smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CCC(=O)N[C@@H]1CCCN(CCn2cccn2)[C@H]1C ZINC001332183314 1149831359 /nfs/dbraw/zinc/83/13/59/1149831359.db2.gz BJPYCYBGHUJELS-JKSUJKDBSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001099199698 782520803 /nfs/dbraw/zinc/52/08/03/782520803.db2.gz OYBWIHITLRHKMC-WMLDXEAASA-N 0 3 312.429 2.298 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](CNCc1cncn1C)C(C)(C)C ZINC001332845391 1149900201 /nfs/dbraw/zinc/90/02/01/1149900201.db2.gz YKPFFAHAJCJPMS-INIZCTEOSA-N 0 3 318.465 2.234 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC001332949317 1149931381 /nfs/dbraw/zinc/93/13/81/1149931381.db2.gz BHCKNVGVRPLWMU-NVXWUHKLSA-N 0 3 306.450 2.208 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC(=C)C)C1 ZINC001333016532 1149959429 /nfs/dbraw/zinc/95/94/29/1149959429.db2.gz YDKIZOWLSFBHLB-STQMWFEESA-N 0 3 320.355 2.134 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001408172895 1165500577 /nfs/dbraw/zinc/50/05/77/1165500577.db2.gz IWSZLRDFUZCIOZ-KGLIPLIRSA-N 0 3 301.862 2.048 20 30 DEEDHN CCN(CC)CC(=O)N[C@@H](C)CCNc1cccc(F)c1C#N ZINC001106341941 782663802 /nfs/dbraw/zinc/66/38/02/782663802.db2.gz KKJXZJSTJDDAMR-ZDUSSCGKSA-N 0 3 320.412 2.346 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)n2cccc2)CC(C)(C)C1 ZINC001089362352 783030591 /nfs/dbraw/zinc/03/05/91/783030591.db2.gz FLKSUUHGMKOADN-HOTGVXAUSA-N 0 3 301.434 2.289 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnn2C(F)F)CC(C)(C)C1 ZINC001089397502 783067365 /nfs/dbraw/zinc/06/73/65/783067365.db2.gz OAIACDJRFPZRRL-GFCCVEGCSA-N 0 3 324.375 2.132 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c2OCCO3)C[C@@H]1C ZINC000947364928 783117555 /nfs/dbraw/zinc/11/75/55/783117555.db2.gz FJWUVPHLYILZRR-KBPBESRZSA-N 0 3 316.401 2.227 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ncccc2F)CC(C)(C)C1 ZINC001089475939 783141307 /nfs/dbraw/zinc/14/13/07/783141307.db2.gz CKLKWNMHQHVLCZ-CQSZACIVSA-N 0 3 317.408 2.003 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cn(CC)nc2C)CC(C)(C)C1 ZINC001089501805 783166887 /nfs/dbraw/zinc/16/68/87/783166887.db2.gz HHZOPBJXEAKZRO-OAHLLOKOSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)C[C@@H]1C ZINC000947543323 783167628 /nfs/dbraw/zinc/16/76/28/783167628.db2.gz SGQYTDACYLKZGJ-BBRMVZONSA-N 0 3 310.401 2.399 20 30 DEEDHN CC[C@@H](C(=O)NCC[C@@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001099350001 783180134 /nfs/dbraw/zinc/18/01/34/783180134.db2.gz QEYPSKIAJFIQLB-WBMJQRKESA-N 0 3 320.412 2.344 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(OC)cs2)C[C@@H]1C ZINC000947606824 783187339 /nfs/dbraw/zinc/18/73/39/783187339.db2.gz GHKNRLYSTCFAEY-STQMWFEESA-N 0 3 306.431 2.363 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2nc(C)oc2C)CC(C)(C)C1 ZINC001089528022 783185065 /nfs/dbraw/zinc/18/50/65/783185065.db2.gz ZGONLZLVTHPDCN-CQSZACIVSA-N 0 3 303.406 2.145 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c[nH]nc32)C[C@@H]1C ZINC000947602086 783186682 /nfs/dbraw/zinc/18/66/82/783186682.db2.gz IQLTZEPFHOFPCQ-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN CCC/C=C/CCN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212241801 783191296 /nfs/dbraw/zinc/19/12/96/783191296.db2.gz ZBSOYGQMMFZNBM-NXVGNOFTSA-N 0 3 306.450 2.208 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)c2c(C)noc2C)C[C@@H]1C ZINC000947639699 783195859 /nfs/dbraw/zinc/19/58/59/783195859.db2.gz WAFKXYAOIABORV-WFASDCNBSA-N 0 3 317.433 2.171 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCOCC2)CC(C)(C)C1 ZINC001089569973 783217743 /nfs/dbraw/zinc/21/77/43/783217743.db2.gz JCCLSZFMURNSDR-WBVHZDCISA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)[C@@H](O)C1 ZINC001090540228 790341171 /nfs/dbraw/zinc/34/11/71/790341171.db2.gz NWKQWSICRWKLJN-HOTGVXAUSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H](O)C1 ZINC001090583281 790369255 /nfs/dbraw/zinc/36/92/55/790369255.db2.gz MXICFLBNWAEUQT-UONOGXRCSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)c(OC)c3)C2)C1 ZINC001073007546 790374661 /nfs/dbraw/zinc/37/46/61/790374661.db2.gz ODAZMAVCVLFOBP-UHFFFAOYSA-N 0 3 304.365 2.168 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 ZINC001073013454 790384774 /nfs/dbraw/zinc/38/47/74/790384774.db2.gz DLINOVBUDQBCNB-LJQANCHMSA-N 0 3 322.452 2.349 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(-c4ncon4)cc3)C2)C1 ZINC001073136096 790479994 /nfs/dbraw/zinc/47/99/94/790479994.db2.gz ZVGMWTZNXBVCRW-UHFFFAOYSA-N 0 3 324.384 2.071 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCNCc1cccnc1OC ZINC001167362785 776951596 /nfs/dbraw/zinc/95/15/96/776951596.db2.gz BCERWMHJKYPSKR-UHFFFAOYSA-N 0 3 305.422 2.288 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CC34CCC4)[C@H]2C1 ZINC001083208211 776975557 /nfs/dbraw/zinc/97/55/57/776975557.db2.gz IETIKCIGAJLUMD-OWCLPIDISA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC001167516073 777287225 /nfs/dbraw/zinc/28/72/25/777287225.db2.gz XHAJDHUUIDUUJS-GXTWGEPZSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CO[C@H](C)CC)C[C@H]1c1ccccc1 ZINC001211574862 777470698 /nfs/dbraw/zinc/47/06/98/777470698.db2.gz OQHMCWXSVMEXCM-BPQIPLTHSA-N 0 3 314.429 2.019 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100644747 777567297 /nfs/dbraw/zinc/56/72/97/777567297.db2.gz GBWDAKFLQZWCIF-ZUEPYMLJSA-N 0 3 322.478 2.433 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3[nH]c(C)cc3C)C(C)(C)[C@H]21 ZINC001087288817 777733787 /nfs/dbraw/zinc/73/37/87/777733787.db2.gz COSBFMZODUVQIT-OIISXLGYSA-N 0 3 313.445 2.484 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)[nH]c3C)C(C)(C)[C@@H]21 ZINC001087305928 777760057 /nfs/dbraw/zinc/76/00/57/777760057.db2.gz AOJCJIFVZIQTBX-DJIMGWMZSA-N 0 3 313.445 2.484 20 30 DEEDHN CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CC#Cc1ccccc1 ZINC001087323079 777788787 /nfs/dbraw/zinc/78/87/87/777788787.db2.gz RJAHGBTWVUDYCO-NMLBUPMWSA-N 0 3 308.425 2.227 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105310100 778438407 /nfs/dbraw/zinc/43/84/07/778438407.db2.gz ORUWIYJBNBZATR-CQSZACIVSA-N 0 3 319.453 2.009 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Cc1c(C)noc1C ZINC001167774215 778490760 /nfs/dbraw/zinc/49/07/60/778490760.db2.gz YYMRPHDWSFYGJP-JTQLQIEISA-N 0 3 313.829 2.318 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001167885494 778747855 /nfs/dbraw/zinc/74/78/55/778747855.db2.gz QIOPRRDBWDSHOS-UHFFFAOYSA-N 0 3 311.813 2.202 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3ccccc3F)C2)C1 ZINC001073421811 790648775 /nfs/dbraw/zinc/64/87/75/790648775.db2.gz LVKFFZARHDZLCX-UHFFFAOYSA-N 0 3 302.393 2.479 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001075621198 778766679 /nfs/dbraw/zinc/76/66/79/778766679.db2.gz RPMGMVXHEROKKN-RRQGHBQHSA-N 0 3 315.392 2.348 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2ccoc2Cl)ccc1F ZINC001126359905 778825638 /nfs/dbraw/zinc/82/56/38/778825638.db2.gz GYYFLLLBYDOYMU-UHFFFAOYSA-N 0 3 321.739 2.463 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCSC)[C@H](OC)C1 ZINC001211831154 778908825 /nfs/dbraw/zinc/90/88/25/778908825.db2.gz PGEFPDJNUWZPMF-HUUCEWRRSA-N 0 3 314.495 2.301 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3Oc4ccccc4[C@H]3C)C2)C1 ZINC001073489431 790688494 /nfs/dbraw/zinc/68/84/94/790688494.db2.gz VUZHUJUHRHRUEP-QAPCUYQASA-N 0 3 324.424 2.109 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@H]1CC ZINC001087591123 779368162 /nfs/dbraw/zinc/36/81/62/779368162.db2.gz PLFREBKEPYIJBO-DZGCQCFKSA-N 0 3 304.438 2.407 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C3CC3)nn2C)[C@H]1CC ZINC001087590413 779368995 /nfs/dbraw/zinc/36/89/95/779368995.db2.gz BQZWGPFCUAGYMP-GOEBONIOSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncc(C)cc2OC)[C@H]1CC ZINC001087605635 779374884 /nfs/dbraw/zinc/37/48/84/779374884.db2.gz NSQMPLOJPKVFDI-LSDHHAIUSA-N 0 3 315.417 2.005 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H]1CC ZINC001087619362 779380925 /nfs/dbraw/zinc/38/09/25/779380925.db2.gz IFQDQJNSMSLXKB-SWLSCSKDSA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@H]1CC ZINC001087660959 779398746 /nfs/dbraw/zinc/39/87/46/779398746.db2.gz LXMJXEJJHMXGAV-LSDHHAIUSA-N 0 3 303.406 2.118 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(CC)nc2C)[C@H]1CC ZINC001087743745 779433927 /nfs/dbraw/zinc/43/39/27/779433927.db2.gz JBPAFOPAXPXWTJ-JKSUJKDBSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1CC ZINC001087785238 779452518 /nfs/dbraw/zinc/45/25/18/779452518.db2.gz YGHPUPVBRFQNCS-CMPLNLGQSA-N 0 3 311.838 2.403 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CN2CCc3ccccc32)[C@H]1CC ZINC001087834233 779475310 /nfs/dbraw/zinc/47/53/10/779475310.db2.gz SIUCNXNYQFGOBU-DLBZAZTESA-N 0 3 313.445 2.204 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001087988981 779617513 /nfs/dbraw/zinc/61/75/13/779617513.db2.gz KHGYCKOCKROEQN-ZNMIVQPWSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001073552937 790721540 /nfs/dbraw/zinc/72/15/40/790721540.db2.gz YVAXMWNQJNWKGW-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112173821 779638012 /nfs/dbraw/zinc/63/80/12/779638012.db2.gz PZNYCIOSGXREGY-JHJVBQTASA-N 0 3 304.356 2.281 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@@H]2C1 ZINC001088083952 779686653 /nfs/dbraw/zinc/68/66/53/779686653.db2.gz QLPYOBFOOSFTKK-KGLIPLIRSA-N 0 3 318.367 2.382 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001088090135 779693549 /nfs/dbraw/zinc/69/35/49/779693549.db2.gz ZCUVLWGHPZTVEO-CVEARBPZSA-N 0 3 316.832 2.296 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC001088117073 779710588 /nfs/dbraw/zinc/71/05/88/779710588.db2.gz FPFPERGEHQSBMC-MSOLQXFVSA-N 0 3 324.424 2.039 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)OC3CCCC3)C[C@@H]2C1 ZINC001088125802 779715778 /nfs/dbraw/zinc/71/57/78/779715778.db2.gz AHWFXXLGUKXVBU-RYRKJORJSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4ccncc4c3)C[C@@H]2C1 ZINC001088161898 779737015 /nfs/dbraw/zinc/73/70/15/779737015.db2.gz PNKLOISZGPLNKS-MJGOQNOKSA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)C[C@@H]2C1 ZINC001088161518 779737160 /nfs/dbraw/zinc/73/71/60/779737160.db2.gz WLJLRDQACUHMAC-IXDOHACOSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3oc(CC)cc3C)C[C@@H]2C1 ZINC001088171585 779754120 /nfs/dbraw/zinc/75/41/20/779754120.db2.gz XCTVFSYWZREXGL-CABCVRRESA-N 0 3 300.402 2.178 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)s3)C[C@@H]2C1 ZINC001088194115 779766016 /nfs/dbraw/zinc/76/60/16/779766016.db2.gz MOWHHWDQHSTVEP-CABCVRRESA-N 0 3 302.443 2.392 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3scnc3Cl)C[C@@H]2C1 ZINC001088203024 779771666 /nfs/dbraw/zinc/77/16/66/779771666.db2.gz HZLOGSBTOAIMDX-NEPJUHHUSA-N 0 3 323.849 2.214 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@]3(C)CCc4ccccc43)C[C@@H]2C1 ZINC001088216445 779777198 /nfs/dbraw/zinc/77/71/98/779777198.db2.gz ITIRLGPVAHCQMD-LQWHRVPQSA-N 0 3 322.452 2.304 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001088232268 779786135 /nfs/dbraw/zinc/78/61/35/779786135.db2.gz MJJXPAFJYDHXCX-FLUNIGMLSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001088233819 779790149 /nfs/dbraw/zinc/79/01/49/779790149.db2.gz ALAYZASVQYSTLD-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001088236033 779793017 /nfs/dbraw/zinc/79/30/17/779793017.db2.gz JMWIQGQKBAIRJL-HOTGVXAUSA-N 0 3 312.429 2.250 20 30 DEEDHN O=C(C#CC1CC1)N1CCCCC[C@H](NCc2cncs2)C1 ZINC001088311199 779934348 /nfs/dbraw/zinc/93/43/48/779934348.db2.gz QTUAISRIWDDTGE-HNNXBMFYSA-N 0 3 317.458 2.417 20 30 DEEDHN C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001088366726 780028642 /nfs/dbraw/zinc/02/86/42/780028642.db2.gz SCFFRUIDCMMMPL-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)[nH]nc1C(C)C)C2 ZINC001098177619 780054927 /nfs/dbraw/zinc/05/49/27/780054927.db2.gz CTENEVJAYKJCSG-KFWWJZLASA-N 0 3 314.433 2.200 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)C2 ZINC001098177619 780054933 /nfs/dbraw/zinc/05/49/33/780054933.db2.gz CTENEVJAYKJCSG-KFWWJZLASA-N 0 3 314.433 2.200 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N1CCCCC[C@H](NCC#N)C1 ZINC001088394433 780069214 /nfs/dbraw/zinc/06/92/14/780069214.db2.gz GLYHHHIMWRQDEM-IRXDYDNUSA-N 0 3 320.481 2.134 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCO[C@H](C)C1 ZINC001168128352 780180879 /nfs/dbraw/zinc/18/08/79/780180879.db2.gz PRPZUAKOBJGYHO-IIAWOOMASA-N 0 3 305.422 2.089 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001073662275 790774347 /nfs/dbraw/zinc/77/43/47/790774347.db2.gz JMPYWKPNJSSCNU-PQUAAJSLSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc4ccccc4c(=O)[nH]3)[C@@H]2C1 ZINC001075882207 780284080 /nfs/dbraw/zinc/28/40/80/780284080.db2.gz AHXPSEUDFXECBY-WMLDXEAASA-N 0 3 323.396 2.273 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)nc1 ZINC001144160940 790783528 /nfs/dbraw/zinc/78/35/28/790783528.db2.gz ZISNUXHSMUWQRR-PHZGNYQRSA-N 0 3 324.428 2.080 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C1 ZINC001075909969 780560838 /nfs/dbraw/zinc/56/08/38/780560838.db2.gz FSIQBGNELYLMKX-GOEBONIOSA-N 0 3 310.401 2.285 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2C2CC2)[C@H]1C ZINC001088596624 780565442 /nfs/dbraw/zinc/56/54/42/780565442.db2.gz JVWYRYGILYNYON-DOMZBBRYSA-N 0 3 302.422 2.066 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(C)c(Cl)cn2)[C@H]1C ZINC001088658580 780695736 /nfs/dbraw/zinc/69/57/36/780695736.db2.gz JMMADQBNSIYFRN-DOMZBBRYSA-N 0 3 307.825 2.351 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CCOC)[C@@H]1C ZINC001088671924 780704977 /nfs/dbraw/zinc/70/49/77/780704977.db2.gz DAQCFUILTKRQGN-ZBFHGGJFSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CCN1CC[C@]2(NC(=O)c3cnns3)CCC[C@H]12 ZINC000989975730 780850066 /nfs/dbraw/zinc/85/00/66/780850066.db2.gz AYQFFGBAIWFORM-DZGCQCFKSA-N 0 3 306.435 2.231 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(COC)c2)[C@H]1C ZINC001088713519 780898979 /nfs/dbraw/zinc/89/89/79/780898979.db2.gz RWBNBJRPLHBQJJ-PBHICJAKSA-N 0 3 300.402 2.049 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001073752304 790843462 /nfs/dbraw/zinc/84/34/62/790843462.db2.gz UPNQKPFTJZHRKE-SJLPKXTDSA-N 0 3 314.429 2.110 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3)[C@@H]2C1 ZINC001076011496 781078384 /nfs/dbraw/zinc/07/83/84/781078384.db2.gz NIQCOQFMTQSEIB-DOTOQJQBSA-N 0 3 300.377 2.304 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3cccc(OC)c3)[C@@H]2C1 ZINC001076031277 781085458 /nfs/dbraw/zinc/08/54/58/781085458.db2.gz YOAFESBRVWKNIM-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3C)[C@@H]2C1 ZINC001076199530 781163866 /nfs/dbraw/zinc/16/38/66/781163866.db2.gz PRRZHVNARZKRIM-WMLDXEAASA-N 0 3 300.402 2.336 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(F)cncc2F)C1 ZINC001091051671 790860385 /nfs/dbraw/zinc/86/03/85/790860385.db2.gz RLYKCSVVEFRLJM-UHFFFAOYSA-N 0 3 315.751 2.210 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001076362832 781233114 /nfs/dbraw/zinc/23/31/14/781233114.db2.gz DKHNIJFSXRZUKU-JKSUJKDBSA-N 0 3 300.402 2.336 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn4ccccc34)[C@@H]2C1 ZINC001076367974 781236599 /nfs/dbraw/zinc/23/65/99/781236599.db2.gz HCMQCGFXJYRHMF-WMLDXEAASA-N 0 3 310.401 2.057 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3coc(CCC)n3)[C@@H]2C1 ZINC001076457889 781270797 /nfs/dbraw/zinc/27/07/97/781270797.db2.gz WBYZKGFEHYMQQT-DZGCQCFKSA-N 0 3 303.406 2.350 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076628758 781330840 /nfs/dbraw/zinc/33/08/40/781330840.db2.gz BMDAUBKLUWAECK-YESZJQIVSA-N 0 3 316.449 2.170 20 30 DEEDHN C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CN(CC)CC ZINC001076666394 781343104 /nfs/dbraw/zinc/34/31/04/781343104.db2.gz KSYXZZMGDTTZNY-HNNXBMFYSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001091057357 790877816 /nfs/dbraw/zinc/87/78/16/790877816.db2.gz KPIVZENFACLCDH-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001076993811 781446858 /nfs/dbraw/zinc/44/68/58/781446858.db2.gz YRZAZSQPUAAXCM-ARFHVFGLSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001077050552 781463636 /nfs/dbraw/zinc/46/36/36/781463636.db2.gz RFDZJBCWQRIIAK-HUUCEWRRSA-N 0 3 314.385 2.092 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@H]2CCC[C@H](F)C2)ccc1F ZINC001126961421 781500685 /nfs/dbraw/zinc/50/06/85/781500685.db2.gz WGJRPXNNCZSNHJ-ZFWWWQNUSA-N 0 3 321.371 2.431 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc(OC)cn3)C2)C1=O ZINC001144423435 790900761 /nfs/dbraw/zinc/90/07/61/790900761.db2.gz JWHBPWXUUUAPSL-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1OC ZINC001212146223 781744310 /nfs/dbraw/zinc/74/43/10/781744310.db2.gz MCRYIFHQXJTJKZ-HZPDHXFCSA-N 0 3 312.429 2.135 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001060265286 781754137 /nfs/dbraw/zinc/75/41/37/781754137.db2.gz LDYZKWFFVRDYDT-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000947809777 783235437 /nfs/dbraw/zinc/23/54/37/783235437.db2.gz FVULKKAXVOWLNB-UONOGXRCSA-N 0 3 318.465 2.486 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3c2ccn3C)C[C@H]1C ZINC000947815672 783237230 /nfs/dbraw/zinc/23/72/30/783237230.db2.gz VYSJCWDOMLCREQ-HUUCEWRRSA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(N(C)C)c2)C[C@@H]1C ZINC000947971941 783280973 /nfs/dbraw/zinc/28/09/73/783280973.db2.gz VXLAVTHXZVVFFK-RDJZCZTQSA-N 0 3 313.445 2.359 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001091140211 790928493 /nfs/dbraw/zinc/92/84/93/790928493.db2.gz LWNSXSRKHXPPFJ-MNSOJDNVSA-N 0 3 312.841 2.183 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnoc1CC ZINC001089706350 783368467 /nfs/dbraw/zinc/36/84/67/783368467.db2.gz RBBQOTZQZYHQOA-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccon2)C1 ZINC001089779169 783429659 /nfs/dbraw/zinc/42/96/59/783429659.db2.gz PVLZSHJTDNTYDM-ABHRYQDASA-N 0 3 321.808 2.210 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnn(C3CCC3)c2)CC1 ZINC000948374277 783443632 /nfs/dbraw/zinc/44/36/32/783443632.db2.gz UGJVMXXYRTVXPD-INIZCTEOSA-N 0 3 314.433 2.168 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(OC)ns2)CC1 ZINC000948384325 783447743 /nfs/dbraw/zinc/44/77/43/783447743.db2.gz AUSGQVVGSATJFS-CYBMUJFWSA-N 0 3 321.446 2.102 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2scnc2CC)CC1 ZINC000948427221 783462911 /nfs/dbraw/zinc/46/29/11/783462911.db2.gz AQLLXCLTEYZKNF-CYBMUJFWSA-N 0 3 305.447 2.265 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2nc(C)sc2C)CC1 ZINC000948543443 783494955 /nfs/dbraw/zinc/49/49/55/783494955.db2.gz ZQYOMTSBPGTPKG-CQSZACIVSA-N 0 3 305.447 2.320 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2coc(OCC)n2)CC1 ZINC000948587170 783514364 /nfs/dbraw/zinc/51/43/64/783514364.db2.gz SCUVQWSBMFQOAM-AWEZNQCLSA-N 0 3 319.405 2.023 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001073904409 790948587 /nfs/dbraw/zinc/94/85/87/790948587.db2.gz DFCHALKXNISDBX-ZGUYJTEBSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ncc3ccccn32)CC1 ZINC000948611730 783527284 /nfs/dbraw/zinc/52/72/84/783527284.db2.gz BNVBPRCFJZHDDT-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(C)onc2C2CC2)CC1 ZINC000948621067 783534613 /nfs/dbraw/zinc/53/46/13/783534613.db2.gz LKSNRVAUKFRRCQ-OAHLLOKOSA-N 0 3 315.417 2.420 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001066224648 783570353 /nfs/dbraw/zinc/57/03/53/783570353.db2.gz MRBSRUACLZOMAA-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC000966134684 783577171 /nfs/dbraw/zinc/57/71/71/783577171.db2.gz RKGXWIOSYLYRNL-ZBFHGGJFSA-N 0 3 316.449 2.072 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC001085338789 783644768 /nfs/dbraw/zinc/64/47/68/783644768.db2.gz BUTNPNFBVQWVQT-AAVRWANBSA-N 0 3 300.830 2.323 20 30 DEEDHN C=CCN1CC[C@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966488466 783671935 /nfs/dbraw/zinc/67/19/35/783671935.db2.gz HQQLGGKZVJAEGZ-DZGCQCFKSA-N 0 3 321.490 2.436 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966569501 783698667 /nfs/dbraw/zinc/69/86/67/783698667.db2.gz UNHVIFPDTBIAQO-SWLSCSKDSA-N 0 3 321.371 2.483 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC000966874268 783787660 /nfs/dbraw/zinc/78/76/60/783787660.db2.gz FKDQLWAHEQCTNY-DOTOQJQBSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966878191 783790657 /nfs/dbraw/zinc/79/06/57/783790657.db2.gz BBKRDTFUXYRANO-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2COC)C1 ZINC000966915064 783817979 /nfs/dbraw/zinc/81/79/79/783817979.db2.gz PBHAPMBZCFOZSN-HIFRSBDPSA-N 0 3 320.458 2.358 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2cccnc2n1 ZINC001085607320 783877682 /nfs/dbraw/zinc/87/76/82/783877682.db2.gz MOYTXGQGMGHUTI-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@H](C)C(F)(F)F ZINC001154973247 783925741 /nfs/dbraw/zinc/92/57/41/783925741.db2.gz QHLAPUAWJGIBDO-QWHCGFSZSA-N 0 3 322.371 2.051 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1CC ZINC001085658824 783933728 /nfs/dbraw/zinc/93/37/28/783933728.db2.gz BWERUAOBCLGSCR-AWEZNQCLSA-N 0 3 304.438 2.095 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001085671149 783951798 /nfs/dbraw/zinc/95/17/98/783951798.db2.gz PQGFUTONSWLQRE-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cncc(OC)c1C ZINC001085672047 783954166 /nfs/dbraw/zinc/95/41/66/783954166.db2.gz NTELHOBANHJMGV-CQSZACIVSA-N 0 3 303.406 2.121 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967415124 783989310 /nfs/dbraw/zinc/98/93/10/783989310.db2.gz PBLGTKJTYCYSTB-DYVFJYSZSA-N 0 3 313.445 2.470 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001085710907 783998322 /nfs/dbraw/zinc/99/83/22/783998322.db2.gz VMPLJMGLUDNZCP-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nncc2ccccc21 ZINC001085717675 784000977 /nfs/dbraw/zinc/00/09/77/784000977.db2.gz UDPGBEPEHAAUGM-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)[C@@H](C)C1 ZINC001073976757 790994450 /nfs/dbraw/zinc/99/44/50/790994450.db2.gz GFVWNLLCCJRAIC-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1OC ZINC001085859021 784146586 /nfs/dbraw/zinc/14/65/86/784146586.db2.gz OHKXAYYYHDQWSQ-CQSZACIVSA-N 0 3 303.406 2.121 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCc2ccccc2O1 ZINC001168771784 784160766 /nfs/dbraw/zinc/16/07/66/784160766.db2.gz MNUWFEIZYONYPR-OAHLLOKOSA-N 0 3 308.809 2.229 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001085872908 784161561 /nfs/dbraw/zinc/16/15/61/784161561.db2.gz KQYZMFLIRHBIKV-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001066341733 784221469 /nfs/dbraw/zinc/22/14/69/784221469.db2.gz ZCYOWDAZJMUMIB-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncoc1-c1ccon1 ZINC001085929557 784226187 /nfs/dbraw/zinc/22/61/87/784226187.db2.gz ZFSUVHIVMQSCRZ-LBPRGKRZSA-N 0 3 316.361 2.052 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001085981588 784281668 /nfs/dbraw/zinc/28/16/68/784281668.db2.gz PKVCLFTXOORLPP-GOEBONIOSA-N 0 3 318.392 2.238 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001066357985 784304003 /nfs/dbraw/zinc/30/40/03/784304003.db2.gz AOPFJSZICWILBL-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC000968346539 784306592 /nfs/dbraw/zinc/30/65/92/784306592.db2.gz WLTMKNMBNYHRCB-QAPCUYQASA-N 0 3 313.445 2.036 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001086017405 784324746 /nfs/dbraw/zinc/32/47/46/784324746.db2.gz XIMXVFIILAYJQX-DDUYRFODSA-N 0 3 315.392 2.338 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001086016702 784331137 /nfs/dbraw/zinc/33/11/37/784331137.db2.gz DMBXZSZUOSEAHS-DDUYRFODSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC000968369241 784332147 /nfs/dbraw/zinc/33/21/47/784332147.db2.gz HDPUTBWSBHPRHX-WCQYABFASA-N 0 3 324.856 2.398 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391698 784350924 /nfs/dbraw/zinc/35/09/24/784350924.db2.gz 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C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)C(C)C)C1 ZINC001130431474 787391533 /nfs/dbraw/zinc/39/15/33/787391533.db2.gz YGKQKXAJTBQIBA-ZIAGYGMSSA-N 0 3 304.438 2.293 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)ccc1F ZINC001130526035 787415346 /nfs/dbraw/zinc/41/53/46/787415346.db2.gz QEECIJORQTWXSF-YCPHGPKFSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cc1C)C2 ZINC001095992011 787438770 /nfs/dbraw/zinc/43/87/70/787438770.db2.gz APUCATATYJACIA-SNPRPXQTSA-N 0 3 301.390 2.007 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccco3)n[nH]1)C2 ZINC001096053444 787478410 /nfs/dbraw/zinc/47/84/10/787478410.db2.gz QPOTWAGKUWPGLZ-WWGRRREGSA-N 0 3 324.384 2.028 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C(C)C)c1C)C2 ZINC001096255364 787598272 /nfs/dbraw/zinc/59/82/72/787598272.db2.gz JNOQMKQHMHDGLA-ILXRZTDVSA-N 0 3 317.437 2.079 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2cccc(C#N)c2)nc1C ZINC001131389079 787610627 /nfs/dbraw/zinc/61/06/27/787610627.db2.gz NRWSUAAKONIUKV-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CCC1CCCCCC1 ZINC001131436651 787623515 /nfs/dbraw/zinc/62/35/15/787623515.db2.gz ORKJAXILQRGEST-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001096432640 787665202 /nfs/dbraw/zinc/66/52/02/787665202.db2.gz ZBWPJIVYWSXGTJ-MVJTYMMSSA-N 0 3 311.429 2.094 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCCC1CC1)C[C@@H](C)O2 ZINC001131672955 787677456 /nfs/dbraw/zinc/67/74/56/787677456.db2.gz CWBOPFPIHXGRKZ-VQIMIIECSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc(C)n1)C2 ZINC001096500401 787700957 /nfs/dbraw/zinc/70/09/57/787700957.db2.gz JBACUCIXQYUSSP-ILXRZTDVSA-N 0 3 305.447 2.292 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cccc(C)n2)CC[C@@H]1C ZINC001131817320 787758793 /nfs/dbraw/zinc/75/87/93/787758793.db2.gz LSLAEVDDKOTNFG-HOTGVXAUSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CC(F)(F)F)CC[C@@H]1C ZINC001131891062 787785605 /nfs/dbraw/zinc/78/56/05/787785605.db2.gz DJWKELVOLQEANN-NWDGAFQWSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCC=C)C1 ZINC001131937871 787822824 /nfs/dbraw/zinc/82/28/24/787822824.db2.gz ATJBKVOKLFTVGD-DLBZAZTESA-N 0 3 324.465 2.141 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132028875 787902563 /nfs/dbraw/zinc/90/25/63/787902563.db2.gz CPPANZOAXJGGIO-SJLPKXTDSA-N 0 3 314.429 2.196 20 30 DEEDHN CCCN(C)CC(=O)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001096951618 787925978 /nfs/dbraw/zinc/92/59/78/787925978.db2.gz WNBKLXZQFGMSKU-ZDUSSCGKSA-N 0 3 318.396 2.052 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150770 787945181 /nfs/dbraw/zinc/94/51/81/787945181.db2.gz WIALXBLERWUKRW-HZPDHXFCSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2cncc(OC)c2)CC[C@@H]1C ZINC001132164801 787954613 /nfs/dbraw/zinc/95/46/13/787954613.db2.gz JZOQFIRRFYQFTE-GOEBONIOSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132227417 787981241 /nfs/dbraw/zinc/98/12/41/787981241.db2.gz DANTXCZLRVYYJZ-HUUCEWRRSA-N 0 3 304.438 2.064 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(F)cc1F)C2 ZINC001097112943 787983050 /nfs/dbraw/zinc/98/30/50/787983050.db2.gz KSXWOBRZQDSKDW-OIISXLGYSA-N 0 3 318.367 2.252 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1Cc3ccccc3O1)C2 ZINC001097127154 787987834 /nfs/dbraw/zinc/98/78/34/787987834.db2.gz QUGCTSHFYMDYEU-XDNAFOTISA-N 0 3 324.424 2.125 20 30 DEEDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001097184604 788012542 /nfs/dbraw/zinc/01/25/42/788012542.db2.gz IBQWUXJMDXVQIN-BETUJISGSA-N 0 3 318.396 2.098 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(=O)NC(C)C)CC[C@@H]1C ZINC001132430276 788070395 /nfs/dbraw/zinc/07/03/95/788070395.db2.gz VTLJKPNZLQZWFH-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccccc2C)CC[C@H]1C ZINC001132458301 788077077 /nfs/dbraw/zinc/07/70/77/788077077.db2.gz SUQZEKIBIPUUSH-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c3c[nH]nc3ccc1C)C2 ZINC001097386216 788079830 /nfs/dbraw/zinc/07/98/30/788079830.db2.gz VTLAIMMXZFEDIC-XYPHTWIQSA-N 0 3 322.412 2.230 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1COC)C2 ZINC001097420799 788094804 /nfs/dbraw/zinc/09/48/04/788094804.db2.gz TVCRCEUYWIAUGD-NXHRZFHOSA-N 0 3 312.413 2.191 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3ccc(C)cc3n1)C2 ZINC001097461477 788106125 /nfs/dbraw/zinc/10/61/25/788106125.db2.gz XMVUUDFPFAJTEO-INMHGKMJSA-N 0 3 322.412 2.001 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(C)C(C)C)CC[C@H]1C ZINC001132521257 788117340 /nfs/dbraw/zinc/11/73/40/788117340.db2.gz AKNXIQAQYZRDPN-ZIAGYGMSSA-N 0 3 301.862 2.048 20 30 DEEDHN C#CCN1CCC[C@H](N(Cc2ccccn2)C(=O)C(F)F)CC1 ZINC001132549559 788127242 /nfs/dbraw/zinc/12/72/42/788127242.db2.gz UXPVKQUSLSZWGP-HNNXBMFYSA-N 0 3 321.371 2.163 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132569180 788133691 /nfs/dbraw/zinc/13/36/91/788133691.db2.gz MGUOHNSCJOFDGX-CHWSQXEVSA-N 0 3 303.381 2.361 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cn(C(C)C)nc1C ZINC001132572978 788135218 /nfs/dbraw/zinc/13/52/18/788135218.db2.gz HXVHHDDEBUDYLW-KGLIPLIRSA-N 0 3 306.454 2.436 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CCOCC1)C2 ZINC001097582463 788144330 /nfs/dbraw/zinc/14/43/30/788144330.db2.gz LFOWSCOYPCGWLG-ZACQAIPSSA-N 0 3 318.461 2.491 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132653492 788152618 /nfs/dbraw/zinc/15/26/18/788152618.db2.gz MWJKYPDBUAEEIQ-AWEZNQCLSA-N 0 3 318.417 2.266 20 30 DEEDHN CCOC1CC(CC(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001132750942 788183308 /nfs/dbraw/zinc/18/33/08/788183308.db2.gz RTFUEWRUXKXQGS-UHFFFAOYSA-N 0 3 321.446 2.031 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](C)[C@H](CNCc2nccs2)C1 ZINC001132810506 788199054 /nfs/dbraw/zinc/19/90/54/788199054.db2.gz XSTUTQKPCARCGT-LSDHHAIUSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C1CC1)C2 ZINC001097842963 788247461 /nfs/dbraw/zinc/24/74/61/788247461.db2.gz CWGJEGQNIXDIEK-MCIONIFRSA-N 0 3 301.390 2.463 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cccc(F)c2F)c1 ZINC001133036206 788257102 /nfs/dbraw/zinc/25/71/02/788257102.db2.gz HNLJESASQOBFPR-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2cnns2)C1 ZINC001133073375 788268082 /nfs/dbraw/zinc/26/80/82/788268082.db2.gz UGFWRDSGIKJOPK-KBPBESRZSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccc(C)o1)C2 ZINC001097993144 788315108 /nfs/dbraw/zinc/31/51/08/788315108.db2.gz HAPWAXHDBNMPET-FPCVCCKLSA-N 0 3 300.402 2.436 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(CC)oc1C)C2 ZINC001098015506 788331233 /nfs/dbraw/zinc/33/12/33/788331233.db2.gz XTHKNHBSLWTFNY-MCIONIFRSA-N 0 3 303.406 2.457 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001133380355 788392402 /nfs/dbraw/zinc/39/24/02/788392402.db2.gz DUJIXBGPILQSMB-GOSISDBHSA-N 0 3 318.417 2.266 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001133380156 788392814 /nfs/dbraw/zinc/39/28/14/788392814.db2.gz ABFRVAJGUCCVGT-QGZVFWFLSA-N 0 3 306.454 2.446 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)COC(C)C ZINC001133853038 788634780 /nfs/dbraw/zinc/63/47/80/788634780.db2.gz KUFYEDQAZBLQEK-NWDGAFQWSA-N 0 3 321.259 2.193 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(Cl)n1C ZINC001133889437 788659620 /nfs/dbraw/zinc/65/96/20/788659620.db2.gz WOKGWUGYFXQJPK-NEPJUHHUSA-N 0 3 312.845 2.413 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134018929 788715252 /nfs/dbraw/zinc/71/52/52/788715252.db2.gz QPDZAROIBSPIRN-KGLIPLIRSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1snnc1C ZINC001134118426 788769534 /nfs/dbraw/zinc/76/95/34/788769534.db2.gz BTSRZWSLDHOTQP-CHWSQXEVSA-N 0 3 322.478 2.413 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1cncnc1)NCc1ccccc1C#N ZINC001134151744 788776804 /nfs/dbraw/zinc/77/68/04/788776804.db2.gz ITWAQPKSYYOTNV-KGLIPLIRSA-N 0 3 323.400 2.035 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001134204996 788798643 /nfs/dbraw/zinc/79/86/43/788798643.db2.gz GMOJWYJEPZNWBW-QWHCGFSZSA-N 0 3 305.422 2.468 20 30 DEEDHN Cc1nnsc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328973 788875465 /nfs/dbraw/zinc/87/54/65/788875465.db2.gz HZRCVJIMDWWYQY-RYUDHWBXSA-N 0 3 322.478 2.269 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(F)c(C#N)c2)c(C)[nH]1 ZINC001134423842 788914740 /nfs/dbraw/zinc/91/47/40/788914740.db2.gz ZWBPFLBCRUWPBS-UHFFFAOYSA-N 0 3 314.364 2.162 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H](F)c2ccccc2)c1 ZINC001134437682 788933688 /nfs/dbraw/zinc/93/36/88/788933688.db2.gz YZDCVGDTKTXEJZ-QGZVFWFLSA-N 0 3 311.360 2.475 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001134454028 788940160 /nfs/dbraw/zinc/94/01/60/788940160.db2.gz PPGYXDIIDGYYGG-KGLIPLIRSA-N 0 3 306.454 2.395 20 30 DEEDHN COCC#CCNCCNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001134916833 789131499 /nfs/dbraw/zinc/13/14/99/789131499.db2.gz FHOIYFXYHSLEFQ-GOSISDBHSA-N 0 3 316.445 2.172 20 30 DEEDHN C[C@H](Cc1ccco1)C(=O)NCCNCc1ccc(C#N)s1 ZINC001135182911 789233963 /nfs/dbraw/zinc/23/39/63/789233963.db2.gz HJPPWMZUIUDDJA-GFCCVEGCSA-N 0 3 317.414 2.297 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)C[C@H](C)NCc2nccn2C)cc1 ZINC001135185111 789236486 /nfs/dbraw/zinc/23/64/86/789236486.db2.gz UJFHRDKXJZFVBB-LSDHHAIUSA-N 0 3 324.428 2.088 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cncc(OC)n1 ZINC001135236525 789254770 /nfs/dbraw/zinc/25/47/70/789254770.db2.gz UDESUXBMBFAEDF-STQMWFEESA-N 0 3 320.437 2.070 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)cn1 ZINC001135230977 789260216 /nfs/dbraw/zinc/26/02/16/789260216.db2.gz UQXVNVOKNOZDCX-GJZGRUSLSA-N 0 3 316.449 2.352 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001135357479 789298113 /nfs/dbraw/zinc/29/81/13/789298113.db2.gz DAKRHTDDFHZCBE-KGLIPLIRSA-N 0 3 306.454 2.458 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2C=CC=CC=C2)C1 ZINC001070409800 789314858 /nfs/dbraw/zinc/31/48/58/789314858.db2.gz MQECEOUOCLXQCQ-MRXNPFEDSA-N 0 3 324.428 2.300 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2ccn(C)n2)C1 ZINC001135422194 789344769 /nfs/dbraw/zinc/34/47/69/789344769.db2.gz GAUVYSAJAZPGFU-KGLIPLIRSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001070794534 789458597 /nfs/dbraw/zinc/45/85/97/789458597.db2.gz QHLSFKLQCQLWIV-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001070876857 789472762 /nfs/dbraw/zinc/47/27/62/789472762.db2.gz TYCLHJWWVROEPB-WBVHZDCISA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccoc1C)C[C@@H](C)O2 ZINC001071129748 789544074 /nfs/dbraw/zinc/54/40/74/789544074.db2.gz QRVHAUQKVQXJEQ-KDOFPFPSSA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)c1ccsc1)C[C@@H](C)O2 ZINC001071130207 789544339 /nfs/dbraw/zinc/54/43/39/789544339.db2.gz XXBKTKZTUWONRO-PBHICJAKSA-N 0 3 318.442 2.077 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001071138093 789553329 /nfs/dbraw/zinc/55/33/29/789553329.db2.gz WOENTUQRAURVOS-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCC1CCC1)C[C@H](C)O2 ZINC001071151425 789560433 /nfs/dbraw/zinc/56/04/33/789560433.db2.gz HXJAZADPVPGOEY-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@H](C)O2 ZINC001071154776 789562257 /nfs/dbraw/zinc/56/22/57/789562257.db2.gz PLQMJANVMMYVJN-KBXCAEBGSA-N 0 3 317.433 2.205 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@@H](C)O2 ZINC001071154777 789562686 /nfs/dbraw/zinc/56/26/86/789562686.db2.gz PLQMJANVMMYVJN-KDOFPFPSSA-N 0 3 317.433 2.205 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1=CCCC1)C[C@H](C)O2 ZINC001071156914 789564204 /nfs/dbraw/zinc/56/42/04/789564204.db2.gz OIYOLEIJFGWVRK-YJBOKZPZSA-N 0 3 304.434 2.365 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CCCc2cccnc2)c1 ZINC001135936395 789566414 /nfs/dbraw/zinc/56/64/14/789566414.db2.gz DPXIAQOUEQAMMG-UHFFFAOYSA-N 0 3 322.412 2.182 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001100224739 789576107 /nfs/dbraw/zinc/57/61/07/789576107.db2.gz YIVPPGBIBRCTAF-ZBOXLXRLSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CF)CCC1)C[C@H](C)O2 ZINC001071210013 789595261 /nfs/dbraw/zinc/59/52/61/789595261.db2.gz TTZNNSQRJZQUAH-MAUKXSAKSA-N 0 3 324.440 2.394 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)CC[C@H]1C ZINC001071540894 789768089 /nfs/dbraw/zinc/76/80/89/789768089.db2.gz XQLODGKQYDFUMY-YPMHNXCESA-N 0 3 324.375 2.193 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)CC[C@H]1C ZINC001071543172 789769573 /nfs/dbraw/zinc/76/95/73/789769573.db2.gz KMJPWBHGKUDXBR-OCCSQVGLSA-N 0 3 313.405 2.117 20 30 DEEDHN 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C=C(C)CN1C[C@H](NC(=O)Cc2c(C)noc2C)CC[C@@H]1C ZINC001072066940 790039385 /nfs/dbraw/zinc/03/93/85/790039385.db2.gz PISZIUPWGURWEO-SWLSCSKDSA-N 0 3 305.422 2.379 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ncc3n2CCCC3)CC[C@@H]1C ZINC001072088638 790048312 /nfs/dbraw/zinc/04/83/12/790048312.db2.gz NYIBFHKKGLCQHD-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001072431154 790143039 /nfs/dbraw/zinc/14/30/39/790143039.db2.gz GVYFIRSCNAPOSO-YOEHRIQHSA-N 0 3 309.413 2.249 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3CCC[C@H](OC)C3)C2)C1 ZINC001072805975 790252686 /nfs/dbraw/zinc/25/26/86/790252686.db2.gz WDKVWFOFKRXOMF-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN COc1ccc(NC(=N)c2ccc(C(N)=O)cc2)c(C)c1OC ZINC001171255912 791164167 /nfs/dbraw/zinc/16/41/67/791164167.db2.gz BOSXCPQXZWKJNM-UHFFFAOYSA-N 0 3 313.357 2.148 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)C[C@@H]1C ZINC001075004160 791426479 /nfs/dbraw/zinc/42/64/79/791426479.db2.gz 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C#CCN1C[C@@H]2CN(C(=O)c3cncc4ccccc43)C[C@]2(C)C1 ZINC001092298577 791972160 /nfs/dbraw/zinc/97/21/60/791972160.db2.gz GIKXXYKJYKRCDT-UZLBHIALSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001098950158 791998506 /nfs/dbraw/zinc/99/85/06/791998506.db2.gz VFPPCBZXIJHYOQ-FCEWJHQRSA-N 0 3 318.461 2.186 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001098992439 792021587 /nfs/dbraw/zinc/02/15/87/792021587.db2.gz ASSRMOJWNHQYFF-OAHLLOKOSA-N 0 3 304.438 2.135 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001099061362 792069774 /nfs/dbraw/zinc/06/97/74/792069774.db2.gz ZPSXPJPFTHDOGS-YOEHRIQHSA-N 0 3 302.422 2.234 20 30 DEEDHN C[C@@H](O)CN1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099069679 792074173 /nfs/dbraw/zinc/07/41/73/792074173.db2.gz LAERFBLRCOAPOQ-CABCVRRESA-N 0 3 308.466 2.024 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3nccnc32)C1 ZINC001099094469 792087781 /nfs/dbraw/zinc/08/77/81/792087781.db2.gz 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C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100645136 792765611 /nfs/dbraw/zinc/76/56/11/792765611.db2.gz VOWGWDPTLJTBML-JMLCCBQJSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnc4[nH]ccc4c3)CCC[C@@H]12 ZINC001094440531 792923894 /nfs/dbraw/zinc/92/38/94/792923894.db2.gz SFXULXLEDBZQDQ-VQIMIIECSA-N 0 3 322.412 2.122 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12 ZINC001094455358 792931219 /nfs/dbraw/zinc/93/12/19/792931219.db2.gz XVYXUBVEOOLVIT-IEBWSBKVSA-N 0 3 311.429 2.306 20 30 DEEDHN C=C(C)CN1CC[C@@H](Oc2ccnc(CNC(=O)C(C)C)c2)C1 ZINC001101091226 793013221 /nfs/dbraw/zinc/01/32/21/793013221.db2.gz XRTYZNGIEWXUGB-QGZVFWFLSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H](C)CC)c2)C1 ZINC001101091299 793013385 /nfs/dbraw/zinc/01/33/85/793013385.db2.gz ZPDINBHOPJAQLB-WMLDXEAASA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101253063 793086690 /nfs/dbraw/zinc/08/66/90/793086690.db2.gz CDZUQHZOTSSRRH-AEFFLSMTSA-N 0 3 316.449 2.057 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1)OCC ZINC001101257217 793089184 /nfs/dbraw/zinc/08/91/84/793089184.db2.gz LARKGMGUBYKADK-AOIWGVFYSA-N 0 3 318.461 2.161 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CC(F)F)C[C@]2(C)C1 ZINC001101264620 793090004 /nfs/dbraw/zinc/09/00/04/793090004.db2.gz OHTLMGYIQPYVIJ-CPUCHLNUSA-N 0 3 312.404 2.471 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-c2ncon2)cc1 ZINC001171535143 793110602 /nfs/dbraw/zinc/11/06/02/793110602.db2.gz FTYUPIRTMDBWMY-UHFFFAOYSA-N 0 3 320.780 2.199 20 30 DEEDHN C#Cc1ccc(CN[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171691615 793191424 /nfs/dbraw/zinc/19/14/24/793191424.db2.gz SZLGZPUUKJCDGO-HNNXBMFYSA-N 0 3 314.385 2.294 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@@H](NC(=O)CC)c1nccn12 ZINC001101599861 793262765 /nfs/dbraw/zinc/26/27/65/793262765.db2.gz YTCZVFDJHDDBOA-UONOGXRCSA-N 0 3 302.422 2.220 20 30 DEEDHN CCC(=O)NC[C@@H]1CN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC001101659173 793298477 /nfs/dbraw/zinc/29/84/77/793298477.db2.gz AORMQWWOPTWEOO-CZUORRHYSA-N 0 3 315.417 2.161 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001101794959 793379861 /nfs/dbraw/zinc/37/98/61/793379861.db2.gz HNEGOFWEULDYHJ-XQIWKARSSA-N 0 3 314.857 2.404 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101794958 793380459 /nfs/dbraw/zinc/38/04/59/793380459.db2.gz HNEGOFWEULDYHJ-VNOZKIMMSA-N 0 3 314.857 2.404 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001172304916 793393896 /nfs/dbraw/zinc/39/38/96/793393896.db2.gz BJMKCMBVUZXQPD-APWZRJJASA-N 0 3 313.445 2.286 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@]2(C)CC=CCC2)[C@H](C)C1 ZINC001101997983 793474272 /nfs/dbraw/zinc/47/42/72/793474272.db2.gz PLBUBMZYCUEMPS-ZHALLVOQSA-N 0 3 318.461 2.067 20 30 DEEDHN CCCN(CCC#N)C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172894983 793528725 /nfs/dbraw/zinc/52/87/25/793528725.db2.gz DZTRXHNCTWPYOQ-UHFFFAOYSA-N 0 3 309.454 2.418 20 30 DEEDHN C[C@@H](N)c1ccn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172975845 793548599 /nfs/dbraw/zinc/54/85/99/793548599.db2.gz KEGRAFPOQJMRNB-UPJWGTAASA-N 0 3 319.409 2.367 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150140692 793615722 /nfs/dbraw/zinc/61/57/22/793615722.db2.gz VDXQUCOZHKVUKJ-CABCVRRESA-N 0 3 300.418 2.155 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001102485847 793629726 /nfs/dbraw/zinc/62/97/26/793629726.db2.gz GHQOQBRFUAYHGX-GVDBMIGSSA-N 0 3 308.466 2.003 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001102785819 793755849 /nfs/dbraw/zinc/75/58/49/793755849.db2.gz MXXPBIZXNUNPGR-ZMSDIMECSA-N 0 3 324.428 2.292 20 30 DEEDHN CCCN(C)CC(=O)NC[C@@H](CC)Nc1cccc(F)c1C#N ZINC001103148920 793958115 /nfs/dbraw/zinc/95/81/15/793958115.db2.gz MUFRNIQBPBRXQP-CYBMUJFWSA-N 0 3 320.412 2.346 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2[nH]cnc2C)C1 ZINC001103787873 794223781 /nfs/dbraw/zinc/22/37/81/794223781.db2.gz LXZKYHJMYYELCZ-ZWNOBZJWSA-N 0 3 310.829 2.158 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncc(F)c1)C2 ZINC001111516188 794432311 /nfs/dbraw/zinc/43/23/11/794432311.db2.gz GMHOZAZTPOZCIB-ZACQAIPSSA-N 0 3 317.408 2.451 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccoc2)C1 ZINC001111691523 794454641 /nfs/dbraw/zinc/45/46/41/794454641.db2.gz QYYZPNWBEYULAN-WMZOPIPTSA-N 0 3 300.402 2.206 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CCSCC)C[C@H]1C(F)(F)F ZINC001112055114 794549676 /nfs/dbraw/zinc/54/96/76/794549676.db2.gz HPSYXTOUWWXKMW-VXGBXAGGSA-N 0 3 322.396 2.132 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CCCOC)C[C@H]1C(F)(F)F ZINC001112189974 794569593 /nfs/dbraw/zinc/56/95/93/794569593.db2.gz FYFZMLUTTZKLEU-YNEHKIRRSA-N 0 3 322.371 2.214 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccnc1OC(C)C ZINC001177623973 794712931 /nfs/dbraw/zinc/71/29/31/794712931.db2.gz VDDNFVINJSYVHM-UHFFFAOYSA-N 0 3 311.813 2.331 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCOc1ccccc1 ZINC001115356648 794743374 /nfs/dbraw/zinc/74/33/74/794743374.db2.gz NMTXDYZQMVWSEH-BGTYHANMSA-N 0 3 314.429 2.324 20 30 DEEDHN O=C(C#Cc1ccccn1)NC[C@H](c1ccccc1)N1CCCC1 ZINC001177804364 794756857 /nfs/dbraw/zinc/75/68/57/794756857.db2.gz RCPNHOVVWJSCEA-LJQANCHMSA-N 0 3 319.408 2.386 20 30 DEEDHN CC(C)C(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001178134382 794851165 /nfs/dbraw/zinc/85/11/65/794851165.db2.gz CCWLWNVJTKBGFN-YOEHRIQHSA-N 0 3 302.393 2.412 20 30 DEEDHN C=CC[NH2+]CCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC001178564324 794952154 /nfs/dbraw/zinc/95/21/54/794952154.db2.gz HGZRPHPAFTVJCL-UHFFFAOYSA-N 0 3 301.394 2.024 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1=O ZINC001116771284 794985177 /nfs/dbraw/zinc/98/51/77/794985177.db2.gz FGXOCSGUSJFBGB-BPUTZDHNSA-N 0 3 313.401 2.146 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)c2n[nH]c(CC)n2)[C@@H]1C ZINC001178805890 795000334 /nfs/dbraw/zinc/00/03/34/795000334.db2.gz OCZAOARYYPPSKY-RDBSUJKOSA-N 0 3 319.453 2.363 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(OC)c(OCCCC#N)c1 ZINC001179053809 795051729 /nfs/dbraw/zinc/05/17/29/795051729.db2.gz OMFYTEOJMYEYTN-MRXNPFEDSA-N 0 3 316.401 2.242 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179314568 795098106 /nfs/dbraw/zinc/09/81/06/795098106.db2.gz XTNGROYBWXZILB-UAGQMJEPSA-N 0 3 302.393 2.365 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCC(=O)N(CC)CC)[C@@H]1C ZINC001179384212 795110150 /nfs/dbraw/zinc/11/01/50/795110150.db2.gz GTUNBUOALHSZKN-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)N[C@H](C)C(C)C)[C@@H]1C ZINC001179454866 795117590 /nfs/dbraw/zinc/11/75/90/795117590.db2.gz KWVJAGTZRMNMTM-PMPSAXMXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)CCOC)C1 ZINC001120289738 795435127 /nfs/dbraw/zinc/43/51/27/795435127.db2.gz HEDCDCDKAIVXFZ-LSDHHAIUSA-N 0 3 314.857 2.478 20 30 DEEDHN O[C@@H](CNCC#C[C@@H]1CCCCO1)COc1ccccc1Cl ZINC001120609194 795497612 /nfs/dbraw/zinc/49/76/12/795497612.db2.gz ALIRSTIIQZRVLO-GJZGRUSLSA-N 0 3 323.820 2.242 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCC1)C2 ZINC001110246772 795522437 /nfs/dbraw/zinc/52/24/37/795522437.db2.gz OBOVFWNQHNEOQX-ZACQAIPSSA-N 0 3 306.450 2.491 20 30 DEEDHN COC(=O)C[C@@H](C)N(OC)C(=O)C(C#N)CCc1ccccc1 ZINC001120851465 795543247 /nfs/dbraw/zinc/54/32/47/795543247.db2.gz HUKNYMYAKPYOOA-HIFRSBDPSA-N 0 3 318.373 2.101 20 30 DEEDHN C=CC[C@H]1CCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC001121058586 795583670 /nfs/dbraw/zinc/58/36/70/795583670.db2.gz ZAFDGWAOXLVKDY-HNNXBMFYSA-N 0 3 315.417 2.172 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2scnc2C)C1 ZINC001182108314 795604815 /nfs/dbraw/zinc/60/48/15/795604815.db2.gz KZLLSAPSCAUZIK-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC=C(C)CC1 ZINC001121567320 795651443 /nfs/dbraw/zinc/65/14/43/795651443.db2.gz MZOZJOJJTDELFB-OAHLLOKOSA-N 0 3 301.438 2.430 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001121625321 795663472 /nfs/dbraw/zinc/66/34/72/795663472.db2.gz BJZAEWSTQVPMDB-OAHLLOKOSA-N 0 3 316.453 2.087 20 30 DEEDHN Cc1ncsc1CN[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001182423221 795669274 /nfs/dbraw/zinc/66/92/74/795669274.db2.gz WQCNKCJCKLQYAV-CYBMUJFWSA-N 0 3 305.447 2.192 20 30 DEEDHN C=CCCCC(=O)NC1CC2(CC(NCc3nccn3C)C2)C1 ZINC001121663478 795669980 /nfs/dbraw/zinc/66/99/80/795669980.db2.gz MEGZTEWNPIOYCK-UHFFFAOYSA-N 0 3 316.449 2.293 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182414040 795672471 /nfs/dbraw/zinc/67/24/71/795672471.db2.gz BYTMVYLUWGXMLD-QGZVFWFLSA-N 0 3 314.429 2.354 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](OC)C(C)C)C2 ZINC001121695883 795675418 /nfs/dbraw/zinc/67/54/18/795675418.db2.gz DKSMFYPGRZQRNI-JNJRBNHSSA-N 0 3 314.857 2.427 20 30 DEEDHN N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001110305130 795682232 /nfs/dbraw/zinc/68/22/32/795682232.db2.gz GGWTVPPPFLQAFY-OAGGEKHMSA-N 0 3 319.474 2.465 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC001121900472 795701363 /nfs/dbraw/zinc/70/13/63/795701363.db2.gz HDIKVVSJACQSHK-KRWDZBQOSA-N 0 3 317.433 2.141 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC001121969933 795710938 /nfs/dbraw/zinc/71/09/38/795710938.db2.gz ZZEYZNVGSJISDZ-GJZGRUSLSA-N 0 3 311.470 2.178 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC001121982042 795712154 /nfs/dbraw/zinc/71/21/54/795712154.db2.gz ODPJRLBPFIKRFE-KBPBESRZSA-N 0 3 321.469 2.479 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC001121982045 795712271 /nfs/dbraw/zinc/71/22/71/795712271.db2.gz ODPJRLBPFIKRFE-UONOGXRCSA-N 0 3 321.469 2.479 20 30 DEEDHN CCC[C@H](C)CCCC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001182866979 795769510 /nfs/dbraw/zinc/76/95/10/795769510.db2.gz DURZFOWETOJFEK-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN CCCc1ccc(C(=O)N2CC[C@@H](NCC#CCOC)C2)s1 ZINC001182893424 795775371 /nfs/dbraw/zinc/77/53/71/795775371.db2.gz IZWCYHWUKKQRDO-CQSZACIVSA-N 0 3 320.458 2.155 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CC1CCCC1 ZINC001122878650 795814060 /nfs/dbraw/zinc/81/40/60/795814060.db2.gz CGYGGPPXPQPEMJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN COc1ccc(CNCCNC(=O)CCC(C)C)cc1C#N ZINC001123223167 795876079 /nfs/dbraw/zinc/87/60/79/795876079.db2.gz DDEHKBJSXTYCCS-UHFFFAOYSA-N 0 3 303.406 2.209 20 30 DEEDHN Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CC(C)(N(C)C)C1 ZINC001183886545 795949834 /nfs/dbraw/zinc/94/98/34/795949834.db2.gz JUMBZKZROQRJLD-UHFFFAOYSA-N 0 3 310.401 2.053 20 30 DEEDHN C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183900347 795953016 /nfs/dbraw/zinc/95/30/16/795953016.db2.gz VPZWSAQIZDTOSO-LSDHHAIUSA-N 0 3 300.402 2.103 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2ccccc2OCC)C1 ZINC001183999833 795978860 /nfs/dbraw/zinc/97/88/60/795978860.db2.gz FUSSPBWFCLJABY-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001184292509 796038153 /nfs/dbraw/zinc/03/81/53/796038153.db2.gz OQCCFHCHXKUBDJ-CHWSQXEVSA-N 0 3 306.356 2.282 20 30 DEEDHN CCCC[C@@H](CC)CC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001184425689 796062770 /nfs/dbraw/zinc/06/27/70/796062770.db2.gz WAVRHWVINRTJGA-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC001184669055 796103007 /nfs/dbraw/zinc/10/30/07/796103007.db2.gz XVWNKBZOKDAWGW-MRXNPFEDSA-N 0 3 304.821 2.486 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001185070535 796182649 /nfs/dbraw/zinc/18/26/49/796182649.db2.gz GVEHTLTUKZDAMC-GDBMZVCRSA-N 0 3 304.438 2.021 20 30 DEEDHN C#CCOc1ccc(CN2CCN(CCC)CC2)cc1OC ZINC001138349116 796202911 /nfs/dbraw/zinc/20/29/11/796202911.db2.gz RZISBRAIYAEQDD-UHFFFAOYSA-N 0 3 302.418 2.235 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001185272696 796226537 /nfs/dbraw/zinc/22/65/37/796226537.db2.gz YAKZJNKUPMBLHF-OAHLLOKOSA-N 0 3 309.413 2.233 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2cnoc2C)C12CCC2 ZINC001202847935 796250360 /nfs/dbraw/zinc/25/03/60/796250360.db2.gz XZMXVHRGKKLWDK-HOTGVXAUSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cccnc2F)CC1 ZINC001138791135 796279772 /nfs/dbraw/zinc/27/97/72/796279772.db2.gz QWIXNUGDSAEYLI-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@@H](NCc2ccccn2)C12CCC2 ZINC001202867696 796285021 /nfs/dbraw/zinc/28/50/21/796285021.db2.gz UCEXMADGRUVVOV-IAGOWNOFSA-N 0 3 311.429 2.258 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H](NCc2ccccn2)C12CCC2 ZINC001202867695 796285187 /nfs/dbraw/zinc/28/51/87/796285187.db2.gz UCEXMADGRUVVOV-DLBZAZTESA-N 0 3 311.429 2.258 20 30 DEEDHN Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C#CC(C)C)C23CCC3)o1 ZINC001202878115 796303092 /nfs/dbraw/zinc/30/30/92/796303092.db2.gz RJXAAWGBKVYWTB-JKSUJKDBSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001185969218 796345571 /nfs/dbraw/zinc/34/55/71/796345571.db2.gz VEJOSHOBMQCXOB-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CCCNC3=O)CC2)cc1F ZINC001139529239 796391581 /nfs/dbraw/zinc/39/15/81/796391581.db2.gz MNDRKBRTVSOFPU-UHFFFAOYSA-N 0 3 301.365 2.190 20 30 DEEDHN C=CCn1cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cn1 ZINC001139774747 796425939 /nfs/dbraw/zinc/42/59/39/796425939.db2.gz UETVTZJDAMWIBV-DLBZAZTESA-N 0 3 306.429 2.467 20 30 DEEDHN C=CCn1cc(CN2CC[C@H](CC(=O)OCC)[C@@H](C)C2)cn1 ZINC001139774490 796425977 /nfs/dbraw/zinc/42/59/77/796425977.db2.gz HWEWRMQLHLBKCU-GOEBONIOSA-N 0 3 305.422 2.480 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](O)[C@@H](C)c1ccccc1F ZINC001139869308 796439371 /nfs/dbraw/zinc/43/93/71/796439371.db2.gz FCVZPOPNPRGBES-YOEHRIQHSA-N 0 3 322.424 2.256 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCc3sc(C)nc32)C1 ZINC001187051581 796478449 /nfs/dbraw/zinc/47/84/49/796478449.db2.gz XCIUXCKMTCJQDZ-ZIAGYGMSSA-N 0 3 317.458 2.085 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CCC(=O)N4)CC3)c2c1 ZINC001140117483 796479015 /nfs/dbraw/zinc/47/90/15/796479015.db2.gz SECGWWBRYCVXIM-UHFFFAOYSA-N 0 3 308.385 2.284 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001187142536 796493164 /nfs/dbraw/zinc/49/31/64/796493164.db2.gz BGCOQEHZCDGHJB-LJQANCHMSA-N 0 3 324.424 2.100 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001187500940 796544227 /nfs/dbraw/zinc/54/42/27/796544227.db2.gz MTNFCRHQUSCTDN-GDBMZVCRSA-N 0 3 302.805 2.194 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001187556249 796544809 /nfs/dbraw/zinc/54/48/09/796544809.db2.gz DLIAWEZBQKFVQC-SNVBAGLBSA-N 0 3 312.747 2.446 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140750928 796567176 /nfs/dbraw/zinc/56/71/76/796567176.db2.gz CWDYATMHHTZJRB-CQSZACIVSA-N 0 3 320.389 2.283 20 30 DEEDHN O=C(Nc1ccc2c(c1)OCO2)N1CCC2SC(=O)C=C2C1 ZINC001187838907 796586348 /nfs/dbraw/zinc/58/63/48/796586348.db2.gz HKEGWWIZFUWWMA-CYBMUJFWSA-N 0 3 318.354 2.221 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001188040760 796614460 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CC(C)OCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189196702 796782024 /nfs/dbraw/zinc/78/20/24/796782024.db2.gz NMNVQSORWDYOPN-QGZVFWFLSA-N 0 3 315.417 2.016 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001189174435 796785578 /nfs/dbraw/zinc/78/55/78/796785578.db2.gz IKHBWUCCWFCZCQ-BSDSXHPESA-N 0 3 320.477 2.404 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)C[C@@H](O)c2ccccc2)C1 ZINC001189317965 796807629 /nfs/dbraw/zinc/80/76/29/796807629.db2.gz GPUIGRQLKMHQBV-DLBZAZTESA-N 0 3 302.418 2.219 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001189371769 796813148 /nfs/dbraw/zinc/81/31/48/796813148.db2.gz SDFFCTCWSXIPRV-QGZVFWFLSA-N 0 3 320.408 2.391 20 30 DEEDHN COCC#CCNCCNC(=O)c1coc2ccc(Cl)cc12 ZINC001149405367 796850836 /nfs/dbraw/zinc/85/08/36/796850836.db2.gz OUMOOBFHRVHIPD-UHFFFAOYSA-N 0 3 320.776 2.055 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](N(C)C[C@@H]2CCCCO2)C1 ZINC001189575696 796851970 /nfs/dbraw/zinc/85/19/70/796851970.db2.gz 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C=CCN1CCC(CCOC)(NC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001151374526 797038044 /nfs/dbraw/zinc/03/80/44/797038044.db2.gz JWDQKPZDGMKCRK-HOTGVXAUSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001190676943 797056464 /nfs/dbraw/zinc/05/64/64/797056464.db2.gz VSHWMPWYHQZGLZ-BFHYXJOUSA-N 0 3 308.447 2.186 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001190910391 797111832 /nfs/dbraw/zinc/11/18/32/797111832.db2.gz IFXLBZAGNUJEIE-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152004755 797131617 /nfs/dbraw/zinc/13/16/17/797131617.db2.gz DTTKJPCYKNFHDB-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001191449911 797194177 /nfs/dbraw/zinc/19/41/77/797194177.db2.gz JHSAMTRFEDSWME-ULQDDVLXSA-N 0 3 306.450 2.158 20 30 DEEDHN COc1ccc(CNCCNC(=O)C[C@@H](C)C2CC2)cc1C#N ZINC001152576851 797207232 /nfs/dbraw/zinc/20/72/32/797207232.db2.gz 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/nfs/dbraw/zinc/40/03/54/797400354.db2.gz GSGCJLIAAGAVKN-FGTMMUONSA-N 0 3 314.429 2.103 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1c(C)noc1C ZINC001154074322 797456721 /nfs/dbraw/zinc/45/67/21/797456721.db2.gz MRLZGWHYIHCCAM-CHWSQXEVSA-N 0 3 305.422 2.245 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001192871583 797458628 /nfs/dbraw/zinc/45/86/28/797458628.db2.gz ULSJONGUMIGDQS-IAGOWNOFSA-N 0 3 320.477 2.168 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)onc1C1CC1 ZINC001154355265 797521294 /nfs/dbraw/zinc/52/12/94/797521294.db2.gz AYKKLBOYELLRLZ-GFCCVEGCSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001193372581 797554535 /nfs/dbraw/zinc/55/45/35/797554535.db2.gz DDFJEACVEHLJPB-INIZCTEOSA-N 0 3 306.450 2.158 20 30 DEEDHN Cc1ccc([C@H](C#N)c2ccc(-n3cnc(CN)c3)nn2)cc1 ZINC001154905172 797637032 /nfs/dbraw/zinc/63/70/32/797637032.db2.gz AGTUQGAJZHCAEI-HNNXBMFYSA-N 0 3 304.357 2.085 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1c(C)[nH]c2ccccc21 ZINC001154932633 797642173 /nfs/dbraw/zinc/64/21/73/797642173.db2.gz MWHGCJVWQXWCDQ-CQSZACIVSA-N 0 3 311.429 2.479 20 30 DEEDHN C#CCCCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001155018210 797661985 /nfs/dbraw/zinc/66/19/85/797661985.db2.gz VZRJFLZPLMTIBM-GFCCVEGCSA-N 0 3 300.362 2.251 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2cccc(C)c2)C1 ZINC001193992080 797666612 /nfs/dbraw/zinc/66/66/12/797666612.db2.gz HYRQYSYMAYMDRI-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001155041058 797667141 /nfs/dbraw/zinc/66/71/41/797667141.db2.gz NJSCXWIJYCOISX-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CN(CC)c2ccccc2)C1 ZINC001194199245 797691801 /nfs/dbraw/zinc/69/18/01/797691801.db2.gz BLMWACCNYFYFDK-QGZVFWFLSA-N 0 3 301.434 2.232 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001194368304 797714569 /nfs/dbraw/zinc/71/45/69/797714569.db2.gz 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ZINC001196446767 798054074 /nfs/dbraw/zinc/05/40/74/798054074.db2.gz VFDJVURIWFIMKF-KBAYOESNSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001156672509 798059853 /nfs/dbraw/zinc/05/98/53/798059853.db2.gz RETXBWJUGZMNJG-UHFFFAOYSA-N 0 3 321.377 2.183 20 30 DEEDHN O=C1C=C2CN(C(=S)NCc3ccc(F)cc3)CCC2S1 ZINC001196466339 798059913 /nfs/dbraw/zinc/05/99/13/798059913.db2.gz HCISZGDXVPBOTC-CYBMUJFWSA-N 0 3 322.430 2.474 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001156682733 798062068 /nfs/dbraw/zinc/06/20/68/798062068.db2.gz JAIHJQWNCRVUGL-OAHLLOKOSA-N 0 3 313.445 2.142 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccccc1CC ZINC001156721954 798070936 /nfs/dbraw/zinc/07/09/36/798070936.db2.gz NGMUWQLGPUYBJT-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1c(C)cccc1C ZINC001156767055 798079387 /nfs/dbraw/zinc/07/93/87/798079387.db2.gz LRUCVMJVWSKRFU-MRXNPFEDSA-N 0 3 302.418 2.142 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1cccc(Cl)c1 ZINC001156791987 798082692 /nfs/dbraw/zinc/08/26/92/798082692.db2.gz HJLVWYVXDDDICM-CYBMUJFWSA-N 0 3 308.809 2.179 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001196652488 798088382 /nfs/dbraw/zinc/08/83/82/798088382.db2.gz YXURBKBZBMFPRH-VXGBXAGGSA-N 0 3 314.838 2.143 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1cc(C)ccc1C ZINC001156858588 798096596 /nfs/dbraw/zinc/09/65/96/798096596.db2.gz XOYQQOQCKYBXGL-MRXNPFEDSA-N 0 3 302.418 2.142 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cn1ccc2ccccc21 ZINC001156982314 798122643 /nfs/dbraw/zinc/12/26/43/798122643.db2.gz CDPRFWSPZOKFID-MRXNPFEDSA-N 0 3 311.429 2.491 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001157041223 798132437 /nfs/dbraw/zinc/13/24/37/798132437.db2.gz KGRSGSHPEJCWLS-OAHLLOKOSA-N 0 3 316.445 2.433 20 30 DEEDHN C=CC1(CC(=O)N2CCCN(C[C@@H](C)O)CC2)CCCCC1 ZINC001197440934 798185320 /nfs/dbraw/zinc/18/53/20/798185320.db2.gz SMJHGBWWAJJOSE-MRXNPFEDSA-N 0 3 308.466 2.428 20 30 DEEDHN CCCc1nc(C)c(CNCCCNC(=O)C#CC(C)C)o1 ZINC001157632633 798245699 /nfs/dbraw/zinc/24/56/99/798245699.db2.gz IJNDCATXZAJMLR-UHFFFAOYSA-N 0 3 305.422 2.191 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001197858796 798246690 /nfs/dbraw/zinc/24/66/90/798246690.db2.gz GWHHGPKXQCPTNP-KBAYOESNSA-N 0 3 316.445 2.226 20 30 DEEDHN CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N2CC(C)(C#N)C2)cc1 ZINC001157694308 798260605 /nfs/dbraw/zinc/26/06/05/798260605.db2.gz RCWYXQYLMICNJI-HNNXBMFYSA-N 0 3 315.417 2.106 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001198056207 798272289 /nfs/dbraw/zinc/27/22/89/798272289.db2.gz XOEZXUHAHJIQHZ-HUUCEWRRSA-N 0 3 308.809 2.081 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001198127651 798282040 /nfs/dbraw/zinc/28/20/40/798282040.db2.gz SQWPWYGBAFDWAY-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001157880498 798296879 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C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001198998399 798427939 /nfs/dbraw/zinc/42/79/39/798427939.db2.gz VEFPIGHRAJPTDB-KBRIMQKVSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001199002480 798428531 /nfs/dbraw/zinc/42/85/31/798428531.db2.gz VNFKWTNEQXZAQZ-HIFRSBDPSA-N 0 3 306.406 2.053 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001199227218 798454126 /nfs/dbraw/zinc/45/41/26/798454126.db2.gz SCKXSOOSHIEWKF-ARFHVFGLSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001158746617 798462351 /nfs/dbraw/zinc/46/23/51/798462351.db2.gz CNXAMCVGSQDFCT-UHFFFAOYSA-N 0 3 316.449 2.194 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCC(C)C)C[C@H]2O)CCCCC1 ZINC001199278025 798466192 /nfs/dbraw/zinc/46/61/92/798466192.db2.gz LKTJOKLDIGPFAL-IAGOWNOFSA-N 0 3 320.477 2.168 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001158895065 798485202 /nfs/dbraw/zinc/48/52/02/798485202.db2.gz 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798720391 /nfs/dbraw/zinc/72/03/91/798720391.db2.gz MSAMPJPDMBAOCG-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001160688386 798722560 /nfs/dbraw/zinc/72/25/60/798722560.db2.gz MVDYNHBJYHTIED-UHFFFAOYSA-N 0 3 315.417 2.288 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCO[C@H](CNC[C@H](F)CC)C2)C1 ZINC001201367355 798742704 /nfs/dbraw/zinc/74/27/04/798742704.db2.gz YMUDYXYVIWORNW-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC001160860431 798751540 /nfs/dbraw/zinc/75/15/40/798751540.db2.gz HNGSQEBPMOYVJT-MRXNPFEDSA-N 0 3 316.449 2.467 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccsc1COC ZINC001160984207 798774843 /nfs/dbraw/zinc/77/48/43/798774843.db2.gz HWWADFLJUMPYDN-UHFFFAOYSA-N 0 3 302.827 2.357 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(C3CC3)s2)CCCO1 ZINC001201856743 798801527 /nfs/dbraw/zinc/80/15/27/798801527.db2.gz OIYIDQOTGHPWDE-AWEZNQCLSA-N 0 3 318.442 2.079 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C(C)(C)CC(C)C)CCCO1 ZINC001201824101 798802649 /nfs/dbraw/zinc/80/26/49/798802649.db2.gz PIVOIUFERSPMOV-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2nccc3[nH]ccc32)CC1 ZINC001161248583 798816249 /nfs/dbraw/zinc/81/62/49/798816249.db2.gz CRCYNJDIMBBRMD-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202085655 798825821 /nfs/dbraw/zinc/82/58/21/798825821.db2.gz XBPOXMMKCIUZNO-KGLIPLIRSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C[C@H](C(=O)N1CCCO[C@@H](CNCCF)C1)c1ccccc1 ZINC001202133808 798831346 /nfs/dbraw/zinc/83/13/46/798831346.db2.gz JEBKQUCOCUCEFJ-IRXDYDNUSA-N 0 3 320.408 2.133 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](CCCC)C(C)C)CCCO1 ZINC001202174525 798836423 /nfs/dbraw/zinc/83/64/23/798836423.db2.gz VRBAMNNWWDYAAS-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccccc1C(F)(F)F ZINC001202174134 798836590 /nfs/dbraw/zinc/83/65/90/798836590.db2.gz JGZSPTFMYGNQQR-SNVBAGLBSA-N 0 3 315.251 2.282 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ncoc1C(F)(F)F ZINC001161447181 798860041 /nfs/dbraw/zinc/86/00/41/798860041.db2.gz NTZHWJGXYFLCOW-UHFFFAOYSA-N 0 3 311.691 2.155 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cn1ccc(C)n1)C2 ZINC001110599971 798912465 /nfs/dbraw/zinc/91/24/65/798912465.db2.gz OVKZLDAWAWYWEO-SVGFKBNWSA-N 0 3 316.449 2.125 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cn2cc3ccccc3n2)CC1 ZINC001161728952 798924230 /nfs/dbraw/zinc/92/42/30/798924230.db2.gz FMFZKBRYVZRIEJ-UHFFFAOYSA-N 0 3 324.428 2.361 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)CCCc2nc(C)no2)CC1 ZINC001161856849 798951143 /nfs/dbraw/zinc/95/11/43/798951143.db2.gz JBNDMLHEQHAXMK-UHFFFAOYSA-N 0 3 318.421 2.025 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1coc(-c2cccnc2)n1 ZINC001161859594 798951180 /nfs/dbraw/zinc/95/11/80/798951180.db2.gz GWRAWUFRVILNOF-UHFFFAOYSA-N 0 3 320.780 2.199 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)C2CCOCC2)CC1 ZINC001162016588 798993959 /nfs/dbraw/zinc/99/39/59/798993959.db2.gz INVWEXMVVAXYOF-HNNXBMFYSA-N 0 3 306.450 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/nfs/dbraw/zinc/28/56/65/799285665.db2.gz MEQOUVFCYJSKMZ-PWSUYJOCSA-N 0 3 315.255 2.427 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(CC)n[nH]2)CC1 ZINC001163516124 799367345 /nfs/dbraw/zinc/36/73/45/799367345.db2.gz VBAXYJSEGXXKPE-UHFFFAOYSA-N 0 3 310.829 2.214 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)n2cccn2)CC1 ZINC001163529905 799369193 /nfs/dbraw/zinc/36/91/93/799369193.db2.gz RUXUHEMXAHWBJR-ZDUSSCGKSA-N 0 3 310.829 2.073 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CCCO2)CC1 ZINC001163569337 799380119 /nfs/dbraw/zinc/38/01/19/799380119.db2.gz SVNJZJPAEFPLFA-CYBMUJFWSA-N 0 3 300.830 2.184 20 30 DEEDHN N#CC1(c2ccc(N[C@H]3CCCC[C@@]34CNCCO4)nc2)CC1 ZINC001163646445 799394203 /nfs/dbraw/zinc/39/42/03/799394203.db2.gz QLZDHIJEXFMWLJ-MAUKXSAKSA-N 0 3 312.417 2.350 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1cc(OC)ns1 ZINC001164223978 799545641 /nfs/dbraw/zinc/54/56/41/799545641.db2.gz YWDSBUQKKKZGDA-VXGBXAGGSA-N 0 3 311.451 2.206 20 30 DEEDHN C#CCCCC(=O)NCCC1(CNCc2conc2C)CC1 ZINC001164297742 799563897 /nfs/dbraw/zinc/56/38/97/799563897.db2.gz LXCGOVGJBWFTRU-UHFFFAOYSA-N 0 3 303.406 2.163 20 30 DEEDHN CCC[C@H](OCC)C(=O)NCCCNCc1ccccc1C#N ZINC001164300616 799564892 /nfs/dbraw/zinc/56/48/92/799564892.db2.gz GITFDHYWMMDVTR-KRWDZBQOSA-N 0 3 317.433 2.359 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CCC1(C)C ZINC001164307632 799566571 /nfs/dbraw/zinc/56/65/71/799566571.db2.gz VBYXYLRYOCNLBF-NSHDSACASA-N 0 3 303.244 2.427 20 30 DEEDHN Cc1c(Cl)c(Cl)nc(-n2cnc3c2CNCC3)c1C#N ZINC001164310159 799567539 /nfs/dbraw/zinc/56/75/39/799567539.db2.gz JYRFWTSXAYWCHI-UHFFFAOYSA-N 0 3 308.172 2.400 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3c[nH]nc31)C2 ZINC001095417001 799585801 /nfs/dbraw/zinc/58/58/01/799585801.db2.gz CSUUPUKKDORFLN-UGUYLWEFSA-N 0 3 314.433 2.127 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@@H]2CC[C@H](F)C2)c1 ZINC001164630793 799636102 /nfs/dbraw/zinc/63/61/02/799636102.db2.gz DYAZGKPCQBVWHX-HIFRSBDPSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(C)C[NH2+]CC1(CCNC(=O)c2cccc3n[n-]nc32)CC1 ZINC001164643170 799637906 /nfs/dbraw/zinc/63/79/06/799637906.db2.gz WBFQJVNGADHKMN-UHFFFAOYSA-N 0 3 313.405 2.024 20 30 DEEDHN C=C1CCC(C(=O)NCCCNCc2cc(C)ncn2)CC1 ZINC001165906609 799792269 /nfs/dbraw/zinc/79/22/69/799792269.db2.gz DCCABJMZIQNKCB-UHFFFAOYSA-N 0 3 302.422 2.127 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccc(Cl)[nH]1 ZINC001166150596 799834125 /nfs/dbraw/zinc/83/41/25/799834125.db2.gz GYAWFPJFAKXFIU-UHFFFAOYSA-N 0 3 320.618 2.286 20 30 DEEDHN CCOC(=O)C[C@@H](O)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607619 800137296 /nfs/dbraw/zinc/13/72/96/800137296.db2.gz SUIQRJSXPVEBAU-QGZVFWFLSA-N 0 3 316.401 2.052 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274554 800198127 /nfs/dbraw/zinc/19/81/27/800198127.db2.gz DWWKILUMPAYIQG-WMZOPIPTSA-N 0 3 319.401 2.424 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274554 800198129 /nfs/dbraw/zinc/19/81/29/800198129.db2.gz DWWKILUMPAYIQG-WMZOPIPTSA-N 0 3 319.401 2.424 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C)cc1 ZINC001204300238 800202194 /nfs/dbraw/zinc/20/21/94/800202194.db2.gz KYERFUTYVPUQAW-IAGOWNOFSA-N 0 3 300.402 2.447 20 30 DEEDHN Cc1nc(C#N)cnc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001204734244 800250907 /nfs/dbraw/zinc/25/09/07/800250907.db2.gz NAAYMKOURSZHRZ-UHFFFAOYSA-N 0 3 322.416 2.148 20 30 DEEDHN C=CCCCN1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000934100372 800259409 /nfs/dbraw/zinc/25/94/09/800259409.db2.gz CCTCGCDBGXCBDT-UHFFFAOYSA-N 0 3 309.454 2.190 20 30 DEEDHN C#C[C@@H]1CCCCN1CCc1c(C)nc2sccn2c1=O ZINC000934517074 800379264 /nfs/dbraw/zinc/37/92/64/800379264.db2.gz SEPJKAUGWRZXNG-CYBMUJFWSA-N 0 3 301.415 2.095 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC001205988804 800454608 /nfs/dbraw/zinc/45/46/08/800454608.db2.gz KHPTWKJWSASOSP-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2ccns2)CCCCC1 ZINC001115447924 800560567 /nfs/dbraw/zinc/56/05/67/800560567.db2.gz KIIGTKYNJOFUEI-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN C[C@@H]1CN(C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206951826 800639640 /nfs/dbraw/zinc/63/96/40/800639640.db2.gz KWOCQSGNGAQVPK-BZUAXINKSA-N 0 3 320.477 2.288 20 30 DEEDHN CC(C)N1CCC[C@@H]1C(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000935804964 800774563 /nfs/dbraw/zinc/77/45/63/800774563.db2.gz NQIUTYQQGYUTSI-OAHLLOKOSA-N 0 3 307.344 2.325 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](NCc2cccnc2)C1 ZINC001207618988 800790171 /nfs/dbraw/zinc/79/01/71/800790171.db2.gz SUSRVOYSJXRWRB-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C2 ZINC001095743158 800899757 /nfs/dbraw/zinc/89/97/57/800899757.db2.gz VZCRCYFANISJQD-WKULXVSPSA-N 0 3 318.461 2.347 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC001208239384 800935375 /nfs/dbraw/zinc/93/53/75/800935375.db2.gz ADSZTIHOHBVKRU-INIZCTEOSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001208239609 800936796 /nfs/dbraw/zinc/93/67/96/800936796.db2.gz DNDONVXIKHTCSF-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001208415926 800979408 /nfs/dbraw/zinc/97/94/08/800979408.db2.gz XXXCPPSVXFWUMX-KBAYOESNSA-N 0 3 313.445 2.281 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)N[C@@H](C)CC)C1 ZINC001208919132 801093350 /nfs/dbraw/zinc/09/33/50/801093350.db2.gz PFHLISZXMUBLQH-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001209146156 801135812 /nfs/dbraw/zinc/13/58/12/801135812.db2.gz LFQYBAPTTLNSGE-CABCVRRESA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001209147342 801136462 /nfs/dbraw/zinc/13/64/62/801136462.db2.gz WCZFYDNVDRXRKW-GJZGRUSLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCCN1C[C@H]2C[C@@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001209202533 801150169 /nfs/dbraw/zinc/15/01/69/801150169.db2.gz KMROVJCDNSUIFH-BRWVUGGUSA-N 0 3 318.417 2.341 20 30 DEEDHN C#CCCCN1Cc2cncn2C[C@@H](COCc2ccccn2)C1 ZINC001209267933 801162825 /nfs/dbraw/zinc/16/28/25/801162825.db2.gz YNGYNQNGMCKIKT-KRWDZBQOSA-N 0 3 324.428 2.340 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001209327444 801171051 /nfs/dbraw/zinc/17/10/51/801171051.db2.gz IRETXNLZUHFYOM-XLNGHYISSA-N 0 3 306.450 2.062 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001209365616 801176079 /nfs/dbraw/zinc/17/60/79/801176079.db2.gz JSSFAQQTGGQHQK-MRXNPFEDSA-N 0 3 302.422 2.222 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001209374023 801178677 /nfs/dbraw/zinc/17/86/77/801178677.db2.gz JBQMIQVDECLISE-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001209454707 801195217 /nfs/dbraw/zinc/19/52/17/801195217.db2.gz NLVMBGYIKYKYMJ-MAUKXSAKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2occc2Cl)CC1 ZINC001229016974 801209087 /nfs/dbraw/zinc/20/90/87/801209087.db2.gz OSBGCUCOYNGZLA-UHFFFAOYSA-N 0 3 312.797 2.330 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CC[C@@H]2CCCCO2)CC1 ZINC001229409190 801273663 /nfs/dbraw/zinc/27/36/63/801273663.db2.gz FASJXVBRLHMUER-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(CCC)on2)CC1 ZINC001229831667 801325257 /nfs/dbraw/zinc/32/52/57/801325257.db2.gz DZKZHLWAHPRAKI-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001210328691 801377452 /nfs/dbraw/zinc/37/74/52/801377452.db2.gz QFJXHWPNHPIFSP-QAPCUYQASA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2ccco2)C1 ZINC001210372586 801386747 /nfs/dbraw/zinc/38/67/47/801386747.db2.gz SYOQVVVNTNEIRZ-ARFHVFGLSA-N 0 3 320.433 2.412 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001210440097 801402970 /nfs/dbraw/zinc/40/29/70/801402970.db2.gz OFBHCDVZNVTQFK-BRWVUGGUSA-N 0 3 319.449 2.078 20 30 DEEDHN C#CCCN(CCCNC(=O)CC(C)(F)F)Cc1cccnc1 ZINC001230838205 801506907 /nfs/dbraw/zinc/50/69/07/801506907.db2.gz KYNJSMKUGPTACU-UHFFFAOYSA-N 0 3 323.387 2.459 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CCOCC)C[C@H]1C)c1ccccc1 ZINC001211241298 801535895 /nfs/dbraw/zinc/53/58/95/801535895.db2.gz JSMXKZRBGHQVME-KBAYOESNSA-N 0 3 316.445 2.429 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213460045 801612501 /nfs/dbraw/zinc/61/25/01/801612501.db2.gz AZEMGEDKMGYLGA-JHJVBQTASA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001231240545 801614476 /nfs/dbraw/zinc/61/44/76/801614476.db2.gz LYSOPPIOYSZOLO-KGLIPLIRSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)cc2)[C@H](OC)C1 ZINC001213770762 801642303 /nfs/dbraw/zinc/64/23/03/801642303.db2.gz HKIJCACKHNCXGV-IAGOWNOFSA-N 0 3 302.418 2.390 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231407893 801658587 /nfs/dbraw/zinc/65/85/87/801658587.db2.gz PWFCRLVFIJRCJJ-MRXNPFEDSA-N 0 3 304.438 2.231 20 30 DEEDHN CS[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214188669 801685769 /nfs/dbraw/zinc/68/57/69/801685769.db2.gz ULWWAKAHENDBAH-BFYDXBDKSA-N 0 3 316.470 2.226 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(OC)ns2)C1 ZINC001214302147 801701703 /nfs/dbraw/zinc/70/17/03/801701703.db2.gz UDFSXCWDIWROBR-DGCLKSJQSA-N 0 3 309.435 2.054 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1NCC#Cc1ccccc1 ZINC001214683719 801747602 /nfs/dbraw/zinc/74/76/02/801747602.db2.gz JRORXBYLECZTAJ-CRAIPNDOSA-N 0 3 307.397 2.117 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001214727684 801753205 /nfs/dbraw/zinc/75/32/05/801753205.db2.gz MUSMRARMSBTIJD-CZUORRHYSA-N 0 3 318.465 2.267 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(OC)ns2)C1 ZINC001214741438 801755875 /nfs/dbraw/zinc/75/58/75/801755875.db2.gz LKYLRBVPKVYNQG-TZMCWYRMSA-N 0 3 323.462 2.445 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC001231974864 801761882 /nfs/dbraw/zinc/76/18/82/801761882.db2.gz SFRDHQYKSGXITP-OAHLLOKOSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001215433895 801860936 /nfs/dbraw/zinc/86/09/36/801860936.db2.gz FNKRVXNNBZUHNY-CZUORRHYSA-N 0 3 302.422 2.078 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccnc(OC)c2)C1 ZINC001215429741 801861089 /nfs/dbraw/zinc/86/10/89/801861089.db2.gz OFRUJGGUEPUKPF-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN CN(C)c1ccc(CN2CCN(C3CCC3)CC2)c(F)c1C#N ZINC001233096600 802024677 /nfs/dbraw/zinc/02/46/77/802024677.db2.gz INRXQXLFYCPLNR-UHFFFAOYSA-N 0 3 316.424 2.433 20 30 DEEDHN CCN1CCN(Cc2ccc(N(C)C)c(C#N)c2F)C[C@H]1C ZINC001233103290 802028058 /nfs/dbraw/zinc/02/80/58/802028058.db2.gz DFTBYYGQMXMYFD-CYBMUJFWSA-N 0 3 304.413 2.289 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3ccoc3C)[C@H]2C1 ZINC001217248790 802060728 /nfs/dbraw/zinc/06/07/28/802060728.db2.gz MYEXJDCDXBUQSO-XOKHGSTOSA-N 0 3 318.417 2.468 20 30 DEEDHN N#Cc1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)c([O-])c1 ZINC001233386421 802101727 /nfs/dbraw/zinc/10/17/27/802101727.db2.gz SWIJHRXDIYKQBQ-UHFFFAOYSA-N 0 3 322.412 2.019 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C3(CCF)CC3)[C@H]2C1 ZINC001218368627 802173466 /nfs/dbraw/zinc/17/34/66/802173466.db2.gz ATOZMBGMQPZKGI-LSDHHAIUSA-N 0 3 310.413 2.004 20 30 DEEDHN CC#CCCCC(=O)N1CCO[C@@H]2CN(CCCCC)C[C@@H]21 ZINC001218504563 802192930 /nfs/dbraw/zinc/19/29/30/802192930.db2.gz ZRLKCLFHGZORFQ-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)CC(=C)C)[C@H]2C1 ZINC001218522908 802198399 /nfs/dbraw/zinc/19/83/99/802198399.db2.gz DOXMGWTYBXFBMR-YESZJQIVSA-N 0 3 306.450 2.467 20 30 DEEDHN C[C@@H]1CCN[C@@H](C(=O)Nc2ncc(C#N)cc2Br)C1 ZINC001218553117 802204231 /nfs/dbraw/zinc/20/42/31/802204231.db2.gz WEDIVRCEGDHASM-LDYMZIIASA-N 0 3 323.194 2.042 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001233979283 802258587 /nfs/dbraw/zinc/25/85/87/802258587.db2.gz YZMGLIIEHBHIHR-AEFFLSMTSA-N 0 3 306.450 2.347 20 30 DEEDHN COc1cccc(NC(=O)[C@@H](N)C2Cc3ccccc3C2)c1C#N ZINC001218978518 802269273 /nfs/dbraw/zinc/26/92/73/802269273.db2.gz QUYMRQRECLRGJL-SFHVURJKSA-N 0 3 321.380 2.248 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](O)C1 ZINC001219455352 802332496 /nfs/dbraw/zinc/33/24/96/802332496.db2.gz GHEYYEGGNZTZLP-CFVMTHIKSA-N 0 3 310.413 2.300 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@@H]1O ZINC001219718544 802373628 /nfs/dbraw/zinc/37/36/28/802373628.db2.gz IXKJJEITDSINAJ-SQNIBIBYSA-N 0 3 314.429 2.192 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](O)C1 ZINC001219806027 802379439 /nfs/dbraw/zinc/37/94/39/802379439.db2.gz YYLFPLJEBPSJGL-LYRGGWFBSA-N 0 3 324.371 2.094 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCCCC)C[C@@H]2O)CCC1 ZINC001219785055 802379468 /nfs/dbraw/zinc/37/94/68/802379468.db2.gz BOKVSIOEZHLNLQ-SJORKVTESA-N 0 3 320.477 2.312 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CCC(F)F)[C@@H](O)C1 ZINC001220021114 802401921 /nfs/dbraw/zinc/40/19/21/802401921.db2.gz IBJTZRPBKGISEK-OLZOCXBDSA-N 0 3 306.397 2.163 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@@H]1O ZINC001220141496 802414975 /nfs/dbraw/zinc/41/49/75/802414975.db2.gz VDOJIEYKLFZYCE-SJORKVTESA-N 0 3 316.445 2.177 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCC2CCCCC2)C[C@@H]1O ZINC001220141490 802414998 /nfs/dbraw/zinc/41/49/98/802414998.db2.gz USQZFGDTKOWIBU-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001220209595 802427058 /nfs/dbraw/zinc/42/70/58/802427058.db2.gz WTYDLIPZOQKUAZ-CABCVRRESA-N 0 3 306.406 2.144 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001220247567 802431089 /nfs/dbraw/zinc/43/10/89/802431089.db2.gz JCHGYAMEVYSFJS-SJORKVTESA-N 0 3 306.450 2.395 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCO[C@@H]1CCOC1 ZINC001234624844 802434265 /nfs/dbraw/zinc/43/42/65/802434265.db2.gz GPSJYRNFWBVQFO-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220293378 802441539 /nfs/dbraw/zinc/44/15/39/802441539.db2.gz FPJGUAOFGWBAIS-SOLBZPMBSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](O)C1 ZINC001220428276 802458821 /nfs/dbraw/zinc/45/88/21/802458821.db2.gz XKBXRFWUSGTMGI-SJORKVTESA-N 0 3 319.449 2.153 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001220845830 802504833 /nfs/dbraw/zinc/50/48/33/802504833.db2.gz FQSOJRNEXHNPMK-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001221048471 802524460 /nfs/dbraw/zinc/52/44/60/802524460.db2.gz RZCOYUOKNDCXIQ-NXHRZFHOSA-N 0 3 316.445 2.226 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCN(CCCOC(C)C)C[C@H]21 ZINC001221512799 802585101 /nfs/dbraw/zinc/58/51/01/802585101.db2.gz PDKMIOYENKNBJF-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(CCC[C@H](C)O)C[C@H]21 ZINC001221573550 802594289 /nfs/dbraw/zinc/59/42/89/802594289.db2.gz MCBIAGGMWHPDKL-CGTJXYLNSA-N 0 3 320.477 2.449 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(C[C@@H](C)OC)C[C@H]21 ZINC001221740356 802608727 /nfs/dbraw/zinc/60/87/27/802608727.db2.gz SZKSQBWMRFZZGO-BRWVUGGUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C1 ZINC001221799530 802616463 /nfs/dbraw/zinc/61/64/63/802616463.db2.gz VIZOHULCIGKPNN-QBPKDAKJSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001222072547 802637699 /nfs/dbraw/zinc/63/76/99/802637699.db2.gz KEGUBNDMMKDIFN-KGLIPLIRSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2CCN(CCOCC(F)F)[C@H]2C1 ZINC001222432030 802684181 /nfs/dbraw/zinc/68/41/81/802684181.db2.gz CYSMZPZJWNFOOE-KGLIPLIRSA-N 0 3 316.392 2.157 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC001223229314 802775402 /nfs/dbraw/zinc/77/54/02/802775402.db2.gz QHUDJBUBEHHKHJ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Oc2cccc(F)c2)CC1 ZINC001223294023 802779880 /nfs/dbraw/zinc/77/98/80/802779880.db2.gz CVYQQXUYEQXPIE-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC001224711628 802896822 /nfs/dbraw/zinc/89/68/22/802896822.db2.gz CJHAGUIDQOBAEU-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCc2scnc2C)CC1 ZINC001225056384 802932180 /nfs/dbraw/zinc/93/21/80/802932180.db2.gz UZQJEQLJBWZBGG-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC001225174801 802942004 /nfs/dbraw/zinc/94/20/04/802942004.db2.gz YGHYVOGUBFYMIW-ZDUSSCGKSA-N 0 3 304.356 2.426 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC2CCC(OC)CC2)CC1 ZINC001225703420 803003805 /nfs/dbraw/zinc/00/38/05/803003805.db2.gz UIDVJPUNYAYBEX-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC001225754893 803010582 /nfs/dbraw/zinc/01/05/82/803010582.db2.gz KHSRBIMACAEQFQ-KRWDZBQOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](CC)CC(F)F)CC1 ZINC001227784793 803278930 /nfs/dbraw/zinc/27/89/30/803278930.db2.gz YHSGMOMUFXIWSP-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001228130990 803323506 /nfs/dbraw/zinc/32/35/06/803323506.db2.gz UFKAIWBLYAMBIQ-BZUAXINKSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1CC ZINC001228269344 803336613 /nfs/dbraw/zinc/33/66/13/803336613.db2.gz GEBQDFUBJVXHAE-HZPDHXFCSA-N 0 3 319.453 2.171 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001228632006 803382961 /nfs/dbraw/zinc/38/29/61/803382961.db2.gz ZZKUHIGNRFCZOS-UHFFFAOYSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001228795262 803414739 /nfs/dbraw/zinc/41/47/39/803414739.db2.gz SZBWHLNYNUOSTM-GFCCVEGCSA-N 0 3 318.421 2.040 20 30 DEEDHN Cc1nc(OC2CCN(C)CC2)c(C#N)cc1Br ZINC001228797015 803414917 /nfs/dbraw/zinc/41/49/17/803414917.db2.gz BGWDJBWCELGZPV-UHFFFAOYSA-N 0 3 310.195 2.497 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001228828707 803418908 /nfs/dbraw/zinc/41/89/08/803418908.db2.gz JAQOJCAXLRIZRS-HUUCEWRRSA-N 0 3 323.481 2.130 20 30 DEEDHN COc1ccc(C2CC2)cc1CNC(=O)[C@H](N)CCCC#N ZINC001331376658 1149432575 /nfs/dbraw/zinc/43/25/75/1149432575.db2.gz XTTNPBOMHNCXKA-OAHLLOKOSA-N 0 3 301.390 2.210 20 30 DEEDHN CCc1n[nH]cc1C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001331492457 1149482894 /nfs/dbraw/zinc/48/28/94/1149482894.db2.gz VDLPSDDANJKYNV-OAHLLOKOSA-N 0 3 324.428 2.074 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)CCC3(C)CC3)CC2)C1 ZINC001328128895 1148726723 /nfs/dbraw/zinc/72/67/23/1148726723.db2.gz QIFBHHIQWSGAKH-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C)[nH]c1=O)C(C)C ZINC001419928230 1168947389 /nfs/dbraw/zinc/94/73/89/1168947389.db2.gz XDRKSPBYVUUJJD-ZDUSSCGKSA-N 0 3 311.813 2.192 20 30 DEEDHN Cc1ncsc1CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC001342917724 1150627883 /nfs/dbraw/zinc/62/78/83/1150627883.db2.gz BCWDAVJBWAJXJW-LLVKDONJSA-N 0 3 314.370 2.127 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC001343408765 1150740012 /nfs/dbraw/zinc/74/00/12/1150740012.db2.gz FQLHIXRDYILKFR-IAGOWNOFSA-N 0 3 322.497 2.153 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1C2CCC1(C(N)=O)CC2 ZINC001345095558 1150864681 /nfs/dbraw/zinc/86/46/81/1150864681.db2.gz HJNWQZGNZXYTFT-UUCFBXCCSA-N 0 3 309.454 2.073 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@]2(CCOC2=O)C1 ZINC001346210521 1150951894 /nfs/dbraw/zinc/95/18/94/1150951894.db2.gz UCYYNPFZWDBOJK-RHSMWYFYSA-N 0 3 310.438 2.230 20 30 DEEDHN C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C)C2)n1CCOC ZINC001523348136 1069640409 /nfs/dbraw/zinc/64/04/09/1069640409.db2.gz RNKCVNACPWKDIA-OAHLLOKOSA-N 0 3 321.469 2.136 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C(C)=C2CCCC2)CC1 ZINC001328518605 1148805536 /nfs/dbraw/zinc/80/55/36/1148805536.db2.gz AGRZKEMAAVFIEA-UHFFFAOYSA-N 0 3 306.450 2.396 20 30 DEEDHN C=CCCC[N@@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001602838374 1069774456 /nfs/dbraw/zinc/77/44/56/1069774456.db2.gz VQPYNHWAIHCHIM-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CCCC[N@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001602838374 1069774474 /nfs/dbraw/zinc/77/44/74/1069774474.db2.gz VQPYNHWAIHCHIM-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CCCC[N@@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001602838374 1069774492 /nfs/dbraw/zinc/77/44/92/1069774492.db2.gz VQPYNHWAIHCHIM-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CCCC[N@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001602838374 1069774507 /nfs/dbraw/zinc/77/45/07/1069774507.db2.gz VQPYNHWAIHCHIM-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001328559110 1148810189 /nfs/dbraw/zinc/81/01/89/1148810189.db2.gz RVUXROJQDVXGSS-KRWDZBQOSA-N 0 3 322.493 2.415 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001368515121 1148472866 /nfs/dbraw/zinc/47/28/66/1148472866.db2.gz LDXFEVSMGYDHJF-BBRMVZONSA-N 0 3 303.381 2.456 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001527554447 1070505887 /nfs/dbraw/zinc/50/58/87/1070505887.db2.gz ATTVGKHDYWAOIG-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(C)o1 ZINC001328717938 1148827446 /nfs/dbraw/zinc/82/74/46/1148827446.db2.gz DGJHVXZMZKKOEB-INIZCTEOSA-N 0 3 320.433 2.256 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1C=CC=CC=C1 ZINC001328737424 1148830005 /nfs/dbraw/zinc/83/00/05/1148830005.db2.gz NDTWNLHCAQTNQX-SFHVURJKSA-N 0 3 316.445 2.410 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C ZINC001351252839 1151503571 /nfs/dbraw/zinc/50/35/71/1151503571.db2.gz FMKDSMOGHQNTKP-KBPBESRZSA-N 0 3 303.454 2.035 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(CNCc2cncc(F)c2)CCCCC1 ZINC001369048271 1148834118 /nfs/dbraw/zinc/83/41/18/1148834118.db2.gz ROFQHVFHAWCDRF-CYBMUJFWSA-N 0 3 318.396 2.289 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnn(CC2CC2)c1 ZINC001328779548 1148834549 /nfs/dbraw/zinc/83/45/49/1148834549.db2.gz GTERQJUQTRWPDN-MRXNPFEDSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001328780256 1148834639 /nfs/dbraw/zinc/83/46/39/1148834639.db2.gz LXNAQFGFLRMZPO-KGLIPLIRSA-N 0 3 316.449 2.257 20 30 DEEDHN Cc1nc(CNCC2CC(NC(=O)C#CC(C)C)C2)sc1C ZINC001328852961 1148841816 /nfs/dbraw/zinc/84/18/16/1148841816.db2.gz VRXKAXGKPAMFEL-UHFFFAOYSA-N 0 3 319.474 2.404 20 30 DEEDHN CN1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C(C)(C)C1 ZINC001456155988 1057822833 /nfs/dbraw/zinc/82/28/33/1057822833.db2.gz BFCVLZUFTSVEPX-OAHLLOKOSA-N 0 3 315.417 2.172 20 30 DEEDHN COCCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001499877048 1058340765 /nfs/dbraw/zinc/34/07/65/1058340765.db2.gz DCIOVMCHFOWDAE-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@@](C)(C=C)CC)C2)CC1 ZINC001500018678 1058433968 /nfs/dbraw/zinc/43/39/68/1058433968.db2.gz MPJAWIXVYDFXBN-WMZOPIPTSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN(C(=O)c1ccccc1[O-])C1CC[NH+](CCC)CC1 ZINC001500028315 1058440507 /nfs/dbraw/zinc/44/05/07/1058440507.db2.gz HDPINSFANUXHMR-UHFFFAOYSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC001460757189 1058500043 /nfs/dbraw/zinc/50/00/43/1058500043.db2.gz ISGQCCLMVHGFMO-CQSZACIVSA-N 0 3 320.820 2.180 20 30 DEEDHN CC[C@H](C)C(=O)N1CCCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001500154217 1058526999 /nfs/dbraw/zinc/52/69/99/1058526999.db2.gz GEGYJSDYQNIKKE-PKOBYXMFSA-N 0 3 320.477 2.387 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001460976252 1058557620 /nfs/dbraw/zinc/55/76/20/1058557620.db2.gz SRYSCKACDWXWPB-BURFUSLBSA-N 0 3 321.465 2.320 20 30 DEEDHN C#CCOCCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001500220466 1058612241 /nfs/dbraw/zinc/61/22/41/1058612241.db2.gz SYHIAZCWVJNQST-QGZVFWFLSA-N 0 3 320.458 2.177 20 30 DEEDHN CCOC(=O)[C@]12CCC[C@@H]1C[C@@H](NCC1(C#N)CCOCC1)C2 ZINC001462656088 1058871920 /nfs/dbraw/zinc/87/19/20/1058871920.db2.gz SRCLXJAAWVJQGL-RKVPGOIHSA-N 0 3 320.433 2.408 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001500508596 1058872397 /nfs/dbraw/zinc/87/23/97/1058872397.db2.gz KMRVJFKOERLAOD-APWZRJJASA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2nn(C)cc2C)cc1 ZINC001501676499 1059627250 /nfs/dbraw/zinc/62/72/50/1059627250.db2.gz MMZLUDBQYWHPII-HNNXBMFYSA-N 0 3 324.428 2.332 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]nc2c1cccc2OC ZINC001467728751 1059693695 /nfs/dbraw/zinc/69/36/95/1059693695.db2.gz OSYWEXVXOOWCPW-UHFFFAOYSA-N 0 3 316.405 2.151 20 30 DEEDHN Cc1ncsc1CNC1(CNC(=O)C#CC(C)C)CCC1 ZINC001501948369 1059796997 /nfs/dbraw/zinc/79/69/97/1059796997.db2.gz MRIKSKHWSOGNCB-UHFFFAOYSA-N 0 3 305.447 2.239 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC001468783506 1059854136 /nfs/dbraw/zinc/85/41/36/1059854136.db2.gz XCMDDGHDCTVUIL-QGZVFWFLSA-N 0 3 315.461 2.489 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(C)cc2OC)CCC1 ZINC001502019009 1059874574 /nfs/dbraw/zinc/87/45/74/1059874574.db2.gz JCODSOQVAQFBLD-UHFFFAOYSA-N 0 3 300.402 2.269 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(CC)CCCCC2)CCO1 ZINC001502094861 1059925695 /nfs/dbraw/zinc/92/56/95/1059925695.db2.gz PBOATTMSIWYWGS-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)CC1 ZINC001502119082 1059954236 /nfs/dbraw/zinc/95/42/36/1059954236.db2.gz PWRPGWXECCOIAL-GOSISDBHSA-N 0 3 318.461 2.497 20 30 DEEDHN CCCC[C@@H](C)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001502120995 1059958057 /nfs/dbraw/zinc/95/80/57/1059958057.db2.gz CSGGXLUIYBAWJG-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC001502396962 1060106956 /nfs/dbraw/zinc/10/69/56/1060106956.db2.gz LCRJVZDXOXRAAR-UHFFFAOYSA-N 0 3 315.417 2.062 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](OCC)C2CC2)C1 ZINC001369170965 1148860354 /nfs/dbraw/zinc/86/03/54/1148860354.db2.gz YJVZPJAZDJUKHL-MRVWCRGKSA-N 0 3 300.830 2.038 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C[C@H](C)n2ccnc2)C(C)(C)C1 ZINC001502834458 1060345629 /nfs/dbraw/zinc/34/56/29/1060345629.db2.gz LFKVQTGJKFHEEP-JKSUJKDBSA-N 0 3 316.449 2.074 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C/C=C(\C)C=C)CCO2 ZINC001503700689 1060460329 /nfs/dbraw/zinc/46/03/29/1060460329.db2.gz NSOBIHBKLQNLMO-OMCISZLKSA-N 0 3 304.434 2.388 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001505376758 1060513790 /nfs/dbraw/zinc/51/37/90/1060513790.db2.gz NXEMJYRBXRNKSS-GJZGRUSLSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C2CC2)nn1C ZINC001505431866 1060583386 /nfs/dbraw/zinc/58/33/86/1060583386.db2.gz AKDFQZZATPXOBK-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCO2 ZINC001505446673 1060612015 /nfs/dbraw/zinc/61/20/15/1060612015.db2.gz QIEPZPRAANQRCN-MRXNPFEDSA-N 0 3 300.402 2.344 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnn(C)c1C(F)F ZINC001505455887 1060625694 /nfs/dbraw/zinc/62/56/94/1060625694.db2.gz KMZSKKIHGBCBKT-NSHDSACASA-N 0 3 312.364 2.080 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001505588813 1060747874 /nfs/dbraw/zinc/74/78/74/1060747874.db2.gz QJJYTHCHPOMTSF-GJZGRUSLSA-N 0 3 320.396 2.034 20 30 DEEDHN COc1cc(CN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)ccc1Cl ZINC001505887261 1061088918 /nfs/dbraw/zinc/08/89/18/1061088918.db2.gz OPEAKDUOBIPWQD-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)Cc1cccc(C#N)c1 ZINC001505911752 1061123342 /nfs/dbraw/zinc/12/33/42/1061123342.db2.gz CVIGCJMGXDYJGD-CQDKDKBSSA-N 0 3 321.371 2.396 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001479254532 1061334837 /nfs/dbraw/zinc/33/48/37/1061334837.db2.gz OSCSIAUJAGEQFV-OAHLLOKOSA-N 0 3 319.453 2.280 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncccc1OC ZINC001479263727 1061346452 /nfs/dbraw/zinc/34/64/52/1061346452.db2.gz NNWJWPAIHFADIX-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001479321946 1061393361 /nfs/dbraw/zinc/39/33/61/1061393361.db2.gz KZSQVFNZYPFGCQ-FZNQNYSPSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCCOCC)C(C)(C)[C@H]21 ZINC001479612185 1061519815 /nfs/dbraw/zinc/51/98/15/1061519815.db2.gz JSLFKSQCIIPNED-NJAFHUGGSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCO[C@@H]2CC2(F)F)[C@@H]1CC ZINC001479631696 1061542021 /nfs/dbraw/zinc/54/20/21/1061542021.db2.gz YLULOLFYZIQNOW-BFHYXJOUSA-N 0 3 316.392 2.346 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC001329085021 1148863942 /nfs/dbraw/zinc/86/39/42/1148863942.db2.gz HYBDLJOCDJMPMF-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)[C@H]1C ZINC001479727488 1061646628 /nfs/dbraw/zinc/64/66/28/1061646628.db2.gz HYISJLNPRJSUHT-KEYYUXOJSA-N 0 3 318.392 2.195 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)[C@H]1C ZINC001479730538 1061651710 /nfs/dbraw/zinc/65/17/10/1061651710.db2.gz KQPZHJLHJNDBHP-BDAKNGLRSA-N 0 3 300.271 2.339 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCCO1 ZINC001479735160 1061658480 /nfs/dbraw/zinc/65/84/80/1061658480.db2.gz UXCBGYBPLFMSDM-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCC1(C(=O)NCCCN(C)CC#CCOC)CCCCC1 ZINC001479816026 1061830755 /nfs/dbraw/zinc/83/07/55/1061830755.db2.gz MPQPMBWGNBYXGR-UHFFFAOYSA-N 0 3 318.461 2.048 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccn(C)n1 ZINC001479825546 1061844919 /nfs/dbraw/zinc/84/49/19/1061844919.db2.gz VXVIDFHFEKPNIE-HIFRSBDPSA-N 0 3 324.856 2.074 20 30 DEEDHN CC#CCN(CCCNC(=O)C1(c2ccccn2)CC1)C1CC1 ZINC001479868739 1061953201 /nfs/dbraw/zinc/95/32/01/1061953201.db2.gz KYZBDDBTVDDXGE-UHFFFAOYSA-N 0 3 311.429 2.107 20 30 DEEDHN COCC#CCN(CCCNC(=O)C[C@@H]1CC=CCC1)C1CC1 ZINC001479873745 1061968895 /nfs/dbraw/zinc/96/88/95/1061968895.db2.gz MARUHKDWVDJYSD-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(Cl)cn1CC)C1CC1 ZINC001479880157 1061978802 /nfs/dbraw/zinc/97/88/02/1061978802.db2.gz PRPRVROZXGSARA-UHFFFAOYSA-N 0 3 307.825 2.379 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](CNC(=O)C(C)C)C1CC1 ZINC001480003977 1062173571 /nfs/dbraw/zinc/17/35/71/1062173571.db2.gz RMOXOVNBRMRGDL-MRXNPFEDSA-N 0 3 315.417 2.207 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001506661567 1062249433 /nfs/dbraw/zinc/24/94/33/1062249433.db2.gz BGWRCWXUZOMKCW-NSHDSACASA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001506659332 1062252203 /nfs/dbraw/zinc/25/22/03/1062252203.db2.gz KBHQKPICQIZTNP-GFCCVEGCSA-N 0 3 317.458 2.023 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001506708062 1062296086 /nfs/dbraw/zinc/29/60/86/1062296086.db2.gz DOKCPVLNSIDYKO-YJBOKZPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](C)c2ccncc2)C(C)(C)C1 ZINC001506740228 1062339111 /nfs/dbraw/zinc/33/91/11/1062339111.db2.gz BGTKCBBPDUEFKA-NVXWUHKLSA-N 0 3 313.445 2.425 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001480116929 1062344144 /nfs/dbraw/zinc/34/41/44/1062344144.db2.gz GTKKKQLDQFCDOG-WNRNVDISSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cc(C)on2)C(C)(C)C1 ZINC001506744786 1062351644 /nfs/dbraw/zinc/35/16/44/1062351644.db2.gz BHXAGESPFRYHNF-OAHLLOKOSA-N 0 3 305.422 2.318 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2)C1 ZINC001480174247 1062426820 /nfs/dbraw/zinc/42/68/20/1062426820.db2.gz BAPXKAAFGCDANJ-HDJSIYSDSA-N 0 3 307.825 2.112 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001480226326 1062487954 /nfs/dbraw/zinc/48/79/54/1062487954.db2.gz PPSSVWSKQNBQQF-BETUJISGSA-N 0 3 319.453 2.267 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)COc1ccccc1C ZINC001480331520 1062662885 /nfs/dbraw/zinc/66/28/85/1062662885.db2.gz SXJQVTSSAFOMJE-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCC(=O)NCCCC ZINC001480357456 1062707749 /nfs/dbraw/zinc/70/77/49/1062707749.db2.gz UIYGCRHWCYWHCL-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001480371742 1062733673 /nfs/dbraw/zinc/73/36/73/1062733673.db2.gz FEMDLTSVRIAGNH-LSDHHAIUSA-N 0 3 320.458 2.228 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCC(=O)N1CCCCC1 ZINC001507113490 1062854461 /nfs/dbraw/zinc/85/44/61/1062854461.db2.gz OIABKTKMTSXUJF-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@H]1OCc2ccccc21 ZINC001507148364 1062915676 /nfs/dbraw/zinc/91/56/76/1062915676.db2.gz QGUACFRTRIXFRD-RHSMWYFYSA-N 0 3 300.402 2.108 20 30 DEEDHN C[C@H](CNC(=O)C1(C)CCC1)NCc1ccc(F)c(C#N)c1 ZINC001480518740 1062979748 /nfs/dbraw/zinc/97/97/48/1062979748.db2.gz QQKPGGOWOYDYKT-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001480522466 1062982028 /nfs/dbraw/zinc/98/20/28/1062982028.db2.gz RZSMEJSEVGSSRO-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NCc2cccc(CC)c2)C1 ZINC001507234581 1062986248 /nfs/dbraw/zinc/98/62/48/1062986248.db2.gz YGHTYFIQUXTVTQ-KRWDZBQOSA-N 0 3 316.445 2.172 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)[C@H](F)CC1CCCCC1 ZINC001480574107 1063057555 /nfs/dbraw/zinc/05/75/55/1063057555.db2.gz MCKIACQYNARFJY-GDBMZVCRSA-N 0 3 312.429 2.039 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001507307456 1063068850 /nfs/dbraw/zinc/06/88/50/1063068850.db2.gz USMKIUFDNYRFLW-PBHICJAKSA-N 0 3 323.396 2.227 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001480599053 1063093888 /nfs/dbraw/zinc/09/38/88/1063093888.db2.gz YVQDCUNLCXBFQL-LSDHHAIUSA-N 0 3 320.408 2.063 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3c2ccn3C)C1 ZINC001507324077 1063095380 /nfs/dbraw/zinc/09/53/80/1063095380.db2.gz HGCDBOBPRBJPDI-CABCVRRESA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc3nc(C)sc3c2)C1 ZINC001480622828 1063118004 /nfs/dbraw/zinc/11/80/04/1063118004.db2.gz MEGHJUUGUXQGTP-AWEZNQCLSA-N 0 3 313.426 2.432 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C(F)(F)F)CC2)[C@H]1C ZINC001507386108 1063210407 /nfs/dbraw/zinc/21/04/07/1063210407.db2.gz UIYQRHIVKPQSQK-NEPJUHHUSA-N 0 3 302.340 2.321 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001507401157 1063232678 /nfs/dbraw/zinc/23/26/78/1063232678.db2.gz SQGXZTDZEFSJAT-HOTGVXAUSA-N 0 3 318.465 2.459 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001480725870 1063257036 /nfs/dbraw/zinc/25/70/36/1063257036.db2.gz SIOROUVRZLQHHL-RDJZCZTQSA-N 0 3 322.474 2.498 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001507420606 1063262577 /nfs/dbraw/zinc/26/25/77/1063262577.db2.gz AXOVMQXXHRVJET-MRXNPFEDSA-N 0 3 318.417 2.035 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001507425899 1063269020 /nfs/dbraw/zinc/26/90/20/1063269020.db2.gz QKQOMFWJGVZZBZ-NVXWUHKLSA-N 0 3 309.413 2.024 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2c(cn1)OCCC2 ZINC001480806396 1063367583 /nfs/dbraw/zinc/36/75/83/1063367583.db2.gz CPMZVJLIIQKAOF-GFCCVEGCSA-N 0 3 323.824 2.257 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cccc2c1CCCC2 ZINC001507637320 1063371348 /nfs/dbraw/zinc/37/13/48/1063371348.db2.gz OQJRTDGBPUGFSL-INIZCTEOSA-N 0 3 316.445 2.116 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc2ccsc21 ZINC001507714375 1063389460 /nfs/dbraw/zinc/38/94/60/1063389460.db2.gz CUICLSCGYMYGCH-CQSZACIVSA-N 0 3 318.442 2.452 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1ccccc1C ZINC001507741969 1063402132 /nfs/dbraw/zinc/40/21/32/1063402132.db2.gz HOLWTKOJJFWZFS-MRXNPFEDSA-N 0 3 318.461 2.210 20 30 DEEDHN CN(C(=O)C#CC1CC1)C1CC(NCc2ccccc2F)C1 ZINC001508106392 1063561550 /nfs/dbraw/zinc/56/15/50/1063561550.db2.gz RBROAMJQPKVACK-UHFFFAOYSA-N 0 3 300.377 2.318 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COC/C=C\c1ccccc1 ZINC001493111336 1063577497 /nfs/dbraw/zinc/57/74/97/1063577497.db2.gz NIUWNRFRLCNHJS-IEODJVTJSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cn2nc(C)cc2C(F)F)CC1 ZINC001508207438 1063608114 /nfs/dbraw/zinc/60/81/14/1063608114.db2.gz UBGWTSMNGAGHTE-UHFFFAOYSA-N 0 3 324.375 2.063 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001493200637 1063633379 /nfs/dbraw/zinc/63/33/79/1063633379.db2.gz ICWPIPHYCXLZIN-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001493235992 1063658745 /nfs/dbraw/zinc/65/87/45/1063658745.db2.gz IUVNUHHCNYKIFN-HOTGVXAUSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001493240395 1063661940 /nfs/dbraw/zinc/66/19/40/1063661940.db2.gz KPBOZXWQNOKGIZ-HNNXBMFYSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001493321569 1063716179 /nfs/dbraw/zinc/71/61/79/1063716179.db2.gz HSTJIKDVIAPOOX-ZWKOTPCHSA-N 0 3 314.429 2.260 20 30 DEEDHN CC(C)[C@H](F)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001493665654 1063905960 /nfs/dbraw/zinc/90/59/60/1063905960.db2.gz WTSFMIKKJUHQCQ-HNNXBMFYSA-N 0 3 309.360 2.239 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CCc1ncccn1)c1ccccc1 ZINC001493900425 1064016598 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C=CCCCCCN1CC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001567797096 1064427161 /nfs/dbraw/zinc/42/71/61/1064427161.db2.gz QHPSKOWIEWUDER-HUUCEWRRSA-N 0 3 302.422 2.060 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001567873599 1064477411 /nfs/dbraw/zinc/47/74/11/1064477411.db2.gz ZBDIHACSLAZZRZ-HKUYNNGSSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CCCO)C2)CCCCC1 ZINC001567928716 1064532909 /nfs/dbraw/zinc/53/29/09/1064532909.db2.gz NYXCIAVHXLHMJD-INIZCTEOSA-N 0 3 308.466 2.428 20 30 DEEDHN Cc1cnc(CNCC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001568049762 1064618580 /nfs/dbraw/zinc/61/85/80/1064618580.db2.gz FQOVGCAGSKJXOK-JSGCOSHPSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001568050845 1064618724 /nfs/dbraw/zinc/61/87/24/1064618724.db2.gz IBEQRKSGMUJRRM-AWEZNQCLSA-N 0 3 302.846 2.382 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001568053737 1064622340 /nfs/dbraw/zinc/62/23/40/1064622340.db2.gz 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C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001495399805 1064883209 /nfs/dbraw/zinc/88/32/09/1064883209.db2.gz YWOYMZINBJFMGC-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001568488010 1064905506 /nfs/dbraw/zinc/90/55/06/1064905506.db2.gz RPNDUTAOKXQSCX-GOSISDBHSA-N 0 3 314.429 2.218 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1nccn1C ZINC001568533285 1064943054 /nfs/dbraw/zinc/94/30/54/1064943054.db2.gz PDLYVCJHQDDAKR-KGLIPLIRSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2[nH]ccc2n1 ZINC001568657239 1065027159 /nfs/dbraw/zinc/02/71/59/1065027159.db2.gz YQXVLTUNZKGYPA-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CCNCc2ocnc2C)cc1 ZINC001568661209 1065027986 /nfs/dbraw/zinc/02/79/86/1065027986.db2.gz CEGHQXOCNAVVJC-CYBMUJFWSA-N 0 3 311.385 2.263 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001568700389 1065061193 /nfs/dbraw/zinc/06/11/93/1065061193.db2.gz 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C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2cnns2)C1 ZINC001267080525 1078554812 /nfs/dbraw/zinc/55/48/12/1078554812.db2.gz AULOXZUWBQNTPD-CHWSQXEVSA-N 0 3 308.451 2.411 20 30 DEEDHN Cc1cc(CN2CCC[C@H]2CCCNC(=O)C#CC2CC2)on1 ZINC001267164349 1078627194 /nfs/dbraw/zinc/62/71/94/1078627194.db2.gz IGGLVYVJMFZKOA-MRXNPFEDSA-N 0 3 315.417 2.257 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]1CN(C)CCOC1CCC1 ZINC001570530217 1067988097 /nfs/dbraw/zinc/98/80/97/1067988097.db2.gz GVAGICUUIWZLFN-INIZCTEOSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(Cl)n[nH]c1CC ZINC001570533373 1067989764 /nfs/dbraw/zinc/98/97/64/1067989764.db2.gz ZSOLXTGUCGYXPC-LLVKDONJSA-N 0 3 310.829 2.348 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)NCc2cnc(C)cn2)CC1 ZINC001267174468 1078638318 /nfs/dbraw/zinc/63/83/18/1078638318.db2.gz YKIZKAPLJKNJFR-OAHLLOKOSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1c(C)nn(CC)c1C ZINC001640019841 1078637436 /nfs/dbraw/zinc/63/74/36/1078637436.db2.gz KXGVTHMTGLGCPZ-UHFFFAOYSA-N 0 3 306.454 2.029 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ncccn1 ZINC001267177216 1078641295 /nfs/dbraw/zinc/64/12/95/1078641295.db2.gz RBQVLIHHDAHWCO-CYBMUJFWSA-N 0 3 308.813 2.204 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)CCOCC(F)F)C1 ZINC001570734300 1068102604 /nfs/dbraw/zinc/10/26/04/1068102604.db2.gz QVAZHEYYFNWZCU-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001570749247 1068107685 /nfs/dbraw/zinc/10/76/85/1068107685.db2.gz QDINPIKNNBSQNA-KBPBESRZSA-N 0 3 308.397 2.353 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCOc2cccc(F)c2)C1 ZINC001570843357 1068137546 /nfs/dbraw/zinc/13/75/46/1068137546.db2.gz HAJXNESXQVNERI-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001570947888 1068164397 /nfs/dbraw/zinc/16/43/97/1068164397.db2.gz KUDAIFXAALVIFH-CNDDSTCGSA-N 0 3 304.356 2.445 20 30 DEEDHN C=CCCC(=O)NCC1(NCc2cccc(NC(C)=O)c2)CC1 ZINC001670755010 1078670611 /nfs/dbraw/zinc/67/06/11/1078670611.db2.gz HXGQZJJRHYOVJT-UHFFFAOYSA-N 0 3 315.417 2.350 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(OC)ccn1 ZINC001571292883 1068212021 /nfs/dbraw/zinc/21/20/21/1068212021.db2.gz TZCXCBRBJVSEPV-GFCCVEGCSA-N 0 3 311.813 2.331 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnc(C)nc1C ZINC001571318379 1068217380 /nfs/dbraw/zinc/21/73/80/1068217380.db2.gz JKHGXWRKEZGEQF-NSHDSACASA-N 0 3 310.829 2.334 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCC(N(C)CCF)CC1)OCC ZINC001571331205 1068226719 /nfs/dbraw/zinc/22/67/19/1068226719.db2.gz MRQMFVQHJFJNDD-HNNXBMFYSA-N 0 3 300.418 2.250 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC1(C)CCCC1 ZINC001571385268 1068266669 /nfs/dbraw/zinc/26/66/69/1068266669.db2.gz DOYUKPZULZJEQN-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1cn(C)nc1C ZINC001571404656 1068278740 /nfs/dbraw/zinc/27/87/40/1068278740.db2.gz PTOAQDRWNDFCLW-SUMWQHHRSA-N 0 3 306.454 2.267 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1sc(CC2CC2)nc1C ZINC001571410741 1068281083 /nfs/dbraw/zinc/28/10/83/1068281083.db2.gz PVAFLHBXFYLLGG-GFCCVEGCSA-N 0 3 319.474 2.477 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cnn(C2CCCC2)c1C ZINC001571413124 1068283036 /nfs/dbraw/zinc/28/30/36/1068283036.db2.gz MPTKQMGQHPFKJC-CQSZACIVSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCN(C)CCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001267228926 1078681235 /nfs/dbraw/zinc/68/12/35/1078681235.db2.gz ADGIBFTVMSUXQC-UHFFFAOYSA-N 0 3 304.821 2.443 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2ccc3ccccc32)C1 ZINC001571493518 1068351851 /nfs/dbraw/zinc/35/18/51/1068351851.db2.gz RVUQLEVXFZDIQV-DOTOQJQBSA-N 0 3 309.413 2.244 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)c2ccc(C)s2)CC1(C)C ZINC001571552540 1068416483 /nfs/dbraw/zinc/41/64/83/1068416483.db2.gz ZFYXKXTVPYHMLE-HNNXBMFYSA-N 0 3 320.458 2.147 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc2ccccc21 ZINC001571608412 1068438281 /nfs/dbraw/zinc/43/82/81/1068438281.db2.gz GHPPDCGMOHKCIT-MRXNPFEDSA-N 0 3 312.413 2.391 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)C1CCN(Cc2ccccn2)CC1 ZINC001571643991 1068456412 /nfs/dbraw/zinc/45/64/12/1068456412.db2.gz YUPKSVWNFSSRKF-MRXNPFEDSA-N 0 3 313.445 2.458 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)[C@]2(C)C=CCC2)CC1 ZINC001571649605 1068458534 /nfs/dbraw/zinc/45/85/34/1068458534.db2.gz LQOSFEUWDFWORF-QFBILLFUSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001267278723 1078724984 /nfs/dbraw/zinc/72/49/84/1078724984.db2.gz OYNYGYMOBWEBFL-DOMZBBRYSA-N 0 3 304.438 2.287 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(CCCCC)n[nH]1 ZINC001267279218 1078726044 /nfs/dbraw/zinc/72/60/44/1078726044.db2.gz ZRDHZXWIJHUMRW-MRXNPFEDSA-N 0 3 316.449 2.360 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001267280187 1078726293 /nfs/dbraw/zinc/72/62/93/1078726293.db2.gz BBRWWJNEZXESRU-HZPDHXFCSA-N 0 3 300.402 2.058 20 30 DEEDHN C=C(C)CCC(=O)NC1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001571738484 1068508336 /nfs/dbraw/zinc/50/83/36/1068508336.db2.gz WERIFOKQDLAIGG-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001267305580 1078751280 /nfs/dbraw/zinc/75/12/80/1078751280.db2.gz LNWVFXNVYCSZRZ-IAGOWNOFSA-N 0 3 314.429 2.224 20 30 DEEDHN C=C(C)CC[N@H+](CCC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001267313918 1078757714 /nfs/dbraw/zinc/75/77/14/1078757714.db2.gz BAEBKEXRHIIHPS-UHFFFAOYSA-N 0 3 315.421 2.366 20 30 DEEDHN C=C(C)CC[N@@H+](CCC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001267313918 1078757716 /nfs/dbraw/zinc/75/77/16/1078757716.db2.gz BAEBKEXRHIIHPS-UHFFFAOYSA-N 0 3 315.421 2.366 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)Cc1cccc(OC)c1 ZINC001515371590 1068873097 /nfs/dbraw/zinc/87/30/97/1068873097.db2.gz NOFSKOJLRSCVOE-BBRMVZONSA-N 0 3 314.385 2.275 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCO[C@H]1C=C)c1ccccc1 ZINC001267371483 1078800745 /nfs/dbraw/zinc/80/07/45/1078800745.db2.gz YXOUOSCQXRWDNM-ZACQAIPSSA-N 0 3 300.402 2.211 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C=C)c1ccccc1 ZINC001267371481 1078801654 /nfs/dbraw/zinc/80/16/54/1078801654.db2.gz YXOUOSCQXRWDNM-IKGGRYGDSA-N 0 3 300.402 2.211 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC)OCC ZINC001267410526 1078832861 /nfs/dbraw/zinc/83/28/61/1078832861.db2.gz SHAKKBMYJOPIQO-NCOADZHNSA-N 0 3 324.465 2.068 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)OC)OCC ZINC001267409321 1078837971 /nfs/dbraw/zinc/83/79/71/1078837971.db2.gz DOTTZCLKMYWDJO-WCXIOVBPSA-N 0 3 324.465 2.068 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CCNCc2cccc(OC)n2)C1 ZINC001272375257 1078840468 /nfs/dbraw/zinc/84/04/68/1078840468.db2.gz DRCMBTDFDPKIOR-HNNXBMFYSA-N 0 3 317.433 2.385 20 30 DEEDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(C#N)c(OC)c1 ZINC001573721067 1069080998 /nfs/dbraw/zinc/08/09/98/1069080998.db2.gz WYCYOVWGKDRAQC-LSDHHAIUSA-N 0 3 301.390 2.169 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)N(C)CCCOc2ccccc2)C1 ZINC001644470274 1078847408 /nfs/dbraw/zinc/84/74/08/1078847408.db2.gz WGXVGFPEIIVVLQ-KRWDZBQOSA-N 0 3 314.429 2.259 20 30 DEEDHN COCC[C@@H](N)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001573974006 1069138899 /nfs/dbraw/zinc/13/88/99/1069138899.db2.gz DKNDJUURBSWHDR-HUUCEWRRSA-N 0 3 303.406 2.029 20 30 DEEDHN Cc1cc(C(=O)N(C)CCNCc2ccc(C#N)cc2)ccn1 ZINC001267444325 1078856079 /nfs/dbraw/zinc/85/60/79/1078856079.db2.gz ZBVYIURBIQBPSI-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(=O)OC ZINC001644822432 1078863845 /nfs/dbraw/zinc/86/38/45/1078863845.db2.gz DQWWTOMXYWRNJS-CABCVRRESA-N 0 3 310.438 2.121 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC001521595984 1069255533 /nfs/dbraw/zinc/25/55/33/1069255533.db2.gz FIYWJSYYBUXZEN-MRXNPFEDSA-N 0 3 317.433 2.454 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCSC[C@H]1c1nccs1 ZINC001574903037 1069292885 /nfs/dbraw/zinc/29/28/85/1069292885.db2.gz KECPBDZRGFRBMI-NEPJUHHUSA-N 0 3 311.476 2.443 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC001574908451 1069294984 /nfs/dbraw/zinc/29/49/84/1069294984.db2.gz OKYFYSZEMPZUGH-JTQLQIEISA-N 0 3 317.311 2.033 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cc(C(F)(F)F)nn1C ZINC001645453169 1078901726 /nfs/dbraw/zinc/90/17/26/1078901726.db2.gz FJJMBRBBOPWDAW-UHFFFAOYSA-N 0 3 304.360 2.379 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cnn(C)c2CC)C1 ZINC001272486116 1078918529 /nfs/dbraw/zinc/91/85/29/1078918529.db2.gz NVWAPGXFWQIVMK-CYBMUJFWSA-N 0 3 324.856 2.177 20 30 DEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001317548179 1078946829 /nfs/dbraw/zinc/94/68/29/1078946829.db2.gz UVJUOPKVFKBUSJ-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)nn(C)c1C ZINC001272543689 1078956497 /nfs/dbraw/zinc/95/64/97/1078956497.db2.gz OTRGTQMNCSZPKX-IAGOWNOFSA-N 0 3 316.449 2.178 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3ccc(CO)cc3)CC2)C1=O ZINC001272565100 1078963726 /nfs/dbraw/zinc/96/37/26/1078963726.db2.gz IOLQVYMUZYQFJG-UHFFFAOYSA-N 0 3 314.429 2.179 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cn(CC)nc2C)C1 ZINC001272581020 1078980841 /nfs/dbraw/zinc/98/08/41/1078980841.db2.gz CHPQPYAXPIGSCF-CQSZACIVSA-N 0 3 324.856 2.406 20 30 DEEDHN CC[C@H](CC(=O)NCC1(NCC#CCOC)CC1)C(C)(C)C ZINC001670885471 1079068889 /nfs/dbraw/zinc/06/88/89/1079068889.db2.gz RUNJRMPBDBITQR-OAHLLOKOSA-N 0 3 308.466 2.337 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cncnc1 ZINC001272669889 1079099561 /nfs/dbraw/zinc/09/95/61/1079099561.db2.gz IMMSFRRFOCCCIR-UHFFFAOYSA-N 0 3 310.401 2.415 20 30 DEEDHN CN(C)C1(C)CN(C(F)(F)c2cnc(Cl)cc2C#N)C1 ZINC001165121283 1090031323 /nfs/dbraw/zinc/03/13/23/1090031323.db2.gz SOIPIRVITKOFHE-UHFFFAOYSA-N 0 3 300.740 2.292 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051736 1079129812 /nfs/dbraw/zinc/12/98/12/1079129812.db2.gz GLVHFTASHAHZMU-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051736 1079129814 /nfs/dbraw/zinc/12/98/14/1079129814.db2.gz GLVHFTASHAHZMU-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051734 1079130011 /nfs/dbraw/zinc/13/00/11/1079130011.db2.gz GLVHFTASHAHZMU-JSGCOSHPSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051734 1079130018 /nfs/dbraw/zinc/13/00/18/1079130018.db2.gz GLVHFTASHAHZMU-JSGCOSHPSA-N 0 3 318.421 2.040 20 30 DEEDHN CC(=NO)[C@@H]1C[C@@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1(C)C ZINC001550368153 1073618653 /nfs/dbraw/zinc/61/86/53/1073618653.db2.gz LWASPEHVRAXOET-RCBQFDQVSA-N 0 3 321.465 2.442 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001483830381 1079141703 /nfs/dbraw/zinc/14/17/03/1079141703.db2.gz NNHOWDLKLPQFRE-SJLPKXTDSA-N 0 3 324.440 2.089 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001481108335 1079192405 /nfs/dbraw/zinc/19/24/05/1079192405.db2.gz UVLLSRYGJYTRIJ-HNNXBMFYSA-N 0 3 304.438 2.023 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccn(C)n2)C[C@@H]1C ZINC001671246251 1079228348 /nfs/dbraw/zinc/22/83/48/1079228348.db2.gz RKOYFJMJKMBLOC-HOTGVXAUSA-N 0 3 316.449 2.083 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2ccn(C)n2)C[C@@H]1C ZINC001671246256 1079228948 /nfs/dbraw/zinc/22/89/48/1079228948.db2.gz RKOYFJMJKMBLOC-JKSUJKDBSA-N 0 3 316.449 2.083 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)COC(C)C)C2 ZINC001484019784 1079245507 /nfs/dbraw/zinc/24/55/07/1079245507.db2.gz KPNHIYGTMIFTOO-GOSISDBHSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001484028495 1079254511 /nfs/dbraw/zinc/25/45/11/1079254511.db2.gz ZHHQVOIHHBOCSF-SFHVURJKSA-N 0 3 302.418 2.392 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cncnc1C(C)C ZINC001481154350 1079262666 /nfs/dbraw/zinc/26/26/66/1079262666.db2.gz RRAKICHCWODJFG-UHFFFAOYSA-N 0 3 302.422 2.065 20 30 DEEDHN N#CCSCC(=O)NCCN(CC1=CCCCC1)C1CC1 ZINC001481159054 1079269246 /nfs/dbraw/zinc/26/92/46/1079269246.db2.gz IFSOHLQSBMRSSK-UHFFFAOYSA-N 0 3 307.463 2.324 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001484057304 1079277948 /nfs/dbraw/zinc/27/79/48/1079277948.db2.gz HYJZRKVGIMCXLN-WMLDXEAASA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC001481173737 1079290613 /nfs/dbraw/zinc/29/06/13/1079290613.db2.gz IUHPTBWWTUEABX-INIZCTEOSA-N 0 3 313.445 2.280 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001267633557 1079318162 /nfs/dbraw/zinc/31/81/62/1079318162.db2.gz DDJVGVNMYABPEK-ROUUACIJSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2cnccc2C)C1 ZINC001484160917 1079336510 /nfs/dbraw/zinc/33/65/10/1079336510.db2.gz PRXSVRNAASEZLC-GOSISDBHSA-N 0 3 301.434 2.337 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001484174229 1079345631 /nfs/dbraw/zinc/34/56/31/1079345631.db2.gz PBHDPSJFGUUGJH-QGZVFWFLSA-N 0 3 304.438 2.092 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccnc2N(C)C)C1 ZINC001484176829 1079346887 /nfs/dbraw/zinc/34/68/87/1079346887.db2.gz XKAHDPVKGSYZGG-GOSISDBHSA-N 0 3 316.449 2.166 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCOc1cccc(C)c1C ZINC001567504511 1075058815 /nfs/dbraw/zinc/05/88/15/1075058815.db2.gz MULQAAYOAISJMX-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CC[C@@H](NCc2conc2CC)C1 ZINC001565894070 1075076293 /nfs/dbraw/zinc/07/62/93/1075076293.db2.gz RBEKODPTDCAOSM-GOEBONIOSA-N 0 3 317.433 2.415 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001559797657 1075128471 /nfs/dbraw/zinc/12/84/71/1075128471.db2.gz VXXSVQWZOODEOA-QGZVFWFLSA-N 0 3 307.482 2.360 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001484245455 1079366261 /nfs/dbraw/zinc/36/62/61/1079366261.db2.gz RCNIUKWVWRJTJW-INIZCTEOSA-N 0 3 323.462 2.009 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2sccc2Cl)C1 ZINC001484220606 1079362425 /nfs/dbraw/zinc/36/24/25/1079362425.db2.gz YJZZJONPHBXLGT-CQSZACIVSA-N 0 3 314.838 2.144 20 30 DEEDHN C#CCN1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 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C#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001588335163 1076442002 /nfs/dbraw/zinc/44/20/02/1076442002.db2.gz AGTNJBJTJBAGTL-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001588335163 1076442004 /nfs/dbraw/zinc/44/20/04/1076442004.db2.gz AGTNJBJTJBAGTL-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C=CCC[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582797 1076456494 /nfs/dbraw/zinc/45/64/94/1076456494.db2.gz OOGOYOBJDZQRKO-JKSUJKDBSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582797 1076456498 /nfs/dbraw/zinc/45/64/98/1076456498.db2.gz OOGOYOBJDZQRKO-JKSUJKDBSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582797 1076456501 /nfs/dbraw/zinc/45/65/01/1076456501.db2.gz OOGOYOBJDZQRKO-JKSUJKDBSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582797 1076456503 /nfs/dbraw/zinc/45/65/03/1076456503.db2.gz OOGOYOBJDZQRKO-JKSUJKDBSA-N 0 3 313.405 2.331 20 30 DEEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1nnn[n-]1 ZINC001591146382 1076714070 /nfs/dbraw/zinc/71/40/70/1076714070.db2.gz WWPLRMLIBZIDOE-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1nnn[n-]1 ZINC001591146382 1076714071 /nfs/dbraw/zinc/71/40/71/1076714071.db2.gz WWPLRMLIBZIDOE-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1nn[n-]n1 ZINC001591146382 1076714072 /nfs/dbraw/zinc/71/40/72/1076714072.db2.gz WWPLRMLIBZIDOE-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1nn[n-]n1 ZINC001591146382 1076714077 /nfs/dbraw/zinc/71/40/77/1076714077.db2.gz WWPLRMLIBZIDOE-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN Cn1cc(CNCc2ccc(=O)[nH]c2)c(-c2ccc(C#N)cc2)n1 ZINC001620898011 1076743508 /nfs/dbraw/zinc/74/35/08/1076743508.db2.gz FGXZBEXLNQRVTA-UHFFFAOYSA-N 0 3 319.368 2.349 20 30 DEEDHN 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C#CCN1CC[C@@H](NC(=O)CCc2ccc(F)cc2)C[C@@H]1C ZINC001484984536 1079898291 /nfs/dbraw/zinc/89/82/91/1079898291.db2.gz ZUEKQFVACFBEAV-WMLDXEAASA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCCC(=O)N1CCC2(CC1)CN(CCC1CC1)CCO2 ZINC001485007995 1079915089 /nfs/dbraw/zinc/91/50/89/1079915089.db2.gz DOEFZJDLMGKACM-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001485018788 1079919908 /nfs/dbraw/zinc/91/99/08/1079919908.db2.gz VJEJFYVDTSFQDO-INIZCTEOSA-N 0 3 320.477 2.476 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn(C)c1 ZINC001485043681 1079926953 /nfs/dbraw/zinc/92/69/53/1079926953.db2.gz POAGDRRENCYZIZ-QZTJIDSGSA-N 0 3 307.397 2.034 20 30 DEEDHN CCCCOCCN(C)C[C@H]1CCCN1C(=O)C#CC(C)C ZINC001485057677 1079949651 /nfs/dbraw/zinc/94/96/51/1079949651.db2.gz ZCNGKGNQOYJWTB-QGZVFWFLSA-N 0 3 308.466 2.385 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)n1cnc(C)c1 ZINC001485062853 1079953009 /nfs/dbraw/zinc/95/30/09/1079953009.db2.gz 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C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C(F)F)n1 ZINC001481673162 1080284124 /nfs/dbraw/zinc/28/41/24/1080284124.db2.gz WKDMIBCAJCAERO-STQMWFEESA-N 0 3 324.375 2.072 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001485537894 1080285333 /nfs/dbraw/zinc/28/53/33/1080285333.db2.gz BCGRCLWMXNVIGM-FOIQADDNSA-N 0 3 310.441 2.350 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001485532525 1080288267 /nfs/dbraw/zinc/28/82/67/1080288267.db2.gz HCFLWEHTPRIQHN-ZBFHGGJFSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2cccnc2)C(C)(C)C1 ZINC001485581583 1080311342 /nfs/dbraw/zinc/31/13/42/1080311342.db2.gz GTNNONNSHSNYPH-INIZCTEOSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCC(=C)C ZINC001660440380 1080332987 /nfs/dbraw/zinc/33/29/87/1080332987.db2.gz OPNSYFAEYWBBFC-CVEARBPZSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@]3(C)CC=C(C)CC3)[C@@H]2C1 ZINC001485627612 1080339993 /nfs/dbraw/zinc/33/99/93/1080339993.db2.gz NXMNTQGBWVIVSS-VXIBKDFQSA-N 0 3 300.446 2.440 20 30 DEEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1cc(F)cc(F)c1 ZINC001660502531 1080345988 /nfs/dbraw/zinc/34/59/88/1080345988.db2.gz TZOHVFOILOFWPI-GFCCVEGCSA-N 0 3 309.360 2.453 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)C1CC=CC1 ZINC001268354603 1080362175 /nfs/dbraw/zinc/36/21/75/1080362175.db2.gz NKRSACLGRMKZLI-NSHDSACASA-N 0 3 301.228 2.346 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cncc(OC)c2C)C1 ZINC001485688630 1080369366 /nfs/dbraw/zinc/36/93/66/1080369366.db2.gz KXGPYTMRFSYGCQ-JOCQHMNTSA-N 0 3 323.824 2.249 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCCN(CCCCCF)C2)c[nH]1 ZINC001660814071 1080402016 /nfs/dbraw/zinc/40/20/16/1080402016.db2.gz DNHLNCQAEZFEOW-CQSZACIVSA-N 0 3 306.385 2.220 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C=C2CCCCC2)CC1 ZINC001660918175 1080415338 /nfs/dbraw/zinc/41/53/38/1080415338.db2.gz QTJNOJKNOQSPLY-UHFFFAOYSA-N 0 3 305.466 2.187 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc3[nH]ccc3c2)C1=O 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2.139 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2cccc(COC)c2)C1 ZINC001481778799 1080494354 /nfs/dbraw/zinc/49/43/54/1080494354.db2.gz PGOPGWGFPAWHNA-GOSISDBHSA-N 0 3 316.445 2.484 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(C)c(OC)c(C)c1 ZINC001268454539 1080495199 /nfs/dbraw/zinc/49/51/99/1080495199.db2.gz ZTPMIUBHRLKVKF-UHFFFAOYSA-N 0 3 302.418 2.387 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001661577923 1080496273 /nfs/dbraw/zinc/49/62/73/1080496273.db2.gz UOKYZZVMBHXYAV-WQVCFCJDSA-N 0 3 315.804 2.088 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001661636062 1080501591 /nfs/dbraw/zinc/50/15/91/1080501591.db2.gz AOXFLCDDARPSEY-VDNDLQMASA-N 0 3 300.377 2.070 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001661753039 1080518427 /nfs/dbraw/zinc/51/84/27/1080518427.db2.gz RUDOZLZTNIONRB-AEFFLSMTSA-N 0 3 314.429 2.226 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](CC)NCc1cc(C)ccc1F ZINC001481809492 1080518887 /nfs/dbraw/zinc/51/88/87/1080518887.db2.gz URAGLGZSHYNEKQ-YJBOKZPZSA-N 0 3 322.424 2.446 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2cccc(OC)c2)C1 ZINC001662012193 1080562346 /nfs/dbraw/zinc/56/23/46/1080562346.db2.gz RVLOKIMNASTXGX-DOTOQJQBSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NCc2nccn2C)CC1 ZINC001662121910 1080572005 /nfs/dbraw/zinc/57/20/05/1080572005.db2.gz ODIDJOBFVYYVJL-UHFFFAOYSA-N 0 3 304.438 2.149 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001662507919 1080613141 /nfs/dbraw/zinc/61/31/41/1080613141.db2.gz KKTQPFHXXZJJAV-BDUNBXCCSA-N 0 3 300.377 2.443 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001662558000 1080616028 /nfs/dbraw/zinc/61/60/28/1080616028.db2.gz ZRWJZZHRRDVWJB-INIZCTEOSA-N 0 3 311.360 2.201 20 30 DEEDHN COc1cccc([C@@H](C)N(C)CCNC(=O)CSCC#N)c1 ZINC001663146600 1080710340 /nfs/dbraw/zinc/71/03/40/1080710340.db2.gz ORWFRPFMDFQBFZ-CYBMUJFWSA-N 0 3 321.446 2.061 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C2(C(F)(F)F)CC2)cc1 ZINC001482034065 1080718712 /nfs/dbraw/zinc/71/87/12/1080718712.db2.gz FBGFHJGCGXKEGG-UHFFFAOYSA-N 0 3 310.319 2.368 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107329057 1080732834 /nfs/dbraw/zinc/73/28/34/1080732834.db2.gz GLRABAHNCYSYIT-YXJHDRRASA-N 0 3 312.417 2.102 20 30 DEEDHN C=CCOCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107329548 1080732875 /nfs/dbraw/zinc/73/28/75/1080732875.db2.gz ZBGSWAHLFMSFND-IIKMGHGCSA-N 0 3 312.841 2.302 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2 ZINC001107335887 1080733392 /nfs/dbraw/zinc/73/33/92/1080733392.db2.gz DRKZVMXNJSAUAP-XNRPHZJLSA-N 0 3 318.446 2.164 20 30 DEEDHN C=CC(C)(C)CC(=O)NC/C=C/CN[C@@H](C)C(=O)NC(C)(C)C ZINC001268543375 1080738542 /nfs/dbraw/zinc/73/85/42/1080738542.db2.gz GPIOWROZUZQZDS-HBWSCVEGSA-N 0 3 323.481 2.154 20 30 DEEDHN Cn1cccc1C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001482053254 1080754470 /nfs/dbraw/zinc/75/44/70/1080754470.db2.gz RHUJKQPSZCDPBK-GOSISDBHSA-N 0 3 321.424 2.271 20 30 DEEDHN COc1cccc(CN2CC[C@@H](CNC(=O)C#CC3CC3)C2)c1 ZINC001663587653 1080783465 /nfs/dbraw/zinc/78/34/65/1080783465.db2.gz OZHOVZXNXQSLTI-KRWDZBQOSA-N 0 3 312.413 2.047 20 30 DEEDHN CCCc1nc(CNC[C@H](C)CNC(=O)[C@@H](C)C#N)cs1 ZINC001482089201 1080792644 /nfs/dbraw/zinc/79/26/44/1080792644.db2.gz MDVDITCUPXXTIH-RYUDHWBXSA-N 0 3 308.451 2.097 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001663684202 1080802659 /nfs/dbraw/zinc/80/26/59/1080802659.db2.gz RWRHMXBCMGFOAG-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN C=C(C)CN(CCNC(=O)Cn1ncc2ccccc21)C1CC1 ZINC001663762918 1080813109 /nfs/dbraw/zinc/81/31/09/1080813109.db2.gz GEMKTOJSNCRJGM-UHFFFAOYSA-N 0 3 312.417 2.193 20 30 DEEDHN Cc1nsc(C)c1CNCCN(C)C(=O)C#CC(C)(C)C ZINC001663924074 1080838275 /nfs/dbraw/zinc/83/82/75/1080838275.db2.gz NOMJHRJATAXXTQ-UHFFFAOYSA-N 0 3 307.463 2.357 20 30 DEEDHN CC[C@@H]1CC[C@H](C(=O)N(C)CCNCc2cccc(C#N)c2)O1 ZINC001663964737 1080843296 /nfs/dbraw/zinc/84/32/96/1080843296.db2.gz LGDQEMQEJJUDGJ-IAGOWNOFSA-N 0 3 315.417 2.064 20 30 DEEDHN CC[C@@H](F)CNC/C=C\CNC(=O)CC#Cc1ccccc1 ZINC001268627136 1080902599 /nfs/dbraw/zinc/90/25/99/1080902599.db2.gz GEFXAWIKYHRMSQ-JTGQJZMRSA-N 0 3 302.393 2.438 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CC1(C)C ZINC001268681433 1080931307 /nfs/dbraw/zinc/93/13/07/1080931307.db2.gz IEYWFRXUURRDES-XJKSGUPXSA-N 0 3 302.393 2.318 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)Nc1ccccc1 ZINC001268683319 1080933655 /nfs/dbraw/zinc/93/36/55/1080933655.db2.gz VFBMBMPTULIOSH-UONOGXRCSA-N 0 3 303.406 2.074 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CNCc2ncccc2C)cc1 ZINC001268697595 1080938648 /nfs/dbraw/zinc/93/86/48/1080938648.db2.gz DQXHBAUQNFQQFN-HNNXBMFYSA-N 0 3 307.397 2.279 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001664700104 1080944467 /nfs/dbraw/zinc/94/44/67/1080944467.db2.gz FTAJCRRGQZCKBS-JCVNQNCUSA-N 0 3 306.450 2.067 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)OCCO2 ZINC001268725588 1080953813 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C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCOC1 ZINC001268947612 1081060282 /nfs/dbraw/zinc/06/02/82/1081060282.db2.gz WBAYLZKPPQTDQF-JYJNAYRXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](OC)C1CCC1 ZINC001268964453 1081061971 /nfs/dbraw/zinc/06/19/71/1081061971.db2.gz ASULATCEMFHIHL-ULQDDVLXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001665686428 1081063098 /nfs/dbraw/zinc/06/30/98/1081063098.db2.gz JRJTVQYQCRHIPA-MRXNPFEDSA-N 0 3 315.417 2.042 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CCc2cccs2)C1 ZINC001665681393 1081063231 /nfs/dbraw/zinc/06/32/31/1081063231.db2.gz DQRVWMATHZXQMU-OAHLLOKOSA-N 0 3 322.474 2.416 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC001665725991 1081071338 /nfs/dbraw/zinc/07/13/38/1081071338.db2.gz MGDSNBYEFORMDK-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2coc(OC)n2)C1 ZINC001269046545 1081096723 /nfs/dbraw/zinc/09/67/23/1081096723.db2.gz 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C=C1CCC(C(=O)N[C@@H](CN[C@@H](CC)C(N)=O)CC(C)C)CC1 ZINC001667108034 1081212363 /nfs/dbraw/zinc/21/23/63/1081212363.db2.gz KSEBYPCHSFNMGE-CVEARBPZSA-N 0 3 323.481 2.117 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CCOc1ccccc1F ZINC001269338896 1081219782 /nfs/dbraw/zinc/21/97/82/1081219782.db2.gz VXUSXRNSBNGTTE-CQSZACIVSA-N 0 3 306.381 2.361 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)C(C)=C1CCCC1 ZINC001269389930 1081235077 /nfs/dbraw/zinc/23/50/77/1081235077.db2.gz CWZINUDCBILFME-HOCLYGCPSA-N 0 3 321.465 2.052 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)N(CC)CC ZINC001667368135 1081243695 /nfs/dbraw/zinc/24/36/95/1081243695.db2.gz KTJIBMVULVDRKY-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCC(=O)NC1CCCCC1 ZINC001269448892 1081250616 /nfs/dbraw/zinc/25/06/16/1081250616.db2.gz PVPRUSYFSMCJTD-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)N[C@H](C)c1n[nH]c(CC)n1 ZINC001269448844 1081250823 /nfs/dbraw/zinc/25/08/23/1081250823.db2.gz 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/nfs/dbraw/zinc/33/31/89/1081333189.db2.gz NDKBHMPTFOGASX-LBPRGKRZSA-N 0 3 312.845 2.452 20 30 DEEDHN C=C(C)CN1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000950644620 1081383763 /nfs/dbraw/zinc/38/37/63/1081383763.db2.gz KKBSIBYRQMPBIW-UHFFFAOYSA-N 0 3 316.430 2.472 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C/CNCc1ccc(Cl)c(F)c1 ZINC001668751157 1081391215 /nfs/dbraw/zinc/39/12/15/1081391215.db2.gz DHMOQCQAOLUASB-KXMPLOMGSA-N 0 3 309.772 2.401 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001669057829 1081423846 /nfs/dbraw/zinc/42/38/46/1081423846.db2.gz OWNWXNKDULVSKR-PLNGDYQASA-N 0 3 308.784 2.307 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1ccccc1OC(C)C ZINC001669092052 1081427427 /nfs/dbraw/zinc/42/74/27/1081427427.db2.gz TWZNUUUARRWEPF-CMDGGOBGSA-N 0 3 314.429 2.302 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C#CC(C)(C)C ZINC001669288456 1081443760 /nfs/dbraw/zinc/44/37/60/1081443760.db2.gz DGVYGAMLBLPFJT-GFCCVEGCSA-N 0 3 303.431 2.264 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cncnc2C(C)C)cc1 ZINC001270087884 1081447087 /nfs/dbraw/zinc/44/70/87/1081447087.db2.gz FLIXOICIOBHZTL-UHFFFAOYSA-N 0 3 322.412 2.253 20 30 DEEDHN CC#CCCCC(=O)NCCC1CCN(CC#CCOC)CC1 ZINC001270131912 1081457754 /nfs/dbraw/zinc/45/77/54/1081457754.db2.gz ZVWAEOCWJKPHLY-UHFFFAOYSA-N 0 3 318.461 2.048 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc2c(c1)OCCCO2 ZINC001669822199 1081472673 /nfs/dbraw/zinc/47/26/73/1081472673.db2.gz UHRWWWSXTJCTEA-CYBMUJFWSA-N 0 3 304.390 2.084 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001669857196 1081475155 /nfs/dbraw/zinc/47/51/55/1081475155.db2.gz SCYSHMXKKYFXGA-GOEBONIOSA-N 0 3 302.418 2.402 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001270232334 1081480213 /nfs/dbraw/zinc/48/02/13/1081480213.db2.gz XOFLQLSSPMZPHE-INIZCTEOSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccc3ncn(C)c32)CC1 ZINC001671842426 1081542588 /nfs/dbraw/zinc/54/25/88/1081542588.db2.gz HIZWDRGYINFKMT-UHFFFAOYSA-N 0 3 324.428 2.038 20 30 DEEDHN C#CCN1CCC[C@@](C)(CNC(=O)c2c(C)cc(C)nc2C)C1 ZINC001671896787 1081547323 /nfs/dbraw/zinc/54/73/23/1081547323.db2.gz COQORXXHLCUHAI-IBGZPJMESA-N 0 3 313.445 2.472 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)COCc2ccc(C)cc2)C1 ZINC001270589977 1081558663 /nfs/dbraw/zinc/55/86/63/1081558663.db2.gz MDYHCQRFYFASKU-IBGZPJMESA-N 0 3 314.429 2.116 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)Cc2sc(C)cc2C)C1 ZINC001672039898 1081559316 /nfs/dbraw/zinc/55/93/16/1081559316.db2.gz LOLTVSRMMZBUOR-QGZVFWFLSA-N 0 3 322.474 2.037 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnns1)c1ccccc1CC ZINC001672175991 1081563649 /nfs/dbraw/zinc/56/36/49/1081563649.db2.gz CMJYXCXYHHIDRA-AWEZNQCLSA-N 0 3 316.430 2.347 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001270649774 1081581822 /nfs/dbraw/zinc/58/18/22/1081581822.db2.gz PSNKRTLDHCYRMQ-SJLPKXTDSA-N 0 3 300.402 2.415 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3ocnc3C)C[C@H]2C1 ZINC001672419295 1081594636 /nfs/dbraw/zinc/59/46/36/1081594636.db2.gz 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C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H](C)COC ZINC001482445129 1081845822 /nfs/dbraw/zinc/84/58/22/1081845822.db2.gz WTPWXKOGZOTCDN-OCCSQVGLSA-N 0 3 302.846 2.382 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001270968142 1081858880 /nfs/dbraw/zinc/85/88/80/1081858880.db2.gz PBDWGJCGVQLEKD-OWCLPIDISA-N 0 3 308.466 2.145 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccccn2)C1 ZINC001270982655 1081863653 /nfs/dbraw/zinc/86/36/53/1081863653.db2.gz JVUZOMMFHGSSND-SFHVURJKSA-N 0 3 301.434 2.419 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCc1ccc([C@@H](C)NCC#CC)cc1 ZINC001280350743 1081868282 /nfs/dbraw/zinc/86/82/82/1081868282.db2.gz NLHICWLARZAMQO-DNVCBOLYSA-N 0 3 314.429 2.304 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nc(C)n2ccccc12 ZINC001674469491 1081877037 /nfs/dbraw/zinc/87/70/37/1081877037.db2.gz KZQKILLYDWOKMX-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H](C)CNCC(=O)N1CCC[C@@H](C)C1 ZINC001271081284 1081899820 /nfs/dbraw/zinc/89/98/20/1081899820.db2.gz 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/nfs/dbraw/zinc/96/97/15/1081969715.db2.gz CQFQGUMFYJSVOD-UHFFFAOYSA-N 0 3 316.445 2.473 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC001266321399 1081970998 /nfs/dbraw/zinc/97/09/98/1081970998.db2.gz PZBGXGLAADBVLR-CQSZACIVSA-N 0 3 306.381 2.280 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001266336687 1081980595 /nfs/dbraw/zinc/98/05/95/1081980595.db2.gz UKFWLRVPMNAXOK-ZBFHGGJFSA-N 0 3 300.418 2.276 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001266346469 1081987929 /nfs/dbraw/zinc/98/79/29/1081987929.db2.gz BJIVOCIMBVSJQX-KRWDZBQOSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NCc2cnns2)C1 ZINC001271520590 1082070534 /nfs/dbraw/zinc/07/05/34/1082070534.db2.gz NJKIRQJVLMUIQZ-CHWSQXEVSA-N 0 3 308.451 2.221 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001266513878 1082095538 /nfs/dbraw/zinc/09/55/38/1082095538.db2.gz IEUZSEBKRSJVLD-IAGOWNOFSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001266518221 1082099505 /nfs/dbraw/zinc/09/95/05/1082099505.db2.gz WOZHHUZAFIJPPG-HNNXBMFYSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001271688118 1082109517 /nfs/dbraw/zinc/10/95/17/1082109517.db2.gz NWWBDGHEMONEOB-HOCLYGCPSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1nsc2ccccc21 ZINC001266562610 1082160907 /nfs/dbraw/zinc/16/09/07/1082160907.db2.gz HYGIARHELXIKFJ-UHFFFAOYSA-N 0 3 301.415 2.371 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001266562699 1082161313 /nfs/dbraw/zinc/16/13/13/1082161313.db2.gz LFKINGRXQALMRS-KRWDZBQOSA-N 0 3 314.429 2.186 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnn(-c2ccccc2)c1 ZINC001266564836 1082161946 /nfs/dbraw/zinc/16/19/46/1082161946.db2.gz CNWHZSWSNSNRLC-UHFFFAOYSA-N 0 3 324.428 2.337 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3oc(CC)nc3C)C[C@H]2C1 ZINC001271839010 1082169594 /nfs/dbraw/zinc/16/95/94/1082169594.db2.gz IVFCMBJRGGGYHF-GASCZTMLSA-N 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C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCCOCC ZINC001272054122 1082341815 /nfs/dbraw/zinc/34/18/15/1082341815.db2.gz RZJLSSUGJJMODB-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CC)CCOCC2)C1 ZINC001266897070 1082437724 /nfs/dbraw/zinc/43/77/24/1082437724.db2.gz KYQDITJVSWCUOW-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCc2ccccn2)C1 ZINC001266898670 1082439018 /nfs/dbraw/zinc/43/90/18/1082439018.db2.gz XQAUNXXDYLOINS-SJORKVTESA-N 0 3 313.445 2.254 20 30 DEEDHN C[C@@H](CNC(=O)C=C1CCC1)NCc1ccc(C#N)c(F)c1 ZINC001266931449 1082461174 /nfs/dbraw/zinc/46/11/74/1082461174.db2.gz OAOMTTSXPOJNDG-LBPRGKRZSA-N 0 3 301.365 2.402 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCC(=O)N1CCCC[C@H]1C ZINC001266942775 1082466461 /nfs/dbraw/zinc/46/64/61/1082466461.db2.gz LLSRZYJERVNROW-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NCC(=O)N1CCCC[C@@H]1C ZINC001266942774 1082466647 /nfs/dbraw/zinc/46/66/47/1082466647.db2.gz LLSRZYJERVNROW-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001266956096 1082473686 /nfs/dbraw/zinc/47/36/86/1082473686.db2.gz LBSAGJLLFMYUIL-ZDUSSCGKSA-N 0 3 300.402 2.088 20 30 DEEDHN C=C(C)CCC(=O)N(CC)CCN[C@H](C)C(=O)NC(C)(C)C ZINC001482925912 1082564259 /nfs/dbraw/zinc/56/42/59/1082564259.db2.gz DLBKJODRUGFVDH-CQSZACIVSA-N 0 3 311.470 2.084 20 30 DEEDHN C#CCNCCN(CC)C(=O)[C@@H](CC)Oc1ccccc1F ZINC001482963691 1082582556 /nfs/dbraw/zinc/58/25/56/1082582556.db2.gz WHXYSTAKPSLFJP-OAHLLOKOSA-N 0 3 306.381 2.054 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)CN1CCc2ccccc21 ZINC001272171832 1082612546 /nfs/dbraw/zinc/61/25/46/1082612546.db2.gz GMKKUAXTJCLNOB-UHFFFAOYSA-N 0 3 301.434 2.015 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001483027661 1082631981 /nfs/dbraw/zinc/63/19/81/1082631981.db2.gz HIERGDBYDKNZQD-IDTUSYRASA-N 0 3 314.433 2.061 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2cc(C)no2)C1 ZINC001272199114 1082657849 /nfs/dbraw/zinc/65/78/49/1082657849.db2.gz ZCTWCXREJACEIP-GOEBONIOSA-N 0 3 303.406 2.372 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2cc(C)no2)C1 ZINC001272199118 1082657973 /nfs/dbraw/zinc/65/79/73/1082657973.db2.gz ZCTWCXREJACEIP-ZBFHGGJFSA-N 0 3 303.406 2.372 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccccn2)C1 ZINC001272208156 1082666529 /nfs/dbraw/zinc/66/65/29/1082666529.db2.gz UQFMUMRLKXLVCS-SJLPKXTDSA-N 0 3 311.429 2.164 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)C1(c3ccccc3C#N)CC1)CC2 ZINC001272211725 1082667474 /nfs/dbraw/zinc/66/74/74/1082667474.db2.gz WXMVEZQGOZBMAX-UHFFFAOYSA-N 0 3 309.413 2.144 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)c1cccc(OC)c1 ZINC001483097148 1082705760 /nfs/dbraw/zinc/70/57/60/1082705760.db2.gz IIXRCZSHKPZPCE-IDTUSYRASA-N 0 3 300.402 2.084 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001483127945 1082744986 /nfs/dbraw/zinc/74/49/86/1082744986.db2.gz MRKGEMBEOITZFD-KGLIPLIRSA-N 0 3 322.836 2.281 20 30 DEEDHN Cc1ocnc1C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001409304306 1082755272 /nfs/dbraw/zinc/75/52/72/1082755272.db2.gz MEHVGQVFQFNDPV-NXEZZACHSA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@H](CNC(=O)C[C@@H]1CCCO1)N(C)Cc1ccc(C#N)cc1 ZINC001409504747 1082926206 /nfs/dbraw/zinc/92/62/06/1082926206.db2.gz ABEZWQPMMLKAFE-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409546328 1082947340 /nfs/dbraw/zinc/94/73/40/1082947340.db2.gz KXDVNKLCNLHFLJ-GJZGRUSLSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1cocc1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001483257106 1083059654 /nfs/dbraw/zinc/05/96/54/1083059654.db2.gz PFWLZBSEAFPFGA-AWEZNQCLSA-N 0 3 314.360 2.487 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccnc(OC)c2)C1 ZINC001483263819 1083063731 /nfs/dbraw/zinc/06/37/31/1083063731.db2.gz KITUAGJOVFTNCU-ZDUSSCGKSA-N 0 3 303.406 2.041 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cc(C(C)C)oc1C ZINC001483279485 1083070058 /nfs/dbraw/zinc/07/00/58/1083070058.db2.gz PRAGTKJGTKLLMC-ZDUSSCGKSA-N 0 3 306.406 2.069 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001483337179 1083113660 /nfs/dbraw/zinc/11/36/60/1083113660.db2.gz DRHJDQFRTSGDKY-MIJBNRBISA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1nccc2ccsc21 ZINC001280824162 1083423350 /nfs/dbraw/zinc/42/33/50/1083423350.db2.gz YIEHTVDYKTZGCY-UHFFFAOYSA-N 0 3 301.415 2.323 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001276462207 1083451681 /nfs/dbraw/zinc/45/16/81/1083451681.db2.gz YOOJKOLZDJEWAT-QAPCUYQASA-N 0 3 316.445 2.257 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)COc2cc(F)cc(F)c2)C1 ZINC001276468827 1083455959 /nfs/dbraw/zinc/45/59/59/1083455959.db2.gz NHAPANCVWHXGHL-LBPRGKRZSA-N 0 3 324.371 2.356 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001060769676 1083483902 /nfs/dbraw/zinc/48/39/02/1083483902.db2.gz VKVPPFFYZWHBOJ-WKILWMFISA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC001276853532 1083648032 /nfs/dbraw/zinc/64/80/32/1083648032.db2.gz NRZKMVGANRDWQB-VXGBXAGGSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCCCCN1CC[C@H]2C[C@]21C(=O)N(C)Cc1ncccn1 ZINC001276885143 1083664055 /nfs/dbraw/zinc/66/40/55/1083664055.db2.gz FTAWIZPCUZITTK-MAUKXSAKSA-N 0 3 314.433 2.256 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)cc1 ZINC001276931963 1083687517 /nfs/dbraw/zinc/68/75/17/1083687517.db2.gz NBTFWWMWOXZZHI-REPLKXPHSA-N 0 3 321.424 2.415 20 30 DEEDHN N#Cc1cccc(N2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001276953641 1083699239 /nfs/dbraw/zinc/69/92/39/1083699239.db2.gz NCWVVPFNADJLGB-UHFFFAOYSA-N 0 3 321.428 2.357 20 30 DEEDHN N#Cc1ccccc1N1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276953959 1083700339 /nfs/dbraw/zinc/70/03/39/1083700339.db2.gz UMYTVDZDUPZOMT-UHFFFAOYSA-N 0 3 321.428 2.357 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2(NCc3cccc(C)c3)CC2)cn1 ZINC001277224304 1083853924 /nfs/dbraw/zinc/85/39/24/1083853924.db2.gz GNORCKBWYBVNAA-UHFFFAOYSA-N 0 3 319.408 2.424 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@]1(C)CN(CC2CCCCC2)CCO1 ZINC001107930061 1083903988 /nfs/dbraw/zinc/90/39/88/1083903988.db2.gz DHOJDKSHJRHUKN-IBGZPJMESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001277351483 1083921770 /nfs/dbraw/zinc/92/17/70/1083921770.db2.gz HMOWMFRHHUCTQE-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C(N)=O)cc1 ZINC001277356095 1083923761 /nfs/dbraw/zinc/92/37/61/1083923761.db2.gz QCTJWVGMFZFSKP-LBPRGKRZSA-N 0 3 323.824 2.026 20 30 DEEDHN C/C=C(/C)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001491009344 1084005089 /nfs/dbraw/zinc/00/50/89/1084005089.db2.gz DRXMNZCVYCQPHF-GVYJXWINSA-N 0 3 301.365 2.400 20 30 DEEDHN CCCc1nc(C)c(CNCC[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001272774431 1084019709 /nfs/dbraw/zinc/01/97/09/1084019709.db2.gz VGVDHUNCEZTNIW-ZDUSSCGKSA-N 0 3 317.433 2.333 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)nc2ccccn21 ZINC001272787650 1084057112 /nfs/dbraw/zinc/05/71/12/1084057112.db2.gz JRNAWQVUYWSOQF-HZPDHXFCSA-N 0 3 324.428 2.394 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1cc2n(n1)CCC2 ZINC001272802877 1084082452 /nfs/dbraw/zinc/08/24/52/1084082452.db2.gz PEQIFIWWDHRORZ-AWEZNQCLSA-N 0 3 318.465 2.416 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001491119505 1084092400 /nfs/dbraw/zinc/09/24/00/1084092400.db2.gz FWDVPLORTSUTGU-MRXNPFEDSA-N 0 3 323.440 2.182 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CNCc2cnc(C)cn2)C1 ZINC001491141146 1084110349 /nfs/dbraw/zinc/11/03/49/1084110349.db2.gz DQTJSUWPNJGYLL-OAHLLOKOSA-N 0 3 302.422 2.079 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]1CNCc1ccc(F)c(F)c1 ZINC001277821801 1084162975 /nfs/dbraw/zinc/16/29/75/1084162975.db2.gz BLJJNKMBCHUAGC-AWEZNQCLSA-N 0 3 324.371 2.248 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001277844962 1084171889 /nfs/dbraw/zinc/17/18/89/1084171889.db2.gz IJAMICRVPNZNCG-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC[C@H]1CCCO1 ZINC001671010865 1084202151 /nfs/dbraw/zinc/20/21/51/1084202151.db2.gz CADHKWRZJLIZII-FGTMMUONSA-N 0 3 318.461 2.424 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCC2CCOCC2)C1 ZINC001491297341 1084216672 /nfs/dbraw/zinc/21/66/72/1084216672.db2.gz QRHCQEJPQIEBKC-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](OCC)C(C)C)C2)C1 ZINC001671038695 1084224246 /nfs/dbraw/zinc/22/42/46/1084224246.db2.gz GLYAKZOYSSEFKL-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CCC)OCC)C2)C1 ZINC001671038510 1084224585 /nfs/dbraw/zinc/22/45/85/1084224585.db2.gz DCXDFIOAXKFDMC-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccn2ccnc2c1 ZINC001272819051 1084254585 /nfs/dbraw/zinc/25/45/85/1084254585.db2.gz QPVQDFKBQRVEAF-HZPDHXFCSA-N 0 3 310.401 2.086 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3c[nH]c(CCCC)n3)C2)C1=O ZINC001272833769 1084348504 /nfs/dbraw/zinc/34/85/04/1084348504.db2.gz PTAGSVXQYURCQI-SFHVURJKSA-N 0 3 316.449 2.363 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)/C(C)=C\C)C2)n1 ZINC001128102809 1084351249 /nfs/dbraw/zinc/35/12/49/1084351249.db2.gz VLLLUHKANRQRQQ-ZVRDQUNJSA-N 0 3 314.433 2.018 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001235304967 1084381123 /nfs/dbraw/zinc/38/11/23/1084381123.db2.gz VJUGFGHEVLSZQU-JKSUJKDBSA-N 0 3 323.481 2.016 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(Cc3cc(C)cs3)C2)OCC1=O ZINC001272872387 1084402536 /nfs/dbraw/zinc/40/25/36/1084402536.db2.gz NMVGDGJZJRAZNU-QGZVFWFLSA-N 0 3 320.458 2.436 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2CCc2cccc(OC)c2)C1=O ZINC001272892079 1084436794 /nfs/dbraw/zinc/43/67/94/1084436794.db2.gz BPCWYQBFSCEVHT-LJQANCHMSA-N 0 3 314.429 2.491 20 30 DEEDHN CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2CCCCC#N ZINC001277948657 1084445611 /nfs/dbraw/zinc/44/56/11/1084445611.db2.gz MBBOLQFQZVQRNE-IYBDPMFKSA-N 0 3 301.438 2.245 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)COCCN(Cc1cccc(C)c1)C2 ZINC001272907556 1084458150 /nfs/dbraw/zinc/45/81/50/1084458150.db2.gz RKQIMZGCRFRTMY-LJQANCHMSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)COCCN(Cc1cccc(C)c1)C2 ZINC001272907554 1084458491 /nfs/dbraw/zinc/45/84/91/1084458491.db2.gz RKQIMZGCRFRTMY-IBGZPJMESA-N 0 3 314.429 2.232 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001235569104 1084468279 /nfs/dbraw/zinc/46/82/79/1084468279.db2.gz MBRKYOUBTMUHGP-JKSUJKDBSA-N 0 3 323.481 2.016 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)cc1 ZINC001272918148 1084474154 /nfs/dbraw/zinc/47/41/54/1084474154.db2.gz FAKXNBRGIOLPCB-LJQANCHMSA-N 0 3 312.413 2.285 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001078004030 1084483829 /nfs/dbraw/zinc/48/38/29/1084483829.db2.gz GAYVHYVJVFDRIP-BZUAXINKSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001078057721 1084514435 /nfs/dbraw/zinc/51/44/35/1084514435.db2.gz JJUSJUCZJZTNPE-HUUCEWRRSA-N 0 3 308.809 2.081 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@H](C)c1ccccc1F ZINC001277968114 1084529766 /nfs/dbraw/zinc/52/97/66/1084529766.db2.gz BOTWJXMMTQGXIN-HUUCEWRRSA-N 0 3 320.408 2.016 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@@H](CNCc2cncs2)C1 ZINC001078441393 1084696178 /nfs/dbraw/zinc/69/61/78/1084696178.db2.gz UVKJAHBTYDBCAU-ZDUSSCGKSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@@H]1C ZINC001078465680 1084703463 /nfs/dbraw/zinc/70/34/63/1084703463.db2.gz GRPNJQUPRVKBFQ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccncc2)C12CCC2 ZINC001078534832 1084727920 /nfs/dbraw/zinc/72/79/20/1084727920.db2.gz VTTHETJKPLBTHJ-ZIAGYGMSSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2oncc2C)C12CCC2 ZINC001078764409 1084877812 /nfs/dbraw/zinc/87/78/12/1084877812.db2.gz SFMJIUJDWFZJQF-NEPJUHHUSA-N 0 3 309.797 2.366 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)N(C)C)CCCC1 ZINC001485965585 1085013995 /nfs/dbraw/zinc/01/39/95/1085013995.db2.gz QGKCJZIXRPEFDU-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2oc(CCC)nc2C)C1 ZINC001486125853 1085075002 /nfs/dbraw/zinc/07/50/02/1085075002.db2.gz BBVISXYBOSDYTA-JSGCOSHPSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001486172441 1085104354 /nfs/dbraw/zinc/10/43/54/1085104354.db2.gz ZXJJOABTCDVVHO-SJORKVTESA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccc(C)cc2)[C@@H]1C ZINC001486185397 1085112853 /nfs/dbraw/zinc/11/28/53/1085112853.db2.gz HYCBNZUKABUWTB-FUHWJXTLSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2ccccc2nc1C ZINC000960154821 1085130967 /nfs/dbraw/zinc/13/09/67/1085130967.db2.gz DMIDFSWKKVQDAA-VQFNDLOPSA-N 0 3 307.397 2.389 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnnc1C ZINC000960282129 1085179849 /nfs/dbraw/zinc/17/98/49/1085179849.db2.gz VMYJUKSVKBEXCL-QZTJIDSGSA-N 0 3 322.412 2.347 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1=CCOCC1 ZINC000960302004 1085188970 /nfs/dbraw/zinc/18/89/70/1085188970.db2.gz FWBZKDAKWQMCIA-IEBWSBKVSA-N 0 3 312.413 2.281 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001486359234 1085217850 /nfs/dbraw/zinc/21/78/50/1085217850.db2.gz SFIDZISFNKOGCP-PBHICJAKSA-N 0 3 322.424 2.256 20 30 DEEDHN C#CCCCCC(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001272944433 1085278004 /nfs/dbraw/zinc/27/80/04/1085278004.db2.gz GWHKMVNAJUBXAY-MRXNPFEDSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCCC(=O)NCC1=CCN(Cc2ccc(CO)cc2)CC1 ZINC001486503672 1085379046 /nfs/dbraw/zinc/37/90/46/1085379046.db2.gz BDFIFRBYSQUUAS-UHFFFAOYSA-N 0 3 314.429 2.393 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccc2)no1 ZINC000960721270 1085427105 /nfs/dbraw/zinc/42/71/05/1085427105.db2.gz CZBITGVRYNXJEA-HALDLXJZSA-N 0 3 309.369 2.188 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)c2ccoc2)C1 ZINC000961552144 1085784270 /nfs/dbraw/zinc/78/42/70/1085784270.db2.gz RNUUXTLFJZUSFG-UHFFFAOYSA-N 0 3 309.369 2.449 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)CC(C)(F)F ZINC001273001203 1085872624 /nfs/dbraw/zinc/87/26/24/1085872624.db2.gz BXTUNKMBCMCNHS-SECBINFHSA-N 0 3 313.186 2.425 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(c2cccc(F)c2)CC1 ZINC000961939915 1085915266 /nfs/dbraw/zinc/91/52/66/1085915266.db2.gz QIDJJFJXMPJCMY-ZSHCYNCHSA-N 0 3 300.377 2.090 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(F)c1OCC ZINC000962150752 1085984664 /nfs/dbraw/zinc/98/46/64/1085984664.db2.gz CYDIFXILZINGGI-NHAGDIPZSA-N 0 3 304.365 2.070 20 30 DEEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cn(C)nc1C)CC2 ZINC001273024445 1086004712 /nfs/dbraw/zinc/00/47/12/1086004712.db2.gz TXLLNCZKKLXZEJ-INIZCTEOSA-N 0 3 316.449 2.023 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000962396321 1086098696 /nfs/dbraw/zinc/09/86/96/1086098696.db2.gz XVTGUYDZZBBOBA-QKUWSGOFSA-N 0 3 310.441 2.414 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001273123804 1086278681 /nfs/dbraw/zinc/27/86/81/1086278681.db2.gz ZSNOEJFHPQDVTG-ZDUSSCGKSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(C)CN1C(=O)COCC12CN(C[C@@H]1CCC(C)=C[C@H]1C)C2 ZINC001273123661 1086279075 /nfs/dbraw/zinc/27/90/75/1086279075.db2.gz AKPYJKKNXFSLAO-SJORKVTESA-N 0 3 318.461 2.468 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2n[nH]cc2c1 ZINC001273133320 1086320835 /nfs/dbraw/zinc/32/08/35/1086320835.db2.gz AZMBSSCZPAIZTI-LJQANCHMSA-N 0 3 322.412 2.153 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cnc(C)[nH]1)C2 ZINC000963636212 1086521940 /nfs/dbraw/zinc/52/19/40/1086521940.db2.gz FOOZRZCSWVNQDR-UHFFFAOYSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1nccc(C)n1)C2 ZINC000963723802 1086547276 /nfs/dbraw/zinc/54/72/76/1086547276.db2.gz JLWDQBJMMBSWDJ-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN CC(C)c1nocc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001129279035 1087085894 /nfs/dbraw/zinc/08/58/94/1087085894.db2.gz MFBBHIHDGKXVAK-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC2)C1 ZINC001079122745 1087722758 /nfs/dbraw/zinc/72/27/58/1087722758.db2.gz QQUVUXZISOPVSW-QZTJIDSGSA-N 0 3 314.429 2.046 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1c1ccc(F)cc1 ZINC001079152436 1087727970 /nfs/dbraw/zinc/72/79/70/1087727970.db2.gz MESLLYBPWSHPKJ-RBUKOAKNSA-N 0 3 324.399 2.146 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079168661 1087731013 /nfs/dbraw/zinc/73/10/13/1087731013.db2.gz HBYVTPXJMFKOHG-DLBZAZTESA-N 0 3 300.377 2.309 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1c1cccc(F)c1 ZINC001079178942 1087737985 /nfs/dbraw/zinc/73/79/85/1087737985.db2.gz BXLYDZUFINPTQS-ZWKOTPCHSA-N 0 3 312.388 2.453 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001079179106 1087738061 /nfs/dbraw/zinc/73/80/61/1087738061.db2.gz KRYQPFOVFONGDL-ZWKOTPCHSA-N 0 3 312.388 2.453 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1c1cccc(F)c1 ZINC001079178226 1087738663 /nfs/dbraw/zinc/73/86/63/1087738663.db2.gz ZMQHEGNIUUEJJC-LKXLZVPJSA-N 0 3 300.377 2.309 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000957390694 1088252621 /nfs/dbraw/zinc/25/26/21/1088252621.db2.gz PXHCVFVPGDHGGA-UHFFFAOYSA-N 0 3 314.389 2.392 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)/C=C(/C)CC)CCOCC1 ZINC001327636142 1088400049 /nfs/dbraw/zinc/40/00/49/1088400049.db2.gz ZQXJROHDWAJVAA-XFXZXTDPSA-N 0 3 300.830 2.350 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC001079804737 1088428256 /nfs/dbraw/zinc/42/82/56/1088428256.db2.gz COTQYNFUNSDNDY-UKRRQHHQSA-N 0 3 316.401 2.084 20 30 DEEDHN CCN(Cc1cnoc1C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000957691887 1088548673 /nfs/dbraw/zinc/54/86/73/1088548673.db2.gz HGAYBIOQRFTNML-CYBMUJFWSA-N 0 3 318.421 2.203 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001080225794 1088715309 /nfs/dbraw/zinc/71/53/09/1088715309.db2.gz NMEOWRMRGMEQEI-TZMCWYRMSA-N 0 3 313.357 2.008 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000958152338 1088818717 /nfs/dbraw/zinc/81/87/17/1088818717.db2.gz OMZCDMBWOUBBAQ-TVFCKZIOSA-N 0 3 320.477 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncccc2OCCC)C1 ZINC001080378445 1088853097 /nfs/dbraw/zinc/85/30/97/1088853097.db2.gz ILQHVAKBYCVWLB-HUUCEWRRSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc3sccc3c2)[C@H](O)C1 ZINC000958557023 1089057668 /nfs/dbraw/zinc/05/76/68/1089057668.db2.gz XAIMWQJLMXNATC-HUUCEWRRSA-N 0 3 316.426 2.110 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001080585939 1089080376 /nfs/dbraw/zinc/08/03/76/1089080376.db2.gz SJDUODFXZUFLJQ-XLNGHYISSA-N 0 3 314.429 2.421 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3cccnc31)C2 ZINC001095902648 1089093578 /nfs/dbraw/zinc/09/35/78/1089093578.db2.gz KJBXCZNDVPTYRQ-BDXSIMOUSA-N 0 3 323.440 2.246 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@H](O)C1 ZINC000958699783 1089142548 /nfs/dbraw/zinc/14/25/48/1089142548.db2.gz ZSZZJERJCDHSMW-CHWSQXEVSA-N 0 3 322.474 2.254 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001080699115 1089144419 /nfs/dbraw/zinc/14/44/19/1089144419.db2.gz WQPJJFJFIVTORL-XJKCOSOUSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001080801823 1089185712 /nfs/dbraw/zinc/18/57/12/1089185712.db2.gz LBHRRGOINILNIE-RHSMWYFYSA-N 0 3 312.417 2.049 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001080827230 1089201403 /nfs/dbraw/zinc/20/14/03/1089201403.db2.gz CQEWMJZMUCLTJX-OWCLPIDISA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001080970383 1089259529 /nfs/dbraw/zinc/25/95/29/1089259529.db2.gz KMHYOLPLYHAQCY-JKIFEVAISA-N 0 3 302.393 2.389 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1c1ccccc1 ZINC001081188860 1089369015 /nfs/dbraw/zinc/36/90/15/1089369015.db2.gz IPNJEVWTHZSRSJ-RCCFBDPRSA-N 0 3 308.425 2.394 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001081504635 1089419173 /nfs/dbraw/zinc/41/91/73/1089419173.db2.gz KPPKBRQMQOFESA-HUUCEWRRSA-N 0 3 308.447 2.452 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(F)ccc2C)[C@H](OC)C1 ZINC001081995725 1089627470 /nfs/dbraw/zinc/62/74/70/1089627470.db2.gz ZPPHFKNXROCNIC-HZPDHXFCSA-N 0 3 306.381 2.139 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](OC)C1 ZINC001082050101 1089672583 /nfs/dbraw/zinc/67/25/83/1089672583.db2.gz MIQWBGVUZHNZKA-IAGOWNOFSA-N 0 3 319.449 2.383 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H](OC)C1 ZINC001082328579 1089845315 /nfs/dbraw/zinc/84/53/15/1089845315.db2.gz AKPHGMDPAXTAJM-IAGOWNOFSA-N 0 3 319.449 2.218 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(F)cc2C)[C@H](OC)C1 ZINC001082336103 1089860224 /nfs/dbraw/zinc/86/02/24/1089860224.db2.gz WEPNCNRVHIKQMF-HZPDHXFCSA-N 0 3 306.381 2.139 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)cc2)[C@H](OC)C1 ZINC001082341420 1089863254 /nfs/dbraw/zinc/86/32/54/1089863254.db2.gz LXIOUBTYYRCNMV-IAGOWNOFSA-N 0 3 302.418 2.390 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001082722930 1090057426 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DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C1 ZINC001084861463 1090482010 /nfs/dbraw/zinc/48/20/10/1090482010.db2.gz PPOIGZJIVFFEAH-GFNSITTLSA-N 0 3 300.446 2.387 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H](CNCc2sc(C)nc2C)C1 ZINC001273237600 1090486450 /nfs/dbraw/zinc/48/64/50/1090486450.db2.gz SDDGVMSOEBCBKQ-CQSZACIVSA-N 0 3 323.462 2.043 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(C)(F)F)NCc1ccc(F)c(C#N)c1 ZINC001410320930 1090551483 /nfs/dbraw/zinc/55/14/83/1090551483.db2.gz FEALXRKKDPZWFE-JTQLQIEISA-N 0 3 313.323 2.289 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncnc1C ZINC001085141831 1090671707 /nfs/dbraw/zinc/67/17/07/1090671707.db2.gz UTRWKHNZIJXFTD-ZIAGYGMSSA-N 0 3 308.813 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)ncn1 ZINC001085173064 1090692745 /nfs/dbraw/zinc/69/27/45/1090692745.db2.gz DUKFKZNLHAJYHT-CHWSQXEVSA-N 0 3 308.813 2.168 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cc(OC)ccc3F)C2)C1=O ZINC001273295867 1090760545 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C=C(C)CCN1CC(N2CCN(C(=O)CCCC3CC3)CC2)C1 ZINC001274474490 1091260884 /nfs/dbraw/zinc/26/08/84/1091260884.db2.gz PGBSTCIFERARIK-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cc4ccncc4[nH]3)CC2)C1=O ZINC001274483141 1091264447 /nfs/dbraw/zinc/26/44/47/1091264447.db2.gz IKFFFLDXTHWZEF-UHFFFAOYSA-N 0 3 322.412 2.011 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C[C@@H](C)c1ccccc1OC ZINC001274510014 1091277189 /nfs/dbraw/zinc/27/71/89/1091277189.db2.gz LYNZILGNECKKAP-ZPIQOJFGSA-N 0 3 300.402 2.084 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001274532094 1091288670 /nfs/dbraw/zinc/28/86/70/1091288670.db2.gz XRTUIJRNIRJZSA-HNNXBMFYSA-N 0 3 308.834 2.459 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3c[nH]c(C)n3)C2)C1=O ZINC001274576676 1091306641 /nfs/dbraw/zinc/30/66/41/1091306641.db2.gz PSCBMCIQGRBUQN-LJQANCHMSA-N 0 3 322.412 2.394 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(CC)cc1[O-] ZINC001274652614 1091349616 /nfs/dbraw/zinc/34/96/16/1091349616.db2.gz AYAFOZJPPBAUDI-IAGOWNOFSA-N 0 3 312.413 2.153 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(CC)cc1[O-] ZINC001274652614 1091349627 /nfs/dbraw/zinc/34/96/27/1091349627.db2.gz AYAFOZJPPBAUDI-IAGOWNOFSA-N 0 3 312.413 2.153 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(CCOC)CCC2)C[C@@H]1C ZINC001274654780 1091354954 /nfs/dbraw/zinc/35/49/54/1091354954.db2.gz OTTMNQURIKPUPY-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2nccs2)C[C@@H]1C ZINC001274661953 1091357249 /nfs/dbraw/zinc/35/72/49/1091357249.db2.gz DJKFIWPHSPSUIU-UONOGXRCSA-N 0 3 305.447 2.068 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCOc2ccccc2)C[C@@H]1C ZINC001274662499 1091359028 /nfs/dbraw/zinc/35/90/28/1091359028.db2.gz IWMXYJPNEXIUNQ-HOTGVXAUSA-N 0 3 300.402 2.058 20 30 DEEDHN CCO[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001274687203 1091369223 /nfs/dbraw/zinc/36/92/23/1091369223.db2.gz YVVOBESPUZDGDM-KGLIPLIRSA-N 0 3 322.836 2.211 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1cc2sccc2s1 ZINC001274810937 1091429667 /nfs/dbraw/zinc/42/96/67/1091429667.db2.gz SJHAXASTGNGCMB-LLVKDONJSA-N 0 3 322.455 2.321 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001411238450 1091455484 /nfs/dbraw/zinc/45/54/84/1091455484.db2.gz FHEHLZWPOKVWLF-QGLTVNCISA-N 0 3 324.856 2.245 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@@H](C)c2n[nH]c(C)n2)CCC1 ZINC001274913706 1091472736 /nfs/dbraw/zinc/47/27/36/1091472736.db2.gz SJQLZGDGBKCMKH-NEPJUHHUSA-N 0 3 305.426 2.015 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001275257725 1091641578 /nfs/dbraw/zinc/64/15/78/1091641578.db2.gz AZFNUETXESVMPX-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)CNCC#CCOC ZINC001275328642 1091672463 /nfs/dbraw/zinc/67/24/63/1091672463.db2.gz ZNKNBETVCOERGG-RDJZCZTQSA-N 0 3 308.466 2.337 20 30 DEEDHN C[C@@H](NC(=O)C#CC1CC1)[C@H](C)NCc1ccnc(Cl)c1 ZINC001275394849 1091712775 /nfs/dbraw/zinc/71/27/75/1091712775.db2.gz SBEVHRILBQZVTB-NWDGAFQWSA-N 0 3 305.809 2.131 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001276221124 1091714662 /nfs/dbraw/zinc/71/46/62/1091714662.db2.gz NJFDGKBBVYNIBD-CYBMUJFWSA-N 0 3 311.813 2.040 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1cc(C)n(C)n1 ZINC001276253385 1091743576 /nfs/dbraw/zinc/74/35/76/1091743576.db2.gz TXRHXWCAXYJIMQ-UHFFFAOYSA-N 0 3 306.454 2.269 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(C[C@H](C)C(=O)OC)C2 ZINC001273487028 1091877575 /nfs/dbraw/zinc/87/75/75/1091877575.db2.gz BKPUKMGEPAITMR-YJBOKZPZSA-N 0 3 322.449 2.219 20 30 DEEDHN C#CCCCN1CCCC[C@]12CC(=O)N(CC(C)(C)OC)C2 ZINC001273541714 1091913216 /nfs/dbraw/zinc/91/32/16/1091913216.db2.gz JAEZIQDOHRCEIT-GOSISDBHSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nccc3[nH]ccc32)CC1 ZINC000948785175 1091933855 /nfs/dbraw/zinc/93/38/55/1091933855.db2.gz CHKUTZPGYKTXAS-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000948812134 1091950915 /nfs/dbraw/zinc/95/09/15/1091950915.db2.gz HCBFCJALTOPZTB-OAHLLOKOSA-N 0 3 315.417 2.045 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@H]2CCCN(CC#C)CC2)cc1 ZINC000948832998 1091961201 /nfs/dbraw/zinc/96/12/01/1091961201.db2.gz GNPUVOJVWHDSFO-SFHVURJKSA-N 0 3 324.424 2.258 20 30 DEEDHN CC(C)CN1CC[C@@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273631569 1091964795 /nfs/dbraw/zinc/96/47/95/1091964795.db2.gz IAEZXZFIHVSIET-GOSISDBHSA-N 0 3 312.417 2.034 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)c1ccnn1C ZINC000948899066 1091988072 /nfs/dbraw/zinc/98/80/72/1091988072.db2.gz QLVMAEJMPLVAJY-GOSISDBHSA-N 0 3 324.428 2.325 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001273701970 1092002902 /nfs/dbraw/zinc/00/29/02/1092002902.db2.gz HCYPUTUUAMPDGM-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2nnc(C)[nH]2)CC1 ZINC001273763537 1092037957 /nfs/dbraw/zinc/03/79/57/1092037957.db2.gz YYTPIKPCBNBXBY-UHFFFAOYSA-N 0 3 319.453 2.330 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ncc(C)cc1C)CC2 ZINC001273784257 1092048029 /nfs/dbraw/zinc/04/80/29/1092048029.db2.gz JKUQPKDFVZUTJX-MRXNPFEDSA-N 0 3 311.429 2.050 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC(C)C)OC)C2 ZINC001273840906 1092300194 /nfs/dbraw/zinc/30/01/94/1092300194.db2.gz PAVYPGKXPOTOER-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)N(C)CCOCC(F)F)CC1 ZINC001275919493 1092310600 /nfs/dbraw/zinc/31/06/00/1092310600.db2.gz DKSFFTHDJCIYOK-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)N(C)CCn2cccn2)CC1 ZINC001275921559 1092315811 /nfs/dbraw/zinc/31/58/11/1092315811.db2.gz UYGZWXLTVZMOSB-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001275970654 1092407193 /nfs/dbraw/zinc/40/71/93/1092407193.db2.gz QLMIQPSDLYQXJG-CQSZACIVSA-N 0 3 319.449 2.146 20 30 DEEDHN C#CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nc[nH]c21 ZINC001275976099 1092421281 /nfs/dbraw/zinc/42/12/81/1092421281.db2.gz ZTXSLCYNMQEGAW-GASCZTMLSA-N 0 3 322.412 2.265 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001275986142 1092442895 /nfs/dbraw/zinc/44/28/95/1092442895.db2.gz JBDPXPRVQACBBB-QAPCUYQASA-N 0 3 302.418 2.315 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001276001972 1092480959 /nfs/dbraw/zinc/48/09/59/1092480959.db2.gz IVHBTVKAJSTHNX-PBHICJAKSA-N 0 3 302.418 2.229 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C2[C@@H]3CCC[C@H]23)c1 ZINC001273938847 1092523234 /nfs/dbraw/zinc/52/32/34/1092523234.db2.gz KRYCQGHMFBCQQB-NGEVRDCSSA-N 0 3 309.413 2.366 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001488700308 1092718985 /nfs/dbraw/zinc/71/89/85/1092718985.db2.gz VNWJCCSJXSYTMY-WMZOPIPTSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001488704950 1092723455 /nfs/dbraw/zinc/72/34/55/1092723455.db2.gz PUVNAMVTUGPMNT-LFVTVUPYSA-N 0 3 314.404 2.318 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1nccn1C ZINC001488988265 1092866883 /nfs/dbraw/zinc/86/68/83/1092866883.db2.gz OUPXPAGJCSJPNY-JKSUJKDBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001489152908 1092955697 /nfs/dbraw/zinc/95/56/97/1092955697.db2.gz OEKYABDZKPKCBZ-QGZVFWFLSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCCCN(C(=O)C(C)(C)C)C1 ZINC001489240629 1093001499 /nfs/dbraw/zinc/00/14/99/1093001499.db2.gz PFVCJUCMDWOGRG-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1conc1C ZINC001489339609 1093028294 /nfs/dbraw/zinc/02/82/94/1093028294.db2.gz QIYMPOLZPRQAMR-HNNXBMFYSA-N 0 3 321.421 2.112 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cccc(COC)c1 ZINC001493148832 1093063396 /nfs/dbraw/zinc/06/33/96/1093063396.db2.gz MPCUACZAZUHDHO-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C[C@H](C)c1ccccc1 ZINC001490276300 1093271225 /nfs/dbraw/zinc/27/12/25/1093271225.db2.gz PEUKMYNPIXVRDS-KRWDZBQOSA-N 0 3 316.445 2.268 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H]1COc2ccccc21)C1CC1 ZINC001490393592 1093343288 /nfs/dbraw/zinc/34/32/88/1093343288.db2.gz VLVBYXMGLQXBHD-QGZVFWFLSA-N 0 3 312.413 2.157 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001490557584 1093418362 /nfs/dbraw/zinc/41/83/62/1093418362.db2.gz SSFIFQODQZSITH-WBVHZDCISA-N 0 3 318.465 2.238 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCOc2ccc(OC)cc2)C1 ZINC001490577030 1093428623 /nfs/dbraw/zinc/42/86/23/1093428623.db2.gz HEWMCMAMCWGFFH-OAHLLOKOSA-N 0 3 318.417 2.231 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C1 ZINC001274188036 1093842076 /nfs/dbraw/zinc/84/20/76/1093842076.db2.gz DEDYAXCYWPCDEU-CJNGLKHVSA-N 0 3 315.442 2.360 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccnc(C(F)F)c3)C2)C1=O ZINC001274225636 1093860590 /nfs/dbraw/zinc/86/05/90/1093860590.db2.gz NQMGMXZJJUXMAI-KRWDZBQOSA-N 0 3 319.355 2.077 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2nc3ccccc3n2C)C1 ZINC001480196542 1151714573 /nfs/dbraw/zinc/71/45/73/1151714573.db2.gz WYOCWNCZNQVJOI-OKILXGFUSA-N 0 3 312.417 2.276 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C#CC3CC3)C[C@@H]2C1 ZINC001276830514 1138329432 /nfs/dbraw/zinc/32/94/32/1138329432.db2.gz OXCANOXZZLBCGH-ARFHVFGLSA-N 0 3 306.837 2.369 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C#CC3CC3)C[C@H]2C1 ZINC001276830515 1138329488 /nfs/dbraw/zinc/32/94/88/1138329488.db2.gz OXCANOXZZLBCGH-HRCADAONSA-N 0 3 306.837 2.369 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CC12CCOCC2 ZINC001277373287 1138330073 /nfs/dbraw/zinc/33/00/73/1138330073.db2.gz TZTYFQPEQPCFMY-KGLIPLIRSA-N 0 3 314.857 2.430 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001277994978 1138392318 /nfs/dbraw/zinc/39/23/18/1138392318.db2.gz MAYJLHCJAODDOS-LBPRGKRZSA-N 0 3 317.414 2.477 20 30 DEEDHN CC(=O)NC1CCN(Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237463295 1138640670 /nfs/dbraw/zinc/64/06/70/1138640670.db2.gz ANWPZRJMAFHKFN-UHFFFAOYSA-N 0 3 310.401 2.150 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cncn1CC)C2 ZINC001237589937 1138701927 /nfs/dbraw/zinc/70/19/27/1138701927.db2.gz UUCSSIZDCKMIOG-MSOLQXFVSA-N 0 3 319.449 2.477 20 30 DEEDHN CCN1CC2(C1)CCOC[C@H]2C(=O)Nc1cc(C)ccc1C#N ZINC001278161986 1138809051 /nfs/dbraw/zinc/80/90/51/1138809051.db2.gz RNEWMLWLQXWFKK-HNNXBMFYSA-N 0 3 313.401 2.164 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cncnc1C)CC2 ZINC001238167267 1138830300 /nfs/dbraw/zinc/83/03/00/1138830300.db2.gz WDUNBSAFBNOIPN-GOSISDBHSA-N 0 3 314.433 2.318 20 30 DEEDHN N#Cc1ncc(-c2ccc(OCCN3CCCC3)nn2)cc1F ZINC001238990071 1138895810 /nfs/dbraw/zinc/89/58/10/1138895810.db2.gz SNWKVJQOVWPRJN-UHFFFAOYSA-N 0 3 313.336 2.024 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2cncn2C)[C@H]1C ZINC001278293319 1139020902 /nfs/dbraw/zinc/02/09/02/1139020902.db2.gz MGVPIOKCRDYDIC-NVXWUHKLSA-N 0 3 316.449 2.083 20 30 DEEDHN N#Cc1ccc(CNC23CC(C(=O)NCC(F)F)(C2)C3)c(F)c1 ZINC001278306279 1139212519 /nfs/dbraw/zinc/21/25/19/1139212519.db2.gz QNSWAHYNAGWSJQ-UHFFFAOYSA-N 0 3 323.318 2.091 20 30 DEEDHN Cc1nc(-c2ccc(CN3CCN(C)CC3)cc2)cnc1C#N ZINC001240395428 1139356376 /nfs/dbraw/zinc/35/63/76/1139356376.db2.gz FPTFHDMXJLUKRX-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN Cc1cnc(-c2ccc(CN3CCN(C)CC3)cc2)c(C#N)n1 ZINC001240395637 1139356779 /nfs/dbraw/zinc/35/67/79/1139356779.db2.gz IVIJYWARVIEKNY-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001296223465 1139726178 /nfs/dbraw/zinc/72/61/78/1139726178.db2.gz SLBMRXNIBPZTNV-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001296715251 1139818441 /nfs/dbraw/zinc/81/84/41/1139818441.db2.gz GQASPIFOXVSIAG-YOEHRIQHSA-N 0 3 318.417 2.303 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(CC)C(=O)CN(C)C(C)C)C1 ZINC001297325820 1139860219 /nfs/dbraw/zinc/86/02/19/1139860219.db2.gz LJRJKKFRBGKPJZ-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001297521653 1139875624 /nfs/dbraw/zinc/87/56/24/1139875624.db2.gz RQJXLXPXPLATKN-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001297530603 1139876184 /nfs/dbraw/zinc/87/61/84/1139876184.db2.gz WVPVWRPQPIAPOQ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCN1C(=O)CN(C)CC(C)(C)C ZINC001299087999 1140141395 /nfs/dbraw/zinc/14/13/95/1140141395.db2.gz LEJHQOBOKSLLPA-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](C)CCOc1ccccc1 ZINC001491700296 1140260311 /nfs/dbraw/zinc/26/03/11/1140260311.db2.gz XLVFXKMEZRHRPP-CVEARBPZSA-N 0 3 302.418 2.209 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC001318425720 1140325571 /nfs/dbraw/zinc/32/55/71/1140325571.db2.gz WGBXSDLFMUEZAK-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(CCOC)CCCC2)C1 ZINC001318445315 1140331574 /nfs/dbraw/zinc/33/15/74/1140331574.db2.gz LFNOFFDHNWYYKM-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC[C@@H](CNC(=O)CSCC#N)NCc1cc(C)ccc1F ZINC001318502593 1140352857 /nfs/dbraw/zinc/35/28/57/1140352857.db2.gz LEWMADXRMPYELO-AWEZNQCLSA-N 0 3 323.437 2.375 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNCC(=O)NC(C)(C)C)CCCC1 ZINC001318636339 1140376944 /nfs/dbraw/zinc/37/69/44/1140376944.db2.gz PTKSDTWAYRNNAA-UHFFFAOYSA-N 0 3 323.481 2.276 20 30 DEEDHN C#Cc1cncc(C(=O)NC2(CNCC(=C)Cl)CCCC2)c1 ZINC001318654288 1140380252 /nfs/dbraw/zinc/38/02/52/1140380252.db2.gz OJCJULPPXOQRAO-UHFFFAOYSA-N 0 3 317.820 2.448 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001278385045 1140386106 /nfs/dbraw/zinc/38/61/06/1140386106.db2.gz PWGXWFNBGKNLKD-NVXWUHKLSA-N 0 3 322.412 2.088 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cncnc2C)C1 ZINC001318775715 1140409591 /nfs/dbraw/zinc/40/95/91/1140409591.db2.gz JNCPZDMIYHIAJV-AWEZNQCLSA-N 0 3 322.840 2.369 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccnnc2C)C1 ZINC001318805796 1140424056 /nfs/dbraw/zinc/42/40/56/1140424056.db2.gz PNGKICGDUVLTFI-CQSZACIVSA-N 0 3 322.840 2.369 20 30 DEEDHN C#CCCCC(=O)N[C@]1(C)CCN(CCOCC2CCC2)C1 ZINC001278388532 1140473454 /nfs/dbraw/zinc/47/34/54/1140473454.db2.gz LOPJUUADUWCQBD-GOSISDBHSA-N 0 3 306.450 2.187 20 30 DEEDHN CC(C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccc(F)cc1 ZINC001319049476 1140496275 /nfs/dbraw/zinc/49/62/75/1140496275.db2.gz SRAAOOYFJOTTLN-QGZVFWFLSA-N 0 3 302.393 2.414 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)c1ccco1)CC2 ZINC001319391785 1140561883 /nfs/dbraw/zinc/56/18/83/1140561883.db2.gz DBWMMEOJKORPIH-UHFFFAOYSA-N 0 3 304.390 2.020 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C#CC1CC1 ZINC001319456066 1140582185 /nfs/dbraw/zinc/58/21/85/1140582185.db2.gz WPFPWJLTBGZSEK-CYBMUJFWSA-N 0 3 313.376 2.047 20 30 DEEDHN Cc1c[nH]cc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319573947 1140618128 /nfs/dbraw/zinc/61/81/28/1140618128.db2.gz JOKAFPHLFZJCPL-INIZCTEOSA-N 0 3 309.413 2.425 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001278404444 1140620031 /nfs/dbraw/zinc/62/00/31/1140620031.db2.gz GFEYQDIUDYKYMP-INIZCTEOSA-N 0 3 307.825 2.353 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)C1(C)CCCC1 ZINC001319619540 1140626054 /nfs/dbraw/zinc/62/60/54/1140626054.db2.gz AUJWCZAIIOPECR-MRXNPFEDSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COC/C=C\c2ccccc2)C1 ZINC001278406116 1140642317 /nfs/dbraw/zinc/64/23/17/1140642317.db2.gz SFGNSDVWUKLPAS-JNLAIUADSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](CN[C@@H](C)C(N)=O)C1CCCCC1 ZINC001319651654 1140642400 /nfs/dbraw/zinc/64/24/00/1140642400.db2.gz PHKLSKKZRSDMAN-DZGCQCFKSA-N 0 3 323.481 2.117 20 30 DEEDHN C#CCOCCN(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001319655393 1140644912 /nfs/dbraw/zinc/64/49/12/1140644912.db2.gz GTTXRIPREMUWPR-UHFFFAOYSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(OCC2CC2)nc1 ZINC001329623642 1148944771 /nfs/dbraw/zinc/94/47/71/1148944771.db2.gz MANZTLURFNQFOH-ZDUSSCGKSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cc[n+]([O-])cc1 ZINC001319725592 1140692403 /nfs/dbraw/zinc/69/24/03/1140692403.db2.gz YUNKIGANLKQOET-HNNXBMFYSA-N 0 3 323.824 2.047 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C ZINC001319911723 1140802446 /nfs/dbraw/zinc/80/24/46/1140802446.db2.gz UNWVCCNZQOSMIS-RISCZKNCSA-N 0 3 323.264 2.363 20 30 DEEDHN CC#CCN(C)CCN(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC001320089881 1140820058 /nfs/dbraw/zinc/82/00/58/1140820058.db2.gz GTVUWJVEUNLVAC-UHFFFAOYSA-N 0 3 319.449 2.149 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1ccn(C)n1 ZINC001320167420 1140832459 /nfs/dbraw/zinc/83/24/59/1140832459.db2.gz VEHRXEZPFTURSI-HOCLYGCPSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001320499955 1140872170 /nfs/dbraw/zinc/87/21/70/1140872170.db2.gz LEWWFLVJQMXVDW-BNOWGMLFSA-N 0 3 300.830 2.038 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)OCCCC)CCC[C@H]12 ZINC001278440490 1140880322 /nfs/dbraw/zinc/88/03/22/1140880322.db2.gz OZGOPIWVIIOYEV-SOLBZPMBSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001278444091 1140889631 /nfs/dbraw/zinc/88/96/31/1140889631.db2.gz OCPJWIAJDNJWEW-SFHVURJKSA-N 0 3 302.418 2.394 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1C[C@H]1C ZINC001320672079 1140892407 /nfs/dbraw/zinc/89/24/07/1140892407.db2.gz IZXSOOANJPJSQO-DOMZBBRYSA-N 0 3 303.381 2.291 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)COC3CCCCC3)CCC[C@H]12 ZINC001278453424 1140928401 /nfs/dbraw/zinc/92/84/01/1140928401.db2.gz UKNGEJFUGKNBLK-PKOBYXMFSA-N 0 3 318.461 2.472 20 30 DEEDHN C/C=C(\C)C(=O)NC/C=C/CNCc1ccc(OC)c(C#N)c1 ZINC001321014793 1141030545 /nfs/dbraw/zinc/03/05/45/1141030545.db2.gz SKHPAPLEPDWSGY-XLAORITDSA-N 0 3 313.401 2.295 20 30 DEEDHN CO[C@@H](CNC/C=C/CNC(=O)C#CC(C)C)c1ccccc1 ZINC001321054357 1141041743 /nfs/dbraw/zinc/04/17/43/1141041743.db2.gz LNEJTMWDOXVUPX-DVBCCOPCSA-N 0 3 314.429 2.296 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1ccccc1-c1ccncc1 ZINC001321112018 1141057354 /nfs/dbraw/zinc/05/73/54/1141057354.db2.gz RSSKHKXTKCDRHT-AATRIKPKSA-N 0 3 305.381 2.257 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001321126773 1141061759 /nfs/dbraw/zinc/06/17/59/1141061759.db2.gz QEXSWGBBRMEPEL-VFNNOXKTSA-N 0 3 302.422 2.061 20 30 DEEDHN C#CCNC/C=C/CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001321178135 1141076172 /nfs/dbraw/zinc/07/61/72/1141076172.db2.gz NYIKFOQKKDWPSX-SNAWJCMRSA-N 0 3 304.821 2.476 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001321256528 1141100402 /nfs/dbraw/zinc/10/04/02/1141100402.db2.gz LWXOVOKNJSJCGD-IRXDYDNUSA-N 0 3 317.433 2.103 20 30 DEEDHN C=C(Cl)CNC[C@]1(C)CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC001278470292 1141101200 /nfs/dbraw/zinc/10/12/00/1141101200.db2.gz RUMYBALNXWVILI-HNNXBMFYSA-N 0 3 300.830 2.182 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001321379337 1141217685 /nfs/dbraw/zinc/21/76/85/1141217685.db2.gz XUBPSVQROHLVRS-MWWKQMNYSA-N 0 3 300.402 2.048 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC1CCCC1 ZINC001321859236 1141356157 /nfs/dbraw/zinc/35/61/57/1141356157.db2.gz CYWXZDOJQWEVHT-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN Cc1ccoc1CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001321981216 1141376899 /nfs/dbraw/zinc/37/68/99/1141376899.db2.gz MZSXQBHHMXESBR-INIZCTEOSA-N 0 3 310.397 2.277 20 30 DEEDHN C=CC[C@H](N)c1nc(-c2cccc(N3CCN(C)CC3)c2)no1 ZINC001247966749 1141654831 /nfs/dbraw/zinc/65/48/31/1141654831.db2.gz GFNNXXRQZKMVKW-HNNXBMFYSA-N 0 3 313.405 2.064 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc2n1CCCC2 ZINC001322662429 1141672277 /nfs/dbraw/zinc/67/22/77/1141672277.db2.gz RGGUQTCLARIUJI-UHFFFAOYSA-N 0 3 310.829 2.024 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](CNCc2ccccn2)C2CC2)cc1 ZINC001323052941 1141806351 /nfs/dbraw/zinc/80/63/51/1141806351.db2.gz UDLFUFLHCUYFJE-LJQANCHMSA-N 0 3 319.408 2.361 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001323277103 1141836016 /nfs/dbraw/zinc/83/60/16/1141836016.db2.gz KAYAPDBZYNNVNF-ZIAGYGMSSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2C[C@H](OCC)C2CC2)C1 ZINC001323301024 1141839274 /nfs/dbraw/zinc/83/92/74/1141839274.db2.gz FAIYZPWVDSFZSM-CVEARBPZSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001323309228 1141840467 /nfs/dbraw/zinc/84/04/67/1141840467.db2.gz MQHJHJSSXOFFSJ-HUUCEWRRSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001323311236 1141841230 /nfs/dbraw/zinc/84/12/30/1141841230.db2.gz UZKMAEUQDPSMKE-GOEBONIOSA-N 0 3 304.438 2.452 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001323334025 1141843423 /nfs/dbraw/zinc/84/34/23/1141843423.db2.gz GZPIZCFLQFZIHR-LBPRGKRZSA-N 0 3 316.361 2.100 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001323472534 1141856576 /nfs/dbraw/zinc/85/65/76/1141856576.db2.gz ONMVBAHIXYRXOP-INIZCTEOSA-N 0 3 304.434 2.011 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@H](O)COc2ccccc2Cl)C1 ZINC001323727067 1141881376 /nfs/dbraw/zinc/88/13/76/1141881376.db2.gz FQXPJNHVJUTMFH-UONOGXRCSA-N 0 3 311.809 2.357 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001323802572 1141887629 /nfs/dbraw/zinc/88/76/29/1141887629.db2.gz JPWGQAJXIXBCOO-LJQANCHMSA-N 0 3 300.446 2.374 20 30 DEEDHN CN1C(=O)CC[C@H]2CN(Cc3cc4ccc(C#N)cc4[nH]3)CC[C@@H]21 ZINC001249431104 1141888823 /nfs/dbraw/zinc/88/88/23/1141888823.db2.gz UJVVQXIRCHTZNI-YJBOKZPZSA-N 0 3 322.412 2.482 20 30 DEEDHN C#CCN1CCC(C)(NC(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001324318844 1142054685 /nfs/dbraw/zinc/05/46/85/1142054685.db2.gz PRTNBTKXZMXQBK-INIZCTEOSA-N 0 3 316.449 2.074 20 30 DEEDHN C#CCN(C(=O)C1=CCCC1)C1CCN(CCOC(C)C)CC1 ZINC001324384282 1142067042 /nfs/dbraw/zinc/06/70/42/1142067042.db2.gz DTLDEYPHAXVWIE-UHFFFAOYSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCN(C(=O)c1ccc(Cl)[nH]1)C1CCN(CC=C)CC1 ZINC001324420774 1142075154 /nfs/dbraw/zinc/07/51/54/1142075154.db2.gz ZGEHQNZGQWCKKG-UHFFFAOYSA-N 0 3 305.809 2.394 20 30 DEEDHN N#Cc1cccc(C(=O)Cc2cnn(CCN3CCCC3)c2)c1 ZINC001250289313 1142132180 /nfs/dbraw/zinc/13/21/80/1142132180.db2.gz MBWXJUODVRLCDI-UHFFFAOYSA-N 0 3 308.385 2.276 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)N(C)CCn2cccn2)CCCC1 ZINC001329627430 1148947396 /nfs/dbraw/zinc/94/73/96/1148947396.db2.gz FUXVTGMGOUJXTO-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1CCCCN1C ZINC001336764585 1142565154 /nfs/dbraw/zinc/56/51/54/1142565154.db2.gz LNOQUTALSOEWGT-AWEZNQCLSA-N 0 3 323.462 2.047 20 30 DEEDHN C=CCOC[C@@H](O)CNc1ccncc1Oc1ccccc1 ZINC001252454102 1142718512 /nfs/dbraw/zinc/71/85/12/1142718512.db2.gz NJOSOTQQPIZQRK-AWEZNQCLSA-N 0 3 300.358 2.271 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC(C(C)=O)(c2ccccc2)CC1 ZINC001252468119 1142722749 /nfs/dbraw/zinc/72/27/49/1142722749.db2.gz KUGMOWXKFCYJBU-SFHVURJKSA-N 0 3 317.429 2.173 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(c2nc(C(=O)OCC)co2)CC1 ZINC001252603661 1142784060 /nfs/dbraw/zinc/78/40/60/1142784060.db2.gz DFSSLGQSGQRTAM-AWEZNQCLSA-N 0 3 322.405 2.358 20 30 DEEDHN C=CCC[C@H](O)CNCc1ccnc(N2CCCCC2=O)c1 ZINC001252622226 1142792109 /nfs/dbraw/zinc/79/21/09/1142792109.db2.gz QKHOPMBQCXBIBO-HNNXBMFYSA-N 0 3 303.406 2.015 20 30 DEEDHN C=CCC[C@@H](O)CNCc1ccnc(N2CCCCC2=O)c1 ZINC001252622227 1142792854 /nfs/dbraw/zinc/79/28/54/1142792854.db2.gz QKHOPMBQCXBIBO-OAHLLOKOSA-N 0 3 303.406 2.015 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001252676589 1142806929 /nfs/dbraw/zinc/80/69/29/1142806929.db2.gz WSZDUMGQCPTAFI-SJLPKXTDSA-N 0 3 318.417 2.187 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001337879297 1142807163 /nfs/dbraw/zinc/80/71/63/1142807163.db2.gz PJBRSEODJVUOAT-UHFFFAOYSA-N 0 3 301.346 2.187 20 30 DEEDHN COc1ccccc1OC[C@H](O)CNCc1cc(C#N)cs1 ZINC001252915758 1142829618 /nfs/dbraw/zinc/82/96/18/1142829618.db2.gz YIPIJGZTZARPJZ-CYBMUJFWSA-N 0 3 318.398 2.158 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(C[C@@](C)(O)c2ccccc2)C1 ZINC001253107445 1142844242 /nfs/dbraw/zinc/84/42/42/1142844242.db2.gz QCTFFDVDNOZYFE-FUHWJXTLSA-N 0 3 318.417 2.271 20 30 DEEDHN CCOc1cccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1O ZINC001338287617 1142845335 /nfs/dbraw/zinc/84/53/35/1142845335.db2.gz FXQUACYHKXWWOA-ZIAGYGMSSA-N 0 3 303.406 2.209 20 30 DEEDHN C=CCn1c([C@H](O)C(C)C)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001339041267 1142906938 /nfs/dbraw/zinc/90/69/38/1142906938.db2.gz MWZMQTZIAVEVTA-LSDHHAIUSA-N 0 3 321.469 2.074 20 30 DEEDHN Cc1ccc(OC[C@H](O)CNCc2csc(C#N)c2)cc1 ZINC001253847507 1142985410 /nfs/dbraw/zinc/98/54/10/1142985410.db2.gz OSYCMCODPAHQIZ-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN CC(=O)C=C(C)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001254048611 1143030870 /nfs/dbraw/zinc/03/08/70/1143030870.db2.gz TXBZDCZOJZNNSP-QINSGFPZSA-N 0 3 302.418 2.096 20 30 DEEDHN N=C(N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cn1 ZINC001254576765 1143260551 /nfs/dbraw/zinc/26/05/51/1143260551.db2.gz YXMPCTRPNURDKB-GFCCVEGCSA-N 0 3 300.293 2.002 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001340332622 1143325455 /nfs/dbraw/zinc/32/54/55/1143325455.db2.gz ZAVLBPXECGLZNV-KFWWJZLASA-N 0 3 303.454 2.366 20 30 DEEDHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NCC1(C#N)CC1)CCO2 ZINC001254809114 1143327124 /nfs/dbraw/zinc/32/71/24/1143327124.db2.gz XPEMASJJUJJYDW-ZDUSSCGKSA-N 0 3 321.421 2.048 20 30 DEEDHN CC[C@H](CC#N)N1C[C@H]2[C@H](CC[C@@]23N=C(C)N(CC)C3=O)C1 ZINC001255169957 1143463404 /nfs/dbraw/zinc/46/34/04/1143463404.db2.gz MHUQTUJYQKBLCT-PNBKFKSVSA-N 0 3 302.422 2.040 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001341047131 1143529241 /nfs/dbraw/zinc/52/92/41/1143529241.db2.gz XLWHKYMVYMADKY-SDDRHHMPSA-N 0 3 308.344 2.286 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc(Cl)cc2c1OCC2 ZINC001341386579 1143591944 /nfs/dbraw/zinc/59/19/44/1143591944.db2.gz SOWGXVVCXLKSSN-IINYFYTJSA-N 0 3 321.808 2.473 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC001341462975 1143608100 /nfs/dbraw/zinc/60/81/00/1143608100.db2.gz JDWRKEPONVBIFZ-HUUCEWRRSA-N 0 3 310.438 2.156 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001341532455 1143622930 /nfs/dbraw/zinc/62/29/30/1143622930.db2.gz JEZPWCUNSJGRNJ-HOTGVXAUSA-N 0 3 306.381 2.409 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1OC ZINC001341601395 1143635517 /nfs/dbraw/zinc/63/55/17/1143635517.db2.gz PASIQKPHPMSDKL-UONOGXRCSA-N 0 3 306.406 2.262 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCCN(c2ccccc2)CC1 ZINC001341673246 1143657471 /nfs/dbraw/zinc/65/74/71/1143657471.db2.gz ZPAWJPPRDJSQHC-KRWDZBQOSA-N 0 3 301.434 2.409 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001278868408 1143666184 /nfs/dbraw/zinc/66/61/84/1143666184.db2.gz BEEKKNXHINEXKJ-OAHLLOKOSA-N 0 3 315.417 2.027 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCc1nc2c(s1)CCCC2 ZINC001341968085 1143756804 /nfs/dbraw/zinc/75/68/04/1143756804.db2.gz RPHWNXJEEAKYTJ-LLVKDONJSA-N 0 3 306.435 2.049 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC1(c2ccc3c(c2)OCCO3)CC1 ZINC001342156860 1143799391 /nfs/dbraw/zinc/79/93/91/1143799391.db2.gz QULQPNOLXFSLIK-AWEZNQCLSA-N 0 3 316.401 2.247 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC001255833243 1143809709 /nfs/dbraw/zinc/80/97/09/1143809709.db2.gz PNGVJLBPICIHJW-BPUTZDHNSA-N 0 3 313.401 2.003 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC001342301553 1143810353 /nfs/dbraw/zinc/81/03/53/1143810353.db2.gz OBJPVRHTEVVELI-JKSUJKDBSA-N 0 3 306.381 2.489 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cncc(C#N)c2)C1 ZINC001255903040 1143813294 /nfs/dbraw/zinc/81/32/94/1143813294.db2.gz MLJNTBKBDUUXFL-HNNXBMFYSA-N 0 3 316.405 2.442 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001342430874 1143817468 /nfs/dbraw/zinc/81/74/68/1143817468.db2.gz FSSPEOSWYQJDCK-LMMKCTJWSA-N 0 3 314.429 2.097 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001342466512 1143819092 /nfs/dbraw/zinc/81/90/92/1143819092.db2.gz BOVKIVPIJLJNTA-PMPSAXMXSA-N 0 3 323.481 2.191 20 30 DEEDHN C=CCOc1ccccc1[C@H](C)NC1CCS(=O)(=O)CC1 ZINC001256380878 1143845715 /nfs/dbraw/zinc/84/57/15/1143845715.db2.gz YEASGSYFQOQHJA-ZDUSSCGKSA-N 0 3 309.431 2.479 20 30 DEEDHN COc1cccc2c1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N[O-])C2 ZINC001256644322 1143859813 /nfs/dbraw/zinc/85/98/13/1143859813.db2.gz VFYURXOXMYIGSJ-HIFRSBDPSA-N 0 3 306.406 2.062 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccn(C)n1)c1ccccc1CC ZINC001278974555 1143873962 /nfs/dbraw/zinc/87/39/62/1143873962.db2.gz AGEDXHWPFBMPOM-KRWDZBQOSA-N 0 3 312.417 2.229 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H]2CC[C@H](C(=O)OCC)C2)C1 ZINC001257066826 1143884607 /nfs/dbraw/zinc/88/46/07/1143884607.db2.gz DAEZHHQQQGZRMV-ZNMIVQPWSA-N 0 3 324.421 2.095 20 30 DEEDHN CC[C@H](C)[C@H](N[C@H]1COc2ccc(Cl)cc2C1)C(=O)NO ZINC001257958743 1143961740 /nfs/dbraw/zinc/96/17/40/1143961740.db2.gz GNMKSVUKHREYRE-BHYNMZESSA-N 0 3 312.797 2.153 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC)C1 ZINC001281048373 1143979980 /nfs/dbraw/zinc/97/99/80/1143979980.db2.gz HCDBLDDEKDPBQQ-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)CCc2cncc(C)c2)CC1 ZINC001279089438 1143991156 /nfs/dbraw/zinc/99/11/56/1143991156.db2.gz CJRMPILMPKDMEF-MRXNPFEDSA-N 0 3 313.445 2.173 20 30 DEEDHN CC(C)C[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)C(=O)N[O-] ZINC001258418964 1144004917 /nfs/dbraw/zinc/00/49/17/1144004917.db2.gz MRUVIQGLLVCHOP-INIZCTEOSA-N 0 3 323.412 2.304 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)CN(C)CCC)C1 ZINC001299564816 1144070921 /nfs/dbraw/zinc/07/09/21/1144070921.db2.gz RZVATBRRLFRBJG-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1ccncc1 ZINC001263100670 1144355798 /nfs/dbraw/zinc/35/57/98/1144355798.db2.gz UOHBDUJMMUEIBS-KBPBESRZSA-N 0 3 311.389 2.119 20 30 DEEDHN C=CCCC(=O)N1CCC(CO[C@H]2CCN(CC#CC)C2)CC1 ZINC001264113270 1144469140 /nfs/dbraw/zinc/46/91/40/1144469140.db2.gz SAVKGYBCBYGGIU-SFHVURJKSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)c1cnn(C)c1 ZINC001264188293 1144501423 /nfs/dbraw/zinc/50/14/23/1144501423.db2.gz CIVVFRDQUYUASF-HOCLYGCPSA-N 0 3 304.438 2.023 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2cnc(C)cn2)C1 ZINC001264390285 1144526534 /nfs/dbraw/zinc/52/65/34/1144526534.db2.gz OQWVLIKKSDQMTG-HRCADAONSA-N 0 3 314.433 2.134 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCCOCC)C2)CC1 ZINC001264495528 1144546639 /nfs/dbraw/zinc/54/66/39/1144546639.db2.gz JWWNMYIJZYGWHC-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@@H]2C1(C)C ZINC001264586362 1144571738 /nfs/dbraw/zinc/57/17/38/1144571738.db2.gz ORYYABLHQLXRGF-JQHSSLGASA-N 0 3 300.446 2.418 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1(COC)CC1 ZINC001264585914 1144572314 /nfs/dbraw/zinc/57/23/14/1144572314.db2.gz ISAHMVAVOINFJB-HYVNUMGLSA-N 0 3 318.461 2.042 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC[C@@H]2CCCCO2)[C@H]1CC ZINC001264619762 1144578989 /nfs/dbraw/zinc/57/89/89/1144578989.db2.gz GOPYUBCNQPMGFL-YESZJQIVSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@H](C)CCC)C1 ZINC001264673600 1144589563 /nfs/dbraw/zinc/58/95/63/1144589563.db2.gz RHCYHZVMWPMZBM-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCN(CCCNC(=O)C1=CCCCCC1)C1CC1 ZINC001265158876 1144657402 /nfs/dbraw/zinc/65/74/02/1144657402.db2.gz JMEKLRSCRYMHSB-UHFFFAOYSA-N 0 3 318.461 2.497 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnc2cnccc2c1)C1CC1 ZINC001265169336 1144659770 /nfs/dbraw/zinc/65/97/70/1144659770.db2.gz ZLSGDEIPKOSLIX-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCn2nc(C)cc2C)C1 ZINC001265220905 1144670506 /nfs/dbraw/zinc/67/05/06/1144670506.db2.gz ROZIPIGGNOJWCC-MRXNPFEDSA-N 0 3 304.438 2.047 20 30 DEEDHN C=CCC1(C(=O)NCCCN2CCN(C(C)C)CC2)CCC1 ZINC001265249992 1144676298 /nfs/dbraw/zinc/67/62/98/1144676298.db2.gz VJTLDENEWZCOFU-UHFFFAOYSA-N 0 3 307.482 2.265 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2ccc(F)cc2C)CC1 ZINC001265265021 1144677281 /nfs/dbraw/zinc/67/72/81/1144677281.db2.gz MMMIBTGOSURPOG-UHFFFAOYSA-N 0 3 319.424 2.058 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCOc2ccccc2C)C1 ZINC001265296745 1144685879 /nfs/dbraw/zinc/68/58/79/1144685879.db2.gz CNEYWJUVINGUFY-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](C)n2cncn2)CC1 ZINC001265337554 1144695475 /nfs/dbraw/zinc/69/54/75/1144695475.db2.gz NMLNWLCFSBPNRI-HNNXBMFYSA-N 0 3 319.453 2.118 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](NCc1cn(C)nc1C)C1CC1 ZINC001265358383 1144698036 /nfs/dbraw/zinc/69/80/36/1144698036.db2.gz IDDWTXNRAMAUFR-MRXNPFEDSA-N 0 3 304.438 2.069 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)COCC1CC1 ZINC001265401921 1144702368 /nfs/dbraw/zinc/70/23/68/1144702368.db2.gz HBLJLRMJXKNZPM-OIISXLGYSA-N 0 3 306.450 2.443 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001265435528 1144703937 /nfs/dbraw/zinc/70/39/37/1144703937.db2.gz IUYUYBFFSBKSIA-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC/C(C)=C/C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001265514613 1144708535 /nfs/dbraw/zinc/70/85/35/1144708535.db2.gz QHSJKKMIIOVDLY-BDMPWFBHSA-N 0 3 304.434 2.104 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001265517747 1144708668 /nfs/dbraw/zinc/70/86/68/1144708668.db2.gz LUHNCKQPZIYVHU-CSNJMZFVSA-N 0 3 318.461 2.350 20 30 DEEDHN C=CCCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001265521941 1144708841 /nfs/dbraw/zinc/70/88/41/1144708841.db2.gz ZCZNBVBQOJWKOW-BWDQUUBFSA-N 0 3 312.841 2.443 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)CCCC2CCOCC2)C1 ZINC001265584300 1144714739 /nfs/dbraw/zinc/71/47/39/1144714739.db2.gz KJNXRPYQIQRFGI-GOSISDBHSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001265586488 1144715470 /nfs/dbraw/zinc/71/54/70/1144715470.db2.gz IDHSKNDMVAIPKX-DLBZAZTESA-N 0 3 318.461 2.187 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001265856108 1144747934 /nfs/dbraw/zinc/74/79/34/1144747934.db2.gz JTULDQDPXHTMEW-HNNXBMFYSA-N 0 3 302.418 2.168 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001265961990 1144770775 /nfs/dbraw/zinc/77/07/75/1144770775.db2.gz NKKCPHMRYBVZRE-IBGZPJMESA-N 0 3 314.429 2.154 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2ncc(Cl)n2C)C1 ZINC001265979544 1144776161 /nfs/dbraw/zinc/77/61/61/1144776161.db2.gz ODNPTMBHRCRGFG-ZDUSSCGKSA-N 0 3 324.856 2.368 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001266116738 1144807284 /nfs/dbraw/zinc/80/72/84/1144807284.db2.gz NCTQDBUNRBIFPL-QGZVFWFLSA-N 0 3 302.393 2.314 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001266145952 1144809628 /nfs/dbraw/zinc/80/96/28/1144809628.db2.gz HTBRYIWPHCKSDO-CHWSQXEVSA-N 0 3 315.421 2.411 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@]1(CO)CCCN(CC)C1)c1ccccc1 ZINC001279530917 1144823917 /nfs/dbraw/zinc/82/39/17/1144823917.db2.gz XNRRXOAVEIEQNL-APWZRJJASA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001279646350 1144826665 /nfs/dbraw/zinc/82/66/65/1144826665.db2.gz ZWIOAAIMFRUNJZ-UHFFFAOYSA-N 0 3 316.449 2.234 20 30 DEEDHN C=C(Br)CNCC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001280154415 1144832755 /nfs/dbraw/zinc/83/27/55/1144832755.db2.gz XVXWCMMUSKKQHM-UHTWSYAYSA-N 0 3 315.255 2.379 20 30 DEEDHN COC[C@@H](C)N(C)Cc1ccccc1CNC(=O)C#CC1CC1 ZINC001280324352 1144835659 /nfs/dbraw/zinc/83/56/59/1144835659.db2.gz GIMSRKQUCMLQEU-OAHLLOKOSA-N 0 3 314.429 2.183 20 30 DEEDHN CC[C@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001280392252 1144837849 /nfs/dbraw/zinc/83/78/49/1144837849.db2.gz VDSWMBOEJIHAQU-IRXDYDNUSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CNCc1cc(C)ns1 ZINC001280434443 1144839520 /nfs/dbraw/zinc/83/95/20/1144839520.db2.gz VRJNHPUCZDXRKS-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN COCC#CCNC1(CNC(=O)CC2(C)CCCC2)CCC1 ZINC001280477646 1144841788 /nfs/dbraw/zinc/84/17/88/1144841788.db2.gz JHJVGSWZIWOKDR-UHFFFAOYSA-N 0 3 306.450 2.235 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001316604034 1144843522 /nfs/dbraw/zinc/84/35/22/1144843522.db2.gz DGZUZAKIYHMUMZ-IUODEOHRSA-N 0 3 304.438 2.239 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(F)c(F)c(F)c1F ZINC001280880500 1144861197 /nfs/dbraw/zinc/86/11/97/1144861197.db2.gz IAMSCLBAOQFJHK-UHFFFAOYSA-N 0 3 316.298 2.270 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001281019174 1144868770 /nfs/dbraw/zinc/86/87/70/1144868770.db2.gz XALUHGHZJYKOOK-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](OCC)C(=C)C)C2 ZINC001281088924 1144871393 /nfs/dbraw/zinc/87/13/93/1144871393.db2.gz XMJFHHGLSYLXCK-HKUYNNGSSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001281329032 1144883034 /nfs/dbraw/zinc/88/30/34/1144883034.db2.gz RSWYDJAXESPNKO-GDBMZVCRSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001281387258 1144886357 /nfs/dbraw/zinc/88/63/57/1144886357.db2.gz IPCOQNWKOKGEAS-PBHICJAKSA-N 0 3 323.396 2.085 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC001281921137 1144920400 /nfs/dbraw/zinc/92/04/00/1144920400.db2.gz XECOLMRXIGLCNY-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001282167262 1145005414 /nfs/dbraw/zinc/00/54/14/1145005414.db2.gz KRJSJCLBIYWIHY-NEPJUHHUSA-N 0 3 319.453 2.267 20 30 DEEDHN Cc1conc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282215077 1145014307 /nfs/dbraw/zinc/01/43/07/1145014307.db2.gz PNWAOWPXPZFISM-HUUCEWRRSA-N 0 3 311.385 2.131 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001282723640 1145144157 /nfs/dbraw/zinc/14/41/57/1145144157.db2.gz BACUYZKNWWPJGN-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001282737089 1145154266 /nfs/dbraw/zinc/15/42/66/1145154266.db2.gz BKXQWQXJSDXUSR-KGLIPLIRSA-N 0 3 302.393 2.389 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC001282820459 1145169361 /nfs/dbraw/zinc/16/93/61/1145169361.db2.gz CIHJKKYIVOLZKT-HUUCEWRRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCOCC(F)(F)F)C(C)(C)C1 ZINC001282813372 1145169758 /nfs/dbraw/zinc/16/97/58/1145169758.db2.gz WNQXXIRIFIBHSO-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001283078078 1145258447 /nfs/dbraw/zinc/25/84/47/1145258447.db2.gz MMCYNTPDTAFGBO-AJNGGQMLSA-N 0 3 312.841 2.205 20 30 DEEDHN N#Cc1cccc([C@H](O)CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC001364492506 1145295418 /nfs/dbraw/zinc/29/54/18/1145295418.db2.gz QQJQLVXFJQFTQD-QRVBRYPASA-N 0 3 308.381 2.231 20 30 DEEDHN C[C@@H](CN(C)C(=O)C1=COCCC1)NCC#Cc1ccccc1 ZINC001283583879 1145533883 /nfs/dbraw/zinc/53/38/83/1145533883.db2.gz XGQWUMPWHNDPKP-INIZCTEOSA-N 0 3 312.413 2.169 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)CN(C)C(=O)C1(C)CCCCCC1 ZINC001283617708 1145546232 /nfs/dbraw/zinc/54/62/32/1145546232.db2.gz KOTPQTPUDDOBSC-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2cn(C)nc2C)CC1 ZINC001283662948 1145567427 /nfs/dbraw/zinc/56/74/27/1145567427.db2.gz JTIXVYVEUWVUNP-CQSZACIVSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)N[C@@H](C)c2n[nH]c(C)n2)CC1 ZINC001283661941 1145567958 /nfs/dbraw/zinc/56/79/58/1145567958.db2.gz ANTFULDXQIRAIL-OLZOCXBDSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1cnc(C)nc1 ZINC001283664812 1145569909 /nfs/dbraw/zinc/56/99/09/1145569909.db2.gz FTTVJGUDKFQFFI-HIFRSBDPSA-N 0 3 304.438 2.324 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COc1ccc(Cl)cc1 ZINC001283704695 1145602017 /nfs/dbraw/zinc/60/20/17/1145602017.db2.gz JKGHEOKWEXKEFX-ZDUSSCGKSA-N 0 3 308.809 2.179 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CCc3cc(C)on3)CCC[C@H]12 ZINC001284068963 1145782790 /nfs/dbraw/zinc/78/27/90/1145782790.db2.gz PPHLKGAZMSSHLK-FUHWJXTLSA-N 0 3 315.417 2.052 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCc2ccnn2C)[C@H]1C ZINC001284129172 1145804597 /nfs/dbraw/zinc/80/45/97/1145804597.db2.gz GWUJRQGWEWPFFB-HOCLYGCPSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCc2nc(C(C)C)no2)[C@@H]1C ZINC001284131265 1145805242 /nfs/dbraw/zinc/80/52/42/1145805242.db2.gz PQBZIWIXYZIURG-KBPBESRZSA-N 0 3 320.437 2.281 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(CCn2cccn2)[C@@H]1C ZINC001284133087 1145805830 /nfs/dbraw/zinc/80/58/30/1145805830.db2.gz UENDCIRIKLZVCK-HZPDHXFCSA-N 0 3 304.438 2.209 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001284282436 1145830426 /nfs/dbraw/zinc/83/04/26/1145830426.db2.gz JBFOFTRTTIRBAV-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC001284313864 1145835268 /nfs/dbraw/zinc/83/52/68/1145835268.db2.gz TYSDPWWEXXKQLE-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN CCOC(=O)C[C@@H]1CCCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001365297226 1145841139 /nfs/dbraw/zinc/84/11/39/1145841139.db2.gz WMIFIQAVKGQMIG-JKSUJKDBSA-N 0 3 302.374 2.009 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)CN(CC)CC ZINC001284675679 1145888960 /nfs/dbraw/zinc/88/89/60/1145888960.db2.gz LULBTPJTIXXSGQ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@](C)(C=C)CCOC)CC1 ZINC001284694992 1145891607 /nfs/dbraw/zinc/89/16/07/1145891607.db2.gz PZUUKFYPGALPSH-CRAIPNDOSA-N 0 3 306.450 2.065 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001285197783 1146046627 /nfs/dbraw/zinc/04/66/27/1146046627.db2.gz SEFMUJDELNGPIB-RVKKMQEKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001285903468 1146353737 /nfs/dbraw/zinc/35/37/37/1146353737.db2.gz NXGPWRQJZQQSDB-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001287883531 1146739260 /nfs/dbraw/zinc/73/92/60/1146739260.db2.gz XBIINYFXYQNJMP-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)NCCC[C@H]1CCCN1CC#N ZINC001492171940 1147112282 /nfs/dbraw/zinc/11/22/82/1147112282.db2.gz TXEXLNNSLVROCA-IRXDYDNUSA-N 0 3 320.481 2.134 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1ccc(F)c(F)c1 ZINC001366267109 1147183323 /nfs/dbraw/zinc/18/33/23/1147183323.db2.gz IDJOQQXEOJQQHA-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC12CCC2)NCc1ccc(C#N)s1 ZINC001366353070 1147230006 /nfs/dbraw/zinc/23/00/06/1147230006.db2.gz YOURTTVCDRTECN-BXUZGUMPSA-N 0 3 303.431 2.404 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001317333117 1147350786 /nfs/dbraw/zinc/35/07/86/1147350786.db2.gz BOLRJBKLDDEODS-KGLIPLIRSA-N 0 3 319.453 2.223 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc2c1OCC2(C)C ZINC001316871500 1147565265 /nfs/dbraw/zinc/56/52/65/1147565265.db2.gz VYSWZLLFWJENLU-UHFFFAOYSA-N 0 3 314.429 2.432 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N(C)CC ZINC001316699219 1147565998 /nfs/dbraw/zinc/56/59/98/1147565998.db2.gz NKKYELOINWVXMF-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN CCC(=O)NCC[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC001366823852 1147581001 /nfs/dbraw/zinc/58/10/01/1147581001.db2.gz SBKCOOXYRHECCD-AWEZNQCLSA-N 0 3 315.417 2.305 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001316752728 1147594376 /nfs/dbraw/zinc/59/43/76/1147594376.db2.gz UURTZVRCSFKICV-SJORKVTESA-N 0 3 311.429 2.021 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001317048908 1147653004 /nfs/dbraw/zinc/65/30/04/1147653004.db2.gz FEHBTBCXTKAASB-CWRNSKLLSA-N 0 3 314.433 2.429 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001317064498 1147655274 /nfs/dbraw/zinc/65/52/74/1147655274.db2.gz ROFKCXHHEAGZAH-BXWFABGCSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccccc2-n2cccc2)C1 ZINC001317066033 1147655389 /nfs/dbraw/zinc/65/53/89/1147655389.db2.gz XOEYWNGPMPSOAG-INIZCTEOSA-N 0 3 307.397 2.305 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cccnc2)CCCC1 ZINC001367147683 1147656786 /nfs/dbraw/zinc/65/67/86/1147656786.db2.gz CVTQNHQFHSVKKI-UHFFFAOYSA-N 0 3 307.825 2.395 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@](C)(CNCc1ccccc1F)C1CC1 ZINC001367173295 1147660236 /nfs/dbraw/zinc/66/02/36/1147660236.db2.gz VBQDUXLXYXBQHA-SJKOYZFVSA-N 0 3 303.381 2.360 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@H]1C ZINC001367182727 1147661375 /nfs/dbraw/zinc/66/13/75/1147661375.db2.gz HRRJZMUKHKAXQJ-MLGOLLRUSA-N 0 3 324.856 2.359 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001317119085 1147662243 /nfs/dbraw/zinc/66/22/43/1147662243.db2.gz HWJGSFPKRHKXOH-HLLBOEOZSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cncc(C)c1 ZINC001317174878 1147671078 /nfs/dbraw/zinc/67/10/78/1147671078.db2.gz WNBBASXYQXIUFR-KRWDZBQOSA-N 0 3 301.434 2.479 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCOCC ZINC001317200003 1147675298 /nfs/dbraw/zinc/67/52/98/1147675298.db2.gz WTZNIYLDAXNABB-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001317204671 1147675971 /nfs/dbraw/zinc/67/59/71/1147675971.db2.gz CHIVYCDAOJNBMI-WMZOPIPTSA-N 0 3 314.429 2.167 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCc2cccnc2)C1 ZINC001317205586 1147676721 /nfs/dbraw/zinc/67/67/21/1147676721.db2.gz 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C=C1CC(C)(C(=O)NCCN(C[C@@H]2CC[C@H](C)O2)C2CC2)C1 ZINC001317556673 1147725039 /nfs/dbraw/zinc/72/50/39/1147725039.db2.gz LEXHOLFCKFIESA-HOCLYGCPSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c[nH]nc1C(C)(C)C)C1CC1 ZINC001317558031 1147725065 /nfs/dbraw/zinc/72/50/65/1147725065.db2.gz BOWWDQVJEXUOBE-UHFFFAOYSA-N 0 3 304.438 2.478 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)c1cc(Cl)no1 ZINC001317658633 1147740004 /nfs/dbraw/zinc/74/00/04/1147740004.db2.gz QSPHDUJMKASWRR-UHFFFAOYSA-N 0 3 318.764 2.061 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](NCC(=C)C)c1ccccc1 ZINC001317718921 1147747039 /nfs/dbraw/zinc/74/70/39/1147747039.db2.gz RIUXCXFSMKWHOM-FUHWJXTLSA-N 0 3 302.418 2.337 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)CC2CCCC2)C1 ZINC001317774245 1147751048 /nfs/dbraw/zinc/75/10/48/1147751048.db2.gz WSVWSDAZSNPFEW-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H]1CCN(Cc2cc(C)ncn2)C1 ZINC001317794355 1147753127 /nfs/dbraw/zinc/75/31/27/1147753127.db2.gz 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CC#CCN[C@@H](C)c1ccc(CNC(=O)Cn2cc(C)cn2)cc1 ZINC001326470185 1148109287 /nfs/dbraw/zinc/10/92/87/1148109287.db2.gz YOLSTPGSCSYRDY-INIZCTEOSA-N 0 3 324.428 2.182 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cnon1 ZINC001326496250 1148115091 /nfs/dbraw/zinc/11/50/91/1148115091.db2.gz XDIYKIOAQQNOMN-UHFFFAOYSA-N 0 3 300.362 2.008 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc3nccc(C)c3c2)CCC1 ZINC001326831115 1148264817 /nfs/dbraw/zinc/26/48/17/1148264817.db2.gz UTCQQQZIOKAGKY-UHFFFAOYSA-N 0 3 307.397 2.419 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@H](CNCc2cncs2)C1 ZINC001327033777 1148313440 /nfs/dbraw/zinc/31/34/40/1148313440.db2.gz HFRLGXYCGNQZMC-CYBMUJFWSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](N3CCN(CCC)CC3)C2)CCC1 ZINC001327093201 1148323905 /nfs/dbraw/zinc/32/39/05/1148323905.db2.gz BNWKNDNVQRWEOD-KRWDZBQOSA-N 0 3 319.493 2.361 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)CC1 ZINC001327125719 1148331767 /nfs/dbraw/zinc/33/17/67/1148331767.db2.gz LBLVHFYWTXSJLZ-GDBMZVCRSA-N 0 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ZINC000617079301 363017626 /nfs/dbraw/zinc/01/76/26/363017626.db2.gz XOVDFVAGUGALFT-ZBFHGGJFSA-N 0 3 320.458 2.177 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H]2OCCc3ccccc32)CC1 ZINC000172217622 198059325 /nfs/dbraw/zinc/05/93/25/198059325.db2.gz JGUILQJSKJAMAF-GOSISDBHSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000172621275 198126633 /nfs/dbraw/zinc/12/66/33/198126633.db2.gz SQZGZSFFWMZVLW-UHFFFAOYSA-N 0 3 312.410 2.145 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000329269586 539916932 /nfs/dbraw/zinc/91/69/32/539916932.db2.gz GWVOTOIYLHYQBT-HNNXBMFYSA-N 0 3 319.453 2.185 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)NCCN2CCCCCC2)CC1=O ZINC000328992352 539913051 /nfs/dbraw/zinc/91/30/51/539913051.db2.gz DMFBSYNMUFZJCF-AWEZNQCLSA-N 0 3 309.454 2.466 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc1F ZINC000331927613 234288158 /nfs/dbraw/zinc/28/81/58/234288158.db2.gz MJZMZMQTIJHXHZ-DJIMGWMZSA-N 0 3 304.365 2.059 20 30 DEEDHN CN(Cc1cccs1)C[C@H](O)COc1ccccc1C#N ZINC000035717382 354162777 /nfs/dbraw/zinc/16/27/77/354162777.db2.gz SGOWURJIGHZTIV-AWEZNQCLSA-N 0 3 302.399 2.491 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043239356 354216094 /nfs/dbraw/zinc/21/60/94/354216094.db2.gz QDGLANMPQZOANT-ZBFHGGJFSA-N 0 3 300.406 2.062 20 30 DEEDHN N#Cc1ccc(NCC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000618038280 363356431 /nfs/dbraw/zinc/35/64/31/363356431.db2.gz CVLXDKJOUPMYRV-QGZVFWFLSA-N 0 3 312.417 2.103 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000046528678 354286050 /nfs/dbraw/zinc/28/60/50/354286050.db2.gz UXVDTDXERPTHOV-GOSISDBHSA-N 0 3 321.380 2.302 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000046956592 354299123 /nfs/dbraw/zinc/29/91/23/354299123.db2.gz GOGSACUEWBHUEH-HNNXBMFYSA-N 0 3 315.417 2.174 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000068487295 354815873 /nfs/dbraw/zinc/81/58/73/354815873.db2.gz MUNBTDIFLYRGJC-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000618178225 363404929 /nfs/dbraw/zinc/40/49/29/363404929.db2.gz NGXBOQKMFZTKKQ-OAHLLOKOSA-N 0 3 321.446 2.019 20 30 DEEDHN CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000083690576 355469092 /nfs/dbraw/zinc/46/90/92/355469092.db2.gz GWHWORHBSNUYIJ-HNNXBMFYSA-N 0 3 320.458 2.320 20 30 DEEDHN CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)C#N)N(C)C)cc1 ZINC000182349351 356123087 /nfs/dbraw/zinc/12/30/87/356123087.db2.gz MLBZOFUPWMEUTP-XJKSGUPXSA-N 0 3 302.422 2.311 20 30 DEEDHN COC(=O)CCN(Cc1ccc(C#N)cc1C)C[C@H]1CCCO1 ZINC000323493977 356456390 /nfs/dbraw/zinc/45/63/90/356456390.db2.gz CEJBPHFTBDMPCT-QGZVFWFLSA-N 0 3 316.401 2.411 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccccc1C#N ZINC000324738257 356458113 /nfs/dbraw/zinc/45/81/13/356458113.db2.gz MDNUHOMUPOORRU-SFHVURJKSA-N 0 3 321.380 2.302 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638968 358508861 /nfs/dbraw/zinc/50/88/61/358508861.db2.gz QAXIMLGMCXARSI-ZDUSSCGKSA-N 0 3 321.377 2.446 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2ccccc2)cc1F ZINC000404109422 356731824 /nfs/dbraw/zinc/73/18/24/356731824.db2.gz DBLGDOZOMDDZNQ-KRWDZBQOSA-N 0 3 314.360 2.365 20 30 DEEDHN C[C@H]1CN(C(=O)NCc2ccc(C#N)s2)CCN(C2CC2)C1 ZINC000578126398 356765484 /nfs/dbraw/zinc/76/54/84/356765484.db2.gz XIDSCNGLXINULP-GFCCVEGCSA-N 0 3 318.446 2.245 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1cccc(C#N)n1 ZINC000580951159 357107074 /nfs/dbraw/zinc/10/70/74/357107074.db2.gz YFXICHHZCOQHAO-QWHCGFSZSA-N 0 3 301.394 2.195 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000580756094 357074878 /nfs/dbraw/zinc/07/48/78/357074878.db2.gz HISKYXUIFDKYLR-SJORKVTESA-N 0 3 315.417 2.005 20 30 DEEDHN CN(C[C@H](O)CNc1cccc(OCCCC#N)c1)C1CC1 ZINC000581812250 357249277 /nfs/dbraw/zinc/24/92/77/357249277.db2.gz PYCPEDLELVKSFI-MRXNPFEDSA-N 0 3 303.406 2.236 20 30 DEEDHN Cc1ccccc1CN1CCC(Nc2ccnc(C#N)n2)CC1 ZINC000581894894 357265166 /nfs/dbraw/zinc/26/51/66/357265166.db2.gz LASUYFBUGGNJHA-UHFFFAOYSA-N 0 3 307.401 2.155 20 30 DEEDHN N#Cc1ccc(CN2CCC[N@@H+](Cc3ncccc3[O-])CC2)cc1 ZINC000589158145 357448359 /nfs/dbraw/zinc/44/83/59/357448359.db2.gz JANWCQFCZCKPEM-UHFFFAOYSA-N 0 3 322.412 2.367 20 30 DEEDHN N#Cc1ccc(CN2CCC[N@H+](Cc3ncccc3[O-])CC2)cc1 ZINC000589158145 357448362 /nfs/dbraw/zinc/44/83/62/357448362.db2.gz JANWCQFCZCKPEM-UHFFFAOYSA-N 0 3 322.412 2.367 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(C#N)n1 ZINC000589332926 357464321 /nfs/dbraw/zinc/46/43/21/357464321.db2.gz NQVLRSNCQNHMAB-HZSPNIEDSA-N 0 3 300.406 2.049 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000590048290 357515196 /nfs/dbraw/zinc/51/51/96/357515196.db2.gz ROPHJMJFJKYSJY-GFCCVEGCSA-N 0 3 301.390 2.406 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000590210293 357526506 /nfs/dbraw/zinc/52/65/06/357526506.db2.gz OZRBEGGIWSWLEO-IRXDYDNUSA-N 0 3 304.365 2.107 20 30 DEEDHN CN(C)C1(CNc2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC000591370635 357715305 /nfs/dbraw/zinc/71/53/05/357715305.db2.gz OEIYATKLNPPFIZ-UHFFFAOYSA-N 0 3 302.328 2.313 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@H](O)C(F)(F)F ZINC000591785395 357760779 /nfs/dbraw/zinc/76/07/79/357760779.db2.gz MHSFIVXVJNKPII-DRZSPHRISA-N 0 3 314.307 2.187 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000591850285 357769116 /nfs/dbraw/zinc/76/91/16/357769116.db2.gz NFCRUEBSCOYDSF-UHFFFAOYSA-N 0 3 301.434 2.409 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000662078727 540325910 /nfs/dbraw/zinc/32/59/10/540325910.db2.gz FVYDZXYQWNNCEJ-VVLHAWIVSA-N 0 3 304.434 2.339 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCN1CCCCC1 ZINC000593112750 358013163 /nfs/dbraw/zinc/01/31/63/358013163.db2.gz JRUAIOLEMXZCAK-INIZCTEOSA-N 0 3 320.481 2.135 20 30 DEEDHN CCOC(=O)[C@]1(NC(=O)C(C#N)CC)CCc2ccccc21 ZINC000593470881 358085938 /nfs/dbraw/zinc/08/59/38/358085938.db2.gz NQATYDXUKWGIAJ-SJCJKPOMSA-N 0 3 300.358 2.057 20 30 DEEDHN CCC(C#N)C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000593688560 358123312 /nfs/dbraw/zinc/12/33/12/358123312.db2.gz FVLDUAORWZDRLM-YUELXQCFSA-N 0 3 302.374 2.073 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000593904869 358168818 /nfs/dbraw/zinc/16/88/18/358168818.db2.gz FTBLTDQNFATKRZ-ZDUSSCGKSA-N 0 3 321.380 2.245 20 30 DEEDHN Cc1cnc(OC2CCN(CCCSCC#N)CC2)nc1 ZINC000594020167 358190774 /nfs/dbraw/zinc/19/07/74/358190774.db2.gz CLLGQPKTTNOOJY-UHFFFAOYSA-N 0 3 306.435 2.275 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000594038072 358194030 /nfs/dbraw/zinc/19/40/30/358194030.db2.gz GWKDWVPREYDREK-KXBFYZLASA-N 0 3 311.429 2.291 20 30 DEEDHN CC1(C#N)CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000594283950 358238634 /nfs/dbraw/zinc/23/86/34/358238634.db2.gz OYXXNBPPGFKWAI-HUUCEWRRSA-N 0 3 304.438 2.339 20 30 DEEDHN COc1ccc(N2C[C@@H](NCc3ccc(C#N)cc3)CC2=O)cc1 ZINC000594967344 358371027 /nfs/dbraw/zinc/37/10/27/358371027.db2.gz WRICIUAVSLOCGV-INIZCTEOSA-N 0 3 321.380 2.462 20 30 DEEDHN C=CC[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595661350 358514934 /nfs/dbraw/zinc/51/49/34/358514934.db2.gz ZAFVGRPMHNTXMM-LBPRGKRZSA-N 0 3 303.362 2.482 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C)[C@H]1CCO ZINC000595704772 358529201 /nfs/dbraw/zinc/52/92/01/358529201.db2.gz VJBQJMMHGKBZAR-GOEBONIOSA-N 0 3 318.417 2.429 20 30 DEEDHN COc1ccc2ncc(C#N)c(N[C@H]3CCN(C4CC4)C3)c2c1 ZINC000596091071 358608632 /nfs/dbraw/zinc/60/86/32/358608632.db2.gz GYEWFGOJPCXKGF-ZDUSSCGKSA-N 0 3 308.385 2.186 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596116800 358614676 /nfs/dbraw/zinc/61/46/76/358614676.db2.gz XSWGTXCPSHZGMR-UHFFFAOYSA-N 0 3 318.377 2.146 20 30 DEEDHN Cc1ncc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1C ZINC000596982499 358799349 /nfs/dbraw/zinc/79/93/49/358799349.db2.gz CRIMSLKXSHMEJY-UHFFFAOYSA-N 0 3 323.444 2.308 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CCCCC1 ZINC000627268590 366495098 /nfs/dbraw/zinc/49/50/98/366495098.db2.gz FORLZJSPIJTDRQ-HZPDHXFCSA-N 0 3 306.450 2.181 20 30 DEEDHN CS[C@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@@H]1N(C)C ZINC000597444429 358918837 /nfs/dbraw/zinc/91/88/37/358918837.db2.gz ACSSSXPNGDPSRR-KBPBESRZSA-N 0 3 309.479 2.355 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@]1(C)CO ZINC000598443275 359200919 /nfs/dbraw/zinc/20/09/19/359200919.db2.gz WPGRYFKLARLTDK-QGPMSJSTSA-N 0 3 300.402 2.236 20 30 DEEDHN COc1cccc([C@@H]2C[C@@H](O)CN2C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598619950 359262717 /nfs/dbraw/zinc/26/27/17/359262717.db2.gz QJMWGVLKLSKEFA-VYDXJSESSA-N 0 3 318.417 2.104 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000427922206 237040141 /nfs/dbraw/zinc/04/01/41/237040141.db2.gz IMMUAHYLOJIVFG-NSHDSACASA-N 0 3 306.797 2.068 20 30 DEEDHN CCn1ccc(CN(C)C[C@H](O)COc2ccccc2C#N)c1 ZINC000599387035 359486312 /nfs/dbraw/zinc/48/63/12/359486312.db2.gz SCCNGIDUCAJOBS-KRWDZBQOSA-N 0 3 313.401 2.251 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](NCCOc1cccc(C#N)c1)C(N)=O ZINC000428849985 237263578 /nfs/dbraw/zinc/26/35/78/237263578.db2.gz KPCZTURQLHOFIV-KDOFPFPSSA-N 0 3 323.396 2.184 20 30 DEEDHN COc1cccc([C@H](CNc2nc(C)cc(C#N)n2)N(C)C)c1 ZINC000281063502 216054764 /nfs/dbraw/zinc/05/47/64/216054764.db2.gz ZFQAISIUUNJAKR-INIZCTEOSA-N 0 3 311.389 2.380 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(OC)CCC(F)(F)CC2)CC1 ZINC000668369930 540655861 /nfs/dbraw/zinc/65/58/61/540655861.db2.gz INQNTKZZCBQCGB-UHFFFAOYSA-N 0 3 316.392 2.348 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC000668369785 540656180 /nfs/dbraw/zinc/65/61/80/540656180.db2.gz FDCUVJOHLVNATE-HNNXBMFYSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCN1CCC(NC(=O)c2nc3cnccc3s2)CC1 ZINC000668369159 540655339 /nfs/dbraw/zinc/65/53/39/540655339.db2.gz PCHCGBXCMQRZEC-UHFFFAOYSA-N 0 3 302.403 2.072 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(C(F)(F)F)CCOCC2)CC1 ZINC000668369157 540655417 /nfs/dbraw/zinc/65/54/17/540655417.db2.gz PBTDHYPTQLCIOU-UHFFFAOYSA-N 0 3 320.355 2.112 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccc2c(c1)COC2 ZINC000600729744 359813495 /nfs/dbraw/zinc/81/34/95/359813495.db2.gz XORIAYUNDXYFBS-GOSISDBHSA-N 0 3 324.380 2.118 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(N3CCSCC3)c2)C1 ZINC000601302643 359999704 /nfs/dbraw/zinc/99/97/04/359999704.db2.gz UCOBKCCZWYUZIL-UKRRQHHQSA-N 0 3 302.447 2.417 20 30 DEEDHN Cc1ncc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000601967617 360213187 /nfs/dbraw/zinc/21/31/87/360213187.db2.gz IJBDTVHUJXYIQA-FZMZJTMJSA-N 0 3 317.414 2.414 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(CC)cn1)C(C)C ZINC000668682416 540709348 /nfs/dbraw/zinc/70/93/48/540709348.db2.gz GFZZBVBAHBWJOS-MRXNPFEDSA-N 0 3 304.438 2.331 20 30 DEEDHN N#Cc1cccc(CNc2cccc(CN3CC[C@H](O)C3)c2)n1 ZINC000602678803 360493702 /nfs/dbraw/zinc/49/37/02/360493702.db2.gz ZGOQECFBNFHTNY-SFHVURJKSA-N 0 3 308.385 2.132 20 30 DEEDHN C=CCCn1cc(CNC2CCC(C(=O)OCC)CC2)nn1 ZINC000602751851 360537380 /nfs/dbraw/zinc/53/73/80/360537380.db2.gz LOYSGINLPQHTDU-UHFFFAOYSA-N 0 3 306.410 2.066 20 30 DEEDHN Cc1cc(CNCCC(=O)NCc2cccnc2)ccc1C#N ZINC000443957384 238131302 /nfs/dbraw/zinc/13/13/02/238131302.db2.gz IXEPDTPTLYWHRZ-UHFFFAOYSA-N 0 3 308.385 2.058 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604011251 360879553 /nfs/dbraw/zinc/87/95/53/360879553.db2.gz XNPDPGRSRXSFRI-KRWDZBQOSA-N 0 3 302.418 2.360 20 30 DEEDHN C[C@@](CO)(NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000609483877 361314516 /nfs/dbraw/zinc/31/45/16/361314516.db2.gz NMFBKALXWPLAPH-IBGZPJMESA-N 0 3 323.396 2.384 20 30 DEEDHN C[C@](CO)(NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000609483878 361314746 /nfs/dbraw/zinc/31/47/46/361314746.db2.gz NMFBKALXWPLAPH-LJQANCHMSA-N 0 3 323.396 2.384 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)S1 ZINC000610336809 361386061 /nfs/dbraw/zinc/38/60/61/361386061.db2.gz DKXBNOGQPFIMDN-FMKPAKJESA-N 0 3 320.458 2.318 20 30 DEEDHN CCN(CCNC(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000610350668 361388703 /nfs/dbraw/zinc/38/87/03/361388703.db2.gz USIKVQNKKQLDOC-CYBMUJFWSA-N 0 3 300.406 2.403 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000610404757 361394944 /nfs/dbraw/zinc/39/49/44/361394944.db2.gz ZMHLLVCXDQYWJE-HEHGZKQESA-N 0 3 300.406 2.401 20 30 DEEDHN Cc1nn(-c2ccccc2)c(CN2CCCN(C)CC2)c1C#N ZINC000610664895 361439103 /nfs/dbraw/zinc/43/91/03/361439103.db2.gz MNDNBBVYLDBFHR-UHFFFAOYSA-N 0 3 309.417 2.190 20 30 DEEDHN COc1ccc([C@@H](C)NC2CCN(CC#N)CC2)c(OC)c1 ZINC000610813254 361471388 /nfs/dbraw/zinc/47/13/88/361471388.db2.gz BCBHWWKRTHDXFE-CYBMUJFWSA-N 0 3 303.406 2.342 20 30 DEEDHN CN(CCOC(C)(C)C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000610859762 361479294 /nfs/dbraw/zinc/47/92/94/361479294.db2.gz LLPVCQXQEPWQIE-OAHLLOKOSA-N 0 3 306.406 2.045 20 30 DEEDHN N#CCN1CCC(NCc2cc(O)ccc2Br)CC1 ZINC000610898910 361490449 /nfs/dbraw/zinc/49/04/49/361490449.db2.gz XBHBETUHKYDXOI-UHFFFAOYSA-N 0 3 324.222 2.232 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000611205185 361548569 /nfs/dbraw/zinc/54/85/69/361548569.db2.gz LVNYBUAHJWGOKQ-JSGCOSHPSA-N 0 3 319.430 2.083 20 30 DEEDHN Cc1ccncc1[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000611939164 361708396 /nfs/dbraw/zinc/70/83/96/361708396.db2.gz OPQHDGNAEVKETC-GOEBONIOSA-N 0 3 311.385 2.352 20 30 DEEDHN N#CCc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000612059098 361733787 /nfs/dbraw/zinc/73/37/87/361733787.db2.gz NKDJPSMYQJGVMD-IBGZPJMESA-N 0 3 313.445 2.439 20 30 DEEDHN Cn1cc(CCCN2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC000619722971 363865764 /nfs/dbraw/zinc/86/57/64/363865764.db2.gz QBEFRKTUYRXNQK-UHFFFAOYSA-N 0 3 309.417 2.305 20 30 DEEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000675488803 541345975 /nfs/dbraw/zinc/34/59/75/541345975.db2.gz YVSSQDGHHZEDOW-QGZVFWFLSA-N 0 3 302.418 2.338 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC000623192238 364912861 /nfs/dbraw/zinc/91/28/61/364912861.db2.gz NTNUFETZZKNTPR-XJKSGUPXSA-N 0 3 316.449 2.232 20 30 DEEDHN Cn1cc(CN2CCC[C@H](O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000293037095 223363555 /nfs/dbraw/zinc/36/35/55/223363555.db2.gz GRYSOLKBDOEHRO-KRWDZBQOSA-N 0 3 310.401 2.306 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)c1cnn(CCN(C)C)c1 ZINC000630719611 367811640 /nfs/dbraw/zinc/81/16/40/367811640.db2.gz QQITZMQGUHVALB-UHFFFAOYSA-N 0 3 312.417 2.273 20 30 DEEDHN C=CC[NH+]1CCC(NC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000630941478 367924880 /nfs/dbraw/zinc/92/48/80/367924880.db2.gz DLCPIIFKFWWTIJ-UHFFFAOYSA-N 0 3 308.809 2.355 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000630944594 367925340 /nfs/dbraw/zinc/92/53/40/367925340.db2.gz VYPSHTGNQGLTIP-UHFFFAOYSA-N 0 3 324.428 2.181 20 30 DEEDHN CCO[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000451520815 243055693 /nfs/dbraw/zinc/05/56/93/243055693.db2.gz BXUCNZXNOZLMBN-YXJHDRRASA-N 0 3 318.417 2.045 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000451599496 243183233 /nfs/dbraw/zinc/18/32/33/243183233.db2.gz OFMNFGXCZDNNBA-CFVMTHIKSA-N 0 3 304.390 2.345 20 30 DEEDHN CCC[C@]1(CO)CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331285204 284070184 /nfs/dbraw/zinc/07/01/84/284070184.db2.gz GJBSQJAUJSNLLG-GOSISDBHSA-N 0 3 321.465 2.298 20 30 DEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000678745848 541760703 /nfs/dbraw/zinc/76/07/03/541760703.db2.gz NWUYIDXFZRTEMQ-HIFRSBDPSA-N 0 3 309.406 2.308 20 30 DEEDHN C#CCN(CC#C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093475507 193256963 /nfs/dbraw/zinc/25/69/63/193256963.db2.gz AYOQMMXVJSESNH-UHFFFAOYSA-N 0 3 309.457 2.285 20 30 DEEDHN C=C(C)COc1cc(CN(C)CC(C)(CO)CO)ccc1OC ZINC000093502927 193259254 /nfs/dbraw/zinc/25/92/54/193259254.db2.gz GVPDUFPKCALLOI-UHFFFAOYSA-N 0 3 323.433 2.073 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)cc1 ZINC000274961520 212044298 /nfs/dbraw/zinc/04/42/98/212044298.db2.gz UQFAHZJHEVOYMW-FGTMMUONSA-N 0 3 303.402 2.371 20 30 DEEDHN C=CCOCCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000679487002 541861536 /nfs/dbraw/zinc/86/15/36/541861536.db2.gz VQSMSYLPUUJWNZ-UHFFFAOYSA-N 0 3 323.868 2.384 20 30 DEEDHN C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](C)[N-]C(=O)C(C)(F)F ZINC001422292903 1172460714 /nfs/dbraw/zinc/46/07/14/1172460714.db2.gz GJBAOOVHLSCLOB-BDAKNGLRSA-N 0 3 301.362 2.258 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000135178511 335024571 /nfs/dbraw/zinc/02/45/71/335024571.db2.gz AEEAWCVDMXBUKT-PKOBYXMFSA-N 0 3 316.445 2.124 20 30 DEEDHN C=CCC1(NC(=O)N[C@@H]2CCN(CCOC)C2)CCCCC1 ZINC000458442446 248312739 /nfs/dbraw/zinc/31/27/39/248312739.db2.gz SOXHJRQFKQSMSE-OAHLLOKOSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000458335997 248266328 /nfs/dbraw/zinc/26/63/28/248266328.db2.gz OWDXKBNHYYWXOK-GOSISDBHSA-N 0 3 323.481 2.077 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OCCC)cc2)CC1 ZINC000491105452 248900878 /nfs/dbraw/zinc/90/08/78/248900878.db2.gz VVBJEEBQSGVICI-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN C#CCNC(=O)C1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000491263549 248914786 /nfs/dbraw/zinc/91/47/86/248914786.db2.gz ASRSZADATPQFAX-ONEGZZNKSA-N 0 3 318.367 2.439 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2cccc(CO)c2)CC1 ZINC000492131582 249004125 /nfs/dbraw/zinc/00/41/25/249004125.db2.gz LBSOYILHWFGAGK-SREVYHEPSA-N 0 3 314.429 2.349 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3nccnc3c2)CC1 ZINC000106040318 194181585 /nfs/dbraw/zinc/18/15/85/194181585.db2.gz MZBXWLDSRHTNIU-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCOc1cccc(CN2CCN(CCO)C(C)(C)C2)c1 ZINC000682165992 542273558 /nfs/dbraw/zinc/27/35/58/542273558.db2.gz DHGRLYYRVXBHNN-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN CCN1CCN(CCCNc2ncc(Cl)c(C)c2C#N)CC1 ZINC000273417071 210756832 /nfs/dbraw/zinc/75/68/32/210756832.db2.gz YLWOPDYDVMDTQP-UHFFFAOYSA-N 0 3 321.856 2.355 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362146839 285036443 /nfs/dbraw/zinc/03/64/43/285036443.db2.gz CTEYLXSYMKFNIZ-BZUAXINKSA-N 0 3 309.454 2.132 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 ZINC000270048734 208105057 /nfs/dbraw/zinc/10/50/57/208105057.db2.gz LQPUYTZSARNIDQ-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=CCCOCCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000270182263 208245203 /nfs/dbraw/zinc/24/52/03/208245203.db2.gz BURYYQVINKXKPX-UHFFFAOYSA-N 0 3 323.437 2.254 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(Cl)nc2)CC1 ZINC000492286549 533045954 /nfs/dbraw/zinc/04/59/54/533045954.db2.gz IUFMBUFXTVDCGO-ALCCZGGFSA-N 0 3 317.820 2.352 20 30 DEEDHN Cc1cccc(S(=O)(=O)NCCN(C)C2CCCC2)c1C#N ZINC000157274855 197174968 /nfs/dbraw/zinc/17/49/68/197174968.db2.gz QHELGDNDHIPVRU-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C[C@H]1CN(c2cccc(Cl)c2C#N)CCN1CC(C)(C)O ZINC000294835050 224253307 /nfs/dbraw/zinc/25/33/07/224253307.db2.gz AVZLUPYNRHYLQQ-LBPRGKRZSA-N 0 3 307.825 2.493 20 30 DEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)[C@@H]1OCCc2sccc21 ZINC000292297295 533369886 /nfs/dbraw/zinc/36/98/86/533369886.db2.gz CWEDJGWIFPJBTN-WBMJQRKESA-N 0 3 321.446 2.102 20 30 DEEDHN CS(=O)(=O)c1ccc(OCCN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000447529798 533452154 /nfs/dbraw/zinc/45/21/54/533452154.db2.gz MRVUKNLAGUGCON-KBPBESRZSA-N 0 3 322.430 2.141 20 30 DEEDHN CCN1CCC(NC(=O)CSc2ccccc2C#N)CC1 ZINC000357487400 133080652 /nfs/dbraw/zinc/08/06/52/133080652.db2.gz OUZOCYMUUGEETM-UHFFFAOYSA-N 0 3 303.431 2.251 20 30 DEEDHN CS(=O)(=O)CCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360658616 133193375 /nfs/dbraw/zinc/19/33/75/133193375.db2.gz UGPBANAROCTDQA-INIZCTEOSA-N 0 3 306.431 2.350 20 30 DEEDHN N#Cc1cnc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000368130722 133261891 /nfs/dbraw/zinc/26/18/91/133261891.db2.gz FPGIPHYWJUEJBI-SJORKVTESA-N 0 3 319.412 2.307 20 30 DEEDHN N#Cc1nccnc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000376195871 133286066 /nfs/dbraw/zinc/28/60/66/133286066.db2.gz DNVQDPIODXQYMU-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN CC[C@@H](C)C[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000562996598 292022941 /nfs/dbraw/zinc/02/29/41/292022941.db2.gz RCNULTHZGNTOKC-OLZOCXBDSA-N 0 3 309.435 2.141 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000372695845 133362349 /nfs/dbraw/zinc/36/23/49/133362349.db2.gz NXLPRPWZVAIZMB-ZWKOTPCHSA-N 0 3 317.408 2.430 20 30 DEEDHN CS[C@@H]1CCCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000372730259 133363764 /nfs/dbraw/zinc/36/37/64/133363764.db2.gz OSEAEKNDBUWSNQ-MRXNPFEDSA-N 0 3 317.458 2.392 20 30 DEEDHN CO[C@@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000451623039 285682709 /nfs/dbraw/zinc/68/27/09/285682709.db2.gz JHSIQKMZJIFNCV-HZPDHXFCSA-N 0 3 301.390 2.090 20 30 DEEDHN C[C@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C1=CCN(C)CC1 ZINC000329856588 404472997 /nfs/dbraw/zinc/47/29/97/404472997.db2.gz YHFXRCQRSNXVQD-GXTWGEPZSA-N 0 3 302.422 2.447 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)s1 ZINC000329863273 404474473 /nfs/dbraw/zinc/47/44/73/404474473.db2.gz ZALSEEPEMGHQBQ-ATZCPNFKSA-N 0 3 309.439 2.036 20 30 DEEDHN Cc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1C#N ZINC000564710194 292105966 /nfs/dbraw/zinc/10/59/66/292105966.db2.gz ALBAECMYMOAVLV-SUYBPPKGSA-N 0 3 312.417 2.064 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000564868888 292116668 /nfs/dbraw/zinc/11/66/68/292116668.db2.gz KCPUNEZKBAUNKK-ZBQZNYHESA-N 0 3 324.380 2.410 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000249048619 145177136 /nfs/dbraw/zinc/17/71/36/145177136.db2.gz HUVJSGJMUGNUAA-CZUORRHYSA-N 0 3 302.374 2.068 20 30 DEEDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1F ZINC000341907634 145522108 /nfs/dbraw/zinc/52/21/08/145522108.db2.gz YHVJNZRUEAGVEE-AAEUAGOBSA-N 0 3 310.394 2.173 20 30 DEEDHN Cc1oc(NC(=O)CN[C@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348145351 146223665 /nfs/dbraw/zinc/22/36/65/146223665.db2.gz KZSWGGWSHUJBNG-YPMHNXCESA-N 0 3 305.378 2.111 20 30 DEEDHN Cc1oc([N-]C(=O)C[NH2+][C@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348145351 146223666 /nfs/dbraw/zinc/22/36/66/146223666.db2.gz KZSWGGWSHUJBNG-YPMHNXCESA-N 0 3 305.378 2.111 20 30 DEEDHN C[C@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1(F)F ZINC000359305830 147303625 /nfs/dbraw/zinc/30/36/25/147303625.db2.gz ZMNSLXLALXSNLY-SWLSCSKDSA-N 0 3 321.371 2.350 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000374628506 148269944 /nfs/dbraw/zinc/26/99/44/148269944.db2.gz ZEYLAGDVDATVII-QZTJIDSGSA-N 0 3 300.402 2.340 20 30 DEEDHN CC1(NCc2cnc3c(C#N)cnn3c2)Cc2ccccc2C1 ZINC000565950597 292192997 /nfs/dbraw/zinc/19/29/97/292192997.db2.gz JFGHOJBRLOIMKM-UHFFFAOYSA-N 0 3 303.369 2.248 20 30 DEEDHN CCN(CC)CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000127639432 401743373 /nfs/dbraw/zinc/74/33/73/401743373.db2.gz SWHJKHPFRWBLOW-CYBMUJFWSA-N 0 3 324.222 2.472 20 30 DEEDHN N#CCSCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000027936524 401848890 /nfs/dbraw/zinc/84/88/90/401848890.db2.gz WILNOIGNWFVWHP-UHFFFAOYSA-N 0 3 317.458 2.066 20 30 DEEDHN N#Cc1cc(F)c(C(=O)NCCN2CCCCCC2)c(F)c1 ZINC000119106181 401926352 /nfs/dbraw/zinc/92/63/52/401926352.db2.gz ZOJGQRNGDDHWPF-UHFFFAOYSA-N 0 3 307.344 2.442 20 30 DEEDHN OCCCCCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000134573838 401906750 /nfs/dbraw/zinc/90/67/50/401906750.db2.gz DJULFAFVZYFFNJ-OBGWFSINSA-N 0 3 306.406 2.426 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)COc2ccccc2C#N)c1 ZINC000043966572 401940278 /nfs/dbraw/zinc/94/02/78/401940278.db2.gz DGVBLEYSQDZJAY-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000119366692 401945223 /nfs/dbraw/zinc/94/52/23/401945223.db2.gz RZWLCKXBYAKFKC-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000122348374 402073636 /nfs/dbraw/zinc/07/36/36/402073636.db2.gz NNFCPJZQSHOWFB-UHFFFAOYSA-N 0 3 305.309 2.018 20 30 DEEDHN COCCCOC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000122440162 402078415 /nfs/dbraw/zinc/07/84/15/402078415.db2.gz XELYDIDSBUDALM-UHFFFAOYSA-N 0 3 318.417 2.455 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C#N)ccc2OCC)CC1 ZINC000067233855 402155243 /nfs/dbraw/zinc/15/52/43/402155243.db2.gz ZFKWQQVZFZMLSP-UHFFFAOYSA-N 0 3 311.385 2.241 20 30 DEEDHN CN(CCC#N)c1ccc(CN(C)[C@@H]2CCCCNC2=O)cc1 ZINC000123944769 402155501 /nfs/dbraw/zinc/15/55/01/402155501.db2.gz SBJAWLNOPRFDMK-QGZVFWFLSA-N 0 3 314.433 2.137 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCCN1CC ZINC000124640719 402189658 /nfs/dbraw/zinc/18/96/58/402189658.db2.gz ZGYXILBQVGLJRP-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN CCN(CCNC(=O)N(C)Cc1cccc(C#N)c1)C1CC1 ZINC000102066674 402162731 /nfs/dbraw/zinc/16/27/31/402162731.db2.gz LGWDRAHFZNBKGJ-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@H](CNC(C)=O)C1 ZINC000155637802 402263732 /nfs/dbraw/zinc/26/37/32/402263732.db2.gz BLWAEDKWPOLDEE-MRXNPFEDSA-N 0 3 300.402 2.047 20 30 DEEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccccn1 ZINC000156313353 402279459 /nfs/dbraw/zinc/27/94/59/402279459.db2.gz LOOXCJRKYJCOSC-HNNXBMFYSA-N 0 3 305.337 2.464 20 30 DEEDHN CCOCCO[C@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000157841862 402298491 /nfs/dbraw/zinc/29/84/91/402298491.db2.gz DPZWMIOZTAOGIL-SFHVURJKSA-N 0 3 318.417 2.455 20 30 DEEDHN Cc1nc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)ccc1C#N ZINC000177292240 402387908 /nfs/dbraw/zinc/38/79/08/402387908.db2.gz ZZAGPSGMBGOODZ-DAYGRLMNSA-N 0 3 324.428 2.208 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185628649 402365958 /nfs/dbraw/zinc/36/59/58/402365958.db2.gz JQJYRQGDDRMTQK-MRXNPFEDSA-N 0 3 324.513 2.447 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161404844 402386594 /nfs/dbraw/zinc/38/65/94/402386594.db2.gz UFILKYUALAQQSZ-MRXNPFEDSA-N 0 3 307.401 2.476 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCN3CCCC[C@@H]3C2)c1 ZINC000177754547 402432571 /nfs/dbraw/zinc/43/25/71/402432571.db2.gz ACQYWWORGSCFMP-QGZVFWFLSA-N 0 3 312.417 2.057 20 30 DEEDHN CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000186464612 402433370 /nfs/dbraw/zinc/43/33/70/402433370.db2.gz FUAIFLGUJHLGKN-DZGCQCFKSA-N 0 3 317.389 2.470 20 30 DEEDHN CN(CCN(C)C1CC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000186731526 402460784 /nfs/dbraw/zinc/46/07/84/402460784.db2.gz LLGTVHCXJZFRGB-UHFFFAOYSA-N 0 3 320.824 2.176 20 30 DEEDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1ccccc1C#N ZINC000186768273 402463178 /nfs/dbraw/zinc/46/31/78/402463178.db2.gz RXDUMOIHGCAMFM-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000247421016 402566805 /nfs/dbraw/zinc/56/68/05/402566805.db2.gz YZNOMBANOBWJSV-HOTGVXAUSA-N 0 3 315.461 2.375 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000190016220 402570380 /nfs/dbraw/zinc/57/03/80/402570380.db2.gz GPGSDTXWBNSZPN-RDJZCZTQSA-N 0 3 306.381 2.353 20 30 DEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000246337299 402525930 /nfs/dbraw/zinc/52/59/30/402525930.db2.gz UCNCHFURNRQGRV-FUHWJXTLSA-N 0 3 310.401 2.335 20 30 DEEDHN C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)[C@H]2CCCC[C@@H]12 ZINC000248438042 402590576 /nfs/dbraw/zinc/59/05/76/402590576.db2.gz SUKQKWNNOBTQCV-PMPSAXMXSA-N 0 3 302.422 2.153 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000180844717 402627530 /nfs/dbraw/zinc/62/75/30/402627530.db2.gz KJZLFJKYUYRKLY-MSOLQXFVSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2COC)CC1 ZINC000171710883 402613403 /nfs/dbraw/zinc/61/34/03/402613403.db2.gz IDUZLCOGWUQXAS-UHFFFAOYSA-N 0 3 317.433 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000171719937 402614227 /nfs/dbraw/zinc/61/42/27/402614227.db2.gz ZJTZDMKWLONHFY-UHFFFAOYSA-N 0 3 311.476 2.423 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)n2cnc3ccccc32)CC1 ZINC000171719081 402614433 /nfs/dbraw/zinc/61/44/33/402614433.db2.gz WVAULOPTPQAVBQ-CQSZACIVSA-N 0 3 312.417 2.364 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000171728115 402615715 /nfs/dbraw/zinc/61/57/15/402615715.db2.gz ONDNBILGSOTJNZ-HNNXBMFYSA-N 0 3 304.438 2.218 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc(C)cs2)CC1 ZINC000171733199 402616320 /nfs/dbraw/zinc/61/63/20/402616320.db2.gz QOPYFYIXZJUHIJ-GFCCVEGCSA-N 0 3 308.451 2.462 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H](CCO)C1CCCCC1 ZINC000181493338 402647037 /nfs/dbraw/zinc/64/70/37/402647037.db2.gz BVNCFASLBHGOPZ-AWEZNQCLSA-N 0 3 321.446 2.479 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1C#N ZINC000191195661 402649984 /nfs/dbraw/zinc/64/99/84/402649984.db2.gz BLIZQVUFEAWYIX-OAHLLOKOSA-N 0 3 320.400 2.319 20 30 DEEDHN CO[C@H](C)CON=C(N)c1ccccc1CN1CCCCC1 ZINC000181607894 402651756 /nfs/dbraw/zinc/65/17/56/402651756.db2.gz GRDXMMMIXRYHJG-CQSZACIVSA-N 0 3 305.422 2.344 20 30 DEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000181663670 402653269 /nfs/dbraw/zinc/65/32/69/402653269.db2.gz TXBJKBIBGGOUSI-WFASDCNBSA-N 0 3 311.389 2.155 20 30 DEEDHN COc1ccc(CN[C@H]2CCC[C@@H]2O)cc1OCCCC#N ZINC000172633320 402667537 /nfs/dbraw/zinc/66/75/37/402667537.db2.gz RNGWNZCMEKOPOL-GJZGRUSLSA-N 0 3 304.390 2.381 20 30 DEEDHN CC#CCN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000172738460 402672716 /nfs/dbraw/zinc/67/27/16/402672716.db2.gz CWHCFBSYVDSRFG-UHFFFAOYSA-N 0 3 300.358 2.089 20 30 DEEDHN CCN(CCNC(=O)/C=C\c1ccc(OCC#N)cc1)C1CC1 ZINC000255252782 402681965 /nfs/dbraw/zinc/68/19/65/402681965.db2.gz WNFYLNULLZKTLH-YHYXMXQVSA-N 0 3 313.401 2.203 20 30 DEEDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1 ZINC000182342178 402682559 /nfs/dbraw/zinc/68/25/59/402682559.db2.gz ITRSUFNQNFJTRH-XJKSGUPXSA-N 0 3 302.374 2.131 20 30 DEEDHN CC(C)N(CCN1CCO[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC000192727348 402746834 /nfs/dbraw/zinc/74/68/34/402746834.db2.gz XUONIJOAPWJHMX-INIZCTEOSA-N 0 3 301.434 2.489 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cnc2OC)CC1 ZINC000174966753 402767510 /nfs/dbraw/zinc/76/75/10/402767510.db2.gz SIEGERRLPVHHPB-UHFFFAOYSA-N 0 3 304.394 2.171 20 30 DEEDHN CCN(CCNC(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000263742646 402798131 /nfs/dbraw/zinc/79/81/31/402798131.db2.gz OOQTYOYNGXSGGC-ZDUSSCGKSA-N 0 3 300.406 2.403 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H](Cc1ccccc1)N(CC)CC ZINC000184373693 402838958 /nfs/dbraw/zinc/83/89/58/402838958.db2.gz LOECOSNOKLEJNC-QGZVFWFLSA-N 0 3 324.490 2.435 20 30 DEEDHN N#Cc1ccnc(N2CCN(CCCCCn3cccn3)CC2)c1 ZINC000264198831 402856727 /nfs/dbraw/zinc/85/67/27/402856727.db2.gz PCOVIEZKWJXQGZ-UHFFFAOYSA-N 0 3 324.432 2.142 20 30 DEEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 ZINC000278534090 402867500 /nfs/dbraw/zinc/86/75/00/402867500.db2.gz FNKBBCFRPZIKSR-ZLDLUXBVSA-N 0 3 307.419 2.067 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000264485969 402883302 /nfs/dbraw/zinc/88/33/02/402883302.db2.gz RKVCMCDWNAXBRC-VXGBXAGGSA-N 0 3 303.366 2.394 20 30 DEEDHN N#C[C@H]1CSCCN1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000271726886 402883431 /nfs/dbraw/zinc/88/34/31/402883431.db2.gz MTQOIVYPBQNNPZ-INIZCTEOSA-N 0 3 315.442 2.364 20 30 DEEDHN C[C@H](NCCCC#N)c1cccc(N2CCCS2(=O)=O)c1 ZINC000271732622 402883516 /nfs/dbraw/zinc/88/35/16/402883516.db2.gz YZJXXQAKMCGSDY-ZDUSSCGKSA-N 0 3 307.419 2.181 20 30 DEEDHN CC(C)N1C[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)CC1=O ZINC000271901730 402885298 /nfs/dbraw/zinc/88/52/98/402885298.db2.gz VSTIPURCXTUHHO-HIFRSBDPSA-N 0 3 301.390 2.249 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC2(CCOCC2)C1 ZINC000266016005 402965996 /nfs/dbraw/zinc/96/59/96/402965996.db2.gz NHQFTSWLTPQRJT-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000280113962 402967531 /nfs/dbraw/zinc/96/75/31/402967531.db2.gz UCGJWPRSACUCRX-IRXDYDNUSA-N 0 3 311.385 2.316 20 30 DEEDHN C#CC(C)(C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000266814643 402993813 /nfs/dbraw/zinc/99/38/13/402993813.db2.gz GRIGLNITWFCUBE-UHFFFAOYSA-N 0 3 313.445 2.035 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(C)(C)O ZINC000267133858 403018146 /nfs/dbraw/zinc/01/81/46/403018146.db2.gz FJKZUFXBKSVYLZ-ZDUSSCGKSA-N 0 3 310.463 2.354 20 30 DEEDHN CN(CCOc1cccc(C#N)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280654713 403024022 /nfs/dbraw/zinc/02/40/22/403024022.db2.gz ZLJNAZQUEYWKAJ-SFHVURJKSA-N 0 3 323.396 2.486 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000273961098 403029072 /nfs/dbraw/zinc/02/90/72/403029072.db2.gz GNGXYUNREXPLKG-NTZNESFSSA-N 0 3 305.378 2.110 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000273961098 403029073 /nfs/dbraw/zinc/02/90/73/403029073.db2.gz GNGXYUNREXPLKG-NTZNESFSSA-N 0 3 305.378 2.110 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280304261 402985922 /nfs/dbraw/zinc/98/59/22/402985922.db2.gz NALCBNRVVCULRV-QZTJIDSGSA-N 0 3 324.428 2.230 20 30 DEEDHN CN(C[C@@H]1CCCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280874317 403045588 /nfs/dbraw/zinc/04/55/88/403045588.db2.gz LNSOWLJVINFVJX-IRXDYDNUSA-N 0 3 311.385 2.126 20 30 DEEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000268209595 403062263 /nfs/dbraw/zinc/06/22/63/403062263.db2.gz OQLMYXMMUVMNAF-MRXNPFEDSA-N 0 3 307.482 2.145 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)NCCCC#N)c2)CC1 ZINC000274822388 403091306 /nfs/dbraw/zinc/09/13/06/403091306.db2.gz OVKXIJKXYQSDQD-UHFFFAOYSA-N 0 3 315.421 2.254 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000274873982 403096730 /nfs/dbraw/zinc/09/67/30/403096730.db2.gz UGUNZNKXGFEARI-GOEBONIOSA-N 0 3 313.401 2.257 20 30 DEEDHN CCCN(CCNC(=O)NC(C)C)Cc1ccc(C#N)cc1 ZINC000566675956 292260525 /nfs/dbraw/zinc/26/05/25/292260525.db2.gz KFOMRBHJYYMJPO-UHFFFAOYSA-N 0 3 302.422 2.478 20 30 DEEDHN C=CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1C)C1CC1 ZINC000276047684 403142013 /nfs/dbraw/zinc/14/20/13/403142013.db2.gz JVJNTDSTFJYFGO-UHFFFAOYSA-N 0 3 315.417 2.172 20 30 DEEDHN C=C(C)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277395564 403213264 /nfs/dbraw/zinc/21/32/64/403213264.db2.gz FBCGIEMEFZPOBS-KRWDZBQOSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCNC(=O)c1ccc(NC[C@H]2CCCCN2C2CC2)nc1 ZINC000277516939 403226017 /nfs/dbraw/zinc/22/60/17/403226017.db2.gz UTYUPHBYBZCTPW-MRXNPFEDSA-N 0 3 314.433 2.426 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270839885 403230126 /nfs/dbraw/zinc/23/01/26/403230126.db2.gz KJHACCINSRWVRX-MSOLQXFVSA-N 0 3 316.445 2.342 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000283364284 403192191 /nfs/dbraw/zinc/19/21/91/403192191.db2.gz NMYCTEIZZPQHHY-HOTGVXAUSA-N 0 3 316.401 2.060 20 30 DEEDHN CC#CC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000283435238 403197346 /nfs/dbraw/zinc/19/73/46/403197346.db2.gz VTSSPWRZMXBYAU-UHFFFAOYSA-N 0 3 323.234 2.363 20 30 DEEDHN CN1CCC(Oc2ccc(CNC(=O)C(C)(C)C#N)cc2)CC1 ZINC000284559770 403269351 /nfs/dbraw/zinc/26/93/51/403269351.db2.gz FBMOBPCEEVQWGY-UHFFFAOYSA-N 0 3 315.417 2.326 20 30 DEEDHN C#CCN(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000297937888 403290206 /nfs/dbraw/zinc/29/02/06/403290206.db2.gz ADVHRQPQOZUGGJ-UHFFFAOYSA-N 0 3 310.401 2.383 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCS(=O)(=O)[C@H]2C)c([O-])c1 ZINC000292406681 403359936 /nfs/dbraw/zinc/35/99/36/403359936.db2.gz XYHFIODTTKLYFU-PCYIUTIASA-N 0 3 324.446 2.233 20 30 DEEDHN CC(C)[C@H]1CN(C)CCN1CCC(=O)Nc1sccc1C#N ZINC000331248267 403362242 /nfs/dbraw/zinc/36/22/42/403362242.db2.gz WRIOMHRKEKZZJT-CQSZACIVSA-N 0 3 320.462 2.220 20 30 DEEDHN N#Cc1ncn(CCNCc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000285497324 403311093 /nfs/dbraw/zinc/31/10/93/403311093.db2.gz MLKGKASQSDNTDD-UHFFFAOYSA-N 0 3 313.258 2.097 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN1C ZINC000331126199 403334203 /nfs/dbraw/zinc/33/42/03/403334203.db2.gz QMGNKENWDUEZGS-DZGCQCFKSA-N 0 3 315.417 2.315 20 30 DEEDHN CCOC1(C)CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298248242 403340611 /nfs/dbraw/zinc/34/06/11/403340611.db2.gz KCAGCSNGKSEZEZ-INIZCTEOSA-N 0 3 318.417 2.189 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000285775776 403377177 /nfs/dbraw/zinc/37/71/77/403377177.db2.gz UHIFOBKULPYWIB-BONVTDFDSA-N 0 3 303.793 2.424 20 30 DEEDHN CCn1cc([C@H](C)NCCC(=O)Nc2ccccc2C#N)cn1 ZINC000298478070 403391443 /nfs/dbraw/zinc/39/14/43/403391443.db2.gz SSIBNYRVKUKINT-ZDUSSCGKSA-N 0 3 311.389 2.454 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)COCC(F)(F)F)C(C)C ZINC000298482977 403392125 /nfs/dbraw/zinc/39/21/25/403392125.db2.gz DVWCWHRYUCKVQW-ZDUSSCGKSA-N 0 3 322.371 2.380 20 30 DEEDHN CC#CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285846883 403393987 /nfs/dbraw/zinc/39/39/87/403393987.db2.gz PUFOACZHTMHNQV-HNNXBMFYSA-N 0 3 306.356 2.283 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccccc1C#N ZINC000285910517 403409160 /nfs/dbraw/zinc/40/91/60/403409160.db2.gz SJOMZMIHLJCNTA-GDBMZVCRSA-N 0 3 313.401 2.022 20 30 DEEDHN COc1ccc([C@H](CNC(=O)C(C)C#N)N2CCCC2)cc1 ZINC000345664765 403427640 /nfs/dbraw/zinc/42/76/40/403427640.db2.gz NKQZFMKTEHQAEF-CJNGLKHVSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H](C)C#N)C(C)C ZINC000298658520 403433424 /nfs/dbraw/zinc/43/34/24/403433424.db2.gz HOFOESKXEJAMOU-HOTGVXAUSA-N 0 3 306.454 2.486 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCOC1)C(C)C ZINC000298698209 403442552 /nfs/dbraw/zinc/44/25/52/403442552.db2.gz VKMKDMCEWWMQCH-HOTGVXAUSA-N 0 3 309.454 2.021 20 30 DEEDHN CCN1CCC(n2nccc2NC(=O)c2ccc(C#N)o2)CC1 ZINC000339783264 403449485 /nfs/dbraw/zinc/44/94/85/403449485.db2.gz KFCYPQBJBPNBIH-UHFFFAOYSA-N 0 3 313.361 2.257 20 30 DEEDHN C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C1=CCN(C)CC1 ZINC000293391571 403460325 /nfs/dbraw/zinc/46/03/25/403460325.db2.gz FVMONRKCBYHZCR-ZDUSSCGKSA-N 0 3 312.417 2.004 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000345761517 403473249 /nfs/dbraw/zinc/47/32/49/403473249.db2.gz LEVXAFRRGOOAMI-WDEREUQCSA-N 0 3 320.780 2.072 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2c(F)cccc2Cl)CC1 ZINC000299155742 403535532 /nfs/dbraw/zinc/53/55/32/403535532.db2.gz OJNZRQBJCVRBRZ-UHFFFAOYSA-N 0 3 308.784 2.441 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000301180844 403598754 /nfs/dbraw/zinc/59/87/54/403598754.db2.gz NDXQKYZKBAEJFH-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=C(C)CN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000346724062 403599210 /nfs/dbraw/zinc/59/92/10/403599210.db2.gz OQPNGWMMRLBWLY-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1ccc(CN[C@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000293839913 403577707 /nfs/dbraw/zinc/57/77/07/403577707.db2.gz BAOMOCZQQQDGSE-QGZVFWFLSA-N 0 3 318.392 2.355 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346190999 403578804 /nfs/dbraw/zinc/57/88/04/403578804.db2.gz LZXDGMRNLGYNMN-HMDCTGQHSA-N 0 3 306.450 2.156 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(C#N)o1 ZINC000300218388 403582627 /nfs/dbraw/zinc/58/26/27/403582627.db2.gz SQFRJBXLOWYATP-WDNDVIMCSA-N 0 3 303.362 2.106 20 30 DEEDHN CCc1nc(C)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)o1 ZINC000293980109 403615017 /nfs/dbraw/zinc/61/50/17/403615017.db2.gz KXOWYYONFFCKIB-HNNXBMFYSA-N 0 3 322.368 2.416 20 30 DEEDHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)C(C)C#N)ccc2NC1=O ZINC000347189916 403618875 /nfs/dbraw/zinc/61/88/75/403618875.db2.gz APWPSEXOSKDHRU-KWBADKCTSA-N 0 3 301.346 2.133 20 30 DEEDHN Cc1ccnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1C#N ZINC000343518165 403620666 /nfs/dbraw/zinc/62/06/66/403620666.db2.gz YIVUFRYIDIUVFF-LJQANCHMSA-N 0 3 322.412 2.311 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)CCOc1ccccc1 ZINC000294017795 403625610 /nfs/dbraw/zinc/62/56/10/403625610.db2.gz QFIBGBSIOJFUNR-MRXNPFEDSA-N 0 3 302.418 2.163 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000294013341 403624275 /nfs/dbraw/zinc/62/42/75/403624275.db2.gz PVOHORLJDUDEOS-UHFFFAOYSA-N 0 3 321.402 2.002 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](OC(C)C)c1ccccc1 ZINC000294070701 403639684 /nfs/dbraw/zinc/63/96/84/403639684.db2.gz VUTMEASVXGWMNR-QGZVFWFLSA-N 0 3 302.418 2.224 20 30 DEEDHN CCc1nnc(N2CCN(c3ccncc3)CC2)c(C#N)c1CC ZINC000301609957 403653110 /nfs/dbraw/zinc/65/31/10/403653110.db2.gz BSYMFBAUUZZCDW-UHFFFAOYSA-N 0 3 322.416 2.195 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000294120765 403653295 /nfs/dbraw/zinc/65/32/95/403653295.db2.gz ZSZVRHBPIXBYPD-STQMWFEESA-N 0 3 306.356 2.140 20 30 DEEDHN CN(c1ccc(C#N)nn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301892207 403696802 /nfs/dbraw/zinc/69/68/02/403696802.db2.gz ADDXUIVCDNDGBM-KRWDZBQOSA-N 0 3 307.401 2.449 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3oc(=O)[nH]c3c2)nc(C)n1 ZINC000347603226 403770168 /nfs/dbraw/zinc/77/01/68/403770168.db2.gz XXOUMQPJKCCMLP-LLVKDONJSA-N 0 3 308.297 2.430 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000343836144 403752569 /nfs/dbraw/zinc/75/25/69/403752569.db2.gz VCWSYACKXFKUFY-DYVFJYSZSA-N 0 3 300.402 2.464 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H](C)O)C1CCCCC1 ZINC000303375775 403754227 /nfs/dbraw/zinc/75/42/27/403754227.db2.gz OAOZUPJNJHCRHB-PBHICJAKSA-N 0 3 309.454 2.056 20 30 DEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(C#N)c(OC)c1)C(C)C ZINC000295084934 403754740 /nfs/dbraw/zinc/75/47/40/403754740.db2.gz QVDGBYJGQKOLSC-INIZCTEOSA-N 0 3 303.406 2.159 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000288505148 403756791 /nfs/dbraw/zinc/75/67/91/403756791.db2.gz RQDPKJPIHSCEIU-INIZCTEOSA-N 0 3 317.433 2.487 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C12CCCC2 ZINC000347682744 403804019 /nfs/dbraw/zinc/80/40/19/403804019.db2.gz CZFIJDOFXXROHH-INMHGKMJSA-N 0 3 321.465 2.368 20 30 DEEDHN C=CCC(CC=C)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000354468976 403818152 /nfs/dbraw/zinc/81/81/52/403818152.db2.gz UDLVVENNQSCNNL-UHFFFAOYSA-N 0 3 307.482 2.287 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1C ZINC000341204689 403830535 /nfs/dbraw/zinc/83/05/35/403830535.db2.gz QCNGHXPISLNJFO-BBRMVZONSA-N 0 3 300.406 2.182 20 30 DEEDHN C#Cc1ccc(CNCc2ccc(N3CCOCC3)nc2)cc1 ZINC000289285571 403898027 /nfs/dbraw/zinc/89/80/27/403898027.db2.gz PBMRILXWMADNAU-UHFFFAOYSA-N 0 3 307.397 2.189 20 30 DEEDHN Cc1cnn(C)c1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289147206 403850655 /nfs/dbraw/zinc/85/06/55/403850655.db2.gz ATQWHNZMIVEYAJ-UHFFFAOYSA-N 0 3 311.433 2.164 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295327927 403859102 /nfs/dbraw/zinc/85/91/02/403859102.db2.gz LPVHCIDPAKGZKG-ZDUSSCGKSA-N 0 3 315.373 2.117 20 30 DEEDHN C[C@H]1C[C@H](NCCNC(=O)C2N=CC=CC2=O)c2ccccc21 ZINC000289194653 403869147 /nfs/dbraw/zinc/86/91/47/403869147.db2.gz JEFJVCKQFKYSFW-NMWGMQSGSA-N 0 3 311.385 2.351 20 30 DEEDHN COc1cc(C#N)ccc1CN(C)C1CCC(NC(C)=O)CC1 ZINC000344076899 403894317 /nfs/dbraw/zinc/89/43/17/403894317.db2.gz WCRWJUPOEQRDKV-UHFFFAOYSA-N 0 3 315.417 2.446 20 30 DEEDHN N#Cc1ccc(CN2CCCN(Cc3cccnc3N)CC2)cc1 ZINC000289366905 403928662 /nfs/dbraw/zinc/92/86/62/403928662.db2.gz OSCPDVLGVCTLKU-UHFFFAOYSA-N 0 3 321.428 2.243 20 30 DEEDHN CN(C[C@H](O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000336876736 403947498 /nfs/dbraw/zinc/94/74/98/403947498.db2.gz UXZRJSPITZVBPQ-OTWHNJEPSA-N 0 3 313.445 2.213 20 30 DEEDHN Cc1ncsc1CON=C(N)c1ccc(CN(C)C)cc1 ZINC000289405402 403948040 /nfs/dbraw/zinc/94/80/40/403948040.db2.gz OQHTXYPHXPXEOW-UHFFFAOYSA-N 0 3 304.419 2.350 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000289422624 403957751 /nfs/dbraw/zinc/95/77/51/403957751.db2.gz CIPKEDZBLGRVDK-CQSZACIVSA-N 0 3 323.462 2.098 20 30 DEEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289600451 403988208 /nfs/dbraw/zinc/98/82/08/403988208.db2.gz CPYRDQLPUMWRER-GXTWGEPZSA-N 0 3 310.825 2.214 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000289608128 403988286 /nfs/dbraw/zinc/98/82/86/403988286.db2.gz OBSPOPAFLNVDFZ-UHFFFAOYSA-N 0 3 313.401 2.169 20 30 DEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000289904303 404007910 /nfs/dbraw/zinc/00/79/10/404007910.db2.gz UCRQGTURKDYVSY-DZGCQCFKSA-N 0 3 301.390 2.197 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000295831041 404014287 /nfs/dbraw/zinc/01/42/87/404014287.db2.gz WCQNCAZXOODJHO-CRAIPNDOSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000348522800 404076605 /nfs/dbraw/zinc/07/66/05/404076605.db2.gz ZTXJVUCYCDBRLF-BHYGNILZSA-N 0 3 302.418 2.405 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363137136 404088410 /nfs/dbraw/zinc/08/84/10/404088410.db2.gz UFZSJUPHFMAORL-HZPDHXFCSA-N 0 3 318.465 2.098 20 30 DEEDHN N#CCCCNCc1ccccc1OCC(=O)N1CCCC1 ZINC000344369210 404088714 /nfs/dbraw/zinc/08/87/14/404088714.db2.gz WRDAMFVLQJJCSM-UHFFFAOYSA-N 0 3 301.390 2.081 20 30 DEEDHN Cc1cc(CN2CCC[C@@H](CN3CCOCC3)C2)ccc1C#N ZINC000337477822 404052008 /nfs/dbraw/zinc/05/20/08/404052008.db2.gz ZIUJIMAKFDEFGF-SFHVURJKSA-N 0 3 313.445 2.411 20 30 DEEDHN C=C(C)CN(CCCN1C(=O)CNC1=O)Cc1ccccc1 ZINC000348233563 404052984 /nfs/dbraw/zinc/05/29/84/404052984.db2.gz KBGZOEHDIBTLCG-UHFFFAOYSA-N 0 3 301.390 2.007 20 30 DEEDHN CN(C)C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000290137563 404055174 /nfs/dbraw/zinc/05/51/74/404055174.db2.gz NNXPKWUCXWUPFF-KRWDZBQOSA-N 0 3 300.381 2.428 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2ccccc2F)cc1 ZINC000320184502 404063670 /nfs/dbraw/zinc/06/36/70/404063670.db2.gz OMODTOYBLGKHGG-KRWDZBQOSA-N 0 3 314.360 2.365 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000290262704 404102879 /nfs/dbraw/zinc/10/28/79/404102879.db2.gz AZLAPJVYJSZYEO-AYBZRNKSSA-N 0 3 316.445 2.340 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000290262707 404102916 /nfs/dbraw/zinc/10/29/16/404102916.db2.gz AZLAPJVYJSZYEO-IEZWGBDMSA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000296168348 404124001 /nfs/dbraw/zinc/12/40/01/404124001.db2.gz LBSUAJGSKGFIQZ-HNNXBMFYSA-N 0 3 317.433 2.319 20 30 DEEDHN COc1cc(CN(CCN(C)C)C[C@H]2CCCO2)ccc1C#N ZINC000349041689 404118329 /nfs/dbraw/zinc/11/83/29/404118329.db2.gz WJEFHWXVPBPZFC-QGZVFWFLSA-N 0 3 317.433 2.109 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000296196036 404136613 /nfs/dbraw/zinc/13/66/13/404136613.db2.gz DCQXEXWFQOVSMQ-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412138997 404154699 /nfs/dbraw/zinc/15/46/99/404154699.db2.gz YZMFCIHLLPEJJU-RUGDWHBFSA-N 0 3 311.429 2.460 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328762718 404145890 /nfs/dbraw/zinc/14/58/90/404145890.db2.gz ZLVGXIPZWVFJEW-KGLIPLIRSA-N 0 3 322.453 2.358 20 30 DEEDHN C[C@](C#N)(NC(=O)CN1CC[C@@H](C2CCOCC2)C1)C1CC1 ZINC000328830613 404157330 /nfs/dbraw/zinc/15/73/30/404157330.db2.gz KPGJFUHVQBXUKH-RHSMWYFYSA-N 0 3 305.422 2.384 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@H]2CCCc3nn(C)cc32)C1 ZINC000328832108 404159767 /nfs/dbraw/zinc/15/97/67/404159767.db2.gz VPGUZJTYVKERFR-HIFRSBDPSA-N 0 3 319.453 2.033 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000344480573 404168745 /nfs/dbraw/zinc/16/87/45/404168745.db2.gz GLAUJGYTMRVZQD-APIJFGDWSA-N 0 3 321.465 2.367 20 30 DEEDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000296278507 404175730 /nfs/dbraw/zinc/17/57/30/404175730.db2.gz YRQUYZINFFORJQ-HUUCEWRRSA-N 0 3 314.433 2.301 20 30 DEEDHN C#CCOc1ccccc1CN1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000290609690 404239997 /nfs/dbraw/zinc/23/99/97/404239997.db2.gz WLGZSYRHMQEKBK-QGZVFWFLSA-N 0 3 312.413 2.143 20 30 DEEDHN CC(=O)N1CCC(CCC(=O)NCC2=CCN(C)CC2)CC1 ZINC000329224460 404271612 /nfs/dbraw/zinc/27/16/12/404271612.db2.gz ZSFZIAAPQACWOK-UHFFFAOYSA-N 0 3 307.438 2.244 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc(C#N)ccc1C ZINC000341948126 404272173 /nfs/dbraw/zinc/27/21/73/404272173.db2.gz RIMJYZUUZKSARZ-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC000369923376 404273519 /nfs/dbraw/zinc/27/35/19/404273519.db2.gz LULSJPAQVCMGNG-YOEHRIQHSA-N 0 3 302.349 2.472 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1nnc(C)s1 ZINC000329451391 404340094 /nfs/dbraw/zinc/34/00/94/404340094.db2.gz CRHAKLWHFANVHQ-RTXFEEFZSA-N 0 3 323.466 2.380 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn3cc(C)nc3s2)CC1 ZINC000355521175 404345863 /nfs/dbraw/zinc/34/58/63/404345863.db2.gz MYUVBSFWAFCOJT-UHFFFAOYSA-N 0 3 318.446 2.475 20 30 DEEDHN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329484729 404352428 /nfs/dbraw/zinc/35/24/28/404352428.db2.gz FRQKINJEIVYGQV-UKRRQHHQSA-N 0 3 307.438 2.384 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000296639643 404311869 /nfs/dbraw/zinc/31/18/69/404311869.db2.gz ZPOROQKGGMSBEE-QGZVFWFLSA-N 0 3 312.417 2.286 20 30 DEEDHN Cc1nsc(N2CC[C@@H](OCCN3CCCCC3)C2)c1C#N ZINC000329391267 404323418 /nfs/dbraw/zinc/32/34/18/404323418.db2.gz RRTOUSOLCBVQTF-CQSZACIVSA-N 0 3 320.462 2.404 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329521930 404364822 /nfs/dbraw/zinc/36/48/22/404364822.db2.gz PDILSEMHXQHGFJ-SJXGUFTOSA-N 0 3 308.422 2.011 20 30 DEEDHN Cc1noc([C@@H]2CCCCN2C(=O)NCC2(N(C)C)CCC2)n1 ZINC000329534933 404368602 /nfs/dbraw/zinc/36/86/02/404368602.db2.gz LAVYPONVAKTIPK-ZDUSSCGKSA-N 0 3 321.425 2.303 20 30 DEEDHN Cc1cccc2c1OC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C2 ZINC000329553845 404374003 /nfs/dbraw/zinc/37/40/03/404374003.db2.gz BCOUASFZTPSSFC-NUEKZKHPSA-N 0 3 317.433 2.285 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000344818282 404386484 /nfs/dbraw/zinc/38/64/84/404386484.db2.gz YDFXMNROUMOMSC-AWEZNQCLSA-N 0 3 310.417 2.288 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000350453473 404391624 /nfs/dbraw/zinc/39/16/24/404391624.db2.gz FXPCRYURNBIMSA-MSOLQXFVSA-N 0 3 319.364 2.090 20 30 DEEDHN CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329616367 404394966 /nfs/dbraw/zinc/39/49/66/404394966.db2.gz PTRLBMKMGXGJCC-QJPTWQEYSA-N 0 3 308.451 2.445 20 30 DEEDHN CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329616367 404394970 /nfs/dbraw/zinc/39/49/70/404394970.db2.gz PTRLBMKMGXGJCC-QJPTWQEYSA-N 0 3 308.451 2.445 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C(=O)N[C@@H]3CN(C(C)C)C[C@H]3C)C2)c1 ZINC000329626491 404398452 /nfs/dbraw/zinc/39/84/52/404398452.db2.gz TYRKLSXTLVNPJT-BZUAXINKSA-N 0 3 319.453 2.081 20 30 DEEDHN O=C(N[C@H]1CCCC12CCOCC2)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329636596 404404348 /nfs/dbraw/zinc/40/43/48/404404348.db2.gz YGEDRTTURLZDSG-DOMZBBRYSA-N 0 3 318.421 2.120 20 30 DEEDHN O=C(N[C@H]1CCCC12CCOCC2)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329636596 404404355 /nfs/dbraw/zinc/40/43/55/404404355.db2.gz YGEDRTTURLZDSG-DOMZBBRYSA-N 0 3 318.421 2.120 20 30 DEEDHN O=C(N[C@@H](CO)C1CCCC1)[C@@H]1CCCN1C1CCOCC1 ZINC000329693677 404426036 /nfs/dbraw/zinc/42/60/36/404426036.db2.gz AVFBUYLPTKDINW-HOTGVXAUSA-N 0 3 310.438 2.137 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CCCCC2)CC1 ZINC000338721723 404499584 /nfs/dbraw/zinc/49/95/84/404499584.db2.gz ASGVEEAQKDMZOK-CQSZACIVSA-N 0 3 307.438 2.433 20 30 DEEDHN Cc1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000350658225 404434628 /nfs/dbraw/zinc/43/46/28/404434628.db2.gz UWPDJDBXMZSUKH-MRXNPFEDSA-N 0 3 322.368 2.204 20 30 DEEDHN CO[C@]1(C)CCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329743510 404438922 /nfs/dbraw/zinc/43/89/22/404438922.db2.gz PZZKARMAQGTXQO-MLGOLLRUSA-N 0 3 306.410 2.072 20 30 DEEDHN CO[C@]1(C)CCCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329743510 404438932 /nfs/dbraw/zinc/43/89/32/404438932.db2.gz PZZKARMAQGTXQO-MLGOLLRUSA-N 0 3 306.410 2.072 20 30 DEEDHN CO[C@]1(C)CCCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329743510 404438936 /nfs/dbraw/zinc/43/89/36/404438936.db2.gz PZZKARMAQGTXQO-MLGOLLRUSA-N 0 3 306.410 2.072 20 30 DEEDHN CO[C@]1(C)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329743510 404438938 /nfs/dbraw/zinc/43/89/38/404438938.db2.gz PZZKARMAQGTXQO-MLGOLLRUSA-N 0 3 306.410 2.072 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000350730912 404453430 /nfs/dbraw/zinc/45/34/30/404453430.db2.gz WHEGZASCFNYOIA-KGLIPLIRSA-N 0 3 303.454 2.336 20 30 DEEDHN CNC(=O)C1CCC(NC(=O)N2CC[C@]3(CCN(C)C3)C2)CC1 ZINC000330197704 404581459 /nfs/dbraw/zinc/58/14/59/404581459.db2.gz SEIDGNGNCGDOFJ-KVULBXGLSA-N 0 3 322.453 2.073 20 30 DEEDHN C[C@@H]1OCC[C@@]1(C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000330203601 404583625 /nfs/dbraw/zinc/58/36/25/404583625.db2.gz AYIGLXVHJAFULK-FDQGKXFDSA-N 0 3 313.401 2.211 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)c2cccc3c2OCO3)CCSC1 ZINC000330057102 404539271 /nfs/dbraw/zinc/53/92/71/404539271.db2.gz WXIIVKKPTLWORK-OAHLLOKOSA-N 0 3 308.403 2.157 20 30 DEEDHN CN1CCC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1=O ZINC000330054968 404539581 /nfs/dbraw/zinc/53/95/81/404539581.db2.gz SWCUQUCMNLBZAG-INIZCTEOSA-N 0 3 315.417 2.208 20 30 DEEDHN C[C@@H](CCC#N)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000351264688 404540112 /nfs/dbraw/zinc/54/01/12/404540112.db2.gz BIMRAKHBUSYHCL-KRWDZBQOSA-N 0 3 300.450 2.433 20 30 DEEDHN CC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000330183288 404576474 /nfs/dbraw/zinc/57/64/74/404576474.db2.gz PTYZMDQFAWNQFG-IRXDYDNUSA-N 0 3 315.417 2.086 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc(-c3nc[nH]n3)cc2)nc(C)n1 ZINC000342437317 404578306 /nfs/dbraw/zinc/57/83/06/404578306.db2.gz BAKREUYQTKWGHQ-CQSZACIVSA-N 0 3 318.340 2.369 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc(-c3nc[nH]n3)cc2)nc(C)n1 ZINC000342437316 404578663 /nfs/dbraw/zinc/57/86/63/404578663.db2.gz BAKREUYQTKWGHQ-AWEZNQCLSA-N 0 3 318.340 2.369 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCSC2)CC1 ZINC000352822823 404648357 /nfs/dbraw/zinc/64/83/57/404648357.db2.gz ZVZKYXQCSNDZOE-AWEZNQCLSA-N 0 3 311.495 2.469 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)c2cc(C#N)cs2)ccn1 ZINC000345292774 404660933 /nfs/dbraw/zinc/66/09/33/404660933.db2.gz IMICACBVDLFMLT-UHFFFAOYSA-N 0 3 316.386 2.207 20 30 DEEDHN COCC1(CON=C(N)c2ccc(CN(C)C)cc2)CCC1 ZINC000291963450 404602510 /nfs/dbraw/zinc/60/25/10/404602510.db2.gz RMCKVIZVYKHLHC-UHFFFAOYSA-N 0 3 305.422 2.202 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330256135 404603347 /nfs/dbraw/zinc/60/33/47/404603347.db2.gz KKBIZKXTIJRQLW-XEGUGMAKSA-N 0 3 306.410 2.171 20 30 DEEDHN CN(C)CCOC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000351512695 404617537 /nfs/dbraw/zinc/61/75/37/404617537.db2.gz OVYGZWRYIBXXBP-UHFFFAOYSA-N 0 3 316.405 2.133 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)COC3)CCN1C ZINC000330296076 404618189 /nfs/dbraw/zinc/61/81/89/404618189.db2.gz JWFATAXFLDNNSO-MLGOLLRUSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000357424462 404734293 /nfs/dbraw/zinc/73/42/93/404734293.db2.gz WKBQBNDZINHIHK-DZGCQCFKSA-N 0 3 318.417 2.473 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC(C)(C)[C@@H]2C)CC1 ZINC000357734309 404742357 /nfs/dbraw/zinc/74/23/57/404742357.db2.gz OWVQUMLWTKVZPG-AWEZNQCLSA-N 0 3 309.454 2.236 20 30 DEEDHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(C)C#N)C1 ZINC000357788017 404743730 /nfs/dbraw/zinc/74/37/30/404743730.db2.gz HZXCEYXUMMJXBQ-CMPLNLGQSA-N 0 3 307.781 2.203 20 30 DEEDHN Cc1ccc2ncc(C#N)c(NC[C@@H]3CN4CCC[C@H]4CO3)c2c1 ZINC000366177255 404767636 /nfs/dbraw/zinc/76/76/36/404767636.db2.gz JHMCAXJNWUMPFQ-JKSUJKDBSA-N 0 3 322.412 2.112 20 30 DEEDHN N#Cc1ncn(CCNCc2cnc(-c3ccccc3)s2)n1 ZINC000353034982 404727849 /nfs/dbraw/zinc/72/78/49/404727849.db2.gz CGPQQSDVBRGKJD-UHFFFAOYSA-N 0 3 310.386 2.063 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](CO)CC2CCCC2)CC1 ZINC000358969018 404780326 /nfs/dbraw/zinc/78/03/26/404780326.db2.gz AYEFVURSQXEROY-MRXNPFEDSA-N 0 3 323.481 2.125 20 30 DEEDHN N#Cc1cccc(CCNCc2ccc3c(c2)NC(=O)CO3)c1 ZINC000353330655 404804383 /nfs/dbraw/zinc/80/43/83/404804383.db2.gz MEQUJVDHJRUFIV-UHFFFAOYSA-N 0 3 307.353 2.221 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)NC2(C#N)CCC2)[C@H](C(F)(F)F)C1 ZINC000366593313 404821035 /nfs/dbraw/zinc/82/10/35/404821035.db2.gz PSPIIYLGSIQGJU-GHMZBOCLSA-N 0 3 317.355 2.458 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CO)CC2CCCCC2)CC1 ZINC000416699299 404885450 /nfs/dbraw/zinc/88/54/50/404885450.db2.gz XJBVJNDUBIYOFC-QGZVFWFLSA-N 0 3 323.481 2.267 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360890481 404845831 /nfs/dbraw/zinc/84/58/31/404845831.db2.gz AJJBUECXRPNQPD-UWVGGRQHSA-N 0 3 300.284 2.225 20 30 DEEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000415427268 404861412 /nfs/dbraw/zinc/86/14/12/404861412.db2.gz MWDVAJYLPXZPAL-OAHLLOKOSA-N 0 3 317.433 2.233 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H]2CC[C@H](CO)O2)ccc1OC ZINC000353717326 404938874 /nfs/dbraw/zinc/93/88/74/404938874.db2.gz MQFQKLXCOFKSIT-JKSUJKDBSA-N 0 3 321.417 2.280 20 30 DEEDHN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424088265 405001658 /nfs/dbraw/zinc/00/16/58/405001658.db2.gz TVJLMTCSRHGSCZ-LBPRGKRZSA-N 0 3 308.769 2.258 20 30 DEEDHN COCCCOc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424095193 405004422 /nfs/dbraw/zinc/00/44/22/405004422.db2.gz ADYWYDIFPHGWSA-ZDUSSCGKSA-N 0 3 305.378 2.062 20 30 DEEDHN COc1ccc(CCCN(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424096174 405004595 /nfs/dbraw/zinc/00/45/95/405004595.db2.gz YWUDQGJHQHPYOB-INIZCTEOSA-N 0 3 303.406 2.107 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000424099886 405005919 /nfs/dbraw/zinc/00/59/19/405005919.db2.gz NAPZOAQFWBBOCB-HNNXBMFYSA-N 0 3 307.344 2.477 20 30 DEEDHN CC(C)(C)NC(=O)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424101406 405006120 /nfs/dbraw/zinc/00/61/20/405006120.db2.gz PCYPPZROXYGIBK-CQSZACIVSA-N 0 3 316.405 2.175 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccccc1C(F)(F)F ZINC000424103013 405007221 /nfs/dbraw/zinc/00/72/21/405007221.db2.gz PPCUKYNBBRLTHZ-CYBMUJFWSA-N 0 3 313.323 2.385 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000424113353 405009601 /nfs/dbraw/zinc/00/96/01/405009601.db2.gz NFVVXXXCMKDAOW-FUHWJXTLSA-N 0 3 320.396 2.233 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000424113045 405010005 /nfs/dbraw/zinc/01/00/05/405010005.db2.gz LTMPSFDLPPRBEI-HNNXBMFYSA-N 0 3 303.381 2.385 20 30 DEEDHN N#Cc1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c[nH]1 ZINC000424110920 405010111 /nfs/dbraw/zinc/01/01/11/405010111.db2.gz FWMDTNPIMNYRRW-MAUKXSAKSA-N 0 3 320.396 2.233 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCc2ccc(Br)cc21 ZINC000424144641 405020693 /nfs/dbraw/zinc/02/06/93/405020693.db2.gz SOQZTLXEVMSGIC-LBPRGKRZSA-N 0 3 322.206 2.359 20 30 DEEDHN CCCCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCC#N)C1(C)C ZINC000424147698 405022876 /nfs/dbraw/zinc/02/28/76/405022876.db2.gz DAAKYKPGYPNHEK-RBSFLKMASA-N 0 3 309.454 2.450 20 30 DEEDHN CCc1csc([C@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)n1 ZINC000424152045 405023996 /nfs/dbraw/zinc/02/39/96/405023996.db2.gz HWFMVXOQKWFNPD-GXTWGEPZSA-N 0 3 320.462 2.433 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(NC2CCOCC2)cc1 ZINC000424152051 405024326 /nfs/dbraw/zinc/02/43/26/405024326.db2.gz HXOKLCSSASOOTL-INIZCTEOSA-N 0 3 316.405 2.237 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000424164315 405026749 /nfs/dbraw/zinc/02/67/49/405026749.db2.gz CBIBTHPOVRCFEE-HYVNUMGLSA-N 0 3 315.417 2.292 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000424173180 405029116 /nfs/dbraw/zinc/02/91/16/405029116.db2.gz NTTQBKOSVWDYKG-SOUVJXGZSA-N 0 3 321.808 2.307 20 30 DEEDHN CCc1ccc([C@@H]2CN(C(=O)[C@@H](N)CCCC#N)CCO2)cc1 ZINC000424173658 405029652 /nfs/dbraw/zinc/02/96/52/405029652.db2.gz OGWFVKZYRWXOCB-IRXDYDNUSA-N 0 3 315.417 2.170 20 30 DEEDHN COc1ccc(C[C@H](C)CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424178921 405031193 /nfs/dbraw/zinc/03/11/93/405031193.db2.gz XUXXYNSTBRVDKG-BBRMVZONSA-N 0 3 303.406 2.011 20 30 DEEDHN C=C(C)CS(=O)(=O)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000435421150 404978454 /nfs/dbraw/zinc/97/84/54/404978454.db2.gz IAUMYHJACKKZRO-KKUMJFAQSA-N 0 3 300.468 2.230 20 30 DEEDHN C[C@@H](CCNS(=O)(=O)CC(C)(C)CC#N)N1CCCCC1 ZINC000451396311 404978663 /nfs/dbraw/zinc/97/86/63/404978663.db2.gz RZFWXGOTLRZJJI-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN CC#CCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000361354899 405035927 /nfs/dbraw/zinc/03/59/27/405035927.db2.gz YNTQGMHEGINJIT-UHFFFAOYSA-N 0 3 308.381 2.328 20 30 DEEDHN COc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C2CC2)cc1 ZINC000424062040 404989902 /nfs/dbraw/zinc/98/99/02/404989902.db2.gz KFBYBYIPHZXEHZ-CVEARBPZSA-N 0 3 301.390 2.284 20 30 DEEDHN COc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C2CC2)cc1 ZINC000424062043 404990112 /nfs/dbraw/zinc/99/01/12/404990112.db2.gz KFBYBYIPHZXEHZ-HOTGVXAUSA-N 0 3 301.390 2.284 20 30 DEEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424070814 404994160 /nfs/dbraw/zinc/99/41/60/404994160.db2.gz ASYFBPWOOFCJMP-WFASDCNBSA-N 0 3 313.405 2.397 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000436066603 405042017 /nfs/dbraw/zinc/04/20/17/405042017.db2.gz LNXQSGMQOJXFJY-OAHLLOKOSA-N 0 3 311.385 2.362 20 30 DEEDHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424327597 405069033 /nfs/dbraw/zinc/06/90/33/405069033.db2.gz MZUGJHWXSWCMKT-HZSPNIEDSA-N 0 3 321.446 2.294 20 30 DEEDHN COc1cc(NC(=O)CCCC#N)ccc1OCCN(C)C ZINC000416334425 405108231 /nfs/dbraw/zinc/10/82/31/405108231.db2.gz PYPCAQVVBMHMRP-UHFFFAOYSA-N 0 3 305.378 2.268 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@H]2CCCN2CCc2ccccc2)c[nH]1 ZINC000367768845 405148181 /nfs/dbraw/zinc/14/81/81/405148181.db2.gz NAQDPTGNPJCSIW-GOSISDBHSA-N 0 3 322.412 2.323 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(CC)[C@@H]1CCOC1 ZINC000361586167 405145611 /nfs/dbraw/zinc/14/56/11/405145611.db2.gz GRJYWOZNOIDRMV-IAGOWNOFSA-N 0 3 305.418 2.266 20 30 DEEDHN C=C(C)COCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000354388137 405188843 /nfs/dbraw/zinc/18/88/43/405188843.db2.gz ARIWBMVYQLMJAV-QGZVFWFLSA-N 0 3 317.433 2.153 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN(C2CC2)C1 ZINC000452167403 405201016 /nfs/dbraw/zinc/20/10/16/405201016.db2.gz VWECCIRLZFLEOF-KSSFIOAISA-N 0 3 301.434 2.403 20 30 DEEDHN CC(C)NC(=O)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354458605 405220553 /nfs/dbraw/zinc/22/05/53/405220553.db2.gz CAEQCAVVHWHKJQ-CQSZACIVSA-N 0 3 308.341 2.105 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000439621662 405286434 /nfs/dbraw/zinc/28/64/34/405286434.db2.gz DAYCUEXFVLQPRO-BYCMXARLSA-N 0 3 301.390 2.288 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000419413032 405248331 /nfs/dbraw/zinc/24/83/31/405248331.db2.gz KBIQEWBBFNZRTE-OAHLLOKOSA-N 0 3 300.406 2.282 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CCNC[C@](C)(F)C2)c1C ZINC000420326995 405320925 /nfs/dbraw/zinc/32/09/25/405320925.db2.gz GAQWCIDEVNUDKZ-KRWDZBQOSA-N 0 3 307.413 2.107 20 30 DEEDHN COCC(C)(C)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000426033792 405336688 /nfs/dbraw/zinc/33/66/88/405336688.db2.gz DCLMOGGYPWTVGB-UHFFFAOYSA-N 0 3 301.434 2.348 20 30 DEEDHN COc1ccc(CN2CCCN(c3cncc(C#N)n3)CC2)cc1 ZINC000420586465 405358804 /nfs/dbraw/zinc/35/88/04/405358804.db2.gz NZCYNXDIHRDZAV-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000425486975 405298201 /nfs/dbraw/zinc/29/82/01/405298201.db2.gz YCEOZXIZRCNYPK-BBRMVZONSA-N 0 3 312.417 2.497 20 30 DEEDHN C=C(C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000455303864 405395647 /nfs/dbraw/zinc/39/56/47/405395647.db2.gz BASOGOXWQNJGTH-IYBDPMFKSA-N 0 3 323.481 2.483 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420945414 405412848 /nfs/dbraw/zinc/41/28/48/405412848.db2.gz KQZSBORCNQTBGX-GFCCVEGCSA-N 0 3 305.344 2.413 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cc(=O)n2c(C)csc2n1 ZINC000429707093 405444276 /nfs/dbraw/zinc/44/42/76/405444276.db2.gz FXASOBPVVNCIBC-UHFFFAOYSA-N 0 3 320.462 2.004 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)Cc1ccccc1C ZINC000429719863 405445630 /nfs/dbraw/zinc/44/56/30/405445630.db2.gz HRWKPPFRAWTLLX-UHFFFAOYSA-N 0 3 317.477 2.393 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000448918779 405464123 /nfs/dbraw/zinc/46/41/23/405464123.db2.gz VIMRAHWHWYCFJE-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C[C@H]1COCCN1C1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000577623471 405481337 /nfs/dbraw/zinc/48/13/37/405481337.db2.gz QJUNSBCVTHSVSC-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000492915597 405519205 /nfs/dbraw/zinc/51/92/05/405519205.db2.gz ZPPFATFAOXRIHS-RCCFBDPRSA-N 0 3 316.445 2.257 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000556798011 405534265 /nfs/dbraw/zinc/53/42/65/405534265.db2.gz CRTNXKOLZUFVCY-ADEWGFFLSA-N 0 3 307.444 2.066 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000456757342 405551991 /nfs/dbraw/zinc/55/19/91/405551991.db2.gz HWYHXRIQLLQXCO-IAGOWNOFSA-N 0 3 311.385 2.173 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421709805 405604466 /nfs/dbraw/zinc/60/44/66/405604466.db2.gz HHKHEZXJUKKURB-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)NCC(C)(C)CCC#N)C2)C1 ZINC000458773272 405583585 /nfs/dbraw/zinc/58/35/85/405583585.db2.gz UBKQBFJJIIXUOC-KRWDZBQOSA-N 0 3 306.454 2.444 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)NCC2(CC#N)CC2)o1 ZINC000431212777 405592546 /nfs/dbraw/zinc/59/25/46/405592546.db2.gz XKXSOZJDGAETCI-UHFFFAOYSA-N 0 3 318.421 2.355 20 30 DEEDHN CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccncc1 ZINC000558388360 405652987 /nfs/dbraw/zinc/65/29/87/405652987.db2.gz BJWDFJQXLBFYRK-AEFFLSMTSA-N 0 3 311.385 2.434 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nccnc2SCC)CC1 ZINC000431641942 405653716 /nfs/dbraw/zinc/65/37/16/405653716.db2.gz XZSNLAYLGCIORF-UHFFFAOYSA-N 0 3 320.462 2.359 20 30 DEEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000458982242 405677030 /nfs/dbraw/zinc/67/70/30/405677030.db2.gz AHGSCYIEAUIOIR-HNNXBMFYSA-N 0 3 322.497 2.009 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCC)CCN1CCCCC1 ZINC000459014360 405694339 /nfs/dbraw/zinc/69/43/39/405694339.db2.gz FIUBJMNCPRXBGA-CVEARBPZSA-N 0 3 309.454 2.237 20 30 DEEDHN CCOc1cccc(CCC(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000528912130 405743307 /nfs/dbraw/zinc/74/33/07/405743307.db2.gz BLOALRLDMWFHAC-MRXNPFEDSA-N 0 3 314.385 2.349 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)c1 ZINC000528917264 405743776 /nfs/dbraw/zinc/74/37/76/405743776.db2.gz GGGGBDBNULCYJP-HNNXBMFYSA-N 0 3 324.340 2.188 20 30 DEEDHN Cn1nncc1CNC1CCC(Oc2ccccc2C#N)CC1 ZINC000530952567 405887296 /nfs/dbraw/zinc/88/72/96/405887296.db2.gz UZKVIUMONSLHMW-UHFFFAOYSA-N 0 3 311.389 2.167 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000450323374 405833678 /nfs/dbraw/zinc/83/36/78/405833678.db2.gz HKUBRXMCIUJSOH-RDTXWAMCSA-N 0 3 312.417 2.306 20 30 DEEDHN C[C@@H]1CNC(NN=C2CCCCC[C@@H]2NC(=O)OC(C)(C)C)=N1 ZINC000495236754 405851338 /nfs/dbraw/zinc/85/13/38/405851338.db2.gz IMLVABYOTKBKST-NEPJUHHUSA-N 0 3 323.441 2.137 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495782924 405934571 /nfs/dbraw/zinc/93/45/71/405934571.db2.gz AMGHHJYBPANNLS-MJBXVCDLSA-N 0 3 311.426 2.150 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495785837 405934771 /nfs/dbraw/zinc/93/47/71/405934771.db2.gz KJZLKWFVEQITRH-KGLIPLIRSA-N 0 3 311.426 2.152 20 30 DEEDHN C[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450545837 405949466 /nfs/dbraw/zinc/94/94/66/405949466.db2.gz BRUCURHSUUYOMI-GFCCVEGCSA-N 0 3 300.362 2.387 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1 ZINC000562462907 406013912 /nfs/dbraw/zinc/01/39/12/406013912.db2.gz RIMAGRHJCBFLQY-IJLUTSLNSA-N 0 3 305.328 2.352 20 30 DEEDHN N#CC1(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000562322248 405982988 /nfs/dbraw/zinc/98/29/88/405982988.db2.gz SVBOEJHZQGOHIH-UHFFFAOYSA-N 0 3 312.417 2.254 20 30 DEEDHN C[C@H](CCCOc1ccccc1C(N)=O)NCC1(C#N)CC1 ZINC000562391444 406000396 /nfs/dbraw/zinc/00/03/96/406000396.db2.gz DLWIBCJLSVELIA-CYBMUJFWSA-N 0 3 301.390 2.226 20 30 DEEDHN C=C(C)CN(Cc1ccccc1)S(=O)(=O)CCCN(C)C ZINC000632292893 406081210 /nfs/dbraw/zinc/08/12/10/406081210.db2.gz QAXPDENDBDKGGD-UHFFFAOYSA-N 0 3 310.463 2.346 20 30 DEEDHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC(CCC#N)CC2)C1(C)C ZINC000515848714 406083003 /nfs/dbraw/zinc/08/30/03/406083003.db2.gz KORDBAYHYBGZKL-PBHICJAKSA-N 0 3 307.438 2.061 20 30 DEEDHN CN(C)CCOc1ccc(CNC[C@@H](C#N)CCC#N)cc1 ZINC000566106886 406085597 /nfs/dbraw/zinc/08/55/97/406085597.db2.gz BNEWOYYRMVDREK-MRXNPFEDSA-N 0 3 300.406 2.160 20 30 DEEDHN C=C[C@](C)(CC)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000634193448 406049144 /nfs/dbraw/zinc/04/91/44/406049144.db2.gz IFXBZZZJANZCME-QGZVFWFLSA-N 0 3 302.422 2.374 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000565541470 406073236 /nfs/dbraw/zinc/07/32/36/406073236.db2.gz SNNJFZLVSYQVDX-AOIWGVFYSA-N 0 3 314.429 2.358 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(O)cc2)cc1 ZINC000472340893 406138903 /nfs/dbraw/zinc/13/89/03/406138903.db2.gz WFNMPLUNTYUUQG-KRWDZBQOSA-N 0 3 319.364 2.305 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc(O)c2)cc1 ZINC000472353959 406141044 /nfs/dbraw/zinc/14/10/44/406141044.db2.gz HLIANZGYJPFQNM-KRWDZBQOSA-N 0 3 319.364 2.305 20 30 DEEDHN CN1CCC[C@@H](CNc2ncncc2C#N)[C@@H]1c1cccs1 ZINC000519547835 406210104 /nfs/dbraw/zinc/21/01/04/406210104.db2.gz ZANUODFHEVWVCU-SWLSCSKDSA-N 0 3 313.430 2.327 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000568723247 406220989 /nfs/dbraw/zinc/22/09/89/406220989.db2.gz UIVFAQKDOQPUGF-CABCVRRESA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000537229449 406286177 /nfs/dbraw/zinc/28/61/77/406286177.db2.gz HIAOXFPGSAACFJ-QFBILLFUSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCSCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488571692 406331995 /nfs/dbraw/zinc/33/19/95/406331995.db2.gz HCQYAILHKZKGAI-SOUVJXGZSA-N 0 3 311.495 2.277 20 30 DEEDHN C=CCN(CC=C)C(=O)CN(CCO)C1CCC(CC)CC1 ZINC000488164810 406299134 /nfs/dbraw/zinc/29/91/34/406299134.db2.gz LAXVFODKLFUKKM-UHFFFAOYSA-N 0 3 308.466 2.450 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(C(=O)OC)cc1 ZINC000489506022 406414252 /nfs/dbraw/zinc/41/42/52/406414252.db2.gz FXTAFTMCFBLVRO-CVEARBPZSA-N 0 3 319.401 2.253 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(OC(C)C)cc2)CC1 ZINC000490574082 406471652 /nfs/dbraw/zinc/47/16/52/406471652.db2.gz BZKUGUXUJKERPJ-UHFFFAOYSA-N 0 3 314.429 2.435 20 30 DEEDHN N#CC1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000571111476 406479565 /nfs/dbraw/zinc/47/95/65/406479565.db2.gz QRIMLFUXKGYVSA-ZDUSSCGKSA-N 0 3 318.446 2.488 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000490656924 406479990 /nfs/dbraw/zinc/47/99/90/406479990.db2.gz OVCXRPFKPQDYBA-MRXNPFEDSA-N 0 3 315.392 2.207 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC1 ZINC000490679961 406481723 /nfs/dbraw/zinc/48/17/23/406481723.db2.gz WDQLDZJQWAYZQO-ZDUSSCGKSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN(CC#CC)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000490676907 406481797 /nfs/dbraw/zinc/48/17/97/406481797.db2.gz ITPCOBGSYGLECO-UHFFFAOYSA-N 0 3 308.425 2.384 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@H](CO)CN1CCCC1)c1ccccc1 ZINC000640321222 406464573 /nfs/dbraw/zinc/46/45/73/406464573.db2.gz CIHGIPJJQDFWEU-ROUUACIJSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CCc2c1cccc2Br ZINC000491148084 406533444 /nfs/dbraw/zinc/53/34/44/406533444.db2.gz UNNLIPVOOUNURL-AWEZNQCLSA-N 0 3 321.218 2.166 20 30 DEEDHN C=CCOCCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640567914 406547704 /nfs/dbraw/zinc/54/77/04/406547704.db2.gz UCAYUDAJRIKTNJ-ZIAGYGMSSA-N 0 3 303.324 2.313 20 30 DEEDHN C#C[C@H](CC)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000491232148 406550010 /nfs/dbraw/zinc/55/00/10/406550010.db2.gz YSIJUUXVGQKZRK-QGZVFWFLSA-N 0 3 313.445 2.405 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccc(Cl)cc2C1 ZINC000491295911 406563558 /nfs/dbraw/zinc/56/35/58/406563558.db2.gz JWEDLCPQBHSVLP-UHFFFAOYSA-N 0 3 305.809 2.320 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)Cc1ccccc1OC ZINC000491483213 406602534 /nfs/dbraw/zinc/60/25/34/406602534.db2.gz ABWYONNHWPBXTA-FOCLMDBBSA-N 0 3 314.429 2.255 20 30 DEEDHN C#C[C@@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000491536115 406613742 /nfs/dbraw/zinc/61/37/42/406613742.db2.gz HWRVABMNWRYYAS-AEFFLSMTSA-N 0 3 315.392 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2cccc(OC)c2)CC1 ZINC000491545383 406616265 /nfs/dbraw/zinc/61/62/65/406616265.db2.gz INBSSMNNULRWBN-FPLPWBNLSA-N 0 3 300.402 2.475 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000491625043 406636852 /nfs/dbraw/zinc/63/68/52/406636852.db2.gz REEMUQNDWSTHTM-SFHVURJKSA-N 0 3 317.408 2.222 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(C)cc1O[C@H](C)CC ZINC000491619423 406634223 /nfs/dbraw/zinc/63/42/23/406634223.db2.gz FEYTVXNVXGVXNE-OAHLLOKOSA-N 0 3 302.418 2.401 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](CC)CC(F)(F)F)CC1 ZINC000491387099 406583268 /nfs/dbraw/zinc/58/32/68/406583268.db2.gz XCRZKMFWCDCWGJ-GFCCVEGCSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000491700487 406676850 /nfs/dbraw/zinc/67/68/50/406676850.db2.gz GIGSWFMUQXNBMF-SFHVURJKSA-N 0 3 314.429 2.266 20 30 DEEDHN C#CCNC(=O)CCNCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000491718381 406686306 /nfs/dbraw/zinc/68/63/06/406686306.db2.gz UNMZLRYNLOIMEL-OAHLLOKOSA-N 0 3 317.433 2.124 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@@H](SCC)C1 ZINC000491717562 406686694 /nfs/dbraw/zinc/68/66/94/406686694.db2.gz RCBPSQDJGWGURY-LSDHHAIUSA-N 0 3 311.495 2.305 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cccc(OCC)c1 ZINC000491723270 406687541 /nfs/dbraw/zinc/68/75/41/406687541.db2.gz BFFDVJDXFOECBN-OAHLLOKOSA-N 0 3 317.433 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000491751384 406701665 /nfs/dbraw/zinc/70/16/65/406701665.db2.gz XWZHCRHWQUERDU-HIFRSBDPSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000491643310 406647528 /nfs/dbraw/zinc/64/75/28/406647528.db2.gz FGFZJJQEYLOAAO-UHFFFAOYSA-N 0 3 314.429 2.435 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640920627 406741669 /nfs/dbraw/zinc/74/16/69/406741669.db2.gz PARRNLUJSYRILI-JSGCOSHPSA-N 0 3 305.426 2.086 20 30 DEEDHN CC(C)=CCC[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000572870508 406755847 /nfs/dbraw/zinc/75/58/47/406755847.db2.gz ROUJGKKLQUAORO-CQSZACIVSA-N 0 3 321.446 2.451 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000491779762 406716184 /nfs/dbraw/zinc/71/61/84/406716184.db2.gz KQLGEEKNRPQHHL-AWEZNQCLSA-N 0 3 305.422 2.163 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1ccc(C)cc1 ZINC000491795416 406723317 /nfs/dbraw/zinc/72/33/17/406723317.db2.gz VVDLQMSYCLHAMV-UHFFFAOYSA-N 0 3 301.434 2.482 20 30 DEEDHN C[C@H]1COC(C)(C)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000573893970 406777825 /nfs/dbraw/zinc/77/78/25/406777825.db2.gz YTVCOYBFRRPRSC-BBRMVZONSA-N 0 3 311.385 2.266 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000577154588 406835554 /nfs/dbraw/zinc/83/55/54/406835554.db2.gz VFXLZYZCPSYLOP-QXSJWSMHSA-N 0 3 309.454 2.282 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000556066630 406860228 /nfs/dbraw/zinc/86/02/28/406860228.db2.gz XWVRBPJZVLYBQJ-SFHVURJKSA-N 0 3 322.449 2.098 20 30 DEEDHN CC#CC[C@@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000641768605 406888480 /nfs/dbraw/zinc/88/84/80/406888480.db2.gz DFIDIYQMCNZQAQ-ZDUSSCGKSA-N 0 3 301.308 2.492 20 30 DEEDHN C=CCn1cc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)nn1 ZINC000647767486 407048805 /nfs/dbraw/zinc/04/88/05/407048805.db2.gz NEYCKRDVNQLFLV-HNNXBMFYSA-N 0 3 313.405 2.017 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C[C@@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000246533348 225227615 /nfs/dbraw/zinc/22/76/15/225227615.db2.gz GRTMMYVSGUPEPS-SOLBZPMBSA-N 0 3 318.465 2.251 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccccc1OCC#N ZINC000247566102 225233268 /nfs/dbraw/zinc/23/32/68/225233268.db2.gz ZZOIAHCACLJDOC-UKRRQHHQSA-N 0 3 301.390 2.001 20 30 DEEDHN N#CCCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000264073540 225301176 /nfs/dbraw/zinc/30/11/76/225301176.db2.gz BPLUOXXBFYRPMW-INIZCTEOSA-N 0 3 300.406 2.254 20 30 DEEDHN Cc1c(C(=O)N[C@@H](CO)CN2CCCCC2)cnn1C(C)(C)C ZINC000330615947 226017016 /nfs/dbraw/zinc/01/70/16/226017016.db2.gz VGLLCVQIEACKDB-CQSZACIVSA-N 0 3 322.453 2.098 20 30 DEEDHN COC[C@]1(C)CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000296715799 226154263 /nfs/dbraw/zinc/15/42/63/226154263.db2.gz NGNGRDXEJZFXFI-QGZVFWFLSA-N 0 3 304.390 2.304 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000338927425 226175375 /nfs/dbraw/zinc/17/53/75/226175375.db2.gz ZZRFFWZIGOAQDB-UONOGXRCSA-N 0 3 319.371 2.265 20 30 DEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](CO)C(C)C)c1C ZINC000362189665 226886426 /nfs/dbraw/zinc/88/64/26/226886426.db2.gz KJXFLNMWDUAKOO-INIZCTEOSA-N 0 3 317.433 2.157 20 30 DEEDHN NC(=O)C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000367984392 227001232 /nfs/dbraw/zinc/00/12/32/227001232.db2.gz WTXGFQZBOKIYFM-ZDUSSCGKSA-N 0 3 310.319 2.254 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(Cc2cccnc2)CC1 ZINC000369751363 227038020 /nfs/dbraw/zinc/03/80/20/227038020.db2.gz WHNUXTJXJGJIIW-HNNXBMFYSA-N 0 3 314.433 2.097 20 30 DEEDHN COCCN(CC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413853794 228386269 /nfs/dbraw/zinc/38/62/69/228386269.db2.gz COYFOYMCWKBIQK-UHFFFAOYSA-N 0 3 315.417 2.285 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)[nH]2)c(F)c1 ZINC000413904081 228395271 /nfs/dbraw/zinc/39/52/71/228395271.db2.gz SOZQHVIXGNOYOM-UHFFFAOYSA-N 0 3 316.336 2.218 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299301064 229037590 /nfs/dbraw/zinc/03/75/90/229037590.db2.gz MYWIKUNSJZTOLS-GVDBMIGSSA-N 0 3 313.401 2.211 20 30 DEEDHN Cc1cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)ncc1C#N ZINC000603117249 422445161 /nfs/dbraw/zinc/44/51/61/422445161.db2.gz OOJYXMUISYIQFL-OAHLLOKOSA-N 0 3 313.405 2.354 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C)c(C#N)cn1 ZINC000603121770 422448703 /nfs/dbraw/zinc/44/87/03/422448703.db2.gz STLMGISIXQAJDE-AWEZNQCLSA-N 0 3 301.394 2.258 20 30 DEEDHN Cc1cc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000516844705 269913714 /nfs/dbraw/zinc/91/37/14/269913714.db2.gz FBFPVXQMKZLMFD-JKSUJKDBSA-N 0 3 306.431 2.312 20 30 DEEDHN C=CCONC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000834937436 649861385 /nfs/dbraw/zinc/86/13/85/649861385.db2.gz NSJNCJUVSAWGIK-UHFFFAOYSA-N 0 3 303.406 2.240 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369696643 424875782 /nfs/dbraw/zinc/87/57/82/424875782.db2.gz XTWYNOVRRYKRIF-CQSZACIVSA-N 0 3 319.453 3.016 20 30 DEEDHN CC(C)CCn1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)n1 ZINC000330786342 424911301 /nfs/dbraw/zinc/91/13/01/424911301.db2.gz NBTLTYYHMHRIEE-AWEZNQCLSA-N 0 3 319.453 2.906 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CCCN(C(C)(C)C)CC2)s1 ZINC000562416393 424892807 /nfs/dbraw/zinc/89/28/07/424892807.db2.gz UXCFVYGQDSLZGA-UHFFFAOYSA-N 0 3 322.478 2.687 20 30 DEEDHN CN1CCC(n2ccc(NCc3ccc(C#N)cc3F)n2)CC1 ZINC000564709200 424903076 /nfs/dbraw/zinc/90/30/76/424903076.db2.gz TUAYRVHDCQSQNN-UHFFFAOYSA-N 0 3 313.380 2.773 20 30 DEEDHN C=CCNc1ncc(C(=O)N(CC)C[C@@H]2CCCN2CC)s1 ZINC000578255785 424957175 /nfs/dbraw/zinc/95/71/75/424957175.db2.gz CHWUWRMMOHTCAI-ZDUSSCGKSA-N 0 3 322.478 2.687 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000594463923 425012646 /nfs/dbraw/zinc/01/26/46/425012646.db2.gz LKKMWAIZEIHPTM-OAHLLOKOSA-N 0 3 317.437 2.882 20 30 DEEDHN N#Cc1cc(N[C@H]2CCN(C3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000443436001 425044615 /nfs/dbraw/zinc/04/46/15/425044615.db2.gz ZOSQZUQQOTZCST-LBPRGKRZSA-N 0 3 323.356 2.663 20 30 DEEDHN C=CCNC(=O)CN1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC000649680845 425063277 /nfs/dbraw/zinc/06/32/77/425063277.db2.gz AUUCLPUFUPTDNL-GVDBMIGSSA-N 0 3 315.461 2.272 20 30 DEEDHN CN1CC=C(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000354586680 425065397 /nfs/dbraw/zinc/06/53/97/425065397.db2.gz AUHYBYVPGXTIOZ-UHFFFAOYSA-N 0 3 323.356 2.688 20 30 DEEDHN C=CCCNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000660579077 425166257 /nfs/dbraw/zinc/16/62/57/425166257.db2.gz UMXRDRVFHLORPR-UHFFFAOYSA-N 0 3 305.422 2.045 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nc(C(F)(F)F)co2)CC1 ZINC000656665451 425154530 /nfs/dbraw/zinc/15/45/30/425154530.db2.gz YTAPBZMCNBNWPS-UHFFFAOYSA-N 0 3 318.299 2.465 20 30 DEEDHN C=CCN(C(=O)NCc1cccc(CN(C)C)c1)[C@H](C)COC ZINC000663678694 425211473 /nfs/dbraw/zinc/21/14/73/425211473.db2.gz RSMQSBWIHMGQIE-OAHLLOKOSA-N 0 3 319.449 2.481 20 30 DEEDHN C=CCCn1cc(CNC[C@@H](c2ccnn2C)C(C)C)nn1 ZINC000657445047 425335029 /nfs/dbraw/zinc/33/50/29/425335029.db2.gz WXCTVCKGQZRORJ-OAHLLOKOSA-N 0 3 302.426 2.117 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2(COC)CCCC2)CC1 ZINC000664016947 425289416 /nfs/dbraw/zinc/28/94/16/425289416.db2.gz SYUOODONPQZPEG-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)[C@H]2CCCCO2)CC1 ZINC000654431209 425352115 /nfs/dbraw/zinc/35/21/15/425352115.db2.gz AKDYTXBYTNHVDS-HZPDHXFCSA-N 0 3 309.454 2.284 20 30 DEEDHN CC[C@@H]1CCCCN1CCNc1ccc(C(=O)OC)nc1C#N ZINC000519638357 267200629 /nfs/dbraw/zinc/20/06/29/267200629.db2.gz BBUFVAJNOKOSHB-CYBMUJFWSA-N 0 3 316.405 2.416 20 30 DEEDHN COCCC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000528573608 267440104 /nfs/dbraw/zinc/44/01/04/267440104.db2.gz LJQTWMGCSMUBLT-QGZVFWFLSA-N 0 3 318.417 2.046 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664806800 425458120 /nfs/dbraw/zinc/45/81/20/425458120.db2.gz OUTFDVGNSWCPEK-PMPSAXMXSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCC1(NCC(=O)N2CC(=O)Nc3ccccc32)CCCC1 ZINC000661862941 425516844 /nfs/dbraw/zinc/51/68/44/425516844.db2.gz JWICDUNSGGEAEK-UHFFFAOYSA-N 0 3 313.401 2.450 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(CN)c1 ZINC000659090869 425527212 /nfs/dbraw/zinc/52/72/12/425527212.db2.gz DUCVJRJPPKANGD-GDBMZVCRSA-N 0 3 315.417 2.335 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(CN)c1 ZINC000659090881 425527297 /nfs/dbraw/zinc/52/72/97/425527297.db2.gz DUCVJRJPPKANGD-GOEBONIOSA-N 0 3 315.417 2.335 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCNc1ccncc1 ZINC000665394930 425561855 /nfs/dbraw/zinc/56/18/55/425561855.db2.gz XNDIQXHGVAIAAP-ZBFHGGJFSA-N 0 3 302.422 2.350 20 30 DEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659373698 425588857 /nfs/dbraw/zinc/58/88/57/425588857.db2.gz UZJLPIUVWGJWIG-CZUORRHYSA-N 0 3 304.390 2.267 20 30 DEEDHN C=CCCC1(CNC(=O)NCC2(O)CCN(C)CC2)CCCC1 ZINC000665587914 425601495 /nfs/dbraw/zinc/60/14/95/425601495.db2.gz DGIGFANTXHHEOH-UHFFFAOYSA-N 0 3 323.481 2.269 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(N)c2)CC1 ZINC000659449986 425606135 /nfs/dbraw/zinc/60/61/35/425606135.db2.gz DHKLMEBUSIAYTP-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CNC1(CO)CCCC1 ZINC000304908100 268100002 /nfs/dbraw/zinc/10/00/02/268100002.db2.gz VANFUEOYRFEXSX-UHFFFAOYSA-N 0 3 307.781 2.045 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)s1 ZINC000528022433 268229543 /nfs/dbraw/zinc/22/95/43/268229543.db2.gz RYNHSSKBNNQKOI-ZDUSSCGKSA-N 0 3 318.446 2.436 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001348688593 1151182443 /nfs/dbraw/zinc/18/24/43/1151182443.db2.gz GFDVDRVJUNWSGE-RDJZCZTQSA-N 0 3 321.465 2.380 20 30 DEEDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000411963546 274086634 /nfs/dbraw/zinc/08/66/34/274086634.db2.gz CKRZPZDXAGFCBP-SJKOYZFVSA-N 0 3 301.390 2.290 20 30 DEEDHN CS[C@H]1CN(c2cc(C)ncc2C#N)C[C@H]1N1CCCC1 ZINC000425246767 274186230 /nfs/dbraw/zinc/18/62/30/274186230.db2.gz WTYBLOQUNWSENC-CVEARBPZSA-N 0 3 302.447 2.278 20 30 DEEDHN CCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354466630 276092728 /nfs/dbraw/zinc/09/27/28/276092728.db2.gz NCBZAWDKWLHMGA-OAHLLOKOSA-N 0 3 322.368 2.449 20 30 DEEDHN CCN(CCCC1(C#N)CCOCC1)C[C@H](O)C(F)(F)F ZINC000337201236 276122704 /nfs/dbraw/zinc/12/27/04/276122704.db2.gz FSMSGGJYVOJBNC-LBPRGKRZSA-N 0 3 308.344 2.332 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000366706049 276870091 /nfs/dbraw/zinc/87/00/91/276870091.db2.gz XOQCWFUASRUXLD-CVEARBPZSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1snnc1C)C(C)C ZINC000190462060 276891419 /nfs/dbraw/zinc/89/14/19/276891419.db2.gz ONJHIBCGEYIMRI-ZDUSSCGKSA-N 0 3 308.451 2.275 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000283811552 277182715 /nfs/dbraw/zinc/18/27/15/277182715.db2.gz CFNFOOGKASDJDR-CJNGLKHVSA-N 0 3 301.365 2.254 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2C)C[C@@H]1N(C)C ZINC000272599287 278149621 /nfs/dbraw/zinc/14/96/21/278149621.db2.gz PGWCBOGVNYETQZ-LSDHHAIUSA-N 0 3 318.446 2.376 20 30 DEEDHN C[C@H](N[C@@H](C)[C@H](C)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271947672 278268142 /nfs/dbraw/zinc/26/81/42/278268142.db2.gz NSBXURJYZPSSOG-IHRRRGAJSA-N 0 3 305.397 2.457 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000175099777 279498920 /nfs/dbraw/zinc/49/89/20/279498920.db2.gz CISVRCIJVCQECH-KRWDZBQOSA-N 0 3 308.385 2.453 20 30 DEEDHN CO[C@H]1C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451487801 294633123 /nfs/dbraw/zinc/63/31/23/294633123.db2.gz FUNNTJKQIRERJP-KGLIPLIRSA-N 0 3 307.438 2.074 20 30 DEEDHN N#CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000273195171 303150649 /nfs/dbraw/zinc/15/06/49/303150649.db2.gz RTFJZLRLOFVBFB-MRXNPFEDSA-N 0 3 300.406 2.426 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(C3CC3)CC2)cc1 ZINC000368330820 303195625 /nfs/dbraw/zinc/19/56/25/303195625.db2.gz MOEBMVJFIMLJHI-KRWDZBQOSA-N 0 3 300.402 2.420 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2c(C)noc2C)C[C@@H]1C ZINC001328283815 1148765114 /nfs/dbraw/zinc/76/51/14/1148765114.db2.gz MNJUVPBWSBULOV-BBRMVZONSA-N 0 3 317.433 2.216 20 30 DEEDHN Cn1cncc1CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000574820530 326190478 /nfs/dbraw/zinc/19/04/78/326190478.db2.gz SBYYRKNUZWMKTM-UHFFFAOYSA-N 0 3 323.444 2.437 20 30 DEEDHN CCO[C@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)C12CCC2 ZINC000584113935 331832238 /nfs/dbraw/zinc/83/22/38/331832238.db2.gz QEIKQXDSNMAYCI-CABCVRRESA-N 0 3 311.389 2.038 20 30 DEEDHN COC1CCN(C2(CNC(=O)[C@]3(C#N)C[C@H]3C)CCCC2)CC1 ZINC000569543719 332132804 /nfs/dbraw/zinc/13/28/04/332132804.db2.gz PFJNXBJUYIARLQ-KDOFPFPSSA-N 0 3 319.449 2.076 20 30 DEEDHN COC1CCN(C2(CNC(=O)[C@@]3(C#N)C[C@@H]3C)CCCC2)CC1 ZINC000569543718 332132854 /nfs/dbraw/zinc/13/28/54/332132854.db2.gz PFJNXBJUYIARLQ-KBXCAEBGSA-N 0 3 319.449 2.076 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(n2)CCC3)CC1 ZINC000560445138 332339674 /nfs/dbraw/zinc/33/96/74/332339674.db2.gz FVBNSZCTFIKWDQ-UHFFFAOYSA-N 0 3 300.406 2.342 20 30 DEEDHN O=C(NCCN[C@@H](c1ccccc1)C1CC1)C1N=CC=CC1=O ZINC000180177289 333159467 /nfs/dbraw/zinc/15/94/67/333159467.db2.gz KVHPQYIJQJNULU-QCPHZMBFSA-N 0 3 311.385 2.254 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCC[C@@H](C)C1 ZINC000344833464 335278935 /nfs/dbraw/zinc/27/89/35/335278935.db2.gz XERBAEXLGKHFJU-ZIAGYGMSSA-N 0 3 310.417 2.144 20 30 DEEDHN CN(C)[C@@H](CNc1ccnc(C#N)n1)c1ccc(Cl)cc1 ZINC000582736161 337127907 /nfs/dbraw/zinc/12/79/07/337127907.db2.gz URFRIQPTRJKABZ-ZDUSSCGKSA-N 0 3 301.781 2.138 20 30 DEEDHN C=CCOC[C@@H](O)CNCCOc1cccc2ccccc21 ZINC000584627905 337376191 /nfs/dbraw/zinc/37/61/91/337376191.db2.gz QCVNRYZKEFEMRN-INIZCTEOSA-N 0 3 301.386 2.372 20 30 DEEDHN COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424167677 337790535 /nfs/dbraw/zinc/79/05/35/337790535.db2.gz HIFJUVFQWLDCOA-YOEHRIQHSA-N 0 3 317.433 2.353 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](CCCC(=O)OC)C2)nn1 ZINC000424169671 337792451 /nfs/dbraw/zinc/79/24/51/337792451.db2.gz IRWSAKFQPSCYGO-GJZGRUSLSA-N 0 3 320.437 2.456 20 30 DEEDHN C=CCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000057440678 337859348 /nfs/dbraw/zinc/85/93/48/337859348.db2.gz ZUWXUTOSJIKMDU-UHFFFAOYSA-N 0 3 316.449 2.074 20 30 DEEDHN CCO[C@@H]1COC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000449718301 338647727 /nfs/dbraw/zinc/64/77/27/338647727.db2.gz PDYGCUMXSTXIRQ-IAGOWNOFSA-N 0 3 304.390 2.263 20 30 DEEDHN CC(C)(C#N)CCN1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000496400889 340004649 /nfs/dbraw/zinc/00/46/49/340004649.db2.gz WNFAKFACBQNOKW-GJZGRUSLSA-N 0 3 323.437 2.296 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496455360 340005802 /nfs/dbraw/zinc/00/58/02/340005802.db2.gz IYTAEVAYCUMVCJ-QLFBSQMISA-N 0 3 310.438 2.255 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496863936 340014844 /nfs/dbraw/zinc/01/48/44/340014844.db2.gz JOBIHNVUJSHKRX-MLGOLLRUSA-N 0 3 307.394 2.148 20 30 DEEDHN CC(C#N)C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496963859 340017085 /nfs/dbraw/zinc/01/70/85/340017085.db2.gz SFEHPSSYNVDLGC-GFCCVEGCSA-N 0 3 307.394 2.006 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000512447578 340362240 /nfs/dbraw/zinc/36/22/40/340362240.db2.gz MOCJLGJGHLWSMO-BHYGNILZSA-N 0 3 314.433 2.418 20 30 DEEDHN CC(C)(C#N)CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000512911775 340383830 /nfs/dbraw/zinc/38/38/30/340383830.db2.gz JZEAXCLUKKYVDP-UHFFFAOYSA-N 0 3 306.454 2.444 20 30 DEEDHN CCC[C@@]1(COC)CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000248730271 341385384 /nfs/dbraw/zinc/38/53/84/341385384.db2.gz KEKUPCZONKJVDH-SJORKVTESA-N 0 3 309.454 2.322 20 30 DEEDHN CCC[C@@]1(COC)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248738278 341385558 /nfs/dbraw/zinc/38/55/58/341385558.db2.gz OFQFEPNHGFVSOE-SJORKVTESA-N 0 3 307.438 2.076 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn3c2C[C@H](C)CC3)CC1 ZINC000567503735 341611078 /nfs/dbraw/zinc/61/10/78/341611078.db2.gz SXCKMLRRFWJNQF-CQSZACIVSA-N 0 3 316.449 2.236 20 30 DEEDHN C[C@H](CNC(=O)CCC(F)F)NCc1ccc(C#N)c(F)c1 ZINC001376771661 1159783184 /nfs/dbraw/zinc/78/31/84/1159783184.db2.gz BXFRLRNWGOLBIT-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1ccc(Cl)cc1OC ZINC001378246797 1152249914 /nfs/dbraw/zinc/24/99/14/1152249914.db2.gz LFVSSGPBYOBRLF-RISCZKNCSA-N 0 3 323.824 2.493 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(COC)cc2)[C@H]1C ZINC001089030239 782124917 /nfs/dbraw/zinc/12/49/17/782124917.db2.gz RTRULTREDSZJTM-PBHICJAKSA-N 0 3 300.402 2.049 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2CCC)CCOCC1 ZINC001377202740 1160031307 /nfs/dbraw/zinc/03/13/07/1160031307.db2.gz TWHYLJGXRTZSTC-ZIAGYGMSSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC001357302134 1152283943 /nfs/dbraw/zinc/28/39/43/1152283943.db2.gz IDZDORRDIOTGTO-KBPBESRZSA-N 0 3 304.390 2.476 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)nnc1C)C1CC1 ZINC001378391469 1152314794 /nfs/dbraw/zinc/31/47/94/1152314794.db2.gz AFRSNNYPSPJCQQ-MRXNPFEDSA-N 0 3 322.840 2.334 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCOC2)CCCCC1 ZINC001378400540 1152317840 /nfs/dbraw/zinc/31/78/40/1152317840.db2.gz QBGJACRKLWCRAF-ZDUSSCGKSA-N 0 3 300.830 2.184 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1ccoc1 ZINC001378530204 1152364031 /nfs/dbraw/zinc/36/40/31/1152364031.db2.gz GSSIMYLYEYQUPN-LBPRGKRZSA-N 0 3 315.348 2.446 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1CCCCCN1CCOCC1CC1 ZINC001329920495 1149014940 /nfs/dbraw/zinc/01/49/40/1149014940.db2.gz JKYIUFLAINFCAJ-GOSISDBHSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001329935608 1149018405 /nfs/dbraw/zinc/01/84/05/1149018405.db2.gz FKGNLCXPKJCVNO-MRXNPFEDSA-N 0 3 316.449 2.001 20 30 DEEDHN CCOc1ccc2c(c1)CN(C(=O)[C@@H](N)CCCCC#N)CC2 ZINC001329933898 1149019010 /nfs/dbraw/zinc/01/90/10/1149019010.db2.gz ORPBJCRJBDYAMS-KRWDZBQOSA-N 0 3 315.417 2.381 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cccc1 ZINC001329938965 1149019545 /nfs/dbraw/zinc/01/95/45/1149019545.db2.gz SHKCVAUGYYBZQM-SJORKVTESA-N 0 3 301.434 2.433 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)OCc2ccccc2)C1 ZINC001330012444 1149034175 /nfs/dbraw/zinc/03/41/75/1149034175.db2.gz HZQBALQVQSZLKY-CVEARBPZSA-N 0 3 314.429 2.052 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(N(C)CC)cc2)[C@H]1C ZINC001089073664 782150676 /nfs/dbraw/zinc/15/06/76/782150676.db2.gz RVSJLWVPMCUISW-QAPCUYQASA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001330047982 1149041103 /nfs/dbraw/zinc/04/11/03/1149041103.db2.gz NAMHHOIERHHKGK-YXJHDRRASA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001330073046 1149045572 /nfs/dbraw/zinc/04/55/72/1149045572.db2.gz YSFSUWPGCIUCDA-GJZGRUSLSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CN(C[C@H]2CCCCO2)CC1(C)C ZINC001330188969 1149064882 /nfs/dbraw/zinc/06/48/82/1149064882.db2.gz BBJHWVXRRLQYLG-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)C(F)F)C(C)(C)C1 ZINC001330230548 1149075471 /nfs/dbraw/zinc/07/54/71/1149075471.db2.gz PVKVVOOVLFDXFR-GFCCVEGCSA-N 0 3 318.408 2.307 20 30 DEEDHN COc1cc(CN2CCC[C@@H](CCC(N)=O)C2)ccc1C#N ZINC000442873996 533803583 /nfs/dbraw/zinc/80/35/83/533803583.db2.gz AMANGCZZXVNYMW-ZDUSSCGKSA-N 0 3 301.390 2.044 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ncc(C#N)cc1Cl ZINC000427909565 533830675 /nfs/dbraw/zinc/83/06/75/533830675.db2.gz CANRUVYDSZIJQC-NEPJUHHUSA-N 0 3 320.824 2.457 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC001441347215 1181951165 /nfs/dbraw/zinc/95/11/65/1181951165.db2.gz UATIYDFEPIZMFJ-XYPYZODXSA-N 0 3 313.195 2.286 20 30 DEEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000452360717 534514039 /nfs/dbraw/zinc/51/40/39/534514039.db2.gz IYXRXXHIBRXRRU-WMZOPIPTSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000454755716 534602818 /nfs/dbraw/zinc/60/28/18/534602818.db2.gz HHBNXXKVHGNHKJ-OIISXLGYSA-N 0 3 317.433 2.150 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000451609850 534610345 /nfs/dbraw/zinc/61/03/45/534610345.db2.gz WMXHYZJZFQGVBZ-NFAWXSAZSA-N 0 3 304.390 2.264 20 30 DEEDHN N#CCSCCCN1CCCN(c2ncccc2F)CC1 ZINC000375534921 534706531 /nfs/dbraw/zinc/70/65/31/534706531.db2.gz RKBPHHLRZVPWMR-UHFFFAOYSA-N 0 3 308.426 2.380 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000331195740 534740193 /nfs/dbraw/zinc/74/01/93/534740193.db2.gz WWPNJBVUCUZGBC-LSDHHAIUSA-N 0 3 322.355 2.235 20 30 DEEDHN N#Cc1c(Cl)cccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000297598217 534761854 /nfs/dbraw/zinc/76/18/54/534761854.db2.gz UQDFCWTZLGNINZ-ZDUSSCGKSA-N 0 3 305.809 2.370 20 30 DEEDHN CC#CCN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000159256112 526362341 /nfs/dbraw/zinc/36/23/41/526362341.db2.gz IOSIOOMCHBEXQF-UHFFFAOYSA-N 0 3 302.393 2.486 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000375861794 526571877 /nfs/dbraw/zinc/57/18/77/526571877.db2.gz PBAMKHXWBGDWGR-BRWVUGGUSA-N 0 3 302.418 2.230 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OC)C[C@H]2C)CC1 ZINC000441188874 526586950 /nfs/dbraw/zinc/58/69/50/526586950.db2.gz MGKPCFUOLNEZOF-ZBFHGGJFSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)COCC)CC1 ZINC000341317884 526588834 /nfs/dbraw/zinc/58/88/34/526588834.db2.gz WBXXIBZWAODOEU-UHFFFAOYSA-N 0 3 311.470 2.389 20 30 DEEDHN C=C(C)CS(=O)(=O)NC1CCN(C2CCCCC2)CC1 ZINC000189687483 526680440 /nfs/dbraw/zinc/68/04/40/526680440.db2.gz BMHZYFUYXCAUJJ-UHFFFAOYSA-N 0 3 300.468 2.279 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000189810023 526686756 /nfs/dbraw/zinc/68/67/56/526686756.db2.gz URQAOOPCVZGCJW-ZIAGYGMSSA-N 0 3 300.468 2.135 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000352465030 526735449 /nfs/dbraw/zinc/73/54/49/526735449.db2.gz BURFYFHZJRGCKZ-CABCVRRESA-N 0 3 312.479 2.007 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000296811707 526807214 /nfs/dbraw/zinc/80/72/14/526807214.db2.gz ISCDQYBTPLGOJI-INIZCTEOSA-N 0 3 302.422 2.129 20 30 DEEDHN C=CCOc1ccc(CN[C@@H](CO)CC(F)F)cc1OC ZINC000428654801 526889418 /nfs/dbraw/zinc/88/94/18/526889418.db2.gz ZJVVBRDRPMTLRG-GFCCVEGCSA-N 0 3 301.333 2.366 20 30 DEEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)c1 ZINC000374581220 526903239 /nfs/dbraw/zinc/90/32/39/526903239.db2.gz ZNHHMTCIOABQBT-IAGOWNOFSA-N 0 3 300.402 2.494 20 30 DEEDHN C#CCN1CCC(C(=O)NC2CCC3(CCOCC3)CC2)CC1 ZINC000378040578 526924186 /nfs/dbraw/zinc/92/41/86/526924186.db2.gz SXGYYINVUXCNKC-UHFFFAOYSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCSCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000299306929 526995386 /nfs/dbraw/zinc/99/53/86/526995386.db2.gz HZCNXPOHVQULPB-MRXNPFEDSA-N 0 3 319.474 2.479 20 30 DEEDHN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411489481 527143747 /nfs/dbraw/zinc/14/37/47/527143747.db2.gz KRSYQWZARZSCLT-HNNXBMFYSA-N 0 3 317.433 2.466 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000352236901 527283103 /nfs/dbraw/zinc/28/31/03/527283103.db2.gz GCPZKPUARDSTTN-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370503641 527395289 /nfs/dbraw/zinc/39/52/89/527395289.db2.gz WBOYQIWBQPPLDE-HUUCEWRRSA-N 0 3 318.417 2.323 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418358538 527431044 /nfs/dbraw/zinc/43/10/44/527431044.db2.gz RPCHGOFPOJJNFD-DLBZAZTESA-N 0 3 319.449 2.436 20 30 DEEDHN C=CCC[C@@H](O)CN1[C@H](C)CN(C[C@@H](O)CCC=C)C[C@@H]1C ZINC000193258679 527457482 /nfs/dbraw/zinc/45/74/82/527457482.db2.gz OVVPVQKGHAEBDZ-XWTMOSNGSA-N 0 3 310.482 2.035 20 30 DEEDHN C=CCN(C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190728513 527563920 /nfs/dbraw/zinc/56/39/20/527563920.db2.gz HFOSMNKYVOMAGY-QGZVFWFLSA-N 0 3 317.433 2.105 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)nn1)C(C)C ZINC000411367466 527647305 /nfs/dbraw/zinc/64/73/05/527647305.db2.gz LJHXSAFJPCHZEE-INIZCTEOSA-N 0 3 302.422 2.213 20 30 DEEDHN CCCCCCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000368047870 528136132 /nfs/dbraw/zinc/13/61/32/528136132.db2.gz VHINSWJOJOUAQN-OAHLLOKOSA-N 0 3 302.484 2.314 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000249474183 528418914 /nfs/dbraw/zinc/41/89/14/528418914.db2.gz VAMJFBRZONAZAJ-YQQAZPJKSA-N 0 3 309.454 2.224 20 30 DEEDHN CC1(C)CN(CC(=O)N(CCC#N)CCC#N)[C@H]2CCC[C@H]21 ZINC000339710656 529112729 /nfs/dbraw/zinc/11/27/29/529112729.db2.gz IOLQKKMJXWRUMN-CABCVRRESA-N 0 3 302.422 2.153 20 30 DEEDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000330613469 529150700 /nfs/dbraw/zinc/15/07/00/529150700.db2.gz SDOPKYSVJZPJBE-ZDUSSCGKSA-N 0 3 318.396 2.028 20 30 DEEDHN CC[C@@H](C(=O)NCc1ccc(OCC#N)cc1)N(CC)CC ZINC000266780255 529285527 /nfs/dbraw/zinc/28/55/27/529285527.db2.gz AKLZILJEFYRADR-INIZCTEOSA-N 0 3 303.406 2.326 20 30 DEEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492931790 535230401 /nfs/dbraw/zinc/23/04/01/535230401.db2.gz RBZDCDWTFSIBHK-STQMWFEESA-N 0 3 309.410 2.394 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C#N)[nH]1 ZINC000458213764 535870327 /nfs/dbraw/zinc/87/03/27/535870327.db2.gz CNUKYTRQHFGGIL-UHFFFAOYSA-N 0 3 302.403 2.152 20 30 DEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000246337309 536420291 /nfs/dbraw/zinc/42/02/91/536420291.db2.gz UCNCHFURNRQGRV-SJLPKXTDSA-N 0 3 310.401 2.335 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835061720 649874037 /nfs/dbraw/zinc/87/40/37/649874037.db2.gz NKNUZNXGXOKVLD-IJLUTSLNSA-N 0 3 310.275 2.210 20 30 DEEDHN C/C=C/COc1cccc(CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000835065892 649874551 /nfs/dbraw/zinc/87/45/51/649874551.db2.gz UORAAHZAHOGTFO-APHBUQMISA-N 0 3 314.385 2.417 20 30 DEEDHN C=CCCCCn1c(C)nnc1N1CCN(CC2CC2)CC1 ZINC001359198028 1152558311 /nfs/dbraw/zinc/55/83/11/1152558311.db2.gz GLXDKDPOMXRSLD-UHFFFAOYSA-N 0 3 303.454 2.475 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1csc(CC)n1 ZINC001368757441 1148641034 /nfs/dbraw/zinc/64/10/34/1148641034.db2.gz ZOLRAXZLYZVTHL-NSHDSACASA-N 0 3 315.870 2.485 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN(C)C(C)C)[C@@H]1C ZINC001379650749 1152664670 /nfs/dbraw/zinc/66/46/70/1152664670.db2.gz IWADZDBREBUTLI-UONOGXRCSA-N 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C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC000970012429 623052690 /nfs/dbraw/zinc/05/26/90/623052690.db2.gz MDWKZPUCEWKHFT-UKRRQHHQSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001020682191 623066470 /nfs/dbraw/zinc/06/64/70/623066470.db2.gz NDNIVNSBZALRLX-MGCOHNPYSA-N 0 3 315.204 2.041 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccnc3ccccc32)C1 ZINC000970081918 623100982 /nfs/dbraw/zinc/10/09/82/623100982.db2.gz IYUBNNDWJCMJPJ-CQSZACIVSA-N 0 3 307.397 2.308 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)ccc2OC)C1 ZINC000970090745 623106812 /nfs/dbraw/zinc/10/68/12/623106812.db2.gz UNKBFROCIPDIKC-AWEZNQCLSA-N 0 3 300.402 2.077 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC001020998354 623255278 /nfs/dbraw/zinc/25/52/78/623255278.db2.gz FBVFMDRZIIGEDA-JOCQHMNTSA-N 0 3 320.824 2.265 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccn(C(C)C)c2C)C1 ZINC000970315289 623394724 /nfs/dbraw/zinc/39/47/24/623394724.db2.gz 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C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2scnc2C)C1 ZINC001021524148 623701905 /nfs/dbraw/zinc/70/19/05/623701905.db2.gz WQKZKUQNEOJSFC-ZIAGYGMSSA-N 0 3 303.431 2.011 20 30 DEEDHN Cc1ocnc1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026717125 625674333 /nfs/dbraw/zinc/67/43/33/625674333.db2.gz STKYFEYYKZVSAS-CQSZACIVSA-N 0 3 324.384 2.107 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC000970814984 623704655 /nfs/dbraw/zinc/70/46/55/623704655.db2.gz VTMGMMUCYWBNKF-AWEZNQCLSA-N 0 3 318.465 2.474 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cnc(C)s2)C1 ZINC001021539708 623719960 /nfs/dbraw/zinc/71/99/60/623719960.db2.gz DPCMFZCARUKGGY-KGLIPLIRSA-N 0 3 303.431 2.011 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccnc(F)c2)C1 ZINC001021541129 623722397 /nfs/dbraw/zinc/72/23/97/623722397.db2.gz JUFDKVZLRHDZOP-HZPDHXFCSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C)c(C)o2)C1 ZINC001021567646 623768223 /nfs/dbraw/zinc/76/82/23/623768223.db2.gz 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623869024 /nfs/dbraw/zinc/86/90/24/623869024.db2.gz HRMVHVOAZNQGKY-AEFFLSMTSA-N 0 3 311.429 2.204 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3nc[nH]c32)C1 ZINC001021697762 623978523 /nfs/dbraw/zinc/97/85/23/623978523.db2.gz VINGYOZNHGPTKF-YOEHRIQHSA-N 0 3 322.412 2.123 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000971084006 623983182 /nfs/dbraw/zinc/98/31/82/623983182.db2.gz APJSLPNYAVMJDK-QGZVFWFLSA-N 0 3 322.412 2.243 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCc2nccs2)C1 ZINC001021742193 624027670 /nfs/dbraw/zinc/02/76/70/624027670.db2.gz KFVINAWSZQVLMP-GJZGRUSLSA-N 0 3 317.458 2.022 20 30 DEEDHN Cc1ocnc1C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971173421 624057286 /nfs/dbraw/zinc/05/72/86/624057286.db2.gz CRASPSMMAFOJBU-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](CNCc2csc(C3CC3)n2)C1 ZINC001026733079 625701174 /nfs/dbraw/zinc/70/11/74/625701174.db2.gz RFZBFASSXOVDDN-NEPJUHHUSA-N 0 3 318.446 2.118 20 30 DEEDHN C=CCN1CC[C@H](N[C@@](C)(CO)Cc2ccc(Cl)cc2)C1=O ZINC000933444180 624460733 /nfs/dbraw/zinc/46/07/33/624460733.db2.gz VNMVTZLEGKNIOC-DOTOQJQBSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3c2COCC3)C1 ZINC001022188278 624494172 /nfs/dbraw/zinc/49/41/72/624494172.db2.gz BRVXJXWPYJGPMM-OKILXGFUSA-N 0 3 320.820 2.362 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC000971781374 624544675 /nfs/dbraw/zinc/54/46/75/624544675.db2.gz INSZCUGDUBALFN-CQSZACIVSA-N 0 3 307.825 2.305 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc3cnccc32)C1 ZINC000971788918 624548167 /nfs/dbraw/zinc/54/81/67/624548167.db2.gz SHHUKGLKPWIYBC-QGZVFWFLSA-N 0 3 309.413 2.496 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001022280661 624549291 /nfs/dbraw/zinc/54/92/91/624549291.db2.gz NGEVUBGSLBAPJH-RTXFEEFZSA-N 0 3 322.840 2.068 20 30 DEEDHN C#CCN(C(=O)NC[C@@]12C[C@@H]1CCCC2)C1CCN(C)CC1 ZINC000924379388 624616383 /nfs/dbraw/zinc/61/63/83/624616383.db2.gz 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ZINC001022674447 624813058 /nfs/dbraw/zinc/81/30/58/624813058.db2.gz ALGUAEAMPDIMJN-KFWWJZLASA-N 0 3 314.433 2.439 20 30 DEEDHN COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051650959 624879117 /nfs/dbraw/zinc/87/91/17/624879117.db2.gz BEFHHNVXDVMZBI-OAHLLOKOSA-N 0 3 300.358 2.005 20 30 DEEDHN COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051650960 624879213 /nfs/dbraw/zinc/87/92/13/624879213.db2.gz BEFHHNVXDVMZBI-HNNXBMFYSA-N 0 3 300.358 2.005 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3ccncc3)on2)C1 ZINC000972201767 624887655 /nfs/dbraw/zinc/88/76/55/624887655.db2.gz FBAZCQAVBGQGOE-AWEZNQCLSA-N 0 3 312.373 2.069 20 30 DEEDHN C#C[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1OC ZINC000934510506 624899311 /nfs/dbraw/zinc/89/93/11/624899311.db2.gz XGRYIKHESNZRGZ-DLBZAZTESA-N 0 3 303.402 2.060 20 30 DEEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1cnn(CC2CCC2)c1 ZINC000934562247 624921406 /nfs/dbraw/zinc/92/14/06/624921406.db2.gz OMJGADURJNLXRE-AWEZNQCLSA-N 0 3 317.437 2.096 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001022835843 624945461 /nfs/dbraw/zinc/94/54/61/624945461.db2.gz HPKKABJNMFZSTJ-QNWHQSFQSA-N 0 3 313.239 2.178 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000177601993 625025503 /nfs/dbraw/zinc/02/55/03/625025503.db2.gz FHYLEDBINQSCBO-FZMZJTMJSA-N 0 3 318.348 2.268 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2CC[C@H](C)F)nc1 ZINC001024764111 625045062 /nfs/dbraw/zinc/04/50/62/625045062.db2.gz MWNWLZIOZSFWFF-GOEBONIOSA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001024775772 625052233 /nfs/dbraw/zinc/05/22/33/625052233.db2.gz HWINFAQNBCCWCM-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001027677892 634431928 /nfs/dbraw/zinc/43/19/28/634431928.db2.gz FDQRKOHXIBMBRZ-LJQANCHMSA-N 0 3 310.441 2.274 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccnc1OCC ZINC001024782102 625054184 /nfs/dbraw/zinc/05/41/84/625054184.db2.gz GVGWECZYPHYVHV-HNNXBMFYSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001024788947 625057766 /nfs/dbraw/zinc/05/77/66/625057766.db2.gz PSYXBUGGZYLBIQ-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC001025981267 625101892 /nfs/dbraw/zinc/10/18/92/625101892.db2.gz SKRACPTXNLTLFA-FHUSYTEZSA-N 0 3 302.340 2.197 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892550279 625141336 /nfs/dbraw/zinc/14/13/36/625141336.db2.gz DUCOTDKSEHUYBA-STQMWFEESA-N 0 3 313.357 2.078 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C[C@@H]1C ZINC000947543137 625171379 /nfs/dbraw/zinc/17/13/79/625171379.db2.gz PZFBSBLOWCRTJU-RYUDHWBXSA-N 0 3 305.447 2.401 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001007780080 625171512 /nfs/dbraw/zinc/17/15/12/625171512.db2.gz DXNZXGZMYXXPKH-LLVKDONJSA-N 0 3 308.813 2.321 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC000998899296 634439795 /nfs/dbraw/zinc/43/97/95/634439795.db2.gz DVVPHAZKILHPGI-RUXDESIVSA-N 0 3 322.840 2.092 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@]3(C2)CN(CC(C)C)CCO3)C1 ZINC000972542024 625211509 /nfs/dbraw/zinc/21/15/09/625211509.db2.gz FENBKBDJWORUMF-GOSISDBHSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cnc3ccccc3n2)C1 ZINC001023414274 625260284 /nfs/dbraw/zinc/26/02/84/625260284.db2.gz PJUFQHCLSCXZRZ-AWEZNQCLSA-N 0 3 310.401 2.258 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cncnc1C ZINC001025205236 625260820 /nfs/dbraw/zinc/26/08/20/625260820.db2.gz SVKZZTDLTIVTPR-IRXDYDNUSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001023423678 625262248 /nfs/dbraw/zinc/26/22/48/625262248.db2.gz CSWFQZRJMBFHED-INIZCTEOSA-N 0 3 324.428 2.026 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1O ZINC001025201232 625262503 /nfs/dbraw/zinc/26/25/03/625262503.db2.gz KBGFQTFPYOSUQK-IRXDYDNUSA-N 0 3 312.413 2.485 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)noc2C2CC2)C[C@H]1C ZINC000947555323 625264645 /nfs/dbraw/zinc/26/46/45/625264645.db2.gz JMOLJXORAYOKBK-DOMZBBRYSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001007938525 625266683 /nfs/dbraw/zinc/26/66/83/625266683.db2.gz BVSAMKQRCXJHEM-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001025212601 625268006 /nfs/dbraw/zinc/26/80/06/625268006.db2.gz XYMAJWUYPYYOTC-SJORKVTESA-N 0 3 314.433 2.201 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(F)nc1 ZINC001025207182 625269876 /nfs/dbraw/zinc/26/98/76/625269876.db2.gz FSHQVSBBGXEAGT-HOTGVXAUSA-N 0 3 315.392 2.313 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3oc(C)nc32)C1 ZINC001027699071 634452729 /nfs/dbraw/zinc/45/27/29/634452729.db2.gz XACAGSXYJUWQNM-CQSZACIVSA-N 0 3 311.385 2.306 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COC2CCC(C)CC2)C1 ZINC001027700713 634454437 /nfs/dbraw/zinc/45/44/37/634454437.db2.gz DRJWXJDEQPINTP-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@H](NCc2ccnn2C)C1)c1ccccc1 ZINC001019805287 625836654 /nfs/dbraw/zinc/83/66/54/625836654.db2.gz ZEARAEKTRYFIQJ-WMZOPIPTSA-N 0 3 324.428 2.080 20 30 DEEDHN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc2cncn2c1C ZINC001024521151 625842059 /nfs/dbraw/zinc/84/20/59/625842059.db2.gz PJAMGFKPORXIKM-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001024527274 625843213 /nfs/dbraw/zinc/84/32/13/625843213.db2.gz QCMVZQPTDKVBNI-CQSZACIVSA-N 0 3 316.449 2.315 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001019960550 625864250 /nfs/dbraw/zinc/86/42/50/625864250.db2.gz VZFIPOVVGLJYRT-FBUXBERBSA-N 0 3 301.365 2.090 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001024631545 625944458 /nfs/dbraw/zinc/94/44/58/625944458.db2.gz MHISFLVHBBIPIB-AWEZNQCLSA-N 0 3 314.389 2.383 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(F)c(F)cc3Cl)[C@@H]2C1 ZINC000979044687 634484631 /nfs/dbraw/zinc/48/46/31/634484631.db2.gz YFNPFLOTNRDXFU-CNDDSTCGSA-N 0 3 324.758 2.159 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(C)C)s3)[C@@H]2C1 ZINC000979088120 634496532 /nfs/dbraw/zinc/49/65/32/634496532.db2.gz LZQIVVJSWKVXRN-ZSOGYDGISA-N 0 3 302.443 2.412 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)cccc3F)[C@@H]2C1 ZINC000979108295 634503627 /nfs/dbraw/zinc/50/36/27/634503627.db2.gz SZSHIRHOBHPXID-QKDCVEJESA-N 0 3 300.377 2.065 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(C)(F)F)cc3)[C@@H]2C1 ZINC000979129169 634509111 /nfs/dbraw/zinc/50/91/11/634509111.db2.gz SNXZILMNLMOEPW-PHZGNYQRSA-N 0 3 318.367 2.339 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2occ3c2CCOC3)C1 ZINC000999182838 634509505 /nfs/dbraw/zinc/50/95/05/634509505.db2.gz GVHRQKFDOHDJIV-UHFFFAOYSA-N 0 3 324.808 2.297 20 30 DEEDHN CC#CC[C@H](N)C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC001574962437 1069309868 /nfs/dbraw/zinc/30/98/68/1069309868.db2.gz LPIKEYJILDEREU-NEPJUHHUSA-N 0 3 301.415 2.084 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCc3cc(C)ncn3)C2)C1 ZINC000999374200 634571227 /nfs/dbraw/zinc/57/12/27/634571227.db2.gz MZPINHGUEGWVKX-UHFFFAOYSA-N 0 3 314.433 2.220 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn3ccccc23)C1 ZINC000999570325 634633454 /nfs/dbraw/zinc/63/34/54/634633454.db2.gz PLAOSUPUKVGAKJ-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2C1 ZINC000979480870 634654405 /nfs/dbraw/zinc/65/44/05/634654405.db2.gz JBLGFZJNVZDZCZ-DJIMGWMZSA-N 0 3 315.392 2.434 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H](NCc3ccccn3)C2)cc1 ZINC000999872410 634697042 /nfs/dbraw/zinc/69/70/42/634697042.db2.gz QEVKWZAQNNYLAF-IBGZPJMESA-N 0 3 319.408 2.457 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC000999900523 634699396 /nfs/dbraw/zinc/69/93/96/634699396.db2.gz QOJGSCUALCJSMR-HNNXBMFYSA-N 0 3 304.438 2.021 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cnc(C)[nH]3)C[C@@H]2C1 ZINC000979616658 634712664 /nfs/dbraw/zinc/71/26/64/634712664.db2.gz JWEHPJOMCKPVFW-MJBXVCDLSA-N 0 3 322.840 2.301 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cncc(F)c3)CC2)CC1 ZINC001000120269 634754955 /nfs/dbraw/zinc/75/49/55/634754955.db2.gz LQRASHYZAXEPSV-UHFFFAOYSA-N 0 3 315.392 2.218 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3csc(C)n3)CC2)CC1 ZINC001000249947 634823930 /nfs/dbraw/zinc/82/39/30/634823930.db2.gz UOPVHFGZXMVENH-UHFFFAOYSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000836488932 650097868 /nfs/dbraw/zinc/09/78/68/650097868.db2.gz RPEDSVBLUCYVEC-GOSISDBHSA-N 0 3 303.450 2.473 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001024696743 632928478 /nfs/dbraw/zinc/92/84/78/632928478.db2.gz LZLJSDQGZCTRHY-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1scnc1COC ZINC001024697282 632930235 /nfs/dbraw/zinc/93/02/35/632930235.db2.gz UQLAXSRAQYOZEJ-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001024694640 632931229 /nfs/dbraw/zinc/93/12/29/632931229.db2.gz KXAHCPJFDZUACW-ZDUSSCGKSA-N 0 3 320.824 2.046 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001024731261 632952823 /nfs/dbraw/zinc/95/28/23/632952823.db2.gz GALAHBZCDNGXAO-QGZVFWFLSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)C(C)(C)C1 ZINC000974574383 633153356 /nfs/dbraw/zinc/15/33/56/633153356.db2.gz AQJADRPTRLHHHY-MRXNPFEDSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(Cl)cnn2CC)C(C)(C)C1 ZINC000974638869 633198289 /nfs/dbraw/zinc/19/82/89/633198289.db2.gz RXYHMTZXSQEAAU-ZDUSSCGKSA-N 0 3 322.840 2.020 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nncc3ccccc32)C(C)(C)C1 ZINC000974817490 633314718 /nfs/dbraw/zinc/31/47/18/633314718.db2.gz IOZHATIDJZKYLN-INIZCTEOSA-N 0 3 322.412 2.093 20 30 DEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)O ZINC000734149728 633334438 /nfs/dbraw/zinc/33/44/38/633334438.db2.gz HTDJXFBKOLFVOU-LLVKDONJSA-N 0 3 317.414 2.175 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2nnc(C(C)C)[nH]2)C1 ZINC001026994622 633340480 /nfs/dbraw/zinc/34/04/80/633340480.db2.gz VHVIFSOIWMLPFX-ZDUSSCGKSA-N 0 3 319.453 2.078 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3c[nH]nc32)C(C)(C)C1 ZINC000974903097 633366875 /nfs/dbraw/zinc/36/68/75/633366875.db2.gz PKGOXROPVYCWLJ-HNNXBMFYSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3n2CCCC3)C(C)(C)C1 ZINC000974952608 633379213 /nfs/dbraw/zinc/37/92/13/633379213.db2.gz BBTBBJXWUHVZIR-HNNXBMFYSA-N 0 3 316.449 2.236 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001027089334 633430177 /nfs/dbraw/zinc/43/01/77/633430177.db2.gz VJZXDRYPXLFCHF-YOEHRIQHSA-N 0 3 309.413 2.296 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCc3ccccc3C2)CC1 ZINC000735257007 633494641 /nfs/dbraw/zinc/49/46/41/633494641.db2.gz GPKHNBFPLCUDPJ-INIZCTEOSA-N 0 3 310.441 2.253 20 30 DEEDHN C=C1CCC(C(=O)N2CCC(NCc3nccn3C)CC2)CC1 ZINC000996949534 633537821 /nfs/dbraw/zinc/53/78/21/633537821.db2.gz CDICCOCALBHHCE-UHFFFAOYSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC000996958720 633539566 /nfs/dbraw/zinc/53/95/66/633539566.db2.gz ZDXSIXZWIUNPGQ-GOSISDBHSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(N[C@@H](C)c3nnc(C)[nH]3)CC2)C1 ZINC000996973870 633550314 /nfs/dbraw/zinc/55/03/14/633550314.db2.gz OAGTVDJWKIXEMN-LBPRGKRZSA-N 0 3 317.437 2.111 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001027330182 633658215 /nfs/dbraw/zinc/65/82/15/633658215.db2.gz KUQKAMRTZTVHNJ-XJKSGUPXSA-N 0 3 303.381 2.408 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccccc2COC)CC1 ZINC000997202012 633674237 /nfs/dbraw/zinc/67/42/37/633674237.db2.gz YIOMIFIDDWRWKR-OAHLLOKOSA-N 0 3 314.429 2.297 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCN1C ZINC000921580057 633723847 /nfs/dbraw/zinc/72/38/47/633723847.db2.gz CIIZHVSDQLRSIR-BMFZPTHFSA-N 0 3 300.406 2.423 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COc2ccc(F)cc2)cs1 ZINC000921588572 633738224 /nfs/dbraw/zinc/73/82/24/633738224.db2.gz UYBJYRZATUEBAP-CYBMUJFWSA-N 0 3 306.362 2.288 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2oc(CC)nc2C)CC1 ZINC000997382363 633750982 /nfs/dbraw/zinc/75/09/82/633750982.db2.gz CYPNFYZRLKOPOZ-GFCCVEGCSA-N 0 3 303.406 2.009 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2F)C1 ZINC001027422709 633761087 /nfs/dbraw/zinc/76/10/87/633761087.db2.gz MHQJRHVCXIRZQZ-HUUCEWRRSA-N 0 3 318.392 2.149 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2nsc3ccccc32)C1 ZINC001027423440 633762484 /nfs/dbraw/zinc/76/24/84/633762484.db2.gz DUIKPGQWPMBYFM-CYBMUJFWSA-N 0 3 313.426 2.466 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2)C[C@H]1C ZINC000947921991 633776675 /nfs/dbraw/zinc/77/66/75/633776675.db2.gz SUMVOGQQUPWFBD-GDBMZVCRSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001027470843 633848810 /nfs/dbraw/zinc/84/88/10/633848810.db2.gz QEAWAJQPVZVDGC-BBRMVZONSA-N 0 3 316.449 2.076 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001027486107 633874239 /nfs/dbraw/zinc/87/42/39/633874239.db2.gz NFJDXRRSSXYJQP-KRWDZBQOSA-N 0 3 311.429 2.130 20 30 DEEDHN N#Cc1ccccc1CNCC1CCN(C(=O)c2cocn2)CC1 ZINC000997601637 633894417 /nfs/dbraw/zinc/89/44/17/633894417.db2.gz PLDOGEWQVJDTNV-UHFFFAOYSA-N 0 3 324.384 2.188 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000997634586 633906731 /nfs/dbraw/zinc/90/67/31/633906731.db2.gz YGZWNDMVBIDABQ-AWEZNQCLSA-N 0 3 324.428 2.368 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC000997672652 633925211 /nfs/dbraw/zinc/92/52/11/633925211.db2.gz MBXAJFHNKXWKHI-ZDUSSCGKSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3cnccc3n2)CC1 ZINC000997775106 633969021 /nfs/dbraw/zinc/96/90/21/633969021.db2.gz HWUOHILXNGXWCW-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(COC)c2)C(C)(C)C1 ZINC000977444035 633988361 /nfs/dbraw/zinc/98/83/61/633988361.db2.gz MIQDKBHHTDPRRE-KRWDZBQOSA-N 0 3 316.445 2.388 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(F)cccc2F)CC1 ZINC000997845937 634007175 /nfs/dbraw/zinc/00/71/75/634007175.db2.gz GGYNCOZBFLZOBI-LBPRGKRZSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncccc2Cl)C(C)(C)C1 ZINC000977494372 634010236 /nfs/dbraw/zinc/01/02/36/634010236.db2.gz MINDDOYTRCGSIT-ZDUSSCGKSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)nsc2C)CC1 ZINC000997879740 634017362 /nfs/dbraw/zinc/01/73/62/634017362.db2.gz PCAPBTSTQXZNGV-NSHDSACASA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(N(C)C)c2)C(C)(C)C1 ZINC000977509401 634020007 /nfs/dbraw/zinc/02/00/07/634020007.db2.gz BJVZXYAMYSWUQB-KRWDZBQOSA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2OC(C)C)[C@@H](C)C1 ZINC000946418633 634047509 /nfs/dbraw/zinc/04/75/09/634047509.db2.gz FZOXHCIVXNJDJN-HOCLYGCPSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001027541071 634058400 /nfs/dbraw/zinc/05/84/00/634058400.db2.gz JXLBSZWOMLQIQR-IRXDYDNUSA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(F)nc2)CC1 ZINC000997949455 634073818 /nfs/dbraw/zinc/07/38/18/634073818.db2.gz NGKOWMXIHLTRMM-HNNXBMFYSA-N 0 3 303.381 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCCO2)CC1 ZINC000997975188 634088695 /nfs/dbraw/zinc/08/86/95/634088695.db2.gz HZDFCPOVHWZZSV-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ncc(F)cc2F)CC1 ZINC000998044320 634122458 /nfs/dbraw/zinc/12/24/58/634122458.db2.gz GOMIZOXEXBWOGD-AWEZNQCLSA-N 0 3 321.371 2.310 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000998117297 634146256 /nfs/dbraw/zinc/14/62/56/634146256.db2.gz RRXJDNQJEBTQQB-LBPRGKRZSA-N 0 3 324.375 2.297 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000998126303 634147886 /nfs/dbraw/zinc/14/78/86/634147886.db2.gz NTKRTFDELMLQDJ-IKGGRYGDSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2[nH]cnc2CC)CC1 ZINC000998186889 634163035 /nfs/dbraw/zinc/16/30/35/634163035.db2.gz 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/nfs/dbraw/zinc/19/19/45/634191945.db2.gz LCEATXOHYCOBDD-RYUDHWBXSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccn(C)c2)CC[C@@H]1C(F)(F)F ZINC000998258068 634192185 /nfs/dbraw/zinc/19/21/85/634192185.db2.gz PYRLQYMQPRSLBP-QWHCGFSZSA-N 0 3 315.339 2.194 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)noc3C(C)C)[C@@H]2C1 ZINC000978317426 634281045 /nfs/dbraw/zinc/28/10/45/634281045.db2.gz FPKLBPWAMXZLOV-QKDCVEJESA-N 0 3 315.417 2.037 20 30 DEEDHN CC(C)C(=O)N1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000998553243 634324572 /nfs/dbraw/zinc/32/45/72/634324572.db2.gz LRWXBGZWJKXROO-HNNXBMFYSA-N 0 3 303.381 2.434 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C3CCC4(CC4)CC3)[C@@H]2C1 ZINC000978486155 634328073 /nfs/dbraw/zinc/32/80/73/634328073.db2.gz YQEBYTAEOOXUIE-OSYLJGHBSA-N 0 3 300.446 2.274 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001027632049 634345899 /nfs/dbraw/zinc/34/58/99/634345899.db2.gz HEKUFCZJRDNPAA-QZTJIDSGSA-N 0 3 313.445 2.377 20 30 DEEDHN 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C=CCN1CC=C(CNC(=O)c2ccc3c(=O)ccoc3c2)CC1 ZINC001001372771 635481537 /nfs/dbraw/zinc/48/15/37/635481537.db2.gz YUAFMJMBBMBMTL-UHFFFAOYSA-N 0 3 324.380 2.341 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ncccc2OC(C)C)CC1 ZINC001001416578 635491918 /nfs/dbraw/zinc/49/19/18/635491918.db2.gz RUNLXWGCHOIENJ-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2sc(Cl)nc2C)CC1 ZINC001001438772 635504488 /nfs/dbraw/zinc/50/44/88/635504488.db2.gz KZIZYMFOOWFVPR-UHFFFAOYSA-N 0 3 311.838 2.180 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC001001493974 635510290 /nfs/dbraw/zinc/51/02/90/635510290.db2.gz OMOXBMZKROCILR-UHFFFAOYSA-N 0 3 314.433 2.322 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC001001498766 635511460 /nfs/dbraw/zinc/51/14/60/635511460.db2.gz ZHVQAGLJADPPAT-UHFFFAOYSA-N 0 3 313.357 2.081 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000981533196 635519552 /nfs/dbraw/zinc/51/95/52/635519552.db2.gz ZCQIXVQWVDGECC-UHFFFAOYSA-N 0 3 302.422 2.013 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccnc3ccncc32)CC1 ZINC001001688945 635540885 /nfs/dbraw/zinc/54/08/85/635540885.db2.gz FYSZBFCPUFRFGN-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1 ZINC001001695509 635542853 /nfs/dbraw/zinc/54/28/53/635542853.db2.gz FAIWLRFSTNPBSW-UHFFFAOYSA-N 0 3 313.357 2.010 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC001001705417 635544116 /nfs/dbraw/zinc/54/41/16/635544116.db2.gz OQLGFZXGGSWBPA-UHFFFAOYSA-N 0 3 313.376 2.382 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cccc(OC)c2C)CC1 ZINC001001893525 635570883 /nfs/dbraw/zinc/57/08/83/635570883.db2.gz GZYYSQWMEKMBQF-UHFFFAOYSA-N 0 3 300.402 2.079 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H]2CCCN2CCn2cccn2)CC1 ZINC001028115208 635595691 /nfs/dbraw/zinc/59/56/91/635595691.db2.gz AAVFFVBAGADTPQ-QGZVFWFLSA-N 0 3 316.449 2.210 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc3cnccc3c2)CC1 ZINC001002011828 635602317 /nfs/dbraw/zinc/60/23/17/635602317.db2.gz LQHPHKKSOWSYBQ-UHFFFAOYSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ncoc2C(C)(C)C)CC1 ZINC001002029395 635607687 /nfs/dbraw/zinc/60/76/87/635607687.db2.gz HCVSVMIKKNIEIY-UHFFFAOYSA-N 0 3 317.433 2.437 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2coc(-c3ccccc3)n2)CC1 ZINC001002052406 635614482 /nfs/dbraw/zinc/61/44/82/635614482.db2.gz JWSZDWBMSUHVPF-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C3CCCC3)no2)CC1 ZINC001002140700 635630693 /nfs/dbraw/zinc/63/06/93/635630693.db2.gz PUSPXTRDVFTFKV-UHFFFAOYSA-N 0 3 315.417 2.407 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCCO[C@@H]3CC)C2)C1 ZINC000981806046 635662731 /nfs/dbraw/zinc/66/27/31/635662731.db2.gz HFLOODCJXFLVAJ-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCO[C@@H]3C(C)C)C2)C1 ZINC000981807123 635663670 /nfs/dbraw/zinc/66/36/70/635663670.db2.gz WEKZMBBDPDKJPP-JKSUJKDBSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2c(F)cccc2F)CC1 ZINC000981838386 635683222 /nfs/dbraw/zinc/68/32/22/635683222.db2.gz STFOZRUIIDVBPU-UHFFFAOYSA-N 0 3 306.356 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C#CCN1C[C@]2(C)CN(C(=O)c3ccc(F)c(F)c3)C[C@]2(C)C1 ZINC000982296552 635955082 /nfs/dbraw/zinc/95/50/82/635955082.db2.gz UQGFPBPBQIMODR-HDICACEKSA-N 0 3 318.367 2.382 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C)CC=CC1)CCO2 ZINC000949178935 635962717 /nfs/dbraw/zinc/96/27/17/635962717.db2.gz CPDSELFQFKMXLT-UHFFFAOYSA-N 0 3 304.434 2.222 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](O)C2CCCCCCC2)CC1 ZINC000932143793 635984736 /nfs/dbraw/zinc/98/47/36/635984736.db2.gz JQLWDZXTWCFJLC-KRWDZBQOSA-N 0 3 308.466 2.474 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000922246032 636031900 /nfs/dbraw/zinc/03/19/00/636031900.db2.gz CTTVSGAFRPZJIA-ZFWWWQNUSA-N 0 3 306.431 2.230 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001028287684 636058667 /nfs/dbraw/zinc/05/86/67/636058667.db2.gz RLEJIPYOCJASPL-HNNXBMFYSA-N 0 3 300.402 2.376 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001028310568 636122557 /nfs/dbraw/zinc/12/25/57/636122557.db2.gz WNKNOFYYROODGH-QGZVFWFLSA-N 0 3 300.402 2.051 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(OCC)c(OC)c1 ZINC001028309026 636123635 /nfs/dbraw/zinc/12/36/35/636123635.db2.gz OWPRHEAUTMPMNS-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)C3CC=CC3)C2)cc1 ZINC001028455089 636213574 /nfs/dbraw/zinc/21/35/74/636213574.db2.gz PZVPZWUPHPRWNS-QGZVFWFLSA-N 0 3 309.413 2.463 20 30 DEEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)cn2)C1 ZINC000067208378 636278773 /nfs/dbraw/zinc/27/87/73/636278773.db2.gz BZGFLUJSJBVDBH-OAHLLOKOSA-N 0 3 306.369 2.086 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)C3(C(F)(F)F)CC3)C[C@]2(C)C1 ZINC000982591570 636286425 /nfs/dbraw/zinc/28/64/25/636286425.db2.gz WWQBNHQJMAGYPM-OKILXGFUSA-N 0 3 314.351 2.133 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(OC)c(C)c1 ZINC000922630946 636287311 /nfs/dbraw/zinc/28/73/11/636287311.db2.gz TXHCBWMWKBAVBZ-HNNXBMFYSA-N 0 3 317.433 2.319 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)c3cc[nH]c3)C2)cc1 ZINC001028555775 636339357 /nfs/dbraw/zinc/33/93/57/636339357.db2.gz GXVKMCXYKGDKPJ-MRXNPFEDSA-N 0 3 308.385 2.138 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000338333326 636365597 /nfs/dbraw/zinc/36/55/97/636365597.db2.gz VYSIAGYANDFEMT-MAUKXSAKSA-N 0 3 315.417 2.024 20 30 DEEDHN COC(=O)c1cnc(CCNCc2ccc(C#N)c(F)c2)s1 ZINC000922832675 636428793 /nfs/dbraw/zinc/42/87/93/636428793.db2.gz ZEAMDAYNEJAWHY-UHFFFAOYSA-N 0 3 319.361 2.273 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H]1CCCCN1C(C)=O ZINC001004637874 636509251 /nfs/dbraw/zinc/50/92/51/636509251.db2.gz XTHPWMQGMRCRHH-CXAGYDPISA-N 0 3 315.417 2.446 20 30 DEEDHN N#Cc1ccc(F)c(CNC[C@H]2C[C@H](NC(=O)C3CC3)C2)c1 ZINC000982969687 636561157 /nfs/dbraw/zinc/56/11/57/636561157.db2.gz LBZQJXVCURPHKM-NNUKFRKNSA-N 0 3 301.365 2.092 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2csc(C(F)(F)F)c2)C1 ZINC001028657232 636563121 /nfs/dbraw/zinc/56/31/21/636563121.db2.gz XJUSJPLKNJYGPO-SNVBAGLBSA-N 0 3 316.348 2.452 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001028676065 636612704 /nfs/dbraw/zinc/61/27/04/636612704.db2.gz KLXDRGGPSCVEBW-OAHLLOKOSA-N 0 3 311.429 2.035 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C)c3cccnc23)C1 ZINC001028698979 636642663 /nfs/dbraw/zinc/64/26/63/636642663.db2.gz FEEIWNZTLSLRTL-OAHLLOKOSA-N 0 3 307.397 2.228 20 30 DEEDHN CC(C)C(=O)N[C@H]1C[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC000983186831 636660280 /nfs/dbraw/zinc/66/02/80/636660280.db2.gz ZAYXQGXBFLJTHL-CTYIDZIISA-N 0 3 303.381 2.338 20 30 DEEDHN CCN(CCO)c1ccc(C=NN[C@@H]2CCSC2)c(C)c1 ZINC000808003943 636670491 /nfs/dbraw/zinc/67/04/91/636670491.db2.gz ZRPMEZVXLMLTOI-OAHLLOKOSA-N 0 3 307.463 2.243 20 30 DEEDHN Cc1nocc1C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001028775137 636726475 /nfs/dbraw/zinc/72/64/75/636726475.db2.gz MMNAIHMBUSDQKE-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]c(CC(C)C)n2)CC1 ZINC001005397898 636732882 /nfs/dbraw/zinc/73/28/82/636732882.db2.gz UFICYEKWOHFXRO-UHFFFAOYSA-N 0 3 304.438 2.331 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(OC)ns2)CC1 ZINC001005410554 636734388 /nfs/dbraw/zinc/73/43/88/636734388.db2.gz SISGRBKDQDVWGM-UHFFFAOYSA-N 0 3 309.435 2.264 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnc3cc(C)ccn32)CC1 ZINC001005443180 636742095 /nfs/dbraw/zinc/74/20/95/636742095.db2.gz VMXQRJFBNBODRF-UHFFFAOYSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCN1C(=O)C[C@H](N2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000840741020 636756272 /nfs/dbraw/zinc/75/62/72/636756272.db2.gz DFNOMWLYWMZBPA-IRXDYDNUSA-N 0 3 322.408 2.017 20 30 DEEDHN C#CCN1C(=O)C[C@@H](N2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000840741013 636756708 /nfs/dbraw/zinc/75/67/08/636756708.db2.gz DFNOMWLYWMZBPA-DLBZAZTESA-N 0 3 322.408 2.017 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2nccc3cccnc32)CC1 ZINC001005523216 636758508 /nfs/dbraw/zinc/75/85/08/636758508.db2.gz SMILLTSTCYGEIJ-UHFFFAOYSA-N 0 3 310.401 2.352 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001028846593 636786308 /nfs/dbraw/zinc/78/63/08/636786308.db2.gz PQPVVBUXGGTXEI-OAHLLOKOSA-N 0 3 316.449 2.319 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccc3ccncc3n2)CC1 ZINC001005714536 636827143 /nfs/dbraw/zinc/82/71/43/636827143.db2.gz TWVAIHGKYFTUOS-UHFFFAOYSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001029017704 636956518 /nfs/dbraw/zinc/95/65/18/636956518.db2.gz TXJNSXDMYYMRHD-MRXNPFEDSA-N 0 3 313.445 2.216 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(N(C)C)c2)C[C@H]1C ZINC000947971942 637012549 /nfs/dbraw/zinc/01/25/49/637012549.db2.gz VXLAVTHXZVVFFK-WBVHZDCISA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCN(C(=O)N[C@@H](C#C)c1ccccc1)C1CCN(C)CC1 ZINC000923219060 637038458 /nfs/dbraw/zinc/03/84/58/637038458.db2.gz CIUQUJFLUMSOPM-SFHVURJKSA-N 0 3 309.413 2.100 20 30 DEEDHN C#CCN(C(=O)NCCSCCC=C)C1CCN(C)CC1 ZINC000923225144 637042517 /nfs/dbraw/zinc/04/25/17/637042517.db2.gz OXIDJRFTCAJWDH-UHFFFAOYSA-N 0 3 309.479 2.035 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1)C1CCN(C)CC1 ZINC000923385539 637154025 /nfs/dbraw/zinc/15/40/25/637154025.db2.gz AELDYOCAODLXAT-OWCLPIDISA-N 0 3 303.450 2.162 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn(C(F)F)c2)CC1 ZINC001006194949 637272327 /nfs/dbraw/zinc/27/23/27/637272327.db2.gz CRYYQFNMBXVPKT-UHFFFAOYSA-N 0 3 312.364 2.391 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(OC)c(C)c1 ZINC000895057244 637438985 /nfs/dbraw/zinc/43/89/85/637438985.db2.gz TXHCBWMWKBAVBZ-OAHLLOKOSA-N 0 3 317.433 2.319 20 30 DEEDHN N#CCc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000895091633 637544126 /nfs/dbraw/zinc/54/41/26/637544126.db2.gz XJSNTGAARWVCHD-CVEARBPZSA-N 0 3 304.365 2.476 20 30 DEEDHN COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1OC ZINC000895159015 637690585 /nfs/dbraw/zinc/69/05/85/637690585.db2.gz BPMALDVQPUXJKA-DYEKYZERSA-N 0 3 322.405 2.166 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC2CC1CN2C(=O)C1CCC1(C)C ZINC000937546079 637743253 /nfs/dbraw/zinc/74/32/53/637743253.db2.gz ZIYQMAWACORVSM-IHRRRGAJSA-N 0 3 304.434 2.447 20 30 DEEDHN COC(=O)[C@H]1[C@@H](CN(C)CCc2cccc(C#N)c2)C1(F)F ZINC000895451998 638031210 /nfs/dbraw/zinc/03/12/10/638031210.db2.gz OMWDGUCFDZQBTA-ZIAGYGMSSA-N 0 3 308.328 2.087 20 30 DEEDHN C#CCSCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000895465250 638039587 /nfs/dbraw/zinc/03/95/87/638039587.db2.gz ADPXDFFJEGOUQJ-MRXNPFEDSA-N 0 3 302.443 2.306 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNCc3cnoc3C)C2)cc1 ZINC000984515080 638141006 /nfs/dbraw/zinc/14/10/06/638141006.db2.gz MVJBYDYFFPGABV-RZDIXWSQSA-N 0 3 323.396 2.263 20 30 DEEDHN C#CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000895747654 638176080 /nfs/dbraw/zinc/17/60/80/638176080.db2.gz IAAAYWWYMSEVDS-CQSZACIVSA-N 0 3 308.809 2.241 20 30 DEEDHN COCCOc1ccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000895861249 638227285 /nfs/dbraw/zinc/22/72/85/638227285.db2.gz OGCNSWWAXMKKPL-MRXNPFEDSA-N 0 3 312.369 2.433 20 30 DEEDHN CN(CCCC(C)(C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746672371 638368338 /nfs/dbraw/zinc/36/83/38/638368338.db2.gz OCGNVXCLBVIICJ-NSHDSACASA-N 0 3 305.344 2.411 20 30 DEEDHN C#CCOc1ccccc1CN1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000896473438 638533255 /nfs/dbraw/zinc/53/32/55/638533255.db2.gz LWIGFOXZMFQSGN-GDBMZVCRSA-N 0 3 301.386 2.330 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCCCCCC)C1 ZINC000748316358 638540683 /nfs/dbraw/zinc/54/06/83/638540683.db2.gz BLKBHODNIFHPGS-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000896884790 638758855 /nfs/dbraw/zinc/75/88/55/638758855.db2.gz VLFJKWWFIDOPJT-CJNGLKHVSA-N 0 3 303.406 2.495 20 30 DEEDHN CC1(C)O[C@@H]2C[C@@H](NCc3cc(C#N)cnc3Cl)C[C@@H]2O1 ZINC000897050407 639150486 /nfs/dbraw/zinc/15/04/86/639150486.db2.gz PHANVCIEWXFHJG-XYYAHUGASA-N 0 3 307.781 2.379 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000985313930 639263991 /nfs/dbraw/zinc/26/39/91/639263991.db2.gz DNGCAHPTIKDUKP-LBPRGKRZSA-N 0 3 321.446 2.077 20 30 DEEDHN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(OCC#N)cc1 ZINC000753732172 639335763 /nfs/dbraw/zinc/33/57/63/639335763.db2.gz PVLJRVBVDRTIIW-BBRMVZONSA-N 0 3 322.430 2.207 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029679328 639414944 /nfs/dbraw/zinc/41/49/44/639414944.db2.gz ZOYABEPCMOPITF-QWHCGFSZSA-N 0 3 316.430 2.060 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)Cc2cccc(Cl)n2)C1 ZINC001029679248 639415109 /nfs/dbraw/zinc/41/51/09/639415109.db2.gz YIJWPWNDNGISPM-QWHCGFSZSA-N 0 3 320.824 2.175 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN(C)Cc2ocnc2C)C1 ZINC001029803699 639496083 /nfs/dbraw/zinc/49/60/83/639496083.db2.gz QHWQGFRBDYDGOH-CQSZACIVSA-N 0 3 305.422 2.476 20 30 DEEDHN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC000985697830 639589350 /nfs/dbraw/zinc/58/93/50/639589350.db2.gz QQDMUIGAMCJRKI-GFCCVEGCSA-N 0 3 324.856 2.264 20 30 DEEDHN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000985697830 639589354 /nfs/dbraw/zinc/58/93/54/639589354.db2.gz QQDMUIGAMCJRKI-GFCCVEGCSA-N 0 3 324.856 2.264 20 30 DEEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000756233496 639638974 /nfs/dbraw/zinc/63/89/74/639638974.db2.gz 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C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)C1 ZINC000941628618 649062605 /nfs/dbraw/zinc/06/26/05/649062605.db2.gz ZTQKQHMYQRAUFT-ROUUACIJSA-N 0 3 319.493 2.073 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(NC(=O)OC)CC2)cc1 ZINC000827934702 649108199 /nfs/dbraw/zinc/10/81/99/649108199.db2.gz OMVSKVBVAHWEKD-UHFFFAOYSA-N 0 3 316.401 2.409 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C1 ZINC000942040187 649139768 /nfs/dbraw/zinc/13/97/68/649139768.db2.gz HVFMDMWORQWAEQ-UONOGXRCSA-N 0 3 304.438 2.170 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC000942053501 649143908 /nfs/dbraw/zinc/14/39/08/649143908.db2.gz QCRYNTNPZQQIRL-CZUORRHYSA-N 0 3 312.417 2.269 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000942095224 649155002 /nfs/dbraw/zinc/15/50/02/649155002.db2.gz MOZKAFYDRZFQJZ-GOEBONIOSA-N 0 3 314.433 2.072 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C3CC3)n(CC)n2)[C@H](C)C1 ZINC000942115620 649159894 /nfs/dbraw/zinc/15/98/94/649159894.db2.gz 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ZINC000942529887 649235459 /nfs/dbraw/zinc/23/54/59/649235459.db2.gz NKAUSIPIHDNFBA-CZUORRHYSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc3ccncc32)[C@@H](C)C1 ZINC000942529888 649235484 /nfs/dbraw/zinc/23/54/84/649235484.db2.gz NKAUSIPIHDNFBA-XJKSGUPXSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CC3CC3)c2)C[C@@H]1C ZINC000947903254 649237723 /nfs/dbraw/zinc/23/77/23/649237723.db2.gz FVPJPHFXOSQCRE-XJKSGUPXSA-N 0 3 302.422 2.062 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000942542327 649240666 /nfs/dbraw/zinc/24/06/66/649240666.db2.gz CZWRJKPKUAMPFS-WMLDXEAASA-N 0 3 307.397 2.308 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)nc(OC)c2)[C@@H](C)C1 ZINC000942579336 649250557 /nfs/dbraw/zinc/25/05/57/649250557.db2.gz FTJHOCUGJUGBNH-SWLSCSKDSA-N 0 3 303.406 2.025 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)[C@H](C)C1 ZINC000942585205 649255340 /nfs/dbraw/zinc/25/53/40/649255340.db2.gz ATOGNNCDXBZRPJ-QAPCUYQASA-N 0 3 323.440 2.181 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)[C@H](C)C1 ZINC000942721015 649279781 /nfs/dbraw/zinc/27/97/81/649279781.db2.gz KOGRBFCWMDGWLU-APWZRJJASA-N 0 3 323.440 2.136 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@@H](C)C1 ZINC000942892711 649299349 /nfs/dbraw/zinc/29/93/49/649299349.db2.gz GLBYFVPREXOGRC-YJBOKZPZSA-N 0 3 313.445 2.036 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)[C@H](C)C1 ZINC000942936505 649303440 /nfs/dbraw/zinc/30/34/40/649303440.db2.gz CPGJBGPODBITJO-CZUORRHYSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000942939725 649303595 /nfs/dbraw/zinc/30/35/95/649303595.db2.gz QCKYNXHSUBWKTO-YOEHRIQHSA-N 0 3 312.413 2.085 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccncc2Cl)[C@@H](C)C1 ZINC000942960244 649307217 /nfs/dbraw/zinc/30/72/17/649307217.db2.gz RABDATOHZIGRAR-WFASDCNBSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000829769528 649353085 /nfs/dbraw/zinc/35/30/85/649353085.db2.gz WNAJDZSQTVLFFF-OAHLLOKOSA-N 0 3 302.393 2.486 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CCC)c2C)[C@H](C)C1 ZINC000943761137 649423488 /nfs/dbraw/zinc/42/34/88/649423488.db2.gz IAABUJIUICKGGL-CJNGLKHVSA-N 0 3 304.438 2.228 20 30 DEEDHN C#CC1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000830311090 649424485 /nfs/dbraw/zinc/42/44/85/649424485.db2.gz CXCNLCVQLOQWSU-AWEZNQCLSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)[C@H](C)C1 ZINC000943951209 649462899 /nfs/dbraw/zinc/46/28/99/649462899.db2.gz UBXCJHMBNUZEQP-PBHICJAKSA-N 0 3 322.412 2.150 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)[C@H](C)C1 ZINC000944155764 649492671 /nfs/dbraw/zinc/49/26/71/649492671.db2.gz PZPPXKKUSYQNDK-WBVHZDCISA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)[C@H](C)C1 ZINC000944225264 649500449 /nfs/dbraw/zinc/50/04/49/649500449.db2.gz ARVHHNOUWLQADP-HIFRSBDPSA-N 0 3 312.417 2.200 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C)nc2C2CC2)[C@@H](C)C1 ZINC000944530754 649530335 /nfs/dbraw/zinc/53/03/35/649530335.db2.gz FYFOFLABJFUPDW-BLLLJJGKSA-N 0 3 314.433 2.289 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2sc(C)nc2C)[C@H](C)C1 ZINC000944792130 649566883 /nfs/dbraw/zinc/56/68/83/649566883.db2.gz WUKDHJFRBCDSBE-RISCZKNCSA-N 0 3 305.447 2.223 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(COC)cc2)[C@@H](C)C1 ZINC000944891558 649581190 /nfs/dbraw/zinc/58/11/90/649581190.db2.gz UZSCOYGRGWHOEM-MAUKXSAKSA-N 0 3 314.429 2.297 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCCC3)[C@H](C)C1 ZINC000944945594 649590189 /nfs/dbraw/zinc/59/01/89/649590189.db2.gz SJAGQAFZUPCEJW-HIFRSBDPSA-N 0 3 316.449 2.305 20 30 DEEDHN N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000834475984 649804141 /nfs/dbraw/zinc/80/41/41/649804141.db2.gz KMHJPXXYQKKZTL-AWEZNQCLSA-N 0 3 301.365 2.444 20 30 DEEDHN COc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1C#N ZINC000834736780 649838558 /nfs/dbraw/zinc/83/85/58/649838558.db2.gz XCNRBCJXWSTHCO-MRXNPFEDSA-N 0 3 315.417 2.417 20 30 DEEDHN CC[C@@H](C#N)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000845252743 651223531 /nfs/dbraw/zinc/22/35/31/651223531.db2.gz WBHCPIRLXHYGLD-HNNXBMFYSA-N 0 3 315.417 2.326 20 30 DEEDHN N#Cc1cnn2cc(CN3CCC[C@]4(CC4(F)F)C3)cnc12 ZINC000846108289 651308401 /nfs/dbraw/zinc/30/84/01/651308401.db2.gz OHUBUSHNTXJMNE-AWEZNQCLSA-N 0 3 303.316 2.222 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000847257307 651384804 /nfs/dbraw/zinc/38/48/04/651384804.db2.gz WERMGOVRSBTHIR-ROUUACIJSA-N 0 3 312.413 2.445 20 30 DEEDHN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848397896 651456325 /nfs/dbraw/zinc/45/63/25/651456325.db2.gz OHZQVIBUUUWCDW-ZBFHGGJFSA-N 0 3 303.406 2.290 20 30 DEEDHN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000848415806 651457246 /nfs/dbraw/zinc/45/72/46/651457246.db2.gz YLIWBYRDUSRVTJ-GDBMZVCRSA-N 0 3 314.433 2.265 20 30 DEEDHN Cc1ncc(C=CC([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000112484330 651531288 /nfs/dbraw/zinc/53/12/88/651531288.db2.gz XVKJCJZMQKASEH-BTDICHCPSA-N 0 3 312.354 2.207 20 30 DEEDHN Cc1ncc(C=CC(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000112484330 651531290 /nfs/dbraw/zinc/53/12/90/651531290.db2.gz XVKJCJZMQKASEH-BTDICHCPSA-N 0 3 312.354 2.207 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)NCC1CC1 ZINC000849256071 651629242 /nfs/dbraw/zinc/62/92/42/651629242.db2.gz OHYSKCLCSQVYSF-UHFFFAOYSA-N 0 3 316.474 2.206 20 30 DEEDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000855220337 651648801 /nfs/dbraw/zinc/64/88/01/651648801.db2.gz COIVCZLAJMVSMB-GOSISDBHSA-N 0 3 317.408 2.429 20 30 DEEDHN COc1cc(CNC[C@]23OCCC[C@H]2C3(F)F)ccc1C#N ZINC000850379814 651915659 /nfs/dbraw/zinc/91/56/59/651915659.db2.gz GPTUIONRADLXCO-CABCVRRESA-N 0 3 308.328 2.471 20 30 DEEDHN N#Cc1ccc2ncc(CNC[C@]34OCCC[C@H]3C4(F)F)n2c1 ZINC000850378412 651915666 /nfs/dbraw/zinc/91/56/66/651915666.db2.gz CBUNFVIEHUQAHX-HIFRSBDPSA-N 0 3 318.327 2.110 20 30 DEEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1cccc(C)c1)C1CCC1 ZINC000850756577 651981151 /nfs/dbraw/zinc/98/11/51/651981151.db2.gz BKWAJUZEQZKRRY-HOCLYGCPSA-N 0 3 300.358 2.458 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000850759557 651982756 /nfs/dbraw/zinc/98/27/56/651982756.db2.gz KJAWVKZTIOPHOO-CWRNSKLLSA-N 0 3 312.369 2.200 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856814382 651991635 /nfs/dbraw/zinc/99/16/35/651991635.db2.gz CONWKDOLCGSZND-KEYYUXOJSA-N 0 3 323.437 2.294 20 30 DEEDHN N#Cc1cccc(OC2CCN(C[C@H]3CCC(=O)O3)CC2)c1 ZINC000851753461 652226821 /nfs/dbraw/zinc/22/68/21/652226821.db2.gz WFTDMVRFWMBTIH-MRXNPFEDSA-N 0 3 300.358 2.107 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000852099131 652337769 /nfs/dbraw/zinc/33/77/69/652337769.db2.gz FJOYJHBYGGRBJX-QFBILLFUSA-N 0 3 313.445 2.021 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCCCOc1cccc(C)c1 ZINC000852101662 652338779 /nfs/dbraw/zinc/33/87/79/652338779.db2.gz GEJHTLIXGIECSP-SFHVURJKSA-N 0 3 302.418 2.272 20 30 DEEDHN C#CCOCCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000852114597 652343972 /nfs/dbraw/zinc/34/39/72/652343972.db2.gz UGUCZWONRVRKLT-CQSZACIVSA-N 0 3 301.308 2.368 20 30 DEEDHN N#Cc1ncc(Br)cc1N[C@H]1CCN(C2CC2)C1 ZINC000853232320 652527669 /nfs/dbraw/zinc/52/76/69/652527669.db2.gz ZKMPDWCMFIMEMF-JTQLQIEISA-N 0 3 307.195 2.364 20 30 DEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000854057501 652636613 /nfs/dbraw/zinc/63/66/13/652636613.db2.gz MFEIQJGUKQOKBN-MSOLQXFVSA-N 0 3 313.445 2.357 20 30 DEEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000854068583 652637524 /nfs/dbraw/zinc/63/75/24/652637524.db2.gz CHNIYBLMLIDPFN-OAHLLOKOSA-N 0 3 323.387 2.450 20 30 DEEDHN CC[C@@H](CNC(=O)c1nccs1)NCc1ccc(C#N)s1 ZINC001391727114 1156746356 /nfs/dbraw/zinc/74/63/56/1156746356.db2.gz CDPOWQAGFMIWNF-JTQLQIEISA-N 0 3 320.443 2.374 20 30 DEEDHN Cc1ncc(CNC[C@H](CC(C)C)NC(=O)[C@H](C)C#N)s1 ZINC001392149260 1156876375 /nfs/dbraw/zinc/87/63/75/1156876375.db2.gz PKZXGMIRDLOIKF-YPMHNXCESA-N 0 3 308.451 2.232 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001373291133 1156937041 /nfs/dbraw/zinc/93/70/41/1156937041.db2.gz QMYGVKIACZBZNA-GJZGRUSLSA-N 0 3 313.873 2.004 20 30 DEEDHN C=C(Cl)CN(C)CC1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001373321182 1156978368 /nfs/dbraw/zinc/97/83/68/1156978368.db2.gz SEOUZHAEAZZXMX-UHFFFAOYSA-N 0 3 324.856 2.265 20 30 DEEDHN C=C(Cl)CN(C)CC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001373321182 1156978380 /nfs/dbraw/zinc/97/83/80/1156978380.db2.gz SEOUZHAEAZZXMX-UHFFFAOYSA-N 0 3 324.856 2.265 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C(F)F)NCc1ccc(C#N)cc1F ZINC001374406206 1157841922 /nfs/dbraw/zinc/84/19/22/1157841922.db2.gz QTIQLUVHRWVPTM-CYBMUJFWSA-N 0 3 313.323 2.193 20 30 DEEDHN C#CCN(C)CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000385719033 685414850 /nfs/dbraw/zinc/41/48/50/685414850.db2.gz IVHZIHKIIRJXPT-UHFFFAOYSA-N 0 3 311.223 2.199 20 30 DEEDHN C#CC[C@@H](CCOC)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000859027159 685639741 /nfs/dbraw/zinc/63/97/41/685639741.db2.gz YLIWNILRMUIDON-IRXDYDNUSA-N 0 3 317.433 2.017 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nc3ccccn3c2F)CC1 ZINC000081687368 683993418 /nfs/dbraw/zinc/99/34/18/683993418.db2.gz FBUIKNIKULEUAP-UHFFFAOYSA-N 0 3 316.380 2.244 20 30 DEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905775 684063619 /nfs/dbraw/zinc/06/36/19/684063619.db2.gz VUGZGIZIWASZIH-MRXNPFEDSA-N 0 3 314.385 2.253 20 30 DEEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000119645659 684084558 /nfs/dbraw/zinc/08/45/58/684084558.db2.gz WERJTXGNKZKNHQ-IUODEOHRSA-N 0 3 316.357 2.324 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000119623154 684084705 /nfs/dbraw/zinc/08/47/05/684084705.db2.gz MKVMFZSLTBIWRK-STQMWFEESA-N 0 3 316.357 2.324 20 30 DEEDHN Cn1cc(CCC(=O)C(C#N)C(=O)NC2CC2)c2ccccc21 ZINC000120053909 684091168 /nfs/dbraw/zinc/09/11/68/684091168.db2.gz PACOIJPWIIPPHQ-HNNXBMFYSA-N 0 3 309.369 2.098 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC000120064657 684091342 /nfs/dbraw/zinc/09/13/42/684091342.db2.gz NPXSDEBSVSATNA-STQMWFEESA-N 0 3 316.357 2.302 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC000120064801 684091451 /nfs/dbraw/zinc/09/14/51/684091451.db2.gz NPXSDEBSVSATNA-QWHCGFSZSA-N 0 3 316.357 2.302 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121603132 684107377 /nfs/dbraw/zinc/10/73/77/684107377.db2.gz JFTGDZVTKPTZHI-CHWSQXEVSA-N 0 3 322.430 2.492 20 30 DEEDHN COCCN1[C@H](C)CN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000128951317 684175118 /nfs/dbraw/zinc/17/51/18/684175118.db2.gz OYSKZDRRWREEJK-IYBDPMFKSA-N 0 3 304.409 2.218 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCCO1)C2 ZINC001054091356 693839012 /nfs/dbraw/zinc/83/90/12/693839012.db2.gz QSPONVDEUSEQBO-IEBWSBKVSA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1ccoc1)C2 ZINC001054119987 693852380 /nfs/dbraw/zinc/85/23/80/693852380.db2.gz IWMOPZJNCJGMGO-SFHVURJKSA-N 0 3 300.402 2.160 20 30 DEEDHN CN1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000191238176 684423414 /nfs/dbraw/zinc/42/34/14/684423414.db2.gz FTJUILYYPRXGIV-UHFFFAOYSA-N 0 3 310.319 2.267 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)sn1)C2 ZINC001054122996 693854594 /nfs/dbraw/zinc/85/45/94/693854594.db2.gz OETCVWKEGVUDTK-KRWDZBQOSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1onc(C)c1C)C2 ZINC001054150834 693864518 /nfs/dbraw/zinc/86/45/18/693864518.db2.gz UPIZAGIFRPMCAW-SFHVURJKSA-N 0 3 315.417 2.243 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c(C)cncc1C)C2 ZINC001054163705 693867625 /nfs/dbraw/zinc/86/76/25/693867625.db2.gz PEVGYUXDJJUNOM-LJQANCHMSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc3n[nH]cc3c1)C2 ZINC001054185672 693875181 /nfs/dbraw/zinc/87/51/81/693875181.db2.gz HPROXLUGLLHEOC-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3cccnc13)C2 ZINC001054226975 693890011 /nfs/dbraw/zinc/89/00/11/693890011.db2.gz BXGQLCDLLCXBLN-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1nc(C)c(C)s1)C2 ZINC001054240305 693896307 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C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001054633666 694010373 /nfs/dbraw/zinc/01/03/73/694010373.db2.gz AMLWKJOYPIVAOY-SJKOYZFVSA-N 0 3 318.367 2.315 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1ccc(F)c(F)c1 ZINC001054633662 694010421 /nfs/dbraw/zinc/01/04/21/694010421.db2.gz AMLWKJOYPIVAOY-PXAZEXFGSA-N 0 3 318.367 2.315 20 30 DEEDHN Cc1ccc([C@@H](CNC(=O)[C@@]2(C#N)CCCOC2)N(C)C)cc1 ZINC000865030016 686919003 /nfs/dbraw/zinc/91/90/03/686919003.db2.gz XLQWPAYFIRLMNP-SJLPKXTDSA-N 0 3 315.417 2.034 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(COCC)c1 ZINC000930115368 694093858 /nfs/dbraw/zinc/09/38/58/694093858.db2.gz YKQLNYJSAPFFBF-UHFFFAOYSA-N 0 3 303.406 2.300 20 30 DEEDHN CN(CCC#N)c1ccc(CNc2cc3n(n2)CCN(C)C3)cc1 ZINC000865846863 687354036 /nfs/dbraw/zinc/35/40/36/687354036.db2.gz ZQPUYZKVIZWCOC-UHFFFAOYSA-N 0 3 324.432 2.290 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001015758384 687411385 /nfs/dbraw/zinc/41/13/85/687411385.db2.gz 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C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001016443410 687623108 /nfs/dbraw/zinc/62/31/08/687623108.db2.gz LRQXJMOWHZIWBS-CYBMUJFWSA-N 0 3 316.430 2.000 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cccc(CC)n2)CC1 ZINC001016663155 687678196 /nfs/dbraw/zinc/67/81/96/687678196.db2.gz WYWLZZAPQCPMQI-QGZVFWFLSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC001016701415 687685165 /nfs/dbraw/zinc/68/51/65/687685165.db2.gz XNQIPNYXDFQIFH-INIZCTEOSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3c2O[C@@H](C)C3)CC1 ZINC001016732812 687691825 /nfs/dbraw/zinc/69/18/25/687691825.db2.gz CRBIAQZKMXTPBI-WMLDXEAASA-N 0 3 324.424 2.228 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001016803544 687706600 /nfs/dbraw/zinc/70/66/00/687706600.db2.gz QYJAGLLDNVXQPR-MSOLQXFVSA-N 0 3 308.425 2.320 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2sc(C)cc2OC)CC1 ZINC001016861043 687721100 /nfs/dbraw/zinc/72/11/00/687721100.db2.gz 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ZINC000872943442 689125612 /nfs/dbraw/zinc/12/56/12/689125612.db2.gz CHPLHILMZSEPIC-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccccn12 ZINC001032486329 689164389 /nfs/dbraw/zinc/16/43/89/689164389.db2.gz OQDLLNLSBMEJCG-GJZGRUSLSA-N 0 3 310.401 2.199 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCCC2)c1 ZINC001032617052 689203290 /nfs/dbraw/zinc/20/32/90/689203290.db2.gz JDHIMDDWNOLNQY-ROUUACIJSA-N 0 3 309.413 2.152 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C(C)C ZINC001032657613 689214844 /nfs/dbraw/zinc/21/48/44/689214844.db2.gz BUTMOEJANIAEON-HOTGVXAUSA-N 0 3 316.449 2.258 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC=C)cc1 ZINC001032670209 689219432 /nfs/dbraw/zinc/21/94/32/689219432.db2.gz PZRLOQRCBVSYFT-IRXDYDNUSA-N 0 3 310.397 2.173 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001032684297 689224628 /nfs/dbraw/zinc/22/46/28/689224628.db2.gz JWCGKQKKSXXORU-JQFCIGGWSA-N 0 3 312.413 2.485 20 30 DEEDHN CCC#C[C@@H](C)N1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906270 694268086 /nfs/dbraw/zinc/26/80/86/694268086.db2.gz PNSMOTSHDNQHNP-XYPHTWIQSA-N 0 3 301.386 2.383 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)c[nH]c1=O ZINC001032708083 689231849 /nfs/dbraw/zinc/23/18/49/689231849.db2.gz ABPPHNGPUZSQJO-GJZGRUSLSA-N 0 3 315.417 2.215 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)n[nH]c1C ZINC001032777463 689256882 /nfs/dbraw/zinc/25/68/82/689256882.db2.gz CHZKBTVBKMYDLH-HOTGVXAUSA-N 0 3 316.449 2.210 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C3CC3)cnn2C)C1 ZINC001033135005 689400877 /nfs/dbraw/zinc/40/08/77/689400877.db2.gz FYANDTSSPTZJSL-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3c2COCC3)C1 ZINC001033138751 689401948 /nfs/dbraw/zinc/40/19/48/689401948.db2.gz GDOJCMCMYQJPIV-MRXNPFEDSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn(C)c2CCC)C1 ZINC001033224497 689430166 /nfs/dbraw/zinc/43/01/66/689430166.db2.gz GTRYVCSFQZOCPC-CQSZACIVSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2noc3ccccc32)C1 ZINC001033242977 689436481 /nfs/dbraw/zinc/43/64/81/689436481.db2.gz CMKDLWKMBYYPGN-AWEZNQCLSA-N 0 3 313.401 2.479 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccnc2C(F)F)C1 ZINC001033251064 689439273 /nfs/dbraw/zinc/43/92/73/689439273.db2.gz OIETXHVNPOFJLN-GFCCVEGCSA-N 0 3 307.344 2.189 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001033255913 689440691 /nfs/dbraw/zinc/44/06/91/689440691.db2.gz NPITZORYEPKCJO-IXDOHACOSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001033261052 689442603 /nfs/dbraw/zinc/44/26/03/689442603.db2.gz DEMUIQSAHXYJDI-LJQANCHMSA-N 0 3 321.424 2.333 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001033307609 689456019 /nfs/dbraw/zinc/45/60/19/689456019.db2.gz CMUBFRMABXWSLK-QGZVFWFLSA-N 0 3 314.429 2.273 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001033574946 689548748 /nfs/dbraw/zinc/54/87/48/689548748.db2.gz NVUVWWDSEIUIKV-HNNXBMFYSA-N 0 3 304.438 2.495 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001033596922 689554831 /nfs/dbraw/zinc/55/48/31/689554831.db2.gz OAQMJSVSAUJLGO-INIZCTEOSA-N 0 3 318.465 2.171 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ncccc2OC(C)C)C1 ZINC001033624558 689562314 /nfs/dbraw/zinc/56/23/14/689562314.db2.gz NBZRPRPZEAZSNU-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc(OC)c2)C1 ZINC001033634102 689567664 /nfs/dbraw/zinc/56/76/64/689567664.db2.gz BRSAFPWPNSLVBX-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001033653757 689573172 /nfs/dbraw/zinc/57/31/72/689573172.db2.gz WGFZEVJSHMHDIF-CQSZACIVSA-N 0 3 314.389 2.392 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001033715373 689592128 /nfs/dbraw/zinc/59/21/28/689592128.db2.gz NECIXXMPASFLPY-LBPRGKRZSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC001033841865 689634237 /nfs/dbraw/zinc/63/42/37/689634237.db2.gz BUFTZXQDHWBPOL-HNNXBMFYSA-N 0 3 302.422 2.206 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001033848029 689636811 /nfs/dbraw/zinc/63/68/11/689636811.db2.gz IAHLDDMTRKJXQP-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001033868943 689645303 /nfs/dbraw/zinc/64/53/03/689645303.db2.gz WFMDSYLKOYOCEP-OAHLLOKOSA-N 0 3 310.401 2.123 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C[C@@H](C)OC)C2)cc1 ZINC001033922904 689662608 /nfs/dbraw/zinc/66/26/08/689662608.db2.gz NFYHELLFINRWQT-CRAIPNDOSA-N 0 3 314.429 2.239 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033962703 689674732 /nfs/dbraw/zinc/67/47/32/689674732.db2.gz YJZAKSGWCNTFDA-BZUAXINKSA-N 0 3 300.402 2.329 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001034013892 689694002 /nfs/dbraw/zinc/69/40/02/689694002.db2.gz FZXOVCOLPDLXHX-MRXNPFEDSA-N 0 3 302.422 2.024 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001034220736 689768667 /nfs/dbraw/zinc/76/86/67/689768667.db2.gz FZKUJSWMPCMCPC-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001034253665 689783255 /nfs/dbraw/zinc/78/32/55/689783255.db2.gz KZSBJUWUBHGUFF-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034267903 689788023 /nfs/dbraw/zinc/78/80/23/689788023.db2.gz ZPGBQRZCLXTBGO-HNNXBMFYSA-N 0 3 304.438 2.083 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cncc(OC)c2C)C1 ZINC001034270738 689789303 /nfs/dbraw/zinc/78/93/03/689789303.db2.gz FOLCAPXAJITGPT-OAHLLOKOSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001034311324 689805967 /nfs/dbraw/zinc/80/59/67/689805967.db2.gz IXXJAPBVPDKHCE-KRWDZBQOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001034325084 689809564 /nfs/dbraw/zinc/80/95/64/689809564.db2.gz XMFHNALINKLHIA-ZDUSSCGKSA-N 0 3 313.405 2.037 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001034412856 689839888 /nfs/dbraw/zinc/83/98/88/689839888.db2.gz FCXWHSCIONCPSR-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001034446459 689853080 /nfs/dbraw/zinc/85/30/80/689853080.db2.gz QMZFLWCYBBRAGP-INIZCTEOSA-N 0 3 312.417 2.193 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000876555874 689855468 /nfs/dbraw/zinc/85/54/68/689855468.db2.gz GZWAJSDTRLDWMP-ZDUSSCGKSA-N 0 3 321.808 2.331 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000876560292 689856539 /nfs/dbraw/zinc/85/65/39/689856539.db2.gz HKMASGMHXCJVTD-CYBMUJFWSA-N 0 3 307.781 2.004 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCOc1cccc(Cl)c1 ZINC000876604599 689873792 /nfs/dbraw/zinc/87/37/92/689873792.db2.gz LTLDGBRDFVRMAH-LBPRGKRZSA-N 0 3 303.189 2.305 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000876564581 689858980 /nfs/dbraw/zinc/85/89/80/689858980.db2.gz MCVORFVZYDLUCC-GFCCVEGCSA-N 0 3 318.751 2.417 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034467088 689860996 /nfs/dbraw/zinc/86/09/96/689860996.db2.gz JQEHEVVDNWXNPH-INIZCTEOSA-N 0 3 324.428 2.479 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000876572458 689861572 /nfs/dbraw/zinc/86/15/72/689861572.db2.gz DOTIXHPDPANSOE-OAHLLOKOSA-N 0 3 318.808 2.001 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000876585059 689866147 /nfs/dbraw/zinc/86/61/47/689866147.db2.gz XKQSOEVBKJMDCV-LBPRGKRZSA-N 0 3 309.797 2.153 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001034501616 689875444 /nfs/dbraw/zinc/87/54/44/689875444.db2.gz XJIYNDYWXNZKAK-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001034521198 689883788 /nfs/dbraw/zinc/88/37/88/689883788.db2.gz CQUXFHFUXBWLST-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000876639154 689885146 /nfs/dbraw/zinc/88/51/46/689885146.db2.gz BGGCFHUUHMTKFI-NEPJUHHUSA-N 0 3 310.781 2.105 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001034532225 689888320 /nfs/dbraw/zinc/88/83/20/689888320.db2.gz MEGHVXNHCGDEQF-GOEBONIOSA-N 0 3 318.392 2.286 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1F ZINC000876650775 689889058 /nfs/dbraw/zinc/88/90/58/689889058.db2.gz XGDGCVLOTUWJDZ-VIFPVBQESA-N 0 3 302.733 2.251 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001034556755 689898230 /nfs/dbraw/zinc/89/82/30/689898230.db2.gz IHRXVUOSHXYYOP-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000876682067 689900013 /nfs/dbraw/zinc/90/00/13/689900013.db2.gz DNHFHIUTMSKPOF-NEPJUHHUSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000876703494 689909284 /nfs/dbraw/zinc/90/92/84/689909284.db2.gz LQOYPNUQITWGLK-LLVKDONJSA-N 0 3 318.160 2.334 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCn1cnc2ccccc21 ZINC000876712310 689912320 /nfs/dbraw/zinc/91/23/20/689912320.db2.gz FQEUGNLMHDPQFI-GFCCVEGCSA-N 0 3 306.797 2.013 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000876716737 689913910 /nfs/dbraw/zinc/91/39/10/689913910.db2.gz LZWHTCWUMVYPIH-CQSZACIVSA-N 0 3 322.840 2.158 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000876730793 689919253 /nfs/dbraw/zinc/91/92/53/689919253.db2.gz MJXUVGMESCMTME-TZMCWYRMSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876885230 689964259 /nfs/dbraw/zinc/96/42/59/689964259.db2.gz NSXSIXUUHFGAQB-AWEZNQCLSA-N 0 3 308.809 2.357 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H]1CCCN1C(=O)C(C)C ZINC001034865072 689971323 /nfs/dbraw/zinc/97/13/23/689971323.db2.gz PXBQLXKXHGLIJN-MRXNPFEDSA-N 0 3 315.417 2.303 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000876935137 689976929 /nfs/dbraw/zinc/97/69/29/689976929.db2.gz QLTHVIVIZDRRON-QWRGUYRKSA-N 0 3 312.822 2.126 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000876970137 689986255 /nfs/dbraw/zinc/98/62/55/689986255.db2.gz JTGGZRXSYJIHGJ-KGLIPLIRSA-N 0 3 312.772 2.196 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001035035970 690016508 /nfs/dbraw/zinc/01/65/08/690016508.db2.gz SPOLMAZZUDSIIS-RHSMWYFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1CC(C)(C)CO1)CC2 ZINC001035749439 690167655 /nfs/dbraw/zinc/16/76/55/690167655.db2.gz STJFOBYQRLQSOC-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCc3cccnc31)CC2 ZINC001035778480 690173922 /nfs/dbraw/zinc/17/39/22/690173922.db2.gz KKQUQDKKGUTGAN-KRWDZBQOSA-N 0 3 323.440 2.059 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@@H](C)O1)CC2 ZINC001035784585 690175455 /nfs/dbraw/zinc/17/54/55/690175455.db2.gz LKDFJFROWHXJHK-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN CC[C@H](C)[C@@H](CN1CCN(c2ccc(C#N)nc2)CC1)OC ZINC000877645281 690177857 /nfs/dbraw/zinc/17/78/57/690177857.db2.gz HANKFCNQVNVCHH-WMLDXEAASA-N 0 3 302.422 2.136 20 30 DEEDHN CN(C)C[C@H](NC[C@H](O)CC#N)c1ccc(Cl)c(Cl)c1 ZINC000931255444 694349609 /nfs/dbraw/zinc/34/96/09/694349609.db2.gz HFFXQBPMMWYQPT-RISCZKNCSA-N 0 3 316.232 2.460 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1nc(C)c(C)s1)CC2 ZINC001035852101 690193556 /nfs/dbraw/zinc/19/35/56/690193556.db2.gz AEJRHWHRVALSQT-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cnc(CC)s1)CC2 ZINC001035860051 690195660 /nfs/dbraw/zinc/19/56/60/690195660.db2.gz NSFQTJYODDCUKD-UHFFFAOYSA-N 0 3 317.458 2.267 20 30 DEEDHN CSCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001035896754 690210689 /nfs/dbraw/zinc/21/06/89/690210689.db2.gz NERCTYQIMDPBNH-CJNGLKHVSA-N 0 3 317.458 2.248 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000877916624 690260039 /nfs/dbraw/zinc/26/00/39/690260039.db2.gz HEJRGVFBQZAWNW-RTBURBONSA-N 0 3 310.397 2.475 20 30 DEEDHN C=CC[C@H](C(=O)OC)N1CCCN(Cc2ccccc2)CC1 ZINC000877926667 690262086 /nfs/dbraw/zinc/26/20/86/690262086.db2.gz OXRBFTVKYFARFF-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC001036139946 690273064 /nfs/dbraw/zinc/27/30/64/690273064.db2.gz BFKMFEQCSKOIRK-XJKSGUPXSA-N 0 3 318.465 2.267 20 30 DEEDHN C[C@@H](NCc1nccs1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001036413140 690344476 /nfs/dbraw/zinc/34/44/76/690344476.db2.gz RANQUUUXTSJQBN-HIFRSBDPSA-N 0 3 317.458 2.273 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H]1[C@@H](C)CCCN1C(C)=O ZINC001036482448 690362600 /nfs/dbraw/zinc/36/26/00/690362600.db2.gz CRBFDLODBKBBDR-SUMWQHHRSA-N 0 3 315.417 2.303 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3CC4(CCC4)CO3)C2)nc1 ZINC000878642328 690464036 /nfs/dbraw/zinc/46/40/36/690464036.db2.gz ZWQHZRKSDGLEBW-CVEARBPZSA-N 0 3 313.401 2.366 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H](O)CC1)c1ccccc1 ZINC000878658211 690468827 /nfs/dbraw/zinc/46/88/27/690468827.db2.gz VERVFCWFAFKVCN-MSOLQXFVSA-N 0 3 300.402 2.274 20 30 DEEDHN CCC(=O)N[C@@H]1CCC[C@H]1CNCc1cc(F)ccc1C#N ZINC001036910238 690524568 /nfs/dbraw/zinc/52/45/68/690524568.db2.gz QLOJVWXCSXVJAS-XJKSGUPXSA-N 0 3 303.381 2.482 20 30 DEEDHN Cn1cc(C2=CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)cn1 ZINC000878905494 690524897 /nfs/dbraw/zinc/52/48/97/690524897.db2.gz KONBRIXRMMDRRL-SFHVURJKSA-N 0 3 308.385 2.114 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCC[C@@H]1NC(=O)C(F)F ZINC001036918156 690527798 /nfs/dbraw/zinc/52/77/98/690527798.db2.gz HMKXXZGROFBEJI-KGLIPLIRSA-N 0 3 307.344 2.198 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@H]2COC[C@@H]2C1)c1ccccc1 ZINC000878994626 690544442 /nfs/dbraw/zinc/54/44/42/690544442.db2.gz WGAWWJIDAZMDJX-JENIJYKNSA-N 0 3 312.413 2.395 20 30 DEEDHN CCOC(=O)[C@H]1CN(CCCSCC#N)CCC1(F)F ZINC000879370248 690629460 /nfs/dbraw/zinc/62/94/60/690629460.db2.gz REYYEQBYJFNBKH-LLVKDONJSA-N 0 3 306.378 2.154 20 30 DEEDHN C#CCOCCN1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 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C#CCN1CCC2(CN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)CC1 ZINC001050691686 693233042 /nfs/dbraw/zinc/23/30/42/693233042.db2.gz AIRAWSAFFRDEKU-IPMKNSEASA-N 0 3 320.436 2.130 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3occ4c3CCCC4)C2)CC1 ZINC001050742190 693242712 /nfs/dbraw/zinc/24/27/12/693242712.db2.gz WJAGAEWTEGVFGL-UHFFFAOYSA-N 0 3 312.413 2.330 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cccc(F)c3)C2)CC1 ZINC001050746383 693243346 /nfs/dbraw/zinc/24/33/46/693243346.db2.gz JXYAOARRGHYFCR-UHFFFAOYSA-N 0 3 314.404 2.316 20 30 DEEDHN C[C@H]1[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCN1C ZINC000925324147 693256517 /nfs/dbraw/zinc/25/65/17/693256517.db2.gz UZBUPZBLPQRTLU-SUMWQHHRSA-N 0 3 312.417 2.325 20 30 DEEDHN Cc1cc(N2CCC[C@H](N[C@H](C)CC(C)(C)C#N)C2=O)n(C)n1 ZINC000925892410 693360666 /nfs/dbraw/zinc/36/06/66/693360666.db2.gz ALKATJZJLJQAIW-KGLIPLIRSA-N 0 3 317.437 2.142 20 30 DEEDHN C#C[C@@H](NC1CC(CNC(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000926211139 693416823 /nfs/dbraw/zinc/41/68/23/693416823.db2.gz 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/nfs/dbraw/zinc/52/99/50/693529950.db2.gz QIJBSSMSJCTQBF-OAHLLOKOSA-N 0 3 319.474 2.027 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cnc(C3CC3)o2)CC1 ZINC001052454388 693538940 /nfs/dbraw/zinc/53/89/40/693538940.db2.gz AUWKDUBRGQRVMR-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2nc(Cl)sc2C)CC1 ZINC001052551497 693565732 /nfs/dbraw/zinc/56/57/32/693565732.db2.gz CLQCFGPQDSPABU-NSHDSACASA-N 0 3 311.838 2.322 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2scnc2C(F)F)CC1 ZINC001052551661 693566014 /nfs/dbraw/zinc/56/60/14/693566014.db2.gz HYNJTCRWEPPZDH-SNVBAGLBSA-N 0 3 313.373 2.298 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cnc3cnccc3c2)CC1 ZINC001052562733 693569037 /nfs/dbraw/zinc/56/90/37/693569037.db2.gz ZNBUQTFTAMYURK-QGZVFWFLSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)CC1 ZINC001052566886 693570578 /nfs/dbraw/zinc/57/05/78/693570578.db2.gz QWMWHSDRTKUGGA-FUHWJXTLSA-N 0 3 314.404 2.459 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)CC1 ZINC001052778947 693618457 /nfs/dbraw/zinc/61/84/57/693618457.db2.gz UPQFQYALPIIPCL-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)CC1 ZINC001052794046 693620189 /nfs/dbraw/zinc/62/01/89/693620189.db2.gz FXPMZGOIGKDLCG-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2c(C)nn(CC)c2C)CC1 ZINC001052796378 693621304 /nfs/dbraw/zinc/62/13/04/693621304.db2.gz BIFTWWXCOKWRSN-INIZCTEOSA-N 0 3 316.449 2.127 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc3nccnc32)CC1 ZINC001052821312 693625361 /nfs/dbraw/zinc/62/53/61/693625361.db2.gz WVFFTDPWEFEXOC-HNNXBMFYSA-N 0 3 322.412 2.237 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC001052850123 693633329 /nfs/dbraw/zinc/63/33/29/693633329.db2.gz MTHBFIIYVFCOGM-OAHLLOKOSA-N 0 3 316.449 2.449 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC001052901087 693644981 /nfs/dbraw/zinc/64/49/81/693644981.db2.gz MORWJQMEUZULAG-MRXNPFEDSA-N 0 3 316.449 2.065 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2c[nH]c3ncccc23)CC1 ZINC001052945845 693654328 /nfs/dbraw/zinc/65/43/28/693654328.db2.gz OIBKFXWTMJNJHN-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc[nH]n2)C1 ZINC001053067219 693681509 /nfs/dbraw/zinc/68/15/09/693681509.db2.gz PONKEOZPUUDPCZ-NVXWUHKLSA-N 0 3 314.433 2.140 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ncoc2C)C1 ZINC001053067505 693681669 /nfs/dbraw/zinc/68/16/69/693681669.db2.gz HHKINFBJKQLGOE-CVEARBPZSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccn(C)c2)C1 ZINC001053080069 693685797 /nfs/dbraw/zinc/68/57/97/693685797.db2.gz MXNIJNJMYVFNFD-WMZOPIPTSA-N 0 3 313.445 2.365 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc[nH]2)C1 ZINC001053108524 693690840 /nfs/dbraw/zinc/69/08/40/693690840.db2.gz VTWBWNDADJCYCV-AEFFLSMTSA-N 0 3 313.445 2.284 20 30 DEEDHN OCCN1CCC(N=Nc2cc(Cl)nc3ncccc23)CC1 ZINC001332012125 1149807638 /nfs/dbraw/zinc/80/76/38/1149807638.db2.gz OIDMDLMEZZNHSE-UHFFFAOYSA-N 0 3 319.796 2.139 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccc(F)cc2)[C@@H]1C ZINC001332221419 1149837353 /nfs/dbraw/zinc/83/73/53/1149837353.db2.gz YAXJLXDPAOZWCY-YOEHRIQHSA-N 0 3 318.392 2.197 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)[C@H]2CCCC23CC3)CC1(C)C ZINC001332386579 1149856223 /nfs/dbraw/zinc/85/62/23/1149856223.db2.gz GJAYSRGYTUCAPQ-CVEARBPZSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)CC[C@@H]2CCCCO2)CC1 ZINC001332960330 1149936719 /nfs/dbraw/zinc/93/67/19/1149936719.db2.gz QONQKIKEQSPHOA-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001332992308 1149948482 /nfs/dbraw/zinc/94/84/82/1149948482.db2.gz MRPAPXSKEISMNF-NEPJUHHUSA-N 0 3 304.356 2.425 20 30 DEEDHN N#Cc1ccc(COC(=O)C2CCCN(C3CC3)C2=O)s1 ZINC001333536768 1150061944 /nfs/dbraw/zinc/06/19/44/1150061944.db2.gz UNXBYKSOPFQAST-ZDUSSCGKSA-N 0 3 304.371 2.064 20 30 DEEDHN C=CCCC[C@@H](C(=O)N1CCOC2(CNC2)C1)c1ccccc1 ZINC001333644053 1150073406 /nfs/dbraw/zinc/07/34/06/1150073406.db2.gz VIHXLDGIBVJJIS-QGZVFWFLSA-N 0 3 314.429 2.327 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CCCCC(=O)OC(C)(C)C ZINC001343842382 1150777749 /nfs/dbraw/zinc/77/77/49/1150777749.db2.gz MAACBOURGXAFMX-LBPRGKRZSA-N 0 3 305.378 2.498 20 30 DEEDHN C#CCn1cc(CNCCC(=O)Nc2cccc(Cl)c2)cn1 ZINC001346327473 1150970521 /nfs/dbraw/zinc/97/05/21/1150970521.db2.gz XSKZVUMVJKUGMM-UHFFFAOYSA-N 0 3 316.792 2.288 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001347650378 1151087442 /nfs/dbraw/zinc/08/74/42/1151087442.db2.gz POZSQOXAQULBLR-WMZOPIPTSA-N 0 3 315.461 2.098 20 30 DEEDHN CCCCCCCCCN(C)C(=O)C(=O)N1CCCNCC1 ZINC001348858470 1151202525 /nfs/dbraw/zinc/20/25/25/1151202525.db2.gz YHRFQELDNMLKCS-UHFFFAOYSA-N 0 3 311.470 2.017 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001355183216 1151990226 /nfs/dbraw/zinc/99/02/26/1151990226.db2.gz PIYBZXMGFFFZKD-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN Cn1cc(C(=O)C(C#N)c2nccn2Cc2ccccc2)cn1 ZINC001357527584 1152308356 /nfs/dbraw/zinc/30/83/56/1152308356.db2.gz SRIUORBIEYVCHI-HNNXBMFYSA-N 0 3 305.341 2.155 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCc2ccns2)CC1(C)C ZINC001402799451 1162475710 /nfs/dbraw/zinc/47/57/10/1162475710.db2.gz OIOJBGJJUANMFL-JSGCOSHPSA-N 0 3 320.462 2.062 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1ccco1 ZINC001378519629 1152359088 /nfs/dbraw/zinc/35/90/88/1152359088.db2.gz PHBPGUFMZXRZCY-LBPRGKRZSA-N 0 3 315.348 2.446 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccn2ccnc12 ZINC001402847438 1162496120 /nfs/dbraw/zinc/49/61/20/1162496120.db2.gz JXBPGXBIFRQZTI-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN CO[C@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001380059923 1152741937 /nfs/dbraw/zinc/74/19/37/1152741937.db2.gz YHKYCXOGYUDBSS-RISCZKNCSA-N 0 3 323.462 2.275 20 30 DEEDHN Cc1nc(CNC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)sc1C ZINC001380395308 1152805732 /nfs/dbraw/zinc/80/57/32/1152805732.db2.gz CIKYAOQTVLXZHS-BDJLRTHQSA-N 0 3 320.462 2.248 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncc(OC)cc1F ZINC001381195505 1152947094 /nfs/dbraw/zinc/94/70/94/1152947094.db2.gz AOBMCIPMRKCXPZ-JTQLQIEISA-N 0 3 315.776 2.080 20 30 DEEDHN CCOC(=O)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC001362570060 1152981998 /nfs/dbraw/zinc/98/19/98/1152981998.db2.gz OFTWYLYGWDREMB-UKRRQHHQSA-N 0 3 302.374 2.217 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001381336125 1153008168 /nfs/dbraw/zinc/00/81/68/1153008168.db2.gz UBORYNJRMYWNRM-HNFVBEJKSA-N 0 3 319.836 2.033 20 30 DEEDHN C[C@@H](NC(=O)CC1CC1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001381343823 1153011422 /nfs/dbraw/zinc/01/14/22/1153011422.db2.gz CEOVSFYKQIDGON-NWDGAFQWSA-N 0 3 303.381 2.480 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)c2ccccc2OCC#N)C1 ZINC001362625986 1153015641 /nfs/dbraw/zinc/01/56/41/1153015641.db2.gz IJUHQKHQYLLKTF-CQSZACIVSA-N 0 3 301.390 2.192 20 30 DEEDHN CC(C)OCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001381373666 1153030322 /nfs/dbraw/zinc/03/03/22/1153030322.db2.gz SQZUUBIVYSFVGH-CHWSQXEVSA-N 0 3 321.396 2.105 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001381561999 1153127481 /nfs/dbraw/zinc/12/74/81/1153127481.db2.gz VMQPHNOMGGQWIY-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](NC(=O)c1cc[nH]c1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001402993014 1162607187 /nfs/dbraw/zinc/60/71/87/1162607187.db2.gz NNZTUPAJTJZEID-NWDGAFQWSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001390015542 1155500293 /nfs/dbraw/zinc/50/02/93/1155500293.db2.gz NXRPAJOMYMCIAW-MELADBBJSA-N 0 3 308.809 2.443 20 30 DEEDHN C[C@@H](CNC(=O)CCc1ccoc1)NCc1ccc(C#N)s1 ZINC001390333621 1155656454 /nfs/dbraw/zinc/65/64/54/1155656454.db2.gz UGNOCTRDJGGDSX-LBPRGKRZSA-N 0 3 317.414 2.440 20 30 DEEDHN COCC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001390454006 1155727341 /nfs/dbraw/zinc/72/73/41/1155727341.db2.gz KAVVAPQQOXLHGH-LBPRGKRZSA-N 0 3 323.462 2.277 20 30 DEEDHN C[C@@H](CNC(=O)C1(CCF)CC1)NCc1ccc(C#N)c(F)c1 ZINC001371298581 1155816140 /nfs/dbraw/zinc/81/61/40/1155816140.db2.gz CKKUQXYYNYJDOJ-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccn(C(C)C)n1 ZINC001390681723 1155836801 /nfs/dbraw/zinc/83/68/01/1155836801.db2.gz MBNULSCFECGMCF-CYBMUJFWSA-N 0 3 312.845 2.243 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccc(CC)cn1 ZINC001390702383 1155842833 /nfs/dbraw/zinc/84/28/33/1155842833.db2.gz GQASSYUYACBXPY-CYBMUJFWSA-N 0 3 309.841 2.423 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001371770831 1156008103 /nfs/dbraw/zinc/00/81/03/1156008103.db2.gz JJVVCXRWZFBCMO-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cncnc1C1CC1 ZINC001371887249 1156053665 /nfs/dbraw/zinc/05/36/65/1156053665.db2.gz YUUDGNQKVRQJMW-NSHDSACASA-N 0 3 308.813 2.205 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001372597976 1156588768 /nfs/dbraw/zinc/58/87/68/1156588768.db2.gz SHECVOOSJVHQBR-CHWSQXEVSA-N 0 3 305.809 2.438 20 30 DEEDHN CCOCC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001391815232 1156808747 /nfs/dbraw/zinc/80/87/47/1156808747.db2.gz KYQQODXDPUKCER-QAQDUYKDSA-N 0 3 315.417 2.112 20 30 DEEDHN CC(C)c1cccc(CNC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001392049832 1156857503 /nfs/dbraw/zinc/85/75/03/1156857503.db2.gz LEOBOQKGQGDZIA-UONOGXRCSA-N 0 3 302.422 2.301 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1CC(F)(F)C1 ZINC001392470596 1157062089 /nfs/dbraw/zinc/06/20/89/1157062089.db2.gz PINGYZRESRVRDG-SECBINFHSA-N 0 3 313.373 2.259 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001392506564 1157081123 /nfs/dbraw/zinc/08/11/23/1157081123.db2.gz WYPFXKORPWUMOY-FWYOQMDTSA-N 0 3 315.392 2.338 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCCCN1CCc1ccns1 ZINC001403284953 1162838244 /nfs/dbraw/zinc/83/82/44/1162838244.db2.gz JOXQVHPIONTJQJ-UONOGXRCSA-N 0 3 320.462 2.206 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001373672137 1157243017 /nfs/dbraw/zinc/24/30/17/1157243017.db2.gz WJMOKZCLGZLVSY-BBRMVZONSA-N 0 3 310.401 2.360 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1nccc(C)n1)C1CC1 ZINC001373880925 1157430726 /nfs/dbraw/zinc/43/07/26/1157430726.db2.gz RBABGDGQSYSQQI-HNNXBMFYSA-N 0 3 308.813 2.026 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cncn2C)CCCC[C@H]1C ZINC001373901381 1157447776 /nfs/dbraw/zinc/44/77/76/1157447776.db2.gz IWIKMQJAYBEVSB-WBMJQRKESA-N 0 3 324.856 2.441 20 30 DEEDHN CO[C@H](C)CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001392902466 1157530712 /nfs/dbraw/zinc/53/07/12/1157530712.db2.gz PIZHJGAUQSDXDB-CQSZACIVSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)c2cnn(C)c2)CCCC1 ZINC001374182115 1157695799 /nfs/dbraw/zinc/69/57/99/1157695799.db2.gz XWAFGBREZJRLOS-CYBMUJFWSA-N 0 3 324.856 2.295 20 30 DEEDHN Cc1conc1C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001374305742 1157807851 /nfs/dbraw/zinc/80/78/51/1157807851.db2.gz KKAPNCSXLGHUTJ-LLVKDONJSA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1COc2ccccc2O1 ZINC001403478487 1162895392 /nfs/dbraw/zinc/89/53/92/1162895392.db2.gz ZSQWTOUZWHBKLX-IUODEOHRSA-N 0 3 324.808 2.063 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)n[nH]1 ZINC001374399214 1157839007 /nfs/dbraw/zinc/83/90/07/1157839007.db2.gz UGZVJMRLYCANII-QMTHXVAHSA-N 0 3 310.829 2.301 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)[nH]n1 ZINC001374399214 1157839008 /nfs/dbraw/zinc/83/90/08/1157839008.db2.gz UGZVJMRLYCANII-QMTHXVAHSA-N 0 3 310.829 2.301 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@@H](C)OCC)C(C)C ZINC001374413563 1157846090 /nfs/dbraw/zinc/84/60/90/1157846090.db2.gz YDXZELKFCCAOFA-NEPJUHHUSA-N 0 3 321.259 2.050 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001375032714 1158225084 /nfs/dbraw/zinc/22/50/84/1158225084.db2.gz ROBMSKCYBOZWAC-UGFHNGPFSA-N 0 3 321.371 2.396 20 30 DEEDHN COC[C@H](C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375134892 1158342919 /nfs/dbraw/zinc/34/29/19/1158342919.db2.gz QOTLWQUOZJIRKL-CABCVRRESA-N 0 3 317.433 2.167 20 30 DEEDHN C=C1CCC(C(=O)NCCCN(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001492827312 1158359282 /nfs/dbraw/zinc/35/92/82/1158359282.db2.gz QSZQFXHMHJMHCY-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001394377465 1158449695 /nfs/dbraw/zinc/44/96/95/1158449695.db2.gz XWQOQWLBZOZFAZ-UMSPYCQHSA-N 0 3 308.813 2.138 20 30 DEEDHN C[C@H](CN(C)C(=O)C(C)(C)F)NCc1ccc(F)c(C#N)c1 ZINC001394449944 1158539242 /nfs/dbraw/zinc/53/92/42/1158539242.db2.gz PMWMQACOAHJXNM-LLVKDONJSA-N 0 3 309.360 2.382 20 30 DEEDHN C=C(Br)CN[C@@H]1CC[C@H](CNC(=O)C(F)F)C1 ZINC001375559187 1158812945 /nfs/dbraw/zinc/81/29/45/1158812945.db2.gz JYWCQSYEFNUGFZ-DTWKUNHWSA-N 0 3 311.170 2.035 20 30 DEEDHN Cc1cccnc1CNC[C@@H](NC(=O)[C@H](C)C#N)C1CCCC1 ZINC001375784281 1158871830 /nfs/dbraw/zinc/87/18/30/1158871830.db2.gz KHVWVXNFLFVTEV-RHSMWYFYSA-N 0 3 314.433 2.314 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COC2CCCCC2)C1 ZINC001376416287 1159395897 /nfs/dbraw/zinc/39/58/97/1159395897.db2.gz DFHPLVCOIVPWTQ-JOCQHMNTSA-N 0 3 300.830 2.325 20 30 DEEDHN C[C@H](CCNC(=O)c1ccn(C)c1)NCc1ccccc1C#N ZINC001377018063 1159877336 /nfs/dbraw/zinc/87/73/36/1159877336.db2.gz CDHORPPQRVHFRK-CQSZACIVSA-N 0 3 310.401 2.195 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001377079640 1159893549 /nfs/dbraw/zinc/89/35/49/1159893549.db2.gz FURKYEHVKYOEEU-MNOVXSKESA-N 0 3 312.845 2.367 20 30 DEEDHN C#CCCN(CCNC(=O)c1ccccc1Cl)CCOC ZINC001571641929 1160002121 /nfs/dbraw/zinc/00/21/21/1160002121.db2.gz ZMKJCPDCDWVPLB-UHFFFAOYSA-N 0 3 308.809 2.042 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CC(C)(C)CNCc1cc(C2CC2)no1 ZINC001377942950 1160878171 /nfs/dbraw/zinc/87/81/71/1160878171.db2.gz YUHLVJUJFZEDRP-GFCCVEGCSA-N 0 3 318.421 2.286 20 30 DEEDHN COc1ccc(Cl)c(CN[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)c1 ZINC001398609443 1161013728 /nfs/dbraw/zinc/01/37/28/1161013728.db2.gz GIQOJDFKPUSEEK-RTXFEEFZSA-N 0 3 321.808 2.245 20 30 DEEDHN COc1ccc(Cl)c(CN[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)c1 ZINC001398609445 1161014307 /nfs/dbraw/zinc/01/43/07/1161014307.db2.gz GIQOJDFKPUSEEK-WCFLWFBJSA-N 0 3 321.808 2.245 20 30 DEEDHN C[C@@H](CCNC(=O)C[C@H]1CCCO1)NCc1ccccc1C#N ZINC001399313464 1161339970 /nfs/dbraw/zinc/33/99/70/1161339970.db2.gz HSXQWCFUXPQTHF-WMLDXEAASA-N 0 3 315.417 2.112 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)C#N)NCc1cc(OC)ccc1Cl ZINC001400792609 1161822460 /nfs/dbraw/zinc/82/24/60/1161822460.db2.gz DNRVVXDFJGYMRT-WCQYABFASA-N 0 3 323.824 2.493 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](OC)C1CC1)C1CC1 ZINC001400981245 1161855000 /nfs/dbraw/zinc/85/50/00/1161855000.db2.gz WBWBBJOBDWKTJE-UKRRQHHQSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccc(F)cn1)C(C)C ZINC001401333078 1161934943 /nfs/dbraw/zinc/93/49/43/1161934943.db2.gz SJJGAKPLZNMKBL-CQSZACIVSA-N 0 3 313.804 2.246 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001401597478 1162040560 /nfs/dbraw/zinc/04/05/60/1162040560.db2.gz QKLTWKVNCUOYRT-RUXDESIVSA-N 0 3 300.830 2.183 20 30 DEEDHN Cc1nc(C(C)C)ccc1CNC1(CNC(=O)[C@H](C)C#N)CC1 ZINC001401940137 1162190512 /nfs/dbraw/zinc/19/05/12/1162190512.db2.gz MUTAUNWUBAFCNF-CYBMUJFWSA-N 0 3 314.433 2.412 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3CC[C@@H](F)C3)CC2)cc1 ZINC001401958924 1162196953 /nfs/dbraw/zinc/19/69/53/1162196953.db2.gz OEUHJHKGMWDNNK-JKSUJKDBSA-N 0 3 315.392 2.435 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](NC(C)=O)C(C)(C)C ZINC001403935082 1163309221 /nfs/dbraw/zinc/30/92/21/1163309221.db2.gz CMJBPGAFOZJYJA-INIZCTEOSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)Oc2ccccn2)C1 ZINC001404013472 1163376318 /nfs/dbraw/zinc/37/63/18/1163376318.db2.gz GCGRWNAVDRGKGC-HSBZDZAISA-N 0 3 323.824 2.180 20 30 DEEDHN CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)NCc1ccccc1F ZINC001405227403 1164021015 /nfs/dbraw/zinc/02/10/15/1164021015.db2.gz UXSRMFWEAGKOGV-CQSZACIVSA-N 0 3 314.364 2.324 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001405235867 1164024539 /nfs/dbraw/zinc/02/45/39/1164024539.db2.gz ZEGKZELBXSXQHR-IUODEOHRSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCc1cncnc1)C1CC1 ZINC001405441935 1164093433 /nfs/dbraw/zinc/09/34/33/1164093433.db2.gz JCVZRHVWYOOOTB-INIZCTEOSA-N 0 3 322.840 2.036 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc2cccn2cn1)C(C)C ZINC001406046748 1164407299 /nfs/dbraw/zinc/40/72/99/1164407299.db2.gz UEOWNNSJCIVMKM-OAHLLOKOSA-N 0 3 320.824 2.431 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(CF)CCC1 ZINC001406407986 1164575318 /nfs/dbraw/zinc/57/53/18/1164575318.db2.gz XKRLNFXEWVKJDH-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC001408149613 1165498836 /nfs/dbraw/zinc/49/88/36/1165498836.db2.gz BJLXKRVDKZIMOR-CYBMUJFWSA-N 0 3 314.857 2.118 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001408172908 1165502286 /nfs/dbraw/zinc/50/22/86/1165502286.db2.gz IWSZLRDFUZCIOZ-ZIAGYGMSSA-N 0 3 301.862 2.048 20 30 DEEDHN C[C@@H](CCNC(=O)[C@@H]1CC12CC2)NCc1cc(C#N)ccc1F ZINC001408218298 1165536027 /nfs/dbraw/zinc/53/60/27/1165536027.db2.gz NGZYSNQQLKCSDR-WFASDCNBSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)CC2CC2)C1 ZINC001417784928 1167211373 /nfs/dbraw/zinc/21/13/73/1167211373.db2.gz UORVCLVDEFYMJX-HAQNSBGRSA-N 0 3 301.228 2.180 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)COCC2CC2)C1 ZINC001417806296 1167226796 /nfs/dbraw/zinc/22/67/96/1167226796.db2.gz YUKFQKOLDORRPC-UONOGXRCSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@H](c1cccc(F)c1)N(C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001418454579 1167668080 /nfs/dbraw/zinc/66/80/80/1167668080.db2.gz NIIWEWSJNJQBHP-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN CCN(CCNC(=O)[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC001418538712 1167793481 /nfs/dbraw/zinc/79/34/81/1167793481.db2.gz WAVXJYHOVCOWDD-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001418652078 1167864724 /nfs/dbraw/zinc/86/47/24/1167864724.db2.gz GOOYSTPODHIJRZ-MELADBBJSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001418665654 1167872781 /nfs/dbraw/zinc/87/27/81/1167872781.db2.gz QKLTWKVNCUOYRT-IHRRRGAJSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@H]1C[C@@H]1C ZINC001419492508 1168531360 /nfs/dbraw/zinc/53/13/60/1168531360.db2.gz DONVIZMLDXHZCQ-WQGACYEGSA-N 0 3 303.381 2.195 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCCOC2)CCCC1 ZINC001419599185 1168650939 /nfs/dbraw/zinc/65/09/39/1168650939.db2.gz XZQWWSUMMXGOEB-ZDUSSCGKSA-N 0 3 300.830 2.184 20 30 DEEDHN COCCC(=O)N[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001420009912 1169058353 /nfs/dbraw/zinc/05/83/53/1169058353.db2.gz POUKEENMKDYPBZ-IRXDYDNUSA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@@H](C)NCc1cc(O)ccc1Cl ZINC001420066623 1169132397 /nfs/dbraw/zinc/13/23/97/1169132397.db2.gz LLVZAZNCFJENAZ-GHMZBOCLSA-N 0 3 309.797 2.190 20 30 DEEDHN CS[C@H](C)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001420922653 1171350770 /nfs/dbraw/zinc/35/07/70/1171350770.db2.gz WYDACEPOAHVLQL-GFCCVEGCSA-N 0 3 303.431 2.048 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001420971361 1171391015 /nfs/dbraw/zinc/39/10/15/1171391015.db2.gz SOXBQCSFHBDFTI-UKRRQHHQSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421184046 1171563650 /nfs/dbraw/zinc/56/36/50/1171563650.db2.gz NQOSEZRHOTWTFI-LIRRHRJNSA-N 0 3 311.429 2.416 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001421553132 1171844614 /nfs/dbraw/zinc/84/46/14/1171844614.db2.gz PIXDWHBMSDLVBA-NYTXWWLZSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cccnc2)CCCC1 ZINC001421816890 1172012380 /nfs/dbraw/zinc/01/23/80/1172012380.db2.gz HMLMTBCEZQDVBL-UHFFFAOYSA-N 0 3 307.825 2.395 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnc2ccccn21)C(C)C ZINC001422092890 1172299216 /nfs/dbraw/zinc/29/92/16/1172299216.db2.gz BYULUJVPHQNLDG-CYBMUJFWSA-N 0 3 320.824 2.431 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC001422253437 1172440997 /nfs/dbraw/zinc/44/09/97/1172440997.db2.gz AWLYKXTZGWZGFK-UDNWOFFPSA-N 0 3 323.181 2.035 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(C)CCC1 ZINC001422536748 1172686933 /nfs/dbraw/zinc/68/69/33/1172686933.db2.gz WFISOBKDNKTDPU-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001422904579 1172912916 /nfs/dbraw/zinc/91/29/16/1172912916.db2.gz FRYHXWQTVLWGAC-JOCQHMNTSA-N 0 3 310.829 2.062 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001422975077 1172990390 /nfs/dbraw/zinc/99/03/90/1172990390.db2.gz YUSAWRFTNGJIKS-QMTHXVAHSA-N 0 3 323.487 2.356 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001422988539 1173001755 /nfs/dbraw/zinc/00/17/55/1173001755.db2.gz ZFKKRGSLRWUBAV-ZFWWWQNUSA-N 0 3 324.856 2.413 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001423109815 1173081614 /nfs/dbraw/zinc/08/16/14/1173081614.db2.gz BUAIJFHRZBEIOI-XJKCOSOUSA-N 0 3 315.417 2.159 20 30 DEEDHN CCOCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001424549091 1173827305 /nfs/dbraw/zinc/82/73/05/1173827305.db2.gz WPRQBRLDCACQTP-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ncccc2F)C1 ZINC001424730915 1173891223 /nfs/dbraw/zinc/89/12/23/1173891223.db2.gz IVHYFPWZNLTNNR-UHFFFAOYSA-N 0 3 311.788 2.000 20 30 DEEDHN N#Cc1ccc(F)c(CNC[C@H]2C[C@H](NC(=O)CCCF)C2)c1 ZINC001425406770 1174308699 /nfs/dbraw/zinc/30/86/99/1174308699.db2.gz RYFYWNXTQABEQC-CTYIDZIISA-N 0 3 321.371 2.431 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001433886217 1178052665 /nfs/dbraw/zinc/05/26/65/1178052665.db2.gz CYIWDVBLPLIMHY-GFCCVEGCSA-N 0 3 307.344 2.439 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001436385104 1179073079 /nfs/dbraw/zinc/07/30/79/1179073079.db2.gz MDUQIGSTYKBXDP-CQDKDKBSSA-N 0 3 324.856 2.065 20 30 DEEDHN Cc1nc(CNC2CCC(NC(=O)[C@@H](C)C#N)CC2)sc1C ZINC001437094980 1179399132 /nfs/dbraw/zinc/39/91/32/1179399132.db2.gz KLRKTTIHNSBXDT-FNBIGBAISA-N 0 3 320.462 2.437 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CN(C)c1ccccc1 ZINC001437424464 1179799551 /nfs/dbraw/zinc/79/95/51/1179799551.db2.gz AIPMOFOQAGFPSF-AWEZNQCLSA-N 0 3 309.841 2.360 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC001437662518 1179881702 /nfs/dbraw/zinc/88/17/02/1179881702.db2.gz SXTSQCILTRTEBA-CZUORRHYSA-N 0 3 310.401 2.408 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccn[nH]2)CCCC[C@@H]1C ZINC001438430253 1180415002 /nfs/dbraw/zinc/41/50/02/1180415002.db2.gz RVVRVGWPRFILNJ-NHYWBVRUSA-N 0 3 310.829 2.431 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438628336 1180692979 /nfs/dbraw/zinc/69/29/79/1180692979.db2.gz NZUWHXVTZSXVTO-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@H](C)SC)C(C)C ZINC001438789207 1180813505 /nfs/dbraw/zinc/81/35/05/1180813505.db2.gz KROWXGQIZKBHRB-QWRGUYRKSA-N 0 3 323.300 2.377 20 30 DEEDHN Cc1ncccc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001439260484 1180973878 /nfs/dbraw/zinc/97/38/78/1180973878.db2.gz ZXVTYRRVFWKQAL-NSHDSACASA-N 0 3 314.414 2.231 20 30 DEEDHN CC(C)OCCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439302003 1181005158 /nfs/dbraw/zinc/00/51/58/1181005158.db2.gz XFHNBHNRGUTPQQ-HNNXBMFYSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439410084 1181077674 /nfs/dbraw/zinc/07/76/74/1181077674.db2.gz PARCPZBAHUCMIX-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN CC(C)CC(=O)NCC1(NCc2ccc(OCC#N)cc2)CC1 ZINC001439582826 1181156231 /nfs/dbraw/zinc/15/62/31/1181156231.db2.gz WEFJNMKMCPGVPK-UHFFFAOYSA-N 0 3 315.417 2.373 20 30 DEEDHN CCC1(NCc2cc(C)on2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001440522354 1181579102 /nfs/dbraw/zinc/57/91/02/1181579102.db2.gz OYPXTZKJMJIKHA-GFCCVEGCSA-N 0 3 304.394 2.004 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@@H](C)CO1 ZINC001440872031 1181737661 /nfs/dbraw/zinc/73/76/61/1181737661.db2.gz CHUNYJSMXICZMP-DGCLKSJQSA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)CCOc1ccccc1Cl ZINC001440919933 1181774821 /nfs/dbraw/zinc/77/48/21/1181774821.db2.gz XLFWBNMSNVBJEN-CHWSQXEVSA-N 0 3 323.824 2.315 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NCc1ccc(C#N)c(F)c1 ZINC001443970806 1183232576 /nfs/dbraw/zinc/23/25/76/1183232576.db2.gz UWGZKFKCJNGIDU-BYCMXARLSA-N 0 3 303.381 2.338 20 30 DEEDHN CC(C)(F)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001445911204 1184123554 /nfs/dbraw/zinc/12/35/54/1184123554.db2.gz CBPHUSQHOCUVEH-ZDUSSCGKSA-N 0 3 309.410 2.352 20 30 DEEDHN C[C@H](C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1)C1CC1 ZINC001446155949 1184251905 /nfs/dbraw/zinc/25/19/05/1184251905.db2.gz WWUHEFZTPVNSOI-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CCOC)CC2)C1 ZINC001446290638 1184297095 /nfs/dbraw/zinc/29/70/95/1184297095.db2.gz GIMZNUOJORTTTN-HNNXBMFYSA-N 0 3 314.857 2.336 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccccn1)C1CCCC1 ZINC001446501187 1184377454 /nfs/dbraw/zinc/37/74/54/1184377454.db2.gz SGYWODOBOZORDQ-CZUORRHYSA-N 0 3 300.406 2.006 20 30 DEEDHN Cc1nc(CNC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001446589996 1184433764 /nfs/dbraw/zinc/43/37/64/1184433764.db2.gz XWRDRIMTEQUJRO-BZNIZROVSA-N 0 3 320.462 2.248 20 30 DEEDHN CCCC[C@H](CNCc1cc(C)ns1)NC(=O)[C@@H](C)C#N ZINC001448254008 1185133180 /nfs/dbraw/zinc/13/31/80/1185133180.db2.gz RXXMJUNOFJPYMP-WCQYABFASA-N 0 3 308.451 2.376 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001448574097 1185301864 /nfs/dbraw/zinc/30/18/64/1185301864.db2.gz JUTKDJUWQVJMIE-MEDUHNTESA-N 0 3 321.371 2.451 20 30 DEEDHN C[C@H](CN(C)C(=O)Cc1ccoc1)NCc1ccc(C#N)s1 ZINC001448660927 1185351462 /nfs/dbraw/zinc/35/14/62/1185351462.db2.gz WDORNGCALDTEIB-GFCCVEGCSA-N 0 3 317.414 2.392 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](C(C)(C)C)CC2)CC1 ZINC001347344296 1151058370 /nfs/dbraw/zinc/05/83/70/1151058370.db2.gz PFFNAUUTHUYXFQ-INIZCTEOSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](C(C)(C)C)CC2)CC1 ZINC001347344298 1151058472 /nfs/dbraw/zinc/05/84/72/1151058472.db2.gz PFFNAUUTHUYXFQ-MRXNPFEDSA-N 0 3 323.481 2.483 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)COc1cccc2ccccc21 ZINC001331972036 1149802071 /nfs/dbraw/zinc/80/20/71/1149802071.db2.gz OWBHHOKNAOSUNV-HZPDHXFCSA-N 0 3 301.386 2.370 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CC[C@H]3CCCO3)CCC[C@@H]12 ZINC001332068331 1149815711 /nfs/dbraw/zinc/81/57/11/1149815711.db2.gz IJXAQGHNTJSOFM-JFIYKMOQSA-N 0 3 304.434 2.082 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001370625302 1149822681 /nfs/dbraw/zinc/82/26/81/1149822681.db2.gz INDVNFHHPISEPU-WFFHOREQSA-N 0 3 307.344 2.422 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)COCc2ncc(C)o2)[C@H]1C ZINC001332185118 1149832234 /nfs/dbraw/zinc/83/22/34/1149832234.db2.gz NBZAKPGIQQLYBY-CABCVRRESA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106194350 782491657 /nfs/dbraw/zinc/49/16/57/782491657.db2.gz LBUHIPAWTVCRFX-CHWSQXEVSA-N 0 3 308.451 2.079 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(CC)c[nH]c1=O)C(C)C ZINC001332734658 1149886256 /nfs/dbraw/zinc/88/62/56/1149886256.db2.gz CUEWHTLQSQYZLR-UHFFFAOYSA-N 0 3 317.433 2.155 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106563632 782782709 /nfs/dbraw/zinc/78/27/09/782782709.db2.gz GXPWJUIJEVTEPV-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN CCCN(C)CC(=O)N(CC)CCNc1cccc(F)c1C#N ZINC001106809481 782954461 /nfs/dbraw/zinc/95/44/61/782954461.db2.gz UNDJFUPUPGBKEF-UHFFFAOYSA-N 0 3 320.412 2.300 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2CC(OCC)C2)CC(C)(C)C1 ZINC001089369864 783053168 /nfs/dbraw/zinc/05/31/68/783053168.db2.gz IVBVTIWMQATBBC-HWOWSKLDSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)cc2F)C[C@@H]1C ZINC000947383784 783122864 /nfs/dbraw/zinc/12/28/64/783122864.db2.gz QOVFZTMDMHSOGI-KBPBESRZSA-N 0 3 317.408 2.108 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000947437524 783136131 /nfs/dbraw/zinc/13/61/31/783136131.db2.gz RZAMGFJVPAFGPQ-GJZGRUSLSA-N 0 3 312.417 2.411 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2conc2C)CC(C)(C)C1 ZINC001089483451 783150496 /nfs/dbraw/zinc/15/04/96/783150496.db2.gz IPDSTXWDEKXXHX-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C3CC3)no2)CC(C)(C)C1 ZINC001089510566 783173546 /nfs/dbraw/zinc/17/35/46/783173546.db2.gz XKWXYCUPHUJINK-AWEZNQCLSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnc3ccncc32)C[C@H]1C ZINC000947576284 783179100 /nfs/dbraw/zinc/17/91/00/783179100.db2.gz KAZLTSPPWZXBGC-HUUCEWRRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001170998077 790410916 /nfs/dbraw/zinc/41/09/16/790410916.db2.gz OMWFEKHGRNWFOK-ZDUSSCGKSA-N 0 3 321.469 2.480 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)Cc3c(C)noc3C)C2)C1 ZINC001073040235 790411180 /nfs/dbraw/zinc/41/11/80/790411180.db2.gz YMAHWDIDOBDHMB-CYBMUJFWSA-N 0 3 317.433 2.190 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC001073066271 790428395 /nfs/dbraw/zinc/42/83/95/790428395.db2.gz WFDJEYPUDUOJNA-OAHLLOKOSA-N 0 3 314.404 2.487 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C)nc3OCC)C2)C1 ZINC001073095730 790449283 /nfs/dbraw/zinc/44/92/83/790449283.db2.gz CIRWUCPHIKIWNJ-UHFFFAOYSA-N 0 3 315.417 2.123 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)CCCF)C2)s1 ZINC001209086387 776663287 /nfs/dbraw/zinc/66/32/87/776663287.db2.gz LNDOTWZYVYJGKN-LBPRGKRZSA-N 0 3 309.410 2.450 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@](C)(OC)c3ccccc3)C2)C1 ZINC001073132237 790476528 /nfs/dbraw/zinc/47/65/28/790476528.db2.gz VNTOYOCYQUNASU-SFHVURJKSA-N 0 3 314.429 2.269 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnns2)C1 ZINC001104246766 776801232 /nfs/dbraw/zinc/80/12/32/776801232.db2.gz FEQMGFLITAJBFY-ZIAGYGMSSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2[nH]c(C)nc2C)CC1 ZINC001167258211 776805880 /nfs/dbraw/zinc/80/58/80/776805880.db2.gz SJYKHZNHUMDWIP-UHFFFAOYSA-N 0 3 310.829 2.269 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001167273983 776819022 /nfs/dbraw/zinc/81/90/22/776819022.db2.gz GMFYIZDZTYBCAW-KGLIPLIRSA-N 0 3 312.841 2.206 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCNCc2ccc(Cl)c(F)c2)c1 ZINC001125391006 776890097 /nfs/dbraw/zinc/89/00/97/776890097.db2.gz NJRIYZALEZSDPD-UHFFFAOYSA-N 0 3 320.755 2.198 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(C)[nH]c2=O)CC1 ZINC001167328747 776907670 /nfs/dbraw/zinc/90/76/70/776907670.db2.gz SCRUQLAXOBCOGY-UHFFFAOYSA-N 0 3 323.824 2.338 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC001090771508 790512284 /nfs/dbraw/zinc/51/22/84/790512284.db2.gz UAYUDAHPYKMYKX-HOTGVXAUSA-N 0 3 322.836 2.010 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000971818463 777209307 /nfs/dbraw/zinc/20/93/07/777209307.db2.gz OKLOSIYQIDYWAU-IUODEOHRSA-N 0 3 304.438 2.239 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1c1ccccc1 ZINC001211526309 777223222 /nfs/dbraw/zinc/22/32/22/777223222.db2.gz GCGDLTGQZMECCL-FUHWJXTLSA-N 0 3 323.396 2.204 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001100566044 777260213 /nfs/dbraw/zinc/26/02/13/777260213.db2.gz XAUAEMSJSSLQOX-WLYUNCDWSA-N 0 3 324.856 2.380 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H](O)C1 ZINC001090778381 790524409 /nfs/dbraw/zinc/52/44/09/790524409.db2.gz WLLHODSIZLYNBQ-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC34CCCC4)[C@H]2C1 ZINC001083240795 777304964 /nfs/dbraw/zinc/30/49/64/777304964.db2.gz YHCDGHZDLNJRJV-HRCADAONSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCc1csc(C)n1 ZINC001167571311 777337488 /nfs/dbraw/zinc/33/74/88/777337488.db2.gz OMCHSDXXSVLSIP-UHFFFAOYSA-N 0 3 301.843 2.233 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCCCOC)C[C@H]1c1ccccc1 ZINC001211553561 777372225 /nfs/dbraw/zinc/37/22/25/777372225.db2.gz FSUJGSTVDWPQGC-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100623621 777486310 /nfs/dbraw/zinc/48/63/10/777486310.db2.gz XMESMPFLCDBXFA-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1=CCCC1)C[C@@H](C)O2 ZINC001098583145 777638538 /nfs/dbraw/zinc/63/85/38/777638538.db2.gz KPJGSZVQSGLIIT-OAHLLOKOSA-N 0 3 304.434 2.365 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)n3C)C(C)(C)[C@@H]21 ZINC001087270707 777677090 /nfs/dbraw/zinc/67/70/90/777677090.db2.gz FJQBBIPBOLKBIN-DJIMGWMZSA-N 0 3 313.445 2.186 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccnc(F)c1 ZINC001087272990 777684512 /nfs/dbraw/zinc/68/45/12/777684512.db2.gz QFLGWNKLXDGQLW-VNQPRFMTSA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccncc3F)C(C)(C)[C@H]21 ZINC001087278462 777703133 /nfs/dbraw/zinc/70/31/33/777703133.db2.gz IDLUUGKKKOQNPI-KBMXLJTQSA-N 0 3 315.392 2.073 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3nocc3C)C(C)(C)[C@H]21 ZINC001087313186 777774698 /nfs/dbraw/zinc/77/46/98/777774698.db2.gz QFESTELMFIVPNA-BMFZPTHFSA-N 0 3 315.417 2.225 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@@H](O)C1 ZINC001090821020 790570723 /nfs/dbraw/zinc/57/07/23/790570723.db2.gz XDWXJLIDGDMQST-HOTGVXAUSA-N 0 3 320.408 2.184 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090835760 790583928 /nfs/dbraw/zinc/58/39/28/790583928.db2.gz IVPFODWDSLVYNZ-QZTJIDSGSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(F)F)C1 ZINC001207516430 778465771 /nfs/dbraw/zinc/46/57/71/778465771.db2.gz QKDILEJBWRBPIZ-MGPQQGTHSA-N 0 3 318.408 2.307 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3cccc(CC)c3)C2)C1 ZINC001073406843 790640851 /nfs/dbraw/zinc/64/08/51/790640851.db2.gz UYFRDEFDGXBIFE-UHFFFAOYSA-N 0 3 314.429 2.348 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(OC)ccc3OC)C2)C1 ZINC001073416367 790645404 /nfs/dbraw/zinc/64/54/04/790645404.db2.gz DPRIXXVKJVXNMB-UHFFFAOYSA-N 0 3 316.401 2.038 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)c2ccco2)C1 ZINC001090894512 790648686 /nfs/dbraw/zinc/64/86/86/790648686.db2.gz BWIBSLWADBCMIV-UHFFFAOYSA-N 0 3 313.195 2.286 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001126365638 778839812 /nfs/dbraw/zinc/83/98/12/778839812.db2.gz MIDFQGZTVJJBMT-GOSISDBHSA-N 0 3 319.449 2.046 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccccc2Cl)CC1 ZINC001225348417 778930654 /nfs/dbraw/zinc/93/06/54/778930654.db2.gz ANOGFHNWQOOKGX-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)n3c(C)ccc3C)C2)C1 ZINC001073457475 790667865 /nfs/dbraw/zinc/66/78/65/790667865.db2.gz RZBXJXISYJKPPX-INIZCTEOSA-N 0 3 301.434 2.386 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)COCCC)CC1 ZINC001105389400 779258752 /nfs/dbraw/zinc/25/87/52/779258752.db2.gz PFFWXPYHXRCLSC-GOSISDBHSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(OC)cc2C)[C@H]1CC ZINC001087583064 779364502 /nfs/dbraw/zinc/36/45/02/779364502.db2.gz OSHWLOPTUOZEIA-ZWKOTPCHSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)c(C)nc2C)[C@H]1CC ZINC001087650358 779395135 /nfs/dbraw/zinc/39/51/35/779395135.db2.gz KFXNBSPACKAVJN-LSDHHAIUSA-N 0 3 302.422 2.171 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc(CC3CC3)n2)[C@H]1CC ZINC001087779652 779448425 /nfs/dbraw/zinc/44/84/25/779448425.db2.gz QITCIIOELQIGEL-GOEBONIOSA-N 0 3 315.417 2.233 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(CC=C)[C@@H]1CC ZINC001087791150 779453665 /nfs/dbraw/zinc/45/36/65/779453665.db2.gz YHAODDQDIGNSJD-LSDHHAIUSA-N 0 3 315.417 2.415 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(OC)cc2)[C@H]1CC ZINC001087808355 779460961 /nfs/dbraw/zinc/46/09/61/779460961.db2.gz LFOSUQBKRMZWNH-ZWKOTPCHSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)c(OC)c2)[C@H]1CC ZINC001087816208 779464590 /nfs/dbraw/zinc/46/45/90/779464590.db2.gz ANZDHIRZYYXTTN-LSDHHAIUSA-N 0 3 318.417 2.473 20 30 DEEDHN O=C(C#CC1CC1)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001087962021 779573561 /nfs/dbraw/zinc/57/35/61/779573561.db2.gz UNRSDKGHHWHGNM-SJORKVTESA-N 0 3 314.454 2.442 20 30 DEEDHN N#Cc1ccc(Br)cc1CN1CCN2CC[C@H]2C1 ZINC001141908035 779610033 /nfs/dbraw/zinc/61/00/33/779610033.db2.gz XWTZSRXGLPLIDR-AWEZNQCLSA-N 0 3 306.207 2.211 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001088034725 779647765 /nfs/dbraw/zinc/64/77/65/779647765.db2.gz YRDDMQVCYNNYPR-MOPGFXCFSA-N 0 3 310.441 2.341 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ncc(C)cc3C)C[C@@H]2C1 ZINC001088048968 779655688 /nfs/dbraw/zinc/65/56/88/779655688.db2.gz KCDCMHKTJHGTSS-SJORKVTESA-N 0 3 311.429 2.116 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(C)cc(F)cc3C)C[C@@H]2C1 ZINC001088062887 779664945 /nfs/dbraw/zinc/66/49/45/779664945.db2.gz CUUMZOPKZNSOED-CVEARBPZSA-N 0 3 314.404 2.470 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@@H]2C1 ZINC001088136499 779721042 /nfs/dbraw/zinc/72/10/42/779721042.db2.gz REXZVECEOLKJGL-VSZNYVQBSA-N 0 3 300.446 2.226 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cnoc3C(C)C)C[C@@H]2C1 ZINC001088158830 779735519 /nfs/dbraw/zinc/73/55/19/779735519.db2.gz NGVTVCPINIGSFM-CABCVRRESA-N 0 3 315.417 2.215 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC001088236101 779792287 /nfs/dbraw/zinc/79/22/87/779792287.db2.gz LEJWWPJYOJOSCF-HYVNUMGLSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cnn(C)c2C)C1 ZINC001088263485 779861189 /nfs/dbraw/zinc/86/11/89/779861189.db2.gz GGDHJNLJVUGTRA-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001073631357 790755162 /nfs/dbraw/zinc/75/51/62/790755162.db2.gz PKAHLBNRNNWPTK-UONOGXRCSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2cnoc2)C1 ZINC001088367066 780028394 /nfs/dbraw/zinc/02/83/94/780028394.db2.gz ATNNVTQPFPBKQD-CQSZACIVSA-N 0 3 311.813 2.330 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001059979459 780788410 /nfs/dbraw/zinc/78/84/10/780788410.db2.gz VNRNWJFVXHUIHC-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2COc3ccccc3C2)[C@H]1C ZINC001088723383 780916850 /nfs/dbraw/zinc/91/68/50/780916850.db2.gz BBTSEXYEOPRJIH-KBMXLJTQSA-N 0 3 300.402 2.003 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(COC)c3)[C@@H]2C1 ZINC001076001782 781020081 /nfs/dbraw/zinc/02/00/81/781020081.db2.gz FBDWXGUAWJVUHH-DLBZAZTESA-N 0 3 300.402 2.165 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)C(C)=C1CCC1 ZINC001126899545 781049959 /nfs/dbraw/zinc/04/99/59/781049959.db2.gz RLFQKGGZGDZODI-OAHLLOKOSA-N 0 3 321.465 2.006 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)[C@@H](O)C1 ZINC001083538807 781079681 /nfs/dbraw/zinc/07/96/81/781079681.db2.gz RGKGQUAQAWULJS-TVFCKZIOSA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001076273025 781193910 /nfs/dbraw/zinc/19/39/10/781193910.db2.gz IFQOPBBMMUPPHA-WNRNVDISSA-N 0 3 311.429 2.294 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cn3ccnc3C(C)C)[C@@H]2C1 ZINC001076309160 781211592 /nfs/dbraw/zinc/21/15/92/781211592.db2.gz BVXJBDHEQFRDPZ-JKSUJKDBSA-N 0 3 316.449 2.115 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3F)[C@@H]2C1 ZINC001076418637 781256692 /nfs/dbraw/zinc/25/66/92/781256692.db2.gz HVSJXTFJGODACV-WMLDXEAASA-N 0 3 318.392 2.096 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(-c4c[nH]cn4)cc3)[C@@H]2C1 ZINC001076422790 781259557 /nfs/dbraw/zinc/25/95/57/781259557.db2.gz FJRJBSLLWJXNII-FUHWJXTLSA-N 0 3 322.412 2.409 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3)[C@@H]2C1 ZINC001076491116 781284301 /nfs/dbraw/zinc/28/43/01/781284301.db2.gz RHERHEOMZUYZMJ-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3ccc(C)cc3)[C@@H]2C1 ZINC001076538053 781302733 /nfs/dbraw/zinc/30/27/33/781302733.db2.gz OIUAUFTWHDMZIP-FUHWJXTLSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3sc(C)nc3C)[C@@H]2C1 ZINC001076547940 781310565 /nfs/dbraw/zinc/31/05/65/781310565.db2.gz UGCYWEZUAPBHED-UONOGXRCSA-N 0 3 305.447 2.482 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3c(C)noc3Cl)[C@@H]2C1 ZINC001076625965 781330676 /nfs/dbraw/zinc/33/06/76/781330676.db2.gz KDVHLWGVZRDZSE-GXTWGEPZSA-N 0 3 323.824 2.288 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCOCC3)[C@@H]2C1 ZINC001076646543 781336931 /nfs/dbraw/zinc/33/69/31/781336931.db2.gz LORIURWOQPVNBG-HYVNUMGLSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CN(C)CCC ZINC001076666674 781342826 /nfs/dbraw/zinc/34/28/26/781342826.db2.gz SDKPJSSHXNUSPK-HNNXBMFYSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)on2)C1 ZINC001102652676 781350596 /nfs/dbraw/zinc/35/05/96/781350596.db2.gz FUMFWEBBURDZOZ-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001077165536 781507621 /nfs/dbraw/zinc/50/76/21/781507621.db2.gz RGKGQUAQAWULJS-BRSBDYLESA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncc(F)cc2F)C1 ZINC001091100704 790915223 /nfs/dbraw/zinc/91/52/23/790915223.db2.gz DFFJVBHWSORWCA-UHFFFAOYSA-N 0 3 315.751 2.210 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@]2(C)C1 ZINC001101182400 781791957 /nfs/dbraw/zinc/79/19/57/781791957.db2.gz QBALKDQGZYEOLU-ZCLAENRFSA-N 0 3 318.461 2.019 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c(C)noc2Cl)C[C@@H]1C ZINC000947806225 783235629 /nfs/dbraw/zinc/23/56/29/783235629.db2.gz PAXLNUAMMYNGQI-AAEUAGOBSA-N 0 3 323.824 2.171 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCn1ccnc1 ZINC001099363623 783239882 /nfs/dbraw/zinc/23/98/82/783239882.db2.gz AETAGCOEHRNWEL-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001073867544 790926136 /nfs/dbraw/zinc/92/61/36/790926136.db2.gz ZWWNQBIHLPWQTH-KRWDZBQOSA-N 0 3 318.417 2.092 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c3ccccc3nn2C)C[C@H]1C ZINC000947894993 783260319 /nfs/dbraw/zinc/26/03/19/783260319.db2.gz FDNCRRKEIAGRJW-HUUCEWRRSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncoc1C ZINC001089614022 783277428 /nfs/dbraw/zinc/27/74/28/783277428.db2.gz AKDASCPRAQEMHM-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2OC)C[C@H]1C ZINC000947971462 783280414 /nfs/dbraw/zinc/28/04/14/783280414.db2.gz NCWVKPXOAFAJHY-ZIAGYGMSSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(OC)cccc2OC)C[C@H]1C ZINC000947970716 783280774 /nfs/dbraw/zinc/28/07/74/783280774.db2.gz AOGGTIFUDIAOEW-KGLIPLIRSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000948027514 783296760 /nfs/dbraw/zinc/29/67/60/783296760.db2.gz XSTFQAAKUGMGEM-SUMWQHHRSA-N 0 3 315.417 2.414 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2C2CC2)C[C@@H]1C ZINC000948082402 783314260 /nfs/dbraw/zinc/31/42/60/783314260.db2.gz CEDIYGZYKGRDLO-GXTWGEPZSA-N 0 3 302.422 2.066 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001091148361 790932855 /nfs/dbraw/zinc/93/28/55/790932855.db2.gz KHBBGGHYUZQHBF-NNVWEFMASA-N 0 3 312.841 2.038 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001089664162 783336142 /nfs/dbraw/zinc/33/61/42/783336142.db2.gz DFTFWHOAUPKBBQ-MRXNPFEDSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1conc1CC ZINC001089691432 783357148 /nfs/dbraw/zinc/35/71/48/783357148.db2.gz PPXLHKRAGAXJSB-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1cc(F)ccc1C ZINC001127605260 783408482 /nfs/dbraw/zinc/40/84/82/783408482.db2.gz WBTUOOMITNVYQI-SJORKVTESA-N 0 3 320.408 2.321 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccnn2C(C)C)CC1 ZINC000948408145 783456034 /nfs/dbraw/zinc/45/60/34/783456034.db2.gz LRNMIWJNGVLHCD-OAHLLOKOSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000948439535 783465787 /nfs/dbraw/zinc/46/57/87/783465787.db2.gz RDJSOEIMEQBQGX-GFCCVEGCSA-N 0 3 322.840 2.185 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccsc2COC)CC1 ZINC000948553588 783499723 /nfs/dbraw/zinc/49/97/23/783499723.db2.gz IWOHIYJRWAQQRU-AWEZNQCLSA-N 0 3 320.458 2.454 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000948629974 783539162 /nfs/dbraw/zinc/53/91/62/783539162.db2.gz YXNRIFPLSBKFEE-XLAORIBOSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cn(C(C)C)cn2)CC1 ZINC000948647673 783548282 /nfs/dbraw/zinc/54/82/82/783548282.db2.gz JXNAICSOYQPNDT-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccccn3)C2)s1 ZINC000966143780 783578980 /nfs/dbraw/zinc/57/89/80/783578980.db2.gz QGAOQJNOLUUATC-GFCCVEGCSA-N 0 3 312.398 2.019 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC000966239853 783606930 /nfs/dbraw/zinc/60/69/30/783606930.db2.gz XITDMGYOLDIYSR-RHSMWYFYSA-N 0 3 322.412 2.093 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001085389346 783666687 /nfs/dbraw/zinc/66/66/87/783666687.db2.gz FCHNQHKWVHYWPW-ZACQAIPSSA-N 0 3 320.481 2.182 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)ccc1F ZINC000966907180 783811569 /nfs/dbraw/zinc/81/15/69/783811569.db2.gz NQHSRWCKZXUUOF-CQSZACIVSA-N 0 3 312.348 2.030 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000967156839 783897683 /nfs/dbraw/zinc/89/76/83/783897683.db2.gz PLYVUAHHYJTRDU-DZGCQCFKSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085625694 783901288 /nfs/dbraw/zinc/90/12/88/783901288.db2.gz WWHYOTXDQNBQSB-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001085669683 783943601 /nfs/dbraw/zinc/94/36/01/783943601.db2.gz FLBIDDCHGZRLPX-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nncc2ccccc21 ZINC001085717676 784001958 /nfs/dbraw/zinc/00/19/58/784001958.db2.gz UDPGBEPEHAAUGM-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001085743115 784024082 /nfs/dbraw/zinc/02/40/82/784024082.db2.gz GIAYZSURLXSQHS-HNNXBMFYSA-N 0 3 318.417 2.465 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1-c1ccoc1 ZINC001085740494 784026637 /nfs/dbraw/zinc/02/66/37/784026637.db2.gz SNBAXWLHAVPQGL-CQSZACIVSA-N 0 3 314.389 2.392 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1occc1CN(C)C ZINC001085788637 784081400 /nfs/dbraw/zinc/08/14/00/784081400.db2.gz OVEVMINPKNVCBJ-OAHLLOKOSA-N 0 3 305.422 2.064 20 30 DEEDHN CCN1CCC(N(C)C(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144707623 791003442 /nfs/dbraw/zinc/00/34/42/791003442.db2.gz BARVEOUPJFGAOE-MDZDMXLPSA-N 0 3 300.402 2.368 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCN2C ZINC001085912040 784207860 /nfs/dbraw/zinc/20/78/60/784207860.db2.gz UXZNKSVGLZSQSM-QGZVFWFLSA-N 0 3 313.445 2.401 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001085922708 784221336 /nfs/dbraw/zinc/22/13/36/784221336.db2.gz IOBBIBXSMYULDQ-ZBFHGGJFSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(OC)cc(OC)c1 ZINC001085944862 784242149 /nfs/dbraw/zinc/24/21/49/784242149.db2.gz TUWUNEWAEOQOFH-HNNXBMFYSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984586 784286086 /nfs/dbraw/zinc/28/60/86/784286086.db2.gz HVYKRDCGYQBSIR-QGZVFWFLSA-N 0 3 301.434 2.081 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001085999686 784300999 /nfs/dbraw/zinc/30/09/99/784300999.db2.gz QLXZSVGZNYCBLU-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC000968366191 784329140 /nfs/dbraw/zinc/32/91/40/784329140.db2.gz UEPKUWHBCXMBJE-XJKSGUPXSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458874 784397214 /nfs/dbraw/zinc/39/72/14/784397214.db2.gz FWJDHVGSGKQJOA-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccnn2CCC)C1 ZINC001086097569 784406418 /nfs/dbraw/zinc/40/64/18/784406418.db2.gz KXGWNCMWWLSTKI-BETUJISGSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC001086116299 784416830 /nfs/dbraw/zinc/41/68/30/784416830.db2.gz RGNWKQLQGIEEPF-BETUJISGSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001086146506 784438804 /nfs/dbraw/zinc/43/88/04/784438804.db2.gz LWNSXSRKHXPPFJ-CTASWTNQSA-N 0 3 312.841 2.183 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC000968582844 784478548 /nfs/dbraw/zinc/47/85/48/784478548.db2.gz FFRZCQCSIZZEGH-WMLDXEAASA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624422 784509286 /nfs/dbraw/zinc/50/92/86/784509286.db2.gz SSDKKXKDEPHQIH-LRDDRELGSA-N 0 3 306.356 2.428 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@@H](NCc2ccccc2OC2CC2)C1 ZINC000968627437 784510060 /nfs/dbraw/zinc/51/00/60/784510060.db2.gz ZTFHBFQDNUHGMG-QGZVFWFLSA-N 0 3 324.424 2.332 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC000968634853 784514952 /nfs/dbraw/zinc/51/49/52/784514952.db2.gz BCOVSGGDEQUKRL-MAUKXSAKSA-N 0 3 314.429 2.297 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2c(C)noc2C)C1 ZINC000968641078 784517564 /nfs/dbraw/zinc/51/75/64/784517564.db2.gz XHMQRNCSGGPKGI-LRDDRELGSA-N 0 3 305.422 2.237 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968668560 784531412 /nfs/dbraw/zinc/53/14/12/784531412.db2.gz CPQWEZUIZCXVPT-XJKSGUPXSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001086269842 784534195 /nfs/dbraw/zinc/53/41/95/784534195.db2.gz BCHHULANOXKNNG-TXEJJXNPSA-N 0 3 311.813 2.396 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001086298868 784557817 /nfs/dbraw/zinc/55/78/17/784557817.db2.gz XIMXVFIILAYJQX-CUBALJKWSA-N 0 3 315.392 2.338 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC000968822294 784606367 /nfs/dbraw/zinc/60/63/67/784606367.db2.gz SYZFIPSRINYLGN-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000968854574 784619364 /nfs/dbraw/zinc/61/93/64/784619364.db2.gz UUFDZMJRARQADP-OAHLLOKOSA-N 0 3 302.805 2.195 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC000968861676 784625533 /nfs/dbraw/zinc/62/55/33/784625533.db2.gz QJPWXETUSVQDHT-OAHLLOKOSA-N 0 3 317.437 2.164 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ncc(OC)cc1F ZINC000968885036 784636439 /nfs/dbraw/zinc/63/64/39/784636439.db2.gz JVHDHTZTFFMQSZ-CYBMUJFWSA-N 0 3 321.396 2.390 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001086384284 784639253 /nfs/dbraw/zinc/63/92/53/784639253.db2.gz NQVNIHYHMJLFPS-AJNGGQMLSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC000968909288 784645401 /nfs/dbraw/zinc/64/54/01/784645401.db2.gz BOQSFNDAFQZHRB-CQSZACIVSA-N 0 3 320.437 2.359 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC000968914217 784647066 /nfs/dbraw/zinc/64/70/66/784647066.db2.gz PLNMEPDYAUXCOT-HNNXBMFYSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001091227859 791047533 /nfs/dbraw/zinc/04/75/33/791047533.db2.gz RWWMYPJUUQJFQQ-WXRRBKDZSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001086476493 784767870 /nfs/dbraw/zinc/76/78/70/784767870.db2.gz PLVVEFFNWCZFQO-XNRPHZJLSA-N 0 3 319.836 2.033 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccn3ccnc23)C1 ZINC001086504057 784799071 /nfs/dbraw/zinc/79/90/71/784799071.db2.gz BTQRTASNGQEHCM-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(CC(C)C)c2)C1 ZINC001086516095 784821550 /nfs/dbraw/zinc/82/15/50/784821550.db2.gz YOHCKHZWASHMQF-CTYIDZIISA-N 0 3 324.856 2.390 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007324978 784887866 /nfs/dbraw/zinc/88/78/66/784887866.db2.gz GDQSEDOSOWGJRU-HUUCEWRRSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001007477692 784930009 /nfs/dbraw/zinc/93/00/09/784930009.db2.gz OMCRHQLQRWPNBK-INIZCTEOSA-N 0 3 322.412 2.294 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001007621486 784963638 /nfs/dbraw/zinc/96/36/38/784963638.db2.gz XTTRBQXNJKYROZ-AWEZNQCLSA-N 0 3 319.836 2.190 20 30 DEEDHN COc1ccc(CN2CC[C@H](N3CC(CC#N)C3)CC2=O)cc1 ZINC001168921422 784968584 /nfs/dbraw/zinc/96/85/84/784968584.db2.gz WDAUCIIERHXPNF-INIZCTEOSA-N 0 3 313.401 2.032 20 30 DEEDHN N#Cc1ccccc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005954 785000259 /nfs/dbraw/zinc/00/02/59/785000259.db2.gz DNFLDFYZRJYYMR-GDBMZVCRSA-N 0 3 314.389 2.126 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2CCC)[C@H](O)C1 ZINC001090419075 785016227 /nfs/dbraw/zinc/01/62/27/785016227.db2.gz DFGCMIKABKGZSF-QZTJIDSGSA-N 0 3 316.445 2.380 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007846733 785025855 /nfs/dbraw/zinc/02/58/55/785025855.db2.gz WPUOCSLDDOOWJO-HNNXBMFYSA-N 0 3 307.397 2.452 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001008131458 785115487 /nfs/dbraw/zinc/11/54/87/785115487.db2.gz SSNTYVICRBEXKL-CQSZACIVSA-N 0 3 314.389 2.302 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001008252068 785150988 /nfs/dbraw/zinc/15/09/88/785150988.db2.gz PAYJOQWURZNZNA-HOCLYGCPSA-N 0 3 312.413 2.400 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001008293624 785163895 /nfs/dbraw/zinc/16/38/95/785163895.db2.gz PIXAXHFMUMYPSV-DZGCQCFKSA-N 0 3 318.421 2.032 20 30 DEEDHN CCOC(=O)[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)CO1 ZINC001169391968 785174292 /nfs/dbraw/zinc/17/42/92/785174292.db2.gz MHCGCLYCOSMLFS-JKSUJKDBSA-N 0 3 302.374 2.101 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001008344723 785178894 /nfs/dbraw/zinc/17/88/94/785178894.db2.gz SBXFCNCKLBUGPF-OAHLLOKOSA-N 0 3 305.422 2.112 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008381125 785185644 /nfs/dbraw/zinc/18/56/44/785185644.db2.gz WNJGUTUFHNDWBL-INIZCTEOSA-N 0 3 304.821 2.486 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCN(CC[C@@H](C)F)C2)c1 ZINC001008470165 785212816 /nfs/dbraw/zinc/21/28/16/785212816.db2.gz UCWRBVOBOBUJKU-CZUORRHYSA-N 0 3 303.381 2.005 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001008848301 785316503 /nfs/dbraw/zinc/31/65/03/785316503.db2.gz LQTLNCFFCJLMLM-LBPRGKRZSA-N 0 3 321.446 2.007 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1nnc(C)n1CC ZINC001169706669 785317886 /nfs/dbraw/zinc/31/78/86/785317886.db2.gz VRJQQFKLYKFWOV-AWEZNQCLSA-N 0 3 321.469 2.337 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)cn1 ZINC001169749586 785335565 /nfs/dbraw/zinc/33/55/65/785335565.db2.gz DASJLWWASNOCCM-GOSISDBHSA-N 0 3 320.396 2.348 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001009363449 785438598 /nfs/dbraw/zinc/43/85/98/785438598.db2.gz ADNSXZHYDVIJAY-AEFFLSMTSA-N 0 3 312.413 2.252 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C)n(C)nc2Cl)C1 ZINC001009365046 785438651 /nfs/dbraw/zinc/43/86/51/785438651.db2.gz UGDFTTDXPYTLOL-LBPRGKRZSA-N 0 3 310.829 2.152 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@H]1CCOC1 ZINC001109248314 785772394 /nfs/dbraw/zinc/77/23/94/785772394.db2.gz DFGRPKYHGIYMSJ-MHORFTMASA-N 0 3 318.461 2.184 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](OCC)C(C)C)C2 ZINC001109399434 785850421 /nfs/dbraw/zinc/85/04/21/785850421.db2.gz JXFWXDWFGURYIO-QZWWFDLISA-N 0 3 306.450 2.182 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccn2C)C1 ZINC001086574734 786389730 /nfs/dbraw/zinc/38/97/30/786389730.db2.gz FVKLCGRUDAFICO-ZWKOTPCHSA-N 0 3 321.424 2.246 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC001113071224 786391521 /nfs/dbraw/zinc/39/15/21/786391521.db2.gz LXAQFFOJKQOGSG-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC001113142854 786413630 /nfs/dbraw/zinc/41/36/30/786413630.db2.gz KBLQHJVOAMQTDV-OAHLLOKOSA-N 0 3 316.449 2.217 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cn(C)nc2Cl)CC1 ZINC001113344131 786537825 /nfs/dbraw/zinc/53/78/25/786537825.db2.gz OQALVQZAFXBDFQ-CYBMUJFWSA-N 0 3 324.856 2.115 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001113357979 786543875 /nfs/dbraw/zinc/54/38/75/786543875.db2.gz WSVAIUGXFPDHPY-BZUAXINKSA-N 0 3 316.449 2.023 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC001113382658 786560150 /nfs/dbraw/zinc/56/01/50/786560150.db2.gz PMIBNAAPILOZHE-AWEZNQCLSA-N 0 3 303.406 2.208 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001014616434 786663056 /nfs/dbraw/zinc/66/30/56/786663056.db2.gz HFCJBOXHEWSMLV-OAHLLOKOSA-N 0 3 316.449 2.082 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001014658399 786686864 /nfs/dbraw/zinc/68/68/64/786686864.db2.gz KWKQFTXBYBZNQZ-QAPCUYQASA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCCOCC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113709452 786771202 /nfs/dbraw/zinc/77/12/02/786771202.db2.gz RARNIJDXMDMWOM-IXDOHACOSA-N 0 3 306.450 2.160 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001015111955 786899711 /nfs/dbraw/zinc/89/97/11/786899711.db2.gz NYUMTHBMOHPXTJ-OAHLLOKOSA-N 0 3 300.402 2.139 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001015479104 787075033 /nfs/dbraw/zinc/07/50/33/787075033.db2.gz ZBVLYTWOSOAYHG-CQSZACIVSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114112115 787105519 /nfs/dbraw/zinc/10/55/19/787105519.db2.gz ULAOUPKGVYHPTF-QLPKVWCKSA-N 0 3 320.458 2.277 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001130342872 787353885 /nfs/dbraw/zinc/35/38/85/787353885.db2.gz RQDLMKYGYXWMSY-HUUCEWRRSA-N 0 3 314.433 2.358 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccncc1Cl)C2 ZINC001096017042 787451798 /nfs/dbraw/zinc/45/17/98/787451798.db2.gz DSHVYCZVOZKCOZ-KBMXLJTQSA-N 0 3 317.820 2.022 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)COC2CCCCC2)c1 ZINC001130683965 787457779 /nfs/dbraw/zinc/45/77/79/787457779.db2.gz KMYFBZFXILATEG-UHFFFAOYSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130706653 787459495 /nfs/dbraw/zinc/45/94/95/787459495.db2.gz QUACGHOETLNZFC-GOEBONIOSA-N 0 3 316.449 2.070 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cccnc2C2CC2)cc1 ZINC001130830725 787481832 /nfs/dbraw/zinc/48/18/32/787481832.db2.gz GBMMBJORACFESE-UHFFFAOYSA-N 0 3 320.396 2.350 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cncnc2C)C1 ZINC001086648234 787481951 /nfs/dbraw/zinc/48/19/51/787481951.db2.gz VNKLXROPNIKFMU-QWHCGFSZSA-N 0 3 308.813 2.026 20 30 DEEDHN C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H](C)CC)n1 ZINC001130876088 787489300 /nfs/dbraw/zinc/48/93/00/787489300.db2.gz QWZURLOXVBYRRG-QLFBSQMISA-N 0 3 320.437 2.143 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H](C)CC)n1 ZINC001130868930 787490339 /nfs/dbraw/zinc/49/03/39/787490339.db2.gz QWZURLOXVBYRRG-ILXRZTDVSA-N 0 3 320.437 2.143 20 30 DEEDHN CCOC(=O)C1=C(Nc2cc(F)cc(CC#N)c2)CCNC1 ZINC001170520881 787495981 /nfs/dbraw/zinc/49/59/81/787495981.db2.gz NEWWGQJEOFMDLC-UHFFFAOYSA-N 0 3 303.337 2.114 20 30 DEEDHN Cc1ccc(CC(=O)NCCNCc2ccc(C#N)s2)cc1 ZINC001130977073 787519351 /nfs/dbraw/zinc/51/93/51/787519351.db2.gz XTRONAVDFSEFAA-UHFFFAOYSA-N 0 3 313.426 2.377 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CCOC(C)C)C2)C1 ZINC001131649172 787671523 /nfs/dbraw/zinc/67/15/23/787671523.db2.gz HGICIYPYYONSTO-AEFFLSMTSA-N 0 3 324.465 2.069 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@]2(CCN(CCCF)C2)O1 ZINC001131657018 787679034 /nfs/dbraw/zinc/67/90/34/787679034.db2.gz CQEMIWMJBJMUHW-QAPCUYQASA-N 0 3 324.440 2.087 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCC#CC)C[C@H](C)O2 ZINC001131677238 787688781 /nfs/dbraw/zinc/68/87/81/787688781.db2.gz JUOLBWDJXOHYGI-HKUYNNGSSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCc2ccoc2)CC[C@H]1C ZINC001131965009 787856604 /nfs/dbraw/zinc/85/66/04/787856604.db2.gz OBCFFRZVSKXKJZ-NVXWUHKLSA-N 0 3 320.433 2.384 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132073808 787917108 /nfs/dbraw/zinc/91/71/08/787917108.db2.gz YFEDRULZYYUEMH-JKSUJKDBSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)c1ccccc1 ZINC001111443717 787999354 /nfs/dbraw/zinc/99/93/54/787999354.db2.gz UNWLBCWXKYNODQ-TVFCKZIOSA-N 0 3 314.429 2.060 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132301752 788009375 /nfs/dbraw/zinc/00/93/75/788009375.db2.gz FQEXDFIPOQSFEC-UHFFFAOYSA-N 0 3 305.378 2.403 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132301950 788010879 /nfs/dbraw/zinc/01/08/79/788010879.db2.gz IZJMOMSLGRHKCG-UHFFFAOYSA-N 0 3 305.378 2.403 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCn3nccc31)C2 ZINC001097366075 788074189 /nfs/dbraw/zinc/07/41/89/788074189.db2.gz ZKWOFSSVSDEGPL-ANQUJSFKSA-N 0 3 314.433 2.058 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3cncc3c1)C2 ZINC001097444941 788099991 /nfs/dbraw/zinc/09/99/91/788099991.db2.gz PGEWJAFYRYCJEF-OIISXLGYSA-N 0 3 310.401 2.246 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2cccc(F)c2)CC[C@@H]1C ZINC001132489544 788102854 /nfs/dbraw/zinc/10/28/54/788102854.db2.gz LNKZUVQHOTWGMK-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)ccc1C)C2 ZINC001097594948 788142209 /nfs/dbraw/zinc/14/22/09/788142209.db2.gz RRXWEBYTHUJWMH-OIISXLGYSA-N 0 3 300.377 2.493 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132650335 788156884 /nfs/dbraw/zinc/15/68/84/788156884.db2.gz JOZYDFHVJWZZPG-CQSZACIVSA-N 0 3 315.417 2.375 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001132663273 788158862 /nfs/dbraw/zinc/15/88/62/788158862.db2.gz TVCXMVCVUDHPED-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@H](CNCc2cc(OC)no2)C1 ZINC001132700657 788173143 /nfs/dbraw/zinc/17/31/43/788173143.db2.gz LCRGMCKQSMUCJZ-ZIAGYGMSSA-N 0 3 321.421 2.224 20 30 DEEDHN Cc1ncc(CNC[C@H]2CN(C(=O)C#CC(C)C)CC[C@@H]2C)o1 ZINC001132809243 788204861 /nfs/dbraw/zinc/20/48/61/788204861.db2.gz NFARNICLOUYEDW-HOCLYGCPSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNCc2cnns2)C1 ZINC001132865071 788212761 /nfs/dbraw/zinc/21/27/61/788212761.db2.gz HMHOVHZOMLEVSL-ZIAGYGMSSA-N 0 3 322.478 2.469 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)c1 ZINC001097813484 788240693 /nfs/dbraw/zinc/24/06/93/788240693.db2.gz ZTYIDRLDYPTHDN-DXEWXGHRSA-N 0 3 315.392 2.146 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C)c1CC)C2 ZINC001097852226 788250414 /nfs/dbraw/zinc/25/04/14/788250414.db2.gz ZVNLHCOIMJJPLB-UNEWFSDZSA-N 0 3 301.434 2.499 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccc(OC)nc2)CCC1 ZINC001133392274 788401213 /nfs/dbraw/zinc/40/12/13/788401213.db2.gz PLYKRCZOZKLNQU-UHFFFAOYSA-N 0 3 303.406 2.042 20 30 DEEDHN C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001133723367 788577159 /nfs/dbraw/zinc/57/71/59/788577159.db2.gz VKDIPBYDQXUWMN-ZIAGYGMSSA-N 0 3 306.406 2.081 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC(F)(F)C(F)F)s1 ZINC001133886588 788665045 /nfs/dbraw/zinc/66/50/45/788665045.db2.gz RNPGURNVLHUBDN-UHFFFAOYSA-N 0 3 323.315 2.116 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)COCCC ZINC001133899987 788670803 /nfs/dbraw/zinc/67/08/03/788670803.db2.gz BSDPGZJFWRNASK-NWDGAFQWSA-N 0 3 321.259 2.195 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)COCCC ZINC001133899988 788670938 /nfs/dbraw/zinc/67/09/38/788670938.db2.gz BSDPGZJFWRNASK-RYUDHWBXSA-N 0 3 321.259 2.195 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NCc1nccs1 ZINC001134160069 788781248 /nfs/dbraw/zinc/78/12/48/788781248.db2.gz GRZCPMGLLRBHTI-MNOVXSKESA-N 0 3 317.418 2.030 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccn(CC)n1 ZINC001134206564 788800426 /nfs/dbraw/zinc/80/04/26/788800426.db2.gz WNBVARXUIHZWSI-LSDHHAIUSA-N 0 3 304.438 2.079 20 30 DEEDHN Cc1nocc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134328601 788874764 /nfs/dbraw/zinc/87/47/64/788874764.db2.gz DZEXXCLKPPYOBT-QWHCGFSZSA-N 0 3 305.422 2.405 20 30 DEEDHN C#CCCCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135189411 789229531 /nfs/dbraw/zinc/22/95/31/789229531.db2.gz ZFJYBFCRTWCTEB-JKSUJKDBSA-N 0 3 318.465 2.377 20 30 DEEDHN C=CC1(CC(=O)NCCNCC(=O)N(C)C(C)C)CCCCC1 ZINC001135190974 789230367 /nfs/dbraw/zinc/23/03/67/789230367.db2.gz QSFYOAYIKKNKNB-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@H](CNC(=O)C1(N(C)C)CCC1)Nc1cccc(F)c1C#N ZINC001098100626 789241080 /nfs/dbraw/zinc/24/10/80/789241080.db2.gz ZODFPOYSQPGYER-GFCCVEGCSA-N 0 3 318.396 2.098 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cc(OC)no1 ZINC001135235626 789253230 /nfs/dbraw/zinc/25/32/30/789253230.db2.gz MJPHPZVLSHMFDZ-NEPJUHHUSA-N 0 3 309.410 2.268 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001135236960 789254245 /nfs/dbraw/zinc/25/42/45/789254245.db2.gz ZQJJFYKDSYHFAB-CHWSQXEVSA-N 0 3 306.454 2.314 20 30 DEEDHN CCN(C)C(C)(C)C(=O)NC[C@@H](C)Nc1cccc(F)c1C#N ZINC001098115708 789264242 /nfs/dbraw/zinc/26/42/42/789264242.db2.gz NKWLAFBSXXIQMQ-GFCCVEGCSA-N 0 3 320.412 2.344 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2cc(OC)no2)C1 ZINC001135427372 789335736 /nfs/dbraw/zinc/33/57/36/789335736.db2.gz QGMXYYQYVQIYJX-QWHCGFSZSA-N 0 3 321.421 2.412 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001070822745 789464245 /nfs/dbraw/zinc/46/42/45/789464245.db2.gz OMLJEZLMAWRZMV-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1CCCCC1)C[C@@H](C)O2 ZINC001071129875 789542914 /nfs/dbraw/zinc/54/29/14/789542914.db2.gz SJAQTFPBFIBRGX-APWZRJJASA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001086806741 789562394 /nfs/dbraw/zinc/56/23/94/789562394.db2.gz LBJSBCLDXBGJEC-XJFOESAGSA-N 0 3 300.830 2.181 20 30 DEEDHN C#CCSCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001135926962 789563496 /nfs/dbraw/zinc/56/34/96/789563496.db2.gz WVLPKEJJVCSYAI-INIZCTEOSA-N 0 3 304.459 2.334 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1coc(C)c1)C[C@@H](C)O2 ZINC001071161906 789567674 /nfs/dbraw/zinc/56/76/74/789567674.db2.gz PTESICWIFKXXRB-CRAIPNDOSA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@@H](C)O2 ZINC001071194804 789584600 /nfs/dbraw/zinc/58/46/00/789584600.db2.gz OFBMWDCHVSFFNQ-VQIMIIECSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CC)CC1)C[C@@H](C)O2 ZINC001071206692 789591386 /nfs/dbraw/zinc/59/13/86/789591386.db2.gz NVAQIFRGLMEPEG-CRAIPNDOSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C)CC=CC1)C[C@@H](C)O2 ZINC001071208907 789593635 /nfs/dbraw/zinc/59/36/35/789593635.db2.gz BMSHIWKGMOZWAY-VQIMIIECSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001071261963 789615253 /nfs/dbraw/zinc/61/52/53/789615253.db2.gz XXEGPXCBGWHPKE-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001086837683 789699601 /nfs/dbraw/zinc/69/96/01/789699601.db2.gz PNBQDXGRJMPIBJ-GXTWGEPZSA-N 0 3 324.856 2.223 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071390531 789699889 /nfs/dbraw/zinc/69/98/89/789699889.db2.gz BSRDFQYQHFFNEG-GXFFZTMASA-N 0 3 310.829 2.362 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001071509031 789748932 /nfs/dbraw/zinc/74/89/32/789748932.db2.gz WPIFMXUAZXSKHW-DLBZAZTESA-N 0 3 319.493 2.243 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C3CCC3)c2)CC[C@H]1C ZINC001071512450 789751869 /nfs/dbraw/zinc/75/18/69/789751869.db2.gz YCVVPAZUQAFLGX-GDBMZVCRSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)CC[C@H]1C ZINC001071579476 789791035 /nfs/dbraw/zinc/79/10/35/789791035.db2.gz FIGHHSKOSBIKLC-HIFRSBDPSA-N 0 3 304.438 2.060 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cnccc2OC)CC[C@@H]1C ZINC001071605569 789809019 /nfs/dbraw/zinc/80/90/19/789809019.db2.gz ADQSMEVJIBYCFE-HOCLYGCPSA-N 0 3 317.433 2.178 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)n2cnc(C)c2)CC[C@H]1C ZINC001071607825 789809408 /nfs/dbraw/zinc/80/94/08/789809408.db2.gz SLRBHCSGLQLOAJ-HZPDHXFCSA-N 0 3 318.465 2.472 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2COC)CC[C@H]1C ZINC001071641988 789835720 /nfs/dbraw/zinc/83/57/20/789835720.db2.gz JJGUESWUYJHQRI-NVXWUHKLSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)CC[C@@H]1C ZINC001071656476 789845301 /nfs/dbraw/zinc/84/53/01/789845301.db2.gz YINMGMXJPJGZPJ-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(COC)c2)CC[C@H]1C ZINC001071659981 789846279 /nfs/dbraw/zinc/84/62/79/789846279.db2.gz NONNBBPWBNNCNH-QAPCUYQASA-N 0 3 314.429 2.439 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@@H]1C ZINC001071667136 789852136 /nfs/dbraw/zinc/85/21/36/789852136.db2.gz UMONIJBFFAYRNS-ZFWWWQNUSA-N 0 3 318.417 2.415 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C3CC3)on2)CC[C@@H]1C ZINC001071715600 789881816 /nfs/dbraw/zinc/88/18/16/789881816.db2.gz IMFCODUGRBSAEP-JSGCOSHPSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cc(F)ccc2F)CC[C@@H]1C ZINC001071775811 789914315 /nfs/dbraw/zinc/91/43/15/789914315.db2.gz INFCJWJFYVTKGG-BBRMVZONSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cn(C)nc2Cl)CC[C@H]1C ZINC001071821282 789930083 /nfs/dbraw/zinc/93/00/83/789930083.db2.gz MCGRDKCLEPQWRQ-TZMCWYRMSA-N 0 3 324.856 2.161 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(CC)cn2)CC[C@H]1C ZINC001071827963 789933161 /nfs/dbraw/zinc/93/31/61/789933161.db2.gz HBYZMOCMMWPLQZ-PBHICJAKSA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3c2OCC3)CC[C@@H]1C ZINC001071834688 789935680 /nfs/dbraw/zinc/93/56/80/789935680.db2.gz BHQTUFPEJYHDTM-GOEBONIOSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3c2OCC3)CC[C@H]1C ZINC001071834687 789935965 /nfs/dbraw/zinc/93/59/65/789935965.db2.gz BHQTUFPEJYHDTM-GDBMZVCRSA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc(CC)c[nH]c2=O)CC[C@@H]1C ZINC001071943002 789981285 /nfs/dbraw/zinc/98/12/85/789981285.db2.gz VHFVCHCGKULJEN-GXTWGEPZSA-N 0 3 303.406 2.118 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c[nH]c3ncccc23)CC[C@H]1C ZINC001072109097 790055979 /nfs/dbraw/zinc/05/59/79/790055979.db2.gz BJYFDDJZDMRRTQ-UKRRQHHQSA-N 0 3 312.417 2.261 20 30 DEEDHN CC(=O)N1CC[C@H](C)[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001072137128 790065633 /nfs/dbraw/zinc/06/56/33/790065633.db2.gz HITODOOKRBKZCI-LRDDRELGSA-N 0 3 303.381 2.291 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)[C@@H]3CCCCO3)C2)C1 ZINC001072743186 790236166 /nfs/dbraw/zinc/23/61/66/790236166.db2.gz CIMDIEUCMQGRCG-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN CC1(C(=O)N2CC3(C2)CCN(Cc2cccc(C#N)c2)C3)CC1 ZINC001072763174 790240462 /nfs/dbraw/zinc/24/04/62/790240462.db2.gz PEZLIFVVPHKMKY-UHFFFAOYSA-N 0 3 309.413 2.393 20 30 DEEDHN N=C(Nc1ccc(Cn2ccnc2)cc1)c1ccc(C(N)=O)cc1 ZINC001171256741 791158499 /nfs/dbraw/zinc/15/84/99/791158499.db2.gz MAPXYIUUBXCNCS-UHFFFAOYSA-N 0 3 319.368 2.067 20 30 DEEDHN C#CCN(CC#C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171281574 791330526 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/nfs/dbraw/zinc/51/43/55/794514355.db2.gz YAQVDYCXCXXKCF-LNLFQRSKSA-N 0 3 318.461 2.330 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001111956267 794534945 /nfs/dbraw/zinc/53/49/45/794534945.db2.gz KRUDYDFSHKQGKQ-FCEWJHQRSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1C(F)(F)F ZINC001112071968 794555058 /nfs/dbraw/zinc/55/50/58/794555058.db2.gz DFUYZUPEZFLDSJ-JHJVBQTASA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1C(F)(F)F ZINC001112076642 794555808 /nfs/dbraw/zinc/55/58/08/794555808.db2.gz IJVQKJYVLCMYBT-CHWSQXEVSA-N 0 3 302.340 2.179 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1C(F)(F)F ZINC001112187026 794569045 /nfs/dbraw/zinc/56/90/45/794569045.db2.gz LUAZWHVIRBJGLQ-YNEHKIRRSA-N 0 3 322.371 2.214 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001177247186 794618769 /nfs/dbraw/zinc/61/87/69/794618769.db2.gz FALAYYBHPMLUIY-AWEZNQCLSA-N 0 3 314.788 2.362 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001115280655 794720263 /nfs/dbraw/zinc/72/02/63/794720263.db2.gz RFSNNSKJRVRSOU-WNRNVDISSA-N 0 3 314.429 2.421 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cncnc2)CCCCC1 ZINC001115510291 794804827 /nfs/dbraw/zinc/80/48/27/794804827.db2.gz OBYMPOMUDJJADT-UHFFFAOYSA-N 0 3 322.840 2.180 20 30 DEEDHN CCO[C@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178178258 794853493 /nfs/dbraw/zinc/85/34/93/794853493.db2.gz FFSNNZFPIUGLNU-JZXOWHBKSA-N 0 3 314.429 2.042 20 30 DEEDHN C#CCCCCC(=O)NCCCCCCNCc1ccn(C)n1 ZINC001178253828 794869816 /nfs/dbraw/zinc/86/98/16/794869816.db2.gz JUAATNGWXXBTFF-UHFFFAOYSA-N 0 3 318.465 2.380 20 30 DEEDHN CCn1ccnc1CNCCCCCCNC(=O)C#CC1CC1 ZINC001178435448 794913114 /nfs/dbraw/zinc/91/31/14/794913114.db2.gz UQOFTPMXXFZDCC-UHFFFAOYSA-N 0 3 316.449 2.083 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)[C@@H]1C ZINC001178791727 794995521 /nfs/dbraw/zinc/99/55/21/794995521.db2.gz QSESCWLGEWSWOC-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC001178808104 795001650 /nfs/dbraw/zinc/00/16/50/795001650.db2.gz WOBNNRLSECOJSY-DOTOQJQBSA-N 0 3 313.401 2.271 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001150842289 795056679 /nfs/dbraw/zinc/05/66/79/795056679.db2.gz RXKDHEPJVBWRJP-OAHLLOKOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1ccn(C)n1 ZINC001179235085 795081954 /nfs/dbraw/zinc/08/19/54/795081954.db2.gz FFWVYBXYGQWIMN-UHFFFAOYSA-N 0 3 306.454 2.399 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@H](C)CN(C)Cc2ccccc2)C1=O ZINC001117565733 795085256 /nfs/dbraw/zinc/08/52/56/795085256.db2.gz FNTHURJHIMAVFD-HIFRSBDPSA-N 0 3 301.390 2.003 20 30 DEEDHN CC#CCCCC(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179316112 795098355 /nfs/dbraw/zinc/09/83/55/795098355.db2.gz RIYPVRNOOJKHQH-UHFFFAOYSA-N 0 3 319.453 2.073 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001179384732 795110350 /nfs/dbraw/zinc/11/03/50/795110350.db2.gz VIUIUDSZFBTFQO-QRTARXTBSA-N 0 3 318.465 2.410 20 30 DEEDHN C#CCC[C@@H](O)CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC001179489710 795123691 /nfs/dbraw/zinc/12/36/91/795123691.db2.gz SCLHGBWOBAWBAR-MRXNPFEDSA-N 0 3 303.793 2.390 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC001180190546 795261159 /nfs/dbraw/zinc/26/11/59/795261159.db2.gz JYHURMJWMHHQPA-BBRMVZONSA-N 0 3 314.385 2.055 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001180432960 795295591 /nfs/dbraw/zinc/29/55/91/795295591.db2.gz ABKORYFDEABMQO-CQSZACIVSA-N 0 3 323.437 2.340 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1nc2ccccc2[nH]1 ZINC001180591489 795341389 /nfs/dbraw/zinc/34/13/89/795341389.db2.gz SGSUUOPAVYHBAY-AWEZNQCLSA-N 0 3 312.417 2.262 20 30 DEEDHN Cc1nc(CNC[C@]2(C)CN(C(=O)[C@H](C)C#N)C[C@H]2C)cs1 ZINC001180921675 795390788 /nfs/dbraw/zinc/39/07/88/795390788.db2.gz UJRLNIMFZZPURE-XHBSWPGZSA-N 0 3 320.462 2.185 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001181469050 795477244 /nfs/dbraw/zinc/47/72/44/795477244.db2.gz IWQURCAVCGGDMY-UKRRQHHQSA-N 0 3 308.447 2.420 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001181694262 795528133 /nfs/dbraw/zinc/52/81/33/795528133.db2.gz KUDHTZHJUWBGDH-HNNXBMFYSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)Cc2ccc(C)o2)CC1 ZINC001151083736 795606968 /nfs/dbraw/zinc/60/69/68/795606968.db2.gz ADQIUGZSTYKOMH-UHFFFAOYSA-N 0 3 320.433 2.304 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(=C)CC1 ZINC001121495529 795639633 /nfs/dbraw/zinc/63/96/33/795639633.db2.gz KEVQTCMTKBCQJE-HNNXBMFYSA-N 0 3 301.438 2.430 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](CF)C1 ZINC001121596787 795656741 /nfs/dbraw/zinc/65/67/41/795656741.db2.gz WPNOXZDEMLAXJW-KBPBESRZSA-N 0 3 307.417 2.069 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001182373474 795662464 /nfs/dbraw/zinc/66/24/64/795662464.db2.gz WZWQRZAHKMTUMV-CQSZACIVSA-N 0 3 305.809 2.085 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCCN(CC)C(=O)C1 ZINC001121972750 795711095 /nfs/dbraw/zinc/71/10/95/795711095.db2.gz TXFAZBGVVZMCOH-OAHLLOKOSA-N 0 3 311.470 2.145 20 30 DEEDHN C=C(C)C[C@@H](NC(=O)c1cc2c(s1)CNCC2)C(=O)OCC ZINC001122213482 795736619 /nfs/dbraw/zinc/73/66/19/795736619.db2.gz GLPGCYSLUWEURF-GFCCVEGCSA-N 0 3 322.430 2.022 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccnn1-c1ccccc1 ZINC001122237322 795738543 /nfs/dbraw/zinc/73/85/43/795738543.db2.gz VWQNWVSFIXGDII-KRWDZBQOSA-N 0 3 312.417 2.215 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1coc2c1ccc(F)c2F ZINC001122452953 795760015 /nfs/dbraw/zinc/76/00/15/795760015.db2.gz STGHGVFTQWWETC-NSHDSACASA-N 0 3 320.295 2.487 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(CC)CC)C1 ZINC001182918526 795782015 /nfs/dbraw/zinc/78/20/15/795782015.db2.gz IQNLMQSBWQIRPF-GDBMZVCRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCOCc1ccccc1 ZINC001183094612 795804537 /nfs/dbraw/zinc/80/45/37/795804537.db2.gz GXEZGUZXQZCWAL-KRWDZBQOSA-N 0 3 302.418 2.360 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C/C=C\c2cccc(F)c2)C1 ZINC001183377655 795869340 /nfs/dbraw/zinc/86/93/40/795869340.db2.gz FFXMVCTYUIUGCO-XTKXOIQPSA-N 0 3 300.377 2.443 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCc2ccco2)cc1F ZINC001123410597 795909429 /nfs/dbraw/zinc/90/94/29/795909429.db2.gz PJWHUEGLFRKYKC-UHFFFAOYSA-N 0 3 315.348 2.129 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1cc(F)ccc1C ZINC001124484699 796070483 /nfs/dbraw/zinc/07/04/83/796070483.db2.gz XIIFZFPXWKYXHE-CQSZACIVSA-N 0 3 308.397 2.321 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](CCO)C2)cc1OC ZINC001138349152 796203470 /nfs/dbraw/zinc/20/34/70/796203470.db2.gz SJTPUGIKVUIRPI-OAHLLOKOSA-N 0 3 303.402 2.302 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ncccc1[O-])C2 ZINC001138390683 796210682 /nfs/dbraw/zinc/21/06/82/796210682.db2.gz DXHWDKILWFMXBA-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ncccc1[O-])C2 ZINC001138390683 796210685 /nfs/dbraw/zinc/21/06/85/796210685.db2.gz DXHWDKILWFMXBA-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C#CCN(Cc1c(C)[nH]c(=O)[nH]c1=O)[C@@H]1CCc2ccccc21 ZINC001138467726 796222976 /nfs/dbraw/zinc/22/29/76/796222976.db2.gz WIFKAOUMYHEWFO-MRXNPFEDSA-N 0 3 309.369 2.319 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)NCc1ccc(OC)cc1 ZINC001185574895 796284593 /nfs/dbraw/zinc/28/45/93/796284593.db2.gz CPMFQYQOZSHZJP-HNNXBMFYSA-N 0 3 303.406 2.145 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202878585 796303412 /nfs/dbraw/zinc/30/34/12/796303412.db2.gz UNKLLPWBMRGDHY-GJZGRUSLSA-N 0 3 317.458 2.320 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@@H](NCc2ccccn2)C12CCC2 ZINC001202887718 796311538 /nfs/dbraw/zinc/31/15/38/796311538.db2.gz LXZOGRMAVNHGOD-SJORKVTESA-N 0 3 309.413 2.012 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001185866121 796329454 /nfs/dbraw/zinc/32/94/54/796329454.db2.gz KUYXBLRNLDPTMC-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001185881358 796333527 /nfs/dbraw/zinc/33/35/27/796333527.db2.gz GTKKKQLDQFCDOG-BDXSIMOUSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001185969308 796345968 /nfs/dbraw/zinc/34/59/68/796345968.db2.gz YGYNWKMVYFTUDX-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001186067220 796351950 /nfs/dbraw/zinc/35/19/50/796351950.db2.gz BNIWHCYQMSIZMS-MRXNPFEDSA-N 0 3 300.377 2.071 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001186090927 796359073 /nfs/dbraw/zinc/35/90/73/796359073.db2.gz ROFKCXHHEAGZAH-FCEWJHQRSA-N 0 3 320.477 2.289 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC4(C[C@@H](O)CO4)CC3)c2c1 ZINC001140110656 796478155 /nfs/dbraw/zinc/47/81/55/796478155.db2.gz OGPKSULWHMHSFL-OAHLLOKOSA-N 0 3 311.385 2.155 20 30 DEEDHN C[NH+](C)Cc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001187295150 796520441 /nfs/dbraw/zinc/52/04/41/796520441.db2.gz QQRUWAXSHMQTEX-UHFFFAOYSA-N 0 3 312.373 2.187 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001187341186 796529198 /nfs/dbraw/zinc/52/91/98/796529198.db2.gz PVPLFRNNEPXNCT-HZPDHXFCSA-N 0 3 323.481 2.206 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccc(CO)o1)CC2 ZINC001140681355 796556349 /nfs/dbraw/zinc/55/63/49/796556349.db2.gz SKQSSKFPXVFQDG-SFHVURJKSA-N 0 3 318.417 2.305 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1nccnc1C)CC2 ZINC001140936992 796602003 /nfs/dbraw/zinc/60/20/03/796602003.db2.gz MDICNMQWUFTRCT-GOSISDBHSA-N 0 3 314.433 2.318 20 30 DEEDHN CCCC[C@H](C(=O)N1CC[C@@H](NCC#CCOC)C1)C(C)C ZINC001188196841 796639102 /nfs/dbraw/zinc/63/91/02/796639102.db2.gz UFJXUROMFAZYGJ-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001188310114 796656485 /nfs/dbraw/zinc/65/64/85/796656485.db2.gz OLRQQWCZEHYHSO-TZMCWYRMSA-N 0 3 323.824 2.017 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2sccc2C)C1 ZINC001188651322 796695673 /nfs/dbraw/zinc/69/56/73/796695673.db2.gz GTGAPLJQGGVWFZ-CQSZACIVSA-N 0 3 308.447 2.405 20 30 DEEDHN CCCCN(CC#N)C(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142343876 796737196 /nfs/dbraw/zinc/73/71/96/796737196.db2.gz NIROAHIIEAAXLX-UHFFFAOYSA-N 0 3 314.433 2.446 20 30 DEEDHN CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001188958633 796746954 /nfs/dbraw/zinc/74/69/54/796746954.db2.gz IGSAJBWTMSCUEO-OAHLLOKOSA-N 0 3 321.421 2.115 20 30 DEEDHN N#Cc1ccc2c(CN3CCC4(C[C@@H](O)CO4)CC3)c[nH]c2c1 ZINC001142915977 796785050 /nfs/dbraw/zinc/78/50/50/796785050.db2.gz LERRELVFQVIORH-OAHLLOKOSA-N 0 3 311.385 2.155 20 30 DEEDHN N#Cc1ccc2c(CN3CCC[C@]4(CNC(=O)O4)C3)c[nH]c2c1 ZINC001142922670 796785713 /nfs/dbraw/zinc/78/57/13/796785713.db2.gz PYORPBHHJVBSBH-KRWDZBQOSA-N 0 3 310.357 2.114 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)CCOCC(F)(F)F)C1 ZINC001189268384 796801416 /nfs/dbraw/zinc/80/14/16/796801416.db2.gz AJVIUAGKJMMNCO-LBPRGKRZSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189369942 796812231 /nfs/dbraw/zinc/81/22/31/796812231.db2.gz GOSOLLKRUCJXMS-VOCYLRNQSA-N 0 3 314.429 2.435 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001189369936 796812495 /nfs/dbraw/zinc/81/24/95/796812495.db2.gz GOSOLLKRUCJXMS-IEODJVTJSA-N 0 3 314.429 2.435 20 30 DEEDHN Cc1ccccc1OCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001189401517 796822543 /nfs/dbraw/zinc/82/25/43/796822543.db2.gz XVURITLOFYRQCF-JKSUJKDBSA-N 0 3 315.417 2.066 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](CC)CC(F)F)C1 ZINC001149835614 796899934 /nfs/dbraw/zinc/89/99/34/796899934.db2.gz LMRWTDVGEDLEDG-ZIAGYGMSSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001189916822 796902751 /nfs/dbraw/zinc/90/27/51/796902751.db2.gz AKAUDZXINNFUTR-RDJZCZTQSA-N 0 3 322.474 2.416 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCOc3ccccc3F)[C@@H]2C1 ZINC001190042446 796925933 /nfs/dbraw/zinc/92/59/33/796925933.db2.gz PQCCPQTUDXFEJX-GOEBONIOSA-N 0 3 318.392 2.313 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001150317716 796934277 /nfs/dbraw/zinc/93/42/77/796934277.db2.gz JKHJZKXMXRYARE-GJZGRUSLSA-N 0 3 320.458 2.082 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)c2ccco2)C1 ZINC001150318885 796935376 /nfs/dbraw/zinc/93/53/76/796935376.db2.gz VMUOZKOXKMREFT-LSDHHAIUSA-N 0 3 306.406 2.166 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COCc3ccccc3)[C@@H]2C1 ZINC001190124960 796944937 /nfs/dbraw/zinc/94/49/37/796944937.db2.gz JKDJBNNMDSXJDB-ZWKOTPCHSA-N 0 3 314.429 2.312 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)s2)c(C)n1C ZINC001150492192 796947234 /nfs/dbraw/zinc/94/72/34/796947234.db2.gz RACVXYIFCOJJOS-UHFFFAOYSA-N 0 3 316.430 2.095 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCc2cccs2)C1 ZINC001150691396 796969636 /nfs/dbraw/zinc/96/96/36/796969636.db2.gz BLLVUHPIYCOFIX-HNNXBMFYSA-N 0 3 322.474 2.464 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001150842287 796983857 /nfs/dbraw/zinc/98/38/57/796983857.db2.gz RXKDHEPJVBWRJP-HNNXBMFYSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccc(F)nc2)CC1 ZINC001151027429 797003134 /nfs/dbraw/zinc/00/31/34/797003134.db2.gz SSDMBPXTXATHON-UHFFFAOYSA-N 0 3 321.396 2.008 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2cc[nH]c2)CC1 ZINC001151131687 797013917 /nfs/dbraw/zinc/01/39/17/797013917.db2.gz BXZHHDTUEAPZTB-UHFFFAOYSA-N 0 3 305.422 2.192 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2cccs2)C1 ZINC001190668061 797043545 /nfs/dbraw/zinc/04/35/45/797043545.db2.gz FZLNBGWTFSELNV-HZPDHXFCSA-N 0 3 324.490 2.422 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@H](CC)CCCCC)C1=O ZINC001151885007 797113046 /nfs/dbraw/zinc/11/30/46/797113046.db2.gz ZXFQHULVKZQJEO-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)COC2CCCCC2)C1 ZINC001191080287 797133556 /nfs/dbraw/zinc/13/35/56/797133556.db2.gz FZNDTAXFUYTJHH-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)OCc2ccccc2)C1 ZINC001191295354 797174241 /nfs/dbraw/zinc/17/42/41/797174241.db2.gz LFVYSJKMZYZXMF-RDJZCZTQSA-N 0 3 302.418 2.310 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001152577292 797207357 /nfs/dbraw/zinc/20/73/57/797207357.db2.gz PTJGNKVYLJEULJ-LBPRGKRZSA-N 0 3 303.381 2.339 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CSC)C1 ZINC001191814423 797260516 /nfs/dbraw/zinc/26/05/16/797260516.db2.gz GDZBUCJCKNSBAO-RRFJBIMHSA-N 0 3 316.511 2.117 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001191833584 797271950 /nfs/dbraw/zinc/27/19/50/797271950.db2.gz VXEKBNULSGVEFR-NUPWCOBBSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCOCC(=O)NCCNCc1ccc(Cl)s1 ZINC001153080954 797282088 /nfs/dbraw/zinc/28/20/88/797282088.db2.gz JJVQNRKPDQGSBI-UHFFFAOYSA-N 0 3 302.827 2.200 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001153135397 797290713 /nfs/dbraw/zinc/29/07/13/797290713.db2.gz SFJUJCCNGYMHGP-CYBMUJFWSA-N 0 3 302.374 2.230 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001192045648 797310457 /nfs/dbraw/zinc/31/04/57/797310457.db2.gz HWOAWYSRQVRAHX-AEFFLSMTSA-N 0 3 314.429 2.062 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001192225728 797346593 /nfs/dbraw/zinc/34/65/93/797346593.db2.gz BFCQJKOIJIFXLJ-GFCCVEGCSA-N 0 3 311.813 2.017 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001153549498 797351351 /nfs/dbraw/zinc/35/13/51/797351351.db2.gz VTSOPTYRAYMKAN-CABCVRRESA-N 0 3 320.408 2.443 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001153790705 797395519 /nfs/dbraw/zinc/39/55/19/797395519.db2.gz IGQIVPXMISMONY-SNVBAGLBSA-N 0 3 308.813 2.014 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CCc1ccsc1 ZINC001153824359 797404532 /nfs/dbraw/zinc/40/45/32/797404532.db2.gz RLIGAPJCDOMBGQ-OAHLLOKOSA-N 0 3 322.474 2.157 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)o1)C2 ZINC001110449772 797443752 /nfs/dbraw/zinc/44/37/52/797443752.db2.gz BOTXDFJVAHCURU-OIISXLGYSA-N 0 3 318.417 2.055 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COCc2ccccc2C)C1 ZINC001192779597 797445378 /nfs/dbraw/zinc/44/53/78/797445378.db2.gz VOQADNXTBLXRLE-QGZVFWFLSA-N 0 3 302.418 2.230 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2ncn(C)c21 ZINC001154083505 797458977 /nfs/dbraw/zinc/45/89/77/797458977.db2.gz YVAWHYQQQJCPNR-CQSZACIVSA-N 0 3 312.417 2.037 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001154257003 797498054 /nfs/dbraw/zinc/49/80/54/797498054.db2.gz BDEDZHKBAMOROO-HIFRSBDPSA-N 0 3 318.392 2.152 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1([C@H]2CCCCO2)CCC1 ZINC001154279172 797502664 /nfs/dbraw/zinc/50/26/64/797502664.db2.gz XSGBUUGNNIHXGK-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC001193156799 797515213 /nfs/dbraw/zinc/51/52/13/797515213.db2.gz VNCLJLUXXMEDEN-HNNXBMFYSA-N 0 3 317.433 2.241 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001193231841 797526938 /nfs/dbraw/zinc/52/69/38/797526938.db2.gz NKXHPCLTWIBKRD-HUUCEWRRSA-N 0 3 308.447 2.106 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001154505779 797547939 /nfs/dbraw/zinc/54/79/39/797547939.db2.gz SXEBYIYGIQXFJB-CQSZACIVSA-N 0 3 310.401 2.150 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)CCc1ccco1 ZINC001154543972 797558320 /nfs/dbraw/zinc/55/83/20/797558320.db2.gz ACMLTKKYUWTNCV-UHFFFAOYSA-N 0 3 311.385 2.380 20 30 DEEDHN C#CCCCCCC(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001154609483 797573452 /nfs/dbraw/zinc/57/34/52/797573452.db2.gz IBSDFEZJOJTHQV-QGZVFWFLSA-N 0 3 306.450 2.047 20 30 DEEDHN N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccccc2[O-])s1 ZINC001154759996 797605799 /nfs/dbraw/zinc/60/57/99/797605799.db2.gz UWJFRSPCYNOPPN-UHFFFAOYSA-N 0 3 315.398 2.235 20 30 DEEDHN CC(C)CO[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155270053 797722856 /nfs/dbraw/zinc/72/28/56/797722856.db2.gz CPRSMRMGWMMJCH-OAHLLOKOSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155426505 797755475 /nfs/dbraw/zinc/75/54/75/797755475.db2.gz DIBCNSJIFXXQDT-HNNXBMFYSA-N 0 3 315.417 2.135 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1c(C)cccc1C ZINC001155579753 797795679 /nfs/dbraw/zinc/79/56/79/797795679.db2.gz KGRGEKFBMWRDTB-UHFFFAOYSA-N 0 3 317.433 2.304 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCCO2 ZINC001155611719 797804781 /nfs/dbraw/zinc/80/47/81/797804781.db2.gz JTKGDUIXQVEZLQ-AWEZNQCLSA-N 0 3 300.402 2.392 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccn(C(CC)CC)n1 ZINC001155639138 797813481 /nfs/dbraw/zinc/81/34/81/797813481.db2.gz XSYSUSYEWBCIHV-CQSZACIVSA-N 0 3 304.438 2.318 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001155707908 797832918 /nfs/dbraw/zinc/83/29/18/797832918.db2.gz VTOKHTNFTJWJTH-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C=CCCC(=O)N1CCCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC001195191571 797847314 /nfs/dbraw/zinc/84/73/14/797847314.db2.gz LRYGYDJBISBTIO-SFHVURJKSA-N 0 3 316.445 2.091 20 30 DEEDHN N#Cc1cc(Cl)nc(N[C@H]2CCCC[C@@]23CNCCO3)c1 ZINC001155821214 797855911 /nfs/dbraw/zinc/85/59/11/797855911.db2.gz ZYTOUODSCOOANZ-SWLSCSKDSA-N 0 3 306.797 2.320 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC001155914711 797880816 /nfs/dbraw/zinc/88/08/16/797880816.db2.gz LOHUZMNCBVYMFW-PBUYIFKYSA-N 0 3 303.819 2.022 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCCN(CCCCCF)CC2)c1 ZINC001195434218 797906895 /nfs/dbraw/zinc/90/68/95/797906895.db2.gz IXQIHQFCCKLXMZ-UHFFFAOYSA-N 0 3 306.385 2.174 20 30 DEEDHN CCCOCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152221371 797917394 /nfs/dbraw/zinc/91/73/94/797917394.db2.gz NECAMCBDBQUZHS-OAHLLOKOSA-N 0 3 317.433 2.311 20 30 DEEDHN N#Cc1cc(Cl)nnc1N1CCNC[C@H]1c1cccs1 ZINC001156088724 797922462 /nfs/dbraw/zinc/92/24/62/797922462.db2.gz ATGHLDCPKOWIAW-JTQLQIEISA-N 0 3 305.794 2.214 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001206660090 797934283 /nfs/dbraw/zinc/93/42/83/797934283.db2.gz WRBIBNWNKCSDKS-OGHNNQOOSA-N 0 3 310.401 2.264 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001195662049 797941797 /nfs/dbraw/zinc/94/17/97/797941797.db2.gz XOUVJMKVNNDVJE-KCPJHIHWSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001195821801 797971361 /nfs/dbraw/zinc/97/13/61/797971361.db2.gz OCNJPRHGUCHJEM-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN N#CN=C(Nc1ccc(CN2CCCC2)cn1)c1ccncc1 ZINC001156325809 797975582 /nfs/dbraw/zinc/97/55/82/797975582.db2.gz GIRVPVKRUFWWOZ-UHFFFAOYSA-N 0 3 306.373 2.221 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC001156389971 797991668 /nfs/dbraw/zinc/99/16/68/797991668.db2.gz BUTYHYIJFCWJGF-GFCCVEGCSA-N 0 3 312.845 2.266 20 30 DEEDHN CN1CC[C@H](Nc2ccc([C@H](C#N)c3ccccc3F)nn2)C1 ZINC001156580931 798034771 /nfs/dbraw/zinc/03/47/71/798034771.db2.gz MRFHGXGWEJBQIJ-GXTWGEPZSA-N 0 3 311.364 2.387 20 30 DEEDHN Cc1ccc(CCC(=O)NCCNCc2ccc(C#N)s2)o1 ZINC001152275970 798072213 /nfs/dbraw/zinc/07/22/13/798072213.db2.gz PUDATVZBZVAFNF-UHFFFAOYSA-N 0 3 317.414 2.360 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(OCC)c(OC)c1 ZINC001156834035 798091922 /nfs/dbraw/zinc/09/19/22/798091922.db2.gz SWTFLCYOTDHUCA-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCCN(CCCCCF)CC2)c1 ZINC001197118916 798151106 /nfs/dbraw/zinc/15/11/06/798151106.db2.gz ZNZJPVYSYUOCGH-UHFFFAOYSA-N 0 3 317.408 2.351 20 30 DEEDHN C#CCCN1CCCN(C(=O)COCc2ccccc2C)CC1 ZINC001197403628 798182602 /nfs/dbraw/zinc/18/26/02/798182602.db2.gz QDSAEVMVHNMJSD-UHFFFAOYSA-N 0 3 314.429 2.069 20 30 DEEDHN Cc1cc[nH]c1C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001157338619 798185379 /nfs/dbraw/zinc/18/53/79/798185379.db2.gz MHYFTGFLPDIJIA-UHFFFAOYSA-N 0 3 314.364 2.244 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2nnn(C(C)C)c2C)CC1 ZINC001197607237 798216465 /nfs/dbraw/zinc/21/64/65/798216465.db2.gz YAYPYNYLEOEULN-UHFFFAOYSA-N 0 3 319.453 2.282 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001197698556 798227124 /nfs/dbraw/zinc/22/71/24/798227124.db2.gz KDNBYYGRGNIFRA-CHWSQXEVSA-N 0 3 323.462 2.008 20 30 DEEDHN CC(C)(C)c1csc(CNCCCNC(=O)C#CC2CC2)n1 ZINC001157689164 798258486 /nfs/dbraw/zinc/25/84/86/798258486.db2.gz IKCDHFDQHRXHCX-UHFFFAOYSA-N 0 3 319.474 2.450 20 30 DEEDHN NC[C@@]1(F)CCCN(C(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001157740420 798269196 /nfs/dbraw/zinc/26/91/96/798269196.db2.gz OFZRBDGIGKSZDV-IWAYRVGRSA-N 0 3 304.365 2.105 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ocnc1C ZINC001157761855 798272746 /nfs/dbraw/zinc/27/27/46/798272746.db2.gz FMPGVFVVYFJGRV-OAHLLOKOSA-N 0 3 321.421 2.112 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCc2cccs2)C1 ZINC001198458033 798337344 /nfs/dbraw/zinc/33/73/44/798337344.db2.gz BGAQRNHHUVUFNT-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCCN[C@H](CNC(=O)c1ccon1)c1ccccc1OC ZINC001198576187 798357569 /nfs/dbraw/zinc/35/75/69/798357569.db2.gz AKUYIWBPXFZELV-OAHLLOKOSA-N 0 3 315.373 2.320 20 30 DEEDHN C=CCCCN[C@H](CNC(=O)[C@H](C)OC)c1ccccc1OC ZINC001198577375 798357980 /nfs/dbraw/zinc/35/79/80/798357980.db2.gz JAJCNXMTLNJPCT-GOEBONIOSA-N 0 3 320.433 2.443 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CCC(=C)C)C[C@H]1O)c1ccccc1 ZINC001198955377 798420167 /nfs/dbraw/zinc/42/01/67/798420167.db2.gz BKBHGMUIDOANGZ-KZNAEPCWSA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCOC1CCOCC1 ZINC001158731948 798459602 /nfs/dbraw/zinc/45/96/02/798459602.db2.gz HDXKHCMMZBOSBS-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1c(C)n[nH]c1C ZINC001158847389 798477593 /nfs/dbraw/zinc/47/75/93/798477593.db2.gz UBLXSEFEUAMVCK-OAHLLOKOSA-N 0 3 304.438 2.068 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001158894994 798484862 /nfs/dbraw/zinc/48/48/62/798484862.db2.gz YCUPMTRNJGYIQR-GDBMZVCRSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001199532076 798497035 /nfs/dbraw/zinc/49/70/35/798497035.db2.gz VBZJYGAXPSGZCP-HZPDHXFCSA-N 0 3 322.474 2.117 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1cnn(C)c1 ZINC001158976451 798498641 /nfs/dbraw/zinc/49/86/41/798498641.db2.gz CIVVFRDQUYUASF-GOEBONIOSA-N 0 3 304.438 2.023 20 30 DEEDHN C[C@H](Nc1nc(Cl)c(Cl)cc1C#N)[C@@H]1CNCCO1 ZINC001159496311 798572868 /nfs/dbraw/zinc/57/28/68/798572868.db2.gz JJNVYDZWEAZKBA-XVKPBYJWSA-N 0 3 301.177 2.049 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2oc(CC)nc2C)CCC1 ZINC001159644524 798592709 /nfs/dbraw/zinc/59/27/09/798592709.db2.gz QQKZTBCKOYRODN-UHFFFAOYSA-N 0 3 317.433 2.335 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=S)NCc1ccc(OC)cc1 ZINC001200367524 798621082 /nfs/dbraw/zinc/62/10/82/798621082.db2.gz FNGDJXLPYVLCBB-HNNXBMFYSA-N 0 3 319.474 2.310 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CCCC[C@@H](C)CC)CCCO1 ZINC001200598506 798654991 /nfs/dbraw/zinc/65/49/91/798654991.db2.gz PWKIOHGDCUXKRS-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc(CC)ccn2)CC1 ZINC001160253008 798667825 /nfs/dbraw/zinc/66/78/25/798667825.db2.gz GFZLPEJUVZOITA-UHFFFAOYSA-N 0 3 311.429 2.419 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2(C)CCCCCC2)CCCO1 ZINC001200712417 798670736 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305.403 2.411 20 30 DEEDHN COc1cccc(CN2CCC3SC(=O)C=C3C2)c1OC ZINC001203444191 800048726 /nfs/dbraw/zinc/04/87/26/800048726.db2.gz RGOMXDONAZTGPE-CQSZACIVSA-N 0 3 305.399 2.478 20 30 DEEDHN Cc1nc(C#N)cnc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001204502590 800222722 /nfs/dbraw/zinc/22/27/22/800222722.db2.gz JGYNTUMSHXIOKB-UHFFFAOYSA-N 0 3 322.416 2.148 20 30 DEEDHN C=CCN1CC[C@H](N2[C@H](C)C[C@H](C)[C@H](C(=O)OCC)[C@@H]2C)C1=O ZINC000934165616 800278745 /nfs/dbraw/zinc/27/87/45/800278745.db2.gz DVOUTBZBQAOTCR-QRJUGERDSA-N 0 3 322.449 2.071 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001205233757 800326642 /nfs/dbraw/zinc/32/66/42/800326642.db2.gz ZVFBARZQHXBONA-LSDHHAIUSA-N 0 3 324.346 2.388 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H]2CCOC23CCCC3)c(C#N)c1C ZINC000934395080 800342816 /nfs/dbraw/zinc/34/28/16/800342816.db2.gz JINQFEUBIGIDLY-CQSZACIVSA-N 0 3 317.389 2.398 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(CNCc2nccn2C)CC1 ZINC001205395181 800351832 /nfs/dbraw/zinc/35/18/32/800351832.db2.gz 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CCOC(=O)C[C@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC001207107766 800685478 /nfs/dbraw/zinc/68/54/78/800685478.db2.gz BBEGKUNQWWNXJV-UKRRQHHQSA-N 0 3 303.406 2.308 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1cccnc1)C2 ZINC001111101238 800718557 /nfs/dbraw/zinc/71/85/57/800718557.db2.gz QLUZGKMLNFJFIH-HPBDAGMYSA-N 0 3 311.429 2.320 20 30 DEEDHN CC(C)C(=O)N1CCC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001207353960 800735734 /nfs/dbraw/zinc/73/57/34/800735734.db2.gz XOXWEOOGTHEOKU-QGZVFWFLSA-N 0 3 302.393 2.414 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001207709027 800812231 /nfs/dbraw/zinc/81/22/31/800812231.db2.gz LOHHEDRRUGBJBI-JBCIKUTRSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CC1(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CCCCC1 ZINC000935981553 800819326 /nfs/dbraw/zinc/81/93/26/800819326.db2.gz QMUDRDRAFAOVPW-HOTGVXAUSA-N 0 3 306.450 2.181 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207995794 800886789 /nfs/dbraw/zinc/88/67/89/800886789.db2.gz PWTQKYJMZTUHDX-IBGZPJMESA-N 0 3 308.425 2.278 20 30 DEEDHN Cc1cc(CN[C@@H]2CCCN(C(=O)C#CC(C)C)C2)sn1 ZINC001208006226 800890193 /nfs/dbraw/zinc/89/01/93/800890193.db2.gz YEJPLZKERXAVIY-CQSZACIVSA-N 0 3 305.447 2.192 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001208051922 800902217 /nfs/dbraw/zinc/90/22/17/800902217.db2.gz YVPRDUDNVSFLTR-UYTYNIKBSA-N 0 3 320.477 2.452 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001208240763 800936341 /nfs/dbraw/zinc/93/63/41/800936341.db2.gz QJTJTAHRNNNMFI-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCC(=O)N[C@@H](C)C(C)C)C1 ZINC001208255569 800941480 /nfs/dbraw/zinc/94/14/80/800941480.db2.gz LVHLIFZDVIDYJZ-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208393648 800974205 /nfs/dbraw/zinc/97/42/05/800974205.db2.gz VSMJZEIFUDFNIL-HLLBOEOZSA-N 0 3 318.465 2.001 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001208415927 800979303 /nfs/dbraw/zinc/97/93/03/800979303.db2.gz XXXCPPSVXFWUMX-NXHRZFHOSA-N 0 3 313.445 2.281 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001209145963 801135973 /nfs/dbraw/zinc/13/59/73/801135973.db2.gz JXFKYWVBBMYTLJ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(CCCc2cccnc2)C1 ZINC001209180845 801143897 /nfs/dbraw/zinc/14/38/97/801143897.db2.gz KPEZKGXXGJAVMM-MRXNPFEDSA-N 0 3 303.406 2.391 20 30 DEEDHN CC1(C)OCC(CN2CCN(c3ccc(C#N)cc3)CC2)CO1 ZINC001209196768 801148217 /nfs/dbraw/zinc/14/82/17/801148217.db2.gz OCCJEXBFWMJOAX-UHFFFAOYSA-N 0 3 315.417 2.079 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCC(=O)NCC(C)(C)C)C1 ZINC001209373998 801178531 /nfs/dbraw/zinc/17/85/31/801178531.db2.gz IIRIANYJTSNUNS-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)c(C)c3)C[C@H]1N2C ZINC001229213252 801241847 /nfs/dbraw/zinc/24/18/47/801241847.db2.gz OFDILFVRXLXMKC-OWLYRPNTSA-N 0 3 314.385 2.412 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001229254332 801248602 /nfs/dbraw/zinc/24/86/02/801248602.db2.gz RAXWBOLCOZDCFG-NVXWUHKLSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001210356373 801381672 /nfs/dbraw/zinc/38/16/72/801381672.db2.gz LTRKEPANRGVTIG-JHJVBQTASA-N 0 3 304.356 2.425 20 30 DEEDHN Cc1conc1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001210493990 801412371 /nfs/dbraw/zinc/41/23/71/801412371.db2.gz QIGONKYJZUZRCB-KRWDZBQOSA-N 0 3 323.396 2.229 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001210743394 801456251 /nfs/dbraw/zinc/45/62/51/801456251.db2.gz MYYKDUXLEVXLDZ-HLLBOEOZSA-N 0 3 302.418 2.467 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(C)=O ZINC001230696902 801465518 /nfs/dbraw/zinc/46/55/18/801465518.db2.gz FWQIHGOFIVDXCF-GOEBONIOSA-N 0 3 311.470 2.014 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@@H]1CCOC1)Cc1cccnc1 ZINC001230704453 801468449 /nfs/dbraw/zinc/46/84/49/801468449.db2.gz VYSYSKNEDYJLJR-QGZVFWFLSA-N 0 3 317.433 2.003 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@H](OC)C1 ZINC001213491366 801614623 /nfs/dbraw/zinc/61/46/23/801614623.db2.gz MPDQEWNIYPHKKP-BRWVUGGUSA-N 0 3 320.408 2.479 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)Cc2ccco2)[C@H](OC)C1 ZINC001213569394 801622936 /nfs/dbraw/zinc/62/29/36/801622936.db2.gz KUBQQCNQTKYYRG-DJIMGWMZSA-N 0 3 320.433 2.240 20 30 DEEDHN Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)no1 ZINC001214098032 801674834 /nfs/dbraw/zinc/67/48/34/801674834.db2.gz KZTUJZWJNBOYQP-RDTXWAMCSA-N 0 3 323.396 2.085 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001231670624 801707943 /nfs/dbraw/zinc/70/79/43/801707943.db2.gz KVIATYCIHQOUDP-GOSISDBHSA-N 0 3 315.417 2.096 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001231670624 801707948 /nfs/dbraw/zinc/70/79/48/801707948.db2.gz KVIATYCIHQOUDP-GOSISDBHSA-N 0 3 315.417 2.096 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001214745112 801756632 /nfs/dbraw/zinc/75/66/32/801756632.db2.gz FGFWSJANHXYLMD-QLFBSQMISA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](NCc3cccnc3)C2)CCC1 ZINC001214831386 801764761 /nfs/dbraw/zinc/76/47/61/801764761.db2.gz ADDSYWMVPUPXLV-NVXWUHKLSA-N 0 3 311.429 2.212 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001215436152 801861347 /nfs/dbraw/zinc/86/13/47/801861347.db2.gz GTUDKHBAYYMULC-BZUAXINKSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccccc3C)[C@H]2C1 ZINC001217201007 802052510 /nfs/dbraw/zinc/05/25/10/802052510.db2.gz SQAODDIPXQPVMN-ZWKOTPCHSA-N 0 3 314.429 2.486 20 30 DEEDHN CC1(C#N)CCN(Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001233268160 802058141 /nfs/dbraw/zinc/05/81/41/802058141.db2.gz YEKJPZAEUCFTKI-UHFFFAOYSA-N 0 3 307.419 2.184 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(C)ns3)C2)C1=O ZINC001233310352 802071336 /nfs/dbraw/zinc/07/13/36/802071336.db2.gz CISIARVNNULAQU-MRXNPFEDSA-N 0 3 305.447 2.452 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]2CN(CCCC3CCC3)C[C@@H]21 ZINC001217503908 802080781 /nfs/dbraw/zinc/08/07/81/802080781.db2.gz OGHSDFFXQNGPBH-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCc3ccoc3)[C@H]2C1 ZINC001217619587 802091107 /nfs/dbraw/zinc/09/11/07/802091107.db2.gz CZLJMLFJNOJYCJ-DLBZAZTESA-N 0 3 318.417 2.090 20 30 DEEDHN C#CCCCC(=O)N1CCO[C@@H]2CN(CCCCCC=C)C[C@@H]21 ZINC001217758956 802112131 /nfs/dbraw/zinc/11/21/31/802112131.db2.gz WFAGQIBMCWBFIE-ZWKOTPCHSA-N 0 3 318.461 2.448 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)[C@H]2C[C@H]2C)cc1C#N ZINC001233488706 802129519 /nfs/dbraw/zinc/12/95/19/802129519.db2.gz DXXDXUKMANDBLA-CJNGLKHVSA-N 0 3 315.417 2.161 20 30 DEEDHN N#Cc1c2ccccc2sc1NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001218648345 802221903 /nfs/dbraw/zinc/22/19/03/802221903.db2.gz GPDCYNMIYXNNLS-GFCCVEGCSA-N 0 3 311.370 2.005 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCC3(C)CC3)[C@H]2C1 ZINC001218899618 802256501 /nfs/dbraw/zinc/25/65/01/802256501.db2.gz LPUZWCAOKNZJPM-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnnn1CC ZINC001234099994 802294215 /nfs/dbraw/zinc/29/42/15/802294215.db2.gz PYWIZZDKYJERNE-OAHLLOKOSA-N 0 3 319.453 2.191 20 30 DEEDHN C[NH+]1CCC2(CC[C@@H](COc3cc([O-])cc(C#N)c3)O2)CC1 ZINC001234141377 802306795 /nfs/dbraw/zinc/30/67/95/802306795.db2.gz NPVQATAJBUJFLD-HNNXBMFYSA-N 0 3 302.374 2.286 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001234152659 802312394 /nfs/dbraw/zinc/31/23/94/802312394.db2.gz XBXVYNGWIYDKGB-HUUCEWRRSA-N 0 3 304.438 2.230 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)CSC)[C@@H](O)C1 ZINC001219368122 802320029 /nfs/dbraw/zinc/32/00/29/802320029.db2.gz GDZBUCJCKNSBAO-ZNMIVQPWSA-N 0 3 316.511 2.117 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC001219424831 802326847 /nfs/dbraw/zinc/32/68/47/802326847.db2.gz WXUJHWGAYYQANR-YUELXQCFSA-N 0 3 308.447 2.186 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](O)C1 ZINC001219455353 802335334 /nfs/dbraw/zinc/33/53/34/802335334.db2.gz GHEYYEGGNZTZLP-YUELXQCFSA-N 0 3 310.413 2.300 20 30 DEEDHN CS[C@H](C)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001234279787 802342684 /nfs/dbraw/zinc/34/26/84/802342684.db2.gz FFMLLPYNJMVFAB-GFCCVEGCSA-N 0 3 323.437 2.387 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CN(CCC2CCCCCC2)C[C@@H]1O ZINC001219587663 802352371 /nfs/dbraw/zinc/35/23/71/802352371.db2.gz PMKSXZKIILHQRP-MSOLQXFVSA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCC[C@@H](C)O ZINC001234518133 802399985 /nfs/dbraw/zinc/39/99/85/802399985.db2.gz RWOTXYWKHKNMMT-WBVHZDCISA-N 0 3 308.466 2.449 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)[C@@H](O)C1 ZINC001220680985 802486207 /nfs/dbraw/zinc/48/62/07/802486207.db2.gz CRUFYRSTEGZVDO-BBWFWOEESA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001221024817 802521497 /nfs/dbraw/zinc/52/14/97/802521497.db2.gz FOBKTCTWOYHCCX-NDUQDZPOSA-N 0 3 306.450 2.084 20 30 DEEDHN CN[C@@H](COCc1ccccc1)C(=O)N[C@](C)(C#N)CC(C)C ZINC001221292417 802549672 /nfs/dbraw/zinc/54/96/72/802549672.db2.gz LHNCWBHOFWXAPT-WMZOPIPTSA-N 0 3 317.433 2.236 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CCN(C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001221429273 802571320 /nfs/dbraw/zinc/57/13/20/802571320.db2.gz QAHSNRMJFLHJOZ-KZNAEPCWSA-N 0 3 314.429 2.219 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]2CN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 ZINC001221449071 802574726 /nfs/dbraw/zinc/57/47/26/802574726.db2.gz VZCJGHDTXGRGAN-RRFJBIMHSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001221584726 802595617 /nfs/dbraw/zinc/59/56/17/802595617.db2.gz AKHADTVOTYTJBD-IXDOHACOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001221624237 802598925 /nfs/dbraw/zinc/59/89/25/802598925.db2.gz IUMDYRIRKYNEBH-IAGOWNOFSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001222067551 802636870 /nfs/dbraw/zinc/63/68/70/802636870.db2.gz JNBGXCDLACRFDY-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001222067622 802637177 /nfs/dbraw/zinc/63/71/77/802637177.db2.gz KTUOOIOFXNNPPY-WBVHZDCISA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(C[C@H](C)O)C[C@H]32)CCCC1 ZINC001222146623 802649184 /nfs/dbraw/zinc/64/91/84/802649184.db2.gz RJIJPMCWTLVPSM-ARFHVFGLSA-N 0 3 306.450 2.036 20 30 DEEDHN C=CCCC(=O)NCC1CCN([C@H](C)C(=O)N(CC)CC)CC1 ZINC001222578773 802711024 /nfs/dbraw/zinc/71/10/24/802711024.db2.gz GBJCQGZLWPIKKE-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001223864444 802820030 /nfs/dbraw/zinc/82/00/30/802820030.db2.gz PWQZODNAGHKYRP-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2cc(F)ccc2F)CC1 ZINC001224269177 802853616 /nfs/dbraw/zinc/85/36/16/802853616.db2.gz PGSQKFOMZDTFJA-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN CSCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224646534 802889592 /nfs/dbraw/zinc/88/95/92/802889592.db2.gz CKCYCNSPWKXWDS-IAGOWNOFSA-N 0 3 316.470 2.418 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cc(F)c(F)cc2F)CC1 ZINC001224656570 802890623 /nfs/dbraw/zinc/89/06/23/802890623.db2.gz DOZFXMIPQMYJFB-UHFFFAOYSA-N 0 3 324.346 2.108 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225395533 802960778 /nfs/dbraw/zinc/96/07/78/802960778.db2.gz OHTCBNMAFSBJRY-CGTJXYLNSA-N 0 3 309.413 2.215 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCOc2cccc(C)c2)CC1 ZINC001225417611 802963475 /nfs/dbraw/zinc/96/34/75/802963475.db2.gz IGPDSQBNFABOJD-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ncn1 ZINC001225920975 803029833 /nfs/dbraw/zinc/02/98/33/803029833.db2.gz ITNBZQIBBUYUFJ-IAGOWNOFSA-N 0 3 314.433 2.106 20 30 DEEDHN C[C@H]1CC[C@@H](CN2CCC(NC(=O)C#CC(C)(C)C)CC2)O1 ZINC001227281377 803226397 /nfs/dbraw/zinc/22/63/97/803226397.db2.gz SVCSCCYYWBCSIN-HOCLYGCPSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001227453404 803243042 /nfs/dbraw/zinc/24/30/42/803243042.db2.gz BREHGNDDHRDDOG-SOLBZPMBSA-N 0 3 318.461 2.372 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001227925678 803295474 /nfs/dbraw/zinc/29/54/74/803295474.db2.gz PFUUCCWQMYFUEF-ZIAGYGMSSA-N 0 3 319.453 2.232 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(C)c(C)n2)CC1 ZINC001228274238 803338235 /nfs/dbraw/zinc/33/82/35/803338235.db2.gz SGWFOUATNRKFCA-UHFFFAOYSA-N 0 3 317.433 2.095 20 30 DEEDHN C#CCCCCCC(=O)NC1CCN(CCOCC=C)CC1 ZINC001228637620 803385486 /nfs/dbraw/zinc/38/54/86/803385486.db2.gz WNYZZHBNGACNGD-UHFFFAOYSA-N 0 3 306.450 2.353 20 30 DEEDHN C=CCCCC(=O)NC1CCN(CCc2cnn(CC)c2)CC1 ZINC001228928183 803432627 /nfs/dbraw/zinc/43/26/27/803432627.db2.gz XUNUAHUDEKDCDK-UHFFFAOYSA-N 0 3 318.465 2.382 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)C#CC(C)C)cc1F ZINC001331439736 1149453145 /nfs/dbraw/zinc/45/31/45/1149453145.db2.gz FRCGKNNWUBXEBD-AWEZNQCLSA-N 0 3 320.408 2.430 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnn(CCC(C)C)c1C ZINC001331613063 1149555356 /nfs/dbraw/zinc/55/53/56/1149555356.db2.gz CDIIYFFRWPSZJS-HNNXBMFYSA-N 0 3 318.465 2.311 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CN3CCC2CC3)cc1 ZINC001336082342 1150619519 /nfs/dbraw/zinc/61/95/19/1150619519.db2.gz SKJDWGINTZUQIR-QGZVFWFLSA-N 0 3 300.402 2.004 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COC(F)(F)F)c1 ZINC001343582952 1150754751 /nfs/dbraw/zinc/75/47/51/1150754751.db2.gz NCMQUSGNMKIQGL-JTQLQIEISA-N 0 3 300.236 2.179 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)NCc1ccccc1C ZINC001331787778 1149683978 /nfs/dbraw/zinc/68/39/78/1149683978.db2.gz LTNCCWUZRSQEGO-WMZOPIPTSA-N 0 3 304.434 2.164 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(Nc2ccccn2)CC1 ZINC001344613452 1150832520 /nfs/dbraw/zinc/83/25/20/1150832520.db2.gz KPDAIQSIMLFNIY-OAHLLOKOSA-N 0 3 302.422 2.168 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)c1[nH]nc2c1CCC2 ZINC001404129566 1163471266 /nfs/dbraw/zinc/47/12/66/1163471266.db2.gz RIMPINZJTUKBLJ-UHFFFAOYSA-N 0 3 310.829 2.093 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2conc2C)cc1 ZINC001328389425 1148784454 /nfs/dbraw/zinc/78/44/54/1148784454.db2.gz SVCFPYPIPRMCSH-ZDUSSCGKSA-N 0 3 311.385 2.263 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1c[nH]nn1)CC(C)C ZINC001575072629 1069355217 /nfs/dbraw/zinc/35/52/17/1069355217.db2.gz KUGYIKYTOKZGCK-BBRMVZONSA-N 0 3 307.442 2.028 20 30 DEEDHN C=CC1(CC(=O)N(C)[C@H](C)CNCc2c[nH]nn2)CCCCC1 ZINC001575077779 1069360341 /nfs/dbraw/zinc/36/03/41/1069360341.db2.gz BWNYTLFVTOCIIX-CQSZACIVSA-N 0 3 319.453 2.268 20 30 DEEDHN C=CCCC[C@H](NC(=O)c1cc2c(s1)CCNC2)C(=O)OC ZINC001522743395 1069451043 /nfs/dbraw/zinc/45/10/43/1069451043.db2.gz BILCLMRJGLFAAB-LBPRGKRZSA-N 0 3 322.430 2.022 20 30 DEEDHN C=C(C)[C@@H](CO)[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602752587 1069742997 /nfs/dbraw/zinc/74/29/97/1069742997.db2.gz FFMQSDASBNRHNV-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(C)[C@@H](CO)[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602752587 1069743003 /nfs/dbraw/zinc/74/30/03/1069743003.db2.gz FFMQSDASBNRHNV-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(C)[C@@H](CO)[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602752587 1069743015 /nfs/dbraw/zinc/74/30/15/1069743015.db2.gz FFMQSDASBNRHNV-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(C)[C@@H](CO)[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602752587 1069743023 /nfs/dbraw/zinc/74/30/23/1069743023.db2.gz FFMQSDASBNRHNV-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(CC)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC001350897548 1151422150 /nfs/dbraw/zinc/42/21/50/1151422150.db2.gz DYTMSQDNTYMLHJ-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CCN(C(=O)CN(C)CCC)CC1 ZINC001350905584 1151423903 /nfs/dbraw/zinc/42/39/03/1151423903.db2.gz FJARKRCQIAPGSP-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001350921810 1151427629 /nfs/dbraw/zinc/42/76/29/1151427629.db2.gz FVZJYQSWMRUDER-KRWDZBQOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccccc2CC)CC1 ZINC001328543457 1148808343 /nfs/dbraw/zinc/80/83/43/1148808343.db2.gz VWTLETCBYDWNAG-UHFFFAOYSA-N 0 3 316.445 2.382 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001328557192 1148810307 /nfs/dbraw/zinc/81/03/07/1148810307.db2.gz DRYUUXPZVLABHM-MRXNPFEDSA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001528668887 1070723204 /nfs/dbraw/zinc/72/32/04/1070723204.db2.gz XPAVHWHTMZUKFV-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH]c1=O ZINC001328752327 1148831248 /nfs/dbraw/zinc/83/12/48/1148831248.db2.gz HPMOQBPEWWGOTM-CQSZACIVSA-N 0 3 303.406 2.126 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCOCC(F)F ZINC001328751708 1148831545 /nfs/dbraw/zinc/83/15/45/1148831545.db2.gz AEEBHGJMBUXOHQ-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN C[N@H+](CCCN1CCCC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606120993 1071045249 /nfs/dbraw/zinc/04/52/49/1071045249.db2.gz BGHNHAPDHLLTPD-INIZCTEOSA-N 0 3 301.390 2.102 20 30 DEEDHN C[N@@H+](CCCN1CCCC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606120993 1071045253 /nfs/dbraw/zinc/04/52/53/1071045253.db2.gz BGHNHAPDHLLTPD-INIZCTEOSA-N 0 3 301.390 2.102 20 30 DEEDHN Cc1oncc1CNCC1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001328858954 1148842127 /nfs/dbraw/zinc/84/21/27/1148842127.db2.gz HESVUUTZDFORLW-UHFFFAOYSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCN(C)CCN(CC)c1nc(OC)cc(C(F)(F)F)n1 ZINC001458455122 1058063551 /nfs/dbraw/zinc/06/35/51/1058063551.db2.gz HCWBRYHVJSRXOS-UHFFFAOYSA-N 0 3 318.343 2.448 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](CC)C2)c1 ZINC001459621443 1058194451 /nfs/dbraw/zinc/19/44/51/1058194451.db2.gz KGWPEVGJHLKBJS-HNNXBMFYSA-N 0 3 313.401 2.438 20 30 DEEDHN COCCCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001499877049 1058341271 /nfs/dbraw/zinc/34/12/71/1058341271.db2.gz DCIOVMCHFOWDAE-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN CN(CCc1cccc(C#N)c1)Cc1cc(=O)n2ccccc2n1 ZINC001460665012 1058484945 /nfs/dbraw/zinc/48/49/45/1058484945.db2.gz PXZWVNGRGYVGHO-UHFFFAOYSA-N 0 3 318.380 2.241 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCOCC1CC1 ZINC001500140979 1058520689 /nfs/dbraw/zinc/52/06/89/1058520689.db2.gz MPOWIEKUHZKUKF-MSOLQXFVSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001500294590 1058673398 /nfs/dbraw/zinc/67/33/98/1058673398.db2.gz AKLRODGVHHGBBR-HKUYNNGSSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)Cc2sc(C)nc2C)CC1 ZINC001500436240 1058780103 /nfs/dbraw/zinc/78/01/03/1058780103.db2.gz CVJFVTJGKMZIOB-UHFFFAOYSA-N 0 3 319.474 2.154 20 30 DEEDHN Cc1ncsc1CN1CCC[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001500485441 1058837804 /nfs/dbraw/zinc/83/78/04/1058837804.db2.gz NDIVMUUMBUHWRP-MLGOLLRUSA-N 0 3 320.462 2.330 20 30 DEEDHN Cn1c(CN[C@H]2CCC[C@@H](C#N)C2)cc(=O)n1-c1ccccc1 ZINC001462633417 1058865552 /nfs/dbraw/zinc/86/55/52/1058865552.db2.gz HGESIMZVTXBCBE-CABCVRRESA-N 0 3 310.401 2.348 20 30 DEEDHN CC#CCCCC(=O)NCC1(NC[C@H](F)CC)CCOCC1 ZINC001500581793 1058932906 /nfs/dbraw/zinc/93/29/06/1058932906.db2.gz HSSDYASSVPXMEQ-OAHLLOKOSA-N 0 3 312.429 2.183 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001500619917 1058970175 /nfs/dbraw/zinc/97/01/75/1058970175.db2.gz DGLDHJDUJYBPON-ZDUSSCGKSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2scc(C)c2Cl)C1 ZINC001500680331 1059008459 /nfs/dbraw/zinc/00/84/59/1059008459.db2.gz LWULXXRLVUMAJT-AWEZNQCLSA-N 0 3 314.838 2.063 20 30 DEEDHN C=CCCc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)cc1 ZINC001463832056 1059027700 /nfs/dbraw/zinc/02/77/00/1059027700.db2.gz KOOBWDLBYWSTNL-UHFFFAOYSA-N 0 3 310.463 2.424 20 30 DEEDHN CCC/C=C\CCN1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001501324714 1059448980 /nfs/dbraw/zinc/44/89/80/1059448980.db2.gz YJGUFRHMYUIMEO-HMECNJMJSA-N 0 3 318.461 2.089 20 30 DEEDHN COCC#CCN[C@@H](C)c1ccc(CNC(=O)CC2CC2)cc1 ZINC001501669536 1059620247 /nfs/dbraw/zinc/62/02/47/1059620247.db2.gz AUQGXDTVBGZJQQ-HNNXBMFYSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)Cn1nccc1C ZINC001501668557 1059620458 /nfs/dbraw/zinc/62/04/58/1059620458.db2.gz GIADPMBJEUWNFI-UHFFFAOYSA-N 0 3 312.417 2.126 20 30 DEEDHN COCC#CCN[C@H](C)c1ccc(CNC(=O)C(C)(F)F)cc1 ZINC001501671553 1059623383 /nfs/dbraw/zinc/62/33/83/1059623383.db2.gz ZOHNJOSXIWOQGV-CYBMUJFWSA-N 0 3 324.371 2.258 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cn(C)nc2C)cc1 ZINC001501672577 1059624349 /nfs/dbraw/zinc/62/43/49/1059624349.db2.gz GPEUATSYGJLSQA-CQSZACIVSA-N 0 3 324.428 2.332 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cncnc2CC)cc1 ZINC001501681838 1059631441 /nfs/dbraw/zinc/63/14/41/1059631441.db2.gz ROAHOKGBXFAZKT-AWEZNQCLSA-N 0 3 322.412 2.253 20 30 DEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C#N)nc1 ZINC001468825029 1059855604 /nfs/dbraw/zinc/85/56/04/1059855604.db2.gz BRWUQQSJBUKQGL-UHFFFAOYSA-N 0 3 310.357 2.276 20 30 DEEDHN Cc1nsc(C)c1CN1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001502113776 1059950615 /nfs/dbraw/zinc/95/06/15/1059950615.db2.gz SJGKHLOQFTUXAW-SMDDNHRTSA-N 0 3 320.462 2.390 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)CC1 ZINC001502117535 1059955880 /nfs/dbraw/zinc/95/58/80/1059955880.db2.gz WVTRCHSALKQYCI-SFHVURJKSA-N 0 3 318.461 2.497 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001502373273 1060082661 /nfs/dbraw/zinc/08/26/61/1060082661.db2.gz HAJNHCZVCIPDMQ-HNNXBMFYSA-N 0 3 322.474 2.282 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC001470350830 1060088089 /nfs/dbraw/zinc/08/80/89/1060088089.db2.gz DEPLHFBIOBMHNC-OTBWCIGPSA-N 0 3 305.466 2.456 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCc1cccc(F)c1F ZINC001502403483 1060109521 /nfs/dbraw/zinc/10/95/21/1060109521.db2.gz UDFCLQXJURPPOK-UHFFFAOYSA-N 0 3 308.372 2.311 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC=C(Cl)Cl ZINC001502712270 1060240867 /nfs/dbraw/zinc/24/08/67/1060240867.db2.gz LPQQRTAUNKJENE-CMPLNLGQSA-N 0 3 301.217 2.155 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC1CCCCC1 ZINC001329043405 1148860522 /nfs/dbraw/zinc/86/05/22/1148860522.db2.gz BNLSURCUKLZAEZ-LSDHHAIUSA-N 0 3 323.481 2.274 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@]1(C)CCC[C@H]1C ZINC001327259137 1148505119 /nfs/dbraw/zinc/50/51/19/1148505119.db2.gz ZYRSNNYRMVSUNW-AEFFLSMTSA-N 0 3 308.466 2.243 20 30 DEEDHN C=C/C(C)=C/CC(=O)N1CCC(O)(CNCC(=C)Cl)CC1 ZINC001502881577 1060366776 /nfs/dbraw/zinc/36/67/76/1060366776.db2.gz DAZOUOQNOFOQJZ-WLRTZDKTSA-N 0 3 312.841 2.204 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCN(CCOCC2CC2)[C@@H](C)C1 ZINC001502924622 1060400841 /nfs/dbraw/zinc/40/08/41/1060400841.db2.gz ZBFIZQWBJSPJST-DOTOQJQBSA-N 0 3 306.450 2.042 20 30 DEEDHN CCCCCN1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001503724031 1060462770 /nfs/dbraw/zinc/46/27/70/1060462770.db2.gz XKOWGGXTTJCYPS-HNNXBMFYSA-N 0 3 307.438 2.030 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C2CCCCCC2)CC1 ZINC001503866152 1060473317 /nfs/dbraw/zinc/47/33/17/1060473317.db2.gz SDNIQKAHCDBYPJ-UHFFFAOYSA-N 0 3 308.466 2.476 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1ccon1 ZINC001505414440 1060554908 /nfs/dbraw/zinc/55/49/08/1060554908.db2.gz GHADXTCZQGCARL-IEBWSBKVSA-N 0 3 323.396 2.002 20 30 DEEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C1CCC1 ZINC001505543752 1060690966 /nfs/dbraw/zinc/69/09/66/1060690966.db2.gz CJNZXLUYSYYLGC-KBPBESRZSA-N 0 3 302.393 2.460 20 30 DEEDHN CCOCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001505573798 1060728257 /nfs/dbraw/zinc/72/82/57/1060728257.db2.gz DZINTZBRIQTBQP-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001505608904 1060773479 /nfs/dbraw/zinc/77/34/79/1060773479.db2.gz CXPUSAFQEADHMV-NEPJUHHUSA-N 0 3 301.394 2.021 20 30 DEEDHN COc1cc(CN(C)[C@H](C)CNC(=O)[C@H](C)C#N)ccc1Cl ZINC001505887264 1061089006 /nfs/dbraw/zinc/08/90/06/1061089006.db2.gz OPEAKDUOBIPWQD-VXGBXAGGSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)Cc1ccc(CF)cc1 ZINC001505910267 1061119771 /nfs/dbraw/zinc/11/97/71/1061119771.db2.gz PWGOLIAXGQKOTM-KSSFIOAISA-N 0 3 322.424 2.420 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)CCO[C@@H]1CC1(F)F ZINC001505976637 1061197043 /nfs/dbraw/zinc/19/70/43/1061197043.db2.gz PWJNIJABPQQJPL-QWHCGFSZSA-N 0 3 318.408 2.449 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001479391350 1061434855 /nfs/dbraw/zinc/43/48/55/1061434855.db2.gz GULRWEPGSUFBRJ-UBHSHLNASA-N 0 3 305.426 2.015 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccnn1 ZINC001479526674 1061494508 /nfs/dbraw/zinc/49/45/08/1061494508.db2.gz GMUSLTMGJIADAY-IUODEOHRSA-N 0 3 322.840 2.450 20 30 DEEDHN C#CCCN1CCC[C@@H]2[C@H](NC(=O)C(=O)C(C)(C)C)C(C)(C)[C@H]21 ZINC001479611741 1061518494 /nfs/dbraw/zinc/51/84/94/1061518494.db2.gz IPZYSLROBKMDRF-ILXRZTDVSA-N 0 3 318.461 2.230 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCOCC)C(C)(C)[C@H]21 ZINC001479614865 1061523670 /nfs/dbraw/zinc/52/36/70/1061523670.db2.gz WZBRDJRIKNVULJ-PVAVHDDUSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001479679523 1061589339 /nfs/dbraw/zinc/58/93/39/1061589339.db2.gz MDBGRWDXIQUIFH-CVEARBPZSA-N 0 3 310.482 2.345 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2ccccc2oc1=O ZINC001506050004 1061615193 /nfs/dbraw/zinc/61/51/93/1061615193.db2.gz NEXDYAXTHSRQJK-GFCCVEGCSA-N 0 3 300.358 2.029 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCOC1CCOCC1 ZINC001479738630 1061663430 /nfs/dbraw/zinc/66/34/30/1061663430.db2.gz HDXKHCMMZBOSBS-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(F)ccc(F)c1OC)C1CC1 ZINC001479874219 1061967508 /nfs/dbraw/zinc/96/75/08/1061967508.db2.gz MTLAYFMNISHRGU-UHFFFAOYSA-N 0 3 322.355 2.191 20 30 DEEDHN C=CCCCN1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001479904080 1062024916 /nfs/dbraw/zinc/02/49/16/1062024916.db2.gz SXWCFGOEYJDMMV-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN N#CCSCC(=O)N[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001479945132 1062079714 /nfs/dbraw/zinc/07/97/14/1062079714.db2.gz MZRJAEFBNMPPQK-HOCLYGCPSA-N 0 3 315.442 2.121 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001479947697 1062089626 /nfs/dbraw/zinc/08/96/26/1062089626.db2.gz ALBTYHAUPLBAEW-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1c[nH]c2cnccc12 ZINC001506571524 1062146868 /nfs/dbraw/zinc/14/68/68/1062146868.db2.gz HJURYJPBYRGUJP-MRXNPFEDSA-N 0 3 324.428 2.099 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001480024909 1062203942 /nfs/dbraw/zinc/20/39/42/1062203942.db2.gz OKQBXAWWWLWVDY-SMDDNHRTSA-N 0 3 305.426 2.015 20 30 DEEDHN CCCCCCC[NH+]1CC([C@@H](C)NC(=O)c2cnc[n-]c2=O)C1 ZINC001506632750 1062212737 /nfs/dbraw/zinc/21/27/37/1062212737.db2.gz SGISTXGKYMCTMC-CYBMUJFWSA-N 0 3 320.437 2.203 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001506708060 1062296504 /nfs/dbraw/zinc/29/65/04/1062296504.db2.gz DOKCPVLNSIDYKO-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)CCOCC)C2)C1 ZINC001506718311 1062305747 /nfs/dbraw/zinc/30/57/47/1062305747.db2.gz MVFYORQMAFXXTI-AEFFLSMTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]([C@@H](C)NCc2cnc(C)s2)C1 ZINC001506837432 1062421931 /nfs/dbraw/zinc/42/19/31/1062421931.db2.gz PLGHIDYWDZUEAV-DOMZBBRYSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)[C@@H](C)COC)C1 ZINC001506885296 1062471741 /nfs/dbraw/zinc/47/17/41/1062471741.db2.gz OEHBZSWHQJLETJ-PYJNHQTQSA-N 0 3 302.846 2.142 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCc1nccnc1C ZINC001506933779 1062548494 /nfs/dbraw/zinc/54/84/94/1062548494.db2.gz OIOBEPBRAXZLIH-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](C)OCCC(C)C)C1 ZINC001480271876 1062574234 /nfs/dbraw/zinc/57/42/34/1062574234.db2.gz MZKQFXVMCJBCLA-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN Cc1ncc(CN(C)C2CCN(C(=O)C#CC(C)(C)C)CC2)o1 ZINC001506957095 1062591451 /nfs/dbraw/zinc/59/14/51/1062591451.db2.gz CSSTUYRQUHQCDT-UHFFFAOYSA-N 0 3 317.433 2.455 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCn1ccnc1C ZINC001480327643 1062660090 /nfs/dbraw/zinc/66/00/90/1062660090.db2.gz IKHALIBGOBQXEN-MRXNPFEDSA-N 0 3 304.438 2.128 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001480332493 1062668654 /nfs/dbraw/zinc/66/86/54/1062668654.db2.gz YNZXTNPULOYHSD-IRXDYDNUSA-N 0 3 314.429 2.448 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC[C@@H](F)CC)nc1 ZINC001480364916 1062717418 /nfs/dbraw/zinc/71/74/18/1062717418.db2.gz JGKHTGWWELFQOW-JKSUJKDBSA-N 0 3 317.408 2.395 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnn(CC(C)C)c1CC ZINC001507071590 1062780660 /nfs/dbraw/zinc/78/06/60/1062780660.db2.gz MRHWRAUWMXKJPT-HNNXBMFYSA-N 0 3 318.465 2.175 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC001507075683 1062789084 /nfs/dbraw/zinc/78/90/84/1062789084.db2.gz ZXCBYEPLYOMJJH-OCCSQVGLSA-N 0 3 321.446 2.068 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)CC1(C)CCCCC1 ZINC001507099264 1062828146 /nfs/dbraw/zinc/82/81/46/1062828146.db2.gz CRPQGYCVEBQANI-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CC[C@@H](SC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480445211 1062870475 /nfs/dbraw/zinc/87/04/75/1062870475.db2.gz ALGWHNIFPMLAOS-ZWNOBZJWSA-N 0 3 311.476 2.356 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001507124162 1062876549 /nfs/dbraw/zinc/87/65/49/1062876549.db2.gz GYYQXJANZZJAST-BDXSIMOUSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1csc(C2CC2)n1 ZINC001507130686 1062889424 /nfs/dbraw/zinc/88/94/24/1062889424.db2.gz PLNPRCDCZCAMJA-GFCCVEGCSA-N 0 3 305.447 2.023 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H](NCc2cncn2C)C[C@@H]1C ZINC001507316728 1063084666 /nfs/dbraw/zinc/08/46/66/1063084666.db2.gz CRHJOEIOOAHVPR-JKSUJKDBSA-N 0 3 316.449 2.083 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@@]12CCC[C@@H]1N(CC#CC)CC2)OCC ZINC001507344662 1063131476 /nfs/dbraw/zinc/13/14/76/1063131476.db2.gz LCXXKJVTTUSYEM-JENIJYKNSA-N 0 3 318.461 2.494 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC001507373160 1063179515 /nfs/dbraw/zinc/17/95/15/1063179515.db2.gz OARADBMCXWAJKY-RDJZCZTQSA-N 0 3 320.433 2.302 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(OC)cs2)C1 ZINC001480729150 1063260370 /nfs/dbraw/zinc/26/03/70/1063260370.db2.gz FGMHJLJTXPYMLW-ZDUSSCGKSA-N 0 3 306.431 2.316 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCc2csc(C)n2)C1 ZINC001480735507 1063271821 /nfs/dbraw/zinc/27/18/21/1063271821.db2.gz HXVDGVZIQOZRTC-MRXNPFEDSA-N 0 3 319.474 2.330 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NCC(=O)N(CC)CC)C(C)(C)C1 ZINC001507434091 1063282400 /nfs/dbraw/zinc/28/24/00/1063282400.db2.gz PWFKQVAGGCOFJL-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001507443330 1063293223 /nfs/dbraw/zinc/29/32/23/1063293223.db2.gz OMOAJLNAMGEVBC-MAUKXSAKSA-N 0 3 306.450 2.065 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1(C)C ZINC001507446570 1063295606 /nfs/dbraw/zinc/29/56/06/1063295606.db2.gz YPXKMHSASKNSNY-ZACQAIPSSA-N 0 3 320.477 2.145 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001480773730 1063326486 /nfs/dbraw/zinc/32/64/86/1063326486.db2.gz OOTMNSAUOLONMD-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cnccn1 ZINC001480814937 1063382048 /nfs/dbraw/zinc/38/20/48/1063382048.db2.gz OBPDDFOEAKQNME-ZDUSSCGKSA-N 0 3 308.813 2.204 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc(F)c1Cl ZINC001507695689 1063387700 /nfs/dbraw/zinc/38/77/00/1063387700.db2.gz KLSXPFAOENWDKH-LLVKDONJSA-N 0 3 314.788 2.030 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001507742564 1063402572 /nfs/dbraw/zinc/40/25/72/1063402572.db2.gz OYTCJVJBLHQNNC-NNGSBXSVSA-N 0 3 308.466 2.140 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)Cn2ccc3ccccc32)CC1 ZINC001508067699 1063531769 /nfs/dbraw/zinc/53/17/69/1063531769.db2.gz BOXLTIWFFARPQS-MRXNPFEDSA-N 0 3 323.440 2.491 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2noc3ccccc32)CC1 ZINC001508215417 1063615710 /nfs/dbraw/zinc/61/57/10/1063615710.db2.gz NHGJPQAOWKVJSO-UHFFFAOYSA-N 0 3 311.385 2.305 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)COCCc1ccccc1 ZINC001493168473 1063616124 /nfs/dbraw/zinc/61/61/24/1063616124.db2.gz UEZZOIZWLICEKU-SFHVURJKSA-N 0 3 316.445 2.402 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001493267649 1063679160 /nfs/dbraw/zinc/67/91/60/1063679160.db2.gz AGEJWVFTTHTUAW-NVXWUHKLSA-N 0 3 316.420 2.466 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(Cc1ccc2ncccc2c1)C1CC1 ZINC001493355989 1063741289 /nfs/dbraw/zinc/74/12/89/1063741289.db2.gz BYPBGKLZBHJKOU-AWEZNQCLSA-N 0 3 322.412 2.475 20 30 DEEDHN COc1cccc([C@@H](C)N(CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001493356724 1063742065 /nfs/dbraw/zinc/74/20/65/1063742065.db2.gz LDMMWIJPGNACOQ-UONOGXRCSA-N 0 3 315.417 2.496 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCNCc1ccccc1OC1CC1 ZINC001493537804 1063854110 /nfs/dbraw/zinc/85/41/10/1063854110.db2.gz OQYVYRIDGSJFRR-UHFFFAOYSA-N 0 3 314.429 2.435 20 30 DEEDHN CC[C@@H]1CC[C@H](C(=O)N(C)CCNCc2ccc(C#N)cc2)O1 ZINC001493567830 1063867596 /nfs/dbraw/zinc/86/75/96/1063867596.db2.gz OFHNDUNWGWMOEZ-IAGOWNOFSA-N 0 3 315.417 2.064 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)N[C@@H](C)c2nncn2C)CC1 ZINC001493819607 1063976609 /nfs/dbraw/zinc/97/66/09/1063976609.db2.gz NPHCHNCVTKDPRH-KGLIPLIRSA-N 0 3 319.453 2.059 20 30 DEEDHN CC[C@@H](CN[C@H](CNC(=O)C#CC1CC1)c1ccccc1)OC ZINC001493889159 1064013316 /nfs/dbraw/zinc/01/33/16/1064013316.db2.gz KPBKBCDGJUZIKR-ZWKOTPCHSA-N 0 3 314.429 2.272 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)n2cccn2)C1 ZINC001493939567 1064032249 /nfs/dbraw/zinc/03/22/49/1064032249.db2.gz MXSBIMYSBKZFQZ-JKSUJKDBSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001567303844 1064141341 /nfs/dbraw/zinc/14/13/41/1064141341.db2.gz RFTKXDIKDKQGCI-CYBMUJFWSA-N 0 3 304.381 2.063 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@H]1CCCC[C@@H]1n1cccn1 ZINC001567335360 1064149863 /nfs/dbraw/zinc/14/98/63/1064149863.db2.gz TWAXVUSZVPKCRD-HOTGVXAUSA-N 0 3 304.438 2.239 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001567364585 1064162148 /nfs/dbraw/zinc/16/21/48/1064162148.db2.gz IBITZOFOROYUKA-CVEARBPZSA-N 0 3 300.402 2.147 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN(CCc2ccns2)C1 ZINC001567400709 1064181944 /nfs/dbraw/zinc/18/19/44/1064181944.db2.gz RKXFUSZNECDEPU-AWEZNQCLSA-N 0 3 319.474 2.173 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1c(Cl)cncc1Cl ZINC001567429765 1064196632 /nfs/dbraw/zinc/19/66/32/1064196632.db2.gz AZILHMSOJGYVER-UHFFFAOYSA-N 0 3 314.216 2.463 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)nnc1C)c1ccccc1 ZINC001567659663 1064321656 /nfs/dbraw/zinc/32/16/56/1064321656.db2.gz KOXZUOBTMOBZGR-SFHVURJKSA-N 0 3 322.412 2.177 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H]2CCN(Cc3cnn(C)c3)C2)C1 ZINC001567708424 1064364318 /nfs/dbraw/zinc/36/43/18/1064364318.db2.gz RUWYOBFKOJCCFD-OAHLLOKOSA-N 0 3 316.449 2.105 20 30 DEEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001567723700 1064378375 /nfs/dbraw/zinc/37/83/75/1064378375.db2.gz LSXXBLKWFQCMSH-KRWDZBQOSA-N 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C#CCN1CCC(C)(CNC(=O)[C@@H]2COc3ccccc32)CC1 ZINC001569709723 1065683829 /nfs/dbraw/zinc/68/38/29/1065683829.db2.gz ZEKFBBCYQZPEHU-MRXNPFEDSA-N 0 3 312.413 2.014 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001496768589 1065699746 /nfs/dbraw/zinc/69/97/46/1065699746.db2.gz PXIUNYWMRWMZJL-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CN(CCCOC)CCC1(F)F ZINC001569739120 1065700028 /nfs/dbraw/zinc/70/00/28/1065700028.db2.gz OYIPDQBUIJTMAV-CQSZACIVSA-N 0 3 318.408 2.453 20 30 DEEDHN C=CCCC(=O)NC[C@@]1(O)CCN(C/C=C/c2ccccc2)C1 ZINC001569744758 1065701199 /nfs/dbraw/zinc/70/11/99/1065701199.db2.gz FOVZRRBLVQKCBP-VQFGERMISA-N 0 3 314.429 2.219 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)[C@@H](CNCc2cnns2)C1 ZINC001569847625 1065763390 /nfs/dbraw/zinc/76/33/90/1065763390.db2.gz VUMFYCYUBUBDAU-STQMWFEESA-N 0 3 308.451 2.079 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001626754510 1078262008 /nfs/dbraw/zinc/26/20/08/1078262008.db2.gz 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/nfs/dbraw/zinc/95/77/36/1065957736.db2.gz QGKDHUADSGZPLL-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)CCC2(C)CC2)CC1 ZINC001570185904 1065964142 /nfs/dbraw/zinc/96/41/42/1065964142.db2.gz UYHXCCSYKZJPBU-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)Oc1ccccc1F ZINC001570197835 1065968141 /nfs/dbraw/zinc/96/81/41/1065968141.db2.gz VBAXSCXKEXUUGK-OAHLLOKOSA-N 0 3 320.408 2.397 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)OCCCC)C2 ZINC001570272207 1066001622 /nfs/dbraw/zinc/00/16/22/1066001622.db2.gz XNSFIRHAMBOQLW-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001570291397 1066005107 /nfs/dbraw/zinc/00/51/07/1066005107.db2.gz RCACVXOSAOIUMU-HKUYNNGSSA-N 0 3 320.477 2.335 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2c(C)nsc2C)[C@@H](C)C1 ZINC001570338429 1066018987 /nfs/dbraw/zinc/01/89/87/1066018987.db2.gz DCCKOPFTNJCQFS-LRDDRELGSA-N 0 3 319.474 2.500 20 30 DEEDHN C=CCCC(=O)N(CC)CCNCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC001497359612 1066048883 /nfs/dbraw/zinc/04/88/83/1066048883.db2.gz WDMRKMRWPQHGLM-IYBDPMFKSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC001570402614 1066054291 /nfs/dbraw/zinc/05/42/91/1066054291.db2.gz LRIOQSUNWOVAQM-INIZCTEOSA-N 0 3 319.493 2.360 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(O)(CNCC(=C)Cl)CC1 ZINC001570414389 1066055812 /nfs/dbraw/zinc/05/58/12/1066055812.db2.gz UYMNOVUCFPCTAE-UHFFFAOYSA-N 0 3 314.857 2.284 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CNCc1cc(C)ns1 ZINC001570507180 1066099748 /nfs/dbraw/zinc/09/97/48/1066099748.db2.gz VRJNHPUCZDXRKS-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]c(C)c1C ZINC001570519363 1066103434 /nfs/dbraw/zinc/10/34/34/1066103434.db2.gz KVQKQPMWLRYVED-SJLPKXTDSA-N 0 3 322.412 2.035 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C1(c2ccccc2F)CC1 ZINC001497473592 1066110819 /nfs/dbraw/zinc/11/08/19/1066110819.db2.gz OEFUGSNVUFWFLY-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN C=CCCC(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001497541627 1066133276 /nfs/dbraw/zinc/13/32/76/1066133276.db2.gz QLQFQNBVZJPFSA-PLNGDYQASA-N 0 3 301.365 2.426 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C2CC(F)(F)C2)c1 ZINC001497557015 1066139029 /nfs/dbraw/zinc/13/90/29/1066139029.db2.gz GGPHMCUFSVMQHS-OWOJBTEDSA-N 0 3 319.355 2.366 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1CC=CC1 ZINC001497800002 1066325057 /nfs/dbraw/zinc/32/50/57/1066325057.db2.gz XYEMMKKIZICUAZ-CQSZACIVSA-N 0 3 300.377 2.238 20 30 DEEDHN C[C@@H](C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001498028357 1066467362 /nfs/dbraw/zinc/46/73/62/1066467362.db2.gz XKWWYZQFZRULAJ-UONOGXRCSA-N 0 3 302.393 2.318 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCC(=O)N1CCCCCC1 ZINC001498047091 1066478959 /nfs/dbraw/zinc/47/89/59/1066478959.db2.gz ZCNIBLRBSVDTIR-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001498266164 1066604919 /nfs/dbraw/zinc/60/49/19/1066604919.db2.gz KHJHIVCDROAXKB-KBXCAEBGSA-N 0 3 322.424 2.132 20 30 DEEDHN C=CCN1CCC(NC(=O)c2oc3ccccc3c2CO)CC1 ZINC001632868505 1078392536 /nfs/dbraw/zinc/39/25/36/1078392536.db2.gz NLQWODUETPZHOG-UHFFFAOYSA-N 0 3 314.385 2.305 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CCCC[C@H]2NC(=O)C#CC(C)C)o1 ZINC001498478810 1066734589 /nfs/dbraw/zinc/73/45/89/1066734589.db2.gz BZJDUIZVXAPWSB-DOTOQJQBSA-N 0 3 317.433 2.407 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC001577426256 1066839805 /nfs/dbraw/zinc/83/98/05/1066839805.db2.gz JSNRIDZDFITFRM-GXZWQRSESA-N 0 3 316.511 2.434 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2nsnc2c1 ZINC001634640703 1078434173 /nfs/dbraw/zinc/43/41/73/1078434173.db2.gz LUILFKORRZIBSA-UHFFFAOYSA-N 0 3 304.419 2.271 20 30 DEEDHN CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CC ZINC001498880105 1066936712 /nfs/dbraw/zinc/93/67/12/1066936712.db2.gz AWJMNOVOJQDUCK-GOEBONIOSA-N 0 3 300.402 2.246 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001481277150 1079556307 /nfs/dbraw/zinc/55/63/07/1079556307.db2.gz LIQINHHBWKMLIF-KSSFIOAISA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1c(C)noc1Cl ZINC001499081654 1067077124 /nfs/dbraw/zinc/07/71/24/1067077124.db2.gz DXEZWAMYSXEJRD-LBPRGKRZSA-N 0 3 311.813 2.336 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001499137513 1067115212 /nfs/dbraw/zinc/11/52/12/1067115212.db2.gz IDKGQJXJDMHXAY-IRXDYDNUSA-N 0 3 314.429 2.455 20 30 DEEDHN Cc1ccc(CNC2(CNC(=O)CSCC#N)CC2)cc1F ZINC001499161819 1067124496 /nfs/dbraw/zinc/12/44/96/1067124496.db2.gz ZRFIVCSLHNEQRB-UHFFFAOYSA-N 0 3 321.421 2.129 20 30 DEEDHN CC(C)OCCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001499160672 1067125265 /nfs/dbraw/zinc/12/52/65/1067125265.db2.gz DWOBGULUIIPBQW-UHFFFAOYSA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001499183603 1067133652 /nfs/dbraw/zinc/13/36/52/1067133652.db2.gz XXBBRONXEPBMJB-MNOVXSKESA-N 0 3 307.344 2.424 20 30 DEEDHN CCC[C@@H](C(=O)NC[C@H](C)NCC#CCOC)c1ccccc1 ZINC001266988071 1078483982 /nfs/dbraw/zinc/48/39/82/1078483982.db2.gz BLVCVOFZZIZEIZ-FUHWJXTLSA-N 0 3 316.445 2.314 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)NC(=O)CN(C)CCC)CC1 ZINC001499341093 1067189590 /nfs/dbraw/zinc/18/95/90/1067189590.db2.gz RMJBGZABYOXBDE-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@H](C)NCc1cnc(C)nc1)c1ccccc1 ZINC001266996567 1078487724 /nfs/dbraw/zinc/48/77/24/1078487724.db2.gz HYTPNNOSVNFRED-RDTXWAMCSA-N 0 3 324.428 2.349 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)COCCC)C1 ZINC001499480937 1067234574 /nfs/dbraw/zinc/23/45/74/1067234574.db2.gz KJSLAAOCDWGJFF-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN COc1cc(F)cc(C[C@H](C)NC(=O)[C@H](N)CCCCC#N)c1 ZINC001579158846 1067246273 /nfs/dbraw/zinc/24/62/73/1067246273.db2.gz QGRCDDIMZKXRJV-BLLLJJGKSA-N 0 3 321.396 2.293 20 30 DEEDHN COc1ccc(C2(CNC(=O)[C@H](N)CCCC#N)CCC2)cc1 ZINC001579198897 1067255605 /nfs/dbraw/zinc/25/56/05/1067255605.db2.gz BSCIUNIGDGHGOH-MRXNPFEDSA-N 0 3 315.417 2.254 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1(OC)CCC1 ZINC001279556447 1078511675 /nfs/dbraw/zinc/51/16/75/1078511675.db2.gz QYHOWYUTFKAVGV-CVEARBPZSA-N 0 3 304.434 2.034 20 30 DEEDHN Cc1cc([C@@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(C)o1 ZINC001579567879 1067371750 /nfs/dbraw/zinc/37/17/50/1067371750.db2.gz LEXUOMSGUFADEK-DHFKXCJNSA-N 0 3 301.390 2.213 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001267037555 1078520364 /nfs/dbraw/zinc/52/03/64/1078520364.db2.gz GPVVWWJGCOHVJU-XCMZPOAWSA-N 0 3 321.248 2.071 20 30 DEEDHN Cc1nc(-c2ccccc2NC(=O)[C@H](N)CCCCC#N)no1 ZINC001579842033 1067436510 /nfs/dbraw/zinc/43/65/10/1067436510.db2.gz KMWVGMKYZVTUOY-CYBMUJFWSA-N 0 3 313.361 2.395 20 30 DEEDHN CCCCCCCC[C@H](CO)NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001638550828 1078569468 /nfs/dbraw/zinc/56/94/68/1078569468.db2.gz RCDSLMATDORMDT-ARFHVFGLSA-N 0 3 313.486 2.490 20 30 DEEDHN C=CCC1(C(=O)N[C@H](CNCc2cncn2C)C2CC2)CCC1 ZINC001483585722 1078613991 /nfs/dbraw/zinc/61/39/91/1078613991.db2.gz JKTXBELXMIEQSS-MRXNPFEDSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CC(CNCc2nccn2C)C1 ZINC001570569218 1068011132 /nfs/dbraw/zinc/01/11/32/1068011132.db2.gz CRABONXLVAXQBX-NFOMZHRRSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001570591694 1068025632 /nfs/dbraw/zinc/02/56/32/1068025632.db2.gz AVXIPWDSNKAXPD-ZIAGYGMSSA-N 0 3 308.397 2.320 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1ccn(C(C)C)n1 ZINC001570822513 1068128452 /nfs/dbraw/zinc/12/84/52/1068128452.db2.gz FMKMKRCOYWZOIC-QGZVFWFLSA-N 0 3 316.449 2.001 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001570849282 1068138438 /nfs/dbraw/zinc/13/84/38/1068138438.db2.gz DSABJBFESJDECO-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC001570849774 1068138717 /nfs/dbraw/zinc/13/87/17/1068138717.db2.gz MTEVFQHKZAWKQM-CQSZACIVSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC001570905760 1068155773 /nfs/dbraw/zinc/15/57/73/1068155773.db2.gz ZMIHYAFRHZECID-XHSDSOJGSA-N 0 3 306.450 2.062 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCn2cccn2)CC1(C)C ZINC001570902413 1068156279 /nfs/dbraw/zinc/15/62/79/1068156279.db2.gz RTPRLTPIKABRQO-HZPDHXFCSA-N 0 3 318.465 2.312 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCNCc1cc(F)ccc1F ZINC001571237572 1068199034 /nfs/dbraw/zinc/19/90/34/1068199034.db2.gz WLQOCDMCSYFHMI-RYUDHWBXSA-N 0 3 309.360 2.499 20 30 DEEDHN C=CCC[NH2+]CCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001571262132 1068206460 /nfs/dbraw/zinc/20/64/60/1068206460.db2.gz SOXVNBRTAWOXHJ-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001267211532 1078669383 /nfs/dbraw/zinc/66/93/83/1078669383.db2.gz WVRSRXCTZKYNNE-UHFFFAOYSA-N 0 3 315.417 2.341 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(C(C)C)nn1CC ZINC001571394921 1068271937 /nfs/dbraw/zinc/27/19/37/1068271937.db2.gz VVKATAYUCBBMBE-AWEZNQCLSA-N 0 3 304.438 2.100 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](CO)NCc1ccc(C(C)C)cc1 ZINC001571428901 1068288688 /nfs/dbraw/zinc/28/86/88/1068288688.db2.gz RTLWBBZLMZNJHQ-GOSISDBHSA-N 0 3 316.445 2.036 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cncc(F)c2)[C@@H]1C ZINC001571455707 1068303422 /nfs/dbraw/zinc/30/34/22/1068303422.db2.gz RBDILRKIYHNRPT-XJKSGUPXSA-N 0 3 303.381 2.103 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)c(F)cc2F)C1 ZINC001571482012 1068336939 /nfs/dbraw/zinc/33/69/39/1068336939.db2.gz YEJIVKDPYJWMNC-QWHCGFSZSA-N 0 3 306.356 2.489 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)CCc2ccco2)[C@@H]1C ZINC001571514802 1068373739 /nfs/dbraw/zinc/37/37/39/1068373739.db2.gz KLNMWHHULJPBRQ-RDJZCZTQSA-N 0 3 320.433 2.384 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](CNCCF)C(C)(C)C ZINC001571636725 1068452910 /nfs/dbraw/zinc/45/29/10/1068452910.db2.gz HEKCOBCBNZCQLM-INIZCTEOSA-N 0 3 304.409 2.300 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001267298490 1078744526 /nfs/dbraw/zinc/74/45/26/1078744526.db2.gz PJAXWFIYBJGDIN-KRWDZBQOSA-N 0 3 314.429 2.008 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2cccc3ncccc23)C1 ZINC001267297117 1078743012 /nfs/dbraw/zinc/74/30/12/1078743012.db2.gz BKXDOOGNFMZETE-MRXNPFEDSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001267303746 1078749151 /nfs/dbraw/zinc/74/91/51/1078749151.db2.gz AKLPHOLTVRKPJG-INIZCTEOSA-N 0 3 309.413 2.021 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(NC(C)=O)cc1 ZINC001267319995 1078762385 /nfs/dbraw/zinc/76/23/85/1078762385.db2.gz WHWKLNHFYAOLSY-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN C=CCN(CCNC(=O)c1cnn(-c2ccccc2)c1)C1CC1 ZINC001267328242 1078768640 /nfs/dbraw/zinc/76/86/40/1078768640.db2.gz OPWYVXSRQLOMKO-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001572406881 1068757049 /nfs/dbraw/zinc/75/70/49/1068757049.db2.gz PSBONZUCYYQFPF-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNC1(CNC(=O)c2oc(C(C)C)nc2C)CCC1 ZINC001280522621 1078790470 /nfs/dbraw/zinc/79/04/70/1078790470.db2.gz NVCMPISUPLYACB-UHFFFAOYSA-N 0 3 303.406 2.372 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NC[C@@H](C)O)c2ccccc2)C1 ZINC001267370913 1078799336 /nfs/dbraw/zinc/79/93/36/1078799336.db2.gz UGPZSHMIOXBBQQ-ZBFHGGJFSA-N 0 3 302.418 2.171 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC001267381669 1078814504 /nfs/dbraw/zinc/81/45/04/1078814504.db2.gz FXZNRHULCHTNCS-PBHICJAKSA-N 0 3 312.417 2.157 20 30 DEEDHN C=CCC1(C(=O)OC[C@@H]2CCN2C2CCOCC2)CCOCC1 ZINC001517122192 1068953854 /nfs/dbraw/zinc/95/38/54/1068953854.db2.gz HWTSGOHJFYAGME-INIZCTEOSA-N 0 3 323.433 2.156 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)COc1ccc(F)cc1 ZINC001483703331 1078822648 /nfs/dbraw/zinc/82/26/48/1078822648.db2.gz ZQNPAMNTYXPTRQ-HNNXBMFYSA-N 0 3 306.381 2.361 20 30 DEEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC001518425490 1069003563 /nfs/dbraw/zinc/00/35/63/1069003563.db2.gz GVNWZBYDINCUMM-LEWSCRJBSA-N 0 3 320.776 2.090 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1csc(C)n1 ZINC001668298604 1081338660 /nfs/dbraw/zinc/33/86/60/1081338660.db2.gz FBXGDWSJPMAMLY-SNVBAGLBSA-N 0 3 301.843 2.231 20 30 DEEDHN C#CCOc1ccccc1NC(=O)NC[C@@H]1CCCCN1C ZINC001520259255 1069112725 /nfs/dbraw/zinc/11/27/25/1069112725.db2.gz WUBZNFPLDFYDBM-AWEZNQCLSA-N 0 3 301.390 2.304 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc3n(n2)CCC3)C[C@H]1C ZINC001671217151 1078862730 /nfs/dbraw/zinc/86/27/30/1078862730.db2.gz IIWZFEFGLRCRLZ-HUUCEWRRSA-N 0 3 316.449 2.265 20 30 DEEDHN C=CCn1c(N2CCN([C@H](C)CC)CC2)nnc1C(C)(C)C#N ZINC001520596015 1069157871 /nfs/dbraw/zinc/15/78/71/1069157871.db2.gz IOVSASABLNLRAF-CQSZACIVSA-N 0 3 316.453 2.186 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001267452318 1078858307 /nfs/dbraw/zinc/85/83/07/1078858307.db2.gz ICTIRIKHAUSQAM-QWHCGFSZSA-N 0 3 324.346 2.279 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@](C)(O)C2CC2)C1 ZINC001267455296 1078864297 /nfs/dbraw/zinc/86/42/97/1078864297.db2.gz XTMJFSPNINBVAU-AEFFLSMTSA-N 0 3 308.466 2.427 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC(=O)OCc1ccccc1Cl ZINC001521347205 1069234834 /nfs/dbraw/zinc/23/48/34/1069234834.db2.gz VILLTCOKGBICGS-AWEZNQCLSA-N 0 3 324.808 2.183 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC001521595981 1069255765 /nfs/dbraw/zinc/25/57/65/1069255765.db2.gz FIYWJSYYBUXZEN-INIZCTEOSA-N 0 3 317.433 2.454 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001521908505 1069280771 /nfs/dbraw/zinc/28/07/71/1069280771.db2.gz XDADPUQSBMIUPW-WOPDTQHZSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001574903243 1069292419 /nfs/dbraw/zinc/29/24/19/1069292419.db2.gz NDOFKLXVUQFVKE-CABCVRRESA-N 0 3 303.406 2.053 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)c(C(=O)OC)c(C)n1 ZINC001574908139 1069294233 /nfs/dbraw/zinc/29/42/33/1069294233.db2.gz FPAXJNOKRARXIT-GFCCVEGCSA-N 0 3 305.378 2.107 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc2c(c1)NCC2 ZINC001574920735 1069297774 /nfs/dbraw/zinc/29/77/74/1069297774.db2.gz GGOBELJEZAJFOF-UHFFFAOYSA-N 0 3 301.434 2.163 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001574963472 1069308705 /nfs/dbraw/zinc/30/87/05/1069308705.db2.gz VDHMGNLSBCJYRE-BBRMVZONSA-N 0 3 319.836 2.118 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001483730692 1078896258 /nfs/dbraw/zinc/89/62/58/1078896258.db2.gz UURFETIDBVNMIT-SUMWQHHRSA-N 0 3 320.408 2.452 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc3cccnn32)C1 ZINC001267481380 1078905050 /nfs/dbraw/zinc/90/50/50/1078905050.db2.gz ICQBHOIUTHWGDQ-KRWDZBQOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)CSC)c1ccccc1 ZINC001267517669 1078946451 /nfs/dbraw/zinc/94/64/51/1078946451.db2.gz SFRYEBHPYVJZBI-ZBFHGGJFSA-N 0 3 304.459 2.456 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)CSC)c1ccccc1 ZINC001267517668 1078946663 /nfs/dbraw/zinc/94/66/63/1078946663.db2.gz SFRYEBHPYVJZBI-HOCLYGCPSA-N 0 3 304.459 2.456 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC001267520767 1078950909 /nfs/dbraw/zinc/95/09/09/1078950909.db2.gz NTFQBDMVCDSEFZ-SJORKVTESA-N 0 3 324.428 2.079 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H](NCC=C)c2ccccc2)c1 ZINC001267523401 1078953084 /nfs/dbraw/zinc/95/30/84/1078953084.db2.gz SNSWRKQGMHCKOJ-SFHVURJKSA-N 0 3 305.381 2.310 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3cc(CC)no3)CC2)C1=O ZINC001272572017 1078967235 /nfs/dbraw/zinc/96/72/35/1078967235.db2.gz SCYSSXMJLVBSGI-GOSISDBHSA-N 0 3 315.417 2.075 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)c2c[nH]cc2C)C1 ZINC001267548795 1078979396 /nfs/dbraw/zinc/97/93/96/1078979396.db2.gz MZTCYQNOZUOPFS-MRXNPFEDSA-N 0 3 319.449 2.452 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)cn1 ZINC001267567953 1079002931 /nfs/dbraw/zinc/00/29/31/1079002931.db2.gz RUYJSHUDVNDZFV-VSZOKUSCSA-N 0 3 317.820 2.257 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)COC)C1 ZINC000963198555 1086324510 /nfs/dbraw/zinc/32/45/10/1086324510.db2.gz ZOSMULKSTCISSO-KBPBESRZSA-N 0 3 300.830 2.088 20 30 DEEDHN Cc1nn(C)cc1[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC001645852881 1079027723 /nfs/dbraw/zinc/02/77/23/1079027723.db2.gz BKIRFBDQWJHVJZ-GFCCVEGCSA-N 0 3 311.389 2.280 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001483758297 1079076233 /nfs/dbraw/zinc/07/62/33/1079076233.db2.gz RYUUVFOEFUEKQO-CYBMUJFWSA-N 0 3 307.344 2.184 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H](CNCc2scnc2C)C1 ZINC001649461468 1079129088 /nfs/dbraw/zinc/12/90/88/1079129088.db2.gz YXZOAMACBXIWRX-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN COCC#CCN1CCC2(CCN(C(=O)CC3CCC3)C2)CC1 ZINC001483836412 1079151516 /nfs/dbraw/zinc/15/15/16/1079151516.db2.gz XUDUMBZZJAKKKQ-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481081187 1079162484 /nfs/dbraw/zinc/16/24/84/1079162484.db2.gz XMKSBIPAYMRIHL-CJNGLKHVSA-N 0 3 317.458 2.248 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC001483971335 1079213664 /nfs/dbraw/zinc/21/36/64/1079213664.db2.gz GJFDKNPFHAIQLV-LBPRGKRZSA-N 0 3 304.438 2.287 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H](CNCc1ccns1)C1CCCC1 ZINC001483997740 1079230831 /nfs/dbraw/zinc/23/08/31/1079230831.db2.gz JLZWWQXKQHPRHT-INIZCTEOSA-N 0 3 317.458 2.321 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccn2c(C)cnc2c1 ZINC001481136683 1079244212 /nfs/dbraw/zinc/24/42/12/1079244212.db2.gz MEUZQGPTZFHCOV-UHFFFAOYSA-N 0 3 312.417 2.108 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2ccccc2C)C1 ZINC001484028494 1079253994 /nfs/dbraw/zinc/25/39/94/1079253994.db2.gz ZHHQVOIHHBOCSF-GOSISDBHSA-N 0 3 302.418 2.392 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2ccccc2OC)C1 ZINC001484068807 1079290551 /nfs/dbraw/zinc/29/05/51/1079290551.db2.gz DXUPYUPSBGWHPG-GOSISDBHSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1OCCc2ccccc21)C1CC1 ZINC001481179485 1079296709 /nfs/dbraw/zinc/29/67/09/1079296709.db2.gz FISREEUCAVTGCA-SFHVURJKSA-N 0 3 314.429 2.457 20 30 DEEDHN CN1C(=O)CCC[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001646881414 1074668899 /nfs/dbraw/zinc/66/88/99/1074668899.db2.gz ZERUGYSMKGCQOB-JQWIXIFHSA-N 0 3 303.387 2.208 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCc1nnc(C(C)C)o1 ZINC001646898886 1074679588 /nfs/dbraw/zinc/67/95/88/1074679588.db2.gz SSITZMXOBYXZGP-LLVKDONJSA-N 0 3 301.350 2.218 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2c(C)noc2C)CC1 ZINC001647048492 1074773104 /nfs/dbraw/zinc/77/31/04/1074773104.db2.gz KMGCKASPMFBSII-UHFFFAOYSA-N 0 3 321.421 2.030 20 30 DEEDHN C=CCCCC(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001484141820 1079326312 /nfs/dbraw/zinc/32/63/12/1079326312.db2.gz HVXWUMICDIBLCD-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C(Cl)CN(CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001481199042 1079330430 /nfs/dbraw/zinc/33/04/30/1079330430.db2.gz CVHGSADXHITCAC-KBPBESRZSA-N 0 3 313.873 2.192 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1csc(C#N)c1 ZINC001647212238 1074839627 /nfs/dbraw/zinc/83/96/27/1074839627.db2.gz IIRQIYLBNUULLF-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001484159592 1079334755 /nfs/dbraw/zinc/33/47/55/1079334755.db2.gz VXHMEWIDMVBKTG-RDTXWAMCSA-N 0 3 316.449 2.234 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001484165503 1079340213 /nfs/dbraw/zinc/34/02/13/1079340213.db2.gz VILSDZFUPIJTDQ-RYRKJORJSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001484169595 1079341894 /nfs/dbraw/zinc/34/18/94/1079341894.db2.gz XOSULLJRMOGKPU-MRXNPFEDSA-N 0 3 324.375 2.203 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc3nccn3c2)C1 ZINC001484175060 1079346301 /nfs/dbraw/zinc/34/63/01/1079346301.db2.gz SYUVHUIFELBZPY-IBGZPJMESA-N 0 3 324.428 2.190 20 30 DEEDHN C[C@@H](CC#N)N(C)c1nnc(C2CCN(C)CC2)n1CC1CC1 ZINC001649296705 1075022789 /nfs/dbraw/zinc/02/27/89/1075022789.db2.gz PWCGXUXKQSAMEK-ZDUSSCGKSA-N 0 3 316.453 2.236 20 30 DEEDHN C#CCOc1ccc(C(=O)N(CC)CCN(C)CC=C)cc1 ZINC001556466473 1075032492 /nfs/dbraw/zinc/03/24/92/1075032492.db2.gz ZRFVKKWVDYYHEF-UHFFFAOYSA-N 0 3 300.402 2.279 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001556466621 1075032828 /nfs/dbraw/zinc/03/28/28/1075032828.db2.gz GOIPPKDDJJYDJI-AWEZNQCLSA-N 0 3 304.438 2.045 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC001563606028 1075168339 /nfs/dbraw/zinc/16/83/39/1075168339.db2.gz RSSMVMATFCRDDN-UHFFFAOYSA-N 0 3 317.477 2.457 20 30 DEEDHN C#CC1(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCCC1 ZINC001563634406 1075169042 /nfs/dbraw/zinc/16/90/42/1075169042.db2.gz RNSXOSBOQKKLIU-QGZVFWFLSA-N 0 3 313.445 2.405 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(-c4ccco4)on3)C2)C1 ZINC001565499180 1075179652 /nfs/dbraw/zinc/17/96/52/1075179652.db2.gz QCSCOVJSUIQXPB-UHFFFAOYSA-N 0 3 313.357 2.269 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001565913283 1075205294 /nfs/dbraw/zinc/20/52/94/1075205294.db2.gz BDDUIEUQAAFUST-MVQLRYDASA-N 0 3 318.392 2.207 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1cnn(C)c1 ZINC001565931769 1075207111 /nfs/dbraw/zinc/20/71/11/1075207111.db2.gz VZVSRURRWCHFHB-WFASDCNBSA-N 0 3 324.856 2.393 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccn(C)n1 ZINC001565944021 1075209717 /nfs/dbraw/zinc/20/97/17/1075209717.db2.gz YLOJVDUZCPZNRB-WFASDCNBSA-N 0 3 324.856 2.393 20 30 DEEDHN C=C(C)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)CC)n1 ZINC001565991874 1075213372 /nfs/dbraw/zinc/21/33/72/1075213372.db2.gz XINLLCNVOXAZBW-UHFFFAOYSA-N 0 3 320.437 2.290 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1cccnc1 ZINC001566124305 1075233020 /nfs/dbraw/zinc/23/30/20/1075233020.db2.gz OREAFWRESNXQSP-CVEARBPZSA-N 0 3 317.433 2.348 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccco2)CC(C)(C)C1 ZINC001566128222 1075233808 /nfs/dbraw/zinc/23/38/08/1075233808.db2.gz OQXMTEZOTNLDRW-OAHLLOKOSA-N 0 3 302.418 2.452 20 30 DEEDHN COCC#CCN(CCCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001566584059 1075289293 /nfs/dbraw/zinc/28/92/93/1075289293.db2.gz ANRDCJWPUFNKLU-UHFFFAOYSA-N 0 3 318.461 2.497 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CCC[C@H](F)C1)C1CC1 ZINC001566587913 1075289977 /nfs/dbraw/zinc/28/99/77/1075289977.db2.gz XUDCOWDSJMOJDM-CVEARBPZSA-N 0 3 324.440 2.135 20 30 DEEDHN CC/C=C/CCN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001566619761 1075297947 /nfs/dbraw/zinc/29/79/47/1075297947.db2.gz VELPQDADJKRNKO-BWPKMQGJSA-N 0 3 300.406 2.437 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)CCc2ccon2)CC1 ZINC001566699735 1075320257 /nfs/dbraw/zinc/32/02/57/1075320257.db2.gz LHKSTDNRJCCLIO-UHFFFAOYSA-N 0 3 305.422 2.496 20 30 DEEDHN Cc1cc(CN[C@@H](CNC(=O)C#CC(C)(C)C)C2CC2)sn1 ZINC001566708134 1075322921 /nfs/dbraw/zinc/32/29/21/1075322921.db2.gz FAIKAYVSBZYTRG-HNNXBMFYSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncccc1F ZINC001566754648 1075335760 /nfs/dbraw/zinc/33/57/60/1075335760.db2.gz MJTBFQQXTPLIOD-GASCZTMLSA-N 0 3 317.408 2.405 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001566774811 1075341271 /nfs/dbraw/zinc/34/12/71/1075341271.db2.gz OYFSQLHNVXEIAX-KRWDZBQOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H](NCc2cncs2)C1)OCC ZINC001566841813 1075358264 /nfs/dbraw/zinc/35/82/64/1075358264.db2.gz HAHUQEXZKMFZQR-VNHYZAJKSA-N 0 3 323.462 2.251 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001566877671 1075371455 /nfs/dbraw/zinc/37/14/55/1075371455.db2.gz CRYZUNNFJLWNRX-HZPDHXFCSA-N 0 3 302.418 2.310 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001567002633 1075413670 /nfs/dbraw/zinc/41/36/70/1075413670.db2.gz WFARITKWLKZIHX-CYBMUJFWSA-N 0 3 301.390 2.127 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001567004930 1075414205 /nfs/dbraw/zinc/41/42/05/1075414205.db2.gz WEQJEXVGPFWVMV-KVPUOBJLSA-N 0 3 323.481 2.108 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCOc1ccc(C)cc1C ZINC001567022174 1075418297 /nfs/dbraw/zinc/41/82/97/1075418297.db2.gz QTNSWMBBOGXKHY-MRXNPFEDSA-N 0 3 302.418 2.190 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001567031862 1075419664 /nfs/dbraw/zinc/41/96/64/1075419664.db2.gz DZKKBEVLCILBCC-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN CCCC[C@H](CC)CC(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001567100338 1075431958 /nfs/dbraw/zinc/43/19/58/1075431958.db2.gz WAVRHWVINRTJGA-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC001567198353 1075461062 /nfs/dbraw/zinc/46/10/62/1075461062.db2.gz GKDNATWHAZJCCX-KRWDZBQOSA-N 0 3 312.413 2.181 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001267762468 1079465783 /nfs/dbraw/zinc/46/57/83/1079465783.db2.gz QNXSSWFAICUOKE-HZPDHXFCSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001267767093 1079471468 /nfs/dbraw/zinc/47/14/68/1079471468.db2.gz DFLFUHWIXLLTFU-INIZCTEOSA-N 0 3 318.465 2.190 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001267779081 1079490962 /nfs/dbraw/zinc/49/09/62/1079490962.db2.gz NDJAHUCOPLYIPQ-QGZVFWFLSA-N 0 3 301.434 2.232 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(CCC)C(=O)CN1CCC[C@@H]1C ZINC001581406800 1076070584 /nfs/dbraw/zinc/07/05/84/1076070584.db2.gz RTXCCJRFGYEUHO-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001588539316 1076453136 /nfs/dbraw/zinc/45/31/36/1076453136.db2.gz GPPINLAMGKTXCE-LBPRGKRZSA-N 0 3 316.384 2.092 20 30 DEEDHN C=CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588539316 1076453139 /nfs/dbraw/zinc/45/31/39/1076453139.db2.gz GPPINLAMGKTXCE-LBPRGKRZSA-N 0 3 316.384 2.092 20 30 DEEDHN C=CC[C@H]1CC[C@H]([NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588561152 1076454659 /nfs/dbraw/zinc/45/46/59/1076454659.db2.gz YGMFGNCASNHIIP-JSGCOSHPSA-N 0 3 313.409 2.008 20 30 DEEDHN C=CC[C@H]1CC[C@H]([NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588561152 1076454664 /nfs/dbraw/zinc/45/46/64/1076454664.db2.gz YGMFGNCASNHIIP-JSGCOSHPSA-N 0 3 313.409 2.008 20 30 DEEDHN C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582794 1076456360 /nfs/dbraw/zinc/45/63/60/1076456360.db2.gz OOGOYOBJDZQRKO-CVEARBPZSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582794 1076456364 /nfs/dbraw/zinc/45/63/64/1076456364.db2.gz OOGOYOBJDZQRKO-CVEARBPZSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582794 1076456366 /nfs/dbraw/zinc/45/63/66/1076456366.db2.gz OOGOYOBJDZQRKO-CVEARBPZSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582794 1076456370 /nfs/dbraw/zinc/45/63/70/1076456370.db2.gz OOGOYOBJDZQRKO-CVEARBPZSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCO[C@@H]1C ZINC001588648116 1076459505 /nfs/dbraw/zinc/45/95/05/1076459505.db2.gz GXRPQURRPWFEEJ-CZUORRHYSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCO[C@@H]1C ZINC001588648116 1076459509 /nfs/dbraw/zinc/45/95/09/1076459509.db2.gz GXRPQURRPWFEEJ-CZUORRHYSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCO[C@@H]1C ZINC001588648116 1076459513 /nfs/dbraw/zinc/45/95/13/1076459513.db2.gz GXRPQURRPWFEEJ-CZUORRHYSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCO[C@@H]1C ZINC001588648116 1076459517 /nfs/dbraw/zinc/45/95/17/1076459517.db2.gz GXRPQURRPWFEEJ-CZUORRHYSA-N 0 3 313.405 2.280 20 30 DEEDHN N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001592672893 1076950131 /nfs/dbraw/zinc/95/01/31/1076950131.db2.gz PHTGAVISGBEELL-SWLSCSKDSA-N 0 3 323.404 2.133 20 30 DEEDHN N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001592672893 1076950137 /nfs/dbraw/zinc/95/01/37/1076950137.db2.gz PHTGAVISGBEELL-SWLSCSKDSA-N 0 3 323.404 2.133 20 30 DEEDHN N#CC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC001592673860 1076950383 /nfs/dbraw/zinc/95/03/83/1076950383.db2.gz QTZHZVXIRQIMTQ-ZDUSSCGKSA-N 0 3 321.388 2.245 20 30 DEEDHN N#CC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC001592673860 1076950387 /nfs/dbraw/zinc/95/03/87/1076950387.db2.gz QTZHZVXIRQIMTQ-ZDUSSCGKSA-N 0 3 321.388 2.245 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001592699646 1076955106 /nfs/dbraw/zinc/95/51/06/1076955106.db2.gz GIIVNFFRBKKRSV-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001592699646 1076955110 /nfs/dbraw/zinc/95/51/10/1076955110.db2.gz GIIVNFFRBKKRSV-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001592699646 1076955112 /nfs/dbraw/zinc/95/51/12/1076955112.db2.gz GIIVNFFRBKKRSV-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001592699646 1076955116 /nfs/dbraw/zinc/95/51/16/1076955116.db2.gz GIIVNFFRBKKRSV-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)C2(N(C)C)CCCC2)cc1 ZINC001596952272 1077085688 /nfs/dbraw/zinc/08/56/88/1077085688.db2.gz AEMLIXNWTHTVMJ-UHFFFAOYSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCCC[C@@H](C)[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001609053642 1077750261 /nfs/dbraw/zinc/75/02/61/1077750261.db2.gz OSAJYKPMHYAUCZ-GFCCVEGCSA-N 0 3 311.393 2.349 20 30 DEEDHN C=CCCC[C@@H](C)[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001609053642 1077750264 /nfs/dbraw/zinc/75/02/64/1077750264.db2.gz OSAJYKPMHYAUCZ-GFCCVEGCSA-N 0 3 311.393 2.349 20 30 DEEDHN C/C=C(/C)C(=O)NCc1ccc(CNCC#CCOC)cc1 ZINC001267936055 1079616957 /nfs/dbraw/zinc/61/69/57/1079616957.db2.gz FLYXPRVJJWPNHE-TVPGTPATSA-N 0 3 300.402 2.008 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C[C@@H]2CCCCO2)cc1 ZINC001267936997 1079617111 /nfs/dbraw/zinc/61/71/11/1079617111.db2.gz WBMLOWQDKOKECS-SFHVURJKSA-N 0 3 314.429 2.375 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCN[C@@H](C)C(=O)NC1CCCC1 ZINC001481284858 1079636771 /nfs/dbraw/zinc/63/67/71/1079636771.db2.gz JPUHSNBHOJFPFY-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CO[C@H](C)CC)C1 ZINC001484515644 1079638497 /nfs/dbraw/zinc/63/84/97/1079638497.db2.gz IOEFMKCNOUHVJP-KGLIPLIRSA-N 0 3 302.846 2.382 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CCNCc2cnc(C)cn2)C1 ZINC001484534567 1079648034 /nfs/dbraw/zinc/64/80/34/1079648034.db2.gz ZJGDEDXPMUFTGT-HNNXBMFYSA-N 0 3 316.449 2.325 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCOC2)cc1 ZINC001484559749 1079659934 /nfs/dbraw/zinc/65/99/34/1079659934.db2.gz KOHIDZNRPHUVLY-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cncc(C#C)c2)cc1 ZINC001484561896 1079661936 /nfs/dbraw/zinc/66/19/36/1079661936.db2.gz SHVSWZIOAXQHFC-OAHLLOKOSA-N 0 3 317.392 2.277 20 30 DEEDHN Cc1nc(CNC[C@@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001267986528 1079667718 /nfs/dbraw/zinc/66/77/18/1079667718.db2.gz SUEMKPURJMMCRE-GFCCVEGCSA-N 0 3 307.463 2.343 20 30 DEEDHN Cn1ncc2c1C[C@H](C(=O)C(C#N)c1ncc(F)cc1F)CC2 ZINC001650520437 1079688078 /nfs/dbraw/zinc/68/80/78/1079688078.db2.gz OZKVINYGJNUGER-BXKDBHETSA-N 0 3 316.311 2.075 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001484708600 1079743529 /nfs/dbraw/zinc/74/35/29/1079743529.db2.gz UBTXQNIVUARRKC-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@](C)(OC)c2ccccc2)CC1 ZINC001484723290 1079747014 /nfs/dbraw/zinc/74/70/14/1079747014.db2.gz GKSBELZGXVXILZ-IEBWSBKVSA-N 0 3 314.429 2.152 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1cnnc(C)c1)c1ccccc1 ZINC001481366078 1079759444 /nfs/dbraw/zinc/75/94/44/1079759444.db2.gz TWZUNPLKDNVQPE-KRWDZBQOSA-N 0 3 310.401 2.422 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001484763047 1079776171 /nfs/dbraw/zinc/77/61/71/1079776171.db2.gz AGAZSJNXQIVOMU-ICSRJNTNSA-N 0 3 310.441 2.304 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC2CCOCC2)C1 ZINC001481394152 1079777924 /nfs/dbraw/zinc/77/79/24/1079777924.db2.gz HSALVINEBXVBJW-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn(C)nc1C1CCC1 ZINC001484747340 1079777964 /nfs/dbraw/zinc/77/79/64/1079777964.db2.gz GFOQKNFGXOCJOT-UHFFFAOYSA-N 0 3 316.449 2.105 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(OC)cc(OC)c1 ZINC001484766348 1079791324 /nfs/dbraw/zinc/79/13/24/1079791324.db2.gz PEKRCZSRKFLBQD-UHFFFAOYSA-N 0 3 318.417 2.121 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001484852053 1079823505 /nfs/dbraw/zinc/82/35/05/1079823505.db2.gz XOPSOFNHLUTDCU-SFHVURJKSA-N 0 3 308.466 2.169 20 30 DEEDHN C[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001484886491 1079836756 /nfs/dbraw/zinc/83/67/56/1079836756.db2.gz DITXRIKAJLDRCT-WMLDXEAASA-N 0 3 314.404 2.414 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NCc1ccns1 ZINC001484889950 1079838976 /nfs/dbraw/zinc/83/89/76/1079838976.db2.gz XVNQRXFRQDHLOO-OCCSQVGLSA-N 0 3 305.447 2.129 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC001484946323 1079877732 /nfs/dbraw/zinc/87/77/32/1079877732.db2.gz LWOIBRLKGCKBAT-UHFFFAOYSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC001484964519 1079879567 /nfs/dbraw/zinc/87/95/67/1079879567.db2.gz KTLYZFJPBVNING-GFCCVEGCSA-N 0 3 314.857 2.118 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2cccc(F)c2F)C[C@H]1C ZINC001484987792 1079899932 /nfs/dbraw/zinc/89/99/32/1079899932.db2.gz IGVPWMFHWAKMIO-HIFRSBDPSA-N 0 3 320.383 2.500 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C3CC3)C2)c1 ZINC001652931217 1079906031 /nfs/dbraw/zinc/90/60/31/1079906031.db2.gz BXBJMXDGCRCVMP-HNNXBMFYSA-N 0 3 311.385 2.048 20 30 DEEDHN CC1(C)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001653286124 1079924543 /nfs/dbraw/zinc/92/45/43/1079924543.db2.gz GQXISFBOIHWCMC-UHFFFAOYSA-N 0 3 310.397 2.408 20 30 DEEDHN C=CCCCC(=O)NC1CC(CNCc2nccnc2C)C1 ZINC001485101127 1079973133 /nfs/dbraw/zinc/97/31/33/1079973133.db2.gz NGYUAFNEFIAYOY-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2ccsc2)C1 ZINC001481522916 1079994986 /nfs/dbraw/zinc/99/49/86/1079994986.db2.gz CPADYYZNTJSHTG-OAHLLOKOSA-N 0 3 308.447 2.074 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001481531064 1080007785 /nfs/dbraw/zinc/00/77/85/1080007785.db2.gz SKQKKGBISBOWAR-OAHLLOKOSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1c(C)nnn1CC ZINC001268084266 1080038543 /nfs/dbraw/zinc/03/85/43/1080038543.db2.gz HZKZRGJIDGQGOD-ZDUSSCGKSA-N 0 3 321.469 2.145 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001656105836 1080044822 /nfs/dbraw/zinc/04/48/22/1080044822.db2.gz MCBXRJXNIRQVTR-JSGCOSHPSA-N 0 3 322.428 2.369 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001268097560 1080070590 /nfs/dbraw/zinc/07/05/90/1080070590.db2.gz GJPXTYUVFPEVGH-FHERZECASA-N 0 3 308.466 2.145 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001656685721 1080115103 /nfs/dbraw/zinc/11/51/03/1080115103.db2.gz QQBXSSMVIPWZSE-LSDHHAIUSA-N 0 3 306.406 2.373 20 30 DEEDHN C=C(C)CCN1CC(NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001481596228 1080120019 /nfs/dbraw/zinc/12/00/19/1080120019.db2.gz MBELQOUWBWAJBK-SFHVURJKSA-N 0 3 315.461 2.446 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cccc2ccccc21 ZINC001656874549 1080131868 /nfs/dbraw/zinc/13/18/68/1080131868.db2.gz ZLRCWPQEHRIWSR-UHFFFAOYSA-N 0 3 324.424 2.493 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001657067050 1080152476 /nfs/dbraw/zinc/15/24/76/1080152476.db2.gz FBNJMNXQECXCEY-RRFJBIMHSA-N 0 3 302.422 2.012 20 30 DEEDHN C[C@H](CNC(=O)CCn1cccc1)N(C)Cc1cccc(C#N)c1 ZINC001485365456 1080170742 /nfs/dbraw/zinc/17/07/42/1080170742.db2.gz LMLJZURPGHMNSX-MRXNPFEDSA-N 0 3 324.428 2.387 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(CCN(C)[C@@H](C)C(N)=O)CC1 ZINC001268199011 1080187359 /nfs/dbraw/zinc/18/73/59/1080187359.db2.gz BCWQRVYTACMUCO-AWEZNQCLSA-N 0 3 323.481 2.023 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@]1(C)OCCc2ccccc21 ZINC001485393884 1080190349 /nfs/dbraw/zinc/19/03/49/1080190349.db2.gz DYTBBUYANLDXLZ-KBXCAEBGSA-N 0 3 302.418 2.097 20 30 DEEDHN Cc1cc(C)cc(CN(C)CCN(C)C(=O)CSCC#N)c1 ZINC001268230996 1080212780 /nfs/dbraw/zinc/21/27/80/1080212780.db2.gz RAUWAWMFYDBHFQ-UHFFFAOYSA-N 0 3 319.474 2.450 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1csc([C@H]2CCCO2)n1 ZINC001268236501 1080218718 /nfs/dbraw/zinc/21/87/18/1080218718.db2.gz CDMFTXLUEBTUGB-CYBMUJFWSA-N 0 3 309.435 2.184 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001268238444 1080220018 /nfs/dbraw/zinc/22/00/18/1080220018.db2.gz BYVAXQFKTGENKB-JTQLQIEISA-N 0 3 312.282 2.178 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CCC[C@H]2NC(=O)C#CC(C)C)o1 ZINC001268277239 1080255380 /nfs/dbraw/zinc/25/53/80/1080255380.db2.gz NTBYJBKVCFRBGT-GOEBONIOSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cnc[nH]1 ZINC001481681864 1080292190 /nfs/dbraw/zinc/29/21/90/1080292190.db2.gz SFVODXQOYZECTP-ILXRZTDVSA-N 0 3 316.449 2.327 20 30 DEEDHN C=CCOCCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC001660288962 1080302278 /nfs/dbraw/zinc/30/22/78/1080302278.db2.gz GHKWGIRFIDHLHK-UHFFFAOYSA-N 0 3 324.425 2.449 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001485564727 1080308436 /nfs/dbraw/zinc/30/84/36/1080308436.db2.gz QBYYJXOBJRXYPZ-APWZRJJASA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)OC3CCCCC3)[C@@H]2C1 ZINC001485601760 1080324330 /nfs/dbraw/zinc/32/43/30/1080324330.db2.gz RTONWWATSHBEON-ZJPYXAASSA-N 0 3 318.461 2.042 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC2CCOCC2)C1 ZINC001485679016 1080363616 /nfs/dbraw/zinc/36/36/16/1080363616.db2.gz CYRGOVRKUSNEPI-HDJSIYSDSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2cc(C)ncn2)C1 ZINC001485683949 1080366723 /nfs/dbraw/zinc/36/67/23/1080366723.db2.gz GCJNPRBTRMSBLX-SHTZXODSSA-N 0 3 302.422 2.126 20 30 DEEDHN C#CCN(CCCNC(=O)CC(F)(F)C(F)(F)F)C1CC1 ZINC001660757429 1080392922 /nfs/dbraw/zinc/39/29/22/1080392922.db2.gz RQZHXNMMVJMWFU-UHFFFAOYSA-N 0 3 312.282 2.178 20 30 DEEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)CC(C)(C)O ZINC001485720182 1080389266 /nfs/dbraw/zinc/38/92/66/1080389266.db2.gz OVYQMWZTRFZAHZ-CQSZACIVSA-N 0 3 317.433 2.094 20 30 DEEDHN COc1cccc(CNCCC[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001485721646 1080391115 /nfs/dbraw/zinc/39/11/15/1080391115.db2.gz SQCQIBGEOZXSJY-HNNXBMFYSA-N 0 3 317.433 2.124 20 30 DEEDHN C#CCN(CCCNC(=O)c1cnc(C(C)C)s1)C1CC1 ZINC001660757578 1080393664 /nfs/dbraw/zinc/39/36/64/1080393664.db2.gz XZIAJYQQYSDJRI-UHFFFAOYSA-N 0 3 305.447 2.484 20 30 DEEDHN CC(C)C#CC(=O)N(C)C1CCN(CCOCC2CCC2)CC1 ZINC001660772238 1080394479 /nfs/dbraw/zinc/39/44/79/1080394479.db2.gz LFXLDVWEJDCECE-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ccc(OC)nn1 ZINC001268389873 1080410764 /nfs/dbraw/zinc/41/07/64/1080410764.db2.gz SVNWMLYCAQGWFY-ZDUSSCGKSA-N 0 3 320.437 2.072 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001481740910 1080420186 /nfs/dbraw/zinc/42/01/86/1080420186.db2.gz VCQCMDPWXWLACR-GFCCVEGCSA-N 0 3 311.813 2.017 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2cnc(C)cn2)C1 ZINC001268398529 1080423133 /nfs/dbraw/zinc/42/31/33/1080423133.db2.gz LIUNZUPEWYJVAQ-ZDUSSCGKSA-N 0 3 302.422 2.126 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001661374998 1080475762 /nfs/dbraw/zinc/47/57/62/1080475762.db2.gz OSLOCNMUCZLMQT-INIZCTEOSA-N 0 3 312.413 2.445 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](OCC)C(=C)C)C1 ZINC001661431538 1080481079 /nfs/dbraw/zinc/48/10/79/1080481079.db2.gz OURUXSOVLYZHJZ-IHRRRGAJSA-N 0 3 300.830 2.347 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(C)nn3C)CC2)C1=O ZINC001272718642 1080499897 /nfs/dbraw/zinc/49/98/97/1080499897.db2.gz KQBOYVQKHMZLAV-SFHVURJKSA-N 0 3 316.449 2.119 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001661708402 1080510417 /nfs/dbraw/zinc/51/04/17/1080510417.db2.gz VPHUMEJDGDQUMD-MRXNPFEDSA-N 0 3 320.408 2.357 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001481815186 1080522231 /nfs/dbraw/zinc/52/22/31/1080522231.db2.gz 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/nfs/dbraw/zinc/58/36/57/1080583657.db2.gz TZMUHNVHHUYJIH-HZMBPMFUSA-N 0 3 316.854 2.323 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001662357250 1080601010 /nfs/dbraw/zinc/60/10/10/1080601010.db2.gz ZLSCLZOFWQVZTQ-MPGHIAIKSA-N 0 3 308.466 2.193 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C[C@H](C)c1ccccc1F ZINC001662368522 1080602596 /nfs/dbraw/zinc/60/25/96/1080602596.db2.gz ZVIGILXYALWZGY-GJZGRUSLSA-N 0 3 320.408 2.063 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1cc(C)on1)C1CC1 ZINC001481924579 1080613467 /nfs/dbraw/zinc/61/34/67/1080613467.db2.gz SHBUKYZACBHAME-OAHLLOKOSA-N 0 3 311.813 2.153 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001662634821 1080623821 /nfs/dbraw/zinc/62/38/21/1080623821.db2.gz CLAZWLCGGPCXDL-OAHLLOKOSA-N 0 3 316.449 2.127 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1sc(CCC)nc1C ZINC001268497007 1080639779 /nfs/dbraw/zinc/63/97/79/1080639779.db2.gz CNBQMDTXHNBTGL-UHFFFAOYSA-N 0 3 307.463 2.479 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H](NCc2ccn(C)n2)C1 ZINC001662759718 1080649468 /nfs/dbraw/zinc/64/94/68/1080649468.db2.gz PUCSYWLKAYRWRO-GJZGRUSLSA-N 0 3 304.438 2.293 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OCC)nc2)C1 ZINC001662846164 1080666636 /nfs/dbraw/zinc/66/66/36/1080666636.db2.gz SYGJORRJCFXPNA-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C[C@H](CCNC(=O)C#CC1CC1)NCc1cc(C#N)ccc1F ZINC001662918474 1080676579 /nfs/dbraw/zinc/67/65/79/1080676579.db2.gz DCBIVPUTVXWUQJ-CYBMUJFWSA-N 0 3 313.376 2.095 20 30 DEEDHN Cc1ccncc1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001268523771 1080714926 /nfs/dbraw/zinc/71/49/26/1080714926.db2.gz OXOYGUMKKWOFDG-IHWYPQMZSA-N 0 3 320.396 2.338 20 30 DEEDHN COCc1ccc(CNC/C=C/CNC(=O)C#CC(C)C)cc1 ZINC001268535965 1080729135 /nfs/dbraw/zinc/72/91/35/1080729135.db2.gz GTXOMBLUIPGWIC-SNAWJCMRSA-N 0 3 314.429 2.254 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@H]1CCCN1C(=O)[C@H](C)CC ZINC001482053302 1080754056 /nfs/dbraw/zinc/75/40/56/1080754056.db2.gz UHRXOYRSIFSVBN-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)CC1CC(F)(F)C1 ZINC001663508750 1080762426 /nfs/dbraw/zinc/76/24/26/1080762426.db2.gz SPUQBJIGSWSWSS-CQSZACIVSA-N 0 3 316.392 2.205 20 30 DEEDHN CC[C@@H](CC(C)C)C(=O)NC[C@H]1CCN(CC#CCOC)C1 ZINC001663628767 1080792984 /nfs/dbraw/zinc/79/29/84/1080792984.db2.gz HRPOCPLTIVKVKF-SJORKVTESA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001663695987 1080804111 /nfs/dbraw/zinc/80/41/11/1080804111.db2.gz DOQRNFMAAWTELM-HNNXBMFYSA-N 0 3 304.821 2.441 20 30 DEEDHN Cc1ccc(CN(CCNC(=O)CSCC#N)C2CC2)cc1 ZINC001663705348 1080805581 /nfs/dbraw/zinc/80/55/81/1080805581.db2.gz OXDDYIMVVVOXSJ-UHFFFAOYSA-N 0 3 317.458 2.332 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccccc1-n1cccc1 ZINC001268585209 1080825630 /nfs/dbraw/zinc/82/56/30/1080825630.db2.gz MTEHTPPWXJDLPP-SREVYHEPSA-N 0 3 307.397 2.376 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)CNCc2nccs2)cc1 ZINC001482130362 1080829043 /nfs/dbraw/zinc/82/90/43/1080829043.db2.gz PBHBMMZXJGPVAF-ZDUSSCGKSA-N 0 3 313.426 2.280 20 30 DEEDHN CN(CCNCc1ccc(Cl)s1)C(=O)c1cc(C#N)c[nH]1 ZINC001663874712 1080830586 /nfs/dbraw/zinc/83/05/86/1080830586.db2.gz PKVCCASJSQJRAM-UHFFFAOYSA-N 0 3 322.821 2.463 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCC(=O)N1CCCC[C@H]1C ZINC001664164900 1080868688 /nfs/dbraw/zinc/86/86/88/1080868688.db2.gz IDNIOZMBRIPCCD-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccccc1OCC(C)C ZINC001664257831 1080882999 /nfs/dbraw/zinc/88/29/99/1080882999.db2.gz NRZLSEVCEPDUJC-UHFFFAOYSA-N 0 3 302.418 2.406 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cccc(N2CCCC2)c1 ZINC001268610925 1080888926 /nfs/dbraw/zinc/88/89/26/1080888926.db2.gz XYGBGTRLXNXOTE-SNAWJCMRSA-N 0 3 311.429 2.186 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001664342418 1080899907 /nfs/dbraw/zinc/89/99/07/1080899907.db2.gz XKIVVSXLCSNIRQ-SAABIXHNSA-N 0 3 302.393 2.128 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CCCC1 ZINC001268637041 1080908546 /nfs/dbraw/zinc/90/85/46/1080908546.db2.gz YPENSCQKKRTRJQ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1ccnc2[nH]cnc21)c1ccccc1 ZINC001664578439 1080928092 /nfs/dbraw/zinc/92/80/92/1080928092.db2.gz NUWJXLSPHUIXQA-OAHLLOKOSA-N 0 3 321.384 2.205 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](NC[C@H](C)O)c1ccccc1 ZINC001664587729 1080928875 /nfs/dbraw/zinc/92/88/75/1080928875.db2.gz GISHRBBNIRWEDJ-RDJZCZTQSA-N 0 3 302.418 2.008 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)c1ccccc1 ZINC001664583253 1080928908 /nfs/dbraw/zinc/92/89/08/1080928908.db2.gz JUQMIRCLUWBIAJ-SFHVURJKSA-N 0 3 324.428 2.394 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CCC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001664667281 1080938867 /nfs/dbraw/zinc/93/88/67/1080938867.db2.gz HFOAOOCRUXWJMT-DLBZAZTESA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C23CCC(CC2)C3)CC1 ZINC001664772318 1080958055 /nfs/dbraw/zinc/95/80/55/1080958055.db2.gz RIKHIBKISZTLIP-UHFFFAOYSA-N 0 3 319.493 2.219 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN(C)CCc2cnn(C)c2)CCC1 ZINC001268744611 1080964699 /nfs/dbraw/zinc/96/46/99/1080964699.db2.gz AJIBSYGGGNRZHI-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cc(C)ccc1F ZINC001268747214 1080966340 /nfs/dbraw/zinc/96/63/40/1080966340.db2.gz VIQHYTFRRNOLRC-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(C)Cc2cnn(C)c2)CC1 ZINC001664868391 1080973767 /nfs/dbraw/zinc/97/37/67/1080973767.db2.gz BGFBMNWNTXMGEM-UHFFFAOYSA-N 0 3 304.438 2.057 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001268790197 1080992852 /nfs/dbraw/zinc/99/28/52/1080992852.db2.gz CMCUDCPDAHBYQJ-UHFFFAOYSA-N 0 3 310.829 2.412 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001665274668 1081008508 /nfs/dbraw/zinc/00/85/08/1081008508.db2.gz FYDJRIMHBNZBKT-HNAYVOBHSA-N 0 3 316.445 2.431 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncs1 ZINC001665412816 1081025527 /nfs/dbraw/zinc/02/55/27/1081025527.db2.gz DXZHLJRMQCLJBE-KBPBESRZSA-N 0 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/nfs/dbraw/zinc/08/91/63/1081089163.db2.gz SSUPVTLTFREKDV-DOMZBBRYSA-N 0 3 319.453 2.405 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1 ZINC001666333192 1081144646 /nfs/dbraw/zinc/14/46/46/1081144646.db2.gz IUUQEYNYNQYYHD-RBUKOAKNSA-N 0 3 319.408 2.224 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccn(C)n2)[C@@H](CC)C1 ZINC001269169108 1081148907 /nfs/dbraw/zinc/14/89/07/1081148907.db2.gz LQDWGNKKFHQETK-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1ncc(Cl)n1C ZINC001666599280 1081165993 /nfs/dbraw/zinc/16/59/93/1081165993.db2.gz DEFRNYXQKPAJKL-NSHDSACASA-N 0 3 312.845 2.128 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1ccnc(OC)c1 ZINC001666971733 1081199250 /nfs/dbraw/zinc/19/92/50/1081199250.db2.gz FOCQDAQPIZNCKM-HNNXBMFYSA-N 0 3 317.433 2.220 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CCc2ccccc2)C1 ZINC001269293204 1081200000 /nfs/dbraw/zinc/20/00/00/1081200000.db2.gz TXVOJRVKYJVMRP-SFHVURJKSA-N 0 3 316.445 2.355 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)Cc1ccc[nH]1 ZINC001667053812 1081206355 /nfs/dbraw/zinc/20/63/55/1081206355.db2.gz IPUJOTFLUBEMSR-MRXNPFEDSA-N 0 3 309.413 2.045 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1ccnn1C)CC(C)C ZINC001667100615 1081211915 /nfs/dbraw/zinc/21/19/15/1081211915.db2.gz GDPKOTKQWKVOQL-CQSZACIVSA-N 0 3 306.454 2.253 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cnns2)[C@H](C)C1 ZINC001667169642 1081219567 /nfs/dbraw/zinc/21/95/67/1081219567.db2.gz NQCICKHHDQFKEC-HIFRSBDPSA-N 0 3 320.462 2.058 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2c(C)noc2Cl)C1 ZINC001269347770 1081222331 /nfs/dbraw/zinc/22/23/31/1081222331.db2.gz BRMFCDOVIJNNOQ-CYBMUJFWSA-N 0 3 323.824 2.125 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2cccc(F)c2F)C1 ZINC001269345225 1081222971 /nfs/dbraw/zinc/22/29/71/1081222971.db2.gz LXJVDQGKFQONJH-OAHLLOKOSA-N 0 3 320.383 2.453 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@H](C)OC)NCC#Cc1ccc(F)cc1 ZINC001269377224 1081232365 /nfs/dbraw/zinc/23/23/65/1081232365.db2.gz BTFGGJDCTVVNJL-YOEHRIQHSA-N 0 3 320.408 2.087 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001269384268 1081234474 /nfs/dbraw/zinc/23/44/74/1081234474.db2.gz YEAURUIIAJQCTI-INIZCTEOSA-N 0 3 318.392 2.254 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCC3(CN(C)C3)CC2)cc1 ZINC001269466887 1081256404 /nfs/dbraw/zinc/25/64/04/1081256404.db2.gz GROBSIJOYCPZFK-UHFFFAOYSA-N 0 3 300.402 2.419 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCCN1c1ccccc1 ZINC001667574640 1081265104 /nfs/dbraw/zinc/26/51/04/1081265104.db2.gz KVSAUBMDNIGDSD-GOSISDBHSA-N 0 3 313.445 2.069 20 30 DEEDHN Cc1ncoc1CNCC[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001269729151 1081348334 /nfs/dbraw/zinc/34/83/34/1081348334.db2.gz AVYGFGUFZLNQPW-MRXNPFEDSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001269737332 1081350094 /nfs/dbraw/zinc/35/00/94/1081350094.db2.gz QHQIGECPNABGER-RBUKOAKNSA-N 0 3 318.461 2.163 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001269737991 1081350554 /nfs/dbraw/zinc/35/05/54/1081350554.db2.gz XMLIGLPWYIPTLV-LJQANCHMSA-N 0 3 318.461 2.163 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CC)CCN[C@H](C)c1ccccc1F ZINC001668426334 1081354447 /nfs/dbraw/zinc/35/44/47/1081354447.db2.gz GQTMKROQZMSNSN-HUUCEWRRSA-N 0 3 320.408 2.363 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@@H](C)C(=O)N[C@H](C)CC)C1 ZINC001668549936 1081367398 /nfs/dbraw/zinc/36/73/98/1081367398.db2.gz MSWYZSVJOGDPJQ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCCCN1C ZINC001668990261 1081416749 /nfs/dbraw/zinc/41/67/49/1081416749.db2.gz BNKYSSVZCSFMAU-AWEZNQCLSA-N 0 3 319.380 2.444 20 30 DEEDHN Cc1c(C(=O)NC/C=C\CNCc2ccc(C#N)cc2)ccn1C ZINC001669027456 1081420958 /nfs/dbraw/zinc/42/09/58/1081420958.db2.gz RHOKPVSXAVFXSV-ARJAWSKDSA-N 0 3 322.412 2.281 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001669157127 1081433694 /nfs/dbraw/zinc/43/36/94/1081433694.db2.gz OBXRXVBNRJRJGZ-JTGQJZMRSA-N 0 3 310.441 2.467 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1ccc(OCC(C)C)cc1 ZINC001669170127 1081435185 /nfs/dbraw/zinc/43/51/85/1081435185.db2.gz BEEZBQFCSTYXBF-WAYWQWQTSA-N 0 3 300.402 2.230 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001669288773 1081443337 /nfs/dbraw/zinc/44/33/37/1081443337.db2.gz JNCXYRVGFGKTFA-KGLIPLIRSA-N 0 3 314.385 2.065 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCC1CCN([C@H](CC)C(N)=O)CC1 ZINC001270130692 1081457277 /nfs/dbraw/zinc/45/72/77/1081457277.db2.gz DUAHZYGMHXTDPK-OAHLLOKOSA-N 0 3 323.481 2.071 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001669568787 1081457838 /nfs/dbraw/zinc/45/78/38/1081457838.db2.gz NMFXMMAEMJGNOW-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C(C)=C3CCC3)C2)CC1 ZINC001270273922 1081490962 /nfs/dbraw/zinc/49/09/62/1081490962.db2.gz NAGCTYUPDAMBNR-QGZVFWFLSA-N 0 3 316.445 2.107 20 30 DEEDHN C#CCN(C(=O)[C@H](C)CC)C1CCN(CCOC(C)C)CC1 ZINC001270289961 1081494617 /nfs/dbraw/zinc/49/46/17/1081494617.db2.gz CJPQBHPJKIQXJN-MRXNPFEDSA-N 0 3 308.466 2.384 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001670124640 1081498001 /nfs/dbraw/zinc/49/80/01/1081498001.db2.gz XCPXIBJJOBTJIC-UHFFFAOYSA-N 0 3 319.236 2.430 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)N[C@H](C)CC ZINC001671350783 1081513759 /nfs/dbraw/zinc/51/37/59/1081513759.db2.gz CFISUNWNUIEFTO-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCCC1 ZINC001482287991 1081521907 /nfs/dbraw/zinc/52/19/07/1081521907.db2.gz WRMKALYENUNIRF-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001270500600 1081538519 /nfs/dbraw/zinc/53/85/19/1081538519.db2.gz ARAKXQMENSGCDJ-SDDRHHMPSA-N 0 3 303.328 2.021 20 30 DEEDHN CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](C)C#N ZINC001270501045 1081538542 /nfs/dbraw/zinc/53/85/42/1081538542.db2.gz HOSOJIKBHRMSMD-LUKYLMHMSA-N 0 3 321.465 2.274 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC2(CN(CCc3c[nH]c4ccccc34)C2)C1 ZINC001270506613 1081539440 /nfs/dbraw/zinc/53/94/40/1081539440.db2.gz BIZRAMBFIFSACS-AWEZNQCLSA-N 0 3 322.412 2.014 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001270506829 1081539961 /nfs/dbraw/zinc/53/99/61/1081539961.db2.gz DHIRWCXPWCSAQS-QAPCUYQASA-N 0 3 314.433 2.379 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001671839569 1081542795 /nfs/dbraw/zinc/54/27/95/1081542795.db2.gz MQRZHLFZNKXWPH-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)CCCCCC)CC2)C1 ZINC001270528035 1081543433 /nfs/dbraw/zinc/54/34/33/1081543433.db2.gz BOEGNMYRGDTNFL-GOSISDBHSA-N 0 3 319.493 2.199 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1c[nH]nc1C)c1ccccc1CC ZINC001672176857 1081563754 /nfs/dbraw/zinc/56/37/54/1081563754.db2.gz PASAEZCVGBVQBX-GOSISDBHSA-N 0 3 324.428 2.365 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1c[nH]nc1C)c1ccccc1CC ZINC001672176858 1081564094 /nfs/dbraw/zinc/56/40/94/1081564094.db2.gz PASAEZCVGBVQBX-SFHVURJKSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CN2CCc3ccccc32)C1 ZINC001270658827 1081587620 /nfs/dbraw/zinc/58/76/20/1081587620.db2.gz QJHPBGDPDBPZQP-IBGZPJMESA-N 0 3 313.445 2.206 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2cccc3nsnc32)C1 ZINC001270665815 1081591368 /nfs/dbraw/zinc/59/13/68/1081591368.db2.gz RZGFZNFRYGPGDX-MRXNPFEDSA-N 0 3 316.430 2.000 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)CSCCC)C1 ZINC001672477970 1081603360 /nfs/dbraw/zinc/60/33/60/1081603360.db2.gz VBBJTEAVHOAPPD-INIZCTEOSA-N 0 3 314.495 2.039 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCC(=O)NC1CCCCC1 ZINC001482316938 1081603887 /nfs/dbraw/zinc/60/38/87/1081603887.db2.gz MTNURJVEUNPGFR-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCc1cccnc1 ZINC001672537799 1081610728 /nfs/dbraw/zinc/61/07/28/1081610728.db2.gz LCYUMSUVPZLONS-MSOLQXFVSA-N 0 3 311.429 2.103 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1CCOC1 ZINC001672925085 1081723045 /nfs/dbraw/zinc/72/30/45/1081723045.db2.gz POAKHOHLYRIOHI-KRWDZBQOSA-N 0 3 302.418 2.347 20 30 DEEDHN COCC#CCN[C@@H](C)c1ccc(CNC(=O)CCCF)cc1 ZINC001672943674 1081725502 /nfs/dbraw/zinc/72/55/02/1081725502.db2.gz PUBSZSWLCKDAEB-HNNXBMFYSA-N 0 3 320.408 2.353 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@@H](CNC[C@@H](F)CC)C2)CCC1 ZINC001673310658 1081753683 /nfs/dbraw/zinc/75/36/83/1081753683.db2.gz MZFAPRCCLZSNEA-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(C)CCC(C)CC2)CCO1 ZINC001673343402 1081756978 /nfs/dbraw/zinc/75/69/78/1081756978.db2.gz XSPANVNGAAHOFG-PQUAAJSLSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC001482360850 1081760198 /nfs/dbraw/zinc/76/01/98/1081760198.db2.gz SEHPTANSOSSFEM-CQSZACIVSA-N 0 3 314.385 2.133 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)cc1 ZINC001095854572 1081761544 /nfs/dbraw/zinc/76/15/44/1081761544.db2.gz HZVQEOUZXDSRAL-ZSGPHXLJSA-N 0 3 312.413 2.038 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](C)n2cccc2)CC1 ZINC001673402530 1081767190 /nfs/dbraw/zinc/76/71/90/1081767190.db2.gz UNHAQXWYSNHQQE-SJORKVTESA-N 0 3 301.434 2.433 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)COc2cccc(CC)c2)CC1 ZINC001673406821 1081769056 /nfs/dbraw/zinc/76/90/56/1081769056.db2.gz JRRXDDBDNZWHKB-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1coc2ccccc12 ZINC001482374874 1081773028 /nfs/dbraw/zinc/77/30/28/1081773028.db2.gz OMSDTCPJGFIVDO-AWEZNQCLSA-N 0 3 314.385 2.133 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccc2ncsc2c1 ZINC001673486672 1081774711 /nfs/dbraw/zinc/77/47/11/1081774711.db2.gz MQXXBGKWUQKOFT-UHFFFAOYSA-N 0 3 301.415 2.323 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)CCC2CCCCCC2)C1 ZINC001673682066 1081791443 /nfs/dbraw/zinc/79/14/43/1081791443.db2.gz BGCKNPLVBJHSCA-IBGZPJMESA-N 0 3 320.477 2.313 20 30 DEEDHN CC#CCCCC(=O)NC1(CO)CCN(CC=C(C)C)CC1 ZINC001674319837 1081859738 /nfs/dbraw/zinc/85/97/38/1081859738.db2.gz WBRSOYOKUFVZSE-UHFFFAOYSA-N 0 3 306.450 2.089 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCCC[C@H]1CNCCF)OCC ZINC001674379446 1081865214 /nfs/dbraw/zinc/86/52/14/1081865214.db2.gz KHXOMQWHKNFSII-GJZGRUSLSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCCC(=O)NC(C)C)C1 ZINC001271007139 1081873104 /nfs/dbraw/zinc/87/31/04/1081873104.db2.gz JKFNYWPMSDUJAF-SFHVURJKSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001271099373 1081909470 /nfs/dbraw/zinc/90/94/70/1081909470.db2.gz BOPXGAVSJRNXHF-HIFRSBDPSA-N 0 3 318.408 2.309 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NCc2ccccn2)cc1 ZINC001674710997 1081910059 /nfs/dbraw/zinc/91/00/59/1081910059.db2.gz VCDYOZXWOVQVRP-LSDHHAIUSA-N 0 3 307.397 2.360 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(N(C)C)cc2)C1 ZINC001266327504 1081974088 /nfs/dbraw/zinc/97/40/88/1081974088.db2.gz GKOBDNDXSBAFCH-KRWDZBQOSA-N 0 3 315.461 2.452 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](C)c2cccc(OC)c2)C1 ZINC001266360958 1081997450 /nfs/dbraw/zinc/99/74/50/1081997450.db2.gz GLPJTQHWBFCHDC-RDJZCZTQSA-N 0 3 314.429 2.403 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001266359587 1081997483 /nfs/dbraw/zinc/99/74/83/1081997483.db2.gz YXHMFXUYVUDMCK-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001266371354 1082004709 /nfs/dbraw/zinc/00/47/09/1082004709.db2.gz WQYXKCQLDOWXKN-INIZCTEOSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCOCC(=O)NCCN(CC)[C@@H]1CCc2ccc(F)cc21 ZINC001266380197 1082009833 /nfs/dbraw/zinc/00/98/33/1082009833.db2.gz IUSAEUSQAXAKJF-QGZVFWFLSA-N 0 3 320.408 2.454 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001266409971 1082026028 /nfs/dbraw/zinc/02/60/28/1082026028.db2.gz VFVUDGAUZARNNG-MRXNPFEDSA-N 0 3 317.408 2.255 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCOC1 ZINC001266481304 1082065534 /nfs/dbraw/zinc/06/55/34/1082065534.db2.gz OBLRLCAECORCRH-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001266495725 1082075142 /nfs/dbraw/zinc/07/51/42/1082075142.db2.gz 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/nfs/dbraw/zinc/21/30/64/1082213064.db2.gz KJEJJZWCWZOGKI-IRXDYDNUSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)C(C)(C)CCC)CC2)C1 ZINC001671602387 1082250218 /nfs/dbraw/zinc/25/02/18/1082250218.db2.gz BELLMESTEKBTLQ-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1csc(Cl)c1 ZINC001663289075 1082261659 /nfs/dbraw/zinc/26/16/59/1082261659.db2.gz ZTQGTXGTHKVVOK-UHFFFAOYSA-N 0 3 302.827 2.266 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)C[C@H]1CCCCO1 ZINC001266673647 1082269585 /nfs/dbraw/zinc/26/95/85/1082269585.db2.gz WDAYBQKVIJOPRE-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccncc2Cl)C1 ZINC001266679811 1082278467 /nfs/dbraw/zinc/27/84/67/1082278467.db2.gz DPHGFHGWBYJXLC-OKILXGFUSA-N 0 3 305.809 2.275 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCNCc1c(C)cccc1Cl ZINC001266696268 1082290585 /nfs/dbraw/zinc/29/05/85/1082290585.db2.gz BQZHKDKDCFPOAV-AWEZNQCLSA-N 0 3 322.836 2.235 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@H]1CC[C@H](F)C1 ZINC001266708766 1082297534 /nfs/dbraw/zinc/29/75/34/1082297534.db2.gz XLHYCKSIJYTYDU-XLAORIBOSA-N 0 3 314.404 2.413 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2cccc3ncccc23)C1 ZINC001266755209 1082324368 /nfs/dbraw/zinc/32/43/68/1082324368.db2.gz NAXPCPWDDHWCOY-MRXNPFEDSA-N 0 3 321.424 2.239 20 30 DEEDHN CN1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001648976392 1082325002 /nfs/dbraw/zinc/32/50/02/1082325002.db2.gz MQGIGHLHBSOAGH-CQSZACIVSA-N 0 3 320.824 2.495 20 30 DEEDHN CC#CCNCCN(C)C(=O)C1(c2cccc(F)c2)CCC1 ZINC001266796380 1082350952 /nfs/dbraw/zinc/35/09/52/1082350952.db2.gz MFPVKWCTPZRQSC-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1nc(C)n2ccccc12 ZINC001272067798 1082391355 /nfs/dbraw/zinc/39/13/55/1082391355.db2.gz NRAMFSBNQPCIDI-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCC(=O)NC(C)C ZINC001266877693 1082424389 /nfs/dbraw/zinc/42/43/89/1082424389.db2.gz 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/nfs/dbraw/zinc/54/50/24/1082545024.db2.gz MMRUUZVQCAQZCU-LLVKDONJSA-N 0 3 314.227 2.330 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1CC12CCOCC2 ZINC001482904262 1082554445 /nfs/dbraw/zinc/55/44/45/1082554445.db2.gz CYKKNPLIDOVWIO-QWHCGFSZSA-N 0 3 300.830 2.040 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)CC3CCCC3)CC[C@@H]21 ZINC001272196137 1082640467 /nfs/dbraw/zinc/64/04/67/1082640467.db2.gz OZNJKMFXNVKALI-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(F)c2ncccc2c1 ZINC001483070918 1082690071 /nfs/dbraw/zinc/69/00/71/1082690071.db2.gz IQGVOOAAMWXRSI-PLNGDYQASA-N 0 3 311.360 2.273 20 30 DEEDHN CC[C@H](CC(=O)NC/C=C/CNCC#CCOC)C(C)(C)C ZINC001483082491 1082696857 /nfs/dbraw/zinc/69/68/57/1082696857.db2.gz QYPCXDWMXCIAGF-KXPUMZMLSA-N 0 3 308.466 2.361 20 30 DEEDHN CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)CNCC#CCOC ZINC001483172963 1082790221 /nfs/dbraw/zinc/79/02/21/1082790221.db2.gz ZNKNBETVCOERGG-WBVHZDCISA-N 0 3 308.466 2.337 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cn2c(n1)CCC2 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314.404 2.076 20 30 DEEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001276762101 1083592670 /nfs/dbraw/zinc/59/26/70/1083592670.db2.gz QNZGJLOTGUYPPB-PBHICJAKSA-N 0 3 318.417 2.178 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc2c(c1)CCO2 ZINC001276892019 1083667570 /nfs/dbraw/zinc/66/75/70/1083667570.db2.gz OGSDJSPMOHGGAY-KRWDZBQOSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107804417 1083716966 /nfs/dbraw/zinc/71/69/66/1083716966.db2.gz NDTUNWCRGPAMDB-YJBOKZPZSA-N 0 3 322.449 2.243 20 30 DEEDHN Cc1cc(F)ccc1CNC1(CNC(=O)C#CC2CC2)CC1 ZINC001277054865 1083751327 /nfs/dbraw/zinc/75/13/27/1083751327.db2.gz KFMPHIOZWOJNMF-UHFFFAOYSA-N 0 3 300.377 2.286 20 30 DEEDHN C#CCNC1(CNC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC001277109146 1083779530 /nfs/dbraw/zinc/77/95/30/1083779530.db2.gz SCCFCYRXWIWAMA-UHFFFAOYSA-N 0 3 302.321 2.252 20 30 DEEDHN N#Cc1cc(F)cc(CN2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c1 ZINC001277127039 1083790781 /nfs/dbraw/zinc/79/07/81/1083790781.db2.gz WXLCLQSETYTAOS-NVXWUHKLSA-N 0 3 301.365 2.175 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2ccccc2OC(C)C)CC1 ZINC001277202848 1083845041 /nfs/dbraw/zinc/84/50/41/1083845041.db2.gz SGZPRJXFIDWBSM-UHFFFAOYSA-N 0 3 314.429 2.278 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@@H](C)c2ccccc2OC)CC1 ZINC001277225479 1083854709 /nfs/dbraw/zinc/85/47/09/1083854709.db2.gz SWWGRQDQZNFHAX-OAHLLOKOSA-N 0 3 314.429 2.451 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](CNCC#N)CC1 ZINC001272763153 1083962956 /nfs/dbraw/zinc/96/29/56/1083962956.db2.gz NRBHAWKCRPEEGD-ULQDDVLXSA-N 0 3 320.481 2.037 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CSC(C)C)C1 ZINC001490983151 1083987334 /nfs/dbraw/zinc/98/73/34/1083987334.db2.gz RLMADFJRFGMTOK-JKSUJKDBSA-N 0 3 308.491 2.464 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2oc(C)nc2C)C1 ZINC001491012616 1084006679 /nfs/dbraw/zinc/00/66/79/1084006679.db2.gz CDZXRKBWGYMMDQ-GASCZTMLSA-N 0 3 303.406 2.222 20 30 DEEDHN C#CCNC1(CNC(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC001670896119 1084023809 /nfs/dbraw/zinc/02/38/09/1084023809.db2.gz RYXCXLYMPYXUCP-GFCCVEGCSA-N 0 3 302.443 2.358 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2ccsc2)C1 ZINC001491069283 1084046997 /nfs/dbraw/zinc/04/69/97/1084046997.db2.gz HHYHQFZQYCEZDG-PHIMTYICSA-N 0 3 300.811 2.116 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001272785143 1084051178 /nfs/dbraw/zinc/05/11/78/1084051178.db2.gz ZBCCBEQMJPIQKF-NWDGAFQWSA-N 0 3 310.829 2.067 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cncc(F)c3)C2)C1=O ZINC001272796039 1084072718 /nfs/dbraw/zinc/07/27/18/1084072718.db2.gz UTZOPRMZSPRDBF-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc[nH]2)CC2(CCOCC2)C1 ZINC001089921659 1084073573 /nfs/dbraw/zinc/07/35/73/1084073573.db2.gz BXUUMFFGVVIELR-OAHLLOKOSA-N 0 3 317.433 2.192 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001491121300 1084085677 /nfs/dbraw/zinc/08/56/77/1084085677.db2.gz WMEAUYQRDSKFMU-CHWSQXEVSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H](OC)C1 ZINC001212377621 1084099655 /nfs/dbraw/zinc/09/96/55/1084099655.db2.gz VNGLZHKWRZOKNA-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN Cc1cc(F)c(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)c(F)c1 ZINC001649097517 1084112076 /nfs/dbraw/zinc/11/20/76/1084112076.db2.gz COZZBKXSBBUAQL-VMBJYNEYSA-N 0 3 319.355 2.029 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@@H]1C ZINC001277730606 1084116667 /nfs/dbraw/zinc/11/66/67/1084116667.db2.gz JQJDSWRXXYPMLZ-OVJSSFAUSA-N 0 3 321.248 2.477 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2cnns2)CCN1C(=O)C#CC(C)(C)C ZINC001277739329 1084122954 /nfs/dbraw/zinc/12/29/54/1084122954.db2.gz HJHYQNFULAHQCN-OLZOCXBDSA-N 0 3 320.462 2.057 20 30 DEEDHN C=CCCCN1CC2(C1)SCC[C@H]2C(=O)N1CCCCO1 ZINC001277760229 1084133531 /nfs/dbraw/zinc/13/35/31/1084133531.db2.gz QSZZXPHPCKJEMR-AWEZNQCLSA-N 0 3 310.463 2.314 20 30 DEEDHN C=CCCCCN1CC2(C[C@H]2C(=O)Nc2ccc(OC)nn2)C1 ZINC001277788296 1084149732 /nfs/dbraw/zinc/14/97/32/1084149732.db2.gz GSPMUAPEVFBNPC-ZDUSSCGKSA-N 0 3 316.405 2.102 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2OC)CCC1 ZINC001212393725 1084181954 /nfs/dbraw/zinc/18/19/54/1084181954.db2.gz WWRMTLFKAUJIMX-HZPDHXFCSA-N 0 3 324.440 2.135 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCC(=O)NCC(C)(C)C ZINC001277865852 1084184009 /nfs/dbraw/zinc/18/40/09/1084184009.db2.gz KFYXIFNOJGWQER-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN O=C(c1ccccn1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001671261863 1084198162 /nfs/dbraw/zinc/19/81/62/1084198162.db2.gz KVIVXNDNKPJPFL-GOSISDBHSA-N 0 3 319.408 2.328 20 30 DEEDHN C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCOC1 ZINC001671019364 1084208977 /nfs/dbraw/zinc/20/89/77/1084208977.db2.gz WEQUTSJURUMKTF-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H](C)NCC(=O)N1CCC[C@@H](C)C1 ZINC001277921839 1084300440 /nfs/dbraw/zinc/30/04/40/1084300440.db2.gz JZTMDOQYSBNZEV-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncc(OC)cc1F ZINC001235073545 1084301107 /nfs/dbraw/zinc/30/11/07/1084301107.db2.gz VNABKUKFSVBUJQ-ZDUSSCGKSA-N 0 3 321.396 2.342 20 30 DEEDHN C[C@@H](N[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1)c1ccccc1F ZINC001491431318 1084308239 /nfs/dbraw/zinc/30/82/39/1084308239.db2.gz KAHYEILAHZGBPU-NWDGAFQWSA-N 0 3 314.364 2.495 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)ns1 ZINC001491442956 1084315002 /nfs/dbraw/zinc/31/50/02/1084315002.db2.gz WFELRRODDYCBLV-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)CC ZINC001128088412 1084320489 /nfs/dbraw/zinc/32/04/89/1084320489.db2.gz WKRLORRVKJWJQG-AWEZNQCLSA-N 0 3 323.481 2.154 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCN[C@H](C)C(=O)NC(C)(C)CC ZINC001128088413 1084320846 /nfs/dbraw/zinc/32/08/46/1084320846.db2.gz WKRLORRVKJWJQG-CQSZACIVSA-N 0 3 323.481 2.154 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001277929524 1084338657 /nfs/dbraw/zinc/33/86/57/1084338657.db2.gz 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/nfs/dbraw/zinc/61/81/57/1084618157.db2.gz ADLOBPBTACDDIX-JFIYKMOQSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001078257956 1084621043 /nfs/dbraw/zinc/62/10/43/1084621043.db2.gz JWESUTKOULIMLH-QDIHITRGSA-N 0 3 308.466 2.186 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001272926241 1084645501 /nfs/dbraw/zinc/64/55/01/1084645501.db2.gz HSDPWGJVCWLGEG-WCQYABFASA-N 0 3 312.845 2.151 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2n[nH]cc2C)C12CCC2 ZINC001078616854 1084770350 /nfs/dbraw/zinc/77/03/50/1084770350.db2.gz CBEPOOIOBKRLOM-RYUDHWBXSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)nn2)C12CCC2 ZINC001078622567 1084782095 /nfs/dbraw/zinc/78/20/95/1084782095.db2.gz XMUQBPVIXKGXOH-UONOGXRCSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2c[nH]nc2C)C12CCC2 ZINC001078692432 1084826953 /nfs/dbraw/zinc/82/69/53/1084826953.db2.gz AAXPWBIVTQUICO-OLZOCXBDSA-N 0 3 308.813 2.101 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)N1CCCCCC1 ZINC001485853223 1084930122 /nfs/dbraw/zinc/93/01/22/1084930122.db2.gz ISCNTIDCYPERRG-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001485906096 1084972098 /nfs/dbraw/zinc/97/20/98/1084972098.db2.gz OGWGVARGPHFLCA-SJORKVTESA-N 0 3 316.445 2.360 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccc(C)c(C)c2)C1 ZINC001486032780 1085035942 /nfs/dbraw/zinc/03/59/42/1085035942.db2.gz DALOFXBOJGDHPR-QGZVFWFLSA-N 0 3 316.445 2.226 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCOCc2ccccc2)C1 ZINC001486122280 1085077522 /nfs/dbraw/zinc/07/75/22/1085077522.db2.gz QDJWMSNWELEVJJ-SJLPKXTDSA-N 0 3 314.429 2.196 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001486130305 1085079546 /nfs/dbraw/zinc/07/95/46/1085079546.db2.gz QPGGTFNFOBYEQM-VQHPVUNQSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@@H](NCc3nccn3C)[C@@H]2C1 ZINC001486156227 1085097386 /nfs/dbraw/zinc/09/73/86/1085097386.db2.gz LDJJXPVKSUUNNQ-ARFHVFGLSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccc(C)cc2)[C@H]1C ZINC001486185393 1085113470 /nfs/dbraw/zinc/11/34/70/1085113470.db2.gz HYCBNZUKABUWTB-AEFFLSMTSA-N 0 3 314.429 2.366 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)o1 ZINC001486199872 1085125920 /nfs/dbraw/zinc/12/59/20/1085125920.db2.gz DUGMLLBVDOFEMD-HUUCEWRRSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC000960318038 1085193825 /nfs/dbraw/zinc/19/38/25/1085193825.db2.gz FXZJQSIXECKUJR-SJLPKXTDSA-N 0 3 322.412 2.459 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001486359236 1085218130 /nfs/dbraw/zinc/21/81/30/1085218130.db2.gz SFIDZISFNKOGCP-WMLDXEAASA-N 0 3 322.424 2.256 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001486342910 1085223026 /nfs/dbraw/zinc/22/30/26/1085223026.db2.gz HKCFZEVJAJJNAH-INIZCTEOSA-N 0 3 324.852 2.210 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cnc2[nH]ccc2c1)C(C)C ZINC001486369897 1085240298 /nfs/dbraw/zinc/24/02/98/1085240298.db2.gz RDXLYGDMFGBEDJ-UHFFFAOYSA-N 0 3 300.406 2.483 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C3CC3)CC2)cc1 ZINC000960446240 1085288446 /nfs/dbraw/zinc/28/84/46/1085288446.db2.gz ARLOKFDQSNLQGG-PIIMJCKOSA-N 0 3 321.424 2.295 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)c1cocn1 ZINC000960480895 1085306822 /nfs/dbraw/zinc/30/68/22/1085306822.db2.gz ULOFXAFNDYLZNE-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960627408 1085391219 /nfs/dbraw/zinc/39/12/19/1085391219.db2.gz POXGEDQMGZEVHA-LJQANCHMSA-N 0 3 321.424 2.394 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000960632154 1085392468 /nfs/dbraw/zinc/39/24/68/1085392468.db2.gz QZEAJEJQQYQXAG-INIZCTEOSA-N 0 3 323.400 2.018 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(C)nc1CC(C)C ZINC000960831548 1085474389 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DEEDHN C=C(C)CCC(=O)NCCNCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC001128408960 1085769780 /nfs/dbraw/zinc/76/97/80/1085769780.db2.gz NLUKVQNYTTYLBU-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cn(C)nc1Br ZINC001460030746 1085802497 /nfs/dbraw/zinc/80/24/97/1085802497.db2.gz GNPBSBALBHUDAX-UHFFFAOYSA-N 0 3 315.259 2.122 20 30 DEEDHN C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC001078876266 1085889228 /nfs/dbraw/zinc/88/92/28/1085889228.db2.gz SCXSRPBIRWOKMX-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000962025886 1085946203 /nfs/dbraw/zinc/94/62/03/1085946203.db2.gz ITEZGWURXGOIRI-MNZLEMJZSA-N 0 3 309.413 2.251 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nn(C)c2ccccc12 ZINC001273131182 1086301658 /nfs/dbraw/zinc/30/16/58/1086301658.db2.gz NXJXBAUBXPMYBJ-LBPRGKRZSA-N 0 3 320.824 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000963280527 1086381540 /nfs/dbraw/zinc/38/15/40/1086381540.db2.gz XRWOCBZNMGKIDO-JKSUJKDBSA-N 0 3 318.461 2.328 20 30 DEEDHN COCC1(C(=O)NCCNCc2ccc(C#N)s2)CCCC1 ZINC001128837854 1086412577 /nfs/dbraw/zinc/41/25/77/1086412577.db2.gz RAZKUDRBRPOSHT-UHFFFAOYSA-N 0 3 321.446 2.032 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cnc(C)cn1)C2 ZINC000963515660 1086484331 /nfs/dbraw/zinc/48/43/31/1086484331.db2.gz SIVINCHGSVPEKR-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC000963819094 1086567493 /nfs/dbraw/zinc/56/74/93/1086567493.db2.gz UGYMQCMIJIGRSM-UHFFFAOYSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CN(CC)CC ZINC001062331137 1086857392 /nfs/dbraw/zinc/85/73/92/1086857392.db2.gz DNCVJZSXHLOFDQ-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)c1cccc(Br)c1 ZINC001118090425 1086931397 /nfs/dbraw/zinc/93/13/97/1086931397.db2.gz ICGFEDSDVLINQY-STQMWFEESA-N 0 3 300.196 2.273 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2csc(C)c2C)[C@H](O)C1 ZINC001090289756 1087427453 /nfs/dbraw/zinc/42/74/53/1087427453.db2.gz LRXBNVVKOMNJBQ-HUUCEWRRSA-N 0 3 308.447 2.106 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001063740556 1087475639 /nfs/dbraw/zinc/47/56/39/1087475639.db2.gz MQCHLDZIGMKOAW-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H](O)C1 ZINC001090299491 1087644813 /nfs/dbraw/zinc/64/48/13/1087644813.db2.gz YVJPWUQHEDWZQQ-UONOGXRCSA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001079687900 1088320520 /nfs/dbraw/zinc/32/05/20/1088320520.db2.gz YEXLJQMFMYCFAL-BPLDGKMQSA-N 0 3 313.873 2.048 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(F)(F)F)C1 ZINC001079770151 1088405575 /nfs/dbraw/zinc/40/55/75/1088405575.db2.gz RDQONGLLMRPDBR-ZYHUDNBSSA-N 0 3 314.307 2.372 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114781844 1088495206 /nfs/dbraw/zinc/49/52/06/1088495206.db2.gz XWXPLUDXHHRFRN-MUQADHOPSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001079931726 1088504270 /nfs/dbraw/zinc/50/42/70/1088504270.db2.gz GJOWJWICOWCTPF-MLGOLLRUSA-N 0 3 311.385 2.210 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(CCCC)cc2)[C@H](O)C1 ZINC000958236508 1088872699 /nfs/dbraw/zinc/87/26/99/1088872699.db2.gz WHGUGWMTOCKPLS-QZTJIDSGSA-N 0 3 316.445 2.238 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC000958281318 1088902380 /nfs/dbraw/zinc/90/23/80/1088902380.db2.gz JTYRTZFDLUPQHD-CVEARBPZSA-N 0 3 322.493 2.434 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC000958281388 1088903265 /nfs/dbraw/zinc/90/32/65/1088903265.db2.gz KNNGKPFZNHDWIT-QAPCUYQASA-N 0 3 314.429 2.081 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC001273202077 1089025229 /nfs/dbraw/zinc/02/52/29/1089025229.db2.gz PYPJOEOHZXONKY-HZPDHXFCSA-N 0 3 320.477 2.337 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2cccc(C(C)(C)C)c2)[C@H](O)C1 ZINC000958515289 1089038207 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DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)ccc3OC)[C@@H]2C1 ZINC001084496813 1090314332 /nfs/dbraw/zinc/31/43/32/1090314332.db2.gz WGMAKMNNYCZHTD-NVXWUHKLSA-N 0 3 312.413 2.173 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3nc(C)cs3)[C@@H]2C1 ZINC001084521831 1090317568 /nfs/dbraw/zinc/31/75/68/1090317568.db2.gz ZCXCHACDUFWTKR-HUUCEWRRSA-N 0 3 319.474 2.493 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(CC(C)C)c[nH]3)[C@@H]2C1 ZINC001084778989 1090443463 /nfs/dbraw/zinc/44/34/63/1090443463.db2.gz XOOMEZTXPAPJJF-SJLPKXTDSA-N 0 3 313.445 2.383 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001084786405 1090445334 /nfs/dbraw/zinc/44/53/34/1090445334.db2.gz NNXSLLFHOKWBRI-FCGDIQPGSA-N 0 3 308.425 2.346 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001084906774 1090508020 /nfs/dbraw/zinc/50/80/20/1090508020.db2.gz HGMCJBFBOHAKBL-CFVMTHIKSA-N 0 3 303.431 2.331 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](OC)c3ccccc3)C[C@@H]21 ZINC001085079299 1090632912 /nfs/dbraw/zinc/63/29/12/1090632912.db2.gz VYYMDXVVVZXYSP-BPQIPLTHSA-N 0 3 314.429 2.483 20 30 DEEDHN CCOC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000823271458 1090668003 /nfs/dbraw/zinc/66/80/03/1090668003.db2.gz GDAXBNFJKXIQSW-OAHLLOKOSA-N 0 3 324.384 2.448 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C)on1 ZINC001085152130 1090676398 /nfs/dbraw/zinc/67/63/98/1090676398.db2.gz QJBDCZGUZCKFQN-ZIAGYGMSSA-N 0 3 311.813 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC)c1 ZINC001085154519 1090677257 /nfs/dbraw/zinc/67/72/57/1090677257.db2.gz XTAWDSWAORVELC-ZIAGYGMSSA-N 0 3 310.829 2.286 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccccc2CCC)CCO1 ZINC001273286450 1090709364 /nfs/dbraw/zinc/70/93/64/1090709364.db2.gz UDOSVKAXNVMAFE-QGZVFWFLSA-N 0 3 314.429 2.093 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CSCCC)C1 ZINC001323636399 1091058471 /nfs/dbraw/zinc/05/84/71/1091058471.db2.gz DGUAUFHJQINLJS-HZPDHXFCSA-N 0 3 308.491 2.466 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)nn(CC)c1C ZINC001273362431 1091092333 /nfs/dbraw/zinc/09/23/33/1091092333.db2.gz AGRLDPKZEBSYLQ-IAGOWNOFSA-N 0 3 316.449 2.271 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cc3c[nH]ccc-3n2)C1=O ZINC001274270369 1091158504 /nfs/dbraw/zinc/15/85/04/1091158504.db2.gz QQJFMWPIDDFZAE-SFHVURJKSA-N 0 3 310.401 2.316 20 30 DEEDHN C#CCCCCC(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC001274326978 1091191403 /nfs/dbraw/zinc/19/14/03/1091191403.db2.gz OKDOHMJIVRFPSB-UHFFFAOYSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Oc2cccnc2)C(C)(C)C1 ZINC001274454368 1091253720 /nfs/dbraw/zinc/25/37/20/1091253720.db2.gz NYFLGTMXOCJHSH-ZBFHGGJFSA-N 0 3 317.433 2.252 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN2C[C@H](O)c2ccccc2)C1=O ZINC001274561440 1091300743 /nfs/dbraw/zinc/30/07/43/1091300743.db2.gz RGRJLELEEWDXGB-HKUYNNGSSA-N 0 3 314.429 2.363 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1cccc(OCC(C)C)c1 ZINC001274567593 1091302075 /nfs/dbraw/zinc/30/20/75/1091302075.db2.gz KZHFWHYGOOHMTM-AATRIKPKSA-N 0 3 300.402 2.230 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3cc(F)ccn3)CC2)C1=O ZINC001274585432 1091311503 /nfs/dbraw/zinc/31/15/03/1091311503.db2.gz OFQCBELEJAZGFQ-SFHVURJKSA-N 0 3 315.392 2.059 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCCc2csc(C)n2)C[C@H]1C ZINC001274626402 1091334885 /nfs/dbraw/zinc/33/48/85/1091334885.db2.gz YTAKKCPXFSLFEK-HIFRSBDPSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(c3cncn3C)C2)C1=O ZINC001274758223 1091399209 /nfs/dbraw/zinc/39/92/09/1091399209.db2.gz FCWBVGOMCHHQAO-SFHVURJKSA-N 0 3 308.385 2.101 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@H](C)[C@H](C)CC)CCO2 ZINC001274862553 1091452210 /nfs/dbraw/zinc/45/22/10/1091452210.db2.gz GREGZCUPROKSIW-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN COCC#CCN1CCC2(CC1)CCN(C(=O)C=C(C)C)CC2 ZINC001274878605 1091459700 /nfs/dbraw/zinc/45/97/00/1091459700.db2.gz DBGWARPZIWYDCE-UHFFFAOYSA-N 0 3 318.461 2.307 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCC(C)=O)CC[C@@H]1C(F)(F)F ZINC001279172570 1091485612 /nfs/dbraw/zinc/48/56/12/1091485612.db2.gz LWFDHFWANIRKSE-QWHCGFSZSA-N 0 3 320.355 2.301 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(CC)CC(=O)NC(C)C)CC1 ZINC001274945572 1091486134 /nfs/dbraw/zinc/48/61/34/1091486134.db2.gz QDDAMKAXOJFZLN-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)CCC(C)C ZINC001274970801 1091495782 /nfs/dbraw/zinc/49/57/82/1091495782.db2.gz CUZYFBUSGMUYTM-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(CC(C)C)s2)CCO1 ZINC001280595287 1091506331 /nfs/dbraw/zinc/50/63/31/1091506331.db2.gz JJWRLAVNXQUKLE-AWEZNQCLSA-N 0 3 320.458 2.010 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc2c1COCC2 ZINC001275114559 1091565566 /nfs/dbraw/zinc/56/55/66/1091565566.db2.gz JLJBZYJRKJIGJT-MRXNPFEDSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@H]2CN(C)CCn2cccn2)C1 ZINC001275144077 1091582532 /nfs/dbraw/zinc/58/25/32/1091582532.db2.gz UVFICRMQGDEYQJ-INIZCTEOSA-N 0 3 316.449 2.162 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1ccc(OC)o1 ZINC001275150647 1091587027 /nfs/dbraw/zinc/58/70/27/1091587027.db2.gz KWNJPKXPMYTAHB-CQSZACIVSA-N 0 3 322.405 2.027 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cn2c(cccc2C)n1 ZINC001275167105 1091598039 /nfs/dbraw/zinc/59/80/39/1091598039.db2.gz MDXUBUVZEFRMMO-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C[C@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)C(F)(F)F ZINC001275265816 1091643882 /nfs/dbraw/zinc/64/38/82/1091643882.db2.gz DWJCLVGGTOXZMW-QWHCGFSZSA-N 0 3 312.335 2.331 20 30 DEEDHN CCOCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001275347559 1091681688 /nfs/dbraw/zinc/68/16/88/1091681688.db2.gz IOWIHJNOOWQFMT-UONOGXRCSA-N 0 3 322.836 2.211 20 30 DEEDHN Cc1ocnc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001275365387 1091691446 /nfs/dbraw/zinc/69/14/46/1091691446.db2.gz JDKQWTMSVAXZQK-ZIAGYGMSSA-N 0 3 311.385 2.131 20 30 DEEDHN CCC(C)(C)CC(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001671076006 1091734972 /nfs/dbraw/zinc/73/49/72/1091734972.db2.gz 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/nfs/dbraw/zinc/11/18/71/1092111871.db2.gz LEMORNWAZBGWLH-UHFFFAOYSA-N 0 3 317.433 2.206 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001494912653 1092299087 /nfs/dbraw/zinc/29/90/87/1092299087.db2.gz HQHOLERWLANBKK-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001273839734 1092302481 /nfs/dbraw/zinc/30/24/81/1092302481.db2.gz BXNOCSTZCBUFQQ-PKOBYXMFSA-N 0 3 320.477 2.243 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)c2cncs2)c1 ZINC001273880113 1092476711 /nfs/dbraw/zinc/47/67/11/1092476711.db2.gz WWAQBVQNHBVRBY-UPHRSURJSA-N 0 3 312.398 2.091 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001488759181 1092734702 /nfs/dbraw/zinc/73/47/02/1092734702.db2.gz BIOLPTXWUKRPOP-IXDOHACOSA-N 0 3 302.393 2.271 20 30 DEEDHN CC(C)C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001488813881 1092761344 /nfs/dbraw/zinc/76/13/44/1092761344.db2.gz YRRBZJKFXIHIMX-CTYIDZIISA-N 0 3 303.381 2.338 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1nccn1C ZINC001488988263 1092866915 /nfs/dbraw/zinc/86/69/15/1092866915.db2.gz OUPXPAGJCSJPNY-HOTGVXAUSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)COC)C1 ZINC001489097400 1092911091 /nfs/dbraw/zinc/91/10/91/1092911091.db2.gz XMTQANVOJOYSKV-IAGOWNOFSA-N 0 3 320.408 2.322 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1CCc1ccns1 ZINC001489114880 1092925651 /nfs/dbraw/zinc/92/56/51/1092925651.db2.gz TVLJTPYMHUIISR-JKSUJKDBSA-N 0 3 319.474 2.314 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001489157104 1092958896 /nfs/dbraw/zinc/95/88/96/1092958896.db2.gz YSYNZENJCMPYHR-QGZVFWFLSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1nocc1C ZINC001489329657 1093022701 /nfs/dbraw/zinc/02/27/01/1093022701.db2.gz CRUYOIBKCVSHBS-HNNXBMFYSA-N 0 3 321.421 2.112 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CNC(=O)CCC(C)C ZINC001489329833 1093024218 /nfs/dbraw/zinc/02/42/18/1093024218.db2.gz JXNVPMKGESWOLD-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001489333092 1093026437 /nfs/dbraw/zinc/02/64/37/1093026437.db2.gz JHSNDMNTTJQGIU-HNNXBMFYSA-N 0 3 315.889 2.392 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1cccc(COC)c1 ZINC001493148833 1093063594 /nfs/dbraw/zinc/06/35/94/1093063594.db2.gz MPCUACZAZUHDHO-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001489881409 1093147759 /nfs/dbraw/zinc/14/77/59/1093147759.db2.gz IMXWJVOMSCDAAR-ARFHVFGLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001490102512 1093199642 /nfs/dbraw/zinc/19/96/42/1093199642.db2.gz JOMZWXONGDGFQE-VYDXJSESSA-N 0 3 323.481 2.035 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)C#CC(C)(C)C)cn1 ZINC001490192592 1093240938 /nfs/dbraw/zinc/24/09/38/1093240938.db2.gz BOLMTWMJDNIAOK-UHFFFAOYSA-N 0 3 317.433 2.078 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@H]1COc2ccccc21)C1CC1 ZINC001490393591 1093342232 /nfs/dbraw/zinc/34/22/32/1093342232.db2.gz VLVBYXMGLQXBHD-KRWDZBQOSA-N 0 3 312.413 2.157 20 30 DEEDHN CC#CCN(CCCNC(=O)c1scnc1Cl)C1CC1 ZINC001490394726 1093344174 /nfs/dbraw/zinc/34/41/74/1093344174.db2.gz XYGTVPHCQGGWSI-UHFFFAOYSA-N 0 3 311.838 2.404 20 30 DEEDHN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001490454296 1093391924 /nfs/dbraw/zinc/39/19/24/1093391924.db2.gz GXULHPDBDQVVMV-CABCVRRESA-N 0 3 317.433 2.232 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)cc1C ZINC001274030165 1093772793 /nfs/dbraw/zinc/77/27/93/1093772793.db2.gz FGFYMTSXBBTCMK-QZTJIDSGSA-N 0 3 307.397 2.065 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc2cncn21 ZINC001274110981 1093802796 /nfs/dbraw/zinc/80/27/96/1093802796.db2.gz QKOMZJNGFOUCHM-IAGOWNOFSA-N 0 3 310.401 2.086 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3cc(C)ns3)CC2)C1=O ZINC001274137279 1093814359 /nfs/dbraw/zinc/81/43/59/1093814359.db2.gz OQGSZBIVHKJWMZ-KRWDZBQOSA-N 0 3 317.458 2.289 20 30 DEEDHN C[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1NCC#Cc1ccc(F)cc1 ZINC001274166052 1093830855 /nfs/dbraw/zinc/83/08/55/1093830855.db2.gz XXPLEAVKHVXZHP-WFASDCNBSA-N 0 3 324.346 2.269 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc([O-])cc(F)c3)C2)C1=O ZINC001274213974 1093855080 /nfs/dbraw/zinc/85/50/80/1093855080.db2.gz QBKYHUDMNNVGSE-QGZVFWFLSA-N 0 3 304.365 2.142 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@H+](Cc3cc([O-])cc(F)c3)C2)C1=O ZINC001274213974 1093855084 /nfs/dbraw/zinc/85/50/84/1093855084.db2.gz QBKYHUDMNNVGSE-QGZVFWFLSA-N 0 3 304.365 2.142 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001480196261 1151712643 /nfs/dbraw/zinc/71/26/43/1151712643.db2.gz JPZUSVZSWJIPJQ-VFFJXMNASA-N 0 3 313.239 2.488 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccnc1C(F)(F)F ZINC001329561423 1148923058 /nfs/dbraw/zinc/92/30/58/1148923058.db2.gz RUOUKAAQLLHSNM-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CC12CCOCC2 ZINC001277373289 1138330019 /nfs/dbraw/zinc/33/00/19/1138330019.db2.gz TZTYFQPEQPCFMY-UONOGXRCSA-N 0 3 314.857 2.430 20 30 DEEDHN C#CCCCC(=O)NC1(C)CCN(CCc2ccns2)CC1 ZINC001278046627 1138491495 /nfs/dbraw/zinc/49/14/95/1138491495.db2.gz UVXHTCBKRMWWIO-UHFFFAOYSA-N 0 3 319.474 2.460 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCCO1)C1CCN(CC(=C)C)CC1 ZINC001278121695 1138714935 /nfs/dbraw/zinc/71/49/35/1138714935.db2.gz JTULBUSJXSXXMR-KRWDZBQOSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCN(C(=O)c1cncc(Cl)c1)C1CCN(CC=C)CC1 ZINC001278188306 1138823004 /nfs/dbraw/zinc/82/30/04/1138823004.db2.gz MAVKFESIQRHMCE-UHFFFAOYSA-N 0 3 317.820 2.461 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cncnc1C)C2 ZINC001238163554 1138829516 /nfs/dbraw/zinc/82/95/16/1138829516.db2.gz GEINDURMDBDOAF-ROUUACIJSA-N 0 3 317.433 2.359 20 30 DEEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)[C@@H]1C ZINC001238409842 1138844200 /nfs/dbraw/zinc/84/42/00/1138844200.db2.gz PWPMJRIWRHXOLO-IUODEOHRSA-N 0 3 302.374 2.340 20 30 DEEDHN COc1cc(CN2CCc3ccc(=O)[nH]c3CC2)ccc1C#N ZINC001238413329 1138844525 /nfs/dbraw/zinc/84/45/25/1138844525.db2.gz PFGPJAYQSKKBQR-UHFFFAOYSA-N 0 3 309.369 2.268 20 30 DEEDHN N#Cc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC001239231585 1139000750 /nfs/dbraw/zinc/00/07/50/1139000750.db2.gz RGTILMHWKPHNAU-KRWDZBQOSA-N 0 3 306.369 2.394 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001293649312 1139013719 /nfs/dbraw/zinc/01/37/19/1139013719.db2.gz CDIPSOGYKBOADA-JOZWUWCOSA-N 0 3 318.392 2.208 20 30 DEEDHN Cc1nc(C#N)cnc1-c1ccc(CN2CCN(C)CC2)cc1 ZINC001240396356 1139356749 /nfs/dbraw/zinc/35/67/49/1139356749.db2.gz SVBYJTFXMCCMIY-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1OCC#N ZINC001297380445 1139865148 /nfs/dbraw/zinc/86/51/48/1139865148.db2.gz YZCVPUWYHXDJBD-UHFFFAOYSA-N 0 3 301.390 2.169 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001298127217 1140005353 /nfs/dbraw/zinc/00/53/53/1140005353.db2.gz DUZOLAGQHIOGJP-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001298667376 1140071111 /nfs/dbraw/zinc/07/11/11/1140071111.db2.gz IZUHQMRLHSRPBD-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC001299106447 1140145680 /nfs/dbraw/zinc/14/56/80/1140145680.db2.gz STRGBBMNFKGISE-UHFFFAOYSA-N 0 3 320.389 2.205 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C#CC(C)(C)C)C2)CC1 ZINC001316667830 1140248102 /nfs/dbraw/zinc/24/81/02/1140248102.db2.gz AFCQBUOORMEHCB-INIZCTEOSA-N 0 3 300.446 2.372 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001491752245 1140295997 /nfs/dbraw/zinc/29/59/97/1140295997.db2.gz YIHQGSBLWKMTCJ-ZBFHGGJFSA-N 0 3 302.393 2.218 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001491800068 1140314646 /nfs/dbraw/zinc/31/46/46/1140314646.db2.gz DMYOHHLRTQNCKB-BPLGCGBFSA-N 0 3 301.217 2.157 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001318425711 1140325264 /nfs/dbraw/zinc/32/52/64/1140325264.db2.gz VUEMSSGWIUYXOY-MRXNPFEDSA-N 0 3 318.465 2.098 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](N[C@H](C)c2cnccn2)CC1 ZINC001318947353 1140475530 /nfs/dbraw/zinc/47/55/30/1140475530.db2.gz HJRKPJGCVULULF-BZUAXINKSA-N 0 3 314.433 2.358 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC(C)(C)C ZINC001319078459 1140501059 /nfs/dbraw/zinc/50/10/59/1140501059.db2.gz OUNNXAYUSKXLPY-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN CC#CCCCC(=O)NCC1(NCc2ccnn2C)CCCC1 ZINC001319373460 1140558202 /nfs/dbraw/zinc/55/82/02/1140558202.db2.gz ZYSBQDAMZNKGJU-UHFFFAOYSA-N 0 3 316.449 2.132 20 30 DEEDHN CC#CCCCC(=O)N1CCC2(CN(CCOCC)C2)CC1 ZINC001319404960 1140564841 /nfs/dbraw/zinc/56/48/41/1140564841.db2.gz HBTYEGPEGBFRQP-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001278403145 1140591919 /nfs/dbraw/zinc/59/19/19/1140591919.db2.gz GXQJOOMGRUEQEN-KSSFIOAISA-N 0 3 322.412 2.293 20 30 DEEDHN N#Cc1cc(-c2cc(CN)ncn2)ccc1OC1CCOCC1 ZINC001245304963 1140605713 /nfs/dbraw/zinc/60/57/13/1140605713.db2.gz ZRNKRIHALYBWPU-UHFFFAOYSA-N 0 3 310.357 2.032 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001319527564 1140610178 /nfs/dbraw/zinc/61/01/78/1140610178.db2.gz IRJQSMDKRXCGMW-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C12CCC(CC1)CC2 ZINC001319589801 1140621247 /nfs/dbraw/zinc/62/12/47/1140621247.db2.gz NGBNFGSXJGHMEN-KLHKWILBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C1(CC)CCCCC1 ZINC001319590101 1140621537 /nfs/dbraw/zinc/62/15/37/1140621537.db2.gz OJYIDQYJFHJSFV-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCOCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319594073 1140622461 /nfs/dbraw/zinc/62/24/61/1140622461.db2.gz RJXNSQNQSIAXAG-KRWDZBQOSA-N 0 3 314.429 2.067 20 30 DEEDHN C=CCCOCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319594074 1140622524 /nfs/dbraw/zinc/62/25/24/1140622524.db2.gz RJXNSQNQSIAXAG-QGZVFWFLSA-N 0 3 314.429 2.067 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccnn1C ZINC001319846820 1140764622 /nfs/dbraw/zinc/76/46/22/1140764622.db2.gz FUAKYJPJLYQFNU-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001278411868 1140789670 /nfs/dbraw/zinc/78/96/70/1140789670.db2.gz ZUSJLWGITSCTTM-SFHVURJKSA-N 0 3 317.433 2.095 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Cl)cc1OC ZINC001320048265 1140815937 /nfs/dbraw/zinc/81/59/37/1140815937.db2.gz NRBHPFRJRKUUOC-UHFFFAOYSA-N 0 3 308.809 2.376 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(OC)cc(OC)c1 ZINC001320077929 1140819046 /nfs/dbraw/zinc/81/90/46/1140819046.db2.gz DMWVYLLGLHUBGC-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C1(c2ccccc2OC)CC1 ZINC001320091612 1140820198 /nfs/dbraw/zinc/82/01/98/1140820198.db2.gz XPPBUPUOSKKQOV-UHFFFAOYSA-N 0 3 314.429 2.140 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001278426624 1140851003 /nfs/dbraw/zinc/85/10/03/1140851003.db2.gz INLVJBDKBFRBKH-VQIMIIECSA-N 0 3 314.429 2.196 20 30 DEEDHN C[C@H](CCNCc1cccc(F)c1F)NC(=O)C#CC1CC1 ZINC001320422158 1140863191 /nfs/dbraw/zinc/86/31/91/1140863191.db2.gz IJBKTVSAECMFCW-GFCCVEGCSA-N 0 3 306.356 2.363 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnn2ccc(C)cc12 ZINC001320453087 1140867451 /nfs/dbraw/zinc/86/74/51/1140867451.db2.gz FEOJJBVBVWMVBW-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ncn2ccc(C)cc12 ZINC001320474712 1140869680 /nfs/dbraw/zinc/86/96/80/1140869680.db2.gz SVERXEDDGWMAHZ-CYBMUJFWSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nc(C)n2ccccc12 ZINC001320492562 1140871762 /nfs/dbraw/zinc/87/17/62/1140871762.db2.gz SRORDKCXTPAHIQ-GFCCVEGCSA-N 0 3 320.824 2.493 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc2cnccc2c1 ZINC001492488651 1140872376 /nfs/dbraw/zinc/87/23/76/1140872376.db2.gz TWKNQHCYVWLNAF-UHFFFAOYSA-N 0 3 313.401 2.099 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC001320616691 1140886261 /nfs/dbraw/zinc/88/62/61/1140886261.db2.gz UBWNQZUAUDCXKF-CYBMUJFWSA-N 0 3 310.825 2.475 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1coc(C)n1 ZINC001320717386 1140897979 /nfs/dbraw/zinc/89/79/79/1140897979.db2.gz RUJKCTSJRLOJDS-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1c(C)noc1C(F)(F)F ZINC001320855375 1140960154 /nfs/dbraw/zinc/96/01/54/1140960154.db2.gz YGLBNIIIWGHTQF-UHFFFAOYSA-N 0 3 317.311 2.077 20 30 DEEDHN C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001278457276 1141001240 /nfs/dbraw/zinc/00/12/40/1141001240.db2.gz YWHLVQCZZVXQBM-SFHVURJKSA-N 0 3 318.417 2.037 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001321173547 1141074955 /nfs/dbraw/zinc/07/49/55/1141074955.db2.gz GNYWOYSHONJKFG-TUYSUELWSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cncn2C)CCCC1 ZINC001321769583 1141340406 /nfs/dbraw/zinc/34/04/06/1141340406.db2.gz YLHSUVFXRCDPQM-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H](C)CNC[C@@H](F)CC)cc1 ZINC001322012221 1141381406 /nfs/dbraw/zinc/38/14/06/1141381406.db2.gz FVIIRHBBFMNQKK-ZFWWWQNUSA-N 0 3 306.381 2.155 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cccc(C)c1Cl ZINC001322022656 1141383235 /nfs/dbraw/zinc/38/32/35/1141383235.db2.gz DYBVJHVIPODHKD-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccc(F)s1 ZINC001322307695 1141513699 /nfs/dbraw/zinc/51/36/99/1141513699.db2.gz RQRZJBFQKPMECJ-LLVKDONJSA-N 0 3 300.399 2.140 20 30 DEEDHN Cn1cccc1C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001322960340 1141780828 /nfs/dbraw/zinc/78/08/28/1141780828.db2.gz SDRNNXCTEPKBQV-GOSISDBHSA-N 0 3 321.424 2.175 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001323008589 1141801089 /nfs/dbraw/zinc/80/10/89/1141801089.db2.gz WEJWKDKCZZWULU-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2cscn2)[C@@H](CC)C1 ZINC001323128959 1141815917 /nfs/dbraw/zinc/81/59/17/1141815917.db2.gz IMSSGFDSVGAZKM-DZGCQCFKSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1CC ZINC001323241098 1141831605 /nfs/dbraw/zinc/83/16/05/1141831605.db2.gz FGEISGYBDULYIT-LSDHHAIUSA-N 0 3 304.438 2.163 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1ccc(N(C)C)cc1 ZINC001323261046 1141834195 /nfs/dbraw/zinc/83/41/95/1141834195.db2.gz ZUUARQKTACAZQI-SFHVURJKSA-N 0 3 315.461 2.452 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ncccc1OC ZINC001323340248 1141843670 /nfs/dbraw/zinc/84/36/70/1141843670.db2.gz MUGYIZQXGHBCHI-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN N#Cc1ccc(-c2ccc(-c3noc([C@H](N)CN)n3)cc2)cc1 ZINC001249126655 1141852659 /nfs/dbraw/zinc/85/26/59/1141852659.db2.gz CPPSPAHLRGMGQM-OAHLLOKOSA-N 0 3 305.341 2.234 20 30 DEEDHN CO[C@@H](CN)c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001249367335 1141879271 /nfs/dbraw/zinc/87/92/71/1141879271.db2.gz CXHIXBYIYJGJAW-JTQLQIEISA-N 0 3 323.150 2.017 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001323592520 1141867852 /nfs/dbraw/zinc/86/78/52/1141867852.db2.gz UEBVNQICISPLFM-HNNXBMFYSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC[C@@H]1CCOC1 ZINC001323763108 1141884859 /nfs/dbraw/zinc/88/48/59/1141884859.db2.gz KDUHOODFGVWXOI-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001324020983 1141960498 /nfs/dbraw/zinc/96/04/98/1141960498.db2.gz CWBGRHNAKLUORV-SJORKVTESA-N 0 3 317.433 2.324 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)c1cnn(C)c1)C1CC1 ZINC001421568371 1171851623 /nfs/dbraw/zinc/85/16/23/1171851623.db2.gz IIROTTOZMCJZCL-WBMJQRKESA-N 0 3 324.856 2.151 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001278585485 1142247530 /nfs/dbraw/zinc/24/75/30/1142247530.db2.gz LWCQFLBMDWRXGS-HUUCEWRRSA-N 0 3 318.465 2.490 20 30 DEEDHN CC1(CNC(=O)CSCC#N)CCN(C/C=C\Cl)CC1 ZINC001278593196 1142287098 /nfs/dbraw/zinc/28/70/98/1142287098.db2.gz DDUFTAMHOCPSFT-DJWKRKHSSA-N 0 3 315.870 2.214 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COc2cccc(F)c2)ccc1F ZINC001250825753 1142327901 /nfs/dbraw/zinc/32/79/01/1142327901.db2.gz DQEACWAEZZGQNI-OAHLLOKOSA-N 0 3 318.323 2.366 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2(C)CCN(CC#CCOC)CC2)C1 ZINC001278622378 1142368013 /nfs/dbraw/zinc/36/80/13/1142368013.db2.gz HGCJJMZRNVCAOX-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCOC[C@H](O)CN[C@H](c1ccncc1)c1ccccc1C ZINC001251820858 1142516134 /nfs/dbraw/zinc/51/61/34/1142516134.db2.gz ACAOATJABQUWKX-IEBWSBKVSA-N 0 3 310.397 2.080 20 30 DEEDHN C#CCOC[C@H](O)CN1CCC(Oc2ccccc2Cl)CC1 ZINC001251847727 1142521776 /nfs/dbraw/zinc/52/17/76/1142521776.db2.gz LJJQJLHOLYTSTG-CQSZACIVSA-N 0 3 323.820 2.194 20 30 DEEDHN C#CCOC[C@@H](O)CNC1(c2cccc(Br)c2)CC1 ZINC001251893269 1142535923 /nfs/dbraw/zinc/53/59/23/1142535923.db2.gz AJGWHHVVEUDRJB-AWEZNQCLSA-N 0 3 324.218 2.039 20 30 DEEDHN C#CCOC[C@H](O)CN[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC001251893502 1142536616 /nfs/dbraw/zinc/53/66/16/1142536616.db2.gz FXDPRFZZSHZWIR-RHSMWYFYSA-N 0 3 315.417 2.250 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC001336703714 1142538166 /nfs/dbraw/zinc/53/81/66/1142538166.db2.gz QVRUKMNITTTYQJ-UHFFFAOYSA-N 0 3 315.417 2.212 20 30 DEEDHN CCCCCCCC[C@@H](O)CNCc1cncc(C(N)=O)c1 ZINC001252139186 1142654682 /nfs/dbraw/zinc/65/46/82/1142654682.db2.gz KOKDVUPCGSSMMF-MRXNPFEDSA-N 0 3 307.438 2.382 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CCC[C@H](NC(=O)NC)C1 ZINC001252134798 1142655144 /nfs/dbraw/zinc/65/51/44/1142655144.db2.gz ZBWRKZNZYUAQQQ-HOTGVXAUSA-N 0 3 313.486 2.491 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cc(F)ccc1C(F)(F)F ZINC001252487388 1142732393 /nfs/dbraw/zinc/73/23/93/1142732393.db2.gz SQGRVFHJISRHMZ-GFCCVEGCSA-N 0 3 307.287 2.498 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)N[C@H]2CCN(CCC)C2)c1 ZINC001337401215 1142746343 /nfs/dbraw/zinc/74/63/43/1142746343.db2.gz ILRYIHWRBRWMPD-INIZCTEOSA-N 0 3 315.417 2.259 20 30 DEEDHN C=C[C@@](C)(O)CN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001252559190 1142766469 /nfs/dbraw/zinc/76/64/69/1142766469.db2.gz SHWRKHSHODHPAQ-JKIFEVAISA-N 0 3 310.438 2.397 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(OC)cc2C)CC1 ZINC001252604024 1142785501 /nfs/dbraw/zinc/78/55/01/1142785501.db2.gz LCQJEDZXOKCZFM-MRXNPFEDSA-N 0 3 304.434 2.453 20 30 DEEDHN C=CCC[C@H](O)CNCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001252623847 1142795830 /nfs/dbraw/zinc/79/58/30/1142795830.db2.gz RSJJYWYHISWJDY-ZDUSSCGKSA-N 0 3 316.357 2.487 20 30 DEEDHN O=C1C=C2CN(C[C@@H](O)c3ccc(F)c(F)c3)CCC2S1 ZINC001253349514 1142864273 /nfs/dbraw/zinc/86/42/73/1142864273.db2.gz DXISKXDMBZJPSI-KGLIPLIRSA-N 0 3 311.353 2.272 20 30 DEEDHN C=CCn1c([C@H](C)O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001338940733 1142893672 /nfs/dbraw/zinc/89/36/72/1142893672.db2.gz CMYQCODVYZIIGK-AWEZNQCLSA-N 0 3 321.469 2.076 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](O)CNCc1ccccc1Cl ZINC001278736905 1142894322 /nfs/dbraw/zinc/89/43/22/1142894322.db2.gz CZSSTOXDOHKBAZ-AWEZNQCLSA-N 0 3 310.825 2.215 20 30 DEEDHN C=CCO[C@@H]1CCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC001254556424 1143247043 /nfs/dbraw/zinc/24/70/43/1143247043.db2.gz KRXSNRYRLXIYTD-MRXNPFEDSA-N 0 3 307.438 2.013 20 30 DEEDHN C=CCO[C@H]1CCN(C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001254558340 1143249057 /nfs/dbraw/zinc/24/90/57/1143249057.db2.gz VPALWMJWKUXYRJ-KRWDZBQOSA-N 0 3 317.433 2.105 20 30 DEEDHN N#C[C@H]1CC[C@H](N2CCC(NC(=O)N3CCCCC3)CC2)C1 ZINC001254676223 1143310159 /nfs/dbraw/zinc/31/01/59/1143310159.db2.gz JEYMIEBEWFITBI-HOCLYGCPSA-N 0 3 304.438 2.339 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001340552909 1143370298 /nfs/dbraw/zinc/37/02/98/1143370298.db2.gz GQRHZSQCUVQYGX-WFASDCNBSA-N 0 3 315.417 2.432 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN(C(C)(C)C)CC1 ZINC001340585001 1143376101 /nfs/dbraw/zinc/37/61/01/1143376101.db2.gz ZSBXABUCWXKDOU-ZIAGYGMSSA-N 0 3 314.437 2.012 20 30 DEEDHN C=CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCN(C(C)(C)C)CC1 ZINC001340584999 1143376193 /nfs/dbraw/zinc/37/61/93/1143376193.db2.gz ZSBXABUCWXKDOU-KGLIPLIRSA-N 0 3 314.437 2.012 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC001341998641 1143765821 /nfs/dbraw/zinc/76/58/21/1143765821.db2.gz DXMRJCAKMQVVQY-ZIAGYGMSSA-N 0 3 304.390 2.319 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001278873217 1143766703 /nfs/dbraw/zinc/76/67/03/1143766703.db2.gz CVJBMCOXMSFJIL-YOEHRIQHSA-N 0 3 322.424 2.256 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]1OC ZINC001342049562 1143776139 /nfs/dbraw/zinc/77/61/39/1143776139.db2.gz SNSZGQKWFYRGJS-BZPMIXESSA-N 0 3 316.357 2.158 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC001342466503 1143819305 /nfs/dbraw/zinc/81/93/05/1143819305.db2.gz BOVKIVPIJLJNTA-JYJNAYRXSA-N 0 3 323.481 2.191 20 30 DEEDHN C=C[C@H](COC)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001342731142 1143832994 /nfs/dbraw/zinc/83/29/94/1143832994.db2.gz DTONCOBICFBLLQ-CGTJXYLNSA-N 0 3 304.434 2.067 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)OC)c1ccccc1CC ZINC001278969266 1143870914 /nfs/dbraw/zinc/87/09/14/1143870914.db2.gz HJLMRCIGFRANRW-YOEHRIQHSA-N 0 3 302.418 2.054 20 30 DEEDHN C=CCC[C@@H](C)n1nc(C(=O)NC2CCC2)c2c1CCNC2 ZINC001258727638 1144036066 /nfs/dbraw/zinc/03/60/66/1144036066.db2.gz HEQJZUUEVJYRJT-GFCCVEGCSA-N 0 3 302.422 2.338 20 30 DEEDHN C=CCC[C@@H](C)n1nc(C(=O)NCC2CC2)c2c1CCNC2 ZINC001258730804 1144037112 /nfs/dbraw/zinc/03/71/12/1144037112.db2.gz OCWPVQRCSPERDD-GFCCVEGCSA-N 0 3 302.422 2.196 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001258731939 1144037289 /nfs/dbraw/zinc/03/72/89/1144037289.db2.gz FYHUJPQUXKBFBM-INIZCTEOSA-N 0 3 300.450 2.243 20 30 DEEDHN C=CCCCC(=O)N[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001299568824 1144078041 /nfs/dbraw/zinc/07/80/41/1144078041.db2.gz OGWCFNKWWTWZBC-WMZOPIPTSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1cnc(N2CCCN(Cc3ccc(C)cc3)CC2)nc1 ZINC001261260581 1144228585 /nfs/dbraw/zinc/22/85/85/1144228585.db2.gz RMEAYMDNCQPARI-UHFFFAOYSA-N 0 3 306.413 2.479 20 30 DEEDHN CN(C)c1ccc(F)cc1CNCCNc1ncccc1C#N ZINC001261850695 1144278794 /nfs/dbraw/zinc/27/87/94/1144278794.db2.gz VJTDFXKHWRCCBD-UHFFFAOYSA-N 0 3 313.380 2.360 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001263805831 1144396649 /nfs/dbraw/zinc/39/66/49/1144396649.db2.gz WZYZCHABMCIABL-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ccncn1 ZINC001263959642 1144432936 /nfs/dbraw/zinc/43/29/36/1144432936.db2.gz XYCFUSCIIAUVAK-DOMZBBRYSA-N 0 3 322.840 2.450 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cscc2C)C1 ZINC001264074603 1144454557 /nfs/dbraw/zinc/45/45/57/1144454557.db2.gz GFHIWWTULITLOB-CQSZACIVSA-N 0 3 308.447 2.141 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@@H]2C1 ZINC001264099627 1144465104 /nfs/dbraw/zinc/46/51/04/1144465104.db2.gz JWDURZHCFWIZTO-MCIONIFRSA-N 0 3 316.367 2.379 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCCC[C@H](NCC(=O)NCC)C1 ZINC001264123109 1144476233 /nfs/dbraw/zinc/47/62/33/1144476233.db2.gz ZVNVMXIAIITJBG-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C ZINC001264138397 1144482357 /nfs/dbraw/zinc/48/23/57/1144482357.db2.gz WQRNJKTYQPVMEB-WBVHZDCISA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1 ZINC001264186199 1144501270 /nfs/dbraw/zinc/50/12/70/1144501270.db2.gz SJZINSLXBXCCMD-INIZCTEOSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1scnc1C ZINC001264377155 1144520472 /nfs/dbraw/zinc/52/04/72/1144520472.db2.gz WEIZDMZXVGHKIR-CQSZACIVSA-N 0 3 307.463 2.493 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](NCc3conc3C)C2)C1 ZINC001264403248 1144529406 /nfs/dbraw/zinc/52/94/06/1144529406.db2.gz JCIANZWWBOWIBD-OTVXOJSOSA-N 0 3 303.406 2.324 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@H](C)OC)C2 ZINC001281085151 1144609618 /nfs/dbraw/zinc/60/96/18/1144609618.db2.gz HTKGUMBBWZQENB-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001265068096 1144636954 /nfs/dbraw/zinc/63/69/54/1144636954.db2.gz XIMZUVDSDSDPCN-AWEZNQCLSA-N 0 3 306.381 2.054 20 30 DEEDHN C=C(Cl)CN(C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001265073123 1144637399 /nfs/dbraw/zinc/63/73/99/1144637399.db2.gz QPGZUGVZLNZWAF-AWEZNQCLSA-N 0 3 301.862 2.051 20 30 DEEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1cn(C(C)C)nc1C ZINC001265107074 1144644998 /nfs/dbraw/zinc/64/49/98/1144644998.db2.gz YMYCDQZVRMRLHI-CQSZACIVSA-N 0 3 319.453 2.260 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001265196134 1144664740 /nfs/dbraw/zinc/66/47/40/1144664740.db2.gz ZFDYNPOAVACRMJ-GFCCVEGCSA-N 0 3 322.371 2.310 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001265219417 1144670030 /nfs/dbraw/zinc/67/00/30/1144670030.db2.gz YUPSWECIWWYZKX-MRXNPFEDSA-N 0 3 315.417 2.172 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001265274950 1144680090 /nfs/dbraw/zinc/68/00/90/1144680090.db2.gz JVMLERCHDOQRTQ-NVXWUHKLSA-N 0 3 300.402 2.067 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001265292066 1144684788 /nfs/dbraw/zinc/68/47/88/1144684788.db2.gz FGDVROXQOVENFH-CQSZACIVSA-N 0 3 312.417 2.262 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001265386743 1144701143 /nfs/dbraw/zinc/70/11/43/1144701143.db2.gz LXHKWPUJIBNYJO-MJGOQNOKSA-N 0 3 323.440 2.368 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)COCC(F)F ZINC001265410289 1144702797 /nfs/dbraw/zinc/70/27/97/1144702797.db2.gz QZJZNPNAHGDSNV-MCIONIFRSA-N 0 3 316.392 2.298 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@H]1CCC1(F)F ZINC001265483099 1144706469 /nfs/dbraw/zinc/70/64/69/1144706469.db2.gz JEMVMTAJSGANLG-BZUAXINKSA-N 0 3 318.367 2.320 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001265492774 1144707140 /nfs/dbraw/zinc/70/71/40/1144707140.db2.gz YDPNPVQJKLNBLP-AVGNSLFASA-N 0 3 323.462 2.491 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001265554179 1144711640 /nfs/dbraw/zinc/71/16/40/1144711640.db2.gz MQUXFWPVRPNCLM-BARDWOONSA-N 0 3 302.422 2.377 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001265592426 1144715707 /nfs/dbraw/zinc/71/57/07/1144715707.db2.gz BAXIEHJDYBAANB-CABCVRRESA-N 0 3 302.393 2.391 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001265596324 1144716381 /nfs/dbraw/zinc/71/63/81/1144716381.db2.gz AFQOESXAMRZSDI-MSOLQXFVSA-N 0 3 316.420 2.419 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)NCc1ccc(C)nc1C ZINC001265810679 1144742769 /nfs/dbraw/zinc/74/27/69/1144742769.db2.gz CXIWDLYKTBUCRU-HNNXBMFYSA-N 0 3 301.434 2.486 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001266102300 1144805819 /nfs/dbraw/zinc/80/58/19/1144805819.db2.gz HKMJUBBUTWORFD-SJORKVTESA-N 0 3 316.449 2.026 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC001266214025 1144814911 /nfs/dbraw/zinc/81/49/11/1144814911.db2.gz AHQIMLSFSRXLLD-IRXDYDNUSA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)/C=C\c1ccc[nH]1 ZINC001279304553 1144820438 /nfs/dbraw/zinc/82/04/38/1144820438.db2.gz KTYUYCWKOIEWMD-KHPPLWFESA-N 0 3 307.397 2.280 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H](OC)C(C)C)c(F)c1 ZINC001279716536 1144827652 /nfs/dbraw/zinc/82/76/52/1144827652.db2.gz VGYKYHZNDVRWJD-INIZCTEOSA-N 0 3 308.397 2.389 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCOCC(F)(F)F ZINC001316598577 1144827732 /nfs/dbraw/zinc/82/77/32/1144827732.db2.gz CJXWOIQKQRSKIE-GFCCVEGCSA-N 0 3 308.344 2.064 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCC(=O)NCC(C)(C)C)CCC1 ZINC001280483331 1144842037 /nfs/dbraw/zinc/84/20/37/1144842037.db2.gz UNQBMBDPJWXARZ-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN CC[C@H](CC(=O)NCC1(NCC#CCOC)CCC1)C(C)C ZINC001280533688 1144844312 /nfs/dbraw/zinc/84/43/12/1144844312.db2.gz FAXJDFHZJBAFOG-MRXNPFEDSA-N 0 3 308.466 2.337 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2(C)C(C)(C)C2(C)C)CCC1 ZINC001280549796 1144844857 /nfs/dbraw/zinc/84/48/57/1144844857.db2.gz XOEBROZIARUNRQ-UHFFFAOYSA-N 0 3 320.477 2.337 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](CCC)c2ccccc2)CCO1 ZINC001280667008 1144848546 /nfs/dbraw/zinc/84/85/46/1144848546.db2.gz IABBBKVYOBGMFB-MSOLQXFVSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCC[C@@H](C)O)CC1 ZINC001316607052 1144861803 /nfs/dbraw/zinc/86/18/03/1144861803.db2.gz QOAPWGVAGFOKFC-NVXWUHKLSA-N 0 3 308.466 2.427 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@H]1NCC#Cc1ccccc1 ZINC001281430529 1144888986 /nfs/dbraw/zinc/88/89/86/1144888986.db2.gz QEEOLPHDPFMXCC-DOTOQJQBSA-N 0 3 302.393 2.224 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@@H]1NCC#Cc1ccccc1 ZINC001281430531 1144889090 /nfs/dbraw/zinc/88/90/90/1144889090.db2.gz QEEOLPHDPFMXCC-WBVHZDCISA-N 0 3 302.393 2.224 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COC2CCCCC2)C[C@H]1C ZINC001281668871 1144903410 /nfs/dbraw/zinc/90/34/10/1144903410.db2.gz FQMICHWVOXDMOX-CVEARBPZSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)o1 ZINC001281920170 1144920215 /nfs/dbraw/zinc/92/02/15/1144920215.db2.gz TUEOMWCPGPMKJV-OAHLLOKOSA-N 0 3 306.406 2.327 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1coc(C)c1 ZINC001281932450 1144920792 /nfs/dbraw/zinc/92/07/92/1144920792.db2.gz 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ZINC001283166506 1145299496 /nfs/dbraw/zinc/29/94/96/1145299496.db2.gz ZGEMYEQQWUKQHJ-HNNXBMFYSA-N 0 3 317.433 2.124 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(C)cc(OC)c1C ZINC001283638807 1145556983 /nfs/dbraw/zinc/55/69/83/1145556983.db2.gz GGVRTPVPCKZKNE-CQSZACIVSA-N 0 3 302.418 2.385 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccc[nH]1 ZINC001283939087 1145718017 /nfs/dbraw/zinc/71/80/17/1145718017.db2.gz LQTBGBMVNWTHJX-APWZRJJASA-N 0 3 321.424 2.188 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)CCC2CCCC2)C1 ZINC001283944184 1145721683 /nfs/dbraw/zinc/72/16/83/1145721683.db2.gz DCSRBBBBZLTIAL-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)c(C)n1 ZINC001283981311 1145735299 /nfs/dbraw/zinc/73/52/99/1145735299.db2.gz DYYDHJUWTXJSKZ-CRAIPNDOSA-N 0 3 313.445 2.437 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC001365322219 1145847209 /nfs/dbraw/zinc/84/72/09/1145847209.db2.gz KDPQRPCFLXTROB-KDOFPFPSSA-N 0 3 317.408 2.370 20 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ZINC001366107823 1147059217 /nfs/dbraw/zinc/05/92/17/1147059217.db2.gz DRINMTLSENWVAU-CZFOOCMKSA-N 0 3 319.355 2.349 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)C2(c3ccccc3F)CC2)C1 ZINC001493251667 1147073904 /nfs/dbraw/zinc/07/39/04/1147073904.db2.gz VAYPUIMGLIDOBL-OAHLLOKOSA-N 0 3 314.404 2.319 20 30 DEEDHN C=CCCC(=O)NCCN(C)Cc1cccc2nsnc21 ZINC001492214545 1147154846 /nfs/dbraw/zinc/15/48/46/1147154846.db2.gz WYMQYWUEWNFCLL-UHFFFAOYSA-N 0 3 304.419 2.206 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001492236227 1147175985 /nfs/dbraw/zinc/17/59/85/1147175985.db2.gz IADHIDIEKLKAOP-GOSISDBHSA-N 0 3 304.434 2.179 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C(F)(F)F)NCc1ccc(C#N)s1 ZINC001366313264 1147205025 /nfs/dbraw/zinc/20/50/25/1147205025.db2.gz CAIQSHPKTZMJGX-RKDXNWHRSA-N 0 3 319.352 2.412 20 30 DEEDHN C[C@@H](CCNC(=O)[C@H]1CCCCO1)NCc1ccccc1C#N ZINC001366453583 1147289706 /nfs/dbraw/zinc/28/97/06/1147289706.db2.gz YZIFQZBIQRHAJN-WMLDXEAASA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2c1OCC2 ZINC001366486077 1147306195 /nfs/dbraw/zinc/30/61/95/1147306195.db2.gz IHPYLBIERSKQJE-LBPRGKRZSA-N 0 3 308.809 2.472 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2nccs2)[C@H]1CC ZINC001316742947 1147520924 /nfs/dbraw/zinc/52/09/24/1147520924.db2.gz ZZRSSTQHAJIZOT-UONOGXRCSA-N 0 3 305.447 2.068 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCCC[C@@H](NCC(=O)NCC)C1 ZINC001316771726 1147577234 /nfs/dbraw/zinc/57/72/34/1147577234.db2.gz IFLQOXCEMWMZLN-QAPCUYQASA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Oc2ccccn2)[C@H]1C ZINC001316796583 1147579669 /nfs/dbraw/zinc/57/96/69/1147579669.db2.gz OAXLMRIEGLBYRV-ILXRZTDVSA-N 0 3 303.406 2.004 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](OC)C2CCC2)CC(C)(C)C1 ZINC001316810251 1147582860 /nfs/dbraw/zinc/58/28/60/1147582860.db2.gz HZVPFOAEYKNXJD-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](OC)C2CCC2)CC(C)(C)C1 ZINC001316810252 1147582946 /nfs/dbraw/zinc/58/29/46/1147582946.db2.gz HZVPFOAEYKNXJD-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001316727497 1147592642 /nfs/dbraw/zinc/59/26/42/1147592642.db2.gz UAINEZBNZHKDEQ-LSDHHAIUSA-N 0 3 306.406 2.373 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCCC(F)(F)F)C[C@@H]2C1 ZINC001316756995 1147594948 /nfs/dbraw/zinc/59/49/48/1147594948.db2.gz KYLYWMGFXPFKEM-OLZOCXBDSA-N 0 3 302.340 2.133 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2(C(C)(F)F)CC2)[C@H]1C ZINC001316793145 1147600342 /nfs/dbraw/zinc/60/03/42/1147600342.db2.gz QKHIISZBFXIYHB-OLZOCXBDSA-N 0 3 316.392 2.203 20 30 DEEDHN COCC#CCN(CCCNC(=O)c1occc1Cl)C1CC1 ZINC001316923486 1147632275 /nfs/dbraw/zinc/63/22/75/1147632275.db2.gz QWLBMFLYJSAJAR-UHFFFAOYSA-N 0 3 324.808 2.167 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC001316936931 1147634754 /nfs/dbraw/zinc/63/47/54/1147634754.db2.gz IRBXDXUYHWDYCE-UHFFFAOYSA-N 0 3 304.438 2.068 20 30 DEEDHN C#CCCN1CCN(CCCNC(=O)C2(CCC)CCC2)CC1 ZINC001316959252 1147639525 /nfs/dbraw/zinc/63/95/25/1147639525.db2.gz FZCOJKPJTSTWQP-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2cc(C)sc2C)CC1 ZINC001316965292 1147640004 /nfs/dbraw/zinc/64/00/04/1147640004.db2.gz ATMCZLODVGEKKH-UHFFFAOYSA-N 0 3 321.490 2.288 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](OC)C2CCCC2)CC1 ZINC001317007174 1147647541 /nfs/dbraw/zinc/64/75/41/1147647541.db2.gz NPFNUZKZICQQEV-IAGOWNOFSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C ZINC001317043275 1147651990 /nfs/dbraw/zinc/65/19/90/1147651990.db2.gz AWECWEKAMHCNLH-BMFZPTHFSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2cccc3cccnc32)C1 ZINC001317141632 1147665834 /nfs/dbraw/zinc/66/58/34/1147665834.db2.gz ZQIVYCFWODMYQA-MRXNPFEDSA-N 0 3 321.424 2.239 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CCOC)C1 ZINC001317207376 1147676829 /nfs/dbraw/zinc/67/68/29/1147676829.db2.gz VGRHJJJHGUUNCI-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@H](c1ccccc1)C(C)C ZINC001317273477 1147685260 /nfs/dbraw/zinc/68/52/60/1147685260.db2.gz WFYMTQKBVGRKIU-WMZOPIPTSA-N 0 3 316.445 2.170 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001317294468 1147686642 /nfs/dbraw/zinc/68/66/42/1147686642.db2.gz MGSDCMBBNUYSBT-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2ccc(OC)nc2)C1 ZINC001317304035 1147688248 /nfs/dbraw/zinc/68/82/48/1147688248.db2.gz LYSGLVDZMPDUGW-HOCLYGCPSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cn(C(C)C)cn2)C1 ZINC001317379599 1147699708 /nfs/dbraw/zinc/69/97/08/1147699708.db2.gz YRYCMIFXODJJBT-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)C#CC2CC2)o1 ZINC001317421257 1147704710 /nfs/dbraw/zinc/70/47/10/1147704710.db2.gz NFRVDUZSLJNKQE-INIZCTEOSA-N 0 3 315.417 2.257 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001317517034 1147718970 /nfs/dbraw/zinc/71/89/70/1147718970.db2.gz QPQJKCYFPPRNNP-SJORKVTESA-N 0 3 302.393 2.171 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)COc2ccc(CC)cc2)C1 ZINC001317533305 1147721364 /nfs/dbraw/zinc/72/13/64/1147721364.db2.gz DDXPVSHBMSPPIU-KRWDZBQOSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001317547380 1147723165 /nfs/dbraw/zinc/72/31/65/1147723165.db2.gz XMNNSOYQYTVING-QGZVFWFLSA-N 0 3 320.408 2.365 20 30 DEEDHN CC(C)N(CCCNC(=O)C#CC(C)(C)C)Cc1cncn1C ZINC001317686373 1147744209 /nfs/dbraw/zinc/74/42/09/1147744209.db2.gz LOJUIJZWFKAMIN-UHFFFAOYSA-N 0 3 318.465 2.186 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CC ZINC001317735546 1147748380 /nfs/dbraw/zinc/74/83/80/1147748380.db2.gz SXSZYMSDQILXAO-QUWVXFTRSA-N 0 3 304.434 2.056 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001317790029 1147752677 /nfs/dbraw/zinc/75/26/77/1147752677.db2.gz QFFNSWSFQJODPH-MJGOQNOKSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001317988346 1147764820 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Cc1nc(CNCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)sc1C ZINC001326223180 1148060045 /nfs/dbraw/zinc/06/00/45/1148060045.db2.gz FZGGJVJEQKBZEU-SMDDNHRTSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cn3c(n2)CCC3)cc1 ZINC001326468409 1148108236 /nfs/dbraw/zinc/10/82/36/1148108236.db2.gz MDLOMLVVZVDUBJ-AWEZNQCLSA-N 0 3 322.412 2.043 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001326597575 1148157088 /nfs/dbraw/zinc/15/70/88/1148157088.db2.gz VBIKGOJQEZQBCW-UONOGXRCSA-N 0 3 303.324 2.399 20 30 DEEDHN C=C[C@@H](COC)NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001326597420 1148157231 /nfs/dbraw/zinc/15/72/31/1148157231.db2.gz VBIKGOJQEZQBCW-KBPBESRZSA-N 0 3 303.324 2.399 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H]2Cc3ccccc3O2)CCC1 ZINC001326829982 1148261580 /nfs/dbraw/zinc/26/15/80/1148261580.db2.gz CVIODGUPDGVTIH-MRXNPFEDSA-N 0 3 312.413 2.032 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCO[C@H](CC)C2)CCC1 ZINC001326911690 1148288265 /nfs/dbraw/zinc/28/82/65/1148288265.db2.gz 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Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCCO2)c(C#N)c1C ZINC000248562339 282457619 /nfs/dbraw/zinc/45/76/19/282457619.db2.gz CYHDEMOEIBGISC-COPLHBTASA-N 0 3 305.378 2.252 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272663488 210069958 /nfs/dbraw/zinc/06/99/58/210069958.db2.gz IKIDOOZCTXGPAW-LBPRGKRZSA-N 0 3 314.389 2.339 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](N)CC(C)C)cc(OC)c1OC ZINC000237131258 539743235 /nfs/dbraw/zinc/74/32/35/539743235.db2.gz RFEZPOJPSVNKIG-OAHLLOKOSA-N 0 3 320.433 2.422 20 30 DEEDHN C#CCSCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186070693 186238244 /nfs/dbraw/zinc/23/82/44/186238244.db2.gz OIUGLVVNSBRVKV-AWEZNQCLSA-N 0 3 311.472 2.113 20 30 DEEDHN O=c1ccc([C@@H]2OCC[C@H]2NCC#Cc2ccc(F)cc2)c[nH]1 ZINC000625990952 365989637 /nfs/dbraw/zinc/98/96/37/365989637.db2.gz FAAUPZIBYWIBDJ-AEFFLSMTSA-N 0 3 312.344 2.398 20 30 DEEDHN N#Cc1ccc(CCN[C@]2(CO)CCOc3ccccc32)cc1 ZINC000595473911 358458128 /nfs/dbraw/zinc/45/81/28/358458128.db2.gz ZOIKZLCQHUAESD-IBGZPJMESA-N 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RCLHCZFAKVENMJ-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN N#Cc1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1 ZINC000048711242 354355032 /nfs/dbraw/zinc/35/50/32/354355032.db2.gz IRUQBVRMMGMRID-UHFFFAOYSA-N 0 3 308.385 2.080 20 30 DEEDHN CCN(CC)CC(=O)NCCSCc1ccccc1C#N ZINC000052868967 354415105 /nfs/dbraw/zinc/41/51/05/354415105.db2.gz XDDBIGSHBQFPCE-UHFFFAOYSA-N 0 3 305.447 2.249 20 30 DEEDHN CN(C)CCN(C(=O)COc1ccc(C#N)cc1)C1CCCC1 ZINC000053152183 354424283 /nfs/dbraw/zinc/42/42/83/354424283.db2.gz GQZRHMRJPOYEAB-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C)n2C)n1 ZINC000067894577 354784618 /nfs/dbraw/zinc/78/46/18/354784618.db2.gz JMJURUYOGZXKFF-JTQLQIEISA-N 0 3 317.370 2.457 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N1CCC[C@H]1CN1CCCC1 ZINC000066945549 354740575 /nfs/dbraw/zinc/74/05/75/354740575.db2.gz MXDCIHZDOXXXHS-INIZCTEOSA-N 0 3 313.401 2.024 20 30 DEEDHN C=CCc1cc(C(=O)NCCN(C)CC)cc(OC)c1OC ZINC000066958845 354741258 /nfs/dbraw/zinc/74/12/58/354741258.db2.gz GTPKYCRWTNKNNP-UHFFFAOYSA-N 0 3 306.406 2.114 20 30 DEEDHN CC(C)C(=O)NC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000079871963 355333479 /nfs/dbraw/zinc/33/34/79/355333479.db2.gz AZXWXXPUSVFWQJ-UHFFFAOYSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC000081355685 355421441 /nfs/dbraw/zinc/42/14/41/355421441.db2.gz KAFNZGWKZYELSG-HUUCEWRRSA-N 0 3 322.449 2.123 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080959041 355395710 /nfs/dbraw/zinc/39/57/10/355395710.db2.gz YGWXYRCTGIWYNW-OAHLLOKOSA-N 0 3 323.400 2.490 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)C2(C#N)CCCC2)C[C@@H](C)O1 ZINC000083027347 355461606 /nfs/dbraw/zinc/46/16/06/355461606.db2.gz MHLJUKAIPGTFEI-HUUCEWRRSA-N 0 3 307.438 2.076 20 30 DEEDHN N#Cc1cccnc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089643930 355539339 /nfs/dbraw/zinc/53/93/39/355539339.db2.gz JXXKEULORSLFBC-SJORKVTESA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1cccc(OCCCN(CC(N)=O)C2CCCC2)c1 ZINC000129064465 355831808 /nfs/dbraw/zinc/83/18/08/355831808.db2.gz PYEWFVAHFRBGGX-UHFFFAOYSA-N 0 3 301.390 2.057 20 30 DEEDHN COc1cccc(COC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000595609841 358500057 /nfs/dbraw/zinc/50/00/57/358500057.db2.gz PXZQCNFPRVAVOT-RDJZCZTQSA-N 0 3 318.417 2.198 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ccncc1C(N)=O)C(C)C ZINC000180012589 356039760 /nfs/dbraw/zinc/03/97/60/356039760.db2.gz AQHRWLJGHPSCPB-MRXNPFEDSA-N 0 3 302.422 2.291 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000180347791 356048171 /nfs/dbraw/zinc/04/81/71/356048171.db2.gz AGPHZDFSIMVBRG-HNNXBMFYSA-N 0 3 310.486 2.056 20 30 DEEDHN COc1ccccc1COC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595609483 358500984 /nfs/dbraw/zinc/50/09/84/358500984.db2.gz KROQVJSNSSUSPO-DOTOQJQBSA-N 0 3 318.417 2.198 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc(F)cc2)cc1 ZINC000315106312 356422612 /nfs/dbraw/zinc/42/26/12/356422612.db2.gz PEPDDLBESNLFMO-INIZCTEOSA-N 0 3 300.333 2.227 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)COC 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N#Cc1nccc(NC[C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000581499100 357198674 /nfs/dbraw/zinc/19/86/74/357198674.db2.gz SUNDYESMGXDPOP-CYBMUJFWSA-N 0 3 313.430 2.156 20 30 DEEDHN Cc1ccccc1OCCNCc1cnc2c(C#N)cnn2c1 ZINC000584794408 357311623 /nfs/dbraw/zinc/31/16/23/357311623.db2.gz VCJOVDVSPMPKEN-UHFFFAOYSA-N 0 3 307.357 2.078 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000588978470 357437964 /nfs/dbraw/zinc/43/79/64/357437964.db2.gz UFOYFBDTBDWQOP-BMGDILEWSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(C#N)n1)C(C)C ZINC000589297104 357461627 /nfs/dbraw/zinc/46/16/27/357461627.db2.gz VLCUOMBGVXHXBI-KRWDZBQOSA-N 0 3 312.417 2.382 20 30 DEEDHN CC(C)[C@@H](C#N)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000590709362 357589132 /nfs/dbraw/zinc/58/91/32/357589132.db2.gz LXPDAOKLEPRXBX-LJQANCHMSA-N 0 3 314.477 2.284 20 30 DEEDHN CC(C)(CC#N)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000590916052 357642309 /nfs/dbraw/zinc/64/23/09/357642309.db2.gz PMYZVSWGYKMNKD-INIZCTEOSA-N 0 3 314.433 2.350 20 30 DEEDHN CCC[C@H](CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591373993 357716458 /nfs/dbraw/zinc/71/64/58/357716458.db2.gz DLNFTRBRFQOLJN-IAGOWNOFSA-N 0 3 315.417 2.458 20 30 DEEDHN CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OCC ZINC000591591230 357740802 /nfs/dbraw/zinc/74/08/02/357740802.db2.gz HHZVZXDQSNRCDM-CYBMUJFWSA-N 0 3 305.378 2.444 20 30 DEEDHN C[C@@H](CNC(=O)Nc1cccc(C#N)n1)N1CCC(C)CC1 ZINC000592272164 357859175 /nfs/dbraw/zinc/85/91/75/357859175.db2.gz SNDNZOQPTGUTGU-ZDUSSCGKSA-N 0 3 301.394 2.195 20 30 DEEDHN C[C@@H]1C[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000592509857 357890374 /nfs/dbraw/zinc/89/03/74/357890374.db2.gz HWISLPZPOMBCAZ-BTTYYORXSA-N 0 3 313.405 2.284 20 30 DEEDHN C#CCOc1ccc(CN2CCC(C(=O)NCCC)CC2)cc1 ZINC000179921533 199094108 /nfs/dbraw/zinc/09/41/08/199094108.db2.gz XOKJOKXDCOXROG-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000593426906 358075077 /nfs/dbraw/zinc/07/50/77/358075077.db2.gz PNQNPYLDUDCFOL-CYBMUJFWSA-N 0 3 309.360 2.405 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000593564575 358103641 /nfs/dbraw/zinc/10/36/41/358103641.db2.gz VDFOXJGKDJXIAA-CQSZACIVSA-N 0 3 301.390 2.132 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000593508846 358093845 /nfs/dbraw/zinc/09/38/45/358093845.db2.gz WHOSFTRFWHTKCF-CQSZACIVSA-N 0 3 301.390 2.132 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000593990043 358185300 /nfs/dbraw/zinc/18/53/00/358185300.db2.gz WALAOVPWHKVULY-QGTPRVQTSA-N 0 3 311.429 2.432 20 30 DEEDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594004198 358187985 /nfs/dbraw/zinc/18/79/85/358187985.db2.gz XJBSSRWPWLQCEW-ZQYVVYLISA-N 0 3 321.465 2.055 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594196140 358220899 /nfs/dbraw/zinc/22/08/99/358220899.db2.gz LAPUXDZMEVHMMP-HOTGVXAUSA-N 0 3 301.365 2.444 20 30 DEEDHN CCNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594430162 358268020 /nfs/dbraw/zinc/26/80/20/358268020.db2.gz ZNPRMSVFDBBPFP-AWEZNQCLSA-N 0 3 316.405 2.095 20 30 DEEDHN N#Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)cc(N)c1[N+](=O)[O-] ZINC000594604415 358303212 /nfs/dbraw/zinc/30/32/12/358303212.db2.gz ZATPFKYIPQTMBM-HUUCEWRRSA-N 0 3 315.377 2.477 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000595255535 358407173 /nfs/dbraw/zinc/40/71/73/358407173.db2.gz FDLSFRCGLAMLES-NWDGAFQWSA-N 0 3 321.343 2.014 20 30 DEEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCc1ccc(C#N)cc1)CC2 ZINC000595333742 358423485 /nfs/dbraw/zinc/42/34/85/358423485.db2.gz SZUILTWOAIBURJ-MSOLQXFVSA-N 0 3 314.429 2.353 20 30 DEEDHN CN(c1c(C#N)cnn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596146539 358622301 /nfs/dbraw/zinc/62/23/01/358622301.db2.gz CMAXEKUJPVXGER-KRWDZBQOSA-N 0 3 309.417 2.393 20 30 DEEDHN Cc1ccc(C#N)nc1NCc1ccnc(OCCN(C)C)c1 ZINC000596178457 358631294 /nfs/dbraw/zinc/63/12/94/358631294.db2.gz IJCFUVAKIFFPCX-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1cc(C#N)cnn1 ZINC000596181588 358633116 /nfs/dbraw/zinc/63/31/16/358633116.db2.gz IXSZWNAXOTUHSJ-UHFFFAOYSA-N 0 3 322.416 2.486 20 30 DEEDHN N#Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)c[nH]1 ZINC000181200593 199264276 /nfs/dbraw/zinc/26/42/76/199264276.db2.gz YCXMGEVREFHOKI-UHFFFAOYSA-N 0 3 308.385 2.065 20 30 DEEDHN CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H](CC#N)C2)n1 ZINC000596326643 358668308 /nfs/dbraw/zinc/66/83/08/358668308.db2.gz XWUFSJDJHUQNCS-GFCCVEGCSA-N 0 3 317.441 2.066 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H](C)C1 ZINC000488772162 291158233 /nfs/dbraw/zinc/15/82/33/291158233.db2.gz SOTWAFOIQNOPQS-SLEUVZQESA-N 0 3 315.377 2.028 20 30 DEEDHN CN(C)CCn1cc(NC(=O)CC2(C#N)CCCCC2)cn1 ZINC000597044481 358810657 /nfs/dbraw/zinc/81/06/57/358810657.db2.gz YZPATBZJDPAFKA-UHFFFAOYSA-N 0 3 303.410 2.247 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN1 ZINC000598569124 359243759 /nfs/dbraw/zinc/24/37/59/359243759.db2.gz AORNUECYFPNIDO-MRXNPFEDSA-N 0 3 315.417 2.172 20 30 DEEDHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598587400 359251635 /nfs/dbraw/zinc/25/16/35/359251635.db2.gz AAQUKDNEXZQFFC-HUUCEWRRSA-N 0 3 304.438 2.475 20 30 DEEDHN COC(=O)c1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598596235 359255149 /nfs/dbraw/zinc/25/51/49/359255149.db2.gz YBAQBRYRVYGAFE-OAHLLOKOSA-N 0 3 304.390 2.206 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(N2CCCC2)nc1 ZINC000598714945 359303053 /nfs/dbraw/zinc/30/30/53/359303053.db2.gz LDCTXVUTBLESEJ-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN COc1cc2c(cc1CNC[C@@H](O)CC(C)(C)C#N)O[C@@H](C)C2 ZINC000598725352 359306571 /nfs/dbraw/zinc/30/65/71/359306571.db2.gz OEDGKYASUTUXMN-WFASDCNBSA-N 0 3 318.417 2.409 20 30 DEEDHN Cn1cc(CNC[C@@H](O)CC(C)(C)C#N)c(-c2ccccc2)n1 ZINC000598723808 359306709 /nfs/dbraw/zinc/30/67/09/359306709.db2.gz KWNOSMBOHNZZAQ-INIZCTEOSA-N 0 3 312.417 2.477 20 30 DEEDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1CO ZINC000598647943 359274067 /nfs/dbraw/zinc/27/40/67/359274067.db2.gz QJNBMHFNNZEWJY-KBXCAEBGSA-N 0 3 324.428 2.409 20 30 DEEDHN CC(C)[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCS1 ZINC000599303400 359456665 /nfs/dbraw/zinc/45/66/65/359456665.db2.gz OZALMODZJHTZIH-WBVHZDCISA-N 0 3 320.458 2.371 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCSC[C@H]1C1CC1 ZINC000599432796 359495719 /nfs/dbraw/zinc/49/57/19/359495719.db2.gz DDVSZBMGKJGTAO-HOTGVXAUSA-N 0 3 318.442 2.125 20 30 DEEDHN CCC(C#N)(CC)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000599643305 359553751 /nfs/dbraw/zinc/55/37/51/359553751.db2.gz NWKIHIWNQWYPMC-GASCZTMLSA-N 0 3 309.454 2.322 20 30 DEEDHN COC(=O)[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)Cc2ccccc21 ZINC000599684154 359571562 /nfs/dbraw/zinc/57/15/62/359571562.db2.gz UGUOBAPKLVZJCJ-GDBMZVCRSA-N 0 3 316.401 2.060 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2COC[C@H]2c2ccccc2)CC1 ZINC000668370211 540655670 /nfs/dbraw/zinc/65/56/70/540655670.db2.gz QHUASJCHJDHUJA-ROUUACIJSA-N 0 3 314.429 2.183 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nc3cnccc3s2)CC1 ZINC000668370050 540656200 /nfs/dbraw/zinc/65/62/00/540656200.db2.gz LYPAWWLRSNTMJI-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN CCC(O)(CC)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600768215 359824051 /nfs/dbraw/zinc/82/40/51/359824051.db2.gz UPHXDMZFMJBPTD-MRXNPFEDSA-N 0 3 313.401 2.250 20 30 DEEDHN COC(=O)C1(CNCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000188681550 200286980 /nfs/dbraw/zinc/28/69/80/200286980.db2.gz OWXKKCRWIWZJQU-UHFFFAOYSA-N 0 3 324.384 2.002 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([C@H]2CCCO2)CC1 ZINC000189213253 200364977 /nfs/dbraw/zinc/36/49/77/200364977.db2.gz SXVWWHSBPPJMIP-NVXWUHKLSA-N 0 3 306.450 2.467 20 30 DEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(Cl)cc1C#N ZINC000189416604 200397662 /nfs/dbraw/zinc/39/76/62/200397662.db2.gz NKZRECSLSBERBK-CYBMUJFWSA-N 0 3 321.852 2.489 20 30 DEEDHN Cc1ncc([C@H](C)NC[C@H](O)COc2ccccc2C#N)s1 ZINC000601968910 360213092 /nfs/dbraw/zinc/21/30/92/360213092.db2.gz OKPWWANHHIMRIU-FZMZJTMJSA-N 0 3 317.414 2.414 20 30 DEEDHN Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)C#N)C2)cc1 ZINC000602289055 360331883 /nfs/dbraw/zinc/33/18/83/360331883.db2.gz ZPWPUTWRNUJPPA-HOCLYGCPSA-N 0 3 300.406 2.028 20 30 DEEDHN N#Cc1ccnc(N2CCN(CC3CCSCC3)CC2)c1 ZINC000602436521 360372097 /nfs/dbraw/zinc/37/20/97/360372097.db2.gz PNFBCVVDTQQQHE-UHFFFAOYSA-N 0 3 302.447 2.218 20 30 DEEDHN CC(=O)Nc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602638420 360471566 /nfs/dbraw/zinc/47/15/66/360471566.db2.gz CSDOMHLQQLBGNE-CYBMUJFWSA-N 0 3 316.405 2.229 20 30 DEEDHN CSC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602918340 360625935 /nfs/dbraw/zinc/62/59/35/360625935.db2.gz CPCMXTXHQIKULI-HNNXBMFYSA-N 0 3 320.458 2.320 20 30 DEEDHN COCc1cc(C#N)ccc1N1CCN(c2ccncc2)CC1 ZINC000603276469 360774067 /nfs/dbraw/zinc/77/40/67/360774067.db2.gz ZMAXOHKQNNQVRC-UHFFFAOYSA-N 0 3 308.385 2.426 20 30 DEEDHN N#Cc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)c(F)c1 ZINC000603847901 360865437 /nfs/dbraw/zinc/86/54/37/360865437.db2.gz BKICQZXOMGKTRI-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN CN1CC[C@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000609574060 361322571 /nfs/dbraw/zinc/32/25/71/361322571.db2.gz KNOCUXDIROTEBT-WCQYABFASA-N 0 3 311.307 2.338 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2ncc(C#N)cc2Cl)CC1 ZINC000609631836 361330778 /nfs/dbraw/zinc/33/07/78/361330778.db2.gz YOPXEHVDUAAROA-LBPRGKRZSA-N 0 3 307.829 2.045 20 30 DEEDHN CCN(C[C@H]1CCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619364551 363773176 /nfs/dbraw/zinc/77/31/76/363773176.db2.gz IQXPZCUBEJDWBI-SJORKVTESA-N 0 3 311.385 2.126 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000610404758 361395189 /nfs/dbraw/zinc/39/51/89/361395189.db2.gz ZMHLLVCXDQYWJE-WWGRRREGSA-N 0 3 300.406 2.401 20 30 DEEDHN COc1cc(F)c([C@H](C)NC2CCN(CC#N)CC2)cc1OC ZINC000610813883 361471047 /nfs/dbraw/zinc/47/10/47/361471047.db2.gz VIDHKZNESUGMTN-LBPRGKRZSA-N 0 3 321.396 2.481 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1cc2c(nn1)CCC2 ZINC000610734558 361455251 /nfs/dbraw/zinc/45/52/51/361455251.db2.gz QUOMNEMLYMNEEE-UHFFFAOYSA-N 0 3 321.428 2.405 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000611034413 361516971 /nfs/dbraw/zinc/51/69/71/361516971.db2.gz UWXXWNJXIYRRDF-MRXNPFEDSA-N 0 3 308.385 2.233 20 30 DEEDHN Cn1c(CNC2CCN(CC#N)CC2)nc2cc(Cl)ccc21 ZINC000611038787 361517182 /nfs/dbraw/zinc/51/71/82/361517182.db2.gz MKCFWHNMFCQYAU-UHFFFAOYSA-N 0 3 317.824 2.304 20 30 DEEDHN N#Cc1c[nH]c(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000611197516 361546540 /nfs/dbraw/zinc/54/65/40/361546540.db2.gz JXARLRIZKLPCHI-UHFFFAOYSA-N 0 3 324.384 2.095 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000611205209 361548793 /nfs/dbraw/zinc/54/87/93/361548793.db2.gz NXIRUHXOJOOZFD-KGLIPLIRSA-N 0 3 301.390 2.244 20 30 DEEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000611376852 361587919 /nfs/dbraw/zinc/58/79/19/361587919.db2.gz CWLYFLPJDIPLBJ-CYBMUJFWSA-N 0 3 304.357 2.385 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000673322414 541101187 /nfs/dbraw/zinc/10/11/87/541101187.db2.gz LAHYCGPTUMDLEG-RDJZCZTQSA-N 0 3 302.418 2.358 20 30 DEEDHN Cc1ccccc1CN1CCCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000611634675 361650106 /nfs/dbraw/zinc/65/01/06/361650106.db2.gz CWLUHMXSAKLUAQ-OAHLLOKOSA-N 0 3 314.433 2.372 20 30 DEEDHN C=CCCC(C)(C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000620857881 364180601 /nfs/dbraw/zinc/18/06/01/364180601.db2.gz MVMJWZHOKXKOCP-UHFFFAOYSA-N 0 3 305.422 2.497 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](O)C(C)(C)C1 ZINC000275388228 212303196 /nfs/dbraw/zinc/30/31/96/212303196.db2.gz CHENFLLSMUKGEE-MRXNPFEDSA-N 0 3 304.390 2.038 20 30 DEEDHN CC[C@H](C)CN(CC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091589314 193076734 /nfs/dbraw/zinc/07/67/34/193076734.db2.gz HTPXWFOAQRRPBZ-IRXDYDNUSA-N 0 3 322.497 2.047 20 30 DEEDHN COCC#CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000677475825 541593594 /nfs/dbraw/zinc/59/35/94/541593594.db2.gz FVNKWYBVZAILRF-UHFFFAOYSA-N 0 3 306.837 2.498 20 30 DEEDHN C=CCC[C@@H](NCC(=O)N(C)CC(=O)OCC)c1ccccc1 ZINC000271752805 209182242 /nfs/dbraw/zinc/18/22/42/209182242.db2.gz TWXLOCPZYKYOQT-MRXNPFEDSA-N 0 3 318.417 2.305 20 30 DEEDHN C[C@H]1CN(C(=O)Cc2c(F)cccc2C#N)CCN(C2CC2)C1 ZINC000452173566 244010309 /nfs/dbraw/zinc/01/03/09/244010309.db2.gz NIJQNCFMUPGQJI-CYBMUJFWSA-N 0 3 315.392 2.183 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CCCN(C(C)C)CC1 ZINC000453427907 245135841 /nfs/dbraw/zinc/13/58/41/245135841.db2.gz YYNUDUXVRLWQKY-UHFFFAOYSA-N 0 3 303.454 2.337 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453454613 245147394 /nfs/dbraw/zinc/14/73/94/245147394.db2.gz QKFLCHXXCOJVBD-OAHLLOKOSA-N 0 3 321.469 2.311 20 30 DEEDHN C[C@@]1(CNCc2cccc(OCCCC#N)c2)CCC(=O)N1 ZINC000453592735 245202253 /nfs/dbraw/zinc/20/22/53/245202253.db2.gz TZDYUYTXYCXPRJ-KRWDZBQOSA-N 0 3 301.390 2.127 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1 ZINC000288348579 220099663 /nfs/dbraw/zinc/09/96/63/220099663.db2.gz TVSDMAJHQKNZBM-GUYCJALGSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(COC)on1)C(C)C ZINC000266303157 205250860 /nfs/dbraw/zinc/25/08/60/205250860.db2.gz LJVIZGJCHQXDBT-INIZCTEOSA-N 0 3 321.421 2.249 20 30 DEEDHN N#Cc1ccc(Cl)cc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000267409540 206048095 /nfs/dbraw/zinc/04/80/95/206048095.db2.gz RLZZHRRQEKEYKE-CYBMUJFWSA-N 0 3 305.809 2.370 20 30 DEEDHN CN(C)CC1(NC(=O)/C=C\c2ccc(OCC#N)cc2)CCC1 ZINC000492569669 249091958 /nfs/dbraw/zinc/09/19/58/249091958.db2.gz VKCWWEOMMQHWJL-TWGQIWQCSA-N 0 3 313.401 2.203 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2OCC#N)CC1 ZINC000106034137 194181002 /nfs/dbraw/zinc/18/10/02/194181002.db2.gz YCYYDJIRTUGQNI-UHFFFAOYSA-N 0 3 313.401 2.359 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cscn2)CC1 ZINC000106274919 194193713 /nfs/dbraw/zinc/19/37/13/194193713.db2.gz MVGXRSKTGINLTF-UHFFFAOYSA-N 0 3 308.451 2.325 20 30 DEEDHN COC(=O)c1cccc(CN2CCN(CC(C)C)CC2)c1C#N ZINC000535226467 284887021 /nfs/dbraw/zinc/88/70/21/284887021.db2.gz OVKNXUDRMPQDMK-UHFFFAOYSA-N 0 3 315.417 2.118 20 30 DEEDHN C=CCCS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000119871789 195053904 /nfs/dbraw/zinc/05/39/04/195053904.db2.gz KRJYVFWAEIBTQH-OKILXGFUSA-N 0 3 302.484 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C(C)C ZINC000270062826 208121077 /nfs/dbraw/zinc/12/10/77/208121077.db2.gz PJHCYWQYHVXQMQ-SJLPKXTDSA-N 0 3 308.466 2.352 20 30 DEEDHN C=CCCOCCNC(=O)NCCCN(C)Cc1ccccc1 ZINC000270224539 208290134 /nfs/dbraw/zinc/29/01/34/208290134.db2.gz PZEGQEHLPIUOMC-UHFFFAOYSA-N 0 3 319.449 2.400 20 30 DEEDHN CN1C[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000539801991 285092103 /nfs/dbraw/zinc/09/21/03/285092103.db2.gz FHHLPPLNNUYMFR-OALUTQOASA-N 0 3 319.408 2.315 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264539863 533120485 /nfs/dbraw/zinc/12/04/85/533120485.db2.gz AKIDIDVMWMMRGN-AMRJIULGSA-N 0 3 315.417 2.367 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000155068175 197018376 /nfs/dbraw/zinc/01/83/76/197018376.db2.gz CBRVKWJXJOBRKU-LLVKDONJSA-N 0 3 307.344 2.250 20 30 DEEDHN COC(=O)c1cccc(CN[C@H](C)[C@H]2CCCOC2)c1C#N ZINC000542577693 285234790 /nfs/dbraw/zinc/23/47/90/285234790.db2.gz QWAOZKYTHQVJQB-OCCSQVGLSA-N 0 3 302.374 2.250 20 30 DEEDHN CC[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289995012 221366909 /nfs/dbraw/zinc/36/69/09/221366909.db2.gz RJYHJWOVTXTCGO-CABCVRRESA-N 0 3 321.446 2.285 20 30 DEEDHN C[C@H](CC#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194630100 533614987 /nfs/dbraw/zinc/61/49/87/533614987.db2.gz ZLPHRRAOECDVAT-HIFRSBDPSA-N 0 3 303.381 2.456 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCCOC1 ZINC000355345916 133019563 /nfs/dbraw/zinc/01/95/63/133019563.db2.gz NIQMBBHZQKOABG-VNHYZAJKSA-N 0 3 301.390 2.290 20 30 DEEDHN Cc1c([C@@H]2OCC[C@H]2NCc2ccc(C#N)c(F)c2)cnn1C ZINC000361849879 133195710 /nfs/dbraw/zinc/19/57/10/133195710.db2.gz OFFYESRCAQKVIV-SJORKVTESA-N 0 3 314.364 2.359 20 30 DEEDHN CC(C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(F)(F)F ZINC000362324694 133224157 /nfs/dbraw/zinc/22/41/57/133224157.db2.gz MGPLJSCXEMZGRI-MRVPVSSYSA-N 0 3 309.251 2.276 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000372589518 133360209 /nfs/dbraw/zinc/36/02/09/133360209.db2.gz PPTQVGZVZIXNCH-BWTSREIZSA-N 0 3 317.392 2.418 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2n(n1)CCCO2 ZINC000329873353 404478210 /nfs/dbraw/zinc/47/82/10/404478210.db2.gz CBZZLWHBVGQEMG-MJBXVCDLSA-N 0 3 320.437 2.337 20 30 DEEDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000564734983 292108110 /nfs/dbraw/zinc/10/81/10/292108110.db2.gz HYGFPHTUJGCOPE-IBGZPJMESA-N 0 3 321.380 2.270 20 30 DEEDHN C[C@@H]1[C@H](CO)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000414020583 404481402 /nfs/dbraw/zinc/48/14/02/404481402.db2.gz DTNFFVVCTKURHR-OIISXLGYSA-N 0 3 300.402 2.378 20 30 DEEDHN N#Cc1cc2c(nc1NC1CCN([C@H]3CCOC3)CC1)CCC2 ZINC000371135871 148066210 /nfs/dbraw/zinc/06/62/10/148066210.db2.gz HKMHBLCBOJVESP-INIZCTEOSA-N 0 3 312.417 2.107 20 30 DEEDHN C=CC1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000111259594 401705230 /nfs/dbraw/zinc/70/52/30/401705230.db2.gz YYBPWXITRJCYBT-MRXNPFEDSA-N 0 3 319.401 2.111 20 30 DEEDHN CO/N=C(/C(=O)N(CCN(C)C)c1ccccc1)c1ccco1 ZINC000073127353 401716342 /nfs/dbraw/zinc/71/63/42/401716342.db2.gz JQURTXFAACOIIO-FBMGVBCBSA-N 0 3 315.373 2.225 20 30 DEEDHN COC[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000112986841 401764038 /nfs/dbraw/zinc/76/40/38/401764038.db2.gz IPKIMRCGRBPELQ-GFCCVEGCSA-N 0 3 307.419 2.307 20 30 DEEDHN C=CCC[C@@H](O)CN(C)CCN1CCN(c2ccccc2)CC1 ZINC000130254444 401824762 /nfs/dbraw/zinc/82/47/62/401824762.db2.gz PJRDWTNYZHRDQD-LJQANCHMSA-N 0 3 317.477 2.068 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccccc2F)CC1 ZINC000080751938 401892212 /nfs/dbraw/zinc/89/22/12/401892212.db2.gz ZGRUZZMRRQVCNX-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN COc1cc(OC)cc([C@@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000118450549 401899246 /nfs/dbraw/zinc/89/92/46/401899246.db2.gz IIUVAJUNFDGIJY-SFHVURJKSA-N 0 3 312.369 2.399 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](CCC)C2)CC1 ZINC000119051818 401921810 /nfs/dbraw/zinc/92/18/10/401921810.db2.gz XTCAQNSHEULSMP-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2nc[nH]c21)C(C)C ZINC000047510686 401983409 /nfs/dbraw/zinc/98/34/09/401983409.db2.gz KLWPJMDRHGACPY-ZDUSSCGKSA-N 0 3 300.410 2.463 20 30 DEEDHN COc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1C#N ZINC000119432887 401949732 /nfs/dbraw/zinc/94/97/32/401949732.db2.gz MEUVDWWFJDBWDM-HNNXBMFYSA-N 0 3 311.389 2.071 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(OCCOC)CC1 ZINC000093339598 402014443 /nfs/dbraw/zinc/01/44/43/402014443.db2.gz KCHVQAYUCQOBSP-UHFFFAOYSA-N 0 3 303.402 2.326 20 30 DEEDHN CNC(=O)[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000093360734 402015006 /nfs/dbraw/zinc/01/50/06/402015006.db2.gz BFVKZSZYNPPXQV-MRXNPFEDSA-N 0 3 315.417 2.327 20 30 DEEDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000049969592 402023377 /nfs/dbraw/zinc/02/33/77/402023377.db2.gz VJIAVPSDCHRZPZ-OAHLLOKOSA-N 0 3 314.433 2.159 20 30 DEEDHN C#CCOCCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000151794761 402056943 /nfs/dbraw/zinc/05/69/43/402056943.db2.gz QKCGWHKSNDWESJ-UHFFFAOYSA-N 0 3 314.429 2.149 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120742668 402000473 /nfs/dbraw/zinc/00/04/73/402000473.db2.gz ITTUKONSEGYWJX-MRXNPFEDSA-N 0 3 315.417 2.305 20 30 DEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cn1 ZINC000097261709 402120758 /nfs/dbraw/zinc/12/07/58/402120758.db2.gz ZRSIPGSKRBFXHS-LBPRGKRZSA-N 0 3 306.325 2.467 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)c(OCC)c2)CC1 ZINC000057175113 402092701 /nfs/dbraw/zinc/09/27/01/402092701.db2.gz CHHYYEVMSAOVHC-UHFFFAOYSA-N 0 3 316.401 2.378 20 30 DEEDHN CN(Cc1cccc(C#N)c1)CC(C)(C)CN1CCOCC1 ZINC000123682015 402141595 /nfs/dbraw/zinc/14/15/95/402141595.db2.gz JIEKARDRFXJLNR-UHFFFAOYSA-N 0 3 301.434 2.348 20 30 DEEDHN CS[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310249 402192839 /nfs/dbraw/zinc/19/28/39/402192839.db2.gz QDDACDOKQNYIFV-CYBMUJFWSA-N 0 3 305.447 2.200 20 30 DEEDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000124061399 402161734 /nfs/dbraw/zinc/16/17/34/402161734.db2.gz SEPQHWRHDWYFHH-UHFFFAOYSA-N 0 3 315.826 2.007 20 30 DEEDHN N#Cc1cccc(OC2CCN(CCC3OCCO3)CC2)c1 ZINC000124151042 402166231 /nfs/dbraw/zinc/16/62/31/402166231.db2.gz SRBUEEZEGUIBSP-UHFFFAOYSA-N 0 3 302.374 2.164 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCCOCC2CC2)CC1 ZINC000106329411 402213485 /nfs/dbraw/zinc/21/34/85/402213485.db2.gz GACHZZCOFUZCRZ-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN CC#CCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000155330954 402252384 /nfs/dbraw/zinc/25/23/84/402252384.db2.gz GLCRSKXRNJMURS-HNNXBMFYSA-N 0 3 300.402 2.397 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COCCc2ccccc2)CC1 ZINC000106035606 402211993 /nfs/dbraw/zinc/21/19/93/402211993.db2.gz FNSACWOTNRCOQW-UHFFFAOYSA-N 0 3 316.445 2.402 20 30 DEEDHN CCN(Cc1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1)C1CC1 ZINC000106046000 402212033 /nfs/dbraw/zinc/21/20/33/402212033.db2.gz FWWHMHFWIAEYEH-KRWDZBQOSA-N 0 3 313.401 2.035 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N1CCc2ccccc2C1 ZINC000156872653 402289478 /nfs/dbraw/zinc/28/94/78/402289478.db2.gz WAMPDWLEIPOMRY-KRWDZBQOSA-N 0 3 322.412 2.453 20 30 DEEDHN CC#CCCN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000158036914 402301182 /nfs/dbraw/zinc/30/11/82/402301182.db2.gz GNTFCXOHKXVGKP-HUUCEWRRSA-N 0 3 310.438 2.404 20 30 DEEDHN CC[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000229444414 402343536 /nfs/dbraw/zinc/34/35/36/402343536.db2.gz YXCCDEKXSQBOCB-GDBMZVCRSA-N 0 3 306.431 2.125 20 30 DEEDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000227598983 402332802 /nfs/dbraw/zinc/33/28/02/402332802.db2.gz NUMNARKQNHDKJK-VNHYZAJKSA-N 0 3 306.431 2.124 20 30 DEEDHN C#CCC(C)(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000185192590 402333067 /nfs/dbraw/zinc/33/30/67/402333067.db2.gz RVHAZHZUQRNIOE-UHFFFAOYSA-N 0 3 302.418 2.293 20 30 DEEDHN C=CCc1cc(CNC[C@@]2(O)CCSC2)cc(OC)c1O ZINC000176760582 402334196 /nfs/dbraw/zinc/33/41/96/402334196.db2.gz CIMBYVVJHJLBTF-INIZCTEOSA-N 0 3 309.431 2.087 20 30 DEEDHN CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000186464644 402433338 /nfs/dbraw/zinc/43/33/38/402433338.db2.gz FUAIFLGUJHLGKN-UKRRQHHQSA-N 0 3 317.389 2.470 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1 ZINC000162851431 402434176 /nfs/dbraw/zinc/43/41/76/402434176.db2.gz CTJRKDDOYPTWPX-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CSc1ccc(C#N)cc1 ZINC000247357506 402565097 /nfs/dbraw/zinc/56/50/97/402565097.db2.gz JZSPSPRTEJEEOT-XJKSGUPXSA-N 0 3 317.458 2.449 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000178667096 402524298 /nfs/dbraw/zinc/52/42/98/402524298.db2.gz XFGHODCLSPPTEI-SJLPKXTDSA-N 0 3 323.481 2.267 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CCCOC1 ZINC000246321550 402524834 /nfs/dbraw/zinc/52/48/34/402524834.db2.gz IHNZAEDIVLTYMH-DZGCQCFKSA-N 0 3 301.390 2.244 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)cc1F ZINC000246349975 402526526 /nfs/dbraw/zinc/52/65/26/402526526.db2.gz PCKWNCDWZFSXPY-BLLLJJGKSA-N 0 3 318.396 2.179 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000178794885 402540427 /nfs/dbraw/zinc/54/04/27/402540427.db2.gz MHFHOPKZSRIIBA-QGZVFWFLSA-N 0 3 300.402 2.067 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC000171565912 402595004 /nfs/dbraw/zinc/59/50/04/402595004.db2.gz PCLZUYSKRFWWCA-SFHVURJKSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccccc2OC)CC1 ZINC000171699976 402611852 /nfs/dbraw/zinc/61/18/52/402611852.db2.gz KGINTFPZLLVHKB-UHFFFAOYSA-N 0 3 317.433 2.187 20 30 DEEDHN C=CCN1CCC(NC(=O)CSC[C@H]2CCCCO2)CC1 ZINC000171715219 402613735 /nfs/dbraw/zinc/61/37/35/402613735.db2.gz QPVAVWSLMUFBBH-OAHLLOKOSA-N 0 3 312.479 2.055 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000171716906 402613911 /nfs/dbraw/zinc/61/39/11/402613911.db2.gz DLYLIUGKZFKFAL-QGZVFWFLSA-N 0 3 301.434 2.056 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000171721265 402614522 /nfs/dbraw/zinc/61/45/22/402614522.db2.gz SSMPHIYCFZYKBC-UHFFFAOYSA-N 0 3 318.446 2.323 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccncc2)CC1 ZINC000171737800 402616844 /nfs/dbraw/zinc/61/68/44/402616844.db2.gz TWMCKKSZXHHXBV-AWEZNQCLSA-N 0 3 302.422 2.434 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000171739602 402616966 /nfs/dbraw/zinc/61/69/66/402616966.db2.gz WSMHYASXTUALBO-UHFFFAOYSA-N 0 3 312.417 2.350 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000171740664 402617562 /nfs/dbraw/zinc/61/75/62/402617562.db2.gz SSSLJRBRDNZSMT-HNNXBMFYSA-N 0 3 317.437 2.297 20 30 DEEDHN N#CCCCCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000171759072 402619224 /nfs/dbraw/zinc/61/92/24/402619224.db2.gz HDFROLOSYCBPPJ-LBPRGKRZSA-N 0 3 310.195 2.259 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)CC(C)(C)C)CC1 ZINC000172289706 402648590 /nfs/dbraw/zinc/64/85/90/402648590.db2.gz CBYWMXZCBXQMRP-HNNXBMFYSA-N 0 3 311.470 2.123 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000172621126 402666739 /nfs/dbraw/zinc/66/67/39/402666739.db2.gz TYXHGPNRCBHSMH-UHFFFAOYSA-N 0 3 301.434 2.128 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)cc1 ZINC000192244192 402719237 /nfs/dbraw/zinc/71/92/37/402719237.db2.gz NBPIIRRPUQVGLG-QGZVFWFLSA-N 0 3 321.380 2.155 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000255663517 402693901 /nfs/dbraw/zinc/69/39/01/402693901.db2.gz YFKLUVQNWDEDNI-HWYHOQROSA-N 0 3 313.401 2.060 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN[C@@H](CO)c2ccccc2)cc1 ZINC000182905963 402725719 /nfs/dbraw/zinc/72/57/19/402725719.db2.gz GCMFBWXMZZKMTI-KRWDZBQOSA-N 0 3 309.369 2.210 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000174777273 402756657 /nfs/dbraw/zinc/75/66/57/402756657.db2.gz QPEOAAPGUXNWCT-YOEHRIQHSA-N 0 3 309.454 2.140 20 30 DEEDHN C#CCN1CCC(C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000194053461 402782552 /nfs/dbraw/zinc/78/25/52/402782552.db2.gz MBTHAVZSJDCNGM-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CC1([C@H]2CCCN(CCOc3ccccc3C#N)C2)OCCO1 ZINC000183912038 402804729 /nfs/dbraw/zinc/80/47/29/402804729.db2.gz MFCDXAVFMJIZDV-INIZCTEOSA-N 0 3 316.401 2.412 20 30 DEEDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(C#N)cc2)c1 ZINC000263844525 402811394 /nfs/dbraw/zinc/81/13/94/402811394.db2.gz BWMULYBBMRJHBD-UHFFFAOYSA-N 0 3 322.412 2.462 20 30 DEEDHN C=CCOc1cccc(NC(=O)CCN2CCN(CC)CC2)c1 ZINC000263668928 402788535 /nfs/dbraw/zinc/78/85/35/402788535.db2.gz KMORMYPBASLXHP-UHFFFAOYSA-N 0 3 317.433 2.218 20 30 DEEDHN C=CCOc1ccc(CNC[C@@](C)(O)CCOC)cc1OC ZINC000265249304 402904705 /nfs/dbraw/zinc/90/47/05/402904705.db2.gz NWAMFBXVCRUZSJ-KRWDZBQOSA-N 0 3 309.406 2.137 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOc2ccccc2F)CC1 ZINC000264401554 402875183 /nfs/dbraw/zinc/87/51/83/402875183.db2.gz MIXDDGKEQRMMQL-UHFFFAOYSA-N 0 3 321.396 2.154 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3OC)CC2)CC1 ZINC000264490450 402883696 /nfs/dbraw/zinc/88/36/96/402883696.db2.gz NVTOIPJMLGLJKF-UHFFFAOYSA-N 0 3 314.429 2.493 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc(C#N)cc1 ZINC000272136667 402901905 /nfs/dbraw/zinc/90/19/05/402901905.db2.gz CRRKJCNFDRATLQ-CQSZACIVSA-N 0 3 315.417 2.126 20 30 DEEDHN CC1(C)C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000280145830 402968902 /nfs/dbraw/zinc/96/89/02/402968902.db2.gz RHMLUKVSGGVODN-HOTGVXAUSA-N 0 3 311.385 2.314 20 30 DEEDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)Nc1ccccc1C#N ZINC000279247218 402921773 /nfs/dbraw/zinc/92/17/73/402921773.db2.gz KVAPBSDXSMWKNF-GUTXKFCHSA-N 0 3 301.390 2.026 20 30 DEEDHN COc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1OCCO ZINC000274180842 403032837 /nfs/dbraw/zinc/03/28/37/403032837.db2.gz FKLVCSKUJNRXTI-HIFRSBDPSA-N 0 3 304.390 2.238 20 30 DEEDHN COc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1OCCO ZINC000274180840 403032895 /nfs/dbraw/zinc/03/28/95/403032895.db2.gz FKLVCSKUJNRXTI-DZGCQCFKSA-N 0 3 304.390 2.238 20 30 DEEDHN CC(C)N1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280947144 403053171 /nfs/dbraw/zinc/05/31/71/403053171.db2.gz QCTIBMTXMUOLMW-SFHVURJKSA-N 0 3 324.428 2.183 20 30 DEEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(-n3cccn3)c2)C1=O ZINC000280953679 403053647 /nfs/dbraw/zinc/05/36/47/403053647.db2.gz GMRRUXGWHOBVIC-WMLDXEAASA-N 0 3 310.401 2.310 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CCCOCc1ccccc1 ZINC000281292556 403062610 /nfs/dbraw/zinc/06/26/10/403062610.db2.gz HKKTYQKVFIVGED-MRXNPFEDSA-N 0 3 317.433 2.286 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCc2ccccc2OC)C1=O ZINC000281375370 403066979 /nfs/dbraw/zinc/06/69/79/403066979.db2.gz OUDWYTZQNSLBLY-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000274686681 403078310 /nfs/dbraw/zinc/07/83/10/403078310.db2.gz YQUMHPMEXSQIDY-KRWDZBQOSA-N 0 3 301.434 2.056 20 30 DEEDHN CCC[C@H](CCO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281748549 403087962 /nfs/dbraw/zinc/08/79/62/403087962.db2.gz YERICSSEZQDEPU-IAGOWNOFSA-N 0 3 313.401 2.155 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCC#N ZINC000274163867 403031851 /nfs/dbraw/zinc/03/18/51/403031851.db2.gz IQDNBADUVLYVHC-HOCLYGCPSA-N 0 3 300.406 2.110 20 30 DEEDHN CN(CCC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268627601 403100460 /nfs/dbraw/zinc/10/04/60/403100460.db2.gz BFFZZLUFSXVKHL-HNNXBMFYSA-N 0 3 304.390 2.255 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCO[C@@H]2C(=C)C)CC1 ZINC000281848809 403097611 /nfs/dbraw/zinc/09/76/11/403097611.db2.gz RDIQLNZLZZCXJI-DOTOQJQBSA-N 0 3 321.465 2.307 20 30 DEEDHN COc1cc(CN2CCC[C@H](Cn3ccnn3)C2)ccc1C#N ZINC000282190014 403130881 /nfs/dbraw/zinc/13/08/81/403130881.db2.gz GDTMXKURIJCHLN-HNNXBMFYSA-N 0 3 311.389 2.071 20 30 DEEDHN COc1cc(CN(C)CCN2CCOC(C)(C)C2)ccc1C#N ZINC000282286932 403140293 /nfs/dbraw/zinc/14/02/93/403140293.db2.gz LJYKNZRJZULMAD-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCCn1ccnc1C ZINC000270982764 403249236 /nfs/dbraw/zinc/24/92/36/403249236.db2.gz GPQHKNSHZNLDPT-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(CCC(N)=O)CC1 ZINC000271185314 403275161 /nfs/dbraw/zinc/27/51/61/403275161.db2.gz JDKXJVIXIGMRCJ-UHFFFAOYSA-N 0 3 300.402 2.176 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCOC[C@H](C2CCC2)C1 ZINC000292133445 403302464 /nfs/dbraw/zinc/30/24/64/403302464.db2.gz LOMUNOFSPKWJFD-NVXWUHKLSA-N 0 3 306.450 2.324 20 30 DEEDHN CC(C)CC[C@@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292233633 403328507 /nfs/dbraw/zinc/32/85/07/403328507.db2.gz PRLBLCGISKCSQW-HZPDHXFCSA-N 0 3 303.406 2.203 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc(C#N)s1 ZINC000342852282 403372297 /nfs/dbraw/zinc/37/22/97/403372297.db2.gz JORLPABQSLPATH-UONOGXRCSA-N 0 3 302.403 2.456 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1 ZINC000285850473 403394626 /nfs/dbraw/zinc/39/46/26/403394626.db2.gz PFXKNTCWYBGCSN-NVXWUHKLSA-N 0 3 312.413 2.397 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293133333 403397109 /nfs/dbraw/zinc/39/71/09/403397109.db2.gz JERZONDKMLAEMQ-CXAGYDPISA-N 0 3 314.433 2.036 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c[nH]1 ZINC000293143714 403400153 /nfs/dbraw/zinc/40/01/53/403400153.db2.gz DBXZBTMCLPKFQS-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN CC(C#N)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000331548969 403414111 /nfs/dbraw/zinc/41/41/11/403414111.db2.gz MDPFNCFQVGEPFX-PWSUYJOCSA-N 0 3 301.371 2.356 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000298691292 403440587 /nfs/dbraw/zinc/44/05/87/403440587.db2.gz ONQZXTSSZSMJGW-WBVHZDCISA-N 0 3 314.433 2.452 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CC1 ZINC000345747057 403467006 /nfs/dbraw/zinc/46/70/06/403467006.db2.gz AZCDUQLDJQCICF-HOTGVXAUSA-N 0 3 322.497 2.151 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000345753594 403470351 /nfs/dbraw/zinc/47/03/51/403470351.db2.gz BTIHTPHEXQBPNX-GFCCVEGCSA-N 0 3 308.341 2.110 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000343148916 403476827 /nfs/dbraw/zinc/47/68/27/403476827.db2.gz YBPQQEDMAUORTM-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000345797011 403488553 /nfs/dbraw/zinc/48/85/53/403488553.db2.gz WWPCDCBXHKHJKX-RKDXNWHRSA-N 0 3 317.172 2.009 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccc(C#N)cc1 ZINC000299108932 403523423 /nfs/dbraw/zinc/52/34/23/403523423.db2.gz XGCXQXQGRHYEGF-CABCVRRESA-N 0 3 315.417 2.174 20 30 DEEDHN CCN1CCCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000286638629 403536536 /nfs/dbraw/zinc/53/65/36/403536536.db2.gz DCYDJWVPAFOTCW-UHFFFAOYSA-N 0 3 303.797 2.391 20 30 DEEDHN CNC(=O)CC[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000286365606 403509072 /nfs/dbraw/zinc/50/90/72/403509072.db2.gz HTDSKADJYCCAAM-INIZCTEOSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000346307847 403584270 /nfs/dbraw/zinc/58/42/70/403584270.db2.gz DWROIWDXLJZKSQ-SFHVURJKSA-N 0 3 300.402 2.419 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000332547798 403590662 /nfs/dbraw/zinc/59/06/62/403590662.db2.gz DFKKOEAKIUMUBT-NXOAAHMSSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(Cl)c1OCC ZINC000293958748 403610069 /nfs/dbraw/zinc/61/00/69/403610069.db2.gz KTYKGPYLBBDMAH-UHFFFAOYSA-N 0 3 322.836 2.353 20 30 DEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)C#Cc2ccccc2)cc1 ZINC000285994252 286356415 /nfs/dbraw/zinc/35/64/15/286356415.db2.gz IHJWNSMHSWJWHN-LJQANCHMSA-N 0 3 322.408 2.466 20 30 DEEDHN CN1CCC[C@H](N2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000301296923 403612388 /nfs/dbraw/zinc/61/23/88/403612388.db2.gz YGYPBGYINMHCTI-INIZCTEOSA-N 0 3 318.852 2.428 20 30 DEEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000347107183 403616644 /nfs/dbraw/zinc/61/66/44/403616644.db2.gz MOSMUOHYCKSBOZ-LLVKDONJSA-N 0 3 303.337 2.162 20 30 DEEDHN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)C(C)C#N ZINC000347106943 403616737 /nfs/dbraw/zinc/61/67/37/403616737.db2.gz JKVLQAQEFJOGNC-JSGCOSHPSA-N 0 3 315.373 2.093 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccnc1SC(F)F ZINC000294046607 403633959 /nfs/dbraw/zinc/63/39/59/403633959.db2.gz TVNNQQPVUDSWHU-UHFFFAOYSA-N 0 3 313.373 2.081 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1c[nH]c2c1cccc2C ZINC000294064014 403637740 /nfs/dbraw/zinc/63/77/40/403637740.db2.gz VEKUQJUOTCVXCD-UHFFFAOYSA-N 0 3 311.429 2.480 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000343604482 403658907 /nfs/dbraw/zinc/65/89/07/403658907.db2.gz ZSQVIKUQMZMHFT-BBRMVZONSA-N 0 3 315.417 2.436 20 30 DEEDHN CCCN1CCC[C@@H]1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000343613022 403663728 /nfs/dbraw/zinc/66/37/28/403663728.db2.gz QKXBFRFSAYWAFD-GFCCVEGCSA-N 0 3 307.344 2.441 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N(CCO)Cc1cccnc1 ZINC000343863508 403765036 /nfs/dbraw/zinc/76/50/36/403765036.db2.gz PTCBWSZNWJVWAQ-GOSISDBHSA-N 0 3 323.396 2.175 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N(CC)C[C@H](C)C#N)C12CCCC2 ZINC000450971093 286383443 /nfs/dbraw/zinc/38/34/43/286383443.db2.gz OUHXXMSQGAPSJK-OWCLPIDISA-N 0 3 321.465 2.322 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC1(F)F ZINC000294766128 403733274 /nfs/dbraw/zinc/73/32/74/403733274.db2.gz QMMPWWXVKNPSMX-CQSZACIVSA-N 0 3 307.344 2.104 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000295246987 403810580 /nfs/dbraw/zinc/81/05/80/403810580.db2.gz FJVBKJGBZOXSIZ-IBGZPJMESA-N 0 3 312.413 2.257 20 30 DEEDHN Cc1ccn(-c2ccc(C(=O)C(C#N)c3ccncn3)cc2)n1 ZINC000354462801 403813245 /nfs/dbraw/zinc/81/32/45/403813245.db2.gz DHURFBVGOWVKCO-HNNXBMFYSA-N 0 3 303.325 2.461 20 30 DEEDHN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1ccncn1 ZINC000354468197 403819039 /nfs/dbraw/zinc/81/90/39/403819039.db2.gz LXSKTPFRWGXTCK-OAHLLOKOSA-N 0 3 303.325 2.211 20 30 DEEDHN CN(CCCSCC#N)CCn1cc(Br)cn1 ZINC000288874347 403785822 /nfs/dbraw/zinc/78/58/22/403785822.db2.gz QRUBSMVGIDIVFX-UHFFFAOYSA-N 0 3 317.256 2.224 20 30 DEEDHN CC1(C)C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 ZINC000333598431 403789437 /nfs/dbraw/zinc/78/94/37/403789437.db2.gz PIDLOWJCDFWZPB-ZBFHGGJFSA-N 0 3 313.401 2.211 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](N2CCCCC2)C1 ZINC000341146070 403794916 /nfs/dbraw/zinc/79/49/16/403794916.db2.gz PCRZWVZHNHVUES-SJORKVTESA-N 0 3 307.482 2.360 20 30 DEEDHN Cc1onc(CC(=O)Nc2cc(C)cc(CN(C)C)c2)c1C#N ZINC000354590248 403891861 /nfs/dbraw/zinc/89/18/61/403891861.db2.gz DJPYMUDAKGPBSG-UHFFFAOYSA-N 0 3 312.373 2.406 20 30 DEEDHN C#C[C@@H](C)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000289324133 403910673 /nfs/dbraw/zinc/91/06/73/403910673.db2.gz GAFRQQUIQGNSHQ-CQSZACIVSA-N 0 3 322.836 2.162 20 30 DEEDHN C#Cc1ccc(CNCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000289339306 403917631 /nfs/dbraw/zinc/91/76/31/403917631.db2.gz VXTDQIKFSRZJDF-UHFFFAOYSA-N 0 3 320.440 2.105 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000344117820 403920917 /nfs/dbraw/zinc/92/09/17/403920917.db2.gz JGLFZKSLPDUUBE-VHSXEESVSA-N 0 3 314.311 2.305 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NCc1ccccc1C ZINC000411638689 403921614 /nfs/dbraw/zinc/92/16/14/403921614.db2.gz HUCADGARKWRPLG-QGZVFWFLSA-N 0 3 317.477 2.439 20 30 DEEDHN CCN(CC(C)(C)O)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000305743055 403925750 /nfs/dbraw/zinc/92/57/50/403925750.db2.gz OESBQLNUGIQYCN-CSLYMUCUSA-N 0 3 323.481 2.399 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000310144956 403967217 /nfs/dbraw/zinc/96/72/17/403967217.db2.gz DDUFMCJCFXAUJG-RHSMWYFYSA-N 0 3 320.396 2.346 20 30 DEEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000289873420 404005804 /nfs/dbraw/zinc/00/58/04/404005804.db2.gz RQCPEXLBZBKPHE-DOMZBBRYSA-N 0 3 310.825 2.214 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000290262714 404102522 /nfs/dbraw/zinc/10/25/22/404102522.db2.gz AZLAPJVYJSZYEO-WDYCEAGBSA-N 0 3 316.445 2.340 20 30 DEEDHN CC(C)N1CCCN(C(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000328617949 404115653 /nfs/dbraw/zinc/11/56/53/404115653.db2.gz UQODWOHSZSPFFR-OAHLLOKOSA-N 0 3 319.453 2.091 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1C ZINC000352086377 404134815 /nfs/dbraw/zinc/13/48/15/404134815.db2.gz PCFFUHLPJDBKPO-ROUUACIJSA-N 0 3 324.428 2.039 20 30 DEEDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cnn1C1CCOCC1 ZINC000329042945 404212264 /nfs/dbraw/zinc/21/22/64/404212264.db2.gz OVMBBWVIJUKVLI-TZMCWYRMSA-N 0 3 320.437 2.330 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290411577 404157754 /nfs/dbraw/zinc/15/77/54/404157754.db2.gz FMKICQIFXRCTGU-AEFFLSMTSA-N 0 3 302.418 2.046 20 30 DEEDHN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000328968535 404183967 /nfs/dbraw/zinc/18/39/67/404183967.db2.gz UEHBDMAVQHBCBZ-JGGQBBKZSA-N 0 3 318.421 2.081 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2cc(C#N)n(C)c2)C[C@H]1c1ccccc1 ZINC000369701207 404199093 /nfs/dbraw/zinc/19/90/93/404199093.db2.gz DJRCMAKHGGGDLR-ZWKOTPCHSA-N 0 3 323.396 2.285 20 30 DEEDHN CNC(=O)CC[C@@H]1CCCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC000329155497 404246854 /nfs/dbraw/zinc/24/68/54/404246854.db2.gz CIUJVDLMVHOYLP-KBPBESRZSA-N 0 3 316.467 2.032 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1 ZINC000412369224 404269025 /nfs/dbraw/zinc/26/90/25/404269025.db2.gz VSROFVQFNJDMLR-YQVWRLOYSA-N 0 3 309.413 2.216 20 30 DEEDHN COc1cnc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)s1 ZINC000329236709 404275137 /nfs/dbraw/zinc/27/51/37/404275137.db2.gz JQVKWYCKUQMUPK-QWRGUYRKSA-N 0 3 310.423 2.256 20 30 DEEDHN N#CC(C(=O)Nc1nnc(-c2ccccc2)s1)c1ccncn1 ZINC000352314966 404284636 /nfs/dbraw/zinc/28/46/36/404284636.db2.gz SXNIWVMXOHRRNG-NSHDSACASA-N 0 3 322.353 2.241 20 30 DEEDHN Cc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cnn1CC(C)C ZINC000329416122 404331491 /nfs/dbraw/zinc/33/14/91/404331491.db2.gz FPCDBFBRDSLKGY-GOEBONIOSA-N 0 3 319.453 2.419 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CSc2nnc3ccccn32)CCN1C ZINC000329435380 404335147 /nfs/dbraw/zinc/33/51/47/404335147.db2.gz IUCRAWDVENXQJW-VXGBXAGGSA-N 0 3 319.434 2.261 20 30 DEEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@@H](C2CC2)C1 ZINC000329309320 404298478 /nfs/dbraw/zinc/29/84/78/404298478.db2.gz BWVNXFBHLZGJHX-DZGCQCFKSA-N 0 3 302.422 2.482 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1C#N ZINC000344681586 404302450 /nfs/dbraw/zinc/30/24/50/404302450.db2.gz ATBAZARLRMLRPP-HNNXBMFYSA-N 0 3 300.406 2.112 20 30 DEEDHN O=C1CC[C@H](NCC#Cc2ccccc2Cl)[C@H](C2CC2)N1 ZINC000342027897 404322723 /nfs/dbraw/zinc/32/27/23/404322723.db2.gz CYWQANYYLLHLOS-RDJZCZTQSA-N 0 3 302.805 2.338 20 30 DEEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CCCC#N)CC1 ZINC000291055651 404373307 /nfs/dbraw/zinc/37/33/07/404373307.db2.gz AFKUROCXTALAQD-CQSZACIVSA-N 0 3 300.406 2.417 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000291464983 404388826 /nfs/dbraw/zinc/38/88/26/404388826.db2.gz DKQNXCIQKAPFJQ-HOCLYGCPSA-N 0 3 310.825 2.386 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)C1(C)C ZINC000329604714 404391027 /nfs/dbraw/zinc/39/10/27/404391027.db2.gz LWDUQLQHQLWBEP-TUKIKUTGSA-N 0 3 320.437 2.363 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)C1(C)C ZINC000329604714 404391038 /nfs/dbraw/zinc/39/10/38/404391038.db2.gz LWDUQLQHQLWBEP-TUKIKUTGSA-N 0 3 320.437 2.363 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000296990711 404404013 /nfs/dbraw/zinc/40/40/13/404404013.db2.gz SNNSDKBXGFYASH-UHFFFAOYSA-N 0 3 309.360 2.061 20 30 DEEDHN CCOC[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1 ZINC000329918560 404494825 /nfs/dbraw/zinc/49/48/25/404494825.db2.gz RFVAROGRTGXMFU-HUUCEWRRSA-N 0 3 320.437 2.108 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](OCC2CC2)C1 ZINC000329754644 404442280 /nfs/dbraw/zinc/44/22/80/404442280.db2.gz XJWDWGUCJCYPEM-ZIAGYGMSSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H](OCC2CC2)C1 ZINC000329754644 404442286 /nfs/dbraw/zinc/44/22/86/404442286.db2.gz XJWDWGUCJCYPEM-ZIAGYGMSSA-N 0 3 318.421 2.072 20 30 DEEDHN N#Cc1cc2c(nc1NC1CCN([C@@H]3CCOC3)CC1)CCC2 ZINC000371135872 404447363 /nfs/dbraw/zinc/44/73/63/404447363.db2.gz HKMHBLCBOJVESP-MRXNPFEDSA-N 0 3 312.417 2.107 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)C12CCC2 ZINC000329794479 404455239 /nfs/dbraw/zinc/45/52/39/404455239.db2.gz BYTWGFDPGHNYGZ-VHDGCEQUSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](O)[C@@H](C)C1)C(C)C ZINC000350748151 404459720 /nfs/dbraw/zinc/45/97/20/404459720.db2.gz LXOSIQPWHBRBAE-GVDBMIGSSA-N 0 3 323.481 2.097 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](O)[C@@H](C)C1)C(C)C ZINC000350748149 404459981 /nfs/dbraw/zinc/45/99/81/404459981.db2.gz LXOSIQPWHBRBAE-BBWFWOEESA-N 0 3 323.481 2.097 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](CO)c2ccccc2)CC1 ZINC000297676034 404587589 /nfs/dbraw/zinc/58/75/89/404587589.db2.gz OAHJMKDSZXAGMQ-KRWDZBQOSA-N 0 3 317.433 2.012 20 30 DEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000330124286 404558474 /nfs/dbraw/zinc/55/84/74/404558474.db2.gz HZDLPLOMTYEKNC-ZACQAIPSSA-N 0 3 321.465 2.464 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)o1 ZINC000345206496 404611619 /nfs/dbraw/zinc/61/16/19/404611619.db2.gz GMONKTSEQGGWQP-UHFFFAOYSA-N 0 3 310.357 2.193 20 30 DEEDHN N#Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)nc2ccccc12 ZINC000330320599 404625460 /nfs/dbraw/zinc/62/54/60/404625460.db2.gz RSQKKWSLMUTQRO-OAHLLOKOSA-N 0 3 322.412 2.265 20 30 DEEDHN C=CCCCCNC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000365470715 404670102 /nfs/dbraw/zinc/67/01/02/404670102.db2.gz XKLKYMRKILTQJE-UHFFFAOYSA-N 0 3 322.497 2.012 20 30 DEEDHN CC(C#N)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000357793845 404743947 /nfs/dbraw/zinc/74/39/47/404743947.db2.gz MZDRHGLWAFOTGA-LLVKDONJSA-N 0 3 307.344 2.205 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000358440893 404762205 /nfs/dbraw/zinc/76/22/05/404762205.db2.gz HIQVOTAIJYYOKZ-MRXNPFEDSA-N 0 3 319.449 2.351 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOC2CCCCC2)CC1 ZINC000358795952 404776273 /nfs/dbraw/zinc/77/62/73/404776273.db2.gz NLJPQRFLGGEDPK-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN CC[C@H](C)N(C)CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000358885334 404778801 /nfs/dbraw/zinc/77/88/01/404778801.db2.gz OYCIFDCFODYOHK-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN Cc1cc(Cl)ccc1CN1CCN(C(=O)C(C)C#N)CC1 ZINC000358968607 404780319 /nfs/dbraw/zinc/78/03/19/404780319.db2.gz TWNWVHZRMKRERY-ZDUSSCGKSA-N 0 3 305.809 2.452 20 30 DEEDHN Cn1nccc1[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000366265735 404782513 /nfs/dbraw/zinc/78/25/13/404782513.db2.gz FWXISGMDDYOAQP-FUHWJXTLSA-N 0 3 310.401 2.205 20 30 DEEDHN CC#CCNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000359652783 404800567 /nfs/dbraw/zinc/80/05/67/404800567.db2.gz PNEVGJRSNBHNCD-KRWDZBQOSA-N 0 3 317.433 2.399 20 30 DEEDHN CC(C)CN1CCO[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429891 404829381 /nfs/dbraw/zinc/82/93/81/404829381.db2.gz VDHATYIIXGECBB-PKOBYXMFSA-N 0 3 313.445 2.492 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000366707773 404835600 /nfs/dbraw/zinc/83/56/00/404835600.db2.gz IKNTXYQUKJPVBD-QZWWFDLISA-N 0 3 321.465 2.093 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC1(O)CCC1 ZINC000353493628 404846799 /nfs/dbraw/zinc/84/67/99/404846799.db2.gz XGRXACDZSXVUNH-CQSZACIVSA-N 0 3 322.474 2.498 20 30 DEEDHN C=CCc1cc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)cc(OC)c1O ZINC000361170565 404956955 /nfs/dbraw/zinc/95/69/55/404956955.db2.gz ZNDSANMXRWUMDZ-QGPMSJSTSA-N 0 3 321.417 2.411 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)c2cc(C#N)oc2C)CC1 ZINC000435699675 405004339 /nfs/dbraw/zinc/00/43/39/405004339.db2.gz ZSZWVGLRWQZTIL-UHFFFAOYSA-N 0 3 319.405 2.079 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(COc2ccccc2)CC1 ZINC000424105218 405006890 /nfs/dbraw/zinc/00/68/90/405006890.db2.gz QFORSVUUBCOIRI-KRWDZBQOSA-N 0 3 315.417 2.325 20 30 DEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccc(Cl)cc1 ZINC000424120480 405013348 /nfs/dbraw/zinc/01/33/48/405013348.db2.gz HDWNPYQSSKFPHC-BXUZGUMPSA-N 0 3 309.797 2.245 20 30 DEEDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424127549 405015383 /nfs/dbraw/zinc/01/53/83/405015383.db2.gz QCZRVVRNWSMHEB-AWEZNQCLSA-N 0 3 317.389 2.097 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000424129995 405016489 /nfs/dbraw/zinc/01/64/89/405016489.db2.gz DUVORUMPKNOXNH-ZIAGYGMSSA-N 0 3 320.462 2.022 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000424133726 405016648 /nfs/dbraw/zinc/01/66/48/405016648.db2.gz ZVZSMTJWYBLWAS-DLBZAZTESA-N 0 3 315.417 2.073 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000424137710 405018531 /nfs/dbraw/zinc/01/85/31/405018531.db2.gz PDCASOPHSVSXQB-CQSZACIVSA-N 0 3 320.824 2.010 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000424164317 405026736 /nfs/dbraw/zinc/02/67/36/405026736.db2.gz CBIBTHPOVRCFEE-PVAVHDDUSA-N 0 3 315.417 2.292 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000424168578 405027765 /nfs/dbraw/zinc/02/77/65/405027765.db2.gz GDALFMCFQPAGLU-HOTGVXAUSA-N 0 3 300.406 2.111 20 30 DEEDHN COC[C@H](C)Nc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424177124 405030567 /nfs/dbraw/zinc/03/05/67/405030567.db2.gz UCKYRCZEXFFXLW-STQMWFEESA-N 0 3 304.394 2.093 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)c(Cl)nc1C ZINC000381413869 405030828 /nfs/dbraw/zinc/03/08/28/405030828.db2.gz QUUOEMRURNDLRJ-UHFFFAOYSA-N 0 3 314.216 2.382 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1N1CCCCC1 ZINC000424188399 405034225 /nfs/dbraw/zinc/03/42/25/405034225.db2.gz JRZRFPHENGGNLS-MRXNPFEDSA-N 0 3 314.433 2.314 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000367239388 404977425 /nfs/dbraw/zinc/97/74/25/404977425.db2.gz CSRILRZZIJQYDF-SJORKVTESA-N 0 3 302.418 2.183 20 30 DEEDHN C=C(C)CS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000435421152 404978132 /nfs/dbraw/zinc/97/81/32/404978132.db2.gz IAUMYHJACKKZRO-ZNMIVQPWSA-N 0 3 300.468 2.230 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435472411 404984729 /nfs/dbraw/zinc/98/47/29/404984729.db2.gz WXFGRJIAYGXCJS-UHFFFAOYSA-N 0 3 309.413 2.356 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000424067081 404992802 /nfs/dbraw/zinc/99/28/02/404992802.db2.gz VGFXNKXODFOVAU-STQMWFEESA-N 0 3 307.394 2.500 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000424067078 404992962 /nfs/dbraw/zinc/99/29/62/404992962.db2.gz VGFXNKXODFOVAU-OLZOCXBDSA-N 0 3 307.394 2.500 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1cccc(Br)c1 ZINC000424081839 404998124 /nfs/dbraw/zinc/99/81/24/404998124.db2.gz KMUJHOWRSCKRDG-LBPRGKRZSA-N 0 3 310.195 2.086 20 30 DEEDHN CN(CCOc1ccc(Cl)cc1)C(=O)[C@H](N)CCCC#N ZINC000424079245 404998183 /nfs/dbraw/zinc/99/81/83/404998183.db2.gz QVIVIFQBXSQXDP-CQSZACIVSA-N 0 3 309.797 2.198 20 30 DEEDHN CC#CCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000354110292 405049577 /nfs/dbraw/zinc/04/95/77/405049577.db2.gz BELDRHJLYNOUOJ-UHFFFAOYSA-N 0 3 313.445 2.360 20 30 DEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000424324839 405068653 /nfs/dbraw/zinc/06/86/53/405068653.db2.gz KGQHUMVOJRBFJI-TYNCELHUSA-N 0 3 307.419 2.401 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000424507522 405108013 /nfs/dbraw/zinc/10/80/13/405108013.db2.gz JIQDBRQSVXBYGX-BDXSIMOUSA-N 0 3 314.429 2.182 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000424530774 405110481 /nfs/dbraw/zinc/11/04/81/405110481.db2.gz LCDHBAHUXIFAOB-JJTUDDRGSA-N 0 3 306.450 2.156 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000408104627 405114000 /nfs/dbraw/zinc/11/40/00/405114000.db2.gz FCFOSHJRMCCSRM-WCQYABFASA-N 0 3 318.808 2.305 20 30 DEEDHN C=CCCn1cc(C(=O)Nc2cc(CN(C)C)ccc2C)nn1 ZINC000424713716 405157317 /nfs/dbraw/zinc/15/73/17/405157317.db2.gz YIVNZPPLQCKDAS-UHFFFAOYSA-N 0 3 313.405 2.477 20 30 DEEDHN C=C(C)COCCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000354336294 405164125 /nfs/dbraw/zinc/16/41/25/405164125.db2.gz WNKDWVDEVVZEQG-UHFFFAOYSA-N 0 3 321.421 2.341 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](CCCO)C1 ZINC000452131101 405189317 /nfs/dbraw/zinc/18/93/17/405189317.db2.gz OYYITZDHKDTAGA-AWEZNQCLSA-N 0 3 304.390 2.040 20 30 DEEDHN N#Cc1cccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367960440 405203764 /nfs/dbraw/zinc/20/37/64/405203764.db2.gz ZLHUZTDJKJMIEO-DLBZAZTESA-N 0 3 300.402 2.358 20 30 DEEDHN N#Cc1ccccc1OCCN(CCO)[C@@H]1CCCSC1 ZINC000439007085 405262669 /nfs/dbraw/zinc/26/26/69/405262669.db2.gz UXONYONLGNAUPX-OAHLLOKOSA-N 0 3 306.431 2.127 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(Cc2cccc(CN(C)C)c2)C1=O ZINC000419961357 405275724 /nfs/dbraw/zinc/27/57/24/405275724.db2.gz YRFPFRUGRQQVFT-OAHLLOKOSA-N 0 3 301.390 2.135 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@](C)(O)CCN(C)C)c1ccccc1 ZINC000420000952 405279042 /nfs/dbraw/zinc/27/90/42/405279042.db2.gz QORFDKYFWLZDQO-SJLPKXTDSA-N 0 3 304.434 2.165 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@@](C)(O)CCN(C)C)c1ccccc1 ZINC000420010800 405280414 /nfs/dbraw/zinc/28/04/14/405280414.db2.gz HKCGNYCTLQBSQI-QAPCUYQASA-N 0 3 304.434 2.165 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425392510 405284601 /nfs/dbraw/zinc/28/46/01/405284601.db2.gz GZYBMXHBCLZWKT-XJKSGUPXSA-N 0 3 300.406 2.240 20 30 DEEDHN COCCCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419378637 405245896 /nfs/dbraw/zinc/24/58/96/405245896.db2.gz DMAIKHCZFSTACJ-KRWDZBQOSA-N 0 3 315.417 2.412 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000454469503 405349941 /nfs/dbraw/zinc/34/99/41/405349941.db2.gz UPKJNSYBLNWQMI-HOCLYGCPSA-N 0 3 309.454 2.093 20 30 DEEDHN N#CC1(CCCN2CCC[C@@H](n3ccnn3)C2)CCOCC1 ZINC000425517520 405299311 /nfs/dbraw/zinc/29/93/11/405299311.db2.gz ULMJCQGEYNDGKX-OAHLLOKOSA-N 0 3 303.410 2.016 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000420874555 405398409 /nfs/dbraw/zinc/39/84/09/405398409.db2.gz YTRWGKPDJKPTQZ-INIZCTEOSA-N 0 3 317.433 2.487 20 30 DEEDHN C=C(CC)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000455521652 405421561 /nfs/dbraw/zinc/42/15/61/405421561.db2.gz LBWUJUNPDASXAO-IYBDPMFKSA-N 0 3 323.481 2.483 20 30 DEEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000445901489 405362189 /nfs/dbraw/zinc/36/21/89/405362189.db2.gz XHYMATVCZNOYRL-YPMHNXCESA-N 0 3 305.344 2.361 20 30 DEEDHN Cc1nnc(CCNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000426492133 405363965 /nfs/dbraw/zinc/36/39/65/405363965.db2.gz NUGWPNCZSTXOQH-CQSZACIVSA-N 0 3 314.414 2.278 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](CCO)CC1 ZINC000421032331 405436445 /nfs/dbraw/zinc/43/64/45/405436445.db2.gz FDTBFAMAINYQSN-HOTGVXAUSA-N 0 3 321.465 2.202 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000429721606 405445281 /nfs/dbraw/zinc/44/52/81/405445281.db2.gz XVALDZZOACTBDU-HNNXBMFYSA-N 0 3 321.440 2.270 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000429719505 405445827 /nfs/dbraw/zinc/44/58/27/405445827.db2.gz CSTXOXYLEPUCBT-HNNXBMFYSA-N 0 3 314.437 2.163 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCC[C@@H]1CCO ZINC000429773146 405448527 /nfs/dbraw/zinc/44/85/27/405448527.db2.gz YLPGTAOLODFKQW-RISCZKNCSA-N 0 3 321.808 2.291 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455799321 405451688 /nfs/dbraw/zinc/45/16/88/405451688.db2.gz XOSURCBUFUQYBX-SNVBAGLBSA-N 0 3 307.785 2.212 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000448947686 405468595 /nfs/dbraw/zinc/46/85/95/405468595.db2.gz ZIDZAWIVOSWLEO-UXLLHSPISA-N 0 3 300.402 2.097 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421709804 405604561 /nfs/dbraw/zinc/60/45/61/405604561.db2.gz HHKHEZXJUKKURB-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN COCCN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[C@H](C)C1 ZINC000580552081 405642016 /nfs/dbraw/zinc/64/20/16/405642016.db2.gz OUEFWOWIMDAOQP-XJKSGUPXSA-N 0 3 313.405 2.238 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(Oc3ccccc3)CC2)CC1 ZINC000421766135 405637044 /nfs/dbraw/zinc/63/70/44/405637044.db2.gz CSHYJXQPYNFCDW-UHFFFAOYSA-N 0 3 300.402 2.365 20 30 DEEDHN C[C@@H]1CC(F)(F)CCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000528762769 405738163 /nfs/dbraw/zinc/73/81/63/405738163.db2.gz NWDWSAJGKQJKHU-TZMCWYRMSA-N 0 3 310.344 2.418 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)CC#N)C[C@@H](C)C1 ZINC000459240553 405814440 /nfs/dbraw/zinc/81/44/40/405814440.db2.gz QGGOLIYAPRWTNR-SOUVJXGZSA-N 0 3 306.454 2.298 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCOCCC#N)C[C@@H]2C1 ZINC000495594454 405925543 /nfs/dbraw/zinc/92/55/43/405925543.db2.gz MQXDBTSPDKFQDO-LSDHHAIUSA-N 0 3 323.437 2.105 20 30 DEEDHN C[C@@H]1CN(CCOCCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000495592740 405925770 /nfs/dbraw/zinc/92/57/70/405925770.db2.gz ITJNESOEWGLYBF-ZIAGYGMSSA-N 0 3 311.426 2.152 20 30 DEEDHN C[C@@H]1CN(CCOCCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000495592738 405926233 /nfs/dbraw/zinc/92/62/33/405926233.db2.gz ITJNESOEWGLYBF-KGLIPLIRSA-N 0 3 311.426 2.152 20 30 DEEDHN CC(C#N)C(=O)NCCCCCNC(=O)OCc1ccccc1 ZINC000495629189 405927866 /nfs/dbraw/zinc/92/78/66/405927866.db2.gz PEQNYXXRZVWSHM-AWEZNQCLSA-N 0 3 317.389 2.359 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(n2cncn2)CC1 ZINC000433341993 405928085 /nfs/dbraw/zinc/92/80/85/405928085.db2.gz JRVFVPRBNMLPIK-MRXNPFEDSA-N 0 3 323.400 2.214 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CCN1C ZINC000619759395 405931395 /nfs/dbraw/zinc/93/13/95/405931395.db2.gz IFOQRCNCFXLRKE-FZMZJTMJSA-N 0 3 320.824 2.494 20 30 DEEDHN COc1ccc([C@H](CO)CNCc2ccc(C#N)s2)cc1 ZINC000459728183 406022658 /nfs/dbraw/zinc/02/26/58/406022658.db2.gz FXQLBRQWKZURGQ-ZDUSSCGKSA-N 0 3 302.399 2.494 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000459755224 406034165 /nfs/dbraw/zinc/03/41/65/406034165.db2.gz JTSDINJTNUCUFC-VBNZEHGJSA-N 0 3 313.401 2.432 20 30 DEEDHN C[C@@H](CCCc1cccnc1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000459634106 405992853 /nfs/dbraw/zinc/99/28/53/405992853.db2.gz HRRHMAFWJWHUII-KSSFIOAISA-N 0 3 322.412 2.481 20 30 DEEDHN CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000564150156 406062838 /nfs/dbraw/zinc/06/28/38/406062838.db2.gz KCQUVXFWUITZGN-HZPDHXFCSA-N 0 3 314.433 2.348 20 30 DEEDHN CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000564150135 406062995 /nfs/dbraw/zinc/06/29/95/406062995.db2.gz KCQUVXFWUITZGN-CVEARBPZSA-N 0 3 314.433 2.348 20 30 DEEDHN C=CCN(CC(=O)N[C@H](C(=O)OC)C(C)C)CC1CCCCC1 ZINC000516687876 406102629 /nfs/dbraw/zinc/10/26/29/406102629.db2.gz GECZVVOLXJNQFC-KRWDZBQOSA-N 0 3 324.465 2.369 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000564918850 406068851 /nfs/dbraw/zinc/06/88/51/406068851.db2.gz WNLARVOGEUXHPI-AOIWGVFYSA-N 0 3 317.429 2.266 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2nc(C)oc2C)CC1 ZINC000536135023 406250883 /nfs/dbraw/zinc/25/08/83/406250883.db2.gz GEVCAUQBNYKADL-UHFFFAOYSA-N 0 3 320.437 2.174 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000569442240 406253939 /nfs/dbraw/zinc/25/39/39/406253939.db2.gz LQKRXIQFNXQCSB-HNNXBMFYSA-N 0 3 322.412 2.480 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809781 406264806 /nfs/dbraw/zinc/26/48/06/406264806.db2.gz OQJOFICXWAVAAP-AWEZNQCLSA-N 0 3 310.463 2.148 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634781115 406280422 /nfs/dbraw/zinc/28/04/22/406280422.db2.gz LKGYVWNTLVADMV-KFWWJZLASA-N 0 3 320.458 2.229 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000520519066 406298469 /nfs/dbraw/zinc/29/84/69/406298469.db2.gz JEFUYKURNXKVLI-JTQLQIEISA-N 0 3 307.785 2.070 20 30 DEEDHN COC(=O)COc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000541209575 406300071 /nfs/dbraw/zinc/30/00/71/406300071.db2.gz MLXOCUDWLCKSMY-UHFFFAOYSA-N 0 3 302.374 2.364 20 30 DEEDHN CCc1nn(CCN2C[C@@H](C)C[C@H](C)C2)c(=O)c(C#N)c1CC ZINC000570699114 406429853 /nfs/dbraw/zinc/42/98/53/406429853.db2.gz PQXRWCFHEHCWJN-KBPBESRZSA-N 0 3 316.449 2.218 20 30 DEEDHN COCCN(CCOc1ccc(C#N)cc1)[C@@H]1CCO[C@@H]1C ZINC000489500231 406413390 /nfs/dbraw/zinc/41/33/90/406413390.db2.gz RTLFSBAPRMCKGE-RHSMWYFYSA-N 0 3 304.390 2.063 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@H]1CCCN(CC(C)C)C1 ZINC000489716618 406427526 /nfs/dbraw/zinc/42/75/26/406427526.db2.gz INXQHOHXBSJHAS-OAHLLOKOSA-N 0 3 302.484 2.240 20 30 DEEDHN CN1CCN([C@H](CN[C@H]2CC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000521762110 406364971 /nfs/dbraw/zinc/36/49/71/406364971.db2.gz PKQQIDOZDJGIAG-OWCLPIDISA-N 0 3 318.490 2.318 20 30 DEEDHN CN1CCN([C@H](CN[C@@H]2CC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000521762108 406364997 /nfs/dbraw/zinc/36/49/97/406364997.db2.gz PKQQIDOZDJGIAG-BZUAXINKSA-N 0 3 318.490 2.318 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1cc(C#N)ncn1 ZINC000570351620 406381440 /nfs/dbraw/zinc/38/14/40/406381440.db2.gz XPGWOJKZOIJBKG-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN C#CCN(CC)C[C@@H](O)COc1ccc(/C=C/C)cc1OC ZINC000490739668 406488897 /nfs/dbraw/zinc/48/88/97/406488897.db2.gz GDWBVKCPRACCNR-CDVVCGDMSA-N 0 3 303.402 2.423 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490096141 406451900 /nfs/dbraw/zinc/45/19/00/406451900.db2.gz TWQZWUDVBWXKEL-GDBMZVCRSA-N 0 3 315.417 2.185 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000491200570 406542691 /nfs/dbraw/zinc/54/26/91/406542691.db2.gz BBKFLLVODMIWNX-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000491228607 406548947 /nfs/dbraw/zinc/54/89/47/406548947.db2.gz AXWWJRFDNDONOR-QUCCMNQESA-N 0 3 310.441 2.352 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1OC ZINC000525804749 406504489 /nfs/dbraw/zinc/50/44/89/406504489.db2.gz NWKVIKIGHOBQMN-CQSZACIVSA-N 0 3 318.417 2.332 20 30 DEEDHN C#CCN(C)CCCN[C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000491451963 406596076 /nfs/dbraw/zinc/59/60/76/406596076.db2.gz IOAJBNOHXBPPKC-GOSISDBHSA-N 0 3 314.408 2.193 20 30 DEEDHN C#C[C@H](C)N(C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000491664343 406657677 /nfs/dbraw/zinc/65/76/77/406657677.db2.gz SZANDFCHQZWRIK-JTQLQIEISA-N 0 3 320.190 2.070 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000491674388 406662571 /nfs/dbraw/zinc/66/25/71/406662571.db2.gz XBOJCUQMWVCWEP-CABCVRRESA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccccc1OCC ZINC000491681172 406666190 /nfs/dbraw/zinc/66/61/90/406666190.db2.gz LXWVKKQKOCCXQC-UHFFFAOYSA-N 0 3 317.433 2.182 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000491682245 406667845 /nfs/dbraw/zinc/66/78/45/406667845.db2.gz QURTUKUOAUICLC-IJLUTSLNSA-N 0 3 304.356 2.375 20 30 DEEDHN C#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000491712281 406683439 /nfs/dbraw/zinc/68/34/39/406683439.db2.gz WWBWCQIEZFFOJP-KRWDZBQOSA-N 0 3 300.377 2.491 20 30 DEEDHN C#C[C@H](CC)NC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000491742731 406697157 /nfs/dbraw/zinc/69/71/57/406697157.db2.gz TXHABHYIYSISOR-CYBMUJFWSA-N 0 3 319.405 2.169 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000491630124 406640267 /nfs/dbraw/zinc/64/02/67/406640267.db2.gz XCVSDYOAMYOJOB-ZDUSSCGKSA-N 0 3 303.233 2.032 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000491813931 406733353 /nfs/dbraw/zinc/73/33/53/406733353.db2.gz LPUHMVVNZCXTMU-INIZCTEOSA-N 0 3 313.445 2.357 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2cccs2)s1 ZINC000572751346 406733453 /nfs/dbraw/zinc/73/34/53/406733453.db2.gz FCLJWSHYZQNEDF-NSHDSACASA-N 0 3 308.428 2.349 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C#N)c(C#N)c2C)CC1 ZINC000491770931 406708824 /nfs/dbraw/zinc/70/88/24/406708824.db2.gz PMGYQXNPCFFCIJ-UHFFFAOYSA-N 0 3 306.369 2.022 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000491781610 406716843 /nfs/dbraw/zinc/71/68/43/406716843.db2.gz GKXCJHJYVWZNFD-ZFWWWQNUSA-N 0 3 303.406 2.157 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000491803119 406727945 /nfs/dbraw/zinc/72/79/45/406727945.db2.gz IIRNBKCLOBUKQX-ZLIFDBKOSA-N 0 3 315.392 2.282 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000573589315 406775622 /nfs/dbraw/zinc/77/56/22/406775622.db2.gz BLNOYCHDBSSDND-DJIMGWMZSA-N 0 3 306.450 2.300 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000491950647 406788085 /nfs/dbraw/zinc/78/80/85/406788085.db2.gz CLYRLMPCBIBUCS-IJVDHGTGSA-N 0 3 313.401 2.060 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000641397210 406793375 /nfs/dbraw/zinc/79/33/75/406793375.db2.gz VSEWASZXDSBODX-KGLIPLIRSA-N 0 3 323.462 2.046 20 30 DEEDHN CN(CCC(=O)NCC#Cc1cccc(F)c1)c1ccncc1 ZINC000554806912 406825576 /nfs/dbraw/zinc/82/55/76/406825576.db2.gz QEXLXRVHZDJLNP-UHFFFAOYSA-N 0 3 311.360 2.215 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H](N)Cc3ccccc32)CCOCC1 ZINC000644165226 407098964 /nfs/dbraw/zinc/09/89/64/407098964.db2.gz UXQUQYAZTJWEJO-OAHLLOKOSA-N 0 3 300.402 2.276 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H]1CNCCC1(F)F ZINC000643983092 407068976 /nfs/dbraw/zinc/06/89/76/407068976.db2.gz MSYSWWMZPKMKFJ-OAHLLOKOSA-N 0 3 308.372 2.489 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 ZINC000644704285 407170722 /nfs/dbraw/zinc/17/07/22/407170722.db2.gz QWXFMBKTAMCMPA-IYBDPMFKSA-N 0 3 307.482 2.264 20 30 DEEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1[O-] ZINC000129879242 196082678 /nfs/dbraw/zinc/08/26/78/196082678.db2.gz PEPLOVVDFTZUEA-UHFFFAOYSA-N 0 3 323.396 2.468 20 30 DEEDHN C=CC1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000131279308 196156370 /nfs/dbraw/zinc/15/63/70/196156370.db2.gz WBXKBAUEBJQJMK-UHFFFAOYSA-N 0 3 308.447 2.335 20 30 DEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](CO)C(C)C)c1 ZINC000180613972 224897639 /nfs/dbraw/zinc/89/76/39/224897639.db2.gz MFQDIZYFIOBJCY-QGZVFWFLSA-N 0 3 317.433 2.157 20 30 DEEDHN CCn1nccc1N1CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1=O ZINC000253354817 225249638 /nfs/dbraw/zinc/24/96/38/225249638.db2.gz MQLQQQWKOWPSNP-ILXRZTDVSA-N 0 3 315.421 2.070 20 30 DEEDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1coc(C2CCOCC2)n1 ZINC000328753069 225794158 /nfs/dbraw/zinc/79/41/58/225794158.db2.gz RTZDLJDNIYOENR-GFCCVEGCSA-N 0 3 319.405 2.358 20 30 DEEDHN N#CCCOCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000339009205 226177337 /nfs/dbraw/zinc/17/73/37/226177337.db2.gz BLWXGPGJMJMPOI-MRXNPFEDSA-N 0 3 315.417 2.059 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](CNC(=O)c3ccco3)C2)C1 ZINC000339168508 226182504 /nfs/dbraw/zinc/18/25/04/226182504.db2.gz HPQMGEMONZLNQF-ILXRZTDVSA-N 0 3 301.390 2.414 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc3cncn32)[C@H]1C ZINC001088893815 782027729 /nfs/dbraw/zinc/02/77/29/782027729.db2.gz VRRBVULIWJQKHZ-NEPJUHHUSA-N 0 3 304.419 2.165 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)[C@H]1C ZINC001088902029 782032258 /nfs/dbraw/zinc/03/22/58/782032258.db2.gz WYSKMDVFAISUOP-DOMZBBRYSA-N 0 3 303.406 2.289 20 30 DEEDHN C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(OCC#N)cc1 ZINC000834916357 649860105 /nfs/dbraw/zinc/86/01/05/649860105.db2.gz WNHVYJWRCAZTSY-JLJPHGGASA-N 0 3 313.401 2.393 20 30 DEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(F)cc(F)c1 ZINC000527074276 424832835 /nfs/dbraw/zinc/83/28/35/424832835.db2.gz UXLWXGMTUHTACT-UHFFFAOYSA-N 0 3 305.332 2.206 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2CCCN2Cc2ccccc2)nc1N ZINC000565222065 424905062 /nfs/dbraw/zinc/90/50/62/424905062.db2.gz MPBGEHHNTIYQIG-INIZCTEOSA-N 0 3 307.401 2.612 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000378313918 424906633 /nfs/dbraw/zinc/90/66/33/424906633.db2.gz HITFFJHNGHQLAM-APWZRJJASA-N 0 3 312.461 2.016 20 30 DEEDHN CN(C)[C@@H](CNc1ccc(C#N)c(N)n1)c1ccc(Cl)cc1 ZINC000578026123 424956087 /nfs/dbraw/zinc/95/60/87/424956087.db2.gz JSPBMNMENMGYJM-AWEZNQCLSA-N 0 3 315.808 2.904 20 30 DEEDHN COc1ccc([C@@H](CN2CCCC2)Nc2cc(C#N)cnn2)cc1 ZINC000596189160 425021576 /nfs/dbraw/zinc/02/15/76/425021576.db2.gz OTHWGMQREXXKIG-QGZVFWFLSA-N 0 3 323.400 2.606 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C2CC2)C2CCOCC2)CC1 ZINC000650852749 425067044 /nfs/dbraw/zinc/06/70/44/425067044.db2.gz PNICKAMSAYAXOH-QGZVFWFLSA-N 0 3 321.465 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)OC[C@@H]2C)CC1 ZINC000650851854 425067218 /nfs/dbraw/zinc/06/72/18/425067218.db2.gz HKCGJNRJUGWONW-GOEBONIOSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000650029282 425112931 /nfs/dbraw/zinc/11/29/31/425112931.db2.gz NGGTZZXMAGIFDO-ZACQAIPSSA-N 0 3 300.402 2.113 20 30 DEEDHN C=CCCn1cc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)nn1 ZINC000653586775 425185444 /nfs/dbraw/zinc/18/54/44/425185444.db2.gz ANFFPJZBOOFCAQ-YJBOKZPZSA-N 0 3 315.465 2.303 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000663580317 425190027 /nfs/dbraw/zinc/19/00/27/425190027.db2.gz OYUUYWZZVPJZDS-UHFFFAOYSA-N 0 3 310.486 2.056 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)[C@@H](C)COC ZINC000663627467 425202285 /nfs/dbraw/zinc/20/22/85/425202285.db2.gz IPGIOQNBDFBWGB-PMPSAXMXSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCCC[C@@H]1C)[C@H](C)COC ZINC000663630300 425202520 /nfs/dbraw/zinc/20/25/20/425202520.db2.gz SJPKNCWFNFQBRU-HRCADAONSA-N 0 3 311.470 2.482 20 30 DEEDHN C=CCCn1cc(CN[C@@H]2CCN(C)[C@H]2c2ccccc2)nn1 ZINC000653663836 425204969 /nfs/dbraw/zinc/20/49/69/425204969.db2.gz PEGVTHGNNBUJPD-MSOLQXFVSA-N 0 3 311.433 2.389 20 30 DEEDHN COCC#CCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000653767708 425223516 /nfs/dbraw/zinc/22/35/16/425223516.db2.gz HTFDSSSOGVBGPQ-QAQDUYKDSA-N 0 3 303.402 2.148 20 30 DEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC[C@H](C)C1)[C@H](C)COC ZINC000663794390 425237360 /nfs/dbraw/zinc/23/73/60/425237360.db2.gz WQJJTFKFIOAHGT-ARFHVFGLSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCOCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000660956634 425285390 /nfs/dbraw/zinc/28/53/90/425285390.db2.gz BTFBUNUPTJGNAV-DLBZAZTESA-N 0 3 317.433 2.324 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000661037838 425304241 /nfs/dbraw/zinc/30/42/41/425304241.db2.gz WCQXTSSKGZCSHV-DLBZAZTESA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)[C@H]2CCCCO2)CC1 ZINC000654431210 425352166 /nfs/dbraw/zinc/35/21/66/425352166.db2.gz AKDYTXBYTNHVDS-JKSUJKDBSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCCCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000664785116 425454555 /nfs/dbraw/zinc/45/45/55/425454555.db2.gz OQUICWZCEBYEAE-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCC1(NC(=O)C(=O)Nc2cccc(CN)c2)CCCC1 ZINC000659102981 425528357 /nfs/dbraw/zinc/52/83/57/425528357.db2.gz KZNBRTHXRANISC-UHFFFAOYSA-N 0 3 301.390 2.089 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000665386608 425559569 /nfs/dbraw/zinc/55/95/69/425559569.db2.gz ZJRSGZCLJNGNEL-IKGGRYGDSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(C[C@@H](O)CCC=C)[C@H](C)[C@@H]1C ZINC000662225767 425593082 /nfs/dbraw/zinc/59/30/82/425593082.db2.gz NYNGAAWTHSPJEB-FZDBZEDMSA-N 0 3 310.482 2.035 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000528515076 268299283 /nfs/dbraw/zinc/29/92/83/268299283.db2.gz DEORJCGPVXPDTJ-WMLDXEAASA-N 0 3 324.380 2.281 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC(OCC3CC3)CC2)cc1 ZINC000360041768 269047069 /nfs/dbraw/zinc/04/70/69/269047069.db2.gz RIBDAJKAOKKHLR-SFHVURJKSA-N 0 3 300.402 2.483 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2COC)[C@H]1C ZINC001088913870 782042126 /nfs/dbraw/zinc/04/21/26/782042126.db2.gz UZZSEWVLBXOSKI-PBHICJAKSA-N 0 3 302.418 2.141 20 30 DEEDHN O[C@H]1CCC[C@H]1N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000362156556 275058889 /nfs/dbraw/zinc/05/88/89/275058889.db2.gz QEOVUSLDBQHGCK-MSOLQXFVSA-N 0 3 318.848 2.223 20 30 DEEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@H]1C ZINC000349831012 276251364 /nfs/dbraw/zinc/25/13/64/276251364.db2.gz HBLZNCAOBOSCKD-KGLIPLIRSA-N 0 3 324.432 2.273 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368427440 276865154 /nfs/dbraw/zinc/86/51/54/276865154.db2.gz UZLZRCJKCDVAQN-IAGOWNOFSA-N 0 3 307.482 2.216 20 30 DEEDHN C=C(C)CS(=O)(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000435432925 277780395 /nfs/dbraw/zinc/78/03/95/277780395.db2.gz PDSOTKMLDQZFCN-KBPBESRZSA-N 0 3 302.484 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](CC)C(=O)OC)C(C)C ZINC000277280352 277851970 /nfs/dbraw/zinc/85/19/70/277851970.db2.gz PPRCKNHGABROES-HUUCEWRRSA-N 0 3 310.438 2.000 20 30 DEEDHN C[C@@H](CCN1CCN(C)CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000349378094 278231666 /nfs/dbraw/zinc/23/16/66/278231666.db2.gz KZFDOKIHTPWFAI-GJZGRUSLSA-N 0 3 318.440 2.374 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329701790 279066434 /nfs/dbraw/zinc/06/64/34/279066434.db2.gz HNPDCYYNYASBNI-XMZIXOGTSA-N 0 3 312.373 2.293 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329701790 279066436 /nfs/dbraw/zinc/06/64/36/279066436.db2.gz HNPDCYYNYASBNI-XMZIXOGTSA-N 0 3 312.373 2.293 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)Cc1[nH]cnc1C)C(C)(C)C ZINC001423615012 1173448874 /nfs/dbraw/zinc/44/88/74/1173448874.db2.gz LGTPQAXIYKVQOG-ZDUSSCGKSA-N 0 3 312.845 2.134 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)[C@@]3(C#N)CC34CCCC4)C2)C1 ZINC000452153165 290003091 /nfs/dbraw/zinc/00/30/91/290003091.db2.gz QTYIASBRJVPDCT-WMZOPIPTSA-N 0 3 301.434 2.405 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000249518549 290114769 /nfs/dbraw/zinc/11/47/69/290114769.db2.gz SYFKBKMLYSDDHX-HOTGVXAUSA-N 0 3 315.461 2.375 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@@H](O)C12CCCC2)N1CCC[C@@H](C)C1 ZINC000330341291 298244783 /nfs/dbraw/zinc/24/47/83/298244783.db2.gz ZBIGKTFUFDWYEY-BZUAXINKSA-N 0 3 323.481 2.400 20 30 DEEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)CSCC#N)N(C)C ZINC000344273852 302202320 /nfs/dbraw/zinc/20/23/20/302202320.db2.gz VAICJOZBKSOEFQ-BBRMVZONSA-N 0 3 305.447 2.359 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCc2ccccn2)CC1 ZINC001479983313 1151265424 /nfs/dbraw/zinc/26/54/24/1151265424.db2.gz FBIQEDYBFXRXOV-QGZVFWFLSA-N 0 3 311.429 2.008 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCC(C)(C)CN1CCCO ZINC001099069259 782084929 /nfs/dbraw/zinc/08/49/29/782084929.db2.gz DDMLOLHLZFSUJQ-OAHLLOKOSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001479992247 1151283259 /nfs/dbraw/zinc/28/32/59/1151283259.db2.gz MNTGAYXTPYBULD-GOSISDBHSA-N 0 3 308.466 2.427 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000573985212 326112451 /nfs/dbraw/zinc/11/24/51/326112451.db2.gz NROUVCWJNFARHB-TZMCWYRMSA-N 0 3 300.406 2.112 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCC(=O)OC)CC1 ZINC000530763143 331624551 /nfs/dbraw/zinc/62/45/51/331624551.db2.gz SZKLVAFDOMFVPN-OAHLLOKOSA-N 0 3 322.449 2.241 20 30 DEEDHN N#CCC[C@H](C#N)CNCC1(N2CCOCC2)CCCCC1 ZINC000556481270 331707285 /nfs/dbraw/zinc/70/72/85/331707285.db2.gz LVSCWZFLBMYJQQ-MRXNPFEDSA-N 0 3 304.438 2.055 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)C[C@@H]1CSCCN1 ZINC000236657072 332201128 /nfs/dbraw/zinc/20/11/28/332201128.db2.gz JMWJKCNPSZGFGV-MRXNPFEDSA-N 0 3 304.459 2.339 20 30 DEEDHN CC(C)(CC#N)CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000563001702 333031573 /nfs/dbraw/zinc/03/15/73/333031573.db2.gz ZCBAXCMTJYFBHH-OAHLLOKOSA-N 0 3 301.390 2.022 20 30 DEEDHN N#CCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000185258893 333206507 /nfs/dbraw/zinc/20/65/07/333206507.db2.gz VRELPZMYAZCZTK-HNNXBMFYSA-N 0 3 309.373 2.182 20 30 DEEDHN N#CCOc1ccc(/C=C\C(=O)NCCN2CCCCC2)cc1 ZINC000221927093 333380929 /nfs/dbraw/zinc/38/09/29/333380929.db2.gz PVPNLWFYOIVINJ-TWGQIWQCSA-N 0 3 313.401 2.204 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000112367994 334567093 /nfs/dbraw/zinc/56/70/93/334567093.db2.gz TUURAZWCONHJLY-XJKSGUPXSA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCCC)CCCC)CC1 ZINC000343768131 335191525 /nfs/dbraw/zinc/19/15/25/335191525.db2.gz SGEHTPHHQBXYER-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000583614919 335828292 /nfs/dbraw/zinc/82/82/92/335828292.db2.gz SVEUNSUWZLGVAF-ZACQAIPSSA-N 0 3 317.433 2.282 20 30 DEEDHN CCN(C[C@H](C)O)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000352195460 336200857 /nfs/dbraw/zinc/20/08/57/336200857.db2.gz QYIASUQEMDDXAF-KRIMKBQASA-N 0 3 309.454 2.008 20 30 DEEDHN C=CCOCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000354786803 336482210 /nfs/dbraw/zinc/48/22/10/336482210.db2.gz BZSSJERGQCORBW-UHFFFAOYSA-N 0 3 312.360 2.058 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2cc(C)ccc2F)CC1 ZINC000360746010 336721209 /nfs/dbraw/zinc/72/12/09/336721209.db2.gz NYFSPCCXGCRBPL-UHFFFAOYSA-N 0 3 306.381 2.280 20 30 DEEDHN C[C@H](CCNS(=O)(=O)CCC(C)(C)C#N)N1CCCCC1 ZINC000582305926 336906857 /nfs/dbraw/zinc/90/68/57/336906857.db2.gz UYKOHYBTBWKJHH-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN C[C@H](N[C@H]1CCO[C@@H]1c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000582396376 336957640 /nfs/dbraw/zinc/95/76/40/336957640.db2.gz ZLQJIMKBYUXWMV-CWRNSKLLSA-N 0 3 313.401 2.057 20 30 DEEDHN COC(=O)c1cccc(CN2CCN(C)C[C@@H]2C(C)C)c1C#N ZINC000582542745 337107183 /nfs/dbraw/zinc/10/71/83/337107183.db2.gz WPKLEHCXCSSTKH-QGZVFWFLSA-N 0 3 315.417 2.117 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccsc1Br ZINC000424168005 337790550 /nfs/dbraw/zinc/79/05/50/337790550.db2.gz FMYGKEOOSNWHJS-SECBINFHSA-N 0 3 316.224 2.148 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)NCc1ccc(Cl)cc1 ZINC000429732736 338088670 /nfs/dbraw/zinc/08/86/70/338088670.db2.gz YKPQMLVBGQTHOA-UHFFFAOYSA-N 0 3 323.868 2.396 20 30 DEEDHN CC(C#N)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000496280997 340002140 /nfs/dbraw/zinc/00/21/40/340002140.db2.gz DZFJRZSJORSQJF-FDYHWXHSSA-N 0 3 309.410 2.391 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496366452 340003955 /nfs/dbraw/zinc/00/39/55/340003955.db2.gz UFENOSBGNCXRKH-ILXRZTDVSA-N 0 3 323.437 2.246 20 30 DEEDHN CCOC(=O)N(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000496405481 340004818 /nfs/dbraw/zinc/00/48/18/340004818.db2.gz ZAEAIDFYBWJFTN-AWEZNQCLSA-N 0 3 318.377 2.239 20 30 DEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)[C@@H]1CCC[C@H]1O ZINC000511583837 340331322 /nfs/dbraw/zinc/33/13/22/340331322.db2.gz GFQXNHJTOYUXOW-DSZOFWSKSA-N 0 3 321.465 2.151 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCS[C@H](C(C)C)C2)CC1 ZINC000173198353 340360174 /nfs/dbraw/zinc/36/01/74/340360174.db2.gz JMNZVKOMUATTDL-HNNXBMFYSA-N 0 3 311.495 2.420 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2c(F)cccc2OC)CC1 ZINC000174482249 340389535 /nfs/dbraw/zinc/38/95/35/340389535.db2.gz FFGWHMKAADNDTM-CYBMUJFWSA-N 0 3 318.392 2.357 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(CC#N)CC1)N1CCC(C)CC1 ZINC000542851585 341023646 /nfs/dbraw/zinc/02/36/46/341023646.db2.gz XOKPFNASGPJQOP-HNNXBMFYSA-N 0 3 306.454 2.442 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000076462747 341207827 /nfs/dbraw/zinc/20/78/27/341207827.db2.gz HSHOYZSFWMMAOZ-LJQANCHMSA-N 0 3 310.441 2.469 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1C[C@H](OC)C1(CC)CC ZINC000248841794 341388307 /nfs/dbraw/zinc/38/83/07/341388307.db2.gz QADDCXBMPRBKQL-ILXRZTDVSA-N 0 3 309.454 2.178 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC000248854689 341388648 /nfs/dbraw/zinc/38/86/48/341388648.db2.gz VODFIXVWYSKUAI-FVQBIDKESA-N 0 3 309.454 2.178 20 30 DEEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000249489547 341398258 /nfs/dbraw/zinc/39/82/58/341398258.db2.gz DUBMHYBJBKURDD-SQWLQELKSA-N 0 3 309.479 2.449 20 30 DEEDHN N#CCC[C@@H](C#N)CNCCCC(=O)N1Cc2ccccc2C1 ZINC000567726616 341630164 /nfs/dbraw/zinc/63/01/64/341630164.db2.gz MTOBHWXWMPPPDZ-HNNXBMFYSA-N 0 3 310.401 2.342 20 30 DEEDHN C=CCCC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001357066407 1152231236 /nfs/dbraw/zinc/23/12/36/1152231236.db2.gz AGPAIYMZCJIJGB-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@]23CCOC3)CCCC1 ZINC001378363494 1152305766 /nfs/dbraw/zinc/30/57/66/1152305766.db2.gz CFDRUCHPEIMSJQ-DZGCQCFKSA-N 0 3 312.841 2.184 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2cc[nH]n2)CCCC[C@H]1C ZINC001378410580 1152320283 /nfs/dbraw/zinc/32/02/83/1152320283.db2.gz FBFSTQLYXIVBSO-MLGOLLRUSA-N 0 3 324.856 2.359 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2cc[nH]n2)CCCC[C@@H]1C ZINC001378410576 1152320546 /nfs/dbraw/zinc/32/05/46/1152320546.db2.gz FBFSTQLYXIVBSO-BLLLJJGKSA-N 0 3 324.856 2.359 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](CC(=C)C)NC(C)=O ZINC001329935491 1149018591 /nfs/dbraw/zinc/01/85/91/1149018591.db2.gz CVZSZVPUPDGEDP-IAGOWNOFSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)Cc1ncccc1F ZINC001329936029 1149020198 /nfs/dbraw/zinc/02/01/98/1149020198.db2.gz GYWALQHFJIFEGM-OAHLLOKOSA-N 0 3 317.408 2.147 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001398752063 1161089529 /nfs/dbraw/zinc/08/95/29/1161089529.db2.gz JKMBHSWCQVJFNX-HUUCEWRRSA-N 0 3 315.889 2.296 20 30 DEEDHN C=C(Br)CNC[C@H](NC(=O)[C@@H](C)OC)C(C)(C)C ZINC001369538873 1149028872 /nfs/dbraw/zinc/02/88/72/1149028872.db2.gz HZRFMEBTCFAVJD-MNOVXSKESA-N 0 3 321.259 2.050 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCCC2CCOCC2)C1 ZINC001329998046 1149030343 /nfs/dbraw/zinc/03/03/43/1149030343.db2.gz AVIMWWQZQQEKFV-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H]1[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001330294687 1149087532 /nfs/dbraw/zinc/08/75/32/1149087532.db2.gz WFZNCVYPLJOQAZ-OSYLJGHBSA-N 0 3 312.388 2.033 20 30 DEEDHN COC(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(F)c1 ZINC000331069261 533953364 /nfs/dbraw/zinc/95/33/64/533953364.db2.gz RFWDIZHWTWMOGD-CMPLNLGQSA-N 0 3 308.353 2.400 20 30 DEEDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@@H]1N(C)C ZINC000413198232 534012296 /nfs/dbraw/zinc/01/22/96/534012296.db2.gz BWCAKSLVIYUWHW-LSDHHAIUSA-N 0 3 320.418 2.257 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CCN1C ZINC000330887959 534104021 /nfs/dbraw/zinc/10/40/21/534104021.db2.gz AJKCYXAKPODVCK-BBRMVZONSA-N 0 3 317.458 2.390 20 30 DEEDHN CC(C)C(=O)NCC1CC(NCc2ccc(C#N)cc2F)C1 ZINC001401596575 1162040529 /nfs/dbraw/zinc/04/05/29/1162040529.db2.gz MVYWXODLIGPXAD-UHFFFAOYSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001378848568 1152466981 /nfs/dbraw/zinc/46/69/81/1152466981.db2.gz YKVIODZVHNUVGO-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C[C@@H](Cn1cccn1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000330451758 534268813 /nfs/dbraw/zinc/26/88/13/534268813.db2.gz AGVRMQOPURNAMK-HNNXBMFYSA-N 0 3 321.469 2.239 20 30 DEEDHN C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CCN(CCC(C)(C)C)CC1 ZINC000330451758 534268814 /nfs/dbraw/zinc/26/88/14/534268814.db2.gz AGVRMQOPURNAMK-HNNXBMFYSA-N 0 3 321.469 2.239 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@H]1CCCN1CCCO)c1ccccc1 ZINC000452371613 534327261 /nfs/dbraw/zinc/32/72/61/534327261.db2.gz UDFXOALOEKYYBG-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN C[C@@H]1CSCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281090767 534485940 /nfs/dbraw/zinc/48/59/40/534485940.db2.gz BWVRZXZBMTYFDS-XJKSGUPXSA-N 0 3 313.426 2.452 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451671340 534574333 /nfs/dbraw/zinc/57/43/33/534574333.db2.gz FNENDTGCOFSXBY-CABCVRRESA-N 0 3 319.361 2.165 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000450640713 534581370 /nfs/dbraw/zinc/58/13/70/534581370.db2.gz YDHHWPSOGNGBBU-HPBDAGMYSA-N 0 3 314.429 2.214 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000451605949 534607538 /nfs/dbraw/zinc/60/75/38/534607538.db2.gz LREUFYVLDXIGFE-RYRKJORJSA-N 0 3 300.402 2.187 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000451603829 534610214 /nfs/dbraw/zinc/61/02/14/534610214.db2.gz DXIXUDONSFWIRN-DFBGVHRSSA-N 0 3 308.809 2.278 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000451602257 534610593 /nfs/dbraw/zinc/61/05/93/534610593.db2.gz WXYWRJNCEAFJHV-WQVCFCJDSA-N 0 3 306.381 2.106 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CNc1ccc(C#N)cc1 ZINC000339212081 524611312 /nfs/dbraw/zinc/61/13/12/524611312.db2.gz NUHMARXFXPYHOA-GJZGRUSLSA-N 0 3 314.433 2.207 20 30 DEEDHN N#Cc1ccnc(N2CCN(CC[C@H]3CCCCO3)CC2)c1 ZINC000332532430 534822858 /nfs/dbraw/zinc/82/28/58/534822858.db2.gz HNFJFJAOFHWQRL-MRXNPFEDSA-N 0 3 300.406 2.034 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccccc1C#N ZINC000245751345 525561466 /nfs/dbraw/zinc/56/14/66/525561466.db2.gz BUTTTXAULGZJKZ-GUDXXQAFSA-N 0 3 313.401 2.432 20 30 DEEDHN CC#CCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000292377332 526373782 /nfs/dbraw/zinc/37/37/82/526373782.db2.gz KQRFNGFOJFJAJN-KRWDZBQOSA-N 0 3 315.417 2.155 20 30 DEEDHN CNC(=O)c1cccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000330568955 526408891 /nfs/dbraw/zinc/40/88/91/526408891.db2.gz XDYOLGCMZOHDJP-ZDUSSCGKSA-N 0 3 317.433 2.423 20 30 DEEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2c(C)noc2C)CC1 ZINC000287912397 526431353 /nfs/dbraw/zinc/43/13/53/526431353.db2.gz ZQQISFKFNFGGNN-UHFFFAOYSA-N 0 3 320.437 2.476 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000448143035 526585588 /nfs/dbraw/zinc/58/55/88/526585588.db2.gz RKQNUVVZDYIOSU-NVXWUHKLSA-N 0 3 323.481 2.362 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000341087992 526593432 /nfs/dbraw/zinc/59/34/32/526593432.db2.gz JKIXENYMMQSEFM-CVEARBPZSA-N 0 3 309.454 2.284 20 30 DEEDHN C#CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000297478674 526734547 /nfs/dbraw/zinc/73/45/47/526734547.db2.gz MFXBVNGXLXUPDP-HNNXBMFYSA-N 0 3 305.447 2.334 20 30 DEEDHN C#CCCOc1ccc(CN(CCOC)CCN(C)C)cc1 ZINC000289550859 526741341 /nfs/dbraw/zinc/74/13/41/526741341.db2.gz XQIYJKWEGAIWQQ-UHFFFAOYSA-N 0 3 304.434 2.099 20 30 DEEDHN C=CCOc1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422912920 526950574 /nfs/dbraw/zinc/95/05/74/526950574.db2.gz XKDYRZKAODZYJR-MSOLQXFVSA-N 0 3 302.418 2.108 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000341416219 526963095 /nfs/dbraw/zinc/96/30/95/526963095.db2.gz GTZGRNWNHISVJE-CABCVRRESA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCC(F)(F)C(=O)NCc1ccccc1OCCN(C)C ZINC000293003327 527036571 /nfs/dbraw/zinc/03/65/71/527036571.db2.gz NGBYJXPMBOCGAY-UHFFFAOYSA-N 0 3 312.360 2.455 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000294570397 527081614 /nfs/dbraw/zinc/08/16/14/527081614.db2.gz SKBDUIFARINORG-HIFRSBDPSA-N 0 3 308.447 2.286 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000188034224 527132387 /nfs/dbraw/zinc/13/23/87/527132387.db2.gz CDBLDGPXOUGGRP-HNNXBMFYSA-N 0 3 313.401 2.401 20 30 DEEDHN C=CC[C@H](CO)CNCc1cc(O)ccc1Br ZINC000341278351 527186442 /nfs/dbraw/zinc/18/64/42/527186442.db2.gz RMSUXZSWCQLDCY-JTQLQIEISA-N 0 3 300.196 2.429 20 30 DEEDHN C=CCc1cc(CN[C@@H](C(=O)NCC)C(C)C)cc(OC)c1O ZINC000339432095 527244257 /nfs/dbraw/zinc/24/42/57/527244257.db2.gz ZDHYMHIRCWSHFH-MRXNPFEDSA-N 0 3 320.433 2.380 20 30 DEEDHN CC(C)(NCC(=O)N(CCC#N)CCC#N)c1cccs1 ZINC000348359198 527289663 /nfs/dbraw/zinc/28/96/63/527289663.db2.gz MXQSLDOTKNCDMQ-UHFFFAOYSA-N 0 3 304.419 2.229 20 30 DEEDHN C=CCn1c(CCCC)nnc1N1CCN(CC2CC2)CC1 ZINC000337845308 527318004 /nfs/dbraw/zinc/31/80/04/527318004.db2.gz HADONSJCEXQBLV-UHFFFAOYSA-N 0 3 303.454 2.339 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248515773 527341952 /nfs/dbraw/zinc/34/19/52/527341952.db2.gz GJTBMMGKEISHKI-KCQAQPDRSA-N 0 3 305.447 2.452 20 30 DEEDHN CC(=O)c1cccc(C(=O)N(CCC#N)CCCN(C)C)c1 ZINC000268778707 527349499 /nfs/dbraw/zinc/34/94/99/527349499.db2.gz CFKIEMPOYIWPJK-UHFFFAOYSA-N 0 3 301.390 2.197 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)OC)c1ccccc1F ZINC000448509660 527574152 /nfs/dbraw/zinc/57/41/52/527574152.db2.gz HELQSXZHNCHQEK-INIZCTEOSA-N 0 3 308.397 2.480 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245589776 527635480 /nfs/dbraw/zinc/63/54/80/527635480.db2.gz KKEPMLANDZVWEQ-YESZJQIVSA-N 0 3 316.449 2.355 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccncn1)C(C)C ZINC000194040273 527649961 /nfs/dbraw/zinc/64/99/61/527649961.db2.gz SEXONYLIEIUXJL-CQSZACIVSA-N 0 3 303.410 2.297 20 30 DEEDHN CCN(CCC#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000429108274 528369181 /nfs/dbraw/zinc/36/91/81/528369181.db2.gz FSODYLVRLWXLMB-UHFFFAOYSA-N 0 3 304.394 2.394 20 30 DEEDHN CC[NH+]=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261794036 528817486 /nfs/dbraw/zinc/81/74/86/528817486.db2.gz OTFMWZCEEPQYMM-HUUCEWRRSA-N 0 3 323.412 2.400 20 30 DEEDHN CCN1CCC[C@H]1CN(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000338078994 529095831 /nfs/dbraw/zinc/09/58/31/529095831.db2.gz VTGDKJGPBZQOBG-KRWDZBQOSA-N 0 3 317.408 2.303 20 30 DEEDHN CN1CCC2(CCCN2C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000375147609 536348426 /nfs/dbraw/zinc/34/84/26/536348426.db2.gz DJHOCEARDHTYDP-UHFFFAOYSA-N 0 3 301.365 2.398 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1(C)C ZINC000451501705 536816135 /nfs/dbraw/zinc/81/61/35/536816135.db2.gz GZDFDCRDDZYNOB-KAHPBISDSA-N 0 3 309.454 2.078 20 30 DEEDHN C=CCOCCN1CCCC2(CN(C(=O)c3ccco3)C2)C1 ZINC001330474235 1149151806 /nfs/dbraw/zinc/15/18/06/1149151806.db2.gz DRSLUYIJDJALCK-UHFFFAOYSA-N 0 3 304.390 2.020 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835339529 649908546 /nfs/dbraw/zinc/90/85/46/649908546.db2.gz FOOFJWKRSJQASH-BXUZGUMPSA-N 0 3 324.327 2.105 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccccc4n3C)[C@@H]2C1 ZINC000978655225 634384907 /nfs/dbraw/zinc/38/49/07/634384907.db2.gz MWRIQQWJUCARDE-OSYLJGHBSA-N 0 3 321.424 2.109 20 30 DEEDHN C[C@@H]([NH2+]CCCSCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824592264 608492270 /nfs/dbraw/zinc/49/22/70/608492270.db2.gz LAWIBSLZQYKEGH-LLVKDONJSA-N 0 3 302.407 2.164 20 30 DEEDHN C[C@@H]([NH2+]CCCSCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824592264 608492271 /nfs/dbraw/zinc/49/22/71/608492271.db2.gz LAWIBSLZQYKEGH-LLVKDONJSA-N 0 3 302.407 2.164 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccnc3ccccc32)C1 ZINC001023474991 625286498 /nfs/dbraw/zinc/28/64/98/625286498.db2.gz MEVTTWYRHVTRJE-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001025225830 625283411 /nfs/dbraw/zinc/28/34/11/625283411.db2.gz HGOIXMHXMYZLDV-IAGOWNOFSA-N 0 3 313.445 2.426 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001023484902 625291383 /nfs/dbraw/zinc/29/13/83/625291383.db2.gz VUSLTTCLXQWCJI-AWEZNQCLSA-N 0 3 317.433 2.437 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3ccncc3n2)C1 ZINC001023492697 625296729 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C#CCN1CC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C[C@H]1C ZINC000947569152 625334192 /nfs/dbraw/zinc/33/41/92/625334192.db2.gz SSFQJJHGYIMOAG-UKRRQHHQSA-N 0 3 320.383 2.418 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001023667698 625379705 /nfs/dbraw/zinc/37/97/05/625379705.db2.gz HOINKAAVIXSOQU-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnn(CCC)c2C)C1 ZINC001023671032 625381225 /nfs/dbraw/zinc/38/12/25/625381225.db2.gz BDUGJUSAFLHOBV-INIZCTEOSA-N 0 3 316.449 2.067 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccnc(F)c2)C1 ZINC001025363990 625381648 /nfs/dbraw/zinc/38/16/48/625381648.db2.gz DVGGZBPZWFMEOO-DZGCQCFKSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001023683089 625387073 /nfs/dbraw/zinc/38/70/73/625387073.db2.gz NJTDCDIYXSFTIS-HNNXBMFYSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccncc2F)C1 ZINC001025379396 625392051 /nfs/dbraw/zinc/39/20/51/625392051.db2.gz 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/nfs/dbraw/zinc/42/13/45/625421345.db2.gz KZJKTIOVCZJKMU-HNNXBMFYSA-N 0 3 316.449 2.022 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2nccc3cccnc32)C1 ZINC001025442694 625437765 /nfs/dbraw/zinc/43/77/65/625437765.db2.gz MWHFVLQGCKJWRZ-GOEBONIOSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001025448016 625443692 /nfs/dbraw/zinc/44/36/92/625443692.db2.gz MVPKEOCOROZDBA-UKRRQHHQSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001025448017 625443860 /nfs/dbraw/zinc/44/38/60/625443860.db2.gz MVPKEOCOROZDBA-ZFWWWQNUSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001025449442 625445428 /nfs/dbraw/zinc/44/54/28/625445428.db2.gz WCVZCHYWUCROCI-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001025455281 625449491 /nfs/dbraw/zinc/44/94/91/625449491.db2.gz AWBMXUOBRFGBGY-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001025462009 625455938 /nfs/dbraw/zinc/45/59/38/625455938.db2.gz ZRGMDLRUNUCENT-GOEBONIOSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(COC)cs2)C1 ZINC001025475256 625467065 /nfs/dbraw/zinc/46/70/65/625467065.db2.gz SEVNIBGADYSPPG-DZGCQCFKSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3ncccc3o2)C1 ZINC001025484455 625476379 /nfs/dbraw/zinc/47/63/79/625476379.db2.gz DQSYFUMKIQGHCW-ZIAGYGMSSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001025486350 625477695 /nfs/dbraw/zinc/47/76/95/625477695.db2.gz UAOUAPOTXHHLLU-NVXWUHKLSA-N 0 3 313.445 2.470 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ocnc2C2CC2)C1 ZINC001025526770 625509094 /nfs/dbraw/zinc/50/90/94/625509094.db2.gz BFHKOJFGSOXALV-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2nccc3[nH]ccc32)C1 ZINC001025535059 625517841 /nfs/dbraw/zinc/51/78/41/625517841.db2.gz 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625567050 /nfs/dbraw/zinc/56/70/50/625567050.db2.gz HZQFCAWSSIDNCM-JTQLQIEISA-N 0 3 313.195 2.374 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892769484 625568053 /nfs/dbraw/zinc/56/80/53/625568053.db2.gz ZIPKCSXLKQHADP-KUHUBIRLSA-N 0 3 311.429 2.337 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC000969118050 622572571 /nfs/dbraw/zinc/57/25/71/622572571.db2.gz CSRSKMLYUYCHID-HNNXBMFYSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001020401212 622592898 /nfs/dbraw/zinc/59/28/98/622592898.db2.gz XHROOBIZWVKJNB-XYPYZODXSA-N 0 3 305.765 2.431 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC000969160393 622598144 /nfs/dbraw/zinc/59/81/44/622598144.db2.gz AQPALOJMMZGZFA-MRXNPFEDSA-N 0 3 316.449 2.308 20 30 DEEDHN CN(C)Cc1ccc(-c2noc([C@@]3(C#N)CCCOC3)n2)cc1 ZINC000866850237 622606766 /nfs/dbraw/zinc/60/67/66/622606766.db2.gz XYKQNPSONITRDT-QGZVFWFLSA-N 0 3 312.373 2.370 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001020427790 622627996 /nfs/dbraw/zinc/62/79/96/622627996.db2.gz VSJUBBVPVMRDOJ-HAQNSBGRSA-N 0 3 320.780 2.273 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)n(C)n2)C[C@H]1C ZINC000947370953 622637445 /nfs/dbraw/zinc/63/74/45/622637445.db2.gz WWFZQWYRSIOQOD-OCCSQVGLSA-N 0 3 302.422 2.066 20 30 DEEDHN C[C@]1(NC(=O)c2ccc(Cl)c(C#N)c2)CN2CCC1CC2 ZINC000892780323 625589036 /nfs/dbraw/zinc/58/90/36/625589036.db2.gz RYMOIGCWWBQLNT-INIZCTEOSA-N 0 3 303.793 2.426 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001008512351 625591023 /nfs/dbraw/zinc/59/10/23/625591023.db2.gz QMGQROAWDMDKOA-OAHLLOKOSA-N 0 3 319.453 2.095 20 30 DEEDHN Cc1ccccc1CN1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463284 622784930 /nfs/dbraw/zinc/78/49/30/622784930.db2.gz MQOOPCDYJJJSBK-CQSZACIVSA-N 0 3 322.412 2.445 20 30 DEEDHN Cc1ccccc1CN1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969527442 622808503 /nfs/dbraw/zinc/80/85/03/622808503.db2.gz 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623105955 /nfs/dbraw/zinc/10/59/55/623105955.db2.gz QAPAIBTXOKSDIP-BXUZGUMPSA-N 0 3 301.415 2.110 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001020824441 623138567 /nfs/dbraw/zinc/13/85/67/623138567.db2.gz BTNURTUKBIWRRO-HDJSIYSDSA-N 0 3 310.829 2.142 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000970134868 623166872 /nfs/dbraw/zinc/16/68/72/623166872.db2.gz PPBWEYZQOIHQIH-LBPRGKRZSA-N 0 3 303.406 2.046 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001020877882 623171396 /nfs/dbraw/zinc/17/13/96/623171396.db2.gz NWYWQBBKPQOPIP-KBUPBQIOSA-N 0 3 314.857 2.427 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](NCC(=C)Cl)C1 ZINC001020907185 623184830 /nfs/dbraw/zinc/18/48/30/623184830.db2.gz VTEKJPLXAKCJKM-JOCQHMNTSA-N 0 3 321.808 2.249 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2C)C(C)(C)C1 ZINC000972863914 625638843 /nfs/dbraw/zinc/63/88/43/625638843.db2.gz QWUPROQUOTXCOJ-GFCCVEGCSA-N 0 3 310.829 2.219 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000970220702 623344102 /nfs/dbraw/zinc/34/41/02/623344102.db2.gz PVPQICYHCXGEFK-CQSZACIVSA-N 0 3 311.429 2.341 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001021118812 623357806 /nfs/dbraw/zinc/35/78/06/623357806.db2.gz OQKBPAHWENBKHC-XUXIUFHCSA-N 0 3 300.830 2.181 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3ncccc3s2)C1 ZINC000970263398 623366839 /nfs/dbraw/zinc/36/68/39/623366839.db2.gz FHCVJKAVAUXXFJ-LBPRGKRZSA-N 0 3 313.426 2.370 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cnc3ccsc3c2)C1 ZINC000970271562 623370459 /nfs/dbraw/zinc/37/04/59/623370459.db2.gz SGQSTHJVALMIHV-GFCCVEGCSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000970365707 623420633 /nfs/dbraw/zinc/42/06/33/623420633.db2.gz FDBBBMVHKUIWEP-ZDUSSCGKSA-N 0 3 318.465 2.344 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC001025615222 625648025 /nfs/dbraw/zinc/64/80/25/625648025.db2.gz 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)C1 ZINC001022452496 624672316 /nfs/dbraw/zinc/67/23/16/624672316.db2.gz NDWSTBAIYUSKER-ADGXKJENSA-N 0 3 322.840 2.065 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000247587335 624694365 /nfs/dbraw/zinc/69/43/65/624694365.db2.gz ZUOQUJQVNAIOQQ-GMTAPVOTSA-N 0 3 306.312 2.302 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2ccc(OC)c(F)c2)C1 ZINC000971930986 624720839 /nfs/dbraw/zinc/72/08/39/624720839.db2.gz HQEUJUCRFSNXIR-HNNXBMFYSA-N 0 3 320.408 2.486 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001022583827 624758102 /nfs/dbraw/zinc/75/81/02/624758102.db2.gz OGONBGHTDRGWLL-QLFBSQMISA-N 0 3 319.836 2.491 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC000971998280 624762626 /nfs/dbraw/zinc/76/26/26/624762626.db2.gz OTAIDKPOJFRPMQ-ZDUSSCGKSA-N 0 3 300.362 2.002 20 30 DEEDHN N#CC(C(=O)C=Cc1cccnc1)c1nnc2n1CCCCC2 ZINC000255457668 624773322 /nfs/dbraw/zinc/77/33/22/624773322.db2.gz 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001022760655 624898917 /nfs/dbraw/zinc/89/89/17/624898917.db2.gz HGCSXNVJNFPEIF-IYBDPMFKSA-N 0 3 304.821 2.391 20 30 DEEDHN C#C[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1OC ZINC000934510508 624899052 /nfs/dbraw/zinc/89/90/52/624899052.db2.gz XGRYIKHESNZRGZ-IAGOWNOFSA-N 0 3 303.402 2.060 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](N(C)CCn3cccn3)C2)CC1 ZINC000972238773 624900705 /nfs/dbraw/zinc/90/07/05/624900705.db2.gz OQEQLQQLQGMFGO-QGZVFWFLSA-N 0 3 316.449 2.162 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(COC)c2)C1 ZINC000972295761 624918257 /nfs/dbraw/zinc/91/82/57/624918257.db2.gz JIJSJRWFRCODMC-OAHLLOKOSA-N 0 3 306.381 2.304 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001024738560 625026813 /nfs/dbraw/zinc/02/68/13/625026813.db2.gz ABWLKHLPDHPLBA-OAHLLOKOSA-N 0 3 316.449 2.151 20 30 DEEDHN CCNC(NCc1cc(Br)ccc1[O-])=[NH+]CC ZINC000849027845 625032834 /nfs/dbraw/zinc/03/28/34/625032834.db2.gz KQGJXIFELIVKTK-UHFFFAOYSA-N 0 3 300.200 2.230 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001024753814 625037491 /nfs/dbraw/zinc/03/74/91/625037491.db2.gz HTRATXBJYZBKOL-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001024791138 625057813 /nfs/dbraw/zinc/05/78/13/625057813.db2.gz VMGVODPTUODCQH-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC001024828966 625070944 /nfs/dbraw/zinc/07/09/44/625070944.db2.gz REMSWZZGCSYSMV-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)cn2C)C[C@H]1C ZINC000947519346 625078290 /nfs/dbraw/zinc/07/82/90/625078290.db2.gz DYSWVXKWCWIOFP-OCCSQVGLSA-N 0 3 307.825 2.285 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2CN(C/C=C/Cl)C[C@@H]12 ZINC000978842594 634433370 /nfs/dbraw/zinc/43/33/70/634433370.db2.gz QLJBAHXNOCKVKH-UIOLXHAGSA-N 0 3 324.852 2.014 20 30 DEEDHN CCc1onc(C)c1CNC[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001024898989 625100321 /nfs/dbraw/zinc/10/03/21/625100321.db2.gz QIXJYGOITBGJQA-GXTWGEPZSA-N 0 3 318.421 2.176 20 30 DEEDHN Cc1cccnc1CNC[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001024902745 625101880 /nfs/dbraw/zinc/10/18/80/625101880.db2.gz ZNQDXNFHYQIVCH-LSDHHAIUSA-N 0 3 300.406 2.020 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892550276 625141248 /nfs/dbraw/zinc/14/12/48/625141248.db2.gz DUCOTDKSEHUYBA-CHWSQXEVSA-N 0 3 313.357 2.078 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nncc3ccccc32)C[C@H]1C ZINC000947536534 625142791 /nfs/dbraw/zinc/14/27/91/625142791.db2.gz HGGVFPSICRMASK-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN CN1CC[C@@H](NC[C@H](O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000930519831 625155933 /nfs/dbraw/zinc/15/59/33/625155933.db2.gz VBIGPGBUSJBIKQ-KCPJHIHWSA-N 0 3 311.788 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001023117724 625161782 /nfs/dbraw/zinc/16/17/82/625161782.db2.gz YWNNFNWEVLLYEM-TXEJJXNPSA-N 0 3 309.797 2.007 20 30 DEEDHN C#Cc1ccc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000934932101 625162663 /nfs/dbraw/zinc/16/26/63/625162663.db2.gz CJEBCVQKPORWJT-HUUCEWRRSA-N 0 3 303.431 2.177 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000725806357 625176713 /nfs/dbraw/zinc/17/67/13/625176713.db2.gz WZTMHKSCQRJVPI-CQSZACIVSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC000972544245 625216025 /nfs/dbraw/zinc/21/60/25/625216025.db2.gz JOARVASTTRFGBS-QGZVFWFLSA-N 0 3 310.401 2.409 20 30 DEEDHN CCC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccn1 ZINC000180871955 625232410 /nfs/dbraw/zinc/23/24/10/625232410.db2.gz JIHPTCVLDBKAIS-WPCFGXOUSA-N 0 3 314.389 2.039 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3cccnc3n2)C1 ZINC001023382086 625245993 /nfs/dbraw/zinc/24/59/93/625245993.db2.gz YSNVJIIDTKEOCM-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2c(F)cccc2OC)C1 ZINC001023389242 625247880 /nfs/dbraw/zinc/24/78/80/625247880.db2.gz VNFGFAQYTKERKR-CYBMUJFWSA-N 0 3 306.381 2.462 20 30 DEEDHN C=C1CCC(CNC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000926539653 625265401 /nfs/dbraw/zinc/26/54/01/625265401.db2.gz HSMMXTOSPYKNHY-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ncoc1C ZINC001025208651 625266907 /nfs/dbraw/zinc/26/69/07/625266907.db2.gz XNZFQQSTKDCAKW-HZPDHXFCSA-N 0 3 315.417 2.465 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ncccc1C ZINC001025220864 625278094 /nfs/dbraw/zinc/27/80/94/625278094.db2.gz KHOWRECKMPYYSV-IRXDYDNUSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ncccc1C ZINC001025220863 625278428 /nfs/dbraw/zinc/27/84/28/625278428.db2.gz KHOWRECKMPYYSV-IAGOWNOFSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001024438042 625774363 /nfs/dbraw/zinc/77/43/63/625774363.db2.gz FCRJDEXCIFDUCO-HNNXBMFYSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2coc(C3CCCCC3)n2)C1 ZINC001019854127 625840539 /nfs/dbraw/zinc/84/05/39/625840539.db2.gz OFPCKOZINSCDFE-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCSCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892991302 625849497 /nfs/dbraw/zinc/84/94/97/625849497.db2.gz GFQSSENTPGDFEZ-UHFFFAOYSA-N 0 3 324.450 2.223 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001024542997 625860325 /nfs/dbraw/zinc/86/03/25/625860325.db2.gz DTGMOCCULLWZAK-INIZCTEOSA-N 0 3 314.433 2.009 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892492574 625889584 /nfs/dbraw/zinc/88/95/84/625889584.db2.gz VRHIHKIUDUUIAF-ZFWWWQNUSA-N 0 3 318.417 2.493 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892492572 625889936 /nfs/dbraw/zinc/88/99/36/625889936.db2.gz VRHIHKIUDUUIAF-HIFRSBDPSA-N 0 3 318.417 2.493 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001024574520 625897724 /nfs/dbraw/zinc/89/77/24/625897724.db2.gz ADBDCAOTZXIFEM-HNNXBMFYSA-N 0 3 300.402 2.376 20 30 DEEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)NC(C)C ZINC000892498931 625905214 /nfs/dbraw/zinc/90/52/14/625905214.db2.gz PIONWRJBAIHXRS-GFCCVEGCSA-N 0 3 319.430 2.495 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3oc(CC)cc3C)[C@@H]2C1 ZINC000978962610 634465919 /nfs/dbraw/zinc/46/59/19/634465919.db2.gz QSXWQKGAXHHQJP-PHZGNYQRSA-N 0 3 300.402 2.081 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(CF)cc3)[C@@H]2C1 ZINC000979117207 634500573 /nfs/dbraw/zinc/50/05/73/634500573.db2.gz ODIGSLDNWZHPSM-OSYLJGHBSA-N 0 3 300.377 2.087 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnc3n2CCCC3)C1 ZINC000999291551 634547189 /nfs/dbraw/zinc/54/71/89/634547189.db2.gz CPSIJPUSBCFBSG-UHFFFAOYSA-N 0 3 322.840 2.165 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccnc(OCC)c2)C1 ZINC000999380331 634574592 /nfs/dbraw/zinc/57/45/92/634574592.db2.gz PRQMDTRLMUMZJA-UHFFFAOYSA-N 0 3 323.824 2.425 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccn(C(C)C)n2)C1 ZINC000999498316 634609977 /nfs/dbraw/zinc/60/99/77/634609977.db2.gz NQTVYYUKRNTTBA-UHFFFAOYSA-N 0 3 310.829 2.409 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cn2ccnc2C(C)C)C1 ZINC000999491425 634619895 /nfs/dbraw/zinc/61/98/95/634619895.db2.gz ULWAHULLONJUJX-UHFFFAOYSA-N 0 3 324.856 2.338 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC000999875223 634697880 /nfs/dbraw/zinc/69/78/80/634697880.db2.gz DWCCALRHKVNGGP-MRXNPFEDSA-N 0 3 316.449 2.468 20 30 DEEDHN CC(C)c1nc2n(n1)C[C@@H](NCc1csc(C#N)c1)CC2 ZINC000921701772 634784803 /nfs/dbraw/zinc/78/48/03/634784803.db2.gz HNJCKSWLHBMKBT-LBPRGKRZSA-N 0 3 301.419 2.439 20 30 DEEDHN C=CCC1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000836283748 650075429 /nfs/dbraw/zinc/07/54/29/650075429.db2.gz NHBNABVZHUCIQT-HOTGVXAUSA-N 0 3 321.465 2.285 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000836490057 650097513 /nfs/dbraw/zinc/09/75/13/650097513.db2.gz FABBDNQDJSGLFO-SFHVURJKSA-N 0 3 313.445 2.449 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001024722609 632948712 /nfs/dbraw/zinc/94/87/12/632948712.db2.gz XRTWVVZBEZNZKS-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000974584780 633164759 /nfs/dbraw/zinc/16/47/59/633164759.db2.gz RPQSKIKMERQPLS-INIZCTEOSA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(F)cccc2OC)C(C)(C)C1 ZINC000974620773 633187066 /nfs/dbraw/zinc/18/70/66/633187066.db2.gz NLTUVWUEOQYTEP-OAHLLOKOSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001028231383 635929187 /nfs/dbraw/zinc/92/91/87/635929187.db2.gz MFOGRKYLIRKGOZ-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCSc2nccs2)CC1 ZINC000733893482 633297542 /nfs/dbraw/zinc/29/75/42/633297542.db2.gz YYUIWVPCBCSZLW-UHFFFAOYSA-N 0 3 323.487 2.087 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)nc2)C(C)(C)C1 ZINC000974792103 633302136 /nfs/dbraw/zinc/30/21/36/633302136.db2.gz STEWHHMKPDDCTR-CQSZACIVSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C(C)(C)C1 ZINC000974795589 633303452 /nfs/dbraw/zinc/30/34/52/633303452.db2.gz HKKIEIOMVGWHGX-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cc(=O)oc2C)C(C)(C)C1 ZINC000974798320 633311136 /nfs/dbraw/zinc/31/11/36/633311136.db2.gz PXQBBDMDPLMSNC-AWEZNQCLSA-N 0 3 318.417 2.273 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CNCc3ocnc3C)C2)cc1 ZINC001026984294 633327345 /nfs/dbraw/zinc/32/73/45/633327345.db2.gz NVMWNZOGOVUICT-MRXNPFEDSA-N 0 3 323.396 2.216 20 30 DEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)O ZINC000734149729 633334562 /nfs/dbraw/zinc/33/45/62/633334562.db2.gz HTDJXFBKOLFVOU-NSHDSACASA-N 0 3 317.414 2.175 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNCc2nccn2CC)C1 ZINC001027037850 633371727 /nfs/dbraw/zinc/37/17/27/633371727.db2.gz CSGQZJVZFKILDB-MAUKXSAKSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ncccc2F)C(C)(C)C1 ZINC000974965725 633379577 /nfs/dbraw/zinc/37/95/77/633379577.db2.gz OXMHWQMFSZBXHX-OAHLLOKOSA-N 0 3 305.397 2.166 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(N[C@@H](C)c3cnccn3)CC2)C1 ZINC000996972913 633549489 /nfs/dbraw/zinc/54/94/89/633549489.db2.gz BBZWHEWLGVOPPN-AWEZNQCLSA-N 0 3 314.433 2.475 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CCN(CC#CC)CC1 ZINC000997097992 633575800 /nfs/dbraw/zinc/57/58/00/633575800.db2.gz OHKSRGVUZJEAAQ-NXHRZFHOSA-N 0 3 318.461 2.208 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001028291586 636093929 /nfs/dbraw/zinc/09/39/29/636093929.db2.gz WDVUEOAVLXCLJW-OAHLLOKOSA-N 0 3 315.417 2.177 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)onc2C2CC2)CC1 ZINC000997229384 633680850 /nfs/dbraw/zinc/68/08/50/633680850.db2.gz VBCOCXNVDPUNRU-GFCCVEGCSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3nccnc32)CC1 ZINC000997365740 633716487 /nfs/dbraw/zinc/71/64/87/633716487.db2.gz UFBWLLKBGUDQPA-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2F)C1 ZINC001027422708 633761563 /nfs/dbraw/zinc/76/15/63/633761563.db2.gz MHQJRHVCXIRZQZ-GJZGRUSLSA-N 0 3 318.392 2.149 20 30 DEEDHN N#Cc1ccc(CN2CCN(CCCCCO)CC2)c(Cl)c1 ZINC000931494864 633809413 /nfs/dbraw/zinc/80/94/13/633809413.db2.gz VFTXQXMHCLQHKZ-UHFFFAOYSA-N 0 3 321.852 2.492 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccnc3ccccc32)C1 ZINC001027482406 633865956 /nfs/dbraw/zinc/86/59/56/633865956.db2.gz XLSBQQVEVRBCEV-OAHLLOKOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc3ncccc23)C1 ZINC001027488912 633877801 /nfs/dbraw/zinc/87/78/01/633877801.db2.gz HRJAUFSRALCIEN-KRWDZBQOSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc2c(cn1)CCCC2 ZINC000931512398 633880494 /nfs/dbraw/zinc/88/04/94/633880494.db2.gz YKCXUIGDXQSNQN-UHFFFAOYSA-N 0 3 300.406 2.037 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001027493550 633883923 /nfs/dbraw/zinc/88/39/23/633883923.db2.gz IXAZQYUZRXSPCL-FUHWJXTLSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001027494804 633888368 /nfs/dbraw/zinc/88/83/68/633888368.db2.gz KLIBEBDLMSGLRW-HOCLYGCPSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cncc3[nH]ccc32)CC1 ZINC000997659443 633916308 /nfs/dbraw/zinc/91/63/08/633916308.db2.gz ICCQOKLDMFOZQQ-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nncc3ccccc32)CC1 ZINC000997670305 633924410 /nfs/dbraw/zinc/92/44/10/633924410.db2.gz OPJMGEGIGLTUCV-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001027510766 633941573 /nfs/dbraw/zinc/94/15/73/633941573.db2.gz FXFWBWGKNFYYDZ-INIZCTEOSA-N 0 3 311.429 2.437 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC(C)C)cn2)[C@H](C)C1 ZINC000946309605 633954749 /nfs/dbraw/zinc/95/47/49/633954749.db2.gz CAWWWJGVIUYGMD-GDBMZVCRSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc3c2OCC3)CC1 ZINC000997762390 633966465 /nfs/dbraw/zinc/96/64/65/633966465.db2.gz KMSBRKIBMFIHCN-AWEZNQCLSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000997768640 633968538 /nfs/dbraw/zinc/96/85/38/633968538.db2.gz UCBVRLZRGIOCFV-JCGIZDLHSA-N 0 3 311.429 2.035 20 30 DEEDHN C#CCN1C[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C(C)(C)C1 ZINC000977452190 633991577 /nfs/dbraw/zinc/99/15/77/633991577.db2.gz QZNHZOJDYGRGRB-IRXDYDNUSA-N 0 3 319.493 2.101 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(CC)CC1(C)C ZINC000977441922 633996760 /nfs/dbraw/zinc/99/67/60/633996760.db2.gz UPIGLTFTNKTDFO-AWEZNQCLSA-N 0 3 303.406 2.107 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c(C)onc2CC)CC1 ZINC000997859928 634012845 /nfs/dbraw/zinc/01/28/45/634012845.db2.gz AGZZSPCUFZAYQZ-ZDUSSCGKSA-N 0 3 317.433 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@@H](C)C1 ZINC000946418896 634047592 /nfs/dbraw/zinc/04/75/92/634047592.db2.gz JWDUCFDDQQXXKX-AAEUAGOBSA-N 0 3 315.373 2.160 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3n(c2)CCCC3)[C@H](C)C1 ZINC000946418231 634047819 /nfs/dbraw/zinc/04/78/19/634047819.db2.gz AIMGDMFTISWZFA-CRAIPNDOSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ncoc2CC)CC1 ZINC000997949166 634073830 /nfs/dbraw/zinc/07/38/30/634073830.db2.gz LEXXWPIUPJVIEU-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000997956453 634078012 /nfs/dbraw/zinc/07/80/12/634078012.db2.gz LLJLIAARNUBZQB-UHFFFAOYSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000997957426 634079241 /nfs/dbraw/zinc/07/92/41/634079241.db2.gz XWVFXIIJYZRFLH-UHFFFAOYSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2oc(C)nc2C)CC1 ZINC000997962117 634080333 /nfs/dbraw/zinc/08/03/33/634080333.db2.gz SVNFJGFAFPGLMM-OAHLLOKOSA-N 0 3 303.406 2.241 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CNCc2cc(OC)no2)CC1 ZINC000997965759 634083283 /nfs/dbraw/zinc/08/32/83/634083283.db2.gz FQYSUOOIAUNUNG-UHFFFAOYSA-N 0 3 321.421 2.224 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)C(C)(C)C1 ZINC000977665577 634093240 /nfs/dbraw/zinc/09/32/40/634093240.db2.gz XPDQBROQBPMRAP-HOTGVXAUSA-N 0 3 318.465 2.464 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccn(C)c2)CC1 ZINC000997988660 634097657 /nfs/dbraw/zinc/09/76/57/634097657.db2.gz YVEVBJABIZKGMF-KRWDZBQOSA-N 0 3 301.434 2.365 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2c(C)cnn2C)CC1 ZINC000998089922 634137204 /nfs/dbraw/zinc/13/72/04/634137204.db2.gz RXDCDWXJQGETLO-MRXNPFEDSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2csc(C)n2)CC1 ZINC000998090756 634137336 /nfs/dbraw/zinc/13/73/36/634137336.db2.gz AOYFJUHRTQHYHA-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2conc2CC)CC1 ZINC000998117623 634145462 /nfs/dbraw/zinc/14/54/62/634145462.db2.gz SEATXDCCSFBCKF-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccn(C(C)C)n2)CC1 ZINC000998135430 634149625 /nfs/dbraw/zinc/14/96/25/634149625.db2.gz OGKDOIGSIRGBON-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN C=C(C)CN[C@H]1CN(C(=O)CSC)CC[C@@H]1C(F)(F)F ZINC000998216090 634171294 /nfs/dbraw/zinc/17/12/94/634171294.db2.gz 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C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC000980334738 634958620 /nfs/dbraw/zinc/95/86/20/634958620.db2.gz ZXWMLTLDWIKSEU-HZPDHXFCSA-N 0 3 302.418 2.481 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001027921133 634968169 /nfs/dbraw/zinc/96/81/69/634968169.db2.gz OQCCUXDHSSYMJE-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C[C@@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)c1ccon1 ZINC000980408703 634990162 /nfs/dbraw/zinc/99/01/62/634990162.db2.gz AIECDJDRTUBVHI-KGLIPLIRSA-N 0 3 324.384 2.187 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001027966447 635105014 /nfs/dbraw/zinc/10/50/14/635105014.db2.gz IBRDUMWSZLACBS-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C4CC4)no3)CC2)CC1 ZINC001000279125 635127838 /nfs/dbraw/zinc/12/78/38/635127838.db2.gz IBJRSGARWZQMBW-UHFFFAOYSA-N 0 3 313.401 2.160 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC001000286587 635129600 /nfs/dbraw/zinc/12/96/00/635129600.db2.gz 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/nfs/dbraw/zinc/36/15/69/635361569.db2.gz JWGPZSTZLRYXIA-VXGBXAGGSA-N 0 3 320.824 2.204 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001028062176 635399067 /nfs/dbraw/zinc/39/90/67/635399067.db2.gz MPLLBGMGJOXIGE-CYBMUJFWSA-N 0 3 301.415 2.447 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnc3n2CCCCC3)CC1 ZINC000981433490 635477264 /nfs/dbraw/zinc/47/72/64/635477264.db2.gz SKPIWJGWZSVCTF-UHFFFAOYSA-N 0 3 316.449 2.334 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccn(CC(C)C)n2)CC1 ZINC001001454120 635509944 /nfs/dbraw/zinc/50/99/44/635509944.db2.gz LOHYIKVOSOUYNK-UHFFFAOYSA-N 0 3 316.449 2.004 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ncccc2OCC)CC1 ZINC001001504662 635514466 /nfs/dbraw/zinc/51/44/66/635514466.db2.gz OIWFNKCXVSUBDG-UHFFFAOYSA-N 0 3 301.390 2.028 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C)cc(OC)c2C)CC1 ZINC001001594538 635530170 /nfs/dbraw/zinc/53/01/70/635530170.db2.gz IZVBQBGPGXHOQY-UHFFFAOYSA-N 0 3 314.429 2.387 20 30 DEEDHN N#Cc1cccc(CN2CCC(CNC(=O)c3cnco3)CC2)c1 ZINC001001693042 635541482 /nfs/dbraw/zinc/54/14/82/635541482.db2.gz RISMUXYYOKHFKG-UHFFFAOYSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001001766470 635550770 /nfs/dbraw/zinc/55/07/70/635550770.db2.gz GNEKDROSMAAKSR-KGLIPLIRSA-N 0 3 316.367 2.426 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C3CC3)no2)CC1 ZINC001001904099 635566972 /nfs/dbraw/zinc/56/69/72/635566972.db2.gz IERZGZFEDOITDA-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(OC)cc2Cl)CC1 ZINC001001944338 635580327 /nfs/dbraw/zinc/58/03/27/635580327.db2.gz VWTVBFAMGPZGSZ-UHFFFAOYSA-N 0 3 320.820 2.424 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CCN(CC#CC)CC1 ZINC001001933405 635583194 /nfs/dbraw/zinc/58/31/94/635583194.db2.gz JRDSYQQARFDGFO-ROUUACIJSA-N 0 3 318.461 2.209 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000981669342 635585422 /nfs/dbraw/zinc/58/54/22/635585422.db2.gz MLMFGDMWRPQSMB-CYBMUJFWSA-N 0 3 303.431 2.332 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3nc(C)ccc3o2)CC1 ZINC001002062726 635611306 /nfs/dbraw/zinc/61/13/06/635611306.db2.gz PNKGUTVNYBEWLC-UHFFFAOYSA-N 0 3 311.385 2.211 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccccc2OC)CC1 ZINC001002068522 635612392 /nfs/dbraw/zinc/61/23/92/635612392.db2.gz CVZGDAHWOWWGIL-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CCN(C[C@@H](F)CC)CC2)cn1 ZINC001002055222 635615421 /nfs/dbraw/zinc/61/54/21/635615421.db2.gz OAKQVISEOBLTCM-INIZCTEOSA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2nc(C)c(C)s2)CC1 ZINC001002140425 635630799 /nfs/dbraw/zinc/63/07/99/635630799.db2.gz NGYZXHABOXKMIO-UHFFFAOYSA-N 0 3 305.447 2.225 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccnn3CC(C)C)C2)C1 ZINC000981796384 635658336 /nfs/dbraw/zinc/65/83/36/635658336.db2.gz VNSKIWLNTMESSZ-UHFFFAOYSA-N 0 3 316.449 2.263 20 30 DEEDHN Cc1ccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cc1C#N ZINC000921881820 635665097 /nfs/dbraw/zinc/66/50/97/635665097.db2.gz VOJHTRMVYMBWMO-CQSZACIVSA-N 0 3 312.417 2.316 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1CCCCS1)C1CCN(C)CC1 ZINC000921904127 635691987 /nfs/dbraw/zinc/69/19/87/635691987.db2.gz FSNBHPKYSNPOAL-OAHLLOKOSA-N 0 3 309.479 2.011 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(OCC)no3)C2)C1 ZINC000981894677 635715224 /nfs/dbraw/zinc/71/52/24/635715224.db2.gz JZOBGJFVLKECBD-UHFFFAOYSA-N 0 3 319.405 2.187 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001028156499 635740849 /nfs/dbraw/zinc/74/08/49/635740849.db2.gz OYLROMXBNZIMHX-INIZCTEOSA-N 0 3 300.402 2.392 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001028171364 635768597 /nfs/dbraw/zinc/76/85/97/635768597.db2.gz FPLWRWRMRURSIA-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001028180781 635780707 /nfs/dbraw/zinc/78/07/07/635780707.db2.gz GIOAZESNEWYBQC-LBPRGKRZSA-N 0 3 308.813 2.209 20 30 DEEDHN Cn1ccc(CCNCc2cc(C#N)ccc2Br)n1 ZINC000921997873 635796557 /nfs/dbraw/zinc/79/65/57/635796557.db2.gz QWGDMGSKBOYDFP-UHFFFAOYSA-N 0 3 319.206 2.387 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001028204929 635822226 /nfs/dbraw/zinc/82/22/26/635822226.db2.gz DXCQWODBMZRHAT-GOEBONIOSA-N 0 3 300.402 2.319 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CC[C@@H]3CCCCO3)C2)C1 ZINC000982039449 635838245 /nfs/dbraw/zinc/83/82/45/635838245.db2.gz CJNRLKNYLBTXLD-INIZCTEOSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3nc(CC)oc3C)C2)C1 ZINC000982067629 635854326 /nfs/dbraw/zinc/85/43/26/635854326.db2.gz GPUSRGZBUDMSHQ-UHFFFAOYSA-N 0 3 303.406 2.269 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3CC(F)(F)C3)C[C@]2(C)C1 ZINC000982252261 635924217 /nfs/dbraw/zinc/92/42/17/635924217.db2.gz JMQSCJIJJKSTMZ-IYBDPMFKSA-N 0 3 310.388 2.225 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)C(F)(F)F)CCO2 ZINC000949162290 635937845 /nfs/dbraw/zinc/93/78/45/635937845.db2.gz SSYHVRGHDODLOU-GFCCVEGCSA-N 0 3 320.355 2.064 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[C@@H](CC)O3)C[C@]2(C)C1 ZINC000982291511 635951341 /nfs/dbraw/zinc/95/13/41/635951341.db2.gz 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641220059 /nfs/dbraw/zinc/22/00/59/641220059.db2.gz QVWSLZNHMGHJMH-OLZOCXBDSA-N 0 3 302.443 2.453 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000989811420 641238957 /nfs/dbraw/zinc/23/89/57/641238957.db2.gz UURKPGHLUVPGQK-UHFFFAOYSA-N 0 3 315.373 2.257 20 30 DEEDHN C#CCN(CC#C)Cc1ccccc1N1CCN(CCC)CC1 ZINC000769440949 641239825 /nfs/dbraw/zinc/23/98/25/641239825.db2.gz CYFSUNVDQAODSR-UHFFFAOYSA-N 0 3 309.457 2.287 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CCC[C@H]2CN2CCCC2)s1 ZINC000771010900 641448961 /nfs/dbraw/zinc/44/89/61/641448961.db2.gz CIBQPRRIGCPEGV-ZDUSSCGKSA-N 0 3 320.462 2.441 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)C[C@H]1C ZINC000947842859 641576256 /nfs/dbraw/zinc/57/62/56/641576256.db2.gz WZAIEUZRMSNNLX-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C#Cc1ccc(NC2CCN(CCCC(=O)OC)CC2)cc1 ZINC000898498888 641683447 /nfs/dbraw/zinc/68/34/47/641683447.db2.gz NEJXJCGKOYPGNQ-UHFFFAOYSA-N 0 3 300.402 2.497 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1scnc1C ZINC000842283838 650692528 /nfs/dbraw/zinc/69/25/28/650692528.db2.gz FZGOOEMPGUOHHV-LBPRGKRZSA-N 0 3 307.419 2.399 20 30 DEEDHN CCCN1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000842294768 650698013 /nfs/dbraw/zinc/69/80/13/650698013.db2.gz WNVAPMJYWGYOLO-NWDGAFQWSA-N 0 3 311.341 2.263 20 30 DEEDHN COCC(C)(C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000842343393 650714089 /nfs/dbraw/zinc/71/40/89/650714089.db2.gz XQIBRAWIENGSRC-HNNXBMFYSA-N 0 3 316.401 2.417 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(F)c1)[C@@H]1CCCO1 ZINC000775572517 642061360 /nfs/dbraw/zinc/06/13/60/642061360.db2.gz BIDUEQVTOKOHRC-RCBQFDQVSA-N 0 3 304.365 2.313 20 30 DEEDHN CN(C)Cc1ccccc1CNC(=O)c1cccc(C#CCO)c1 ZINC000899989762 642230386 /nfs/dbraw/zinc/23/03/86/642230386.db2.gz BLFKCJRCWVNYEY-UHFFFAOYSA-N 0 3 322.408 2.022 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCCn1ccnn1 ZINC000778177059 642348864 /nfs/dbraw/zinc/34/88/64/642348864.db2.gz NBCOLZGKXVZZCM-UHFFFAOYSA-N 0 3 304.781 2.123 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000900522455 642388654 /nfs/dbraw/zinc/38/86/54/642388654.db2.gz DEUYTLROQSOGNG-OFAQMXQXSA-N 0 3 300.402 2.287 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000900827025 642482936 /nfs/dbraw/zinc/48/29/36/642482936.db2.gz DBQJNOVYPSOGQW-MOIGAOQCSA-N 0 3 300.402 2.333 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3c(Cl)cnn3CC)CCC[C@H]12 ZINC000990869607 642557931 /nfs/dbraw/zinc/55/79/31/642557931.db2.gz INSWHRIBXYLPHF-XJKSGUPXSA-N 0 3 322.840 2.469 20 30 DEEDHN CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000901342815 642629961 /nfs/dbraw/zinc/62/99/61/642629961.db2.gz RVMDXJPIBBTTKU-QZTJIDSGSA-N 0 3 317.433 2.140 20 30 DEEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1ccc(C#N)cn1 ZINC000780554251 642640186 /nfs/dbraw/zinc/64/01/86/642640186.db2.gz IZWNMNXFEIMLEP-UHFFFAOYSA-N 0 3 304.394 2.346 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nnc3C)CCC[C@H]12 ZINC000990887296 642683038 /nfs/dbraw/zinc/68/30/38/642683038.db2.gz ANFJNNKAXORQTJ-DOTOQJQBSA-N 0 3 300.406 2.006 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnn3C(F)F)CCC[C@@H]12 ZINC000990890365 642703782 /nfs/dbraw/zinc/70/37/82/642703782.db2.gz IOGFEMDMELAZMW-DOMZBBRYSA-N 0 3 310.348 2.191 20 30 DEEDHN C=CCc1cc(CN2CCC[C@H]2C2OCCO2)c(O)c(OC)c1 ZINC000902621920 643087799 /nfs/dbraw/zinc/08/77/99/643087799.db2.gz GRAUFZVSUPTZIY-HNNXBMFYSA-N 0 3 319.401 2.467 20 30 DEEDHN C[C@@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cc(C#N)ccn1 ZINC000902751856 643131952 /nfs/dbraw/zinc/13/19/52/643131952.db2.gz BTHFOUQTUMJWOD-UKRRQHHQSA-N 0 3 308.389 2.063 20 30 DEEDHN C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(C#N)ccn1 ZINC000902982556 643210492 /nfs/dbraw/zinc/21/04/92/643210492.db2.gz KYFPUXCSVFTVGZ-JLJPHGGASA-N 0 3 315.417 2.172 20 30 DEEDHN CC[C@H](C#N)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785715597 643267648 /nfs/dbraw/zinc/26/76/48/643267648.db2.gz VSDHOBYUUGXYCI-QGZVFWFLSA-N 0 3 316.401 2.350 20 30 DEEDHN CC[C@H](CN1CCOCC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000903342382 643319592 /nfs/dbraw/zinc/31/95/92/643319592.db2.gz CRYOFWRVBPISDB-UKRRQHHQSA-N 0 3 305.397 2.459 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCN(CC)C2=O)cc1 ZINC000903392521 643331629 /nfs/dbraw/zinc/33/16/29/643331629.db2.gz UCXSQOIJDYDQBJ-RHSMWYFYSA-N 0 3 300.402 2.360 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000786393177 643361072 /nfs/dbraw/zinc/36/10/72/643361072.db2.gz GGHGKPIDCIYOSE-GOSISDBHSA-N 0 3 307.397 2.007 20 30 DEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786510162 643376729 /nfs/dbraw/zinc/37/67/29/643376729.db2.gz AKUIFQLJTBLKNY-LLVKDONJSA-N 0 3 324.327 2.105 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533712 643381478 /nfs/dbraw/zinc/38/14/78/643381478.db2.gz HNDJGADIQCICFR-RISCZKNCSA-N 0 3 322.792 2.480 20 30 DEEDHN C=CCOCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786540013 643382772 /nfs/dbraw/zinc/38/27/72/643382772.db2.gz JVZYKJJRCMMGQC-INIZCTEOSA-N 0 3 314.385 2.303 20 30 DEEDHN CC(C)(C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786562500 643385496 /nfs/dbraw/zinc/38/54/96/643385496.db2.gz YEEGNHPXMYNHRP-GFCCVEGCSA-N 0 3 324.327 2.105 20 30 DEEDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000787280485 643475167 /nfs/dbraw/zinc/47/51/67/643475167.db2.gz WQMMVEBHHATUQZ-VXGBXAGGSA-N 0 3 317.389 2.002 20 30 DEEDHN N#CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000787355786 643485900 /nfs/dbraw/zinc/48/59/00/643485900.db2.gz LJXJDZRMXWDUIS-INIZCTEOSA-N 0 3 300.406 2.426 20 30 DEEDHN N#C[C@H](C(=O)Nc1ccccc1)C(=O)C1CCN(C2CC2)CC1 ZINC000805853432 643546557 /nfs/dbraw/zinc/54/65/57/643546557.db2.gz JLEFLXJIKKMDIN-INIZCTEOSA-N 0 3 311.385 2.208 20 30 DEEDHN CC1/C(=C\c2ccc(O[C@H]3CCOC3)cc2)C(=O)c2ncnn21 ZINC000905085021 643779464 /nfs/dbraw/zinc/77/94/64/643779464.db2.gz LFDBBUKMJGDWQD-RJXTXEIUSA-N 0 3 311.341 2.287 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC[C@H](O)C2(O)CCCC2)c1 ZINC000905117066 643794799 /nfs/dbraw/zinc/79/47/99/643794799.db2.gz MHPJBMNJKZAZCM-WBVHZDCISA-N 0 3 318.417 2.123 20 30 DEEDHN C[C@@H]1CCCN1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000790939475 643910843 /nfs/dbraw/zinc/91/08/43/643910843.db2.gz BNBZWGJFJIMNQU-CYBMUJFWSA-N 0 3 324.384 2.427 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1cccc2c1OCC2 ZINC000905615421 643980792 /nfs/dbraw/zinc/98/07/92/643980792.db2.gz BXWOQEOMXMIJLP-KRWDZBQOSA-N 0 3 324.380 2.023 20 30 DEEDHN CN(C)c1ccc(NC(=O)CCN2CCC(C#N)CC2)cc1 ZINC000792216439 644091487 /nfs/dbraw/zinc/09/14/87/644091487.db2.gz VPCYSPQCKZFSAR-UHFFFAOYSA-N 0 3 300.406 2.317 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(-c2ccn(C)n2)nn1 ZINC000906315255 644208157 /nfs/dbraw/zinc/20/81/57/644208157.db2.gz XIDDVBJCHKUPLT-UKRRQHHQSA-N 0 3 300.410 2.225 20 30 DEEDHN C#CCCCCCC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000794346641 644400584 /nfs/dbraw/zinc/40/05/84/644400584.db2.gz WGFIZIWGPKNUDK-UHFFFAOYSA-N 0 3 315.417 2.323 20 30 DEEDHN O=C(C#Cc1ccccc1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794589334 644441401 /nfs/dbraw/zinc/44/14/01/644441401.db2.gz YMGHIKOSGPLCOI-IBGZPJMESA-N 0 3 320.392 2.243 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N(CC)CCCN2CCCC2)cc1 ZINC000907153703 644464388 /nfs/dbraw/zinc/46/43/88/644464388.db2.gz PRDYQCFZINDANM-UHFFFAOYSA-N 0 3 320.458 2.164 20 30 DEEDHN C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC000907425117 644544530 /nfs/dbraw/zinc/54/45/30/644544530.db2.gz JJDWGFMNFRZZIQ-STQMWFEESA-N 0 3 302.340 2.418 20 30 DEEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000796628839 644766878 /nfs/dbraw/zinc/76/68/78/644766878.db2.gz FANFQURRCJPTFY-PEYYIBSZSA-N 0 3 318.373 2.404 20 30 DEEDHN C#CCCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460626 644867433 /nfs/dbraw/zinc/86/74/33/644867433.db2.gz WNXKQUJLXATBFR-INIZCTEOSA-N 0 3 303.406 2.105 20 30 DEEDHN C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000797604994 644901497 /nfs/dbraw/zinc/90/14/97/644901497.db2.gz HFPGECWPLPLJKR-KBPBESRZSA-N 0 3 323.437 2.294 20 30 DEEDHN C#CCCCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC=C ZINC000908726291 644981373 /nfs/dbraw/zinc/98/13/73/644981373.db2.gz GFODDPRRDUJVTE-HOTGVXAUSA-N 0 3 315.465 2.339 20 30 DEEDHN N#CC1(CCCN2CCCC[C@H]2C2OCCO2)CCOCC1 ZINC000799119953 645128410 /nfs/dbraw/zinc/12/84/10/645128410.db2.gz HLVXILDXZXGRPW-HNNXBMFYSA-N 0 3 308.422 2.314 20 30 DEEDHN CC1(C)CC(=NNC(=N)N)c2cc(Br)ccc2O1 ZINC000799476453 645177137 /nfs/dbraw/zinc/17/71/37/645177137.db2.gz JDFVSIZEJNYRBK-UHFFFAOYSA-N 0 3 311.183 2.197 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1 ZINC000800386989 645265280 /nfs/dbraw/zinc/26/52/80/645265280.db2.gz OQKJBHLYCWQIQG-YHYOWMERSA-N 0 3 316.357 2.156 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000843740653 651023189 /nfs/dbraw/zinc/02/31/89/651023189.db2.gz SIGLKPSSQYDVCD-QILLFSRXSA-N 0 3 312.413 2.168 20 30 DEEDHN C=CCN1CCN(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)C1=O ZINC000840067563 645855648 /nfs/dbraw/zinc/85/56/48/645855648.db2.gz MMNGSAXDAVAPLK-TWMKSMIVSA-N 0 3 321.465 2.129 20 30 DEEDHN CNC(=O)[C@H](CCSC)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000806664035 645859710 /nfs/dbraw/zinc/85/97/10/645859710.db2.gz YDMXTYVSEYMNCD-WFASDCNBSA-N 0 3 321.446 2.107 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-c2cc[nH]n2)CC1 ZINC000911943276 645877683 /nfs/dbraw/zinc/87/76/83/645877683.db2.gz OESHWRQZTAREDL-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000912037023 645913257 /nfs/dbraw/zinc/91/32/57/645913257.db2.gz NJODSEFWBKJLGY-AWEZNQCLSA-N 0 3 303.406 2.042 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000912091913 645934379 /nfs/dbraw/zinc/93/43/79/645934379.db2.gz TWFBPZXNLCXGBM-CJNGLKHVSA-N 0 3 313.405 2.128 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(NC(=O)CC)c1 ZINC000912292216 646010820 /nfs/dbraw/zinc/01/08/20/646010820.db2.gz AFPBWMDDBIVQTF-HNNXBMFYSA-N 0 3 303.406 2.335 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)NC1CCN(CCOC)CC1 ZINC000912300900 646014444 /nfs/dbraw/zinc/01/44/44/646014444.db2.gz KXJYXJHKDBQGIN-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN C[C@@]1(NC(=O)[C@H](C#N)CCc2ccccc2)CN2CCC1CC2 ZINC000912379495 646039715 /nfs/dbraw/zinc/03/97/15/646039715.db2.gz XNJYGQJHFKMLQD-QFBILLFUSA-N 0 3 311.429 2.359 20 30 DEEDHN C[C@@]1(NC(=O)c2cc(F)c(C#N)c(F)c2)CN2CCC1CC2 ZINC000912373395 646047539 /nfs/dbraw/zinc/04/75/39/646047539.db2.gz CFDZFNCNASNKQL-MRXNPFEDSA-N 0 3 305.328 2.051 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cccc(C#N)n2)c1 ZINC000810529768 646372303 /nfs/dbraw/zinc/37/23/03/646372303.db2.gz NOIQOIBROZAUPW-CQSZACIVSA-N 0 3 304.309 2.223 20 30 DEEDHN C#CCN1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000044756567 646429587 /nfs/dbraw/zinc/42/95/87/646429587.db2.gz INZLGMZSFNFFMI-UHFFFAOYSA-N 0 3 310.397 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccncc2Cl)C[C@@H]1C ZINC000947745098 646526192 /nfs/dbraw/zinc/52/61/92/646526192.db2.gz CIRQBQFPTHMRDB-STQMWFEESA-N 0 3 305.809 2.341 20 30 DEEDHN CCCCCCCN1CCN(c2ncccc2C(N)=O)CC1 ZINC000157673191 646552435 /nfs/dbraw/zinc/55/24/35/646552435.db2.gz NLAJMKABGBFXBM-UHFFFAOYSA-N 0 3 304.438 2.273 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000811892846 646589428 /nfs/dbraw/zinc/58/94/28/646589428.db2.gz YVCJGDJQVCQPFI-LSDHHAIUSA-N 0 3 305.809 2.408 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000811993023 646600298 /nfs/dbraw/zinc/60/02/98/646600298.db2.gz PGMDHRZLDUXLLO-YOEHRIQHSA-N 0 3 315.417 2.153 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3cc(C)ccn23)C[C@H]1C ZINC000947334258 646614908 /nfs/dbraw/zinc/61/49/08/646614908.db2.gz JOXZQUSPTUYUIA-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113779 646732325 /nfs/dbraw/zinc/73/23/25/646732325.db2.gz IPTLKIQAXLLIET-SECBINFHSA-N 0 3 303.274 2.072 20 30 DEEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173960260 646784776 /nfs/dbraw/zinc/78/47/76/646784776.db2.gz USLZVPKXSKOBJO-OAHLLOKOSA-N 0 3 316.357 2.325 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3cncc(C)c3)CCC[C@@H]12 ZINC000992026843 646832755 /nfs/dbraw/zinc/83/27/55/646832755.db2.gz BMZPVUPGWMZIES-IEBWSBKVSA-N 0 3 311.429 2.069 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccc4n[nH]cc43)CCC[C@@H]12 ZINC000992086246 646848595 /nfs/dbraw/zinc/84/85/95/646848595.db2.gz QMANXHIKGPQHIK-MJGOQNOKSA-N 0 3 322.412 2.313 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc4n[nH]cc4c3)CCC[C@@H]12 ZINC000992144137 646872000 /nfs/dbraw/zinc/87/20/00/646872000.db2.gz GPBLGVIXBDFIOF-IEBWSBKVSA-N 0 3 322.412 2.313 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc(F)c(F)c3)CCC[C@@H]12 ZINC000992163957 646879872 /nfs/dbraw/zinc/87/98/72/646879872.db2.gz WYIRDDFDCPNYMM-AEFFLSMTSA-N 0 3 318.367 2.254 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccncc4C3)CCC[C@H]12 ZINC000992184682 646892274 /nfs/dbraw/zinc/89/22/74/646892274.db2.gz XACYEEUYLWDPAM-VDZJLULYSA-N 0 3 311.429 2.096 20 30 DEEDHN Nc1ncc2c(n1)CCCC2=NNc1ccc(F)c([N+](=O)[O-])c1 ZINC000814904859 646943820 /nfs/dbraw/zinc/94/38/20/646943820.db2.gz BSAJDFXNHUZTBU-UHFFFAOYSA-N 0 3 316.296 2.259 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc(C)nc3C)CCC[C@H]12 ZINC000992325821 646947769 /nfs/dbraw/zinc/94/77/69/646947769.db2.gz DVBIPJYIALQYFK-RDJZCZTQSA-N 0 3 300.406 2.006 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCOCCC#N ZINC000815089234 646966003 /nfs/dbraw/zinc/96/60/03/646966003.db2.gz CELNGJCPAWPOBC-CABCVRRESA-N 0 3 323.437 2.390 20 30 DEEDHN CN1C(=O)C[C@H](NCCOCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000815102872 646969326 /nfs/dbraw/zinc/96/93/26/646969326.db2.gz TUEWDIOMLIGRIV-GOEBONIOSA-N 0 3 321.808 2.132 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3cc(Cl)no3)CCC[C@H]12 ZINC000992422172 646992477 /nfs/dbraw/zinc/99/24/77/646992477.db2.gz KXWAAIZCAULDLG-SWLSCSKDSA-N 0 3 307.781 2.078 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3COc4ccccc43)CCC[C@@H]12 ZINC000992523327 647088097 /nfs/dbraw/zinc/08/80/97/647088097.db2.gz QNAAYCIRJBKNRM-YVWKXTFCSA-N 0 3 324.424 2.299 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000152384997 647149873 /nfs/dbraw/zinc/14/98/73/647149873.db2.gz OVKXKBDYPNINSV-BXUZGUMPSA-N 0 3 304.346 2.158 20 30 DEEDHN CCCCCCCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817134825 647229897 /nfs/dbraw/zinc/22/98/97/647229897.db2.gz GPXCLAMACOORJA-HNNXBMFYSA-N 0 3 311.470 2.016 20 30 DEEDHN C#CCN(C(=O)N[C@H]1C[C@H]1c1ccccc1)C1CCN(C)CC1 ZINC000914377483 647283525 /nfs/dbraw/zinc/28/35/25/647283525.db2.gz WFFVQBBHUCXKRX-ROUUACIJSA-N 0 3 311.429 2.282 20 30 DEEDHN CC(=O)OCCCc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000818216233 647435066 /nfs/dbraw/zinc/43/50/66/647435066.db2.gz KOYANJGMJCOEMP-MRXNPFEDSA-N 0 3 317.389 2.142 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2c(F)cc(F)cc2F)CC1 ZINC000818523728 647473969 /nfs/dbraw/zinc/47/39/69/647473969.db2.gz ZEWDPARLOUDKJA-UHFFFAOYSA-N 0 3 310.319 2.065 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000818589273 647483285 /nfs/dbraw/zinc/48/32/85/647483285.db2.gz VFLLREPJTKSRAY-AWEZNQCLSA-N 0 3 322.836 2.487 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(N(CC)CCC)nc1 ZINC000818606308 647487106 /nfs/dbraw/zinc/48/71/06/647487106.db2.gz LAPLTJUYHWBTGF-UHFFFAOYSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000818606187 647487611 /nfs/dbraw/zinc/48/76/11/647487611.db2.gz GCDWROVWPUFQTR-UHFFFAOYSA-N 0 3 311.385 2.335 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000731896819 647519315 /nfs/dbraw/zinc/51/93/15/647519315.db2.gz KKJJKMLPLIXBQX-KRWDZBQOSA-N 0 3 322.497 2.191 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H]1C ZINC000993316594 647595841 /nfs/dbraw/zinc/59/58/41/647595841.db2.gz RDSUKAIBMSWUMU-IAGOWNOFSA-N 0 3 319.493 2.243 20 30 DEEDHN CN1CCCC[C@H]1CCN(c1cccc(C#N)c1)S(C)(=O)=O ZINC000915669494 647601652 /nfs/dbraw/zinc/60/16/52/647601652.db2.gz JHKWQONNJCHRMS-HNNXBMFYSA-N 0 3 321.446 2.199 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@@H]1C ZINC000993411310 647654966 /nfs/dbraw/zinc/65/49/66/647654966.db2.gz HSFIYSYOYQEMMH-ZFWWWQNUSA-N 0 3 316.449 2.456 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc3cncn3c2C)[C@@H]1C ZINC000993501613 647680853 /nfs/dbraw/zinc/68/08/53/647680853.db2.gz LVTWBRMXALJMLR-MAUKXSAKSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc3ccccn23)[C@@H]1C ZINC000993506469 647683135 /nfs/dbraw/zinc/68/31/35/647683135.db2.gz FGDHROIPRFMNBO-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2nc(C)sc2C)[C@@H]1C ZINC000993491234 647686677 /nfs/dbraw/zinc/68/66/77/647686677.db2.gz WDABRIVUIQEWSQ-FZMZJTMJSA-N 0 3 307.463 2.458 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(C)c2CC)[C@H]1C ZINC000993575399 647695178 /nfs/dbraw/zinc/69/51/78/647695178.db2.gz YJEPDKFRFMOBDX-HIFRSBDPSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C)c(C)nc2C)[C@@H]1C ZINC000993582662 647697013 /nfs/dbraw/zinc/69/70/13/647697013.db2.gz FZJLJJHJCRYJFE-HOTGVXAUSA-N 0 3 314.433 2.008 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc3nccn32)[C@@H]1C ZINC000993597135 647711976 /nfs/dbraw/zinc/71/19/76/647711976.db2.gz GHAZLLFFYHRLSN-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccnc2C)[C@@H]1C ZINC000993809766 647748564 /nfs/dbraw/zinc/74/85/64/647748564.db2.gz WWTLSOXUFTXNEC-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc(C)nc2C)[C@@H]1C ZINC000994003951 647776320 /nfs/dbraw/zinc/77/63/20/647776320.db2.gz BJMZIMIVQOBWDF-BBRMVZONSA-N 0 3 302.422 2.252 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cn2ncc3ccccc32)[C@H]1C ZINC000994012906 647777146 /nfs/dbraw/zinc/77/71/46/647777146.db2.gz WFQPGFCKEAZNPW-ZBFHGGJFSA-N 0 3 312.417 2.191 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn(CCC)nc2C)[C@H]1C ZINC000994099397 647784714 /nfs/dbraw/zinc/78/47/14/647784714.db2.gz LGXMNOQTZSJTJO-NVXWUHKLSA-N 0 3 316.449 2.208 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnccc2N(C)C)[C@H]1C ZINC000994268351 647888867 /nfs/dbraw/zinc/88/88/67/647888867.db2.gz MCNCSYCVAUDQEP-ZBFHGGJFSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H]1C ZINC000994303054 647907911 /nfs/dbraw/zinc/90/79/11/647907911.db2.gz WFYDXEXDLDUHDT-WMLDXEAASA-N 0 3 300.402 2.301 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000916887731 647937284 /nfs/dbraw/zinc/93/72/84/647937284.db2.gz YDCKXLQJPWODSJ-QGZVFWFLSA-N 0 3 322.364 2.399 20 30 DEEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000916891345 647937466 /nfs/dbraw/zinc/93/74/66/647937466.db2.gz UAIMHGHLEYPRNZ-AWEZNQCLSA-N 0 3 304.346 2.159 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc(Cl)nc2)cc1 ZINC000917015663 647955449 /nfs/dbraw/zinc/95/54/49/647955449.db2.gz ZZYGRQGAMMFRHO-AWEZNQCLSA-N 0 3 317.776 2.136 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2([C@H]3CCCCO3)CC2)CC1 ZINC000917098076 647967482 /nfs/dbraw/zinc/96/74/82/647967482.db2.gz RBKMXSOOCYSLCN-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](COC)C(C)C)CC1 ZINC000917097791 647967495 /nfs/dbraw/zinc/96/74/95/647967495.db2.gz JFEBDOQWWVVAFN-HNNXBMFYSA-N 0 3 311.470 2.245 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2csc(CC)n2)[C@H]1C ZINC000994505421 647974792 /nfs/dbraw/zinc/97/47/92/647974792.db2.gz ZRJZTYCVCWEEJZ-OCCSQVGLSA-N 0 3 307.463 2.403 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2nc3c(s2)CCC3)CC1 ZINC000917137573 647974800 /nfs/dbraw/zinc/97/48/00/647974800.db2.gz RSRWZGKBVLCLFM-UHFFFAOYSA-N 0 3 320.462 2.081 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(C)c2C2CC2)[C@@H]1C ZINC000994519807 647995561 /nfs/dbraw/zinc/99/55/61/647995561.db2.gz PZMBTAWUEYROAR-BBRMVZONSA-N 0 3 316.449 2.456 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000920111972 648205305 /nfs/dbraw/zinc/20/53/05/648205305.db2.gz SWOJPZPRIDHGDF-KGLIPLIRSA-N 0 3 304.346 2.158 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C[C@@H]1C ZINC000948069930 648328534 /nfs/dbraw/zinc/32/85/34/648328534.db2.gz LOFMUVKATYFBGE-CZWNDGCPSA-N 0 3 314.351 2.321 20 30 DEEDHN COc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000175113436 648332897 /nfs/dbraw/zinc/33/28/97/648332897.db2.gz UEPHSBAMORZRHW-IUODEOHRSA-N 0 3 302.374 2.422 20 30 DEEDHN C=CCN1CCC([NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823920168 648499946 /nfs/dbraw/zinc/49/99/46/648499946.db2.gz ZBCGPMGVFQPTRH-CYBMUJFWSA-N 0 3 312.421 2.168 20 30 DEEDHN C=CCN1CCC([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823920168 648499949 /nfs/dbraw/zinc/49/99/49/648499949.db2.gz ZBCGPMGVFQPTRH-CYBMUJFWSA-N 0 3 312.421 2.168 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182371607 648890973 /nfs/dbraw/zinc/89/09/73/648890973.db2.gz BXJZWYYPIJWXCO-OLZOCXBDSA-N 0 3 319.405 2.060 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)n2C)C(C)(C)C1 ZINC000940566782 648893910 /nfs/dbraw/zinc/89/39/10/648893910.db2.gz RNWHDKZTNJRYAG-MRXNPFEDSA-N 0 3 301.434 2.187 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000826656849 648898983 /nfs/dbraw/zinc/89/89/83/648898983.db2.gz ZNHRGEJMVCDQDH-UHFFFAOYSA-N 0 3 307.325 2.114 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)o2)C(C)(C)C1 ZINC000940690096 648921779 /nfs/dbraw/zinc/92/17/79/648921779.db2.gz WWXTUJGPPHFDNM-INIZCTEOSA-N 0 3 302.418 2.371 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnn2C(C)C)C(C)(C)C1 ZINC000940774255 648943195 /nfs/dbraw/zinc/94/31/95/648943195.db2.gz MXWVZISOEITUDJ-OAHLLOKOSA-N 0 3 304.438 2.480 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)C(C)(C)C1 ZINC000940781261 648944383 /nfs/dbraw/zinc/94/43/83/648944383.db2.gz YQXAVDZSOBRTCE-OAHLLOKOSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncc(C)cc2OC)C(C)(C)C1 ZINC000940806165 648946010 /nfs/dbraw/zinc/94/60/10/648946010.db2.gz UUJFIYVPZJKCEN-OAHLLOKOSA-N 0 3 317.433 2.415 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C3CC3)cnn2C)C(C)(C)C1 ZINC000940790479 648947151 /nfs/dbraw/zinc/94/71/51/648947151.db2.gz DJBSNHUBNNRXAZ-OAHLLOKOSA-N 0 3 316.449 2.314 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2snnc2C2CC2)C(C)(C)C1 ZINC000940812114 648950716 /nfs/dbraw/zinc/95/07/16/648950716.db2.gz CMYFPDPBTLWCAU-LBPRGKRZSA-N 0 3 320.462 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2Cl)C(C)(C)C1 ZINC000940842703 648954503 /nfs/dbraw/zinc/95/45/03/648954503.db2.gz MXQACTJQKPKTBW-LBPRGKRZSA-N 0 3 310.829 2.090 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nc2)C(C)(C)C1 ZINC000940860147 648961390 /nfs/dbraw/zinc/96/13/90/648961390.db2.gz ZKSNHQKFQRWBTI-HNNXBMFYSA-N 0 3 316.449 2.164 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000940887051 648962196 /nfs/dbraw/zinc/96/21/96/648962196.db2.gz XFFKSGJDYNBMQG-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000940885423 648962449 /nfs/dbraw/zinc/96/24/49/648962449.db2.gz BNPFOZWNDKKOHD-MRXNPFEDSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2occ3c2CCOC3)C(C)(C)C1 ZINC000940918038 648970610 /nfs/dbraw/zinc/97/06/10/648970610.db2.gz IVIKEKXQONYAQB-HNNXBMFYSA-N 0 3 318.417 2.369 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)ncc2Cl)C(C)(C)C1 ZINC000941075233 648994427 /nfs/dbraw/zinc/99/44/27/648994427.db2.gz ISPQSVJXUHHQLU-ZDUSSCGKSA-N 0 3 322.840 2.455 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C(C)(C)C1 ZINC000941259617 649030910 /nfs/dbraw/zinc/03/09/10/649030910.db2.gz ZLUSQUNDXYWFKS-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000941305113 649036646 /nfs/dbraw/zinc/03/66/46/649036646.db2.gz VZEGWFRRSKLZLP-UHFFFAOYSA-N 0 3 319.474 2.156 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC000941513622 649053504 /nfs/dbraw/zinc/05/35/04/649053504.db2.gz LDGMOLIHDAYHMH-UHFFFAOYSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3ccccn3c2F)C[C@@H]1C ZINC000947895709 649056374 /nfs/dbraw/zinc/05/63/74/649056374.db2.gz QQMSZCDKQKLKDB-QWHCGFSZSA-N 0 3 316.380 2.242 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CN(CCCC)C2)CC1 ZINC000941551073 649056947 /nfs/dbraw/zinc/05/69/47/649056947.db2.gz WQLCCHRHRAKCSW-GOSISDBHSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCN(C3CN(C[C@@H](C)CC)C3)CC2)C1 ZINC000941559692 649059237 /nfs/dbraw/zinc/05/92/37/649059237.db2.gz JSZGCKQSIIXCTQ-HNNXBMFYSA-N 0 3 319.493 2.217 20 30 DEEDHN C#CCCN(CCOC)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000827827794 649091519 /nfs/dbraw/zinc/09/15/19/649091519.db2.gz YLWIWQAEDIQOPM-QGZVFWFLSA-N 0 3 316.445 2.383 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@@H](C)C1 ZINC000942076040 649151657 /nfs/dbraw/zinc/15/16/57/649151657.db2.gz KZSNXNFLOLITPB-JSGCOSHPSA-N 0 3 306.381 2.461 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3ccccc3n2)[C@H](C)C1 ZINC000942126790 649162866 /nfs/dbraw/zinc/16/28/66/649162866.db2.gz KSLAKVBJFKBIBX-CABCVRRESA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nccc3cccnc32)[C@@H](C)C1 ZINC000942140125 649164942 /nfs/dbraw/zinc/16/49/42/649164942.db2.gz JKSXZHAAURTUSC-ZFWWWQNUSA-N 0 3 310.401 2.256 20 30 DEEDHN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCCN1CCCO ZINC000828420032 649176589 /nfs/dbraw/zinc/17/65/89/649176589.db2.gz ANTOFFKRTKZUAI-OAHLLOKOSA-N 0 3 301.390 2.020 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C2CCC2)[C@H](C)C1 ZINC000942196991 649181363 /nfs/dbraw/zinc/18/13/63/649181363.db2.gz SXYJMFKKFVPEAO-CZUORRHYSA-N 0 3 316.449 2.314 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)nn2CC)[C@@H](C)C1 ZINC000942255783 649191594 /nfs/dbraw/zinc/19/15/94/649191594.db2.gz AXIVUJSJBVRHMF-LSDHHAIUSA-N 0 3 316.449 2.100 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(COC)c2)[C@H](C)C1 ZINC000942313568 649202495 /nfs/dbraw/zinc/20/24/95/649202495.db2.gz JPWDCGNARGEAGS-CRAIPNDOSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cn2c(C)cc3ccccc32)[C@H](C)C1 ZINC000942342265 649206088 /nfs/dbraw/zinc/20/60/88/649206088.db2.gz CSMLDFQVGUZCTD-CRAIPNDOSA-N 0 3 323.440 2.410 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@H](C)C1 ZINC000942343678 649206526 /nfs/dbraw/zinc/20/65/26/649206526.db2.gz KVBUBICBUAHHEG-PBHICJAKSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H](C)C1 ZINC000942547297 649242665 /nfs/dbraw/zinc/24/26/65/649242665.db2.gz KBBUGYFDEMFJGQ-OCCSQVGLSA-N 0 3 306.431 2.220 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2cncs2)CC1 ZINC000948459208 649243183 /nfs/dbraw/zinc/24/31/83/649243183.db2.gz BHAUANFSHYUVOJ-AWEZNQCLSA-N 0 3 305.447 2.022 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncc(OC(C)C)c2)[C@H](C)C1 ZINC000942557925 649244398 /nfs/dbraw/zinc/24/43/98/649244398.db2.gz OXKJTPDVBKAXJD-PBHICJAKSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000942562614 649247548 /nfs/dbraw/zinc/24/75/48/649247548.db2.gz OAWMSIJAISXKHC-GXTWGEPZSA-N 0 3 313.426 2.370 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnc3ccsc3c2)[C@H](C)C1 ZINC000942562616 649247703 /nfs/dbraw/zinc/24/77/03/649247703.db2.gz OAWMSIJAISXKHC-OCCSQVGLSA-N 0 3 313.426 2.370 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(Cl)cs2)[C@H](C)C1 ZINC000942579954 649250126 /nfs/dbraw/zinc/25/01/26/649250126.db2.gz QHJZMGBMZIPBIG-GHMZBOCLSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)[C@@H](C)C1 ZINC000942585204 649254978 /nfs/dbraw/zinc/25/49/78/649254978.db2.gz ATOGNNCDXBZRPJ-MAUKXSAKSA-N 0 3 323.440 2.181 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)[C@@H](C)C1 ZINC000942824626 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C=CCN1CC[C@@H](NC(=O)c2cccc3nccnc32)[C@H](C)C1 ZINC000943762468 649424166 /nfs/dbraw/zinc/42/41/66/649424166.db2.gz ZHWPDFBOJHLSFL-UKRRQHHQSA-N 0 3 310.401 2.256 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@@H](CCO)c2ccccc2F)cc1 ZINC000830350647 649431329 /nfs/dbraw/zinc/43/13/29/649431329.db2.gz FEUUKWLFPHXGAO-ROUUACIJSA-N 0 3 314.360 2.444 20 30 DEEDHN Cc1ccc(N2CCC[C@H](NC(=O)[C@H](N)CCCC#N)C2)cc1 ZINC000830603134 649466405 /nfs/dbraw/zinc/46/64/05/649466405.db2.gz IJAKEKNXAMZFKL-DOTOQJQBSA-N 0 3 314.433 2.101 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnoc2C(C)C)[C@@H](C)C1 ZINC000943964130 649466555 /nfs/dbraw/zinc/46/65/55/649466555.db2.gz CYVPJXDSPKXERA-DZGCQCFKSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ccncc3c2)[C@@H](C)C1 ZINC000943989833 649468476 /nfs/dbraw/zinc/46/84/76/649468476.db2.gz XKTLTVHKYCVHHH-KBXCAEBGSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@@H](C)C1 ZINC000944014775 649471540 /nfs/dbraw/zinc/47/15/40/649471540.db2.gz FZIZPSXZAALDQE-BBRMVZONSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CC)c2C2CC2)[C@@H](C)C1 ZINC000944032819 649475639 /nfs/dbraw/zinc/47/56/39/649475639.db2.gz HVOYMMYSWDODQT-XJKSGUPXSA-N 0 3 316.449 2.407 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](C)C1 ZINC000944082666 649480971 /nfs/dbraw/zinc/48/09/71/649480971.db2.gz YBHYGSAFGSOXJT-ZFWWWQNUSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(OC(C)C)c2)[C@H](C)C1 ZINC000944123803 649486425 /nfs/dbraw/zinc/48/64/25/649486425.db2.gz WGLNPYYTBRUUKD-ZBFHGGJFSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)[C@H](C)C1 ZINC000944242253 649501903 /nfs/dbraw/zinc/50/19/03/649501903.db2.gz SJTSRSGENNLPAN-TZMCWYRMSA-N 0 3 317.458 2.484 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)[C@H](C)C1 ZINC000944492285 649528176 /nfs/dbraw/zinc/52/81/76/649528176.db2.gz PCUWMCQAVWOEGU-HIFRSBDPSA-N 0 3 315.417 2.033 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2OCC)[C@@H](C)C1 ZINC000944532407 649531178 /nfs/dbraw/zinc/53/11/78/649531178.db2.gz LYNGDVMNPUDABN-GOEBONIOSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000944553007 649533330 /nfs/dbraw/zinc/53/33/30/649533330.db2.gz KYYFPUJPHOVTLM-PBHICJAKSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000944812214 649569904 /nfs/dbraw/zinc/56/99/04/649569904.db2.gz RXYOXRARTKJLEJ-SWLSCSKDSA-N 0 3 320.820 2.422 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](C)C1 ZINC000944907812 649585530 /nfs/dbraw/zinc/58/55/30/649585530.db2.gz PCMKKBPCWMPFIV-SWLSCSKDSA-N 0 3 303.406 2.009 20 30 DEEDHN CCC(=O)N1CCCC[C@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000073087330 649603515 /nfs/dbraw/zinc/60/35/15/649603515.db2.gz MEGZITJSOWRHMR-RYUDHWBXSA-N 0 3 305.403 2.419 20 30 DEEDHN C[C@H]1CN(C(=O)Cc2ccccc2CC#N)CCN(C2CC2)C1 ZINC000832949606 649755136 /nfs/dbraw/zinc/75/51/36/649755136.db2.gz LFLOJEWWMDUXEO-OAHLLOKOSA-N 0 3 311.429 2.238 20 30 DEEDHN C=C(C)CONC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000845615385 651261049 /nfs/dbraw/zinc/26/10/49/651261049.db2.gz XZFKAPWOKGZFQO-DLBZAZTESA-N 0 3 315.417 2.410 20 30 DEEDHN N#CCOc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000847255801 651384567 /nfs/dbraw/zinc/38/45/67/651384567.db2.gz MCYRRLGHKPQHQC-HOTGVXAUSA-N 0 3 313.401 2.336 20 30 DEEDHN CC(C)COc1ccc(CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000106984581 651405214 /nfs/dbraw/zinc/40/52/14/651405214.db2.gz OQIQYIATFQHGEJ-INIZCTEOSA-N 0 3 314.385 2.251 20 30 DEEDHN COc1ccc2c(c1)[C@H](C(=O)C(C#N)C(=O)NC1CC1)CCC2 ZINC000847624301 651406066 /nfs/dbraw/zinc/40/60/66/651406066.db2.gz NNBPNUQTFPYLPH-ZBFHGGJFSA-N 0 3 312.369 2.103 20 30 DEEDHN N#CC(C(=O)C[C@H]1OCc2ccccc21)C(=O)NC1CCCC1 ZINC000847625036 651406068 /nfs/dbraw/zinc/40/60/68/651406068.db2.gz APCOVICGMKVRMX-NVXWUHKLSA-N 0 3 312.369 2.416 20 30 DEEDHN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000848395801 651456068 /nfs/dbraw/zinc/45/60/68/651456068.db2.gz IZUDSRGBEZEFNG-AWEZNQCLSA-N 0 3 316.405 2.175 20 30 DEEDHN CCn1c(CNC(=O)[C@@H](N)CCCCC#N)nc2ccccc21 ZINC000848397934 651456309 /nfs/dbraw/zinc/45/63/09/651456309.db2.gz PINLDATVUCQKPY-ZDUSSCGKSA-N 0 3 313.405 2.084 20 30 DEEDHN C=CCCCCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849608085 651689971 /nfs/dbraw/zinc/68/99/71/651689971.db2.gz MJKRWWXYARGCMT-IRXDYDNUSA-N 0 3 318.465 2.318 20 30 DEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850759853 651982548 /nfs/dbraw/zinc/98/25/48/651982548.db2.gz RRLZLKRXUAGHJO-QISWUMQESA-N 0 3 322.723 2.019 20 30 DEEDHN CCn1c(CNC[C@@H](O)CC(C)(C)C#N)nc2ccccc21 ZINC000857232649 652084883 /nfs/dbraw/zinc/08/48/83/652084883.db2.gz HYFFKCGLRRMSDZ-ZDUSSCGKSA-N 0 3 300.406 2.447 20 30 DEEDHN N#Cc1ccc([C@@H](NCC[C@@H]2CC2(Cl)Cl)C(N)=O)cc1 ZINC000857247512 652087838 /nfs/dbraw/zinc/08/78/38/652087838.db2.gz WTWSOSCVPCHNNI-VXGBXAGGSA-N 0 3 312.200 2.258 20 30 DEEDHN N#Cc1ccc([C@H](NCC[C@@H]2CC2(Cl)Cl)C(N)=O)cc1 ZINC000857247509 652088300 /nfs/dbraw/zinc/08/83/00/652088300.db2.gz WTWSOSCVPCHNNI-NEPJUHHUSA-N 0 3 312.200 2.258 20 30 DEEDHN C#CC[C@H](CCOC)NCc1cc(OC)c(OC)cc1OC ZINC000858331599 652309507 /nfs/dbraw/zinc/30/95/07/652309507.db2.gz FXGUTHWKYOBIAX-CQSZACIVSA-N 0 3 307.390 2.230 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110718396 652425813 /nfs/dbraw/zinc/42/58/13/652425813.db2.gz QAZQGQWMEKETPQ-UHFFFAOYSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN(CCOC)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000852753004 652450267 /nfs/dbraw/zinc/45/02/67/652450267.db2.gz TVXVCOCUBFNUAL-SFHVURJKSA-N 0 3 319.445 2.323 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)Cc2cscn2)c1 ZINC000853118729 652505768 /nfs/dbraw/zinc/50/57/68/652505768.db2.gz OGSXIVCBQIGFQO-AWEZNQCLSA-N 0 3 313.382 2.019 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375086862 1158300775 /nfs/dbraw/zinc/30/07/75/1158300775.db2.gz QTMOPAWRADTSFL-BBRMVZONSA-N 0 3 305.397 2.489 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 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C=CCOc1cccnc1C(=O)N(C)[C@@H]1CCN(CCCF)C1 ZINC001033567912 689545649 /nfs/dbraw/zinc/54/56/49/689545649.db2.gz BPBJDMZFOPCGDQ-CQSZACIVSA-N 0 3 321.396 2.152 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001033603022 689556886 /nfs/dbraw/zinc/55/68/86/689556886.db2.gz IYPYERYLKOEWKU-CABCVRRESA-N 0 3 320.458 2.471 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001033607458 689558338 /nfs/dbraw/zinc/55/83/38/689558338.db2.gz QWFOVQVWKWNWPD-QGZVFWFLSA-N 0 3 315.417 2.367 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)nn(CC)c2Cl)C1 ZINC001033669906 689578236 /nfs/dbraw/zinc/57/82/36/689578236.db2.gz QLUALJLCFYYMRR-CYBMUJFWSA-N 0 3 322.840 2.034 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001033706466 689589523 /nfs/dbraw/zinc/58/95/23/689589523.db2.gz GWKWOYVLRONQFU-BBRMVZONSA-N 0 3 318.465 2.249 20 30 DEEDHN C=CCN1CCC(NC(=O)NC(C)(C)[C@@H]2CCCCO2)CC1 ZINC000875246274 689595438 /nfs/dbraw/zinc/59/54/38/689595438.db2.gz BRYQPYUUEMSTLO-HNNXBMFYSA-N 0 3 309.454 2.284 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ncnc3[nH]ccc32)C1 ZINC001033883271 689650042 /nfs/dbraw/zinc/65/00/42/689650042.db2.gz MWCNMTQBPWPXCP-CYBMUJFWSA-N 0 3 313.405 2.022 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001033935801 689667251 /nfs/dbraw/zinc/66/72/51/689667251.db2.gz KWIPHQZFBSPHKE-IAGOWNOFSA-N 0 3 311.429 2.058 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033960737 689674845 /nfs/dbraw/zinc/67/48/45/689674845.db2.gz HDCVVFSLNGFUEG-ZACQAIPSSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001033965756 689675606 /nfs/dbraw/zinc/67/56/06/689675606.db2.gz ZXTWYVYFXDAEMK-CQSZACIVSA-N 0 3 302.422 2.400 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001034013694 689692621 /nfs/dbraw/zinc/69/26/21/689692621.db2.gz QRPQUZZYOHHZIF-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)n(C)c2C)C1 ZINC001034033884 689701275 /nfs/dbraw/zinc/70/12/75/689701275.db2.gz DKJBLXJFPXXBGX-INIZCTEOSA-N 0 3 301.434 2.202 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ncc3n2CCCC3)C1 ZINC001034047433 689705125 /nfs/dbraw/zinc/70/51/25/689705125.db2.gz IRBLLEIPVFFQIQ-INIZCTEOSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034057611 689708955 /nfs/dbraw/zinc/70/89/55/689708955.db2.gz WUQCTBIITDAVSP-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CC[C@@H](CCOC)NC(=O)N(CCC)CCN1CCCCC1 ZINC000875916846 689716558 /nfs/dbraw/zinc/71/65/58/689716558.db2.gz OITFFYMIJVGJOZ-KRWDZBQOSA-N 0 3 323.481 2.322 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001034214857 689765323 /nfs/dbraw/zinc/76/53/23/689765323.db2.gz LGWKITSKNDQXNC-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001034237268 689775487 /nfs/dbraw/zinc/77/54/87/689775487.db2.gz RXGRCRHJIBRFTG-AWEZNQCLSA-N 0 3 319.453 2.194 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001034237668 689775775 /nfs/dbraw/zinc/77/57/75/689775775.db2.gz AOTHQKBNYDKFOY-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001034253596 689783418 /nfs/dbraw/zinc/78/34/18/689783418.db2.gz JIXRKJQYQMHORQ-GFCCVEGCSA-N 0 3 322.840 2.233 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001034295296 689799088 /nfs/dbraw/zinc/79/90/88/689799088.db2.gz DQTFOXGOSMUYOL-IRXDYDNUSA-N 0 3 314.429 2.394 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001034306415 689803816 /nfs/dbraw/zinc/80/38/16/689803816.db2.gz DYOMEJVXMVQAHG-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001034319112 689808727 /nfs/dbraw/zinc/80/87/27/689808727.db2.gz MRMJFFZPTYLKFJ-BZUAXINKSA-N 0 3 316.449 2.070 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001034329154 689811788 /nfs/dbraw/zinc/81/17/88/689811788.db2.gz DVIIUHMYBISLRY-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001034397320 689836340 /nfs/dbraw/zinc/83/63/40/689836340.db2.gz KGZPVXCQKVCZPT-CABCVRRESA-N 0 3 313.873 2.194 20 30 DEEDHN CC#CCN1CCCC[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001034427477 689845765 /nfs/dbraw/zinc/84/57/65/689845765.db2.gz YIUYRCXLFAJXDH-INIZCTEOSA-N 0 3 316.449 2.001 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000876551892 689853783 /nfs/dbraw/zinc/85/37/83/689853783.db2.gz ARHPOJJNWLDXLZ-ZDUSSCGKSA-N 0 3 324.808 2.058 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000876555489 689854739 /nfs/dbraw/zinc/85/47/39/689854739.db2.gz ADJPSHJTPDPLNF-ZDUSSCGKSA-N 0 3 323.824 2.170 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)NCCC ZINC000876557223 689856029 /nfs/dbraw/zinc/85/60/29/689856029.db2.gz GNAKXSVXORWIFE-GFCCVEGCSA-N 0 3 309.797 2.235 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000876562628 689857496 /nfs/dbraw/zinc/85/74/96/689857496.db2.gz VCZGUHGJAHMTLV-ZDUSSCGKSA-N 0 3 307.781 2.222 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000876696317 689906358 /nfs/dbraw/zinc/90/63/58/689906358.db2.gz SDNGROIJYMSBIN-WDEREUQCSA-N 0 3 301.173 2.360 20 30 DEEDHN CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCCN(CC#N)C1 ZINC001034479963 689866081 /nfs/dbraw/zinc/86/60/81/689866081.db2.gz CWMCCMWWBVZFCM-IAGOWNOFSA-N 0 3 320.481 2.135 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001034492077 689871833 /nfs/dbraw/zinc/87/18/33/689871833.db2.gz XJLDCMHJJWLHRU-MRXNPFEDSA-N 0 3 318.465 2.219 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)COc1cccc(F)c1 ZINC000876610810 689875661 /nfs/dbraw/zinc/87/56/61/689875661.db2.gz JFSPVABHQXJVRZ-ZWNOBZJWSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000876612310 689876408 /nfs/dbraw/zinc/87/64/08/689876408.db2.gz INSCCBXXSVHDPB-GFCCVEGCSA-N 0 3 309.753 2.052 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000876623772 689879166 /nfs/dbraw/zinc/87/91/66/689879166.db2.gz UAQYBDFCCPOPMK-NEPJUHHUSA-N 0 3 324.812 2.471 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(OC)cc(OC)c2)C1 ZINC001034512955 689880233 /nfs/dbraw/zinc/88/02/33/689880233.db2.gz ZXQGYSGESGSBPM-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(NC(=O)NCC)c1 ZINC000876625929 689880739 /nfs/dbraw/zinc/88/07/39/689880739.db2.gz JHUUQYXRXPOHED-GFCCVEGCSA-N 0 3 310.785 2.236 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000876646837 689887679 /nfs/dbraw/zinc/88/76/79/689887679.db2.gz YDFZAPDNQHLNIP-UONOGXRCSA-N 0 3 312.772 2.196 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001034537221 689889820 /nfs/dbraw/zinc/88/98/20/689889820.db2.gz LSHSDUHYPOMXEF-AWEZNQCLSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCN1CCCC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001034551514 689896111 /nfs/dbraw/zinc/89/61/11/689896111.db2.gz TUQPJPMVEQGEBN-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000876675502 689897806 /nfs/dbraw/zinc/89/78/06/689897806.db2.gz BYRTZKQIVXANIB-ZDUSSCGKSA-N 0 3 309.797 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000876707848 689910576 /nfs/dbraw/zinc/91/05/76/689910576.db2.gz CGYWOIRCXOWFQI-HNNXBMFYSA-N 0 3 321.852 2.422 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000876729347 689918474 /nfs/dbraw/zinc/91/84/74/689918474.db2.gz KPYLAXFFSVOXPQ-OLZOCXBDSA-N 0 3 305.809 2.472 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1nnc2ccccn21)C(C)C ZINC000876745759 689925243 /nfs/dbraw/zinc/92/52/43/689925243.db2.gz LBVFKTLDOUVJCB-YPMHNXCESA-N 0 3 321.812 2.013 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1nc2ccccc2n1C ZINC000876765155 689930466 /nfs/dbraw/zinc/93/04/66/689930466.db2.gz UDHNVTUONCSKEP-NSHDSACASA-N 0 3 306.797 2.002 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@H](NCc1cccc(C#N)n1)C1CC1 ZINC000877059108 690009613 /nfs/dbraw/zinc/00/96/13/690009613.db2.gz QRMNSMFMKGZTQC-HNNXBMFYSA-N 0 3 316.405 2.346 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000877133145 690026416 /nfs/dbraw/zinc/02/64/16/690026416.db2.gz XGQZUUPQUHIERN-UKRRQHHQSA-N 0 3 307.781 2.034 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC(=O)OC)c1cccc(C)c1 ZINC000877291884 690068509 /nfs/dbraw/zinc/06/85/09/690068509.db2.gz QEOGGBLBWAUIRY-UONOGXRCSA-N 0 3 324.808 2.185 20 30 DEEDHN COC(=O)C1(CNCc2cc(C#N)cnc2Cl)CCCC1 ZINC000877312836 690073343 /nfs/dbraw/zinc/07/33/43/690073343.db2.gz NPQTXQWMBLUSKR-UHFFFAOYSA-N 0 3 307.781 2.430 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC[C@H]1CCCO1)CC2 ZINC001035655177 690143876 /nfs/dbraw/zinc/14/38/76/690143876.db2.gz FAYFIRKYEDRKFH-MRXNPFEDSA-N 0 3 306.450 2.446 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1n[nH]c(C)c1C)CC2 ZINC001035676523 690149379 /nfs/dbraw/zinc/14/93/79/690149379.db2.gz WHKKIAIKWSTMJA-UHFFFAOYSA-N 0 3 302.422 2.141 20 30 DEEDHN COC1([C@H](C)NCc2cc(C#N)cnc2Cl)CCOCC1 ZINC000877596332 690162638 /nfs/dbraw/zinc/16/26/38/690162638.db2.gz LEMAEORUDULLIS-NSHDSACASA-N 0 3 309.797 2.280 20 30 DEEDHN C=CCn1cc(CN[C@H](C)CC[P@@](C)(=O)OCC)nn1 ZINC000877598549 690163748 /nfs/dbraw/zinc/16/37/48/690163748.db2.gz OVXWQNKORNOUIL-ODXCJYRJSA-N 0 3 300.343 2.277 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](OC)C1)CC2 ZINC001035742892 690165509 /nfs/dbraw/zinc/16/55/09/690165509.db2.gz SXBBCOPLQUTUGM-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CC2(C1)CCN(C(=O)c1cccc3nccn31)CC2 ZINC001035747771 690167202 /nfs/dbraw/zinc/16/72/02/690167202.db2.gz CMOUIPSXSGAHNZ-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]13CCC[C@H]1OCC3)CC2 ZINC001035750752 690167943 /nfs/dbraw/zinc/16/79/43/690167943.db2.gz QQZWDYZBJKADFO-APWZRJJASA-N 0 3 318.461 2.446 20 30 DEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cc(C#N)cnc2Cl)C1 ZINC000877623700 690170533 /nfs/dbraw/zinc/17/05/33/690170533.db2.gz XRFOHNHHRDRGPU-CFVMTHIKSA-N 0 3 323.824 2.262 20 30 DEEDHN 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C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)CCc2cnc[nH]2)C1 ZINC001370984609 1155662681 /nfs/dbraw/zinc/66/26/81/1155662681.db2.gz UXCPHRYAXCMVDL-UONOGXRCSA-N 0 3 324.856 2.312 20 30 DEEDHN C[C@H](CNC(=O)c1ccccn1)NCc1ccc(F)c(C#N)c1 ZINC001371096813 1155704109 /nfs/dbraw/zinc/70/41/09/1155704109.db2.gz RCVJHKXJUMGOKN-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN COCc1cccc(CN2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)c1 ZINC001372506681 1156483727 /nfs/dbraw/zinc/48/37/27/1156483727.db2.gz BQRXLFVUKYCQBS-WMLDXEAASA-N 0 3 315.417 2.073 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@](C)(O)C1CC1)C1CC1 ZINC001391784317 1156802302 /nfs/dbraw/zinc/80/23/02/1156802302.db2.gz DUZQZYNZSZKTLS-CVEARBPZSA-N 0 3 314.857 2.165 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc(OC)n1)C(C)C ZINC001392245558 1156911916 /nfs/dbraw/zinc/91/19/16/1156911916.db2.gz QMYXNPWPMBXDJE-CYBMUJFWSA-N 0 3 311.813 2.187 20 30 DEEDHN CC[C@H](F)C(=O)N(C)CCN(C)Cc1ccc(OCC#N)cc1 ZINC001392300414 1157004004 /nfs/dbraw/zinc/00/40/04/1157004004.db2.gz LMIZMYROJKLKEJ-INIZCTEOSA-N 0 3 321.396 2.227 20 30 DEEDHN CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001373564876 1157097382 /nfs/dbraw/zinc/09/73/82/1157097382.db2.gz GKTWCQWMMPSDMH-HOTGVXAUSA-N 0 3 300.406 2.221 20 30 DEEDHN COc1cccc(CN2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)c1C ZINC001373664233 1157235144 /nfs/dbraw/zinc/23/51/44/1157235144.db2.gz APGLHWHUTXZQKF-BBRMVZONSA-N 0 3 315.417 2.196 20 30 DEEDHN CC[C@H](CNC(=O)C[C@H]1CCOC1)NCc1ccc(C#N)s1 ZINC001373734411 1157323437 /nfs/dbraw/zinc/32/34/37/1157323437.db2.gz GDZFAEFNYIKWJC-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001403428809 1162879615 /nfs/dbraw/zinc/87/96/15/1162879615.db2.gz HGMLAOXKRBSOIW-QCEMKRCNSA-N 0 3 319.836 2.422 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@@H](C)N(C)C(=O)[C@H](C)C#N ZINC001374208903 1157727467 /nfs/dbraw/zinc/72/74/67/1157727467.db2.gz VUWPEPFSACSJGI-VXGBXAGGSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001403464252 1162890983 /nfs/dbraw/zinc/89/09/83/1162890983.db2.gz RUCSOSCVNSAQIG-HAQNSBGRSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001393854621 1158023007 /nfs/dbraw/zinc/02/30/07/1158023007.db2.gz YLNILGJPKYWHAP-UHFFFAOYSA-N 0 3 310.829 2.336 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001393962040 1158101574 /nfs/dbraw/zinc/10/15/74/1158101574.db2.gz IOJFDDQXOHMUHV-UWVGGRQHSA-N 0 3 318.402 2.213 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001394047106 1158203730 /nfs/dbraw/zinc/20/37/30/1158203730.db2.gz DQNNHCWIPLUVGH-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001394370741 1158437002 /nfs/dbraw/zinc/43/70/02/1158437002.db2.gz NKKWIKNUUQEFMT-XUXIUFHCSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H](CNCc1ccccc1F)C1CC1 ZINC001394413090 1158500151 /nfs/dbraw/zinc/50/01/51/1158500151.db2.gz AJMHRHVHQSCEGQ-WBMJQRKESA-N 0 3 303.381 2.312 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC001376706032 1159709418 /nfs/dbraw/zinc/70/94/18/1159709418.db2.gz LDEJNLZYEBBBEF-SWLSCSKDSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001377111980 1159909120 /nfs/dbraw/zinc/90/91/20/1159909120.db2.gz RHVZUASHPRYZNB-NSHDSACASA-N 0 3 323.824 2.126 20 30 DEEDHN C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCn1ccnc1 ZINC001397730625 1160426935 /nfs/dbraw/zinc/42/69/35/1160426935.db2.gz CIKRNQJEBVPDAY-HIFRSBDPSA-N 0 3 324.856 2.242 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001377753503 1160806457 /nfs/dbraw/zinc/80/64/57/1160806457.db2.gz KIALXASIOIACRG-MGPQQGTHSA-N 0 3 322.840 2.046 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001378038582 1160947790 /nfs/dbraw/zinc/94/77/90/1160947790.db2.gz PZJDKISNJNSMID-HNNXBMFYSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@H]2CCCCO2)C1 ZINC001398616064 1161018601 /nfs/dbraw/zinc/01/86/01/1161018601.db2.gz ADQNFORGYSWCES-HZSPNIEDSA-N 0 3 300.830 2.325 20 30 DEEDHN C[C@H](CNC(=O)c1nccs1)N(C)Cc1cccc(C#N)c1 ZINC001378155561 1161062034 /nfs/dbraw/zinc/06/20/34/1161062034.db2.gz ADWFEQWVJDSLBB-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@H](CNC(=O)c1ccsn1)NCc1ccc(C#N)c(F)c1 ZINC001398967196 1161171624 /nfs/dbraw/zinc/17/16/24/1161171624.db2.gz FASXDZIYQCMLLP-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CCN(CCNC(=O)c1cc(C)no1)Cc1cccc(C#N)c1 ZINC001399677078 1161515608 /nfs/dbraw/zinc/51/56/08/1161515608.db2.gz FURBJRCLMHWBAC-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN COc1cc(CN(CCNC(=O)[C@@H](C)C#N)C2CC2)ccc1C ZINC001400000988 1161630062 /nfs/dbraw/zinc/63/00/62/1161630062.db2.gz YYPWNVQDIPSTAU-AWEZNQCLSA-N 0 3 315.417 2.244 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CCn1cc(C)cn1)C(C)C ZINC001401357777 1161948374 /nfs/dbraw/zinc/94/83/74/1161948374.db2.gz UREMDKVVDBNBRL-CQSZACIVSA-N 0 3 312.845 2.065 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC1(F)F ZINC001401758745 1162113574 /nfs/dbraw/zinc/11/35/74/1162113574.db2.gz MDBQDVNGIHCTQU-SMDDNHRTSA-N 0 3 307.344 2.150 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001401772976 1162122509 /nfs/dbraw/zinc/12/25/09/1162122509.db2.gz USFBKLBMERMTEY-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001401772979 1162122735 /nfs/dbraw/zinc/12/27/35/1162122735.db2.gz USFBKLBMERMTEY-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001401940082 1162190520 /nfs/dbraw/zinc/19/05/20/1162190520.db2.gz MOHNSORVOLATTC-XHDPSFHLSA-N 0 3 301.365 2.211 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1ccc(F)cn1)C(C)(C)C ZINC001403954451 1163329069 /nfs/dbraw/zinc/32/90/69/1163329069.db2.gz OARQKFZUSCGQFN-FZMZJTMJSA-N 0 3 306.385 2.001 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001404447862 1163647603 /nfs/dbraw/zinc/64/76/03/1163647603.db2.gz NSXMVEHFINLCKL-HUUCEWRRSA-N 0 3 315.889 2.392 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cnnc(C)c1)C1CC1 ZINC001405424412 1164084784 /nfs/dbraw/zinc/08/47/84/1164084784.db2.gz IHBYMTRFYYORML-OAHLLOKOSA-N 0 3 308.813 2.026 20 30 DEEDHN Cc1conc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001405717477 1164202363 /nfs/dbraw/zinc/20/23/63/1164202363.db2.gz QZHFOZBYUTXXCL-GFCCVEGCSA-N 0 3 312.373 2.010 20 30 DEEDHN CC(=O)CCCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001406452887 1164613260 /nfs/dbraw/zinc/61/32/60/1164613260.db2.gz XYAWTHJZJHRGCY-LBPRGKRZSA-N 0 3 319.380 2.051 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CN(C)CCOc1cccc(Cl)c1 ZINC001406597232 1164716274 /nfs/dbraw/zinc/71/62/74/1164716274.db2.gz XZKYCFJMLXHNGS-CHWSQXEVSA-N 0 3 323.824 2.315 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001406601873 1164719861 /nfs/dbraw/zinc/71/98/61/1164719861.db2.gz CKAPUCSXQFRYPR-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CC(C)(F)F)CCOCC1 ZINC001408043822 1165444557 /nfs/dbraw/zinc/44/45/57/1165444557.db2.gz AMRBBHHFLWXTSQ-UHFFFAOYSA-N 0 3 310.772 2.039 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@H](C)C2)CCOCC1 ZINC001408047013 1165446607 /nfs/dbraw/zinc/44/66/07/1165446607.db2.gz QCIDKTZJRZMNMY-JSGCOSHPSA-N 0 3 314.857 2.430 20 30 DEEDHN Cc1ncc(CN2CCC3(C[C@@H]3NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001417957125 1167327523 /nfs/dbraw/zinc/32/75/23/1167327523.db2.gz SBXRGQJNZRCINB-FZMZJTMJSA-N 0 3 318.446 2.082 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418196538 1167478334 /nfs/dbraw/zinc/47/83/34/1167478334.db2.gz SHCIIQLORIQRDT-MNOVXSKESA-N 0 3 309.410 2.043 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCOc1cc(C)cc(C)c1 ZINC001418543018 1167801659 /nfs/dbraw/zinc/80/16/59/1167801659.db2.gz ZCFBEUXNIVXLCE-MRXNPFEDSA-N 0 3 317.433 2.280 20 30 DEEDHN CCCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(CCCF)C1 ZINC001418872159 1168026021 /nfs/dbraw/zinc/02/60/21/1168026021.db2.gz XIVMELWHDPVILI-AWEZNQCLSA-N 0 3 306.385 2.172 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001419069610 1168176097 /nfs/dbraw/zinc/17/60/97/1168176097.db2.gz VCDNLVXXOHWOBG-GXTWGEPZSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ncccc1OC)C1CC1 ZINC001419364186 1168424556 /nfs/dbraw/zinc/42/45/56/1168424556.db2.gz WMUQNHFCTMAQBO-MRXNPFEDSA-N 0 3 323.824 2.331 20 30 DEEDHN N#Cc1cc(C(=O)NCCC2CCN(C/C=C\Cl)CC2)c[nH]1 ZINC001419396920 1168443681 /nfs/dbraw/zinc/44/36/81/1168443681.db2.gz SEOPYPKWTCQSSF-KTAJNNJTSA-N 0 3 320.824 2.471 20 30 DEEDHN Cc1cccc(C)c1CN(C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001420193637 1169230801 /nfs/dbraw/zinc/23/08/01/1169230801.db2.gz MPRLOLWHKXIAEK-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN C[C@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C(F)(F)F ZINC001420460393 1169591492 /nfs/dbraw/zinc/59/14/92/1169591492.db2.gz QSFWIZYYDRAACO-DTWKUNHWSA-N 0 3 319.352 2.412 20 30 DEEDHN CCCN(CCNC(=O)[C@@H](C)C#N)Cc1ccccc1N(C)C ZINC001420576016 1169808595 /nfs/dbraw/zinc/80/85/95/1169808595.db2.gz AXMGORBZJFOCQZ-HNNXBMFYSA-N 0 3 316.449 2.240 20 30 DEEDHN CCO[C@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001420726047 1171088574 /nfs/dbraw/zinc/08/85/74/1171088574.db2.gz KBDRTACMUPCXQW-IAQYHMDHSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)Cc1[nH]cnc1C)C1CCCC1 ZINC001421168848 1171548387 /nfs/dbraw/zinc/54/83/87/1171548387.db2.gz LWZFNZRCVCYBRO-OAHLLOKOSA-N 0 3 324.856 2.278 20 30 DEEDHN Cc1ccncc1CN1CCC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421282971 1171669900 /nfs/dbraw/zinc/66/99/00/1171669900.db2.gz OZNJCYJTLRZWHD-YJBOKZPZSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2c(C)n[nH]c2C)CCCC1 ZINC001421848076 1172042616 /nfs/dbraw/zinc/04/26/16/1172042616.db2.gz KOVJKFWYCSGAQR-UHFFFAOYSA-N 0 3 324.856 2.340 20 30 DEEDHN CCCC(=O)N(C)[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001421873524 1172075653 /nfs/dbraw/zinc/07/56/53/1172075653.db2.gz ABRSEKXUULRPCI-ZDUSSCGKSA-N 0 3 303.406 2.303 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@H]1CC12CC2)C(C)C ZINC001422132756 1172331075 /nfs/dbraw/zinc/33/10/75/1172331075.db2.gz UNCFWYTZWRTFJS-VXGBXAGGSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ocnc2C(F)F)C1 ZINC001422280983 1172456169 /nfs/dbraw/zinc/45/61/69/1172456169.db2.gz ULYHCLDRWWCYQB-UHFFFAOYSA-N 0 3 319.739 2.463 20 30 DEEDHN C[C@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001422320120 1172488184 /nfs/dbraw/zinc/48/81/84/1172488184.db2.gz IGLADMLNBPNMRD-IUCAKERBSA-N 0 3 315.204 2.302 20 30 DEEDHN Cc1csc(CNC2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)n1 ZINC001422422686 1172574903 /nfs/dbraw/zinc/57/49/03/1172574903.db2.gz MQNKCKKACOZASD-XGNXJENSSA-N 0 3 320.462 2.470 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cn(C)nc1C ZINC001422433701 1172588430 /nfs/dbraw/zinc/58/84/30/1172588430.db2.gz QHLFARNTCXZYTG-UHFFFAOYSA-N 0 3 312.845 2.169 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001422481285 1172631263 /nfs/dbraw/zinc/63/12/63/1172631263.db2.gz JVIHNRAGWJBRBD-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)c1ccc(C#N)[nH]1 ZINC001422483787 1172635795 /nfs/dbraw/zinc/63/57/95/1172635795.db2.gz MYRJPPCLVDXXMR-VXGBXAGGSA-N 0 3 314.364 2.495 20 30 DEEDHN CCC1(C(=O)N[C@@H](C)CNCc2ccc(C#N)c(F)c2)CC1 ZINC001422694210 1172812768 /nfs/dbraw/zinc/81/27/68/1172812768.db2.gz BJJAYLRCBNLGMN-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001422918717 1172933787 /nfs/dbraw/zinc/93/37/87/1172933787.db2.gz TZJRLIIYFVMBNY-XDQVBPFNSA-N 0 3 300.830 2.038 20 30 DEEDHN CCC(=O)N(C)[C@H](CNCc1cc(C#N)ccc1F)C1CC1 ZINC001422958527 1172974384 /nfs/dbraw/zinc/97/43/84/1172974384.db2.gz ANOBGMQYFISFFI-MRXNPFEDSA-N 0 3 303.381 2.434 20 30 DEEDHN CO[C@H](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001423054445 1173046678 /nfs/dbraw/zinc/04/66/78/1173046678.db2.gz HUGQGFZZKQQJQU-CHWSQXEVSA-N 0 3 323.462 2.371 20 30 DEEDHN Cc1noc(C)c1CNC[C@@H](NC(=O)[C@H](C)C#N)C1CCCC1 ZINC001423518169 1173384658 /nfs/dbraw/zinc/38/46/58/1173384658.db2.gz SKGFDCZCJWNNRX-BDJLRTHQSA-N 0 3 318.421 2.216 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C2CCC2)CCOCC1 ZINC001424484137 1173805634 /nfs/dbraw/zinc/80/56/34/1173805634.db2.gz QQKFYTBVJLMJLC-CYBMUJFWSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@@H](NC(=O)COCC1CC1)[C@H](C)NCc1ccc(C#N)s1 ZINC001424759622 1173906458 /nfs/dbraw/zinc/90/64/58/1173906458.db2.gz AUHKSCGACJSNSE-NWDGAFQWSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1OCC ZINC001424862881 1173997416 /nfs/dbraw/zinc/99/74/16/1173997416.db2.gz PGGUEPKWIHHZFI-CHWSQXEVSA-N 0 3 302.846 2.238 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)[C@H](C)CNC(=O)[C@H](C)C#N)c1 ZINC001424918025 1174031063 /nfs/dbraw/zinc/03/10/63/1174031063.db2.gz DQMQORZBYWSOAJ-HZPDHXFCSA-N 0 3 317.433 2.278 20 30 DEEDHN COc1ccc(CN(C)[C@H](C)CNC(=O)[C@H](C)C#N)cc1C ZINC001424917835 1174031632 /nfs/dbraw/zinc/03/16/32/1174031632.db2.gz CUENIUNYTFRVPH-ZIAGYGMSSA-N 0 3 303.406 2.100 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001425319379 1174286402 /nfs/dbraw/zinc/28/64/02/1174286402.db2.gz IMIATFGZZLUHLV-PHZGNYQRSA-N 0 3 315.392 2.100 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(CNCC2(C#N)CCOCC2)CC1 ZINC001434540595 1178803124 /nfs/dbraw/zinc/80/31/24/1178803124.db2.gz NJNYHFOYNAAMTE-UHFFFAOYSA-N 0 3 323.437 2.201 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2cscn2)C1 ZINC001436364337 1179063371 /nfs/dbraw/zinc/06/33/71/1179063371.db2.gz BFVGKYWZHQJXMN-BJHJDKERSA-N 0 3 313.854 2.313 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(F)cncc1F ZINC001437376144 1179771943 /nfs/dbraw/zinc/77/19/43/1179771943.db2.gz KGEUFWVXWSOXQY-SECBINFHSA-N 0 3 303.740 2.210 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2c(c1)CCO2 ZINC001437404378 1179789664 /nfs/dbraw/zinc/78/96/64/1179789664.db2.gz XCBQCDOEKATPSQ-GFCCVEGCSA-N 0 3 308.809 2.472 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1CC12CC2)NCc1ccc(C#N)s1 ZINC001438341272 1180356424 /nfs/dbraw/zinc/35/64/24/1180356424.db2.gz 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DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001443800248 1183133193 /nfs/dbraw/zinc/13/31/93/1183133193.db2.gz UHLQCOIHMSUAKU-UKRRQHHQSA-N 0 3 305.447 2.373 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(CCCc2ccsc2)C1 ZINC001443800247 1183133387 /nfs/dbraw/zinc/13/33/87/1183133387.db2.gz UHLQCOIHMSUAKU-HIFRSBDPSA-N 0 3 305.447 2.373 20 30 DEEDHN CC[C@H](C[N-]C(=O)C(C)(F)F)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001443895276 1183190869 /nfs/dbraw/zinc/19/08/69/1183190869.db2.gz UQTOPIDRHNHZSG-GFCCVEGCSA-N 0 3 313.323 2.337 20 30 DEEDHN CC[C@H](CNC(=O)C[C@@H](C)OC)NCc1ccc(C#N)s1 ZINC001443901832 1183194871 /nfs/dbraw/zinc/19/48/71/1183194871.db2.gz CFHZDFSYVDELRF-VXGBXAGGSA-N 0 3 309.435 2.029 20 30 DEEDHN CC[C@@H](CNC(=O)c1oncc1C)NCc1ccc(C#N)s1 ZINC001444014196 1183255154 /nfs/dbraw/zinc/25/51/54/1183255154.db2.gz FTNOZHOIPIOMQE-NSHDSACASA-N 0 3 318.402 2.214 20 30 DEEDHN Cc1ccc(C(=O)NC[C@H](C)CNCc2ccccc2C#N)n1C ZINC001444281287 1183328304 /nfs/dbraw/zinc/32/83/04/1183328304.db2.gz 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001370565514 1149810861 /nfs/dbraw/zinc/81/08/61/1149810861.db2.gz NXRPAJOMYMCIAW-MGPQQGTHSA-N 0 3 308.809 2.443 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001370668519 1149826500 /nfs/dbraw/zinc/82/65/00/1149826500.db2.gz XFGHIQIJNPEKKY-QLFBSQMISA-N 0 3 319.380 2.052 20 30 DEEDHN Cc1csc(CNC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001106099995 782232515 /nfs/dbraw/zinc/23/25/15/782232515.db2.gz WNKXBTSXIQVQKB-UKRRQHHQSA-N 0 3 319.474 2.295 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCCc4cccnc43)C2)C1 ZINC001072909048 790298140 /nfs/dbraw/zinc/29/81/40/790298140.db2.gz JJRUCWQZPVQICN-MRXNPFEDSA-N 0 3 311.429 2.222 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(F)ccc(F)c3F)C2)C1 ZINC001072928292 790307158 /nfs/dbraw/zinc/30/71/58/790307158.db2.gz VUIQRJIWLWRKPU-UHFFFAOYSA-N 0 3 310.319 2.438 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001332676998 1149879267 /nfs/dbraw/zinc/87/92/67/1149879267.db2.gz 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CC#CCN1CC[C@@H](NC(=O)c2cc(C)nc(OC)c2)C[C@H]1C ZINC000947662972 783200494 /nfs/dbraw/zinc/20/04/94/783200494.db2.gz NMXXGHKTHPOCRU-GDBMZVCRSA-N 0 3 315.417 2.005 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ocnc2C2CC2)C[C@H]1C ZINC000947722251 783213089 /nfs/dbraw/zinc/21/30/89/783213089.db2.gz HENSLMHIPOUDDU-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C[C@@H]1C ZINC000947758245 783225158 /nfs/dbraw/zinc/22/51/58/783225158.db2.gz KPUWXBWCZGUIRI-WMZOPIPTSA-N 0 3 323.440 2.279 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)C[C@@H]1C ZINC000947742623 783219877 /nfs/dbraw/zinc/21/98/77/783219877.db2.gz ZAYFCHGRUXCEON-HOCLYGCPSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)C[C@H]1C ZINC000947759050 783225952 /nfs/dbraw/zinc/22/59/52/783225952.db2.gz WSQYAAGKOWAOAL-GDBMZVCRSA-N 0 3 322.412 2.293 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)[C@@H](O)C1 ZINC001090540227 790340551 /nfs/dbraw/zinc/34/05/51/790340551.db2.gz 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C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3onc(C)c3C)C(C)(C)[C@@H]21 ZINC001087292409 777738731 /nfs/dbraw/zinc/73/87/31/777738731.db2.gz KYLMTBNNRMZVIQ-FVQBIDKESA-N 0 3 315.417 2.143 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C)co1 ZINC001087299733 777749494 /nfs/dbraw/zinc/74/94/94/777749494.db2.gz AQTHHGJZSGDSQX-VNQPRFMTSA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3csc(C)n3)C(C)(C)[C@H]21 ZINC001087300423 777750643 /nfs/dbraw/zinc/75/06/43/777750643.db2.gz KNYUVLFUNHTOCX-SNPRPXQTSA-N 0 3 317.458 2.304 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3conc3CC)C(C)(C)[C@H]21 ZINC001087302143 777752590 /nfs/dbraw/zinc/75/25/90/777752590.db2.gz OCHCAPSTUWICPV-KCXAZCMYSA-N 0 3 315.417 2.089 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1occc1C ZINC001087303628 777755908 /nfs/dbraw/zinc/75/59/08/777755908.db2.gz PIPYHJFTMAFVBA-FHLIZLRMSA-N 0 3 314.429 2.369 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)CC(C)C)C[C@H]1C(F)(F)F ZINC001112036954 778110488 /nfs/dbraw/zinc/11/04/88/778110488.db2.gz YFIZEDFNAXOTLV-CHWSQXEVSA-N 0 3 322.371 2.214 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1C(F)(F)F ZINC001112041393 778132283 /nfs/dbraw/zinc/13/22/83/778132283.db2.gz MVRQGUWDDOKRRS-BFHYXJOUSA-N 0 3 314.351 2.345 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001090847751 790596918 /nfs/dbraw/zinc/59/69/18/790596918.db2.gz BCABKDJZGBVRNS-KBPBESRZSA-N 0 3 308.466 2.186 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105318823 778444119 /nfs/dbraw/zinc/44/41/19/778444119.db2.gz PRUIOWZTNXGURK-KRWDZBQOSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3ccc(C)cc3C)C2)C1 ZINC001073420299 790647693 /nfs/dbraw/zinc/64/76/93/790647693.db2.gz VZPXRATUPUTLAJ-UHFFFAOYSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCCCC(=O)NCCNCc1ccccc1OC(C)C ZINC001126333713 778739813 /nfs/dbraw/zinc/73/98/13/778739813.db2.gz MQORJBCMBPDVKC-UHFFFAOYSA-N 0 3 302.418 2.483 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2[nH]cnc2CC)CC1 ZINC001167929035 778906166 /nfs/dbraw/zinc/90/61/66/778906166.db2.gz FCWLSLNXLRXHPM-UHFFFAOYSA-N 0 3 310.829 2.214 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@H]1C(F)(F)F ZINC001112133056 779025406 /nfs/dbraw/zinc/02/54/06/779025406.db2.gz AHOFBDFBNKLTOH-OPRDCNLKSA-N 0 3 314.298 2.443 20 30 DEEDHN N#Cc1cc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c[nH]1 ZINC001075709527 779037119 /nfs/dbraw/zinc/03/71/19/779037119.db2.gz KJJKBNKSLJSVTB-MAUKXSAKSA-N 0 3 320.396 2.233 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC001167998367 779235097 /nfs/dbraw/zinc/23/50/97/779235097.db2.gz NWWZAADWWNGNPR-JKSUJKDBSA-N 0 3 315.392 2.339 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H](C)OC)CC1 ZINC001105389677 779261545 /nfs/dbraw/zinc/26/15/45/779261545.db2.gz WAUCEHHIIGDPRZ-MAUKXSAKSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C3CCC3)nn2)[C@H]1CC ZINC001087574657 779359931 /nfs/dbraw/zinc/35/99/31/779359931.db2.gz RIZUHVGZOXJRQS-GOEBONIOSA-N 0 3 317.437 2.162 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@H]1CC ZINC001087588045 779367326 /nfs/dbraw/zinc/36/73/26/779367326.db2.gz XJOMZRUCSFGFTR-WCQYABFASA-N 0 3 312.364 2.355 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2nc(C)sc2C)[C@H]1CC ZINC001087625219 779384220 /nfs/dbraw/zinc/38/42/20/779384220.db2.gz XYTYWIGODHJUAA-GOEBONIOSA-N 0 3 319.474 2.295 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H]1CC ZINC001087637652 779389207 /nfs/dbraw/zinc/38/92/07/779389207.db2.gz BROMPWVMXCSDPS-LSDHHAIUSA-N 0 3 302.422 2.057 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1CC ZINC001087642634 779390069 /nfs/dbraw/zinc/39/00/69/779390069.db2.gz ZTRASQXORQHICW-LSDHHAIUSA-N 0 3 311.385 2.434 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)[C@H]1CC ZINC001087643369 779392307 /nfs/dbraw/zinc/39/23/07/779392307.db2.gz OWYIFNQASAQXGZ-UONOGXRCSA-N 0 3 324.856 2.080 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)[C@H]1CC ZINC001087659846 779401992 /nfs/dbraw/zinc/40/19/92/779401992.db2.gz DOHRGBIOSGJRHS-QWHCGFSZSA-N 0 3 315.373 2.302 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)[C@H]1CC ZINC001087736918 779428033 /nfs/dbraw/zinc/42/80/33/779428033.db2.gz RIADLJLBCKTKSE-JKSUJKDBSA-N 0 3 300.402 2.390 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2sc(C)nc2C)[C@H]1CC ZINC001087822221 779468425 /nfs/dbraw/zinc/46/84/25/779468425.db2.gz CAKKJGFUWHRBFO-UONOGXRCSA-N 0 3 305.447 2.366 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)[C@H]1CC ZINC001087854142 779488114 /nfs/dbraw/zinc/48/81/14/779488114.db2.gz VFVLTCGGVPQVPG-BBWFWOEESA-N 0 3 314.429 2.454 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001073560259 790719695 /nfs/dbraw/zinc/71/96/95/790719695.db2.gz IAEGFIOUZVFVSS-HNNXBMFYSA-N 0 3 306.406 2.293 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)[C@@H]2C1 ZINC001075833476 779662647 /nfs/dbraw/zinc/66/26/47/779662647.db2.gz UETFYXMIMVWXRP-WCQYABFASA-N 0 3 310.348 2.001 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001073586923 790730214 /nfs/dbraw/zinc/73/02/14/790730214.db2.gz CINMJALEBMSCCH-CQSZACIVSA-N 0 3 306.406 2.239 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3cc(C)ccc3F)C[C@@H]2C1 ZINC001088177730 779756187 /nfs/dbraw/zinc/75/61/87/779756187.db2.gz UCLLGMIGRFULHJ-WBVHZDCISA-N 0 3 314.404 2.090 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC001088193278 779767571 /nfs/dbraw/zinc/76/75/71/779767571.db2.gz UIZUFMONSPYYFB-MOPGFXCFSA-N 0 3 310.441 2.259 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)n3c(C)ccc3C)C[C@@H]2C1 ZINC001088211854 779774258 /nfs/dbraw/zinc/77/42/58/779774258.db2.gz CSFHNGJOQQJWIR-KSZLIROESA-N 0 3 313.445 2.079 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(F)s3)C[C@@H]2C1 ZINC001088218496 779778709 /nfs/dbraw/zinc/77/87/09/779778709.db2.gz SYIDXIPTQCKYBB-OLZOCXBDSA-N 0 3 306.406 2.304 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001088236032 779792404 /nfs/dbraw/zinc/79/24/04/779792404.db2.gz JMWIQGQKBAIRJL-CVEARBPZSA-N 0 3 312.429 2.250 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088316266 779939084 /nfs/dbraw/zinc/93/90/84/779939084.db2.gz VQOIZSSPIOIUEU-XHSDSOJGSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2c(C)ncn2C)C1 ZINC001088331083 779975688 /nfs/dbraw/zinc/97/56/88/779975688.db2.gz PMXDSFGUBNZMDG-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001073631356 790754255 /nfs/dbraw/zinc/75/42/55/790754255.db2.gz PKAHLBNRNNWPTK-KGLIPLIRSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001073637333 790759811 /nfs/dbraw/zinc/75/98/11/790759811.db2.gz WQGHTEXFNINNJT-AWEZNQCLSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001073681100 790786526 /nfs/dbraw/zinc/78/65/26/790786526.db2.gz CWDSVEXFGZRJNB-CQSZACIVSA-N 0 3 320.458 2.155 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2oc(C)nc2C)[C@H](OC)C1 ZINC001212071061 780607964 /nfs/dbraw/zinc/60/79/64/780607964.db2.gz 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780952904 /nfs/dbraw/zinc/95/29/04/780952904.db2.gz LNZCVANOVODNRW-OCCSQVGLSA-N 0 3 307.463 2.458 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3nn2)[C@H]1C ZINC001088784888 780982956 /nfs/dbraw/zinc/98/29/56/780982956.db2.gz ZKMMNLMJOUFMHZ-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001073752302 790845217 /nfs/dbraw/zinc/84/52/17/790845217.db2.gz UPNQKPFTJZHRKE-AEFFLSMTSA-N 0 3 314.429 2.110 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(OC)c3)[C@@H]2C1 ZINC001076012742 781078363 /nfs/dbraw/zinc/07/83/63/781078363.db2.gz WJUCLLIPUNTNIU-JKSUJKDBSA-N 0 3 300.402 2.336 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3occ4c3CCC4)[C@@H]2C1 ZINC001076088369 781113708 /nfs/dbraw/zinc/11/37/08/781113708.db2.gz GAOWDIFEYWZHFI-XJKSGUPXSA-N 0 3 300.402 2.491 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)[C@@H]2C1 ZINC001076099305 781119728 /nfs/dbraw/zinc/11/97/28/781119728.db2.gz VDAIBGVMZPTMKO-DZGCQCFKSA-N 0 3 301.390 2.274 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)[C@@H]2C1 ZINC001076190542 781159604 /nfs/dbraw/zinc/15/96/04/781159604.db2.gz KCBAYOCWMOKEBS-XJKSGUPXSA-N 0 3 306.356 2.226 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c(C)noc3C)[C@@H]2C1 ZINC001076334268 781217879 /nfs/dbraw/zinc/21/78/79/781217879.db2.gz STRJWDYYJWPTOF-YLQAJVPDSA-N 0 3 317.433 2.189 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4cccnn43)[C@@H]2C1 ZINC001076334333 781218061 /nfs/dbraw/zinc/21/80/61/781218061.db2.gz WEJUFHUBOBATBR-WMLDXEAASA-N 0 3 310.401 2.057 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)nc3OC)[C@@H]2C1 ZINC001076330944 781221646 /nfs/dbraw/zinc/22/16/46/781221646.db2.gz RTEWDLZXYHDQDZ-GOEBONIOSA-N 0 3 315.417 2.121 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001076364789 781234300 /nfs/dbraw/zinc/23/43/00/781234300.db2.gz RQUWXJIBMWJEPF-VBNZEHGJSA-N 0 3 316.449 2.239 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)N(C)CC4)[C@@H]2C1 ZINC001076519074 781291784 /nfs/dbraw/zinc/29/17/84/781291784.db2.gz MVIAHDUJDIHTJZ-FUHWJXTLSA-N 0 3 311.429 2.011 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3OCc4ccccc43)[C@@H]2C1 ZINC001076514152 781294081 /nfs/dbraw/zinc/29/40/81/781294081.db2.gz URXSJYNIGOUWHR-BMGDILEWSA-N 0 3 312.413 2.367 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccc(F)c(F)c3)[C@@H]2C1 ZINC001076637246 781332872 /nfs/dbraw/zinc/33/28/72/781332872.db2.gz PWUWNOYLHOJTPK-BLLLJJGKSA-N 0 3 322.355 2.062 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001077149644 781503963 /nfs/dbraw/zinc/50/39/63/781503963.db2.gz QNSYTFGZEHJZKU-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2onc3c2CCCC3)C1 ZINC001091140662 790929237 /nfs/dbraw/zinc/92/92/37/790929237.db2.gz JQYSSRFINBZSJZ-UHFFFAOYSA-N 0 3 323.824 2.404 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncc3ccccn32)C1 ZINC001091143553 790929303 /nfs/dbraw/zinc/92/93/03/790929303.db2.gz XCILGJOKROPHRB-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nccnc32)C[C@@H]1C ZINC000947858011 783249482 /nfs/dbraw/zinc/24/94/82/783249482.db2.gz WANRJXSHBYIPBN-KBPBESRZSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C[C@H]1C ZINC000947879134 783254544 /nfs/dbraw/zinc/25/45/44/783254544.db2.gz WMLXORDSKFJLOI-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(OC)cccc2OC)C[C@@H]1C ZINC000947970715 783280307 /nfs/dbraw/zinc/28/03/07/783280307.db2.gz AOGGTIFUDIAOEW-KBPBESRZSA-N 0 3 318.417 2.473 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)C)C[C@@H]1C ZINC000948030681 783297706 /nfs/dbraw/zinc/29/77/06/783297706.db2.gz HWJKORBNRJDBMY-GJZGRUSLSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001089654245 783325281 /nfs/dbraw/zinc/32/52/81/783325281.db2.gz IJARHOHLDAVXDB-ZDUSSCGKSA-N 0 3 320.437 2.220 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001073871716 790932291 /nfs/dbraw/zinc/93/22/91/790932291.db2.gz KWHNSCZPPQQMJI-GOSISDBHSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001073876948 790933320 /nfs/dbraw/zinc/93/33/20/790933320.db2.gz RBFFFKSROBCCJN-KRWDZBQOSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000948384308 783446603 /nfs/dbraw/zinc/44/66/03/783446603.db2.gz AIKSSYANVLMGIZ-SQNIBIBYSA-N 0 3 320.477 2.384 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccnn2C(F)F)CC1 ZINC000948404738 783456319 /nfs/dbraw/zinc/45/63/19/783456319.db2.gz LAMDPLMPPDIEKT-CYBMUJFWSA-N 0 3 324.375 2.228 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)nnc2C)CC1 ZINC000948412400 783457435 /nfs/dbraw/zinc/45/74/35/783457435.db2.gz NABSRLYAKBPHMP-MRXNPFEDSA-N 0 3 314.433 2.043 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccnn2CC(C)C)CC1 ZINC000948416908 783459386 /nfs/dbraw/zinc/45/93/86/783459386.db2.gz SFXBLDOBOQBFDL-INIZCTEOSA-N 0 3 316.449 2.099 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(OCC)nc2)CC1 ZINC000948425843 783461076 /nfs/dbraw/zinc/46/10/76/783461076.db2.gz SSPSTVVSCFISNY-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000948461547 783475378 /nfs/dbraw/zinc/47/53/78/783475378.db2.gz YHTIAMDFVIAQLU-KRWDZBQOSA-N 0 3 324.428 2.464 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(C)nc2C)C1 ZINC001073899287 790946669 /nfs/dbraw/zinc/94/66/69/790946669.db2.gz PQUMQDFXHDIKQX-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cnn(C)c2Cl)CC1 ZINC000948554150 783499399 /nfs/dbraw/zinc/49/93/99/783499399.db2.gz RGZQHUXOTGYIBH-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001073905098 790949353 /nfs/dbraw/zinc/94/93/53/790949353.db2.gz VPGWKUPGACYKRN-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000948638530 783543516 /nfs/dbraw/zinc/54/35/16/783543516.db2.gz CRZOHWRGQCVWHT-BBWFWOEESA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000966102528 783563051 /nfs/dbraw/zinc/56/30/51/783563051.db2.gz JBJFREMEILSXFN-HZPDHXFCSA-N 0 3 307.482 2.264 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(NC(C)=O)c1C ZINC001171199347 790954153 /nfs/dbraw/zinc/95/41/53/790954153.db2.gz ZFOTXLDLCHTBSY-UHFFFAOYSA-N 0 3 323.824 2.415 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC000966387848 783651293 /nfs/dbraw/zinc/65/12/93/783651293.db2.gz PFCPAKYBGBFFRK-ZBFHGGJFSA-N 0 3 316.449 2.102 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC000966493803 783674730 /nfs/dbraw/zinc/67/47/30/783674730.db2.gz VTWASKQDZWWLSL-JKSUJKDBSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000966632463 783715174 /nfs/dbraw/zinc/71/51/74/783715174.db2.gz KSXXWFYGQNGUNI-GUYCJALGSA-N 0 3 317.433 2.104 20 30 DEEDHN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966812226 783766370 /nfs/dbraw/zinc/76/63/70/783766370.db2.gz KSRRXOAXTZXJRQ-YPMHNXCESA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966916424 783819790 /nfs/dbraw/zinc/81/97/90/783819790.db2.gz SSVRMPVMKFZURU-GUYCJALGSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)Oc1ccccc1C ZINC001114901488 783865882 /nfs/dbraw/zinc/86/58/82/783865882.db2.gz KVMCUQWPNCQVLZ-UIBIWLFHSA-N 0 3 314.429 2.385 20 30 DEEDHN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC000967090408 783881321 /nfs/dbraw/zinc/88/13/21/783881321.db2.gz TYSJRWMITIOIJU-RDTXWAMCSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C(F)F)n1 ZINC001085620060 783888820 /nfs/dbraw/zinc/88/88/20/783888820.db2.gz FRWWIUNUZVHXJE-GFCCVEGCSA-N 0 3 312.364 2.309 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001085630264 783906840 /nfs/dbraw/zinc/90/68/40/783906840.db2.gz PCLZLDGXPKLTHF-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(COC)c2)C1 ZINC000967269154 783918227 /nfs/dbraw/zinc/91/82/27/783918227.db2.gz SLVJNMYAFRAUMH-YJBOKZPZSA-N 0 3 314.429 2.297 20 30 DEEDHN CS[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000967272669 783922294 /nfs/dbraw/zinc/92/22/94/783922294.db2.gz RQQSWKFYZMREDT-SMDDNHRTSA-N 0 3 321.421 2.139 20 30 DEEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC000967401476 783980233 /nfs/dbraw/zinc/98/02/33/783980233.db2.gz BVAKGXYJDQMOEC-KGLIPLIRSA-N 0 3 321.421 2.480 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3cncs3)C2)s1 ZINC000967415902 783991102 /nfs/dbraw/zinc/99/11/02/783991102.db2.gz MPFVAGFJLHIXMN-SNVBAGLBSA-N 0 3 318.427 2.081 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2cnccc2c1 ZINC001085725715 784008673 /nfs/dbraw/zinc/00/86/73/784008673.db2.gz CYURPWWXEMRONA-INIZCTEOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2nonc2c1 ZINC001085796475 784090413 /nfs/dbraw/zinc/09/04/13/784090413.db2.gz RVQSRBYNOYTEGQ-CQSZACIVSA-N 0 3 314.389 2.335 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccncc2C1 ZINC001085818808 784107920 /nfs/dbraw/zinc/10/79/20/784107920.db2.gz JSCXYHQJPIJFSS-SJLPKXTDSA-N 0 3 313.445 2.295 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(CC)nn(C)c1Cl ZINC001085916289 784207142 /nfs/dbraw/zinc/20/71/42/784207142.db2.gz WDRQQIQBYYPBCK-GFCCVEGCSA-N 0 3 324.856 2.358 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001073998768 791006413 /nfs/dbraw/zinc/00/64/13/791006413.db2.gz DDASPKMGWCEAAB-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)OCCO2 ZINC001085969842 784269588 /nfs/dbraw/zinc/26/95/88/784269588.db2.gz MEXAGTIYSLYSKP-HNNXBMFYSA-N 0 3 316.401 2.180 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001085999619 784300896 /nfs/dbraw/zinc/30/08/96/784300896.db2.gz NZMKXBQKHQHIAX-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC000968346540 784307874 /nfs/dbraw/zinc/30/78/74/784307874.db2.gz WLTMKNMBNYHRCB-YJBOKZPZSA-N 0 3 313.445 2.036 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C=C3CCC3)C2)cc1F ZINC000968376067 784335935 /nfs/dbraw/zinc/33/59/35/784335935.db2.gz JLRSDKXBPBBUAB-MRXNPFEDSA-N 0 3 313.376 2.498 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnc3n2CCCC3)C1 ZINC001091199594 791017111 /nfs/dbraw/zinc/01/71/11/791017111.db2.gz REUXBAYYYBKGLA-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC000968394971 784355475 /nfs/dbraw/zinc/35/54/75/784355475.db2.gz HNWXGCABXSQLRA-BXUZGUMPSA-N 0 3 322.840 2.455 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517280 784440982 /nfs/dbraw/zinc/44/09/82/784440982.db2.gz KIMFATPGLTXFSO-KSSFIOAISA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968602619 784494752 /nfs/dbraw/zinc/49/47/52/784494752.db2.gz RUXJBELKBYKBIV-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968610589 784500151 /nfs/dbraw/zinc/50/01/51/784500151.db2.gz RBSPJYRGBCGLMA-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968668557 784531449 /nfs/dbraw/zinc/53/14/49/784531449.db2.gz CPQWEZUIZCXVPT-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968680861 784536941 /nfs/dbraw/zinc/53/69/41/784536941.db2.gz DTEZFRSZXOZJSK-BBRMVZONSA-N 0 3 304.459 2.449 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC000968703690 784549065 /nfs/dbraw/zinc/54/90/65/784549065.db2.gz YRWCGMDGZBFNLK-NVXWUHKLSA-N 0 3 313.445 2.216 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC000968837047 784615025 /nfs/dbraw/zinc/61/50/25/784615025.db2.gz KWADSQJIFDTMPJ-DLBZAZTESA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1c(C)nnn1CC ZINC000968888409 784637516 /nfs/dbraw/zinc/63/75/16/784637516.db2.gz UQEBIFZTGCYTRX-OAHLLOKOSA-N 0 3 319.453 2.157 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001086384286 784639147 /nfs/dbraw/zinc/63/91/47/784639147.db2.gz NQVNIHYHMJLFPS-TUVASFSCSA-N 0 3 314.857 2.284 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000969042161 784701066 /nfs/dbraw/zinc/70/10/66/784701066.db2.gz JMTJBNSBVUBICN-IXDOHACOSA-N 0 3 316.449 2.070 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC000969046122 784704000 /nfs/dbraw/zinc/70/40/00/784704000.db2.gz AQCXAIMMFGFJMR-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC000969050205 784705209 /nfs/dbraw/zinc/70/52/09/784705209.db2.gz RFTIVIQYPXFDMQ-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC000969079740 784716418 /nfs/dbraw/zinc/71/64/18/784716418.db2.gz WNNHNUKVUDDGKO-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001086503657 784799379 /nfs/dbraw/zinc/79/93/79/784799379.db2.gz GSNBLTOJSSMCQI-HAQNSBGRSA-N 0 3 311.813 2.396 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)CC1CCOCC1 ZINC001156119401 784825879 /nfs/dbraw/zinc/82/58/79/784825879.db2.gz GFQPFBCVLPKHCB-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(CC)CCCCC2)[C@H](O)C1 ZINC001100125174 784909540 /nfs/dbraw/zinc/90/95/40/784909540.db2.gz UFIAANYGKQXOQC-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007472910 784929289 /nfs/dbraw/zinc/92/92/89/784929289.db2.gz NWBRGOLZWLKCPF-KRWDZBQOSA-N 0 3 309.413 2.465 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)nc2)CN1C(=O)OC(C)(C)C ZINC001168835603 784934521 /nfs/dbraw/zinc/93/45/21/784934521.db2.gz UJWGMAFZRWDVBM-DOMZBBRYSA-N 0 3 316.405 2.441 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001007496711 784936204 /nfs/dbraw/zinc/93/62/04/784936204.db2.gz SKDFIPCAQMEIMP-OAHLLOKOSA-N 0 3 323.396 2.158 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001008305108 785168729 /nfs/dbraw/zinc/16/87/29/785168729.db2.gz PJGHPWCSHNONPO-HNNXBMFYSA-N 0 3 312.417 2.262 20 30 DEEDHN CN(C)/C=N/c1ccc(NC[C@@H](O)C(F)(F)F)cc1C#N ZINC001169460081 785205999 /nfs/dbraw/zinc/20/59/99/785205999.db2.gz ZYJYNZWBKKZQNV-OZOTYFBYSA-N 0 3 300.284 2.115 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001008521903 785229478 /nfs/dbraw/zinc/22/94/78/785229478.db2.gz NHMGCDDUYLZZIB-MRXNPFEDSA-N 0 3 312.417 2.413 20 30 DEEDHN N#CCc1nc(Cl)cc(N2CCCc3ccc(CN)nc32)n1 ZINC001169585049 785265346 /nfs/dbraw/zinc/26/53/46/785265346.db2.gz YZPWCAYNNQPAMD-UHFFFAOYSA-N 0 3 314.780 2.134 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001008851618 785316253 /nfs/dbraw/zinc/31/62/53/785316253.db2.gz YAFPOBBZLHQRPR-SFHVURJKSA-N 0 3 322.412 2.294 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1cc(OC)no1 ZINC001169704746 785316357 /nfs/dbraw/zinc/31/63/57/785316357.db2.gz DKIVFBSHOSBJCU-ZDUSSCGKSA-N 0 3 309.410 2.414 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2nc3ccccn3c2F)C1 ZINC001009089558 785380945 /nfs/dbraw/zinc/38/09/45/785380945.db2.gz ZJDHDXIOBUTSQE-ZDUSSCGKSA-N 0 3 316.380 2.244 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001009560241 785481068 /nfs/dbraw/zinc/48/10/68/785481068.db2.gz NQERLIHXRJJLIC-AWEZNQCLSA-N 0 3 307.825 2.379 20 30 DEEDHN Cc1cc(CN[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C#CC(C)C)C3)on1 ZINC001108681816 785492662 /nfs/dbraw/zinc/49/26/62/785492662.db2.gz VZGNWQOAWSEBQD-JYJNAYRXSA-N 0 3 315.417 2.112 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001009789318 785537048 /nfs/dbraw/zinc/53/70/48/785537048.db2.gz SPHIMNSYGKXOHA-GFCCVEGCSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccsc1)C2 ZINC001108882899 785590690 /nfs/dbraw/zinc/59/06/90/785590690.db2.gz HMSZOFIJAYQKBZ-PMPSAXMXSA-N 0 3 320.458 2.215 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001156529457 785646852 /nfs/dbraw/zinc/64/68/52/785646852.db2.gz AQTWVYXCEIXTAB-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001109064746 785683411 /nfs/dbraw/zinc/68/34/11/785683411.db2.gz AAEGBBSUDGDSJU-SQNIBIBYSA-N 0 3 314.429 2.153 20 30 DEEDHN CS[C@H](C)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156753561 785900539 /nfs/dbraw/zinc/90/05/39/785900539.db2.gz IRXIWEDZXSZENY-GFCCVEGCSA-N 0 3 323.437 2.435 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)c1ccccc1)C2 ZINC001110005807 786125265 /nfs/dbraw/zinc/12/52/65/786125265.db2.gz DQQWHVUOOCLWQU-VSZNYVQBSA-N 0 3 312.413 2.119 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cncnc2C(C)C)C1 ZINC001086553789 786210318 /nfs/dbraw/zinc/21/03/18/786210318.db2.gz FCVABJLIAOLAFO-JOCQHMNTSA-N 0 3 322.840 2.451 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001112965466 786332022 /nfs/dbraw/zinc/33/20/22/786332022.db2.gz JUVRMKRVXBITGK-QGZVFWFLSA-N 0 3 307.482 2.217 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001157395058 786341118 /nfs/dbraw/zinc/34/11/18/786341118.db2.gz FSOUFCJZCJFTRO-WBVHZDCISA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnc2)C1 ZINC001086571842 786376389 /nfs/dbraw/zinc/37/63/89/786376389.db2.gz QWEHBINIARHJSU-RBUKOAKNSA-N 0 3 319.408 2.303 20 30 DEEDHN C=CCCCN1CCN(C(=O)c2ccc3cncn3c2C)CC1 ZINC001113055273 786385828 /nfs/dbraw/zinc/38/58/28/786385828.db2.gz ROOQVXAGFIYSBJ-UHFFFAOYSA-N 0 3 312.417 2.367 20 30 DEEDHN CCCN(C)CC(=O)N[C@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113125727 786410275 /nfs/dbraw/zinc/41/02/75/786410275.db2.gz XOTGEXVAVYXNLE-QWHCGFSZSA-N 0 3 320.412 2.344 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(OC)cn2)CC1 ZINC001113256152 786484377 /nfs/dbraw/zinc/48/43/77/786484377.db2.gz ABDISHREWLVXBI-OAHLLOKOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C(Cl)CN1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001113438847 786593699 /nfs/dbraw/zinc/59/36/99/786593699.db2.gz KXYZSOOPBDIBFY-UHFFFAOYSA-N 0 3 315.889 2.395 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C[C@@H](C)OC)C1 ZINC001014982798 786839473 /nfs/dbraw/zinc/83/94/73/786839473.db2.gz YHPPGTXGBHIEIV-HUUCEWRRSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H](O)C1 ZINC001090462716 786843198 /nfs/dbraw/zinc/84/31/98/786843198.db2.gz IJVNHPMKTRQQSK-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)CCCCNCc1cnns1 ZINC001170283149 786900528 /nfs/dbraw/zinc/90/05/28/786900528.db2.gz RZUWLLKIFCGJFP-CQSZACIVSA-N 0 3 322.478 2.496 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001015372721 787021084 /nfs/dbraw/zinc/02/10/84/787021084.db2.gz LAOJWZZGKWUYTK-AWEZNQCLSA-N 0 3 306.356 2.030 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1CN(C)C)C2 ZINC001095931685 787274320 /nfs/dbraw/zinc/27/43/20/787274320.db2.gz LDILVXJFPGQONJ-PMPSAXMXSA-N 0 3 317.433 2.252 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C(F)=C(C)C)C1 ZINC001130372598 787362585 /nfs/dbraw/zinc/36/25/85/787362585.db2.gz CJXKKVMUHDRHFR-GFCCVEGCSA-N 0 3 306.385 2.265 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC001130540160 787419801 /nfs/dbraw/zinc/41/98/01/787419801.db2.gz XZGMEBKMNRQGDH-LZWOXQAQSA-N 0 3 315.392 2.339 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)c1 ZINC001095988217 787436449 /nfs/dbraw/zinc/43/64/49/787436449.db2.gz ZTYIDRLDYPTHDN-IEAZIUSSSA-N 0 3 315.392 2.146 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CC(=C)C)C[C@H]1c1cn(C)cn1 ZINC001130656749 787453923 /nfs/dbraw/zinc/45/39/23/787453923.db2.gz OIZNYIAQTGQPES-HLLBOEOZSA-N 0 3 316.449 2.092 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)CCCC)n1 ZINC001130868626 787491299 /nfs/dbraw/zinc/49/12/99/787491299.db2.gz DJSYICYUZKIONS-GJZGRUSLSA-N 0 3 320.437 2.287 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)C2 ZINC001096120874 787512264 /nfs/dbraw/zinc/51/22/64/787512264.db2.gz LIRWUMXYRKWPAP-SZGLYPCISA-N 0 3 320.436 2.317 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001096118166 787512668 /nfs/dbraw/zinc/51/26/68/787512668.db2.gz KQLRIASLECZLAD-IPYPFGDCSA-N 0 3 301.390 2.463 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOc3ccccc31)C2 ZINC001096178774 787562614 /nfs/dbraw/zinc/56/26/14/787562614.db2.gz TWSSXQLETVCSBE-UBDQQSCGSA-N 0 3 324.424 2.298 20 30 DEEDHN C[C@H](Nc1ccc(C#C[Si](C)(C)C)cn1)[C@H]1CNCCO1 ZINC001170558847 787609203 /nfs/dbraw/zinc/60/92/03/787609203.db2.gz RQQNTGVMIRLXIY-DZGCQCFKSA-N 0 3 303.482 2.099 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001086670042 787639282 /nfs/dbraw/zinc/63/92/82/787639282.db2.gz JJQXOUDIDDGRAA-SMDDNHRTSA-N 0 3 311.788 2.461 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131632973 787666944 /nfs/dbraw/zinc/66/69/44/787666944.db2.gz OWBDDTJWNSAMME-SJLPKXTDSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccc(C)nc2)CC[C@@H]1C ZINC001131804332 787746005 /nfs/dbraw/zinc/74/60/05/787746005.db2.gz YAVPNGXZVVZLND-DOTOQJQBSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131849862 787770977 /nfs/dbraw/zinc/77/09/77/787770977.db2.gz VCOUFJZQJQBHJX-GJZGRUSLSA-N 0 3 314.495 2.301 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CCOCC1)C2 ZINC001096674925 787791295 /nfs/dbraw/zinc/79/12/95/787791295.db2.gz QXVHBGSWCDGLNJ-SIXLDLHFSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CCc2cnn(CC)c2)C1 ZINC001131896910 787800900 /nfs/dbraw/zinc/80/09/00/787800900.db2.gz XHGFOXYEDPGVGA-WBVHZDCISA-N 0 3 318.465 2.381 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCOCC(F)F)CC[C@@H]1C ZINC001132049385 787912545 /nfs/dbraw/zinc/91/25/45/787912545.db2.gz CNOPIDFOGVLFFK-QWHCGFSZSA-N 0 3 304.381 2.203 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)CCOCC1 ZINC001132095544 787925769 /nfs/dbraw/zinc/92/57/69/787925769.db2.gz ZLNBYNIULJHKRK-HOTGVXAUSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001132121027 787933011 /nfs/dbraw/zinc/93/30/11/787933011.db2.gz YNZZAXJFALHILV-HOCLYGCPSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)CC[C@H]1C ZINC001132127875 787939474 /nfs/dbraw/zinc/93/94/74/787939474.db2.gz FRRLWPAXCUWYDM-CVEARBPZSA-N 0 3 319.449 2.417 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2cncc(OC)c2)CC[C@@H]1C ZINC001132164802 787954478 /nfs/dbraw/zinc/95/44/78/787954478.db2.gz JZOQFIRRFYQFTE-HOCLYGCPSA-N 0 3 317.433 2.178 20 30 DEEDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001097052892 787959648 /nfs/dbraw/zinc/95/96/48/787959648.db2.gz CNXNMWMJUHQMAX-JOCQHMNTSA-N 0 3 318.396 2.098 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccc(C)cc2)CC[C@H]1C ZINC001132469658 788089737 /nfs/dbraw/zinc/08/97/37/788089737.db2.gz UMRODJOLVDEJGX-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2c[nH]cc2C)CC[C@@H]1C ZINC001132482520 788097345 /nfs/dbraw/zinc/09/73/45/788097345.db2.gz WLYPWSOHRZQECO-GJZGRUSLSA-N 0 3 305.422 2.108 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccccc1N(C)C ZINC001132569833 788134612 /nfs/dbraw/zinc/13/46/12/788134612.db2.gz ZIBLSHNQUFCEPA-CABCVRRESA-N 0 3 303.450 2.417 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132653493 788152258 /nfs/dbraw/zinc/15/22/58/788152258.db2.gz MWJKYPDBUAEEIQ-CQSZACIVSA-N 0 3 318.417 2.266 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)ccn1)C2 ZINC001097632458 788154595 /nfs/dbraw/zinc/15/45/95/788154595.db2.gz YHBAPYHTHQXWNU-XPKDYRNWSA-N 0 3 301.390 2.001 20 30 DEEDHN COc1ccc(CNCCNC(=O)C(C)(C)C2CC2)cc1C#N ZINC001132671221 788161739 /nfs/dbraw/zinc/16/17/39/788161739.db2.gz KFAPBMMNNSJAEP-UHFFFAOYSA-N 0 3 315.417 2.209 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2nccn2C)C1 ZINC001133091246 788279213 /nfs/dbraw/zinc/27/92/13/788279213.db2.gz PICRKUATGSWRKU-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@H]2Cc3ccccc32)ccc1F ZINC001133125823 788289683 /nfs/dbraw/zinc/28/96/83/788289683.db2.gz XHIVAZQOYUPHGC-KRWDZBQOSA-N 0 3 323.371 2.243 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2Cc3ccccc32)s1 ZINC001133125721 788289985 /nfs/dbraw/zinc/28/99/85/788289985.db2.gz WHDXIGWBVDKOHH-MRXNPFEDSA-N 0 3 311.410 2.165 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OCC#C)cc1)C2 ZINC001097996022 788316445 /nfs/dbraw/zinc/31/64/45/788316445.db2.gz RGZITWFZFNCOED-QRQLOZEOSA-N 0 3 322.408 2.057 20 30 DEEDHN Cc1ncoc1CNCCCC[C@@H](C)NC(=O)C#CC1CC1 ZINC001170675540 788335755 /nfs/dbraw/zinc/33/57/55/788335755.db2.gz ZKCRBLZPJUGJQS-CYBMUJFWSA-N 0 3 303.406 2.161 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3ccnc13)C2 ZINC001098026716 788341752 /nfs/dbraw/zinc/34/17/52/788341752.db2.gz HDWVIVREORYXLE-BMFZPTHFSA-N 0 3 310.401 2.246 20 30 DEEDHN C=CCCC1(C(=O)NCCN[C@@H](C)C(=O)NC(CC)CC)CC1 ZINC001133378628 788391605 /nfs/dbraw/zinc/39/16/05/788391605.db2.gz IXQQEZHYFREKOX-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001133908651 788666988 /nfs/dbraw/zinc/66/69/88/788666988.db2.gz AESZITLZMCFHKG-NWDGAFQWSA-N 0 3 311.451 2.027 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001134118868 788770066 /nfs/dbraw/zinc/77/00/66/788770066.db2.gz IMGULRQGOWKFSL-HOCLYGCPSA-N 0 3 316.449 2.352 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)CCC=C(C)C ZINC001134191074 788797530 /nfs/dbraw/zinc/79/75/30/788797530.db2.gz XTNILPVABSJTGO-HOTGVXAUSA-N 0 3 323.481 2.156 20 30 DEEDHN Cc1nnsc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134328972 788874607 /nfs/dbraw/zinc/87/46/07/788874607.db2.gz HZRCVJIMDWWYQY-NWDGAFQWSA-N 0 3 322.478 2.269 20 30 DEEDHN Cc1nc(C)c(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)o1 ZINC001134346067 788888816 /nfs/dbraw/zinc/88/88/16/788888816.db2.gz YSLQFJRYVGEWPR-CHWSQXEVSA-N 0 3 305.422 2.324 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)c1cc[nH]c1 ZINC001134448205 788926558 /nfs/dbraw/zinc/92/65/58/788926558.db2.gz LSAKMRYEJTYBNN-QWRGUYRKSA-N 0 3 314.227 2.410 20 30 DEEDHN C=CCCC(=O)N1CCC(CC)(NC(=O)CN(C)CCC)CC1 ZINC001069238455 788967304 /nfs/dbraw/zinc/96/73/04/788967304.db2.gz GNIRCAUMYKJHHE-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCCC(=O)NC1(CC)CCN(C(=O)CN(CC)CC)CC1 ZINC001069388255 789028344 /nfs/dbraw/zinc/02/83/44/789028344.db2.gz GWVMWDPAKAKFNT-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnco1 ZINC001135122806 789208243 /nfs/dbraw/zinc/20/82/43/789208243.db2.gz ICGQBGCAAPWZDB-VHSXEESVSA-N 0 3 316.199 2.070 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001135236026 789254815 /nfs/dbraw/zinc/25/48/15/789254815.db2.gz PKOCBZBWPINUOA-ZIAGYGMSSA-N 0 3 318.465 2.414 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2=CCCC2)C1 ZINC001070403466 789312177 /nfs/dbraw/zinc/31/21/77/789312177.db2.gz TYPAXDRWAMKWCK-CQSZACIVSA-N 0 3 300.406 2.112 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2nccn2C)C1 ZINC001135420006 789342765 /nfs/dbraw/zinc/34/27/65/789342765.db2.gz RWWYPLMUIPAYQH-ZIAGYGMSSA-N 0 3 304.438 2.149 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1ncccn1)NCc1ccccc1C#N ZINC001135730174 789470116 /nfs/dbraw/zinc/47/01/16/789470116.db2.gz NPOZAOONGPGQFK-KGLIPLIRSA-N 0 3 323.400 2.035 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1CCCC1)C[C@@H](C)O2 ZINC001071122606 789533891 /nfs/dbraw/zinc/53/38/91/789533891.db2.gz WAIXYKFCGQEJGV-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccoc1)C[C@@H](C)O2 ZINC001071137082 789551096 /nfs/dbraw/zinc/55/10/96/789551096.db2.gz VFLMNBNIJQWXHZ-RHSMWYFYSA-N 0 3 304.390 2.161 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CC(C)(C)C)C[C@H](C)O2 ZINC001071138951 789552849 /nfs/dbraw/zinc/55/28/49/789552849.db2.gz MSEGUIHQFQFXBR-YJBOKZPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCC(=C)Cl)C1 ZINC001086806242 789564047 /nfs/dbraw/zinc/56/40/47/789564047.db2.gz JWCDUIRDCNYRAL-YJNKXOJESA-N 0 3 312.841 2.205 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1CC(C)(C)C1)C[C@@H](C)O2 ZINC001071166924 789570629 /nfs/dbraw/zinc/57/06/29/789570629.db2.gz QBBUJSMGAXDZJT-DNVCBOLYSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cocc1C)C[C@@H](C)O2 ZINC001071195425 789583965 /nfs/dbraw/zinc/58/39/65/789583965.db2.gz XRUOIZQLMAVTRN-CRAIPNDOSA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@@H](C)O2 ZINC001071200552 789589443 /nfs/dbraw/zinc/58/94/43/789589443.db2.gz YWCLBYPDVCDWCH-VQIMIIECSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001086814531 789598134 /nfs/dbraw/zinc/59/81/34/789598134.db2.gz ZGDJARYDENWKHI-QWHCGFSZSA-N 0 3 323.824 2.336 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071355315 789677550 /nfs/dbraw/zinc/67/75/50/789677550.db2.gz BHMRFFLEBSSNNF-VKJFTORMSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(C)nc2C2CC2)CC[C@@H]1C ZINC001071540887 789767350 /nfs/dbraw/zinc/76/73/50/789767350.db2.gz XORMPTAECDJDGT-DZGCQCFKSA-N 0 3 316.449 2.456 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)CC[C@@H]1C ZINC001071576321 789790146 /nfs/dbraw/zinc/79/01/46/789790146.db2.gz CFTHJVKJORGUAV-RYUDHWBXSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@@H]1C ZINC001071626622 789824817 /nfs/dbraw/zinc/82/48/17/789824817.db2.gz XYLYRDQRYGZCFR-YOEHRIQHSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)c(C)nc2C)CC[C@H]1C ZINC001071666254 789850745 /nfs/dbraw/zinc/85/07/45/789850745.db2.gz LWCWOQSYKFGRGI-WBMJQRKESA-N 0 3 314.433 2.008 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ncc3ccccn32)CC[C@@H]1C ZINC001071679076 789859366 /nfs/dbraw/zinc/85/93/66/789859366.db2.gz IRUCFZZUGKHBLR-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn3ccnc3c2)CC[C@@H]1C ZINC001071679985 789861116 /nfs/dbraw/zinc/86/11/16/789861116.db2.gz PROMUFBKGKLFBT-HOCLYGCPSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn3ccnc3c2)CC[C@@H]1C ZINC001071679984 789861466 /nfs/dbraw/zinc/86/14/66/789861466.db2.gz PROMUFBKGKLFBT-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(C3CC3)CCOCC2)CC[C@@H]1C ZINC001071704889 789877727 /nfs/dbraw/zinc/87/77/27/789877727.db2.gz HFXRKGISJRTEHV-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)ccc2OC)CC[C@@H]1C ZINC001071724075 789889448 /nfs/dbraw/zinc/88/94/48/789889448.db2.gz APJAFWMFORIDNU-DZGCQCFKSA-N 0 3 318.392 2.440 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)CC[C@@H]1C ZINC001071765632 789909791 /nfs/dbraw/zinc/90/97/91/789909791.db2.gz IHGZFAJWCRGGJS-GJZGRUSLSA-N 0 3 317.433 2.102 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ncccc2OC)CC[C@H]1C ZINC001071768907 789911372 /nfs/dbraw/zinc/91/13/72/789911372.db2.gz GDVZLSQTMAHQJC-CABCVRRESA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccncc2Cl)CC[C@@H]1C ZINC001071821848 789930871 /nfs/dbraw/zinc/93/08/71/789930871.db2.gz SUPBDFVRBAAVLJ-JSGCOSHPSA-N 0 3 307.825 2.433 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccn3ccnc23)CC[C@H]1C ZINC001071882791 789956833 /nfs/dbraw/zinc/95/68/33/789956833.db2.gz AIHIENLMTSYFFK-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN CC(=O)N1CC[C@@H](C)[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001072137130 790065489 /nfs/dbraw/zinc/06/54/89/790065489.db2.gz HITODOOKRBKZCI-WBMJQRKESA-N 0 3 303.381 2.291 20 30 DEEDHN CC(F)(F)C(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001072391271 790131459 /nfs/dbraw/zinc/13/14/59/790131459.db2.gz AOUBSRNBULPCIU-UHFFFAOYSA-N 0 3 319.355 2.248 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)C4CCC4)C3)C2)cc1 ZINC001072389042 790131541 /nfs/dbraw/zinc/13/15/41/790131541.db2.gz OZJNJJAABXPKNJ-UHFFFAOYSA-N 0 3 309.413 2.393 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001072431152 790143284 /nfs/dbraw/zinc/14/32/84/790143284.db2.gz GVYFIRSCNAPOSO-RHSMWYFYSA-N 0 3 309.413 2.249 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnc([C@@H](C)OC)s3)C2)C1 ZINC001072738321 790234805 /nfs/dbraw/zinc/23/48/05/790234805.db2.gz OLYOLUHWPKXHGP-GFCCVEGCSA-N 0 3 321.446 2.184 20 30 DEEDHN C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001091497776 791203880 /nfs/dbraw/zinc/20/38/80/791203880.db2.gz KCVCLRCTFZFBCE-KDOFPFPSSA-N 0 3 300.402 2.362 20 30 DEEDHN C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001091497776 791203888 /nfs/dbraw/zinc/20/38/88/791203888.db2.gz KCVCLRCTFZFBCE-KDOFPFPSSA-N 0 3 300.402 2.362 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001074805329 791316606 /nfs/dbraw/zinc/31/66/06/791316606.db2.gz ZPHDZKRFJAFYLC-LRHZJYQRSA-N 0 3 315.392 2.432 20 30 DEEDHN C=CCCOCC(=O)N[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001146693412 791343010 /nfs/dbraw/zinc/34/30/10/791343010.db2.gz TWIXUMAKYKXEDA-QWHCGFSZSA-N 0 3 323.437 2.257 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2cnns2)[C@H](C)C1 ZINC001075314512 791580057 /nfs/dbraw/zinc/58/00/57/791580057.db2.gz GHUBPCRPXSVRPO-CHWSQXEVSA-N 0 3 322.478 2.325 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCOc3cccc(F)c3)C2)C1 ZINC001147676734 791593259 /nfs/dbraw/zinc/59/32/59/791593259.db2.gz UEOLIWYYVNFROY-UHFFFAOYSA-N 0 3 318.392 2.315 20 30 DEEDHN C=CCC[C@@H](C)NCc1cn([C@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098599359 791659798 /nfs/dbraw/zinc/65/97/98/791659798.db2.gz ZTCMRSLQQIXGPJ-ZBFHGGJFSA-N 0 3 319.453 2.296 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)CCCF)C3)C2)cc1 ZINC001148071778 791674392 /nfs/dbraw/zinc/67/43/92/791674392.db2.gz PXQPPNUCAPMJCC-UHFFFAOYSA-N 0 3 315.392 2.342 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(F)c3C)C[C@]2(C)C1 ZINC001091690655 791719350 /nfs/dbraw/zinc/71/93/50/791719350.db2.gz KOESTFMBCBPAEB-KDOFPFPSSA-N 0 3 300.377 2.161 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)COCCCCCC)C2)C1 ZINC001148672923 791792004 /nfs/dbraw/zinc/79/20/04/791792004.db2.gz QCEZZOXQIAIPPN-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001086907449 791845163 /nfs/dbraw/zinc/84/51/63/791845163.db2.gz UAOZHNBEOKNLLW-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cncc(C)c3)C2)CC1 ZINC001086913162 791848329 /nfs/dbraw/zinc/84/83/29/791848329.db2.gz JHHSJWZRBXZQOD-MRXNPFEDSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCOCC3)C2)CC1 ZINC001086919629 791851724 /nfs/dbraw/zinc/85/17/24/791851724.db2.gz UPHSJHQNYLQQLT-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCOCC3)C2)CC1 ZINC001086919631 791851755 /nfs/dbraw/zinc/85/17/55/791851755.db2.gz UPHSJHQNYLQQLT-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccncc3CC)C[C@]2(C)C1 ZINC001091801457 791885193 /nfs/dbraw/zinc/88/51/93/791885193.db2.gz SILCQIIOAYAJGX-APWZRJJASA-N 0 3 311.429 2.061 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)C[C@]2(C)C1 ZINC001091985616 791913364 /nfs/dbraw/zinc/91/33/64/791913364.db2.gz AJMODINIGQCEBW-WBMJQRKESA-N 0 3 305.809 2.085 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccn3C(C)C)C[C@]2(C)C1 ZINC001092279521 791961579 /nfs/dbraw/zinc/96/15/79/791961579.db2.gz DBXBSTYJMVTQHY-APWZRJJASA-N 0 3 313.445 2.486 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cccnc3n2)C1 ZINC001098848236 791962084 /nfs/dbraw/zinc/96/20/84/791962084.db2.gz BNEDTVYNJBKWOQ-KXBFYZLASA-N 0 3 322.412 2.400 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(OCC)n2)C1 ZINC001098922757 791984564 /nfs/dbraw/zinc/98/45/64/791984564.db2.gz UXMFJNPKUSJUEE-GUYCJALGSA-N 0 3 319.405 2.234 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC1CC1 ZINC001098981740 792014818 /nfs/dbraw/zinc/01/48/18/792014818.db2.gz FOUIMYOJPRXLQG-HOCLYGCPSA-N 0 3 321.465 2.179 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csc3cncn32)C1 ZINC001099061489 792070243 /nfs/dbraw/zinc/07/02/43/792070243.db2.gz BDAYBPHCLTZDDN-LRDDRELGSA-N 0 3 316.430 2.166 20 30 DEEDHN C[C@H](O)CN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001099069682 792073036 /nfs/dbraw/zinc/07/30/36/792073036.db2.gz LAERFBLRCOAPOQ-LSDHHAIUSA-N 0 3 308.466 2.024 20 30 DEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099093139 792088823 /nfs/dbraw/zinc/08/88/23/792088823.db2.gz MMUZZOUKZRCKSH-INIZCTEOSA-N 0 3 308.466 2.354 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nc(C)oc2C)C1 ZINC001099093197 792089312 /nfs/dbraw/zinc/08/93/12/792089312.db2.gz XQJIRTUWRUIUNI-YOEHRIQHSA-N 0 3 303.406 2.452 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001099101154 792095296 /nfs/dbraw/zinc/09/52/96/792095296.db2.gz KMCQUGKSMPJNCW-GUYCJALGSA-N 0 3 300.406 2.057 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c3cccnc23)C1 ZINC001099121661 792103903 /nfs/dbraw/zinc/10/39/03/792103903.db2.gz FLHGGWYQVOTCSI-LIRRHRJNSA-N 0 3 322.412 2.171 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001099121430 792104866 /nfs/dbraw/zinc/10/48/66/792104866.db2.gz YPPZNERPEXMCIS-IEZWGBDMSA-N 0 3 311.429 2.179 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC001092768528 792132927 /nfs/dbraw/zinc/13/29/27/792132927.db2.gz KNLSMRBBTVZFLJ-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC)c1ccccc1 ZINC001110136643 792136663 /nfs/dbraw/zinc/13/66/63/792136663.db2.gz KEMGBXWOBGLHMI-OWSLCNJRSA-N 0 3 314.429 2.324 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2nc(Cl)sc2C)[C@H](C)C1 ZINC001092812115 792139117 /nfs/dbraw/zinc/13/91/17/792139117.db2.gz GAEDKFNLDWTJBL-MWLCHTKSSA-N 0 3 311.838 2.036 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001099227627 792143663 /nfs/dbraw/zinc/14/36/63/792143663.db2.gz NARXXGBXQLFAAN-GHMZBOCLSA-N 0 3 320.355 2.157 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C(F)(F)F ZINC001099224955 792144354 /nfs/dbraw/zinc/14/43/54/792144354.db2.gz SSWWETNLAXWROS-NXEZZACHSA-N 0 3 319.352 2.312 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cnoc2CC)C[C@H]1C(F)(F)F ZINC001099317230 792169775 /nfs/dbraw/zinc/16/97/75/792169775.db2.gz WLPYWZRUKQQMFK-GHMZBOCLSA-N 0 3 317.311 2.016 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3occc3s2)[C@H](C)C1 ZINC001092958421 792175153 /nfs/dbraw/zinc/17/51/53/792175153.db2.gz YLHQGAQJGNSNES-VXGBXAGGSA-N 0 3 302.399 2.425 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001099379385 792188881 /nfs/dbraw/zinc/18/88/81/792188881.db2.gz JILXVXMPYBEXJK-GOEBONIOSA-N 0 3 318.465 2.316 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001111472337 792189291 /nfs/dbraw/zinc/18/92/91/792189291.db2.gz NMAZZNCEJHOFAH-DZUCGIPZSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CC(C)(F)F)CC2(CCOCC2)C1 ZINC001099592547 792256000 /nfs/dbraw/zinc/25/60/00/792256000.db2.gz DRDLREDBOWQLLW-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccccc2)[C@H](O)C1 ZINC001099979703 792428310 /nfs/dbraw/zinc/42/83/10/792428310.db2.gz ZKIDAJSGWGRLHO-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2cccs2)[C@H](O)C1 ZINC001100104129 792474458 /nfs/dbraw/zinc/47/44/58/792474458.db2.gz WXGIXPYRBQFJEW-JKSUJKDBSA-N 0 3 322.474 2.198 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCC=C)C[C@H]1c1ccc(OC)cc1 ZINC001100154928 792489546 /nfs/dbraw/zinc/48/95/46/792489546.db2.gz 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/nfs/dbraw/zinc/99/55/24/792995524.db2.gz ZXDWPKJZHCGZEG-IEBWSBKVSA-N 0 3 311.429 2.500 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@]2(C)C1 ZINC001101248736 793084820 /nfs/dbraw/zinc/08/48/20/793084820.db2.gz QKGCTNXKKIDOJC-APWZRJJASA-N 0 3 320.477 2.099 20 30 DEEDHN C[C@@H](C(=O)NCCCNCc1ccccc1C#N)c1cccnc1 ZINC001171493166 793100083 /nfs/dbraw/zinc/10/00/83/793100083.db2.gz HLLXVWPOBSUDGM-OAHLLOKOSA-N 0 3 322.412 2.353 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101323809 793117094 /nfs/dbraw/zinc/11/70/94/793117094.db2.gz CIXBSCGRUGQGPZ-MJGOQNOKSA-N 0 3 300.446 2.374 20 30 DEEDHN CC[C@@H](C)CCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101403733 793144572 /nfs/dbraw/zinc/14/45/72/793144572.db2.gz RWKCQOCBIWKQHR-LMMKCTJWSA-N 0 3 320.477 2.243 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC1)C2 ZINC001094832909 793151325 /nfs/dbraw/zinc/15/13/25/793151325.db2.gz IJAIDJZMVPRAII-KKXDTOCCSA-N 0 3 309.413 2.437 20 30 DEEDHN C=CCC[C@@H](C)N1CC2(C1)C[C@@H](NC(=O)C(F)F)c1nccn12 ZINC001101599817 793262630 /nfs/dbraw/zinc/26/26/30/793262630.db2.gz XHHUJTUFFXQIDM-VXGBXAGGSA-N 0 3 324.375 2.075 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC)cc1OC ZINC001171935636 793266834 /nfs/dbraw/zinc/26/68/34/793266834.db2.gz AWSOFPAIPJZXQS-UHFFFAOYSA-N 0 3 312.797 2.166 20 30 DEEDHN N#Cc1cncc(CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)c1 ZINC001172665375 793473435 /nfs/dbraw/zinc/47/34/35/793473435.db2.gz YYINLDSIVDVIAN-GOSISDBHSA-N 0 3 320.396 2.234 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN([C@H](C)c2cnccn2)C[C@H]1C ZINC001102229842 793537194 /nfs/dbraw/zinc/53/71/94/793537194.db2.gz FYSCJNNDRVHTPR-RBSFLKMASA-N 0 3 316.449 2.434 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC[C@](C)(O)C2)C[C@H]1C#N ZINC001172983448 793551509 /nfs/dbraw/zinc/55/15/09/793551509.db2.gz GAJBGPDQYKRHFH-ZQIUZPCESA-N 0 3 323.437 2.125 20 30 DEEDHN C=CCOC1CCC(N2CCOC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001173320355 793691397 /nfs/dbraw/zinc/69/13/97/793691397.db2.gz HBSKEDIQOYBZBB-JXQTWKCFSA-N 0 3 323.355 2.126 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)COC)C1 ZINC001102773337 793750450 /nfs/dbraw/zinc/75/04/50/793750450.db2.gz DTFMSEMWFFYSLA-MBNYWOFBSA-N 0 3 302.846 2.096 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174849157 794085119 /nfs/dbraw/zinc/08/51/19/794085119.db2.gz KCDQTHVLGPCSMG-ZIAGYGMSSA-N 0 3 321.469 2.480 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001174848702 794085474 /nfs/dbraw/zinc/08/54/74/794085474.db2.gz GMGOZPYBQSSZGR-HUUCEWRRSA-N 0 3 321.469 2.182 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110182096 794153624 /nfs/dbraw/zinc/15/36/24/794153624.db2.gz WBINLYQHEWSCQD-IKGGRYGDSA-N 0 3 324.465 2.116 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCC(C)CC1)C2 ZINC001110194782 794415050 /nfs/dbraw/zinc/41/50/50/794415050.db2.gz AOIUKLRCJDBJTG-OAGCAAQDSA-N 0 3 318.461 2.327 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001111776972 794477118 /nfs/dbraw/zinc/47/71/18/794477118.db2.gz IOMVNVNKERZBQM-BQFCYCMXSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccncc2)C1 ZINC001111797024 794484097 /nfs/dbraw/zinc/48/40/97/794484097.db2.gz SJFQIRGZPWJSJM-HKUYNNGSSA-N 0 3 311.429 2.008 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCOCC(C)C)C[C@H]1C(F)(F)F ZINC001112053986 794549219 /nfs/dbraw/zinc/54/92/19/794549219.db2.gz LWGKGQNBFMZNKA-CHWSQXEVSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CSCCC)C[C@H]1C(F)(F)F ZINC001112058664 794551776 /nfs/dbraw/zinc/55/17/76/794551776.db2.gz KEUXVSQLYLAIIO-GHMZBOCLSA-N 0 3 310.385 2.295 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C(F)(F)F ZINC001112124348 794562015 /nfs/dbraw/zinc/56/20/15/794562015.db2.gz GALBFFVISNKUQT-VXGBXAGGSA-N 0 3 320.330 2.271 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115273549 794718702 /nfs/dbraw/zinc/71/87/02/794718702.db2.gz NZGCIKRJPJJXQI-MWDXBVQZSA-N 0 3 310.482 2.412 20 30 DEEDHN Cc1oncc1CNC1(CNC(=O)[C@@H](C)C#N)CCCCC1 ZINC001115453061 794778417 /nfs/dbraw/zinc/77/84/17/794778417.db2.gz GITCLCZEWWBGBJ-LBPRGKRZSA-N 0 3 304.394 2.051 20 30 DEEDHN C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CSCC#N ZINC001178156058 794844740 /nfs/dbraw/zinc/84/47/40/794844740.db2.gz JCTIUMZLCGUDBB-UWVGGRQHSA-N 0 3 322.261 2.141 20 30 DEEDHN Cc1ncoc1CNCCCCCCNC(=O)C#CC1CC1 ZINC001178446211 794916655 /nfs/dbraw/zinc/91/66/55/794916655.db2.gz QRIBQQRDWKXZSZ-UHFFFAOYSA-N 0 3 303.406 2.163 20 30 DEEDHN C#CCOc1ccccc1CNCCC(=O)N1CCC[C@@H](C)C1 ZINC001116014959 794935813 /nfs/dbraw/zinc/93/58/13/794935813.db2.gz GELDQAAZUIYUTA-MRXNPFEDSA-N 0 3 314.429 2.437 20 30 DEEDHN N#CCOc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC001116140715 794941220 /nfs/dbraw/zinc/94/12/20/794941220.db2.gz RFGNVZIUYWWBMJ-HNNXBMFYSA-N 0 3 312.373 2.067 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC001116555198 794966772 /nfs/dbraw/zinc/96/67/72/794966772.db2.gz NEXLWUYJJDIKRU-RHSMWYFYSA-N 0 3 319.401 2.404 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)N(CC)CC)[C@@H]1C ZINC001178794780 794995592 /nfs/dbraw/zinc/99/55/92/794995592.db2.gz BUQSPEDUVGMENQ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN COc1cc(CNCCC(=O)N2CCC[C@@H](C)C2)ccc1C#N ZINC001116908447 794998813 /nfs/dbraw/zinc/99/88/13/794998813.db2.gz FSMWAWGBAMRIFV-CQSZACIVSA-N 0 3 315.417 2.305 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179336159 795100877 /nfs/dbraw/zinc/10/08/77/795100877.db2.gz ZMMIKVPPHQXUIO-CQSZACIVSA-N 0 3 321.469 2.482 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001179364323 795106330 /nfs/dbraw/zinc/10/63/30/795106330.db2.gz IKGSUJAMBVAVKR-YCPHGPKFSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCC(=O)NCCCC)[C@@H]1C ZINC001179384210 795110844 /nfs/dbraw/zinc/11/08/44/795110844.db2.gz GTMFTGLXTUQXMM-XHSDSOJGSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)N[C@@H](C)C(C)C)[C@@H]1C ZINC001179454865 795117617 /nfs/dbraw/zinc/11/76/17/795117617.db2.gz KWVJAGTZRMNMTM-JYJNAYRXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)N[C@@H](C)CCC)[C@@H]1C ZINC001179463943 795119602 /nfs/dbraw/zinc/11/96/02/795119602.db2.gz SPGZRDJDRIEBEB-JYJNAYRXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(F)c(OC)c1 ZINC001180427956 795294829 /nfs/dbraw/zinc/29/48/29/795294829.db2.gz NEYJXCFRJVXKTG-AWEZNQCLSA-N 0 3 306.381 2.143 20 30 DEEDHN O=C(NCC#Cc1ccccc1)NC[C@@H]1Cc2ccccc2CN1 ZINC001119467272 795306111 /nfs/dbraw/zinc/30/61/11/795306111.db2.gz PSJQXIJCNCWSQL-IBGZPJMESA-N 0 3 319.408 2.052 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2cnccc2C)C1 ZINC001181475410 795483680 /nfs/dbraw/zinc/48/36/80/795483680.db2.gz CICNLYRQHYPPQJ-NVXWUHKLSA-N 0 3 317.433 2.062 20 30 DEEDHN C=C(C)CCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC001120585018 795491569 /nfs/dbraw/zinc/49/15/69/795491569.db2.gz DCEAUPOJQNQTSV-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001181599995 795501830 /nfs/dbraw/zinc/50/18/30/795501830.db2.gz UWHYOMCAYSYSHM-GXTWGEPZSA-N 0 3 324.371 2.419 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@H](C)OC)C2 ZINC001120793485 795532770 /nfs/dbraw/zinc/53/27/70/795532770.db2.gz GOVMOEKPVJUGML-PXWWDBQQSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cc(C)ns2)C1 ZINC001181898107 795558414 /nfs/dbraw/zinc/55/84/14/795558414.db2.gz JVNCKEWTGKYFPH-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C[C@H]1CN(c2ncc(C#N)cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001120960773 795567345 /nfs/dbraw/zinc/56/73/45/795567345.db2.gz XWDPOTUBCCRKJS-LBPRGKRZSA-N 0 3 315.377 2.315 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121001250 795575092 /nfs/dbraw/zinc/57/50/92/795575092.db2.gz AZRGFBJNLWEIOQ-DBINIWSISA-N 0 3 312.841 2.083 20 30 DEEDHN CCn1c(CCCC#N)nnc1N1CCN(C(C)(C)C)CC1 ZINC001121843890 795693727 /nfs/dbraw/zinc/69/37/27/795693727.db2.gz GBMHIMJWEBJKDW-UHFFFAOYSA-N 0 3 304.442 2.065 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)ccc1OCCOC ZINC001121859432 795696455 /nfs/dbraw/zinc/69/64/55/795696455.db2.gz QEALUYWZEQWMMT-CYBMUJFWSA-N 0 3 310.369 2.473 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C(=O)OC)c1ccc(C)cc1 ZINC001121949716 795708784 /nfs/dbraw/zinc/70/87/84/795708784.db2.gz BGHBEMMFDMIJEX-HOTGVXAUSA-N 0 3 318.417 2.051 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC001121969935 795711020 /nfs/dbraw/zinc/71/10/20/795711020.db2.gz ZZEYZNVGSJISDZ-LSDHHAIUSA-N 0 3 311.470 2.178 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCCSC[C@@H]1c1cnn(C)c1 ZINC001122378181 795752020 /nfs/dbraw/zinc/75/20/20/795752020.db2.gz UJTLISABBHFYNI-LSDHHAIUSA-N 0 3 322.478 2.110 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCC(=O)OC1CCCCC1 ZINC001182906044 795778497 /nfs/dbraw/zinc/77/84/97/795778497.db2.gz CBNZVCSHVQVARO-HNNXBMFYSA-N 0 3 322.449 2.409 20 30 DEEDHN CC(C)[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)CCO1 ZINC001122607091 795784521 /nfs/dbraw/zinc/78/45/21/795784521.db2.gz VELAZTKBLHVXJR-RDBSUJKOSA-N 0 3 315.373 2.180 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C1(c2ccc(O)cc2)CC1 ZINC001183343439 795860260 /nfs/dbraw/zinc/86/02/60/795860260.db2.gz IXPVPRKURRGUGS-HNNXBMFYSA-N 0 3 300.402 2.190 20 30 DEEDHN Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCN2CCC1CC2 ZINC001183887421 795949733 /nfs/dbraw/zinc/94/97/33/795949733.db2.gz SYHNGPSBPRDGFJ-UHFFFAOYSA-N 0 3 322.412 2.197 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2ocnc2C)[C@H](C)C1 ZINC001184312901 796032935 /nfs/dbraw/zinc/03/29/35/796032935.db2.gz VYOWWGZRLJUXLD-ZBFHGGJFSA-N 0 3 317.433 2.361 20 30 DEEDHN OC[C@H]1CN(Cc2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1O ZINC001138335003 796199393 /nfs/dbraw/zinc/19/93/93/796199393.db2.gz BUPPRHFZIILVFW-RTWAWAEBSA-N 0 3 321.420 2.262 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H]2CC(=O)OC)cc1OC ZINC001138348599 796203426 /nfs/dbraw/zinc/20/34/26/796203426.db2.gz LMJCCGXMCKDVBA-HNNXBMFYSA-N 0 3 317.385 2.235 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@H](CC(=O)OC)C2)cc1 ZINC001138560447 796234879 /nfs/dbraw/zinc/23/48/79/796234879.db2.gz VETIKNYEMIGEPU-INIZCTEOSA-N 0 3 301.386 2.474 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c1[O-] ZINC001138631485 796246925 /nfs/dbraw/zinc/24/69/25/796246925.db2.gz UGRCAFNSKHTPHL-MRXNPFEDSA-N 0 3 300.402 2.317 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c1[O-] ZINC001138631485 796246929 /nfs/dbraw/zinc/24/69/29/796246929.db2.gz UGRCAFNSKHTPHL-MRXNPFEDSA-N 0 3 300.402 2.317 20 30 DEEDHN Cc1nocc1CN[C@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202868998 796291168 /nfs/dbraw/zinc/29/11/68/796291168.db2.gz YRCMVULONLUQNG-HOTGVXAUSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCCCCCNCc1cn([C@H]2CCCN(C(C)=O)C2)nn1 ZINC001185831300 796320526 /nfs/dbraw/zinc/32/05/26/796320526.db2.gz AOWRPFUMNCNKSP-KRWDZBQOSA-N 0 3 319.453 2.298 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1c(C)n[nH]c1C)CC2 ZINC001139095743 796321328 /nfs/dbraw/zinc/32/13/28/796321328.db2.gz AXUBSETWSDXREJ-UHFFFAOYSA-N 0 3 302.422 2.170 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001185896515 796330573 /nfs/dbraw/zinc/33/05/73/796330573.db2.gz RCINMMLSMBDHHF-OAHLLOKOSA-N 0 3 313.376 2.063 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cnc(N)s1)C2 ZINC001139225871 796344618 /nfs/dbraw/zinc/34/46/18/796344618.db2.gz LYGCGRXNQGEERF-GOEBONIOSA-N 0 3 323.462 2.299 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001186110664 796362652 /nfs/dbraw/zinc/36/26/52/796362652.db2.gz KNPPFYLDKQCUJZ-CYBMUJFWSA-N 0 3 306.793 2.176 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC001186201032 796371689 /nfs/dbraw/zinc/37/16/89/796371689.db2.gz VVOSOEMNHRQCCQ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(OC)cc2Cl)C1 ZINC001186405724 796399981 /nfs/dbraw/zinc/39/99/81/796399981.db2.gz ZQGWOFBMNHKAES-GFCCVEGCSA-N 0 3 306.793 2.176 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)C1 ZINC001186458508 796408812 /nfs/dbraw/zinc/40/88/12/796408812.db2.gz OGDXHUVDOHATBW-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN Cc1ccc(CN2CCC3(CC(N(C)C)=NO3)CC2)cc1C#N ZINC001139725523 796416888 /nfs/dbraw/zinc/41/68/88/796416888.db2.gz SFVNQRVHXRSEIN-UHFFFAOYSA-N 0 3 312.417 2.497 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001186601035 796426651 /nfs/dbraw/zinc/42/66/51/796426651.db2.gz KAWRYUJHYMERAX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001186601034 796426710 /nfs/dbraw/zinc/42/67/10/796426710.db2.gz KAWRYUJHYMERAX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(F)ccc(OC)c1OC ZINC001139869265 796438430 /nfs/dbraw/zinc/43/84/30/796438430.db2.gz CTYFFRSLFGSOGF-UHFFFAOYSA-N 0 3 324.396 2.423 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001186993495 796474753 /nfs/dbraw/zinc/47/47/53/796474753.db2.gz DRLDRCYBDJYWGU-RWMBFGLXSA-N 0 3 306.435 2.039 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC=C(C)C)C[C@H]21 ZINC001187102170 796488794 /nfs/dbraw/zinc/48/87/94/796488794.db2.gz VJGKOHDTUIXVPW-YESZJQIVSA-N 0 3 306.450 2.467 20 30 DEEDHN N#Cc1ccc(CN2CC3(C2)CCN(Cc2cccnc2)C3)cn1 ZINC001140541794 796537001 /nfs/dbraw/zinc/53/70/01/796537001.db2.gz TWHJYPIJXBJJFY-UHFFFAOYSA-N 0 3 319.412 2.056 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2ccc(C#N)nc2)C[C@H]1c1ccccc1 ZINC001140547023 796538728 /nfs/dbraw/zinc/53/87/28/796538728.db2.gz FGSGTRYSKUXRSG-ROUUACIJSA-N 0 3 321.380 2.342 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)CCC(F)(F)F)[C@@H]2C1 ZINC001187466297 796539374 /nfs/dbraw/zinc/53/93/74/796539374.db2.gz XJJBYFZQSRVOTP-QWHCGFSZSA-N 0 3 320.355 2.064 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)COC[C@H](C)c2ccccc2)C1 ZINC001187500410 796543294 /nfs/dbraw/zinc/54/32/94/796543294.db2.gz CMDPDIKEBPTENH-FUHWJXTLSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1c(C)nn(C)c1C)CC2 ZINC001203051412 796543817 /nfs/dbraw/zinc/54/38/17/796543817.db2.gz OFDJCFPKVTWJNR-UHFFFAOYSA-N 0 3 316.449 2.180 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(CO)o1)C2 ZINC001140680227 796555068 /nfs/dbraw/zinc/55/50/68/796555068.db2.gz TWWWGPCWUMYURN-ZWKOTPCHSA-N 0 3 321.417 2.346 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001187788351 796585299 /nfs/dbraw/zinc/58/52/99/796585299.db2.gz UKSTZVROFYOERD-GOEBONIOSA-N 0 3 320.458 2.405 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3(C(F)(F)F)CC3)[C@@H]2C1 ZINC001188198209 796639521 /nfs/dbraw/zinc/63/95/21/796639521.db2.gz RFNNGHCGNUZYAW-NWDGAFQWSA-N 0 3 302.340 2.438 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001188317880 796656845 /nfs/dbraw/zinc/65/68/45/796656845.db2.gz VOMPJHQJYXRGOS-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2cccs2)C1 ZINC001188635183 796700966 /nfs/dbraw/zinc/70/09/66/796700966.db2.gz VUNMGFHURDRWRI-CQSZACIVSA-N 0 3 308.447 2.026 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc4nccn4c3)C2)C1=O ZINC001143020806 796795115 /nfs/dbraw/zinc/79/51/15/796795115.db2.gz BWVPILAWZOZCHE-IBGZPJMESA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCOCCCC(=O)NC[C@H]1CN(CC=C(C)C)CCCO1 ZINC001149480630 796857370 /nfs/dbraw/zinc/85/73/70/796857370.db2.gz ANUKZLFVURKKJL-KRWDZBQOSA-N 0 3 324.465 2.143 20 30 DEEDHN CCOc1ccccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001149604309 796875496 /nfs/dbraw/zinc/87/54/96/796875496.db2.gz LVCCVBFSCUZMTI-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1coc2cc(O)ccc12 ZINC001149608288 796875804 /nfs/dbraw/zinc/87/58/04/796875804.db2.gz OJKZAGSOTIGULL-AWEZNQCLSA-N 0 3 314.385 2.448 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001149854769 796900822 /nfs/dbraw/zinc/90/08/22/796900822.db2.gz PUUOKOGDANHQLY-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001189925792 796903844 /nfs/dbraw/zinc/90/38/44/796903844.db2.gz FHWAIIFSFJUJME-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001150570944 796955106 /nfs/dbraw/zinc/95/51/06/796955106.db2.gz FKHHZQZZBSPCER-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001151174728 797018625 /nfs/dbraw/zinc/01/86/25/797018625.db2.gz IRHISQHKQHYBKP-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001190526914 797019637 /nfs/dbraw/zinc/01/96/37/797019637.db2.gz DSFWFISKTPUQEH-UONOGXRCSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cnoc2CC)CC1 ZINC001151340801 797035675 /nfs/dbraw/zinc/03/56/75/797035675.db2.gz WBVOMIJAAQREII-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H]2CC23CC3)CC1 ZINC001151345330 797035987 /nfs/dbraw/zinc/03/59/87/797035987.db2.gz AWBYONOMUIPIDU-OAHLLOKOSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC001190666308 797043918 /nfs/dbraw/zinc/04/39/18/797043918.db2.gz MPOYENHWZMANLK-MRXNPFEDSA-N 0 3 322.474 2.416 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001190870925 797099272 /nfs/dbraw/zinc/09/92/72/797099272.db2.gz XFAJJVDZVYXJGA-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(CC)o2)C1 ZINC001190958156 797114431 /nfs/dbraw/zinc/11/44/31/797114431.db2.gz WTKWHOGUBGCHJD-CQSZACIVSA-N 0 3 306.406 2.191 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC#Cc2ccccc2)s1 ZINC001151952737 797123031 /nfs/dbraw/zinc/12/30/31/797123031.db2.gz FEDIFMUOGZIQBR-UHFFFAOYSA-N 0 3 323.421 2.267 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001191054377 797129419 /nfs/dbraw/zinc/12/94/19/797129419.db2.gz STBIGIJFRNEWNI-NVXWUHKLSA-N 0 3 320.433 2.138 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCSCC)C1 ZINC001191338945 797176528 /nfs/dbraw/zinc/17/65/28/797176528.db2.gz LFAIUWRYTAOFML-HUUCEWRRSA-N 0 3 314.495 2.037 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C)nc1C ZINC001152370898 797178898 /nfs/dbraw/zinc/17/88/98/797178898.db2.gz SGZBBZYLOSFBME-OAHLLOKOSA-N 0 3 319.449 2.228 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450166 797189525 /nfs/dbraw/zinc/18/95/25/797189525.db2.gz SCUCVZSKUDXNBC-QWHCGFSZSA-N 0 3 316.380 2.184 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001191499735 797220377 /nfs/dbraw/zinc/22/03/77/797220377.db2.gz GHMJJKVPQHDYPA-OLZOCXBDSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCNC/C=C/Cl)cc1 ZINC001152769960 797233026 /nfs/dbraw/zinc/23/30/26/797233026.db2.gz LWIMYGJNQSJOFK-FPYGCLRLSA-N 0 3 308.809 2.252 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC001191910887 797277020 /nfs/dbraw/zinc/27/70/20/797277020.db2.gz ADOLECUAXAPQPO-OAHLLOKOSA-N 0 3 319.449 2.487 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)C[C@@H]2CCCCO2)C1 ZINC001191867805 797278146 /nfs/dbraw/zinc/27/81/46/797278146.db2.gz IWXOWHLFPRAQPR-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCCOCC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001153086406 797282753 /nfs/dbraw/zinc/28/27/53/797282753.db2.gz XHRZHDQFMOBNAD-MRXNPFEDSA-N 0 3 324.371 2.251 20 30 DEEDHN CO[C@H]1CCCC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001153107529 797285825 /nfs/dbraw/zinc/28/58/25/797285825.db2.gz PKNUQFOTYLYMQK-GJZGRUSLSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001153149303 797291544 /nfs/dbraw/zinc/29/15/44/797291544.db2.gz VDYYMSCAAIXGIC-CQSZACIVSA-N 0 3 318.417 2.025 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001153149509 797292158 /nfs/dbraw/zinc/29/21/58/797292158.db2.gz XOYBOKKKFOZBPX-NWDGAFQWSA-N 0 3 312.360 2.323 20 30 DEEDHN CCc1ncc(C(=O)NCCNCc2ccc(C#N)s2)s1 ZINC001153210094 797301544 /nfs/dbraw/zinc/30/15/44/797301544.db2.gz JERVGMWJIQCFKX-UHFFFAOYSA-N 0 3 320.443 2.158 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@H](N(C)CCOCC=C)C2)CC1 ZINC001192205000 797336762 /nfs/dbraw/zinc/33/67/62/797336762.db2.gz BCQGRXALECDQQT-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001153566621 797355063 /nfs/dbraw/zinc/35/50/63/797355063.db2.gz IBDPGBBHFPLAFG-AEFFLSMTSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccc(OC)nc2)CCCC1 ZINC001153814134 797402124 /nfs/dbraw/zinc/40/21/24/797402124.db2.gz RNYZLUHORCJINO-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153850903 797411069 /nfs/dbraw/zinc/41/10/69/797411069.db2.gz NRGQUOHCQFAOCB-CYBMUJFWSA-N 0 3 301.862 2.050 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001192591106 797417815 /nfs/dbraw/zinc/41/78/15/797417815.db2.gz OYKGXBBUNWDJFF-HZPDHXFCSA-N 0 3 320.433 2.418 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001153922624 797424678 /nfs/dbraw/zinc/42/46/78/797424678.db2.gz IPGDACZYQYXDJT-OAHLLOKOSA-N 0 3 314.429 2.014 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C(C)C)no2)C1 ZINC001192672729 797429396 /nfs/dbraw/zinc/42/93/96/797429396.db2.gz XASRSEZPUAZDFL-AWEZNQCLSA-N 0 3 321.421 2.147 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001192802117 797450140 /nfs/dbraw/zinc/45/01/40/797450140.db2.gz UTCWVSWAAITUGS-HOTGVXAUSA-N 0 3 320.433 2.194 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001192809589 797452723 /nfs/dbraw/zinc/45/27/23/797452723.db2.gz VPINFQXWZQXCFO-HNNXBMFYSA-N 0 3 304.438 2.475 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(C)c(OC)c1 ZINC001154248002 797496325 /nfs/dbraw/zinc/49/63/25/797496325.db2.gz WZDFDFKFIQACHG-OAHLLOKOSA-N 0 3 302.418 2.006 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001154269827 797500443 /nfs/dbraw/zinc/50/04/43/797500443.db2.gz XNKRMCHNUDTPSZ-CQSZACIVSA-N 0 3 314.429 2.430 20 30 DEEDHN C[C@@H](C#N)S(=O)(=O)Nc1cccc(CN2CCCCC2)c1 ZINC001193146198 797513681 /nfs/dbraw/zinc/51/36/81/797513681.db2.gz ICGQPKJBRMFUAR-ZDUSSCGKSA-N 0 3 307.419 2.326 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001154381790 797526350 /nfs/dbraw/zinc/52/63/50/797526350.db2.gz VDONRDGCZAFKFU-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C(C)(C)C1CCC1 ZINC001154505806 797548106 /nfs/dbraw/zinc/54/81/06/797548106.db2.gz VEBFZGUPDOPFRP-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001154588853 797569092 /nfs/dbraw/zinc/56/90/92/797569092.db2.gz OZDMZFOOYXCBPM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC1(C)C ZINC001154693713 797591966 /nfs/dbraw/zinc/59/19/66/797591966.db2.gz TUPOQBMPLLCWQX-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN CSc1nc(-c2ccccc2)nc(-n2cnc(CN)c2)c1C#N ZINC001154910278 797638078 /nfs/dbraw/zinc/63/80/78/797638078.db2.gz ZOGCVDAOYQSLGE-UHFFFAOYSA-N 0 3 322.397 2.382 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cnc(C(=O)OCC)s1 ZINC001193921654 797651779 /nfs/dbraw/zinc/65/17/79/797651779.db2.gz ZTCMNUWLVAYNQA-UHFFFAOYSA-N 0 3 311.451 2.260 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2)C1 ZINC001194151183 797684109 /nfs/dbraw/zinc/68/41/09/797684109.db2.gz DXZKXJPMAKSWGX-QZTJIDSGSA-N 0 3 318.461 2.361 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001194555175 797744814 /nfs/dbraw/zinc/74/48/14/797744814.db2.gz JTCONBBKONHLRH-VIFPVBQESA-N 0 3 300.271 2.293 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(CC)nc1C(C)C ZINC001155515186 797777287 /nfs/dbraw/zinc/77/72/87/797777287.db2.gz WYBUWVQSHQGJIY-OAHLLOKOSA-N 0 3 318.465 2.490 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1csc(C2CC2)n1 ZINC001155662339 797821088 /nfs/dbraw/zinc/82/10/88/797821088.db2.gz SHZIFKWDHJJTIW-CYBMUJFWSA-N 0 3 319.474 2.413 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc(-c2ccoc2)s1 ZINC001155700109 797830617 /nfs/dbraw/zinc/83/06/17/797830617.db2.gz NSRHXHZTRVTIOW-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1O ZINC001195301008 797874660 /nfs/dbraw/zinc/87/46/60/797874660.db2.gz CILAHPWLOIOOBF-IAGOWNOFSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCCCCC(=O)N1CCCN(C[C@H]2CC[C@H](C)O2)CC1 ZINC001195555952 797918351 /nfs/dbraw/zinc/91/83/51/797918351.db2.gz OTEQISNIQPEESG-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ncccc1C(F)(F)F ZINC001156193836 797944905 /nfs/dbraw/zinc/94/49/05/797944905.db2.gz HTSDMKIUFVJMGK-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1csc(C(F)(F)F)n1 ZINC001156203537 797946617 /nfs/dbraw/zinc/94/66/17/797946617.db2.gz DNYXBWQDNHHTBI-SECBINFHSA-N 0 3 319.352 2.235 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001195924740 797983231 /nfs/dbraw/zinc/98/32/31/797983231.db2.gz YXFXFXXZENJPRL-JFIYKMOQSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@](C)(OC)c1ccccc1 ZINC001156434088 797999557 /nfs/dbraw/zinc/99/95/57/797999557.db2.gz IHBRJZSYCOIQTP-VQIMIIECSA-N 0 3 316.445 2.398 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001196326394 798039351 /nfs/dbraw/zinc/03/93/51/798039351.db2.gz LHQZZGFTQQNDMN-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001196334303 798039907 /nfs/dbraw/zinc/03/99/07/798039907.db2.gz XZUHLEJTHFTFOL-ZIAGYGMSSA-N 0 3 324.371 2.014 20 30 DEEDHN CC[C@@H](C)OCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156711167 798068054 /nfs/dbraw/zinc/06/80/54/798068054.db2.gz TYSHRAOBFJLKHL-CYBMUJFWSA-N 0 3 321.396 2.108 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccc(CC)cc1 ZINC001156712583 798068640 /nfs/dbraw/zinc/06/86/40/798068640.db2.gz YPXYXIGTWRHUEB-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN CCCOCCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001157087955 798141418 /nfs/dbraw/zinc/14/14/18/798141418.db2.gz KKCBTLXEBHIALL-LBPRGKRZSA-N 0 3 320.393 2.264 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1ccccc1OC ZINC001157320546 798182283 /nfs/dbraw/zinc/18/22/83/798182283.db2.gz VEPLTKXAYFCRRX-OAHLLOKOSA-N 0 3 316.445 2.433 20 30 DEEDHN CCC1(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)COC1 ZINC001157539871 798224177 /nfs/dbraw/zinc/22/41/77/798224177.db2.gz GZQPZJAJRXNMMS-NSHDSACASA-N 0 3 318.377 2.016 20 30 DEEDHN CCC1(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)COC1 ZINC001157539869 798224470 /nfs/dbraw/zinc/22/44/70/798224470.db2.gz GZQPZJAJRXNMMS-LLVKDONJSA-N 0 3 318.377 2.016 20 30 DEEDHN Cc1nc(C(C)C)oc1CNCCCNC(=O)C#CC(C)C ZINC001157632753 798246638 /nfs/dbraw/zinc/24/66/38/798246638.db2.gz JUHUDXFUFXGHFV-UHFFFAOYSA-N 0 3 305.422 2.362 20 30 DEEDHN C=C[C@H](CC(=O)N1CCCN(CCCO)CC1)c1ccccc1 ZINC001198213851 798294758 /nfs/dbraw/zinc/29/47/58/798294758.db2.gz JBYHTRHDHNNCOP-QGZVFWFLSA-N 0 3 316.445 2.263 20 30 DEEDHN C=CCCOCCCCC(=O)NCCCNCc1conc1C ZINC001157932053 798308306 /nfs/dbraw/zinc/30/83/06/798308306.db2.gz HLOLZQDMFDCYFF-UHFFFAOYSA-N 0 3 323.437 2.342 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C2CC2)nn1C ZINC001158018590 798327405 /nfs/dbraw/zinc/32/74/05/798327405.db2.gz DMXNKEYTEUFLKC-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1cc(OC)no1 ZINC001158011635 798327542 /nfs/dbraw/zinc/32/75/42/798327542.db2.gz IJIHUMMOIKEQGD-CQSZACIVSA-N 0 3 321.421 2.115 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ncc(F)cc1F ZINC001158128564 798348460 /nfs/dbraw/zinc/34/84/60/798348460.db2.gz DQTDDFMIMJIELZ-CYBMUJFWSA-N 0 3 309.360 2.472 20 30 DEEDHN C=CCCN[C@H](CNC(=O)COCCC)c1ccccc1OC ZINC001198584979 798370220 /nfs/dbraw/zinc/37/02/20/798370220.db2.gz OYPSXLGLKQBISJ-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cncc(C)c1 ZINC001158277564 798374097 /nfs/dbraw/zinc/37/40/97/798374097.db2.gz XLICVBBMHLEEQS-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001198950175 798424869 /nfs/dbraw/zinc/42/48/69/798424869.db2.gz LOGHKRILTZWWSK-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cn1cc(Cl)cn1 ZINC001158539724 798425237 /nfs/dbraw/zinc/42/52/37/798425237.db2.gz BCIDITUXIGPKMM-CQSZACIVSA-N 0 3 310.829 2.035 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1Cc2cccnc2C1 ZINC001158800670 798470776 /nfs/dbraw/zinc/47/07/76/798470776.db2.gz GUHFLRHBCZDOIU-DLBZAZTESA-N 0 3 313.445 2.295 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC(NCc2nccs2)CC1 ZINC001199660073 798515827 /nfs/dbraw/zinc/51/58/27/798515827.db2.gz ZJCBSPSZNHMNDC-ZDUSSCGKSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)Cc2cccs2)CC1 ZINC001159095459 798521208 /nfs/dbraw/zinc/52/12/08/798521208.db2.gz XYLRGYRANLZHRG-UHFFFAOYSA-N 0 3 302.443 2.452 20 30 DEEDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncccc1C#C[Si](C)(C)C ZINC001159300011 798547781 /nfs/dbraw/zinc/54/77/81/798547781.db2.gz KZGNUXXQDJGQJY-UHFFFAOYSA-N 0 3 314.465 2.011 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)OCC(C)C)CC1 ZINC001159463988 798566807 /nfs/dbraw/zinc/56/68/07/798566807.db2.gz KFKDIJBANMYALQ-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@@H](CNCc2ccccc2F)C1 ZINC001200075701 798580633 /nfs/dbraw/zinc/58/06/33/798580633.db2.gz YRJJPRMBSQZLAW-INIZCTEOSA-N 0 3 320.408 2.499 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC001159587703 798584556 /nfs/dbraw/zinc/58/45/56/798584556.db2.gz XDZRUPPQBSQGER-OAHLLOKOSA-N 0 3 322.412 2.356 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CCCC(C)(C)C)CCCO1 ZINC001200108610 798585528 /nfs/dbraw/zinc/58/55/28/798585528.db2.gz FPLATUVFMQXZOD-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001200156073 798588857 /nfs/dbraw/zinc/58/88/57/798588857.db2.gz PCGFVXVWDNABCL-UHFFFAOYSA-N 0 3 314.433 2.059 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001159715489 798598984 /nfs/dbraw/zinc/59/89/84/798598984.db2.gz HQXXQSXQCMNRCD-UHFFFAOYSA-N 0 3 317.220 2.403 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001159719087 798600497 /nfs/dbraw/zinc/60/04/97/798600497.db2.gz VMRJLMTWOFLLFK-UHFFFAOYSA-N 0 3 309.797 2.127 20 30 DEEDHN C#CCCCCC(=O)N1CCCO[C@H](CNC[C@H](F)CC)C1 ZINC001200320823 798614265 /nfs/dbraw/zinc/61/42/65/798614265.db2.gz BPIGPTOKKKVMAD-HZPDHXFCSA-N 0 3 312.429 2.135 20 30 DEEDHN CCc1cccc(C(=O)NCCCNCc2ccccc2C#N)n1 ZINC001160041639 798642357 /nfs/dbraw/zinc/64/23/57/798642357.db2.gz JQPYIBQCPUOQMK-UHFFFAOYSA-N 0 3 322.412 2.425 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@H](CNC/C=C/Cl)C1 ZINC001200620982 798656633 /nfs/dbraw/zinc/65/66/33/798656633.db2.gz GJDMLGWBOYSACL-UFZAZABTSA-N 0 3 300.830 2.302 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CCC[C@H](C)CCC)CCCO1 ZINC001200605383 798661605 /nfs/dbraw/zinc/66/16/05/798661605.db2.gz JOUUFCZGKUSUKA-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2c(Cl)cnn2CC)CC1 ZINC001160235506 798665460 /nfs/dbraw/zinc/66/54/60/798665460.db2.gz GCJIUEUPXHMBSU-UHFFFAOYSA-N 0 3 322.840 2.494 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC001160592827 798710258 /nfs/dbraw/zinc/71/02/58/798710258.db2.gz FHAPBJRWMMWANI-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001160657738 798716735 /nfs/dbraw/zinc/71/67/35/798716735.db2.gz LVEIDSSSAOTLNO-ZWKOTPCHSA-N 0 3 318.461 2.374 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccn3ccnc3c2)CC1 ZINC001160658081 798716738 /nfs/dbraw/zinc/71/67/38/798716738.db2.gz QFCXQAMFMFEKIM-UHFFFAOYSA-N 0 3 310.401 2.272 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccoc2C2CC2)CCCO1 ZINC001201252756 798726144 /nfs/dbraw/zinc/72/61/44/798726144.db2.gz PLIPYVFSYJVKJD-HNNXBMFYSA-N 0 3 316.401 2.001 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccccc2CC)CCCO1 ZINC001201260585 798731622 /nfs/dbraw/zinc/73/16/22/798731622.db2.gz IOHJOTGHTRXBPH-QGZVFWFLSA-N 0 3 314.429 2.093 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cn(C(C)C)cn2)CC1 ZINC001160810448 798744557 /nfs/dbraw/zinc/74/45/57/798744557.db2.gz SUKBVSVBDOEDDO-UHFFFAOYSA-N 0 3 302.422 2.402 20 30 DEEDHN C=Cc1ccc(C(=O)N2CCCO[C@@H](CNCC#CC)C2)cc1 ZINC001201484634 798759766 /nfs/dbraw/zinc/75/97/66/798759766.db2.gz WTCARZPUIMHBBO-SFHVURJKSA-N 0 3 312.413 2.174 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@H](C)c2ccco2)CCCO1 ZINC001201872279 798806522 /nfs/dbraw/zinc/80/65/22/798806522.db2.gz NGYFBIQBGCQDII-HOTGVXAUSA-N 0 3 318.417 2.004 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2c(C)cc(C)cc2C)CCCO1 ZINC001202006192 798816634 /nfs/dbraw/zinc/81/66/34/798816634.db2.gz OHLFNPFMHGZKGG-QGZVFWFLSA-N 0 3 314.429 2.066 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C2(C(F)(F)F)CC2)CC1 ZINC001161301573 798823435 /nfs/dbraw/zinc/82/34/35/798823435.db2.gz VDBLVKJBLVCRFM-UHFFFAOYSA-N 0 3 314.351 2.491 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202139770 798832192 /nfs/dbraw/zinc/83/21/92/798832192.db2.gz YWIQEDGODIWFFQ-HNNXBMFYSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CCCO1 ZINC001202174066 798836551 /nfs/dbraw/zinc/83/65/51/798836551.db2.gz PQOXFLSWVOJQEZ-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CC[C@@H](C)[C@@H](OC)C(=O)NCCCNCc1ccccc1C#N ZINC001161389723 798845078 /nfs/dbraw/zinc/84/50/78/798845078.db2.gz ZGCXDAKJMXXKTJ-RHSMWYFYSA-N 0 3 317.433 2.215 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cnoc2C2CC2)CC1 ZINC001161639994 798901253 /nfs/dbraw/zinc/90/12/53/798901253.db2.gz NLDKCORDVYJGOY-UHFFFAOYSA-N 0 3 313.401 2.327 20 30 DEEDHN CN1CCN(CCCNc2ncc(C#N)c3ccccc32)CC1 ZINC001161700850 798915768 /nfs/dbraw/zinc/91/57/68/798915768.db2.gz UCSWPJRPFFIJHC-UHFFFAOYSA-N 0 3 309.417 2.156 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)COc2ccsc2)CC1 ZINC001161709129 798918797 /nfs/dbraw/zinc/91/87/97/798918797.db2.gz OOQFDEJKVZABAH-UHFFFAOYSA-N 0 3 306.431 2.451 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)Oc2ccccn2)CC1 ZINC001161716431 798921581 /nfs/dbraw/zinc/92/15/81/798921581.db2.gz RXPROAVQHGPZSU-HNNXBMFYSA-N 0 3 315.417 2.173 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001161779855 798935060 /nfs/dbraw/zinc/93/50/60/798935060.db2.gz WMWHKDYSQIQUSI-QGZVFWFLSA-N 0 3 311.429 2.121 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCC[C@H](C)O)CCC1 ZINC001110652859 798946274 /nfs/dbraw/zinc/94/62/74/798946274.db2.gz YBRKZVAFMHBICS-HZMVEIRTSA-N 0 3 318.461 2.063 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001110705805 798978411 /nfs/dbraw/zinc/97/84/11/798978411.db2.gz JGLLKCJWVNXFMN-DZUCGIPZSA-N 0 3 306.450 2.347 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncc(C)c1)C2 ZINC001110794891 799028377 /nfs/dbraw/zinc/02/83/77/799028377.db2.gz YMQJBHZILNQWKL-KURKYZTESA-N 0 3 311.429 2.067 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(CC(C)C)CC2)(COC)CC1 ZINC001162295886 799053658 /nfs/dbraw/zinc/05/36/58/799053658.db2.gz KSBBZJXPYSPHCE-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)CC=C)(COC)CC1 ZINC001162513415 799107381 /nfs/dbraw/zinc/10/73/81/799107381.db2.gz MIZUOYLKZMKMHK-UHFFFAOYSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC[C@H](C)CC)(COC)CC1 ZINC001162545880 799114012 /nfs/dbraw/zinc/11/40/12/799114012.db2.gz NSIZTTUNMSOUPG-MRXNPFEDSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCOC)C12CCC2 ZINC001202541731 799171469 /nfs/dbraw/zinc/17/14/69/799171469.db2.gz CWIXMHKSGZZKQD-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137122807 799198510 /nfs/dbraw/zinc/19/85/10/799198510.db2.gz TUWAUNZXLRISGE-UHFFFAOYSA-N 0 3 317.433 2.133 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)C1(CF)CCC1 ZINC001162934981 799203352 /nfs/dbraw/zinc/20/33/52/799203352.db2.gz NPNWFKGYUOGHOC-UHFFFAOYSA-N 0 3 316.420 2.420 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cn3ccccc3n2)CC1 ZINC001006366079 799267289 /nfs/dbraw/zinc/26/72/89/799267289.db2.gz GYTHYCUFEYMQBP-UHFFFAOYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H](NCc2ocnc2C)C12CCC2 ZINC001202618850 799289275 /nfs/dbraw/zinc/28/92/75/799289275.db2.gz XRIKJUWZEJOPQV-LSDHHAIUSA-N 0 3 303.406 2.466 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccnc2ccncc21 ZINC001163317729 799310067 /nfs/dbraw/zinc/31/00/67/799310067.db2.gz FNZZLBHOVPBZMB-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(=O)C(C)(C)C)C12CCC2 ZINC001202686178 799359132 /nfs/dbraw/zinc/35/91/32/799359132.db2.gz RKOXWNWCEIHGDR-VXGBXAGGSA-N 0 3 312.841 2.371 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099946990 799366513 /nfs/dbraw/zinc/36/65/13/799366513.db2.gz OSNQUHJJMSXMTH-SJORKVTESA-N 0 3 316.445 2.340 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c(OC)c1 ZINC001154242246 799416727 /nfs/dbraw/zinc/41/67/27/799416727.db2.gz DUOPONDCJKJTPP-OAHLLOKOSA-N 0 3 302.418 2.467 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](OCC)C1CCCC1 ZINC001154492245 799524892 /nfs/dbraw/zinc/52/48/92/799524892.db2.gz IPFGPLKEUQJRMZ-NVXWUHKLSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1cc(OC)ns1 ZINC001164223975 799545145 /nfs/dbraw/zinc/54/51/45/799545145.db2.gz YWDSBUQKKKZGDA-NEPJUHHUSA-N 0 3 311.451 2.206 20 30 DEEDHN Cc1noc(C)c1CNCC1(CCNC(=O)C#CC(C)C)CC1 ZINC001164460783 799602067 /nfs/dbraw/zinc/60/20/67/799602067.db2.gz HFOHHTSJMZGWSR-UHFFFAOYSA-N 0 3 317.433 2.327 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1F)C2 ZINC001095452733 799605522 /nfs/dbraw/zinc/60/55/22/799605522.db2.gz NMFHSSIABIJCFO-KBMXLJTQSA-N 0 3 300.377 2.493 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001095688540 799695455 /nfs/dbraw/zinc/69/54/55/799695455.db2.gz FAERMNCZDGZRTM-PVAVHDDUSA-N 0 3 309.413 2.317 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCOCC)CC1 ZINC001110982228 799809269 /nfs/dbraw/zinc/80/92/69/799809269.db2.gz QWTRSJDIHBXOGB-ZACQAIPSSA-N 0 3 306.450 2.491 20 30 DEEDHN CC(F)(F)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001166037081 799816512 /nfs/dbraw/zinc/81/65/12/799816512.db2.gz XGCGNOJUINNIOC-UHFFFAOYSA-N 0 3 313.323 2.339 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCC[C@@H](C)O)C1 ZINC001111001973 799820950 /nfs/dbraw/zinc/82/09/50/799820950.db2.gz PREQRINWAWGLLO-FPCVCCKLSA-N 0 3 306.450 2.225 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001166278617 799854328 /nfs/dbraw/zinc/85/43/28/799854328.db2.gz QVHJQKFITOANKH-WCQYABFASA-N 0 3 300.830 2.040 20 30 DEEDHN N#CC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)C(F)(F)F ZINC000932926929 799974562 /nfs/dbraw/zinc/97/45/62/799974562.db2.gz PXPMEVXMPMUMLG-GFCCVEGCSA-N 0 3 318.343 2.101 20 30 DEEDHN N#CC1(CCCN2CCOC[C@H]2C[C@H]2CCOC2)CCOCC1 ZINC000933662840 800153466 /nfs/dbraw/zinc/15/34/66/800153466.db2.gz FKILFCPGBQTEMU-IAGOWNOFSA-N 0 3 322.449 2.214 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274552 800198151 /nfs/dbraw/zinc/19/81/51/800198151.db2.gz DWWKILUMPAYIQG-FUHWJXTLSA-N 0 3 319.401 2.424 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204274552 800198154 /nfs/dbraw/zinc/19/81/54/800198154.db2.gz DWWKILUMPAYIQG-FUHWJXTLSA-N 0 3 319.401 2.424 20 30 DEEDHN C=CCOc1ccc(CN2CCC3(CCC(=O)N3)CC2)cc1 ZINC001204302275 800203064 /nfs/dbraw/zinc/20/30/64/800203064.db2.gz FZDNHTUROFIVOL-UHFFFAOYSA-N 0 3 300.402 2.496 20 30 DEEDHN C=CCOCC[NH2+]CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001204528469 800225849 /nfs/dbraw/zinc/22/58/49/800225849.db2.gz YAFGFVXAAJYRDG-UHFFFAOYSA-N 0 3 318.417 2.037 20 30 DEEDHN COC(=O)C[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000934029905 800243610 /nfs/dbraw/zinc/24/36/10/800243610.db2.gz BQJHWTGYPGFUGP-CQSZACIVSA-N 0 3 317.389 2.064 20 30 DEEDHN CCCCC1(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000934201538 800289140 /nfs/dbraw/zinc/28/91/40/800289140.db2.gz AWYKXMCRWHUAMN-UHFFFAOYSA-N 0 3 307.419 2.039 20 30 DEEDHN C=CCCC(=O)N(Cc1ccccc1)[C@@H]1CN(C(C)C)C[C@H]1O ZINC001205110158 800297386 /nfs/dbraw/zinc/29/73/86/800297386.db2.gz QGNZYGVMZQNMMH-QZTJIDSGSA-N 0 3 316.445 2.435 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@H]1CCOC12CCCC2 ZINC000934391291 800341282 /nfs/dbraw/zinc/34/12/82/800341282.db2.gz LAHYFZYNWLLAOX-LBPRGKRZSA-N 0 3 305.403 2.250 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001206640144 800569205 /nfs/dbraw/zinc/56/92/05/800569205.db2.gz DZLWLINTNPDRMA-WOSRLPQWSA-N 0 3 303.381 2.252 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC001206934725 800633349 /nfs/dbraw/zinc/63/33/49/800633349.db2.gz AUSDREZQLUBDSP-IUODEOHRSA-N 0 3 308.447 2.309 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCCCCCC)C1 ZINC001206968114 800642992 /nfs/dbraw/zinc/64/29/92/800642992.db2.gz PPJXRNBHNUZQGK-IXDOHACOSA-N 0 3 308.466 2.432 20 30 DEEDHN CCOC(=O)CCC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC001207106585 800684125 /nfs/dbraw/zinc/68/41/25/800684125.db2.gz OATBWFSCWNKZMT-UHFFFAOYSA-N 0 3 303.406 2.452 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2cnn(CC)c2)C[C@H]1C ZINC001207215364 800712006 /nfs/dbraw/zinc/71/20/06/800712006.db2.gz GJQRRBOIPYWRCN-NVXWUHKLSA-N 0 3 318.465 2.238 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001207586874 800786203 /nfs/dbraw/zinc/78/62/03/800786203.db2.gz APBKKWOSGGDDCX-SJLPKXTDSA-N 0 3 310.441 2.469 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001207659182 800800073 /nfs/dbraw/zinc/80/00/73/800800073.db2.gz MGFBAYXOUIPGFO-BRWVUGGUSA-N 0 3 318.465 2.483 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCOCC1)C2 ZINC001111198217 800870075 /nfs/dbraw/zinc/87/00/75/800870075.db2.gz OWOHRXKAHZJJIH-OAGGEKHMSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001208240741 800937049 /nfs/dbraw/zinc/93/70/49/800937049.db2.gz QACWYJGGDIOBRL-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001208312809 800950977 /nfs/dbraw/zinc/95/09/77/800950977.db2.gz RUJIYFITTYEGQJ-DJIMGWMZSA-N 0 3 316.445 2.369 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001208961890 801103217 /nfs/dbraw/zinc/10/32/17/801103217.db2.gz LHCWDTZSINXVLY-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001208961748 801103323 /nfs/dbraw/zinc/10/33/23/801103323.db2.gz JUXZJVZFHBDINW-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001209374021 801178533 /nfs/dbraw/zinc/17/85/33/801178533.db2.gz JBQMIQVDECLISE-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCCCN1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001209422452 801190349 /nfs/dbraw/zinc/19/03/49/801190349.db2.gz BFMUMIVFYQVGOK-CVEARBPZSA-N 0 3 302.422 2.112 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)CCC1 ZINC001209502804 801202093 /nfs/dbraw/zinc/20/20/93/801202093.db2.gz AKQUXXYLJDKCDP-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001209876391 801301007 /nfs/dbraw/zinc/30/10/07/801301007.db2.gz ZZMMVXUCARPYGG-MRXNPFEDSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@](C)(OC)c2ccccc2)C1 ZINC001210401430 801392673 /nfs/dbraw/zinc/39/26/73/801392673.db2.gz SZXDAKCRVMPTQG-SUMDDJOVSA-N 0 3 314.429 2.008 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)cn1 ZINC001210728436 801453770 /nfs/dbraw/zinc/45/37/70/801453770.db2.gz NWKUSGAWLNGTEG-GOEBONIOSA-N 0 3 303.381 2.005 20 30 DEEDHN C[C@H]1CC(=O)C=C(Nc2cnccc2N2CCN(C)CC2)C1 ZINC001210772066 801461730 /nfs/dbraw/zinc/46/17/30/801461730.db2.gz WPAARINETLPLOA-CYBMUJFWSA-N 0 3 300.406 2.128 20 30 DEEDHN C=CCCC(=O)NCCCN(CCCOC)Cc1cccnc1 ZINC001230709936 801470564 /nfs/dbraw/zinc/47/05/64/801470564.db2.gz MJQINKUHGKXVOK-UHFFFAOYSA-N 0 3 319.449 2.393 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2cccc(F)c2)C1 ZINC001210988648 801497133 /nfs/dbraw/zinc/49/71/33/801497133.db2.gz KWYBMOQJDOIAAF-CZUORRHYSA-N 0 3 306.381 2.217 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001211354490 801552293 /nfs/dbraw/zinc/55/22/93/801552293.db2.gz AQFXKMRIYFDXQZ-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@H](OC)C1 ZINC001213416654 801606640 /nfs/dbraw/zinc/60/66/40/801606640.db2.gz GIKARQYZGKRINL-VXGBXAGGSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccccc2C)[C@H](OC)C1 ZINC001213491654 801615488 /nfs/dbraw/zinc/61/54/88/801615488.db2.gz UFHQQAWJOSSLOF-QZTJIDSGSA-N 0 3 316.445 2.319 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](OC)C1 ZINC001213550982 801622093 /nfs/dbraw/zinc/62/20/93/801622093.db2.gz IFOBHORKLHAEDI-HUUCEWRRSA-N 0 3 322.453 2.118 20 30 DEEDHN C#Cc1cccc(CN2CCC(NC(=O)c3ccncc3)CC2)c1 ZINC001231663039 801706374 /nfs/dbraw/zinc/70/63/74/801706374.db2.gz HQJPVGUPOBPEJF-UHFFFAOYSA-N 0 3 319.408 2.457 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001214528845 801725036 /nfs/dbraw/zinc/72/50/36/801725036.db2.gz DCCKOPFTNJCQFS-MLGOLLRUSA-N 0 3 319.474 2.500 20 30 DEEDHN O=C1C=C2CN(Cc3cccc4c3OCCO4)CCC2S1 ZINC001231883468 801744410 /nfs/dbraw/zinc/74/44/10/801744410.db2.gz MKCVUEWZXAGQNR-CQSZACIVSA-N 0 3 303.383 2.232 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001232018347 801770562 /nfs/dbraw/zinc/77/05/62/801770562.db2.gz IWNCTXIEXUFMFV-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cc3cnccc3[nH]2)C1 ZINC001232018347 801770568 /nfs/dbraw/zinc/77/05/68/801770568.db2.gz IWNCTXIEXUFMFV-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(N)nc1C)C2 ZINC001232345146 801854102 /nfs/dbraw/zinc/85/41/02/801854102.db2.gz ZXMMYUMBBCEQJQ-AEFFLSMTSA-N 0 3 317.433 2.298 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cc(F)ccn2)CC1 ZINC001232497141 801903056 /nfs/dbraw/zinc/90/30/56/801903056.db2.gz AZYRYUPVRBARQT-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN CC1=NC2(CCN(Cc3ccc(C#N)cc3C)CC2)C(=O)N1C ZINC001233083475 802022847 /nfs/dbraw/zinc/02/28/47/802022847.db2.gz MJBRYLSFXLOPEV-UHFFFAOYSA-N 0 3 310.401 2.092 20 30 DEEDHN CN(C)c1ccc(CN2CCC[C@H]2C(C)(C)O)c(F)c1C#N ZINC001233101713 802027012 /nfs/dbraw/zinc/02/70/12/802027012.db2.gz FLVJRELUIVVUNT-HNNXBMFYSA-N 0 3 305.397 2.499 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCC(F)(F)F)[C@H]2C1 ZINC001217614115 802091831 /nfs/dbraw/zinc/09/18/31/802091831.db2.gz UXDHSONNRGSJDA-QWHCGFSZSA-N 0 3 320.355 2.207 20 30 DEEDHN CC(C)(C)CCCN1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001217835528 802115113 /nfs/dbraw/zinc/11/51/13/802115113.db2.gz WEZZQJZGKAXHCD-DLBZAZTESA-N 0 3 318.461 2.138 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001233655574 802176196 /nfs/dbraw/zinc/17/61/96/802176196.db2.gz ZSCCSAUHLHRZOC-HZPDHXFCSA-N 0 3 324.465 2.443 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001233655181 802176719 /nfs/dbraw/zinc/17/67/19/802176719.db2.gz WMGSORQJOSBWKQ-JKSUJKDBSA-N 0 3 322.449 2.219 20 30 DEEDHN CN(C[C@H]1CCN1CCCCCF)C(=O)c1ccc(C#N)[nH]1 ZINC001233694113 802184311 /nfs/dbraw/zinc/18/43/11/802184311.db2.gz MUNBLAWFOUBMMX-CQSZACIVSA-N 0 3 306.385 2.172 20 30 DEEDHN CN(C[C@@H]1CCN1CCCCCF)C(=O)c1ccc(C#N)[nH]1 ZINC001233694111 802184436 /nfs/dbraw/zinc/18/44/36/802184436.db2.gz MUNBLAWFOUBMMX-AWEZNQCLSA-N 0 3 306.385 2.172 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001218454855 802185572 /nfs/dbraw/zinc/18/55/72/802185572.db2.gz JHYQSPOKJFTUDX-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](CCC)OCC)[C@H]2C1 ZINC001218496998 802192084 /nfs/dbraw/zinc/19/20/84/802192084.db2.gz DEDTZIPFABBSKH-GVDBMIGSSA-N 0 3 324.465 2.069 20 30 DEEDHN C[C@@H](C#N)c1ccc(NC(=O)[C@@H](N)C2CCC(O)CC2)cc1 ZINC001218871226 802252217 /nfs/dbraw/zinc/25/22/17/802252217.db2.gz JEILSSJXUMLYET-WIRQWFGLSA-N 0 3 301.390 2.131 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cncnc1 ZINC001234020612 802268997 /nfs/dbraw/zinc/26/89/97/802268997.db2.gz JNOKKXGNOIBPES-KRWDZBQOSA-N 0 3 316.449 2.298 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@@H](O)C1 ZINC001219173911 802293581 /nfs/dbraw/zinc/29/35/81/802293581.db2.gz ZNBVMPBVLLBLQL-BBWFWOEESA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1nnc(C)o1 ZINC001234099114 802294551 /nfs/dbraw/zinc/29/45/51/802294551.db2.gz JDWRLBDPUNCMEC-HNNXBMFYSA-N 0 3 320.437 2.200 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1nn(C)cc1C ZINC001234152657 802312329 /nfs/dbraw/zinc/31/23/29/802312329.db2.gz XBXVYNGWIYDKGB-CABCVRRESA-N 0 3 304.438 2.230 20 30 DEEDHN CN(C[C@@H]1CCN1CCC[C@H]1CCOC1)C(=O)C#CC(C)(C)C ZINC001234215418 802327562 /nfs/dbraw/zinc/32/75/62/802327562.db2.gz LFIIXGRJCKPBTA-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN CO[C@H](CN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C)C1CCC1 ZINC001234216200 802327611 /nfs/dbraw/zinc/32/76/11/802327611.db2.gz VCNAIZYWUFCYGZ-DLBZAZTESA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCCC=C ZINC001234267021 802340062 /nfs/dbraw/zinc/34/00/62/802340062.db2.gz UWNZRIVIXQNPFO-IRXDYDNUSA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@@H](O)C1 ZINC001219626212 802356698 /nfs/dbraw/zinc/35/66/98/802356698.db2.gz FZCMCHLTPAURRQ-XHSDSOJGSA-N 0 3 306.450 2.084 20 30 DEEDHN CC(C)[N@@H+]1CCC[C@@H](Oc2[n-]c(=O)nc3ccc(C#N)cc32)C1 ZINC001234531186 802405010 /nfs/dbraw/zinc/40/50/10/802405010.db2.gz ULCVLEAWMMFZAL-CYBMUJFWSA-N 0 3 312.373 2.459 20 30 DEEDHN CC(C)[N@H+]1CCC[C@@H](Oc2[n-]c(=O)nc3ccc(C#N)cc32)C1 ZINC001234531186 802405018 /nfs/dbraw/zinc/40/50/18/802405018.db2.gz ULCVLEAWMMFZAL-CYBMUJFWSA-N 0 3 312.373 2.459 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001234563903 802417243 /nfs/dbraw/zinc/41/72/43/802417243.db2.gz ZRAUSNBPXFOJFP-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)[C@@H](O)C1 ZINC001220178208 802422731 /nfs/dbraw/zinc/42/27/31/802422731.db2.gz CIQSHCMCHBVKHK-XHSDSOJGSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(CF)CCC2)[C@@H](O)C1 ZINC001220394042 802455077 /nfs/dbraw/zinc/45/50/77/802455077.db2.gz BDPLYDAUDDVQDP-CABCVRRESA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](c2ccccc2)C(C)C)[C@@H](O)C1 ZINC001220432562 802460855 /nfs/dbraw/zinc/46/08/55/802460855.db2.gz PTTMKGXPLXAVGW-FGTMMUONSA-N 0 3 316.445 2.164 20 30 DEEDHN CN[C@H](C(=O)NCc1ccc(C#N)c(F)c1)[C@@H](C)OC(C)(C)C ZINC001220449492 802462356 /nfs/dbraw/zinc/46/23/56/802462356.db2.gz XBIGXMJHVVPQFD-ABAIWWIYSA-N 0 3 321.396 2.105 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](O)C1 ZINC001220915737 802512431 /nfs/dbraw/zinc/51/24/31/802512431.db2.gz NESABEMNRZYDPI-LYRGGWFBSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccccc2Cl)[C@@H](O)C1 ZINC001220928697 802512505 /nfs/dbraw/zinc/51/25/05/802512505.db2.gz AARRYVOBCRVGSD-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3csnn3)[C@@H]2C1 ZINC001221720256 802607406 /nfs/dbraw/zinc/60/74/06/802607406.db2.gz WKYSTPWQTXACTA-UKRRQHHQSA-N 0 3 320.462 2.431 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCC[C@H](C)O)C[C@H]32)CCC1 ZINC001221797700 802616678 /nfs/dbraw/zinc/61/66/78/802616678.db2.gz BPXMWQWQYUCHOZ-GVDBMIGSSA-N 0 3 320.477 2.427 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001222102953 802643551 /nfs/dbraw/zinc/64/35/51/802643551.db2.gz IIUDIRGKPSNZFW-HUUCEWRRSA-N 0 3 318.421 2.271 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001222636803 802719610 /nfs/dbraw/zinc/71/96/10/802719610.db2.gz QFSBMCSGSKUHBH-ZDUSSCGKSA-N 0 3 303.381 2.314 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001223143114 802769418 /nfs/dbraw/zinc/76/94/18/802769418.db2.gz QHTVNDQNOVHPPK-UHFFFAOYSA-N 0 3 313.445 2.459 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC001224657296 802890727 /nfs/dbraw/zinc/89/07/27/802890727.db2.gz YUIYRHVNJQZOSZ-UHFFFAOYSA-N 0 3 322.811 2.483 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001224815428 802906210 /nfs/dbraw/zinc/90/62/10/802906210.db2.gz MUGPASKFOGGYQL-HZPDHXFCSA-N 0 3 318.417 2.225 20 30 DEEDHN CC(C)(C)OC(=O)N1CCN2C[C@@H](OCC#CC3CC3)C[C@H]2C1 ZINC001224843848 802909623 /nfs/dbraw/zinc/90/96/23/802909623.db2.gz GSGAPEJBPGZZRV-HOTGVXAUSA-N 0 3 320.433 2.110 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2c[nH]c3cccc(C)c23)CC1 ZINC001225174661 802942024 /nfs/dbraw/zinc/94/20/24/802942024.db2.gz UOZCWJPRYOIGOB-UHFFFAOYSA-N 0 3 323.440 2.480 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)nnn1CC ZINC001225275636 802949443 /nfs/dbraw/zinc/94/94/43/802949443.db2.gz OGXGLUKYQQXIGB-HUUCEWRRSA-N 0 3 319.453 2.090 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC001225297763 802952414 /nfs/dbraw/zinc/95/24/14/802952414.db2.gz GTPFZKQTZQWLMG-SFHVURJKSA-N 0 3 312.413 2.109 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccccc2F)CC1 ZINC001225317990 802954794 /nfs/dbraw/zinc/95/47/94/802954794.db2.gz RFVDQZABZHKHBU-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN CCc1onc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C#N ZINC001225427758 802965252 /nfs/dbraw/zinc/96/52/52/802965252.db2.gz WGIXYXJUIXYJRE-NILFDRSVSA-N 0 3 318.421 2.222 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC001225590581 802987347 /nfs/dbraw/zinc/98/73/47/802987347.db2.gz AHIRVJOBQKVHPF-UHFFFAOYSA-N 0 3 310.441 2.488 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](OCC)c2ccccc2)CC1 ZINC001225638978 802995367 /nfs/dbraw/zinc/99/53/67/802995367.db2.gz LRKFYOIQHVIAOK-GOSISDBHSA-N 0 3 314.429 2.226 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001225752253 803009605 /nfs/dbraw/zinc/00/96/05/803009605.db2.gz DFWZXCJKOFZPQQ-IAGOWNOFSA-N 0 3 316.449 2.131 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC001225755444 803009984 /nfs/dbraw/zinc/00/99/84/803009984.db2.gz OWXORUZGOZLYGL-SFHVURJKSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001226588743 803128880 /nfs/dbraw/zinc/12/88/80/803128880.db2.gz AOKFPOKPRSJLIG-UHFFFAOYSA-N 0 3 302.418 2.278 20 30 DEEDHN Cc1ccc(OCCN2CCC(NC(=O)[C@@H](C)C#N)CC2)cc1 ZINC001226648605 803136416 /nfs/dbraw/zinc/13/64/16/803136416.db2.gz LIGLPRIYZZJHLV-HNNXBMFYSA-N 0 3 315.417 2.114 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2sccc2F)CC1 ZINC001227183589 803212509 /nfs/dbraw/zinc/21/25/09/803212509.db2.gz UYZLULUBEDOZMZ-UHFFFAOYSA-N 0 3 312.410 2.284 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C)cc(C)n2)CC1 ZINC001228105669 803320304 /nfs/dbraw/zinc/32/03/04/803320304.db2.gz JMUKWYRMUOWYHA-UHFFFAOYSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2oncc2C)C(C)(C)C1 ZINC001328099826 1148721251 /nfs/dbraw/zinc/72/12/51/1148721251.db2.gz ZJOQODASAGBHGP-CQSZACIVSA-N 0 3 321.421 2.016 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1COc2c(F)cc(F)cc2C1 ZINC001343231664 1150715747 /nfs/dbraw/zinc/71/57/47/1150715747.db2.gz AZDOIYPJVOIHGO-GXTWGEPZSA-N 0 3 310.344 2.068 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC001574962410 1069310299 /nfs/dbraw/zinc/31/02/99/1069310299.db2.gz KYRMZMSRVZJRAC-QGZVFWFLSA-N 0 3 314.429 2.061 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CO)NCc2ccccc2C)CCC1 ZINC001331788586 1149681443 /nfs/dbraw/zinc/68/14/43/1149681443.db2.gz WPOIREVCIJPXFD-QGZVFWFLSA-N 0 3 316.445 2.308 20 30 DEEDHN C=C[C@@H](C(=O)OC)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001345023582 1150859075 /nfs/dbraw/zinc/85/90/75/1150859075.db2.gz JQCNVPMUGVYFLU-KRWDZBQOSA-N 0 3 302.418 2.230 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001522634467 1069428264 /nfs/dbraw/zinc/42/82/64/1069428264.db2.gz IEOIVSQTDGOTAY-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](OC)C1CC1 ZINC001602858696 1069780026 /nfs/dbraw/zinc/78/00/26/1069780026.db2.gz XOUITPGMSSZDGF-MRXNPFEDSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](OC)C1CC1 ZINC001602858696 1069780041 /nfs/dbraw/zinc/78/00/41/1069780041.db2.gz XOUITPGMSSZDGF-MRXNPFEDSA-N 0 3 313.405 2.280 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001328683648 1148823920 /nfs/dbraw/zinc/82/39/20/1148823920.db2.gz OPBRTFOYRFOFOU-BHIYHBOVSA-N 0 3 314.429 2.261 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001499995564 1058420130 /nfs/dbraw/zinc/42/01/30/1058420130.db2.gz OZUTULFWECACTO-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001500276334 1058660326 /nfs/dbraw/zinc/66/03/26/1058660326.db2.gz ZDQSORNGJBFBIH-NVXWUHKLSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC001500451283 1058797131 /nfs/dbraw/zinc/79/71/31/1058797131.db2.gz FVCZAMIFHMUGLP-CEXWTWQISA-N 0 3 322.452 2.424 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001500481533 1058833431 /nfs/dbraw/zinc/83/34/31/1058833431.db2.gz FHRLNZIOOBKOHG-WMZOPIPTSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001500542621 1058908511 /nfs/dbraw/zinc/90/85/11/1058908511.db2.gz IGIBQNMSGMFYIY-GOSISDBHSA-N 0 3 314.433 2.142 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2csc(COC)n2)C1 ZINC001500553338 1058919942 /nfs/dbraw/zinc/91/99/42/1058919942.db2.gz WJRMFARLPKUTJZ-MRXNPFEDSA-N 0 3 323.462 2.307 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001501046901 1059229597 /nfs/dbraw/zinc/22/95/97/1059229597.db2.gz IKZWBPNNYXBLKN-KBPBESRZSA-N 0 3 305.447 2.129 20 30 DEEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001501219423 1059385022 /nfs/dbraw/zinc/38/50/22/1059385022.db2.gz KLMNVPBKLKCKTG-IYBDPMFKSA-N 0 3 311.429 2.021 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@@H](C)OC)C1 ZINC001501558439 1059547734 /nfs/dbraw/zinc/54/77/34/1059547734.db2.gz BOQYUECVTPHXSP-KGLIPLIRSA-N 0 3 302.846 2.382 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2CCOCC2)cc1 ZINC001501670787 1059624370 /nfs/dbraw/zinc/62/43/70/1059624370.db2.gz PKZPPZJHTQXGID-CQSZACIVSA-N 0 3 300.402 2.013 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)[C@@H](C)COC)C1 ZINC001368575007 1148503181 /nfs/dbraw/zinc/50/31/81/1148503181.db2.gz SNCXLJDNWQTYTK-PYJNHQTQSA-N 0 3 302.846 2.142 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc(N3CC=CC3)c2)CCC1 ZINC001502005085 1059856413 /nfs/dbraw/zinc/85/64/13/1059856413.db2.gz KTWGBEJKGQGIFZ-UHFFFAOYSA-N 0 3 323.440 2.328 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCO[C@H](CNCCF)C1)c1ccccc1 ZINC001502094108 1059924408 /nfs/dbraw/zinc/92/44/08/1059924408.db2.gz APSAWAKBQCUYFL-DOTOQJQBSA-N 0 3 320.408 2.133 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001502100197 1059928846 /nfs/dbraw/zinc/92/88/46/1059928846.db2.gz XXIFZRFTEDLRLU-IAGOWNOFSA-N 0 3 307.482 2.217 20 30 DEEDHN CCCC[C@H](C)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001502120994 1059959215 /nfs/dbraw/zinc/95/92/15/1059959215.db2.gz CSGGXLUIYBAWJG-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)c1c(C)noc1C ZINC001502382329 1060093367 /nfs/dbraw/zinc/09/33/67/1060093367.db2.gz PBMMCPMIJRAFEK-ZDUSSCGKSA-N 0 3 305.422 2.199 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1CCOc2ccccc21 ZINC001502383639 1060094553 /nfs/dbraw/zinc/09/45/53/1060094553.db2.gz ZKZFPYFDLJLNLF-KRWDZBQOSA-N 0 3 314.429 2.356 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC(F)(F)C(F)F)C2 ZINC001502546694 1060174375 /nfs/dbraw/zinc/17/43/75/1060174375.db2.gz WKMBVISTQAIVSQ-CQSZACIVSA-N 0 3 320.330 2.225 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001496028362 1060180034 /nfs/dbraw/zinc/18/00/34/1060180034.db2.gz PEKRSLROQNIRIZ-KBPBESRZSA-N 0 3 317.820 2.288 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001502593307 1060190448 /nfs/dbraw/zinc/19/04/48/1060190448.db2.gz DXNPCPGFGYJVEV-ROUUACIJSA-N 0 3 308.466 2.169 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C(C)(C)CCCCC)C1 ZINC001502600254 1060192693 /nfs/dbraw/zinc/19/26/93/1060192693.db2.gz RIPCOLKYILWDJD-SFHVURJKSA-N 0 3 308.466 2.169 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[C@H]2CCOC2)C1 ZINC001369170258 1148860509 /nfs/dbraw/zinc/86/05/09/1148860509.db2.gz NFTBLLVQXMGNEV-IHRRRGAJSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1NCC#Cc1ccccc1 ZINC001502698052 1060230228 /nfs/dbraw/zinc/23/02/28/1060230228.db2.gz KXJTZVCPEKWZEB-WBVHZDCISA-N 0 3 308.381 2.381 20 30 DEEDHN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2nc(C)c(C)[nH]2)CC1 ZINC001471859228 1060327306 /nfs/dbraw/zinc/32/73/06/1060327306.db2.gz JUTSFCUYHYIFFA-MRXNPFEDSA-N 0 3 314.433 2.035 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)C(C)(C)C1 ZINC001502834456 1060345514 /nfs/dbraw/zinc/34/55/14/1060345514.db2.gz LFKVQTGJKFHEEP-HOTGVXAUSA-N 0 3 316.449 2.074 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@H]1C ZINC001502946878 1060403508 /nfs/dbraw/zinc/40/35/08/1060403508.db2.gz BVJJUWMNTDBYKO-KGLIPLIRSA-N 0 3 305.426 2.134 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@H]1C ZINC001502946878 1060403530 /nfs/dbraw/zinc/40/35/30/1060403530.db2.gz BVJJUWMNTDBYKO-KGLIPLIRSA-N 0 3 305.426 2.134 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncccc1C ZINC001505413950 1060550403 /nfs/dbraw/zinc/55/04/03/1060550403.db2.gz WGMMNIWQSSFNCU-IEBWSBKVSA-N 0 3 319.408 2.399 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@H](C)SC)C1 ZINC001505482751 1060649784 /nfs/dbraw/zinc/64/97/84/1060649784.db2.gz QREFBBRXSFSFJV-WHXUTIOJSA-N 0 3 321.284 2.131 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cncnc2C2CC2)C1 ZINC001505532754 1060682220 /nfs/dbraw/zinc/68/22/20/1060682220.db2.gz PZVJGQDVKRXFTR-UHFFFAOYSA-N 0 3 320.824 2.205 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CCCC1 ZINC001505543759 1060691031 /nfs/dbraw/zinc/69/10/31/1060691031.db2.gz CJWRANXZPRFBTN-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](C)NC(=O)C(C)(F)F ZINC001505544948 1060693744 /nfs/dbraw/zinc/69/37/44/1060693744.db2.gz RVWHSIZAQLRLLM-NXEZZACHSA-N 0 3 313.323 2.335 20 30 DEEDHN CC(C)OCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001505569684 1060722487 /nfs/dbraw/zinc/72/24/87/1060722487.db2.gz GNFULFSQVARGJD-RYUDHWBXSA-N 0 3 309.435 2.028 20 30 DEEDHN N#Cc1ccsc1NC(=O)CNC1([C@H]2CCCO2)CCC1 ZINC001473889345 1060756566 /nfs/dbraw/zinc/75/65/66/1060756566.db2.gz LNCGGSLCUPTVNY-GFCCVEGCSA-N 0 3 305.403 2.250 20 30 DEEDHN COc1cc(CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)ccn1 ZINC001505603510 1060767519 /nfs/dbraw/zinc/76/75/19/1060767519.db2.gz WZMRGUBCCOPGPA-KBPBESRZSA-N 0 3 317.433 2.123 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001505907710 1061118160 /nfs/dbraw/zinc/11/81/60/1061118160.db2.gz JSZIYPGZQZZNDB-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccnnc1C ZINC001479227437 1061300734 /nfs/dbraw/zinc/30/07/34/1061300734.db2.gz YFMZPNBYCROQRT-HIFRSBDPSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cn1ncc2ccccc21 ZINC001479255313 1061333345 /nfs/dbraw/zinc/33/33/45/1061333345.db2.gz FEMGWSFRJPNNAX-MRXNPFEDSA-N 0 3 312.417 2.145 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(OC)cc1 ZINC001479264950 1061345887 /nfs/dbraw/zinc/34/58/87/1061345887.db2.gz SPWSJHWTMFPONR-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1C[C@H](NCc2ccns2)C1 ZINC001479362436 1061414131 /nfs/dbraw/zinc/41/41/31/1061414131.db2.gz POANDBHCSDMNFA-HDJSIYSDSA-N 0 3 305.447 2.321 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCOCC(F)F ZINC001479734190 1061654584 /nfs/dbraw/zinc/65/45/84/1061654584.db2.gz AXKNUEPPOTXXDZ-ZDUSSCGKSA-N 0 3 304.381 2.157 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(OC)ns1 ZINC001479735656 1061660695 /nfs/dbraw/zinc/66/06/95/1061660695.db2.gz YLQCZUMZIUTZBF-LBPRGKRZSA-N 0 3 309.435 2.264 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCc2sc(CNCCC3CC3)nc2C1 ZINC001479741173 1061668903 /nfs/dbraw/zinc/66/89/03/1061668903.db2.gz ORPJQBZPXJBHFC-LLVKDONJSA-N 0 3 318.446 2.077 20 30 DEEDHN C/C=C(/C)C(=O)N[C@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001479746755 1061676345 /nfs/dbraw/zinc/67/63/45/1061676345.db2.gz UDDYBVHVPRTLOA-PJVYJYFWSA-N 0 3 306.450 2.209 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)c1ccncc1 ZINC001479751986 1061683597 /nfs/dbraw/zinc/68/35/97/1061683597.db2.gz BVLBZEAJCVZNRF-UHFFFAOYSA-N 0 3 319.408 2.231 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@H](NCc1ccn(C)n1)C(C)C ZINC001506178087 1061715606 /nfs/dbraw/zinc/71/56/06/1061715606.db2.gz QHBWRJHKQLLKKN-KRWDZBQOSA-N 0 3 318.465 2.042 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc[n+]([O-])cc1 ZINC001479818738 1061834941 /nfs/dbraw/zinc/83/49/41/1061834941.db2.gz AQAXZSIJNPBZJY-UKRRQHHQSA-N 0 3 323.824 2.045 20 30 DEEDHN CCN(CC#Cc1ccc(F)cc1)CCCNC(=O)C1CC1 ZINC001479829842 1061856440 /nfs/dbraw/zinc/85/64/40/1061856440.db2.gz DHPBQBOUFLGZPB-UHFFFAOYSA-N 0 3 302.393 2.415 20 30 DEEDHN CCN(CCCNC(=O)[C@@H](C)C#N)Cc1cnn(C(C)(C)C)c1 ZINC001479839450 1061879546 /nfs/dbraw/zinc/87/95/46/1061879546.db2.gz RRCAPOPJYJLXRS-AWEZNQCLSA-N 0 3 319.453 2.126 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C2(C)CCCC2)CC1 ZINC001479919605 1062048609 /nfs/dbraw/zinc/04/86/09/1062048609.db2.gz ALWQKOCMPFAHDG-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H](CN(C)CCF)C2)cc1 ZINC001480080721 1062290294 /nfs/dbraw/zinc/29/02/94/1062290294.db2.gz DXGXSWYBWXYPBU-MRXNPFEDSA-N 0 3 302.393 2.421 20 30 DEEDHN C#CCCCC(=O)N1CC[C@]2(C1)CN([C@@H](C)CCC=C)CCO2 ZINC001506722791 1062307715 /nfs/dbraw/zinc/30/77/15/1062307715.db2.gz QFHOTWZBAQRBRE-PKOBYXMFSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CSCC#N ZINC001480090368 1062311732 /nfs/dbraw/zinc/31/17/32/1062311732.db2.gz MONKKBFYNDHQRM-KFWWJZLASA-N 0 3 307.463 2.273 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](NCc2ncccc2C)C1 ZINC001480131378 1062364466 /nfs/dbraw/zinc/36/44/66/1062364466.db2.gz UXEUBANEJPAIQH-BZUAXINKSA-N 0 3 317.433 2.108 20 30 DEEDHN C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)c1 ZINC001480181029 1062436115 /nfs/dbraw/zinc/43/61/15/1062436115.db2.gz MUIGZKIPGVMZFP-ALOPSCKCSA-N 0 3 316.449 2.388 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)C=C(C)C)C1 ZINC001506873853 1062458634 /nfs/dbraw/zinc/45/86/34/1062458634.db2.gz FSHZXZLVRPFTGJ-HAQNSBGRSA-N 0 3 301.228 2.346 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001480271882 1062576675 /nfs/dbraw/zinc/57/66/75/1062576675.db2.gz MZKQFXVMCJBCLA-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001480371741 1062731005 /nfs/dbraw/zinc/73/10/05/1062731005.db2.gz FEMDLTSVRIAGNH-HUUCEWRRSA-N 0 3 320.458 2.228 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCOC ZINC001480373802 1062737418 /nfs/dbraw/zinc/73/74/18/1062737418.db2.gz SNEZENQFBDEJSE-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC001480381303 1062759089 /nfs/dbraw/zinc/75/90/89/1062759089.db2.gz BKRYXDNEQUHUEX-CVEARBPZSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(C)nc1C ZINC001507073085 1062784166 /nfs/dbraw/zinc/78/41/66/1062784166.db2.gz XZNGZORHKZVYTI-HNNXBMFYSA-N 0 3 301.434 2.438 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001507074431 1062785211 /nfs/dbraw/zinc/78/52/11/1062785211.db2.gz TVOPFOCRBWTLPC-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@H](CNC(=O)C#CC1CC1)NCc1ccccc1OC1CC1 ZINC001480456790 1062892147 /nfs/dbraw/zinc/89/21/47/1062892147.db2.gz CASBLGLLGFQSMA-CQSZACIVSA-N 0 3 312.413 2.236 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](CO)NCc1ccc(C)cc1 ZINC001507240848 1062991333 /nfs/dbraw/zinc/99/13/33/1062991333.db2.gz PNFCTWHZZLLFIX-MRXNPFEDSA-N 0 3 304.434 2.164 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(CO)ccc2F)[C@H]1C ZINC001507272009 1063014750 /nfs/dbraw/zinc/01/47/50/1063014750.db2.gz LLSMPJPUCMLOHE-DYVFJYSZSA-N 0 3 320.408 2.363 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001480599050 1063094990 /nfs/dbraw/zinc/09/49/90/1063094990.db2.gz YVQDCUNLCXBFQL-CABCVRRESA-N 0 3 320.408 2.063 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cn(CC)c3ccccc23)C1 ZINC001480617272 1063108726 /nfs/dbraw/zinc/10/87/26/1063108726.db2.gz KXZKJVPVRULKDY-HNNXBMFYSA-N 0 3 309.413 2.489 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NCC(=O)N(CC)CC)C(C)(C)C1 ZINC001507434092 1063282979 /nfs/dbraw/zinc/28/29/79/1063282979.db2.gz PWFKQVAGGCOFJL-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001507443849 1063292565 /nfs/dbraw/zinc/29/25/65/1063292565.db2.gz VDJDMMWAWQORMV-OAHLLOKOSA-N 0 3 306.450 2.065 20 30 DEEDHN C[C@@H](CCNC(=O)COC(C)(C)C)NCc1ccccc1C#N ZINC001480758024 1063304575 /nfs/dbraw/zinc/30/45/75/1063304575.db2.gz XGYYHNLVUTUUPJ-AWEZNQCLSA-N 0 3 317.433 2.358 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001480800739 1063361622 /nfs/dbraw/zinc/36/16/22/1063361622.db2.gz NNORCEASNLUUPG-CMPLNLGQSA-N 0 3 324.856 2.385 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001507696812 1063385402 /nfs/dbraw/zinc/38/54/02/1063385402.db2.gz LRFVUIWDJWNAHI-OAHLLOKOSA-N 0 3 316.445 2.289 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CCc1ccn(C)n1)C(C)C ZINC001507792380 1063423367 /nfs/dbraw/zinc/42/33/67/1063423367.db2.gz DBVSRGPZQLKLGD-UHFFFAOYSA-N 0 3 306.454 2.098 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H](CNCCF)C(C)(C)C)cc1 ZINC001508024713 1063500730 /nfs/dbraw/zinc/50/07/30/1063500730.db2.gz WOLGQWCLALICPL-MRXNPFEDSA-N 0 3 320.408 2.402 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)c2cccs2)CC1 ZINC001508055226 1063523490 /nfs/dbraw/zinc/52/34/90/1063523490.db2.gz WUGXCAUHNVBTNS-CQSZACIVSA-N 0 3 320.458 2.228 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1cccc(OCC)n1 ZINC001493115452 1063581798 /nfs/dbraw/zinc/58/17/98/1063581798.db2.gz BORVYMOOTKJFTQ-INIZCTEOSA-N 0 3 317.433 2.180 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001493219589 1063646930 /nfs/dbraw/zinc/64/69/30/1063646930.db2.gz LBFZNRMXCZIEGT-INIZCTEOSA-N 0 3 309.413 2.172 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H](CC)N(C)C ZINC001508289056 1063649478 /nfs/dbraw/zinc/64/94/78/1063649478.db2.gz OMHWHWPBUGWEQA-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(CCNC(=O)c1cccc(NC(C)=O)c1C)C1CC1 ZINC001493436351 1063793423 /nfs/dbraw/zinc/79/34/23/1063793423.db2.gz UDEWECIRMXCOMR-UHFFFAOYSA-N 0 3 315.417 2.334 20 30 DEEDHN C=CC[C@@H](C(=O)N(C)CCNCC#CCOC)c1ccccc1 ZINC001493802368 1063968043 /nfs/dbraw/zinc/96/80/43/1063968043.db2.gz SCOZFZTZQRNQKB-GOSISDBHSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnn(C)c1Cl)c1ccccc1 ZINC001493893862 1064013738 /nfs/dbraw/zinc/01/37/38/1064013738.db2.gz IIATUVVIEDBRKZ-CQSZACIVSA-N 0 3 318.808 2.320 20 30 DEEDHN C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001493914078 1064022029 /nfs/dbraw/zinc/02/20/29/1064022029.db2.gz NSRPNILPUXQJEE-YKZUCCNHSA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnc[n-]c2=O)C1 ZINC001493957955 1064040827 /nfs/dbraw/zinc/04/08/27/1064040827.db2.gz YNPZIMIKUHMHHO-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnc[n-]c2=O)C1 ZINC001493957955 1064040829 /nfs/dbraw/zinc/04/08/29/1064040829.db2.gz YNPZIMIKUHMHHO-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NC(=O)CN(CC)CC)C(C)(C)C1 ZINC001509571908 1064048886 /nfs/dbraw/zinc/04/88/86/1064048886.db2.gz FLNXAIGPCQOLJL-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001567337240 1064149824 /nfs/dbraw/zinc/14/98/24/1064149824.db2.gz DTXPVBREVNZIOS-AWEZNQCLSA-N 0 3 304.438 2.400 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001567380397 1064172879 /nfs/dbraw/zinc/17/28/79/1064172879.db2.gz OVTLUGUDBLXKDW-DLBZAZTESA-N 0 3 320.408 2.480 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCn1nc(C)cc1C ZINC001567380592 1064172956 /nfs/dbraw/zinc/17/29/56/1064172956.db2.gz SICUPWFJZIJWKN-MRXNPFEDSA-N 0 3 304.438 2.047 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc(OC)c1OC)C1CC1 ZINC001567453873 1064206276 /nfs/dbraw/zinc/20/62/76/1064206276.db2.gz SNYUSDCWHVKQIN-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN CCc1ccc([C@H](C)C(=O)N(C)CCNCC#CCOC)cc1 ZINC001567577474 1064260293 /nfs/dbraw/zinc/26/02/93/1064260293.db2.gz SUVDCCKMUAYCBO-INIZCTEOSA-N 0 3 316.445 2.050 20 30 DEEDHN C=CCC[N@@H+](CCCNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001567642403 1064306761 /nfs/dbraw/zinc/30/67/61/1064306761.db2.gz QVHKPUPUGCIXAI-UHFFFAOYSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCC[N@H+](CCCNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001567642403 1064306766 /nfs/dbraw/zinc/30/67/66/1064306766.db2.gz QVHKPUPUGCIXAI-UHFFFAOYSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1csc(=O)[nH]1)c1ccccc1 ZINC001567662181 1064324687 /nfs/dbraw/zinc/32/46/87/1064324687.db2.gz DDIDYEJDSOUDDA-LBPRGKRZSA-N 0 3 303.387 2.095 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ncnc2[nH]ccc21)c1ccccc1 ZINC001567661084 1064325766 /nfs/dbraw/zinc/32/57/66/1064325766.db2.gz QDDPSIUNDRTRFP-HNNXBMFYSA-N 0 3 321.384 2.156 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)c1ccccc1 ZINC001567664801 1064328977 /nfs/dbraw/zinc/32/89/77/1064328977.db2.gz VSINPVSIHZMCFW-PBHICJAKSA-N 0 3 312.417 2.221 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCCc2sccc2C)C1 ZINC001494617577 1064359804 /nfs/dbraw/zinc/35/98/04/1064359804.db2.gz CWXHDTIIWVKFJT-UHFFFAOYSA-N 0 3 304.459 2.451 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CN([C@@H]2CCc3ccccc32)C1 ZINC001567828325 1064447083 /nfs/dbraw/zinc/44/70/83/1064447083.db2.gz MNDOYUVSUXYDCI-IEBWSBKVSA-N 0 3 314.429 2.049 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001494761663 1064456016 /nfs/dbraw/zinc/45/60/16/1064456016.db2.gz XCPNUHWJMTUNQA-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001567849871 1064456738 /nfs/dbraw/zinc/45/67/38/1064456738.db2.gz OCTYGMGDGAOHER-CQSZACIVSA-N 0 3 302.393 2.076 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCOc1ccccc1 ZINC001567865961 1064470983 /nfs/dbraw/zinc/47/09/83/1064470983.db2.gz DTXRPGKITYMHSJ-HOTGVXAUSA-N 0 3 300.402 2.317 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)COc2cccc(C(C)C)c2)C1 ZINC001567874159 1064475687 /nfs/dbraw/zinc/47/56/87/1064475687.db2.gz MXFOYRDFXOKGAP-KRWDZBQOSA-N 0 3 314.429 2.403 20 30 DEEDHN CN(C(=O)CSCC#N)[C@@H]1CCN(CCc2ccccc2)C1 ZINC001494802223 1064475820 /nfs/dbraw/zinc/47/58/20/1064475820.db2.gz QHXJBXLBFJASOZ-MRXNPFEDSA-N 0 3 317.458 2.019 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H]1CCN(CCCc2nc(C)no2)C1 ZINC001494843150 1064503900 /nfs/dbraw/zinc/50/39/00/1064503900.db2.gz XYRMBBROWAQVGO-HNNXBMFYSA-N 0 3 320.437 2.200 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ccc(C)n2C)C1 ZINC001494881491 1064538316 /nfs/dbraw/zinc/53/83/16/1064538316.db2.gz VLWLCFQSNIWYIF-INIZCTEOSA-N 0 3 319.449 2.073 20 30 DEEDHN C#CCN1CC[C@@H](N(CC)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001494913263 1064571364 /nfs/dbraw/zinc/57/13/64/1064571364.db2.gz MGIWOJUIWYIEPI-MRXNPFEDSA-N 0 3 316.449 2.312 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CCNCc2nnc(C)[nH]2)CC1 ZINC001568090237 1064641454 /nfs/dbraw/zinc/64/14/54/1064641454.db2.gz AIHSPBSREMHIJA-UHFFFAOYSA-N 0 3 319.453 2.044 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)CC[C@H]2CCOC2)cc1 ZINC001568116961 1064654979 /nfs/dbraw/zinc/65/49/79/1064654979.db2.gz VKMZSHRGGULMRR-SFHVURJKSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCO[C@H](CC)C2)cc1 ZINC001568121935 1064658079 /nfs/dbraw/zinc/65/80/79/1064658079.db2.gz SZCMEWLNADGTKM-ZWKOTPCHSA-N 0 3 314.429 2.231 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001568234107 1064717973 /nfs/dbraw/zinc/71/79/73/1064717973.db2.gz PZNVVYCBVPLEGU-UHFFFAOYSA-N 0 3 305.447 2.465 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)/C=C(/C)C1CC1)CC2 ZINC001568248740 1064727001 /nfs/dbraw/zinc/72/70/01/1064727001.db2.gz ZFEKNJURFWTNBJ-SSZFMOIBSA-N 0 3 318.461 2.470 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2ncccc2C)cn1 ZINC001568313105 1064771625 /nfs/dbraw/zinc/77/16/25/1064771625.db2.gz VUBOYRQYOBZEMM-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001568407778 1064844074 /nfs/dbraw/zinc/84/40/74/1064844074.db2.gz UWVHSEAAHDWIIC-ZFWWWQNUSA-N 0 3 319.453 2.186 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1 ZINC001495359439 1064859725 /nfs/dbraw/zinc/85/97/25/1064859725.db2.gz JMSWPYBUYDWAER-AWEZNQCLSA-N 0 3 314.857 2.262 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001495369140 1064865132 /nfs/dbraw/zinc/86/51/32/1064865132.db2.gz CVDWBVLPWZNVMS-NSHDSACASA-N 0 3 314.842 2.123 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCc1ccc(OC)cc1 ZINC001568503599 1064917815 /nfs/dbraw/zinc/91/78/15/1064917815.db2.gz KFDQSSVHRPJCQO-UHFFFAOYSA-N 0 3 302.418 2.041 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1cnc(C)o1 ZINC001568525389 1064937133 /nfs/dbraw/zinc/93/71/33/1064937133.db2.gz ZLNCRPDJAZHSJF-GOEBONIOSA-N 0 3 303.406 2.161 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)Cc2cccnc2)cc1 ZINC001495485627 1064938577 /nfs/dbraw/zinc/93/85/77/1064938577.db2.gz QSLUXPPRFSLRHC-UHFFFAOYSA-N 0 3 307.397 2.053 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1nccn1C ZINC001568532462 1064943817 /nfs/dbraw/zinc/94/38/17/1064943817.db2.gz FFCQDCXCTJYMRV-HUUCEWRRSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2c1OCCO2 ZINC001568638421 1065012719 /nfs/dbraw/zinc/01/27/19/1065012719.db2.gz BYGGPUUNZBZCPZ-LBPRGKRZSA-N 0 3 324.808 2.308 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)C[C@H](C)OC ZINC001568729109 1065082536 /nfs/dbraw/zinc/08/25/36/1065082536.db2.gz XRUVLCLFMHPIFN-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C#CCNC/C=C/CNC(=O)COc1cccc(C(C)C)c1 ZINC001568854761 1065159878 /nfs/dbraw/zinc/15/98/78/1065159878.db2.gz IHDWCAVEDXPTHA-AATRIKPKSA-N 0 3 300.402 2.084 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](OC)C(C)C)CCCC1 ZINC001495941989 1065187233 /nfs/dbraw/zinc/18/72/33/1065187233.db2.gz XJMZDEVRJHWAPM-CYBMUJFWSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001496052341 1065252709 /nfs/dbraw/zinc/25/27/09/1065252709.db2.gz VYFUURKBINROFS-ZFWWWQNUSA-N 0 3 306.356 2.130 20 30 DEEDHN C#CCCCC(=O)N(C)CCCNCc1c(C)nn(C)c1Cl ZINC001569197159 1065360900 /nfs/dbraw/zinc/36/09/00/1065360900.db2.gz YJQQGZQMOLRQGM-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)/C=C\C(C)(C)C ZINC001496261072 1065369915 /nfs/dbraw/zinc/36/99/15/1065369915.db2.gz JDXTVXFMMPNMBD-YDZSZYSISA-N 0 3 308.466 2.359 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001569314902 1065424331 /nfs/dbraw/zinc/42/43/31/1065424331.db2.gz OYQQKXWNFLKXSX-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1cncn1C)C1CC1 ZINC001569317906 1065426440 /nfs/dbraw/zinc/42/64/40/1065426440.db2.gz HEFMUKBBXAWLJV-RDJZCZTQSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)Cc1cnn(C)c1 ZINC001496385536 1065441657 /nfs/dbraw/zinc/44/16/57/1065441657.db2.gz AWFQRWCFZAULKP-OAHLLOKOSA-N 0 3 324.856 2.076 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001569386592 1065480587 /nfs/dbraw/zinc/48/05/87/1065480587.db2.gz QVDZZGMDUYDXJT-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(Cl)cc2OC)CC1 ZINC001569415871 1065497493 /nfs/dbraw/zinc/49/74/93/1065497493.db2.gz UTLCSHFDUVUGHB-UHFFFAOYSA-N 0 3 306.793 2.224 20 30 DEEDHN CC[C@H](F)CNC1(CNC(=O)CC#Cc2ccccc2)CC1 ZINC001569431277 1065503944 /nfs/dbraw/zinc/50/39/44/1065503944.db2.gz LCICAKUVKSLNER-INIZCTEOSA-N 0 3 302.393 2.415 20 30 DEEDHN CC(C)[C@H](CNC(=O)C#CC1CC1)NCC#Cc1ccccc1 ZINC001496555356 1065559171 /nfs/dbraw/zinc/55/91/71/1065559171.db2.gz DCBZXOBGSXOUBN-IBGZPJMESA-N 0 3 308.425 2.182 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1coc(OCC)n1)C(C)C ZINC001496578854 1065572301 /nfs/dbraw/zinc/57/23/01/1065572301.db2.gz SOPGULWOPBFCBR-LLVKDONJSA-N 0 3 315.801 2.170 20 30 DEEDHN N#CCSCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001569530215 1065573604 /nfs/dbraw/zinc/57/36/04/1065573604.db2.gz GTLLXXVOTZRQEF-CQSZACIVSA-N 0 3 321.421 2.163 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001569640715 1065643094 /nfs/dbraw/zinc/64/30/94/1065643094.db2.gz HFECTSHAFBCFBW-QGZVFWFLSA-N 0 3 324.371 2.362 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(CCc2ccnn2C)C1 ZINC001569647104 1065646950 /nfs/dbraw/zinc/64/69/50/1065646950.db2.gz YQEDMXPYCSGOIV-YJBOKZPZSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC001569695719 1065676348 /nfs/dbraw/zinc/67/63/48/1065676348.db2.gz RJUORKGOYCQGKT-INIZCTEOSA-N 0 3 323.462 2.064 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cn(C(C)C)nc2C)CC1 ZINC001569706642 1065682137 /nfs/dbraw/zinc/68/21/37/1065682137.db2.gz SOYZJSMGBNOHAC-UHFFFAOYSA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccnc2C)C1 ZINC001496855564 1065755231 /nfs/dbraw/zinc/75/52/31/1065755231.db2.gz RZPREVZSUIETMI-DOTOQJQBSA-N 0 3 314.433 2.174 20 30 DEEDHN CC[C@H](CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@H]2C1)C(C)C ZINC001569881549 1065788898 /nfs/dbraw/zinc/78/88/98/1065788898.db2.gz GERAXNWDFAYPDT-KURKYZTESA-N 0 3 320.477 2.099 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)C(C)(C)N(C)CC ZINC001497135033 1065910028 /nfs/dbraw/zinc/91/00/28/1065910028.db2.gz PJUGBOJIIJRXCK-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCC(F)(F)F)C2 ZINC001570272805 1066000213 /nfs/dbraw/zinc/00/02/13/1066000213.db2.gz ISDANPLPGTULFK-AWEZNQCLSA-N 0 3 302.340 2.277 20 30 DEEDHN C=C(C)CCNC(=O)Cc1csc(SCCN(C)C)n1 ZINC001628050192 1078287918 /nfs/dbraw/zinc/28/79/18/1078287918.db2.gz HGZHQCICZWDPNK-UHFFFAOYSA-N 0 3 313.492 2.422 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001497336558 1066034453 /nfs/dbraw/zinc/03/44/53/1066034453.db2.gz FEQZZKWOJCJQTB-AWEZNQCLSA-N 0 3 309.841 2.360 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)COC(C)(C)C ZINC001497376635 1066061194 /nfs/dbraw/zinc/06/11/94/1066061194.db2.gz KTRFXIROWMFESA-UHFFFAOYSA-N 0 3 317.433 2.311 20 30 DEEDHN Cc1ccncc1CN1CC[C@@H](NC(=O)C#CC2CC2)C[C@@H]1C ZINC001570434634 1066066341 /nfs/dbraw/zinc/06/63/41/1066066341.db2.gz MSCPEIYPVNVRSS-MAUKXSAKSA-N 0 3 311.429 2.273 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCOc2ccccc2C)C[C@H]1C ZINC001570449426 1066076952 /nfs/dbraw/zinc/07/69/52/1066076952.db2.gz PRDSEMZGYYKOLB-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCC1(C(=O)N(CC)CCNCc2cnn(C)c2)CCC1 ZINC001497446823 1066100428 /nfs/dbraw/zinc/10/04/28/1066100428.db2.gz BAGFXQRHABODNJ-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H](C)c1ccccc1C ZINC001497501111 1066116394 /nfs/dbraw/zinc/11/63/94/1066116394.db2.gz OBTSHSHDHRFPNS-QGZVFWFLSA-N 0 3 316.445 2.186 20 30 DEEDHN CS[C@@H](C)C(=O)NC/C=C/CNCc1ccc(F)c(C#N)c1 ZINC001497533233 1066129575 /nfs/dbraw/zinc/12/95/75/1066129575.db2.gz FNUURMXCEDPEJB-PCAWENJQSA-N 0 3 321.421 2.211 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H](C)CNCc2cccnc2)cc1 ZINC001497933646 1066420470 /nfs/dbraw/zinc/42/04/70/1066420470.db2.gz NUHDTQNCEOXIKV-OAHLLOKOSA-N 0 3 323.396 2.002 20 30 DEEDHN CCCC(=O)N[C@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001498218842 1066567042 /nfs/dbraw/zinc/56/70/42/1066567042.db2.gz VBVSMXJLXZJBIF-CQSZACIVSA-N 0 3 303.406 2.326 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)c2cccc(F)c2O1 ZINC001576759691 1066681642 /nfs/dbraw/zinc/68/16/42/1066681642.db2.gz BKPJKNKPGXUQGF-YPMHNXCESA-N 0 3 305.353 2.351 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001498442144 1066709282 /nfs/dbraw/zinc/70/92/82/1066709282.db2.gz BQXUMCSCZVAHOB-CRAIPNDOSA-N 0 3 302.418 2.315 20 30 DEEDHN CC(C)n1ccc(CNCCCN(C)C(=O)C#CC(C)(C)C)n1 ZINC001498544931 1066772943 /nfs/dbraw/zinc/77/29/43/1066772943.db2.gz AQFGLALJUNEGHZ-UHFFFAOYSA-N 0 3 318.465 2.452 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](c2n[nH]cc2N)C1 ZINC001577426490 1066840277 /nfs/dbraw/zinc/84/02/77/1066840277.db2.gz PJSVGGRSMCRBPF-ZIAGYGMSSA-N 0 3 321.469 2.386 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccc(F)cc1)C1CC1)C1CCC1 ZINC001498717483 1066845341 /nfs/dbraw/zinc/84/53/41/1066845341.db2.gz VMEWLKOLZPBCKG-GOSISDBHSA-N 0 3 314.404 2.462 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001498760570 1066871348 /nfs/dbraw/zinc/87/13/48/1066871348.db2.gz UEOIGURXTNSGID-IBGZPJMESA-N 0 3 324.399 2.075 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1ccnn1C)C1CC1 ZINC001498766344 1066874091 /nfs/dbraw/zinc/87/40/91/1066874091.db2.gz BEFBLRAFYWPBKJ-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn(C)nc1C(F)(F)F ZINC001635753152 1078457659 /nfs/dbraw/zinc/45/76/59/1078457659.db2.gz JQJXOXFRIBSCKC-UHFFFAOYSA-N 0 3 318.343 2.019 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001635757908 1078457733 /nfs/dbraw/zinc/45/77/33/1078457733.db2.gz QEEJUSNPWWKAAB-AWEZNQCLSA-N 0 3 304.438 2.045 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001499100783 1067094313 /nfs/dbraw/zinc/09/43/13/1067094313.db2.gz RTOBQTRYOAEIFH-KBPBESRZSA-N 0 3 304.438 2.233 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cccc2ccsc21 ZINC001266984163 1078480843 /nfs/dbraw/zinc/48/08/43/1078480843.db2.gz RIEPTSPENCJUEI-CYBMUJFWSA-N 0 3 316.426 2.259 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc3c(o2)c(F)ccc3C)CC1 ZINC001499298719 1067174644 /nfs/dbraw/zinc/17/46/44/1067174644.db2.gz FJWOFNNPOHVFOC-UHFFFAOYSA-N 0 3 300.333 2.366 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001499468754 1067229898 /nfs/dbraw/zinc/22/98/98/1067229898.db2.gz CGRRRDJECBNKPY-MRXNPFEDSA-N 0 3 320.477 2.481 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001267004019 1078493299 /nfs/dbraw/zinc/49/32/99/1078493299.db2.gz VKLTXSBSWSGGCN-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H](O)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001636977510 1078496861 /nfs/dbraw/zinc/49/68/61/1078496861.db2.gz WYQATMHFSUYJRD-DLBZAZTESA-N 0 3 302.418 2.046 20 30 DEEDHN COc1ccc2c(c1)CCCCN2C(=O)[C@@H](N)CCCC#N ZINC001579243735 1067271458 /nfs/dbraw/zinc/27/14/58/1067271458.db2.gz MNTDDIDIJBKROK-HNNXBMFYSA-N 0 3 301.390 2.386 20 30 DEEDHN Cc1cc(C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc(C)c1C#N ZINC001579563597 1067372341 /nfs/dbraw/zinc/37/23/41/1067372341.db2.gz LCJKKMPWKXRILQ-SWLSCSKDSA-N 0 3 301.390 2.018 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc(C)c1C#N ZINC001579563531 1067372887 /nfs/dbraw/zinc/37/28/87/1067372887.db2.gz LCJKKMPWKXRILQ-DOMZBBRYSA-N 0 3 301.390 2.018 20 30 DEEDHN Cc1cc(C)c2c(c1)CCN(C(=O)C1CC3(C1)CNC[C@@H]3C#N)C2 ZINC001579577612 1067375783 /nfs/dbraw/zinc/37/57/83/1067375783.db2.gz SWKXUFICURGVHZ-GNZRSQJKSA-N 0 3 323.440 2.328 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001267042966 1078523251 /nfs/dbraw/zinc/52/32/51/1078523251.db2.gz GFYHZSGEWDZQMF-TZMCWYRMSA-N 0 3 319.453 2.215 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001369225274 1148873963 /nfs/dbraw/zinc/87/39/63/1148873963.db2.gz ASVPWDQNWGVHNC-DOMZBBRYSA-N 0 3 323.462 2.371 20 30 DEEDHN Cc1nc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)ccc1C#N ZINC001579853407 1067439199 /nfs/dbraw/zinc/43/91/99/1067439199.db2.gz PBCJCPWNVLKNOW-KRWDZBQOSA-N 0 3 322.368 2.175 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001580051055 1067482960 /nfs/dbraw/zinc/48/29/60/1067482960.db2.gz YGPKMACPXXGGSZ-AEGPPILISA-N 0 3 307.344 2.348 20 30 DEEDHN N#Cc1c[nH]c2cc(C(=O)NC3(c4ccccc4)CNC3)ccc12 ZINC001580061277 1067486178 /nfs/dbraw/zinc/48/61/78/1067486178.db2.gz IFOFKTXVALMFMS-UHFFFAOYSA-N 0 3 316.364 2.268 20 30 DEEDHN [NH3+]C[C@H]1OCC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001580273214 1067548735 /nfs/dbraw/zinc/54/87/35/1067548735.db2.gz GJXLHCJBOJYZOX-NWDGAFQWSA-N 0 3 319.188 2.075 20 30 DEEDHN CCn1cccc1C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267081559 1078554566 /nfs/dbraw/zinc/55/45/66/1078554566.db2.gz MZQKJPOMLRYYKR-UHFFFAOYSA-N 0 3 310.401 2.241 20 30 DEEDHN CCc1noc(C)c1CNC[C@H](NC(=O)C#CC(C)C)C1CC1 ZINC001483560292 1078597612 /nfs/dbraw/zinc/59/76/12/1078597612.db2.gz RRENKFCJTTVTKJ-KRWDZBQOSA-N 0 3 317.433 2.189 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001483582092 1078611466 /nfs/dbraw/zinc/61/14/66/1078611466.db2.gz UMGMWSBMOJMMRK-KKXDTOCCSA-N 0 3 314.404 2.318 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cn(C)nc1C)C1CC1 ZINC001483589313 1078616499 /nfs/dbraw/zinc/61/64/99/1078616499.db2.gz DQPOZSAKOBMZEA-INIZCTEOSA-N 0 3 318.465 2.315 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cncc(OC)c1C ZINC001570534870 1067991469 /nfs/dbraw/zinc/99/14/69/1067991469.db2.gz RWMYNMDEYPGBPS-CQSZACIVSA-N 0 3 303.406 2.121 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001640015724 1078637283 /nfs/dbraw/zinc/63/72/83/1078637283.db2.gz HRAGKLAGCSUNFY-QGZVFWFLSA-N 0 3 303.450 2.256 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@]1(F)CCOC1 ZINC001267175954 1078639170 /nfs/dbraw/zinc/63/91/70/1078639170.db2.gz WHBDLSARTSBPQR-DZGCQCFKSA-N 0 3 318.820 2.228 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@]1(F)CCOC1 ZINC001267175955 1078639269 /nfs/dbraw/zinc/63/92/69/1078639269.db2.gz WHBDLSARTSBPQR-HIFRSBDPSA-N 0 3 318.820 2.228 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCC(=O)N(CC)C1CC1 ZINC001570624234 1068043737 /nfs/dbraw/zinc/04/37/37/1068043737.db2.gz JBZSTQROWAMODT-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1cccc(OC)c1 ZINC001570710005 1068086063 /nfs/dbraw/zinc/08/60/63/1068086063.db2.gz ZRBVVRHELFFMNJ-HNNXBMFYSA-N 0 3 302.418 2.435 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cc1nc(C)sc1C ZINC001570823350 1068131344 /nfs/dbraw/zinc/13/13/44/1068131344.db2.gz WRAWQKZDGHIZCG-HNNXBMFYSA-N 0 3 319.474 2.296 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2ccc(C)o2)C(C)(C)C1 ZINC001570893765 1068152802 /nfs/dbraw/zinc/15/28/02/1068152802.db2.gz ZTDHUWKNRZFZDE-INIZCTEOSA-N 0 3 320.433 2.160 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001570905594 1068156445 /nfs/dbraw/zinc/15/64/45/1068156445.db2.gz WNTHVWCMUCHGDP-NSHDSACASA-N 0 3 302.340 2.179 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](CNCc2ocnc2C)C1 ZINC001571148109 1068186655 /nfs/dbraw/zinc/18/66/55/1068186655.db2.gz LAKFTBFWPDGUOQ-SHTZXODSSA-N 0 3 303.406 2.161 20 30 DEEDHN Cc1ncc(CN(C)C2CCN(C(=O)C#CC(C)C)CC2)o1 ZINC001571330335 1068226788 /nfs/dbraw/zinc/22/67/88/1068226788.db2.gz HNTXCZWFYRLSBG-UHFFFAOYSA-N 0 3 303.406 2.065 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C)CC(=O)N[C@@H](C)CC)CC1 ZINC001571333513 1068229242 /nfs/dbraw/zinc/22/92/42/1068229242.db2.gz UECACLAMVWDZIE-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001511274061 1068261457 /nfs/dbraw/zinc/26/14/57/1068261457.db2.gz IRDHSIONXOPKAZ-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1CC1(F)F)NCC#Cc1ccccc1 ZINC001571385670 1068265923 /nfs/dbraw/zinc/26/59/23/1068265923.db2.gz LSGIHAHVDCSVDC-HIFRSBDPSA-N 0 3 306.356 2.130 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2cccc(C)c2)nc1 ZINC001267226760 1078679159 /nfs/dbraw/zinc/67/91/59/1078679159.db2.gz NZNPJOJLQIQGSZ-UHFFFAOYSA-N 0 3 307.397 2.233 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2ccnn2C)CC1 ZINC001571405058 1068278146 /nfs/dbraw/zinc/27/81/46/1068278146.db2.gz YHCVCWVHLZNEOM-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1nsc2ccccc21 ZINC001571418416 1068286108 /nfs/dbraw/zinc/28/61/08/1068286108.db2.gz 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/nfs/dbraw/zinc/70/48/66/1078704866.db2.gz DAFUVUBIUUFSMX-AJHXJQRKSA-N 0 3 318.392 2.397 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(Cl)cc1C ZINC001571605112 1068436607 /nfs/dbraw/zinc/43/66/07/1068436607.db2.gz MRUNLOUAWRBGHL-AWEZNQCLSA-N 0 3 310.825 2.199 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN1C[C@@H]1CC(C)(C)CO1 ZINC001267266624 1078713284 /nfs/dbraw/zinc/71/32/84/1078713284.db2.gz KRLODRSADKZFCJ-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN(C)CCN(C(=O)Cc1ccn(C(C)C)n1)C(C)C ZINC001571613587 1068439619 /nfs/dbraw/zinc/43/96/19/1068439619.db2.gz BGNCXZQOVLAHSF-UHFFFAOYSA-N 0 3 318.465 2.199 20 30 DEEDHN C=CCCCC(=O)N[C@@H](CNCc1cncn1C)C(C)(C)C ZINC001571631883 1068450445 /nfs/dbraw/zinc/45/04/45/1068450445.db2.gz IHJSZXKTJPXVAR-HNNXBMFYSA-N 0 3 306.454 2.397 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@@H](C)CO2)c(F)c1 ZINC001571702988 1068491435 /nfs/dbraw/zinc/49/14/35/1068491435.db2.gz POCRLXCMAQAZAA-MLGOLLRUSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCCC(=O)N(C)C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001571783195 1068522926 /nfs/dbraw/zinc/52/29/26/1068522926.db2.gz ZJNPMUIKOFUGNA-GPANFISMSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC001483651315 1078743434 /nfs/dbraw/zinc/74/34/34/1078743434.db2.gz PBYGACYCIGSGDR-LBPRGKRZSA-N 0 3 320.355 2.112 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001483656472 1078748603 /nfs/dbraw/zinc/74/86/03/1078748603.db2.gz PBQHMXUQBHVRKT-UONOGXRCSA-N 0 3 319.453 2.192 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001483666670 1078764209 /nfs/dbraw/zinc/76/42/09/1078764209.db2.gz UXWVRKKLMZHIKG-DZGCQCFKSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CN(CC)CC)C1 ZINC001572399682 1068753033 /nfs/dbraw/zinc/75/30/33/1068753033.db2.gz CMVRCWBHXZDUOC-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC2(C)COC2)cc1 ZINC001515356522 1068868301 /nfs/dbraw/zinc/86/83/01/1068868301.db2.gz CJRPOCHIOJCUGD-AWEZNQCLSA-N 0 3 300.358 2.323 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cnn2c1cccc2OC ZINC001517046151 1068950848 /nfs/dbraw/zinc/95/08/48/1068950848.db2.gz LFDXJDQXXGFRLC-NSHDSACASA-N 0 3 309.329 2.049 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001272360848 1078831516 /nfs/dbraw/zinc/83/15/16/1078831516.db2.gz QPXHIGWAPTYUOH-UONOGXRCSA-N 0 3 310.829 2.025 20 30 DEEDHN Cc1cncc(CC(=O)N(C)CCNCc2ccc(C#N)cc2)c1 ZINC001267410257 1078832459 /nfs/dbraw/zinc/83/24/59/1078832459.db2.gz YOVVVCWTUUDIQW-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CCNCc2cnns2)C1 ZINC001272409045 1078853821 /nfs/dbraw/zinc/85/38/21/1078853821.db2.gz HMIZHQQSSSEBSS-AWEZNQCLSA-N 0 3 320.462 2.060 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)nn1C ZINC001644704912 1078857380 /nfs/dbraw/zinc/85/73/80/1078857380.db2.gz WXFXSRCLWUKKBK-CVEARBPZSA-N 0 3 316.449 2.238 20 30 DEEDHN C=C[C@H](C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1)c1ccccc1 ZINC001521286415 1069226124 /nfs/dbraw/zinc/22/61/24/1069226124.db2.gz KOCYQTQXXAXVMO-ARFHVFGLSA-N 0 3 304.459 2.460 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001521354427 1069234964 /nfs/dbraw/zinc/23/49/64/1069234964.db2.gz HODBRZPJCQXPTJ-MRVPVSSYSA-N 0 3 307.341 2.462 20 30 DEEDHN C=C(CC)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001521676649 1069260951 /nfs/dbraw/zinc/26/09/51/1069260951.db2.gz HCPQWYLCQIORNU-QZTJIDSGSA-N 0 3 314.429 2.455 20 30 DEEDHN CCN1CCC[C@]12CCN(CCOc1ccccc1C#N)C2=O ZINC001272440738 1078879042 /nfs/dbraw/zinc/87/90/42/1078879042.db2.gz VUQOYKUZRZEJHP-GOSISDBHSA-N 0 3 313.401 2.024 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCc2cc(OC)ccc2C1 ZINC001574902543 1069291685 /nfs/dbraw/zinc/29/16/85/1069291685.db2.gz CEDYCOXPRDYVOU-RDJZCZTQSA-N 0 3 302.418 2.352 20 30 DEEDHN CN(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001542887637 1072469106 /nfs/dbraw/zinc/46/91/06/1072469106.db2.gz SFXOXCBHBUEHKW-ORVLFJDJSA-N 0 3 318.392 2.397 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(C#C)cn2)C1 ZINC001267488343 1078913766 /nfs/dbraw/zinc/91/37/66/1078913766.db2.gz KJSWCLGHYBDNNQ-QGZVFWFLSA-N 0 3 309.413 2.013 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)nn1CC)c1ccccc1 ZINC001267522970 1078953440 /nfs/dbraw/zinc/95/34/40/1078953440.db2.gz OKHQRWFZDMFAQM-KRWDZBQOSA-N 0 3 324.428 2.295 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC[C@H]1CCN(Cc2cncn2C)C1 ZINC001267531447 1078962383 /nfs/dbraw/zinc/96/23/83/1078962383.db2.gz RZQNZJWLPYUXIH-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cncc(C)n3)CC2)C1=O ZINC001272562216 1078962435 /nfs/dbraw/zinc/96/24/35/1078962435.db2.gz BMKBKNSQVNXGOW-GOSISDBHSA-N 0 3 314.433 2.176 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC001368636924 1148540145 /nfs/dbraw/zinc/54/01/45/1148540145.db2.gz FTPICGRVKXZMEF-MBNYWOFBSA-N 0 3 316.405 2.086 20 30 DEEDHN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N(C)C)ccc1C#N ZINC001645725909 1078974176 /nfs/dbraw/zinc/97/41/76/1078974176.db2.gz NEEQDGCAYMDJES-CVEARBPZSA-N 0 3 321.446 2.018 20 30 DEEDHN CCN(CCNC(=O)c1coc(C)n1)Cc1cccc(C#N)c1 ZINC001480971433 1079017083 /nfs/dbraw/zinc/01/70/83/1079017083.db2.gz QOEBWIBTQRWQIH-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272619548 1079017260 /nfs/dbraw/zinc/01/72/60/1079017260.db2.gz WTWPPFTZXNKDNV-SFHVURJKSA-N 0 3 313.401 2.263 20 30 DEEDHN N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272619548 1079017265 /nfs/dbraw/zinc/01/72/65/1079017265.db2.gz WTWPPFTZXNKDNV-SFHVURJKSA-N 0 3 313.401 2.263 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(CC)[C@H](C)c1cccc(F)c1 ZINC001480974604 1079019553 /nfs/dbraw/zinc/01/95/53/1079019553.db2.gz PPYWXMYLZOOXPK-HUUCEWRRSA-N 0 3 320.408 2.363 20 30 DEEDHN N#Cc1ccc(CC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC001649030038 1079056441 /nfs/dbraw/zinc/05/64/41/1079056441.db2.gz WUHZJRKZSWPDSJ-SFHVURJKSA-N 0 3 321.380 2.400 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3[nH]cnc3C)C2)C1=O ZINC001272661512 1079070358 /nfs/dbraw/zinc/07/03/58/1079070358.db2.gz OKZPDDYGZARIAH-IBGZPJMESA-N 0 3 322.412 2.394 20 30 DEEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1cnn(C)c1)CC2 ZINC001272677098 1079113837 /nfs/dbraw/zinc/11/38/37/1079113837.db2.gz VNWCIPPKMOMWDF-UHFFFAOYSA-N 0 3 316.449 2.201 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001483796096 1079125592 /nfs/dbraw/zinc/12/55/92/1079125592.db2.gz BJOBDWDZZMUNAM-HOTGVXAUSA-N 0 3 306.450 2.091 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cnc(CC(C)C)s1 ZINC001649458926 1079128403 /nfs/dbraw/zinc/12/84/03/1079128403.db2.gz PJUXNGYZYFYJLT-UHFFFAOYSA-N 0 3 307.463 2.369 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001483818119 1079131870 /nfs/dbraw/zinc/13/18/70/1079131870.db2.gz ICNJBWUYLMMWEM-PXNMLYILSA-N 0 3 306.450 2.305 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(CCOC)CCC3)C2)C1 ZINC001483832367 1079142227 /nfs/dbraw/zinc/14/22/27/1079142227.db2.gz HQGSABQBQLTTMN-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@H]1CCCN1CCOC)c1ccccc1 ZINC001481072226 1079150139 /nfs/dbraw/zinc/15/01/39/1079150139.db2.gz SSWKYKXCXSMBDQ-DLBZAZTESA-N 0 3 302.418 2.183 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001481108336 1079192926 /nfs/dbraw/zinc/19/29/26/1079192926.db2.gz UVLLSRYGJYTRIJ-OAHLLOKOSA-N 0 3 304.438 2.023 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCc1cncn1C ZINC001483944081 1079200865 /nfs/dbraw/zinc/20/08/65/1079200865.db2.gz OEXSJFJUKVVPBN-CABCVRRESA-N 0 3 304.438 2.103 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN1CCN(CCCCC)CC1 ZINC001267609338 1079207768 /nfs/dbraw/zinc/20/77/68/1079207768.db2.gz WRSUAJUJUUZYAV-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001267613655 1079219862 /nfs/dbraw/zinc/21/98/62/1079219862.db2.gz ORHCAUFSPMYKAD-JKSUJKDBSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCCc2csc(C)n2)C1 ZINC001267613681 1079220130 /nfs/dbraw/zinc/22/01/30/1079220130.db2.gz PTMNXCMHWWXBGI-OAHLLOKOSA-N 0 3 319.474 2.378 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@@H](Cc3ccccc3)C1)C2 ZINC001646150439 1074349814 /nfs/dbraw/zinc/34/98/14/1074349814.db2.gz VLLNZTOHGBIOOV-SARBKMAYSA-N 0 3 323.440 2.217 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cnn(C2CCCC2)c1C ZINC001481151303 1079258450 /nfs/dbraw/zinc/25/84/50/1079258450.db2.gz BMJWQKNFQCCXDP-UHFFFAOYSA-N 0 3 316.449 2.382 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001484057301 1079277431 /nfs/dbraw/zinc/27/74/31/1079277431.db2.gz HYJZRKVGIMCXLN-PBHICJAKSA-N 0 3 303.406 2.006 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001484057305 1079278428 /nfs/dbraw/zinc/27/84/28/1079278428.db2.gz HYJZRKVGIMCXLN-YOEHRIQHSA-N 0 3 303.406 2.006 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001484068536 1079289738 /nfs/dbraw/zinc/28/97/38/1079289738.db2.gz CRLCQIPQOWWXPH-LPHOPBHVSA-N 0 3 314.429 2.366 20 30 DEEDHN Cc1ccc(CN(C)[C@@H](C)CNC(=O)CSCC#N)cc1F ZINC001329385259 1148889479 /nfs/dbraw/zinc/88/94/79/1148889479.db2.gz FWBQDVNEUZSJSB-ZDUSSCGKSA-N 0 3 323.437 2.327 20 30 DEEDHN CCO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001646917018 1074693038 /nfs/dbraw/zinc/69/30/38/1074693038.db2.gz AIGJFWLWISFVRW-IFUGULHKSA-N 0 3 324.327 2.368 20 30 DEEDHN COc1cc(CCC(=O)C(C#N)c2ncc(F)cc2F)on1 ZINC001646920780 1074694812 /nfs/dbraw/zinc/69/48/12/1074694812.db2.gz RRZPUSDFCORVOF-JTQLQIEISA-N 0 3 307.256 2.165 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1cscn1 ZINC001272680752 1079316786 /nfs/dbraw/zinc/31/67/86/1079316786.db2.gz SAOQKBHAUHHEAK-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)CC[C@H]2CCCO2)CC1 ZINC001647051179 1074773207 /nfs/dbraw/zinc/77/32/07/1074773207.db2.gz JZEDEHUZSQIREO-QGZVFWFLSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2snnc2CC)C1 ZINC001484164153 1079333207 /nfs/dbraw/zinc/33/32/07/1079333207.db2.gz ZEUHTYJZMCECIE-HNNXBMFYSA-N 0 3 308.451 2.118 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001484159589 1079334785 /nfs/dbraw/zinc/33/47/85/1079334785.db2.gz VXHMEWIDMVBKTG-KBXCAEBGSA-N 0 3 316.449 2.234 20 30 DEEDHN Cn1c([C@H]2CCCN(C)C2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001647689692 1074970760 /nfs/dbraw/zinc/97/07/60/1074970760.db2.gz NLDAFUDYRZFZDZ-HNNXBMFYSA-N 0 3 322.416 2.016 20 30 DEEDHN C=CCSc1ccccc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001647772866 1074981309 /nfs/dbraw/zinc/98/13/09/1074981309.db2.gz HSSTWFAOGPMDJQ-CYBMUJFWSA-N 0 3 318.442 2.168 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H]2CN3CCC2CC3)cc1 ZINC001648310457 1074993052 /nfs/dbraw/zinc/99/30/52/1074993052.db2.gz SEJHAHFTGGKFHF-DKRLNXSXSA-N 0 3 312.413 2.192 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCn2cccc2)C1 ZINC001484176673 1079347297 /nfs/dbraw/zinc/34/72/97/1079347297.db2.gz YAMFKSUAFIJYBH-GOSISDBHSA-N 0 3 301.434 2.120 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)cc2cn[nH]c21 ZINC001556466048 1075032554 /nfs/dbraw/zinc/03/25/54/1075032554.db2.gz HOHXIFWANZAHFP-UHFFFAOYSA-N 0 3 300.406 2.451 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001556466048 1075032556 /nfs/dbraw/zinc/03/25/56/1075032556.db2.gz HOHXIFWANZAHFP-UHFFFAOYSA-N 0 3 300.406 2.451 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@H](NCc2conc2CC)C1 ZINC001565870192 1075059117 /nfs/dbraw/zinc/05/91/17/1075059117.db2.gz MOIJMPVTFWCDIR-KOMQPUFPSA-N 0 3 317.433 2.415 20 30 DEEDHN C=CCC[C@@H](C)N1CC(NC(=O)CCCn2ccnc2C)C1 ZINC001267661468 1079352721 /nfs/dbraw/zinc/35/27/21/1079352721.db2.gz BBLLHFMNWBRGJL-CQSZACIVSA-N 0 3 304.438 2.127 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1ccc(OC)cc1 ZINC001565832819 1075193383 /nfs/dbraw/zinc/19/33/83/1075193383.db2.gz GZEDQDNUYOPTNT-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)[C@H]1C ZINC001566117091 1075230552 /nfs/dbraw/zinc/23/05/52/1075230552.db2.gz HEMSDTQTIWGLIG-PVAVHDDUSA-N 0 3 323.481 2.082 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001566127604 1075233820 /nfs/dbraw/zinc/23/38/20/1075233820.db2.gz CSHUMIPQZAJODH-OAHLLOKOSA-N 0 3 318.417 2.150 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001566130514 1075235008 /nfs/dbraw/zinc/23/50/08/1075235008.db2.gz YHOOLXGWRNTDOP-KRWDZBQOSA-N 0 3 318.461 2.047 20 30 DEEDHN C#CCCN1CC(CNC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001267696922 1079385483 /nfs/dbraw/zinc/38/54/83/1079385483.db2.gz BJFOFMDTHJOAPO-UHFFFAOYSA-N 0 3 302.393 2.175 20 30 DEEDHN COCC#CCN(CCCNC(=O)c1cccc(F)c1)C1CC1 ZINC001566579362 1075286899 /nfs/dbraw/zinc/28/68/99/1075286899.db2.gz XWQXAZMVPHXZBD-UHFFFAOYSA-N 0 3 318.392 2.060 20 30 DEEDHN C#CCCN1CCN(CCCNC(=O)CC2=CCCCC2)CC1 ZINC001566638115 1075303145 /nfs/dbraw/zinc/30/31/45/1075303145.db2.gz UYOHMNVBCMNHQL-UHFFFAOYSA-N 0 3 317.477 2.024 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)n1C ZINC001566754374 1075336353 /nfs/dbraw/zinc/33/63/53/1075336353.db2.gz GUWFRSQJUNFDKO-CWRNSKLLSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001566799039 1075347670 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N#Cc1cc(Cl)ccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001650083240 1079402067 /nfs/dbraw/zinc/40/20/67/1079402067.db2.gz NAHODKRXHRWCBU-HOTGVXAUSA-N 0 3 305.809 2.247 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001567060450 1075425697 /nfs/dbraw/zinc/42/56/97/1075425697.db2.gz JFFUQIXDKDRCDP-OAHLLOKOSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(CC)n1 ZINC001267715556 1079403743 /nfs/dbraw/zinc/40/37/43/1079403743.db2.gz ARXSPAAJPJLOLQ-GJZGRUSLSA-N 0 3 319.474 2.499 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cccc(F)c2OCC)C1 ZINC001567105629 1075432504 /nfs/dbraw/zinc/43/25/04/1075432504.db2.gz HECSPSBTIQPYIW-ZDUSSCGKSA-N 0 3 304.365 2.052 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001267768524 1079472923 /nfs/dbraw/zinc/47/29/23/1079472923.db2.gz OVNMVDVUCGXBSB-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N(CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001581112388 1076042388 /nfs/dbraw/zinc/04/23/88/1076042388.db2.gz 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/nfs/dbraw/zinc/50/65/08/1076506508.db2.gz KBUSGAOBHZTDSD-UHFFFAOYSA-N 0 3 314.393 2.007 20 30 DEEDHN CC(C)[N@@H+](CCOCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589692477 1076506512 /nfs/dbraw/zinc/50/65/12/1076506512.db2.gz KBUSGAOBHZTDSD-UHFFFAOYSA-N 0 3 314.393 2.007 20 30 DEEDHN CC(C)[N@H+](CCOCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589692477 1076506519 /nfs/dbraw/zinc/50/65/19/1076506519.db2.gz KBUSGAOBHZTDSD-UHFFFAOYSA-N 0 3 314.393 2.007 20 30 DEEDHN CC(C)[N@@H+](CCOCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589692477 1076506524 /nfs/dbraw/zinc/50/65/24/1076506524.db2.gz KBUSGAOBHZTDSD-UHFFFAOYSA-N 0 3 314.393 2.007 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001329459349 1148897503 /nfs/dbraw/zinc/89/75/03/1148897503.db2.gz JHILUUXONRBANU-DOTOQJQBSA-N 0 3 301.434 2.278 20 30 DEEDHN CSc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001591710858 1076776831 /nfs/dbraw/zinc/77/68/31/1076776831.db2.gz DZLJEJXWDBNURM-JQWIXIFHSA-N 0 3 314.418 2.370 20 30 DEEDHN CSc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001591710858 1076776836 /nfs/dbraw/zinc/77/68/36/1076776836.db2.gz DZLJEJXWDBNURM-JQWIXIFHSA-N 0 3 314.418 2.370 20 30 DEEDHN CSc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001591710860 1076777631 /nfs/dbraw/zinc/77/76/31/1076777631.db2.gz DZLJEJXWDBNURM-PWSUYJOCSA-N 0 3 314.418 2.370 20 30 DEEDHN CSc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001591710860 1076777636 /nfs/dbraw/zinc/77/76/36/1076777636.db2.gz DZLJEJXWDBNURM-PWSUYJOCSA-N 0 3 314.418 2.370 20 30 DEEDHN N#Cc1ccc([C@@H](C(=O)[O-])N2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001601095214 1077337318 /nfs/dbraw/zinc/33/73/18/1077337318.db2.gz KNKCRNBYNLYWNC-FUHWJXTLSA-N 0 3 313.401 2.150 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001484320668 1079537037 /nfs/dbraw/zinc/53/70/37/1079537037.db2.gz QRVOBXABKWQSDN-BBWFWOEESA-N 0 3 318.461 2.208 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](OC)[C@@H](C)CC)cc1 ZINC001267938449 1079619536 /nfs/dbraw/zinc/61/95/36/1079619536.db2.gz WSRCFSQBAFPACU-YJBOKZPZSA-N 0 3 316.445 2.477 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccnc2OC)C1 ZINC001484537475 1079650388 /nfs/dbraw/zinc/65/03/88/1079650388.db2.gz ZLBUYWJRDPJWEH-CYBMUJFWSA-N 0 3 323.824 2.285 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCOC2)cc1 ZINC001484559748 1079660077 /nfs/dbraw/zinc/66/00/77/1079660077.db2.gz KOHIDZNRPHUVLY-DOTOQJQBSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)n2cccn2)cc1 ZINC001484560655 1079660904 /nfs/dbraw/zinc/66/09/04/1079660904.db2.gz RBCBGFUKJHSGAM-HOTGVXAUSA-N 0 3 324.428 2.434 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@]2(C)CCCOC2)cc1 ZINC001484563501 1079662318 /nfs/dbraw/zinc/66/23/18/1079662318.db2.gz PBNLSEQOWKUBDP-HNAYVOBHSA-N 0 3 314.429 2.403 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2(NC/C=C\Cl)CCC2)nc1 ZINC001484660056 1079714268 /nfs/dbraw/zinc/71/42/68/1079714268.db2.gz VMVIVPIIXDWSFS-WTKPLQERSA-N 0 3 303.793 2.058 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)CC2CCCCC2)CCO1 ZINC001484690039 1079723667 /nfs/dbraw/zinc/72/36/67/1079723667.db2.gz KUGRAEGODXGKTO-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001484710998 1079734837 /nfs/dbraw/zinc/73/48/37/1079734837.db2.gz XAFBYESTKOMUFV-JSGCOSHPSA-N 0 3 318.421 2.176 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@](C)(OC)c2ccccc2)CC1 ZINC001484723293 1079748021 /nfs/dbraw/zinc/74/80/21/1079748021.db2.gz GKSBELZGXVXILZ-MJGOQNOKSA-N 0 3 314.429 2.152 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)COc2ccccc2CC)CC1 ZINC001484727701 1079751704 /nfs/dbraw/zinc/75/17/04/1079751704.db2.gz UJOQPOHSNFLQAA-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)CC1CCOCC1)c1ccccc1 ZINC001481362400 1079757259 /nfs/dbraw/zinc/75/72/59/1079757259.db2.gz AJICIQCAQHPZSH-SFHVURJKSA-N 0 3 314.429 2.274 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCc2ccc(CC)cc2)CC1 ZINC001670772176 1079757320 /nfs/dbraw/zinc/75/73/20/1079757320.db2.gz PGHLIPVDYYITSA-SFHVURJKSA-N 0 3 316.445 2.315 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)OCC(C)C)C1 ZINC001481392418 1079776586 /nfs/dbraw/zinc/77/65/86/1079776586.db2.gz HUELKJWCGADZFD-IAGOWNOFSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC2(F)F)C1 ZINC001481396860 1079782592 /nfs/dbraw/zinc/78/25/92/1079782592.db2.gz MMNSMGWBMQWLDP-UONOGXRCSA-N 0 3 316.392 2.157 20 30 DEEDHN CCC1(NCc2csc(C)n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001484810517 1079804426 /nfs/dbraw/zinc/80/44/26/1079804426.db2.gz ZTGJPRLKHFXEPZ-GFCCVEGCSA-N 0 3 320.462 2.472 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(COC)CCCC1)C2 ZINC001484827078 1079809161 /nfs/dbraw/zinc/80/91/61/1079809161.db2.gz INADBRBNDBEOIL-GOSISDBHSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001484822296 1079815270 /nfs/dbraw/zinc/81/52/70/1079815270.db2.gz OGFIGDODBMZPLU-MJGOQNOKSA-N 0 3 316.445 2.265 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC001484881631 1079841345 /nfs/dbraw/zinc/84/13/45/1079841345.db2.gz CEHPIBFPYJUCDH-LRDDRELGSA-N 0 3 324.371 2.104 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H](OCC)C(C)C)C(C)(C)C1 ZINC001484934335 1079867040 /nfs/dbraw/zinc/86/70/40/1079867040.db2.gz IAPCVVWUNWZYLU-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN Cc1ncccc1CN1CC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001484931243 1079872481 /nfs/dbraw/zinc/87/24/81/1079872481.db2.gz GMBLIPZJGXTVEA-BBRMVZONSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)C2CC3(CC3)C2)CC1 ZINC001485009537 1079916812 /nfs/dbraw/zinc/91/68/12/1079916812.db2.gz UPRLGYNCBRTCNV-UHFFFAOYSA-N 0 3 319.493 2.267 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC001485046435 1079935633 /nfs/dbraw/zinc/93/56/33/1079935633.db2.gz DYLXLYQNJFBTHP-IRXDYDNUSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001485071973 1079956204 /nfs/dbraw/zinc/95/62/04/1079956204.db2.gz AQWZJWAOAKJFEB-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)/C(C)=C/C)C1 ZINC001485089132 1079967755 /nfs/dbraw/zinc/96/77/55/1079967755.db2.gz VYUBVKIMNFPSJQ-RUDMXATFSA-N 0 3 301.228 2.346 20 30 DEEDHN C#CCNC1(CNC(=O)c2cccc(-n3cccc3)c2)CCC1 ZINC001673185603 1079975938 /nfs/dbraw/zinc/97/59/38/1079975938.db2.gz MGIVDTBPDYHRLY-UHFFFAOYSA-N 0 3 307.397 2.353 20 30 DEEDHN C=CCCCN(CC)CC(=O)NC1(C(=O)OC)CCCCC1 ZINC001655014319 1079983803 /nfs/dbraw/zinc/98/38/03/1079983803.db2.gz HCMJLSBQYNQRMT-UHFFFAOYSA-N 0 3 310.438 2.267 20 30 DEEDHN C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C1CCCCCCC1 ZINC001268073728 1080018745 /nfs/dbraw/zinc/01/87/45/1080018745.db2.gz CROZRMUEOIPWRU-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])ccc1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001655812535 1080020173 /nfs/dbraw/zinc/02/01/73/1080020173.db2.gz ROJGXFWSIXIBJF-INIZCTEOSA-N 0 3 324.340 2.323 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C1(C2CCC2)CCC1 ZINC001268075945 1080022430 /nfs/dbraw/zinc/02/24/30/1080022430.db2.gz OGGFEUVMGUMSAQ-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)Cc1ccoc1 ZINC001485138988 1080024212 /nfs/dbraw/zinc/02/42/12/1080024212.db2.gz SFMSDWMSHUEKLY-VXGBXAGGSA-N 0 3 317.414 2.438 20 30 DEEDHN C#CCOc1ccccc1CNCCNc1ccc(C#N)cn1 ZINC001656019584 1080031651 /nfs/dbraw/zinc/03/16/51/1080031651.db2.gz XJMQYYUGKAKANQ-UHFFFAOYSA-N 0 3 306.369 2.167 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@H](C)CNCc1ccc(OC)nc1 ZINC001268081393 1080034136 /nfs/dbraw/zinc/03/41/36/1080034136.db2.gz ONZBTURGOKSESG-OAHLLOKOSA-N 0 3 317.433 2.220 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cccc(OC)n1 ZINC001485182359 1080042439 /nfs/dbraw/zinc/04/24/39/1080042439.db2.gz TXIZPCVYXCQNNI-LSDHHAIUSA-N 0 3 317.433 2.267 20 30 DEEDHN Cc1nc(C)c(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)[nH]1 ZINC001268086382 1080043608 /nfs/dbraw/zinc/04/36/08/1080043608.db2.gz LZLVPRCSAUTODK-AWEZNQCLSA-N 0 3 324.428 2.128 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001656102533 1080044843 /nfs/dbraw/zinc/04/48/43/1080044843.db2.gz LPLZDGHGRAJTCF-GJZGRUSLSA-N 0 3 319.453 2.189 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001656160906 1080057325 /nfs/dbraw/zinc/05/73/25/1080057325.db2.gz YAEFJKDRNNJMQS-BNOWGMLFSA-N 0 3 319.453 2.261 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001268097561 1080070360 /nfs/dbraw/zinc/07/03/60/1080070360.db2.gz GJPXTYUVFPEVGH-QQFBHYJXSA-N 0 3 308.466 2.145 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)COC)C2)CC1 ZINC001656399311 1080085369 /nfs/dbraw/zinc/08/53/69/1080085369.db2.gz YPXGIRSZBFPTKU-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCCC(=O)N(C)CC(C)(C)CNCc1ocnc1C ZINC001485250871 1080086652 /nfs/dbraw/zinc/08/66/52/1080086652.db2.gz CLXZYAKEPXYSKV-UHFFFAOYSA-N 0 3 305.422 2.361 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1cnon1 ZINC001656448232 1080092347 /nfs/dbraw/zinc/09/23/47/1080092347.db2.gz NFKAPFFISPMZSE-ZWNOBZJWSA-N 0 3 312.801 2.043 20 30 DEEDHN C=C(C)[C@H](CO)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001656469166 1080096800 /nfs/dbraw/zinc/09/68/00/1080096800.db2.gz DKYKCPAXJLEFCR-UUCFBXCCSA-N 0 3 310.438 2.445 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N(CC)CC ZINC001656522010 1080099639 /nfs/dbraw/zinc/09/96/39/1080099639.db2.gz KBJVOBJIRLVGBJ-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN COc1ccc(CN(C)[C@@H](C)CNC(=O)C#CC2CC2)cc1C ZINC001485304967 1080141111 /nfs/dbraw/zinc/14/11/11/1080141111.db2.gz YLRDECSIVDJKPU-HNNXBMFYSA-N 0 3 314.429 2.354 20 30 DEEDHN C#C[C@H](CO)N[C@H](C)Cc1ccc(F)cc1Br ZINC001659754418 1080249618 /nfs/dbraw/zinc/24/96/18/1080249618.db2.gz ZWXBDLTWGWVLHT-BXKDBHETSA-N 0 3 300.171 2.103 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001485520794 1080279289 /nfs/dbraw/zinc/27/92/89/1080279289.db2.gz SGTILCRHAIAZMH-HZPDHXFCSA-N 0 3 306.450 2.372 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(=O)NCCC)C(C)(C)C1 ZINC001485581380 1080312671 /nfs/dbraw/zinc/31/26/71/1080312671.db2.gz 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C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCc2ccccn2)C1 ZINC001661456047 1080483576 /nfs/dbraw/zinc/48/35/76/1080483576.db2.gz SULNERURTYSHOP-BQFCYCMXSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001661467924 1080484857 /nfs/dbraw/zinc/48/48/57/1080484857.db2.gz XXWAJPFVFFCGHD-RBSFLKMASA-N 0 3 302.422 2.439 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cnccc2OC)C1 ZINC001481768266 1080485369 /nfs/dbraw/zinc/48/53/69/1080485369.db2.gz MVMNPBBSPHRFDF-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001661572463 1080495511 /nfs/dbraw/zinc/49/55/11/1080495511.db2.gz AEGISHPZKJULHI-CBXUVWHLSA-N 0 3 301.228 2.488 20 30 DEEDHN CC[C@H](CNC(=O)CCCOC)NCC#Cc1ccc(F)cc1 ZINC001481791685 1080502483 /nfs/dbraw/zinc/50/24/83/1080502483.db2.gz GMNMTDHFZFROCT-QGZVFWFLSA-N 0 3 320.408 2.088 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001661640020 1080502539 /nfs/dbraw/zinc/50/25/39/1080502539.db2.gz 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/nfs/dbraw/zinc/53/77/07/1080537707.db2.gz XHTBFXLMVVPQIS-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001268467588 1080547024 /nfs/dbraw/zinc/54/70/24/1080547024.db2.gz IJRMMWRPNVFMHR-MSOLQXFVSA-N 0 3 320.477 2.291 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C=C(C)C ZINC001661971698 1080551036 /nfs/dbraw/zinc/55/10/36/1080551036.db2.gz CLFWRBCIGDHRQA-MSOLQXFVSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(COCC)CC1 ZINC001661976741 1080551884 /nfs/dbraw/zinc/55/18/84/1080551884.db2.gz GGUXHUWYTLJUAG-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001662283087 1080591335 /nfs/dbraw/zinc/59/13/35/1080591335.db2.gz OVMJEUBJCQROCE-IUODEOHRSA-N 0 3 304.821 2.487 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](C)OCc1ccccc1C ZINC001662292928 1080592603 /nfs/dbraw/zinc/59/26/03/1080592603.db2.gz LOMIQJOEYUCDNO-HZPDHXFCSA-N 0 3 302.418 2.018 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H](C)NCc1ncccc1C ZINC001662401071 1080605132 /nfs/dbraw/zinc/60/51/32/1080605132.db2.gz XYHARTCHLNUXHF-INIZCTEOSA-N 0 3 321.424 2.208 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC001127713644 1080624980 /nfs/dbraw/zinc/62/49/80/1080624980.db2.gz FVYGZANGKZJHDH-FHLIZLRMSA-N 0 3 309.413 2.366 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cnn(C)c2)CCCC[C@H]1C ZINC001481954466 1080645778 /nfs/dbraw/zinc/64/57/78/1080645778.db2.gz MJHHRUFEBKIMSA-MLGOLLRUSA-N 0 3 324.856 2.441 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001268501100 1080648863 /nfs/dbraw/zinc/64/88/63/1080648863.db2.gz XCWHETIZFATPPY-MRXNPFEDSA-N 0 3 316.445 2.335 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](CCNCc2ccc(F)cn2)C1 ZINC001481971901 1080660778 /nfs/dbraw/zinc/66/07/78/1080660778.db2.gz JIXYFPUBNLFVIW-UONOGXRCSA-N 0 3 318.396 2.099 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001662878907 1080672935 /nfs/dbraw/zinc/67/29/35/1080672935.db2.gz 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/nfs/dbraw/zinc/80/07/98/1080800798.db2.gz VKOHRRWLIYPBDT-UHFFFAOYSA-N 0 3 318.465 2.412 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(OC)c(OC)cc1C ZINC001663696483 1080804024 /nfs/dbraw/zinc/80/40/24/1080804024.db2.gz WWAGVESUKIFCSG-UHFFFAOYSA-N 0 3 318.417 2.087 20 30 DEEDHN C=CCN(CCNC(=O)[C@@](C)(OC)c1ccccc1)C1CC1 ZINC001663769858 1080814246 /nfs/dbraw/zinc/81/42/46/1080814246.db2.gz ZBHMBKPCHYOTMY-SFHVURJKSA-N 0 3 302.418 2.315 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](C)CNCc1oc(C)nc1C ZINC001482130865 1080829619 /nfs/dbraw/zinc/82/96/19/1080829619.db2.gz IQSBWTOWCGYQEQ-ZDUSSCGKSA-N 0 3 305.422 2.327 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)Cc1ccoc1 ZINC001663899448 1080835213 /nfs/dbraw/zinc/83/52/13/1080835213.db2.gz UJECPSFCDAHDCT-UHFFFAOYSA-N 0 3 303.387 2.003 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001664239810 1080881550 /nfs/dbraw/zinc/88/15/50/1080881550.db2.gz ABSCVGJPPUVTCQ-JKSUJKDBSA-N 0 3 315.392 2.291 20 30 DEEDHN CC(C)n1nccc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268647044 1080913606 /nfs/dbraw/zinc/91/36/06/1080913606.db2.gz RBARVPNERWDWRZ-MRXNPFEDSA-N 0 3 324.428 2.224 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](NC[C@@H](C)O)c1ccccc1 ZINC001664587730 1080929473 /nfs/dbraw/zinc/92/94/73/1080929473.db2.gz GISHRBBNIRWEDJ-WBVHZDCISA-N 0 3 302.418 2.008 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cc(OCC)n[nH]1)c1ccccc1 ZINC001664583859 1080929562 /nfs/dbraw/zinc/92/95/62/1080929562.db2.gz XFLZKWHYTIWWQC-OAHLLOKOSA-N 0 3 314.389 2.055 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001268812204 1081004139 /nfs/dbraw/zinc/00/41/39/1081004139.db2.gz SJEMZPMTFJJFCY-WFASDCNBSA-N 0 3 303.381 2.291 20 30 DEEDHN C#CCCN1CC(CNC(=O)COc2ccccc2C(C)C)C1 ZINC001665354894 1081018212 /nfs/dbraw/zinc/01/82/12/1081018212.db2.gz SNUJBCNFSDSBRN-UHFFFAOYSA-N 0 3 314.429 2.260 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C)cn1 ZINC001665375344 1081019298 /nfs/dbraw/zinc/01/92/98/1081019298.db2.gz QWFTYFOKTVMKPE-IRXDYDNUSA-N 0 3 316.449 2.223 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cnn(C)c1 ZINC001665405488 1081025693 /nfs/dbraw/zinc/02/56/93/1081025693.db2.gz ICKGNAKXCFMCSL-XIRDDKMYSA-N 0 3 316.449 2.165 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCOCC(F)(F)F)C1 ZINC001665646697 1081055867 /nfs/dbraw/zinc/05/58/67/1081055867.db2.gz CMTYZNVOZRGGKU-LBPRGKRZSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@H](C)n2cccc2)C1 ZINC001665710192 1081067264 /nfs/dbraw/zinc/06/72/64/1081067264.db2.gz XEXKNUJWHJASDU-IRXDYDNUSA-N 0 3 319.449 2.175 20 30 DEEDHN CCc1ccccc1CN1CC[C@H](NC(=O)CSCC#N)C1 ZINC001269000041 1081081570 /nfs/dbraw/zinc/08/15/70/1081081570.db2.gz DWTDIYWDLVNGJO-INIZCTEOSA-N 0 3 317.458 2.196 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)N[C@H](C)c2n[nH]c(C)n2)CC1 ZINC001665839853 1081088948 /nfs/dbraw/zinc/08/89/48/1081088948.db2.gz SSUPVTLTFREKDV-IUODEOHRSA-N 0 3 319.453 2.405 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](OC)C(C)C)NCC#Cc1ccccc1 ZINC001665838276 1081089225 /nfs/dbraw/zinc/08/92/25/1081089225.db2.gz AJKJYZDJNFWRGT-ZWKOTPCHSA-N 0 3 316.445 2.194 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cnoc2CC)cc1 ZINC001666343998 1081146132 /nfs/dbraw/zinc/14/61/32/1081146132.db2.gz AIQLHOCZSSIHQJ-UHFFFAOYSA-N 0 3 311.385 2.280 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCC1CCN(C[C@H](F)CC)CC1 ZINC001666364210 1081147555 /nfs/dbraw/zinc/14/75/55/1081147555.db2.gz KHBULIRFTQZTOP-NVXWUHKLSA-N 0 3 314.445 2.280 20 30 DEEDHN C=CCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000710887577 1081161722 /nfs/dbraw/zinc/16/17/22/1081161722.db2.gz GPGRDUMMTPBEDW-GDBMZVCRSA-N 0 3 308.447 2.002 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001269247196 1081183398 /nfs/dbraw/zinc/18/33/98/1081183398.db2.gz HJXWKFRIFNCPNN-ZDUSSCGKSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(C)C)CC2 ZINC001666834786 1081184623 /nfs/dbraw/zinc/18/46/23/1081184623.db2.gz OGEHOJKSQPVLFE-IRXDYDNUSA-N 0 3 320.477 2.406 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001269261108 1081187306 /nfs/dbraw/zinc/18/73/06/1081187306.db2.gz NQWQSSWSGFOZHM-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN Cc1ocnc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666864718 1081187854 /nfs/dbraw/zinc/18/78/54/1081187854.db2.gz HLZIMKQKKBOQHI-AWEZNQCLSA-N 0 3 311.385 2.085 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1(C)CCCCC1 ZINC001666982429 1081200082 /nfs/dbraw/zinc/20/00/82/1081200082.db2.gz IEMYYEOCFWGMQT-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001269292343 1081200939 /nfs/dbraw/zinc/20/09/39/1081200939.db2.gz PQLSNIAOLMFVQZ-VQHPVUNQSA-N 0 3 306.450 2.491 20 30 DEEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)C(F)F ZINC001667069190 1081207892 /nfs/dbraw/zinc/20/78/92/1081207892.db2.gz FIYPMWZYVGTGOV-HNNXBMFYSA-N 0 3 308.372 2.424 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCn2ccnc2C)C1 ZINC001269350100 1081223620 /nfs/dbraw/zinc/22/36/20/1081223620.db2.gz YFGJCQNXZJAFRP-MRXNPFEDSA-N 0 3 304.438 2.081 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2c(C)noc2C)C1 ZINC001269356374 1081226093 /nfs/dbraw/zinc/22/60/93/1081226093.db2.gz PSOCATISQYHIDQ-HNNXBMFYSA-N 0 3 305.422 2.333 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2c(C)noc2C)C1 ZINC001269355979 1081226435 /nfs/dbraw/zinc/22/64/35/1081226435.db2.gz LKAGDFQTOFOIPN-OAHLLOKOSA-N 0 3 305.422 2.333 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CCNCC(=C)Cl ZINC001667238310 1081229353 /nfs/dbraw/zinc/22/93/53/1081229353.db2.gz KEURCAAGIVDDCI-CQSZACIVSA-N 0 3 300.830 2.302 20 30 DEEDHN C=CCCC(=O)NC[C@H](CC)N[C@H](C)C(=O)N1CCC(C)CC1 ZINC001269377361 1081232673 /nfs/dbraw/zinc/23/26/73/1081232673.db2.gz DUQJWMOHTUXTHD-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@H](CNC(=O)c1ccnn1CC)NCC#Cc1ccccc1 ZINC001269399296 1081238602 /nfs/dbraw/zinc/23/86/02/1081238602.db2.gz ZQCCHXLCJZBKOX-QGZVFWFLSA-N 0 3 324.428 2.053 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001269466973 1081256254 /nfs/dbraw/zinc/25/62/54/1081256254.db2.gz 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/nfs/dbraw/zinc/27/21/62/1081272162.db2.gz SWISGURJHYHTED-UHFFFAOYSA-N 0 3 317.433 2.450 20 30 DEEDHN Cc1ncoc1CN1CC[C@H]2CN(C(=O)C#CC(C)C)CC[C@H]21 ZINC001667686532 1081273499 /nfs/dbraw/zinc/27/34/99/1081273499.db2.gz GHLKYTBASJTRDL-JKSUJKDBSA-N 0 3 315.417 2.065 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000950493354 1081353833 /nfs/dbraw/zinc/35/38/33/1081353833.db2.gz UBLUNZRTKCUWSJ-UHFFFAOYSA-N 0 3 316.327 2.151 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@@H](F)C(C)C ZINC001668525192 1081363708 /nfs/dbraw/zinc/36/37/08/1081363708.db2.gz UDLLAXADXITIRH-INIZCTEOSA-N 0 3 305.397 2.490 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H](C)c1ccccc1F ZINC001668586801 1081370798 /nfs/dbraw/zinc/37/07/98/1081370798.db2.gz PIJMUAAAKLEOEK-HNNXBMFYSA-N 0 3 320.408 2.017 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCOc1c(C)cccc1C ZINC001668853640 1081404693 /nfs/dbraw/zinc/40/46/93/1081404693.db2.gz JNVNRUNSIOMZKZ-VOTSOKGWSA-N 0 3 314.429 2.358 20 30 DEEDHN Cc1nocc1CN[C@H]1CC[C@H](NC(=O)C#CC(C)C)CC1 ZINC001269986242 1081418933 /nfs/dbraw/zinc/41/89/33/1081418933.db2.gz XDINJQFDWSZNRG-WKILWMFISA-N 0 3 303.406 2.159 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CNCc1cncs1 ZINC001270013930 1081427637 /nfs/dbraw/zinc/42/76/37/1081427637.db2.gz DGYRWZGJIGRVLI-KBPBESRZSA-N 0 3 323.462 2.205 20 30 DEEDHN COCC#CCNCc1ccc(CNC(=O)C2(C)CCC2)cc1 ZINC001270070651 1081443439 /nfs/dbraw/zinc/44/34/39/1081443439.db2.gz BHIHEGVWUILNIE-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccccc1C(C)C ZINC001669307431 1081445177 /nfs/dbraw/zinc/44/51/77/1081445177.db2.gz BBPBCDGTZPRMMV-OAHLLOKOSA-N 0 3 302.418 2.168 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001669783343 1081468589 /nfs/dbraw/zinc/46/85/89/1081468589.db2.gz TUYGVYAQWPCGQG-ZDUSSCGKSA-N 0 3 310.825 2.479 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001669782683 1081468741 /nfs/dbraw/zinc/46/87/41/1081468741.db2.gz IFISRZVRPROPEU-CQSZACIVSA-N 0 3 308.397 2.273 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001669782682 1081468807 /nfs/dbraw/zinc/46/88/07/1081468807.db2.gz IFISRZVRPROPEU-AWEZNQCLSA-N 0 3 308.397 2.273 20 30 DEEDHN Cc1nc(CCN(C)C[C@H](C)NC(=O)C#CC(C)(C)C)cs1 ZINC001669812076 1081471585 /nfs/dbraw/zinc/47/15/85/1081471585.db2.gz VEDHUNXQNYGJFD-ZDUSSCGKSA-N 0 3 321.490 2.480 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC000951108159 1081475453 /nfs/dbraw/zinc/47/54/53/1081475453.db2.gz SVDOIXXFFDSHKR-UHFFFAOYSA-N 0 3 304.438 2.475 20 30 DEEDHN C#CCN(C(=O)Cc1cncc(C)c1)C1CCN(CC=C)CC1 ZINC001270331561 1081503640 /nfs/dbraw/zinc/50/36/40/1081503640.db2.gz IPZUAMFWEFTIFM-UHFFFAOYSA-N 0 3 311.429 2.045 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1COc2ccccc2O1 ZINC001670331080 1081511040 /nfs/dbraw/zinc/51/10/40/1081511040.db2.gz XSFKOPNDSNFWGL-HNNXBMFYSA-N 0 3 324.808 2.017 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001270401793 1081518956 /nfs/dbraw/zinc/51/89/56/1081518956.db2.gz ISBHXCZLAWEHGY-CYBMUJFWSA-N 0 3 308.372 2.466 20 30 DEEDHN C#CCN(C(=O)C1CCCCCCC1)C1CCN(CCO)CC1 ZINC001671484637 1081519226 /nfs/dbraw/zinc/51/92/26/1081519226.db2.gz IRATYYAYGADPMI-UHFFFAOYSA-N 0 3 320.477 2.265 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001671660560 1081530261 /nfs/dbraw/zinc/53/02/61/1081530261.db2.gz UQCPZTUQOLEYRQ-DOTOQJQBSA-N 0 3 304.438 2.299 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(C)CCN([C@H](CC)C(N)=O)CC1 ZINC001671848827 1081543042 /nfs/dbraw/zinc/54/30/42/1081543042.db2.gz BSQWCCWOSJIFIA-LSDHHAIUSA-N 0 3 323.481 2.071 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CCc2csc(C)n2)CC1 ZINC001671858285 1081543686 /nfs/dbraw/zinc/54/36/86/1081543686.db2.gz MVBWSQVPDZIWLK-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001671917131 1081550418 /nfs/dbraw/zinc/55/04/18/1081550418.db2.gz VWRIRECRIJWQSD-GOSISDBHSA-N 0 3 316.449 2.237 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001671962566 1081553172 /nfs/dbraw/zinc/55/31/72/1081553172.db2.gz INPVCOLHVCFXLA-KGLIPLIRSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C(C)(C)c2ccccc2)C1 ZINC001672039220 1081558234 /nfs/dbraw/zinc/55/82/34/1081558234.db2.gz BIEKMPAFBIHAKL-IBGZPJMESA-N 0 3 316.445 2.093 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)Cc2sc(C)cc2C)C1 ZINC001672039897 1081558895 /nfs/dbraw/zinc/55/88/95/1081558895.db2.gz LOLTVSRMMZBUOR-KRWDZBQOSA-N 0 3 322.474 2.037 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001270616203 1081564535 /nfs/dbraw/zinc/56/45/35/1081564535.db2.gz SZGWXXDZSFGZDU-SJCJKPOMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001270616203 1081564539 /nfs/dbraw/zinc/56/45/39/1081564539.db2.gz SZGWXXDZSFGZDU-SJCJKPOMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NCc2nnc(C)[nH]2)C1 ZINC001672228233 1081569834 /nfs/dbraw/zinc/56/98/34/1081569834.db2.gz NVVHSBQZNLURLC-OCCSQVGLSA-N 0 3 319.453 2.042 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001672266656 1081575319 /nfs/dbraw/zinc/57/53/19/1081575319.db2.gz IEJJQTOAWADLKF-GDEAUMNMSA-N 0 3 321.248 2.192 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001626751097 1081582774 /nfs/dbraw/zinc/58/27/74/1081582774.db2.gz SOBJFJDHMPGLOC-UHFFFAOYSA-N 0 3 321.377 2.183 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@](C)(CNCc2cnns2)C1 ZINC001270726718 1081616286 /nfs/dbraw/zinc/61/62/86/1081616286.db2.gz KISJWLMHYRIAMZ-MRXNPFEDSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CCNCc2oc(C)nc2C)C1 ZINC001672777171 1081624957 /nfs/dbraw/zinc/62/49/57/1081624957.db2.gz CWBPEFPHJNNJLT-MRXNPFEDSA-N 0 3 317.433 2.423 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](OCC)C2CC2)C1 ZINC001672795569 1081627462 /nfs/dbraw/zinc/62/74/62/1081627462.db2.gz DYBJGFPRGLUXSZ-UKRRQHHQSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC001672834080 1081710723 /nfs/dbraw/zinc/71/07/23/1081710723.db2.gz IEEBPASPXBPUSP-UKRRQHHQSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNCc2nccn2C)C1 ZINC001672857596 1081713098 /nfs/dbraw/zinc/71/30/98/1081713098.db2.gz CDENXYYWYDUBFM-MAUKXSAKSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1[nH]nnc1C ZINC001672929835 1081723640 /nfs/dbraw/zinc/72/36/40/1081723640.db2.gz SFCQQKONURRCEU-UHFFFAOYSA-N 0 3 313.405 2.051 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CCn1cccc1 ZINC001482346442 1081745505 /nfs/dbraw/zinc/74/55/05/1081745505.db2.gz AZKVSGSUIKVBGR-GOSISDBHSA-N 0 3 323.440 2.366 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001673252861 1081750027 /nfs/dbraw/zinc/75/00/27/1081750027.db2.gz NPUNZNBHQYJMIL-LSDHHAIUSA-N 0 3 318.417 2.178 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC001482360849 1081760250 /nfs/dbraw/zinc/76/02/50/1081760250.db2.gz SEHPTANSOSSFEM-AWEZNQCLSA-N 0 3 314.385 2.133 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN([C@@H](CCCC)C(N)=O)CC1 ZINC001673379879 1081764399 /nfs/dbraw/zinc/76/43/99/1081764399.db2.gz DGCOIXHAGLOLEW-HOTGVXAUSA-N 0 3 323.481 2.358 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001673462873 1081773635 /nfs/dbraw/zinc/77/36/35/1081773635.db2.gz VCMSTAXREIFQDY-UHFFFAOYSA-N 0 3 308.372 2.311 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)OCc1ccccc1 ZINC001673475315 1081773878 /nfs/dbraw/zinc/77/38/78/1081773878.db2.gz XNMGSFMZXIPXHU-QGZVFWFLSA-N 0 3 316.445 2.395 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(OCC)c(OC)c1 ZINC001673486237 1081774464 /nfs/dbraw/zinc/77/44/64/1081774464.db2.gz CAIHDAVZLPONQF-UHFFFAOYSA-N 0 3 318.417 2.121 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC001482376834 1081774978 /nfs/dbraw/zinc/77/49/78/1081774978.db2.gz VENWVINWZHZIQO-QGZVFWFLSA-N 0 3 316.445 2.379 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001673645980 1081788875 /nfs/dbraw/zinc/78/88/75/1081788875.db2.gz QWTHKUNYWSHZOB-IBGZPJMESA-N 0 3 318.461 2.307 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(C)(NCc2cn(CC)nn2)CC1 ZINC001673958940 1081818700 /nfs/dbraw/zinc/81/87/00/1081818700.db2.gz MJFAMBCESSXNDL-UHFFFAOYSA-N 0 3 319.453 2.125 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@H](C)C1 ZINC001482435101 1081825655 /nfs/dbraw/zinc/82/56/55/1081825655.db2.gz PNAATOGGKPDHON-GDBMZVCRSA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CCc2c(C)noc2C)CC1 ZINC001270926660 1081840880 /nfs/dbraw/zinc/84/08/80/1081840880.db2.gz YXEMBINBQGDXHF-UHFFFAOYSA-N 0 3 317.433 2.076 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COCc2ccc(C)cc2)C[C@@H]1C ZINC001674133928 1081841665 /nfs/dbraw/zinc/84/16/65/1081841665.db2.gz IMGBFAQGGUNWMA-FUHWJXTLSA-N 0 3 314.429 2.114 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001674283621 1081856509 /nfs/dbraw/zinc/85/65/09/1081856509.db2.gz DGEODXOUSLKGDN-DLBZAZTESA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(COCC)CC1 ZINC001674425354 1081868336 /nfs/dbraw/zinc/86/83/36/1081868336.db2.gz YUYIAKNSRDVWLW-IAGOWNOFSA-N 0 3 314.429 2.361 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccn2CC)C1 ZINC001271006828 1081872630 /nfs/dbraw/zinc/87/26/30/1081872630.db2.gz BYPYVIHVHBYLQS-SFHVURJKSA-N 0 3 301.434 2.363 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CN(C[C@@H](C)O)CCC1(F)F ZINC001271091793 1081904723 /nfs/dbraw/zinc/90/47/23/1081904723.db2.gz CNGUUHFOROFLTJ-OLZOCXBDSA-N 0 3 318.408 2.043 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCOc2ccccc2F)C1 ZINC001266248618 1081915298 /nfs/dbraw/zinc/91/52/98/1081915298.db2.gz PNDVMWGIVFAJCC-HNNXBMFYSA-N 0 3 318.392 2.199 20 30 DEEDHN CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001482465656 1081932983 /nfs/dbraw/zinc/93/29/83/1081932983.db2.gz IURDOAKICCRLJE-GJZGRUSLSA-N 0 3 300.402 2.246 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001266290561 1081945741 /nfs/dbraw/zinc/94/57/41/1081945741.db2.gz DLALBXRHGLLXDX-IAGOWNOFSA-N 0 3 302.418 2.041 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC001266321398 1081970632 /nfs/dbraw/zinc/97/06/32/1081970632.db2.gz PZBGXGLAADBVLR-AWEZNQCLSA-N 0 3 306.381 2.280 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1cnn(C)c1 ZINC001282456325 1081977993 /nfs/dbraw/zinc/97/79/93/1081977993.db2.gz ZFRQRUQBGWFCSB-RHSMWYFYSA-N 0 3 306.454 2.001 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1 ZINC001271181281 1081979924 /nfs/dbraw/zinc/97/99/24/1081979924.db2.gz JFNDDNULJCHXFR-CYBMUJFWSA-N 0 3 308.809 2.040 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccc(COC(C)C)cc1 ZINC001266358688 1081997190 /nfs/dbraw/zinc/99/71/90/1081997190.db2.gz XTOGUZFMLLJYAF-UHFFFAOYSA-N 0 3 302.418 2.297 20 30 DEEDHN Cc1ncccc1CN1CCC2(C[C@@H]2NC(=O)C#CC2CC2)CC1 ZINC001266370731 1082005033 /nfs/dbraw/zinc/00/50/33/1082005033.db2.gz KEQQTUWTFOLJJY-SFHVURJKSA-N 0 3 323.440 2.274 20 30 DEEDHN O=C(Cc1ccc[nH]1)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001266444623 1082041136 /nfs/dbraw/zinc/04/11/36/1082041136.db2.gz AXJPVXJCFKZBAN-LJQANCHMSA-N 0 3 321.424 2.093 20 30 DEEDHN C=CCCCCCN1CCC[C@H]1CNC(=O)c1cnns1 ZINC001266447147 1082041770 /nfs/dbraw/zinc/04/17/70/1082041770.db2.gz PGDHRIUMBROGDY-ZDUSSCGKSA-N 0 3 308.451 2.479 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001266468032 1082056508 /nfs/dbraw/zinc/05/65/08/1082056508.db2.gz IGIMGFMDTPQJBY-KRWDZBQOSA-N 0 3 314.429 2.321 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC001649251003 1082059955 /nfs/dbraw/zinc/05/99/55/1082059955.db2.gz XASXURNGGDICHU-FRRDWIJNSA-N 0 3 303.362 2.059 20 30 DEEDHN Cc1cnc(CN[C@@H](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001271489875 1082061509 /nfs/dbraw/zinc/06/15/09/1082061509.db2.gz BYOQUULDBRVVPQ-LSDHHAIUSA-N 0 3 319.474 2.438 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN2CCOC2CCC2)C1 ZINC001266483423 1082066534 /nfs/dbraw/zinc/06/65/34/1082066534.db2.gz WDDOKEORBQFKHY-HNNXBMFYSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)NCc2nccn2C)C1 ZINC001271636966 1082098451 /nfs/dbraw/zinc/09/84/51/1082098451.db2.gz WQTXZNVFZMUJFN-JKSUJKDBSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCCOc2cccc(F)c2)C1 ZINC001266549443 1082144698 /nfs/dbraw/zinc/14/46/98/1082144698.db2.gz VTSYHTYLCIHQBW-OAHLLOKOSA-N 0 3 318.392 2.056 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001266567180 1082163966 /nfs/dbraw/zinc/16/39/66/1082163966.db2.gz YASLMLRAOYPLNW-UHFFFAOYSA-N 0 3 301.434 2.472 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)c1ccncc1F ZINC001493509540 1082178513 /nfs/dbraw/zinc/17/85/13/1082178513.db2.gz VUGDDJQXXRJEJM-UHFFFAOYSA-N 0 3 318.377 2.016 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC=C)c3ccccc3)C[C@@H]2C1 ZINC001271898238 1082185596 /nfs/dbraw/zinc/18/55/96/1082185596.db2.gz BLEMVEUICXWOAX-CEXWTWQISA-N 0 3 308.425 2.370 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1CCc2cc(C)ccc2O1)C1CC1 ZINC001266602300 1082189541 /nfs/dbraw/zinc/18/95/41/1082189541.db2.gz AOEWJVQRZMWFSP-SFHVURJKSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCN(CCNC(=O)c1ocnc1C(F)(F)F)C1CC1 ZINC001266604466 1082191123 /nfs/dbraw/zinc/19/11/23/1082191123.db2.gz GESUHIVKEHAWSJ-UHFFFAOYSA-N 0 3 303.284 2.074 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2cccc(F)c2C)C1 ZINC001271965072 1082210300 /nfs/dbraw/zinc/21/03/00/1082210300.db2.gz IIBRQBRAVVBLKG-SFHVURJKSA-N 0 3 320.408 2.267 20 30 DEEDHN C=CCCCN1CCC[C@](CO)(NC(=O)c2occc2C)C1 ZINC001279461902 1082217841 /nfs/dbraw/zinc/21/78/41/1082217841.db2.gz MXRXHZBQSSAZFE-KRWDZBQOSA-N 0 3 306.406 2.111 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)/C=C\c1ccc[nH]1 ZINC001266684154 1082282328 /nfs/dbraw/zinc/28/23/28/1082282328.db2.gz HSJMRHQZDZSNKK-DAXSKMNVSA-N 0 3 314.414 2.209 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001272060748 1082369327 /nfs/dbraw/zinc/36/93/27/1082369327.db2.gz KYXWKSDRFIVWCZ-HNNXBMFYSA-N 0 3 308.809 2.220 20 30 DEEDHN CO[C@H](CC(C)C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001266830335 1082377223 /nfs/dbraw/zinc/37/72/23/1082377223.db2.gz WOOJFFZGPUOGTR-QGZVFWFLSA-N 0 3 317.433 2.167 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@H](C)CCc1ccccc1F ZINC001266833935 1082380053 /nfs/dbraw/zinc/38/00/53/1082380053.db2.gz AVUDFLBHVHREDW-HNNXBMFYSA-N 0 3 304.409 2.466 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1CCCCN1C[C@H]1CCCCO1 ZINC001266842208 1082385264 /nfs/dbraw/zinc/38/52/64/1082385264.db2.gz JDCFWIUYBIOATR-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001266853896 1082397800 /nfs/dbraw/zinc/39/78/00/1082397800.db2.gz VZNWWVVNENFILC-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001266853896 1082397807 /nfs/dbraw/zinc/39/78/07/1082397807.db2.gz VZNWWVVNENFILC-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)c2coc(C)c2)C1 ZINC001266895354 1082436905 /nfs/dbraw/zinc/43/69/05/1082436905.db2.gz ZYFKFDQEALZTPY-HOTGVXAUSA-N 0 3 318.417 2.068 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001266927188 1082457436 /nfs/dbraw/zinc/45/74/36/1082457436.db2.gz HXGMGJSJDMQTLC-CYBMUJFWSA-N 0 3 302.374 2.230 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1nccs1 ZINC001482674402 1082460236 /nfs/dbraw/zinc/46/02/36/1082460236.db2.gz DSSQZUVSHAFHFL-KGLIPLIRSA-N 0 3 305.447 2.321 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N[C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001266968940 1082482683 /nfs/dbraw/zinc/48/26/83/1082482683.db2.gz XEKVLOOVYJJTEZ-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](O)CNCc1cc(C)ccc1F ZINC001482733602 1082496275 /nfs/dbraw/zinc/49/62/75/1082496275.db2.gz MISFGNWKOBMQTG-HNNXBMFYSA-N 0 3 308.397 2.057 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@@H]1C[C@@H]1C ZINC001482907948 1082550663 /nfs/dbraw/zinc/55/06/63/1082550663.db2.gz DQYYBLPPIRKDSV-SWLSCSKDSA-N 0 3 303.381 2.291 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1ccncc1 ZINC001482909230 1082552334 /nfs/dbraw/zinc/55/23/34/1082552334.db2.gz ZSIALKVCEKAELC-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001482924824 1082564306 /nfs/dbraw/zinc/56/43/06/1082564306.db2.gz KEAMNGHMADHXNB-JKSUJKDBSA-N 0 3 308.466 2.147 20 30 DEEDHN CC(C)C#CC(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001483006241 1082620254 /nfs/dbraw/zinc/62/02/54/1082620254.db2.gz POFOKLKXHXRUCH-ARJAWSKDSA-N 0 3 306.356 2.386 20 30 DEEDHN CC1(C(=O)NC/C=C\CNCc2ccc(C#N)c(F)c2)CC1 ZINC001483009334 1082621431 /nfs/dbraw/zinc/62/14/31/1082621431.db2.gz BAYXLJCHHNZDRD-IHWYPQMZSA-N 0 3 301.365 2.259 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001483115163 1082722064 /nfs/dbraw/zinc/72/20/64/1082722064.db2.gz ZVLSGAYYMAOJII-CYBMUJFWSA-N 0 3 310.825 2.445 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001483122098 1082732357 /nfs/dbraw/zinc/73/23/57/1082732357.db2.gz UANMOVQMIUMGAL-HUUCEWRRSA-N 0 3 320.408 2.087 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(C#N)s2)on1 ZINC001409277906 1082738972 /nfs/dbraw/zinc/73/89/72/1082738972.db2.gz FMSRMPFCTKYKKE-GHMZBOCLSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2cnccc2C)C1 ZINC001409302309 1082752617 /nfs/dbraw/zinc/75/26/17/1082752617.db2.gz TUONFBRSRVDORI-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)C(C)(C)C ZINC001483188147 1082796169 /nfs/dbraw/zinc/79/61/69/1082796169.db2.gz WLDSVYLVYACZAF-GFCCVEGCSA-N 0 3 303.406 2.207 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1cccc(F)c1 ZINC001409539362 1082942857 /nfs/dbraw/zinc/94/28/57/1082942857.db2.gz HIRJZMWBVWNWAA-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001483348830 1083120481 /nfs/dbraw/zinc/12/04/81/1083120481.db2.gz BCOOWBBVYBGPKS-BBRMVZONSA-N 0 3 302.418 2.348 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001276398066 1083376814 /nfs/dbraw/zinc/37/68/14/1083376814.db2.gz UUMGNRCNNONENW-OAHLLOKOSA-N 0 3 314.429 2.006 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cc(F)ccc2OC)C1 ZINC001276448741 1083442085 /nfs/dbraw/zinc/44/20/85/1083442085.db2.gz ZPKYYFGWUWLGCJ-ZDUSSCGKSA-N 0 3 320.408 2.389 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H](OCC)C(C)C)C(C)(C)C1 ZINC001276587121 1083502013 /nfs/dbraw/zinc/50/20/13/1083502013.db2.gz WTLHECUPQNRPSA-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](OCC)C(C)C)C(C)(C)C1 ZINC001276587122 1083502241 /nfs/dbraw/zinc/50/22/41/1083502241.db2.gz WTLHECUPQNRPSA-JKSUJKDBSA-N 0 3 308.466 2.288 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001276704998 1083559397 /nfs/dbraw/zinc/55/93/97/1083559397.db2.gz WNXHKTXBUYQKBS-IBGZPJMESA-N 0 3 321.424 2.473 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)c3cccc(Cl)c3)[C@@H]2C1 ZINC001276740581 1083581998 /nfs/dbraw/zinc/58/19/98/1083581998.db2.gz ZQRAPEJHTLGIHV-OSMBCOQSSA-N 0 3 316.832 2.371 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC001276853529 1083648403 /nfs/dbraw/zinc/64/84/03/1083648403.db2.gz NRZKMVGANRDWQB-NWDGAFQWSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107735311 1083649312 /nfs/dbraw/zinc/64/93/12/1083649312.db2.gz WIXCGIWSZKPEAU-PBHICJAKSA-N 0 3 305.422 2.190 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001276883484 1083662191 /nfs/dbraw/zinc/66/21/91/1083662191.db2.gz JCQDYMDXWYPNJL-INIZCTEOSA-N 0 3 310.401 2.400 20 30 DEEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3c2cccnc2)cc1C#N ZINC001276984856 1083718460 /nfs/dbraw/zinc/71/84/60/1083718460.db2.gz SJIHQKAIJQFNQT-ROUUACIJSA-N 0 3 307.401 2.145 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001276985604 1083720395 /nfs/dbraw/zinc/72/03/95/1083720395.db2.gz DZCLBTCGFRIXAT-UONOGXRCSA-N 0 3 316.392 2.205 20 30 DEEDHN CCc1ccc(CNC2(CNC(=O)CSCC#N)CC2)cc1 ZINC001277006387 1083729282 /nfs/dbraw/zinc/72/92/82/1083729282.db2.gz DVTZNOCQATYVDE-UHFFFAOYSA-N 0 3 317.458 2.244 20 30 DEEDHN N#CC1(NC(=O)[C@@H]2CC23CCN(Cc2ccc[nH]2)CC3)CCC1 ZINC001277030007 1083738375 /nfs/dbraw/zinc/73/83/75/1083738375.db2.gz LSWLEHSWIWASGR-HNNXBMFYSA-N 0 3 312.417 2.179 20 30 DEEDHN N#CC1(NC(=O)[C@H]2CC23CCN(Cc2ccncc2)CC3)CCC1 ZINC001277089773 1083768891 /nfs/dbraw/zinc/76/88/91/1083768891.db2.gz JGAQHGSXZUFFHS-MRXNPFEDSA-N 0 3 324.428 2.246 20 30 DEEDHN C#CCN1c2ccccc2[C@@]2(CCN(Cc3cncs3)C2)C1=O ZINC001272750773 1083778835 /nfs/dbraw/zinc/77/88/35/1083778835.db2.gz ACDDRYWLQMTQTE-SFHVURJKSA-N 0 3 323.421 2.267 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CC2(CC(O)C2)C1 ZINC001277150891 1083810256 /nfs/dbraw/zinc/81/02/56/1083810256.db2.gz AZOLIPINURYORL-BEFAXECRSA-N 0 3 318.461 2.181 20 30 DEEDHN CCC(CC)CN1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107926973 1083902212 /nfs/dbraw/zinc/90/22/12/1083902212.db2.gz QQUGKUZATLYNJA-GOSISDBHSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1c[nH]nc1C)CC2 ZINC001272754991 1083924604 /nfs/dbraw/zinc/92/46/04/1083924604.db2.gz PXDUSYAAGVRFAZ-HNNXBMFYSA-N 0 3 302.422 2.013 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3c[nH]nc3C)CC2)C1=O ZINC001272755050 1083925228 /nfs/dbraw/zinc/92/52/28/1083925228.db2.gz RHKZLZVQJGSKRT-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN C=CCc1cccc(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)c1[O-] ZINC001277464080 1083984929 /nfs/dbraw/zinc/98/49/29/1083984929.db2.gz UJXZVLSNRJNBQK-UHFFFAOYSA-N 0 3 300.402 2.221 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001490987245 1083989972 /nfs/dbraw/zinc/98/99/72/1083989972.db2.gz UBTFNZBYUVJPGP-PWZNUNQRSA-N 0 3 312.841 2.254 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2ccc(OC)cc2C)C1 ZINC001491107025 1084081293 /nfs/dbraw/zinc/08/12/93/1084081293.db2.gz CKSHLCAGSPWOHJ-INIZCTEOSA-N 0 3 314.429 2.008 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)COc2ccccc2CC)C1 ZINC001491127955 1084094846 /nfs/dbraw/zinc/09/48/46/1084094846.db2.gz GDNZYGOLPQRRBZ-MRXNPFEDSA-N 0 3 314.429 2.089 20 30 DEEDHN CCn1cc(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)cn1 ZINC001277781846 1084145616 /nfs/dbraw/zinc/14/56/16/1084145616.db2.gz NMNKYCMLSUGJTG-INIZCTEOSA-N 0 3 324.428 2.005 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cnccc1N ZINC001272808581 1084147165 /nfs/dbraw/zinc/14/71/65/1084147165.db2.gz MWCKZJSLUVVTSK-SFHVURJKSA-N 0 3 314.433 2.027 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2CCCC2)C1 ZINC001491278238 1084199726 /nfs/dbraw/zinc/19/97/26/1084199726.db2.gz CHIPXGQJDXMZEH-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@H](C)CCC=C ZINC001671015878 1084206294 /nfs/dbraw/zinc/20/62/94/1084206294.db2.gz YXYJTTLCXDZVKI-XDNAFOTISA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](OC)C1 ZINC001212406389 1084222944 /nfs/dbraw/zinc/22/29/44/1084222944.db2.gz QTXZNVBWHUWPLU-HZPDHXFCSA-N 0 3 324.371 2.360 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CC2)CC2(CCOCC2)C1 ZINC001089941348 1084255085 /nfs/dbraw/zinc/25/50/85/1084255085.db2.gz HCTUHAIOPJNNAA-HNNXBMFYSA-N 0 3 306.450 2.350 20 30 DEEDHN Cc1nc(C(C)C)oc1CN1CC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001493184407 1084267854 /nfs/dbraw/zinc/26/78/54/1084267854.db2.gz PKGDGXYMVXKAMX-TZMCWYRMSA-N 0 3 318.421 2.204 20 30 DEEDHN C[C@@H](CNC(=O)CC1CCOCC1)NCc1ccc(C#N)s1 ZINC001491418229 1084292293 /nfs/dbraw/zinc/29/22/93/1084292293.db2.gz JHIIKCFHJJEHEG-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001491425188 1084301229 /nfs/dbraw/zinc/30/12/29/1084301229.db2.gz WORJLQYPMANPHU-NSHDSACASA-N 0 3 314.364 2.242 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491437011 1084311444 /nfs/dbraw/zinc/31/14/44/1084311444.db2.gz GJEMDGOWMDTRCU-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235107575 1084313272 /nfs/dbraw/zinc/31/32/72/1084313272.db2.gz YLEGKWYNVZFHPV-HUUCEWRRSA-N 0 3 312.429 2.393 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001491455800 1084325122 /nfs/dbraw/zinc/32/51/22/1084325122.db2.gz UFYQBOANVVINSU-KGLIPLIRSA-N 0 3 322.836 2.281 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC2(CCOCC2)C1 ZINC001089949030 1084347692 /nfs/dbraw/zinc/34/76/92/1084347692.db2.gz BLYLSCZTMCTCPB-OWCLPIDISA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3cnccn3)CC2)C1=O ZINC001272835480 1084357023 /nfs/dbraw/zinc/35/70/23/1084357023.db2.gz CEYOLUSEZACKRY-GOSISDBHSA-N 0 3 314.433 2.257 20 30 DEEDHN N#CCCN[C@@]12CC[C@@](NC(=O)NCC(F)(F)F)(C1)CCC2 ZINC001277940430 1084410661 /nfs/dbraw/zinc/41/06/61/1084410661.db2.gz AVZHDYBFTNIQGL-QWHCGFSZSA-N 0 3 318.343 2.197 20 30 DEEDHN C=CCCC(=O)NCCCN(C)C[C@H](O)c1ccccc1F ZINC001235465126 1084438232 /nfs/dbraw/zinc/43/82/32/1084438232.db2.gz RIGGOBNWROWQPM-INIZCTEOSA-N 0 3 308.397 2.263 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc[n-]c1=O ZINC001235652116 1084488593 /nfs/dbraw/zinc/48/85/93/1084488593.db2.gz IZMFMKFGTOFIGU-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc[n-]c1=O ZINC001235652116 1084488598 /nfs/dbraw/zinc/48/85/98/1084488598.db2.gz IZMFMKFGTOFIGU-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001078068717 1084525401 /nfs/dbraw/zinc/52/54/01/1084525401.db2.gz BMLJKQYMSFJOFF-QZTJIDSGSA-N 0 3 310.397 2.191 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001078220147 1084596596 /nfs/dbraw/zinc/59/65/96/1084596596.db2.gz AVAFYSYFBUQOHZ-WMLDXEAASA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001078226338 1084609881 /nfs/dbraw/zinc/60/98/81/1084609881.db2.gz WOJLGTROZJPUSD-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2c[nH]cc2C)CC2(CCOCC2)C1 ZINC001089968018 1084669333 /nfs/dbraw/zinc/66/93/33/1084669333.db2.gz JNDDNAVYFXSBDI-OAHLLOKOSA-N 0 3 317.433 2.110 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ncoc2C)C12CCC2 ZINC001078573706 1084752546 /nfs/dbraw/zinc/75/25/46/1084752546.db2.gz MVXTVWQINNETEK-VXGBXAGGSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccnn2CC)C12CCC2 ZINC001078605943 1084766672 /nfs/dbraw/zinc/76/66/72/1084766672.db2.gz AWMWIYUBSIDJJS-KGLIPLIRSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnn2CC)C12CCC2 ZINC001078605942 1084766930 /nfs/dbraw/zinc/76/69/30/1084766930.db2.gz AWMWIYUBSIDJJS-KBPBESRZSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2conc2C)C12CCC2 ZINC001078716587 1084842857 /nfs/dbraw/zinc/84/28/57/1084842857.db2.gz VHJKALPFWGNKNC-QWHCGFSZSA-N 0 3 309.797 2.366 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001485853221 1084930101 /nfs/dbraw/zinc/93/01/01/1084930101.db2.gz ISCNTIDCYPERRG-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001485868393 1084942286 /nfs/dbraw/zinc/94/22/86/1084942286.db2.gz KXLZDEBCNDAJAW-AWEZNQCLSA-N 0 3 315.392 2.437 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)Oc1ccc(C)cc1 ZINC001485952728 1084998524 /nfs/dbraw/zinc/99/85/24/1084998524.db2.gz GZTIKPUISYJZPY-HOTGVXAUSA-N 0 3 302.418 2.222 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCCOc1ccccc1 ZINC001485951213 1084998790 /nfs/dbraw/zinc/99/87/90/1084998790.db2.gz HPVONDVAHCMINB-INIZCTEOSA-N 0 3 302.418 2.305 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)N[C@H](C)C(=O)N(C)C)CCCC1 ZINC001485965588 1085013559 /nfs/dbraw/zinc/01/35/59/1085013559.db2.gz QGKCJZIXRPEFDU-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)NCc1cccc2ccccc21 ZINC001485979763 1085019716 /nfs/dbraw/zinc/01/97/16/1085019716.db2.gz OCXXCTOTMSJYNX-KRWDZBQOSA-N 0 3 312.413 2.373 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C3CC3)n2)[C@H]1C ZINC001486079900 1085047031 /nfs/dbraw/zinc/04/70/31/1085047031.db2.gz SHHCICYQWXVELG-TZMCWYRMSA-N 0 3 317.437 2.117 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCC(=O)NCCC(C)(C)C)[C@H]1C ZINC001486073938 1085059618 /nfs/dbraw/zinc/05/96/18/1085059618.db2.gz LDRAUDOPZAPUPX-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3ccccc3oc2=O)C1 ZINC001486127174 1085093941 /nfs/dbraw/zinc/09/39/41/1085093941.db2.gz FGIBXKKTQFCDKO-ZFWWWQNUSA-N 0 3 324.380 2.009 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2onc(C)c2C)[C@H](OC)C1 ZINC001212444365 1085171965 /nfs/dbraw/zinc/17/19/65/1085171965.db2.gz UCFLPOVLBFQMCT-KCPJHIHWSA-N 0 3 321.421 2.075 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnnc(C)c1 ZINC000960265497 1085172641 /nfs/dbraw/zinc/17/26/41/1085172641.db2.gz QTROPPIVGDHFNW-QZTJIDSGSA-N 0 3 322.412 2.347 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncccn1 ZINC000960315355 1085192919 /nfs/dbraw/zinc/19/29/19/1085192919.db2.gz TYSQBBLLWYVWTC-HZPDHXFCSA-N 0 3 308.385 2.038 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)C(F)F ZINC000960343094 1085206027 /nfs/dbraw/zinc/20/60/27/1085206027.db2.gz FVZVUXJXRPPSFV-CQSZACIVSA-N 0 3 307.344 2.246 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001486351837 1085211471 /nfs/dbraw/zinc/21/14/71/1085211471.db2.gz WDTUOXLVWYPNOX-NCOADZHNSA-N 0 3 308.466 2.140 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001486351834 1085211816 /nfs/dbraw/zinc/21/18/16/1085211816.db2.gz WDTUOXLVWYPNOX-ARFHVFGLSA-N 0 3 308.466 2.140 20 30 DEEDHN Cc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)n1 ZINC001272943428 1085239875 /nfs/dbraw/zinc/23/98/75/1085239875.db2.gz CHVZHDOVUYISSU-IAGOWNOFSA-N 0 3 312.417 2.259 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)[C@@H](C)COC)C(C)C)cc1 ZINC001486373371 1085245792 /nfs/dbraw/zinc/24/57/92/1085245792.db2.gz SUQQZAYVDIHHRJ-INIZCTEOSA-N 0 3 316.445 2.485 20 30 DEEDHN C#CCCCC(=O)N[C@H](CNCc1cn(C)nc1C)C(C)(C)C ZINC001486394110 1085274450 /nfs/dbraw/zinc/27/44/50/1085274450.db2.gz CEDZZCNVKBHQDI-MRXNPFEDSA-N 0 3 318.465 2.153 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960457872 1085297935 /nfs/dbraw/zinc/29/79/35/1085297935.db2.gz JJQWPIVWNSHGPJ-YOEHRIQHSA-N 0 3 315.417 2.016 20 30 DEEDHN Cc1ncccc1CN1CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001486435542 1085311574 /nfs/dbraw/zinc/31/15/74/1085311574.db2.gz FZFIFPALYXSJJY-DZGCQCFKSA-N 0 3 314.433 2.266 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)Cc2ccc(C)o2)CC1 ZINC001486445378 1085317188 /nfs/dbraw/zinc/31/71/88/1085317188.db2.gz WSXYKBREDUFBLY-HNNXBMFYSA-N 0 3 302.418 2.371 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cc(C)no2)c(F)c1 ZINC001486522512 1085403975 /nfs/dbraw/zinc/40/39/75/1085403975.db2.gz DNCKOJGHTXNJRL-UHFFFAOYSA-N 0 3 303.337 2.328 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1OCC[C@H]1C)C2 ZINC000965118636 1085527250 /nfs/dbraw/zinc/52/72/50/1085527250.db2.gz CGUUOOOBHNKWSX-ZEGWEMQFSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000961119702 1085592670 /nfs/dbraw/zinc/59/26/70/1085592670.db2.gz FZXCUNJGLAJBAT-ZIAGYGMSSA-N 0 3 322.840 2.336 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001128265001 1085649149 /nfs/dbraw/zinc/64/91/49/1085649149.db2.gz YMVLQJRCTCOLJT-OAHLLOKOSA-N 0 3 308.397 2.167 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)COC)CC2)C1 ZINC000961289532 1085674184 /nfs/dbraw/zinc/67/41/84/1085674184.db2.gz XNRWTRHZMYDRJA-OAHLLOKOSA-N 0 3 314.857 2.336 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)s2)cc(C)n1 ZINC001128289235 1085676131 /nfs/dbraw/zinc/67/61/31/1085676131.db2.gz IKPUBBMUSVJYHD-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc2cccnc21 ZINC000961421056 1085727665 /nfs/dbraw/zinc/72/76/65/1085727665.db2.gz PBSJQSFIZCXJTJ-MNZLEMJZSA-N 0 3 307.397 2.010 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001083816124 1085729751 /nfs/dbraw/zinc/72/97/51/1085729751.db2.gz BTBXIHQQQFDDGY-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN N#Cc1ccc(F)c(CNCC2CC(NC(=O)C3CCC3)C2)c1 ZINC000961458220 1085740956 /nfs/dbraw/zinc/74/09/56/1085740956.db2.gz RMZYLUUOJVUWIF-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(C)CCC(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001128408769 1085767746 /nfs/dbraw/zinc/76/77/46/1085767746.db2.gz FEFMVOZKJHESEV-UHFFFAOYSA-N 0 3 304.390 2.020 20 30 DEEDHN C=C(C)CCC(=O)NCCNCC(=O)NCCC1CCCCC1 ZINC001128409196 1085768752 /nfs/dbraw/zinc/76/87/52/1085768752.db2.gz WTVZFBINHOLSME-UHFFFAOYSA-N 0 3 323.481 2.135 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(Cl)cc1OC ZINC000961635554 1085809813 /nfs/dbraw/zinc/80/98/13/1085809813.db2.gz QUCOCYWDWRYBRZ-NHAGDIPZSA-N 0 3 306.793 2.195 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3cncn3C)C2)C1=O ZINC001272997147 1085857046 /nfs/dbraw/zinc/85/70/46/1085857046.db2.gz UTOOYNSWWNWMPH-IBGZPJMESA-N 0 3 322.412 2.096 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)c2cc[nH]c2)C1 ZINC000961871718 1085888431 /nfs/dbraw/zinc/88/84/31/1085888431.db2.gz ROGJNVWLVIHIBV-UHFFFAOYSA-N 0 3 308.385 2.185 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cn(C)nc1C)CC2 ZINC001273017704 1085974052 /nfs/dbraw/zinc/97/40/52/1085974052.db2.gz AKHFNBRWZOHQCN-UHFFFAOYSA-N 0 3 316.449 2.119 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n(CC2CC2)c1C ZINC000962304085 1086059804 /nfs/dbraw/zinc/05/98/04/1086059804.db2.gz HNOVCMRODHGAPB-PIIMJCKOSA-N 0 3 313.445 2.361 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2nc(C)ccc2o1 ZINC000962361808 1086081486 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C=C(C)CCC(=O)NC1(CNC(=O)C(C)(C)N(C)CC)CCC1 ZINC001063452180 1087424734 /nfs/dbraw/zinc/42/47/34/1087424734.db2.gz TYSHOMXYQCKOHK-UHFFFAOYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CN(C)C(C)C)CCC1 ZINC001063896476 1087502659 /nfs/dbraw/zinc/50/26/59/1087502659.db2.gz NCMNWLQSVAOAAO-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079194880 1087761045 /nfs/dbraw/zinc/76/10/45/1087761045.db2.gz QPTLEHOBRHIULD-GVDBMIGSSA-N 0 3 320.383 2.337 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ccccc1OCC ZINC001114530176 1088343078 /nfs/dbraw/zinc/34/30/78/1088343078.db2.gz XRPWHWFIVNYCGS-MNZLEMJZSA-N 0 3 314.429 2.250 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001079717375 1088349246 /nfs/dbraw/zinc/34/92/46/1088349246.db2.gz FPLAMRSQGVZJCU-RHSMWYFYSA-N 0 3 313.445 2.453 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ncoc2-c2ccccc2)C1 ZINC001079806379 1088428798 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DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001080302917 1088762730 /nfs/dbraw/zinc/76/27/30/1088762730.db2.gz BLLHUWNVEJQCAA-CKEIUWERSA-N 0 3 312.413 2.256 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001080302918 1088762858 /nfs/dbraw/zinc/76/28/58/1088762858.db2.gz BLLHUWNVEJQCAA-JKIFEVAISA-N 0 3 312.413 2.256 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@H](O)C1 ZINC000958081452 1088780131 /nfs/dbraw/zinc/78/01/31/1088780131.db2.gz ODCCNOCRDOIJCP-CZUORRHYSA-N 0 3 322.836 2.247 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2cc3sccc3s2)[C@H](O)C1 ZINC000958184095 1088838039 /nfs/dbraw/zinc/83/80/39/1088838039.db2.gz UYCKMFHXUZDEES-GHMZBOCLSA-N 0 3 322.455 2.171 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC000958236510 1088870597 /nfs/dbraw/zinc/87/05/97/1088870597.db2.gz WHGUGWMTOCKPLS-ZWKOTPCHSA-N 0 3 316.445 2.238 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3cscc3s2)C1 ZINC000958267313 1088893890 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DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccccc2CC(C)C)[C@H](O)C1 ZINC000958729243 1089153722 /nfs/dbraw/zinc/15/37/22/1089153722.db2.gz SVCIITLRVKIDQO-SJLPKXTDSA-N 0 3 316.445 2.094 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001080865103 1089218328 /nfs/dbraw/zinc/21/83/28/1089218328.db2.gz ZXFBMIIQQZCXLJ-KBRIMQKVSA-N 0 3 300.402 2.271 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001081005485 1089276685 /nfs/dbraw/zinc/27/66/85/1089276685.db2.gz MKTOJJILFXYNRJ-CKEIUWERSA-N 0 3 302.418 2.421 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001080994908 1089282023 /nfs/dbraw/zinc/28/20/23/1089282023.db2.gz QGYMLDPLZCPKBI-KBRIMQKVSA-N 0 3 301.434 2.126 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001081039545 1089301085 /nfs/dbraw/zinc/30/10/85/1089301085.db2.gz SXQVSEPHHRYCNL-FVQBIDKESA-N 0 3 300.402 2.175 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1c1ccccc1 ZINC001081165412 1089365271 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C=CC(C)(C)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001274877893 1091459269 /nfs/dbraw/zinc/45/92/69/1091459269.db2.gz MEAABHFQPIIBSA-CQSZACIVSA-N 0 3 302.393 2.484 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001274877633 1091459936 /nfs/dbraw/zinc/45/99/36/1091459936.db2.gz FWEQENGAUSEDOD-PBHICJAKSA-N 0 3 320.408 2.087 20 30 DEEDHN CN(C)CCN(C(=O)c1cc(C#N)ccn1)C1CCCCC1 ZINC001412503137 1091461930 /nfs/dbraw/zinc/46/19/30/1091461930.db2.gz LRHNTWYZTCGZDI-UHFFFAOYSA-N 0 3 300.406 2.290 20 30 DEEDHN C=CCCCN1C[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccsc1 ZINC001274958595 1091491600 /nfs/dbraw/zinc/49/16/00/1091491600.db2.gz HLZHKKOKOLVKNA-CVEARBPZSA-N 0 3 320.458 2.168 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccn1 ZINC001275059612 1091535136 /nfs/dbraw/zinc/53/51/36/1091535136.db2.gz SETGGFOJTJFEPW-QZTJIDSGSA-N 0 3 305.381 2.090 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H](C)NC(=O)C1=CCCC1 ZINC001275122396 1091571634 /nfs/dbraw/zinc/57/16/34/1091571634.db2.gz 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COc1nc(-c2cccc(CN3CCN(C)CC3)c2)ccc1C#N ZINC001240282934 1139317686 /nfs/dbraw/zinc/31/76/86/1139317686.db2.gz FOONHHFOXQAJBI-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001295259152 1139361162 /nfs/dbraw/zinc/36/11/62/1139361162.db2.gz WAXWWVWMWAUQCM-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN CCN1CCN(c2ccc(-c3nc(C)cc(C#N)n3)cc2)CC1 ZINC001241739978 1139847335 /nfs/dbraw/zinc/84/73/35/1139847335.db2.gz GAFBARYWCOHRCX-UHFFFAOYSA-N 0 3 307.401 2.466 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001297919876 1139898678 /nfs/dbraw/zinc/89/86/78/1139898678.db2.gz BBVZUFSHSNNYAO-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001318436128 1140328919 /nfs/dbraw/zinc/32/89/19/1140328919.db2.gz FLPOXOKGMDOHHC-HNNXBMFYSA-N 0 3 304.438 2.475 20 30 DEEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001318454333 1140335587 /nfs/dbraw/zinc/33/55/87/1140335587.db2.gz 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C=C[C@H](COC)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001320592091 1140883625 /nfs/dbraw/zinc/88/36/25/1140883625.db2.gz MVCOCKFVINTZCQ-IAGOWNOFSA-N 0 3 317.433 2.151 20 30 DEEDHN CC#CCNCCN(CC)C(=O)COc1cccc(CC)c1 ZINC001320910491 1140986865 /nfs/dbraw/zinc/98/68/65/1140986865.db2.gz PUZGAPSKFBCMPW-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)CC(F)(F)F)c1 ZINC001320986763 1141020635 /nfs/dbraw/zinc/02/06/35/1141020635.db2.gz VDMXUVUULFWNRM-UPHRSURJSA-N 0 3 311.307 2.273 20 30 DEEDHN C=CCOCC(=O)NC/C=C\CN[C@H]1CCc2ccc(F)cc21 ZINC001320998283 1141024416 /nfs/dbraw/zinc/02/44/16/1141024416.db2.gz OBSDOMIGCKOTSF-LIMHQNJXSA-N 0 3 318.392 2.278 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCOc1ccc(C)cc1C ZINC001321083804 1141050250 /nfs/dbraw/zinc/05/02/50/1141050250.db2.gz QOZLQBCNRHDOFZ-SREVYHEPSA-N 0 3 314.429 2.358 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001321173486 1141074691 /nfs/dbraw/zinc/07/46/91/1141074691.db2.gz GFJCKJBTQFOXMU-IFOCYFHOSA-N 0 3 318.461 2.115 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001321363417 1141206644 /nfs/dbraw/zinc/20/66/44/1141206644.db2.gz PDSKLZZEVGSHMB-DWTRPJMMSA-N 0 3 302.805 2.265 20 30 DEEDHN Cc1ccoc1CC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001321637348 1141320358 /nfs/dbraw/zinc/32/03/58/1141320358.db2.gz MZSXQBHHMXESBR-MRXNPFEDSA-N 0 3 310.397 2.277 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001321950515 1141371154 /nfs/dbraw/zinc/37/11/54/1141371154.db2.gz ZEMWJKDJONXQRL-ZDUSSCGKSA-N 0 3 315.417 2.373 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001322159188 1141421814 /nfs/dbraw/zinc/42/18/14/1141421814.db2.gz YWGHZJIQSIYOMZ-GJZGRUSLSA-N 0 3 320.408 2.131 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)C1(CF)CCC1 ZINC001322701406 1141690035 /nfs/dbraw/zinc/69/00/35/1141690035.db2.gz XYZAYTAGGRWUEE-UHFFFAOYSA-N 0 3 321.234 2.473 20 30 DEEDHN O=C1C=C2CN(Cc3cnn4ccc(Cl)nc34)CCC2S1 ZINC001248874505 1141826760 /nfs/dbraw/zinc/82/67/60/1141826760.db2.gz HSFNCZYMEMTBRU-NSHDSACASA-N 0 3 320.805 2.157 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001323277101 1141835704 /nfs/dbraw/zinc/83/57/04/1141835704.db2.gz KAYAPDBZYNNVNF-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCN(C(=O)[C@H](C)[C@H](C)COC)C1CCN(CC=C)CC1 ZINC001324396129 1142069687 /nfs/dbraw/zinc/06/96/87/1142069687.db2.gz DNYZLMPSSUIVSH-HZPDHXFCSA-N 0 3 306.450 2.017 20 30 DEEDHN N#Cc1ccc(C(=O)Cc2cnn(CCN3CCCC3)c2)cc1 ZINC001250208228 1142095642 /nfs/dbraw/zinc/09/56/42/1142095642.db2.gz LWDUPOTXULDWDZ-UHFFFAOYSA-N 0 3 308.385 2.276 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001324572340 1142114239 /nfs/dbraw/zinc/11/42/39/1142114239.db2.gz GGVNYIKDQDUOJY-NHYWBVRUSA-N 0 3 308.451 2.395 20 30 DEEDHN C#CCOC[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC001251891188 1142533861 /nfs/dbraw/zinc/53/38/61/1142533861.db2.gz NTIGIEOKZIGYFK-CQSZACIVSA-N 0 3 313.319 2.295 20 30 DEEDHN C#C[C@@H](C)NC[C@@](C)(O)c1ccc(Br)cc1F ZINC001336783429 1142570407 /nfs/dbraw/zinc/57/04/07/1142570407.db2.gz HQLNQJGRIOJYCM-NOZJJQNGSA-N 0 3 300.171 2.407 20 30 DEEDHN O=C(CCNCC#C[C@@H]1CCCCO1)Nc1cc(F)cc(F)c1 ZINC001336854516 1142598654 /nfs/dbraw/zinc/59/86/54/1142598654.db2.gz NPLQZBXGGSVHPU-INIZCTEOSA-N 0 3 322.355 2.456 20 30 DEEDHN C=CCOC[C@H](O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001252453211 1142717983 /nfs/dbraw/zinc/71/79/83/1142717983.db2.gz HOJHUYSLBOHKOI-QGZVFWFLSA-N 0 3 321.392 2.284 20 30 DEEDHN C=CCOC[C@H](O)CN(C)Cc1cccc(Br)c1 ZINC001252461327 1142721155 /nfs/dbraw/zinc/72/11/55/1142721155.db2.gz PBSHFVDUPWAYJU-CQSZACIVSA-N 0 3 314.223 2.444 20 30 DEEDHN C=C[C@](C)(O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001252549852 1142758914 /nfs/dbraw/zinc/75/89/14/1142758914.db2.gz KFAYKTXFLUWCHL-KRWDZBQOSA-N 0 3 301.390 2.316 20 30 DEEDHN C=C[C@](C)(O)CN[C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001252586346 1142771642 /nfs/dbraw/zinc/77/16/42/1142771642.db2.gz ZFCLEDKWMBHEEM-MJGOQNOKSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C[C@@](C)(O)CNCc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001252585855 1142771698 /nfs/dbraw/zinc/77/16/98/1142771698.db2.gz VELRZHQXXVCYHQ-MRXNPFEDSA-N 0 3 307.394 2.455 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001252589291 1142772918 /nfs/dbraw/zinc/77/29/18/1142772918.db2.gz MBDVUGMJPYXPFR-ZIAGYGMSSA-N 0 3 310.438 2.303 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)CC1 ZINC001337760170 1142800462 /nfs/dbraw/zinc/80/04/62/1142800462.db2.gz HWOFAEOMVFMMRU-RTBURBONSA-N 0 3 310.441 2.327 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)Cc2ccc(C)nc2)C1 ZINC001278686462 1142828993 /nfs/dbraw/zinc/82/89/93/1142828993.db2.gz KLQWVQCOPGDCPJ-IBGZPJMESA-N 0 3 313.445 2.174 20 30 DEEDHN N#CC1(NC[C@]2(O)CCN(Cc3ccccc3)C2)CCCCC1 ZINC001252944706 1142832622 /nfs/dbraw/zinc/83/26/22/1142832622.db2.gz USKWAZBFFMJAHB-LJQANCHMSA-N 0 3 313.445 2.439 20 30 DEEDHN C=CCCCCCC[C@H](O)CNC1CN(c2ncccn2)C1 ZINC001253251731 1142857188 /nfs/dbraw/zinc/85/71/88/1142857188.db2.gz NORATDVHFLSADM-INIZCTEOSA-N 0 3 304.438 2.142 20 30 DEEDHN C#CCn1cc(CNC[C@@H](O)c2ccc(F)cc2Cl)cn1 ZINC001338536499 1142862441 /nfs/dbraw/zinc/86/24/41/1142862441.db2.gz YTNVCDYKASIJQY-OAHLLOKOSA-N 0 3 307.756 2.132 20 30 DEEDHN N#Cc1cncc(CNC[C@@H](O)CCOCc2ccccc2)c1 ZINC001253296407 1142862548 /nfs/dbraw/zinc/86/25/48/1142862548.db2.gz QKQAUGVRBRPREM-SFHVURJKSA-N 0 3 311.385 2.011 20 30 DEEDHN C=C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001253602459 1142883615 /nfs/dbraw/zinc/88/36/15/1142883615.db2.gz IVRIWQRADCWRQT-HNNXBMFYSA-N 0 3 321.384 2.170 20 30 DEEDHN C=C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001253602459 1142883620 /nfs/dbraw/zinc/88/36/20/1142883620.db2.gz IVRIWQRADCWRQT-HNNXBMFYSA-N 0 3 321.384 2.170 20 30 DEEDHN C[C@@](O)(CNCc1ccc(C#N)cc1)C(=O)OCc1ccccc1 ZINC001253620136 1142885589 /nfs/dbraw/zinc/88/55/89/1142885589.db2.gz KVINNSBWEYTKSO-LJQANCHMSA-N 0 3 324.380 2.142 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1noc(CC)n1 ZINC001339876960 1143156710 /nfs/dbraw/zinc/15/67/10/1143156710.db2.gz WVJNDFNPWMSXGV-STQMWFEESA-N 0 3 306.410 2.369 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC001339909195 1143172278 /nfs/dbraw/zinc/17/22/78/1143172278.db2.gz PMFPEIOCCVBEBW-SWLSCSKDSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)C[C@]23CCC[C@H]2OCC3)CC1 ZINC001339937182 1143190335 /nfs/dbraw/zinc/19/03/35/1143190335.db2.gz BOSFUXYIKYVVAO-SJLPKXTDSA-N 0 3 321.465 2.237 20 30 DEEDHN CC[C@H](CC#N)N[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254807724 1143326794 /nfs/dbraw/zinc/32/67/94/1143326794.db2.gz OWQFDNAWBXXNEX-KGLIPLIRSA-N 0 3 323.437 2.437 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC001340721025 1143410565 /nfs/dbraw/zinc/41/05/65/1143410565.db2.gz SPRIJGSYEUQXCY-CVEARBPZSA-N 0 3 321.469 2.205 20 30 DEEDHN CC[C@@H](CC#N)NCc1ccccc1CN1CCN(C)CC1 ZINC001255152767 1143448461 /nfs/dbraw/zinc/44/84/61/1143448461.db2.gz ATRWXJLKTYLPIB-SFHVURJKSA-N 0 3 300.450 2.216 20 30 DEEDHN CC[C@H](CC#N)NC1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001255160292 1143451492 /nfs/dbraw/zinc/45/14/92/1143451492.db2.gz HTIUYJPXNBPPLH-OAHLLOKOSA-N 0 3 310.401 2.445 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC1(C(=O)NCCC)CCCCC1 ZINC001341524186 1143622156 /nfs/dbraw/zinc/62/21/56/1143622156.db2.gz HECSOUNIYGATTP-CQSZACIVSA-N 0 3 309.454 2.015 20 30 DEEDHN C=C[C@H](CC(=O)N1CCC2(CC1)CNCCO2)c1ccccc1 ZINC001341949798 1143748985 /nfs/dbraw/zinc/74/89/85/1143748985.db2.gz FQXHZCVVWVOQLH-MRXNPFEDSA-N 0 3 314.429 2.327 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCC[C@H]1OCCc2ccccc21 ZINC001341970417 1143755989 /nfs/dbraw/zinc/75/59/89/1143755989.db2.gz QYAJYFZDMHXEET-DLBZAZTESA-N 0 3 315.417 2.218 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)C(F)(F)F)CC1 ZINC001255969994 1143817880 /nfs/dbraw/zinc/81/78/80/1143817880.db2.gz JOYJTVROWLYJPT-UHFFFAOYSA-N 0 3 311.307 2.201 20 30 DEEDHN C=CCCC[C@H](NC(=O)c1cc2c(s1)CNCC2)C(=O)OC ZINC001342516376 1143821464 /nfs/dbraw/zinc/82/14/64/1143821464.db2.gz ACDXNMNTANWWNY-LBPRGKRZSA-N 0 3 322.430 2.022 20 30 DEEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cccc(F)n1 ZINC001342718313 1143832083 /nfs/dbraw/zinc/83/20/83/1143832083.db2.gz PXWUHCFJPNNUHB-QDOCKXBDSA-N 0 3 304.321 2.149 20 30 DEEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cccc(F)n1 ZINC001342718311 1143832177 /nfs/dbraw/zinc/83/21/77/1143832177.db2.gz PXWUHCFJPNNUHB-OHVSUOQFSA-N 0 3 304.321 2.149 20 30 DEEDHN C=CCN(C)CCN(C(=O)C[C@@H](C)c1cnn(C)c1)C(C)C ZINC001278915669 1143832280 /nfs/dbraw/zinc/83/22/80/1143832280.db2.gz YPRMLSVKABPBLV-OAHLLOKOSA-N 0 3 306.454 2.269 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001342748656 1143834519 /nfs/dbraw/zinc/83/45/19/1143834519.db2.gz PRLCAAKKPMTEQA-OAHLLOKOSA-N 0 3 323.412 2.100 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CCOC1)c1ccccc1CC ZINC001278969396 1143870895 /nfs/dbraw/zinc/87/08/95/1143870895.db2.gz JHFONMKSSFLZGB-WMZOPIPTSA-N 0 3 314.429 2.056 20 30 DEEDHN C=CCCCC(=O)N[C@H](CNCc1cnn(C)c1)C(C)(C)C ZINC001278995128 1143889641 /nfs/dbraw/zinc/88/96/41/1143889641.db2.gz AYHLBFBBXIZWGS-OAHLLOKOSA-N 0 3 306.454 2.397 20 30 DEEDHN CCOC(=O)CC1CCC([NH2+][C@H](C(=O)N[O-])[C@@H](C)CC)CC1 ZINC001258029760 1143967290 /nfs/dbraw/zinc/96/72/90/1143967290.db2.gz IYOADDBTMYDIFF-CLTVBZQCSA-N 0 3 314.426 2.008 20 30 DEEDHN C=CCC[C@@H](C)n1nc(C(=O)N2CC=CC2)c2c1CCNC2 ZINC001258728210 1144036196 /nfs/dbraw/zinc/03/61/96/1144036196.db2.gz MRVIXJIXFDPPSW-CYBMUJFWSA-N 0 3 300.406 2.068 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001299541174 1144053669 /nfs/dbraw/zinc/05/36/69/1144053669.db2.gz RBRITCOJNHQSGO-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccncc2)C1 ZINC001261695892 1144268212 /nfs/dbraw/zinc/26/82/12/1144268212.db2.gz SEMSVKWCZXBADO-QZTJIDSGSA-N 0 3 311.429 2.422 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@@H]2CCCCN2C)cc1 ZINC001262652247 1144324859 /nfs/dbraw/zinc/32/48/59/1144324859.db2.gz AVSNULHVGUMUET-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC001263076225 1144353916 /nfs/dbraw/zinc/35/39/16/1144353916.db2.gz QSSRHUJBENXPBX-CYBMUJFWSA-N 0 3 309.797 2.322 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC001263145626 1144358415 /nfs/dbraw/zinc/35/84/15/1144358415.db2.gz XWVFORGFLKSEGO-SJLPKXTDSA-N 0 3 302.418 2.444 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cnn(CC2CCC2)c1 ZINC001263254499 1144363711 /nfs/dbraw/zinc/36/37/11/1144363711.db2.gz IMLIOUNPGJIAQK-XJKSGUPXSA-N 0 3 317.437 2.272 20 30 DEEDHN CC(C)[C@@H](C#N)OC(=O)C1CCN(Cc2ccccc2)C1=O ZINC001263367172 1144372450 /nfs/dbraw/zinc/37/24/50/1144372450.db2.gz KWPJBKIPKSYIEQ-LSDHHAIUSA-N 0 3 300.358 2.126 20 30 DEEDHN Cc1cc2nc(C)cc(C(=O)C(C#N)c3cccc(F)n3)n2n1 ZINC001263377987 1144373384 /nfs/dbraw/zinc/37/33/84/1144373384.db2.gz RVFAADBCZFOFQG-NSHDSACASA-N 0 3 309.304 2.370 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCCCOC)cc1 ZINC001263804731 1144395541 /nfs/dbraw/zinc/39/55/41/1144395541.db2.gz GHDLFBWJPJLHAM-GOSISDBHSA-N 0 3 314.429 2.241 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001263853394 1144412149 /nfs/dbraw/zinc/41/21/49/1144412149.db2.gz TWTQBUFZKWCEGU-WKILWMFISA-N 0 3 302.393 2.271 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2cc(C)n(C)n2)C1 ZINC001263893653 1144420734 /nfs/dbraw/zinc/42/07/34/1144420734.db2.gz FEAVYJVAQYEDDM-LSDHHAIUSA-N 0 3 304.438 2.069 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCCOC)C2)CC1 ZINC001263935110 1144426733 /nfs/dbraw/zinc/42/67/33/1144426733.db2.gz UMSIMXYXNHXCCT-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C)C(C)C)n1 ZINC001264028465 1144444278 /nfs/dbraw/zinc/44/42/78/1144444278.db2.gz XKKHBXZJUVQPGB-ZDUSSCGKSA-N 0 3 320.437 2.146 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)COc2cc(C)ccc2F)[C@H]1C ZINC001264142274 1144485058 /nfs/dbraw/zinc/48/50/58/1144485058.db2.gz VLWGQXUMSMZVDU-ZBFHGGJFSA-N 0 3 318.392 2.115 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001264193145 1144504386 /nfs/dbraw/zinc/50/43/86/1144504386.db2.gz LSXBXJNNGPEGRY-HZPDHXFCSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccncc2)CC(C)(C)C1 ZINC001264194643 1144504889 /nfs/dbraw/zinc/50/48/89/1144504889.db2.gz CQWOROIATISJGQ-QGZVFWFLSA-N 0 3 313.445 2.254 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001264366575 1144513609 /nfs/dbraw/zinc/51/36/09/1144513609.db2.gz HESHNIHARIJTBK-HNNXBMFYSA-N 0 3 318.417 2.465 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccnc1N(C)C ZINC001264379983 1144522084 /nfs/dbraw/zinc/52/20/84/1144522084.db2.gz BFYIQDBIBKRXCG-HNNXBMFYSA-N 0 3 316.449 2.260 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCC(=C)Br)C1 ZINC001264390527 1144525815 /nfs/dbraw/zinc/52/58/15/1144525815.db2.gz WZCBTTHUEIEDEB-BETUJISGSA-N 0 3 313.239 2.183 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccnn1C ZINC001264507881 1144549677 /nfs/dbraw/zinc/54/96/77/1144549677.db2.gz ALJVXALZXKRSSC-GXTWGEPZSA-N 0 3 324.856 2.393 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@H]2C1(C)C ZINC001264586361 1144571367 /nfs/dbraw/zinc/57/13/67/1144571367.db2.gz ORYYABLHQLXRGF-CGTJXYLNSA-N 0 3 300.446 2.418 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)OCc2ccncc2)[C@H]1C ZINC001264720619 1144600141 /nfs/dbraw/zinc/60/01/41/1144600141.db2.gz VYCYXDIZVBRJLI-VYDXJSESSA-N 0 3 317.433 2.142 20 30 DEEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1c(C)nsc1C ZINC001265105823 1144645285 /nfs/dbraw/zinc/64/52/85/1144645285.db2.gz AHEBYZNUTGBUKX-LLVKDONJSA-N 0 3 308.451 2.248 20 30 DEEDHN Cc1cccnc1CN(CCCNC(=O)C#CC1CC1)C1CC1 ZINC001265161754 1144658222 /nfs/dbraw/zinc/65/82/22/1144658222.db2.gz ZZFPRVNHGFTMNS-UHFFFAOYSA-N 0 3 311.429 2.274 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001265218633 1144669653 /nfs/dbraw/zinc/66/96/53/1144669653.db2.gz JDOSMLFHDLTYFX-XJKSGUPXSA-N 0 3 317.433 2.389 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C2(C)CC=CC2)CC1 ZINC001265249494 1144675969 /nfs/dbraw/zinc/67/59/69/1144675969.db2.gz MXIZYARUYXPMPF-UHFFFAOYSA-N 0 3 305.466 2.043 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001265332711 1144694826 /nfs/dbraw/zinc/69/48/26/1144694826.db2.gz ZIPLQJMLGZBYQZ-DLBZAZTESA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(OCC)n[nH]2)CC1 ZINC001265339018 1144695542 /nfs/dbraw/zinc/69/55/42/1144695542.db2.gz SYBCNZMAGMSTSG-UHFFFAOYSA-N 0 3 320.437 2.311 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001265440601 1144704142 /nfs/dbraw/zinc/70/41/42/1144704142.db2.gz YZWNGVMKUKHPGM-SYFOGONKSA-N 0 3 300.830 2.158 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001265468365 1144705572 /nfs/dbraw/zinc/70/55/72/1144705572.db2.gz AEGISHPZKJULHI-UIJYXXTRSA-N 0 3 301.228 2.488 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001265582964 1144714823 /nfs/dbraw/zinc/71/48/23/1144714823.db2.gz XUTGQVPJKMXSAM-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)Cc2nc(C)sc2C)C1 ZINC001265586787 1144715217 /nfs/dbraw/zinc/71/52/17/1144715217.db2.gz 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/nfs/dbraw/zinc/01/05/85/1146010585.db2.gz HRICGGNNWCFNHE-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)CCCF)C2)c1 ZINC001365840629 1146025424 /nfs/dbraw/zinc/02/54/24/1146025424.db2.gz SUNOTGOACNHFOI-CTYIDZIISA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001365847699 1146027355 /nfs/dbraw/zinc/02/73/55/1146027355.db2.gz GOOYSTPODHIJRZ-IHRRRGAJSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001288005956 1146761177 /nfs/dbraw/zinc/76/11/77/1146761177.db2.gz MBRKBBZOMQBLIF-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@@H](CC)N(C)C ZINC001290738958 1146841284 /nfs/dbraw/zinc/84/12/84/1146841284.db2.gz FOJFIEONGVZADV-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CCN(C(=O)CN(C)CCC)CC1 ZINC001492113491 1147079152 /nfs/dbraw/zinc/07/91/52/1147079152.db2.gz BLOJEPKSXGCXOB-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)NCCC[C@@H]1CCCN1CC#N ZINC001492171941 1147113198 /nfs/dbraw/zinc/11/31/98/1147113198.db2.gz TXEXLNNSLVROCA-SJORKVTESA-N 0 3 320.481 2.134 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@H](C)C2CC2)cc1C#N ZINC001366273526 1147187716 /nfs/dbraw/zinc/18/77/16/1147187716.db2.gz TZVVHHVNKAGILG-QWHCGFSZSA-N 0 3 315.417 2.207 20 30 DEEDHN C[C@@H](CNC(=O)C[C@H]1CCCOC1)NCc1ccc(C#N)s1 ZINC001366369438 1147239443 /nfs/dbraw/zinc/23/94/43/1147239443.db2.gz SHKMKZGTXSBHLB-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN CCO[C@@H](CC)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001366371862 1147240425 /nfs/dbraw/zinc/24/04/25/1147240425.db2.gz BLPDCWYQYKVOIS-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCn1cc(Cl)cn1 ZINC001366515375 1147321087 /nfs/dbraw/zinc/32/10/87/1147321087.db2.gz XVFYIYQIMNUKEB-NSHDSACASA-N 0 3 319.236 2.164 20 30 DEEDHN CC(C)C(=O)NC[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC001366661195 1147452187 /nfs/dbraw/zinc/45/21/87/1147452187.db2.gz RTAPEMXPCWJBOV-MRXNPFEDSA-N 0 3 315.417 2.326 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001317532374 1147550223 /nfs/dbraw/zinc/55/02/23/1147550223.db2.gz JZJCWRJDWFRRLX-QWHCGFSZSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001314492382 1147575414 /nfs/dbraw/zinc/57/54/14/1147575414.db2.gz KYTLPNOGQCGPFD-JQHSSLGASA-N 0 3 311.429 2.274 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1csc(C)n1 ZINC001316806836 1147581328 /nfs/dbraw/zinc/58/13/28/1147581328.db2.gz SXTOJWASGWVRGZ-HNNXBMFYSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001316748605 1147593831 /nfs/dbraw/zinc/59/38/31/1147593831.db2.gz KFAYMAQUKMGYHU-SJLPKXTDSA-N 0 3 306.450 2.204 20 30 DEEDHN CC(C)CCOCCN1CC[C@H](NC(=O)C#CC2CC2)[C@H]1C ZINC001316783026 1147599108 /nfs/dbraw/zinc/59/91/08/1147599108.db2.gz PHVKPJRXJGUQQH-WBVHZDCISA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccc(F)cc2F)[C@H]1C ZINC001316784513 1147599471 /nfs/dbraw/zinc/59/94/71/1147599471.db2.gz PVTXPCSBDCPYKV-DOMZBBRYSA-N 0 3 324.371 2.499 20 30 DEEDHN CC#CCN(CCCNC(=O)Cc1csc(CC)n1)C1CC1 ZINC001316928094 1147633317 /nfs/dbraw/zinc/63/33/17/1147633317.db2.gz ZBXOJBSPTMSOBX-UHFFFAOYSA-N 0 3 319.474 2.242 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCOc2ccc(C)cc2)C1 ZINC001316993024 1147645923 /nfs/dbraw/zinc/64/59/23/1147645923.db2.gz LLSPOVYTDKIJRX-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001367081929 1147646297 /nfs/dbraw/zinc/64/62/97/1147646297.db2.gz AQMUQWXGNJUUNO-VXGBXAGGSA-N 0 3 309.435 2.029 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001367081925 1147646442 /nfs/dbraw/zinc/64/64/42/1147646442.db2.gz AQMUQWXGNJUUNO-NWDGAFQWSA-N 0 3 309.435 2.029 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccn1 ZINC001317042250 1147651999 /nfs/dbraw/zinc/65/19/99/1147651999.db2.gz HLAALXVEALLIHX-SOUVJXGZSA-N 0 3 300.406 2.120 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2conc2CC)C1 ZINC001317075076 1147656647 /nfs/dbraw/zinc/65/66/47/1147656647.db2.gz RYIWEXQXNKUTNC-SHTZXODSSA-N 0 3 303.406 2.167 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001317083968 1147657761 /nfs/dbraw/zinc/65/77/61/1147657761.db2.gz VTEZFXBSKWJFCY-MGPQQGTHSA-N 0 3 302.422 2.295 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cccc2)C1 ZINC001317099724 1147659479 /nfs/dbraw/zinc/65/94/79/1147659479.db2.gz IVQUNIYWEJOYAZ-QZTJIDSGSA-N 0 3 313.445 2.214 20 30 DEEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001317177068 1147671411 /nfs/dbraw/zinc/67/14/11/1147671411.db2.gz QLVLNTZNRWRISX-OAHLLOKOSA-N 0 3 317.433 2.234 20 30 DEEDHN C=CCC1(C(=O)N2CCCC[C@H]2CNCCF)CCOCC1 ZINC001317197378 1147674892 /nfs/dbraw/zinc/67/48/92/1147674892.db2.gz TYYVAVBFWTYQAJ-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001317211297 1147677634 /nfs/dbraw/zinc/67/76/34/1147677634.db2.gz XXPYUIQCHUACDF-HOCLYGCPSA-N 0 3 318.465 2.349 20 30 DEEDHN C[C@H](CNC(=O)C#CC1CC1)N[C@H]1CCc2c1cc(F)cc2F ZINC001317239482 1147681368 /nfs/dbraw/zinc/68/13/68/1147681368.db2.gz RNBPYUGPBGJYQU-DIFFPNOSSA-N 0 3 318.367 2.460 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)C=C2CCC2)cc1C#N ZINC001317242554 1147681668 /nfs/dbraw/zinc/68/16/68/1147681668.db2.gz WMZFKFFAQRQNCO-ZDUSSCGKSA-N 0 3 313.401 2.271 20 30 DEEDHN CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](C)NCC#CCOC ZINC001317271454 1147684792 /nfs/dbraw/zinc/68/47/92/1147684792.db2.gz NBUIROJERQLNPL-WBVHZDCISA-N 0 3 308.466 2.337 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001317307105 1147688664 /nfs/dbraw/zinc/68/86/64/1147688664.db2.gz UUSNVFPTHLEIIR-RYQLBKOJSA-N 0 3 312.413 2.013 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001317478619 1147713637 /nfs/dbraw/zinc/71/36/37/1147713637.db2.gz QTVSILNUJGCKRK-AWEZNQCLSA-N 0 3 306.381 2.001 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001317508767 1147717840 /nfs/dbraw/zinc/71/78/40/1147717840.db2.gz KMNDGBYXCXVXNT-QGZVFWFLSA-N 0 3 301.434 2.343 20 30 DEEDHN CC(C)SCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001367721796 1147732522 /nfs/dbraw/zinc/73/25/22/1147732522.db2.gz KKJTVFDVWSGSJV-LBPRGKRZSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C[C@@H]1CCCO1 ZINC001367789002 1147745051 /nfs/dbraw/zinc/74/50/51/1147745051.db2.gz KCFWOEMNEDJNQO-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CSCC#N)c1ccccc1 ZINC001317715067 1147746507 /nfs/dbraw/zinc/74/65/07/1147746507.db2.gz WYAGQCREHLJVRB-HNNXBMFYSA-N 0 3 303.431 2.266 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](NCC(=C)C)c1ccccc1 ZINC001317718922 1147746949 /nfs/dbraw/zinc/74/69/49/1147746949.db2.gz RIUXCXFSMKWHOM-SJLPKXTDSA-N 0 3 302.418 2.337 20 30 DEEDHN C#CCN[C@H](CNC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001317723590 1147747406 /nfs/dbraw/zinc/74/74/06/1147747406.db2.gz HPODGSLLWMBWPJ-QGZVFWFLSA-N 0 3 315.461 2.045 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCC)[C@H]2CCN(CCCF)C2)cn1 ZINC001317770671 1147751025 /nfs/dbraw/zinc/75/10/25/1147751025.db2.gz UIZNTNQMWKZHEV-KRWDZBQOSA-N 0 3 317.408 2.349 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)C(C)(C)C2CCC2)C1 ZINC001317796366 1147753372 /nfs/dbraw/zinc/75/33/72/1147753372.db2.gz WYXXEOYTOSTUBX-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001367877953 1147764639 /nfs/dbraw/zinc/76/46/39/1147764639.db2.gz JSQZVEMCEVIQBO-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001317992189 1147765131 /nfs/dbraw/zinc/76/51/31/1147765131.db2.gz WSIDRKUNSZJBNC-INIZCTEOSA-N 0 3 315.417 2.090 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001318138998 1147781692 /nfs/dbraw/zinc/78/16/92/1147781692.db2.gz UNRCEFHQZJPZDH-UHFFFAOYSA-N 0 3 309.413 2.172 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccnnc1C ZINC001318204764 1147796580 /nfs/dbraw/zinc/79/65/80/1147796580.db2.gz UQFHVTBJEHLHEB-QEJZJMRPSA-N 0 3 300.406 2.038 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C1CC1 ZINC001318222852 1147800355 /nfs/dbraw/zinc/80/03/55/1147800355.db2.gz BJFJVEWEENDUTH-KBPBESRZSA-N 0 3 300.406 2.152 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001318273680 1147806393 /nfs/dbraw/zinc/80/63/93/1147806393.db2.gz VGKHXHZPWXSJCQ-SFHVURJKSA-N 0 3 314.429 2.063 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(CCCCCF)C2)c1 ZINC001318277165 1147806855 /nfs/dbraw/zinc/80/68/55/1147806855.db2.gz XMTLTPZGXIMOMG-INIZCTEOSA-N 0 3 303.381 2.007 20 30 DEEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC001318347385 1147814248 /nfs/dbraw/zinc/81/42/48/1147814248.db2.gz YEKAVDHBJFMONY-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN COc1cc(CNC2(CNC(=O)[C@H](C)C#N)CC2)ccc1Cl ZINC001367992856 1147821344 /nfs/dbraw/zinc/82/13/44/1147821344.db2.gz QTMHRQMIJAKINO-LLVKDONJSA-N 0 3 321.808 2.247 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(C3CC3)on2)CC1 ZINC001324876099 1147855041 /nfs/dbraw/zinc/85/50/41/1147855041.db2.gz HVFQEZBXLDGWJI-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001325053248 1147871225 /nfs/dbraw/zinc/87/12/25/1147871225.db2.gz HYJVNHHFEKNVAL-MRXNPFEDSA-N 0 3 320.383 2.304 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)Cc2ccc3ccccc3c2)C1 ZINC001325160726 1147881687 /nfs/dbraw/zinc/88/16/87/1147881687.db2.gz KUNGWPCMIMQSPL-FQEVSTJZSA-N 0 3 324.424 2.121 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2ccn(CC)n2)C1 ZINC001325397149 1147899447 /nfs/dbraw/zinc/89/94/47/1147899447.db2.gz OPYKYQQIQKIYMH-JKSUJKDBSA-N 0 3 316.449 2.033 20 30 DEEDHN Cc1cc(CNC[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C)on1 ZINC001325506857 1147929916 /nfs/dbraw/zinc/92/99/16/1147929916.db2.gz AHACHAZLNPOLRO-DZGCQCFKSA-N 0 3 317.433 2.217 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 ZINC001325736416 1147992401 /nfs/dbraw/zinc/99/24/01/1147992401.db2.gz OGNOTCHAVNEKSJ-BETUJISGSA-N 0 3 302.340 2.133 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)c2cc(C)co2)C1 ZINC001325849117 1148007336 /nfs/dbraw/zinc/00/73/36/1148007336.db2.gz QJENPNSJNYFEIP-KRWDZBQOSA-N 0 3 306.406 2.111 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2cc(C)ccc2C)CCC1 ZINC001326913948 1148289230 /nfs/dbraw/zinc/28/92/30/1148289230.db2.gz XNROXIVJGCASHK-UHFFFAOYSA-N 0 3 314.429 2.195 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)CCCC)C2)CC1 ZINC001327081225 1148321597 /nfs/dbraw/zinc/32/15/97/1148321597.db2.gz GQWOVEWRWRBPEO-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc([C@@H](C)CC)cc2)CCO1 ZINC001327081340 1148322077 /nfs/dbraw/zinc/32/20/77/1148322077.db2.gz OJLXWSWKZQOMOT-MAUKXSAKSA-N 0 3 314.429 2.264 20 30 DEEDHN Cc1nccc(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)n1 ZINC000424077254 230593861 /nfs/dbraw/zinc/59/38/61/230593861.db2.gz BALPNKORZXJDAU-OAHLLOKOSA-N 0 3 309.373 2.412 20 30 DEEDHN C=C[C@](C)(O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000612589013 361867209 /nfs/dbraw/zinc/86/72/09/361867209.db2.gz VHNWSEOINKHYRS-SFHVURJKSA-N 0 3 318.417 2.427 20 30 DEEDHN CC[C@H](NC(=O)C(C)C#N)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000339479048 529535405 /nfs/dbraw/zinc/53/54/05/529535405.db2.gz PCBUMDUEOCCRNF-CWRNSKLLSA-N 0 3 311.389 2.230 20 30 DEEDHN CC[C@H](C)N1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000295912826 529700607 /nfs/dbraw/zinc/70/06/07/529700607.db2.gz DWUXJMWCMASOAU-LBPRGKRZSA-N 0 3 318.421 2.123 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H](Oc2ccccc2)C1 ZINC000371440172 529867089 /nfs/dbraw/zinc/86/70/89/529867089.db2.gz PKACQWKSSYUYMJ-QGZVFWFLSA-N 0 3 315.417 2.292 20 30 DEEDHN CN(CCNC(=O)c1ccc(Br)cc1C#N)C1CC1 ZINC000294575576 529916490 /nfs/dbraw/zinc/91/64/90/529916490.db2.gz PMIPAVWTCVICET-UHFFFAOYSA-N 0 3 322.206 2.145 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000614747447 362453216 /nfs/dbraw/zinc/45/32/16/362453216.db2.gz UZHXCKVHCLVQPG-CJNGLKHVSA-N 0 3 310.825 2.038 20 30 DEEDHN CN(CCNC(=O)[C@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000329993822 282380504 /nfs/dbraw/zinc/38/05/04/282380504.db2.gz LTAXAXNJQHXAFP-CQSZACIVSA-N 0 3 316.467 2.175 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)CNc1ccc(C#N)cc1 ZINC000342252470 404468192 /nfs/dbraw/zinc/46/81/92/404468192.db2.gz REGDXUCCLRAFCG-UHFFFAOYSA-N 0 3 314.433 2.305 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](C)CO ZINC000154874232 539554836 /nfs/dbraw/zinc/55/48/36/539554836.db2.gz GYXNOJNUYRKVKJ-AWEZNQCLSA-N 0 3 324.494 2.213 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1F ZINC000286930451 219230416 /nfs/dbraw/zinc/23/04/16/219230416.db2.gz DGMMPKVTFMHJIV-HNNXBMFYSA-N 0 3 301.365 2.444 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000328903672 539911898 /nfs/dbraw/zinc/91/18/98/539911898.db2.gz IFIJWFWEMJPSIS-GFCCVEGCSA-N 0 3 303.362 2.456 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC000329161128 539914958 /nfs/dbraw/zinc/91/49/58/539914958.db2.gz YTACUNBUKJLXKP-CQSZACIVSA-N 0 3 301.390 2.083 20 30 DEEDHN CN1CCC(CC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000329563651 539922884 /nfs/dbraw/zinc/92/28/84/539922884.db2.gz GUYBICPJDZVPRL-MRXNPFEDSA-N 0 3 321.465 2.323 20 30 DEEDHN Cc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000047011708 354302145 /nfs/dbraw/zinc/30/21/45/354302145.db2.gz KKIBMYNBBNDGFM-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1CCc1ccccc1 ZINC000052105802 354394508 /nfs/dbraw/zinc/39/45/08/354394508.db2.gz UHZQBPFCPDJROA-INIZCTEOSA-N 0 3 315.417 2.095 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000066948565 354741698 /nfs/dbraw/zinc/74/16/98/354741698.db2.gz OCARRKAUWWWRQO-GDBMZVCRSA-N 0 3 315.417 2.268 20 30 DEEDHN Cc1nc(C(=O)N2CCC[C@@H]2CN2CCCCC2)ccc1C#N ZINC000068133059 354799430 /nfs/dbraw/zinc/79/94/30/354799430.db2.gz AMAMNJKJVQVQRY-MRXNPFEDSA-N 0 3 312.417 2.352 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000068801453 354833844 /nfs/dbraw/zinc/83/38/44/354833844.db2.gz WATOLPFXONRDLY-QGOAFFKASA-N 0 3 303.406 2.223 20 30 DEEDHN C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000595582175 358492196 /nfs/dbraw/zinc/49/21/96/358492196.db2.gz RNHNLADVQWGVCX-CQSZACIVSA-N 0 3 312.417 2.050 20 30 DEEDHN C=CCC1(NC(=O)C2CN(C3CCCCC3)C2)CCOCC1 ZINC000618251259 363432109 /nfs/dbraw/zinc/43/21/09/363432109.db2.gz GITWPFQZIGPKPG-UHFFFAOYSA-N 0 3 306.450 2.492 20 30 DEEDHN N#Cc1cccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c1F ZINC000595588142 358493009 /nfs/dbraw/zinc/49/30/09/358493009.db2.gz LSBJQEKNAGENBW-KRWDZBQOSA-N 0 3 318.392 2.355 20 30 DEEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CC(=O)N2C ZINC000276984378 213220220 /nfs/dbraw/zinc/22/02/20/213220220.db2.gz URGXXGUIWHPZJI-LBPRGKRZSA-N 0 3 308.385 2.266 20 30 DEEDHN C[C@@H](NC(=O)N(C)CCN1CCCC1)c1cccc(C#N)c1 ZINC000074916986 355058533 /nfs/dbraw/zinc/05/85/33/355058533.db2.gz HDPMOPXXZOGCFX-CQSZACIVSA-N 0 3 300.406 2.356 20 30 DEEDHN N#Cc1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cn1 ZINC000089643876 355539397 /nfs/dbraw/zinc/53/93/97/355539397.db2.gz DFKUVCTVGMPXFB-MSOLQXFVSA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000089645090 355539930 /nfs/dbraw/zinc/53/99/30/355539930.db2.gz AERYKRZUEYUIPS-IAGOWNOFSA-N 0 3 308.385 2.001 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ccncc1C(N)=O)C(C)C ZINC000180012603 356039747 /nfs/dbraw/zinc/03/97/47/356039747.db2.gz AQHRWLJGHPSCPB-INIZCTEOSA-N 0 3 302.422 2.291 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](CC(N)=O)C1CCCCC1 ZINC000182067681 356107830 /nfs/dbraw/zinc/10/78/30/356107830.db2.gz HERGCVSCMCSVMU-MRXNPFEDSA-N 0 3 315.417 2.481 20 30 DEEDHN N#Cc1ccc(CN(CC2CCS(=O)(=O)CC2)C2CC2)cc1 ZINC000271323503 283138350 /nfs/dbraw/zinc/13/83/50/283138350.db2.gz UHXKCEIMXKMIGD-UHFFFAOYSA-N 0 3 318.442 2.347 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CCCC)CCCO)CC1 ZINC000183618013 356177587 /nfs/dbraw/zinc/17/75/87/356177587.db2.gz GNEPOVMLLRLZAB-UHFFFAOYSA-N 0 3 311.470 2.221 20 30 DEEDHN CCOC(=O)C[C@H](C)N(C)CCOc1ccc(C#N)cc1OC ZINC000182635628 356134448 /nfs/dbraw/zinc/13/44/48/356134448.db2.gz ZUYVDDSQUHJLHL-ZDUSSCGKSA-N 0 3 320.389 2.219 20 30 DEEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000595620373 358504247 /nfs/dbraw/zinc/50/42/47/358504247.db2.gz MPYZHSVSOIRJSD-LBPRGKRZSA-N 0 3 304.369 2.362 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCc2c1cccc2Cl ZINC000579810641 357034068 /nfs/dbraw/zinc/03/40/68/357034068.db2.gz CINKXBJMJFZZKF-LRDDRELGSA-N 0 3 307.825 2.123 20 30 DEEDHN Cc1nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1C#N ZINC000579628492 357007413 /nfs/dbraw/zinc/00/74/13/357007413.db2.gz UNFDZWHLPNFSHB-IIYDPXPESA-N 0 3 312.417 2.064 20 30 DEEDHN CN(C)CCn1nccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000581568124 357209043 /nfs/dbraw/zinc/20/90/43/357209043.db2.gz XYUFGMFMFNOMET-UHFFFAOYSA-N 0 3 317.780 2.222 20 30 DEEDHN C=CCN1CCC(Nc2nc3ccccc3n(CC)c2=O)CC1 ZINC000582013134 357285974 /nfs/dbraw/zinc/28/59/74/357285974.db2.gz BHWAEELEXFEODH-UHFFFAOYSA-N 0 3 312.417 2.479 20 30 DEEDHN N#C[C@@]1(F)CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000585753849 357352427 /nfs/dbraw/zinc/35/24/27/357352427.db2.gz DHNRUWAUMMTIEM-MSOLQXFVSA-N 0 3 317.408 2.215 20 30 DEEDHN CN1C[C@@H]2CCN(Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000590012796 357512578 /nfs/dbraw/zinc/51/25/78/357512578.db2.gz YRJSAMYMNJBJPK-SWLSCSKDSA-N 0 3 320.234 2.457 20 30 DEEDHN N#CC1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000590482053 357549945 /nfs/dbraw/zinc/54/99/45/357549945.db2.gz SOAJJICNTZWXOS-HNNXBMFYSA-N 0 3 319.355 2.126 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000590923445 357644586 /nfs/dbraw/zinc/64/45/86/357644586.db2.gz QUAJPRRGYGZWQU-OAHLLOKOSA-N 0 3 318.396 2.321 20 30 DEEDHN CN(C)C1(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000591344735 357708591 /nfs/dbraw/zinc/70/85/91/357708591.db2.gz USIXHFSYSAERSU-UHFFFAOYSA-N 0 3 303.410 2.330 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000591549441 357735806 /nfs/dbraw/zinc/73/58/06/357735806.db2.gz WNCMUVJXZJUSFJ-RDJZCZTQSA-N 0 3 312.417 2.281 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000591799391 357761751 /nfs/dbraw/zinc/76/17/51/357761751.db2.gz BJTWTFKGNVKTHS-IAGOWNOFSA-N 0 3 323.400 2.214 20 30 DEEDHN CC(C)N1CCN(c2cccc(Nc3ncncc3C#N)c2)CC1 ZINC000591926282 357798962 /nfs/dbraw/zinc/79/89/62/357798962.db2.gz DMOQNGVGSQGEKN-UHFFFAOYSA-N 0 3 322.416 2.044 20 30 DEEDHN COc1cc2nccc(N3CC[C@@](O)(CC#N)C3)c2cc1OC ZINC000591972335 357808165 /nfs/dbraw/zinc/80/81/65/357808165.db2.gz ARCRICDAZSRQNX-KRWDZBQOSA-N 0 3 313.357 2.107 20 30 DEEDHN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H](N)CCCC#N ZINC000592218658 357853667 /nfs/dbraw/zinc/85/36/67/357853667.db2.gz OIVYARSKCMNISM-HZPDHXFCSA-N 0 3 314.433 2.265 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000592233750 357855300 /nfs/dbraw/zinc/85/53/00/357855300.db2.gz AGDHUZSCKITSQK-JMEBYUIHSA-N 0 3 317.374 2.261 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2nc(C)cs2)CC1 ZINC000592302250 357861070 /nfs/dbraw/zinc/86/10/70/357861070.db2.gz YKPOIOLRLQDPRI-UHFFFAOYSA-N 0 3 322.478 2.334 20 30 DEEDHN C=C[C@H](O)C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000666976815 540373273 /nfs/dbraw/zinc/37/32/73/540373273.db2.gz PTTJKGCINKXYCL-UAGQMJEPSA-N 0 3 302.418 2.217 20 30 DEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000593614989 358112017 /nfs/dbraw/zinc/11/20/17/358112017.db2.gz JUJQEMLMCCJSGY-NOZJJQNGSA-N 0 3 324.764 2.229 20 30 DEEDHN CCC(C#N)C(=O)NC[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000593741431 358134250 /nfs/dbraw/zinc/13/42/50/358134250.db2.gz ASNYAXTXFFWNAQ-SUMWQHHRSA-N 0 3 302.374 2.173 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000593990042 358185669 /nfs/dbraw/zinc/18/56/69/358185669.db2.gz WALAOVPWHKVULY-OLMNPRSZSA-N 0 3 311.429 2.432 20 30 DEEDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594004197 358187868 /nfs/dbraw/zinc/18/78/68/358187868.db2.gz XJBSSRWPWLQCEW-YUGHPYOKSA-N 0 3 321.465 2.055 20 30 DEEDHN N#CCC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000594284118 358238624 /nfs/dbraw/zinc/23/86/24/358238624.db2.gz SDQOLAYEOCILPY-HZPDHXFCSA-N 0 3 304.438 2.339 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000594309837 358241523 /nfs/dbraw/zinc/24/15/23/358241523.db2.gz JWKOVKODDLJHRP-KEYYUXOJSA-N 0 3 311.429 2.478 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1F ZINC000594198129 358221636 /nfs/dbraw/zinc/22/16/36/358221636.db2.gz SGQNIYKHYBUYFZ-HZPDHXFCSA-N 0 3 301.365 2.444 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1F ZINC000594198127 358221759 /nfs/dbraw/zinc/22/17/59/358221759.db2.gz SGQNIYKHYBUYFZ-HOTGVXAUSA-N 0 3 301.365 2.444 20 30 DEEDHN N#Cc1cnc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594198261 358221909 /nfs/dbraw/zinc/22/19/09/358221909.db2.gz TZXRPAQDGWSHRT-ZIAGYGMSSA-N 0 3 318.808 2.353 20 30 DEEDHN Cc1ncncc1[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594493913 358283560 /nfs/dbraw/zinc/28/35/60/358283560.db2.gz ASPWRWYFEQZRIC-CQSZACIVSA-N 0 3 322.416 2.371 20 30 DEEDHN N#CCCCCS(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000594854636 358349104 /nfs/dbraw/zinc/34/91/04/358349104.db2.gz UKSOZMZKSNYZCC-AWEZNQCLSA-N 0 3 313.467 2.007 20 30 DEEDHN CS(=O)(=O)C1(CNCc2ccc(C#N)cc2)CCCCC1 ZINC000594975631 358372014 /nfs/dbraw/zinc/37/20/14/358372014.db2.gz YVXBZAHEIYLFDS-UHFFFAOYSA-N 0 3 306.431 2.395 20 30 DEEDHN CC(C)n1ccnc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594920467 358358624 /nfs/dbraw/zinc/35/86/24/358358624.db2.gz AJWNXZKMBKJRSY-UHFFFAOYSA-N 0 3 324.432 2.489 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000595258205 358407954 /nfs/dbraw/zinc/40/79/54/358407954.db2.gz SRUFZRQFSOMAFH-HZPDHXFCSA-N 0 3 319.380 2.137 20 30 DEEDHN C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000595411935 358442115 /nfs/dbraw/zinc/44/21/15/358442115.db2.gz PVDOCOKEERLTPT-NEWSRXKRSA-N 0 3 312.461 2.209 20 30 DEEDHN Cc1ccc2ncc(C#N)c(NCCCN3CCC(O)CC3)c2c1 ZINC000596086596 358607926 /nfs/dbraw/zinc/60/79/26/358607926.db2.gz SWMHCJZBMOTODR-UHFFFAOYSA-N 0 3 324.428 2.096 20 30 DEEDHN CN(C)CCn1cc(Nc2nc3ncccc3cc2C#N)cn1 ZINC000596098737 358610480 /nfs/dbraw/zinc/61/04/80/358610480.db2.gz SYFMGIKGDHPJNB-UHFFFAOYSA-N 0 3 307.361 2.003 20 30 DEEDHN C[C@@H](c1ccncc1)N1CCC(Nc2c(C#N)cnn2C)CC1 ZINC000596172816 358629714 /nfs/dbraw/zinc/62/97/14/358629714.db2.gz ZPLCOVCEGSYPPB-ZDUSSCGKSA-N 0 3 310.405 2.324 20 30 DEEDHN CS[C@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1N(C)C ZINC000596181305 358632951 /nfs/dbraw/zinc/63/29/51/358632951.db2.gz ZLWCKDMMDBDUNQ-IUCAKERBSA-N 0 3 302.856 2.150 20 30 DEEDHN CS[C@H]1CN(c2nc(C#N)ccc2C)C[C@H]1N1CCCC1 ZINC000596194981 358636531 /nfs/dbraw/zinc/63/65/31/358636531.db2.gz CJIJEJRKGIXZPC-CABCVRRESA-N 0 3 302.447 2.278 20 30 DEEDHN CN1CC=C(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618852621 363617334 /nfs/dbraw/zinc/61/73/34/363617334.db2.gz WHXRVWJRJOKCEI-KRWDZBQOSA-N 0 3 310.401 2.107 20 30 DEEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1COCCO1 ZINC000597206239 358853147 /nfs/dbraw/zinc/85/31/47/358853147.db2.gz NAJQEDWSYHSVBX-QGZVFWFLSA-N 0 3 304.390 2.216 20 30 DEEDHN CN(C)[C@]1(CNC(=O)CC2(C#N)CCCCC2)CCSC1 ZINC000597339122 358892687 /nfs/dbraw/zinc/89/26/87/358892687.db2.gz LQSXWXRANBKYRA-INIZCTEOSA-N 0 3 309.479 2.404 20 30 DEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ncc(C#N)cc1Cl ZINC000597605465 358961591 /nfs/dbraw/zinc/96/15/91/358961591.db2.gz PETAKBRTDDKDNC-GFCCVEGCSA-N 0 3 306.797 2.163 20 30 DEEDHN COC(=O)[C@H](C)[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598598019 359256041 /nfs/dbraw/zinc/25/60/41/359256041.db2.gz MFZYVRGLVBLPJN-BMFZPTHFSA-N 0 3 318.417 2.427 20 30 DEEDHN Cc1ccc2c(c1)nc(CNC[C@H](O)CC(C)(C)C#N)n2C ZINC000598723125 359305284 /nfs/dbraw/zinc/30/52/84/359305284.db2.gz FFINZLWYDMZNNH-CYBMUJFWSA-N 0 3 300.406 2.272 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000598622612 359263959 /nfs/dbraw/zinc/26/39/59/359263959.db2.gz RKHMXPVLZYWJSP-SJLPKXTDSA-N 0 3 315.461 2.493 20 30 DEEDHN CC(C)n1cc([C@@H]2OCC[C@H]2NC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598623005 359264079 /nfs/dbraw/zinc/26/40/79/359264079.db2.gz QUNPRTDFJXBUMV-OAGGEKHMSA-N 0 3 320.437 2.184 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000598621456 359264206 /nfs/dbraw/zinc/26/42/06/359264206.db2.gz WUKGTBTVENFWBG-CRAIPNDOSA-N 0 3 302.418 2.101 20 30 DEEDHN C[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000598622611 359264430 /nfs/dbraw/zinc/26/44/30/359264430.db2.gz RKHMXPVLZYWJSP-FUHWJXTLSA-N 0 3 315.461 2.493 20 30 DEEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1CO ZINC000598909768 359354838 /nfs/dbraw/zinc/35/48/38/359354838.db2.gz NKFLJIBVUAIFGJ-DJIMGWMZSA-N 0 3 300.402 2.236 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC000329846654 404469634 /nfs/dbraw/zinc/46/96/34/404469634.db2.gz PAWUGCSUFNPPHY-UPJWGTAASA-N 0 3 322.457 2.217 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000668370442 540655905 /nfs/dbraw/zinc/65/59/05/540655905.db2.gz XMPYNMDFPNZJBQ-GOSISDBHSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN1CCC(NC(=O)c2coc(-c3cccnc3)n2)CC1 ZINC000668368610 540655361 /nfs/dbraw/zinc/65/53/61/540655361.db2.gz BXKLHBITUSHRSI-UHFFFAOYSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C[C@H](O)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000668413998 540661749 /nfs/dbraw/zinc/66/17/49/540661749.db2.gz VNKKJBJQNPZCHN-INIZCTEOSA-N 0 3 322.836 2.311 20 30 DEEDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc(C#N)s2)C1 ZINC000281138921 216106280 /nfs/dbraw/zinc/10/62/80/216106280.db2.gz DPGBWXWMGIRXPP-MRXNPFEDSA-N 0 3 322.430 2.411 20 30 DEEDHN COc1cccc2c1OCCC[C@H]2NC1CCN(CC#N)CC1 ZINC000601267350 359986900 /nfs/dbraw/zinc/98/69/00/359986900.db2.gz KGBLAKKTKXRADJ-MRXNPFEDSA-N 0 3 315.417 2.486 20 30 DEEDHN C[C@@H](NS(=O)(=O)CCCN1CCCC1)c1ccc(C#N)cc1 ZINC000601303792 360000723 /nfs/dbraw/zinc/00/07/23/360000723.db2.gz IOGAAPDCXRZBBA-CQSZACIVSA-N 0 3 321.446 2.025 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000601889426 360183944 /nfs/dbraw/zinc/18/39/44/360183944.db2.gz RIAJURQGJHSWMK-JHJVBQTASA-N 0 3 307.275 2.308 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000602570508 360438500 /nfs/dbraw/zinc/43/85/00/360438500.db2.gz BANSTSZJYVKQDE-KGLIPLIRSA-N 0 3 307.438 2.074 20 30 DEEDHN CC(C)CC[C@H](N)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000602519439 360415150 /nfs/dbraw/zinc/41/51/50/360415150.db2.gz ZSTJAAHJJTUCFF-ZDUSSCGKSA-N 0 3 320.462 2.032 20 30 DEEDHN C[C@H](CNCc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000602533033 360421070 /nfs/dbraw/zinc/42/10/70/360421070.db2.gz KXJHBRJBLUZXPU-OAHLLOKOSA-N 0 3 306.413 2.490 20 30 DEEDHN N#Cc1cccc(CNCC2CCN(CC(F)(F)F)CC2)n1 ZINC000602627240 360464350 /nfs/dbraw/zinc/46/43/50/360464350.db2.gz UWDKMEFAWSPBRI-UHFFFAOYSA-N 0 3 312.339 2.317 20 30 DEEDHN C[C@@H]1OCC[C@@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000602770995 360545632 /nfs/dbraw/zinc/54/56/32/360545632.db2.gz BUPOSYCRQDVKCQ-DZGCQCFKSA-N 0 3 303.381 2.244 20 30 DEEDHN CC[C@@]1(O)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000602982802 360654244 /nfs/dbraw/zinc/65/42/44/360654244.db2.gz YNJSSQHBFVLHLP-OAHLLOKOSA-N 0 3 307.419 2.185 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)[C@@H]2C1 ZINC000603077294 360691684 /nfs/dbraw/zinc/69/16/84/360691684.db2.gz UOOBVEPUTGHCTK-IUODEOHRSA-N 0 3 302.353 2.255 20 30 DEEDHN COCc1cc(C#N)ccc1N1CCC(OCCN(C)C)CC1 ZINC000603292699 360780952 /nfs/dbraw/zinc/78/09/52/360780952.db2.gz OMCXFEJLSIUTLN-UHFFFAOYSA-N 0 3 317.433 2.252 20 30 DEEDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)c(F)c1 ZINC000271909438 209315556 /nfs/dbraw/zinc/31/55/56/209315556.db2.gz AEZBLMWSFVXDPK-LLVKDONJSA-N 0 3 310.394 2.173 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(CC#N)cc2)C1(C)C ZINC000444807250 238324771 /nfs/dbraw/zinc/32/47/71/238324771.db2.gz WEDRNAULYBJYKK-WMZOPIPTSA-N 0 3 302.418 2.408 20 30 DEEDHN C[C@H](CC#N)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000609142997 361283992 /nfs/dbraw/zinc/28/39/92/361283992.db2.gz BBRBRFWNKNYINL-GDBMZVCRSA-N 0 3 300.406 2.054 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609258162 361293438 /nfs/dbraw/zinc/29/34/38/361293438.db2.gz NLLWDAUBGWPDOM-QGZVFWFLSA-N 0 3 323.400 2.420 20 30 DEEDHN CCO[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000609432816 361311803 /nfs/dbraw/zinc/31/18/03/361311803.db2.gz UMJPHYDZJPIICS-ZDUSSCGKSA-N 0 3 307.419 2.449 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CCO)C1 ZINC000610140391 361362869 /nfs/dbraw/zinc/36/28/69/361362869.db2.gz JPSOWFIBKMQLIN-CQSZACIVSA-N 0 3 304.390 2.040 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610405530 361395112 /nfs/dbraw/zinc/39/51/12/361395112.db2.gz WDGZKSFWIWWWFE-CJNGLKHVSA-N 0 3 300.406 2.403 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000610653961 361437719 /nfs/dbraw/zinc/43/77/19/361437719.db2.gz ZKQAYROYFJQNFT-YDHLFZDLSA-N 0 3 313.401 2.067 20 30 DEEDHN C[C@@H](C#N)CN(C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000611091097 361526011 /nfs/dbraw/zinc/52/60/11/361526011.db2.gz DUCKJNKCCRPYAR-YJBOKZPZSA-N 0 3 301.434 2.103 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CNC1(CO)CCCCC1 ZINC000611462868 361603019 /nfs/dbraw/zinc/60/30/19/361603019.db2.gz HJTLQFLXQDLUSQ-UHFFFAOYSA-N 0 3 321.808 2.435 20 30 DEEDHN CN(CCNc1c(C#N)cnc2c(F)ccc(F)c21)C1CC1 ZINC000611370454 361586772 /nfs/dbraw/zinc/58/67/72/361586772.db2.gz JWMLCLSKBLQPAL-UHFFFAOYSA-N 0 3 302.328 2.313 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(F)CC2)cc1 ZINC000619457580 363802746 /nfs/dbraw/zinc/80/27/46/363802746.db2.gz YMHJMFKIALDXMW-CQSZACIVSA-N 0 3 303.312 2.498 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2(C#N)CC2)C1 ZINC000619534446 363819997 /nfs/dbraw/zinc/81/99/97/363819997.db2.gz GVGVDSCZNGTTIR-INIZCTEOSA-N 0 3 312.417 2.206 20 30 DEEDHN C=C[C@@H](NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)OC ZINC000619700942 363859523 /nfs/dbraw/zinc/85/95/23/363859523.db2.gz QQRCCWRTGPRVMV-DZGCQCFKSA-N 0 3 308.447 2.277 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)NC1(CN(C)C)CCC1 ZINC000619626963 363843811 /nfs/dbraw/zinc/84/38/11/363843811.db2.gz ZMZUPNHIUQAXAA-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](O)C(C)(C)C1 ZINC000275388224 212303422 /nfs/dbraw/zinc/30/34/22/212303422.db2.gz CHENFLLSMUKGEE-INIZCTEOSA-N 0 3 304.390 2.038 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449206052 240200799 /nfs/dbraw/zinc/20/07/99/240200799.db2.gz PBHUDRPMGOFEHV-CQSZACIVSA-N 0 3 301.390 2.155 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3cccc(C)c3O2)CC1 ZINC000449842666 241152607 /nfs/dbraw/zinc/15/26/07/241152607.db2.gz DRBPPBFMXMMZEX-MRXNPFEDSA-N 0 3 300.402 2.065 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc(CO)n1)C(C)C ZINC000631274289 368115916 /nfs/dbraw/zinc/11/59/16/368115916.db2.gz IHBJHSBFVHECNZ-CQSZACIVSA-N 0 3 323.462 2.064 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1(C)C ZINC000451501707 243035659 /nfs/dbraw/zinc/03/56/59/243035659.db2.gz GZDFDCRDDZYNOB-MPZWGZMNSA-N 0 3 309.454 2.078 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000451602255 243188636 /nfs/dbraw/zinc/18/86/36/243188636.db2.gz WXYWRJNCEAFJHV-MAZHCROVSA-N 0 3 306.381 2.106 20 30 DEEDHN C=CCCOCCCCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000678857169 541776685 /nfs/dbraw/zinc/77/66/85/541776685.db2.gz JAYQUKIJGWOUGO-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452535745 244368729 /nfs/dbraw/zinc/36/87/29/244368729.db2.gz RCOIDVKSWHSECJ-SKDRFNHKSA-N 0 3 300.280 2.405 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(CCOc1ccc(C#N)cc1)CC2 ZINC000265103217 204398405 /nfs/dbraw/zinc/39/84/05/204398405.db2.gz YDQCHQMWVSIUQX-INIZCTEOSA-N 0 3 314.385 2.212 20 30 DEEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000494270369 299430119 /nfs/dbraw/zinc/43/01/19/299430119.db2.gz HARVPTHKBRXXAH-RLFYNMQTSA-N 0 3 315.417 2.479 20 30 DEEDHN C=CCOCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000679589295 541880609 /nfs/dbraw/zinc/88/06/09/541880609.db2.gz MHGQEOGLMVXLFS-CQSZACIVSA-N 0 3 323.462 2.387 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CCCN1C ZINC000266440859 205348816 /nfs/dbraw/zinc/34/88/16/205348816.db2.gz XNDITBNTJBSGOD-CYBMUJFWSA-N 0 3 305.353 2.053 20 30 DEEDHN N#Cc1cc(Cl)ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000267377839 206022645 /nfs/dbraw/zinc/02/26/45/206022645.db2.gz LCGYYPPOJBOFBO-CYBMUJFWSA-N 0 3 305.809 2.370 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000680989355 542078993 /nfs/dbraw/zinc/07/89/93/542078993.db2.gz FICQOOMRCPUDDV-BQFCYCMXSA-N 0 3 316.445 2.330 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(CCOC)ccn2)CC1 ZINC000352581142 404470264 /nfs/dbraw/zinc/47/02/64/404470264.db2.gz RUAWGYOUIXMSQA-UHFFFAOYSA-N 0 3 318.421 2.042 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000493034508 249202614 /nfs/dbraw/zinc/20/26/14/249202614.db2.gz DYTFTPRPWURUGC-AGIUHOORSA-N 0 3 309.410 2.440 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C[C@@H](C)O)C1CCCCC1 ZINC000104683682 194026675 /nfs/dbraw/zinc/02/66/75/194026675.db2.gz BSKXOQHSTGKQMN-LSDHHAIUSA-N 0 3 309.454 2.010 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCCNC(=O)C(C)(C)C)CC1 ZINC000106037568 194181633 /nfs/dbraw/zinc/18/16/33/194181633.db2.gz JTTYVHKYNUUFHG-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN CN(C)[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000109807666 194288330 /nfs/dbraw/zinc/28/83/30/194288330.db2.gz VVQHAOSBJYMUGK-CQSZACIVSA-N 0 3 320.824 2.176 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccccc2OCC=C)CC1 ZINC000110423337 194329170 /nfs/dbraw/zinc/32/91/70/194329170.db2.gz VNBRUDDXEHBBJB-UHFFFAOYSA-N 0 3 312.413 2.213 20 30 DEEDHN CCOC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000058106994 184075563 /nfs/dbraw/zinc/07/55/63/184075563.db2.gz YLLAFLQBNZTFIQ-UHFFFAOYSA-N 0 3 301.390 2.388 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(Br)cc1C#N)N(C)C ZINC000294427035 224023956 /nfs/dbraw/zinc/02/39/56/224023956.db2.gz QCWOEBORHUFGGB-SECBINFHSA-N 0 3 310.195 2.001 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001422468947 1172616769 /nfs/dbraw/zinc/61/67/69/1172616769.db2.gz LKEPYHULNYVORV-UHFFFAOYSA-N 0 3 311.813 2.228 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000493209899 533046278 /nfs/dbraw/zinc/04/62/78/533046278.db2.gz SROYUUBXSRJWGM-CMDGGOBGSA-N 0 3 307.397 2.175 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCCC(C)(C)C#N)O1 ZINC000374687620 533056400 /nfs/dbraw/zinc/05/64/00/533056400.db2.gz SMQIILXIHVDCJP-KBXIAJHMSA-N 0 3 308.422 2.500 20 30 DEEDHN COc1cc[nH]c(=O)c1C(=O)NCC(C)(C)N1CCCCC1 ZINC000330595214 533070303 /nfs/dbraw/zinc/07/03/03/533070303.db2.gz UFYNUCKQKUZQPW-UHFFFAOYSA-N 0 3 307.394 2.365 20 30 DEEDHN C[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1cnn(C)c1 ZINC000330936537 533103384 /nfs/dbraw/zinc/10/33/84/533103384.db2.gz SLGAQSPPVPHUMJ-CQSZACIVSA-N 0 3 321.469 2.449 20 30 DEEDHN C[C@@H](NC(=O)Nc1cnn(CC(F)F)c1)C1=CCN(C)CC1 ZINC000330795068 533103956 /nfs/dbraw/zinc/10/39/56/533103956.db2.gz WLQVNXMKSWAQRE-SNVBAGLBSA-N 0 3 313.352 2.125 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2cccc(F)c2nc1C ZINC000491474475 533107448 /nfs/dbraw/zinc/10/74/48/533107448.db2.gz MYSPVWYFYHBKER-UHFFFAOYSA-N 0 3 313.376 2.367 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444527236 533112870 /nfs/dbraw/zinc/11/28/70/533112870.db2.gz RVBFKSHYGCDUGO-NSHDSACASA-N 0 3 302.765 2.020 20 30 DEEDHN COC(=O)C(C)(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000340742204 533130370 /nfs/dbraw/zinc/13/03/70/533130370.db2.gz PBLKWPSPSIOFLL-OAHLLOKOSA-N 0 3 316.401 2.464 20 30 DEEDHN CC(=O)N1CC[C@H](CN(C)CC#Cc2cccc(Cl)c2)C1 ZINC000156612279 197127405 /nfs/dbraw/zinc/12/74/05/197127405.db2.gz URPYUQBDHBIVES-MRXNPFEDSA-N 0 3 304.821 2.492 20 30 DEEDHN COC[C@@H]1CCCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000342746220 285261117 /nfs/dbraw/zinc/26/11/17/285261117.db2.gz FGQHZWWRVAKPKZ-BFYDXBDKSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000120569194 195192334 /nfs/dbraw/zinc/19/23/34/195192334.db2.gz GDAHNLMCMORGIW-LLVKDONJSA-N 0 3 307.344 2.298 20 30 DEEDHN C[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCC1(F)F ZINC000289684459 221152872 /nfs/dbraw/zinc/15/28/72/221152872.db2.gz GOXLZUHUWQIIIP-GXTWGEPZSA-N 0 3 310.344 2.275 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289721360 221178428 /nfs/dbraw/zinc/17/84/28/221178428.db2.gz CZQXKNNEPCEAJA-HOTGVXAUSA-N 0 3 316.792 2.389 20 30 DEEDHN C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H](C)C1 ZINC000289989932 221364194 /nfs/dbraw/zinc/36/41/94/221364194.db2.gz REJYHOTUFMZIAN-UMVBOHGHSA-N 0 3 321.446 2.141 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](OC)C[C@H]1C ZINC000441386900 533503863 /nfs/dbraw/zinc/50/38/63/533503863.db2.gz XJJZDMZWTVCFMT-HIFRSBDPSA-N 0 3 304.390 2.445 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1cc(C#N)ncn1 ZINC000562419494 291983671 /nfs/dbraw/zinc/98/36/71/291983671.db2.gz XLCHLYTXTDQELF-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c1F ZINC000562471267 291987014 /nfs/dbraw/zinc/98/70/14/291987014.db2.gz OVYPBCRRUNSNML-IAGOWNOFSA-N 0 3 317.408 2.430 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000685596182 542742311 /nfs/dbraw/zinc/74/23/11/542742311.db2.gz JEOSGKUZHQCOQU-HZPDHXFCSA-N 0 3 310.800 2.464 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000685658577 542749638 /nfs/dbraw/zinc/74/96/38/542749638.db2.gz VAGORLYNMLSRQK-IEBWSBKVSA-N 0 3 316.445 2.342 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2cccc(F)c2)s1 ZINC000355811645 133049992 /nfs/dbraw/zinc/04/99/92/133049992.db2.gz MKKOZHATMNTBOC-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc([S@@](C)=O)cc1 ZINC000359704434 133140279 /nfs/dbraw/zinc/14/02/79/133140279.db2.gz FTOCSVQFVHDGJT-LAJNKCICSA-N 0 3 301.415 2.485 20 30 DEEDHN Cc1ccc(CNCc2cc(C#N)n(C)c2)c(N2CCOCC2)c1 ZINC000359767419 133143771 /nfs/dbraw/zinc/14/37/71/133143771.db2.gz PECFKULDNFJMLJ-UHFFFAOYSA-N 0 3 324.428 2.332 20 30 DEEDHN N#Cc1ccncc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000362327541 133223908 /nfs/dbraw/zinc/22/39/08/133223908.db2.gz SVGBALAWZNQFHE-DLBZAZTESA-N 0 3 308.385 2.001 20 30 DEEDHN CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000562987745 292022351 /nfs/dbraw/zinc/02/23/51/292022351.db2.gz KEMDEUNOMNPUTJ-SFHVURJKSA-N 0 3 324.380 2.290 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000291675492 404474044 /nfs/dbraw/zinc/47/40/44/404474044.db2.gz BTRVDWUOTWCBFV-ZVZYQTTQSA-N 0 3 302.418 2.093 20 30 DEEDHN CCC(=O)N1CC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000329880750 404480985 /nfs/dbraw/zinc/48/09/85/404480985.db2.gz ABNHTMSEJCJAFB-DZGCQCFKSA-N 0 3 307.438 2.218 20 30 DEEDHN N#Cc1cccc(OCCN2CCS[C@H]3COCC[C@H]32)c1 ZINC000247345583 145134124 /nfs/dbraw/zinc/13/41/24/145134124.db2.gz XUDPXCRVGCWGCC-CVEARBPZSA-N 0 3 304.415 2.143 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000248972363 145174496 /nfs/dbraw/zinc/17/44/96/145174496.db2.gz CXCKXCFCPVNBBK-WMLDXEAASA-N 0 3 316.401 2.458 20 30 DEEDHN CC[C@H](C)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000320551615 145374696 /nfs/dbraw/zinc/37/46/96/145374696.db2.gz SGCQLCXQXOXRCC-HNNXBMFYSA-N 0 3 314.433 2.303 20 30 DEEDHN C[C@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1(F)F ZINC000359305832 147303597 /nfs/dbraw/zinc/30/35/97/147303597.db2.gz ZMNSLXLALXSNLY-WFASDCNBSA-N 0 3 321.371 2.350 20 30 DEEDHN N#Cc1cccc(OCCN[C@@H](CO)c2cccc(F)c2)c1 ZINC000359533278 147345378 /nfs/dbraw/zinc/34/53/78/147345378.db2.gz XLSJOGJZQRJIQI-KRWDZBQOSA-N 0 3 300.333 2.399 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000112560272 401749410 /nfs/dbraw/zinc/74/94/10/401749410.db2.gz GRTMMYVSGUPEPS-JZXOWHBKSA-N 0 3 318.465 2.251 20 30 DEEDHN CSc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000113360714 401776709 /nfs/dbraw/zinc/77/67/09/401776709.db2.gz JMLOUTYJNBALNN-FOCLMDBBSA-N 0 3 317.414 2.025 20 30 DEEDHN CCS[C@H]1CC[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000076068202 401780434 /nfs/dbraw/zinc/78/04/34/401780434.db2.gz PQBMMPKJISHIQD-YCPHGPKFSA-N 0 3 309.479 2.401 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087318086 401930490 /nfs/dbraw/zinc/93/04/90/401930490.db2.gz KJZBKKLKCBSYLH-UHFFFAOYSA-N 0 3 317.389 2.294 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000133314281 401881731 /nfs/dbraw/zinc/88/17/31/401881731.db2.gz WAYCSIDFMKGYCV-DZGCQCFKSA-N 0 3 320.458 2.022 20 30 DEEDHN CN(C)CCOc1ccccc1CNC(=O)C#Cc1ccccc1 ZINC000081616647 401897343 /nfs/dbraw/zinc/89/73/43/401897343.db2.gz DKQABCCBALBRHL-UHFFFAOYSA-N 0 3 322.408 2.295 20 30 DEEDHN CCN1CCN([C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000118532881 401899822 /nfs/dbraw/zinc/89/98/22/401899822.db2.gz BKNYTWVBMMXLFW-QFBILLFUSA-N 0 3 312.461 2.331 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118838031 401910349 /nfs/dbraw/zinc/91/03/49/401910349.db2.gz IXNJYGLNMZTKMK-ZDUSSCGKSA-N 0 3 312.417 2.433 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134908857 401919615 /nfs/dbraw/zinc/91/96/15/401919615.db2.gz JOMWOCZONGBPFD-SJLPKXTDSA-N 0 3 319.493 2.360 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000134924979 401920524 /nfs/dbraw/zinc/92/05/24/401920524.db2.gz YQXGBJOGTDXXEC-WMLDXEAASA-N 0 3 320.396 2.346 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc([C@H]3CCCO3)s2)CC1 ZINC000089819921 401966503 /nfs/dbraw/zinc/96/65/03/401966503.db2.gz YQCHANGFDRJWBJ-CYBMUJFWSA-N 0 3 321.446 2.375 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000046380494 401969680 /nfs/dbraw/zinc/96/96/80/401969680.db2.gz OPFAPZXTMFNLAQ-OAHLLOKOSA-N 0 3 314.433 2.432 20 30 DEEDHN N#Cc1cccc(OCCCN2CCOC3(CCOCC3)C2)c1 ZINC000135627161 401948445 /nfs/dbraw/zinc/94/84/45/401948445.db2.gz IOPORFQYTYXASJ-UHFFFAOYSA-N 0 3 316.401 2.209 20 30 DEEDHN CC(C)C[C@@H](CNCc1cc(C#N)cs1)N1CCOCC1 ZINC000093492230 402016286 /nfs/dbraw/zinc/01/62/86/402016286.db2.gz OJFWTKCGXIGWIC-HNNXBMFYSA-N 0 3 307.463 2.456 20 30 DEEDHN CN(C)C[C@@H](NC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000151169535 402021340 /nfs/dbraw/zinc/02/13/40/402021340.db2.gz NKIGOUHHKDTXEO-GOSISDBHSA-N 0 3 322.412 2.389 20 30 DEEDHN C=CCCS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000121276378 402025562 /nfs/dbraw/zinc/02/55/62/402025562.db2.gz OOHHPSKAROPFJT-RDJZCZTQSA-N 0 3 322.474 2.393 20 30 DEEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCN1CCCCC1 ZINC000151286805 402028171 /nfs/dbraw/zinc/02/81/71/402028171.db2.gz IBGKPIZPBSJCDP-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000121010484 402010539 /nfs/dbraw/zinc/01/05/39/402010539.db2.gz GLHJOGKBTXAOQV-QGZVFWFLSA-N 0 3 302.418 2.158 20 30 DEEDHN C=CCCOCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000122526775 402082570 /nfs/dbraw/zinc/08/25/70/402082570.db2.gz HMDIUPMQUSKSOA-UHFFFAOYSA-N 0 3 309.454 2.239 20 30 DEEDHN N#Cc1ccc(CN2CCCN(CC3=CCCOC3)CC2)cc1 ZINC000122833856 402097149 /nfs/dbraw/zinc/09/71/49/402097149.db2.gz HPXUNIZKCHMIHA-UHFFFAOYSA-N 0 3 311.429 2.413 20 30 DEEDHN CN(C(=O)/C=C/c1ccc(OCC#N)cc1)C1CCN(C)CC1 ZINC000068192330 402186526 /nfs/dbraw/zinc/18/65/26/402186526.db2.gz WADIKCSLJWMEQK-VMPITWQZSA-N 0 3 313.401 2.155 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC1CCN(C)CC1 ZINC000103453930 402189449 /nfs/dbraw/zinc/18/94/49/402189449.db2.gz KHOCKVVWCDXNAC-CQSZACIVSA-N 0 3 315.417 2.126 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCc1cccc(C#N)c1 ZINC000103511917 402191959 /nfs/dbraw/zinc/19/19/59/402191959.db2.gz KNSBVZMWRAWGTA-UHFFFAOYSA-N 0 3 300.406 2.041 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccn1C ZINC000068310403 402192669 /nfs/dbraw/zinc/19/26/69/402192669.db2.gz PZDDIRYKJIEJNU-UHFFFAOYSA-N 0 3 310.401 2.101 20 30 DEEDHN Cn1nnc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)ccc21 ZINC000103796238 402194368 /nfs/dbraw/zinc/19/43/68/402194368.db2.gz YXBFLJMINSDOAP-NSHDSACASA-N 0 3 316.324 2.335 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1OC ZINC000068342511 402194396 /nfs/dbraw/zinc/19/43/96/402194396.db2.gz ALQZAAOXKLOMPS-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000124055071 402161847 /nfs/dbraw/zinc/16/18/47/402161847.db2.gz DOTJYNPBXGXVBC-SFHVURJKSA-N 0 3 324.428 2.207 20 30 DEEDHN CCCCN1CCC(NS(=O)(=O)c2ccccc2C#N)CC1 ZINC000125204607 402219101 /nfs/dbraw/zinc/21/91/01/402219101.db2.gz DCAKMOVSUPDBOT-UHFFFAOYSA-N 0 3 321.446 2.101 20 30 DEEDHN C=CCN(C)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000154758355 402229969 /nfs/dbraw/zinc/22/99/69/402229969.db2.gz QYCRRTTXUPJWDH-UHFFFAOYSA-N 0 3 318.417 2.314 20 30 DEEDHN N#Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)nc1 ZINC000107446769 402232943 /nfs/dbraw/zinc/23/29/43/402232943.db2.gz RECYEONHLQZEDI-UHFFFAOYSA-N 0 3 320.396 2.131 20 30 DEEDHN CCN1CCC(n2nccc2NC(=O)c2ccc(C#N)cn2)CC1 ZINC000107766749 402240723 /nfs/dbraw/zinc/24/07/23/402240723.db2.gz ZAPHXFOQSIUXTC-UHFFFAOYSA-N 0 3 324.388 2.059 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1OC ZINC000108345682 402250336 /nfs/dbraw/zinc/25/03/36/402250336.db2.gz KBZCYVIEWBIMIF-AWEZNQCLSA-N 0 3 318.417 2.332 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(C)on2)CC1 ZINC000106275162 402212551 /nfs/dbraw/zinc/21/25/51/402212551.db2.gz QLKLZFOLWGYKEC-UHFFFAOYSA-N 0 3 306.410 2.165 20 30 DEEDHN CC(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2Cl)C1 ZINC000156636066 402286285 /nfs/dbraw/zinc/28/62/85/402286285.db2.gz WWKOUEUIIPAHPX-HNNXBMFYSA-N 0 3 304.821 2.492 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)CNc1cccc(C#N)c1 ZINC000160606475 402353678 /nfs/dbraw/zinc/35/36/78/402353678.db2.gz LTCQJPBNFRDSPP-KRWDZBQOSA-N 0 3 314.433 2.351 20 30 DEEDHN Cc1ccc(NC(=O)N[C@H](C)CC#N)c(OCCN(C)C)c1 ZINC000160677914 402356798 /nfs/dbraw/zinc/35/67/98/402356798.db2.gz KOQQTZLERAGDGU-CYBMUJFWSA-N 0 3 304.394 2.359 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC=C(COC)CC1 ZINC000185831309 402381126 /nfs/dbraw/zinc/38/11/26/402381126.db2.gz YYNSJOCNXVALIU-GOSISDBHSA-N 0 3 317.429 2.433 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC(CC(N)=O)CC2)c1 ZINC000159759483 402330299 /nfs/dbraw/zinc/33/02/99/402330299.db2.gz CLYYBNXLUNORJY-UHFFFAOYSA-N 0 3 315.417 2.457 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000186085714 402399667 /nfs/dbraw/zinc/39/96/67/402399667.db2.gz ZLICKPXPJJYOOO-PBHICJAKSA-N 0 3 317.433 2.399 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN(C2CCCCC2)CC1 ZINC000163069031 402440753 /nfs/dbraw/zinc/44/07/53/402440753.db2.gz RVCQASFNFCPYMU-UHFFFAOYSA-N 0 3 307.482 2.361 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc[nH]1 ZINC000187219070 402488793 /nfs/dbraw/zinc/48/87/93/402488793.db2.gz HBAAUSBZGJGIEF-MDZDMXLPSA-N 0 3 322.412 2.490 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](OC)C1 ZINC000246061963 402506607 /nfs/dbraw/zinc/50/66/07/402506607.db2.gz APIOAKMLDIHBES-IAGOWNOFSA-N 0 3 305.418 2.266 20 30 DEEDHN N#Cc1ccc(N2CCN(CCCCCn3cccn3)CC2)nc1 ZINC000170913791 402541366 /nfs/dbraw/zinc/54/13/66/402541366.db2.gz KWRUINNIIIAQCA-UHFFFAOYSA-N 0 3 324.432 2.142 20 30 DEEDHN C=C(C)CS(=O)(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000189583027 402547011 /nfs/dbraw/zinc/54/70/11/402547011.db2.gz QHJGFWTVAAIYKH-UHFFFAOYSA-N 0 3 310.463 2.476 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000190016240 402570700 /nfs/dbraw/zinc/57/07/00/402570700.db2.gz GPGSDTXWBNSZPN-NVXWUHKLSA-N 0 3 306.381 2.353 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000170730827 402517937 /nfs/dbraw/zinc/51/79/37/402517937.db2.gz JKWFLMUUFGOCNQ-UHFFFAOYSA-N 0 3 310.357 2.020 20 30 DEEDHN CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1C[C@@H](C)O ZINC000246262858 402521657 /nfs/dbraw/zinc/52/16/57/402521657.db2.gz AFVIMZKZOVHNCI-IIDMSEBBSA-N 0 3 301.434 2.396 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CCCOC1 ZINC000246321566 402524668 /nfs/dbraw/zinc/52/46/68/402524668.db2.gz IHNZAEDIVLTYMH-UKRRQHHQSA-N 0 3 301.390 2.244 20 30 DEEDHN CCN(CCC(=O)Nc1ccccc1C#N)Cc1cnn(C)c1 ZINC000171655372 402606209 /nfs/dbraw/zinc/60/62/09/402606209.db2.gz ZDFWNLUXJAZVFQ-UHFFFAOYSA-N 0 3 311.389 2.142 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(OC)c(C)c(OC)c2)CC1 ZINC000171726841 402615027 /nfs/dbraw/zinc/61/50/27/402615027.db2.gz ORBJAVXLZLFPNI-UHFFFAOYSA-N 0 3 318.417 2.392 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccccc2CC)CC1 ZINC000171727424 402615626 /nfs/dbraw/zinc/61/56/26/402615626.db2.gz VBLSFWZLBUEZRO-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000180450122 402616709 /nfs/dbraw/zinc/61/67/09/402616709.db2.gz XGQOFVKNBCEMHM-GFCCVEGCSA-N 0 3 304.350 2.008 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000171739588 402616895 /nfs/dbraw/zinc/61/68/95/402616895.db2.gz OOWRFSVLKRMZAS-UHFFFAOYSA-N 0 3 312.417 2.350 20 30 DEEDHN N#Cc1cccc(OCCCCC(=O)NCCN2CCCC2)c1 ZINC000171880136 402631334 /nfs/dbraw/zinc/63/13/34/402631334.db2.gz QRAQTHFTOBHEBU-UHFFFAOYSA-N 0 3 315.417 2.319 20 30 DEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1 ZINC000180882356 402629168 /nfs/dbraw/zinc/62/91/68/402629168.db2.gz VSESCGUYUMOKPI-YZSSSTSJSA-N 0 3 303.337 2.003 20 30 DEEDHN Cn1cc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1C#N ZINC000191060391 402639388 /nfs/dbraw/zinc/63/93/88/402639388.db2.gz NVOOFXCHZUPOGO-MRXNPFEDSA-N 0 3 305.328 2.172 20 30 DEEDHN C[C@@H](CNC(=O)/C=C\c1ccc(OCC#N)cc1)N(C)C1CC1 ZINC000255693697 402694285 /nfs/dbraw/zinc/69/42/85/402694285.db2.gz WLDIAKMKPBVNPG-MFNCVGGLSA-N 0 3 313.401 2.201 20 30 DEEDHN N#Cc1ccc(CNCC2(N3CCOCC3)CCCCC2)o1 ZINC000174241147 402733310 /nfs/dbraw/zinc/73/33/10/402733310.db2.gz DPSKOBJAQVFVSX-UHFFFAOYSA-N 0 3 303.406 2.276 20 30 DEEDHN N#CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000263692415 402791742 /nfs/dbraw/zinc/79/17/42/402791742.db2.gz IUPNABCDVIMCRE-AWEZNQCLSA-N 0 3 311.307 2.081 20 30 DEEDHN C=C(C)CN(CC)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000175981695 402846092 /nfs/dbraw/zinc/84/60/92/402846092.db2.gz HAWPONVOWQHDEE-KRWDZBQOSA-N 0 3 303.450 2.304 20 30 DEEDHN CCNC(=O)COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000278268867 402862452 /nfs/dbraw/zinc/86/24/52/402862452.db2.gz OTEZDWHPNMLDPH-HOCLYGCPSA-N 0 3 315.417 2.373 20 30 DEEDHN COC[C@H](NCc1ccc(N(C)CCC#N)cc1)[C@@H]1CCCO1 ZINC000278543633 402868053 /nfs/dbraw/zinc/86/80/53/402868053.db2.gz AHSDSRQMSOGXRH-ROUUACIJSA-N 0 3 317.433 2.320 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(N3CCOCC3)n2)C1 ZINC000278680448 402869571 /nfs/dbraw/zinc/86/95/71/402869571.db2.gz JUZGBPMSSZFVSE-HUUCEWRRSA-N 0 3 300.406 2.090 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2c(F)cccc2F)CC1 ZINC000264391805 402874229 /nfs/dbraw/zinc/87/42/29/402874229.db2.gz KQKQEEODHIQERU-UHFFFAOYSA-N 0 3 323.387 2.457 20 30 DEEDHN COCCN(CCC(=O)N(C)CCC#N)[C@@H](C)c1ccccc1 ZINC000271624713 402881916 /nfs/dbraw/zinc/88/19/16/402881916.db2.gz XPXYIWXTLJUBQX-INIZCTEOSA-N 0 3 317.433 2.458 20 30 DEEDHN CCN1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000278891648 402882431 /nfs/dbraw/zinc/88/24/31/402882431.db2.gz DSDVRNSHSXZHJY-UHFFFAOYSA-N 0 3 324.384 2.427 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000264485966 402883163 /nfs/dbraw/zinc/88/31/63/402883163.db2.gz RKVCMCDWNAXBRC-RYUDHWBXSA-N 0 3 303.366 2.394 20 30 DEEDHN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)CC1=O ZINC000271901733 402885325 /nfs/dbraw/zinc/88/53/25/402885325.db2.gz VSTIPURCXTUHHO-ZFWWWQNUSA-N 0 3 301.390 2.249 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000278932342 402887200 /nfs/dbraw/zinc/88/72/00/402887200.db2.gz TUFOCOAFKJYJOA-LJQANCHMSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C/c1cnccn1)C(C)C ZINC000264939303 402893166 /nfs/dbraw/zinc/89/31/66/402893166.db2.gz VIMKQVNXVMLXKE-IWAYRVGRSA-N 0 3 314.433 2.305 20 30 DEEDHN Cn1cc(CNCCOCC2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272141566 402902253 /nfs/dbraw/zinc/90/22/53/402902253.db2.gz KCGZHTRZXPUYDE-UHFFFAOYSA-N 0 3 310.401 2.475 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 ZINC000265657559 402937321 /nfs/dbraw/zinc/93/73/21/402937321.db2.gz ZKLAZPGBCXULLN-ZDUSSCGKSA-N 0 3 304.459 2.449 20 30 DEEDHN CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1O ZINC000272469422 402941266 /nfs/dbraw/zinc/94/12/66/402941266.db2.gz RPYRPEYCOPNBAE-RHSMWYFYSA-N 0 3 310.401 2.161 20 30 DEEDHN CN(C)C(=O)CC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000272688432 402959697 /nfs/dbraw/zinc/95/96/97/402959697.db2.gz DODPSSWFGZOESZ-UHFFFAOYSA-N 0 3 315.417 2.279 20 30 DEEDHN C[C@H](NC(=O)Nc1cccc(OCC#N)c1)C1=CCN(C)CC1 ZINC000272852281 402960726 /nfs/dbraw/zinc/96/07/26/402960726.db2.gz HLKVTAXGNVWGOD-ZDUSSCGKSA-N 0 3 314.389 2.361 20 30 DEEDHN C[C@]1(NCC(=O)Nc2sccc2C#N)CCO[C@H]1C1CC1 ZINC000273042644 402965647 /nfs/dbraw/zinc/96/56/47/402965647.db2.gz IVZGQTKNOYMLAP-ZFWWWQNUSA-N 0 3 305.403 2.105 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(c3nc(C)cs3)CCC2)CC1 ZINC000265350432 402911932 /nfs/dbraw/zinc/91/19/32/402911932.db2.gz XMAYXVXWCQNFFJ-UHFFFAOYSA-N 0 3 317.458 2.292 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279221655 402918157 /nfs/dbraw/zinc/91/81/57/402918157.db2.gz NQJICMZUDMPNIJ-SFHVURJKSA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2ncc[nH]2)CC1 ZINC000266749968 402988383 /nfs/dbraw/zinc/98/83/83/402988383.db2.gz NRZQEOOAFIKMAG-AWEZNQCLSA-N 0 3 302.422 2.178 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000280555025 403012507 /nfs/dbraw/zinc/01/25/07/403012507.db2.gz JQAOQFPEKBFWEY-WBVHZDCISA-N 0 3 322.474 2.393 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Br)cnn1C ZINC000280568383 403013961 /nfs/dbraw/zinc/01/39/61/403013961.db2.gz GLBGFWQIIUUZIS-MFKMUULPSA-N 0 3 314.227 2.253 20 30 DEEDHN C#CCOc1ccccc1CNC[C@@]1(N(C)C)CCSC1 ZINC000267147414 403019805 /nfs/dbraw/zinc/01/98/05/403019805.db2.gz ZBRHSRHPCGFEGK-KRWDZBQOSA-N 0 3 304.459 2.226 20 30 DEEDHN Cc1cc[nH]c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000280708712 403028849 /nfs/dbraw/zinc/02/88/49/403028849.db2.gz HLUPLPANKBSLLU-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN C[C@]1(C(N)=O)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000280764409 403034408 /nfs/dbraw/zinc/03/44/08/403034408.db2.gz OMNGXKOTFHPUSA-HNNXBMFYSA-N 0 3 310.319 2.254 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1 ZINC000274421790 403054215 /nfs/dbraw/zinc/05/42/15/403054215.db2.gz DLJKMHCECLLQGB-INIZCTEOSA-N 0 3 300.402 2.301 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000281068389 403058010 /nfs/dbraw/zinc/05/80/10/403058010.db2.gz ZROLBBKJJGSZRC-MSOLQXFVSA-N 0 3 324.428 2.231 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000268187479 403059227 /nfs/dbraw/zinc/05/92/27/403059227.db2.gz HEIFNILDMYPWSB-WBMJQRKESA-N 0 3 315.442 2.249 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000268187478 403059396 /nfs/dbraw/zinc/05/93/96/403059396.db2.gz HEIFNILDMYPWSB-MLGOLLRUSA-N 0 3 315.442 2.249 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCc2ccccc2OC)C1=O ZINC000281375367 403067083 /nfs/dbraw/zinc/06/70/83/403067083.db2.gz OUDWYTZQNSLBLY-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN CC(C)(CO)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281431653 403068544 /nfs/dbraw/zinc/06/85/44/403068544.db2.gz DQMZEUVSWOIDOD-INIZCTEOSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCN1CCC(Nc2ccc3nnc(C(C)(C)C)n3n2)CC1 ZINC000274776942 403086761 /nfs/dbraw/zinc/08/67/61/403086761.db2.gz COLHKBBRMGTVDU-UHFFFAOYSA-N 0 3 314.437 2.484 20 30 DEEDHN Cc1noc([C@@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000268637908 403101811 /nfs/dbraw/zinc/10/18/11/403101811.db2.gz CVGOZXMELASDEM-HZPDHXFCSA-N 0 3 312.373 2.163 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000268683335 403106018 /nfs/dbraw/zinc/10/60/18/403106018.db2.gz XUQCFSPXPHEQFI-QGZVFWFLSA-N 0 3 320.408 2.301 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccc(OC)cc3)C2)C1=O ZINC000282005489 403112537 /nfs/dbraw/zinc/11/25/37/403112537.db2.gz NXDAETCNXMFQAV-DOTOQJQBSA-N 0 3 300.402 2.271 20 30 DEEDHN C=CCN1CC[C@@H](N(C)[C@@H]2CCCN(c3ccccc3)C2)C1=O ZINC000282058000 403117847 /nfs/dbraw/zinc/11/78/47/403117847.db2.gz RZSBEABSSFJSRX-QZTJIDSGSA-N 0 3 313.445 2.374 20 30 DEEDHN O=C1CC[C@@H](NCC#Cc2cccc(Cl)c2)C2(CCC2)N1 ZINC000282767244 403159425 /nfs/dbraw/zinc/15/94/25/403159425.db2.gz LKAOVJFJNXOWCF-OAHLLOKOSA-N 0 3 302.805 2.482 20 30 DEEDHN CN(C)CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283094243 403170831 /nfs/dbraw/zinc/17/08/31/403170831.db2.gz VWLIAVZMJIFUPD-UHFFFAOYSA-N 0 3 316.283 2.140 20 30 DEEDHN C=CCOc1ccc(CNCC2([S@](C)=O)CC2)cc1OC ZINC000282407972 403150913 /nfs/dbraw/zinc/15/09/13/403150913.db2.gz PYZLIKIFJUNZCJ-NRFANRHFSA-N 0 3 309.431 2.261 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000276249305 403157695 /nfs/dbraw/zinc/15/76/95/403157695.db2.gz LWCPBTJRNHIBDV-GFCCVEGCSA-N 0 3 305.809 2.257 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1C1CC1 ZINC000277487818 403222680 /nfs/dbraw/zinc/22/26/80/403222680.db2.gz RNWIXUKNJMDBMJ-ZDUSSCGKSA-N 0 3 301.350 2.290 20 30 DEEDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1C#N ZINC000285431500 403294933 /nfs/dbraw/zinc/29/49/33/403294933.db2.gz HKANSAJRJOCSNF-RHSMWYFYSA-N 0 3 315.417 2.350 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277655627 403241441 /nfs/dbraw/zinc/24/14/41/403241441.db2.gz DJBFRKTWEDAFRJ-BVGQSLNGSA-N 0 3 310.401 2.061 20 30 DEEDHN C#CCOc1ccccc1CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000271170509 403272821 /nfs/dbraw/zinc/27/28/21/403272821.db2.gz HQYCSXWMTNICOK-INIZCTEOSA-N 0 3 313.397 2.474 20 30 DEEDHN Cc1cc(C)c(C#N)c(NCCCN2CCCO[C@H](C)C2)n1 ZINC000278013092 403279551 /nfs/dbraw/zinc/27/95/51/403279551.db2.gz MFGXESCXOLRXLF-OAHLLOKOSA-N 0 3 302.422 2.483 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000285331862 403280899 /nfs/dbraw/zinc/28/08/99/403280899.db2.gz JVFRVNXPXZKHIX-UHFFFAOYSA-N 0 3 301.365 2.468 20 30 DEEDHN CC1CCC(O)(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292075859 403284930 /nfs/dbraw/zinc/28/49/30/403284930.db2.gz DDAZXKBIEMIFNS-BFHRDPOASA-N 0 3 315.417 2.348 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCOC[C@@H](C2CCC2)C1 ZINC000292133455 403302499 /nfs/dbraw/zinc/30/24/99/403302499.db2.gz LOMUNOFSPKWJFD-WBVHZDCISA-N 0 3 306.450 2.324 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000342628023 403288085 /nfs/dbraw/zinc/28/80/85/403288085.db2.gz YRNVSFDKCDQLSE-AWEZNQCLSA-N 0 3 303.381 2.246 20 30 DEEDHN Cc1cc(CNCCn2cnc(C#N)n2)cc(C)c1OC(F)F ZINC000285412756 403291290 /nfs/dbraw/zinc/29/12/90/403291290.db2.gz FZTNLXWCVPAQSR-UHFFFAOYSA-N 0 3 321.331 2.158 20 30 DEEDHN CC(C)[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCCO1 ZINC000293137930 403397745 /nfs/dbraw/zinc/39/77/45/403397745.db2.gz NHVITRPKUSPUSI-FUHWJXTLSA-N 0 3 318.417 2.045 20 30 DEEDHN C#CCSCCNCc1ccccc1N1CCO[C@H](C)C1 ZINC000298551430 403411879 /nfs/dbraw/zinc/41/18/79/403411879.db2.gz UVJNHGYZXBYSTK-OAHLLOKOSA-N 0 3 304.459 2.368 20 30 DEEDHN CCN(Cc1ccncc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000298677374 403437294 /nfs/dbraw/zinc/43/72/94/403437294.db2.gz MFPLXHWBEJSPST-QGZVFWFLSA-N 0 3 311.385 2.215 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cncs1 ZINC000298746181 403454215 /nfs/dbraw/zinc/45/42/15/403454215.db2.gz NLAWAHDVVTUBNM-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000345753595 403470299 /nfs/dbraw/zinc/47/02/99/403470299.db2.gz BTIHTPHEXQBPNX-LBPRGKRZSA-N 0 3 308.341 2.110 20 30 DEEDHN CCOc1ccc(C2(CNC(=O)C(C)C#N)CCOCC2)cc1 ZINC000345764991 403474686 /nfs/dbraw/zinc/47/46/86/403474686.db2.gz OMGGODONPQQFLL-AWEZNQCLSA-N 0 3 316.401 2.409 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293529751 403496497 /nfs/dbraw/zinc/49/64/97/403496497.db2.gz ZVOIUPUFJFLHFI-UHFFFAOYSA-N 0 3 302.422 2.036 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@H](C)Cc1ccccc1OC ZINC000293872507 403587528 /nfs/dbraw/zinc/58/75/28/403587528.db2.gz BWFGAYNZCGIPTP-MRXNPFEDSA-N 0 3 316.445 2.335 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000293897976 403593348 /nfs/dbraw/zinc/59/33/48/403593348.db2.gz GXOVDCXHEBACHI-LJQANCHMSA-N 0 3 312.413 2.257 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000332697420 403601246 /nfs/dbraw/zinc/60/12/46/403601246.db2.gz YNVMQGXDMHRJCZ-WLIAPVHPSA-N 0 3 304.438 2.098 20 30 DEEDHN C=CCOCCN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000293773717 403560826 /nfs/dbraw/zinc/56/08/26/403560826.db2.gz LDYILQHQUBIJTB-HNNXBMFYSA-N 0 3 303.406 2.243 20 30 DEEDHN CC[C@H]1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CCO1 ZINC000332381736 403566747 /nfs/dbraw/zinc/56/67/47/403566747.db2.gz HFCLMNDUBSFSAN-RDJZCZTQSA-N 0 3 314.433 2.280 20 30 DEEDHN CC(C)(CNC(=O)NCCC#N)N1CCc2ccccc2C1 ZINC000332729113 403608364 /nfs/dbraw/zinc/60/83/64/403608364.db2.gz QSDJAXXWMQMICH-UHFFFAOYSA-N 0 3 300.406 2.036 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OCC)c(OCC)c1 ZINC000293943506 403605899 /nfs/dbraw/zinc/60/58/99/403605899.db2.gz JIMIYCIMMMOCCF-UHFFFAOYSA-N 0 3 318.417 2.169 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000293946914 403606181 /nfs/dbraw/zinc/60/61/81/403606181.db2.gz JPWXMKMPWXVFTI-UHFFFAOYSA-N 0 3 323.396 2.139 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000347109538 403616612 /nfs/dbraw/zinc/61/66/12/403616612.db2.gz PRQOTMACLFWMDR-WDEREUQCSA-N 0 3 322.206 2.304 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1SCCc2sccc21 ZINC000294017822 403625106 /nfs/dbraw/zinc/62/51/06/403625106.db2.gz QFXBSAUMCJCFIA-AWEZNQCLSA-N 0 3 308.472 2.150 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000294092947 403645827 /nfs/dbraw/zinc/64/58/27/403645827.db2.gz XQCFDOPOLSMAHR-UHFFFAOYSA-N 0 3 318.417 2.167 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(OC)c(Cl)c1 ZINC000294087359 403644748 /nfs/dbraw/zinc/64/47/48/403644748.db2.gz XFAPMSVSWQQDTB-UHFFFAOYSA-N 0 3 322.836 2.353 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301725323 403670276 /nfs/dbraw/zinc/67/02/76/403670276.db2.gz PNUFYJPTOCGHKV-OAHLLOKOSA-N 0 3 316.361 2.132 20 30 DEEDHN COc1cc(C#N)ccc1CN1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000343635795 403672191 /nfs/dbraw/zinc/67/21/91/403672191.db2.gz ALDCVCSLXBQZML-ZBFHGGJFSA-N 0 3 305.447 2.044 20 30 DEEDHN CC#CCCCC(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000343730136 403709683 /nfs/dbraw/zinc/70/96/83/403709683.db2.gz RLCPYSQBZRBSIY-INIZCTEOSA-N 0 3 318.417 2.120 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000295284792 403830680 /nfs/dbraw/zinc/83/06/80/403830680.db2.gz HZBRLRDTRXSNQR-HNNXBMFYSA-N 0 3 312.413 2.255 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1C ZINC000341205553 403832431 /nfs/dbraw/zinc/83/24/31/403832431.db2.gz QUYORDUVMYEUCW-CJNGLKHVSA-N 0 3 300.406 2.182 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000354601881 403896766 /nfs/dbraw/zinc/89/67/66/403896766.db2.gz WGJNNDGXLXJYOX-HIFRSBDPSA-N 0 3 321.446 2.052 20 30 DEEDHN CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(C)C#N ZINC000347749356 403842971 /nfs/dbraw/zinc/84/29/71/403842971.db2.gz CDFKWAJXBDNSFE-CQSZACIVSA-N 0 3 300.406 2.306 20 30 DEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411571190 403899134 /nfs/dbraw/zinc/89/91/34/403899134.db2.gz GSVADWISDQLSNI-UHFFFAOYSA-N 0 3 317.433 2.324 20 30 DEEDHN Cc1onc(CC(=O)Nc2cc(CN(C)C)ccc2C)c1C#N ZINC000354555003 403874823 /nfs/dbraw/zinc/87/48/23/403874823.db2.gz UPGPGASRPAIDRX-UHFFFAOYSA-N 0 3 312.373 2.406 20 30 DEEDHN CN(C)C[C@H]1CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000362497166 403960523 /nfs/dbraw/zinc/96/05/23/403960523.db2.gz GYGNAEPOHCHZIJ-CQSZACIVSA-N 0 3 303.431 2.468 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000354607656 403902211 /nfs/dbraw/zinc/90/22/11/403902211.db2.gz RACXHZVFEJAGEM-ZFWWWQNUSA-N 0 3 321.446 2.052 20 30 DEEDHN C[C@H](NC(=O)Cc1c(F)cccc1C#N)C1=CCN(C)CC1 ZINC000354637724 403920795 /nfs/dbraw/zinc/92/07/95/403920795.db2.gz SVJUDFNOUBIVGC-LBPRGKRZSA-N 0 3 301.365 2.006 20 30 DEEDHN C=CCC[C@@H](O)CN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000362137191 403930134 /nfs/dbraw/zinc/93/01/34/403930134.db2.gz OITSCBMEPWLKFI-NVXWUHKLSA-N 0 3 303.402 2.476 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000295465404 403940751 /nfs/dbraw/zinc/94/07/51/403940751.db2.gz YVTSOQMVRAMPNF-JZXOWHBKSA-N 0 3 314.429 2.052 20 30 DEEDHN C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000305881974 403948576 /nfs/dbraw/zinc/94/85/76/403948576.db2.gz VOERDNBVPPSBJF-BFKWJSRZSA-N 0 3 321.465 2.008 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)[C@@H]2C1 ZINC000347975547 403988289 /nfs/dbraw/zinc/98/82/89/403988289.db2.gz SRQYGYKBRDPVTF-KZNAEPCWSA-N 0 3 311.429 2.312 20 30 DEEDHN C=CCOCCCN1CCN(CCOc2ccccc2)CC1 ZINC000347976064 403989561 /nfs/dbraw/zinc/98/95/61/403989561.db2.gz XYSHRDHRLSHSST-UHFFFAOYSA-N 0 3 304.434 2.276 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(C(=O)N(C)C)c2)nc(C)n1 ZINC000348553048 404078563 /nfs/dbraw/zinc/07/85/63/404078563.db2.gz HPQFUEPHLZPBHL-OAHLLOKOSA-N 0 3 322.368 2.285 20 30 DEEDHN CC(C)(C#N)CCCN1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000363115342 404079175 /nfs/dbraw/zinc/07/91/75/404079175.db2.gz YOTXYTUUQUMPNR-CQSZACIVSA-N 0 3 309.479 2.356 20 30 DEEDHN C=CCN(CCOC)CCC(=O)N1CCCc2ccccc21 ZINC000348215095 404050624 /nfs/dbraw/zinc/05/06/24/404050624.db2.gz ZTKSZVXNKGQOKM-UHFFFAOYSA-N 0 3 302.418 2.490 20 30 DEEDHN CN(CC[C@H]1CCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348512070 404073605 /nfs/dbraw/zinc/07/36/05/404073605.db2.gz TYUMKLQLLRVZOQ-IAGOWNOFSA-N 0 3 311.385 2.268 20 30 DEEDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)C1(C)C ZINC000412076421 404115362 /nfs/dbraw/zinc/11/53/62/404115362.db2.gz NTQDVPDKYIMOAZ-PMUMKWKESA-N 0 3 321.465 2.367 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](CO)[C@H]1C ZINC000412095123 404129259 /nfs/dbraw/zinc/12/92/59/404129259.db2.gz SRYFXWUMTTYBOV-BPQIPLTHSA-N 0 3 319.445 2.248 20 30 DEEDHN CCN1CCCN(C(=O)Nc2nccn2-c2ccccc2)CC1 ZINC000328729064 404140826 /nfs/dbraw/zinc/14/08/26/404140826.db2.gz FFZFHSITNWHRDA-UHFFFAOYSA-N 0 3 313.405 2.445 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2coc(C3CCOCC3)n2)CN1C1CC1 ZINC000328732814 404141202 /nfs/dbraw/zinc/14/12/02/404141202.db2.gz HJAPIUYUAOOECX-YPMHNXCESA-N 0 3 319.405 2.498 20 30 DEEDHN Cn1cncc1[C@@H]1C[C@H](NC(=O)C23CCCN2CCC3)CCO1 ZINC000328782511 404149124 /nfs/dbraw/zinc/14/91/24/404149124.db2.gz NFJRVQTUQZRJCT-HIFRSBDPSA-N 0 3 318.421 2.225 20 30 DEEDHN C=CCN1CC[C@H](N2CCC(C(C)(C)C(=O)OCC)CC2)C1=O ZINC000352203247 404211754 /nfs/dbraw/zinc/21/17/54/404211754.db2.gz QEKPFZHTFCBOSH-HNNXBMFYSA-N 0 3 322.449 2.075 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000290423384 404163408 /nfs/dbraw/zinc/16/34/08/404163408.db2.gz KUYHVLUUGPTHNL-KRWDZBQOSA-N 0 3 312.413 2.143 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)C1CC(OC)C1 ZINC000352201803 404209258 /nfs/dbraw/zinc/20/92/58/404209258.db2.gz HCZWNQPVTGOEAP-AQFXKWCLSA-N 0 3 305.418 2.264 20 30 DEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000329133231 404239943 /nfs/dbraw/zinc/23/99/43/404239943.db2.gz YXHQZPIZBYBPKJ-NSHDSACASA-N 0 3 316.409 2.168 20 30 DEEDHN CCc1cnccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000567379388 292309943 /nfs/dbraw/zinc/30/99/43/292309943.db2.gz BDZOJKSBHRGPEE-QGZVFWFLSA-N 0 3 311.385 2.045 20 30 DEEDHN Cc1nc(C2CC2)oc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000329511641 404361154 /nfs/dbraw/zinc/36/11/54/404361154.db2.gz KRKWBKLKNNIUOC-LBPRGKRZSA-N 0 3 320.437 2.049 20 30 DEEDHN COC(=O)c1nc([C@H]2CCCN2C(=O)C(C)C#N)sc1C ZINC000352402676 404345899 /nfs/dbraw/zinc/34/58/99/404345899.db2.gz WSWXEFZUSPLSBB-WCBMZHEXSA-N 0 3 307.375 2.061 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccccc1C1CC1 ZINC000350223420 404349062 /nfs/dbraw/zinc/34/90/62/404349062.db2.gz SQQVXIZDOYXRGO-GFCCVEGCSA-N 0 3 307.415 2.170 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000296871022 404350401 /nfs/dbraw/zinc/35/04/01/404350401.db2.gz LAQWZHUJQNPIMA-SFHVURJKSA-N 0 3 313.445 2.216 20 30 DEEDHN C[C@@H](NC(=O)NCCOC1CCCCC1)C1=CCN(C)CC1 ZINC000329483755 404351280 /nfs/dbraw/zinc/35/12/80/404351280.db2.gz FIENTQOVJOCUQU-CQSZACIVSA-N 0 3 309.454 2.490 20 30 DEEDHN O=C(CNC1(CO)CCOCC1)NC1(c2ccccc2)CCC1 ZINC000329388435 404322580 /nfs/dbraw/zinc/32/25/80/404322580.db2.gz UAZXSAUFGWSTLM-UHFFFAOYSA-N 0 3 318.417 2.153 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000355318876 404323213 /nfs/dbraw/zinc/32/32/13/404323213.db2.gz ROWIBHXIBDMQET-YOEHRIQHSA-N 0 3 318.417 2.173 20 30 DEEDHN CC(C)N1CCCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000352429628 404365944 /nfs/dbraw/zinc/36/59/44/404365944.db2.gz ZTMBYZLTTAFGIM-UHFFFAOYSA-N 0 3 303.381 2.183 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1Cc2cccc(Cl)c2C1 ZINC000297074103 404438388 /nfs/dbraw/zinc/43/83/88/404438388.db2.gz YXMYRAJYHONSOH-UHFFFAOYSA-N 0 3 305.809 2.320 20 30 DEEDHN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329820165 404461603 /nfs/dbraw/zinc/46/16/03/404461603.db2.gz YGLJXSUUERYJKG-OAHLLOKOSA-N 0 3 319.453 2.011 20 30 DEEDHN CC(C)(C)C1=CCN(CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC000330088178 404547398 /nfs/dbraw/zinc/54/73/98/404547398.db2.gz NVIYWZNITUOWLZ-UHFFFAOYSA-N 0 3 322.409 2.013 20 30 DEEDHN CCC1(NC(=O)C(C)S(=O)(=O)C2CCOCC2)CCC1 ZINC000330152799 404566625 /nfs/dbraw/zinc/56/66/25/404566625.db2.gz MGXMFCOARCGHQL-LLVKDONJSA-N 0 3 303.424 2.258 20 30 DEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cnccc1C#N ZINC000342433154 404574899 /nfs/dbraw/zinc/57/48/99/404574899.db2.gz LEXDGXDRQSPTEA-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000351489071 404601577 /nfs/dbraw/zinc/60/15/77/404601577.db2.gz BUVYKYFZACSSCZ-ZBFHGGJFSA-N 0 3 321.808 2.291 20 30 DEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)C(C)C#N ZINC000351510606 404615154 /nfs/dbraw/zinc/61/51/54/404615154.db2.gz GNEPOKVAZAONEL-YUMQZZPRSA-N 0 3 302.300 2.399 20 30 DEEDHN CC#CCCCC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000356602281 404615911 /nfs/dbraw/zinc/61/59/11/404615911.db2.gz HEUWKJSFGRPAMY-UHFFFAOYSA-N 0 3 307.482 2.056 20 30 DEEDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000351525711 404624467 /nfs/dbraw/zinc/62/44/67/404624467.db2.gz TVPSMMZVVXGNPJ-GDBMZVCRSA-N 0 3 321.808 2.291 20 30 DEEDHN C[C@@H]1CSC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000352797176 404629492 /nfs/dbraw/zinc/62/94/92/404629492.db2.gz IBMRDAOLAWFYEO-NOZJJQNGSA-N 0 3 309.822 2.491 20 30 DEEDHN C[C@H]1CSC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000352800887 404633012 /nfs/dbraw/zinc/63/30/12/404633012.db2.gz IJYHWGJFKFIPOW-TVQRCGJNSA-N 0 3 309.822 2.491 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCc1ccncc1OCCN(C)C ZINC000345304944 404667709 /nfs/dbraw/zinc/66/77/09/404667709.db2.gz WPCNNYWFTIHLNG-CQSZACIVSA-N 0 3 305.422 2.241 20 30 DEEDHN CC(C)(C#N)CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353298251 404795427 /nfs/dbraw/zinc/79/54/27/404795427.db2.gz VGBAJKIMYJPPOW-MRXNPFEDSA-N 0 3 314.433 2.500 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccco1 ZINC000353356138 404811232 /nfs/dbraw/zinc/81/12/32/404811232.db2.gz RIIOIAMFBANJSX-FZMZJTMJSA-N 0 3 300.362 2.339 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@H](NCc3ccccc3)C2)c[nH]1 ZINC000376164742 404811332 /nfs/dbraw/zinc/81/13/32/404811332.db2.gz WPKPCRJEGVCEGO-INIZCTEOSA-N 0 3 308.385 2.281 20 30 DEEDHN C=CCCS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000360170017 404820646 /nfs/dbraw/zinc/82/06/46/404820646.db2.gz WCUUCXWJXHMOQE-ZNMIVQPWSA-N 0 3 300.468 2.230 20 30 DEEDHN CC(C)C(=O)N1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000376629471 404826221 /nfs/dbraw/zinc/82/62/21/404826221.db2.gz WXVDNHFRJSEIFR-UHFFFAOYSA-N 0 3 321.465 2.277 20 30 DEEDHN C=C[C@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000358765649 404775060 /nfs/dbraw/zinc/77/50/60/404775060.db2.gz FTKGFKPCUUEENM-GOEBONIOSA-N 0 3 317.433 2.058 20 30 DEEDHN CN1CCC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416676112 404876859 /nfs/dbraw/zinc/87/68/59/404876859.db2.gz BXMMXXXCEVZLCR-QGZVFWFLSA-N 0 3 312.417 2.329 20 30 DEEDHN COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(Cl)c(F)c1 ZINC000434434435 404896851 /nfs/dbraw/zinc/89/68/51/404896851.db2.gz HVJJRPVAUFUBAF-UFBFGSQYSA-N 0 3 312.728 2.359 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)ccc1F ZINC000366791811 404848331 /nfs/dbraw/zinc/84/83/31/404848331.db2.gz DHYSBJNPXIMREB-OAHLLOKOSA-N 0 3 301.365 2.398 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@@H](C(C)=O)C2(C)C)CC1 ZINC000353770852 404966260 /nfs/dbraw/zinc/96/62/60/404966260.db2.gz IECWSTOWOVRYMO-HOCLYGCPSA-N 0 3 306.450 2.394 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)CC(C)(C)CO ZINC000451244833 404917955 /nfs/dbraw/zinc/91/79/55/404917955.db2.gz NTAZHMDJZKWIIC-MRXNPFEDSA-N 0 3 307.434 2.105 20 30 DEEDHN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2ccc(C#N)s2)cn1 ZINC000378374652 404947374 /nfs/dbraw/zinc/94/73/74/404947374.db2.gz FPYONSPSYUGKPG-XJKSGUPXSA-N 0 3 316.430 2.441 20 30 DEEDHN COc1ccc(CC[C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424099930 405006012 /nfs/dbraw/zinc/00/60/12/405006012.db2.gz NFAABCGEEBHAQY-CZUORRHYSA-N 0 3 303.406 2.154 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000424106404 405009054 /nfs/dbraw/zinc/00/90/54/405009054.db2.gz XFRWMRHDKQZNMW-HOTGVXAUSA-N 0 3 303.381 2.380 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000424113668 405009818 /nfs/dbraw/zinc/00/98/18/405009818.db2.gz NYPDYZPGQIRSND-LSDHHAIUSA-N 0 3 321.808 2.261 20 30 DEEDHN COc1cc(CN(C)C(=O)[C@H](N)CCCC#N)ccc1SC ZINC000424115863 405011810 /nfs/dbraw/zinc/01/18/10/405011810.db2.gz WKOZQJSGFNHKAQ-CYBMUJFWSA-N 0 3 321.446 2.397 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)C(C)C ZINC000417064457 405024910 /nfs/dbraw/zinc/02/49/10/405024910.db2.gz OQKYXVSSNJTZSA-GVDBMIGSSA-N 0 3 322.497 2.077 20 30 DEEDHN COc1cccc2sc(NC(=O)[C@H](N)CCCC#N)nc21 ZINC000424070048 404994071 /nfs/dbraw/zinc/99/40/71/404994071.db2.gz WXCVIIRXGPAWQL-SECBINFHSA-N 0 3 304.375 2.265 20 30 DEEDHN C=CCOc1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000367461368 405056549 /nfs/dbraw/zinc/05/65/49/405056549.db2.gz WLOOMEAZKCWIBA-MOPGFXCFSA-N 0 3 316.445 2.282 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000452013393 405127167 /nfs/dbraw/zinc/12/71/67/405127167.db2.gz IZHLSWANHPORHN-APHBMKBZSA-N 0 3 301.390 2.432 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000437779968 405219251 /nfs/dbraw/zinc/21/92/51/405219251.db2.gz VENWTLXCHJWMCG-OAGGEKHMSA-N 0 3 309.454 2.141 20 30 DEEDHN Cn1cc(CNCCc2cnccn2)c(-c2ccc(C#N)cc2)n1 ZINC000367953009 405202938 /nfs/dbraw/zinc/20/29/38/405202938.db2.gz XREMVHVOPPPJFD-UHFFFAOYSA-N 0 3 318.384 2.081 20 30 DEEDHN CCN(Cc1ccccc1NC(=O)[C@H](C)C#N)C(=O)C(C)C#N ZINC000424892709 405207528 /nfs/dbraw/zinc/20/75/28/405207528.db2.gz NTZYCXWNBBANBX-CHWSQXEVSA-N 0 3 312.373 2.293 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C1(C)C ZINC000439518523 405284035 /nfs/dbraw/zinc/28/40/35/405284035.db2.gz HAZAKGSRIBGECU-BYCMXARLSA-N 0 3 301.390 2.288 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC1(C)C ZINC000419320170 405237540 /nfs/dbraw/zinc/23/75/40/405237540.db2.gz XCLWYJKWOHUDNJ-KGLIPLIRSA-N 0 3 321.446 2.141 20 30 DEEDHN COc1cc2[nH]c(CCCNC(=O)C(C)C#N)cc2c(OC)c1 ZINC000440922435 405330883 /nfs/dbraw/zinc/33/08/83/405330883.db2.gz XFNDVSNDUTWWLM-LLVKDONJSA-N 0 3 315.373 2.394 20 30 DEEDHN C=C(C)CCNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000454444302 405346185 /nfs/dbraw/zinc/34/61/85/405346185.db2.gz RYUNWOGRIAAJEB-UHFFFAOYSA-N 0 3 319.449 2.435 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)O[C@@H](CC)C2)CC1 ZINC000420924335 405406175 /nfs/dbraw/zinc/40/61/75/405406175.db2.gz XWTDFYUCGXWTAK-IYBDPMFKSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000427468809 405407591 /nfs/dbraw/zinc/40/75/91/405407591.db2.gz HBKRHHIWZPFRPF-KLHDSHLOSA-N 0 3 324.490 2.006 20 30 DEEDHN C=CCOc1cccc(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000454584599 405367037 /nfs/dbraw/zinc/36/70/37/405367037.db2.gz RLSVRJQOBRXVRO-CJNGLKHVSA-N 0 3 301.390 2.419 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)NCc1ccc(C)cc1 ZINC000429704564 405444055 /nfs/dbraw/zinc/44/40/55/405444055.db2.gz AEQXFLIPCOAYAC-UHFFFAOYSA-N 0 3 303.450 2.051 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000429724811 405446271 /nfs/dbraw/zinc/44/62/71/405446271.db2.gz XIODJWQIGLTJEU-UHFFFAOYSA-N 0 3 322.453 2.350 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455788103 405450527 /nfs/dbraw/zinc/45/05/27/405450527.db2.gz NWUMOTMEYVRTIS-UHFFFAOYSA-N 0 3 307.785 2.165 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000458810160 405602711 /nfs/dbraw/zinc/60/27/11/405602711.db2.gz MBQOWGNCOXUREP-UHFFFAOYSA-N 0 3 324.513 2.304 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCCS(=O)(=O)c1ccccc1 ZINC000580185279 405603069 /nfs/dbraw/zinc/60/30/69/405603069.db2.gz DNOHQKMZDCFDJA-HOCLYGCPSA-N 0 3 309.431 2.031 20 30 DEEDHN COCCC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528580901 405673922 /nfs/dbraw/zinc/67/39/22/405673922.db2.gz IQSMNFQXJUHXQE-KRWDZBQOSA-N 0 3 318.417 2.046 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCCC1(C)C ZINC000457081464 405686044 /nfs/dbraw/zinc/68/60/44/405686044.db2.gz VSAISDWRZYOIOH-CQSZACIVSA-N 0 3 315.417 2.316 20 30 DEEDHN N#CCC[C@H](C#N)CNc1cccc(CN2CCC(O)CC2)c1 ZINC000582322876 405706802 /nfs/dbraw/zinc/70/68/02/405706802.db2.gz CAUNFPAVVJGZTO-MRXNPFEDSA-N 0 3 312.417 2.499 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000582402072 405720898 /nfs/dbraw/zinc/72/08/98/405720898.db2.gz URJAMKWFQPRPQD-CJIHGDGISA-N 0 3 318.461 2.393 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc4[nH]cnc4c3)C2)nc1 ZINC000559308818 405730645 /nfs/dbraw/zinc/73/06/45/405730645.db2.gz IDGUHZIQPQUGEK-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc4nc[nH]c4c3)C2)nc1 ZINC000559308818 405730650 /nfs/dbraw/zinc/73/06/50/405730650.db2.gz IDGUHZIQPQUGEK-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000450108897 405741993 /nfs/dbraw/zinc/74/19/93/405741993.db2.gz YVTUUDYMZNIWRN-HPBDAGMYSA-N 0 3 314.429 2.357 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000450108896 405742932 /nfs/dbraw/zinc/74/29/32/405742932.db2.gz YVTUUDYMZNIWRN-DDBAPUKQSA-N 0 3 314.429 2.357 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494703170 405751615 /nfs/dbraw/zinc/75/16/15/405751615.db2.gz NDIHRFIXRRBMIJ-BBWFWOEESA-N 0 3 315.417 2.125 20 30 DEEDHN COCc1ccc(NC(=O)NC[C@H]2CCCN(C)C2)cc1C#N ZINC000529210096 405752742 /nfs/dbraw/zinc/75/27/42/405752742.db2.gz CNPXLRQDBMZGSM-CYBMUJFWSA-N 0 3 316.405 2.168 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)CC#N)C[C@@H](C)C1 ZINC000459240556 405815055 /nfs/dbraw/zinc/81/50/55/405815055.db2.gz QGGOLIYAPRWTNR-ZNMIVQPWSA-N 0 3 306.454 2.298 20 30 DEEDHN CC(C#N)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000495266652 405857792 /nfs/dbraw/zinc/85/77/92/405857792.db2.gz UEKGSNPGTNAVFP-RQJABVFESA-N 0 3 321.421 2.298 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCC(C)(C)CC#N)Cc1ccccc1 ZINC000457486794 405864172 /nfs/dbraw/zinc/86/41/72/405864172.db2.gz PXXGBHIJXAFSSY-INIZCTEOSA-N 0 3 316.449 2.398 20 30 DEEDHN C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N1CCCC1 ZINC000532007781 406033798 /nfs/dbraw/zinc/03/37/98/406033798.db2.gz RTXMDSAHEGWMQF-CQSZACIVSA-N 0 3 315.417 2.316 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634278687 406080615 /nfs/dbraw/zinc/08/06/15/406080615.db2.gz XJVYELNZUNEYEJ-AEFFLSMTSA-N 0 3 302.418 2.013 20 30 DEEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000566426754 406088620 /nfs/dbraw/zinc/08/86/20/406088620.db2.gz WMMUKMIHIKJNPN-INIZCTEOSA-N 0 3 313.445 2.438 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000514748424 406054478 /nfs/dbraw/zinc/05/44/78/406054478.db2.gz XZTOBDJOFVJQJF-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CNCC1=CCCOC1 ZINC000564868490 406067340 /nfs/dbraw/zinc/06/73/40/406067340.db2.gz GIJZQXSUPDMROP-KRWDZBQOSA-N 0 3 303.402 2.091 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](c3cccnc3)C2)CC1 ZINC000516923514 406110297 /nfs/dbraw/zinc/11/02/97/406110297.db2.gz APIHQFSOWAKPFY-MRXNPFEDSA-N 0 3 314.433 2.231 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NCC[C@H]3CCOC3)C2=O)cc1 ZINC000517199180 406123662 /nfs/dbraw/zinc/12/36/62/406123662.db2.gz KNMKFNBJYQFOOB-DOTOQJQBSA-N 0 3 313.401 2.070 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000517665792 406126587 /nfs/dbraw/zinc/12/65/87/406126587.db2.gz IIXGNLSCEMKVOV-CQSZACIVSA-N 0 3 316.449 2.090 20 30 DEEDHN N#Cc1cccc(C2(C(=O)N3CC[C@H](N4CCCC4)C3)CC2)c1 ZINC000533259206 406132741 /nfs/dbraw/zinc/13/27/41/406132741.db2.gz QRFCNRGOYYDFGR-KRWDZBQOSA-N 0 3 309.413 2.287 20 30 DEEDHN CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CCN1C ZINC000487987309 406281172 /nfs/dbraw/zinc/28/11/72/406281172.db2.gz JTHPGERQXIMWPM-PBHICJAKSA-N 0 3 314.433 2.157 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000489394485 406401795 /nfs/dbraw/zinc/40/17/95/406401795.db2.gz CAFKKAXRUVSPFQ-IRXDYDNUSA-N 0 3 318.417 2.425 20 30 DEEDHN C#CCN(C(=O)NC[C@]1(N(C)C)CCSC1)C1CCCCC1 ZINC000490779479 406492754 /nfs/dbraw/zinc/49/27/54/406492754.db2.gz WZMRKDDKHAIIPK-QGZVFWFLSA-N 0 3 323.506 2.401 20 30 DEEDHN N#Cc1cccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000524391824 406447200 /nfs/dbraw/zinc/44/72/00/406447200.db2.gz CLLICJPHKRLMQH-IBGZPJMESA-N 0 3 321.380 2.134 20 30 DEEDHN C[C@@H](NCc1cnc2c(C#N)cnn2c1)[C@@H]1COc2ccccc21 ZINC000571524156 406531646 /nfs/dbraw/zinc/53/16/46/406531646.db2.gz RZVFWPKRWVOKMS-WBMJQRKESA-N 0 3 319.368 2.255 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000490891244 406502807 /nfs/dbraw/zinc/50/28/07/406502807.db2.gz BMYIQTVPHDCZBG-ZWKOTPCHSA-N 0 3 309.413 2.100 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](CC)CC(F)(F)F ZINC000491497647 406605725 /nfs/dbraw/zinc/60/57/25/406605725.db2.gz ZBKDZRRJKHIAIH-GFCCVEGCSA-N 0 3 307.360 2.219 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000569218326 292398500 /nfs/dbraw/zinc/39/85/00/292398500.db2.gz ZJWXDIBZWVINDI-WBVHZDCISA-N 0 3 313.401 2.388 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCOc2ccccc21 ZINC000491351338 406574164 /nfs/dbraw/zinc/57/41/64/406574164.db2.gz SVKZVWXSXINDKR-OAHLLOKOSA-N 0 3 300.402 2.014 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000491757822 406704622 /nfs/dbraw/zinc/70/46/22/406704622.db2.gz FVCCBLVXSZUCIS-UHFFFAOYSA-N 0 3 321.402 2.002 20 30 DEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000491718785 406686586 /nfs/dbraw/zinc/68/65/86/406686586.db2.gz WHGSLCFGXNCNPL-UHFFFAOYSA-N 0 3 321.808 2.111 20 30 DEEDHN C#CCNC(=O)CCNCCOc1ccc(Cl)c(Cl)c1 ZINC000491730553 406691058 /nfs/dbraw/zinc/69/10/58/406691058.db2.gz PBKKHSWSZMWTLB-UHFFFAOYSA-N 0 3 315.200 2.101 20 30 DEEDHN C#C[C@@H](NCc1c(C)nn(CC(=O)OCC)c1C)C(C)(C)C ZINC000491739753 406695541 /nfs/dbraw/zinc/69/55/41/406695541.db2.gz PYTUETOGZHSCKU-OAHLLOKOSA-N 0 3 305.422 2.201 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1cccc(C(F)(F)F)c1 ZINC000573456938 406773255 /nfs/dbraw/zinc/77/32/55/406773255.db2.gz CEQQHJKIOUZGAB-CQSZACIVSA-N 0 3 315.339 2.001 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640924260 406743348 /nfs/dbraw/zinc/74/33/48/406743348.db2.gz TWABMXIVXOWPDP-GXTWGEPZSA-N 0 3 307.442 2.310 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ncccc2F)CC1 ZINC000527769172 406744775 /nfs/dbraw/zinc/74/47/75/406744775.db2.gz XIAZANHGEUDMJH-LBPRGKRZSA-N 0 3 306.385 2.231 20 30 DEEDHN Cc1cc(CN[C@]2(CO)COc3ccccc3C2)ccc1C#N ZINC000527770881 406746816 /nfs/dbraw/zinc/74/68/16/406746816.db2.gz WZSAFDNTLBBRTE-LJQANCHMSA-N 0 3 308.381 2.323 20 30 DEEDHN N#Cc1ncn(CCNCc2ccsc2C(F)(F)F)n1 ZINC000527710646 406726407 /nfs/dbraw/zinc/72/64/07/406726407.db2.gz YCCYEZQGAFWGEC-UHFFFAOYSA-N 0 3 301.297 2.020 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000491805815 406729071 /nfs/dbraw/zinc/72/90/71/406729071.db2.gz PFUXOSVBFZFTKP-HZPDHXFCSA-N 0 3 305.397 2.385 20 30 DEEDHN C[C@H]1CN(C(=O)NCC2(CC#N)CC2)CCN(C2CCC2)C1 ZINC000575236565 406790631 /nfs/dbraw/zinc/79/06/31/406790631.db2.gz PRCFUCXZLYERKZ-CQSZACIVSA-N 0 3 304.438 2.196 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000556120883 406862511 /nfs/dbraw/zinc/86/25/11/406862511.db2.gz UGAMRBREKNAQQW-HIFRSBDPSA-N 0 3 304.390 2.286 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cc(OC)c(OC)cc1SC ZINC000641768590 406888632 /nfs/dbraw/zinc/88/86/32/406888632.db2.gz CTIOBRBLENIMQV-ZDUSSCGKSA-N 0 3 309.431 2.290 20 30 DEEDHN C=CCOCCNC[C@@H](O)COc1ccc2ccccc2c1 ZINC000644617842 407153954 /nfs/dbraw/zinc/15/39/54/407153954.db2.gz FVCCDJQTMCROMO-QGZVFWFLSA-N 0 3 301.386 2.372 20 30 DEEDHN C=CCOCCNC[C@H](O)COc1cccc2ccccc21 ZINC000644617850 407154024 /nfs/dbraw/zinc/15/40/24/407154024.db2.gz HBUUNMLHKMUFPC-INIZCTEOSA-N 0 3 301.386 2.372 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)OC3(CCCC3)C2)CC1 ZINC000645232738 407251038 /nfs/dbraw/zinc/25/10/38/407251038.db2.gz OQISYDYEAQNDNY-HNNXBMFYSA-N 0 3 321.465 2.380 20 30 DEEDHN C[C@H](CNC(=O)CN1CCC[C@H]1C)Nc1cccc(F)c1C#N ZINC001098282666 782017026 /nfs/dbraw/zinc/01/70/26/782017026.db2.gz SHKWJVCRBPLLRZ-CHWSQXEVSA-N 0 3 318.396 2.098 20 30 DEEDHN CC(C#N)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000129184660 196026616 /nfs/dbraw/zinc/02/66/16/196026616.db2.gz JLBOBXWZKATMSE-QMMMGPOBSA-N 0 3 309.163 2.160 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nnc2ccccn21 ZINC000339234565 226184081 /nfs/dbraw/zinc/18/40/81/226184081.db2.gz PQQSKMBEKLBXAT-OAHLLOKOSA-N 0 3 319.368 2.118 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000338728811 226169638 /nfs/dbraw/zinc/16/96/38/226169638.db2.gz UMULESCRTSCTJQ-RHSMWYFYSA-N 0 3 317.408 2.159 20 30 DEEDHN C[C@H]1C[C@H](c2cccnc2)N(CCC(=O)N(C)CCC#N)C1 ZINC000376556343 227171708 /nfs/dbraw/zinc/17/17/08/227171708.db2.gz YQTDVYRMKWODKJ-GOEBONIOSA-N 0 3 300.406 2.227 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)[C@H]1C ZINC001088905225 782036223 /nfs/dbraw/zinc/03/62/23/782036223.db2.gz OGSXTYFCTQYEKO-KBMXLJTQSA-N 0 3 314.429 2.490 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@H]1C ZINC001088904649 782036325 /nfs/dbraw/zinc/03/63/25/782036325.db2.gz SDIQSQWFUVDYKX-RBPQIDMKSA-N 0 3 308.425 2.175 20 30 DEEDHN Cc1nc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000488100041 421071056 /nfs/dbraw/zinc/07/10/56/421071056.db2.gz SCTIZXOSIIDXSR-MSOLQXFVSA-N 0 3 322.412 2.309 20 30 DEEDHN CCCN(C(=O)Nc1cc(C)c(C#N)cn1)[C@H]1CCN(C)C1 ZINC000603110980 422442931 /nfs/dbraw/zinc/44/29/31/422442931.db2.gz HTMWWCULQKHZOB-AWEZNQCLSA-N 0 3 301.394 2.210 20 30 DEEDHN Cc1cc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)ncc1C#N ZINC000603135202 422448993 /nfs/dbraw/zinc/44/89/93/422448993.db2.gz LUNSTXMNXMDDBI-KRWDZBQOSA-N 0 3 313.405 2.211 20 30 DEEDHN Cc1c(Cl)cnc(NC[C@@H](O)CN2CCC(C)CC2)c1C#N ZINC000612077935 422480845 /nfs/dbraw/zinc/48/08/45/422480845.db2.gz YSYINJJOPHHGCY-CYBMUJFWSA-N 0 3 322.840 2.420 20 30 DEEDHN CC[C@@H](C)n1nc(NC(=O)NC2CCN(CC)CC2)cc1C ZINC000330686345 424909906 /nfs/dbraw/zinc/90/99/06/424909906.db2.gz MGAJCMKTCFRYGC-GFCCVEGCSA-N 0 3 307.442 2.973 20 30 DEEDHN Cc1ccc([C@H](CNc2cc(C#N)ncn2)N2CCCC2)cc1 ZINC000569667704 424924362 /nfs/dbraw/zinc/92/43/62/424924362.db2.gz CJUISKLFICWVSB-KRWDZBQOSA-N 0 3 307.401 2.906 20 30 DEEDHN C=CCC1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCCC1 ZINC000648936848 424931884 /nfs/dbraw/zinc/93/18/84/424931884.db2.gz PQXPATFVPUSANC-QGZVFWFLSA-N 0 3 319.493 2.361 20 30 DEEDHN CCN(CC)[C@H](CNc1cc(C#N)ncn1)c1ccsc1 ZINC000581981135 424976443 /nfs/dbraw/zinc/97/64/43/424976443.db2.gz XAHZVVKYMGFWPE-CQSZACIVSA-N 0 3 301.419 2.905 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)c(N)n1 ZINC000583391641 424984514 /nfs/dbraw/zinc/98/45/14/424984514.db2.gz BOMWBHJSUOZXPX-PBHICJAKSA-N 0 3 321.428 2.858 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000649324179 424993478 /nfs/dbraw/zinc/99/34/78/424993478.db2.gz NKNORDSHOYWWIY-QWHCGFSZSA-N 0 3 322.371 2.046 20 30 DEEDHN Cc1cc(NC(=O)CCN(C)[C@@H](C)c2cccc(C#N)c2)no1 ZINC000425542001 424998162 /nfs/dbraw/zinc/99/81/62/424998162.db2.gz XMCVZKNYFHDYGU-ZDUSSCGKSA-N 0 3 312.373 2.876 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](c2ccco2)N(CC)CC)n1 ZINC000596093107 425017471 /nfs/dbraw/zinc/01/74/71/425017471.db2.gz QYSJBIZRXXRVOS-AWEZNQCLSA-N 0 3 313.405 2.999 20 30 DEEDHN Cc1ccc([C@H](CNc2cc(C#N)cnn2)N2CCCC2)cc1 ZINC000596098603 425017940 /nfs/dbraw/zinc/01/79/40/425017940.db2.gz SABKYSWOTSGSPH-KRWDZBQOSA-N 0 3 307.401 2.906 20 30 DEEDHN CN1CCC[C@H](CNc2cc(C#N)cnn2)[C@@H]1c1cccs1 ZINC000596144478 425019336 /nfs/dbraw/zinc/01/93/36/425019336.db2.gz FEIRITDADOPPMZ-CZUORRHYSA-N 0 3 313.430 2.905 20 30 DEEDHN CCc1nc(C#N)cc(NCC2CCN(c3ccncc3)CC2)n1 ZINC000596186724 425021378 /nfs/dbraw/zinc/02/13/78/425021378.db2.gz WMLBVPMTUASPJY-UHFFFAOYSA-N 0 3 322.416 2.634 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H]1CCCOC1 ZINC000352232559 425044190 /nfs/dbraw/zinc/04/41/90/425044190.db2.gz VOXALSNTOGDCLA-DLBZAZTESA-N 0 3 305.418 2.266 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ccnc(N(C)C)n1)C(C)C ZINC000354093051 425060358 /nfs/dbraw/zinc/06/03/58/425060358.db2.gz VWVKJUIAFXLUOE-OAHLLOKOSA-N 0 3 303.454 2.653 20 30 DEEDHN CCC#C[C@@H](C)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000649922566 425102981 /nfs/dbraw/zinc/10/29/81/425102981.db2.gz PWJCJSOHGVGKPI-WBVHZDCISA-N 0 3 301.434 2.418 20 30 DEEDHN C=CCCn1cc(CN2CCN(C3CCCCC3)CC2)nn1 ZINC000653570803 425182160 /nfs/dbraw/zinc/18/21/60/425182160.db2.gz BVJQTBAWBUHKRQ-UHFFFAOYSA-N 0 3 303.454 2.305 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000660823878 425246240 /nfs/dbraw/zinc/24/62/40/425246240.db2.gz ILCQNUXQBOVQPY-GOEBONIOSA-N 0 3 311.495 2.421 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001086098824 784408304 /nfs/dbraw/zinc/40/83/04/784408304.db2.gz YQHQINUBIXIZTC-XJFOESAGSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CC[C@@H]1CCCN([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000661379721 425394529 /nfs/dbraw/zinc/39/45/29/425394529.db2.gz HIYCSYMOOXKPEQ-CABCVRRESA-N 0 3 302.422 2.204 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000661378501 425394951 /nfs/dbraw/zinc/39/49/51/425394951.db2.gz HPMNMTZLMXRNQJ-IKGGRYGDSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCC[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1 ZINC000664495631 425397013 /nfs/dbraw/zinc/39/70/13/425397013.db2.gz BMPBSOOHJLMGCX-ULQDDVLXSA-N 0 3 317.433 2.010 20 30 DEEDHN C=CCCn1cc(CNCC2(CC(=O)NC)CCCCC2)nn1 ZINC000657762794 425398581 /nfs/dbraw/zinc/39/85/81/425398581.db2.gz PGTAMNFBIYSOIF-UHFFFAOYSA-N 0 3 319.453 2.030 20 30 DEEDHN C=CCC1(NCc2c(Br)cnn2C)CCOCC1 ZINC000657633448 425380426 /nfs/dbraw/zinc/38/04/26/425380426.db2.gz PMCHANLAURWQJF-UHFFFAOYSA-N 0 3 314.227 2.398 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661879904 425518647 /nfs/dbraw/zinc/51/86/47/425518647.db2.gz FQKPVAJQIRMDFO-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN(CC(=O)NC[C@@H]1COc2ccccc2O1)C(C)(C)C ZINC000661754962 425494645 /nfs/dbraw/zinc/49/46/45/425494645.db2.gz IKPNRUYUZBRCJF-CQSZACIVSA-N 0 3 318.417 2.229 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCOC)CCN(C)C ZINC000665394949 425561185 /nfs/dbraw/zinc/56/11/85/425561185.db2.gz XWTTUJDFQRKFEO-JKSUJKDBSA-N 0 3 311.470 2.341 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662631688 425698502 /nfs/dbraw/zinc/69/85/02/425698502.db2.gz XTBDEZFOFLIDQY-ATNYBXOESA-N 0 3 306.450 2.334 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000666184399 425714052 /nfs/dbraw/zinc/71/40/52/425714052.db2.gz BEOXGNZVZQVPQR-AWEZNQCLSA-N 0 3 305.426 2.265 20 30 DEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000666284071 425730701 /nfs/dbraw/zinc/73/07/01/425730701.db2.gz MELOBMCWMHIAPP-INIZCTEOSA-N 0 3 303.406 2.158 20 30 DEEDHN C=CCOCCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000666516073 425768042 /nfs/dbraw/zinc/76/80/42/425768042.db2.gz XSWPOGAVSFKLAU-INIZCTEOSA-N 0 3 323.412 2.320 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000528409603 268296661 /nfs/dbraw/zinc/29/66/61/268296661.db2.gz VXIKUPRQULIYNQ-RDJZCZTQSA-N 0 3 311.385 2.463 20 30 DEEDHN COC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000181564764 274050335 /nfs/dbraw/zinc/05/03/35/274050335.db2.gz AYDOYGPJQPPTDH-ZDUSSCGKSA-N 0 3 307.419 2.190 20 30 DEEDHN Cn1cnc(CCNCc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000352820924 274899041 /nfs/dbraw/zinc/89/90/41/274899041.db2.gz FBLUQANFOPUPDB-UHFFFAOYSA-N 0 3 309.295 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000491669484 275380398 /nfs/dbraw/zinc/38/03/98/275380398.db2.gz UJFOCRKXSGRPIT-OLZOCXBDSA-N 0 3 319.371 2.314 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(C2)CCOCC3)CC1 ZINC000369743348 275738597 /nfs/dbraw/zinc/73/85/97/275738597.db2.gz YZHJILVQNGLHNR-UHFFFAOYSA-N 0 3 321.465 2.239 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000248626795 277982652 /nfs/dbraw/zinc/98/26/52/277982652.db2.gz VCMXUTOBTVOXJA-JOQOYGCGSA-N 0 3 315.417 2.195 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CCCOC1 ZINC000245499251 278148796 /nfs/dbraw/zinc/14/87/96/278148796.db2.gz XUDJGTHNYAFFBG-HUUCEWRRSA-N 0 3 307.438 2.076 20 30 DEEDHN C[C@H](C#N)CN(C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284136429 279181042 /nfs/dbraw/zinc/18/10/42/279181042.db2.gz ONNZHZPPZVAHLJ-AEFFLSMTSA-N 0 3 301.434 2.369 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000375485527 289240150 /nfs/dbraw/zinc/24/01/50/289240150.db2.gz QUQNVCXCUKQALA-NQZOLGFYSA-N 0 3 313.401 2.063 20 30 DEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274631271 290025064 /nfs/dbraw/zinc/02/50/64/290025064.db2.gz OZULTTQEFIETHX-KCQAQPDRSA-N 0 3 321.446 2.280 20 30 DEEDHN N#C[C@H]1CN(C(=O)C23CCCN2CCC3)C[C@H]1c1ccccc1 ZINC000346394381 303168558 /nfs/dbraw/zinc/16/85/58/303168558.db2.gz YHADREOBSBZFTH-IRXDYDNUSA-N 0 3 309.413 2.381 20 30 DEEDHN N#C[C@H]1CN(C(=O)C23CCCN2CCC3)C[C@@H]1c1ccccc1 ZINC000346394376 303168585 /nfs/dbraw/zinc/16/85/85/303168585.db2.gz YHADREOBSBZFTH-DLBZAZTESA-N 0 3 309.413 2.381 20 30 DEEDHN Cc1cc(CNC2CCC(N(C)C(=O)[C@H](C)C#N)CC2)on1 ZINC001368908860 1148763821 /nfs/dbraw/zinc/76/38/21/1148763821.db2.gz VHVYHFYHOUVAMS-LMWSTFAQSA-N 0 3 304.394 2.002 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)[C@H]1C ZINC001088951445 782072449 /nfs/dbraw/zinc/07/24/49/782072449.db2.gz PSDRPQHREQNYCN-NFAWXSAZSA-N 0 3 316.449 2.303 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]1C ZINC001088953741 782075835 /nfs/dbraw/zinc/07/58/35/782075835.db2.gz KNVOTBYIGWDLPF-PBHICJAKSA-N 0 3 314.404 2.460 20 30 DEEDHN CC[C@@H](CNc1ccc(C(=O)OC)nc1C#N)N1CCCC1 ZINC000572541497 325946983 /nfs/dbraw/zinc/94/69/83/325946983.db2.gz BORAMLQFLKIJPU-LBPRGKRZSA-N 0 3 302.378 2.026 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000576848617 326324197 /nfs/dbraw/zinc/32/41/97/326324197.db2.gz GNLPWSCNFUZMPM-SFHVURJKSA-N 0 3 320.396 2.244 20 30 DEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)cn1 ZINC000584180275 331857079 /nfs/dbraw/zinc/85/70/79/331857079.db2.gz ICCPVQAUVUEXMK-KDOFPFPSSA-N 0 3 323.396 2.463 20 30 DEEDHN C=CCN(C(=O)[C@@H]1CCN(C)C1)c1nc2c(s1)CCCC2 ZINC000531017139 332211507 /nfs/dbraw/zinc/21/15/07/332211507.db2.gz XBBQJRNNTVUMDN-GFCCVEGCSA-N 0 3 305.447 2.493 20 30 DEEDHN CO[C@@H]1C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCC2 ZINC000560602256 332368201 /nfs/dbraw/zinc/36/82/01/332368201.db2.gz XAQJNDVCTDEHSE-HUUCEWRRSA-N 0 3 319.449 2.218 20 30 DEEDHN C[C@@H](NC(=O)c1ccc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000187200420 332962259 /nfs/dbraw/zinc/96/22/59/332962259.db2.gz SUEXVVMHVUPLNY-CXAGYDPISA-N 0 3 308.385 2.374 20 30 DEEDHN C[C@H](C#N)CNC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000188395997 333045473 /nfs/dbraw/zinc/04/54/73/333045473.db2.gz SVEJHUOAHFMYGW-IYXRBSQSSA-N 0 3 311.385 2.343 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000497149852 333089534 /nfs/dbraw/zinc/08/95/34/333089534.db2.gz SYYHQGHSMYMHLV-ZDUSSCGKSA-N 0 3 311.426 2.152 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCC#Cc2cccc(F)c2)CCC1 ZINC000338105423 333470391 /nfs/dbraw/zinc/47/03/91/333470391.db2.gz PSSBIYMHPACYBT-UHFFFAOYSA-N 0 3 317.408 2.303 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000351938253 336181556 /nfs/dbraw/zinc/18/15/56/336181556.db2.gz WWSHSBQQBRVHGI-LZLYRXPVSA-N 0 3 318.461 2.179 20 30 DEEDHN C=CCOCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000354777411 336481822 /nfs/dbraw/zinc/48/18/22/336481822.db2.gz VTFTUZWJJTWQIT-UHFFFAOYSA-N 0 3 308.447 2.279 20 30 DEEDHN COC(=O)C[C@@]1(NCc2ccccc2C(C)(C)C#N)CCOC1 ZINC000362261427 336790030 /nfs/dbraw/zinc/79/00/30/336790030.db2.gz GGSNDPFZGSYZPD-SFHVURJKSA-N 0 3 316.401 2.300 20 30 DEEDHN C=CCNC(=O)NC(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000171694047 337088630 /nfs/dbraw/zinc/08/86/30/337088630.db2.gz KPWMXXKKRCVCKK-UHFFFAOYSA-N 0 3 319.380 2.196 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000582727435 337126149 /nfs/dbraw/zinc/12/61/49/337126149.db2.gz KWKUIWUHXJAKAW-ZFWWWQNUSA-N 0 3 321.446 2.277 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000582886550 337215058 /nfs/dbraw/zinc/21/50/58/337215058.db2.gz CXADSEJYFIRPOW-LFYQSXPISA-N 0 3 301.434 2.305 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000583069464 337235471 /nfs/dbraw/zinc/23/54/71/337235471.db2.gz PYSJXLSYOITNOY-HOTGVXAUSA-N 0 3 314.433 2.310 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000583069463 337235476 /nfs/dbraw/zinc/23/54/76/337235476.db2.gz PYSJXLSYOITNOY-CVEARBPZSA-N 0 3 314.433 2.310 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1C#N ZINC000583185312 337260195 /nfs/dbraw/zinc/26/01/95/337260195.db2.gz COWPXPLSZAGNOZ-BMFZPTHFSA-N 0 3 314.385 2.248 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000424165546 337789489 /nfs/dbraw/zinc/78/94/89/337789489.db2.gz FYDOYIMJQDZJHM-CABCVRRESA-N 0 3 302.374 2.088 20 30 DEEDHN CC1(C)[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]2CCCO[C@@H]21 ZINC000514840935 337972826 /nfs/dbraw/zinc/97/28/26/337972826.db2.gz YLKPJDXMBVETTR-BMFZPTHFSA-N 0 3 319.449 2.122 20 30 DEEDHN CC(C#N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496632810 340009300 /nfs/dbraw/zinc/00/93/00/340009300.db2.gz NMIORKVPNSOLNO-AAEUAGOBSA-N 0 3 307.394 2.146 20 30 DEEDHN CCOC(=O)Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000496731419 340011526 /nfs/dbraw/zinc/01/15/26/340011526.db2.gz SSDGCWUSFISKGQ-CYBMUJFWSA-N 0 3 304.350 2.215 20 30 DEEDHN CC#CCN1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000496774094 340012631 /nfs/dbraw/zinc/01/26/31/340012631.db2.gz QQKLFMVAQXCHJU-HNNXBMFYSA-N 0 3 322.449 2.263 20 30 DEEDHN CC(C#N)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497021834 340018407 /nfs/dbraw/zinc/01/84/07/340018407.db2.gz YTHMNFQOZMXCQY-CHWSQXEVSA-N 0 3 309.410 2.442 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502563340 340107852 /nfs/dbraw/zinc/10/78/52/340107852.db2.gz MUBHDROTFPYGOH-YNEHKIRRSA-N 0 3 317.380 2.135 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CCCC1 ZINC000504111334 340141013 /nfs/dbraw/zinc/14/10/13/340141013.db2.gz UMGACOBTOVFRLK-DLBZAZTESA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC000521578293 340525410 /nfs/dbraw/zinc/52/54/10/340525410.db2.gz JTUHZZDZZRCZBC-UHFFFAOYSA-N 0 3 300.362 2.050 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000564169204 340527732 /nfs/dbraw/zinc/52/77/32/340527732.db2.gz ZCIJBWLKNKDBLZ-SYGRHNPNSA-N 0 3 319.449 2.239 20 30 DEEDHN CC[C@@H](CNC(=O)NC[C@H](C)C#N)N1CCc2ccccc2C1 ZINC000543802708 341059563 /nfs/dbraw/zinc/05/95/63/341059563.db2.gz GYDVMDWEVCXUIH-PBHICJAKSA-N 0 3 314.433 2.282 20 30 DEEDHN C=CCC[C@H](C)[NH2+]Cc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000544569483 341086235 /nfs/dbraw/zinc/08/62/35/341086235.db2.gz GZNURTOJDILFTK-SJCJKPOMSA-N 0 3 301.390 2.186 20 30 DEEDHN C#CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000072488821 341086296 /nfs/dbraw/zinc/08/62/96/341086296.db2.gz VADKZACDDIDXOP-AWEZNQCLSA-N 0 3 305.447 2.454 20 30 DEEDHN CC(C)(C#N)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000131883219 341113106 /nfs/dbraw/zinc/11/31/06/341113106.db2.gz LXZNXKUTIQYLPK-GFCCVEGCSA-N 0 3 303.366 2.416 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000545954818 341148368 /nfs/dbraw/zinc/14/83/68/341148368.db2.gz VALNELFCLZKVHE-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(CC)nnc2C)CC1 ZINC000546792360 341182514 /nfs/dbraw/zinc/18/25/14/341182514.db2.gz TZMZQJVULCSWCB-UHFFFAOYSA-N 0 3 302.422 2.118 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000248427786 341377503 /nfs/dbraw/zinc/37/75/03/341377503.db2.gz AKIIPDHTRLNLHP-CVEARBPZSA-N 0 3 314.433 2.452 20 30 DEEDHN CCN(C(=O)NC[C@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249278923 341395759 /nfs/dbraw/zinc/39/57/59/341395759.db2.gz FNTXLZNGTPTQCP-NVXWUHKLSA-N 0 3 314.433 2.452 20 30 DEEDHN O[C@@H](CNCC#Cc1ccccc1)COCc1cccs1 ZINC000576272118 341837256 /nfs/dbraw/zinc/83/72/56/341837256.db2.gz REVXXDBVMFDENX-INIZCTEOSA-N 0 3 301.411 2.267 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001376449349 1159437054 /nfs/dbraw/zinc/43/70/54/1159437054.db2.gz WZQYLCGIYWSGSJ-ZMLRMANQSA-N 0 3 309.772 2.376 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)C#N)NCc1ccc(Cl)cc1OC ZINC001378246813 1152248997 /nfs/dbraw/zinc/24/89/97/1152248997.db2.gz LFVSSGPBYOBRLF-SMDDNHRTSA-N 0 3 323.824 2.493 20 30 DEEDHN CC1(C)OCC[C@@H]1NN=Cc1ccc(N2CCOCC2)cc1 ZINC000835015108 649866529 /nfs/dbraw/zinc/86/65/29/649866529.db2.gz PHIPHWFCYYZEIA-INIZCTEOSA-N 0 3 303.406 2.014 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2c(cccc2OC)n1C ZINC001357524179 1152307304 /nfs/dbraw/zinc/30/73/04/1152307304.db2.gz BOJZQOBQGFATHW-LLVKDONJSA-N 0 3 302.378 2.204 20 30 DEEDHN CC(C)N(CCN(C)CCOc1ccccc1)C(=O)[C@H](C)C#N ZINC001369516298 1149009981 /nfs/dbraw/zinc/00/99/81/1149009981.db2.gz RBJFOPJZFLFXLB-MRXNPFEDSA-N 0 3 317.433 2.394 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H](C)CNCc1cc(F)ccc1C#N ZINC001378534152 1152365603 /nfs/dbraw/zinc/36/56/03/1152365603.db2.gz VIEJZAADPRNJRP-RYUDHWBXSA-N 0 3 323.437 2.291 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCOCC3(CCCC3)C2)c1 ZINC001413983760 1152395220 /nfs/dbraw/zinc/39/52/20/1152395220.db2.gz VZWVROJUGGXDLS-QGZVFWFLSA-N 0 3 300.402 2.484 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1snnc1CC)C(C)C ZINC001401327794 1161933173 /nfs/dbraw/zinc/93/31/73/1161933173.db2.gz GHLIAEIPGAKRQU-NSHDSACASA-N 0 3 316.858 2.197 20 30 DEEDHN C[C@@H]1CC[C@@H](N(CCO)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000331206478 534176213 /nfs/dbraw/zinc/17/62/13/534176213.db2.gz YGKXKYPSLLGZDJ-HZPDHXFCSA-N 0 3 321.465 2.154 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453411908 534449959 /nfs/dbraw/zinc/44/99/59/534449959.db2.gz FPJZQHHLDDHIJX-HUUCEWRRSA-N 0 3 319.453 2.236 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000449958022 534582400 /nfs/dbraw/zinc/58/24/00/534582400.db2.gz FWYXPHAOKXXVNM-ZBFHGGJFSA-N 0 3 318.417 2.465 20 30 DEEDHN CN(C)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000102792139 521784901 /nfs/dbraw/zinc/78/49/01/521784901.db2.gz CHQFNGNSBZUAMY-UHFFFAOYSA-N 0 3 313.357 2.022 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCCSc1ccccc1 ZINC000451595181 534607839 /nfs/dbraw/zinc/60/78/39/534607839.db2.gz CNQUAMCEZZWZHM-CVEARBPZSA-N 0 3 320.458 2.218 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)[C@H]1C ZINC001089091741 782163446 /nfs/dbraw/zinc/16/34/46/782163446.db2.gz OCIZLFWVKJMLHA-HYVNUMGLSA-N 0 3 314.429 2.454 20 30 DEEDHN N#Cc1ccnc(N2CCC(CN3CCOCC3)CC2)c1Cl ZINC000429189277 534820881 /nfs/dbraw/zinc/82/08/81/534820881.db2.gz BMXCLIFJKWCDSH-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000190356589 526288253 /nfs/dbraw/zinc/28/82/53/526288253.db2.gz UMTFNEIATSTKTA-INIZCTEOSA-N 0 3 305.422 2.133 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@](C)(OC)c2ccccc2F)CC1 ZINC000192070580 526444561 /nfs/dbraw/zinc/44/45/61/526444561.db2.gz DMXKZQWMCDENBH-GOSISDBHSA-N 0 3 320.408 2.454 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2OC)CC1 ZINC000341087993 526595652 /nfs/dbraw/zinc/59/56/52/526595652.db2.gz JKIXENYMMQSEFM-HOTGVXAUSA-N 0 3 309.454 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc3nc[nH]c3cc2F)CC1 ZINC000332669167 526600805 /nfs/dbraw/zinc/60/08/05/526600805.db2.gz MTEZOQZXIUKRAP-UHFFFAOYSA-N 0 3 316.380 2.472 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000292855134 526625880 /nfs/dbraw/zinc/62/58/80/526625880.db2.gz AHDOVSWEPQZXJY-CQSZACIVSA-N 0 3 320.408 2.198 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H]2CN(C)CCO2)ccc1OC ZINC000105471193 526660936 /nfs/dbraw/zinc/66/09/36/526660936.db2.gz YCHXHZANQFDECS-MRXNPFEDSA-N 0 3 320.433 2.070 20 30 DEEDHN C=C(C)Cn1c(C)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC000338787691 526723549 /nfs/dbraw/zinc/72/35/49/526723549.db2.gz IUAIENAVWMBUSZ-MRXNPFEDSA-N 0 3 321.469 2.100 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccccc1OC ZINC000293917021 526804540 /nfs/dbraw/zinc/80/45/40/526804540.db2.gz GPBDQGWPTUVCDT-OAHLLOKOSA-N 0 3 302.418 2.260 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OC)c(Cl)c1 ZINC000296598091 526817561 /nfs/dbraw/zinc/81/75/61/526817561.db2.gz WBFSZQKWEQFBLC-UHFFFAOYSA-N 0 3 323.824 2.103 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1nc(C(C)C)cs1 ZINC000296572835 526818049 /nfs/dbraw/zinc/81/80/49/526818049.db2.gz TWGQPWXVRBHSLS-UHFFFAOYSA-N 0 3 308.451 2.021 20 30 DEEDHN C#CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000299413187 526901441 /nfs/dbraw/zinc/90/14/41/526901441.db2.gz TWRZBBSEVSATCG-UHFFFAOYSA-N 0 3 317.345 2.030 20 30 DEEDHN C#CCNC(=O)CCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000292725266 526973781 /nfs/dbraw/zinc/97/37/81/526973781.db2.gz GCUOUKYTCODAMI-UHFFFAOYSA-N 0 3 314.307 2.157 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000363672305 526977373 /nfs/dbraw/zinc/97/73/73/526977373.db2.gz MPRXTTKUXSCDNK-RDJZCZTQSA-N 0 3 322.474 2.012 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000340124743 526986487 /nfs/dbraw/zinc/98/64/87/526986487.db2.gz NYHZFHVGESHWFV-UHFFFAOYSA-N 0 3 307.482 2.075 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000188034251 527132303 /nfs/dbraw/zinc/13/23/03/527132303.db2.gz CDBLDGPXOUGGRP-OAHLLOKOSA-N 0 3 313.401 2.401 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000341802880 527173000 /nfs/dbraw/zinc/17/30/00/527173000.db2.gz SJWJTSFLQTYTRJ-DOTOQJQBSA-N 0 3 319.449 2.082 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246903131 527456222 /nfs/dbraw/zinc/45/62/22/527456222.db2.gz DZTJQHPDFWOGOW-HUUCEWRRSA-N 0 3 300.406 2.236 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246903121 527489675 /nfs/dbraw/zinc/48/96/75/527489675.db2.gz DZTJQHPDFWOGOW-CABCVRRESA-N 0 3 300.406 2.236 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429225481 527629852 /nfs/dbraw/zinc/62/98/52/527629852.db2.gz FTJZDQPSHIMARY-UKRRQHHQSA-N 0 3 300.402 2.038 20 30 DEEDHN CCN1CC[C@@H](NC(=O)c2cccc(C#N)c2Br)C1 ZINC000412882894 527795970 /nfs/dbraw/zinc/79/59/70/527795970.db2.gz VMMUNFJFVZNTPQ-LLVKDONJSA-N 0 3 322.206 2.145 20 30 DEEDHN CCC(=O)N[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000330384820 528420028 /nfs/dbraw/zinc/42/00/28/528420028.db2.gz KTOIJOFBQVIXFR-HNNXBMFYSA-N 0 3 307.438 2.078 20 30 DEEDHN CCCO[C@@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000247269773 528604257 /nfs/dbraw/zinc/60/42/57/528604257.db2.gz XZEURJAYOWNLFV-HZPDHXFCSA-N 0 3 309.454 2.276 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000330787637 528853791 /nfs/dbraw/zinc/85/37/91/528853791.db2.gz XKZRJXUQAYTWEJ-CXAGYDPISA-N 0 3 317.437 2.032 20 30 DEEDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC000292695407 528863830 /nfs/dbraw/zinc/86/38/30/528863830.db2.gz NTKVRNGCGPTAJZ-CYBMUJFWSA-N 0 3 303.406 2.209 20 30 DEEDHN CCN1CCC(NC(=O)NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000331090129 528972951 /nfs/dbraw/zinc/97/29/51/528972951.db2.gz VJGXHZDWCHXZQZ-QGZVFWFLSA-N 0 3 311.470 2.306 20 30 DEEDHN CCN1CCC(NC(=O)NC[C@](C)(O)C2CCCCC2)CC1 ZINC000331090128 528974346 /nfs/dbraw/zinc/97/43/46/528974346.db2.gz VJGXHZDWCHXZQZ-KRWDZBQOSA-N 0 3 311.470 2.306 20 30 DEEDHN CC(C)N1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000292360863 529008844 /nfs/dbraw/zinc/00/88/44/529008844.db2.gz FQOSYCKKWWDUKA-HNNXBMFYSA-N 0 3 314.433 2.301 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)CC#N)cc2)CC1 ZINC000194626976 529045620 /nfs/dbraw/zinc/04/56/20/529045620.db2.gz RAIJNURPJKRNOZ-HNNXBMFYSA-N 0 3 314.433 2.249 20 30 DEEDHN CCN1CCN([C@H](C)CNc2cc(C(C)=O)ccc2C#N)CC1 ZINC000302047014 529151981 /nfs/dbraw/zinc/15/19/81/529151981.db2.gz VGVXXUHAXVCJSU-CQSZACIVSA-N 0 3 314.433 2.199 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000192215626 535438389 /nfs/dbraw/zinc/43/83/89/535438389.db2.gz QHELHGGGKXEEEH-WBVHZDCISA-N 0 3 306.381 2.353 20 30 DEEDHN CCn1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000348890965 536044967 /nfs/dbraw/zinc/04/49/67/536044967.db2.gz GBHATDLJMFDESG-UHFFFAOYSA-N 0 3 311.433 2.338 20 30 DEEDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1sccc1C#N ZINC000451726122 536139969 /nfs/dbraw/zinc/13/99/69/536139969.db2.gz RGRDBLMYITZJFX-AWEZNQCLSA-N 0 3 320.462 2.364 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H](C)CCC)CC1 ZINC001368678125 1148571611 /nfs/dbraw/zinc/57/16/11/1148571611.db2.gz IJLBSCKOJOTEAP-GFCCVEGCSA-N 0 3 302.846 2.118 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000835061481 649873971 /nfs/dbraw/zinc/87/39/71/649873971.db2.gz LTEOXUQREXXWCC-KBPBESRZSA-N 0 3 304.346 2.158 20 30 DEEDHN Cn1cc(CN2CCC(CC#N)CC2)c(C2CCOCC2)n1 ZINC001414136068 1152564594 /nfs/dbraw/zinc/56/45/94/1152564594.db2.gz OFUIGTXFUCGZFE-UHFFFAOYSA-N 0 3 302.422 2.440 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(c3ccccn3)CC2)C1 ZINC001368809014 1148680082 /nfs/dbraw/zinc/68/00/82/1148680082.db2.gz CSNKRUZSZGJWCD-UHFFFAOYSA-N 0 3 319.836 2.350 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819735049 606746668 /nfs/dbraw/zinc/74/66/68/606746668.db2.gz ZLYKMELFACFMIK-INIZCTEOSA-N 0 3 315.421 2.406 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819735049 606746669 /nfs/dbraw/zinc/74/66/69/606746669.db2.gz ZLYKMELFACFMIK-INIZCTEOSA-N 0 3 315.421 2.406 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819735049 606746672 /nfs/dbraw/zinc/74/66/72/606746672.db2.gz ZLYKMELFACFMIK-INIZCTEOSA-N 0 3 315.421 2.406 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819735049 606746673 /nfs/dbraw/zinc/74/66/73/606746673.db2.gz ZLYKMELFACFMIK-INIZCTEOSA-N 0 3 315.421 2.406 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccncc1C ZINC001025231328 625289944 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C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001025596177 625616649 /nfs/dbraw/zinc/61/66/49/625616649.db2.gz YNIIQSYWXOTXKV-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000970021975 623062388 /nfs/dbraw/zinc/06/23/88/623062388.db2.gz KPVULUYHZHCWDN-FVQBIDKESA-N 0 3 315.392 2.434 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC001026649671 625617400 /nfs/dbraw/zinc/61/74/00/625617400.db2.gz WIMGDCDXGTZMDT-AWEZNQCLSA-N 0 3 309.369 2.403 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000970048015 623077078 /nfs/dbraw/zinc/07/70/78/623077078.db2.gz RVMLCRAXTWXZII-ZDUSSCGKSA-N 0 3 312.417 2.498 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(COC)c2)C1 ZINC000970075771 623096694 /nfs/dbraw/zinc/09/66/94/623096694.db2.gz DOLMZVCDJIKSBN-CQSZACIVSA-N 0 3 302.418 2.459 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001020743389 623106803 /nfs/dbraw/zinc/10/68/03/623106803.db2.gz 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/nfs/dbraw/zinc/89/73/27/625897327.db2.gz JWSFFFLJPMZJNK-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000979004929 634475716 /nfs/dbraw/zinc/47/57/16/634475716.db2.gz IPDHDTWYOQHXIZ-QKDCVEJESA-N 0 3 322.330 2.246 20 30 DEEDHN CN1CC[C@H](NC(=O)N2CCC[C@@H](C#N)C2)[C@@H]1c1ccccc1 ZINC000921678298 634510652 /nfs/dbraw/zinc/51/06/52/634510652.db2.gz KGCPNJCDOMIVPL-XIRDDKMYSA-N 0 3 312.417 2.377 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccnc(C3CC3)n2)C1 ZINC000999499244 634610895 /nfs/dbraw/zinc/61/08/95/634610895.db2.gz WUFPFCGAHMQSFL-UHFFFAOYSA-N 0 3 320.824 2.299 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c[nH]nc2C2CC2)C1 ZINC000999635886 634641873 /nfs/dbraw/zinc/64/18/73/634641873.db2.gz XOSUKIKVYRMQJW-UHFFFAOYSA-N 0 3 308.813 2.232 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC000999895047 634694193 /nfs/dbraw/zinc/69/41/93/634694193.db2.gz VPWFWLWMDNWOJO-CHWSQXEVSA-N 0 3 319.453 2.221 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC000999900527 634699937 /nfs/dbraw/zinc/69/99/37/634699937.db2.gz QOJGSCUALCJSMR-OAHLLOKOSA-N 0 3 304.438 2.021 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cccc(C)n3)CC2)CC1 ZINC001000085114 634736514 /nfs/dbraw/zinc/73/65/14/634736514.db2.gz ORRUJCGTPWFMNC-UHFFFAOYSA-N 0 3 311.429 2.388 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001000093515 634739389 /nfs/dbraw/zinc/73/93/89/634739389.db2.gz YDQKFIBYNMOAJQ-AEFFLSMTSA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCOC[C@H]3C)CC2)CC1 ZINC001000255534 634826467 /nfs/dbraw/zinc/82/64/67/634826467.db2.gz HHSMHMYRIPOLEW-WBVHZDCISA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000836275532 650073929 /nfs/dbraw/zinc/07/39/29/650073929.db2.gz KCBOLUHRGXZJSR-UHFFFAOYSA-N 0 3 319.424 2.358 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCSC2(CCCCC2)C1 ZINC000836489352 650097498 /nfs/dbraw/zinc/09/74/98/650097498.db2.gz YPLUHMQROMYCRP-UHFFFAOYSA-N 0 3 323.506 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000836488926 650097506 /nfs/dbraw/zinc/09/75/06/650097506.db2.gz RKSKHUHKRMWMPJ-MRXNPFEDSA-N 0 3 303.381 2.237 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000836490049 650097886 /nfs/dbraw/zinc/09/78/86/650097886.db2.gz DPSDZONNTKIIFR-QGZVFWFLSA-N 0 3 317.408 2.457 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CN(CCCF)CC1(C)C ZINC000974588212 633159907 /nfs/dbraw/zinc/15/99/07/633159907.db2.gz OPSSEIDREFCRFB-ILXRZTDVSA-N 0 3 312.429 2.154 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001015938608 633174379 /nfs/dbraw/zinc/17/43/79/633174379.db2.gz QGASEFRSJVZGDW-CYBMUJFWSA-N 0 3 313.323 2.481 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C(C)(C)C1 ZINC000974630180 633184845 /nfs/dbraw/zinc/18/48/45/633184845.db2.gz CCENVZIKCWTITG-HNNXBMFYSA-N 0 3 316.449 2.102 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CN([C@H](C)COC)CC1(C)C ZINC000974693999 633244083 /nfs/dbraw/zinc/24/40/83/633244083.db2.gz YGVPSADMJCHMFL-ZBFHGGJFSA-N 0 3 319.449 2.149 20 30 DEEDHN Cc1nc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cs1 ZINC000733680817 633261958 /nfs/dbraw/zinc/26/19/58/633261958.db2.gz IGYZUDPZUCNYSW-ZDUSSCGKSA-N 0 3 305.403 2.152 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001015957343 633266344 /nfs/dbraw/zinc/26/63/44/633266344.db2.gz UFWORTISWNLQSE-NSHDSACASA-N 0 3 310.829 2.016 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000124206631 633293207 /nfs/dbraw/zinc/29/32/07/633293207.db2.gz KQEISPUKOOFMEX-HOCLYGCPSA-N 0 3 316.401 2.432 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C(C)(C)C1 ZINC000974803969 633307723 /nfs/dbraw/zinc/30/77/23/633307723.db2.gz SYCGTFMPCVJXPT-BBWFWOEESA-N 0 3 320.477 2.452 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nncc3ccccc32)C(C)(C)C1 ZINC000974817497 633314363 /nfs/dbraw/zinc/31/43/63/633314363.db2.gz IOZHATIDJZKYLN-MRXNPFEDSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccn(C(C)C)n2)C(C)(C)C1 ZINC000974843365 633329304 /nfs/dbraw/zinc/32/93/04/633329304.db2.gz FUFQDGUKGQQKGC-INIZCTEOSA-N 0 3 318.465 2.409 20 30 DEEDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124441104 633384260 /nfs/dbraw/zinc/38/42/60/633384260.db2.gz SQVYUUXASVOEIO-SMDDNHRTSA-N 0 3 320.776 2.439 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001008774197 633385914 /nfs/dbraw/zinc/38/59/14/633385914.db2.gz DDIJQEUNCNRRSJ-CQSZACIVSA-N 0 3 317.458 2.167 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccnn2C(C)C)CC1 ZINC000997110949 633586269 /nfs/dbraw/zinc/58/62/69/633586269.db2.gz KGYCXMPBKDOQPR-OAHLLOKOSA-N 0 3 316.449 2.318 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000997147728 633629163 /nfs/dbraw/zinc/62/91/63/633629163.db2.gz SUJMXZNSODEYEZ-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027310001 633631103 /nfs/dbraw/zinc/63/11/03/633631103.db2.gz BUTZUBXPESRCQQ-INIZCTEOSA-N 0 3 323.400 2.018 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027319547 633647751 /nfs/dbraw/zinc/64/77/51/633647751.db2.gz KLMGWDVUBPXUSR-RHSMWYFYSA-N 0 3 315.417 2.016 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001027335234 633660262 /nfs/dbraw/zinc/66/02/62/633660262.db2.gz DPBYXUFINRUIRI-CZUORRHYSA-N 0 3 303.381 2.408 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc3ccc(C)cn32)CC1 ZINC000997220457 633679769 /nfs/dbraw/zinc/67/97/69/633679769.db2.gz FAHCMUGVBUFZBX-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nc(CC)oc2C)CC1 ZINC000997339559 633708035 /nfs/dbraw/zinc/70/80/35/633708035.db2.gz IMXNLDDBUFMPAZ-GFCCVEGCSA-N 0 3 303.406 2.009 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3c(c2)COC3)CC1 ZINC000997348967 633710760 /nfs/dbraw/zinc/71/07/60/633710760.db2.gz VVTQZSHJOSYUOG-CQSZACIVSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)noc2CCC)C1 ZINC001027409194 633747929 /nfs/dbraw/zinc/74/79/29/633747929.db2.gz FYFYPCIRXQRXKF-AWEZNQCLSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C(C)C)nn2C)CC1 ZINC000997373099 633748593 /nfs/dbraw/zinc/74/85/93/633748593.db2.gz OSXQYYQYANTDCM-CQSZACIVSA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)n(C)c2C)CC1 ZINC000997416922 633759232 /nfs/dbraw/zinc/75/92/32/633759232.db2.gz GAOQLFOXVNKDMB-CQSZACIVSA-N 0 3 301.434 2.105 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001027432497 633778734 /nfs/dbraw/zinc/77/87/34/633778734.db2.gz FBIBKFPLYFGXMD-HNNXBMFYSA-N 0 3 316.449 2.116 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2F)C1 ZINC001027440503 633789909 /nfs/dbraw/zinc/78/99/09/633789909.db2.gz IHMYEIOVWHJRFG-HNNXBMFYSA-N 0 3 317.408 2.061 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)noc2C(F)F)C1 ZINC001027460472 633828788 /nfs/dbraw/zinc/82/87/88/633828788.db2.gz LORWYKNYHFZUEO-LLVKDONJSA-N 0 3 311.332 2.090 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnoc2-c2ccco2)C1 ZINC001027469381 633841807 /nfs/dbraw/zinc/84/18/07/633841807.db2.gz YPCCLIJNBUZKKW-ZDUSSCGKSA-N 0 3 313.357 2.104 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(Cl)cn2C)CC1 ZINC000948602213 633854373 /nfs/dbraw/zinc/85/43/73/633854373.db2.gz GVWVUZSXQQIQRZ-CQSZACIVSA-N 0 3 307.825 2.238 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C(C)C)nn2CC)C1 ZINC001027476320 633857998 /nfs/dbraw/zinc/85/79/98/633857998.db2.gz JGDABMADWGAOKE-OAHLLOKOSA-N 0 3 316.449 2.196 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(OC)cc2F)C1 ZINC001027484019 633868886 /nfs/dbraw/zinc/86/88/86/633868886.db2.gz VDUXPMODBZFVSQ-ZDUSSCGKSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc3cc(C)ccn32)CC1 ZINC000997603102 633896317 /nfs/dbraw/zinc/89/63/17/633896317.db2.gz BYOLQNWQLPHYKS-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CN(CC)CC2(C)C)cc1 ZINC000977274736 633904979 /nfs/dbraw/zinc/90/49/79/633904979.db2.gz UERWAZREEBACDT-MRXNPFEDSA-N 0 3 300.402 2.159 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2scnc2COC)C(C)(C)C1 ZINC000977283129 633910714 /nfs/dbraw/zinc/91/07/14/633910714.db2.gz FCXXOSNYJHZBHU-CYBMUJFWSA-N 0 3 323.462 2.306 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cncc3[nH]ccc32)CC1 ZINC000997658902 633915118 /nfs/dbraw/zinc/91/51/18/633915118.db2.gz DWIWJNLBBUIJPJ-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c[nH]nc2C2CC2)CC1 ZINC000997820691 633999163 /nfs/dbraw/zinc/99/91/63/633999163.db2.gz OYSNLBUYYHRYAQ-ZDUSSCGKSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnoc2C(C)C)CC1 ZINC000997819793 633999225 /nfs/dbraw/zinc/99/92/25/633999225.db2.gz IOGYAUXMGYJOFV-ZDUSSCGKSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)C(C)(C)C1 ZINC000977480472 634013488 /nfs/dbraw/zinc/01/34/88/634013488.db2.gz ZLEFHSHNVJSHHH-MRXNPFEDSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccnn2C(C)C)CC1 ZINC000998023603 634115915 /nfs/dbraw/zinc/11/59/15/634115915.db2.gz RSRQDSNSCPUOJN-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2csc(=O)[nH]2)CC1 ZINC000998097055 634140979 /nfs/dbraw/zinc/14/09/79/634140979.db2.gz XRQZIHOUAXNVJP-CYBMUJFWSA-N 0 3 321.446 2.189 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccn(CC)n2)CC1 ZINC000998140560 634152924 /nfs/dbraw/zinc/15/29/24/634152924.db2.gz JWOXDKWRBUAROQ-INIZCTEOSA-N 0 3 316.449 2.243 20 30 DEEDHN CNC(=O)CC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000093587997 634171990 /nfs/dbraw/zinc/17/19/90/634171990.db2.gz HVSVVUOROYNJEW-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)C4CC=CC4)[C@@H]3C2)cc1 ZINC000977928408 634175479 /nfs/dbraw/zinc/17/54/79/634175479.db2.gz GLGKTTULTHWCTJ-LDLYASANSA-N 0 3 321.424 2.318 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccoc2)CC[C@H]1C(F)(F)F ZINC000998238949 634182387 /nfs/dbraw/zinc/18/23/87/634182387.db2.gz QJSZADRQFRWWBU-CHWSQXEVSA-N 0 3 316.323 2.377 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccccn2)CC[C@H]1C(F)(F)F ZINC000998242560 634184291 /nfs/dbraw/zinc/18/42/91/634184291.db2.gz YBHNXZIFMPPRKU-DGCLKSJQSA-N 0 3 313.323 2.250 20 30 DEEDHN CN(C(=O)C(F)F)C1CC(NCc2cc(C#N)ccc2F)C1 ZINC000998336069 634219308 /nfs/dbraw/zinc/21/93/08/634219308.db2.gz SDRPYLNSMUZXIG-UHFFFAOYSA-N 0 3 311.307 2.041 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)C2CCC2)C1 ZINC000998337528 634220272 /nfs/dbraw/zinc/22/02/72/634220272.db2.gz ABVKCXQLTMACRB-UHFFFAOYSA-N 0 3 301.228 2.274 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3sc(C)cc3C)[C@@H]2C1 ZINC000978214241 634245309 /nfs/dbraw/zinc/24/53/09/634245309.db2.gz SSOHARSUZUTLJA-QKDCVEJESA-N 0 3 302.443 2.296 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Cc2cccs2)C1 ZINC001027601234 634259543 /nfs/dbraw/zinc/25/95/43/634259543.db2.gz VBUDQPQAJARECT-CABCVRRESA-N 0 3 304.459 2.483 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001027604325 634263495 /nfs/dbraw/zinc/26/34/95/634263495.db2.gz OUVFFZMIHZZVOW-CQSZACIVSA-N 0 3 315.417 2.080 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc(C(C)C)nc2C)C1 ZINC001027605557 634269739 /nfs/dbraw/zinc/26/97/39/634269739.db2.gz RQPIUWLEYNNLBK-OAHLLOKOSA-N 0 3 314.433 2.078 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2oc(C(C)C)nc2C)C1 ZINC001027608429 634279874 /nfs/dbraw/zinc/27/98/74/634279874.db2.gz QEKAAUUXWTWLHY-CQSZACIVSA-N 0 3 303.406 2.276 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sc(CC)nc2C)C1 ZINC001027612175 634282767 /nfs/dbraw/zinc/28/27/67/634282767.db2.gz CCMHWYVINSMJGI-CYBMUJFWSA-N 0 3 305.447 2.184 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3c2ccn3C)C1 ZINC001027618826 634299722 /nfs/dbraw/zinc/29/97/22/634299722.db2.gz RFUSSOBTRDEJIU-OAHLLOKOSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cccc4)cc3)[C@@H]2C1 ZINC000978465796 634321847 /nfs/dbraw/zinc/32/18/47/634321847.db2.gz LENORXITTUXPIO-LDLYASANSA-N 0 3 319.408 2.018 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000998549292 634323367 /nfs/dbraw/zinc/32/33/67/634323367.db2.gz AQOYWNIJLVGOSJ-INIZCTEOSA-N 0 3 315.417 2.303 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001027632051 634346427 /nfs/dbraw/zinc/34/64/27/634346427.db2.gz HEKUFCZJRDNPAA-ZWKOTPCHSA-N 0 3 313.445 2.377 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)c3ccon3)C2)s1 ZINC000998623169 634355730 /nfs/dbraw/zinc/35/57/30/634355730.db2.gz JXJRAMOYLJKRON-LLVKDONJSA-N 0 3 316.386 2.002 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC001027636339 634357814 /nfs/dbraw/zinc/35/78/14/634357814.db2.gz ATCZACXVSXHSKX-HNNXBMFYSA-N 0 3 314.404 2.413 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001027883744 634855753 /nfs/dbraw/zinc/85/57/53/634855753.db2.gz SINNBNKINKKQCP-AWEZNQCLSA-N 0 3 318.421 2.034 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc2cc(C)ccn12 ZINC001027900856 634912232 /nfs/dbraw/zinc/91/22/32/634912232.db2.gz CCAOTXUOVWPTCP-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001027902320 634917511 /nfs/dbraw/zinc/91/75/11/634917511.db2.gz NHYASXQKTKDPQZ-ZDUSSCGKSA-N 0 3 304.365 2.052 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(OCC)c(OC)c2)C1 ZINC000980369638 634972442 /nfs/dbraw/zinc/97/24/42/634972442.db2.gz LEWOUYFAHUHCPE-HNNXBMFYSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001027938258 635013233 /nfs/dbraw/zinc/01/32/33/635013233.db2.gz WNEGWHCVAZNRHM-WBVHZDCISA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(N(CC)CC)nc2)C1 ZINC000980530794 635039339 /nfs/dbraw/zinc/03/93/39/635039339.db2.gz KZSFSRCPWAFJTD-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C[C@@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)C#CC1CC1 ZINC000980574285 635047900 /nfs/dbraw/zinc/04/79/00/635047900.db2.gz HHIIVRJSWDIJNJ-WBVHZDCISA-N 0 3 321.424 2.298 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001028011759 635244755 /nfs/dbraw/zinc/24/47/55/635244755.db2.gz XKWSNVQMPARCBD-MRXNPFEDSA-N 0 3 300.402 2.221 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC000980966267 635261428 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C#CCCN1CCC[C@@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028187904 635793256 /nfs/dbraw/zinc/79/32/56/635793256.db2.gz PYBUTHDEBAFJRV-UONOGXRCSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC3(C2)CCCN(CC=C)C3)cc1 ZINC000982055219 635846956 /nfs/dbraw/zinc/84/69/56/635846956.db2.gz OZIAZOYEDQONJA-UHFFFAOYSA-N 0 3 324.424 2.423 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2csc(C3CC3)n2)CC1 ZINC000982092704 635865424 /nfs/dbraw/zinc/86/54/24/635865424.db2.gz RWAAPHUVFBXGDA-UHFFFAOYSA-N 0 3 317.458 2.121 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4nccn4c3)C2)C1 ZINC000982109791 635874154 /nfs/dbraw/zinc/87/41/54/635874154.db2.gz AMFQCBILFSHBQX-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CCc3ccoc3)C[C@]2(C)C1 ZINC000982252702 635923253 /nfs/dbraw/zinc/92/32/53/635923253.db2.gz YUXJZAXPKQZAGS-KDURUIRLSA-N 0 3 314.429 2.406 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCOc3c(F)cccc32)CC1 ZINC001003281611 635932606 /nfs/dbraw/zinc/93/26/06/635932606.db2.gz HJORKIZVRSVVJK-OAHLLOKOSA-N 0 3 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322.412 2.084 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(OC)nc3)CCC[C@H]12 ZINC000991709716 646593048 /nfs/dbraw/zinc/59/30/48/646593048.db2.gz LESDDLQQUGUUGP-WMLDXEAASA-N 0 3 301.390 2.003 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(COC)o3)CCC[C@@H]12 ZINC000991758544 646613822 /nfs/dbraw/zinc/61/38/22/646613822.db2.gz XCOLBOWXXRHFLQ-NVXWUHKLSA-N 0 3 304.390 2.339 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)CCC[C@H]12 ZINC000991823427 646643046 /nfs/dbraw/zinc/64/30/46/646643046.db2.gz ZRJSOKXQFRJBPT-ZMMAXQRCSA-N 0 3 318.461 2.348 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)CCCC#N)cc2)CC1 ZINC000812455001 646657082 /nfs/dbraw/zinc/65/70/82/646657082.db2.gz UGFLQRVNPQHAMU-UHFFFAOYSA-N 0 3 300.406 2.461 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccccc2NC(=O)CC)CC1 ZINC000812502055 646662277 /nfs/dbraw/zinc/66/22/77/646662277.db2.gz FHDUWWVOTHTUNL-UHFFFAOYSA-N 0 3 315.417 2.415 20 30 DEEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000173332535 646765458 /nfs/dbraw/zinc/76/54/58/646765458.db2.gz 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C=CCN1CC[C@]2(NC(=O)c3ccc(N(C)C)cn3)CCC[C@@H]12 ZINC000992508249 647078410 /nfs/dbraw/zinc/07/84/10/647078410.db2.gz FWGOWVGZQSKGSR-SJLPKXTDSA-N 0 3 314.433 2.060 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3c[nH]c4ncccc34)CCC[C@H]12 ZINC000992513137 647081726 /nfs/dbraw/zinc/08/17/26/647081726.db2.gz OPXXBHYWABGUBY-LPHOPBHVSA-N 0 3 322.412 2.313 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)nc1 ZINC000731466528 647481657 /nfs/dbraw/zinc/48/16/57/647481657.db2.gz UJYUCAZVTGIZTD-MRXNPFEDSA-N 0 3 305.381 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OCC(C)C)cc1 ZINC000818584758 647483093 /nfs/dbraw/zinc/48/30/93/647483093.db2.gz XNQYXLGYPSYNQA-UHFFFAOYSA-N 0 3 302.418 2.406 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCOc1cc(C)ccc1C ZINC000818599326 647486626 /nfs/dbraw/zinc/48/66/26/647486626.db2.gz JMVNZACGUTWOEN-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C#CCN(C(=O)NCc1cc2ccccc2[nH]1)C1CCN(C)CC1 ZINC000915360900 647524615 /nfs/dbraw/zinc/52/46/15/647524615.db2.gz KNIQVNGRZICXMU-UHFFFAOYSA-N 0 3 324.428 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C#CCN1CCC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)[C@H]1C ZINC000993530857 647691126 /nfs/dbraw/zinc/69/11/26/647691126.db2.gz SBDQZQYVCWBLNA-ZYHUDNBSSA-N 0 3 320.824 2.156 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cccc(OCC)n2)[C@H]1C ZINC000993607060 647704984 /nfs/dbraw/zinc/70/49/84/647704984.db2.gz BCBCLBWDOOYTIQ-GDBMZVCRSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1C ZINC000993654906 647718461 /nfs/dbraw/zinc/71/84/61/647718461.db2.gz CFUJJFIUQDGEIQ-KGLIPLIRSA-N 0 3 303.406 2.173 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@H]1C ZINC000993631243 647718825 /nfs/dbraw/zinc/71/88/25/647718825.db2.gz MLZVMARNZXPWAQ-NVXWUHKLSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H]1C ZINC000993716774 647729909 /nfs/dbraw/zinc/72/99/09/647729909.db2.gz OKBLLPHPYCOXPX-CJNGLKHVSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]1C ZINC000993852229 647756181 /nfs/dbraw/zinc/75/61/81/647756181.db2.gz 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C=CCN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)[C@@H](C)C1 ZINC000942202330 649182529 /nfs/dbraw/zinc/18/25/29/649182529.db2.gz BLSIUYWTIMCCQC-GJZGRUSLSA-N 0 3 312.417 2.269 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)cn2C)[C@@H](C)C1 ZINC000942395692 649214683 /nfs/dbraw/zinc/21/46/83/649214683.db2.gz ZGSHMIXXBUQXOF-JSGCOSHPSA-N 0 3 307.825 2.142 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccnc2C(F)F)[C@@H](C)C1 ZINC000942405846 649217294 /nfs/dbraw/zinc/21/72/94/649217294.db2.gz IFBIKSCGTCSULH-JSGCOSHPSA-N 0 3 321.371 2.483 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@@H](C)C1 ZINC000942522803 649234197 /nfs/dbraw/zinc/23/41/97/649234197.db2.gz HKHZEQGIJDCHJM-SMDDNHRTSA-N 0 3 303.406 2.487 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnc3ccncc32)[C@H](C)C1 ZINC000942529826 649235297 /nfs/dbraw/zinc/23/52/97/649235297.db2.gz MTKRFLPSGXBFJI-RHSMWYFYSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000942583072 649253788 /nfs/dbraw/zinc/25/37/88/649253788.db2.gz 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C=C(C)CONC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000845597183 651258610 /nfs/dbraw/zinc/25/86/10/651258610.db2.gz MNVXXAULAZJCTE-INIZCTEOSA-N 0 3 303.406 2.458 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000845615736 651261267 /nfs/dbraw/zinc/26/12/67/651261267.db2.gz PRZOQCOPBKWXHD-WMLDXEAASA-N 0 3 303.406 2.456 20 30 DEEDHN N#CCOc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000847255799 651384610 /nfs/dbraw/zinc/38/46/10/651384610.db2.gz MCYRRLGHKPQHQC-CVEARBPZSA-N 0 3 313.401 2.336 20 30 DEEDHN COC(=O)c1cc(Cl)cc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000848400171 651456209 /nfs/dbraw/zinc/45/62/09/651456209.db2.gz APAXYSXJEGQLDA-CYBMUJFWSA-N 0 3 323.780 2.476 20 30 DEEDHN COC(=O)c1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848406594 651456799 /nfs/dbraw/zinc/45/67/99/651456799.db2.gz GSTXFYRJGCMDNE-CQSZACIVSA-N 0 3 302.378 2.284 20 30 DEEDHN COc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1C#N ZINC000855055472 651618553 /nfs/dbraw/zinc/61/85/53/651618553.db2.gz FPPZZAASBAAAQH-HZPDHXFCSA-N 0 3 313.401 2.314 20 30 DEEDHN C#Cc1cccc(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849488609 651681243 /nfs/dbraw/zinc/68/12/43/651681243.db2.gz CTNPIAZIJPDBDK-QZTJIDSGSA-N 0 3 322.412 2.075 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849587936 651687696 /nfs/dbraw/zinc/68/76/96/651687696.db2.gz JSEFKUDJWHXRKC-ZACQAIPSSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN(CCOC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000856386615 651915022 /nfs/dbraw/zinc/91/50/22/651915022.db2.gz LJBOKJTUHIPIPO-UHFFFAOYSA-N 0 3 314.429 2.394 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](OC)C2CCC2)cc1 ZINC000850761040 651982395 /nfs/dbraw/zinc/98/23/95/651982395.db2.gz GCDXHHGLRKEOBU-GOEBONIOSA-N 0 3 316.357 2.158 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](OC)C2)cc1 ZINC000850761077 651982697 /nfs/dbraw/zinc/98/26/97/651982697.db2.gz GOQMMBOKVHAIAQ-KCPJHIHWSA-N 0 3 316.357 2.158 20 30 DEEDHN Cc1ccn([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2)n1 ZINC000850760148 651982890 /nfs/dbraw/zinc/98/28/90/651982890.db2.gz QAEVVQVJCCCCEH-UKRRQHHQSA-N 0 3 310.357 2.490 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCCc1nc2ccccc2s1 ZINC000852101887 652339912 /nfs/dbraw/zinc/33/99/12/652339912.db2.gz UBVIKVXPIWNRRR-QGZVFWFLSA-N 0 3 315.442 2.347 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](Nc3ccnc(CO)c3)C2=O)cc1 ZINC000858476592 652345276 /nfs/dbraw/zinc/34/52/76/652345276.db2.gz QTAYUVRRQCUYJJ-KRWDZBQOSA-N 0 3 322.368 2.053 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCOc2ccccc2[C@@H]1C ZINC000852360001 652391770 /nfs/dbraw/zinc/39/17/70/652391770.db2.gz RTLKIIDFWSKVEU-HNNXBMFYSA-N 0 3 315.417 2.107 20 30 DEEDHN COC(=O)/C(C)=C\CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000852565119 652421987 /nfs/dbraw/zinc/42/19/87/652421987.db2.gz NEUFCJUDXYDOFB-NSIKDUERSA-N 0 3 314.385 2.273 20 30 DEEDHN C=CCN1CCC(Nc2ncnc(F)c2Br)CC1 ZINC000853288759 652534009 /nfs/dbraw/zinc/53/40/09/652534009.db2.gz FPERGMUXCWGBNU-UHFFFAOYSA-N 0 3 315.190 2.441 20 30 DEEDHN C=C(Cl)CON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000853663929 652586604 /nfs/dbraw/zinc/58/66/04/652586604.db2.gz DGOCSPHZLROEPY-UHFFFAOYSA-N 0 3 323.824 2.242 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000854057503 652636397 /nfs/dbraw/zinc/63/63/97/652636397.db2.gz MFEIQJGUKQOKBN-ROUUACIJSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000854057502 652636436 /nfs/dbraw/zinc/63/64/36/652636436.db2.gz MFEIQJGUKQOKBN-QZTJIDSGSA-N 0 3 313.445 2.357 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000854073154 652637805 /nfs/dbraw/zinc/63/78/05/652637805.db2.gz RELTXTFXGZUOMM-KRWDZBQOSA-N 0 3 301.434 2.480 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000854070214 652637879 /nfs/dbraw/zinc/63/78/79/652637879.db2.gz JXECWUYDVYDPRO-HNNXBMFYSA-N 0 3 305.397 2.311 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)[C@@H](C)C#N)CC2)cc1Cl ZINC001392887737 1157515270 /nfs/dbraw/zinc/51/52/70/1157515270.db2.gz BACXHQGMHQDXOT-NSHDSACASA-N 0 3 321.808 2.247 20 30 DEEDHN N#CC(C(=O)CCOC[C@@H]1CCCO1)c1nc2ccccc2[nH]1 ZINC000075830892 683938940 /nfs/dbraw/zinc/93/89/40/683938940.db2.gz YVHKIVKHEYAAFI-QWHCGFSZSA-N 0 3 313.357 2.325 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=CCCCO1 ZINC000080999839 683987303 /nfs/dbraw/zinc/98/73/03/683987303.db2.gz GHZPCVIQCZQRIG-UHFFFAOYSA-N 0 3 313.401 2.143 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1C ZINC000116591885 684065467 /nfs/dbraw/zinc/06/54/67/684065467.db2.gz JYVHRHFJCXHOEC-ZBFHGGJFSA-N 0 3 316.401 2.350 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001054035986 693817304 /nfs/dbraw/zinc/81/73/04/693817304.db2.gz ZASTVEZGRYVANZ-MSOLQXFVSA-N 0 3 314.429 2.142 20 30 DEEDHN N#CC(C(=O)Cc1ccc(F)c(F)c1)C(=O)NC1CCCC1 ZINC000120150573 684093195 /nfs/dbraw/zinc/09/31/95/684093195.db2.gz BXSIZOQTDMGJJH-LBPRGKRZSA-N 0 3 306.312 2.275 20 30 DEEDHN CCOCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000130286508 684187675 /nfs/dbraw/zinc/18/76/75/684187675.db2.gz ADUPVNBOHDSDNX-JTQLQIEISA-N 0 3 310.737 2.032 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccccc1Br ZINC000133348485 684218494 /nfs/dbraw/zinc/21/84/94/684218494.db2.gz MLNCKAZAUHSDGE-LLVKDONJSA-N 0 3 323.190 2.227 20 30 DEEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000133453130 684219752 /nfs/dbraw/zinc/21/97/52/684219752.db2.gz UWSQHCHOJRDKBD-CYBMUJFWSA-N 0 3 313.382 2.116 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(C1)CCCN(C(=O)c1cnc(C)[nH]1)C2 ZINC001054100227 693845305 /nfs/dbraw/zinc/84/53/05/693845305.db2.gz BKKKKDWDRWIVLR-INIZCTEOSA-N 0 3 322.840 2.399 20 30 DEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC000928803392 693846994 /nfs/dbraw/zinc/84/69/94/693846994.db2.gz RGHOSMCQHSJOLO-JOYOIKCWSA-N 0 3 309.307 2.160 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1oc(C)cc1C)C2 ZINC001054111470 693849085 /nfs/dbraw/zinc/84/90/85/693849085.db2.gz WYINFDVHXZGMIE-SFHVURJKSA-N 0 3 300.402 2.458 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC1(F)F)C2 ZINC001054151656 693863939 /nfs/dbraw/zinc/86/39/39/693863939.db2.gz OTLVTVDOPVAYOA-GOEBONIOSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)COC1CCCCC1)C2 ZINC001054156554 693865674 /nfs/dbraw/zinc/86/56/74/693865674.db2.gz TVWYQLDHPHQMRN-IBGZPJMESA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)cc(C)n1)C2 ZINC001054156479 693866042 /nfs/dbraw/zinc/86/60/42/693866042.db2.gz QLJSLKKZHXOUSM-LJQANCHMSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CCC(OC)CC1)C2 ZINC001054187116 693875058 /nfs/dbraw/zinc/87/50/58/693875058.db2.gz KWDOIVGFEXKDBL-FAFZWHIHSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)c1ccco1)C2 ZINC001054196979 693878076 /nfs/dbraw/zinc/87/80/76/693878076.db2.gz QHAADZCEDWVTQD-YJBOKZPZSA-N 0 3 300.402 2.331 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c(c1)CCO3)C2 ZINC001054203302 693881900 /nfs/dbraw/zinc/88/19/00/693881900.db2.gz QSUZWLJPJYHAQV-HXUWFJFHSA-N 0 3 324.424 2.183 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c(C)onc1CC)C2 ZINC001054238444 693895202 /nfs/dbraw/zinc/89/52/02/693895202.db2.gz UVVNTXIBXCOBSI-GOSISDBHSA-N 0 3 315.417 2.107 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2C1 ZINC001054255603 693902681 /nfs/dbraw/zinc/90/26/81/693902681.db2.gz VGDZXVOGCCMGIQ-QGZVFWFLSA-N 0 3 300.402 2.374 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cccnn3)cc2C1 ZINC001054287683 693915521 /nfs/dbraw/zinc/91/55/21/693915521.db2.gz XCNAOKDAUNTGJW-UHFFFAOYSA-N 0 3 308.385 2.298 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000859501622 685743673 /nfs/dbraw/zinc/74/36/73/685743673.db2.gz DGXHHZUXIFVFCG-ZKYQVNSYSA-N 0 3 314.307 2.439 20 30 DEEDHN CCO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(C)c1)C1CC1 ZINC000860692624 685951959 /nfs/dbraw/zinc/95/19/59/685951959.db2.gz PISQJOKOGLAIOQ-WBVHZDCISA-N 0 3 314.385 2.135 20 30 DEEDHN C#CC[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000862565802 686324836 /nfs/dbraw/zinc/32/48/36/686324836.db2.gz WPJGYTZXSXSWMF-WMZOPIPTSA-N 0 3 311.429 2.165 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1ccc(Cl)nc1 ZINC001054640168 694012925 /nfs/dbraw/zinc/01/29/25/694012925.db2.gz WZVQRURNFMSMFC-SWLSCSKDSA-N 0 3 317.820 2.085 20 30 DEEDHN N#Cc1cccc(OCC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000863035583 686422753 /nfs/dbraw/zinc/42/27/53/686422753.db2.gz XPNUACAIFSDYSV-MRXNPFEDSA-N 0 3 313.401 2.070 20 30 DEEDHN CON=Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000863034174 686423000 /nfs/dbraw/zinc/42/30/00/686423000.db2.gz RHSDRIYGOFKZFY-KRWDZBQOSA-N 0 3 315.417 2.414 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000863034890 686423318 /nfs/dbraw/zinc/42/33/18/686423318.db2.gz OZLKWMGQOGVICZ-KRWDZBQOSA-N 0 3 312.413 2.445 20 30 DEEDHN COc1cc(C(C)=NNc2ccnc(C)c2)cc(OC)c1O ZINC000863160660 686438983 /nfs/dbraw/zinc/43/89/83/686438983.db2.gz NUCPDXCZJQBNMA-UHFFFAOYSA-N 0 3 301.346 2.371 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000863392320 686490874 /nfs/dbraw/zinc/49/08/74/686490874.db2.gz KEVREJJNPMUJTQ-DOTOQJQBSA-N 0 3 318.367 2.282 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H](C)[C@H](NCc2cccnc2)C1 ZINC001054748268 694037860 /nfs/dbraw/zinc/03/78/60/694037860.db2.gz MLYUNNZKDXXFMK-DOTOQJQBSA-N 0 3 324.428 2.319 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](O)[C@H](C)c2ccccc2F)CC1 ZINC000865193815 686964554 /nfs/dbraw/zinc/96/45/54/686964554.db2.gz PBMNZLLARPQTKO-DYVFJYSZSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cc(OC)ns2)C1 ZINC001054976059 694087288 /nfs/dbraw/zinc/08/72/88/694087288.db2.gz IHLBUGXLWINAML-WCQYABFASA-N 0 3 323.462 2.300 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001054975582 694085907 /nfs/dbraw/zinc/08/59/07/694085907.db2.gz DONLEOBLDYFDJK-QWHCGFSZSA-N 0 3 319.453 2.077 20 30 DEEDHN C#C[C@H](NCC12CC(C1)CN2C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000865531647 687249135 /nfs/dbraw/zinc/24/91/35/687249135.db2.gz KWCRVIUMMZUUDW-QRHJNKNDSA-N 0 3 320.433 2.156 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001015794033 687424267 /nfs/dbraw/zinc/42/42/67/687424267.db2.gz DZWCNJALGZLALZ-HUUCEWRRSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001015799750 687426945 /nfs/dbraw/zinc/42/69/45/687426945.db2.gz ZTOVGOFMVFWLHA-CYBMUJFWSA-N 0 3 305.447 2.330 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(C(C)C)nc2C)C1 ZINC001015800358 687427043 /nfs/dbraw/zinc/42/70/43/687427043.db2.gz PMCZXNUYUAZZLG-AWEZNQCLSA-N 0 3 302.422 2.289 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)nc1 ZINC001016021746 687502398 /nfs/dbraw/zinc/50/23/98/687502398.db2.gz AFTADDVEKWYMAR-QGZVFWFLSA-N 0 3 309.413 2.367 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)nc1 ZINC001016025089 687503575 /nfs/dbraw/zinc/50/35/75/687503575.db2.gz UZYOPHXSOSWBJP-SFHVURJKSA-N 0 3 319.408 2.376 20 30 DEEDHN CN(CCN1CC2(C1)CCOCC2)c1ccc(Cl)c(C#N)n1 ZINC000866257189 687510865 /nfs/dbraw/zinc/51/08/65/687510865.db2.gz XQMNXPOYQXMZFV-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN 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C=CCN1CC[C@H](N(CC)C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001033982477 689684062 /nfs/dbraw/zinc/68/40/62/689684062.db2.gz RZUYYADOETUMNG-INIZCTEOSA-N 0 3 317.433 2.462 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnn(CC(C)C)c2)C1 ZINC001033997382 689687301 /nfs/dbraw/zinc/68/73/01/689687301.db2.gz GZRYTCKTNONQGJ-QGZVFWFLSA-N 0 3 316.449 2.099 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(CC)nn2C)C1 ZINC001034002096 689688405 /nfs/dbraw/zinc/68/84/05/689688405.db2.gz OVMBOMNFGORBKC-OAHLLOKOSA-N 0 3 304.438 2.095 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccccc2OC)C1 ZINC001034026709 689698386 /nfs/dbraw/zinc/69/83/86/689698386.db2.gz XOIDZITZJWJQKO-OAHLLOKOSA-N 0 3 300.402 2.255 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034047069 689705109 /nfs/dbraw/zinc/70/51/09/689705109.db2.gz XZXNPUNPDMVYRD-ZBFHGGJFSA-N 0 3 316.449 2.014 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876279649 689793396 /nfs/dbraw/zinc/79/33/96/689793396.db2.gz SBFJHJMMFMXIJU-QGZVFWFLSA-N 0 3 314.433 2.007 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001034285733 689795289 /nfs/dbraw/zinc/79/52/89/689795289.db2.gz FYWHZXYSHWBTCW-CQSZACIVSA-N 0 3 304.438 2.143 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2nc(C)c(C)nc2C)C1 ZINC001034302279 689801509 /nfs/dbraw/zinc/80/15/09/689801509.db2.gz VYOVFLZGTDZSLD-MRXNPFEDSA-N 0 3 314.433 2.009 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001034316015 689807826 /nfs/dbraw/zinc/80/78/26/689807826.db2.gz MGCDTRPILNVSIJ-AWEZNQCLSA-N 0 3 307.463 2.459 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001034338167 689814228 /nfs/dbraw/zinc/81/42/28/689814228.db2.gz BFUHRYKYVIDMPO-WMZOPIPTSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001034396928 689834762 /nfs/dbraw/zinc/83/47/62/689834762.db2.gz IXUVFTFGXOEGDH-QGZVFWFLSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC001034398667 689835811 /nfs/dbraw/zinc/83/58/11/689835811.db2.gz LOKUXJQNHDKFFY-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001034427180 689846205 /nfs/dbraw/zinc/84/62/05/689846205.db2.gz SZMUZKOHYSRCHI-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)C[C@H]1COc2ccccc2O1 ZINC000876557605 689855933 /nfs/dbraw/zinc/85/59/33/689855933.db2.gz ZWPGMHVKQPBFRI-STQMWFEESA-N 0 3 324.808 2.145 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccc2c(c1)OCO2 ZINC000876561884 689857292 /nfs/dbraw/zinc/85/72/92/689857292.db2.gz MMMIGSHIZKPQSS-LBPRGKRZSA-N 0 3 310.781 2.234 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001034473075 689862974 /nfs/dbraw/zinc/86/29/74/689862974.db2.gz BSEXTGJZGSZWER-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000876611017 689876204 /nfs/dbraw/zinc/87/62/04/689876204.db2.gz OKVZECXQSBYUEX-JOYOIKCWSA-N 0 3 318.751 2.318 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000876612549 689876303 /nfs/dbraw/zinc/87/63/03/689876303.db2.gz PGVMOAPHYHJBJW-LBPRGKRZSA-N 0 3 311.769 2.298 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000876612311 689876492 /nfs/dbraw/zinc/87/64/92/689876492.db2.gz INSCCBXXSVHDPB-LBPRGKRZSA-N 0 3 309.753 2.052 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000876623773 689880114 /nfs/dbraw/zinc/88/01/14/689880114.db2.gz UAQYBDFCCPOPMK-NWDGAFQWSA-N 0 3 324.812 2.471 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC(=O)OC)c1ccccc1 ZINC000876650333 689889248 /nfs/dbraw/zinc/88/92/48/689889248.db2.gz BNLYTUMGLDLNBM-UONOGXRCSA-N 0 3 324.808 2.267 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000876684232 689901841 /nfs/dbraw/zinc/90/18/41/689901841.db2.gz KDORQRQKVOLYBR-KGLIPLIRSA-N 0 3 300.830 2.407 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000876705460 689910142 /nfs/dbraw/zinc/91/01/42/689910142.db2.gz OFDNBYSPJXNQDV-LEWSCRJBSA-N 0 3 314.788 2.224 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(=O)OCC)Cc1ccccc1 ZINC000876873478 689960260 /nfs/dbraw/zinc/96/02/60/689960260.db2.gz HTXWVHCCGAJGEB-AWEZNQCLSA-N 0 3 324.808 2.048 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000876887924 689964803 /nfs/dbraw/zinc/96/48/03/689964803.db2.gz JRCSMBBZCWZYAT-YGRLFVJLSA-N 0 3 324.808 2.447 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC000876887814 689964899 /nfs/dbraw/zinc/96/48/99/689964899.db2.gz HGXHFNOCZZHBLB-CQSZACIVSA-N 0 3 323.824 2.240 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000876894818 689966428 /nfs/dbraw/zinc/96/64/28/689966428.db2.gz SEDACJHMUSUHMH-CYBMUJFWSA-N 0 3 300.736 2.319 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000876895554 689966752 /nfs/dbraw/zinc/96/67/52/689966752.db2.gz DTOFNKUVWKYUKI-OLZOCXBDSA-N 0 3 318.751 2.238 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCCc1nccn1CCC ZINC000876899395 689968015 /nfs/dbraw/zinc/96/80/15/689968015.db2.gz WSODBTZALIJNMQ-CYBMUJFWSA-N 0 3 312.845 2.154 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000876899031 689968345 /nfs/dbraw/zinc/96/83/45/689968345.db2.gz SBAYUUWKUBRCEK-UONOGXRCSA-N 0 3 321.808 2.070 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000876905274 689969466 /nfs/dbraw/zinc/96/94/66/689969466.db2.gz RMFXWIQTFFWTBY-LLVKDONJSA-N 0 3 309.753 2.262 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@H]1c1noc(C)n1 ZINC000876906299 689970275 /nfs/dbraw/zinc/97/02/75/689970275.db2.gz VWIMRVKVYUYJSG-RYUDHWBXSA-N 0 3 312.801 2.292 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000876942510 689978966 /nfs/dbraw/zinc/97/89/66/689978966.db2.gz YVWWBLCHCSGHGH-ZDUSSCGKSA-N 0 3 300.830 2.408 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001034935624 689995434 /nfs/dbraw/zinc/99/54/34/689995434.db2.gz VJINJVCVEALYGR-OAHLLOKOSA-N 0 3 317.820 2.229 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000877076405 690013925 /nfs/dbraw/zinc/01/39/25/690013925.db2.gz WTSWDJOBBGRAQM-ZDUSSCGKSA-N 0 3 323.437 2.294 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CN[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001035044367 690020560 /nfs/dbraw/zinc/02/05/60/690020560.db2.gz GCHRNXUMMVKCOA-GXTWGEPZSA-N 0 3 317.437 2.111 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000877384305 690096185 /nfs/dbraw/zinc/09/61/85/690096185.db2.gz XPBAIHBJDIFBNK-KXUCPTDWSA-N 0 3 314.735 2.025 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCc2cn3c(n2)SCC3)c1 ZINC000877391224 690098694 /nfs/dbraw/zinc/09/86/94/690098694.db2.gz BRBVYMUFOIHSKP-UHFFFAOYSA-N 0 3 319.821 2.241 20 30 DEEDHN C#CCOc1ccc(CNCc2cc(C)c(C(=O)OC)[nH]2)cc1 ZINC000877569082 690154306 /nfs/dbraw/zinc/15/43/06/690154306.db2.gz ZNFPOMMLXJNMNU-UHFFFAOYSA-N 0 3 312.369 2.412 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cncs1)CC2 ZINC001035727699 690162346 /nfs/dbraw/zinc/16/23/46/690162346.db2.gz WTRXHKPTFJYNOK-UHFFFAOYSA-N 0 3 305.447 2.186 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1nc(C)sc1C)CC2 ZINC001035730264 690163241 /nfs/dbraw/zinc/16/32/41/690163241.db2.gz NLXICUBOUZWEIW-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(CN2CC[C@](O)(CC#N)C2)CCC1 ZINC000877605987 690165518 /nfs/dbraw/zinc/16/55/18/690165518.db2.gz MMBALNMDIQGTPC-QGZVFWFLSA-N 0 3 323.437 2.032 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CC2 ZINC001035753008 690168698 /nfs/dbraw/zinc/16/86/98/690168698.db2.gz MRNBBSXLCIJCNW-YESZJQIVSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC2(CN(CCn3cccn3)C2)CC1 ZINC001035764305 690170353 /nfs/dbraw/zinc/17/03/53/690170353.db2.gz DXALIYAQBMMTPO-UHFFFAOYSA-N 0 3 316.449 2.020 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc3nccn3c1)CC2 ZINC001035833868 690188304 /nfs/dbraw/zinc/18/83/04/690188304.db2.gz YOAQHULXYNKXCD-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C)n(C)c1C)CC2 ZINC001035850307 690193214 /nfs/dbraw/zinc/19/32/14/690193214.db2.gz XHOJBKROEOGKDF-UHFFFAOYSA-N 0 3 313.445 2.203 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CCC3(CCNC3=O)CC2)cc1 ZINC000877783040 690226967 /nfs/dbraw/zinc/22/69/67/690226967.db2.gz AGPZVOGMRCERTP-CQSZACIVSA-N 0 3 313.401 2.080 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cnns3)[C@H](C)C2)C1 ZINC001036168619 690279721 /nfs/dbraw/zinc/27/97/21/690279721.db2.gz JAPNUJPPWNOUNL-TZMCWYRMSA-N 0 3 320.462 2.221 20 30 DEEDHN Cc1oncc1CNC[C@H]1[C@H](C)CCCN1C(=O)C#CC1CC1 ZINC001036550312 690382710 /nfs/dbraw/zinc/38/27/10/690382710.db2.gz SBQVLCNNXWMFSQ-DYVFJYSZSA-N 0 3 315.417 2.113 20 30 DEEDHN Cc1oncc1CNC[C@@H]1[C@H](C)CCCN1C(=O)C#CC1CC1 ZINC001036550311 690382947 /nfs/dbraw/zinc/38/29/47/690382947.db2.gz SBQVLCNNXWMFSQ-CXAGYDPISA-N 0 3 315.417 2.113 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@H]1CCC[C@H]1NC(=O)C1CC1 ZINC001036917920 690527866 /nfs/dbraw/zinc/52/78/66/690527866.db2.gz DKHJQJLXVURUKA-RHSMWYFYSA-N 0 3 315.392 2.482 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@H](C)C(O)[C@@H](C)C1)c1ccccc1 ZINC000878936880 690531747 /nfs/dbraw/zinc/53/17/47/690531747.db2.gz YIXUDSBMRGOABI-YZVOILCLSA-N 0 3 314.429 2.376 20 30 DEEDHN CN(CCC(C)(C)C#N)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879080657 690564205 /nfs/dbraw/zinc/56/42/05/690564205.db2.gz NRMNJAIUAYJEGN-ZDUSSCGKSA-N 0 3 313.442 2.086 20 30 DEEDHN CCOC(=O)[C@@H]1CN(CCCSCC#N)CCC1(F)F ZINC000879370249 690629748 /nfs/dbraw/zinc/62/97/48/690629748.db2.gz REYYEQBYJFNBKH-NSHDSACASA-N 0 3 306.378 2.154 20 30 DEEDHN CC(C)(NCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCCO1 ZINC000879407583 690635560 /nfs/dbraw/zinc/63/55/60/690635560.db2.gz PKJJAWBJKZIJKV-HNNXBMFYSA-N 0 3 301.390 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2nccn2C)[C@H](CC)C1 ZINC001037906518 690637846 /nfs/dbraw/zinc/63/78/46/690637846.db2.gz RQGYVHVAMWCUEB-HUUCEWRRSA-N 0 3 318.465 2.349 20 30 DEEDHN N#CCSCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585255 690681210 /nfs/dbraw/zinc/68/12/10/690681210.db2.gz BZFAQODJGRDXSE-UHFFFAOYSA-N 0 3 300.431 2.327 20 30 DEEDHN CC1(C)OC[C@H](CCN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586422 690681934 /nfs/dbraw/zinc/68/19/34/690681934.db2.gz LYQDPPXSOCVVKM-KRWDZBQOSA-N 0 3 315.417 2.222 20 30 DEEDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000879648041 690698567 /nfs/dbraw/zinc/69/85/67/690698567.db2.gz WSTOZUFPCJDIMH-HIFRSBDPSA-N 0 3 312.369 2.354 20 30 DEEDHN C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1[O-] ZINC000879650381 690699333 /nfs/dbraw/zinc/69/93/33/690699333.db2.gz YBEKMTWSBWKGDN-ZFWWWQNUSA-N 0 3 312.369 2.354 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000879994715 690775347 /nfs/dbraw/zinc/77/53/47/690775347.db2.gz LMHCTWNRUBQRJK-BEFAXECRSA-N 0 3 311.429 2.337 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001038408949 690810407 /nfs/dbraw/zinc/81/04/07/690810407.db2.gz KMHFXTUXVGMJBB-GJZGRUSLSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001038506529 690843913 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CC#CCN1CCC[C@H](NC(=O)c2cnc3cc(C)ccn23)CC1 ZINC001052411406 693528515 /nfs/dbraw/zinc/52/85/15/693528515.db2.gz GZEJDJQYRYYUHC-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2nc(C)c(C)nc2C)CC1 ZINC001052545016 693563964 /nfs/dbraw/zinc/56/39/64/693563964.db2.gz YVSILHJUBOMCDR-MRXNPFEDSA-N 0 3 314.433 2.009 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2scnc2C(F)F)CC1 ZINC001052551660 693565709 /nfs/dbraw/zinc/56/57/09/693565709.db2.gz HYNJTCRWEPPZDH-JTQLQIEISA-N 0 3 313.373 2.298 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC001052748307 693610090 /nfs/dbraw/zinc/61/00/90/693610090.db2.gz LJEJFWXNQDXBOH-OALUTQOASA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2noc3c2CCCCC3)CC1 ZINC001052758193 693612793 /nfs/dbraw/zinc/61/27/93/693612793.db2.gz SRCGOJGYUYMVCF-AWEZNQCLSA-N 0 3 315.417 2.161 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3cnccc3c2)CC1 ZINC001052848067 693632821 /nfs/dbraw/zinc/63/28/21/693632821.db2.gz VYTXMOFDJHGODH-GOSISDBHSA-N 0 3 307.397 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CC(C)OCCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001379065434 1152555152 /nfs/dbraw/zinc/55/51/52/1152555152.db2.gz OUSNWOFMNTVXEE-CYBMUJFWSA-N 0 3 323.462 2.371 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC001379491802 1152632474 /nfs/dbraw/zinc/63/24/74/1152632474.db2.gz LIQBLRFNBOEYKT-SWLSCSKDSA-N 0 3 315.417 2.207 20 30 DEEDHN CC(C)N1CCCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC001361731577 1152726446 /nfs/dbraw/zinc/72/64/46/1152726446.db2.gz LTJIMZRZQXHAEU-UHFFFAOYSA-N 0 3 306.797 2.163 20 30 DEEDHN Cc1nc(C)c(CN2CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001380131971 1152754065 /nfs/dbraw/zinc/75/40/65/1152754065.db2.gz BYWNVVHPDYPXGM-RYUDHWBXSA-N 0 3 318.421 2.168 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001480639361 1152978371 /nfs/dbraw/zinc/97/83/71/1152978371.db2.gz ZGVWTIWIZPLICS-CYBMUJFWSA-N 0 3 324.371 2.106 20 30 DEEDHN CCO[C@@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC001402890772 1162519455 /nfs/dbraw/zinc/51/94/55/1162519455.db2.gz 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C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)COCC(F)F ZINC001389354374 1155318070 /nfs/dbraw/zinc/31/80/70/1155318070.db2.gz RKXPPLFAKSAXDB-NWDGAFQWSA-N 0 3 324.799 2.380 20 30 DEEDHN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001389518677 1155360082 /nfs/dbraw/zinc/36/00/82/1155360082.db2.gz BWFHLPSRDDFKCX-CQSZACIVSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccn(CC)n1 ZINC001403084797 1162697390 /nfs/dbraw/zinc/69/73/90/1162697390.db2.gz BPOHMDLDKMPOBL-UHFFFAOYSA-N 0 3 312.845 2.343 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001389675858 1155393640 /nfs/dbraw/zinc/39/36/40/1155393640.db2.gz NWMFJBWALCIDSP-GXTWGEPZSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC001389910376 1155468892 /nfs/dbraw/zinc/46/88/92/1155468892.db2.gz VRHXTJXTWOSERD-XUXIUFHCSA-N 0 3 300.830 2.323 20 30 DEEDHN C[C@@H](CNC(=O)c1ccoc1)NCc1ccc(F)c(C#N)c1 ZINC001390305868 1155637281 /nfs/dbraw/zinc/63/72/81/1155637281.db2.gz DGVCJPJBFQVPKH-NSHDSACASA-N 0 3 301.321 2.198 20 30 DEEDHN C[C@@H](CNC(=O)CC[C@@H]1CCOC1)NCc1ccc(C#N)s1 ZINC001390329261 1155652577 /nfs/dbraw/zinc/65/25/77/1155652577.db2.gz PTSUMZNEFKZJPT-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN CC(=O)CCCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001371114773 1155716581 /nfs/dbraw/zinc/71/65/81/1155716581.db2.gz MYZJRIXQWRXITR-LBPRGKRZSA-N 0 3 319.380 2.051 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)[C@@H](F)C(C)C)cc1C#N ZINC001371321008 1155822713 /nfs/dbraw/zinc/82/27/13/1155822713.db2.gz QAYVNZGNAWOARV-WBMJQRKESA-N 0 3 321.396 2.155 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc(C2CC2)nc1 ZINC001390697963 1155841693 /nfs/dbraw/zinc/84/16/93/1155841693.db2.gz DZIPWQXYSJWIFA-NSHDSACASA-N 0 3 308.813 2.205 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(OC)c(C)c1 ZINC001390890536 1155921994 /nfs/dbraw/zinc/92/19/94/1155921994.db2.gz RVPNLYKJAYYYOI-CQSZACIVSA-N 0 3 303.406 2.101 20 30 DEEDHN CO[C@H](C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1)C(C)C ZINC001403159979 1162800571 /nfs/dbraw/zinc/80/05/71/1162800571.db2.gz ANOLNKCOJUKWBZ-PBHICJAKSA-N 0 3 317.433 2.166 20 30 DEEDHN CC[C@H](CNC(=O)c1nccs1)NCc1ccc(C#N)s1 ZINC001391727117 1156746966 /nfs/dbraw/zinc/74/69/66/1156746966.db2.gz CDPOWQAGFMIWNF-SNVBAGLBSA-N 0 3 320.443 2.374 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)CCCF ZINC001391912578 1156831152 /nfs/dbraw/zinc/83/11/52/1156831152.db2.gz ATCGSYADLLODAD-GFCCVEGCSA-N 0 3 309.360 2.289 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@@H]1C[C@H]1C ZINC001391928518 1156835459 /nfs/dbraw/zinc/83/54/59/1156835459.db2.gz DONVIZMLDXHZCQ-XHBSWPGZSA-N 0 3 303.381 2.195 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@]2(C)CCOC2)CCCC1 ZINC001392025970 1156851740 /nfs/dbraw/zinc/85/17/40/1156851740.db2.gz ZALFQYVMJYJBSZ-AWEZNQCLSA-N 0 3 300.830 2.184 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)N(C)C(=O)C1(C)CC1 ZINC001392058535 1156859240 /nfs/dbraw/zinc/85/92/40/1156859240.db2.gz DSCWVMZWFAKSLC-CYBMUJFWSA-N 0 3 315.417 2.303 20 30 DEEDHN C[C@@H](CNCc1ccccc1Cl)NC(=O)c1cc(C#N)c[nH]1 ZINC001392554014 1157127093 /nfs/dbraw/zinc/12/70/93/1157127093.db2.gz WYYYJIVRBRXPDE-NSHDSACASA-N 0 3 316.792 2.448 20 30 DEEDHN CCCC(=O)NC[C@H](CC)NCc1cc(C#N)ccc1OC ZINC001373726944 1157316014 /nfs/dbraw/zinc/31/60/14/1157316014.db2.gz XFVDGNBOXPOELO-HNNXBMFYSA-N 0 3 303.406 2.351 20 30 DEEDHN CCc1nc(C)c(CNC[C@](C)(NC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001373874832 1157425974 /nfs/dbraw/zinc/42/59/74/1157425974.db2.gz MONIERCSCKKYBT-DIFFPNOSSA-N 0 3 318.421 2.080 20 30 DEEDHN CC[C@@H](C)OCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001392900507 1157529293 /nfs/dbraw/zinc/52/92/93/1157529293.db2.gz GLGTVBNPAPUUOO-CQSZACIVSA-N 0 3 315.417 2.112 20 30 DEEDHN Cc1cc(CNC2(CNC(=O)c3c[nH]c(C#N)c3)CC2)cs1 ZINC001392902665 1157530822 /nfs/dbraw/zinc/53/08/22/1157530822.db2.gz ROCNFWXHBPEDPY-UHFFFAOYSA-N 0 3 314.414 2.309 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cccc(=O)[nH]2)CCCC1 ZINC001374153770 1157671183 /nfs/dbraw/zinc/67/11/83/1157671183.db2.gz WICWSRGLWYTPNV-UHFFFAOYSA-N 0 3 309.797 2.172 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001393150503 1157723783 /nfs/dbraw/zinc/72/37/83/1157723783.db2.gz ULTGFIOYSYXCCD-QAHDKZLHSA-N 0 3 304.221 2.293 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001403470321 1162892448 /nfs/dbraw/zinc/89/24/48/1162892448.db2.gz HKKJZSXPMGYUMP-WCQYABFASA-N 0 3 324.856 2.316 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001374472722 1157868375 /nfs/dbraw/zinc/86/83/75/1157868375.db2.gz UTVXACZLSSSADM-LRDDRELGSA-N 0 3 303.381 2.363 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001374755234 1158007869 /nfs/dbraw/zinc/00/78/69/1158007869.db2.gz NJWOZBUGULWRFQ-GFCCVEGCSA-N 0 3 316.430 2.175 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375087465 1158301628 /nfs/dbraw/zinc/30/16/28/1158301628.db2.gz QTMOPAWRADTSFL-XJKSGUPXSA-N 0 3 305.397 2.489 20 30 DEEDHN CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC/C=C/Cl ZINC001394711434 1158717549 /nfs/dbraw/zinc/71/75/49/1158717549.db2.gz IPHGUPAHTOVRLL-OOPCZODUSA-N 0 3 306.797 2.079 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(Cc2cccc3cccnc32)C1 ZINC001375817710 1158881623 /nfs/dbraw/zinc/88/16/23/1158881623.db2.gz BOXGXRZIPJJPRX-IFXJQAMLSA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CC2(C)CC2)C1 ZINC001376379691 1159373846 /nfs/dbraw/zinc/37/38/46/1159373846.db2.gz ZQTYXUZKGIXYTA-XYPYZODXSA-N 0 3 301.228 2.322 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)Cn2ccnc2C)C1 ZINC001376630573 1159616552 /nfs/dbraw/zinc/61/65/52/1159616552.db2.gz YEXFXLAENXPREG-ZFWWWQNUSA-N 0 3 324.856 2.161 20 30 DEEDHN C[C@H](CNC(=O)c1ccccn1)NCc1ccc(C#N)c(F)c1 ZINC001376676929 1159670147 /nfs/dbraw/zinc/67/01/47/1159670147.db2.gz DYYVBQMRBSTKRD-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC1(C)C)NCc1ccc(F)c(C#N)c1 ZINC001376710810 1159713293 /nfs/dbraw/zinc/71/32/93/1159713293.db2.gz KHKFZCUFNFFPLQ-BXUZGUMPSA-N 0 3 303.381 2.338 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001397078734 1159950531 /nfs/dbraw/zinc/95/05/31/1159950531.db2.gz KQZAPLUHJLCHQP-CFVMTHIKSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)[C@H]2CCCO2)C1 ZINC001397097666 1159980418 /nfs/dbraw/zinc/98/04/18/1159980418.db2.gz KVZVZNYMVMMYOA-REBRKWNGSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001397097675 1159980582 /nfs/dbraw/zinc/98/05/82/1159980582.db2.gz KVZVZNYMVMMYOA-RZFFKMDDSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](OC)C(C)C)C1 ZINC001397709542 1160412950 /nfs/dbraw/zinc/41/29/50/1160412950.db2.gz AXUHMOVRRGSOII-BFHYXJOUSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](OC)C1CCCC1 ZINC001377519385 1160471366 /nfs/dbraw/zinc/47/13/66/1160471366.db2.gz XPRJUABRJTYAON-GXTWGEPZSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@@H](CNC(=O)c1ccsn1)NCc1ccc(F)c(C#N)c1 ZINC001398972907 1161173268 /nfs/dbraw/zinc/17/32/68/1161173268.db2.gz JAJASWYRDOHHFD-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2nccn2c1 ZINC001399387173 1161372988 /nfs/dbraw/zinc/37/29/88/1161372988.db2.gz AKGIXRUBUITHFB-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccn2cc(C)nc2c1 ZINC001399406813 1161380998 /nfs/dbraw/zinc/38/09/98/1161380998.db2.gz YUAHGHNATGKFJS-GFCCVEGCSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CCCCN1C ZINC001401279412 1161914049 /nfs/dbraw/zinc/91/40/49/1161914049.db2.gz DLEUVSZQJOZSAH-GJZGRUSLSA-N 0 3 315.889 2.344 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001401741399 1162102850 /nfs/dbraw/zinc/10/28/50/1162102850.db2.gz SMOXFWKTSVENQV-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccon1 ZINC001402018794 1162217717 /nfs/dbraw/zinc/21/77/17/1162217717.db2.gz NVQXORKSZLQHTH-JSGCOSHPSA-N 0 3 311.813 2.329 20 30 DEEDHN Cc1ccncc1CN1CC[C@]2(NC(=O)[C@@H](C)C#N)CCC[C@@H]12 ZINC001403805603 1163207638 /nfs/dbraw/zinc/20/76/38/1163207638.db2.gz VTMZTBDJFCRYRG-YXJHDRRASA-N 0 3 312.417 2.163 20 30 DEEDHN CC[C@@H](CNC(=O)C(C)(F)F)NCc1ccc(C#N)cc1F ZINC001405201552 1164011387 /nfs/dbraw/zinc/01/13/87/1164011387.db2.gz WAJUTOMPBNICJI-LBPRGKRZSA-N 0 3 313.323 2.337 20 30 DEEDHN CC(C)OCC(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001405793235 1164243312 /nfs/dbraw/zinc/24/33/12/1164243312.db2.gz IMNZIRJLWYOPNV-CYBMUJFWSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(CCN(C)Cc2cncs2)CC1 ZINC001405971736 1164364770 /nfs/dbraw/zinc/36/47/70/1164364770.db2.gz RDXYZODRAAKHEX-ZDUSSCGKSA-N 0 3 320.462 2.363 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ncccc1OC)C(C)C ZINC001406060721 1164416447 /nfs/dbraw/zinc/41/64/47/1164416447.db2.gz FQVMOCMEEWXABW-GFCCVEGCSA-N 0 3 311.813 2.187 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccc2c(c1)COC2 ZINC001492949981 1164515608 /nfs/dbraw/zinc/51/56/08/1164515608.db2.gz FCSPWPTUEHPQNB-UHFFFAOYSA-N 0 3 312.413 2.068 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)CCCC(C)=O)[C@@H](C)C1 ZINC001407093220 1164965827 /nfs/dbraw/zinc/96/58/27/1164965827.db2.gz RPWMOHDZAFWHCI-GXTWGEPZSA-N 0 3 300.830 2.467 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)CCc1c[nH]cn1)C1CCCC1 ZINC001407154813 1165011905 /nfs/dbraw/zinc/01/19/05/1165011905.db2.gz YEFGDBXQOGBWBI-OAHLLOKOSA-N 0 3 324.856 2.359 20 30 DEEDHN COCCC(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001407875898 1165361311 /nfs/dbraw/zinc/36/13/11/1165361311.db2.gz LBSMIXGFSVHVOY-UHFFFAOYSA-N 0 3 321.396 2.014 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccoc2C)CCOCC1 ZINC001408046358 1165445430 /nfs/dbraw/zinc/44/54/30/1165445430.db2.gz YENFGKLVWVOYCK-UHFFFAOYSA-N 0 3 312.797 2.209 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(C)(NC/C(Cl)=C\Cl)CC1 ZINC001408089706 1165471340 /nfs/dbraw/zinc/47/13/40/1165471340.db2.gz QEYAOGPNXYHJJG-UEUZTHOGSA-N 0 3 304.221 2.436 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001417968488 1167335597 /nfs/dbraw/zinc/33/55/97/1167335597.db2.gz IAURKYLMLDJKJH-BONVTDFDSA-N 0 3 307.344 2.109 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001418121030 1167422599 /nfs/dbraw/zinc/42/25/99/1167422599.db2.gz HCQCAITWYWDCJO-JSGCOSHPSA-N 0 3 318.421 2.033 20 30 DEEDHN C[C@@H](CNC(=O)C1(CCF)CC1)NCc1ccc(F)c(C#N)c1 ZINC001418268175 1167533860 /nfs/dbraw/zinc/53/38/60/1167533860.db2.gz XICVNVBMQBHMEE-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN COCc1ccc(CN2CCC[C@H]2CNC(=O)[C@H](C)C#N)cc1 ZINC001418593428 1167831822 /nfs/dbraw/zinc/83/18/22/1167831822.db2.gz NDHJDFYSCRFJIZ-PBHICJAKSA-N 0 3 315.417 2.073 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001419548333 1168589699 /nfs/dbraw/zinc/58/96/99/1168589699.db2.gz UTHCCXGPHROTAX-YOEHRIQHSA-N 0 3 310.401 2.046 20 30 DEEDHN C[C@@H](CNC(=O)c1ccncc1)NCc1ccc(C#N)c(F)c1 ZINC001419694891 1168806520 /nfs/dbraw/zinc/80/65/20/1168806520.db2.gz AJMLYADRFIJOKE-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001419723466 1168820862 /nfs/dbraw/zinc/82/08/62/1168820862.db2.gz UZZZKVZRBNOCEA-MNOVXSKESA-N 0 3 309.797 2.103 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1ccc(C#N)cc1F ZINC001419866028 1168881389 /nfs/dbraw/zinc/88/13/89/1168881389.db2.gz PHDPREWNFDATOP-LRDDRELGSA-N 0 3 316.380 2.087 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)C2CCC2)C2CC2)c(F)c1 ZINC001420717674 1171082008 /nfs/dbraw/zinc/08/20/08/1171082008.db2.gz SALWXKIVXRATFR-KRWDZBQOSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1ccccc1Cl)C1CC1 ZINC001420719097 1171082874 /nfs/dbraw/zinc/08/28/74/1171082874.db2.gz QMSMXGLRPPRNDF-NHYWBVRUSA-N 0 3 305.809 2.484 20 30 DEEDHN CC(C)CC(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001420903552 1171334608 /nfs/dbraw/zinc/33/46/08/1171334608.db2.gz DLOZCWAWVJMJEI-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421184044 1171562680 /nfs/dbraw/zinc/56/26/80/1171562680.db2.gz NQOSEZRHOTWTFI-KUHUBIRLSA-N 0 3 311.429 2.416 20 30 DEEDHN CN1CCN(C[C@H](O)c2cccc(C#N)c2)C[C@H]1C(C)(C)C ZINC001422004635 1172223685 /nfs/dbraw/zinc/22/36/85/1172223685.db2.gz LYQCZBLLTFRJAX-IRXDYDNUSA-N 0 3 301.434 2.254 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001422121092 1172319184 /nfs/dbraw/zinc/31/91/84/1172319184.db2.gz MGKLWNCXGLTRPR-KGLIPLIRSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)COC(C)C)C[C@H]2C1 ZINC001422864754 1172889185 /nfs/dbraw/zinc/88/91/85/1172889185.db2.gz BAEHUILEICFJHZ-KKUMJFAQSA-N 0 3 314.857 2.381 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2noc3c2CCCC3)C1 ZINC001422911724 1172922492 /nfs/dbraw/zinc/92/24/92/1172922492.db2.gz WROJHPDLBCVECY-HAQNSBGRSA-N 0 3 323.824 2.404 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(COC)o2)C1 ZINC001424726822 1173889411 /nfs/dbraw/zinc/88/94/11/1173889411.db2.gz GDVWSCGQODZPOH-UHFFFAOYSA-N 0 3 312.797 2.277 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CCCCO1)N(C)Cc1cccc(C#N)c1 ZINC001424931251 1174039024 /nfs/dbraw/zinc/03/90/24/1174039024.db2.gz NWNPNQSHQVLLDP-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN CCCc1nc(C)c(CNC[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001425396247 1174306737 /nfs/dbraw/zinc/30/67/37/1174306737.db2.gz VFURNSKGFUJSIU-MRVWCRGKSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001425409664 1174308997 /nfs/dbraw/zinc/30/89/97/1174308997.db2.gz YJSHVRJJRNDJKY-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCCc2c1cnn2C ZINC001434462464 1178599595 /nfs/dbraw/zinc/59/95/95/1178599595.db2.gz CTDAEOFNXXYICG-SJLPKXTDSA-N 0 3 310.401 2.335 20 30 DEEDHN N#CC1(c2ccc(CN3CC[C@H]4COC(=O)N[C@@H]4C3)cc2)CC1 ZINC001434532546 1178794220 /nfs/dbraw/zinc/79/42/20/1178794220.db2.gz MEOCMIHBLSGTMJ-GOEBONIOSA-N 0 3 311.385 2.172 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001436885311 1179288565 /nfs/dbraw/zinc/28/85/65/1179288565.db2.gz FOUVCPOAYIHHLW-CQDKDKBSSA-N 0 3 303.381 2.480 20 30 DEEDHN Cc1ncsc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001437113542 1179425481 /nfs/dbraw/zinc/42/54/81/1179425481.db2.gz XVQLUYOIBZWSAV-VIFPVBQESA-N 0 3 320.443 2.293 20 30 DEEDHN C[C@H](CNC(=O)C1(C2CC2)CC1)NCc1ccc(C#N)s1 ZINC001437155067 1179493793 /nfs/dbraw/zinc/49/37/93/1179493793.db2.gz WRNQGFMRJYXDMW-LLVKDONJSA-N 0 3 303.431 2.404 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2ncccc2c1 ZINC001437659566 1179880959 /nfs/dbraw/zinc/88/09/59/1179880959.db2.gz NJMPXIWCSYDQEV-WMLDXEAASA-N 0 3 322.412 2.475 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1CC1(F)F)NCc1ccc(C#N)s1 ZINC001438305906 1180336522 /nfs/dbraw/zinc/33/65/22/1180336522.db2.gz XQZWTAPBBPJMIK-JOYOIKCWSA-N 0 3 313.373 2.259 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCc1ncccn1)C1CC1 ZINC001438423945 1180409444 /nfs/dbraw/zinc/40/94/44/1180409444.db2.gz BRRKGAOTXIMWPD-INIZCTEOSA-N 0 3 322.840 2.036 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@H]2CCOC2)CCCC1 ZINC001438606692 1180655744 /nfs/dbraw/zinc/65/57/44/1180655744.db2.gz MRUABFVRZXWBOH-CYBMUJFWSA-N 0 3 300.830 2.184 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@H]1CCOC1 ZINC001439105873 1180885670 /nfs/dbraw/zinc/88/56/70/1180885670.db2.gz QPMIXCHNGZCKSR-OLZOCXBDSA-N 0 3 321.446 2.031 20 30 DEEDHN CC(C)Oc1cccc(CNC2(CNC(=O)[C@@H](C)C#N)CC2)c1 ZINC001439598792 1181164067 /nfs/dbraw/zinc/16/40/67/1181164067.db2.gz RDJMIZBKAGDYIH-AWEZNQCLSA-N 0 3 315.417 2.372 20 30 DEEDHN CO[C@H](C)CC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001439769575 1181228563 /nfs/dbraw/zinc/22/85/63/1181228563.db2.gz VLOFNLSUFTXHLX-OLZOCXBDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001440272477 1181418792 /nfs/dbraw/zinc/41/87/92/1181418792.db2.gz OLSSXQUDSWLOPR-HZSPNIEDSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001440927282 1181778335 /nfs/dbraw/zinc/77/83/35/1181778335.db2.gz FCUXXPOBXQKCKB-KBPBESRZSA-N 0 3 301.862 2.050 20 30 DEEDHN Cc1nocc1CNCC1(NC(=O)[C@H](C)C#N)CCCCC1 ZINC001441110446 1181851178 /nfs/dbraw/zinc/85/11/78/1181851178.db2.gz SWCPQRFAOKXDCL-GFCCVEGCSA-N 0 3 304.394 2.051 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001441346794 1181950887 /nfs/dbraw/zinc/95/08/87/1181950887.db2.gz DCTIIGXGGJZCKB-MRVWCRGKSA-N 0 3 318.421 2.251 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001441347780 1181951784 /nfs/dbraw/zinc/95/17/84/1181951784.db2.gz LWMBCBQOINXTCU-AULYBMBSSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001441376738 1181963229 /nfs/dbraw/zinc/96/32/29/1181963229.db2.gz DRTCIEQSMAGACS-KYZUINATSA-N 0 3 304.177 2.179 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cc[nH]c1)NCc1ccc(F)c(C#N)c1 ZINC001441537387 1182047069 /nfs/dbraw/zinc/04/70/69/1182047069.db2.gz RLSBQVFXLVXTOB-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN CC(C)OCCN(C)CCN(C(=O)c1cc(C#N)c[nH]1)C(C)C ZINC001442100230 1182319859 /nfs/dbraw/zinc/31/98/59/1182319859.db2.gz JKVOFURUYHOLLK-UHFFFAOYSA-N 0 3 320.437 2.094 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C1CC(NCc2cnc(Cl)s2)C1 ZINC001442232228 1182381449 /nfs/dbraw/zinc/38/14/49/1182381449.db2.gz NEIQNNOTECVUCD-IDKOKCKLSA-N 0 3 312.826 2.035 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001442251381 1182390726 /nfs/dbraw/zinc/39/07/26/1182390726.db2.gz DRIZXSIIUFMGOG-VXGBXAGGSA-N 0 3 310.829 2.067 20 30 DEEDHN CCN(CCNC(=O)C[C@@H]1CCCO1)Cc1cccc(C#N)c1 ZINC001442638378 1182595026 /nfs/dbraw/zinc/59/50/26/1182595026.db2.gz OFNCNOLSROPLKL-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnn(C)c2C)CCCC1 ZINC001444476328 1183403113 /nfs/dbraw/zinc/40/31/13/1183403113.db2.gz FNSPSXHQYHYHNS-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)[C@@H](F)C(C)C ZINC001445590517 1183921905 /nfs/dbraw/zinc/92/19/05/1183921905.db2.gz NFIWHUNMTCHWDW-LRDDRELGSA-N 0 3 321.396 2.155 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)Cc1cccnc1 ZINC001445697941 1183994610 /nfs/dbraw/zinc/99/46/10/1183994610.db2.gz ZNIFHWFCMGSFNS-HNNXBMFYSA-N 0 3 322.412 2.132 20 30 DEEDHN CC(C)(F)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001445911196 1184123827 /nfs/dbraw/zinc/12/38/27/1184123827.db2.gz CBPHUSQHOCUVEH-CYBMUJFWSA-N 0 3 309.410 2.352 20 30 DEEDHN CN(C/C=C\Cl)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001448527663 1185275204 /nfs/dbraw/zinc/27/52/04/1185275204.db2.gz HNYOFBMYHQYUHI-DJWKRKHSSA-N 0 3 306.797 2.175 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001448872755 1185444434 /nfs/dbraw/zinc/44/44/34/1185444434.db2.gz LSWASPRJRMEKLM-UHFFFAOYSA-N 0 3 317.433 2.246 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2nc(C)n(C)c2c1 ZINC001448885441 1185446708 /nfs/dbraw/zinc/44/67/08/1185446708.db2.gz XIDQKNPIMDWKSV-UHFFFAOYSA-N 0 3 314.433 2.462 20 30 DEEDHN N#CCc1ccnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164733939 720413359 /nfs/dbraw/zinc/41/33/59/720413359.db2.gz QXNCCOGUPAXGDN-MSOLQXFVSA-N 0 3 319.412 2.396 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)c2csc(C)c2C)C1 ZINC001331989077 1149803812 /nfs/dbraw/zinc/80/38/12/1149803812.db2.gz CKAVAQJRPIANFV-DOMZBBRYSA-N 0 3 320.458 2.207 20 30 DEEDHN CN(C[C@H]1CCCCO1)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089174569 782239734 /nfs/dbraw/zinc/23/97/34/782239734.db2.gz FCRXMCNYXBAKCU-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001077516909 782336958 /nfs/dbraw/zinc/33/69/58/782336958.db2.gz ZPAAGNOWOIHGBS-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CCC)OC ZINC001099171536 782391219 /nfs/dbraw/zinc/39/12/19/782391219.db2.gz QYYXCGOKOPMUTI-HOTGVXAUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC001332413613 1149858015 /nfs/dbraw/zinc/85/80/15/1149858015.db2.gz POHQXBKLHICMPD-HOCLYGCPSA-N 0 3 318.465 2.349 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)C2CC3(CC3)C2)CC1 ZINC001333000062 1149949991 /nfs/dbraw/zinc/94/99/91/1149949991.db2.gz XEXYMCCOJSDKRP-HNNXBMFYSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2cnc(C)nc2)C1 ZINC001333074896 1149987291 /nfs/dbraw/zinc/98/72/91/1149987291.db2.gz ABEUNPFIOLUXDE-UHFFFAOYSA-N 0 3 302.422 2.220 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106557983 782779612 /nfs/dbraw/zinc/77/96/12/782779612.db2.gz NWZLMGWREWMGTK-ARFHVFGLSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001333415961 1150047209 /nfs/dbraw/zinc/04/72/09/1150047209.db2.gz DYQSSBKYQWAEEK-RDJZCZTQSA-N 0 3 306.450 2.374 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCCO2)CC(C)(C)C1 ZINC001089356352 782978083 /nfs/dbraw/zinc/97/80/83/782978083.db2.gz WHIPVMXJKRKIFO-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC001083745980 783015813 /nfs/dbraw/zinc/01/58/13/783015813.db2.gz IRJVCQRLGOEGEH-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3nccn31)C2 ZINC001095751959 783075820 /nfs/dbraw/zinc/07/58/20/783075820.db2.gz ORUVLNKCIDSKFH-ILXRZTDVSA-N 0 3 310.401 2.246 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC(C)(C)C1 ZINC001089440320 783109109 /nfs/dbraw/zinc/10/91/09/783109109.db2.gz NNDWYEDAIMHVSV-LUKYLMHMSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2-c2ccccc2)C[C@H]1C ZINC000947445521 783139009 /nfs/dbraw/zinc/13/90/09/783139009.db2.gz LWJJUFJOLXEDJN-CVEARBPZSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nnc2CC)C[C@H]1C ZINC000947464235 783143082 /nfs/dbraw/zinc/14/30/82/783143082.db2.gz TWDVPBYAWVUWJN-KGLIPLIRSA-N 0 3 302.422 2.116 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(COC)o2)C[C@@H]1C ZINC000947526897 783161750 /nfs/dbraw/zinc/16/17/50/783161750.db2.gz AVKLYLCRQVGEAN-KBPBESRZSA-N 0 3 304.390 2.032 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)C[C@@H]1C ZINC000947575438 783179749 /nfs/dbraw/zinc/17/97/49/783179749.db2.gz ASFRIYXWWGYFCC-KBPBESRZSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3c[nH]nc32)C[C@@H]1C ZINC000947602083 783186711 /nfs/dbraw/zinc/18/67/11/783186711.db2.gz IQLTZEPFHOFPCQ-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c(F)cccc2F)C[C@@H]1C ZINC000947652961 783199043 /nfs/dbraw/zinc/19/90/43/783199043.db2.gz GMFXZRYMEFTLFE-QWHCGFSZSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C)c2CC)C[C@@H]1C ZINC000947723461 783214566 /nfs/dbraw/zinc/21/45/66/783214566.db2.gz WEPGBBULXDPGJC-GJZGRUSLSA-N 0 3 301.434 2.194 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3cnccc3n2)C[C@H]1C ZINC000947750301 783222391 /nfs/dbraw/zinc/22/23/91/783222391.db2.gz NSSRUHRVRKVNHS-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246596 783228496 /nfs/dbraw/zinc/22/84/96/783228496.db2.gz WFRPTZRXONRZNG-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)cc2Cl)[C@@H](O)C1 ZINC001090582871 790373340 /nfs/dbraw/zinc/37/33/40/790373340.db2.gz HTLFELSVLHPUGQ-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=Cc1ccc(C(=O)N[C@@H]2CCN(CC(=C)C)C[C@H]2O)cc1 ZINC001090587078 790371989 /nfs/dbraw/zinc/37/19/89/790371989.db2.gz UXHBQVRBAYWPQT-IAGOWNOFSA-N 0 3 300.402 2.071 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(F)cc(OC)cc3F)C2)C1 ZINC001073006023 790372620 /nfs/dbraw/zinc/37/26/20/790372620.db2.gz PDBGLSJGHXNRQC-UHFFFAOYSA-N 0 3 322.355 2.307 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccsc2Cl)[C@@H](O)C1 ZINC001090622853 790404411 /nfs/dbraw/zinc/40/44/11/790404411.db2.gz DPECKCLSGYQJRJ-NEPJUHHUSA-N 0 3 314.838 2.143 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)[C@@H](O)C1 ZINC001090634871 790410061 /nfs/dbraw/zinc/41/00/61/790410061.db2.gz YIGAHNLWGOBVOH-SJORKVTESA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)cc4cn[nH]c43)C2)C1 ZINC001073056035 790422465 /nfs/dbraw/zinc/42/24/65/790422465.db2.gz MKMSEMRXPJDRIQ-UHFFFAOYSA-N 0 3 310.401 2.205 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(-c4c[nH]cn4)cc3)C2)C1 ZINC001073101244 790454401 /nfs/dbraw/zinc/45/44/01/790454401.db2.gz BJNQWZOPWHJJMP-UHFFFAOYSA-N 0 3 322.412 2.411 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4cnccc4c3)C2)C1 ZINC001073105936 790458493 /nfs/dbraw/zinc/45/84/93/790458493.db2.gz GRVBWJIPHDSUGZ-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001167087560 776641021 /nfs/dbraw/zinc/64/10/21/776641021.db2.gz FFCBFDOEDMJXEG-GXTWGEPZSA-N 0 3 314.857 2.288 20 30 DEEDHN CC[C@@H](F)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209016982 776644361 /nfs/dbraw/zinc/64/43/61/776644361.db2.gz JEJGMSGAGBKOPY-DLBZAZTESA-N 0 3 302.393 2.367 20 30 DEEDHN C=CCN(CCN1CCC(n2nccc2C)CC1)C(=O)OCC ZINC001209024617 776648631 /nfs/dbraw/zinc/64/86/31/776648631.db2.gz VGLDXQNIBPDLHI-UHFFFAOYSA-N 0 3 320.437 2.473 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3Cc4c(cccc4C)O3)C2)C1 ZINC001073129189 790475321 /nfs/dbraw/zinc/47/53/21/790475321.db2.gz LGEXNWBRSULAJU-KRWDZBQOSA-N 0 3 312.413 2.019 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccco3)C2)C1 ZINC001073131066 790476725 /nfs/dbraw/zinc/47/67/25/790476725.db2.gz GLEWSAYDDGSTEJ-OAHLLOKOSA-N 0 3 300.402 2.331 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@H]2CC23CCC3)c1 ZINC001167384310 776977640 /nfs/dbraw/zinc/97/76/40/776977640.db2.gz BEBBFTFAPFRHFQ-OAHLLOKOSA-N 0 3 315.392 2.483 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1c1ccccc1 ZINC001211577805 777473154 /nfs/dbraw/zinc/47/31/54/777473154.db2.gz BSEOSIVBWSCPIL-RYQLBKOJSA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100623508 777485638 /nfs/dbraw/zinc/48/56/38/777485638.db2.gz ROJTXZHADNHVHZ-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001167670262 777499845 /nfs/dbraw/zinc/49/98/45/777499845.db2.gz ZNIFUIQMMMNTEU-BBRMVZONSA-N 0 3 312.841 2.042 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC1CCC1)C[C@H](C)O2 ZINC001098580670 777592154 /nfs/dbraw/zinc/59/21/54/777592154.db2.gz QSQHMUOKWDOAOM-HNNXBMFYSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC1CCC1)C[C@@H](C)O2 ZINC001098580671 777592988 /nfs/dbraw/zinc/59/29/88/777592988.db2.gz QSQHMUOKWDOAOM-OAHLLOKOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1C ZINC001104520351 777645024 /nfs/dbraw/zinc/64/50/24/777645024.db2.gz GNULZDCUZCIPSG-TZMCWYRMSA-N 0 3 324.856 2.169 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(C)n1C ZINC001087270708 777676999 /nfs/dbraw/zinc/67/69/99/777676999.db2.gz FJQBBIPBOLKBIN-HYVNUMGLSA-N 0 3 313.445 2.186 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cncc(F)c3)C(C)(C)[C@@H]21 ZINC001087281782 777713441 /nfs/dbraw/zinc/71/34/41/777713441.db2.gz MITPQDPMWJRBTR-BZUAXINKSA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccc(C)o3)C(C)(C)[C@H]21 ZINC001087282029 777715143 /nfs/dbraw/zinc/71/51/43/777715143.db2.gz QGEOPTTWERCAOD-NXHRZFHOSA-N 0 3 314.429 2.369 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3c(C)ccn3C)C(C)(C)[C@H]21 ZINC001087283738 777719478 /nfs/dbraw/zinc/71/94/78/777719478.db2.gz 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ZINC001090863825 790621140 /nfs/dbraw/zinc/62/11/40/790621140.db2.gz XYYPEPGVSWNJHN-JCGIZDLHSA-N 0 3 314.429 2.259 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](n2cc(CNCCC(C)C)nn2)C1 ZINC001098634410 778674492 /nfs/dbraw/zinc/67/44/92/778674492.db2.gz RRUYWDQKERWBGN-INIZCTEOSA-N 0 3 319.453 2.153 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC001073412577 790643894 /nfs/dbraw/zinc/64/38/94/790643894.db2.gz XJMGFUZKNYTFNK-UHFFFAOYSA-N 0 3 307.397 2.339 20 30 DEEDHN CCOC(=O)C(F)(F)CNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167852792 778719493 /nfs/dbraw/zinc/71/94/93/778719493.db2.gz ZXBPDTUDRSEWRP-KEBDBYFISA-N 0 3 324.331 2.390 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccoc2Cl)cc1 ZINC001126360210 778825540 /nfs/dbraw/zinc/82/55/40/778825540.db2.gz KEZVQXDMLDAXIY-UHFFFAOYSA-N 0 3 303.749 2.324 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001126379035 778887769 /nfs/dbraw/zinc/88/77/69/778887769.db2.gz WCCLRADNDMMSAA-BDJLRTHQSA-N 0 3 312.360 2.059 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)n3c(C)ccc3C)C2)C1 ZINC001073457618 790667478 /nfs/dbraw/zinc/66/74/78/790667478.db2.gz YHWYPPIXMMDKNF-QGZVFWFLSA-N 0 3 313.445 2.224 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C2CCC2)[C@H]1CC ZINC001087629928 779386153 /nfs/dbraw/zinc/38/61/53/779386153.db2.gz MQOXENPOIKJVLC-JKSUJKDBSA-N 0 3 316.449 2.456 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)[C@H]1CC ZINC001087655184 779397392 /nfs/dbraw/zinc/39/73/92/779397392.db2.gz NSVAXPVLKJUYKS-ZWKOTPCHSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)[C@H]1CC ZINC001087841415 779479812 /nfs/dbraw/zinc/47/98/12/779479812.db2.gz VVHNTCVEZXHIHY-GXTWGEPZSA-N 0 3 315.373 2.302 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3occc3C(C)C)C[C@@H]2C1 ZINC001088079301 779683103 /nfs/dbraw/zinc/68/31/03/779683103.db2.gz WWDXTMAZFJDQBB-CABCVRRESA-N 0 3 300.402 2.430 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)C[C@@H]2C1 ZINC001088116358 779711225 /nfs/dbraw/zinc/71/12/25/779711225.db2.gz UXMULTSURITZET-CABCVRRESA-N 0 3 307.397 2.195 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)CCC)CC2)C1 ZINC001088227260 779783588 /nfs/dbraw/zinc/78/35/88/779783588.db2.gz KBFRMQJRFBCIOX-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001088236034 779792733 /nfs/dbraw/zinc/79/27/33/779792733.db2.gz JMWIQGQKBAIRJL-HZPDHXFCSA-N 0 3 312.429 2.250 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001088273139 779893213 /nfs/dbraw/zinc/89/32/13/779893213.db2.gz YLNRYAFYKGCGCR-CYBMUJFWSA-N 0 3 310.829 2.445 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001088273139 779893221 /nfs/dbraw/zinc/89/32/21/779893221.db2.gz YLNRYAFYKGCGCR-CYBMUJFWSA-N 0 3 310.829 2.445 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C4CC4)n(C)n3)[C@@H]2C1 ZINC001075859005 779895054 /nfs/dbraw/zinc/89/50/54/779895054.db2.gz OQGVFCCGKZRUFH-WMLDXEAASA-N 0 3 314.433 2.020 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2c(C)ncn2C)C1 ZINC001088331084 779976976 /nfs/dbraw/zinc/97/69/76/779976976.db2.gz PMXDSFGUBNZMDG-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4c3COCC4)[C@@H]2C1 ZINC001075874366 780012544 /nfs/dbraw/zinc/01/25/44/780012544.db2.gz KZGHCBIJTTVHRH-MAUKXSAKSA-N 0 3 312.413 2.092 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2n[nH]cc2F)C1 ZINC001088376694 780040908 /nfs/dbraw/zinc/04/09/08/780040908.db2.gz NMIKPHPOZKJDOK-NSHDSACASA-N 0 3 314.792 2.276 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2scnc2C)[C@H](OC)C1 ZINC001211906367 780128901 /nfs/dbraw/zinc/12/89/01/780128901.db2.gz STPRNEVEBDCRML-MRVWCRGKSA-N 0 3 323.462 2.235 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001059746467 780308959 /nfs/dbraw/zinc/30/89/59/780308959.db2.gz XGNJDOKOEBKAPQ-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)nc1 ZINC001144158812 790782058 /nfs/dbraw/zinc/78/20/58/790782058.db2.gz QNFXAAFCLTWJMB-LJQANCHMSA-N 0 3 324.428 2.178 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001073698264 790799941 /nfs/dbraw/zinc/79/99/41/790799941.db2.gz YCOOPBGAYAKZEP-KRWDZBQOSA-N 0 3 317.433 2.041 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ncoc2CC)[C@H](OC)C1 ZINC001212064225 780602571 /nfs/dbraw/zinc/60/25/71/780602571.db2.gz QNKIGCYIQXSXKJ-UMVBOHGHSA-N 0 3 321.421 2.021 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)[C@H]1C ZINC001088608219 780608917 /nfs/dbraw/zinc/60/89/17/780608917.db2.gz ODYQOMYAHFJWRV-XWIAVFTESA-N 0 3 314.429 2.490 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cncc(F)c2)[C@H](OC)C1 ZINC001212100245 780637404 /nfs/dbraw/zinc/63/74/04/780637404.db2.gz HOTBECKUPMIWOC-DAXOMENPSA-N 0 3 321.396 2.004 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2COC)[C@H]1C ZINC001088700041 780856767 /nfs/dbraw/zinc/85/67/67/780856767.db2.gz SLAPDZQKRLKDAO-PBHICJAKSA-N 0 3 300.402 2.049 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001060037403 780912721 /nfs/dbraw/zinc/91/27/21/780912721.db2.gz GDZVXCGWJHRYIB-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@@H](O)C1 ZINC001083474285 780963988 /nfs/dbraw/zinc/96/39/88/780963988.db2.gz YDRORYUMDATCPN-JJXSEGSLSA-N 0 3 308.466 2.186 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc4cnccc4c3)[C@@H]2C1 ZINC001076048215 781095492 /nfs/dbraw/zinc/09/54/92/781095492.db2.gz ZDAGMTUVUOZJQM-MAUKXSAKSA-N 0 3 322.412 2.352 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3ccc(CC)cn3)[C@@H]2C1 ZINC001076265710 781189201 /nfs/dbraw/zinc/18/92/01/781189201.db2.gz MMHJZGGJWIBAHJ-FUHWJXTLSA-N 0 3 313.445 2.295 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(CCC)c3)[C@@H]2C1 ZINC001076306899 781210149 /nfs/dbraw/zinc/21/01/49/781210149.db2.gz LXTRKPATTIJHBC-GOEBONIOSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1c[nH]cc1C)C[C@H](C)O2 ZINC001098663030 781222291 /nfs/dbraw/zinc/22/22/91/781222291.db2.gz UJRJBWYEMKUVPQ-HNNXBMFYSA-N 0 3 317.433 2.205 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4ccn(C)c4c3)[C@@H]2C1 ZINC001076428460 781261867 /nfs/dbraw/zinc/26/18/67/781261867.db2.gz VLUSBRUFAJKYKB-PKOBYXMFSA-N 0 3 321.424 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)[C@@H]2C1 ZINC001076544740 781308257 /nfs/dbraw/zinc/30/82/57/781308257.db2.gz CALDQHFFWKLKNL-MAUKXSAKSA-N 0 3 322.412 2.352 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001073794438 790877884 /nfs/dbraw/zinc/87/78/84/790877884.db2.gz INOSUBPCAVMBEF-OAHLLOKOSA-N 0 3 305.422 2.028 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001077048804 781463334 /nfs/dbraw/zinc/46/33/34/781463334.db2.gz JSZZMUQIKXUQHW-GVDBMIGSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cncc(Cl)c2)C1 ZINC001073816200 790897247 /nfs/dbraw/zinc/89/72/47/790897247.db2.gz XAROCLSTSINTPM-OAHLLOKOSA-N 0 3 323.824 2.132 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CC2=CCCCC2)C[C@H]1OC ZINC001212145918 781744596 /nfs/dbraw/zinc/74/45/96/781744596.db2.gz DQVWGVNBIPIBRD-QZTJIDSGSA-N 0 3 318.461 2.496 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@H](C)COC)C1 ZINC001112110636 781847857 /nfs/dbraw/zinc/84/78/57/781847857.db2.gz ZCNVRRLDIKJWNE-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H]1c2ccccc2CNC1=O ZINC001171189156 790919887 /nfs/dbraw/zinc/91/98/87/790919887.db2.gz BVARNWGNUHKCII-FZKQIMNGSA-N 0 3 305.381 2.450 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)C[C@@H]1C ZINC000947797048 783233723 /nfs/dbraw/zinc/23/37/23/783233723.db2.gz WUSSHTAIPLUHKZ-GUYCJALGSA-N 0 3 300.402 2.486 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(C)c2)C[C@@H]1C ZINC000947802030 783235991 /nfs/dbraw/zinc/23/59/91/783235991.db2.gz SLIYLANBAHNKGZ-GOEBONIOSA-N 0 3 300.402 2.220 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C[C@@H]1C ZINC000947899476 783264262 /nfs/dbraw/zinc/26/42/62/783264262.db2.gz JWZRONFYFUBPKU-UONOGXRCSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC000948077680 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C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC000966165981 783586827 /nfs/dbraw/zinc/58/68/27/783586827.db2.gz HVIRNJRUWNBUJN-GDBMZVCRSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cn(C)nc1C ZINC001085227879 783593053 /nfs/dbraw/zinc/59/30/53/783593053.db2.gz UJQWDTOLCGJEBC-HUUCEWRRSA-N 0 3 324.856 2.041 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C)nn1C ZINC001085272583 783614699 /nfs/dbraw/zinc/61/46/99/783614699.db2.gz NAIALYYIVUDWHI-HUUCEWRRSA-N 0 3 324.856 2.041 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC000966461059 783666042 /nfs/dbraw/zinc/66/60/42/783666042.db2.gz WVJAZDFQJHMYGG-BXUZGUMPSA-N 0 3 324.375 2.050 20 30 DEEDHN CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001085389345 783666745 /nfs/dbraw/zinc/66/67/45/783666745.db2.gz FCHNQHKWVHYWPW-BRWVUGGUSA-N 0 3 320.481 2.182 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=C)Cl)nc1 ZINC001085398692 783669077 /nfs/dbraw/zinc/66/90/77/783669077.db2.gz 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318.808 2.185 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC=C(C)C)CC[C@H]2C)cn1 ZINC000968561391 784465583 /nfs/dbraw/zinc/46/55/83/784465583.db2.gz KZLAAVGNPOBZGC-QAPCUYQASA-N 0 3 311.429 2.469 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC=C(C)C)CC[C@@H]2C)cn1 ZINC000968561392 784466138 /nfs/dbraw/zinc/46/61/38/784466138.db2.gz KZLAAVGNPOBZGC-YJBOKZPZSA-N 0 3 311.429 2.469 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001086251638 784522593 /nfs/dbraw/zinc/52/25/93/784522593.db2.gz BHROMYAEVPHLNY-XBXGTLAGSA-N 0 3 310.829 2.315 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1nccc(C)n1 ZINC000968837783 784614691 /nfs/dbraw/zinc/61/46/91/784614691.db2.gz QUKSYFPIQQRWEC-HNNXBMFYSA-N 0 3 302.422 2.336 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC000968857153 784621422 /nfs/dbraw/zinc/62/14/22/784621422.db2.gz URXDMYLHMIGJMQ-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccnn1C(F)F ZINC000968874665 784630603 /nfs/dbraw/zinc/63/06/03/784630603.db2.gz 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C#Cc1cncc(C(=O)N[C@H]2CCCN(CC[C@H](C)F)C2)c1 ZINC001008470161 785213264 /nfs/dbraw/zinc/21/32/64/785213264.db2.gz UCWRBVOBOBUJKU-BBRMVZONSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008656446 785263373 /nfs/dbraw/zinc/26/33/73/785263373.db2.gz DHMZNOHHIZBXTH-RTBURBONSA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCN(CCC)C1 ZINC001009123774 785388676 /nfs/dbraw/zinc/38/86/76/785388676.db2.gz MSCTYZJYVFLDHI-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCCN(CCCF)C1 ZINC001009351410 785434634 /nfs/dbraw/zinc/43/46/34/785434634.db2.gz IUBYNGWAXCVCLV-KRWDZBQOSA-N 0 3 302.393 2.151 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001009491837 785463526 /nfs/dbraw/zinc/46/35/26/785463526.db2.gz CPBISEOQIVTRIW-CQSZACIVSA-N 0 3 304.438 2.314 20 30 DEEDHN N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001108947140 785645822 /nfs/dbraw/zinc/64/58/22/785645822.db2.gz GGWTVPPPFLQAFY-PMPSAXMXSA-N 0 3 319.474 2.465 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001109087809 785691012 /nfs/dbraw/zinc/69/10/12/785691012.db2.gz CGPKFFJBQKHLPG-NEBZKDRISA-N 0 3 303.431 2.172 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1cnoc1C1CC1 ZINC001169987971 785759208 /nfs/dbraw/zinc/75/92/08/785759208.db2.gz QMOBPAXOFRTCRP-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1CC)C2 ZINC001109307288 785797645 /nfs/dbraw/zinc/79/76/45/785797645.db2.gz DGAWZAMCEFVWOV-WCVJEAGWSA-N 0 3 316.449 2.304 20 30 DEEDHN CCc1ccccc1CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010455680 785810495 /nfs/dbraw/zinc/81/04/95/785810495.db2.gz ABSGPVVKRMIORY-KRWDZBQOSA-N 0 3 322.412 2.453 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001109624815 785962695 /nfs/dbraw/zinc/96/26/95/785962695.db2.gz DILUQYPNIBKUAE-IKGGRYGDSA-N 0 3 306.450 2.327 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001109624881 785962890 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C#CCCN1CC[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001015011409 786856485 /nfs/dbraw/zinc/85/64/85/786856485.db2.gz WATCMTWIXPMCTI-ROUUACIJSA-N 0 3 312.413 2.018 20 30 DEEDHN CC[C@@H]1C[C@@H](N2CCN(c3cc(C#N)ccn3)CC2)CCO1 ZINC001170227074 786872327 /nfs/dbraw/zinc/87/23/27/786872327.db2.gz MCKLJVROWQZXOS-JKSUJKDBSA-N 0 3 300.406 2.033 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001015095371 786894923 /nfs/dbraw/zinc/89/49/23/786894923.db2.gz ZYWSPTXZBABDHR-LLVKDONJSA-N 0 3 308.813 2.321 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001015110708 786900858 /nfs/dbraw/zinc/90/08/58/786900858.db2.gz DDMDEWAOEZSAEE-AWEZNQCLSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C#CC(C)(C)C ZINC001157719095 786922381 /nfs/dbraw/zinc/92/23/81/786922381.db2.gz RMSRAWZDHPEMGM-UHFFFAOYSA-N 0 3 301.228 2.040 20 30 DEEDHN CCOC(=O)C(C#N)Nc1cc(C(=O)OC)c(C)c2[nH]ccc21 ZINC001170377256 786938226 /nfs/dbraw/zinc/93/82/26/786938226.db2.gz IMNUGEHKHHDOIV-CYBMUJFWSA-N 0 3 315.329 2.130 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001015290886 786982251 /nfs/dbraw/zinc/98/22/51/786982251.db2.gz QAKBJXIATNBNHK-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnnc2)C1 ZINC001086611716 787036974 /nfs/dbraw/zinc/03/69/74/787036974.db2.gz JKWNNTFDCSCMRR-ZWKOTPCHSA-N 0 3 322.412 2.251 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCOc3ccccc3C)C[C@H]21 ZINC001114024965 787056727 /nfs/dbraw/zinc/05/67/27/787056727.db2.gz GXVPGVNYOVKFCY-MNZLEMJZSA-N 0 3 314.429 2.386 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001015507665 787085927 /nfs/dbraw/zinc/08/59/27/787085927.db2.gz DJOFFBHQRSRCST-HOTGVXAUSA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001015507328 787086828 /nfs/dbraw/zinc/08/68/28/787086828.db2.gz BNLRPCFPCAKUNP-ZDUSSCGKSA-N 0 3 313.426 2.432 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114161562 787134155 /nfs/dbraw/zinc/13/41/55/787134155.db2.gz JILAUUFJSZYGAP-QLPKVWCKSA-N 0 3 302.443 2.488 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001015625641 787145847 /nfs/dbraw/zinc/14/58/47/787145847.db2.gz PHNLOWIRETVQSO-KRWDZBQOSA-N 0 3 311.429 2.107 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1ccc(C)nc1C ZINC001129514133 787223086 /nfs/dbraw/zinc/22/30/86/787223086.db2.gz MQQLPCQHPCONBS-UHFFFAOYSA-N 0 3 312.417 2.206 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)c1ccncc1 ZINC001130195348 787312410 /nfs/dbraw/zinc/31/24/10/787312410.db2.gz QAUVKHSYWJPUEN-HNNXBMFYSA-N 0 3 322.412 2.353 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1C)C2 ZINC001095953012 787421695 /nfs/dbraw/zinc/42/16/95/787421695.db2.gz IFDLSEVNJMOPJN-JLSDUUJJSA-N 0 3 312.413 2.362 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001090490066 787454860 /nfs/dbraw/zinc/45/48/60/787454860.db2.gz QRAQYIGGNYFZEZ-KBPBESRZSA-N 0 3 322.474 2.153 20 30 DEEDHN CCCCCCC[NH2+]CCNC(=O)CCc1c(C)nc[n-]c1=O ZINC001130768928 787472104 /nfs/dbraw/zinc/47/21/04/787472104.db2.gz KUACXGHAXLWSQE-UHFFFAOYSA-N 0 3 322.453 2.099 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)[nH]c1=O)C2 ZINC001096068972 787487733 /nfs/dbraw/zinc/48/77/33/787487733.db2.gz DKJJQCSLAHXKBU-SNPRPXQTSA-N 0 3 301.390 2.007 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H](NC/C=C\Cl)C1 ZINC001130935751 787503783 /nfs/dbraw/zinc/50/37/83/787503783.db2.gz JUFHDKWJRBBFPF-KMVAXQJASA-N 0 3 322.840 2.023 20 30 DEEDHN COc1ccc(C)cc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001130981628 787517738 /nfs/dbraw/zinc/51/77/38/787517738.db2.gz SCADVPPOMPNPHP-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001096137874 787522067 /nfs/dbraw/zinc/52/20/67/787522067.db2.gz BZVDSQORJOSKQJ-XAJHFOFHSA-N 0 3 324.440 2.439 20 30 DEEDHN Cc1onc(C2CC2)c1C(=O)NCCNCc1cccc(C#N)c1 ZINC001131436409 787622538 /nfs/dbraw/zinc/62/25/38/787622538.db2.gz CFXONQCHZPWSPA-UHFFFAOYSA-N 0 3 324.384 2.252 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@]23C[C@H]2CCC3)ccc1F ZINC001131551066 787649089 /nfs/dbraw/zinc/64/90/89/787649089.db2.gz GECHPKWMRJNXOC-RHSMWYFYSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCSC)C[C@@H](C)O2 ZINC001131624306 787665076 /nfs/dbraw/zinc/66/50/76/787665076.db2.gz IMCCIEGZRATNOU-GDBMZVCRSA-N 0 3 312.479 2.007 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccc(F)nc2)CC[C@H]1C ZINC001131907410 787794817 /nfs/dbraw/zinc/79/48/17/787794817.db2.gz AWZVOJAIGWVAMX-UKRRQHHQSA-N 0 3 321.396 2.006 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CC2(OC)CCC2)CC[C@@H]1C ZINC001132000033 787875115 /nfs/dbraw/zinc/87/51/15/787875115.db2.gz WEMLSCZBKOVNSG-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3c[nH]nc31)C2 ZINC001097075737 787966719 /nfs/dbraw/zinc/96/67/19/787966719.db2.gz CSUUPUKKDORFLN-FPCVCCKLSA-N 0 3 314.433 2.127 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2nc(C(C)C)no2)CC[C@@H]1C ZINC001132214999 787969557 /nfs/dbraw/zinc/96/95/57/787969557.db2.gz QCDPXQSHQYCCBZ-KBPBESRZSA-N 0 3 320.437 2.281 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C2 ZINC001097087665 787973023 /nfs/dbraw/zinc/97/30/23/787973023.db2.gz VAGYBNLSNJTQET-WCXIOVBPSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C2(CF)CCOCC2)CC[C@H]1C ZINC001132309690 788022760 /nfs/dbraw/zinc/02/27/60/788022760.db2.gz BGANVAQZPFNJOJ-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCC(=O)N(CC)CC)CC[C@@H]1C ZINC001132353421 788035522 /nfs/dbraw/zinc/03/55/22/788035522.db2.gz GDDJKAZYOCJXIL-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2nc(C3CC3)no2)CC[C@@H]1C ZINC001132340664 788037635 /nfs/dbraw/zinc/03/76/35/788037635.db2.gz WYKWSPAZWMGJHS-GXTWGEPZSA-N 0 3 318.421 2.035 20 30 DEEDHN C#CCCCCCC(=O)NCCNCc1ccc(C)nc1C ZINC001132398980 788056056 /nfs/dbraw/zinc/05/60/56/788056056.db2.gz XCHUFZVSMXDNDE-UHFFFAOYSA-N 0 3 301.434 2.488 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2nccn2CC)C1 ZINC001086682239 788068462 /nfs/dbraw/zinc/06/84/62/788068462.db2.gz FUNVPESCRPWGGU-QWHCGFSZSA-N 0 3 310.829 2.144 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccc(F)cc2)CC[C@@H]1C ZINC001132478627 788096322 /nfs/dbraw/zinc/09/63/22/788096322.db2.gz MFYRBXLBXLDLCB-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@H]1C ZINC001132499834 788100676 /nfs/dbraw/zinc/10/06/76/788100676.db2.gz KUVLUCXRGFXJRZ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC1(C)CC[C@@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132632245 788151487 /nfs/dbraw/zinc/15/14/87/788151487.db2.gz NNKHKEKTYRQUAG-CQSZACIVSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132667623 788159905 /nfs/dbraw/zinc/15/99/05/788159905.db2.gz PDEHXQCZGFEJTR-CQSZACIVSA-N 0 3 315.417 2.375 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2cc(OC)no2)C1 ZINC001132700655 788173422 /nfs/dbraw/zinc/17/34/22/788173422.db2.gz LCRGMCKQSMUCJZ-KGLIPLIRSA-N 0 3 321.421 2.224 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(C(F)F)CCC2)s1 ZINC001132801825 788194252 /nfs/dbraw/zinc/19/42/52/788194252.db2.gz IXVVRPZUGYYXPL-UHFFFAOYSA-N 0 3 313.373 2.261 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2Cc3ccc(F)cc32)c1 ZINC001132916863 788224384 /nfs/dbraw/zinc/22/43/84/788224384.db2.gz SLBXXPLODMIZMZ-SFHVURJKSA-N 0 3 323.371 2.243 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CC[C@@H](F)C2)ccc1F ZINC001132954457 788241951 /nfs/dbraw/zinc/24/19/51/788241951.db2.gz OOBMDMCWGPXKJE-TZMCWYRMSA-N 0 3 307.344 2.041 20 30 DEEDHN Cc1cc(CNCCCC[C@H](C)NC(=O)C#CC(C)C)nn1C ZINC001170649640 788276844 /nfs/dbraw/zinc/27/68/44/788276844.db2.gz UQBKJKAOHYVLQQ-HNNXBMFYSA-N 0 3 318.465 2.153 20 30 DEEDHN Cc1cc(CNCCCC[C@@H](C)NC(=O)C#CC(C)C)nn1C ZINC001170649641 788276907 /nfs/dbraw/zinc/27/69/07/788276907.db2.gz UQBKJKAOHYVLQQ-OAHLLOKOSA-N 0 3 318.465 2.153 20 30 DEEDHN C=CCCCC(=O)NCCN[C@H]1CCCN(CC(C)(C)C)C1=O ZINC001133142826 788294790 /nfs/dbraw/zinc/29/47/90/788294790.db2.gz JZTLQOHYYSMNDX-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001133154967 788297755 /nfs/dbraw/zinc/29/77/55/788297755.db2.gz ZJHSAZZJFYUUAF-UHFFFAOYSA-N 0 3 304.390 2.020 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4ccnn4)cc3)CCC2S1 ZINC001137362834 788324412 /nfs/dbraw/zinc/32/44/12/788324412.db2.gz ZIMMIQAEEFWCKE-OAHLLOKOSA-N 0 3 312.398 2.041 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4ccnn4)cc3)CC[C@H]2S1 ZINC001137362834 788324418 /nfs/dbraw/zinc/32/44/18/788324418.db2.gz ZIMMIQAEEFWCKE-OAHLLOKOSA-N 0 3 312.398 2.041 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CSC ZINC001133385831 788395352 /nfs/dbraw/zinc/39/53/52/788395352.db2.gz VTMSUJVUACWPAF-UHFFFAOYSA-N 0 3 310.850 2.254 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCCOC ZINC001133385772 788395594 /nfs/dbraw/zinc/39/55/94/788395594.db2.gz SFUXWGZERKFUDC-UHFFFAOYSA-N 0 3 322.836 2.318 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001133383718 788396387 /nfs/dbraw/zinc/39/63/87/788396387.db2.gz XCYPTZHSMRZZDC-SFHVURJKSA-N 0 3 323.481 2.086 20 30 DEEDHN CCc1ccoc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001133401301 788403617 /nfs/dbraw/zinc/40/36/17/788403617.db2.gz DGLOFIVCWHOQPA-UHFFFAOYSA-N 0 3 303.387 2.295 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100283824 788692704 /nfs/dbraw/zinc/69/27/04/788692704.db2.gz XEBFSFJJBWDRPP-UHFFFAOYSA-N 0 3 308.425 2.326 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1CC ZINC001134114630 788765348 /nfs/dbraw/zinc/76/53/48/788765348.db2.gz MLZXGSBBMBXOPG-CVEARBPZSA-N 0 3 318.465 2.470 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1)NCc1nccs1 ZINC001134160068 788780984 /nfs/dbraw/zinc/78/09/84/788780984.db2.gz GRZCPMGLLRBHTI-GHMZBOCLSA-N 0 3 317.418 2.030 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1snnc1C ZINC001134206166 788800250 /nfs/dbraw/zinc/80/02/50/788800250.db2.gz PSJMBBBFQNMAJA-NWDGAFQWSA-N 0 3 308.451 2.023 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001134318994 788864230 /nfs/dbraw/zinc/86/42/30/788864230.db2.gz WRZQIDYRFMIXLT-CVEARBPZSA-N 0 3 318.465 2.496 20 30 DEEDHN COc1cc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)on1 ZINC001134329217 788874943 /nfs/dbraw/zinc/87/49/43/788874943.db2.gz LLGKYZJRAQMVKX-QWHCGFSZSA-N 0 3 321.421 2.106 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)C[C@H](C)NCc1ncc(Cl)n1C ZINC001134345065 788887855 /nfs/dbraw/zinc/88/78/55/788887855.db2.gz PCEMXZCIIFAFJA-QWHCGFSZSA-N 0 3 324.856 2.106 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc3ccccn3c2)cc1 ZINC001134704955 789040787 /nfs/dbraw/zinc/04/07/87/789040787.db2.gz DBNOATSTLDKZJH-UHFFFAOYSA-N 0 3 318.380 2.331 20 30 DEEDHN C[C@@H]1CC[C@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001134738002 789056039 /nfs/dbraw/zinc/05/60/39/789056039.db2.gz DFSHUQVSRCJDST-OCCSQVGLSA-N 0 3 303.381 2.339 20 30 DEEDHN C[C@@H]1CC[C@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001134738088 789056091 /nfs/dbraw/zinc/05/60/91/789056091.db2.gz GHKIPSXRDHAIPK-OCCSQVGLSA-N 0 3 303.381 2.339 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(OC)no1 ZINC001135224303 789247576 /nfs/dbraw/zinc/24/75/76/789247576.db2.gz AWRIERPONPPRLQ-ZIAGYGMSSA-N 0 3 321.421 2.250 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1snnc1C ZINC001135235308 789252933 /nfs/dbraw/zinc/25/29/33/789252933.db2.gz JCMFELNRGBSSNS-QWRGUYRKSA-N 0 3 310.467 2.432 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001070421636 789321016 /nfs/dbraw/zinc/32/10/16/789321016.db2.gz SCVXCXCFMGYKHD-HIFRSBDPSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001070427771 789325390 /nfs/dbraw/zinc/32/53/90/789325390.db2.gz CRMPKROPRCXOPX-HIFRSBDPSA-N 0 3 314.433 2.191 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001070738057 789443295 /nfs/dbraw/zinc/44/32/95/789443295.db2.gz MQQXFMGZXLXQOG-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001070769096 789451748 /nfs/dbraw/zinc/45/17/48/789451748.db2.gz XVFRREPDLOCTPN-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001070927001 789483932 /nfs/dbraw/zinc/48/39/32/789483932.db2.gz TUMMZGWTJYOFNT-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071053882 789507272 /nfs/dbraw/zinc/50/72/72/789507272.db2.gz OZJLKPWEQGBOOI-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2ccc(F)cn2)CCC1 ZINC001159638508 789553438 /nfs/dbraw/zinc/55/34/38/789553438.db2.gz VDXZKIORLRGCJG-UHFFFAOYSA-N 0 3 303.381 2.010 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001071141424 789554640 /nfs/dbraw/zinc/55/46/40/789554640.db2.gz FFFNWOWTZNGRQX-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001086808677 789574905 /nfs/dbraw/zinc/57/49/05/789574905.db2.gz VNJHFTPGOQMGPT-JARUQAPTSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(C)(F)F)C[C@H](C)O2 ZINC001071210252 789594716 /nfs/dbraw/zinc/59/47/16/789594716.db2.gz XJMJJLHRRCUTIL-BBRMVZONSA-N 0 3 316.392 2.300 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)[C@@H](O)C1 ZINC001090528077 789647680 /nfs/dbraw/zinc/64/76/80/789647680.db2.gz GVUIRAKYJYWKSX-MSOLQXFVSA-N 0 3 316.445 2.380 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2C2CCC2)CC[C@@H]1C ZINC001071515540 789752569 /nfs/dbraw/zinc/75/25/69/789752569.db2.gz VGVODCVBEGNLBJ-GJZGRUSLSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(CC(C)C)n2)CC[C@@H]1C ZINC001071543750 789770041 /nfs/dbraw/zinc/77/00/41/789770041.db2.gz NERKJCQRAUILET-JKSUJKDBSA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cnccc2C)CC[C@@H]1C ZINC001071579509 789792597 /nfs/dbraw/zinc/79/25/97/789792597.db2.gz FRANSWYEIBCIFT-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn3ccc(C)cc23)CC[C@@H]1C ZINC001071589286 789797086 /nfs/dbraw/zinc/79/70/86/789797086.db2.gz SCEUPDNSIFGQED-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)CC[C@@H]1C ZINC001071602793 789806220 /nfs/dbraw/zinc/80/62/20/789806220.db2.gz LGZIXUKFJBXGOB-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)c2cccnc2)CC[C@@H]1C ZINC001071627407 789824162 /nfs/dbraw/zinc/82/41/62/789824162.db2.gz FJOXLXMTOCPWQL-DOTOQJQBSA-N 0 3 313.445 2.352 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C)c2CC)CC[C@@H]1C ZINC001071642151 789834769 /nfs/dbraw/zinc/83/47/69/789834769.db2.gz LDRJDOVLCJSSNM-KBPBESRZSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCN1C[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)CC[C@H]1C ZINC001071646673 789838227 /nfs/dbraw/zinc/83/82/27/789838227.db2.gz ARIJGDWEMIEDPA-PWSUYJOCSA-N 0 3 320.824 2.156 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccn3nccc23)CC[C@@H]1C ZINC001071645644 789838570 /nfs/dbraw/zinc/83/85/70/789838570.db2.gz LJJBZRBDCUOMNB-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn3cncc3c2)CC[C@H]1C ZINC001071651455 789842120 /nfs/dbraw/zinc/84/21/20/789842120.db2.gz IWBPXWJZUPLNQF-GDBMZVCRSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cncc(C)c2)CC[C@H]1C ZINC001071708582 789879281 /nfs/dbraw/zinc/87/92/81/789879281.db2.gz JEQJTAYXZOPCDB-WBVHZDCISA-N 0 3 301.434 2.478 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c(c2)CCO3)CC[C@@H]1C ZINC001071717605 789884723 /nfs/dbraw/zinc/88/47/23/789884723.db2.gz GSHKBBIECOACKL-WMLDXEAASA-N 0 3 314.429 2.319 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn3cc(C)nc3c2)CC[C@@H]1C ZINC001071828355 789933776 /nfs/dbraw/zinc/93/37/76/789933776.db2.gz NMYMMXWHCFOHPH-DOTOQJQBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nc(C)n2)CC[C@@H]1C ZINC001071894050 789962798 /nfs/dbraw/zinc/96/27/98/789962798.db2.gz VQEANJAUJREPDL-ZFWWWQNUSA-N 0 3 302.422 2.252 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)cn1 ZINC001072001086 790006812 /nfs/dbraw/zinc/00/68/12/790006812.db2.gz AAJAMQAVHZWWIX-CZUORRHYSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncccc2Cl)CC[C@H]1C ZINC001072009292 790010663 /nfs/dbraw/zinc/01/06/63/790010663.db2.gz UJBVCUCUXZKQLN-OLZOCXBDSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccnc2OCC)CC[C@@H]1C ZINC001072038000 790027157 /nfs/dbraw/zinc/02/71/57/790027157.db2.gz YMTXFWZKOIRMIP-GJZGRUSLSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn3ccccc3n2)CC[C@@H]1C ZINC001072050462 790033601 /nfs/dbraw/zinc/03/36/01/790033601.db2.gz XWHRZPUVOZESOD-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3nccnc3c2)CC[C@@H]1C ZINC001072058813 790036535 /nfs/dbraw/zinc/03/65/35/790036535.db2.gz RWSIMUHQOFXIFA-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c[nH]c3ncccc23)CC[C@@H]1C ZINC001072109095 790056097 /nfs/dbraw/zinc/05/60/97/790056097.db2.gz BJYFDDJZDMRRTQ-DZGCQCFKSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@H]1C ZINC001072129412 790063195 /nfs/dbraw/zinc/06/31/95/790063195.db2.gz 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791577234 /nfs/dbraw/zinc/57/72/34/791577234.db2.gz IXKMFDLQZNOKQQ-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)cc1)C2 ZINC001098278160 791601082 /nfs/dbraw/zinc/60/10/82/791601082.db2.gz VRLSFKAGDZKDAS-KURKYZTESA-N 0 3 311.429 2.111 20 30 DEEDHN CCCc1nc(C(=O)NCCNCc2ccc(C#N)s2)co1 ZINC001147718661 791604527 /nfs/dbraw/zinc/60/45/27/791604527.db2.gz GAWAAMGIJQMDLQ-UHFFFAOYSA-N 0 3 318.402 2.080 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCOCC1)C2 ZINC001098513201 791644584 /nfs/dbraw/zinc/64/45/84/791644584.db2.gz QXVHBGSWCDGLNJ-SVGFKBNWSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](OCC)C3CCCC3)C2)C1 ZINC001148005065 791663219 /nfs/dbraw/zinc/66/32/19/791663219.db2.gz INCHYANDBIYDCQ-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCCCC(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001148096327 791681328 /nfs/dbraw/zinc/68/13/28/791681328.db2.gz ZHCHLYJNIQYRQV-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nccs1)C2 ZINC001110120932 791704100 /nfs/dbraw/zinc/70/41/00/791704100.db2.gz CHXQSTSQLHSREF-RDBSUJKOSA-N 0 3 305.447 2.373 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cc(F)ccc2C)nc1 ZINC001148370375 791742656 /nfs/dbraw/zinc/74/26/56/791742656.db2.gz VCKGZXZFYHCFSD-UHFFFAOYSA-N 0 3 311.360 2.030 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)CCCCCCCC)C1=O ZINC001148728158 791794779 /nfs/dbraw/zinc/79/47/79/791794779.db2.gz XWGITOKJZCSKIE-INIZCTEOSA-N 0 3 323.481 2.230 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCc3ccc(F)cc3)C[C@]2(C)C1 ZINC001091827949 791892903 /nfs/dbraw/zinc/89/29/03/791892903.db2.gz VIQVWDGLHJQTLE-APWZRJJASA-N 0 3 314.404 2.172 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@]2(C)C1 ZINC001091883234 791893395 /nfs/dbraw/zinc/89/33/95/791893395.db2.gz CQZNPMUGEGBPMH-BEFAXECRSA-N 0 3 312.413 2.186 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(F)ccc(C)c3F)C[C@]2(C)C1 ZINC001091977752 791917171 /nfs/dbraw/zinc/91/71/71/791917171.db2.gz RAGIJJNNTKZOCK-ACJLOTCBSA-N 0 3 318.367 2.300 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@]2(C)C1 ZINC001092037986 791919721 /nfs/dbraw/zinc/91/97/21/791919721.db2.gz JDANSPCVRKCJBG-XLIONFOSSA-N 0 3 324.424 2.039 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@]2(C)C1 ZINC001092094298 791930626 /nfs/dbraw/zinc/93/06/26/791930626.db2.gz FQOQRJCMHNICPA-QUCCMNQESA-N 0 3 324.424 2.134 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4sccc4[nH]3)C[C@]2(C)C1 ZINC001092167645 791935610 /nfs/dbraw/zinc/93/56/10/791935610.db2.gz XEHMLNKJOFEKIR-PXAZEXFGSA-N 0 3 313.426 2.257 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccccc3Cl)C[C@]2(C)C1 ZINC001092220758 791948567 /nfs/dbraw/zinc/94/85/67/791948567.db2.gz NBZQDTZXRBPWEC-DYVFJYSZSA-N 0 3 302.805 2.367 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3CCC(C(F)F)CC3)C[C@]2(C)C1 ZINC001092240294 791952590 /nfs/dbraw/zinc/95/25/90/791952590.db2.gz WWEMOYYDLBYDAK-HNFMNYKYSA-N 0 3 324.415 2.471 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3cccc(F)c3)C[C@]2(C)C1 ZINC001092290365 791982197 /nfs/dbraw/zinc/98/21/97/791982197.db2.gz OETXUOUSLQMBJU-GMBSWORKSA-N 0 3 314.404 2.343 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3ccnc3c2)C1 ZINC001098940578 791991564 /nfs/dbraw/zinc/99/15/64/791991564.db2.gz YYZALIIXBBBDMB-YJBOKZPZSA-N 0 3 310.401 2.105 20 30 DEEDHN CC(C)COCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001098981399 792015394 /nfs/dbraw/zinc/01/53/94/792015394.db2.gz BZKSHZLDWQNIGB-CVEARBPZSA-N 0 3 323.481 2.425 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001099002193 792029537 /nfs/dbraw/zinc/02/95/37/792029537.db2.gz UAHUNUZVJOKWGD-KXBFYZLASA-N 0 3 311.429 2.500 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncnc1 ZINC001099140553 792111784 /nfs/dbraw/zinc/11/17/84/792111784.db2.gz ZUVLODVXJIODPA-INIZCTEOSA-N 0 3 316.449 2.202 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001099140773 792112956 /nfs/dbraw/zinc/11/29/56/792112956.db2.gz DEQHNGATPQSFIC-QRFRQXIXSA-N 0 3 324.424 2.252 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CCC(OC)CC2)C1 ZINC001099185172 792129395 /nfs/dbraw/zinc/12/93/95/792129395.db2.gz ISLOKWFTIBPQJH-OLECLDRESA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1C(F)(F)F ZINC001099302531 792165614 /nfs/dbraw/zinc/16/56/14/792165614.db2.gz XJSIQJWJRDMZGU-RKDXNWHRSA-N 0 3 300.271 2.197 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c(F)ccc(F)c2F)[C@H](C)C1 ZINC001092924019 792177503 /nfs/dbraw/zinc/17/75/03/792177503.db2.gz DDPICVTZDCKZBP-GHMZBOCLSA-N 0 3 310.319 2.035 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccs2)C1 ZINC001099397352 792195099 /nfs/dbraw/zinc/19/50/99/792195099.db2.gz FVDTXBSATNXVGE-XEZPLFJOSA-N 0 3 318.446 2.021 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnoc2-c2ccccc2)[C@H](C)C1 ZINC001093090711 792240180 /nfs/dbraw/zinc/24/01/80/792240180.db2.gz AVPUQRYVNIADFA-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001093372191 792346766 /nfs/dbraw/zinc/34/67/66/792346766.db2.gz YVEJBCMOCLVQON-LJQANCHMSA-N 0 3 310.441 2.126 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)CCCC1 ZINC001100144781 792485792 /nfs/dbraw/zinc/48/57/92/792485792.db2.gz CPOYIHSMQIMNEE-GJZGRUSLSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC1CC(NCc2ccns2)C1 ZINC001100166929 792495325 /nfs/dbraw/zinc/49/53/25/792495325.db2.gz VIUZACQUQSDSDS-HSBZDZAISA-N 0 3 323.462 2.109 20 30 DEEDHN CC(C)N1CCC[C@H]1C(=O)NCCNc1cccc(F)c1C#N ZINC001093879359 792631225 /nfs/dbraw/zinc/63/12/25/792631225.db2.gz GEKYSNUEHXXJBF-INIZCTEOSA-N 0 3 318.396 2.098 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1CC(NCc2ccc(C#N)cc2F)C1 ZINC001100573773 792726792 /nfs/dbraw/zinc/72/67/92/792726792.db2.gz KQZAPLUHJLCHQP-PESDSKBTSA-N 0 3 321.371 2.430 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1CC(N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001100711609 792805704 /nfs/dbraw/zinc/80/57/04/792805704.db2.gz YAEFJKDRNNJMQS-XGNXJENSSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@H](C)CC)c2)C1 ZINC001101091298 793014618 /nfs/dbraw/zinc/01/46/18/793014618.db2.gz ZPDINBHOPJAQLB-RHSMWYFYSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)CCCF)c2)C1 ZINC001101095539 793015510 /nfs/dbraw/zinc/01/55/10/793015510.db2.gz LARAMBDCYXSEKQ-INIZCTEOSA-N 0 3 321.396 2.087 20 30 DEEDHN COC(=O)Cc1cc(NCCOc2ccc(C#N)cc2)ccn1 ZINC001171484483 793092709 /nfs/dbraw/zinc/09/27/09/793092709.db2.gz QPFWOVSEHPHJNP-UHFFFAOYSA-N 0 3 311.341 2.160 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(F)F)C2 ZINC001094829566 793142554 /nfs/dbraw/zinc/14/25/54/793142554.db2.gz YYDZVNSPUJUMLM-CQDKDKBSSA-N 0 3 319.355 2.292 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001101484027 793178619 /nfs/dbraw/zinc/17/86/19/793178619.db2.gz VFWMVNLTLHPGDD-VYDXJSESSA-N 0 3 312.429 2.108 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CCC2CCCC2)[C@H](C)C1 ZINC001101695461 793324467 /nfs/dbraw/zinc/32/44/67/793324467.db2.gz RPNUSHFYKNZTPD-SJLPKXTDSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001101892196 793428818 /nfs/dbraw/zinc/42/88/18/793428818.db2.gz MXFLQALZJRCSRA-SJLPKXTDSA-N 0 3 313.445 2.459 20 30 DEEDHN C[C@H](CCCC#N)n1nc(C(=O)NC2CCC2)c2c1CCNC2 ZINC001172497382 793438509 /nfs/dbraw/zinc/43/85/09/793438509.db2.gz BKAXLIFWPMMYGN-GFCCVEGCSA-N 0 3 315.421 2.066 20 30 DEEDHN C[C@@H](CCCC#N)n1nc(C(=O)NC2CCC2)c2c1CCNC2 ZINC001172497383 793439420 /nfs/dbraw/zinc/43/94/20/793439420.db2.gz BKAXLIFWPMMYGN-LBPRGKRZSA-N 0 3 315.421 2.066 20 30 DEEDHN N#Cc1cncc(CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)c1 ZINC001172665376 793473010 /nfs/dbraw/zinc/47/30/10/793473010.db2.gz YYINLDSIVDVIAN-SFHVURJKSA-N 0 3 320.396 2.234 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102092311 793502235 /nfs/dbraw/zinc/50/22/35/793502235.db2.gz PTEHVXHSWILAAM-OWCLPIDISA-N 0 3 308.466 2.003 20 30 DEEDHN C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001172861435 793521067 /nfs/dbraw/zinc/52/10/67/793521067.db2.gz RSRKFYBXHDZKJT-RVBZMBCESA-N 0 3 300.761 2.236 20 30 DEEDHN C#CCN1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920979 793532395 /nfs/dbraw/zinc/53/23/95/793532395.db2.gz NBFOVZDTIULVAP-QGZVFWFLSA-N 0 3 313.401 2.093 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C)(O)CC2)C[C@H]1C#N ZINC001172979481 793550044 /nfs/dbraw/zinc/55/00/44/793550044.db2.gz DRYDAMZXGWXOMG-KGLIPLIRSA-N 0 3 323.437 2.125 20 30 DEEDHN CC(=O)NCC[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001102627801 793679192 /nfs/dbraw/zinc/67/91/92/793679192.db2.gz QWBJFJXTHFVONW-RHSMWYFYSA-N 0 3 302.393 2.271 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1CN(C2CCC(CC#N)CC2)C[C@H]1O ZINC001173337305 793682448 /nfs/dbraw/zinc/68/24/48/793682448.db2.gz GCXHUJQHKRLKSM-PFSRBDOWSA-N 0 3 323.437 2.029 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CN(Cc2snnc2C)C[C@H]1C ZINC001102762560 793745187 /nfs/dbraw/zinc/74/51/87/793745187.db2.gz FTVNUDWQSVVVSQ-TZMCWYRMSA-N 0 3 322.478 2.387 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001102853360 793790432 /nfs/dbraw/zinc/79/04/32/793790432.db2.gz MGMGSBWCKMBRGL-BXUZGUMPSA-N 0 3 323.824 2.228 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCC[C@@H]1CN(CCF)C[C@H]1C)OCC ZINC001103052806 793916162 /nfs/dbraw/zinc/91/61/62/793916162.db2.gz OZTOTVAKABLEQV-BZUAXINKSA-N 0 3 314.445 2.401 20 30 DEEDHN CCCN(C)CC(=O)NC[C@H](CC)Nc1cccc(F)c1C#N ZINC001103148921 793958191 /nfs/dbraw/zinc/95/81/91/793958191.db2.gz MUFRNIQBPBRXQP-ZDUSSCGKSA-N 0 3 320.412 2.346 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)COC)C1 ZINC001103229057 793992398 /nfs/dbraw/zinc/99/23/98/793992398.db2.gz RCMLTMNLVYNCSG-TZMCWYRMSA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnn(CC(C)C)c1C ZINC001174843592 794083618 /nfs/dbraw/zinc/08/36/18/794083618.db2.gz SPOFZUCONHTVQN-UHFFFAOYSA-N 0 3 312.845 2.310 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCCCNCC#N ZINC001175573129 794244689 /nfs/dbraw/zinc/24/46/89/794244689.db2.gz OLFKFOGEILIKHX-CVEARBPZSA-N 0 3 308.470 2.037 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)o2)C1 ZINC001111575534 794435324 /nfs/dbraw/zinc/43/53/24/794435324.db2.gz DJTCAYRMZMVWAQ-YJBOKZPZSA-N 0 3 318.417 2.375 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(C)c2)C1 ZINC001111720048 794460013 /nfs/dbraw/zinc/46/00/13/794460013.db2.gz DGZTVCNQQJBCKT-WMZOPIPTSA-N 0 3 318.417 2.375 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)COc2ccccc2)C1 ZINC001111954929 794534213 /nfs/dbraw/zinc/53/42/13/794534213.db2.gz BJHYFWBELXHYLA-LPHOPBHVSA-N 0 3 312.413 2.059 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1C(F)(F)F ZINC001112056832 794550486 /nfs/dbraw/zinc/55/04/86/794550486.db2.gz QMHMWIFXLDKGJR-RDNHTORASA-N 0 3 314.351 2.345 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cnn(C)c2)CCCCC1 ZINC001115442927 794773855 /nfs/dbraw/zinc/77/38/55/794773855.db2.gz XBVUWYWVFOTPGR-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001177918024 794776890 /nfs/dbraw/zinc/77/68/90/794776890.db2.gz OSNPQEDURFJLQR-JTQLQIEISA-N 0 3 311.370 2.018 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(NCc2ccns2)CCCCC1 ZINC001115453521 794778728 /nfs/dbraw/zinc/77/87/28/794778728.db2.gz UCGIRFHKKIRXNW-LBPRGKRZSA-N 0 3 306.435 2.211 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC001178130542 794849917 /nfs/dbraw/zinc/84/99/17/794849917.db2.gz CYYHENRVHZNXPF-PMPSAXMXSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC001178130541 794850033 /nfs/dbraw/zinc/85/00/33/794850033.db2.gz CYYHENRVHZNXPF-JYJNAYRXSA-N 0 3 323.481 2.035 20 30 DEEDHN Cc1ocnc1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178245277 794866190 /nfs/dbraw/zinc/86/61/90/794866190.db2.gz FHLZSTVNFKPQIA-YOEHRIQHSA-N 0 3 323.396 2.227 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@H](C(=O)NC2CC2)C1 ZINC001116444609 794956996 /nfs/dbraw/zinc/95/69/96/794956996.db2.gz ZZQLQYJAYKJTRB-INIZCTEOSA-N 0 3 312.413 2.189 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC001116555196 794967331 /nfs/dbraw/zinc/96/73/31/794967331.db2.gz NEXLWUYJJDIKRU-PBHICJAKSA-N 0 3 319.401 2.404 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(C)(C)CC)[C@H]1C ZINC001178781881 795005983 /nfs/dbraw/zinc/00/59/83/795005983.db2.gz ZBKHQKGCMUMEDK-KKUMJFAQSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCOc1ccc(CN(C)Cc2ccc(C(N)=O)cc2)cc1 ZINC001117639537 795092078 /nfs/dbraw/zinc/09/20/78/795092078.db2.gz KBORJNXEABXQAO-UHFFFAOYSA-N 0 3 308.381 2.430 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCC(=O)N(CC)CC)[C@@H]1C ZINC001179384211 795110777 /nfs/dbraw/zinc/11/07/77/795110777.db2.gz GTUNBUOALHSZKN-JYJNAYRXSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)NCCCCCCNCC#N ZINC001179745996 795170813 /nfs/dbraw/zinc/17/08/13/795170813.db2.gz KOCQZNIKWGNWET-INIZCTEOSA-N 0 3 308.470 2.039 20 30 DEEDHN COCC#CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC001118570532 795200390 /nfs/dbraw/zinc/20/03/90/795200390.db2.gz MNCAMFSYOZUDDW-SFHVURJKSA-N 0 3 314.429 2.226 20 30 DEEDHN CCC(=O)N(C)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC001119376831 795294932 /nfs/dbraw/zinc/29/49/32/795294932.db2.gz DOJAQISSCGIKLP-CQSZACIVSA-N 0 3 302.378 2.019 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1cccc(C)c1C ZINC001180502488 795321867 /nfs/dbraw/zinc/32/18/67/795321867.db2.gz KNHSAPPCKQFGTN-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cc(OC)no2)C1 ZINC001180846828 795376144 /nfs/dbraw/zinc/37/61/44/795376144.db2.gz ZVIYWMCFCJAZPL-CXAGYDPISA-N 0 3 321.421 2.224 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001181057476 795410931 /nfs/dbraw/zinc/41/09/31/795410931.db2.gz GOTOHEFCHYKMNC-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C2=COCCC2)CC1 ZINC001151014702 795430810 /nfs/dbraw/zinc/43/08/10/795430810.db2.gz XYDSZNZZPPYPJX-UHFFFAOYSA-N 0 3 322.449 2.244 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC(C)=O)C1 ZINC001120318560 795439140 /nfs/dbraw/zinc/43/91/40/795439140.db2.gz GHCXGYBIEPNBCD-QZTJIDSGSA-N 0 3 318.461 2.472 20 30 DEEDHN CN1CCC[C@@](C)(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC001181207226 795441887 /nfs/dbraw/zinc/44/18/87/795441887.db2.gz KQAWKEBTTPZNRG-GOSISDBHSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001181512196 795482915 /nfs/dbraw/zinc/48/29/15/795482915.db2.gz YOXLTWJLKUQCDN-OAHLLOKOSA-N 0 3 301.365 2.354 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CC2(CC(NCc3ccccc3C#N)C2)C1 ZINC001120841827 795541200 /nfs/dbraw/zinc/54/12/00/795541200.db2.gz ZXGBCXQPSWEUDT-UNSYWJDTSA-N 0 3 322.412 2.235 20 30 DEEDHN Cc1oncc1CNC1CC2(C1)CC(NC(=O)C#CC(C)C)C2 ZINC001121081095 795587868 /nfs/dbraw/zinc/58/78/68/795587868.db2.gz HTDNHQXWPMFLIF-UHFFFAOYSA-N 0 3 315.417 2.159 20 30 DEEDHN C=C(C)CCC(=O)NC1CC2(CC(NCc3ccn(C)n3)C2)C1 ZINC001121180009 795599392 /nfs/dbraw/zinc/59/93/92/795599392.db2.gz LRBPBWMYRYXTIW-UHFFFAOYSA-N 0 3 316.449 2.293 20 30 DEEDHN C#C[C@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2CC=C)C1 ZINC001121497678 795640415 /nfs/dbraw/zinc/64/04/15/795640415.db2.gz SSHQONQFPTVBSR-HOTGVXAUSA-N 0 3 313.449 2.123 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(F)CC1 ZINC001121567792 795651357 /nfs/dbraw/zinc/65/13/57/795651357.db2.gz WYSAMEFDBVVBPQ-CYBMUJFWSA-N 0 3 307.417 2.212 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1CCN(C(C)(C)C)CC1 ZINC001121622926 795662799 /nfs/dbraw/zinc/66/27/99/795662799.db2.gz GGZBUXRWHNMXRG-UHFFFAOYSA-N 0 3 316.453 2.231 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](OC)C(C)C)C2 ZINC001121695884 795675372 /nfs/dbraw/zinc/67/53/72/795675372.db2.gz DKSMFYPGRZQRNI-SWAPUOLTSA-N 0 3 314.857 2.427 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-n2cc[nH]c2=O)c1 ZINC001121934211 795706348 /nfs/dbraw/zinc/70/63/48/795706348.db2.gz SWTRFKYWOCHANF-AWEZNQCLSA-N 0 3 300.362 2.200 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCN(C(=O)CC)C1 ZINC001121969729 795711190 /nfs/dbraw/zinc/71/11/90/795711190.db2.gz YOTBXRMUQAWPFZ-GJZGRUSLSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC001121988428 795713005 /nfs/dbraw/zinc/71/30/05/795713005.db2.gz KYAXGUODYJLAOM-OAHLLOKOSA-N 0 3 316.380 2.311 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001122331551 795748699 /nfs/dbraw/zinc/74/86/99/795748699.db2.gz NXVFWWGEDMLEIK-CABCVRRESA-N 0 3 300.402 2.462 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001182898052 795777202 /nfs/dbraw/zinc/77/72/02/795777202.db2.gz NQKFHNJKFCOGOU-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(CN1CCCC1)C(=O)NCC(=O)c1c[nH]c2ccccc12 ZINC001183085562 795797358 /nfs/dbraw/zinc/79/73/58/795797358.db2.gz BXWVFNVZNPIKQR-UHFFFAOYSA-N 0 3 311.385 2.119 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)/C=C/c2ccco2)s1 ZINC001122735757 795799974 /nfs/dbraw/zinc/79/99/74/795799974.db2.gz UFETWWRDOWICMP-ZZXKWVIFSA-N 0 3 301.371 2.132 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001183134423 795811299 /nfs/dbraw/zinc/81/12/99/795811299.db2.gz ILDPVKQHAKEYAN-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN CC(C)[C@H](C(=O)NCCCOc1ccccc1C#N)N(C)C ZINC001183365414 795856910 /nfs/dbraw/zinc/85/69/10/795856910.db2.gz KZYSBSJHYYBGPE-MRXNPFEDSA-N 0 3 303.406 2.030 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C/C=C/c2cccc(F)c2)C1 ZINC001183377554 795869996 /nfs/dbraw/zinc/86/99/96/795869996.db2.gz FFXMVCTYUIUGCO-QQOXCAACSA-N 0 3 300.377 2.443 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCCNC(=O)OC(C)(C)C ZINC001123233830 795877707 /nfs/dbraw/zinc/87/77/07/795877707.db2.gz OLHDMAFWAIYDQU-GFCCVEGCSA-N 0 3 320.393 2.384 20 30 DEEDHN Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N[C@]1(C)CCCN(C)C1 ZINC001183892484 795951404 /nfs/dbraw/zinc/95/14/04/795951404.db2.gz RYYLRMGEOKBXJJ-LJQANCHMSA-N 0 3 324.428 2.491 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2ccn(CC)n2)[C@@H](C)C1 ZINC001184079096 795989425 /nfs/dbraw/zinc/98/94/25/795989425.db2.gz STLLBTPXLVWXTB-JKSUJKDBSA-N 0 3 318.465 2.443 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001184358527 796038925 /nfs/dbraw/zinc/03/89/25/796038925.db2.gz XLIABFUXQTUBRQ-CABCVRRESA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCOCC(=O)NCCNCc1cccc(C(F)(F)F)c1 ZINC001124773078 796088531 /nfs/dbraw/zinc/08/85/31/796088531.db2.gz MQVRBIDWKMSEPJ-UHFFFAOYSA-N 0 3 316.323 2.114 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(CC)CC)C1 ZINC001185280025 796225414 /nfs/dbraw/zinc/22/54/14/796225414.db2.gz CLWMYCVXZMICOU-GDBMZVCRSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](NCc2conc2C)C12CCC2 ZINC001202846536 796242192 /nfs/dbraw/zinc/24/21/92/796242192.db2.gz LOMWFUBADCYCCH-HZPDHXFCSA-N 0 3 315.417 2.304 20 30 DEEDHN O=C(NCc1cccc(F)c1)N1CCC2SC(=O)C=C2C1 ZINC001185803575 796318777 /nfs/dbraw/zinc/31/87/77/796318777.db2.gz ZTSFFNSOMPVARN-CYBMUJFWSA-N 0 3 306.362 2.309 20 30 DEEDHN C=CCCCCCNCc1cn([C@@H]2CCCN(C(C)=O)C2)nn1 ZINC001185831301 796320808 /nfs/dbraw/zinc/32/08/08/796320808.db2.gz AOWRPFUMNCNKSP-QGZVFWFLSA-N 0 3 319.453 2.298 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001185959083 796343892 /nfs/dbraw/zinc/34/38/92/796343892.db2.gz IIZPRMQVIYBMSP-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001186472268 796405908 /nfs/dbraw/zinc/40/59/08/796405908.db2.gz JFBDLVPYMCRJQR-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCn1cc(CN2CC[C@@H]3OCCC[C@]3(COC)C2)cn1 ZINC001139769693 796424786 /nfs/dbraw/zinc/42/47/86/796424786.db2.gz NSRPJISNPFJREG-DLBZAZTESA-N 0 3 305.422 2.087 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001186674621 796434723 /nfs/dbraw/zinc/43/47/23/796434723.db2.gz UBNMDMZIUGVCKB-WMLDXEAASA-N 0 3 318.392 2.175 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001187115923 796484345 /nfs/dbraw/zinc/48/43/45/796484345.db2.gz VIROFGIABOUEEL-SJORKVTESA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCC(C)(C(=O)OC)CC1 ZINC001187195762 796498302 /nfs/dbraw/zinc/49/83/02/796498302.db2.gz HWZVKRMCZYYVQM-CSLYMUCUSA-N 0 3 322.449 2.123 20 30 DEEDHN CC(C)Oc1ncnc2c1CCN(Cc1ccc(C#N)nc1)CC2 ZINC001140541405 796536620 /nfs/dbraw/zinc/53/66/20/796536620.db2.gz HQFKHAHGXNDTIL-UHFFFAOYSA-N 0 3 323.400 2.131 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)C1 ZINC001187490814 796542952 /nfs/dbraw/zinc/54/29/52/796542952.db2.gz FORDILBIZOOFRH-ZHALLVOQSA-N 0 3 314.404 2.270 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C)nc3ccccc32)C1 ZINC001187572379 796553903 /nfs/dbraw/zinc/55/39/03/796553903.db2.gz BLKPAVJSSUCFPM-OAHLLOKOSA-N 0 3 307.397 2.371 20 30 DEEDHN CC(C)COCCN1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001187857493 796590679 /nfs/dbraw/zinc/59/06/79/796590679.db2.gz NOYHXKKACRBJOI-DLBZAZTESA-N 0 3 320.477 2.241 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C3CCCC3)no2)C1 ZINC001187939951 796606261 /nfs/dbraw/zinc/60/62/61/796606261.db2.gz SMXYDVAKXKPDAP-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cn[nH]c1)[C@@H]2CC ZINC001203090824 796629439 /nfs/dbraw/zinc/62/94/39/796629439.db2.gz RBNZYJXWVLTSSA-WBVHZDCISA-N 0 3 302.422 2.331 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COCc3ccc(C)cc3)[C@@H]2C1 ZINC001188138243 796630896 /nfs/dbraw/zinc/63/08/96/796630896.db2.gz SNNJIJFBZBCVAC-ZWKOTPCHSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CC[C@@H](CC(=O)N1CC[C@@H](NCC#CC)C1)c1ccccc1 ZINC001188438408 796670056 /nfs/dbraw/zinc/67/00/56/796670056.db2.gz MXLRNZLKGQQQOJ-RBUKOAKNSA-N 0 3 308.425 2.397 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nnc(CCCCC)s1 ZINC000838624173 796671861 /nfs/dbraw/zinc/67/18/61/796671861.db2.gz KOCHHKALOZWSNG-UHFFFAOYSA-N 0 3 323.466 2.347 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(OCC=C)c1 ZINC000838624226 796671977 /nfs/dbraw/zinc/67/19/77/796671977.db2.gz NFIPQXSCFCGGFW-UHFFFAOYSA-N 0 3 301.390 2.328 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)cc1OCC ZINC000838624240 796672050 /nfs/dbraw/zinc/67/20/50/796672050.db2.gz NXNALVNFEIDRDK-UHFFFAOYSA-N 0 3 303.406 2.470 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001188692925 796707252 /nfs/dbraw/zinc/70/72/52/796707252.db2.gz GZIDJSSKSOAOCV-MRXNPFEDSA-N 0 3 302.418 2.344 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cccn4ccnc34)C2)C1=O ZINC001142949344 796788430 /nfs/dbraw/zinc/78/84/30/796788430.db2.gz ZGYZUHOBNVESQD-IBGZPJMESA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001189433307 796828104 /nfs/dbraw/zinc/82/81/04/796828104.db2.gz NBRAMQHSYFMAAD-GOEBONIOSA-N 0 3 320.458 2.405 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(F)cc2F)cc1 ZINC001149636162 796879123 /nfs/dbraw/zinc/87/91/23/796879123.db2.gz DGCYZYDAJGMGTN-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccc(C)cc2)C1 ZINC001149954583 796907906 /nfs/dbraw/zinc/90/79/06/796907906.db2.gz QWRONEKOFIFDNG-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001150167141 796924808 /nfs/dbraw/zinc/92/48/08/796924808.db2.gz YJNAAKOCCGKCTL-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(C)(C)C(F)F)C1 ZINC001150290875 796932821 /nfs/dbraw/zinc/93/28/21/796932821.db2.gz HRSXZEYHOUGYDK-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN CN(C[C@H]1CCCCO1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084586 796935794 /nfs/dbraw/zinc/93/57/94/796935794.db2.gz PQXSYOUOHBDWKT-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001150542272 796952155 /nfs/dbraw/zinc/95/21/55/796952155.db2.gz XEQVJHQXDTUDLA-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC[C@@H](C)[C@@H](C(=O)NCCNCC#CCOC)c1ccccc1 ZINC001150640897 796964189 /nfs/dbraw/zinc/96/41/89/796964189.db2.gz CRPFZRXKZPLRPS-SJLPKXTDSA-N 0 3 316.445 2.172 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)Cc2ccoc2)CC1 ZINC001151074615 797008752 /nfs/dbraw/zinc/00/87/52/797008752.db2.gz BSLRZQZHTMLQNB-UHFFFAOYSA-N 0 3 320.433 2.386 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2conc2C)CC1 ZINC001151288309 797030217 /nfs/dbraw/zinc/03/02/17/797030217.db2.gz NVCABYFJLUFJHX-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2nocc2C)CC1 ZINC001151392567 797039863 /nfs/dbraw/zinc/03/98/63/797039863.db2.gz KZCFECVQSCIZPA-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](CC)CC(F)F)C1 ZINC001190613582 797041134 /nfs/dbraw/zinc/04/11/34/797041134.db2.gz PNWBUIGQRIYHQM-ZIAGYGMSSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001190675955 797055345 /nfs/dbraw/zinc/05/53/45/797055345.db2.gz BIJUYFZNGPJHTH-IACUBPJLSA-N 0 3 308.447 2.186 20 30 DEEDHN CCCCCCCC[C@@H](C)C(=O)NCCN[C@@H](CC)C(N)=O ZINC001151849189 797106704 /nfs/dbraw/zinc/10/67/04/797106704.db2.gz XNLNOTSHNABYHW-CABCVRRESA-N 0 3 313.486 2.343 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1csc(C)c1 ZINC001153307003 797318835 /nfs/dbraw/zinc/31/88/35/797318835.db2.gz YQMJCPJUHYJROO-CQSZACIVSA-N 0 3 322.474 2.423 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001153327669 797322238 /nfs/dbraw/zinc/32/22/38/797322238.db2.gz RNCFOQNAUARJNQ-CABCVRRESA-N 0 3 320.408 2.191 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001153549491 797352078 /nfs/dbraw/zinc/35/20/78/797352078.db2.gz VRTBKBMAGMIYBR-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001192316058 797361411 /nfs/dbraw/zinc/36/14/11/797361411.db2.gz NEFPUHXUVDGAHG-CABCVRRESA-N 0 3 306.406 2.118 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC001192577625 797414158 /nfs/dbraw/zinc/41/41/58/797414158.db2.gz IGOQHLUYJUUNMO-MRXNPFEDSA-N 0 3 318.465 2.098 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC001154015244 797443593 /nfs/dbraw/zinc/44/35/93/797443593.db2.gz DRWYKWWSUHIQCI-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001192795212 797449106 /nfs/dbraw/zinc/44/91/06/797449106.db2.gz WBTCYRXTKVRXCD-IKGGRYGDSA-N 0 3 306.450 2.467 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1n[nH]c(C2CC2)c1Cl ZINC001154167990 797477188 /nfs/dbraw/zinc/47/71/88/797477188.db2.gz YWZVLAISIHMXQC-LLVKDONJSA-N 0 3 322.840 2.404 20 30 DEEDHN CN1CCC(N(C(=O)c2cnccc2C#N)C2CCCC2)CC1 ZINC001192974089 797485187 /nfs/dbraw/zinc/48/51/87/797485187.db2.gz LPFZNRVXQZVAHE-UHFFFAOYSA-N 0 3 312.417 2.432 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1 ZINC001193312392 797543422 /nfs/dbraw/zinc/54/34/22/797543422.db2.gz ZJBKPOYECCIAJD-MRXNPFEDSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001193372582 797554711 /nfs/dbraw/zinc/55/47/11/797554711.db2.gz DDFJEACVEHLJPB-MRXNPFEDSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC001193432432 797566305 /nfs/dbraw/zinc/56/63/05/797566305.db2.gz KFCXIWQJUVVXRK-OAHLLOKOSA-N 0 3 320.433 2.499 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC001193587276 797588262 /nfs/dbraw/zinc/58/82/62/797588262.db2.gz LESRYRGZZYLEEW-LBPRGKRZSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)OCc2ccc(F)cc2)C1 ZINC001193775888 797618905 /nfs/dbraw/zinc/61/89/05/797618905.db2.gz AOFFYDQGRKUPTD-PBHICJAKSA-N 0 3 320.408 2.450 20 30 DEEDHN Cc1ccc(C#N)c(-n2nc(C(F)(F)F)c3c2CCNC3)n1 ZINC001154846907 797625159 /nfs/dbraw/zinc/62/51/59/797625159.db2.gz JJDGHEMYNNPCQB-UHFFFAOYSA-N 0 3 307.279 2.112 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2ccc(OC)cc2)C1 ZINC001194017679 797663231 /nfs/dbraw/zinc/66/32/31/797663231.db2.gz RMLLWGWVVIJSTC-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001194397111 797721864 /nfs/dbraw/zinc/72/18/64/797721864.db2.gz OXEYULHXLZGFIZ-WMLDXEAASA-N 0 3 320.408 2.450 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001194461816 797728490 /nfs/dbraw/zinc/72/84/90/797728490.db2.gz YKDUMDMZOXBASX-HFBAOOFYSA-N 0 3 322.474 2.495 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnnc2ccccc21 ZINC001155460144 797761464 /nfs/dbraw/zinc/76/14/64/797761464.db2.gz GCWORMRHXWOUDV-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 ZINC001194808898 797780202 /nfs/dbraw/zinc/78/02/02/797780202.db2.gz 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/nfs/dbraw/zinc/84/09/73/797840973.db2.gz BRVLQYYINKDXEO-HYVNUMGLSA-N 0 3 314.429 2.259 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC[C@@H]2CCCO2)CC1 ZINC001195175026 797851248 /nfs/dbraw/zinc/85/12/48/797851248.db2.gz YHGCVSAYOWMXSM-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN N#Cc1cc2nc(N[C@H]3CCCC[C@@]34CNCCO4)ccc2[nH]1 ZINC001155833165 797859391 /nfs/dbraw/zinc/85/93/91/797859391.db2.gz HMUYHZQUTYXCEC-DOTOQJQBSA-N 0 3 311.389 2.148 20 30 DEEDHN C=CCOCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001195283421 797869740 /nfs/dbraw/zinc/86/97/40/797869740.db2.gz CBNMDEJIZWEAEX-UHFFFAOYSA-N 0 3 308.447 2.028 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1O ZINC001195301765 797874636 /nfs/dbraw/zinc/87/46/36/797874636.db2.gz QOSJWSULPWYTJI-QXUXXFOKSA-N 0 3 306.450 2.088 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001195312083 797876995 /nfs/dbraw/zinc/87/69/95/797876995.db2.gz CSBISKPLUFVVOG-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN N#Cc1ccc([N+](=O)[O-])c(N2CCNC[C@H]2c2cccs2)n1 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DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccc2c(c1)CCC2 ZINC001156740336 798074500 /nfs/dbraw/zinc/07/45/00/798074500.db2.gz JBVKQEYBWFITLE-OAHLLOKOSA-N 0 3 314.429 2.014 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CCCF)CC1 ZINC001196665874 798090057 /nfs/dbraw/zinc/09/00/57/798090057.db2.gz IZQKHFKVGZGPAA-INIZCTEOSA-N 0 3 300.418 2.109 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1nc2ccccc2o1 ZINC001156849092 798094582 /nfs/dbraw/zinc/09/45/82/798094582.db2.gz NRAHPKVBSBYDAU-CQSZACIVSA-N 0 3 313.401 2.220 20 30 DEEDHN CO[C@H](C)CCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156901178 798104483 /nfs/dbraw/zinc/10/44/83/798104483.db2.gz GRKSTUBXIKEKOI-CYBMUJFWSA-N 0 3 321.396 2.108 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001156948896 798116757 /nfs/dbraw/zinc/11/67/57/798116757.db2.gz DBDJATKJSHTACJ-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCOc1ccccc1F ZINC001157069516 798137806 /nfs/dbraw/zinc/13/78/06/798137806.db2.gz ZLWAEOJYTRAFCY-OAHLLOKOSA-N 0 3 320.408 2.445 20 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CC#CCNC[C@@H]1CN(C(=O)[C@H](CCC)C(C)C)CCCO1 ZINC001201545449 798767293 /nfs/dbraw/zinc/76/72/93/798767293.db2.gz DCNWYZSAGYXOFI-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nccc(C(=O)OC(C)(C)C)n1 ZINC001160954276 798770161 /nfs/dbraw/zinc/77/01/61/798770161.db2.gz UKCHGWKNORDPEI-ZDUSSCGKSA-N 0 3 318.421 2.494 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cccc(C)c2Cl)CCCO1 ZINC001201678632 798782670 /nfs/dbraw/zinc/78/26/70/798782670.db2.gz NATMFBHUYIEWTF-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC001161101501 798795615 /nfs/dbraw/zinc/79/56/15/798795615.db2.gz CJXNKFBICQDRKS-DOTOQJQBSA-N 0 3 304.434 2.106 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@@H](C)C(C)(C)C)CCCO1 ZINC001201944057 798813653 /nfs/dbraw/zinc/81/36/53/798813653.db2.gz DGFMNSJSDYRKSV-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2cnns2)CC1 ZINC001202123211 798829540 /nfs/dbraw/zinc/82/95/40/798829540.db2.gz OSAQLXNZMRKIBE-LBPRGKRZSA-N 0 3 308.451 2.221 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202129854 798830900 /nfs/dbraw/zinc/83/09/00/798830900.db2.gz AWXUOOJKNYUFOE-OAHLLOKOSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCCCC(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202273052 798850087 /nfs/dbraw/zinc/85/00/87/798850087.db2.gz IFTINVQCJOUTNR-UHFFFAOYSA-N 0 3 302.422 2.222 20 30 DEEDHN C=CCCCC(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202273976 798850216 /nfs/dbraw/zinc/85/02/16/798850216.db2.gz WVLMJFHBRQYHLG-UHFFFAOYSA-N 0 3 302.422 2.222 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccc3cccnn32)CC1 ZINC001161417684 798851028 /nfs/dbraw/zinc/85/10/28/798851028.db2.gz TTWQZWMHNLDZIP-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001161645235 798902767 /nfs/dbraw/zinc/90/27/67/798902767.db2.gz ACPTWXRYHXCVKW-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)COc2ccccc2)CC1 ZINC001161771730 798933566 /nfs/dbraw/zinc/93/35/66/798933566.db2.gz QYRMDQDDXFWOFH-UHFFFAOYSA-N 0 3 312.413 2.227 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](OC)C2CCCC2)CC1 ZINC001161796531 798939429 /nfs/dbraw/zinc/93/94/29/798939429.db2.gz LYEJBUQYYAOLNU-GOSISDBHSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC001161875338 798955407 /nfs/dbraw/zinc/95/54/07/798955407.db2.gz YMVBOKNGRLHGIL-UHFFFAOYSA-N 0 3 324.384 2.055 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccccc2C)(COC)CC1 ZINC001162077634 799006157 /nfs/dbraw/zinc/00/61/57/799006157.db2.gz WYELUIBUIBSHQQ-UHFFFAOYSA-N 0 3 314.429 2.087 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCCC1)C2 ZINC001110756034 799013979 /nfs/dbraw/zinc/01/39/79/799013979.db2.gz HKHWIYGXXDOEIF-OIISXLGYSA-N 0 3 304.434 2.081 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001114353414 799067325 /nfs/dbraw/zinc/06/73/25/799067325.db2.gz RSKWYDAPDXLBGY-NTDBWNAOSA-N 0 3 314.429 2.123 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(COC)CCN(CC#CC)CC1 ZINC001162424653 799085492 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C#CCNCCN(CCc1ccccc1)C(=O)CO[C@H](C)CC ZINC001162780552 799172956 /nfs/dbraw/zinc/17/29/56/799172956.db2.gz ZBCLJJVBUSSVRX-QGZVFWFLSA-N 0 3 316.445 2.096 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1OC ZINC001213309164 799194987 /nfs/dbraw/zinc/19/49/87/799194987.db2.gz OTGFIPWBMIMSLE-KIUVSXKZSA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H](F)C(C)C ZINC001162892431 799197330 /nfs/dbraw/zinc/19/73/30/799197330.db2.gz NVWWNNINYYHSRZ-KRWDZBQOSA-N 0 3 304.409 2.275 20 30 DEEDHN COCC(C)(C)CC(=O)NCCCNCc1ccccc1C#N ZINC001163157695 799264852 /nfs/dbraw/zinc/26/48/52/799264852.db2.gz RRCNOHZPDZRANM-UHFFFAOYSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@@H](NCc2cnc(C)nc2)C12CCC2 ZINC001202617037 799289117 /nfs/dbraw/zinc/28/91/17/799289117.db2.gz KCEMQSDKPDGBTL-HZPDHXFCSA-N 0 3 314.433 2.268 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCC1(CNCC=C(Cl)Cl)CC1 ZINC001163830903 799442387 /nfs/dbraw/zinc/44/23/87/799442387.db2.gz OGUSHPQEDZWRLC-JTQLQIEISA-N 0 3 304.221 2.341 20 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DEEDHN C=C(Cl)CNCC1(CCNC(=O)C2(COCC)CC2)CC1 ZINC001165809454 799777752 /nfs/dbraw/zinc/77/77/52/799777752.db2.gz FICXJPQEOVNCHH-UHFFFAOYSA-N 0 3 314.857 2.432 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2nccnc2C)CC1 ZINC001165921091 799795906 /nfs/dbraw/zinc/79/59/06/799795906.db2.gz FRDLDERINCPXDA-UHFFFAOYSA-N 0 3 302.422 2.127 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001165929915 799797517 /nfs/dbraw/zinc/79/75/17/799797517.db2.gz QOCQXBSWYFJMKV-SFHVURJKSA-N 0 3 318.465 2.418 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001165929289 799797592 /nfs/dbraw/zinc/79/75/92/799797592.db2.gz KKHNAZRFHRQBJA-KRWDZBQOSA-N 0 3 304.438 2.028 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2n[nH]c3c2CCC3)CC1 ZINC001165942067 799800243 /nfs/dbraw/zinc/80/02/43/799800243.db2.gz SYCGVLKTKCXOSZ-UHFFFAOYSA-N 0 3 322.840 2.141 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnn2C(C)C)C[C@@H]1C ZINC000947352639 799819589 /nfs/dbraw/zinc/81/95/89/799819589.db2.gz MYQTUGRWKZVIAM-LSDHHAIUSA-N 0 3 302.422 2.070 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CCN1Cc1ccc(C#N)cc1 ZINC000947083851 799843199 /nfs/dbraw/zinc/84/31/99/799843199.db2.gz BUTQJTJEZMBRPH-CJNGLKHVSA-N 0 3 323.400 2.064 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)c(COC)c1 ZINC001166342875 799860281 /nfs/dbraw/zinc/86/02/81/799860281.db2.gz ZAKFSNPEEZSVDV-UHFFFAOYSA-N 0 3 314.788 2.434 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)c1ccco1 ZINC001166506185 799878432 /nfs/dbraw/zinc/87/84/32/799878432.db2.gz AFGRLHHFLRRKEP-LLVKDONJSA-N 0 3 315.211 2.388 20 30 DEEDHN C=CC(C)(C)C(=O)NCCC1(CNCc2snnc2C)CC1 ZINC001166579212 799893034 /nfs/dbraw/zinc/89/30/34/799893034.db2.gz FWNPKROYBZGQKD-UHFFFAOYSA-N 0 3 322.478 2.435 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccn2cc(C)nc2c1 ZINC001166633557 799907100 /nfs/dbraw/zinc/90/71/00/799907100.db2.gz HDBLVKXLQAHIOW-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1(CF)CCC1 ZINC001166974242 799994643 /nfs/dbraw/zinc/99/46/43/799994643.db2.gz GNMZDEXXXFXULM-UHFFFAOYSA-N 0 3 307.207 2.131 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C12CCC2 ZINC001203814190 800126101 /nfs/dbraw/zinc/12/61/01/800126101.db2.gz HSLGABMXLZCMFN-KGLIPLIRSA-N 0 3 312.841 2.349 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCC[C@@H](C)O ZINC001111073958 800347459 /nfs/dbraw/zinc/34/74/59/800347459.db2.gz ZXYYXGIIGOWNBS-FPCVCCKLSA-N 0 3 308.466 2.471 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cocn2)CCN1Cc1ccc(C#N)cc1 ZINC000947130781 800354699 /nfs/dbraw/zinc/35/46/99/800354699.db2.gz MEMVUUZKEBUBII-CZUORRHYSA-N 0 3 324.384 2.329 20 30 DEEDHN C=CCCCN(CC)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000934646828 800408714 /nfs/dbraw/zinc/40/87/14/800408714.db2.gz XEPVZTBWAUELBU-UHFFFAOYSA-N 0 3 302.378 2.495 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)OC1CCCC1)C2 ZINC001111084565 800508345 /nfs/dbraw/zinc/50/83/45/800508345.db2.gz JGZXKWHTLXFWEB-BGTYHANMSA-N 0 3 318.461 2.469 20 30 DEEDHN CC[C@H](C#Cc1ccccc1)OCCCN1CCN(C)CC1 ZINC001206595803 800561907 /nfs/dbraw/zinc/56/19/07/800561907.db2.gz INWYVYBBUSFTLH-LJQANCHMSA-N 0 3 300.446 2.471 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nc2c(s1)CCC2(C)C ZINC001206614469 800564943 /nfs/dbraw/zinc/56/49/43/800564943.db2.gz BLMJDZRRSHGQGZ-UHFFFAOYSA-N 0 3 320.462 2.444 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001207057009 800669891 /nfs/dbraw/zinc/66/98/91/800669891.db2.gz JIIVAYRQENCBHK-CKEIUWERSA-N 0 3 318.392 2.053 20 30 DEEDHN CCOC(=O)C[C@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC001207107764 800685384 /nfs/dbraw/zinc/68/53/84/800685384.db2.gz BBEGKUNQWWNXJV-DZGCQCFKSA-N 0 3 303.406 2.308 20 30 DEEDHN Cc1ncccc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001207155053 800697896 /nfs/dbraw/zinc/69/78/96/800697896.db2.gz JKVOATZNXALRJS-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COCc2ccc(C)cc2)C1 ZINC001207397196 800743532 /nfs/dbraw/zinc/74/35/32/800743532.db2.gz FYUPNXOGZSJTHS-NVXWUHKLSA-N 0 3 302.418 2.134 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](NCc2ccccn2)C1 ZINC001207619002 800789965 /nfs/dbraw/zinc/78/99/65/800789965.db2.gz SVSNAUYUFXYRRR-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN CO[C@H](C)CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207645618 800796939 /nfs/dbraw/zinc/79/69/39/800796939.db2.gz OHCHZHVLPJJFQJ-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001207722633 800817946 /nfs/dbraw/zinc/81/79/46/800817946.db2.gz MJLLMYXDTLNSGM-VXGBXAGGSA-N 0 3 302.340 2.179 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC001207860609 800851594 /nfs/dbraw/zinc/85/15/94/800851594.db2.gz NTWPVORPLAPENN-KRWDZBQOSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001208395651 800974573 /nfs/dbraw/zinc/97/45/73/800974573.db2.gz ADUVWQZUDPHACQ-HLLBOEOZSA-N 0 3 308.466 2.452 20 30 DEEDHN CCOC(=O)[C@H]1CN(CCCc2cccc(C#N)c2)CCS1 ZINC001208854751 801080517 /nfs/dbraw/zinc/08/05/17/801080517.db2.gz TXLHLRRJOMHXFO-MRXNPFEDSA-N 0 3 318.442 2.471 20 30 DEEDHN N#Cc1ccc(CCN2CC3CC2(C(=O)N2CCCC2)C3)cc1 ZINC001208923597 801094289 /nfs/dbraw/zinc/09/42/89/801094289.db2.gz QZPDNDZOFCYLHP-UHFFFAOYSA-N 0 3 309.413 2.188 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001208962823 801103491 /nfs/dbraw/zinc/10/34/91/801103491.db2.gz QGNKUKHMQTZDCP-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@H](NCc2cncc(F)c2)C1 ZINC001209111156 801130190 /nfs/dbraw/zinc/13/01/90/801130190.db2.gz MDUWKONUUNRLHL-KRWDZBQOSA-N 0 3 317.408 2.495 20 30 DEEDHN C=CCCCN1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@H]21 ZINC001209162100 801140493 /nfs/dbraw/zinc/14/04/93/801140493.db2.gz RTHVWCZDWCRPIA-BZUAXINKSA-N 0 3 303.406 2.301 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001209194506 801148429 /nfs/dbraw/zinc/14/84/29/801148429.db2.gz OXUSXOHRRRHIMP-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001209365637 801176227 /nfs/dbraw/zinc/17/62/27/801176227.db2.gz KJYZPQDWWSEROF-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCCCCN1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001209424956 801190325 /nfs/dbraw/zinc/19/03/25/801190325.db2.gz XMMKPBOKONYGLA-UHFFFAOYSA-N 0 3 318.465 2.257 20 30 DEEDHN C=CCCCCCN1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001209424044 801190464 /nfs/dbraw/zinc/19/04/64/801190464.db2.gz IFPVBYKSZPFJIE-UHFFFAOYSA-N 0 3 314.437 2.475 20 30 DEEDHN C=CCCC1(C(=O)N2CCC[C@H](NCc3cncn3C)C2)CC1 ZINC001209465151 801195772 /nfs/dbraw/zinc/19/57/72/801195772.db2.gz NMPUWHONXHLZIT-HNNXBMFYSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001209540121 801209273 /nfs/dbraw/zinc/20/92/73/801209273.db2.gz DUEASLUTSQGKON-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C)[nH]c2C)CC1 ZINC001229363037 801263232 /nfs/dbraw/zinc/26/32/32/801263232.db2.gz GNWTYQTYIUPHPS-UHFFFAOYSA-N 0 3 305.422 2.028 20 30 DEEDHN O=C([C@@H]1CC12CC2)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209808331 801288641 /nfs/dbraw/zinc/28/86/41/801288641.db2.gz KPDXJDCHYCXAKQ-MSOLQXFVSA-N 0 3 308.425 2.419 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001230324616 801386959 /nfs/dbraw/zinc/38/69/59/801386959.db2.gz QJGICWRHMIKNRS-NUEKZKHPSA-N 0 3 321.421 2.091 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2c(C)nsc2C)CC1 ZINC001230384941 801394693 /nfs/dbraw/zinc/39/46/93/801394693.db2.gz YFMPMFIOVPJKAV-UHFFFAOYSA-N 0 3 323.462 2.157 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001210710270 801450325 /nfs/dbraw/zinc/45/03/25/801450325.db2.gz ZSVMJPZQAUXRAX-MLGOLLRUSA-N 0 3 324.371 2.218 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H]1CC12CC2)Cc1cccnc1 ZINC001230859657 801514144 /nfs/dbraw/zinc/51/41/44/801514144.db2.gz JPCJARPZUUUHSC-KRWDZBQOSA-N 0 3 311.429 2.213 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@H]1CN(CCOC)C[C@H]1C)c1ccccc1 ZINC001211228368 801533320 /nfs/dbraw/zinc/53/33/20/801533320.db2.gz WHINGMTVTHYOIL-JFIYKMOQSA-N 0 3 316.445 2.429 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001211374216 801556675 /nfs/dbraw/zinc/55/66/75/801556675.db2.gz DCRGPZASJYATJU-KBAYOESNSA-N 0 3 315.461 2.302 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CC(F)F)[C@H](OC)C1 ZINC001213189730 801581811 /nfs/dbraw/zinc/58/18/11/801581811.db2.gz GXQZRIDQAGWZQV-YNEHKIRRSA-N 0 3 304.381 2.059 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001213269309 801588311 /nfs/dbraw/zinc/58/83/11/801588311.db2.gz KACSLPGWPAMVFN-BZUAXINKSA-N 0 3 312.429 2.134 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213460046 801612219 /nfs/dbraw/zinc/61/22/19/801612219.db2.gz AZEMGEDKMGYLGA-YNEHKIRRSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(OC)o2)[C@H](OC)C1 ZINC001213611670 801629191 /nfs/dbraw/zinc/62/91/91/801629191.db2.gz HRPDQQICSZBXEM-GZBFAFLISA-N 0 3 322.405 2.072 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001231350296 801642023 /nfs/dbraw/zinc/64/20/23/801642023.db2.gz QYLZRKMCYVOQGM-HNNXBMFYSA-N 0 3 319.453 2.016 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001214301367 801701391 /nfs/dbraw/zinc/70/13/91/801701391.db2.gz ADPZTIPREMTCEL-CHWSQXEVSA-N 0 3 319.453 2.005 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001214467855 801720075 /nfs/dbraw/zinc/72/00/75/801720075.db2.gz KLNAMRXEKRLPAK-UKRRQHHQSA-N 0 3 305.447 2.273 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214535478 801726929 /nfs/dbraw/zinc/72/69/29/801726929.db2.gz URTBZISMLOTCJE-JTNHKYCSSA-N 0 3 321.248 2.069 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NCc1ccns1 ZINC001214591325 801736898 /nfs/dbraw/zinc/73/68/98/801736898.db2.gz XVNQRXFRQDHLOO-TZMCWYRMSA-N 0 3 305.447 2.129 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccnc(OC)c2)C1 ZINC001214741649 801755796 /nfs/dbraw/zinc/75/57/96/801755796.db2.gz VTVSNKBUSKTCFZ-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001214745269 801756508 /nfs/dbraw/zinc/75/65/08/801756508.db2.gz ITOUMDQEZNIYLU-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233084494 802024971 /nfs/dbraw/zinc/02/49/71/802024971.db2.gz XKCCFNOMFIRFCL-UHFFFAOYSA-N 0 3 301.434 2.411 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3occc3C)[C@H]2C1 ZINC001217279834 802063749 /nfs/dbraw/zinc/06/37/49/802063749.db2.gz FEQFXJNBEKRGNF-OWCLPIDISA-N 0 3 318.417 2.468 20 30 DEEDHN C#CCCCC(=O)N1CCO[C@@H]2CN(CCCC3CCC3)C[C@@H]21 ZINC001217758689 802112910 /nfs/dbraw/zinc/11/29/10/802112910.db2.gz QPLAPDDMPDRCCE-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001233489393 802130547 /nfs/dbraw/zinc/13/05/47/802130547.db2.gz ICKIEOURTQTPLB-DOMZBBRYSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H](CC)CC(F)F)[C@H]2C1 ZINC001218101502 802143387 /nfs/dbraw/zinc/14/33/87/802143387.db2.gz RTXJXEWWJKYHGU-HZSPNIEDSA-N 0 3 316.392 2.156 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 ZINC001233610995 802164000 /nfs/dbraw/zinc/16/40/00/802164000.db2.gz MKARXSISKPEQCN-OAHLLOKOSA-N 0 3 304.438 2.313 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3cocc3C)[C@H]2C1 ZINC001218430089 802182004 /nfs/dbraw/zinc/18/20/04/802182004.db2.gz NVGFWEQTGKEDGD-BHYGNILZSA-N 0 3 318.417 2.468 20 30 DEEDHN CC[C@H](C#Cc1ccccc1)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218438872 802183110 /nfs/dbraw/zinc/18/31/10/802183110.db2.gz NEJRZCASWVNFDR-MJGOQNOKSA-N 0 3 322.408 2.251 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](C)CC(=C)C)[C@H]2C1 ZINC001218523807 802198628 /nfs/dbraw/zinc/19/86/28/802198628.db2.gz PVLDQSNHMWSIGL-IXDOHACOSA-N 0 3 306.450 2.467 20 30 DEEDHN N#Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H](F)CCN3)cc2s1 ZINC001218910284 802257493 /nfs/dbraw/zinc/25/74/93/802257493.db2.gz HZPGOSJTVBHJEG-KWQFWETISA-N 0 3 304.350 2.197 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H]3CC34CCCC4)[C@H]2C1 ZINC001218904955 802258084 /nfs/dbraw/zinc/25/80/84/802258084.db2.gz NIWUBEZIEHLGIY-IXDOHACOSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001219110798 802283845 /nfs/dbraw/zinc/28/38/45/802283845.db2.gz ZHDOTBOGTHVPLR-SJORKVTESA-N 0 3 302.418 2.208 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCCCC)C[C@@H]1O ZINC001219702367 802369397 /nfs/dbraw/zinc/36/93/97/802369397.db2.gz JVZJVJKUTKJWRC-OLZOCXBDSA-N 0 3 302.846 2.117 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCCc2ccsc2)[C@@H](O)C1 ZINC001219849947 802382560 /nfs/dbraw/zinc/38/25/60/802382560.db2.gz WTPBXNVIWWJCTQ-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C/C=C(/C)C=C)[C@@H](O)C1 ZINC001220172042 802419837 /nfs/dbraw/zinc/41/98/37/802419837.db2.gz JMTZSFCXPTXFHE-KNUIFBHBSA-N 0 3 306.450 2.417 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCCCC)C[C@@H]2O)CCC1 ZINC001220295117 802441200 /nfs/dbraw/zinc/44/12/00/802441200.db2.gz HJGFICYYNHAQPG-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001220331334 802445363 /nfs/dbraw/zinc/44/53/63/802445363.db2.gz REXJWTWWJWBSQO-XYPHTWIQSA-N 0 3 320.408 2.057 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220379645 802450989 /nfs/dbraw/zinc/45/09/89/802450989.db2.gz CGLMMKQEXZCGJF-MCIONIFRSA-N 0 3 320.424 2.409 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](c2ccccc2)C(C)C)[C@@H](O)C1 ZINC001220432563 802460967 /nfs/dbraw/zinc/46/09/67/802460967.db2.gz PTTMKGXPLXAVGW-SQNIBIBYSA-N 0 3 316.445 2.164 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccnc(C)c2)[C@@H](O)C1 ZINC001220583537 802476337 /nfs/dbraw/zinc/47/63/37/802476337.db2.gz ZBKAXLUWSQDDPH-SJORKVTESA-N 0 3 319.449 2.135 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220775848 802496719 /nfs/dbraw/zinc/49/67/19/802496719.db2.gz POPVXIWFGJRQHX-XQQFMLRXSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(C)c2C)[C@@H](O)C1 ZINC001220886071 802507621 /nfs/dbraw/zinc/50/76/21/802507621.db2.gz MIGYBJNCAZWKHL-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN O=C(/C=C/C(=O)c1ccccc1)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397754 802566682 /nfs/dbraw/zinc/56/66/82/802566682.db2.gz MWTGLNAWLGBCOG-ZGKFYVQTSA-N 0 3 320.392 2.256 20 30 DEEDHN C#CCC1(C(=O)N2C[C@H]3CCN(CC[C@H](C)F)C[C@H]32)CCC1 ZINC001221611639 802597378 /nfs/dbraw/zinc/59/73/78/802597378.db2.gz GZIAPXHPDSTYSP-ARFHVFGLSA-N 0 3 306.425 2.461 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCC3)[C@@H]2C1 ZINC001221639229 802600474 /nfs/dbraw/zinc/60/04/74/802600474.db2.gz KPJPKDVXHVYLIF-DJIMGWMZSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCOCC(F)(F)F)[C@@H]2C1 ZINC001221664085 802601593 /nfs/dbraw/zinc/60/15/93/802601593.db2.gz DHWLYJZMJWPKBM-CHWSQXEVSA-N 0 3 320.355 2.064 20 30 DEEDHN C=CCCCC(=O)N1C[C@H]2CCN(CCOC3CCC3)C[C@H]21 ZINC001221783094 802614357 /nfs/dbraw/zinc/61/43/57/802614357.db2.gz XKTHPAIWEYOGMA-NVXWUHKLSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3conc3CC)[C@@H]2C1 ZINC001221797761 802617002 /nfs/dbraw/zinc/61/70/02/802617002.db2.gz FIQQPUINDKSPAJ-CZUORRHYSA-N 0 3 303.406 2.350 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001222072531 802637737 /nfs/dbraw/zinc/63/77/37/802637737.db2.gz SDBXYBMDDZGBSN-BZUAXINKSA-N 0 3 312.429 2.250 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(COC)CCCCC2)CC1 ZINC001223405316 802787418 /nfs/dbraw/zinc/78/74/18/802787418.db2.gz YJWHLXVXUYOEJE-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC001224712798 802896914 /nfs/dbraw/zinc/89/69/14/802896914.db2.gz MTQOCYWIXPTQEM-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001224712802 802896973 /nfs/dbraw/zinc/89/69/73/802896973.db2.gz MTQOCYWIXPTQEM-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC001224739566 802899379 /nfs/dbraw/zinc/89/93/79/802899379.db2.gz PEWBGCBKROGSJK-UHFFFAOYSA-N 0 3 314.404 2.319 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(CC)CCOCC2)CC1 ZINC001225027885 802928817 /nfs/dbraw/zinc/92/88/17/802928817.db2.gz JPJRLYAWYZNQLG-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1n[nH]c(C)n1 ZINC001225307582 802953815 /nfs/dbraw/zinc/95/38/15/802953815.db2.gz LMFQGEHAIAOTCP-MRVWCRGKSA-N 0 3 305.426 2.157 20 30 DEEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)c1cocn1 ZINC001225337312 802956191 /nfs/dbraw/zinc/95/61/91/802956191.db2.gz ROAPVSAIHHWXGV-IAGOWNOFSA-N 0 3 323.396 2.357 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ns1 ZINC001225356012 802957259 /nfs/dbraw/zinc/95/72/59/802957259.db2.gz OREXGMAXYVQDSC-HUUCEWRRSA-N 0 3 323.462 2.171 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)c2cccc(OC)c2)CC1 ZINC001225582328 802986663 /nfs/dbraw/zinc/98/66/63/802986663.db2.gz JUJUYBLYAKOMQU-OAHLLOKOSA-N 0 3 314.429 2.260 20 30 DEEDHN Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)C#CC(C)C ZINC001226095576 803053057 /nfs/dbraw/zinc/05/30/57/803053057.db2.gz MLHRVCXHCWHQHU-HZPDHXFCSA-N 0 3 303.406 2.159 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC001226624572 803133063 /nfs/dbraw/zinc/13/30/63/803133063.db2.gz ACXPJMGETPLEBD-GFCCVEGCSA-N 0 3 321.371 2.248 20 30 DEEDHN COc1ccc(CN2CCC(NC(=O)C#CC(C)C)CC2)cc1 ZINC001227232889 803219239 /nfs/dbraw/zinc/21/92/39/803219239.db2.gz LROWLJJDTDNSNR-UHFFFAOYSA-N 0 3 314.429 2.435 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001227692223 803267992 /nfs/dbraw/zinc/26/79/92/803267992.db2.gz PFUAJSBASMMDHF-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2ccccn2)C1 ZINC001417766565 1167199096 /nfs/dbraw/zinc/19/90/96/1167199096.db2.gz BBSBGHINQYDRJE-OTVXOJSOSA-N 0 3 307.825 2.251 20 30 DEEDHN COc1cccc2c1OCCC[C@@H]2NC(=O)[C@H](N)CCCC#N ZINC001330968451 1149348822 /nfs/dbraw/zinc/34/88/22/1149348822.db2.gz CSYDQKDKLMGHRW-KGLIPLIRSA-N 0 3 317.389 2.046 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001334913286 1150353814 /nfs/dbraw/zinc/35/38/14/1150353814.db2.gz HOPSRPJNTCULKW-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001368851964 1148716934 /nfs/dbraw/zinc/71/69/34/1148716934.db2.gz HWZOZPVYQMNBPR-RYUDHWBXSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)nnc1CC ZINC001420099197 1169162662 /nfs/dbraw/zinc/16/26/62/1169162662.db2.gz OBOIBGOVXQFHPL-LLVKDONJSA-N 0 3 310.829 2.198 20 30 DEEDHN N#CC(C(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)Nc1ccccn1 ZINC001342918884 1150626370 /nfs/dbraw/zinc/62/63/70/1150626370.db2.gz QBUIKOHDSPIETE-NFAWXSAZSA-N 0 3 313.357 2.077 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C2CC2)n(CC)n1 ZINC001327213792 1148399074 /nfs/dbraw/zinc/39/90/74/1148399074.db2.gz WRQUEUMHOOLAEB-UHFFFAOYSA-N 0 3 316.449 2.198 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCc1ccc(-c2ccco2)cc1F ZINC001574971046 1069313716 /nfs/dbraw/zinc/31/37/16/1069313716.db2.gz ALUNQTSUNGCDJT-HNNXBMFYSA-N 0 3 300.333 2.443 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc(F)ccc1N(C)C ZINC001343797395 1150773843 /nfs/dbraw/zinc/77/38/43/1150773843.db2.gz TUAWWBVLNWNQST-SMDDNHRTSA-N 0 3 306.385 2.090 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)NCc1ccc(CC)cc1 ZINC001331772198 1149668963 /nfs/dbraw/zinc/66/89/63/1149668963.db2.gz ODSRCKOUKGHVFT-INIZCTEOSA-N 0 3 304.434 2.028 20 30 DEEDHN C=C[C@@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)C(=O)[O-] ZINC001588694651 983898993 /nfs/dbraw/zinc/89/89/93/983898993.db2.gz DMLNUWATEKCGOD-QGZVFWFLSA-N 0 3 318.417 2.136 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001346557971 1151003724 /nfs/dbraw/zinc/00/37/24/1151003724.db2.gz SIAJFAUPZXEEFT-UAGQMJEPSA-N 0 3 317.433 2.150 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC001328343979 1148777631 /nfs/dbraw/zinc/77/76/31/1148777631.db2.gz QSWPLVPJKONRAS-AWEZNQCLSA-N 0 3 318.465 2.416 20 30 DEEDHN C=CCCCC[C@@H](C)[NH2+]CCNc1ncccc1-c1nnn[n-]1 ZINC001602833882 1069770034 /nfs/dbraw/zinc/77/00/34/1069770034.db2.gz BWODEWGPXCYJTN-CYBMUJFWSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CCCCC[C@@H](C)[NH2+]CCNc1ncccc1-c1nn[n-]n1 ZINC001602833882 1069770042 /nfs/dbraw/zinc/77/00/42/1069770042.db2.gz BWODEWGPXCYJTN-CYBMUJFWSA-N 0 3 315.425 2.398 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC001524044888 1069801585 /nfs/dbraw/zinc/80/15/85/1069801585.db2.gz FUVGLSCMBKSPMU-MRFFXNKRSA-N 0 3 316.357 2.014 20 30 DEEDHN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCCN(C)C1 ZINC001524248860 1069875457 /nfs/dbraw/zinc/87/54/57/1069875457.db2.gz UYNRUYRHNNYHOP-CYBMUJFWSA-N 0 3 315.425 2.141 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCC(=O)N(C)C(C)C ZINC001328644257 1148819443 /nfs/dbraw/zinc/81/94/43/1148819443.db2.gz VYEARGGVKYLNDQ-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1cnccc1C ZINC001328720587 1148828003 /nfs/dbraw/zinc/82/80/03/1148828003.db2.gz XEZVGOALCFODPP-MRXNPFEDSA-N 0 3 317.433 2.129 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)OC ZINC001328797482 1148836415 /nfs/dbraw/zinc/83/64/15/1148836415.db2.gz OFFXUHHEKOMEDW-ZWKOTPCHSA-N 0 3 316.445 2.353 20 30 DEEDHN CC(C)[C@H](CNc1cc(F)ccc1C#N)N1CCN(C)CC1 ZINC001458085601 1058044920 /nfs/dbraw/zinc/04/49/20/1058044920.db2.gz XPFNNSBKDUJVRT-KRWDZBQOSA-N 0 3 304.413 2.381 20 30 DEEDHN CCC#C[C@H](C)N1CCN(CCCOCC(F)(F)F)CC1 ZINC001459356626 1058151478 /nfs/dbraw/zinc/15/14/78/1058151478.db2.gz KCXNFEANPSTADA-AWEZNQCLSA-N 0 3 306.372 2.375 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC001500005952 1058425913 /nfs/dbraw/zinc/42/59/13/1058425913.db2.gz OGFMFMQFQVEVKE-MRXNPFEDSA-N 0 3 314.429 2.448 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C3(CC)CCC3)C2)CC1 ZINC001500018843 1058434731 /nfs/dbraw/zinc/43/47/31/1058434731.db2.gz PWBJUVMFCTYYNP-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCOCCN1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001460795248 1058507546 /nfs/dbraw/zinc/50/75/46/1058507546.db2.gz KXIWPWGHUVVJCZ-HNNXBMFYSA-N 0 3 310.438 2.358 20 30 DEEDHN CCCC(=O)N1CCCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001500154453 1058528932 /nfs/dbraw/zinc/52/89/32/1058528932.db2.gz KCXJDYCKAZBMLG-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)Cc2ccsc2C)C1 ZINC001500263430 1058649380 /nfs/dbraw/zinc/64/93/80/1058649380.db2.gz CKPUQAOJNZRROJ-KRWDZBQOSA-N 0 3 322.474 2.382 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2cccn2C(C)C)C1 ZINC001500289272 1058667801 /nfs/dbraw/zinc/66/78/01/1058667801.db2.gz HARSWLOTYKRQRL-GOSISDBHSA-N 0 3 319.449 2.466 20 30 DEEDHN C#CCCCC(=O)N1CC[C@](C)(CNCc2cc(C)no2)C1 ZINC001500342040 1058710992 /nfs/dbraw/zinc/71/09/92/1058710992.db2.gz VKVCYSBDDYMMPV-QGZVFWFLSA-N 0 3 303.406 2.115 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CCc2nc(C)cs2)CC1 ZINC001500436318 1058780468 /nfs/dbraw/zinc/78/04/68/1058780468.db2.gz GMOBYLCCLHYFCY-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001500451511 1058796684 /nfs/dbraw/zinc/79/66/84/1058796684.db2.gz MRUYASOTLXIULX-IRXDYDNUSA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001500489069 1058844655 /nfs/dbraw/zinc/84/46/55/1058844655.db2.gz NIIXCWJTTHQYQA-AEFFLSMTSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cnn3c2CCCC3)C1 ZINC001500542643 1058910359 /nfs/dbraw/zinc/91/03/59/1058910359.db2.gz INPJWYSANBJWAP-GOSISDBHSA-N 0 3 316.449 2.237 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001501238717 1059400749 /nfs/dbraw/zinc/40/07/49/1059400749.db2.gz ZDGUBCPYRYEGNL-OKZBNKHCSA-N 0 3 320.477 2.099 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cnn(CC)c2C)C1 ZINC001501631654 1059591590 /nfs/dbraw/zinc/59/15/90/1059591590.db2.gz BSASSZUPESAKCX-AWEZNQCLSA-N 0 3 324.856 2.406 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001533809642 1071904099 /nfs/dbraw/zinc/90/40/99/1071904099.db2.gz ITNAWTCBMRQIEC-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)[C@@H](C)COC)C1 ZINC001368575004 1148503018 /nfs/dbraw/zinc/50/30/18/1148503018.db2.gz SNCXLJDNWQTYTK-GHYVTOPFSA-N 0 3 302.846 2.142 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccnn2[C@@H](C)CC)CCC1 ZINC001501958687 1059807880 /nfs/dbraw/zinc/80/78/80/1059807880.db2.gz WLPRFXMTEOQQEQ-AWEZNQCLSA-N 0 3 302.422 2.120 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2ccc(F)cc2Cl)CCC1 ZINC001501996267 1059849931 /nfs/dbraw/zinc/84/99/31/1059849931.db2.gz YTEGZVWQTJFQSR-UHFFFAOYSA-N 0 3 308.784 2.283 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC/C=C/Cl)CCC1 ZINC001502008843 1059860705 /nfs/dbraw/zinc/86/07/05/1059860705.db2.gz RNHCKYZFXRZGEW-CSNMRHKHSA-N 0 3 312.841 2.349 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2CCc3ccccc3O2)CCC1 ZINC001502010194 1059861172 /nfs/dbraw/zinc/86/11/72/1059861172.db2.gz JBGYFZCMBCMBQV-KRWDZBQOSA-N 0 3 312.413 2.032 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(OC(C)C)cc2)CCC1 ZINC001502022919 1059876090 /nfs/dbraw/zinc/87/60/90/1059876090.db2.gz ZYYCEYNSNFLLPH-UHFFFAOYSA-N 0 3 300.402 2.349 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001502132669 1059980134 /nfs/dbraw/zinc/98/01/34/1059980134.db2.gz WWKSJFOGBNRRCT-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](CCC)OCC)C(C)(C)C1 ZINC001502831494 1060342388 /nfs/dbraw/zinc/34/23/88/1060342388.db2.gz AYKLYOJNUVICGV-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCC(=O)N(CC)CC)C(C)(C)C1 ZINC001502837090 1060343664 /nfs/dbraw/zinc/34/36/64/1060343664.db2.gz XFRFPIBBNGMQJU-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C/C(C)=C\CC(=O)N1CCN(C2CN(CCC(=C)C)C2)CC1 ZINC001502843855 1060354419 /nfs/dbraw/zinc/35/44/19/1060354419.db2.gz GYHZHUQUICLJNO-FMQZQXMHSA-N 0 3 317.477 2.303 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)nc1 ZINC001505421212 1060561127 /nfs/dbraw/zinc/56/11/27/1060561127.db2.gz RPUVSMGFMAEOTF-QGZVFWFLSA-N 0 3 317.433 2.129 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC001505463042 1060635721 /nfs/dbraw/zinc/63/57/21/1060635721.db2.gz XPABJZIRSCVMCM-HNNXBMFYSA-N 0 3 316.401 2.180 20 30 DEEDHN COc1cc(CN(C)[C@@H](C)CNC(=O)[C@H](C)C#N)ccc1Cl ZINC001505887260 1061091590 /nfs/dbraw/zinc/09/15/90/1061091590.db2.gz OPEAKDUOBIPWQD-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1ccc2[nH]ccc2c1 ZINC001505991303 1061222924 /nfs/dbraw/zinc/22/29/24/1061222924.db2.gz QACYBHIIRQOKEJ-AWEZNQCLSA-N 0 3 315.417 2.421 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)CCn2nc(C)cc2C)C1 ZINC001505996953 1061236507 /nfs/dbraw/zinc/23/65/07/1061236507.db2.gz RPGYMYNQESOTRS-INIZCTEOSA-N 0 3 318.465 2.293 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001479241242 1061317172 /nfs/dbraw/zinc/31/71/72/1061317172.db2.gz PKHFHIIMOAIIQD-NVXWUHKLSA-N 0 3 312.429 2.394 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNCc1ccn(C)n1 ZINC001479513153 1061484102 /nfs/dbraw/zinc/48/41/02/1061484102.db2.gz SUUWJHRXCSBIKF-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001479679524 1061587419 /nfs/dbraw/zinc/58/74/19/1061587419.db2.gz MDBGRWDXIQUIFH-HOTGVXAUSA-N 0 3 310.482 2.345 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCCCN(C(=O)C(CC)CC)C1 ZINC001479682227 1061593940 /nfs/dbraw/zinc/59/39/40/1061593940.db2.gz HNUPEFUKUSKBIR-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2ccccc2oc1=O ZINC001506050005 1061615263 /nfs/dbraw/zinc/61/52/63/1061615263.db2.gz NEXDYAXTHSRQJK-LBPRGKRZSA-N 0 3 300.358 2.029 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2cccc(N(C)C)c2)[C@H]1C ZINC001479716695 1061633674 /nfs/dbraw/zinc/63/36/74/1061633674.db2.gz PFPLOEVLOBAWOF-QAPCUYQASA-N 0 3 315.461 2.450 20 30 DEEDHN CC(C)(F)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001479752402 1061683517 /nfs/dbraw/zinc/68/35/17/1061683517.db2.gz TWTQBUFZKWCEGU-UHFFFAOYSA-N 0 3 302.393 2.271 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001479761694 1061701768 /nfs/dbraw/zinc/70/17/68/1061701768.db2.gz WKIBFYJQAMFGQU-CQSZACIVSA-N 0 3 305.447 2.254 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCCN(C)Cc1csc(C)c1 ZINC001479767376 1061713927 /nfs/dbraw/zinc/71/39/27/1061713927.db2.gz JPQBJDXVSNNFKZ-INIZCTEOSA-N 0 3 310.463 2.322 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001506199040 1061736921 /nfs/dbraw/zinc/73/69/21/1061736921.db2.gz QOWRWHQHNAXAOE-KRWDZBQOSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)c1c(C)noc1C ZINC001479802204 1061803116 /nfs/dbraw/zinc/80/31/16/1061803116.db2.gz MLPYHCLMSQELCK-HNNXBMFYSA-N 0 3 305.422 2.246 20 30 DEEDHN CC#CCN(CCCNC(=O)CCc1cncc(C)c1)C1CC1 ZINC001479872945 1061965373 /nfs/dbraw/zinc/96/53/73/1061965373.db2.gz QPVCXRXAKFEVCM-UHFFFAOYSA-N 0 3 313.445 2.317 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC001479989101 1062152519 /nfs/dbraw/zinc/15/25/19/1062152519.db2.gz XSUQTKRXGFBAMP-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC001506601999 1062180123 /nfs/dbraw/zinc/18/01/23/1062180123.db2.gz SZRWVPQUIQMRST-STQMWFEESA-N 0 3 319.836 2.479 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001506619080 1062197191 /nfs/dbraw/zinc/19/71/91/1062197191.db2.gz OCPRGTNGNSHIPO-ZBFHGGJFSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC001506630664 1062210743 /nfs/dbraw/zinc/21/07/43/1062210743.db2.gz GBBWQYLMQAZQNV-SYJJWHGVSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC001506678665 1062271005 /nfs/dbraw/zinc/27/10/05/1062271005.db2.gz KTVCCRZEOSHSSF-CQSZACIVSA-N 0 3 320.408 2.409 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001480172792 1062424143 /nfs/dbraw/zinc/42/41/43/1062424143.db2.gz LCNQRSGUHAGEOA-KKUMJFAQSA-N 0 3 324.856 2.440 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001480218505 1062477022 /nfs/dbraw/zinc/47/70/22/1062477022.db2.gz LSVVFYSHXLENMC-IYBDPMFKSA-N 0 3 314.433 2.106 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001480217108 1062477154 /nfs/dbraw/zinc/47/71/54/1062477154.db2.gz VYMLCVZNNHUHIE-BETUJISGSA-N 0 3 317.437 2.021 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001506902161 1062492514 /nfs/dbraw/zinc/49/25/14/1062492514.db2.gz RMGBIAMWCQUMDV-MQMHXKEQSA-N 0 3 318.808 2.185 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](CNC(=O)C#CC3CC3)C2)c1 ZINC001480252569 1062529317 /nfs/dbraw/zinc/52/93/17/1062529317.db2.gz NPZPDGCRMPHTFX-LJQANCHMSA-N 0 3 321.424 2.300 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cn(C)nc1CC ZINC001506926443 1062535761 /nfs/dbraw/zinc/53/57/61/1062535761.db2.gz HLTJAXXWLGQISI-LBPRGKRZSA-N 0 3 312.845 2.223 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001480258238 1062541023 /nfs/dbraw/zinc/54/10/23/1062541023.db2.gz RFKMOKCGVTYCIV-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(c2ccccn2)CC1 ZINC001480317397 1062636019 /nfs/dbraw/zinc/63/60/19/1062636019.db2.gz UYMTVIKEBYYTER-INIZCTEOSA-N 0 3 311.429 2.107 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C(C)(C)c1cccnc1 ZINC001480319361 1062645218 /nfs/dbraw/zinc/64/52/18/1062645218.db2.gz JUVUVSYWGSAUCM-KRWDZBQOSA-N 0 3 313.445 2.353 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001480339758 1062682033 /nfs/dbraw/zinc/68/20/33/1062682033.db2.gz XWMNLWVCYVCGTM-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)C(C)(C)CCC ZINC001480359902 1062712881 /nfs/dbraw/zinc/71/28/81/1062712881.db2.gz ROYVZAYEFFOBGV-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCC2CC2)C1 ZINC001480383340 1062763339 /nfs/dbraw/zinc/76/33/39/1062763339.db2.gz OQDJPPMUUNHOLD-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccc1O)NCC#Cc1ccccc1 ZINC001480426677 1062848187 /nfs/dbraw/zinc/84/81/87/1062848187.db2.gz QHLOUPQUUAJWLH-HNNXBMFYSA-N 0 3 308.381 2.152 20 30 DEEDHN C=CCCC(=O)NC[C@H](CO)N[C@H](C)c1cc(C)ccc1C ZINC001507177173 1062955520 /nfs/dbraw/zinc/95/55/20/1062955520.db2.gz FNQJMVKKUVMXFI-HZPDHXFCSA-N 0 3 304.434 2.397 20 30 DEEDHN C[C@@H](CNC(=O)C1(CCF)CC1)NCc1ccc(C#N)s1 ZINC001480508024 1062962895 /nfs/dbraw/zinc/96/28/95/1062962895.db2.gz BOGNVFXTCUWIKS-NSHDSACASA-N 0 3 309.410 2.354 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NCc2ccc(Cl)cc2)C1 ZINC001507230783 1062984961 /nfs/dbraw/zinc/98/49/61/1062984961.db2.gz BAZQLJOUJYXTGW-HNNXBMFYSA-N 0 3 322.836 2.263 20 30 DEEDHN C[C@@H]1[C@H](NCc2cncc(F)c2)CCN1C(=O)C#CC(C)(C)C ZINC001507278487 1063025439 /nfs/dbraw/zinc/02/54/39/1063025439.db2.gz OUEGXVLXMSUILG-CZUORRHYSA-N 0 3 317.408 2.349 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H](NCc2ccc(Cl)nc2)C[C@@H]1C ZINC001507311806 1063075223 /nfs/dbraw/zinc/07/52/23/1063075223.db2.gz ADTCGJXFJGQKHY-DZGCQCFKSA-N 0 3 319.836 2.473 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(N(C)C)cc2F)C1 ZINC001507313064 1063078337 /nfs/dbraw/zinc/07/83/37/1063078337.db2.gz KUWBDQRIVASRDO-KGLIPLIRSA-N 0 3 317.408 2.108 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001507326248 1063097388 /nfs/dbraw/zinc/09/73/88/1063097388.db2.gz KSQQXAVDCHBNQB-CABCVRRESA-N 0 3 316.449 2.460 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001507365162 1063159531 /nfs/dbraw/zinc/15/95/31/1063159531.db2.gz CQZIQEDMVSDYOC-RDJZCZTQSA-N 0 3 302.418 2.358 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001480665003 1063160187 /nfs/dbraw/zinc/16/01/87/1063160187.db2.gz FYHLYVWLQMKIPQ-HNNXBMFYSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NCC(=O)NC(C)(C)C)C(C)(C)C1 ZINC001507434040 1063284764 /nfs/dbraw/zinc/28/47/64/1063284764.db2.gz PECMGENNTMWLER-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001507443333 1063293596 /nfs/dbraw/zinc/29/35/96/1063293596.db2.gz OMOAJLNAMGEVBC-YJBOKZPZSA-N 0 3 306.450 2.065 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1Cc1ccc(F)cn1 ZINC001480817166 1063386454 /nfs/dbraw/zinc/38/64/54/1063386454.db2.gz BSEAJVNSGHICOA-CJNGLKHVSA-N 0 3 318.396 2.241 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001507742565 1063403189 /nfs/dbraw/zinc/40/31/89/1063403189.db2.gz OYTCJVJBLHQNNC-RWBZWWBESA-N 0 3 308.466 2.140 20 30 DEEDHN CO[C@@H](CN(C)CCN(C(=O)C#CC1CC1)C(C)C)C1CCC1 ZINC001507786121 1063419634 /nfs/dbraw/zinc/41/96/34/1063419634.db2.gz CNSPTTJYZAQGOH-SFHVURJKSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cnn2cc(C)cnc12)C(C)C ZINC001507840541 1063434044 /nfs/dbraw/zinc/43/40/44/1063434044.db2.gz JYWOPFLYZQAWOT-UHFFFAOYSA-N 0 3 315.421 2.006 20 30 DEEDHN C#CCCN(CCNC(=O)[C@H]1CCCC2(CC2)C1)CCOC ZINC001508051861 1063519780 /nfs/dbraw/zinc/51/97/80/1063519780.db2.gz UHEZEJUHMMBFFO-INIZCTEOSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cc(NC(C)=O)ccc1F ZINC001493063402 1063526681 /nfs/dbraw/zinc/52/66/81/1063526681.db2.gz LFLFDOIWHVMFRR-UHFFFAOYSA-N 0 3 307.369 2.022 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001508063401 1063529967 /nfs/dbraw/zinc/52/99/67/1063529967.db2.gz HNOOCPFFUBFHSQ-NVXWUHKLSA-N 0 3 320.477 2.289 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN1CCCc1ccsc1 ZINC001493085936 1063547813 /nfs/dbraw/zinc/54/78/13/1063547813.db2.gz JJCFHNGKLBWXHC-UKRRQHHQSA-N 0 3 305.447 2.421 20 30 DEEDHN CC(C)COCCN1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001493096519 1063564828 /nfs/dbraw/zinc/56/48/28/1063564828.db2.gz HTZJVWYFJAROLK-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC001508128941 1063572242 /nfs/dbraw/zinc/57/22/42/1063572242.db2.gz RQBJQYGZHURQPW-HPUBIQBYSA-N 0 3 316.449 2.466 20 30 DEEDHN C#Cc1ccc(C(=O)NCc2ccc(CNCC=C)cc2F)cn1 ZINC001508241795 1063626520 /nfs/dbraw/zinc/62/65/20/1063626520.db2.gz LQQJOPRUSJYAIR-UHFFFAOYSA-N 0 3 323.371 2.408 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC001493331233 1063722212 /nfs/dbraw/zinc/72/22/12/1063722212.db2.gz DEGXFGZHDRLSOA-OAHLLOKOSA-N 0 3 320.408 2.445 20 30 DEEDHN Cc1ccccc1OCCN(CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001493358048 1063742185 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/nfs/dbraw/zinc/35/51/58/1066355158.db2.gz XKKDNUYMBBDWRY-OAHLLOKOSA-N 0 3 316.445 2.342 20 30 DEEDHN CCc1ccc([C@@H](C)C(=O)N[C@H](C)CNCC#CCOC)cc1 ZINC001497943912 1066424707 /nfs/dbraw/zinc/42/47/07/1066424707.db2.gz VRADCXRMFYOLJJ-HZPDHXFCSA-N 0 3 316.445 2.097 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCNC(=O)[C@H]1CCCCN1CC ZINC001575917861 1066456862 /nfs/dbraw/zinc/45/68/62/1066456862.db2.gz DLTPPTYQOSYDBH-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001498018797 1066461129 /nfs/dbraw/zinc/46/11/29/1066461129.db2.gz ATXOHYZYBDLMKN-YOEHRIQHSA-N 0 3 320.408 2.087 20 30 DEEDHN Cc1cncc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001498025776 1066466202 /nfs/dbraw/zinc/46/62/02/1066466202.db2.gz NSAJKLKSPDGZOG-INIZCTEOSA-N 0 3 307.397 2.150 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N1CCC(C)CC1 ZINC001498100051 1066504433 /nfs/dbraw/zinc/50/44/33/1066504433.db2.gz DDJIWTNQKOFHHU-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CNCC(=O)N[C@H](C)CCC)CC1 ZINC001498109374 1066508347 /nfs/dbraw/zinc/50/83/47/1066508347.db2.gz LYMCRDDCGCQUDZ-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001498360041 1066654585 /nfs/dbraw/zinc/65/45/85/1066654585.db2.gz PNLCRNHDQROMJX-CJNGLKHVSA-N 0 3 305.397 2.489 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)C1=COCCC1 ZINC001498521639 1066759765 /nfs/dbraw/zinc/75/97/65/1066759765.db2.gz VUQHYUBVGMTDDB-UHFFFAOYSA-N 0 3 313.401 2.191 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1cnc(C)cn1 ZINC001498606530 1066799337 /nfs/dbraw/zinc/79/93/37/1066799337.db2.gz LLLCWXXYDANBPN-QGZVFWFLSA-N 0 3 304.438 2.325 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1nc2cnccc2s1 ZINC001634647183 1078435309 /nfs/dbraw/zinc/43/53/09/1078435309.db2.gz YETKKFCUWKGWFV-UHFFFAOYSA-N 0 3 304.419 2.271 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC001498998054 1067010163 /nfs/dbraw/zinc/01/01/63/1067010163.db2.gz NBLAIEJVSLJMGE-OAHLLOKOSA-N 0 3 304.438 2.279 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1ccc(OC)cc1 ZINC001499114843 1067105179 /nfs/dbraw/zinc/10/51/79/1067105179.db2.gz WDQUQMLEGOUATG-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001499139259 1067114241 /nfs/dbraw/zinc/11/42/41/1067114241.db2.gz YTAMLNKQBTZLGY-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN COc1ccc2c(c1)CCCCN2C(=O)[C@H](N)CCCC#N ZINC001579243736 1067271594 /nfs/dbraw/zinc/27/15/94/1067271594.db2.gz MNTDDIDIJBKROK-OAHLLOKOSA-N 0 3 301.390 2.386 20 30 DEEDHN Cc1cc(C)c2c(c1)CCN(C(=O)C1CC3(C1)CNC[C@H]3C#N)C2 ZINC001579577613 1067375231 /nfs/dbraw/zinc/37/52/31/1067375231.db2.gz SWKXUFICURGVHZ-OHTSDLOESA-N 0 3 323.440 2.328 20 30 DEEDHN Cc1ccccc1[C@@]1(F)CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC001579795092 1067425144 /nfs/dbraw/zinc/42/51/44/1067425144.db2.gz IXMVPDMNYNSKMC-DOTOQJQBSA-N 0 3 303.381 2.413 20 30 DEEDHN CCO[C@H](CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001369225289 1148874003 /nfs/dbraw/zinc/87/40/03/1148874003.db2.gz ASVPWDQNWGVHNC-SWLSCSKDSA-N 0 3 323.462 2.371 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC001580050504 1067481766 /nfs/dbraw/zinc/48/17/66/1067481766.db2.gz CXXJMGSEFBACQC-HUUCEWRRSA-N 0 3 307.438 2.396 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccn(C2CCSCC2)n1 ZINC001580051041 1067482838 /nfs/dbraw/zinc/48/28/38/1067482838.db2.gz XNPYXIWFLSZSMM-CYBMUJFWSA-N 0 3 321.450 2.301 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001580050710 1067483255 /nfs/dbraw/zinc/48/32/55/1067483255.db2.gz IUCCTTAZZMHCHP-NSHDSACASA-N 0 3 320.324 2.034 20 30 DEEDHN Cc1cc(CNC[C@H](NC(=O)C#CC(C)(C)C)C2CC2)sn1 ZINC001483560288 1078597653 /nfs/dbraw/zinc/59/76/53/1078597653.db2.gz RORGUSQAYCLIJX-HNNXBMFYSA-N 0 3 319.474 2.485 20 30 DEEDHN CC(C)[C@@H](CN(C)C)NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001639635515 1078622594 /nfs/dbraw/zinc/62/25/94/1078622594.db2.gz OYIDRWSRSOHNRL-JOZWUWCOSA-N 0 3 306.381 2.110 20 30 DEEDHN CC#CCN(C)C[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC001570535558 1067992204 /nfs/dbraw/zinc/99/22/04/1067992204.db2.gz AXLKRLQARYXFQP-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001640020116 1078637781 /nfs/dbraw/zinc/63/77/81/1078637781.db2.gz NVTHPAPNDQMPKW-LSDHHAIUSA-N 0 3 324.465 2.321 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC(=O)Nc1ccccc1 ZINC001570624037 1068041734 /nfs/dbraw/zinc/04/17/34/1068041734.db2.gz IDRQTEHETWPFPZ-KBPBESRZSA-N 0 3 317.433 2.320 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(CF)cc1 ZINC001570711402 1068086145 /nfs/dbraw/zinc/08/61/45/1068086145.db2.gz ZSWISMPSXLNGKN-LSDHHAIUSA-N 0 3 320.408 2.131 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(NC(C)=O)ccc1F ZINC001570753457 1068108790 /nfs/dbraw/zinc/10/87/90/1068108790.db2.gz KBBBQVIXQZVGDM-LLVKDONJSA-N 0 3 307.369 2.020 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCc1cnc(C)cn1 ZINC001571297522 1068212190 /nfs/dbraw/zinc/21/21/90/1068212190.db2.gz VJKDZNTURFHDNG-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)C[C@@H](C)NCC#CC)cc1 ZINC001571419060 1068286233 /nfs/dbraw/zinc/28/62/33/1068286233.db2.gz KDULDQKJZFMLFV-MRXNPFEDSA-N 0 3 314.429 2.254 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)N[C@H](C)c2ccc(F)cc2)C1 ZINC001571439603 1068292357 /nfs/dbraw/zinc/29/23/57/1068292357.db2.gz KCUXSXFUMDWBNI-CZUORRHYSA-N 0 3 320.408 2.310 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NCc2cncn2C)C[C@@H]1C ZINC001571478712 1068332859 /nfs/dbraw/zinc/33/28/59/1068332859.db2.gz GPEHOHRUQJMFDV-HOCLYGCPSA-N 0 3 316.449 2.268 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)CC(C2CC2)C2CC2)C1 ZINC001571492337 1068348925 /nfs/dbraw/zinc/34/89/25/1068348925.db2.gz CFZVQNUMOIAJBV-YOEHRIQHSA-N 0 3 318.461 2.042 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(COC)cc2)C1 ZINC001571492650 1068350073 /nfs/dbraw/zinc/35/00/73/1068350073.db2.gz HGOQGKNRFGVJFS-PBHICJAKSA-N 0 3 300.402 2.049 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2ccsc2)C[C@H]1C ZINC001571496063 1068353121 /nfs/dbraw/zinc/35/31/21/1068353121.db2.gz YYBRDGJTTSKYCA-HIFRSBDPSA-N 0 3 308.447 2.420 20 30 DEEDHN C=CCCC(=O)N[C@@H](CNC(=O)CN1CCC[C@@H]1C)C(C)(C)C ZINC001511770513 1068380974 /nfs/dbraw/zinc/38/09/74/1068380974.db2.gz XXBPJJRVQUQKTD-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CNC(=O)CCC(C)C)[C@H]1C ZINC001571522482 1068389904 /nfs/dbraw/zinc/38/99/04/1068389904.db2.gz GMFYFAGVQSGBCY-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCC(=O)N(CC)CC)CC1 ZINC001496150915 1078710775 /nfs/dbraw/zinc/71/07/75/1078710775.db2.gz MRSOEDKYDUTCHI-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H]2CCCN2CC=C)cc1 ZINC001267266120 1078711689 /nfs/dbraw/zinc/71/16/89/1078711689.db2.gz AJRHMLCFSPMFGL-KRWDZBQOSA-N 0 3 312.413 2.469 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001267274874 1078720783 /nfs/dbraw/zinc/72/07/83/1078720783.db2.gz AOABPZVLHBVRBP-HNNXBMFYSA-N 0 3 305.422 2.028 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001512127856 1068479525 /nfs/dbraw/zinc/47/95/25/1068479525.db2.gz UHHSXPOHDLCETJ-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCn2ccc3ccccc32)C1 ZINC001267305212 1078751262 /nfs/dbraw/zinc/75/12/62/1078751262.db2.gz ISWACGLHAWSQNJ-QGZVFWFLSA-N 0 3 323.440 2.493 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001483658871 1078759472 /nfs/dbraw/zinc/75/94/72/1078759472.db2.gz MJEILABSMSGDAS-HNNXBMFYSA-N 0 3 304.438 2.083 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cn(C)nc1CC ZINC001483660236 1078759930 /nfs/dbraw/zinc/75/99/30/1078759930.db2.gz QVAUAOOPGOKFOC-ZIAGYGMSSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ncnc2sccc21)C1CC1 ZINC001267325920 1078766562 /nfs/dbraw/zinc/76/65/62/1078766562.db2.gz OJNYOLJQPBPDGU-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001572406883 1068756904 /nfs/dbraw/zinc/75/69/04/1068756904.db2.gz PSBONZUCYYQFPF-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC001267357979 1078790645 /nfs/dbraw/zinc/79/06/45/1078790645.db2.gz VTJZONDBFHSDJP-AEFFLSMTSA-N 0 3 314.429 2.274 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1csc2nccn12 ZINC001483703527 1078822677 /nfs/dbraw/zinc/82/26/77/1078822677.db2.gz XMYYUKYTYHCUDU-ZDUSSCGKSA-N 0 3 318.446 2.095 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)C1(C)CCC1 ZINC001267413637 1078833636 /nfs/dbraw/zinc/83/36/36/1078833636.db2.gz ZUPMTFDDBVYTIQ-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272386268 1078845002 /nfs/dbraw/zinc/84/50/02/1078845002.db2.gz LDTCJORZTUMRAH-SFHVURJKSA-N 0 3 316.401 2.241 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(C)n2)CCOCC1 ZINC001368626813 1148536596 /nfs/dbraw/zinc/53/65/96/1148536596.db2.gz IAAJPOZWKIOZGA-UHFFFAOYSA-N 0 3 323.824 2.011 20 30 DEEDHN C#CCOc1ccc(NC(=O)NC[C@@H]2CCCCN2C)cc1 ZINC001520222187 1069108990 /nfs/dbraw/zinc/10/89/90/1069108990.db2.gz FUGMVAWFJWTCEL-HNNXBMFYSA-N 0 3 301.390 2.304 20 30 DEEDHN COCC#CCNCCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC001267438519 1078852648 /nfs/dbraw/zinc/85/26/48/1078852648.db2.gz MWUFFQVFWRHQRL-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001574857482 1069278840 /nfs/dbraw/zinc/27/88/40/1069278840.db2.gz VURAQCBMISVPOJ-OAHLLOKOSA-N 0 3 318.808 2.018 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1c(C)nc2sc(C)cn21 ZINC001574908098 1069295327 /nfs/dbraw/zinc/29/53/27/1069295327.db2.gz CYRBHOSTTOCSJS-LBPRGKRZSA-N 0 3 306.435 2.312 20 30 DEEDHN CCCCCCCN1CC[C@@]2(C1)CN([C@@H](C)C(C)=O)C(=O)CO2 ZINC001272475895 1078908032 /nfs/dbraw/zinc/90/80/32/1078908032.db2.gz FOZOTDQOLAMTCR-MAUKXSAKSA-N 0 3 324.465 2.238 20 30 DEEDHN C#CCCCC(=O)N1CCC([C@@H](C)NCc2cnns2)CC1 ZINC001267486019 1078909407 /nfs/dbraw/zinc/90/94/07/1078909407.db2.gz VQHBRZPOZYSQHZ-CYBMUJFWSA-N 0 3 320.462 2.058 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)[C@H](OC)C1CC1)c1ccccc1 ZINC001267521275 1078951053 /nfs/dbraw/zinc/95/10/53/1078951053.db2.gz RKPVPGVDNZYREL-IAGOWNOFSA-N 0 3 302.418 2.435 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001267545477 1078975822 /nfs/dbraw/zinc/97/58/22/1078975822.db2.gz TZAUEQCINCAYEX-GVDBMIGSSA-N 0 3 320.477 2.147 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)c2csc(C#N)c2)CC1 ZINC001645818194 1079009548 /nfs/dbraw/zinc/00/95/48/1079009548.db2.gz VOXXARLZMJZLFA-UHFFFAOYSA-N 0 3 321.446 2.239 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1cccnc1 ZINC001272619936 1079016041 /nfs/dbraw/zinc/01/60/41/1079016041.db2.gz KLIGTCQBUJCUJR-LLVKDONJSA-N 0 3 312.211 2.088 20 30 DEEDHN CC(C)(NC(=O)c1cc2n(n1)CCC[C@H]2N)c1cccc(C#N)c1 ZINC001649026783 1079046004 /nfs/dbraw/zinc/04/60/04/1079046004.db2.gz BYJFWHUXAFGJAC-CQSZACIVSA-N 0 3 323.400 2.213 20 30 DEEDHN COCC#CCNC1(CNC(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001483772836 1079104060 /nfs/dbraw/zinc/10/40/60/1079104060.db2.gz KJSWURGNXYWNOC-UHFFFAOYSA-N 0 3 318.461 2.091 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC001483784635 1079119142 /nfs/dbraw/zinc/11/91/42/1079119142.db2.gz ZYQDLVVKXHHGBI-HOTGVXAUSA-N 0 3 306.450 2.089 20 30 DEEDHN C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001329328011 1148884571 /nfs/dbraw/zinc/88/45/71/1148884571.db2.gz MDYPPHWWNGWZOC-UHFFFAOYSA-N 0 3 320.437 2.145 20 30 DEEDHN COCC#CCN1CC[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001483847821 1079148516 /nfs/dbraw/zinc/14/85/16/1079148516.db2.gz KNVLCUKEHZUIGL-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)C1 ZINC001481123361 1079222467 /nfs/dbraw/zinc/22/24/67/1079222467.db2.gz QHHJDXVGWJDPMF-KRWDZBQOSA-N 0 3 306.409 2.454 20 30 DEEDHN C#CCN(C(=O)c1cnn(CC)c1)C1CCN(CC(=C)C)CC1 ZINC001483981922 1079224468 /nfs/dbraw/zinc/22/44/68/1079224468.db2.gz BRIWOLCWGHLXLY-UHFFFAOYSA-N 0 3 314.433 2.019 20 30 DEEDHN C=CCCC(=O)N[C@H](CNCc1ccnn1C)C1CCCC1 ZINC001483996817 1079235179 /nfs/dbraw/zinc/23/51/79/1079235179.db2.gz PQHLLQLKSHPOBZ-MRXNPFEDSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cncn1C)C1CCCC1 ZINC001484005894 1079235683 /nfs/dbraw/zinc/23/56/83/1079235683.db2.gz UKOVSXAASPJMRW-INIZCTEOSA-N 0 3 318.465 2.397 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001481141756 1079249252 /nfs/dbraw/zinc/24/92/52/1079249252.db2.gz GEFJUFMLYDYVDQ-GOSISDBHSA-N 0 3 314.429 2.150 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C[C@H]1OCc2ccccc21 ZINC001481153006 1079262051 /nfs/dbraw/zinc/26/20/51/1079262051.db2.gz OLZGJMJQYNYRIS-GOSISDBHSA-N 0 3 314.429 2.500 20 30 DEEDHN CC[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccn1 ZINC001646530122 1074472213 /nfs/dbraw/zinc/47/22/13/1074472213.db2.gz ZSRWJEMEVWWACX-CVEARBPZSA-N 0 3 311.385 2.434 20 30 DEEDHN Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001646678177 1074546186 /nfs/dbraw/zinc/54/61/86/1074546186.db2.gz ZSXDXDKSESYGRK-ZIAGYGMSSA-N 0 3 316.453 2.000 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC001484073027 1079286203 /nfs/dbraw/zinc/28/62/03/1079286203.db2.gz GXUZWDBWUNQUKY-SJLPKXTDSA-N 0 3 318.392 2.117 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)n2cccc2)CC1 ZINC001484146060 1079323530 /nfs/dbraw/zinc/32/35/30/1079323530.db2.gz RDOHYGKVIWEEQB-INIZCTEOSA-N 0 3 301.434 2.291 20 30 DEEDHN CS[C@@H]1CC[C@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC001647094662 1074791038 /nfs/dbraw/zinc/79/10/38/1074791038.db2.gz WPEZKNJMEFRUBI-JKSUJKDBSA-N 0 3 317.458 2.390 20 30 DEEDHN CC1(C#N)CCN(C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001647450245 1074930864 /nfs/dbraw/zinc/93/08/64/1074930864.db2.gz WIMCWMROQHYIAG-SJORKVTESA-N 0 3 302.418 2.487 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC001556466477 1075031998 /nfs/dbraw/zinc/03/19/98/1075031998.db2.gz ZXPZJSZZBBRBRK-UHFFFAOYSA-N 0 3 305.378 2.483 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1CN(CC)CCC1(F)F)OCC ZINC001484196623 1079354925 /nfs/dbraw/zinc/35/49/25/1079354925.db2.gz VCMRZYFEUVAYLF-ZIAGYGMSSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCN(CCn2cccn2)C1 ZINC001567920286 1075108623 /nfs/dbraw/zinc/10/86/23/1075108623.db2.gz AUKICDJFFHKYSI-RDJZCZTQSA-N 0 3 304.438 2.018 20 30 DEEDHN CCOCCCN(Cc1ccc(C#N)o1)C[C@H](C)C(=O)OC ZINC001559545760 1075125946 /nfs/dbraw/zinc/12/59/46/1075125946.db2.gz GBWZNJGFNLUWRK-ZDUSSCGKSA-N 0 3 308.378 2.189 20 30 DEEDHN CC[C@H](CNC(=O)C(C)(C)F)NCC#Cc1ccc(F)cc1 ZINC001567947680 1075136708 /nfs/dbraw/zinc/13/67/08/1075136708.db2.gz PVRXNFJLFPFBKV-OAHLLOKOSA-N 0 3 308.372 2.410 20 30 DEEDHN C#CCN1CCC[C@H](NCc2cc(C(=O)OC)ccc2Cl)C1 ZINC001561006652 1075149221 /nfs/dbraw/zinc/14/92/21/1075149221.db2.gz WXEGFIAOKPRMLE-HNNXBMFYSA-N 0 3 320.820 2.314 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2sccc2CC)C1 ZINC001484252705 1079369666 /nfs/dbraw/zinc/36/96/66/1079369666.db2.gz OYMVBSJAKYTOFT-INIZCTEOSA-N 0 3 308.447 2.053 20 30 DEEDHN CC(C)C#CC(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001267679941 1079369799 /nfs/dbraw/zinc/36/97/99/1079369799.db2.gz DFADVGVTOGKGPP-UHFFFAOYSA-N 0 3 304.459 2.388 20 30 DEEDHN Cc1ccc(C(=O)N(C)CCNCc2cccc(C#N)c2)n1C ZINC001481206147 1079370324 /nfs/dbraw/zinc/37/03/24/1079370324.db2.gz QNYBKKGODSHWOP-UHFFFAOYSA-N 0 3 310.401 2.067 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@H](C)c1ccccc1F ZINC001566500924 1075263148 /nfs/dbraw/zinc/26/31/48/1075263148.db2.gz RGTLRXVULIYFGT-OAHLLOKOSA-N 0 3 320.408 2.017 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnn(C(C)(C)C)c1)C1CC1 ZINC001566590299 1075291294 /nfs/dbraw/zinc/29/12/94/1075291294.db2.gz NGZHMXBOTQFAJS-UHFFFAOYSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc2cnccc21)C1CC1 ZINC001566602582 1075294551 /nfs/dbraw/zinc/29/45/51/1075294551.db2.gz GWSCAPUPIRJYFT-UHFFFAOYSA-N 0 3 307.397 2.452 20 30 DEEDHN CC#CCN(CCCNC(=O)COc1cccc(C)c1)C1CC1 ZINC001566603165 1075295321 /nfs/dbraw/zinc/29/53/21/1075295321.db2.gz YRODUAGAGJVCIU-UHFFFAOYSA-N 0 3 314.429 2.368 20 30 DEEDHN CC/C=C/CCN1CCN(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001566649563 1075304705 /nfs/dbraw/zinc/30/47/05/1075304705.db2.gz YXDAHUOYDOGKRU-VOTSOKGWSA-N 0 3 319.493 2.126 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1cncs1 ZINC001566783575 1075343987 /nfs/dbraw/zinc/34/39/87/1075343987.db2.gz KLHLFYMSFFKWNZ-SHTZXODSSA-N 0 3 311.410 2.045 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001566835565 1075357486 /nfs/dbraw/zinc/35/74/86/1075357486.db2.gz CSNQXVJINRDPRQ-GASCZTMLSA-N 0 3 315.417 2.021 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001566852026 1075362051 /nfs/dbraw/zinc/36/20/51/1075362051.db2.gz IQKUJSAWYBRQFC-VFFTVRQLSA-N 0 3 305.426 2.013 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1c(C)noc1C ZINC001566930528 1075391229 /nfs/dbraw/zinc/39/12/29/1075391229.db2.gz ZFKUPSWNXQISIB-HNNXBMFYSA-N 0 3 305.422 2.381 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CCOCC2)C1 ZINC001566964560 1075401955 /nfs/dbraw/zinc/40/19/55/1075401955.db2.gz ABQKOHIBUFFMSK-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCc2scnc2C)C1 ZINC001566964678 1075402031 /nfs/dbraw/zinc/40/20/31/1075402031.db2.gz BASCPNFAHAMJJW-DZGCQCFKSA-N 0 3 319.474 2.234 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2ccc(CC)cn2)C1 ZINC001566965631 1075402120 /nfs/dbraw/zinc/40/21/20/1075402120.db2.gz LAPRCYLTJLTRMX-NVXWUHKLSA-N 0 3 313.445 2.036 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)CCOc1ccc(C)cc1C ZINC001567022173 1075418389 /nfs/dbraw/zinc/41/83/89/1075418389.db2.gz QTNSWMBBOGXKHY-INIZCTEOSA-N 0 3 302.418 2.190 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCOc2cccc(F)c2)C1 ZINC001567193145 1075459269 /nfs/dbraw/zinc/45/92/69/1075459269.db2.gz OBLSLIVCFIOEPS-INIZCTEOSA-N 0 3 318.392 2.151 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2COC)C1 ZINC001567196254 1075460451 /nfs/dbraw/zinc/46/04/51/1075460451.db2.gz YKHOEBBKZHPCLX-KRWDZBQOSA-N 0 3 314.429 2.393 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2nc(C)n3ccccc23)C1 ZINC001567195881 1075460772 /nfs/dbraw/zinc/46/07/72/1075460772.db2.gz VGKHNAAWGCLTHB-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)NC(=O)CN(C)CCC)CC1 ZINC001581539001 1076078991 /nfs/dbraw/zinc/07/89/91/1076078991.db2.gz BPUMUCLKJDZHBV-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400661 1076446689 /nfs/dbraw/zinc/44/66/89/1076446689.db2.gz DANQSNAHRJYQMB-RCBQFDQVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400661 1076446690 /nfs/dbraw/zinc/44/66/90/1076446690.db2.gz DANQSNAHRJYQMB-RCBQFDQVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001609051601 1077748453 /nfs/dbraw/zinc/74/84/53/1077748453.db2.gz JRUPWLLEWYVNSA-UHFFFAOYSA-N 0 3 323.404 2.191 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001609051601 1077748457 /nfs/dbraw/zinc/74/84/57/1077748457.db2.gz JRUPWLLEWYVNSA-UHFFFAOYSA-N 0 3 323.404 2.191 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001609050996 1077748778 /nfs/dbraw/zinc/74/87/78/1077748778.db2.gz KSZAKNDGMNJAIW-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=C(C)CC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001609050996 1077748784 /nfs/dbraw/zinc/74/87/84/1077748784.db2.gz KSZAKNDGMNJAIW-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001609050996 1077748786 /nfs/dbraw/zinc/74/87/86/1077748786.db2.gz KSZAKNDGMNJAIW-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=C(C)CC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001609050996 1077748792 /nfs/dbraw/zinc/74/87/92/1077748792.db2.gz KSZAKNDGMNJAIW-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(CNC(=O)CC)cc1 ZINC001272682375 1079581095 /nfs/dbraw/zinc/58/10/95/1079581095.db2.gz JZTFSGWSQJXTRX-KBPBESRZSA-N 0 3 317.433 2.054 20 30 DEEDHN C=C[C@@H](C(=O)N[C@]1(CO)CCCN(C(C)C)C1)c1ccccc1 ZINC001484449431 1079613302 /nfs/dbraw/zinc/61/33/02/1079613302.db2.gz FAHUUQFBPMQGJW-IEBWSBKVSA-N 0 3 316.445 2.308 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2scnc2C)cc1 ZINC001267934389 1079615048 /nfs/dbraw/zinc/61/50/48/1079615048.db2.gz XCGMCEWAVSWTLS-UHFFFAOYSA-N 0 3 313.426 2.494 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001267955215 1079635588 /nfs/dbraw/zinc/63/55/88/1079635588.db2.gz MTYDABGTGUPAFJ-OAHLLOKOSA-N 0 3 319.836 2.475 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccnc(OC)c2)C1 ZINC001484526259 1079644585 /nfs/dbraw/zinc/64/45/85/1079644585.db2.gz DRHFOVKMQROTRJ-CYBMUJFWSA-N 0 3 323.824 2.285 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(OC)ccn2)cc1 ZINC001484560544 1079660483 /nfs/dbraw/zinc/66/04/83/1079660483.db2.gz GBWTWQIFCCTXJD-AWEZNQCLSA-N 0 3 323.396 2.304 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cccc(=O)[nH]2)cc1 ZINC001484560179 1079660862 /nfs/dbraw/zinc/66/08/62/1079660862.db2.gz NSGCGCWSVLWBCE-CQSZACIVSA-N 0 3 323.396 2.391 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1nccnc1C ZINC001267987849 1079668703 /nfs/dbraw/zinc/66/87/03/1079668703.db2.gz HGXBSQWTMHLVKP-ZDUSSCGKSA-N 0 3 304.438 2.229 20 30 DEEDHN Cn1ncc2c1C[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)CC2 ZINC001650520439 1079687899 /nfs/dbraw/zinc/68/78/99/1079687899.db2.gz OZKVINYGJNUGER-CABZTGNLSA-N 0 3 316.311 2.075 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NCC(=O)N(C)C(C)C)CCC1 ZINC001484645716 1079702801 /nfs/dbraw/zinc/70/28/01/1079702801.db2.gz UKKABLSZCVTWIN-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CCC1 ZINC001484649984 1079707181 /nfs/dbraw/zinc/70/71/81/1079707181.db2.gz XRUHWMLLDGEPCV-HZPDHXFCSA-N 0 3 306.450 2.091 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H](C)c2ccco2)CCC1 ZINC001484660735 1079715841 /nfs/dbraw/zinc/71/58/41/1079715841.db2.gz OKSSORLWVMAHRK-OAHLLOKOSA-N 0 3 318.417 2.052 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@H](CNC/C=C\Cl)C1 ZINC001484689200 1079724010 /nfs/dbraw/zinc/72/40/10/1079724010.db2.gz UPOAWJVAVSKBMJ-SOIVGHGOSA-N 0 3 312.841 2.140 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cc(C)c(C)cc2Cl)CCO1 ZINC001484688868 1079727379 /nfs/dbraw/zinc/72/73/79/1079727379.db2.gz ODZWQAJJSNPQLC-AWEZNQCLSA-N 0 3 320.820 2.021 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001484745683 1079764999 /nfs/dbraw/zinc/76/49/99/1079764999.db2.gz OZJQDWXDPMCEAN-QGZVFWFLSA-N 0 3 314.429 2.139 20 30 DEEDHN Cc1nc(C)c(CN(C)CCCN(C)C(=O)[C@@H](C)C#N)s1 ZINC001484737188 1079770757 /nfs/dbraw/zinc/77/07/57/1079770757.db2.gz XMBOLXHBOXMERW-NSHDSACASA-N 0 3 308.451 2.200 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)c2ccc[nH]2)C1 ZINC001481388487 1079774417 /nfs/dbraw/zinc/77/44/17/1079774417.db2.gz DEBWCLLKRVETHS-HNNXBMFYSA-N 0 3 305.422 2.144 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(-c2ccco2)on1 ZINC001484751742 1079781394 /nfs/dbraw/zinc/78/13/94/1079781394.db2.gz CTSCQRRMYVQGKS-UHFFFAOYSA-N 0 3 315.373 2.352 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)c2cc[nH]c2C)C1 ZINC001481397498 1079784074 /nfs/dbraw/zinc/78/40/74/1079784074.db2.gz ZUENYHDZNREJRY-MRXNPFEDSA-N 0 3 319.449 2.452 20 30 DEEDHN CCCN(C(=O)C#CC(C)(C)C)[C@H]1CCN(C[C@H](C)OC)C1 ZINC001481401835 1079788146 /nfs/dbraw/zinc/78/81/46/1079788146.db2.gz ZGTIAMPXBHHVFZ-HOTGVXAUSA-N 0 3 308.466 2.384 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](OCC)C(C)C)C2 ZINC001484827458 1079809853 /nfs/dbraw/zinc/80/98/53/1079809853.db2.gz NWDFFMRZKPWRHB-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001484896970 1079848396 /nfs/dbraw/zinc/84/83/96/1079848396.db2.gz FHBOQGDXFLIXRT-UONOGXRCSA-N 0 3 319.453 2.221 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCOCC(F)F)[C@H](C)C1 ZINC001484968485 1079885467 /nfs/dbraw/zinc/88/54/67/1079885467.db2.gz QXKJUMNNXRBMOJ-OLZOCXBDSA-N 0 3 304.381 2.203 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001484968765 1079886331 /nfs/dbraw/zinc/88/63/31/1079886331.db2.gz SBZCBOUUPSFZEM-GXTWGEPZSA-N 0 3 323.462 2.123 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C)[C@@H]2C)c1 ZINC001653438623 1079928488 /nfs/dbraw/zinc/92/84/88/1079928488.db2.gz VRMDNJUFWSCQLY-KGLIPLIRSA-N 0 3 313.401 2.436 20 30 DEEDHN C#CCOCCN1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001653542099 1079932983 /nfs/dbraw/zinc/93/29/83/1079932983.db2.gz JGDDRAFXBVDCQL-IRXDYDNUSA-N 0 3 322.449 2.359 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001481480235 1079935139 /nfs/dbraw/zinc/93/51/39/1079935139.db2.gz SBGAYMGAMYQKCS-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1ccoc1C ZINC001485047104 1079935745 /nfs/dbraw/zinc/93/57/45/1079935745.db2.gz JRAKMDIZNOCWLB-OAHLLOKOSA-N 0 3 306.406 2.327 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)C(F)(F)F ZINC001672531521 1079949042 /nfs/dbraw/zinc/94/90/42/1079949042.db2.gz WHPPGPQTLNTNKK-JHJVBQTASA-N 0 3 302.340 2.273 20 30 DEEDHN C=CCCC(=O)NC1CC(CNCc2c(C)nn(C)c2Cl)C1 ZINC001485089044 1079968400 /nfs/dbraw/zinc/96/84/00/1079968400.db2.gz NYLHIVXCUGOXPL-UHFFFAOYSA-N 0 3 324.856 2.333 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H](C)NC(=O)CC1CC1 ZINC001485113919 1079981082 /nfs/dbraw/zinc/98/10/82/1079981082.db2.gz IVSBJNHPEHPMAQ-OLZOCXBDSA-N 0 3 315.417 2.350 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N(C)C(C)C ZINC001268064417 1080006061 /nfs/dbraw/zinc/00/60/61/1080006061.db2.gz GOLSJDUUVIVVNR-HUUCEWRRSA-N 0 3 311.470 2.035 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CN[C@H](C)c1n[nH]c(CC)n1 ZINC001268064425 1080006480 /nfs/dbraw/zinc/00/64/80/1080006480.db2.gz GQOGVSDITHBPOK-CHWSQXEVSA-N 0 3 307.442 2.221 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cccc(C(N)=O)c1 ZINC001485152566 1080017938 /nfs/dbraw/zinc/01/79/38/1080017938.db2.gz LSNWZKRYHLXOGK-UONOGXRCSA-N 0 3 317.433 2.125 20 30 DEEDHN CCn1nccc1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001485140011 1080025050 /nfs/dbraw/zinc/02/50/50/1080025050.db2.gz YGOZOGSZNPMAHJ-HOTGVXAUSA-N 0 3 324.428 2.051 20 30 DEEDHN C#CCNC1(CNC(=O)c2cnn(CCCC)c2CC)CCC1 ZINC001673226353 1080027746 /nfs/dbraw/zinc/02/77/46/1080027746.db2.gz KFEAMOKNBRQTLQ-UHFFFAOYSA-N 0 3 316.449 2.121 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1ccccc1F ZINC001656109016 1080047458 /nfs/dbraw/zinc/04/74/58/1080047458.db2.gz CPMYSEXVWHDXSI-AWEZNQCLSA-N 0 3 306.381 2.313 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC001268096113 1080068570 /nfs/dbraw/zinc/06/85/70/1080068570.db2.gz OPFQTVOPHWQDLZ-IRXDYDNUSA-N 0 3 316.445 2.267 20 30 DEEDHN CCc1nc[nH]c1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001268096294 1080068815 /nfs/dbraw/zinc/06/88/15/1080068815.db2.gz NRHLWAZQVMGCLT-OAHLLOKOSA-N 0 3 324.428 2.074 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cncn1C)CC(C)C ZINC001268111140 1080080697 /nfs/dbraw/zinc/08/06/97/1080080697.db2.gz ZWWTZMAYUMNPDJ-AWEZNQCLSA-N 0 3 306.454 2.253 20 30 DEEDHN C=CCCCN1CCC[C@@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001268113973 1080083518 /nfs/dbraw/zinc/08/35/18/1080083518.db2.gz HTXHKRIEDDCTAB-CYBMUJFWSA-N 0 3 308.401 2.028 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1cnon1 ZINC001656448229 1080093155 /nfs/dbraw/zinc/09/31/55/1080093155.db2.gz NFKAPFFISPMZSE-GWCFXTLKSA-N 0 3 312.801 2.043 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)COC3CCCC3)C(C)(C)[C@H]21 ZINC001656650598 1080110148 /nfs/dbraw/zinc/11/01/48/1080110148.db2.gz HZTOPDBWWLJTNR-NJAFHUGGSA-N 0 3 318.461 2.184 20 30 DEEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1ccc(F)cc1 ZINC001485290577 1080121123 /nfs/dbraw/zinc/12/11/23/1080121123.db2.gz YKAXDJZLUKEFBE-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1cccc(C#N)c1 ZINC001485294567 1080123077 /nfs/dbraw/zinc/12/30/77/1080123077.db2.gz GCYUSSCABSPHDE-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)N(C)CCc2cnn(C)c2)CCC1 ZINC001485347979 1080158190 /nfs/dbraw/zinc/15/81/90/1080158190.db2.gz RGUNSHYYWOQXJF-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cnns2)C1 ZINC001268173093 1080162443 /nfs/dbraw/zinc/16/24/43/1080162443.db2.gz CUIDFMAWXWPQJM-ZIAGYGMSSA-N 0 3 320.462 2.058 20 30 DEEDHN C#CCC[C@@H](O)CNCc1cnn(Cc2ccccc2Cl)c1 ZINC001657910857 1080190005 /nfs/dbraw/zinc/19/00/05/1080190005.db2.gz GNSKYLGIHNRVLP-MRXNPFEDSA-N 0 3 317.820 2.449 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@]2(F)CCOC2)CCCCC1 ZINC001485454634 1080217525 /nfs/dbraw/zinc/21/75/25/1080217525.db2.gz GGGTUBISRZCHKH-OAHLLOKOSA-N 0 3 318.820 2.276 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001481645754 1080219933 /nfs/dbraw/zinc/21/99/33/1080219933.db2.gz WTHXSQUGAYFEEX-OAHLLOKOSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccn(C)n2)CCCCC1 ZINC001485458435 1080228235 /nfs/dbraw/zinc/22/82/35/1080228235.db2.gz LKVNVJYGXNSEEQ-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)CC[C@H]21 ZINC001268264602 1080241670 /nfs/dbraw/zinc/24/16/70/1080241670.db2.gz UPFJFLAKVMMCFC-JSMQFAGNSA-N 0 3 318.461 2.161 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CN(C)c1ccccc1 ZINC001485486138 1080261815 /nfs/dbraw/zinc/26/18/15/1080261815.db2.gz WMRSPNPCGPXDKD-GOSISDBHSA-N 0 3 313.445 2.117 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H]1CCOc2ccccc21 ZINC001660337511 1080312933 /nfs/dbraw/zinc/31/29/33/1080312933.db2.gz FAKAYTJUXFWNEA-INIZCTEOSA-N 0 3 300.402 2.014 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001481703621 1080324381 /nfs/dbraw/zinc/32/43/81/1080324381.db2.gz ALGBETMGHPBOGT-CQSZACIVSA-N 0 3 313.401 2.175 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001660409057 1080327290 /nfs/dbraw/zinc/32/72/90/1080327290.db2.gz SNJUGYDDMVUVAY-GOSISDBHSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1ccccn1 ZINC001268340468 1080341790 /nfs/dbraw/zinc/34/17/90/1080341790.db2.gz SPKSNLOUJMAQLU-LLVKDONJSA-N 0 3 312.211 2.088 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001660838486 1080406278 /nfs/dbraw/zinc/40/62/78/1080406278.db2.gz WXELPXMTJORRMH-WBVHZDCISA-N 0 3 312.429 2.442 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001660847376 1080408586 /nfs/dbraw/zinc/40/85/86/1080408586.db2.gz GOHUUABCIYQRPM-CVEARBPZSA-N 0 3 317.433 2.389 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001660876942 1080410962 /nfs/dbraw/zinc/41/09/62/1080410962.db2.gz WJOMSAZYECWYQE-UHFFFAOYSA-N 0 3 321.509 2.369 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1ccc(C)c(C)c1Cl ZINC001485776220 1080416890 /nfs/dbraw/zinc/41/68/90/1080416890.db2.gz DIHJJTKHKXXJDU-UHFFFAOYSA-N 0 3 322.836 2.268 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)C2(C)CCCC2)CC1 ZINC001661069332 1080437882 /nfs/dbraw/zinc/43/78/82/1080437882.db2.gz WACUEDAQHTWHNT-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)COc2cc(C)ccc2C)C1 ZINC001481752016 1080439465 /nfs/dbraw/zinc/43/94/65/1080439465.db2.gz UDCDVYHYYUUGJY-KRWDZBQOSA-N 0 3 314.429 2.238 20 30 DEEDHN C=CCOCCN1CCC(N(CCC)C(=O)c2cnco2)CC1 ZINC001661090172 1080440289 /nfs/dbraw/zinc/44/02/89/1080440289.db2.gz NYMGNSQEYOMMFT-UHFFFAOYSA-N 0 3 321.421 2.194 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](NCC#Cc2ccccc2)C2CC2)on1 ZINC001661107957 1080442989 /nfs/dbraw/zinc/44/29/89/1080442989.db2.gz YWRQBDPMANEFKD-QGZVFWFLSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)F ZINC001661250391 1080464120 /nfs/dbraw/zinc/46/41/20/1080464120.db2.gz YWFQJJUXHQVAJF-OKILXGFUSA-N 0 3 316.392 2.300 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H](NC/C=C/Cl)C1)OCC ZINC001661314555 1080468742 /nfs/dbraw/zinc/46/87/42/1080468742.db2.gz KIZPBNCTTYPPBU-CXSYMGSUSA-N 0 3 300.830 2.301 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2[nH]ccc2C)C1 ZINC001481765265 1080481031 /nfs/dbraw/zinc/48/10/31/1080481031.db2.gz UAQPBCNBMFCONH-OAHLLOKOSA-N 0 3 305.422 2.062 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001481779010 1080493774 /nfs/dbraw/zinc/49/37/74/1080493774.db2.gz YVEDFUKGZFHIQE-XJKSGUPXSA-N 0 3 316.449 2.076 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001661641039 1080502343 /nfs/dbraw/zinc/50/23/43/1080502343.db2.gz UDIOXJXYPVBSNW-UPJWGTAASA-N 0 3 308.451 2.186 20 30 DEEDHN CC[C@H](CNC(=O)c1ccc[nH]1)NCC#Cc1ccc(F)cc1 ZINC001481788090 1080506197 /nfs/dbraw/zinc/50/61/97/1080506197.db2.gz GVIYVDUNHWFZGC-MRXNPFEDSA-N 0 3 313.376 2.304 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)CCOc2ccccc2)C1 ZINC001661747796 1080516902 /nfs/dbraw/zinc/51/69/02/1080516902.db2.gz HTGCBYNAXXJOAV-KRWDZBQOSA-N 0 3 314.429 2.307 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001661753044 1080518375 /nfs/dbraw/zinc/51/83/75/1080518375.db2.gz RUDOZLZTNIONRB-WMZOPIPTSA-N 0 3 314.429 2.226 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001268467784 1080548130 /nfs/dbraw/zinc/54/81/30/1080548130.db2.gz IJRMMWRPNVFMHR-QZTJIDSGSA-N 0 3 320.477 2.291 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC001661976428 1080551282 /nfs/dbraw/zinc/55/12/82/1080551282.db2.gz CHUONLQTFRAIDP-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C(C)C ZINC001661971701 1080551479 /nfs/dbraw/zinc/55/14/79/1080551479.db2.gz CLFWRBCIGDHRQA-ZWKOTPCHSA-N 0 3 318.461 2.448 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCCCC2)C1 ZINC001661976429 1080552104 /nfs/dbraw/zinc/55/21/04/1080552104.db2.gz CHUONLQTFRAIDP-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001661989110 1080558221 /nfs/dbraw/zinc/55/82/21/1080558221.db2.gz JCIDGQUHNIVTDK-WMZOPIPTSA-N 0 3 318.461 2.353 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)NCc2cnccc2C)cc1 ZINC001662303045 1080592583 /nfs/dbraw/zinc/59/25/83/1080592583.db2.gz HTHBRYPVTQHUBF-HNNXBMFYSA-N 0 3 307.397 2.279 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CNCc2cc(C)no2)C1 ZINC001662619617 1080622612 /nfs/dbraw/zinc/62/26/12/1080622612.db2.gz OGALUEHAYZFGHK-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2ccn(CC)n2)C1 ZINC001662747299 1080647269 /nfs/dbraw/zinc/64/72/69/1080647269.db2.gz NUZUEBKYVZIDKN-HUUCEWRRSA-N 0 3 304.438 2.386 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccn(CC)n2)C1 ZINC001481986620 1080671880 /nfs/dbraw/zinc/67/18/80/1080671880.db2.gz SRWQKPUSGJWFIP-AWEZNQCLSA-N 0 3 324.856 2.487 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1nccnc1C ZINC001662970727 1080681403 /nfs/dbraw/zinc/68/14/03/1080681403.db2.gz MCTUKFLEOTUVMJ-DYVFJYSZSA-N 0 3 304.438 2.372 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)CCC(C)C)CCC[C@@H]12 ZINC001107277020 1080704200 /nfs/dbraw/zinc/70/42/00/1080704200.db2.gz LHJZBCVBORIMHK-IEBWSBKVSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107317806 1080724473 /nfs/dbraw/zinc/72/44/73/1080724473.db2.gz BZSDOLHYQBSKHP-ZMSDIMECSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccccc1OC1CCC1 ZINC001663271846 1080725743 /nfs/dbraw/zinc/72/57/43/1080725743.db2.gz IZMAWSLBCMQIJS-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cnn(CCC)c1C1CC1 ZINC001663313424 1080730744 /nfs/dbraw/zinc/73/07/44/1080730744.db2.gz PSPFIUZYTSINTQ-UHFFFAOYSA-N 0 3 304.438 2.408 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1csc(CC)n1 ZINC001663548196 1080772433 /nfs/dbraw/zinc/77/24/33/1080772433.db2.gz PSBBHSINAWJXJS-CQSZACIVSA-N 0 3 307.463 2.405 20 30 DEEDHN CCC(CC)(CC)C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001663628538 1080791973 /nfs/dbraw/zinc/79/19/73/1080791973.db2.gz CQRMLJOAFSDQII-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C[C@H](CNC/C(Cl)=C\Cl)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482093905 1080796692 /nfs/dbraw/zinc/79/66/92/1080796692.db2.gz GVHLSSLJLBIMEZ-BZFUBLJMSA-N 0 3 315.204 2.161 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001663691933 1080804118 /nfs/dbraw/zinc/80/41/18/1080804118.db2.gz CQAFMWBYTGEJID-UHFFFAOYSA-N 0 3 311.429 2.480 20 30 DEEDHN CCc1nc(C)c(CNC[C@H](C)CNC(=O)C#CC(C)(C)C)o1 ZINC001482103070 1080806412 /nfs/dbraw/zinc/80/64/12/1080806412.db2.gz XLAOFGXDISKSLQ-ZDUSSCGKSA-N 0 3 319.449 2.437 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2c(c1)ncn2C)C1CC1 ZINC001663735895 1080809986 /nfs/dbraw/zinc/80/99/86/1080809986.db2.gz YGKBEYYINOJCQM-UHFFFAOYSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCN(CCNC(=O)c1cnn(C(C)C)c1Cl)C1CC1 ZINC001663744634 1080811355 /nfs/dbraw/zinc/81/13/55/1080811355.db2.gz XXYZEYHOHYEQBI-UHFFFAOYSA-N 0 3 310.829 2.498 20 30 DEEDHN C=CCN(CCNC(=O)Cc1cccc2nsnc21)C1CC1 ZINC001663782406 1080815876 /nfs/dbraw/zinc/81/58/76/1080815876.db2.gz VJMIWRIOWGUJCJ-UHFFFAOYSA-N 0 3 316.430 2.000 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001663927560 1080838718 /nfs/dbraw/zinc/83/87/18/1080838718.db2.gz DKWCCVBQRGHFFV-STQMWFEESA-N 0 3 324.371 2.112 20 30 DEEDHN COC[C@@H](C)[C@@H](C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001663977676 1080844725 /nfs/dbraw/zinc/84/47/25/1080844725.db2.gz OHBAEYMXIGYCGK-HUUCEWRRSA-N 0 3 317.433 2.025 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNCc1cc2n(n1)CCC2 ZINC001482136932 1080854562 /nfs/dbraw/zinc/85/45/62/1080854562.db2.gz MWBCBISZVZJXKD-RDTXWAMCSA-N 0 3 318.465 2.274 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001268643835 1080912494 /nfs/dbraw/zinc/91/24/94/1080912494.db2.gz 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C#CC(=O)N1CCC2(CCCN(Cc3scnc3C)C2)CC1 ZINC001268941481 1081052340 /nfs/dbraw/zinc/05/23/40/1081052340.db2.gz BISTYJZYMAYPLU-UHFFFAOYSA-N 0 3 317.458 2.289 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@@H](C)n2cccc2)C1 ZINC001665710193 1081068171 /nfs/dbraw/zinc/06/81/71/1081068171.db2.gz XEXKNUJWHJASDU-SJORKVTESA-N 0 3 319.449 2.175 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC[C@@H]2CCCCO2)C1 ZINC001665731818 1081073508 /nfs/dbraw/zinc/07/35/08/1081073508.db2.gz OHBAHOHACWLHDY-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC1(CNCCF)CCCC1 ZINC001665958601 1081103260 /nfs/dbraw/zinc/10/32/60/1081103260.db2.gz AAGKJPKNIAOEDA-UHFFFAOYSA-N 0 3 302.393 2.199 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 ZINC001666105048 1081123349 /nfs/dbraw/zinc/12/33/49/1081123349.db2.gz SPCHLEGMQJTUER-DZGCQCFKSA-N 0 3 314.857 2.382 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C2CCC(OC)CC2)cc1 ZINC001666340975 1081145690 /nfs/dbraw/zinc/14/56/90/1081145690.db2.gz GZCZJPWKDLVLLH-UHFFFAOYSA-N 0 3 314.429 2.231 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)[C@@H]2CCCO2)cc1 ZINC001666341331 1081146144 /nfs/dbraw/zinc/14/61/44/1081146144.db2.gz SUYMPVPGVVWBQW-QAPCUYQASA-N 0 3 314.429 2.231 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CN(C)Cc2ccccc2)C1 ZINC001269302996 1081204221 /nfs/dbraw/zinc/20/42/21/1081204221.db2.gz XPQSGZZGIMLKTD-GOSISDBHSA-N 0 3 315.461 2.227 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001269340051 1081221566 /nfs/dbraw/zinc/22/15/66/1081221566.db2.gz WCFICBUUEWKKRW-RDJZCZTQSA-N 0 3 318.465 2.413 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)COc1ccccc1F ZINC001269343224 1081221756 /nfs/dbraw/zinc/22/17/56/1081221756.db2.gz JIMJNQHSUTZMHE-CQSZACIVSA-N 0 3 306.381 2.361 20 30 DEEDHN CC(C)=CC(=O)NCC1(NCc2ccc(OCC#N)cc2)CC1 ZINC001269368553 1081230095 /nfs/dbraw/zinc/23/00/95/1081230095.db2.gz KMRRNVOKAORZCB-UHFFFAOYSA-N 0 3 313.401 2.294 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccncn1 ZINC001667296063 1081234300 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C=C(Br)CNCC[C@@H](C)NC(=O)[C@@H]1CC12CC2 ZINC001668223758 1081329490 /nfs/dbraw/zinc/32/94/90/1081329490.db2.gz FLAMFYIPXOHHCU-MNOVXSKESA-N 0 3 301.228 2.180 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](CNCc1ccns1)C(C)(C)C ZINC001284588066 1081332503 /nfs/dbraw/zinc/33/25/03/1081332503.db2.gz ZBGLIWJMXLIPSU-AWEZNQCLSA-N 0 3 307.463 2.423 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001269685633 1081332719 /nfs/dbraw/zinc/33/27/19/1081332719.db2.gz JORNQJFDQYGZMY-DOTOQJQBSA-N 0 3 308.491 2.323 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001269696852 1081336412 /nfs/dbraw/zinc/33/64/12/1081336412.db2.gz DYTKYMZOFOVXHK-ZDUSSCGKSA-N 0 3 315.870 2.214 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccc(C)nn2)C1 ZINC001269729226 1081348431 /nfs/dbraw/zinc/34/84/31/1081348431.db2.gz BXNUASFDTYFFCE-CQSZACIVSA-N 0 3 322.840 2.369 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCN[C@@H](C)C(=O)NCCC)CC1 ZINC001668545500 1081366206 /nfs/dbraw/zinc/36/62/06/1081366206.db2.gz CWSKPDISANIJMZ-HNNXBMFYSA-N 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C#CCN1CCC(C)(CNC(=O)c2cc3ncccc3o2)CC1 ZINC001671846763 1081542597 /nfs/dbraw/zinc/54/25/97/1081542597.db2.gz MTKDUZLFVKWZLC-UHFFFAOYSA-N 0 3 311.385 2.293 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cn(C)nc2CC)C1 ZINC001671891720 1081546770 /nfs/dbraw/zinc/54/67/70/1081546770.db2.gz GDKIMNZUSQUSOO-QGZVFWFLSA-N 0 3 304.438 2.000 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2csc(C)n2)C1 ZINC001671916777 1081549665 /nfs/dbraw/zinc/54/96/65/1081549665.db2.gz QRMGGEBHUGXKIF-INIZCTEOSA-N 0 3 307.463 2.398 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CN(CC[C@H](C)F)CCC1(F)F ZINC001671963212 1081554011 /nfs/dbraw/zinc/55/40/11/1081554011.db2.gz VGUZCORRKIMYMO-STQMWFEESA-N 0 3 322.371 2.011 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1ccnn1C)c1ccccc1CC ZINC001672177046 1081563655 /nfs/dbraw/zinc/56/36/55/1081563655.db2.gz QGZCCWKMHCHCRJ-MRXNPFEDSA-N 0 3 312.417 2.229 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ccon1)c1ccccc1CC ZINC001672176977 1081563953 /nfs/dbraw/zinc/56/39/53/1081563953.db2.gz PJBNGBWTAUAPSS-KRWDZBQOSA-N 0 3 311.385 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C=CCCN1CCC[C@@](CO)(NC(=O)c2ccc(Cl)o2)C1 ZINC001271942883 1082203092 /nfs/dbraw/zinc/20/30/92/1082203092.db2.gz VOYSFWIAWBHXFL-OAHLLOKOSA-N 0 3 312.797 2.066 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001670657369 1082205629 /nfs/dbraw/zinc/20/56/29/1082205629.db2.gz WJLRJJZQBCSYTP-JKSUJKDBSA-N 0 3 304.438 2.237 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001266611264 1082206326 /nfs/dbraw/zinc/20/63/26/1082206326.db2.gz BUDBMSJVIADXCK-MSOLQXFVSA-N 0 3 314.429 2.358 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1c(C)nn(C)c1C ZINC001670671948 1082210967 /nfs/dbraw/zinc/21/09/67/1082210967.db2.gz HGCIYWNIIWIDKD-INIZCTEOSA-N 0 3 318.465 2.126 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1cncn1C)C(C)C ZINC001482556881 1082212525 /nfs/dbraw/zinc/21/25/25/1082212525.db2.gz NCYLNRMYTYBCMQ-HNNXBMFYSA-N 0 3 306.454 2.253 20 30 DEEDHN Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)s2)n1C ZINC001266641071 1082240832 /nfs/dbraw/zinc/24/08/32/1082240832.db2.gz ODBZXBGJRWWRND-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/70/79/37/1083707937.db2.gz AMGADKXXXPENDS-KRWDZBQOSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001276985605 1083721273 /nfs/dbraw/zinc/72/12/73/1083721273.db2.gz DZCLBTCGFRIXAT-ZIAGYGMSSA-N 0 3 316.392 2.205 20 30 DEEDHN Cc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)cn1 ZINC001277054894 1083751862 /nfs/dbraw/zinc/75/18/62/1083751862.db2.gz NQTGKNDDBDCLSX-OALUTQOASA-N 0 3 321.428 2.453 20 30 DEEDHN C[C@@H]1C[C@@H]1CN1CCc2nc(C(=O)NC3(C#N)CCC3)ccc2C1 ZINC001277143439 1083804842 /nfs/dbraw/zinc/80/48/42/1083804842.db2.gz VMNJBRRTGOCJNF-UKRRQHHQSA-N 0 3 324.428 2.272 20 30 DEEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)c1cncnc1 ZINC001277171544 1083827611 /nfs/dbraw/zinc/82/76/11/1083827611.db2.gz KRHTYHXEMOJAKQ-CQSZACIVSA-N 0 3 323.400 2.037 20 30 DEEDHN Cc1cnc([C@H](C)NCCC[C@@H](C)NC(=O)C#CC(C)C)cn1 ZINC001277187614 1083838348 /nfs/dbraw/zinc/83/83/48/1083838348.db2.gz VXEIQBKYLUVFTL-ZBFHGGJFSA-N 0 3 316.449 2.380 20 30 DEEDHN N#CC1(NC(=O)[C@@H]2CC23CCN(Cc2ccco2)CC3)CCC1 ZINC001277398730 1083947617 /nfs/dbraw/zinc/94/76/17/1083947617.db2.gz BORUPYXABYGKFW-HNNXBMFYSA-N 0 3 313.401 2.444 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001077805915 1083956753 /nfs/dbraw/zinc/95/67/53/1083956753.db2.gz SSAGYZWYFWJOQC-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001490932090 1083959907 /nfs/dbraw/zinc/95/99/07/1083959907.db2.gz CKTOKXWSOUCDFO-HDJSIYSDSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)OCCC(C)C)C2)CC1 ZINC001277496126 1084001715 /nfs/dbraw/zinc/00/17/15/1084001715.db2.gz NSVTXISLOHKIQJ-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](NCc2cnc(Cl)s2)C1 ZINC001491012958 1084007441 /nfs/dbraw/zinc/00/74/41/1084007441.db2.gz QMVKXMQXWIQCNR-PHIMTYICSA-N 0 3 311.838 2.193 20 30 DEEDHN CCCc1nc(C)c(CNCC[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001272774429 1084018753 /nfs/dbraw/zinc/01/87/53/1084018753.db2.gz VGVDHUNCEZTNIW-CYBMUJFWSA-N 0 3 317.433 2.333 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 ZINC001670900398 1084033725 /nfs/dbraw/zinc/03/37/25/1084033725.db2.gz QBYMRJVAESXLFO-LBPRGKRZSA-N 0 3 302.443 2.358 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCC1(c3ccccc3)CC1)C2 ZINC001649062015 1084069959 /nfs/dbraw/zinc/06/99/59/1084069959.db2.gz ASMVRFIAHJWPCG-CMVHYPBASA-N 0 3 323.440 2.364 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001491121302 1084086024 /nfs/dbraw/zinc/08/60/24/1084086024.db2.gz WMEAUYQRDSKFMU-QWHCGFSZSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H](OC)C1 ZINC001212377620 1084100523 /nfs/dbraw/zinc/10/05/23/1084100523.db2.gz VNGLZHKWRZOKNA-BFHYXJOUSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(CCC(=O)OC)CCCCC1 ZINC001649102510 1084118186 /nfs/dbraw/zinc/11/81/86/1084118186.db2.gz CUUUTAUJWMNVKS-GFCCVEGCSA-N 0 3 316.829 2.229 20 30 DEEDHN CCO[C@H](CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001277767720 1084139846 /nfs/dbraw/zinc/13/98/46/1084139846.db2.gz XWUIYUCYQXLUJU-FUHWJXTLSA-N 0 3 316.445 2.290 20 30 DEEDHN CCn1cc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)cn1 ZINC001277781847 1084145624 /nfs/dbraw/zinc/14/56/24/1084145624.db2.gz NMNKYCMLSUGJTG-MRXNPFEDSA-N 0 3 324.428 2.005 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CNCc1ccns1 ZINC001277814707 1084160893 /nfs/dbraw/zinc/16/08/93/1084160893.db2.gz QZHYKZKSMDBZSL-KBPBESRZSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)CCCc1csc(C)n1 ZINC001277818826 1084161568 /nfs/dbraw/zinc/16/15/68/1084161568.db2.gz CZBYLSZTUOIITB-CYBMUJFWSA-N 0 3 307.463 2.234 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NCC(C)C ZINC001277865359 1084183735 /nfs/dbraw/zinc/18/37/35/1084183735.db2.gz FQBWRWRDLXWREQ-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](CC)CC(F)F)[C@H](OC)C1 ZINC001212401024 1084204970 /nfs/dbraw/zinc/20/49/70/1084204970.db2.gz BKXUFJPPMIPABH-BFHYXJOUSA-N 0 3 318.408 2.449 20 30 DEEDHN Cc1nc(C(C)C)oc1CN1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001493184390 1084267021 /nfs/dbraw/zinc/26/70/21/1084267021.db2.gz PKGDGXYMVXKAMX-JSGCOSHPSA-N 0 3 318.421 2.204 20 30 DEEDHN C[C@H](CNC(=O)c1cncs1)NCc1ccc(C#N)c(F)c1 ZINC001491400945 1084285878 /nfs/dbraw/zinc/28/58/78/1084285878.db2.gz FGGMLIOXZFYLLX-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H](C)NCC(=O)N1CCC[C@H](C)C1 ZINC001277921840 1084302420 /nfs/dbraw/zinc/30/24/20/1084302420.db2.gz JZTMDOQYSBNZEV-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCOCC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001235136793 1084324389 /nfs/dbraw/zinc/32/43/89/1084324389.db2.gz GCQXROSQOSCUGT-UHFFFAOYSA-N 0 3 321.396 2.062 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)NCC(=O)N1CCCC[C@@H]1CC ZINC001491468206 1084335948 /nfs/dbraw/zinc/33/59/48/1084335948.db2.gz YYGVHDSLKBCUHL-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cccc(O)c1)CC2 ZINC001272899021 1084448780 /nfs/dbraw/zinc/44/87/80/1084448780.db2.gz BMVMOZCVIBSYLC-MRXNPFEDSA-N 0 3 300.402 2.297 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCNC1=O ZINC001235569094 1084467254 /nfs/dbraw/zinc/46/72/54/1084467254.db2.gz MBRKYOUBTMUHGP-CVEARBPZSA-N 0 3 323.481 2.016 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001235633060 1084483443 /nfs/dbraw/zinc/48/34/43/1084483443.db2.gz MRKJOMACKHHZPX-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001235723051 1084512507 /nfs/dbraw/zinc/51/25/07/1084512507.db2.gz OKWMSACCOLJRMI-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001078097857 1084536028 /nfs/dbraw/zinc/53/60/28/1084536028.db2.gz MYDWZFAAZLJFKN-HUUCEWRRSA-N 0 3 322.474 2.035 20 30 DEEDHN C=CCCCC(=O)NCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001078098311 1084537512 /nfs/dbraw/zinc/53/75/12/1084537512.db2.gz IJJRWLQVYJSEOL-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(=O)N[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC001078515809 1084710666 /nfs/dbraw/zinc/71/06/66/1084710666.db2.gz GKJXNKZVGKEKOR-JKSUJKDBSA-N 0 3 301.365 2.234 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@H](NC(C)=O)C12CCC2 ZINC001078514157 1084719705 /nfs/dbraw/zinc/71/97/05/1084719705.db2.gz JPOHXQIDNBQRKQ-SJORKVTESA-N 0 3 313.401 2.104 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C12CCC2 ZINC001078591526 1084761906 /nfs/dbraw/zinc/76/19/06/1084761906.db2.gz SGKDIBJJEKKRKI-STQMWFEESA-N 0 3 321.808 2.170 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C12CCC2 ZINC001078596766 1084763231 /nfs/dbraw/zinc/76/32/31/1084763231.db2.gz MKPKSHYREVJKIY-UONOGXRCSA-N 0 3 318.808 2.269 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]cnc2CC)C12CCC2 ZINC001078795022 1084899488 /nfs/dbraw/zinc/89/94/88/1084899488.db2.gz MHUDMLQSGGWGNM-STQMWFEESA-N 0 3 322.840 2.355 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cn(CC)nc1C(C)C ZINC001485928762 1085001409 /nfs/dbraw/zinc/00/14/09/1085001409.db2.gz LIGNINQPFOPELD-CQSZACIVSA-N 0 3 304.438 2.100 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCO)[C@H]2C)CCCCC1 ZINC001486185235 1085113432 /nfs/dbraw/zinc/11/34/32/1085113432.db2.gz GLHMBCWHXZKJCE-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001486193775 1085121602 /nfs/dbraw/zinc/12/16/02/1085121602.db2.gz CZNXIZSEIWEFLJ-QWHCGFSZSA-N 0 3 307.394 2.024 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2cnc(C)o2)C1 ZINC001486197328 1085124579 /nfs/dbraw/zinc/12/45/79/1085124579.db2.gz HAEBXDXAYXVWAZ-HUUCEWRRSA-N 0 3 303.406 2.161 20 30 DEEDHN CCC[C@H](C)CC(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001486228983 1085136762 /nfs/dbraw/zinc/13/67/62/1085136762.db2.gz REUQTQOTQAYGES-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(F)cn1 ZINC000960257354 1085167969 /nfs/dbraw/zinc/16/79/69/1085167969.db2.gz PMDHHFGXBBDULF-IAGOWNOFSA-N 0 3 311.360 2.392 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(CC)n(C)n1 ZINC000960333450 1085201309 /nfs/dbraw/zinc/20/13/09/1085201309.db2.gz LWSOLRIBWCOQIT-SJLPKXTDSA-N 0 3 324.428 2.154 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001486358299 1085218002 /nfs/dbraw/zinc/21/80/02/1085218002.db2.gz ZWVDRZDISAXZJU-OFLPRAFFSA-N 0 3 308.466 2.140 20 30 DEEDHN CC(C)C#CC(=O)N(CCN(C)C[C@H]1CCCCO1)C(C)C ZINC001486368541 1085239057 /nfs/dbraw/zinc/23/90/57/1085239057.db2.gz RQKGAQLMXJSSOX-QGZVFWFLSA-N 0 3 308.466 2.384 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC001486378497 1085254540 /nfs/dbraw/zinc/25/45/40/1085254540.db2.gz LRGGUGCXCAVKHG-IAGOWNOFSA-N 0 3 308.466 2.384 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000960463437 1085299728 /nfs/dbraw/zinc/29/97/28/1085299728.db2.gz UBKGUZKMPGNZKM-RHSMWYFYSA-N 0 3 315.417 2.016 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)c2cccnc2)C1 ZINC000961473328 1085746133 /nfs/dbraw/zinc/74/61/33/1085746133.db2.gz SBCBCECOPGXMMV-UHFFFAOYSA-N 0 3 320.396 2.251 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc(F)c3F)CC2)C1=O ZINC001272973647 1085747588 /nfs/dbraw/zinc/74/75/88/1085747588.db2.gz GIZVLPQCQVBNDZ-UHFFFAOYSA-N 0 3 318.367 2.413 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3c(F)cccc3F)CC2)C1=O ZINC001272974516 1085748847 /nfs/dbraw/zinc/74/88/47/1085748847.db2.gz RYXBERMXEORFLQ-UHFFFAOYSA-N 0 3 318.367 2.413 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(Cl)c(OC)c1 ZINC000961949438 1085919021 /nfs/dbraw/zinc/91/90/21/1085919021.db2.gz KXYSMYBPRWXPNC-JYAVWHMHSA-N 0 3 306.793 2.195 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000962049127 1085952486 /nfs/dbraw/zinc/95/24/86/1085952486.db2.gz HLVOMHKXGAPADQ-NHAGDIPZSA-N 0 3 319.474 2.216 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001083821774 1085989958 /nfs/dbraw/zinc/98/99/58/1085989958.db2.gz ARKOBRCKZDDUOU-JQHSSLGASA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c(s1)CCCC2 ZINC000962472002 1086127900 /nfs/dbraw/zinc/12/79/00/1086127900.db2.gz ULJRUVBIANHGBV-VIKVFOODSA-N 0 3 302.443 2.473 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(Cl)cc2c1OCC2 ZINC000962883114 1086265138 /nfs/dbraw/zinc/26/51/38/1086265138.db2.gz DODQHYPZDOTPEX-FICVDOATSA-N 0 3 318.804 2.121 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cc(F)c(C)cc2F)CCC1 ZINC001273129199 1086293924 /nfs/dbraw/zinc/29/39/24/1086293924.db2.gz NIAIFHSTUUXYNO-UHFFFAOYSA-N 0 3 320.383 2.468 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC001128935734 1086455849 /nfs/dbraw/zinc/45/58/49/1086455849.db2.gz LRQBFJSMTONFTD-AWEZNQCLSA-N 0 3 307.344 2.199 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2ccc(C#N)c(F)c2)CCC1 ZINC001129121057 1086597387 /nfs/dbraw/zinc/59/73/87/1086597387.db2.gz LFWSGERIXKQLFA-UHFFFAOYSA-N 0 3 313.376 2.097 20 30 DEEDHN CC[C@@H](CC(F)F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001129138549 1086603936 /nfs/dbraw/zinc/60/39/36/1086603936.db2.gz VBICMSOPGLOKTO-AWEZNQCLSA-N 0 3 309.360 2.445 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001062227871 1086806224 /nfs/dbraw/zinc/80/62/24/1086806224.db2.gz KWNHLLQXJXYFDP-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCN(C)C(=O)C1(C)CCC1 ZINC001493660767 1087236145 /nfs/dbraw/zinc/23/61/45/1087236145.db2.gz ULKJKDAIPOISEN-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cnccc3OCC)C2)C1=O ZINC001273187065 1087237283 /nfs/dbraw/zinc/23/72/83/1087237283.db2.gz FMCKOAOUUZPHHV-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CCC)s2)[C@@H](O)C1 ZINC001090299795 1087645287 /nfs/dbraw/zinc/64/52/87/1087645287.db2.gz GYUGOLHBKVNQEF-GJZGRUSLSA-N 0 3 322.474 2.442 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)/C=C/C3CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079229555 1087786990 /nfs/dbraw/zinc/78/69/90/1087786990.db2.gz GASBPXHUYLXTBY-LZCSOBMZSA-N 0 3 316.445 2.078 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cccc(OC)c3)C[C@H]21 ZINC001114682681 1088078271 /nfs/dbraw/zinc/07/82/71/1088078271.db2.gz BMQHGDHHKITAPP-FVQHAEBGSA-N 0 3 314.429 2.454 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114709260 1088211457 /nfs/dbraw/zinc/21/14/57/1088211457.db2.gz LMFQZPGSYIVZFF-TWMKSMIVSA-N 0 3 315.392 2.099 20 30 DEEDHN C#CC[NH+]1CCC2(CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000957505523 1088356958 /nfs/dbraw/zinc/35/69/58/1088356958.db2.gz ZXXXRVYIRUXOFR-UHFFFAOYSA-N 0 3 312.413 2.344 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001079753693 1088381239 /nfs/dbraw/zinc/38/12/39/1088381239.db2.gz GYVZBXXDEOCBLW-VNQPRFMTSA-N 0 3 300.402 2.003 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)CC1 ZINC001114776903 1088482850 /nfs/dbraw/zinc/48/28/50/1088482850.db2.gz RWSNYKHYOXJQQT-PIIMJCKOSA-N 0 3 318.461 2.206 20 30 DEEDHN CCN(Cc1ccns1)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957692050 1088550039 /nfs/dbraw/zinc/55/00/39/1088550039.db2.gz KNYUPNNVFHNITQ-ZDUSSCGKSA-N 0 3 320.462 2.363 20 30 DEEDHN CCN(Cc1conc1C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000957691843 1088550138 /nfs/dbraw/zinc/55/01/38/1088550138.db2.gz GKWXBBOXXGBHNX-CYBMUJFWSA-N 0 3 318.421 2.203 20 30 DEEDHN CCN(Cc1cc(C)no1)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000957690618 1088550650 /nfs/dbraw/zinc/55/06/50/1088550650.db2.gz OZTVBRMKIXHQMO-CYBMUJFWSA-N 0 3 318.421 2.203 20 30 DEEDHN O=[N+]([O-])c1ccc(N=NC2CCN3CCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000606510896 1088616559 /nfs/dbraw/zinc/61/65/59/1088616559.db2.gz XUWDTWVSFDNHRP-LBPRGKRZSA-N 0 3 305.294 2.139 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccc(Cl)cc32)C1 ZINC001080129704 1088641487 /nfs/dbraw/zinc/64/14/87/1088641487.db2.gz KBPHXUDZHZYNHU-KCPJHIHWSA-N 0 3 320.820 2.439 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001080243340 1088708975 /nfs/dbraw/zinc/70/89/75/1088708975.db2.gz BZNYCZOMBFZXOM-OLMNPRSZSA-N 0 3 314.429 2.313 20 30 DEEDHN CC1(CC(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001114595845 1088714001 /nfs/dbraw/zinc/71/40/01/1088714001.db2.gz LMNWJWJZWJHQOH-VQFNDLOPSA-N 0 3 309.413 2.295 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC=CCC2)cc1 ZINC000958212071 1088852475 /nfs/dbraw/zinc/85/24/75/1088852475.db2.gz QLGNCQFOQKZBRW-INDMIFKZSA-N 0 3 321.424 2.461 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC000958453712 1088996765 /nfs/dbraw/zinc/99/67/65/1088996765.db2.gz PAXWGZLINNUWDD-PWSUYJOCSA-N 0 3 314.838 2.000 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001080507345 1089005208 /nfs/dbraw/zinc/00/52/08/1089005208.db2.gz FQWUSJBNKQXUBI-CXAGYDPISA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)CCCOC ZINC001276327678 1089024995 /nfs/dbraw/zinc/02/49/95/1089024995.db2.gz ZNHFFJUMHMKYPA-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1C ZINC001080597059 1089073158 /nfs/dbraw/zinc/07/31/58/1089073158.db2.gz MULDDBSSGCVIHL-TWMKSMIVSA-N 0 3 306.450 2.370 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cccc(C(F)F)c2)[C@H](O)C1 ZINC000958597083 1089080628 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C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001081029619 1089291221 /nfs/dbraw/zinc/29/12/21/1089291221.db2.gz HMMFYGFZZNFGFU-DAXOMENPSA-N 0 3 304.438 2.074 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H](OC)C1 ZINC001081753905 1089456541 /nfs/dbraw/zinc/45/65/41/1089456541.db2.gz FAWACQSCSCGDJZ-GDBMZVCRSA-N 0 3 317.389 2.156 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2c(C)cccc2C)[C@H](OC)C1 ZINC001081748689 1089457871 /nfs/dbraw/zinc/45/78/71/1089457871.db2.gz VPCXJLMCHHEHQW-QZTJIDSGSA-N 0 3 316.445 2.237 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(C)cncc2C)[C@H](OC)C1 ZINC001081942957 1089585437 /nfs/dbraw/zinc/58/54/37/1089585437.db2.gz OCSFXQUBYFOZTQ-HZPDHXFCSA-N 0 3 317.433 2.094 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001276361778 1089651903 /nfs/dbraw/zinc/65/19/03/1089651903.db2.gz RLEYENCPYFBVFE-CYBMUJFWSA-N 0 3 308.466 2.308 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@H](OC)C1 ZINC001082183947 1089761068 /nfs/dbraw/zinc/76/10/68/1089761068.db2.gz WABLUVIIZKJELU-ZACQAIPSSA-N 0 3 320.408 2.479 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C(C)(C)C)n1 ZINC000959849357 1089791154 /nfs/dbraw/zinc/79/11/54/1089791154.db2.gz LSVHJOMHDBHTTE-IMRBUKKESA-N 0 3 303.406 2.208 20 30 DEEDHN CCc1noc(C)c1CNC[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC000959922110 1089848512 /nfs/dbraw/zinc/84/85/12/1089848512.db2.gz ALQHHLLLCYTCMX-OCCSQVGLSA-N 0 3 318.421 2.176 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H](OC)C1 ZINC001082386735 1089903293 /nfs/dbraw/zinc/90/32/93/1089903293.db2.gz UPWXDFAZXNKAFY-SWHNLWLKSA-N 0 3 306.450 2.204 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C ZINC001082448693 1089961481 /nfs/dbraw/zinc/96/14/81/1089961481.db2.gz ZDVNCYSTROFXAD-IIAWOOMASA-N 0 3 315.417 2.100 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001082685968 1090035060 /nfs/dbraw/zinc/03/50/60/1090035060.db2.gz AUGZPJZHBQNJPU-JHJVBQTASA-N 0 3 319.453 2.077 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CSC ZINC001098888180 1090095774 /nfs/dbraw/zinc/09/57/74/1090095774.db2.gz KWZOXBFWPMMGDH-CQSZACIVSA-N 0 3 314.495 2.159 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C3CC(C)(C)C3)[C@H]2C1 ZINC001083070083 1090145684 /nfs/dbraw/zinc/14/56/84/1090145684.db2.gz HRJXRIFUFZLRBV-JKSUJKDBSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@@H](O)C1 ZINC001084106868 1090201936 /nfs/dbraw/zinc/20/19/36/1090201936.db2.gz MNNAUOGFGGPYNO-OMGLFLRBSA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3oc(C)nc3C)[C@@H]2C1 ZINC001084251648 1090239686 /nfs/dbraw/zinc/23/96/86/1090239686.db2.gz VMWWUPJBTOOYBS-HUUCEWRRSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C(C)C)n(C)n3)[C@@H]2C1 ZINC001084338484 1090271425 /nfs/dbraw/zinc/27/14/25/1090271425.db2.gz SHVNHGAMUYRYTG-RHSMWYFYSA-N 0 3 316.449 2.266 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)[nH]nc3Cl)[C@@H]2C1 ZINC001084396974 1090289931 /nfs/dbraw/zinc/28/99/31/1090289931.db2.gz XPQXYZYVFULDHV-VXGBXAGGSA-N 0 3 308.813 2.094 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(F)c3)[C@@H]2C1 ZINC001084499730 1090311824 /nfs/dbraw/zinc/31/18/24/1090311824.db2.gz PRDFUSNXYXSIGD-NVXWUHKLSA-N 0 3 300.377 2.304 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3c(C)cc(C)nc3C)[C@@H]2C1 ZINC001084533851 1090321542 /nfs/dbraw/zinc/32/15/42/1090321542.db2.gz CHXWVBWCLMEIFN-IAGOWNOFSA-N 0 3 311.429 2.176 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)[C@@H]2C1 ZINC001084627870 1090355823 /nfs/dbraw/zinc/35/58/23/1090355823.db2.gz NJKBPHTUYCGBBP-NVXWUHKLSA-N 0 3 316.832 2.439 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3conc3C3CC3)[C@@H]2C1 ZINC001084654536 1090366427 /nfs/dbraw/zinc/36/64/27/1090366427.db2.gz WYJRIGCCFWDKSH-UKRRQHHQSA-N 0 3 301.390 2.274 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3csc4cncn43)[C@@H]2C1 ZINC001084697190 1090399218 /nfs/dbraw/zinc/39/92/18/1090399218.db2.gz AMRMAWISNHKBPC-CHWSQXEVSA-N 0 3 316.430 2.118 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC[C@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001084797325 1090449275 /nfs/dbraw/zinc/44/92/75/1090449275.db2.gz QJWRAFPDDDHQQJ-IXDOHACOSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)[C@@H]2C1 ZINC001084795842 1090450344 /nfs/dbraw/zinc/45/03/44/1090450344.db2.gz XIJDUBHMHPTQPT-SJLPKXTDSA-N 0 3 313.445 2.475 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)[C@@H]2C1 ZINC001084813895 1090457153 /nfs/dbraw/zinc/45/71/53/1090457153.db2.gz CEOVHZJDFWLKNI-SJLPKXTDSA-N 0 3 308.425 2.274 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)n3c(C)ccc3C)[C@@H]2C1 ZINC001084851699 1090475622 /nfs/dbraw/zinc/47/56/22/1090475622.db2.gz MZNXWGJIASQADQ-RCCFBDPRSA-N 0 3 313.445 2.222 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001099842626 1090491305 /nfs/dbraw/zinc/49/13/05/1090491305.db2.gz UEXMBWKUPFCRDY-DLBZAZTESA-N 0 3 306.450 2.272 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3ccc(F)nc3)CC2)C1=O ZINC001273241832 1090510394 /nfs/dbraw/zinc/51/03/94/1090510394.db2.gz SPMYBRCVNNLXAO-SFHVURJKSA-N 0 3 315.392 2.059 20 30 DEEDHN N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[N-]C(=O)C(F)F)s1 ZINC001085111858 1090653679 /nfs/dbraw/zinc/65/36/79/1090653679.db2.gz FTRNIUHUWFICFG-VXGBXAGGSA-N 0 3 313.373 2.402 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(CCC)cc2)CCO1 ZINC001273308717 1090912595 /nfs/dbraw/zinc/91/25/95/1090912595.db2.gz OYHIULZITSLHAI-SFHVURJKSA-N 0 3 314.429 2.093 20 30 DEEDHN CCN(CCNCc1cncc(F)c1)C(=O)C#CC(C)(C)C ZINC001273368289 1091102928 /nfs/dbraw/zinc/10/29/28/1091102928.db2.gz VGPKBWDVDTUSEM-UHFFFAOYSA-N 0 3 305.397 2.208 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301205 1091176486 /nfs/dbraw/zinc/17/64/86/1091176486.db2.gz MOPYWSYSEGLTFU-GOSISDBHSA-N 0 3 300.402 2.311 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301205 1091176489 /nfs/dbraw/zinc/17/64/89/1091176489.db2.gz MOPYWSYSEGLTFU-GOSISDBHSA-N 0 3 300.402 2.311 20 30 DEEDHN Cc1c(C(=O)NC/C=C\CNCc2cccc(C#N)c2)ccn1C ZINC001274339721 1091197311 /nfs/dbraw/zinc/19/73/11/1091197311.db2.gz PBQLYRZUISXFHO-ARJAWSKDSA-N 0 3 322.412 2.281 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(F)nc3C)C2)C1=O ZINC001274415827 1091233051 /nfs/dbraw/zinc/23/30/51/1091233051.db2.gz RTHPAVUDAZJMFK-KRWDZBQOSA-N 0 3 303.381 2.140 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ccc(N)nc1)CC2 ZINC001274545258 1091294050 /nfs/dbraw/zinc/29/40/50/1091294050.db2.gz XKPVKRMBUNPINT-UHFFFAOYSA-N 0 3 314.433 2.054 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2C[C@@H](O)c1ccccc1 ZINC001274561008 1091297941 /nfs/dbraw/zinc/29/79/41/1091297941.db2.gz IEAKUXGRJWFSSU-MJGOQNOKSA-N 0 3 314.429 2.363 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cccc(CF)n3)C2)C1=O ZINC001274604712 1091319906 /nfs/dbraw/zinc/31/99/06/1091319906.db2.gz WSZYGYSILDOWRE-KRWDZBQOSA-N 0 3 303.381 2.162 20 30 DEEDHN Cc1cccnc1CN1CC[C@H](NC(=O)C#CC2CC2)C[C@H]1C ZINC001274624899 1091332918 /nfs/dbraw/zinc/33/29/18/1091332918.db2.gz SVSXVJBZOFMKSA-WBVHZDCISA-N 0 3 311.429 2.273 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cncc2cnccc21 ZINC001274660446 1091355265 /nfs/dbraw/zinc/35/52/65/1091355265.db2.gz LSSNIBXNBYIUHE-QZTJIDSGSA-N 0 3 322.412 2.381 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN[C@H](C)C(=O)Nc1ccccc1C ZINC001274702246 1091378951 /nfs/dbraw/zinc/37/89/51/1091378951.db2.gz ROJPKKMDDFHGRO-HUUCEWRRSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2ccc(OC)nc2)C1 ZINC001274913233 1091473378 /nfs/dbraw/zinc/47/33/78/1091473378.db2.gz MDCBDGLLGAVEIS-CYBMUJFWSA-N 0 3 303.406 2.041 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cn(C)nc1C1CCC1 ZINC001275122344 1091571551 /nfs/dbraw/zinc/57/15/51/1091571551.db2.gz YVFKLNYMMSJOBK-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CNCc2cnc(C)s2)cc1 ZINC001275259577 1091640173 /nfs/dbraw/zinc/64/01/73/1091640173.db2.gz WSNBYGUZFODLHV-LBPRGKRZSA-N 0 3 313.426 2.341 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1noc(C)c1C(=O)OCC ZINC001307730406 1091655074 /nfs/dbraw/zinc/65/50/74/1091655074.db2.gz YVIHUGZYPBNBFC-UHFFFAOYSA-N 0 3 309.410 2.099 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccc(OC)nn1 ZINC001134470596 1091656874 /nfs/dbraw/zinc/65/68/74/1091656874.db2.gz RFHBIVXKTLRZTK-ZIAGYGMSSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC1CCCCC1 ZINC001275461344 1091769258 /nfs/dbraw/zinc/76/92/58/1091769258.db2.gz OSCNYSYUUVMKDO-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)Cc3cccs3)C[C@]2(C)C1 ZINC001092061053 1091781355 /nfs/dbraw/zinc/78/13/55/1091781355.db2.gz ITTCYIPOIAXOKX-DAYGRLMNSA-N 0 3 316.470 2.340 20 30 DEEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(COCCOC)C2 ZINC001273494635 1091883589 /nfs/dbraw/zinc/88/35/89/1091883589.db2.gz BWBKEKSAVMGVPM-SFHVURJKSA-N 0 3 324.465 2.420 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)Oc1ccccc1F ZINC001273514066 1091894141 /nfs/dbraw/zinc/89/41/41/1091894141.db2.gz DFEDVLSIPPTBLB-AWEZNQCLSA-N 0 3 306.381 2.007 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cncn1-c1ccccc1 ZINC001273524041 1091901415 /nfs/dbraw/zinc/90/14/15/1091901415.db2.gz LBXMRLAZXOFKHG-UHFFFAOYSA-N 0 3 324.428 2.290 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)OCc1ccccc1 ZINC001273565935 1091925898 /nfs/dbraw/zinc/92/58/98/1091925898.db2.gz MJXNUMSIBBINDR-MRXNPFEDSA-N 0 3 302.418 2.005 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000948804620 1091945594 /nfs/dbraw/zinc/94/55/94/1091945594.db2.gz PIVRSRUGKLTGND-QGZVFWFLSA-N 0 3 312.413 2.181 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2coc(C3CC3)n2)CC1 ZINC000948836375 1091961562 /nfs/dbraw/zinc/96/15/62/1091961562.db2.gz DMSQLFOXXPAHIN-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(CC#CC)CC1 ZINC000948852725 1091966844 /nfs/dbraw/zinc/96/68/44/1091966844.db2.gz UZWAOAQFXYJLJM-SQNIBIBYSA-N 0 3 318.461 2.304 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnn(CC)c2C)CC1 ZINC000948881695 1091978931 /nfs/dbraw/zinc/97/89/31/1091978931.db2.gz AGQHHWANQMIREC-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(C)CC[NH2+]C1(CC)CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001273763530 1092038196 /nfs/dbraw/zinc/03/81/96/1092038196.db2.gz YRYKCFIRJOZSQV-UHFFFAOYSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(F)cc3OC)C2)C1=O ZINC001273769128 1092042173 /nfs/dbraw/zinc/04/21/73/1092042173.db2.gz BDOMRSVACHJTPH-GOSISDBHSA-N 0 3 318.392 2.445 20 30 DEEDHN C#CCOC[C@H](O)CNCc1cc(C(F)(F)F)ccc1Cl ZINC001251881601 1092046275 /nfs/dbraw/zinc/04/62/75/1092046275.db2.gz XZOJVOUTEIJXDA-GFCCVEGCSA-N 0 3 321.726 2.459 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C(C)(C)c1ccccc1OC ZINC001273783616 1092047522 /nfs/dbraw/zinc/04/75/22/1092047522.db2.gz LRBPMDMQLFOAPX-UHFFFAOYSA-N 0 3 316.445 2.434 20 30 DEEDHN C=CCC1(C(=O)N(CC)CCNCc2ccnn2C)CCCC1 ZINC001273784057 1092048212 /nfs/dbraw/zinc/04/82/12/1092048212.db2.gz UDDZNKPLBINDCJ-UHFFFAOYSA-N 0 3 318.465 2.495 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC[C@@H](F)C1)CCO2 ZINC000949095865 1092049084 /nfs/dbraw/zinc/04/90/84/1092049084.db2.gz ZLJIRTFGHXGWBQ-HZPDHXFCSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2CCC(=O)OC(C)(C)C ZINC001273787425 1092050469 /nfs/dbraw/zinc/05/04/69/1092050469.db2.gz AJGDBYWUBOPCBK-SFHVURJKSA-N 0 3 322.449 2.361 20 30 DEEDHN C=CCCN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000949181771 1092063068 /nfs/dbraw/zinc/06/30/68/1092063068.db2.gz CQQCBVAEMAOURG-UHFFFAOYSA-N 0 3 310.401 2.411 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@@H](C)C1)CCO2 ZINC000949204718 1092070694 /nfs/dbraw/zinc/07/06/94/1092070694.db2.gz KLBPSFPXOSAESD-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C3CCC3)CC2)C1 ZINC000949273813 1092087861 /nfs/dbraw/zinc/08/78/61/1092087861.db2.gz WGWNMERLUAKJSA-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001275845199 1092218392 /nfs/dbraw/zinc/21/83/92/1092218392.db2.gz PGNCHOMBVCMLGJ-ZDUSSCGKSA-N 0 3 303.406 2.271 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001487805749 1092222621 /nfs/dbraw/zinc/22/26/21/1092222621.db2.gz RAJZTMKUZSANRD-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCN1CC2(C1)CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)C2 ZINC001275978375 1092427646 /nfs/dbraw/zinc/42/76/46/1092427646.db2.gz MWDZFTWXGAIZQA-ZWKOTPCHSA-N 0 3 323.440 2.283 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CN(CC)CC)[C@@H]1C ZINC001488260297 1092456159 /nfs/dbraw/zinc/45/61/59/1092456159.db2.gz OPIVEKJPIWNUIT-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@](CO)(NC/C=C\Cl)C1 ZINC001273885618 1092479534 /nfs/dbraw/zinc/47/95/34/1092479534.db2.gz PONHZNHEWKMSIH-UVCVVPOWSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)/C=C\c2ccco2)CCOCC1 ZINC001273944177 1092529600 /nfs/dbraw/zinc/52/96/00/1092529600.db2.gz RXHHWSKJQYXWJM-PLNGDYQASA-N 0 3 324.808 2.300 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001273949565 1092734159 /nfs/dbraw/zinc/73/41/59/1092734159.db2.gz ZNOKYVYGMIYEPZ-NSCUHMNNSA-N 0 3 308.385 2.271 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)COCCCC)C(C)(C)[C@H]21 ZINC001489081616 1092906105 /nfs/dbraw/zinc/90/61/05/1092906105.db2.gz KLQXSIAWZJKPJK-OIISXLGYSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)CCCF)CC2)C1 ZINC001489222737 1092970131 /nfs/dbraw/zinc/97/01/31/1092970131.db2.gz KVLVACQKKVPOFN-MRXNPFEDSA-N 0 3 312.429 2.252 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1c(C)cc(F)cc1C ZINC001489216501 1092976914 /nfs/dbraw/zinc/97/69/14/1092976914.db2.gz SQZNUPDFNHETAL-UHFFFAOYSA-N 0 3 320.408 2.096 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccnc(OC)c1 ZINC001489323478 1093019279 /nfs/dbraw/zinc/01/92/79/1093019279.db2.gz ULZRRUSCMKORHB-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@@H]1CC ZINC001490000478 1093182864 /nfs/dbraw/zinc/18/28/64/1093182864.db2.gz RQUHDFRJWNXNRD-XHSDSOJGSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H](C)Oc1ccccc1)C1CC1 ZINC001490394396 1093343803 /nfs/dbraw/zinc/34/38/03/1093343803.db2.gz ULVQZXTXGUYWSU-OAHLLOKOSA-N 0 3 300.402 2.058 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001495370950 1093379822 /nfs/dbraw/zinc/37/98/22/1093379822.db2.gz NJFWYPDSPIOVMX-OAHLLOKOSA-N 0 3 324.856 2.244 20 30 DEEDHN CO[C@@H](CN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CCC1 ZINC001490437219 1093383148 /nfs/dbraw/zinc/38/31/48/1093383148.db2.gz QHFCMFJHMQPJNF-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN Cc1cncc(CN2CCC3(C[C@H]3NC(=O)C#CC3CC3)CC2)c1 ZINC001490589124 1093434163 /nfs/dbraw/zinc/43/41/63/1093434163.db2.gz BLXCDTFJENKUKC-GOSISDBHSA-N 0 3 323.440 2.274 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(C(F)F)CCC2)CC1 ZINC001490601276 1093441109 /nfs/dbraw/zinc/44/11/09/1093441109.db2.gz PSYNFBOZRNLPOF-CYBMUJFWSA-N 0 3 310.388 2.416 20 30 DEEDHN N#CCCCCN1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)(F)F ZINC001274044006 1093781317 /nfs/dbraw/zinc/78/13/17/1093781317.db2.gz XOSZIJHTLCVBKV-VXGBXAGGSA-N 0 3 303.328 2.308 20 30 DEEDHN N#CCCCN1CC[C@]2(CC[N@@H+](Cc3occc3[S-])C2)C1=O ZINC001274177996 1093837211 /nfs/dbraw/zinc/83/72/11/1093837211.db2.gz NCXNKBMLPRHBCX-INIZCTEOSA-N 0 3 319.430 2.296 20 30 DEEDHN N#CCCCN1CC[C@]2(CC[N@H+](Cc3occc3[S-])C2)C1=O ZINC001274177996 1093837216 /nfs/dbraw/zinc/83/72/16/1093837216.db2.gz NCXNKBMLPRHBCX-INIZCTEOSA-N 0 3 319.430 2.296 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cnc2c(F)cccc2c1 ZINC001274214860 1093853754 /nfs/dbraw/zinc/85/37/54/1093853754.db2.gz ZOQZQEVMLDPYGK-SNAWJCMRSA-N 0 3 311.360 2.273 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc4c[nH]nc4c3)CC2)C1=O ZINC001274224972 1093860415 /nfs/dbraw/zinc/86/04/15/1093860415.db2.gz IPGHUHZIQXMOTR-UHFFFAOYSA-N 0 3 322.412 2.011 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](N[C@@H](C)c3cnccn3)C2)C1 ZINC001691740558 1138261537 /nfs/dbraw/zinc/26/15/37/1138261537.db2.gz YKAKHCMUUOPGNS-SOUVJXGZSA-N 0 3 314.433 2.378 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C#CC3CC3)C[C@@H]2C1 ZINC001276830517 1138329421 /nfs/dbraw/zinc/32/94/21/1138329421.db2.gz OXCANOXZZLBCGH-XHSDSOJGSA-N 0 3 306.837 2.369 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235798110 1138332876 /nfs/dbraw/zinc/33/28/76/1138332876.db2.gz RMIZIBCPWCAYJW-HNNXBMFYSA-N 0 3 304.438 2.035 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001277994248 1138391256 /nfs/dbraw/zinc/39/12/56/1138391256.db2.gz FRYHNUPRCLXSBW-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2cn(C)c3ccc(C#N)cc23)CC12CC2 ZINC001237473043 1138647624 /nfs/dbraw/zinc/64/76/24/1138647624.db2.gz YYYYPUYLUAXWAX-MRXNPFEDSA-N 0 3 323.396 2.435 20 30 DEEDHN C#CCN(C(=O)c1ccc(F)cn1)C1CCN(CC(=C)C)CC1 ZINC001278144990 1138786432 /nfs/dbraw/zinc/78/64/32/1138786432.db2.gz VQOFBGZEEDFEEZ-UHFFFAOYSA-N 0 3 315.392 2.337 20 30 DEEDHN C#CCN(C(=O)[C@@H](OCC)C1CC1)C1CCN(CC(=C)C)CC1 ZINC001278150733 1138800817 /nfs/dbraw/zinc/80/08/17/1138800817.db2.gz ACIBSHIFXDVQJP-SFHVURJKSA-N 0 3 318.461 2.304 20 30 DEEDHN N#CCC1CN(C(=O)[C@H]2CC23CN(CCCc2ccccc2)C3)C1 ZINC001278198496 1138831723 /nfs/dbraw/zinc/83/17/23/1138831723.db2.gz CSCPORCPXNVAFV-GOSISDBHSA-N 0 3 323.440 2.313 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C#CC1CC1 ZINC001278252517 1138858390 /nfs/dbraw/zinc/85/83/90/1138858390.db2.gz VYJTXAUYHIVTOD-APWZRJJASA-N 0 3 306.409 2.031 20 30 DEEDHN COc1ncc(-c2ccc(CN3CCN(C)CC3)cc2)cc1C#N ZINC001240401705 1139359204 /nfs/dbraw/zinc/35/92/04/1139359204.db2.gz AJKCLBVNZHWAAO-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(C)F ZINC001278335501 1139849477 /nfs/dbraw/zinc/84/94/77/1139849477.db2.gz NLEPDLAMSDZSDO-HOCLYGCPSA-N 0 3 302.393 2.365 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001297419696 1139868517 /nfs/dbraw/zinc/86/85/17/1139868517.db2.gz BVCWZNWYSDDMPB-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001298127221 1140005441 /nfs/dbraw/zinc/00/54/41/1140005441.db2.gz DUZOLAGQHIOGJP-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)C(C)(C)c1ccccc1OC ZINC001491699404 1140261725 /nfs/dbraw/zinc/26/17/25/1140261725.db2.gz QTFGXEHUQVHPBF-CQSZACIVSA-N 0 3 302.418 2.090 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001491729221 1140289114 /nfs/dbraw/zinc/28/91/14/1140289114.db2.gz GNKSTZAAUQOUCL-INIZCTEOSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001318446308 1140333935 /nfs/dbraw/zinc/33/39/35/1140333935.db2.gz UQTTTXSQNMPNFC-CVEARBPZSA-N 0 3 304.438 2.170 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001318480260 1140344801 /nfs/dbraw/zinc/34/48/01/1140344801.db2.gz VDKKKAFCGPNQHT-QGZVFWFLSA-N 0 3 324.428 2.052 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001318569659 1140367117 /nfs/dbraw/zinc/36/71/17/1140367117.db2.gz ILNNUFJYGBKGLT-STQMWFEESA-N 0 3 319.453 2.269 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001278385048 1140386331 /nfs/dbraw/zinc/38/63/31/1140386331.db2.gz PWGXWFNBGKNLKD-RDJZCZTQSA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2cccc(OC)c2)C1 ZINC001278390142 1140475605 /nfs/dbraw/zinc/47/56/05/1140475605.db2.gz DSJSLWYBSYHBGK-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC001318999851 1140488804 /nfs/dbraw/zinc/48/88/04/1140488804.db2.gz DVJVIAIEQAEDGA-QAPCUYQASA-N 0 3 314.429 2.088 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001278394683 1140516418 /nfs/dbraw/zinc/51/64/18/1140516418.db2.gz CYHHHGUYFABWNR-GOSISDBHSA-N 0 3 318.465 2.146 20 30 DEEDHN Cc1cnc(CNC[C@H](C)CNC(=O)C#CC(C)(C)C)s1 ZINC001319185933 1140520308 /nfs/dbraw/zinc/52/03/08/1140520308.db2.gz NVTGERACPXNSLH-LBPRGKRZSA-N 0 3 307.463 2.343 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)c1ccncc1 ZINC001319419201 1140567039 /nfs/dbraw/zinc/56/70/39/1140567039.db2.gz ZLJKKNXUKCCURY-MRXNPFEDSA-N 0 3 307.397 2.183 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](CNCc1cncs1)CC(C)C ZINC001319610349 1140624320 /nfs/dbraw/zinc/62/43/20/1140624320.db2.gz SJFYJWQDBFQNNR-CQSZACIVSA-N 0 3 307.463 2.423 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001319673226 1140654396 /nfs/dbraw/zinc/65/43/96/1140654396.db2.gz JRKDRUXWTHXBCV-GOEBONIOSA-N 0 3 318.417 2.035 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C ZINC001319911722 1140802182 /nfs/dbraw/zinc/80/21/82/1140802182.db2.gz UNWVCCNZQOSMIS-FZMZJTMJSA-N 0 3 323.264 2.363 20 30 DEEDHN CN(CCN(C)C(=O)C#CC1CC1)Cc1ccc2cc[nH]c2c1 ZINC001320000572 1140811290 /nfs/dbraw/zinc/81/12/90/1140811290.db2.gz ULSQFMVUTZQZDV-UHFFFAOYSA-N 0 3 309.413 2.472 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cn(C)nc1-c1ccco1 ZINC001319999858 1140811502 /nfs/dbraw/zinc/81/15/02/1140811502.db2.gz MXEQECXDBYCRCY-UHFFFAOYSA-N 0 3 316.405 2.260 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2conc2C)C1 ZINC001320096451 1140820846 /nfs/dbraw/zinc/82/08/46/1140820846.db2.gz 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/nfs/dbraw/zinc/30/57/01/1141305701.db2.gz FLNBLDSGCDRIAP-DOMZBBRYSA-N 0 3 324.346 2.317 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CNCC(=O)N1CCCCCCC1 ZINC001321628064 1141318878 /nfs/dbraw/zinc/31/88/78/1141318878.db2.gz NEGVHTRGUDQIOQ-MRXNPFEDSA-N 0 3 323.481 2.230 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1oc2ccccc2c1C ZINC001321731698 1141334418 /nfs/dbraw/zinc/33/44/18/1141334418.db2.gz KFDIUZAFMANVIG-CYBMUJFWSA-N 0 3 314.385 2.099 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)C)cc1 ZINC001322146263 1141408816 /nfs/dbraw/zinc/40/88/16/1141408816.db2.gz HDQOVBQMWLZCOS-OAHLLOKOSA-N 0 3 302.418 2.291 20 30 DEEDHN C=CCCNC(=S)NCC1CCN(Cc2ccccn2)CC1 ZINC001247680254 1141415519 /nfs/dbraw/zinc/41/55/19/1141415519.db2.gz UNPJXQRFQIBNPA-UHFFFAOYSA-N 0 3 318.490 2.334 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001323273737 1141835498 /nfs/dbraw/zinc/83/54/98/1141835498.db2.gz SMHULVMZSYFFRL-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN N#Cc1ccccc1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248931511 1141836032 /nfs/dbraw/zinc/83/60/32/1141836032.db2.gz ISCRLJSBZUSZAF-UHFFFAOYSA-N 0 3 317.352 2.240 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001323293734 1141838865 /nfs/dbraw/zinc/83/88/65/1141838865.db2.gz OBJNFDCZUZFRNO-IRXDYDNUSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001323307758 1141840646 /nfs/dbraw/zinc/84/06/46/1141840646.db2.gz GLXHCQQAYPFNFQ-DOTOQJQBSA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001323309226 1141840678 /nfs/dbraw/zinc/84/06/78/1141840678.db2.gz MQHJHJSSXOFFSJ-CABCVRRESA-N 0 3 304.438 2.370 20 30 DEEDHN N#Cc1ccn2ncc(CN3CCC4(C[C@H]4CCO)CC3)c2c1 ZINC001249086500 1141848635 /nfs/dbraw/zinc/84/86/35/1141848635.db2.gz FZKBFWZUEAENPA-MRXNPFEDSA-N 0 3 310.401 2.190 20 30 DEEDHN O=C(C#CC1CC1)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001323438016 1141853780 /nfs/dbraw/zinc/85/37/80/1141853780.db2.gz QHSBMBBDGNOYPU-UHFFFAOYSA-N 0 3 300.377 2.308 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001323608221 1141869256 /nfs/dbraw/zinc/86/92/56/1141869256.db2.gz SDCNSFKJKCUMSC-MRXNPFEDSA-N 0 3 314.429 2.068 20 30 DEEDHN C#CCCCCC(=O)N1CCC(N(CC#CC)CCOC)CC1 ZINC001323746024 1141882861 /nfs/dbraw/zinc/88/28/61/1141882861.db2.gz GRFCJCUIKRLETI-UHFFFAOYSA-N 0 3 318.461 2.143 20 30 DEEDHN C#CCN(C(=O)C1CCOCC1)C1CCN(CC=C(C)C)CC1 ZINC001324352711 1142060182 /nfs/dbraw/zinc/06/01/82/1142060182.db2.gz IJTZBOTWEFXNDG-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C1CCN(CCOC)CC1 ZINC001324397897 1142070401 /nfs/dbraw/zinc/07/04/01/1142070401.db2.gz VNRAJDIFWRLCRF-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCC(=O)N[C@H](CNCc1cnn(C)c1)C1CCCC1 ZINC001324452131 1142080434 /nfs/dbraw/zinc/08/04/34/1142080434.db2.gz CJDUYJHRPBWSPY-MRXNPFEDSA-N 0 3 304.438 2.151 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001278566440 1142184017 /nfs/dbraw/zinc/18/40/17/1142184017.db2.gz XOVJHVZKRUSHJZ-CABCVRRESA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)C1CCN(C)CC1 ZINC001336309979 1142405615 /nfs/dbraw/zinc/40/56/15/1142405615.db2.gz VACCXZSNUCEYGV-YUELXQCFSA-N 0 3 310.388 2.224 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)C2=CCCCCC2)CC1(C)C ZINC001278634069 1142427359 /nfs/dbraw/zinc/42/73/59/1142427359.db2.gz CNPYVNOMSKAJIC-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)COc2ccccc2F)CC1 ZINC001278636716 1142500193 /nfs/dbraw/zinc/50/01/93/1142500193.db2.gz FWSHFPPGWXCLFN-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C=CCOC[C@H](O)CNCc1ccc(Br)cc1F ZINC001252451478 1142717228 /nfs/dbraw/zinc/71/72/28/1142717228.db2.gz QZIGYIFXXCQPRW-GFCCVEGCSA-N 0 3 318.186 2.241 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001252596132 1142777085 /nfs/dbraw/zinc/77/70/85/1142777085.db2.gz OUBXUBZUWOCUAT-ILXRZTDVSA-N 0 3 310.438 2.255 20 30 DEEDHN C=CCC[C@H](O)CN1CCO[C@]2(CCC[C@H]2COCC=C)C1 ZINC001252598189 1142780729 /nfs/dbraw/zinc/78/07/29/1142780729.db2.gz KUBXMLIQTFLUIL-OKZBNKHCSA-N 0 3 309.450 2.387 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H](C)C2CCCC2)CC1(C)C ZINC001278676321 1142804902 /nfs/dbraw/zinc/80/49/02/1142804902.db2.gz DTXRLBHSUHCEGE-NVXWUHKLSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCCCCC[C@@H](O)CNC1CN(c2ncccn2)C1 ZINC001253251732 1142857102 /nfs/dbraw/zinc/85/71/02/1142857102.db2.gz NORATDVHFLSADM-MRXNPFEDSA-N 0 3 304.438 2.142 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)CCOCc2ccccc2)o1 ZINC001253293389 1142861954 /nfs/dbraw/zinc/86/19/54/1142861954.db2.gz FCVJOIMXCXWBMD-OAHLLOKOSA-N 0 3 300.358 2.209 20 30 DEEDHN CC(C)(C)OC[C@@H](O)CNC(=N)c1ccc2ccccc2n1 ZINC001253480086 1142876038 /nfs/dbraw/zinc/87/60/38/1142876038.db2.gz XBNCEBMQPRKDBP-ZDUSSCGKSA-N 0 3 301.390 2.116 20 30 DEEDHN CC[C@H](C)N1CCN(c2nnc(CCCCC#N)n2CC)CC1 ZINC001339312693 1143010913 /nfs/dbraw/zinc/01/09/13/1143010913.db2.gz QCADPHMINIQYPA-HNNXBMFYSA-N 0 3 318.469 2.455 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1CCN([C@H](C)CC)CC1 ZINC001339571362 1143056278 /nfs/dbraw/zinc/05/62/78/1143056278.db2.gz XVSVWGHDVLDHSK-OAHLLOKOSA-N 0 3 316.453 2.231 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC001340409957 1143340170 /nfs/dbraw/zinc/34/01/70/1143340170.db2.gz RXRICZVKRRDKJG-ZDUSSCGKSA-N 0 3 301.394 2.475 20 30 DEEDHN N#Cc1ccnc(N2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC001255028113 1143387481 /nfs/dbraw/zinc/38/74/81/1143387481.db2.gz RVRATUUCHGKWTN-UHFFFAOYSA-N 0 3 304.397 2.243 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)CCn2cccn2)CCCC1 ZINC001329627431 1148949123 /nfs/dbraw/zinc/94/91/23/1148949123.db2.gz FUXVTGMGOUJXTO-MRXNPFEDSA-N 0 3 318.465 2.456 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC001340772829 1143437193 /nfs/dbraw/zinc/43/71/93/1143437193.db2.gz DHHNACZRQOCFOU-KRWDZBQOSA-N 0 3 317.433 2.027 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC001340916199 1143492050 /nfs/dbraw/zinc/49/20/50/1143492050.db2.gz IQVQJAXIQXEFNB-HOTGVXAUSA-N 0 3 314.433 2.076 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCOC[C@@H]1c1ccc(OC)cc1 ZINC001340924333 1143496370 /nfs/dbraw/zinc/49/63/70/1143496370.db2.gz ATGJFSPUPYVZTF-IAGOWNOFSA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001341347723 1143587443 /nfs/dbraw/zinc/58/74/43/1143587443.db2.gz ZLFTXQQDDFYGMQ-GFCCVEGCSA-N 0 3 305.353 2.333 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc(Cl)cc2c1OCC2 ZINC001341386581 1143593054 /nfs/dbraw/zinc/59/30/54/1143593054.db2.gz SOWGXVVCXLKSSN-YGRLFVJLSA-N 0 3 321.808 2.473 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC001341446936 1143604712 /nfs/dbraw/zinc/60/47/12/1143604712.db2.gz SOXPAMRLMWLWQG-SJORKVTESA-N 0 3 312.417 2.424 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001341471536 1143609372 /nfs/dbraw/zinc/60/93/72/1143609372.db2.gz FJTDSIVRQNLJEJ-IRXDYDNUSA-N 0 3 313.401 2.142 20 30 DEEDHN C[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC001341942112 1143747903 /nfs/dbraw/zinc/74/79/03/1143747903.db2.gz FIHLGFNEBFFINA-CJNGLKHVSA-N 0 3 303.406 2.241 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)COC1 ZINC001342034856 1143774180 /nfs/dbraw/zinc/77/41/80/1143774180.db2.gz JVCLIFRNJIMXKI-CQSZACIVSA-N 0 3 300.358 2.459 20 30 DEEDHN C=CCOCc1nnc(N2CCN([C@@H](C)CC)CC2)n1CC=C ZINC001342232697 1143805446 /nfs/dbraw/zinc/80/54/46/1143805446.db2.gz MYEBQWGYXPTIKL-HNNXBMFYSA-N 0 3 319.453 2.087 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](CF)C1 ZINC001342259525 1143807155 /nfs/dbraw/zinc/80/71/55/1143807155.db2.gz PBNJPZOQXDYQSS-HUUCEWRRSA-N 0 3 321.444 2.459 20 30 DEEDHN C=CCN1CCC[C@H]1CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC001255805941 1143807242 /nfs/dbraw/zinc/80/72/42/1143807242.db2.gz ZTJNPXSLQKKBMI-HOTGVXAUSA-N 0 3 322.474 2.089 20 30 DEEDHN C=C[C@H](COC)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001342731148 1143832983 /nfs/dbraw/zinc/83/29/83/1143832983.db2.gz DTONCOBICFBLLQ-JQHSSLGASA-N 0 3 304.434 2.067 20 30 DEEDHN COc1ccc(CNC(=O)[C@@H](N)CCCCC#N)c(C)c1OC ZINC001342733566 1143833169 /nfs/dbraw/zinc/83/31/69/1143833169.db2.gz YJOHRLLBBWMFSF-AWEZNQCLSA-N 0 3 319.405 2.040 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CCc1cnccn1)C(C)C ZINC001278926123 1143840787 /nfs/dbraw/zinc/84/07/87/1143840787.db2.gz BGTUBPFVCSPZPB-UHFFFAOYSA-N 0 3 304.438 2.154 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1coc(CC2CC2)n1)C(C)C ZINC001278926754 1143841664 /nfs/dbraw/zinc/84/16/64/1143841664.db2.gz YAJRLWHNITYALH-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ncc2n1CCCC2)C(C)C ZINC001278930184 1143842842 /nfs/dbraw/zinc/84/28/42/1143842842.db2.gz XOCVNHUCUHBOBY-UHFFFAOYSA-N 0 3 304.438 2.188 20 30 DEEDHN C[C@@H]1C[C@H](N2CCC(=O)[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC001256553492 1143853711 /nfs/dbraw/zinc/85/37/11/1143853711.db2.gz HSMRWXFEANHIIO-KBAYOESNSA-N 0 3 311.429 2.454 20 30 DEEDHN C=CCCCC(=O)N[C@@H](CNCc1cnn(C)c1)C(C)(C)C ZINC001278995127 1143889836 /nfs/dbraw/zinc/88/98/36/1143889836.db2.gz AYHLBFBBXIZWGS-HNNXBMFYSA-N 0 3 306.454 2.397 20 30 DEEDHN C=CCC[C@H](C)N1CCc2onc(CN3CCOCC3)c2C1 ZINC001258729202 1144036676 /nfs/dbraw/zinc/03/66/76/1144036676.db2.gz UOUPODWECBAMPN-AWEZNQCLSA-N 0 3 305.422 2.220 20 30 DEEDHN CC[C@H](Cc1ccccc1)N1CCN(c2nccnc2C#N)CC1 ZINC001258852187 1144047042 /nfs/dbraw/zinc/04/70/42/1144047042.db2.gz ZWJOCPOEWARLER-QGZVFWFLSA-N 0 3 321.428 2.492 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)c1ccccc1Br ZINC001261436947 1144247543 /nfs/dbraw/zinc/24/75/43/1144247543.db2.gz POBREPWUSKMANJ-GWCFXTLKSA-N 0 3 300.196 2.273 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccncc2)C1 ZINC001261695891 1144268359 /nfs/dbraw/zinc/26/83/59/1144268359.db2.gz SEMSVKWCZXBADO-MSOLQXFVSA-N 0 3 311.429 2.422 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001263084386 1144354256 /nfs/dbraw/zinc/35/42/56/1144354256.db2.gz RQBCVVXZCDYULZ-HNNXBMFYSA-N 0 3 303.362 2.163 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC001263091311 1144354949 /nfs/dbraw/zinc/35/49/49/1144354949.db2.gz JXQDIEJPSUEZIZ-XIRDDKMYSA-N 0 3 304.434 2.341 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1noc(-c2ccccc2C)n1 ZINC001263117893 1144357310 /nfs/dbraw/zinc/35/73/10/1144357310.db2.gz NZJQRRSWANBFFX-AWEZNQCLSA-N 0 3 314.389 2.345 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)c1ccc[nH]1 ZINC001263824282 1144402863 /nfs/dbraw/zinc/40/28/63/1144402863.db2.gz GEAKSFJBADXBOY-CALCHBBNSA-N 0 3 307.397 2.164 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)COC(C)C)C(C)(C)[C@H]21 ZINC001264029541 1144444548 /nfs/dbraw/zinc/44/45/48/1144444548.db2.gz FQXKWZWUCMPLEM-PVAVHDDUSA-N 0 3 306.450 2.040 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001264032394 1144445429 /nfs/dbraw/zinc/44/54/29/1144445429.db2.gz KZTCARPASBFCJZ-UYKHWUKPSA-N 0 3 324.852 2.110 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001264140708 1144483837 /nfs/dbraw/zinc/48/38/37/1144483837.db2.gz QFGAWQIDJOLMHN-RYRKJORJSA-N 0 3 314.429 2.112 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001264373098 1144517386 /nfs/dbraw/zinc/51/73/86/1144517386.db2.gz RPQYBKBXWRPTAD-MRXNPFEDSA-N 0 3 314.433 2.467 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001264390362 1144526289 /nfs/dbraw/zinc/52/62/89/1144526289.db2.gz QSGXIZNIQFCLDG-UHIISALHSA-N 0 3 321.248 2.117 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001264428916 1144538217 /nfs/dbraw/zinc/53/82/17/1144538217.db2.gz AJOZNXDXZMBLKA-ATGSNQNLSA-N 0 3 319.453 2.261 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3(COC)CC3)C2)CC1 ZINC001264495915 1144548244 /nfs/dbraw/zinc/54/82/44/1144548244.db2.gz RPUJNIIEBRJWPI-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C=CC(C)(C)C)n1 ZINC001264580543 1144569797 /nfs/dbraw/zinc/56/97/97/1144569797.db2.gz YKDQUUGAYPANDI-VOTSOKGWSA-N 0 3 318.421 2.066 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001264640185 1144584848 /nfs/dbraw/zinc/58/48/48/1144584848.db2.gz MHDSMVOHYGHFHO-CVEARBPZSA-N 0 3 320.458 2.231 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001280821855 1144587035 /nfs/dbraw/zinc/58/70/35/1144587035.db2.gz KZWUDVLJQGZBSA-UHFFFAOYSA-N 0 3 310.829 2.043 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001264693776 1144596197 /nfs/dbraw/zinc/59/61/97/1144596197.db2.gz XWWSDEHYJRRDNC-WBVHZDCISA-N 0 3 302.418 2.277 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc2cccn2cn1 ZINC001264741816 1144604565 /nfs/dbraw/zinc/60/45/65/1144604565.db2.gz RSCNTTBLMIKXSH-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(C)cc(OC)c1C ZINC001265007114 1144623539 /nfs/dbraw/zinc/62/35/39/1144623539.db2.gz DKVIKZDNYYQYQU-UHFFFAOYSA-N 0 3 302.418 2.387 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCc1cccc(OC)c1 ZINC001265011385 1144624509 /nfs/dbraw/zinc/62/45/09/1144624509.db2.gz LYTWKZAAAOASJJ-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)CCc1ccc(C)s1 ZINC001265077646 1144638443 /nfs/dbraw/zinc/63/84/43/1144638443.db2.gz QUGIZTZHFMGLCQ-UHFFFAOYSA-N 0 3 322.474 2.077 20 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/nfs/dbraw/zinc/75/66/72/1144756672.db2.gz JMTGNZTWJKKVNI-AWEZNQCLSA-N 0 3 304.821 2.405 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCc2ccc(OC)cc2)C1 ZINC001265928833 1144760274 /nfs/dbraw/zinc/76/02/74/1144760274.db2.gz RWZYNXAHUUBECZ-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001265961991 1144771399 /nfs/dbraw/zinc/77/13/99/1144771399.db2.gz NKKCPHMRYBVZRE-LJQANCHMSA-N 0 3 314.429 2.154 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC001266117445 1144807328 /nfs/dbraw/zinc/80/73/28/1144807328.db2.gz TXDNUXLXIQIPHC-MRXNPFEDSA-N 0 3 302.422 2.024 20 30 DEEDHN C[C@H](CCNC(=O)C#CC1CC1)NCc1c(F)cccc1F ZINC001266144338 1144809397 /nfs/dbraw/zinc/80/93/97/1144809397.db2.gz PXPRBWHCDPDKCH-GFCCVEGCSA-N 0 3 306.356 2.363 20 30 DEEDHN C#CCN(CCCNC(=O)CO[C@H]1CCC[C@H](C)C1)C1CC1 ZINC001266161788 1144810803 /nfs/dbraw/zinc/81/08/03/1144810803.db2.gz GFQGXJJSCOTEEY-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H]1CCO[C@@H](C(C)C)C1)C1CC1 ZINC001266169313 1144811340 /nfs/dbraw/zinc/81/13/40/1144811340.db2.gz XGSCNVYJLYQVQE-DOTOQJQBSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN(CCCNC(=O)CCc1ccccc1F)C1CC1 ZINC001266174652 1144811583 /nfs/dbraw/zinc/81/15/83/1144811583.db2.gz PIFHSRITAFPCCF-UHFFFAOYSA-N 0 3 302.393 2.362 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@]1(C)CCOC1 ZINC001279317737 1144820643 /nfs/dbraw/zinc/82/06/43/1144820643.db2.gz DLTPDKREAKDISK-IBGZPJMESA-N 0 3 314.429 2.055 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccnnc1 ZINC001280333161 1144835975 /nfs/dbraw/zinc/83/59/75/1144835975.db2.gz HYARBQUUYRRCDN-UHFFFAOYSA-N 0 3 310.401 2.415 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2scnc2C)CC1 ZINC001280710815 1144850235 /nfs/dbraw/zinc/85/02/35/1144850235.db2.gz SHLQRLUPZBXAOE-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2)CC1 ZINC001280744902 1144852332 /nfs/dbraw/zinc/85/23/32/1144852332.db2.gz PNXPTHBONDTKSL-QGZVFWFLSA-N 0 3 302.393 2.362 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC001280760835 1144853574 /nfs/dbraw/zinc/85/35/74/1144853574.db2.gz SMPVRERBHQFUBE-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001280814297 1144858061 /nfs/dbraw/zinc/85/80/61/1144858061.db2.gz LKNUGDLSOMHZPH-UHFFFAOYSA-N 0 3 316.298 2.270 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCn2cccn2)CC1(C)C ZINC001281551918 1144896610 /nfs/dbraw/zinc/89/66/10/1144896610.db2.gz FVXQMJGXALACGZ-HNNXBMFYSA-N 0 3 318.465 2.312 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2ccccc2CC)C[C@@H]1C ZINC001281684120 1144907442 /nfs/dbraw/zinc/90/74/42/1144907442.db2.gz IYXLCXOJZJXCPS-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H](CC)CCCC)CC1 ZINC001281798521 1144914580 /nfs/dbraw/zinc/91/45/80/1144914580.db2.gz DQBHFCXVJIPQSP-MRXNPFEDSA-N 0 3 308.466 2.169 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001281818233 1144915087 /nfs/dbraw/zinc/91/50/87/1144915087.db2.gz 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C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C2CC2)n(C)n1 ZINC001366459276 1147293765 /nfs/dbraw/zinc/29/37/65/1147293765.db2.gz GEBJNNGOVUHVFD-LLVKDONJSA-N 0 3 310.829 2.148 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccnc(C2CC2)n1 ZINC001366494493 1147310908 /nfs/dbraw/zinc/31/09/08/1147310908.db2.gz VPMKKZFOPJXMLF-NSHDSACASA-N 0 3 308.813 2.205 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CN(C)CC2(C)C)cc1OC ZINC001303986458 1147340605 /nfs/dbraw/zinc/34/06/05/1147340605.db2.gz UBWSZGIVAPFGIV-MRXNPFEDSA-N 0 3 318.417 2.330 20 30 DEEDHN COc1cc(C)c(C[NH2+]CCNc2ncccc2C#N)c([O-])c1 ZINC001308986315 1147492134 /nfs/dbraw/zinc/49/21/34/1147492134.db2.gz DDGKHLPDGNNZJL-UHFFFAOYSA-N 0 3 312.373 2.178 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCCCN(C(=O)CCCCC)C1 ZINC001316765626 1147573150 /nfs/dbraw/zinc/57/31/50/1147573150.db2.gz NCNYIZQNOFSMAA-MRXNPFEDSA-N 0 3 323.481 2.230 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C2(COC)CCCCC2)C1 ZINC001317132613 1147586827 /nfs/dbraw/zinc/58/68/27/1147586827.db2.gz SHFXQBOESKUXOJ-QGZVFWFLSA-N 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C#Cc1ccc(C(=O)NCC[C@@H](C)NCc2cnc(C)o2)cc1 ZINC001317402743 1147702016 /nfs/dbraw/zinc/70/20/16/1147702016.db2.gz ZAYWLAMHRXCQOV-CYBMUJFWSA-N 0 3 311.385 2.263 20 30 DEEDHN C#CCCCC(=O)NCCN(C)CCc1ccc2c(c1)CCO2 ZINC001317443705 1147709343 /nfs/dbraw/zinc/70/93/43/1147709343.db2.gz CTDMXMIKFSMBIX-UHFFFAOYSA-N 0 3 314.429 2.016 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1ccc(OC)c(C)c1 ZINC001317500626 1147716247 /nfs/dbraw/zinc/71/62/47/1147716247.db2.gz ASOOFSBJNLQRJI-HNNXBMFYSA-N 0 3 318.417 2.149 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1c(OC)cccc1OC ZINC001317501784 1147716401 /nfs/dbraw/zinc/71/64/01/1147716401.db2.gz OHXBJZJHYPCQEK-CQSZACIVSA-N 0 3 318.417 2.013 20 30 DEEDHN CCC(CC)[C@H](C)C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001317528725 1147720767 /nfs/dbraw/zinc/72/07/67/1147720767.db2.gz UHMHLRYJWNMFBI-HOTGVXAUSA-N 0 3 308.466 2.147 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001317541048 1147722336 /nfs/dbraw/zinc/72/23/36/1147722336.db2.gz QUJOSKSFHWKSLG-UHFFFAOYSA-N 0 3 316.449 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C=C[C@H](C(=O)NC[C@@]1(O)CCN(CC(=C)C)C1)c1ccccc1 ZINC001325161320 1147881552 /nfs/dbraw/zinc/88/15/52/1147881552.db2.gz NFXXOPNJGLEJEE-HKUYNNGSSA-N 0 3 314.429 2.085 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC001325221482 1147885620 /nfs/dbraw/zinc/88/56/20/1147885620.db2.gz DCMQWBUQVJOWPA-GDBMZVCRSA-N 0 3 323.458 2.425 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)COCCCC)C2)CC1 ZINC001325353211 1147895200 /nfs/dbraw/zinc/89/52/00/1147895200.db2.gz WXIBWMQTPGCXFW-SFHVURJKSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCc2ccncn2)cc1 ZINC001326467881 1148107620 /nfs/dbraw/zinc/10/76/20/1148107620.db2.gz HXLBACALYUYJCN-HNNXBMFYSA-N 0 3 322.412 2.009 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1 ZINC001326468724 1148107634 /nfs/dbraw/zinc/10/76/34/1148107634.db2.gz NYRRLYXOBBYUKN-ZDUSSCGKSA-N 0 3 309.369 2.001 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(CC)on2)cc1 ZINC001326488930 1148114249 /nfs/dbraw/zinc/11/42/49/1148114249.db2.gz 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ZINC000422219194 529798643 /nfs/dbraw/zinc/79/86/43/529798643.db2.gz NWHAQMFRCVTHNL-SWLSCSKDSA-N 0 3 318.446 2.245 20 30 DEEDHN CN1CCC(O)(CNC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000330864891 530050689 /nfs/dbraw/zinc/05/06/89/530050689.db2.gz NOVMDKQEFXANGN-UHFFFAOYSA-N 0 3 315.776 2.262 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1nc2ccc(F)cc2n1C ZINC001353549852 1151837935 /nfs/dbraw/zinc/83/79/35/1151837935.db2.gz XORKNQFGBXDFNC-ZDUSSCGKSA-N 0 3 318.396 2.055 20 30 DEEDHN N#C[C@@]1(F)CCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000615665052 362674744 /nfs/dbraw/zinc/67/47/44/362674744.db2.gz UZOMQMFNACPHMT-KRWDZBQOSA-N 0 3 301.365 2.360 20 30 DEEDHN CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1O ZINC000279652058 215033255 /nfs/dbraw/zinc/03/32/55/215033255.db2.gz BUCOCAOLOBHIMH-CQSZACIVSA-N 0 3 321.808 2.243 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@H]1CCO ZINC000216786659 539726405 /nfs/dbraw/zinc/72/64/05/539726405.db2.gz FSESYQQQBZYLFR-ZWKOTPCHSA-N 0 3 319.445 2.392 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C2CC(C)(C)[NH2+]C(C)(C)C2)c1[O-] ZINC000005110582 353993561 /nfs/dbraw/zinc/99/35/61/353993561.db2.gz FOYMIQQZNWIFHF-DJKKODMXSA-N 0 3 305.422 2.316 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)ccc1C#N ZINC000032737483 354153903 /nfs/dbraw/zinc/15/39/03/354153903.db2.gz PNQXXGZCPIJJFN-STQMWFEESA-N 0 3 300.406 2.254 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000050029213 354366421 /nfs/dbraw/zinc/36/64/21/354366421.db2.gz HXCNHXVPWOTTPR-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C#CCN(CC)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000056663096 354540450 /nfs/dbraw/zinc/54/04/50/354540450.db2.gz LCOREUANSQWGHU-UHFFFAOYSA-N 0 3 309.479 2.013 20 30 DEEDHN N#CCCCCN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000057590761 354575185 /nfs/dbraw/zinc/57/51/85/354575185.db2.gz AZUWRTOLVPGGMC-UHFFFAOYSA-N 0 3 315.417 2.269 20 30 DEEDHN C#CCNC(=O)CCNCc1cn(-c2ccccc2)nc1C(C)C ZINC000064615764 354670950 /nfs/dbraw/zinc/67/09/50/354670950.db2.gz QRQYOCHBGPTUPW-UHFFFAOYSA-N 0 3 324.428 2.225 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccccc2Cl)CC1 ZINC000067330462 354757194 /nfs/dbraw/zinc/75/71/94/354757194.db2.gz CPMKLXDUJZMZRA-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000066921110 354739625 /nfs/dbraw/zinc/73/96/25/354739625.db2.gz YNHFFOJLODMOOZ-UHFFFAOYSA-N 0 3 323.400 2.064 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000066942717 354740299 /nfs/dbraw/zinc/74/02/99/354740299.db2.gz WORISMVKFSEBEN-OAHLLOKOSA-N 0 3 308.422 2.459 20 30 DEEDHN N#Cc1ccc(OCC(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000066945474 354740547 /nfs/dbraw/zinc/74/05/47/354740547.db2.gz MNUCXNICBAIOFV-INIZCTEOSA-N 0 3 313.401 2.024 20 30 DEEDHN Cc1nc(C(=O)N2CCCN(C(C)(C)C)CC2)ccc1C#N ZINC000069047312 354845592 /nfs/dbraw/zinc/84/55/92/354845592.db2.gz STTCKPIIGFLWFV-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN N#C[C@H]1CC[C@H](NCc2cc(F)ccc2N2CCOCC2)C1 ZINC000442794876 283067895 /nfs/dbraw/zinc/06/78/95/283067895.db2.gz QQPDTFZVSNBTHS-BBRMVZONSA-N 0 3 303.381 2.444 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCSC1)C(C)C ZINC000073710716 354976569 /nfs/dbraw/zinc/97/65/69/354976569.db2.gz VTMAGVRZWWEHHG-CABCVRRESA-N 0 3 311.495 2.490 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000074132357 355008701 /nfs/dbraw/zinc/00/87/01/355008701.db2.gz ICXSOYOPRHOZAT-MRXNPFEDSA-N 0 3 315.417 2.329 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(C1)CCOCC2 ZINC000076158814 355130976 /nfs/dbraw/zinc/13/09/76/355130976.db2.gz CZVJCDFTGZLXEF-HNNXBMFYSA-N 0 3 319.449 2.220 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000076385610 355145765 /nfs/dbraw/zinc/14/57/65/355145765.db2.gz ARTNRGRFZBVKDK-GJZGRUSLSA-N 0 3 315.417 2.185 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000175224964 283084504 /nfs/dbraw/zinc/08/45/04/283084504.db2.gz WQRCGNIFAMDBSM-QGZVFWFLSA-N 0 3 308.385 2.453 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)[nH]c1=O)C(C)C ZINC000076483471 191653128 /nfs/dbraw/zinc/65/31/28/191653128.db2.gz BUJVAUGQEGLLML-INIZCTEOSA-N 0 3 317.433 2.112 20 30 DEEDHN CN(CCN1CCOC(C)(C)C1)Cc1ccc(CC#N)cc1 ZINC000434700514 540178366 /nfs/dbraw/zinc/17/83/66/540178366.db2.gz VGIMMTDZJURJEV-UHFFFAOYSA-N 0 3 301.434 2.295 20 30 DEEDHN CC1(C)CN(C[C@H](O)COc2ccccc2C#N)CCS1 ZINC000158760523 355959111 /nfs/dbraw/zinc/95/91/11/355959111.db2.gz ROELBJPSMSERLG-AWEZNQCLSA-N 0 3 306.431 2.125 20 30 DEEDHN CCOC(=O)C[C@@H](C)N(C)CCOc1ccc(C#N)cc1OC ZINC000182635609 356134747 /nfs/dbraw/zinc/13/47/47/356134747.db2.gz ZUYVDDSQUHJLHL-CYBMUJFWSA-N 0 3 320.389 2.219 20 30 DEEDHN N#CC[C@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000595610709 358500573 /nfs/dbraw/zinc/50/05/73/358500573.db2.gz ABNVIVUMNLTDDV-CQSZACIVSA-N 0 3 311.385 2.298 20 30 DEEDHN CCOc1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595608882 358500945 /nfs/dbraw/zinc/50/09/45/358500945.db2.gz AVUMJBKBSNFFKT-JKSUJKDBSA-N 0 3 318.417 2.451 20 30 DEEDHN C[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000314047304 356415186 /nfs/dbraw/zinc/41/51/86/356415186.db2.gz OCZQLDDFHJDGBM-LBPRGKRZSA-N 0 3 315.398 2.056 20 30 DEEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(-n2cnnn2)c1 ZINC000320062212 356443160 /nfs/dbraw/zinc/44/31/60/356443160.db2.gz UWKLCEFQWGLAMY-CYBMUJFWSA-N 0 3 304.357 2.385 20 30 DEEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000381349732 356671126 /nfs/dbraw/zinc/67/11/26/356671126.db2.gz HREDLSMKHCRXLP-NWDGAFQWSA-N 0 3 306.410 2.288 20 30 DEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381349723 356671161 /nfs/dbraw/zinc/67/11/61/356671161.db2.gz HREDLSMKHCRXLP-NEPJUHHUSA-N 0 3 306.410 2.288 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccnc(C#N)n1 ZINC000383065819 356678380 /nfs/dbraw/zinc/67/83/80/356678380.db2.gz DXJAOMGPQBWUBI-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1cc(C#N)ncn1 ZINC000383102068 356678950 /nfs/dbraw/zinc/67/89/50/356678950.db2.gz BPAABCHDIPZGMM-MRXNPFEDSA-N 0 3 307.401 2.307 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1(C#N)CC1)C(C)C ZINC000578396716 356809966 /nfs/dbraw/zinc/80/99/66/356809966.db2.gz DZLAHDIKFFYSTB-OAHLLOKOSA-N 0 3 304.438 2.288 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1 ZINC000237218821 202194378 /nfs/dbraw/zinc/19/43/78/202194378.db2.gz PGVBQFGUWSBCEA-UHFFFAOYSA-N 0 3 323.824 2.311 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000579372202 356966486 /nfs/dbraw/zinc/96/64/86/356966486.db2.gz ARUXTKXDJABVLL-DLBZAZTESA-N 0 3 314.429 2.489 20 30 DEEDHN C[C@H]1COCCN1C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000579430603 356971078 /nfs/dbraw/zinc/97/10/78/356971078.db2.gz KYDWRNIABSILGF-INIZCTEOSA-N 0 3 316.420 2.362 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000595656451 358513472 /nfs/dbraw/zinc/51/34/72/358513472.db2.gz RVTIDDCSEFEGLN-JYJNAYRXSA-N 0 3 304.438 2.339 20 30 DEEDHN COCCN(C)CCCNC(=O)Nc1scc(C)c1C#N ZINC000584728622 357299349 /nfs/dbraw/zinc/29/93/49/357299349.db2.gz QXVZOGXKMCKWBM-UHFFFAOYSA-N 0 3 310.423 2.018 20 30 DEEDHN N#CCCCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000589844001 357499899 /nfs/dbraw/zinc/49/98/99/357499899.db2.gz LHVARWIDAOTDLI-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN CN(C)C[C@H](NC(=O)c1cccc(C#N)n1)c1ccc(F)cc1 ZINC000589528370 357478116 /nfs/dbraw/zinc/47/81/16/357478116.db2.gz UPKRNVGXEICCKH-INIZCTEOSA-N 0 3 312.348 2.125 20 30 DEEDHN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000590867799 357630645 /nfs/dbraw/zinc/63/06/45/357630645.db2.gz DDHMPCKJLVRQQM-XHSDSOJGSA-N 0 3 314.385 2.217 20 30 DEEDHN Cc1cccc2c1ncc(C#N)c2NC[C@H]1CCCN1CCCO ZINC000590707642 357587072 /nfs/dbraw/zinc/58/70/72/357587072.db2.gz PIMZEGLKKDRPIG-MRXNPFEDSA-N 0 3 324.428 2.096 20 30 DEEDHN Cc1nn(-c2ccccc2)c(CN2C[C@H]3CCN(C)[C@H]3C2)c1C#N ZINC000590758455 357604132 /nfs/dbraw/zinc/60/41/32/357604132.db2.gz HBDCSKVPZPNBMF-QAPCUYQASA-N 0 3 321.428 2.188 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765047 357606105 /nfs/dbraw/zinc/60/61/05/357606105.db2.gz HNLCMCKOQLHULG-JAPOXJDPSA-N 0 3 303.450 2.409 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000591162051 357683355 /nfs/dbraw/zinc/68/33/55/357683355.db2.gz RXQUUJNAUORGFV-KRWDZBQOSA-N 0 3 302.418 2.217 20 30 DEEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)N(C)C ZINC000591183214 357687000 /nfs/dbraw/zinc/68/70/00/357687000.db2.gz OGPDCOXVCANYLE-QWHCGFSZSA-N 0 3 324.222 2.470 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000591241496 357694339 /nfs/dbraw/zinc/69/43/39/357694339.db2.gz LMYCWEBGEOVDHQ-DLBZAZTESA-N 0 3 301.434 2.276 20 30 DEEDHN CCS(=O)(=O)CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591257229 357695553 /nfs/dbraw/zinc/69/55/53/357695553.db2.gz IGKXGMPGDUQWOG-MRXNPFEDSA-N 0 3 306.431 2.350 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000591615735 357743964 /nfs/dbraw/zinc/74/39/64/357743964.db2.gz SZTFDHBZZHSRBT-LSDHHAIUSA-N 0 3 303.431 2.324 20 30 DEEDHN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@@]3(C#N)CCNC3)C2)c1 ZINC000591640945 357747123 /nfs/dbraw/zinc/74/71/23/357747123.db2.gz UVDAYJXNCHEUDY-IAGOWNOFSA-N 0 3 319.355 2.035 20 30 DEEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000592147786 357840574 /nfs/dbraw/zinc/84/05/74/357840574.db2.gz SDQQZDKTRQAMAX-HNNXBMFYSA-N 0 3 307.781 2.019 20 30 DEEDHN COC(=O)[C@@H]1CCCCCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000276748630 213082612 /nfs/dbraw/zinc/08/26/12/213082612.db2.gz KLKAJVMSXHHOSZ-CVEARBPZSA-N 0 3 303.406 2.498 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCOC2(C)C)CC1 ZINC000660597572 540310044 /nfs/dbraw/zinc/31/00/44/540310044.db2.gz RCRXGOFEMLHZAT-CQSZACIVSA-N 0 3 309.454 2.141 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCN1CCCCC1 ZINC000593112757 358013292 /nfs/dbraw/zinc/01/32/92/358013292.db2.gz JRUAIOLEMXZCAK-MRXNPFEDSA-N 0 3 320.481 2.135 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000593281117 358047517 /nfs/dbraw/zinc/04/75/17/358047517.db2.gz FZUCTYYZMYZANZ-XOKHGSTOSA-N 0 3 311.385 2.266 20 30 DEEDHN N#Cc1ccc(NCC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594422357 358265599 /nfs/dbraw/zinc/26/55/99/358265599.db2.gz YOCJABKXIBGHLW-DLBZAZTESA-N 0 3 312.417 2.103 20 30 DEEDHN CN(CCOc1ccccc1F)C(=O)[C@@H](N)CCCCC#N ZINC000594429499 358267610 /nfs/dbraw/zinc/26/76/10/358267610.db2.gz QOKDHRRJJZPTKZ-AWEZNQCLSA-N 0 3 307.369 2.074 20 30 DEEDHN N#Cc1ccc(OCC(=O)N2CCNC3(CCCCC3)C2)cc1 ZINC000594628780 358307858 /nfs/dbraw/zinc/30/78/58/358307858.db2.gz KNEWOYNICHSNEF-UHFFFAOYSA-N 0 3 313.401 2.072 20 30 DEEDHN COc1cc(NC(=O)[C@H](N)CCCC#N)ccc1OC(F)F ZINC000595259911 358407892 /nfs/dbraw/zinc/40/78/92/358407892.db2.gz QJXBXHPMCZYWDW-SNVBAGLBSA-N 0 3 313.304 2.256 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618820892 363611248 /nfs/dbraw/zinc/61/12/48/363611248.db2.gz LXFWLTGYIQMPDW-NXOUGTEYSA-N 0 3 324.428 2.327 20 30 DEEDHN N#Cc1ccc(CCN2CCN(CC3CCOCC3)CC2)cc1 ZINC000595323258 358421697 /nfs/dbraw/zinc/42/16/97/358421697.db2.gz XRVUUVWYACJARK-UHFFFAOYSA-N 0 3 313.445 2.145 20 30 DEEDHN COC(=O)CCN(CCc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000595326299 358422972 /nfs/dbraw/zinc/42/29/72/358422972.db2.gz ZPSRHSFEXNQZOO-KRWDZBQOSA-N 0 3 316.401 2.145 20 30 DEEDHN N#Cc1ccc(CCN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000595348368 358427521 /nfs/dbraw/zinc/42/75/21/358427521.db2.gz RQSATQKQGLQTAO-GOSISDBHSA-N 0 3 300.402 2.371 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618815442 363611855 /nfs/dbraw/zinc/61/18/55/363611855.db2.gz BCGAPBUUBQHJNX-RDJZCZTQSA-N 0 3 312.417 2.329 20 30 DEEDHN CCOC(=O)CC1(NCc2cccc(C#N)c2F)CCOCC1 ZINC000595878002 358570123 /nfs/dbraw/zinc/57/01/23/358570123.db2.gz OOOUECDGZADACU-UHFFFAOYSA-N 0 3 320.364 2.289 20 30 DEEDHN Cc1cccc2c1ncc(C#N)c2NCCCN1CCC(O)CC1 ZINC000596086598 358608048 /nfs/dbraw/zinc/60/80/48/358608048.db2.gz SZDTUFQHVAKTTB-UHFFFAOYSA-N 0 3 324.428 2.096 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000595945244 358585078 /nfs/dbraw/zinc/58/50/78/358585078.db2.gz CAELSSAULGRPDF-HZPDHXFCSA-N 0 3 301.390 2.078 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000596550842 358711109 /nfs/dbraw/zinc/71/11/09/358711109.db2.gz OEBAYEVGIPKQKK-DOTOQJQBSA-N 0 3 314.433 2.104 20 30 DEEDHN CN(CCN1CCCC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618851217 363617825 /nfs/dbraw/zinc/61/78/25/363617825.db2.gz MBMHCMAVKVSKPX-KRWDZBQOSA-N 0 3 312.417 2.283 20 30 DEEDHN C=CC[C@H](C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000627264006 366493289 /nfs/dbraw/zinc/49/32/89/366493289.db2.gz MREQTYPENJNAIV-KSZLIROESA-N 0 3 314.429 2.014 20 30 DEEDHN COCCN1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000597168656 358842826 /nfs/dbraw/zinc/84/28/26/358842826.db2.gz DRPGMEQZFTXGFT-HNNXBMFYSA-N 0 3 307.438 2.078 20 30 DEEDHN CCn1cc(C2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)cn1 ZINC000598590104 359251162 /nfs/dbraw/zinc/25/11/62/359251162.db2.gz KEFAOOBCSKRUOG-INIZCTEOSA-N 0 3 304.438 2.383 20 30 DEEDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590544 359252926 /nfs/dbraw/zinc/25/29/26/359252926.db2.gz OHFOERDCGDLZFZ-ZBFHGGJFSA-N 0 3 323.481 2.160 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cnn(Cc2ccccc2)c1 ZINC000598714091 359302398 /nfs/dbraw/zinc/30/23/98/359302398.db2.gz FOMMCUDILQIFMI-KRWDZBQOSA-N 0 3 312.417 2.322 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(Oc2ncccc2F)CC1 ZINC000598613159 359260789 /nfs/dbraw/zinc/26/07/89/359260789.db2.gz GPVNSZNUBGTBGQ-ZDUSSCGKSA-N 0 3 321.396 2.365 20 30 DEEDHN CN1CCN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000598615009 359262233 /nfs/dbraw/zinc/26/22/33/359262233.db2.gz PXQSQQUVVQCDLV-ROUUACIJSA-N 0 3 315.461 2.146 20 30 DEEDHN COC(=O)c1cc(CNCC2(CC#N)CC2)n2c1CCCC2 ZINC000598637811 359270842 /nfs/dbraw/zinc/27/08/42/359270842.db2.gz FCXXKGVSOBLEJO-UHFFFAOYSA-N 0 3 301.390 2.394 20 30 DEEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1CO ZINC000598909771 359355112 /nfs/dbraw/zinc/35/51/12/359355112.db2.gz NKFLJIBVUAIFGJ-PVAVHDDUSA-N 0 3 300.402 2.236 20 30 DEEDHN CC[C@@H](CO)N(CC(=O)NCC#N)C1CCC(C(C)(C)C)CC1 ZINC000599497320 359510995 /nfs/dbraw/zinc/51/09/95/359510995.db2.gz ORMUFIMDJAFEOX-PCKAHOCUSA-N 0 3 323.481 2.304 20 30 DEEDHN N#CCc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000599631448 359549034 /nfs/dbraw/zinc/54/90/34/359549034.db2.gz VVGLYKOWECPXNM-AEFFLSMTSA-N 0 3 309.369 2.473 20 30 DEEDHN CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000599985370 359629013 /nfs/dbraw/zinc/62/90/13/359629013.db2.gz DBEKMIBRGQYOHT-CQSZACIVSA-N 0 3 315.417 2.268 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncnc3ccsc32)CC1 ZINC000668370337 540655849 /nfs/dbraw/zinc/65/58/49/540655849.db2.gz VFDPGCHCMHHCAD-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)CC1 ZINC000668370209 540656166 /nfs/dbraw/zinc/65/61/66/540656166.db2.gz QHUASJCHJDHUJA-MSOLQXFVSA-N 0 3 314.429 2.183 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000619002039 363664681 /nfs/dbraw/zinc/66/46/81/363664681.db2.gz NEOAJVXHKYUWIC-MRXNPFEDSA-N 0 3 321.446 2.063 20 30 DEEDHN Cc1conc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000601020352 359897046 /nfs/dbraw/zinc/89/70/46/359897046.db2.gz ZVUWGGNPSHOCTR-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)CCCN(C)C ZINC000601307668 360001952 /nfs/dbraw/zinc/00/19/52/360001952.db2.gz DEWIRIMHHQTBBG-CQSZACIVSA-N 0 3 323.462 2.223 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cnc2n1CCCC2 ZINC000602656857 360478655 /nfs/dbraw/zinc/47/86/55/360478655.db2.gz ZCWRLKMBCPXDBV-CQSZACIVSA-N 0 3 302.422 2.408 20 30 DEEDHN C[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000602628429 360465483 /nfs/dbraw/zinc/46/54/83/360465483.db2.gz ASNKWEWVIWHHAZ-DAXOMENPSA-N 0 3 315.442 2.143 20 30 DEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2cn3ccccc3c2C#N)nn1 ZINC000603197152 360742525 /nfs/dbraw/zinc/74/25/25/360742525.db2.gz ZTUVZOGEDKMDEP-INIZCTEOSA-N 0 3 308.389 2.497 20 30 DEEDHN CC(C)[C@@H](N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603231980 360757862 /nfs/dbraw/zinc/75/78/62/360757862.db2.gz DLXGEROWNOJRQG-CQSZACIVSA-N 0 3 321.331 2.455 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000671293494 540961240 /nfs/dbraw/zinc/96/12/40/540961240.db2.gz RBEJWIMWULLENM-INIZCTEOSA-N 0 3 306.406 2.007 20 30 DEEDHN C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000609142998 361284214 /nfs/dbraw/zinc/28/42/14/361284214.db2.gz BBRBRFWNKNYINL-GOEBONIOSA-N 0 3 300.406 2.054 20 30 DEEDHN COc1cc2c(c(CNC3CCN(CC#N)CC3)c1)O[C@H](C)C2 ZINC000609334727 361302728 /nfs/dbraw/zinc/30/27/28/361302728.db2.gz CZBNSRDETZFDQZ-CYBMUJFWSA-N 0 3 315.417 2.096 20 30 DEEDHN COc1cc2c(c(CNC3CCN(CC#N)CC3)c1)O[C@@H](C)C2 ZINC000609334728 361302830 /nfs/dbraw/zinc/30/28/30/361302830.db2.gz CZBNSRDETZFDQZ-ZDUSSCGKSA-N 0 3 315.417 2.096 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CCN1C ZINC000610209745 361368441 /nfs/dbraw/zinc/36/84/41/361368441.db2.gz YZMMPTDPYYFLLU-UKRRQHHQSA-N 0 3 310.401 2.377 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000610399651 361393749 /nfs/dbraw/zinc/39/37/49/361393749.db2.gz QVKXFUGXXCBZQR-CQSZACIVSA-N 0 3 310.401 2.236 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610707740 361449550 /nfs/dbraw/zinc/44/95/50/361449550.db2.gz IJKHATITHGWTFV-GDZNZVCISA-N 0 3 312.417 2.401 20 30 DEEDHN CN(CCOC(C)(C)C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610860919 361480109 /nfs/dbraw/zinc/48/01/09/361480109.db2.gz GMCMEQHYCXHMSA-INIZCTEOSA-N 0 3 320.433 2.239 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000610933418 361494750 /nfs/dbraw/zinc/49/47/50/361494750.db2.gz JYUUXEAQHGBQMU-BBRMVZONSA-N 0 3 309.413 2.331 20 30 DEEDHN CC(C)[C@H](NCCOc1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000611395930 361591203 /nfs/dbraw/zinc/59/12/03/361591203.db2.gz ZTSKGTGXLZHCHW-KRWDZBQOSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C(C)COc1cc(CN[C@](C)(CO)COC)ccc1OC ZINC000674068475 541180062 /nfs/dbraw/zinc/18/00/62/541180062.db2.gz UXSWNVHJHFGTAJ-QGZVFWFLSA-N 0 3 309.406 2.137 20 30 DEEDHN N#Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1Cl ZINC000619743885 363869867 /nfs/dbraw/zinc/86/98/67/363869867.db2.gz XTCIMOZDEKCTGG-UHFFFAOYSA-N 0 3 320.824 2.497 20 30 DEEDHN CCN1CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619826686 363881052 /nfs/dbraw/zinc/88/10/52/363881052.db2.gz FVCIOZBTMLSZJN-UHFFFAOYSA-N 0 3 320.824 2.449 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)NCCC)cc1 ZINC000449079013 240021793 /nfs/dbraw/zinc/02/17/93/240021793.db2.gz NNZKIZMZAYWKRF-LBPRGKRZSA-N 0 3 304.394 2.321 20 30 DEEDHN C=C(C)COc1cc(CN[C@H](C)CC(=O)NC)ccc1OC ZINC000449598086 240745815 /nfs/dbraw/zinc/74/58/15/240745815.db2.gz AVJQLESGKFTOLV-CYBMUJFWSA-N 0 3 306.406 2.264 20 30 DEEDHN C=CCC1(C(=O)NCCCN2CCC(O)CC2)CCCCC1 ZINC000449934736 241266347 /nfs/dbraw/zinc/26/63/47/241266347.db2.gz MAMXMHWBDZQEHD-UHFFFAOYSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)OCC ZINC000677301613 541571789 /nfs/dbraw/zinc/57/17/89/541571789.db2.gz UGNHGDNPYPPBCF-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(CC)nc2C2CC2)CC1 ZINC000630941640 367924964 /nfs/dbraw/zinc/92/49/64/367924964.db2.gz CZPUIHYSALKJQD-UHFFFAOYSA-N 0 3 302.422 2.161 20 30 DEEDHN CO[C@@H]1C[C@H](NCC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000451492540 243028400 /nfs/dbraw/zinc/02/84/00/243028400.db2.gz JOZAMBDLTDAKCT-JKSUJKDBSA-N 0 3 315.417 2.336 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000451494486 243028443 /nfs/dbraw/zinc/02/84/43/243028443.db2.gz KTWLBZDNBQSYOI-LERXQTSPSA-N 0 3 319.405 2.498 20 30 DEEDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1ccccc1C#N ZINC000451728497 243381839 /nfs/dbraw/zinc/38/18/39/243381839.db2.gz GQWMGIQYMXRTHS-MRXNPFEDSA-N 0 3 314.433 2.303 20 30 DEEDHN C=CCOc1ccccc1CN1CCN(C(C)(C)CO)CC1 ZINC000678268804 541703379 /nfs/dbraw/zinc/70/33/79/541703379.db2.gz CFVONOOWHJAIJX-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000453885494 245340201 /nfs/dbraw/zinc/34/02/01/245340201.db2.gz ZLVLBJMCTSMRBQ-UHFFFAOYSA-N 0 3 317.433 2.058 20 30 DEEDHN C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1cccnc1 ZINC000563801823 335020254 /nfs/dbraw/zinc/02/02/54/335020254.db2.gz GZOIPWMFCNKFQU-YOEHRIQHSA-N 0 3 311.385 2.238 20 30 DEEDHN CN(C)CCn1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000155637228 291608689 /nfs/dbraw/zinc/60/86/89/291608689.db2.gz ULZBULYYCUGQEF-UHFFFAOYSA-N 0 3 317.780 2.222 20 30 DEEDHN CC(C#N)C(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000492675854 249113822 /nfs/dbraw/zinc/11/38/22/249113822.db2.gz ROAGJSNGIRJUKO-GUYCJALGSA-N 0 3 315.373 2.063 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000057127869 184028145 /nfs/dbraw/zinc/02/81/45/184028145.db2.gz NTBUNBOZKBPINE-LBPRGKRZSA-N 0 3 306.356 2.487 20 30 DEEDHN COc1cc(OC)cc([C@H](O)CNCc2cccc(C#N)c2)c1 ZINC000118450293 194899799 /nfs/dbraw/zinc/89/97/99/194899799.db2.gz TVNRLPCAXQLWHH-GOSISDBHSA-N 0 3 312.369 2.399 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)[C@H]1CC[C@@H](C)C1 ZINC000362146840 285037387 /nfs/dbraw/zinc/03/73/87/285037387.db2.gz CTEYLXSYMKFNIZ-OAGGEKHMSA-N 0 3 309.454 2.132 20 30 DEEDHN CS[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1N(C)C ZINC000544619306 285364500 /nfs/dbraw/zinc/36/45/00/285364500.db2.gz GVSTXAJCEFRNLP-KBPBESRZSA-N 0 3 323.849 2.329 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3c2cccc3OC)CC1 ZINC000121981011 195385253 /nfs/dbraw/zinc/38/52/53/195385253.db2.gz ZVRNOQHNMXNTBP-KRWDZBQOSA-N 0 3 312.413 2.144 20 30 DEEDHN C#C[C@H](CC)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000491546141 533301464 /nfs/dbraw/zinc/30/14/64/533301464.db2.gz USULHHZAVUTPMV-QGZVFWFLSA-N 0 3 313.445 2.117 20 30 DEEDHN COc1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331274704 533384940 /nfs/dbraw/zinc/38/49/40/533384940.db2.gz IAGMSTNGCWECQK-GHMZBOCLSA-N 0 3 307.350 2.391 20 30 DEEDHN COc1ccc(C2(NCCOCCC#N)CCOCC2)cc1F ZINC000339130092 533427819 /nfs/dbraw/zinc/42/78/19/533427819.db2.gz JMOHRTZFBKUUFQ-UHFFFAOYSA-N 0 3 322.380 2.360 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000685658579 542749681 /nfs/dbraw/zinc/74/96/81/542749681.db2.gz VAGORLYNMLSRQK-PKOBYXMFSA-N 0 3 316.445 2.342 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC001574962782 1069309471 /nfs/dbraw/zinc/30/94/71/1069309471.db2.gz OOHXAQPUACGJRZ-HNNXBMFYSA-N 0 3 319.836 2.038 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)NCCN1CCC(C)CC1 ZINC000546709169 285521299 /nfs/dbraw/zinc/52/12/99/285521299.db2.gz NMKNPDYPWALFAI-UHFFFAOYSA-N 0 3 316.405 2.420 20 30 DEEDHN CCN1CCC(NC(=O)CSc2ccc(C#N)cc2F)CC1 ZINC000356053505 133062823 /nfs/dbraw/zinc/06/28/23/133062823.db2.gz HNELBWFJWDHQQE-UHFFFAOYSA-N 0 3 321.421 2.390 20 30 DEEDHN Cc1nccnc1[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000377010867 133315592 /nfs/dbraw/zinc/31/55/92/133315592.db2.gz VUEFZYCOKWRWHW-CQSZACIVSA-N 0 3 322.416 2.371 20 30 DEEDHN COc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)ccc1C#N ZINC000377859114 133349615 /nfs/dbraw/zinc/34/96/15/133349615.db2.gz FSLAWQXHCXMSMT-MRXNPFEDSA-N 0 3 313.401 2.011 20 30 DEEDHN Cc1cc(NC(=O)c2ccc(C#N)cn2)ccc1OCCN(C)C ZINC000563026221 292025894 /nfs/dbraw/zinc/02/58/94/292025894.db2.gz NQKICRWIXBGGEB-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)n1cncn1 ZINC001099023856 781997433 /nfs/dbraw/zinc/99/74/33/781997433.db2.gz VIDSMMVVACJTQN-GJZGRUSLSA-N 0 3 319.453 2.022 20 30 DEEDHN Cc1ccc(OC[C@@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000563952111 292081417 /nfs/dbraw/zinc/08/14/17/292081417.db2.gz BPNVFPJIRVQONU-ZDUSSCGKSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N1CCC(C)CC1 ZINC000329873104 404478166 /nfs/dbraw/zinc/47/81/66/404478166.db2.gz DNACPJQCGNOSPG-CYBMUJFWSA-N 0 3 306.410 2.091 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000329879836 404481185 /nfs/dbraw/zinc/48/11/85/404481185.db2.gz MUJCGJQENSMHQR-HRCADAONSA-N 0 3 320.437 2.329 20 30 DEEDHN Cn1cc(CNCCOc2ccc(C(F)(F)F)cn2)cc1C#N ZINC000191327219 145056456 /nfs/dbraw/zinc/05/64/56/145056456.db2.gz MKLIOFJETDTFRG-UHFFFAOYSA-N 0 3 324.306 2.479 20 30 DEEDHN COC(=O)[C@@](C)(CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000191542954 145060559 /nfs/dbraw/zinc/06/05/59/145060559.db2.gz VDKRTHYIQZSEKZ-SFHVURJKSA-N 0 3 311.385 2.117 20 30 DEEDHN N#Cc1ccccc1OCCN1CCS[C@@H]2COCC[C@H]21 ZINC000246979148 145121864 /nfs/dbraw/zinc/12/18/64/145121864.db2.gz OUVWKXNRRAZYQV-GDBMZVCRSA-N 0 3 304.415 2.143 20 30 DEEDHN N#Cc1cnc2ccccc2c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000320766946 145375869 /nfs/dbraw/zinc/37/58/69/145375869.db2.gz AKSPMFKUURGHKI-GJZGRUSLSA-N 0 3 308.385 2.382 20 30 DEEDHN CN(C[C@H]1CCCN1C)c1ncc(Br)cc1C#N ZINC000336791568 145397193 /nfs/dbraw/zinc/39/71/93/145397193.db2.gz NYXPCXNMHTVUFL-GFCCVEGCSA-N 0 3 309.211 2.246 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000348522818 146280938 /nfs/dbraw/zinc/28/09/38/146280938.db2.gz ZVRUNIFIWGAMQE-OLZOCXBDSA-N 0 3 309.316 2.247 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000348522817 146281312 /nfs/dbraw/zinc/28/13/12/146281312.db2.gz ZVRUNIFIWGAMQE-CHWSQXEVSA-N 0 3 309.316 2.247 20 30 DEEDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000375419888 148370070 /nfs/dbraw/zinc/37/00/70/148370070.db2.gz NECCOZSCZPQBMF-OAGGEKHMSA-N 0 3 306.431 2.372 20 30 DEEDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000375419890 148370586 /nfs/dbraw/zinc/37/05/86/148370586.db2.gz NECCOZSCZPQBMF-XHSDSOJGSA-N 0 3 306.431 2.372 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000111886110 401727090 /nfs/dbraw/zinc/72/70/90/401727090.db2.gz KZNFOXYKYNWEBT-INIZCTEOSA-N 0 3 317.433 2.487 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000347341168 292207970 /nfs/dbraw/zinc/20/79/70/292207970.db2.gz WDXMXSAWCGWWIH-HNNXBMFYSA-N 0 3 307.438 2.030 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C[C@H](C#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000112560276 401749569 /nfs/dbraw/zinc/74/95/69/401749569.db2.gz GRTMMYVSGUPEPS-NUJGCVRESA-N 0 3 318.465 2.251 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1C1CC1 ZINC000127928922 401756315 /nfs/dbraw/zinc/75/63/15/401756315.db2.gz JLCTXQMACLYMFF-XJKSGUPXSA-N 0 3 312.417 2.325 20 30 DEEDHN CCS[C@@H]1CC[C@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000076068192 401780388 /nfs/dbraw/zinc/78/03/88/401780388.db2.gz PQBMMPKJISHIQD-LZWOXQAQSA-N 0 3 309.479 2.401 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000076385616 401793741 /nfs/dbraw/zinc/79/37/41/401793741.db2.gz ARTNRGRFZBVKDK-HUUCEWRRSA-N 0 3 315.417 2.185 20 30 DEEDHN C#CCOc1ccc(CN2CCC(C3OCCO3)CC2)cc1 ZINC000130095197 401817952 /nfs/dbraw/zinc/81/79/52/401817952.db2.gz HYWFDVVNMHYXLT-UHFFFAOYSA-N 0 3 301.386 2.284 20 30 DEEDHN C=CCN(CCC(=O)N(C)CCC#N)Cc1cccc(C#N)c1 ZINC000131332109 401848425 /nfs/dbraw/zinc/84/84/25/401848425.db2.gz KHRGFDUFIBWKJX-UHFFFAOYSA-N 0 3 310.401 2.308 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(OC)c(OC)cc2C)CC1 ZINC000087318110 401930570 /nfs/dbraw/zinc/93/05/70/401930570.db2.gz WARQIIUBITVZEB-UHFFFAOYSA-N 0 3 318.417 2.392 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCSC2(CCCCC2)C1 ZINC000079503664 401874725 /nfs/dbraw/zinc/87/47/25/401874725.db2.gz FQXIELODXRQBIX-AWEZNQCLSA-N 0 3 309.479 2.499 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134908882 401919900 /nfs/dbraw/zinc/91/99/00/401919900.db2.gz JOMWOCZONGBPFD-AEFFLSMTSA-N 0 3 319.493 2.360 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000134924937 401920639 /nfs/dbraw/zinc/92/06/39/401920639.db2.gz YQXGBJOGTDXXEC-YOEHRIQHSA-N 0 3 320.396 2.346 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000119080284 401924152 /nfs/dbraw/zinc/92/41/52/401924152.db2.gz KRIRRKBCNKNTPP-SJLPKXTDSA-N 0 3 312.413 2.255 20 30 DEEDHN CN(C)CCOc1cc(C(=O)Nc2ccc(CC#N)cc2)ccn1 ZINC000136146954 401961514 /nfs/dbraw/zinc/96/15/14/401961514.db2.gz VXVBQGVCXDEKFS-UHFFFAOYSA-N 0 3 324.384 2.340 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(C)c1C)C(C)C ZINC000046049076 401964825 /nfs/dbraw/zinc/96/48/25/401964825.db2.gz JCQDNOJDNORPBS-INIZCTEOSA-N 0 3 304.438 2.157 20 30 DEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(C(=O)OC)cc1 ZINC000046444505 401970231 /nfs/dbraw/zinc/97/02/31/401970231.db2.gz GBIQQRMWFSROIR-HNNXBMFYSA-N 0 3 307.390 2.111 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(F)cc(OC)c2)CC1 ZINC000094035641 402022263 /nfs/dbraw/zinc/02/22/63/402022263.db2.gz REXXCHVJNPLGKI-UHFFFAOYSA-N 0 3 321.396 2.284 20 30 DEEDHN CCCCCCCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000153148218 402129914 /nfs/dbraw/zinc/12/99/14/402129914.db2.gz LNRYOXDBTMUSDM-INIZCTEOSA-N 0 3 323.481 2.112 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000153300978 402138452 /nfs/dbraw/zinc/13/84/52/402138452.db2.gz GTJPUSASSUELPO-RHSMWYFYSA-N 0 3 320.458 2.287 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@](C)(O)C1 ZINC000124670932 402191237 /nfs/dbraw/zinc/19/12/37/402191237.db2.gz QFWKJCDVWRMJOX-WMZOPIPTSA-N 0 3 305.418 2.002 20 30 DEEDHN Fc1ccc(C#CCN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000124718840 402193393 /nfs/dbraw/zinc/19/33/93/402193393.db2.gz AAPVVBRDRGRAIA-SFHVURJKSA-N 0 3 316.420 2.221 20 30 DEEDHN CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]1CCCN(C)C1 ZINC000153734331 402166041 /nfs/dbraw/zinc/16/60/41/402166041.db2.gz KQBQHKYIALNCQV-JCVNQNCUSA-N 0 3 313.401 2.155 20 30 DEEDHN N#CC(C(=O)c1cccc2c1OCO2)c1nnc2n1CCCCC2 ZINC000069345892 402219037 /nfs/dbraw/zinc/21/90/37/402219037.db2.gz MWBIUQHVPMDJSH-LBPRGKRZSA-N 0 3 324.340 2.223 20 30 DEEDHN CN1CCN(CC2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000069527573 402228784 /nfs/dbraw/zinc/22/87/84/402228784.db2.gz PONLEUIZSTZNQJ-UHFFFAOYSA-N 0 3 316.424 2.161 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2OC)CC1 ZINC000106040379 402212269 /nfs/dbraw/zinc/21/22/69/402212269.db2.gz QNUQGZPHFHSLQW-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)OC(C)(C)C2)CC1 ZINC000106274825 402212793 /nfs/dbraw/zinc/21/27/93/402212793.db2.gz RZYZMWZGNZVIPD-AWEZNQCLSA-N 0 3 309.454 2.236 20 30 DEEDHN C#CCCCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000156047396 402274648 /nfs/dbraw/zinc/27/46/48/402274648.db2.gz JIRASQBFIJZUOC-UHFFFAOYSA-N 0 3 313.445 2.118 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)O)C1)C(C)C ZINC000184852393 402304701 /nfs/dbraw/zinc/30/47/01/402304701.db2.gz WSRNFCWEZSBGGX-IXDOHACOSA-N 0 3 323.481 2.097 20 30 DEEDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)COc1ccccc1C#N ZINC000222002626 402305817 /nfs/dbraw/zinc/30/58/17/402305817.db2.gz LLJKWKFYFFWTJD-VNHYZAJKSA-N 0 3 306.431 2.124 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2ccc(C#N)s2)cc1 ZINC000176952942 402353622 /nfs/dbraw/zinc/35/36/22/402353622.db2.gz JLEPDOODIVRCET-UHFFFAOYSA-N 0 3 315.398 2.148 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000177080207 402367528 /nfs/dbraw/zinc/36/75/28/402367528.db2.gz AFGZOBJBNAGIHD-JTQCSIJCSA-N 0 3 301.390 2.022 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2CCN(C(=O)OCC)C2)cc1 ZINC000185770650 402375422 /nfs/dbraw/zinc/37/54/22/402375422.db2.gz GBGZGFXUHJSQDS-OAHLLOKOSA-N 0 3 302.374 2.019 20 30 DEEDHN CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185785398 402377230 /nfs/dbraw/zinc/37/72/30/402377230.db2.gz OBBQVFWDSWDOIV-GOEBONIOSA-N 0 3 315.417 2.326 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000186055940 402398641 /nfs/dbraw/zinc/39/86/41/402398641.db2.gz NWMJYGOCQGCPSV-SFHVURJKSA-N 0 3 315.417 2.095 20 30 DEEDHN CC(C)[C@@H](CCO)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000162004465 402405979 /nfs/dbraw/zinc/40/59/79/402405979.db2.gz QXXLZPLJZUCDAA-IAGOWNOFSA-N 0 3 315.417 2.050 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186397942 402427634 /nfs/dbraw/zinc/42/76/34/402427634.db2.gz UCEYDIYWVPVMMK-BZUAXINKSA-N 0 3 309.454 2.178 20 30 DEEDHN CC[C@H](C(=O)NCCSCc1ccccc1C#N)N(C)C ZINC000178246779 402475859 /nfs/dbraw/zinc/47/58/59/402475859.db2.gz FPYOFGBAIPROSW-OAHLLOKOSA-N 0 3 305.447 2.248 20 30 DEEDHN C[C@@H](CN1CCCC1=O)NCc1cccc(OCCCC#N)c1 ZINC000171246486 402570341 /nfs/dbraw/zinc/57/03/41/402570341.db2.gz XCBQPOFTMJNDRE-HNNXBMFYSA-N 0 3 315.417 2.470 20 30 DEEDHN CCO[C@H]1C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C1(CC)CC ZINC000178667322 402524220 /nfs/dbraw/zinc/52/42/20/402524220.db2.gz XFOFBMMCDMNYTF-ZNMIVQPWSA-N 0 3 309.454 2.320 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000178692331 402527363 /nfs/dbraw/zinc/52/73/63/402527363.db2.gz ZGGMJHNRZUWBSH-UHFFFAOYSA-N 0 3 317.389 2.212 20 30 DEEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCCO1 ZINC000248628282 402600077 /nfs/dbraw/zinc/60/00/77/402600077.db2.gz VSXLWWZCWARCLI-IVMMDQJWSA-N 0 3 301.390 2.432 20 30 DEEDHN N#Cc1ccc(NC2CCN(CCc3ccccc3)CC2)nn1 ZINC000180001589 402604814 /nfs/dbraw/zinc/60/48/14/402604814.db2.gz QLBYNRBIDSUODT-UHFFFAOYSA-N 0 3 307.401 2.467 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)cn1 ZINC000248817857 402609517 /nfs/dbraw/zinc/60/95/17/402609517.db2.gz LBQNFMHCNWYWJD-KBXCAEBGSA-N 0 3 320.396 2.204 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000171726214 402614907 /nfs/dbraw/zinc/61/49/07/402614907.db2.gz DLPCSBKWMCDRRN-GQCTYLIASA-N 0 3 314.385 2.195 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccccc2Cl)CC1 ZINC000171725780 402615040 /nfs/dbraw/zinc/61/50/40/402615040.db2.gz DELDDGXBNCIAOT-UHFFFAOYSA-N 0 3 308.809 2.485 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOc2ccccc2OC)CC1 ZINC000171721909 402615085 /nfs/dbraw/zinc/61/50/85/402615085.db2.gz MCVSKVAARSUOMH-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COCc2ccccc2)CC1 ZINC000171730705 402615415 /nfs/dbraw/zinc/61/54/15/402615415.db2.gz DIZLMQQMAVSMRK-UHFFFAOYSA-N 0 3 302.418 2.360 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccc(CC)cc2)CC1 ZINC000171727357 402615532 /nfs/dbraw/zinc/61/55/32/402615532.db2.gz LABNATMZBMJXQT-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN N#CCCCCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000171759077 402619000 /nfs/dbraw/zinc/61/90/00/402619000.db2.gz HDFROLOSYCBPPJ-GFCCVEGCSA-N 0 3 310.195 2.259 20 30 DEEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)N1CCc2ccccc2C1 ZINC000190724664 402620273 /nfs/dbraw/zinc/62/02/73/402620273.db2.gz LIIIGGSIQVTULE-HNNXBMFYSA-N 0 3 308.429 2.433 20 30 DEEDHN CCOc1cccc([C@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000180714245 402623918 /nfs/dbraw/zinc/62/39/18/402623918.db2.gz QMRCWWVWYRSGTF-AWEZNQCLSA-N 0 3 303.406 2.498 20 30 DEEDHN CCc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180878511 402629175 /nfs/dbraw/zinc/62/91/75/402629175.db2.gz MIJINXUIQNLBRT-FKEVTRRJSA-N 0 3 313.401 2.426 20 30 DEEDHN C#CCCOc1ccc(CNCCN2CCOCC2(C)C)cc1 ZINC000172118551 402641486 /nfs/dbraw/zinc/64/14/86/402641486.db2.gz DDFJSMDWOXIXNK-UHFFFAOYSA-N 0 3 316.445 2.289 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000172120199 402641493 /nfs/dbraw/zinc/64/14/93/402641493.db2.gz KEMBENBVUJUEIN-CXAGYDPISA-N 0 3 300.402 2.318 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)N(CCC#N)CCC#N ZINC000181521854 402648112 /nfs/dbraw/zinc/64/81/12/402648112.db2.gz DQNCSLSWJAKUGS-HOTGVXAUSA-N 0 3 312.417 2.424 20 30 DEEDHN CCc1cc(N2CCC(NCc3ccc(C#N)o3)CC2)ncn1 ZINC000174936373 402764893 /nfs/dbraw/zinc/76/48/93/402764893.db2.gz OEJODPBLGPCLRD-UHFFFAOYSA-N 0 3 311.389 2.262 20 30 DEEDHN CCN(CCNC(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000263742644 402798038 /nfs/dbraw/zinc/79/80/38/402798038.db2.gz OOQTYOYNGXSGGC-CYBMUJFWSA-N 0 3 300.406 2.403 20 30 DEEDHN CC1(C)CN(C(=O)CCCCOc2cccc(C#N)c2)CCN1 ZINC000175412211 402804888 /nfs/dbraw/zinc/80/48/88/402804888.db2.gz YVSOMRMFAAMQEI-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C=C(C)CS(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000184397430 402840405 /nfs/dbraw/zinc/84/04/05/402840405.db2.gz RHLMLKYPPWFZBS-UHFFFAOYSA-N 0 3 314.495 2.480 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C12CCCC2 ZINC000450967391 286277902 /nfs/dbraw/zinc/27/79/02/286277902.db2.gz JBMMLLQWDODAAP-HUUCEWRRSA-N 0 3 307.438 2.076 20 30 DEEDHN CN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000278709272 402869993 /nfs/dbraw/zinc/86/99/93/402869993.db2.gz UFFIWXZFKYLDQP-PKOBYXMFSA-N 0 3 312.461 2.433 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2cccc(OC)c2)CC1 ZINC000264364735 402871502 /nfs/dbraw/zinc/87/15/02/402871502.db2.gz FETWUEGPMGAQNR-UHFFFAOYSA-N 0 3 317.433 2.187 20 30 DEEDHN C=C(C)CN1CCC(Nc2nnnn2-c2ccc(C)cc2)CC1 ZINC000264445954 402879220 /nfs/dbraw/zinc/87/92/20/402879220.db2.gz BINOCOPHPCMMTA-UHFFFAOYSA-N 0 3 312.421 2.423 20 30 DEEDHN COC(=O)C1=C(C)O[C@@H](CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000272539529 402950585 /nfs/dbraw/zinc/95/05/85/402950585.db2.gz NINWFUDFEUDBDP-IAQYHMDHSA-N 0 3 300.358 2.445 20 30 DEEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCN(C)CCOC ZINC000279525025 402952061 /nfs/dbraw/zinc/95/20/61/402952061.db2.gz MDOKAHWYLKTLNL-UHFFFAOYSA-N 0 3 319.449 2.353 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000265915727 402962074 /nfs/dbraw/zinc/96/20/74/402962074.db2.gz AKELMAJFWAAQDQ-KRWDZBQOSA-N 0 3 312.413 2.399 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCC[C@@H](C)O)C(C)C ZINC000279156741 402910121 /nfs/dbraw/zinc/91/01/21/402910121.db2.gz DEROFPLZNUJJNL-CVEARBPZSA-N 0 3 311.470 2.145 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000279177839 402912906 /nfs/dbraw/zinc/91/29/06/402912906.db2.gz SAGCNXXBMGYAKA-XHSDSOJGSA-N 0 3 316.449 2.126 20 30 DEEDHN CN(CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)C1CC1 ZINC000279245865 402921446 /nfs/dbraw/zinc/92/14/46/402921446.db2.gz OQSURZSXFZJQDF-UHFFFAOYSA-N 0 3 310.357 2.037 20 30 DEEDHN N#Cc1nc(N2CCN(CC3CCOCC3)CC2)ccc1Cl ZINC000265502903 402925132 /nfs/dbraw/zinc/92/51/32/402925132.db2.gz NLKBPGPWOCDZMF-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN CN(C)CCOc1cccc(CNC(=O)CC(C)(C)C#N)c1 ZINC000279314894 402929701 /nfs/dbraw/zinc/92/97/01/402929701.db2.gz RRRVDHUJSONNQF-UHFFFAOYSA-N 0 3 303.406 2.183 20 30 DEEDHN CN(CCC#N)c1ccc(CNCC2([S@@](C)=O)CCC2)cc1 ZINC000280515838 403008151 /nfs/dbraw/zinc/00/81/51/403008151.db2.gz APCZZEOKYPFOIX-JOCHJYFZSA-N 0 3 319.474 2.427 20 30 DEEDHN CN(C)[C@@]1(CNc2c(C#N)nnc3ccccc32)CCSC1 ZINC000267145283 403019399 /nfs/dbraw/zinc/01/93/99/403019399.db2.gz YSYSUODHJFCMCZ-MRXNPFEDSA-N 0 3 313.430 2.351 20 30 DEEDHN CN(C)CCOc1ccccc1-c1noc(C(C)(C)C#N)n1 ZINC000274016371 403029021 /nfs/dbraw/zinc/02/90/21/403029021.db2.gz 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403095588 /nfs/dbraw/zinc/09/55/88/403095588.db2.gz TVYRABFMPMSXTM-KRWDZBQOSA-N 0 3 303.450 2.035 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CCCC12CCOCC2 ZINC000282012104 403113565 /nfs/dbraw/zinc/11/35/65/403113565.db2.gz JSHJQBFKCBSYIA-CYBMUJFWSA-N 0 3 319.430 2.497 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(OC)c(C#N)c1)CC2 ZINC000269729847 403161431 /nfs/dbraw/zinc/16/14/31/403161431.db2.gz XGPXMCNPRGVCIT-OAHLLOKOSA-N 0 3 314.385 2.342 20 30 DEEDHN CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000269801221 403166922 /nfs/dbraw/zinc/16/69/22/403166922.db2.gz JQOZMIZDKTWUPW-INIZCTEOSA-N 0 3 308.385 2.233 20 30 DEEDHN C=C(C)COc1cc(CN[C@H](CO)CCOC)ccc1OC ZINC000282236562 403135188 /nfs/dbraw/zinc/13/51/88/403135188.db2.gz NTRYBBDCMYEHSF-HNNXBMFYSA-N 0 3 309.406 2.137 20 30 DEEDHN CN(CCC#N)c1ccc(CNCC2([S@@](C)=O)CC2)cc1 ZINC000282505280 403155574 /nfs/dbraw/zinc/15/55/74/403155574.db2.gz WZSIDTKBWKHJJN-OAQYLSRUSA-N 0 3 305.447 2.037 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1C1CC1 ZINC000277487814 403223006 /nfs/dbraw/zinc/22/30/06/403223006.db2.gz RNWIXUKNJMDBMJ-CYBMUJFWSA-N 0 3 301.350 2.290 20 30 DEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000285433891 403295945 /nfs/dbraw/zinc/29/59/45/403295945.db2.gz HQAJFQSZZNAGNM-GDBMZVCRSA-N 0 3 303.381 2.480 20 30 DEEDHN N#CCCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000342662484 403300453 /nfs/dbraw/zinc/30/04/53/403300453.db2.gz SAGVMBVAHRVCNS-UHFFFAOYSA-N 0 3 314.433 2.009 20 30 DEEDHN COC[C@H](C)OC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000278004950 403278809 /nfs/dbraw/zinc/27/88/09/403278809.db2.gz AVFJPQWTDFUIHB-YJBOKZPZSA-N 0 3 320.433 2.181 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)cc1 ZINC000285646495 403348201 /nfs/dbraw/zinc/34/82/01/403348201.db2.gz DLZISBMFWNCZDH-HOCLYGCPSA-N 0 3 313.401 2.022 20 30 DEEDHN N#CCc1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000342698360 403312806 /nfs/dbraw/zinc/31/28/06/403312806.db2.gz SWFCGRODNWCCBO-GOSISDBHSA-N 0 3 311.429 2.491 20 30 DEEDHN CC(=O)NCCN(Cc1cc(C#N)cs1)C1CCSCC1 ZINC000338996474 403314087 /nfs/dbraw/zinc/31/40/87/403314087.db2.gz KTBWETIBGLJRSC-UHFFFAOYSA-N 0 3 323.487 2.453 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000298160376 403324732 /nfs/dbraw/zinc/32/47/32/403324732.db2.gz SIGLKPSSQYDVCD-UWWQBHOKSA-N 0 3 312.413 2.168 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000342731021 403325352 /nfs/dbraw/zinc/32/53/52/403325352.db2.gz AMKIEOONMYBEBX-OAHLLOKOSA-N 0 3 319.424 2.371 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN([C@H]3Cc4ccccc4[C@H]3O)C2)nc1 ZINC000292227326 403326999 /nfs/dbraw/zinc/32/69/99/403326999.db2.gz PJGSPIOEUATSJR-HHXXYDBFSA-N 0 3 321.380 2.065 20 30 DEEDHN C=CCCN(C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000342741897 403329383 /nfs/dbraw/zinc/32/93/83/403329383.db2.gz ZCHRWOGCWYLTIK-UHFFFAOYSA-N 0 3 321.852 2.497 20 30 DEEDHN Cc1nsc(NC2CCN(C[C@@H]3CCOC3)CC2)c1C#N ZINC000286027742 403434199 /nfs/dbraw/zinc/43/41/99/403434199.db2.gz AWEXPJXUKKIZLX-LBPRGKRZSA-N 0 3 306.435 2.236 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCCCOC)C(C)C ZINC000298663773 403434489 /nfs/dbraw/zinc/43/44/89/403434489.db2.gz IXKOQBHIIFVBHM-MRXNPFEDSA-N 0 3 311.470 2.411 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](CO)CC1 ZINC000339750442 403438109 /nfs/dbraw/zinc/43/81/09/403438109.db2.gz YLIRGBGSPBNYBN-GFCCVEGCSA-N 0 3 307.419 2.043 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H](C)COC)C(C)C ZINC000298705505 403443972 /nfs/dbraw/zinc/44/39/72/403443972.db2.gz YFTSBDIUBDSBRA-HZPDHXFCSA-N 0 3 311.470 2.361 20 30 DEEDHN CCCN(CCOCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000293374703 403455433 /nfs/dbraw/zinc/45/54/33/403455433.db2.gz FYGNITTZZJHXRG-OAHLLOKOSA-N 0 3 304.390 2.469 20 30 DEEDHN COC1(CCN2CCN(c3cc(C#N)ccn3)CC2)CCC1 ZINC000293400132 403462322 /nfs/dbraw/zinc/46/23/22/403462322.db2.gz HKYRNEUCWHKZRY-UHFFFAOYSA-N 0 3 300.406 2.034 20 30 DEEDHN N#Cc1c(N2CCN(CC3CC3)CC2)nc2cc(Cl)ccn12 ZINC000286174110 403464875 /nfs/dbraw/zinc/46/48/75/403464875.db2.gz DCPHKNDQZSLZPR-UHFFFAOYSA-N 0 3 315.808 2.391 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000298830957 403471523 /nfs/dbraw/zinc/47/15/23/403471523.db2.gz VYLLASFBUDYPCM-IUODEOHRSA-N 0 3 307.415 2.170 20 30 DEEDHN C#CCCN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000299210819 403548019 /nfs/dbraw/zinc/54/80/19/403548019.db2.gz CKEDSRQMNPUVPJ-AWEZNQCLSA-N 0 3 308.447 2.391 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC2(C)C)cc1 ZINC000286961507 403550831 /nfs/dbraw/zinc/55/08/31/403550831.db2.gz ATUYQELMYMLOQN-GWCFXTLKSA-N 0 3 321.402 2.292 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000345814819 403494847 /nfs/dbraw/zinc/49/48/47/403494847.db2.gz HSVOBTOHTSZTAJ-SJORKVTESA-N 0 3 315.417 2.373 20 30 DEEDHN CN(CCN(C)C1CC1)c1nc2cc(Cl)ccn2c1C#N ZINC000287096614 403553885 /nfs/dbraw/zinc/55/38/85/403553885.db2.gz YZOOBYJZKFCXQT-UHFFFAOYSA-N 0 3 303.797 2.390 20 30 DEEDHN Cc1nc(C(=O)NCCN(C)Cc2ccccc2)ccc1C#N ZINC000299078012 403515852 /nfs/dbraw/zinc/51/58/52/403515852.db2.gz FHETXKZOQIMUJR-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[C@H]1O)C(C)C ZINC000287358300 403582161 /nfs/dbraw/zinc/58/21/61/403582161.db2.gz ZXHZUGJDNOMZFY-IXDOHACOSA-N 0 3 323.481 2.240 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1sc(C(C)(C)C)nc1C ZINC000293960976 403610157 /nfs/dbraw/zinc/61/01/57/403610157.db2.gz LASAZKUVKRQGNW-UHFFFAOYSA-N 0 3 307.463 2.434 20 30 DEEDHN CC(C#N)C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000347142102 403617546 /nfs/dbraw/zinc/61/75/46/403617546.db2.gz VXIDLGHECVMELA-RYUDHWBXSA-N 0 3 307.344 2.330 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(OC)c2)CC1 ZINC000287559920 403623046 /nfs/dbraw/zinc/62/30/46/403623046.db2.gz DEPYUWMLXDYVIX-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000343576819 403647077 /nfs/dbraw/zinc/64/70/77/403647077.db2.gz SDOLGDKLQKAQQL-UHFFFAOYSA-N 0 3 321.427 2.281 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000294040326 403631554 /nfs/dbraw/zinc/63/15/54/403631554.db2.gz SLXKFPDUZBBWPV-UHFFFAOYSA-N 0 3 316.445 2.335 20 30 DEEDHN COc1cc(C#N)ccc1CN1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000343635794 403671811 /nfs/dbraw/zinc/67/18/11/403671811.db2.gz ALDCVCSLXBQZML-HOCLYGCPSA-N 0 3 305.447 2.044 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000294209811 403673559 /nfs/dbraw/zinc/67/35/59/403673559.db2.gz LOYANALJVWITJF-UHFFFAOYSA-N 0 3 314.433 2.181 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccccc1Br ZINC000294107956 403649685 /nfs/dbraw/zinc/64/96/85/403649685.db2.gz YWLXGZKJDWZDEE-UHFFFAOYSA-N 0 3 323.234 2.063 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1csc(C(C)(C)C)n1 ZINC000294112766 403650689 /nfs/dbraw/zinc/65/06/89/403650689.db2.gz ZDSZYWRPEOADRU-UHFFFAOYSA-N 0 3 307.463 2.054 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1 ZINC000288083329 403721421 /nfs/dbraw/zinc/72/14/21/403721421.db2.gz HMGGUEYUFGTZJW-GDBMZVCRSA-N 0 3 300.406 2.252 20 30 DEEDHN CSc1ccc([C@@H](CNC(=O)CSCC#N)N(C)C)cc1 ZINC000294648062 403724702 /nfs/dbraw/zinc/72/47/02/403724702.db2.gz DHAXIMKAJYNKKY-CQSZACIVSA-N 0 3 323.487 2.384 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000294766182 403732871 /nfs/dbraw/zinc/73/28/71/403732871.db2.gz QMXALSPXRQUQCG-SJLPKXTDSA-N 0 3 314.429 2.286 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2c(C#N)cccc2C#N)CC1 ZINC000302861559 403735754 /nfs/dbraw/zinc/73/57/54/403735754.db2.gz VKHHUDDMBJGUAJ-OAHLLOKOSA-N 0 3 311.433 2.115 20 30 DEEDHN C[C@H]1CN(c2c(C#N)nnc3ccccc32)CCN(C2CC2)C1 ZINC000294863862 403736314 /nfs/dbraw/zinc/73/63/14/403736314.db2.gz DLKBHQPOAWRXGS-CYBMUJFWSA-N 0 3 307.401 2.422 20 30 DEEDHN Cc1ccnc(NCc2ccncc2OCCN(C)C)c1C#N ZINC000341054203 403753466 /nfs/dbraw/zinc/75/34/66/403753466.db2.gz XMYBQQGTGZFWGU-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000288675785 403761350 /nfs/dbraw/zinc/76/13/50/403761350.db2.gz WQSKSBLEFPDAHR-MJGOQNOKSA-N 0 3 309.365 2.283 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000288675787 403762031 /nfs/dbraw/zinc/76/20/31/403762031.db2.gz WQSKSBLEFPDAHR-PKOBYXMFSA-N 0 3 309.365 2.283 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2C#N)C[C@@H]1C ZINC000354596346 403895232 /nfs/dbraw/zinc/89/52/32/403895232.db2.gz GWNDKFJCGNXKCS-ZFWWWQNUSA-N 0 3 321.446 2.052 20 30 DEEDHN C=CCN1CC[C@H](N(CCC)CCN2CCCCCC2)C1=O ZINC000344030987 403861148 /nfs/dbraw/zinc/86/11/48/403861148.db2.gz OPQJZNMOPLXBIA-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN C[C@@H]1C[C@@H](NCCNC(=O)C2N=CC=CC2=O)c2ccccc21 ZINC000289194662 403869386 /nfs/dbraw/zinc/86/93/86/403869386.db2.gz JEFJVCKQFKYSFW-ZRSWRHFJSA-N 0 3 311.385 2.351 20 30 DEEDHN C#Cc1ccc(CNCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000289224727 403877239 /nfs/dbraw/zinc/87/72/39/403877239.db2.gz JOIPIDDRAIYHHI-UHFFFAOYSA-N 0 3 322.408 2.425 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000354607654 403902555 /nfs/dbraw/zinc/90/25/55/403902555.db2.gz RACXHZVFEJAGEM-HIFRSBDPSA-N 0 3 321.446 2.052 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000411636347 403919173 /nfs/dbraw/zinc/91/91/73/403919173.db2.gz DGHOMGWPZGCMNU-UHFFFAOYSA-N 0 3 317.433 2.267 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)CC(F)(F)F ZINC000344113289 403919701 /nfs/dbraw/zinc/91/97/01/403919701.db2.gz LNNVBADCZCEFQK-CQSZACIVSA-N 0 3 316.323 2.320 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN(C2CC2)C1 ZINC000295490399 403955015 /nfs/dbraw/zinc/95/50/15/403955015.db2.gz FMMDPBSYQHGSIY-LBPRGKRZSA-N 0 3 301.365 2.254 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@](C)(O)C1CCC1)C(C)C ZINC000362768335 403986459 /nfs/dbraw/zinc/98/64/59/403986459.db2.gz DEPPYZWMMIMJMK-AEFFLSMTSA-N 0 3 308.466 2.352 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nccn1CC)C(C)C ZINC000362762755 403986654 /nfs/dbraw/zinc/98/66/54/403986654.db2.gz MCKGWMVHUGEHCE-OAHLLOKOSA-N 0 3 304.438 2.331 20 30 DEEDHN CCOC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1C#N ZINC000313449777 403987637 /nfs/dbraw/zinc/98/76/37/403987637.db2.gz XTEYMDIIFZABAK-IRXDYDNUSA-N 0 3 318.417 2.189 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC000362801964 403989245 /nfs/dbraw/zinc/98/92/45/403989245.db2.gz PTZIJABARHNBKF-UHFFFAOYSA-N 0 3 301.434 2.128 20 30 DEEDHN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cccc(C#N)c2)cn1 ZINC000369252461 404021320 /nfs/dbraw/zinc/02/13/20/404021320.db2.gz QCYSGWGTYILGAI-QZTJIDSGSA-N 0 3 310.401 2.380 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348522801 404076356 /nfs/dbraw/zinc/07/63/56/404076356.db2.gz ZTXJVUCYCDBRLF-UAGQMJEPSA-N 0 3 302.418 2.405 20 30 DEEDHN CN(C)CCOC1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000341565638 404038920 /nfs/dbraw/zinc/03/89/20/404038920.db2.gz NBFOWUJVPDJHGL-UHFFFAOYSA-N 0 3 318.377 2.013 20 30 DEEDHN C=CCC[C@H](O)CN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990865 404046692 /nfs/dbraw/zinc/04/66/92/404046692.db2.gz SYMGYDLRHVSBFY-KSSFIOAISA-N 0 3 301.386 2.423 20 30 DEEDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000296056433 404071881 /nfs/dbraw/zinc/07/18/81/404071881.db2.gz FZECHVHGRYJMKZ-CXAGYDPISA-N 0 3 319.405 2.500 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(C#N)c1C ZINC000296137479 404108806 /nfs/dbraw/zinc/10/88/06/404108806.db2.gz JJOHOZZLJSXJQH-GLQYFDAESA-N 0 3 317.389 2.110 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000328223537 404105037 /nfs/dbraw/zinc/10/50/37/404105037.db2.gz AXHSHTLIVGBLFQ-QWHCGFSZSA-N 0 3 304.356 2.426 20 30 DEEDHN CCc1onc(C)c1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000328810059 404153651 /nfs/dbraw/zinc/15/36/51/404153651.db2.gz DQVTYHSVDRCCTM-AWEZNQCLSA-N 0 3 312.439 2.309 20 30 DEEDHN CCc1c(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1C ZINC000355106505 404221459 /nfs/dbraw/zinc/22/14/59/404221459.db2.gz XKCVBZULXBALDQ-CYBMUJFWSA-N 0 3 311.389 2.395 20 30 DEEDHN Cc1cccnc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349633458 404171514 /nfs/dbraw/zinc/17/15/14/404171514.db2.gz SCEUDTPATXFZFC-INIZCTEOSA-N 0 3 304.353 2.260 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000328930592 404176218 /nfs/dbraw/zinc/17/62/18/404176218.db2.gz HOIMYEVGDHQOHJ-RBSFLKMASA-N 0 3 320.437 2.186 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000363591152 404196879 /nfs/dbraw/zinc/19/68/79/404196879.db2.gz ASRNLHOOJCIJLS-MRXNPFEDSA-N 0 3 308.385 2.233 20 30 DEEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCc3occc32)N(C)C1 ZINC000329030424 404206934 /nfs/dbraw/zinc/20/69/34/404206934.db2.gz LDPDWVQMTRIUPF-YDHLFZDLSA-N 0 3 321.421 2.222 20 30 DEEDHN CC(C)C(=O)N1CCCC[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000329217460 404267689 /nfs/dbraw/zinc/26/76/89/404267689.db2.gz QEDCKPRNJWXIHO-HNNXBMFYSA-N 0 3 307.438 2.242 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000352323555 404289174 /nfs/dbraw/zinc/28/91/74/404289174.db2.gz CEDAKMNUOURBNJ-HRCADAONSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000296847660 404339921 /nfs/dbraw/zinc/33/99/21/404339921.db2.gz JSZHAUWBGNISHU-INIZCTEOSA-N 0 3 314.433 2.129 20 30 DEEDHN Cc1nn(C)c2ncc(C(=O)N[C@@H](C)C3=CCN(C)CC3)cc12 ZINC000329494032 404354453 /nfs/dbraw/zinc/35/44/53/404354453.db2.gz IGJSKLFVVZMLFZ-NSHDSACASA-N 0 3 313.405 2.232 20 30 DEEDHN C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)CN(C)C1CC1 ZINC000290796273 404315312 /nfs/dbraw/zinc/31/53/12/404315312.db2.gz PAYCBDJQGLXVMY-OAHLLOKOSA-N 0 3 306.362 2.157 20 30 DEEDHN [O-]C(NCC1(C(F)(F)F)CC1)=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329703657 404427179 /nfs/dbraw/zinc/42/71/79/404427179.db2.gz ILFVUMOLMOILQO-QMMMGPOBSA-N 0 3 302.300 2.113 20 30 DEEDHN [O-]C(NCC1(C(F)(F)F)CC1)=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329703657 404427186 /nfs/dbraw/zinc/42/71/86/404427186.db2.gz ILFVUMOLMOILQO-QMMMGPOBSA-N 0 3 302.300 2.113 20 30 DEEDHN [O-]C(N[C@H]1CCc2nc[nH]c2C1)=[NH+]CC1(C(F)(F)F)CC1 ZINC000329703657 404427196 /nfs/dbraw/zinc/42/71/96/404427196.db2.gz ILFVUMOLMOILQO-QMMMGPOBSA-N 0 3 302.300 2.113 20 30 DEEDHN CC(=O)N[C@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)C1CCCC1 ZINC000329517423 404363227 /nfs/dbraw/zinc/36/32/27/404363227.db2.gz ZCBAKHFUMXELLL-RDJZCZTQSA-N 0 3 307.438 2.076 20 30 DEEDHN C[C@@H](CNC(=O)c1cnc2nccnc2c1)N1CCC[C@@H](C)C1 ZINC000329525311 404365043 /nfs/dbraw/zinc/36/50/43/404365043.db2.gz QWQWKEHYSOWTPY-OLZOCXBDSA-N 0 3 313.405 2.450 20 30 DEEDHN CCC[C@@]1(CO)CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000329614601 404394704 /nfs/dbraw/zinc/39/47/04/404394704.db2.gz PFSWYFAEYTYAPO-QGZVFWFLSA-N 0 3 309.454 2.012 20 30 DEEDHN C[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000297267100 404526855 /nfs/dbraw/zinc/52/68/55/404526855.db2.gz CEHNPZHSSBBUBU-CQSZACIVSA-N 0 3 312.417 2.184 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccc(C#N)cc1 ZINC000291745228 404502711 /nfs/dbraw/zinc/50/27/11/404502711.db2.gz ZDCULMPFMFLUHB-KBXCAEBGSA-N 0 3 312.417 2.356 20 30 DEEDHN COCC1(C)CCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000329964743 404508908 /nfs/dbraw/zinc/50/89/08/404508908.db2.gz UBCXCQPBZWYAOB-AWEZNQCLSA-N 0 3 320.437 2.108 20 30 DEEDHN COc1cccc(COC[C@@H](O)CN2CCC(C)(C#N)CC2)c1 ZINC000356431992 404519067 /nfs/dbraw/zinc/51/90/67/404519067.db2.gz JQQCALUYTCLPET-INIZCTEOSA-N 0 3 318.417 2.198 20 30 DEEDHN CCc1nc2n(n1)C[C@H](NC(=O)C1(C3CC3)CCOCC1)CC2 ZINC000329748575 404439162 /nfs/dbraw/zinc/43/91/62/404439162.db2.gz TUWUKTZWYYGMNK-CYBMUJFWSA-N 0 3 318.421 2.319 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)C12CCC2 ZINC000329794443 404455439 /nfs/dbraw/zinc/45/54/39/404455439.db2.gz BYTWGFDPGHNYGZ-AEGPPILISA-N 0 3 307.438 2.074 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329800978 404456769 /nfs/dbraw/zinc/45/67/69/404456769.db2.gz YNQNFBWYXZKJJL-OLMNGRFOSA-N 0 3 310.438 2.115 20 30 DEEDHN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000330195799 404581922 /nfs/dbraw/zinc/58/19/22/404581922.db2.gz ZURJRJAERMVHDC-SJCJKPOMSA-N 0 3 320.437 2.164 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CCOC3(CCC3)C2)C1 ZINC000330207766 404586620 /nfs/dbraw/zinc/58/66/20/404586620.db2.gz GGBURVDDXKWDBS-HUUCEWRRSA-N 0 3 309.454 2.324 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1CCN(C)CC1 ZINC000342375380 404539447 /nfs/dbraw/zinc/53/94/47/404539447.db2.gz VQARGSWIBFTOCJ-UHFFFAOYSA-N 0 3 306.406 2.018 20 30 DEEDHN Cn1ccc(C(=O)NCCN2CC=C(C(C)(C)C)CC2)cc1=O ZINC000330095403 404550400 /nfs/dbraw/zinc/55/04/00/404550400.db2.gz VKBREIKNWKCNTB-UHFFFAOYSA-N 0 3 317.433 2.368 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291873703 404561863 /nfs/dbraw/zinc/56/18/63/404561863.db2.gz PVERNCBKUXWFIG-AWEZNQCLSA-N 0 3 310.344 2.277 20 30 DEEDHN CN(CCN1CCCC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345127898 404565322 /nfs/dbraw/zinc/56/53/22/404565322.db2.gz HMUFICHNERFNLS-UHFFFAOYSA-N 0 3 324.384 2.381 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000352825104 404650038 /nfs/dbraw/zinc/65/00/38/404650038.db2.gz IPYRXWIMCFZMOE-JKSUJKDBSA-N 0 3 323.481 2.125 20 30 DEEDHN CC(C)NC(=O)[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352850990 404663141 /nfs/dbraw/zinc/66/31/41/404663141.db2.gz YTMQNQXHOKSRRS-NWDGAFQWSA-N 0 3 306.435 2.188 20 30 DEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)C(C)C#N ZINC000351510604 404615769 /nfs/dbraw/zinc/61/57/69/404615769.db2.gz GNEPOKVAZAONEL-JGVFFNPUSA-N 0 3 302.300 2.399 20 30 DEEDHN CC(C)OC[C@@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000373871588 404621911 /nfs/dbraw/zinc/62/19/11/404621911.db2.gz DGQCPUSNRDQAEY-RHSMWYFYSA-N 0 3 315.417 2.062 20 30 DEEDHN C[C@H]1CSC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000352800888 404632868 /nfs/dbraw/zinc/63/28/68/404632868.db2.gz IJYHWGJFKFIPOW-ZANVPECISA-N 0 3 309.822 2.491 20 30 DEEDHN C=CCOc1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1OC ZINC000414559430 404680915 /nfs/dbraw/zinc/68/09/15/404680915.db2.gz PTCMOVWPPHFGED-HOTGVXAUSA-N 0 3 321.417 2.137 20 30 DEEDHN N#Cc1ncn(CCNCc2cc(Cl)cc3cccnc32)n1 ZINC000353037676 404728995 /nfs/dbraw/zinc/72/89/95/404728995.db2.gz KGXPHPZXGDDQQW-UHFFFAOYSA-N 0 3 312.764 2.141 20 30 DEEDHN Cc1ccnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000357400159 404733608 /nfs/dbraw/zinc/73/36/08/404733608.db2.gz CNXAOTLTZRGMHG-MRXNPFEDSA-N 0 3 304.353 2.260 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000357582197 404738388 /nfs/dbraw/zinc/73/83/88/404738388.db2.gz PHTZXQQEPULLFN-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOc2ccc(F)cc2)CC1 ZINC000357819861 404744442 /nfs/dbraw/zinc/74/44/42/404744442.db2.gz MOJNQTVCNORRGY-UHFFFAOYSA-N 0 3 306.381 2.361 20 30 DEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC(C)(C)C#N ZINC000358624043 404769098 /nfs/dbraw/zinc/76/90/98/404769098.db2.gz FNWWVUCBIJANDG-UHFFFAOYSA-N 0 3 320.412 2.449 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)NCC(C)(C)C#N ZINC000358630827 404769912 /nfs/dbraw/zinc/76/99/12/404769912.db2.gz XQRNGSVARFRPQE-UHFFFAOYSA-N 0 3 308.451 2.371 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](COC(F)F)C1 ZINC000353025857 404724950 /nfs/dbraw/zinc/72/49/50/404724950.db2.gz SYPWGHHFAGBNHF-LBPRGKRZSA-N 0 3 323.343 2.448 20 30 DEEDHN Cn1nccc1[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000366265737 404782321 /nfs/dbraw/zinc/78/23/21/404782321.db2.gz FWXISGMDDYOAQP-WMZOPIPTSA-N 0 3 310.401 2.205 20 30 DEEDHN Cn1nccc1[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000366265736 404782382 /nfs/dbraw/zinc/78/23/82/404782382.db2.gz FWXISGMDDYOAQP-SJLPKXTDSA-N 0 3 310.401 2.205 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000360623190 404832482 /nfs/dbraw/zinc/83/24/82/404832482.db2.gz VSXBATKONOEVJB-AWEZNQCLSA-N 0 3 307.438 2.291 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000353449001 404833658 /nfs/dbraw/zinc/83/36/58/404833658.db2.gz LYFKOGGDKBDJCO-CRAIPNDOSA-N 0 3 307.482 2.216 20 30 DEEDHN C=CCc1cc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)cc(OC)c1O ZINC000361170559 404956422 /nfs/dbraw/zinc/95/64/22/404956422.db2.gz ZNDSANMXRWUMDZ-HFTRVMKXSA-N 0 3 321.417 2.411 20 30 DEEDHN C=CCc1cc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)cc(OC)c1O ZINC000361170567 404956516 /nfs/dbraw/zinc/95/65/16/404956516.db2.gz ZNDSANMXRWUMDZ-UWWQBHOKSA-N 0 3 321.417 2.411 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000424092709 405003069 /nfs/dbraw/zinc/00/30/69/405003069.db2.gz QJQUPIJVEORMDO-OLZOCXBDSA-N 0 3 307.394 2.500 20 30 DEEDHN CC(=O)Nc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000424109664 405010243 /nfs/dbraw/zinc/01/02/43/405010243.db2.gz WEXABNDVTBKBPU-LBPRGKRZSA-N 0 3 308.769 2.258 20 30 DEEDHN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424118366 405012679 /nfs/dbraw/zinc/01/26/79/405012679.db2.gz DHITXERVRLUUIA-HIFRSBDPSA-N 0 3 301.390 2.032 20 30 DEEDHN C[C@H]1CN(Cc2cc(C#N)cs2)CC[C@H]1N1CCN(C)CC1 ZINC000354043748 405017087 /nfs/dbraw/zinc/01/70/87/405017087.db2.gz ZRSMBISVFCTYIA-WMLDXEAASA-N 0 3 318.490 2.078 20 30 DEEDHN CCCN1Cc2cccc(NC(=O)[C@@H](N)CCCC#N)c2C1 ZINC000424157517 405025217 /nfs/dbraw/zinc/02/52/17/405025217.db2.gz PRMQZEVYVLQCQO-HNNXBMFYSA-N 0 3 300.406 2.372 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000424163086 405026354 /nfs/dbraw/zinc/02/63/54/405026354.db2.gz XIOZQRVNTUMKED-IRXDYDNUSA-N 0 3 308.385 2.308 20 30 DEEDHN COC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424167683 405028147 /nfs/dbraw/zinc/02/81/47/405028147.db2.gz HIRHKSAQCJSCKE-ZIAGYGMSSA-N 0 3 309.797 2.165 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424189812 405033830 /nfs/dbraw/zinc/03/38/30/405033830.db2.gz LLGNBNBXEGJRNM-AWEZNQCLSA-N 0 3 316.361 2.107 20 30 DEEDHN CC1(C#N)CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000361208272 404974057 /nfs/dbraw/zinc/97/40/57/404974057.db2.gz IJJFRPWBPNDHCM-OAHLLOKOSA-N 0 3 315.392 2.410 20 30 DEEDHN COc1cccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424059819 404988716 /nfs/dbraw/zinc/98/87/16/404988716.db2.gz BWYDAWNIWCKTGL-JKSUJKDBSA-N 0 3 301.390 2.380 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000424082387 404998010 /nfs/dbraw/zinc/99/80/10/404998010.db2.gz LSXDLPJBIAXURH-GFCCVEGCSA-N 0 3 317.286 2.482 20 30 DEEDHN C=CCn1cc(CN[C@@H](CCOC)Cc2cccc(F)c2)nn1 ZINC000424294116 405059213 /nfs/dbraw/zinc/05/92/13/405059213.db2.gz JVKQHCOZCIKLNG-INIZCTEOSA-N 0 3 318.396 2.341 20 30 DEEDHN N#Cc1ccc(OCCN2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361437940 405075403 /nfs/dbraw/zinc/07/54/03/405075403.db2.gz RRUHXYKBFPIVHS-SFHVURJKSA-N 0 3 316.401 2.207 20 30 DEEDHN CN(C)C1(CNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000416302835 405093217 /nfs/dbraw/zinc/09/32/17/405093217.db2.gz PREYIKPCWUGBFD-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN COC[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000452028951 405131246 /nfs/dbraw/zinc/13/12/46/405131246.db2.gz IHPULAFTQDFCJA-ZDUSSCGKSA-N 0 3 307.419 2.449 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000424774208 405174199 /nfs/dbraw/zinc/17/41/99/405174199.db2.gz ZHASDSQATDTZGS-OAHLLOKOSA-N 0 3 307.482 2.216 20 30 DEEDHN N#Cc1cccc(OCCN(CCO)[C@@H]2CCCSC2)c1 ZINC000439011230 405262785 /nfs/dbraw/zinc/26/27/85/405262785.db2.gz PRQCZZMNPHPRPR-OAHLLOKOSA-N 0 3 306.431 2.127 20 30 DEEDHN N#Cc1cccc(OCCN(CCO)[C@H]2CCCSC2)c1 ZINC000439011228 405262834 /nfs/dbraw/zinc/26/28/34/405262834.db2.gz PRQCZZMNPHPRPR-HNNXBMFYSA-N 0 3 306.431 2.127 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000439460666 405279627 /nfs/dbraw/zinc/27/96/27/405279627.db2.gz XXJOSBPYSFCLHZ-OAHLLOKOSA-N 0 3 319.836 2.366 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425000486 405227148 /nfs/dbraw/zinc/22/71/48/405227148.db2.gz BTFTYEGBSFIMNE-SCTDSRPQSA-N 0 3 314.429 2.046 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425006352 405228776 /nfs/dbraw/zinc/22/87/76/405228776.db2.gz LUKSOYLJFOZWAP-ITQYTPKQSA-N 0 3 309.413 2.269 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000438058321 405229572 /nfs/dbraw/zinc/22/95/72/405229572.db2.gz RLSXZWDUMSIMPO-LSDHHAIUSA-N 0 3 309.454 2.093 20 30 DEEDHN CN(C)[C@@H](CNC(=O)NCC1(C#N)CCC1)Cc1ccccc1 ZINC000419408084 405248659 /nfs/dbraw/zinc/24/86/59/405248659.db2.gz XNXTUQBZPICMDU-MRXNPFEDSA-N 0 3 314.433 2.152 20 30 DEEDHN C=C(C)CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000454329267 405329691 /nfs/dbraw/zinc/32/96/91/405329691.db2.gz ZNWOZLORUCTPKP-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000454491761 405353336 /nfs/dbraw/zinc/35/33/36/405353336.db2.gz PUUWZSFXZMNYLJ-OIISXLGYSA-N 0 3 317.433 2.150 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000426372976 405355457 /nfs/dbraw/zinc/35/54/57/405355457.db2.gz SAXOUXJCUGCIKS-HZPDHXFCSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2OCC)CC1 ZINC000454531547 405359436 /nfs/dbraw/zinc/35/94/36/405359436.db2.gz BTNDESYPZRTNBR-HZPDHXFCSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCC[C@@H](CO)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453377550 405291866 /nfs/dbraw/zinc/29/18/66/405291866.db2.gz XXEOOGHJARUADV-CABCVRRESA-N 0 3 311.447 2.074 20 30 DEEDHN C=CCN1CC[C@@H](N2CC3(CCC3)[C@@H]2C2CCOCC2)C1=O ZINC000425547486 405301526 /nfs/dbraw/zinc/30/15/26/405301526.db2.gz FSTOTDJKNVBOQX-CVEARBPZSA-N 0 3 304.434 2.054 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(C#N)s1 ZINC000420790999 405384748 /nfs/dbraw/zinc/38/47/48/405384748.db2.gz ZTIYTTOTNDOBJI-GFCCVEGCSA-N 0 3 306.435 2.293 20 30 DEEDHN Cc1cc(CNC[C@](C)(O)C(=O)OC(C)(C)C)ccc1C#N ZINC000446762488 405392291 /nfs/dbraw/zinc/39/22/91/405392291.db2.gz PXKYNDUKDSCXOG-KRWDZBQOSA-N 0 3 304.390 2.049 20 30 DEEDHN Cc1sc(NC(=O)CN(C)C[C@H]2CCCN2C)c(C#N)c1C ZINC000421003189 405425568 /nfs/dbraw/zinc/42/55/68/405425568.db2.gz MYPIMPYCRRGBNE-CYBMUJFWSA-N 0 3 320.462 2.201 20 30 DEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CNc1cccc(C#N)c1 ZINC000426606995 405371094 /nfs/dbraw/zinc/37/10/94/405371094.db2.gz BUPZAXAVYUVSBE-HUUCEWRRSA-N 0 3 314.433 2.349 20 30 DEEDHN N#Cc1cccc(NCC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000426612149 405371120 /nfs/dbraw/zinc/37/11/20/405371120.db2.gz WZCQXGCERUTRLB-KRWDZBQOSA-N 0 3 312.417 2.057 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](CCO)CC1 ZINC000421032334 405436891 /nfs/dbraw/zinc/43/68/91/405436891.db2.gz FDTBFAMAINYQSN-HZPDHXFCSA-N 0 3 321.465 2.202 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C ZINC000455774463 405449494 /nfs/dbraw/zinc/44/94/94/405449494.db2.gz CIPWBPZSBAHSQI-VHSXEESVSA-N 0 3 307.785 2.211 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cn2)CCC3)CC1 ZINC000556661224 405497794 /nfs/dbraw/zinc/49/77/94/405497794.db2.gz LYVPAEBNVHGAAS-UHFFFAOYSA-N 0 3 300.406 2.342 20 30 DEEDHN CN(C)C(=O)C1(CNCc2ccc(C#N)c(F)c2)CCCC1 ZINC000421365178 405476127 /nfs/dbraw/zinc/47/61/27/405476127.db2.gz QFJIZGIAFIECMB-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000430662108 405484567 /nfs/dbraw/zinc/48/45/67/405484567.db2.gz RIVZKHKPWMVHQC-DOTOQJQBSA-N 0 3 302.418 2.358 20 30 DEEDHN COc1cc(CNC[C@H](CO)Cc2ccco2)ccc1C#N ZINC000557678597 405619816 /nfs/dbraw/zinc/61/98/16/405619816.db2.gz NAEMVJCGYOUPMG-CQSZACIVSA-N 0 3 300.358 2.101 20 30 DEEDHN N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1ccncn1 ZINC000580510793 405627377 /nfs/dbraw/zinc/62/73/77/405627377.db2.gz PYKLZKAXAQNGAP-LSDHHAIUSA-N 0 3 309.325 2.134 20 30 DEEDHN N#CC(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1ccncn1 ZINC000580510793 405627383 /nfs/dbraw/zinc/62/73/83/405627383.db2.gz PYKLZKAXAQNGAP-LSDHHAIUSA-N 0 3 309.325 2.134 20 30 DEEDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000494251840 405668911 /nfs/dbraw/zinc/66/89/11/405668911.db2.gz TWPRYYIAVMUFGN-ZUZCIYMTSA-N 0 3 307.781 2.307 20 30 DEEDHN C=C(C)CCNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000458991836 405681637 /nfs/dbraw/zinc/68/16/37/405681637.db2.gz CSUTURVNCMKAIA-UHFFFAOYSA-N 0 3 322.497 2.012 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000457090943 405693251 /nfs/dbraw/zinc/69/32/51/405693251.db2.gz MOZZJQLMLTUAQC-ROUUACIJSA-N 0 3 324.428 2.182 20 30 DEEDHN C=CCC[C@@H](CO)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449698155 405697692 /nfs/dbraw/zinc/69/76/92/405697692.db2.gz NBNQQHUULBUQCP-HNNXBMFYSA-N 0 3 301.390 2.298 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000559048450 405716458 /nfs/dbraw/zinc/71/64/58/405716458.db2.gz BNNUUXBMLKSWSA-ZIAGYGMSSA-N 0 3 300.406 2.254 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](CO)[C@H]1C)C(C)C ZINC000494671468 405744022 /nfs/dbraw/zinc/74/40/22/405744022.db2.gz DANJUSPYFDEBEV-BRWVUGGUSA-N 0 3 323.481 2.097 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000495022420 405800993 /nfs/dbraw/zinc/80/09/93/405800993.db2.gz YFZMQIKDAYIWAK-HNNXBMFYSA-N 0 3 323.400 2.490 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529719456 405766113 /nfs/dbraw/zinc/76/61/13/405766113.db2.gz NIBGJGASSGNPBB-GVDBMIGSSA-N 0 3 306.450 2.491 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000450323372 405834404 /nfs/dbraw/zinc/83/44/04/405834404.db2.gz HKUBRXMCIUJSOH-KDOFPFPSSA-N 0 3 312.417 2.306 20 30 DEEDHN N#CCCC[C@H](NCC(=O)Nc1ccncc1)c1ccccc1 ZINC000433017348 405851432 /nfs/dbraw/zinc/85/14/32/405851432.db2.gz BUGUWJQDAGBYJS-KRWDZBQOSA-N 0 3 308.385 2.467 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495721470 405931846 /nfs/dbraw/zinc/93/18/46/405931846.db2.gz QDOQODQTSWWKDI-KGLIPLIRSA-N 0 3 311.426 2.104 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495782922 405934721 /nfs/dbraw/zinc/93/47/21/405934721.db2.gz AMGHHJYBPANNLS-MCIONIFRSA-N 0 3 311.426 2.150 20 30 DEEDHN CC(=NNC1=N[C@H]2CCCC[C@H]2N1)[C@H](C)NC(=O)OC(C)(C)C ZINC000495848535 405935994 /nfs/dbraw/zinc/93/59/94/405935994.db2.gz GBDUJGKJAAGLPV-WCFLWFBJSA-N 0 3 323.441 2.136 20 30 DEEDHN CC(C#N)C(=O)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496137514 405953478 /nfs/dbraw/zinc/95/34/78/405953478.db2.gz NJTYEFVOVQXGAY-LBPRGKRZSA-N 0 3 307.394 2.148 20 30 DEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NC(C)(C)C ZINC000433307173 405918812 /nfs/dbraw/zinc/91/88/12/405918812.db2.gz USUQQFUXXDTZBS-UKRRQHHQSA-N 0 3 315.417 2.178 20 30 DEEDHN N#Cc1cccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c1F ZINC000562471266 406015186 /nfs/dbraw/zinc/01/51/86/406015186.db2.gz OVYPBCRRUNSNML-DLBZAZTESA-N 0 3 317.408 2.430 20 30 DEEDHN Cc1nc(NC[C@H]2CCCN2CCCO)c(Cl)cc1C#N ZINC000450595821 405971354 /nfs/dbraw/zinc/97/13/54/405971354.db2.gz MNHDLBWVEXXGLH-CYBMUJFWSA-N 0 3 308.813 2.174 20 30 DEEDHN CN(C)C(=O)COc1ccccc1CNCC(C)(C)CC#N ZINC000459686680 406006600 /nfs/dbraw/zinc/00/66/00/406006600.db2.gz GLDVIDFTKUPAQE-UHFFFAOYSA-N 0 3 303.406 2.183 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000518927448 406166280 /nfs/dbraw/zinc/16/62/80/406166280.db2.gz KFYNFMLHCBHOMO-AZUAARDMSA-N 0 3 322.408 2.400 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000516864257 406107887 /nfs/dbraw/zinc/10/78/87/406107887.db2.gz VJWSVHXSCSVIBI-BBRMVZONSA-N 0 3 304.438 2.194 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOC2CCCC2)cc1 ZINC000471794858 406118945 /nfs/dbraw/zinc/11/89/45/406118945.db2.gz WOCNBZXDQDAYBR-MRXNPFEDSA-N 0 3 311.385 2.316 20 30 DEEDHN COc1ccc(CN2C[C@H](O)C[C@@H]2C)cc1OCCCC#N ZINC000471798258 406119042 /nfs/dbraw/zinc/11/90/42/406119042.db2.gz LKCWVFHJNIDTLD-DZGCQCFKSA-N 0 3 304.390 2.333 20 30 DEEDHN CN(CCc1ccccn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471875531 406125760 /nfs/dbraw/zinc/12/57/60/406125760.db2.gz VDCNQXWUVVPODY-KRWDZBQOSA-N 0 3 318.380 2.337 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(F)cn2)cc1 ZINC000472353998 406141119 /nfs/dbraw/zinc/14/11/19/406141119.db2.gz HZMYHCALNMRHDW-CQSZACIVSA-N 0 3 308.316 2.091 20 30 DEEDHN C=CCCCCCN(C)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472904993 406141441 /nfs/dbraw/zinc/14/14/41/406141441.db2.gz YYOPPVDFBLQMFW-QGZVFWFLSA-N 0 3 324.513 2.400 20 30 DEEDHN CC(C)Oc1ccc([C@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000518757570 406155331 /nfs/dbraw/zinc/15/53/31/406155331.db2.gz FJPRBKQRPATTIN-RDJZCZTQSA-N 0 3 319.449 2.331 20 30 DEEDHN C=C(CC)CN1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639701650 406212058 /nfs/dbraw/zinc/21/20/58/406212058.db2.gz HTGBQUHMKNZSNV-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN CC(C)N1C[C@H](NC(=O)N2CCC(CCC#N)CC2)[C@@H](C)C1 ZINC000569098310 406224117 /nfs/dbraw/zinc/22/41/17/406224117.db2.gz BHTQQQYSQSMFMK-HOCLYGCPSA-N 0 3 306.454 2.440 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000487648187 406253121 /nfs/dbraw/zinc/25/31/21/406253121.db2.gz ABSUSKUYHZRDSL-YOEHRIQHSA-N 0 3 302.418 2.459 20 30 DEEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000487889237 406269444 /nfs/dbraw/zinc/26/94/44/406269444.db2.gz AFDCCBJAQXCUPO-LJQANCHMSA-N 0 3 312.461 2.079 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000569093691 292389380 /nfs/dbraw/zinc/38/93/80/292389380.db2.gz XCFNIEATDFIQHG-HNNXBMFYSA-N 0 3 324.384 2.379 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000488914694 406360781 /nfs/dbraw/zinc/36/07/81/406360781.db2.gz UUROTHSJKDZRKS-JKSUJKDBSA-N 0 3 319.474 2.326 20 30 DEEDHN CCC1CCC(N(CCO)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000488236538 406305062 /nfs/dbraw/zinc/30/50/62/406305062.db2.gz VQVADPHNGIYPIY-HTWSVDAQSA-N 0 3 323.481 2.304 20 30 DEEDHN C=C[C@@H]1CCCCN1CCC(=O)NC(=O)NCc1ccccc1 ZINC000489412892 406403177 /nfs/dbraw/zinc/40/31/77/406403177.db2.gz XVANBPQAWINFIB-MRXNPFEDSA-N 0 3 315.417 2.443 20 30 DEEDHN C=C[C@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000489424614 406404793 /nfs/dbraw/zinc/40/47/93/406404793.db2.gz KJSRYCRTWXDQGQ-ZWKOTPCHSA-N 0 3 315.461 2.446 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1c(OC)cccc1OC ZINC000489423179 406404807 /nfs/dbraw/zinc/40/48/07/406404807.db2.gz HNNCFKAHAREVOQ-CABCVRRESA-N 0 3 321.417 2.484 20 30 DEEDHN C#CCN(Cc1nn2c(nc(C)cc2=O)s1)C1CCCCC1 ZINC000490590431 406472152 /nfs/dbraw/zinc/47/21/52/406472152.db2.gz RVHWCGXQUDNUHF-UHFFFAOYSA-N 0 3 316.430 2.227 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000490616326 406474576 /nfs/dbraw/zinc/47/45/76/406474576.db2.gz KESBNEQMCJCVRT-KGLIPLIRSA-N 0 3 320.458 2.214 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SCCOC)cc1 ZINC000490616328 406474682 /nfs/dbraw/zinc/47/46/82/406474682.db2.gz KESBNEQMCJCVRT-ZIAGYGMSSA-N 0 3 320.458 2.214 20 30 DEEDHN CC(C)(CCC#N)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571076188 406475619 /nfs/dbraw/zinc/47/56/19/406475619.db2.gz OWYDPSHDDBDUQW-UHFFFAOYSA-N 0 3 319.430 2.252 20 30 DEEDHN C=C(C)CN(CC)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000637837398 406440415 /nfs/dbraw/zinc/44/04/15/406440415.db2.gz GBRBYFXNXSZUFG-UHFFFAOYSA-N 0 3 302.827 2.385 20 30 DEEDHN C#CCN(C)CCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000491209578 406544683 /nfs/dbraw/zinc/54/46/83/406544683.db2.gz IZCGAIULMJCBHZ-ZDUSSCGKSA-N 0 3 308.397 2.449 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000571297366 406503289 /nfs/dbraw/zinc/50/32/89/406503289.db2.gz LZTSLSQXDOWSEW-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000490922450 406506984 /nfs/dbraw/zinc/50/69/84/406506984.db2.gz DLVRFNXKOIMYGE-SJORKVTESA-N 0 3 306.450 2.042 20 30 DEEDHN C[C@@H]1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000525827445 406507794 /nfs/dbraw/zinc/50/77/94/406507794.db2.gz PNLKAUZIGDWCFT-IOASZLSFSA-N 0 3 311.385 2.313 20 30 DEEDHN CC(=O)c1ccc(OC[C@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000571790163 406567823 /nfs/dbraw/zinc/56/78/23/406567823.db2.gz BBNLUGPLZNCTDK-GOSISDBHSA-N 0 3 324.380 2.290 20 30 DEEDHN C#CCN(C)CCCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000491483576 406602012 /nfs/dbraw/zinc/60/20/12/406602012.db2.gz CJVXKUWMDPDENS-HNNXBMFYSA-N 0 3 311.433 2.181 20 30 DEEDHN C#CCN(C)CCCN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000491505086 406606267 /nfs/dbraw/zinc/60/62/67/406606267.db2.gz KJDHYVUVWCWTPV-CQSZACIVSA-N 0 3 317.433 2.259 20 30 DEEDHN C#CCN(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000491525281 406612004 /nfs/dbraw/zinc/61/20/04/406612004.db2.gz RIBQMXMDXKAKBQ-UHFFFAOYSA-N 0 3 305.447 2.235 20 30 DEEDHN C#C[C@@H](CC)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000491546136 406618459 /nfs/dbraw/zinc/61/84/59/406618459.db2.gz USULHHZAVUTPMV-KRWDZBQOSA-N 0 3 313.445 2.117 20 30 DEEDHN C#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C ZINC000491351461 406574600 /nfs/dbraw/zinc/57/46/00/406574600.db2.gz UJWBMTMINIRTAH-IRXDYDNUSA-N 0 3 313.445 2.458 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000491408212 406587897 /nfs/dbraw/zinc/58/78/97/406587897.db2.gz UQHFERKGDZAECO-HNNXBMFYSA-N 0 3 324.428 2.205 20 30 DEEDHN C#CCNC(=O)CCNCCOc1cccc(Cl)c1Cl ZINC000491661033 406655321 /nfs/dbraw/zinc/65/53/21/406655321.db2.gz KDOLSQMIRJSXJU-UHFFFAOYSA-N 0 3 315.200 2.101 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000491669483 406659578 /nfs/dbraw/zinc/65/95/78/406659578.db2.gz UJFOCRKXSGRPIT-CHWSQXEVSA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCNC(=O)C1CCN(Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000491714787 406685215 /nfs/dbraw/zinc/68/52/15/406685215.db2.gz HUPXNEHJHKFEQF-UHFFFAOYSA-N 0 3 324.428 2.072 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(C)cc1OC(C)(C)C ZINC000491736985 406694504 /nfs/dbraw/zinc/69/45/04/406694504.db2.gz BBOBQITZIDYZTI-UHFFFAOYSA-N 0 3 302.418 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1sc(C)nc1C ZINC000491633402 406641383 /nfs/dbraw/zinc/64/13/83/406641383.db2.gz PSZIMJUVMWRPGA-ZDUSSCGKSA-N 0 3 322.478 2.417 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCCCCC2)nc1 ZINC000572799257 406739019 /nfs/dbraw/zinc/73/90/19/406739019.db2.gz ALEGPGLUUXQWRD-UHFFFAOYSA-N 0 3 307.419 2.039 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\c1cnccn1)C(C)C ZINC000491828899 406739633 /nfs/dbraw/zinc/73/96/33/406739633.db2.gz VIMKQVNXVMLXKE-ZPUOCTKUSA-N 0 3 314.433 2.305 20 30 DEEDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491891440 406766413 /nfs/dbraw/zinc/76/64/13/406766413.db2.gz ZDYABFNSTVXFTJ-GTBONMDNSA-N 0 3 313.401 2.155 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000491777781 406714347 /nfs/dbraw/zinc/71/43/47/406714347.db2.gz HXZRQBUSCHVPHB-INIZCTEOSA-N 0 3 314.433 2.399 20 30 DEEDHN C#C[C@@H](NC(=O)/C=C\CN(C)C)c1ccc(Br)cc1 ZINC000491781179 406715875 /nfs/dbraw/zinc/71/58/75/406715875.db2.gz NFDKBQKVGIPJJZ-GEXIGZQTSA-N 0 3 321.218 2.357 20 30 DEEDHN C#C[C@H](NC(=O)/C=C/CN(C)C)c1ccc(Br)cc1 ZINC000491781181 406716133 /nfs/dbraw/zinc/71/61/33/406716133.db2.gz NFDKBQKVGIPJJZ-GJBLVYBDSA-N 0 3 321.218 2.357 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000491784279 406718178 /nfs/dbraw/zinc/71/81/78/406718178.db2.gz KQKAWYNAFHWCLS-CABCVRRESA-N 0 3 306.356 2.107 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCS(=O)(=O)C1 ZINC000552922701 406727656 /nfs/dbraw/zinc/72/76/56/406727656.db2.gz OVFYUDQGQAWQQW-GOEBONIOSA-N 0 3 304.415 2.102 20 30 DEEDHN CC(C)OCc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000574310062 406781757 /nfs/dbraw/zinc/78/17/57/406781757.db2.gz FPSXCAVBHXBAQT-MRXNPFEDSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574940807 406787843 /nfs/dbraw/zinc/78/78/43/406787843.db2.gz ZBMXWKWNNLXUMF-PHIMTYICSA-N 0 3 321.343 2.051 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ncc(C#N)cc1C ZINC000556153417 406863251 /nfs/dbraw/zinc/86/32/51/406863251.db2.gz HIACFZYVPBENFQ-OAHLLOKOSA-N 0 3 300.406 2.256 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)c1ncc(C#N)cc1C ZINC000556153416 406863402 /nfs/dbraw/zinc/86/34/02/406863402.db2.gz HIACFZYVPBENFQ-HNNXBMFYSA-N 0 3 300.406 2.256 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)[C@]3(C#N)C[C@@H]3C)c2)CC1 ZINC000556244317 406866761 /nfs/dbraw/zinc/86/67/61/406866761.db2.gz KQPBIPZRCVXSGP-KSSFIOAISA-N 0 3 312.417 2.317 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(C)c1CC)C(C)C ZINC000642563370 406926534 /nfs/dbraw/zinc/92/65/34/406926534.db2.gz FNGDWMOMLBLYQT-KRWDZBQOSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCC1(C(=O)Nc2cnc3c(c2)CNCC3)CCOCC1 ZINC000644102296 407087609 /nfs/dbraw/zinc/08/76/09/407087609.db2.gz CKJGAGYCLMXJGO-UHFFFAOYSA-N 0 3 301.390 2.039 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645488684 407285202 /nfs/dbraw/zinc/28/52/02/407285202.db2.gz JICVFCHPMCZJHO-XHSDSOJGSA-N 0 3 309.454 2.093 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnnc3ccccc32)[C@H]1C ZINC001088883110 782017009 /nfs/dbraw/zinc/01/70/09/782017009.db2.gz YCSSRMHOUBORBU-CJNGLKHVSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1 ZINC000131690487 196191383 /nfs/dbraw/zinc/19/13/83/196191383.db2.gz DRCKBCDBCJWQPZ-UHFFFAOYSA-N 0 3 320.458 2.315 20 30 DEEDHN CN1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000133755886 196333699 /nfs/dbraw/zinc/33/36/99/196333699.db2.gz SPPXCWXMMWFKMN-INIZCTEOSA-N 0 3 300.406 2.425 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000246807236 225229101 /nfs/dbraw/zinc/22/91/01/225229101.db2.gz RIYUUSHGNBMMMV-ZBFHGGJFSA-N 0 3 317.408 2.451 20 30 DEEDHN CN(C)C[C@H](NC(=O)CSCC#N)c1ccc(Cl)cc1 ZINC000282980352 225570429 /nfs/dbraw/zinc/57/04/29/225570429.db2.gz PNGCOPZKGBZNNR-ZDUSSCGKSA-N 0 3 311.838 2.316 20 30 DEEDHN Cc1nc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)sc1C ZINC000329811771 225933543 /nfs/dbraw/zinc/93/35/43/225933543.db2.gz ROPICSOCMLGVJK-TVQRCGJNSA-N 0 3 308.451 2.246 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000332077751 226092022 /nfs/dbraw/zinc/09/20/22/226092022.db2.gz GZRQKTATYYOLQW-AGIUHOORSA-N 0 3 301.350 2.168 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000338002726 226152982 /nfs/dbraw/zinc/15/29/82/226152982.db2.gz BEAMZCRPHFZOKZ-HNNXBMFYSA-N 0 3 317.408 2.208 20 30 DEEDHN N#C[C@H]1CC[C@H](N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000338927423 226175830 /nfs/dbraw/zinc/17/58/30/226175830.db2.gz ZZRFFWZIGOAQDB-KBPBESRZSA-N 0 3 319.371 2.265 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291156447 222180184 /nfs/dbraw/zinc/18/01/84/222180184.db2.gz FJBAKAJIVQEQEA-UXHICEINSA-N 0 3 322.408 2.228 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCCO[C@@H](CF)C1 ZINC000413866838 228389052 /nfs/dbraw/zinc/38/90/52/228389052.db2.gz GHQHKGULYGGJLS-CVEARBPZSA-N 0 3 304.365 2.346 20 30 DEEDHN CCn1cncc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418067682 229208058 /nfs/dbraw/zinc/20/80/58/229208058.db2.gz NDIGYGSWBLLALE-UHFFFAOYSA-N 0 3 311.433 2.338 20 30 DEEDHN Cc1cc(NC(=O)N2CCC(N3CC=CC3)CC2)ncc1C#N ZINC000603117791 422446687 /nfs/dbraw/zinc/44/66/87/422446687.db2.gz DMQLNJARPUEPLA-UHFFFAOYSA-N 0 3 311.389 2.130 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1CC=CCC1 ZINC000362243845 424850471 /nfs/dbraw/zinc/85/04/71/424850471.db2.gz FVLFUWPOIYOWQM-SJLPKXTDSA-N 0 3 321.465 2.346 20 30 DEEDHN CCCc1nc(C)c(CN(C)CCCc2[nH]nc(N)c2C#N)o1 ZINC000555642025 424881051 /nfs/dbraw/zinc/88/10/51/424881051.db2.gz JEOYEXSPVFUVFC-UHFFFAOYSA-N 0 3 316.409 2.177 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)nc1 ZINC000593052647 425006624 /nfs/dbraw/zinc/00/66/24/425006624.db2.gz SIOYCHSOJXBJAR-WDEREUQCSA-N 0 3 313.279 2.639 20 30 DEEDHN N#Cc1ccc(NCc2ccc(OCCN3CCCC3)cc2)nc1 ZINC000347292729 425011789 /nfs/dbraw/zinc/01/17/89/425011789.db2.gz PEAOKDRVLMRCPS-UHFFFAOYSA-N 0 3 322.412 3.040 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccnc(N3CCCCC3)n2)CC1 ZINC000352374239 425045460 /nfs/dbraw/zinc/04/54/60/425045460.db2.gz ZCRQWOZTKPBOQP-UHFFFAOYSA-N 0 3 315.465 2.919 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000650536238 425014426 /nfs/dbraw/zinc/01/44/26/425014426.db2.gz MDFRTDKPBVNCST-MSOLQXFVSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCCn1cc(CNC2CCC(c3nc(C)no3)CC2)nn1 ZINC000657392355 425324450 /nfs/dbraw/zinc/32/44/50/425324450.db2.gz VVYQVTFFKZHENA-UHFFFAOYSA-N 0 3 316.409 2.362 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1CC(F)(F)F ZINC000661115376 425326694 /nfs/dbraw/zinc/32/66/94/425326694.db2.gz REJIDQCELBCEKT-MNOVXSKESA-N 0 3 303.332 2.460 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000661115912 425327318 /nfs/dbraw/zinc/32/73/18/425327318.db2.gz VIGKEJUKFPCTRG-AAEUAGOBSA-N 0 3 301.394 2.293 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000661115912 425327321 /nfs/dbraw/zinc/32/73/21/425327321.db2.gz VIGKEJUKFPCTRG-AAEUAGOBSA-N 0 3 301.394 2.293 20 30 DEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC#Cc2ccc(F)cc2)C1 ZINC000661221404 425354741 /nfs/dbraw/zinc/35/47/41/425354741.db2.gz VTVPMQBYMNFQED-NXHRZFHOSA-N 0 3 305.393 2.333 20 30 DEEDHN CCn1cc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000527455708 267252509 /nfs/dbraw/zinc/25/25/09/267252509.db2.gz BTXBAQZVGSXSEC-KRWDZBQOSA-N 0 3 321.384 2.116 20 30 DEEDHN CC#CCCNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000664704318 425439405 /nfs/dbraw/zinc/43/94/05/425439405.db2.gz UJEOIEMXHKOSJB-GOSISDBHSA-N 0 3 313.445 2.358 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659094612 425527258 /nfs/dbraw/zinc/52/72/58/425527258.db2.gz NVPXFEWWQXWEFP-CYBMUJFWSA-N 0 3 313.401 2.043 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCNc1ccncc1 ZINC000665394928 425561114 /nfs/dbraw/zinc/56/11/14/425561114.db2.gz XNDIQXHGVAIAAP-GOEBONIOSA-N 0 3 302.422 2.350 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000655609603 425611737 /nfs/dbraw/zinc/61/17/37/425611737.db2.gz QQQXMVKMJYPPRD-VIFPVBQESA-N 0 3 306.391 2.012 20 30 DEEDHN C=CCN(C(=O)NCc1ccc2c(c1)CNC2)[C@H](C)COC ZINC000659533529 425622323 /nfs/dbraw/zinc/62/23/23/425622323.db2.gz LVUPFYPMGHYFLW-CYBMUJFWSA-N 0 3 303.406 2.022 20 30 DEEDHN N#Cc1ccc(N2CCN(CC3Cc4ccccc4C3)CC2)nc1 ZINC000514697929 269328030 /nfs/dbraw/zinc/32/80/30/269328030.db2.gz UBZUXGWUXPEHPP-UHFFFAOYSA-N 0 3 318.424 2.490 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)[C@H]1C ZINC001088915824 782043339 /nfs/dbraw/zinc/04/33/39/782043339.db2.gz VSJTTXNOQAUVIH-DYVFJYSZSA-N 0 3 300.402 2.486 20 30 DEEDHN COc1ccc(CNC[C@@]2(O)CCc3ccccc32)cc1C#N ZINC000132121721 274110283 /nfs/dbraw/zinc/11/02/83/274110283.db2.gz XKOYTEDYSUOSKW-IBGZPJMESA-N 0 3 308.381 2.490 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)[C@H]1C ZINC001088925168 782049380 /nfs/dbraw/zinc/04/93/80/782049380.db2.gz JCONEDUCYHJPAI-HIFRSBDPSA-N 0 3 318.465 2.486 20 30 DEEDHN CN(C(=O)CN[C@@]1(C)CCO[C@H]1C1CC1)C1(C#N)CCCCC1 ZINC000374597751 276735377 /nfs/dbraw/zinc/73/53/77/276735377.db2.gz UWKVPDZCVAVYNQ-IRXDYDNUSA-N 0 3 319.449 2.218 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000458782634 276887453 /nfs/dbraw/zinc/88/74/53/276887453.db2.gz UWDQTYPGGPKZMM-DJIMGWMZSA-N 0 3 319.449 2.304 20 30 DEEDHN C=C(Br)CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375473695 277762237 /nfs/dbraw/zinc/76/22/37/277762237.db2.gz RCLFJSPVMAJOPG-STQMWFEESA-N 0 3 303.244 2.128 20 30 DEEDHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000191719720 294337207 /nfs/dbraw/zinc/33/72/07/294337207.db2.gz REXLGZLSGJMZCM-RRFJBIMHSA-N 0 3 303.406 2.335 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001328278029 1148763480 /nfs/dbraw/zinc/76/34/80/1148763480.db2.gz GPZBVLIMLFIGSV-BBRMVZONSA-N 0 3 320.383 2.500 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CCCCS1(=O)=O)CN1CCCCC1 ZINC000329620741 298245601 /nfs/dbraw/zinc/24/56/01/298245601.db2.gz UGELQGALPKYDFH-ZIAGYGMSSA-N 0 3 316.467 2.032 20 30 DEEDHN Cc1cc(NC(=O)N[C@@H](C)CN(C)C)c(C#N)cc1N(C)C ZINC000417150661 301354346 /nfs/dbraw/zinc/35/43/46/301354346.db2.gz GQASKXJVTBRCLK-LBPRGKRZSA-N 0 3 303.410 2.004 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(OC)cc2F)[C@H]1C ZINC001088953036 782076945 /nfs/dbraw/zinc/07/69/45/782076945.db2.gz WWXYLLOLIAMMPV-WBMJQRKESA-N 0 3 306.381 2.142 20 30 DEEDHN C=CC[C@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)OC ZINC001350015351 1151316642 /nfs/dbraw/zinc/31/66/42/1151316642.db2.gz SAGJVBGNNNLPGW-INIZCTEOSA-N 0 3 317.385 2.096 20 30 DEEDHN Cn1ncc2c1CCCN(CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000574379826 326148202 /nfs/dbraw/zinc/14/82/02/326148202.db2.gz SUCXDSUCYHVUQW-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)C[C@@H]21 ZINC000574862498 326193900 /nfs/dbraw/zinc/19/39/00/326193900.db2.gz DITIIHPZTWITPC-NJAFHUGGSA-N 0 3 324.428 2.281 20 30 DEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C1Cc2ccccc2C1 ZINC000574877190 326195278 /nfs/dbraw/zinc/19/52/78/326195278.db2.gz LGZHNMQJJQFWBD-UHFFFAOYSA-N 0 3 303.369 2.200 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3C[C@@H]3Cc3ccccc3)cnc12 ZINC000575312921 326232683 /nfs/dbraw/zinc/23/26/83/326232683.db2.gz IEQKRNDFNXPLHY-DOTOQJQBSA-N 0 3 303.369 2.322 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCCC(C)(C)C)CC1 ZINC000557618489 331803240 /nfs/dbraw/zinc/80/32/40/331803240.db2.gz PQSMQKQTKUISIM-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@H](O)[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000569435500 332081933 /nfs/dbraw/zinc/08/19/33/332081933.db2.gz CJBRCQOVZQKNMY-BHYGNILZSA-N 0 3 300.402 2.378 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000562554574 332603421 /nfs/dbraw/zinc/60/34/21/332603421.db2.gz LHYOXMUHDOXUIK-JLZZUVOBSA-N 0 3 311.385 2.495 20 30 DEEDHN CN(C)CCOc1cccc(CNC[C@@H](C#N)CCC#N)c1 ZINC000562985378 333010773 /nfs/dbraw/zinc/01/07/73/333010773.db2.gz QHNCSICQPVQJEY-MRXNPFEDSA-N 0 3 300.406 2.160 20 30 DEEDHN CN1C(=O)NCC12CCN(CCC1(C#N)CCCCC1)CC2 ZINC000563025492 333072151 /nfs/dbraw/zinc/07/21/51/333072151.db2.gz CRZIUYSINRJGFO-UHFFFAOYSA-N 0 3 304.438 2.340 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000563036704 333104494 /nfs/dbraw/zinc/10/44/94/333104494.db2.gz RETQZGYBBKECKJ-NVXWUHKLSA-N 0 3 321.465 2.237 20 30 DEEDHN CN(Cc1ccccc1)[C@H](CNC(=O)CSCC#N)C1CC1 ZINC000185315990 333207054 /nfs/dbraw/zinc/20/70/54/333207054.db2.gz QLNDTVICCCWTFQ-MRXNPFEDSA-N 0 3 317.458 2.270 20 30 DEEDHN C=C(C)CN(CC)C(=O)NCCCCN1CCN(CC)CC1 ZINC000119300229 333343230 /nfs/dbraw/zinc/34/32/30/333343230.db2.gz HIVFAEVJCZJALZ-UHFFFAOYSA-N 0 3 310.486 2.012 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CO)C1)C(C)C ZINC000297160049 335150986 /nfs/dbraw/zinc/15/09/86/335150986.db2.gz SIIGQTWQXVGECK-IKGGRYGDSA-N 0 3 323.481 2.145 20 30 DEEDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C1(C)C ZINC000571224241 333685123 /nfs/dbraw/zinc/68/51/23/333685123.db2.gz NPFIVRKJEBNCLE-MGPQQGTHSA-N 0 3 307.438 2.119 20 30 DEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCOC(C)(C)C1 ZINC000351949645 336182387 /nfs/dbraw/zinc/18/23/87/336182387.db2.gz RBAOGTVQGHUXLB-YOEHRIQHSA-N 0 3 307.438 2.074 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc3c(c2)COC3)[C@H]1C ZINC001089002429 782108508 /nfs/dbraw/zinc/10/85/08/782108508.db2.gz MEFHADNJNZFEGY-KDOFPFPSSA-N 0 3 314.429 2.414 20 30 DEEDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1 ZINC000360299448 336707590 /nfs/dbraw/zinc/70/75/90/336707590.db2.gz QPSHPHKJDNUNIS-CZUORRHYSA-N 0 3 303.406 2.352 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@H](C)[C@H]1COc2ccccc21 ZINC000185585823 337249246 /nfs/dbraw/zinc/24/92/46/337249246.db2.gz UBYWEVMGRQINAR-GDBMZVCRSA-N 0 3 300.402 2.341 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(COC)c(F)c2)[C@H]1C ZINC001089005044 782110588 /nfs/dbraw/zinc/11/05/88/782110588.db2.gz QCXYUQYDTIMQEU-DYVFJYSZSA-N 0 3 318.392 2.188 20 30 DEEDHN CSc1ccc([C@@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000571755560 337575146 /nfs/dbraw/zinc/57/51/46/337575146.db2.gz HDCDNNVUAUEPBS-HIFRSBDPSA-N 0 3 307.463 2.265 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H](O)C1(C)C)C(C)C ZINC000429941509 338092508 /nfs/dbraw/zinc/09/25/08/338092508.db2.gz KAZQLVOCYKYLDX-BZUAXINKSA-N 0 3 323.481 2.144 20 30 DEEDHN C#CCN1CCC(C(=O)NCCOc2ccc(C)cc2C)CC1 ZINC000490590508 339835132 /nfs/dbraw/zinc/83/51/32/339835132.db2.gz SHRZOBPJRIFNBG-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN CC(C#N)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496632812 340009315 /nfs/dbraw/zinc/00/93/15/340009315.db2.gz NMIORKVPNSOLNO-WCQYABFASA-N 0 3 307.394 2.146 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496759073 340012234 /nfs/dbraw/zinc/01/22/34/340012234.db2.gz ZCFMFOXLKQQOQY-YIYPIFLZSA-N 0 3 321.421 2.298 20 30 DEEDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCOCCC#N ZINC000497079449 340019770 /nfs/dbraw/zinc/01/97/70/340019770.db2.gz IHAQKRNDYILXMK-KBPBESRZSA-N 0 3 311.426 2.152 20 30 DEEDHN CN(C)CCOc1ccc(-c2noc(C(C)(C)C#N)n2)cc1 ZINC000546296584 341162091 /nfs/dbraw/zinc/16/20/91/341162091.db2.gz ZHMCOPCVVSITCT-UHFFFAOYSA-N 0 3 300.362 2.478 20 30 DEEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000548811939 341276669 /nfs/dbraw/zinc/27/66/69/341276669.db2.gz OKKYQGWBKABREE-INIZCTEOSA-N 0 3 324.428 2.092 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)[C@H]1OC ZINC000248741201 341385617 /nfs/dbraw/zinc/38/56/17/341385617.db2.gz DIBZETQHPPEARF-RKTXRCNFSA-N 0 3 323.481 2.470 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000248869309 341389013 /nfs/dbraw/zinc/38/90/13/341389013.db2.gz ZMGPCWWHYCMVHC-SRABZTEZSA-N 0 3 323.481 2.424 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1C[C@H](O)C1(C)C ZINC000565166774 341518985 /nfs/dbraw/zinc/51/89/85/341518985.db2.gz UYKXSZTVENMHFL-QEJZJMRPSA-N 0 3 322.474 2.400 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)NCC1(C#N)CC1 ZINC000576773900 341862720 /nfs/dbraw/zinc/86/27/20/341862720.db2.gz IWFNIGWTYSRZGY-UHFFFAOYSA-N 0 3 306.435 2.125 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2OCC)[C@H]1C ZINC001089016084 782115027 /nfs/dbraw/zinc/11/50/27/782115027.db2.gz HZTJSYIYFAWHBP-HIFRSBDPSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCCC(=O)NC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001357087844 1152240302 /nfs/dbraw/zinc/24/03/02/1152240302.db2.gz LGMRMYHTDONXQI-HZPDHXFCSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCOc1cccc(OC(=O)C2CCCN(C3CC3)C2=O)c1 ZINC001357507940 1152305258 /nfs/dbraw/zinc/30/52/58/1152305258.db2.gz LJUDYEMZAZYJRJ-MRXNPFEDSA-N 0 3 313.353 2.005 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cnccn2)CCCC[C@H]1C ZINC001378419895 1152322969 /nfs/dbraw/zinc/32/29/69/1152322969.db2.gz MDTWSCBYNQOCPS-WBMJQRKESA-N 0 3 322.840 2.497 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CCC)C(=O)[C@H](CC)N(C)C)C1 ZINC001377657312 1160681431 /nfs/dbraw/zinc/68/14/31/1160681431.db2.gz NSXMVEHFINLCKL-GJZGRUSLSA-N 0 3 315.889 2.392 20 30 DEEDHN CC(=O)CCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001377754414 1160807230 /nfs/dbraw/zinc/80/72/30/1160807230.db2.gz GOBXSBRQEAZADV-STQMWFEESA-N 0 3 321.446 2.362 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H](C)CNCc1cc(F)ccc1C#N ZINC001378534154 1152365822 /nfs/dbraw/zinc/36/58/22/1152365822.db2.gz VIEJZAADPRNJRP-VXGBXAGGSA-N 0 3 323.437 2.291 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001358444854 1152386397 /nfs/dbraw/zinc/38/63/97/1152386397.db2.gz SFUNRQUBUONWHJ-IXPVHAAZSA-N 0 3 307.344 2.348 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H](C)C2CCCC2)C1 ZINC001330073045 1149045363 /nfs/dbraw/zinc/04/53/63/1149045363.db2.gz YSFSUWPGCIUCDA-CABCVRRESA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC(C)(C)COC)C1 ZINC001369585266 1149052735 /nfs/dbraw/zinc/05/27/35/1149052735.db2.gz VZBTVNMNEVXYTB-UHFFFAOYSA-N 0 3 302.846 2.381 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC001330211237 1149070765 /nfs/dbraw/zinc/07/07/65/1149070765.db2.gz TZEDUJGNTMYQSJ-OAHLLOKOSA-N 0 3 319.449 2.274 20 30 DEEDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000427943360 533848676 /nfs/dbraw/zinc/84/86/76/533848676.db2.gz AZEUHBKUGQGLJA-SNVBAGLBSA-N 0 3 315.826 2.007 20 30 DEEDHN C[C@@H](CNC(=O)NCC1(CC#N)CC1)N(C)Cc1ccccc1 ZINC000430699469 533947489 /nfs/dbraw/zinc/94/74/89/533947489.db2.gz IHROCAGBADNTGI-HNNXBMFYSA-N 0 3 314.433 2.500 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cccc(C#N)c2C)C[C@@H]1N(C)C ZINC000330839713 534120195 /nfs/dbraw/zinc/12/01/95/534120195.db2.gz ZBKIKJOPRAHIMS-GJZGRUSLSA-N 0 3 318.446 2.390 20 30 DEEDHN COC(=O)c1cn([C@@H]2CCCN(CC(C)(C)CCC#N)C2)nn1 ZINC000372038438 534303934 /nfs/dbraw/zinc/30/39/34/534303934.db2.gz NWXHBRJLEMTCDM-CYBMUJFWSA-N 0 3 319.409 2.032 20 30 DEEDHN C[C@@H]1CN(CCCCNc2ncc(C#N)cc2F)C[C@H](C)O1 ZINC000413186444 534463622 /nfs/dbraw/zinc/46/36/22/534463622.db2.gz PEQOGUGBORBJQK-BETUJISGSA-N 0 3 306.385 2.394 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1cccc(OCCC)c1 ZINC000451601833 534607110 /nfs/dbraw/zinc/60/71/10/534607110.db2.gz BONVTZSNLHHHET-SJORKVTESA-N 0 3 318.417 2.025 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458225328 534632055 /nfs/dbraw/zinc/63/20/55/534632055.db2.gz YDGXDJPOFKXFIP-QGZVFWFLSA-N 0 3 306.406 2.201 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@H]1CCCN1CCCO)c1ccccc1 ZINC000452360715 534674215 /nfs/dbraw/zinc/67/42/15/534674215.db2.gz IYXRXXHIBRXRRU-SJLPKXTDSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000489462321 534696166 /nfs/dbraw/zinc/69/61/66/534696166.db2.gz KMXXLUKFIOGYLJ-ZFWWWQNUSA-N 0 3 306.362 2.375 20 30 DEEDHN N#CCOc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000268979647 534693902 /nfs/dbraw/zinc/69/39/02/534693902.db2.gz QHDARRLMTCYMDU-CVEARBPZSA-N 0 3 304.415 2.295 20 30 DEEDHN CC[C@@H](F)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001368670243 1148565220 /nfs/dbraw/zinc/56/52/20/1148565220.db2.gz WSTWOHGXPCWETK-XPKDYRNWSA-N 0 3 320.412 2.465 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000442852079 534755855 /nfs/dbraw/zinc/75/58/55/534755855.db2.gz XOKXOXJKFSYCAP-DZGCQCFKSA-N 0 3 319.430 2.008 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000177915499 526438359 /nfs/dbraw/zinc/43/83/59/526438359.db2.gz SQUJTUOICZLTSU-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000339999340 526445925 /nfs/dbraw/zinc/44/59/25/526445925.db2.gz LLQWHXFGGJRZCK-UHFFFAOYSA-N 0 3 312.417 2.004 20 30 DEEDHN C#CCCCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000192206387 526682168 /nfs/dbraw/zinc/68/21/68/526682168.db2.gz IGLAHRZSDRUEBG-GOSISDBHSA-N 0 3 314.429 2.063 20 30 DEEDHN C#CCCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000297478676 526733932 /nfs/dbraw/zinc/73/39/32/526733932.db2.gz MFXBVNGXLXUPDP-OAHLLOKOSA-N 0 3 305.447 2.334 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000294800157 526741836 /nfs/dbraw/zinc/74/18/36/526741836.db2.gz BUIKESMIPUGQTJ-GOEBONIOSA-N 0 3 312.413 2.444 20 30 DEEDHN C=CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000376921420 526779949 /nfs/dbraw/zinc/77/99/49/526779949.db2.gz VAHODMHMGIAZJK-RDJZCZTQSA-N 0 3 317.433 2.151 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000296766887 526819140 /nfs/dbraw/zinc/81/91/40/526819140.db2.gz GDFZZVJOOPYPIZ-ZDUSSCGKSA-N 0 3 308.451 2.157 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417593927 526940494 /nfs/dbraw/zinc/94/04/94/526940494.db2.gz HZDFECWMKDQQOM-KBPBESRZSA-N 0 3 303.406 2.143 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000295907517 527071285 /nfs/dbraw/zinc/07/12/85/527071285.db2.gz QXLMHSWVDLPHPF-SJORKVTESA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000295636163 527081471 /nfs/dbraw/zinc/08/14/71/527081471.db2.gz QEXZEBRQCDNTND-CZUORRHYSA-N 0 3 320.458 2.166 20 30 DEEDHN C=CCCCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373321300 527152408 /nfs/dbraw/zinc/15/24/08/527152408.db2.gz FQXDEXMFFVDGSE-OAHLLOKOSA-N 0 3 309.454 2.237 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NCCCOCC ZINC000284972846 527161275 /nfs/dbraw/zinc/16/12/75/527161275.db2.gz DDYINXSGSMSIAS-WMZOPIPTSA-N 0 3 316.445 2.142 20 30 DEEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000341871950 527190051 /nfs/dbraw/zinc/19/00/51/527190051.db2.gz DPBVNBABVBICSP-OCCSQVGLSA-N 0 3 306.406 2.489 20 30 DEEDHN CC1(C)C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000280145838 527737510 /nfs/dbraw/zinc/73/75/10/527737510.db2.gz RHMLUKVSGGVODN-JKSUJKDBSA-N 0 3 311.385 2.314 20 30 DEEDHN CCN(CC#N)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000368638296 527883944 /nfs/dbraw/zinc/88/39/44/527883944.db2.gz MZSIUYAEQKZRAY-GHMZBOCLSA-N 0 3 305.344 2.267 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(CC#N)cc2)C1(C)C ZINC000444807248 527974715 /nfs/dbraw/zinc/97/47/15/527974715.db2.gz WEDRNAULYBJYKK-SJLPKXTDSA-N 0 3 302.418 2.408 20 30 DEEDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000330613467 529151741 /nfs/dbraw/zinc/15/17/41/529151741.db2.gz SDOPKYSVJZPJBE-CYBMUJFWSA-N 0 3 318.396 2.028 20 30 DEEDHN CN(C)CCOC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000358922023 535893079 /nfs/dbraw/zinc/89/30/79/535893079.db2.gz FWQIJNFHIRZWQJ-UHFFFAOYSA-N 0 3 308.813 2.154 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001358852122 1152503783 /nfs/dbraw/zinc/50/37/83/1152503783.db2.gz SAUIKZRMNREFSL-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1cc(C#N)ccc1OC)C2 ZINC000374700086 536842272 /nfs/dbraw/zinc/84/22/72/536842272.db2.gz MTTFOKUAOZEPMU-YJBOKZPZSA-N 0 3 314.385 2.342 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](OC)[C@@H](C)C1 ZINC000451542340 536884180 /nfs/dbraw/zinc/88/41/80/536884180.db2.gz JLCMZTNUFCSKIM-ZFWWWQNUSA-N 0 3 304.390 2.302 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc2nccn2c1)C(C)C ZINC001379002545 1152525105 /nfs/dbraw/zinc/52/51/05/1152525105.db2.gz WQVKUTZNIQJFLS-AWEZNQCLSA-N 0 3 320.824 2.431 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnc(C2CC2)nc1)C(C)C ZINC001379002140 1152525137 /nfs/dbraw/zinc/52/51/37/1152525137.db2.gz OLHIBJLNYOIICQ-AWEZNQCLSA-N 0 3 322.840 2.451 20 30 DEEDHN COC(=O)C[C@H]1CCCCN1C[C@H](O)c1cccc(C#N)c1 ZINC001414029136 1152533007 /nfs/dbraw/zinc/53/30/07/1152533007.db2.gz NBBGJOUULJKXFJ-CVEARBPZSA-N 0 3 302.374 2.009 20 30 DEEDHN C#CCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835066555 649874363 /nfs/dbraw/zinc/87/43/63/649874363.db2.gz YDJVRSKLFJRHCR-ONGXEEELSA-N 0 3 322.723 2.165 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000835068685 649874864 /nfs/dbraw/zinc/87/48/64/649874864.db2.gz HUIULXJHIYZHPW-ADEWGFFLSA-N 0 3 308.740 2.428 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001327607260 1148597228 /nfs/dbraw/zinc/59/72/28/1148597228.db2.gz MMPIBYXSMDNRHG-MOPGFXCFSA-N 0 3 318.461 2.089 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001327607096 1148597744 /nfs/dbraw/zinc/59/77/44/1148597744.db2.gz JZOGADQMAUSMOM-LJQANCHMSA-N 0 3 320.477 2.313 20 30 DEEDHN C=C(C)CN1Cc2ccc(CNC(=O)Cn3cncc3C)cc2C1 ZINC001327686040 1148623597 /nfs/dbraw/zinc/62/35/97/1148623597.db2.gz VGCIQGCWWDTLGC-UHFFFAOYSA-N 0 3 324.428 2.400 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001368781627 1148655188 /nfs/dbraw/zinc/65/51/88/1148655188.db2.gz ZXZFAAKTAIOHIW-HNNXBMFYSA-N 0 3 314.857 2.336 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(F)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001379354016 1152614013 /nfs/dbraw/zinc/61/40/13/1152614013.db2.gz SBDLHDGOBDHPBT-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)c(C)o1 ZINC001379454399 1152626864 /nfs/dbraw/zinc/62/68/64/1152626864.db2.gz UGQFRWHYMDXNCH-SECBINFHSA-N 0 3 318.402 2.133 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)n1cccc1 ZINC001379492864 1152632657 /nfs/dbraw/zinc/63/26/57/1152632657.db2.gz HDROFKPFOUJAJC-STQMWFEESA-N 0 3 316.430 2.277 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735413726 599476296 /nfs/dbraw/zinc/47/62/96/599476296.db2.gz YQUMFRIGUOAZBS-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735413726 599476298 /nfs/dbraw/zinc/47/62/98/599476298.db2.gz YQUMFRIGUOAZBS-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735413726 599476300 /nfs/dbraw/zinc/47/63/00/599476300.db2.gz YQUMFRIGUOAZBS-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735413726 599476301 /nfs/dbraw/zinc/47/63/01/599476301.db2.gz YQUMFRIGUOAZBS-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001379650750 1152664692 /nfs/dbraw/zinc/66/46/92/1152664692.db2.gz IWADZDBREBUTLI-ZIAGYGMSSA-N 0 3 301.862 2.048 20 30 DEEDHN C#CC[N@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CCCC1 ZINC000819701480 606784187 /nfs/dbraw/zinc/78/41/87/606784187.db2.gz JAANZSYSMCMKGQ-UHFFFAOYSA-N 0 3 320.400 2.497 20 30 DEEDHN C#CC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CCCC1 ZINC000819701480 606784189 /nfs/dbraw/zinc/78/41/89/606784189.db2.gz JAANZSYSMCMKGQ-UHFFFAOYSA-N 0 3 320.400 2.497 20 30 DEEDHN C#CC[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)C1CCCC1 ZINC000819701480 606784190 /nfs/dbraw/zinc/78/41/90/606784190.db2.gz JAANZSYSMCMKGQ-UHFFFAOYSA-N 0 3 320.400 2.497 20 30 DEEDHN C#CC[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)C1CCCC1 ZINC000819701480 606784191 /nfs/dbraw/zinc/78/41/91/606784191.db2.gz JAANZSYSMCMKGQ-UHFFFAOYSA-N 0 3 320.400 2.497 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2CCN(C(C)(C)C)CC2)n1C ZINC001355257631 1151996451 /nfs/dbraw/zinc/99/64/51/1151996451.db2.gz CTLVSXHSQMGEKS-AWEZNQCLSA-N 0 3 303.454 2.253 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001023465570 625281206 /nfs/dbraw/zinc/28/12/06/625281206.db2.gz XAYXLHOERODGLG-HNNXBMFYSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)ccc2OC)C1 ZINC001023473968 625287126 /nfs/dbraw/zinc/28/71/26/625287126.db2.gz XZHKPFOEROIGRP-HNNXBMFYSA-N 0 3 300.402 2.079 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnnc(C)c1 ZINC001025228618 625287666 /nfs/dbraw/zinc/28/76/66/625287666.db2.gz 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/nfs/dbraw/zinc/34/37/10/625343710.db2.gz UXLFMVCQHCCKEW-NXEZZACHSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025336353 625364093 /nfs/dbraw/zinc/36/40/93/625364093.db2.gz XZIXWVNEKHWWOY-GJZGRUSLSA-N 0 3 300.402 2.246 20 30 DEEDHN CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025336353 625364095 /nfs/dbraw/zinc/36/40/95/625364095.db2.gz XZIXWVNEKHWWOY-GJZGRUSLSA-N 0 3 300.402 2.246 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc3nccnc32)C1 ZINC001023672181 625381877 /nfs/dbraw/zinc/38/18/77/625381877.db2.gz WTYOOVIGOFMOKP-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cn(CCC)nc2C)C1 ZINC001023671762 625381903 /nfs/dbraw/zinc/38/19/03/625381903.db2.gz NRQMLGZLDABFSU-MRXNPFEDSA-N 0 3 316.449 2.067 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnc(F)c2)C1 ZINC001025363992 625381976 /nfs/dbraw/zinc/38/19/76/625381976.db2.gz DVGGZBPZWFMEOO-HIFRSBDPSA-N 0 3 303.381 2.074 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001023676235 625383922 /nfs/dbraw/zinc/38/39/22/625383922.db2.gz CHMYVCOJUWYNDP-CQSZACIVSA-N 0 3 303.406 2.255 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001023687375 625389470 /nfs/dbraw/zinc/38/94/70/625389470.db2.gz KBMCBVIAVCLMHF-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001023693203 625390652 /nfs/dbraw/zinc/39/06/52/625390652.db2.gz TXLZPJTVRXVCKD-HNNXBMFYSA-N 0 3 316.449 2.307 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001023693203 625390654 /nfs/dbraw/zinc/39/06/54/625390654.db2.gz TXLZPJTVRXVCKD-HNNXBMFYSA-N 0 3 316.449 2.307 20 30 DEEDHN C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001025382074 625394319 /nfs/dbraw/zinc/39/43/19/625394319.db2.gz SAZWQMIQMMGZAU-QDFGCFFBSA-N 0 3 320.824 2.469 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(COC)c(F)c2)C1 ZINC001023722214 625399732 /nfs/dbraw/zinc/39/97/32/625399732.db2.gz 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312.457 2.225 20 30 DEEDHN COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050678746 624060768 /nfs/dbraw/zinc/06/07/68/624060768.db2.gz QNIJXOGUVKVDMZ-MRXNPFEDSA-N 0 3 314.385 2.395 20 30 DEEDHN Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971208537 624069711 /nfs/dbraw/zinc/06/97/11/624069711.db2.gz MKHDBFKKFIRHPS-CJNGLKHVSA-N 0 3 303.381 2.327 20 30 DEEDHN COc1cccc(CN(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c1C ZINC000971211572 624071472 /nfs/dbraw/zinc/07/14/72/624071472.db2.gz SKGQAIWRXYSAAT-CJNGLKHVSA-N 0 3 315.417 2.196 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnn(CC(C)C)c2CC)C1 ZINC000971524485 624180436 /nfs/dbraw/zinc/18/04/36/624180436.db2.gz IHOJHXIZILUMBM-OAHLLOKOSA-N 0 3 318.465 2.434 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC000971609607 624195781 /nfs/dbraw/zinc/19/57/81/624195781.db2.gz XHOSFPUHVPGJHV-CQSZACIVSA-N 0 3 312.369 2.125 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000971625971 624200576 /nfs/dbraw/zinc/20/05/76/624200576.db2.gz RUIWOPHSXFMBEQ-OAHLLOKOSA-N 0 3 302.422 2.331 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001026745644 625713417 /nfs/dbraw/zinc/71/34/17/625713417.db2.gz FNPSYMOPASYJCY-OAHLLOKOSA-N 0 3 309.413 2.463 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC000971645701 624471481 /nfs/dbraw/zinc/47/14/81/624471481.db2.gz USMZCJDLWJCQCH-CRAIPNDOSA-N 0 3 314.429 2.444 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001022189264 624494039 /nfs/dbraw/zinc/49/40/39/624494039.db2.gz SYKQFVNJDVSWAL-TXEJJXNPSA-N 0 3 309.797 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001022214785 624505389 /nfs/dbraw/zinc/50/53/89/624505389.db2.gz XAEHVXIJCASXAW-TXEJJXNPSA-N 0 3 309.797 2.002 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3ncn(C)c32)C[C@@H]1C ZINC000947467801 624580800 /nfs/dbraw/zinc/58/08/00/624580800.db2.gz DYFNBRPWUVRNDI-GJZGRUSLSA-N 0 3 324.428 2.179 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)C[C@H]1C ZINC000947467804 624581239 /nfs/dbraw/zinc/58/12/39/624581239.db2.gz DYFNBRPWUVRNDI-HUUCEWRRSA-N 0 3 324.428 2.179 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)C[C@@H]1C ZINC000947467806 624582698 /nfs/dbraw/zinc/58/26/98/624582698.db2.gz DYFNBRPWUVRNDI-LSDHHAIUSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2occ3c2CCCC3)C1 ZINC001027661314 634402594 /nfs/dbraw/zinc/40/25/94/634402594.db2.gz HXNZMYNXDRIECD-HNNXBMFYSA-N 0 3 300.402 2.328 20 30 DEEDHN COc1ccccc1N1CCCN(CCO[C@H](C)C#N)CC1 ZINC000934177516 624768841 /nfs/dbraw/zinc/76/88/41/624768841.db2.gz IDCBBPXTTSPASD-OAHLLOKOSA-N 0 3 303.406 2.136 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000972044534 624792358 /nfs/dbraw/zinc/79/23/58/624792358.db2.gz JLTUDZHVJDARFO-LBPRGKRZSA-N 0 3 313.323 2.433 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cccnc3OC)C2)C1 ZINC001022674438 624813010 /nfs/dbraw/zinc/81/30/10/624813010.db2.gz ABQFZBNSHVJWQZ-GASCZTMLSA-N 0 3 315.417 2.183 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(F)F)c(F)c3)[C@@H]2C1 ZINC000978752197 634411270 /nfs/dbraw/zinc/41/12/70/634411270.db2.gz LYBHGCPJFSFAOO-ZSOGYDGISA-N 0 3 322.330 2.304 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC000972080239 624825309 /nfs/dbraw/zinc/82/53/09/624825309.db2.gz UBKIYVVOQGSLGW-AWEZNQCLSA-N 0 3 324.856 2.281 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)c1 ZINC001022685601 624829867 /nfs/dbraw/zinc/82/98/67/624829867.db2.gz UUIMWHKJVSTKAA-CALCHBBNSA-N 0 3 323.371 2.253 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2cccc(N(C)C)c2)C1 ZINC000972156581 624871950 /nfs/dbraw/zinc/87/19/50/624871950.db2.gz OTTFSMHBNAVYRY-GOSISDBHSA-N 0 3 315.461 2.404 20 30 DEEDHN C=CC[C@@H]1CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000934459025 624882081 /nfs/dbraw/zinc/88/20/81/624882081.db2.gz AWDAZCDLBYIGPE-IAGOWNOFSA-N 0 3 301.434 2.056 20 30 DEEDHN C=CCOCCN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934496324 624894045 /nfs/dbraw/zinc/89/40/45/624894045.db2.gz VJVMPSAAZRTQTF-AWEZNQCLSA-N 0 3 314.223 2.449 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(CC1CCCCC1)CCO2 ZINC000972297056 624918575 /nfs/dbraw/zinc/91/85/75/624918575.db2.gz FSBKLPHJPCONGA-CRAIPNDOSA-N 0 3 319.449 2.030 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000177601981 625025718 /nfs/dbraw/zinc/02/57/18/625025718.db2.gz FHYLEDBINQSCBO-BXUZGUMPSA-N 0 3 318.348 2.268 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1OC ZINC001024771424 625048460 /nfs/dbraw/zinc/04/84/60/625048460.db2.gz GOGBAFYKEQPEQC-OAHLLOKOSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(C3CC3)cnn2C)C1 ZINC000998879653 634430760 /nfs/dbraw/zinc/43/07/60/634430760.db2.gz GBZGGOKJLYYODB-UHFFFAOYSA-N 0 3 322.840 2.243 20 30 DEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001024828953 625070864 /nfs/dbraw/zinc/07/08/64/625070864.db2.gz QPGXBOJNZHUXDR-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)C1 ZINC001022978961 625124055 /nfs/dbraw/zinc/12/40/55/625124055.db2.gz CNUYNTYYHFHOJP-PHIMTYICSA-N 0 3 304.781 2.166 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)cn1 ZINC001022992206 625127337 /nfs/dbraw/zinc/12/73/37/625127337.db2.gz DBQHUGMJGBGFBJ-CALCHBBNSA-N 0 3 323.371 2.253 20 30 DEEDHN CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001023008360 625132471 /nfs/dbraw/zinc/13/24/71/625132471.db2.gz ZYXGURYGIGEIFY-OKILXGFUSA-N 0 3 303.381 2.480 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC000972502907 625144614 /nfs/dbraw/zinc/14/46/14/625144614.db2.gz ZAYBDVVJTRJANN-CHWSQXEVSA-N 0 3 321.446 2.327 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001026135652 625150256 /nfs/dbraw/zinc/15/02/56/625150256.db2.gz JIWWEZJMESEKJB-ZNFSNMQZSA-N 0 3 306.450 2.060 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001023180590 625176382 /nfs/dbraw/zinc/17/63/82/625176382.db2.gz NNUWOBPQQGZFCW-BETUJISGSA-N 0 3 310.829 2.375 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001023178729 625176390 /nfs/dbraw/zinc/17/63/90/625176390.db2.gz KWAUDDKKBYWXPH-FPMFFAJLSA-N 0 3 300.830 2.038 20 30 DEEDHN N#Cc1ccc(COC(=O)C2CCCN(C3CC3)C2=O)c(F)c1 ZINC000924066990 625213436 /nfs/dbraw/zinc/21/34/36/625213436.db2.gz IYOHCBSBFFIFJQ-AWEZNQCLSA-N 0 3 316.332 2.142 20 30 DEEDHN CC[C@@H](F)CN1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319669 625227832 /nfs/dbraw/zinc/22/78/32/625227832.db2.gz GHDAZFCHPNSTKO-TZMCWYRMSA-N 0 3 306.385 2.076 20 30 DEEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)NC1CCCC1 ZINC000181014780 625244062 /nfs/dbraw/zinc/24/40/62/625244062.db2.gz CZTJFLUFUVPUKY-LBPRGKRZSA-N 0 3 306.312 2.275 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001023401981 625254303 /nfs/dbraw/zinc/25/43/03/625254303.db2.gz CHLZTQUSYVOVHW-HNNXBMFYSA-N 0 3 316.449 2.022 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001023406654 625256544 /nfs/dbraw/zinc/25/65/44/625256544.db2.gz PVCGCAHULKYAMD-CYBMUJFWSA-N 0 3 321.371 2.484 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001023413870 625258996 /nfs/dbraw/zinc/25/89/96/625258996.db2.gz JBAUZXZUEGUSNL-LLVKDONJSA-N 0 3 320.824 2.016 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cncc(Cl)c2C)C1 ZINC001023427189 625263291 /nfs/dbraw/zinc/26/32/91/625263291.db2.gz BCTOETYREGHWAK-CYBMUJFWSA-N 0 3 305.809 2.118 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cncc(Cl)c2C)C1 ZINC001023427190 625263737 /nfs/dbraw/zinc/26/37/37/625263737.db2.gz BCTOETYREGHWAK-ZDUSSCGKSA-N 0 3 305.809 2.118 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2snnc2C2CC2)C1 ZINC001023431099 625265020 /nfs/dbraw/zinc/26/50/20/625265020.db2.gz YQXUQOKVGIFLGC-LLVKDONJSA-N 0 3 306.435 2.043 20 30 DEEDHN C#CCCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnns1 ZINC001025208559 625266324 /nfs/dbraw/zinc/26/63/24/625266324.db2.gz WLKJBDPKNDEOQD-UONOGXRCSA-N 0 3 318.446 2.021 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001023453909 625276131 /nfs/dbraw/zinc/27/61/31/625276131.db2.gz KPSUXHBHKREZAW-HOCLYGCPSA-N 0 3 316.449 2.238 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892464514 625746312 /nfs/dbraw/zinc/74/63/12/625746312.db2.gz FDGLLIKADMXMNY-ZIAGYGMSSA-N 0 3 306.406 2.351 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001024462000 625789376 /nfs/dbraw/zinc/78/93/76/625789376.db2.gz LPSFLBATIALFKM-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001024462002 625789401 /nfs/dbraw/zinc/78/94/01/625789401.db2.gz LPSFLBATIALFKM-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024484178 625808220 /nfs/dbraw/zinc/80/82/20/625808220.db2.gz MUGZLPHVZAFBST-MRXNPFEDSA-N 0 3 313.445 2.432 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001024495796 625818047 /nfs/dbraw/zinc/81/80/47/625818047.db2.gz QAZLJPJHARPXTF-MRXNPFEDSA-N 0 3 310.401 2.122 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001024537010 625855642 /nfs/dbraw/zinc/85/56/42/625855642.db2.gz ZCPCJGJBXFZBDH-AWEZNQCLSA-N 0 3 318.392 2.442 20 30 DEEDHN CC1(C)CO[C@@H](CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000892484391 625868297 /nfs/dbraw/zinc/86/82/97/625868297.db2.gz IRIVSUZQXHYUKH-GJZGRUSLSA-N 0 3 314.385 2.217 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001024585238 625907999 /nfs/dbraw/zinc/90/79/99/625907999.db2.gz BREICKHVLZMWCW-HNNXBMFYSA-N 0 3 318.392 2.442 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H]2CCCCN2CCCF)c1 ZINC001024644329 625950351 /nfs/dbraw/zinc/95/03/51/625950351.db2.gz OSTQAGGUCYRCTQ-MRXNPFEDSA-N 0 3 303.381 2.007 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001024661916 625955663 /nfs/dbraw/zinc/95/56/63/625955663.db2.gz QQANPQRIEOKEAI-OKZBNKHCSA-N 0 3 311.429 2.179 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2C1 ZINC000978983496 634468340 /nfs/dbraw/zinc/46/83/40/634468340.db2.gz CDMMKJYDYDSHQQ-XYYAHUGASA-N 0 3 320.795 2.410 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccsc3C(F)F)[C@@H]2C1 ZINC000979003143 634475617 /nfs/dbraw/zinc/47/56/17/634475617.db2.gz FSQHJIKDTKPOBH-CNDDSTCGSA-N 0 3 310.369 2.227 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3sc(C(C)C)nc3C)[C@@H]2C1 ZINC000979069169 634494299 /nfs/dbraw/zinc/49/42/99/634494299.db2.gz JKAQBYJRBMXVKU-ZSOGYDGISA-N 0 3 317.458 2.116 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc3cccnn32)C1 ZINC000999519621 634617267 /nfs/dbraw/zinc/61/72/67/634617267.db2.gz GUAZEXIINYFNCE-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cncnc2C2CC2)C1 ZINC000999768656 634671473 /nfs/dbraw/zinc/67/14/73/634671473.db2.gz SBGDVNRTTDWVST-UHFFFAOYSA-N 0 3 320.824 2.299 20 30 DEEDHN CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979520606 634674110 /nfs/dbraw/zinc/67/41/10/634674110.db2.gz RUKJYNAROBYFKB-HRCADAONSA-N 0 3 312.413 2.246 20 30 DEEDHN CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979520606 634674116 /nfs/dbraw/zinc/67/41/16/634674116.db2.gz RUKJYNAROBYFKB-HRCADAONSA-N 0 3 312.413 2.246 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC000999876942 634698441 /nfs/dbraw/zinc/69/84/41/634698441.db2.gz QIECBKJPHGIEPR-TZMCWYRMSA-N 0 3 319.453 2.357 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000999902636 634700467 /nfs/dbraw/zinc/70/04/67/634700467.db2.gz HNKOTCICYZGTMV-LALPHHSUSA-N 0 3 303.431 2.356 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccnn3C)C[C@@H]2C1 ZINC000979592349 634706857 /nfs/dbraw/zinc/70/68/57/634706857.db2.gz BDYSFYOMTBZUQN-BFHYXJOUSA-N 0 3 322.840 2.003 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cscn3)CC2)CC1 ZINC001000097495 634740294 /nfs/dbraw/zinc/74/02/94/634740294.db2.gz NFSCYYIEXRVGQP-UHFFFAOYSA-N 0 3 303.431 2.141 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCCO[C@@H]3C)CC2)CC1 ZINC001000137113 634762843 /nfs/dbraw/zinc/76/28/43/634762843.db2.gz GFYGNKROVUXFJR-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2OC)C[C@@H]1C ZINC000947949720 634789655 /nfs/dbraw/zinc/78/96/55/634789655.db2.gz ZKVHGRQJQALBLE-GJZGRUSLSA-N 0 3 300.402 2.220 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCO[C@H]3CC)CC2)CC1 ZINC001000222375 634800201 /nfs/dbraw/zinc/80/02/01/634800201.db2.gz HBJBHWUOHPDCOZ-SJORKVTESA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1SCC ZINC000836341501 650081089 /nfs/dbraw/zinc/08/10/89/650081089.db2.gz PSMACDOOMRITTB-GJZGRUSLSA-N 0 3 311.495 2.305 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000836490308 650097520 /nfs/dbraw/zinc/09/75/20/650097520.db2.gz UAJQNRPDMVTGLI-STQMWFEESA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1csc2cncn21 ZINC001024691715 632927739 /nfs/dbraw/zinc/92/77/39/632927739.db2.gz ZZHZSAXQYRCHCZ-ZDUSSCGKSA-N 0 3 316.430 2.003 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001024726637 632950005 /nfs/dbraw/zinc/95/00/05/632950005.db2.gz WZRGVAHETIHEIW-CYBMUJFWSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995920401 633139878 /nfs/dbraw/zinc/13/98/78/633139878.db2.gz BFHPKTOXUUVRTH-BZPMIXESSA-N 0 3 322.840 2.092 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000121448952 650112913 /nfs/dbraw/zinc/11/29/13/650112913.db2.gz ZBAQROKYBCCNMO-LBPRGKRZSA-N 0 3 315.354 2.421 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn3c(n2)CCCC3)C(C)(C)C1 ZINC000974637717 633198707 /nfs/dbraw/zinc/19/87/07/633198707.db2.gz BXXBMORKGJNNSJ-HNNXBMFYSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cncc(F)c3)C[C@]2(C)C1 ZINC000982255758 635925960 /nfs/dbraw/zinc/92/59/60/635925960.db2.gz IHGSFDUUORHSBF-CALCHBBNSA-N 0 3 303.381 2.191 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)C(C)(C)C1 ZINC000974691845 633243113 /nfs/dbraw/zinc/24/31/13/633243113.db2.gz LJNUKOQWDUCKDS-MRXNPFEDSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(F)cn2)C(C)(C)C1 ZINC000974740770 633282229 /nfs/dbraw/zinc/28/22/29/633282229.db2.gz HNKSEAPUGFEIKN-HNNXBMFYSA-N 0 3 305.397 2.166 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn3cc(C)ccc3n2)C(C)(C)C1 ZINC000974752086 633287293 /nfs/dbraw/zinc/28/72/93/633287293.db2.gz KPTZZACEMMGYKT-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001026992834 633338558 /nfs/dbraw/zinc/33/85/58/633338558.db2.gz TYDRVBVSCFQTMT-UONOGXRCSA-N 0 3 302.422 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cn(C(C)C)cn2)C(C)(C)C1 ZINC000974877328 633346262 /nfs/dbraw/zinc/34/62/62/633346262.db2.gz SEKDRWJIMMWGGL-OAHLLOKOSA-N 0 3 304.438 2.480 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](CNCc3ccn(C)n3)C2)CC1 ZINC001027041178 633367991 /nfs/dbraw/zinc/36/79/91/633367991.db2.gz QPCNZQHDCGDNHF-OAHLLOKOSA-N 0 3 316.449 2.105 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c[nH]c3cnccc23)C(C)(C)C1 ZINC000974953646 633379180 /nfs/dbraw/zinc/37/91/80/633379180.db2.gz IGNOWYGCWAJHNI-INIZCTEOSA-N 0 3 312.417 2.118 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001027132312 633452035 /nfs/dbraw/zinc/45/20/35/633452035.db2.gz KPSDFZZDFUJMEW-HNNXBMFYSA-N 0 3 323.396 2.332 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC000996872953 633485465 /nfs/dbraw/zinc/48/54/65/633485465.db2.gz LDNXIQAWAQCRFV-UHFFFAOYSA-N 0 3 302.422 2.078 20 30 DEEDHN CCOCCC[N@@H+]1CCC(N=Nc2nc(C)cc(=O)[n-]2)[C@@H](C)C1 ZINC000735224511 633486927 /nfs/dbraw/zinc/48/69/27/633486927.db2.gz TUTYCEMUMDVQKU-LBPRGKRZSA-N 0 3 321.425 2.027 20 30 DEEDHN CCOCCC[N@H+]1CCC(N=Nc2nc(C)cc(=O)[n-]2)[C@@H](C)C1 ZINC000735224511 633486930 /nfs/dbraw/zinc/48/69/30/633486930.db2.gz TUTYCEMUMDVQKU-LBPRGKRZSA-N 0 3 321.425 2.027 20 30 DEEDHN CCOCCCN1CCC(=NNc2nc(=O)cc(C)[nH]2)[C@@H](C)C1 ZINC000735224511 633486935 /nfs/dbraw/zinc/48/69/35/633486935.db2.gz TUTYCEMUMDVQKU-LBPRGKRZSA-N 0 3 321.425 2.027 20 30 DEEDHN CC[C@H](F)CN1CCC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000997030576 633562088 /nfs/dbraw/zinc/56/20/88/633562088.db2.gz UTGMYCSHGXFTEZ-DOMZBBRYSA-N 0 3 320.412 2.465 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2[nH]c(C)cc2C)CC1 ZINC000997182546 633667339 /nfs/dbraw/zinc/66/73/39/633667339.db2.gz YZNSDFILDKKKNN-OAHLLOKOSA-N 0 3 301.434 2.485 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cn(C(C)C)cn2)CC1 ZINC000997244107 633687855 /nfs/dbraw/zinc/68/78/55/633687855.db2.gz NKGSQQJKXBRDHV-OAHLLOKOSA-N 0 3 316.449 2.318 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccn3ccnc23)CC1 ZINC000997346080 633708754 /nfs/dbraw/zinc/70/87/54/633708754.db2.gz YPJFBFKGGNHXEN-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2nc(C(C)C)oc2C)C1 ZINC001027412326 633753232 /nfs/dbraw/zinc/75/32/32/633753232.db2.gz ZCGCVNRMHOUUBB-CQSZACIVSA-N 0 3 303.406 2.276 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2)C[C@@H]1C ZINC000947921993 633777022 /nfs/dbraw/zinc/77/70/22/633777022.db2.gz SUMVOGQQUPWFBD-HOCLYGCPSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3c(o2)CCCC3)C1 ZINC001027438187 633790031 /nfs/dbraw/zinc/79/00/31/633790031.db2.gz ICXQWDNTTCJPNU-OAHLLOKOSA-N 0 3 300.402 2.328 20 30 DEEDHN OCCCCCN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000931492630 633795938 /nfs/dbraw/zinc/79/59/38/633795938.db2.gz OGRURSAKYNDGHC-UHFFFAOYSA-N 0 3 320.864 2.472 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(C)n2C)CC1 ZINC000997486520 633803790 /nfs/dbraw/zinc/80/37/90/633803790.db2.gz FACLPFDYQCBQEO-HNNXBMFYSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001027456874 633819328 /nfs/dbraw/zinc/81/93/28/633819328.db2.gz PSSHSFNPKXWIBH-OAHLLOKOSA-N 0 3 311.385 2.306 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001027456873 633819849 /nfs/dbraw/zinc/81/98/49/633819849.db2.gz PSSHSFNPKXWIBH-HNNXBMFYSA-N 0 3 311.385 2.306 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cncc(F)c2)CC1 ZINC000997538588 633838077 /nfs/dbraw/zinc/83/80/77/633838077.db2.gz IVGJCPSSYJNYTD-ZDUSSCGKSA-N 0 3 303.381 2.074 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1N(C)C ZINC000888363419 633839287 /nfs/dbraw/zinc/83/92/87/633839287.db2.gz LWGLMEAAGNFBQF-UONOGXRCSA-N 0 3 322.409 2.207 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3cccnc23)C[C@H]1C ZINC000947928486 633853225 /nfs/dbraw/zinc/85/32/25/633853225.db2.gz BFZXKKXPWDHWPL-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc3ncccc23)C1 ZINC001027488913 633877832 /nfs/dbraw/zinc/87/78/32/633877832.db2.gz HRJAUFSRALCIEN-QGZVFWFLSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccnn2[C@@H](C)CC)CC1 ZINC000997605634 633897647 /nfs/dbraw/zinc/89/76/47/633897647.db2.gz XTXDNHDOUYPRIY-GJZGRUSLSA-N 0 3 316.449 2.318 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccn3nccc23)CC1 ZINC000997660087 633914533 /nfs/dbraw/zinc/91/45/33/633914533.db2.gz NZZBEMMWKJGDCG-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000997662339 633918651 /nfs/dbraw/zinc/91/86/51/633918651.db2.gz ACPMYZVJUNZTLW-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccn3ccccc23)CC1 ZINC000997672909 633924679 /nfs/dbraw/zinc/92/46/79/633924679.db2.gz QHINGUQFLGAGKM-HNNXBMFYSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000997705354 633940919 /nfs/dbraw/zinc/94/09/19/633940919.db2.gz BXQDRVYZMCIQJI-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnc(Cl)n2C)CC1 ZINC000948617768 633968881 /nfs/dbraw/zinc/96/88/81/633968881.db2.gz VJIFWEREVCKSOR-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2snnc2C(C)C)CC1 ZINC000997808045 633992531 /nfs/dbraw/zinc/99/25/31/633992531.db2.gz HMQZOGWULQBAIC-LBPRGKRZSA-N 0 3 320.462 2.125 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C(C)(C)C1 ZINC000977454985 633992775 /nfs/dbraw/zinc/99/27/75/633992775.db2.gz QQCUSANVLLCKIL-ZDUSSCGKSA-N 0 3 324.856 2.266 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)on2)CC1 ZINC000997912845 634050147 /nfs/dbraw/zinc/05/01/47/634050147.db2.gz IGDVNRLAMZZHLM-HNNXBMFYSA-N 0 3 303.406 2.323 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2c(C)cnn2C)CC1 ZINC000998089921 634137690 /nfs/dbraw/zinc/13/76/90/634137690.db2.gz RXDCDWXJQGETLO-INIZCTEOSA-N 0 3 316.449 2.068 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2conc2C)CC1 ZINC000998101460 634141971 /nfs/dbraw/zinc/14/19/71/634141971.db2.gz GXYFIPZGBNKAQT-OAHLLOKOSA-N 0 3 303.406 2.323 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2[nH]cnc2C)CC1 ZINC000998213430 634169590 /nfs/dbraw/zinc/16/95/90/634169590.db2.gz XJGZKHAOOHACFG-OAHLLOKOSA-N 0 3 302.422 2.058 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2[nH]ccc2C)CC[C@@H]1C(F)(F)F ZINC000998259166 634191036 /nfs/dbraw/zinc/19/10/36/634191036.db2.gz IENRLVRHUGSIRV-RYUDHWBXSA-N 0 3 315.339 2.492 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccccc4s3)[C@@H]2C1 ZINC000978472238 634323678 /nfs/dbraw/zinc/32/36/78/634323678.db2.gz WHSPSOHGDWKKFC-QKDCVEJESA-N 0 3 310.422 2.442 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000998549298 634323766 /nfs/dbraw/zinc/32/37/66/634323766.db2.gz AQOYWNIJLVGOSJ-MRXNPFEDSA-N 0 3 315.417 2.303 20 30 DEEDHN CS[C@@H](C)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998592904 634342495 /nfs/dbraw/zinc/34/24/95/634342495.db2.gz RLMLQDGBOKAYQU-RYUDHWBXSA-N 0 3 323.487 2.452 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCC3(F)F)[C@@H]2C1 ZINC000978545035 634350651 /nfs/dbraw/zinc/35/06/51/634350651.db2.gz LBTBWMWJHOBKEH-XQLPTFJDSA-N 0 3 310.388 2.129 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4ncccc43)[C@@H]2C1 ZINC000978547679 634351706 /nfs/dbraw/zinc/35/17/06/634351706.db2.gz ABEBEAWHMMWWKY-NNZMDNLPSA-N 0 3 319.408 2.166 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ncoc2C(C)(C)C)C1 ZINC001027641283 634369250 /nfs/dbraw/zinc/36/92/50/634369250.db2.gz HZVBEKPYRBKONA-ZDUSSCGKSA-N 0 3 303.406 2.142 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)Cc3cnoc3)C[C@@H]2C1 ZINC000980151584 634864886 /nfs/dbraw/zinc/86/48/86/634864886.db2.gz DDMIELZHAXQZTN-ZNMIVQPWSA-N 0 3 323.824 2.186 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001027927236 634987197 /nfs/dbraw/zinc/98/71/97/634987197.db2.gz MFRJVASDERONES-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001027928989 634989762 /nfs/dbraw/zinc/98/97/62/634989762.db2.gz DHIKPGGBDQBUFA-LBPRGKRZSA-N 0 3 320.824 2.158 20 30 DEEDHN C#CCN(C(=O)N[C@@H](C)c1cnccc1C)C1CCN(C)CC1 ZINC000921758018 635144529 /nfs/dbraw/zinc/14/45/29/635144529.db2.gz JAFFNFRFQIOACX-HNNXBMFYSA-N 0 3 314.433 2.190 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3c[nH]c4ncccc34)CC2)CC1 ZINC001000330832 635148404 /nfs/dbraw/zinc/14/84/04/635148404.db2.gz ZFPGJSIENSDAIH-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001028008390 635234047 /nfs/dbraw/zinc/23/40/47/635234047.db2.gz ASKUSVNQACTJFE-HNNXBMFYSA-N 0 3 300.402 2.221 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000980935379 635243844 /nfs/dbraw/zinc/24/38/44/635243844.db2.gz MDCVSECMOBLBNB-JKSUJKDBSA-N 0 3 323.400 2.112 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001000702051 635270076 /nfs/dbraw/zinc/27/00/76/635270076.db2.gz OVBFQHMSBVTRSZ-IRXDYDNUSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)C[C@H]1C ZINC000947726022 635280425 /nfs/dbraw/zinc/28/04/25/635280425.db2.gz HMEZJTHBLTUMRX-ZBFHGGJFSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccn(CC(C)C)n2)CC1 ZINC001000733049 635280845 /nfs/dbraw/zinc/28/08/45/635280845.db2.gz INDNOIABLHZMDZ-UHFFFAOYSA-N 0 3 302.422 2.087 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001028025035 635284237 /nfs/dbraw/zinc/28/42/37/635284237.db2.gz BOQUJQRYIDWKQV-HOCLYGCPSA-N 0 3 318.392 2.143 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000947726837 635322925 /nfs/dbraw/zinc/32/29/25/635322925.db2.gz SYIDYEVRUCPPBC-RDJZCZTQSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001028064015 635397765 /nfs/dbraw/zinc/39/77/65/635397765.db2.gz XSJLOMVXNHPOGU-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN N#Cc1cccc(CN2CCC(CNC(=O)c3cocn3)CC2)c1 ZINC001001239100 635437703 /nfs/dbraw/zinc/43/77/03/635437703.db2.gz YTIYDIBDTPINBF-UHFFFAOYSA-N 0 3 324.384 2.188 20 30 DEEDHN O=C(C#CC1CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000837414497 650196250 /nfs/dbraw/zinc/19/62/50/650196250.db2.gz VYEJGMUZGAAMFP-UHFFFAOYSA-N 0 3 306.475 2.268 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Cc3cccc(F)c3O2)CC1 ZINC001001467860 635502939 /nfs/dbraw/zinc/50/29/39/635502939.db2.gz SDKJXINYAGPILP-INIZCTEOSA-N 0 3 316.376 2.064 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC001001491153 635510465 /nfs/dbraw/zinc/51/04/65/635510465.db2.gz FPXBYTBCIFXIIU-UHFFFAOYSA-N 0 3 322.840 2.091 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2Cc3cccc(C)c3O2)CC1 ZINC001001501533 635513500 /nfs/dbraw/zinc/51/35/00/635513500.db2.gz JPCVBPJIFWXONE-QGZVFWFLSA-N 0 3 312.413 2.233 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000981528870 635516978 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CCOC(=O)[C@@H]1CC[C@@H](NCc2nc(C#N)cs2)C[C@@H]1C ZINC000897628429 640878836 /nfs/dbraw/zinc/87/88/36/640878836.db2.gz IVCKPGMXEZQUNX-DMDPSCGWSA-N 0 3 307.419 2.472 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000841992773 650622149 /nfs/dbraw/zinc/62/21/49/650622149.db2.gz XAWORFCRTQXIKJ-FUHWJXTLSA-N 0 3 312.417 2.209 20 30 DEEDHN COC(=O)c1cc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000897987212 640996174 /nfs/dbraw/zinc/99/61/74/640996174.db2.gz OPVAXLHKSDXYTN-UPJWGTAASA-N 0 3 302.378 2.177 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OCC)c(C)c2)C1 ZINC000989510469 641132343 /nfs/dbraw/zinc/13/23/43/641132343.db2.gz GRXASPHBDUYLAJ-HOCLYGCPSA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000989516729 641133534 /nfs/dbraw/zinc/13/35/34/641133534.db2.gz IODBVGFRWDZBMI-QGZVFWFLSA-N 0 3 302.418 2.485 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000989535447 641136892 /nfs/dbraw/zinc/13/68/92/641136892.db2.gz 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/nfs/dbraw/zinc/18/49/11/641184911.db2.gz FNOHUXVBYKAHCD-HOCLYGCPSA-N 0 3 316.449 2.063 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C(CC)CC)c2C)C1 ZINC000989661725 641187138 /nfs/dbraw/zinc/18/71/38/641187138.db2.gz RRRNGCWXPUMBFR-UKRRQHHQSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC000989670779 641189959 /nfs/dbraw/zinc/18/99/59/641189959.db2.gz JQSOIUXSIIQJCQ-UHFFFAOYSA-N 0 3 314.389 2.394 20 30 DEEDHN N#CCOc1ccc(CN2CCOC3(CCOCC3)CC2)cc1 ZINC000769229121 641200044 /nfs/dbraw/zinc/20/00/44/641200044.db2.gz WOZNEXRRXHATDL-UHFFFAOYSA-N 0 3 316.401 2.360 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769285420 641210051 /nfs/dbraw/zinc/21/00/51/641210051.db2.gz YYNNPLGZEZCJFN-LSDHHAIUSA-N 0 3 320.364 2.337 20 30 DEEDHN C=C(Cl)CN1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728867 641211389 /nfs/dbraw/zinc/21/13/89/641211389.db2.gz YLZVHFVTNRTYAG-GASCZTMLSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000989804949 641231237 /nfs/dbraw/zinc/23/12/37/641231237.db2.gz XQVNKMRCQCQAJB-UHFFFAOYSA-N 0 3 305.397 2.264 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)N1CCC(NCc2cc(F)ccc2C#N)CC1 ZINC000989892382 641275347 /nfs/dbraw/zinc/27/53/47/641275347.db2.gz JAHHFKQPKSZAER-PXAZEXFGSA-N 0 3 315.392 2.434 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COC1(C)CCC1 ZINC000772973030 641711608 /nfs/dbraw/zinc/71/16/08/641711608.db2.gz ZJMJOYQOLDKBJZ-LBPRGKRZSA-N 0 3 316.357 2.302 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCc3ncc(Br)n3C2)o1 ZINC000898723020 641764707 /nfs/dbraw/zinc/76/47/07/641764707.db2.gz AXCYBRDZFHZXBV-VIFPVBQESA-N 0 3 321.178 2.215 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3CCCO[C@H]3C=C)CCC[C@H]12 ZINC000990739548 641841610 /nfs/dbraw/zinc/84/16/10/641841610.db2.gz IZSHSSNWGYABGF-CVYDXHPNSA-N 0 3 304.434 2.267 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899047697 641911495 /nfs/dbraw/zinc/91/14/95/641911495.db2.gz RSMBECBKGLSEAD-SECBINFHSA-N 0 3 305.769 2.199 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227339 642017825 /nfs/dbraw/zinc/01/78/25/642017825.db2.gz OBXNJJKZDPAVGJ-OAHLLOKOSA-N 0 3 312.325 2.487 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccccc1OC)[C@H]1CCCO1 ZINC000775571744 642060201 /nfs/dbraw/zinc/06/02/01/642060201.db2.gz KWVJBJKYRVZKCW-GRDNDAEWSA-N 0 3 316.401 2.183 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cn1 ZINC000775920722 642113299 /nfs/dbraw/zinc/11/32/99/642113299.db2.gz CQZKQVYEEPMREK-OAHLLOKOSA-N 0 3 307.397 2.313 20 30 DEEDHN C#CCSCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900795318 642473237 /nfs/dbraw/zinc/47/32/37/642473237.db2.gz MOLYUPWUWRCETE-UHFFFAOYSA-N 0 3 301.415 2.387 20 30 DEEDHN CN(C)CCn1nnnc1SCCCCC1(C#N)CCC1 ZINC000901466483 642675509 /nfs/dbraw/zinc/67/55/09/642675509.db2.gz MOBSBNSUJXPGFR-UHFFFAOYSA-N 0 3 308.455 2.191 20 30 DEEDHN C=CC[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000901706990 642762697 /nfs/dbraw/zinc/76/26/97/642762697.db2.gz SNPNTNNXZGSXQG-IRXDYDNUSA-N 0 3 319.449 2.063 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DEEDHN N#CC(C(=O)[C@H]1CCNC(=O)CC1)c1ccc2ccccc2n1 ZINC000815899241 647063320 /nfs/dbraw/zinc/06/33/20/647063320.db2.gz JXSFPUZNWIEWBI-ZIAGYGMSSA-N 0 3 307.353 2.327 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccc4c(c3)CCC4)CCC[C@@H]12 ZINC000992489002 647063644 /nfs/dbraw/zinc/06/36/44/647063644.db2.gz FVTJOHOKGUYEFV-TZIWHRDSSA-N 0 3 322.452 2.464 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3ccc(C)nc3)CCC[C@H]12 ZINC000992506642 647078644 /nfs/dbraw/zinc/07/86/44/647078644.db2.gz UFFYYKHXKTXSFA-HKUYNNGSSA-N 0 3 311.429 2.069 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCOCC3)CCC[C@H]12 ZINC000992542092 647100708 /nfs/dbraw/zinc/10/07/08/647100708.db2.gz DATJFBUORWJPQK-QILLFSRXSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCN(CC)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC000929789223 647139867 /nfs/dbraw/zinc/13/98/67/647139867.db2.gz VPMIWNSVPVFJTK-MAUKXSAKSA-N 0 3 322.449 2.358 20 30 DEEDHN C#CCN(C(=O)NCCCN1CCc2ccccc2C1)C(C)C ZINC000914079134 647145333 /nfs/dbraw/zinc/14/53/33/647145333.db2.gz 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ZINC000993477516 647675931 /nfs/dbraw/zinc/67/59/31/647675931.db2.gz NNEWXBZKMXSGGR-WBVHZDCISA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@H]1C ZINC000993453140 647677332 /nfs/dbraw/zinc/67/73/32/647677332.db2.gz JIBHZBHDTKBKGE-CZUORRHYSA-N 0 3 310.401 2.121 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@@H]1C ZINC000993484998 647684370 /nfs/dbraw/zinc/68/43/70/647684370.db2.gz ZZGVTWMGOWYUIP-SWLSCSKDSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn(C)nc2CC)[C@@H]1C ZINC000993488296 647685736 /nfs/dbraw/zinc/68/57/36/647685736.db2.gz NKQNGFMLQUVCOP-BBRMVZONSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@H]1C ZINC000993559915 647700668 /nfs/dbraw/zinc/70/06/68/647700668.db2.gz VYWNKXYUAJTJDJ-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2coc(C3CC3)n2)[C@H]1C ZINC000993946067 647771132 /nfs/dbraw/zinc/77/11/32/647771132.db2.gz FBKXHPQDEIWGTF-TZMCWYRMSA-N 0 3 301.390 2.158 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H]1C ZINC000994138864 647800651 /nfs/dbraw/zinc/80/06/51/647800651.db2.gz SETDCOGMMDYZNY-HOCLYGCPSA-N 0 3 318.465 2.243 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H]1C ZINC000994190058 647803272 /nfs/dbraw/zinc/80/32/72/647803272.db2.gz OUZDQSOQLDVCQP-WMLDXEAASA-N 0 3 316.449 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@H]1C ZINC000994208447 647806381 /nfs/dbraw/zinc/80/63/81/647806381.db2.gz IDGJPVIYJFTJQA-NVXWUHKLSA-N 0 3 316.449 2.378 20 30 DEEDHN CC(=O)N[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000153904160 647848543 /nfs/dbraw/zinc/84/85/43/647848543.db2.gz YEAJKFZUOAWAEP-KRWDZBQOSA-N 0 3 314.433 2.137 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(OC)c2)[C@@H]1C ZINC000994300740 647906694 /nfs/dbraw/zinc/90/66/94/647906694.db2.gz LOWURTOHHUYHOW-WMLDXEAASA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(OC)c2)[C@H]1C ZINC000994300738 647907177 /nfs/dbraw/zinc/90/71/77/647907177.db2.gz LOWURTOHHUYHOW-PBHICJAKSA-N 0 3 300.402 2.301 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)COC2CCCC2)c1 ZINC000916892180 647937975 /nfs/dbraw/zinc/93/79/75/647937975.db2.gz YDDJRJPRZMRSNS-HNNXBMFYSA-N 0 3 316.357 2.302 20 30 DEEDHN N#Cc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000916899955 647938381 /nfs/dbraw/zinc/93/83/81/647938381.db2.gz UIUPNVUHSZEJPV-INIZCTEOSA-N 0 3 319.320 2.285 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(C)c1 ZINC000916919690 647940345 /nfs/dbraw/zinc/94/03/45/647940345.db2.gz ARTOLAUKDIQOHL-GFCCVEGCSA-N 0 3 306.749 2.038 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1cccc(C(C)C)c1 ZINC000916921261 647940815 /nfs/dbraw/zinc/94/08/15/647940815.db2.gz RIDCNMVRMGZRGL-HNNXBMFYSA-N 0 3 300.358 2.200 20 30 DEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1Cl ZINC000916930830 647941540 /nfs/dbraw/zinc/94/15/40/647941540.db2.gz KLQRHTSWARFFPB-LBPRGKRZSA-N 0 3 320.776 2.269 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSC(C)C ZINC000916934885 647942346 /nfs/dbraw/zinc/94/23/46/647942346.db2.gz 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/nfs/dbraw/zinc/03/49/22/648034922.db2.gz PSHUHDAWSMGPFE-MRXNPFEDSA-N 0 3 321.465 2.123 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000917872508 648037394 /nfs/dbraw/zinc/03/73/94/648037394.db2.gz GFCNMBNVWSKSSD-DOTOQJQBSA-N 0 3 314.433 2.452 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(CC)n(C)n2)[C@@H]1C ZINC000994549300 648044472 /nfs/dbraw/zinc/04/44/72/648044472.db2.gz QDQQTOQKNGTURB-ZFWWWQNUSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCCOCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000920435519 648229115 /nfs/dbraw/zinc/22/91/15/648229115.db2.gz OUTFKHMBDSVJHV-UHFFFAOYSA-N 0 3 317.433 2.360 20 30 DEEDHN COc1cc(C(=O)NC[C@@H](C)N2CCCCC2)ccc1C#N ZINC000822953557 648322180 /nfs/dbraw/zinc/32/21/80/648322180.db2.gz LOQBZKLBPFZJGQ-CYBMUJFWSA-N 0 3 301.390 2.171 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2N(C)C)C[C@@H]1C ZINC000948089509 648352160 /nfs/dbraw/zinc/35/21/60/648352160.db2.gz CCXUVHAYWIOADX-HOTGVXAUSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCOC[C@@H]1OC ZINC000824709291 648640650 /nfs/dbraw/zinc/64/06/50/648640650.db2.gz OVVLBACPGZTTTA-GUYCJALGSA-N 0 3 323.820 2.493 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC2CCOCC2)C(C)(C)C1 ZINC000940626871 648908921 /nfs/dbraw/zinc/90/89/21/648908921.db2.gz MGDAWJZNBSUZPF-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(OC)ns2)C(C)(C)C1 ZINC000940752747 648939277 /nfs/dbraw/zinc/93/92/77/648939277.db2.gz FFTODQMNFIXXKL-GFCCVEGCSA-N 0 3 309.435 2.168 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C3CCC3)nn2)C(C)(C)C1 ZINC000940751192 648939387 /nfs/dbraw/zinc/93/93/87/648939387.db2.gz NCTXGCHACBLWJV-OAHLLOKOSA-N 0 3 317.437 2.019 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C(C)(C)C1 ZINC000940801218 648944684 /nfs/dbraw/zinc/94/46/84/648944684.db2.gz PWSORNXQCJGVPR-HUUCEWRRSA-N 0 3 316.449 2.163 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2CCC)C(C)(C)C1 ZINC000940862550 648957506 /nfs/dbraw/zinc/95/75/06/648957506.db2.gz QIGANCMUKGRLTB-MRXNPFEDSA-N 0 3 318.465 2.389 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(CCC)n[nH]2)C(C)(C)C1 ZINC000940935397 648970210 /nfs/dbraw/zinc/97/02/10/648970210.db2.gz AQTUCCPJJZZYMK-MRXNPFEDSA-N 0 3 316.449 2.216 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2occc2CN(C)C)C(C)(C)C1 ZINC000940991933 648983120 /nfs/dbraw/zinc/98/31/20/648983120.db2.gz UCIIWVVGKQVTGF-HNNXBMFYSA-N 0 3 319.449 2.358 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000941063011 648995876 /nfs/dbraw/zinc/99/58/76/648995876.db2.gz AMHJGRQCNAPDRT-MRXNPFEDSA-N 0 3 301.434 2.485 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)C(C)(C)C1 ZINC000941259146 649030622 /nfs/dbraw/zinc/03/06/22/649030622.db2.gz PGZYDHVCCWWSBI-CABCVRRESA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)C1 ZINC000941455840 649046578 /nfs/dbraw/zinc/04/65/78/649046578.db2.gz HMEYSUGGCVZSMY-INIZCTEOSA-N 0 3 321.509 2.463 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@@H](C)C3CCC3)CC2)C1 ZINC000941454169 649047914 /nfs/dbraw/zinc/04/79/14/649047914.db2.gz 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ZINC000942053502 649143560 /nfs/dbraw/zinc/14/35/60/649143560.db2.gz QCRYNTNPZQQIRL-XJKSGUPXSA-N 0 3 312.417 2.269 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](C)C1 ZINC000942117086 649160651 /nfs/dbraw/zinc/16/06/51/649160651.db2.gz LWDICPFXRFXSQR-AAEUAGOBSA-N 0 3 322.840 2.089 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](C)C1 ZINC000942116406 649160993 /nfs/dbraw/zinc/16/09/93/649160993.db2.gz IDIUIGKKDMDYAD-CMPLNLGQSA-N 0 3 310.829 2.252 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cncc(Cl)c2C)[C@@H](C)C1 ZINC000942145482 649167831 /nfs/dbraw/zinc/16/78/31/649167831.db2.gz ZYCIQKUECQPMEE-NHYWBVRUSA-N 0 3 305.809 2.117 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)[C@@H](C)C1 ZINC000942183143 649177212 /nfs/dbraw/zinc/17/72/12/649177212.db2.gz GITCBYKZDYCMAS-YOEHRIQHSA-N 0 3 323.396 2.415 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2n[nH]c(C3CC3)c2Cl)[C@@H](C)C1 ZINC000942270648 649193578 /nfs/dbraw/zinc/19/35/78/649193578.db2.gz FDLDRQVGGFQFHE-JQWIXIFHSA-N 0 3 320.824 2.014 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@@H](C)C1 ZINC000942270681 649193878 /nfs/dbraw/zinc/19/38/78/649193878.db2.gz FKXKRFGGFSWPEI-GUYCJALGSA-N 0 3 302.393 2.462 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cnccc3o2)[C@@H](C)C1 ZINC000942289045 649198360 /nfs/dbraw/zinc/19/83/60/649198360.db2.gz VABYDVRHNJYCQQ-DZGCQCFKSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000942367554 649211500 /nfs/dbraw/zinc/21/15/00/649211500.db2.gz NMVLHBOLTOOKEL-ZBFHGGJFSA-N 0 3 322.412 2.150 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000942395306 649214544 /nfs/dbraw/zinc/21/45/44/649214544.db2.gz XLUNJLWTGDMEMU-WBVHZDCISA-N 0 3 314.429 2.006 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)[C@@H](C)C1 ZINC000942495913 649226239 /nfs/dbraw/zinc/22/62/39/649226239.db2.gz INEPTGHOZUZPCQ-YOEHRIQHSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@H](C)C1 ZINC000942524004 649233965 /nfs/dbraw/zinc/23/39/65/649233965.db2.gz ZSMZDADEYLLTAM-IUODEOHRSA-N 0 3 315.417 2.324 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)ccnc2OCC)[C@@H](C)C1 ZINC000942530203 649236142 /nfs/dbraw/zinc/23/61/42/649236142.db2.gz PMCLMPRZMOHZCL-LSDHHAIUSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)[C@@H](C)C1 ZINC000942540546 649239370 /nfs/dbraw/zinc/23/93/70/649239370.db2.gz MCMPDDGXHOYJOT-GXSJLCMTSA-N 0 3 314.216 2.395 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2OC)[C@H](C)C1 ZINC000942545054 649241685 /nfs/dbraw/zinc/24/16/85/649241685.db2.gz JIVDBZFNLXCPGW-DOMZBBRYSA-N 0 3 306.381 2.461 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)[C@@H](C)C1 ZINC000942546874 649242307 /nfs/dbraw/zinc/24/23/07/649242307.db2.gz BRBDTFHTGSVLQI-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(OC)cs2)[C@H](C)C1 ZINC000942547298 649242362 /nfs/dbraw/zinc/24/23/62/649242362.db2.gz KBBUGYFDEMFJGQ-TZMCWYRMSA-N 0 3 306.431 2.220 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H](C)C1 ZINC000942562639 649247632 /nfs/dbraw/zinc/24/76/32/649247632.db2.gz OWJWTBOGFKDNTF-KGLIPLIRSA-N 0 3 304.459 2.486 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](C)C1 ZINC000942571626 649249570 /nfs/dbraw/zinc/24/95/70/649249570.db2.gz GAGFQOJJSMFQBA-WMLDXEAASA-N 0 3 301.434 2.451 20 30 DEEDHN N#Cc1cnccc1COC(=O)CCN1CCc2ccccc2C1 ZINC000829075189 649268875 /nfs/dbraw/zinc/26/88/75/649268875.db2.gz IRJYVGOOXGECTD-UHFFFAOYSA-N 0 3 321.380 2.445 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncsc2C2CC2)[C@@H](C)C1 ZINC000942822464 649290218 /nfs/dbraw/zinc/29/02/18/649290218.db2.gz KUZSKJHPLIPZAZ-GXTWGEPZSA-N 0 3 317.458 2.484 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2noc3c2CCCC3)[C@@H](C)C1 ZINC000942958864 649306683 /nfs/dbraw/zinc/30/66/83/649306683.db2.gz IDEGJGJOGJFQCQ-ZFWWWQNUSA-N 0 3 315.417 2.017 20 30 DEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000829775245 649354152 /nfs/dbraw/zinc/35/41/52/649354152.db2.gz ZVDPPXCCDZIBNF-CVEARBPZSA-N 0 3 314.429 2.435 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)C1 ZINC000829788844 649356024 /nfs/dbraw/zinc/35/60/24/649356024.db2.gz IAANRTQZBRYIBD-KSZLIROESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](C)C1 ZINC000943255506 649356973 /nfs/dbraw/zinc/35/69/73/649356973.db2.gz OZDGLCRLEIALEZ-GXTWGEPZSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cccnc3c2)[C@H](C)C1 ZINC000943702331 649415710 /nfs/dbraw/zinc/41/57/10/649415710.db2.gz MIMYPFDMEVTZLX-RHSMWYFYSA-N 0 3 307.397 2.308 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2F)[C@H](C)C1 ZINC000943748166 649419855 /nfs/dbraw/zinc/41/98/55/649419855.db2.gz APHBSGAHNGJOGJ-OCCSQVGLSA-N 0 3 306.381 2.461 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C3CC3)oc2C)[C@H](C)C1 ZINC000943796678 649429728 /nfs/dbraw/zinc/42/97/28/649429728.db2.gz DRRTXQJXKIIPRZ-BXUZGUMPSA-N 0 3 303.406 2.487 20 30 DEEDHN C[C@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000830404835 649439836 /nfs/dbraw/zinc/43/98/36/649439836.db2.gz OJMPOCHAXPDCNL-NWDGAFQWSA-N 0 3 315.398 2.193 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](C)C1 ZINC000944016791 649471069 /nfs/dbraw/zinc/47/10/69/649471069.db2.gz OGERCLGDFIQHKQ-GXTWGEPZSA-N 0 3 303.406 2.009 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000944316840 649510399 /nfs/dbraw/zinc/51/03/99/649510399.db2.gz HCGUOJXQKOKSKZ-SWLSCSKDSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2OC)[C@H](C)C1 ZINC000944306887 649512812 /nfs/dbraw/zinc/51/28/12/649512812.db2.gz UBODFAOQEDBHIX-ZBFHGGJFSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@H](C)C1 ZINC000944552916 649533247 /nfs/dbraw/zinc/53/32/47/649533247.db2.gz JOGGUYHDASZVSF-RHSMWYFYSA-N 0 3 311.429 2.423 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2sc(C)nc2C)[C@@H](C)C1 ZINC000944792132 649567066 /nfs/dbraw/zinc/56/70/66/649567066.db2.gz WUKDHJFRBCDSBE-SMDDNHRTSA-N 0 3 305.447 2.223 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2csc(CC)n2)[C@H](C)C1 ZINC000945088112 649609029 /nfs/dbraw/zinc/60/90/29/649609029.db2.gz AWWJUOCGTKLWKN-UKRRQHHQSA-N 0 3 319.474 2.098 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(C)s2)[C@H](C)C1 ZINC000945182804 649625564 /nfs/dbraw/zinc/62/55/64/649625564.db2.gz QHEZSDZBODLZAK-CZUORRHYSA-N 0 3 304.459 2.449 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000945185355 649626646 /nfs/dbraw/zinc/62/66/46/649626646.db2.gz ZTYYQQFAMQUCFM-FUHWJXTLSA-N 0 3 310.441 2.486 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)nsc2C)[C@@H](C)C1 ZINC000945220004 649630805 /nfs/dbraw/zinc/63/08/05/649630805.db2.gz FKPNBZLESGVHNY-SMDDNHRTSA-N 0 3 305.447 2.223 20 30 DEEDHN CCCCOC(=O)CCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365637 651117878 /nfs/dbraw/zinc/11/78/78/651117878.db2.gz CROALPASLHWSSF-INIZCTEOSA-N 0 3 304.390 2.257 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000844410457 651124188 /nfs/dbraw/zinc/12/41/88/651124188.db2.gz WCRWUDMGXHTORT-GZBFAFLISA-N 0 3 318.421 2.376 20 30 DEEDHN C[C@H](COCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000845441424 651243508 /nfs/dbraw/zinc/24/35/08/651243508.db2.gz ZCQJHCBYHSXXKI-GDBMZVCRSA-N 0 3 314.385 2.138 20 30 DEEDHN C=C(C)CONC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000845603299 651259282 /nfs/dbraw/zinc/25/92/82/651259282.db2.gz ZDLOKWUTKWNPSR-GDBMZVCRSA-N 0 3 303.406 2.456 20 30 DEEDHN C=C(C)CONC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000845610757 651260554 /nfs/dbraw/zinc/26/05/54/651260554.db2.gz LNSUBHFNDHBBMF-HNNXBMFYSA-N 0 3 307.394 2.105 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)nc1 ZINC000846172457 651312847 /nfs/dbraw/zinc/31/28/47/651312847.db2.gz MNEHSZPRTBLUDK-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN N#CC(C(=O)CCCc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000847621321 651405863 /nfs/dbraw/zinc/40/58/63/651405863.db2.gz LCGCCAPITHXSOF-HNNXBMFYSA-N 0 3 302.349 2.480 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1c(F)cccc1F ZINC000847624142 651406030 /nfs/dbraw/zinc/40/60/30/651406030.db2.gz KHWDHSKBRKQJLL-GFCCVEGCSA-N 0 3 306.312 2.299 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1C ZINC000848395445 651456088 /nfs/dbraw/zinc/45/60/88/651456088.db2.gz GGDLFMUGVDLHMF-AWEZNQCLSA-N 0 3 302.378 2.303 20 30 DEEDHN c1cnn(-c2ccc(N=NC3CCCN4CCCC[C@H]34)nn2)c1 ZINC000848403003 651456557 /nfs/dbraw/zinc/45/65/57/651456557.db2.gz LNLNPIAHGSCVQE-CQSZACIVSA-N 0 3 311.393 2.079 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000848406432 651456658 /nfs/dbraw/zinc/45/66/58/651456658.db2.gz DQJJBTVKYSBXDK-ZDUSSCGKSA-N 0 3 324.768 2.276 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000854664189 651529982 /nfs/dbraw/zinc/52/99/82/651529982.db2.gz PKOOPFMYGSXJPT-QGZVFWFLSA-N 0 3 324.428 2.003 20 30 DEEDHN N#Cc1ccc(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000855055739 651618306 /nfs/dbraw/zinc/61/83/06/651618306.db2.gz IQICXDMDJVJYRZ-CVEARBPZSA-N 0 3 301.365 2.444 20 30 DEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000855165681 651638394 /nfs/dbraw/zinc/63/83/94/651638394.db2.gz YDWJHQNLNZWGNB-OAHLLOKOSA-N 0 3 315.417 2.120 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](OC)C2CCCCC2)CC1 ZINC000856229107 651877693 /nfs/dbraw/zinc/87/76/93/651877693.db2.gz YXCXRPYPNOEAGN-KRWDZBQOSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1cc(CNCC[S@](=O)CC(F)(F)F)ccc1C#N ZINC000850350771 651907192 /nfs/dbraw/zinc/90/71/92/651907192.db2.gz UISCGRAQMMEXDZ-FQEVSTJZSA-N 0 3 304.337 2.267 20 30 DEEDHN N#CC(C(=O)CC1(C#N)CCOCC1)C(=O)Nc1ccccc1 ZINC000850760722 651982725 /nfs/dbraw/zinc/98/27/25/651982725.db2.gz WHIQGLNQISPXRM-AWEZNQCLSA-N 0 3 311.341 2.044 20 30 DEEDHN CO[C@H](C(=O)C(C#N)c1nnc2n1CCCCC2)C1CCCC1 ZINC000850782540 651988857 /nfs/dbraw/zinc/98/88/57/651988857.db2.gz NLXIVGWWHYKMOB-BBRMVZONSA-N 0 3 316.405 2.386 20 30 DEEDHN CCCCCCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000858112705 652257045 /nfs/dbraw/zinc/25/70/45/652257045.db2.gz ILSWYDADHHTVOL-UHFFFAOYSA-N 0 3 312.502 2.282 20 30 DEEDHN CC1(C)OC[C@@H](CCN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC000852015467 652313845 /nfs/dbraw/zinc/31/38/45/652313845.db2.gz LJUDRURCPWEJOF-OAHLLOKOSA-N 0 3 315.417 2.480 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000852098620 652337733 /nfs/dbraw/zinc/33/77/33/652337733.db2.gz RKFQSZLNATYVCZ-IBGZPJMESA-N 0 3 313.445 2.035 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCCCOc1ccccc1F ZINC000852101293 652338756 /nfs/dbraw/zinc/33/87/56/652338756.db2.gz CKVPHHHEVODTPV-KRWDZBQOSA-N 0 3 306.381 2.102 20 30 DEEDHN C#CCOCCN[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000852206678 652363329 /nfs/dbraw/zinc/36/33/29/652363329.db2.gz PDYSYPKLMNOBHT-AWEZNQCLSA-N 0 3 317.307 2.248 20 30 DEEDHN C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000852277916 652376645 /nfs/dbraw/zinc/37/66/45/652376645.db2.gz SAFYOOGAQJRXBE-KRWDZBQOSA-N 0 3 314.433 2.005 20 30 DEEDHN C#CCCN(CCOC)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000852751944 652449411 /nfs/dbraw/zinc/44/94/11/652449411.db2.gz KBWCNZQDNISEJI-UHFFFAOYSA-N 0 3 316.401 2.190 20 30 DEEDHN C#CCCN(CCOC)C[C@H](O)COc1c(C)cccc1C ZINC000852752577 652450487 /nfs/dbraw/zinc/45/04/87/652450487.db2.gz CVNDRLXCCNHFTC-KRWDZBQOSA-N 0 3 305.418 2.015 20 30 DEEDHN C#CCCN(CCOC)C[C@@H](O)COc1ccccc1Cl ZINC000852752980 652450665 /nfs/dbraw/zinc/45/06/65/652450665.db2.gz SLURPBOUVRVZRV-CQSZACIVSA-N 0 3 311.809 2.051 20 30 DEEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)C(=O)N(C)CCC#N ZINC000852781509 652456119 /nfs/dbraw/zinc/45/61/19/652456119.db2.gz FFKXQVCVFUGKMM-KBPBESRZSA-N 0 3 315.417 2.423 20 30 DEEDHN C=C(Cl)CONC(=N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000853686239 652589965 /nfs/dbraw/zinc/58/99/65/652589965.db2.gz WZIPJQQHAJUIHG-AWEZNQCLSA-N 0 3 309.797 2.138 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000853692133 652590453 /nfs/dbraw/zinc/59/04/53/652590453.db2.gz PUGLLFFDBHQHCK-SJORKVTESA-N 0 3 315.417 2.114 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(CC)n[nH]2)CCCC1 ZINC001391760834 1156785869 /nfs/dbraw/zinc/78/58/69/1156785869.db2.gz DTDFFBSMXSVKGL-UHFFFAOYSA-N 0 3 310.829 2.357 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001373291138 1156938661 /nfs/dbraw/zinc/93/86/61/1156938661.db2.gz QMYGVKIACZBZNA-LSDHHAIUSA-N 0 3 313.873 2.004 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001392503964 1157078367 /nfs/dbraw/zinc/07/83/67/1157078367.db2.gz GBFMIJNRVPVAAM-DOMZBBRYSA-N 0 3 323.462 2.275 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001356325427 1152074231 /nfs/dbraw/zinc/07/42/31/1152074231.db2.gz SMYWCTLZHMXMTM-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN N#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000928227082 693744381 /nfs/dbraw/zinc/74/43/81/693744381.db2.gz XVFOYTWASDUJLZ-DOTOQJQBSA-N 0 3 312.417 2.056 20 30 DEEDHN Cc1ccc(OCCC(=O)C(C#N)C(=O)NC(C)C)c(C)c1 ZINC000130980424 684194667 /nfs/dbraw/zinc/19/46/67/684194667.db2.gz CKKAUKKHPHAOSS-AWEZNQCLSA-N 0 3 302.374 2.306 20 30 DEEDHN C#CCN1CCC(C(=O)NC2CCC(OC(C)C)CC2)CC1 ZINC000159354856 684313621 /nfs/dbraw/zinc/31/36/21/684313621.db2.gz KSADCGWWRIJRNS-UHFFFAOYSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CCCN(C(=O)C(=O)C(C)(C)C)C2 ZINC001054103385 693845810 /nfs/dbraw/zinc/84/58/10/693845810.db2.gz DAZUIXHKLVNFET-GOSISDBHSA-N 0 3 306.450 2.492 20 30 DEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC000928803390 693847044 /nfs/dbraw/zinc/84/70/44/693847044.db2.gz RGHOSMCQHSJOLO-CABZTGNLSA-N 0 3 309.307 2.160 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ncccc1C)C2 ZINC001054114126 693849926 /nfs/dbraw/zinc/84/99/26/693849926.db2.gz VOHPZVYUKSXOGS-IBGZPJMESA-N 0 3 311.429 2.341 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[C@@H]1C(F)F)C2 ZINC001054126489 693855704 /nfs/dbraw/zinc/85/57/04/693855704.db2.gz JALCUSLIEKSOQW-GRDNDAEWSA-N 0 3 310.388 2.225 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC001054130740 693857093 /nfs/dbraw/zinc/85/70/93/693857093.db2.gz XPUAENZSVXWVEB-FQEVSTJZSA-N 0 3 323.440 2.310 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ncccc1CC)C2 ZINC001054155961 693866239 /nfs/dbraw/zinc/86/62/39/693866239.db2.gz FLRGRCWAONMRTF-IBGZPJMESA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1nccc3occc31)C2 ZINC001054169476 693869032 /nfs/dbraw/zinc/86/90/32/693869032.db2.gz XWLDWDQHABEBQR-LJQANCHMSA-N 0 3 323.396 2.389 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(Cl)[nH]1)C2 ZINC001054193088 693876611 /nfs/dbraw/zinc/87/66/11/693876611.db2.gz PNGQARRNCNULAJ-MRXNPFEDSA-N 0 3 305.809 2.229 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1occc1C)C2 ZINC001054194801 693877300 /nfs/dbraw/zinc/87/73/00/693877300.db2.gz WJFYHCMYQNOSNK-IBGZPJMESA-N 0 3 314.429 2.468 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cncc(Cl)c1)C2 ZINC001054214328 693884538 /nfs/dbraw/zinc/88/45/38/693884538.db2.gz WSVCUPVILFGSKD-QGZVFWFLSA-N 0 3 317.820 2.296 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1nccs1)C2 ZINC001054217999 693886195 /nfs/dbraw/zinc/88/61/95/693886195.db2.gz KYBSEILQVFXWGN-INIZCTEOSA-N 0 3 303.431 2.095 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)c1cccnc1)C2 ZINC001054228148 693890828 /nfs/dbraw/zinc/89/08/28/693890828.db2.gz OYLCHAQEKQMSGY-VQIMIIECSA-N 0 3 311.429 2.133 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1F)C2 ZINC001054235739 693894436 /nfs/dbraw/zinc/89/44/36/693894436.db2.gz BQRWJAHWBSSJLE-IBGZPJMESA-N 0 3 314.404 2.316 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1n[nH]c3ccccc31)C2 ZINC001054237192 693894634 /nfs/dbraw/zinc/89/46/34/693894634.db2.gz SGOBKLQAPVMWNL-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccccc1OCC#N ZINC000194144049 685058192 /nfs/dbraw/zinc/05/81/92/685058192.db2.gz JRSYPQSGHKNOOZ-CQSZACIVSA-N 0 3 301.390 2.193 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCNC(=O)C(C)C)c([O-])c1 ZINC000194862537 685079919 /nfs/dbraw/zinc/07/99/19/685079919.db2.gz PZJUTKQAVNBIKK-LDADJPATSA-N 0 3 305.422 2.430 20 30 DEEDHN COc1cccc([C@@H](O)C2CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000860136167 685889769 /nfs/dbraw/zinc/88/97/69/685889769.db2.gz XXCJKFPTKZCQDA-KDOFPFPSSA-N 0 3 318.417 2.369 20 30 DEEDHN COc1cccc([C@@H](O)C2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000860136168 685889975 /nfs/dbraw/zinc/88/99/75/685889975.db2.gz XXCJKFPTKZCQDA-KSSFIOAISA-N 0 3 318.417 2.369 20 30 DEEDHN CC(=O)NC[C@@H]1CCCCN1CCCOc1ccc(C#N)cc1 ZINC000860172657 685895887 /nfs/dbraw/zinc/89/58/87/685895887.db2.gz INRFYSNOAVFZIL-KRWDZBQOSA-N 0 3 315.417 2.318 20 30 DEEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000860467342 685930599 /nfs/dbraw/zinc/93/05/99/685930599.db2.gz JWUNSRHZJGDMMI-LSDHHAIUSA-N 0 3 302.374 2.217 20 30 DEEDHN CSC1(CN2CCN(c3ccc(C#N)nc3)CC2)CCC1 ZINC000862422881 686298536 /nfs/dbraw/zinc/29/85/36/686298536.db2.gz JJNCWEMPYCMLBR-UHFFFAOYSA-N 0 3 302.447 2.361 20 30 DEEDHN CCOC(=O)C1=CC[C@H](NCc2ccc(C#N)c(OC)c2)C1 ZINC000862488059 686309341 /nfs/dbraw/zinc/30/93/41/686309341.db2.gz AWBXXXYBIGAZIH-HNNXBMFYSA-N 0 3 300.358 2.308 20 30 DEEDHN C#CC[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000862565800 686325170 /nfs/dbraw/zinc/32/51/70/686325170.db2.gz WPJGYTZXSXSWMF-FUHWJXTLSA-N 0 3 311.429 2.165 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000862746313 686367178 /nfs/dbraw/zinc/36/71/78/686367178.db2.gz RAOXQVPZLUSTAS-GOSISDBHSA-N 0 3 311.429 2.384 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H](NCc2cnn(C)c2)[C@@H](C)C1 ZINC001054676509 694021762 /nfs/dbraw/zinc/02/17/62/694021762.db2.gz BSJFCOALGFRUQQ-FZMZJTMJSA-N 0 3 324.856 2.135 20 30 DEEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1CC1CCC(C#N)CC1 ZINC000929825208 694036370 /nfs/dbraw/zinc/03/63/70/694036370.db2.gz OMDAHUDTPAJIPQ-QQFBHYJXSA-N 0 3 324.432 2.189 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cn3c(C)csc3n2)CC1 ZINC000865194053 686964148 /nfs/dbraw/zinc/96/41/48/686964148.db2.gz RSQPFEIYWKFSBK-UHFFFAOYSA-N 0 3 318.446 2.013 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001054971201 694084323 /nfs/dbraw/zinc/08/43/23/694084323.db2.gz MTHXTVCWEKYGTD-XJKSGUPXSA-N 0 3 316.449 2.324 20 30 DEEDHN 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C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2cccnc21 ZINC001032592550 689195956 /nfs/dbraw/zinc/19/59/56/689195956.db2.gz PUEPJOCWOYYDTP-YESZJQIVSA-N 0 3 311.429 2.363 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1cccnc1 ZINC001032620125 689203651 /nfs/dbraw/zinc/20/36/51/689203651.db2.gz SOPQZADKPOPGPI-JYJNAYRXSA-N 0 3 315.417 2.100 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032677965 689222502 /nfs/dbraw/zinc/22/25/02/689222502.db2.gz YVPOCIMUQFAKKK-QAETUUGQSA-N 0 3 304.434 2.053 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033086797 689382425 /nfs/dbraw/zinc/38/24/25/689382425.db2.gz LUOLQBDUEIFBKQ-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2csc([C@H](C)OC)n2)C1 ZINC001033085525 689383009 /nfs/dbraw/zinc/38/30/09/689383009.db2.gz RMSKJKIFPPMUSS-QWHCGFSZSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2nsc3ccccc32)C1 ZINC001033102164 689387793 /nfs/dbraw/zinc/38/77/93/689387793.db2.gz WDTDVPLRUCKZMI-CYBMUJFWSA-N 0 3 313.426 2.466 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(C)nc2C2CC2)C1 ZINC001033114466 689393068 /nfs/dbraw/zinc/39/30/68/689393068.db2.gz FGBGCFRAEWOSAG-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001033165489 689409073 /nfs/dbraw/zinc/40/90/73/689409073.db2.gz LZZYILRKQIRDHJ-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000874436539 689413702 /nfs/dbraw/zinc/41/37/02/689413702.db2.gz JZGNAJUAIUMNIM-HUUCEWRRSA-N 0 3 322.449 2.121 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001033185605 689416515 /nfs/dbraw/zinc/41/65/15/689416515.db2.gz HFZHVGWFDYSGLW-OAHLLOKOSA-N 0 3 311.385 2.306 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874822576 689499257 /nfs/dbraw/zinc/49/92/57/689499257.db2.gz CAIUYOAZLQYUKL-JLSDUUJJSA-N 0 3 311.429 2.432 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001033500968 689523194 /nfs/dbraw/zinc/52/31/94/689523194.db2.gz RAXZBEGEMOVYMC-SNVBAGLBSA-N 0 3 316.327 2.151 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033874852 689646273 /nfs/dbraw/zinc/64/62/73/689646273.db2.gz KINMUPURMNLHBC-AWEZNQCLSA-N 0 3 320.458 2.454 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3ccccc3nn2)C1 ZINC001033911421 689659107 /nfs/dbraw/zinc/65/91/07/689659107.db2.gz AJNNILMTYIHBOF-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN([C@@H](C)COC)C2)cc1 ZINC001033921500 689661900 /nfs/dbraw/zinc/66/19/00/689661900.db2.gz BGOBOHJYUQNAKQ-YJBOKZPZSA-N 0 3 314.429 2.239 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnn(CC)c2C)C1 ZINC001033995388 689686856 /nfs/dbraw/zinc/68/68/56/689686856.db2.gz CUELTPODVZSCMY-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001034005662 689690240 /nfs/dbraw/zinc/69/02/40/689690240.db2.gz SJIASUXUZXKVNQ-OAHLLOKOSA-N 0 3 317.433 2.186 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc3nccnc32)C1 ZINC001034007362 689690924 /nfs/dbraw/zinc/69/09/24/689690924.db2.gz YXNRDDJYTMZATJ-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034015864 689694216 /nfs/dbraw/zinc/69/42/16/689694216.db2.gz QGRGAJVVOSLNOF-GDBMZVCRSA-N 0 3 316.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001034025673 689697313 /nfs/dbraw/zinc/69/73/13/689697313.db2.gz JSUQCKYFCHASJM-GOSISDBHSA-N 0 3 313.445 2.312 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001034034845 689701107 /nfs/dbraw/zinc/70/11/07/689701107.db2.gz GTOJDMWZKXNRKD-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CC[C@H](CCOC)NC(=O)N(CCC)CCN1CCCCC1 ZINC000875916847 689716525 /nfs/dbraw/zinc/71/65/25/689716525.db2.gz OITFFYMIJVGJOZ-QGZVFWFLSA-N 0 3 323.481 2.322 20 30 DEEDHN CC(C)=CCN1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034166405 689752131 /nfs/dbraw/zinc/75/21/31/689752131.db2.gz WMANCBNUFSIVJU-OAHLLOKOSA-N 0 3 300.406 2.437 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001034237270 689775870 /nfs/dbraw/zinc/77/58/70/689775870.db2.gz RXGRCRHJIBRFTG-CQSZACIVSA-N 0 3 319.453 2.194 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001034247750 689780008 /nfs/dbraw/zinc/78/00/08/689780008.db2.gz RYCIIKHPPWKLOH-HNNXBMFYSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001034253597 689783317 /nfs/dbraw/zinc/78/33/17/689783317.db2.gz JIXRKJQYQMHORQ-LBPRGKRZSA-N 0 3 322.840 2.233 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001034282521 689792847 /nfs/dbraw/zinc/79/28/47/689792847.db2.gz KUPRMVIKBZJOCT-AWEZNQCLSA-N 0 3 316.449 2.449 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001034284184 689794516 /nfs/dbraw/zinc/79/45/16/689794516.db2.gz YVFATBKZCLFXTP-HZPDHXFCSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001034285328 689794606 /nfs/dbraw/zinc/79/46/06/689794606.db2.gz NCAFQWPSALCQKR-AWEZNQCLSA-N 0 3 302.422 2.141 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001034307058 689803965 /nfs/dbraw/zinc/80/39/65/689803965.db2.gz QZFRXTDRKGYBKZ-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001034333717 689812252 /nfs/dbraw/zinc/81/22/52/689812252.db2.gz UHRAYEHAVRBJIS-QGZVFWFLSA-N 0 3 314.429 2.321 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001034403759 689836706 /nfs/dbraw/zinc/83/67/06/689836706.db2.gz BJTOWKWBRCUGLN-AEFFLSMTSA-N 0 3 313.445 2.343 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001034463446 689858934 /nfs/dbraw/zinc/85/89/34/689858934.db2.gz UKJOIAAIMWUQHW-AWEZNQCLSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001034463449 689859188 /nfs/dbraw/zinc/85/91/88/689859188.db2.gz UKJOIAAIMWUQHW-CQSZACIVSA-N 0 3 303.406 2.120 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000876574522 689862421 /nfs/dbraw/zinc/86/24/21/689862421.db2.gz UWUXFMCETPAABA-CQSZACIVSA-N 0 3 321.808 2.331 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001034487188 689869701 /nfs/dbraw/zinc/86/97/01/689869701.db2.gz MQBRIGLBVIEKFY-CRAIPNDOSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000876601103 689872462 /nfs/dbraw/zinc/87/24/62/689872462.db2.gz REMBSVWQTUVXIH-ZWNOBZJWSA-N 0 3 321.808 2.218 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001034548311 689895733 /nfs/dbraw/zinc/89/57/33/689895733.db2.gz MABXFMKZWXOXLF-OAHLLOKOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000876695336 689906076 /nfs/dbraw/zinc/90/60/76/689906076.db2.gz XBOQHRSVVZJQIF-JQWIXIFHSA-N 0 3 320.780 2.384 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000876696315 689906442 /nfs/dbraw/zinc/90/64/42/689906442.db2.gz SDNGROIJYMSBIN-MNOVXSKESA-N 0 3 301.173 2.360 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000876713198 689912048 /nfs/dbraw/zinc/91/20/48/689912048.db2.gz GWGLSROEOXSFQR-GFCCVEGCSA-N 0 3 307.785 2.421 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728376 689918630 /nfs/dbraw/zinc/91/86/30/689918630.db2.gz KGOPGLSZGLUVSR-OAHLLOKOSA-N 0 3 307.825 2.373 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000876730791 689919091 /nfs/dbraw/zinc/91/90/91/689919091.db2.gz MJXUVGMESCMTME-OCCSQVGLSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000876853113 689954362 /nfs/dbraw/zinc/95/43/62/689954362.db2.gz FCEGXKAYYVURMW-QWHCGFSZSA-N 0 3 323.824 2.457 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000876900271 689968170 /nfs/dbraw/zinc/96/81/70/689968170.db2.gz HAIYHCCTSOMDPV-XQQFMLRXSA-N 0 3 300.830 2.262 20 30 DEEDHN CC(C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC001034865003 689971374 /nfs/dbraw/zinc/97/13/74/689971374.db2.gz OLLNCQHAGUADQD-OAHLLOKOSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2cccc(N)c2)CC1 ZINC000876922684 689973598 /nfs/dbraw/zinc/97/35/98/689973598.db2.gz HJFXFIYLKBWQCP-HNNXBMFYSA-N 0 3 307.825 2.445 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034947732 689997285 /nfs/dbraw/zinc/99/72/85/689997285.db2.gz XQLVVYGNPFOZBD-CQSZACIVSA-N 0 3 324.856 2.279 20 30 DEEDHN CN(C)C(=O)[C@H]1CCC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877044591 690006279 /nfs/dbraw/zinc/00/62/79/690006279.db2.gz CWHQBBOGFLUOQB-JSGCOSHPSA-N 0 3 320.824 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2OC)C1 ZINC000877252477 690057208 /nfs/dbraw/zinc/05/72/08/690057208.db2.gz PVQWEDXFCYULRT-DZGCQCFKSA-N 0 3 324.808 2.065 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000877348080 690084868 /nfs/dbraw/zinc/08/48/68/690084868.db2.gz BLPYBTULMYKIBL-JKSUJKDBSA-N 0 3 319.380 2.217 20 30 DEEDHN Cc1csc([C@H]2CCN(C(=O)[C@H](N)CCCCC#N)C2)n1 ZINC000877350687 690086349 /nfs/dbraw/zinc/08/63/49/690086349.db2.gz GJWUKNCMKSLTJX-QWHCGFSZSA-N 0 3 306.435 2.179 20 30 DEEDHN C=CCN(CCOC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877473658 690124758 /nfs/dbraw/zinc/12/47/58/690124758.db2.gz PDPPDPGSJCIHJX-UHFFFAOYSA-N 0 3 304.434 2.282 20 30 DEEDHN C#C[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)C(C)(C)C ZINC000877535185 690144248 /nfs/dbraw/zinc/14/42/48/690144248.db2.gz XBZVWGUNNVQMAZ-ZDUSSCGKSA-N 0 3 314.838 2.125 20 30 DEEDHN COCC1(CNCc2cc(C#N)cnc2Cl)CCOCC1 ZINC000877544329 690147199 /nfs/dbraw/zinc/14/71/99/690147199.db2.gz VUVKONAXPVSTMD-UHFFFAOYSA-N 0 3 309.797 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cnc(C3CC3)o1)CC2 ZINC001035721950 690160739 /nfs/dbraw/zinc/16/07/39/690160739.db2.gz GYBZOOVTMJAQSM-UHFFFAOYSA-N 0 3 313.401 2.113 20 30 DEEDHN COC(=O)[C@]1(C)CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877592327 690161300 /nfs/dbraw/zinc/16/13/00/690161300.db2.gz NWOSDDDQYHWCGB-GOSISDBHSA-N 0 3 315.417 2.399 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnc3ccccn13)CC2 ZINC001035736411 690164317 /nfs/dbraw/zinc/16/43/17/690164317.db2.gz DGHGCJOUTJWOQN-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]1OC)CC2 ZINC001035737483 690164425 /nfs/dbraw/zinc/16/44/25/690164425.db2.gz INKACCDUGVMDMR-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)COC1CCCCC1)CC2 ZINC001035740843 690165155 /nfs/dbraw/zinc/16/51/55/690165155.db2.gz DCNYFZDNFAUDJD-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc3ncccc3o1)CC2 ZINC001035751003 690167696 /nfs/dbraw/zinc/16/76/96/690167696.db2.gz KDJHPYBVUSVLKF-UHFFFAOYSA-N 0 3 323.396 2.389 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cncc(C)c1)CC2 ZINC001035754359 690168623 /nfs/dbraw/zinc/16/86/23/690168623.db2.gz BJYFITHVYXDEIF-UHFFFAOYSA-N 0 3 313.445 2.433 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)COc1ccccc1)CC2 ZINC001035842222 690190612 /nfs/dbraw/zinc/19/06/12/690190612.db2.gz RCYNWCYSNUYUQE-UHFFFAOYSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCc1ccc(C)o1)CC2 ZINC001035856860 690194936 /nfs/dbraw/zinc/19/49/36/690194936.db2.gz WQQLEKLZYSGACI-UHFFFAOYSA-N 0 3 314.429 2.468 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(F)s1)CC2 ZINC001035859790 690195411 /nfs/dbraw/zinc/19/54/11/690195411.db2.gz ITNLRKXRSAYOKU-UHFFFAOYSA-N 0 3 306.406 2.449 20 30 DEEDHN C=CC[C@@H](C(=O)OC)N1CCCN(Cc2ccccc2)CC1 ZINC000877926665 690262165 /nfs/dbraw/zinc/26/21/65/690262165.db2.gz OXRBFTVKYFARFF-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CC[C@H](C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000877947995 690267703 /nfs/dbraw/zinc/26/77/03/690267703.db2.gz XCADVQJBZCCDPA-HNNXBMFYSA-N 0 3 317.433 2.358 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cnco2)CC[C@H]1NCc1ccccc1C#N ZINC001036133880 690271085 /nfs/dbraw/zinc/27/10/85/690271085.db2.gz KTGHYJSKMVJAFV-CZUORRHYSA-N 0 3 324.384 2.187 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001036139945 690273189 /nfs/dbraw/zinc/27/31/89/690273189.db2.gz BFKMFEQCSKOIRK-CZUORRHYSA-N 0 3 318.465 2.267 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cc(OC)no2)[C@H](C)C1 ZINC001036141729 690273840 /nfs/dbraw/zinc/27/38/40/690273840.db2.gz IGVGIAQEVUCAKN-OCCSQVGLSA-N 0 3 321.421 2.222 20 30 DEEDHN C[C@](O)(C[C@@H](O)CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000878365195 690388483 /nfs/dbraw/zinc/38/84/83/690388483.db2.gz TWTOPVIBLJYENN-SJORKVTESA-N 0 3 300.402 2.049 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]3CN(C(=O)C4CC4)CC[C@@H]32)s1 ZINC001036613803 690401906 /nfs/dbraw/zinc/40/19/06/690401906.db2.gz MMTGDWLNUZQHAJ-BBRMVZONSA-N 0 3 315.442 2.453 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)nc1 ZINC000878641746 690463624 /nfs/dbraw/zinc/46/36/24/690463624.db2.gz UAEHFMRPKBLKJK-VVLHAWIVSA-N 0 3 313.401 2.364 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)nc1 ZINC000878641745 690464204 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N#Cc1cc(CN(CC2CC2)[C@H](C(N)=O)C2CC2)ccc1F ZINC000879487910 690652020 /nfs/dbraw/zinc/65/20/20/690652020.db2.gz INNCRZBCRVLYBO-INIZCTEOSA-N 0 3 301.365 2.173 20 30 DEEDHN C[C@@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)N(C)CCC#N ZINC000879666536 690702291 /nfs/dbraw/zinc/70/22/91/690702291.db2.gz BYZOTNQDXBVIQA-IJLUTSLNSA-N 0 3 303.328 2.234 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccnn1C ZINC000879684016 690705656 /nfs/dbraw/zinc/70/56/56/690705656.db2.gz DTTOFEDZFXMPIY-LBPRGKRZSA-N 0 3 300.362 2.030 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2CCC2CCCC2)c1 ZINC001038147581 690720820 /nfs/dbraw/zinc/72/08/20/690720820.db2.gz XWNUTNJIFJXIEW-HNNXBMFYSA-N 0 3 300.406 2.271 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2CCCC2CCC2)c1 ZINC001038147501 690720999 /nfs/dbraw/zinc/72/09/99/690720999.db2.gz XCRDEMGPCFDXAG-OAHLLOKOSA-N 0 3 300.406 2.271 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2CCC2CCCC2)[nH]1 ZINC001038171975 690730038 /nfs/dbraw/zinc/73/00/38/690730038.db2.gz CQXZTFQPGBUBNH-HNNXBMFYSA-N 0 3 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COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H]2OC)c1 ZINC001343488965 1150745799 /nfs/dbraw/zinc/74/57/99/1150745799.db2.gz IHCMDMHAPCMETJ-KFWWJZLASA-N 0 3 316.357 2.158 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001344022478 1150792696 /nfs/dbraw/zinc/79/26/96/1150792696.db2.gz JNAIPYCIBPCANX-YESZJQIVSA-N 0 3 302.418 2.359 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001344651381 1150833635 /nfs/dbraw/zinc/83/36/35/1150833635.db2.gz IDAMQIQCPWTCHJ-SCZZXKLOSA-N 0 3 314.710 2.349 20 30 DEEDHN C=C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC001347786802 1151097820 /nfs/dbraw/zinc/09/78/20/1151097820.db2.gz QSKVCLOSEJMEHQ-QZTJIDSGSA-N 0 3 314.429 2.326 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001349522098 1151257283 /nfs/dbraw/zinc/25/72/83/1151257283.db2.gz NRJAZNJDAKTZTM-WMZOPIPTSA-N 0 3 317.433 2.151 20 30 DEEDHN CCC(C)(C)N1CCN(c2nnc(CCCCC#N)n2C)CC1 ZINC001350632521 1151377470 /nfs/dbraw/zinc/37/74/70/1151377470.db2.gz 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/nfs/dbraw/zinc/06/59/06/1152065906.db2.gz HOGRGEVXSITLJQ-INIZCTEOSA-N 0 3 321.380 2.032 20 30 DEEDHN Cc1ncsc1CN1CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC1 ZINC001380121838 1152752972 /nfs/dbraw/zinc/75/29/72/1152752972.db2.gz MIMRHKZAXYARNI-VXGBXAGGSA-N 0 3 320.462 2.328 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc3ncccc3c2)C1 ZINC001380353145 1152796108 /nfs/dbraw/zinc/79/61/08/1152796108.db2.gz XOABUEFXEFOWRC-IFXJQAMLSA-N 0 3 322.412 2.475 20 30 DEEDHN Cc1ccc(CC(=O)NC[C@@H](C)NCc2ccc(C#N)s2)o1 ZINC001402868414 1162506345 /nfs/dbraw/zinc/50/63/45/1162506345.db2.gz MIYWJKFGDSSTCZ-LLVKDONJSA-N 0 3 317.414 2.358 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)CC1CC1 ZINC001381343844 1153011605 /nfs/dbraw/zinc/01/16/05/1153011605.db2.gz CEOVSFYKQIDGON-VXGBXAGGSA-N 0 3 303.381 2.480 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@@H](CC#N)c2ccccc2)C[C@@H]1N(C)C ZINC001362772512 1153082490 /nfs/dbraw/zinc/08/24/90/1153082490.db2.gz FNEQHNOPUIDLAV-HRCADAONSA-N 0 3 317.458 2.188 20 30 DEEDHN C[C@@H](CNC(=O)COC(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001381506578 1153101533 /nfs/dbraw/zinc/10/15/33/1153101533.db2.gz SNKKLXQXGXLUSW-AWEZNQCLSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccoc1)NCc1ccc(C#N)s1 ZINC001382051909 1153333650 /nfs/dbraw/zinc/33/36/50/1153333650.db2.gz QELZNRDIQKJBEG-NSHDSACASA-N 0 3 303.387 2.463 20 30 DEEDHN CC(C)OCCN(C)CCN(C(=O)c1ccc(C#N)[nH]1)C(C)C ZINC001382494259 1153453237 /nfs/dbraw/zinc/45/32/37/1153453237.db2.gz ZZWJZIGQFZKBFB-UHFFFAOYSA-N 0 3 320.437 2.094 20 30 DEEDHN C[C@@H](C#N)OCCN1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001363840054 1153660382 /nfs/dbraw/zinc/66/03/82/1153660382.db2.gz MMGRQOJKTPXHJM-GRDNDAEWSA-N 0 3 323.437 2.104 20 30 DEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@@H](CO)C(C)C)cc1C ZINC001363854339 1153671080 /nfs/dbraw/zinc/67/10/80/1153671080.db2.gz PEVONIIJXZOPBN-KRWDZBQOSA-N 0 3 317.433 2.157 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001402984138 1162599794 /nfs/dbraw/zinc/59/97/94/1162599794.db2.gz 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/nfs/dbraw/zinc/66/64/32/1156666432.db2.gz IVTXLZJUIGGGDN-NSHDSACASA-N 0 3 318.402 2.214 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CO[C@@H](C)C2)CCCC1 ZINC001391770953 1156795831 /nfs/dbraw/zinc/79/58/31/1156795831.db2.gz TWNLVTYWYVOUEA-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)CCN(C)C(=O)[C@H](C)C#N)c1 ZINC001392267290 1156947975 /nfs/dbraw/zinc/94/79/75/1156947975.db2.gz YLQQUESJORFILH-MRXNPFEDSA-N 0 3 317.433 2.232 20 30 DEEDHN C=C(Cl)CN(C)CC1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001373315139 1156968018 /nfs/dbraw/zinc/96/80/18/1156968018.db2.gz IQAWATKFVKQNPJ-UHFFFAOYSA-N 0 3 310.829 2.255 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccns1)NCc1ccc(C#N)s1 ZINC001373757687 1157344051 /nfs/dbraw/zinc/34/40/51/1157344051.db2.gz CRLVKABYDLFINX-JTQLQIEISA-N 0 3 320.443 2.374 20 30 DEEDHN CC[C@@H](CNC(=O)C1CC(OC)C1)NCc1ccc(C#N)s1 ZINC001373770022 1157351567 /nfs/dbraw/zinc/35/15/67/1157351567.db2.gz RKSZOGJJDSBRJP-CPCZMJQVSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@H](CCNC(=O)C(C)(F)F)NCc1cc(C#N)ccc1F ZINC001403412948 1162875678 /nfs/dbraw/zinc/87/56/78/1162875678.db2.gz IDWMPSVPXTWWLW-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001403455275 1162888686 /nfs/dbraw/zinc/88/86/86/1162888686.db2.gz PUZXYSIQLCCYRF-JOCQHMNTSA-N 0 3 311.813 2.071 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1ncccn1 ZINC001394028580 1158173570 /nfs/dbraw/zinc/17/35/70/1158173570.db2.gz ALVIHGJPIACOSG-UHFFFAOYSA-N 0 3 324.856 2.236 20 30 DEEDHN C[C@@H](CNC(=O)c1cncs1)N(C)Cc1cccc(C#N)c1 ZINC001394058929 1158223775 /nfs/dbraw/zinc/22/37/75/1158223775.db2.gz WFJDONQMDIGUFL-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001394145221 1158336217 /nfs/dbraw/zinc/33/62/17/1158336217.db2.gz YZZAQGHTFOCEDQ-CQSZACIVSA-N 0 3 310.401 2.066 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccnn2C)CCCCC1 ZINC001394182070 1158352931 /nfs/dbraw/zinc/35/29/31/1158352931.db2.gz HWLTVUFPATUALO-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)C2(C)CC2)cc1C#N ZINC001394478634 1158572225 /nfs/dbraw/zinc/57/22/25/1158572225.db2.gz REMSPCXKOXOYMA-CYBMUJFWSA-N 0 3 315.417 2.303 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)C(F)F)C1 ZINC001375559814 1158813474 /nfs/dbraw/zinc/81/34/74/1158813474.db2.gz MLKLJWCNOUTTRM-SMDDNHRTSA-N 0 3 307.344 2.198 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001375571619 1158817180 /nfs/dbraw/zinc/81/71/80/1158817180.db2.gz SHRKDTDUTMGFCI-LEWSCRJBSA-N 0 3 324.856 2.367 20 30 DEEDHN Cc1cccnc1CNC[C@H](NC(=O)[C@H](C)C#N)C1CCCC1 ZINC001375784280 1158871524 /nfs/dbraw/zinc/87/15/24/1158871524.db2.gz KHVWVXNFLFVTEV-PBHICJAKSA-N 0 3 314.433 2.314 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1CC12CC2)NCc1ccc(F)c(C#N)c1 ZINC001403584075 1163022159 /nfs/dbraw/zinc/02/21/59/1163022159.db2.gz HTVJUTZZNQISCM-DOMZBBRYSA-N 0 3 315.392 2.434 20 30 DEEDHN CS[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001376707719 1159710697 /nfs/dbraw/zinc/71/06/97/1159710697.db2.gz DEYIVXNYNLFRHP-NWDGAFQWSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c2ccccc2nn1C ZINC001377098306 1159898066 /nfs/dbraw/zinc/89/80/66/1159898066.db2.gz NCURCODZYGTPCT-LBPRGKRZSA-N 0 3 320.824 2.424 20 30 DEEDHN C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cn1ccnc1C ZINC001397728647 1160424247 /nfs/dbraw/zinc/42/42/47/1160424247.db2.gz DTTAURAEGLPGPE-DOMZBBRYSA-N 0 3 324.856 2.161 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncc2n1CCCC2 ZINC001377529425 1160508400 /nfs/dbraw/zinc/50/84/00/1160508400.db2.gz XYGHQJVJPFXTFC-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@]2(C)CCCOC2)C1 ZINC001377728076 1160794066 /nfs/dbraw/zinc/79/40/66/1160794066.db2.gz QYTZCDYHAFYGMS-SSDMNJCBSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnsn1 ZINC001398196588 1160812494 /nfs/dbraw/zinc/81/24/94/1160812494.db2.gz SVJSZTQCWVQZJE-JQWIXIFHSA-N 0 3 314.842 2.263 20 30 DEEDHN Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)sc1C ZINC001377938390 1160877002 /nfs/dbraw/zinc/87/70/02/1160877002.db2.gz BEGZIAHOSUDXND-NSHDSACASA-N 0 3 322.478 2.494 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001398891379 1161138978 /nfs/dbraw/zinc/13/89/78/1161138978.db2.gz MRXDWIJTHXFITJ-RISCZKNCSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ncc(OC)cc1F ZINC001399332445 1161351976 /nfs/dbraw/zinc/35/19/76/1161351976.db2.gz AOBMCIPMRKCXPZ-SNVBAGLBSA-N 0 3 315.776 2.080 20 30 DEEDHN CCc1ccccc1CN(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001399447941 1161403190 /nfs/dbraw/zinc/40/31/90/1161403190.db2.gz OHDAWSBLYTXJIR-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1Cc1cccc2cccnc21 ZINC001399817338 1161574565 /nfs/dbraw/zinc/57/45/65/1161574565.db2.gz BASZUEFVHCEVEW-WMLDXEAASA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001401069004 1161866557 /nfs/dbraw/zinc/86/65/57/1161866557.db2.gz DFMSYEQUHSMFJL-CZUORRHYSA-N 0 3 324.856 2.461 20 30 DEEDHN CCC(C)(C)CC(=O)NC[C@H](O)CNCc1ccc(C#N)s1 ZINC001401505890 1162022004 /nfs/dbraw/zinc/02/20/04/1162022004.db2.gz KQMMPNPPBIQRIS-GFCCVEGCSA-N 0 3 323.462 2.013 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccc(F)cn1)C(C)(C)C ZINC001403954450 1163328351 /nfs/dbraw/zinc/32/83/51/1163328351.db2.gz OARQKFZUSCGQFN-BXUZGUMPSA-N 0 3 306.385 2.001 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)Cn2cncc2C)CC1 ZINC001403990656 1163357955 /nfs/dbraw/zinc/35/79/55/1163357955.db2.gz ZDUXZGZOKMQKGG-AWEZNQCLSA-N 0 3 324.856 2.161 20 30 DEEDHN Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)cc1F ZINC001404038107 1163392113 /nfs/dbraw/zinc/39/21/13/1163392113.db2.gz KBKIMMKAIRNEJU-DZGCQCFKSA-N 0 3 303.381 2.232 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)C1=COCCC1 ZINC001405647732 1164173756 /nfs/dbraw/zinc/17/37/56/1164173756.db2.gz ZDNPWUYSRKPAPT-CQSZACIVSA-N 0 3 313.401 2.094 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@@H]1CC12CC2 ZINC001405693259 1164188832 /nfs/dbraw/zinc/18/88/32/1164188832.db2.gz LGWGDHQKXLOMRH-LRDDRELGSA-N 0 3 315.392 2.339 20 30 DEEDHN Cc1c(C(=O)NC[C@H](C)CNCc2ccccc2C#N)ccn1C ZINC001405699179 1164192331 /nfs/dbraw/zinc/19/23/31/1164192331.db2.gz MCWVLMQCQNWWPM-CQSZACIVSA-N 0 3 324.428 2.361 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)CCC1CC1 ZINC001406337478 1164539587 /nfs/dbraw/zinc/53/95/87/1164539587.db2.gz NIPRHXPBNLMZQO-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)COC(C)(C)C ZINC001406345294 1164545024 /nfs/dbraw/zinc/54/50/24/1164545024.db2.gz ICICFGOYVJXDEZ-GFCCVEGCSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CSC(C)C)CCOCC1 ZINC001408043526 1165443844 /nfs/dbraw/zinc/44/38/44/1165443844.db2.gz YCJLOFMSZPSOHT-UHFFFAOYSA-N 0 3 320.886 2.136 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](OCC)C2CC2)C1 ZINC001408350696 1165607062 /nfs/dbraw/zinc/60/70/62/1165607062.db2.gz YJVZPJAZDJUKHL-UXUKBGGZSA-N 0 3 300.830 2.038 20 30 DEEDHN COC(=O)CC1(NC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC001417663392 1167122587 /nfs/dbraw/zinc/12/25/87/1167122587.db2.gz LRWXWMWGUKPGKN-OAHLLOKOSA-N 0 3 314.385 2.361 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@H]2CCOC2)C1 ZINC001417784110 1167211461 /nfs/dbraw/zinc/21/14/61/1167211461.db2.gz HFUBJYFARHPXNM-IHRRRGAJSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1OCC ZINC001417811990 1167229392 /nfs/dbraw/zinc/22/93/92/1167229392.db2.gz CYIXCGRMPVFXGG-HUUCEWRRSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCc2ccncn2)C1 ZINC001418717476 1167909547 /nfs/dbraw/zinc/90/95/47/1167909547.db2.gz HPXWNDPOSLSPAX-DZGCQCFKSA-N 0 3 322.840 2.036 20 30 DEEDHN Cc1cc(F)ccc1CN(CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001418748933 1167938532 /nfs/dbraw/zinc/93/85/32/1167938532.db2.gz AIDURURPEUATAQ-CYBMUJFWSA-N 0 3 303.381 2.374 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCOC2)CCCC1 ZINC001419599181 1168651789 /nfs/dbraw/zinc/65/17/89/1168651789.db2.gz XZQWWSUMMXGOEB-CYBMUJFWSA-N 0 3 300.830 2.184 20 30 DEEDHN CSc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1C#N ZINC001419629104 1168708191 /nfs/dbraw/zinc/70/81/91/1168708191.db2.gz SUIWCPGYTBGUKR-LBPRGKRZSA-N 0 3 303.431 2.238 20 30 DEEDHN CCc1nc(C)c(CNC2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001419671664 1168785387 /nfs/dbraw/zinc/78/53/87/1168785387.db2.gz MKFQJEDOQFAKMV-LMWSTFAQSA-N 0 3 318.421 2.222 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)CCCn1ccnc1C ZINC001419726901 1168822620 /nfs/dbraw/zinc/82/26/20/1168822620.db2.gz JGGHONFMKBRDEI-ZDUSSCGKSA-N 0 3 312.845 2.161 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)nnc1CC)C(C)C ZINC001419891660 1168893949 /nfs/dbraw/zinc/89/39/49/1168893949.db2.gz RCNGLQXMWXPNGN-HNNXBMFYSA-N 0 3 324.856 2.444 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1cccn1C ZINC001420058401 1169118255 /nfs/dbraw/zinc/11/82/55/1169118255.db2.gz SITMXXKOEJXJEJ-NSHDSACASA-N 0 3 314.227 2.032 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420411697 1169499891 /nfs/dbraw/zinc/49/98/91/1169499891.db2.gz JVIHNRAGWJBRBD-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001420764247 1171125326 /nfs/dbraw/zinc/12/53/26/1171125326.db2.gz ITLMLZXLCBDGAG-GOEBONIOSA-N 0 3 321.371 2.430 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccco3)CC2)cc1F ZINC001420907143 1171337071 /nfs/dbraw/zinc/33/70/71/1171337071.db2.gz ZSOROGJOCPDTLI-UHFFFAOYSA-N 0 3 313.332 2.343 20 30 DEEDHN CCc1onc(C)c1CNC[C@](C)(NC(=O)[C@H](C)C#N)C1CC1 ZINC001421543405 1171840787 /nfs/dbraw/zinc/84/07/87/1171840787.db2.gz IRDFXPIATYSEPX-DIFFPNOSSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)C(C)C ZINC001422096619 1172301888 /nfs/dbraw/zinc/30/18/88/1172301888.db2.gz JKANWWGCGKNXQP-GOEBONIOSA-N 0 3 322.836 2.473 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001422137151 1172333331 /nfs/dbraw/zinc/33/33/31/1172333331.db2.gz VYGAAPKVXXXKOP-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cnccn2)CC1 ZINC001422190695 1172383071 /nfs/dbraw/zinc/38/30/71/1172383071.db2.gz CXLLWNMYFYHGOW-UHFFFAOYSA-N 0 3 322.840 2.403 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CC1(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001422507911 1172661740 /nfs/dbraw/zinc/66/17/40/1172661740.db2.gz FDGIDSGZZHUGCD-SMDDNHRTSA-N 0 3 307.344 2.150 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)Cc3ccoc3)CC2)cc1 ZINC001423201542 1173163643 /nfs/dbraw/zinc/16/36/43/1173163643.db2.gz GJJRPAGCLWDSDH-UHFFFAOYSA-N 0 3 309.369 2.132 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001424532405 1173821806 /nfs/dbraw/zinc/82/18/06/1173821806.db2.gz XMRPCTRMWOZXIW-LBPRGKRZSA-N 0 3 302.846 2.118 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2c(C)noc2C)C1 ZINC001424743776 1173894569 /nfs/dbraw/zinc/89/45/69/1173894569.db2.gz PUZXYSIQLCCYRF-UHFFFAOYSA-N 0 3 311.813 2.071 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C#N)c(Cl)n1 ZINC001436157314 1179020920 /nfs/dbraw/zinc/02/09/20/1179020920.db2.gz MAYXBXVPOKVEBE-CYBMUJFWSA-N 0 3 320.824 2.457 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2ccc(OC)cc2)C1 ZINC001436982108 1179329362 /nfs/dbraw/zinc/32/93/62/1179329362.db2.gz UZTXBSVYVLOOJP-BETUJISGSA-N 0 3 324.808 2.063 20 30 DEEDHN C[C@H](CNC(=O)C1CC(C)C1)NCc1ccc(C#N)c(F)c1 ZINC001437131723 1179463335 /nfs/dbraw/zinc/46/33/35/1179463335.db2.gz YTUMIKTUMBZOIJ-MQYJIDSJSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(F)cncc1F ZINC001437376149 1179771806 /nfs/dbraw/zinc/77/18/06/1179771806.db2.gz KGEUFWVXWSOXQY-VIFPVBQESA-N 0 3 303.740 2.210 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001437397002 1179781932 /nfs/dbraw/zinc/78/19/32/1179781932.db2.gz LFCFYYKBXNKORI-TZMCWYRMSA-N 0 3 307.825 2.348 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001437714123 1179898742 /nfs/dbraw/zinc/89/87/42/1179898742.db2.gz DGLULHONOFKGDO-IAGOWNOFSA-N 0 3 317.408 2.490 20 30 DEEDHN CCCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(F)c(F)c1 ZINC001437745476 1179933918 /nfs/dbraw/zinc/93/39/18/1179933918.db2.gz MIIALDQRACSGMV-GFCCVEGCSA-N 0 3 309.360 2.453 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)Cc1ccoc1 ZINC001438483176 1180484181 /nfs/dbraw/zinc/48/41/81/1180484181.db2.gz VAUFAJOTOJRJBL-AWEZNQCLSA-N 0 3 311.385 2.236 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001438586372 1180630088 /nfs/dbraw/zinc/63/00/88/1180630088.db2.gz CMKUWPJYXCPRCW-JTQLQIEISA-N 0 3 304.221 2.484 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)C1CCC1 ZINC001438628344 1180695812 /nfs/dbraw/zinc/69/58/12/1180695812.db2.gz ZDJSREYFMPPLQH-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC1(C)CC1 ZINC001439236998 1180957586 /nfs/dbraw/zinc/95/75/86/1180957586.db2.gz DKDJQZFYIFAFGS-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001439320482 1181018806 /nfs/dbraw/zinc/01/88/06/1181018806.db2.gz QMTMASMOPPTZIA-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccns1 ZINC001439325793 1181022169 /nfs/dbraw/zinc/02/21/69/1181022169.db2.gz AQUBYRWRNHOQCW-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN CC(C)C(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001439450028 1181092138 /nfs/dbraw/zinc/09/21/38/1181092138.db2.gz PSIDPRKBUUEPCK-INIZCTEOSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001440430131 1181509783 /nfs/dbraw/zinc/50/97/83/1181509783.db2.gz FFGNSSUEFWJOQW-UHFFFAOYSA-N 0 3 301.862 2.004 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001440760964 1181677852 /nfs/dbraw/zinc/67/78/52/1181677852.db2.gz YTUWTLNJQIZXPK-UHFFFAOYSA-N 0 3 324.856 2.390 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001442215211 1182371704 /nfs/dbraw/zinc/37/17/04/1182371704.db2.gz BGFNFEFUIATMSK-CQSZACIVSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C1CC(NCc2cnc(Cl)s2)C1 ZINC001442232234 1182381749 /nfs/dbraw/zinc/38/17/49/1182381749.db2.gz NEIQNNOTECVUCD-XNWIYYODSA-N 0 3 312.826 2.035 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)COCC)CCCC[C@@H]1C ZINC001444155304 1183302014 /nfs/dbraw/zinc/30/20/14/1183302014.db2.gz HNICSFSXZXIRFL-SWLSCSKDSA-N 0 3 302.846 2.430 20 30 DEEDHN Cc1cnoc1C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001444682296 1183515777 /nfs/dbraw/zinc/51/57/77/1183515777.db2.gz KDNJRQBEDAFQFI-NSHDSACASA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1c(C)noc1C)C(C)C ZINC001444929549 1183653366 /nfs/dbraw/zinc/65/33/66/1183653366.db2.gz CHICSLHAAHBFTG-CQSZACIVSA-N 0 3 313.829 2.317 20 30 DEEDHN CCC1(C(=O)N[C@H](C)CNCc2ccc(C#N)c(F)c2)CC1 ZINC001445425771 1183868139 /nfs/dbraw/zinc/86/81/39/1183868139.db2.gz BJJAYLRCBNLGMN-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001445619643 1183939655 /nfs/dbraw/zinc/93/96/55/1183939655.db2.gz UCFQFCNWYUVMIB-JGGQBBKZSA-N 0 3 315.417 2.207 20 30 DEEDHN Cc1cc(CN(C)C)cc(NC(=O)CNc2ccc(C#N)cn2)c1 ZINC001446179442 1184262119 /nfs/dbraw/zinc/26/21/19/1184262119.db2.gz CZIMRLAPQPSVCP-UHFFFAOYSA-N 0 3 323.400 2.374 20 30 DEEDHN C[C@]1(CNCc2ccccc2C#N)CCN(C(=O)C(F)F)C1 ZINC001446558857 1184415240 /nfs/dbraw/zinc/41/52/40/1184415240.db2.gz DSDJTLVZPVFSMV-MRXNPFEDSA-N 0 3 307.344 2.152 20 30 DEEDHN Cc1nc(CNC[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001446590001 1184433390 /nfs/dbraw/zinc/43/33/90/1184433390.db2.gz XWRDRIMTEQUJRO-MEDUHNTESA-N 0 3 320.462 2.248 20 30 DEEDHN C=C(Cl)CN1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C)C1 ZINC001446667388 1184485985 /nfs/dbraw/zinc/48/59/85/1184485985.db2.gz SHZHRZIHZBLPNH-GOEBONIOSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CN2CCC(C)CC2)CCC1 ZINC001447241852 1184688915 /nfs/dbraw/zinc/68/89/15/1184688915.db2.gz SNGGVWFWTXGCKL-UHFFFAOYSA-N 0 3 313.873 2.099 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC2(F)F)CCOCC1 ZINC001447477157 1184785214 /nfs/dbraw/zinc/78/52/14/1184785214.db2.gz WKPWVIXWXXDNOR-NSHDSACASA-N 0 3 322.783 2.039 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001447541164 1184805308 /nfs/dbraw/zinc/80/53/08/1184805308.db2.gz OMEKBESDRLRYHT-DOMZBBRYSA-N 0 3 324.856 2.161 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001448508075 1185264667 /nfs/dbraw/zinc/26/46/67/1185264667.db2.gz DINPBWRXEPXBJY-CTYIDZIISA-N 0 3 319.836 2.350 20 30 DEEDHN CCC(=O)N(C)[C@@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001448561339 1185296787 /nfs/dbraw/zinc/29/67/87/1185296787.db2.gz KJLNOSXPAJNQSV-INIZCTEOSA-N 0 3 303.381 2.434 20 30 DEEDHN Cc1ncccc1CN1CC[C@]2(NC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001449004480 1185479059 /nfs/dbraw/zinc/47/90/59/1185479059.db2.gz BLXABHJELCFSLD-MZMPZRCHSA-N 0 3 312.417 2.163 20 30 DEEDHN Cc1cccnc1CNC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001449303575 1185640468 /nfs/dbraw/zinc/64/04/68/1185640468.db2.gz SFQKCRIJFREIQP-HIFRSBDPSA-N 0 3 302.422 2.170 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)Oc2cccnc2)C1 ZINC001449391731 1185694743 /nfs/dbraw/zinc/69/47/43/1185694743.db2.gz CBNVPOIDFZMCKW-HSBZDZAISA-N 0 3 323.824 2.180 20 30 DEEDHN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)Cn1ccnc1C ZINC001405939888 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C=C(Cl)CNCC1(CCNC(=O)[C@H](C)[C@H]2CCCO2)CC1 ZINC001167111508 776688084 /nfs/dbraw/zinc/68/80/84/776688084.db2.gz KNHDYRUGGIFWMV-ZIAGYGMSSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)C1 ZINC001090744444 790475141 /nfs/dbraw/zinc/47/51/41/790475141.db2.gz UXOULEFMZJQRDM-GJZGRUSLSA-N 0 3 308.809 2.081 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1cn(CC)nn1 ZINC001171042817 790477540 /nfs/dbraw/zinc/47/75/40/790477540.db2.gz GTSXSWSBPRIREH-OAHLLOKOSA-N 0 3 321.469 2.419 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)c3ccco3)C2)C1 ZINC001073131064 790477511 /nfs/dbraw/zinc/47/75/11/790477511.db2.gz GLEWSAYDDGSTEJ-HNNXBMFYSA-N 0 3 300.402 2.331 20 30 DEEDHN COc1ccc(CNCCNC(=O)CCC2CCC2)cc1C#N ZINC001125380699 776862689 /nfs/dbraw/zinc/86/26/89/776862689.db2.gz XYWSYVNNWCGLPE-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(C)(NC(=O)CN(CC)CC)CC1 ZINC001073183005 790503845 /nfs/dbraw/zinc/50/38/45/790503845.db2.gz KTMUPRFGMBOPER-UHFFFAOYSA-N 0 3 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C=C(C)CN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](O)C1 ZINC001090847754 790597318 /nfs/dbraw/zinc/59/73/18/790597318.db2.gz BCABKDJZGBVRNS-ZIAGYGMSSA-N 0 3 308.466 2.186 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1coc(C2CC2)n1 ZINC001167737866 778268428 /nfs/dbraw/zinc/26/84/28/778268428.db2.gz GHJFLZPZKZNCMI-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC(C)C)C1 ZINC001112068268 778281496 /nfs/dbraw/zinc/28/14/96/778281496.db2.gz QEROGOXOEULOEY-CHWSQXEVSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCC[C@H](C)NCc1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC001105139587 778367666 /nfs/dbraw/zinc/36/76/66/778367666.db2.gz KNANHUAOYLZLST-AWEZNQCLSA-N 0 3 319.453 2.152 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001125967157 778470414 /nfs/dbraw/zinc/47/04/14/778470414.db2.gz OCZAYCGXEDXFEN-UHFFFAOYSA-N 0 3 301.365 2.097 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1ccccc1 ZINC001211673743 778530359 /nfs/dbraw/zinc/53/03/59/778530359.db2.gz YGOAKFYDKXAENQ-DLBZAZTESA-N 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C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)nc3C3CC3)C[C@@H]2C1 ZINC001088056164 779662752 /nfs/dbraw/zinc/66/27/52/779662752.db2.gz LNJXXDMOOVKIBO-SJORKVTESA-N 0 3 323.440 2.295 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc4ccccc4n3C)C[C@@H]2C1 ZINC001088084528 779688709 /nfs/dbraw/zinc/68/87/09/779688709.db2.gz SNQJCXMLCIHROO-SJORKVTESA-N 0 3 321.424 2.205 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)C[C@@H]2C1 ZINC001088116991 779711488 /nfs/dbraw/zinc/71/14/88/779711488.db2.gz BFQWOLJMLYCSIO-OLZOCXBDSA-N 0 3 314.351 2.133 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccco3)C[C@@H]2C1 ZINC001088137525 779722711 /nfs/dbraw/zinc/72/27/11/779722711.db2.gz RFBVBPVOCMLWDD-BBWFWOEESA-N 0 3 314.429 2.262 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)C[C@@H]2C1 ZINC001088167754 779739419 /nfs/dbraw/zinc/73/94/19/779739419.db2.gz POERNFZMQAEJRH-KGLIPLIRSA-N 0 3 310.388 2.225 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)[C@@H]2C1 ZINC001075847106 779784994 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DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc(OC)c3C)[C@@H]2C1 ZINC001076293392 781198303 /nfs/dbraw/zinc/19/83/03/781198303.db2.gz YDSMKERESDKEAT-DOTOQJQBSA-N 0 3 312.413 2.173 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3coc(C4CC4)n3)[C@@H]2C1 ZINC001076331782 781222628 /nfs/dbraw/zinc/22/26/28/781222628.db2.gz BXSZYGXFNQNFHF-DZGCQCFKSA-N 0 3 301.390 2.274 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)[C@@H]2C1 ZINC001076406438 781249386 /nfs/dbraw/zinc/24/93/86/781249386.db2.gz KDZVKMBPFXFGNQ-MAUKXSAKSA-N 0 3 322.412 2.041 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c4ccccc4nn3C)[C@@H]2C1 ZINC001076427276 781262142 /nfs/dbraw/zinc/26/21/42/781262142.db2.gz OVOORQSYLIOKAC-WMLDXEAASA-N 0 3 324.428 2.296 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4ccccc4n3)[C@@H]2C1 ZINC001076489709 781283969 /nfs/dbraw/zinc/28/39/69/781283969.db2.gz CNXKZWKVWSLELS-QFBILLFUSA-N 0 3 319.408 2.404 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001076691011 781353584 /nfs/dbraw/zinc/35/35/84/781353584.db2.gz FPMQDOAETBUKLW-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001073821282 790899434 /nfs/dbraw/zinc/89/94/34/790899434.db2.gz FIPWSSKQTXRQGK-OAHLLOKOSA-N 0 3 308.447 2.453 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1F)C2 ZINC001098254769 781706938 /nfs/dbraw/zinc/70/69/38/781706938.db2.gz OYBLHZGVGJCEPB-NXHRZFHOSA-N 0 3 314.404 2.421 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001091115180 790918492 /nfs/dbraw/zinc/91/84/92/790918492.db2.gz DDJYYPGKYQCTHN-UHFFFAOYSA-N 0 3 324.856 2.489 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(CC)oc2C)C[C@@H]1C ZINC000947792977 783232605 /nfs/dbraw/zinc/23/26/05/783232605.db2.gz WORMBAIFJQMFOE-GXTWGEPZSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-n3cccc3)nc2)C[C@H]1C ZINC000947814152 783237150 /nfs/dbraw/zinc/23/71/50/783237150.db2.gz JFVDHUDLWBRVLV-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001089605506 783269548 /nfs/dbraw/zinc/26/95/48/783269548.db2.gz OJBSLBCOKRSJPZ-INIZCTEOSA-N 0 3 317.433 2.117 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncnc1C ZINC001089612435 783270743 /nfs/dbraw/zinc/27/07/43/783270743.db2.gz ZYJQWGFZIDUCIJ-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C[C@@H]1C ZINC000947941261 783275725 /nfs/dbraw/zinc/27/57/25/783275725.db2.gz ZWLXWEKFNSJYIC-GOEBONIOSA-N 0 3 301.434 2.429 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OCC)cc2)C[C@@H]1C ZINC000947986578 783285485 /nfs/dbraw/zinc/28/54/85/783285485.db2.gz YSGYWRPTDUBNDQ-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)C[C@@H]1C ZINC000948017668 783293935 /nfs/dbraw/zinc/29/39/35/783293935.db2.gz WLODUCLGONONDS-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001089629079 783296591 /nfs/dbraw/zinc/29/65/91/783296591.db2.gz 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CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089763349 783415495 /nfs/dbraw/zinc/41/54/95/783415495.db2.gz KGJVWHMAIRFTRH-OWLYRPNTSA-N 0 3 324.424 2.198 20 30 DEEDHN CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2[O-])C1 ZINC001089763346 783415742 /nfs/dbraw/zinc/41/57/42/783415742.db2.gz KGJVWHMAIRFTRH-DKIMLUQUSA-N 0 3 324.424 2.198 20 30 DEEDHN CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2[O-])C1 ZINC001089763346 783415750 /nfs/dbraw/zinc/41/57/50/783415750.db2.gz KGJVWHMAIRFTRH-DKIMLUQUSA-N 0 3 324.424 2.198 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccnn2C(C)C)CC1 ZINC000948409373 783456008 /nfs/dbraw/zinc/45/60/08/783456008.db2.gz ZWBWPXRBSSALQW-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)Cc2cnccc2C)CC1 ZINC000948448419 783470896 /nfs/dbraw/zinc/47/08/96/783470896.db2.gz BOYVSGPDCZKFGL-GOSISDBHSA-N 0 3 313.445 2.269 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000948461548 783475119 /nfs/dbraw/zinc/47/51/19/783475119.db2.gz YHTIAMDFVIAQLU-QGZVFWFLSA-N 0 3 324.428 2.464 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2nc(C)sc2C)CC1 ZINC000948547116 783496475 /nfs/dbraw/zinc/49/64/75/783496475.db2.gz QSIBCINEJLINDS-HNNXBMFYSA-N 0 3 319.474 2.249 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000948579068 783510002 /nfs/dbraw/zinc/51/00/02/783510002.db2.gz LXPAOHZHIKWXIZ-AWEZNQCLSA-N 0 3 302.422 2.093 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000948583189 783510016 /nfs/dbraw/zinc/51/00/16/783510016.db2.gz KKJPPYPDRYODDN-AWEZNQCLSA-N 0 3 316.449 2.267 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2occ3c2CCOC3)C1 ZINC001091164383 790959164 /nfs/dbraw/zinc/95/91/64/790959164.db2.gz OAIHHLFZFIEECY-UHFFFAOYSA-N 0 3 324.808 2.203 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085389233 783666758 /nfs/dbraw/zinc/66/67/58/783666758.db2.gz ZPRDGWJXKVGOEP-ZIAGYGMSSA-N 0 3 321.396 2.247 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001333670496 1150076897 /nfs/dbraw/zinc/07/68/97/1150076897.db2.gz IJIZHNASQOYLPH-INIZCTEOSA-N 0 3 317.433 2.487 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC000967269152 783918769 /nfs/dbraw/zinc/91/87/69/783918769.db2.gz SLVJNMYAFRAUMH-MAUKXSAKSA-N 0 3 314.429 2.297 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cncc(COC)c1 ZINC001085647115 783933697 /nfs/dbraw/zinc/93/36/97/783933697.db2.gz BXYSBCSPILFYNR-KRWDZBQOSA-N 0 3 317.433 2.341 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085669466 783943800 /nfs/dbraw/zinc/94/38/00/783943800.db2.gz ZVCUXVKKFJYLBM-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001085707899 783988501 /nfs/dbraw/zinc/98/85/01/783988501.db2.gz WAOBMMLQYCBZLO-NVXWUHKLSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC000967628465 784074683 /nfs/dbraw/zinc/07/46/83/784074683.db2.gz PJDKBAVAYIAORP-KBXCAEBGSA-N 0 3 322.412 2.093 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2CC2CC(C)C2)c1 ZINC001085809422 784101061 /nfs/dbraw/zinc/10/10/61/784101061.db2.gz DFFMIAHIFKEVJO-JFUPDXTOSA-N 0 3 311.429 2.255 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@@H]2CCN2CCC)cc1 ZINC001085857716 784144811 /nfs/dbraw/zinc/14/48/11/784144811.db2.gz GGWLWRLBFALHTG-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nn(C)c2ccccc12 ZINC001085932879 784229971 /nfs/dbraw/zinc/22/99/71/784229971.db2.gz KMHHSZBILMABGK-CQSZACIVSA-N 0 3 312.417 2.296 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccncc2Cl)C1 ZINC000968331559 784295281 /nfs/dbraw/zinc/29/52/81/784295281.db2.gz PKYFLAMWWYXOTD-BBRMVZONSA-N 0 3 319.836 2.127 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC000968357637 784319485 /nfs/dbraw/zinc/31/94/85/784319485.db2.gz QHFGPRVSUKZTLR-RDTXWAMCSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC000968418828 784374588 /nfs/dbraw/zinc/37/45/88/784374588.db2.gz OXCYUTVPLUGDRM-WMLDXEAASA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000968474957 784407457 /nfs/dbraw/zinc/40/74/57/784407457.db2.gz DIYQIJKUFXWRJF-UGSOOPFHSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001091202677 791023158 /nfs/dbraw/zinc/02/31/58/791023158.db2.gz GCXWFJDJXDNTFI-ZALBZXLWSA-N 0 3 319.836 2.348 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(CC)CC[C@H]1C ZINC000968520906 784443799 /nfs/dbraw/zinc/44/37/99/784443799.db2.gz OKEDZVUIZMGNJK-ZIAGYGMSSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3nonc3c2)C1 ZINC001091212378 791027296 /nfs/dbraw/zinc/02/72/96/791027296.db2.gz XNJNAMYTXPCSDU-UHFFFAOYSA-N 0 3 320.780 2.073 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC000968582692 784477783 /nfs/dbraw/zinc/47/77/83/784477783.db2.gz BOUNMEIBCFCGRF-QAPCUYQASA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC000968588030 784481569 /nfs/dbraw/zinc/48/15/69/784481569.db2.gz JQRZPRVGFFFWLS-CRAIPNDOSA-N 0 3 313.445 2.216 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccn(C)c2CC)C1 ZINC001086197437 784482292 /nfs/dbraw/zinc/48/22/92/784482292.db2.gz IQEYIECWYVQYQU-BETUJISGSA-N 0 3 309.841 2.438 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000968601375 784493069 /nfs/dbraw/zinc/49/30/69/784493069.db2.gz CKMIBWZKYOSZSB-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624423 784509375 /nfs/dbraw/zinc/50/93/75/784509375.db2.gz SSDKKXKDEPHQIH-MLGOLLRUSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001086235896 784510169 /nfs/dbraw/zinc/51/01/69/784510169.db2.gz RNFIWIBCYGXFTG-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)CCC)[C@@H](C)C1 ZINC001074092222 791048939 /nfs/dbraw/zinc/04/89/39/791048939.db2.gz AKTMDUHNYUBDTI-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC000969059126 784708123 /nfs/dbraw/zinc/70/81/23/784708123.db2.gz GNDMNOJKVVHTMC-HNNXBMFYSA-N 0 3 304.438 2.454 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000745814465 784758840 /nfs/dbraw/zinc/75/88/40/784758840.db2.gz ZQBOIOLOHQAMQA-QGZVFWFLSA-N 0 3 311.429 2.175 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C)nc2OC)C1 ZINC001086498203 784795765 /nfs/dbraw/zinc/79/57/65/784795765.db2.gz ZGIWWSCIBGPIJO-JOCQHMNTSA-N 0 3 323.824 2.249 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](O)C1 ZINC001100121452 784860053 /nfs/dbraw/zinc/86/00/53/784860053.db2.gz AERMIEOTKBHFLY-CABCVRRESA-N 0 3 308.466 2.024 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001007513371 784941140 /nfs/dbraw/zinc/94/11/40/784941140.db2.gz YVGFBCIIPROPJM-CQSZACIVSA-N 0 3 319.449 2.499 20 30 DEEDHN CN(C)/C=N/c1ccc(NC2COC(C)(C)OC2)cc1C#N ZINC001168906987 784962724 /nfs/dbraw/zinc/96/27/24/784962724.db2.gz MWPXHPLSFJBYFD-WOJGMQOQSA-N 0 3 302.378 2.343 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108412154 784966321 /nfs/dbraw/zinc/96/63/21/784966321.db2.gz BFEPUNWQVGHAKV-YJBOKZPZSA-N 0 3 319.449 2.119 20 30 DEEDHN CCn1cc(-n2ccc([C@H](C)N)n2)c2sc(C#N)cc2c1=O ZINC001169236469 785106236 /nfs/dbraw/zinc/10/62/36/785106236.db2.gz FGAMJYHQNBQFIO-VIFPVBQESA-N 0 3 313.386 2.160 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001169500459 785217013 /nfs/dbraw/zinc/21/70/13/785217013.db2.gz PWXOYVXCVPRMTR-GJZGRUSLSA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001074165819 791092716 /nfs/dbraw/zinc/09/27/16/791092716.db2.gz WXXPOEWPCICBBA-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001008887381 785323895 /nfs/dbraw/zinc/32/38/95/785323895.db2.gz LDLVNHJDHPFLHV-CQSZACIVSA-N 0 3 318.465 2.488 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccnc2OCC)C1 ZINC001091349884 791109715 /nfs/dbraw/zinc/10/97/15/791109715.db2.gz USYGZFXTRUCPFR-UHFFFAOYSA-N 0 3 323.824 2.331 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)cn1 ZINC001009276696 785422306 /nfs/dbraw/zinc/42/23/06/785422306.db2.gz PGJIQHKCOWVIKV-CJNGLKHVSA-N 0 3 303.381 2.005 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(OC)cccc2OC)C1 ZINC001009327701 785430034 /nfs/dbraw/zinc/43/00/34/785430034.db2.gz MUMQQXQIGLXFKJ-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001009576900 785486049 /nfs/dbraw/zinc/48/60/49/785486049.db2.gz IQPHACDDCAXBRD-KRWDZBQOSA-N 0 3 309.413 2.245 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009607724 785492096 /nfs/dbraw/zinc/49/20/96/785492096.db2.gz CSDZYFJMLWEJRD-MRXNPFEDSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccc(OCC)c2)C1 ZINC001009647732 785499681 /nfs/dbraw/zinc/49/96/81/785499681.db2.gz CILVJCRMKNPYHW-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C#N)C1 ZINC001111667279 785619126 /nfs/dbraw/zinc/61/91/26/785619126.db2.gz ZAPULEWIOMKZNO-SKDZVZGDSA-N 0 3 312.417 2.020 20 30 DEEDHN C=C(C)CN1CC[C@@H](Oc2ccnc(CNC(=O)C3CC3)c2)C1 ZINC001091397989 791134251 /nfs/dbraw/zinc/13/42/51/791134251.db2.gz BJPMRNZSDQMGKO-QGZVFWFLSA-N 0 3 315.417 2.137 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001109952174 786108995 /nfs/dbraw/zinc/10/89/95/786108995.db2.gz VIAXXCXKNOCDBC-IKGGRYGDSA-N 0 3 318.461 2.347 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccc(F)cc31)C2 ZINC001095925593 786398774 /nfs/dbraw/zinc/39/87/74/786398774.db2.gz HZCNSGKQMOAZMV-BGTYHANMSA-N 0 3 312.388 2.210 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001113139290 786415089 /nfs/dbraw/zinc/41/50/89/786415089.db2.gz KGXBXPNNAGUNQM-HZPDHXFCSA-N 0 3 318.465 2.413 20 30 DEEDHN CC#CCCCC(=O)N1CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC001113232050 786462246 /nfs/dbraw/zinc/46/22/46/786462246.db2.gz BXVGMBFGSSEFJG-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001113357974 786543219 /nfs/dbraw/zinc/54/32/19/786543219.db2.gz WSVAIUGXFPDHPY-ARFHVFGLSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113359473 786543544 /nfs/dbraw/zinc/54/35/44/786543544.db2.gz BIPZSLZKGPYQSN-BBWFWOEESA-N 0 3 308.466 2.404 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncoc2-c2ccccc2)C1 ZINC001014629898 786667750 /nfs/dbraw/zinc/66/77/50/786667750.db2.gz LLPLXPPEGHOPBG-HNNXBMFYSA-N 0 3 309.369 2.169 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnn2C(CC)CC)C1 ZINC001014714796 786718659 /nfs/dbraw/zinc/71/86/59/786718659.db2.gz UVPWJXSLGFVDLI-AWEZNQCLSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001014748974 786735374 /nfs/dbraw/zinc/73/53/74/786735374.db2.gz GZAQHOJYTHSMPV-CQSZACIVSA-N 0 3 313.376 2.145 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001014814996 786762299 /nfs/dbraw/zinc/76/22/99/786762299.db2.gz LWXCVZOIMDTVRG-HNNXBMFYSA-N 0 3 318.417 2.013 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)CCN2C ZINC001170312135 786904661 /nfs/dbraw/zinc/90/46/61/786904661.db2.gz PLDWXKFBQFLSDF-UHFFFAOYSA-N 0 3 307.825 2.141 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001015150558 786917169 /nfs/dbraw/zinc/91/71/69/786917169.db2.gz VQIMHQZXGZUXAM-INIZCTEOSA-N 0 3 302.418 2.313 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001015387600 787027697 /nfs/dbraw/zinc/02/76/97/787027697.db2.gz NJPAYJMVHAKBGW-CQSZACIVSA-N 0 3 314.389 2.060 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccco2)C1 ZINC001086616166 787122397 /nfs/dbraw/zinc/12/23/97/787122397.db2.gz PXTZWEBOMVUYMZ-RBUKOAKNSA-N 0 3 322.408 2.430 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001015652008 787159827 /nfs/dbraw/zinc/15/98/27/787159827.db2.gz TYTGPWDDLWKFKC-INIZCTEOSA-N 0 3 307.397 2.305 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC001015678632 787182268 /nfs/dbraw/zinc/18/22/68/787182268.db2.gz LHYLKKTWLZODSE-LJQANCHMSA-N 0 3 319.408 2.110 20 30 DEEDHN Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)cs1 ZINC001114256221 787187535 /nfs/dbraw/zinc/18/75/35/787187535.db2.gz WRJURKSBZMJDMG-QLPKVWCKSA-N 0 3 300.427 2.016 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001015721443 787198359 /nfs/dbraw/zinc/19/83/59/787198359.db2.gz JJZOAWJUTAGIFO-KSZLIROESA-N 0 3 314.429 2.011 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(C3CC3)CC2)cc1F ZINC001130020064 787274411 /nfs/dbraw/zinc/27/44/11/787274411.db2.gz NYNLBOUZYOVVBV-UHFFFAOYSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001095932800 787297768 /nfs/dbraw/zinc/29/77/68/787297768.db2.gz KTKSEHBITVVYLL-QZWWFDLISA-N 0 3 311.429 2.409 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CSCCC)C1 ZINC001130351175 787355955 /nfs/dbraw/zinc/35/59/55/787355955.db2.gz GJCSAHRVNQMOFB-ZDUSSCGKSA-N 0 3 322.478 2.144 20 30 DEEDHN C#CCCCCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC=C)C1 ZINC001130374821 787364318 /nfs/dbraw/zinc/36/43/18/787364318.db2.gz YQKDCTHTEXLQKL-HNNXBMFYSA-N 0 3 314.433 2.195 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130528354 787420234 /nfs/dbraw/zinc/42/02/34/787420234.db2.gz VCZGDZGLFAAAPZ-YQQAZPJKSA-N 0 3 318.465 2.172 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2(F)CCCC2)ccc1F ZINC001130622597 787444537 /nfs/dbraw/zinc/44/45/37/787444537.db2.gz QJOZHNWSSQFJPR-UHFFFAOYSA-N 0 3 307.344 2.185 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC001086650449 787498383 /nfs/dbraw/zinc/49/83/83/787498383.db2.gz XWZUMMXNRGHGBK-XJKSGUPXSA-N 0 3 324.384 2.235 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001096102597 787504926 /nfs/dbraw/zinc/50/49/26/787504926.db2.gz AFTLIMZVARTNDE-QZWWFDLISA-N 0 3 305.466 2.157 20 30 DEEDHN Cc1ccc(CC(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001130974496 787516943 /nfs/dbraw/zinc/51/69/43/787516943.db2.gz GMSOCESKQQTPPW-UHFFFAOYSA-N 0 3 307.397 2.315 20 30 DEEDHN C[C@@H](Nc1nc(-c2ccccc2)ccc1C#N)[C@H]1CNCCO1 ZINC001170557899 787607780 /nfs/dbraw/zinc/60/77/80/787607780.db2.gz IOZTWGVHSZKUBW-CXAGYDPISA-N 0 3 308.385 2.409 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc3ncccc3o2)c1 ZINC001131441554 787620675 /nfs/dbraw/zinc/62/06/75/787620675.db2.gz ZGOIBZDSZHIFQT-UHFFFAOYSA-N 0 3 320.352 2.219 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1F)C2 ZINC001096395252 787648649 /nfs/dbraw/zinc/64/86/49/787648649.db2.gz OYBLHZGVGJCEPB-NJAFHUGGSA-N 0 3 314.404 2.421 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(=C)C)C2)C1 ZINC001131650477 787672304 /nfs/dbraw/zinc/67/23/04/787672304.db2.gz VCJNVOWPZYGNRK-IEBWSBKVSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@H](C)N(CCn2nc(C)cc2C)C1 ZINC001131894831 787785617 /nfs/dbraw/zinc/78/56/17/787785617.db2.gz BUKLISSDMOXAHZ-DOTOQJQBSA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CC(F)(F)F)CC[C@H]1C ZINC001131891064 787786278 /nfs/dbraw/zinc/78/62/78/787786278.db2.gz DJWKELVOLQEANN-VXGBXAGGSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2CC(F)(F)C2)CC[C@@H]1C ZINC001131959928 787853759 /nfs/dbraw/zinc/85/37/59/787853759.db2.gz JDOVZLYHDDOXNJ-GXTWGEPZSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCc2cnn(C)c2)C1 ZINC001132072833 787917044 /nfs/dbraw/zinc/91/70/44/787917044.db2.gz PRCMZGOLIQYMPW-DOTOQJQBSA-N 0 3 318.465 2.288 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132077991 787918071 /nfs/dbraw/zinc/91/80/71/787918071.db2.gz KJDGPFDEMRAXDR-YPMHNXCESA-N 0 3 302.846 2.381 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CC(=C)C)C2)CCOCC1 ZINC001132094946 787925790 /nfs/dbraw/zinc/92/57/90/787925790.db2.gz RDSRWPFNIJYQKU-SJORKVTESA-N 0 3 318.461 2.352 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cc(C)on2)CC[C@@H]1C ZINC001132296392 788016908 /nfs/dbraw/zinc/01/69/08/788016908.db2.gz QBMPQQFODFHBDA-XJKSGUPXSA-N 0 3 305.422 2.461 20 30 DEEDHN CC[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1)N(C)C ZINC001097201565 788017646 /nfs/dbraw/zinc/01/76/46/788017646.db2.gz JYZVQSIAALKPBV-OZVIIMIRSA-N 0 3 318.396 2.097 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1COCC3)C2 ZINC001097201656 788018359 /nfs/dbraw/zinc/01/83/59/788018359.db2.gz HDBURLAUWWPLQB-LZQZEXGQSA-N 0 3 324.424 2.118 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2nc(C3CC3)no2)CC[C@@H]1C ZINC001132340665 788037196 /nfs/dbraw/zinc/03/71/96/788037196.db2.gz WYKWSPAZWMGJHS-JSGCOSHPSA-N 0 3 318.421 2.035 20 30 DEEDHN C#CCCCCCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132398920 788057208 /nfs/dbraw/zinc/05/72/08/788057208.db2.gz UWMBAOVBRXRPHO-UHFFFAOYSA-N 0 3 315.392 2.487 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCn3nccc31)C2 ZINC001097366076 788073699 /nfs/dbraw/zinc/07/36/99/788073699.db2.gz ZKWOFSSVSDEGPL-DLTWYDFYSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccccc2)CC[C@H]1C ZINC001132452056 788084760 /nfs/dbraw/zinc/08/47/60/788084760.db2.gz 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ZINC001132872160 788214822 /nfs/dbraw/zinc/21/48/22/788214822.db2.gz CIQWZGDBJUPQKJ-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001097880828 788260712 /nfs/dbraw/zinc/26/07/12/788260712.db2.gz SKLHWWFHOTYLIO-MTSZKFMLSA-N 0 3 304.434 2.265 20 30 DEEDHN C=CCCCC(=O)NCCNCc1cnn(-c2ccccc2)c1 ZINC001133158133 788298480 /nfs/dbraw/zinc/29/84/80/788298480.db2.gz YOTHAOKEPNTVJH-UHFFFAOYSA-N 0 3 312.417 2.434 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N[C@@H](C)CCCCC ZINC001133145096 788299677 /nfs/dbraw/zinc/29/96/77/788299677.db2.gz PCCNLRQBOOUAGK-HNNXBMFYSA-N 0 3 311.470 2.134 20 30 DEEDHN CCn1ccc(CNCCCC[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001170674634 788331572 /nfs/dbraw/zinc/33/15/72/788331572.db2.gz QTUYPYCKPMEGFB-HNNXBMFYSA-N 0 3 316.449 2.081 20 30 DEEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)OC ZINC001133385538 788396648 /nfs/dbraw/zinc/39/66/48/788396648.db2.gz OSMGPCLZSDPFLQ-AWEZNQCLSA-N 0 3 322.836 2.316 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)COC ZINC001133388081 788398571 /nfs/dbraw/zinc/39/85/71/788398571.db2.gz ASLMEOYWYKNKOI-CQSZACIVSA-N 0 3 322.836 2.174 20 30 DEEDHN C[C@H](C[C@H](C)NCc1cc(F)ccc1C#N)NC(=O)C(F)F ZINC001133443942 788424675 /nfs/dbraw/zinc/42/46/75/788424675.db2.gz QMRFAZSJFCXULZ-VHSXEESVSA-N 0 3 313.323 2.335 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001133908948 788668113 /nfs/dbraw/zinc/66/81/13/788668113.db2.gz FCTVJLPEXYXKQH-RYUDHWBXSA-N 0 3 311.451 2.027 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001133909858 788668270 /nfs/dbraw/zinc/66/82/70/788668270.db2.gz RVZJUNNBVNHSAT-CHWSQXEVSA-N 0 3 323.437 2.121 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1conc1CC ZINC001134200068 788808701 /nfs/dbraw/zinc/80/87/01/788808701.db2.gz AJYRHALEISPLEC-KGLIPLIRSA-N 0 3 305.422 2.413 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccncc2Cl)s1 ZINC001134286098 788849547 /nfs/dbraw/zinc/84/95/47/788849547.db2.gz GJCRKHHSEJERJL-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001134318996 788864931 /nfs/dbraw/zinc/86/49/31/788864931.db2.gz WRZQIDYRFMIXLT-HZPDHXFCSA-N 0 3 318.465 2.496 20 30 DEEDHN C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134407176 788906719 /nfs/dbraw/zinc/90/67/19/788906719.db2.gz AABYYLDZSLGIGB-STQMWFEESA-N 0 3 315.421 2.411 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CC[C@@H]2CCCCO2)c1 ZINC001134559694 788976637 /nfs/dbraw/zinc/97/66/37/788976637.db2.gz VCWVYSMWVWBQTC-KRWDZBQOSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCc2c(C)noc2CC)C1 ZINC001100284220 789056794 /nfs/dbraw/zinc/05/67/94/789056794.db2.gz DUPWOGFLXHSQQE-UHFFFAOYSA-N 0 3 317.433 2.333 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001135180180 789233991 /nfs/dbraw/zinc/23/39/91/789233991.db2.gz FCBXWZMVBADZFQ-KGLIPLIRSA-N 0 3 306.454 2.395 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccc(OC)nn1 ZINC001135357758 789298486 /nfs/dbraw/zinc/29/84/86/789298486.db2.gz IANRJKIBJYMXRP-KBPBESRZSA-N 0 3 320.437 2.214 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070863231 789471841 /nfs/dbraw/zinc/47/18/41/789471841.db2.gz QHWBWWMFOKOKRN-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001070918922 789481522 /nfs/dbraw/zinc/48/15/22/789481522.db2.gz TUSBAUKSNYNNCN-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001071066486 789510211 /nfs/dbraw/zinc/51/02/11/789510211.db2.gz UHXSCPHOVAIGOK-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(CC)CC)C[C@H](C)O2 ZINC001071136970 789551923 /nfs/dbraw/zinc/55/19/23/789551923.db2.gz SIQRCBHJWBHNRU-MAUKXSAKSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C(/C)C1CC1)C[C@@H](C)O2 ZINC001071144240 789555087 /nfs/dbraw/zinc/55/50/87/789555087.db2.gz JJAQTUFTVREDSW-WRHXIEKYSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001071142588 789555996 /nfs/dbraw/zinc/55/59/96/789555996.db2.gz ZIMOTXKWNICMCO-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccsn1)C[C@@H](C)O2 ZINC001071177707 789576912 /nfs/dbraw/zinc/57/69/12/789576912.db2.gz FHUYCUIINCMUCB-CJNGLKHVSA-N 0 3 321.446 2.025 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(c3ccccn3)CC2)CC[C@H]1C ZINC001071510243 789749006 /nfs/dbraw/zinc/74/90/06/789749006.db2.gz ANIMUIOXQHCULC-CVEARBPZSA-N 0 3 311.429 2.106 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)CC[C@H]1C ZINC001071512455 789751954 /nfs/dbraw/zinc/75/19/54/789751954.db2.gz YCVVPAZUQAFLGX-ZBFHGGJFSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(Cl)cnn2C)CC[C@H]1C ZINC001071515726 789753001 /nfs/dbraw/zinc/75/30/01/789753001.db2.gz WNDGOEPYTZEYAE-VXGBXAGGSA-N 0 3 310.829 2.232 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3c([nH]2)CCOC3)CC[C@@H]1C ZINC001071555191 789776886 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C=C(C)CN1C[C@@H](NC(=O)c2cnn(CCF)c2)CC[C@@H]1C ZINC001071627294 789824702 /nfs/dbraw/zinc/82/47/02/789824702.db2.gz BYVIADSTIKUQRA-ZFWWWQNUSA-N 0 3 308.401 2.011 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2sc(C)nc2C)CC[C@@H]1C ZINC001071698886 789872954 /nfs/dbraw/zinc/87/29/54/789872954.db2.gz YBIIPWDTBXPXQI-SMDDNHRTSA-N 0 3 307.463 2.458 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)on2)CC[C@@H]1C ZINC001071705033 789877046 /nfs/dbraw/zinc/87/70/46/789877046.db2.gz JULMVKJZQAJOSX-UONOGXRCSA-N 0 3 303.406 2.404 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)nn(C)c2C)CC[C@@H]1C ZINC001071718322 789884570 /nfs/dbraw/zinc/88/45/70/789884570.db2.gz MJINTEODJPIVNP-WFASDCNBSA-N 0 3 304.438 2.196 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(OC)cn2)CC[C@H]1C ZINC001071759093 789907262 /nfs/dbraw/zinc/90/72/62/789907262.db2.gz FCFMXYLXDBPOGW-GDBMZVCRSA-N 0 3 317.433 2.178 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ncccc2F)CC[C@H]1C ZINC001071766074 789909978 /nfs/dbraw/zinc/90/99/78/789909978.db2.gz 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C#CCN1CCC2(C[C@@H](C)N(C(=O)c3scnc3C)C2)CC1 ZINC001086906758 791845039 /nfs/dbraw/zinc/84/50/39/791845039.db2.gz FVJAMIIDSWNOAJ-CYBMUJFWSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(C(F)(F)F)CCC3)C[C@]2(C)C1 ZINC001091789589 791883955 /nfs/dbraw/zinc/88/39/55/791883955.db2.gz IYCQVJZJYVMGFP-OCCSQVGLSA-N 0 3 314.351 2.133 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccnc4ccccc43)C[C@]2(C)C1 ZINC001091830760 791887450 /nfs/dbraw/zinc/88/74/50/791887450.db2.gz QXYRNGQNINBRFO-QRWLVFNGSA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)C[C@]2(C)C1 ZINC001091825044 791891773 /nfs/dbraw/zinc/89/17/73/791891773.db2.gz HJDVLYKJGKRUFG-XLIONFOSSA-N 0 3 323.440 2.376 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)C[C@]2(C)C1 ZINC001092036841 791918758 /nfs/dbraw/zinc/91/87/58/791918758.db2.gz GFGFZKMSMQGYCZ-BEFAXECRSA-N 0 3 307.397 2.195 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@]2(C)C1 ZINC001092242731 791953253 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C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ccon1 ZINC001099140176 792112939 /nfs/dbraw/zinc/11/29/39/792112939.db2.gz RDWVVQCMNJWEMQ-OAHLLOKOSA-N 0 3 305.422 2.400 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(F)c(C)cc2F)[C@H](C)C1 ZINC001092703397 792114064 /nfs/dbraw/zinc/11/40/64/792114064.db2.gz XEWJISMAMIEETR-CHWSQXEVSA-N 0 3 306.356 2.204 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC001092798764 792129593 /nfs/dbraw/zinc/12/95/93/792129593.db2.gz LDKOCJRYNTXUME-VXGBXAGGSA-N 0 3 308.784 2.410 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C(F)(F)F ZINC001099233197 792145302 /nfs/dbraw/zinc/14/53/02/792145302.db2.gz YJGIEOBEUHOXIY-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001099252645 792153150 /nfs/dbraw/zinc/15/31/50/792153150.db2.gz YPZSYKVLCXAYQQ-CQSZACIVSA-N 0 3 324.856 2.329 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001099288947 792161495 /nfs/dbraw/zinc/16/14/95/792161495.db2.gz 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792409204 /nfs/dbraw/zinc/40/92/04/792409204.db2.gz QCXFMVDXZNWKBP-ROUUACIJSA-N 0 3 316.445 2.055 20 30 DEEDHN CCCCCCC[NH2+]C1CC(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001100431583 792646339 /nfs/dbraw/zinc/64/63/39/792646339.db2.gz GHHMUHBXDYUHBR-UHFFFAOYSA-N 0 3 320.437 2.251 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@H](F)C(C)C)C1 ZINC001100587347 792735976 /nfs/dbraw/zinc/73/59/76/792735976.db2.gz NUERAPGSGAITGP-HTAVTVPLSA-N 0 3 321.234 2.374 20 30 DEEDHN C=CCCCC(=O)NCC1CC(N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001100623281 792754293 /nfs/dbraw/zinc/75/42/93/792754293.db2.gz GULRWEPGSUFBRJ-LMWSTFAQSA-N 0 3 305.426 2.015 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2cccc(OC)n2)C1 ZINC001100622197 792754975 /nfs/dbraw/zinc/75/49/75/792754975.db2.gz FGFQVVVXWQXICL-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C(C)C)no3)CCC[C@@H]12 ZINC001094529248 792965253 /nfs/dbraw/zinc/96/52/53/792965253.db2.gz NLVBSOYBCKKORU-SJLPKXTDSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCCOCCC=C)C[C@]2(C)C1 ZINC001101238451 793081794 /nfs/dbraw/zinc/08/17/94/793081794.db2.gz FKQZITVVHSYBSP-MJGOQNOKSA-N 0 3 318.461 2.163 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@H](NC(=O)C(C)C)c1nccn12 ZINC001101607154 793267779 /nfs/dbraw/zinc/26/77/79/793267779.db2.gz HXOXDEVUNMLHPO-GJZGRUSLSA-N 0 3 316.449 2.466 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C(F)F ZINC001101657093 793297592 /nfs/dbraw/zinc/29/75/92/793297592.db2.gz IFTGRCXSRSSVSO-NXEZZACHSA-N 0 3 313.373 2.069 20 30 DEEDHN CN(C)C1(C(=O)N(C)CCNc2cccc(F)c2C#N)CCC1 ZINC001101811149 793390155 /nfs/dbraw/zinc/39/01/55/793390155.db2.gz MYDMGUPHPREMPW-UHFFFAOYSA-N 0 3 318.396 2.052 20 30 DEEDHN CCOC(=O)[C@H]1CN([C@@H](C)Cc2ccc(C#N)cc2)CCS1 ZINC001172313483 793396017 /nfs/dbraw/zinc/39/60/17/793396017.db2.gz XPHOQOLWCATKJW-XJKSGUPXSA-N 0 3 318.442 2.470 20 30 DEEDHN C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001101951158 793457337 /nfs/dbraw/zinc/45/73/37/793457337.db2.gz CZDNPUCZIGFUKQ-RHSMWYFYSA-N 0 3 314.404 2.423 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001101951445 793458035 /nfs/dbraw/zinc/45/80/35/793458035.db2.gz QGBXLXWXFZXKDQ-RHSMWYFYSA-N 0 3 314.404 2.423 20 30 DEEDHN Cc1nocc1CN1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101954882 793459864 /nfs/dbraw/zinc/45/98/64/793459864.db2.gz IAHMTYFAZQEYCJ-UKRRQHHQSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H]2CCC[C@@H](C(=O)OC)C2)C1 ZINC001172624785 793468419 /nfs/dbraw/zinc/46/84/19/793468419.db2.gz ZNEFCSUTZKXOKA-KFWWJZLASA-N 0 3 324.421 2.095 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCC(NCc2cc(C#N)co2)CC1 ZINC001172891991 793528934 /nfs/dbraw/zinc/52/89/34/793528934.db2.gz MKWNXUPAAVFGAB-UHFFFAOYSA-N 0 3 319.405 2.047 20 30 DEEDHN C[C@H](N)c1nccn1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967200 793545470 /nfs/dbraw/zinc/54/54/70/793545470.db2.gz UOKKWOSVXLENTA-XQQFMLRXSA-N 0 3 319.409 2.367 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)COC)C1 ZINC001102773338 793751097 /nfs/dbraw/zinc/75/10/97/793751097.db2.gz DTFMSEMWFFYSLA-YRGRVCCFSA-N 0 3 302.846 2.096 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173519286 793758032 /nfs/dbraw/zinc/75/80/32/793758032.db2.gz MHXDNHKSOPYWHO-BLLLJJGKSA-N 0 3 312.410 2.093 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](CC)N(C)C)Nc1cccc(F)c1C#N ZINC001103137499 793952877 /nfs/dbraw/zinc/95/28/77/793952877.db2.gz LJROHFBZZKPZPN-WBMJQRKESA-N 0 3 320.412 2.344 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103521417 794133313 /nfs/dbraw/zinc/13/33/13/794133313.db2.gz WGVRRSPMTDSTRO-WCVJEAGWSA-N 0 3 312.429 2.011 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCCCNCC#N ZINC001175573132 794244835 /nfs/dbraw/zinc/24/48/35/794244835.db2.gz OLFKFOGEILIKHX-HZPDHXFCSA-N 0 3 308.470 2.037 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCCCNCC#N ZINC001175573134 794245407 /nfs/dbraw/zinc/24/54/07/794245407.db2.gz OLFKFOGEILIKHX-JKSUJKDBSA-N 0 3 308.470 2.037 20 30 DEEDHN C#Cc1cc(Nc2ccc(N3CCN(CC)CC3)cc2)ccn1 ZINC001175779789 794287485 /nfs/dbraw/zinc/28/74/85/794287485.db2.gz WTMUUTJTUPNBOT-UHFFFAOYSA-N 0 3 306.413 2.370 20 30 DEEDHN C[NH+](C)CCNC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001175810552 794299315 /nfs/dbraw/zinc/29/93/15/794299315.db2.gz XOQMNGFMPZMAAQ-UHFFFAOYSA-N 0 3 324.384 2.299 20 30 DEEDHN CCCN(C)CC(=O)NCC1(Nc2cccc(F)c2C#N)CC1 ZINC001110193802 794371196 /nfs/dbraw/zinc/37/11/96/794371196.db2.gz YNPIUTMNFHHPRC-UHFFFAOYSA-N 0 3 318.396 2.100 20 30 DEEDHN Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C#N)C1 ZINC001111666490 794452615 /nfs/dbraw/zinc/45/26/15/794452615.db2.gz DBMXDSDJEJEGNQ-ZVZYQTTQSA-N 0 3 312.417 2.020 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC(F)(F)F)C1 ZINC001111684052 794453131 /nfs/dbraw/zinc/45/31/31/794453131.db2.gz AKDBHPITFPEYLA-JSGCOSHPSA-N 0 3 302.340 2.323 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC(C)C)C2 ZINC001110197767 794505347 /nfs/dbraw/zinc/50/53/47/794505347.db2.gz DGLZONCPDZTQJV-IKGGRYGDSA-N 0 3 324.465 2.116 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001111868549 794507141 /nfs/dbraw/zinc/50/71/41/794507141.db2.gz CJLPQFXQEXWTCK-VKJFTORMSA-N 0 3 315.417 2.006 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001177269801 794630457 /nfs/dbraw/zinc/63/04/57/794630457.db2.gz VZJCJHZQOJPGGN-LBPRGKRZSA-N 0 3 312.360 2.152 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC001177468641 794672659 /nfs/dbraw/zinc/67/26/59/794672659.db2.gz UYKAGLKWBYNPPL-SWLSCSKDSA-N 0 3 308.809 2.400 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOc1cccc(C)c1 ZINC001115204545 794703945 /nfs/dbraw/zinc/70/39/45/794703945.db2.gz CTLMXTNLWUHTEI-DZFIZOCASA-N 0 3 314.429 2.386 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001115337530 794739689 /nfs/dbraw/zinc/73/96/89/794739689.db2.gz YREVCPXKABFATG-KKBVYLPWSA-N 0 3 302.393 2.237 20 30 DEEDHN C=CCCC(=O)NCCCCCCNCc1cncc(OC)n1 ZINC001178008118 794794661 /nfs/dbraw/zinc/79/46/61/794794661.db2.gz RWOPVSIUCYXGSY-UHFFFAOYSA-N 0 3 320.437 2.218 20 30 DEEDHN Cc1ncoc1CNCCCCCCNC(=O)C#CC(C)C ZINC001178419329 794922537 /nfs/dbraw/zinc/92/25/37/794922537.db2.gz VGLJMGYFMUAKAZ-UHFFFAOYSA-N 0 3 305.422 2.409 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C=C(CC)CC)[C@H]1C ZINC001178459862 794929485 /nfs/dbraw/zinc/92/94/85/794929485.db2.gz YTIPFWMGHVVEMZ-DZKIICNBSA-N 0 3 321.465 2.003 20 30 DEEDHN C#CC[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC001178787032 794994186 /nfs/dbraw/zinc/99/41/86/794994186.db2.gz HWWQTMPLSGGRKC-OAHLLOKOSA-N 0 3 300.333 2.487 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)N[C@@H](C)CC)[C@@H]1C ZINC001178794944 794994736 /nfs/dbraw/zinc/99/47/36/794994736.db2.gz DWTIOXHDYDHNQF-KKUMJFAQSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)[C@@H]1C ZINC001178805391 795000491 /nfs/dbraw/zinc/00/04/91/795000491.db2.gz DOMWZVRPHGJVTK-KKUMJFAQSA-N 0 3 323.481 2.225 20 30 DEEDHN N#Cc1cccc(NC(=O)CCNCc2cccc3c2OCO3)c1 ZINC001118086021 795151618 /nfs/dbraw/zinc/15/16/18/795151618.db2.gz OGFYXDPZHRGTRV-UHFFFAOYSA-N 0 3 323.352 2.405 20 30 DEEDHN C#CCN(CC#CCN1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC001118814483 795230303 /nfs/dbraw/zinc/23/03/03/795230303.db2.gz ANLDWXIAYORGKK-UHFFFAOYSA-N 0 3 320.392 2.164 20 30 DEEDHN C=CC[C@H]1NC(=O)N([C@H]2CCN(Cc3ccc(C)cc3)C2)C1=O ZINC001118922510 795238909 /nfs/dbraw/zinc/23/89/09/795238909.db2.gz BUKYPTLXEARIII-JKSUJKDBSA-N 0 3 313.401 2.066 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C[C@H](c2ccc(CC)cc2)N(C)C)C1=O ZINC001119626060 795332152 /nfs/dbraw/zinc/33/21/52/795332152.db2.gz ZVSBCXPGFINIJY-JKSUJKDBSA-N 0 3 315.417 2.348 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(CC(N)=O)CC1 ZINC001120549576 795482538 /nfs/dbraw/zinc/48/25/38/795482538.db2.gz JQVMLLJVOIKOAZ-OAHLLOKOSA-N 0 3 311.470 2.178 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3snnc3C)C2)C1 ZINC001120819143 795536158 /nfs/dbraw/zinc/53/61/58/795536158.db2.gz PDCMBXNDBSEOQM-UHFFFAOYSA-N 0 3 320.462 2.330 20 30 DEEDHN C#CCCCC(=O)NC1CC2(CC(NCc3cc(C)no3)C2)C1 ZINC001121008107 795576775 /nfs/dbraw/zinc/57/67/75/795576775.db2.gz XBNCSEXQFFYZCD-UHFFFAOYSA-N 0 3 315.417 2.304 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2CCN(CC(C)C)CC2)n1C ZINC001121239790 795607193 /nfs/dbraw/zinc/60/71/93/795607193.db2.gz CAIHSVOUSJGYFQ-HNNXBMFYSA-N 0 3 303.454 2.110 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1(COC)CC1)C2 ZINC001121409759 795628231 /nfs/dbraw/zinc/62/82/31/795628231.db2.gz OIIYUWAZPGMZEP-UHFFFAOYSA-N 0 3 312.841 2.183 20 30 DEEDHN Cc1cc(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)sn1 ZINC001182458049 795686036 /nfs/dbraw/zinc/68/60/36/795686036.db2.gz AKWLHHYDIMGHIT-CYBMUJFWSA-N 0 3 305.447 2.192 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C(=O)OCC)cc1 ZINC001121933659 795706355 /nfs/dbraw/zinc/70/63/55/795706355.db2.gz VUDFDLSIHZLTJD-HNNXBMFYSA-N 0 3 304.390 2.163 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001182569013 795708092 /nfs/dbraw/zinc/70/80/92/795708092.db2.gz AGFODUZXUFBVGG-OAHLLOKOSA-N 0 3 314.433 2.216 20 30 DEEDHN CC[C@H](C)CCCCC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001182874344 795772250 /nfs/dbraw/zinc/77/22/50/795772250.db2.gz RBFSYGSVIHDGGZ-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@H](NCc2cccnc2)C1)OCC ZINC001182953709 795782283 /nfs/dbraw/zinc/78/22/83/795782283.db2.gz GZGRORSBCBNRDT-IAGOWNOFSA-N 0 3 317.433 2.143 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc(Cl)o2)c1 ZINC001123558916 795933017 /nfs/dbraw/zinc/93/30/17/795933017.db2.gz MDXDKVJMZOQAHJ-UHFFFAOYSA-N 0 3 303.749 2.324 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001184496843 796065913 /nfs/dbraw/zinc/06/59/13/796065913.db2.gz GIZOHGUFAYPDOA-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001184646442 796099178 /nfs/dbraw/zinc/09/91/78/796099178.db2.gz YZWNGVMKUKHPGM-IEOKHJKGSA-N 0 3 300.830 2.158 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001185064400 796173763 /nfs/dbraw/zinc/17/37/63/796173763.db2.gz NQIUXVKDEDTPHL-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOc1ccc(CN2C[C@H](CO)CC[C@@H]2C)cc1OC ZINC001138342758 796200541 /nfs/dbraw/zinc/20/05/41/796200541.db2.gz CXUYUVLLILXKHZ-GOEBONIOSA-N 0 3 303.402 2.300 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1[O-] ZINC001138631483 796247633 /nfs/dbraw/zinc/24/76/33/796247633.db2.gz UGRCAFNSKHTPHL-INIZCTEOSA-N 0 3 300.402 2.317 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c1[O-] ZINC001138631483 796247636 /nfs/dbraw/zinc/24/76/36/796247636.db2.gz UGRCAFNSKHTPHL-INIZCTEOSA-N 0 3 300.402 2.317 20 30 DEEDHN C=CCOc1ccccc1CN1CCC(=O)N2CCC[C@@H]2C1 ZINC001139030316 796311868 /nfs/dbraw/zinc/31/18/68/796311868.db2.gz DZEOKLPUKTXCET-MRXNPFEDSA-N 0 3 300.402 2.448 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001185859855 796328397 /nfs/dbraw/zinc/32/83/97/796328397.db2.gz PZAUJAAELRAENS-SNVBAGLBSA-N 0 3 312.747 2.446 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202909099 796342375 /nfs/dbraw/zinc/34/23/75/796342375.db2.gz DGBHBLRRHDDXLW-LSDHHAIUSA-N 0 3 315.442 2.074 20 30 DEEDHN N#Cc1cccc2c(CN3CCC[C@H](n4ccnn4)C3)c[nH]c21 ZINC001139707376 796413491 /nfs/dbraw/zinc/41/34/91/796413491.db2.gz YHJQIRWKSMRKEQ-HNNXBMFYSA-N 0 3 306.373 2.468 20 30 DEEDHN C=CCn1cc(CN2CCc3ncnc(C4CC4)c3CC2)cn1 ZINC001139772064 796425432 /nfs/dbraw/zinc/42/54/32/796425432.db2.gz YRZGCPVPUGDLKH-UHFFFAOYSA-N 0 3 309.417 2.337 20 30 DEEDHN C=CCn1cc(CN2CCC3(CCOC[C@@H]3COC)CC2)cn1 ZINC001139771485 796425623 /nfs/dbraw/zinc/42/56/23/796425623.db2.gz FHAXPPWNWJBMTL-KRWDZBQOSA-N 0 3 319.449 2.334 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC001139866002 796438401 /nfs/dbraw/zinc/43/84/01/796438401.db2.gz WXCZUUCXVKKBIR-RHSMWYFYSA-N 0 3 318.417 2.181 20 30 DEEDHN CC(=O)N(C)C1CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140115814 796478594 /nfs/dbraw/zinc/47/85/94/796478594.db2.gz MYEACBJZTIBJHA-UHFFFAOYSA-N 0 3 310.401 2.482 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001187240328 796504459 /nfs/dbraw/zinc/50/44/59/796504459.db2.gz PYISPMAJOWKJSY-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](NCC(=O)NCC)C1 ZINC001187340949 796527944 /nfs/dbraw/zinc/52/79/44/796527944.db2.gz JEGMOXOTBVBBRR-OAHLLOKOSA-N 0 3 311.470 2.064 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2cccc(OCC)c2)C1 ZINC001188229066 796646468 /nfs/dbraw/zinc/64/64/68/796646468.db2.gz DBIFQLLFRYNQSF-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001188361095 796666767 /nfs/dbraw/zinc/66/67/67/796666767.db2.gz BREBDOPTXJAZAW-MRXNPFEDSA-N 0 3 321.852 2.061 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C/C=C(\C)C=C)[C@@H]2C1 ZINC001188855944 796734477 /nfs/dbraw/zinc/73/44/77/796734477.db2.gz KDLJQFKGIREUTK-RMBMISDLSA-N 0 3 304.434 2.244 20 30 DEEDHN CO[C@H](C)CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189298844 796798650 /nfs/dbraw/zinc/79/86/50/796798650.db2.gz ASEOJGMQRCKJPX-PBHICJAKSA-N 0 3 315.417 2.016 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCN(C3CCOCC3)CC2)c1F ZINC001143172710 796807796 /nfs/dbraw/zinc/80/77/96/796807796.db2.gz CLDBUGBKYIOLTP-UHFFFAOYSA-N 0 3 321.371 2.133 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149261629 796834648 /nfs/dbraw/zinc/83/46/48/796834648.db2.gz AGADDALVPXJROE-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cscc2C)C1 ZINC001189565106 796844915 /nfs/dbraw/zinc/84/49/15/796844915.db2.gz LDNJKDHKVDSMAV-AWEZNQCLSA-N 0 3 308.447 2.405 20 30 DEEDHN C[C@@H](Oc1ccccc1)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001149778082 796893845 /nfs/dbraw/zinc/89/38/45/796893845.db2.gz IIQWUZKUZPSJMU-OAHLLOKOSA-N 0 3 323.396 2.232 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccccc2)C1 ZINC001149904071 796904307 /nfs/dbraw/zinc/90/43/07/796904307.db2.gz QJUSNWZNPOYOPI-KRWDZBQOSA-N 0 3 302.418 2.012 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001149961018 796908959 /nfs/dbraw/zinc/90/89/59/796908959.db2.gz XIVQLCZOUANBDZ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001150233017 796930919 /nfs/dbraw/zinc/93/09/19/796930919.db2.gz LTFSFIJRVUYOHZ-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001150317013 796934719 /nfs/dbraw/zinc/93/47/19/796934719.db2.gz GQAMNTLQFQLZAZ-GOEBONIOSA-N 0 3 320.458 2.082 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001150436941 796942919 /nfs/dbraw/zinc/94/29/19/796942919.db2.gz YYEYANTULWJNGK-WBVHZDCISA-N 0 3 320.433 2.241 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H]2CCCCO2)CC1 ZINC001151063738 797007383 /nfs/dbraw/zinc/00/73/83/797007383.db2.gz RVCJORFSFMZNOZ-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](C)n2cccc2)CC1 ZINC001151080526 797008451 /nfs/dbraw/zinc/00/84/51/797008451.db2.gz RLVZARJYVNVPRH-INIZCTEOSA-N 0 3 319.449 2.222 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](CC)SC)CC1 ZINC001151079604 797009208 /nfs/dbraw/zinc/00/92/08/797009208.db2.gz BTMYOGGLOKPYSA-CQSZACIVSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2csc(C)n2)CC1 ZINC001151266818 797028076 /nfs/dbraw/zinc/02/80/76/797028076.db2.gz YIYRXXOIFOAIIN-UHFFFAOYSA-N 0 3 323.462 2.238 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)Cc2ccc[nH]2)CC1 ZINC001151408465 797040045 /nfs/dbraw/zinc/04/00/45/797040045.db2.gz KFIRLEKUVROMNG-UHFFFAOYSA-N 0 3 319.449 2.121 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CCC1CCCC1 ZINC001151648096 797077192 /nfs/dbraw/zinc/07/71/92/797077192.db2.gz APXDUAKNCSDTTO-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)CSC ZINC001151792874 797096073 /nfs/dbraw/zinc/09/60/73/797096073.db2.gz UDXGNWFAYZVPSG-GFCCVEGCSA-N 0 3 323.437 2.387 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001190983958 797118670 /nfs/dbraw/zinc/11/86/70/797118670.db2.gz QLBHSGFQFOSCCQ-BRWVUGGUSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001190984999 797118822 /nfs/dbraw/zinc/11/88/22/797118822.db2.gz ZNBVMPBVLLBLQL-GVDBMIGSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001191011780 797124570 /nfs/dbraw/zinc/12/45/70/797124570.db2.gz NHBBYEXMRDLKLL-IJLUTSLNSA-N 0 3 312.797 2.063 20 30 DEEDHN CCCCCCCNC(=O)NCCN1CCN(C(C)C)CC1 ZINC001191115553 797140191 /nfs/dbraw/zinc/14/01/91/797140191.db2.gz NPVAJBNRDDDPGY-UHFFFAOYSA-N 0 3 312.502 2.282 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001191683201 797239017 /nfs/dbraw/zinc/23/90/17/797239017.db2.gz CWFNUUCTXDUIDF-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001191727255 797248515 /nfs/dbraw/zinc/24/85/15/797248515.db2.gz HWNMGKLFSHUMIN-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN CCOCCCCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001153042236 797275051 /nfs/dbraw/zinc/27/50/51/797275051.db2.gz KGMRSMBQQJSIOK-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCO[C@H]2CC2(F)F)C1 ZINC001192093537 797316455 /nfs/dbraw/zinc/31/64/55/797316455.db2.gz LLHJRGVFEZLTJT-KBPBESRZSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCOC[C@@H]2CCCO2)C1 ZINC001192094553 797324601 /nfs/dbraw/zinc/32/46/01/797324601.db2.gz VAQFPQMKNRIXIM-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1oc(CC2CC2)nc1C ZINC001153413482 797336263 /nfs/dbraw/zinc/33/62/63/797336263.db2.gz BRIXBZJKMNTHBY-CYBMUJFWSA-N 0 3 317.433 2.399 20 30 DEEDHN CC(C)OCCCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001153449500 797340228 /nfs/dbraw/zinc/34/02/28/797340228.db2.gz FMXSNHNAKCZMEM-UHFFFAOYSA-N 0 3 321.396 2.108 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1O ZINC001192328997 797364422 /nfs/dbraw/zinc/36/44/22/797364422.db2.gz RSWZQLULKAFERM-IAGOWNOFSA-N 0 3 308.466 2.312 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001192586328 797415793 /nfs/dbraw/zinc/41/57/93/797415793.db2.gz MKTFHZLDIKNIDP-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2ccsc2C)C1 ZINC001192687426 797432118 /nfs/dbraw/zinc/43/21/18/797432118.db2.gz GPVFQIAOAPKQKH-MRXNPFEDSA-N 0 3 322.474 2.334 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001153973526 797433912 /nfs/dbraw/zinc/43/39/12/797433912.db2.gz CVPKIPQSOXSFAV-UHFFFAOYSA-N 0 3 312.413 2.223 20 30 DEEDHN C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C[NH+]2CCCCC2)cc1 ZINC001193139825 797512150 /nfs/dbraw/zinc/51/21/50/797512150.db2.gz NQZCSNISOLFPJB-CYBMUJFWSA-N 0 3 307.419 2.326 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)noc1C1CC1 ZINC001154356594 797521989 /nfs/dbraw/zinc/52/19/89/797521989.db2.gz XWMFWPSCRZDFQO-GFCCVEGCSA-N 0 3 303.406 2.324 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1sc(C)nc1C ZINC001154396665 797527870 /nfs/dbraw/zinc/52/78/70/797527870.db2.gz QDFARIKUKRREPQ-GFCCVEGCSA-N 0 3 307.463 2.152 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ncccc2Cl)C1 ZINC001193579273 797587161 /nfs/dbraw/zinc/58/71/61/797587161.db2.gz LLNQXUVNSHWZNO-CYBMUJFWSA-N 0 3 323.824 2.084 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)OCc2ccc(F)cc2)C1 ZINC001193775893 797618889 /nfs/dbraw/zinc/61/88/89/797618889.db2.gz AOFFYDQGRKUPTD-YOEHRIQHSA-N 0 3 320.408 2.450 20 30 DEEDHN Cc1nc(-n2nc(C(F)(F)F)c3c2CCNC3)ccc1CC#N ZINC001154846489 797625262 /nfs/dbraw/zinc/62/52/62/797625262.db2.gz KSIRPKAGAGJKQP-UHFFFAOYSA-N 0 3 321.306 2.306 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCc2ccsc2)C1 ZINC001193971515 797656553 /nfs/dbraw/zinc/65/65/53/797656553.db2.gz WTPBXNVIWWJCTQ-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2ncc(O)cc21 ZINC001155052187 797669756 /nfs/dbraw/zinc/66/97/56/797669756.db2.gz DEBKHIMSRPZPFB-ZDUSSCGKSA-N 0 3 311.385 2.321 20 30 DEEDHN CCSCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155081388 797676939 /nfs/dbraw/zinc/67/69/39/797676939.db2.gz IPJHZIHVWLVIPV-UHFFFAOYSA-N 0 3 323.437 2.436 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2c(C)nsc2C)C1 ZINC001194314030 797706705 /nfs/dbraw/zinc/70/67/05/797706705.db2.gz DQZXNILLZQAMMC-CQSZACIVSA-N 0 3 323.462 2.109 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001155217160 797710952 /nfs/dbraw/zinc/71/09/52/797710952.db2.gz IMLLISMYNVSEKW-MRXNPFEDSA-N 0 3 311.429 2.136 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1noc2c1CCCC2 ZINC001155418431 797753463 /nfs/dbraw/zinc/75/34/63/797753463.db2.gz IXRWXMZPEHDUEF-CYBMUJFWSA-N 0 3 303.406 2.017 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)OCCCC ZINC001155432797 797756593 /nfs/dbraw/zinc/75/65/93/797756593.db2.gz GYSNBTZUSBTNMK-LBPRGKRZSA-N 0 3 321.259 2.196 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cc(F)c(F)cc1F ZINC001155478789 797767882 /nfs/dbraw/zinc/76/78/82/797767882.db2.gz YVVIMQWDLSTAQD-LLVKDONJSA-N 0 3 312.335 2.106 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1NC(=O)CC ZINC001155924883 797882023 /nfs/dbraw/zinc/88/20/23/797882023.db2.gz WSJHQXIMBJVNIB-CQSZACIVSA-N 0 3 315.417 2.109 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195339468 797882416 /nfs/dbraw/zinc/88/24/16/797882416.db2.gz YMHIXBDHQYOKSM-WVNAIOQISA-N 0 3 320.477 2.478 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001195623369 797932074 /nfs/dbraw/zinc/93/20/74/797932074.db2.gz BTEKGXZGFKWUMU-DAXOMENPSA-N 0 3 318.417 2.287 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2cnnn2CC)CC1 ZINC001195728475 797943717 /nfs/dbraw/zinc/94/37/17/797943717.db2.gz XJHARXIJIPTGSE-UHFFFAOYSA-N 0 3 321.469 2.416 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001156209002 797948846 /nfs/dbraw/zinc/94/88/46/797948846.db2.gz APZDANXTNKJXPO-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001156218715 797951574 /nfs/dbraw/zinc/95/15/74/797951574.db2.gz VHDYWXKJGLOMPD-OAHLLOKOSA-N 0 3 316.445 2.433 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001196068176 797997311 /nfs/dbraw/zinc/99/73/11/797997311.db2.gz LKYODCBZDIQXJK-CHWSQXEVSA-N 0 3 318.408 2.185 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2occc2C)C1 ZINC001196030493 797998664 /nfs/dbraw/zinc/99/86/64/797998664.db2.gz OTXJCIBRJSVKGN-HZPDHXFCSA-N 0 3 322.449 2.262 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC001196072641 798002098 /nfs/dbraw/zinc/00/20/98/798002098.db2.gz IPUUICHSVVKDGZ-UHFFFAOYSA-N 0 3 316.449 2.412 20 30 DEEDHN COCC(C)(C)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156462269 798005443 /nfs/dbraw/zinc/00/54/43/798005443.db2.gz BTLQJXCTQJEJBC-NSHDSACASA-N 0 3 320.393 2.262 20 30 DEEDHN Cc1ncc(C#N)c(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC001156531604 798022751 /nfs/dbraw/zinc/02/27/51/798022751.db2.gz OXGAWKOWEAWOCV-QGZVFWFLSA-N 0 3 307.401 2.328 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(F)ccc(OC)c1F ZINC001156525489 798023193 /nfs/dbraw/zinc/02/31/93/798023193.db2.gz QPGMMKNAOYYJMJ-LLVKDONJSA-N 0 3 310.344 2.047 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001196333437 798040473 /nfs/dbraw/zinc/04/04/73/798040473.db2.gz JUYJWCUJXAQYRZ-BRWVUGGUSA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](CC)SC ZINC001156634643 798047410 /nfs/dbraw/zinc/04/74/10/798047410.db2.gz RFVSELUUVSJMNU-JTQLQIEISA-N 0 3 309.273 2.133 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1OCc2ccccc21 ZINC001156641616 798049987 /nfs/dbraw/zinc/04/99/87/798049987.db2.gz IJUZDZNZDLODPI-PBHICJAKSA-N 0 3 300.402 2.108 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCOCC(F)(F)F)CC1 ZINC001196401631 798051373 /nfs/dbraw/zinc/05/13/73/798051373.db2.gz QYTLZABKIYTXDB-UHFFFAOYSA-N 0 3 308.344 2.066 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncccc1OC(C)C ZINC001156669451 798057544 /nfs/dbraw/zinc/05/75/44/798057544.db2.gz KMYGZHOCXHICBA-OAHLLOKOSA-N 0 3 317.433 2.332 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCCN1C(=O)CCC ZINC001156668397 798057613 /nfs/dbraw/zinc/05/76/13/798057613.db2.gz PTDBEZMXPANKQE-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCCN1CCCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC001196424390 798058951 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CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3cccc(C#N)c3)C[C@H]1N2C ZINC001205595788 800383722 /nfs/dbraw/zinc/38/37/22/800383722.db2.gz PCXUQKHTNXDTKL-WNRNVDISSA-N 0 3 314.385 2.242 20 30 DEEDHN CC#CCCCC(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205970061 800452784 /nfs/dbraw/zinc/45/27/84/800452784.db2.gz KMPADGMEJNWUIW-UHFFFAOYSA-N 0 3 320.462 2.060 20 30 DEEDHN C=C(CN1CCCC1)c1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC001206100341 800473671 /nfs/dbraw/zinc/47/36/71/800473671.db2.gz MLFJVFGFUXMOCY-UHFFFAOYSA-N 0 3 322.372 2.426 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccncc2F)CC1 ZINC001206786899 800590278 /nfs/dbraw/zinc/59/02/78/800590278.db2.gz GZANEOYRXBEVTB-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN O=C(C(F)F)N1CCC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001206983847 800647138 /nfs/dbraw/zinc/64/71/38/800647138.db2.gz CBTXZPZAOBONCZ-CQSZACIVSA-N 0 3 310.319 2.023 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001207021840 800660005 /nfs/dbraw/zinc/66/00/05/800660005.db2.gz BIIZOFPKBUGNTJ-GDBMZVCRSA-N 0 3 320.408 2.387 20 30 DEEDHN CC(F)(F)C(=O)N1CCC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001207041757 800666083 /nfs/dbraw/zinc/66/60/83/800666083.db2.gz OZRXZYHZQZYEIF-OAHLLOKOSA-N 0 3 324.346 2.413 20 30 DEEDHN CC(C)N1CC2(CC1=O)CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC001207107735 800685526 /nfs/dbraw/zinc/68/55/26/800685526.db2.gz ANMJOVOTRZBKQM-UHFFFAOYSA-N 0 3 314.433 2.120 20 30 DEEDHN C=CCN(CCN(C)CCC1OCCO1)C(=O)OC(C)(C)C ZINC001207203632 800708586 /nfs/dbraw/zinc/70/85/86/800708586.db2.gz KXAPGAOYNXSWED-UHFFFAOYSA-N 0 3 314.426 2.104 20 30 DEEDHN C=CCN1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211136 800709613 /nfs/dbraw/zinc/70/96/13/800709613.db2.gz NAKVPPHTXNSAJJ-OAHLLOKOSA-N 0 3 309.454 2.047 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2C)CCC1 ZINC001207521805 800771017 /nfs/dbraw/zinc/77/10/17/800771017.db2.gz IRWFSFMKLGYCHN-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cccnc2)C1 ZINC001207618989 800789422 /nfs/dbraw/zinc/78/94/22/800789422.db2.gz SUSRVOYSJXRWRB-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(CC)CC)C1 ZINC001207629452 800794033 /nfs/dbraw/zinc/79/40/33/800794033.db2.gz QYVXVBRKPAILGA-HOCLYGCPSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001208240762 800936606 /nfs/dbraw/zinc/93/66/06/800936606.db2.gz QJTJTAHRNNNMFI-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001208255436 800941105 /nfs/dbraw/zinc/94/11/05/800941105.db2.gz IHWYRRSJYIWIPS-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN Cc1nccnc1O[C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC001208929870 801095244 /nfs/dbraw/zinc/09/52/44/801095244.db2.gz WFSOJUJWXYYYDY-KRWDZBQOSA-N 0 3 308.385 2.353 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001209146326 801135363 /nfs/dbraw/zinc/13/53/63/801135363.db2.gz NOPDGQUFFLBHNA-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001209161234 801140486 /nfs/dbraw/zinc/14/04/86/801140486.db2.gz JSJFCULLLFHXTA-ULQDDVLXSA-N 0 3 315.417 2.009 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001209183055 801144977 /nfs/dbraw/zinc/14/49/77/801144977.db2.gz LBKYWXYMKMGKLH-LSDHHAIUSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCCN1C[C@H]2C[C@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001209202534 801150111 /nfs/dbraw/zinc/15/01/11/801150111.db2.gz KMROVJCDNSUIFH-IXDOHACOSA-N 0 3 318.417 2.341 20 30 DEEDHN C#CCCCN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC001209266486 801162383 /nfs/dbraw/zinc/16/23/83/801162383.db2.gz REXHYTPLBVAYNU-SJORKVTESA-N 0 3 310.397 2.049 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001209375943 801179904 /nfs/dbraw/zinc/17/99/04/801179904.db2.gz XSBZJKQTCFKDDX-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCCCCN1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001209423075 801190382 /nfs/dbraw/zinc/19/03/82/801190382.db2.gz NNIURLZQLDPGKT-CVEARBPZSA-N 0 3 302.422 2.112 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@H](C)n2cccc2)CC1 ZINC001230083502 801360371 /nfs/dbraw/zinc/36/03/71/801360371.db2.gz NJJCFTGDQXEBFK-INIZCTEOSA-N 0 3 319.449 2.222 20 30 DEEDHN Cc1cnoc1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001210457613 801404549 /nfs/dbraw/zinc/40/45/49/801404549.db2.gz VRYWSQXCYPSUQD-KRWDZBQOSA-N 0 3 323.396 2.229 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)nc1 ZINC001210728126 801453655 /nfs/dbraw/zinc/45/36/55/801453655.db2.gz IZLGWSIJWFEIFW-LSDHHAIUSA-N 0 3 303.381 2.005 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)cc3C)C[C@H]1N2C ZINC001230682748 801460948 /nfs/dbraw/zinc/46/09/48/801460948.db2.gz QSNSZKQBPKVJCO-LISAXSMJSA-N 0 3 314.385 2.412 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@H](C)SC)Cc1cccnc1 ZINC001230692423 801464059 /nfs/dbraw/zinc/46/40/59/801464059.db2.gz HUFJORKYSQDMNR-HNNXBMFYSA-N 0 3 319.474 2.165 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@@H](C)C#N)Cc1cccnc1 ZINC001230713673 801471788 /nfs/dbraw/zinc/47/17/88/801471788.db2.gz IUPKTBINXPWGDF-HNNXBMFYSA-N 0 3 300.406 2.126 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001210979329 801495871 /nfs/dbraw/zinc/49/58/71/801495871.db2.gz GBJHDCPZLQFOQE-NVXWUHKLSA-N 0 3 302.418 2.386 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)COc2ccccc2)C1 ZINC001211066312 801506862 /nfs/dbraw/zinc/50/68/62/801506862.db2.gz HFSHIYSFWFCCFU-JFIYKMOQSA-N 0 3 314.429 2.161 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H]1C[C@H]1CC)Cc1cccnc1 ZINC001230856183 801514664 /nfs/dbraw/zinc/51/46/64/801514664.db2.gz MJQRABMFUVHQSF-QZTJIDSGSA-N 0 3 313.445 2.459 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CN(C)c2ccccc2)C1 ZINC001211445790 801567092 /nfs/dbraw/zinc/56/70/92/801567092.db2.gz OOMUDQVOQRDRCF-NVXWUHKLSA-N 0 3 301.434 2.135 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C(F)F)CCC2)[C@H](OC)C1 ZINC001213333210 801596853 /nfs/dbraw/zinc/59/68/53/801596853.db2.gz CTAPZJDKEUAUHJ-CHWSQXEVSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)[C@H](OC)C1 ZINC001213485414 801615108 /nfs/dbraw/zinc/61/51/08/801615108.db2.gz GSBVIPJEFXZSAI-VXGBXAGGSA-N 0 3 320.355 2.111 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)s2)C1 ZINC001214527514 801725398 /nfs/dbraw/zinc/72/53/98/801725398.db2.gz YPZXOPSKYVARGS-IUODEOHRSA-N 0 3 305.447 2.192 20 30 DEEDHN CN(C)Cc1ccc(-c2noc(-c3cnc(C#N)cn3)n2)cc1 ZINC001214912706 801775311 /nfs/dbraw/zinc/77/53/11/801775311.db2.gz HMTVXZARAGZUKL-UHFFFAOYSA-N 0 3 306.329 2.127 20 30 DEEDHN Cn1cc(CN2CCC3SC(=O)C=C3C2)c(C(F)(F)F)n1 ZINC001232092422 801791424 /nfs/dbraw/zinc/79/14/24/801791424.db2.gz JJYNAQBCJDBNTL-SNVBAGLBSA-N 0 3 317.336 2.213 20 30 DEEDHN N#Cc1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001215166314 801815808 /nfs/dbraw/zinc/81/58/08/801815808.db2.gz SSUIDAFEDSMWHD-UHFFFAOYSA-N 0 3 303.325 2.316 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@@H](C)[C@H](NCc3ccnn3C)C2)CC1 ZINC001215470072 801865208 /nfs/dbraw/zinc/86/52/08/801865208.db2.gz BUDUJZNGGUMTHR-GDBMZVCRSA-N 0 3 316.449 2.103 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(OC(F)F)nc3)CCC2S1 ZINC001232955509 801989883 /nfs/dbraw/zinc/98/98/83/801989883.db2.gz NFEOOIWYOXQZDF-NSHDSACASA-N 0 3 312.341 2.457 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC001217196451 802052796 /nfs/dbraw/zinc/05/27/96/802052796.db2.gz QMGZKANHWSNZJX-IJEWVQPXSA-N 0 3 304.390 2.160 20 30 DEEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CCCO3)[C@H]2C1 ZINC001217225362 802061252 /nfs/dbraw/zinc/06/12/52/802061252.db2.gz IQBOLKZGLFZNSO-GVDBMIGSSA-N 0 3 324.465 2.047 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)/C=C(/C)C3CC3)[C@H]2C1 ZINC001217388138 802073839 /nfs/dbraw/zinc/07/38/39/802073839.db2.gz RPUORTXVSSDDRU-OZVXOSDZSA-N 0 3 304.434 2.221 20 30 DEEDHN CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1cccc2c1CNC2 ZINC001218356737 802170456 /nfs/dbraw/zinc/17/04/56/802170456.db2.gz RNMRZQAYQKSBCW-MRXNPFEDSA-N 0 3 317.461 2.481 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3C[C@@H]3C)[C@H]2C1 ZINC001218446986 802184034 /nfs/dbraw/zinc/18/40/34/802184034.db2.gz FJGDEBUHORERMI-LUKYLMHMSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001218523279 802197951 /nfs/dbraw/zinc/19/79/51/802197951.db2.gz JLMDVUGNPHWWRB-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](C)c3ccco3)[C@H]2C1 ZINC001218618903 802215280 /nfs/dbraw/zinc/21/52/80/802215280.db2.gz ZFZDYJLOCDEAKB-HLLBOEOZSA-N 0 3 318.417 2.261 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C3CC4(CC4)C3)[C@H]2C1 ZINC001218617785 802216449 /nfs/dbraw/zinc/21/64/49/802216449.db2.gz MSNAXPDWIVGIJV-JKSUJKDBSA-N 0 3 304.434 2.054 20 30 DEEDHN CN(C[C@H]1CCN1CCC1CCOCC1)C(=O)C#CC(C)(C)C ZINC001234215171 802326877 /nfs/dbraw/zinc/32/68/77/802326877.db2.gz JMXKIKSIAMMZJU-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001219511918 802340053 /nfs/dbraw/zinc/34/00/53/802340053.db2.gz ZPNNESIDWUBVMR-CVEARBPZSA-N 0 3 306.406 2.109 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001234322684 802353092 /nfs/dbraw/zinc/35/30/92/802353092.db2.gz JUADBTVITONWGT-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCCOC ZINC001234510254 802396545 /nfs/dbraw/zinc/39/65/45/802396545.db2.gz WBTMTJHGVOGAPJ-ZDUSSCGKSA-N 0 3 302.846 2.334 20 30 DEEDHN CC(C)[NH+]1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234510814 802399269 /nfs/dbraw/zinc/39/92/69/802399269.db2.gz GDSJHHUUIAHFCC-UHFFFAOYSA-N 0 3 312.373 2.459 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220133631 802413298 /nfs/dbraw/zinc/41/32/98/802413298.db2.gz IFNUSQQFTIUCFL-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCCCC)C[C@@H]2O)CC1 ZINC001220274907 802436376 /nfs/dbraw/zinc/43/63/76/802436376.db2.gz INGJQDZQXCYXNB-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCCC(C)C)C[C@@H]2O)CC1 ZINC001220289947 802439075 /nfs/dbraw/zinc/43/90/75/802439075.db2.gz JLRAFISEAOBLOV-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)[C@@H](O)C1 ZINC001220403901 802455555 /nfs/dbraw/zinc/45/55/55/802455555.db2.gz JUYJWCUJXAQYRZ-BBWFWOEESA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220434608 802460488 /nfs/dbraw/zinc/46/04/88/802460488.db2.gz SOKGWFUKBJSLPB-AISUJJHZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCOc1ccccc1[C@H](C)NC(=O)C(N)C(F)(F)F ZINC001220664010 802485179 /nfs/dbraw/zinc/48/51/79/802485179.db2.gz ULHKQAXKQDSGID-CABZTGNLSA-N 0 3 302.296 2.318 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001220834946 802502706 /nfs/dbraw/zinc/50/27/06/802502706.db2.gz OWNGXULXQCXPPY-CABCVRRESA-N 0 3 308.809 2.081 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001221481972 802581186 /nfs/dbraw/zinc/58/11/86/802581186.db2.gz QNJFMNPUPCLTMP-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001221514612 802585609 /nfs/dbraw/zinc/58/56/09/802585609.db2.gz GRJJYJFHCGFOPP-HUUCEWRRSA-N 0 3 310.388 2.368 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN([C@@H](C)COC)C[C@H]21 ZINC001221574974 802594526 /nfs/dbraw/zinc/59/45/26/802594526.db2.gz SRINHKLQKWEZEX-USXIJHARSA-N 0 3 306.450 2.322 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(CCC[C@H](C)O)C[C@H]21 ZINC001221730577 802606944 /nfs/dbraw/zinc/60/69/44/802606944.db2.gz LVPWTINZWNHHOJ-ARFHVFGLSA-N 0 3 308.466 2.282 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCC[C@@H](C)O)C[C@H]32)C1 ZINC001221802671 802616661 /nfs/dbraw/zinc/61/66/61/802616661.db2.gz PCFAJFXBOZTBSG-BZUAXINKSA-N 0 3 306.450 2.036 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@H]3CCN([C@H](C)COC)C[C@H]32)CC1 ZINC001221795286 802616814 /nfs/dbraw/zinc/61/68/14/802616814.db2.gz RUPLVRUKAXZFFT-BZUAXINKSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)COCCCCCC)[C@@H]2C1 ZINC001221981142 802631552 /nfs/dbraw/zinc/63/15/52/802631552.db2.gz VRVSSVHXXKLHJL-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001222072923 802637772 /nfs/dbraw/zinc/63/77/72/802637772.db2.gz MZBRONKYYFXXFL-RYUDHWBXSA-N 0 3 321.248 2.477 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001222636180 802719484 /nfs/dbraw/zinc/71/94/84/802719484.db2.gz IYXVKYCFRBKMEL-AWEZNQCLSA-N 0 3 310.401 2.046 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)Oc2ccccc2F)CC1 ZINC001223284856 802778306 /nfs/dbraw/zinc/77/83/06/802778306.db2.gz FLIMSRZOLMHTLF-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(OC)cc2C)CC1 ZINC001223327938 802782239 /nfs/dbraw/zinc/78/22/39/802782239.db2.gz LHVSPKZVHREDIL-UHFFFAOYSA-N 0 3 314.429 2.008 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)C(F)(F)F)C[C@@H]21 ZINC001223416564 802788327 /nfs/dbraw/zinc/78/83/27/802788327.db2.gz YGWWVGZCTYURKL-XQQFMLRXSA-N 0 3 302.340 2.131 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001224245931 802851269 /nfs/dbraw/zinc/85/12/69/802851269.db2.gz LYSRWOZELVRUQN-CABCVRRESA-N 0 3 313.873 2.002 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC001224546965 802880157 /nfs/dbraw/zinc/88/01/57/802880157.db2.gz UNFQFSVPGBIOJK-HNNXBMFYSA-N 0 3 316.420 2.466 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC001225286753 802951066 /nfs/dbraw/zinc/95/10/66/802951066.db2.gz ZQOQOVHTGKCLRM-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(CC)CC ZINC001225307548 802953641 /nfs/dbraw/zinc/95/36/41/802953641.db2.gz KRWGIKVPGKVPOY-HZPDHXFCSA-N 0 3 323.481 2.274 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC001225542154 802979788 /nfs/dbraw/zinc/97/97/88/802979788.db2.gz IPVNCAKWGYIQRQ-KRWDZBQOSA-N 0 3 302.393 2.029 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)/C=C\c2ccco2)CC1 ZINC001225866094 803021859 /nfs/dbraw/zinc/02/18/59/803021859.db2.gz BLULXAWBFSUQRS-WAYWQWQTSA-N 0 3 304.390 2.076 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](OC)C1CC1 ZINC001225993668 803039282 /nfs/dbraw/zinc/03/92/82/803039282.db2.gz DJSKKIYRFKPYCP-MCIONIFRSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(C)CCC(=O)NC1CCN(CCn2nc(C)cc2C)CC1 ZINC001227596923 803257541 /nfs/dbraw/zinc/25/75/41/803257541.db2.gz NQRYBHUJRBPENF-UHFFFAOYSA-N 0 3 318.465 2.437 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001227967666 803300544 /nfs/dbraw/zinc/30/05/44/803300544.db2.gz RJCMHRITINXOKJ-HUUCEWRRSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CCC(C)(F)F)CC1 ZINC001228039314 803311581 /nfs/dbraw/zinc/31/15/81/803311581.db2.gz GKEKPCCPXCNKQS-UHFFFAOYSA-N 0 3 304.381 2.205 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)CC(F)F)CC1 ZINC001228348991 803348915 /nfs/dbraw/zinc/34/89/15/803348915.db2.gz ARKPYHNWTJQFHR-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2CC3(CCC3)C2)CC1 ZINC001228717764 803401379 /nfs/dbraw/zinc/40/13/79/803401379.db2.gz IYMHNDPUCZNMAC-UHFFFAOYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCCC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC001328018473 1148700906 /nfs/dbraw/zinc/70/09/06/1148700906.db2.gz UGPMGDWFWSVDAU-UHFFFAOYSA-N 0 3 308.451 2.365 20 30 DEEDHN CN(CCO)c1ccc(C=NN[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC001331362190 1149428410 /nfs/dbraw/zinc/42/84/10/1149428410.db2.gz BIPFAGKZHGOTAS-MRXNPFEDSA-N 0 3 319.449 2.385 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COC/C=C\c1ccccc1 ZINC001331488056 1149477814 /nfs/dbraw/zinc/47/78/14/1149477814.db2.gz IPNGNXJLWSUIKW-GKUQOKNUSA-N 0 3 314.429 2.176 20 30 DEEDHN Cc1ccc(C)c(OC[C@H](O)CNCC#C[C@@H]2CCCCO2)c1 ZINC001335485611 1150432353 /nfs/dbraw/zinc/43/23/53/1150432353.db2.gz MYMNZPDNINBRTQ-MSOLQXFVSA-N 0 3 317.429 2.205 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COc1c(C)cc(C)cc1C ZINC001331629141 1149563207 /nfs/dbraw/zinc/56/32/07/1149563207.db2.gz QDYNUDXIJQUQLL-KRWDZBQOSA-N 0 3 316.445 2.450 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCc2ccc(F)cc21 ZINC001331725993 1149638264 /nfs/dbraw/zinc/63/82/64/1149638264.db2.gz RDIFEGWWRFZTQQ-DOTOQJQBSA-N 0 3 320.408 2.236 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCc2cc(Br)ccc2C1 ZINC001574962618 1069310539 /nfs/dbraw/zinc/31/05/39/1069310539.db2.gz NBRCNGKINWVAHY-AWEZNQCLSA-N 0 3 321.218 2.075 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001343966428 1150788864 /nfs/dbraw/zinc/78/88/64/1150788864.db2.gz LJMYXKDFQFNTGS-GJZGRUSLSA-N 0 3 316.453 2.402 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2c(C)nsc2C)[C@H]1C ZINC001331867839 1149738680 /nfs/dbraw/zinc/73/86/80/1149738680.db2.gz BZAJOBBOAJBKOC-DOMZBBRYSA-N 0 3 323.462 2.042 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC001346429770 1150985564 /nfs/dbraw/zinc/98/55/64/1150985564.db2.gz DRYAENZDOLDGOO-LBPRGKRZSA-N 0 3 315.295 2.223 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccsc2C(=O)OC)CC1 ZINC001346460311 1150991407 /nfs/dbraw/zinc/99/14/07/1150991407.db2.gz OUNHOZZOXOIBSC-UHFFFAOYSA-N 0 3 322.430 2.305 20 30 DEEDHN C[C@H]1[C@H](NCc2cncs2)CCN1C(=O)C#CC(C)(C)C ZINC001331885990 1149751655 /nfs/dbraw/zinc/75/16/55/1149751655.db2.gz HASMVQRJKIQAGA-GXTWGEPZSA-N 0 3 305.447 2.272 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)/C(C)=C\C)CC1 ZINC001328499517 1148802649 /nfs/dbraw/zinc/80/26/49/1148802649.db2.gz FRNUKWJQHMSSMW-ZWSORDCHSA-N 0 3 307.482 2.433 20 30 DEEDHN C=C(C)C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C(=O)[O-] ZINC001602755463 1069744944 /nfs/dbraw/zinc/74/49/44/1069744944.db2.gz VCPQIOZFBRMCMS-CKDBGZEDSA-N 0 3 310.438 2.029 20 30 DEEDHN C=C[C@@H](C(=O)NCCCCN1CCN(C)CC1)c1ccccc1 ZINC001527444148 1070481059 /nfs/dbraw/zinc/48/10/59/1070481059.db2.gz ZWHRDNXGAGIMIM-GOSISDBHSA-N 0 3 315.461 2.100 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]2[C@@H]2CCCOC2)CC1 ZINC001527461714 1070485212 /nfs/dbraw/zinc/48/52/12/1070485212.db2.gz RSGNIFWNPBPMDW-WBVHZDCISA-N 0 3 321.465 2.237 20 30 DEEDHN C=C(CC)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC001527625647 1070516692 /nfs/dbraw/zinc/51/66/92/1070516692.db2.gz KOEGTOPPSQBYHP-UHFFFAOYSA-N 0 3 303.362 2.061 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1C=CC=CC=C1 ZINC001328737423 1148829970 /nfs/dbraw/zinc/82/99/70/1148829970.db2.gz NDTWNLHCAQTNQX-GOSISDBHSA-N 0 3 316.445 2.410 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CCC)C(=O)CN(C)C(C)C)C1 ZINC001529658727 1070999453 /nfs/dbraw/zinc/99/94/53/1070999453.db2.gz YOUKBHHUIYGGLA-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001530275286 1071190545 /nfs/dbraw/zinc/19/05/45/1071190545.db2.gz FFFNWOWTZNGRQX-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001531199837 1071456498 /nfs/dbraw/zinc/45/64/98/1071456498.db2.gz CNXITBOADIDSLF-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN Cc1noc([C@@H]2CCCN(C[C@H](O)c3cccc(C#N)c3)C2)n1 ZINC001459345525 1058150558 /nfs/dbraw/zinc/15/05/58/1058150558.db2.gz FBKGTXKZOKAIBZ-CVEARBPZSA-N 0 3 312.373 2.163 20 30 DEEDHN O=C(C(F)F)N1CCC[C@@H]1CNCC#Cc1ccc(F)cc1 ZINC001499861156 1058331513 /nfs/dbraw/zinc/33/15/13/1058331513.db2.gz GKONPGVTNKKAKG-CQSZACIVSA-N 0 3 310.319 2.023 20 30 DEEDHN C#CCN(C(=O)CC)C1CCN(CCc2scnc2C)CC1 ZINC001500019487 1058434555 /nfs/dbraw/zinc/43/45/55/1058434555.db2.gz BGSUNCPXDMCIQK-UHFFFAOYSA-N 0 3 319.474 2.330 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1cncs1)C1CCCC1 ZINC001500076668 1058472333 /nfs/dbraw/zinc/47/23/33/1058472333.db2.gz JLTSJQOUHFGRGT-BXUZGUMPSA-N 0 3 306.435 2.067 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001500530560 1058900569 /nfs/dbraw/zinc/90/05/69/1058900569.db2.gz WFGSQSKRRZAUMO-MRXNPFEDSA-N 0 3 324.856 2.400 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001500619916 1058970517 /nfs/dbraw/zinc/97/05/17/1058970517.db2.gz DGLDHJDUJYBPON-CYBMUJFWSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001500689792 1059012564 /nfs/dbraw/zinc/01/25/64/1059012564.db2.gz QOSNJKPTHKKPKG-QGZVFWFLSA-N 0 3 324.371 2.016 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](CC)OCC)C2)CC1 ZINC001501016631 1059204934 /nfs/dbraw/zinc/20/49/34/1059204934.db2.gz YVADHLRDYQUYRJ-MSOLQXFVSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2csnc2OC)C1 ZINC001501033961 1059222862 /nfs/dbraw/zinc/22/28/62/1059222862.db2.gz RBYICRZQVSWGNW-CHWSQXEVSA-N 0 3 323.462 2.445 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001501292900 1059433301 /nfs/dbraw/zinc/43/33/01/1059433301.db2.gz GMXLCEODFVSVHT-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1C ZINC001501374739 1059475153 /nfs/dbraw/zinc/47/51/53/1059475153.db2.gz VWBPXGAYCIQHPB-SJORKVTESA-N 0 3 318.417 2.470 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](CCN[C@H](C)c2cnccn2)C1 ZINC001501565380 1059548738 /nfs/dbraw/zinc/54/87/38/1059548738.db2.gz HYFONKJJTBJWEJ-HZPDHXFCSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2CCOCC2)cc1 ZINC001501670785 1059625072 /nfs/dbraw/zinc/62/50/72/1059625072.db2.gz PKZPPZJHTQXGID-AWEZNQCLSA-N 0 3 300.402 2.013 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C3(CCOC)CCC3)C2)CC1 ZINC001501746432 1059680515 /nfs/dbraw/zinc/68/05/15/1059680515.db2.gz JBNSRULURFMCRH-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CC(C)(C)C2CCCCC2)CCO1 ZINC001502087894 1059918790 /nfs/dbraw/zinc/91/87/90/1059918790.db2.gz UNZKTFXLNKEXHU-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1CCCN(CC#CC)CC1)OCC ZINC001502124035 1059964339 /nfs/dbraw/zinc/96/43/39/1059964339.db2.gz JKEBSSPYPOTPIU-IRXDYDNUSA-N 0 3 306.450 2.352 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001502132617 1059979769 /nfs/dbraw/zinc/97/97/69/1059979769.db2.gz WHORVOUGHVLIGW-IAGOWNOFSA-N 0 3 306.450 2.209 20 30 DEEDHN CCCCC(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001502537867 1060171051 /nfs/dbraw/zinc/17/10/51/1060171051.db2.gz CBWHYLKPNMLOJE-GOSISDBHSA-N 0 3 306.450 2.141 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)/C(C)=C\CC)CC1 ZINC001502856656 1060359451 /nfs/dbraw/zinc/35/94/51/1060359451.db2.gz OXMWNKLAKBTPLR-XGICHPGQSA-N 0 3 300.830 2.038 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccsc2)C[C@@H]1C ZINC001503004051 1060419175 /nfs/dbraw/zinc/41/91/75/1060419175.db2.gz VNHQHLFDWPIBAU-KBPBESRZSA-N 0 3 306.431 2.119 20 30 DEEDHN C=CCOCCCC(=O)N1CCC2(CC1)CN(C(C)C)CCO2 ZINC001503723063 1060464672 /nfs/dbraw/zinc/46/46/72/1060464672.db2.gz COJKIMVTYZGBTI-UHFFFAOYSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)n2cccn2)C1 ZINC001505528767 1060680325 /nfs/dbraw/zinc/68/03/25/1060680325.db2.gz QFJNLTGEGPSNDT-IYXRBSQSSA-N 0 3 310.829 2.071 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@H](C)NC(=O)C(F)F ZINC001505540767 1060689331 /nfs/dbraw/zinc/68/93/31/1060689331.db2.gz HIICPABAWMRASM-MNOVXSKESA-N 0 3 314.763 2.439 20 30 DEEDHN COCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001505565899 1060718668 /nfs/dbraw/zinc/71/86/68/1060718668.db2.gz MTDJUKSIWNADJX-GJZGRUSLSA-N 0 3 320.408 2.087 20 30 DEEDHN C#CCOCCN1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001473758025 1060721224 /nfs/dbraw/zinc/72/12/24/1060721224.db2.gz KXIWPWGHUVVJCZ-OAHLLOKOSA-N 0 3 310.438 2.358 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](c2cnccn2)C1 ZINC001473833236 1060736124 /nfs/dbraw/zinc/73/61/24/1060736124.db2.gz JMNWKDPBOLFRMK-HNNXBMFYSA-N 0 3 321.384 2.166 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001505601775 1060765396 /nfs/dbraw/zinc/76/53/96/1060765396.db2.gz AKRXBSDZUVRGRG-OLZOCXBDSA-N 0 3 307.825 2.377 20 30 DEEDHN CNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C#N)c(C)c1 ZINC001474112212 1060819335 /nfs/dbraw/zinc/81/93/35/1060819335.db2.gz WWJJIVPRXRRAKP-SFHVURJKSA-N 0 3 307.397 2.314 20 30 DEEDHN C#CCC[C@H](O)CNCc1cccc(Br)c1OC ZINC001474253727 1060837579 /nfs/dbraw/zinc/83/75/79/1060837579.db2.gz NWYKUZZRYGROSK-LBPRGKRZSA-N 0 3 312.207 2.322 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN1C(=O)C(C)(C)N(C)CC ZINC001505838295 1061022313 /nfs/dbraw/zinc/02/23/13/1061022313.db2.gz YJZZPPSDVZTDAB-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](CNC(=O)COC(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001505901082 1061110519 /nfs/dbraw/zinc/11/05/19/1061110519.db2.gz DLEQFFZOKWLNNF-AWEZNQCLSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001505902822 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C=C(Cl)CN1CCC2(C[C@H]2NC(=O)CCc2cnc[nH]2)CC1 ZINC001479982280 1062141743 /nfs/dbraw/zinc/14/17/43/1062141743.db2.gz VOHMHYYFPRTMDA-CQSZACIVSA-N 0 3 322.840 2.066 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)C2CN(CCCO)C2)CCCCC1 ZINC001506682074 1062276307 /nfs/dbraw/zinc/27/63/07/1062276307.db2.gz ZHPNSVDBXDIUSB-OAHLLOKOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCc2cnn(CC)c2)CC1(C)C ZINC001506730720 1062321010 /nfs/dbraw/zinc/32/10/10/1062321010.db2.gz QEZYKEIRFBRRFH-MRXNPFEDSA-N 0 3 318.465 2.238 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001480098080 1062321677 /nfs/dbraw/zinc/32/16/77/1062321677.db2.gz KMPNARXKDKUXJH-BBWFWOEESA-N 0 3 306.450 2.443 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001480136338 1062372347 /nfs/dbraw/zinc/37/23/47/1062372347.db2.gz FSCYACMMZSLXPG-MPGHIAIKSA-N 0 3 320.408 2.198 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)Cc3cccc(C)c3)[C@@H]2C1 ZINC001506818567 1062408806 /nfs/dbraw/zinc/40/88/06/1062408806.db2.gz FQDLNYZHRJYCTB-LWYYNNOASA-N 0 3 324.468 2.491 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2cc(OC)no2)C1 ZINC001506882127 1062465175 /nfs/dbraw/zinc/46/51/75/1062465175.db2.gz CYXGMOZRIJONML-JOCQHMNTSA-N 0 3 307.394 2.024 20 30 DEEDHN COc1ccc(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)o1 ZINC001480228543 1062491954 /nfs/dbraw/zinc/49/19/54/1062491954.db2.gz HBEOHHGRANMUQZ-IYBDPMFKSA-N 0 3 324.380 2.190 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001480256855 1062541161 /nfs/dbraw/zinc/54/11/61/1062541161.db2.gz GVYMSVBYRSMKSM-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001480271878 1062574281 /nfs/dbraw/zinc/57/42/81/1062574281.db2.gz MZKQFXVMCJBCLA-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)C(C)(C)F ZINC001506995153 1062649079 /nfs/dbraw/zinc/64/90/79/1062649079.db2.gz DDFWNQKRAPYPLD-NSHDSACASA-N 0 3 321.234 2.470 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cccn1C)NCC#Cc1ccccc1 ZINC001507049098 1062734023 /nfs/dbraw/zinc/73/40/23/1062734023.db2.gz SXKIFPIJNIMUAX-INIZCTEOSA-N 0 3 309.413 2.127 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)COC2CCCCC2)C1 ZINC001480382423 1062757059 /nfs/dbraw/zinc/75/70/59/1062757059.db2.gz KTVHXIRUOVAMQJ-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)COC2CCCCC2)C1 ZINC001480382425 1062758254 /nfs/dbraw/zinc/75/82/54/1062758254.db2.gz KTVHXIRUOVAMQJ-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)CN(C)C(=O)/C(C)=C\C ZINC001507062932 1062762802 /nfs/dbraw/zinc/76/28/02/1062762802.db2.gz UBRZNLFKYOZFIP-BRAFPAACSA-N 0 3 323.481 2.202 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCC(=O)N1CCCC[C@@H]1C ZINC001507080647 1062798040 /nfs/dbraw/zinc/79/80/40/1062798040.db2.gz GUNQKWATJOJMDL-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)N[C@@H](C)c1cccc(C)c1 ZINC001507223273 1062980513 /nfs/dbraw/zinc/98/05/13/1062980513.db2.gz WWOGTXJGKFPCSP-HOCLYGCPSA-N 0 3 304.434 2.335 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001507292216 1063044525 /nfs/dbraw/zinc/04/45/25/1063044525.db2.gz ZILLAONZYIVAKJ-XJKSGUPXSA-N 0 3 302.422 2.220 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(Cl)cn2CC)C1 ZINC001507332207 1063107120 /nfs/dbraw/zinc/10/71/20/1063107120.db2.gz UFRRBFSHUQWIHS-GXTWGEPZSA-N 0 3 307.825 2.377 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2csc(-c3ccco3)n2)C1 ZINC001480619610 1063110541 /nfs/dbraw/zinc/11/05/41/1063110541.db2.gz HZTXBGFDPMQCET-LBPRGKRZSA-N 0 3 315.398 2.231 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CN(CC)c2ccccc2)C1 ZINC001507337995 1063117482 /nfs/dbraw/zinc/11/74/82/1063117482.db2.gz GOMSNTHPWWLQEP-DLBZAZTESA-N 0 3 313.445 2.115 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001507365166 1063158735 /nfs/dbraw/zinc/15/87/35/1063158735.db2.gz CQZIQEDMVSDYOC-WBVHZDCISA-N 0 3 302.418 2.358 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001480694154 1063199513 /nfs/dbraw/zinc/19/95/13/1063199513.db2.gz ZJFFXNQHNVMVSE-KGLIPLIRSA-N 0 3 305.447 2.320 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001507396296 1063222722 /nfs/dbraw/zinc/22/27/22/1063222722.db2.gz NLCXVCIRQDXYRQ-ZIAGYGMSSA-N 0 3 320.462 2.106 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNCc2cc3n(n2)CCC3)C1 ZINC001507394891 1063224622 /nfs/dbraw/zinc/22/46/22/1063224622.db2.gz ZMSQZMIFARDCFB-LSDHHAIUSA-N 0 3 316.449 2.170 20 30 DEEDHN CCc1nocc1CN[C@H](C)CCNC(=O)C#CC(C)(C)C ZINC001480764440 1063316180 /nfs/dbraw/zinc/31/61/80/1063316180.db2.gz MCNYBISBMNPCPD-CYBMUJFWSA-N 0 3 305.422 2.271 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1cc(OC)no1 ZINC001480784107 1063338444 /nfs/dbraw/zinc/33/84/44/1063338444.db2.gz RITZHXSMLRMTOB-GFCCVEGCSA-N 0 3 309.410 2.270 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2n[nH]c(C)n2)C(C)(C)C)C1 ZINC001508026207 1063502125 /nfs/dbraw/zinc/50/21/25/1063502125.db2.gz VLRHZKGPZNHAMK-ZDUSSCGKSA-N 0 3 319.453 2.090 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001493235993 1063659109 /nfs/dbraw/zinc/65/91/09/1063659109.db2.gz IUVNUHHCNYKIFN-HZPDHXFCSA-N 0 3 316.420 2.466 20 30 DEEDHN CC#CCCCC(=O)NCCN(C[C@H]1CC[C@H](C)O1)C1CC1 ZINC001493400580 1063773538 /nfs/dbraw/zinc/77/35/38/1063773538.db2.gz BWSOKAVSWUTWSZ-DOTOQJQBSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001508610337 1063778255 /nfs/dbraw/zinc/77/82/55/1063778255.db2.gz XOUCFJBHFVWUIS-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC001493419202 1063784656 /nfs/dbraw/zinc/78/46/56/1063784656.db2.gz XTYGVJMZQKPZDY-UHFFFAOYSA-N 0 3 314.389 2.039 20 30 DEEDHN CSC[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493498635 1063833475 /nfs/dbraw/zinc/83/34/75/1063833475.db2.gz TUKOZSGJCGBJOQ-LLVKDONJSA-N 0 3 311.476 2.167 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCCOc1ccccc1F ZINC001493802845 1063968252 /nfs/dbraw/zinc/96/82/52/1063968252.db2.gz CNUYERHSGINODY-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN C=CCN[C@@H](CNC(=O)C1(COC)CCC1)c1ccccc1 ZINC001493893361 1064013997 /nfs/dbraw/zinc/01/39/97/1064013997.db2.gz SSMWEOLNCCYKHD-INIZCTEOSA-N 0 3 302.418 2.436 20 30 DEEDHN CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN([C@@H](C)COC)C1 ZINC001493952478 1064034051 /nfs/dbraw/zinc/03/40/51/1064034051.db2.gz TXVZEOANTZIHMC-JKSUJKDBSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1occc1Br ZINC001567349366 1064153770 /nfs/dbraw/zinc/15/37/70/1064153770.db2.gz ZMNQCBAQISPPFX-UHFFFAOYSA-N 0 3 301.184 2.280 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cn1ccc2ccccc21 ZINC001567432565 1064196117 /nfs/dbraw/zinc/19/61/17/1064196117.db2.gz HHIVMDMWUWKHKW-UHFFFAOYSA-N 0 3 311.429 2.493 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1occc1Br ZINC001567434403 1064197194 /nfs/dbraw/zinc/19/71/94/1064197194.db2.gz AGDLUXMQYZWVJA-UHFFFAOYSA-N 0 3 313.195 2.117 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)COC(C)(C)C)c1ccccc1 ZINC001567657617 1064322103 /nfs/dbraw/zinc/32/21/03/1064322103.db2.gz OQFZFXXZBIAPGZ-INIZCTEOSA-N 0 3 302.418 2.272 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC001567693988 1064352612 /nfs/dbraw/zinc/35/26/12/1064352612.db2.gz BPHLWJQKBHSYGB-HUUCEWRRSA-N 0 3 302.422 2.332 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC001567832796 1064449052 /nfs/dbraw/zinc/44/90/52/1064449052.db2.gz XHWLFAVOORYACK-UHFFFAOYSA-N 0 3 310.441 2.471 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001494753156 1064451382 /nfs/dbraw/zinc/45/13/82/1064451382.db2.gz ZBDIHACSLAZZRZ-IEBWSBKVSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001494792295 1064466624 /nfs/dbraw/zinc/46/66/24/1064466624.db2.gz ZIIZHAQGDMLAMM-AEFFLSMTSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001494868006 1064530294 /nfs/dbraw/zinc/53/02/94/1064530294.db2.gz LAEJOEMMEQTFSF-GOEBONIOSA-N 0 3 318.392 2.149 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(OC)cc2)C1 ZINC001567927763 1064532817 /nfs/dbraw/zinc/53/28/17/1064532817.db2.gz UTWHDPLIKCQFMQ-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001494905872 1064562635 /nfs/dbraw/zinc/56/26/35/1064562635.db2.gz RVRLWDWSGQXUDC-KGLIPLIRSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CC)NCc1cccc2c1OCCO2 ZINC001494950384 1064604593 /nfs/dbraw/zinc/60/45/93/1064604593.db2.gz NIEBVLCWSRCAPV-OAHLLOKOSA-N 0 3 318.417 2.408 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CCNCc2cnns2)C1 ZINC001568054968 1064621431 /nfs/dbraw/zinc/62/14/31/1064621431.db2.gz NRAIQAIESRZYTM-AWEZNQCLSA-N 0 3 320.462 2.060 20 30 DEEDHN CC#CC[NH+]1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001568123602 1064659072 /nfs/dbraw/zinc/65/90/72/1064659072.db2.gz DLZHNBGABKZCEH-UHFFFAOYSA-N 0 3 300.402 2.247 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001568128921 1064661003 /nfs/dbraw/zinc/66/10/03/1064661003.db2.gz NEUQXYNAOYEGJN-LJQANCHMSA-N 0 3 318.461 2.211 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)CN[C@@H](C)c2cnccn2)C1 ZINC001568194215 1064695241 /nfs/dbraw/zinc/69/52/41/1064695241.db2.gz TVMQMAKWALPHDT-KGLIPLIRSA-N 0 3 302.422 2.236 20 30 DEEDHN C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C#CC1CC1 ZINC001568271872 1064743714 /nfs/dbraw/zinc/74/37/14/1064743714.db2.gz SUGBUXFXKMVJKI-LBPRGKRZSA-N 0 3 305.809 2.085 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1ccc(C)cc1C ZINC001568316520 1064772254 /nfs/dbraw/zinc/77/22/54/1064772254.db2.gz ROHZBZVZLURVRA-MRXNPFEDSA-N 0 3 302.418 2.003 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)[C@@]1(C)C=CCC1 ZINC001568334796 1064785798 /nfs/dbraw/zinc/78/57/98/1064785798.db2.gz QRHFASZEKYCZCV-AEFFLSMTSA-N 0 3 306.450 2.113 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)NC(C)C ZINC001568427891 1064862591 /nfs/dbraw/zinc/86/25/91/1064862591.db2.gz AGBZUTKBQQVDRS-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001495373250 1064866802 /nfs/dbraw/zinc/86/68/02/1064866802.db2.gz VRCMKVAGLXQOQO-CQSZACIVSA-N 0 3 314.857 2.384 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN(C)C[C@H](O)CC(F)(F)F ZINC001568484004 1064903969 /nfs/dbraw/zinc/90/39/69/1064903969.db2.gz GGFVHEQGXVETQS-GFCCVEGCSA-N 0 3 310.360 2.046 20 30 DEEDHN CCc1onc(C)c1CN[C@@H](CNC(=O)C#CC(C)C)C(C)C ZINC001568449710 1064880557 /nfs/dbraw/zinc/88/05/57/1064880557.db2.gz TWUGWAUCMQZXIR-INIZCTEOSA-N 0 3 319.449 2.435 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001568506490 1064919018 /nfs/dbraw/zinc/91/90/18/1064919018.db2.gz OIOQEJYZBBPHBK-GOSISDBHSA-N 0 3 314.429 2.020 20 30 DEEDHN Cc1ncoc1CN1CCC(CCNC(=O)C#CC2CC2)CC1 ZINC001495516785 1064959414 /nfs/dbraw/zinc/95/94/14/1064959414.db2.gz GNIDFRHFOLXXPR-UHFFFAOYSA-N 0 3 315.417 2.115 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(cc1OC)OCO2 ZINC001568551719 1064959371 /nfs/dbraw/zinc/95/93/71/1064959371.db2.gz PXOCZZHKNDITSE-UHFFFAOYSA-N 0 3 320.389 2.004 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](O)CN[C@@H](C)c1ccccc1Cl ZINC001568558540 1064964254 /nfs/dbraw/zinc/96/42/54/1064964254.db2.gz SOZZTZKECOCVOT-UONOGXRCSA-N 0 3 322.836 2.127 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CCn1nc(C)cc1C ZINC001568661077 1065027933 /nfs/dbraw/zinc/02/79/33/1065027933.db2.gz AAKGMPUGNHINKC-GFCCVEGCSA-N 0 3 312.845 2.127 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)n1cnc2ccccc21 ZINC001568789121 1065118839 /nfs/dbraw/zinc/11/88/39/1065118839.db2.gz JWEKURLPTKGKIO-HNNXBMFYSA-N 0 3 312.417 2.059 20 30 DEEDHN N#CCSCC(=O)NC/C=C\CNCc1cccc(Cl)c1 ZINC001568816872 1065135517 /nfs/dbraw/zinc/13/55/17/1065135517.db2.gz BCQKIGGAWIYEGF-UPHRSURJSA-N 0 3 323.849 2.359 20 30 DEEDHN C=CCCC(=O)NC/C=C\CNCc1ccc(F)c(C#N)c1 ZINC001568826192 1065142050 /nfs/dbraw/zinc/14/20/50/1065142050.db2.gz WZCOAJPEWCLBHH-PLNGDYQASA-N 0 3 301.365 2.426 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001568842712 1065151203 /nfs/dbraw/zinc/15/12/03/1065151203.db2.gz BZADMBBGORGFQA-DUMMIQTOSA-N 0 3 320.408 2.223 20 30 DEEDHN C#CCCCC(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001568841248 1065152005 /nfs/dbraw/zinc/15/20/05/1065152005.db2.gz CWTUOCNVUVQVGW-AATRIKPKSA-N 0 3 313.376 2.263 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001568860107 1065162514 /nfs/dbraw/zinc/16/25/14/1065162514.db2.gz HTGYFVWEOPFFSU-KTKRTIGZSA-N 0 3 316.449 2.154 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC001568984703 1065226873 /nfs/dbraw/zinc/22/68/73/1065226873.db2.gz XRHRFORNYTZRAF-CABCVRRESA-N 0 3 317.433 2.383 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001569079963 1065274448 /nfs/dbraw/zinc/27/44/48/1065274448.db2.gz UEUXLKPNQKKUOR-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnc[n-]c1=O ZINC001569166485 1065334594 /nfs/dbraw/zinc/33/45/94/1065334594.db2.gz UOMYCJZGGBKLEB-HIFRSBDPSA-N 0 3 318.421 2.027 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1cccc(C)c1C ZINC001496223297 1065347738 /nfs/dbraw/zinc/34/77/38/1065347738.db2.gz 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/nfs/dbraw/zinc/52/94/92/1065529492.db2.gz UHJXGORAWMZWIH-KRWDZBQOSA-N 0 3 302.393 2.318 20 30 DEEDHN C=C(C)CCN1CC(N(C)C(=O)CCCn2ccnc2C)C1 ZINC001569502857 1065549318 /nfs/dbraw/zinc/54/93/18/1065549318.db2.gz SIEREFLXCQMOFW-UHFFFAOYSA-N 0 3 304.438 2.081 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cscn1)C(C)C ZINC001496615353 1065594066 /nfs/dbraw/zinc/59/40/66/1065594066.db2.gz IJABQOUDLGGLDI-GFCCVEGCSA-N 0 3 301.843 2.169 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)Cc2ccc(CC)cn2)CC1 ZINC001569576565 1065603367 /nfs/dbraw/zinc/60/33/67/1065603367.db2.gz SWNWLXVWDUFNMK-UHFFFAOYSA-N 0 3 301.434 2.343 20 30 DEEDHN C=CCCC(=O)N[C@]1(C)CCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC001569632006 1065634038 /nfs/dbraw/zinc/63/40/38/1065634038.db2.gz KXONMONKQCBJPK-FUHWJXTLSA-N 0 3 320.408 2.406 20 30 DEEDHN CC(C)C#CC(=O)N[C@]1(C)CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001569637182 1065637456 /nfs/dbraw/zinc/63/74/56/1065637456.db2.gz GYRZNKNHUYKFKB-MAUKXSAKSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2ccsc2C)C1 ZINC001569637020 1065637996 /nfs/dbraw/zinc/63/79/96/1065637996.db2.gz FGJURMAEZGALJS-MRXNPFEDSA-N 0 3 308.447 2.453 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@](C)(CNCc2cc(C)n(C)n2)C1 ZINC001569682560 1065670782 /nfs/dbraw/zinc/67/07/82/1065670782.db2.gz ZWMVUYLANNDJAL-SFHVURJKSA-N 0 3 318.465 2.413 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ncn2ccc(C)cc12 ZINC001496734950 1065679830 /nfs/dbraw/zinc/67/98/30/1065679830.db2.gz XQGRGMBVOBWFMD-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2COc3ccccc32)CC1 ZINC001569709722 1065683265 /nfs/dbraw/zinc/68/32/65/1065683265.db2.gz ZEKFBBCYQZPEHU-INIZCTEOSA-N 0 3 312.413 2.014 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001496748857 1065686969 /nfs/dbraw/zinc/68/69/69/1065686969.db2.gz UDGOMKGLISXOOU-ZWKOTPCHSA-N 0 3 315.461 2.432 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001569715738 1065687268 /nfs/dbraw/zinc/68/72/68/1065687268.db2.gz QCZGGDGQKUERDY-HNNXBMFYSA-N 0 3 310.829 2.389 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccncc2C)C1 ZINC001569715682 1065688341 /nfs/dbraw/zinc/68/83/41/1065688341.db2.gz PRYUTILBHZUWIL-SFHVURJKSA-N 0 3 301.434 2.337 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CN(CCCOC)CCC1(F)F ZINC001569739119 1065700055 /nfs/dbraw/zinc/70/00/55/1065700055.db2.gz OYIPDQBUIJTMAV-AWEZNQCLSA-N 0 3 318.408 2.453 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001569761389 1065709585 /nfs/dbraw/zinc/70/95/85/1065709585.db2.gz KZBJEYHVMCWYLS-RDJZCZTQSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001569761390 1065709830 /nfs/dbraw/zinc/70/98/30/1065709830.db2.gz KZBJEYHVMCWYLS-WBVHZDCISA-N 0 3 312.429 2.034 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001569869551 1065778746 /nfs/dbraw/zinc/77/87/46/1065778746.db2.gz XBBCXMYQRVTJDG-WMZOPIPTSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC)nc1Cl ZINC001626755041 1078261982 /nfs/dbraw/zinc/26/19/82/1078261982.db2.gz QBZYFKBEQAITOU-UHFFFAOYSA-N 0 3 311.813 2.324 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001570026799 1065888465 /nfs/dbraw/zinc/88/84/65/1065888465.db2.gz KMFIDWBUNITDJJ-QAPCUYQASA-N 0 3 314.429 2.183 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cc(C)n[nH]1 ZINC001570025432 1065889673 /nfs/dbraw/zinc/88/96/73/1065889673.db2.gz GKERIYCETJUQNY-UHFFFAOYSA-N 0 3 310.401 2.103 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCCOCC2)cc1 ZINC001570030212 1065891153 /nfs/dbraw/zinc/89/11/53/1065891153.db2.gz PLQVNRDQFCZGPE-YJBOKZPZSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN(C)Cc1ccccc1CNC(=O)CN(C)C(C)C ZINC001570028011 1065892806 /nfs/dbraw/zinc/89/28/06/1065892806.db2.gz GGGJEMASPOSQJJ-UHFFFAOYSA-N 0 3 315.461 2.098 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCc2cnccn2)cc1 ZINC001570032941 1065894198 /nfs/dbraw/zinc/89/41/98/1065894198.db2.gz ICCKQVUNJJLMFU-HNNXBMFYSA-N 0 3 322.412 2.009 20 30 DEEDHN C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)CC1CC1 ZINC001497131003 1065905560 /nfs/dbraw/zinc/90/55/60/1065905560.db2.gz ZUXKTOAFRMOZLG-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1cnc(C)nc1 ZINC001570080333 1065915982 /nfs/dbraw/zinc/91/59/82/1065915982.db2.gz BXBTYLVKSXQNRE-MRXNPFEDSA-N 0 3 302.422 2.222 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccc(C)cc2F)CCC1 ZINC001570118720 1065931410 /nfs/dbraw/zinc/93/14/10/1065931410.db2.gz GHHRDPWKRZECBG-UHFFFAOYSA-N 0 3 318.392 2.026 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2CC(C(C)(C)C)C2)CCC1 ZINC001570127583 1065935075 /nfs/dbraw/zinc/93/50/75/1065935075.db2.gz LRJMUPMWXXLERK-UHFFFAOYSA-N 0 3 320.477 2.337 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](OC)C2CCCCC2)CCC1 ZINC001570129094 1065936200 /nfs/dbraw/zinc/93/62/00/1065936200.db2.gz LCFVQYSFIZDCFL-MRXNPFEDSA-N 0 3 306.450 2.234 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(CC(C)C)CCC2)CCO1 ZINC001570146233 1065942252 /nfs/dbraw/zinc/94/22/52/1065942252.db2.gz QDKUCPKSBNOMLM-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001497193570 1065955168 /nfs/dbraw/zinc/95/51/68/1065955168.db2.gz VDYJCMQVJLWHIE-QWHCGFSZSA-N 0 3 315.421 2.411 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cncc(C(F)(F)F)c1 ZINC001570216308 1065977834 /nfs/dbraw/zinc/97/78/34/1065977834.db2.gz YVHRVTVOQVDRNK-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)nn(CC)c1C ZINC001497289320 1066008685 /nfs/dbraw/zinc/00/86/85/1066008685.db2.gz IAPAKLRXHAIGLW-LLVKDONJSA-N 0 3 312.845 2.370 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](C)[C@H](NCc2cccnc2)C1 ZINC001570336880 1066019700 /nfs/dbraw/zinc/01/97/00/1066019700.db2.gz OMEPMUIAIGBAHZ-DOTOQJQBSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CN(C)c1ccccc1 ZINC001497336559 1066034867 /nfs/dbraw/zinc/03/48/67/1066034867.db2.gz FEQZZKWOJCJQTB-CQSZACIVSA-N 0 3 309.841 2.360 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)C1 ZINC001570403873 1066054758 /nfs/dbraw/zinc/05/47/58/1066054758.db2.gz FAVHMQIAUJPDMH-ROUUACIJSA-N 0 3 319.493 2.073 20 30 DEEDHN C#CCN1CCN(CCCCCNC(=O)/C=C/C(C)(C)C)CC1 ZINC001570482245 1066091118 /nfs/dbraw/zinc/09/11/18/1066091118.db2.gz DXDHYASEQHPXST-MDZDMXLPSA-N 0 3 319.493 2.126 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001497723143 1066264285 /nfs/dbraw/zinc/26/42/85/1066264285.db2.gz QFWXDQZXZUKCTO-NGHLMZTLSA-N 0 3 306.450 2.113 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1ccc(C(F)(F)F)s1 ZINC001497763860 1066295684 /nfs/dbraw/zinc/29/56/84/1066295684.db2.gz GMXKNDKLUXGTOU-ONEGZZNKSA-N 0 3 302.321 2.276 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)Nc1ccccc1C ZINC001498021832 1066464982 /nfs/dbraw/zinc/46/49/82/1066464982.db2.gz ROJPKKMDDFHGRO-LSDHHAIUSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001498323464 1066632575 /nfs/dbraw/zinc/63/25/75/1066632575.db2.gz CKVPRIDUWYWOJN-OCCSQVGLSA-N 0 3 304.438 2.399 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1ccn(C)n1 ZINC001498473893 1066731756 /nfs/dbraw/zinc/73/17/56/1066731756.db2.gz NCZZBQIDGBYKCB-GOEBONIOSA-N 0 3 304.438 2.151 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001577426568 1066840302 /nfs/dbraw/zinc/84/03/02/1066840302.db2.gz RSGYKEMVDHHKFP-IRXDYDNUSA-N 0 3 320.481 2.263 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001498801960 1066899406 /nfs/dbraw/zinc/89/94/06/1066899406.db2.gz KLLRFCDPQDRDLJ-UONOGXRCSA-N 0 3 309.410 2.352 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001634646429 1078434847 /nfs/dbraw/zinc/43/48/47/1078434847.db2.gz NLLMWYWZUBINEK-AWEZNQCLSA-N 0 3 304.438 2.045 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001499013883 1067026362 /nfs/dbraw/zinc/02/63/62/1067026362.db2.gz WVJNIKAFVHJRSD-ZDUSSCGKSA-N 0 3 302.422 2.059 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cn1nc(C)c(Cl)c1C ZINC001635753153 1078457713 /nfs/dbraw/zinc/45/77/13/1078457713.db2.gz JSWZVVHYWAPXEA-UHFFFAOYSA-N 0 3 312.845 2.120 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001635753245 1078457834 /nfs/dbraw/zinc/45/78/34/1078457834.db2.gz NOWDTKGATREBEL-UHFFFAOYSA-N 0 3 315.417 2.151 20 30 DEEDHN CN(C(=O)[C@H](N)CCCCC#N)c1cccnc1N1CCCC1 ZINC001578367995 1067069898 /nfs/dbraw/zinc/06/98/98/1067069898.db2.gz FGQTVTSEOGGFBI-CQSZACIVSA-N 0 3 315.421 2.056 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1(NCc2ccc(CC)cc2)CC1 ZINC001499225501 1067148807 /nfs/dbraw/zinc/14/88/07/1067148807.db2.gz DIEGZZGAFWUMHC-OAHLLOKOSA-N 0 3 314.429 2.026 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(OC)c(C2CC2)c1 ZINC001266985015 1078481018 /nfs/dbraw/zinc/48/10/18/1078481018.db2.gz ZTQUPKBANMGBQS-ZDUSSCGKSA-N 0 3 300.402 2.304 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)NC(=O)CN(C)CCC)CC1 ZINC001499341095 1067188979 /nfs/dbraw/zinc/18/89/79/1067188979.db2.gz RMJBGZABYOXBDE-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN COC[C@]1(C(=O)Nc2ccc(CCC#N)cc2)CCCCN1 ZINC001578977824 1067214517 /nfs/dbraw/zinc/21/45/17/1067214517.db2.gz IPQVDXYEGRGYAK-KRWDZBQOSA-N 0 3 301.390 2.240 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CCC(C)C ZINC001579033643 1067223851 /nfs/dbraw/zinc/22/38/51/1067223851.db2.gz YLBGQLVHIMNAAF-KRWDZBQOSA-N 0 3 317.433 2.297 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)COCCC)C1 ZINC001499480939 1067234500 /nfs/dbraw/zinc/23/45/00/1067234500.db2.gz KJSLAAOCDWGJFF-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001499538643 1067250465 /nfs/dbraw/zinc/25/04/65/1067250465.db2.gz IVNPCXQXYNRNKI-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@H](NC[C@@H](F)CC)C2)cc1 ZINC001267020848 1078507352 /nfs/dbraw/zinc/50/73/52/1078507352.db2.gz NEVGEXYYASJWKG-HOTGVXAUSA-N 0 3 318.392 2.251 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@H](NC[C@H](F)CC)C2)cc1 ZINC001267020847 1078507428 /nfs/dbraw/zinc/50/74/28/1078507428.db2.gz NEVGEXYYASJWKG-CVEARBPZSA-N 0 3 318.392 2.251 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1[N+](=O)[O-] ZINC001579405616 1067330034 /nfs/dbraw/zinc/33/00/34/1067330034.db2.gz CTIWYSBOQDLKNJ-YPMHNXCESA-N 0 3 304.350 2.183 20 30 DEEDHN CC#CCN(C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC001483406008 1078513555 /nfs/dbraw/zinc/51/35/55/1078513555.db2.gz PAGODQKUHZTIMX-FUHWJXTLSA-N 0 3 315.461 2.139 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC001580050901 1067483153 /nfs/dbraw/zinc/48/31/53/1067483153.db2.gz QMGZTOFPUAECSW-INIZCTEOSA-N 0 3 323.400 2.126 20 30 DEEDHN CCN(C)[C@@H]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 ZINC001637913162 1078540105 /nfs/dbraw/zinc/54/01/05/1078540105.db2.gz WEKUCDNPQJSVMJ-ZBTGYSDGSA-N 0 3 300.402 2.287 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001580242880 1067536958 /nfs/dbraw/zinc/53/69/58/1067536958.db2.gz WUAYMIJQYHAMHR-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCc3cccnc32)C1 ZINC001267110655 1078588752 /nfs/dbraw/zinc/58/87/52/1078588752.db2.gz GTVXBHQTRBFMFV-SJORKVTESA-N 0 3 311.429 2.058 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1[nH]c(C)cc1C ZINC001570535183 1067991117 /nfs/dbraw/zinc/99/11/17/1067991117.db2.gz YRZZIWQVEBEODC-INIZCTEOSA-N 0 3 319.449 2.371 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nn(C)c(C)c1Cl ZINC001570542120 1067994683 /nfs/dbraw/zinc/99/46/83/1067994683.db2.gz PCLLKHQVGPDVLN-GFCCVEGCSA-N 0 3 310.829 2.104 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnc(C2CC2)nc1 ZINC001570541417 1067994789 /nfs/dbraw/zinc/99/47/89/1067994789.db2.gz FJBURVPKYRUITO-HNNXBMFYSA-N 0 3 300.406 2.076 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CC(CNCc2cc(OC)ccn2)C1 ZINC001570569826 1068013351 /nfs/dbraw/zinc/01/33/51/1068013351.db2.gz ZMXLOLFZSZIUKC-UHFFFAOYSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(=O)OC)s1 ZINC001640016139 1078637346 /nfs/dbraw/zinc/63/73/46/1078637346.db2.gz QTLISVAFSFZEDW-UHFFFAOYSA-N 0 3 310.419 2.115 20 30 DEEDHN CC(C)=CC(=O)NC[C@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001570695294 1068071051 /nfs/dbraw/zinc/07/10/51/1068071051.db2.gz JDXDQNDYUMVJKO-HNNXBMFYSA-N 0 3 315.417 2.492 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2ccc(C)cc2F)C1 ZINC001570856418 1068141042 /nfs/dbraw/zinc/14/10/42/1068141042.db2.gz VHERPLUDTQQIAC-AWEZNQCLSA-N 0 3 320.408 2.387 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H](C)c2ccccc2)C1 ZINC001570860238 1068142612 /nfs/dbraw/zinc/14/26/12/1068142612.db2.gz PEXQERRTGQDZAP-HZPDHXFCSA-N 0 3 316.445 2.429 20 30 DEEDHN C[C@@H]1CCCC[C@H]1OCCN(C)CCNC(=O)C#CC1CC1 ZINC001267194769 1078657596 /nfs/dbraw/zinc/65/75/96/1078657596.db2.gz XVDYABAETIFBPM-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@]2(C)CN(CC#CC)C[C@@]2(C)C1 ZINC001571060177 1068177313 /nfs/dbraw/zinc/17/73/13/1068177313.db2.gz UBVYOAQLNSRKDH-KDURUIRLSA-N 0 3 318.461 2.163 20 30 DEEDHN Cc1ncoc1CNCCC[C@H](C)NC(=O)C#CC(C)(C)C ZINC001571254060 1068205708 /nfs/dbraw/zinc/20/57/08/1068205708.db2.gz VGUZGQBCAKUZTO-ZDUSSCGKSA-N 0 3 305.422 2.407 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1nc(Cl)sc1Cl ZINC001267210892 1078667759 /nfs/dbraw/zinc/66/77/59/1078667759.db2.gz PTIRMJMUJLYIBC-UHFFFAOYSA-N 0 3 306.218 2.135 20 30 DEEDHN Cc1cnccc1C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001571385307 1068266058 /nfs/dbraw/zinc/26/60/58/1068266058.db2.gz FKXBFUFRCNTUMG-KRWDZBQOSA-N 0 3 321.424 2.492 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1c(F)ccc2ccncc21 ZINC001571388066 1068269857 /nfs/dbraw/zinc/26/98/57/1068269857.db2.gz ISFOGJYDCZTXEM-ZDUSSCGKSA-N 0 3 313.376 2.447 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C1CCCCCCC1 ZINC001571395389 1068271996 /nfs/dbraw/zinc/27/19/96/1068271996.db2.gz FRXATFVXYPSVJH-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)N(C)C[C@H](C)NCC#CCOC)CC1 ZINC001571414394 1068283184 /nfs/dbraw/zinc/28/31/84/1068283184.db2.gz ONNNTSYZTAIQJM-ULQDDVLXSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)c1ccccc1-c1ccccc1 ZINC001571446926 1068296256 /nfs/dbraw/zinc/29/62/56/1068296256.db2.gz PVCVGDGCXOKIMA-MRXNPFEDSA-N 0 3 310.397 2.220 20 30 DEEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)c1ccc[nH]1 ZINC001571471414 1068322524 /nfs/dbraw/zinc/32/25/24/1068322524.db2.gz RATVXZZHEZEKJB-DOTOQJQBSA-N 0 3 307.397 2.259 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)C[C@@H](OC)c1ccccc1 ZINC001267241471 1078692555 /nfs/dbraw/zinc/69/25/55/1078692555.db2.gz YPTWFTSJZDCDSR-GOSISDBHSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cccc(NC(=O)CC)c1 ZINC001267242785 1078692760 /nfs/dbraw/zinc/69/27/60/1078692760.db2.gz YDADOOBXXDVPON-UHFFFAOYSA-N 0 3 303.406 2.273 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001571483274 1068338088 /nfs/dbraw/zinc/33/80/88/1068338088.db2.gz OYLAAZDFMISCAI-DOTOQJQBSA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2nccc3ccccc32)C1 ZINC001571485285 1068341098 /nfs/dbraw/zinc/34/10/98/1068341098.db2.gz PHGYBMDICBRFFO-ZBFHGGJFSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCCC(=O)N[C@@H](CNC(=O)CN1CCC[C@H]1C)C(C)(C)C ZINC001511770510 1068380756 /nfs/dbraw/zinc/38/07/56/1068380756.db2.gz XXBPJJRVQUQKTD-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@H](CNC(=O)CN1CCC[C@H]1C)C(C)(C)C ZINC001511770517 1068380810 /nfs/dbraw/zinc/38/08/10/1068380810.db2.gz XXBPJJRVQUQKTD-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cccc2nccn21)C(C)C ZINC001571613417 1068439594 /nfs/dbraw/zinc/43/95/94/1068439594.db2.gz VVZRSWMTZFBXBJ-UHFFFAOYSA-N 0 3 312.417 2.140 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cn(C(C)(C)C)nn1)C(C)C ZINC001571612686 1068440649 /nfs/dbraw/zinc/44/06/49/1068440649.db2.gz UHZDWFPHOSCRNN-UHFFFAOYSA-N 0 3 307.442 2.002 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)C[C@H]3CCCOC3)CC2)CC1 ZINC001571670473 1068470912 /nfs/dbraw/zinc/47/09/12/1068470912.db2.gz NRZJYVGVJULDIW-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCc3cscn3)CC2)CC1 ZINC001571670660 1068471317 /nfs/dbraw/zinc/47/13/17/1068471317.db2.gz VVZCWUOZRAYJLH-UHFFFAOYSA-N 0 3 317.458 2.070 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2ccc(C#N)[nH]2)c(F)c1 ZINC001571701909 1068491638 /nfs/dbraw/zinc/49/16/38/1068491638.db2.gz AEPPWOXSKVQXST-UHFFFAOYSA-N 0 3 312.348 2.231 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC001483653542 1078745106 /nfs/dbraw/zinc/74/51/06/1078745106.db2.gz RJQBHMXLQPDMIF-NWDGAFQWSA-N 0 3 310.829 2.232 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001267315670 1078758947 /nfs/dbraw/zinc/75/89/47/1078758947.db2.gz RDXLKQKKLSXCQO-GOSISDBHSA-N 0 3 314.429 2.266 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cc1ccc(F)cn1)c1ccccc1 ZINC001267362359 1078793561 /nfs/dbraw/zinc/79/35/61/1078793561.db2.gz QIELZNFYDZDQDE-KRWDZBQOSA-N 0 3 313.376 2.396 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC2(C)COC2)cc1 ZINC001515356550 1068868022 /nfs/dbraw/zinc/86/80/22/1068868022.db2.gz CJRPOCHIOJCUGD-CQSZACIVSA-N 0 3 300.358 2.323 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC(C)(C)C[C@H]2C)c1 ZINC001643442731 1078799143 /nfs/dbraw/zinc/79/91/43/1078799143.db2.gz BJFIRCVZQSVMJZ-CYBMUJFWSA-N 0 3 313.401 2.436 20 30 DEEDHN C=C[C@H](O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC(C)C ZINC001517406583 1068966171 /nfs/dbraw/zinc/96/61/71/1068966171.db2.gz YOBZMJDJJMDMOO-ZNMIVQPWSA-N 0 3 321.469 2.072 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001483703218 1078821626 /nfs/dbraw/zinc/82/16/26/1078821626.db2.gz SXLZEPPBDRBPCM-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN CC[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)[C@@H](CC)CN1 ZINC001573718202 1069077874 /nfs/dbraw/zinc/07/78/74/1069077874.db2.gz JOPMLWNGRUTUGC-OCCSQVGLSA-N 0 3 301.394 2.142 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2CCN(C)[C@@H](C(C)C)C2)n1CC ZINC001521124589 1069208409 /nfs/dbraw/zinc/20/84/09/1069208409.db2.gz SFHMEPLJXRYUNN-OAHLLOKOSA-N 0 3 317.481 2.375 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC001521446748 1069242601 /nfs/dbraw/zinc/24/26/01/1069242601.db2.gz SEQLOQJNERDAQF-GDBMZVCRSA-N 0 3 301.434 2.237 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001521991246 1069290335 /nfs/dbraw/zinc/29/03/35/1069290335.db2.gz BVILQNMZCDUMQY-BBWFWOEESA-N 0 3 316.401 2.267 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001574962109 1069306999 /nfs/dbraw/zinc/30/69/99/1069306999.db2.gz FRTTVRQWMSAEHI-ZWKOTPCHSA-N 0 3 313.445 2.163 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC001574963548 1069308970 /nfs/dbraw/zinc/30/89/70/1069308970.db2.gz WKSBQONVCDCOCI-QGZVFWFLSA-N 0 3 302.393 2.348 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](CC)NCc1cncc(F)c1 ZINC001267815646 1079512231 /nfs/dbraw/zinc/51/22/31/1079512231.db2.gz QCMPKLDZRZCAIV-INIZCTEOSA-N 0 3 305.397 2.399 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccn(C)n2)n1 ZINC001645453860 1078901448 /nfs/dbraw/zinc/90/14/48/1078901448.db2.gz TWCCZYCYHONFBV-UHFFFAOYSA-N 0 3 319.478 2.483 20 30 DEEDHN C=CCCCN(CC)C(=O)NCCCCN1CCN(C)CC1 ZINC001352005437 1078910812 /nfs/dbraw/zinc/91/08/12/1078910812.db2.gz ACCMIHBBRBZFQW-UHFFFAOYSA-N 0 3 310.486 2.012 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ccnc(F)c1)c1ccccc1 ZINC001267516306 1078945590 /nfs/dbraw/zinc/94/55/90/1078945590.db2.gz BQXAGPITYVCMDZ-INIZCTEOSA-N 0 3 311.360 2.305 20 30 DEEDHN C=CCN[C@H](CNC(=O)C1CCC(O)CC1)c1ccccc1 ZINC001267518758 1078947371 /nfs/dbraw/zinc/94/73/71/1078947371.db2.gz BESAKEXIKRZUJM-OFLPRAFFSA-N 0 3 302.418 2.171 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)C(=O)C(C)(C)C)c1ccccc1 ZINC001267517882 1078947499 /nfs/dbraw/zinc/94/74/99/1078947499.db2.gz UUJFDMTYOYDCBR-HNNXBMFYSA-N 0 3 300.402 2.072 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC001272556259 1078959818 /nfs/dbraw/zinc/95/98/18/1078959818.db2.gz PWUHJGXMUKWKJZ-ZIAGYGMSSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](OC)C1CC1)c1ccccc1 ZINC001267521279 1078951991 /nfs/dbraw/zinc/95/19/91/1078951991.db2.gz RKPVPGVDNZYREL-SJORKVTESA-N 0 3 302.418 2.435 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2csc(C(C)(C)C)n2)CC1 ZINC001670872128 1078970502 /nfs/dbraw/zinc/97/05/02/1078970502.db2.gz NDAYFNGGFHYYGP-UHFFFAOYSA-N 0 3 319.474 2.245 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cn(CC)nc2C)C1 ZINC001272581019 1078980382 /nfs/dbraw/zinc/98/03/82/1078980382.db2.gz CHPQPYAXPIGSCF-AWEZNQCLSA-N 0 3 324.856 2.406 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H](C)COC)C1 ZINC001272606532 1079002019 /nfs/dbraw/zinc/00/20/19/1079002019.db2.gz BDMWCOUFHVOHKT-GXTWGEPZSA-N 0 3 302.846 2.240 20 30 DEEDHN N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272619555 1079016627 /nfs/dbraw/zinc/01/66/27/1079016627.db2.gz WZHGAPDXMLSUAL-HZPDHXFCSA-N 0 3 313.401 2.261 20 30 DEEDHN N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272619555 1079016636 /nfs/dbraw/zinc/01/66/36/1079016636.db2.gz WZHGAPDXMLSUAL-HZPDHXFCSA-N 0 3 313.401 2.261 20 30 DEEDHN CC#CCNC1(CNC(=O)c2nsc3ccc(C)cc32)CC1 ZINC001483759024 1079077524 /nfs/dbraw/zinc/07/75/24/1079077524.db2.gz URSDAVVIEHBSJB-UHFFFAOYSA-N 0 3 313.426 2.480 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCCN1CCc1scnc1C ZINC001481035016 1079102907 /nfs/dbraw/zinc/10/29/07/1079102907.db2.gz HQLDNCIVMFDWEC-HNNXBMFYSA-N 0 3 319.474 2.378 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001483796097 1079125553 /nfs/dbraw/zinc/12/55/53/1079125553.db2.gz BJOBDWDZZMUNAM-HZPDHXFCSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC[C@@H](C)OC)C2)C1 ZINC001483828964 1079140735 /nfs/dbraw/zinc/14/07/35/1079140735.db2.gz DTUOTLQQWNWXBA-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001481062769 1079144024 /nfs/dbraw/zinc/14/40/24/1079144024.db2.gz GBBRMBCFJKESOV-HOTGVXAUSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001483841988 1079153599 /nfs/dbraw/zinc/15/35/99/1079153599.db2.gz MTMIIRDHXKKOLF-LJQANCHMSA-N 0 3 318.461 2.163 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481081189 1079162455 /nfs/dbraw/zinc/16/24/55/1079162455.db2.gz XMKSBIPAYMRIHL-XJKSGUPXSA-N 0 3 317.458 2.248 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCN(CCc2c(F)cccc2F)C1 ZINC001481084938 1079166545 /nfs/dbraw/zinc/16/65/45/1079166545.db2.gz XXMFMMPPABKEKE-QWHCGFSZSA-N 0 3 321.371 2.105 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001481109610 1079194637 /nfs/dbraw/zinc/19/46/37/1079194637.db2.gz BNCVDJODXPVRSL-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](CC)Oc2ccccc2F)C1 ZINC001481119670 1079214136 /nfs/dbraw/zinc/21/41/36/1079214136.db2.gz ZCTCLCFFAHZGFD-ZBFHGGJFSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)C(F)(F)F)C1CCN(CC=C)CC1 ZINC001483986250 1079227142 /nfs/dbraw/zinc/22/71/42/1079227142.db2.gz YLWHMRDQEKISIJ-GFCCVEGCSA-N 0 3 302.340 2.297 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#N ZINC001484018783 1079244393 /nfs/dbraw/zinc/24/43/93/1079244393.db2.gz DASZXIMUGYXKFI-SJORKVTESA-N 0 3 320.481 2.087 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C[C@@H](C)c1ccncc1 ZINC001481139758 1079247336 /nfs/dbraw/zinc/24/73/36/1079247336.db2.gz MUWGLRGHEBBRGR-MRXNPFEDSA-N 0 3 301.434 2.427 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001484035406 1079258172 /nfs/dbraw/zinc/25/81/72/1079258172.db2.gz BCERSUIFRNRELV-GOSISDBHSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001267617906 1079267567 /nfs/dbraw/zinc/26/75/67/1079267567.db2.gz HVYDYHVQXSNUIL-IAGOWNOFSA-N 0 3 309.498 2.321 20 30 DEEDHN CC[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccccn1 ZINC001646530123 1074472105 /nfs/dbraw/zinc/47/21/05/1074472105.db2.gz ZSRWJEMEVWWACX-HOTGVXAUSA-N 0 3 311.385 2.434 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001484069959 1079285443 /nfs/dbraw/zinc/28/54/43/1079285443.db2.gz DDKKQZFSMKESRJ-GOSISDBHSA-N 0 3 302.418 2.449 20 30 DEEDHN CCn1c([C@H]2CCCN(C)C2)nnc1N(CCC#N)CC1CC1 ZINC001646719519 1074574683 /nfs/dbraw/zinc/57/46/83/1074574683.db2.gz ZJCHLQRJIWQLHB-HNNXBMFYSA-N 0 3 316.453 2.237 20 30 DEEDHN CC(C)CN1C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1=O ZINC001646918082 1074693701 /nfs/dbraw/zinc/69/37/01/1074693701.db2.gz IBXOGLUBMFHWRL-CMPLNLGQSA-N 0 3 321.327 2.041 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(C(C)C)C2)cc1OC ZINC001647024570 1074771047 /nfs/dbraw/zinc/77/10/47/1074771047.db2.gz NEQFDTQLJRBKGT-OAHLLOKOSA-N 0 3 318.417 2.359 20 30 DEEDHN CS[C@H]1CC[C@@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC001647094656 1074790812 /nfs/dbraw/zinc/79/08/12/1074790812.db2.gz WPEZKNJMEFRUBI-CVEARBPZSA-N 0 3 317.458 2.390 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC001647357469 1074893412 /nfs/dbraw/zinc/89/34/12/1074893412.db2.gz QXAUZWHQPUZFMZ-QWHCGFSZSA-N 0 3 300.761 2.099 20 30 DEEDHN CCOCCCN(Cc1ccc(C#N)o1)C[C@@H](C)C(=O)OC ZINC001559545759 1075126169 /nfs/dbraw/zinc/12/61/69/1075126169.db2.gz GBWZNJGFNLUWRK-CYBMUJFWSA-N 0 3 308.378 2.189 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](CC)[C@@H]2C)c1 ZINC001559770157 1075129003 /nfs/dbraw/zinc/12/90/03/1075129003.db2.gz ZINRBCJEJNZRKF-ZFWWWQNUSA-N 0 3 313.401 2.436 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCOC(C)C)C(C)(C)[C@H]21 ZINC001565992708 1075214079 /nfs/dbraw/zinc/21/40/79/1075214079.db2.gz KWESUJFNOBCHDI-NJAFHUGGSA-N 0 3 320.477 2.430 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1CCOCC(C)C ZINC001566011882 1075215772 /nfs/dbraw/zinc/21/57/72/1075215772.db2.gz JOOLULXXTFOULF-DLBZAZTESA-N 0 3 308.466 2.288 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)[C@H]1CC ZINC001566020549 1075216700 /nfs/dbraw/zinc/21/67/00/1075216700.db2.gz NEOIGWNKGPGHGO-FRRDWIJNSA-N 0 3 321.387 2.024 20 30 DEEDHN CN(CCCNC(=O)c1ccc(C#N)[nH]1)Cc1ccsc1 ZINC001566447094 1075246753 /nfs/dbraw/zinc/24/67/53/1075246753.db2.gz UZZJOKBXDKMYTJ-UHFFFAOYSA-N 0 3 302.403 2.200 20 30 DEEDHN CCCCCCCN1CCN(CCNC(=O)C#CC(C)C)CC1 ZINC001566648931 1075304681 /nfs/dbraw/zinc/30/46/81/1075304681.db2.gz BCQNOPRPQYNKNC-UHFFFAOYSA-N 0 3 321.509 2.350 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CC(C)C)OC)CC1 ZINC001566692650 1075319315 /nfs/dbraw/zinc/31/93/15/1075319315.db2.gz JRPRTRKTDQCWHR-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCC2CCOCC2)CC1 ZINC001566693772 1075319702 /nfs/dbraw/zinc/31/97/02/1075319702.db2.gz XYDJUQVFCXDLDS-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCC(=O)Nc2ccccc2)C1 ZINC001566799498 1075348025 /nfs/dbraw/zinc/34/80/25/1075348025.db2.gz MJNWCKUDPVXYRW-SHTZXODSSA-N 0 3 315.417 2.074 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001566805539 1075349844 /nfs/dbraw/zinc/34/98/44/1075349844.db2.gz PPSSVWSKQNBQQF-JOCQHMNTSA-N 0 3 319.453 2.267 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCOCC(C)C)C1 ZINC001566825551 1075354608 /nfs/dbraw/zinc/35/46/08/1075354608.db2.gz XJDKGOYDCVPBEM-MSOLQXFVSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001566863568 1075365381 /nfs/dbraw/zinc/36/53/81/1075365381.db2.gz JTIDWVYOAMNEMQ-IYBDPMFKSA-N 0 3 320.408 2.464 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1CCn1cccn1 ZINC001566927043 1075389738 /nfs/dbraw/zinc/38/97/38/1075389738.db2.gz JFBMCTVSLRPSRN-MRXNPFEDSA-N 0 3 318.465 2.456 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1CCn1cccn1 ZINC001566927042 1075389797 /nfs/dbraw/zinc/38/97/97/1075389797.db2.gz JFBMCTVSLRPSRN-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN N#Cc1cc(Cl)ccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001650083242 1079402096 /nfs/dbraw/zinc/40/20/96/1079402096.db2.gz NAHODKRXHRWCBU-HZPDHXFCSA-N 0 3 305.809 2.247 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CC(C1CCC1)C1CCC1 ZINC001567054655 1075423914 /nfs/dbraw/zinc/42/39/14/1075423914.db2.gz WODYOCLVGGXVLI-HNNXBMFYSA-N 0 3 320.477 2.337 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cccc(OCC(C)C)c1 ZINC001567077300 1075427802 /nfs/dbraw/zinc/42/78/02/1075427802.db2.gz MWNYKVUJBAPWKZ-OAHLLOKOSA-N 0 3 302.418 2.453 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CCC[C@H](N(C)CC#C)C2)cc1 ZINC001567192016 1075458603 /nfs/dbraw/zinc/45/86/03/1075458603.db2.gz RUPTZMNAURGJLF-SFHVURJKSA-N 0 3 324.424 2.258 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)NCc2cc(C)n(C)n2)cc1 ZINC001567224735 1075467911 /nfs/dbraw/zinc/46/79/11/1075467911.db2.gz HALCEAITVCTTMA-CQSZACIVSA-N 0 3 324.428 2.008 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001567279333 1075486354 /nfs/dbraw/zinc/48/63/54/1075486354.db2.gz ROXSAMVVZTWUSY-GOSISDBHSA-N 0 3 304.434 2.179 20 30 DEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCC[C@@H](F)C2)c1 ZINC001650165357 1079431769 /nfs/dbraw/zinc/43/17/69/1079431769.db2.gz ZEETZLATLRZUCN-KGLIPLIRSA-N 0 3 310.394 2.202 20 30 DEEDHN C=CCOCC(=O)N(C)[C@H]1CCN(CCCc2ccsc2)C1 ZINC001267759617 1079460402 /nfs/dbraw/zinc/46/04/02/1079460402.db2.gz PSURRIJSVPVQGA-INIZCTEOSA-N 0 3 322.474 2.416 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)COc2ccc(F)cc2F)C1 ZINC001267762551 1079465605 /nfs/dbraw/zinc/46/56/05/1079465605.db2.gz HOZGXUJDPMOVIC-AWEZNQCLSA-N 0 3 324.371 2.452 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1c(C)occ1C(F)(F)F ZINC001481258401 1079484768 /nfs/dbraw/zinc/48/47/68/1079484768.db2.gz OAYYJMHRYKVEEN-UHFFFAOYSA-N 0 3 302.296 2.292 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001267780652 1079492561 /nfs/dbraw/zinc/49/25/61/1079492561.db2.gz SCOVUQPOPFKZAO-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001267790462 1079497534 /nfs/dbraw/zinc/49/75/34/1079497534.db2.gz LPSJEURCUZSFFH-OLZOCXBDSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CC[N@@H+](CCC[C@H](C)O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632659 1076458744 /nfs/dbraw/zinc/45/87/44/1076458744.db2.gz YAXJARPWDDXYIJ-ZDUSSCGKSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](CCC[C@H](C)O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632659 1076458746 /nfs/dbraw/zinc/45/87/46/1076458746.db2.gz YAXJARPWDDXYIJ-ZDUSSCGKSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@@H+](CCC[C@H](C)O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632659 1076458749 /nfs/dbraw/zinc/45/87/49/1076458749.db2.gz YAXJARPWDDXYIJ-ZDUSSCGKSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](CCC[C@H](C)O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632659 1076458752 /nfs/dbraw/zinc/45/87/52/1076458752.db2.gz YAXJARPWDDXYIJ-ZDUSSCGKSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588725852 1076461591 /nfs/dbraw/zinc/46/15/91/1076461591.db2.gz NAADMBHHVFELNL-WBIUFABUSA-N 0 3 317.368 2.248 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588725852 1076461593 /nfs/dbraw/zinc/46/15/93/1076461593.db2.gz NAADMBHHVFELNL-WBIUFABUSA-N 0 3 317.368 2.248 20 30 DEEDHN C[NH+](C)[C@H]1CCC[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591009723 1076702659 /nfs/dbraw/zinc/70/26/59/1076702659.db2.gz FEYAPRMORBQWRD-STQMWFEESA-N 0 3 311.393 2.023 20 30 DEEDHN C[NH+](C)[C@H]1CCC[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591009723 1076702663 /nfs/dbraw/zinc/70/26/63/1076702663.db2.gz FEYAPRMORBQWRD-STQMWFEESA-N 0 3 311.393 2.023 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001592699647 1076955905 /nfs/dbraw/zinc/95/59/05/1076955905.db2.gz GIIVNFFRBKKRSV-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001592699647 1076955909 /nfs/dbraw/zinc/95/59/09/1076955909.db2.gz GIIVNFFRBKKRSV-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001592699647 1076955914 /nfs/dbraw/zinc/95/59/14/1076955914.db2.gz GIIVNFFRBKKRSV-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001592699647 1076955921 /nfs/dbraw/zinc/95/59/21/1076955921.db2.gz GIIVNFFRBKKRSV-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN CC[C@H](CNC(=O)C[C@@H](C)COC)NCC#Cc1ccccc1 ZINC001267824137 1079518031 /nfs/dbraw/zinc/51/80/31/1079518031.db2.gz XLOGEGDIPIPVTN-SJLPKXTDSA-N 0 3 316.445 2.195 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CCCO1)c1ccccc1CC ZINC001484322558 1079537683 /nfs/dbraw/zinc/53/76/83/1079537683.db2.gz AFZNZWMPLKZJBM-ZWKOTPCHSA-N 0 3 314.429 2.198 20 30 DEEDHN N#C[C@]1(C(=O)Nc2cnc3c(c2)CNCC3)CC2CCC1CC2 ZINC001650340022 1079541153 /nfs/dbraw/zinc/54/11/53/1079541153.db2.gz BRYCXGHHRWJBEJ-OOKWDQIISA-N 0 3 310.401 2.386 20 30 DEEDHN C=C(C)C[NH2+]C[C@]1(NC(=O)c2cnc[n-]c2=O)CCCC[C@H]1C ZINC001267869330 1079556152 /nfs/dbraw/zinc/55/61/52/1079556152.db2.gz CUYZEZAFMMJOQQ-CXAGYDPISA-N 0 3 318.421 2.027 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CCOC)CCC1 ZINC001484465861 1079622035 /nfs/dbraw/zinc/62/20/35/1079622035.db2.gz QOABHHZJVTVMSI-HZPDHXFCSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC1(F)F ZINC001484554297 1079657240 /nfs/dbraw/zinc/65/72/40/1079657240.db2.gz SWBACCDDPGNTFG-HNNXBMFYSA-N 0 3 306.356 2.413 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)/C=C/c1ccc[nH]1 ZINC001267979270 1079661986 /nfs/dbraw/zinc/66/19/86/1079661986.db2.gz KUDBVYBAYOYPTN-XVJNWHFHSA-N 0 3 322.412 2.442 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2nnc(C)[nH]2)CC1 ZINC001484572211 1079666151 /nfs/dbraw/zinc/66/61/51/1079666151.db2.gz UCNVBXKVXHZKLA-SHTZXODSSA-N 0 3 319.453 2.234 20 30 DEEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1cnn(C)c1 ZINC001650521508 1079689344 /nfs/dbraw/zinc/68/93/44/1079689344.db2.gz UTZDSNOCLMMKOY-SKDRFNHKSA-N 0 3 304.300 2.463 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001484712444 1079736303 /nfs/dbraw/zinc/73/63/03/1079736303.db2.gz VBJHMTNVLUOPMQ-KRWDZBQOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cc(OC)ns1)c1ccccc1 ZINC001481366615 1079760299 /nfs/dbraw/zinc/76/02/99/1079760299.db2.gz GKUAFKQYRIFGCA-CYBMUJFWSA-N 0 3 317.414 2.398 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cc(C)nn1CC)c1ccccc1 ZINC001481370738 1079762426 /nfs/dbraw/zinc/76/24/26/1079762426.db2.gz KVESGBVSIUMTEX-INIZCTEOSA-N 0 3 312.417 2.458 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001484763046 1079775178 /nfs/dbraw/zinc/77/51/78/1079775178.db2.gz AGAZSJNXQIVOMU-AZUAARDMSA-N 0 3 310.441 2.304 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccncc1C(F)(F)F ZINC001484763045 1079775496 /nfs/dbraw/zinc/77/54/96/1079775496.db2.gz AFSXARDYLLXXNS-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](OCC)C(C)C)C2 ZINC001484827456 1079809758 /nfs/dbraw/zinc/80/97/58/1079809758.db2.gz NWDFFMRZKPWRHB-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@]2(CCN(Cc3cnn(C)c3)C2)C1 ZINC001484824001 1079817736 /nfs/dbraw/zinc/81/77/36/1079817736.db2.gz JIMDMTQNVNBLMR-SFHVURJKSA-N 0 3 316.449 2.201 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)CCn3ccnc3)cc2C1 ZINC001484874392 1079831203 /nfs/dbraw/zinc/83/12/03/1079831203.db2.gz RKSWEPHRCPSJDG-UHFFFAOYSA-N 0 3 324.428 2.481 20 30 DEEDHN CC(C)C(=O)N1C[C@H](NCC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001484881210 1079841762 /nfs/dbraw/zinc/84/17/62/1079841762.db2.gz QQIYWFCRKVBXQA-YOEHRIQHSA-N 0 3 302.393 2.270 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC2)C1 ZINC001484945639 1079876487 /nfs/dbraw/zinc/87/64/87/1079876487.db2.gz DKOWRWUDFMPECQ-IRXDYDNUSA-N 0 3 321.509 2.463 20 30 DEEDHN CC(C)C#CC(=O)NCC[C@H](C)NCc1cnc(Cl)s1 ZINC001484991733 1079909527 /nfs/dbraw/zinc/90/95/27/1079909527.db2.gz NXERBFZNJVMIIH-NSHDSACASA-N 0 3 313.854 2.440 20 30 DEEDHN CCCc1ccc(C(=O)N(C)[C@@H](C)CNCC#CCOC)s1 ZINC001268063820 1080004467 /nfs/dbraw/zinc/00/44/67/1080004467.db2.gz DDVGTWFLQDBGNF-AWEZNQCLSA-N 0 3 322.474 2.401 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001485143065 1080008553 /nfs/dbraw/zinc/00/85/53/1080008553.db2.gz GXGQFXZWAGURGZ-LSDHHAIUSA-N 0 3 320.408 2.157 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001656077862 1080034797 /nfs/dbraw/zinc/03/47/97/1080034797.db2.gz OUKJNNKZYMLBOT-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@H](C)CNCc2cnccc2C)cn1 ZINC001268093473 1080060931 /nfs/dbraw/zinc/06/09/31/1080060931.db2.gz IPWZUPJCGYXTNY-OAHLLOKOSA-N 0 3 322.412 2.017 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001656188325 1080062103 /nfs/dbraw/zinc/06/21/03/1080062103.db2.gz SLBWTNLMTOHYGA-HAQNSBGRSA-N 0 3 309.435 2.102 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NCc3conc3C)C2)C1 ZINC001656222272 1080068277 /nfs/dbraw/zinc/06/82/77/1080068277.db2.gz JCIANZWWBOWIBD-CTYIDZIISA-N 0 3 303.406 2.324 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cncn1C)CC(C)C ZINC001268111141 1080080680 /nfs/dbraw/zinc/08/06/80/1080080680.db2.gz ZWWTZMAYUMNPDJ-CQSZACIVSA-N 0 3 306.454 2.253 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)N(C)CCc1csc(C)n1 ZINC001485298192 1080126722 /nfs/dbraw/zinc/12/67/22/1080126722.db2.gz SYUGOEUROZJOOD-ZDUSSCGKSA-N 0 3 307.463 2.234 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2cnns2)C1 ZINC001268173090 1080161706 /nfs/dbraw/zinc/16/17/06/1080161706.db2.gz CUIDFMAWXWPQJM-KGLIPLIRSA-N 0 3 320.462 2.058 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)C1CCC(F)(F)CC1 ZINC001485355757 1080174721 /nfs/dbraw/zinc/17/47/21/1080174721.db2.gz HLAOAYUIKIITGR-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCC(=O)N(C)CC ZINC001268184497 1080175007 /nfs/dbraw/zinc/17/50/07/1080175007.db2.gz BBOHBPDRFDIJBU-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001268226256 1080208460 /nfs/dbraw/zinc/20/84/60/1080208460.db2.gz ZFGOKHUEXBUNIU-INIZCTEOSA-N 0 3 322.474 2.382 20 30 DEEDHN CN(Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001658506622 1080210096 /nfs/dbraw/zinc/21/00/96/1080210096.db2.gz MZUXSZDPDRVMJA-QGZVFWFLSA-N 0 3 322.368 2.306 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001659538811 1080243468 /nfs/dbraw/zinc/24/34/68/1080243468.db2.gz PHANGNBZCRZSAR-CYBMUJFWSA-N 0 3 301.415 2.114 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCC[C@@H]1CNCc1cscn1 ZINC001268279490 1080259585 /nfs/dbraw/zinc/25/95/85/1080259585.db2.gz XEAMPXNQNWTQEZ-UKRRQHHQSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001485522764 1080281079 /nfs/dbraw/zinc/28/10/79/1080281079.db2.gz OFGWBRNYWMWRSC-NEPJUHHUSA-N 0 3 322.371 2.214 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001485539511 1080286547 /nfs/dbraw/zinc/28/65/47/1080286547.db2.gz OQUWUYGMEFSUHJ-MRXNPFEDSA-N 0 3 310.441 2.486 20 30 DEEDHN N#CC1(CNCCCc2ccc3c(c2)CCO3)CCOCC1 ZINC001660206246 1080286663 /nfs/dbraw/zinc/28/66/63/1080286663.db2.gz PPZPYFKIHWRKNF-UHFFFAOYSA-N 0 3 300.402 2.464 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCCC ZINC001481679304 1080294231 /nfs/dbraw/zinc/29/42/31/1080294231.db2.gz CHVBHMRJJWGHQB-QAETUUGQSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CCc2csc(C)n2)C(C)(C)C1 ZINC001485578186 1080309385 /nfs/dbraw/zinc/30/93/85/1080309385.db2.gz SFBGGXUEHWHGCD-OAHLLOKOSA-N 0 3 319.474 2.234 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cncn1C ZINC001660433535 1080331921 /nfs/dbraw/zinc/33/19/21/1080331921.db2.gz UIWJOCAVCXERIU-GDBMZVCRSA-N 0 3 304.438 2.246 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001485692895 1080377168 /nfs/dbraw/zinc/37/71/68/1080377168.db2.gz PCBXXOHWXAEPRB-JYJNAYRXSA-N 0 3 314.433 2.216 20 30 DEEDHN CO[C@H](C)C(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001485713068 1080395253 /nfs/dbraw/zinc/39/52/53/1080395253.db2.gz YCBVPQDQAVTHSV-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCN(CCc2scnc2C)C1 ZINC001660818746 1080403631 /nfs/dbraw/zinc/40/36/31/1080403631.db2.gz QEVAPRXEJJDIKB-OAHLLOKOSA-N 0 3 319.474 2.378 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001660938788 1080416439 /nfs/dbraw/zinc/41/64/39/1080416439.db2.gz IHEBYKJVNOGWFZ-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nn(C)c2c1CCCC2 ZINC001268402062 1080427431 /nfs/dbraw/zinc/42/74/31/1080427431.db2.gz POYGXLUIBGEREX-LBPRGKRZSA-N 0 3 324.856 2.149 20 30 DEEDHN CN(C(=O)C#CC1CC1)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001485808380 1080449418 /nfs/dbraw/zinc/44/94/18/1080449418.db2.gz HFNRBPQBIIFTIS-HXUWFJFHSA-N 0 3 320.436 2.278 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001268422772 1080455432 /nfs/dbraw/zinc/45/54/32/1080455432.db2.gz HWMZGJZIEMEOIW-AWEZNQCLSA-N 0 3 310.401 2.493 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCc2ccns2)C1 ZINC001661456288 1080483988 /nfs/dbraw/zinc/48/39/88/1080483988.db2.gz UPYIZHCUSCIGSG-XJKCOSOUSA-N 0 3 323.462 2.109 20 30 DEEDHN C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(CCn2cccn2)C1 ZINC001481770007 1080487552 /nfs/dbraw/zinc/48/75/52/1080487552.db2.gz YDQICWPXQBUGLU-INIZCTEOSA-N 0 3 318.465 2.408 20 30 DEEDHN Cc1cnccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272716964 1080487945 /nfs/dbraw/zinc/48/79/45/1080487945.db2.gz OAKLILGKOSPHDD-IAGOWNOFSA-N 0 3 312.417 2.259 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc3cc[nH]c3c2)C1=O ZINC001272733063 1080513969 /nfs/dbraw/zinc/51/39/69/1080513969.db2.gz IRHPLHYIALPLEN-IBGZPJMESA-N 0 3 307.397 2.368 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCOc2ccc(F)cc2)C1 ZINC001661738572 1080515851 /nfs/dbraw/zinc/51/58/51/1080515851.db2.gz IMCBDGFKHPJKDP-HNNXBMFYSA-N 0 3 318.392 2.056 20 30 DEEDHN CC[C@H](CNC(=O)c1ccn(C)c1C)NCC#Cc1ccccc1 ZINC001481847929 1080545731 /nfs/dbraw/zinc/54/57/31/1080545731.db2.gz VRGMJAAORNUFCK-GOSISDBHSA-N 0 3 323.440 2.483 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001661989108 1080557752 /nfs/dbraw/zinc/55/77/52/1080557752.db2.gz JCIDGQUHNIVTDK-FUHWJXTLSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1c(F)ccc(F)c1Cl ZINC001662344709 1080600152 /nfs/dbraw/zinc/60/01/52/1080600152.db2.gz FRZBSBCXPVLIRS-VIFPVBQESA-N 0 3 300.736 2.349 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001662283089 1080591782 /nfs/dbraw/zinc/59/17/82/1080591782.db2.gz OVMJEUBJCQROCE-WFASDCNBSA-N 0 3 304.821 2.487 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1cc(C)on1)C1CC1 ZINC001481924578 1080613412 /nfs/dbraw/zinc/61/34/12/1080613412.db2.gz SHBUKYZACBHAME-HNNXBMFYSA-N 0 3 311.813 2.153 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001662545509 1080614413 /nfs/dbraw/zinc/61/44/13/1080614413.db2.gz QEQMONLNUBVJPW-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cnn(CCC)c1C1CC1 ZINC001268491535 1080624655 /nfs/dbraw/zinc/62/46/55/1080624655.db2.gz XCFASWCGFOMNQZ-UHFFFAOYSA-N 0 3 316.449 2.246 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CNCC(=C)Cl)C1CC1 ZINC001481942007 1080632281 /nfs/dbraw/zinc/63/22/81/1080632281.db2.gz FBNURFWIOHVILU-YCPHGPKFSA-N 0 3 312.841 2.205 20 30 DEEDHN C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001662758717 1080650041 /nfs/dbraw/zinc/65/00/41/1080650041.db2.gz KEHYIROVGUPYKT-CHWSQXEVSA-N 0 3 313.405 2.165 20 30 DEEDHN CCc1nocc1CNCC[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001481972682 1080656646 /nfs/dbraw/zinc/65/66/46/1080656646.db2.gz MRABQVMWGYPYPN-KGLIPLIRSA-N 0 3 318.421 2.115 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cn(C)nc2C(C)C)C1 ZINC001662872296 1080670681 /nfs/dbraw/zinc/67/06/81/1080670681.db2.gz KCCZTEUXBNLNNT-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001662872967 1080671757 /nfs/dbraw/zinc/67/17/57/1080671757.db2.gz WILALQRZMIYMFS-QGZVFWFLSA-N 0 3 314.429 2.402 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001662878906 1080672538 /nfs/dbraw/zinc/67/25/38/1080672538.db2.gz XYADQPMHXWRZDQ-JTQLQIEISA-N 0 3 312.282 2.130 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)CC2CC2)cc1F ZINC001268507237 1080673055 /nfs/dbraw/zinc/67/30/55/1080673055.db2.gz XPSGAFLYPLHKJD-UPHRSURJSA-N 0 3 301.365 2.259 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1cc(C)n(C)n1 ZINC001662971479 1080682748 /nfs/dbraw/zinc/68/27/48/1080682748.db2.gz WKMSYNHEZAJTRG-DYVFJYSZSA-N 0 3 306.454 2.315 20 30 DEEDHN C#CCCN(C)CCNC(=O)COc1c(C)cc(C)cc1C ZINC001663327506 1080731589 /nfs/dbraw/zinc/73/15/89/1080731589.db2.gz FYPOTGPAUZTLIP-UHFFFAOYSA-N 0 3 302.418 2.062 20 30 DEEDHN C=CCN(CC)CCNC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001663406862 1080742756 /nfs/dbraw/zinc/74/27/56/1080742756.db2.gz ITNNKLQDANYHQK-NEPJUHHUSA-N 0 3 308.344 2.111 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)c1n[nH]c(CC)n1 ZINC001482057484 1080759006 /nfs/dbraw/zinc/75/90/06/1080759006.db2.gz IDJMEHCBIPBDAL-ZIAGYGMSSA-N 0 3 319.453 2.365 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCN(C[C@H](O)c2ccccc2F)C1 ZINC001663572268 1080778915 /nfs/dbraw/zinc/77/89/15/1080778915.db2.gz KCFURCRMESCEMT-YOEHRIQHSA-N 0 3 320.408 2.263 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCOc2ccc(C)cc2C)C1 ZINC001663593931 1080785465 /nfs/dbraw/zinc/78/54/65/1080785465.db2.gz YFTFORRXNFITKB-KRWDZBQOSA-N 0 3 314.429 2.144 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001663644359 1080795920 /nfs/dbraw/zinc/79/59/20/1080795920.db2.gz GCLVGRZZSMQYRD-OXJNMPFZSA-N 0 3 310.441 2.352 20 30 DEEDHN C[C@@H](CNC/C(Cl)=C\Cl)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482093907 1080797201 /nfs/dbraw/zinc/79/72/01/1080797201.db2.gz GVHLSSLJLBIMEZ-YNYSXPKMSA-N 0 3 315.204 2.161 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1CC1(F)F ZINC001482099630 1080802474 /nfs/dbraw/zinc/80/24/74/1080802474.db2.gz UJHOLODSPIIUJV-BXUZGUMPSA-N 0 3 307.344 2.055 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)COc1ccccc1C ZINC001663691874 1080804078 /nfs/dbraw/zinc/80/40/78/1080804078.db2.gz BHWPJPQFRJBULL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/93/69/78/1080936978.db2.gz JZLLXDKDSACKCW-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCCN1c1ccccc1 ZINC001268732935 1080958093 /nfs/dbraw/zinc/95/80/93/1080958093.db2.gz QXBZGGCOPIAGMT-NVXWUHKLSA-N 0 3 301.434 2.278 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC001268741331 1080965358 /nfs/dbraw/zinc/96/53/58/1080965358.db2.gz PXYKTFFEJZMFNI-JTQLQIEISA-N 0 3 306.435 2.179 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001665681702 1081063501 /nfs/dbraw/zinc/06/35/01/1081063501.db2.gz LTJQROPQICDPJD-IRXDYDNUSA-N 0 3 314.429 2.318 20 30 DEEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001665714891 1081068714 /nfs/dbraw/zinc/06/87/14/1081068714.db2.gz JTWTVAMLFLSCAH-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001665714503 1081070105 /nfs/dbraw/zinc/07/01/05/1081070105.db2.gz CNXYOPGHQSPAFU-DLBZAZTESA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCCc2ccccn2)C1 ZINC001665736944 1081072558 /nfs/dbraw/zinc/07/25/58/1081072558.db2.gz GRHAFXDQQOLUTJ-SFHVURJKSA-N 0 3 313.445 2.350 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2cc(F)ccc2F)C1 ZINC001665732596 1081073580 /nfs/dbraw/zinc/07/35/80/1081073580.db2.gz WIYKSSZFFHFDHR-INIZCTEOSA-N 0 3 320.383 2.453 20 30 DEEDHN C=C[C@@H](CC(=O)N(CC)[C@H]1CCN(CCO)C1)c1ccccc1 ZINC001665742610 1081074560 /nfs/dbraw/zinc/07/45/60/1081074560.db2.gz PYPVFDHAFKVASQ-WMZOPIPTSA-N 0 3 316.445 2.261 20 30 DEEDHN CC[C@H](CNC(=O)c1nccn1CC)NCC#Cc1ccccc1 ZINC001665782877 1081082303 /nfs/dbraw/zinc/08/23/03/1081082303.db2.gz WJWFKBDYOFHNPB-QGZVFWFLSA-N 0 3 324.428 2.053 20 30 DEEDHN CCc1n[nH]cc1C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001665810645 1081085636 /nfs/dbraw/zinc/08/56/36/1081085636.db2.gz ZKJHFQXSBYCCLY-INIZCTEOSA-N 0 3 324.428 2.122 20 30 DEEDHN C=CCCCS(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001666089349 1081121391 /nfs/dbraw/zinc/12/13/91/1081121391.db2.gz 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/nfs/dbraw/zinc/19/04/66/1081190466.db2.gz MHCQGNGEJPBIHN-LBPRGKRZSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001269275529 1081193343 /nfs/dbraw/zinc/19/33/43/1081193343.db2.gz SPSXHRPTLNLWQC-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001269275593 1081193388 /nfs/dbraw/zinc/19/33/88/1081193388.db2.gz UCHRAOZBFMFCTP-CHWSQXEVSA-N 0 3 304.381 2.013 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccco2)C1 ZINC001269281824 1081196956 /nfs/dbraw/zinc/19/69/56/1081196956.db2.gz UWAQWEIOQDWGKC-HZPDHXFCSA-N 0 3 320.433 2.194 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2cncs2)cc1 ZINC001666966978 1081197861 /nfs/dbraw/zinc/19/78/61/1081197861.db2.gz FYUFTMOKZOIUHK-ZDUSSCGKSA-N 0 3 313.426 2.375 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)C#CC(C)(C)C)C1 ZINC001269323650 1081212432 /nfs/dbraw/zinc/21/24/32/1081212432.db2.gz AKKRSEWDLUSSHX-INIZCTEOSA-N 0 3 306.450 2.161 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001269411790 1081242434 /nfs/dbraw/zinc/24/24/34/1081242434.db2.gz TUUXOMHHLOABES-UONOGXRCSA-N 0 3 318.392 2.163 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)N[C@H](C)c1n[nH]c(C)n1 ZINC001269449313 1081250605 /nfs/dbraw/zinc/25/06/05/1081250605.db2.gz YAAHPKWHUXAPPJ-DGCLKSJQSA-N 0 3 307.442 2.261 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN(C)Cc1ccc(CO)cc1 ZINC001667575074 1081264952 /nfs/dbraw/zinc/26/49/52/1081264952.db2.gz QOKXPTHUNFATAY-UHFFFAOYSA-N 0 3 304.434 2.425 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2c1OCCCO2 ZINC001667643290 1081269676 /nfs/dbraw/zinc/26/96/76/1081269676.db2.gz NHMNJWDIBNNQKG-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C#CC(C)C)C1 ZINC001269556748 1081289066 /nfs/dbraw/zinc/28/90/66/1081289066.db2.gz NUXMRHSMNKFKTK-ZWKOTPCHSA-N 0 3 300.446 2.372 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](O)CNC/C=C\Cl)CCCCC1 ZINC001667939664 1081295364 /nfs/dbraw/zinc/29/53/64/1081295364.db2.gz 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/nfs/dbraw/zinc/39/58/15/1081395815.db2.gz OLHQIPDWFKMCJV-NSCUHMNNSA-N 0 3 323.396 2.464 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C2(C(F)F)CC2)c1 ZINC001668822233 1081402069 /nfs/dbraw/zinc/40/20/69/1081402069.db2.gz WLCIJHSTDRGWPY-UPHRSURJSA-N 0 3 319.355 2.366 20 30 DEEDHN CCCCCC(C)(C)C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001490858579 1081406130 /nfs/dbraw/zinc/40/61/30/1081406130.db2.gz XUOHPNHNAYXMDZ-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001668936674 1081410772 /nfs/dbraw/zinc/41/07/72/1081410772.db2.gz MDYZFPHQHFTZQM-BWPKMQGJSA-N 0 3 302.805 2.265 20 30 DEEDHN CCCc1ccc(C(=O)NC/C=C/CNCC#CCOC)cc1 ZINC001669007932 1081418063 /nfs/dbraw/zinc/41/80/63/1081418063.db2.gz CJRJJQZXHFGJAT-SNAWJCMRSA-N 0 3 314.429 2.165 20 30 DEEDHN CCO[C@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270006499 1081425451 /nfs/dbraw/zinc/42/54/51/1081425451.db2.gz JMQAVVRGTVUFGT-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1sc(C(C)C)nc1C ZINC001669184147 1081436547 /nfs/dbraw/zinc/43/65/47/1081436547.db2.gz VFYIXXXYXLDFBQ-FPLPWBNLSA-N 0 3 305.447 2.474 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cnn(C)c2CC)cc1 ZINC001270064923 1081441547 /nfs/dbraw/zinc/44/15/47/1081441547.db2.gz ASZGIMKYDUGCGR-UHFFFAOYSA-N 0 3 324.428 2.025 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001669277539 1081442778 /nfs/dbraw/zinc/44/27/78/1081442778.db2.gz WRDIFXMAPZMFAG-MRXNPFEDSA-N 0 3 309.413 2.093 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2noc3c2CCCC3)cc1 ZINC001270076638 1081443430 /nfs/dbraw/zinc/44/34/30/1081443430.db2.gz SVKQORJYOVACSX-UHFFFAOYSA-N 0 3 323.396 2.206 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C)n(C(C)C)n2)cc1 ZINC001270088245 1081447046 /nfs/dbraw/zinc/44/70/46/1081447046.db2.gz LHMXOCDXKZRYGX-UHFFFAOYSA-N 0 3 324.428 2.425 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccc(Cl)c(C)c1 ZINC001669388847 1081448276 /nfs/dbraw/zinc/44/82/76/1081448276.db2.gz WMKSABDOCVAFDW-CYBMUJFWSA-N 0 3 308.809 2.006 20 30 DEEDHN Cc1cccc(CN(C)C[C@H](C)NC(=O)CSCC#N)c1 ZINC001669777003 1081466740 /nfs/dbraw/zinc/46/67/40/1081466740.db2.gz JSJVMKJITZEFBW-AWEZNQCLSA-N 0 3 305.447 2.188 20 30 DEEDHN C=C(Cl)CN1CCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000951192338 1081487622 /nfs/dbraw/zinc/48/76/22/1081487622.db2.gz IPVFJFXYJHTBHV-OAHLLOKOSA-N 0 3 313.873 2.146 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CC#Cc2ccccc2)CC1 ZINC001270267032 1081490394 /nfs/dbraw/zinc/49/03/94/1081490394.db2.gz VUSCMESWBKCXSW-UHFFFAOYSA-N 0 3 308.425 2.422 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCC[C@@H]1OC)C1CCN(CC(=C)C)CC1 ZINC001270320460 1081500912 /nfs/dbraw/zinc/50/09/12/1081500912.db2.gz BJENYUAXYVAKQS-ROUUACIJSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]1OC)C1CCN(CC(=C)C)CC1 ZINC001270320458 1081500980 /nfs/dbraw/zinc/50/09/80/1081500980.db2.gz BJENYUAXYVAKQS-QZTJIDSGSA-N 0 3 318.461 2.304 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2cc(OC)ns2)C1 ZINC001670241811 1081505138 /nfs/dbraw/zinc/50/51/38/1081505138.db2.gz QSDUOFLRMJEABN-UHFFFAOYSA-N 0 3 323.462 2.446 20 30 DEEDHN 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323.481 2.180 20 30 DEEDHN C=CCCC(=O)NCC1(NC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001062685740 1087088468 /nfs/dbraw/zinc/08/84/68/1087088468.db2.gz LVMMTBYOWZVOLY-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001063498130 1087436627 /nfs/dbraw/zinc/43/66/27/1087436627.db2.gz MQCHLDZIGMKOAW-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(NC(=O)CN(CC)CC)CCC1 ZINC001064110396 1087549553 /nfs/dbraw/zinc/54/95/53/1087549553.db2.gz WHCXABYUJQRPIG-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc3sccc3c2)[C@@H](O)C1 ZINC001083907351 1087638534 /nfs/dbraw/zinc/63/85/34/1087638534.db2.gz PUUPCRJFZCEIMC-CABCVRRESA-N 0 3 316.426 2.252 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CCC)s2)[C@H](O)C1 ZINC001090299796 1087645447 /nfs/dbraw/zinc/64/54/47/1087645447.db2.gz GYUGOLHBKVNQEF-HUUCEWRRSA-N 0 3 322.474 2.442 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1c1cccc(F)c1 ZINC001079179112 1087738109 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C[C@H](C(=O)NC[C@@H]1CCCCCN1CC#N)N1CCCCCC1 ZINC001276319728 1088971305 /nfs/dbraw/zinc/97/13/05/1088971305.db2.gz MNOVMSIDFHFAEQ-SJORKVTESA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cc(Cl)cs2)[C@H](O)C1 ZINC000958453713 1088997891 /nfs/dbraw/zinc/99/78/91/1088997891.db2.gz PAXWGZLINNUWDD-ZYHUDNBSSA-N 0 3 314.838 2.000 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3sccc3c2)C1 ZINC000958557024 1089056282 /nfs/dbraw/zinc/05/62/82/1089056282.db2.gz XAIMWQJLMXNATC-LSDHHAIUSA-N 0 3 316.426 2.110 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC000958567125 1089061748 /nfs/dbraw/zinc/06/17/48/1089061748.db2.gz LTXXCPLLRDVFOJ-SJORKVTESA-N 0 3 302.418 2.019 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001080561992 1089065833 /nfs/dbraw/zinc/06/58/33/1089065833.db2.gz BOEDEALQOTZLJY-MLGOLLRUSA-N 0 3 311.385 2.177 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(CC)c(C)s2)C1 ZINC000958658136 1089131267 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C=CCN(CC)CCNC(=O)c1cccc(NC(C)=O)c1C ZINC001493043750 1091303089 /nfs/dbraw/zinc/30/30/89/1091303089.db2.gz RPGWCHAYQKAIOU-UHFFFAOYSA-N 0 3 303.406 2.191 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001296131062 1091351933 /nfs/dbraw/zinc/35/19/33/1091351933.db2.gz XPAVHWHTMZUKFV-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(CCOC)CCC2)C[C@@H]1C ZINC001274654782 1091354479 /nfs/dbraw/zinc/35/44/79/1091354479.db2.gz OTTMNQURIKPUPY-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)CCC(C)(F)F)CC1 ZINC001273429517 1091356453 /nfs/dbraw/zinc/35/64/53/1091356453.db2.gz YTYOVYGYKHXYCA-CQSZACIVSA-N 0 3 316.392 2.042 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(c3cncn3C)CC2)C1=O ZINC001274758472 1091399088 /nfs/dbraw/zinc/39/90/88/1091399088.db2.gz JJCRFFWRPORLOK-QGZVFWFLSA-N 0 3 302.422 2.205 20 30 DEEDHN C#CCCN1CCN(CCCCCNC(=O)C=C2CCC2)CC1 ZINC001274872876 1091454718 /nfs/dbraw/zinc/45/47/18/1091454718.db2.gz YOLTYNIYVSFKBE-UHFFFAOYSA-N 0 3 317.477 2.024 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)C2(C)CC=CC2)CC1 ZINC001274878800 1091459887 /nfs/dbraw/zinc/45/98/87/1091459887.db2.gz LIKKTOPKAUKXET-UHFFFAOYSA-N 0 3 319.493 2.433 20 30 DEEDHN N#Cc1ccc(CCCN2CC3(C2)CN(Cc2cn[nH]c2)C3)cc1 ZINC001274892306 1091466961 /nfs/dbraw/zinc/46/69/61/1091466961.db2.gz OVKWCLAPDQAFRV-UHFFFAOYSA-N 0 3 321.428 2.032 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)CC2(C)CCCC2)CC1 ZINC001274903241 1091469284 /nfs/dbraw/zinc/46/92/84/1091469284.db2.gz CSCPKXWDBSQXDV-UHFFFAOYSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001274922997 1091475224 /nfs/dbraw/zinc/47/52/24/1091475224.db2.gz AORUOEDCDSLKOB-GFCCVEGCSA-N 0 3 322.371 2.094 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1cc(C(C)C)oc1C ZINC001274974155 1091497241 /nfs/dbraw/zinc/49/72/41/1091497241.db2.gz PRAGTKJGTKLLMC-CYBMUJFWSA-N 0 3 306.406 2.069 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(Cc4ccc[nH]4)C3)CC2)nc1 ZINC001275032676 1091521797 /nfs/dbraw/zinc/52/17/97/1091521797.db2.gz 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/nfs/dbraw/zinc/77/88/97/1091778897.db2.gz UMPVRWNQJNQVDU-UONOGXRCSA-N 0 3 319.453 2.105 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C(C)C)CCC1 ZINC001275479677 1091786410 /nfs/dbraw/zinc/78/64/10/1091786410.db2.gz CBXHRHWFZKJVDH-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001275503295 1091812741 /nfs/dbraw/zinc/81/27/41/1091812741.db2.gz PWMWROKUYIZKJT-VXGBXAGGSA-N 0 3 314.389 2.008 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(Cc1nc(C)no1)C2 ZINC001273487069 1091877195 /nfs/dbraw/zinc/87/71/95/1091877195.db2.gz CDPXYSZQSPJKDE-KRWDZBQOSA-N 0 3 318.421 2.301 20 30 DEEDHN C#CCCCN1CCCC[C@@]12CC(=O)N(Cc1cnoc1)C2 ZINC001273542399 1091913123 /nfs/dbraw/zinc/91/31/23/1091913123.db2.gz UTZDCFBBWGADFL-KRWDZBQOSA-N 0 3 301.390 2.045 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000948758307 1091920269 /nfs/dbraw/zinc/92/02/69/1091920269.db2.gz DAMNUUHMJUDZJT-GFCCVEGCSA-N 0 3 324.375 2.297 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273631289 1091964206 /nfs/dbraw/zinc/96/42/06/1091964206.db2.gz GCKGYUUSMQVYLO-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2c[nH]c3cnccc23)C1=O ZINC001273728329 1092019506 /nfs/dbraw/zinc/01/95/06/1092019506.db2.gz MZMLEPCIICIGJH-SFHVURJKSA-N 0 3 310.401 2.316 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001275720478 1092038892 /nfs/dbraw/zinc/03/88/92/1092038892.db2.gz GWNUKHJBGNWPCS-RHSMWYFYSA-N 0 3 302.418 2.229 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccoc1Cl)CCO2 ZINC000949080955 1092046131 /nfs/dbraw/zinc/04/61/31/1092046131.db2.gz LSVUUKMLNSFRQF-UHFFFAOYSA-N 0 3 324.808 2.426 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ncc(C)cc3C)CC2)C1=O ZINC001273784996 1092049235 /nfs/dbraw/zinc/04/92/35/1092049235.db2.gz UPAQTVPCXNELPT-UHFFFAOYSA-N 0 3 311.429 2.146 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CC[C@@H]3C[C@@H]31)CCO2 ZINC000949126140 1092053212 /nfs/dbraw/zinc/05/32/12/1092053212.db2.gz KPODRRYYCHTPCN-IKGGRYGDSA-N 0 3 318.461 2.302 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001273801233 1092069971 /nfs/dbraw/zinc/06/99/71/1092069971.db2.gz GZGIBWBGPLHQGO-GOSISDBHSA-N 0 3 315.417 2.096 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001273801233 1092069980 /nfs/dbraw/zinc/06/99/80/1092069980.db2.gz GZGIBWBGPLHQGO-GOSISDBHSA-N 0 3 315.417 2.096 20 30 DEEDHN COC(=O)[C@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC001411749932 1092071424 /nfs/dbraw/zinc/07/14/24/1092071424.db2.gz BFBLZIQRLDKVGX-HIFRSBDPSA-N 0 3 302.374 2.026 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cnns1 ZINC001275754367 1092081420 /nfs/dbraw/zinc/08/14/20/1092081420.db2.gz BGOBVFOUCGXXGO-DZGCQCFKSA-N 0 3 320.462 2.106 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001275780211 1092108727 /nfs/dbraw/zinc/10/87/27/1092108727.db2.gz CSPGGNVGFZZUBA-GUYCJALGSA-N 0 3 320.408 2.452 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC000949471023 1092160222 /nfs/dbraw/zinc/16/02/22/1092160222.db2.gz OEFUCBGENRZLLJ-UHFFFAOYSA-N 0 3 324.440 2.396 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001275897298 1092280513 /nfs/dbraw/zinc/28/05/13/1092280513.db2.gz KWWTXSGLSDJRJS-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001273839732 1092303627 /nfs/dbraw/zinc/30/36/27/1092303627.db2.gz BXNOCSTZCBUFQQ-MJGOQNOKSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)NC/C=C/CNC[C@@H]1COc2ccccc2O1 ZINC001273900686 1092491004 /nfs/dbraw/zinc/49/10/04/1092491004.db2.gz KKQOWUURGHLCKX-LQYUOIDQSA-N 0 3 316.401 2.055 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(N(C)C(=O)CN(C)CCC)C1 ZINC001488587437 1092630250 /nfs/dbraw/zinc/63/02/50/1092630250.db2.gz GATOYWXPNLLZCK-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@](C)(NC(C)=O)C(C)C ZINC001488700307 1092719583 /nfs/dbraw/zinc/71/95/83/1092719583.db2.gz VNWJCCSJXSYTMY-SJLPKXTDSA-N 0 3 323.481 2.036 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001488759180 1092735351 /nfs/dbraw/zinc/73/53/51/1092735351.db2.gz BIOLPTXWUKRPOP-BBWFWOEESA-N 0 3 302.393 2.271 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001488830317 1092790790 /nfs/dbraw/zinc/79/07/90/1092790790.db2.gz LXRPUHHTAFNSFA-SHTZXODSSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2COC)[C@H]1C ZINC001489294433 1093006527 /nfs/dbraw/zinc/00/65/27/1093006527.db2.gz DXDOFPLVDABVEY-OLZOCXBDSA-N 0 3 323.462 2.448 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2ccccc2OC)[C@H]1C ZINC001489306095 1093010564 /nfs/dbraw/zinc/01/05/64/1093010564.db2.gz QWHDOOZIRIGSAF-ZBFHGGJFSA-N 0 3 302.418 2.393 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CCN(CCOC)[C@@H]2C)CCCCC1 ZINC001489315463 1093016143 /nfs/dbraw/zinc/01/61/43/1093016143.db2.gz WRDCXLSZAWCJQG-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ncccc1OC ZINC001489328082 1093021685 /nfs/dbraw/zinc/02/16/85/1093021685.db2.gz SEWCLXGACBHSDI-HNNXBMFYSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C[C@@H](C(=O)N1CCCC[C@H]1CN(C)CCO)c1ccccc1 ZINC001489332901 1093024896 /nfs/dbraw/zinc/02/48/96/1093024896.db2.gz IJXYHCFBABLTTE-ZWKOTPCHSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001489347080 1093031650 /nfs/dbraw/zinc/03/16/50/1093031650.db2.gz HTZZMOFFKDMGNM-MRXNPFEDSA-N 0 3 320.477 2.455 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1n[nH]c(C)n1 ZINC001490305238 1093286616 /nfs/dbraw/zinc/28/66/16/1093286616.db2.gz FBLCERMJWXQCQB-ZFWWWQNUSA-N 0 3 319.453 2.329 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1nonc1C ZINC001490311644 1093303213 /nfs/dbraw/zinc/30/32/13/1093303213.db2.gz JVEUNIYQHIWFQE-PWSUYJOCSA-N 0 3 312.801 2.103 20 30 DEEDHN CC#CCN(CCCNC(=O)c1nccc2occc21)C1CC1 ZINC001490379346 1093333737 /nfs/dbraw/zinc/33/37/37/1093333737.db2.gz ZZONBSYZFVTQEH-UHFFFAOYSA-N 0 3 311.385 2.435 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H]1CCOc2ccccc21)C1CC1 ZINC001490388255 1093340174 /nfs/dbraw/zinc/34/01/74/1093340174.db2.gz WCPUBUOFQOYDPY-QGZVFWFLSA-N 0 3 312.413 2.157 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc(C)n(C(C)C)n1)C1CC1 ZINC001490393098 1093343180 /nfs/dbraw/zinc/34/31/80/1093343180.db2.gz LIJFMUNOTFJAMW-UHFFFAOYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001490553942 1093417375 /nfs/dbraw/zinc/41/73/75/1093417375.db2.gz AZIXGQYNZJVZTR-KGLIPLIRSA-N 0 3 319.405 2.296 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)CC(C)(C)C)CC1 ZINC001490587727 1093433192 /nfs/dbraw/zinc/43/31/92/1093433192.db2.gz KQNBZXNJGWIDGK-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCc2ccoc2)CC1 ZINC001490593611 1093435714 /nfs/dbraw/zinc/43/57/14/1093435714.db2.gz OVNKKADLHIGKMQ-INIZCTEOSA-N 0 3 300.402 2.206 20 30 DEEDHN CCC[C@H](CC)C(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001490604681 1093442601 /nfs/dbraw/zinc/44/26/01/1093442601.db2.gz OBIXGBQPWLJCTF-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1CC ZINC001490801063 1093609664 /nfs/dbraw/zinc/60/96/64/1093609664.db2.gz YMASSYFVIXOLCK-IYBDPMFKSA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](OC)C(F)(F)F ZINC001490805304 1093612139 /nfs/dbraw/zinc/61/21/39/1093612139.db2.gz GZDMYCOBBQIDAY-XQQFMLRXSA-N 0 3 320.355 2.205 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001274097236 1093797707 /nfs/dbraw/zinc/79/77/07/1093797707.db2.gz RKSBVHMMJGURTL-RTRPANQVSA-N 0 3 312.413 2.010 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001277994247 1138391067 /nfs/dbraw/zinc/39/10/67/1138391067.db2.gz FRYHNUPRCLXSBW-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 ZINC001278071610 1138547463 /nfs/dbraw/zinc/54/74/63/1138547463.db2.gz LNQWCFKZWDEWEX-GFCCVEGCSA-N 0 3 321.387 2.026 20 30 DEEDHN Cc1cc(CN[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C)sn1 ZINC001278251404 1138857508 /nfs/dbraw/zinc/85/75/08/1138857508.db2.gz ODPUCXNOQLFXDR-UKRRQHHQSA-N 0 3 305.447 2.190 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001295597255 1139458951 /nfs/dbraw/zinc/45/89/51/1139458951.db2.gz IYDNOLGUJPWFGC-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001295791743 1139566401 /nfs/dbraw/zinc/56/64/01/1139566401.db2.gz KBLSTFANFZTZSD-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnn(-c2ccccc2)c1 ZINC001297378905 1139864854 /nfs/dbraw/zinc/86/48/54/1139864854.db2.gz JZSAWBKXNOAADB-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN Cc1oncc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242601603 1140004969 /nfs/dbraw/zinc/00/49/69/1140004969.db2.gz RUFXAJWAUMAWTI-JTQLQIEISA-N 0 3 300.318 2.389 20 30 DEEDHN C=C(C)CC[NH2+][C@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001491595816 1140190990 /nfs/dbraw/zinc/19/09/90/1140190990.db2.gz PYRZVCTUDKVONE-GFCCVEGCSA-N 0 3 314.389 2.010 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](NCC#CC)C[C@H]2C)cc1 ZINC001278372413 1140261788 /nfs/dbraw/zinc/26/17/88/1140261788.db2.gz UOJLEMARUXROQQ-AEFFLSMTSA-N 0 3 324.424 2.305 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001318413246 1140321736 /nfs/dbraw/zinc/32/17/36/1140321736.db2.gz MXKBWYWXTMRDGF-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN CC[C@@H](CNC(=O)c1cncs1)NCC#Cc1ccccc1 ZINC001318502289 1140352225 /nfs/dbraw/zinc/35/22/25/1140352225.db2.gz KGDOOTDDKCXSPS-HNNXBMFYSA-N 0 3 313.426 2.293 20 30 DEEDHN CC[C@@H](CNC(=O)C1=COCCC1)NCC#Cc1ccccc1 ZINC001318506621 1140354146 /nfs/dbraw/zinc/35/41/46/1140354146.db2.gz KNUITMQUFIPESO-SFHVURJKSA-N 0 3 312.413 2.217 20 30 DEEDHN C[C@@](CNCC#Cc1ccc(F)cc1)(NC(=O)C1CC1)C1CC1 ZINC001318675282 1140384404 /nfs/dbraw/zinc/38/44/04/1140384404.db2.gz LPCLKJKYSASONQ-IBGZPJMESA-N 0 3 314.404 2.462 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001318781448 1140412976 /nfs/dbraw/zinc/41/29/76/1140412976.db2.gz OKANRJQWWGESDA-HUUCEWRRSA-N 0 3 314.857 2.384 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001318841660 1140433485 /nfs/dbraw/zinc/43/34/85/1140433485.db2.gz DMGDCSOKJYCIFF-AWEZNQCLSA-N 0 3 324.856 2.313 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C2CC(F)(F)C2)cc1 ZINC001318988147 1140487019 /nfs/dbraw/zinc/48/70/19/1140487019.db2.gz BSJCBHZPMOHGGN-UHFFFAOYSA-N 0 3 306.356 2.461 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cccnc2OC)cc1 ZINC001319000115 1140488723 /nfs/dbraw/zinc/48/87/23/1140488723.db2.gz JQDAYBJSQBPPFV-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2cnn(C)c2)CCCC1 ZINC001319353069 1140555633 /nfs/dbraw/zinc/55/56/33/1140555633.db2.gz AWNPQWZUVQIBPE-UHFFFAOYSA-N 0 3 304.438 2.295 20 30 DEEDHN C=CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)C(C)(C)CCC)C1=O ZINC001319523416 1140609615 /nfs/dbraw/zinc/60/96/15/1140609615.db2.gz QRQNCGGLLYOOKH-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)c1ccsc1C ZINC001319610991 1140625204 /nfs/dbraw/zinc/62/52/04/1140625204.db2.gz ZMHWHRPQLAFXOL-OAHLLOKOSA-N 0 3 322.474 2.440 20 30 DEEDHN C#CCOCCN(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC001319656627 1140644608 /nfs/dbraw/zinc/64/46/08/1140644608.db2.gz ONLBPARIVCNKPR-UHFFFAOYSA-N 0 3 315.369 2.062 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001320282062 1140844240 /nfs/dbraw/zinc/84/42/40/1140844240.db2.gz OMPMGLUVKABIFM-QGZVFWFLSA-N 0 3 319.445 2.305 20 30 DEEDHN C=CCO[C@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC001320321967 1140850023 /nfs/dbraw/zinc/85/00/23/1140850023.db2.gz QGVRIMCZQGNOQW-HNNXBMFYSA-N 0 3 302.374 2.223 20 30 DEEDHN Cc1nn(C)c(C)c1[C@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC001474749285 1140895724 /nfs/dbraw/zinc/89/57/24/1140895724.db2.gz DXTJNYJGOPNDTE-TVRKMHQQSA-N 0 3 324.428 2.284 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H](C)Oc1ccccc1F ZINC001320744156 1140906155 /nfs/dbraw/zinc/90/61/55/1140906155.db2.gz LQPXLZFFLIBEDD-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCc3ccsc3)CCC[C@@H]12 ZINC001278452782 1140956817 /nfs/dbraw/zinc/95/68/17/1140956817.db2.gz OCKKUANXRAQGAU-NVXWUHKLSA-N 0 3 302.443 2.427 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001321201467 1141084141 /nfs/dbraw/zinc/08/41/41/1141084141.db2.gz WUNKUBIUUTXVLU-MJSXRHKHSA-N 0 3 321.371 2.453 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[C@H](F)C2)c1 ZINC001321210198 1141086207 /nfs/dbraw/zinc/08/62/07/1141086207.db2.gz IPAOOGIINIQGGD-KAWXUTATSA-N 0 3 315.392 2.458 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001321608501 1141315906 /nfs/dbraw/zinc/31/59/06/1141315906.db2.gz AZFNUETXESVMPX-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001321756078 1141339184 /nfs/dbraw/zinc/33/91/84/1141339184.db2.gz IUTNLVZJTLJHSK-LSDHHAIUSA-N 0 3 320.408 2.063 20 30 DEEDHN COC[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001321800333 1141345978 /nfs/dbraw/zinc/34/59/78/1141345978.db2.gz BWFJNDQLNCXFNI-KBPBESRZSA-N 0 3 322.836 2.068 20 30 DEEDHN CCCc1ccc(C(=O)N[C@@H](C)CNCC#CCOC)s1 ZINC001321861307 1141357104 /nfs/dbraw/zinc/35/71/04/1141357104.db2.gz YEDQOXTWQDFHGV-ZDUSSCGKSA-N 0 3 308.447 2.058 20 30 DEEDHN Cc1cc(C)nc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001321905917 1141363549 /nfs/dbraw/zinc/36/35/49/1141363549.db2.gz BIHHYZMSZHAOJT-KRWDZBQOSA-N 0 3 321.424 2.458 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001322150202 1141413666 /nfs/dbraw/zinc/41/36/66/1141413666.db2.gz YXBMONUFMMUQLX-KSSFIOAISA-N 0 3 322.424 2.398 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001322158584 1141419901 /nfs/dbraw/zinc/41/99/01/1141419901.db2.gz VNIOKQZTQXQMHN-KGLIPLIRSA-N 0 3 322.836 2.315 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001322421071 1141573141 /nfs/dbraw/zinc/57/31/41/1141573141.db2.gz WUKCDJNBPCHVOE-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN Cc1cc(CNC[C@@H](NC(=O)C#CC(C)C)C2CC2)sn1 ZINC001322990282 1141792095 /nfs/dbraw/zinc/79/20/95/1141792095.db2.gz FNJSQFOJTVSOIZ-OAHLLOKOSA-N 0 3 305.447 2.095 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001323004644 1141800787 /nfs/dbraw/zinc/80/07/87/1141800787.db2.gz GGXWWYRNWKTXCO-FZMZJTMJSA-N 0 3 319.453 2.261 20 30 DEEDHN CCc1cc(C#N)ccc1CN1CCC2(CC1)N=C(C)N(C)C2=O ZINC001248752828 1141812969 /nfs/dbraw/zinc/81/29/69/1141812969.db2.gz CYDQYECQIJQESL-UHFFFAOYSA-N 0 3 324.428 2.346 20 30 DEEDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001249201329 1141859430 /nfs/dbraw/zinc/85/94/30/1141859430.db2.gz OUEQBBLQTRDXIN-CYBMUJFWSA-N 0 3 302.374 2.233 20 30 DEEDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC001249201329 1141859431 /nfs/dbraw/zinc/85/94/31/1141859431.db2.gz OUEQBBLQTRDXIN-CYBMUJFWSA-N 0 3 302.374 2.233 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1cc(C)ns1 ZINC001324147614 1142017557 /nfs/dbraw/zinc/01/75/57/1142017557.db2.gz WIUHWZYKHHAKGT-AWEZNQCLSA-N 0 3 305.447 2.336 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@](C)(CNCc2nccn2C)C1 ZINC001278536874 1142028808 /nfs/dbraw/zinc/02/88/08/1142028808.db2.gz TYXJCMDPIOLULA-QAPCUYQASA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@@H](CC)CCC)C2)CC1 ZINC001324353802 1142061019 /nfs/dbraw/zinc/06/10/19/1142061019.db2.gz WXXVFDCUBLHFFD-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)CC(C)(C)C=C)C2)CC1 ZINC001324354022 1142061588 /nfs/dbraw/zinc/06/15/88/1142061588.db2.gz PQJWAVQXIWOZLT-INIZCTEOSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN(C(=O)c1cc(OC)cs1)C1CCN(CC=C)CC1 ZINC001324413363 1142073830 /nfs/dbraw/zinc/07/38/30/1142073830.db2.gz LUJBXNZPAFFLIU-UHFFFAOYSA-N 0 3 318.442 2.483 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C1CCN(CCO)CC1 ZINC001324432594 1142076847 /nfs/dbraw/zinc/07/68/47/1142076847.db2.gz YZTPQNNRVLEBTG-WMZOPIPTSA-N 0 3 320.477 2.121 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1CCC1)C2 ZINC001324551174 1142099416 /nfs/dbraw/zinc/09/94/16/1142099416.db2.gz YUSSKQPGGBKSHR-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN CCC[C@H](C)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001278598116 1142311850 /nfs/dbraw/zinc/31/18/50/1142311850.db2.gz JUINVIXVRXKESN-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCOC[C@H](O)CNC1(c2cccc(Br)c2)CC1 ZINC001251893270 1142535819 /nfs/dbraw/zinc/53/58/19/1142535819.db2.gz AJGWHHVVEUDRJB-CQSZACIVSA-N 0 3 324.218 2.039 20 30 DEEDHN O=C(CCNCC#C[C@H]1CCCCO1)Nc1cc(F)cc(F)c1 ZINC001336854517 1142599210 /nfs/dbraw/zinc/59/92/10/1142599210.db2.gz NPLQZBXGGSVHPU-MRXNPFEDSA-N 0 3 322.355 2.456 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCCO[C@H](C(=O)OC)C1 ZINC001252133805 1142650937 /nfs/dbraw/zinc/65/09/37/1142650937.db2.gz SLSSNQYVGCVRSZ-CVEARBPZSA-N 0 3 315.454 2.362 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001337077685 1142677058 /nfs/dbraw/zinc/67/70/58/1142677058.db2.gz JLRUNRCQSTZMKY-HNNXBMFYSA-N 0 3 307.344 2.261 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001278658425 1142681894 /nfs/dbraw/zinc/68/18/94/1142681894.db2.gz FXEHRPNUVMJAHG-FUHWJXTLSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001278668741 1142732878 /nfs/dbraw/zinc/73/28/78/1142732878.db2.gz QLELLKDOFCLUIR-GOSISDBHSA-N 0 3 301.434 2.487 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc3nccn32)C1 ZINC001278668560 1142733051 /nfs/dbraw/zinc/73/30/51/1142733051.db2.gz OVOFODITXVZOBY-IBGZPJMESA-N 0 3 324.428 2.190 20 30 DEEDHN C=C[C@](C)(O)CNCc1ccnc(N2CCCCCC2=O)c1 ZINC001252583454 1142771261 /nfs/dbraw/zinc/77/12/61/1142771261.db2.gz LAONWSMNAMRUHW-KRWDZBQOSA-N 0 3 303.406 2.015 20 30 DEEDHN C=CCC[C@@H](O)CN1CCO[C@]2(CCC[C@@H]2COCC=C)C1 ZINC001252598188 1142782020 /nfs/dbraw/zinc/78/20/20/1142782020.db2.gz KUBXMLIQTFLUIL-KZNAEPCWSA-N 0 3 309.450 2.387 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(c2nc(C(=O)OCC)co2)CC1 ZINC001252603662 1142783508 /nfs/dbraw/zinc/78/35/08/1142783508.db2.gz DFSSLGQSGQRTAM-CQSZACIVSA-N 0 3 322.405 2.358 20 30 DEEDHN C=CCC[C@H](O)CNCc1cncn1Cc1cccc(OC)c1 ZINC001252622662 1142794641 /nfs/dbraw/zinc/79/46/41/1142794641.db2.gz YKIJQLAQTTVQOD-KRWDZBQOSA-N 0 3 315.417 2.357 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC(Oc2ccccc2C#N)CC1 ZINC001252675744 1142806289 /nfs/dbraw/zinc/80/62/89/1142806289.db2.gz LVXFUNOXLFJONU-MRXNPFEDSA-N 0 3 318.417 2.187 20 30 DEEDHN C=C[C@@H](O)CN[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC001253605828 1142883748 /nfs/dbraw/zinc/88/37/48/1142883748.db2.gz XNSQGVCMCDCBKJ-MSOLQXFVSA-N 0 3 316.445 2.183 20 30 DEEDHN C=CCOCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC=C ZINC001338933617 1142893142 /nfs/dbraw/zinc/89/31/42/1142893142.db2.gz GPNUKRIBZUMCOW-LSDHHAIUSA-N 0 3 319.453 2.086 20 30 DEEDHN C#CCN(C(=O)c1ccc(OC)c(C)c1)C1CCN(C)CC1 ZINC001339168042 1142961862 /nfs/dbraw/zinc/96/18/62/1142961862.db2.gz MOBVGOPBTMJQBS-UHFFFAOYSA-N 0 3 300.402 2.173 20 30 DEEDHN C=CCn1c([C@@H](C)O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001339582529 1143057944 /nfs/dbraw/zinc/05/79/44/1143057944.db2.gz CMYQCODVYZIIGK-CQSZACIVSA-N 0 3 321.469 2.076 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccc(C)cc2C)C1 ZINC001278823075 1143353771 /nfs/dbraw/zinc/35/37/71/1143353771.db2.gz WXTDYZWITDIIJX-SFHVURJKSA-N 0 3 302.418 2.046 20 30 DEEDHN C#CCN(CC#C)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254910911 1143357576 /nfs/dbraw/zinc/35/75/76/1143357576.db2.gz AQXIPEZKOIHAGY-MUJYYYPQSA-N 0 3 302.418 2.200 20 30 DEEDHN C=CCn1c(N2CCN(C(C)(C)CC)CC2)nnc1C(C)(C)O ZINC001340546607 1143369098 /nfs/dbraw/zinc/36/90/98/1143369098.db2.gz BYMCJUVDUKIELN-UHFFFAOYSA-N 0 3 321.469 2.002 20 30 DEEDHN C#C[C@H]1CCCCN1c1nnc([C@@H]2CCCN(C)C2)n1CC=C ZINC001340568333 1143372864 /nfs/dbraw/zinc/37/28/64/1143372864.db2.gz QMAQGMBSGUFACP-CVEARBPZSA-N 0 3 313.449 2.265 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001340789733 1143442672 /nfs/dbraw/zinc/44/26/72/1143442672.db2.gz ZNEOCPDPTQUNBN-IAGOWNOFSA-N 0 3 318.417 2.279 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001340863818 1143470510 /nfs/dbraw/zinc/47/05/10/1143470510.db2.gz ZUWQKUTWKZNDBM-CVEARBPZSA-N 0 3 323.481 2.334 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001341316823 1143581935 /nfs/dbraw/zinc/58/19/35/1143581935.db2.gz DWLGRSBTRSVGHW-TZMCWYRMSA-N 0 3 305.378 2.498 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC001341400377 1143595031 /nfs/dbraw/zinc/59/50/31/1143595031.db2.gz YOEOHIQOJPGDES-HUUCEWRRSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC001341553725 1143628688 /nfs/dbraw/zinc/62/86/88/1143628688.db2.gz UJHOHQQEUNEXAC-QGZVFWFLSA-N 0 3 317.433 2.270 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COC(F)(F)F)cc1 ZINC001342035465 1143774039 /nfs/dbraw/zinc/77/40/39/1143774039.db2.gz MGUWUGGVUKLLHM-LLVKDONJSA-N 0 3 314.263 2.433 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001342254000 1143806704 /nfs/dbraw/zinc/80/67/04/1143806704.db2.gz RUHYQXJFVXMNEI-RBSFLKMASA-N 0 3 301.438 2.120 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](CF)C1 ZINC001342259527 1143806856 /nfs/dbraw/zinc/80/68/56/1143806856.db2.gz PBNJPZOQXDYQSS-LSDHHAIUSA-N 0 3 321.444 2.459 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001342513878 1143821497 /nfs/dbraw/zinc/82/14/97/1143821497.db2.gz DVZFDJUFMZVKLI-JQWIXIFHSA-N 0 3 321.318 2.291 20 30 DEEDHN COc1cc(N2CCC(NCCC#N)CC2)ccc1[N+](=O)[O-] ZINC001256082019 1143828929 /nfs/dbraw/zinc/82/89/29/1143828929.db2.gz JBLKUHIEASWRMA-UHFFFAOYSA-N 0 3 304.350 2.075 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCc2cncn2C1)C(C)C ZINC001278912180 1143830316 /nfs/dbraw/zinc/83/03/16/1143830316.db2.gz LCSWKLHSXMXANJ-MRXNPFEDSA-N 0 3 318.465 2.190 20 30 DEEDHN C=CCN1CC[C@H](NC[C@@H](NC(=O)CCCC)C(C)(C)C)C1=O ZINC001278938742 1143849891 /nfs/dbraw/zinc/84/98/91/1143849891.db2.gz CHALXTPYKZCFCE-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804033 1143867802 /nfs/dbraw/zinc/86/78/02/1143867802.db2.gz LCURYSWYSHSUGC-XZDPQHSOSA-N 0 3 306.406 2.416 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H](C)Cc2cccnc2)C1 ZINC001258632931 1144028309 /nfs/dbraw/zinc/02/83/09/1144028309.db2.gz OLROVHVVMYTMHG-GDBMZVCRSA-N 0 3 303.406 2.389 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)Cc2c(C)noc2Cl)CC1 ZINC001279105022 1144120203 /nfs/dbraw/zinc/12/02/03/1144120203.db2.gz RRJLWVZLAVVIGI-LLVKDONJSA-N 0 3 323.824 2.029 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC001261296119 1144231474 /nfs/dbraw/zinc/23/14/74/1144231474.db2.gz RDLAKLSSSNNACF-CQSZACIVSA-N 0 3 311.451 2.022 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001262955567 1144345037 /nfs/dbraw/zinc/34/50/37/1144345037.db2.gz LMTQFJCIJFYTNE-UHFFFAOYSA-N 0 3 313.396 2.192 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001263083243 1144354394 /nfs/dbraw/zinc/35/43/94/1144354394.db2.gz GPSDLEXTQKFGRA-HUUCEWRRSA-N 0 3 323.481 2.071 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC001263091309 1144354758 /nfs/dbraw/zinc/35/47/58/1144354758.db2.gz JXQDIEJPSUEZIZ-PVAVHDDUSA-N 0 3 304.434 2.341 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC001263097438 1144355696 /nfs/dbraw/zinc/35/56/96/1144355696.db2.gz WSHKQFTWZYHZEA-RHSMWYFYSA-N 0 3 319.424 2.452 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cnn(CC2CCC2)c1 ZINC001263254497 1144363381 /nfs/dbraw/zinc/36/33/81/1144363381.db2.gz IMLIOUNPGJIAQK-CJNGLKHVSA-N 0 3 317.437 2.272 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cnc2n1CCOC2 ZINC001263257707 1144363620 /nfs/dbraw/zinc/36/36/20/1144363620.db2.gz AREDCPACQBYTQC-OAHLLOKOSA-N 0 3 322.453 2.107 20 30 DEEDHN CC(C)[C@H](C#N)OC(=O)C1CCN(Cc2ccccc2)C1=O ZINC001263367169 1144372784 /nfs/dbraw/zinc/37/27/84/1144372784.db2.gz KWPJBKIPKSYIEQ-CABCVRRESA-N 0 3 300.358 2.126 20 30 DEEDHN C=CCC1(O)CN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001263932504 1144425738 /nfs/dbraw/zinc/42/57/38/1144425738.db2.gz NNWFVDUZMWUZIN-UHFFFAOYSA-N 0 3 300.402 2.045 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001264106378 1144468717 /nfs/dbraw/zinc/46/87/17/1144468717.db2.gz ZKQDLWCURAHIOG-KRWDZBQOSA-N 0 3 306.450 2.163 20 30 DEEDHN N#CCSCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001264210487 1144507072 /nfs/dbraw/zinc/50/70/72/1144507072.db2.gz JYKKIBXVNAYCPS-UHFFFAOYSA-N 0 3 321.421 2.067 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CC[C@H]2CCOC2)C1 ZINC001264370420 1144516308 /nfs/dbraw/zinc/51/63/08/1144516308.db2.gz CCIPVQMXVIQCPR-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1CC ZINC001264603673 1144576607 /nfs/dbraw/zinc/57/66/07/1144576607.db2.gz JBRUGROLPYXBDC-UONOGXRCSA-N 0 3 321.421 2.022 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cscc1Cl ZINC001264664146 1144588244 /nfs/dbraw/zinc/58/82/44/1144588244.db2.gz YGFKXMNWJWYDEA-UHFFFAOYSA-N 0 3 314.838 2.055 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(CCCOc2ccccc2)[C@@H]1C ZINC001264695073 1144596270 /nfs/dbraw/zinc/59/62/70/1144596270.db2.gz WWTANOSZYXHGIF-INMHGKMJSA-N 0 3 315.417 2.194 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001264751624 1144605770 /nfs/dbraw/zinc/60/57/70/1144605770.db2.gz LSXBXJNNGPEGRY-CVEARBPZSA-N 0 3 320.477 2.289 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001265009827 1144624318 /nfs/dbraw/zinc/62/43/18/1144624318.db2.gz HAWUFOIGYTXVJM-IRXDYDNUSA-N 0 3 320.477 2.313 20 30 DEEDHN CCN(CCCNC(=O)[C@@H](C)C#N)Cc1c(C)nsc1C ZINC001265105825 1144644938 /nfs/dbraw/zinc/64/49/38/1144644938.db2.gz AHEBYZNUTGBUKX-NSHDSACASA-N 0 3 308.451 2.248 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001265210299 1144666964 /nfs/dbraw/zinc/66/69/64/1144666964.db2.gz JBCRFAGXFPSSQU-PKOBYXMFSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001265265400 1144677719 /nfs/dbraw/zinc/67/77/19/1144677719.db2.gz XTEMSWHFCMSNMW-ZWKOTPCHSA-N 0 3 319.493 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001265292065 1144685142 /nfs/dbraw/zinc/68/51/42/1144685142.db2.gz FGDVROXQOVENFH-AWEZNQCLSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](NCc2cc(C)ns2)C1 ZINC001265420764 1144703222 /nfs/dbraw/zinc/70/32/22/1144703222.db2.gz FXINRYVZKGTWAV-KGLIPLIRSA-N 0 3 323.462 2.123 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1)c1ccoc1 ZINC001265529080 1144709359 /nfs/dbraw/zinc/70/93/59/1144709359.db2.gz PIESZWQTJGGTSU-CALCHBBNSA-N 0 3 312.344 2.321 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)Cc1nc(C)sc1C ZINC001265646679 1144722174 /nfs/dbraw/zinc/72/21/74/1144722174.db2.gz DUXQAPRXFGAJHI-OAHLLOKOSA-N 0 3 319.474 2.296 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CNCC(=O)N[C@@H](C)C(C)C ZINC001265664600 1144724643 /nfs/dbraw/zinc/72/46/43/1144724643.db2.gz WCJBLLAXMSTTFH-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CC1 ZINC001265693827 1144729308 /nfs/dbraw/zinc/72/93/08/1144729308.db2.gz NTDFIDZHYCUUDE-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2occc2C)C1 ZINC001265706133 1144732027 /nfs/dbraw/zinc/73/20/27/1144732027.db2.gz RBRJVVRQOHWWPM-HZPDHXFCSA-N 0 3 302.418 2.371 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)NCc1cnn(-c2ccccc2)c1 ZINC001265758703 1144738416 /nfs/dbraw/zinc/73/84/16/1144738416.db2.gz IPPODNLZOXFKDJ-HNNXBMFYSA-N 0 3 312.417 2.433 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](C)NCc1ccccc1OC1CC1 ZINC001265773014 1144739516 /nfs/dbraw/zinc/73/95/16/1144739516.db2.gz NNMRMYYHABRNFL-OAHLLOKOSA-N 0 3 314.429 2.482 20 30 DEEDHN Cc1ncccc1CN[C@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001265867480 1144749135 /nfs/dbraw/zinc/74/91/35/1144749135.db2.gz RORLQXZKGXHULZ-MRXNPFEDSA-N 0 3 321.424 2.426 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cccc2c1OCC2(C)C ZINC001265875355 1144750118 /nfs/dbraw/zinc/75/01/18/1144750118.db2.gz CRFJXRCBZREIFM-ZDUSSCGKSA-N 0 3 300.402 2.088 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2nc(Cl)sc2Cl)C1 ZINC001265923612 1144759463 /nfs/dbraw/zinc/75/94/63/1144759463.db2.gz VWLCTCWMIHQONI-QMMMGPOBSA-N 0 3 318.229 2.277 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](OC)C2CCCC2)C1 ZINC001266116115 1144806881 /nfs/dbraw/zinc/80/68/81/1144806881.db2.gz FPYJOLQUMBRAGN-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2OC)C1 ZINC001266117691 1144807178 /nfs/dbraw/zinc/80/71/78/1144807178.db2.gz YLMZRUGWNBAZHW-OAHLLOKOSA-N 0 3 300.402 2.255 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc2ncccc2o1)C1CC1 ZINC001266148250 1144809848 /nfs/dbraw/zinc/80/98/48/1144809848.db2.gz UPHYRFABRCIJBT-UHFFFAOYSA-N 0 3 311.385 2.435 20 30 DEEDHN C=CC1(CC(=O)NCC2=CCN(CCO)CC2)CCCCC1 ZINC001279653993 1144826536 /nfs/dbraw/zinc/82/65/36/1144826536.db2.gz LFKLUKDVOHVVFM-UHFFFAOYSA-N 0 3 306.450 2.254 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CC(OCC)C2)C1 ZINC001280033204 1144831211 /nfs/dbraw/zinc/83/12/11/1144831211.db2.gz XAQHMEOEVPILLU-NFOMZHRRSA-N 0 3 314.857 2.382 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2ccn(CC)n2)cc1 ZINC001280350150 1144836120 /nfs/dbraw/zinc/83/61/20/1144836120.db2.gz FAARJDWUNKPAKC-HNNXBMFYSA-N 0 3 324.428 2.046 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001316603890 1144843108 /nfs/dbraw/zinc/84/31/08/1144843108.db2.gz XMHQOQRPLYSJHK-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001281387259 1144886284 /nfs/dbraw/zinc/88/62/84/1144886284.db2.gz IPCOQNWKOKGEAS-WMLDXEAASA-N 0 3 323.396 2.085 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2nc(C)cs2)C[C@@H]1C ZINC001281670683 1144905407 /nfs/dbraw/zinc/90/54/07/1144905407.db2.gz PRRADFIICXKBOY-LSDHHAIUSA-N 0 3 319.474 2.377 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2ccn(CC)n2)cc1 ZINC001281740034 1144911644 /nfs/dbraw/zinc/91/16/44/1144911644.db2.gz KLUBMFOIERMHJN-HNNXBMFYSA-N 0 3 324.428 2.183 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001281808781 1144914914 /nfs/dbraw/zinc/91/49/14/1144914914.db2.gz RIIRZTSGSLPTLZ-CVEARBPZSA-N 0 3 308.466 2.332 20 30 DEEDHN CC(=O)CCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282095148 1144971176 /nfs/dbraw/zinc/97/11/76/1144971176.db2.gz KLVTVOPQPLEIIL-IAGOWNOFSA-N 0 3 314.429 2.280 20 30 DEEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C[C@@H](O)c1ccccc1 ZINC001282383870 1145055180 /nfs/dbraw/zinc/05/51/80/1145055180.db2.gz GELVPHQFXAIXSN-DOTOQJQBSA-N 0 3 316.445 2.206 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001282391804 1145058981 /nfs/dbraw/zinc/05/89/81/1145058981.db2.gz SUXBCXIACFEHFG-HUUCEWRRSA-N 0 3 320.408 2.109 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@H](C)NCc2scnc2C)C1 ZINC001282901348 1145194331 /nfs/dbraw/zinc/19/43/31/1145194331.db2.gz BHZNYYMWJGXONK-GXTWGEPZSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@H]([C@H](C)NCc2cncs2)C1 ZINC001282916695 1145201024 /nfs/dbraw/zinc/20/10/24/1145201024.db2.gz UUZAHGWFWJTTFF-ZFWWWQNUSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnn2cccc(Cl)c12 ZINC001283640430 1145557357 /nfs/dbraw/zinc/55/73/57/1145557357.db2.gz UDBHYOKYOVGALX-LBPRGKRZSA-N 0 3 318.808 2.061 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2cn(C)nc2C)CC1 ZINC001283662947 1145568505 /nfs/dbraw/zinc/56/85/05/1145568505.db2.gz JTIXVYVEUWVUNP-AWEZNQCLSA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001283689472 1145587361 /nfs/dbraw/zinc/58/73/61/1145587361.db2.gz AUIQINQFVDYSNX-HNNXBMFYSA-N 0 3 311.429 2.479 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001283693092 1145591982 /nfs/dbraw/zinc/59/19/82/1145591982.db2.gz UFZJWPPKSLPQQU-LYGPFTKASA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001283745242 1145627633 /nfs/dbraw/zinc/62/76/33/1145627633.db2.gz IWMSJMXMHHXFRS-GOEBONIOSA-N 0 3 322.836 2.360 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NCc1ccc(C)cc1C ZINC001283793726 1145648843 /nfs/dbraw/zinc/64/88/43/1145648843.db2.gz WKAIPIIUPFVEEV-KRWDZBQOSA-N 0 3 318.461 2.472 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3ccncc3c2)C1 ZINC001284015621 1145752487 /nfs/dbraw/zinc/75/24/87/1145752487.db2.gz GCHRPFPYLOVQIB-KBXCAEBGSA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CN(C)c2ccccc2)[C@@H]1C ZINC001284147792 1145807829 /nfs/dbraw/zinc/80/78/29/1145807829.db2.gz ADTNJFMZZUGTCW-FUHWJXTLSA-N 0 3 313.445 2.115 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC001284308679 1145834119 /nfs/dbraw/zinc/83/41/19/1145834119.db2.gz CRYZPOVRSFTOBH-BBRMVZONSA-N 0 3 300.418 2.011 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H](O)CN(C)Cc1csc(C)c1 ZINC001284491068 1145862387 /nfs/dbraw/zinc/86/23/87/1145862387.db2.gz DEGZFTKKSFMKFN-MRXNPFEDSA-N 0 3 322.474 2.111 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001285708488 1146299294 /nfs/dbraw/zinc/29/92/94/1146299294.db2.gz UIRBIDRXNHEYGG-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc(C)n1CCN(C)Cc1ccccc1 ZINC001286277021 1146546729 /nfs/dbraw/zinc/54/67/29/1146546729.db2.gz WBDCCSGEJMZDJR-HNNXBMFYSA-N 0 3 311.433 2.176 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C)C(=O)CN(C)CCC)CC1 ZINC001287370215 1146664910 /nfs/dbraw/zinc/66/49/10/1146664910.db2.gz OZKWHDKUCIACHC-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCCC(=O)N(C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001288157434 1146770325 /nfs/dbraw/zinc/77/03/25/1146770325.db2.gz MEWUODWAPVVIRJ-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc(C)cn1 ZINC001365922637 1146911307 /nfs/dbraw/zinc/91/13/07/1146911307.db2.gz PFRHWFAPQIPWDQ-CABCVRRESA-N 0 3 324.856 2.303 20 30 DEEDHN CC(C)C(=O)NC[C@@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001366025095 1147015138 /nfs/dbraw/zinc/01/51/38/1147015138.db2.gz IYWCEDUTSZOFJS-MRXNPFEDSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC2CCOCC2)C1 ZINC001366121926 1147066242 /nfs/dbraw/zinc/06/62/42/1147066242.db2.gz CWZMJDVLGSUGDN-HDJSIYSDSA-N 0 3 300.830 2.183 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001366139605 1147074426 /nfs/dbraw/zinc/07/44/26/1147074426.db2.gz CNZLQYSZNGBFMY-RTXFEEFZSA-N 0 3 304.394 2.003 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001492315698 1147210843 /nfs/dbraw/zinc/21/08/43/1147210843.db2.gz 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C#CCN(CCC)CCNC(=O)c1cnc(CC2CC2)s1 ZINC001317543392 1147722736 /nfs/dbraw/zinc/72/27/36/1147722736.db2.gz VRTYJIXICORSOG-UHFFFAOYSA-N 0 3 305.447 2.171 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)c1ccncc1F ZINC001367666185 1147723906 /nfs/dbraw/zinc/72/39/06/1147723906.db2.gz XSZDKWKGPFUOMN-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)C1(C)CCC1 ZINC001317618829 1147733693 /nfs/dbraw/zinc/73/36/93/1147733693.db2.gz QWCQOCVDJFPREX-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)CCNCC(=O)N1CCCC[C@H]1C ZINC001317623517 1147734288 /nfs/dbraw/zinc/73/42/88/1147734288.db2.gz NVPONVKQAFMCCS-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCNCCN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001317639186 1147737114 /nfs/dbraw/zinc/73/71/14/1147737114.db2.gz JOHLMGCFIQQEHZ-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCNCCN(C)C(=O)COc1ccccc1C(C)C ZINC001317659739 1147740034 /nfs/dbraw/zinc/74/00/34/1147740034.db2.gz AVCBIUFNGRZIPO-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(Cc2cncn2C)C1 ZINC001317790264 1147752848 /nfs/dbraw/zinc/75/28/48/1147752848.db2.gz QJEHUGRYYFVEBA-HNNXBMFYSA-N 0 3 304.438 2.105 20 30 DEEDHN CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001317827804 1147755960 /nfs/dbraw/zinc/75/59/60/1147755960.db2.gz ZHMCLWXBXLAGAL-GOSISDBHSA-N 0 3 321.424 2.460 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001317992122 1147765142 /nfs/dbraw/zinc/76/51/42/1147765142.db2.gz UUDRDRFZSMIGAU-KRWDZBQOSA-N 0 3 320.408 2.151 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)[C@@H]2CC23CC3)C2CC2)s1 ZINC001367912198 1147769031 /nfs/dbraw/zinc/76/90/31/1147769031.db2.gz MKDDGIITQYYRPN-LSDHHAIUSA-N 0 3 315.442 2.404 20 30 DEEDHN C#CCCN1CC(CNC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001318175651 1147789675 /nfs/dbraw/zinc/78/96/75/1147789675.db2.gz CZMUDXWLNSOWKJ-CQSZACIVSA-N 0 3 302.393 2.391 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCO2 ZINC001318215748 1147798575 /nfs/dbraw/zinc/79/85/75/1147798575.db2.gz 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CO[C@H](CNCCC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC001325870144 1148010988 /nfs/dbraw/zinc/01/09/88/1148010988.db2.gz CIUFYFHIAKLNCW-GFCCVEGCSA-N 0 3 315.295 2.054 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cccn2)cc1 ZINC001326490624 1148114616 /nfs/dbraw/zinc/11/46/16/1148114616.db2.gz RMDOHCGGWSUONI-CVEARBPZSA-N 0 3 324.428 2.434 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)n2cccn2)cc1 ZINC001326492820 1148115562 /nfs/dbraw/zinc/11/55/62/1148115562.db2.gz LBTHCYASHXIPJH-LSDHHAIUSA-N 0 3 310.401 2.044 20 30 DEEDHN COC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC001326823941 1148261118 /nfs/dbraw/zinc/26/11/18/1148261118.db2.gz SWZXVEBCSVMWDF-ZDUSSCGKSA-N 0 3 323.780 2.476 20 30 DEEDHN COCC#CCNC1(CNC(=O)C(C)(C)CC(C)C)CCC1 ZINC001326911417 1148287992 /nfs/dbraw/zinc/28/79/92/1148287992.db2.gz QNFFQZJFYUCBFY-UHFFFAOYSA-N 0 3 308.466 2.337 20 30 DEEDHN COCCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000151022315 282109834 /nfs/dbraw/zinc/10/98/34/282109834.db2.gz 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/nfs/dbraw/zinc/31/22/74/214312274.db2.gz FUTSXKNQLOZTRH-CYBMUJFWSA-N 0 3 303.381 2.387 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc(C#N)ccc1F ZINC000278683277 214324473 /nfs/dbraw/zinc/32/44/73/214324473.db2.gz OZQULLAUEHGPJE-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN CC[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1 ZINC000278722321 214355355 /nfs/dbraw/zinc/35/53/55/214355355.db2.gz MGMIXURQTRSOMG-OAHLLOKOSA-N 0 3 306.431 2.424 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H](COC)[C@@H]2CCCO2)cc1 ZINC000278743159 214369686 /nfs/dbraw/zinc/36/96/86/214369686.db2.gz VQVZYIGVDTUIDN-ROUUACIJSA-N 0 3 303.402 2.372 20 30 DEEDHN CCc1ccc([O-])c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000330599937 529690235 /nfs/dbraw/zinc/69/02/35/529690235.db2.gz GTZCMOSDJVYOKJ-UHFFFAOYSA-N 0 3 320.433 2.495 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1Cc1ccccc1 ZINC000181341961 199283618 /nfs/dbraw/zinc/28/36/18/199283618.db2.gz BYOUREXKWIGWQE-GUYCJALGSA-N 0 3 308.385 2.279 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000286604582 219077273 /nfs/dbraw/zinc/07/72/73/219077273.db2.gz ADGIYVAFIYCUMI-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C[C@@H](NC(=O)N(C)CCN(C)C1CC1)c1cccc(C#N)c1 ZINC000613791129 362210063 /nfs/dbraw/zinc/21/00/63/362210063.db2.gz IRHNMDQIXOLSOT-CYBMUJFWSA-N 0 3 300.406 2.355 20 30 DEEDHN Cc1oc(NC(=O)CN[C@H](CCO)C(C)(C)C)c(C#N)c1C ZINC000181467927 199301882 /nfs/dbraw/zinc/30/18/82/199301882.db2.gz CXZVPCIRAANYTI-CYBMUJFWSA-N 0 3 307.394 2.093 20 30 DEEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442776846 529918516 /nfs/dbraw/zinc/91/85/16/529918516.db2.gz HSBDUJOXVXFIGS-MRRJBJDNSA-N 0 3 310.401 2.107 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCc1cccc(C#N)c1 ZINC000332640084 529965431 /nfs/dbraw/zinc/96/54/31/529965431.db2.gz UYSRGZMDOZGVPT-KRWDZBQOSA-N 0 3 314.433 2.084 20 30 DEEDHN N#Cc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000615224410 362562297 /nfs/dbraw/zinc/56/22/97/362562297.db2.gz YDWFEPHURAKYPF-DLBZAZTESA-N 0 3 319.836 2.243 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 ZINC000615539231 362633450 /nfs/dbraw/zinc/63/34/50/362633450.db2.gz IRUCAEDTXCCXCZ-PBHICJAKSA-N 0 3 318.396 2.154 20 30 DEEDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)c(F)c1 ZINC000286895649 219213864 /nfs/dbraw/zinc/21/38/64/219213864.db2.gz DGBIHXDKRUVYGD-VXGBXAGGSA-N 0 3 310.394 2.173 20 30 DEEDHN CN(CCNC(=O)N1CCC[C@@H](CC#N)C1)Cc1ccccc1 ZINC000595463634 358455154 /nfs/dbraw/zinc/45/51/54/358455154.db2.gz BGLHKIYEYUZQAB-KRWDZBQOSA-N 0 3 314.433 2.454 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000171718390 197972905 /nfs/dbraw/zinc/97/29/05/197972905.db2.gz FBCMGNIYGOXRCN-UHFFFAOYSA-N 0 3 324.428 2.181 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC(C)(C)[C@@H]3CCC[C@@H]32)C1 ZINC000328875137 539911687 /nfs/dbraw/zinc/91/16/87/539911687.db2.gz RXDPHOFVNMMJIW-OAGGEKHMSA-N 0 3 321.465 2.464 20 30 DEEDHN O=C(NCCOC1CCCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000329593480 539923624 /nfs/dbraw/zinc/92/36/24/539923624.db2.gz ZRBYFRYCOOOSDZ-AWEZNQCLSA-N 0 3 309.454 2.466 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1F ZINC000331879320 234228586 /nfs/dbraw/zinc/22/85/86/234228586.db2.gz HQJCTZJZPJLSPJ-OAGGEKHMSA-N 0 3 304.365 2.059 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC001300395890 1151849925 /nfs/dbraw/zinc/84/99/25/1151849925.db2.gz GOMFGMWIHMICHB-KKUMJFAQSA-N 0 3 322.449 2.051 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000174184957 198302761 /nfs/dbraw/zinc/30/27/61/198302761.db2.gz DVLQOZGKCVIPGE-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1 ZINC000182116511 199389339 /nfs/dbraw/zinc/38/93/39/199389339.db2.gz NNAYWFYSLWAXIA-UHFFFAOYSA-N 0 3 323.396 2.468 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCC(C)CC1 ZINC000595548754 358479706 /nfs/dbraw/zinc/47/97/06/358479706.db2.gz ZJJITVVJMGSTHS-CVEARBPZSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1cc(NC2CCN(CCc3ccccc3)CC2)ncn1 ZINC000617939227 363323207 /nfs/dbraw/zinc/32/32/07/363323207.db2.gz GKPGKMCFMWYAGS-UHFFFAOYSA-N 0 3 307.401 2.467 20 30 DEEDHN N#Cc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000045029424 354247229 /nfs/dbraw/zinc/24/72/29/354247229.db2.gz SKNYVFUJDIYVGC-UHFFFAOYSA-N 0 3 307.357 2.307 20 30 DEEDHN N#Cc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000043329852 354218923 /nfs/dbraw/zinc/21/89/23/354218923.db2.gz KVKXOBBATQTQTG-UHFFFAOYSA-N 0 3 307.357 2.307 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000052105801 354394429 /nfs/dbraw/zinc/39/44/29/354394429.db2.gz UHZQBPFCPDJROA-MRXNPFEDSA-N 0 3 315.417 2.095 20 30 DEEDHN C=CCN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1 ZINC000052579284 354407712 /nfs/dbraw/zinc/40/77/12/354407712.db2.gz VTAPHLYVYVZSBP-UHFFFAOYSA-N 0 3 315.417 2.395 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccccn1 ZINC000054452468 354462019 /nfs/dbraw/zinc/46/20/19/354462019.db2.gz IHQQSPZMKHEUIW-CYBMUJFWSA-N 0 3 308.341 2.136 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccccc1C#N ZINC000055407292 354497629 /nfs/dbraw/zinc/49/76/29/354497629.db2.gz KLCXZNKYZSGLJP-LSDHHAIUSA-N 0 3 315.417 2.174 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000064129863 354662222 /nfs/dbraw/zinc/66/22/22/354662222.db2.gz FHCFXOPFVCDTHH-UHFFFAOYSA-N 0 3 319.493 2.385 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN(CCO)Cc1ccccc1 ZINC000064845219 354674865 /nfs/dbraw/zinc/67/48/65/354674865.db2.gz VREDHHNRNIHABP-UHFFFAOYSA-N 0 3 323.396 2.381 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000069766329 354876650 /nfs/dbraw/zinc/87/66/50/354876650.db2.gz WDCNUTKQMAAACP-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COCc1ccco1 ZINC000073649451 354974179 /nfs/dbraw/zinc/97/41/79/354974179.db2.gz VPYUPYFKEVISOS-INIZCTEOSA-N 0 3 300.358 2.161 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C[C@@H](C)CO)CC1 ZINC000074130015 355008775 /nfs/dbraw/zinc/00/87/75/355008775.db2.gz UPKXSCYZFQIIES-HUUCEWRRSA-N 0 3 311.470 2.123 20 30 DEEDHN C[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000074161365 355010323 /nfs/dbraw/zinc/01/03/23/355010323.db2.gz PXKGVYRINXXIQS-HIFRSBDPSA-N 0 3 300.406 2.260 20 30 DEEDHN CCNC(=O)COc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000079751108 355328193 /nfs/dbraw/zinc/32/81/93/355328193.db2.gz QFJRGQSTPWZAQT-UHFFFAOYSA-N 0 3 323.396 2.363 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC000080588280 355372648 /nfs/dbraw/zinc/37/26/48/355372648.db2.gz QAWKSMCINIBJJG-XKQJLSEDSA-N 0 3 312.417 2.497 20 30 DEEDHN C=CCCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000080921956 355393502 /nfs/dbraw/zinc/39/35/02/355393502.db2.gz NWPNYBUBTMERAU-UHFFFAOYSA-N 0 3 302.418 2.226 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595596574 358496388 /nfs/dbraw/zinc/49/63/88/358496388.db2.gz OYHGYSHOMHWXAT-HUUCEWRRSA-N 0 3 306.454 2.442 20 30 DEEDHN CC1CCN(C[C@@H](O)CNc2cc(C#N)c3ccccc3n2)CC1 ZINC000427372161 540174125 /nfs/dbraw/zinc/17/41/25/540174125.db2.gz JSXXIHCIUOGPIS-INIZCTEOSA-N 0 3 324.428 2.611 20 30 DEEDHN N#Cc1ccc2nc(N3CCN(C[C@@H]4CCOC4)CC3)ccc2c1 ZINC000092919936 355657000 /nfs/dbraw/zinc/65/70/00/355657000.db2.gz MCKFHGOTWCZZQG-INIZCTEOSA-N 0 3 322.412 2.265 20 30 DEEDHN Cc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)nc1 ZINC000134275368 355858947 /nfs/dbraw/zinc/85/89/47/355858947.db2.gz FCBONUSQWWMIQZ-UHFFFAOYSA-N 0 3 307.401 2.415 20 30 DEEDHN N#Cc1cc(F)c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c(F)c1 ZINC000153144405 355936502 /nfs/dbraw/zinc/93/65/02/355936502.db2.gz JFIVQEJBMPZGAI-GFCCVEGCSA-N 0 3 305.328 2.051 20 30 DEEDHN COCCO[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000179365048 356023428 /nfs/dbraw/zinc/02/34/28/356023428.db2.gz NCELFDODPXCEIN-GOSISDBHSA-N 0 3 318.417 2.455 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000182351151 356123180 /nfs/dbraw/zinc/12/31/80/356123180.db2.gz ZMNSYVZBTOTHDR-CHWSQXEVSA-N 0 3 306.435 2.344 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000182823598 356147835 /nfs/dbraw/zinc/14/78/35/356147835.db2.gz DCRGQIPYIHSRRB-WBVHZDCISA-N 0 3 314.433 2.452 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccco1 ZINC000268882331 356351335 /nfs/dbraw/zinc/35/13/35/356351335.db2.gz YCNMXJSZUGHINN-UHFFFAOYSA-N 0 3 311.385 2.284 20 30 DEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290691076 356379158 /nfs/dbraw/zinc/37/91/58/356379158.db2.gz WBPVDBYPAYBZHM-VFZGTOFNSA-N 0 3 324.340 2.326 20 30 DEEDHN CN(C)CCOc1ccc(CNC(=O)C#Cc2ccccc2)cc1 ZINC000081656692 192307209 /nfs/dbraw/zinc/30/72/09/192307209.db2.gz AIGCGQHMRCAQGT-UHFFFAOYSA-N 0 3 322.408 2.295 20 30 DEEDHN Cc1cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)ccc1C#N ZINC000618593820 363542370 /nfs/dbraw/zinc/54/23/70/363542370.db2.gz YSSFTLKOGPPGID-LJQANCHMSA-N 0 3 312.461 2.079 20 30 DEEDHN N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000382270363 356674961 /nfs/dbraw/zinc/67/49/61/356674961.db2.gz WVEHMUNOGSSKIU-UHFFFAOYSA-N 0 3 320.396 2.348 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578728033 356862158 /nfs/dbraw/zinc/86/21/58/356862158.db2.gz WRPNPEYNQOPICH-XJKSGUPXSA-N 0 3 301.390 2.393 20 30 DEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000581863184 357257140 /nfs/dbraw/zinc/25/71/40/357257140.db2.gz OXGWTHJDMAHNHG-DEORAPPZSA-N 0 3 309.413 2.425 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@@H]3CC[C@](O)(C(F)(F)F)C3)n2c1 ZINC000589938952 357506361 /nfs/dbraw/zinc/50/63/61/357506361.db2.gz GSFGSVUGAZTKHR-BXUZGUMPSA-N 0 3 324.306 2.141 20 30 DEEDHN Cc1ccc([C@@H](CNC(=O)c2cccc(C#N)n2)N(C)C)cc1 ZINC000589344112 357465344 /nfs/dbraw/zinc/46/53/44/357465344.db2.gz ZUZNGDYGDMJSPR-QGZVFWFLSA-N 0 3 308.385 2.294 20 30 DEEDHN Cc1cc(C#N)ccc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000590210239 357526366 /nfs/dbraw/zinc/52/63/66/357526366.db2.gz FMTCSVRBEZCPHK-ROUUACIJSA-N 0 3 300.402 2.276 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000590210294 357526584 /nfs/dbraw/zinc/52/65/84/357526584.db2.gz OZRBEGGIWSWLEO-SJORKVTESA-N 0 3 304.365 2.107 20 30 DEEDHN N#Cc1cccc(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000590684749 357579787 /nfs/dbraw/zinc/57/97/87/357579787.db2.gz UHJSUBFZMJJSRB-UHFFFAOYSA-N 0 3 309.329 2.188 20 30 DEEDHN CCC#C[C@H](C)N1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000590747401 357599409 /nfs/dbraw/zinc/59/94/09/357599409.db2.gz GEUYZNFQHGWGDA-AWEZNQCLSA-N 0 3 303.406 2.499 20 30 DEEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCCN(C(C)C)CC1 ZINC000292349390 223011935 /nfs/dbraw/zinc/01/19/35/223011935.db2.gz DOIICBYLETWUSU-QGZVFWFLSA-N 0 3 315.417 2.188 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CCN(C)C1 ZINC000592029671 357817884 /nfs/dbraw/zinc/81/78/84/357817884.db2.gz IXCFOXGLUJQQOY-HNNXBMFYSA-N 0 3 318.396 2.323 20 30 DEEDHN COc1ccc(C[C@H](C)CN2CC[C@](O)(CC#N)C2)cc1F ZINC000592523064 357893471 /nfs/dbraw/zinc/89/34/71/357893471.db2.gz VHIBEEAHORGWAZ-SUMWQHHRSA-N 0 3 306.381 2.363 20 30 DEEDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC(CCC#N)CC1 ZINC000592567832 357902493 /nfs/dbraw/zinc/90/24/93/357902493.db2.gz IBKJWPSAUBWJQM-HDMKZQKVSA-N 0 3 319.449 2.061 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000593515463 358094760 /nfs/dbraw/zinc/09/47/60/358094760.db2.gz FBVPGAGTXGDJCB-MRXNPFEDSA-N 0 3 315.417 2.379 20 30 DEEDHN CCC(C)(C)N1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000594021024 358191033 /nfs/dbraw/zinc/19/10/33/358191033.db2.gz PKCYWSHSNLIVMN-UHFFFAOYSA-N 0 3 314.433 2.303 20 30 DEEDHN Cc1ccccc1O[C@@H](C)CNC(=O)[C@H](N)CCCCC#N ZINC000594432670 358268886 /nfs/dbraw/zinc/26/88/86/358268886.db2.gz FWOOBCVZIKGILO-LSDHHAIUSA-N 0 3 303.406 2.290 20 30 DEEDHN COC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c(C#N)n1 ZINC000594601333 358302926 /nfs/dbraw/zinc/30/29/26/358302926.db2.gz OLMMTOLZKWCGON-CZUORRHYSA-N 0 3 314.389 2.169 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000180642359 199189378 /nfs/dbraw/zinc/18/93/78/199189378.db2.gz SZQBSYFYXSPTGI-OCCSQVGLSA-N 0 3 304.390 2.189 20 30 DEEDHN CC(C)(CNCc1ccc(C#N)cc1F)[C@@]1(O)CCCOC1 ZINC000594997520 358375910 /nfs/dbraw/zinc/37/59/10/358375910.db2.gz YBWAGDGSJQJTIQ-QGZVFWFLSA-N 0 3 306.381 2.355 20 30 DEEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)[C@@]1(O)CCCOC1 ZINC000594997562 358375968 /nfs/dbraw/zinc/37/59/68/358375968.db2.gz ZPBACJTVHOZXTJ-QGZVFWFLSA-N 0 3 306.381 2.355 20 30 DEEDHN COC(=O)C[C@@H]1CSCCN1CCc1ccc(C#N)cc1 ZINC000595347989 358426779 /nfs/dbraw/zinc/42/67/79/358426779.db2.gz XOUZXTBUKSZKSM-OAHLLOKOSA-N 0 3 304.415 2.081 20 30 DEEDHN CCCN1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000596708741 358744770 /nfs/dbraw/zinc/74/47/70/358744770.db2.gz PPENHONIEYUPFD-ZDUSSCGKSA-N 0 3 302.378 2.173 20 30 DEEDHN C=CC[C@H](C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)c1ccccc1 ZINC000627264005 366493281 /nfs/dbraw/zinc/49/32/81/366493281.db2.gz MREQTYPENJNAIV-BZSNNMDCSA-N 0 3 314.429 2.014 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597921791 359041453 /nfs/dbraw/zinc/04/14/53/359041453.db2.gz AYXKUWODKMKIQS-HIFRSBDPSA-N 0 3 315.417 2.315 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000598342433 359168959 /nfs/dbraw/zinc/16/89/59/359168959.db2.gz NEPHKZJHHWQDDT-OAHLLOKOSA-N 0 3 315.417 2.316 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000598510281 359225886 /nfs/dbraw/zinc/22/58/86/359225886.db2.gz OWQUSZIUVHJBTF-BBRMVZONSA-N 0 3 302.374 2.158 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCCN(Cc2ccccc2)CC1 ZINC000598587164 359250140 /nfs/dbraw/zinc/25/01/40/359250140.db2.gz OCLNIKJHGURDOH-GOSISDBHSA-N 0 3 315.461 2.495 20 30 DEEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592388 359253067 /nfs/dbraw/zinc/25/30/67/359253067.db2.gz KIGPCSKUCKBWLQ-CABCVRRESA-N 0 3 323.481 2.161 20 30 DEEDHN COc1ccc([C@H](CCO)NC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598600215 359256452 /nfs/dbraw/zinc/25/64/52/359256452.db2.gz IIHWWWWWGSHCJO-HOCLYGCPSA-N 0 3 306.406 2.009 20 30 DEEDHN CCOC(=O)c1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598700996 359297154 /nfs/dbraw/zinc/29/71/54/359297154.db2.gz SJQNJOUBMHBIFG-OAHLLOKOSA-N 0 3 304.390 2.254 20 30 DEEDHN CCC(=O)Nc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598715935 359303209 /nfs/dbraw/zinc/30/32/09/359303209.db2.gz VKEWHWPMWJOPDM-HNNXBMFYSA-N 0 3 303.406 2.425 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)CC1(C#N)CC1 ZINC000599295695 359453761 /nfs/dbraw/zinc/45/37/61/359453761.db2.gz CBDGDJULUHNJTQ-FUHWJXTLSA-N 0 3 313.445 2.247 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC000599629937 359547533 /nfs/dbraw/zinc/54/75/33/359547533.db2.gz OSYKZWYETXCGAC-WBVHZDCISA-N 0 3 313.332 2.418 20 30 DEEDHN C#CCOc1ccccc1NC(=O)NC1CCN(CC=C)CC1 ZINC000188051998 200186564 /nfs/dbraw/zinc/18/65/64/200186564.db2.gz VPLBXBZNLPVLGE-UHFFFAOYSA-N 0 3 313.401 2.471 20 30 DEEDHN CN(C)CCn1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cn1 ZINC000601179785 359954663 /nfs/dbraw/zinc/95/46/63/359954663.db2.gz BMUZAVAJCHJDIJ-KRWDZBQOSA-N 0 3 317.437 2.037 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000602427494 360367136 /nfs/dbraw/zinc/36/71/36/360367136.db2.gz JIXAXGVWLZQFHW-CQSZACIVSA-N 0 3 319.453 2.475 20 30 DEEDHN COc1ccccc1N1CC[C@H](NC[C@@H](C)CCC#N)C1=O ZINC000602567065 360436362 /nfs/dbraw/zinc/43/63/62/360436362.db2.gz HGMIASQVQVMXKH-KBPBESRZSA-N 0 3 301.390 2.330 20 30 DEEDHN N#Cc1cccc(CNC[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000602580977 360442812 /nfs/dbraw/zinc/44/28/12/360442812.db2.gz OWQGDACEWBHUMW-INIZCTEOSA-N 0 3 320.396 2.092 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCc2cnn3cc(Br)cnc23)C1 ZINC000602694373 360502207 /nfs/dbraw/zinc/50/22/07/360502207.db2.gz LZTXVUNGJFZTKN-JOYOIKCWSA-N 0 3 320.194 2.274 20 30 DEEDHN CN(CCN1CCN(c2ccccc2)CC1)CC1(CC#N)CC1 ZINC000602783476 360550735 /nfs/dbraw/zinc/55/07/35/360550735.db2.gz ZTXOBLZOOLKWBT-UHFFFAOYSA-N 0 3 312.461 2.434 20 30 DEEDHN CC(C)(C#N)CCN(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602889340 360611272 /nfs/dbraw/zinc/61/12/72/360611272.db2.gz DQWLPHXCJXQFFV-OAHLLOKOSA-N 0 3 311.495 2.066 20 30 DEEDHN N#Cc1cc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1F ZINC000602891788 360612959 /nfs/dbraw/zinc/61/29/59/360612959.db2.gz PCXKULNHVPIKCZ-SJORKVTESA-N 0 3 318.392 2.497 20 30 DEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000442852081 238086089 /nfs/dbraw/zinc/08/60/89/238086089.db2.gz XOKXOXJKFSYCAP-HIFRSBDPSA-N 0 3 319.430 2.008 20 30 DEEDHN CCC(C)(C)N1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603131148 360713248 /nfs/dbraw/zinc/71/32/48/360713248.db2.gz ZIALQDUHPVIPLF-UHFFFAOYSA-N 0 3 301.394 2.291 20 30 DEEDHN CC[C@H](N)c1cn(Cc2cc(C#N)ccc2Br)nn1 ZINC000603241324 360761747 /nfs/dbraw/zinc/76/17/47/360761747.db2.gz KHUJZBBWTOBGBX-LBPRGKRZSA-N 0 3 320.194 2.370 20 30 DEEDHN COc1ccc(C2(NC(=O)C(C)C#N)CCOCC2)cc1F ZINC000444757673 238296066 /nfs/dbraw/zinc/29/60/66/238296066.db2.gz WLDHAILLBHXCGX-LLVKDONJSA-N 0 3 306.337 2.116 20 30 DEEDHN CC(C)C[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000608822207 361269809 /nfs/dbraw/zinc/26/98/09/361269809.db2.gz HFZMAHPEABGWEO-DLBZAZTESA-N 0 3 314.433 2.348 20 30 DEEDHN N#CCN1CCC(NCc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000609334802 361302994 /nfs/dbraw/zinc/30/29/94/361302994.db2.gz IIDCYFVRQQLFIF-UHFFFAOYSA-N 0 3 313.380 2.089 20 30 DEEDHN CN1CCC[C@H](CNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609383289 361307994 /nfs/dbraw/zinc/30/79/94/361307994.db2.gz TVVJNUICPANWCH-CQSZACIVSA-N 0 3 310.401 2.236 20 30 DEEDHN CCO[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000609432813 361312032 /nfs/dbraw/zinc/31/20/32/361312032.db2.gz UMJPHYDZJPIICS-CYBMUJFWSA-N 0 3 307.419 2.449 20 30 DEEDHN CCO[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619281248 363754587 /nfs/dbraw/zinc/75/45/87/363754587.db2.gz LIPAXOIAZZVORZ-DLBZAZTESA-N 0 3 311.385 2.268 20 30 DEEDHN COCCN1CCC(Nc2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610249935 361373976 /nfs/dbraw/zinc/37/39/76/361373976.db2.gz DVKWTRMZAGYBIB-UHFFFAOYSA-N 0 3 324.428 2.360 20 30 DEEDHN C[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccc(C#N)c1 ZINC000610353799 361388847 /nfs/dbraw/zinc/38/88/47/361388847.db2.gz JJHLXAGKMGUKBK-CXAGYDPISA-N 0 3 312.417 2.403 20 30 DEEDHN N#Cc1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)ccc1F ZINC000610719823 361452513 /nfs/dbraw/zinc/45/25/13/361452513.db2.gz JYHQIPIZTQAFEA-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000611205032 361548977 /nfs/dbraw/zinc/54/89/77/361548977.db2.gz HBPPMVKOKPDAHH-TZMCWYRMSA-N 0 3 319.405 2.454 20 30 DEEDHN N#Cc1ccc(NC(=O)CNC2(CO)CCCCC2)cc1Cl ZINC000611462757 361603011 /nfs/dbraw/zinc/60/30/11/361603011.db2.gz LCTQXGTVEKEFLR-UHFFFAOYSA-N 0 3 321.808 2.435 20 30 DEEDHN CS(=O)(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000447535824 239001284 /nfs/dbraw/zinc/00/12/84/239001284.db2.gz IRCHTWMZXVMOEU-JSGCOSHPSA-N 0 3 307.419 2.230 20 30 DEEDHN CN(CCCNC(=O)NCC1(C#N)CC1)Cc1ccccc1 ZINC000619525817 363817649 /nfs/dbraw/zinc/81/76/49/363817649.db2.gz JMSJMSHFWVKAOM-UHFFFAOYSA-N 0 3 300.406 2.111 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000619669579 363851493 /nfs/dbraw/zinc/85/14/93/363851493.db2.gz MSCGBPCHWWCZOO-HNNXBMFYSA-N 0 3 306.454 2.492 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3[nH]c(=O)oc3c2)nc(C)n1 ZINC000619752968 363871430 /nfs/dbraw/zinc/87/14/30/363871430.db2.gz LOHWNPFHCXMGLK-LLVKDONJSA-N 0 3 308.297 2.430 20 30 DEEDHN C=CCCCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275571684 212420696 /nfs/dbraw/zinc/42/06/96/212420696.db2.gz FOHOEIIZGHFTDX-UHFFFAOYSA-N 0 3 317.433 2.202 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000448972055 239866960 /nfs/dbraw/zinc/86/69/60/239866960.db2.gz WZJQYLUGHGOOQB-YOEHRIQHSA-N 0 3 321.490 2.404 20 30 DEEDHN Cn1cncc1[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000275443148 212333989 /nfs/dbraw/zinc/33/39/89/212333989.db2.gz GANVUDUSKPHLOT-WMLDXEAASA-N 0 3 314.364 2.441 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000677047690 541536885 /nfs/dbraw/zinc/53/68/85/541536885.db2.gz FYNMEOSUEUZISL-HNNXBMFYSA-N 0 3 314.389 2.248 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000677480519 541594913 /nfs/dbraw/zinc/59/49/13/541594913.db2.gz YSIYECWTCHUETJ-MRXNPFEDSA-N 0 3 306.381 2.413 20 30 DEEDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000451729152 243371741 /nfs/dbraw/zinc/37/17/41/243371741.db2.gz JJTQSHGVGVBTFJ-QGZVFWFLSA-N 0 3 314.433 2.303 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000452198338 244046953 /nfs/dbraw/zinc/04/69/53/244046953.db2.gz UJQZNKFSQVBAGX-MRXNPFEDSA-N 0 3 324.384 2.014 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N(C)CC(=O)N1CCCC1 ZINC001354110955 1151872380 /nfs/dbraw/zinc/87/23/80/1151872380.db2.gz AKVVVEWTLVBGMS-OAHLLOKOSA-N 0 3 311.470 2.145 20 30 DEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000678785494 541765082 /nfs/dbraw/zinc/76/50/82/541765082.db2.gz GHEVCRBNJBVOKT-CQDKDKBSSA-N 0 3 304.390 2.384 20 30 DEEDHN COC(=O)[C@]1(C)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000093813652 193311490 /nfs/dbraw/zinc/31/14/90/193311490.db2.gz IKXGPEJFGWWOFJ-CXAGYDPISA-N 0 3 302.374 2.362 20 30 DEEDHN C=CCC[C@H](CO)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453377554 245108845 /nfs/dbraw/zinc/10/88/45/245108845.db2.gz XXEOOGHJARUADV-LSDHHAIUSA-N 0 3 311.447 2.074 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)COc1ccc(C#N)cc1 ZINC000264958023 204303522 /nfs/dbraw/zinc/30/35/22/204303522.db2.gz LOVIYLKDLUCHDD-INIZCTEOSA-N 0 3 315.417 2.318 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(CCOc1ccccc1C#N)CC2 ZINC000265077466 204380599 /nfs/dbraw/zinc/38/05/99/204380599.db2.gz QMVXYXALNRXSMM-HNNXBMFYSA-N 0 3 314.385 2.212 20 30 DEEDHN C=CCN1CCC(Nc2ncc(C(=O)N(C)C)cc2Cl)CC1 ZINC000266189060 205170893 /nfs/dbraw/zinc/17/08/93/205170893.db2.gz BOVCHXFUQPRFIT-UHFFFAOYSA-N 0 3 322.840 2.499 20 30 DEEDHN CC[C@@H]1CN(c2ccc(Cl)cc2C#N)CCN1C[C@H](C)O ZINC000266411051 205328440 /nfs/dbraw/zinc/32/84/40/205328440.db2.gz QPOWSMKHTKYSNN-SWLSCSKDSA-N 0 3 307.825 2.493 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2cccc(C#N)c2)CCSC1 ZINC000267135929 205839033 /nfs/dbraw/zinc/83/90/33/205839033.db2.gz DMRZBVSTYIHVNF-HNNXBMFYSA-N 0 3 304.419 2.117 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000135178531 335024770 /nfs/dbraw/zinc/02/47/70/335024770.db2.gz AEEAWCVDMXBUKT-HKUYNNGSSA-N 0 3 316.445 2.124 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000024377438 182379777 /nfs/dbraw/zinc/37/97/77/182379777.db2.gz LZDNVIWJSNMPGI-GHMZBOCLSA-N 0 3 309.797 2.391 20 30 DEEDHN C[C@H](O)CN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000456589908 247297094 /nfs/dbraw/zinc/29/70/94/247297094.db2.gz OOSBOYRADFXBJM-GXTWGEPZSA-N 0 3 310.344 2.233 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC000456626864 247322849 /nfs/dbraw/zinc/32/28/49/247322849.db2.gz LZOXTIZANYJNSE-XGUBFFRZSA-N 0 3 310.438 2.262 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000680909968 542064838 /nfs/dbraw/zinc/06/48/38/542064838.db2.gz CORNLYIKKSSUPC-RDJZCZTQSA-N 0 3 302.418 2.216 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458208310 248205144 /nfs/dbraw/zinc/20/51/44/248205144.db2.gz BJSGSIDSGGJKAI-CABCVRRESA-N 0 3 308.447 2.229 20 30 DEEDHN N#CCC[C@@H](C#N)CNCCCNC(=O)/C=C\c1ccccc1 ZINC000492811208 249145419 /nfs/dbraw/zinc/14/54/19/249145419.db2.gz SUKPKPDUMOIOAX-IBSYWUHOSA-N 0 3 310.401 2.239 20 30 DEEDHN C=CCNC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000102691179 193916334 /nfs/dbraw/zinc/91/63/34/193916334.db2.gz ISEKDBPPEKAZFO-QGZVFWFLSA-N 0 3 304.390 2.047 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812778 183530884 /nfs/dbraw/zinc/53/08/84/183530884.db2.gz QEAKCRLTSXGLSV-CHWSQXEVSA-N 0 3 315.417 2.376 20 30 DEEDHN C=CCCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000104924066 194053746 /nfs/dbraw/zinc/05/37/46/194053746.db2.gz OFBQMQCINXEPKH-UHFFFAOYSA-N 0 3 302.418 2.226 20 30 DEEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000284879792 218219808 /nfs/dbraw/zinc/21/98/08/218219808.db2.gz DYWRPLRNEZTRND-INIZCTEOSA-N 0 3 315.417 2.448 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000106035793 194180804 /nfs/dbraw/zinc/18/08/04/194180804.db2.gz MKHGYFTYFSNSHM-UHFFFAOYSA-N 0 3 304.438 2.408 20 30 DEEDHN Cc1c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000268918786 207084334 /nfs/dbraw/zinc/08/43/34/207084334.db2.gz VYDJMPSGYYLHHZ-UHFFFAOYSA-N 0 3 323.444 2.308 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](N)C(C)C)cc1 ZINC000269046930 207196260 /nfs/dbraw/zinc/19/62/60/207196260.db2.gz OFSXQXJOEJIUAD-MRXNPFEDSA-N 0 3 315.417 2.423 20 30 DEEDHN C=CCCN(C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000682435180 542297629 /nfs/dbraw/zinc/29/76/29/542297629.db2.gz LLLSUTAXDQBNMV-UHFFFAOYSA-N 0 3 322.206 2.465 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000537661774 285010223 /nfs/dbraw/zinc/01/02/23/285010223.db2.gz UWFCJGOCWOQQEC-INIZCTEOSA-N 0 3 318.490 2.220 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C ZINC000373498767 533014223 /nfs/dbraw/zinc/01/42/23/533014223.db2.gz RPRXKTDVTZYZJI-XJKCOSOUSA-N 0 3 302.374 2.218 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000159251942 197340432 /nfs/dbraw/zinc/34/04/32/197340432.db2.gz XQXCTBTXZBSGCW-QGZVFWFLSA-N 0 3 322.497 2.009 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(N)=O)c1)c1nccc2ccccc21 ZINC000682994618 542387604 /nfs/dbraw/zinc/38/76/04/542387604.db2.gz JTPJZUFLXUGMDQ-ZDUSSCGKSA-N 0 3 304.309 2.152 20 30 DEEDHN COCC1(C#N)CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000341979508 533108731 /nfs/dbraw/zinc/10/87/31/533108731.db2.gz BGDLELVPXIDPIW-UHFFFAOYSA-N 0 3 319.380 2.406 20 30 DEEDHN COC(=O)[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000156036188 197082742 /nfs/dbraw/zinc/08/27/42/197082742.db2.gz HQIYDIXPNINVTG-OAHLLOKOSA-N 0 3 302.374 2.212 20 30 DEEDHN C[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1=CCN(C)CC1 ZINC000289659778 221136074 /nfs/dbraw/zinc/13/60/74/221136074.db2.gz GREOLPUMGMXHCZ-LLVKDONJSA-N 0 3 302.353 2.469 20 30 DEEDHN CN(C)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000121084208 195291781 /nfs/dbraw/zinc/29/17/81/195291781.db2.gz PMMDCPXPLJHFEG-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN Cc1cc(NC(=O)NC(C)(C)CN(C)C)c(C#N)cc1N(C)C ZINC000417166868 291955756 /nfs/dbraw/zinc/95/57/56/291955756.db2.gz YLOGJMZJBLAKIC-UHFFFAOYSA-N 0 3 317.437 2.394 20 30 DEEDHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc(C#N)c1 ZINC000429295136 533531575 /nfs/dbraw/zinc/53/15/75/533531575.db2.gz AOITZSVXIOQEQU-MLGOLLRUSA-N 0 3 321.380 2.348 20 30 DEEDHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1C#N ZINC000429323007 533531041 /nfs/dbraw/zinc/53/10/41/533531041.db2.gz QVYWVBADLUTPLN-IUODEOHRSA-N 0 3 321.380 2.348 20 30 DEEDHN COCC#CCN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000685596180 542741933 /nfs/dbraw/zinc/74/19/33/542741933.db2.gz JEOSGKUZHQCOQU-HOTGVXAUSA-N 0 3 310.800 2.464 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000685763100 542753690 /nfs/dbraw/zinc/75/36/90/542753690.db2.gz HSMRLJBLPBLPDF-WMZOPIPTSA-N 0 3 302.418 2.046 20 30 DEEDHN N#Cc1ccc(CN(CCN2C[C@H]3CC[C@@H](C2)O3)C2CC2)cc1 ZINC000362239478 133219383 /nfs/dbraw/zinc/21/93/83/133219383.db2.gz SLOCMPJNOXFMLQ-KDURUIRLSA-N 0 3 311.429 2.386 20 30 DEEDHN CC(=O)c1ccc(OC[C@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000562987744 292022177 /nfs/dbraw/zinc/02/21/77/292022177.db2.gz KEMDEUNOMNPUTJ-GOSISDBHSA-N 0 3 324.380 2.290 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000564868886 292116711 /nfs/dbraw/zinc/11/67/11/292116711.db2.gz KCPUNEZKBAUNKK-OHNRDTAOSA-N 0 3 324.380 2.410 20 30 DEEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1O ZINC000249582506 145187391 /nfs/dbraw/zinc/18/73/91/145187391.db2.gz RRTIJCNWXLSVQM-SUMWQHHRSA-N 0 3 310.401 2.161 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1NCCc2ccccc21 ZINC000261879303 145236728 /nfs/dbraw/zinc/23/67/28/145236728.db2.gz MHWYYKUDSHEDJB-HNNXBMFYSA-N 0 3 309.329 2.160 20 30 DEEDHN C#CCCN1CCN(CCCOc2ccc(OC)cc2)CC1 ZINC000127308955 401728632 /nfs/dbraw/zinc/72/86/32/401728632.db2.gz UIUPSSMCHHXIBE-UHFFFAOYSA-N 0 3 302.418 2.105 20 30 DEEDHN C=C(C)CNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000126580156 401700180 /nfs/dbraw/zinc/70/01/80/401700180.db2.gz ZXAIHSRFENTEAJ-UHFFFAOYSA-N 0 3 303.406 2.159 20 30 DEEDHN C=CCOc1ccccc1CN[C@@H](C)CCN1CCOCC1 ZINC000076898283 401800844 /nfs/dbraw/zinc/80/08/44/401800844.db2.gz JVVMCBONGFNCTH-INIZCTEOSA-N 0 3 304.434 2.452 20 30 DEEDHN CN(C)S(=O)(=O)c1ccccc1CNCC(C)(C)CCC#N ZINC000078052283 401838440 /nfs/dbraw/zinc/83/84/40/401838440.db2.gz LURJKGQPYWBUAU-UHFFFAOYSA-N 0 3 323.462 2.356 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc(C)c(OC)c2)CC1 ZINC000078145974 401841854 /nfs/dbraw/zinc/84/18/54/401841854.db2.gz IGPLMVGCFZIBAU-UHFFFAOYSA-N 0 3 314.429 2.008 20 30 DEEDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000134774075 401913979 /nfs/dbraw/zinc/91/39/79/401913979.db2.gz NUMNARKQNHDKJK-IPYPFGDCSA-N 0 3 306.431 2.124 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729424 401959190 /nfs/dbraw/zinc/95/91/90/401959190.db2.gz ZCWVJOJFKVICNV-RHSMWYFYSA-N 0 3 300.402 2.359 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729422 401959201 /nfs/dbraw/zinc/95/92/01/401959201.db2.gz ZCWVJOJFKVICNV-WMLDXEAASA-N 0 3 300.402 2.359 20 30 DEEDHN CC1CCN(CCNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000046369811 401969214 /nfs/dbraw/zinc/96/92/14/401969214.db2.gz GOQIAHKGJDDNIX-UHFFFAOYSA-N 0 3 314.433 2.432 20 30 DEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000135595578 401946764 /nfs/dbraw/zinc/94/67/64/401946764.db2.gz UCNCHFURNRQGRV-WMZOPIPTSA-N 0 3 310.401 2.335 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000121252918 402023773 /nfs/dbraw/zinc/02/37/73/402023773.db2.gz KHNORADNMJPYIE-DLBZAZTESA-N 0 3 321.465 2.284 20 30 DEEDHN N#Cc1cc(F)c(C(=O)N2CC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000150966725 402007621 /nfs/dbraw/zinc/00/76/21/402007621.db2.gz JXKZZVLHXMGXDM-GFCCVEGCSA-N 0 3 305.328 2.147 20 30 DEEDHN C#CCOc1ccccc1CNCCCOC[C@H]1CCCO1 ZINC000066403755 402132503 /nfs/dbraw/zinc/13/25/03/402132503.db2.gz CFDQTRQEIURVJD-QGZVFWFLSA-N 0 3 303.402 2.374 20 30 DEEDHN COc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1C#N ZINC000155638354 402263785 /nfs/dbraw/zinc/26/37/85/402263785.db2.gz ULNMUFJLRAVDPH-UHFFFAOYSA-N 0 3 311.389 2.071 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(C)C)cc1 ZINC000069804604 402244136 /nfs/dbraw/zinc/24/41/36/402244136.db2.gz DXQJRRXOXCWMKK-ZDUSSCGKSA-N 0 3 309.431 2.416 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN1CCCCC1 ZINC000125067988 402211499 /nfs/dbraw/zinc/21/14/99/402211499.db2.gz DWJWBARTMCGLIU-UHFFFAOYSA-N 0 3 318.417 2.476 20 30 DEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](CO)C(C)C)c1C ZINC000156370018 402281160 /nfs/dbraw/zinc/28/11/60/402281160.db2.gz KJXFLNMWDUAKOO-MRXNPFEDSA-N 0 3 317.433 2.157 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000176822120 402340580 /nfs/dbraw/zinc/34/05/80/402340580.db2.gz RVGGROQWKZWIJD-AWEZNQCLSA-N 0 3 300.406 2.110 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000177080221 402367634 /nfs/dbraw/zinc/36/76/34/402367634.db2.gz AFGZOBJBNAGIHD-LMACKTMKSA-N 0 3 301.390 2.022 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185811033 402378692 /nfs/dbraw/zinc/37/86/92/402378692.db2.gz PGFBAQPTOSZBEZ-YDHLFZDLSA-N 0 3 321.446 2.328 20 30 DEEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cnccn1 ZINC000161696633 402396623 /nfs/dbraw/zinc/39/66/23/402396623.db2.gz BNKSUZWUBVRIPH-ZDUSSCGKSA-N 0 3 308.389 2.063 20 30 DEEDHN N#Cc1ccccc1N1CCCN(CC[C@@H]2CCOC2=O)CC1 ZINC000177655580 402423806 /nfs/dbraw/zinc/42/38/06/402423806.db2.gz ODLYNIBNLCWHIZ-OAHLLOKOSA-N 0 3 313.401 2.024 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000163008276 402438917 /nfs/dbraw/zinc/43/89/17/402438917.db2.gz GZSWPBIMKCJPCF-OAHLLOKOSA-N 0 3 311.470 2.123 20 30 DEEDHN Clc1cccc(C#CCN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000178463532 402501771 /nfs/dbraw/zinc/50/17/71/402501771.db2.gz RXVBGYWYIDXWAF-QGZVFWFLSA-N 0 3 318.848 2.346 20 30 DEEDHN COc1cccc([C@H](CNCc2cc(C#N)n(C)c2)N(C)C)c1 ZINC000189573339 402546312 /nfs/dbraw/zinc/54/63/12/402546312.db2.gz FANONOJJIALHTR-SFHVURJKSA-N 0 3 312.417 2.298 20 30 DEEDHN N#Cc1ccccc1OCCN1CCC[C@H](C2OCCO2)C1 ZINC000171140309 402560944 /nfs/dbraw/zinc/56/09/44/402560944.db2.gz KCBMATZXOJFFFN-HNNXBMFYSA-N 0 3 302.374 2.022 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C2(C)C)CC1 ZINC000178669371 402524273 /nfs/dbraw/zinc/52/42/73/402524273.db2.gz OVFBUCFAEODZSY-CVEARBPZSA-N 0 3 323.481 2.482 20 30 DEEDHN C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000170804071 402527085 /nfs/dbraw/zinc/52/70/85/402527085.db2.gz RGXXJTKLCLJDSU-KKUMJFAQSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nnc(C(F)F)s2)CC1 ZINC000171636790 402604356 /nfs/dbraw/zinc/60/43/56/402604356.db2.gz KLSXKYFRKMODJN-UHFFFAOYSA-N 0 3 317.365 2.248 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OCC)c(OC)c2)CC1 ZINC000171721599 402614207 /nfs/dbraw/zinc/61/42/07/402614207.db2.gz XDNDKMORSAWSTP-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN N#CCCCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000171733934 402615999 /nfs/dbraw/zinc/61/59/99/402615999.db2.gz RSQJHVVBUINWMO-UHFFFAOYSA-N 0 3 314.433 2.428 20 30 DEEDHN C=CC[C@H](C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181631073 402652192 /nfs/dbraw/zinc/65/21/92/402652192.db2.gz ZPDRXKINHQTASB-YOEHRIQHSA-N 0 3 317.433 2.017 20 30 DEEDHN C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)N1CCC[C@H](C)C1 ZINC000173341703 402693293 /nfs/dbraw/zinc/69/32/93/402693293.db2.gz CSPMXCHVELCURL-KBPBESRZSA-N 0 3 318.425 2.039 20 30 DEEDHN N#CCSCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000192560167 402737006 /nfs/dbraw/zinc/73/70/06/402737006.db2.gz XVNJBXUXVHCCGM-HNNXBMFYSA-N 0 3 303.431 2.196 20 30 DEEDHN CCN(CC)C(=O)CN1CCCN(CCCC(C)(C)C#N)CC1 ZINC000174818280 402759125 /nfs/dbraw/zinc/75/91/25/402759125.db2.gz KWSSTRPOXJFOMA-UHFFFAOYSA-N 0 3 322.497 2.192 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](COC)c2ccco2)CC1 ZINC000175474626 402809576 /nfs/dbraw/zinc/80/95/76/402809576.db2.gz AVIBIKZJVSNXCN-OAHLLOKOSA-N 0 3 321.421 2.307 20 30 DEEDHN N#Cc1nccnc1NCC1(N2CCSCC2)CCCC1 ZINC000263837533 402810745 /nfs/dbraw/zinc/81/07/45/402810745.db2.gz NZZVGQDGPFJVHZ-UHFFFAOYSA-N 0 3 303.435 2.122 20 30 DEEDHN C=CCOc1cccc(NC(=O)NCCN(C)CCCOC)c1 ZINC000175591200 402819810 /nfs/dbraw/zinc/81/98/10/402819810.db2.gz BAGLAUWXGKQYPT-UHFFFAOYSA-N 0 3 321.421 2.341 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000175758551 402829713 /nfs/dbraw/zinc/82/97/13/402829713.db2.gz NROCDMBRKBOMEW-QFIPXVFZSA-N 0 3 321.446 2.196 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCCN2C(C)C)n1 ZINC000279088056 402902685 /nfs/dbraw/zinc/90/26/85/402902685.db2.gz IDEDDJSGTRCZMN-KRWDZBQOSA-N 0 3 316.449 2.128 20 30 DEEDHN CN(CCOc1ccccc1Cl)CCC(=O)N(C)CCC#N ZINC000271489816 402875857 /nfs/dbraw/zinc/87/58/57/402875857.db2.gz FGHHKPIXEIQNIX-UHFFFAOYSA-N 0 3 323.824 2.413 20 30 DEEDHN N#Cc1cnc(N2CCC(CN3CCOCC3)CC2)c(Cl)c1 ZINC000265117327 402895277 /nfs/dbraw/zinc/89/52/77/402895277.db2.gz JCPJDTHEEYHUOX-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1O ZINC000272469418 402941050 /nfs/dbraw/zinc/94/10/50/402941050.db2.gz RPYRPEYCOPNBAE-PBHICJAKSA-N 0 3 310.401 2.161 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]([C@@H](C)O)C1 ZINC000272548129 402951519 /nfs/dbraw/zinc/95/15/19/402951519.db2.gz KISSMIWPSFIIGI-ZNMIVQPWSA-N 0 3 322.474 2.354 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1nccn2cnnc12)C(C)C ZINC000265427466 402917474 /nfs/dbraw/zinc/91/74/74/402917474.db2.gz LSQNQJAXUGQVDV-AWEZNQCLSA-N 0 3 300.410 2.235 20 30 DEEDHN CN(Cc1cscn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279285945 402926897 /nfs/dbraw/zinc/92/68/97/402926897.db2.gz KQCKPANULQQENV-CQSZACIVSA-N 0 3 310.382 2.356 20 30 DEEDHN CCN(CCOC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279364321 402935030 /nfs/dbraw/zinc/93/50/30/402935030.db2.gz HSPBDOWQBBQGJU-UHFFFAOYSA-N 0 3 313.405 2.327 20 30 DEEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C1(CC)CC ZINC000178667348 286287023 /nfs/dbraw/zinc/28/70/23/286287023.db2.gz XFOFBMMCDMNYTF-RRFJBIMHSA-N 0 3 309.454 2.320 20 30 DEEDHN N#Cc1ccccc1N1CCCN(CCC2OCCCO2)CC1 ZINC000267048861 403010990 /nfs/dbraw/zinc/01/09/90/403010990.db2.gz JFDSQUALXSSSKC-UHFFFAOYSA-N 0 3 315.417 2.223 20 30 DEEDHN CC(C)[C@@H](CCO)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000273961116 403028927 /nfs/dbraw/zinc/02/89/27/403028927.db2.gz GNUWHHUYBDCNTJ-DOTOQJQBSA-N 0 3 317.433 2.318 20 30 DEEDHN N#Cc1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)cn1 ZINC000273223946 402984545 /nfs/dbraw/zinc/98/45/45/402984545.db2.gz QWMHCECURWJLDO-GOSISDBHSA-N 0 3 308.385 2.132 20 30 DEEDHN CCOC[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280302646 402985625 /nfs/dbraw/zinc/98/56/25/402985625.db2.gz HHLHIQULUVQBDH-IAGOWNOFSA-N 0 3 311.385 2.126 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H](C)CCO)C(C)C ZINC000266715378 402985658 /nfs/dbraw/zinc/98/56/58/402985658.db2.gz ZXKXOJWIOLEWOH-JKSUJKDBSA-N 0 3 311.470 2.003 20 30 DEEDHN CN(C[C@H]1CCCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280874321 403045925 /nfs/dbraw/zinc/04/59/25/403045925.db2.gz LNSOWLJVINFVJX-SJORKVTESA-N 0 3 311.385 2.126 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000268194048 403060074 /nfs/dbraw/zinc/06/00/74/403060074.db2.gz WCHYTHQGQBSOBH-SUMWQHHRSA-N 0 3 312.417 2.182 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000268229887 403064253 /nfs/dbraw/zinc/06/42/53/403064253.db2.gz NETWVPNIUQJBMI-LKFCYVNXSA-N 0 3 305.328 2.049 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268252675 403066941 /nfs/dbraw/zinc/06/69/41/403066941.db2.gz QTQZMQHWJSPCBP-BBRMVZONSA-N 0 3 300.402 2.464 20 30 DEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274631270 403073139 /nfs/dbraw/zinc/07/31/39/403073139.db2.gz OZULTTQEFIETHX-GZBFAFLISA-N 0 3 321.446 2.280 20 30 DEEDHN C=C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000274679294 403078070 /nfs/dbraw/zinc/07/80/70/403078070.db2.gz WJPPSXAWCPWGEY-QGZVFWFLSA-N 0 3 301.434 2.058 20 30 DEEDHN COc1cc(CNC[C@@H]2COC3(CCCC3)O2)ccc1C#N ZINC000281714006 403084725 /nfs/dbraw/zinc/08/47/25/403084725.db2.gz OSGLXHPAQDMOER-OAHLLOKOSA-N 0 3 302.374 2.342 20 30 DEEDHN CN(C)CCN(CCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000566628020 292257471 /nfs/dbraw/zinc/25/74/71/292257471.db2.gz FSYAPMXBFOQWQC-UHFFFAOYSA-N 0 3 324.428 2.396 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000268751180 403111179 /nfs/dbraw/zinc/11/11/79/403111179.db2.gz SOQPLBHKDMUJSI-RTBURBONSA-N 0 3 308.381 2.183 20 30 DEEDHN COC(=O)COc1ccc(CN(C)CCCSCC#N)cc1 ZINC000274861835 403095336 /nfs/dbraw/zinc/09/53/36/403095336.db2.gz IFEZVPIJPLVHNH-UHFFFAOYSA-N 0 3 322.430 2.317 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000268794081 403114512 /nfs/dbraw/zinc/11/45/12/403114512.db2.gz HEJVRVAIKVCFMZ-AWEZNQCLSA-N 0 3 318.417 2.274 20 30 DEEDHN C[C@@H](COCC1CCCCC1)NC(=O)[C@H](N)CCCCC#N ZINC001354866663 1151949743 /nfs/dbraw/zinc/94/97/43/1151949743.db2.gz ZPKHAFAAOOXGFD-GOEBONIOSA-N 0 3 309.454 2.499 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccnnc1C)C(C)C ZINC000269898520 403173982 /nfs/dbraw/zinc/17/39/82/403173982.db2.gz GLPQHTOVBUPBHE-INIZCTEOSA-N 0 3 302.422 2.213 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)NC2(CCC2)C1=O)C(C)C ZINC000277532799 403227750 /nfs/dbraw/zinc/22/77/50/403227750.db2.gz YPPROYLIIBCXEJ-CQSZACIVSA-N 0 3 305.422 2.160 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3ccnc(C#N)c3)CC2)C[C@H](C)O1 ZINC000283921781 403232312 /nfs/dbraw/zinc/23/23/12/403232312.db2.gz XAENKYDSMXAXSD-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000270484551 403194903 /nfs/dbraw/zinc/19/49/03/403194903.db2.gz WWFQCRAKIPRLHD-MRXNPFEDSA-N 0 3 319.449 2.399 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cnc(N(C)C)cn1 ZINC000330626574 403293000 /nfs/dbraw/zinc/29/30/00/403293000.db2.gz VVKUBGVFPNPOTA-CYBMUJFWSA-N 0 3 305.426 2.112 20 30 DEEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)C1 ZINC000285101723 403277675 /nfs/dbraw/zinc/27/76/75/403277675.db2.gz KHDKTNVPIGVCGY-HOCLYGCPSA-N 0 3 322.430 2.034 20 30 DEEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)C1 ZINC000285101726 403278031 /nfs/dbraw/zinc/27/80/31/403278031.db2.gz 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ZINC000293960841 403609934 /nfs/dbraw/zinc/60/99/34/403609934.db2.gz KYHVHVVADFNPAD-UHFFFAOYSA-N 0 3 311.385 2.335 20 30 DEEDHN CC(C#N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000347080048 403614589 /nfs/dbraw/zinc/61/45/89/403614589.db2.gz WCXNXPXFHUMAEI-LBPRGKRZSA-N 0 3 319.792 2.174 20 30 DEEDHN COc1cc(CNC(=O)C(C)C#N)ccc1OCC(F)(F)F ZINC000347060521 403614713 /nfs/dbraw/zinc/61/47/13/403614713.db2.gz CWFOSXTZCXYYPR-VIFPVBQESA-N 0 3 316.279 2.412 20 30 DEEDHN C=CCCN(C)Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000343490894 403611402 /nfs/dbraw/zinc/61/14/02/403611402.db2.gz MRQYNTVSFSVHLK-UHFFFAOYSA-N 0 3 306.406 2.218 20 30 DEEDHN COc1cccc([C@@H](C)N2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000347127709 403616126 /nfs/dbraw/zinc/61/61/26/403616126.db2.gz FIJYHXIQBKVFIU-UONOGXRCSA-N 0 3 301.390 2.060 20 30 DEEDHN CC(C)CC(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000567042411 292284414 /nfs/dbraw/zinc/28/44/14/292284414.db2.gz CUFGLQJOXSLARR-UHFFFAOYSA-N 0 3 323.462 2.389 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1csc(Br)c1 ZINC000294013356 403624131 /nfs/dbraw/zinc/62/41/31/403624131.db2.gz PWERSXZEKPCBLC-UHFFFAOYSA-N 0 3 315.236 2.196 20 30 DEEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN(CCC(C)(C)C#N)C1 ZINC000347205864 403622110 /nfs/dbraw/zinc/62/21/10/403622110.db2.gz ODOGLMWGKGEZDB-KRWDZBQOSA-N 0 3 309.454 2.322 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc(Br)c1C ZINC000294097873 403646693 /nfs/dbraw/zinc/64/66/93/403646693.db2.gz YAESRJKRBHXLQV-UHFFFAOYSA-N 0 3 323.234 2.442 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000294048435 403633407 /nfs/dbraw/zinc/63/34/07/403633407.db2.gz TWVNSCBOHIEIEN-CJNGLKHVSA-N 0 3 320.458 2.069 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccccc1OC(F)F ZINC000294085185 403643683 /nfs/dbraw/zinc/64/36/83/403643683.db2.gz XBFKIKHNCKWAPS-MDZDMXLPSA-N 0 3 322.355 2.373 20 30 DEEDHN CCN(CCN1CCCCCC1)CC(=O)N(CC)C[C@@H](C)C#N ZINC000347299903 403654932 /nfs/dbraw/zinc/65/49/32/403654932.db2.gz ZCTAGLZFSXWJTE-KRWDZBQOSA-N 0 3 322.497 2.192 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000294187962 403668506 /nfs/dbraw/zinc/66/85/06/403668506.db2.gz QVCQYYGKJJOJFB-MANSERQUSA-N 0 3 311.429 2.264 20 30 DEEDHN N#Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301742118 403671909 /nfs/dbraw/zinc/67/19/09/403671909.db2.gz YKHXKSNJAZSVFR-AWEZNQCLSA-N 0 3 316.361 2.132 20 30 DEEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2ccccc2F)n1 ZINC000287887401 403686440 /nfs/dbraw/zinc/68/64/40/403686440.db2.gz OJDGYPIRAYAMPI-UHFFFAOYSA-N 0 3 313.380 2.364 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@](C)(O)[C@@H](C)CC)CC1 ZINC000304020597 403763626 /nfs/dbraw/zinc/76/36/26/403763626.db2.gz DEGAJFRPYRYSTE-WMLDXEAASA-N 0 3 311.470 2.123 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3CC2)cc1 ZINC000304235323 403770641 /nfs/dbraw/zinc/77/06/41/403770641.db2.gz PLAWYXRZWJVQDD-IBGZPJMESA-N 0 3 322.408 2.399 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCSC2)cc1 ZINC000288201337 403740887 /nfs/dbraw/zinc/74/08/87/403740887.db2.gz CLNFASHFNSXURG-JKSUJKDBSA-N 0 3 313.426 2.500 20 30 DEEDHN C=C(CNC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000288227231 403742061 /nfs/dbraw/zinc/74/20/61/403742061.db2.gz PQZQPDPXYBYHOK-SFHVURJKSA-N 0 3 314.429 2.459 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCCN(CC)CC2)cc1 ZINC000288402014 403747741 /nfs/dbraw/zinc/74/77/41/403747741.db2.gz KZYNLDVLLDWDBP-UHFFFAOYSA-N 0 3 317.433 2.489 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)c1nccc(C)c1C#N ZINC000341053297 403752195 /nfs/dbraw/zinc/75/21/95/403752195.db2.gz XJFGVDGNLTUNFA-UHFFFAOYSA-N 0 3 315.465 2.116 20 30 DEEDHN CN(Cc1ccccn1)[C@H]1CCCN(c2nccc(C#N)n2)CC1 ZINC000295142055 403772743 /nfs/dbraw/zinc/77/27/43/403772743.db2.gz ZQRRCTGZMGUPGM-KRWDZBQOSA-N 0 3 322.416 2.234 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000288450350 403754415 /nfs/dbraw/zinc/75/44/15/403754415.db2.gz OBBNNDPDGIFLBK-UHFFFAOYSA-N 0 3 303.406 2.099 20 30 DEEDHN Cc1nc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1C#N ZINC000341071092 403760959 /nfs/dbraw/zinc/76/09/59/403760959.db2.gz QQSBMIVDHINXGB-STQMWFEESA-N 0 3 300.406 2.254 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000341073224 403762226 /nfs/dbraw/zinc/76/22/26/403762226.db2.gz RUYHAMJAWIECCY-DVOMOZLQSA-N 0 3 300.406 2.401 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000295227559 403804459 /nfs/dbraw/zinc/80/44/59/403804459.db2.gz YWEWWNYDSBHURP-MRXNPFEDSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000305051383 403810911 /nfs/dbraw/zinc/81/09/11/403810911.db2.gz CTCILQZYZVCTPF-OAHLLOKOSA-N 0 3 320.408 2.301 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000305051382 403811487 /nfs/dbraw/zinc/81/14/87/403811487.db2.gz CTCILQZYZVCTPF-HNNXBMFYSA-N 0 3 320.408 2.301 20 30 DEEDHN Cc1cnn(-c2ccc(C(=O)C(C#N)c3ccncn3)cc2)c1 ZINC000354471672 403820440 /nfs/dbraw/zinc/82/04/40/403820440.db2.gz OLTQYACAWREZGQ-HNNXBMFYSA-N 0 3 303.325 2.461 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1C ZINC000341204694 403829687 /nfs/dbraw/zinc/82/96/87/403829687.db2.gz QCNGHXPISLNJFO-XJKSGUPXSA-N 0 3 300.406 2.182 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(C)CCC#N)C12CCCC2 ZINC000347702847 286393855 /nfs/dbraw/zinc/39/38/55/286393855.db2.gz JUDSKJMLKKQUIE-SOUVJXGZSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000295322248 403855098 /nfs/dbraw/zinc/85/50/98/403855098.db2.gz MDVXKONFBFLQTO-IBGZPJMESA-N 0 3 314.429 2.348 20 30 DEEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCNc1ccncc1 ZINC000411519096 403880154 /nfs/dbraw/zinc/88/01/54/403880154.db2.gz LDUNZAMPEMDWKJ-UHFFFAOYSA-N 0 3 322.412 2.172 20 30 DEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000354607653 403902268 /nfs/dbraw/zinc/90/22/68/403902268.db2.gz RACXHZVFEJAGEM-DZGCQCFKSA-N 0 3 321.446 2.052 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000344117816 403921623 /nfs/dbraw/zinc/92/16/23/403921623.db2.gz JGLFZKSLPDUUBE-UWVGGRQHSA-N 0 3 314.311 2.305 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000295465402 403940732 /nfs/dbraw/zinc/94/07/32/403940732.db2.gz YVTSOQMVRAMPNF-JFIYKMOQSA-N 0 3 314.429 2.052 20 30 DEEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1cnc2ccc(C#N)cn12 ZINC000344226774 403990546 /nfs/dbraw/zinc/99/05/46/403990546.db2.gz XKDPLTZYSCDWJO-LBPRGKRZSA-N 0 3 314.389 2.416 20 30 DEEDHN CN1CCC[C@H](CNc2ncc(Br)cc2C#N)C1 ZINC000311140005 403970863 /nfs/dbraw/zinc/97/08/63/403970863.db2.gz KZNDRPOQCYIGRZ-SNVBAGLBSA-N 0 3 309.211 2.469 20 30 DEEDHN CN1CCC2(CCCN2C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000352024835 404090228 /nfs/dbraw/zinc/09/02/28/404090228.db2.gz JJZMHWKCDVTKNQ-UHFFFAOYSA-N 0 3 318.808 2.307 20 30 DEEDHN N#Cc1ccccc1CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000411976583 404040928 /nfs/dbraw/zinc/04/09/28/404040928.db2.gz IRCLPLRVFXYJRZ-ZWKOTPCHSA-N 0 3 305.381 2.259 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCCC2(CCCCC2)C1 ZINC000348138292 404045597 /nfs/dbraw/zinc/04/55/97/404045597.db2.gz IBIBHQQFSLYNPO-AWEZNQCLSA-N 0 3 307.438 2.433 20 30 DEEDHN CC(C#N)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348795864 404100129 /nfs/dbraw/zinc/10/01/29/404100129.db2.gz FKGWWTOQRJFSCG-SECBINFHSA-N 0 3 301.173 2.474 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cscn2)cc1 ZINC000348367460 404063399 /nfs/dbraw/zinc/06/33/99/404063399.db2.gz RKYXREHHNPJTTQ-CQSZACIVSA-N 0 3 310.382 2.056 20 30 DEEDHN CCOC1CC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000290172234 404068156 /nfs/dbraw/zinc/06/81/56/404068156.db2.gz KTCRZHYUMBFERV-GTPINHCMSA-N 0 3 311.385 2.266 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C(=O)C3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000369496615 404117251 /nfs/dbraw/zinc/11/72/51/404117251.db2.gz NXCKCMLSNYVHDB-GASCZTMLSA-N 0 3 319.449 2.028 20 30 DEEDHN Cc1cc([C@@H]2CCCN(C(=O)NCC3(N(C)C)CCC3)C2)[nH]n1 ZINC000328743732 404142111 /nfs/dbraw/zinc/14/21/11/404142111.db2.gz ONAINQLYTMRQLO-CQSZACIVSA-N 0 3 319.453 2.296 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000412113988 404143105 /nfs/dbraw/zinc/14/31/05/404143105.db2.gz XRACZYUEVHGQHH-UYAOXDASSA-N 0 3 322.408 2.400 20 30 DEEDHN N#C[C@@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412145604 404157052 /nfs/dbraw/zinc/15/70/52/404157052.db2.gz NOSBDYGLHOJVOC-QGZVFWFLSA-N 0 3 313.401 2.037 20 30 DEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCCO1 ZINC000329060718 404214882 /nfs/dbraw/zinc/21/48/82/404214882.db2.gz ZEALBXONFCUMHB-INIZCTEOSA-N 0 3 304.390 2.410 20 30 DEEDHN CN(C)C1(CNC(=O)C(C)(C)S(=O)(=O)C2CC2)CCCC1 ZINC000328879017 404166581 /nfs/dbraw/zinc/16/65/81/404166581.db2.gz VACPKUDYVKAMPR-UHFFFAOYSA-N 0 3 316.467 2.173 20 30 DEEDHN CCOC(=O)c1cnn(C[C@H]2CCCCN2C(C)C)c1C#N ZINC000352159971 404184283 /nfs/dbraw/zinc/18/42/83/404184283.db2.gz FCZHWEOTMNUURC-CYBMUJFWSA-N 0 3 304.394 2.194 20 30 DEEDHN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000328968537 404184481 /nfs/dbraw/zinc/18/44/81/404184481.db2.gz UEHBDMAVQHBCBZ-XNRPHZJLSA-N 0 3 318.421 2.081 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCOCC3(CCC3)C2)cc1 ZINC000363885262 404239190 /nfs/dbraw/zinc/23/91/90/404239190.db2.gz IHTFIACYDWTQRW-UHFFFAOYSA-N 0 3 313.401 2.389 20 30 DEEDHN CN(CC(=O)NC1CCN(C2CC2)CC1)C1(C(N)=O)CCCC1 ZINC000329161739 404250073 /nfs/dbraw/zinc/25/00/73/404250073.db2.gz ZEZVYUMNDUYQFY-UHFFFAOYSA-N 0 3 322.453 2.350 20 30 DEEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCOCCN(C)C ZINC000349903753 404253169 /nfs/dbraw/zinc/25/31/69/404253169.db2.gz AVVHPJQTKUZVQE-UHFFFAOYSA-N 0 3 319.449 2.353 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344618725 404265076 /nfs/dbraw/zinc/26/50/76/404265076.db2.gz QBRCGFMJXUHEEA-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1c1nc(C)no1 ZINC000329226249 404272044 /nfs/dbraw/zinc/27/20/44/404272044.db2.gz HHIOIYKVFODVFH-KGLIPLIRSA-N 0 3 321.425 2.303 20 30 DEEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1Br)N(C)C ZINC000412396206 404283384 /nfs/dbraw/zinc/28/33/84/404283384.db2.gz VACQVEZXARGPBN-VIFPVBQESA-N 0 3 310.195 2.001 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296533803 404293933 /nfs/dbraw/zinc/29/39/33/404293933.db2.gz IKNMQNQRPWPVEI-UHFFFAOYSA-N 0 3 324.768 2.325 20 30 DEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329439363 404337302 /nfs/dbraw/zinc/33/73/02/404337302.db2.gz MOZLMDCNVJPGHI-YDHLFZDLSA-N 0 3 307.438 2.074 20 30 DEEDHN C=C[C@](C)(O)CC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000290759651 404301267 /nfs/dbraw/zinc/30/12/67/404301267.db2.gz OMVHMGZDBPDUFS-SFHVURJKSA-N 0 3 317.433 2.094 20 30 DEEDHN Cc1noc(C)c1CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329326337 404303834 /nfs/dbraw/zinc/30/38/34/404303834.db2.gz UDDXIJMGDIGIDT-HNNXBMFYSA-N 0 3 320.437 2.308 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344686637 404305344 /nfs/dbraw/zinc/30/53/44/404305344.db2.gz BLNOYCHDBSSDND-OIISXLGYSA-N 0 3 306.450 2.300 20 30 DEEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000567435261 292312839 /nfs/dbraw/zinc/31/28/39/292312839.db2.gz QOCJIJUKRPZEHJ-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN CC(C)N(CCN(C)S(=O)(=O)CCCCC#N)C(C)C ZINC000355804155 404368885 /nfs/dbraw/zinc/36/88/85/404368885.db2.gz ZENAPZKUJKCDLG-UHFFFAOYSA-N 0 3 303.472 2.061 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291262331 404378065 /nfs/dbraw/zinc/37/80/65/404378065.db2.gz NARASOCSWCXLNE-HNNXBMFYSA-N 0 3 323.387 2.486 20 30 DEEDHN C[C@@H]1CSC[C@@H]1N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296934725 404379426 /nfs/dbraw/zinc/37/94/26/404379426.db2.gz SMWLIDWXFUCJLE-KCXAZCMYSA-N 0 3 315.442 2.000 20 30 DEEDHN CC(C(=O)NC1CCCCC1)S(=O)(=O)[C@@H]1CCCOC1 ZINC000329589970 404385417 /nfs/dbraw/zinc/38/54/17/404385417.db2.gz ZMJZPEFNCLWECL-DGCLKSJQSA-N 0 3 303.424 2.258 20 30 DEEDHN CC#CCN(C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000296974919 404396619 /nfs/dbraw/zinc/39/66/19/404396619.db2.gz SRDXHDCFALRYCV-UHFFFAOYSA-N 0 3 303.406 2.422 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(O)cc2)cc1 ZINC000350481145 404399370 /nfs/dbraw/zinc/39/93/70/404399370.db2.gz QWQXIPPGXCCOAH-INIZCTEOSA-N 0 3 305.337 2.263 20 30 DEEDHN Cc1nnc2n1C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)CC2 ZINC000329629308 404399827 /nfs/dbraw/zinc/39/98/27/404399827.db2.gz HMIZWTBRRGPTSZ-CXTNEJHOSA-N 0 3 319.453 2.367 20 30 DEEDHN CC[C@@H](N[C@@H](CCSC)C(=O)NC)c1ccc(C#N)cc1 ZINC000352494930 404411666 /nfs/dbraw/zinc/41/16/66/404411666.db2.gz HBKKWIBOGKBXQL-CABCVRRESA-N 0 3 305.447 2.467 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)N1CCCCC1 ZINC000329692477 404426078 /nfs/dbraw/zinc/42/60/78/404426078.db2.gz WLYLEMITAPXZTI-GDBMZVCRSA-N 0 3 309.454 2.463 20 30 DEEDHN O=C(NCc1ccc2ncccc2c1)N[C@@H]1CCN(C2CC2)C1 ZINC000329922797 404496645 /nfs/dbraw/zinc/49/66/45/404496645.db2.gz UDZFQBWXNUYMKD-OAHLLOKOSA-N 0 3 310.401 2.475 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)c2csc(=O)[nH]2)CC1 ZINC000329980240 404514112 /nfs/dbraw/zinc/51/41/12/404514112.db2.gz KYPHOSIZLQMTIN-UHFFFAOYSA-N 0 3 313.423 2.043 20 30 DEEDHN C[C@]1(C(N)=O)CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000329998363 404521222 /nfs/dbraw/zinc/52/12/22/404521222.db2.gz SDEBDQCTVFBBGZ-CJNGLKHVSA-N 0 3 308.426 2.165 20 30 DEEDHN C[C@]1(C(N)=O)CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000329998362 404522038 /nfs/dbraw/zinc/52/20/38/404522038.db2.gz SDEBDQCTVFBBGZ-BBRMVZONSA-N 0 3 308.426 2.165 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000350730911 404453154 /nfs/dbraw/zinc/45/31/54/404453154.db2.gz WHEGZASCFNYOIA-KBPBESRZSA-N 0 3 303.454 2.336 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)NCCc1cn2c(n1)SCC2 ZINC000329816324 404459854 /nfs/dbraw/zinc/45/98/54/404459854.db2.gz VVIWBRXPGKAVTJ-CYBMUJFWSA-N 0 3 308.451 2.362 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2nnc(C(C)C)s2)CC1 ZINC000329837527 404466665 /nfs/dbraw/zinc/46/66/65/404466665.db2.gz MWCABFZXVMMGIV-UHFFFAOYSA-N 0 3 323.466 2.316 20 30 DEEDHN CC(C)NC(=O)[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000414351645 404586848 /nfs/dbraw/zinc/58/68/48/404586848.db2.gz VYJXMKJNGTXZLG-AWEZNQCLSA-N 0 3 314.433 2.030 20 30 DEEDHN CCCNC(=O)[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000330207419 404586818 /nfs/dbraw/zinc/58/68/18/404586818.db2.gz AGVAIWFWAJCPDT-HNNXBMFYSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1CCN(c2nccn2C)CC1 ZINC000330049044 404537789 /nfs/dbraw/zinc/53/77/89/404537789.db2.gz JBCPSKIFPYCFPN-OKILXGFUSA-N 0 3 319.453 2.218 20 30 DEEDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000414188250 404541402 /nfs/dbraw/zinc/54/14/02/404541402.db2.gz QILPADPNDQJCAM-OZVIIMIRSA-N 0 3 301.390 2.288 20 30 DEEDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000414188249 404542023 /nfs/dbraw/zinc/54/20/23/404542023.db2.gz QILPADPNDQJCAM-MKBNYLNASA-N 0 3 301.390 2.288 20 30 DEEDHN CCN1CCN([C@@H]2CCN(c3cccc(Cl)c3C#N)C2)CC1 ZINC000297327225 404553762 /nfs/dbraw/zinc/55/37/62/404553762.db2.gz ZWXFBCYROPCOGF-CQSZACIVSA-N 0 3 318.852 2.428 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2C(=O)NCCN2CCCCC2)cnn1C ZINC000330267996 404606760 /nfs/dbraw/zinc/60/67/60/404606760.db2.gz IKKKHBDVTONOHN-HOCLYGCPSA-N 0 3 320.437 2.249 20 30 DEEDHN C[C@@H]1CSC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000352800786 404633332 /nfs/dbraw/zinc/63/33/32/404633332.db2.gz IJYHWGJFKFIPOW-RNCFNFMXSA-N 0 3 309.822 2.491 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H](O)C23CCCC3)C1 ZINC000330362084 404637839 /nfs/dbraw/zinc/63/78/39/404637839.db2.gz ZCXPMGNNPMRYSU-ILXRZTDVSA-N 0 3 309.454 2.009 20 30 DEEDHN C=CCc1cc(CN[C@H](CO)[C@@H]2CCCOC2)cc(OC)c1O ZINC000414554090 404677900 /nfs/dbraw/zinc/67/79/00/404677900.db2.gz LHTKWICSQLBYGR-HZPDHXFCSA-N 0 3 321.417 2.006 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)nc1 ZINC000357535554 404737214 /nfs/dbraw/zinc/73/72/14/404737214.db2.gz SIWWOIWMWFPMPD-JSGCOSHPSA-N 0 3 300.406 2.035 20 30 DEEDHN Cc1cc(CNCC2(S(C)(=O)=O)CCCC2)ccc1C#N ZINC000353100347 404742705 /nfs/dbraw/zinc/74/27/05/404742705.db2.gz UEPRXOMIYFYDJL-UHFFFAOYSA-N 0 3 306.431 2.314 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000357795121 404743527 /nfs/dbraw/zinc/74/35/27/404743527.db2.gz JICHHXIIWPLQFT-ZFWWWQNUSA-N 0 3 314.389 2.349 20 30 DEEDHN CC(C#N)C(=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC000358336544 404760151 /nfs/dbraw/zinc/76/01/51/404760151.db2.gz JCQCFFVJLOFRMM-SNVBAGLBSA-N 0 3 300.280 2.446 20 30 DEEDHN CN1C[C@H](NC(=O)c2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000375887127 404765731 /nfs/dbraw/zinc/76/57/31/404765731.db2.gz BEAOANKGWHWUJB-ROUUACIJSA-N 0 3 305.381 2.386 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000375907700 404770165 /nfs/dbraw/zinc/77/01/65/404770165.db2.gz STLFIGLYJQWJPU-ROUUACIJSA-N 0 3 322.412 2.142 20 30 DEEDHN CO[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366339516 404786989 /nfs/dbraw/zinc/78/69/89/404786989.db2.gz LDHMLOCHFZNYLV-IRXDYDNUSA-N 0 3 311.385 2.268 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415023465 404789355 /nfs/dbraw/zinc/78/93/55/404789355.db2.gz MXHMWQRYQJQLFI-RYUDHWBXSA-N 0 3 302.378 2.171 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)CC1CCC1 ZINC000359354820 404790932 /nfs/dbraw/zinc/79/09/32/404790932.db2.gz YNSWVHSGHJDKHE-IAGOWNOFSA-N 0 3 300.402 2.426 20 30 DEEDHN CO[C@@]1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000366449163 404793313 /nfs/dbraw/zinc/79/33/13/404793313.db2.gz FIOCYNSLIBCTOG-SFHVURJKSA-N 0 3 315.417 2.065 20 30 DEEDHN COc1cccc(CN(CCN(C)C)C(=O)CCCC#N)c1 ZINC000360488720 404828885 /nfs/dbraw/zinc/82/88/85/404828885.db2.gz KDMUFJNZTVNWDU-UHFFFAOYSA-N 0 3 303.406 2.279 20 30 DEEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccccc1CNC ZINC000415243732 404832437 /nfs/dbraw/zinc/83/24/37/404832437.db2.gz QXXZOTNNDBZLJI-UHFFFAOYSA-N 0 3 303.406 2.063 20 30 DEEDHN N#CCC1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000366773030 404845615 /nfs/dbraw/zinc/84/56/15/404845615.db2.gz SWMOCDGFGUZKBV-HNNXBMFYSA-N 0 3 304.438 2.340 20 30 DEEDHN C=CCC[C@H](C)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000451209634 404903745 /nfs/dbraw/zinc/90/37/45/404903745.db2.gz QNXJKGDOIVMMLP-RBZFPXEDSA-N 0 3 301.452 2.117 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](CO)(C(C)C)C2)CC1 ZINC000378046978 404857931 /nfs/dbraw/zinc/85/79/31/404857931.db2.gz CAXZPMLWLPHPEV-GOSISDBHSA-N 0 3 323.481 2.077 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2(CCOC)CCC2)CC1 ZINC000353726548 404941923 /nfs/dbraw/zinc/94/19/23/404941923.db2.gz VDRDXYIMDLUEST-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN CN(CCCOc1ccc(F)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424096415 405004634 /nfs/dbraw/zinc/00/46/34/405004634.db2.gz PBQXOHYKUDWROJ-HNNXBMFYSA-N 0 3 307.369 2.074 20 30 DEEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccc(OC)c(OC)c1 ZINC000424098434 405004755 /nfs/dbraw/zinc/00/47/55/405004755.db2.gz SWIFMJYQNIAKPF-CYBMUJFWSA-N 0 3 305.378 2.078 20 30 DEEDHN Cc1cccc(C)c1OCCCNC(=O)[C@H](N)CCCC#N ZINC000424099672 405006164 /nfs/dbraw/zinc/00/61/64/405006164.db2.gz GDIQLUYDIANEEA-OAHLLOKOSA-N 0 3 303.406 2.210 20 30 DEEDHN Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424103496 405006876 /nfs/dbraw/zinc/00/68/76/405006876.db2.gz QSYORFWYQPOGOG-LSDHHAIUSA-N 0 3 303.406 2.208 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000451599607 405013977 /nfs/dbraw/zinc/01/39/77/405013977.db2.gz PCCHJNOXLHSXKN-SQNIBIBYSA-N 0 3 314.429 2.456 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(-n2cccn2)cc1 ZINC000424131163 405017226 /nfs/dbraw/zinc/01/72/26/405017226.db2.gz VYYWWLUVZWWPFR-XJKSGUPXSA-N 0 3 311.389 2.071 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451704658 405017392 /nfs/dbraw/zinc/01/73/92/405017392.db2.gz KVCRFZBZJLPIER-HZMVEIRTSA-N 0 3 308.466 2.282 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000424141133 405019852 /nfs/dbraw/zinc/01/98/52/405019852.db2.gz GVMTWSVMAKMACS-KRWDZBQOSA-N 0 3 308.385 2.386 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000424173179 405029629 /nfs/dbraw/zinc/02/96/29/405029629.db2.gz NTTQBKOSVWDYKG-RRFJBIMHSA-N 0 3 321.808 2.307 20 30 DEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1OC ZINC000451787887 405038148 /nfs/dbraw/zinc/03/81/48/405038148.db2.gz TZVCIYAWCFUAOV-CABCVRRESA-N 0 3 302.374 2.388 20 30 DEEDHN CCCOc1ccc2c(c1)CCN(C(=O)[C@H](N)CCCC#N)C2 ZINC000424175887 405030847 /nfs/dbraw/zinc/03/08/47/405030847.db2.gz RBNXLZFKJZJRBQ-QGZVFWFLSA-N 0 3 315.417 2.381 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCSCc1ccccc1F ZINC000424062599 404990175 /nfs/dbraw/zinc/99/01/75/404990175.db2.gz HCAWPVUSUCNNEV-CQSZACIVSA-N 0 3 309.410 2.196 20 30 DEEDHN COc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C2CC2)cc1 ZINC000424062046 404990210 /nfs/dbraw/zinc/99/02/10/404990210.db2.gz KFBYBYIPHZXEHZ-JKSUJKDBSA-N 0 3 301.390 2.284 20 30 DEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1Cl ZINC000424084683 405000218 /nfs/dbraw/zinc/00/02/18/405000218.db2.gz FFKVKDMWVORJQL-DGCLKSJQSA-N 0 3 309.797 2.245 20 30 DEEDHN COc1cc(C)c([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424087354 405000863 /nfs/dbraw/zinc/00/08/63/405000863.db2.gz FRVPCUYDSDKJAV-GXTWGEPZSA-N 0 3 319.405 2.211 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCN(C)[C@@H](c3ccccc3)C2)nn1 ZINC000424295960 405061528 /nfs/dbraw/zinc/06/15/28/405061528.db2.gz NWJFSZXEADLHJC-FUHWJXTLSA-N 0 3 311.433 2.389 20 30 DEEDHN C#C[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000367527363 405073884 /nfs/dbraw/zinc/07/38/84/405073884.db2.gz NJSMNSKTNNMKSS-ZFWWWQNUSA-N 0 3 306.356 2.282 20 30 DEEDHN C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)CN1 ZINC000417915531 405103936 /nfs/dbraw/zinc/10/39/36/405103936.db2.gz MDVUZMOAWDUTCU-IIAWOOMASA-N 0 3 300.406 2.423 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418358540 405123999 /nfs/dbraw/zinc/12/39/99/405123999.db2.gz RPCHGOFPOJJNFD-IAGOWNOFSA-N 0 3 319.449 2.436 20 30 DEEDHN C[C@H](C#N)S(=O)(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000416377190 405124947 /nfs/dbraw/zinc/12/49/47/405124947.db2.gz WVUCRSQFBWKOAY-CQSZACIVSA-N 0 3 313.467 2.007 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000452036376 405134645 /nfs/dbraw/zinc/13/46/45/405134645.db2.gz QCDOWXADHVYWLD-IAGOWNOFSA-N 0 3 315.417 2.112 20 30 DEEDHN C=CCCC[C@@H](C)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452059567 405144949 /nfs/dbraw/zinc/14/49/49/405144949.db2.gz ZUYDCBRGSQZZGP-CABCVRRESA-N 0 3 304.438 2.311 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000361649162 405181255 /nfs/dbraw/zinc/18/12/55/405181255.db2.gz XWJCQDIGYPRIIV-UHFFFAOYSA-N 0 3 305.397 2.312 20 30 DEEDHN N#Cc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000439453040 405279414 /nfs/dbraw/zinc/27/94/14/405279414.db2.gz NNWWPFYIYXUCNO-HNNXBMFYSA-N 0 3 319.836 2.366 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000439619276 405286566 /nfs/dbraw/zinc/28/65/66/405286566.db2.gz QSCXXWDDGWNDRG-JJXSEGSLSA-N 0 3 306.450 2.369 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)NCC2(C#N)CCC2)c1 ZINC000419441440 405250341 /nfs/dbraw/zinc/25/03/41/405250341.db2.gz QKTJWWVVWYWZQG-UHFFFAOYSA-N 0 3 300.406 2.241 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419516830 405254209 /nfs/dbraw/zinc/25/42/09/405254209.db2.gz VEDMFOGLGLJKBL-BLLLJJGKSA-N 0 3 300.406 2.185 20 30 DEEDHN CN(C)C[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccc(F)cc1 ZINC000419625886 405260525 /nfs/dbraw/zinc/26/05/25/405260525.db2.gz BSOQTHIMAYQNTJ-OAHLLOKOSA-N 0 3 318.396 2.421 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(OC)CCCC2)CC1 ZINC000454454036 405347589 /nfs/dbraw/zinc/34/75/89/405347589.db2.gz ABVAEUDRCSVTGV-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN C[C@@](C#N)(NC(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1)C1CC1 ZINC000428191675 405422012 /nfs/dbraw/zinc/42/20/12/405422012.db2.gz YSVZYOVBKSUOIL-KGKJWKRHSA-N 0 3 301.434 2.163 20 30 DEEDHN Cc1nnc(CCNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000426492132 405363883 /nfs/dbraw/zinc/36/38/83/405363883.db2.gz NUGWPNCZSTXOQH-AWEZNQCLSA-N 0 3 314.414 2.278 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](O)CC[C@H]1C ZINC000421019170 405431498 /nfs/dbraw/zinc/43/14/98/405431498.db2.gz NHUWLFFOKJPHJT-HYVNUMGLSA-N 0 3 305.418 2.000 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](CCO)CC1 ZINC000421032323 405436937 /nfs/dbraw/zinc/43/69/37/405436937.db2.gz FDTBFAMAINYQSN-CVEARBPZSA-N 0 3 321.465 2.202 20 30 DEEDHN CN(C(=O)CN1CCC[C@@H](CCO)CC1)C1(C#N)CCCCC1 ZINC000421041505 405438581 /nfs/dbraw/zinc/43/85/81/405438581.db2.gz OTKHRQSSJWXICA-MRXNPFEDSA-N 0 3 321.465 2.156 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@](COC)(C(=O)OC)C2)c1 ZINC000449450756 405567049 /nfs/dbraw/zinc/56/70/49/405567049.db2.gz HBPCGHPFTPJSDJ-GOSISDBHSA-N 0 3 319.401 2.263 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)s1 ZINC000577884177 405532764 /nfs/dbraw/zinc/53/27/64/405532764.db2.gz DZEWXFBZUWGQQQ-KRWDZBQOSA-N 0 3 311.410 2.249 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000556812911 405538307 /nfs/dbraw/zinc/53/83/07/405538307.db2.gz UYGKBGXURXNPNO-CQSZACIVSA-N 0 3 300.406 2.112 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000580419271 405610818 /nfs/dbraw/zinc/61/08/18/405610818.db2.gz YYZWPZPXLKTCOK-KDOFPFPSSA-N 0 3 317.408 2.370 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H](C2CC2)C1 ZINC000528433031 405603753 /nfs/dbraw/zinc/60/37/53/405603753.db2.gz QXTAPYKZQXPBEC-HNNXBMFYSA-N 0 3 308.381 2.018 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCCC1(C)C ZINC000457081463 405685952 /nfs/dbraw/zinc/68/59/52/405685952.db2.gz VSAISDWRZYOIOH-AWEZNQCLSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1CCN[C@@H]1C(=O)OCC ZINC000423176179 405712176 /nfs/dbraw/zinc/71/21/76/405712176.db2.gz FOJKJXYQOYEVRA-IKGGRYGDSA-N 0 3 302.418 2.057 20 30 DEEDHN C=CC(C)(C)C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000450129901 405750174 /nfs/dbraw/zinc/75/01/74/405750174.db2.gz BFHLYFVLQPOWAF-AWEZNQCLSA-N 0 3 306.406 2.139 20 30 DEEDHN N#CCC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000583984180 405801757 /nfs/dbraw/zinc/80/17/57/405801757.db2.gz CQPOUNXDGSOXIX-KRWDZBQOSA-N 0 3 312.417 2.209 20 30 DEEDHN CCOC[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000529892709 405769991 /nfs/dbraw/zinc/76/99/91/405769991.db2.gz CKJLBTJAVPCPFS-DLBZAZTESA-N 0 3 316.401 2.023 20 30 DEEDHN CC(C#N)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000495302394 405869447 /nfs/dbraw/zinc/86/94/47/405869447.db2.gz PYOZYEIRGPZCMI-WBMJQRKESA-N 0 3 309.410 2.299 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495635361 405928168 /nfs/dbraw/zinc/92/81/68/405928168.db2.gz RINVIMUKMIZPHI-GXTWGEPZSA-N 0 3 307.394 2.196 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCOCCC#N)CC[C@@H]21 ZINC000495660714 405929920 /nfs/dbraw/zinc/92/99/20/405929920.db2.gz CERKEADYVZDHEE-GJZGRUSLSA-N 0 3 323.437 2.248 20 30 DEEDHN N#CCCOCCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495662984 405930244 /nfs/dbraw/zinc/93/02/44/405930244.db2.gz YTMCFOUVELASMI-MRXNPFEDSA-N 0 3 323.437 2.440 20 30 DEEDHN CN(CCNC(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619759487 405932212 /nfs/dbraw/zinc/93/22/12/405932212.db2.gz NPYVTEXODLYHDI-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000495836843 405936133 /nfs/dbraw/zinc/93/61/33/405936133.db2.gz PGQBOBRTBSSCNJ-OLZOCXBDSA-N 0 3 309.410 2.442 20 30 DEEDHN CN(C)CC(C)(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000459544641 405949564 /nfs/dbraw/zinc/94/95/64/405949564.db2.gz DVJUUWFOHBINMZ-UHFFFAOYSA-N 0 3 308.813 2.080 20 30 DEEDHN COc1ncccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433219139 405902697 /nfs/dbraw/zinc/90/26/97/405902697.db2.gz GRDOFCGJUNXYSQ-HNNXBMFYSA-N 0 3 309.369 2.479 20 30 DEEDHN CCCN(CC(=O)N(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000433308510 405918538 /nfs/dbraw/zinc/91/85/38/405918538.db2.gz YVYVHYFYKVOTAB-MRXNPFEDSA-N 0 3 315.417 2.086 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@H](C)NC[C@H](C#N)CCC#N)C1 ZINC000495542595 405922221 /nfs/dbraw/zinc/92/22/21/405922221.db2.gz PHDSWAWQWWKIDI-KKUMJFAQSA-N 0 3 306.410 2.277 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450597247 405970860 /nfs/dbraw/zinc/97/08/60/405970860.db2.gz MWVPKZRXEJEJHN-UHFFFAOYSA-N 0 3 307.482 2.075 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCNC(=O)CC1 ZINC000450982514 406008813 /nfs/dbraw/zinc/00/88/13/406008813.db2.gz LSJFPBCJCUZNAE-CQSZACIVSA-N 0 3 306.406 2.066 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CN1C1CC1 ZINC000566852241 406092488 /nfs/dbraw/zinc/09/24/88/406092488.db2.gz BNLKGQZNMPOXDQ-ZFWWWQNUSA-N 0 3 304.438 2.337 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000565064666 406070134 /nfs/dbraw/zinc/07/01/34/406070134.db2.gz LVDVOVQMCIVGBM-WMLDXEAASA-N 0 3 300.406 2.110 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000565541471 406073000 /nfs/dbraw/zinc/07/30/00/406073000.db2.gz SNNJFZLVSYQVDX-ZIFCJYIRSA-N 0 3 314.429 2.358 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(C#N)cc1Cl ZINC000516956151 406116529 /nfs/dbraw/zinc/11/65/29/406116529.db2.gz BUESGCLNKJDXKU-OLZOCXBDSA-N 0 3 318.808 2.305 20 30 DEEDHN C=CCCN1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000639808299 406263579 /nfs/dbraw/zinc/26/35/79/406263579.db2.gz VIPALKBJHGRJMJ-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809782 406264564 /nfs/dbraw/zinc/26/45/64/406264564.db2.gz OQJOFICXWAVAAP-CQSZACIVSA-N 0 3 310.463 2.148 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1cccn1C ZINC000570081928 406342110 /nfs/dbraw/zinc/34/21/10/406342110.db2.gz NXVGUURQGIOPBC-KRWDZBQOSA-N 0 3 300.402 2.283 20 30 DEEDHN CN(CCNC(=O)N1CCC(CC#N)CC1)Cc1ccccc1 ZINC000541913946 406301261 /nfs/dbraw/zinc/30/12/61/406301261.db2.gz DAZSSPBLQMCRCS-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN C#C[C@@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC000490630588 406477094 /nfs/dbraw/zinc/47/70/94/406477094.db2.gz RFFHROWCJDJSOG-GOSISDBHSA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](C)NCC)cc(OC)c1OC ZINC000637967291 406500544 /nfs/dbraw/zinc/50/05/44/406500544.db2.gz NZSGVNAWCFCMQM-GFCCVEGCSA-N 0 3 306.406 2.047 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640565107 406546123 /nfs/dbraw/zinc/54/61/23/406546123.db2.gz YEMHKKIYFXVTCT-KKUMJFAQSA-N 0 3 317.351 2.438 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640565108 406546367 /nfs/dbraw/zinc/54/63/67/406546367.db2.gz YEMHKKIYFXVTCT-RRFJBIMHSA-N 0 3 317.351 2.438 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000491228596 406549196 /nfs/dbraw/zinc/54/91/96/406549196.db2.gz AXWWJRFDNDONOR-AZUAARDMSA-N 0 3 310.441 2.352 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccc(F)cc1 ZINC000491276637 406559753 /nfs/dbraw/zinc/55/97/53/406559753.db2.gz KMXHKVKFMVKJFY-CZUORRHYSA-N 0 3 303.381 2.141 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000491294323 406562575 /nfs/dbraw/zinc/56/25/75/406562575.db2.gz AZUYDCZLXRRXQH-UHFFFAOYSA-N 0 3 323.481 2.225 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)cc1 ZINC000491297757 406563589 /nfs/dbraw/zinc/56/35/89/406563589.db2.gz RZDWVLRKXDPLMU-MJEQTWJJSA-N 0 3 315.392 2.424 20 30 DEEDHN C#CCN(C(=O)NCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000491314472 406566450 /nfs/dbraw/zinc/56/64/50/406566450.db2.gz GWQIALDMWWTZAW-UHFFFAOYSA-N 0 3 312.417 2.105 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000490897639 406504484 /nfs/dbraw/zinc/50/44/84/406504484.db2.gz DJIAVHPWCMSBFY-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CSc2ccccc21 ZINC000491620146 406633648 /nfs/dbraw/zinc/63/36/48/406633648.db2.gz BSUPQULSLKNROQ-AWEZNQCLSA-N 0 3 317.458 2.130 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000569218324 292398493 /nfs/dbraw/zinc/39/84/93/292398493.db2.gz ZJWXDIBZWVINDI-NVXWUHKLSA-N 0 3 313.401 2.388 20 30 DEEDHN C#C[C@H](NC(=O)NC1CCN(CC=C)CC1)c1ccc(F)cc1 ZINC000491347843 406573338 /nfs/dbraw/zinc/57/33/38/406573338.db2.gz AIOQNVBAITZEKI-KRWDZBQOSA-N 0 3 315.392 2.450 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ocnc2C(F)(F)F)CC1 ZINC000635531171 406577465 /nfs/dbraw/zinc/57/74/65/406577465.db2.gz PTQSSYGMXZQTIM-UHFFFAOYSA-N 0 3 317.311 2.464 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000551954466 406659371 /nfs/dbraw/zinc/65/93/71/406659371.db2.gz WOTFSARYRNJXPQ-UHFFFAOYSA-N 0 3 300.406 2.114 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000491811140 406731628 /nfs/dbraw/zinc/73/16/28/406731628.db2.gz KVHYAKBJLQCEIB-CVEARBPZSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccccc2OC)CC1 ZINC000491909705 406773243 /nfs/dbraw/zinc/77/32/43/406773243.db2.gz BZJNHNGIIBRNAM-MDZDMXLPSA-N 0 3 312.413 2.312 20 30 DEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\CN(C)C ZINC000491865578 406753513 /nfs/dbraw/zinc/75/35/13/406753513.db2.gz HSOCUFOJBUMXBE-TWGQIWQCSA-N 0 3 303.362 2.227 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)c2ccccc2CN(C)C)n1 ZINC000491807585 406729683 /nfs/dbraw/zinc/72/96/83/406729683.db2.gz SWGWZHUSIFWERW-UHFFFAOYSA-N 0 3 324.428 2.240 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cccc(F)c2)cc1 ZINC000573397043 406773306 /nfs/dbraw/zinc/77/33/06/406773306.db2.gz VHJQYZWAMGZSCK-KRWDZBQOSA-N 0 3 314.360 2.421 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@H]3CN(C)C[C@@H]32)c1C ZINC000644735124 407176876 /nfs/dbraw/zinc/17/68/76/407176876.db2.gz QRDPIHAQALHOEV-RDJZCZTQSA-N 0 3 301.434 2.110 20 30 DEEDHN N#Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000570449009 292484016 /nfs/dbraw/zinc/48/40/16/292484016.db2.gz JKGLCUPVLNKAHM-UHFFFAOYSA-N 0 3 313.405 2.435 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001422988525 1173001309 /nfs/dbraw/zinc/00/13/09/1173001309.db2.gz ZFKKRGSLRWUBAV-DZGCQCFKSA-N 0 3 324.856 2.413 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000129144812 196022572 /nfs/dbraw/zinc/02/25/72/196022572.db2.gz PWHDGAZVJFVESC-UHFFFAOYSA-N 0 3 323.343 2.009 20 30 DEEDHN Cc1c(Cl)cnc(N[C@@H](CO)CN2CCCCC2)c1C#N ZINC000295637096 225072538 /nfs/dbraw/zinc/07/25/38/225072538.db2.gz CXKDXEWYEIUGBQ-GFCCVEGCSA-N 0 3 308.813 2.174 20 30 DEEDHN O=C(NCC#Cc1cccc(F)c1)C1CCN(C2CC2)CC1 ZINC000338241391 226158211 /nfs/dbraw/zinc/15/82/11/226158211.db2.gz PISPCWCSMIWBMA-UHFFFAOYSA-N 0 3 300.377 2.168 20 30 DEEDHN C[C@H]1C[C@H](N(C)C(=O)NCC#Cc2cccc(F)c2)CCN1C ZINC000338728838 226169360 /nfs/dbraw/zinc/16/93/60/226169360.db2.gz UXMVIMWNFUKXMV-WMLDXEAASA-N 0 3 317.408 2.301 20 30 DEEDHN Cc1nc(NCCCN2CCC(O)CC2)c(Cl)cc1C#N ZINC000290895832 222001682 /nfs/dbraw/zinc/00/16/82/222001682.db2.gz DKTCPCDWEQAPCP-UHFFFAOYSA-N 0 3 308.813 2.174 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000291046973 222096211 /nfs/dbraw/zinc/09/62/11/222096211.db2.gz LUDFGWFBIOFFGZ-KDOFPFPSSA-N 0 3 317.433 2.050 20 30 DEEDHN C#CCN(C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000291306057 222301123 /nfs/dbraw/zinc/30/11/23/222301123.db2.gz QGRHDDVQYIITOK-QGZVFWFLSA-N 0 3 317.433 2.351 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C(=O)CC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000377754184 227200593 /nfs/dbraw/zinc/20/05/93/227200593.db2.gz PLPZNHVAEWIXRC-GASCZTMLSA-N 0 3 321.465 2.274 20 30 DEEDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000416661651 228877864 /nfs/dbraw/zinc/87/78/64/228877864.db2.gz MYAOJXUNSLQEKV-UHFFFAOYSA-N 0 3 321.446 2.053 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000491418279 421197864 /nfs/dbraw/zinc/19/78/64/421197864.db2.gz QKHBQGXFCYSZSY-ZDUSSCGKSA-N 0 3 303.410 2.073 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C3CC3)nn2)CC1 ZINC000330064782 424908192 /nfs/dbraw/zinc/90/81/92/424908192.db2.gz RJRDTABMYHERDP-UHFFFAOYSA-N 0 3 315.421 2.720 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC000648773441 424904250 /nfs/dbraw/zinc/90/42/50/424904250.db2.gz JYWZNEJAVLMSAA-CQSZACIVSA-N 0 3 304.438 2.163 20 30 DEEDHN CN[C@@H](CC(C)(C)C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593916087 425009410 /nfs/dbraw/zinc/00/94/10/425009410.db2.gz GGMLKRJYYGLBMD-AWEZNQCLSA-N 0 3 313.405 2.706 20 30 DEEDHN C=CCC1(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCCCC1 ZINC000649069691 424950940 /nfs/dbraw/zinc/95/09/40/424950940.db2.gz XXKHBLDYBOFSSB-OAHLLOKOSA-N 0 3 321.465 2.091 20 30 DEEDHN N#Cc1cc(NCC2CCN(Cc3cccs3)CC2)ncn1 ZINC000578010228 424955984 /nfs/dbraw/zinc/95/59/84/424955984.db2.gz RMGVQGCJUFMKJJ-UHFFFAOYSA-N 0 3 313.430 2.734 20 30 DEEDHN CCCCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000341920282 424958546 /nfs/dbraw/zinc/95/85/46/424958546.db2.gz QETLQTQRVOLIMB-AWEZNQCLSA-N 0 3 317.393 2.928 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)n(C(C)C)n2)CC1 ZINC000421173965 424979218 /nfs/dbraw/zinc/97/92/18/424979218.db2.gz YEECODOORFOURQ-UHFFFAOYSA-N 0 3 319.453 2.934 20 30 DEEDHN CCN(CC)[C@@H](CNc1cc(C#N)cnn1)c1ccsc1 ZINC000596075014 425016491 /nfs/dbraw/zinc/01/64/91/425016491.db2.gz VBCMYQFTXZJRLG-AWEZNQCLSA-N 0 3 301.419 2.905 20 30 DEEDHN COc1cccc([C@H](CNc2cc(C#N)cnn2)N2CCCC2)c1 ZINC000596060971 425017000 /nfs/dbraw/zinc/01/70/00/425017000.db2.gz ZCCWGTGYIGYOOG-KRWDZBQOSA-N 0 3 323.400 2.606 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H]1CCCOC1 ZINC000352232561 425044394 /nfs/dbraw/zinc/04/43/94/425044394.db2.gz VOXALSNTOGDCLA-IRXDYDNUSA-N 0 3 305.418 2.266 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](OC(C)C)C2)CC1 ZINC000650853026 425066693 /nfs/dbraw/zinc/06/66/93/425066693.db2.gz ZATOCRMLTVZCJS-INIZCTEOSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000650030026 425112552 /nfs/dbraw/zinc/11/25/52/425112552.db2.gz ZOQLAXAIGLPWHK-PLENUKSMSA-N 0 3 304.434 2.005 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000651725749 425144812 /nfs/dbraw/zinc/14/48/12/425144812.db2.gz NSJQANDAVAIKQL-HGTKMLMNSA-N 0 3 302.422 2.248 20 30 DEEDHN C=CCC1(NC(=O)NC2CCN(CCOC)CC2)CCCC1 ZINC000663824304 425243929 /nfs/dbraw/zinc/24/39/29/425243929.db2.gz CXYKOPKRKKAWMW-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCCN(C)CCOC ZINC000660828496 425247092 /nfs/dbraw/zinc/24/70/92/425247092.db2.gz ZNGZTBFYVWCQKZ-HOTGVXAUSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000660836659 425250744 /nfs/dbraw/zinc/25/07/44/425250744.db2.gz DUEKBYWABUWOOY-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCCn1cc(CN[C@H]2CCOC3(CCSCC3)C2)nn1 ZINC000657410586 425328425 /nfs/dbraw/zinc/32/84/25/425328425.db2.gz ALCBSAIAZIFULM-AWEZNQCLSA-N 0 3 322.478 2.389 20 30 DEEDHN C=CCN(C(=O)NC1CCN(CC(=C)C)CC1)[C@H](C)COC ZINC000664017458 425290161 /nfs/dbraw/zinc/29/01/61/425290161.db2.gz WZBBIRFPHXXKNC-OAHLLOKOSA-N 0 3 309.454 2.259 20 30 DEEDHN C[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000297267098 267039650 /nfs/dbraw/zinc/03/96/50/267039650.db2.gz CEHNPZHSSBBUBU-AWEZNQCLSA-N 0 3 312.417 2.184 20 30 DEEDHN C=CC[C@@H]1CCCN(Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000661378932 425394322 /nfs/dbraw/zinc/39/43/22/425394322.db2.gz ORVCOUSSXTVHLI-GFCCVEGCSA-N 0 3 304.419 2.248 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000664759326 425450711 /nfs/dbraw/zinc/45/07/11/425450711.db2.gz SZMBXNLKZJKKOX-SJORKVTESA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCCOCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659036748 425524327 /nfs/dbraw/zinc/52/43/27/425524327.db2.gz FAVDRBCCLOHGJU-INIZCTEOSA-N 0 3 319.405 2.062 20 30 DEEDHN C=C(C)CCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000665019074 425493256 /nfs/dbraw/zinc/49/32/56/425493256.db2.gz GOWURVRGJQEGJV-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCCC1(CNC(=O)C(=O)N[C@H](CN)CC(C)C)CCCC1 ZINC000659717170 425644472 /nfs/dbraw/zinc/64/44/72/425644472.db2.gz FFTMJGNQMOGJCD-HNNXBMFYSA-N 0 3 323.481 2.119 20 30 DEEDHN C=CCOCCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000666516074 425768186 /nfs/dbraw/zinc/76/81/86/425768186.db2.gz XSWPOGAVSFKLAU-MRXNPFEDSA-N 0 3 323.412 2.320 20 30 DEEDHN Cc1cnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000527175981 268071410 /nfs/dbraw/zinc/07/14/10/268071410.db2.gz QWPABSMERUCRPI-CQSZACIVSA-N 0 3 310.382 2.322 20 30 DEEDHN N#Cc1ccnc(N2CCN(CCCC3CCOCC3)CC2)c1 ZINC000274222177 268293175 /nfs/dbraw/zinc/29/31/75/268293175.db2.gz QEMYGNVRFJLAHP-UHFFFAOYSA-N 0 3 314.433 2.282 20 30 DEEDHN CS[C@@H]1CN(c2nccc(C)c2C#N)C[C@H]1N1CCCC1 ZINC000275898049 274183340 /nfs/dbraw/zinc/18/33/40/274183340.db2.gz ZAIBWKVUNVWTDM-HUUCEWRRSA-N 0 3 302.447 2.278 20 30 DEEDHN CS[C@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1N1CCCC1 ZINC000275470197 274187262 /nfs/dbraw/zinc/18/72/62/274187262.db2.gz NUDPLUVHZHQFMB-GJZGRUSLSA-N 0 3 302.447 2.278 20 30 DEEDHN O[C@H]1CCC[C@@H]1N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000363603212 275058678 /nfs/dbraw/zinc/05/86/78/275058678.db2.gz HRLGSSRJFLWCAD-ROUUACIJSA-N 0 3 318.848 2.223 20 30 DEEDHN CC1(C)NC(=O)CC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000328756312 275875746 /nfs/dbraw/zinc/87/57/46/275875746.db2.gz UBOUWMWUUQRZSP-CYBMUJFWSA-N 0 3 308.426 2.014 20 30 DEEDHN C#CCCCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377539011 276775946 /nfs/dbraw/zinc/77/59/46/276775946.db2.gz BDJBAECEFHRIGN-MRXNPFEDSA-N 0 3 321.465 2.027 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)CC1 ZINC000332272110 276895051 /nfs/dbraw/zinc/89/50/51/276895051.db2.gz CJLPGTXDRGQMFU-GJZGRUSLSA-N 0 3 322.453 2.420 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)[C@@]3(C#N)CC34CCCC4)C2)C1 ZINC000452153150 277071316 /nfs/dbraw/zinc/07/13/16/277071316.db2.gz QTYIASBRJVPDCT-AEFFLSMTSA-N 0 3 301.434 2.405 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCC[C@@H]1C ZINC000487997100 277214936 /nfs/dbraw/zinc/21/49/36/277214936.db2.gz DNMKGFYPBYJETN-YQQAZPJKSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1CN(c2ccc(C#N)cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000376213668 277915317 /nfs/dbraw/zinc/91/53/17/277915317.db2.gz YRKYOOFWFZIFBM-PBHICJAKSA-N 0 3 316.424 2.160 20 30 DEEDHN CS[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H]1N(C)C ZINC000271682520 278157431 /nfs/dbraw/zinc/15/74/31/278157431.db2.gz ZMVYJNIXWXFCCW-HZPDHXFCSA-N 0 3 316.474 2.314 20 30 DEEDHN C[C@@H](CCC#N)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000299425217 278226363 /nfs/dbraw/zinc/22/63/63/278226363.db2.gz XFFJFCFGHDUVFT-SFHVURJKSA-N 0 3 314.477 2.428 20 30 DEEDHN C[C@@H](CCC#N)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000411600439 278226501 /nfs/dbraw/zinc/22/65/01/278226501.db2.gz YFYCCFAUROCBGV-KKUMJFAQSA-N 0 3 305.401 2.013 20 30 DEEDHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC2(CCOCC2)[C@@H]1C ZINC000329423489 279180218 /nfs/dbraw/zinc/18/02/18/279180218.db2.gz IEHIOTMAKNCTNA-ILXRZTDVSA-N 0 3 310.438 2.401 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000330227768 288114767 /nfs/dbraw/zinc/11/47/67/288114767.db2.gz VBCFVACCAQUHFJ-YCPHGPKFSA-N 0 3 321.465 2.465 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000330227767 288114960 /nfs/dbraw/zinc/11/49/60/288114960.db2.gz VBCFVACCAQUHFJ-FMKPAKJESA-N 0 3 321.465 2.465 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330228821 288114977 /nfs/dbraw/zinc/11/49/77/288114977.db2.gz VPADRRLSLUFHQD-NFAWXSAZSA-N 0 3 307.438 2.074 20 30 DEEDHN C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)[C@H]2CCCC[C@H]12 ZINC000182477843 288137912 /nfs/dbraw/zinc/13/79/12/288137912.db2.gz SUKQKWNNOBTQCV-OAGGEKHMSA-N 0 3 302.422 2.153 20 30 DEEDHN CN(C)[C@H](CNC(=O)N(C)CC(C)(C)C#N)Cc1ccccc1 ZINC000457482561 289353690 /nfs/dbraw/zinc/35/36/90/289353690.db2.gz MJWOADAFXQPPNU-INIZCTEOSA-N 0 3 316.449 2.350 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3nsnc32)[C@H]1C ZINC001088951755 782073504 /nfs/dbraw/zinc/07/35/04/782073504.db2.gz FVXKYSMISDNISU-YPMHNXCESA-N 0 3 316.430 2.460 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2noc3c2C[C@H](C)CC3)[C@H]1C ZINC001088952622 782073575 /nfs/dbraw/zinc/07/35/75/782073575.db2.gz AQCYSYQUTCHESL-NFAWXSAZSA-N 0 3 315.417 2.015 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccccc2C)C[C@H]1C ZINC001328283375 1148765307 /nfs/dbraw/zinc/76/53/07/1148765307.db2.gz KTHYXNCDSZZSRY-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000573188438 326030636 /nfs/dbraw/zinc/03/06/36/326030636.db2.gz KAIUDOGNQRNUHR-QZTJIDSGSA-N 0 3 323.396 2.182 20 30 DEEDHN N#Cc1cncc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000573591077 326073273 /nfs/dbraw/zinc/07/32/73/326073273.db2.gz DGTKNCRIJSWTRU-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)s1 ZINC000573741131 326087815 /nfs/dbraw/zinc/08/78/15/326087815.db2.gz FCGFSMFOYWTLBI-CQSZACIVSA-N 0 3 305.447 2.306 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000569352138 332023092 /nfs/dbraw/zinc/02/30/92/332023092.db2.gz VPOUHGCLMJRXQJ-KRWDZBQOSA-N 0 3 318.461 2.181 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1(C#N)CC1 ZINC000559334055 332028533 /nfs/dbraw/zinc/02/85/33/332028533.db2.gz GCPSBYBUMIDJFC-GOEBONIOSA-N 0 3 312.417 2.110 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cccn2C)CC1 ZINC000159338726 332078796 /nfs/dbraw/zinc/07/87/96/332078796.db2.gz GOKQWDKOUQPJGH-UHFFFAOYSA-N 0 3 304.438 2.207 20 30 DEEDHN C=CCN(Cc1ccccc1F)C(=O)CNC[C@@H]1CCCO1 ZINC000152805596 332329277 /nfs/dbraw/zinc/32/92/77/332329277.db2.gz YDPALRKOCJNVDW-HNNXBMFYSA-N 0 3 306.381 2.109 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)CC1 ZINC000245633698 332498843 /nfs/dbraw/zinc/49/88/43/332498843.db2.gz WEGJNQYIAVJRGE-USXIJHARSA-N 0 3 320.477 2.288 20 30 DEEDHN N#CCc1cccc(C(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000563339065 333591218 /nfs/dbraw/zinc/59/12/18/333591218.db2.gz NUGTVGSYXDDGKC-GOSISDBHSA-N 0 3 305.381 2.369 20 30 DEEDHN C=CCCOCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000534580700 334288916 /nfs/dbraw/zinc/28/89/16/334288916.db2.gz NDXZWRQQFUJXNQ-UHFFFAOYSA-N 0 3 323.481 2.487 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NC(=O)C1(N(C)C)CCC1 ZINC001356889619 1152175148 /nfs/dbraw/zinc/17/51/48/1152175148.db2.gz GQFSVFKWWJSNBQ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000351939719 336181243 /nfs/dbraw/zinc/18/12/43/336181243.db2.gz WMQCTIHNPACWBC-PBHICJAKSA-N 0 3 309.454 2.320 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@@H]1CCOC(C)(C)C1 ZINC000351949598 336182348 /nfs/dbraw/zinc/18/23/48/336182348.db2.gz QQQDNRSPXWPPFD-HUUCEWRRSA-N 0 3 309.454 2.274 20 30 DEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCOC(C)(C)C1 ZINC000351949644 336182381 /nfs/dbraw/zinc/18/23/81/336182381.db2.gz RBAOGTVQGHUXLB-WMLDXEAASA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3c(CC)noc3CC)C2)C1 ZINC001072821228 790260991 /nfs/dbraw/zinc/26/09/91/790260991.db2.gz DFNNPKPNRDRZFF-UHFFFAOYSA-N 0 3 317.433 2.062 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)cc2OC)[C@H]1C ZINC001089001877 782108915 /nfs/dbraw/zinc/10/89/15/782108915.db2.gz HHTDDFVWCIGCTL-CJNGLKHVSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCOCC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000359772415 336687175 /nfs/dbraw/zinc/68/71/75/336687175.db2.gz JFVMETYLNDAMJU-QGZVFWFLSA-N 0 3 320.433 2.395 20 30 DEEDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1 ZINC000360299447 336707496 /nfs/dbraw/zinc/70/74/96/336707496.db2.gz QPSHPHKJDNUNIS-CJNGLKHVSA-N 0 3 303.406 2.352 20 30 DEEDHN C[C@@H](CCNS(=O)(=O)CCC(C)(C)C#N)N1CCCCC1 ZINC000582305925 336906811 /nfs/dbraw/zinc/90/68/11/336906811.db2.gz UYKOHYBTBWKJHH-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN Cc1ccc(CCNC[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000583688356 336951244 /nfs/dbraw/zinc/95/12/44/336951244.db2.gz FUASXRPAAAKJTM-INIZCTEOSA-N 0 3 314.385 2.226 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3nnc(C)o3)c2)CC1 ZINC000174363626 337141165 /nfs/dbraw/zinc/14/11/65/337141165.db2.gz ZVKUFVAFZKDARL-UHFFFAOYSA-N 0 3 324.384 2.329 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000582768172 337141181 /nfs/dbraw/zinc/14/11/81/337141181.db2.gz XIHZLYSCKLJCQC-ZACQAIPSSA-N 0 3 317.433 2.240 20 30 DEEDHN COc1ccc(CN2CC[C@@](C)(O)C2)cc1OCCCC#N ZINC000180198239 337175229 /nfs/dbraw/zinc/17/52/29/337175229.db2.gz BXVISKSLYWBMQS-QGZVFWFLSA-N 0 3 304.390 2.334 20 30 DEEDHN C=C(Br)CN[C@H](C)[C@H]1CCCN(C(=O)OC)C1 ZINC000495560755 339987292 /nfs/dbraw/zinc/98/72/92/339987292.db2.gz RSXYCYLEMFBJLD-MNOVXSKESA-N 0 3 305.216 2.352 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000583069465 337235498 /nfs/dbraw/zinc/23/54/98/337235498.db2.gz PYSJXLSYOITNOY-HZPDHXFCSA-N 0 3 314.433 2.310 20 30 DEEDHN CC(C)[C@]1(C)C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000397162278 337256786 /nfs/dbraw/zinc/25/67/86/337256786.db2.gz WCEPXZONZVBVPT-CVEARBPZSA-N 0 3 306.431 2.356 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1cccc2ccccc21 ZINC000392767383 337279801 /nfs/dbraw/zinc/27/98/01/337279801.db2.gz HGEIEUYDPLDJFL-UHFFFAOYSA-N 0 3 316.426 2.073 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](O)CCc2ccccc2)CC1 ZINC000271002335 337643409 /nfs/dbraw/zinc/64/34/09/337643409.db2.gz HOJWQQXNNMVVFL-SFHVURJKSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000515387861 337987695 /nfs/dbraw/zinc/98/76/95/337987695.db2.gz KOOFANSNYYIJTA-UHFFFAOYSA-N 0 3 314.389 2.039 20 30 DEEDHN N#CC1(CNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000516545708 338015100 /nfs/dbraw/zinc/01/51/00/338015100.db2.gz YPPSUOZFELDVQG-UHFFFAOYSA-N 0 3 312.417 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429724008 338088498 /nfs/dbraw/zinc/08/84/98/338088498.db2.gz VTQCBKWKQMEAAI-INIZCTEOSA-N 0 3 320.481 2.157 20 30 DEEDHN C[C@@H](CCC#N)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000496197558 340000313 /nfs/dbraw/zinc/00/03/13/340000313.db2.gz XZZATICRXFWXIX-ZDUSSCGKSA-N 0 3 311.426 2.030 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496402283 340004734 /nfs/dbraw/zinc/00/47/34/340004734.db2.gz KDGLEEJENPQUGW-CXAGYDPISA-N 0 3 321.421 2.396 20 30 DEEDHN C[C@@H]1C(=NNC2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000496443891 340005619 /nfs/dbraw/zinc/00/56/19/340005619.db2.gz NLQDZDKIYXYAPA-GFCCVEGCSA-N 0 3 310.442 2.056 20 30 DEEDHN C[C@H](C#N)OCCN(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496466970 340006025 /nfs/dbraw/zinc/00/60/25/340006025.db2.gz CWERVXKJPMHYMP-TZMCWYRMSA-N 0 3 311.426 2.150 20 30 DEEDHN C#CCCN1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1 ZINC000496527310 340007209 /nfs/dbraw/zinc/00/72/09/340007209.db2.gz NUPBRVXWSPGWET-UHFFFAOYSA-N 0 3 310.438 2.358 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000496818772 340013776 /nfs/dbraw/zinc/01/37/76/340013776.db2.gz UVVABPAGDMDOGR-HUUCEWRRSA-N 0 3 321.421 2.396 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCc2sc(Cl)cc21 ZINC000572512847 340134627 /nfs/dbraw/zinc/13/46/27/340134627.db2.gz LZGRBLVVGVXRHT-ZYHUDNBSSA-N 0 3 313.854 2.185 20 30 DEEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CCOC1 ZINC000247118185 341361190 /nfs/dbraw/zinc/36/11/90/341361190.db2.gz RNURBWCFWZFVEO-JKSUJKDBSA-N 0 3 315.417 2.290 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000248958671 341390755 /nfs/dbraw/zinc/39/07/55/341390755.db2.gz BWMUXAFSGSCCJQ-CQDKDKBSSA-N 0 3 308.809 2.450 20 30 DEEDHN CC1(C)CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000580640353 341890651 /nfs/dbraw/zinc/89/06/51/341890651.db2.gz GKOQAYZIYGQWIH-CQSZACIVSA-N 0 3 321.446 2.285 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376513807 1159493898 /nfs/dbraw/zinc/49/38/98/1159493898.db2.gz WCLJTFNCECZIEH-AWEZNQCLSA-N 0 3 313.873 2.051 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2OCc3ccccc32)[C@H]1C ZINC001089011394 782116233 /nfs/dbraw/zinc/11/62/33/782116233.db2.gz YNFUIKFPVZHUGJ-XOKHGSTOSA-N 0 3 300.402 2.413 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(OC)c2)[C@H]1C ZINC001089019685 782119978 /nfs/dbraw/zinc/11/99/78/782119978.db2.gz ZJHGVGZWFQURJX-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H](C)n1cccn1)C1CC1 ZINC001378411797 1152320256 /nfs/dbraw/zinc/32/02/56/1152320256.db2.gz JWILLOHVDFVTLT-CZUORRHYSA-N 0 3 324.856 2.461 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001330033082 1149038747 /nfs/dbraw/zinc/03/87/47/1149038747.db2.gz YWMBOYKVHJYHBB-YOEHRIQHSA-N 0 3 306.450 2.042 20 30 DEEDHN Cc1ncccc1CN1CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001369566418 1149043066 /nfs/dbraw/zinc/04/30/66/1149043066.db2.gz FZFIFPALYXSJJY-ZFWWWQNUSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000429714564 500576219 /nfs/dbraw/zinc/57/62/19/500576219.db2.gz LCUNXNCFFXCBTB-UHFFFAOYSA-N 0 3 317.433 2.267 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCC#Cc1cccc(F)c1 ZINC000338042103 533820192 /nfs/dbraw/zinc/82/01/92/533820192.db2.gz LCSSUOBLTKTFCI-HNNXBMFYSA-N 0 3 317.408 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](OC)[C@H](C)CC)C1 ZINC001440340278 1181455439 /nfs/dbraw/zinc/45/54/39/1181455439.db2.gz IAOUUZNYIBUPAQ-FMKGYKFTSA-N 0 3 302.846 2.284 20 30 DEEDHN C[C@@H]1CCN(C(=O)NCCC#N)CCN1Cc1ccccc1 ZINC000332224558 533958462 /nfs/dbraw/zinc/95/84/62/533958462.db2.gz LQPFBBRBNBKDJR-OAHLLOKOSA-N 0 3 300.406 2.206 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000278509726 534290770 /nfs/dbraw/zinc/29/07/70/534290770.db2.gz BHBOIUOEHUYCGN-VXGBXAGGSA-N 0 3 321.402 2.246 20 30 DEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C#N)[nH]1 ZINC000162311486 521750558 /nfs/dbraw/zinc/75/05/58/521750558.db2.gz HNGKKRCFFPANLC-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)N2CCN(CC)CC2)CCCC1 ZINC000449880073 534588366 /nfs/dbraw/zinc/58/83/66/534588366.db2.gz LRCAWQSSYKXTPD-INIZCTEOSA-N 0 3 307.482 2.265 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000451613380 534610655 /nfs/dbraw/zinc/61/06/55/534610655.db2.gz MZOYEYKOXQAILQ-VZEFYGNVSA-N 0 3 318.392 2.421 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)[C@H]1C ZINC001089091742 782163128 /nfs/dbraw/zinc/16/31/28/782163128.db2.gz OCIZLFWVKJMLHA-PVAVHDDUSA-N 0 3 314.429 2.454 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H]([C@H]4CCOC4)C3)o2)c1 ZINC000441673913 534801476 /nfs/dbraw/zinc/80/14/76/534801476.db2.gz JCOUXCDNZKHZDG-CVEARBPZSA-N 0 3 324.384 2.467 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000246770252 525958761 /nfs/dbraw/zinc/95/87/61/525958761.db2.gz AVJKSKUGVGXIGD-IJEWVQPXSA-N 0 3 313.401 2.021 20 30 DEEDHN CC#CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000361333115 526322682 /nfs/dbraw/zinc/32/26/82/526322682.db2.gz ZDZQUZQJIJFEHB-UHFFFAOYSA-N 0 3 309.479 2.061 20 30 DEEDHN CC#CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245754692 526373842 /nfs/dbraw/zinc/37/38/42/526373842.db2.gz YFAPMRXZWYPYMA-UKRRQHHQSA-N 0 3 305.447 2.454 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@]1(C)CCCC[C@H]1C(=O)OC ZINC000340375232 526526928 /nfs/dbraw/zinc/52/69/28/526526928.db2.gz UBSKDGSECUCQAO-WMLDXEAASA-N 0 3 310.438 2.123 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000369620535 526529067 /nfs/dbraw/zinc/52/90/67/526529067.db2.gz YBHXVVIABIAPEQ-INIZCTEOSA-N 0 3 302.418 2.252 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000369620536 526530176 /nfs/dbraw/zinc/53/01/76/526530176.db2.gz YBHXVVIABIAPEQ-MRXNPFEDSA-N 0 3 302.418 2.252 20 30 DEEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCNCCOC ZINC000418505698 526565197 /nfs/dbraw/zinc/56/51/97/526565197.db2.gz GACFEZNGHISHFG-UHFFFAOYSA-N 0 3 305.422 2.010 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1 ZINC000262296443 526618164 /nfs/dbraw/zinc/61/81/64/526618164.db2.gz JESKNAVLPPJQEB-AWEZNQCLSA-N 0 3 304.394 2.306 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H](C)CCN2)cc1 ZINC000422953327 526619020 /nfs/dbraw/zinc/61/90/20/526619020.db2.gz DYFQQHAHIBBUPD-IUODEOHRSA-N 0 3 316.405 2.321 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 ZINC000366666431 526683550 /nfs/dbraw/zinc/68/35/50/526683550.db2.gz PXJZENVRRVHRIS-KRWDZBQOSA-N 0 3 322.474 2.047 20 30 DEEDHN C=C(C)Cn1c(C)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC000338787689 526723726 /nfs/dbraw/zinc/72/37/26/526723726.db2.gz IUAIENAVWMBUSZ-INIZCTEOSA-N 0 3 321.469 2.100 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000339111505 526766968 /nfs/dbraw/zinc/76/69/68/526766968.db2.gz SHQUTCZEPWQUDN-KGLIPLIRSA-N 0 3 313.442 2.190 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@H]1c1cccn1C ZINC000297573526 526810208 /nfs/dbraw/zinc/81/02/08/526810208.db2.gz SXMPBCGHICLSNK-KRWDZBQOSA-N 0 3 316.449 2.217 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000341262273 526889157 /nfs/dbraw/zinc/88/91/57/526889157.db2.gz GOFUWUOQZZJWEW-SJLPKXTDSA-N 0 3 300.402 2.398 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1 ZINC000337795326 526889430 /nfs/dbraw/zinc/88/94/30/526889430.db2.gz CXJFQNGWSJOONQ-SJORKVTESA-N 0 3 300.402 2.494 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)CC1 ZINC000377133117 526931955 /nfs/dbraw/zinc/93/19/55/526931955.db2.gz VEHVZRHNFMKMPK-SJKOYZFVSA-N 0 3 316.376 2.109 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1 ZINC000299454900 526933684 /nfs/dbraw/zinc/93/36/84/526933684.db2.gz TXTHNIIGPMJXPT-CYBMUJFWSA-N 0 3 300.406 2.138 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000294485344 526987364 /nfs/dbraw/zinc/98/73/64/526987364.db2.gz HLPKBNGSSZIDDQ-CYBMUJFWSA-N 0 3 318.392 2.405 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000341381606 527040833 /nfs/dbraw/zinc/04/08/33/527040833.db2.gz XJOVENBNZQHCBT-HUUCEWRRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CC[C@H](CO)CNCc1c(C)nn(-c2ccccn2)c1C ZINC000338440295 527185827 /nfs/dbraw/zinc/18/58/27/527185827.db2.gz PSBYIFVSIJUSJV-HNNXBMFYSA-N 0 3 300.406 2.158 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000297618666 527222948 /nfs/dbraw/zinc/22/29/48/527222948.db2.gz XJTCTKLTXXEZFZ-IUODEOHRSA-N 0 3 305.447 2.332 20 30 DEEDHN C=CCCC[C@@H](C)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000340903375 527251173 /nfs/dbraw/zinc/25/11/73/527251173.db2.gz OECDXLBWFXHOOS-HUUCEWRRSA-N 0 3 300.468 2.231 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000373217850 527262914 /nfs/dbraw/zinc/26/29/14/527262914.db2.gz SFSPJYYMBRYERH-IAGOWNOFSA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCn1c(C)nnc1N1CCN(CC2CCCCC2)CC1 ZINC000337818903 527299491 /nfs/dbraw/zinc/29/94/91/527299491.db2.gz QHOCCPFJJJROLW-UHFFFAOYSA-N 0 3 303.454 2.475 20 30 DEEDHN C=C[C@H]1CCCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000331106870 527605370 /nfs/dbraw/zinc/60/53/70/527605370.db2.gz ADFRMFBKEGGHBE-JTQLQIEISA-N 0 3 307.316 2.010 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337436224 527615619 /nfs/dbraw/zinc/61/56/19/527615619.db2.gz WRNLBEOTFQUFRE-CHWSQXEVSA-N 0 3 302.365 2.327 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H](C)COC)C(C)C ZINC000298705514 527648515 /nfs/dbraw/zinc/64/85/15/527648515.db2.gz YFTSBDIUBDSBRA-JKSUJKDBSA-N 0 3 311.470 2.361 20 30 DEEDHN CCCN(CC(C)(C)O)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350154312 527917786 /nfs/dbraw/zinc/91/77/86/527917786.db2.gz MBJCMQPENJTHMV-INIZCTEOSA-N 0 3 313.401 2.250 20 30 DEEDHN CCC(=O)N[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000330384822 528407101 /nfs/dbraw/zinc/40/71/01/528407101.db2.gz KTOIJOFBQVIXFR-OAHLLOKOSA-N 0 3 307.438 2.078 20 30 DEEDHN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000331244357 528827554 /nfs/dbraw/zinc/82/75/54/528827554.db2.gz OMSGVECSOOKSKZ-WFASDCNBSA-N 0 3 321.396 2.271 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CN(C)C ZINC000346156509 535163414 /nfs/dbraw/zinc/16/34/14/535163414.db2.gz AZRPMXSLOCRYPN-BBRMVZONSA-N 0 3 303.406 2.028 20 30 DEEDHN CN(C)Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1F ZINC000359708591 536011559 /nfs/dbraw/zinc/01/15/59/536011559.db2.gz VSOLIZRCZKWRHO-UHFFFAOYSA-N 0 3 300.381 2.387 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001358853527 1152503671 /nfs/dbraw/zinc/50/36/71/1152503671.db2.gz WDKAZYLDUJBVLB-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1ccncc1)C(C)C ZINC001378982800 1152516812 /nfs/dbraw/zinc/51/68/12/1152516812.db2.gz WAXKCUBJMKCKLN-HNNXBMFYSA-N 0 3 309.841 2.497 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCOCC(C)C)C2 ZINC001327512136 1148573188 /nfs/dbraw/zinc/57/31/88/1148573188.db2.gz JRXVRYQXZKOAEO-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001327595233 1148594239 /nfs/dbraw/zinc/59/42/39/1148594239.db2.gz MLJACGAHONRSJD-ZHALLVOQSA-N 0 3 320.477 2.025 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001369756773 1149148708 /nfs/dbraw/zinc/14/87/08/1149148708.db2.gz VQYXKLJREFGPTA-TZMCWYRMSA-N 0 3 308.813 2.202 20 30 DEEDHN C=CCN(CC=C)c1nnc(CC)n1CCN1CC=CCC1 ZINC001359273414 1152566898 /nfs/dbraw/zinc/56/68/98/1152566898.db2.gz ZLEQOPDHYAGBJP-UHFFFAOYSA-N 0 3 301.438 2.281 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)NC(=O)C[C@@H](C)n1ccnc1CC ZINC001379355203 1152614494 /nfs/dbraw/zinc/61/44/94/1152614494.db2.gz CFUULZMDKAMZOY-CHWSQXEVSA-N 0 3 312.845 2.243 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835339555 649908443 /nfs/dbraw/zinc/90/84/43/649908443.db2.gz FOOFJWKRSJQASH-FZMZJTMJSA-N 0 3 324.327 2.105 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001368811917 1148683028 /nfs/dbraw/zinc/68/30/28/1148683028.db2.gz GBFSSOOKCHJAMP-AWEZNQCLSA-N 0 3 301.862 2.004 20 30 DEEDHN Cc1ncc(CN2CC[C@@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C2)o1 ZINC001368824568 1148692018 /nfs/dbraw/zinc/69/20/18/1148692018.db2.gz GKCJDWHIGNWUSS-GXTWGEPZSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C1CC(C)C1 ZINC001381187199 1152942370 /nfs/dbraw/zinc/94/23/70/1152942370.db2.gz JHHJPNXSYKULKQ-ZYXZCXLHSA-N 0 3 303.244 2.426 20 30 DEEDHN C[C@@]1(NC(=O)[C@H](N)CCCCC#N)CCOc2ccccc21 ZINC001355282056 1152000131 /nfs/dbraw/zinc/00/01/31/1152000131.db2.gz ZZZDWNSYXRCGFP-RHSMWYFYSA-N 0 3 301.390 2.212 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnnc(C)c1 ZINC001025228614 625288082 /nfs/dbraw/zinc/28/80/82/625288082.db2.gz ZJJUWSJNRYPCPS-DLBZAZTESA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccncc1C ZINC001025231326 625290574 /nfs/dbraw/zinc/29/05/74/625290574.db2.gz HHHKWNUNHFFYOZ-QZTJIDSGSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2nc(Cl)sc2C)C1 ZINC001023481865 625291106 /nfs/dbraw/zinc/29/11/06/625291106.db2.gz QXMSPVSHOVUUKK-NSHDSACASA-N 0 3 311.838 2.180 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001023494649 625298611 /nfs/dbraw/zinc/29/86/11/625298611.db2.gz ONQKHLPGLVMARF-LSDHHAIUSA-N 0 3 312.413 2.085 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccnnc1C ZINC001025246800 625303512 /nfs/dbraw/zinc/30/35/12/625303512.db2.gz HPLOBUKIPIWFOW-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001023520625 625308310 /nfs/dbraw/zinc/30/83/10/625308310.db2.gz RXLOVTRHPISCIO-AWEZNQCLSA-N 0 3 323.396 2.015 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ncccc3s2)C1 ZINC001023524775 625308706 /nfs/dbraw/zinc/30/87/06/625308706.db2.gz AFHKVPYWYMNNGN-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2occ3c2CCC3)C[C@H]1C ZINC000947570906 625340507 /nfs/dbraw/zinc/34/05/07/625340507.db2.gz ARWUWNFTYPFLNK-UKRRQHHQSA-N 0 3 300.402 2.374 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001023643115 625370098 /nfs/dbraw/zinc/37/00/98/625370098.db2.gz PANRWTIJFNRKGE-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN C=CC[C@H](CO)CNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000893284160 625386861 /nfs/dbraw/zinc/38/68/61/625386861.db2.gz QGKCKKABGBNDRK-LBPRGKRZSA-N 0 3 324.425 2.041 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001023684307 625387357 /nfs/dbraw/zinc/38/73/57/625387357.db2.gz YBQXAHPDTFYSKK-GFCCVEGCSA-N 0 3 301.415 2.304 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001023683090 625387434 /nfs/dbraw/zinc/38/74/34/625387434.db2.gz NJTDCDIYXSFTIS-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001023685576 625388160 /nfs/dbraw/zinc/38/81/60/625388160.db2.gz IXKDWOBRASCNGC-HNNXBMFYSA-N 0 3 324.428 2.336 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001023695154 625391495 /nfs/dbraw/zinc/39/14/95/625391495.db2.gz WVGOFJGOWXGQJM-AWEZNQCLSA-N 0 3 316.449 2.172 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001023700111 625393661 /nfs/dbraw/zinc/39/36/61/625393661.db2.gz BTYMSSZHHGARSI-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001023720324 625398742 /nfs/dbraw/zinc/39/87/42/625398742.db2.gz QUCLREKCNZQJND-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC001023730926 625406424 /nfs/dbraw/zinc/40/64/24/625406424.db2.gz LCOYWZZGDHMIDO-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000930762083 625414579 /nfs/dbraw/zinc/41/45/79/625414579.db2.gz ZZONQDPRCFCIAU-JHJVBQTASA-N 0 3 302.378 2.192 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2csc(C3CC3)n2)C1 ZINC001023771761 625431741 /nfs/dbraw/zinc/43/17/41/625431741.db2.gz SWXORZJHHXFXBP-GFCCVEGCSA-N 0 3 303.431 2.096 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001023774475 625434523 /nfs/dbraw/zinc/43/45/23/625434523.db2.gz KQTCUWRKDFVMCU-INIZCTEOSA-N 0 3 313.445 2.218 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001023780606 625435190 /nfs/dbraw/zinc/43/51/90/625435190.db2.gz VLDSQCYJRRSECZ-CYBMUJFWSA-N 0 3 313.376 2.382 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc3ccccc3n2)C1 ZINC001025439853 625437115 /nfs/dbraw/zinc/43/71/15/625437115.db2.gz NYXASYZZLQZQCE-LSDHHAIUSA-N 0 3 322.412 2.093 20 30 DEEDHN 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ZINC000948578461 632994088 /nfs/dbraw/zinc/99/40/88/632994088.db2.gz CPZHVXFFPTWYGI-OAHLLOKOSA-N 0 3 316.449 2.483 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnn2CCC)C(C)(C)C1 ZINC000974622183 633187254 /nfs/dbraw/zinc/18/72/54/633187254.db2.gz DLAPKZZIOQBPDC-HNNXBMFYSA-N 0 3 304.438 2.309 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000996134811 633194131 /nfs/dbraw/zinc/19/41/31/633194131.db2.gz LKZVKYCTPQPPMI-OAHLLOKOSA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C(C)(C)C1 ZINC000974636536 633196756 /nfs/dbraw/zinc/19/67/56/633196756.db2.gz SODYEYHSETVXIR-HOCLYGCPSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C(F)F)nc2)C(C)(C)C1 ZINC000974642406 633199219 /nfs/dbraw/zinc/19/92/19/633199219.db2.gz IADGEIMDTPYXSY-AWEZNQCLSA-N 0 3 321.371 2.483 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C3CC3)cnn2C)C(C)(C)C1 ZINC000974651909 633209056 /nfs/dbraw/zinc/20/90/56/633209056.db2.gz NOGSCRMLUAGJNP-HNNXBMFYSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000996229866 633216416 /nfs/dbraw/zinc/21/64/16/633216416.db2.gz WPGQLFWYTDWRSZ-YJBOKZPZSA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(F)c1OCC ZINC001028228085 635925378 /nfs/dbraw/zinc/92/53/78/635925378.db2.gz ITGACJIBJLAOER-AWEZNQCLSA-N 0 3 318.392 2.442 20 30 DEEDHN CC1(C(=O)N2CC[C@H](CNCc3cc(F)ccc3C#N)C2)CC1 ZINC001026859531 633220078 /nfs/dbraw/zinc/22/00/78/633220078.db2.gz NJWUCZHCDSFHGP-CYBMUJFWSA-N 0 3 315.392 2.436 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001026865898 633228679 /nfs/dbraw/zinc/22/86/79/633228679.db2.gz OAUYNAUQBBZCIE-CYBMUJFWSA-N 0 3 324.856 2.137 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)C#CC2CC2)CC1 ZINC000996394068 633253391 /nfs/dbraw/zinc/25/33/91/633253391.db2.gz JVGQTIVLAOLAJI-UHFFFAOYSA-N 0 3 307.397 2.052 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc(OC)c2C)C(C)(C)C1 ZINC000974722337 633267265 /nfs/dbraw/zinc/26/72/65/633267265.db2.gz FDJGEUOQCWKCIA-MRXNPFEDSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3ncn(C)c32)C(C)(C)C1 ZINC000974749057 633279692 /nfs/dbraw/zinc/27/96/92/633279692.db2.gz GGIZMDKVKWZMRS-INIZCTEOSA-N 0 3 324.428 2.037 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974742033 633282195 /nfs/dbraw/zinc/28/21/95/633282195.db2.gz KWZAAQMVIGDCKZ-GDBMZVCRSA-N 0 3 316.449 2.163 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cn2cc(C3CC3)cn2)C(C)(C)C1 ZINC000974756049 633290362 /nfs/dbraw/zinc/29/03/62/633290362.db2.gz YMMNQBKUDDJUAI-INIZCTEOSA-N 0 3 316.449 2.163 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(C)c2CCC)C(C)(C)C1 ZINC000974768855 633292569 /nfs/dbraw/zinc/29/25/69/633292569.db2.gz VWWGWJOXHAGVFI-INIZCTEOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(OC)c2)C(C)(C)C1 ZINC000974762353 633296445 /nfs/dbraw/zinc/29/64/45/633296445.db2.gz XURISWJPIHWARW-CQSZACIVSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CC2CC(OCC)C2)C(C)(C)C1 ZINC000974937014 633374038 /nfs/dbraw/zinc/37/40/38/633374038.db2.gz UHZKTMFYOGPTRV-UYSNPLJNSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNCc3cnc(C)cn3)C2)C1 ZINC001027049069 633376637 /nfs/dbraw/zinc/37/66/37/633376637.db2.gz ZAHXJKZKPQWBTD-OAHLLOKOSA-N 0 3 314.433 2.079 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccncc2Cl)C(C)(C)C1 ZINC000975045004 633396784 /nfs/dbraw/zinc/39/67/84/633396784.db2.gz YGMYOLPTVKPVMT-OAHLLOKOSA-N 0 3 319.836 2.127 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000975104072 633420660 /nfs/dbraw/zinc/42/06/60/633420660.db2.gz RUIJLWDOYATFDI-AWEZNQCLSA-N 0 3 304.438 2.019 20 30 DEEDHN Cc1c[nH]cc1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001027214850 633499830 /nfs/dbraw/zinc/49/98/30/633499830.db2.gz YITYQAHCFUTXRI-HNNXBMFYSA-N 0 3 322.412 2.447 20 30 DEEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000125274853 633518974 /nfs/dbraw/zinc/51/89/74/633518974.db2.gz WSTHTGNASVNLGF-ZDUSSCGKSA-N 0 3 324.340 2.225 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)C(F)F)C1 ZINC001027262016 633527693 /nfs/dbraw/zinc/52/76/93/633527693.db2.gz NSHYNLMXLCSWJY-AWEZNQCLSA-N 0 3 307.344 2.246 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC000996958724 633539873 /nfs/dbraw/zinc/53/98/73/633539873.db2.gz ZDXSIXZWIUNPGQ-SFHVURJKSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3cc(C)n(C)n3)CC2)C1 ZINC000996974224 633550340 /nfs/dbraw/zinc/55/03/40/633550340.db2.gz OLMPCGZXZCODMR-UHFFFAOYSA-N 0 3 316.449 2.165 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C(F)F)nc2)CC1 ZINC000997123789 633611310 /nfs/dbraw/zinc/61/13/10/633611310.db2.gz DDFVDNHGVOVNHZ-GFCCVEGCSA-N 0 3 321.371 2.483 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000997251361 633685112 /nfs/dbraw/zinc/68/51/12/633685112.db2.gz FBACFCMQQJJLND-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000997290699 633697585 /nfs/dbraw/zinc/69/75/85/633697585.db2.gz CWMGKNZOZPQUCO-LLVKDONJSA-N 0 3 324.375 2.201 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000997313591 633705668 /nfs/dbraw/zinc/70/56/68/633705668.db2.gz PLDKRVOCFBYSKU-CYBMUJFWSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3c2OCC3)CC1 ZINC000997313157 633706067 /nfs/dbraw/zinc/70/60/67/633706067.db2.gz KMSBRKIBMFIHCN-CQSZACIVSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC000997368502 633719546 /nfs/dbraw/zinc/71/95/46/633719546.db2.gz SUKMMMQDPMHKJH-CYBMUJFWSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cncc(Cl)c2C)C1 ZINC001027450352 633804821 /nfs/dbraw/zinc/80/48/21/633804821.db2.gz NGVVSSXIZGGPSH-CYBMUJFWSA-N 0 3 305.809 2.213 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000997589576 633889713 /nfs/dbraw/zinc/88/97/13/633889713.db2.gz RFEFCQKVLHCXOQ-SZMVWBNQSA-N 0 3 320.477 2.288 20 30 DEEDHN Cc1nc(CNCC2CCN(C(=O)[C@H](C)C#N)CC2)c(C)s1 ZINC000997622305 633901756 /nfs/dbraw/zinc/90/17/56/633901756.db2.gz AKVVLZNMFATTNY-LLVKDONJSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3ccncc3n2)CC1 ZINC000997675267 633925753 /nfs/dbraw/zinc/92/57/53/633925753.db2.gz ADNSFXXCHOGEGK-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000997769967 633967811 /nfs/dbraw/zinc/96/78/11/633967811.db2.gz GGHPSPBVVWCWCP-AWEZNQCLSA-N 0 3 312.413 2.085 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn3c2CCCC3)C(C)(C)C1 ZINC000977416857 633976698 /nfs/dbraw/zinc/97/66/98/633976698.db2.gz FRZGJGKYMOJJJU-INIZCTEOSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cncc(Cl)c2)CC1 ZINC000997792069 633978825 /nfs/dbraw/zinc/97/88/25/633978825.db2.gz SDWRDJYQHKCJPY-LBPRGKRZSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C(C)(C)C1 ZINC000977455945 633994079 /nfs/dbraw/zinc/99/40/79/633994079.db2.gz UVHIOZNVEMBKAU-CQSZACIVSA-N 0 3 304.438 2.090 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000997822311 633999693 /nfs/dbraw/zinc/99/96/93/633999693.db2.gz LYBLYLHBCSNJQC-ZDUSSCGKSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnn(C(C)C)c2)CC1 ZINC000997831536 634003206 /nfs/dbraw/zinc/00/32/06/634003206.db2.gz CHHVOWSTXKBXBM-HNNXBMFYSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2sc(C)nc2C)CC1 ZINC000997854475 634011568 /nfs/dbraw/zinc/01/15/68/634011568.db2.gz MYHNHWNDDMIUQU-NSHDSACASA-N 0 3 305.447 2.223 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C(C)(C)C1 ZINC000977536188 634031296 /nfs/dbraw/zinc/03/12/96/634031296.db2.gz BWAWOXDRUJQJFK-INIZCTEOSA-N 0 3 312.417 2.118 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C3CC3)cn2)C(C)(C)C1 ZINC000977538196 634032249 /nfs/dbraw/zinc/03/22/49/634032249.db2.gz DBFQUDVNPZQCEO-KRWDZBQOSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]c3ncccc23)C(C)(C)C1 ZINC000977607398 634063079 /nfs/dbraw/zinc/06/30/79/634063079.db2.gz WBRHAXCNCRXIOR-OAHLLOKOSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2csc(CC)n2)C(C)(C)C1 ZINC000977648995 634081230 /nfs/dbraw/zinc/08/12/30/634081230.db2.gz ZAIHRIABIGZOTC-AWEZNQCLSA-N 0 3 319.474 2.098 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)C(C)(C)C1 ZINC000977652867 634081958 /nfs/dbraw/zinc/08/19/58/634081958.db2.gz QLGNCOVLCDDMMG-MRXNPFEDSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCCN2CC)C(C)(C)C1 ZINC000977656461 634083623 /nfs/dbraw/zinc/08/36/23/634083623.db2.gz QLJXCGJMBMHYDD-CVEARBPZSA-N 0 3 307.482 2.264 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C(C)(C)C1 ZINC000977656475 634084297 /nfs/dbraw/zinc/08/42/97/634084297.db2.gz QLJXCGJMBMHYDD-HZPDHXFCSA-N 0 3 307.482 2.264 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(C)nn2)CC1 ZINC000998011140 634110234 /nfs/dbraw/zinc/11/02/34/634110234.db2.gz GKEDBCKJKWAIBL-MRXNPFEDSA-N 0 3 314.433 2.125 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2nn(C)cc2C)CC1 ZINC000998014999 634113042 /nfs/dbraw/zinc/11/30/42/634113042.db2.gz MIWRHFPDVUXRQJ-MRXNPFEDSA-N 0 3 316.449 2.068 20 30 DEEDHN C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998036018 634118026 /nfs/dbraw/zinc/11/80/26/634118026.db2.gz IKAQJJQCGVGVMB-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998036018 634118029 /nfs/dbraw/zinc/11/80/29/634118029.db2.gz IKAQJJQCGVGVMB-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000998081745 634136012 /nfs/dbraw/zinc/13/60/12/634136012.db2.gz XWHHYBJTHJAPMR-MRXNPFEDSA-N 0 3 316.449 2.312 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562489 634153197 /nfs/dbraw/zinc/15/31/97/634153197.db2.gz PUMOYAAYIHEHPY-LSDHHAIUSA-N 0 3 315.889 2.248 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnn(C(F)F)c2)CC1 ZINC000998167866 634157894 /nfs/dbraw/zinc/15/78/94/634157894.db2.gz BZDVQVUFKZSKBI-CQSZACIVSA-N 0 3 324.375 2.228 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2nocc2C)CC1 ZINC000998170401 634158783 /nfs/dbraw/zinc/15/87/83/634158783.db2.gz GFOMEEXGEGNAOF-OAHLLOKOSA-N 0 3 303.406 2.323 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccncc2)CC[C@H]1C(F)(F)F ZINC000998238292 634181359 /nfs/dbraw/zinc/18/13/59/634181359.db2.gz PXEZYLVVRJVKRF-OLZOCXBDSA-N 0 3 313.323 2.250 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(CF)CC2)CC[C@@H]1C(F)(F)F ZINC000998294059 634202526 /nfs/dbraw/zinc/20/25/26/634202526.db2.gz HIHXCKYINVFBHF-WDEREUQCSA-N 0 3 308.319 2.291 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001027591359 634225871 /nfs/dbraw/zinc/22/58/71/634225871.db2.gz PPQZVMOZTQXDPI-GFCCVEGCSA-N 0 3 310.319 2.274 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC000978214743 634245027 /nfs/dbraw/zinc/24/50/27/634245027.db2.gz XWJIRBZYJZWZNX-OSYLJGHBSA-N 0 3 308.381 2.364 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(OC)c2C)C1 ZINC001027597575 634253648 /nfs/dbraw/zinc/25/36/48/634253648.db2.gz LWKJYSSNXJWEST-OAHLLOKOSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001027602295 634256943 /nfs/dbraw/zinc/25/69/43/634256943.db2.gz PPCNYTUHPOILFQ-CQSZACIVSA-N 0 3 323.396 2.110 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4ccc(C)nc43)[C@@H]2C1 ZINC000978331648 634283411 /nfs/dbraw/zinc/28/34/11/634283411.db2.gz HXCCXADDQPTVEK-NNZMDNLPSA-N 0 3 319.408 2.084 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(F)cc4ccoc43)[C@@H]2C1 ZINC000978364959 634290835 /nfs/dbraw/zinc/29/08/35/634290835.db2.gz FBSCGIQOYIBTIH-PHZGNYQRSA-N 0 3 312.344 2.113 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001027612737 634291749 /nfs/dbraw/zinc/29/17/49/634291749.db2.gz ORSPPBXITYUQNB-SFHVURJKSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001027615077 634293028 /nfs/dbraw/zinc/29/30/28/634293028.db2.gz MSJMOPFHOSMYRN-HZPDHXFCSA-N 0 3 317.433 2.341 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)c(F)c3)[C@@H]2C1 ZINC000978461652 634320536 /nfs/dbraw/zinc/32/05/36/634320536.db2.gz HVJMCIAVDSZZDC-PHZGNYQRSA-N 0 3 300.377 2.065 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)[C@@H]2C1 ZINC000978506331 634333422 /nfs/dbraw/zinc/33/34/22/634333422.db2.gz IERHESKTLDJPTJ-MCEUPANISA-N 0 3 300.446 2.130 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cn(CCCC)nc2C)C1 ZINC001027643150 634374481 /nfs/dbraw/zinc/37/44/81/634374481.db2.gz GRECXIZEQYYWDX-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cncn3C)C[C@H]2C1 ZINC000980140424 634859099 /nfs/dbraw/zinc/85/90/99/634859099.db2.gz BNCXPFAWEZJTEO-MELADBBJSA-N 0 3 322.840 2.003 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ncn2cc(Cl)ccc12 ZINC001027894033 634893982 /nfs/dbraw/zinc/89/39/82/634893982.db2.gz JBMOUZAJGORVIQ-ZDUSSCGKSA-N 0 3 318.808 2.368 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001027913459 634948090 /nfs/dbraw/zinc/94/80/90/634948090.db2.gz KRLUXKBEKQGCFK-LSDHHAIUSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC000980353761 634963161 /nfs/dbraw/zinc/96/31/61/634963161.db2.gz UPQSUDOSAMRTHA-DZGCQCFKSA-N 0 3 306.381 2.312 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027920364 634967175 /nfs/dbraw/zinc/96/71/75/634967175.db2.gz HYGWZTIPVJUREH-LSDHHAIUSA-N 0 3 313.873 2.194 20 30 DEEDHN C[C@@H]1C[C@H](CNCc2ccccc2C#N)CN1C(=O)c1ccon1 ZINC000980408705 634989787 /nfs/dbraw/zinc/98/97/87/634989787.db2.gz AIECDJDRTUBVHI-ZIAGYGMSSA-N 0 3 324.384 2.187 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC000980409190 634991605 /nfs/dbraw/zinc/99/16/05/634991605.db2.gz RFAMMTFTSIKEKE-CYBMUJFWSA-N 0 3 300.362 2.002 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccnc2OC(C)C)C1 ZINC000980574650 635048883 /nfs/dbraw/zinc/04/88/83/635048883.db2.gz WEYFTFPHWJZHQP-AWEZNQCLSA-N 0 3 303.406 2.201 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001027988048 635171066 /nfs/dbraw/zinc/17/10/66/635171066.db2.gz NWRJVVQWFQNRMS-CYBMUJFWSA-N 0 3 304.438 2.478 20 30 DEEDHN C#CCN(C(=O)NCCc1sccc1C)C1CCN(C)CC1 ZINC000921784845 635200216 /nfs/dbraw/zinc/20/02/16/635200216.db2.gz HLCSBNBCYISFTF-UHFFFAOYSA-N 0 3 319.474 2.338 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C3CCC3)cnn2C)CC1 ZINC001000705302 635281807 /nfs/dbraw/zinc/28/18/07/635281807.db2.gz NGILTBMHKXXDSN-UHFFFAOYSA-N 0 3 314.433 2.236 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000947726835 635322863 /nfs/dbraw/zinc/32/28/63/635322863.db2.gz SYIDYEVRUCPPBC-DOTOQJQBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC001000891511 635331561 /nfs/dbraw/zinc/33/15/61/635331561.db2.gz QVWCJFIQZJHYPS-UHFFFAOYSA-N 0 3 302.422 2.255 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]nc2-c2ccncc2)CC1 ZINC001000903760 635336305 /nfs/dbraw/zinc/33/63/05/635336305.db2.gz PHGJWZQGGNGTOR-UHFFFAOYSA-N 0 3 323.400 2.020 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001028050072 635369550 /nfs/dbraw/zinc/36/95/50/635369550.db2.gz XIXNQYQDIAXMLT-CYBMUJFWSA-N 0 3 322.840 2.335 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC001001270269 635445553 /nfs/dbraw/zinc/44/55/53/635445553.db2.gz XDTIBHMWMRPNOA-KRWDZBQOSA-N 0 3 312.413 2.487 20 30 DEEDHN CC[C@@H](F)CN1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001322282 635462177 /nfs/dbraw/zinc/46/21/77/635462177.db2.gz YJTATIVKSCGTSX-CYBMUJFWSA-N 0 3 306.385 2.076 20 30 DEEDHN CC[C@H](F)CN1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001001329188 635465326 /nfs/dbraw/zinc/46/53/26/635465326.db2.gz FRPYJMRXKMDMOV-AWEZNQCLSA-N 0 3 306.385 2.076 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001001396443 635477086 /nfs/dbraw/zinc/47/70/86/635477086.db2.gz QSLBASZSUNLAMU-HIFRSBDPSA-N 0 3 300.402 2.478 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2oc(CCC)nc2C)CC1 ZINC001001377248 635482397 /nfs/dbraw/zinc/48/23/97/635482397.db2.gz STHSLFSGAJCHJB-UHFFFAOYSA-N 0 3 303.406 2.483 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn3c(n2)C[C@@H](C)CC3)CC1 ZINC000981447338 635486860 /nfs/dbraw/zinc/48/68/60/635486860.db2.gz TZRQJJVCYYMAAQ-HNNXBMFYSA-N 0 3 316.449 2.189 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccnn2CC(C)C)CC1 ZINC001001449075 635507826 /nfs/dbraw/zinc/50/78/26/635507826.db2.gz PYRHYSQSJLSPMV-UHFFFAOYSA-N 0 3 316.449 2.004 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Cc3cccc(C)c3O2)CC1 ZINC001001501532 635513122 /nfs/dbraw/zinc/51/31/22/635513122.db2.gz JPCVBPJIFWXONE-KRWDZBQOSA-N 0 3 312.413 2.233 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC001001576436 635530846 /nfs/dbraw/zinc/53/08/46/635530846.db2.gz IBCNQKJPYAROGA-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC000981601353 635548531 /nfs/dbraw/zinc/54/85/31/635548531.db2.gz CRBHVFAAWULUHH-SJLPKXTDSA-N 0 3 306.450 2.446 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2nc(Cl)cs2)CC1 ZINC001001756597 635550384 /nfs/dbraw/zinc/55/03/84/635550384.db2.gz DZYGEUMXXUDGMA-UHFFFAOYSA-N 0 3 311.838 2.262 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cccc3c2CCOC3)CC1 ZINC000981600264 635555455 /nfs/dbraw/zinc/55/54/55/635555455.db2.gz VJHYHXVBDVYXFV-UHFFFAOYSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000981918545 635727998 /nfs/dbraw/zinc/72/79/98/635727998.db2.gz XOWZLYIOZYXCDS-OAHLLOKOSA-N 0 3 316.449 2.024 20 30 DEEDHN C=CCCCCCN(C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000150873849 635750560 /nfs/dbraw/zinc/75/05/60/635750560.db2.gz WJSLMDDCKMQOQT-UHFFFAOYSA-N 0 3 310.438 2.030 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1-n1cccn1 ZINC001028165102 635760288 /nfs/dbraw/zinc/76/02/88/635760288.db2.gz PSFVFZBVFPFCFL-OAHLLOKOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C3(c4cc(C)no4)CC3)C2)C1 ZINC000981960604 635769461 /nfs/dbraw/zinc/76/94/61/635769461.db2.gz YNOYWXKKUJNTEK-UHFFFAOYSA-N 0 3 315.417 2.125 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@H](C)C(C)(C)C)CCO2 ZINC000949126334 635797353 /nfs/dbraw/zinc/79/73/53/635797353.db2.gz LEVFLEGJTHOAKL-INIZCTEOSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc([C@H](C)OC)s2)CC1 ZINC001002822970 635810216 /nfs/dbraw/zinc/81/02/16/635810216.db2.gz JHVGMRRXQUZMRC-NSHDSACASA-N 0 3 309.435 2.231 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnnc3ccccc32)CC1 ZINC000982033402 635830937 /nfs/dbraw/zinc/83/09/37/635830937.db2.gz MKLUMQPMAILCPL-UHFFFAOYSA-N 0 3 310.401 2.354 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cccc(N3CC=CC3)c2)CC1 ZINC000982047318 635853813 /nfs/dbraw/zinc/85/38/13/635853813.db2.gz PSZRILIREOUXBD-UHFFFAOYSA-N 0 3 323.440 2.234 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c[nH]nc3C(C)(C)C)C2)C1 ZINC000982110525 635873740 /nfs/dbraw/zinc/87/37/40/635873740.db2.gz UOQGOINFWJLUEQ-UHFFFAOYSA-N 0 3 316.449 2.431 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c(C)nsc3C)C2)C1 ZINC000982166659 635893985 /nfs/dbraw/zinc/89/39/85/635893985.db2.gz JRHSIPZJKBUPCG-UHFFFAOYSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[C@H]3OC)C2)C1 ZINC000982169120 635894719 /nfs/dbraw/zinc/89/47/19/635894719.db2.gz OZANEVKAWPCUOS-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CCc3cscn3)C2)C1 ZINC000982169524 635894976 /nfs/dbraw/zinc/89/49/76/635894976.db2.gz HYIJQZLYSXOYSC-UHFFFAOYSA-N 0 3 305.447 2.186 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC000982205524 635906500 /nfs/dbraw/zinc/90/65/00/635906500.db2.gz XFNZASNRXWHKAM-UHFFFAOYSA-N 0 3 302.422 2.208 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000982228444 635914046 /nfs/dbraw/zinc/91/40/46/635914046.db2.gz XTDLMKALILMBDV-UHFFFAOYSA-N 0 3 304.438 2.244 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cc[nH]c3CC)C[C@]2(C)C1 ZINC000982273312 635934200 /nfs/dbraw/zinc/93/42/00/635934200.db2.gz NKSDAWMLMXJVKB-KDURUIRLSA-N 0 3 313.445 2.384 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C[C@@H]1C ZINC000947360516 635944424 /nfs/dbraw/zinc/94/44/24/635944424.db2.gz FZUUSOWNJFPAQD-UONOGXRCSA-N 0 3 304.438 2.407 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)CCc3ccsc3)C[C@]2(C)C1 ZINC000982296101 635953634 /nfs/dbraw/zinc/95/36/34/635953634.db2.gz JQGSVGAITYTHNA-HDICACEKSA-N 0 3 316.470 2.484 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001028252492 635961331 /nfs/dbraw/zinc/96/13/31/635961331.db2.gz WHEREENWTAVDMK-ZDUSSCGKSA-N 0 3 303.406 2.190 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028268456 635987027 /nfs/dbraw/zinc/98/70/27/635987027.db2.gz TVERYQYJYHZTMW-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN COC(=O)[C@@H](C)Oc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000922199087 635989701 /nfs/dbraw/zinc/98/97/01/635989701.db2.gz XGOAJVKPXWMAEI-VNHYZAJKSA-N 0 3 302.374 2.409 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2C2CCCC2)C[C@@H]1C ZINC000947362051 636003777 /nfs/dbraw/zinc/00/37/77/636003777.db2.gz UIVKWHMXXAIKOP-GJZGRUSLSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC001028331749 636132909 /nfs/dbraw/zinc/13/29/09/636132909.db2.gz 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/nfs/dbraw/zinc/37/50/92/636375092.db2.gz WITGFFKXKFODHJ-UHFFFAOYSA-N 0 3 304.438 2.326 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028594026 636460036 /nfs/dbraw/zinc/46/00/36/636460036.db2.gz ZGPLFUQIYNQKCU-ZBKLQPJUSA-N 0 3 307.825 2.478 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001028633798 636522940 /nfs/dbraw/zinc/52/29/40/636522940.db2.gz PSYYLVHIQDPUOS-CQSZACIVSA-N 0 3 309.369 2.027 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001028668631 636590510 /nfs/dbraw/zinc/59/05/10/636590510.db2.gz HPGSCENIVVVOTA-INIZCTEOSA-N 0 3 307.397 2.162 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2scnc2C(F)F)C1 ZINC001028684209 636624070 /nfs/dbraw/zinc/62/40/70/636624070.db2.gz LFBZVOAABYSEQM-JTQLQIEISA-N 0 3 313.373 2.156 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnc3ccccc3c2)C1 ZINC001028833378 636772181 /nfs/dbraw/zinc/77/21/81/636772181.db2.gz HSAQJYGTLCDNHH-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc([C@@H](C)CC)no2)C1 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Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cnccn1 ZINC000796620966 644765562 /nfs/dbraw/zinc/76/55/62/644765562.db2.gz XVGIQCZVDVPFHB-ZDUSSCGKSA-N 0 3 305.341 2.172 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1c(C)nn(CC)c1C ZINC000796740360 644785939 /nfs/dbraw/zinc/78/59/39/644785939.db2.gz KJYVACMLFSUWHX-HNNXBMFYSA-N 0 3 318.421 2.078 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000797071050 644834080 /nfs/dbraw/zinc/83/40/80/644834080.db2.gz PNEHRTLCBFODAM-KBPBESRZSA-N 0 3 321.442 2.315 20 30 DEEDHN CCN1CCCN(C(=O)c2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC000910279948 645385564 /nfs/dbraw/zinc/38/55/64/645385564.db2.gz GYBHNVWQAUWQMO-LLVKDONJSA-N 0 3 306.797 2.163 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000801938580 645465890 /nfs/dbraw/zinc/46/58/90/645465890.db2.gz IKUMVZQMYXAEPO-GWCFXTLKSA-N 0 3 313.195 2.001 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000801954636 645469439 /nfs/dbraw/zinc/46/94/39/645469439.db2.gz KPHPQZHWDLMYFX-RDJZCZTQSA-N 0 3 311.385 2.108 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)COC(F)F)c1ccccc1 ZINC000802800451 645560895 /nfs/dbraw/zinc/56/08/95/645560895.db2.gz RQZZPSBJSFBWRE-NWDGAFQWSA-N 0 3 310.300 2.202 20 30 DEEDHN CC[C@H](C)[C@H](NC(C)=O)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000802812898 645562614 /nfs/dbraw/zinc/56/26/14/645562614.db2.gz HHHRRGNZTJOOPZ-PPHDSNJXSA-N 0 3 324.384 2.357 20 30 DEEDHN C#CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000806876908 645883326 /nfs/dbraw/zinc/88/33/26/645883326.db2.gz HPMUTFBSFXIAMT-INIZCTEOSA-N 0 3 303.406 2.011 20 30 DEEDHN C#C[C@H](NC(=O)N(CCC)CCN1CCCCC1)[C@@H]1CCCO1 ZINC000807138483 645914739 /nfs/dbraw/zinc/91/47/39/645914739.db2.gz CSMKQJOYDVGGHT-IRXDYDNUSA-N 0 3 321.465 2.075 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000912066945 645924146 /nfs/dbraw/zinc/92/41/46/645924146.db2.gz WJZUVDKQGFEDBB-OAHLLOKOSA-N 0 3 301.390 2.436 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000912050796 645928490 /nfs/dbraw/zinc/92/84/90/645928490.db2.gz WXLRLQVYKMHJBS-OAHLLOKOSA-N 0 3 317.433 2.350 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cn1 ZINC000807704169 645978922 /nfs/dbraw/zinc/97/89/22/645978922.db2.gz UHNVAXVIYJHTNA-QGZVFWFLSA-N 0 3 311.360 2.235 20 30 DEEDHN CN(C)CCN1c2ccccc2C(=NNCc2ccccc2)C1=O ZINC000807954986 646012075 /nfs/dbraw/zinc/01/20/75/646012075.db2.gz JPOKZPQSOLRDKO-UHFFFAOYSA-N 0 3 322.412 2.089 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000912359102 646035656 /nfs/dbraw/zinc/03/56/56/646035656.db2.gz MNRZTEBTIFELSE-AWEZNQCLSA-N 0 3 303.406 2.319 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(COCCOC)c1 ZINC000912410996 646062484 /nfs/dbraw/zinc/06/24/84/646062484.db2.gz XCRCVIPQCCVLBA-MRXNPFEDSA-N 0 3 306.406 2.472 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cnn(C)c3Cl)CCC[C@H]12 ZINC000991390656 646121893 /nfs/dbraw/zinc/12/18/93/646121893.db2.gz UYBXDUJVIHKAEQ-BBRMVZONSA-N 0 3 322.840 2.376 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@H]12 ZINC000991390985 646127031 /nfs/dbraw/zinc/12/70/31/646127031.db2.gz VZMFTTHOYCQNKQ-FUHWJXTLSA-N 0 3 310.401 2.476 20 30 DEEDHN CN1CCN(c2ccc(NCc3nc(C#N)cs3)cc2)CC1 ZINC000810148775 646331831 /nfs/dbraw/zinc/33/18/31/646331831.db2.gz MOCGFICRVTUDIS-UHFFFAOYSA-N 0 3 313.430 2.379 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC000950330433 646409811 /nfs/dbraw/zinc/40/98/11/646409811.db2.gz GBYNVGMRLYBXPW-INIZCTEOSA-N 0 3 316.449 2.329 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000156525515 646428861 /nfs/dbraw/zinc/42/88/61/646428861.db2.gz PZVADRRAEAKYCP-OLZOCXBDSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccn4nccc34)CCC[C@@H]12 ZINC000991597878 646529812 /nfs/dbraw/zinc/52/98/12/646529812.db2.gz RJZIGIIZDICEGZ-MJGOQNOKSA-N 0 3 322.412 2.084 20 30 DEEDHN C=CCCN1CC[C@]2(NC(=O)c3snnc3CC)CCC[C@H]12 ZINC000991679940 646579396 /nfs/dbraw/zinc/57/93/96/646579396.db2.gz MPYMNJACCUAVRE-XJKSGUPXSA-N 0 3 320.462 2.403 20 30 DEEDHN C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)C[C@@H]1C ZINC000947334313 646618037 /nfs/dbraw/zinc/61/80/37/646618037.db2.gz KNKXKXVYZDJBCJ-STQMWFEESA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)C[C@@H]1C ZINC000947334313 646618040 /nfs/dbraw/zinc/61/80/40/646618040.db2.gz KNKXKXVYZDJBCJ-STQMWFEESA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)C[C@H]1C ZINC000948002027 646675302 /nfs/dbraw/zinc/67/53/02/646675302.db2.gz ISQYAFKVGMDGFY-HIFRSBDPSA-N 0 3 304.821 2.485 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc4n[nH]cc4c3)CCC[C@@H]12 ZINC000992144139 646871860 /nfs/dbraw/zinc/87/18/60/646871860.db2.gz GPBLGVIXBDFIOF-MJGOQNOKSA-N 0 3 322.412 2.313 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3ocnc3C3CC3)CCC[C@@H]12 ZINC000992170676 646883500 /nfs/dbraw/zinc/88/35/00/646883500.db2.gz KKWLYLJBUXGWCY-RDTXWAMCSA-N 0 3 313.401 2.302 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000815082474 646965393 /nfs/dbraw/zinc/96/53/93/646965393.db2.gz TXGMXVAYLAPFBY-OAHLLOKOSA-N 0 3 322.474 2.434 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(CC4CC4)c3)CCC[C@@H]12 ZINC000992422645 646989939 /nfs/dbraw/zinc/98/99/39/646989939.db2.gz DUKSKVUUKKBLKF-AEFFLSMTSA-N 0 3 314.433 2.206 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000815541812 647029778 /nfs/dbraw/zinc/02/97/78/647029778.db2.gz OLSNODRUAWCASY-MRXNPFEDSA-N 0 3 320.396 2.395 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccccc3F)CCC[C@H]12 ZINC000992464375 647036304 /nfs/dbraw/zinc/03/63/04/647036304.db2.gz HQKMRLFNYBSJSN-WMZOPIPTSA-N 0 3 300.377 2.115 20 30 DEEDHN CCc1ccc(C#CC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000815878298 647060604 /nfs/dbraw/zinc/06/06/04/647060604.db2.gz AORPJPQHVKWYRH-DLBZAZTESA-N 0 3 316.470 2.105 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cn3ccc4ccccc43)CCC[C@@H]12 ZINC000992491883 647066053 /nfs/dbraw/zinc/06/60/53/647066053.db2.gz HFIJVWDKKZKJRV-QUCCMNQESA-N 0 3 321.424 2.388 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc4n3CCCC4)CCC[C@@H]12 ZINC000992496122 647069924 /nfs/dbraw/zinc/06/99/24/647069924.db2.gz MRKHPOVRLQRAHE-QAPCUYQASA-N 0 3 314.433 2.132 20 30 DEEDHN CN(C)[C@H](CNC(=O)N1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000913888383 647083091 /nfs/dbraw/zinc/08/30/91/647083091.db2.gz BXWRQVJVWTUVPK-IRXDYDNUSA-N 0 3 314.433 2.104 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000152353903 647142741 /nfs/dbraw/zinc/14/27/41/647142741.db2.gz PTMZACZSAKAMFF-VXGBXAGGSA-N 0 3 304.346 2.158 20 30 DEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000152354158 647142965 /nfs/dbraw/zinc/14/29/65/647142965.db2.gz PTMZACZSAKAMFF-RYUDHWBXSA-N 0 3 304.346 2.158 20 30 DEEDHN COc1cccc(CN2CCC(Nc3cncc(C#N)n3)CC2)c1 ZINC000817118378 647224343 /nfs/dbraw/zinc/22/43/43/647224343.db2.gz UJTDBEDFLYSQHY-UHFFFAOYSA-N 0 3 323.400 2.433 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccccc1SCC#N ZINC000817677298 647341106 /nfs/dbraw/zinc/34/11/06/647341106.db2.gz QVSPJAAGFKJXIY-ZDUSSCGKSA-N 0 3 303.431 2.468 20 30 DEEDHN N#Cc1ccc([C@H](O)CNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000819168815 647598763 /nfs/dbraw/zinc/59/87/63/647598763.db2.gz TXDDJAWRERROHH-CQSZACIVSA-N 0 3 324.306 2.140 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3cccnc3n2)[C@@H]1C ZINC000993333658 647614883 /nfs/dbraw/zinc/61/48/83/647614883.db2.gz HVIXBGZPVCOAQI-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H]1C ZINC000993339836 647620153 /nfs/dbraw/zinc/62/01/53/647620153.db2.gz TYLSTAAEUNXGLP-TZMCWYRMSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H]1C ZINC000993346408 647622493 /nfs/dbraw/zinc/62/24/93/647622493.db2.gz NZPITAGJADJYGH-LSDHHAIUSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn(C)nc2C2CC2)[C@H]1C ZINC000993423180 647663288 /nfs/dbraw/zinc/66/32/88/647663288.db2.gz YUDAVHZVPSRBHQ-CJNGLKHVSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)[C@H]1C ZINC000993442960 647670629 /nfs/dbraw/zinc/67/06/29/647670629.db2.gz LFBFKKQEEBUZHH-PWSUYJOCSA-N 0 3 310.829 2.394 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@H]1C ZINC000993477512 647676027 /nfs/dbraw/zinc/67/60/27/647676027.db2.gz NNEWXBZKMXSGGR-NVXWUHKLSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cnccc2C)[C@@H]1C ZINC000993466949 647679145 /nfs/dbraw/zinc/67/91/45/647679145.db2.gz SBEASLLYZLXQCI-DOTOQJQBSA-N 0 3 301.434 2.478 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H]1C ZINC000993491238 647686561 /nfs/dbraw/zinc/68/65/61/647686561.db2.gz WDABRIVUIQEWSQ-SMDDNHRTSA-N 0 3 307.463 2.458 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H]1C ZINC000993565990 647702524 /nfs/dbraw/zinc/70/25/24/647702524.db2.gz JWBJETCMUBKBBL-KBPBESRZSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(COC)c2)[C@@H]1C ZINC000993570018 647702538 /nfs/dbraw/zinc/70/25/38/647702538.db2.gz OMKMRFPGUJFFFC-YJBOKZPZSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C3CC3)CCOCC2)[C@H]1C ZINC000993634288 647719785 /nfs/dbraw/zinc/71/97/85/647719785.db2.gz PWHVUAGVRIBPOP-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(F)ccc2OC)[C@@H]1C ZINC000993671855 647722382 /nfs/dbraw/zinc/72/23/82/647722382.db2.gz NQMBNHYJCKSIQJ-BBRMVZONSA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H]1C ZINC000993820349 647749836 /nfs/dbraw/zinc/74/98/36/647749836.db2.gz QGVWAHZXMOAMPJ-ZFWWWQNUSA-N 0 3 303.406 2.254 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1C ZINC000993840620 647754347 /nfs/dbraw/zinc/75/43/47/647754347.db2.gz GFRGTAGERKJHGS-OCCSQVGLSA-N 0 3 302.422 2.446 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccn3ccnc23)[C@@H]1C ZINC000993982728 647773342 /nfs/dbraw/zinc/77/33/42/647773342.db2.gz GLMGUQWMESRGCM-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)nn(CC)c2C)[C@H]1C ZINC000994029659 647780520 /nfs/dbraw/zinc/78/05/20/647780520.db2.gz ZHTTVMHUMSLOTL-GDBMZVCRSA-N 0 3 316.449 2.126 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn(CCC)nc2C)[C@H]1C ZINC000994099399 647784255 /nfs/dbraw/zinc/78/42/55/647784255.db2.gz LGXMNOQTZSJTJO-WBVHZDCISA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H]1C ZINC000994188772 647803123 /nfs/dbraw/zinc/80/31/23/647803123.db2.gz KTLXXGBGVHMHFJ-GJZGRUSLSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H]1C ZINC000994188772 647803126 /nfs/dbraw/zinc/80/31/26/647803126.db2.gz KTLXXGBGVHMHFJ-GJZGRUSLSA-N 0 3 316.449 2.448 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(OC)cc2)[C@H]1C ZINC000994300199 647907054 /nfs/dbraw/zinc/90/70/54/647907054.db2.gz FGMGFELGPVNLDW-RHSMWYFYSA-N 0 3 302.418 2.393 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccnc2OCC)[C@@H]1C ZINC000994334622 647913326 /nfs/dbraw/zinc/91/33/26/647913326.db2.gz ZLCOQJWXUMGKQA-GOEBONIOSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn3c(cccc3C)n2)[C@H]1C ZINC000994372332 647921045 /nfs/dbraw/zinc/92/10/45/647921045.db2.gz HWZNSKDLCIKZPX-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccc(Cl)cc1 ZINC000916890865 647937291 /nfs/dbraw/zinc/93/72/91/647937291.db2.gz PHPVRWIBLKSIEX-AWEZNQCLSA-N 0 3 322.792 2.134 20 30 DEEDHN Cc1cc(C)n(CCC(=O)C(C#N)C(=O)NC2CCCCC2)n1 ZINC000916893554 647938053 /nfs/dbraw/zinc/93/80/53/647938053.db2.gz CVZWXDGGLAJQLM-HNNXBMFYSA-N 0 3 316.405 2.048 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccccc1C(C)C ZINC000916916887 647939347 /nfs/dbraw/zinc/93/93/47/647939347.db2.gz DIIYMNIWTOMKGM-AWEZNQCLSA-N 0 3 300.358 2.200 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@H]1C ZINC000994410284 647944041 /nfs/dbraw/zinc/94/40/41/647944041.db2.gz SIDMZQOZMATGLZ-DOMZBBRYSA-N 0 3 315.417 2.045 20 30 DEEDHN C=C1CCC(CNC(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000917828950 648035178 /nfs/dbraw/zinc/03/51/78/648035178.db2.gz JNBVEHKOOGGPLF-INIZCTEOSA-N 0 3 309.454 2.143 20 30 DEEDHN Cc1noc(C)c1[C@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000155070698 648178092 /nfs/dbraw/zinc/17/80/92/648178092.db2.gz HDVQGVCSILFNGK-ZWNOBZJWSA-N 0 3 303.362 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649349831 /nfs/dbraw/zinc/34/98/31/649349831.db2.gz DAYRSUYOPOFPPQ-APWZRJJASA-N 0 3 323.440 2.136 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2ccccc2OC)C1 ZINC000829769044 649352867 /nfs/dbraw/zinc/35/28/67/649352867.db2.gz NHZIUKGDMYJBHY-OAHLLOKOSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000829783746 649355045 /nfs/dbraw/zinc/35/50/45/649355045.db2.gz BQFFHXFLAIYQJD-OAHLLOKOSA-N 0 3 318.392 2.056 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cc3cnccc3o2)CC1 ZINC000829795389 649357647 /nfs/dbraw/zinc/35/76/47/649357647.db2.gz FYTXUSBDPVOQFM-CYBMUJFWSA-N 0 3 311.385 2.350 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2sc(CC)nc2C)[C@@H](C)C1 ZINC000943495456 649388822 /nfs/dbraw/zinc/38/88/22/649388822.db2.gz DAKOJWWSYQROHE-JSGCOSHPSA-N 0 3 319.474 2.477 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3c2ccn3C)[C@@H](C)C1 ZINC000943649102 649409003 /nfs/dbraw/zinc/40/90/03/649409003.db2.gz WWXXDCZPOLGEPX-WMLDXEAASA-N 0 3 309.413 2.252 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c2ccn3C)[C@@H](C)C1 ZINC000943649104 649409052 /nfs/dbraw/zinc/40/90/52/649409052.db2.gz WWXXDCZPOLGEPX-YOEHRIQHSA-N 0 3 309.413 2.252 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2snnc2C(C)C)[C@H](C)C1 ZINC000943745590 649419161 /nfs/dbraw/zinc/41/91/61/649419161.db2.gz UTFVQBKWXCAHOY-NEPJUHHUSA-N 0 3 308.451 2.288 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)[C@H](C)C1 ZINC000943771497 649427224 /nfs/dbraw/zinc/42/72/24/649427224.db2.gz HLSRRGAJIXGHPE-WBVHZDCISA-N 0 3 316.449 2.003 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@@H](C)C1 ZINC000943964133 649466743 /nfs/dbraw/zinc/46/67/43/649466743.db2.gz CYVPJXDSPKXERA-ZFWWWQNUSA-N 0 3 303.406 2.262 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC)c2C2CC2)[C@H](C)C1 ZINC000944032816 649475386 /nfs/dbraw/zinc/47/53/86/649475386.db2.gz HVOYMMYSWDODQT-CJNGLKHVSA-N 0 3 316.449 2.407 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(CC=C)C[C@@H]1C ZINC000944061552 649478199 /nfs/dbraw/zinc/47/81/99/649478199.db2.gz 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C=C[C@@H](C)ONC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000845634017 651264288 /nfs/dbraw/zinc/26/42/88/651264288.db2.gz RMUXWJRVAYTZKE-GDBMZVCRSA-N 0 3 303.406 2.456 20 30 DEEDHN CC([C@@H](OC(=O)CSCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845871916 651290866 /nfs/dbraw/zinc/29/08/66/651290866.db2.gz BONQZOCJDMXMMM-TVQRCGJNSA-N 0 3 312.322 2.332 20 30 DEEDHN C#CCOCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876060 651291254 /nfs/dbraw/zinc/29/12/54/651291254.db2.gz MXNUNKKIZJRTPA-ABAIWWIYSA-N 0 3 309.293 2.115 20 30 DEEDHN C#CCOCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876065 651291577 /nfs/dbraw/zinc/29/15/77/651291577.db2.gz MXNUNKKIZJRTPA-XHDPSFHLSA-N 0 3 309.293 2.115 20 30 DEEDHN C=C(C)CONC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000846539120 651336450 /nfs/dbraw/zinc/33/64/50/651336450.db2.gz OUKCBNCIRULDSV-UHFFFAOYSA-N 0 3 317.433 2.213 20 30 DEEDHN C=C[C@H](C)ONC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000846548565 651337730 /nfs/dbraw/zinc/33/77/30/651337730.db2.gz FTDFMVSXMGAJQE-HNNXBMFYSA-N 0 3 317.433 2.453 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1c(F)cccc1F ZINC000847624143 651406151 /nfs/dbraw/zinc/40/61/51/651406151.db2.gz KHWDHSKBRKQJLL-LBPRGKRZSA-N 0 3 306.312 2.299 20 30 DEEDHN CON=Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848349965 651453705 /nfs/dbraw/zinc/45/37/05/651453705.db2.gz MKVOULQLRMXGGH-IAGOWNOFSA-N 0 3 315.417 2.414 20 30 DEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)n1 ZINC000855164646 651638649 /nfs/dbraw/zinc/63/86/49/651638649.db2.gz ONTIPQLWBRLWTG-LLVKDONJSA-N 0 3 306.797 2.209 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccnc3ccccc23)CC1 ZINC000855394743 651688883 /nfs/dbraw/zinc/68/88/83/651688883.db2.gz MZOCWPYFAOAYRE-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cn(C)c3ccccc23)CC1 ZINC000855789425 651779814 /nfs/dbraw/zinc/77/98/14/651779814.db2.gz LKINNKLXUKXKDR-UHFFFAOYSA-N 0 3 323.440 2.182 20 30 DEEDHN COC[C@H](C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000857066878 652045330 /nfs/dbraw/zinc/04/53/30/652045330.db2.gz YZEYTTOASCWBQX-INIZCTEOSA-N 0 3 302.374 2.368 20 30 DEEDHN C#CCN(CC)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851798573 652242448 /nfs/dbraw/zinc/24/24/48/652242448.db2.gz GDGRSIUQTIOVES-AWEZNQCLSA-N 0 3 308.422 2.110 20 30 DEEDHN C#CC[C@H](CCOC)NCc1ccc(OC)c(OC)c1OC ZINC000858331594 652309640 /nfs/dbraw/zinc/30/96/40/652309640.db2.gz FSNYKOPSDLDLQM-CQSZACIVSA-N 0 3 307.390 2.230 20 30 DEEDHN C#CC[C@@H](COC)NCc1cn(-c2ccccc2F)nc1C ZINC000858334599 652310055 /nfs/dbraw/zinc/31/00/55/652310055.db2.gz QNRWIICFECPCGO-HNNXBMFYSA-N 0 3 301.365 2.448 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000852062487 652329228 /nfs/dbraw/zinc/32/92/28/652329228.db2.gz GARQNEPSVPVKCE-QZWWFDLISA-N 0 3 321.465 2.284 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000852102982 652339398 /nfs/dbraw/zinc/33/93/98/652339398.db2.gz VFHYJSIRMHJXAG-PXAZEXFGSA-N 0 3 308.372 2.404 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000852101611 652339606 /nfs/dbraw/zinc/33/96/06/652339606.db2.gz SKJKPWVOGIJZTN-SFHVURJKSA-N 0 3 320.408 2.445 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000852358623 652391165 /nfs/dbraw/zinc/39/11/65/652391165.db2.gz WIEOKDBMWFQYRK-INIZCTEOSA-N 0 3 303.381 2.237 20 30 DEEDHN C=C[C@H](C)ONC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000854220742 652659808 /nfs/dbraw/zinc/65/98/08/652659808.db2.gz YVSYTDJTUFGSCF-AWEZNQCLSA-N 0 3 318.421 2.099 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CCC1(F)F)NCc1ccc(C#N)s1 ZINC001390412202 1155706902 /nfs/dbraw/zinc/70/69/02/1155706902.db2.gz WCTHTDVMNGQICD-CABZTGNLSA-N 0 3 313.373 2.259 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C1(C)CC1 ZINC001392067357 1156861506 /nfs/dbraw/zinc/86/15/06/1156861506.db2.gz TWDGQTFNHQSKTO-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1C ZINC000928434573 693778619 /nfs/dbraw/zinc/77/86/19/693778619.db2.gz JDCZKOYRYCOZBU-IAQYHMDHSA-N 0 3 303.381 2.184 20 30 DEEDHN N#CC(C(=O)CCc1cscn1)C(=O)NC1CCCCC1 ZINC000078701390 683965778 /nfs/dbraw/zinc/96/57/78/683965778.db2.gz XSNDRDVODJCTMR-CYBMUJFWSA-N 0 3 305.403 2.233 20 30 DEEDHN COC(=O)C1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000079055370 683969695 /nfs/dbraw/zinc/96/96/95/683969695.db2.gz YXMOOBIIMTZXCQ-UHFFFAOYSA-N 0 3 302.374 2.212 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001054035988 693817789 /nfs/dbraw/zinc/81/77/89/693817789.db2.gz ZASTVEZGRYVANZ-ROUUACIJSA-N 0 3 314.429 2.142 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001054035987 693818033 /nfs/dbraw/zinc/81/80/33/693818033.db2.gz ZASTVEZGRYVANZ-QZTJIDSGSA-N 0 3 314.429 2.142 20 30 DEEDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000130018925 684184205 /nfs/dbraw/zinc/18/42/05/684184205.db2.gz HWEKGFKSVVJVJU-MRXNPFEDSA-N 0 3 321.377 2.028 20 30 DEEDHN Cc1ccc(C)c(C(=O)CCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000130821474 684192993 /nfs/dbraw/zinc/19/29/93/684192993.db2.gz JQHOWKWXQTUFFZ-OAHLLOKOSA-N 0 3 314.385 2.500 20 30 DEEDHN Cc1cccc(C)c1OCCC(=O)C(C#N)C(=O)NC(C)C ZINC000130981269 684194957 /nfs/dbraw/zinc/19/49/57/684194957.db2.gz SSCFSDGTCUSEGN-AWEZNQCLSA-N 0 3 302.374 2.306 20 30 DEEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000133452512 684219558 /nfs/dbraw/zinc/21/95/58/684219558.db2.gz YHAKYJAXKLWZAN-ZDUSSCGKSA-N 0 3 313.382 2.116 20 30 DEEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000133452323 684219735 /nfs/dbraw/zinc/21/97/35/684219735.db2.gz YHAKYJAXKLWZAN-CYBMUJFWSA-N 0 3 313.382 2.116 20 30 DEEDHN COc1ccc(C[C@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000136663670 684241032 /nfs/dbraw/zinc/24/10/32/684241032.db2.gz KZUNIZCVQHAXCV-SWLSCSKDSA-N 0 3 302.374 2.107 20 30 DEEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccccn2)n1 ZINC000155281848 684269770 /nfs/dbraw/zinc/26/97/70/684269770.db2.gz UJXHPQGXTCUYHV-GFCCVEGCSA-N 0 3 324.340 2.225 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1c(C)ccn1C)C2 ZINC001054123597 693854615 /nfs/dbraw/zinc/85/46/15/693854615.db2.gz YTZSAIMLMRWDKU-IBGZPJMESA-N 0 3 313.445 2.285 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1nc(Cl)cs1)C2 ZINC001054184430 693874068 /nfs/dbraw/zinc/87/40/68/693874068.db2.gz DGEQIIQTBGUMDR-OAHLLOKOSA-N 0 3 323.849 2.358 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCO[C@H]1CC)C2 ZINC001054167576 693868396 /nfs/dbraw/zinc/86/83/96/693868396.db2.gz HJXQCZKQONILJZ-ZIFCJYIRSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001054202250 693880371 /nfs/dbraw/zinc/88/03/71/693880371.db2.gz AHBNVLOFQFPLJY-NSHGMRRFSA-N 0 3 323.440 2.133 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCn1cccc1)C2 ZINC001054219474 693888312 /nfs/dbraw/zinc/88/83/12/693888312.db2.gz OFCSRGYQWGUISD-IBGZPJMESA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1oc(CC)nc1C)C2 ZINC001054223860 693888772 /nfs/dbraw/zinc/88/87/72/693888772.db2.gz JZJCXZZLLYWAKH-SFHVURJKSA-N 0 3 315.417 2.107 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)c1cccnc1)C2 ZINC001054228143 693891287 /nfs/dbraw/zinc/89/12/87/693891287.db2.gz OYLCHAQEKQMSGY-APWZRJJASA-N 0 3 311.429 2.133 20 30 DEEDHN Cc1cc(C)c(OCC(=O)C(C#N)C(=O)N2CCCC2)c(C)c1 ZINC000193354002 685038445 /nfs/dbraw/zinc/03/84/45/685038445.db2.gz LJBRTMOZGWLIKR-HNNXBMFYSA-N 0 3 314.385 2.322 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(C)n1 ZINC000193366035 685038740 /nfs/dbraw/zinc/03/87/40/685038740.db2.gz BLDBTEUZYBWPHP-CYBMUJFWSA-N 0 3 307.419 2.399 20 30 DEEDHN N#CCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193398612 685039916 /nfs/dbraw/zinc/03/99/16/685039916.db2.gz XCNOOIPFAHDSJO-NSHDSACASA-N 0 3 307.762 2.244 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)OC)cc1Cl ZINC000195492351 685100439 /nfs/dbraw/zinc/10/04/39/685100439.db2.gz ARZPXCJVWFEGNL-MWLCHTKSSA-N 0 3 324.764 2.421 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000246626919 685133646 /nfs/dbraw/zinc/13/36/46/685133646.db2.gz UFAVNWYXESPQBZ-GMBSWORKSA-N 0 3 308.381 2.268 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000859250803 685691002 /nfs/dbraw/zinc/69/10/02/685691002.db2.gz NMMYDQPPRNZLAJ-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN(CC)Cc2cnn(C)c2)cc1 ZINC000929464027 693960883 /nfs/dbraw/zinc/96/08/83/693960883.db2.gz IZIWKPYDELKZBA-UHFFFAOYSA-N 0 3 310.401 2.252 20 30 DEEDHN N#Cc1cccc(OC2CCN(CCO[C@@H]3CCOC3)CC2)c1 ZINC000929524087 693973251 /nfs/dbraw/zinc/97/32/51/693973251.db2.gz OJGJISONMNHTOH-GOSISDBHSA-N 0 3 316.401 2.207 20 30 DEEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000860467341 685930413 /nfs/dbraw/zinc/93/04/13/685930413.db2.gz JWUNSRHZJGDMMI-HUUCEWRRSA-N 0 3 302.374 2.217 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)COCC(F)F)c1ccccc1 ZINC000860695276 685952124 /nfs/dbraw/zinc/95/21/24/685952124.db2.gz RSYACCWIMZEGKK-QWHCGFSZSA-N 0 3 324.327 2.244 20 30 DEEDHN CCCCCCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000861507932 686137712 /nfs/dbraw/zinc/13/77/12/686137712.db2.gz GTASMNGZMHFLLD-UHFFFAOYSA-N 0 3 303.406 2.315 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1cccc(Cl)n1 ZINC001054633761 694010728 /nfs/dbraw/zinc/01/07/28/694010728.db2.gz BHRDOCJWKDQLQZ-IUODEOHRSA-N 0 3 317.820 2.085 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1ccnc(Cl)c1 ZINC001054637571 694011924 /nfs/dbraw/zinc/01/19/24/694011924.db2.gz NMBHRJHGSALPJM-IUODEOHRSA-N 0 3 317.820 2.085 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1ccccc1F ZINC001054636604 694012070 /nfs/dbraw/zinc/01/20/70/694012070.db2.gz KTYWCWFDDLWLOP-SUMWQHHRSA-N 0 3 300.377 2.176 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001375548948 1158809602 /nfs/dbraw/zinc/80/96/02/1158809602.db2.gz SHRKDTDUTMGFCI-LERXQTSPSA-N 0 3 324.856 2.367 20 30 DEEDHN C=CCN1CCC(Nc2nc(N)nc(C3CCCC3)n2)CC1 ZINC000865522247 687245285 /nfs/dbraw/zinc/24/52/85/687245285.db2.gz OSKNCGMPHIWGFH-UHFFFAOYSA-N 0 3 302.426 2.174 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001375585001 1158821009 /nfs/dbraw/zinc/82/10/09/1158821009.db2.gz LJRRTYKUNTYMMZ-CABCVRRESA-N 0 3 313.873 2.144 20 30 DEEDHN C=CCCn1cc(CNCCc2cn(C)c3ncccc23)nn1 ZINC000865812866 687343133 /nfs/dbraw/zinc/34/31/33/687343133.db2.gz XBTJHENZPYDVKW-UHFFFAOYSA-N 0 3 310.405 2.073 20 30 DEEDHN Cc1nc(N[C@H]2CCN(CC(C)(C)O)C2)c(Cl)cc1C#N ZINC000865997241 687403374 /nfs/dbraw/zinc/40/33/74/687403374.db2.gz WGCXKQNMGYCEAI-LBPRGKRZSA-N 0 3 308.813 2.172 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ncoc2-c2cccs2)C1 ZINC001015867259 687446401 /nfs/dbraw/zinc/44/64/01/687446401.db2.gz NKACXLRNIKRWAD-GFCCVEGCSA-N 0 3 315.398 2.231 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001015929802 687468121 /nfs/dbraw/zinc/46/81/21/687468121.db2.gz CAVBKWZZAFFHFE-CQSZACIVSA-N 0 3 306.381 2.143 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](CCc1ccccc1)c1ccccn1 ZINC000866251450 687508697 /nfs/dbraw/zinc/50/86/97/687508697.db2.gz SNPDJJAQCHGKSY-IBGZPJMESA-N 0 3 321.424 2.485 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001016092908 687522477 /nfs/dbraw/zinc/52/24/77/687522477.db2.gz MOGKHCVMEBEKTQ-KRWDZBQOSA-N 0 3 300.402 2.026 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001016180710 687551169 /nfs/dbraw/zinc/55/11/69/687551169.db2.gz JGENVVGCAZKGKP-GFCCVEGCSA-N 0 3 318.808 2.368 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3cc(C)cn3c2)CC1 ZINC001016658271 687676651 /nfs/dbraw/zinc/67/66/51/687676651.db2.gz XIMIPGSFVJFSJZ-GOSISDBHSA-N 0 3 321.424 2.465 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccsc2COC)CC1 ZINC001016688632 687682592 /nfs/dbraw/zinc/68/25/92/687682592.db2.gz UCEBQUMATMHIMK-OAHLLOKOSA-N 0 3 318.442 2.112 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cncc3[nH]ccc32)CC1 ZINC001016709482 687687075 /nfs/dbraw/zinc/68/70/75/687687075.db2.gz MHDHSHZNORLFAY-QGZVFWFLSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2nccc3occc32)CC1 ZINC001016746815 687694339 /nfs/dbraw/zinc/69/43/39/687694339.db2.gz KUEFWCYGLFBMIQ-OAHLLOKOSA-N 0 3 309.369 2.045 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001016820801 687709908 /nfs/dbraw/zinc/70/99/08/687709908.db2.gz UMVCENDZKOOZJE-KBPBESRZSA-N 0 3 310.388 2.416 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C3CC3)no2)CC1 ZINC001016854366 687719892 /nfs/dbraw/zinc/71/98/92/687719892.db2.gz VXBLEJQQCYVVKK-INIZCTEOSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](F)c2ccccc2)CC1 ZINC001016855498 687719946 /nfs/dbraw/zinc/71/99/46/687719946.db2.gz SHCPNEGKIPMCLL-JKSUJKDBSA-N 0 3 300.377 2.301 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ncccc2Cl)CC1 ZINC001016938062 687738314 /nfs/dbraw/zinc/73/83/14/687738314.db2.gz HRRSMQXTZNFDIH-CQSZACIVSA-N 0 3 317.820 2.343 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2occ3c2CCCC3)CC1 ZINC001016946477 687740561 /nfs/dbraw/zinc/74/05/61/687740561.db2.gz NMSQOPIFFGYDKY-INIZCTEOSA-N 0 3 312.413 2.376 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001016989360 687750657 /nfs/dbraw/zinc/75/06/57/687750657.db2.gz SVJNRNMKFKJULM-BHUNQDJPSA-N 0 3 300.446 2.417 20 30 DEEDHN Cc1ncc(CN(C)C[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001017072658 687780602 /nfs/dbraw/zinc/78/06/02/687780602.db2.gz VUOLPVLCPXQXEK-GXTWGEPZSA-N 0 3 320.462 2.282 20 30 DEEDHN Cc1noc(C)c1CN(C)C[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001017072965 687781071 /nfs/dbraw/zinc/78/10/71/687781071.db2.gz XOXPXSLFMJJMFZ-IUODEOHRSA-N 0 3 318.421 2.122 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000867794351 687792323 /nfs/dbraw/zinc/79/23/23/687792323.db2.gz OXVBRANSMZSZJG-HNNXBMFYSA-N 0 3 300.468 2.279 20 30 DEEDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cncc(C#N)c1 ZINC000930372904 694148363 /nfs/dbraw/zinc/14/83/63/694148363.db2.gz SFCUJMAPBRIZPQ-KBXCAEBGSA-N 0 3 323.396 2.463 20 30 DEEDHN CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017453463 687892857 /nfs/dbraw/zinc/89/28/57/687892857.db2.gz BPOKYJXUFGIQJG-YUELXQCFSA-N 0 3 300.406 2.221 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1ccnc1 ZINC001018009009 688027028 /nfs/dbraw/zinc/02/70/28/688027028.db2.gz QRULKZJLUFSZHR-YESZJQIVSA-N 0 3 316.449 2.476 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]12CCOC2 ZINC001018152973 688064412 /nfs/dbraw/zinc/06/44/12/688064412.db2.gz RTBFUILYCMFJLT-DFGXFYAUSA-N 0 3 304.434 2.054 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)C3CCC3)C2)ccc1F ZINC001018391515 688121931 /nfs/dbraw/zinc/12/19/31/688121931.db2.gz RFZHTLOFYFOSIG-HNNXBMFYSA-N 0 3 301.365 2.188 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018619462 688187268 /nfs/dbraw/zinc/18/72/68/688187268.db2.gz XJRHENGNPFUBTH-FZMZJTMJSA-N 0 3 321.808 2.199 20 30 DEEDHN Cc1ccc(CN[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(Cl)c1 ZINC001018633075 688189811 /nfs/dbraw/zinc/18/98/11/688189811.db2.gz SXZNGEGRHFIYIV-OCCSQVGLSA-N 0 3 305.809 2.499 20 30 DEEDHN CN(CCNC(=O)C1(C#N)CCSCC1)Cc1ccccc1 ZINC000930516357 694180114 /nfs/dbraw/zinc/18/01/14/694180114.db2.gz BTMZOTITNYCPHP-UHFFFAOYSA-N 0 3 317.458 2.272 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)ccc1F ZINC001018818144 688238843 /nfs/dbraw/zinc/23/88/43/688238843.db2.gz BBCNLQUUJGNFAU-STQMWFEESA-N 0 3 323.318 2.043 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3cc(F)c[nH]3)C2)s1 ZINC001019160929 688292727 /nfs/dbraw/zinc/29/27/27/688292727.db2.gz XPGMKWCFLZAJMY-NSHDSACASA-N 0 3 318.377 2.091 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001019257190 688311460 /nfs/dbraw/zinc/31/14/60/688311460.db2.gz LZSBUABNKLUNHP-GOEBONIOSA-N 0 3 321.371 2.382 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)[C@H]3CC34CC4)C2)ccc1F ZINC001019430163 688355099 /nfs/dbraw/zinc/35/50/99/688355099.db2.gz BARRSBAENUASDJ-LSDHHAIUSA-N 0 3 313.376 2.188 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)COc2ccccc2C(C)C)C1 ZINC001019744495 688404931 /nfs/dbraw/zinc/40/49/31/688404931.db2.gz XQDZWTUBLGKZHF-HNNXBMFYSA-N 0 3 300.402 2.013 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2coc(C)c2)C1 ZINC001020103940 688463550 /nfs/dbraw/zinc/46/35/50/688463550.db2.gz BMXSTUNTLDINSM-HAQNSBGRSA-N 0 3 313.195 2.347 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001020224833 688487733 /nfs/dbraw/zinc/48/77/33/688487733.db2.gz HYCYIIKQQYQRGG-AAVRWANBSA-N 0 3 300.830 2.181 20 30 DEEDHN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000870143387 688496792 /nfs/dbraw/zinc/49/67/92/688496792.db2.gz UQNBWPSCEYVBFE-IINYFYTJSA-N 0 3 316.332 2.022 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000870144905 688497808 /nfs/dbraw/zinc/49/78/08/688497808.db2.gz IFYMJZFNGMEZAZ-BXUZGUMPSA-N 0 3 318.348 2.268 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(OC)c(C)c2)C1 ZINC001023650157 688518317 /nfs/dbraw/zinc/51/83/17/688518317.db2.gz SQBXWPBSEPGSMS-OAHLLOKOSA-N 0 3 300.402 2.079 20 30 DEEDHN C[C@H](C(=O)C(C#N)c1ccncn1)n1ccc(C(F)(F)F)n1 ZINC000870288835 688532006 /nfs/dbraw/zinc/53/20/06/688532006.db2.gz ZBBVJPDXVWMMBI-BDAKNGLRSA-N 0 3 309.251 2.129 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028156874 688533916 /nfs/dbraw/zinc/53/39/16/688533916.db2.gz UVUKBUZJNQCMGQ-LBPRGKRZSA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001028541357 688540972 /nfs/dbraw/zinc/54/09/72/688540972.db2.gz WIRVREDHMVEUHL-NXHRZFHOSA-N 0 3 310.441 2.498 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001029006843 688548782 /nfs/dbraw/zinc/54/87/82/688548782.db2.gz WUNUUARZCXGUJL-LRVUVFPRSA-N 0 3 314.351 2.180 20 30 DEEDHN CCOC(=O)C[C@@H](CC#N)OC(=O)c1cccc(CN(C)C)c1 ZINC000870617770 688607633 /nfs/dbraw/zinc/60/76/33/688607633.db2.gz PAZHGVOEGIWYFW-OAHLLOKOSA-N 0 3 318.373 2.140 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc3c(s1)CCNC3)C2 ZINC000871012412 688710171 /nfs/dbraw/zinc/71/01/71/688710171.db2.gz SLAQHKPVVUYSSA-OAHLLOKOSA-N 0 3 323.421 2.163 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)Nc1nc3ccc(C#N)cc3[nH]1)C2 ZINC000871072691 688724289 /nfs/dbraw/zinc/72/42/89/688724289.db2.gz OGQXKXXKHUVFLS-LBPRGKRZSA-N 0 3 320.356 2.141 20 30 DEEDHN Cc1ccc(CN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c(C)c1 ZINC001031619211 688964707 /nfs/dbraw/zinc/96/47/07/688964707.db2.gz NVVOUILAWSZIFQ-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001031794885 688999334 /nfs/dbraw/zinc/99/93/34/688999334.db2.gz NKXGIVAZAQDKSX-UHFFFAOYSA-N 0 3 308.784 2.472 20 30 DEEDHN Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCCC2)c(C#N)c1 ZINC000872496486 689016485 /nfs/dbraw/zinc/01/64/85/689016485.db2.gz XDSILDYJUJXXDN-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2c(F)ccc(OC)c2F)C1 ZINC001032138992 689069727 /nfs/dbraw/zinc/06/97/27/689069727.db2.gz QNLDMSOROHXXCA-UHFFFAOYSA-N 0 3 310.344 2.211 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001032142608 689070481 /nfs/dbraw/zinc/07/04/81/689070481.db2.gz QIQMTTOTTQLOBW-UHFFFAOYSA-N 0 3 300.402 2.159 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000872960516 689129422 /nfs/dbraw/zinc/12/94/22/689129422.db2.gz IDISZXSIAHDEEH-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCC2)c1 ZINC001032401712 689141393 /nfs/dbraw/zinc/14/13/93/689141393.db2.gz YKBLIMLNEWQOKX-IRXDYDNUSA-N 0 3 314.433 2.473 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)c(Cl)cn1 ZINC001032473575 689159680 /nfs/dbraw/zinc/15/96/80/689159680.db2.gz VEPJAKMYRRSMDN-GJZGRUSLSA-N 0 3 319.836 2.447 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)cn1 ZINC001032540609 689179754 /nfs/dbraw/zinc/17/97/54/689179754.db2.gz JBKYOXCDVSXFSQ-GJZGRUSLSA-N 0 3 302.422 2.329 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCCO1 ZINC001032561800 689186408 /nfs/dbraw/zinc/18/64/08/689186408.db2.gz BUDMSJBTKCARGN-JYJNAYRXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCCOC2)CC1 ZINC001032605863 689199357 /nfs/dbraw/zinc/19/93/57/689199357.db2.gz IUPXIGCNNIXFNJ-SZMVWBNQSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCOC1 ZINC001032706625 689230717 /nfs/dbraw/zinc/23/07/17/689230717.db2.gz RUMJOBASTXVBLM-ULQDDVLXSA-N 0 3 306.450 2.445 20 30 DEEDHN C[C@H](CNC(=O)C1(C#N)CCSCC1)N1CCC(C)CC1 ZINC000930911395 694269321 /nfs/dbraw/zinc/26/93/21/694269321.db2.gz NBZALKCCYXXNRX-CQSZACIVSA-N 0 3 309.479 2.260 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032754038 689247746 /nfs/dbraw/zinc/24/77/46/689247746.db2.gz UTHGHIXGSDEFMY-OALUTQOASA-N 0 3 308.425 2.296 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032798433 689263734 /nfs/dbraw/zinc/26/37/34/689263734.db2.gz BTXWCWWALBIPPT-ROUUACIJSA-N 0 3 313.445 2.223 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)no2)C1 ZINC001033167826 689410591 /nfs/dbraw/zinc/41/05/91/689410591.db2.gz BRTQIEMPTYVENY-JTQLQIEISA-N 0 3 317.311 2.416 20 30 DEEDHN N#CC[C@@H](O)CN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000930966221 694284590 /nfs/dbraw/zinc/28/45/90/694284590.db2.gz SYRIAHFGOKPZTG-HZPDHXFCSA-N 0 3 308.809 2.296 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(C)nc2C2CCC2)C1 ZINC001033201661 689423781 /nfs/dbraw/zinc/42/37/81/689423781.db2.gz BPSFRWUDUCCMOU-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001033228985 689432009 /nfs/dbraw/zinc/43/20/09/689432009.db2.gz SRUQQTGIXCRYSC-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc3ccc(C)cn23)C1 ZINC001033259536 689441654 /nfs/dbraw/zinc/44/16/54/689441654.db2.gz LBXWZDUKLXMMKZ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001033259462 689441852 /nfs/dbraw/zinc/44/18/52/689441852.db2.gz MKUFESKLKVJUTE-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001033293244 689451383 /nfs/dbraw/zinc/45/13/83/689451383.db2.gz ZTMBAOWYPPJCON-AWEZNQCLSA-N 0 3 314.389 2.392 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001033320786 689461924 /nfs/dbraw/zinc/46/19/24/689461924.db2.gz 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ZINC001033690060 689585296 /nfs/dbraw/zinc/58/52/96/689585296.db2.gz DWXCKDPBBCUOHA-OAHLLOKOSA-N 0 3 312.417 2.214 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033699532 689588874 /nfs/dbraw/zinc/58/88/74/689588874.db2.gz NWQROZMKQYIXCH-PXNSSMCTSA-N 0 3 310.441 2.447 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cn3c(n2)CCCC3)C1 ZINC001033852117 689638501 /nfs/dbraw/zinc/63/85/01/689638501.db2.gz JSNMCSGGOARJQQ-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001033862197 689642080 /nfs/dbraw/zinc/64/20/80/689642080.db2.gz YPJROUOGFSMHJY-GFCCVEGCSA-N 0 3 322.840 2.185 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001033866128 689643076 /nfs/dbraw/zinc/64/30/76/689643076.db2.gz PYJFRHRYKDHNDR-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccn3ccnc3c2)C1 ZINC001033895736 689654675 /nfs/dbraw/zinc/65/46/75/689654675.db2.gz CGUNYHSEHAFTTH-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001033902705 689657086 /nfs/dbraw/zinc/65/70/86/689657086.db2.gz OOEUKHBGLVVXRX-HNNXBMFYSA-N 0 3 303.406 2.072 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033939300 689667924 /nfs/dbraw/zinc/66/79/24/689667924.db2.gz GYVREVAQWLPXGK-FUHWJXTLSA-N 0 3 314.404 2.412 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001033969605 689677530 /nfs/dbraw/zinc/67/75/30/689677530.db2.gz PIPMTDSRFZSHBM-AWEZNQCLSA-N 0 3 303.406 2.208 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c3ccccc3nn2C)C1 ZINC001034006679 689690401 /nfs/dbraw/zinc/69/04/01/689690401.db2.gz BITPPNFDMHBLTO-OAHLLOKOSA-N 0 3 324.428 2.133 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001034220418 689768244 /nfs/dbraw/zinc/76/82/44/689768244.db2.gz ZWVFFUSWARCPKG-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001034307010 689803236 /nfs/dbraw/zinc/80/32/36/689803236.db2.gz JRQXKTLDCJUKNX-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCCCN(CC=C)C2)cc1 ZINC001034431643 689847532 /nfs/dbraw/zinc/84/75/32/689847532.db2.gz LCZXODIFEPQHOS-KRWDZBQOSA-N 0 3 312.413 2.469 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000876555488 689854516 /nfs/dbraw/zinc/85/45/16/689854516.db2.gz ADJPSHJTPDPLNF-CYBMUJFWSA-N 0 3 323.824 2.170 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000876583426 689865458 /nfs/dbraw/zinc/86/54/58/689865458.db2.gz LJKXBECTLQWJES-LLVKDONJSA-N 0 3 311.769 2.062 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000876611018 689876164 /nfs/dbraw/zinc/87/61/64/689876164.db2.gz OKVZECXQSBYUEX-SKDRFNHKSA-N 0 3 318.751 2.318 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccnc2OCC)C1 ZINC001034510636 689879788 /nfs/dbraw/zinc/87/97/88/689879788.db2.gz FYCRZWVVYPPEPA-OAHLLOKOSA-N 0 3 315.417 2.088 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000876636906 689884620 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C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC000876941654 689977970 /nfs/dbraw/zinc/97/79/70/689977970.db2.gz JFXBTERQCMNBAH-STQMWFEESA-N 0 3 316.829 2.038 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000876878346 689962056 /nfs/dbraw/zinc/96/20/56/689962056.db2.gz AALLUWQCJAQPIW-GJZGRUSLSA-N 0 3 324.808 2.065 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000876994497 689993107 /nfs/dbraw/zinc/99/31/07/689993107.db2.gz JXADZFHAPYTOSZ-LBPRGKRZSA-N 0 3 322.840 2.129 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000877095759 690017479 /nfs/dbraw/zinc/01/74/79/690017479.db2.gz TTXPAQGHRYRPNL-CQSZACIVSA-N 0 3 321.808 2.424 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)CC1 ZINC001035040045 690018394 /nfs/dbraw/zinc/01/83/94/690018394.db2.gz UJKVUXDUAHUZEW-QGZVFWFLSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C(Cl)C[C@@H](NC(=O)c1cccc2c1CNC2)C(=O)OCC ZINC000877144733 690029051 /nfs/dbraw/zinc/02/90/51/690029051.db2.gz 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CCc1nc([C@@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cs1 ZINC000884219989 691685661 /nfs/dbraw/zinc/68/56/61/691685661.db2.gz CUAJLPKAQBKRKR-ZWRZFFQRSA-N 0 3 318.446 2.022 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccccc2C#N)CCN1C(=O)c1ccon1 ZINC001044483988 691839868 /nfs/dbraw/zinc/83/98/68/691839868.db2.gz SRODVDSPKWQVQL-XJKSGUPXSA-N 0 3 324.384 2.329 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccccc2C#N)CCN1C(=O)c1cocn1 ZINC001044504486 691842791 /nfs/dbraw/zinc/84/27/91/691842791.db2.gz IFPURSHJFAVCBO-XJKSGUPXSA-N 0 3 324.384 2.329 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCC[C@H]1CNCc1cccnc1 ZINC001045070321 691935406 /nfs/dbraw/zinc/93/54/06/691935406.db2.gz CUBXTRGXADTSFD-KRWDZBQOSA-N 0 3 324.428 2.464 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC001045494982 691988630 /nfs/dbraw/zinc/98/86/30/691988630.db2.gz KVAROYJLJLLKHA-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2COc3ccccc32)CC1 ZINC001045651446 692010765 /nfs/dbraw/zinc/01/07/65/692010765.db2.gz HAYIBCVLADUKDZ-INIZCTEOSA-N 0 3 312.413 2.157 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001045735304 692021381 /nfs/dbraw/zinc/02/13/81/692021381.db2.gz MOOKKDCWRNZBKH-CFVMTHIKSA-N 0 3 303.431 2.473 20 30 DEEDHN C#CCN1CCC[C@H](NCc2cc(OCC)c(OC)cc2F)C1 ZINC000886209058 692023842 /nfs/dbraw/zinc/02/38/42/692023842.db2.gz CYBMYUDYQHQBMD-HNNXBMFYSA-N 0 3 320.408 2.420 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#CC ZINC001045863047 692038190 /nfs/dbraw/zinc/03/81/90/692038190.db2.gz JQIKVWOMXNGSAI-OWSLCNJRSA-N 0 3 316.445 2.056 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886267151 692039614 /nfs/dbraw/zinc/03/96/14/692039614.db2.gz HBTGJSIHSXHKBF-OKZBNKHCSA-N 0 3 300.402 2.481 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)OC)C2 ZINC001045917132 692049034 /nfs/dbraw/zinc/04/90/34/692049034.db2.gz PTOSZKKSKRLCHF-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCOC1)C2 ZINC001045921568 692051939 /nfs/dbraw/zinc/05/19/39/692051939.db2.gz OGXXAWFKCVGASW-MJGOQNOKSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cncc(C)c1)C2 ZINC001045924189 692052523 /nfs/dbraw/zinc/05/25/23/692052523.db2.gz GYJDXPXFVKAWLR-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCO1)C2 ZINC001045931124 692054746 /nfs/dbraw/zinc/05/47/46/692054746.db2.gz GJOQUZGCZFDAJW-MJGOQNOKSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cncc(F)c1)C2 ZINC001045931368 692055055 /nfs/dbraw/zinc/05/50/55/692055055.db2.gz TVRQYVNMNQJLMZ-SFHVURJKSA-N 0 3 315.392 2.172 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1CC(OC)C1)C2 ZINC001045946319 692060182 /nfs/dbraw/zinc/06/01/82/692060182.db2.gz OHLVDXPDMKCEMB-FAFZWHIHSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CC[C@H]1CCN([C@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000886355443 692063851 /nfs/dbraw/zinc/06/38/51/692063851.db2.gz IUFVTLPMRSKYRZ-SJORKVTESA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)C3(F)CCCCC3)CC2)C1 ZINC001046076880 692081056 /nfs/dbraw/zinc/08/10/56/692081056.db2.gz ICRFPGNTVLYXQH-MRXNPFEDSA-N 0 3 323.456 2.063 20 30 DEEDHN C#CCN(C(=O)c1nsc2ccccc21)C1CCN(C)CC1 ZINC000886572315 692112873 /nfs/dbraw/zinc/11/28/73/692112873.db2.gz HTVGQDMPVJJQKD-UHFFFAOYSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN(C(=O)c1cn(-c2ccccc2)cn1)C1CCN(C)CC1 ZINC000886574757 692114282 /nfs/dbraw/zinc/11/42/82/692114282.db2.gz SCPDQWFPYXFZLA-UHFFFAOYSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C(=O)c1ccc2c(c1)CCCC2=O)C1CCN(C)CC1 ZINC000886576036 692115026 /nfs/dbraw/zinc/11/50/26/692115026.db2.gz UXZMOZTWYMYPMM-UHFFFAOYSA-N 0 3 324.424 2.375 20 30 DEEDHN C#CCN(C(=O)c1ccc2nc(C)n(C)c2c1)C1CCN(C)CC1 ZINC000886577357 692115298 /nfs/dbraw/zinc/11/52/98/692115298.db2.gz FVCSHPNXJWTPIB-UHFFFAOYSA-N 0 3 324.428 2.051 20 30 DEEDHN C#CCN(C(=O)[C@H](C)OCc1ccccc1)C1CCN(C)CC1 ZINC000886579005 692115569 /nfs/dbraw/zinc/11/55/69/692115569.db2.gz UFTITDDGPJRZKD-INIZCTEOSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CCN(C)CC1 ZINC000886578888 692115782 /nfs/dbraw/zinc/11/57/82/692115782.db2.gz PTRCCCLKENPTJV-UHFFFAOYSA-N 0 3 321.424 2.411 20 30 DEEDHN C#CCN(C(=O)[C@H](CC)OC1CCCC1)C1CCN(C)CC1 ZINC000886581161 692117418 /nfs/dbraw/zinc/11/74/18/692117418.db2.gz LKESSYCUHWYSRP-KRWDZBQOSA-N 0 3 306.450 2.280 20 30 DEEDHN C#CCN(C(=O)CCc1cccc(F)c1F)C1CCN(C)CC1 ZINC000886581988 692117715 /nfs/dbraw/zinc/11/77/15/692117715.db2.gz AQQYLKOIMJEFBN-UHFFFAOYSA-N 0 3 320.383 2.453 20 30 DEEDHN C#CCN(C(=O)c1cccc(OCC)c1)C1CCN(C)CC1 ZINC000886583182 692118747 /nfs/dbraw/zinc/11/87/47/692118747.db2.gz FKAMKCUVVWDDEW-UHFFFAOYSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCN(C(=O)CCc1ccccc1OC)C1CCN(C)CC1 ZINC000886587238 692119676 /nfs/dbraw/zinc/11/96/76/692119676.db2.gz NPMPVWACBZMVDO-UHFFFAOYSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001046369874 692167923 /nfs/dbraw/zinc/16/79/23/692167923.db2.gz AMPXEUJBXLOPCK-LJQANCHMSA-N 0 3 309.413 2.465 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001046387749 692173822 /nfs/dbraw/zinc/17/38/22/692173822.db2.gz PUZOEUHTDDUIEZ-HNNXBMFYSA-N 0 3 310.829 2.396 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001046392799 692174689 /nfs/dbraw/zinc/17/46/89/692174689.db2.gz AAHLNUVXFSAFHV-GOSISDBHSA-N 0 3 311.385 2.354 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001046434902 692186700 /nfs/dbraw/zinc/18/67/00/692186700.db2.gz UFEZMDFNCRPCQI-GOSISDBHSA-N 0 3 312.417 2.344 20 30 DEEDHN COC[C@@H](NCc1ccc(C#N)cc1OC)[C@@H]1CCCOC1 ZINC000886913920 692229297 /nfs/dbraw/zinc/22/92/97/692229297.db2.gz MNWIUTMQOPJSFQ-HZPDHXFCSA-N 0 3 304.390 2.098 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001046583409 692229650 /nfs/dbraw/zinc/22/96/50/692229650.db2.gz PQUBPQAHZJFHFB-MRXNPFEDSA-N 0 3 310.319 2.321 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc3c2OCC3)C1 ZINC001046644752 692245555 /nfs/dbraw/zinc/24/55/55/692245555.db2.gz PAVKHNMJWZDXAF-SFHVURJKSA-N 0 3 300.402 2.392 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001046675095 692256826 /nfs/dbraw/zinc/25/68/26/692256826.db2.gz IQLMFZPPVVTIKL-GOSISDBHSA-N 0 3 311.385 2.321 20 30 DEEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2scnc2COC)C1 ZINC001046677481 692258373 /nfs/dbraw/zinc/25/83/73/692258373.db2.gz AZNDGPQSCAXOQB-INIZCTEOSA-N 0 3 323.462 2.450 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001046686452 692261380 /nfs/dbraw/zinc/26/13/80/692261380.db2.gz MRMRESZPHBONJZ-KXBFYZLASA-N 0 3 314.429 2.492 20 30 DEEDHN C#CCC1(NCc2cc([N+](=O)[O-])ccc2OC)CCOCC1 ZINC000887120318 692281727 /nfs/dbraw/zinc/28/17/27/692281727.db2.gz BTKHFUYSRSPOBK-UHFFFAOYSA-N 0 3 304.346 2.266 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001046755564 692287385 /nfs/dbraw/zinc/28/73/85/692287385.db2.gz XLFIEXNVMLBCOM-LJQANCHMSA-N 0 3 309.413 2.396 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001046753876 692287686 /nfs/dbraw/zinc/28/76/86/692287686.db2.gz KLNUTDVJCJKOIQ-LJQANCHMSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cn(CCCC)nc2C)C1 ZINC001046760328 692289301 /nfs/dbraw/zinc/28/93/01/692289301.db2.gz FMFPPBXHAZPUEO-SFHVURJKSA-N 0 3 316.449 2.209 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cnn(CCCC)c2C)C1 ZINC001046760886 692289423 /nfs/dbraw/zinc/28/94/23/692289423.db2.gz NZFOUEDDWFOXEQ-GOSISDBHSA-N 0 3 316.449 2.209 20 30 DEEDHN C=C(C)CCN1CC[C@@](C)(NC(=O)c2cnc(COC)s2)C1 ZINC001046873582 692322870 /nfs/dbraw/zinc/32/28/70/692322870.db2.gz HHYKGWMOCANBLS-MRXNPFEDSA-N 0 3 323.462 2.450 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC001046911082 692329426 /nfs/dbraw/zinc/32/94/26/692329426.db2.gz VZFHWFXBIBDYMN-LBPRGKRZSA-N 0 3 313.348 2.246 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2ccsn2)C1 ZINC001046949280 692341161 /nfs/dbraw/zinc/34/11/61/692341161.db2.gz DMPINFGQUOARAX-NSHDSACASA-N 0 3 315.389 2.406 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)c3nocc3C)C2)CC1 ZINC001047262386 692404344 /nfs/dbraw/zinc/40/43/44/692404344.db2.gz OUAAIVPUCLBJQX-INIZCTEOSA-N 0 3 315.417 2.180 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001047513787 692432362 /nfs/dbraw/zinc/43/23/62/692432362.db2.gz OTTLQUSENYTYFK-HOTGVXAUSA-N 0 3 322.836 2.342 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001047642035 692448434 /nfs/dbraw/zinc/44/84/34/692448434.db2.gz NBNHSYZPROXDHD-ROUUACIJSA-N 0 3 314.429 2.257 20 30 DEEDHN Cc1nc(CN[C@@H](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)cs1 ZINC001047836662 692497179 /nfs/dbraw/zinc/49/71/79/692497179.db2.gz QDLPDZUWRDBVMS-SWLSCSKDSA-N 0 3 317.458 2.192 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2nccn2C)C1 ZINC001047929087 692515765 /nfs/dbraw/zinc/51/57/65/692515765.db2.gz PGFZYYAFRPCXRN-GJZGRUSLSA-N 0 3 318.465 2.349 20 30 DEEDHN C[C@@H]1CN(C(=O)C(F)F)C[C@@H]1CNCc1ccccc1C#N ZINC001048082006 692544561 /nfs/dbraw/zinc/54/45/61/692544561.db2.gz AEXNFSOSECSJNA-RISCZKNCSA-N 0 3 307.344 2.007 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2c(Cl)c(C)nn2C)CC1 ZINC000888659413 692566459 /nfs/dbraw/zinc/56/64/59/692566459.db2.gz ZJCMKQYXXOSRPX-UHFFFAOYSA-N 0 3 311.817 2.154 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001048338831 692601224 /nfs/dbraw/zinc/60/12/24/692601224.db2.gz NCHNFDFTCGPPGC-CABCVRRESA-N 0 3 318.465 2.207 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H](C)[C@@H](CNCc3cnns3)C2)C1 ZINC001048375421 692606875 /nfs/dbraw/zinc/60/68/75/692606875.db2.gz XYIQZSKTVVFAFM-STQMWFEESA-N 0 3 320.462 2.079 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001048867971 692713026 /nfs/dbraw/zinc/71/30/26/692713026.db2.gz QUTHQJULSSLDPE-HDICACEKSA-N 0 3 308.425 2.033 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C(F)(F)F)CCC3)C[C@@H]2C1 ZINC001048895320 692718528 /nfs/dbraw/zinc/71/85/28/692718528.db2.gz MSJFDIUCCCSASO-BETUJISGSA-N 0 3 314.351 2.133 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)C(C)C)C[C@@H]2C1 ZINC001049087225 692759747 /nfs/dbraw/zinc/75/97/47/692759747.db2.gz YGLQVXPCURMMOS-OTWHNJEPSA-N 0 3 310.441 2.450 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)Cc3cccs3)C[C@@H]2C1 ZINC001049090714 692760170 /nfs/dbraw/zinc/76/01/70/692760170.db2.gz OCXHPGMCOVUXPB-HRCADAONSA-N 0 3 316.470 2.340 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)c(OCC)c3)C[C@@H]2C1 ZINC001049099722 692764493 /nfs/dbraw/zinc/76/44/93/692764493.db2.gz RNKMWTKCFLSPDN-CALCHBBNSA-N 0 3 312.413 2.031 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@H]2C1 ZINC001049111253 692767422 /nfs/dbraw/zinc/76/74/22/692767422.db2.gz MGAUQIBLRVHDIX-WPIADWPOSA-N 0 3 324.852 2.110 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)CCC=C4)C[C@@H]2C1 ZINC001049175171 692780527 /nfs/dbraw/zinc/78/05/27/692780527.db2.gz NSSAJXBRYBPVIM-KDURUIRLSA-N 0 3 306.409 2.283 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)c3ccc(C)cc3)C[C@@H]2C1 ZINC001049177480 692781076 /nfs/dbraw/zinc/78/10/76/692781076.db2.gz CFZDQCBBDBJWHF-CALCHBBNSA-N 0 3 310.441 2.296 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001049206867 692789901 /nfs/dbraw/zinc/78/99/01/692789901.db2.gz KSBLXLWHJHWKJG-CALCHBBNSA-N 0 3 310.441 2.378 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)Cc3cccc(F)c3)C[C@@H]2C1 ZINC001049246877 692799213 /nfs/dbraw/zinc/79/92/13/692799213.db2.gz TYTNWXNRGCKJQY-BHYGNILZSA-N 0 3 314.404 2.028 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cccs1 ZINC001049287827 692822371 /nfs/dbraw/zinc/82/23/71/692822371.db2.gz DHGBLPZZFMRUBT-CVEARBPZSA-N 0 3 302.443 2.379 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccc(F)c(F)c2)CC1 ZINC000932140771 694558806 /nfs/dbraw/zinc/55/88/06/694558806.db2.gz ILQYUBDSSIVUNL-UHFFFAOYSA-N 0 3 310.344 2.110 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001049472706 692893691 /nfs/dbraw/zinc/89/36/91/692893691.db2.gz GHVYATYIMOHLOG-BZUAXINKSA-N 0 3 314.433 2.081 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(Cl)cnn1CC ZINC001049499206 692902727 /nfs/dbraw/zinc/90/27/27/692902727.db2.gz 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ZINC001052602684 693576799 /nfs/dbraw/zinc/57/67/99/693576799.db2.gz KUIMANAXWBSMKO-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCCc3cccnc32)CC1 ZINC001052650140 693588712 /nfs/dbraw/zinc/58/87/12/693588712.db2.gz YHQHBOZYWBJCPE-IRXDYDNUSA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2c(F)ccc(F)c2F)CC1 ZINC001052666275 693592541 /nfs/dbraw/zinc/59/25/41/693592541.db2.gz QNTGRDCTERWXFE-LLVKDONJSA-N 0 3 310.319 2.321 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCN(C[C@@H](F)CC)CC2)c1 ZINC001052695643 693597573 /nfs/dbraw/zinc/59/75/73/693597573.db2.gz KVBFMLQZTKQSSI-DLBZAZTESA-N 0 3 317.408 2.395 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2nccc3[nH]ccc32)CC1 ZINC001052725577 693603923 /nfs/dbraw/zinc/60/39/23/693603923.db2.gz SXYSXEQJLVTOGK-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2c(F)cc(OC)cc2F)CC1 ZINC001052730566 693605380 /nfs/dbraw/zinc/60/53/80/693605380.db2.gz AMXXVWPCSWRWEB-LBPRGKRZSA-N 0 3 322.355 2.191 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cn(CC)nc2C(C)C)CC1 ZINC001052754714 693611490 /nfs/dbraw/zinc/61/14/90/693611490.db2.gz PTVOXWNXBOOLEK-OAHLLOKOSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cnc(C)nc2C(C)C)CC1 ZINC001052765525 693615867 /nfs/dbraw/zinc/61/58/67/693615867.db2.gz GWCJUHJMYZSVJG-OAHLLOKOSA-N 0 3 314.433 2.126 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc3cccnc3c2)CC1 ZINC001052801597 693621730 /nfs/dbraw/zinc/62/17/30/693621730.db2.gz VKYQHIVWSDTASL-KRWDZBQOSA-N 0 3 307.397 2.452 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2oc(CC)nc2C)CC1 ZINC001052845787 693632674 /nfs/dbraw/zinc/63/26/74/693632674.db2.gz HGHRMHHSKIJMIN-CQSZACIVSA-N 0 3 303.406 2.153 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ncoc2C(C)(C)C)CC1 ZINC001052850875 693633598 /nfs/dbraw/zinc/63/35/98/693633598.db2.gz UTDWAAXUOSDRPF-ZDUSSCGKSA-N 0 3 303.406 2.190 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cn(CCCC)nc2C)CC1 ZINC001052855062 693633851 /nfs/dbraw/zinc/63/38/51/693633851.db2.gz JSAPZCIUDIPCLS-MRXNPFEDSA-N 0 3 316.449 2.209 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927632115 693640578 /nfs/dbraw/zinc/64/05/78/693640578.db2.gz COEWXELVGXJCLK-OAHLLOKOSA-N 0 3 309.454 2.284 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3[nH]ccc3s2)CC1 ZINC001052898245 693644392 /nfs/dbraw/zinc/64/43/92/693644392.db2.gz VTWFYQZTVQFQGN-LBPRGKRZSA-N 0 3 301.415 2.447 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3ccccc3oc2=O)CC1 ZINC001052907123 693646348 /nfs/dbraw/zinc/64/63/48/693646348.db2.gz LUAPRTORERXNFL-HNNXBMFYSA-N 0 3 324.380 2.011 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2n[nH]c3ccccc32)CC1 ZINC001052954435 693655362 /nfs/dbraw/zinc/65/53/62/693655362.db2.gz NTHPYNHNNDDXRY-HNNXBMFYSA-N 0 3 324.428 2.099 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2COc3ccccc32)CC1 ZINC001052973672 693659541 /nfs/dbraw/zinc/65/95/41/693659541.db2.gz CMQDEUXJOXDISW-NVXWUHKLSA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C2=CCOCC2)C1 ZINC001053081114 693685669 /nfs/dbraw/zinc/68/56/69/693685669.db2.gz UGYBSIDLQRLQCK-ZWKOTPCHSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2nccs2)C1 ZINC001053105006 693690176 /nfs/dbraw/zinc/69/01/76/693690176.db2.gz RCTJEXMAQRJKLD-HUUCEWRRSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2nocc2C)C1 ZINC001053105972 693690688 /nfs/dbraw/zinc/69/06/88/693690688.db2.gz WLIRJPWDDSRSSW-JKSUJKDBSA-N 0 3 315.417 2.323 20 30 DEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2COC[C@H]2C)c1C ZINC000932502744 694627444 /nfs/dbraw/zinc/62/74/44/694627444.db2.gz WSFNSBZTVZSWGD-ZBFHGGJFSA-N 0 3 315.417 2.175 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](C)OCC(C)C)CC1 ZINC001332939962 1149929410 /nfs/dbraw/zinc/92/94/10/1149929410.db2.gz HTBBRSSZDMYOSB-CVEARBPZSA-N 0 3 308.466 2.288 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(C(=O)CN(CC)CC)CC1(C)C ZINC001335266043 1150391728 /nfs/dbraw/zinc/39/17/28/1150391728.db2.gz ZUVWNGPKXZMOPL-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC001343322921 1150734379 /nfs/dbraw/zinc/73/43/79/1150734379.db2.gz OGLRXCIOFINKJU-ZETCQYMHSA-N 0 3 308.329 2.265 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001344133412 1150798229 /nfs/dbraw/zinc/79/82/29/1150798229.db2.gz FIPLOGBVKWVPFN-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1 ZINC001347786803 1151097432 /nfs/dbraw/zinc/09/74/32/1151097432.db2.gz QSKVCLOSEJMEHQ-ROUUACIJSA-N 0 3 314.429 2.326 20 30 DEEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)cc2CO)C[C@@H](C)O1 ZINC001351987919 1151644512 /nfs/dbraw/zinc/64/45/12/1151644512.db2.gz SXBTWCTWAXZTBK-HUUCEWRRSA-N 0 3 317.433 2.352 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001480435457 1151804131 /nfs/dbraw/zinc/80/41/31/1151804131.db2.gz SSHRJXKZVVRZNW-WBMJQRKESA-N 0 3 321.396 2.107 20 30 DEEDHN CS[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480446056 1151810102 /nfs/dbraw/zinc/81/01/02/1151810102.db2.gz IGTDQBJBZGHYAD-WDEREUQCSA-N 0 3 311.476 2.356 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC001353236535 1151818707 /nfs/dbraw/zinc/81/87/07/1151818707.db2.gz FCNPITODUQZFOJ-HNNXBMFYSA-N 0 3 316.405 2.305 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC001353383545 1151827564 /nfs/dbraw/zinc/82/75/64/1151827564.db2.gz YDKGPDXIBVSZLM-OAHLLOKOSA-N 0 3 318.421 2.080 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1CC1CCC1 ZINC001402721100 1162450234 /nfs/dbraw/zinc/45/02/34/1162450234.db2.gz KPILRFZOPMEZJA-KDOFPFPSSA-N 0 3 311.429 2.489 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2CCN(C)[C@@H](C(C)C)C2)n1C ZINC001355390520 1152008170 /nfs/dbraw/zinc/00/81/70/1152008170.db2.gz FISXPYBVNUDQPR-CQSZACIVSA-N 0 3 305.470 2.346 20 30 DEEDHN C=CCCCN(CC)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC001355587568 1152023916 /nfs/dbraw/zinc/02/39/16/1152023916.db2.gz RHKXUOWEAYHNDR-KRWDZBQOSA-N 0 3 303.450 2.260 20 30 DEEDHN Cc1ccncc1CN1CC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001402797199 1162474866 /nfs/dbraw/zinc/47/48/66/1162474866.db2.gz JXRDSIOMVSPLPU-GOEBONIOSA-N 0 3 314.433 2.266 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001379352108 1152613804 /nfs/dbraw/zinc/61/38/04/1152613804.db2.gz LIQBLRFNBOEYKT-DOMZBBRYSA-N 0 3 315.417 2.207 20 30 DEEDHN CO[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1)C(C)C ZINC001379740347 1152685988 /nfs/dbraw/zinc/68/59/88/1152685988.db2.gz JGNGBINSONUHLF-WMLDXEAASA-N 0 3 317.433 2.166 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001380143640 1152756365 /nfs/dbraw/zinc/75/63/65/1152756365.db2.gz QTJBIIAZUWLFQC-DZGCQCFKSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N[C@H](C)c1ccccc1F ZINC001402870725 1162507530 /nfs/dbraw/zinc/50/75/30/1162507530.db2.gz MVEUPXIHVCVXIL-VXGBXAGGSA-N 0 3 314.364 2.495 20 30 DEEDHN C[C@@H](N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1)c1ccccc1F ZINC001402870723 1162507811 /nfs/dbraw/zinc/50/78/11/1162507811.db2.gz MVEUPXIHVCVXIL-NWDGAFQWSA-N 0 3 314.364 2.495 20 30 DEEDHN CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C#N)N(C)C)cc1 ZINC001362489345 1152933133 /nfs/dbraw/zinc/93/31/33/1152933133.db2.gz UNWOCRSRODERDN-YUELXQCFSA-N 0 3 303.431 2.287 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001381321150 1153004585 /nfs/dbraw/zinc/00/45/85/1153004585.db2.gz LVDYHKLOGUEORI-UHFFFAOYSA-N 0 3 322.840 2.148 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)c2ccccc2OCC#N)C1 ZINC001362625979 1153015100 /nfs/dbraw/zinc/01/51/00/1153015100.db2.gz IJUHQKHQYLLKTF-AWEZNQCLSA-N 0 3 301.390 2.192 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)CCOc1ccccc1 ZINC001402904159 1162527785 /nfs/dbraw/zinc/52/77/85/1162527785.db2.gz MFRXISLHTXDTPQ-HOTGVXAUSA-N 0 3 315.417 2.148 20 30 DEEDHN C[C@H](CNC(=O)c1ccncc1)N(C)Cc1cccc(C#N)c1 ZINC001381486045 1153084400 /nfs/dbraw/zinc/08/44/00/1153084400.db2.gz BQDVTEIQJKPAEC-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001381762972 1153212910 /nfs/dbraw/zinc/21/29/10/1153212910.db2.gz HWLYAAGMHGHINF-GJZGRUSLSA-N 0 3 315.889 2.440 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)CCCF)[C@@H]3C2)c1 ZINC001381907937 1153270976 /nfs/dbraw/zinc/27/09/76/1153270976.db2.gz BTBMVOHBFIAHFP-OSYLJGHBSA-N 0 3 315.392 2.102 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001382113718 1153361797 /nfs/dbraw/zinc/36/17/97/1153361797.db2.gz BLHUHAISLQLGRZ-SMDDNHRTSA-N 0 3 309.360 2.382 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001403059310 1162679244 /nfs/dbraw/zinc/67/92/44/1162679244.db2.gz UDWVNUJAGDDOMT-UHFFFAOYSA-N 0 3 308.813 2.327 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001403125159 1162758758 /nfs/dbraw/zinc/75/87/58/1162758758.db2.gz IWSWKWFIOCJWDO-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1cnc([C@@H](C)NC2(CNC(=O)[C@H](C)C#N)CCCC2)cn1 ZINC001391993831 1156845779 /nfs/dbraw/zinc/84/57/79/1156845779.db2.gz FNDMTJISKMAPLP-TZMCWYRMSA-N 0 3 315.421 2.024 20 30 DEEDHN CCC(=O)NCC[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001373131500 1156868561 /nfs/dbraw/zinc/86/85/61/1156868561.db2.gz IQRMKACBNOXGBE-ZDUSSCGKSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC001392295923 1156999067 /nfs/dbraw/zinc/99/90/67/1156999067.db2.gz YJDUKHMKPNNPHG-IAQYHMDHSA-N 0 3 324.856 2.218 20 30 DEEDHN C[C@@H](CNCc1ccccc1Cl)NC(=O)c1c[nH]c(C#N)c1 ZINC001392557260 1157131485 /nfs/dbraw/zinc/13/14/85/1157131485.db2.gz QLDYSNNBNIIGTO-NSHDSACASA-N 0 3 316.792 2.448 20 30 DEEDHN CC(C)c1cccc(CNC[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001392774982 1157402429 /nfs/dbraw/zinc/40/24/29/1157402429.db2.gz URBMIMRKQASKKD-SUMWQHHRSA-N 0 3 314.433 2.349 20 30 DEEDHN COc1cccc(Cl)c1CNC[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001373990282 1157530662 /nfs/dbraw/zinc/53/06/62/1157530662.db2.gz RVEAHZNGYSXXBD-RYUDHWBXSA-N 0 3 323.824 2.350 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1cscn1 ZINC001374874401 1158068337 /nfs/dbraw/zinc/06/83/37/1158068337.db2.gz DUSPWFGRZYGRLG-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cscn1 ZINC001375010970 1158201371 /nfs/dbraw/zinc/20/13/71/1158201371.db2.gz OMADTMUDXMDVND-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001394099260 1158273502 /nfs/dbraw/zinc/27/35/02/1158273502.db2.gz KRAYGYNZIKMOQN-XJKSGUPXSA-N 0 3 321.396 2.274 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cncnc2)CCCCC1 ZINC001394175915 1158348071 /nfs/dbraw/zinc/34/80/71/1158348071.db2.gz XWICPADAEMBWLI-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H](CNCc1cc(F)ccc1F)C1CC1 ZINC001394413892 1158500828 /nfs/dbraw/zinc/50/08/28/1158500828.db2.gz HFTMMSWGUJGBTE-BDJLRTHQSA-N 0 3 321.371 2.451 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001375507097 1158782717 /nfs/dbraw/zinc/78/27/17/1158782717.db2.gz XAUAEMSJSSLQOX-KFWWJZLASA-N 0 3 324.856 2.380 20 30 DEEDHN Cc1cccnc1CNC[C@@H](NC(=O)[C@@H](C)C#N)C1CCCC1 ZINC001375784282 1158871702 /nfs/dbraw/zinc/87/17/02/1158871702.db2.gz KHVWVXNFLFVTEV-WMLDXEAASA-N 0 3 314.433 2.314 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@H]1CC12CC2)NCc1ccc(F)c(C#N)c1 ZINC001403584088 1163022284 /nfs/dbraw/zinc/02/22/84/1163022284.db2.gz HTVJUTZZNQISCM-SWLSCSKDSA-N 0 3 315.392 2.434 20 30 DEEDHN Cc1ccc(F)c(CN[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)c1 ZINC001376694638 1159694726 /nfs/dbraw/zinc/69/47/26/1159694726.db2.gz HRDLJSORKGKLCZ-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NCc1ccc(C#N)c(F)c1 ZINC001376696849 1159697510 /nfs/dbraw/zinc/69/75/10/1159697510.db2.gz KUJCXBBILOVHFO-ZYIUAKIQSA-N 0 3 315.392 2.338 20 30 DEEDHN CC(=O)CCCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2)C1 ZINC001376890832 1159834850 /nfs/dbraw/zinc/83/48/50/1159834850.db2.gz LDOVRWOCYNHCJX-KRWDZBQOSA-N 0 3 313.401 2.008 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001377079639 1159893388 /nfs/dbraw/zinc/89/33/88/1159893388.db2.gz FURKYEHVKYOEEU-GHMZBOCLSA-N 0 3 312.845 2.367 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)CCCF)C2)c(F)c1 ZINC001397079292 1159952396 /nfs/dbraw/zinc/95/23/96/1159952396.db2.gz LWHCUXUGAKVIRQ-OTVXOJSOSA-N 0 3 321.371 2.431 20 30 DEEDHN CCCc1nc(C)c(CN[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)o1 ZINC001397575093 1160340349 /nfs/dbraw/zinc/34/03/49/1160340349.db2.gz SFBLYNUYUVDCDV-FPMFFAJLSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](OCC)C2CC2)C1 ZINC001397671472 1160391430 /nfs/dbraw/zinc/39/14/30/1160391430.db2.gz BKFMUXGYHDQVNT-CFVMTHIKSA-N 0 3 314.857 2.429 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccn2)CC(C)(C)C1 ZINC001397804163 1160529066 /nfs/dbraw/zinc/52/90/66/1160529066.db2.gz FBULQUJRSMAQJE-GJZGRUSLSA-N 0 3 314.433 2.348 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccns1 ZINC001377799318 1160830893 /nfs/dbraw/zinc/83/08/93/1160830893.db2.gz CNEBCNISTPXRDS-ZJUUUORDSA-N 0 3 320.443 2.373 20 30 DEEDHN CCc1ncoc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001399051564 1161206438 /nfs/dbraw/zinc/20/64/38/1161206438.db2.gz WSCWKXDCFBEXLA-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001399425605 1161388095 /nfs/dbraw/zinc/38/80/95/1161388095.db2.gz GFAAWLFBVDQORN-GFCCVEGCSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)CCOC)CCCC[C@@H]1C ZINC001401016981 1161860793 /nfs/dbraw/zinc/86/07/93/1161860793.db2.gz DRCQYXWZEKJBJD-SWLSCSKDSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)Cc1ccco1 ZINC001401136652 1161880973 /nfs/dbraw/zinc/88/09/73/1161880973.db2.gz AHFNFXGDDJQRNP-AWEZNQCLSA-N 0 3 311.385 2.236 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001401613831 1162046171 /nfs/dbraw/zinc/04/61/71/1162046171.db2.gz KDXOUOKCSNIZIA-VXGBXAGGSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccon1 ZINC001402018788 1162218093 /nfs/dbraw/zinc/21/80/93/1162218093.db2.gz NVQXORKSZLQHTH-GXTWGEPZSA-N 0 3 311.813 2.329 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)CCn1ccnc1)C1CCCC1 ZINC001402127688 1162256790 /nfs/dbraw/zinc/25/67/90/1162256790.db2.gz ZMBRWFUNTJVYGQ-OAHLLOKOSA-N 0 3 324.856 2.290 20 30 DEEDHN C=C(Cl)CN[C@@H](CC)CNC(=O)c1ccn2c(C)cnc2c1 ZINC001405264572 1164031303 /nfs/dbraw/zinc/03/13/03/1164031303.db2.gz XHKVWOQNEKBSAQ-AWEZNQCLSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(OC)no2)CCCC1 ZINC001405368118 1164066067 /nfs/dbraw/zinc/06/60/67/1164066067.db2.gz FPTGTPZDBDDNCD-UHFFFAOYSA-N 0 3 313.785 2.068 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)C(C)(C)F ZINC001405627488 1164166378 /nfs/dbraw/zinc/16/63/78/1164166378.db2.gz JRKGAJRFQKATOK-NSHDSACASA-N 0 3 309.360 2.287 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCOCC1)C(C)C ZINC001406011907 1164387314 /nfs/dbraw/zinc/38/73/14/1164387314.db2.gz CMRUWAABXDVVRU-KBPBESRZSA-N 0 3 302.846 2.286 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)Cc3ccco3)CC2)c1 ZINC001406975929 1164898670 /nfs/dbraw/zinc/89/86/70/1164898670.db2.gz KYIUDOILPMEWTA-UHFFFAOYSA-N 0 3 309.369 2.132 20 30 DEEDHN Cc1cccnc1CN1CC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001408107411 1165480719 /nfs/dbraw/zinc/48/07/19/1165480719.db2.gz QWZMSOATLBGPJD-HOCLYGCPSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001417898712 1167292394 /nfs/dbraw/zinc/29/23/94/1167292394.db2.gz JRBXPNSGIUXOHI-JSGCOSHPSA-N 0 3 311.813 2.329 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001417968490 1167335275 /nfs/dbraw/zinc/33/52/75/1167335275.db2.gz IAURKYLMLDJKJH-ZUZCIYMTSA-N 0 3 307.344 2.109 20 30 DEEDHN C[C@@H](CNC(=O)COC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC001418212271 1167494475 /nfs/dbraw/zinc/49/44/75/1167494475.db2.gz XBGVVXYWPJJUNU-LBPRGKRZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001418652073 1167865102 /nfs/dbraw/zinc/86/51/02/1167865102.db2.gz GOOYSTPODHIJRZ-MCIONIFRSA-N 0 3 310.829 2.071 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001418697889 1167893409 /nfs/dbraw/zinc/89/34/09/1167893409.db2.gz JTPJBQTWHBNRMJ-QEJZJMRPSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001419092037 1168195859 /nfs/dbraw/zinc/19/58/59/1168195859.db2.gz XZKHQQKHSSWNGD-PBHICJAKSA-N 0 3 317.408 2.499 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001419451134 1168498366 /nfs/dbraw/zinc/49/83/66/1168498366.db2.gz FOUVCPOAYIHHLW-TUKIKUTGSA-N 0 3 303.381 2.480 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)NCc1ccc(C#N)s1 ZINC001419732761 1168825060 /nfs/dbraw/zinc/82/50/60/1168825060.db2.gz RWXJMTKMKVCGHW-ZHAHWJHGSA-N 0 3 313.373 2.115 20 30 DEEDHN CCN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccc(C)cc1 ZINC001420376607 1169433193 /nfs/dbraw/zinc/43/31/93/1169433193.db2.gz IKDDLNPXCLVGTN-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CCO[C@@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C1CC1 ZINC001420423553 1169522966 /nfs/dbraw/zinc/52/29/66/1169522966.db2.gz SONXYAIJCUVQAF-XHDPSFHLSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccccc1Cl)C1CC1 ZINC001420719084 1171082782 /nfs/dbraw/zinc/08/27/82/1171082782.db2.gz QMSMXGLRPPRNDF-ABAIWWIYSA-N 0 3 305.809 2.484 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001421835999 1172031405 /nfs/dbraw/zinc/03/14/05/1172031405.db2.gz BFMIQBRMZHZUPA-CYBMUJFWSA-N 0 3 316.380 2.137 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cn2c(n1)CCCC2)C(C)C ZINC001422110183 1172310900 /nfs/dbraw/zinc/31/09/00/1172310900.db2.gz PYRQHWBFQIWSES-ZDUSSCGKSA-N 0 3 324.856 2.316 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1C)C(C)C ZINC001422128599 1172327171 /nfs/dbraw/zinc/32/71/71/1172327171.db2.gz RYDWSWUYUNXGSA-JLLWLGSASA-N 0 3 303.244 2.281 20 30 DEEDHN Cc1ncoc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001422140995 1172337659 /nfs/dbraw/zinc/33/76/59/1172337659.db2.gz GDQOBYGXLAIKTF-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001422149857 1172347313 /nfs/dbraw/zinc/34/73/13/1172347313.db2.gz BHDGTFWKBLICOI-LRDDRELGSA-N 0 3 303.381 2.363 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001422149849 1172347503 /nfs/dbraw/zinc/34/75/03/1172347503.db2.gz BHDGTFWKBLICOI-BLLLJJGKSA-N 0 3 303.381 2.363 20 30 DEEDHN Cc1c[nH]cc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001422168926 1172367742 /nfs/dbraw/zinc/36/77/42/1172367742.db2.gz BWCNAZHBWCTTNC-AWEZNQCLSA-N 0 3 310.401 2.493 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001422798862 1172868866 /nfs/dbraw/zinc/86/88/66/1172868866.db2.gz PXZXINQCPXPUFE-CQSZACIVSA-N 0 3 313.873 2.050 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001422804518 1172871573 /nfs/dbraw/zinc/87/15/73/1172871573.db2.gz VBYZYZRYUIZKMO-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001422906720 1172915750 /nfs/dbraw/zinc/91/57/50/1172915750.db2.gz WFPMWZNFHXYHJH-KCPJHIHWSA-N 0 3 324.856 2.065 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001422975074 1172990001 /nfs/dbraw/zinc/99/00/01/1172990001.db2.gz YUSAWRFTNGJIKS-IINYFYTJSA-N 0 3 323.487 2.356 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001423345743 1173273428 /nfs/dbraw/zinc/27/34/28/1173273428.db2.gz SBOLITCHCZDTIL-LJHODMEESA-N 0 3 322.412 2.331 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)c(C)o1 ZINC001424072865 1173643330 /nfs/dbraw/zinc/64/33/30/1173643330.db2.gz ULXZLDXUANKYSV-CQDKDKBSSA-N 0 3 318.421 2.216 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(C#N)s2)no1 ZINC001424740321 1173893903 /nfs/dbraw/zinc/89/39/03/1173893903.db2.gz BGQIBIOAFBGCLH-QWRGUYRKSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001424746619 1173896107 /nfs/dbraw/zinc/89/61/07/1173896107.db2.gz WJMRLMGZOITVDI-HSBZDZAISA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)c2cccnc2)C1 ZINC001425377804 1174301642 /nfs/dbraw/zinc/30/16/42/1174301642.db2.gz NSAARJCNRGXIRV-AULYBMBSSA-N 0 3 324.222 2.088 20 30 DEEDHN Cc1cccnc1CN1CCC([C@H](C)NC(=O)[C@H](C)C#N)CC1 ZINC001426193615 1174640248 /nfs/dbraw/zinc/64/02/48/1174640248.db2.gz QXWCLQPVWBLVKN-CABCVRRESA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)C1=COCCC1 ZINC001437367768 1179764361 /nfs/dbraw/zinc/76/43/61/1179764361.db2.gz PCUNIGCNDQJOLZ-LLVKDONJSA-N 0 3 317.227 2.074 20 30 DEEDHN CCCN(CCNC(=O)C(F)F)Cc1ccc(C#N)c(F)c1 ZINC001437734480 1179918899 /nfs/dbraw/zinc/91/88/99/1179918899.db2.gz AHLOTKPLIQSKQK-UHFFFAOYSA-N 0 3 313.323 2.291 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cnon2)CCCC[C@@H]1C ZINC001438431332 1180418162 /nfs/dbraw/zinc/41/81/62/1180418162.db2.gz IONQFMAOQZIWQL-IINYFYTJSA-N 0 3 312.801 2.090 20 30 DEEDHN C=C(Cl)CN1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001438451624 1180445113 /nfs/dbraw/zinc/44/51/13/1180445113.db2.gz ZCCQNQGTURLKCO-HNNXBMFYSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)C(C)C ZINC001438805005 1180817743 /nfs/dbraw/zinc/81/77/43/1180817743.db2.gz ABZNPQORZVMZNJ-DOMZBBRYSA-N 0 3 324.856 2.313 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC(C)(F)F ZINC001439142831 1180894977 /nfs/dbraw/zinc/89/49/77/1180894977.db2.gz BMRNSZWLUWFGNN-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C[C@H]1CCCCO1 ZINC001439204623 1180935259 /nfs/dbraw/zinc/93/52/59/1180935259.db2.gz YQFQXOFFTHUPMY-QWHCGFSZSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001439331113 1181026301 /nfs/dbraw/zinc/02/63/01/1181026301.db2.gz WTTFLLOTZUMHCS-AWEZNQCLSA-N 0 3 315.889 2.440 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C(C)(C)F)CC2)cc1C#N ZINC001439578488 1181153628 /nfs/dbraw/zinc/15/36/28/1181153628.db2.gz BATVCAULQOMLRC-UHFFFAOYSA-N 0 3 319.380 2.053 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(N[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001439594374 1181160817 /nfs/dbraw/zinc/16/08/17/1181160817.db2.gz BMSKWFBELQQQHI-ZUZCIYMTSA-N 0 3 319.355 2.350 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001440340506 1181455808 /nfs/dbraw/zinc/45/58/08/1181455808.db2.gz KGVPMSSJFQUHJB-HDJSIYSDSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cn(C(C)C)cn2)C1 ZINC001440756722 1181676772 /nfs/dbraw/zinc/67/67/72/1181676772.db2.gz RXTDYPHOYJZIRD-UHFFFAOYSA-N 0 3 310.829 2.315 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001440757953 1181677032 /nfs/dbraw/zinc/67/70/32/1181677032.db2.gz MCUDMJGZKFTWHE-HHTDUIENSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N[C@@H](C)c1ccccc1F ZINC001441798846 1182168717 /nfs/dbraw/zinc/16/87/17/1182168717.db2.gz MCBBYQPFYGIXCK-NEPJUHHUSA-N 0 3 314.364 2.495 20 30 DEEDHN C[C@H](CNCc1nsc2ccccc12)CNC(=O)[C@H](C)C#N ZINC001444314249 1183343996 /nfs/dbraw/zinc/34/39/96/1183343996.db2.gz XEZOOUHKQJATIB-VXGBXAGGSA-N 0 3 316.430 2.298 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2cncnc2)CCCC1 ZINC001444526948 1183432407 /nfs/dbraw/zinc/43/24/07/1183432407.db2.gz RETSXPUTCNQOTH-UHFFFAOYSA-N 0 3 322.840 2.180 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)C1(C)CCC1 ZINC001445415449 1183865895 /nfs/dbraw/zinc/86/58/95/1183865895.db2.gz AMLBUOZTCXGNNU-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN Cc1ocnc1C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001445698467 1183994641 /nfs/dbraw/zinc/99/46/41/1183994641.db2.gz WNKMUPRAKDSOJR-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN COc1ccc(CN2CCC(C)(CNC(C)=O)CC2)cc1C#N ZINC001446623466 1184457607 /nfs/dbraw/zinc/45/76/07/1184457607.db2.gz YRSATTPVUQXUGH-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](C)NC(=O)C1(C)CC1 ZINC001447852733 1184896978 /nfs/dbraw/zinc/89/69/78/1184896978.db2.gz KQXWJUKKWSFRID-QWHCGFSZSA-N 0 3 315.417 2.350 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)C1(C)CC1 ZINC001447864706 1184903200 /nfs/dbraw/zinc/90/32/00/1184903200.db2.gz XORAQIBXCSBSNR-VXGBXAGGSA-N 0 3 303.381 2.480 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)C2CC(C)C2)C1 ZINC001448497291 1185258217 /nfs/dbraw/zinc/25/82/17/1185258217.db2.gz LIXCMMOLYATAEK-CXONOXSGSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Br)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001448598119 1185314339 /nfs/dbraw/zinc/31/43/39/1185314339.db2.gz XLQPLJNYUOXPKF-TVYUQYBPSA-N 0 3 315.255 2.378 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001448868663 1185443302 /nfs/dbraw/zinc/44/33/02/1185443302.db2.gz AKYFJQQFKBPIRB-UHFFFAOYSA-N 0 3 303.362 2.113 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1[nH]nc2ccccc21 ZINC001448883488 1185446562 /nfs/dbraw/zinc/44/65/62/1185446562.db2.gz OHFQNCMLCMEDAT-UHFFFAOYSA-N 0 3 300.406 2.072 20 30 DEEDHN CC(C)OCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001448980705 1185470440 /nfs/dbraw/zinc/47/04/40/1185470440.db2.gz PPZQQYVHDOAYBR-IUODEOHRSA-N 0 3 321.446 2.124 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC[C@@H]2CCCO2)C1 ZINC001449371951 1185682242 /nfs/dbraw/zinc/68/22/42/1185682242.db2.gz HTWZYCCEYKZMJT-RUXDESIVSA-N 0 3 300.830 2.277 20 30 DEEDHN C[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@H](C)CN1C ZINC001164643585 719230200 /nfs/dbraw/zinc/23/02/00/719230200.db2.gz ZJIYCOAJVUPTEO-HUUCEWRRSA-N 0 3 314.433 2.182 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(OC)ccn1)C(C)C ZINC001406035379 1164401157 /nfs/dbraw/zinc/40/11/57/1164401157.db2.gz IBLLKUXEVBUSOF-CQSZACIVSA-N 0 3 311.813 2.187 20 30 DEEDHN C[C@@H]1CN(CCCc2ccc3c(c2)CCO3)C[C@H](C)N1CC#N ZINC001332022156 1149809426 /nfs/dbraw/zinc/80/94/26/1149809426.db2.gz SUPOGRNDLCQMHX-IYBDPMFKSA-N 0 3 313.445 2.472 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@H](NC/C=C/Cl)C[C@H]2C)c1 ZINC001332030680 1149810761 /nfs/dbraw/zinc/81/07/61/1149810761.db2.gz VFBVFURFAGTTTN-XDSYMSCESA-N 0 3 303.793 2.008 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC)c(F)c3)C2)C1 ZINC001072828532 790263467 /nfs/dbraw/zinc/26/34/67/790263467.db2.gz DCKBHIOCUUGRQA-UHFFFAOYSA-N 0 3 304.365 2.168 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)COCc2ncc(C)o2)[C@@H]1C ZINC001332185121 1149831867 /nfs/dbraw/zinc/83/18/67/1149831867.db2.gz NBZAKPGIQQLYBY-LSDHHAIUSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCn2cccn2)[C@@H]1C ZINC001332198839 1149833970 /nfs/dbraw/zinc/83/39/70/1149833970.db2.gz MAOULYDEERULDC-HZPDHXFCSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NCCC)C(C)(C)C1 ZINC001332413537 1149858171 /nfs/dbraw/zinc/85/81/71/1149858171.db2.gz OPMLSOMEKAKGAD-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC001072900803 790295313 /nfs/dbraw/zinc/29/53/13/790295313.db2.gz HXICOPLETBWZBW-UHFFFAOYSA-N 0 3 314.404 2.316 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)c2ccccc2)CC1 ZINC001332973111 1149941068 /nfs/dbraw/zinc/94/10/68/1149941068.db2.gz WFUCHGZKVPDHAL-INIZCTEOSA-N 0 3 314.429 2.167 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(C)o2)[C@H](OC)C1 ZINC001211795266 778857837 /nfs/dbraw/zinc/85/78/37/778857837.db2.gz GXEJKWNQJAQPCY-JGGQBBKZSA-N 0 3 306.406 2.372 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106564378 782783525 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CC#CCN1CC[C@@H](NC(=O)Cc2cc(C3CC3)no2)C[C@@H]1C ZINC000947387391 783123686 /nfs/dbraw/zinc/12/36/86/783123686.db2.gz PNZHELJHZRGCBI-DZGCQCFKSA-N 0 3 315.417 2.087 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc3cnccc32)C[C@H]1C ZINC000947444975 783138101 /nfs/dbraw/zinc/13/81/01/783138101.db2.gz DEWINTWUHPMPQO-QAPCUYQASA-N 0 3 321.424 2.380 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncoc2C(F)(F)F)C[C@H]1C ZINC000947463370 783141736 /nfs/dbraw/zinc/14/17/36/783141736.db2.gz GHOCBOJTWOXWDK-NXEZZACHSA-N 0 3 317.311 2.462 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2CCC)C[C@@H]1C ZINC000947494691 783152478 /nfs/dbraw/zinc/15/24/78/783152478.db2.gz ZYKVKZAEZZMCOZ-KBPBESRZSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C[C@H]1C ZINC000947521169 783159769 /nfs/dbraw/zinc/15/97/69/783159769.db2.gz XRYPIGXFYVVNJX-ZBFHGGJFSA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C[C@H]1C ZINC000947543219 783167534 /nfs/dbraw/zinc/16/75/34/783167534.db2.gz 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/nfs/dbraw/zinc/20/78/15/783207815.db2.gz MREYIFGCNHTLAO-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3cnccc3n2)C[C@@H]1C ZINC000947750299 783221558 /nfs/dbraw/zinc/22/15/58/783221558.db2.gz NSSRUHRVRKVNHS-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)c(COC)c3)C2)C1 ZINC001072969733 790339821 /nfs/dbraw/zinc/33/98/21/790339821.db2.gz MYDOOKQYPIVFFE-UHFFFAOYSA-N 0 3 318.392 2.306 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCOc4ccccc43)C2)C1 ZINC001073062758 790426042 /nfs/dbraw/zinc/42/60/42/790426042.db2.gz QFLMNHVTWOGYDM-KRWDZBQOSA-N 0 3 324.424 2.110 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H](O)C1 ZINC001090678022 790438460 /nfs/dbraw/zinc/43/84/60/790438460.db2.gz DFXPTEMOZRMZSO-TVFCKZIOSA-N 0 3 320.477 2.024 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@@H](O)C1 ZINC001090772857 790511803 /nfs/dbraw/zinc/51/18/03/790511803.db2.gz BLSLJLBGQMASEW-IRXDYDNUSA-N 0 3 302.418 2.045 20 30 DEEDHN C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNCc2ccccn2)C1 ZINC001087164177 777156602 /nfs/dbraw/zinc/15/66/02/777156602.db2.gz LKRFNSXFQALQDU-QAPCUYQASA-N 0 3 311.429 2.212 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)O)CCCCC1 ZINC001111484136 777200913 /nfs/dbraw/zinc/20/09/13/777200913.db2.gz WAVFKTSWMWGFAX-VQHPVUNQSA-N 0 3 318.461 2.063 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccco1)C[C@H](C)O2 ZINC001098556766 777206638 /nfs/dbraw/zinc/20/66/38/777206638.db2.gz DEHHALROALMZEC-AWEZNQCLSA-N 0 3 304.390 2.161 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100569042 777274497 /nfs/dbraw/zinc/27/44/97/777274497.db2.gz JRYSJVZMKFKXSX-UHFFFAOYSA-N 0 3 308.451 2.043 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccoc1C)C[C@@H](C)O2 ZINC001098562672 777296830 /nfs/dbraw/zinc/29/68/30/777296830.db2.gz ONVQQDCJQMGASJ-CQSZACIVSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)C=C(CC)CC ZINC001125592460 777327245 /nfs/dbraw/zinc/32/72/45/777327245.db2.gz GMYAJWNYOVBDPE-HNNXBMFYSA-N 0 3 323.481 2.252 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2sccc2C2CC2)[C@@H](O)C1 ZINC001090784382 790531124 /nfs/dbraw/zinc/53/11/24/790531124.db2.gz UHFPEVXCRSEKDR-CABCVRRESA-N 0 3 320.458 2.367 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001207362694 777456826 /nfs/dbraw/zinc/45/68/26/777456826.db2.gz IIRCFVXCEWNROY-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1c1ccccc1 ZINC001211581070 777479758 /nfs/dbraw/zinc/47/97/58/777479758.db2.gz YQPUPRDKNYUDHP-RBUKOAKNSA-N 0 3 322.408 2.430 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1=CCCC1)C[C@H](C)O2 ZINC001098583144 777638314 /nfs/dbraw/zinc/63/83/14/777638314.db2.gz KPJGSZVQSGLIIT-HNNXBMFYSA-N 0 3 304.434 2.365 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C)on1 ZINC001087270378 777675671 /nfs/dbraw/zinc/67/56/71/777675671.db2.gz YYJIOELXCVCFNJ-VNQPRFMTSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3O)C(C)(C)[C@H]21 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317.458 2.385 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@H](NC(=O)c3coc(OC)n3)C(C)(C)[C@H]21 ZINC001087299627 777748044 /nfs/dbraw/zinc/74/80/44/777748044.db2.gz ZOITZTLGHWAKHL-XBFCOCLRSA-N 0 3 319.405 2.088 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)[nH]c3C)C(C)(C)[C@H]21 ZINC001087305930 777760391 /nfs/dbraw/zinc/76/03/91/777760391.db2.gz AOJCJIFVZIQTBX-OIISXLGYSA-N 0 3 313.445 2.484 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)Cc3ccco3)C(C)(C)[C@H]21 ZINC001087309575 777766842 /nfs/dbraw/zinc/76/68/42/777766842.db2.gz JIGLSICRPQURBU-NJAFHUGGSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(OC)o3)C(C)(C)[C@H]21 ZINC001087309976 777769868 /nfs/dbraw/zinc/76/98/68/777769868.db2.gz OVKKCUBTPFJTIH-WQVCFCJDSA-N 0 3 316.401 2.140 20 30 DEEDHN O=C1C=C2CN(Cc3nc(C(F)(F)F)c[nH]3)CCC2S1 ZINC001137011827 790597766 /nfs/dbraw/zinc/59/77/66/790597766.db2.gz IPOKIEZUUXVMMQ-QMMMGPOBSA-N 0 3 303.309 2.203 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C)C1 ZINC001112064413 778257632 /nfs/dbraw/zinc/25/76/32/778257632.db2.gz CEPKJGQAJHASGV-JHJVBQTASA-N 0 3 320.355 2.133 20 30 DEEDHN N#Cc1cc(C(=O)NCCNCc2ccc(Cl)s2)c[nH]1 ZINC001125987736 778481615 /nfs/dbraw/zinc/48/16/15/778481615.db2.gz BOYJEZGRFXNFNL-UHFFFAOYSA-N 0 3 308.794 2.121 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](F)C(C)C)C[C@H](C)O2 ZINC001098627351 778568289 /nfs/dbraw/zinc/56/82/89/778568289.db2.gz PDPQSAAMJQLPFM-LSDHHAIUSA-N 0 3 312.429 2.248 20 30 DEEDHN CCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc1 ZINC001075616658 778751529 /nfs/dbraw/zinc/75/15/29/778751529.db2.gz ZUWSLUGAGHUVMR-FHLIZLRMSA-N 0 3 311.429 2.441 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2sccc2C)[C@H](OC)C1 ZINC001211765578 778846239 /nfs/dbraw/zinc/84/62/39/778846239.db2.gz CEGQTIYRHGJCRV-ZIAGYGMSSA-N 0 3 308.447 2.452 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC001211765912 778846916 /nfs/dbraw/zinc/84/69/16/778846916.db2.gz NOHRFLQWKWBTAE-GDBMZVCRSA-N 0 3 306.406 2.455 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001211857309 779197942 /nfs/dbraw/zinc/19/79/42/779197942.db2.gz HSJZVNLETBAPEE-NVXWUHKLSA-N 0 3 321.465 2.425 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3Oc4ccccc4[C@@H]3C)C2)C1 ZINC001073488926 790688846 /nfs/dbraw/zinc/68/88/46/790688846.db2.gz LBRVIPFVVDAEAJ-WMLDXEAASA-N 0 3 312.413 2.271 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H](C)OC)CC1 ZINC001105389679 779261611 /nfs/dbraw/zinc/26/16/11/779261611.db2.gz WAUCEHHIIGDPRZ-YJBOKZPZSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2scnc2CC)[C@H]1CC ZINC001087594291 779369305 /nfs/dbraw/zinc/36/93/05/779369305.db2.gz WXLBFDBBHSSDMS-UONOGXRCSA-N 0 3 305.447 2.312 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H]1CC ZINC001087638161 779391063 /nfs/dbraw/zinc/39/10/63/779391063.db2.gz DRBQZPLMZPHQAS-JKSUJKDBSA-N 0 3 316.449 2.447 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)[C@H]1CC ZINC001087670390 779402563 /nfs/dbraw/zinc/40/25/63/779402563.db2.gz OWSIYUPLMKPLTC-LSDHHAIUSA-N 0 3 314.389 2.438 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3onc(C)c3c2)[C@H]1CC ZINC001087680542 779406151 /nfs/dbraw/zinc/40/61/51/779406151.db2.gz YGVOWUPJAUHXHQ-LSDHHAIUSA-N 0 3 314.389 2.300 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@H]1CC ZINC001087801002 779457290 /nfs/dbraw/zinc/45/72/90/779457290.db2.gz SAIRQMACFOFUBR-DLBZAZTESA-N 0 3 312.417 2.191 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H]1CC ZINC001087834397 779475386 /nfs/dbraw/zinc/47/53/86/779475386.db2.gz BABRZHAZGFFDLK-UONOGXRCSA-N 0 3 305.447 2.366 20 30 DEEDHN CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925362 779548861 /nfs/dbraw/zinc/54/88/61/779548861.db2.gz IQNADQHTJHDLJY-QLFBSQMISA-N 0 3 318.396 2.028 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccn(CC)c3C)C[C@@H]2C1 ZINC001088076916 779680008 /nfs/dbraw/zinc/68/00/08/779680008.db2.gz BSJUYULUXMTPRD-SJORKVTESA-N 0 3 313.445 2.234 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3occ4c3CCCC4)C[C@@H]2C1 ZINC001088183260 779761907 /nfs/dbraw/zinc/76/19/07/779761907.db2.gz YJQSEVZFRYEMRA-ZBFHGGJFSA-N 0 3 312.413 2.186 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@@H]2C1 ZINC001088193902 779766350 /nfs/dbraw/zinc/76/63/50/779766350.db2.gz BWLHPYLYWAINAV-CVEARBPZSA-N 0 3 307.397 2.195 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3sc(C)nc3C)C[C@@H]2C1 ZINC001088194502 779766611 /nfs/dbraw/zinc/76/66/11/779766611.db2.gz IOTRGKPZSGMPDL-CABCVRRESA-N 0 3 317.458 2.177 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001088236046 779792365 /nfs/dbraw/zinc/79/23/65/779792365.db2.gz JUDNRSXIIAYLDD-IRXDYDNUSA-N 0 3 324.440 2.087 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NCc2ccccn2)C1 ZINC001088280314 779901908 /nfs/dbraw/zinc/90/19/08/779901908.db2.gz NTIVIOGTILCRPF-GOEBONIOSA-N 0 3 300.406 2.102 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@H](NCc2cncc(F)c2)C1 ZINC001088281322 779903501 /nfs/dbraw/zinc/90/35/01/779903501.db2.gz LFFDZFJOOXJNEB-CJNGLKHVSA-N 0 3 318.396 2.241 20 30 DEEDHN CCOC(=O)N1CCC(N(C)Cc2cncc(C#N)c2)CC1 ZINC001144083673 790748939 /nfs/dbraw/zinc/74/89/39/790748939.db2.gz NUWXQIKELAOKPK-UHFFFAOYSA-N 0 3 302.378 2.006 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2[nH]ccc2C2CC2)C1 ZINC001073630317 790752761 /nfs/dbraw/zinc/75/27/61/790752761.db2.gz RTLZOTBAACKTPI-HNNXBMFYSA-N 0 3 317.433 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2scnc2CC)C1 ZINC001073630492 790753012 /nfs/dbraw/zinc/75/30/12/790753012.db2.gz WGLKFQQIFZRVHG-ZDUSSCGKSA-N 0 3 323.462 2.102 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001088359969 780027530 /nfs/dbraw/zinc/02/75/30/780027530.db2.gz MXSMEOHQETXESV-AWEZNQCLSA-N 0 3 319.453 2.186 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001073654389 790770346 /nfs/dbraw/zinc/77/03/46/790770346.db2.gz DWSGTENNYGHWIX-ROUUACIJSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(Cl)cnn2CC)[C@H]1C ZINC001088590498 780557262 /nfs/dbraw/zinc/55/72/62/780557262.db2.gz DVXPCHCMOGSREN-YPMHNXCESA-N 0 3 310.829 2.325 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cncc(Cl)c3C)[C@@H]2C1 ZINC001075910890 780566185 /nfs/dbraw/zinc/56/61/85/780566185.db2.gz PKWYKAOVFWWCGU-XJKSGUPXSA-N 0 3 317.820 2.213 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnn2C2CCCC2)[C@H]1C ZINC001088599675 780570784 /nfs/dbraw/zinc/57/07/84/780570784.db2.gz ZJEOKJDCKJTNFV-ZBFHGGJFSA-N 0 3 314.433 2.214 20 30 DEEDHN CO[C@@H]1CN(CCC2CCCCCC2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041615 780595639 /nfs/dbraw/zinc/59/56/39/780595639.db2.gz VYUKUYRLOXOLHG-DJIMGWMZSA-N 0 3 321.465 2.322 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cn3cc(C)nc3s2)[C@H]1C ZINC001088621399 780659747 /nfs/dbraw/zinc/65/97/47/780659747.db2.gz CKALBLYTQVHEKH-OLZOCXBDSA-N 0 3 318.446 2.473 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@H]1C ZINC001088636932 780672004 /nfs/dbraw/zinc/67/20/04/780672004.db2.gz FUVDGSZTLGODEX-KGLIPLIRSA-N 0 3 303.406 2.322 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cncc(OC)c3C)[C@@H]2C1 ZINC001075948914 780879791 /nfs/dbraw/zinc/87/97/91/780879791.db2.gz OJAJHZYCPHWDDD-GOEBONIOSA-N 0 3 315.417 2.121 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)[C@H]1C ZINC001088738762 780923763 /nfs/dbraw/zinc/92/37/63/780923763.db2.gz SEMAXKPHJJIFFM-OLZOCXBDSA-N 0 3 303.406 2.188 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001075965974 780939957 /nfs/dbraw/zinc/93/99/57/780939957.db2.gz KTYHKVBAQZFAQP-UHOFOFEASA-N 0 3 316.449 2.239 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C)cc43)[C@@H]2C1 ZINC001075984571 780955428 /nfs/dbraw/zinc/95/54/28/780955428.db2.gz JHXYDHPEUNNFFV-WMLDXEAASA-N 0 3 322.412 2.041 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc3ccncc32)[C@H]1C ZINC001088774051 780972742 /nfs/dbraw/zinc/97/27/42/780972742.db2.gz UILAUNVFAIXMPD-CJNGLKHVSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)ccc2OC)[C@H]1C ZINC001088782467 780980377 /nfs/dbraw/zinc/98/03/77/780980377.db2.gz SBBUOVOPPCFDMH-DOMZBBRYSA-N 0 3 304.365 2.050 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2cscn2)C1 ZINC001101062050 781000791 /nfs/dbraw/zinc/00/07/91/781000791.db2.gz BFVGKYWZHQJXMN-UHFFFAOYSA-N 0 3 313.854 2.313 20 30 DEEDHN CC(C(=O)NCCNCc1ccc(C#N)c(F)c1)=C1CCC1 ZINC001126875933 781013732 /nfs/dbraw/zinc/01/37/32/781013732.db2.gz SYDIDSKMKQBGHA-UHFFFAOYSA-N 0 3 301.365 2.404 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001073752305 790844542 /nfs/dbraw/zinc/84/45/42/790844542.db2.gz UPNQKPFTJZHRKE-WMZOPIPTSA-N 0 3 314.429 2.110 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001168363278 781035799 /nfs/dbraw/zinc/03/57/99/781035799.db2.gz BGOKOFDUTOSEIP-UHFFFAOYSA-N 0 3 306.797 2.333 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC)cc2C)[C@H]1C ZINC001088830878 781075960 /nfs/dbraw/zinc/07/59/60/781075960.db2.gz JGKFRKNYGUIJSR-PBHICJAKSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001073758656 790851155 /nfs/dbraw/zinc/85/11/55/790851155.db2.gz PGIBPBWFSDMJED-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1 ZINC001076115046 781129742 /nfs/dbraw/zinc/12/97/42/781129742.db2.gz WVWJGKLTCOIEKM-SUMWQHHRSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCc4cccnc43)[C@@H]2C1 ZINC001076160281 781146165 /nfs/dbraw/zinc/14/61/65/781146165.db2.gz VRKNMQCRIIQXHE-YESZJQIVSA-N 0 3 311.429 2.220 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)[C@@H]2C1 ZINC001076158822 781146210 /nfs/dbraw/zinc/14/62/10/781146210.db2.gz GAERNMPPTYZLGQ-QILLFSRXSA-N 0 3 324.424 2.352 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)[C@@H]2C1 ZINC001076328087 781220874 /nfs/dbraw/zinc/22/08/74/781220874.db2.gz DMBAALAEKYKJCE-XJKSGUPXSA-N 0 3 315.417 2.243 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c[nH]c4cccnc34)[C@@H]2C1 ZINC001076463186 781275059 /nfs/dbraw/zinc/27/50/59/781275059.db2.gz GKHHIBSBGSBHPP-XJKSGUPXSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001077097470 781486858 /nfs/dbraw/zinc/48/68/58/781486858.db2.gz QTYKTSWDBUIERH-QZTJIDSGSA-N 0 3 314.429 2.305 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3cccn3cn2)C1 ZINC001091093817 790906672 /nfs/dbraw/zinc/90/66/72/790906672.db2.gz NQSWIRMWYWHQAI-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CSCC#N ZINC001224903365 781736687 /nfs/dbraw/zinc/73/66/87/781736687.db2.gz XZUHMMIAIQRPLL-VXGBXAGGSA-N 0 3 301.843 2.013 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC001073844899 790911002 /nfs/dbraw/zinc/91/10/02/790911002.db2.gz FCHOUDUMOSYTNR-AWEZNQCLSA-N 0 3 321.421 2.195 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H](O)C1 ZINC001083675978 781845867 /nfs/dbraw/zinc/84/58/67/781845867.db2.gz BZMKKGYBXNKFRS-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C[C@@H]1C ZINC000947797160 783233966 /nfs/dbraw/zinc/23/39/66/783233966.db2.gz YUGIQMBFECJYHH-KSSFIOAISA-N 0 3 322.412 2.293 20 30 DEEDHN CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255044 783248307 /nfs/dbraw/zinc/24/83/07/783248307.db2.gz BPXOSWDNUJQSGY-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c3ccccc3nn2C)C[C@@H]1C ZINC000947894992 783260543 /nfs/dbraw/zinc/26/05/43/783260543.db2.gz FDNCRRKEIAGRJW-GJZGRUSLSA-N 0 3 324.428 2.179 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001089607522 783269476 /nfs/dbraw/zinc/26/94/76/783269476.db2.gz MDVGHHPYEVFASC-OAHLLOKOSA-N 0 3 304.438 2.217 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2coc(CCC)n2)C[C@H]1C ZINC000947925070 783272120 /nfs/dbraw/zinc/27/21/20/783272120.db2.gz JNMSCOSDPQOEQU-KGLIPLIRSA-N 0 3 303.406 2.233 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccnc2OCC)C[C@@H]1C ZINC000947994208 783289322 /nfs/dbraw/zinc/28/93/22/783289322.db2.gz MZEUDSBPEUVAHO-GJZGRUSLSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccn3ccnc3c2)C1 ZINC001091141027 790928904 /nfs/dbraw/zinc/92/89/04/790928904.db2.gz YNYYGDHQQGQTNE-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3nccnc3c2)C[C@H]1C ZINC000948011799 783293376 /nfs/dbraw/zinc/29/33/76/783293376.db2.gz LDQGXTBMBVXPBX-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1nccn1CC ZINC001089635225 783305540 /nfs/dbraw/zinc/30/55/40/783305540.db2.gz MYRLCEQNELGUGG-HNNXBMFYSA-N 0 3 316.449 2.147 20 30 DEEDHN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659077 783330105 /nfs/dbraw/zinc/33/01/05/783330105.db2.gz SBJOHQPVDQOINY-SJORKVTESA-N 0 3 319.493 2.101 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c(C)noc2C)CC1 ZINC000948176842 783353452 /nfs/dbraw/zinc/35/34/52/783353452.db2.gz IYCZOIDZAOIMSN-OAHLLOKOSA-N 0 3 303.406 2.241 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001073880727 790939413 /nfs/dbraw/zinc/93/94/13/790939413.db2.gz RIJSCPFDCRWZKU-MRXNPFEDSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3cccnc3n2)CC1 ZINC000948385943 783448381 /nfs/dbraw/zinc/44/83/81/783448381.db2.gz SCBBUQNVWMNGIK-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000948565179 783504095 /nfs/dbraw/zinc/50/40/95/783504095.db2.gz AOHVEJIJKFLTFS-HNNXBMFYSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc3ncccc3o2)CC1 ZINC000948623898 783535734 /nfs/dbraw/zinc/53/57/34/783535734.db2.gz AQVRHQFWWJVLAS-CQSZACIVSA-N 0 3 311.385 2.388 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC000966165984 783587007 /nfs/dbraw/zinc/58/70/07/783587007.db2.gz HVIRNJRUWNBUJN-ZBFHGGJFSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(OC)c1 ZINC001085255216 783608846 /nfs/dbraw/zinc/60/88/46/783608846.db2.gz TTYGTTKDXGALLC-ZIAGYGMSSA-N 0 3 323.824 2.473 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC001085304039 783632013 /nfs/dbraw/zinc/63/20/13/783632013.db2.gz JPEZGVIJWQGFKR-NXEZZACHSA-N 0 3 315.826 2.232 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC000966324480 783636025 /nfs/dbraw/zinc/63/60/25/783636025.db2.gz JNPOQNZUKXTIDA-WCQYABFASA-N 0 3 310.829 2.090 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001066242912 783638037 /nfs/dbraw/zinc/63/80/37/783638037.db2.gz MGHYZKOVQWKFSD-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC000966387844 783649679 /nfs/dbraw/zinc/64/96/79/783649679.db2.gz PFCPAKYBGBFFRK-GDBMZVCRSA-N 0 3 316.449 2.102 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001085375994 783659908 /nfs/dbraw/zinc/65/99/08/783659908.db2.gz LOJZLXMYASMHBE-NFAWXSAZSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC000966596799 783704814 /nfs/dbraw/zinc/70/48/14/783704814.db2.gz FHSDBJMYJBPWHV-DOMZBBRYSA-N 0 3 321.396 2.246 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CN(CCCF)CC[C@H]1C ZINC000966695322 783734214 /nfs/dbraw/zinc/73/42/14/783734214.db2.gz PPHDIUHPDRNSIQ-CABCVRRESA-N 0 3 307.413 2.474 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnn1C1CCC1 ZINC001085601380 783866107 /nfs/dbraw/zinc/86/61/07/783866107.db2.gz VYEJOHFJGMRVDP-HNNXBMFYSA-N 0 3 302.422 2.331 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000967279585 783927685 /nfs/dbraw/zinc/92/76/85/783927685.db2.gz NXNLNJHREKMELY-RHSMWYFYSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001085688342 783966749 /nfs/dbraw/zinc/96/67/49/783966749.db2.gz HPCWZMZFBWLCQK-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001085707087 783991758 /nfs/dbraw/zinc/99/17/58/783991758.db2.gz CKZWHGATYBSRJD-FUHWJXTLSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2nccc3occc32)C1 ZINC000967418928 783992840 /nfs/dbraw/zinc/99/28/40/783992840.db2.gz DUVWHHTVZDKQJO-ZFWWWQNUSA-N 0 3 311.385 2.291 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001091183067 790996643 /nfs/dbraw/zinc/99/66/43/790996643.db2.gz DMBXZSZUOSEAHS-MLVVQWTHSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001085873133 784162512 /nfs/dbraw/zinc/16/25/12/784162512.db2.gz QIXJNWOPOASRDN-SNVBAGLBSA-N 0 3 316.327 2.151 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC000968018541 784203984 /nfs/dbraw/zinc/20/39/84/784203984.db2.gz SSWYOEAGCQUHJE-BBRMVZONSA-N 0 3 305.397 2.166 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914437 784204783 /nfs/dbraw/zinc/20/47/83/784204783.db2.gz AFYOSJZVVCMUFY-KRWDZBQOSA-N 0 3 316.449 2.406 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC001085916684 784209117 /nfs/dbraw/zinc/20/91/17/784209117.db2.gz GGQMBPRKBOUWDW-OAHLLOKOSA-N 0 3 304.438 2.495 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001066341447 784221564 /nfs/dbraw/zinc/22/15/64/784221564.db2.gz UCTQKNODPNTGPY-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001085922843 784221739 /nfs/dbraw/zinc/22/17/39/784221739.db2.gz LGKGYOFEIXVKHO-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001085970368 784270178 /nfs/dbraw/zinc/27/01/78/784270178.db2.gz YAJYYOCNQKCOCW-CYBMUJFWSA-N 0 3 300.362 2.002 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2cccnc2C)C1 ZINC000968327319 784291693 /nfs/dbraw/zinc/29/16/93/784291693.db2.gz LWEYSKVOBRKNLP-RHSMWYFYSA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccccc2C)[C@@H](O)C1 ZINC001100018405 784295654 /nfs/dbraw/zinc/29/56/54/784295654.db2.gz RSKIFPOEXRVZDT-ROUUACIJSA-N 0 3 316.445 2.055 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968332936 784296360 /nfs/dbraw/zinc/29/63/60/784296360.db2.gz ZIWZTJIHAAGMIF-JSGCOSHPSA-N 0 3 324.856 2.019 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000968474954 784406406 /nfs/dbraw/zinc/40/64/06/784406406.db2.gz DIYQIJKUFXWRJF-ACJLOTCBSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC000968472672 784406816 /nfs/dbraw/zinc/40/68/16/784406816.db2.gz WDUDXYDJOCOWHC-YOEHRIQHSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC000968472671 784407331 /nfs/dbraw/zinc/40/73/31/784407331.db2.gz WDUDXYDJOCOWHC-WMLDXEAASA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001086104675 784411939 /nfs/dbraw/zinc/41/19/39/784411939.db2.gz NQVNIHYHMJLFPS-BARDWOONSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC000968483200 784413029 /nfs/dbraw/zinc/41/30/29/784413029.db2.gz DGPLRKXWGRNBQI-GOEBONIOSA-N 0 3 318.465 2.100 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ocnc2C(F)F)C1 ZINC001086197753 784482415 /nfs/dbraw/zinc/48/24/15/784482415.db2.gz ZLYHFWBLIQKMCU-DTORHVGOSA-N 0 3 319.739 2.463 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC000968634852 784513448 /nfs/dbraw/zinc/51/34/48/784513448.db2.gz BCOVSGGDEQUKRL-CRAIPNDOSA-N 0 3 314.429 2.297 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001171221817 791033651 /nfs/dbraw/zinc/03/36/51/791033651.db2.gz VODQVOTVJMDHNY-APWZRJJASA-N 0 3 313.445 2.286 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccccc1O ZINC000968758452 784575722 /nfs/dbraw/zinc/57/57/22/784575722.db2.gz MEVPWXOJKQTTKG-HNNXBMFYSA-N 0 3 300.402 2.390 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001086360615 784623253 /nfs/dbraw/zinc/62/32/53/784623253.db2.gz OLMPRZXKCVXIOS-OPRDCNLKSA-N 0 3 323.181 2.035 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC000968923583 784651942 /nfs/dbraw/zinc/65/19/42/784651942.db2.gz XRIQLKTZUULAEQ-JKSUJKDBSA-N 0 3 316.449 2.307 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC000968944054 784663511 /nfs/dbraw/zinc/66/35/11/784663511.db2.gz DZJDPDHAPGAJQJ-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC000968973290 784675940 /nfs/dbraw/zinc/67/59/40/784675940.db2.gz FPMLZSXKNQMTNR-HNNXBMFYSA-N 0 3 315.417 2.012 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001086409619 784688753 /nfs/dbraw/zinc/68/87/53/784688753.db2.gz KKWUXZSYHDSRRV-XDQVBPFNSA-N 0 3 300.830 2.038 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1c[nH]c(=O)cc1C ZINC000969025812 784695338 /nfs/dbraw/zinc/69/53/38/784695338.db2.gz WBTGECPLVAGDLC-HNNXBMFYSA-N 0 3 315.417 2.093 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2conc2C2CC2)C1 ZINC001091227417 791048441 /nfs/dbraw/zinc/04/84/41/791048441.db2.gz IZFIEYIKEIILGO-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001086429400 784723013 /nfs/dbraw/zinc/72/30/13/784723013.db2.gz PUEJTWHKNCUGHH-CTYIDZIISA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3cccnn32)C1 ZINC001086498580 784793501 /nfs/dbraw/zinc/79/35/01/784793501.db2.gz SSYHAVYZWAYFPY-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108294471 784841747 /nfs/dbraw/zinc/84/17/47/784841747.db2.gz DGBRENFNBRONJX-MAUKXSAKSA-N 0 3 320.433 2.384 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC001007458346 784925753 /nfs/dbraw/zinc/92/57/53/784925753.db2.gz WOGQKWXFLJIYRK-AWEZNQCLSA-N 0 3 316.401 2.228 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001007556116 784949630 /nfs/dbraw/zinc/94/96/30/784949630.db2.gz WLIKCCRCTXZARI-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cncc(OC)c2C)C1 ZINC001007647887 784968406 /nfs/dbraw/zinc/96/84/06/784968406.db2.gz DIJSPXHMCNMPOI-AWEZNQCLSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCCOCC(=O)NC[C@@]1(C)CN([C@H](C)CCC=C)CCO1 ZINC001108430212 784982769 /nfs/dbraw/zinc/98/27/69/784982769.db2.gz YUDUZOQJYZTMNX-AEFFLSMTSA-N 0 3 324.465 2.141 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001171231925 791072122 /nfs/dbraw/zinc/07/21/22/791072122.db2.gz OBSXMMDJURHIGB-KBXCAEBGSA-N 0 3 311.429 2.480 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001007786922 785005663 /nfs/dbraw/zinc/00/56/63/785005663.db2.gz PKMZJQAFNFEXEE-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001007915606 785046300 /nfs/dbraw/zinc/04/63/00/785046300.db2.gz SXMZHLNAGWLLCX-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001007928392 785051281 /nfs/dbraw/zinc/05/12/81/785051281.db2.gz YOLHTKONTLASSX-ZDUSSCGKSA-N 0 3 303.406 2.324 20 30 DEEDHN Cc1ncc(CNCCCC[C@H](C)NC(=O)CSCC#N)o1 ZINC001169258056 785120210 /nfs/dbraw/zinc/12/02/10/785120210.db2.gz MQSCIABMYQCDAD-LBPRGKRZSA-N 0 3 324.450 2.004 20 30 DEEDHN CC1(C)CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001169301491 785135811 /nfs/dbraw/zinc/13/58/11/785135811.db2.gz UNQVTCXIRMVZDC-UHFFFAOYSA-N 0 3 310.397 2.408 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001008427638 785197317 /nfs/dbraw/zinc/19/73/17/785197317.db2.gz IRLMJWWTUOSQOS-AWEZNQCLSA-N 0 3 318.465 2.488 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001074168743 791094478 /nfs/dbraw/zinc/09/44/78/791094478.db2.gz PKMKLLXTZZBYOI-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001009048007 785371833 /nfs/dbraw/zinc/37/18/33/785371833.db2.gz ZUKXZIIGKKSLRQ-ZIAGYGMSSA-N 0 3 316.449 2.305 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001009317241 785428070 /nfs/dbraw/zinc/42/80/70/785428070.db2.gz DEWPKGVPBBJNRT-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2csc3nccn23)C1 ZINC001009539160 785477443 /nfs/dbraw/zinc/47/74/43/785477443.db2.gz AZEMNVUJEJHJMU-CYBMUJFWSA-N 0 3 318.446 2.095 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001009645911 785499189 /nfs/dbraw/zinc/49/91/89/785499189.db2.gz ZHWXOUUKBYZNHZ-HNNXBMFYSA-N 0 3 317.408 2.109 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001108918750 785620608 /nfs/dbraw/zinc/62/06/08/785620608.db2.gz IVUHBRDJLMAYIJ-YVSFHVDLSA-N 0 3 304.434 2.267 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001156672221 785832435 /nfs/dbraw/zinc/83/24/35/785832435.db2.gz JXIODPLJNPIXRD-CYBMUJFWSA-N 0 3 306.454 2.171 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC13CC3)C2 ZINC001109443985 785880222 /nfs/dbraw/zinc/88/02/22/785880222.db2.gz NWAWCTULXRWEFT-QZWWFDLISA-N 0 3 318.461 2.491 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(F)(F)F)C2 ZINC001109611396 785954504 /nfs/dbraw/zinc/95/45/04/785954504.db2.gz HRYIPFVAOJIIEH-RNJOBUHISA-N 0 3 320.355 2.109 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1cccnc1)C2 ZINC001109900581 786096729 /nfs/dbraw/zinc/09/67/29/786096729.db2.gz WXLGHUWUQBRQSY-SQNIBIBYSA-N 0 3 311.429 2.149 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(CCO)C[C@H](F)CC)CC1 ZINC001098464869 786416379 /nfs/dbraw/zinc/41/63/79/786416379.db2.gz KEZRMSSCPMAEQY-OAHLLOKOSA-N 0 3 314.445 2.376 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CCSC ZINC001157510385 786484931 /nfs/dbraw/zinc/48/49/31/786484931.db2.gz PFWGTSXSUCDFEI-OAHLLOKOSA-N 0 3 314.495 2.255 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001015265380 786963625 /nfs/dbraw/zinc/96/36/25/786963625.db2.gz TXHKVICLNQQHEU-CYBMUJFWSA-N 0 3 303.406 2.324 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1nccn1CC ZINC001170425332 787022654 /nfs/dbraw/zinc/02/26/54/787022654.db2.gz LIZQDGIUQIBMRG-MRXNPFEDSA-N 0 3 318.465 2.471 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001015518311 787089891 /nfs/dbraw/zinc/08/98/91/787089891.db2.gz IABYEYKTMIUCDK-UONOGXRCSA-N 0 3 319.405 2.296 20 30 DEEDHN CC/C(C)=C/C(=O)NC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001114242145 787172681 /nfs/dbraw/zinc/17/26/81/787172681.db2.gz ILGZXARKXISGSW-XHUMCMQFSA-N 0 3 309.413 2.461 20 30 DEEDHN CCc1cccc(C(=O)NCCNCc2ccc(C#N)s2)n1 ZINC001129588992 787229359 /nfs/dbraw/zinc/22/93/59/787229359.db2.gz WZFSISLOHHIKOO-UHFFFAOYSA-N 0 3 314.414 2.097 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1cccc(C#N)c1)c1ccncc1 ZINC001130195349 787311960 /nfs/dbraw/zinc/31/19/60/787311960.db2.gz QAUVKHSYWJPUEN-OAHLLOKOSA-N 0 3 322.412 2.353 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)/C(C)=C/CC)C1 ZINC001130355242 787359686 /nfs/dbraw/zinc/35/96/86/787359686.db2.gz LBVWXNJYYLWIMQ-BLXFFLACSA-N 0 3 302.422 2.358 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)C2CC2)C1 ZINC001130363962 787366953 /nfs/dbraw/zinc/36/69/53/787366953.db2.gz AAXDNSKPAJEBBO-TZMCWYRMSA-N 0 3 302.422 2.047 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](CC)OC)C1 ZINC001095984093 787435549 /nfs/dbraw/zinc/43/55/49/787435549.db2.gz BUUCWROGMSBSKG-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c1CC)C2 ZINC001096015265 787449786 /nfs/dbraw/zinc/44/97/86/787449786.db2.gz ZVNLHCOIMJJPLB-KMFMINBZSA-N 0 3 301.434 2.499 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3ccccc3O1)C2 ZINC001096195624 787569358 /nfs/dbraw/zinc/56/93/58/787569358.db2.gz RBFIYRRLLNSDFE-DFEOGRTESA-N 0 3 324.424 2.125 20 30 DEEDHN C[C@H](Nc1nccc(-c2ccccc2)c1C#N)[C@H]1CNCCO1 ZINC001170558835 787612675 /nfs/dbraw/zinc/61/26/75/787612675.db2.gz RHMDUKNXYDCADN-SUMWQHHRSA-N 0 3 308.385 2.409 20 30 DEEDHN C=CCOCCN1CC[C@@]2(C1)CN(C(=O)CCCC)C[C@H](C)O2 ZINC001131629246 787665406 /nfs/dbraw/zinc/66/54/06/787665406.db2.gz ODZOWTPYYMFGQU-FUHWJXTLSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@@H](C)O2 ZINC001131682173 787682406 /nfs/dbraw/zinc/68/24/06/787682406.db2.gz MBXZTCWUBCVAMM-APWZRJJASA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CCF)CC1)C[C@@H](C)O2 ZINC001131673688 787687045 /nfs/dbraw/zinc/68/70/45/787687045.db2.gz QOVOTLBVODFBES-CRAIPNDOSA-N 0 3 324.440 2.394 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(COC)cc1)C2 ZINC001096520736 787709094 /nfs/dbraw/zinc/70/90/94/787709094.db2.gz OXGBOLORDUQYKJ-SQNIBIBYSA-N 0 3 312.413 2.191 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001100338476 787758940 /nfs/dbraw/zinc/75/89/40/787758940.db2.gz VQFQSJAQUQKRHZ-UXUKBGGZSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cccc(C)n2)CC[C@H]1C ZINC001131817322 787758922 /nfs/dbraw/zinc/75/89/22/787758922.db2.gz LSLAEVDDKOTNFG-HZPDHXFCSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cncc(C)c2)CC[C@@H]1C ZINC001131930404 787803612 /nfs/dbraw/zinc/80/36/12/787803612.db2.gz FUQFVQHTCLNUOL-RDJZCZTQSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cnccc2C)CC[C@H]1C ZINC001131923202 787817879 /nfs/dbraw/zinc/81/78/79/787817879.db2.gz PETPHTXPFOUTKC-HZPDHXFCSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cc[nH]c2C)CC[C@@H]1C ZINC001131950082 787837967 /nfs/dbraw/zinc/83/79/67/787837967.db2.gz IPYYCXNEZWGVTJ-ZFWWWQNUSA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2ccc(C)o2)CC[C@@H]1C ZINC001131965829 787856947 /nfs/dbraw/zinc/85/69/47/787856947.db2.gz ZNPBAJGMNCJFND-GOEBONIOSA-N 0 3 320.433 2.302 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cnn(C)c2C)CC[C@@H]1C ZINC001132069201 787915027 /nfs/dbraw/zinc/91/50/27/787915027.db2.gz QOBJBFTVUPKXFR-WMLDXEAASA-N 0 3 318.465 2.206 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@H]1C ZINC001132065929 787923264 /nfs/dbraw/zinc/92/32/64/787923264.db2.gz ZNEZMSYKHZXISN-AEFFLSMTSA-N 0 3 316.445 2.457 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C2 ZINC001097087662 787973082 /nfs/dbraw/zinc/97/30/82/787973082.db2.gz VAGYBNLSNJTQET-NCOADZHNSA-N 0 3 318.461 2.327 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132227415 787980619 /nfs/dbraw/zinc/98/06/19/787980619.db2.gz DANTXCZLRVYYJZ-CABCVRRESA-N 0 3 304.438 2.064 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc(C)ccn31)C2 ZINC001097130507 787987850 /nfs/dbraw/zinc/98/78/50/787987850.db2.gz QGUWKSVMPVKIKF-OAGGEKHMSA-N 0 3 322.412 2.001 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@H]1C ZINC001132240307 787991968 /nfs/dbraw/zinc/99/19/68/787991968.db2.gz FESXJOBAXQTZAE-ZBFHGGJFSA-N 0 3 317.433 2.265 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001132308611 788020471 /nfs/dbraw/zinc/02/04/71/788020471.db2.gz MOZFGTBQCLUFEZ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CF)CCOCC2)CC[C@@H]1C ZINC001132309689 788023095 /nfs/dbraw/zinc/02/30/95/788023095.db2.gz BGANVAQZPFNJOJ-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCn2ccnc2C)CC[C@H]1C ZINC001132354735 788035254 /nfs/dbraw/zinc/03/52/54/788035254.db2.gz OYLSLXRKADYAFH-GDBMZVCRSA-N 0 3 304.438 2.127 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCOC2CCOCC2)CC[C@@H]1C ZINC001132417084 788066665 /nfs/dbraw/zinc/06/66/65/788066665.db2.gz RLCMDODLYOSTNO-HOTGVXAUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCCCNC(C)=O)CC[C@H]1C ZINC001132472536 788090640 /nfs/dbraw/zinc/09/06/40/788090640.db2.gz IKIBMNVXEPRXRO-NVXWUHKLSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2cncc(F)c2)CC[C@H]1C ZINC001132543094 788119635 /nfs/dbraw/zinc/11/96/35/788119635.db2.gz VFCZHNHADMFUIC-CJNGLKHVSA-N 0 3 305.397 2.308 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCCO)C2)CCCC1 ZINC001132546612 788120673 /nfs/dbraw/zinc/12/06/73/788120673.db2.gz OOXDFEBOACLLQP-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132592971 788141690 /nfs/dbraw/zinc/14/16/90/788141690.db2.gz KOSKEUHGOVTCFY-UHFFFAOYSA-N 0 3 304.438 2.038 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@@H](CNCc2cnns2)C1 ZINC001132700173 788172432 /nfs/dbraw/zinc/17/24/32/788172432.db2.gz DDDFXSAOKHXWTI-STQMWFEESA-N 0 3 308.451 2.079 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@H]2CC[C@H](F)C2)ccc1F ZINC001132954455 788241940 /nfs/dbraw/zinc/24/19/40/788241940.db2.gz OOBMDMCWGPXKJE-JSGCOSHPSA-N 0 3 307.344 2.041 20 30 DEEDHN COc1cc(CNCCCC[C@H](C)NC(=O)C#CC(C)C)on1 ZINC001170647588 788269977 /nfs/dbraw/zinc/26/99/77/788269977.db2.gz GPXIPOKPUCDUPP-AWEZNQCLSA-N 0 3 321.421 2.107 20 30 DEEDHN Cc1ncc(CNCCCC[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001170673332 788325337 /nfs/dbraw/zinc/32/53/37/788325337.db2.gz AUWUYLBOAOKOFZ-ZDUSSCGKSA-N 0 3 303.406 2.161 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C(F)F ZINC001133374721 788383559 /nfs/dbraw/zinc/38/35/59/788383559.db2.gz QDHXQSRGVBFETA-UHFFFAOYSA-N 0 3 300.736 2.157 20 30 DEEDHN C=C1CCC(C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC001133375872 788395672 /nfs/dbraw/zinc/39/56/72/788395672.db2.gz MJPVSQGTPAVHTD-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN CCCOCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133880795 788656343 /nfs/dbraw/zinc/65/63/43/788656343.db2.gz NADWODCIIBCKTM-GJZGRUSLSA-N 0 3 317.433 2.358 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)cn1 ZINC001134119221 788770993 /nfs/dbraw/zinc/77/09/93/788770993.db2.gz NGCNQTKDIVXZKG-LSDHHAIUSA-N 0 3 316.449 2.352 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC001134204998 788798540 /nfs/dbraw/zinc/79/85/40/788798540.db2.gz GMOJWYJEPZNWBW-STQMWFEESA-N 0 3 305.422 2.468 20 30 DEEDHN Cc1nc(C)c(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)o1 ZINC001134346069 788889150 /nfs/dbraw/zinc/88/91/50/788889150.db2.gz YSLQFJRYVGEWPR-QWHCGFSZSA-N 0 3 305.422 2.324 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)c(F)c2)c(C)[nH]1 ZINC001134423263 788913272 /nfs/dbraw/zinc/91/32/72/788913272.db2.gz BSLDURIGVRYVIJ-UHFFFAOYSA-N 0 3 314.364 2.162 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H]1COC(C)(C)O1 ZINC001170768864 789040068 /nfs/dbraw/zinc/04/00/68/789040068.db2.gz IZJIGSPCSCVAIF-MRXNPFEDSA-N 0 3 304.390 2.158 20 30 DEEDHN C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001134710946 789045648 /nfs/dbraw/zinc/04/56/48/789045648.db2.gz CAZZIRRZDZODAD-NWDGAFQWSA-N 0 3 318.421 2.122 20 30 DEEDHN C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001134710828 789046017 /nfs/dbraw/zinc/04/60/17/789046017.db2.gz ARCGLKAJCSFEAY-VXGBXAGGSA-N 0 3 318.421 2.122 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2coc(C3CC3)n2)s1 ZINC001134883722 789126611 /nfs/dbraw/zinc/12/66/11/789126611.db2.gz SCZSYSCEVFXMJU-UHFFFAOYSA-N 0 3 316.386 2.005 20 30 DEEDHN C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001134923146 789132922 /nfs/dbraw/zinc/13/29/22/789132922.db2.gz SZOCALULVCPREG-OLZOCXBDSA-N 0 3 313.401 2.201 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC001086727051 789135034 /nfs/dbraw/zinc/13/50/34/789135034.db2.gz NFDBMNGHXMTGBE-RJZJGCCBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001070414014 789316732 /nfs/dbraw/zinc/31/67/32/789316732.db2.gz CIKUNPNRLKGELD-WCQYABFASA-N 0 3 324.375 2.047 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2nccn2C)C1 ZINC001135420005 789343142 /nfs/dbraw/zinc/34/31/42/789343142.db2.gz RWWYPLMUIPAYQH-UONOGXRCSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001135561357 789399159 /nfs/dbraw/zinc/39/91/59/789399159.db2.gz RKZUGXHIIBKMOO-ZIAGYGMSSA-N 0 3 306.454 2.395 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001070767632 789452039 /nfs/dbraw/zinc/45/20/39/789452039.db2.gz FZOAVUBBQZUTQD-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001070791094 789457401 /nfs/dbraw/zinc/45/74/01/789457401.db2.gz BHHBGJVPWYUOML-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1occc1C)C[C@H](C)O2 ZINC001071136326 789549938 /nfs/dbraw/zinc/54/99/38/789549938.db2.gz HZNMCUNYPKSCQM-MAUKXSAKSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccns1)C[C@@H](C)O2 ZINC001071173968 789574439 /nfs/dbraw/zinc/57/44/39/789574439.db2.gz QRHTWBPPEDYOFT-CJNGLKHVSA-N 0 3 321.446 2.025 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)(C)CC)C[C@H](C)O2 ZINC001071204965 789590252 /nfs/dbraw/zinc/59/02/52/789590252.db2.gz VRAJIBNRLLXGJA-YJBOKZPZSA-N 0 3 306.450 2.138 20 30 DEEDHN CC[C@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001136086905 789621054 /nfs/dbraw/zinc/62/10/54/789621054.db2.gz FROWNHFJVBGOML-CRAIPNDOSA-N 0 3 315.417 2.209 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)[C@H](O)C1 ZINC001090528078 789647553 /nfs/dbraw/zinc/64/75/53/789647553.db2.gz GVUIRAKYJYWKSX-QZTJIDSGSA-N 0 3 316.445 2.380 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071358032 789679624 /nfs/dbraw/zinc/67/96/24/789679624.db2.gz YEYBWXKMRCWEGI-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071390530 789701260 /nfs/dbraw/zinc/70/12/60/789701260.db2.gz BSRDFQYQHFFNEG-GWCFXTLKSA-N 0 3 310.829 2.362 20 30 DEEDHN CC(C)=CCN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[C@H]1C ZINC001071413194 789712393 /nfs/dbraw/zinc/71/23/93/789712393.db2.gz DBWUCMRIWMZFNJ-HIFRSBDPSA-N 0 3 300.406 2.435 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)CC[C@H]1C ZINC001071510471 789749357 /nfs/dbraw/zinc/74/93/57/789749357.db2.gz CGDVOGREDJKJNX-CABCVRRESA-N 0 3 316.449 2.214 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C3CCC3)c2)CC[C@@H]1C ZINC001071512452 789751855 /nfs/dbraw/zinc/75/18/55/789751855.db2.gz YCVVPAZUQAFLGX-GOEBONIOSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2C(C)C)CC[C@H]1C ZINC001071537483 789766522 /nfs/dbraw/zinc/76/65/22/789766522.db2.gz ZXQOIHKFAQKDGY-CABCVRRESA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)CC[C@@H]1C ZINC001071606037 789809055 /nfs/dbraw/zinc/80/90/55/789809055.db2.gz FJOWRHKUEAHDJS-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccn3nccc23)CC[C@@H]1C ZINC001071645640 789838737 /nfs/dbraw/zinc/83/87/37/789838737.db2.gz LJJBZRBDCUOMNB-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cncc3[nH]ccc32)CC[C@@H]1C ZINC001071647435 789840221 /nfs/dbraw/zinc/84/02/21/789840221.db2.gz GYHLVGGUZQZHQC-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn3ccc(C)cc3n2)CC[C@H]1C ZINC001071656477 789845343 /nfs/dbraw/zinc/84/53/43/789845343.db2.gz 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C[C@@H](C(=O)NCCNCc1ccc(C#N)s1)c1cccnc1 ZINC001148242458 791724368 /nfs/dbraw/zinc/72/43/68/791724368.db2.gz HUTQBVLBKAXGRO-GFCCVEGCSA-N 0 3 314.414 2.024 20 30 DEEDHN CO[C@@H](C(=O)NCCNCc1cccc(C#N)c1)c1ccccc1 ZINC001148456328 791749527 /nfs/dbraw/zinc/74/95/27/791749527.db2.gz QSDUEJPEWZJIQK-GOSISDBHSA-N 0 3 323.396 2.152 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4c(o3)CCCC4)C[C@]2(C)C1 ZINC001091730474 791770746 /nfs/dbraw/zinc/77/07/46/791770746.db2.gz WPWMUWLXYBTKCM-BEFAXECRSA-N 0 3 312.413 2.186 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@]2(C)C1 ZINC001091739600 791784173 /nfs/dbraw/zinc/78/41/73/791784173.db2.gz WQCDGJSPFXOHEL-KDOFPFPSSA-N 0 3 318.367 2.382 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)NCC(C)C ZINC001148722059 791793026 /nfs/dbraw/zinc/79/30/26/791793026.db2.gz XRFIRZRHNIBFFW-UHFFFAOYSA-N 0 3 313.486 2.215 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3=COCCC3)C2)CC1 ZINC001086909481 791846981 /nfs/dbraw/zinc/84/69/81/791846981.db2.gz WQPNIMLHJLXRQR-HNNXBMFYSA-N 0 3 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C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cncnc1 ZINC001099033632 792049771 /nfs/dbraw/zinc/04/97/71/792049771.db2.gz IFFZOMOCYUECFT-INIZCTEOSA-N 0 3 316.449 2.202 20 30 DEEDHN CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)C ZINC001099064438 792071395 /nfs/dbraw/zinc/07/13/95/792071395.db2.gz CSDODDGGIYIDPO-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc3cc(C)cn3c2)[C@H](C)C1 ZINC001092666419 792106129 /nfs/dbraw/zinc/10/61/29/792106129.db2.gz IRGKNQOWQWFNFW-NVXWUHKLSA-N 0 3 309.413 2.179 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccccc2OCC=C)[C@H](C)C1 ZINC001092740138 792121847 /nfs/dbraw/zinc/12/18/47/792121847.db2.gz JIBXORHTYGGOLE-HZPDHXFCSA-N 0 3 312.413 2.182 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099323769 792171647 /nfs/dbraw/zinc/17/16/47/792171647.db2.gz ASVKUDJIZNPUEF-CQSZACIVSA-N 0 3 304.438 2.053 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(F)c(F)c2F)[C@H](C)C1 ZINC001092924018 792177612 /nfs/dbraw/zinc/17/76/12/792177612.db2.gz 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/nfs/dbraw/zinc/42/60/60/792426060.db2.gz IBRPUNGICBPWKW-SJORKVTESA-N 0 3 302.418 2.094 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CC2(C=C)CCCCC2)[C@@H](O)C1 ZINC001100035085 792451987 /nfs/dbraw/zinc/45/19/87/792451987.db2.gz XIYRUGXOHUVVCM-IRXDYDNUSA-N 0 3 318.461 2.088 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)CCCCC)[C@H](O)C1 ZINC001100119177 792477741 /nfs/dbraw/zinc/47/77/41/792477741.db2.gz FUZDAEMHFJCTOU-HZPDHXFCSA-N 0 3 308.466 2.168 20 30 DEEDHN O=C(/C=C\C1CC1)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100219159 792524657 /nfs/dbraw/zinc/52/46/57/792524657.db2.gz SAFBFOGDBOIEFS-KHPPLWFESA-N 0 3 308.425 2.489 20 30 DEEDHN O=C(C#CC1CC1)NCC1CC(NCc2cnc(Cl)s2)C1 ZINC001100314003 792585050 /nfs/dbraw/zinc/58/50/50/792585050.db2.gz YLOUGXVFKSNCRC-UHFFFAOYSA-N 0 3 323.849 2.194 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(NCc2cccnc2OC)C1 ZINC001100371223 792616988 /nfs/dbraw/zinc/61/69/88/792616988.db2.gz WJYLPUPAGFTYBD-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(NCc2n[nH]c(C3CC3)n2)C1 ZINC001100372454 792617632 /nfs/dbraw/zinc/61/76/32/792617632.db2.gz FSDOUERRFFARMZ-UHFFFAOYSA-N 0 3 317.437 2.023 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2n[nH]c(C(C)C)n2)C1 ZINC001100564712 792723626 /nfs/dbraw/zinc/72/36/26/792723626.db2.gz UBSBPOOBSLXKKR-UHFFFAOYSA-N 0 3 319.453 2.125 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ncc(Cl)s3)CCC[C@@H]12 ZINC001094468435 792922391 /nfs/dbraw/zinc/92/23/91/792922391.db2.gz OWLMFYMDIBJZLT-IAQYHMDHSA-N 0 3 323.849 2.404 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3c[nH]nc3C(C)C)CCC[C@@H]12 ZINC001094457277 792932018 /nfs/dbraw/zinc/93/20/18/792932018.db2.gz AGZJVVOHTMZSJE-CRAIPNDOSA-N 0 3 314.433 2.141 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001100992584 792958793 /nfs/dbraw/zinc/95/87/93/792958793.db2.gz BTNRPOCIHYRZHZ-IYXRBSQSSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cncc(Cl)c3)CCC[C@@H]12 ZINC001094534960 792968833 /nfs/dbraw/zinc/96/88/33/792968833.db2.gz UCRJQMMMFKEUOG-NVXWUHKLSA-N 0 3 317.820 2.343 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(F)s3)CCC[C@@H]12 ZINC001094587946 793001959 /nfs/dbraw/zinc/00/19/59/793001959.db2.gz WMWYSUSZDOGUBA-CZUORRHYSA-N 0 3 306.406 2.495 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)C(=O)N[O-] ZINC001171474277 793106567 /nfs/dbraw/zinc/10/65/67/793106567.db2.gz UQLNOTHLHLBYNF-FMSQNYNMSA-N 0 3 312.360 2.332 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101337532 793125215 /nfs/dbraw/zinc/12/52/15/793125215.db2.gz CIQAXLOJGREVGD-SCTDSRPQSA-N 0 3 318.461 2.019 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(OC)c1OC ZINC001171932743 793266153 /nfs/dbraw/zinc/26/61/53/793266153.db2.gz INQXUCFQWVDYAS-UHFFFAOYSA-N 0 3 312.797 2.166 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C2CCCCCC2)[C@H](C)C1 ZINC001101797202 793379836 /nfs/dbraw/zinc/37/98/36/793379836.db2.gz XQQUURRUMJPQSI-SJLPKXTDSA-N 0 3 320.477 2.291 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2ccccc2F)C[C@H]1C ZINC001101822324 793395057 /nfs/dbraw/zinc/39/50/57/793395057.db2.gz LYWRHJFOYPFYPF-UMVBOHGHSA-N 0 3 303.381 2.169 20 30 DEEDHN COC1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172981351 793550059 /nfs/dbraw/zinc/55/00/59/793550059.db2.gz VDVRHGYQWUYMJZ-KGLIPLIRSA-N 0 3 323.437 2.389 20 30 DEEDHN C=CCOC1CCC(N2CC(N3CCOC(C)(C)C3)C2)CC1 ZINC001173326943 793678854 /nfs/dbraw/zinc/67/88/54/793678854.db2.gz WNIFFESJJMXZRM-UHFFFAOYSA-N 0 3 308.466 2.295 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](OC)C(C)C)C1 ZINC001103400452 794072985 /nfs/dbraw/zinc/07/29/85/794072985.db2.gz HWHJMBFPFHZQCG-BPLDGKMQSA-N 0 3 316.873 2.484 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174799441 794078441 /nfs/dbraw/zinc/07/84/41/794078441.db2.gz VXFKBABQSUNWNA-AWEZNQCLSA-N 0 3 319.453 2.071 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)O)CCCCC1 ZINC001110178198 794113713 /nfs/dbraw/zinc/11/37/13/794113713.db2.gz WAVFKTSWMWGFAX-YVSFHVDLSA-N 0 3 318.461 2.063 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1ccc(CC)cc1 ZINC001175210019 794158432 /nfs/dbraw/zinc/15/84/32/794158432.db2.gz WGJKLWYDLBFHID-UHFFFAOYSA-N 0 3 310.825 2.476 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2ccnc2C)C1 ZINC001103723404 794202012 /nfs/dbraw/zinc/20/20/12/794202012.db2.gz INNYXOJIBLWVMC-IUODEOHRSA-N 0 3 324.856 2.018 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccnc(C)n2)C1 ZINC001103730246 794206113 /nfs/dbraw/zinc/20/61/13/794206113.db2.gz HTQLRMRKODNBMN-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cscn1)C2 ZINC001110187161 794222119 /nfs/dbraw/zinc/22/21/19/794222119.db2.gz SPBVLDMCGPERRG-ILXRZTDVSA-N 0 3 305.447 2.373 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnoc2C)C1 ZINC001104126680 794389855 /nfs/dbraw/zinc/38/98/55/794389855.db2.gz WLKGZDXIEZBSTG-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C#N)C1 ZINC001111666853 794451482 /nfs/dbraw/zinc/45/14/82/794451482.db2.gz NNNLZZBPQVPQCP-VKJFTORMSA-N 0 3 312.417 2.020 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cocc2C)C1 ZINC001111832875 794492498 /nfs/dbraw/zinc/49/24/98/794492498.db2.gz HTVHQKABULXEJO-YJBOKZPZSA-N 0 3 318.417 2.375 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1C(F)(F)F ZINC001112142946 794564075 /nfs/dbraw/zinc/56/40/75/794564075.db2.gz AKOPWOCJTXZXSJ-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1C(F)(F)F ZINC001112148374 794565549 /nfs/dbraw/zinc/56/55/49/794565549.db2.gz LJGISOOMNLSLKW-JHJVBQTASA-N 0 3 316.367 2.425 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1C(F)(F)F ZINC001112171524 794567819 /nfs/dbraw/zinc/56/78/19/794567819.db2.gz MZTJAUOWEMIMCC-JHJVBQTASA-N 0 3 314.351 2.179 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ccn(C)n2)C1 ZINC001112281933 794586470 /nfs/dbraw/zinc/58/64/70/794586470.db2.gz AZKJBMFSPSIKTE-YJBOKZPZSA-N 0 3 316.449 2.105 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1ccc(F)c(F)c1 ZINC001177464009 794671444 /nfs/dbraw/zinc/67/14/44/794671444.db2.gz QIFNQWBQOWDPAQ-UHFFFAOYSA-N 0 3 318.751 2.192 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc2nsnc21 ZINC001177633321 794716595 /nfs/dbraw/zinc/71/65/95/794716595.db2.gz ZYDYIADEBLBMKJ-UHFFFAOYSA-N 0 3 324.837 2.082 20 30 DEEDHN COCCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001177696942 794731196 /nfs/dbraw/zinc/73/11/96/794731196.db2.gz SQNCOFDKPMQQKW-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN Cn1nc2c(c1NC(=O)C(C#N)Cc1cccs1)CCC2 ZINC001177904063 794772396 /nfs/dbraw/zinc/77/23/96/794772396.db2.gz MREJICRJLUGZJL-SNVBAGLBSA-N 0 3 300.387 2.291 20 30 DEEDHN Cc1ncc(CNCCCCCCNC(=O)CSCC#N)o1 ZINC001177906652 794773627 /nfs/dbraw/zinc/77/36/27/794773627.db2.gz CNUZQJDWIILSRP-UHFFFAOYSA-N 0 3 324.450 2.006 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001178336011 794890988 /nfs/dbraw/zinc/89/09/88/794890988.db2.gz PEQJFEDCCOXCFT-BBRMVZONSA-N 0 3 306.381 2.107 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ncccn2)CCCCC1 ZINC001115782998 794918851 /nfs/dbraw/zinc/91/88/51/794918851.db2.gz AMHJKWXJZJRSLS-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@H](C)C(=O)NCCC)[C@@H]1C ZINC001178791470 794995530 /nfs/dbraw/zinc/99/55/30/794995530.db2.gz CHSOJXFYSPWLBK-ILXRZTDVSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(CC)CC)[C@@H]1C ZINC001178806039 795000743 /nfs/dbraw/zinc/00/07/43/795000743.db2.gz SEDVFPFPIKLWPK-JYJNAYRXSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001179384646 795110728 /nfs/dbraw/zinc/11/07/28/795110728.db2.gz SMOJBXSLCVLQEJ-LZWOXQAQSA-N 0 3 304.438 2.101 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001119729572 795346431 /nfs/dbraw/zinc/34/64/31/795346431.db2.gz RCGXFPLQNYJDNH-RDJZCZTQSA-N 0 3 316.401 2.185 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CCF)C1 ZINC001120469915 795467542 /nfs/dbraw/zinc/46/75/42/795467542.db2.gz NPDUZOZNDQEQEV-CVEARBPZSA-N 0 3 312.429 2.252 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001181469812 795477404 /nfs/dbraw/zinc/47/74/04/795477404.db2.gz SKHIAHKYILLKNN-WMLDXEAASA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)CCC(C)C)C1 ZINC001181543089 795490596 /nfs/dbraw/zinc/49/05/96/795490596.db2.gz LAZUTQGJZZWRSZ-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1ccc(OC[C@@H](O)CNCC#C[C@H]2CCCCO2)c(C)c1 ZINC001120610810 795497686 /nfs/dbraw/zinc/49/76/86/795497686.db2.gz PSZKTTKBLIINBE-ZWKOTPCHSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001181644299 795505563 /nfs/dbraw/zinc/50/55/63/795505563.db2.gz MGHLVINONOUGPG-OAHLLOKOSA-N 0 3 314.385 2.326 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)COCCC)C2 ZINC001120769627 795527304 /nfs/dbraw/zinc/52/73/04/795527304.db2.gz FAAZSJSJWXIFNZ-UHFFFAOYSA-N 0 3 300.830 2.183 20 30 DEEDHN CCN1CCCC[C@H]1C(=O)NCCCOc1ccccc1C#N ZINC001182000508 795579863 /nfs/dbraw/zinc/57/98/63/795579863.db2.gz MGIQDDBCKUFDRN-INIZCTEOSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCCCC(=O)NC1CC2(CC(NCc3cnns3)C2)C1 ZINC001121674350 795671685 /nfs/dbraw/zinc/67/16/85/795671685.db2.gz FOQFJQPFHPRYPV-UHFFFAOYSA-N 0 3 320.462 2.411 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCn1c(C)nc2ccccc21 ZINC001121902324 795702515 /nfs/dbraw/zinc/70/25/15/795702515.db2.gz WJDZNBHMDONNSA-AWEZNQCLSA-N 0 3 300.406 2.145 20 30 DEEDHN C=CCn1ncc2ccc(NC(=O)[C@@H](N)CCSC)cc21 ZINC001122228166 795737608 /nfs/dbraw/zinc/73/76/08/795737608.db2.gz WIOMGGCEKIHTSJ-ZDUSSCGKSA-N 0 3 304.419 2.241 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001182727087 795743279 /nfs/dbraw/zinc/74/32/79/795743279.db2.gz KRELNXWPHGOIKR-MRXNPFEDSA-N 0 3 300.402 2.139 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(Nc2ccccc2)CC1 ZINC001122512609 795769922 /nfs/dbraw/zinc/76/99/22/795769922.db2.gz KIPWXFLRRUEFHG-INIZCTEOSA-N 0 3 300.406 2.111 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(Nc2ccccc2)CC1 ZINC001122512610 795770217 /nfs/dbraw/zinc/77/02/17/795770217.db2.gz KIPWXFLRRUEFHG-MRXNPFEDSA-N 0 3 300.406 2.111 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1nnccc1C(F)(F)F ZINC001183039711 795793577 /nfs/dbraw/zinc/79/35/77/795793577.db2.gz YLMDXEYLDZXEKU-UHFFFAOYSA-N 0 3 300.284 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCOc2cc(C)cc(C)c2)C1 ZINC001183052477 795794866 /nfs/dbraw/zinc/79/48/66/795794866.db2.gz HFRSKDXKTKKKLX-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2[C@H]1O ZINC001183390767 795863420 /nfs/dbraw/zinc/86/34/20/795863420.db2.gz LEMZJGSPPFDMPJ-CGTJXYLNSA-N 0 3 314.429 2.049 20 30 DEEDHN C=C(CC)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC001123495541 795922093 /nfs/dbraw/zinc/92/20/93/795922093.db2.gz LZBMSHJLWXIMIB-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001184077015 795981096 /nfs/dbraw/zinc/98/10/96/795981096.db2.gz FWHJSVGLYAKGPT-ZBFHGGJFSA-N 0 3 318.465 2.269 20 30 DEEDHN Cc1ncoc1CNC[C@@H]1CCN(C(=O)C#CC(C)C)C[C@@H]1C ZINC001184371871 796056777 /nfs/dbraw/zinc/05/67/77/796056777.db2.gz POZPXJVBTYIEMF-HOCLYGCPSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCC(=O)NCCNCC(=O)N(CCCC)CCCC ZINC001124646282 796079015 /nfs/dbraw/zinc/07/90/15/796079015.db2.gz MAUZAAHSKNTINH-UHFFFAOYSA-N 0 3 311.470 2.087 20 30 DEEDHN C=CCCC(=O)NCCN[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC001124646038 796080067 /nfs/dbraw/zinc/08/00/67/796080067.db2.gz FJUZJLDKTABKEQ-HNNXBMFYSA-N 0 3 321.465 2.054 20 30 DEEDHN C#CCOc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1OC ZINC001138345353 796201429 /nfs/dbraw/zinc/20/14/29/796201429.db2.gz DEDXZNXTJUJUNK-QGZVFWFLSA-N 0 3 314.429 2.377 20 30 DEEDHN C#CCOc1ccc(CN2C[C@@H](OCC)[C@H]3OCCC[C@H]32)cc1 ZINC001138559003 796234529 /nfs/dbraw/zinc/23/45/29/796234529.db2.gz CHPFCBZZIVQOAV-QRVBRYPASA-N 0 3 315.413 2.467 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1[O-] ZINC001138625191 796245727 /nfs/dbraw/zinc/24/57/27/796245727.db2.gz GYFXBORNULVYEA-INIZCTEOSA-N 0 3 303.402 2.237 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](n2cc(CNCCCC)nn2)C1 ZINC001185908200 796332413 /nfs/dbraw/zinc/33/24/13/796332413.db2.gz UNNNCRYNSVARJQ-INIZCTEOSA-N 0 3 319.453 2.298 20 30 DEEDHN N#Cc1ccc(Oc2ccc(CN3CC[C@@H](C(N)=O)C3)cn2)cc1 ZINC001139425801 796374789 /nfs/dbraw/zinc/37/47/89/796374789.db2.gz WLOHXUBQZBEQMD-OAHLLOKOSA-N 0 3 322.368 2.053 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC001186435241 796405365 /nfs/dbraw/zinc/40/53/65/796405365.db2.gz HSULMWIFFFRPMH-OAHLLOKOSA-N 0 3 320.820 2.102 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc(F)c2OCC)C1 ZINC001186583603 796419006 /nfs/dbraw/zinc/41/90/06/796419006.db2.gz HECSPSBTIQPYIW-CYBMUJFWSA-N 0 3 304.365 2.052 20 30 DEEDHN COC(=O)COc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001139777041 796426365 /nfs/dbraw/zinc/42/63/65/796426365.db2.gz BKZPWMQWQARDIX-CQSZACIVSA-N 0 3 302.374 2.364 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001139865626 796438481 /nfs/dbraw/zinc/43/84/81/796438481.db2.gz NAYWNUIYASHFMW-OAHLLOKOSA-N 0 3 315.417 2.292 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cccc(F)n3)C2)C1=O ZINC001140131142 796481976 /nfs/dbraw/zinc/48/19/76/796481976.db2.gz OUBFWGHXSKHZGJ-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001187413020 796532498 /nfs/dbraw/zinc/53/24/98/796532498.db2.gz IFSRRAFDJLNENO-VQIMIIECSA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001187713888 796566994 /nfs/dbraw/zinc/56/69/94/796566994.db2.gz ISEIYFKYMLMYFB-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCc3csc(C)n3)[C@@H]2C1 ZINC001187930495 796604488 /nfs/dbraw/zinc/60/44/88/796604488.db2.gz UOGVDWLIBZGPJS-GOEBONIOSA-N 0 3 319.474 2.493 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001188236918 796642049 /nfs/dbraw/zinc/64/20/49/796642049.db2.gz WXAYCMWRUVWNLS-UPTPFMHGSA-N 0 3 306.450 2.043 20 30 DEEDHN N#Cc1cc(Br)ccc1CN1CCN2CC[C@@H]2C1 ZINC001141818525 796692613 /nfs/dbraw/zinc/69/26/13/796692613.db2.gz HFINCENFXPEUII-CQSZACIVSA-N 0 3 306.207 2.211 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC001188653718 796697075 /nfs/dbraw/zinc/69/70/75/796697075.db2.gz WMWNCRKFWYWAOK-LQYUOIDQSA-N 0 3 304.390 2.028 20 30 DEEDHN O=C(/C=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCN(C2CC2)C1 ZINC001142005288 796706205 /nfs/dbraw/zinc/70/62/05/796706205.db2.gz YSMSQOJTZMCBDB-LEPFTWFBSA-N 0 3 316.376 2.009 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(CCc2cccs2)CCCO1 ZINC001149362537 796845750 /nfs/dbraw/zinc/84/57/50/796845750.db2.gz SBYSANMYHUYVSL-OAHLLOKOSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001110419159 796887917 /nfs/dbraw/zinc/88/79/17/796887917.db2.gz CGOZXVOKVGYCGZ-ZXXIGWHRSA-N 0 3 318.461 2.347 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001149772858 796893785 /nfs/dbraw/zinc/89/37/85/796893785.db2.gz SHCAQDMUUZYXQY-CYBMUJFWSA-N 0 3 320.836 2.332 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001150436939 796942706 /nfs/dbraw/zinc/94/27/06/796942706.db2.gz YYEYANTULWJNGK-NVXWUHKLSA-N 0 3 320.433 2.241 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001150561473 796953950 /nfs/dbraw/zinc/95/39/50/796953950.db2.gz BJSQQFWMTRUVDP-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001150596361 796958441 /nfs/dbraw/zinc/95/84/41/796958441.db2.gz LDUKEUWEBRLCBM-HOTGVXAUSA-N 0 3 318.417 2.004 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2csc(C)n2)C1 ZINC001190195092 796961311 /nfs/dbraw/zinc/96/13/11/796961311.db2.gz AISKTADQZMIRIG-OAHLLOKOSA-N 0 3 307.463 2.493 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C#CC(C)C)CC1 ZINC001151114816 797012666 /nfs/dbraw/zinc/01/26/66/797012666.db2.gz KDLWTXRKBVTJNN-UHFFFAOYSA-N 0 3 306.450 2.209 20 30 DEEDHN CCOCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)c(F)c1 ZINC001151676764 797082180 /nfs/dbraw/zinc/08/21/80/797082180.db2.gz ZQTKLMYJBCTLGU-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H]1CCCO1 ZINC001151748312 797089689 /nfs/dbraw/zinc/08/96/89/797089689.db2.gz ITDGEOXWCUOLDM-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001190870927 797099101 /nfs/dbraw/zinc/09/91/01/797099101.db2.gz XFAJJVDZVYXJGA-IRXDYDNUSA-N 0 3 306.450 2.468 20 30 DEEDHN CC#CCN(C)[C@H]1CCN(C(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001191144469 797153368 /nfs/dbraw/zinc/15/33/68/797153368.db2.gz NCNROIWMZRISRG-LBPRGKRZSA-N 0 3 320.824 2.110 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCCc2ccccc2)C[C@H]1O ZINC001191724474 797248622 /nfs/dbraw/zinc/24/86/22/797248622.db2.gz GYKJBULPUKISTF-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001191902005 797284270 /nfs/dbraw/zinc/28/42/70/797284270.db2.gz LPDYESYJRDECCW-CVEARBPZSA-N 0 3 304.438 2.018 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CC1(C)CCCC1 ZINC001153134208 797290681 /nfs/dbraw/zinc/29/06/81/797290681.db2.gz YUBFWCFMFVGJHN-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001191995374 797296397 /nfs/dbraw/zinc/29/63/97/797296397.db2.gz JZKBJXASPXIESA-IAGOWNOFSA-N 0 3 319.449 2.135 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](OCC)C1=CCCC1 ZINC001153355119 797327433 /nfs/dbraw/zinc/32/74/33/797327433.db2.gz VYNNGFXQPPOQNP-NVXWUHKLSA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ncn2cc(Cl)ccc12 ZINC001153452249 797340735 /nfs/dbraw/zinc/34/07/35/797340735.db2.gz NPWJMLHYYAXMPU-GFCCVEGCSA-N 0 3 318.808 2.061 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(c2ccc(F)cc2)CC1 ZINC001153727451 797382057 /nfs/dbraw/zinc/38/20/57/797382057.db2.gz AWZXVZLJWGZMJA-CQSZACIVSA-N 0 3 302.393 2.317 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@](C)(OC)c1ccccc1F ZINC001153769106 797390840 /nfs/dbraw/zinc/39/08/40/797390840.db2.gz OIVIOFPACWBODO-KDOFPFPSSA-N 0 3 320.408 2.147 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001153802653 797399095 /nfs/dbraw/zinc/39/90/95/797399095.db2.gz LOTSALHJPAQGRT-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N[C@@H](C)CCC)CCCC1 ZINC001153809467 797399808 /nfs/dbraw/zinc/39/98/08/797399808.db2.gz OBSOMZQOORWJHO-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001192600330 797418793 /nfs/dbraw/zinc/41/87/93/797418793.db2.gz YOHVXWMGJCQHHJ-IAGOWNOFSA-N 0 3 321.465 2.322 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152046882 797428596 /nfs/dbraw/zinc/42/85/96/797428596.db2.gz DEUXLODXTDDFRT-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001192777896 797444512 /nfs/dbraw/zinc/44/45/12/797444512.db2.gz HVJAIBSADAIVFR-YESZJQIVSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001192777893 797444551 /nfs/dbraw/zinc/44/45/51/797444551.db2.gz HVJAIBSADAIVFR-IXDOHACOSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cc(C)ccc1OC ZINC001154205838 797483940 /nfs/dbraw/zinc/48/39/40/797483940.db2.gz VKXBYFIAUXRRIH-OAHLLOKOSA-N 0 3 302.418 2.006 20 30 DEEDHN CSCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001154443202 797536565 /nfs/dbraw/zinc/53/65/65/797536565.db2.gz IOTSHOJFDDULCA-UHFFFAOYSA-N 0 3 309.410 2.046 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCCCCC)C[C@H]1O ZINC001193780451 797620301 /nfs/dbraw/zinc/62/03/01/797620301.db2.gz AUUCUHVTKHBFQB-NVXWUHKLSA-N 0 3 319.449 2.029 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2cccc(C)c2)C1 ZINC001193992079 797666397 /nfs/dbraw/zinc/66/63/97/797666397.db2.gz HYRQYSYMAYMDRI-INIZCTEOSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1OC ZINC001194349296 797711692 /nfs/dbraw/zinc/71/16/92/797711692.db2.gz HQWFENQAIYRGQV-HOTGVXAUSA-N 0 3 304.390 2.188 20 30 DEEDHN CCO[C@H](CC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155336988 797736906 /nfs/dbraw/zinc/73/69/06/797736906.db2.gz YPRVSKAFVAQYRJ-MRXNPFEDSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2c(C)cccc2F)C1 ZINC001194494786 797737080 /nfs/dbraw/zinc/73/70/80/797737080.db2.gz ZZWXJHAPHJFHPK-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(Cl)c(C)[nH]c1=O ZINC001194709923 797767504 /nfs/dbraw/zinc/76/75/04/797767504.db2.gz FIVGHRVHOBWRJC-NSHDSACASA-N 0 3 309.797 2.129 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 ZINC001194809322 797780355 /nfs/dbraw/zinc/78/03/55/797780355.db2.gz UWFODZDRIIUPSE-MGPQQGTHSA-N 0 3 320.424 2.409 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)N(CC)c1ccccc1 ZINC001155594038 797798660 /nfs/dbraw/zinc/79/86/60/797798660.db2.gz XFCOVTTXGFMFRQ-UHFFFAOYSA-N 0 3 317.433 2.102 20 30 DEEDHN CCCCOCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155987501 797898280 /nfs/dbraw/zinc/89/82/80/797898280.db2.gz PYLGOZOWZRJPCR-UHFFFAOYSA-N 0 3 321.396 2.110 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001195442958 797900050 /nfs/dbraw/zinc/90/00/50/797900050.db2.gz CIQSHCMCHBVKHK-BZUAXINKSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCCCCC(=O)N1CCCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC001195555957 797918492 /nfs/dbraw/zinc/91/84/92/797918492.db2.gz OTEQISNIQPEESG-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN N#Cc1cc(C(=O)N2CCCN(CCCCCF)CC2)c[nH]1 ZINC001195535665 797922174 /nfs/dbraw/zinc/92/21/74/797922174.db2.gz OVINKPXPSPWEMR-UHFFFAOYSA-N 0 3 306.385 2.174 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(F)cc1F ZINC001156125604 797929793 /nfs/dbraw/zinc/92/97/93/797929793.db2.gz IDSARHFWKZIOAN-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCCN(CCCF)CC1)OCC ZINC001196025663 797996821 /nfs/dbraw/zinc/99/68/21/797996821.db2.gz SFUWAWRELVSWIC-HNNXBMFYSA-N 0 3 300.418 2.252 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=O)c3cc4cc(C#N)ccc4[nH]3)C[C@@H]21 ZINC001156456937 798004707 /nfs/dbraw/zinc/00/47/07/798004707.db2.gz LOYDJRAJCILSDP-DYVFJYSZSA-N 0 3 308.385 2.206 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001196160212 798015321 /nfs/dbraw/zinc/01/53/21/798015321.db2.gz DVGOVXZFPOIXJK-HZPDHXFCSA-N 0 3 317.433 2.023 20 30 DEEDHN CN1CC2(C1)CCN(C(=S)Nc1ccccc1C#N)CC2 ZINC001196311567 798033740 /nfs/dbraw/zinc/03/37/40/798033740.db2.gz IHJLJZAEEQIUDV-UHFFFAOYSA-N 0 3 300.431 2.283 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccccc1CC ZINC001156720882 798069603 /nfs/dbraw/zinc/06/96/03/798069603.db2.gz ABGQNAYUESAKCM-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN CN1CCN(c2cccc(NCc3ccccc3C#N)n2)CC1 ZINC001156786856 798082017 /nfs/dbraw/zinc/08/20/17/798082017.db2.gz OZBCSLKOWURLBH-UHFFFAOYSA-N 0 3 307.401 2.317 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001157158768 798152524 /nfs/dbraw/zinc/15/25/24/798152524.db2.gz NBCBIYNCQZFNHN-AQEOSJORSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1[nH]c2ccccc2c1OC ZINC001157184481 798158034 /nfs/dbraw/zinc/15/80/34/798158034.db2.gz YJTOWDHHHRBZQH-CYBMUJFWSA-N 0 3 313.401 2.250 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001197961099 798263070 /nfs/dbraw/zinc/26/30/70/798263070.db2.gz SCRBDIPJQSXPOS-QBPKDAKJSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCCN(C[C@H](C)O)CC1)c1ccccc1 ZINC001198205206 798293864 /nfs/dbraw/zinc/29/38/64/798293864.db2.gz PGENCRPVFDYUSJ-IRXDYDNUSA-N 0 3 316.445 2.261 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001198255023 798305134 /nfs/dbraw/zinc/30/51/34/798305134.db2.gz JZUAAVHHHDDIOC-VXGBXAGGSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCOCCCCC(=O)NCCCNCc1cnc(C)o1 ZINC001157932512 798308501 /nfs/dbraw/zinc/30/85/01/798308501.db2.gz QETZMIDSCQUPNM-UHFFFAOYSA-N 0 3 323.437 2.342 20 30 DEEDHN C=CCCOCC(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001198330275 798317387 /nfs/dbraw/zinc/31/73/87/798317387.db2.gz IOWXOBAJEABWSQ-UHFFFAOYSA-N 0 3 316.392 2.159 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1 ZINC001198351191 798326965 /nfs/dbraw/zinc/32/69/65/798326965.db2.gz MEUPISUGSGFHLG-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001110511688 798349925 /nfs/dbraw/zinc/34/99/25/798349925.db2.gz PBGWSZRYQHLIMM-OAGGEKHMSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCCN[C@H](CNC(=O)COCC)c1ccccc1OC ZINC001198509165 798351163 /nfs/dbraw/zinc/35/11/63/798351163.db2.gz SWHNYDDGYDKDSD-OAHLLOKOSA-N 0 3 306.406 2.055 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC001158195104 798358150 /nfs/dbraw/zinc/35/81/50/798358150.db2.gz QQLAKJXCETZTMI-AEFFLSMTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](NCC(C)C)c1ccccc1OC ZINC001198606036 798365989 /nfs/dbraw/zinc/36/59/89/798365989.db2.gz OKPQVZPKNZRXFR-MRXNPFEDSA-N 0 3 320.433 2.301 20 30 DEEDHN CCCCN[C@@H](CNC(=O)[C@H](C)C#N)c1ccccc1OC ZINC001198615766 798367257 /nfs/dbraw/zinc/36/72/57/798367257.db2.gz BDMWHKKMAGZQQV-HIFRSBDPSA-N 0 3 303.406 2.402 20 30 DEEDHN CCCCN[C@H](CNC(=O)[C@@H](C)C#N)c1ccccc1OC ZINC001198615764 798367332 /nfs/dbraw/zinc/36/73/32/798367332.db2.gz BDMWHKKMAGZQQV-DZGCQCFKSA-N 0 3 303.406 2.402 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198693799 798377606 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318.465 2.207 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205988501 800454679 /nfs/dbraw/zinc/45/46/79/800454679.db2.gz GGEMNQMAMCWBDB-CYBMUJFWSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C(CN1CCCC1)c1nc(-c2nccc(OC)c2F)no1 ZINC001206100239 800473465 /nfs/dbraw/zinc/47/34/65/800473465.db2.gz KMJCYTALXCTIKS-UHFFFAOYSA-N 0 3 304.325 2.388 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(F)c2OC)CC1 ZINC000934865138 800483656 /nfs/dbraw/zinc/48/36/56/800483656.db2.gz WEJFUDCQQBSGSE-UHFFFAOYSA-N 0 3 322.384 2.391 20 30 DEEDHN O=C(C1CC1)N1CCC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001206990748 800648505 /nfs/dbraw/zinc/64/85/05/800648505.db2.gz WSLQGPNSDQISQX-KRWDZBQOSA-N 0 3 300.377 2.168 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ncccc2F)CC1 ZINC001207034996 800664280 /nfs/dbraw/zinc/66/42/80/800664280.db2.gz HDMPNYHTNONKKK-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN CSCCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207212966 800710925 /nfs/dbraw/zinc/71/09/25/800710925.db2.gz JWUIUHNELSJVSR-QGZVFWFLSA-N 0 3 316.470 2.372 20 30 DEEDHN N#CCSCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001207410988 800746041 /nfs/dbraw/zinc/74/60/41/800746041.db2.gz YMKUVGCLCKJRPJ-CQSZACIVSA-N 0 3 321.421 2.163 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCOC(C)C)C[C@H]2C)CCC1 ZINC001207522013 800770899 /nfs/dbraw/zinc/77/08/99/800770899.db2.gz RYFUQHSPGSERIC-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001207746698 800822380 /nfs/dbraw/zinc/82/23/80/800822380.db2.gz IXNQOPPIQVZNJR-LALPHHSUSA-N 0 3 305.422 2.408 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@H](NCc2ccns2)C1 ZINC001207863327 800851840 /nfs/dbraw/zinc/85/18/40/800851840.db2.gz LXTODIXIAFXKLV-AWEZNQCLSA-N 0 3 305.447 2.417 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1cccnc1)C2 ZINC001111196304 800869778 /nfs/dbraw/zinc/86/97/78/800869778.db2.gz WXLGHUWUQBRQSY-KURKYZTESA-N 0 3 311.429 2.149 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCCOC1)C2 ZINC001111201694 800871319 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CCOC(=O)[C@H]1CN(CCCc2ccc(C#N)cc2)CCS1 ZINC001208863776 801081074 /nfs/dbraw/zinc/08/10/74/801081074.db2.gz FAIQOHUKLRBHCQ-MRXNPFEDSA-N 0 3 318.442 2.471 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001209047346 801119931 /nfs/dbraw/zinc/11/99/31/801119931.db2.gz UMNUHRPSFIZJQC-OIISXLGYSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCCCN1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001209161753 801140341 /nfs/dbraw/zinc/14/03/41/801140341.db2.gz CXISXJFSIFPURM-UHFFFAOYSA-N 0 3 301.438 2.165 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001209182719 801143572 /nfs/dbraw/zinc/14/35/72/801143572.db2.gz HTISGYGGKPXKCM-GOEBONIOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001209185277 801144704 /nfs/dbraw/zinc/14/47/04/801144704.db2.gz VRGFIZQASDJCNS-PBHICJAKSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCCCN1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001209263505 801162441 /nfs/dbraw/zinc/16/24/41/801162441.db2.gz NIMSAVCCNVCGTR-RCCFBDPRSA-N 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FYDXZTNMVFXUGN-YJBOKZPZSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001209866634 801298009 /nfs/dbraw/zinc/29/80/09/801298009.db2.gz STKFAYOFYVIKKT-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(CC)cc2)C1 ZINC001210762092 801459841 /nfs/dbraw/zinc/45/98/41/801459841.db2.gz POWPVBOZQHJLOR-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cn1cccn1 ZINC001230773553 801489019 /nfs/dbraw/zinc/48/90/19/801489019.db2.gz XWIDKSBFQMJZBV-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC001211410855 801562804 /nfs/dbraw/zinc/56/28/04/801562804.db2.gz MBXAZYYHSJZVBM-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@H](OC)C1 ZINC001213201772 801583315 /nfs/dbraw/zinc/58/33/15/801583315.db2.gz YQBZWAGOKLMXFP-HZPDHXFCSA-N 0 3 317.433 2.094 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001231168988 801597763 /nfs/dbraw/zinc/59/77/63/801597763.db2.gz CMCZXBWYYBLZCS-IAGOWNOFSA-N 0 3 308.466 2.427 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@H]1CCN1CCCc1ccccc1 ZINC001231170563 801598664 /nfs/dbraw/zinc/59/86/64/801598664.db2.gz QUOSPOGRWRTWGA-GOSISDBHSA-N 0 3 316.445 2.355 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CCC)C[C@H]1OC)c1ccccc1 ZINC001213899384 801652660 /nfs/dbraw/zinc/65/26/60/801652660.db2.gz ABZCHOKZAFYJIB-BRWVUGGUSA-N 0 3 302.418 2.182 20 30 DEEDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C#N)cc1OC)C2 ZINC001231619649 801697070 /nfs/dbraw/zinc/69/70/70/801697070.db2.gz GFCYXWVPLCUTEY-IMJJTQAJSA-N 0 3 314.385 2.340 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001214285753 801699324 /nfs/dbraw/zinc/69/93/24/801699324.db2.gz MMFWMYUWWMQXTG-UMVBOHGHSA-N 0 3 323.462 2.061 20 30 DEEDHN C#Cc1cccc(CN2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c1 ZINC001231657750 801704973 /nfs/dbraw/zinc/70/49/73/801704973.db2.gz SNTLRFQIQGWDQD-OKZBNKHCSA-N 0 3 323.396 2.191 20 30 DEEDHN O=C1C=C2CN(Cc3cn4cc(F)ccc4n3)CCC2S1 ZINC001232411378 801873050 /nfs/dbraw/zinc/87/30/50/801873050.db2.gz RLEWSGMUKIENPR-ZDUSSCGKSA-N 0 3 303.362 2.248 20 30 DEEDHN N#Cc1c(N)nn(-c2ccc(CN3CCCCC3)c(F)c2)c1N ZINC001215711489 801896206 /nfs/dbraw/zinc/89/62/06/801896206.db2.gz VGXIIQDXDJZKAS-UHFFFAOYSA-N 0 3 314.368 2.033 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2sncc2C)CC1 ZINC001233322336 802076011 /nfs/dbraw/zinc/07/60/11/802076011.db2.gz ATASKWDKMOEWAE-UHFFFAOYSA-N 0 3 320.506 2.243 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001217497526 802080612 /nfs/dbraw/zinc/08/06/12/802080612.db2.gz ALLNEZHBSVGSDM-AEGPPILISA-N 0 3 321.446 2.023 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]2CN(CC3CC4(CCC4)C3)C[C@@H]21 ZINC001217510771 802081759 /nfs/dbraw/zinc/08/17/59/802081759.db2.gz RSXXJWOZHPYFEL-DLBZAZTESA-N 0 3 318.461 2.445 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H]2CN(CCCC=C)C[C@@H]21 ZINC001218454562 802185266 /nfs/dbraw/zinc/18/52/66/802185266.db2.gz HJONGNNKWQEXGT-ZWKOTPCHSA-N 0 3 318.461 2.448 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218517086 802197057 /nfs/dbraw/zinc/19/70/57/802197057.db2.gz IVDBNBPQVBWZCB-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN CNc1ccc(C#N)cc1NC(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001218981966 802268779 /nfs/dbraw/zinc/26/87/79/802268779.db2.gz ZFVMIGBNEPJBKA-SFHVURJKSA-N 0 3 320.396 2.281 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCCOC(C)C)[C@H]2C1 ZINC001219071988 802280917 /nfs/dbraw/zinc/28/09/17/802280917.db2.gz OXAIUBCOWDLXSJ-DLBZAZTESA-N 0 3 324.465 2.069 20 30 DEEDHN CN(C[C@@H]1CCN1CCCC1CCOCC1)C(=O)C#CC1CC1 ZINC001234178698 802317734 /nfs/dbraw/zinc/31/77/34/802317734.db2.gz NLPWIGVLKNMEKO-SFHVURJKSA-N 0 3 318.461 2.139 20 30 DEEDHN CCO[C@@H](CN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C)C1CC1 ZINC001234216190 802328560 /nfs/dbraw/zinc/32/85/60/802328560.db2.gz UXKZKFFWASUSND-IRXDYDNUSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC/C=C/CC)C[C@@H]1O ZINC001219689759 802366183 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C=CCCCN1CC[C@@H]2CN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC001221254254 802543628 /nfs/dbraw/zinc/54/36/28/802543628.db2.gz LKIDYFQHNOLRAI-HUUCEWRRSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cnns3)[C@@H]2C1 ZINC001221307483 802553957 /nfs/dbraw/zinc/55/39/57/802553957.db2.gz VCMHAFAJJWOODB-JHJVBQTASA-N 0 3 306.435 2.039 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCC3CCOCC3)[C@@H]2C1 ZINC001221601495 802595743 /nfs/dbraw/zinc/59/57/43/802595743.db2.gz DCICVGQTFVJICW-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001221644434 802600346 /nfs/dbraw/zinc/60/03/46/802600346.db2.gz JHZBOBFUMGJEFZ-IXDOHACOSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001221860847 802622181 /nfs/dbraw/zinc/62/21/81/802622181.db2.gz BISXMPPFTGXDQT-XMTFNYHQSA-N 0 3 318.461 2.158 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001222020766 802634396 /nfs/dbraw/zinc/63/43/96/802634396.db2.gz NLNOCNSVSRXANO-QZTJIDSGSA-N 0 3 318.461 2.468 20 30 DEEDHN Cc1nsc(C)c1CN1CCC(CNC(=O)[C@H](C)C#N)CC1 ZINC001222641594 802720406 /nfs/dbraw/zinc/72/04/06/802720406.db2.gz PGIHWJKJCNUMON-LLVKDONJSA-N 0 3 320.462 2.248 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223034053 802760763 /nfs/dbraw/zinc/76/07/63/802760763.db2.gz OQVHJNFECJLGMG-QGZVFWFLSA-N 0 3 322.474 2.403 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223034052 802760815 /nfs/dbraw/zinc/76/08/15/802760815.db2.gz OQVHJNFECJLGMG-KRWDZBQOSA-N 0 3 322.474 2.403 20 30 DEEDHN C#CCOCCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223156939 802770472 /nfs/dbraw/zinc/77/04/72/802770472.db2.gz ZYRSVLVYISHHFM-UHFFFAOYSA-N 0 3 320.458 2.116 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CCN(CC#CC)[C@H]2C1 ZINC001223201015 802772560 /nfs/dbraw/zinc/77/25/60/802772560.db2.gz XAWSHNYYEXOZII-ZIFCJYIRSA-N 0 3 318.461 2.161 20 30 DEEDHN N#Cc1cncc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001224139936 802840106 /nfs/dbraw/zinc/84/01/06/802840106.db2.gz ZWXMPVCOGIEICV-QAQDUYKDSA-N 0 3 301.390 2.113 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCC2CCOCC2)CC1 ZINC001224746198 802900649 /nfs/dbraw/zinc/90/06/49/802900649.db2.gz NLIOWHUPEJWXDU-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@](C)(O)C1CC1 ZINC001225725614 803005334 /nfs/dbraw/zinc/00/53/34/803005334.db2.gz QPAAIHDEPMZVGB-IIAWOOMASA-N 0 3 314.857 2.307 20 30 DEEDHN C[N+](C)(C)C[C@@H](CC#N)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852450 803020655 /nfs/dbraw/zinc/02/06/55/803020655.db2.gz JXBPPLHOGIBXAG-MRVPVSSYSA-O 0 3 321.348 2.151 20 30 DEEDHN Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C#CC1CC1 ZINC001226111947 803055406 /nfs/dbraw/zinc/05/54/06/803055406.db2.gz RSXGZZMSNBNYNP-IAGOWNOFSA-N 0 3 315.417 2.222 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC001226640214 803135259 /nfs/dbraw/zinc/13/52/59/803135259.db2.gz KYQXMXWLRRHYOY-MNOVXSKESA-N 0 3 318.248 2.311 20 30 DEEDHN COc1cccc(CN2CCC(NC(=O)[C@H](C)C#N)CC2)c1C ZINC001226641334 803135931 /nfs/dbraw/zinc/13/59/31/803135931.db2.gz YPOUIJXCXWVQJM-CYBMUJFWSA-N 0 3 315.417 2.244 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(CC)o2)CC1 ZINC001228005100 803305426 /nfs/dbraw/zinc/30/54/26/803305426.db2.gz ZGZYNPKINKTXDS-UHFFFAOYSA-N 0 3 306.406 2.239 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2occ3c2CCC3)CC1 ZINC001228466684 803363806 /nfs/dbraw/zinc/36/38/06/803363806.db2.gz KOHRLGGXRXOMGU-UHFFFAOYSA-N 0 3 318.417 2.165 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001228894941 803426261 /nfs/dbraw/zinc/42/62/61/803426261.db2.gz GAJVRYVRLKUIHP-GOSISDBHSA-N 0 3 314.429 2.110 20 30 DEEDHN C(=NNC1CCSCC1)c1ccc(N2CCOCC2)cc1 ZINC001330892202 1149326416 /nfs/dbraw/zinc/32/64/16/1149326416.db2.gz XQYCQNMZEKYDJM-UHFFFAOYSA-N 0 3 305.447 2.342 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(C)[C@H](C)C(=O)NCCC)CC1 ZINC001331045591 1149367632 /nfs/dbraw/zinc/36/76/32/1149367632.db2.gz RYHMMSJKFGGDIC-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccccc2O[C@@H](C)C(=O)OC)C1 ZINC001334984621 1150363289 /nfs/dbraw/zinc/36/32/89/1150363289.db2.gz MPFOJPRSLOAJLS-GOEBONIOSA-N 0 3 319.401 2.404 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1ccn(CC)n1)C1CC1 ZINC001419344599 1168414169 /nfs/dbraw/zinc/41/41/69/1168414169.db2.gz GRQURIVKVITVIV-INIZCTEOSA-N 0 3 324.856 2.073 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC2)C1 ZINC001328129705 1148727610 /nfs/dbraw/zinc/72/76/10/1148727610.db2.gz WKCZGTNQIAJIGH-IRXDYDNUSA-N 0 3 321.509 2.463 20 30 DEEDHN CC[C@H](C)OCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001370357517 1149577913 /nfs/dbraw/zinc/57/79/13/1149577913.db2.gz CDSRWGPKILGYML-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC001574963440 1069310031 /nfs/dbraw/zinc/31/00/31/1069310031.db2.gz UQEQGFRZVAVPCL-GXFFZTMASA-N 0 3 309.207 2.367 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001343293960 1150730987 /nfs/dbraw/zinc/73/09/87/1150730987.db2.gz BFJFYXQJQUZYGI-JKSUJKDBSA-N 0 3 304.390 2.476 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C)cn2ccnc12 ZINC001327239817 1148402612 /nfs/dbraw/zinc/40/26/12/1148402612.db2.gz UCMKEVUGVAMQTD-UHFFFAOYSA-N 0 3 312.417 2.060 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC001574962447 1069311082 /nfs/dbraw/zinc/31/10/82/1069311082.db2.gz LRHZHAOMKSSWHL-LJQANCHMSA-N 0 3 321.424 2.394 20 30 DEEDHN CC#CC[C@H](N)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001574970676 1069315357 /nfs/dbraw/zinc/31/53/57/1069315357.db2.gz XYVYIFNHAWLQNT-OCCSQVGLSA-N 0 3 320.462 2.054 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](CO)NCc1cc(C)cc(C)c1 ZINC001331789715 1149688713 /nfs/dbraw/zinc/68/87/13/1149688713.db2.gz LKYSTYSNXMLBLC-KRWDZBQOSA-N 0 3 318.461 2.472 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@@H]1C ZINC001345528969 1150894433 /nfs/dbraw/zinc/89/44/33/1150894433.db2.gz OSFFOGWONVEPHJ-ILXRZTDVSA-N 0 3 323.481 2.035 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(F)F ZINC001331855101 1149729763 /nfs/dbraw/zinc/72/97/63/1149729763.db2.gz YVXQHWDAPNVJNK-DZGCQCFKSA-N 0 3 306.356 2.272 20 30 DEEDHN CC#CCNC[C@](C)(O)c1ccc(Br)cc1F ZINC001346237528 1150956764 /nfs/dbraw/zinc/95/67/64/1150956764.db2.gz QAPJQHMYXFTZGX-ZDUSSCGKSA-N 0 3 300.171 2.409 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2c(C)nsc2C)[C@@H]1C ZINC001331867849 1149738469 /nfs/dbraw/zinc/73/84/69/1149738469.db2.gz BZAJOBBOAJBKOC-SWLSCSKDSA-N 0 3 323.462 2.042 20 30 DEEDHN C=C[C@H](C(=O)NCCN1CCC(OC)CC1)c1ccccc1 ZINC001346394552 1150979813 /nfs/dbraw/zinc/97/98/13/1150979813.db2.gz QUVUBFKWNDOFFL-KRWDZBQOSA-N 0 3 302.418 2.183 20 30 DEEDHN C[C@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)C#CC1CC1 ZINC001331880771 1149748521 /nfs/dbraw/zinc/74/85/21/1149748521.db2.gz YSEPTXPZZXYBEQ-CMPLNLGQSA-N 0 3 301.217 2.298 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C)OC ZINC001328463904 1148798422 /nfs/dbraw/zinc/79/84/22/1148798422.db2.gz LIMQUPMNFBXURV-RHSMWYFYSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCCOCC[NH2+]Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602846635 1069775305 /nfs/dbraw/zinc/77/53/05/1069775305.db2.gz SKWUIIUSPCOIHW-UHFFFAOYSA-N 0 3 301.394 2.166 20 30 DEEDHN C=CCCOCC[NH2+]Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602846635 1069775308 /nfs/dbraw/zinc/77/53/08/1069775308.db2.gz SKWUIIUSPCOIHW-UHFFFAOYSA-N 0 3 301.394 2.166 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001328559368 1148809982 /nfs/dbraw/zinc/80/99/82/1148809982.db2.gz VHQLGZNRGWAYLM-INIZCTEOSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)CCn1nc(C)cc1C ZINC001328707521 1148826231 /nfs/dbraw/zinc/82/62/31/1148826231.db2.gz QFVNQSXIMJQAHD-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001605283104 1070670563 /nfs/dbraw/zinc/67/05/63/1070670563.db2.gz DTQWGTTUQNIMSE-DGCLKSJQSA-N 0 3 312.377 2.047 20 30 DEEDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001605283104 1070670565 /nfs/dbraw/zinc/67/05/65/1070670565.db2.gz DTQWGTTUQNIMSE-DGCLKSJQSA-N 0 3 312.377 2.047 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001529407049 1070951800 /nfs/dbraw/zinc/95/18/00/1070951800.db2.gz ZLEZXVOKPMKVBU-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001328780258 1148834392 /nfs/dbraw/zinc/83/43/92/1148834392.db2.gz LXNAQFGFLRMZPO-UONOGXRCSA-N 0 3 316.449 2.257 20 30 DEEDHN C[N@H+](CCCN1CCCC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606120994 1071044692 /nfs/dbraw/zinc/04/46/92/1071044692.db2.gz BGHNHAPDHLLTPD-MRXNPFEDSA-N 0 3 301.390 2.102 20 30 DEEDHN C[N@@H+](CCCN1CCCC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606120994 1071044698 /nfs/dbraw/zinc/04/46/98/1071044698.db2.gz BGHNHAPDHLLTPD-MRXNPFEDSA-N 0 3 301.390 2.102 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NC(=O)CN1CCC[C@@H]1C ZINC001531218831 1071462482 /nfs/dbraw/zinc/46/24/82/1071462482.db2.gz HCTMAXACAKTKEK-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1noc([C@@H]2CCCN(C[C@@H](O)c3cccc(C#N)c3)C2)n1 ZINC001459345532 1058150411 /nfs/dbraw/zinc/15/04/11/1058150411.db2.gz FBKGTXKZOKAIBZ-HZPDHXFCSA-N 0 3 312.373 2.163 20 30 DEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc(C#N)ccn1 ZINC001460093180 1058260663 /nfs/dbraw/zinc/26/06/63/1058260663.db2.gz HQNOELSCBHQGNU-KSSFIOAISA-N 0 3 323.396 2.463 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001500457217 1058800961 /nfs/dbraw/zinc/80/09/61/1058800961.db2.gz FGBLPRUQKYWUFR-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001500515354 1058885523 /nfs/dbraw/zinc/88/55/23/1058885523.db2.gz PFLMFCZGZJRQJF-SJLPKXTDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001500765924 1059077004 /nfs/dbraw/zinc/07/70/04/1059077004.db2.gz JDIHEDXQSGMVAW-CTWPCTMYSA-N 0 3 320.477 2.332 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cncs1)C2 ZINC001501002941 1059196106 /nfs/dbraw/zinc/19/61/06/1059196106.db2.gz GADBYLIDLVAHGF-KKUMJFAQSA-N 0 3 315.442 2.026 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCO)CCCCC1 ZINC001501408099 1059496547 /nfs/dbraw/zinc/49/65/47/1059496547.db2.gz OLVBRFOFLUHZOU-SJORKVTESA-N 0 3 318.461 2.018 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001467727987 1059693559 /nfs/dbraw/zinc/69/35/59/1059693559.db2.gz YTKYEVZSPUKBFT-VQHVLOKHSA-N 0 3 304.390 2.077 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cn(C)nc2C)CC1 ZINC001502132477 1059981753 /nfs/dbraw/zinc/98/17/53/1059981753.db2.gz UBHVPNHJKZBFNU-MRXNPFEDSA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CCCc1cccnc1 ZINC001502387516 1060098440 /nfs/dbraw/zinc/09/84/40/1060098440.db2.gz XXEPSAPTHOUDSM-UHFFFAOYSA-N 0 3 301.434 2.208 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](CC)Oc1ccccc1F ZINC001502390703 1060105105 /nfs/dbraw/zinc/10/51/05/1060105105.db2.gz OUEZQMPOETVMFE-INIZCTEOSA-N 0 3 320.408 2.397 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@](CO)(NC[C@H](F)CC)C1 ZINC001502570797 1060183361 /nfs/dbraw/zinc/18/33/61/1060183361.db2.gz SHCOOYNGDOZEDT-PBHICJAKSA-N 0 3 314.445 2.280 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccnc(OC)c1 ZINC001329048500 1148860729 /nfs/dbraw/zinc/86/07/29/1148860729.db2.gz NDKDMURLXPWGKU-UONOGXRCSA-N 0 3 305.422 2.429 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001502734878 1060259657 /nfs/dbraw/zinc/25/96/57/1060259657.db2.gz MELYLXBRZORJOZ-WMLDXEAASA-N 0 3 320.383 2.363 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001502819848 1060324167 /nfs/dbraw/zinc/32/41/67/1060324167.db2.gz CDFLFJDTMOUNHJ-PBHICJAKSA-N 0 3 324.428 2.435 20 30 DEEDHN C#CCN1CCC(C(=O)N2CCC[C@H]2c2nc(C)c(C)[nH]2)CC1 ZINC001471859227 1060329134 /nfs/dbraw/zinc/32/91/34/1060329134.db2.gz JUTSFCUYHYIFFA-INIZCTEOSA-N 0 3 314.433 2.035 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2cccc(C)c2)C[C@H]1C ZINC001503014670 1060422048 /nfs/dbraw/zinc/42/20/48/1060422048.db2.gz OZLKUEKZCTVPEV-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCn1cccn1 ZINC001505446685 1060612333 /nfs/dbraw/zinc/61/23/33/1060612333.db2.gz QLHNZUZVTKTPLD-MRXNPFEDSA-N 0 3 318.465 2.408 20 30 DEEDHN COCCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001505573562 1060727122 /nfs/dbraw/zinc/72/71/22/1060727122.db2.gz CGVJNFVYRJGHRA-IRXDYDNUSA-N 0 3 316.445 2.338 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1c[nH]nc1CC ZINC001505819816 1060999155 /nfs/dbraw/zinc/99/91/55/1060999155.db2.gz AONNCRBIYHLKEJ-UHFFFAOYSA-N 0 3 312.845 2.412 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001479241239 1061315032 /nfs/dbraw/zinc/31/50/32/1061315032.db2.gz PKHFHIIMOAIIQD-DOTOQJQBSA-N 0 3 312.429 2.394 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001479255809 1061332242 /nfs/dbraw/zinc/33/22/42/1061332242.db2.gz UGYURYGRTCJXCJ-CQSZACIVSA-N 0 3 302.422 2.400 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001479293953 1061372992 /nfs/dbraw/zinc/37/29/92/1061372992.db2.gz WVEWBEQAXRWWPA-AKAXFMLLSA-N 0 3 318.367 2.363 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001479330289 1061393862 /nfs/dbraw/zinc/39/38/62/1061393862.db2.gz QAIGLDWAXFOUCL-VNHYZAJKSA-N 0 3 300.830 2.040 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001479367899 1061417446 /nfs/dbraw/zinc/41/74/46/1061417446.db2.gz TYDRQTWWMQULEB-CTYIDZIISA-N 0 3 319.836 2.379 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)OCC)C2)CC1 ZINC001479497185 1061479236 /nfs/dbraw/zinc/47/92/36/1061479236.db2.gz WQDOPIBKVXQLKA-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC001479654691 1061563911 /nfs/dbraw/zinc/56/39/11/1061563911.db2.gz NMGXZHLRRKDREI-MRXNPFEDSA-N 0 3 322.474 2.152 20 30 DEEDHN C#CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001479684119 1061596987 /nfs/dbraw/zinc/59/69/87/1061596987.db2.gz WUICAHHAQYHPQI-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001479814798 1061832548 /nfs/dbraw/zinc/83/25/48/1061832548.db2.gz PKNVXTQXYXOLQB-MRXNPFEDSA-N 0 3 316.445 2.335 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)N(C)C(C)C ZINC001479820505 1061839606 /nfs/dbraw/zinc/83/96/06/1061839606.db2.gz LEHATFIPKRGEPW-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCN(CCCNC(=O)c1cnoc1-c1ccco1)C1CC1 ZINC001479870288 1061962894 /nfs/dbraw/zinc/96/28/94/1061962894.db2.gz CLOXGZZDZBUUBY-UHFFFAOYSA-N 0 3 313.357 2.152 20 30 DEEDHN C#CCN(CCCNC(=O)c1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001479877002 1061973204 /nfs/dbraw/zinc/97/32/04/1061973204.db2.gz KVYCWZMKJWGUER-UHFFFAOYSA-N 0 3 323.396 2.158 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001479902232 1062017399 /nfs/dbraw/zinc/01/73/99/1062017399.db2.gz CKZMGGSSGLHDMJ-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN N#CCSCC(=O)N[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001479945131 1062076821 /nfs/dbraw/zinc/07/68/21/1062076821.db2.gz 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C=CCN1CCC[C@H]1CNC(=O)COC/C=C\c1ccccc1 ZINC001493111338 1063578041 /nfs/dbraw/zinc/57/80/41/1063578041.db2.gz NIUWNRFRLCNHJS-VOCYLRNQSA-N 0 3 314.429 2.483 20 30 DEEDHN C#CCCCC(=O)NCC1=CCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC001508201233 1063606812 /nfs/dbraw/zinc/60/68/12/1063606812.db2.gz IFWFXSKMJVPHMO-RDJZCZTQSA-N 0 3 304.434 2.106 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001493159301 1063609016 /nfs/dbraw/zinc/60/90/16/1063609016.db2.gz KNXXPCGUCNPYCH-HNNXBMFYSA-N 0 3 318.417 2.013 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)C2(F)CCOCC2)c(F)c1 ZINC001508235974 1063623852 /nfs/dbraw/zinc/62/38/52/1063623852.db2.gz OLDGCTLADMJAOZ-UHFFFAOYSA-N 0 3 324.371 2.236 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001493208257 1063638883 /nfs/dbraw/zinc/63/88/83/1063638883.db2.gz XGEHBRGDNFQMDP-HUUCEWRRSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001508610340 1063777612 /nfs/dbraw/zinc/77/76/12/1063777612.db2.gz 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C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H](OCCCC)C1(C)C ZINC001632744824 1078390414 /nfs/dbraw/zinc/39/04/14/1078390414.db2.gz JJULBUGMYWLOQJ-CVEARBPZSA-N 0 3 323.481 2.225 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)CCOCC(F)(F)F)C1 ZINC001498376445 1066664611 /nfs/dbraw/zinc/66/46/11/1066664611.db2.gz JVZVLISHMLXPRD-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001498449406 1066713867 /nfs/dbraw/zinc/71/38/67/1066713867.db2.gz FKZJCBPXKVDRRB-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC001576907901 1066720197 /nfs/dbraw/zinc/72/01/97/1066720197.db2.gz MVCUTNYOYQMVJW-BXUZGUMPSA-N 0 3 319.430 2.145 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001577113658 1066766066 /nfs/dbraw/zinc/76/60/66/1066766066.db2.gz ZPOQXIOUUJUTOE-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1sc(C)nc1C ZINC001498582155 1066787451 /nfs/dbraw/zinc/78/74/51/1066787451.db2.gz ACPGAVCEAGFUDX-UHFFFAOYSA-N 0 3 315.870 2.493 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCN1[C@H](CC)c1ccccc1 ZINC001498976873 1066994817 /nfs/dbraw/zinc/99/48/17/1066994817.db2.gz GFBXUMLQWKSGEZ-ZWKOTPCHSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001499000583 1067012464 /nfs/dbraw/zinc/01/24/64/1067012464.db2.gz RBQNVHDWYNRERV-HOCLYGCPSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001499033179 1067039732 /nfs/dbraw/zinc/03/97/32/1067039732.db2.gz QQVHTZHMXKUSTE-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001499093285 1067085923 /nfs/dbraw/zinc/08/59/23/1067085923.db2.gz NSMIIRBFCGBJPX-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@H]1CNc2ccccc2[C@@H]1O ZINC001578445001 1067104080 /nfs/dbraw/zinc/10/40/80/1067104080.db2.gz AZKLKVZXCLXFGI-FHWLQOOXSA-N 0 3 323.396 2.051 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1csc2nccn12 ZINC001499120204 1067104730 /nfs/dbraw/zinc/10/47/30/1067104730.db2.gz LTUBJIQNLPTCBI-CYBMUJFWSA-N 0 3 318.446 2.095 20 30 DEEDHN CN1CCN(C(=O)[C@@H](N)CCCCC#N)c2cc(F)ccc21 ZINC001578530729 1067126805 /nfs/dbraw/zinc/12/68/05/1067126805.db2.gz NERXKKRRNBIVDP-ZDUSSCGKSA-N 0 3 304.369 2.020 20 30 DEEDHN CNC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)c(Cl)c1 ZINC001578563265 1067131671 /nfs/dbraw/zinc/13/16/71/1067131671.db2.gz QSTICJRSYNONPU-LBPRGKRZSA-N 0 3 322.796 2.049 20 30 DEEDHN C[C@@H](NC1(CNC(=O)[C@@H](C)C#N)CC1)c1ccc(F)c(F)c1 ZINC001499183607 1067134177 /nfs/dbraw/zinc/13/41/77/1067134177.db2.gz XXBBRONXEPBMJB-WDEREUQCSA-N 0 3 307.344 2.424 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2c(C)cccc2C)CC1 ZINC001499243186 1067153913 /nfs/dbraw/zinc/15/39/13/1067153913.db2.gz BFENPHSPXCQCCA-UHFFFAOYSA-N 0 3 314.429 2.334 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@H]3CCC3(F)F)CC2)c1 ZINC001499258895 1067159813 /nfs/dbraw/zinc/15/98/13/1067159813.db2.gz IYMCRASAQABHMP-CQSZACIVSA-N 0 3 319.355 2.342 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001499264029 1067162123 /nfs/dbraw/zinc/16/21/23/1067162123.db2.gz QXFHQAYLPLSCAO-NEPJUHHUSA-N 0 3 302.340 2.227 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cc(F)c(F)cc1Cl ZINC001266988290 1078483420 /nfs/dbraw/zinc/48/34/20/1078483420.db2.gz FSUBWGUGXHJEBE-SECBINFHSA-N 0 3 300.736 2.349 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2ccc(F)cc2F)CC1 ZINC001499408685 1067211360 /nfs/dbraw/zinc/21/13/60/1067211360.db2.gz BYIKQWJEQQVORN-UHFFFAOYSA-N 0 3 306.356 2.159 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2(NCc3ccsc3)CC2)nc1 ZINC001499418522 1067214740 /nfs/dbraw/zinc/21/47/40/1067214740.db2.gz DTLBVJKKOXVLKA-UHFFFAOYSA-N 0 3 311.410 2.177 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC001499420719 1067214883 /nfs/dbraw/zinc/21/48/83/1067214883.db2.gz HMLBPFZQXVMUAQ-INIZCTEOSA-N 0 3 324.440 2.183 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001499511488 1067241627 /nfs/dbraw/zinc/24/16/27/1067241627.db2.gz HROKRDJNPPJANM-SJORKVTESA-N 0 3 318.461 2.445 20 30 DEEDHN CSc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1C#N ZINC001579387974 1067322650 /nfs/dbraw/zinc/32/26/50/1067322650.db2.gz LCUHPPJOPIGSMD-AWEZNQCLSA-N 0 3 316.430 2.308 20 30 DEEDHN Cc1c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc(CN)n1C ZINC001579524305 1067360564 /nfs/dbraw/zinc/36/05/64/1067360564.db2.gz LBWZKOJVCLUYQG-KRWDZBQOSA-N 0 3 308.385 2.081 20 30 DEEDHN Cc1ccc(N2CCN(C(=O)[C@@H](N)CCCCC#N)CC2)cc1 ZINC001579715248 1067409450 /nfs/dbraw/zinc/40/94/50/1067409450.db2.gz VYRXBZPJDKIEQY-KRWDZBQOSA-N 0 3 314.433 2.055 20 30 DEEDHN Cn1ccc2ccc(NC(=O)C3CC4(C3)CNC[C@@H]4C#N)cc21 ZINC001579975765 1067464812 /nfs/dbraw/zinc/46/48/12/1067464812.db2.gz QASAAGGOSZKVEV-FVRSWCFKSA-N 0 3 308.385 2.256 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC001580048138 1067482036 /nfs/dbraw/zinc/48/20/36/1067482036.db2.gz UKJHMTYCQWYBNW-INIZCTEOSA-N 0 3 312.373 2.225 20 30 DEEDHN N#Cc1ccc(F)c(C(=O)Nc2ccnc([C@@H]3CCCN3)n2)c1 ZINC001580067549 1067487695 /nfs/dbraw/zinc/48/76/95/1067487695.db2.gz WWRSTHJCKLPDKF-ZDUSSCGKSA-N 0 3 311.320 2.164 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001267054903 1078532385 /nfs/dbraw/zinc/53/23/85/1078532385.db2.gz HHAIHXRTZYTNQO-HOTGVXAUSA-N 0 3 316.449 2.325 20 30 DEEDHN [NH3+]C[C@H]1OCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001580273216 1067548798 /nfs/dbraw/zinc/54/87/98/1067548798.db2.gz GJXLHCJBOJYZOX-VXGBXAGGSA-N 0 3 319.188 2.075 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1 ZINC001267111872 1078588957 /nfs/dbraw/zinc/58/89/57/1078588957.db2.gz MSHBEGHYZDSYOP-GOSISDBHSA-N 0 3 312.413 2.277 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@]23C[C@H]2COC3)CCCCC1 ZINC001409776584 1078595872 /nfs/dbraw/zinc/59/58/72/1078595872.db2.gz LKNOLNTXBYBQEW-BBRMVZONSA-N 0 3 312.841 2.184 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC[C@H](C)NCC(=C)Cl ZINC001267153653 1078616996 /nfs/dbraw/zinc/61/69/96/1078616996.db2.gz NNXBZCLRJAPLON-AWEZNQCLSA-N 0 3 304.821 2.447 20 30 DEEDHN C=C(C)CCC(=O)NC1CC(CNCc2cc(OC)no2)C1 ZINC001570562382 1068006464 /nfs/dbraw/zinc/00/64/64/1068006464.db2.gz CYXGMOZRIJONML-UHFFFAOYSA-N 0 3 307.394 2.024 20 30 DEEDHN COCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001570585799 1068020451 /nfs/dbraw/zinc/02/04/51/1068020451.db2.gz YMMQOOZJLCZKRZ-KGLIPLIRSA-N 0 3 322.836 2.211 20 30 DEEDHN Cc1ccc(F)c(CN[C@@H](C)[C@@H](C)NC(=O)CSCC#N)c1 ZINC001570589753 1068022600 /nfs/dbraw/zinc/02/26/00/1068022600.db2.gz JNIBAOJYMTXCJG-QWHCGFSZSA-N 0 3 323.437 2.374 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)CCO[C@H]2CC2(F)F)C1 ZINC001570736276 1068102626 /nfs/dbraw/zinc/10/26/26/1068102626.db2.gz UPLWCAJFFJTQKI-OLZOCXBDSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1[nH]c2ccccc2c1OC ZINC001570753157 1068109369 /nfs/dbraw/zinc/10/93/69/1068109369.db2.gz CZJTUBWUMPUUDC-GFCCVEGCSA-N 0 3 301.390 2.413 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H](OCC)C(C)C ZINC001570823360 1068131280 /nfs/dbraw/zinc/13/12/80/1068131280.db2.gz WYSNLQYLQBOYMR-IRXDYDNUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001570828693 1068132262 /nfs/dbraw/zinc/13/22/62/1068132262.db2.gz RKXHVODDBVYOMO-GOEBONIOSA-N 0 3 304.438 2.070 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)c3ccsc3)[C@@H]2C1 ZINC001570951965 1068165554 /nfs/dbraw/zinc/16/55/54/1068165554.db2.gz GBRICDCNGUUPFT-MIGQKNRLSA-N 0 3 302.443 2.169 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2cc(C)ncn2)C1 ZINC001571148601 1068186667 /nfs/dbraw/zinc/18/66/67/1068186667.db2.gz UTFXWJQNPAUHBS-BZUAXINKSA-N 0 3 316.449 2.372 20 30 DEEDHN Cc1ncoc1CNCCC[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001571254055 1068204846 /nfs/dbraw/zinc/20/48/46/1068204846.db2.gz VGUZGQBCAKUZTO-CYBMUJFWSA-N 0 3 305.422 2.407 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001511153538 1068217969 /nfs/dbraw/zinc/21/79/69/1068217969.db2.gz HLWDNFQDFQKZLV-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC001670754920 1078668932 /nfs/dbraw/zinc/66/89/32/1078668932.db2.gz DWWSMSLBFOTMMC-ZDUSSCGKSA-N 0 3 306.381 2.328 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001267231093 1078682210 /nfs/dbraw/zinc/68/22/10/1078682210.db2.gz NXTXHMVXYOAXGL-QGZVFWFLSA-N 0 3 302.418 2.231 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)NCC#Cc1ccccc1 ZINC001571385150 1068266076 /nfs/dbraw/zinc/26/60/76/1068266076.db2.gz BYXLSYANBGJZRX-KBMXLJTQSA-N 0 3 320.383 2.376 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@@H]1CC1(F)F)NCC#Cc1ccccc1 ZINC001571385672 1068266620 /nfs/dbraw/zinc/26/66/20/1068266620.db2.gz LSGIHAHVDCSVDC-ZFWWWQNUSA-N 0 3 306.356 2.130 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(-c2ccccc2)on1 ZINC001571395590 1068272393 /nfs/dbraw/zinc/27/23/93/1068272393.db2.gz JOZWKXGZDYDHFP-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)N[C@H](C)c2ccc(F)cc2)C1 ZINC001571439602 1068292267 /nfs/dbraw/zinc/29/22/67/1068292267.db2.gz KCUXSXFUMDWBNI-CJNGLKHVSA-N 0 3 320.408 2.310 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@H]1C ZINC001571477597 1068331076 /nfs/dbraw/zinc/33/10/76/1068331076.db2.gz SOXOEHOOFSFKQZ-TZMCWYRMSA-N 0 3 305.447 2.334 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NCc2cncn2C)C[C@H]1C ZINC001571478713 1068332972 /nfs/dbraw/zinc/33/29/72/1068332972.db2.gz GPEHOHRUQJMFDV-ZBFHGGJFSA-N 0 3 316.449 2.268 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001571491310 1068346724 /nfs/dbraw/zinc/34/67/24/1068346724.db2.gz PIYAMXOLAORKTN-KBPBESRZSA-N 0 3 311.385 2.352 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccccc2F)C1 ZINC001571492176 1068348748 /nfs/dbraw/zinc/34/87/48/1068348748.db2.gz ATDWCVUACIUNNY-HOCLYGCPSA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccon3)[C@H]2C1 ZINC001571508156 1068367903 /nfs/dbraw/zinc/36/79/03/1068367903.db2.gz BDDIAYLWWJJEKL-BHYGNILZSA-N 0 3 315.417 2.195 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2ccncc2C)[C@@H]1C ZINC001571517334 1068377873 /nfs/dbraw/zinc/37/78/73/1068377873.db2.gz QTGJNDFJZQPQEZ-RDJZCZTQSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001571604512 1068435025 /nfs/dbraw/zinc/43/50/25/1068435025.db2.gz ZRVGOBAZXVVEIC-HNNXBMFYSA-N 0 3 310.825 2.199 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cccn2nccc12)C(C)C ZINC001571613222 1068439933 /nfs/dbraw/zinc/43/99/33/1068439933.db2.gz NLKUTNCCHIHBCB-UHFFFAOYSA-N 0 3 312.417 2.140 20 30 DEEDHN CC(C)C#CC(=O)N(CCN(C)C[C@H]1CC[C@H](C)O1)C(C)C ZINC001571611867 1068440227 /nfs/dbraw/zinc/44/02/27/1068440227.db2.gz PGXCVOCEXLDGEM-DLBZAZTESA-N 0 3 308.466 2.382 20 30 DEEDHN CC(C)C#CC(=O)N(CCN(C)C[C@@H]1CC[C@H](C)O1)C(C)C ZINC001571611869 1068440675 /nfs/dbraw/zinc/44/06/75/1068440675.db2.gz PGXCVOCEXLDGEM-IRXDYDNUSA-N 0 3 308.466 2.382 20 30 DEEDHN C#CCCN(CCNC(=O)c1cc(C)sc1C)CCOC ZINC001571641213 1068455657 /nfs/dbraw/zinc/45/56/57/1068455657.db2.gz WIPHOGJRNFOMMM-UHFFFAOYSA-N 0 3 308.447 2.066 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(COC)CCC2)CC1 ZINC001571644106 1068456711 /nfs/dbraw/zinc/45/67/11/1068456711.db2.gz DAZNCHNYIFCVPW-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001267280976 1078727423 /nfs/dbraw/zinc/72/74/23/1078727423.db2.gz IFXOLVPWRNDDMU-HZPDHXFCSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCCC(=O)NC1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001571785890 1068522216 /nfs/dbraw/zinc/52/22/16/1068522216.db2.gz VZNLYERDIPULTK-GPANFISMSA-N 0 3 323.481 2.179 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001267297219 1078744938 /nfs/dbraw/zinc/74/49/38/1078744938.db2.gz DYJQAAWFAWXDHH-QGZVFWFLSA-N 0 3 320.477 2.435 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cccn1C)NCc1ccc(C#N)s1 ZINC001369235907 1148877703 /nfs/dbraw/zinc/87/77/03/1148877703.db2.gz ZQEVXABUMVOSTL-GFCCVEGCSA-N 0 3 316.430 2.209 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001483645786 1078739686 /nfs/dbraw/zinc/73/96/86/1078739686.db2.gz 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/nfs/dbraw/zinc/81/07/38/1078810738.db2.gz DUBWNLDDLFSMKG-UHFFFAOYSA-N 0 3 307.397 2.233 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCNCc1ccc2nonc2c1 ZINC001267413253 1078834377 /nfs/dbraw/zinc/83/43/77/1078834377.db2.gz YGKPYZAZIPZEJG-UHFFFAOYSA-N 0 3 316.405 2.373 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001573630627 1069054898 /nfs/dbraw/zinc/05/48/98/1069054898.db2.gz RAFDKDDOBWLWAU-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H]2C2CC2)c1 ZINC001644532925 1078849954 /nfs/dbraw/zinc/84/99/54/1078849954.db2.gz KACXHWZKESOEOW-MRXNPFEDSA-N 0 3 311.385 2.190 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)c1coc(C2CC2)n1 ZINC001267437166 1078853050 /nfs/dbraw/zinc/85/30/50/1078853050.db2.gz OOKMGOACRFKHSY-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NC(=O)CN(C)CCC)[C@H]1C ZINC001520934965 1069190706 /nfs/dbraw/zinc/19/07/06/1069190706.db2.gz KCMRPXWGLDRRLT-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCOCCN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC001521017712 1069199656 /nfs/dbraw/zinc/19/96/56/1069199656.db2.gz DHIWYVQEOAUXRY-UHFFFAOYSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC(C)(C)C(=O)Nc1ccccc1 ZINC001521851362 1069276764 /nfs/dbraw/zinc/27/67/64/1069276764.db2.gz RLHGXDDUPHGCOJ-AWEZNQCLSA-N 0 3 303.406 2.204 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccc3c(c2)OCCO3)CC1 ZINC001574851214 1069276848 /nfs/dbraw/zinc/27/68/48/1069276848.db2.gz BOIXBGITIBTIHS-GFCCVEGCSA-N 0 3 322.792 2.033 20 30 DEEDHN C=CCCCC(=O)Nc1sc2c(c1C(=O)OC)CCNC2 ZINC001574901219 1069290750 /nfs/dbraw/zinc/29/07/50/1069290750.db2.gz CJLRLMQHJPAUKQ-UHFFFAOYSA-N 0 3 308.403 2.475 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)OC)cc1OC ZINC001574908304 1069295290 /nfs/dbraw/zinc/29/52/90/1069295290.db2.gz JLOQVUOBKUBXBE-LBPRGKRZSA-N 0 3 306.362 2.104 20 30 DEEDHN COCCCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001671271075 1078903168 /nfs/dbraw/zinc/90/31/68/1078903168.db2.gz WWKKDRPGKJIBIR-SFHVURJKSA-N 0 3 314.429 2.045 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cnn(C)c2CC)C1 ZINC001272486118 1078918783 /nfs/dbraw/zinc/91/87/83/1078918783.db2.gz NVWAPGXFWQIVMK-ZDUSSCGKSA-N 0 3 324.856 2.177 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)C(=O)/C=C\c2ccc(F)cc2)CCN1C ZINC001545105910 1072561207 /nfs/dbraw/zinc/56/12/07/1072561207.db2.gz RVUWWGVTMODOBL-HLTURWSSSA-N 0 3 304.365 2.007 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ccc(C)n1C)c1ccccc1 ZINC001267517701 1078946600 /nfs/dbraw/zinc/94/66/00/1078946600.db2.gz NOZIERSQOUEVOB-KRWDZBQOSA-N 0 3 309.413 2.418 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cnc(C)nc3)CC2)C1=O ZINC001272558616 1078961051 /nfs/dbraw/zinc/96/10/51/1078961051.db2.gz OZBWKQBTUXQMBV-GOSISDBHSA-N 0 3 314.433 2.176 20 30 DEEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1cc(C)[nH]n1)CC2 ZINC001272545266 1078957579 /nfs/dbraw/zinc/95/75/79/1078957579.db2.gz YKPRRDBEAWGXMW-UHFFFAOYSA-N 0 3 316.449 2.499 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC ZINC001267534647 1078965123 /nfs/dbraw/zinc/96/51/23/1078965123.db2.gz ULSUFUGNDBTQIZ-YESZJQIVSA-N 0 3 306.450 2.280 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccnn2C(C)C)C1 ZINC001267542507 1078971840 /nfs/dbraw/zinc/97/18/40/1078971840.db2.gz YEJHNOAHKSRTQB-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN(CCC)CCNC(=O)CCc1cccc(F)c1F ZINC001493336160 1078977304 /nfs/dbraw/zinc/97/73/04/1078977304.db2.gz AULIZUNCIVMECI-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(Cc3ccccc3)C2)OCC1=O ZINC001272595326 1078997359 /nfs/dbraw/zinc/99/73/59/1078997359.db2.gz ZTSYPIZVEGKUPR-GOSISDBHSA-N 0 3 300.402 2.066 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H](C)COC)C1 ZINC001272606534 1079002096 /nfs/dbraw/zinc/00/20/96/1079002096.db2.gz BDMWCOUFHVOHKT-JSGCOSHPSA-N 0 3 302.846 2.240 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618776 1079015284 /nfs/dbraw/zinc/01/52/84/1079015284.db2.gz OIXJSLSJTWFLRN-GOSISDBHSA-N 0 3 300.402 2.393 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618776 1079015295 /nfs/dbraw/zinc/01/52/95/1079015295.db2.gz OIXJSLSJTWFLRN-GOSISDBHSA-N 0 3 300.402 2.393 20 30 DEEDHN C#CCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618129 1079016100 /nfs/dbraw/zinc/01/61/00/1079016100.db2.gz BTTFLJHLLZCOCL-UHFFFAOYSA-N 0 3 312.413 2.230 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272626298 1079019136 /nfs/dbraw/zinc/01/91/36/1079019136.db2.gz VZOFVYZGIHIYDG-SFHVURJKSA-N 0 3 316.401 2.154 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(CO)cc1 ZINC001480974830 1079019743 /nfs/dbraw/zinc/01/97/43/1079019743.db2.gz XRRYSGGZMCDMLO-UHFFFAOYSA-N 0 3 316.445 2.167 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cc(Br)co1 ZINC001481005372 1079050650 /nfs/dbraw/zinc/05/06/50/1079050650.db2.gz YJGTWAKTMQYQDX-UHFFFAOYSA-N 0 3 301.184 2.280 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc3cc(OC)ccc3[nH]2)CC1 ZINC001483764267 1079088459 /nfs/dbraw/zinc/08/84/59/1079088459.db2.gz DKSUTRWMERCPMW-UHFFFAOYSA-N 0 3 311.385 2.052 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001267596642 1079113787 /nfs/dbraw/zinc/11/37/87/1079113787.db2.gz QUNJRMDWUXDGEK-HZRUHFOJSA-N 0 3 300.830 2.112 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC001483793379 1079123998 /nfs/dbraw/zinc/12/39/98/1079123998.db2.gz CXFPEGBXOQIVSQ-UHFFFAOYSA-N 0 3 318.808 2.096 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(OC)c(F)c1 ZINC001481048582 1079124377 /nfs/dbraw/zinc/12/43/77/1079124377.db2.gz ZPAISWSZZLGIFU-AWEZNQCLSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001483806737 1079134684 /nfs/dbraw/zinc/13/46/84/1079134684.db2.gz LELARDLPMAHEIA-CVEARBPZSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cnc(C)cn2)C[C@H]1C ZINC001483898302 1079170726 /nfs/dbraw/zinc/17/07/26/1079170726.db2.gz IJDJAKLSBKBJLQ-HUUCEWRRSA-N 0 3 302.422 2.220 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CCCN2C(=O)C#CC(C)C)s1 ZINC001483930884 1079192779 /nfs/dbraw/zinc/19/27/79/1079192779.db2.gz GPCZWTZJGVEHSF-AWEZNQCLSA-N 0 3 305.447 2.192 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001483931578 1079193696 /nfs/dbraw/zinc/19/36/96/1079193696.db2.gz OKBWKLZJFGLUKG-IBGZPJMESA-N 0 3 308.425 2.278 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CCc2cncs2)CC1 ZINC001483972029 1079213768 /nfs/dbraw/zinc/21/37/68/1079213768.db2.gz ZULSTNSCMCGJPN-UHFFFAOYSA-N 0 3 305.447 2.070 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCOCc2ccccc2)C1 ZINC001481124591 1079223549 /nfs/dbraw/zinc/22/35/49/1079223549.db2.gz QQFKQPCUOMEDLH-GOSISDBHSA-N 0 3 314.429 2.055 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001481126985 1079224672 /nfs/dbraw/zinc/22/46/72/1079224672.db2.gz XVTCJEQMUUQCSU-KLAILNCOSA-N 0 3 320.477 2.147 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)SC)C2 ZINC001484019363 1079246216 /nfs/dbraw/zinc/24/62/16/1079246216.db2.gz BBOUBDNXDZWIJM-NVXWUHKLSA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C[C@@H]1OCc2ccccc21 ZINC001481153007 1079261440 /nfs/dbraw/zinc/26/14/40/1079261440.db2.gz OLZGJMJQYNYRIS-SFHVURJKSA-N 0 3 314.429 2.500 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC001646522322 1074470473 /nfs/dbraw/zinc/47/04/73/1074470473.db2.gz NFCLHXRJAMDYHA-QZTJIDSGSA-N 0 3 321.380 2.135 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001484057303 1079277537 /nfs/dbraw/zinc/27/75/37/1079277537.db2.gz HYJZRKVGIMCXLN-RHSMWYFYSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCc2ccccc2OC)C1 ZINC001484068810 1079290197 /nfs/dbraw/zinc/29/01/97/1079290197.db2.gz DXUPYUPSBGWHPG-SFHVURJKSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001267622383 1079290385 /nfs/dbraw/zinc/29/03/85/1079290385.db2.gz XTSIFJDEUCFSAX-IAGOWNOFSA-N 0 3 316.449 2.055 20 30 DEEDHN C=CCCC(=O)N1CC[C@](C)(CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001484082939 1079297903 /nfs/dbraw/zinc/29/79/03/1079297903.db2.gz LXGYJYCGHBIKGH-CXAGYDPISA-N 0 3 319.453 2.223 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(OCC(F)F)ccn1 ZINC001649912915 1079300852 /nfs/dbraw/zinc/30/08/52/1079300852.db2.gz PUCHOXPOWNRAMC-LBPRGKRZSA-N 0 3 313.348 2.116 20 30 DEEDHN CCN(CC)C(=O)CCC(=O)C(C#N)c1ncc(F)cc1F ZINC001646920784 1074694768 /nfs/dbraw/zinc/69/47/68/1074694768.db2.gz RVABCVDLTTYRPH-LLVKDONJSA-N 0 3 309.316 2.185 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@](C)(CNCc2cnns2)C1 ZINC001484108025 1079308271 /nfs/dbraw/zinc/30/82/71/1079308271.db2.gz MUBPSTIIPYTIAY-XJKSGUPXSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(-c2ccco2)n[nH]1)C1CC1 ZINC001481188935 1079310496 /nfs/dbraw/zinc/31/04/96/1079310496.db2.gz VIHHYPMMRPKFBC-UHFFFAOYSA-N 0 3 300.362 2.050 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2cccs2)CC1 ZINC001647047980 1074772437 /nfs/dbraw/zinc/77/24/37/1074772437.db2.gz GOWLURPQZSOYKW-UHFFFAOYSA-N 0 3 308.447 2.487 20 30 DEEDHN CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)CC#N ZINC001647707981 1074975604 /nfs/dbraw/zinc/97/56/04/1074975604.db2.gz UKPJXGHIWYKDIB-KBPBESRZSA-N 0 3 318.469 2.408 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)OCCCO2 ZINC001556466113 1075032566 /nfs/dbraw/zinc/03/25/66/1075032566.db2.gz JNTMFBIVJQPZKS-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001484254333 1079367788 /nfs/dbraw/zinc/36/77/88/1079367788.db2.gz JAJGJPWACOQODT-KRWDZBQOSA-N 0 3 324.371 2.151 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)COCCC)C(C)(C)[C@H]21 ZINC001565992483 1075213914 /nfs/dbraw/zinc/21/39/14/1075213914.db2.gz IDDBJCVNGHYFEI-OIISXLGYSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccnc(F)c2)cc1 ZINC001272681737 1079377402 /nfs/dbraw/zinc/37/74/02/1079377402.db2.gz AGZPQHVHYARUNZ-ZDUSSCGKSA-N 0 3 311.360 2.435 20 30 DEEDHN CN(CCCNC(=O)c1c[nH]c(C#N)c1)Cc1ccsc1 ZINC001566446582 1075246759 /nfs/dbraw/zinc/24/67/59/1075246759.db2.gz CUZASIPEAFDIEZ-UHFFFAOYSA-N 0 3 302.403 2.200 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccccc2Cl)C1 ZINC001566633613 1075301873 /nfs/dbraw/zinc/30/18/73/1075301873.db2.gz 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ZINC001567247972 1075474836 /nfs/dbraw/zinc/47/48/36/1075474836.db2.gz UAOYRZQZCLJJRK-CYBMUJFWSA-N 0 3 310.829 2.445 20 30 DEEDHN Cc1[nH]ccc1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001481219586 1079425890 /nfs/dbraw/zinc/42/58/90/1079425890.db2.gz GDPMEYJGTYGHCK-UHFFFAOYSA-N 0 3 314.364 2.196 20 30 DEEDHN CC[C@@H]1CC[C@H](C(=O)N(C)CCNCc2ccc(C#N)s2)O1 ZINC001481236718 1079446424 /nfs/dbraw/zinc/44/64/24/1079446424.db2.gz NTDDOAMKBLODMV-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)Cc2cccs2)C1 ZINC001267756086 1079457648 /nfs/dbraw/zinc/45/76/48/1079457648.db2.gz XJCNDBHUFICJPN-AWEZNQCLSA-N 0 3 308.447 2.026 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](CC)C1 ZINC001584535888 1076302954 /nfs/dbraw/zinc/30/29/54/1076302954.db2.gz POTPKQUTKBTUCL-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC1(O)CC[NH+](Cc2ccc(-c3nnn[n-]3)c(C)c2)CC1 ZINC001588558063 1076453972 /nfs/dbraw/zinc/45/39/72/1076453972.db2.gz ZHCBNOKQNONLRW-UHFFFAOYSA-N 0 3 313.405 2.078 20 30 DEEDHN C=CCC1(O)CC[NH+](Cc2ccc(-c3nn[n-]n3)c(C)c2)CC1 ZINC001588558063 1076453973 /nfs/dbraw/zinc/45/39/73/1076453973.db2.gz ZHCBNOKQNONLRW-UHFFFAOYSA-N 0 3 313.405 2.078 20 30 DEEDHN C=CC[N@@H+](CC[C@H](O)C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632485 1076458050 /nfs/dbraw/zinc/45/80/50/1076458050.db2.gz SORRRVOUUUWCHX-INIZCTEOSA-N 0 3 315.421 2.262 20 30 DEEDHN C=CC[N@H+](CC[C@H](O)C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632485 1076458054 /nfs/dbraw/zinc/45/80/54/1076458054.db2.gz SORRRVOUUUWCHX-INIZCTEOSA-N 0 3 315.421 2.262 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cc2cnccc2o1 ZINC001329486161 1148899721 /nfs/dbraw/zinc/89/97/21/1148899721.db2.gz JGUWOWVYOXBTEY-ZDUSSCGKSA-N 0 3 317.389 2.081 20 30 DEEDHN C=CCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001609054921 1077751392 /nfs/dbraw/zinc/75/13/92/1077751392.db2.gz LZYXLTHWYUUYFT-UHFFFAOYSA-N 0 3 323.404 2.323 20 30 DEEDHN C=CCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001609054921 1077751395 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ZINC001663512726 1080762099 /nfs/dbraw/zinc/76/20/99/1080762099.db2.gz MPHYBLOAVVBVEK-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC[C@H](F)CC)cn1 ZINC001482065168 1080770321 /nfs/dbraw/zinc/77/03/21/1080770321.db2.gz MJDMSKBODVTWOR-GDBMZVCRSA-N 0 3 303.381 2.005 20 30 DEEDHN Cc1ccccc1CN(CCNC(=O)CSCC#N)C1CC1 ZINC001663705738 1080805484 /nfs/dbraw/zinc/80/54/84/1080805484.db2.gz VKHIUNDHQIUMBI-UHFFFAOYSA-N 0 3 317.458 2.332 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1 ZINC001663727449 1080808823 /nfs/dbraw/zinc/80/88/23/1080808823.db2.gz NSKFZFXZCUEDNF-CYBMUJFWSA-N 0 3 306.381 2.360 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1CCOc2c(F)cccc21)C1CC1 ZINC001663735640 1080809889 /nfs/dbraw/zinc/80/98/89/1080809889.db2.gz UFTZNPXHEJMVRJ-HNNXBMFYSA-N 0 3 318.392 2.458 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CC[C@@H]1CCCO1 ZINC001663824725 1080822296 /nfs/dbraw/zinc/82/22/96/1080822296.db2.gz JXDIDQFNIHUGHL-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN CC(C)SCC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001663821075 1080822359 /nfs/dbraw/zinc/82/23/59/1080822359.db2.gz GAEPUDBFVZKUJI-UHFFFAOYSA-N 0 3 305.447 2.248 20 30 DEEDHN COCC#CCNCCN(C)C(=O)CCC1CCCCCC1 ZINC001664076722 1080856418 /nfs/dbraw/zinc/85/64/18/1080856418.db2.gz CPGMTYGWFLHSRV-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN CCCCCCCS(=O)(=O)N1C[C@H]2CCN(C)C[C@H]2C1 ZINC001664207245 1080875908 /nfs/dbraw/zinc/87/59/08/1080875908.db2.gz ZJBLSEILMSSLFO-CABCVRRESA-N 0 3 302.484 2.170 20 30 DEEDHN Cc1cc(C(=O)N(C)CCNCc2ccc(C#N)s2)ccn1 ZINC001664260865 1080885213 /nfs/dbraw/zinc/88/52/13/1080885213.db2.gz UHNPMFRIPRKIJI-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN CO[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001268641328 1080911237 /nfs/dbraw/zinc/91/12/37/1080911237.db2.gz WOBYNKGZLUHBMT-KGLIPLIRSA-N 0 3 322.836 2.211 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCC(=O)N1CCCC[C@@H]1CC ZINC001268659435 1080920573 /nfs/dbraw/zinc/92/05/73/1080920573.db2.gz RPNLSYPFZBLZSI-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](NC[C@H](C)O)c1ccccc1 ZINC001664593312 1080929913 /nfs/dbraw/zinc/92/99/13/1080929913.db2.gz VYCYJZIXPVODSL-GOEBONIOSA-N 0 3 304.434 2.417 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](NC[C@@H](C)O)c1ccccc1 ZINC001664593314 1080930011 /nfs/dbraw/zinc/93/00/11/1080930011.db2.gz VYCYJZIXPVODSL-ZBFHGGJFSA-N 0 3 304.434 2.417 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cncnc1CC)c1ccccc1 ZINC001664599448 1080930693 /nfs/dbraw/zinc/93/06/93/1080930693.db2.gz RMBRTUQRMGKXOA-GOSISDBHSA-N 0 3 322.412 2.123 20 30 DEEDHN CN(CCCNCC=C(Cl)Cl)C(=O)c1c[nH]c(C#N)c1 ZINC001268788342 1080990960 /nfs/dbraw/zinc/99/09/60/1080990960.db2.gz BUNUDRROKRBVCD-UHFFFAOYSA-N 0 3 315.204 2.257 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccn2nccc12 ZINC001268804807 1080998788 /nfs/dbraw/zinc/99/87/88/1080998788.db2.gz KPKFLCDRHNDDHH-UHFFFAOYSA-N 0 3 306.797 2.139 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001665632488 1081053569 /nfs/dbraw/zinc/05/35/69/1081053569.db2.gz 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C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001269332302 1081216385 /nfs/dbraw/zinc/21/63/85/1081216385.db2.gz PTDBKUMKWQEZKT-CABCVRRESA-N 0 3 303.406 2.006 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2nccs2)[C@H](C)C1 ZINC001667169966 1081219620 /nfs/dbraw/zinc/21/96/20/1081219620.db2.gz PONLDYNNMHOBDR-KGLIPLIRSA-N 0 3 305.447 2.129 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001269348924 1081223571 /nfs/dbraw/zinc/22/35/71/1081223571.db2.gz OTXOPPBAOXQURS-HOTGVXAUSA-N 0 3 302.418 2.404 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@@H](C)OC)NCC#Cc1ccc(F)cc1 ZINC001269377221 1081233045 /nfs/dbraw/zinc/23/30/45/1081233045.db2.gz BTFGGJDCTVVNJL-PBHICJAKSA-N 0 3 320.408 2.087 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2CCc3cc(F)ccc32)CC1 ZINC001269452121 1081252617 /nfs/dbraw/zinc/25/26/17/1081252617.db2.gz YOUKFGVYGMLMEO-MRXNPFEDSA-N 0 3 300.377 2.117 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001269466971 1081256419 /nfs/dbraw/zinc/25/64/19/1081256419.db2.gz 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C=C(C)CN(C)CCN(C)C(=O)COCc1ccc(C)cc1 ZINC001482601278 1082366789 /nfs/dbraw/zinc/36/67/89/1082366789.db2.gz GHBBTBPCCHQPIP-UHFFFAOYSA-N 0 3 304.434 2.478 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnn(C)c1C(F)(F)F ZINC001482609835 1082384608 /nfs/dbraw/zinc/38/46/08/1082384608.db2.gz HPBGSCLZSDXRSY-UHFFFAOYSA-N 0 3 318.343 2.019 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)Cc1cccc(Cl)c1F ZINC001482630358 1082422816 /nfs/dbraw/zinc/42/28/16/1082422816.db2.gz MAIYODFDUHSUBI-UHFFFAOYSA-N 0 3 310.800 2.435 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C1(c2ccccc2F)CC1 ZINC001482639752 1082428790 /nfs/dbraw/zinc/42/87/90/1082428790.db2.gz UAQAFUOWSLCDSQ-UHFFFAOYSA-N 0 3 302.393 2.271 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001482643568 1082431720 /nfs/dbraw/zinc/43/17/20/1082431720.db2.gz DKGKJOLKBHGICC-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCOCC(C)C)C1 ZINC001266888365 1082431834 /nfs/dbraw/zinc/43/18/34/1082431834.db2.gz CYTDBWDZDSZPCX-SJORKVTESA-N 0 3 308.466 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BKKODHFHIGKDML-UHFFFAOYSA-N 0 3 311.429 2.138 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1c2ccccc2nn1C ZINC001272145690 1082605146 /nfs/dbraw/zinc/60/51/46/1082605146.db2.gz PYIXSWUGDFSNSN-UHFFFAOYSA-N 0 3 300.406 2.153 20 30 DEEDHN C#CCCCC(=O)NC/C=C\CNCc1ccc(F)c(C#N)c1 ZINC001483001328 1082617461 /nfs/dbraw/zinc/61/74/61/1082617461.db2.gz BTEKCDBYTDPQPQ-WAYWQWQTSA-N 0 3 313.376 2.263 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C/CNCc1csc(C)c1 ZINC001483001908 1082618409 /nfs/dbraw/zinc/61/84/09/1082618409.db2.gz HSFHASJFSRUKJY-SQRWCISFSA-N 0 3 308.447 2.146 20 30 DEEDHN CC1(C(=O)NC/C=C/CNCc2ccc(C#N)c(F)c2)CC1 ZINC001483009339 1082622277 /nfs/dbraw/zinc/62/22/77/1082622277.db2.gz BAYXLJCHHNZDRD-NSCUHMNNSA-N 0 3 301.365 2.259 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC001483147957 1082775920 /nfs/dbraw/zinc/77/59/20/1082775920.db2.gz ZERBTXXQNNMVDU-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001483163452 1082784493 /nfs/dbraw/zinc/78/44/93/1082784493.db2.gz AXMSHACUGRDEAS-WBMJQRKESA-N 0 3 307.442 2.125 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(CF)CCC1 ZINC001483168063 1082787659 /nfs/dbraw/zinc/78/76/59/1082787659.db2.gz MADFYZQYLPOQFN-LLVKDONJSA-N 0 3 309.410 2.354 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccsc1C(F)F ZINC001483189429 1082797405 /nfs/dbraw/zinc/79/74/05/1082797405.db2.gz WHYHXBMGXYUYNX-SNVBAGLBSA-N 0 3 316.373 2.043 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001483214133 1082814839 /nfs/dbraw/zinc/81/48/39/1082814839.db2.gz DNVRWXNJQOODEZ-NSHDSACASA-N 0 3 314.788 2.276 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001483220359 1082822873 /nfs/dbraw/zinc/82/28/73/1082822873.db2.gz CNXIIKLAFQLUBE-RYUDHWBXSA-N 0 3 323.437 2.433 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001483337178 1083113674 /nfs/dbraw/zinc/11/36/74/1083113674.db2.gz DRHJDQFRTSGDKY-LAPNMUGCSA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C[C@H](OCC)C(C)C)C(C)(C)C1 ZINC001276587120 1083501271 /nfs/dbraw/zinc/50/12/71/1083501271.db2.gz WTLHECUPQNRPSA-HOTGVXAUSA-N 0 3 308.466 2.288 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CN(C)CCC)CC1 ZINC001077665197 1083634368 /nfs/dbraw/zinc/63/43/68/1083634368.db2.gz HRKSKIRZSBYCGG-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cc[nH]c1CN1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001276837763 1083640634 /nfs/dbraw/zinc/64/06/34/1083640634.db2.gz GSTREGCWLCVAPW-GOSISDBHSA-N 0 3 324.432 2.098 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](C)CSC)C[C@]2(C)C1 ZINC001276893863 1083668094 /nfs/dbraw/zinc/66/80/94/1083668094.db2.gz PVPPKLDNCVZRPA-OIISXLGYSA-N 0 3 308.491 2.179 20 30 DEEDHN C[C@@H]1C[C@@H]1CN1CCc2nc(C(=O)N3CC(CC#N)C3)ccc2C1 ZINC001277145241 1083806434 /nfs/dbraw/zinc/80/64/34/1083806434.db2.gz ADDFROFWTBRCKU-CZUORRHYSA-N 0 3 324.428 2.081 20 30 DEEDHN C=CCNC(=O)N1C[C@H]2CN(C[C@H](CC)CCCC)C[C@@H](C1)O2 ZINC001277174192 1083829164 /nfs/dbraw/zinc/82/91/64/1083829164.db2.gz YMLJSYZQZBRSMC-ZACQAIPSSA-N 0 3 323.481 2.483 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ncccc3OC)C2)C1=O ZINC001272752626 1083844548 /nfs/dbraw/zinc/84/45/48/1083844548.db2.gz WCMWEVMNPXHNIW-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC ZINC001316870320 1083932215 /nfs/dbraw/zinc/93/22/15/1083932215.db2.gz KUVBVPGOBGKKFL-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN N#CCC1CN(C(=O)C23CC(NCc4ccccc4F)(C2)C3)C1 ZINC001277415197 1083956838 /nfs/dbraw/zinc/95/68/38/1083956838.db2.gz YCOSTFMYOPXMBP-UHFFFAOYSA-N 0 3 313.376 2.210 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001490957594 1083971961 /nfs/dbraw/zinc/97/19/61/1083971961.db2.gz WDEIJZKEQYFIIM-HERUPUMHSA-N 0 3 324.856 2.194 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272764589 1083974741 /nfs/dbraw/zinc/97/47/41/1083974741.db2.gz BJOVIRNRVPEMTO-LJQANCHMSA-N 0 3 312.413 2.291 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272764589 1083974752 /nfs/dbraw/zinc/97/47/52/1083974752.db2.gz BJOVIRNRVPEMTO-LJQANCHMSA-N 0 3 312.413 2.291 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107961866 1084003438 /nfs/dbraw/zinc/00/34/38/1084003438.db2.gz CNVXQXFNHPJOLM-YOEHRIQHSA-N 0 3 305.422 2.190 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H](CNCc1c(C)noc1C)C1CC1 ZINC001277638076 1084070675 /nfs/dbraw/zinc/07/06/75/1084070675.db2.gz MNZFMCHXLDWWJD-KRWDZBQOSA-N 0 3 317.433 2.422 20 30 DEEDHN CC(C)C#CC(=O)N(C)[C@@H](CNCc1cncs1)C1CC1 ZINC001277647634 1084075764 /nfs/dbraw/zinc/07/57/64/1084075764.db2.gz UXCIRIYPKZHAMP-HNNXBMFYSA-N 0 3 305.447 2.129 20 30 DEEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3c2ccccn2)cc1C#N ZINC001277752960 1084129250 /nfs/dbraw/zinc/12/92/50/1084129250.db2.gz NZCFRILINVVLFS-IRXDYDNUSA-N 0 3 307.401 2.145 20 30 DEEDHN C[C@H](CN(C)C(=O)C(=O)C(C)(C)C)NCc1ccc(C#N)cc1 ZINC001277770539 1084141438 /nfs/dbraw/zinc/14/14/38/1084141438.db2.gz GLEWQHBWUWAOKI-CYBMUJFWSA-N 0 3 315.417 2.110 20 30 DEEDHN C=CCOCC(=O)NC1(C)CCN(Cc2cnccc2C)CC1 ZINC001671402805 1084162953 /nfs/dbraw/zinc/16/29/53/1084162953.db2.gz DSZQARRRBZBOHK-UHFFFAOYSA-N 0 3 317.433 2.063 20 30 DEEDHN CCc1ccnc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001128015051 1084163438 /nfs/dbraw/zinc/16/34/38/1084163438.db2.gz YULKVQVIMYGRMT-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)[C@H]1CCCN(CC#CC)C1 ZINC001491289721 1084214556 /nfs/dbraw/zinc/21/45/56/1084214556.db2.gz OZQOVNNZZGVPJF-IRXDYDNUSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C2CC(C)C2)CC2(CCOCC2)C1 ZINC001089935654 1084218503 /nfs/dbraw/zinc/21/85/03/1084218503.db2.gz CRAGZLGBXQIQHP-UYSNPLJNSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCCCC)C[C@H]1OC ZINC001212414555 1084240466 /nfs/dbraw/zinc/24/04/66/1084240466.db2.gz NOJDEQDERQXJKT-NVXWUHKLSA-N 0 3 319.449 2.293 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)C[C@H](C)C(F)(F)F)C2)CC1 ZINC001272818122 1084253066 /nfs/dbraw/zinc/25/30/66/1084253066.db2.gz YJWIULKHHNKUPY-LBPRGKRZSA-N 0 3 302.340 2.133 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001077863829 1084289195 /nfs/dbraw/zinc/28/91/95/1084289195.db2.gz UJOBMANOGPSLNQ-HUUCEWRRSA-N 0 3 322.836 2.390 20 30 DEEDHN C[C@H](CNC(=O)CC1CCOCC1)NCc1ccc(C#N)s1 ZINC001491418228 1084292277 /nfs/dbraw/zinc/29/22/77/1084292277.db2.gz JHIIKCFHJJEHEG-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001491453105 1084318631 /nfs/dbraw/zinc/31/86/31/1084318631.db2.gz VPDWOGJUCDCSCU-CQSZACIVSA-N 0 3 318.465 2.416 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1cccnc1C)CC2 ZINC001272828590 1084325186 /nfs/dbraw/zinc/32/51/86/1084325186.db2.gz SGSOFJMBBTWJMU-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3cnccn3)CC2)C1=O ZINC001272835481 1084356971 /nfs/dbraw/zinc/35/69/71/1084356971.db2.gz CEYOLUSEZACKRY-SFHVURJKSA-N 0 3 314.433 2.257 20 30 DEEDHN Cc1cc(CN2CCC[C@]3(CCCN(CCC#N)C3)C2)n(C)n1 ZINC001277938633 1084397371 /nfs/dbraw/zinc/39/73/71/1084397371.db2.gz CPWXPZVYOCRQNA-SFHVURJKSA-N 0 3 315.465 2.320 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001235469736 1084440673 /nfs/dbraw/zinc/44/06/73/1084440673.db2.gz HKOBPCDDOLMHPE-BBWFWOEESA-N 0 3 324.465 2.069 20 30 DEEDHN N#CCCCCN1C[C@@H]2OCCN(CCCC(F)(F)F)[C@H]2C1 ZINC001277948685 1084445174 /nfs/dbraw/zinc/44/51/74/1084445174.db2.gz MLUAPFLBUDPGLO-KBPBESRZSA-N 0 3 319.371 2.408 20 30 DEEDHN COc1ncnc2c1CCN(Cc1ccccc1CC#N)CC2 ZINC001235512746 1084451586 /nfs/dbraw/zinc/45/15/86/1084451586.db2.gz CWPRXHZMSRUOPE-UHFFFAOYSA-N 0 3 308.385 2.152 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1CC ZINC001235663111 1084491967 /nfs/dbraw/zinc/49/19/67/1084491967.db2.gz BKXJZKPWNBOHCL-CQSZACIVSA-N 0 3 304.438 2.095 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001078151609 1084565253 /nfs/dbraw/zinc/56/52/53/1084565253.db2.gz BXRXAWPSFZQBOV-RTBURBONSA-N 0 3 324.424 2.120 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001078196524 1084584916 /nfs/dbraw/zinc/58/49/16/1084584916.db2.gz DWUQPXCFZOHACZ-HZPDHXFCSA-N 0 3 320.408 2.184 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cc(C)nn2C)C12CCC2 ZINC001078573886 1084752269 /nfs/dbraw/zinc/75/22/69/1084752269.db2.gz PEPSQEKZYJBRJU-ZIAGYGMSSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)ncn2)C12CCC2 ZINC001078602086 1084764204 /nfs/dbraw/zinc/76/42/04/1084764204.db2.gz QIXWKASGOAWQQX-UONOGXRCSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccnnc2C)C12CCC2 ZINC001078671738 1084805179 /nfs/dbraw/zinc/80/51/79/1084805179.db2.gz XEEDBJAUKBAIQB-UONOGXRCSA-N 0 3 320.824 2.168 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)Oc1ccc(C)cc1 ZINC001485952727 1084998580 /nfs/dbraw/zinc/99/85/80/1084998580.db2.gz GZTIKPUISYJZPY-CVEARBPZSA-N 0 3 302.418 2.222 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cnn(CCC)c1C1CC1 ZINC001485942684 1085009941 /nfs/dbraw/zinc/00/99/41/1085009941.db2.gz WKIBUKCVYMGUEU-CQSZACIVSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)NCc1cc(C)cc(C)c1 ZINC001486000277 1085023700 /nfs/dbraw/zinc/02/37/00/1085023700.db2.gz OQXKOVWTMVQAEK-KRWDZBQOSA-N 0 3 304.434 2.226 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)N[C@@H]1CCCc2ccccc21 ZINC001486024847 1085030771 /nfs/dbraw/zinc/03/07/71/1085030771.db2.gz URIPBTKMCFJRJD-NVXWUHKLSA-N 0 3 316.445 2.343 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](NCCF)C[C@H]2C)cc1 ZINC001486111017 1085071493 /nfs/dbraw/zinc/07/14/93/1085071493.db2.gz YGRISPOYMPWKLY-ZBFHGGJFSA-N 0 3 318.392 2.251 20 30 DEEDHN CC[C@@H](F)CN[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001486228614 1085137025 /nfs/dbraw/zinc/13/70/25/1085137025.db2.gz KMEHEKUPVFAGJP-OCCSQVGLSA-N 0 3 306.385 2.075 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](N[C@@H](C)C(=O)NCCC)C(C)(C)C1 ZINC001486233457 1085171800 /nfs/dbraw/zinc/17/18/00/1085171800.db2.gz LNDVHNRIBTYDRZ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccn(CC)n1 ZINC000960269640 1085174950 /nfs/dbraw/zinc/17/49/50/1085174950.db2.gz VXJKDKWTKQQUCL-IEBWSBKVSA-N 0 3 324.428 2.003 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1nc(C)oc1C ZINC000960321199 1085195115 /nfs/dbraw/zinc/19/51/15/1085195115.db2.gz PIQPDLUDUHLRTK-NVXWUHKLSA-N 0 3 311.385 2.463 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)C(F)F ZINC000960349475 1085211675 /nfs/dbraw/zinc/21/16/75/1085211675.db2.gz IETBGHATLKQPGB-AWEZNQCLSA-N 0 3 307.344 2.246 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)C(C)C ZINC001486351014 1085213324 /nfs/dbraw/zinc/21/33/24/1085213324.db2.gz PEDAUMPPDFZXHX-ROUUACIJSA-N 0 3 318.461 2.363 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001486342911 1085223236 /nfs/dbraw/zinc/22/32/36/1085223236.db2.gz HKCFZEVJAJJNAH-MRXNPFEDSA-N 0 3 324.852 2.210 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)[C@H](C)COC)C(C)C)cc1 ZINC001486373416 1085245573 /nfs/dbraw/zinc/24/55/73/1085245573.db2.gz SUQQZAYVDIHHRJ-MRXNPFEDSA-N 0 3 316.445 2.485 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC001486378498 1085253219 /nfs/dbraw/zinc/25/32/19/1085253219.db2.gz LRGGUGCXCAVKHG-IRXDYDNUSA-N 0 3 308.466 2.384 20 30 DEEDHN CSCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960403057 1085257651 /nfs/dbraw/zinc/25/76/51/1085257651.db2.gz ZBYSNFGDTQKJQA-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000960444159 1085286576 /nfs/dbraw/zinc/28/65/76/1085286576.db2.gz LUYNWVYAGSVWCQ-KRWDZBQOSA-N 0 3 323.400 2.018 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)c1ccon1 ZINC000960448731 1085290783 /nfs/dbraw/zinc/29/07/83/1085290783.db2.gz DELXBVASUQQCOF-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000960463435 1085298663 /nfs/dbraw/zinc/29/86/63/1085298663.db2.gz UBKGUZKMPGNZKM-PBHICJAKSA-N 0 3 315.417 2.016 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001486437885 1085312590 /nfs/dbraw/zinc/31/25/90/1085312590.db2.gz NAJQEWFLRAQUQN-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001486439692 1085323121 /nfs/dbraw/zinc/32/31/21/1085323121.db2.gz IZYSUURAIWWEKL-NWDGAFQWSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)CCC2CCOCC2)CC1 ZINC001486440622 1085325767 /nfs/dbraw/zinc/32/57/67/1085325767.db2.gz VVMRXBVTDONBTN-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC/C(C)=C\C(=O)NC1(C2CCN(CC#CCOC)CC2)CC1 ZINC001486488345 1085367564 /nfs/dbraw/zinc/36/75/64/1085367564.db2.gz FCQGHNYIQACHKA-NXVVXOECSA-N 0 3 318.461 2.353 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960621623 1085386527 /nfs/dbraw/zinc/38/65/27/1085386527.db2.gz DELFJFMSEDRUKA-IBGZPJMESA-N 0 3 321.424 2.394 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001486558769 1085426035 /nfs/dbraw/zinc/42/60/35/1085426035.db2.gz OUIJBWNGTINBKU-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001486708565 1085539164 /nfs/dbraw/zinc/53/91/64/1085539164.db2.gz UGIYGUAUNJSDNY-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000961120784 1085593658 /nfs/dbraw/zinc/59/36/58/1085593658.db2.gz LHDKRCALDJLTLG-HZPDHXFCSA-N 0 3 318.461 2.185 20 30 DEEDHN CC(C)=CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000965887493 1085675846 /nfs/dbraw/zinc/67/58/46/1085675846.db2.gz XPPSCSZVWAFXRC-CZUORRHYSA-N 0 3 300.406 2.293 20 30 DEEDHN CC(C)=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000965910109 1085689630 /nfs/dbraw/zinc/68/96/30/1085689630.db2.gz KIIBKSASEYYXQP-XJKSGUPXSA-N 0 3 300.406 2.293 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000961437575 1085732702 /nfs/dbraw/zinc/73/27/02/1085732702.db2.gz BZMAQLWSLSFZHT-HALDLXJZSA-N 0 3 311.385 2.023 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ncccc2CC)[C@H](OC)C1 ZINC001212495886 1085753288 /nfs/dbraw/zinc/75/32/88/1085753288.db2.gz SAQWBZLMGGKNRV-HZPDHXFCSA-N 0 3 317.433 2.039 20 30 DEEDHN Cn1ccc(C(=O)NC2CC(CNCc3ccccc3C#N)C2)c1 ZINC000961705312 1085834255 /nfs/dbraw/zinc/83/42/55/1085834255.db2.gz IKFRLTBVYBBQHG-UHFFFAOYSA-N 0 3 322.412 2.195 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)[C@@H](O)C1 ZINC001083833476 1086083530 /nfs/dbraw/zinc/08/35/30/1086083530.db2.gz DGHQZKCCPXIATF-KRXQYRFLSA-N 0 3 308.466 2.186 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108078371 1086145261 /nfs/dbraw/zinc/14/52/61/1086145261.db2.gz OUDNVELHUNSURC-GUYCJALGSA-N 0 3 323.412 2.329 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C(C)(C)C)c1CC ZINC000962592394 1086177027 /nfs/dbraw/zinc/17/70/27/1086177027.db2.gz RDNGWDMKYKWVEP-FOLVSLTJSA-N 0 3 316.449 2.047 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCNCc1cnc(C)s1)OCC ZINC001128528013 1086183526 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CC#CCNC1(CNC(=O)[C@H](C)Oc2ccc(C)cc2)CCC1 ZINC001273194178 1087705829 /nfs/dbraw/zinc/70/58/29/1087705829.db2.gz DLKWMRVRFARPJH-INIZCTEOSA-N 0 3 314.429 2.414 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CSC)CC[C@H]1c1ccc(F)cc1 ZINC001079148717 1087726041 /nfs/dbraw/zinc/72/60/41/1087726041.db2.gz JGDONUSFJKWHTC-JKSUJKDBSA-N 0 3 320.433 2.096 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1c1cccc(F)c1 ZINC001079199875 1087741548 /nfs/dbraw/zinc/74/15/48/1087741548.db2.gz SLSPAZHWWVSSFX-NKGKWGDASA-N 0 3 314.404 2.389 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCC3CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079230046 1087785726 /nfs/dbraw/zinc/78/57/26/1087785726.db2.gz SFJQTISOQOKJTA-DLBZAZTESA-N 0 3 318.461 2.302 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001114724353 1088291844 /nfs/dbraw/zinc/29/18/44/1088291844.db2.gz LAJSBPOFHBRSJQ-QMCVQRASSA-N 0 3 306.450 2.204 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001079788062 1088399997 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C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(Cl)cc2C)C1 ZINC000958368902 1088943987 /nfs/dbraw/zinc/94/39/87/1088943987.db2.gz DTXPWBOZNJOQNV-XJKSGUPXSA-N 0 3 322.836 2.247 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC000958453362 1088996473 /nfs/dbraw/zinc/99/64/73/1088996473.db2.gz NIDYZKZTHNENPS-CMPLNLGQSA-N 0 3 314.838 2.000 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001080492696 1089003325 /nfs/dbraw/zinc/00/33/25/1089003325.db2.gz CCFYRRHTPYPCCO-CZUORRHYSA-N 0 3 300.402 2.248 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC000958480810 1089006299 /nfs/dbraw/zinc/00/62/99/1089006299.db2.gz IQIYLOMPMOEUCP-LSDHHAIUSA-N 0 3 324.371 2.223 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cccc3)nc2)C1 ZINC001080641716 1089117236 /nfs/dbraw/zinc/11/72/36/1089117236.db2.gz STTLTVWKJHSQMA-NVXWUHKLSA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001080728028 1089158204 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CO[C@H](C)C(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000959900619 1089835361 /nfs/dbraw/zinc/83/53/61/1089835361.db2.gz ANAMQCBNQZFABT-OLZOCXBDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ncccc2Cl)[C@H](OC)C1 ZINC001082336044 1089860007 /nfs/dbraw/zinc/86/00/07/1089860007.db2.gz SGBLCCGVOZWRSR-ZIAGYGMSSA-N 0 3 323.824 2.130 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)cc2C)[C@H](OC)C1 ZINC001082353708 1089870003 /nfs/dbraw/zinc/87/00/03/1089870003.db2.gz KWKDRHDJOAKSGE-IAGOWNOFSA-N 0 3 302.418 2.309 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)ccc2ccncc21 ZINC000960014454 1089905795 /nfs/dbraw/zinc/90/57/95/1089905795.db2.gz QAUINUASJBYTAT-HALDLXJZSA-N 0 3 311.360 2.220 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001082451154 1089949094 /nfs/dbraw/zinc/94/90/94/1089949094.db2.gz RDPXGRKEROLRNH-CKYFFXLPSA-N 0 3 311.838 2.498 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCCC3CCCC3)C[C@@H]21 ZINC001083026637 1090142129 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HFLYWYRARJOAPG-LSDHHAIUSA-N 0 3 304.390 2.061 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(C[C@](C)(O)c2ccccc2)C1 ZINC001253107444 1142844445 /nfs/dbraw/zinc/84/44/45/1142844445.db2.gz QCTFFDVDNOZYFE-AEFFLSMTSA-N 0 3 318.417 2.271 20 30 DEEDHN C=C[C@H](O)CNCc1ccc2nnc(-c3ccccc3F)n2c1 ZINC001253612282 1142884493 /nfs/dbraw/zinc/88/44/93/1142884493.db2.gz XYNWRYHSNIDJPC-ZDUSSCGKSA-N 0 3 312.348 2.172 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cc(Cl)ccc1C ZINC001339750382 1143093689 /nfs/dbraw/zinc/09/36/89/1143093689.db2.gz IUKSCCGKWLMLKA-UHFFFAOYSA-N 0 3 307.825 2.403 20 30 DEEDHN C=CCO[C@H]1CCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC001254556421 1143245564 /nfs/dbraw/zinc/24/55/64/1143245564.db2.gz KRXSNRYRLXIYTD-INIZCTEOSA-N 0 3 307.438 2.013 20 30 DEEDHN CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CC[C@H](C#N)C1 ZINC001254659557 1143301928 /nfs/dbraw/zinc/30/19/28/1143301928.db2.gz AXJDMFACSIFJTO-RRFJBIMHSA-N 0 3 323.437 2.246 20 30 DEEDHN COc1cc(C)nc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC001254674670 1143310044 /nfs/dbraw/zinc/31/00/44/1143310044.db2.gz BKCYPRNWCCVEAX-KGLIPLIRSA-N 0 3 316.405 2.329 20 30 DEEDHN COc1cnc(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)nc1 ZINC001254675019 1143310624 /nfs/dbraw/zinc/31/06/24/1143310624.db2.gz DBZYETSLKDBCOV-CHWSQXEVSA-N 0 3 302.378 2.021 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2cccc3ccsc32)C1 ZINC001278816753 1143327996 /nfs/dbraw/zinc/32/79/96/1143327996.db2.gz WHFPRJQOXUKGJY-QGZVFWFLSA-N 0 3 316.426 2.254 20 30 DEEDHN CC[C@@H](CC#N)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255152427 1143449637 /nfs/dbraw/zinc/44/96/37/1143449637.db2.gz STHZXODHTCVMBD-HNNXBMFYSA-N 0 3 324.469 2.211 20 30 DEEDHN CC[C@H](CC#N)n1nc(C(=O)N2CCC[C@H]2C)c2c1CCNC2 ZINC001255169523 1143464422 /nfs/dbraw/zinc/46/44/22/1143464422.db2.gz GGVVBPNFPFGCSE-CHWSQXEVSA-N 0 3 315.421 2.018 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ncc(Br)s1 ZINC001340917871 1143494972 /nfs/dbraw/zinc/49/49/72/1143494972.db2.gz QSLRPOMARJJQSX-MRVPVSSYSA-N 0 3 318.240 2.205 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N(C)[C@H]1CCCCNC1=O ZINC001341400376 1143595358 /nfs/dbraw/zinc/59/53/58/1143595358.db2.gz YOEOHIQOJPGDES-GJZGRUSLSA-N 0 3 311.470 2.191 20 30 DEEDHN COc1c(Cl)cccc1CNC(=O)[C@H](N)CCCCC#N ZINC001341427454 1143600101 /nfs/dbraw/zinc/60/01/01/1143600101.db2.gz CFFFHVFXVWELMI-CYBMUJFWSA-N 0 3 309.797 2.376 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001341532454 1143623419 /nfs/dbraw/zinc/62/34/19/1143623419.db2.gz JEZPWCUNSJGRNJ-CVEARBPZSA-N 0 3 306.381 2.409 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C ZINC001341593246 1143634873 /nfs/dbraw/zinc/63/48/73/1143634873.db2.gz LGSGBOFRGAARRZ-OCCSQVGLSA-N 0 3 301.390 2.039 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1nc2cc(F)ccc2n1C ZINC001341601080 1143636760 /nfs/dbraw/zinc/63/67/60/1143636760.db2.gz UFEAPXPWHAQUDQ-ZDUSSCGKSA-N 0 3 318.396 2.055 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001341793790 1143708430 /nfs/dbraw/zinc/70/84/30/1143708430.db2.gz BHYSNLZFCMJYFX-WOPDTQHZSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001341826019 1143718633 /nfs/dbraw/zinc/71/86/33/1143718633.db2.gz QJXCEIWINHRDMB-SJORKVTESA-N 0 3 318.417 2.279 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COC(F)(F)F)cc1 ZINC001342035516 1143774362 /nfs/dbraw/zinc/77/43/62/1143774362.db2.gz MGUWUGGVUKLLHM-NSHDSACASA-N 0 3 314.263 2.433 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@H](NC(=N)c2ccc(F)cn2)C1 ZINC001255897670 1143812986 /nfs/dbraw/zinc/81/29/86/1143812986.db2.gz DZVUMADQONSEBQ-LBPRGKRZSA-N 0 3 322.384 2.326 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(C#N)nc2)C1 ZINC001255903550 1143813618 /nfs/dbraw/zinc/81/36/18/1143813618.db2.gz LBCIQFPIAQULAI-HNNXBMFYSA-N 0 3 316.405 2.442 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C)C2)n1CC(C)C ZINC001342889605 1143841674 /nfs/dbraw/zinc/84/16/74/1143841674.db2.gz JEMITWIYLRPLJR-HUUCEWRRSA-N 0 3 303.454 2.201 20 30 DEEDHN C[C@@H]1C[C@H](N2CCC(=O)[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC001256553491 1143853623 /nfs/dbraw/zinc/85/36/23/1143853623.db2.gz HSMRWXFEANHIIO-BPQIPLTHSA-N 0 3 311.429 2.454 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1csnn1)c1ccccc1CC ZINC001278968911 1143870813 /nfs/dbraw/zinc/87/08/13/1143870813.db2.gz BIDJNIWPWJHFKF-AWEZNQCLSA-N 0 3 316.430 2.347 20 30 DEEDHN C=CCNC(=O)CNC[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)C ZINC001278989691 1143885610 /nfs/dbraw/zinc/88/56/10/1143885610.db2.gz OAWBTKWAMLDBGO-OAHLLOKOSA-N 0 3 323.481 2.156 20 30 DEEDHN C=C/C(C)=C/CC(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001279089591 1143990314 /nfs/dbraw/zinc/99/03/14/1143990314.db2.gz HWVZFZOKATXOKE-QLGNDSFESA-N 0 3 318.461 2.375 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC001262231015 1144300342 /nfs/dbraw/zinc/30/03/42/1144300342.db2.gz RUDIIZWPSMVNMB-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN O[C@@H](CNCC#C[C@H]1CCCCO1)COc1ccc(Cl)cc1 ZINC001262577924 1144321006 /nfs/dbraw/zinc/32/10/06/1144321006.db2.gz BTPXBMPSJVJETF-JKSUJKDBSA-N 0 3 323.820 2.242 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1OC ZINC001263089794 1144354724 /nfs/dbraw/zinc/35/47/24/1144354724.db2.gz SWJASIOTOMNJCE-LLVKDONJSA-N 0 3 308.378 2.335 20 30 DEEDHN C=CCOc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cc1OC ZINC001263201514 1144360969 /nfs/dbraw/zinc/36/09/69/1144360969.db2.gz HFJFIFUCYRDVIR-MCIONIFRSA-N 0 3 318.417 2.471 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CC[C@H]2CCCO2)C1 ZINC001263812517 1144398374 /nfs/dbraw/zinc/39/83/74/1144398374.db2.gz OHKTVGXOEAAACA-HZPDHXFCSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001263870330 1144416941 /nfs/dbraw/zinc/41/69/41/1144416941.db2.gz UPQNSVBQMYDFQT-HAQNSBGRSA-N 0 3 323.462 2.348 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC001264080623 1144457445 /nfs/dbraw/zinc/45/74/45/1144457445.db2.gz SDSOTVXDVUUMPR-CQSZACIVSA-N 0 3 322.836 2.425 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(CCOCCC(C)C)[C@@H]1C ZINC001264140525 1144482873 /nfs/dbraw/zinc/48/28/73/1144482873.db2.gz JDRXIRZFKYZWMD-SJORKVTESA-N 0 3 308.466 2.288 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC001264162029 1144493604 /nfs/dbraw/zinc/49/36/04/1144493604.db2.gz FTAHXKXNTBSDIE-ZBFHGGJFSA-N 0 3 305.422 2.027 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCOc1cccc(C)c1C ZINC001280821432 1144567989 /nfs/dbraw/zinc/56/79/89/1144567989.db2.gz HHKMQWOCNKCVAF-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1CCOCCC(C)C ZINC001264608238 1144578524 /nfs/dbraw/zinc/57/85/24/1144578524.db2.gz XDSXKYCLSZAFMC-ZWKOTPCHSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 ZINC001264636429 1144583211 /nfs/dbraw/zinc/58/32/11/1144583211.db2.gz SRFCYSVZDCMWCK-KRWDZBQOSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CCN(CCOCC(F)F)C[C@H]2C1 ZINC001264640507 1144584771 /nfs/dbraw/zinc/58/47/71/1144584771.db2.gz YBBLUKNQOXYFJF-KGLIPLIRSA-N 0 3 316.392 2.015 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c(F)cc(OC)cc1F ZINC001265037977 1144629741 /nfs/dbraw/zinc/62/97/41/1144629741.db2.gz VEGBIKSBZRAVGF-UHFFFAOYSA-N 0 3 310.344 2.048 20 30 DEEDHN CC#CCN(CCCNC(=O)Cc1ccc(CC)cn1)C1CC1 ZINC001265176231 1144660940 /nfs/dbraw/zinc/66/09/40/1144660940.db2.gz USSNEMZHKYUIQM-UHFFFAOYSA-N 0 3 313.445 2.181 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCc2ccccc2OC)C1 ZINC001265233260 1144673615 /nfs/dbraw/zinc/67/36/15/1144673615.db2.gz PTGODGMQZSXORG-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)/C=C\C(C)(C)C)CC1 ZINC001265240703 1144675350 /nfs/dbraw/zinc/67/53/50/1144675350.db2.gz ZJONXUABGZMOND-FPLPWBNLSA-N 0 3 307.482 2.289 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001265251518 1144676205 /nfs/dbraw/zinc/67/62/05/1144676205.db2.gz IYWKKICFWNNBKZ-SJORKVTESA-N 0 3 307.482 2.123 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001265303210 1144688093 /nfs/dbraw/zinc/68/80/93/1144688093.db2.gz CPWGKSMXCGLXNE-HZPDHXFCSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cnn(C)c2C)CC1 ZINC001265336245 1144695384 /nfs/dbraw/zinc/69/53/84/1144695384.db2.gz UNOSKEKBKNVNEA-UHFFFAOYSA-N 0 3 304.438 2.231 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C=C ZINC001265411725 1144702754 /nfs/dbraw/zinc/70/27/54/1144702754.db2.gz QMUCNLTZXBMFOX-TWMKSMIVSA-N 0 3 304.434 2.219 20 30 DEEDHN CC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001265462622 1144705404 /nfs/dbraw/zinc/70/54/04/1144705404.db2.gz KCRKHJXBQVQGEQ-SHTZXODSSA-N 0 3 310.319 2.314 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]2CN(Cc3cnn(C)c3)CC[C@H]21 ZINC001265520351 1144708617 /nfs/dbraw/zinc/70/86/17/1144708617.db2.gz DMTBKYDZIALHOZ-DLBZAZTESA-N 0 3 316.449 2.199 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001265536871 1144710076 /nfs/dbraw/zinc/71/00/76/1144710076.db2.gz CXZDDOHUWUEXBV-OKILXGFUSA-N 0 3 306.356 2.361 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)c1cc(F)c[nH]1 ZINC001265549550 1144711153 /nfs/dbraw/zinc/71/11/53/1144711153.db2.gz PNIVATHXLUQYHJ-IYBDPMFKSA-N 0 3 311.360 2.056 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001265596326 1144716594 /nfs/dbraw/zinc/71/65/94/1144716594.db2.gz AFQOESXAMRZSDI-ROUUACIJSA-N 0 3 316.420 2.419 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CNCc2nccs2)C1 ZINC001265607261 1144717432 /nfs/dbraw/zinc/71/74/32/1144717432.db2.gz MGUUHKMRGBWBRL-AWEZNQCLSA-N 0 3 305.447 2.275 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001265654272 1144722983 /nfs/dbraw/zinc/72/29/83/1144722983.db2.gz QOOMELFPOSCCEZ-HNNXBMFYSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001265680620 1144726719 /nfs/dbraw/zinc/72/67/19/1144726719.db2.gz SLGISZQXGKRUBK-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001265684017 1144727571 /nfs/dbraw/zinc/72/75/71/1144727571.db2.gz MRQJPCLHJOFEEX-MRXNPFEDSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)COc2ccccc2C)C1 ZINC001265708915 1144732263 /nfs/dbraw/zinc/73/22/63/1144732263.db2.gz VXTWATGKLLZQJQ-SJORKVTESA-N 0 3 314.429 2.224 20 30 DEEDHN CC#CCN(C)CCCNC(=O)COc1c(C)cc(C)cc1C ZINC001265966318 1144772503 /nfs/dbraw/zinc/77/25/03/1144772503.db2.gz PGABVDIEGRHWFA-UHFFFAOYSA-N 0 3 316.445 2.452 20 30 DEEDHN C#CCN(CCCNC(=O)[C@]1(C)CCc2ccccc21)C1CC1 ZINC001266176536 1144811785 /nfs/dbraw/zinc/81/17/85/1144811785.db2.gz RZVSVDRQFNAKIG-HXUWFJFHSA-N 0 3 310.441 2.494 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001266217638 1144815559 /nfs/dbraw/zinc/81/55/59/1144815559.db2.gz DUWCBQUTWFIAMT-WMZOPIPTSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCCC2CCOCC2)C1 ZINC001266222058 1144815806 /nfs/dbraw/zinc/81/58/06/1144815806.db2.gz MYOMTNPXJRBNIV-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cnn3c2CCC3)C1 ZINC001280072537 1144831604 /nfs/dbraw/zinc/83/16/04/1144831604.db2.gz GGTSOVJNHULVBW-ZDUSSCGKSA-N 0 3 322.840 2.024 20 30 DEEDHN CCC(C)(CC)C(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001280394138 1144837795 /nfs/dbraw/zinc/83/77/95/1144837795.db2.gz BCLFTNLVIKGHPC-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@H]1CCCCN1C(=O)C(C)C ZINC001280431641 1144839252 /nfs/dbraw/zinc/83/92/52/1144839252.db2.gz NOTBCWSIKAMELX-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCNC1(CNC(=O)c2csc(C(C)(C)C)n2)CCC1 ZINC001280521368 1144843561 /nfs/dbraw/zinc/84/35/61/1144843561.db2.gz KZBJZQWNRNIFEA-UHFFFAOYSA-N 0 3 305.447 2.316 20 30 DEEDHN C#CCNC1(CNC(=O)c2cnn(C3CCCCC3)c2)CCC1 ZINC001280526332 1144843840 /nfs/dbraw/zinc/84/38/40/1144843840.db2.gz QCPFXQOBLAZNLV-UHFFFAOYSA-N 0 3 314.433 2.264 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](OCC)C(C)C)C2 ZINC001281084723 1144871185 /nfs/dbraw/zinc/87/11/85/1144871185.db2.gz FRSJUDJOBZWKGK-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccc(F)cc2)C[C@H]1C ZINC001281687349 1144908253 /nfs/dbraw/zinc/90/82/53/1144908253.db2.gz XKQSAACYHIFHNO-GDBMZVCRSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2cc(C)n(C)n2)CCC1 ZINC001281743696 1144912155 /nfs/dbraw/zinc/91/21/55/1144912155.db2.gz FPDXUWXBKWWSOI-AWEZNQCLSA-N 0 3 318.465 2.459 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)/C(C)=C/CC)CCO2 ZINC001281778015 1144913710 /nfs/dbraw/zinc/91/37/10/1144913710.db2.gz RSLQUBGLPLWYOG-FRKPEAEDSA-N 0 3 304.434 2.059 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCC[C@H]2CNCCF)cc1 ZINC001281887458 1144918027 /nfs/dbraw/zinc/91/80/27/1144918027.db2.gz FFLXMYYJXWCUOR-INIZCTEOSA-N 0 3 318.392 2.252 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1CCC2 ZINC001281950176 1144922753 /nfs/dbraw/zinc/92/27/53/1144922753.db2.gz RGJZIDPMQNKGMF-SOLBZPMBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001282094265 1144972658 /nfs/dbraw/zinc/97/26/58/1144972658.db2.gz CKCNDJZFPRGFRS-NEPJUHHUSA-N 0 3 318.421 2.009 20 30 DEEDHN CCCOCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001282096154 1144973646 /nfs/dbraw/zinc/97/36/46/1144973646.db2.gz IZKGHXAICPXYBQ-NWDGAFQWSA-N 0 3 309.435 2.029 20 30 DEEDHN CCOc1cccc(CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001282130278 1144994589 /nfs/dbraw/zinc/99/45/89/1144994589.db2.gz WOVUJESCEHSJDA-LSDHHAIUSA-N 0 3 317.433 2.123 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCO[C@@H]1CC1(F)F ZINC001282444379 1145070542 /nfs/dbraw/zinc/07/05/42/1145070542.db2.gz PXDPFNHOJQJFTK-VXGBXAGGSA-N 0 3 304.381 2.059 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2cc3ccccc3o2)C1 ZINC001282726002 1145148570 /nfs/dbraw/zinc/14/85/70/1145148570.db2.gz RWPZNVNOMWWVHM-AWEZNQCLSA-N 0 3 310.397 2.435 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001282739300 1145156345 /nfs/dbraw/zinc/15/63/45/1145156345.db2.gz TXDRTGDMVSSYMV-RDTXWAMCSA-N 0 3 312.413 2.108 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CN(C[C@H]3CCCCO3)C2)C1 ZINC001282743088 1145159101 /nfs/dbraw/zinc/15/91/01/1145159101.db2.gz CUWJBTWHXAJZDE-GDBMZVCRSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCC(F)F)C(C)(C)C1 ZINC001282812470 1145169620 /nfs/dbraw/zinc/16/96/20/1145169620.db2.gz NWNCLGALNWVOGG-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(CC)nn1C ZINC001283260156 1145338857 /nfs/dbraw/zinc/33/88/57/1145338857.db2.gz MHNBFTQZMXHSCJ-LBPRGKRZSA-N 0 3 312.845 2.223 20 30 DEEDHN CC(C)[C@H](NC[C@@H](O)c1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC001364691460 1145470239 /nfs/dbraw/zinc/47/02/39/1145470239.db2.gz QHHDDKORKUXWKR-RDBSUJKOSA-N 0 3 316.323 2.129 20 30 DEEDHN Cc1ocnc1C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001283570639 1145526626 /nfs/dbraw/zinc/52/66/26/1145526626.db2.gz KPKFGRKTUDMNKD-AWEZNQCLSA-N 0 3 311.385 2.085 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCc2cncn2C)CC1 ZINC001283664536 1145570337 /nfs/dbraw/zinc/57/03/37/1145570337.db2.gz ZDQMQDLCLCVXIZ-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)c2cccc(C#N)c2Br)CCN1C ZINC001364878118 1145648077 /nfs/dbraw/zinc/64/80/77/1145648077.db2.gz CBIXPLQDYVYMBJ-BXKDBHETSA-N 0 3 322.206 2.143 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2scnc2C)[C@@H]1C ZINC001283941735 1145720712 /nfs/dbraw/zinc/72/07/12/1145720712.db2.gz ZJIVSJYPLGAEKL-UONOGXRCSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001284026524 1145757013 /nfs/dbraw/zinc/75/70/13/1145757013.db2.gz MMKQHMCNTWVXQU-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccc(F)cc1N1CCC(CN2CCOCC2)CC1 ZINC001365205431 1145821583 /nfs/dbraw/zinc/82/15/83/1145821583.db2.gz DWEJUVGMXRCPEF-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCc2ccncc2)CC1 ZINC001284686949 1145890241 /nfs/dbraw/zinc/89/02/41/1145890241.db2.gz ZWDDBXDXXPYIOM-MRXNPFEDSA-N 0 3 313.445 2.254 20 30 DEEDHN N#Cc1cc(C(=O)N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c[nH]1 ZINC001365630651 1145932819 /nfs/dbraw/zinc/93/28/19/1145932819.db2.gz WWSPGKSREUMSJE-QLFBSQMISA-N 0 3 312.417 2.080 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)SC)C1 ZINC001365812012 1146017513 /nfs/dbraw/zinc/01/75/13/1146017513.db2.gz WLOFCXAAFOMWAF-MXWKQRLJSA-N 0 3 321.284 2.131 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2cncs2)C1 ZINC001365854919 1146029725 /nfs/dbraw/zinc/02/97/25/1146029725.db2.gz KJNCJJSGVANWLW-HAQNSBGRSA-N 0 3 313.854 2.313 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 ZINC001491942128 1147009972 /nfs/dbraw/zinc/00/99/72/1147009972.db2.gz GTMDKTJOMXRAJT-MRXNPFEDSA-N 0 3 320.383 2.453 20 30 DEEDHN CCCN(CCNC(=O)[C@@H](C)C#N)CCc1c(F)cccc1F ZINC001366710582 1147503929 /nfs/dbraw/zinc/50/39/29/1147503929.db2.gz YXBGWZRHBNRYHK-ZDUSSCGKSA-N 0 3 323.387 2.495 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCCCN1C ZINC001310373888 1147516214 /nfs/dbraw/zinc/51/62/14/1147516214.db2.gz BXFZALBSBHNOHA-CQSZACIVSA-N 0 3 319.380 2.444 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1CCCCCCC1 ZINC001316764317 1147572870 /nfs/dbraw/zinc/57/28/70/1147572870.db2.gz SDKOAVDBTYZAPF-UHFFFAOYSA-N 0 3 308.466 2.387 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccoc2)CC(C)(C)C1 ZINC001316811677 1147605175 /nfs/dbraw/zinc/60/51/75/1147605175.db2.gz SPAIWWZLXQNGCC-INIZCTEOSA-N 0 3 302.418 2.452 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(N2CC=CC2)cc1)C1CC1 ZINC001316923473 1147631994 /nfs/dbraw/zinc/63/19/94/1147631994.db2.gz QQKLXZPNGCCGGB-UHFFFAOYSA-N 0 3 323.440 2.280 20 30 DEEDHN C=CCCC(=O)N(C)C1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC001316931833 1147634119 /nfs/dbraw/zinc/63/41/19/1147634119.db2.gz PFNQUAMJEWMSHG-KRWDZBQOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1 ZINC001316981439 1147643043 /nfs/dbraw/zinc/64/30/43/1147643043.db2.gz GHSLWKQMVCIVQK-KSSFIOAISA-N 0 3 320.408 2.454 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1ccnn1C)C1CC1 ZINC001317022399 1147649174 /nfs/dbraw/zinc/64/91/74/1147649174.db2.gz GPVXGCROGYMQPR-DOTOQJQBSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1C ZINC001317044019 1147652394 /nfs/dbraw/zinc/65/23/94/1147652394.db2.gz PDYHMBRNDJKQKD-CWRNSKLLSA-N 0 3 316.449 2.372 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001317064999 1147655305 /nfs/dbraw/zinc/65/53/05/1147655305.db2.gz MYYTUCYUVACFLE-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001367170392 1147658687 /nfs/dbraw/zinc/65/86/87/1147658687.db2.gz XRQSAHMINVSMQL-WFASDCNBSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Br)CNC[C@](C)(NC(=O)C(F)F)C1CC1 ZINC001367168925 1147659564 /nfs/dbraw/zinc/65/95/64/1147659564.db2.gz VPCPLFAVWASHBK-NSHDSACASA-N 0 3 311.170 2.035 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCc3cnoc3C)C2)CCC1 ZINC001317119551 1147662229 /nfs/dbraw/zinc/66/22/29/1147662229.db2.gz UYCGDRADCKZDEC-GASCZTMLSA-N 0 3 303.406 2.466 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CNCc2cnc(C)o2)C1 ZINC001317145322 1147666312 /nfs/dbraw/zinc/66/63/12/1147666312.db2.gz ZRBAUYFGFKLKRN-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001317211690 1147677767 /nfs/dbraw/zinc/67/77/67/1147677767.db2.gz QEUREOBQTLEZMX-ZRCQAKLPSA-N 0 3 308.425 2.406 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(Cl)cnn2CC)C1 ZINC001317378276 1147699204 /nfs/dbraw/zinc/69/92/04/1147699204.db2.gz WXWSRMFVRJZQCN-ZDUSSCGKSA-N 0 3 322.840 2.116 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H](C)n1ccnc1)C(C)C ZINC001367481867 1147700696 /nfs/dbraw/zinc/70/06/96/1147700696.db2.gz LEBDWPGKFHMNSF-KGLIPLIRSA-N 0 3 312.845 2.317 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(C)C[C@@H](O)C2CCCCC2)C1 ZINC001317461890 1147712165 /nfs/dbraw/zinc/71/21/65/1147712165.db2.gz HUDZKYWWDBWFFB-MRXNPFEDSA-N 0 3 308.466 2.332 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2c(C)onc2CC)C1 ZINC001317518020 1147718797 /nfs/dbraw/zinc/71/87/97/1147718797.db2.gz GNBDKELKFHOFPX-OAHLLOKOSA-N 0 3 317.433 2.287 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2oc(CC)nc2C)C1 ZINC001317520420 1147719039 /nfs/dbraw/zinc/71/90/39/1147719039.db2.gz ZQDTWGLXIHGUKE-HNNXBMFYSA-N 0 3 317.433 2.287 20 30 DEEDHN Cc1nc(C)c(CN2CC[C@@H](CNC(=O)C#CC3CC3)C2)s1 ZINC001317521778 1147719648 /nfs/dbraw/zinc/71/96/48/1147719648.db2.gz FASYGJYZFPYRMB-HNNXBMFYSA-N 0 3 317.458 2.111 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001317537693 1147722230 /nfs/dbraw/zinc/72/22/30/1147722230.db2.gz ZXUXDBSTVOQPPW-LSDHHAIUSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001317546646 1147723302 /nfs/dbraw/zinc/72/33/02/1147723302.db2.gz IYNVKELELWJARV-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN C=CCN(CCNC(=O)COc1cc(F)cc(F)c1)C1CC1 ZINC001317561727 1147725571 /nfs/dbraw/zinc/72/55/71/1147725571.db2.gz ONMHYPYJKIWOEB-UHFFFAOYSA-N 0 3 310.344 2.110 20 30 DEEDHN C=C(C)CN(CCNC(=O)Cc1c[nH]c2ncccc12)C1CC1 ZINC001317561507 1147725651 /nfs/dbraw/zinc/72/56/51/1147725651.db2.gz LPDBQOCGDNAKHF-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN CC[C@@H](C)[C@@H](OC)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001317606815 1147732209 /nfs/dbraw/zinc/73/22/09/1147732209.db2.gz VZVIWXVKCCMUNE-RHSMWYFYSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](NCC(=C)C)c1ccccc1 ZINC001317718923 1147747117 /nfs/dbraw/zinc/74/71/17/1147747117.db2.gz RIUXCXFSMKWHOM-WMZOPIPTSA-N 0 3 302.418 2.337 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@@H](C)O ZINC001317740413 1147748458 /nfs/dbraw/zinc/74/84/58/1147748458.db2.gz MHGZYZQVSPAIFO-TWMKSMIVSA-N 0 3 308.466 2.425 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cnsn2)C1 ZINC001317924580 1147761359 /nfs/dbraw/zinc/76/13/59/1147761359.db2.gz WMSZZBBWSHVXJT-CYBMUJFWSA-N 0 3 308.451 2.479 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001317970878 1147763899 /nfs/dbraw/zinc/76/38/99/1147763899.db2.gz ORHCAUFSPMYKAD-CVEARBPZSA-N 0 3 316.449 2.001 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001318205440 1147795922 /nfs/dbraw/zinc/79/59/22/1147795922.db2.gz HFNXZBVLCHQQFV-BQFCYCMXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001318205441 1147796308 /nfs/dbraw/zinc/79/63/08/1147796308.db2.gz HFNXZBVLCHQQFV-XYJFISCASA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n(C)n1 ZINC001318232645 1147801921 /nfs/dbraw/zinc/80/19/21/1147801921.db2.gz JNWCYRKGYNNQRP-KBMXLJTQSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001318241524 1147803047 /nfs/dbraw/zinc/80/30/47/1147803047.db2.gz YTAPISIYTDWQMR-KRWDZBQOSA-N 0 3 302.418 2.197 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC001318384692 1147818930 /nfs/dbraw/zinc/81/89/30/1147818930.db2.gz AQRVYQAFIBKRPI-JKSUJKDBSA-N 0 3 315.417 2.148 20 30 DEEDHN CCc1ncoc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001368023488 1147832865 /nfs/dbraw/zinc/83/28/65/1147832865.db2.gz XQTCQAGZRUZCKE-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccsc2COC)CC1 ZINC001324870116 1147854575 /nfs/dbraw/zinc/85/45/75/1147854575.db2.gz UXEYTHIUEZTGBA-UHFFFAOYSA-N 0 3 320.458 2.360 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2CCC(OC)CC2)C1 ZINC001324957239 1147861829 /nfs/dbraw/zinc/86/18/29/1147861829.db2.gz JQHYNIKWFRSSOI-TVPLGVNVSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001325139077 1147879413 /nfs/dbraw/zinc/87/94/13/1147879413.db2.gz ZLPMEOAJAFQKEV-VQIMIIECSA-N 0 3 316.445 2.228 20 30 DEEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)n(-c2ccc(C)cc2)n1 ZINC001325764285 1147997071 /nfs/dbraw/zinc/99/70/71/1147997071.db2.gz LONNHLBUUWMWQL-OAHLLOKOSA-N 0 3 311.389 2.449 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C=C)c3ccccc3)C[C@@H]2C1 ZINC001325778950 1147999239 /nfs/dbraw/zinc/99/92/39/1147999239.db2.gz NCGCWHFTODVAPY-QRQLOZEOSA-N 0 3 308.425 2.370 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CC3(C(F)(F)F)CC3)C2)CC1 ZINC001326585048 1148150644 /nfs/dbraw/zinc/15/06/44/1148150644.db2.gz AEHUHJRCOPADCW-UHFFFAOYSA-N 0 3 314.351 2.277 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCCC[C@H]2C)CCC1 ZINC001326875564 1148278389 /nfs/dbraw/zinc/27/83/89/1148278389.db2.gz NLBNONFDTAOUKM-CVEARBPZSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H]2CCO[C@H](CC)C2)CCC1 ZINC001326911692 1148288490 /nfs/dbraw/zinc/28/84/90/1148288490.db2.gz VAAUATTVAWRJEK-JKSUJKDBSA-N 0 3 306.450 2.234 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C23CCC(CC2)C3(C)C)CCO1 ZINC001327033287 1148313954 /nfs/dbraw/zinc/31/39/54/1148313954.db2.gz DVYGHHUQTKNQKR-WUJZJPHMSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC001327053166 1148317580 /nfs/dbraw/zinc/31/75/80/1148317580.db2.gz OUNJMVDPHJRXKO-MSOLQXFVSA-N 0 3 302.418 2.169 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCO1 ZINC001327080645 1148322150 /nfs/dbraw/zinc/32/21/50/1148322150.db2.gz LTBWZXIUSHNXOU-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)CCC2CCC2)CC1 ZINC001327116305 1148329039 /nfs/dbraw/zinc/32/90/39/1148329039.db2.gz VMRTZPWHMQQOQX-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC001327155053 1148339415 /nfs/dbraw/zinc/33/94/15/1148339415.db2.gz BRYNTIAKELLWSQ-AEFFLSMTSA-N 0 3 314.429 2.196 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000278332994 214094848 /nfs/dbraw/zinc/09/48/48/214094848.db2.gz JKUXJOYSLANHSP-KRWDZBQOSA-N 0 3 312.417 2.374 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000424095768 230596261 /nfs/dbraw/zinc/59/62/61/230596261.db2.gz OAFLZNHNNUOMEZ-SNVBAGLBSA-N 0 3 301.268 2.387 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCCC#N)C1 ZINC000612380057 361809019 /nfs/dbraw/zinc/80/90/19/361809019.db2.gz QSYCTPRXUWMUFG-MRXNPFEDSA-N 0 3 300.406 2.206 20 30 DEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)Cc1ccccn1 ZINC000355405452 290629822 /nfs/dbraw/zinc/62/98/22/290629822.db2.gz AKXJIBANTUYYGK-GJZGRUSLSA-N 0 3 300.406 2.197 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H]2CCC[C@H]21 ZINC000625345779 365739671 /nfs/dbraw/zinc/73/96/71/365739671.db2.gz ZABQKQNHKQQFFP-RHSMWYFYSA-N 0 3 308.381 2.160 20 30 DEEDHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329694595 282259797 /nfs/dbraw/zinc/25/97/97/282259797.db2.gz CSJWQRYZUZLGLB-OUCADQQQSA-N 0 3 310.442 2.070 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H](CCO)C2CCCCC2)c1 ZINC000181512218 199308879 /nfs/dbraw/zinc/30/88/79/199308879.db2.gz BPOYFRQBLHHJDG-KRWDZBQOSA-N 0 3 315.417 2.418 20 30 DEEDHN CN1CCN(Cc2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713326 529774387 /nfs/dbraw/zinc/77/43/87/529774387.db2.gz ISVBNYVSLXWVOP-MOPGFXCFSA-N 0 3 312.461 2.216 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000614596533 362417081 /nfs/dbraw/zinc/41/70/81/362417081.db2.gz RFOBXFBCHJRXPY-YOEHRIQHSA-N 0 3 322.474 2.274 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)C(C)C ZINC000615575112 362643694 /nfs/dbraw/zinc/64/36/94/362643694.db2.gz ZDOGLMUFXWDXLU-WBVHZDCISA-N 0 3 322.428 2.332 20 30 DEEDHN CO[C@@]1(C)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000330996710 232300744 /nfs/dbraw/zinc/30/07/44/232300744.db2.gz OWXDQFLBSVVYCF-HNNXBMFYSA-N 0 3 307.419 2.449 20 30 DEEDHN CC(C)n1nccc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000134154284 539509518 /nfs/dbraw/zinc/50/95/18/539509518.db2.gz GJQODWJOGCWFAY-GFCCVEGCSA-N 0 3 312.377 2.272 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000181217975 334965401 /nfs/dbraw/zinc/96/54/01/334965401.db2.gz VUSOTHCHLZQZFN-INIZCTEOSA-N 0 3 309.454 2.285 20 30 DEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN(C)C ZINC000358502259 535089245 /nfs/dbraw/zinc/08/92/45/535089245.db2.gz OYGPTLQLWAZXKD-CQSZACIVSA-N 0 3 302.422 2.428 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(CN)o1)C(C)C ZINC000236690114 539738476 /nfs/dbraw/zinc/73/84/76/539738476.db2.gz AMEBLYAUSXZUCO-OAHLLOKOSA-N 0 3 305.422 2.167 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC(C)(C)[C@@H]3CCC[C@H]32)C1 ZINC000328875136 539911699 /nfs/dbraw/zinc/91/16/99/539911699.db2.gz RXDPHOFVNMMJIW-BZUAXINKSA-N 0 3 321.465 2.464 20 30 DEEDHN N#Cc1cccc(CNCc2ccnc(N3CCOCC3)c2)c1 ZINC000030900333 354130416 /nfs/dbraw/zinc/13/04/16/354130416.db2.gz YRWZRJOAEBOIFX-UHFFFAOYSA-N 0 3 308.385 2.080 20 30 DEEDHN CN1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000047773486 354329430 /nfs/dbraw/zinc/32/94/30/354329430.db2.gz HQPPLZQQALHNQC-UHFFFAOYSA-N 0 3 303.431 2.002 20 30 DEEDHN Cc1nn(C)c2ncc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc12 ZINC000049405657 354361343 /nfs/dbraw/zinc/36/13/43/354361343.db2.gz BFHOEGDYFGJHHH-AWEZNQCLSA-N 0 3 320.356 2.174 20 30 DEEDHN CN(CCNC(=O)NCC#Cc1ccccc1)Cc1ccccc1 ZINC000054761844 354471853 /nfs/dbraw/zinc/47/18/53/354471853.db2.gz WZXJIAQXSWMMGS-UHFFFAOYSA-N 0 3 321.424 2.469 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 ZINC000057169969 354559757 /nfs/dbraw/zinc/55/97/57/354559757.db2.gz RZRGLTIJDWZQJH-UHFFFAOYSA-N 0 3 323.396 2.303 20 30 DEEDHN C=CCc1ccc(OCC(=O)NCCN(C)C2CC2)c(OC)c1 ZINC000063118185 354640015 /nfs/dbraw/zinc/64/00/15/354640015.db2.gz AVDZVBCMKWSVCM-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN N#Cc1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1 ZINC000060242048 354608962 /nfs/dbraw/zinc/60/89/62/354608962.db2.gz XVUXGQOUTXLGTA-UHFFFAOYSA-N 0 3 313.445 2.493 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(OCc2ccccc2)cc1 ZINC000064615583 354670876 /nfs/dbraw/zinc/67/08/76/354670876.db2.gz WNGVOQMNUNWBCK-UHFFFAOYSA-N 0 3 322.408 2.495 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)CC1CCC1 ZINC000065161438 354679036 /nfs/dbraw/zinc/67/90/36/354679036.db2.gz FCOSZUDWQXQTEJ-UHFFFAOYSA-N 0 3 315.417 2.301 20 30 DEEDHN CCN(CC#N)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068231687 354804519 /nfs/dbraw/zinc/80/45/19/354804519.db2.gz JBXCHFUJWVBMMS-HNNXBMFYSA-N 0 3 303.381 2.410 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCS1 ZINC000075196009 355072742 /nfs/dbraw/zinc/07/27/42/355072742.db2.gz WXRWKAKZIVVYKT-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN C=CCCOCCN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000090884064 355569002 /nfs/dbraw/zinc/56/90/02/355569002.db2.gz JVXXMYQHQACZEM-IEBWSBKVSA-N 0 3 318.461 2.458 20 30 DEEDHN C[C@@H](CNc1ccc2cc(C#N)ccc2n1)N1CCN(C)CC1 ZINC000092894383 355655237 /nfs/dbraw/zinc/65/52/37/355655237.db2.gz NWLKVOVGKNFGCP-AWEZNQCLSA-N 0 3 309.417 2.154 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000182072390 356108365 /nfs/dbraw/zinc/10/83/65/356108365.db2.gz XFAWFNLHAUOCGY-ZBFHGGJFSA-N 0 3 323.481 2.213 20 30 DEEDHN CCCCN(CCCO)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000182138063 356111835 /nfs/dbraw/zinc/11/18/35/356111835.db2.gz MZTQUJUTBBSRAJ-OAHLLOKOSA-N 0 3 309.454 2.202 20 30 DEEDHN C=CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182245754 356116542 /nfs/dbraw/zinc/11/65/42/356116542.db2.gz SAVRBONNPBLWEH-CQSZACIVSA-N 0 3 306.362 2.233 20 30 DEEDHN N#CC[C@@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000595610236 358500857 /nfs/dbraw/zinc/50/08/57/358500857.db2.gz UKPNAZAVOJUUEZ-HOCLYGCPSA-N 0 3 306.381 2.329 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000445769461 283146877 /nfs/dbraw/zinc/14/68/77/283146877.db2.gz ZPAGFZQQJAPLAV-CHWSQXEVSA-N 0 3 323.343 2.293 20 30 DEEDHN C[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000315420858 356423354 /nfs/dbraw/zinc/42/33/54/356423354.db2.gz INVLVQXENSMEGT-LBPRGKRZSA-N 0 3 315.398 2.056 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc(F)c(F)c2)cc1 ZINC000321604956 356450053 /nfs/dbraw/zinc/45/00/53/356450053.db2.gz RSCGXTYKSJIVRV-CQSZACIVSA-N 0 3 318.323 2.366 20 30 DEEDHN C=C[C@H](C(=O)OC)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382581691 356677040 /nfs/dbraw/zinc/67/70/40/356677040.db2.gz NDNHXAAABBRAIV-NVXWUHKLSA-N 0 3 302.418 2.310 20 30 DEEDHN CC(C)O[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000404689039 356733960 /nfs/dbraw/zinc/73/39/60/356733960.db2.gz HWDSHQQXKMEFQW-WMZOPIPTSA-N 0 3 318.417 2.187 20 30 DEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CNC ZINC000237183727 202180798 /nfs/dbraw/zinc/18/07/98/202180798.db2.gz TUJYDTIMRBBFCT-UHFFFAOYSA-N 0 3 315.186 2.322 20 30 DEEDHN CC(=O)c1ccc(OC[C@H](O)CNCC(C)(C)CC#N)cc1 ZINC000579112521 356922891 /nfs/dbraw/zinc/92/28/91/356922891.db2.gz IZVLVELVDOYPKQ-OAHLLOKOSA-N 0 3 304.390 2.158 20 30 DEEDHN N#CCC1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000581603429 357214304 /nfs/dbraw/zinc/21/43/04/357214304.db2.gz WPMNHNIRIUGMHF-UHFFFAOYSA-N 0 3 302.334 2.207 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)C2)cc1 ZINC000588289725 357405506 /nfs/dbraw/zinc/40/55/06/357405506.db2.gz LHFBMUGVFYEVRB-LLVKDONJSA-N 0 3 321.402 2.246 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000590829700 357623223 /nfs/dbraw/zinc/62/32/23/357623223.db2.gz DQGUDFLTWLQVEQ-GOEBONIOSA-N 0 3 310.417 2.144 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000591040863 357665553 /nfs/dbraw/zinc/66/55/53/357665553.db2.gz SRKHAFLBNMFYEF-HZSPNIEDSA-N 0 3 319.430 2.272 20 30 DEEDHN C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000591470890 357728199 /nfs/dbraw/zinc/72/81/99/357728199.db2.gz VKFRNBHNLIXFPB-XJKSGUPXSA-N 0 3 300.406 2.355 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000591241195 357694212 /nfs/dbraw/zinc/69/42/12/357694212.db2.gz LGBOHLZTHHPSPC-UKRRQHHQSA-N 0 3 323.437 2.159 20 30 DEEDHN CN(Cc1ccccc1)C[C@H](O)CNCc1cccc(C#N)c1 ZINC000591724810 357754360 /nfs/dbraw/zinc/75/43/60/357754360.db2.gz FFDSZAPCJMEHKV-LJQANCHMSA-N 0 3 309.413 2.141 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866527 357771716 /nfs/dbraw/zinc/77/17/16/357771716.db2.gz BMNGDPSLBPIFBC-CVEARBPZSA-N 0 3 304.438 2.333 20 30 DEEDHN Cc1ccccc1CN1CCCN(c2ncncc2C#N)CC1 ZINC000591894897 357783421 /nfs/dbraw/zinc/78/34/21/357783421.db2.gz MCOWFUCBIKUEQL-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CCCN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CCN(C)C1 ZINC000592829746 357953242 /nfs/dbraw/zinc/95/32/42/357953242.db2.gz XPQFQTBKMRLMHD-AWEZNQCLSA-N 0 3 303.381 2.183 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000179658452 199071701 /nfs/dbraw/zinc/07/17/01/199071701.db2.gz SUMBHBXWOZYJID-OAHLLOKOSA-N 0 3 302.374 2.152 20 30 DEEDHN CC[C@H](C)C[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592875699 357967639 /nfs/dbraw/zinc/96/76/39/357967639.db2.gz VFQYAIVGWBWAAJ-JQFCIGGWSA-N 0 3 313.401 2.154 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC([C@@H](C)CO)CC1 ZINC000593085693 358005841 /nfs/dbraw/zinc/00/58/41/358005841.db2.gz VIFKLOMUGCNOIU-AWEZNQCLSA-N 0 3 318.417 2.286 20 30 DEEDHN COC(=O)[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1C1CC1 ZINC000593128862 358017645 /nfs/dbraw/zinc/01/76/45/358017645.db2.gz DISIKECKNDCTQI-DLBZAZTESA-N 0 3 301.361 2.308 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000593410641 358072305 /nfs/dbraw/zinc/07/23/05/358072305.db2.gz WPGXCCZAIVKIEZ-MRXNPFEDSA-N 0 3 314.433 2.312 20 30 DEEDHN CCC(C#N)C(=O)N(CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000593444144 358079780 /nfs/dbraw/zinc/07/97/80/358079780.db2.gz WIKWVJHHIDQLNE-LBPRGKRZSA-N 0 3 308.765 2.391 20 30 DEEDHN CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1ccc(OC)c(F)c1 ZINC000593617454 358112145 /nfs/dbraw/zinc/11/21/45/358112145.db2.gz MAWDTAHQVACOJF-YGRLFVJLSA-N 0 3 322.336 2.104 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000593743760 358134971 /nfs/dbraw/zinc/13/49/71/358134971.db2.gz DNGOUFCEOGTXCY-GFCCVEGCSA-N 0 3 305.378 2.124 20 30 DEEDHN CC[C@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000594571062 358295446 /nfs/dbraw/zinc/29/54/46/358295446.db2.gz DHCMMTMBOQCVOT-INIZCTEOSA-N 0 3 307.401 2.449 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000594654679 358312080 /nfs/dbraw/zinc/31/20/80/358312080.db2.gz VTTGVSNKMZVLQJ-INIZCTEOSA-N 0 3 300.402 2.466 20 30 DEEDHN N#Cc1ccc(CCNCc2cnc(N3CCCC3)nc2)cc1 ZINC000594955020 358368556 /nfs/dbraw/zinc/36/85/56/358368556.db2.gz KNGXKPJTFZAJEV-UHFFFAOYSA-N 0 3 307.401 2.281 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000595657938 358514204 /nfs/dbraw/zinc/51/42/04/358514204.db2.gz CTTXJLQGJPYKKX-AWEZNQCLSA-N 0 3 307.438 2.433 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H]1[C@H](C)CO ZINC000595675477 358520062 /nfs/dbraw/zinc/52/00/62/358520062.db2.gz NBQKFWMBAVANFA-ZBFHGGJFSA-N 0 3 318.417 2.429 20 30 DEEDHN CC(C)OCCN1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595334091 358425239 /nfs/dbraw/zinc/42/52/39/358425239.db2.gz VTTLGUSMOVDODM-UHFFFAOYSA-N 0 3 301.434 2.143 20 30 DEEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@]1(C)CO ZINC000595871048 358568239 /nfs/dbraw/zinc/56/82/39/358568239.db2.gz HOAZJRDMHFELAC-IFXJQAMLSA-N 0 3 324.428 2.409 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(C#N)c(C)c2)CCOCC1 ZINC000595876269 358569333 /nfs/dbraw/zinc/56/93/33/358569333.db2.gz BHASOJLHVFILJC-UHFFFAOYSA-N 0 3 316.401 2.459 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1cc(C#N)cnn1 ZINC000596157964 358625423 /nfs/dbraw/zinc/62/54/23/358625423.db2.gz KWRCFZMQRCZNKA-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000618854405 363617565 /nfs/dbraw/zinc/61/75/65/363617565.db2.gz WFNMELAGXDWIBZ-AEFFLSMTSA-N 0 3 324.428 2.425 20 30 DEEDHN CC(C#N)C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000597747391 358996572 /nfs/dbraw/zinc/99/65/72/358996572.db2.gz DFHFALLNYOJTRX-AMIZOPFISA-N 0 3 301.173 2.477 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000598342743 359170555 /nfs/dbraw/zinc/17/05/55/359170555.db2.gz PUHPFQWIUZYLMV-OAHLLOKOSA-N 0 3 324.384 2.427 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000598604376 359259190 /nfs/dbraw/zinc/25/91/90/359259190.db2.gz MBOFGOFHQSATRM-CRAIPNDOSA-N 0 3 300.402 2.419 20 30 DEEDHN CC(C)n1cc([C@@H]2OCC[C@H]2NC[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598623006 359264818 /nfs/dbraw/zinc/26/48/18/359264818.db2.gz QUNPRTDFJXBUMV-XHSDSOJGSA-N 0 3 320.437 2.184 20 30 DEEDHN COC(=O)CCCCN1CCCN(c2ccccc2C#N)CC1 ZINC000599262339 359443494 /nfs/dbraw/zinc/44/34/94/359443494.db2.gz DORMCMKGJXMNSQ-UHFFFAOYSA-N 0 3 315.417 2.414 20 30 DEEDHN COC(=O)[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)Cc2ccccc21 ZINC000599684161 359571526 /nfs/dbraw/zinc/57/15/26/359571526.db2.gz UGUOBAPKLVZJCJ-HOCLYGCPSA-N 0 3 316.401 2.060 20 30 DEEDHN C=CCC[C@@H](C(=O)NC[C@](C)(O)CN(C)C)c1ccccc1 ZINC000187159530 200069718 /nfs/dbraw/zinc/06/97/18/200069718.db2.gz MZMXAVNOGQMMNC-AEFFLSMTSA-N 0 3 304.434 2.165 20 30 DEEDHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc(C#N)c1 ZINC000429295135 237377018 /nfs/dbraw/zinc/37/70/18/237377018.db2.gz AOITZSVXIOQEQU-LRDDRELGSA-N 0 3 321.380 2.348 20 30 DEEDHN N#C[C@H]1CC[C@H](NCc2ccnc(N3CCSCC3)c2)C1 ZINC000601302644 359999455 /nfs/dbraw/zinc/99/94/55/359999455.db2.gz UCOBKCCZWYUZIL-ZFWWWQNUSA-N 0 3 302.447 2.417 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189141689 200355350 /nfs/dbraw/zinc/35/53/50/200355350.db2.gz UNNYEFHTKQYXBS-MSOLQXFVSA-N 0 3 300.402 2.483 20 30 DEEDHN Cc1ncc([C@@H](C)NC[C@H](O)COc2ccccc2C#N)s1 ZINC000601968911 360213423 /nfs/dbraw/zinc/21/34/23/360213423.db2.gz OKPWWANHHIMRIU-RISCZKNCSA-N 0 3 317.414 2.414 20 30 DEEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(=O)[nH]c3)CC2)cc1 ZINC000602431510 360369338 /nfs/dbraw/zinc/36/93/38/360369338.db2.gz SALCJILDXMEMHE-UHFFFAOYSA-N 0 3 322.412 2.367 20 30 DEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602653208 360477549 /nfs/dbraw/zinc/47/75/49/360477549.db2.gz NIWHSKMHZUSFJE-KDOFPFPSSA-N 0 3 323.396 2.463 20 30 DEEDHN CN1CC[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)C1 ZINC000609590248 361325364 /nfs/dbraw/zinc/32/53/64/361325364.db2.gz GPMPRZWKYTVVPG-GWCFXTLKSA-N 0 3 322.206 2.082 20 30 DEEDHN C=CCOc1c(Cl)cc(CN(C)CCC(N)=O)cc1OC ZINC000628275559 366790805 /nfs/dbraw/zinc/79/08/05/366790805.db2.gz RPYLVBNMTYUAPY-UHFFFAOYSA-N 0 3 312.797 2.221 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN([C@@H]3CCCOC3)CC2)c1 ZINC000610569990 361423796 /nfs/dbraw/zinc/42/37/96/361423796.db2.gz LHOZEWCJQNDWQX-QGZVFWFLSA-N 0 3 313.401 2.388 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000611205296 361548518 /nfs/dbraw/zinc/54/85/18/361548518.db2.gz SNTNMOGVLYOFDF-ZFWWWQNUSA-N 0 3 301.390 2.244 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)COCC1CC1 ZINC000611392202 361589202 /nfs/dbraw/zinc/58/92/02/361589202.db2.gz JVMQMSLHCAOKDE-WMZOPIPTSA-N 0 3 300.402 2.313 20 30 DEEDHN CS(=O)(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 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CCOCCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000621705676 364516475 /nfs/dbraw/zinc/51/64/75/364516475.db2.gz QQXGPHMLBDZVEX-ZDUSSCGKSA-N 0 3 323.356 2.286 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292992683 223341981 /nfs/dbraw/zinc/34/19/81/223341981.db2.gz OBOCMAYZGJPFBL-CXAGYDPISA-N 0 3 311.389 2.040 20 30 DEEDHN C=CCNc1ncc(C(=O)N[C@H](CC)CN2CCCC2)s1 ZINC000676339562 541444315 /nfs/dbraw/zinc/44/43/15/541444315.db2.gz SLPWQHJNCBUNIN-GFCCVEGCSA-N 0 3 308.451 2.345 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000677480539 541594534 /nfs/dbraw/zinc/59/45/34/541594534.db2.gz YUXKGTZNCVZSRW-MRXNPFEDSA-N 0 3 309.454 2.020 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000275209967 212197161 /nfs/dbraw/zinc/19/71/61/212197161.db2.gz JOMYLUXMTLOLBB-UHOFOFEASA-N 0 3 301.390 2.432 20 30 DEEDHN CS[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000275154331 212156107 /nfs/dbraw/zinc/15/61/07/212156107.db2.gz SODCMOSWKUZADQ-HOTGVXAUSA-N 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UMHAJPBWUYPLGX-YHYXMXQVSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C=Cc1c[nH]cn1)C(C)C ZINC000492812420 249145720 /nfs/dbraw/zinc/14/57/20/249145720.db2.gz MMDXRIRARMMYAI-XITLMJRVSA-N 0 3 302.422 2.238 20 30 DEEDHN CN(CCCSCC#N)CCN(C)C(=O)OC(C)(C)C ZINC000494148851 249473730 /nfs/dbraw/zinc/47/37/30/249473730.db2.gz RPUWILVEXYLPQR-UHFFFAOYSA-N 0 3 301.456 2.432 20 30 DEEDHN CC(C)[C@H](CCO)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000274059092 211315854 /nfs/dbraw/zinc/31/58/54/211315854.db2.gz QEQLWGBYSAMJGY-ZDUSSCGKSA-N 0 3 309.797 2.147 20 30 DEEDHN CN(C)[C@@H](CNC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000105075318 194069998 /nfs/dbraw/zinc/06/99/98/194069998.db2.gz UHGAICMVIRRLGE-INIZCTEOSA-N 0 3 300.406 2.234 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(OC)cc2)CC1 ZINC000106039846 194181235 /nfs/dbraw/zinc/18/12/35/194181235.db2.gz LYIKYTTVTWUGKU-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2cn3ccsc3n2)CC1 ZINC000106291197 194193360 /nfs/dbraw/zinc/19/33/60/194193360.db2.gz XFVHNOSCXOSGLR-UHFFFAOYSA-N 0 3 318.446 2.095 20 30 DEEDHN COCCN1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285180920 218322496 /nfs/dbraw/zinc/32/24/96/218322496.db2.gz USGHIPGRGIJCAN-UHFFFAOYSA-N 0 3 321.808 2.052 20 30 DEEDHN C=CCOc1ccc(CN2CCN(CCO)C(C)(C)C2)cc1 ZINC000682166660 542273118 /nfs/dbraw/zinc/27/31/18/542273118.db2.gz ROWSDIYUGKBDSB-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN CS[C@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1N(C)C ZINC000286085975 218784351 /nfs/dbraw/zinc/78/43/51/218784351.db2.gz BYLUDJCTPTZPCC-APPZFPTMSA-N 0 3 302.856 2.150 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 ZINC000270048732 208104638 /nfs/dbraw/zinc/10/46/38/208104638.db2.gz LQPUYTZSARNIDQ-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NC[C@H]3CCCOC3)C2=O)cc1 ZINC000541871100 285192741 /nfs/dbraw/zinc/19/27/41/285192741.db2.gz GFADGJDZSMYZDS-NVXWUHKLSA-N 0 3 313.401 2.070 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000543691596 285303133 /nfs/dbraw/zinc/30/31/33/285303133.db2.gz YRWMJJJOASJPFP-BONVTDFDSA-N 0 3 303.793 2.424 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1OCC ZINC001368657681 1148555701 /nfs/dbraw/zinc/55/57/01/1148555701.db2.gz LGTICZINDXQOQR-KBUPBQIOSA-N 0 3 314.857 2.238 20 30 DEEDHN CCC(CC)(CC)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289754874 221204038 /nfs/dbraw/zinc/20/40/38/221204038.db2.gz HSHIXLUITIABLC-UHFFFAOYSA-N 0 3 309.435 2.285 20 30 DEEDHN CS(=O)(=O)c1ccc(OCCN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000447529801 533451925 /nfs/dbraw/zinc/45/19/25/533451925.db2.gz MRVUKNLAGUGCON-UONOGXRCSA-N 0 3 322.430 2.141 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC2(CC1)OCCCO2 ZINC000293010071 533495511 /nfs/dbraw/zinc/49/55/11/533495511.db2.gz NYUZYDUMRMGKRF-UHFFFAOYSA-N 0 3 302.374 2.296 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000685844721 542760050 /nfs/dbraw/zinc/76/00/50/542760050.db2.gz HKTMVDSYHHKTLF-QGZVFWFLSA-N 0 3 308.466 2.476 20 30 DEEDHN CCOc1ccc(C#N)cc1NC1CCN(CCOC)CC1 ZINC000359967444 133155605 /nfs/dbraw/zinc/15/56/05/133155605.db2.gz XBSNSAJPUZMICT-UHFFFAOYSA-N 0 3 303.406 2.480 20 30 DEEDHN Cc1nc(N2CCC(OCCN(C)C)CC2)c(Cl)cc1C#N ZINC000360046076 133159220 /nfs/dbraw/zinc/15/92/20/133159220.db2.gz FMWBYMZLPGYTIT-UHFFFAOYSA-N 0 3 322.840 2.462 20 30 DEEDHN Cc1nc(N2CC[C@@H](OCCN(C)C)C2)c(Cl)cc1C#N ZINC000360068616 133160001 /nfs/dbraw/zinc/16/00/01/133160001.db2.gz ALXNCHIXKMGLDS-CYBMUJFWSA-N 0 3 308.813 2.072 20 30 DEEDHN C[C@H]1CN(C2CCN(Cc3cccc(F)c3C#N)CC2)CCO1 ZINC000362294358 133222309 /nfs/dbraw/zinc/22/23/09/133222309.db2.gz FKWJTXMCEQSWRZ-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN N#Cc1cc(F)ccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000373117296 133378017 /nfs/dbraw/zinc/37/80/17/133378017.db2.gz FCPQTSIDWDHIQJ-ZWKOTPCHSA-N 0 3 317.408 2.430 20 30 DEEDHN N#Cc1cc(F)ccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373117295 133378416 /nfs/dbraw/zinc/37/84/16/133378416.db2.gz FCPQTSIDWDHIQJ-ROUUACIJSA-N 0 3 317.408 2.430 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(O)CCC2)C1 ZINC000329859203 404474809 /nfs/dbraw/zinc/47/48/09/404474809.db2.gz WMZUQXRFJUOJCE-GDBMZVCRSA-N 0 3 317.433 2.241 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CN2CCc3ccccc3C2=O)CCN1C ZINC000329877525 404479821 /nfs/dbraw/zinc/47/98/21/404479821.db2.gz JKTSHXZGGDYVDZ-HIFRSBDPSA-N 0 3 315.417 2.124 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CN2CCc3ccccc3C2=O)CCN1C ZINC000329877526 404479962 /nfs/dbraw/zinc/47/99/62/404479962.db2.gz JKTSHXZGGDYVDZ-UKRRQHHQSA-N 0 3 315.417 2.124 20 30 DEEDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccccc1C#N ZINC000119380065 144664255 /nfs/dbraw/zinc/66/42/55/144664255.db2.gz GFCVHPWIYVCJAC-UHFFFAOYSA-N 0 3 323.462 2.301 20 30 DEEDHN CCCN(CCN1CCO[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC000249005780 145175762 /nfs/dbraw/zinc/17/57/62/145175762.db2.gz HYIANWVVJCMIAP-INIZCTEOSA-N 0 3 301.434 2.491 20 30 DEEDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(C#N)cc1 ZINC000319989576 145373355 /nfs/dbraw/zinc/37/33/55/145373355.db2.gz YGUITGZSVNEKAW-DYVFJYSZSA-N 0 3 310.401 2.475 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346176828 146031378 /nfs/dbraw/zinc/03/13/78/146031378.db2.gz ZYAWACYZNOQHBN-MQIPJXDCSA-N 0 3 301.390 2.262 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348139828 146223070 /nfs/dbraw/zinc/22/30/70/146223070.db2.gz WETISCKCBBLMQX-MBNYWOFBSA-N 0 3 319.405 2.500 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348139828 146223071 /nfs/dbraw/zinc/22/30/71/146223071.db2.gz WETISCKCBBLMQX-MBNYWOFBSA-N 0 3 319.405 2.500 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2cnccc2C#N)cc1 ZINC000358411212 147128690 /nfs/dbraw/zinc/12/86/90/147128690.db2.gz MBLCRSYXLHGPJQ-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(F)F ZINC000359044647 147252662 /nfs/dbraw/zinc/25/26/62/147252662.db2.gz IVSXHCQYNOTBSY-IUODEOHRSA-N 0 3 321.371 2.350 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000359106943 147263061 /nfs/dbraw/zinc/26/30/61/147263061.db2.gz ORHMMGFKSQVAET-CJNGLKHVSA-N 0 3 308.385 2.452 20 30 DEEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000374412003 148243568 /nfs/dbraw/zinc/24/35/68/148243568.db2.gz OXMMLAPZDVQNFP-HOTGVXAUSA-N 0 3 324.384 2.467 20 30 DEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]C[C@@H]1CCCCS1 ZINC000329902443 404487920 /nfs/dbraw/zinc/48/79/20/404487920.db2.gz HRLHMMLVURQFBL-STQMWFEESA-N 0 3 308.451 2.235 20 30 DEEDHN [O-]C(NC[C@@H]1CCCCS1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329902443 404487928 /nfs/dbraw/zinc/48/79/28/404487928.db2.gz HRLHMMLVURQFBL-STQMWFEESA-N 0 3 308.451 2.235 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000128162192 401765344 /nfs/dbraw/zinc/76/53/44/401765344.db2.gz BPBYTSVSSBASIB-UHFFFAOYSA-N 0 3 312.417 2.344 20 30 DEEDHN N#CC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000115151708 401819824 /nfs/dbraw/zinc/81/98/24/401819824.db2.gz YCUYMHJMCYGQIB-CQSZACIVSA-N 0 3 301.365 2.210 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000115603242 401833750 /nfs/dbraw/zinc/83/37/50/401833750.db2.gz DGSNHURSXDNUNI-UONOGXRCSA-N 0 3 303.406 2.354 20 30 DEEDHN COCCOC1CCN(CCOc2ccccc2C#N)CC1 ZINC000116884921 401863261 /nfs/dbraw/zinc/86/32/61/401863261.db2.gz FUQZZVDAGYOVTQ-UHFFFAOYSA-N 0 3 304.390 2.064 20 30 DEEDHN C=CC[C@H](C)NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000116971488 401866038 /nfs/dbraw/zinc/86/60/38/401866038.db2.gz RZLJNHKIXRYRAE-JYJNAYRXSA-N 0 3 323.481 2.482 20 30 DEEDHN C#CCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000077375573 401812510 /nfs/dbraw/zinc/81/25/10/401812510.db2.gz XPAAZQLNYNPFLE-NSHDSACASA-N 0 3 322.206 2.128 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000077373500 401812650 /nfs/dbraw/zinc/81/26/50/401812650.db2.gz BOQFRFMDBYCYGD-UHFFFAOYSA-N 0 3 321.446 2.021 20 30 DEEDHN Cc1nc(C(=O)NCc2cccc(CN(C)C)c2)ccc1C#N ZINC000033089690 401888564 /nfs/dbraw/zinc/88/85/64/401888564.db2.gz JNFDYZQNMQJQHV-UHFFFAOYSA-N 0 3 308.385 2.253 20 30 DEEDHN COC(=O)[C@@H](C)CN(Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000135029502 401924141 /nfs/dbraw/zinc/92/41/41/401924141.db2.gz AMDRVBQVCYHORU-LBPRGKRZSA-N 0 3 302.374 2.340 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccccc1C#N)N1CCC[C@H](C)C1 ZINC000046953667 401976431 /nfs/dbraw/zinc/97/64/31/401976431.db2.gz QEEBRVBSNMHRIP-GJZGRUSLSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000121252587 402023524 /nfs/dbraw/zinc/02/35/24/402023524.db2.gz KHNORADNMJPYIE-IRXDYDNUSA-N 0 3 321.465 2.284 20 30 DEEDHN C#CCSCCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000121471153 402038801 /nfs/dbraw/zinc/03/88/01/402038801.db2.gz PXMVSZDRJTZCIO-UHFFFAOYSA-N 0 3 323.462 2.028 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000150928630 402005276 /nfs/dbraw/zinc/00/52/76/402005276.db2.gz YTLDDSFJTPSGRF-WBVHZDCISA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1Cc1ccccc1 ZINC000122496125 402081748 /nfs/dbraw/zinc/08/17/48/402081748.db2.gz ONTMYRKLJJXCDQ-CZUORRHYSA-N 0 3 308.385 2.279 20 30 DEEDHN CCc1ccc([C@H](CNC(=O)c2ccc(C#N)[nH]2)N(C)C)cc1 ZINC000152291261 402087487 /nfs/dbraw/zinc/08/74/87/402087487.db2.gz UCROGFVOONBAEQ-KRWDZBQOSA-N 0 3 310.401 2.481 20 30 DEEDHN Cc1nn(C)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122802320 402095156 /nfs/dbraw/zinc/09/51/56/402095156.db2.gz WWSARFRJODBEPO-UHFFFAOYSA-N 0 3 323.444 2.308 20 30 DEEDHN Fc1ccc(C#CCN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000124719032 402193463 /nfs/dbraw/zinc/19/34/63/402193463.db2.gz AAPVVBRDRGRAIA-GOSISDBHSA-N 0 3 316.420 2.221 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCc2ccncc2)CC1 ZINC000106340888 402213335 /nfs/dbraw/zinc/21/33/35/402213335.db2.gz CDDBORXRVHTHFQ-UHFFFAOYSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCOCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000154620867 402221728 /nfs/dbraw/zinc/22/17/28/402221728.db2.gz KPNQNSQPGTVMDT-SFHVURJKSA-N 0 3 314.429 2.149 20 30 DEEDHN C=CCc1cc(CN(C)CCn2cccn2)cc(OC)c1O ZINC000125269209 402223023 /nfs/dbraw/zinc/22/30/23/402223023.db2.gz XWERNYOKEOUSKW-UHFFFAOYSA-N 0 3 301.390 2.458 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2c(C)noc2C)CC1 ZINC000107336132 402230893 /nfs/dbraw/zinc/23/08/93/402230893.db2.gz USNXEUIUTXCKQZ-UHFFFAOYSA-N 0 3 320.437 2.174 20 30 DEEDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C#N)cn2)CC1 ZINC000107441891 402232743 /nfs/dbraw/zinc/23/27/43/402232743.db2.gz WEXQBAFXVGOLBS-UHFFFAOYSA-N 0 3 324.384 2.283 20 30 DEEDHN CC(C)CN(C(=O)c1ccc(C#N)cn1)C1CCN(C)CC1 ZINC000107781326 402240365 /nfs/dbraw/zinc/24/03/65/402240365.db2.gz DXTKGJKVLNXYGX-UHFFFAOYSA-N 0 3 300.406 2.146 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069855858 402247910 /nfs/dbraw/zinc/24/79/10/402247910.db2.gz MDAUBAYEWYRSQV-MRXNPFEDSA-N 0 3 317.408 2.242 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000155380317 402254470 /nfs/dbraw/zinc/25/44/70/402254470.db2.gz MIXJMFCFEDJGBQ-SJLPKXTDSA-N 0 3 314.429 2.196 20 30 DEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000566306281 292227967 /nfs/dbraw/zinc/22/79/67/292227967.db2.gz KYJKWDHNQKQKRI-STQMWFEESA-N 0 3 302.378 2.381 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H]2CCC(=O)NC2)ccc1OC ZINC000105481590 402208496 /nfs/dbraw/zinc/20/84/96/402208496.db2.gz YBZJWVZBAJFZDY-CQSZACIVSA-N 0 3 304.390 2.018 20 30 DEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)C#Cc1ccccc1 ZINC000157234949 402293432 /nfs/dbraw/zinc/29/34/32/402293432.db2.gz RNMOVWRYRKQQGN-UHFFFAOYSA-N 0 3 322.408 2.334 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)C(C)C ZINC000160403112 402343938 /nfs/dbraw/zinc/34/39/38/402343938.db2.gz WZWSIRQTBSVYQV-SJLPKXTDSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nnc(C)s1)C(C)C ZINC000185345752 402345940 /nfs/dbraw/zinc/34/59/40/402345940.db2.gz ZOASSMZRNCYWIV-CYBMUJFWSA-N 0 3 308.451 2.275 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000186229092 402413062 /nfs/dbraw/zinc/41/30/62/402413062.db2.gz DLBCCOHFSHTPPL-SFHVURJKSA-N 0 3 313.445 2.411 20 30 DEEDHN C#CCOCCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186341246 402422921 /nfs/dbraw/zinc/42/29/21/402422921.db2.gz ZYGHYSFLJACRCS-SFHVURJKSA-N 0 3 314.429 2.149 20 30 DEEDHN CC1(O)CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177303716 402389510 /nfs/dbraw/zinc/38/95/10/402389510.db2.gz GUCQNNMXGIUQIW-UHFFFAOYSA-N 0 3 321.808 2.387 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNc1cccc(C#N)c1 ZINC000164436822 402462568 /nfs/dbraw/zinc/46/25/68/402462568.db2.gz MVIHZWAXLDMAAK-SJORKVTESA-N 0 3 312.417 2.055 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)cc2OC)C1(C)C ZINC000190016703 402570431 /nfs/dbraw/zinc/57/04/31/402570431.db2.gz JMUCPHQYGPGSGV-SJLPKXTDSA-N 0 3 318.417 2.223 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](N2CCCC2)C1 ZINC000170712420 402516205 /nfs/dbraw/zinc/51/62/05/402516205.db2.gz NOTYSQXQWAZJRR-PBHICJAKSA-N 0 3 312.417 2.055 20 30 DEEDHN CCOC(=O)N1CCC([C@@H](C)NCc2ccc(C#N)o2)CC1 ZINC000189365645 402535732 /nfs/dbraw/zinc/53/57/32/402535732.db2.gz NITKQZURRBAAAR-GFCCVEGCSA-N 0 3 305.378 2.498 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)n2cnc3ccccc32)CC1 ZINC000171719076 402614525 /nfs/dbraw/zinc/61/45/25/402614525.db2.gz WVAULOPTPQAVBQ-AWEZNQCLSA-N 0 3 312.417 2.364 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOc2ccc(OC)cc2)CC1 ZINC000171727453 402615810 /nfs/dbraw/zinc/61/58/10/402615810.db2.gz QKORTORFXDSHBE-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccncc2)CC1 ZINC000171737803 402616848 /nfs/dbraw/zinc/61/68/48/402616848.db2.gz TWMCKKSZXHHXBV-CQSZACIVSA-N 0 3 302.422 2.434 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2cccc(C#N)c2)C1 ZINC000182319058 402680898 /nfs/dbraw/zinc/68/08/98/402680898.db2.gz LJGKKZWQQJBCMH-SJORKVTESA-N 0 3 312.417 2.184 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccn(CCC#N)n1 ZINC000173375011 402694910 /nfs/dbraw/zinc/69/49/10/402694910.db2.gz VRWGIFWAKACSCM-CQSZACIVSA-N 0 3 318.425 2.183 20 30 DEEDHN CC(C)N(CCN1CCOC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000192703174 402745185 /nfs/dbraw/zinc/74/51/85/402745185.db2.gz PRVAWLMHTOIPPW-INIZCTEOSA-N 0 3 301.434 2.489 20 30 DEEDHN N#CCCCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000174625136 402748978 /nfs/dbraw/zinc/74/89/78/402748978.db2.gz DYJPRSUHKCPVLU-UHFFFAOYSA-N 0 3 314.433 2.009 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCCc2nc(C)cs2)CC1 ZINC000263870524 402814323 /nfs/dbraw/zinc/81/43/23/402814323.db2.gz MBEBGUJXCIWIJA-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN Cc1occc1C(=O)NC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278520464 402867576 /nfs/dbraw/zinc/86/75/76/402867576.db2.gz CKIKBDPKCKLSSC-UKRRQHHQSA-N 0 3 301.390 2.475 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1CC#Cc1ccc(F)cc1 ZINC000278641059 402869229 /nfs/dbraw/zinc/86/92/29/402869229.db2.gz LQZJMFOGPYCGIX-INIZCTEOSA-N 0 3 316.420 2.362 20 30 DEEDHN CN(CCN1CCN(c2ccccc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000278709268 402870037 /nfs/dbraw/zinc/87/00/37/402870037.db2.gz UFFIWXZFKYLDQP-MJGOQNOKSA-N 0 3 312.461 2.433 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1 ZINC000278716367 402870097 /nfs/dbraw/zinc/87/00/97/402870097.db2.gz USEASYHKAUINKZ-NSHDSACASA-N 0 3 321.402 2.436 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@](C)(OC)c2ccccc2)CC1 ZINC000264484989 402883174 /nfs/dbraw/zinc/88/31/74/402883174.db2.gz XDGLYPNQFBVIQX-GOSISDBHSA-N 0 3 302.418 2.315 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2ccc(N(C)C)cc2)CC1 ZINC000264521336 402886304 /nfs/dbraw/zinc/88/63/04/402886304.db2.gz WVBBHQPTZJOURN-UHFFFAOYSA-N 0 3 315.461 2.452 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2nccs2)cc1 ZINC000279378178 402936733 /nfs/dbraw/zinc/93/67/33/402936733.db2.gz SMNBAZMHRFLJPE-AWEZNQCLSA-N 0 3 310.382 2.056 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)CSc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272516457 402946927 /nfs/dbraw/zinc/94/69/27/402946927.db2.gz PHTIWVUFSAETNY-GDBMZVCRSA-N 0 3 315.442 2.203 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC#Cc2ccccc2)C1 ZINC000272516940 402947332 /nfs/dbraw/zinc/94/73/32/402947332.db2.gz YONWSXDBLJBWOK-QZTJIDSGSA-N 0 3 311.429 2.164 20 30 DEEDHN Cn1cc(CCN2CCC(Oc3cccc(C#N)c3)CC2)cn1 ZINC000265809333 402952282 /nfs/dbraw/zinc/95/22/82/402952282.db2.gz FGDAMVMMKLDDOX-UHFFFAOYSA-N 0 3 310.401 2.378 20 30 DEEDHN N#Cc1cccnc1N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000265822591 402953596 /nfs/dbraw/zinc/95/35/96/402953596.db2.gz XAEQGULPMNQUAE-ROUUACIJSA-N 0 3 322.412 2.248 20 30 DEEDHN CC[C@@H](NCCC(C)(C)C#N)c1cccc(S(N)(=O)=O)c1 ZINC000272792229 402960324 /nfs/dbraw/zinc/96/03/24/402960324.db2.gz CGDNVUQLIFWVGJ-CQSZACIVSA-N 0 3 309.435 2.315 20 30 DEEDHN Cc1ccnc(NCc2ccccc2CN2CC[C@H](O)C2)c1C#N ZINC000273295093 402991692 /nfs/dbraw/zinc/99/16/92/402991692.db2.gz GFCIROAZJBRCSU-KRWDZBQOSA-N 0 3 322.412 2.440 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3cnc[nH]3)CC2)c1 ZINC000280418414 402997719 /nfs/dbraw/zinc/99/77/19/402997719.db2.gz IMUSVSPNZTXSLG-UHFFFAOYSA-N 0 3 309.373 2.132 20 30 DEEDHN CN(C)CCOc1ccccc1N1CCN(CCCC#N)CC1 ZINC000266914126 402999351 /nfs/dbraw/zinc/99/93/51/402999351.db2.gz JYNSAQFTQQEQTJ-UHFFFAOYSA-N 0 3 316.449 2.053 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000266707699 402985236 /nfs/dbraw/zinc/98/52/36/402985236.db2.gz BOXBZJKCZGKWCN-KGLIPLIRSA-N 0 3 314.389 2.267 20 30 DEEDHN C#CCOc1ccccc1CNCCc1cn2c(n1)SCC2 ZINC000274270564 403040580 /nfs/dbraw/zinc/04/05/80/403040580.db2.gz QYABAXRLKYURRB-UHFFFAOYSA-N 0 3 313.426 2.333 20 30 DEEDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1cccc(C#N)c1 ZINC000267948432 403041649 /nfs/dbraw/zinc/04/16/49/403041649.db2.gz VKDDKFBNAIRJPO-UHFFFAOYSA-N 0 3 317.389 2.208 20 30 DEEDHN C=CCN1CC[C@@H](N[C@H](C)c2cccc(-n3cccn3)c2)C1=O ZINC000280953677 403053604 /nfs/dbraw/zinc/05/36/04/403053604.db2.gz GMRRUXGWHOBVIC-RHSMWYFYSA-N 0 3 310.401 2.310 20 30 DEEDHN Cc1cnccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000274462239 403057779 /nfs/dbraw/zinc/05/77/79/403057779.db2.gz SWAVFOCBUSORKY-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(-n3cccn3)cc2)C1=O ZINC000281149642 403059716 /nfs/dbraw/zinc/05/97/16/403059716.db2.gz JVUVTBZPRCJECD-WMLDXEAASA-N 0 3 310.401 2.310 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1 ZINC000281172729 403059961 /nfs/dbraw/zinc/05/99/61/403059961.db2.gz MWERZMSHLLEMTE-UHFFFAOYSA-N 0 3 322.412 2.416 20 30 DEEDHN COc1cc(CN[C@@H]2CCN(c3ccccn3)C2)ccc1C#N ZINC000281615696 403075545 /nfs/dbraw/zinc/07/55/45/403075545.db2.gz HCDDMGGPMJIVDZ-MRXNPFEDSA-N 0 3 308.385 2.330 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000268553968 403093894 /nfs/dbraw/zinc/09/38/94/403093894.db2.gz NPCABWPPFQPJKC-OAHLLOKOSA-N 0 3 306.406 2.109 20 30 DEEDHN C=C(C)CCN1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000274761717 403085376 /nfs/dbraw/zinc/08/53/76/403085376.db2.gz KFCLIYJLCVVDOQ-UHFFFAOYSA-N 0 3 303.406 2.347 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1O ZINC000268625831 403100703 /nfs/dbraw/zinc/10/07/03/403100703.db2.gz BAUGJSOSGXEFRW-QGZVFWFLSA-N 0 3 312.369 2.438 20 30 DEEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ncn(C)n1 ZINC000275628706 403110578 /nfs/dbraw/zinc/11/05/78/403110578.db2.gz AVNWFFXIRKYARF-AWEZNQCLSA-N 0 3 324.432 2.002 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000274873988 403096413 /nfs/dbraw/zinc/09/64/13/403096413.db2.gz UGUNZNKXGFEARI-ZBFHGGJFSA-N 0 3 313.401 2.257 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282246799 403136120 /nfs/dbraw/zinc/13/61/20/403136120.db2.gz JICHDCUAWVSRJA-MRXNPFEDSA-N 0 3 315.417 2.305 20 30 DEEDHN CC(C)C(=O)N1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000269404528 403137131 /nfs/dbraw/zinc/13/71/31/403137131.db2.gz HDTSHKNNURDGPS-UHFFFAOYSA-N 0 3 303.381 2.434 20 30 DEEDHN C#C[C@H](NC(=O)NCc1cccc(OCCN(C)C)c1)C(C)C ZINC000282347336 403145411 /nfs/dbraw/zinc/14/54/11/403145411.db2.gz VKNTZMUJDFTWFD-KRWDZBQOSA-N 0 3 317.433 2.084 20 30 DEEDHN C=C(C)COc1cc(CNCC[C@H](O)COC)ccc1OC ZINC000270795090 403225246 /nfs/dbraw/zinc/22/52/46/403225246.db2.gz IDXZIXNMYOEQCM-HNNXBMFYSA-N 0 3 309.406 2.137 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000270013554 403178705 /nfs/dbraw/zinc/17/87/05/403178705.db2.gz MQFOUZTWLRXQEF-JONQDZQNSA-N 0 3 304.434 2.123 20 30 DEEDHN C=C[C@@H](CC(=O)NCCN(C)CCCOC)c1ccccc1 ZINC000270360212 403183720 /nfs/dbraw/zinc/18/37/20/403183720.db2.gz XEXSYKDBMFRPRG-INIZCTEOSA-N 0 3 304.434 2.431 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](c2cccs2)N2CCOCC2)C1 ZINC000338963951 403300189 /nfs/dbraw/zinc/30/01/89/403300189.db2.gz RTIIDLBRNLNJBY-KFWWJZLASA-N 0 3 305.447 2.403 20 30 DEEDHN C=CCOc1cccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000284441893 403267529 /nfs/dbraw/zinc/26/75/29/403267529.db2.gz SUZDECYWEASDEQ-HOTGVXAUSA-N 0 3 304.434 2.138 20 30 DEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)CC(C)(C)C#N)cc1 ZINC000284461738 403268335 /nfs/dbraw/zinc/26/83/35/403268335.db2.gz TYONELGNIXIENY-OAHLLOKOSA-N 0 3 303.406 2.354 20 30 DEEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284957854 403274289 /nfs/dbraw/zinc/27/42/89/403274289.db2.gz ZRVBJJCQUAFXBW-UKRRQHHQSA-N 0 3 311.447 2.458 20 30 DEEDHN COC(=O)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000345326485 403287461 /nfs/dbraw/zinc/28/74/61/403287461.db2.gz HOPZTHIYSAXJTN-UHFFFAOYSA-N 0 3 302.374 2.212 20 30 DEEDHN COCCOCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285407654 403289472 /nfs/dbraw/zinc/28/94/72/403289472.db2.gz FLVAPYKMYAVKFN-UHFFFAOYSA-N 0 3 322.380 2.204 20 30 DEEDHN N#Cc1cccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285416604 403290829 /nfs/dbraw/zinc/29/08/29/403290829.db2.gz GGMDWMVFBFBLDD-QGZVFWFLSA-N 0 3 312.417 2.328 20 30 DEEDHN CSC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285635860 403345908 /nfs/dbraw/zinc/34/59/08/403345908.db2.gz YWPNQGARYTYXMI-ZDUSSCGKSA-N 0 3 324.421 2.264 20 30 DEEDHN CCC[C@H](C)C(=O)NCCNC(=N)Nc1cc(F)ccc1F ZINC000292333049 403357024 /nfs/dbraw/zinc/35/70/24/403357024.db2.gz NRPLNMZGNZEKHT-JTQLQIEISA-N 0 3 312.364 2.244 20 30 DEEDHN CC(C)CC[C@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292233635 403328469 /nfs/dbraw/zinc/32/84/69/403328469.db2.gz PRLBLCGISKCSQW-JKSUJKDBSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN(C)C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000342743065 403330654 /nfs/dbraw/zinc/33/06/54/403330654.db2.gz XWMQKMZBEVGOGZ-OAHLLOKOSA-N 0 3 307.390 2.145 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc(F)c(C#N)c2)CCSC1 ZINC000331146873 403338762 /nfs/dbraw/zinc/33/87/62/403338762.db2.gz SRDHOQIREUXEOT-OAHLLOKOSA-N 0 3 322.409 2.461 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(CCc3cn[nH]c3)CC2)c1 ZINC000298381485 403370781 /nfs/dbraw/zinc/37/07/81/403370781.db2.gz LCBLEWLPCVPHIN-UHFFFAOYSA-N 0 3 323.400 2.175 20 30 DEEDHN CC#CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285846886 403393979 /nfs/dbraw/zinc/39/39/79/403393979.db2.gz PUFOACZHTMHNQV-OAHLLOKOSA-N 0 3 306.356 2.283 20 30 DEEDHN C#CCNC(=O)CCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000293215319 403417377 /nfs/dbraw/zinc/41/73/77/403417377.db2.gz VFBRTPZGXPDFLS-PBHICJAKSA-N 0 3 302.443 2.305 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000298701533 403442746 /nfs/dbraw/zinc/44/27/46/403442746.db2.gz ZZOLVNWQNZFYAD-HZSPNIEDSA-N 0 3 319.430 2.272 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C#N)o1 ZINC000339885530 403483041 /nfs/dbraw/zinc/48/30/41/403483041.db2.gz FNHIRENEJHEKQK-UHFFFAOYSA-N 0 3 322.368 2.227 20 30 DEEDHN COC(=O)[C@H]1CSCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000332236811 403524905 /nfs/dbraw/zinc/52/49/05/403524905.db2.gz RYEKBBZBNFNSHA-IUODEOHRSA-N 0 3 304.415 2.457 20 30 DEEDHN N#Cc1c(N2CC[C@@H](N3CC=CC3)C2)nc2cc(Cl)ccn12 ZINC000286648317 403536659 /nfs/dbraw/zinc/53/66/59/403536659.db2.gz CFYKLNKUSABRNB-CYBMUJFWSA-N 0 3 313.792 2.310 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cc(F)ccc2OC)CC1 ZINC000299157245 403536791 /nfs/dbraw/zinc/53/67/91/403536791.db2.gz NBXOUDNMVKCGKT-ZDUSSCGKSA-N 0 3 318.392 2.357 20 30 DEEDHN C#CCCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286756936 403545227 /nfs/dbraw/zinc/54/52/27/403545227.db2.gz PJFPXVYNRZDCRE-LJQANCHMSA-N 0 3 311.429 2.317 20 30 DEEDHN CC(C)SCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287199616 403556064 /nfs/dbraw/zinc/55/60/64/403556064.db2.gz USPINFWRNSPCQG-OAHLLOKOSA-N 0 3 301.415 2.498 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CC(F)(F)C2)cc1 ZINC000293571811 403508419 /nfs/dbraw/zinc/50/84/19/403508419.db2.gz FEVMKMAYWZDRGP-CQSZACIVSA-N 0 3 303.312 2.402 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](C)[C@H]1CO ZINC000346308039 403584367 /nfs/dbraw/zinc/58/43/67/403584367.db2.gz KTRKXJHUABRPCL-KBAYOESNSA-N 0 3 319.445 2.248 20 30 DEEDHN CC[C@H]1C[C@@H](CN2CCN(c3ccc(C#N)cn3)CC2)CCO1 ZINC000332403789 403572580 /nfs/dbraw/zinc/57/25/80/403572580.db2.gz VWIPFLMFOVNFMC-RDJZCZTQSA-N 0 3 314.433 2.280 20 30 DEEDHN CN1CCC[C@H](N2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000301306862 403613722 /nfs/dbraw/zinc/61/37/22/403613722.db2.gz VEXYFTAWMYVCFL-AWEZNQCLSA-N 0 3 320.387 2.053 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000293962793 403610805 /nfs/dbraw/zinc/61/08/05/403610805.db2.gz LDNUYPAKAFAKLM-QWHCGFSZSA-N 0 3 324.346 2.279 20 30 DEEDHN C[C@@H](C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000347030626 403611618 /nfs/dbraw/zinc/61/16/18/403611618.db2.gz CGLVTPUGMYVNDV-ZDUSSCGKSA-N 0 3 303.431 2.376 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000347049578 403612888 /nfs/dbraw/zinc/61/28/88/403612888.db2.gz MTMZGIDCJRWLTD-LBPRGKRZSA-N 0 3 314.414 2.100 20 30 DEEDHN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)C(C)C#N ZINC000347107713 403616982 /nfs/dbraw/zinc/61/69/82/403616982.db2.gz JKVLQAQEFJOGNC-TZMCWYRMSA-N 0 3 315.373 2.093 20 30 DEEDHN Cc1cccc(CC2(O)CCN(CCOCCC#N)CC2)c1 ZINC000294017057 403625136 /nfs/dbraw/zinc/62/51/36/403625136.db2.gz HEHZAIWMPRZPMD-UHFFFAOYSA-N 0 3 302.418 2.295 20 30 DEEDHN CN(CCC(C)(C)C#N)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000347219113 403625676 /nfs/dbraw/zinc/62/56/76/403625676.db2.gz CQTSMUYAGVRBAC-GJZGRUSLSA-N 0 3 319.428 2.261 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000301506661 403639110 /nfs/dbraw/zinc/63/91/10/403639110.db2.gz HDFIZNKGQMNBNO-LBPRGKRZSA-N 0 3 307.829 2.045 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000294098221 403647680 /nfs/dbraw/zinc/64/76/80/403647680.db2.gz YDGCXHPLBKARFD-BUHFOSPRSA-N 0 3 315.373 2.069 20 30 DEEDHN C#CCNC(=O)CCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000294263468 403687248 /nfs/dbraw/zinc/68/72/48/403687248.db2.gz VEMCFCXRYGEUCE-HNNXBMFYSA-N 0 3 308.809 2.099 20 30 DEEDHN Cn1nccc1N1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000333511907 403769918 /nfs/dbraw/zinc/76/99/18/403769918.db2.gz FIRNIJUUBKKJQD-CYBMUJFWSA-N 0 3 301.419 2.112 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2COC3=O)CC1 ZINC000288997018 403806517 /nfs/dbraw/zinc/80/65/17/403806517.db2.gz UKLBSMONVQMDBF-UHFFFAOYSA-N 0 3 315.373 2.129 20 30 DEEDHN N#CC(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccncn1 ZINC000354472732 403822610 /nfs/dbraw/zinc/82/26/10/403822610.db2.gz PMZZPOWOAWAKGR-LLVKDONJSA-N 0 3 307.269 2.356 20 30 DEEDHN CCCCO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(C)CCC#N)C1(C)C ZINC000347681257 403803374 /nfs/dbraw/zinc/80/33/74/403803374.db2.gz BISAKCXUAVRHGJ-RBSFLKMASA-N 0 3 309.454 2.320 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001086058128 784364625 /nfs/dbraw/zinc/36/46/25/784364625.db2.gz VZMJOEIMEFZYHD-TYPVWINXSA-N 0 3 315.255 2.426 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000361994686 403915490 /nfs/dbraw/zinc/91/54/90/403915490.db2.gz DEBHSZKLQBWRNY-OAHLLOKOSA-N 0 3 303.381 2.377 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)[C@@H](CO)C1 ZINC000362079346 403924023 /nfs/dbraw/zinc/92/40/23/403924023.db2.gz UDCABTLUJLDPIG-SOUVJXGZSA-N 0 3 322.474 2.211 20 30 DEEDHN C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CO ZINC000362089873 403926218 /nfs/dbraw/zinc/92/62/18/403926218.db2.gz VZGDCGRLCOTNTP-GXTWGEPZSA-N 0 3 313.319 2.497 20 30 DEEDHN C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CO ZINC000362089874 403926287 /nfs/dbraw/zinc/92/62/87/403926287.db2.gz VZGDCGRLCOTNTP-JSGCOSHPSA-N 0 3 313.319 2.497 20 30 DEEDHN C=C(CC)CNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000313507830 403987073 /nfs/dbraw/zinc/98/70/73/403987073.db2.gz VCOXSMKMUMEIRN-UHFFFAOYSA-N 0 3 312.797 2.269 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)[C@H](C#N)CCc3ccccc3)[C@H]2C1 ZINC000347975548 403988716 /nfs/dbraw/zinc/98/87/16/403988716.db2.gz SRQYGYKBRDPVTF-SQNIBIBYSA-N 0 3 311.429 2.312 20 30 DEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(I)cc1 ZINC000289791385 403998695 /nfs/dbraw/zinc/99/86/95/403998695.db2.gz NFDATLPDZAAJLO-BXKDBHETSA-N 0 3 317.170 2.489 20 30 DEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000289861813 404003557 /nfs/dbraw/zinc/00/35/57/404003557.db2.gz QYMINGPZMKIRDR-BBRMVZONSA-N 0 3 301.390 2.138 20 30 DEEDHN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000354791416 404015159 /nfs/dbraw/zinc/01/51/59/404015159.db2.gz OWOFETRLBVXURY-FMKPAKJESA-N 0 3 316.401 2.463 20 30 DEEDHN CC[C@@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000295961064 404030015 /nfs/dbraw/zinc/03/00/15/404030015.db2.gz MZYNPVCERCYKRH-CQSZACIVSA-N 0 3 324.432 2.274 20 30 DEEDHN CC[C@@H](C)N1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000296084726 404085560 /nfs/dbraw/zinc/08/55/60/404085560.db2.gz PLEFWOHULRRPKN-OAHLLOKOSA-N 0 3 317.433 2.362 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ncncc2C#N)C1 ZINC000323782179 404094597 /nfs/dbraw/zinc/09/45/97/404094597.db2.gz DDARGHMTCANJSD-OAHLLOKOSA-N 0 3 307.401 2.307 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000296003639 404047526 /nfs/dbraw/zinc/04/75/26/404047526.db2.gz MFJDCSMFMUGDBH-DOMZBBRYSA-N 0 3 308.809 2.097 20 30 DEEDHN CO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000348338551 404060247 /nfs/dbraw/zinc/06/02/47/404060247.db2.gz HWBRQOLDBBOQJI-ARFHVFGLSA-N 0 3 311.385 2.170 20 30 DEEDHN CCn1cc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000296155097 404118698 /nfs/dbraw/zinc/11/86/98/404118698.db2.gz SNPNOGOKEDCLHU-CYBMUJFWSA-N 0 3 311.389 2.454 20 30 DEEDHN COC(=O)[C@@]1(C)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000412088397 404125364 /nfs/dbraw/zinc/12/53/64/404125364.db2.gz BJSCMYBJVVZELX-KRWDZBQOSA-N 0 3 302.374 2.212 20 30 DEEDHN Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)CC2 ZINC000328769070 404148111 /nfs/dbraw/zinc/14/81/11/404148111.db2.gz GHNUPWCJQKREJQ-CJNGLKHVSA-N 0 3 316.449 2.498 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCOC(C)(C)C1 ZINC000369584475 404151948 /nfs/dbraw/zinc/15/19/48/404151948.db2.gz NLUNPOANFAJXGZ-UHFFFAOYSA-N 0 3 304.390 2.447 20 30 DEEDHN O=C(NCc1noc(C2CC2)n1)[C@H]1CCCN1C1CCOCC1 ZINC000329052628 404213379 /nfs/dbraw/zinc/21/33/79/404213379.db2.gz WXPJEVTUVGIMEC-CYBMUJFWSA-N 0 3 320.393 2.047 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(F)cc1C#N ZINC000369614971 404165904 /nfs/dbraw/zinc/16/59/04/404165904.db2.gz HYROAQWZSUAAMA-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)CN1C1CC1 ZINC000328865306 404165998 /nfs/dbraw/zinc/16/59/98/404165998.db2.gz ZQKXIHOPJGKEAI-IJEWVQPXSA-N 0 3 321.465 2.465 20 30 DEEDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000296278502 404175848 /nfs/dbraw/zinc/17/58/48/404175848.db2.gz YRQUYZINFFORJQ-CABCVRRESA-N 0 3 314.433 2.301 20 30 DEEDHN CO[C@@H](C)[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000290457927 404176802 /nfs/dbraw/zinc/17/68/02/404176802.db2.gz FGZKMUKQGOZBGO-WWGRRREGSA-N 0 3 301.390 2.067 20 30 DEEDHN C=CCCCC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000363819667 404223481 /nfs/dbraw/zinc/22/34/81/404223481.db2.gz LXLPBHMPSNVSKL-UHFFFAOYSA-N 0 3 307.482 2.219 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccccc2)C1=O ZINC000328995898 404194674 /nfs/dbraw/zinc/19/46/74/404194674.db2.gz WKBYKHSNIMCOES-ILXRZTDVSA-N 0 3 301.390 2.137 20 30 DEEDHN CN1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@H](c2ccccc2)C1 ZINC000329038903 404210062 /nfs/dbraw/zinc/21/00/62/404210062.db2.gz SBSBWVXFZDKMKW-ILXRZTDVSA-N 0 3 301.390 2.407 20 30 DEEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@H](CO)C(C)C)cc1 ZINC000355149549 404245876 /nfs/dbraw/zinc/24/58/76/404245876.db2.gz XOZSXHPHNPTPDS-XJKSGUPXSA-N 0 3 304.390 2.200 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000344594609 404248056 /nfs/dbraw/zinc/24/80/56/404248056.db2.gz NQCQMOOBRKKVLE-MAUKXSAKSA-N 0 3 316.445 2.226 20 30 DEEDHN O=C(CN[C@H]1CCC[C@@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329170744 404252167 /nfs/dbraw/zinc/25/21/67/404252167.db2.gz JTGDJUZSWCLLGP-MNOVXSKESA-N 0 3 309.435 2.361 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C ZINC000341941636 404269126 /nfs/dbraw/zinc/26/91/26/404269126.db2.gz MBPXIZKRRHPNDK-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000352323557 404289569 /nfs/dbraw/zinc/28/95/69/404289569.db2.gz CEDAKMNUOURBNJ-OWCLPIDISA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000329307868 404297104 /nfs/dbraw/zinc/29/71/04/404297104.db2.gz YPBYLBIBSNYQIF-YPMHNXCESA-N 0 3 301.394 2.002 20 30 DEEDHN COc1ccc(CNC[C@H](O)C(F)F)cc1OCCCC#N ZINC000344771002 404359286 /nfs/dbraw/zinc/35/92/86/404359286.db2.gz JWSBCOBIJQDSDZ-LBPRGKRZSA-N 0 3 314.332 2.093 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000342183727 404427407 /nfs/dbraw/zinc/42/74/07/404427407.db2.gz QWGWCPGFOKHTFZ-KRWDZBQOSA-N 0 3 316.445 2.199 20 30 DEEDHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000329529797 404366747 /nfs/dbraw/zinc/36/67/47/404366747.db2.gz VJABPDSNYXVGJH-CZUORRHYSA-N 0 3 319.449 2.361 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)[C@@H]1CCCN1C ZINC000329711876 404429168 /nfs/dbraw/zinc/42/91/68/404429168.db2.gz PEGSVBNTDQSNAB-KKUMJFAQSA-N 0 3 324.469 2.112 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329604635 404390736 /nfs/dbraw/zinc/39/07/36/404390736.db2.gz YZIUADTXCDABRD-ZQDZILKHSA-N 0 3 310.438 2.115 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000352474196 404397570 /nfs/dbraw/zinc/39/75/70/404397570.db2.gz DURBLVLKWBZVGG-SFHVURJKSA-N 0 3 307.482 2.075 20 30 DEEDHN C[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)C1=CCN(C)CC1 ZINC000329712313 404430503 /nfs/dbraw/zinc/43/05/03/404430503.db2.gz PWQVBRKRPKICSD-SWLSCSKDSA-N 0 3 320.437 2.134 20 30 DEEDHN N#CC(C(=O)c1cnn2ccncc12)c1nc2ccccc2[nH]1 ZINC000356256955 404411824 /nfs/dbraw/zinc/41/18/24/404411824.db2.gz CHHZDQRNRYBLGO-SNVBAGLBSA-N 0 3 302.297 2.096 20 30 DEEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000344867236 404414289 /nfs/dbraw/zinc/41/42/89/404414289.db2.gz READKKVNABXUIQ-ZDUSSCGKSA-N 0 3 324.222 2.472 20 30 DEEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C ZINC000352501203 404418152 /nfs/dbraw/zinc/41/81/52/404418152.db2.gz SQXNGYTXOJBRDH-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN O=C(NCc1ccc2ncccc2c1)N[C@H]1CCN(C2CC2)C1 ZINC000329922796 404497230 /nfs/dbraw/zinc/49/72/30/404497230.db2.gz UDZFQBWXNUYMKD-HNNXBMFYSA-N 0 3 310.401 2.475 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000329947187 404503965 /nfs/dbraw/zinc/50/39/65/404503965.db2.gz JYJPNQURLQYTRS-BUWBCJGYSA-N 0 3 322.409 2.239 20 30 DEEDHN Cc1nc(C)c(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)s1 ZINC000329806536 404458445 /nfs/dbraw/zinc/45/84/45/404458445.db2.gz NZDMWCNVWOPVJQ-TVQRCGJNSA-N 0 3 308.451 2.246 20 30 DEEDHN CC(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000330218152 404589495 /nfs/dbraw/zinc/58/94/95/404589495.db2.gz OLUVZRDJUFLZJD-BBRMVZONSA-N 0 3 309.454 2.178 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414160111 404530198 /nfs/dbraw/zinc/53/01/98/404530198.db2.gz CNGYVLALFGQUFN-LBPRGKRZSA-N 0 3 309.435 2.185 20 30 DEEDHN COc1ccc(COC[C@H](O)CN2CCC(C)(C#N)CC2)cc1 ZINC000356450933 404531061 /nfs/dbraw/zinc/53/10/61/404531061.db2.gz ZHROVEMEMSWMSV-MRXNPFEDSA-N 0 3 318.417 2.198 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)[C@@H]1CCC[C@@H]1O ZINC000352676480 404538877 /nfs/dbraw/zinc/53/88/77/404538877.db2.gz SXWXXVLLWFFQMZ-IMJJTQAJSA-N 0 3 322.474 2.496 20 30 DEEDHN C=CCOCC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000356474261 404545565 /nfs/dbraw/zinc/54/55/65/404545565.db2.gz NUJMVTRKNDGQQH-QGZVFWFLSA-N 0 3 317.433 2.097 20 30 DEEDHN CC(C#N)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000345099340 404547490 /nfs/dbraw/zinc/54/74/90/404547490.db2.gz CNRLEYXFVUTJOU-JTQLQIEISA-N 0 3 302.309 2.084 20 30 DEEDHN CC(=O)N1CCC[C@H](CNC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000330095764 404549925 /nfs/dbraw/zinc/54/99/25/404549925.db2.gz WDFPECRLXOFKQT-GDBMZVCRSA-N 0 3 307.438 2.076 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000352825103 404649794 /nfs/dbraw/zinc/64/97/94/404649794.db2.gz IPYRXWIMCFZMOE-HZPDHXFCSA-N 0 3 323.481 2.125 20 30 DEEDHN C[C@H]1CSC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000352797178 404629751 /nfs/dbraw/zinc/62/97/51/404629751.db2.gz IBMRDAOLAWFYEO-TVQRCGJNSA-N 0 3 309.822 2.491 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330568922 404689895 /nfs/dbraw/zinc/68/98/95/404689895.db2.gz LYCSAZWZVWRZKJ-HUUCEWRRSA-N 0 3 314.433 2.301 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](c3ccco3)C2)cc1 ZINC000374009161 404668387 /nfs/dbraw/zinc/66/83/87/404668387.db2.gz VYMDJSKOKCQAJG-HOTGVXAUSA-N 0 3 312.369 2.380 20 30 DEEDHN C=CCOc1cccc(CN2CCC(NC(=O)NC)CC2)c1 ZINC000414539373 404671171 /nfs/dbraw/zinc/67/11/71/404671171.db2.gz DBHQOOFSVXGROX-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN COc1ccc2ccccc2c1CNCCn1cnc(C#N)n1 ZINC000353044487 404731159 /nfs/dbraw/zinc/73/11/59/404731159.db2.gz GAYLKVHVCFGFDF-UHFFFAOYSA-N 0 3 307.357 2.101 20 30 DEEDHN C=CCSCCNC(=O)NCC1(SC)CCN(C)CC1 ZINC000357743660 404741944 /nfs/dbraw/zinc/74/19/44/404741944.db2.gz MRJRKGIBNGHDBA-UHFFFAOYSA-N 0 3 317.524 2.032 20 30 DEEDHN COc1cc(CN[C@@H]2CCC(=O)N[C@@H]2C(C)(C)C)ccc1C#N ZINC000353113832 404745049 /nfs/dbraw/zinc/74/50/49/404745049.db2.gz ARBPLAVAVQUGAG-PBHICJAKSA-N 0 3 315.417 2.350 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353215133 404772169 /nfs/dbraw/zinc/77/21/69/404772169.db2.gz URLVJHZETBXKMC-OLZOCXBDSA-N 0 3 313.405 2.222 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)OC[C@H]2CC)CC1 ZINC000358392978 404761365 /nfs/dbraw/zinc/76/13/65/404761365.db2.gz ZLXUPZNKSZMZHQ-GOEBONIOSA-N 0 3 309.454 2.236 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCCC(C)(C)C#N)O1 ZINC000374687622 404710746 /nfs/dbraw/zinc/71/07/46/404710746.db2.gz SMQIILXIHVDCJP-TUVASFSCSA-N 0 3 308.422 2.500 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](COC(F)F)C2)cc1 ZINC000353028351 404725433 /nfs/dbraw/zinc/72/54/33/404725433.db2.gz ZXRWUVMHLMFHJU-CYBMUJFWSA-N 0 3 323.343 2.448 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000358931749 404779999 /nfs/dbraw/zinc/77/99/99/404779999.db2.gz DKZIGZDGTKZKIB-LSDHHAIUSA-N 0 3 321.469 2.310 20 30 DEEDHN C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000359468067 404794371 /nfs/dbraw/zinc/79/43/71/404794371.db2.gz WMLHFPWIYNNDSJ-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC(C)C)OC)CC1 ZINC000416672763 404875993 /nfs/dbraw/zinc/87/59/93/404875993.db2.gz APSMSNGMCAVKQR-INIZCTEOSA-N 0 3 311.470 2.387 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000451176550 404889768 /nfs/dbraw/zinc/88/97/68/404889768.db2.gz QONXPKNSTAZAAF-KBXCAEBGSA-N 0 3 324.380 2.281 20 30 DEEDHN C[C@@H]1[C@@H](NCc2cc(C#N)n(C)c2)CC(=O)N1Cc1ccccc1 ZINC000366991454 404890944 /nfs/dbraw/zinc/89/09/44/404890944.db2.gz SBOFMCXOYYUBCT-KDOFPFPSSA-N 0 3 322.412 2.176 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000360998289 404872715 /nfs/dbraw/zinc/87/27/15/404872715.db2.gz PBFRNEWJYLCDOH-SUMWQHHRSA-N 0 3 308.385 2.137 20 30 DEEDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(C#N)s2)cn1 ZINC000378374637 404946098 /nfs/dbraw/zinc/94/60/98/404946098.db2.gz FPYONSPSYUGKPG-BBRMVZONSA-N 0 3 316.430 2.441 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000435673190 405002390 /nfs/dbraw/zinc/00/23/90/405002390.db2.gz MJGRNDJOOXAGFM-IKGGRYGDSA-N 0 3 302.418 2.387 20 30 DEEDHN Cc1ccccc1OCCCN(C)C(=O)[C@@H](N)CCCC#N ZINC000424091276 405003256 /nfs/dbraw/zinc/00/32/56/405003256.db2.gz MGJIHBYOCBZVHG-HNNXBMFYSA-N 0 3 303.406 2.244 20 30 DEEDHN Cc1nc(C2(NC(=O)[C@H](N)CCCC#N)CCCCCC2)no1 ZINC000424095710 405004026 /nfs/dbraw/zinc/00/40/26/405004026.db2.gz NXDITFZDSIZDPT-CYBMUJFWSA-N 0 3 319.409 2.065 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@H](C(=O)OC)CC2)CC1 ZINC000435693994 405004664 /nfs/dbraw/zinc/00/46/64/405004664.db2.gz WNKUEFLPGWMBNG-SHTZXODSSA-N 0 3 322.449 2.123 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000424114108 405011336 /nfs/dbraw/zinc/01/13/36/405011336.db2.gz PRQQGDMOMJZEJB-GFCCVEGCSA-N 0 3 320.462 2.092 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451610314 405015182 /nfs/dbraw/zinc/01/51/82/405015182.db2.gz YSFWGYOCCDRGEC-UAGQMJEPSA-N 0 3 313.401 2.255 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)CCCCC#N ZINC000451654685 405016629 /nfs/dbraw/zinc/01/66/29/405016629.db2.gz WAHGFCLYHYEYTG-HNNXBMFYSA-N 0 3 315.483 2.110 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000424129989 405016881 /nfs/dbraw/zinc/01/68/81/405016881.db2.gz DUVORUMPKNOXNH-KGLIPLIRSA-N 0 3 320.462 2.022 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000424133094 405017238 /nfs/dbraw/zinc/01/72/38/405017238.db2.gz IXCICUHINRWDIK-CQSZACIVSA-N 0 3 301.394 2.032 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1c2ccccc2C[C@H]1C ZINC000451678929 405017457 /nfs/dbraw/zinc/01/74/57/405017457.db2.gz JAJHVHOLOZOISE-UNEWFSDZSA-N 0 3 300.402 2.287 20 30 DEEDHN COCc1cccc2sc(NC(=O)[C@@H](N)CCCC#N)nc21 ZINC000424145906 405020633 /nfs/dbraw/zinc/02/06/33/405020633.db2.gz VSVQQGOUYXQJCK-NSHDSACASA-N 0 3 318.402 2.402 20 30 DEEDHN Cc1csc(C2(NC(=O)[C@@H](N)CCCC#N)CCCC2)n1 ZINC000424148639 405022993 /nfs/dbraw/zinc/02/29/93/405022993.db2.gz URVCJUCESASLJO-LBPRGKRZSA-N 0 3 306.435 2.358 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1F ZINC000424163943 405026768 /nfs/dbraw/zinc/02/67/68/405026768.db2.gz BDXHHXUSDDEOBM-JTQLQIEISA-N 0 3 301.268 2.387 20 30 DEEDHN COc1ccccc1C1(CNC(=O)[C@H](N)CCCC#N)CCC1 ZINC000424176187 405031156 /nfs/dbraw/zinc/03/11/56/405031156.db2.gz ROTZCFNMSDEZOS-OAHLLOKOSA-N 0 3 315.417 2.254 20 30 DEEDHN CCOc1cc2c(cc1NC(=O)[C@H](N)CCCC#N)O[C@@H](C)C2 ZINC000424063027 404989800 /nfs/dbraw/zinc/98/98/00/404989800.db2.gz LXRHKXJXJFQIGU-WCQYABFASA-N 0 3 317.389 2.368 20 30 DEEDHN CCOc1cc2c(cc1NC(=O)[C@H](N)CCCC#N)O[C@H](C)C2 ZINC000424063025 404990319 /nfs/dbraw/zinc/99/03/19/404990319.db2.gz LXRHKXJXJFQIGU-DGCLKSJQSA-N 0 3 317.389 2.368 20 30 DEEDHN N#Cc1cc(NCC2(N3CCSCC3)CCCC2)ccn1 ZINC000367514517 405070371 /nfs/dbraw/zinc/07/03/71/405070371.db2.gz SHRNGAAVLFSWJY-UHFFFAOYSA-N 0 3 302.447 2.149 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000424530772 405110197 /nfs/dbraw/zinc/11/01/97/405110197.db2.gz LCDHBAHUXIFAOB-HHARLNAUSA-N 0 3 306.450 2.156 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044105 405138797 /nfs/dbraw/zinc/13/87/97/405138797.db2.gz HVXZLPPIPFPREN-IMSKVBIZSA-N 0 3 303.450 2.363 20 30 DEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1CC(C)(C)O ZINC000439440637 405278433 /nfs/dbraw/zinc/27/84/33/405278433.db2.gz OVIKOFGGHMVBBA-ZDUSSCGKSA-N 0 3 321.852 2.489 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439473508 405281024 /nfs/dbraw/zinc/28/10/24/405281024.db2.gz VXSBZNUTKYHANF-QWQRMKEZSA-N 0 3 322.449 2.121 20 30 DEEDHN Cc1ccc([C@H](CN[C@H]2CC[C@H](C#N)C2)N2CCOCC2)o1 ZINC000442638718 405335835 /nfs/dbraw/zinc/33/58/35/405335835.db2.gz UBKXMRFHAWCJKY-JYJNAYRXSA-N 0 3 303.406 2.243 20 30 DEEDHN C=C(C)CCNC(=O)NCc1ccccc1OCCN(C)C ZINC000454406653 405341980 /nfs/dbraw/zinc/34/19/80/405341980.db2.gz HVJOVZAADGKBPH-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCC2(COC)CCC2)CC1 ZINC000454533436 405359536 /nfs/dbraw/zinc/35/95/36/405359536.db2.gz DGSCQKSYVHZBSL-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nccn2CC)CC1 ZINC000454458958 405348477 /nfs/dbraw/zinc/34/84/77/405348477.db2.gz GJJVLHYFNVSYGR-AWEZNQCLSA-N 0 3 319.453 2.304 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000454465504 405349326 /nfs/dbraw/zinc/34/93/26/405349326.db2.gz OULFZAYGGNOXOS-CVEARBPZSA-N 0 3 321.465 2.093 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](OC)C2CC2)CC1 ZINC000454471883 405350360 /nfs/dbraw/zinc/35/03/60/405350360.db2.gz ZZZAGPIJQQKTNT-BBRMVZONSA-N 0 3 309.454 2.140 20 30 DEEDHN COCC(C)(C)N1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000425500004 405299128 /nfs/dbraw/zinc/29/91/28/405299128.db2.gz AGJHPJXRBUJSIY-UHFFFAOYSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OC)C2(C)C)CC1 ZINC000440151237 405303723 /nfs/dbraw/zinc/30/37/23/405303723.db2.gz AQOMGDYTEJFHBJ-CABCVRRESA-N 0 3 309.454 2.140 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000448609474 405426909 /nfs/dbraw/zinc/42/69/09/405426909.db2.gz ZELRFKBGVNGOMI-OAHLLOKOSA-N 0 3 308.385 2.199 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCc2ccc(C#N)s2)CCC1 ZINC000420895277 405401141 /nfs/dbraw/zinc/40/11/41/405401141.db2.gz YQRHKAHNKOZFLD-UHFFFAOYSA-N 0 3 306.435 2.245 20 30 DEEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000455389413 405404054 /nfs/dbraw/zinc/40/40/54/405404054.db2.gz TVBKJIRBAGNCOG-AWEZNQCLSA-N 0 3 309.454 2.093 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000455438108 405409791 /nfs/dbraw/zinc/40/97/91/405409791.db2.gz XQTIMHPSLCVUOC-BHYGNILZSA-N 0 3 314.433 2.418 20 30 DEEDHN N#Cc1cncc(NCc2ccc(OCCN3CCCC3)cc2)n1 ZINC000420602832 405360579 /nfs/dbraw/zinc/36/05/79/405360579.db2.gz OPLBHQBSPQJPFY-UHFFFAOYSA-N 0 3 323.400 2.435 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000446080820 405371682 /nfs/dbraw/zinc/37/16/82/405371682.db2.gz NLZLYWLKGSIBIH-WMZOPIPTSA-N 0 3 319.445 2.248 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CCO)CC1 ZINC000421019622 405431711 /nfs/dbraw/zinc/43/17/11/405431711.db2.gz PSODHZWZDYOESW-HNNXBMFYSA-N 0 3 318.417 2.430 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000429728724 405446248 /nfs/dbraw/zinc/44/62/48/405446248.db2.gz XMBSDFJLHMBSQV-HNNXBMFYSA-N 0 3 314.433 2.325 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000448815907 405451668 /nfs/dbraw/zinc/45/16/68/405451668.db2.gz JTCHRZIISUWQKW-CVEARBPZSA-N 0 3 306.406 2.069 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C)cc(C#N)c2)C[C@H]1N(C)C ZINC000455958422 405464221 /nfs/dbraw/zinc/46/42/21/405464221.db2.gz RQZFOCOQFRAFJN-HUUCEWRRSA-N 0 3 318.446 2.376 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cnc(C)s2)CC1 ZINC000492059053 405473272 /nfs/dbraw/zinc/47/32/72/405473272.db2.gz QSIRFMUFHYKHMD-WAYWQWQTSA-N 0 3 303.431 2.069 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccnn1C1CCCC1 ZINC000556329654 405473777 /nfs/dbraw/zinc/47/37/77/405473777.db2.gz ALOULYOUJWOFEF-CABCVRRESA-N 0 3 318.421 2.260 20 30 DEEDHN CS(=O)(=O)CC1(CNCc2ccc(C#N)c(F)c2)CCC1 ZINC000421374122 405480888 /nfs/dbraw/zinc/48/08/88/405480888.db2.gz BARPUFXWIFWIAD-UHFFFAOYSA-N 0 3 310.394 2.002 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458719193 405557125 /nfs/dbraw/zinc/55/71/25/405557125.db2.gz ASNULYSURPHGAG-SOLBZPMBSA-N 0 3 321.465 2.095 20 30 DEEDHN N#Cc1ccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)s1 ZINC000577884178 405533258 /nfs/dbraw/zinc/53/32/58/405533258.db2.gz DZEWXFBZUWGQQQ-QGZVFWFLSA-N 0 3 311.410 2.249 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000557737725 405623949 /nfs/dbraw/zinc/62/39/49/405623949.db2.gz KEKMWBBQVOIHIY-YCPHGPKFSA-N 0 3 300.406 2.108 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000458755326 405573685 /nfs/dbraw/zinc/57/36/85/405573685.db2.gz DYUNLRWBILCRFW-YJNKXOJESA-N 0 3 321.421 2.352 20 30 DEEDHN C=CCC1(CNC(=O)c2cnn(CCN(C)C)c2)CCCC1 ZINC000633337656 405578676 /nfs/dbraw/zinc/57/86/76/405578676.db2.gz JHAFVAQVUMSHAZ-UHFFFAOYSA-N 0 3 304.438 2.311 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)CSc1ccc(C#N)cc1 ZINC000421700234 405594646 /nfs/dbraw/zinc/59/46/46/405594646.db2.gz DHWOLKYWJFUNSN-AWEZNQCLSA-N 0 3 303.431 2.203 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2noc(C)n2)cc1 ZINC000449521884 405595347 /nfs/dbraw/zinc/59/53/47/405595347.db2.gz SYSRQODBWQGLGL-CVEARBPZSA-N 0 3 315.373 2.390 20 30 DEEDHN COCC1(C)CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528431168 405603869 /nfs/dbraw/zinc/60/38/69/405603869.db2.gz LPHAGEQJAJWPRS-MRXNPFEDSA-N 0 3 318.417 2.046 20 30 DEEDHN N#CCc1ccc(CN[C@]2(CO)COc3ccccc3C2)cc1 ZINC000528646562 405696641 /nfs/dbraw/zinc/69/66/41/405696641.db2.gz SLLVUBWRVNARKK-LJQANCHMSA-N 0 3 308.381 2.208 20 30 DEEDHN C=CCC[C@H](CO)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449698156 405697405 /nfs/dbraw/zinc/69/74/05/405697405.db2.gz NBNQQHUULBUQCP-OAHLLOKOSA-N 0 3 301.390 2.298 20 30 DEEDHN N#CCc1ccc(CN[C@@]2(CO)COc3ccccc3C2)cc1 ZINC000528646561 405697704 /nfs/dbraw/zinc/69/77/04/405697704.db2.gz SLLVUBWRVNARKK-IBGZPJMESA-N 0 3 308.381 2.208 20 30 DEEDHN COCc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1C#N ZINC000529209954 405752816 /nfs/dbraw/zinc/75/28/16/405752816.db2.gz BQSIRRYDTRTEPP-MLGOLLRUSA-N 0 3 316.405 2.309 20 30 DEEDHN COc1ccc([C@H](CCC#N)NC[C@@H](O)[C@H]2CCOC2)cc1 ZINC000583604476 405769449 /nfs/dbraw/zinc/76/94/49/405769449.db2.gz CSHSACHALXWSEY-BHYGNILZSA-N 0 3 304.390 2.027 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000450421830 405889001 /nfs/dbraw/zinc/88/90/01/405889001.db2.gz FKYBKQCZOFDVTL-CYBMUJFWSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@@H]1CCN(C)CCN1c1ncc(Br)cc1C#N ZINC000450330216 405836802 /nfs/dbraw/zinc/83/68/02/405836802.db2.gz OBNIGPUUNHRYEB-SNVBAGLBSA-N 0 3 309.211 2.246 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@](O)(CC)C1 ZINC000495234141 405851209 /nfs/dbraw/zinc/85/12/09/405851209.db2.gz RDAQYBRHTGNIGU-WMZOPIPTSA-N 0 3 305.418 2.002 20 30 DEEDHN CN(C)[C@@H](CNC(=O)NCC(C)(C)CC#N)Cc1ccccc1 ZINC000457486799 405863618 /nfs/dbraw/zinc/86/36/18/405863618.db2.gz PXXGBHIJXAFSSY-MRXNPFEDSA-N 0 3 316.449 2.398 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495960378 405942921 /nfs/dbraw/zinc/94/29/21/405942921.db2.gz GSTDSWHLDCREMH-NEPJUHHUSA-N 0 3 301.346 2.322 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000450537978 405945950 /nfs/dbraw/zinc/94/59/50/405945950.db2.gz FDWUCLSTZXWQGM-OUCADQQQSA-N 0 3 315.377 2.028 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000459457020 405909356 /nfs/dbraw/zinc/90/93/56/405909356.db2.gz IFJNUTMUSXVHDG-CHWSQXEVSA-N 0 3 302.378 2.381 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000495589296 405923801 /nfs/dbraw/zinc/92/38/01/405923801.db2.gz OXIAAGHZYGNGKL-MCIONIFRSA-N 0 3 311.426 2.150 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495589295 405924013 /nfs/dbraw/zinc/92/40/13/405924013.db2.gz OXIAAGHZYGNGKL-BFHYXJOUSA-N 0 3 311.426 2.150 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(CC)C1COC1)C(C)C ZINC000457746640 405981487 /nfs/dbraw/zinc/98/14/87/405981487.db2.gz LXMGQFLJZIASCK-MRXNPFEDSA-N 0 3 309.454 2.115 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000459784293 406045642 /nfs/dbraw/zinc/04/56/42/406045642.db2.gz XAGJTAGBDQGNHN-OIISXLGYSA-N 0 3 315.417 2.479 20 30 DEEDHN Cc1cccc2c1OC[C@@H](NCc1cnc3c(C#N)cnn3c1)C2 ZINC000567888807 406154365 /nfs/dbraw/zinc/15/43/65/406154365.db2.gz SHKAROKQCFNNBA-INIZCTEOSA-N 0 3 319.368 2.003 20 30 DEEDHN COC(=O)c1cccc(CN2CCN(C3CCC3)CC2)c1C#N ZINC000535204952 406216169 /nfs/dbraw/zinc/21/61/69/406216169.db2.gz GNZDIFJKUUBVPK-UHFFFAOYSA-N 0 3 313.401 2.015 20 30 DEEDHN CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CCN1C ZINC000487987314 406281340 /nfs/dbraw/zinc/28/13/40/406281340.db2.gz JTHPGERQXIMWPM-RHSMWYFYSA-N 0 3 314.433 2.157 20 30 DEEDHN CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000487999857 406282950 /nfs/dbraw/zinc/28/29/50/406282950.db2.gz NNGQPHLPBRDNAF-YOEHRIQHSA-N 0 3 314.433 2.157 20 30 DEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)CCC(C)(C)C#N ZINC000569968497 406327890 /nfs/dbraw/zinc/32/78/90/406327890.db2.gz HLKKKJSEJUSOGD-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN CCCCN(C)CCNC(=O)Nc1ccc(C#N)cc1OC ZINC000545999206 406342082 /nfs/dbraw/zinc/34/20/82/406342082.db2.gz LCNCQKIOBFROLZ-UHFFFAOYSA-N 0 3 304.394 2.420 20 30 DEEDHN N#CCC1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000541022438 406298847 /nfs/dbraw/zinc/29/88/47/406298847.db2.gz DZDIVEHQJLJXGC-UHFFFAOYSA-N 0 3 313.401 2.001 20 30 DEEDHN CCC1CCC(N(CCO)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000488189233 406300043 /nfs/dbraw/zinc/30/00/43/406300043.db2.gz PZDSJLNPBQWLJI-JFUPDXTOSA-N 0 3 321.465 2.058 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](CCO)C(C)(C)C)c1C#N ZINC000546930518 406386912 /nfs/dbraw/zinc/38/69/12/406386912.db2.gz BPLYHBSVNICSGD-HNNXBMFYSA-N 0 3 304.390 2.232 20 30 DEEDHN C=CCCCS(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000489282503 406389530 /nfs/dbraw/zinc/38/95/30/406389530.db2.gz USSXNJPFXGPLHS-HNNXBMFYSA-N 0 3 300.468 2.233 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000489430235 406404211 /nfs/dbraw/zinc/40/42/11/406404211.db2.gz QIEAJYYQRSIFAM-ZIAGYGMSSA-N 0 3 306.362 2.375 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1csc(N(CC)C(C)=O)n1 ZINC000570683167 406425372 /nfs/dbraw/zinc/42/53/72/406425372.db2.gz CKQWIAKELYEHFJ-UHFFFAOYSA-N 0 3 324.494 2.456 20 30 DEEDHN C=CCCCS(=O)(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 ZINC000489123527 406378531 /nfs/dbraw/zinc/37/85/31/406378531.db2.gz OCMCXMDSSMPUJQ-HUUCEWRRSA-N 0 3 302.484 2.240 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@H](N)CCC(C)C)cc1 ZINC000637939757 406487175 /nfs/dbraw/zinc/48/71/75/406487175.db2.gz QEPSWUKSTKAVFO-HNNXBMFYSA-N 0 3 303.406 2.304 20 30 DEEDHN C#CCN(CC)C[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC000490739671 406488869 /nfs/dbraw/zinc/48/88/69/406488869.db2.gz GDWBVKCPRACCNR-KQQSKNTNSA-N 0 3 303.402 2.423 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C1(C)C ZINC000571224239 406493257 /nfs/dbraw/zinc/49/32/57/406493257.db2.gz NPFIVRKJEBNCLE-HZSPNIEDSA-N 0 3 307.438 2.119 20 30 DEEDHN C#CCNC(=O)C1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000491267807 406558078 /nfs/dbraw/zinc/55/80/78/406558078.db2.gz VNLUZHJCMGQYOK-IRXDYDNUSA-N 0 3 300.377 2.143 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccc(F)cc1 ZINC000491276635 406558798 /nfs/dbraw/zinc/55/87/98/406558798.db2.gz KMXHKVKFMVKJFY-BBRMVZONSA-N 0 3 303.381 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(N(C)C)c2)CC1 ZINC000640603058 406565688 /nfs/dbraw/zinc/56/56/88/406565688.db2.gz NFHZYKDODGMARR-UHFFFAOYSA-N 0 3 317.437 2.310 20 30 DEEDHN C#CCN1CCC(C(=O)NC2CCc3ccccc3CC2)CC1 ZINC000491524623 406611945 /nfs/dbraw/zinc/61/19/45/406611945.db2.gz NGNIZYUNOTYKJE-UHFFFAOYSA-N 0 3 310.441 2.395 20 30 DEEDHN Cn1ccc(CNC2CCC(Oc3ncccc3C#N)CC2)n1 ZINC000527074483 406580010 /nfs/dbraw/zinc/58/00/10/406580010.db2.gz DIVKAPMBEOJIGM-UHFFFAOYSA-N 0 3 311.389 2.167 20 30 DEEDHN C#C[C@H](NC[C@@H](O)COc1ccc(CCC(C)=O)cc1)C(C)C ZINC000491380984 406581655 /nfs/dbraw/zinc/58/16/55/406581655.db2.gz CANPJCMNIGEIOB-MJGOQNOKSA-N 0 3 317.429 2.195 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000571916239 406583346 /nfs/dbraw/zinc/58/33/46/406583346.db2.gz UCBIDZMVXKFKAQ-SECBINFHSA-N 0 3 301.268 2.371 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1NCCc2ccccc21)C1CCCC1 ZINC000491405794 406586606 /nfs/dbraw/zinc/58/66/06/406586606.db2.gz KPGFSXYGMLKSKC-GOSISDBHSA-N 0 3 311.429 2.461 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000491708950 406679716 /nfs/dbraw/zinc/67/97/16/406679716.db2.gz VVBFUXQEAYMDLX-UHFFFAOYSA-N 0 3 320.343 2.185 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000552067734 406680911 /nfs/dbraw/zinc/68/09/11/406680911.db2.gz VWORAGMBRSVGAV-CYBMUJFWSA-N 0 3 317.408 2.433 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000491732576 406693349 /nfs/dbraw/zinc/69/33/49/406693349.db2.gz JSYZKYBGFARSGL-HUUCEWRRSA-N 0 3 311.495 2.257 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1ccc(F)cc1 ZINC000491642138 406647733 /nfs/dbraw/zinc/64/77/33/406647733.db2.gz VTKBJLQTNBXGNT-MLGOLLRUSA-N 0 3 303.381 2.282 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(F)(F)C[C@H]2C)CC1 ZINC000527768737 406743902 /nfs/dbraw/zinc/74/39/02/406743902.db2.gz RDFNNNSMRDKGTQ-GFCCVEGCSA-N 0 3 301.381 2.466 20 30 DEEDHN C#C[C@H](NC(=O)/C=C\CN(C)C)c1ccc(Br)cc1 ZINC000491781183 406716020 /nfs/dbraw/zinc/71/60/20/406716020.db2.gz NFDKBQKVGIPJJZ-GXMNPTEKSA-N 0 3 321.218 2.357 20 30 DEEDHN N#CCC[C@H](C#N)CNC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000572666621 406717079 /nfs/dbraw/zinc/71/70/79/406717079.db2.gz QVYMLSVPOOQTJA-IAGOWNOFSA-N 0 3 310.401 2.068 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(N(CC)C(C)C)nc1 ZINC000491801291 406727272 /nfs/dbraw/zinc/72/72/72/406727272.db2.gz CIEZDRNAZNWQLP-UHFFFAOYSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCN(C)C2(CCCCC2)C1 ZINC000575069192 406788463 /nfs/dbraw/zinc/78/84/63/406788463.db2.gz QENBRSQKRBRHQP-UHFFFAOYSA-N 0 3 305.466 2.137 20 30 DEEDHN O=C(NCC#Cc1ccccc1)NC[C@@H]1NCCc2ccccc21 ZINC000575732808 406826264 /nfs/dbraw/zinc/82/62/64/406826264.db2.gz JBZNRYAPNDSYGM-IBGZPJMESA-N 0 3 319.408 2.224 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000576935672 406834043 /nfs/dbraw/zinc/83/40/43/406834043.db2.gz MWHNOHPGMBBYKW-HNNXBMFYSA-N 0 3 302.418 2.252 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(OC)c(Br)c1 ZINC000641768801 406888641 /nfs/dbraw/zinc/88/86/41/406888641.db2.gz IRHYSBZOKKLUEQ-GFCCVEGCSA-N 0 3 312.207 2.322 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H]2NCC2(C)C)cc(OC)c1OC ZINC000643985486 407069559 /nfs/dbraw/zinc/06/95/59/407069559.db2.gz OBEZUWOCBPRDQJ-INIZCTEOSA-N 0 3 318.417 2.047 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)[C@H]1C ZINC001088882813 782017253 /nfs/dbraw/zinc/01/72/53/782017253.db2.gz KWEBNCJCDVENMH-MNEFBYGVSA-N 0 3 310.441 2.394 20 30 DEEDHN C[C@@H](CNC(=O)CN1CCC[C@@H]1C)Nc1cccc(F)c1C#N ZINC001098282669 782016746 /nfs/dbraw/zinc/01/67/46/782016746.db2.gz SHKWJVCRBPLLRZ-STQMWFEESA-N 0 3 318.396 2.098 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330178366 287262550 /nfs/dbraw/zinc/26/25/50/287262550.db2.gz LNWCTHLTTPSSLR-CABCVRRESA-N 0 3 309.454 2.466 20 30 DEEDHN C=CCC[C@@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1ccccc1 ZINC000131710116 196193061 /nfs/dbraw/zinc/19/30/61/196193061.db2.gz AGVBYKDHHNAGKW-SJLPKXTDSA-N 0 3 319.449 2.306 20 30 DEEDHN Cc1cccnc1[C@@H](NCCC(=O)N(C)CCC#N)C(C)C ZINC000131876954 196206140 /nfs/dbraw/zinc/20/61/40/196206140.db2.gz RGDDNGTULSFQCO-INIZCTEOSA-N 0 3 302.422 2.439 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCc2cc(C#N)ccc2F)CCC1 ZINC000189927325 225068824 /nfs/dbraw/zinc/06/88/24/225068824.db2.gz QXWQGPNKJRMHEP-UHFFFAOYSA-N 0 3 318.396 2.323 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000278652346 225480399 /nfs/dbraw/zinc/48/03/99/225480399.db2.gz IECYUCVMTUYUQR-HIFRSBDPSA-N 0 3 307.419 2.230 20 30 DEEDHN COCCN1CCC(NC(=O)Nc2c(C)cc(C)nc2C)CC1 ZINC000331228522 226071116 /nfs/dbraw/zinc/07/11/16/226071116.db2.gz FPVPTVUGEHRHIF-UHFFFAOYSA-N 0 3 320.437 2.444 20 30 DEEDHN N#CCCOCCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000339099166 226178692 /nfs/dbraw/zinc/17/86/92/226178692.db2.gz PYQHDSLSEOPROF-UHFFFAOYSA-N 0 3 306.381 2.125 20 30 DEEDHN CN(C(=O)CN1CC[C@@H](O)C12CCCC2)C1(C#N)CCCCC1 ZINC000333458894 226106578 /nfs/dbraw/zinc/10/65/78/226106578.db2.gz PBZMSPHBCRMONU-OAHLLOKOSA-N 0 3 319.449 2.051 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333426099 226106661 /nfs/dbraw/zinc/10/66/61/226106661.db2.gz SRARTTRBXNPKBW-ZBFHGGJFSA-N 0 3 319.449 2.028 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000337560684 226138907 /nfs/dbraw/zinc/13/89/07/226138907.db2.gz VCKAJVQWJAPQQU-IJEWVQPXSA-N 0 3 313.401 2.298 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCc2ccc(NC(=O)[C@H](C)C#N)cc21 ZINC000337619770 226139681 /nfs/dbraw/zinc/13/96/81/226139681.db2.gz NPZPBKWACXKHRB-WQGACYEGSA-N 0 3 324.384 2.438 20 30 DEEDHN N#CCCOCCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000338895923 226174210 /nfs/dbraw/zinc/17/42/10/226174210.db2.gz ZEPROHBDSCNUDB-OAHLLOKOSA-N 0 3 301.390 2.267 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)COCC(C)C ZINC000299450948 229125937 /nfs/dbraw/zinc/12/59/37/229125937.db2.gz WMMISIIQZXLTBE-SFHVURJKSA-N 0 3 320.433 2.040 20 30 DEEDHN Cc1cc(NC(=O)CCN[C@@H](CCC#N)c2ccccc2)no1 ZINC000553054963 424876994 /nfs/dbraw/zinc/87/69/94/424876994.db2.gz YOBHADDLZYENDB-HNNXBMFYSA-N 0 3 312.373 2.946 20 30 DEEDHN CC[C@@H](C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21)N(CC)CC ZINC000593844388 425009266 /nfs/dbraw/zinc/00/92/66/425009266.db2.gz MXUHIPXPAASMPM-HNNXBMFYSA-N 0 3 313.405 2.802 20 30 DEEDHN CSc1ccc([C@@H](CNc2ccc(C#N)nn2)N(C)C)cc1 ZINC000590150766 424996890 /nfs/dbraw/zinc/99/68/90/424996890.db2.gz CDFZTACJDCFVKT-OAHLLOKOSA-N 0 3 313.430 2.785 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000649366198 425001471 /nfs/dbraw/zinc/00/14/71/425001471.db2.gz ROTLBKTXBLCRCW-MRXNPFEDSA-N 0 3 322.474 2.056 20 30 DEEDHN COc1ccc([C@H](CN2CCCC2)Nc2cc(C#N)cnn2)cc1 ZINC000596189158 425021371 /nfs/dbraw/zinc/02/13/71/425021371.db2.gz OTHWGMQREXXKIG-KRWDZBQOSA-N 0 3 323.400 2.606 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@@H](C)CO)CC2)CC1 ZINC000650852312 425066813 /nfs/dbraw/zinc/06/68/13/425066813.db2.gz ZAJWNESZAWFHEO-HNNXBMFYSA-N 0 3 323.481 2.077 20 30 DEEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000651725499 425144713 /nfs/dbraw/zinc/14/47/13/425144713.db2.gz GSJKKIPFHMDHPO-KFWWJZLASA-N 0 3 302.422 2.168 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC(F)(F)F)nn1 ZINC000653744826 425220219 /nfs/dbraw/zinc/22/02/19/425220219.db2.gz SGZKWXCABGFWLI-NEPJUHHUSA-N 0 3 317.311 2.241 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000664222514 425335375 /nfs/dbraw/zinc/33/53/75/425335375.db2.gz WEZIJIIKOOCTNH-MRXNPFEDSA-N 0 3 324.513 2.304 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661232369 425356961 /nfs/dbraw/zinc/35/69/61/425356961.db2.gz FHXYXFOTDOYABR-OAHLLOKOSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CC[C@H]1CCCN([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000661379722 425394289 /nfs/dbraw/zinc/39/42/89/425394289.db2.gz HIYCSYMOOXKPEQ-GJZGRUSLSA-N 0 3 302.422 2.204 20 30 DEEDHN C=CCOCCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000655783850 425654799 /nfs/dbraw/zinc/65/47/99/425654799.db2.gz NIIFJKPJEOGCJF-UHFFFAOYSA-N 0 3 311.451 2.024 20 30 DEEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@H](CN)C(F)(F)F ZINC000655913811 425684941 /nfs/dbraw/zinc/68/49/41/425684941.db2.gz JOJBWYYSUJOEDI-GFCCVEGCSA-N 0 3 319.302 2.413 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000655955134 425694845 /nfs/dbraw/zinc/69/48/45/425694845.db2.gz ZYGCBRVZZQHLPO-UHFFFAOYSA-N 0 3 303.406 2.207 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccsc1Cl ZINC000656533260 425786665 /nfs/dbraw/zinc/78/66/65/425786665.db2.gz SVFQXGSJARLVDQ-QMMMGPOBSA-N 0 3 307.824 2.007 20 30 DEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CN(C)C(=O)O1 ZINC000495733027 269173266 /nfs/dbraw/zinc/17/32/66/269173266.db2.gz YXKCHPFLLYRXPY-MRXNPFEDSA-N 0 3 301.390 2.467 20 30 DEEDHN CC(C)(C)N1CCCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000517216529 269379484 /nfs/dbraw/zinc/37/94/84/269379484.db2.gz XTWGHVMNZRMDAT-UHFFFAOYSA-N 0 3 314.433 2.337 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1C ZINC001088923100 782048440 /nfs/dbraw/zinc/04/84/40/782048440.db2.gz QPHKMAOVUZUDBS-CPUCHLNUSA-N 0 3 312.413 2.226 20 30 DEEDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000411956270 274073097 /nfs/dbraw/zinc/07/30/97/274073097.db2.gz VGXZKRPLKOWOSX-SJCJKPOMSA-N 0 3 319.405 2.500 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000288221544 274401111 /nfs/dbraw/zinc/40/11/11/274401111.db2.gz DUIOOBAFUGKUPV-DOMZBBRYSA-N 0 3 301.365 2.396 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000369756062 275379368 /nfs/dbraw/zinc/37/93/68/275379368.db2.gz CGZHYPUEZGYTQP-PZJWPPBQSA-N 0 3 322.452 2.494 20 30 DEEDHN C#CCSCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287433775 275384942 /nfs/dbraw/zinc/38/49/42/275384942.db2.gz MEWNTBUITJYZTL-GOEBONIOSA-N 0 3 319.474 2.343 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328703181 276168040 /nfs/dbraw/zinc/16/80/40/276168040.db2.gz OBKLQSRWXIGKBH-OLZOCXBDSA-N 0 3 308.426 2.016 20 30 DEEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@H]1C ZINC000349831014 276242982 /nfs/dbraw/zinc/24/29/82/276242982.db2.gz HBLZNCAOBOSCKD-ZIAGYGMSSA-N 0 3 324.432 2.273 20 30 DEEDHN CC(C)(C)n1cc(C(=O)NC[C@H]2CCCCN2C2CC2)nn1 ZINC000329957975 277282204 /nfs/dbraw/zinc/28/22/04/277282204.db2.gz PRMFZMUSNYQAIR-CYBMUJFWSA-N 0 3 305.426 2.355 20 30 DEEDHN C#CCC(CC#C)C(=O)NC[C@@H](C(C)C)N(CC=C)CC=C ZINC000287617851 277670543 /nfs/dbraw/zinc/67/05/43/277670543.db2.gz PKYJGLRKCWHVLD-SFHVURJKSA-N 0 3 300.446 2.464 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000294489149 277694531 /nfs/dbraw/zinc/69/45/31/277694531.db2.gz PNIWJCZILGVZGG-RDJZCZTQSA-N 0 3 302.418 2.224 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)CCCC)C(C)C ZINC000283666107 277849812 /nfs/dbraw/zinc/84/98/12/277849812.db2.gz BWDKSDYXOSBHRC-MRXNPFEDSA-N 0 3 323.481 2.060 20 30 DEEDHN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433350262 277900817 /nfs/dbraw/zinc/90/08/17/277900817.db2.gz BIQYDUBENIAGBO-OAHLLOKOSA-N 0 3 308.447 2.477 20 30 DEEDHN CC(C)(C#N)CCCN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000174823657 278256996 /nfs/dbraw/zinc/25/69/96/278256996.db2.gz AXVDACDZHYHMTB-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000408122711 279087715 /nfs/dbraw/zinc/08/77/15/279087715.db2.gz ZALWRRRGMDOXBV-RISCZKNCSA-N 0 3 318.808 2.305 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ncc(C#N)cc1Cl ZINC000427909572 279309943 /nfs/dbraw/zinc/30/99/43/279309943.db2.gz CANRUVYDSZIJQC-VXGBXAGGSA-N 0 3 320.824 2.457 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276507127 289112668 /nfs/dbraw/zinc/11/26/68/289112668.db2.gz YIPKLZGEDHKREO-MRXNPFEDSA-N 0 3 313.401 2.051 20 30 DEEDHN C[C@H](CCC#N)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000411437941 298364268 /nfs/dbraw/zinc/36/42/68/298364268.db2.gz BBMBHZZNEQYJJR-BRWVUGGUSA-N 0 3 323.481 2.269 20 30 DEEDHN C[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294992159 300296471 /nfs/dbraw/zinc/29/64/71/300296471.db2.gz QTOGIYOWLYWRGN-GFCCVEGCSA-N 0 3 300.362 2.387 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000567692712 325842273 /nfs/dbraw/zinc/84/22/73/325842273.db2.gz AWYDQCRMOKPMJM-CYBMUJFWSA-N 0 3 313.382 2.021 20 30 DEEDHN CN(C)CCN(C(=O)Nc1cccc(C#N)n1)C1CCCC1 ZINC000573116979 326025416 /nfs/dbraw/zinc/02/54/16/326025416.db2.gz BEYYUGNBMYEOOW-UHFFFAOYSA-N 0 3 301.394 2.291 20 30 DEEDHN COc1cc(CNC[C@@H](O)COc2ccccc2)ccc1C#N ZINC000574237502 326135902 /nfs/dbraw/zinc/13/59/02/326135902.db2.gz RWRFGTMKUYXENR-MRXNPFEDSA-N 0 3 312.369 2.096 20 30 DEEDHN N#Cc1cncc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000574394367 326149706 /nfs/dbraw/zinc/14/97/06/326149706.db2.gz AQDGAKWOVCQUQU-DOTOQJQBSA-N 0 3 305.385 2.059 20 30 DEEDHN Cn1ccnc1[C@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000575769167 326244935 /nfs/dbraw/zinc/24/49/35/326244935.db2.gz KLLZYUFASYUZLI-HNNXBMFYSA-N 0 3 323.400 2.110 20 30 DEEDHN CCN(C)C[C@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000584302120 332230571 /nfs/dbraw/zinc/23/05/71/332230571.db2.gz SKGHGKAYOGHYKV-JTQLQIEISA-N 0 3 319.352 2.377 20 30 DEEDHN Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cnc21 ZINC000531102001 332262130 /nfs/dbraw/zinc/26/21/30/332262130.db2.gz PQWPBFQZZQPSLR-LBPRGKRZSA-N 0 3 316.324 2.335 20 30 DEEDHN N#Cc1nccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000583391622 332383083 /nfs/dbraw/zinc/38/30/83/332383083.db2.gz AGHAQNGRCVXKTB-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)NCC3CCC(C#N)CC3)C2)C1 ZINC000333567269 336206063 /nfs/dbraw/zinc/20/60/63/336206063.db2.gz HYSGQFFFHJYCEC-LEOMRAHMSA-N 0 3 318.465 2.444 20 30 DEEDHN COCCN(C)c1ccc(CN2CCC(CC#N)CC2)cn1 ZINC000563927609 336384474 /nfs/dbraw/zinc/38/44/74/336384474.db2.gz DHCAUPCLKUADCS-UHFFFAOYSA-N 0 3 302.422 2.290 20 30 DEEDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ccnc(C#N)n1 ZINC000398018271 337304069 /nfs/dbraw/zinc/30/40/69/337304069.db2.gz IOZPKZBICLDXGB-INIZCTEOSA-N 0 3 309.417 2.339 20 30 DEEDHN CC1(C)CC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000584419233 337323037 /nfs/dbraw/zinc/32/30/37/337323037.db2.gz ZORJBQPVWOMHEP-OAHLLOKOSA-N 0 3 323.400 2.461 20 30 DEEDHN CC(C)Oc1cccc(CN(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424164320 337788575 /nfs/dbraw/zinc/78/85/75/337788575.db2.gz CBXXKWQTMPQMRK-INIZCTEOSA-N 0 3 303.406 2.453 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000424167822 337790507 /nfs/dbraw/zinc/79/05/07/337790507.db2.gz FHYKLBHNEMCEJG-YESZJQIVSA-N 0 3 315.417 2.262 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](CCCC(=O)OC)C2)nn1 ZINC000424169672 337792425 /nfs/dbraw/zinc/79/24/25/337792425.db2.gz IRWSAKFQPSCYGO-HUUCEWRRSA-N 0 3 320.437 2.456 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCC[C@H](CCCC(=O)OC)C2)nn1 ZINC000424169666 337792455 /nfs/dbraw/zinc/79/24/55/337792455.db2.gz IRWSAKFQPSCYGO-CABCVRRESA-N 0 3 320.437 2.456 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCSc2ccccc21 ZINC000516257646 338009007 /nfs/dbraw/zinc/00/90/07/338009007.db2.gz CBJCFRMQFZAXMS-DZGCQCFKSA-N 0 3 305.447 2.019 20 30 DEEDHN CC#CCN(C)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496201710 340000388 /nfs/dbraw/zinc/00/03/88/340000388.db2.gz XOPDRERTBZJHLH-KRWDZBQOSA-N 0 3 310.438 2.094 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000497056872 340019176 /nfs/dbraw/zinc/01/91/76/340019176.db2.gz MDNIIGNMIBXEJB-FDYHWXHSSA-N 0 3 309.410 2.296 20 30 DEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1ccc(C(F)(F)F)cn1 ZINC000505467900 340169193 /nfs/dbraw/zinc/16/91/93/340169193.db2.gz QGSXRLDNYXQOLJ-MNOVXSKESA-N 0 3 313.279 2.003 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)CCC2CCOCC2)CC1 ZINC000176598571 340429123 /nfs/dbraw/zinc/42/91/23/340429123.db2.gz LMLWVNUGJIHNMN-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN CC[C@H](CNC(=O)NC[C@H](C)C#N)N1CCc2ccccc2C1 ZINC000543802709 341059594 /nfs/dbraw/zinc/05/95/94/341059594.db2.gz GYDVMDWEVCXUIH-RHSMWYFYSA-N 0 3 314.433 2.282 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1n[nH]c2c1CCC2)C(C)C ZINC000078504729 341243243 /nfs/dbraw/zinc/24/32/43/341243243.db2.gz NRCKFMBJKULDKL-INIZCTEOSA-N 0 3 316.449 2.327 20 30 DEEDHN COC1CCN(C2(CNC[C@H](C#N)CCC#N)CCCC2)CC1 ZINC000548786990 341275621 /nfs/dbraw/zinc/27/56/21/341275621.db2.gz QLWFHAJGIHKXCU-INIZCTEOSA-N 0 3 318.465 2.443 20 30 DEEDHN C[C@@H](C#N)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552014585 341360689 /nfs/dbraw/zinc/36/06/89/341360689.db2.gz POTHDGAKSOEGPH-ZFWWWQNUSA-N 0 3 321.371 2.420 20 30 DEEDHN CCC[C@]1(COC)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248738272 341385462 /nfs/dbraw/zinc/38/54/62/341385462.db2.gz OFQFEPNHGFVSOE-IAGOWNOFSA-N 0 3 307.438 2.076 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000565290526 341522855 /nfs/dbraw/zinc/52/28/55/341522855.db2.gz GBLHNYNRGQNLLS-SOUVJXGZSA-N 0 3 319.449 2.265 20 30 DEEDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)c1 ZINC000568077389 341650188 /nfs/dbraw/zinc/65/01/88/341650188.db2.gz PZTDKCBXIBCLBB-NVXWUHKLSA-N 0 3 319.449 2.331 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001376449341 1159433864 /nfs/dbraw/zinc/43/38/64/1159433864.db2.gz WZQYLCGIYWSGSJ-JLLWLGSASA-N 0 3 309.772 2.376 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(OCC)cc2)[C@H]1C ZINC001089022268 782118880 /nfs/dbraw/zinc/11/88/80/782118880.db2.gz KFZHCSSPTOCFJS-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001378440519 1152329159 /nfs/dbraw/zinc/32/91/59/1152329159.db2.gz ZRMUSWSJAACKLU-KBRIMQKVSA-N 0 3 310.401 2.235 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001329998103 1149030243 /nfs/dbraw/zinc/03/02/43/1149030243.db2.gz CDKUQZKXPLEZJZ-LBPRGKRZSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)[C@H]1C ZINC001089069950 782147627 /nfs/dbraw/zinc/14/76/27/782147627.db2.gz HIJIMFZMRSBZEQ-MOXGXCLJSA-N 0 3 310.441 2.493 20 30 DEEDHN C=CC[N@@H+](C)CCN(CC)Cc1nnc(-c2ccccc2[O-])o1 ZINC001473432664 1152428915 /nfs/dbraw/zinc/42/89/15/1152428915.db2.gz VVRCQMJYGCJWEB-UHFFFAOYSA-N 0 3 316.405 2.382 20 30 DEEDHN C=CC[N@H+](C)CCN(CC)Cc1nnc(-c2ccccc2[O-])o1 ZINC001473432664 1152428917 /nfs/dbraw/zinc/42/89/17/1152428917.db2.gz VVRCQMJYGCJWEB-UHFFFAOYSA-N 0 3 316.405 2.382 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378746060 1152433473 /nfs/dbraw/zinc/43/34/73/1152433473.db2.gz ZJURQUYIHGEHBW-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@H]1CCCCO1 ZINC001378757217 1152436899 /nfs/dbraw/zinc/43/68/99/1152436899.db2.gz PJYLEKKKWMFFQA-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@H]1C ZINC001089087278 782160000 /nfs/dbraw/zinc/16/00/00/782160000.db2.gz XWQJVYGLBPYOMK-YPMHNXCESA-N 0 3 315.373 2.302 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC(C)(C)O)C1 ZINC000330994231 534132396 /nfs/dbraw/zinc/13/23/96/534132396.db2.gz VXNBEMHJJMQGNH-ZBFHGGJFSA-N 0 3 319.449 2.439 20 30 DEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCC[C@@H](C#N)C1 ZINC000248878550 534169134 /nfs/dbraw/zinc/16/91/34/534169134.db2.gz KCYKRAYCWFBHOZ-FMKPAKJESA-N 0 3 310.401 2.457 20 30 DEEDHN C[C@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)C1=CCN(C)CC1 ZINC000330787768 534280276 /nfs/dbraw/zinc/28/02/76/534280276.db2.gz PRHOGBYZXIFGAE-AMXDTQDGSA-N 0 3 321.446 2.400 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000268136198 534288970 /nfs/dbraw/zinc/28/89/70/534288970.db2.gz JKJMKYYTGQBQTR-BFYDXBDKSA-N 0 3 314.433 2.450 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001378870145 1152473537 /nfs/dbraw/zinc/47/35/37/1152473537.db2.gz KXPFLHGGWPIOIZ-TUVASFSCSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000453416295 534450182 /nfs/dbraw/zinc/45/01/82/534450182.db2.gz VXTFYIMYGWYQTB-RRFJBIMHSA-N 0 3 319.453 2.235 20 30 DEEDHN CCOCCO[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000157651755 520031141 /nfs/dbraw/zinc/03/11/41/520031141.db2.gz DLOPSYZCMVNMPQ-KRWDZBQOSA-N 0 3 304.390 2.064 20 30 DEEDHN CN(C)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000339201207 522010880 /nfs/dbraw/zinc/01/08/80/522010880.db2.gz DUFSVLUHEIFIGT-SFHVURJKSA-N 0 3 322.412 2.389 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NCc1ccccc1Cl ZINC000451597134 534610706 /nfs/dbraw/zinc/61/07/06/534610706.db2.gz HGLVNBWHCXTVOB-DFBGVHRSSA-N 0 3 308.809 2.278 20 30 DEEDHN N#CCCCS(=O)(=O)NC[C@H]1CCCN1C1CCCCC1 ZINC000373905063 534625564 /nfs/dbraw/zinc/62/55/64/534625564.db2.gz QIYHFVKXUXWORK-OAHLLOKOSA-N 0 3 313.467 2.007 20 30 DEEDHN CN(C[C@H]1CCCOC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245499780 523132392 /nfs/dbraw/zinc/13/23/92/523132392.db2.gz YVIKCGPZTWDRGI-WBVHZDCISA-N 0 3 313.401 2.022 20 30 DEEDHN N#Cc1cccc(C2(NC[C@@H](O)COCC(F)(F)F)CC2)c1 ZINC000292799368 534803248 /nfs/dbraw/zinc/80/32/48/534803248.db2.gz BKJYIVCQVAAWLN-CYBMUJFWSA-N 0 3 314.307 2.077 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cc(C)no2)CC1 ZINC000332051430 526427612 /nfs/dbraw/zinc/42/76/12/526427612.db2.gz XJUWVHMRIGLGJQ-HNNXBMFYSA-N 0 3 318.421 2.480 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CCOC)C(C)(C)C)CC1 ZINC000338039044 526436531 /nfs/dbraw/zinc/43/65/31/526436531.db2.gz GCQYZKZUVWKONP-HNNXBMFYSA-N 0 3 311.470 2.387 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@](C)(O)c2ccc(Cl)cc2)CC1 ZINC000293012171 526445003 /nfs/dbraw/zinc/44/50/03/526445003.db2.gz HDTASZLHPASLKQ-KRWDZBQOSA-N 0 3 322.836 2.314 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccncc2C(F)(F)F)CC1 ZINC000193080927 526449731 /nfs/dbraw/zinc/44/97/31/526449731.db2.gz IJFMLOFAWDCWHH-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000428864031 526586025 /nfs/dbraw/zinc/58/60/25/526586025.db2.gz AJMQAJATZIHCSF-CQSZACIVSA-N 0 3 303.406 2.470 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OC)C[C@H]2C)CC1 ZINC000441188871 526587427 /nfs/dbraw/zinc/58/74/27/526587427.db2.gz MGKPCFUOLNEZOF-GDBMZVCRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C)ccn2)CC1 ZINC000296630200 526591737 /nfs/dbraw/zinc/59/17/37/526591737.db2.gz LVUDRUODSLXJJM-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000294800155 526742191 /nfs/dbraw/zinc/74/21/91/526742191.db2.gz BUIKESMIPUGQTJ-GDBMZVCRSA-N 0 3 312.413 2.444 20 30 DEEDHN C#CCCOc1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370904842 526744817 /nfs/dbraw/zinc/74/48/17/526744817.db2.gz LUXFATUXTWGUAM-KRWDZBQOSA-N 0 3 324.428 2.191 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000297424353 526819752 /nfs/dbraw/zinc/81/97/52/526819752.db2.gz SFNAAHMLGMNBMG-GFCCVEGCSA-N 0 3 309.360 2.280 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](OCC)c2ccccc2)CC1 ZINC000192770974 526925987 /nfs/dbraw/zinc/92/59/87/526925987.db2.gz JUSDHVIALLMISN-GOSISDBHSA-N 0 3 314.429 2.226 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000341445659 526953556 /nfs/dbraw/zinc/95/35/56/526953556.db2.gz CFKREXOFQOPSIA-CQSZACIVSA-N 0 3 303.406 2.060 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000341475409 526991850 /nfs/dbraw/zinc/99/18/50/526991850.db2.gz HZTOFTIXPWXZCI-IBGZPJMESA-N 0 3 316.445 2.342 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000294807724 527080710 /nfs/dbraw/zinc/08/07/10/527080710.db2.gz BVGUZTUNUNJLOI-IAGOWNOFSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCCCCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368620505 527115332 /nfs/dbraw/zinc/11/53/32/527115332.db2.gz ZZCQZXCVERBBOD-HOTGVXAUSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCCCCCN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000193306324 527131981 /nfs/dbraw/zinc/13/19/81/527131981.db2.gz UMAMXERBEOWSON-UHFFFAOYSA-N 0 3 307.482 2.363 20 30 DEEDHN C=CCCCN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368072760 527196764 /nfs/dbraw/zinc/19/67/64/527196764.db2.gz CQQLGYVLTZDPET-OAHLLOKOSA-N 0 3 300.468 2.279 20 30 DEEDHN C=CCCS(=O)(=O)N(CCC)CCN1CCCCCC1 ZINC000341892086 527406656 /nfs/dbraw/zinc/40/66/56/527406656.db2.gz SXKIORXYWGUTBG-UHFFFAOYSA-N 0 3 302.484 2.480 20 30 DEEDHN C(=N/OCC[C@H]1CCCO1)\c1ccc(N2CCOCC2)cc1 ZINC000189197246 527474086 /nfs/dbraw/zinc/47/40/86/527474086.db2.gz CKBVEFXALUVKFF-SOGDLCAJSA-N 0 3 304.390 2.443 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248989041 527522634 /nfs/dbraw/zinc/52/26/34/527522634.db2.gz WVFVJWDVCCPYSB-MJGOQNOKSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCN1C1CC1)C(C)C ZINC000426417746 527650032 /nfs/dbraw/zinc/65/00/32/527650032.db2.gz CCCJILJLKIALAG-ZWKOTPCHSA-N 0 3 319.493 2.428 20 30 DEEDHN CCC[C@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC000292695411 528014062 /nfs/dbraw/zinc/01/40/62/528014062.db2.gz NTKVRNGCGPTAJZ-ZDUSSCGKSA-N 0 3 303.406 2.209 20 30 DEEDHN CC(C)[C@H](NCC(=O)Nc1sccc1C#N)C1(CO)CCC1 ZINC000293019006 529119196 /nfs/dbraw/zinc/11/91/96/529119196.db2.gz KISIXGAIOMPLCV-AWEZNQCLSA-N 0 3 321.446 2.335 20 30 DEEDHN CCSCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000282761489 529177003 /nfs/dbraw/zinc/17/70/03/529177003.db2.gz VKQUNIKMSBNEBJ-HNNXBMFYSA-N 0 3 301.415 2.500 20 30 DEEDHN CCC(CC)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)N(C)C ZINC000193099413 535110648 /nfs/dbraw/zinc/11/06/48/535110648.db2.gz WLLVBDYXQZAYQI-MRXNPFEDSA-N 0 3 323.462 2.203 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1nc(C)c[nH]1 ZINC001369742834 1149130444 /nfs/dbraw/zinc/13/04/44/1149130444.db2.gz FLUPWHMVTGXTHS-QWHCGFSZSA-N 0 3 310.829 2.443 20 30 DEEDHN C[C@@H](OCc1ccc(F)cc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835057915 649873331 /nfs/dbraw/zinc/87/33/31/649873331.db2.gz GULKUMNAFRYFMR-DOMZBBRYSA-N 0 3 318.348 2.062 20 30 DEEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccccc1)[N+](=O)[O-] ZINC000835062611 649874001 /nfs/dbraw/zinc/87/40/01/649874001.db2.gz DRGGPPSGBOFQSO-GFCCVEGCSA-N 0 3 303.318 2.169 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSC(F)F)cc1 ZINC000835066379 649874341 /nfs/dbraw/zinc/87/43/41/649874341.db2.gz ZUSKJWCVAXAXTL-JTQLQIEISA-N 0 3 314.313 2.298 20 30 DEEDHN CCN(Cc1ccccc1NC(=O)[C@@H](N)CCCC#N)C(C)=O ZINC001327915659 1148675957 /nfs/dbraw/zinc/67/59/57/1148675957.db2.gz CVOZMODTXJEGKV-HNNXBMFYSA-N 0 3 316.405 2.015 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H](C)C1CC1 ZINC001379361367 1152615202 /nfs/dbraw/zinc/61/52/02/1152615202.db2.gz PDGVDWAKFHMKOQ-VXGBXAGGSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CC1(C)C ZINC001379492365 1152632723 /nfs/dbraw/zinc/63/27/23/1152632723.db2.gz PAZBYYBJPOJMJE-SMDDNHRTSA-N 0 3 303.381 2.338 20 30 DEEDHN C[N@@H+]1CCC[C@@H]2CN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941016 604496628 /nfs/dbraw/zinc/49/66/28/604496628.db2.gz PRVYMEYNMXVJNA-BRWVUGGUSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@H+]1CCC[C@@H]2CN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941016 604496630 /nfs/dbraw/zinc/49/66/30/604496630.db2.gz PRVYMEYNMXVJNA-BRWVUGGUSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941016 604496631 /nfs/dbraw/zinc/49/66/31/604496631.db2.gz PRVYMEYNMXVJNA-BRWVUGGUSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941016 604496632 /nfs/dbraw/zinc/49/66/32/604496632.db2.gz PRVYMEYNMXVJNA-BRWVUGGUSA-N 0 3 313.401 2.100 20 30 DEEDHN COc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H](C)C#N)cc1C ZINC001379648074 1152664067 /nfs/dbraw/zinc/66/40/67/1152664067.db2.gz ZVKABPNKUTUVFU-KBPBESRZSA-N 0 3 303.406 2.100 20 30 DEEDHN C=CCCC[N@@H+](C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823894878 607923104 /nfs/dbraw/zinc/92/31/04/607923104.db2.gz YXNVUHHHQOVNOM-UHFFFAOYSA-N 0 3 315.377 2.051 20 30 DEEDHN C=CCCC[N@H+](C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823894878 607923105 /nfs/dbraw/zinc/92/31/05/607923105.db2.gz YXNVUHHHQOVNOM-UHFFFAOYSA-N 0 3 315.377 2.051 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001380059929 1152741945 /nfs/dbraw/zinc/74/19/45/1152741945.db2.gz YHKYCXOGYUDBSS-SMDDNHRTSA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](C)N(C)CCOc1cccc(Cl)c1 ZINC001381507613 1153102100 /nfs/dbraw/zinc/10/21/00/1153102100.db2.gz HDUOVCFZMIKIKX-STQMWFEESA-N 0 3 323.824 2.315 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001355380145 1152007201 /nfs/dbraw/zinc/00/72/01/1152007201.db2.gz TUIJPIQKBXHIGO-QGZVFWFLSA-N 0 3 310.401 2.285 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001023464636 625279908 /nfs/dbraw/zinc/27/99/08/625279908.db2.gz HCTFJWGWIFMYNH-LLVKDONJSA-N 0 3 320.824 2.016 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(F)ccc2CC)C1 ZINC001023466831 625283084 /nfs/dbraw/zinc/28/30/84/625283084.db2.gz PAIOIKORPVCSDT-AWEZNQCLSA-N 0 3 302.393 2.463 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2nncc3ccccc32)C1 ZINC001023481260 625290914 /nfs/dbraw/zinc/29/09/14/625290914.db2.gz CWNRWAWXVPQAGY-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1(O)CCC1 ZINC001025232208 625291436 /nfs/dbraw/zinc/29/14/36/625291436.db2.gz LFPWDRFJJJYPCZ-DLBZAZTESA-N 0 3 318.461 2.160 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001023488174 625292325 /nfs/dbraw/zinc/29/23/25/625292325.db2.gz XVALAOHQMCCLCM-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001023494648 625298705 /nfs/dbraw/zinc/29/87/05/625298705.db2.gz ONQKHLPGLVMARF-HUUCEWRRSA-N 0 3 312.413 2.085 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001023526980 625309298 /nfs/dbraw/zinc/30/92/98/625309298.db2.gz NLGSWZHOTOWCJI-CYBMUJFWSA-N 0 3 306.431 2.222 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ocnc2C(F)(F)F)C[C@@H]1C ZINC000947572846 625343628 /nfs/dbraw/zinc/34/36/28/625343628.db2.gz UXLFMVCQHCCKEW-VHSXEESVSA-N 0 3 317.311 2.462 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001023628168 625361829 /nfs/dbraw/zinc/36/18/29/625361829.db2.gz ZNACQXAYQHSHMY-INIZCTEOSA-N 0 3 314.429 2.469 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2nc(C)ncc2Cl)C1 ZINC001023630127 625362650 /nfs/dbraw/zinc/36/26/50/625362650.db2.gz WLRNYJXDDAEVDO-LBPRGKRZSA-N 0 3 308.813 2.066 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001023631453 625363709 /nfs/dbraw/zinc/36/37/09/625363709.db2.gz UPRXMPGHDMJBFT-OAHLLOKOSA-N 0 3 316.449 2.319 20 30 DEEDHN CNC(=S)N(C)N=C1CCN(CCc2ccccc2)CC1 ZINC000841646907 625368769 /nfs/dbraw/zinc/36/87/69/625368769.db2.gz MQZKCSXRSCQCPH-UHFFFAOYSA-N 0 3 304.463 2.117 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3ccncc3c2)C1 ZINC001023690177 625391512 /nfs/dbraw/zinc/39/15/12/625391512.db2.gz XHOKCBQIQQMGIT-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(F)cn2)C1 ZINC001025396594 625402436 /nfs/dbraw/zinc/40/24/36/625402436.db2.gz HRCJWEASJKQRQG-UONOGXRCSA-N 0 3 303.381 2.074 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)ccn2C)C1 ZINC001025400795 625404734 /nfs/dbraw/zinc/40/47/34/625404734.db2.gz NCEFFWCHUDQIAR-JKSUJKDBSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3cccnc3n2)C1 ZINC001025419828 625419143 /nfs/dbraw/zinc/41/91/43/625419143.db2.gz OYKRUTSIQYESKU-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(CC)ccn2)C1 ZINC001025425359 625423331 /nfs/dbraw/zinc/42/33/31/625423331.db2.gz PAPOHJSKJUPUBE-WBVHZDCISA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001025434887 625430956 /nfs/dbraw/zinc/43/09/56/625430956.db2.gz ZDBSOCNGTBSANU-CABCVRRESA-N 0 3 316.449 2.102 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001023762031 625428100 /nfs/dbraw/zinc/42/81/00/625428100.db2.gz PQJQCPXORPKYJG-CYBMUJFWSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2N(C)C)C1 ZINC001023774198 625433910 /nfs/dbraw/zinc/43/39/10/625433910.db2.gz ASVIIVWAUUVESG-INIZCTEOSA-N 0 3 313.445 2.218 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001025439861 625436934 /nfs/dbraw/zinc/43/69/34/625436934.db2.gz ODJQYQITSMXDMG-VXGBXAGGSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001008324613 625437313 /nfs/dbraw/zinc/43/73/13/625437313.db2.gz WRFFUZOBBNPAJJ-NVXWUHKLSA-N 0 3 300.377 2.069 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC001025440058 625437370 /nfs/dbraw/zinc/43/73/70/625437370.db2.gz PQGOGDQLZATGOF-TZMCWYRMSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3ncn(C)c32)C1 ZINC001025463892 625458293 /nfs/dbraw/zinc/45/82/93/625458293.db2.gz OKHIIPWHBPUZLK-LSDHHAIUSA-N 0 3 324.428 2.037 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cncc3[nH]ccc32)C1 ZINC001025467935 625461889 /nfs/dbraw/zinc/46/18/89/625461889.db2.gz GJDUQUMGKDGXIP-HUUCEWRRSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(COC)cs2)C1 ZINC001025475265 625467036 /nfs/dbraw/zinc/46/70/36/625467036.db2.gz SEVNIBGADYSPPG-ZFWWWQNUSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001025478934 625470295 /nfs/dbraw/zinc/47/02/95/625470295.db2.gz VHTFBXSKMBPGLQ-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)[nH]c2C)C1 ZINC001025547049 625535265 /nfs/dbraw/zinc/53/52/65/625535265.db2.gz XBPJXAUDTHJRDT-ZBFHGGJFSA-N 0 3 301.434 2.485 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC001025549814 625539851 /nfs/dbraw/zinc/53/98/51/625539851.db2.gz VXMNLJLHFSHUFV-HZPDHXFCSA-N 0 3 309.413 2.403 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000972778290 625550135 /nfs/dbraw/zinc/55/01/35/625550135.db2.gz SWBOXGWJHXELHN-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC000969170692 622602981 /nfs/dbraw/zinc/60/29/81/622602981.db2.gz PIQPERPVJIJOCR-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3cncc(F)c3)C2)cc1 ZINC001020457065 622685454 /nfs/dbraw/zinc/68/54/54/622685454.db2.gz DPGDIIHTJQDSDW-IYARVYRRSA-N 0 3 323.371 2.253 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnoc2C2CC2)C1 ZINC001025583869 625592847 /nfs/dbraw/zinc/59/28/47/625592847.db2.gz CEZOHOQJVNJVDZ-JSGCOSHPSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnoc2C2CC2)C1 ZINC001025585475 625597132 /nfs/dbraw/zinc/59/71/32/625597132.db2.gz OVBGPLQFVXRXHN-DZGCQCFKSA-N 0 3 315.417 2.406 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccnn2CC2CCC2)C1 ZINC000969675624 622880954 /nfs/dbraw/zinc/88/09/54/622880954.db2.gz UUQZRNSPOPAQJP-CQSZACIVSA-N 0 3 316.449 2.309 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1 ZINC000892788335 625608454 /nfs/dbraw/zinc/60/84/54/625608454.db2.gz CLLCKZKPQOBQHA-SFHVURJKSA-N 0 3 300.402 2.466 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000969723678 622898132 /nfs/dbraw/zinc/89/81/32/622898132.db2.gz XAQOAUZKFPGEPL-OAHLLOKOSA-N 0 3 314.429 2.385 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(OCC)nc2)C1 ZINC000969788829 622921540 /nfs/dbraw/zinc/92/15/40/622921540.db2.gz LPTPQNLIHJXPKA-ZDUSSCGKSA-N 0 3 303.406 2.107 20 30 DEEDHN C#C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000890648809 622940373 /nfs/dbraw/zinc/94/03/73/622940373.db2.gz SCVJTZGRENNJBO-QZTJIDSGSA-N 0 3 311.429 2.308 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001020622246 622968913 /nfs/dbraw/zinc/96/89/13/622968913.db2.gz STMVCIXVQJBRMQ-HDJSIYSDSA-N 0 3 306.793 2.224 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cnoc2-c2ccco2)C1 ZINC000969988761 623037903 /nfs/dbraw/zinc/03/79/03/623037903.db2.gz MSUUTCJQFBKDLY-GFCCVEGCSA-N 0 3 313.357 2.008 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000970036601 623070282 /nfs/dbraw/zinc/07/02/82/623070282.db2.gz BXAQYGNSZGMSNQ-GFCCVEGCSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001020774603 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CC#CCN1CC[C@H](NC(=O)c2ccn3c2CCCC3)C[C@H]1C ZINC000947396572 623601669 /nfs/dbraw/zinc/60/16/69/623601669.db2.gz XIIUHVFBMOYJIM-CVEARBPZSA-N 0 3 313.445 2.430 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2coc(C3CCCC3)n2)C1 ZINC000970666368 623603470 /nfs/dbraw/zinc/60/34/70/623603470.db2.gz XGKSLWWWDXJASB-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC000970716159 623638438 /nfs/dbraw/zinc/63/84/38/623638438.db2.gz OCAGTXZBCXHLFS-UONOGXRCSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCc2ccco2)C1 ZINC001021517112 623698259 /nfs/dbraw/zinc/69/82/59/623698259.db2.gz RDXZYSMXGZPCHQ-WBVHZDCISA-N 0 3 300.402 2.158 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)COC2CCCC2)C1 ZINC001021537391 623715608 /nfs/dbraw/zinc/71/56/08/623715608.db2.gz CBWSXSQMQNUAKX-FUHWJXTLSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cscn2)C1 ZINC001021539531 623720244 /nfs/dbraw/zinc/72/02/44/623720244.db2.gz 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C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2COc3ccccc32)C1 ZINC000970972698 623858078 /nfs/dbraw/zinc/85/80/78/623858078.db2.gz MHMOYZBRNQPZLB-BBRMVZONSA-N 0 3 300.402 2.175 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Cl)[nH]2)C1 ZINC001021671756 623931247 /nfs/dbraw/zinc/93/12/47/623931247.db2.gz VOLAPBYSSFMLGL-OCCSQVGLSA-N 0 3 305.809 2.228 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3c2OCC3)C1 ZINC001021673449 623936536 /nfs/dbraw/zinc/93/65/36/623936536.db2.gz IFQBYIPQCKPSEB-WMZOPIPTSA-N 0 3 324.424 2.181 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C3CC3)no2)C1 ZINC001021679648 623947712 /nfs/dbraw/zinc/94/77/12/623947712.db2.gz QCROCZQYMPAHFA-GOEBONIOSA-N 0 3 313.401 2.112 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3ccccn3c2)C1 ZINC001021681063 623949141 /nfs/dbraw/zinc/94/91/41/623949141.db2.gz DOFUELJUZGYVGG-LPHOPBHVSA-N 0 3 321.424 2.499 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn(C(C)C)c2)C1 ZINC001021709567 623993053 /nfs/dbraw/zinc/99/30/53/623993053.db2.gz 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COC(=O)C[C@@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000934031548 624692521 /nfs/dbraw/zinc/69/25/21/624692521.db2.gz KYGZGKQJLJAOSX-LLVKDONJSA-N 0 3 323.418 2.126 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000971895966 624697414 /nfs/dbraw/zinc/69/74/14/624697414.db2.gz LLABSBVRWMUXBA-GOEBONIOSA-N 0 3 320.820 2.362 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000848431052 624768885 /nfs/dbraw/zinc/76/88/85/624768885.db2.gz KDKWNAUKDUJSAA-QWRGUYRKSA-N 0 3 306.237 2.488 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001022596751 624772996 /nfs/dbraw/zinc/77/29/96/624772996.db2.gz SGXFTQBZVICOIS-TXEJJXNPSA-N 0 3 309.797 2.004 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)C1 ZINC000972045565 624793527 /nfs/dbraw/zinc/79/35/27/624793527.db2.gz OXDPPWIJYRWZAK-LSDHHAIUSA-N 0 3 318.417 2.181 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCc3snnc3C)C2)CC1 ZINC001022655252 624798499 /nfs/dbraw/zinc/79/84/99/624798499.db2.gz 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/nfs/dbraw/zinc/04/76/35/625047635.db2.gz AOKVMWFFUUBVDW-ZDUSSCGKSA-N 0 3 305.809 2.343 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001024776051 625052515 /nfs/dbraw/zinc/05/25/15/625052515.db2.gz PBQCTEPOTYLPBZ-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001024793518 625057413 /nfs/dbraw/zinc/05/74/13/625057413.db2.gz YTXWFHOBGWXYFO-INIZCTEOSA-N 0 3 301.434 2.250 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001020374585 625060324 /nfs/dbraw/zinc/06/03/24/625060324.db2.gz IXFAODFXBQDJCI-HDJSIYSDSA-N 0 3 314.857 2.429 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H]1CCCCN1C(C)=O ZINC001024833222 625075645 /nfs/dbraw/zinc/07/56/45/625075645.db2.gz AXBWOEOKDFQEFL-MRXNPFEDSA-N 0 3 301.390 2.057 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3nsnc32)C1 ZINC001022920689 625098079 /nfs/dbraw/zinc/09/80/79/625098079.db2.gz LBWWLQCMTRBQPS-AOOOYVTPSA-N 0 3 322.821 2.294 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2csc(C3CC3)n2)C1 ZINC000972488957 625124226 /nfs/dbraw/zinc/12/42/26/625124226.db2.gz FGMOEEWBQDZVFF-CQSZACIVSA-N 0 3 305.447 2.282 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC001023094042 625153783 /nfs/dbraw/zinc/15/37/83/625153783.db2.gz WSYWVYNOIVPFPL-TXEJJXNPSA-N 0 3 322.840 2.282 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001023151972 625170628 /nfs/dbraw/zinc/17/06/28/625170628.db2.gz OQKBPAHWENBKHC-RFQIPJPRSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001026196000 625175964 /nfs/dbraw/zinc/17/59/64/625175964.db2.gz BRSFFNQCUPVNGO-NUEKZKHPSA-N 0 3 300.402 2.409 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)C[C@@H]1C ZINC000947546027 625191450 /nfs/dbraw/zinc/19/14/50/625191450.db2.gz ADNLYBKRYJNCMG-DZGCQCFKSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001025069297 625192551 /nfs/dbraw/zinc/19/25/51/625192551.db2.gz HGPJETXTHGIWJT-WMZOPIPTSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001023368878 625242332 /nfs/dbraw/zinc/24/23/32/625242332.db2.gz YTXMKPWHVCCQJU-OAHLLOKOSA-N 0 3 316.449 2.073 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2sc(Cl)nc2C)C1 ZINC001023390067 625248063 /nfs/dbraw/zinc/24/80/63/625248063.db2.gz ATUJLYXRZFRFJC-LLVKDONJSA-N 0 3 311.838 2.180 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2ncnc3ccsc32)C1 ZINC001023408237 625257648 /nfs/dbraw/zinc/25/76/48/625257648.db2.gz MZPMMCWGUGILDQ-GFCCVEGCSA-N 0 3 316.430 2.319 20 30 DEEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2n1 ZINC000179008053 625265377 /nfs/dbraw/zinc/26/53/77/625265377.db2.gz DFILJGQFDZJHGN-LLVKDONJSA-N 0 3 320.308 2.492 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001025212724 625269290 /nfs/dbraw/zinc/26/92/90/625269290.db2.gz YNVRTRGIGIARRA-IRXDYDNUSA-N 0 3 314.433 2.201 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001023443324 625269430 /nfs/dbraw/zinc/26/94/30/625269430.db2.gz JKKNWACQSBPICN-AWEZNQCLSA-N 0 3 305.447 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001025214536 625273684 /nfs/dbraw/zinc/27/36/84/625273684.db2.gz BCXPUAXWMJGVFV-QZTJIDSGSA-N 0 3 311.429 2.482 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(CC)cn1 ZINC000892464689 625736787 /nfs/dbraw/zinc/73/67/87/625736787.db2.gz ISGYPDZNMPEWKD-OAHLLOKOSA-N 0 3 301.390 2.202 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc(OCC)c2)C1 ZINC001027697669 634456187 /nfs/dbraw/zinc/45/61/87/634456187.db2.gz WMBBRBXVHDROTP-QGZVFWFLSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001024463913 625793769 /nfs/dbraw/zinc/79/37/69/625793769.db2.gz LCCJNHJSNGHRLD-MRXNPFEDSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001024481236 625810297 /nfs/dbraw/zinc/81/02/97/625810297.db2.gz VRVVRHOTDOOZBQ-OAHLLOKOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001027699593 634454455 /nfs/dbraw/zinc/45/44/55/634454455.db2.gz GGBJHQQOGNZQDG-IRXDYDNUSA-N 0 3 318.392 2.069 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001024552209 625870834 /nfs/dbraw/zinc/87/08/34/625870834.db2.gz DKQOZZDWBHQCLX-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN COc1ccc2c(c1)CC[C@@H](C(=O)C(C#N)C(=O)NC(C)C)C2 ZINC000892500966 625912396 /nfs/dbraw/zinc/91/23/96/625912396.db2.gz ILYGCCZPSAEUNJ-ZBFHGGJFSA-N 0 3 314.385 2.034 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001024618597 625937179 /nfs/dbraw/zinc/93/71/79/625937179.db2.gz WMGMOFQYTDHKBA-INIZCTEOSA-N 0 3 301.434 2.424 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001024622727 625938535 /nfs/dbraw/zinc/93/85/35/625938535.db2.gz YCFRATWTMWPDET-AEFFLSMTSA-N 0 3 314.404 2.459 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC000999128268 634483559 /nfs/dbraw/zinc/48/35/59/634483559.db2.gz MLPHYCQUEWMCJX-OAHLLOKOSA-N 0 3 317.820 2.229 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3sccc3CC)[C@@H]2C1 ZINC000979084309 634495733 /nfs/dbraw/zinc/49/57/33/634495733.db2.gz DPAVNXVXVRWGCR-QKDCVEJESA-N 0 3 302.443 2.241 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000999386506 634581034 /nfs/dbraw/zinc/58/10/34/634581034.db2.gz ZJILOWFZMSAHSE-UHFFFAOYSA-N 0 3 318.755 2.292 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c[nH]c(=O)cc2C)C1 ZINC000999384511 634580566 /nfs/dbraw/zinc/58/05/66/634580566.db2.gz JVNSZIOSVYWUKB-UHFFFAOYSA-N 0 3 309.797 2.041 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(C)nn(CC)c2C)C1 ZINC000999560250 634628695 /nfs/dbraw/zinc/62/86/95/634628695.db2.gz FDLKKVLVRARJFG-UHFFFAOYSA-N 0 3 324.856 2.465 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000999902639 634700618 /nfs/dbraw/zinc/70/06/18/634700618.db2.gz HNKOTCICYZGTMV-TYNCELHUSA-N 0 3 303.431 2.356 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cocn3)C[C@@H]2C1 ZINC000979591550 634706718 /nfs/dbraw/zinc/70/67/18/634706718.db2.gz YMRCMJLUIDVNRV-XQQFMLRXSA-N 0 3 309.797 2.257 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)C2CCOCC2)C1 ZINC000999931065 634710616 /nfs/dbraw/zinc/71/06/16/634710616.db2.gz PHLFHCDWAMLHRQ-LRVUVFPRSA-N 0 3 314.857 2.381 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cnccc3C)CC2)CC1 ZINC001000109147 634748889 /nfs/dbraw/zinc/74/88/89/634748889.db2.gz RYRAOSVPSXQLJB-UHFFFAOYSA-N 0 3 311.429 2.388 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3OCC[C@H]3CC)CC2)CC1 ZINC001000180949 634779964 /nfs/dbraw/zinc/77/99/64/634779964.db2.gz RGMJZNPHZLFHBA-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cncc(CC)c3)CC2)CC1 ZINC001000211677 634794333 /nfs/dbraw/zinc/79/43/33/634794333.db2.gz SWQQCCJLSFYUAS-UHFFFAOYSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3nc(Cl)cs3)CC2)CC1 ZINC001000247438 634823983 /nfs/dbraw/zinc/82/39/83/634823983.db2.gz HRICCBYONJVWMG-UHFFFAOYSA-N 0 3 323.849 2.404 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cccc(OC(C)C)n2)C1 ZINC001015917938 633125486 /nfs/dbraw/zinc/12/54/86/633125486.db2.gz NBSIAGODSFAWDF-CQSZACIVSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccncc2C)C(C)(C)C1 ZINC000974603691 633170083 /nfs/dbraw/zinc/17/00/83/633170083.db2.gz NRWKWQNCYWBZQH-INIZCTEOSA-N 0 3 301.434 2.335 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnn2C2CCC2)C(C)(C)C1 ZINC000974599821 633174729 /nfs/dbraw/zinc/17/47/29/633174729.db2.gz FFRJCDZRDRJSHW-INIZCTEOSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974600099 633175685 /nfs/dbraw/zinc/17/56/85/633175685.db2.gz GJZDFSCKYQOMCE-GJZGRUSLSA-N 0 3 316.449 2.232 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn3ccnc3c2)C(C)(C)C1 ZINC000974815231 633314006 /nfs/dbraw/zinc/31/40/06/633314006.db2.gz DNYYHVAIBSMLQI-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ncc3ccccn32)C(C)(C)C1 ZINC000974829209 633316826 /nfs/dbraw/zinc/31/68/26/633316826.db2.gz PAAZGNWNQBWDHD-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2ncc(Cl)n2C)C1 ZINC001026992152 633333230 /nfs/dbraw/zinc/33/32/30/633333230.db2.gz HUIUOUXSCFYHOI-LBPRGKRZSA-N 0 3 324.856 2.224 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(CC)c2C)C(C)(C)C1 ZINC000974961789 633383154 /nfs/dbraw/zinc/38/31/54/633383154.db2.gz YNXRRSBLVAXFBG-INIZCTEOSA-N 0 3 301.434 2.280 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)CCO3)C(C)(C)C1 ZINC000975109444 633423068 /nfs/dbraw/zinc/42/30/68/633423068.db2.gz URGLPMCJQGWISL-KRWDZBQOSA-N 0 3 312.413 2.085 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N[C@H](C)c2cnccn2)CC1 ZINC000996875065 633483513 /nfs/dbraw/zinc/48/35/13/633483513.db2.gz FLUHIDNGYGIQNF-CYBMUJFWSA-N 0 3 302.422 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC000996875346 633484252 /nfs/dbraw/zinc/48/42/52/633484252.db2.gz JBDYYJIGAODASM-UHFFFAOYSA-N 0 3 302.422 2.078 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996956363 633538719 /nfs/dbraw/zinc/53/87/19/633538719.db2.gz MOEYBFSTZZSULY-YVEFUNNKSA-N 0 3 319.453 2.357 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnc(C)s2)CC1 ZINC000996965916 633541911 /nfs/dbraw/zinc/54/19/11/633541911.db2.gz APVUSRBSYTUWQV-GFCCVEGCSA-N 0 3 305.447 2.305 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027319549 633647358 /nfs/dbraw/zinc/64/73/58/633647358.db2.gz KLMGWDVUBPXUSR-YOEHRIQHSA-N 0 3 315.417 2.016 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027321451 633649533 /nfs/dbraw/zinc/64/95/33/633649533.db2.gz RUYAJUATFUVVQS-WMLDXEAASA-N 0 3 315.417 2.016 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001027335233 633660291 /nfs/dbraw/zinc/66/02/91/633660291.db2.gz DPBYXUFINRUIRI-CJNGLKHVSA-N 0 3 303.381 2.408 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnc3ccccn23)CC1 ZINC000997187662 633670993 /nfs/dbraw/zinc/67/09/93/633670993.db2.gz CLLDVNGSFCMMCZ-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccn(C)c2CC)CC1 ZINC000997302817 633696081 /nfs/dbraw/zinc/69/60/81/633696081.db2.gz DDRMVTNGUJXNHF-OAHLLOKOSA-N 0 3 315.461 2.441 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2coc(C3CC3)n2)CC1 ZINC000997338015 633708110 /nfs/dbraw/zinc/70/81/10/633708110.db2.gz UXIRYBCDPOWKAV-GFCCVEGCSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sc(C3CC3)nc2C)C1 ZINC001027408013 633745839 /nfs/dbraw/zinc/74/58/39/633745839.db2.gz FXJCNMLILVGKOG-CQSZACIVSA-N 0 3 317.458 2.499 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001027436344 633782894 /nfs/dbraw/zinc/78/28/94/633782894.db2.gz WDKCMJGRSYRFJS-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 ZINC001027442332 633796160 /nfs/dbraw/zinc/79/61/60/633796160.db2.gz DLEMAKQJDJBJSY-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C=CCOCCNCc1ccc(C(F)(F)F)nc1N(C)C ZINC000893474559 633825780 /nfs/dbraw/zinc/82/57/80/633825780.db2.gz DGJCKLJFTBUNKK-UHFFFAOYSA-N 0 3 303.328 2.459 20 30 DEEDHN C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)C1=CCN(C)CC1 ZINC000888364064 633840598 /nfs/dbraw/zinc/84/05/98/633840598.db2.gz YIWUPJSONKVUON-LLVKDONJSA-N 0 3 302.353 2.469 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001027489189 633875077 /nfs/dbraw/zinc/87/50/77/633875077.db2.gz OXSWNJNSUYRYKD-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2scnc2C(F)F)C1 ZINC001027487495 633875296 /nfs/dbraw/zinc/87/52/96/633875296.db2.gz VQGRKXYJYWPNLK-JTQLQIEISA-N 0 3 313.373 2.250 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)C(C)(C)C1 ZINC000977334497 633924003 /nfs/dbraw/zinc/92/40/03/633924003.db2.gz LIPYITCETJFGEC-SWLSCSKDSA-N 0 3 317.433 2.245 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc3ccc(C)cn32)CC1 ZINC000997672122 633925559 /nfs/dbraw/zinc/92/55/59/633925559.db2.gz FAHCMUGVBUFZBX-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nc(C)n3ccccc23)CC1 ZINC000997674656 633926496 /nfs/dbraw/zinc/92/64/96/633926496.db2.gz VIVQYSUAKDPYGA-AWEZNQCLSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCCF)CC1(C)C ZINC000977331908 633931690 /nfs/dbraw/zinc/93/16/90/633931690.db2.gz YYRFAKYSDOHVKE-ZNMIVQPWSA-N 0 3 312.429 2.154 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)c[nH]c2=O)C(C)(C)C1 ZINC000977389625 633959237 /nfs/dbraw/zinc/95/92/37/633959237.db2.gz OYPSGWFBWAGFKW-HNNXBMFYSA-N 0 3 317.433 2.366 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C(C)C)no2)CC1 ZINC000997780040 633970876 /nfs/dbraw/zinc/97/08/76/633970876.db2.gz ZHWVSPAOFSAMFT-ZDUSSCGKSA-N 0 3 303.406 2.262 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(COC)c2)C(C)(C)C1 ZINC000977444037 633987981 /nfs/dbraw/zinc/98/79/81/633987981.db2.gz MIQDKBHHTDPRRE-QGZVFWFLSA-N 0 3 316.445 2.388 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(CC)on2)CC1 ZINC000997834734 634003762 /nfs/dbraw/zinc/00/37/62/634003762.db2.gz LUDCKBSOFMWQQJ-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2oc(CCC)nc2C)CC1 ZINC000997832387 634003969 /nfs/dbraw/zinc/00/39/69/634003969.db2.gz JDBCADGGYWFYNG-ZDUSSCGKSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cn2ccc3ccccc32)C(C)(C)C1 ZINC000977624491 634076319 /nfs/dbraw/zinc/07/63/19/634076319.db2.gz RDHXCQKRHJQABE-GOSISDBHSA-N 0 3 323.440 2.491 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2COc3ccccc32)C(C)(C)C1 ZINC000977658282 634085125 /nfs/dbraw/zinc/08/51/25/634085125.db2.gz NFRCCCPWBLVRTN-RDJZCZTQSA-N 0 3 312.413 2.013 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000997975602 634090682 /nfs/dbraw/zinc/09/06/82/634090682.db2.gz JPOJHYUIRGEHOF-QGZVFWFLSA-N 0 3 312.417 2.226 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2nccc(C)n2)CC1 ZINC000997991643 634099821 /nfs/dbraw/zinc/09/98/21/634099821.db2.gz JOYFLMDIFOURNR-MRXNPFEDSA-N 0 3 314.433 2.125 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C)nn2)CC1 ZINC000998011139 634110541 /nfs/dbraw/zinc/11/05/41/634110541.db2.gz GKEDBCKJKWAIBL-INIZCTEOSA-N 0 3 314.433 2.125 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000998076496 634133121 /nfs/dbraw/zinc/13/31/21/634133121.db2.gz QCVUHBUBAWFIKJ-ZACQAIPSSA-N 0 3 306.450 2.138 20 30 DEEDHN CCCSCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000125576312 634151458 /nfs/dbraw/zinc/15/14/58/634151458.db2.gz FUNCBGDEMFTJBC-NSHDSACASA-N 0 3 306.387 2.486 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCCN(CC#CC)CC2)cn1 ZINC000998177308 634161625 /nfs/dbraw/zinc/16/16/25/634161625.db2.gz SFXKOQZCFGWUJD-IBGZPJMESA-N 0 3 323.440 2.403 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(F)c(COC)c2)C1 ZINC001027570019 634166370 /nfs/dbraw/zinc/16/63/70/634166370.db2.gz UCLQOEQBJVZXTL-INIZCTEOSA-N 0 3 318.392 2.142 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccsn2)CC[C@@H]1C(F)(F)F ZINC000998264052 634194102 /nfs/dbraw/zinc/19/41/02/634194102.db2.gz AOHNYOMRBLJDQU-ONGXEEELSA-N 0 3 319.352 2.312 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1C(F)(F)F ZINC000998313083 634208835 /nfs/dbraw/zinc/20/88/35/634208835.db2.gz MBXGQOZYZQDDDV-STQMWFEESA-N 0 3 316.323 2.377 20 30 DEEDHN CC1(C)C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000978091514 634210475 /nfs/dbraw/zinc/21/04/75/634210475.db2.gz GUBRKSXMDQRFLT-FJIDUMEYSA-N 0 3 323.440 2.398 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(F)c(OC)c2)C1 ZINC001027590570 634223434 /nfs/dbraw/zinc/22/34/34/634223434.db2.gz BHSDBYJRHCUSFX-AWEZNQCLSA-N 0 3 304.365 2.004 20 30 DEEDHN CC(C)C(=O)N(C)C1CC(NCc2ccc(C#N)cc2F)C1 ZINC000998472657 634286411 /nfs/dbraw/zinc/28/64/11/634286411.db2.gz YHLRSNOEYYKSDH-UHFFFAOYSA-N 0 3 303.381 2.432 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)sc3C)[C@@H]2C1 ZINC000978424575 634313124 /nfs/dbraw/zinc/31/31/24/634313124.db2.gz MKXBZHSNZFOTAC-PHZGNYQRSA-N 0 3 302.443 2.296 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3ccncc32)C1 ZINC001027636324 634357672 /nfs/dbraw/zinc/35/76/72/634357672.db2.gz AGHLKNHMHJFGNB-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(Cl)cc3C)[C@@H]2C1 ZINC000978564370 634360326 /nfs/dbraw/zinc/36/03/26/634360326.db2.gz 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/nfs/dbraw/zinc/95/86/37/634958637.db2.gz WFPJODMDVLBNPS-HZPDHXFCSA-N 0 3 302.418 2.481 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2cc(C)ccc2C)C1 ZINC000980383897 634981325 /nfs/dbraw/zinc/98/13/25/634981325.db2.gz WSDCIKNEGYAQNR-MRXNPFEDSA-N 0 3 302.418 2.401 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001027926290 634984118 /nfs/dbraw/zinc/98/41/18/634984118.db2.gz PGAFXYIRGCJBBW-OAHLLOKOSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001027932431 635000986 /nfs/dbraw/zinc/00/09/86/635000986.db2.gz YWYMHIZIVDTHHB-CQSZACIVSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccnc(-n2cccc2)c1 ZINC001027953931 635059354 /nfs/dbraw/zinc/05/93/54/635059354.db2.gz XRDOGFWVIRQJLR-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001027959921 635085508 /nfs/dbraw/zinc/08/55/08/635085508.db2.gz BTQUBTDHEJFEHR-ZDUSSCGKSA-N 0 3 306.356 2.491 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCO[C@H](CC)C3)CC2)CC1 ZINC001000305445 635136175 /nfs/dbraw/zinc/13/61/75/635136175.db2.gz JETAFTAHKYHXTA-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001027977925 635146732 /nfs/dbraw/zinc/14/67/32/635146732.db2.gz CKQOIPJFCZWTBK-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001027979047 635147557 /nfs/dbraw/zinc/14/75/57/635147557.db2.gz TXKPLFAFSDTVGT-AWEZNQCLSA-N 0 3 302.422 2.118 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000947719166 635148832 /nfs/dbraw/zinc/14/88/32/635148832.db2.gz IZOZKSFAYUCWLS-FUHWJXTLSA-N 0 3 323.440 2.279 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001027981588 635157990 /nfs/dbraw/zinc/15/79/90/635157990.db2.gz DDXRVYXKPFFTFC-CQSZACIVSA-N 0 3 318.421 2.052 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001027994977 635192584 /nfs/dbraw/zinc/19/25/84/635192584.db2.gz CVRNXKLIVCVBLU-LBPRGKRZSA-N 0 3 322.840 2.235 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000980941270 635248066 /nfs/dbraw/zinc/24/80/66/635248066.db2.gz RYFGGQVHZXNCOM-SJORKVTESA-N 0 3 323.400 2.112 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC001000684253 635276350 /nfs/dbraw/zinc/27/63/50/635276350.db2.gz AACVTKQOASPRSR-UHFFFAOYSA-N 0 3 302.422 2.156 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nccc3[nH]ccc32)C[C@H]1C ZINC000947726238 635292854 /nfs/dbraw/zinc/29/28/54/635292854.db2.gz LFEPPDXJWLBQHG-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn3c(n2)CC[C@H](C)C3)CC1 ZINC001000839739 635318777 /nfs/dbraw/zinc/31/87/77/635318777.db2.gz AFTLNFFIGKQGDA-AWEZNQCLSA-N 0 3 314.433 2.013 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001028046287 635364764 /nfs/dbraw/zinc/36/47/64/635364764.db2.gz CAHGLSZZQAYYKV-ZDUSSCGKSA-N 0 3 300.362 2.050 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(C)cn3ccnc23)CC1 ZINC001000998705 635375069 /nfs/dbraw/zinc/37/50/69/635375069.db2.gz MIRIORNCNLCUSJ-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@H](NCc3ccn(C)n3)C2)C1 ZINC000981318636 635436585 /nfs/dbraw/zinc/43/65/85/635436585.db2.gz HOJFDYVLTXKATO-GJZGRUSLSA-N 0 3 316.449 2.293 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(C(C)C)nn2C)CC1 ZINC001001326807 635464576 /nfs/dbraw/zinc/46/45/76/635464576.db2.gz CKBHVIOMYPFBHC-UHFFFAOYSA-N 0 3 302.422 2.091 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 ZINC001001335704 635466739 /nfs/dbraw/zinc/46/67/39/635466739.db2.gz SFLLZLHPFUUKKF-UHFFFAOYSA-N 0 3 323.400 2.020 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc3cccn3cn2)CC1 ZINC000981427460 635475619 /nfs/dbraw/zinc/47/56/19/635475619.db2.gz HDCRLSOKYDGMCY-UHFFFAOYSA-N 0 3 312.417 2.448 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]nc2-c2ccco2)CC1 ZINC001001460535 635500054 /nfs/dbraw/zinc/50/00/54/635500054.db2.gz APSLHXOVDXGYBD-UHFFFAOYSA-N 0 3 312.373 2.218 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccccc2-c2cn[nH]c2)CC1 ZINC001001463325 635500677 /nfs/dbraw/zinc/50/06/77/635500677.db2.gz OQWSCCPLKKOACB-UHFFFAOYSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccnn2C(CC)CC)CC1 ZINC001001479405 635516581 /nfs/dbraw/zinc/51/65/81/635516581.db2.gz MYWVCZURJGXRCZ-UHFFFAOYSA-N 0 3 316.449 2.319 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC001001561199 635527234 /nfs/dbraw/zinc/52/72/34/635527234.db2.gz XLZQJZACIZNPJP-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C)n(CC)c2C)CC1 ZINC001001600819 635534225 /nfs/dbraw/zinc/53/42/25/635534225.db2.gz QWNKHVBFSUVQDS-UHFFFAOYSA-N 0 3 301.434 2.200 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001028104157 635539811 /nfs/dbraw/zinc/53/98/11/635539811.db2.gz GNRKHFFURDGBJA-MRXNPFEDSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001028106488 635553733 /nfs/dbraw/zinc/55/37/33/635553733.db2.gz ALDVFNMUXKYGHS-LLVKDONJSA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC001001902882 635573744 /nfs/dbraw/zinc/57/37/44/635573744.db2.gz CLEXFLSXQRGCMJ-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2nc(CC)oc2C)CC1 ZINC001001933903 635583315 /nfs/dbraw/zinc/58/33/15/635583315.db2.gz JDXREAMDUXEZFJ-UHFFFAOYSA-N 0 3 303.406 2.011 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)Cc1ccccc1OC ZINC000107409158 635600169 /nfs/dbraw/zinc/60/01/69/635600169.db2.gz GCBYPEBZWMKOSC-UKRRQHHQSA-N 0 3 314.385 2.275 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cn(CCCC)nc2C)CC1 ZINC001002028607 635606699 /nfs/dbraw/zinc/60/66/99/635606699.db2.gz CODVMLHBSJASSP-UHFFFAOYSA-N 0 3 316.449 2.067 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000981828742 635673806 /nfs/dbraw/zinc/67/38/06/635673806.db2.gz ZLIBEQKFJSTJMD-QGZVFWFLSA-N 0 3 300.377 2.023 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 ZINC000981869025 635701872 /nfs/dbraw/zinc/70/18/72/635701872.db2.gz PUIBEXFERVKBBR-UHFFFAOYSA-N 0 3 316.449 2.431 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccn4ccnc4c3)C2)C1 ZINC000981886938 635716326 /nfs/dbraw/zinc/71/63/26/635716326.db2.gz JGPXIZZICYQQGJ-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(CCC)n[nH]3)C2)C1 ZINC000981927166 635736038 /nfs/dbraw/zinc/73/60/38/635736038.db2.gz JWQMHEMGEGEWJW-UHFFFAOYSA-N 0 3 302.422 2.086 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001028187903 635793433 /nfs/dbraw/zinc/79/34/33/635793433.db2.gz PYBUTHDEBAFJRV-KGLIPLIRSA-N 0 3 303.406 2.406 20 30 DEEDHN C=CCN1CCC(NC(=O)c2csc([C@H](C)OC)n2)CC1 ZINC001002825261 635811421 /nfs/dbraw/zinc/81/14/21/635811421.db2.gz XKDKFIICVLJLPT-NSHDSACASA-N 0 3 309.435 2.231 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)C[C@@H]3CCCO3)C2)C1 ZINC000982166768 635893803 /nfs/dbraw/zinc/89/38/03/635893803.db2.gz NICOPDYWBADCAZ-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn(CCC)nc1C ZINC001028225109 635921553 /nfs/dbraw/zinc/92/15/53/635921553.db2.gz SUINLVAFPVPWJF-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCN1CC(=C)C ZINC001028249499 635958161 /nfs/dbraw/zinc/95/81/61/635958161.db2.gz BTOJFTOWZJWWJQ-HNNXBMFYSA-N 0 3 315.417 2.417 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001028253241 635962798 /nfs/dbraw/zinc/96/27/98/635962798.db2.gz SAVFLNJFUDWTNP-LLVKDONJSA-N 0 3 312.364 2.128 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001028265428 635982684 /nfs/dbraw/zinc/98/26/84/635982684.db2.gz DWWXRWTVNQJGJN-YJBOKZPZSA-N 0 3 314.429 2.455 20 30 DEEDHN N#Cc1ccc(Br)c(CNCC[C@H](O)C(F)F)c1 ZINC000922304913 636071802 /nfs/dbraw/zinc/07/18/02/636071802.db2.gz NJAXSJAUDWRRHL-NSHDSACASA-N 0 3 319.149 2.426 20 30 DEEDHN N#Cc1ccc(Br)c(CNCC[C@@H](O)C(F)F)c1 ZINC000922304912 636071864 /nfs/dbraw/zinc/07/18/64/636071864.db2.gz NJAXSJAUDWRRHL-LLVKDONJSA-N 0 3 319.149 2.426 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2c(s1)CCC2 ZINC001028301402 636120595 /nfs/dbraw/zinc/12/05/95/636120595.db2.gz DNCBXXDWTDWDSS-CQSZACIVSA-N 0 3 302.443 2.454 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OCC)c(OC)c1 ZINC001028309025 636123711 /nfs/dbraw/zinc/12/37/11/636123711.db2.gz OWPRHEAUTMPMNS-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001028337162 636137462 /nfs/dbraw/zinc/13/74/62/636137462.db2.gz QDOAMFZJLLCKQV-HNNXBMFYSA-N 0 3 317.408 2.109 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001028466866 636227255 /nfs/dbraw/zinc/22/72/55/636227255.db2.gz UTJRFYBFNZQZJR-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@]3(C)CN(CC=C)C[C@@]3(C)C2)c1 ZINC000982534349 636242941 /nfs/dbraw/zinc/24/29/41/636242941.db2.gz LIFMAFGRCIGDAD-KDURUIRLSA-N 0 3 309.413 2.033 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC3(F)F)C2)cc1 ZINC001028532697 636323953 /nfs/dbraw/zinc/32/39/53/636323953.db2.gz UBDHEWYIYBAMMN-CABCVRRESA-N 0 3 319.355 2.152 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cccc(OC)c3)C[C@]2(C)C1 ZINC000982763513 636388638 /nfs/dbraw/zinc/38/86/38/636388638.db2.gz 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CC(=O)N1CCCCC[C@@H]1C1CCN(CCO[C@H](C)C#N)CC1 ZINC000801919938 645461552 /nfs/dbraw/zinc/46/15/52/645461552.db2.gz KNHAXGSXKIJHFN-CRAIPNDOSA-N 0 3 321.465 2.418 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc4cc[nH]c4c3)CCC[C@@H]12 ZINC000991298915 645619906 /nfs/dbraw/zinc/61/99/06/645619906.db2.gz KMJFKDITTSQVRK-AEFFLSMTSA-N 0 3 310.401 2.476 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807621561 645971886 /nfs/dbraw/zinc/97/18/86/645971886.db2.gz FUZVIWGUFXZFFF-PKOBYXMFSA-N 0 3 323.440 2.318 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cn1 ZINC000807704168 645978724 /nfs/dbraw/zinc/97/87/24/645978724.db2.gz UHNVAXVIYJHTNA-KRWDZBQOSA-N 0 3 311.360 2.235 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)nc1 ZINC000807738592 645981752 /nfs/dbraw/zinc/98/17/52/645981752.db2.gz GCHHUSWRNOBPSX-YJBOKZPZSA-N 0 3 319.408 2.456 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000807786984 645990344 /nfs/dbraw/zinc/99/03/44/645990344.db2.gz 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/nfs/dbraw/zinc/87/97/97/646879797.db2.gz WYIRDDFDCPNYMM-SJLPKXTDSA-N 0 3 318.367 2.254 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCc4cccnc43)CCC[C@@H]12 ZINC000992164174 646880086 /nfs/dbraw/zinc/88/00/86/646880086.db2.gz XNZUEDMIBZAKTO-FRQCXROJSA-N 0 3 311.429 2.411 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3cnccc32)C[C@@H]1C ZINC000948053468 646886721 /nfs/dbraw/zinc/88/67/21/646886721.db2.gz QVVGNMTZPOABRV-HOCLYGCPSA-N 0 3 307.397 2.451 20 30 DEEDHN CCC(=O)N[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000946938197 646915124 /nfs/dbraw/zinc/91/51/24/646915124.db2.gz YIHFLWORDNOFHH-ZBFHGGJFSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C3Cc4ccccc4C3)CCC[C@H]12 ZINC000992295023 646933248 /nfs/dbraw/zinc/93/32/48/646933248.db2.gz SCBOUKNRKAHGTI-AZUAARDMSA-N 0 3 308.425 2.148 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccc4[nH]cnc43)CCC[C@H]12 ZINC000992346892 646953543 /nfs/dbraw/zinc/95/35/43/646953543.db2.gz KIEMFOHOFWHKBI-QFBILLFUSA-N 0 3 322.412 2.313 20 30 DEEDHN CC[NH+](CC)Cc1cc(C(C)N=Nc2cnnn2C)ccc1[O-] ZINC000814981276 646954883 /nfs/dbraw/zinc/95/48/83/646954883.db2.gz AAEWXVUYYJOOBL-UHFFFAOYSA-N 0 3 316.409 2.199 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(CC)c3C)CCC[C@H]12 ZINC000992360085 646957500 /nfs/dbraw/zinc/95/75/00/646957500.db2.gz DZXZRYXEWOKGHQ-RDJZCZTQSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cn(C(C)C)nn3)CCC[C@H]12 ZINC000992363041 646958052 /nfs/dbraw/zinc/95/80/52/646958052.db2.gz JSOIKBWROWWVRY-RDJZCZTQSA-N 0 3 317.437 2.162 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000815082145 646964833 /nfs/dbraw/zinc/96/48/33/646964833.db2.gz BFSNLNIYEGRJLQ-UHFFFAOYSA-N 0 3 322.474 2.218 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn4c3CCCC4)CCC[C@@H]12 ZINC000992392730 646968412 /nfs/dbraw/zinc/96/84/12/646968412.db2.gz CKEWKIMUOHEIMQ-AEFFLSMTSA-N 0 3 314.433 2.132 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3cc(C)ccc3F)CCC[C@H]12 ZINC000992423019 646990579 /nfs/dbraw/zinc/99/05/79/646990579.db2.gz 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649466795 /nfs/dbraw/zinc/46/67/95/649466795.db2.gz DCBDKSNOMAAAOA-HOCLYGCPSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@@H](C)C1 ZINC000943989274 649468745 /nfs/dbraw/zinc/46/87/45/649468745.db2.gz UUOLOFAEZKECCQ-YOEHRIQHSA-N 0 3 309.413 2.252 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@H](C)C1 ZINC000944014777 649471759 /nfs/dbraw/zinc/47/17/59/649471759.db2.gz FZIZPSXZAALDQE-CZUORRHYSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2coc(CCC)n2)[C@@H](C)C1 ZINC000944136913 649488158 /nfs/dbraw/zinc/48/81/58/649488158.db2.gz XKFLMDFNBBTGGF-KBPBESRZSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc(COC)nc2C)[C@H](C)C1 ZINC000944492936 649528012 /nfs/dbraw/zinc/52/80/12/649528012.db2.gz RYNVGAUNJFGGJN-DGCLKSJQSA-N 0 3 323.462 2.224 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000944533211 649531101 /nfs/dbraw/zinc/53/11/01/649531101.db2.gz OBYPKDXVMRZECN-CZUORRHYSA-N 0 3 304.821 2.342 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2F)[C@@H](C)C1 ZINC000944551257 649532125 /nfs/dbraw/zinc/53/21/25/649532125.db2.gz CRTVWRKGGCAFSE-YOEHRIQHSA-N 0 3 302.393 2.218 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)CN(CC)CC)c1 ZINC000072893466 649534443 /nfs/dbraw/zinc/53/44/43/649534443.db2.gz ZSXSAPZITAAFFP-OAHLLOKOSA-N 0 3 303.406 2.326 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@H](C)C1 ZINC000944700581 649552682 /nfs/dbraw/zinc/55/26/82/649552682.db2.gz KFMZCABLARMDPN-CZUORRHYSA-N 0 3 304.821 2.342 20 30 DEEDHN C=C(C)CONC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000844286223 651104339 /nfs/dbraw/zinc/10/43/39/651104339.db2.gz UVEHABBGJKCQNV-UHFFFAOYSA-N 0 3 313.467 2.155 20 30 DEEDHN CN(C[C@H](O)c1cccc(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371277 651119426 /nfs/dbraw/zinc/11/94/26/651119426.db2.gz XOZHZDMPUZPCMM-ROUUACIJSA-N 0 3 314.360 2.396 20 30 DEEDHN CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)nc1 ZINC000844823827 651173431 /nfs/dbraw/zinc/17/34/31/651173431.db2.gz UIYJJLSKCKGHIH-INIZCTEOSA-N 0 3 304.369 2.129 20 30 DEEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000845594692 651258214 /nfs/dbraw/zinc/25/82/14/651258214.db2.gz RJWRZFIMDKDVAI-UHFFFAOYSA-N 0 3 309.385 2.407 20 30 DEEDHN C=C(C)CONC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000845609616 651260326 /nfs/dbraw/zinc/26/03/26/651260326.db2.gz XIGNLXQHYZSVMN-HOCLYGCPSA-N 0 3 303.406 2.456 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000845625478 651262266 /nfs/dbraw/zinc/26/22/66/651262266.db2.gz MDGLWFKVSTZLLJ-YCPHGPKFSA-N 0 3 303.406 2.312 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCC[C@@]1(O)CCCOC1 ZINC000846109917 651308441 /nfs/dbraw/zinc/30/84/41/651308441.db2.gz KQYXHOZVIMUDGW-KRWDZBQOSA-N 0 3 323.820 2.373 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846471800 651332313 /nfs/dbraw/zinc/33/23/13/651332313.db2.gz AXJKJOLWQKMION-UHFFFAOYSA-N 0 3 306.793 2.007 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCCC#N)cc1 ZINC000847625050 651406080 /nfs/dbraw/zinc/40/60/80/651406080.db2.gz AXNJSYXUHUSUTL-HNNXBMFYSA-N 0 3 313.357 2.104 20 30 DEEDHN COC(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000848395220 651456106 /nfs/dbraw/zinc/45/61/06/651456106.db2.gz DRNBEOPPCGGRHJ-CYBMUJFWSA-N 0 3 304.350 2.215 20 30 DEEDHN CCn1c(CNC(=O)[C@H](N)CCCCC#N)nc2ccccc21 ZINC000848397933 651456252 /nfs/dbraw/zinc/45/62/52/651456252.db2.gz PINLDATVUCQKPY-CYBMUJFWSA-N 0 3 313.405 2.084 20 30 DEEDHN C=CCCCCCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849608086 651690022 /nfs/dbraw/zinc/69/00/22/651690022.db2.gz MJKRWWXYARGCMT-SJORKVTESA-N 0 3 318.465 2.318 20 30 DEEDHN C#CCOc1ccc(C(=O)N(CC)[C@H]2CCN(CC)C2)cc1 ZINC000855492287 651710319 /nfs/dbraw/zinc/71/03/19/651710319.db2.gz XSMNRFMBKBCNSO-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCCONC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000856031349 651826381 /nfs/dbraw/zinc/82/63/81/651826381.db2.gz MBBGOHMFBCCCRP-UHFFFAOYSA-N 0 3 317.433 2.213 20 30 DEEDHN C#CCOc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1 ZINC000850347948 651905651 /nfs/dbraw/zinc/90/56/51/651905651.db2.gz BHWCDBAVAYOKSV-NRFANRHFSA-N 0 3 319.348 2.099 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1OC ZINC000850758888 651982614 /nfs/dbraw/zinc/98/26/14/651982614.db2.gz KGLJFUFPYPFOMJ-NSHDSACASA-N 0 3 308.309 2.101 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](OC)C2CCC2)cc1 ZINC000850761041 651982679 /nfs/dbraw/zinc/98/26/79/651982679.db2.gz GCDXHHGLRKEOBU-HOCLYGCPSA-N 0 3 316.357 2.158 20 30 DEEDHN COC[C@@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000850769478 651985481 /nfs/dbraw/zinc/98/54/81/651985481.db2.gz QBQLFYFQFRUFEN-JOYOIKCWSA-N 0 3 323.299 2.269 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)CC1 ZINC000857923748 652206129 /nfs/dbraw/zinc/20/61/29/652206129.db2.gz LWZXLPPXQSNBGA-CQSZACIVSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCOc1c(Cl)cc(CNCC[S@](C)=O)cc1OC ZINC000858139254 652263295 /nfs/dbraw/zinc/26/32/95/652263295.db2.gz IAOSUWSIQLAUBT-FQEVSTJZSA-N 0 3 317.838 2.382 20 30 DEEDHN CO[C@H](CN1CCN(c2ccc(C#N)nc2)CC1)C1CCCC1 ZINC000851998603 652307488 /nfs/dbraw/zinc/30/74/88/652307488.db2.gz AJSDWKQYIPAITI-GOSISDBHSA-N 0 3 314.433 2.280 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCCOc1ccc(Cl)cc1 ZINC000852098558 652338136 /nfs/dbraw/zinc/33/81/36/652338136.db2.gz QDCHUYKIDLFJRP-INIZCTEOSA-N 0 3 308.809 2.227 20 30 DEEDHN C#C[C@](C)(CC)NCc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000852101114 652338791 /nfs/dbraw/zinc/33/87/91/652338791.db2.gz MJGUWWGKOSOMDY-QGZVFWFLSA-N 0 3 303.358 2.151 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCC)c1 ZINC000852100753 652338885 /nfs/dbraw/zinc/33/88/85/652338885.db2.gz JZSKIPYUPSGTFS-GOSISDBHSA-N 0 3 302.418 2.483 20 30 DEEDHN C#CC1CCN([C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000852205819 652363334 /nfs/dbraw/zinc/36/33/34/652363334.db2.gz VFNOUTMFOBOEKT-SFHVURJKSA-N 0 3 312.413 2.141 20 30 DEEDHN CCCCCC[C@@](O)(CN1CCC[C@@H](CC#N)C1)C(=O)OC ZINC000852320213 652384872 /nfs/dbraw/zinc/38/48/72/652384872.db2.gz HEACANYUYKZUKO-DOTOQJQBSA-N 0 3 310.438 2.487 20 30 DEEDHN C#CCCN(CCOC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000852753143 652450198 /nfs/dbraw/zinc/45/01/98/652450198.db2.gz YZIYKWDPSVGOAZ-OAHLLOKOSA-N 0 3 311.809 2.051 20 30 DEEDHN COC(=O)NC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000852768267 652453220 /nfs/dbraw/zinc/45/32/20/652453220.db2.gz PADGZUHPENITRM-UHFFFAOYSA-N 0 3 317.389 2.148 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(CC)nn1C)C(C)C ZINC001374438016 1157855405 /nfs/dbraw/zinc/85/54/05/1157855405.db2.gz JFJBLMUERFCRMJ-CYBMUJFWSA-N 0 3 312.845 2.079 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1(C)COC1 ZINC001356265318 1152068348 /nfs/dbraw/zinc/06/83/48/1152068348.db2.gz IAHABJZQUDDMAH-GFCCVEGCSA-N 0 3 316.357 2.159 20 30 DEEDHN N#C[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000928227084 693744040 /nfs/dbraw/zinc/74/40/40/693744040.db2.gz XVFOYTWASDUJLZ-RDJZCZTQSA-N 0 3 312.417 2.056 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccn(C2CCCC2)n1 ZINC000122119556 684112207 /nfs/dbraw/zinc/11/22/07/684112207.db2.gz GMQIKPUSNKHOMW-CYBMUJFWSA-N 0 3 323.356 2.354 20 30 DEEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)CC ZINC000124548970 684136152 /nfs/dbraw/zinc/13/61/52/684136152.db2.gz IRXJYOBQRVDTLN-CYBMUJFWSA-N 0 3 312.207 2.322 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccnc(Cl)c1 ZINC000126339195 684153547 /nfs/dbraw/zinc/15/35/47/684153547.db2.gz ZWPVUMABSOBGMH-JTQLQIEISA-N 0 3 300.705 2.091 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C ZINC000133518691 684220282 /nfs/dbraw/zinc/22/02/82/684220282.db2.gz NXUXUWUOWKDTMK-JSGCOSHPSA-N 0 3 302.374 2.341 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(F)cc1)C2 ZINC001054072915 693831340 /nfs/dbraw/zinc/83/13/40/693831340.db2.gz GIPFZLWOCYDDBN-GOSISDBHSA-N 0 3 300.377 2.387 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)COCC2CCCCC2)CC1 ZINC000928710565 693832044 /nfs/dbraw/zinc/83/20/44/693832044.db2.gz PLIURXFNDWXNCX-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1coc(CC)n1)C2 ZINC001054121132 693852346 /nfs/dbraw/zinc/85/23/46/693852346.db2.gz XKRFRIKBFVXNJY-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccns1)C2 ZINC001054141838 693860503 /nfs/dbraw/zinc/86/05/03/693860503.db2.gz PWCSSKAKLTWDHT-INIZCTEOSA-N 0 3 303.431 2.095 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1cncs1)C2 ZINC001054150388 693862873 /nfs/dbraw/zinc/86/28/73/693862873.db2.gz ZERLYKJHYOMHDY-QGZVFWFLSA-N 0 3 317.458 2.023 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC1(F)F)C2 ZINC001054151658 693864152 /nfs/dbraw/zinc/86/41/52/693864152.db2.gz OTLVTVDOPVAYOA-ZBFHGGJFSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cncc(CC)c1)C2 ZINC001054164537 693867420 /nfs/dbraw/zinc/86/74/20/693867420.db2.gz LUBLBVPHZVCIQK-LJQANCHMSA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccn(C)c1CC)C2 ZINC001054197430 693877882 /nfs/dbraw/zinc/87/78/82/693877882.db2.gz BQMZCHLVNURIRY-IBGZPJMESA-N 0 3 313.445 2.149 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001054202731 693880393 /nfs/dbraw/zinc/88/03/93/693880393.db2.gz KMTMDBBTCZGION-MDZRGWNJSA-N 0 3 312.413 2.331 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C(F)(F)F)CC1)C2 ZINC001054202749 693880621 /nfs/dbraw/zinc/88/06/21/693880621.db2.gz KZHDCJJKVLZRJP-CQSZACIVSA-N 0 3 314.351 2.277 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCCOC1)C2 ZINC001054220429 693887682 /nfs/dbraw/zinc/88/76/82/693887682.db2.gz DLGUHGSUZCZSMI-PKOBYXMFSA-N 0 3 318.461 2.141 20 30 DEEDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1C#N ZINC000859189053 685675724 /nfs/dbraw/zinc/67/57/24/685675724.db2.gz LAPMISPSPMQGTP-MRXNPFEDSA-N 0 3 312.369 2.136 20 30 DEEDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1C#N ZINC000859189053 685675730 /nfs/dbraw/zinc/67/57/30/685675730.db2.gz LAPMISPSPMQGTP-MRXNPFEDSA-N 0 3 312.369 2.136 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054384269 693956501 /nfs/dbraw/zinc/95/65/01/693956501.db2.gz VUUSEIOWZNYAEY-NHYWBVRUSA-N 0 3 315.398 2.463 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCN(CC(C)(C)O)CC1 ZINC000929492310 693967751 /nfs/dbraw/zinc/96/77/51/693967751.db2.gz FZWFPPKHOVGPQI-UHFFFAOYSA-N 0 3 301.434 2.064 20 30 DEEDHN N#Cc1cccc(OC2CCN(CCO[C@H]3CCOC3)CC2)c1 ZINC000929524088 693973380 /nfs/dbraw/zinc/97/33/80/693973380.db2.gz OJGJISONMNHTOH-SFHVURJKSA-N 0 3 316.401 2.207 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860463004 685930062 /nfs/dbraw/zinc/93/00/62/685930062.db2.gz JYCVYHNIMLFIEK-MCIONIFRSA-N 0 3 318.373 2.023 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cn(C3CC3)nn2)cc1 ZINC000860468321 685930533 /nfs/dbraw/zinc/93/05/33/685930533.db2.gz BHIISGHVISETNZ-CQSZACIVSA-N 0 3 323.356 2.137 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000860472273 685930775 /nfs/dbraw/zinc/93/07/75/685930775.db2.gz GRHNLDDDROBODE-APIJFGDWSA-N 0 3 316.788 2.459 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)COCC(F)F)c1ccccc1 ZINC000860695278 685952108 /nfs/dbraw/zinc/95/21/08/685952108.db2.gz RSYACCWIMZEGKK-STQMWFEESA-N 0 3 324.327 2.244 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1CC(OC)C1)c1ccccc1 ZINC000860693390 685952314 /nfs/dbraw/zinc/95/23/14/685952314.db2.gz GKWDFCUNPBJBJW-QDIHITRGSA-N 0 3 314.385 2.388 20 30 DEEDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc(C)c(C#N)c2)C1 ZINC000861351350 686056334 /nfs/dbraw/zinc/05/63/34/686056334.db2.gz IIYJQDNKAJOTOY-NVXWUHKLSA-N 0 3 302.374 2.133 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C\c1cccc(OCC)c1 ZINC000861837609 686191356 /nfs/dbraw/zinc/19/13/56/686191356.db2.gz GDPICKYVPJFLTA-KHPPLWFESA-N 0 3 300.402 2.170 20 30 DEEDHN CCOC(=O)C1=CC[C@@H](NCc2ccc(C#N)c(OC)c2)C1 ZINC000862488062 686308889 /nfs/dbraw/zinc/30/88/89/686308889.db2.gz AWBXXXYBIGAZIH-OAHLLOKOSA-N 0 3 300.358 2.308 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccn2)C2CCC2)CC1 ZINC000862746314 686367080 /nfs/dbraw/zinc/36/70/80/686367080.db2.gz RAOXQVPZLUSTAS-SFHVURJKSA-N 0 3 311.429 2.384 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2ccnn2C)C1 ZINC001054679437 694022697 /nfs/dbraw/zinc/02/26/97/694022697.db2.gz JTBGGOHJJJUYGB-SMDDNHRTSA-N 0 3 324.856 2.135 20 30 DEEDHN Cc1cc(Cl)nc(CNC[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000863554582 686521275 /nfs/dbraw/zinc/52/12/75/686521275.db2.gz COZSMQOTHNAEGG-AWEZNQCLSA-N 0 3 323.824 2.204 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@@H](NCCF)C2)cc1 ZINC001054813574 694050902 /nfs/dbraw/zinc/05/09/02/694050902.db2.gz XKDUJCKRBUOQEP-CJNGLKHVSA-N 0 3 306.381 2.271 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)C=C)c2)CC1 ZINC000865193155 686963666 /nfs/dbraw/zinc/96/36/66/686963666.db2.gz GUHYVQDMPWSDCD-UHFFFAOYSA-N 0 3 313.401 2.191 20 30 DEEDHN Cc1ccc(CNC2CCN(c3ccccc3C#N)CC2)nn1 ZINC000865694387 687304446 /nfs/dbraw/zinc/30/44/46/687304446.db2.gz CWGJRSZWNNUQEG-UHFFFAOYSA-N 0 3 307.401 2.415 20 30 DEEDHN CN(C)Cc1cnc(CN[C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865846950 687353975 /nfs/dbraw/zinc/35/39/75/687353975.db2.gz BRBUKJMWSYAEIE-HNNXBMFYSA-N 0 3 312.442 2.333 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001015867762 687446071 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ZINC001033192646 689418961 /nfs/dbraw/zinc/41/89/61/689418961.db2.gz UDILABLTWPPWLH-AWEZNQCLSA-N 0 3 307.463 2.411 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001033198602 689421940 /nfs/dbraw/zinc/42/19/40/689421940.db2.gz XMGHQFVOJLIVKY-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001033221152 689429010 /nfs/dbraw/zinc/42/90/10/689429010.db2.gz JUTANFJFEYRLLG-OAHLLOKOSA-N 0 3 304.438 2.361 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033244344 689436522 /nfs/dbraw/zinc/43/65/22/689436522.db2.gz QGHVRJFLBXRTPL-OAHLLOKOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2OC)C1 ZINC001033245059 689437065 /nfs/dbraw/zinc/43/70/65/689437065.db2.gz VOJLRZLYUNOJQW-OAHLLOKOSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001033290628 689450237 /nfs/dbraw/zinc/45/02/37/689450237.db2.gz VRFXZBGJLDJNSB-HNNXBMFYSA-N 0 3 320.383 2.372 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C3CC3)CCOCC2)C1 ZINC001033298300 689453216 /nfs/dbraw/zinc/45/32/16/689453216.db2.gz DUGSNZLSVJVTAY-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033316093 689459986 /nfs/dbraw/zinc/45/99/86/689459986.db2.gz UCBKMYHENGVWSB-QGZVFWFLSA-N 0 3 309.413 2.496 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033357418 689475082 /nfs/dbraw/zinc/47/50/82/689475082.db2.gz FQWOWNFZANCUTF-CYBMUJFWSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2C)C1 ZINC001033386884 689484368 /nfs/dbraw/zinc/48/43/68/689484368.db2.gz XDNXCBVDVWWLJD-OAHLLOKOSA-N 0 3 300.402 2.173 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2ccccc2n1CC#N ZINC000874841286 689513853 /nfs/dbraw/zinc/51/38/53/689513853.db2.gz UTLMGLZDLGYILF-IAGOWNOFSA-N 0 3 322.412 2.474 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874846939 689517353 /nfs/dbraw/zinc/51/73/53/689517353.db2.gz LUYRTWKXENIZFN-JQFCIGGWSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033491552 689520754 /nfs/dbraw/zinc/52/07/54/689520754.db2.gz JCQOAGDXNGVDHQ-HYVNUMGLSA-N 0 3 314.404 2.485 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033496863 689521010 /nfs/dbraw/zinc/52/10/10/689521010.db2.gz HWXNQGLKVJOOIE-IKGGRYGDSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc(C(C)C)n2)C1 ZINC001033512963 689526689 /nfs/dbraw/zinc/52/66/89/689526689.db2.gz JCEKHFVSKXMGSL-ZDUSSCGKSA-N 0 3 305.447 2.436 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001033556338 689541944 /nfs/dbraw/zinc/54/19/44/689541944.db2.gz ZJMNSICULPPXMG-AWEZNQCLSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001033637748 689568707 /nfs/dbraw/zinc/56/87/07/689568707.db2.gz QGOVDSYWQZLSCH-CQSZACIVSA-N 0 3 313.426 2.466 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(NC(C)=O)c2)C1 ZINC001033651799 689572074 /nfs/dbraw/zinc/57/20/74/689572074.db2.gz DDXXFTOXMOLVJD-KRWDZBQOSA-N 0 3 315.417 2.367 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001033715372 689592198 /nfs/dbraw/zinc/59/21/98/689592198.db2.gz NECIXXMPASFLPY-GFCCVEGCSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC(C)(C)CC[C@H]2O)CC1 ZINC000875247555 689595667 /nfs/dbraw/zinc/59/56/67/689595667.db2.gz MSYXTBHEPGQXRW-HZPDHXFCSA-N 0 3 323.481 2.266 20 30 DEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cc(OCC)no2)C1 ZINC001033900812 689656152 /nfs/dbraw/zinc/65/61/52/689656152.db2.gz UNXRJMCFQCDTAD-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc3ccccc3nn2)C1 ZINC001033911423 689658691 /nfs/dbraw/zinc/65/86/91/689658691.db2.gz AJNNILMTYIHBOF-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033965817 689675850 /nfs/dbraw/zinc/67/58/50/689675850.db2.gz WBSOZIOJPBUQTR-ZDUSSCGKSA-N 0 3 305.809 2.295 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccn3ccnc23)C1 ZINC001033990791 689685715 /nfs/dbraw/zinc/68/57/15/689685715.db2.gz XQIPSFFLHLFNEZ-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c3ccccc3nn2C)C1 ZINC001034006678 689690088 /nfs/dbraw/zinc/69/00/88/689690088.db2.gz BITPPNFDMHBLTO-HNNXBMFYSA-N 0 3 324.428 2.133 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034219062 689767572 /nfs/dbraw/zinc/76/75/72/689767572.db2.gz KALOAKSLXQXNNW-CQSZACIVSA-N 0 3 316.449 2.315 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001034228285 689771797 /nfs/dbraw/zinc/77/17/97/689771797.db2.gz APAGJNPYZHRUDL-ZDUSSCGKSA-N 0 3 324.375 2.194 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001034229608 689773089 /nfs/dbraw/zinc/77/30/89/689773089.db2.gz KUCKGQXCIKLFNX-AWEZNQCLSA-N 0 3 316.449 2.069 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001034238709 689776478 /nfs/dbraw/zinc/77/64/78/689776478.db2.gz LQVFZFRZKFTYBX-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC001034240328 689778150 /nfs/dbraw/zinc/77/81/50/689778150.db2.gz GRNSPUARTUZICL-CQSZACIVSA-N 0 3 303.406 2.406 20 30 DEEDHN CC#CCN1CCCC[C@@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC001034284473 689794502 /nfs/dbraw/zinc/79/45/02/689794502.db2.gz KRWHMWVQRMAGMP-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001034297354 689799644 /nfs/dbraw/zinc/79/96/44/689799644.db2.gz GUHYXXDRDOSPFM-MRXNPFEDSA-N 0 3 304.438 2.047 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001034338166 689814654 /nfs/dbraw/zinc/81/46/54/689814654.db2.gz BFUHRYKYVIDMPO-SJLPKXTDSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000876503430 689841220 /nfs/dbraw/zinc/84/12/20/689841220.db2.gz JMYOTOBDMXPBGI-ZETCQYMHSA-N 0 3 309.675 2.214 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000876557014 689855464 /nfs/dbraw/zinc/85/54/64/689855464.db2.gz DUHKSUCQQOZSDO-ZDUSSCGKSA-N 0 3 323.824 2.116 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccc2c(c1)OCO2 ZINC000876561883 689857725 /nfs/dbraw/zinc/85/77/25/689857725.db2.gz MMMIGSHIZKPQSS-GFCCVEGCSA-N 0 3 310.781 2.234 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1nc2ccccc2s1 ZINC000876563252 689858373 /nfs/dbraw/zinc/85/83/73/689858373.db2.gz BDJRAPXIOWWLOG-SNVBAGLBSA-N 0 3 309.822 2.425 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001034474538 689864015 /nfs/dbraw/zinc/86/40/15/689864015.db2.gz LOZFRXPQKQDCMQ-OAHLLOKOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000876601116 689872323 /nfs/dbraw/zinc/87/23/23/689872323.db2.gz LNEYMNGZOZGJIT-VHSXEESVSA-N 0 3 314.735 2.026 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000876600725 689872498 /nfs/dbraw/zinc/87/24/98/689872498.db2.gz TZZIEAKLRHKSRQ-CYBMUJFWSA-N 0 3 323.780 2.047 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC000876615789 689877628 /nfs/dbraw/zinc/87/76/28/689877628.db2.gz LBNNILCOYJQXSK-LBPRGKRZSA-N 0 3 316.760 2.259 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000876627813 689881285 /nfs/dbraw/zinc/88/12/85/689881285.db2.gz DEOVWRWTNPVNNT-RRFJBIMHSA-N 0 3 308.809 2.493 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000876646073 689887512 /nfs/dbraw/zinc/88/75/12/689887512.db2.gz RSMBFVLNGXEVHK-QWRGUYRKSA-N 0 3 312.801 2.230 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001034563944 689898592 /nfs/dbraw/zinc/89/85/92/689898592.db2.gz KXWDLJQKUHJRCW-SJORKVTESA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000876682851 689900764 /nfs/dbraw/zinc/90/07/64/689900764.db2.gz PBAQFDCRYFTVBQ-ONGXEEELSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cccc2cccnc21 ZINC000876716668 689914086 /nfs/dbraw/zinc/91/40/86/689914086.db2.gz JPTAKXBFLRNRIW-CQSZACIVSA-N 0 3 303.793 2.363 20 30 DEEDHN C#CC1(O)CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000931142655 694326448 /nfs/dbraw/zinc/32/64/48/694326448.db2.gz SRRFCNRWDQRLNT-UHFFFAOYSA-N 0 3 311.385 2.129 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CCOC(C)=O)c1 ZINC000876887914 689964944 /nfs/dbraw/zinc/96/49/44/689964944.db2.gz JPFWZGRAFDOJCU-AWEZNQCLSA-N 0 3 310.781 2.201 20 30 DEEDHN Cc1nn(C(C)C)cc1CNC[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001034887086 689978796 /nfs/dbraw/zinc/97/87/96/689978796.db2.gz REEOIVVCVORIAX-XJKSGUPXSA-N 0 3 317.437 2.013 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000876970935 689986139 /nfs/dbraw/zinc/98/61/39/689986139.db2.gz HETPCIIATISVEX-IHRRRGAJSA-N 0 3 300.830 2.264 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1nsc2ccccc12 ZINC000876974747 689987381 /nfs/dbraw/zinc/98/73/81/689987381.db2.gz RLGBFDJFFUUYJC-LLVKDONJSA-N 0 3 309.822 2.425 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCCOC[C@@H]2CCOC2)c1 ZINC000877058580 690009595 /nfs/dbraw/zinc/00/95/95/690009595.db2.gz CJRLBFKKWHDQFV-LBPRGKRZSA-N 0 3 309.797 2.139 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCc2ccc(CO)cc2)c1 ZINC000877137117 690027067 /nfs/dbraw/zinc/02/70/67/690027067.db2.gz CYGZGYKTWXKVJF-UHFFFAOYSA-N 0 3 301.777 2.431 20 30 DEEDHN C=C(Cl)CN1CCC2(C1)CCN(C(=O)c1cc(C)[nH]n1)CC2 ZINC001035166359 690045836 /nfs/dbraw/zinc/04/58/36/690045836.db2.gz YBKQKDAZCMUEPU-UHFFFAOYSA-N 0 3 322.840 2.399 20 30 DEEDHN N#Cc1cccc([C@H](NC(=O)[C@@H](N)CC(F)F)C(F)(F)F)c1 ZINC000877291396 690067764 /nfs/dbraw/zinc/06/77/64/690067764.db2.gz HISLGBJWOITIJV-ONGXEEELSA-N 0 3 321.249 2.260 20 30 DEEDHN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)[nH]n1 ZINC000877297044 690069252 /nfs/dbraw/zinc/06/92/52/690069252.db2.gz GLGJHLGVLTYPAZ-KGLIPLIRSA-N 0 3 317.437 2.260 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCC(F)(F)c1ccc(F)cc1F ZINC000877307047 690072086 /nfs/dbraw/zinc/07/20/86/690072086.db2.gz LASGDASUTSUUEQ-GFCCVEGCSA-N 0 3 317.286 2.194 20 30 DEEDHN COc1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)ccc1C#N ZINC000877339720 690079689 /nfs/dbraw/zinc/07/96/89/690079689.db2.gz GJPDIUHJFZCRQK-QGZVFWFLSA-N 0 3 321.380 2.011 20 30 DEEDHN C=C(Cl)CN1CC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001035733230 690163405 /nfs/dbraw/zinc/16/34/05/690163405.db2.gz PLHPHOQNBOZLAD-CQSZACIVSA-N 0 3 313.873 2.004 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCOC[C@H]1C)CC2 ZINC001035789471 690176550 /nfs/dbraw/zinc/17/65/50/690176550.db2.gz OZVJSRXVGHUMRF-CVEARBPZSA-N 0 3 306.450 2.160 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1c[nH]cc1C1CC1)CC2 ZINC001035826514 690186603 /nfs/dbraw/zinc/18/66/03/690186603.db2.gz HDNWTLKTCDODOX-UHFFFAOYSA-N 0 3 311.429 2.453 20 30 DEEDHN Cc1nc(CN[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2C)cs1 ZINC001036036589 690241726 /nfs/dbraw/zinc/24/17/26/690241726.db2.gz KLQXDNWPRYKEOG-BLLLJJGKSA-N 0 3 317.458 2.192 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000877916623 690260064 /nfs/dbraw/zinc/26/00/64/690260064.db2.gz HEJRGVFBQZAWNW-RBUKOAKNSA-N 0 3 310.397 2.475 20 30 DEEDHN CCN1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878036090 690290387 /nfs/dbraw/zinc/29/03/87/690290387.db2.gz FTHAWOXLUADFNA-LJQANCHMSA-N 0 3 313.445 2.455 20 30 DEEDHN C[C@H](NCc1nccs1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001036413137 690344666 /nfs/dbraw/zinc/34/46/66/690344666.db2.gz RANQUUUXTSJQBN-DZGCQCFKSA-N 0 3 317.458 2.273 20 30 DEEDHN C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNCc1cncs1 ZINC001036550658 690383157 /nfs/dbraw/zinc/38/31/57/690383157.db2.gz ZCFMTAHBABOWMU-XJKSGUPXSA-N 0 3 317.458 2.273 20 30 DEEDHN N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C\Cl)C2)[nH]1 ZINC001036691431 690435795 /nfs/dbraw/zinc/43/57/95/690435795.db2.gz OYGNDHAZLBHHEV-DOTQGGLTSA-N 0 3 318.808 2.175 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H](O)CC1)c1ccccc1 ZINC000878658212 690468970 /nfs/dbraw/zinc/46/89/70/690468970.db2.gz VERVFCWFAFKVCN-QZTJIDSGSA-N 0 3 300.402 2.274 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878803171 690503391 /nfs/dbraw/zinc/50/33/91/690503391.db2.gz XRTAFWBCEMFQNK-XSLAGTTESA-N 0 3 300.402 2.481 20 30 DEEDHN CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cc(F)ccc1C#N ZINC001036910237 690524717 /nfs/dbraw/zinc/52/47/17/690524717.db2.gz QLOJVWXCSXVJAS-CZUORRHYSA-N 0 3 303.381 2.482 20 30 DEEDHN N#Cc1ccc(C2CCN(C[C@@H](O)c3cccnc3)CC2)nc1 ZINC000879022911 690551709 /nfs/dbraw/zinc/55/17/09/690551709.db2.gz BSWKURNXZHKOFV-GOSISDBHSA-N 0 3 308.385 2.261 20 30 DEEDHN C[C@H](C#N)OCCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000879113898 690570734 /nfs/dbraw/zinc/57/07/34/690570734.db2.gz DEVGINVVZUUMJW-QMTHXVAHSA-N 0 3 300.761 2.421 20 30 DEEDHN CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nocc1C ZINC001037846510 690621847 /nfs/dbraw/zinc/62/18/47/690621847.db2.gz KFXNUKGOERQVAX-CVEARBPZSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cnns2)[C@H](CC)C1 ZINC001037889305 690634065 /nfs/dbraw/zinc/63/40/65/690634065.db2.gz ASEYQTATXKWENE-OCCSQVGLSA-N 0 3 322.478 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038340197 690787387 /nfs/dbraw/zinc/78/73/87/690787387.db2.gz CYXKUALJICULRP-AWEZNQCLSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CC[C@@H]1CCCO1 ZINC001038343617 690788411 /nfs/dbraw/zinc/78/84/11/690788411.db2.gz BIJQDDJGUQUUQN-HOTGVXAUSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001038504271 690842590 /nfs/dbraw/zinc/84/25/90/690842590.db2.gz MGMYQUWYBXQEKB-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038551026 690855957 /nfs/dbraw/zinc/85/59/57/690855957.db2.gz UDOAQQYBHVDTIR-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN CO[C@H]1COCC[C@@H]1N(C)Cc1cc(Cl)ccc1OCC#N ZINC000880424724 690895368 /nfs/dbraw/zinc/89/53/68/690895368.db2.gz BISUVSJFZFFCJJ-HOCLYGCPSA-N 0 3 324.808 2.478 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038737328 690909987 /nfs/dbraw/zinc/90/99/87/690909987.db2.gz YRORJZMPNFNIAI-MRXNPFEDSA-N 0 3 300.402 2.392 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038774665 690922179 /nfs/dbraw/zinc/92/21/79/690922179.db2.gz 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C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nc1C ZINC001039445449 691107320 /nfs/dbraw/zinc/10/73/20/691107320.db2.gz SLWGEPBFZNUNPL-CVEARBPZSA-N 0 3 316.449 2.466 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC3CCOCC3)C2)C1 ZINC001040126138 691201865 /nfs/dbraw/zinc/20/18/65/691201865.db2.gz MRGGJZAIAJMSPR-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ncoc3CC)C2)C1 ZINC001040129477 691202063 /nfs/dbraw/zinc/20/20/63/691202063.db2.gz GNCIOIHIGKXCCF-KRWDZBQOSA-N 0 3 303.406 2.351 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cncc(F)c3)C2)C1 ZINC001040147548 691204041 /nfs/dbraw/zinc/20/40/41/691204041.db2.gz YPTFMAMJIJHTGA-KRWDZBQOSA-N 0 3 303.381 2.335 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3c(C)[nH]nc3Cl)C2)C1 ZINC001040233074 691217308 /nfs/dbraw/zinc/21/73/08/691217308.db2.gz WGGVJZTWOSUGKZ-INIZCTEOSA-N 0 3 322.840 2.486 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3c[nH]nc3CC)C2)C1 ZINC001040276635 691224112 /nfs/dbraw/zinc/22/41/12/691224112.db2.gz OIRIXTZAQGPCKF-QGZVFWFLSA-N 0 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C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CC)OC3CCCC3)C2)C1 ZINC001041721238 691417215 /nfs/dbraw/zinc/41/72/15/691417215.db2.gz MKLLWNNGVADZFP-IEBWSBKVSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cccc3)C2)C1 ZINC001041794323 691432228 /nfs/dbraw/zinc/43/22/28/691432228.db2.gz SWTJIRHQYZAYOF-IEBWSBKVSA-N 0 3 313.445 2.387 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC001041796134 691433112 /nfs/dbraw/zinc/43/31/12/691433112.db2.gz GVJSRXAPRPWADA-GOSISDBHSA-N 0 3 300.377 2.305 20 30 DEEDHN C#CC[C@@H](CO)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000883124614 691434775 /nfs/dbraw/zinc/43/47/75/691434775.db2.gz LOXXQOQVLWVFTC-AWEZNQCLSA-N 0 3 323.318 2.365 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)C1 ZINC001041813034 691436845 /nfs/dbraw/zinc/43/68/45/691436845.db2.gz SDPUUMMFEWHTBD-LJQANCHMSA-N 0 3 314.404 2.316 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3n[nH]c4ccccc43)C2)C1 ZINC001041813569 691437457 /nfs/dbraw/zinc/43/74/57/691437457.db2.gz 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C#CCCN1CC[C@H]2CCN(C(=O)c3conc3C(C)C)C[C@H]21 ZINC001042091816 691505184 /nfs/dbraw/zinc/50/51/84/691505184.db2.gz YJZUZFGIKQAYAL-GOEBONIOSA-N 0 3 315.417 2.358 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CC3CC(F)(F)C3)C[C@@H]21 ZINC001042120442 691513567 /nfs/dbraw/zinc/51/35/67/691513567.db2.gz URQPZFDVOAHGJN-GJZGRUSLSA-N 0 3 310.388 2.368 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)C[C@@H]21 ZINC001042121684 691514158 /nfs/dbraw/zinc/51/41/58/691514158.db2.gz JFMNFYLDVKEGLF-KDOFPFPSSA-N 0 3 324.428 2.296 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccn(CC)c3C)C[C@@H]21 ZINC001042195829 691532785 /nfs/dbraw/zinc/53/27/85/691532785.db2.gz CFEBOBQJFYHOAI-AEFFLSMTSA-N 0 3 313.445 2.376 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(C)nc(C)n3)C[C@H]21 ZINC001042264731 691552567 /nfs/dbraw/zinc/55/25/67/691552567.db2.gz AYBFSCGGNKIAFY-DOTOQJQBSA-N 0 3 314.433 2.206 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)Cc3c(C)noc3Cl)C[C@@H]21 ZINC001042267442 691553864 /nfs/dbraw/zinc/55/38/64/691553864.db2.gz 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C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001047391174 692420042 /nfs/dbraw/zinc/42/00/42/692420042.db2.gz LRCDWBFELYVFNW-ULQDDVLXSA-N 0 3 306.450 2.203 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cc(Cl)c2)C1 ZINC001047457951 692426297 /nfs/dbraw/zinc/42/62/97/692426297.db2.gz AZZUZFXKINFQEP-HOTGVXAUSA-N 0 3 322.836 2.342 20 30 DEEDHN C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001047604108 692441764 /nfs/dbraw/zinc/44/17/64/692441764.db2.gz CPAHNLLSKCSJER-IRXDYDNUSA-N 0 3 320.408 2.217 20 30 DEEDHN C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001047630646 692446128 /nfs/dbraw/zinc/44/61/28/692446128.db2.gz WLNBBJANVYURLV-IRXDYDNUSA-N 0 3 319.449 2.152 20 30 DEEDHN C[C@H](NCc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001047665596 692454293 /nfs/dbraw/zinc/45/42/93/692454293.db2.gz ZJUPGYLHYAFFIF-SWLSCSKDSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001047928046 692515987 /nfs/dbraw/zinc/51/59/87/692515987.db2.gz LIASCHQTUOQJLD-GXTWGEPZSA-N 0 3 319.453 2.042 20 30 DEEDHN Cc1ccc(C#N)cc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000932035225 694533761 /nfs/dbraw/zinc/53/37/61/694533761.db2.gz VVUGRMNWLCTPCY-MRXNPFEDSA-N 0 3 315.417 2.050 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNCc2cc(C)no2)C1 ZINC001048341475 692601984 /nfs/dbraw/zinc/60/19/84/692601984.db2.gz CJIPWWJBIOXABF-OCCSQVGLSA-N 0 3 305.422 2.379 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3scc(C)c3Cl)C[C@@H]2C1 ZINC001048838302 692707864 /nfs/dbraw/zinc/70/78/64/692707864.db2.gz GQIIUTIQYFIOIL-TXEJJXNPSA-N 0 3 308.834 2.347 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001048854425 692710129 /nfs/dbraw/zinc/71/01/29/692710129.db2.gz IKRGQOODSSBIPO-SOUVJXGZSA-N 0 3 310.388 2.225 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H]3CN(CC#CC)C[C@H]3C2)cc1 ZINC001048899979 692719703 /nfs/dbraw/zinc/71/97/03/692719703.db2.gz UKPQKUXHTSPZLE-HDICACEKSA-N 0 3 324.424 2.279 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CN(Cc3cnoc3C)C[C@H]2C1 ZINC001048982492 692735262 /nfs/dbraw/zinc/73/52/62/692735262.db2.gz RXZRVPMAVBBWAW-GASCZTMLSA-N 0 3 303.406 2.085 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001049024960 692745849 /nfs/dbraw/zinc/74/58/49/692745849.db2.gz ALYJFCNFAPTAKE-KDURUIRLSA-N 0 3 310.441 2.259 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3cccs3)C[C@@H]2C1 ZINC001049052828 692752754 /nfs/dbraw/zinc/75/27/54/692752754.db2.gz GUKCETQUIKBRCM-SOUVJXGZSA-N 0 3 302.443 2.265 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001049185704 692783689 /nfs/dbraw/zinc/78/36/89/692783689.db2.gz VGFRUMDEINTGNA-BETUJISGSA-N 0 3 322.330 2.342 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc4cnccc43)C[C@@H]2C1 ZINC001049216979 692792562 /nfs/dbraw/zinc/79/25/62/692792562.db2.gz JDQQDNOKEMIITI-CALCHBBNSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001049232534 692795733 /nfs/dbraw/zinc/79/57/33/692795733.db2.gz ABYDGDRDSWBMSJ-CALCHBBNSA-N 0 3 310.441 2.378 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc4c3CCC4)C[C@@H]2C1 ZINC001049243971 692798620 /nfs/dbraw/zinc/79/86/20/692798620.db2.gz KQERWLJTXHOALB-CALCHBBNSA-N 0 3 308.425 2.202 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@]3(C)CCc4ccccc43)C[C@@H]2C1 ZINC001049244116 692799405 /nfs/dbraw/zinc/79/94/05/692799405.db2.gz OHNGVJSCYOADAV-UEXGIBASSA-N 0 3 322.452 2.304 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccsc1 ZINC001049312871 692832233 /nfs/dbraw/zinc/83/22/33/692832233.db2.gz PYOIYNLZAYATCX-CVEARBPZSA-N 0 3 302.443 2.379 20 30 DEEDHN COc1cc(C(=O)NCCN2CCC(C)(C)C2)ccc1C#N ZINC000890068413 692851107 /nfs/dbraw/zinc/85/11/07/692851107.db2.gz QXAIDPULNCEQFY-UHFFFAOYSA-N 0 3 301.390 2.029 20 30 DEEDHN C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc(C)s1 ZINC001049366593 692856699 /nfs/dbraw/zinc/85/66/99/692856699.db2.gz MNYXYUCSWCLNMT-KBPBESRZSA-N 0 3 303.431 2.154 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2cn[nH]c21 ZINC001049472705 692893531 /nfs/dbraw/zinc/89/35/31/692893531.db2.gz GHVYATYIMOHLOG-ARFHVFGLSA-N 0 3 314.433 2.081 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)nc2Cl)CC1 ZINC000932144054 694559532 /nfs/dbraw/zinc/55/95/32/694559532.db2.gz LWHFQQZMIYVHOM-UHFFFAOYSA-N 0 3 309.797 2.124 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1ccsc1 ZINC001049523364 692911526 /nfs/dbraw/zinc/91/15/26/692911526.db2.gz WLKUDVBJDDDZQH-HZPDHXFCSA-N 0 3 302.443 2.379 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(COC)c1 ZINC001049527336 692912227 /nfs/dbraw/zinc/91/22/27/692912227.db2.gz OZURAVBXXPATPX-IAGOWNOFSA-N 0 3 315.417 2.093 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc2ccccn12 ZINC001049559938 692921908 /nfs/dbraw/zinc/92/19/08/692921908.db2.gz AVUXRSGMXIPYJQ-LSDHHAIUSA-N 0 3 310.401 2.199 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(N(C)C)nc1 ZINC001049569181 692924421 /nfs/dbraw/zinc/92/44/21/692924421.db2.gz YDTIRDURTBSQSL-HZPDHXFCSA-N 0 3 314.433 2.013 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnn(C)c1CCC ZINC001049572962 692926376 /nfs/dbraw/zinc/92/63/76/692926376.db2.gz FMDUYTUKNAESEC-SJORKVTESA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001049590690 692933982 /nfs/dbraw/zinc/93/39/82/692933982.db2.gz BXJTUXXGAFEZQC-MLHJIOFPSA-N 0 3 318.461 2.300 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001049591600 692934541 /nfs/dbraw/zinc/93/45/41/692934541.db2.gz HVZNIKSRXTXEFX-GVDBMIGSSA-N 0 3 318.461 2.280 20 30 DEEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1conc1C1CC1 ZINC001049715687 692973649 /nfs/dbraw/zinc/97/36/49/692973649.db2.gz WJOMVRGPOWKWRC-CVEARBPZSA-N 0 3 313.401 2.254 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1noc2c1CCCC2 ZINC001049754985 692987438 /nfs/dbraw/zinc/98/74/38/692987438.db2.gz OMNZDTVMDIIRDQ-LSDHHAIUSA-N 0 3 315.417 2.418 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCCCO1 ZINC001049755308 692987789 /nfs/dbraw/zinc/98/77/89/692987789.db2.gz QHEJVGWGSFKBSU-GVDBMIGSSA-N 0 3 304.434 2.034 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccsc1C ZINC001049760705 692990111 /nfs/dbraw/zinc/99/01/11/692990111.db2.gz BINKHEZYLUQWPW-HZPDHXFCSA-N 0 3 302.443 2.298 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccnc(C2CC2)n1 ZINC001049768971 692993747 /nfs/dbraw/zinc/99/37/47/692993747.db2.gz MQUYNXQRXJPAED-HOTGVXAUSA-N 0 3 312.417 2.219 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)nc1OC ZINC001049769063 692993951 /nfs/dbraw/zinc/99/39/51/692993951.db2.gz GTWAQFQNLULCIE-CVEARBPZSA-N 0 3 315.417 2.264 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2nc[nH]c21 ZINC001049806876 693007034 /nfs/dbraw/zinc/00/70/34/693007034.db2.gz KRQGLTVWRJXRDM-IRXDYDNUSA-N 0 3 322.412 2.265 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1scnc1C ZINC001049822916 693012523 /nfs/dbraw/zinc/01/25/23/693012523.db2.gz OZGWUYOTDMOGRB-HUUCEWRRSA-N 0 3 317.458 2.083 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2nccnc2c1 ZINC001049885721 693037407 /nfs/dbraw/zinc/03/74/07/693037407.db2.gz PDNDGCGRQCEWDH-ZWKOTPCHSA-N 0 3 322.412 2.495 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1cscn1 ZINC001049927570 693049528 /nfs/dbraw/zinc/04/95/28/693049528.db2.gz WUMKAMVGFZAMPP-HZPDHXFCSA-N 0 3 317.458 2.164 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001049997265 693074298 /nfs/dbraw/zinc/07/42/98/693074298.db2.gz NYDPKAUKVBDLNK-AEGPPILISA-N 0 3 303.431 2.331 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ncn4ccc(C)cc34)[C@@H]2C1 ZINC001050080490 693103292 /nfs/dbraw/zinc/10/32/92/693103292.db2.gz FZMOMJRNIHWEGL-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H](C)c3cnn(C)c3)[C@@H]2C1 ZINC001050099657 693108390 /nfs/dbraw/zinc/10/83/90/693108390.db2.gz IVFDGUUVSOHNDM-HLLBOEOZSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(CCC)n[nH]3)[C@@H]2C1 ZINC001050108050 693109627 /nfs/dbraw/zinc/10/96/27/693109627.db2.gz MNZYCGUHQRCUAG-WMLDXEAASA-N 0 3 316.449 2.475 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1 ZINC001050108173 693110096 /nfs/dbraw/zinc/11/00/96/693110096.db2.gz SSTJNPPPSLHXCP-KBXCAEBGSA-N 0 3 322.412 2.123 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001050115298 693112144 /nfs/dbraw/zinc/11/21/44/693112144.db2.gz TZTJUFCKGRSOHI-RWMBFGLXSA-N 0 3 302.340 2.131 20 30 DEEDHN C#CCCN1C[C@@H]2CCCN(C(=O)c3ocnc3C(F)F)[C@@H]2C1 ZINC001050139330 693119031 /nfs/dbraw/zinc/11/90/31/693119031.db2.gz XLUGGTUNQOYOQR-NWDGAFQWSA-N 0 3 323.343 2.172 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cccc4c3OCC4)[C@@H]2C1 ZINC001050147388 693120899 /nfs/dbraw/zinc/12/08/99/693120899.db2.gz HCHFGQDCUTWAGQ-DOTOQJQBSA-N 0 3 312.413 2.344 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(CC)on3)[C@@H]2C1 ZINC001050184056 693131706 /nfs/dbraw/zinc/13/17/06/693131706.db2.gz ZNRJEBIYYRRHPR-XJKSGUPXSA-N 0 3 303.406 2.350 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]3CN(CC(=C)C)C[C@H]32)nc1 ZINC001050185339 693132655 /nfs/dbraw/zinc/13/26/55/693132655.db2.gz YRDKEAWGMONMFN-FUHWJXTLSA-N 0 3 309.413 2.175 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)COc3ccc(C)cc3)[C@@H]2C1 ZINC001050198115 693136289 /nfs/dbraw/zinc/13/62/89/693136289.db2.gz YSGULMUKLGGWFL-FUHWJXTLSA-N 0 3 314.429 2.483 20 30 DEEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(NS(C)(=O)=O)c1 ZINC000924608950 693158354 /nfs/dbraw/zinc/15/83/54/693158354.db2.gz FPAVSIDFNXJYMU-LBPRGKRZSA-N 0 3 309.435 2.476 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccc4[nH]nc(C)c4c3)C2)CC1 ZINC001050586050 693211704 /nfs/dbraw/zinc/21/17/04/693211704.db2.gz AJADARMWLSDOTM-UHFFFAOYSA-N 0 3 322.412 2.043 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCO[C@@H](CCC)C3)C2)CC1 ZINC001050715305 693236858 /nfs/dbraw/zinc/23/68/58/693236858.db2.gz XAFPEESMRRUNQM-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)c3cccnc3)C2)CC1 ZINC001050731972 693240288 /nfs/dbraw/zinc/24/02/88/693240288.db2.gz YHTFRMROGYJRAN-MRXNPFEDSA-N 0 3 311.429 2.133 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccc(C)cc3OC)C2)CC1 ZINC001050732837 693240505 /nfs/dbraw/zinc/24/05/05/693240505.db2.gz IZYKKTBGFUGSJF-UHFFFAOYSA-N 0 3 312.413 2.175 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)Cc3c[nH]c4ccccc34)C2)CC1 ZINC001050740228 693241886 /nfs/dbraw/zinc/24/18/86/693241886.db2.gz ZLEBTDRDMPTYRK-UHFFFAOYSA-N 0 3 321.424 2.268 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001051968556 693420810 /nfs/dbraw/zinc/42/08/10/693420810.db2.gz BRCQLARZSXNYOV-GOSISDBHSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N2CCN(CC(C)C)CC2)C1 ZINC001052075616 693438193 /nfs/dbraw/zinc/43/81/93/693438193.db2.gz BGOSCYOMKMNOTD-MJGOQNOKSA-N 0 3 321.509 2.463 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC001052074049 693438365 /nfs/dbraw/zinc/43/83/65/693438365.db2.gz SGLFNVKZBHADKW-SFHVURJKSA-N 0 3 319.493 2.360 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cnc([C@@H](C)OC)s2)CC1 ZINC001052381680 693520236 /nfs/dbraw/zinc/52/02/36/693520236.db2.gz WISYUPCNMMOHPG-CHWSQXEVSA-N 0 3 321.446 2.068 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC001052429259 693533078 /nfs/dbraw/zinc/53/30/78/693533078.db2.gz LWWTUPBFNFCSSM-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2nccc3cccnc32)CC1 ZINC001052456730 693539024 /nfs/dbraw/zinc/53/90/24/693539024.db2.gz KDRWKDDMCKARFC-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2snnc2C2CC2)CC1 ZINC001052466628 693541811 /nfs/dbraw/zinc/54/18/11/693541811.db2.gz YEIQIMWWWZZAFN-ZDUSSCGKSA-N 0 3 318.446 2.023 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc3cccnc32)CC1 ZINC001052533762 693560784 /nfs/dbraw/zinc/56/07/84/693560784.db2.gz XTCXWBFWNORPAJ-INIZCTEOSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(COC)c2)CC1 ZINC001052538708 693561875 /nfs/dbraw/zinc/56/18/75/693561875.db2.gz WHQTUNPTWITCOI-QGZVFWFLSA-N 0 3 300.402 2.051 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2c(C)ccnc2OCC)CC1 ZINC001052588743 693573800 /nfs/dbraw/zinc/57/38/00/693573800.db2.gz AJAIBTIBEXOQCG-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](NC(=O)c3cnco3)CC2)c1 ZINC001052605423 693577644 /nfs/dbraw/zinc/57/76/44/693577644.db2.gz LIFPBMULRQSXGP-INIZCTEOSA-N 0 3 324.384 2.331 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)CC1 ZINC001052645381 693587708 /nfs/dbraw/zinc/58/77/08/693587708.db2.gz NMVZPCQGLZBZEJ-GOEBONIOSA-N 0 3 312.413 2.400 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC001052774026 693617377 /nfs/dbraw/zinc/61/73/77/693617377.db2.gz TVEJBWZRBUSBIM-WZGPROSRSA-N 0 3 308.425 2.176 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc(OC)c2F)CC1 ZINC001052818254 693625722 /nfs/dbraw/zinc/62/57/22/693625722.db2.gz NZUFWFLQCPNMPB-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc(OC(C)C)n2)CC1 ZINC001052831824 693627479 /nfs/dbraw/zinc/62/74/79/693627479.db2.gz JGFZKUGLQYSYCM-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC001052872923 693638601 /nfs/dbraw/zinc/63/86/01/693638601.db2.gz LWZKYUDMVVJWEP-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3c(s2)CCOC3)CC1 ZINC001052873447 693638706 /nfs/dbraw/zinc/63/87/06/693638706.db2.gz CVHJVWWHJKUXJU-CQSZACIVSA-N 0 3 318.442 2.038 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2cccc(OC)c2)CC1 ZINC001052905210 693645619 /nfs/dbraw/zinc/64/56/19/693645619.db2.gz GGNHBKIEISCXPQ-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2csc(CC)n2)CC1 ZINC001052954982 693656257 /nfs/dbraw/zinc/65/62/57/693656257.db2.gz XOIDZNWDQQEJPC-AWEZNQCLSA-N 0 3 319.474 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C2=COCCC2)C1 ZINC001053070305 693682940 /nfs/dbraw/zinc/68/29/40/693682940.db2.gz WTIHVFSGGRRGEZ-SJLPKXTDSA-N 0 3 316.445 2.407 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C2=CCOCC2)C1 ZINC001053081110 693685501 /nfs/dbraw/zinc/68/55/01/693685501.db2.gz UGYBSIDLQRLQCK-QZTJIDSGSA-N 0 3 316.445 2.059 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1OC ZINC000932514218 694629503 /nfs/dbraw/zinc/62/95/03/694629503.db2.gz PGLHUXBXHLRWSO-AWEZNQCLSA-N 0 3 301.390 2.171 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001332050427 1149813397 /nfs/dbraw/zinc/81/33/97/1149813397.db2.gz PJDAMJJVJHSZFL-WMLDXEAASA-N 0 3 322.412 2.293 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1nn(C)cc1Cl)C(C)C ZINC001332708438 1149882594 /nfs/dbraw/zinc/88/25/94/1149882594.db2.gz ZWIUQMWMTHMJQK-UHFFFAOYSA-N 0 3 312.845 2.432 20 30 DEEDHN C=CCOCC[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001332755611 1149888738 /nfs/dbraw/zinc/88/87/38/1149888738.db2.gz HJWHJENXPLPTTO-INIZCTEOSA-N 0 3 320.433 2.329 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C1CCN(Cc2cn(C)nc2C)CC1 ZINC001332939718 1149929154 /nfs/dbraw/zinc/92/91/54/1149929154.db2.gz GXCIIGVPCRWJDY-CQSZACIVSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(F)c1 ZINC001333478365 1150055439 /nfs/dbraw/zinc/05/54/39/1150055439.db2.gz AUYYFHZZFJUMRZ-INMHGKMJSA-N 0 3 318.392 2.285 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001334276582 1150256043 /nfs/dbraw/zinc/25/60/43/1150256043.db2.gz NXHOOQAREFUJES-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN Cc1ncsc1CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC001342917726 1150626525 /nfs/dbraw/zinc/62/65/25/1150626525.db2.gz BCWDAVJBWAJXJW-NSHDSACASA-N 0 3 314.370 2.127 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncnc2C)cc1 ZINC001343291293 1150729596 /nfs/dbraw/zinc/72/95/96/1150729596.db2.gz IVGGWDYJHKTVEN-AWEZNQCLSA-N 0 3 308.341 2.309 20 30 DEEDHN C#CCSCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC001343405830 1150739382 /nfs/dbraw/zinc/73/93/82/1150739382.db2.gz QPTQDWFVHVBBHB-UHFFFAOYSA-N 0 3 307.415 2.401 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCCCN(C(=O)CN(CC)CC)C1 ZINC001345191276 1150872737 /nfs/dbraw/zinc/87/27/37/1150872737.db2.gz LVDPEYVWSIFZPO-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN Cc1ncncc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC001347064382 1151040430 /nfs/dbraw/zinc/04/04/30/1151040430.db2.gz XTDNKRFWZBBPJU-JTQLQIEISA-N 0 3 314.732 2.400 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(C(=O)CN(CC)CC)CC1 ZINC001350869688 1151416522 /nfs/dbraw/zinc/41/65/22/1151416522.db2.gz IARMZIZMCCJEBA-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@](O)(CNCC#C[C@@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC001353378325 1151827240 /nfs/dbraw/zinc/82/72/40/1151827240.db2.gz UEJKQBHIGXUSHN-QWRGUYRKSA-N 0 3 315.282 2.097 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001402703159 1162444082 /nfs/dbraw/zinc/44/40/82/1162444082.db2.gz MHACIZFVAMLDBZ-OCAKLBGPSA-N 0 3 304.221 2.293 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC001354330119 1151886841 /nfs/dbraw/zinc/88/68/41/1151886841.db2.gz HCFBRVIMOQCMNF-SRVKXCTJSA-N 0 3 308.344 2.238 20 30 DEEDHN Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ncc1C#N ZINC001413891153 1152096772 /nfs/dbraw/zinc/09/67/72/1152096772.db2.gz ZITUMSLRRGVBMS-GOSISDBHSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC001357276016 1152279869 /nfs/dbraw/zinc/27/98/69/1152279869.db2.gz GTRKJKPFBCECLU-AWEZNQCLSA-N 0 3 305.378 2.165 20 30 DEEDHN C#CCCCn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001358920537 1152527792 /nfs/dbraw/zinc/52/77/92/1152527792.db2.gz AZUIADCBRCGYPD-UHFFFAOYSA-N 0 3 301.438 2.065 20 30 DEEDHN CCOC(=O)[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC001362198530 1152848011 /nfs/dbraw/zinc/84/80/11/1152848011.db2.gz ITNKGNDWMUWWOS-DZGCQCFKSA-N 0 3 302.374 2.074 20 30 DEEDHN CCOC(=O)[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC001362198549 1152848030 /nfs/dbraw/zinc/84/80/30/1152848030.db2.gz ITNKGNDWMUWWOS-ZFWWWQNUSA-N 0 3 302.374 2.074 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001381189545 1152943314 /nfs/dbraw/zinc/94/33/14/1152943314.db2.gz DRIZXSIIUFMGOG-NWDGAFQWSA-N 0 3 310.829 2.067 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001381199882 1152948517 /nfs/dbraw/zinc/94/85/17/1152948517.db2.gz HZLIYQWLFRLMBU-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001381321152 1153004779 /nfs/dbraw/zinc/00/47/79/1153004779.db2.gz LWMBCBQOINXTCU-UHFFFAOYSA-N 0 3 323.824 2.331 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@H](CC#N)c2ccccc2)C[C@H]1N(C)C ZINC001362772507 1153082115 /nfs/dbraw/zinc/08/21/15/1153082115.db2.gz FNEQHNOPUIDLAV-BZUAXINKSA-N 0 3 317.458 2.188 20 30 DEEDHN N#CC1(C[C@H](O)CN2CCC[C@H](c3ccncn3)C2)CCC1 ZINC001363202552 1153265742 /nfs/dbraw/zinc/26/57/42/1153265742.db2.gz WYVHHRNPPKEVME-GJZGRUSLSA-N 0 3 300.406 2.101 20 30 DEEDHN N#CC1(C[C@H](O)CN2CCC[C@@H](c3ccncn3)C2)CCC1 ZINC001363202545 1153265954 /nfs/dbraw/zinc/26/59/54/1153265954.db2.gz WYVHHRNPPKEVME-CABCVRRESA-N 0 3 300.406 2.101 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001381977409 1153300734 /nfs/dbraw/zinc/30/07/34/1153300734.db2.gz UXAAYPOTPRYKSL-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN CCc1noc(C)c1CNC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001382527834 1153463773 /nfs/dbraw/zinc/46/37/73/1153463773.db2.gz RRMODAAXMXBRKL-XHDPSFHLSA-N 0 3 320.437 2.326 20 30 DEEDHN Cc1ncccc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001402987620 1162601830 /nfs/dbraw/zinc/60/18/30/1162601830.db2.gz WACKUMCWPKETNZ-LLVKDONJSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cccc(F)c2Cl)C1 ZINC001389840452 1155450253 /nfs/dbraw/zinc/45/02/53/1155450253.db2.gz YKOAGAQCQNLECG-DLOVCJGASA-N 0 3 309.772 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001389915555 1155470581 /nfs/dbraw/zinc/47/05/81/1155470581.db2.gz NOYSYZABTMCAFO-IHRRRGAJSA-N 0 3 300.830 2.181 20 30 DEEDHN CCOCC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001370911896 1155629984 /nfs/dbraw/zinc/62/99/84/1155629984.db2.gz SSRIKWMTOMGFHD-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN COCC1(CC(=O)NC[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001390363165 1155677723 /nfs/dbraw/zinc/67/77/23/1155677723.db2.gz OQHHXFACELLWFQ-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](CNC(=O)C1(C(F)F)CC1)NCc1ccc(C#N)s1 ZINC001390375639 1155685060 /nfs/dbraw/zinc/68/50/60/1155685060.db2.gz IRABJKAMEWZDRQ-VIFPVBQESA-N 0 3 313.373 2.259 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC12CC2)NCc1ccc(F)c(C#N)c1 ZINC001390478863 1155750462 /nfs/dbraw/zinc/75/04/62/1155750462.db2.gz FSKPXDCIRRLCCN-BXUZGUMPSA-N 0 3 301.365 2.092 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@H](F)C(C)C)cc1C#N ZINC001371321005 1155822804 /nfs/dbraw/zinc/82/28/04/1155822804.db2.gz QAYVNZGNAWOARV-BLLLJJGKSA-N 0 3 321.396 2.155 20 30 DEEDHN C[C@H](CCNC(=O)c1ccsn1)NCc1ccccc1C#N ZINC001390675431 1155835060 /nfs/dbraw/zinc/83/50/60/1155835060.db2.gz GAMJUBDIEDJJFL-GFCCVEGCSA-N 0 3 314.414 2.313 20 30 DEEDHN CCc1noc(C)c1CNCC1(NC(=O)[C@@H](C)C#N)CCCC1 ZINC001391762774 1156787002 /nfs/dbraw/zinc/78/70/02/1156787002.db2.gz NQDHSYDTEPUWNE-LBPRGKRZSA-N 0 3 318.421 2.224 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCO[C@H]2C)CCCC1 ZINC001391769836 1156794906 /nfs/dbraw/zinc/79/49/06/1156794906.db2.gz LUAZRARGJXHYAU-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001391789333 1156803317 /nfs/dbraw/zinc/80/33/17/1156803317.db2.gz OFKDPXKDUIUSQL-CJNGLKHVSA-N 0 3 314.857 2.430 20 30 DEEDHN CCCC[C@H](CNCc1ncccc1C)NC(=O)[C@@H](C)C#N ZINC001403264031 1162830919 /nfs/dbraw/zinc/83/09/19/1162830919.db2.gz BGLLFFLWMJJIEK-LSDHHAIUSA-N 0 3 302.422 2.314 20 30 DEEDHN Cc1c(C(=O)N[C@H](C)CN(C)Cc2cccc(C#N)c2)ccn1C ZINC001392681521 1157329717 /nfs/dbraw/zinc/32/97/17/1157329717.db2.gz CFPRAOPGBBVTOS-CQSZACIVSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2ccon2)CCCC1 ZINC001373848840 1157404641 /nfs/dbraw/zinc/40/46/41/1157404641.db2.gz IMLMCFZBBRBHIN-UHFFFAOYSA-N 0 3 311.813 2.378 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(OC)ccn1)C1CC1 ZINC001373882149 1157430300 /nfs/dbraw/zinc/43/03/00/1157430300.db2.gz AWFXDXYVXWPEFT-INIZCTEOSA-N 0 3 323.824 2.331 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001392924697 1157542562 /nfs/dbraw/zinc/54/25/62/1157542562.db2.gz KJRHDWOCRNWFRT-BXUZGUMPSA-N 0 3 301.365 2.092 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001403410259 1162875025 /nfs/dbraw/zinc/87/50/25/1162875025.db2.gz KLRKPUFXTLQXLT-WCXIOVBPSA-N 0 3 315.392 2.100 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC001403438576 1162882458 /nfs/dbraw/zinc/88/24/58/1162882458.db2.gz JMWSJNPZBDHLJQ-JOCQHMNTSA-N 0 3 309.841 2.438 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001403470318 1162892710 /nfs/dbraw/zinc/89/27/10/1162892710.db2.gz HKKJZSXPMGYUMP-AAEUAGOBSA-N 0 3 324.856 2.316 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)Cc1ccc[nH]1 ZINC001374329343 1157814374 /nfs/dbraw/zinc/81/43/74/1157814374.db2.gz SLFGHBJVHBAZFZ-GFCCVEGCSA-N 0 3 316.430 2.127 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cncc1C ZINC001374394214 1157837846 /nfs/dbraw/zinc/83/78/46/1157837846.db2.gz GVUJSKYKIDXYTJ-SWLSCSKDSA-N 0 3 324.856 2.161 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCC(N(C)CCF)CC1)OCC ZINC001571331206 1157839387 /nfs/dbraw/zinc/83/93/87/1157839387.db2.gz MRQMFVQHJFJNDD-OAHLLOKOSA-N 0 3 300.418 2.250 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)CCc1ccc(Cl)cc1 ZINC001374469948 1157867212 /nfs/dbraw/zinc/86/72/12/1157867212.db2.gz CJLYEDSFWJETRG-ZDUSSCGKSA-N 0 3 307.825 2.432 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C2(CCC)CC2)CC1 ZINC001393775740 1157965526 /nfs/dbraw/zinc/96/55/26/1157965526.db2.gz LSVGLLNRYBEANE-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1COc2ccccc2O1 ZINC001393825782 1158011400 /nfs/dbraw/zinc/01/14/00/1158011400.db2.gz ZSQWTOUZWHBKLX-WFASDCNBSA-N 0 3 324.808 2.063 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C[C@H]1CCCOC1 ZINC001374977430 1158147635 /nfs/dbraw/zinc/14/76/35/1158147635.db2.gz AHUQUYOJRKYGGW-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN COC[C@H](C)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375134898 1158342988 /nfs/dbraw/zinc/34/29/88/1158342988.db2.gz QOTLWQUOZJIRKL-HUUCEWRRSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2=COCCO2)CCCCC1 ZINC001394182405 1158352998 /nfs/dbraw/zinc/35/29/98/1158352998.db2.gz NZVUJPXLIDEZLU-UHFFFAOYSA-N 0 3 314.813 2.036 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC001568506773 1158418352 /nfs/dbraw/zinc/41/83/52/1158418352.db2.gz UUNXMIVWCSCFDJ-UHFFFAOYSA-N 0 3 307.463 2.468 20 30 DEEDHN Cc1conc1C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001394535803 1158618361 /nfs/dbraw/zinc/61/83/61/1158618361.db2.gz DOVWDUXPBLQUGC-NSHDSACASA-N 0 3 318.402 2.167 20 30 DEEDHN CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC/C=C\Cl ZINC001394711436 1158716244 /nfs/dbraw/zinc/71/62/44/1158716244.db2.gz IPHGUPAHTOVRLL-SCOBNMCVSA-N 0 3 306.797 2.079 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H](F)C(C)C)C1 ZINC001375542555 1158807844 /nfs/dbraw/zinc/80/78/44/1158807844.db2.gz NUERAPGSGAITGP-IJLUTSLNSA-N 0 3 321.234 2.374 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)OCC(C)C)C1 ZINC001394849535 1158812183 /nfs/dbraw/zinc/81/21/83/1158812183.db2.gz SOFFXCIMCCWHDC-IYXRBSQSSA-N 0 3 302.846 2.379 20 30 DEEDHN CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001376286311 1159316328 /nfs/dbraw/zinc/31/63/28/1159316328.db2.gz FRSOZLXUMGBUPE-MXPWBENCSA-N 0 3 320.824 2.423 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NCc1ccc(C#N)s1 ZINC001376697282 1159698895 /nfs/dbraw/zinc/69/88/95/1159698895.db2.gz LSAZMJKHGZEMLH-BSLXNSKLSA-N 0 3 303.431 2.260 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC001376706026 1159709187 /nfs/dbraw/zinc/70/91/87/1159709187.db2.gz LDEJNLZYEBBBEF-IUODEOHRSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001376709377 1159712506 /nfs/dbraw/zinc/71/25/06/1159712506.db2.gz ZGUZFEHONGWPKS-SMDDNHRTSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CC(C)(C)C2)CCOCC1 ZINC001377192623 1160024802 /nfs/dbraw/zinc/02/48/02/1160024802.db2.gz VFCIVKNABSZFOI-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)CC(F)(F)F ZINC001377410356 1160339344 /nfs/dbraw/zinc/33/93/44/1160339344.db2.gz OLMVMRUUJHIZBR-QMMMGPOBSA-N 0 3 317.149 2.332 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](OC)[C@H](C)CC)C1 ZINC001397604582 1160358738 /nfs/dbraw/zinc/35/87/38/1160358738.db2.gz IAOUUZNYIBUPAQ-ZZVYKPCYSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001377712764 1160771013 /nfs/dbraw/zinc/77/10/13/1160771013.db2.gz NXDOFHMWXIQFJZ-UHFFFAOYSA-N 0 3 323.824 2.200 20 30 DEEDHN CC(F)(F)C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001399894641 1161601652 /nfs/dbraw/zinc/60/16/52/1161601652.db2.gz OGWOHYXJYMUVCN-AWEZNQCLSA-N 0 3 307.344 2.152 20 30 DEEDHN CC[C@@H](CNC(=O)C(C)(C)F)NCc1ccc(C#N)c(F)c1 ZINC001400782511 1161820052 /nfs/dbraw/zinc/82/00/52/1161820052.db2.gz LJMWYIARLLNIBD-ZDUSSCGKSA-N 0 3 309.360 2.430 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](OC)C2CC2)CCCC1 ZINC001401179358 1161888152 /nfs/dbraw/zinc/88/81/52/1161888152.db2.gz GZBVKCLNPMEFCJ-CYBMUJFWSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCO[C@H]2C)CCCC1 ZINC001401191405 1161890275 /nfs/dbraw/zinc/89/02/75/1161890275.db2.gz XTPKALKMEZXWHH-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN CCC(C)(CC)C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 ZINC001401562014 1162034756 /nfs/dbraw/zinc/03/47/56/1162034756.db2.gz HYLCCCYTTZLDFA-GFCCVEGCSA-N 0 3 323.462 2.013 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cc1ccco1 ZINC001401653319 1162060588 /nfs/dbraw/zinc/06/05/88/1162060588.db2.gz IOOWPCKFXFQXDF-GFCCVEGCSA-N 0 3 315.348 2.127 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001401918621 1162181466 /nfs/dbraw/zinc/18/14/66/1162181466.db2.gz KJRHDWOCRNWFRT-SMDDNHRTSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001401918617 1162181497 /nfs/dbraw/zinc/18/14/97/1162181497.db2.gz KJRHDWOCRNWFRT-RISCZKNCSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccon1 ZINC001402018799 1162217802 /nfs/dbraw/zinc/21/78/02/1162217802.db2.gz NVQXORKSZLQHTH-OCCSQVGLSA-N 0 3 311.813 2.329 20 30 DEEDHN CCN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccc(F)cc1 ZINC001403844817 1163246569 /nfs/dbraw/zinc/24/65/69/1163246569.db2.gz JZSSRAQVMXVTPR-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN CC[C@@H](CNC(=O)C1CCC1)NCc1cc(C#N)ccc1OC ZINC001405189204 1164004109 /nfs/dbraw/zinc/00/41/09/1164004109.db2.gz KPUMUZZSQQZZCF-INIZCTEOSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)n1cccn1)C1CC1 ZINC001405467715 1164106516 /nfs/dbraw/zinc/10/65/16/1164106516.db2.gz ZKEIDRAFBLHHDE-IUODEOHRSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(CC)nn1C)C1CC1 ZINC001405497244 1164120934 /nfs/dbraw/zinc/12/09/34/1164120934.db2.gz IJCWXSBCRRPLNP-MRXNPFEDSA-N 0 3 324.856 2.223 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cccc(OC)n1)C1CC1 ZINC001405519845 1164131718 /nfs/dbraw/zinc/13/17/18/1164131718.db2.gz WDPKRHHSNZZUPV-INIZCTEOSA-N 0 3 323.824 2.331 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(CC3CCCCC3)C2)O1 ZINC001407957855 1165411048 /nfs/dbraw/zinc/41/10/48/1165411048.db2.gz AOFZFHNFBRFRNS-ZBFHGGJFSA-N 0 3 319.449 2.076 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCc3ccccc3[C@H]2CO)c1 ZINC001413960359 1165699489 /nfs/dbraw/zinc/69/94/89/1165699489.db2.gz ZIRWGCLLYZBTAN-RTBURBONSA-N 0 3 308.381 2.183 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418119228 1167422900 /nfs/dbraw/zinc/42/29/00/1167422900.db2.gz ISRSNQGZYFYWBN-AWEZNQCLSA-N 0 3 313.873 2.051 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418205146 1167487044 /nfs/dbraw/zinc/48/70/44/1167487044.db2.gz PKKGPIHLNODTPF-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001418316407 1167572098 /nfs/dbraw/zinc/57/20/98/1167572098.db2.gz IFTBHYPTBHAKMG-DZGCQCFKSA-N 0 3 309.841 2.136 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001418409861 1167634000 /nfs/dbraw/zinc/63/40/00/1167634000.db2.gz FKOLOFMPLYRTHK-YUTCNCBUSA-N 0 3 300.830 2.038 20 30 DEEDHN CCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(CCCF)C1 ZINC001418872161 1168026058 /nfs/dbraw/zinc/02/60/58/1168026058.db2.gz XIVMELWHDPVILI-CQSZACIVSA-N 0 3 306.385 2.172 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001419069612 1168175955 /nfs/dbraw/zinc/17/59/55/1168175955.db2.gz VCDNLVXXOHWOBG-OCCSQVGLSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1C ZINC001419074043 1168179608 /nfs/dbraw/zinc/17/96/08/1168179608.db2.gz BGAHZFVDSGINKN-UKRRQHHQSA-N 0 3 324.856 2.303 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cn[nH]c2)CCCC[C@H]1C ZINC001419363035 1168423975 /nfs/dbraw/zinc/42/39/75/1168423975.db2.gz FPWCOYJNKPEWEH-ABAIWWIYSA-N 0 3 310.829 2.431 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC(F)(F)F ZINC001420281977 1169316810 /nfs/dbraw/zinc/31/68/10/1169316810.db2.gz OLALQVOKIIEEAL-MRVPVSSYSA-N 0 3 305.325 2.166 20 30 DEEDHN CCN(CCNC(=O)[C@@H]1CC1(F)F)Cc1cccc(C#N)c1 ZINC001420383544 1169443313 /nfs/dbraw/zinc/44/33/13/1169443313.db2.gz YNYPDZGHVHEHQC-AWEZNQCLSA-N 0 3 307.344 2.152 20 30 DEEDHN CCN(CCNC(=O)C1(C)CC1)Cc1ccc(OCC#N)cc1 ZINC001420388527 1169456907 /nfs/dbraw/zinc/45/69/07/1169456907.db2.gz VSZAXWIFIJUEQT-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN CC(C)(F)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001421719362 1171927314 /nfs/dbraw/zinc/92/73/14/1171927314.db2.gz OGOIYAVIPOADQW-UHFFFAOYSA-N 0 3 309.410 2.496 20 30 DEEDHN CO[C@H](C(=O)NC[C@@H](C)CNCc1ccccc1C#N)C(C)C ZINC001421727991 1171937643 /nfs/dbraw/zinc/93/76/43/1171937643.db2.gz UPEFJZNQEWMOSK-YOEHRIQHSA-N 0 3 317.433 2.071 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cscn2)CCCC1 ZINC001421836964 1172031259 /nfs/dbraw/zinc/03/12/59/1172031259.db2.gz AGADOEVCLLRYJS-UHFFFAOYSA-N 0 3 313.854 2.457 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cccnc1C)C(C)C ZINC001422107345 1172307772 /nfs/dbraw/zinc/30/77/72/1172307772.db2.gz IKCHXBGKQHQOME-OAHLLOKOSA-N 0 3 309.841 2.415 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cn2c(n1)CCCC2)C(C)C ZINC001422110181 1172310412 /nfs/dbraw/zinc/31/04/12/1172310412.db2.gz PYRQHWBFQIWSES-CYBMUJFWSA-N 0 3 324.856 2.316 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001422233366 1172418549 /nfs/dbraw/zinc/41/85/49/1172418549.db2.gz RJWQRXUCMQOCAV-HNNXBMFYSA-N 0 3 313.873 2.146 20 30 DEEDHN COC[C@@H](C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001422577505 1172724317 /nfs/dbraw/zinc/72/43/17/1172724317.db2.gz VHVHZSMDACBDFU-LSDHHAIUSA-N 0 3 317.433 2.167 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001422791283 1172865835 /nfs/dbraw/zinc/86/58/35/1172865835.db2.gz SHBAQCIVKOIIJV-OLZOCXBDSA-N 0 3 305.447 2.246 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001422918698 1172932797 /nfs/dbraw/zinc/93/27/97/1172932797.db2.gz TZJRLIIYFVMBNY-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)C3(C4CC4)CC3)CC2)cc1 ZINC001423234267 1173175894 /nfs/dbraw/zinc/17/58/94/1173175894.db2.gz VVPQJQKXUDLDHC-UHFFFAOYSA-N 0 3 309.413 2.487 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001423284494 1173205539 /nfs/dbraw/zinc/20/55/39/1173205539.db2.gz JFKOVYWRGOWEJF-AWEZNQCLSA-N 0 3 313.873 2.242 20 30 DEEDHN Cc1c[nH]cc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001423306916 1173222118 /nfs/dbraw/zinc/22/21/18/1173222118.db2.gz QBKUJNMODSRDTA-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc3nccn32)C1 ZINC001425405878 1174307611 /nfs/dbraw/zinc/30/76/11/1174307611.db2.gz XBVORGARMZUGIM-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001425404930 1174307670 /nfs/dbraw/zinc/30/76/70/1174307670.db2.gz MCUDMJGZKFTWHE-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN CCn1cccc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1=O ZINC001433503885 1177856487 /nfs/dbraw/zinc/85/64/87/1177856487.db2.gz UYAXTNGFMDMQJO-OAHLLOKOSA-N 0 3 320.352 2.061 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCn1cccn1 ZINC001436658064 1179169972 /nfs/dbraw/zinc/16/99/72/1179169972.db2.gz AFMSKODGPPEVEW-GJZGRUSLSA-N 0 3 324.856 2.385 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)[C@@H]2CC23CC3)C2CC2)s1 ZINC001436818659 1179262112 /nfs/dbraw/zinc/26/21/12/1179262112.db2.gz YLUJEOVSLSRHNU-GJZGRUSLSA-N 0 3 315.442 2.404 20 30 DEEDHN Cc1cc(C(=O)NCC[C@@H](C)NCc2ccccc2C#N)no1 ZINC001437357309 1179755667 /nfs/dbraw/zinc/75/56/67/1179755667.db2.gz QQGIKUQQKBYNJI-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN Cc1ccc(CN(C)CCNC(=O)c2cc(C#N)c[nH]2)cc1C ZINC001437448221 1179807654 /nfs/dbraw/zinc/80/76/54/1179807654.db2.gz PLSUKOKDTHAOID-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCO[C@H]1CC)C1CC1 ZINC001438417328 1180405221 /nfs/dbraw/zinc/40/52/21/1180405221.db2.gz CPTUAOMUNSXBIO-YCPHGPKFSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cnon2)CCCC[C@@H]1C ZINC001438431331 1180418668 /nfs/dbraw/zinc/41/86/68/1180418668.db2.gz IONQFMAOQZIWQL-HZMBPMFUSA-N 0 3 312.801 2.090 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cn(CC)cn2)CCCC1 ZINC001438613926 1180668047 /nfs/dbraw/zinc/66/80/47/1180668047.db2.gz PXLCPFQPIYZCFJ-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)C1CCC1 ZINC001438628347 1180694864 /nfs/dbraw/zinc/69/48/64/1180694864.db2.gz ZDJSREYFMPPLQH-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438628334 1180695907 /nfs/dbraw/zinc/69/59/07/1180695907.db2.gz NZUWHXVTZSXVTO-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)Cc1ccc[nH]1 ZINC001439406099 1181075856 /nfs/dbraw/zinc/07/58/56/1181075856.db2.gz LJNXZPJSEZGQGC-CQSZACIVSA-N 0 3 310.401 2.066 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001439933428 1181312609 /nfs/dbraw/zinc/31/26/09/1181312609.db2.gz KXWCNCODFYFTET-BEFAXECRSA-N 0 3 324.428 2.436 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001440427425 1181509229 /nfs/dbraw/zinc/50/92/29/1181509229.db2.gz MWZSYPOWMHIEOJ-ZDUSSCGKSA-N 0 3 316.380 2.137 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccnc(C)n1 ZINC001440888855 1181744203 /nfs/dbraw/zinc/74/42/03/1181744203.db2.gz WGZDUPACGWESSW-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN COc1cccc(CN(C)[C@@H](C)CNC(=O)[C@H](C)C#N)c1C ZINC001440910682 1181761323 /nfs/dbraw/zinc/76/13/23/1181761323.db2.gz HYKAJPGYFGJFPV-OLZOCXBDSA-N 0 3 303.406 2.100 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440917405 1181773519 /nfs/dbraw/zinc/77/35/19/1181773519.db2.gz YFRQISLNGPNYEO-OLZOCXBDSA-N 0 3 305.447 2.246 20 30 DEEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1cccc(F)c1 ZINC001440920029 1181774990 /nfs/dbraw/zinc/77/49/90/1181774990.db2.gz PKSBFZKZTIZUSE-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@H]1CNC(=O)CN(C)CCC ZINC001441139021 1181864813 /nfs/dbraw/zinc/86/48/13/1181864813.db2.gz QWILGWWXRJNTEP-HNNXBMFYSA-N 0 3 315.889 2.442 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NCc1ccc(F)c(C#N)c1 ZINC001441601703 1182084360 /nfs/dbraw/zinc/08/43/60/1182084360.db2.gz ZMASYGDOCCBAKR-TYNCELHUSA-N 0 3 303.381 2.290 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1c(C)noc1Cl ZINC001442312051 1182415173 /nfs/dbraw/zinc/41/51/73/1182415173.db2.gz KUEMBKKXWIEICE-SECBINFHSA-N 0 3 320.220 2.416 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1cccc(C(C)C)n1 ZINC001443890448 1183185961 /nfs/dbraw/zinc/18/59/61/1183185961.db2.gz CEJDCLSCBNXKJR-KGLIPLIRSA-N 0 3 302.422 2.349 20 30 DEEDHN CC[C@@H](F)CNC[C@H](CC(C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC001444746953 1183539913 /nfs/dbraw/zinc/53/99/13/1183539913.db2.gz JPUYICHTEXKHID-KGLIPLIRSA-N 0 3 308.401 2.369 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)c1cncc(F)c1 ZINC001445349593 1183842089 /nfs/dbraw/zinc/84/20/89/1183842089.db2.gz DTQAPVRVPZOARW-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CC1(C)C ZINC001445355276 1183844790 /nfs/dbraw/zinc/84/47/90/1183844790.db2.gz PAZBYYBJPOJMJE-BXUZGUMPSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccco1)N(C)Cc1ccc(C#N)cc1 ZINC001448106443 1185080322 /nfs/dbraw/zinc/08/03/22/1185080322.db2.gz UDBKDDAVSUSZQJ-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(CNCc2ccc(F)cn2)CCCCC1 ZINC001448219130 1185119097 /nfs/dbraw/zinc/11/90/97/1185119097.db2.gz CAYOOKXHSJQTRZ-CYBMUJFWSA-N 0 3 318.396 2.289 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(CNCc2ccccn2)CCCCC1 ZINC001448223095 1185120021 /nfs/dbraw/zinc/12/00/21/1185120021.db2.gz PMAPBKTUHVRKJN-CQSZACIVSA-N 0 3 300.406 2.150 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)NCC(C)(C)C)[C@H]1C ZINC001331916530 1149769536 /nfs/dbraw/zinc/76/95/36/1149769536.db2.gz GHHRJXBRIWOPNU-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccc(C)nc1)C(C)C ZINC001406068436 1164421875 /nfs/dbraw/zinc/42/18/75/1164421875.db2.gz KHDNAGYNVHCJMQ-HNNXBMFYSA-N 0 3 309.841 2.415 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001370500138 1149800843 /nfs/dbraw/zinc/80/08/43/1149800843.db2.gz NFHPPDYMICIVCK-IHRRRGAJSA-N 0 3 307.344 2.182 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CC[C@@H]3CCCO3)CCC[C@@H]12 ZINC001332068333 1149815788 /nfs/dbraw/zinc/81/57/88/1149815788.db2.gz IJXAQGHNTJSOFM-LZLYRXPVSA-N 0 3 304.434 2.082 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)CCCOC(C)C)CCC[C@@H]12 ZINC001332122089 1149822090 /nfs/dbraw/zinc/82/20/90/1149822090.db2.gz ZYTUYONZLMBSKM-AEFFLSMTSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCn2cccn2)[C@@H]1C ZINC001332183309 1149831288 /nfs/dbraw/zinc/83/12/88/1149831288.db2.gz BJPYCYBGHUJELS-CVEARBPZSA-N 0 3 304.438 2.209 20 30 DEEDHN Cc1cc(CNC[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)on1 ZINC001106105941 782238672 /nfs/dbraw/zinc/23/86/72/782238672.db2.gz AHACHAZLNPOLRO-UKRRQHHQSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@H]1C ZINC001332217770 1149836283 /nfs/dbraw/zinc/83/62/83/1149836283.db2.gz IOTZXDUKJKZEOH-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccc(F)cc2)[C@@H]1C ZINC001332221418 1149837714 /nfs/dbraw/zinc/83/77/14/1149837714.db2.gz YAXJLXDPAOZWCY-WMLDXEAASA-N 0 3 318.392 2.197 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2snnc2C)CC(C)(C)C1 ZINC001089312791 782495656 /nfs/dbraw/zinc/49/56/56/782495656.db2.gz LHYRPORCSJGRKS-ZDUSSCGKSA-N 0 3 320.462 2.090 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCCc4cccnc43)C2)C1 ZINC001072909047 790298399 /nfs/dbraw/zinc/29/83/99/790298399.db2.gz JJRUCWQZPVQICN-INIZCTEOSA-N 0 3 311.429 2.222 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001332676261 1149879399 /nfs/dbraw/zinc/87/93/99/1149879399.db2.gz JEAWXJAKIVCFEV-WMZOPIPTSA-N 0 3 308.466 2.450 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C2(COC)CCCCC2)CC1 ZINC001332985320 1149943999 /nfs/dbraw/zinc/94/39/99/1149943999.db2.gz LJVZMENNUSMVBP-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CN(C(=O)[C@H]1CC12CC2)C1CC(NCC#Cc2ccccc2)C1 ZINC001333121218 1150003580 /nfs/dbraw/zinc/00/35/80/1150003580.db2.gz QVTXSZOFFQLVSY-DAWZGUTISA-N 0 3 308.425 2.417 20 30 DEEDHN CCCN(C)CC(=O)N[C@H](C)CCNc1cccc(F)c1C#N ZINC001106407897 782691546 /nfs/dbraw/zinc/69/15/46/782691546.db2.gz VTRONTCOWXBCBR-CYBMUJFWSA-N 0 3 320.412 2.346 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cscn2)CC(C)(C)C1 ZINC001089336718 782785978 /nfs/dbraw/zinc/78/59/78/782785978.db2.gz XGQSAGYJAKPUNN-ZDUSSCGKSA-N 0 3 305.447 2.387 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1C(F)(F)F ZINC001099306163 783036238 /nfs/dbraw/zinc/03/62/38/783036238.db2.gz PKJKUVFJIFXJMH-VXGBXAGGSA-N 0 3 302.340 2.342 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)cs2)[C@H](OC)C1 ZINC001212218852 783041942 /nfs/dbraw/zinc/04/19/42/783041942.db2.gz NAGJFIGFRJPSQT-ZIAGYGMSSA-N 0 3 308.447 2.452 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)cn2)CC(C)(C)C1 ZINC001089368569 783053936 /nfs/dbraw/zinc/05/39/36/783053936.db2.gz SDVQTEYIFCLIBT-HNNXBMFYSA-N 0 3 317.408 2.464 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C2 ZINC001095781393 783092211 /nfs/dbraw/zinc/09/22/11/783092211.db2.gz UPHJDXRTYKGZFI-QZWWFDLISA-N 0 3 318.461 2.327 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccncc2CC)CC(C)(C)C1 ZINC001089426174 783093884 /nfs/dbraw/zinc/09/38/84/783093884.db2.gz HMHCZNQDLQMLBZ-INIZCTEOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)CC(C)(C)C1 ZINC001089437610 783107680 /nfs/dbraw/zinc/10/76/80/783107680.db2.gz FADFWYPZUIIKLV-HOTGVXAUSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(COC)o2)CC(C)(C)C1 ZINC001089436074 783107806 /nfs/dbraw/zinc/10/78/06/783107806.db2.gz SGXCMONEMAEHKI-CQSZACIVSA-N 0 3 318.417 2.280 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ocnc2CC)CC(C)(C)C1 ZINC001089487148 783152782 /nfs/dbraw/zinc/15/27/82/783152782.db2.gz IJLRHJNRRVQRPE-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccnc2C)CC(C)(C)C1 ZINC001089491973 783157801 /nfs/dbraw/zinc/15/78/01/783157801.db2.gz ZDJHZCFMOHVURQ-KRWDZBQOSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C[C@@H]1C ZINC000947521167 783159171 /nfs/dbraw/zinc/15/91/71/783159171.db2.gz XRYPIGXFYVVNJX-GOEBONIOSA-N 0 3 322.412 2.293 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCOCC2)C[C@H]1C ZINC000947526905 783161540 /nfs/dbraw/zinc/16/15/40/783161540.db2.gz AXKRDSZBHIGWNU-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CC3)CCOCC2)C[C@H]1C ZINC000947573129 783177461 /nfs/dbraw/zinc/17/74/61/783177461.db2.gz YWDJXDQXKYQHDA-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000947597555 783184347 /nfs/dbraw/zinc/18/43/47/783184347.db2.gz IDIMEAHXXDXLTM-DZGCQCFKSA-N 0 3 323.396 2.156 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000947666965 783202199 /nfs/dbraw/zinc/20/21/99/783202199.db2.gz NVUJEMHYAVTGPN-DOMZBBRYSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C[C@H]1C ZINC000947735617 783217190 /nfs/dbraw/zinc/21/71/90/783217190.db2.gz NHYDQLSQITUQPI-ZIAGYGMSSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C[C@@H]1C ZINC000947734822 783217639 /nfs/dbraw/zinc/21/76/39/783217639.db2.gz GRJZFWZWHAWADO-GXTWGEPZSA-N 0 3 304.365 2.050 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@H](O)C1 ZINC001090541757 790341802 /nfs/dbraw/zinc/34/18/02/790341802.db2.gz XWPHMLMOEIOTGM-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001090599423 790387831 /nfs/dbraw/zinc/38/78/31/790387831.db2.gz FQBDEMRSLGQQRP-IRXDYDNUSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CO[C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001073026726 790398576 /nfs/dbraw/zinc/39/85/76/790398576.db2.gz NXRIWEMUSJBQHR-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](O)C1 ZINC001090654068 790421207 /nfs/dbraw/zinc/42/12/07/790421207.db2.gz FFLWZGAJTJQUJH-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3CCO[C@@H](CC)C3)C2)C1 ZINC001073108714 790459481 /nfs/dbraw/zinc/45/94/81/790459481.db2.gz HZFGHDJOOCLJIE-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001167087563 776641006 /nfs/dbraw/zinc/64/10/06/776641006.db2.gz FFCBFDOEDMJXEG-OCCSQVGLSA-N 0 3 314.857 2.288 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)[C@H](O)C1 ZINC001090747856 790482593 /nfs/dbraw/zinc/48/25/93/790482593.db2.gz LAHCACZQXSGRTH-HUUCEWRRSA-N 0 3 324.371 2.365 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001167422500 777015890 /nfs/dbraw/zinc/01/58/90/777015890.db2.gz RLLJFVVGDVFAMW-LBPRGKRZSA-N 0 3 324.856 2.217 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2C)C1 ZINC001111587050 777236154 /nfs/dbraw/zinc/23/61/54/777236154.db2.gz YSCNMEFJOVPEON-YJBOKZPZSA-N 0 3 318.417 2.375 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC([C@@H]2CCCN(CCF)CC2)CC1 ZINC001075448425 777331629 /nfs/dbraw/zinc/33/16/29/777331629.db2.gz XPVNPDBMEZPDQK-HUUCEWRRSA-N 0 3 309.429 2.456 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CSCCC)C[C@H]1c1ccccc1 ZINC001211544166 777336165 /nfs/dbraw/zinc/33/61/65/777336165.db2.gz WQBGLCPRADYHSR-DLBZAZTESA-N 0 3 316.470 2.347 20 30 DEEDHN C=CCCCC(=O)N1CCC(C)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001073226412 790530500 /nfs/dbraw/zinc/53/05/00/790530500.db2.gz WOWCIBNDRLVVRS-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001167591685 777363614 /nfs/dbraw/zinc/36/36/14/777363614.db2.gz LCSIOVJHWQJFMC-JQWIXIFHSA-N 0 3 303.244 2.427 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100596861 777385443 /nfs/dbraw/zinc/38/54/43/777385443.db2.gz GQQWYNVBFOGLHY-HSBZDZAISA-N 0 3 322.478 2.433 20 30 DEEDHN COC(=O)[C@H](CS)Nc1ccc(CN2CCCC[C@@H]2C)cn1 ZINC001167622591 777400931 /nfs/dbraw/zinc/40/09/31/777400931.db2.gz WPOLMOXUIMUIKT-JSGCOSHPSA-N 0 3 323.462 2.339 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H](O)C1 ZINC001090790238 790539721 /nfs/dbraw/zinc/53/97/21/790539721.db2.gz LRVCWNNSCOQKLM-IRXDYDNUSA-N 0 3 316.445 2.353 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)CN(CC)CC)C1 ZINC001111908335 777556489 /nfs/dbraw/zinc/55/64/89/777556489.db2.gz UGSPUUVLZVWSMR-HOCLYGCPSA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3oc(C)nc3C)C(C)(C)[C@H]21 ZINC001087279020 777703686 /nfs/dbraw/zinc/70/36/86/777703686.db2.gz QDJFKTOSGDTSOX-BMFZPTHFSA-N 0 3 315.417 2.143 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(OC)no3)C(C)(C)[C@H]21 ZINC001087281929 777713965 /nfs/dbraw/zinc/71/39/65/777713965.db2.gz OKPUMCJVLBQDIV-UGFHNGPFSA-N 0 3 319.405 2.088 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccco3)C(C)(C)[C@H]21 ZINC001087309631 777766387 /nfs/dbraw/zinc/76/63/87/777766387.db2.gz JVSDESBJNBTYCY-OIISXLGYSA-N 0 3 300.402 2.061 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1nc(C)oc1C ZINC001087309696 777767780 /nfs/dbraw/zinc/76/77/80/777767780.db2.gz KNWFZGFYVXYAHO-VNQPRFMTSA-N 0 3 315.417 2.143 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccc[nH]3)C(C)(C)[C@H]21 ZINC001087319961 777783550 /nfs/dbraw/zinc/78/35/50/777783550.db2.gz WZWOKPTUYQSWLY-NXHRZFHOSA-N 0 3 313.445 2.186 20 30 DEEDHN CSc1nc(C)c(C#N)c(-n2nc(CN)c3ccccc32)n1 ZINC001167694997 777862420 /nfs/dbraw/zinc/86/24/20/777862420.db2.gz ATULEIREMJXPTA-UHFFFAOYSA-N 0 3 310.386 2.176 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001090828552 790578897 /nfs/dbraw/zinc/57/88/97/790578897.db2.gz RDNGKKIXBZSIDX-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C[C@@H](C)C3CC3)[C@H]2C1 ZINC001083285519 778092692 /nfs/dbraw/zinc/09/26/92/778092692.db2.gz UFALPGMITADMJX-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1C(F)(F)F ZINC001112038679 778115347 /nfs/dbraw/zinc/11/53/47/778115347.db2.gz LWTMHJBXMWDKCO-CHWSQXEVSA-N 0 3 320.355 2.134 20 30 DEEDHN C=CCC[C@H](C)NCc1cn([C@@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615161 778278876 /nfs/dbraw/zinc/27/88/76/778278876.db2.gz LQBXSBBAVVCTPJ-GOEBONIOSA-N 0 3 319.453 2.152 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001105090499 778335471 /nfs/dbraw/zinc/33/54/71/778335471.db2.gz XMXRSRQLEZNNFZ-BPLDGKMQSA-N 0 3 314.857 2.404 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090862475 790613197 /nfs/dbraw/zinc/61/31/97/790613197.db2.gz HOLMNLZFPVZZPY-ZWKOTPCHSA-N 0 3 314.429 2.259 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Cc1c(C)noc1C ZINC001167774216 778490875 /nfs/dbraw/zinc/49/08/75/778490875.db2.gz YYMRPHDWSFYGJP-SNVBAGLBSA-N 0 3 313.829 2.318 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090872047 790631016 /nfs/dbraw/zinc/63/10/16/790631016.db2.gz CDOBUSAEMSHNLJ-DLBZAZTESA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090884296 790638597 /nfs/dbraw/zinc/63/85/97/790638597.db2.gz JCJDIDISYBYYLL-DLBZAZTESA-N 0 3 314.429 2.259 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001073421112 790646406 /nfs/dbraw/zinc/64/64/06/790646406.db2.gz OYZMWKDAYLLWCK-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccn4cncc4c3)C2)C1 ZINC000981874326 778725095 /nfs/dbraw/zinc/72/50/95/778725095.db2.gz GZJGTJUALGUWHJ-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001114956101 778748674 /nfs/dbraw/zinc/74/86/74/778748674.db2.gz BIAUAEALPPTEHN-XDNAFOTISA-N 0 3 314.429 2.385 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100373503 778757926 /nfs/dbraw/zinc/75/79/26/778757926.db2.gz AHIWKFKEOXWDCT-UHFFFAOYSA-N 0 3 308.451 2.187 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1cc(C(=O)OC)co1 ZINC001139869790 778799446 /nfs/dbraw/zinc/79/94/46/778799446.db2.gz TZXDCXPURRZBDL-FPLPWBNLSA-N 0 3 320.389 2.046 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211783728 778852402 /nfs/dbraw/zinc/85/24/02/778852402.db2.gz BKICUPGNGUPASJ-HZPDHXFCSA-N 0 3 306.381 2.221 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C(F)(F)F ZINC001112130917 779011689 /nfs/dbraw/zinc/01/16/89/779011689.db2.gz ADYRWKQDHYRQJQ-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN CCc1occc1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001126508921 779243964 /nfs/dbraw/zinc/24/39/64/779243964.db2.gz TXKLQFUNGLMJRJ-UHFFFAOYSA-N 0 3 315.348 2.372 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](OC)C3CCCCC3)C2)C1 ZINC001073499200 790694220 /nfs/dbraw/zinc/69/42/20/790694220.db2.gz FXECXRAWBBZYTD-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1CC ZINC001087599929 779372915 /nfs/dbraw/zinc/37/29/15/779372915.db2.gz CWXREZKEIIJONS-LSDHHAIUSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)[C@H]1CC ZINC001087658143 779399456 /nfs/dbraw/zinc/39/94/56/779399456.db2.gz NWYXOGFFRJPLGX-DOTOQJQBSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C2(c3cc(C)no3)CC2)[C@H]1CC ZINC001087699313 779415016 /nfs/dbraw/zinc/41/50/16/779415016.db2.gz MBLCAYFKZKVFQF-UONOGXRCSA-N 0 3 303.406 2.170 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)[C@H]1CC ZINC001087834147 779475714 /nfs/dbraw/zinc/47/57/14/779475714.db2.gz NUUXBBAVXIFWKA-ARFHVFGLSA-N 0 3 318.392 2.284 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C1 ZINC001087869812 779500617 /nfs/dbraw/zinc/50/06/17/779500617.db2.gz IFSYNIJGAGYXAA-CABCVRRESA-N 0 3 300.377 2.243 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001073521060 790709396 /nfs/dbraw/zinc/70/93/96/790709396.db2.gz JTCUBTXSBYYMSX-QGZVFWFLSA-N 0 3 302.418 2.392 20 30 DEEDHN Cc1cncc(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c1 ZINC001087962467 779574896 /nfs/dbraw/zinc/57/48/96/779574896.db2.gz RUEPPKCPVQPVKD-MOPGFXCFSA-N 0 3 323.440 2.084 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(F)c3)C[C@@H]2C1 ZINC001088032606 779646830 /nfs/dbraw/zinc/64/68/30/779646830.db2.gz WEMWFPHZPHODFZ-CVEARBPZSA-N 0 3 300.377 2.161 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@@H]2C1 ZINC001088037988 779649195 /nfs/dbraw/zinc/64/91/95/779649195.db2.gz QWQRBZCPVQQVQT-YYIAUSFCSA-N 0 3 302.462 2.472 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)n(C(F)F)n3)[C@@H]2C1 ZINC001075836578 779687942 /nfs/dbraw/zinc/68/79/42/779687942.db2.gz UTZGFSWZCXNPRS-GXTWGEPZSA-N 0 3 324.375 2.309 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)C[C@@H]2C1 ZINC001088096538 779698519 /nfs/dbraw/zinc/69/85/19/779698519.db2.gz UCSMNCSMZZPSHI-OLZOCXBDSA-N 0 3 305.809 2.085 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001088133198 779719963 /nfs/dbraw/zinc/71/99/63/779719963.db2.gz WJFHNMXSPGNORE-BBWFWOEESA-N 0 3 314.429 2.495 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3sc(CC)nc3C)C[C@@H]2C1 ZINC001088138620 779722424 /nfs/dbraw/zinc/72/24/24/779722424.db2.gz UDQPNZHPGBOMFC-KGLIPLIRSA-N 0 3 317.458 2.041 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3coc4ccccc34)C[C@@H]2C1 ZINC001088152245 779731445 /nfs/dbraw/zinc/73/14/45/779731445.db2.gz UFWNLPHEQLFQBT-WBVHZDCISA-N 0 3 322.408 2.389 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001088239735 779804078 /nfs/dbraw/zinc/80/40/78/779804078.db2.gz FHWVUJMJDCHFQJ-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN N#Cc1cncc(CN2CC3(C2)CCN(Cc2cccnc2)C3)c1 ZINC001144075373 790743907 /nfs/dbraw/zinc/74/39/07/790743907.db2.gz PFHPCHLQCNQMIO-UHFFFAOYSA-N 0 3 319.412 2.056 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@H](NCc2ccns2)C1 ZINC001088281192 779902186 /nfs/dbraw/zinc/90/21/86/779902186.db2.gz IZZJPEAIUKBHCA-OLZOCXBDSA-N 0 3 306.435 2.164 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NCc2ccc(F)cn2)C1 ZINC001088281388 779903143 /nfs/dbraw/zinc/90/31/43/779903143.db2.gz MEALFTUDMWCNQH-XJKSGUPXSA-N 0 3 318.396 2.241 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCc2ccnn2C)C1 ZINC001088360393 780027564 /nfs/dbraw/zinc/02/75/64/780027564.db2.gz XWEKGKTZIIONFS-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C2=CCCC2)C1 ZINC001090981879 790756481 /nfs/dbraw/zinc/75/64/81/790756481.db2.gz KZWACVUFEASRLS-UHFFFAOYSA-N 0 3 313.239 2.490 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccncc2CC)C1 ZINC001073670604 790780726 /nfs/dbraw/zinc/78/07/26/790780726.db2.gz JPFAODJFDBZWNH-MRXNPFEDSA-N 0 3 317.433 2.041 20 30 DEEDHN CN1c2ccccc2[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001144160312 790782339 /nfs/dbraw/zinc/78/23/39/790782339.db2.gz DHYNVNMKMDUKAI-LJQANCHMSA-N 0 3 318.380 2.073 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2csc([C@H](C)OC)n2)[C@H]1C ZINC001088566497 780491564 /nfs/dbraw/zinc/49/15/64/780491564.db2.gz QMEGWAOXVINOJV-AGIUHOORSA-N 0 3 321.446 2.066 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001073706143 790805251 /nfs/dbraw/zinc/80/52/51/790805251.db2.gz JMTMVYJTHHAWOF-INIZCTEOSA-N 0 3 317.433 2.095 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)Cc2ccon2)[C@H](OC)C1 ZINC001212067416 780603909 /nfs/dbraw/zinc/60/39/09/780603909.db2.gz WZHSGMIITNMGBR-HZPDHXFCSA-N 0 3 323.437 2.003 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@H]1C ZINC001088718213 780906970 /nfs/dbraw/zinc/90/69/70/780906970.db2.gz XXIMYALASFKEMA-PBHICJAKSA-N 0 3 307.397 2.451 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2COc3ccccc3C2)[C@H]1C ZINC001088723624 780917080 /nfs/dbraw/zinc/91/70/80/780917080.db2.gz MDUJNUKBBCZFNV-OIISXLGYSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3onc(C)c3c2)[C@H]1C ZINC001088784541 780982316 /nfs/dbraw/zinc/98/23/16/780982316.db2.gz FBUZHGLNEJPKQC-DOMZBBRYSA-N 0 3 314.389 2.300 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H](OC)C1 ZINC001212122867 781036823 /nfs/dbraw/zinc/03/68/23/781036823.db2.gz UFPRONCYLVFJNV-GDBMZVCRSA-N 0 3 306.406 2.292 20 30 DEEDHN COc1ccc(CNCCNC(=O)C#CC(C)(C)C)cc1F ZINC001126893361 781043548 /nfs/dbraw/zinc/04/35/48/781043548.db2.gz MDHCIHZVIKMRLB-UHFFFAOYSA-N 0 3 306.381 2.090 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)[C@H]1C ZINC001088819823 781052752 /nfs/dbraw/zinc/05/27/52/781052752.db2.gz RWTAPUMHRFHFFC-DQYPLSBCSA-N 0 3 300.377 2.068 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)[C@@H]2C1 ZINC001076030880 781085229 /nfs/dbraw/zinc/08/52/29/781085229.db2.gz BIKYTSCCIQSLLJ-WNRNVDISSA-N 0 3 318.461 2.158 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ncc4ccccn43)[C@@H]2C1 ZINC001076038044 781087887 /nfs/dbraw/zinc/08/78/87/781087887.db2.gz YSUUAAXGMHRMSZ-GOEBONIOSA-N 0 3 310.401 2.057 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001076290558 781202112 /nfs/dbraw/zinc/20/21/12/781202112.db2.gz XTGJCINVKMPOLA-WMLDXEAASA-N 0 3 300.377 2.304 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1c[nH]cc1C)C[C@@H](C)O2 ZINC001098663031 781222425 /nfs/dbraw/zinc/22/24/25/781222425.db2.gz UJRJBWYEMKUVPQ-OAHLLOKOSA-N 0 3 317.433 2.205 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3oc(C4CC4)nc3C)[C@@H]2C1 ZINC001076339855 781226108 /nfs/dbraw/zinc/22/61/08/781226108.db2.gz KBFVXTALMGDQAG-LSDHHAIUSA-N 0 3 313.401 2.030 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001076359811 781235593 /nfs/dbraw/zinc/23/55/93/781235593.db2.gz UXNDVSMJZFWCIC-SWLSCSKDSA-N 0 3 305.809 2.457 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)[C@@H]2C1 ZINC001076370506 781236507 /nfs/dbraw/zinc/23/65/07/781236507.db2.gz ZZYOLLLDEYYUSD-FUHWJXTLSA-N 0 3 324.428 2.145 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4nccn4c3)[C@@H]2C1 ZINC001076449708 781269772 /nfs/dbraw/zinc/26/97/72/781269772.db2.gz SWHIVUQQFMFTGP-GOEBONIOSA-N 0 3 310.401 2.057 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001076546872 781308807 /nfs/dbraw/zinc/30/88/07/781308807.db2.gz XHHFXAAQLYBFJB-MAUKXSAKSA-N 0 3 307.397 2.338 20 30 DEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3nc(C)c(C)s3)[C@@H]2C1 ZINC001076586015 781321072 /nfs/dbraw/zinc/32/10/72/781321072.db2.gz CMKHLUHMTUGMNP-UONOGXRCSA-N 0 3 305.447 2.482 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@H](F)C2)ccc1F ZINC001126961419 781500395 /nfs/dbraw/zinc/50/03/95/781500395.db2.gz WGJRPXNNCZSNHJ-HIFRSBDPSA-N 0 3 321.371 2.431 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1OC ZINC001212146083 781745009 /nfs/dbraw/zinc/74/50/09/781745009.db2.gz IYXUUHNMNRYJNM-KIUVSXKZSA-N 0 3 306.450 2.352 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1 ZINC001212166101 781807735 /nfs/dbraw/zinc/80/77/35/781807735.db2.gz RYHVGRHOGPIRPZ-DAXOMENPSA-N 0 3 306.406 2.372 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)COC3)C[C@H]1C ZINC000947797046 783234588 /nfs/dbraw/zinc/23/45/88/783234588.db2.gz WUSSHTAIPLUHKZ-CXAGYDPISA-N 0 3 300.402 2.486 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C[C@@H]1C ZINC000947825835 783241302 /nfs/dbraw/zinc/24/13/02/783241302.db2.gz YKAWENORCLIXMM-WMLDXEAASA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(OC)c2F)C[C@H]1C ZINC000947845338 783245441 /nfs/dbraw/zinc/24/54/41/783245441.db2.gz IQRPSVUYJURIQM-KGLIPLIRSA-N 0 3 318.392 2.440 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001060747564 783246304 /nfs/dbraw/zinc/24/63/04/783246304.db2.gz XSCYLIQAXFXOFX-WKILWMFISA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C[C@@H]1C ZINC000947851980 783246921 /nfs/dbraw/zinc/24/69/21/783246921.db2.gz DBGTYLFGRXTXPY-DZGCQCFKSA-N 0 3 304.438 2.370 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnoc2C(C)C)C[C@@H]1C ZINC000947886870 783257571 /nfs/dbraw/zinc/25/75/71/783257571.db2.gz OLWZZVJMKFHJQF-UONOGXRCSA-N 0 3 303.406 2.404 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C[C@H]1C ZINC000947895597 783262200 /nfs/dbraw/zinc/26/22/00/783262200.db2.gz PAEUSPCVINHEIK-UKRRQHHQSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001089605507 783269960 /nfs/dbraw/zinc/26/99/60/783269960.db2.gz OJBSLBCOKRSJPZ-MRXNPFEDSA-N 0 3 317.433 2.117 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)C[C@@H]1C ZINC000947925031 783271510 /nfs/dbraw/zinc/27/15/10/783271510.db2.gz INZLDBNRJMCLAY-RDJZCZTQSA-N 0 3 309.413 2.464 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)C[C@@H]1C ZINC000947949367 783275090 /nfs/dbraw/zinc/27/50/90/783275090.db2.gz USJFBIOYWULMDF-KBPBESRZSA-N 0 3 312.417 2.342 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2OC)C[C@@H]1C ZINC000947963795 783278994 /nfs/dbraw/zinc/27/89/94/783278994.db2.gz YUDYKXOTMUDIJN-GJZGRUSLSA-N 0 3 300.402 2.301 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2OC)C[C@H]1C ZINC000947963794 783279066 /nfs/dbraw/zinc/27/90/66/783279066.db2.gz YUDYKXOTMUDIJN-CABCVRRESA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C)nc2C2CC2)C[C@H]1C ZINC000947988778 783286160 /nfs/dbraw/zinc/28/61/60/783286160.db2.gz DJFPOAIBULMKKI-DOMZBBRYSA-N 0 3 314.433 2.431 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OCC)cc2)C[C@H]1C ZINC000947986577 783286212 /nfs/dbraw/zinc/28/62/12/783286212.db2.gz YSGYWRPTDUBNDQ-GDBMZVCRSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001089627669 783293300 /nfs/dbraw/zinc/29/33/00/783293300.db2.gz ARHLFIUVXGAHBG-OAHLLOKOSA-N 0 3 300.406 2.293 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C[C@@H]1C ZINC000948017672 783294070 /nfs/dbraw/zinc/29/40/70/783294070.db2.gz WLODUCLGONONDS-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)C)C[C@H]1C ZINC000948030680 783298308 /nfs/dbraw/zinc/29/83/08/783298308.db2.gz HWJKORBNRJDBMY-CABCVRRESA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3cnccc32)C[C@H]1C ZINC000948053466 783305130 /nfs/dbraw/zinc/30/51/30/783305130.db2.gz QVVGNMTZPOABRV-GDBMZVCRSA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC001089634291 783305475 /nfs/dbraw/zinc/30/54/75/783305475.db2.gz UIQPFQXSQUUGLL-INIZCTEOSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc(CC)s2)C[C@@H]1C ZINC000948083529 783314225 /nfs/dbraw/zinc/31/42/25/783314225.db2.gz VKRVCLAAVRJZTJ-STQMWFEESA-N 0 3 305.447 2.312 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001073871747 790931434 /nfs/dbraw/zinc/93/14/34/790931434.db2.gz LESOFCVSVCRCQV-KRWDZBQOSA-N 0 3 314.429 2.147 20 30 DEEDHN C=CCCOCCCCC(=O)N[C@@H]1CN(CCC=C)C[C@H]1OC ZINC001212267792 783322324 /nfs/dbraw/zinc/32/23/24/783322324.db2.gz CAMKFTSOBLTCNS-IAGOWNOFSA-N 0 3 324.465 2.141 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001089691608 783357827 /nfs/dbraw/zinc/35/78/27/783357827.db2.gz TUZJQGKFWNBLIT-LBPRGKRZSA-N 0 3 308.401 2.345 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001089725909 783390118 /nfs/dbraw/zinc/39/01/18/783390118.db2.gz HXUIUPXNGIIKSW-AWEZNQCLSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2conc2C(C)C)CC1 ZINC000948435598 783463490 /nfs/dbraw/zinc/46/34/90/783463490.db2.gz NAUFWRBIYXBPNR-AWEZNQCLSA-N 0 3 303.406 2.358 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccsc2COC)CC1 ZINC000948553590 783498756 /nfs/dbraw/zinc/49/87/56/783498756.db2.gz IWOHIYJRWAQQRU-CQSZACIVSA-N 0 3 320.458 2.454 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccnc(OC)c2)CC1 ZINC000948574295 783508744 /nfs/dbraw/zinc/50/87/44/783508744.db2.gz DIFXMNBCJLFWHF-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC000966100011 783562018 /nfs/dbraw/zinc/56/20/18/783562018.db2.gz FZGSAVUGZQYDME-RHSMWYFYSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cnn1C ZINC001085301511 783628045 /nfs/dbraw/zinc/62/80/45/783628045.db2.gz UBUUMNDLSTUJKJ-CHWSQXEVSA-N 0 3 310.829 2.112 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001066245403 783657615 /nfs/dbraw/zinc/65/76/15/783657615.db2.gz HOAIOMLKNGJNNK-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC000966461080 783666006 /nfs/dbraw/zinc/66/60/06/783666006.db2.gz WVJAZDFQJHMYGG-SMDDNHRTSA-N 0 3 324.375 2.050 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC000966461071 783666243 /nfs/dbraw/zinc/66/62/43/783666243.db2.gz WVJAZDFQJHMYGG-RISCZKNCSA-N 0 3 324.375 2.050 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnn(CC)c1 ZINC001085390209 783666292 /nfs/dbraw/zinc/66/62/92/783666292.db2.gz RCQMQSHBMYZTJH-HUUCEWRRSA-N 0 3 324.856 2.215 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722314 783741910 /nfs/dbraw/zinc/74/19/10/783741910.db2.gz LOLJEGOVFMBTJV-MLGOLLRUSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966916464 783819894 /nfs/dbraw/zinc/81/98/94/783819894.db2.gz SSVRMPVMKFZURU-SUMWQHHRSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnc(CC(C)C)[nH]1 ZINC001085595564 783863664 /nfs/dbraw/zinc/86/36/64/783863664.db2.gz IGPPJZPTJAPSSE-AWEZNQCLSA-N 0 3 304.438 2.331 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC000967063520 783874578 /nfs/dbraw/zinc/87/45/78/783874578.db2.gz RUQIWNXSWOQDDJ-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967121522 783889268 /nfs/dbraw/zinc/88/92/68/783889268.db2.gz NNSBOFPWYWTPLA-GDBMZVCRSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967121526 783889569 /nfs/dbraw/zinc/88/95/69/783889569.db2.gz NNSBOFPWYWTPLA-ZBFHGGJFSA-N 0 3 316.449 2.164 20 30 DEEDHN CC[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000967255381 783911048 /nfs/dbraw/zinc/91/10/48/783911048.db2.gz FZIUTPSLWVRERG-IUODEOHRSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nccc2cccnc21 ZINC001085646930 783920529 /nfs/dbraw/zinc/92/05/29/783920529.db2.gz WBHGXKLVIFPESH-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967289559 783935172 /nfs/dbraw/zinc/93/51/72/783935172.db2.gz WUUWTZJHANJZDA-WFASDCNBSA-N 0 3 318.417 2.273 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)ncn2C ZINC001085678221 783956589 /nfs/dbraw/zinc/95/65/89/783956589.db2.gz DMYIRVYOUZWERS-HNNXBMFYSA-N 0 3 312.417 2.296 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)ncn2C ZINC001085678222 783956825 /nfs/dbraw/zinc/95/68/25/783956825.db2.gz DMYIRVYOUZWERS-OAHLLOKOSA-N 0 3 312.417 2.296 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085673655 783956962 /nfs/dbraw/zinc/95/69/62/783956962.db2.gz 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ZINC001085707898 783989104 /nfs/dbraw/zinc/98/91/04/783989104.db2.gz WAOBMMLQYCBZLO-DOTOQJQBSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccnc3ccncc32)C1 ZINC000967423624 783994735 /nfs/dbraw/zinc/99/47/35/783994735.db2.gz HMHIPQRCEKHADO-KDOFPFPSSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCOC2 ZINC001085717906 784002795 /nfs/dbraw/zinc/00/27/95/784002795.db2.gz BAOACAFQIWAZLC-SFHVURJKSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001091185735 790992784 /nfs/dbraw/zinc/99/27/84/790992784.db2.gz MNWVLHKNMGBWQT-CJIVVXGISA-N 0 3 301.228 2.035 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCF)CC[C@@H]2C)cc1 ZINC000967677759 784090092 /nfs/dbraw/zinc/09/00/92/784090092.db2.gz MVJWLESCJFGVRT-WMLDXEAASA-N 0 3 302.393 2.468 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001085850217 784140711 /nfs/dbraw/zinc/14/07/11/784140711.db2.gz QWJAASYKEZUENK-WBVHZDCISA-N 0 3 318.392 2.238 20 30 DEEDHN 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C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cncc(OC)n1 ZINC001135357618 789298100 /nfs/dbraw/zinc/29/81/00/789298100.db2.gz FTQNORUWFUXHQI-KBPBESRZSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070496444 789351083 /nfs/dbraw/zinc/35/10/83/789351083.db2.gz HVJUPPCDTZROIV-GOEBONIOSA-N 0 3 318.465 2.172 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001071029129 789501801 /nfs/dbraw/zinc/50/18/01/789501801.db2.gz JANBKHSAMNWHSR-CABCVRRESA-N 0 3 312.841 2.135 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)C)C[C@H](C)O2 ZINC001071138949 789552832 /nfs/dbraw/zinc/55/28/32/789552832.db2.gz MSEGUIHQFQFXBR-MAUKXSAKSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C=C1CCC1)C[C@H](C)O2 ZINC001071145896 789557677 /nfs/dbraw/zinc/55/76/77/789557677.db2.gz CTOZSDVJESWPBX-YJBOKZPZSA-N 0 3 304.434 2.365 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1=CCCC1)C[C@@H](C)O2 ZINC001071156913 789563834 /nfs/dbraw/zinc/56/38/34/789563834.db2.gz 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DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)C(F)(F)F)C[C@]2(C)C1 ZINC001101348682 793131212 /nfs/dbraw/zinc/13/12/12/793131212.db2.gz DQBKHNDIUQOXKQ-GUTXKFCHSA-N 0 3 316.367 2.379 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC001101786457 793376178 /nfs/dbraw/zinc/37/61/78/793376178.db2.gz SOGSIMHSXYSFEV-SJLPKXTDSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001101892108 793429316 /nfs/dbraw/zinc/42/93/16/793429316.db2.gz KMFGNKTYPWGRNJ-IAGOWNOFSA-N 0 3 313.445 2.459 20 30 DEEDHN CC(C)N(C)C(=O)C1=NO[C@@]2(CCN([C@@H](C)CCCC#N)C2)C1 ZINC001172495773 793437428 /nfs/dbraw/zinc/43/74/28/793437428.db2.gz UWQLVCQHSGXHEF-YOEHRIQHSA-N 0 3 320.437 2.156 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1C ZINC001102011636 793477415 /nfs/dbraw/zinc/47/74/15/793477415.db2.gz JTFNCTJRXQTQSA-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2nccnc2C)C[C@H]1C ZINC001102230000 793538249 /nfs/dbraw/zinc/53/82/49/793538249.db2.gz NOESWHJELMGYPI-UKRRQHHQSA-N 0 3 316.449 2.181 20 30 DEEDHN N#CC1(CNC2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001172995579 793563123 /nfs/dbraw/zinc/56/31/23/793563123.db2.gz MUZYWBRQAZWIOM-UHFFFAOYSA-N 0 3 301.365 2.324 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102328242 793575136 /nfs/dbraw/zinc/57/51/36/793575136.db2.gz BDISFBBMHQLQPT-QGPMSJSTSA-N 0 3 318.465 2.207 20 30 DEEDHN COc1cccc2c1C[C@@H](N1CCC3SC(=O)C=C3C1)CO2 ZINC001173155484 793609944 /nfs/dbraw/zinc/60/99/44/793609944.db2.gz UISAZVYRVLMUTL-MLGOLLRUSA-N 0 3 317.410 2.273 20 30 DEEDHN C=CCOC1CCC(N2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC001173326320 793678999 /nfs/dbraw/zinc/67/89/99/793678999.db2.gz YLDQNZOYHLCDKP-UHFFFAOYSA-N 0 3 306.406 2.279 20 30 DEEDHN COc1cnc(N2CCN(C3CCC(CC#N)CC3)CC2)nc1 ZINC001173341509 793683202 /nfs/dbraw/zinc/68/32/02/793683202.db2.gz YCZVAVZXIFKKSK-UHFFFAOYSA-N 0 3 315.421 2.080 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnc(C)cn2)C1 ZINC001102646111 793690511 /nfs/dbraw/zinc/69/05/11/793690511.db2.gz WOGACDJRWFFESW-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1C ZINC001102762866 793747415 /nfs/dbraw/zinc/74/74/15/793747415.db2.gz WJAVBOPPFSFARF-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)OC(C)(C)C)[C@@](CC)(C(=O)OC)C1 ZINC001173519291 793757813 /nfs/dbraw/zinc/75/78/13/793757813.db2.gz MHXDNHKSOPYWHO-MLGOLLRUSA-N 0 3 312.410 2.093 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]nc2CC)C1 ZINC001103176031 793970980 /nfs/dbraw/zinc/97/09/80/793970980.db2.gz XRXDTGVNNDGYRE-DGCLKSJQSA-N 0 3 324.856 2.412 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1nccn1C ZINC001174693917 794059176 /nfs/dbraw/zinc/05/91/76/794059176.db2.gz FIFGFEZIJRFFII-CQSZACIVSA-N 0 3 306.454 2.397 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001103691082 794192016 /nfs/dbraw/zinc/19/20/16/794192016.db2.gz PCNBCDJAZLMVMU-BXUZGUMPSA-N 0 3 323.824 2.228 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103768931 794218191 /nfs/dbraw/zinc/21/81/91/794218191.db2.gz HNIDZLJYHGNHHT-BPLDGKMQSA-N 0 3 314.857 2.404 20 30 DEEDHN CCN1CCN(c2ccc(Nc3ncn(C)c3C#N)cc2)CC1 ZINC001175782223 794286704 /nfs/dbraw/zinc/28/67/04/794286704.db2.gz PVQRFLTYEHHVPF-UHFFFAOYSA-N 0 3 310.405 2.177 20 30 DEEDHN Cc1cnc(CNCC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)s1 ZINC001104005265 794342206 /nfs/dbraw/zinc/34/22/06/794342206.db2.gz YAVTWDFVYLKPFT-OUCADQQQSA-N 0 3 320.462 2.185 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C ZINC001104010374 794345430 /nfs/dbraw/zinc/34/54/30/794345430.db2.gz RTWXKEOTFPWGKQ-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN CCn1cccc1C(=O)NCCCNCc1ccccc1C#N ZINC001176194906 794372249 /nfs/dbraw/zinc/37/22/49/794372249.db2.gz UOUHZBUYWISXSC-UHFFFAOYSA-N 0 3 310.401 2.289 20 30 DEEDHN Cc1nocc1CNCC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001104163307 794404287 /nfs/dbraw/zinc/40/42/87/794404287.db2.gz 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C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001180269830 795268089 /nfs/dbraw/zinc/26/80/89/795268089.db2.gz ZEXDZKDNJKFUER-XHSDSOJGSA-N 0 3 317.433 2.060 20 30 DEEDHN C=CCn1c(C2CC2)nn(CN2CCN(C)C(C)(C)C2)c1=S ZINC001119388792 795295704 /nfs/dbraw/zinc/29/57/04/795295704.db2.gz DDSOKUARSYPXBS-UHFFFAOYSA-N 0 3 321.494 2.461 20 30 DEEDHN CC(=O)CCCC(=O)N1CC[C@@H](NCc2cccc(C#N)c2)C1 ZINC001180968257 795399623 /nfs/dbraw/zinc/39/96/23/795399623.db2.gz ZPXQNQVWRCHDJK-QGZVFWFLSA-N 0 3 313.401 2.008 20 30 DEEDHN CCO[C@@H](CC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181403753 795471711 /nfs/dbraw/zinc/47/17/11/795471711.db2.gz BLPDCWYQYKVOIS-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(CC(N)=O)CC1 ZINC001120549575 795482530 /nfs/dbraw/zinc/48/25/30/795482530.db2.gz JQVMLLJVOIKOAZ-HNNXBMFYSA-N 0 3 311.470 2.178 20 30 DEEDHN CSC[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181662005 795515266 /nfs/dbraw/zinc/51/52/66/795515266.db2.gz 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/nfs/dbraw/zinc/79/09/17/795790917.db2.gz KHXOSRBTLJSKPW-XHSDSOJGSA-N 0 3 322.449 2.123 20 30 DEEDHN C=C(CN1CCCC1)C(=O)n1c(=N)sc2cc(N)cc(C)c21 ZINC001183075848 795795700 /nfs/dbraw/zinc/79/57/00/795795700.db2.gz GTWAMHFUDGDFJY-UHFFFAOYSA-N 0 3 316.430 2.365 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)C1CCCCC1 ZINC001122814189 795807853 /nfs/dbraw/zinc/80/78/53/795807853.db2.gz RYTGMLNGLBWERW-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(Cl)c[nH]2)cc1 ZINC001123466635 795918094 /nfs/dbraw/zinc/91/80/94/795918094.db2.gz KUDOQIUXJUQDLO-UHFFFAOYSA-N 0 3 302.765 2.059 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2ccc(OCC)cc2)C1 ZINC001183876538 795948106 /nfs/dbraw/zinc/94/81/06/795948106.db2.gz FTAQEXBTOXLRDJ-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001184321726 796041054 /nfs/dbraw/zinc/04/10/54/796041054.db2.gz TXYXNDLKWZGHCB-QGZVFWFLSA-N 0 3 309.413 2.314 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccc(F)nc2)CC1 ZINC001137743817 796134249 /nfs/dbraw/zinc/13/42/49/796134249.db2.gz AFKSEBRNGXWENN-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN CCCCCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001185082647 796185740 /nfs/dbraw/zinc/18/57/40/796185740.db2.gz BRUVRAUXKWHFFE-CQSZACIVSA-N 0 3 320.437 2.265 20 30 DEEDHN OC[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C[C@H]1O ZINC001138335348 796198559 /nfs/dbraw/zinc/19/85/59/796198559.db2.gz NUIJWTOCHJBKPV-LEWJYISDSA-N 0 3 321.420 2.262 20 30 DEEDHN C#CCOc1ccc(CN2C[C@@H](CO)CC[C@@H]2C)cc1OC ZINC001138342759 796200501 /nfs/dbraw/zinc/20/05/01/796200501.db2.gz CXUYUVLLILXKHZ-HOCLYGCPSA-N 0 3 303.402 2.300 20 30 DEEDHN C#CCOc1ccc(CN2C[C@H](CO)CC[C@H]2C)cc1OC ZINC001138342757 796200809 /nfs/dbraw/zinc/20/08/09/796200809.db2.gz CXUYUVLLILXKHZ-GDBMZVCRSA-N 0 3 303.402 2.300 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@H](CNCC#N)[C@H](C)C1 ZINC001185316151 796234933 /nfs/dbraw/zinc/23/49/33/796234933.db2.gz CHDUVZKVVXOVQJ-IAGOWNOFSA-N 0 3 322.497 2.096 20 30 DEEDHN C#CCOc1ccc(CN2CCc3ncnc(OC)c3CC2)cc1 ZINC001138557674 796235450 /nfs/dbraw/zinc/23/54/50/796235450.db2.gz FBTPAOWHBBINRB-UHFFFAOYSA-N 0 3 323.396 2.098 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202846289 796242424 /nfs/dbraw/zinc/24/24/24/796242424.db2.gz JIFPKFUFXLASQW-LSDHHAIUSA-N 0 3 317.458 2.464 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2conc2C)C12CCC2 ZINC001202846535 796242547 /nfs/dbraw/zinc/24/25/47/796242547.db2.gz LOMWFUBADCYCCH-HOTGVXAUSA-N 0 3 315.417 2.304 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001185343192 796243452 /nfs/dbraw/zinc/24/34/52/796243452.db2.gz GCCMPOSXGPEQPN-OAHLLOKOSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCc1cccc(CN2CCN([C@@H]3CCOC3)CC2)c1O ZINC001138625218 796245852 /nfs/dbraw/zinc/24/58/52/796245852.db2.gz HNARZISYTYWQSJ-QGZVFWFLSA-N 0 3 302.418 2.027 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@@H](NCc3cnc(C)nc3)C2)CC1 ZINC001185487034 796270270 /nfs/dbraw/zinc/27/02/70/796270270.db2.gz PUQXZRJFGUBOOA-MRXNPFEDSA-N 0 3 314.433 2.222 20 30 DEEDHN N#Cc1cccc2c(CN3CCC4(CNC(=O)O4)CC3)c[nH]c21 ZINC001139706081 796413540 /nfs/dbraw/zinc/41/35/40/796413540.db2.gz KPZITIXKFKKUJY-UHFFFAOYSA-N 0 3 310.357 2.114 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001186679371 796435408 /nfs/dbraw/zinc/43/54/08/796435408.db2.gz KANVSLHFZBAYJH-MRXNPFEDSA-N 0 3 312.413 2.400 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cccnn1)CC2 ZINC001139971966 796453198 /nfs/dbraw/zinc/45/31/98/796453198.db2.gz HBUFENYHOFYWLW-QGZVFWFLSA-N 0 3 300.406 2.010 20 30 DEEDHN CC[C@@H]1N(Cc2ccc(C#N)nc2)CCC[C@]12CCC(=O)N2C ZINC001140543460 796537772 /nfs/dbraw/zinc/53/77/72/796537772.db2.gz OUAOREAXHSATHR-WMZOPIPTSA-N 0 3 312.417 2.319 20 30 DEEDHN CC(C)(O)CCN1CCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140603905 796543376 /nfs/dbraw/zinc/54/33/76/796543376.db2.gz IITLWBUGCVTFCL-UHFFFAOYSA-N 0 3 321.852 2.490 20 30 DEEDHN CNc1nc(SC)ncc1CN1CCC2SC(=O)C=C2C1 ZINC001140837538 796580798 /nfs/dbraw/zinc/58/07/98/796580798.db2.gz QVYYPJMNTTZZST-NSHDSACASA-N 0 3 322.459 2.014 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H]3CN(CC=C)C[C@H]32)cc1 ZINC001187848658 796588275 /nfs/dbraw/zinc/58/82/75/796588275.db2.gz DFZIYCUZOUPPCN-PKOBYXMFSA-N 0 3 324.424 2.421 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001187989393 796610869 /nfs/dbraw/zinc/61/08/69/796610869.db2.gz XMIZSMINQTUPPM-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001188204585 796643394 /nfs/dbraw/zinc/64/33/94/796643394.db2.gz YONAOQHLASHJHP-QHGAOEGBSA-N 0 3 308.425 2.322 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000838624444 796672110 /nfs/dbraw/zinc/67/21/10/796672110.db2.gz ZBYHOFYJYKLCBP-UHFFFAOYSA-N 0 3 303.406 2.217 20 30 DEEDHN C[C@H](Oc1ccccc1)C(=O)NCCNCc1cccc(C#N)c1 ZINC001149777472 796893636 /nfs/dbraw/zinc/89/36/36/796893636.db2.gz AOYNVTNSXTZFOJ-HNNXBMFYSA-N 0 3 323.396 2.232 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(C)(C)CC(F)F)C1 ZINC001149835805 796899865 /nfs/dbraw/zinc/89/98/65/796899865.db2.gz QRDPFHWYLYWWQY-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCCCCCC(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150138819 796922730 /nfs/dbraw/zinc/92/27/30/796922730.db2.gz GBFPWTULEMHDFD-INIZCTEOSA-N 0 3 312.429 2.137 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150141264 796923334 /nfs/dbraw/zinc/92/33/34/796923334.db2.gz ZAWFHUBZJHIVJE-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001150317720 796935211 /nfs/dbraw/zinc/93/52/11/796935211.db2.gz JKHJZKXMXRYARE-HUUCEWRRSA-N 0 3 320.458 2.082 20 30 DEEDHN CN(CCOCC1CCC1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084465 796935629 /nfs/dbraw/zinc/93/56/29/796935629.db2.gz NSWWWZFVTCFOIB-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001150436938 796942523 /nfs/dbraw/zinc/94/25/23/796942523.db2.gz YYEYANTULWJNGK-DOTOQJQBSA-N 0 3 320.433 2.241 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001150596360 796959121 /nfs/dbraw/zinc/95/91/21/796959121.db2.gz LDUKEUWEBRLCBM-CVEARBPZSA-N 0 3 318.417 2.004 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cccc2)C1 ZINC001150612463 796960277 /nfs/dbraw/zinc/96/02/77/796960277.db2.gz AIHGWDBNJQZUMJ-SJORKVTESA-N 0 3 319.449 2.222 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H]2CN(CC)CCCO2)CCCCC1 ZINC001150793310 796979330 /nfs/dbraw/zinc/97/93/30/796979330.db2.gz FAJZINIUIVOGRU-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCC1(S(=O)(=O)N[C@H]2CCN(CC(C)(C)C)C2)CC1 ZINC001190835863 797089986 /nfs/dbraw/zinc/08/99/86/797089986.db2.gz CDQKCEHOTPGXAQ-ZDUSSCGKSA-N 0 3 300.468 2.135 20 30 DEEDHN C[C@H]1CC[C@@H](CCC(=O)NCCNCc2ccc(C#N)s2)O1 ZINC001151793328 797096588 /nfs/dbraw/zinc/09/65/88/797096588.db2.gz ATUSRWDBMCILNY-STQMWFEESA-N 0 3 321.446 2.173 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2nc(C)sc2C)C1 ZINC001190867975 797098554 /nfs/dbraw/zinc/09/85/54/797098554.db2.gz FSFOBEGQWQJFTB-AWEZNQCLSA-N 0 3 323.462 2.109 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](N(C)CCOCC=C)C1 ZINC001191762809 797251817 /nfs/dbraw/zinc/25/18/17/797251817.db2.gz GNPSGVCZMQRSBE-KRWDZBQOSA-N 0 3 306.450 2.305 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC001152985264 797263439 /nfs/dbraw/zinc/26/34/39/797263439.db2.gz CQAXOYSBFKETSU-MEUBEVTNSA-N 0 3 309.413 2.056 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)CCOCC2CC2)C1 ZINC001191868173 797279141 /nfs/dbraw/zinc/27/91/41/797279141.db2.gz PFQDNRMAEQELMR-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232877 797304384 /nfs/dbraw/zinc/30/43/84/797304384.db2.gz NWSPXIPDQWVSDD-OAHLLOKOSA-N 0 3 309.413 2.298 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001153302299 797318020 /nfs/dbraw/zinc/31/80/20/797318020.db2.gz KMOFCMWIHAOSQV-OAHLLOKOSA-N 0 3 320.408 2.192 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc([C@H](C)OC)s1 ZINC001153362733 797329143 /nfs/dbraw/zinc/32/91/43/797329143.db2.gz UXFUEAVOWGWGGX-OLZOCXBDSA-N 0 3 323.462 2.314 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc([C@@H](C)OC)s1 ZINC001153362732 797329219 /nfs/dbraw/zinc/32/92/19/797329219.db2.gz UXFUEAVOWGWGGX-CHWSQXEVSA-N 0 3 323.462 2.314 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001192196242 797335546 /nfs/dbraw/zinc/33/55/46/797335546.db2.gz IAZNBWPGTYONRM-LBPRGKRZSA-N 0 3 312.797 2.282 20 30 DEEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001153566709 797355371 /nfs/dbraw/zinc/35/53/71/797355371.db2.gz KJFGWWVUUIYZBD-MRXNPFEDSA-N 0 3 306.450 2.231 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001192399300 797384573 /nfs/dbraw/zinc/38/45/73/797384573.db2.gz YBADGFIDEUUVHX-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C)CCCC1 ZINC001153809567 797400490 /nfs/dbraw/zinc/40/04/90/797400490.db2.gz RLTSZHRSCVZDSQ-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)NC(C)(C)CC)CCCC1 ZINC001153809728 797401188 /nfs/dbraw/zinc/40/11/88/797401188.db2.gz WUIYSDNBTUDCFP-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc2ccccc2n1 ZINC001153846452 797409382 /nfs/dbraw/zinc/40/93/82/797409382.db2.gz NJHFOWDJDXDCDI-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001192621169 797425809 /nfs/dbraw/zinc/42/58/09/797425809.db2.gz FUGXTEAGEGSYPY-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CN(CC2CCC(C)(C)CC2)C[C@H]1O ZINC001192761081 797441868 /nfs/dbraw/zinc/44/18/68/797441868.db2.gz DVPHARKKCNTASX-IAGOWNOFSA-N 0 3 320.477 2.024 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001154242395 797494344 /nfs/dbraw/zinc/49/43/44/797494344.db2.gz LFKZTWDFSZSDKI-WBVHZDCISA-N 0 3 314.429 2.088 20 30 DEEDHN C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C[NH+]2CCCCC2)cc1 ZINC001193139826 797511948 /nfs/dbraw/zinc/51/19/48/797511948.db2.gz NQZCSNISOLFPJB-ZDUSSCGKSA-N 0 3 307.419 2.326 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2ccncc2n1 ZINC001154356405 797522156 /nfs/dbraw/zinc/52/21/56/797522156.db2.gz UGNYNFNDFHJHEU-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001193231564 797526758 /nfs/dbraw/zinc/52/67/58/797526758.db2.gz IQJLYMCABJNZBT-HZPDHXFCSA-N 0 3 312.429 2.056 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H](C)CC(F)(F)F ZINC001154431557 797533903 /nfs/dbraw/zinc/53/39/03/797533903.db2.gz MLKNASKUSXYQHH-CHWSQXEVSA-N 0 3 322.371 2.051 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1O ZINC001193312843 797552002 /nfs/dbraw/zinc/55/20/02/797552002.db2.gz OJXXGFRYYLEZSH-YOIVVXPQSA-N 0 3 314.857 2.283 20 30 DEEDHN Cc1ccc(C(=O)NCCCNCc2ccccc2C#N)n1C ZINC001154584837 797567619 /nfs/dbraw/zinc/56/76/19/797567619.db2.gz AQZBQKOYKXUKQF-UHFFFAOYSA-N 0 3 310.401 2.115 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1occc1C ZINC001154603594 797571885 /nfs/dbraw/zinc/57/18/85/797571885.db2.gz FIUVZHHTRMNFPQ-UHFFFAOYSA-N 0 3 301.184 2.206 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCc2ccsc2)C1 ZINC001193970303 797656371 /nfs/dbraw/zinc/65/63/71/797656371.db2.gz IPLDWYOGRVDJMW-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001155011026 797660727 /nfs/dbraw/zinc/66/07/27/797660727.db2.gz CCAXXJONGGHVES-CQSZACIVSA-N 0 3 318.465 2.181 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066818 797673959 /nfs/dbraw/zinc/67/39/59/797673959.db2.gz NVCVRYVERVRQEV-ZIAGYGMSSA-N 0 3 303.878 2.152 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccncc1Cl ZINC001155237735 797714857 /nfs/dbraw/zinc/71/48/57/797714857.db2.gz HKVUIQDNDBYZOF-CYBMUJFWSA-N 0 3 307.825 2.127 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(F)cc(OC)cc1F ZINC001155394145 797747586 /nfs/dbraw/zinc/74/75/86/797747586.db2.gz GXWPGOLLYWNXRT-LLVKDONJSA-N 0 3 310.344 2.047 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 ZINC001194808900 797780292 /nfs/dbraw/zinc/78/02/92/797780292.db2.gz MPZMGDLQYGHUGT-MGPQQGTHSA-N 0 3 318.408 2.185 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(N2CCCC2)c1 ZINC001155994512 797900510 /nfs/dbraw/zinc/90/05/10/797900510.db2.gz XIILFHIFCQWCDM-MRXNPFEDSA-N 0 3 313.445 2.360 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2nccnc21 ZINC001156005824 797902777 /nfs/dbraw/zinc/90/27/77/797902777.db2.gz BEKDXUUPSXNUSQ-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cn(C)cn2)CC1 ZINC001195480920 797911543 /nfs/dbraw/zinc/91/15/43/797911543.db2.gz POCAJHBFIPFMTL-UHFFFAOYSA-N 0 3 304.438 2.314 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001156064400 797917169 /nfs/dbraw/zinc/91/71/69/797917169.db2.gz VNOGOIJCRMMYDY-CYBMUJFWSA-N 0 3 312.417 2.335 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCc1nc(C)cs1 ZINC001156160294 797935775 /nfs/dbraw/zinc/93/57/75/797935775.db2.gz QMQVVZQGUIQSAI-UHFFFAOYSA-N 0 3 311.451 2.030 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCCc2ccccc2)C1 ZINC001195808760 797966775 /nfs/dbraw/zinc/96/67/75/797966775.db2.gz YNGBZOAPWKEWTE-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001195923739 797983128 /nfs/dbraw/zinc/98/31/28/797983128.db2.gz KNADQQQRHUPVRT-NUJGCVRESA-N 0 3 308.466 2.496 20 30 DEEDHN C#CCC1(C(=O)N2CCCN(CCCCOC)CC2)CCC1 ZINC001196106952 798007173 /nfs/dbraw/zinc/00/71/73/798007173.db2.gz CHPGAHVIWDINNB-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001196127989 798008120 /nfs/dbraw/zinc/00/81/20/798008120.db2.gz CBMPBOLGMMJMNM-CFKPLXACSA-N 0 3 314.429 2.217 20 30 DEEDHN C#CCCN1CCCN(C(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001196156323 798014189 /nfs/dbraw/zinc/01/41/89/798014189.db2.gz YZECLGUASFWWDJ-UHFFFAOYSA-N 0 3 302.340 2.277 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2CN(C)CC2(C)C)cc1 ZINC001156599475 798039030 /nfs/dbraw/zinc/03/90/30/798039030.db2.gz ZYZRIMQTLKTDAJ-MRXNPFEDSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1OCc2ccccc21 ZINC001156641572 798050675 /nfs/dbraw/zinc/05/06/75/798050675.db2.gz GFQPMKKXNHFXHT-QAPCUYQASA-N 0 3 314.429 2.498 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001196860546 798120845 /nfs/dbraw/zinc/12/08/45/798120845.db2.gz MIGHGLBTXKNZLS-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001196953566 798130996 /nfs/dbraw/zinc/13/09/96/798130996.db2.gz FWBNDFQHQMWSRL-HUUCEWRRSA-N 0 3 324.371 2.365 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCOc2ccc(F)cc2)CC1 ZINC001197014149 798136359 /nfs/dbraw/zinc/13/63/59/798136359.db2.gz CGZUXSZNQSDXKX-UHFFFAOYSA-N 0 3 318.392 2.152 20 30 DEEDHN CC#CCN1CCCN(C(=O)CN(C)CCCCCC)CC1 ZINC001197477280 798193435 /nfs/dbraw/zinc/19/34/35/798193435.db2.gz GBJOPVRDEOHZOV-UHFFFAOYSA-N 0 3 307.482 2.056 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2n(c1)CCCC2 ZINC001157395272 798194742 /nfs/dbraw/zinc/19/47/42/798194742.db2.gz POGUFANXVGARNR-OAHLLOKOSA-N 0 3 301.434 2.288 20 30 DEEDHN 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DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC001158180365 798355467 /nfs/dbraw/zinc/35/54/67/798355467.db2.gz JRNLRIGEPSMKHH-CQSZACIVSA-N 0 3 316.449 2.401 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H](C)OC)c1ccccc1OC ZINC001198576189 798358086 /nfs/dbraw/zinc/35/80/86/798358086.db2.gz AMZQFVUNGWILCP-DZGCQCFKSA-N 0 3 306.406 2.053 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(OC)ccn1 ZINC001158305220 798380845 /nfs/dbraw/zinc/38/08/45/798380845.db2.gz ZBTHCYNXIHUQCQ-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN[C@H](CNC(=O)C#CC1CC1)c1ccccc1OC ZINC001198723045 798382619 /nfs/dbraw/zinc/38/26/19/798382619.db2.gz APORFTVSXCIHNC-QGZVFWFLSA-N 0 3 312.413 2.432 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1cc(C)on1 ZINC001158467620 798411584 /nfs/dbraw/zinc/41/15/84/798411584.db2.gz IBTWVFSOAJGPKG-MRXNPFEDSA-N 0 3 305.422 2.415 20 30 DEEDHN CN1CCC(N(c2cnc(C#N)c(C#N)n2)C2CCCC2)CC1 ZINC001158487564 798415220 /nfs/dbraw/zinc/41/52/20/798415220.db2.gz HNPNMNOMSAPTRH-UHFFFAOYSA-N 0 3 310.405 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309.373 2.130 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCOCC)CCC1)C2 ZINC001110572701 798807743 /nfs/dbraw/zinc/80/77/43/798807743.db2.gz TULFEGXXOXDMDD-ZACQAIPSSA-N 0 3 318.461 2.328 20 30 DEEDHN C#CCCCCCC(=O)N1CCC(NCc2cnns2)CC1 ZINC001202004549 798815808 /nfs/dbraw/zinc/81/58/08/798815808.db2.gz LPAHBXXXWIQZLL-UHFFFAOYSA-N 0 3 320.462 2.202 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@]2(C)CC=C(C)CC2)CCCO1 ZINC001202126416 798830126 /nfs/dbraw/zinc/83/01/26/798830126.db2.gz UDMYMZLKKUZRRZ-PKOBYXMFSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C(C)(C)CCCCC)CCCO1 ZINC001202142598 798832869 /nfs/dbraw/zinc/83/28/69/798832869.db2.gz YKRKVQJCBAZMIP-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(OC)o2)CC1 ZINC001161544356 798880960 /nfs/dbraw/zinc/88/09/60/798880960.db2.gz USDLGCFPUUNAKZ-UHFFFAOYSA-N 0 3 302.374 2.064 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOCC)CCC1 ZINC001110652674 798946297 /nfs/dbraw/zinc/94/62/97/798946297.db2.gz OSTRCKKBBSPSMZ-ZACQAIPSSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC001161994095 798987628 /nfs/dbraw/zinc/98/76/28/798987628.db2.gz SXCYRJVAFDUONJ-MRXNPFEDSA-N 0 3 316.449 2.385 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOc1ccc(C)cc1C ZINC001114371827 799074034 /nfs/dbraw/zinc/07/40/34/799074034.db2.gz LHWRWPZPYCGANH-MNZLEMJZSA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccsc4)C[C@H]32)CCC1 ZINC001114397293 799079502 /nfs/dbraw/zinc/07/95/02/799079502.db2.gz KPGYWDZMPZPUJP-ZSHCYNCHSA-N 0 3 314.454 2.488 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC2(C)C)(COC)CC1 ZINC001162423474 799085206 /nfs/dbraw/zinc/08/52/06/799085206.db2.gz GGLFRBXQHFFURC-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)CCC)(COC)CC1 ZINC001162559515 799117410 /nfs/dbraw/zinc/11/74/10/799117410.db2.gz XANFBAGAUNBKFQ-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2ccncc2n1 ZINC001162708730 799153671 /nfs/dbraw/zinc/15/36/71/799153671.db2.gz BURSLAOCXFVAOR-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cccc(/C=N/[O-])c1 ZINC001162732642 799161063 /nfs/dbraw/zinc/16/10/63/799161063.db2.gz GJOITOLWFHMARB-LZNAANCOSA-N 0 3 307.394 2.038 20 30 DEEDHN C[C@H](N)c1nc2ccccc2n1-c1nccc(C#N)c1[N+](=O)[O-] ZINC001162764458 799168690 /nfs/dbraw/zinc/16/86/90/799168690.db2.gz XXDRQMQQQOCYGS-VIFPVBQESA-N 0 3 308.301 2.220 20 30 DEEDHN N#CCOc1ccc(CN2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC001137118312 799194931 /nfs/dbraw/zinc/19/49/31/799194931.db2.gz SVEMBZPBDGOKKW-GOSISDBHSA-N 0 3 313.401 2.224 20 30 DEEDHN C=CCOC(=O)N1CCC2(CCN(Cc3cc[nH]n3)CC2)CC1 ZINC001137124011 799199115 /nfs/dbraw/zinc/19/91/15/799199115.db2.gz LVUJIGMNXIXFRK-UHFFFAOYSA-N 0 3 318.421 2.410 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)c1nc(C)c[nH]1 ZINC001162955086 799207818 /nfs/dbraw/zinc/20/78/18/799207818.db2.gz BBYCURQTPPTBQQ-UHFFFAOYSA-N 0 3 324.428 2.016 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)C(F)F)CCN1Cc1cccc(C#N)c1 ZINC000946945964 799213980 /nfs/dbraw/zinc/21/39/80/799213980.db2.gz KCRHKQYQYFMIIL-FZMZJTMJSA-N 0 3 307.344 2.292 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)C(F)F)CCN1Cc1ccc(C#N)cc1 ZINC000946952231 799230649 /nfs/dbraw/zinc/23/06/49/799230649.db2.gz JKDKSUYWRUYJMI-FZMZJTMJSA-N 0 3 307.344 2.292 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCCOC2)CC1 ZINC001163756759 799425023 /nfs/dbraw/zinc/42/50/23/799425023.db2.gz JDFBFNAKJTXJPN-CYBMUJFWSA-N 0 3 300.830 2.042 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001163953127 799463752 /nfs/dbraw/zinc/46/37/52/799463752.db2.gz IZQNYJOVVXYGRJ-UHFFFAOYSA-N 0 3 304.438 2.028 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001164223907 799545675 /nfs/dbraw/zinc/54/56/75/799545675.db2.gz XTAAAECDYCGVGU-CABCVRRESA-N 0 3 318.465 2.274 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1cc(OC)ccn1 ZINC001164324073 799572638 /nfs/dbraw/zinc/57/26/38/799572638.db2.gz OLIQZHAIDJRPBV-AWEZNQCLSA-N 0 3 305.422 2.288 20 30 DEEDHN CCc1nocc1CNCC1(CCNC(=O)C#CC2CC2)CC1 ZINC001164479051 799606414 /nfs/dbraw/zinc/60/64/14/799606414.db2.gz DUOKZSCTPGFRCV-UHFFFAOYSA-N 0 3 315.417 2.027 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2cc3n(n2)CCC3)CC1 ZINC001165921020 799795327 /nfs/dbraw/zinc/79/53/27/799795327.db2.gz CURIJQGMQVFSAT-UHFFFAOYSA-N 0 3 316.449 2.172 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](CC(C)C)OC ZINC001166061831 799821676 /nfs/dbraw/zinc/82/16/76/799821676.db2.gz NYTUXXOLRDPAJP-LBPRGKRZSA-N 0 3 321.259 2.052 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(C)(F)F)C2 ZINC001111033992 799839752 /nfs/dbraw/zinc/83/97/52/799839752.db2.gz GCDTWIAUOOQUFE-DGAVXFQQSA-N 0 3 316.392 2.202 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCNCc2cccc(OC)n2)C1 ZINC001166248881 799850222 /nfs/dbraw/zinc/85/02/22/799850222.db2.gz ISCDDYNMXVTSQH-UHFFFAOYSA-N 0 3 303.406 2.042 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN[C@@H](C)c2cnc(C)cn2)C1 ZINC001166245477 799850342 /nfs/dbraw/zinc/85/03/42/799850342.db2.gz 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/nfs/dbraw/zinc/09/62/77/800096277.db2.gz BMDSCLZJFVFSLT-AWEZNQCLSA-N 0 3 320.389 2.277 20 30 DEEDHN CN1CCN(Cc2cccc(Nc3cc(C#N)ccn3)c2)CC1 ZINC001204491576 800221324 /nfs/dbraw/zinc/22/13/24/800221324.db2.gz PUMIISGLGBUGDW-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cnn(C)c1C)C2 ZINC001204569567 800230374 /nfs/dbraw/zinc/23/03/74/800230374.db2.gz VMVFMQGWRAIMHI-GOSISDBHSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cn(C)nc1C)C2 ZINC001204581352 800234669 /nfs/dbraw/zinc/23/46/69/800234669.db2.gz WOTDNLYEKPCNAR-MSOLQXFVSA-N 0 3 319.449 2.302 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3C#N)C[C@H]1N2C ZINC001205584765 800381186 /nfs/dbraw/zinc/38/11/86/800381186.db2.gz HMALYHURECJCEN-WNRNVDISSA-N 0 3 314.385 2.242 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(C)nn1C)CC2 ZINC001205897109 800440935 /nfs/dbraw/zinc/44/09/35/800440935.db2.gz NDCPNBOAEMLSHQ-SFHVURJKSA-N 0 3 316.449 2.262 20 30 DEEDHN COc1ccc(C#N)cc1CNC1(CC(N)=O)CCCCC1 ZINC000934822730 800466703 /nfs/dbraw/zinc/46/67/03/800466703.db2.gz KSAQCCPJQKLYPR-UHFFFAOYSA-N 0 3 301.390 2.235 20 30 DEEDHN C=CCCCC(=O)N1CCC(CNCc2cc(C)ncn2)CC1 ZINC001206105254 800473894 /nfs/dbraw/zinc/47/38/94/800473894.db2.gz JUKJLXNXMKEORO-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN C#Cc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000934932801 800503143 /nfs/dbraw/zinc/50/31/43/800503143.db2.gz GDUFPCDARRNVKT-QGZVFWFLSA-N 0 3 315.417 2.242 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001207001206 800651934 /nfs/dbraw/zinc/65/19/34/800651934.db2.gz SRSIDVSAXTXTKG-RBSFLKMASA-N 0 3 304.438 2.019 20 30 DEEDHN O=C(c1ccncc1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207064352 800671909 /nfs/dbraw/zinc/67/19/09/800671909.db2.gz WQHFUICOWANAKJ-LJQANCHMSA-N 0 3 319.408 2.328 20 30 DEEDHN Cc1cc(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)no1 ZINC001207177461 800704733 /nfs/dbraw/zinc/70/47/33/800704733.db2.gz JRJYMJMWZSVMLN-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C#CCN(CC#C)CCC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207232946 800714007 /nfs/dbraw/zinc/71/40/07/800714007.db2.gz RLJIJYVYSRJQLA-UHFFFAOYSA-N 0 3 302.418 2.392 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2cccc(F)c2)C1 ZINC001207376155 800740986 /nfs/dbraw/zinc/74/09/86/800740986.db2.gz HPXOOCWVYSQHJP-CZUORRHYSA-N 0 3 306.381 2.217 20 30 DEEDHN CS[C@@H](C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207451316 800754205 /nfs/dbraw/zinc/75/42/05/800754205.db2.gz MWOBMVLFEXSLJG-RDJZCZTQSA-N 0 3 316.470 2.370 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001207740360 800821587 /nfs/dbraw/zinc/82/15/87/800821587.db2.gz QTLKNAIPZHCCJZ-TZMCWYRMSA-N 0 3 316.392 2.061 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001207863839 800852717 /nfs/dbraw/zinc/85/27/17/800852717.db2.gz YQZYUJAWJCVFEA-KRWDZBQOSA-N 0 3 314.433 2.059 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC[C@H](NCc2cncs2)C1 ZINC001208014807 800893381 /nfs/dbraw/zinc/89/33/81/800893381.db2.gz TUKKRJIHSLXZSW-ZDUSSCGKSA-N 0 3 305.447 2.273 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCC(=O)N[C@@H](C)CC)C1 ZINC001208239977 800936720 /nfs/dbraw/zinc/93/67/20/800936720.db2.gz HSDPNUFWTZRIMM-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCCC)C1 ZINC001208245223 800937764 /nfs/dbraw/zinc/93/77/64/800937764.db2.gz CPNINRQVBCGXRN-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001208255437 800940605 /nfs/dbraw/zinc/94/06/05/800940605.db2.gz IHWYRRSJYIWIPS-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001208422421 800980234 /nfs/dbraw/zinc/98/02/34/800980234.db2.gz PCNIQWMKQNIAPG-SOLBZPMBSA-N 0 3 313.445 2.425 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2cnn(CC)c2)C[C@H]1C ZINC001208452374 800985612 /nfs/dbraw/zinc/98/56/12/800985612.db2.gz IIMXTSONWJNEFD-NVXWUHKLSA-N 0 3 318.465 2.238 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001208533423 801006595 /nfs/dbraw/zinc/00/65/95/801006595.db2.gz LDHOFUPTSGHELV-YFHUEUNASA-N 0 3 306.450 2.206 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001208964402 801103206 /nfs/dbraw/zinc/10/32/06/801103206.db2.gz YJVACJCOXNSFBU-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001208961788 801103664 /nfs/dbraw/zinc/10/36/64/801103664.db2.gz KHZGFEGPRPPCCQ-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001209145569 801135980 /nfs/dbraw/zinc/13/59/80/801135980.db2.gz FEMDOKLUYZAJBY-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@@H](NCc2ccns2)C1 ZINC001209158314 801139342 /nfs/dbraw/zinc/13/93/42/801139342.db2.gz XDFRQUZRKXWDLW-CQSZACIVSA-N 0 3 305.447 2.417 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001209240091 801157513 /nfs/dbraw/zinc/15/75/13/801157513.db2.gz ZGUIOVHXJJNPKZ-FVQBIDKESA-N 0 3 320.433 2.331 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001209344411 801173433 /nfs/dbraw/zinc/17/34/33/801173433.db2.gz DMVQYWLGHPLNTH-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@H](NCc3cncn3C)C2)CCC1 ZINC001209503681 801203181 /nfs/dbraw/zinc/20/31/81/801203181.db2.gz LNFYAXVAKCFDQM-HNNXBMFYSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1c[nH]nc1C)C2 ZINC001209552324 801213280 /nfs/dbraw/zinc/21/32/80/801213280.db2.gz GKIHNDYYJADVDH-KRWDZBQOSA-N 0 3 302.422 2.251 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H](C)CC ZINC001229262769 801249828 /nfs/dbraw/zinc/24/98/28/801249828.db2.gz QZKCHHOAORFCRA-ARFHVFGLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001209865562 801296979 /nfs/dbraw/zinc/29/69/79/801296979.db2.gz IBEVXPBACSKEDB-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN O=C(Cc1ccco1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001210245252 801358000 /nfs/dbraw/zinc/35/80/00/801358000.db2.gz RTPUVLAZPZVMJW-GOSISDBHSA-N 0 3 322.408 2.454 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C(C)(C)C(F)(F)F)CC1 ZINC001230107638 801361831 /nfs/dbraw/zinc/36/18/31/801361831.db2.gz PXYVAJNTBWKQTO-UHFFFAOYSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001230328297 801387918 /nfs/dbraw/zinc/38/79/18/801387918.db2.gz ZEFGQQYEMQQWSY-USXIJHARSA-N 0 3 317.433 2.190 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001210743380 801456405 /nfs/dbraw/zinc/45/64/05/801456405.db2.gz MYYKDUXLEVXLDZ-BFYDXBDKSA-N 0 3 302.418 2.467 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H](C)CC)Cc1cccnc1 ZINC001230681099 801460657 /nfs/dbraw/zinc/46/06/57/801460657.db2.gz XNOJLJYZMCGAML-INIZCTEOSA-N 0 3 301.434 2.459 20 30 DEEDHN C#CCCN(CCCNC(=O)/C=C\C1CC1)Cc1cccnc1 ZINC001230721060 801474451 /nfs/dbraw/zinc/47/44/51/801474451.db2.gz WPRYGXMUPWIANS-KTKRTIGZSA-N 0 3 311.429 2.379 20 30 DEEDHN C=C(C)CN(CCCNC(=O)CC(C)(C)O)Cc1cccnc1 ZINC001230747667 801482594 /nfs/dbraw/zinc/48/25/94/801482594.db2.gz FKNZYPAHSAIRDO-UHFFFAOYSA-N 0 3 319.449 2.127 20 30 DEEDHN COC(=O)C[C@@H](C#N)c1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001230999892 801550489 /nfs/dbraw/zinc/55/04/89/801550489.db2.gz LIFUEPDPWBAZGC-RDJZCZTQSA-N 0 3 314.385 2.330 20 30 DEEDHN COC(=O)C[C@H](C#N)c1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001230999900 801551596 /nfs/dbraw/zinc/55/15/96/801551596.db2.gz LIFUEPDPWBAZGC-WBVHZDCISA-N 0 3 314.385 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](OC)C1 ZINC001213203083 801583103 /nfs/dbraw/zinc/58/31/03/801583103.db2.gz LCRKZIRSFCILRQ-ORDFZIBCSA-N 0 3 306.450 2.204 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCCC1CCOCC1 ZINC001231293537 801627624 /nfs/dbraw/zinc/62/76/24/801627624.db2.gz ODBILSQAGVXISO-WBVHZDCISA-N 0 3 321.465 2.276 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)OCC=C)[C@H](OC)C1 ZINC001213961424 801658031 /nfs/dbraw/zinc/65/80/31/801658031.db2.gz CKDVCFHXWWERPB-BRWVUGGUSA-N 0 3 324.465 2.139 20 30 DEEDHN CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001231407407 801658659 /nfs/dbraw/zinc/65/86/59/801658659.db2.gz JNTPIGMINILALX-MBVDDHJVSA-N 0 3 300.406 2.389 20 30 DEEDHN CN(C[C@H]1CCN1CCCCCF)C(=O)c1cc(C#N)c[nH]1 ZINC001231407035 801659063 /nfs/dbraw/zinc/65/90/63/801659063.db2.gz FGVPNXNYPYNCTL-CQSZACIVSA-N 0 3 306.385 2.172 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001214036066 801667558 /nfs/dbraw/zinc/66/75/58/801667558.db2.gz JATQVOFGXXSVMU-CZUORRHYSA-N 0 3 320.383 2.362 20 30 DEEDHN C=CCOc1cccc(CN2CCC(NC(=O)N(C)C)CC2)c1 ZINC001231624861 801698704 /nfs/dbraw/zinc/69/87/04/801698704.db2.gz ZEKZKEBKXJRUHX-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCOc1cccc(CN2CCN(CCCOC)CC2)c1 ZINC001231625550 801699217 /nfs/dbraw/zinc/69/92/17/801699217.db2.gz TVELDVYTKZPTBQ-UHFFFAOYSA-N 0 3 304.434 2.406 20 30 DEEDHN C[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214394507 801710746 /nfs/dbraw/zinc/71/07/46/801710746.db2.gz OWFGFHLDRUBBNQ-URWYZWATSA-N 0 3 308.425 2.441 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001214582081 801735700 /nfs/dbraw/zinc/73/57/00/801735700.db2.gz IIKMGXAMFZEILG-UKRRQHHQSA-N 0 3 319.836 2.331 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001215427867 801860204 /nfs/dbraw/zinc/86/02/04/801860204.db2.gz MWMVPRFXRHDWIZ-RBSFLKMASA-N 0 3 323.481 2.082 20 30 DEEDHN N#Cc1ccnc(CN2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001232475119 801895916 /nfs/dbraw/zinc/89/59/16/801895916.db2.gz GDNHQHUCNQUOJC-IBGZPJMESA-N 0 3 324.428 2.178 20 30 DEEDHN COC(=O)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001232704276 801944403 /nfs/dbraw/zinc/94/44/03/801944403.db2.gz PXCGDYCBMMZXFH-AWEZNQCLSA-N 0 3 321.373 2.386 20 30 DEEDHN N#Cc1cc(CN2CCN3CC[C@@H]3C2)ccc1Br ZINC001232897669 801980796 /nfs/dbraw/zinc/98/07/96/801980796.db2.gz QZSAYXWMVSBTQN-CYBMUJFWSA-N 0 3 306.207 2.211 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)n1 ZINC001232927499 801986637 /nfs/dbraw/zinc/98/66/37/801986637.db2.gz CDUSUNMMSBWDBT-DLBZAZTESA-N 0 3 302.397 2.352 20 30 DEEDHN CN(C)c1ccc(CN2CCN3CCCC[C@@H]3C2)c(F)c1C#N ZINC001233100337 802025950 /nfs/dbraw/zinc/02/59/50/802025950.db2.gz GCMFZQGTALASKN-OAHLLOKOSA-N 0 3 316.424 2.433 20 30 DEEDHN C#CCCCCC(=O)N1CCO[C@@H]2CN(CC/C=C/CC)C[C@@H]21 ZINC001217669583 802096556 /nfs/dbraw/zinc/09/65/56/802096556.db2.gz KVWKGWRXPUIPAL-JFDVKVQISA-N 0 3 318.461 2.448 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001233489411 802131204 /nfs/dbraw/zinc/13/12/04/802131204.db2.gz ICKIEOURTQTPLB-SWLSCSKDSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@@H](C=C)CC)[C@H]2C1 ZINC001218517191 802196080 /nfs/dbraw/zinc/19/60/80/802196080.db2.gz JTTHSPDOXYULOU-YESZJQIVSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233749723 802197139 /nfs/dbraw/zinc/19/71/39/802197139.db2.gz BQOAGIFBRSJXBR-CVEARBPZSA-N 0 3 319.453 2.118 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC(=O)NCC ZINC001233836768 802220967 /nfs/dbraw/zinc/22/09/67/802220967.db2.gz IUBGWJVNNNTASP-HNNXBMFYSA-N 0 3 311.470 2.016 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001233935881 802244952 /nfs/dbraw/zinc/24/49/52/802244952.db2.gz DPWASZPKDPWKTL-HKUYNNGSSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H]2CCCc3ccccc32)C[C@@H]1O ZINC001219346704 802314548 /nfs/dbraw/zinc/31/45/48/802314548.db2.gz SPGOHVVKNRUJRF-SQNIBIBYSA-N 0 3 314.429 2.192 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](O)C1 ZINC001219420257 802327195 /nfs/dbraw/zinc/32/71/95/802327195.db2.gz NWTPCHKJJMMUFA-ALYAQQCSSA-N 0 3 308.466 2.164 20 30 DEEDHN CCO[C@H](CN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C)C1CC1 ZINC001234216188 802327254 /nfs/dbraw/zinc/32/72/54/802327254.db2.gz UXKZKFFWASUSND-DLBZAZTESA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001234267425 802340013 /nfs/dbraw/zinc/34/00/13/802340013.db2.gz ZFVXVACBGFIXKW-CVEARBPZSA-N 0 3 308.466 2.384 20 30 DEEDHN COc1cc(/C=C/C(C)=O)ccc1OCCN1CC[C@@H](OC)C1 ZINC001234338950 802356903 /nfs/dbraw/zinc/35/69/03/802356903.db2.gz LEGKFZUWCSSFDD-DWTRPJMMSA-N 0 3 319.401 2.397 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@@H]1O ZINC001219711011 802371314 /nfs/dbraw/zinc/37/13/14/802371314.db2.gz ROVFYUJSJUGAEN-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001234536868 802406520 /nfs/dbraw/zinc/40/65/20/802406520.db2.gz IASFXKFAOLMZMM-LBPRGKRZSA-N 0 3 312.364 2.391 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)CC=C)[C@@H](O)C1 ZINC001220435929 802460456 /nfs/dbraw/zinc/46/04/56/802460456.db2.gz MVNHRTWFBZHGJG-CVEARBPZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001220570641 802474830 /nfs/dbraw/zinc/47/48/30/802474830.db2.gz SKNJZYAJYPZNLS-XYPHTWIQSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001220783354 802497782 /nfs/dbraw/zinc/49/77/82/802497782.db2.gz GWHHGPKXQCPTNP-NXHRZFHOSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](O)C1 ZINC001221129524 802532553 /nfs/dbraw/zinc/53/25/53/802532553.db2.gz HZLFOCXTIYAHOL-CABCVRRESA-N 0 3 306.406 2.144 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)[C@@H](O)C1 ZINC001221220216 802538415 /nfs/dbraw/zinc/53/84/15/802538415.db2.gz QAFFUGJYMHRUMP-WIJVFFIESA-N 0 3 314.429 2.136 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001221436180 802572991 /nfs/dbraw/zinc/57/29/91/802572991.db2.gz ONHLPQGCZFSBKG-KBAYOESNSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3CC(C)(C)C3)[C@@H]2C1 ZINC001221520094 802587196 /nfs/dbraw/zinc/58/71/96/802587196.db2.gz SIGUMZYCJXDWDU-GDBMZVCRSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CCN(CCCF)C[C@H]21)OCC ZINC001221586017 802595221 /nfs/dbraw/zinc/59/52/21/802595221.db2.gz BQTLIJJLAILOQA-OAGGEKHMSA-N 0 3 312.429 2.250 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001221644433 802600498 /nfs/dbraw/zinc/60/04/98/802600498.db2.gz JHZBOBFUMGJEFZ-BRWVUGGUSA-N 0 3 318.461 2.302 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(CCOCC)C[C@H]21 ZINC001221740558 802608347 /nfs/dbraw/zinc/60/83/47/802608347.db2.gz BDBXXKLKUJFJNP-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC3(C(F)(F)F)CC3)C[C@@H]21 ZINC001222880734 802745933 /nfs/dbraw/zinc/74/59/33/802745933.db2.gz BFNJOFGEKMXWAA-OLZOCXBDSA-N 0 3 314.351 2.275 20 30 DEEDHN Cc1cncc(CN2CCC(CNC(=O)C#CC(C)C)CC2)c1 ZINC001223096992 802765579 /nfs/dbraw/zinc/76/55/79/802765579.db2.gz QSHJCQMTKYCARN-UHFFFAOYSA-N 0 3 313.445 2.378 20 30 DEEDHN Cc1cncc(CN2CCC(CNC(=O)C#CC3CC3)CC2)c1 ZINC001223130266 802768327 /nfs/dbraw/zinc/76/83/27/802768327.db2.gz KPIKMWUCNKKNTL-UHFFFAOYSA-N 0 3 311.429 2.132 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@](C)(C=C)CCOC)C[C@@H]21 ZINC001223200753 802772852 /nfs/dbraw/zinc/77/28/52/802772852.db2.gz RMGLUHDAVYUEKG-RYRKJORJSA-N 0 3 306.450 2.324 20 30 DEEDHN C#CC1(F)CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001223402187 802787375 /nfs/dbraw/zinc/78/73/75/802787375.db2.gz MKLCYMQWSSEYMK-INIZCTEOSA-N 0 3 315.392 2.018 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@](C)(OC)c2ccccc2)CC1 ZINC001225200061 802943922 /nfs/dbraw/zinc/94/39/22/802943922.db2.gz XLMOHKJCGJWVNA-IBGZPJMESA-N 0 3 314.429 2.010 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2c(F)cccc2Cl)CC1 ZINC001225263550 802948454 /nfs/dbraw/zinc/94/84/54/802948454.db2.gz IEBJGEPMGIDIFB-UHFFFAOYSA-N 0 3 322.811 2.483 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC001225309948 802953593 /nfs/dbraw/zinc/95/35/93/802953593.db2.gz FBPUXMGOFJWUPS-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001225356282 802957487 /nfs/dbraw/zinc/95/74/87/802957487.db2.gz STXLSBMACISCLX-HZPDHXFCSA-N 0 3 321.421 2.011 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1ccc(F)cc1F ZINC001330768979 1149287392 /nfs/dbraw/zinc/28/73/92/1149287392.db2.gz IYEDMCUSOWNXTM-VXGBXAGGSA-N 0 3 309.360 2.499 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@H]1CCCOC1 ZINC001330988775 1149353446 /nfs/dbraw/zinc/35/34/46/1149353446.db2.gz QEFHNOAQRUWKLB-ZIAGYGMSSA-N 0 3 302.846 2.430 20 30 DEEDHN COCC1(C(=O)N[C@H](C)[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001368851958 1148717219 /nfs/dbraw/zinc/71/72/19/1148717219.db2.gz HWZOZPVYQMNBPR-NWDGAFQWSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC001331517246 1149500000 /nfs/dbraw/zinc/50/00/00/1149500000.db2.gz FCXSIOSJMRXLFS-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN CCCCCN1CC(N2CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001328116208 1148724762 /nfs/dbraw/zinc/72/47/62/1148724762.db2.gz JPXKIIUAXZFNFD-UHFFFAOYSA-N 0 3 319.493 2.055 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)NCc1ccc(C#N)s1 ZINC001419732759 1168825086 /nfs/dbraw/zinc/82/50/86/1168825086.db2.gz RWXJMTKMKVCGHW-UWJYBYFXSA-N 0 3 313.373 2.115 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@H](C)[C@H](C)CC)CC2)C1 ZINC001328129702 1148727312 /nfs/dbraw/zinc/72/73/12/1148727312.db2.gz WKCZGTNQIAJIGH-IAGOWNOFSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)c1ccccc1C(C)(C)CC ZINC001331737704 1149645281 /nfs/dbraw/zinc/64/52/81/1149645281.db2.gz BNODFXWYUNKQQT-AWEZNQCLSA-N 0 3 304.434 2.241 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(C(=O)OC)cc1 ZINC001343526425 1150750520 /nfs/dbraw/zinc/75/05/20/1150750520.db2.gz OOZLEGDRBHAIDD-HNNXBMFYSA-N 0 3 304.390 2.115 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001574962176 1069310443 /nfs/dbraw/zinc/31/04/43/1069310443.db2.gz GWSPDLADNVGVSC-JYJNAYRXSA-N 0 3 318.417 2.215 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](CO)NCc1ccccc1C ZINC001331789607 1149685766 /nfs/dbraw/zinc/68/57/66/1149685766.db2.gz JUYCOLKPSNVVMO-MRXNPFEDSA-N 0 3 304.434 2.164 20 30 DEEDHN Cc1nc(CN[C@@H](C)CCNC(=O)C#CC2CC2)sc1C ZINC001328342931 1148777715 /nfs/dbraw/zinc/77/77/15/1148777715.db2.gz PTKNQORPDAFHBK-NSHDSACASA-N 0 3 305.447 2.158 20 30 DEEDHN C=C(C)CCC(=O)N1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001523178924 1069580231 /nfs/dbraw/zinc/58/02/31/1069580231.db2.gz DLVVZFNSBZVXDZ-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001328502055 1148803557 /nfs/dbraw/zinc/80/35/57/1148803557.db2.gz WLBGKRYRAINLHQ-IEBWSBKVSA-N 0 3 319.493 2.267 20 30 DEEDHN C=CCC1(O)CC[NH+]([C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602818630 1069766422 /nfs/dbraw/zinc/76/64/22/1069766422.db2.gz SVZNJTLPSAGVQN-CYBMUJFWSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC1(O)CC[NH+]([C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602818630 1069766425 /nfs/dbraw/zinc/76/64/25/1069766425.db2.gz SVZNJTLPSAGVQN-CYBMUJFWSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602852139 1069779003 /nfs/dbraw/zinc/77/90/03/1069779003.db2.gz JKODIBKRUZZBHX-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602852139 1069779014 /nfs/dbraw/zinc/77/90/14/1069779014.db2.gz JKODIBKRUZZBHX-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602852139 1069779020 /nfs/dbraw/zinc/77/90/20/1069779020.db2.gz JKODIBKRUZZBHX-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602852139 1069779027 /nfs/dbraw/zinc/77/90/27/1069779027.db2.gz JKODIBKRUZZBHX-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCC(=O)NC(C)(C)C ZINC001328643726 1148819431 /nfs/dbraw/zinc/81/94/31/1148819431.db2.gz IEVITYNCCWOPRP-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1snnc1C1CC1 ZINC001328733386 1148829470 /nfs/dbraw/zinc/82/94/70/1148829470.db2.gz PGYGDMACLOVTDV-GFCCVEGCSA-N 0 3 306.435 2.138 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH]c1=O ZINC001328752323 1148831407 /nfs/dbraw/zinc/83/14/07/1148831407.db2.gz HPMOQBPEWWGOTM-AWEZNQCLSA-N 0 3 303.406 2.126 20 30 DEEDHN C=CC[C@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001351228488 1151497638 /nfs/dbraw/zinc/49/76/38/1151497638.db2.gz MOGAODXEUBOPGQ-GJZGRUSLSA-N 0 3 303.454 2.417 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001529295218 1070932513 /nfs/dbraw/zinc/93/25/13/1070932513.db2.gz GJTWHRGAUHPAJG-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001529313472 1070936867 /nfs/dbraw/zinc/93/68/67/1070936867.db2.gz ZIEQGANUPXCFPK-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(OC)c1OC ZINC001328787680 1148835266 /nfs/dbraw/zinc/83/52/66/1148835266.db2.gz XOYFKMPTAVSNNC-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001531199835 1071457237 /nfs/dbraw/zinc/45/72/37/1071457237.db2.gz CNXITBOADIDSLF-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C(=O)CN(CC)CC ZINC001531982524 1071601161 /nfs/dbraw/zinc/60/11/61/1071601161.db2.gz VFNPWPYWNPMJOL-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1cc(OC)ns1 ZINC001499888961 1058348985 /nfs/dbraw/zinc/34/89/85/1058348985.db2.gz OIBMFMWRCPTFQC-ZDUSSCGKSA-N 0 3 321.446 2.036 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001328998893 1148856408 /nfs/dbraw/zinc/85/64/08/1148856408.db2.gz VPRWJZQNLINSOE-VXGBXAGGSA-N 0 3 307.442 2.051 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001499948165 1058395842 /nfs/dbraw/zinc/39/58/42/1058395842.db2.gz OZMFRUBYEKAKAA-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001500302143 1058676518 /nfs/dbraw/zinc/67/65/18/1058676518.db2.gz OZGJMTKHZBYYRR-SNVBAGLBSA-N 0 3 300.271 2.341 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001500436359 1058781174 /nfs/dbraw/zinc/78/11/74/1058781174.db2.gz HQMZAAVJRRHHDZ-IRXDYDNUSA-N 0 3 318.461 2.186 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001500451509 1058796342 /nfs/dbraw/zinc/79/63/42/1058796342.db2.gz MRUYASOTLXIULX-DLBZAZTESA-N 0 3 320.477 2.291 20 30 DEEDHN Cc1cncc(CN2CCC[C@@](C)(CNC(=O)[C@H](C)C#N)C2)c1 ZINC001500485007 1058837454 /nfs/dbraw/zinc/83/74/54/1058837454.db2.gz FGDYCLGFQTTXFT-QAPCUYQASA-N 0 3 314.433 2.268 20 30 DEEDHN CCOC(=O)[C@]12CCC[C@H]1C[C@@H](NCC1(C#N)CCOCC1)C2 ZINC001462656084 1058871860 /nfs/dbraw/zinc/87/18/60/1058871860.db2.gz SRCLXJAAWVJQGL-DAYGRLMNSA-N 0 3 320.433 2.408 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001500537898 1058906411 /nfs/dbraw/zinc/90/64/11/1058906411.db2.gz MOFFSBSEQKSOII-LNLFQRSKSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001500686743 1059009697 /nfs/dbraw/zinc/00/96/97/1059009697.db2.gz KNTFECYGKJVKPR-SFHVURJKSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001463835898 1059032204 /nfs/dbraw/zinc/03/22/04/1059032204.db2.gz JMMKJEOUAPOLDT-UHFFFAOYSA-N 0 3 320.389 2.205 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329026933 1148858690 /nfs/dbraw/zinc/85/86/90/1148858690.db2.gz JRZCUVCPVMMTEE-DLBZAZTESA-N 0 3 323.440 2.482 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1[nH]cnc1CC ZINC001501200016 1059369217 /nfs/dbraw/zinc/36/92/17/1059369217.db2.gz MHOVCZFIZIXZHL-UHFFFAOYSA-N 0 3 324.428 2.227 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cnc(C)[nH]2)cc1 ZINC001501672400 1059624818 /nfs/dbraw/zinc/62/48/18/1059624818.db2.gz FAOBDWCQNIXENR-CYBMUJFWSA-N 0 3 310.401 2.322 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC2CCOCC2)cc1 ZINC001501673806 1059626359 /nfs/dbraw/zinc/62/63/59/1059626359.db2.gz RUNRBKJZWGWYER-HNNXBMFYSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccnn2C)cc1 ZINC001501674244 1059626813 /nfs/dbraw/zinc/62/68/13/1059626813.db2.gz WCXMKEYZXNDLBA-CQSZACIVSA-N 0 3 310.401 2.024 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cnsn2)cc1 ZINC001501672849 1059627100 /nfs/dbraw/zinc/62/71/00/1059627100.db2.gz JIZAZAYIEGIFAQ-LBPRGKRZSA-N 0 3 314.414 2.142 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ncccc2OC)cc1 ZINC001501681377 1059631645 /nfs/dbraw/zinc/63/16/45/1059631645.db2.gz IAWZOUYABNHDBF-CQSZACIVSA-N 0 3 323.396 2.304 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC(OCC(C)C)C2)CC1 ZINC001468639600 1059824073 /nfs/dbraw/zinc/82/40/73/1059824073.db2.gz LDDNWKJMFJRFQG-UHFFFAOYSA-N 0 3 309.454 2.093 20 30 DEEDHN CC#CCNC1(CNC(=O)c2coc(=O)c3ccccc23)CCC1 ZINC001501989116 1059838177 /nfs/dbraw/zinc/83/81/77/1059838177.db2.gz USAXFETXUFZCCF-UHFFFAOYSA-N 0 3 324.380 2.058 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H](CNCc2c(C)nsc2C)C1 ZINC001502043795 1059893694 /nfs/dbraw/zinc/89/36/94/1059893694.db2.gz NHOKRAZYWNHRBY-CQSZACIVSA-N 0 3 323.462 2.043 20 30 DEEDHN C=C1CN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001470038545 1060039679 /nfs/dbraw/zinc/03/96/79/1060039679.db2.gz RXZGCGNAZNGBBA-UHFFFAOYSA-N 0 3 319.836 2.251 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cc(F)ccc1F ZINC001502342051 1060055422 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323.481 2.038 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCn1ccnc1 ZINC001570027181 1065892918 /nfs/dbraw/zinc/89/29/18/1065892918.db2.gz ZBQZVMKGJUEOOI-UHFFFAOYSA-N 0 3 312.417 2.207 20 30 DEEDHN Cc1nc(CNCC[C@@H](C)NC(=O)C#CC2CC2)sc1C ZINC001497186002 1065951076 /nfs/dbraw/zinc/95/10/76/1065951076.db2.gz IWPNFBBBXNWYAU-LLVKDONJSA-N 0 3 305.447 2.158 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1[nH]cnc1C(F)(F)F ZINC001497206238 1065962238 /nfs/dbraw/zinc/96/22/38/1065962238.db2.gz SBZKZDRFONTYTR-QMMMGPOBSA-N 0 3 324.734 2.279 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2)CC1 ZINC001570187407 1065964297 /nfs/dbraw/zinc/96/42/97/1065964297.db2.gz LNRDWLAMLACGGD-OAHLLOKOSA-N 0 3 320.820 2.323 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cccc(N2CCCC2)c1 ZINC001570214555 1065975474 /nfs/dbraw/zinc/97/54/74/1065975474.db2.gz RLUHAYLDCBDXOR-UHFFFAOYSA-N 0 3 313.445 2.314 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNCc1cccnc1OC ZINC001497240146 1065982535 /nfs/dbraw/zinc/98/25/35/1065982535.db2.gz BIUHTSACEWABQU-CYBMUJFWSA-N 0 3 305.422 2.287 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(NCc2snnc2C)CC1 ZINC001570369531 1066036826 /nfs/dbraw/zinc/03/68/26/1066036826.db2.gz VBKVRUZAMTZCRX-UHFFFAOYSA-N 0 3 308.451 2.283 20 30 DEEDHN CCN(CCNCc1ccc(OC)c(C#N)c1)C(=O)[C@@H]1C[C@@H]1C ZINC001497349163 1066040053 /nfs/dbraw/zinc/04/00/53/1066040053.db2.gz XWOGOIBUNZQOQM-XJKSGUPXSA-N 0 3 315.417 2.161 20 30 DEEDHN C=CCCC(=O)N(CC)CCNCC(=O)N1[C@H](C)CCC[C@H]1C ZINC001497359611 1066048476 /nfs/dbraw/zinc/04/84/76/1066048476.db2.gz WDMRKMRWPQHGLM-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CC ZINC001570505305 1066100289 /nfs/dbraw/zinc/10/02/89/1066100289.db2.gz XGJVVOOTAGZUEZ-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1cc(F)ccc1CNC/C=C/CNC(=O)CSCC#N ZINC001497538374 1066132440 /nfs/dbraw/zinc/13/24/40/1066132440.db2.gz UUEKUMMIVRKZKB-NSCUHMNNSA-N 0 3 321.421 2.153 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)C#CC(C)C)cc1C ZINC001497579586 1066147945 /nfs/dbraw/zinc/14/79/45/1066147945.db2.gz PPLWSHZNYHTAIC-AATRIKPKSA-N 0 3 314.429 2.425 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CNCc1cccc(NC(C)=O)c1 ZINC001497804303 1066329602 /nfs/dbraw/zinc/32/96/02/1066329602.db2.gz IOJMHRFRONDNIZ-CYBMUJFWSA-N 0 3 303.406 2.206 20 30 DEEDHN Cc1ccc(F)c(CNC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)c1 ZINC001497806819 1066332724 /nfs/dbraw/zinc/33/27/24/1066332724.db2.gz KDEPOXWDZQRPSX-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNCc2cncs2)CCOCC1 ZINC001497975143 1066440147 /nfs/dbraw/zinc/44/01/47/1066440147.db2.gz FBPLETBECBIANB-CYBMUJFWSA-N 0 3 323.462 2.110 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccnc(OC)c2)CCC1 ZINC001498105948 1066506623 /nfs/dbraw/zinc/50/66/23/1066506623.db2.gz JEHRIBQAPMQFMB-AWEZNQCLSA-N 0 3 317.433 2.431 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)Cc1ccoc1 ZINC001498262239 1066603359 /nfs/dbraw/zinc/60/33/59/1066603359.db2.gz LOVWKSNSCAQSQZ-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CN(C)C[C@H](O)c1ccc(F)cc1 ZINC001498267392 1066606387 /nfs/dbraw/zinc/60/63/87/1066606387.db2.gz XVICSPPQNNHIGI-PBHICJAKSA-N 0 3 320.408 2.099 20 30 DEEDHN COc1cccc(CN(C)C[C@H](C)NC(=O)C#CC2CC2)c1C ZINC001498275578 1066609242 /nfs/dbraw/zinc/60/92/42/1066609242.db2.gz GDNXORZOTVHWLE-AWEZNQCLSA-N 0 3 314.429 2.354 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@@H](OCCCC)C1(C)C ZINC001632744827 1078390194 /nfs/dbraw/zinc/39/01/94/1078390194.db2.gz JJULBUGMYWLOQJ-JKSUJKDBSA-N 0 3 323.481 2.225 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC001498348285 1066647077 /nfs/dbraw/zinc/64/70/77/1066647077.db2.gz DJHOWGINGUCEMA-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1cscn1 ZINC001498660292 1066827750 /nfs/dbraw/zinc/82/77/50/1066827750.db2.gz DSTNFTKFZPKDEH-UHFFFAOYSA-N 0 3 301.843 2.266 20 30 DEEDHN CCCC[C@@H](N)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC001577403546 1066833118 /nfs/dbraw/zinc/83/31/18/1066833118.db2.gz BKTCJSBRAPFWIG-OAHLLOKOSA-N 0 3 300.406 2.177 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](CNCC#Cc2ccccc2)C2CC2)no1 ZINC001498724009 1066849316 /nfs/dbraw/zinc/84/93/16/1066849316.db2.gz LKLSIGJSDMFAHW-SFHVURJKSA-N 0 3 323.396 2.133 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001635649786 1078455474 /nfs/dbraw/zinc/45/54/74/1078455474.db2.gz RJIMUFAECXLPHJ-MRXNPFEDSA-N 0 3 318.417 2.330 20 30 DEEDHN CC[C@@H](CC(=O)NC[C@H](C)NCC#CCOC)c1ccccc1 ZINC001266982275 1078479686 /nfs/dbraw/zinc/47/96/86/1078479686.db2.gz AFLNNQICXCYBPN-IRXDYDNUSA-N 0 3 316.445 2.314 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC001266998434 1078488945 /nfs/dbraw/zinc/48/89/45/1078488945.db2.gz KLJSOTFWVGOWLV-CQSZACIVSA-N 0 3 322.474 2.123 20 30 DEEDHN CC#CCNC1(CNC(=O)CCCOc2ccccc2F)CC1 ZINC001499462019 1067229007 /nfs/dbraw/zinc/22/90/07/1067229007.db2.gz WGJKREGLKGSBCH-UHFFFAOYSA-N 0 3 318.392 2.246 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001499549587 1067253676 /nfs/dbraw/zinc/25/36/76/1067253676.db2.gz GQOCLWLZBMPMHK-LUKYLMHMSA-N 0 3 306.450 2.136 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001267012100 1078498605 /nfs/dbraw/zinc/49/86/05/1078498605.db2.gz VRXYSBCHHQCFHR-JTQLQIEISA-N 0 3 314.216 2.159 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2sc(Cl)nc2Cl)C1 ZINC001267025296 1078511382 /nfs/dbraw/zinc/51/13/82/1078511382.db2.gz ROGYDQRLUZTANU-QMMMGPOBSA-N 0 3 318.229 2.277 20 30 DEEDHN Cc1cccc(C)c1CN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001579754679 1067417024 /nfs/dbraw/zinc/41/70/24/1067417024.db2.gz KTYJVIYNUKNKQW-WUJZJPHMSA-N 0 3 311.429 2.401 20 30 DEEDHN Cn1ncc(NC(=O)[C@@H](N)CCCCC#N)c1-c1ccccc1 ZINC001580009080 1067471305 /nfs/dbraw/zinc/47/13/05/1067471305.db2.gz DPKGABBUQJOYCE-AWEZNQCLSA-N 0 3 311.389 2.437 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC001580049273 1067481702 /nfs/dbraw/zinc/48/17/02/1067481702.db2.gz MJOOCQMSTIXRMF-QMMMGPOBSA-N 0 3 306.313 2.208 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)OC ZINC001638401670 1078563708 /nfs/dbraw/zinc/56/37/08/1078563708.db2.gz TXYUOZDZVMQXPW-GJZGRUSLSA-N 0 3 310.438 2.265 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1cc(C)n(C)n1 ZINC001267139829 1078608537 /nfs/dbraw/zinc/60/85/37/1078608537.db2.gz LVLMYRHIETWZAT-ZDUSSCGKSA-N 0 3 306.454 2.315 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CC1(CC(=O)OC)CCCC1 ZINC001640020199 1078637538 /nfs/dbraw/zinc/63/75/38/1078637538.db2.gz RIMINVUDQJAQTO-UHFFFAOYSA-N 0 3 324.465 2.466 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cccnc1 ZINC001570584906 1068020234 /nfs/dbraw/zinc/02/02/34/1068020234.db2.gz RTYOACCFRBFEDC-CVEARBPZSA-N 0 3 307.397 2.230 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CCCCCCC1 ZINC001570619228 1068040723 /nfs/dbraw/zinc/04/07/23/1068040723.db2.gz VWGUYOACWUWEIY-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N(C)CCc2cnn(C)c2)CC1 ZINC001570734586 1068103116 /nfs/dbraw/zinc/10/31/16/1068103116.db2.gz XWISMNXEMHOXHR-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2(CCOCC)CCC2)C1 ZINC001570841865 1068137337 /nfs/dbraw/zinc/13/73/37/1068137337.db2.gz VERRZJUEDYIDJV-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)C1CN(CCc2ccnn2C)C1 ZINC001570852300 1068139819 /nfs/dbraw/zinc/13/98/19/1068139819.db2.gz SIEWAEXUKACMQM-CABCVRRESA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC001570905759 1068155702 /nfs/dbraw/zinc/15/57/02/1068155702.db2.gz ZMIHYAFRHZECID-ARFHVFGLSA-N 0 3 306.450 2.062 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001570951814 1068164652 /nfs/dbraw/zinc/16/46/52/1068164652.db2.gz CQXPQXOPAKNXMV-VXIBKDFQSA-N 0 3 313.445 2.478 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(OC)ccn1 ZINC001571292884 1068211847 /nfs/dbraw/zinc/21/18/47/1068211847.db2.gz TZCXCBRBJVSEPV-LBPRGKRZSA-N 0 3 311.813 2.331 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)C[C@H](OCC)C2CC2)cc1 ZINC001267211073 1078669404 /nfs/dbraw/zinc/66/94/04/1078669404.db2.gz STOYIOPFUCXTLZ-SFHVURJKSA-N 0 3 314.429 2.145 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(CC)n(C)n1 ZINC001571326750 1068222483 /nfs/dbraw/zinc/22/24/83/1068222483.db2.gz AGDHBDIGGUAMOK-GFCCVEGCSA-N 0 3 312.845 2.223 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)[C@H]1C ZINC001511169003 1068224660 /nfs/dbraw/zinc/22/46/60/1068224660.db2.gz GGMNNUIRANIWER-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CC1(C)CCCC1 ZINC001571385267 1068265983 /nfs/dbraw/zinc/26/59/83/1068265983.db2.gz DOYUKPZULZJEQN-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC1(C)CCCC1 ZINC001571385265 1068266500 /nfs/dbraw/zinc/26/65/00/1068266500.db2.gz DOYUKPZULZJEQN-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001267225090 1078678520 /nfs/dbraw/zinc/67/85/20/1078678520.db2.gz PFUKXZQOCLETKD-NWDGAFQWSA-N 0 3 312.335 2.441 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCC(=O)N1CCCCC1 ZINC001571405026 1068278125 /nfs/dbraw/zinc/27/81/25/1068278125.db2.gz XVFYOHULWCNTMN-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC1(CC(=O)N(C)C[C@@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001571409316 1068281441 /nfs/dbraw/zinc/28/14/41/1068281441.db2.gz KBRNTTQHHOYLSQ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1ccccc1[C@H](C)N[C@H](CO)CNC(=O)C#CC(C)(C)C ZINC001571428578 1068289311 /nfs/dbraw/zinc/28/93/11/1068289311.db2.gz LUPMXXKEXDZQOO-HOTGVXAUSA-N 0 3 316.445 2.172 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CO)NCc1cc(C)cc(C)c1 ZINC001571429887 1068289539 /nfs/dbraw/zinc/28/95/39/1068289539.db2.gz MHMQVQJGQVGHQK-KRWDZBQOSA-N 0 3 318.461 2.472 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001571439604 1068292783 /nfs/dbraw/zinc/29/27/83/1068292783.db2.gz KCUXSXFUMDWBNI-XJKSGUPXSA-N 0 3 320.408 2.310 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NCc2cc(C)ccc2C)C1 ZINC001571440075 1068293338 /nfs/dbraw/zinc/29/33/38/1068293338.db2.gz URCVUKHWRKLYKV-KRWDZBQOSA-N 0 3 316.445 2.226 20 30 DEEDHN CCc1nc(C)c(CN(CCCNC(=O)[C@H](C)C#N)C(C)C)o1 ZINC001267239125 1078689302 /nfs/dbraw/zinc/68/93/02/1078689302.db2.gz ALCAELPRSDGGEG-CYBMUJFWSA-N 0 3 320.437 2.422 20 30 DEEDHN C=CCC[C@H](C)[N@H+](CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001267242274 1078692851 /nfs/dbraw/zinc/69/28/51/1078692851.db2.gz ZNPSHESDMBXMHW-ZDUSSCGKSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001267242274 1078692854 /nfs/dbraw/zinc/69/28/54/1078692854.db2.gz ZNPSHESDMBXMHW-ZDUSSCGKSA-N 0 3 315.421 2.364 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(COC)cc2)C1 ZINC001571492653 1068349413 /nfs/dbraw/zinc/34/94/13/1068349413.db2.gz HGOQGKNRFGVJFS-YOEHRIQHSA-N 0 3 300.402 2.049 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cn2ccc3ccccc32)C1 ZINC001571493521 1068351735 /nfs/dbraw/zinc/35/17/35/1068351735.db2.gz RVUQLEVXFZDIQV-WBVHZDCISA-N 0 3 309.413 2.244 20 30 DEEDHN C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001571506563 1068365617 /nfs/dbraw/zinc/36/56/17/1068365617.db2.gz GWVFJSIMITXRTD-USXIJHARSA-N 0 3 312.413 2.246 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ccnc(NC(C)=O)c1)C(C)C ZINC001571615514 1068441224 /nfs/dbraw/zinc/44/12/24/1068441224.db2.gz UTELTEOYPGQBSC-UHFFFAOYSA-N 0 3 318.421 2.008 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cn2nccc2nc1C)C(C)C ZINC001571615008 1068441456 /nfs/dbraw/zinc/44/14/56/1068441456.db2.gz CAFWVBFDBYHHNK-UHFFFAOYSA-N 0 3 315.421 2.006 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)CCCOC)CC1 ZINC001571650087 1068459787 /nfs/dbraw/zinc/45/97/87/1068459787.db2.gz FMYFUDCNUSITRA-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001571655968 1068464155 /nfs/dbraw/zinc/46/41/55/1068464155.db2.gz DUTDNXUOZREPGM-JTTJXQCZSA-N 0 3 320.408 2.232 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001267270556 1078717339 /nfs/dbraw/zinc/71/73/39/1078717339.db2.gz KNSATSDNZBYWIZ-HNNXBMFYSA-N 0 3 305.422 2.028 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C[C@@H](OCC)C(=C)C)CC2)CC1 ZINC001571669221 1068471272 /nfs/dbraw/zinc/47/12/72/1068471272.db2.gz SFGULMRYZFKKRY-QGZVFWFLSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1ccc(Cl)cc1 ZINC001267281910 1078727851 /nfs/dbraw/zinc/72/78/51/1078727851.db2.gz ROFMWTQAMILNBI-CQSZACIVSA-N 0 3 308.809 2.485 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001571861844 1068556594 /nfs/dbraw/zinc/55/65/94/1068556594.db2.gz FZJJVPFNKLIYKE-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(C)CC#CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001643036674 1078781203 /nfs/dbraw/zinc/78/12/03/1078781203.db2.gz WDDAFGZDZZCDEY-UHFFFAOYSA-N 0 3 318.764 2.195 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001483681374 1078783823 /nfs/dbraw/zinc/78/38/23/1078783823.db2.gz HMGATKXXLPARAQ-JSGCOSHPSA-N 0 3 302.422 2.446 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1nnc(C)[nH]1 ZINC001272308559 1078797698 /nfs/dbraw/zinc/79/76/98/1078797698.db2.gz BTLMNDGWUQDDHW-ZIAGYGMSSA-N 0 3 319.453 2.090 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](NC[C@H](C)O)c2ccccc2)C1 ZINC001267370775 1078799959 /nfs/dbraw/zinc/79/99/59/1078799959.db2.gz UGPZSHMIOXBBQQ-GOEBONIOSA-N 0 3 302.418 2.171 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCOCC ZINC001515824767 1068900615 /nfs/dbraw/zinc/90/06/15/1068900615.db2.gz VTVGVBIXRGPVCT-OAHLLOKOSA-N 0 3 321.469 2.136 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@]1(C)CCCOC1)c1ccccc1 ZINC001267378155 1078809157 /nfs/dbraw/zinc/80/91/57/1078809157.db2.gz YGIOAEARXJSIGU-FUHWJXTLSA-N 0 3 302.418 2.436 20 30 DEEDHN COCC#CCNCCN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001493688994 1078829816 /nfs/dbraw/zinc/82/98/16/1078829816.db2.gz BUEZZDMNABKAHS-HNNXBMFYSA-N 0 3 320.408 2.017 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(OC)nc2)C1 ZINC001267465850 1078878798 /nfs/dbraw/zinc/87/87/98/1078878798.db2.gz JWNXAWKZOZKVBX-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001574851137 1069277097 /nfs/dbraw/zinc/27/70/97/1069277097.db2.gz ANKXEZSWPKLOKH-MCIONIFRSA-N 0 3 300.830 2.122 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1nc2cc(OC)ccc2[nH]1 ZINC001574852432 1069278009 /nfs/dbraw/zinc/27/80/09/1069278009.db2.gz SMCXKDZMKLIDJX-MWLCHTKSSA-N 0 3 322.796 2.219 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC001574902786 1069293246 /nfs/dbraw/zinc/29/32/46/1069293246.db2.gz GVPQSBWTFLRKKH-SMDDNHRTSA-N 0 3 304.394 2.038 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCSC[C@H]1c1nccs1 ZINC001574903039 1069293584 /nfs/dbraw/zinc/29/35/84/1069293584.db2.gz KECPBDZRGFRBMI-RYUDHWBXSA-N 0 3 311.476 2.443 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(NC(=O)OC)cc1 ZINC001574908216 1069295213 /nfs/dbraw/zinc/29/52/13/1069295213.db2.gz ICUSOVYJUCTPSO-CQSZACIVSA-N 0 3 305.378 2.165 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccn3ccnc23)C1 ZINC001267488073 1078914583 /nfs/dbraw/zinc/91/45/83/1078914583.db2.gz IREZKKLNCIGIOB-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNCc1cc(C)ccc1F ZINC001272495433 1078925777 /nfs/dbraw/zinc/92/57/77/1078925777.db2.gz DINSYJVVFSFSPQ-HNNXBMFYSA-N 0 3 322.424 2.303 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CCc1c[nH]cn1)c1ccccc1 ZINC001267518911 1078948932 /nfs/dbraw/zinc/94/89/32/1078948932.db2.gz AKASXZQGLVXLDE-KRWDZBQOSA-N 0 3 312.417 2.366 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3cnc4ccccn34)CC2)C1=O ZINC001272562188 1078962985 /nfs/dbraw/zinc/96/29/85/1078962985.db2.gz BFYMIOFQMSPPIZ-UHFFFAOYSA-N 0 3 324.428 2.335 20 30 DEEDHN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2N(C)C)ccc1C#N ZINC001645725915 1078973314 /nfs/dbraw/zinc/97/33/14/1078973314.db2.gz NEEQDGCAYMDJES-JKSUJKDBSA-N 0 3 321.446 2.018 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)cn1 ZINC001267567952 1079002304 /nfs/dbraw/zinc/00/23/04/1079002304.db2.gz RUYJSHUDVNDZFV-SMDADKPZSA-N 0 3 317.820 2.257 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001272652766 1079049896 /nfs/dbraw/zinc/04/98/96/1079049896.db2.gz CNCDHVMZCGBERR-INIZCTEOSA-N 0 3 300.377 2.177 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCN2CCN(C(C)C)CC2)CC1 ZINC001267574952 1079056804 /nfs/dbraw/zinc/05/68/04/1079056804.db2.gz YFBHLDNJSLBUJS-UHFFFAOYSA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)CCc2ccccc2F)CC1 ZINC001483768775 1079094481 /nfs/dbraw/zinc/09/44/81/1079094481.db2.gz OVFFZINAUMQDGL-CQSZACIVSA-N 0 3 302.393 2.266 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H]1CCCN1CCOC)c1ccccc1 ZINC001481072227 1079150439 /nfs/dbraw/zinc/15/04/39/1079150439.db2.gz SSWKYKXCXSMBDQ-IAGOWNOFSA-N 0 3 302.418 2.183 20 30 DEEDHN C=Cc1ccc(C(=O)NC[C@H]2CCN(CC#CCOC)C2)cc1 ZINC001481112404 1079197000 /nfs/dbraw/zinc/19/70/00/1079197000.db2.gz OYNVWMZKEXQPLQ-QGZVFWFLSA-N 0 3 312.413 2.031 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CN(C)Cc2ccccc2)CC1 ZINC001483975896 1079221502 /nfs/dbraw/zinc/22/15/02/1079221502.db2.gz CSJCHMOWUPQNMF-UHFFFAOYSA-N 0 3 315.461 2.275 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001481125267 1079222864 /nfs/dbraw/zinc/22/28/64/1079222864.db2.gz BTVNEYSBXIZFMU-SJORKVTESA-N 0 3 302.393 2.029 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001481124265 1079223812 /nfs/dbraw/zinc/22/38/12/1079223812.db2.gz OEWKNQPFIJLWHU-CHWSQXEVSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C(=O)c1ncoc1C)C1CCN(CC=C(C)C)CC1 ZINC001483979903 1079224203 /nfs/dbraw/zinc/22/42/03/1079224203.db2.gz CWHJQVDZKUHFNH-UHFFFAOYSA-N 0 3 315.417 2.489 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)SC)C2 ZINC001484019364 1079246003 /nfs/dbraw/zinc/24/60/03/1079246003.db2.gz BBOUBDNXDZWIJM-RDJZCZTQSA-N 0 3 308.491 2.466 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001484044916 1079263266 /nfs/dbraw/zinc/26/32/66/1079263266.db2.gz MWBBOYARZGURFG-YJBOKZPZSA-N 0 3 300.402 2.147 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cn2c(n1)CC[C@H](C)C2)C1CC1 ZINC001481174773 1079290720 /nfs/dbraw/zinc/29/07/20/1079290720.db2.gz XVZIAYBPOQFQMK-AWEZNQCLSA-N 0 3 316.449 2.236 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001484130316 1079315810 /nfs/dbraw/zinc/31/58/10/1079315810.db2.gz FQERIAIQLJICRH-QGZVFWFLSA-N 0 3 318.461 2.211 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001484141899 1079325695 /nfs/dbraw/zinc/32/56/95/1079325695.db2.gz NDLWSBXDXYPNQV-IAGOWNOFSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001556466193 1075032758 /nfs/dbraw/zinc/03/27/58/1075032758.db2.gz MSKJCEQJNZKKHT-UHFFFAOYSA-N 0 3 315.421 2.155 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2(C)CCCCCC2)C1 ZINC001484224280 1079361167 /nfs/dbraw/zinc/36/11/67/1079361167.db2.gz RMFGTRJBLKIUSX-GOSISDBHSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001565849710 1075196555 /nfs/dbraw/zinc/19/65/55/1075196555.db2.gz MWDAGQSHSAOKBI-INMHGKMJSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)CCCOC)C2)CC1 ZINC001565921173 1075206083 /nfs/dbraw/zinc/20/60/83/1075206083.db2.gz AZIIXYJXYZHLJF-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2csc(C)n2)[C@H]1CC ZINC001566024094 1075218343 /nfs/dbraw/zinc/21/83/43/1075218343.db2.gz PQRJWAXHDGIOHU-JKSUJKDBSA-N 0 3 319.474 2.377 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001566127657 1075233857 /nfs/dbraw/zinc/23/38/57/1075233857.db2.gz DQHYJULMTRHXPS-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(F)cc2ccncc21 ZINC001566454045 1075248609 /nfs/dbraw/zinc/24/86/09/1075248609.db2.gz LORSJFUWSTWONW-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCc1ccc(OC)c(F)c1 ZINC001566474051 1075253322 /nfs/dbraw/zinc/25/33/22/1075253322.db2.gz LRGAEUBUMQAZFE-UHFFFAOYSA-N 0 3 320.408 2.228 20 30 DEEDHN CCN(CCCNC(=O)C#CC1CC1)Cc1ccc(C#N)s1 ZINC001566550533 1075278192 /nfs/dbraw/zinc/27/81/92/1075278192.db2.gz LDSAIINDUOQIAZ-UHFFFAOYSA-N 0 3 315.442 2.361 20 30 DEEDHN CCN(CCCNC(=O)C#CC1CC1)[C@@H](C)c1cnc(C)cn1 ZINC001566550493 1075278452 /nfs/dbraw/zinc/27/84/52/1075278452.db2.gz KEKZQXNUISLUMK-HNNXBMFYSA-N 0 3 314.433 2.088 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)C[C@H](F)CC)nc1 ZINC001566572856 1075286004 /nfs/dbraw/zinc/28/60/04/1075286004.db2.gz IGEGIMJRZZDRAG-OAHLLOKOSA-N 0 3 305.397 2.253 20 30 DEEDHN COCC#CCN(CCCNC(=O)c1oc(C)cc1C)C1CC1 ZINC001566584772 1075289004 /nfs/dbraw/zinc/28/90/04/1075289004.db2.gz SPXMXYXWBDRYHC-UHFFFAOYSA-N 0 3 318.417 2.131 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ocnc1C(F)F)C1CC1 ZINC001566596306 1075292917 /nfs/dbraw/zinc/29/29/17/1075292917.db2.gz COYMGNSLPLHZSH-UHFFFAOYSA-N 0 3 311.332 2.220 20 30 DEEDHN CC(C)OCCN1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001566682389 1075315366 /nfs/dbraw/zinc/31/53/66/1075315366.db2.gz YSPZHSJZFORIRJ-SFHVURJKSA-N 0 3 314.429 2.044 20 30 DEEDHN CCC[C@@H](C)CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001566686124 1075317817 /nfs/dbraw/zinc/31/78/17/1075317817.db2.gz PYMMHPYJMOQLGW-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2oc(C)nc2C)C1 ZINC001566785163 1075343748 /nfs/dbraw/zinc/34/37/48/1075343748.db2.gz FUBLWBXZQQUTAQ-QEJZJMRPSA-N 0 3 321.421 2.009 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCOC(C)C)C1 ZINC001566825617 1075355058 /nfs/dbraw/zinc/35/50/58/1075355058.db2.gz XXCVRYSLGJNIBC-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1c(C)noc1C ZINC001566930529 1075391358 /nfs/dbraw/zinc/39/13/58/1075391358.db2.gz ZFKUPSWNXQISIB-OAHLLOKOSA-N 0 3 305.422 2.381 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCC(=O)N(C)CC ZINC001566948179 1075396844 /nfs/dbraw/zinc/39/68/44/1075396844.db2.gz PTYOAXPMNGBOER-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1cc(Cl)ccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001650083244 1079402074 /nfs/dbraw/zinc/40/20/74/1079402074.db2.gz NAHODKRXHRWCBU-JKSUJKDBSA-N 0 3 305.809 2.247 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc(CC(C)C)cc1 ZINC001567076380 1075428046 /nfs/dbraw/zinc/42/80/46/1075428046.db2.gz FGDAKKJRFFQMJB-INIZCTEOSA-N 0 3 316.445 2.243 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H](NCc2cc(C)n(C)n2)C1 ZINC001567163947 1075449436 /nfs/dbraw/zinc/44/94/36/1075449436.db2.gz IQBAPGUNKMMCTO-JKSUJKDBSA-N 0 3 316.449 2.049 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)n(C)c2C)C1 ZINC001567203844 1075463009 /nfs/dbraw/zinc/46/30/09/1075463009.db2.gz XURBJJXDTOSUPF-MRXNPFEDSA-N 0 3 301.434 2.202 20 30 DEEDHN Cc1cc(CN2CCC[C@H]2CCCNC(=O)[C@H](C)C#N)on1 ZINC001567246374 1075473194 /nfs/dbraw/zinc/47/31/94/1075473194.db2.gz DVUQNFOZBOJYRK-TZMCWYRMSA-N 0 3 304.394 2.004 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001567286220 1075487894 /nfs/dbraw/zinc/48/78/94/1075487894.db2.gz AOWXXUQZORCUDZ-INIZCTEOSA-N 0 3 301.434 2.234 20 30 DEEDHN Cc1cccnc1[C@H](C)NC[C@H](O)CC1(C#N)CCOCC1 ZINC001650156811 1079426093 /nfs/dbraw/zinc/42/60/93/1079426093.db2.gz UKHRNBHSNGKVGY-LSDHHAIUSA-N 0 3 303.406 2.112 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001267732729 1079423142 /nfs/dbraw/zinc/42/31/42/1079423142.db2.gz MFMIXCBLQYAFFB-HNNXBMFYSA-N 0 3 319.449 2.458 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267746370 1079445659 /nfs/dbraw/zinc/44/56/59/1079445659.db2.gz GVAFWMOTYUAPKM-CQSZACIVSA-N 0 3 321.421 2.153 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CC2CC(F)(F)C2)C1 ZINC001267768453 1079473128 /nfs/dbraw/zinc/47/31/28/1079473128.db2.gz OQWFAHBEYWDDPK-AWEZNQCLSA-N 0 3 316.392 2.157 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)COCc2ccccc2C)C1 ZINC001267772576 1079480804 /nfs/dbraw/zinc/48/08/04/1079480804.db2.gz DQYUOLSRHSNDPT-GOSISDBHSA-N 0 3 314.429 2.068 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267772915 1079481839 /nfs/dbraw/zinc/48/18/39/1079481839.db2.gz XXYRVYRIJDLWRC-BZUAXINKSA-N 0 3 318.417 2.118 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001267793037 1079499986 /nfs/dbraw/zinc/49/99/86/1079499986.db2.gz FCFOLKUPUXQKOV-MRXNPFEDSA-N 0 3 324.428 2.052 20 30 DEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)C(=O)Nc2ccccc2)C1 ZINC001267788135 1079495959 /nfs/dbraw/zinc/49/59/59/1079495959.db2.gz QMNQTSSAKQNMES-MRXNPFEDSA-N 0 3 315.417 2.124 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CC)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001267799422 1079502829 /nfs/dbraw/zinc/50/28/29/1079502829.db2.gz XKWVKYDRRPRGNX-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN N#CCc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC001581859657 1076104935 /nfs/dbraw/zinc/10/49/35/1076104935.db2.gz OIUAXBHLGSUWKW-UHFFFAOYSA-N 0 3 310.386 2.284 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001582725965 1076180726 /nfs/dbraw/zinc/18/07/26/1076180726.db2.gz ISIIMKLYJBORJP-WKILWMFISA-N 0 3 323.481 2.228 20 30 DEEDHN C#CC[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588350802 1076443064 /nfs/dbraw/zinc/44/30/64/1076443064.db2.gz QJDJEJZJQHWPBV-UHFFFAOYSA-N 0 3 313.405 2.369 20 30 DEEDHN C#CC[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588350802 1076443067 /nfs/dbraw/zinc/44/30/67/1076443067.db2.gz QJDJEJZJQHWPBV-UHFFFAOYSA-N 0 3 313.405 2.369 20 30 DEEDHN C#CC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588350802 1076443070 /nfs/dbraw/zinc/44/30/70/1076443070.db2.gz QJDJEJZJQHWPBV-UHFFFAOYSA-N 0 3 313.405 2.369 20 30 DEEDHN C#CC[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588350802 1076443074 /nfs/dbraw/zinc/44/30/74/1076443074.db2.gz QJDJEJZJQHWPBV-UHFFFAOYSA-N 0 3 313.405 2.369 20 30 DEEDHN C=C(C)CC[NH+]1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001588425096 1076447880 /nfs/dbraw/zinc/44/78/80/1076447880.db2.gz WALVWWPSCFBQBX-UHFFFAOYSA-N 0 3 316.384 2.094 20 30 DEEDHN C=C(C)CC[NH+]1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588425096 1076447882 /nfs/dbraw/zinc/44/78/82/1076447882.db2.gz WALVWWPSCFBQBX-UHFFFAOYSA-N 0 3 316.384 2.094 20 30 DEEDHN C=CCCC[N@@H+](CC)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001588602013 1076456999 /nfs/dbraw/zinc/45/69/99/1076456999.db2.gz YFDAHZIKWQFRMD-UHFFFAOYSA-N 0 3 311.393 2.303 20 30 DEEDHN C=CCCC[N@H+](CC)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001588602013 1076457004 /nfs/dbraw/zinc/45/70/04/1076457004.db2.gz 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C=CC[N@@H+](C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588627905 1076458372 /nfs/dbraw/zinc/45/83/72/1076458372.db2.gz LUXCLTOMPKTKBV-AWEZNQCLSA-N 0 3 301.394 2.187 20 30 DEEDHN CC(C)[N@H+](CCO[C@@H](C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588934081 1076470544 /nfs/dbraw/zinc/47/05/44/1076470544.db2.gz DGOZBRVPLAJHNX-ZDUSSCGKSA-N 0 3 314.393 2.006 20 30 DEEDHN CC(C)[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588934081 1076470547 /nfs/dbraw/zinc/47/05/47/1076470547.db2.gz DGOZBRVPLAJHNX-ZDUSSCGKSA-N 0 3 314.393 2.006 20 30 DEEDHN CC(C)[N@H+](CCO[C@@H](C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588934081 1076470550 /nfs/dbraw/zinc/47/05/50/1076470550.db2.gz DGOZBRVPLAJHNX-ZDUSSCGKSA-N 0 3 314.393 2.006 20 30 DEEDHN CC(C)[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588934081 1076470551 /nfs/dbraw/zinc/47/05/51/1076470551.db2.gz DGOZBRVPLAJHNX-ZDUSSCGKSA-N 0 3 314.393 2.006 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001329459351 1148897284 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C#Cc1cncc(C(=O)N[C@]2(CNCCF)CCCC[C@@H]2C)c1 ZINC001267874298 1079562569 /nfs/dbraw/zinc/56/25/69/1079562569.db2.gz SJXLSJBNAAUFLI-KSSFIOAISA-N 0 3 317.408 2.301 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCCOC2)cc1 ZINC001272682138 1079567389 /nfs/dbraw/zinc/56/73/89/1079567389.db2.gz IDJTXRXQHVTHPY-YJBOKZPZSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001484489593 1079627579 /nfs/dbraw/zinc/62/75/79/1079627579.db2.gz WVOVXTWIMQTUHX-UHFFFAOYSA-N 0 3 322.493 2.273 20 30 DEEDHN Cn1ncc2c1C[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)CC2 ZINC001650520440 1079688088 /nfs/dbraw/zinc/68/80/88/1079688088.db2.gz OZKVINYGJNUGER-JOYOIKCWSA-N 0 3 316.311 2.075 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H](C)c2ccco2)CCC1 ZINC001484660734 1079716200 /nfs/dbraw/zinc/71/62/00/1079716200.db2.gz OKSSORLWVMAHRK-HNNXBMFYSA-N 0 3 318.417 2.052 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CCO1 ZINC001484692106 1079724581 /nfs/dbraw/zinc/72/45/81/1079724581.db2.gz 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C=C(C)CN1CCC(CO)(NC(=O)c2cccc(C)c2)CC1 ZINC001485013832 1079918315 /nfs/dbraw/zinc/91/83/15/1079918315.db2.gz YSVDVMJCCUZNBF-UHFFFAOYSA-N 0 3 302.418 2.128 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)CCCCC(C)C)CC1 ZINC001485024499 1079921011 /nfs/dbraw/zinc/92/10/11/1079921011.db2.gz DXGDCLVPPTVYSG-UHFFFAOYSA-N 0 3 308.466 2.169 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001653456165 1079929850 /nfs/dbraw/zinc/92/98/50/1079929850.db2.gz GFMAAWPGFICNNG-UHFFFAOYSA-N 0 3 322.365 2.443 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)CC(F)(F)F ZINC001485051762 1079939657 /nfs/dbraw/zinc/93/96/57/1079939657.db2.gz PPYWEKLOAOJRDF-LBPRGKRZSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1c(C)noc1Cl ZINC001485071111 1079956453 /nfs/dbraw/zinc/95/64/53/1079956453.db2.gz JNDVYXNYHBWHKA-GFCCVEGCSA-N 0 3 311.813 2.288 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@@H](CN(C)CCF)C1 ZINC001481506150 1079967130 /nfs/dbraw/zinc/96/71/30/1079967130.db2.gz XTDFIGPBVPEHNK-AWEZNQCLSA-N 0 3 321.396 2.010 20 30 DEEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N1CCC(C)CC1 ZINC001268053702 1079976556 /nfs/dbraw/zinc/97/65/56/1079976556.db2.gz HFUCCTQNOHKHLB-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc(OCC)nc2)C1 ZINC001485094819 1079977091 /nfs/dbraw/zinc/97/70/91/1079977091.db2.gz NUTPZJBRZMYNNI-UHFFFAOYSA-N 0 3 323.824 2.331 20 30 DEEDHN C[C@@H](NCc1ccccc1F)[C@@H](C)NC(=O)CSCC#N ZINC001485124486 1080003272 /nfs/dbraw/zinc/00/32/72/1080003272.db2.gz LESOAAYEFHTICP-VXGBXAGGSA-N 0 3 309.410 2.065 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cccc(C(N)=O)c1 ZINC001485152568 1080017863 /nfs/dbraw/zinc/01/78/63/1080017863.db2.gz LSNWZKRYHLXOGK-ZIAGYGMSSA-N 0 3 317.433 2.125 20 30 DEEDHN N#Cc1ccc(NCCNCc2ccc(-c3cc[nH]n3)o2)nc1 ZINC001656019393 1080031841 /nfs/dbraw/zinc/03/18/41/1080031841.db2.gz PVXLENNPGJPSPQ-UHFFFAOYSA-N 0 3 308.345 2.138 20 30 DEEDHN C=CCCC(=O)N[C@@H](CN[C@@H](C)C(=O)N(C)C)C1CCCCC1 ZINC001268118226 1080087383 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C=CC(C)(C)C(=O)N[C@@H]1CCN([C@@H](CC)C(N)=O)CC(C)(C)C1 ZINC001657102270 1080156745 /nfs/dbraw/zinc/15/67/45/1080156745.db2.gz QIHDDBUGNGBFQN-KGLIPLIRSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN(C[C@@H](O)Cc2ccccc2)C1 ZINC001268169897 1080158638 /nfs/dbraw/zinc/15/86/38/1080158638.db2.gz NRSIYJWIGMEIJI-ROUUACIJSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCCCCN1CC[C@@]2(C1)CN([C@H](C)C(C)=O)C(=O)CO2 ZINC001272699436 1080175155 /nfs/dbraw/zinc/17/51/55/1080175155.db2.gz JJKBUXSZMYPRHN-CRAIPNDOSA-N 0 3 322.449 2.014 20 30 DEEDHN C[C@@H](C#N)CNCCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001657727795 1080183365 /nfs/dbraw/zinc/18/33/65/1080183365.db2.gz QEIRGFQCRJEKCO-ZDUSSCGKSA-N 0 3 311.426 2.200 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001485394059 1080190973 /nfs/dbraw/zinc/19/09/73/1080190973.db2.gz DYTBBUYANLDXLZ-KSSFIOAISA-N 0 3 302.418 2.097 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](NCc1cc(C)ncn1)C(C)C ZINC001268217610 1080202224 /nfs/dbraw/zinc/20/22/24/1080202224.db2.gz 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C=CCCN1CCN(CCCNC(=O)c2ccccc2)CC1 ZINC001660868693 1080410820 /nfs/dbraw/zinc/41/08/20/1080410820.db2.gz GYJLORVGFGWWQL-UHFFFAOYSA-N 0 3 301.434 2.000 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2cc(C)c(C)s2)CC1 ZINC001660946447 1080417156 /nfs/dbraw/zinc/41/71/56/1080417156.db2.gz FZRWKPCKEWNVTO-UHFFFAOYSA-N 0 3 321.490 2.288 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001481743124 1080424667 /nfs/dbraw/zinc/42/46/67/1080424667.db2.gz BESNEHWQRGFGOI-CVEARBPZSA-N 0 3 320.433 2.427 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1cc2cscc2s1 ZINC001485774122 1080426134 /nfs/dbraw/zinc/42/61/34/1080426134.db2.gz OTRLLBFVRWZAEH-UHFFFAOYSA-N 0 3 322.455 2.274 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CC(C)(C)CNCc2ccn(C)n2)C1 ZINC001282321294 1080442602 /nfs/dbraw/zinc/44/26/02/1080442602.db2.gz OJOTWEWIJQBGBS-UHFFFAOYSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC001481755103 1080444951 /nfs/dbraw/zinc/44/49/51/1080444951.db2.gz WNGSWCDCIVMSLM-IAGOWNOFSA-N 0 3 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ZINC001482033692 1080717333 /nfs/dbraw/zinc/71/73/33/1080717333.db2.gz NWAWJXAHHWMGOL-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN Cc1ncoc1CN1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001107336102 1080733673 /nfs/dbraw/zinc/73/36/73/1080733673.db2.gz HNONUFREQXUZTG-SRCQZFHVSA-N 0 3 316.405 2.004 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC1CCN(CC#Cc2ccccc2)CC1 ZINC001482040237 1080735269 /nfs/dbraw/zinc/73/52/69/1080735269.db2.gz KTXHRRYMYPWAEU-QGZVFWFLSA-N 0 3 323.440 2.416 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)CCOCc1ccccc1 ZINC001663377342 1080738102 /nfs/dbraw/zinc/73/81/02/1080738102.db2.gz NHXLGNJUHWRVJB-UHFFFAOYSA-N 0 3 316.445 2.301 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CC)Cc2ccc(CO)cc2)C1 ZINC001663423434 1080746271 /nfs/dbraw/zinc/74/62/71/1080746271.db2.gz SFQVNFSZBQPOKS-UHFFFAOYSA-N 0 3 316.445 2.473 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccc(CO)cc1 ZINC001663475920 1080752164 /nfs/dbraw/zinc/75/21/64/1080752164.db2.gz LTFCNSSOHDSVDF-KRWDZBQOSA-N 0 3 302.418 2.226 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cc1cccc2ncccc12 ZINC001268564169 1080762580 /nfs/dbraw/zinc/76/25/80/1080762580.db2.gz AHGFQSHIWIBEAL-PLNGDYQASA-N 0 3 307.397 2.063 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001663644358 1080795819 /nfs/dbraw/zinc/79/58/19/1080795819.db2.gz GCLVGRZZSMQYRD-JXFKEZNVSA-N 0 3 310.441 2.352 20 30 DEEDHN CC[C@@H](F)C(=O)NC/C=C\CNCc1ccc(OC)c(C#N)c1 ZINC001268576874 1080797927 /nfs/dbraw/zinc/79/79/27/1080797927.db2.gz XRFQDGWVPRTHTM-FOSCPCJNSA-N 0 3 319.380 2.077 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnn(CC(C)C)c1 ZINC001663688083 1080802772 /nfs/dbraw/zinc/80/27/72/1080802772.db2.gz JTKIQSPLMTXULH-UHFFFAOYSA-N 0 3 304.438 2.004 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c[nH]nc1[C@H]1CCCO1)C1CC1 ZINC001663749601 1080811317 /nfs/dbraw/zinc/81/13/17/1080811317.db2.gz PMFNUDSPGIJQAP-OAHLLOKOSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CCN(CCNC(=O)[C@@]1(C)CCOc2ccccc21)C1CC1 ZINC001663769490 1080813641 /nfs/dbraw/zinc/81/36/41/1080813641.db2.gz SOWMZZJBMRMJSA-IBGZPJMESA-N 0 3 314.429 2.493 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1cc(F)c[nH]1 ZINC001482122283 1080819484 /nfs/dbraw/zinc/81/94/84/1080819484.db2.gz BFHGOEISNMKZHR-LBPRGKRZSA-N 0 3 314.364 2.181 20 30 DEEDHN CCC[C@@H](OC)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001664111642 1080860710 /nfs/dbraw/zinc/86/07/10/1080860710.db2.gz OLJFMKWEPFCTKC-MRXNPFEDSA-N 0 3 321.396 2.060 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1c[nH]nc1C1CCCCC1 ZINC001664304411 1080892291 /nfs/dbraw/zinc/89/22/91/1080892291.db2.gz IFGJJJFRTPIKEQ-UHFFFAOYSA-N 0 3 302.422 2.142 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC/C=C/CNC[C@H](F)CC ZINC001268620656 1080898519 /nfs/dbraw/zinc/89/85/19/1080898519.db2.gz XPIPOXJOWACBQM-IWAYRVGRSA-N 0 3 302.393 2.221 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001268643869 1080912975 /nfs/dbraw/zinc/91/29/75/1080912975.db2.gz FUTWXHGXVJHXQR-YGRLFVJLSA-N 0 3 316.854 2.323 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CCc1ccncn1)c1ccccc1 ZINC001664578106 1080927801 /nfs/dbraw/zinc/92/78/01/1080927801.db2.gz 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C#CCOCCC(=O)N(C)[C@H](C)CN[C@H](C)c1ccccc1F ZINC001666899440 1081192201 /nfs/dbraw/zinc/19/22/01/1081192201.db2.gz WWDMXEJTDZAPSK-HUUCEWRRSA-N 0 3 320.408 2.363 20 30 DEEDHN Cc1conc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001667029825 1081203391 /nfs/dbraw/zinc/20/33/91/1081203391.db2.gz YJAOHTFNVFDTNX-OAHLLOKOSA-N 0 3 311.385 2.085 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1cccc(Cl)c1 ZINC001667038021 1081204640 /nfs/dbraw/zinc/20/46/40/1081204640.db2.gz CFKUREQQENXVLT-CYBMUJFWSA-N 0 3 308.809 2.040 20 30 DEEDHN CC(C)C[C@H](CNCc1cncc(F)c1)NC(=O)C#CC1CC1 ZINC001667085914 1081209993 /nfs/dbraw/zinc/20/99/93/1081209993.db2.gz FHJBYHJGZLDNOH-QGZVFWFLSA-N 0 3 317.408 2.255 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)C[C@@H]2CCCCO2)C1 ZINC001269318858 1081210874 /nfs/dbraw/zinc/21/08/74/1081210874.db2.gz RSIVMYZMUHIHGO-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN(CCOC2CCC2)C1 ZINC001269324012 1081212333 /nfs/dbraw/zinc/21/23/33/1081212333.db2.gz GGUMVHQOWGQCBF-INIZCTEOSA-N 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/nfs/dbraw/zinc/26/78/85/1081267885.db2.gz KCLROINRRGVUSY-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnc2ccc(F)cc2c1 ZINC001667647979 1081269440 /nfs/dbraw/zinc/26/94/40/1081269440.db2.gz PPTNWXNSPFCESJ-UHFFFAOYSA-N 0 3 313.376 2.401 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(N2CCCC2)c1 ZINC001667642901 1081269634 /nfs/dbraw/zinc/26/96/34/1081269634.db2.gz IBRCIKJNPIYRLR-UHFFFAOYSA-N 0 3 313.445 2.314 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)C1CCC(F)(F)CC1 ZINC001667631559 1081269804 /nfs/dbraw/zinc/26/98/04/1081269804.db2.gz NBOUBQQYLFPPQV-UHFFFAOYSA-N 0 3 318.408 2.405 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@]2(CCN(CC#CC)C2)C1)OCC ZINC001269732187 1081346760 /nfs/dbraw/zinc/34/67/60/1081346760.db2.gz PSKPFCCFAQTVHU-HKUYNNGSSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@H]1CC=CCC1)CC2 ZINC001482239710 1081352778 /nfs/dbraw/zinc/35/27/78/1081352778.db2.gz HJKXNXCCXRKWOH-KRWDZBQOSA-N 0 3 318.461 2.470 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc(C(F)(F)F)n1 ZINC001668593205 1081372017 /nfs/dbraw/zinc/37/20/17/1081372017.db2.gz WXHMTTOUYKYOLT-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C#CCNCCN(CC)C(=O)COc1c(C)cc(C)cc1C ZINC001668634132 1081374763 /nfs/dbraw/zinc/37/47/63/1081374763.db2.gz XCGSDTOYIWDCCV-UHFFFAOYSA-N 0 3 302.418 2.062 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001668922362 1081409916 /nfs/dbraw/zinc/40/99/16/1081409916.db2.gz IPOMOZHTMSCDED-AATRIKPKSA-N 0 3 307.397 2.442 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC[C@H](N[C@H](C)c2cnccn2)CC1 ZINC001269986232 1081418130 /nfs/dbraw/zinc/41/81/30/1081418130.db2.gz WYAGFRCZCOAMAQ-BZUAXINKSA-N 0 3 314.433 2.214 20 30 DEEDHN CCc1ncoc1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001669033747 1081421728 /nfs/dbraw/zinc/42/17/28/1081421728.db2.gz NXWKBHXMSAWTDL-ONEGZZNKSA-N 0 3 324.384 2.184 20 30 DEEDHN C=CC1(CC(=O)NC/C=C\CNCC#CCOC)CCCCC1 ZINC001669086086 1081426285 /nfs/dbraw/zinc/42/62/85/1081426285.db2.gz IKZOYYSLTIAQEA-FPLPWBNLSA-N 0 3 318.461 2.425 20 30 DEEDHN Cn1ccc(C(=O)N2CCC[C@@H]2CNCC#Cc2ccccc2)c1 ZINC001270028723 1081431719 /nfs/dbraw/zinc/43/17/19/1081431719.db2.gz UHQNYEURTACXLR-LJQANCHMSA-N 0 3 321.424 2.271 20 30 DEEDHN CCc1cc(C(=O)NC/C=C\CNCc2cccc(C#N)c2)no1 ZINC001669144851 1081431995 /nfs/dbraw/zinc/43/19/95/1081431995.db2.gz IARWLORUYPSLGH-ARJAWSKDSA-N 0 3 324.384 2.184 20 30 DEEDHN Cc1cnoc1C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270159310 1081463112 /nfs/dbraw/zinc/46/31/12/1081463112.db2.gz QLFFTXOZIRNSPD-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCO[C@H]1CC1(F)F ZINC001669862609 1081474943 /nfs/dbraw/zinc/47/49/43/1081474943.db2.gz NHSJGTTXLZEPLO-OLZOCXBDSA-N 0 3 318.408 2.449 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNCC=C(Cl)Cl ZINC001670253684 1081505681 /nfs/dbraw/zinc/50/56/81/1081505681.db2.gz KZZOBNCNTFGFHY-NEPJUHHUSA-N 0 3 321.248 2.335 20 30 DEEDHN C#CCN(C(=O)c1cnc(C)[nH]1)C1CCN(C[C@H](F)CC)CC1 ZINC001671464880 1081518238 /nfs/dbraw/zinc/51/82/38/1081518238.db2.gz BIWCHRYMPKZSAJ-CQSZACIVSA-N 0 3 320.412 2.006 20 30 DEEDHN C#CCN(C(=O)[C@@H](CC)OC)C1CCN(CC=C(C)C)CC1 ZINC001671460645 1081518257 /nfs/dbraw/zinc/51/82/57/1081518257.db2.gz JHEFCWPOBBAQQO-QGZVFWFLSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCCOCC1)C1CCN(CC(=C)C)CC1 ZINC001671473394 1081518828 /nfs/dbraw/zinc/51/88/28/1081518828.db2.gz AJLOAXJDAZWLMA-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN(C(=O)[C@@H](OC)C1CCCC1)C1CCN(CC=C)CC1 ZINC001671504182 1081520010 /nfs/dbraw/zinc/52/00/10/1081520010.db2.gz QUTCZZOTJITGQZ-SFHVURJKSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2ccoc2CC)C1 ZINC001671638363 1081528122 /nfs/dbraw/zinc/52/81/22/1081528122.db2.gz PNMLPUCQBABGBJ-QGZVFWFLSA-N 0 3 306.406 2.239 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2cc(F)cc(F)c2)C1 ZINC001671694744 1081534410 /nfs/dbraw/zinc/53/44/10/1081534410.db2.gz WRBWRKIDADCZHZ-MRXNPFEDSA-N 0 3 310.344 2.110 20 30 DEEDHN Cc1nc(C)c(CNC[C@]2(C)CCN(C(=O)C#CC(C)C)C2)o1 ZINC001671731476 1081535983 /nfs/dbraw/zinc/53/59/83/1081535983.db2.gz YMMMJIJHVVLCPD-SFHVURJKSA-N 0 3 317.433 2.279 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(CNCc2nccn2C)C1 ZINC001671779009 1081538360 /nfs/dbraw/zinc/53/83/60/1081538360.db2.gz AUFLFYKSYSKSER-ROUUACIJSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001270512309 1081540578 /nfs/dbraw/zinc/54/05/78/1081540578.db2.gz HTUNCCVPJZIKCL-IBGZPJMESA-N 0 3 318.461 2.307 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001671849637 1081543478 /nfs/dbraw/zinc/54/34/78/1081543478.db2.gz XLOKXSUJUCHQJY-QGZVFWFLSA-N 0 3 320.477 2.457 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001671854441 1081543732 /nfs/dbraw/zinc/54/37/32/1081543732.db2.gz SGUBLTRSLZRHOK-LJQANCHMSA-N 0 3 320.477 2.457 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)n[nH]c1C)C2 ZINC001111387334 1081559800 /nfs/dbraw/zinc/55/98/00/1081559800.db2.gz NALHGHJANPXIRO-OIISXLGYSA-N 0 3 316.449 2.257 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cnoc1C)C2 ZINC001672156728 1081562473 /nfs/dbraw/zinc/56/24/73/1081562473.db2.gz XGPZSYDXCYQTLU-UAGQMJEPSA-N 0 3 315.417 2.256 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnns1)c1ccccc1CC ZINC001672175992 1081563802 /nfs/dbraw/zinc/56/38/02/1081563802.db2.gz CMJYXCXYHHIDRA-CQSZACIVSA-N 0 3 316.430 2.347 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)COCCC=C)C2)CC1 ZINC001672170318 1081564015 /nfs/dbraw/zinc/56/40/15/1081564015.db2.gz DZMZRUUFZQXYQM-SFHVURJKSA-N 0 3 318.461 2.163 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)OCc2ccncc2)C1 ZINC001270632159 1081576098 /nfs/dbraw/zinc/57/60/98/1081576098.db2.gz IFGRUAIPNDNHEC-YJBOKZPZSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001270649486 1081581305 /nfs/dbraw/zinc/58/13/05/1081581305.db2.gz OKXFLRMAHHHEFH-SFHVURJKSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CN(CC)c2ccccc2)C1 ZINC001270655609 1081586509 /nfs/dbraw/zinc/58/65/09/1081586509.db2.gz DUQVQDJDDJFPKT-SFHVURJKSA-N 0 3 301.434 2.280 20 30 DEEDHN C=C(C)CCN1CCC[C@@](CO)(NC(=O)CSCCC)C1 ZINC001672477972 1081603588 /nfs/dbraw/zinc/60/35/88/1081603588.db2.gz VBBJTEAVHOAPPD-MRXNPFEDSA-N 0 3 314.495 2.039 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001482318246 1081608326 /nfs/dbraw/zinc/60/83/26/1081608326.db2.gz CMRDJMBBCDXURB-ZOWXZIJZSA-N 0 3 303.381 2.290 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCOCCC=C ZINC001672522957 1081609199 /nfs/dbraw/zinc/60/91/99/1081609199.db2.gz SOARZVVBDLHEIT-ZWKOTPCHSA-N 0 3 318.461 2.448 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cccc1 ZINC001672543545 1081611130 /nfs/dbraw/zinc/61/11/30/1081611130.db2.gz LHQOCQYGMJJWBQ-ROUUACIJSA-N 0 3 313.445 2.357 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC001672762283 1081624114 /nfs/dbraw/zinc/62/41/14/1081624114.db2.gz VHTXSNYLRNFLBU-LBPRGKRZSA-N 0 3 311.813 2.431 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](OCC)C2CC2)C1 ZINC001672795568 1081627546 /nfs/dbraw/zinc/62/75/46/1081627546.db2.gz DYBJGFPRGLUXSZ-HIFRSBDPSA-N 0 3 314.857 2.382 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001672942601 1081724934 /nfs/dbraw/zinc/72/49/34/1081724934.db2.gz FBMXEDRCZUFFPA-CCNMWVGKSA-N 0 3 324.424 2.010 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001673013419 1081732057 /nfs/dbraw/zinc/73/20/57/1081732057.db2.gz QRPSXRRGWFNPHF-UHFFFAOYSA-N 0 3 318.461 2.163 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCCc3ccccc31)C2 ZINC001095853194 1081747501 /nfs/dbraw/zinc/74/75/01/1081747501.db2.gz XKAZNIGMTDOJTG-XGXHKWSGSA-N 0 3 324.424 2.045 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)CCCCCC)CCO1 ZINC001673323048 1081754926 /nfs/dbraw/zinc/75/49/26/1081754926.db2.gz SFYADTYCRAFWKA-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N2CCN(CCC)CC2)C1 ZINC001673352458 1081757351 /nfs/dbraw/zinc/75/73/51/1081757351.db2.gz MFBDYWVZTNXPKV-IAGOWNOFSA-N 0 3 307.482 2.217 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)CC(C)(C)C1CC1 ZINC001673429631 1081770904 /nfs/dbraw/zinc/77/09/04/1081770904.db2.gz LXLBXQIHNZDUCC-UHFFFAOYSA-N 0 3 308.466 2.243 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccn(CC)n2)[C@H](C)C1 ZINC001482419204 1081809065 /nfs/dbraw/zinc/80/90/65/1081809065.db2.gz NVIYQJRLBDTZSZ-ZBFHGGJFSA-N 0 3 304.438 2.196 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2cscn2)C(C)(C)C1 ZINC001674034556 1081829261 /nfs/dbraw/zinc/82/92/61/1081829261.db2.gz VXQYCLRDGCCMOD-OAHLLOKOSA-N 0 3 319.474 2.316 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)CCCF)CC2)C1 ZINC001674279328 1081856864 /nfs/dbraw/zinc/85/68/64/1081856864.db2.gz DXRVFLWQLLTMFN-UHFFFAOYSA-N 0 3 312.429 2.396 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(OCC)no2)C1 ZINC001270974022 1081860711 /nfs/dbraw/zinc/86/07/11/1081860711.db2.gz JIYLBIDQGFCEHC-INIZCTEOSA-N 0 3 307.394 2.091 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H](C)OC ZINC001674420030 1081868907 /nfs/dbraw/zinc/86/89/07/1081868907.db2.gz ORTNROKPBACABX-MZMPZRCHSA-N 0 3 302.418 2.359 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NCc2ccccn2)cc1 ZINC001674710994 1081910110 /nfs/dbraw/zinc/91/01/10/1081910110.db2.gz VCDYOZXWOVQVRP-CABCVRRESA-N 0 3 307.397 2.360 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)CCCC(F)(F)F)CC1 ZINC001266292297 1081947621 /nfs/dbraw/zinc/94/76/21/1081947621.db2.gz CRRUPVYGWLLGDM-UHFFFAOYSA-N 0 3 321.387 2.029 20 30 DEEDHN Cc1cccc(C)c1CN1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001266302265 1081958061 /nfs/dbraw/zinc/95/80/61/1081958061.db2.gz MPGWMXLHOLTTEU-OAHLLOKOSA-N 0 3 317.458 2.251 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001266319996 1081968998 /nfs/dbraw/zinc/96/89/98/1081968998.db2.gz WVZADAXTKDJVCZ-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001266327887 1081975021 /nfs/dbraw/zinc/97/50/21/1081975021.db2.gz NSBAMSQZSJNXRQ-IUODEOHRSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1occc1Br ZINC001266339945 1081982680 /nfs/dbraw/zinc/98/26/80/1081982680.db2.gz CATRHNJZQYUKNW-UHFFFAOYSA-N 0 3 301.184 2.280 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001271183811 1081983269 /nfs/dbraw/zinc/98/32/69/1081983269.db2.gz FMCUOGOWLJXCNQ-IBGZPJMESA-N 0 3 316.445 2.382 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)CCc2cccs2)cn1 ZINC001266350751 1081991852 /nfs/dbraw/zinc/99/18/52/1081991852.db2.gz QTDSJPQIZAAPKW-UHFFFAOYSA-N 0 3 313.426 2.029 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001271220705 1081992937 /nfs/dbraw/zinc/99/29/37/1081992937.db2.gz QDUNTZISWDKXLO-CQSZACIVSA-N 0 3 322.371 2.094 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)c2ccco2)CC1 ZINC001266379887 1082008519 /nfs/dbraw/zinc/00/85/19/1082008519.db2.gz NZXBDNHAXODJGN-ZBFHGGJFSA-N 0 3 300.402 2.377 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)c1cc(C)[nH]c1C ZINC001271305260 1082009124 /nfs/dbraw/zinc/00/91/24/1082009124.db2.gz VWKDOZZDVRTQET-INIZCTEOSA-N 0 3 319.449 2.015 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C[C@@H](C=C)CC)C2)CC1 ZINC001671442454 1082017772 /nfs/dbraw/zinc/01/77/72/1082017772.db2.gz HOVWOFBLAUESPB-IRXDYDNUSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1cn(C)nc1C)C1CC1 ZINC001266428294 1082034208 /nfs/dbraw/zinc/03/42/08/1082034208.db2.gz BPJUOLOXZPYEDH-WMZOPIPTSA-N 0 3 318.465 2.315 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001266468213 1082056803 /nfs/dbraw/zinc/05/68/03/1082056803.db2.gz MDQYOJAHURUDDS-IAGOWNOFSA-N 0 3 316.449 2.074 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001266539970 1082135955 /nfs/dbraw/zinc/13/59/55/1082135955.db2.gz MLXWSVKMLJCUBM-MRXNPFEDSA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ocnc1CC ZINC001271819938 1082163793 /nfs/dbraw/zinc/16/37/93/1082163793.db2.gz XDGXGKDPXPOTJQ-UHFFFAOYSA-N 0 3 311.385 2.102 20 30 DEEDHN CO[C@@H](CN1CC[C@H]1CNC(=O)C#CC(C)(C)C)C1CCCC1 ZINC001670640180 1082202024 /nfs/dbraw/zinc/20/20/24/1082202024.db2.gz BSCFCYUFQBNWPF-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCC(=O)N[C@]1(CO)CCCN(CCc2ccccc2)C1 ZINC001271949260 1082205865 /nfs/dbraw/zinc/20/58/65/1082205865.db2.gz HRVZIYCEPIHNMF-LJQANCHMSA-N 0 3 316.445 2.138 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2n[nH]nc2c1)C(C)C ZINC001482567539 1082238842 /nfs/dbraw/zinc/23/88/42/1082238842.db2.gz BTVASFZOCLTBKE-CQSZACIVSA-N 0 3 321.812 2.054 20 30 DEEDHN Cc1noc(C)c1C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001266638852 1082239237 /nfs/dbraw/zinc/23/92/37/1082239237.db2.gz JEFIMCBIJIIIFP-UHFFFAOYSA-N 0 3 312.373 2.025 20 30 DEEDHN C=CCCC(=O)N(C)CCNC[C@@H](O)c1cc(F)ccc1F ZINC001266656997 1082252734 /nfs/dbraw/zinc/25/27/34/1082252734.db2.gz KRMDYFXSQSTFHK-OAHLLOKOSA-N 0 3 312.360 2.012 20 30 DEEDHN CSC[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001266660818 1082257103 /nfs/dbraw/zinc/25/71/03/1082257103.db2.gz UFKWAZPAMCSFOP-LBPRGKRZSA-N 0 3 323.437 2.244 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001266673929 1082270552 /nfs/dbraw/zinc/27/05/52/1082270552.db2.gz HEEOEDXNBBQVOA-WQVCFCJDSA-N 0 3 315.804 2.088 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2cccnc2OC)C1 ZINC001266687816 1082285502 /nfs/dbraw/zinc/28/55/02/1082285502.db2.gz APNOFCGUGBFYKV-GASCZTMLSA-N 0 3 303.406 2.183 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001266750583 1082320202 /nfs/dbraw/zinc/32/02/02/1082320202.db2.gz ZCUMHJWIERTYOJ-WMLDXEAASA-N 0 3 322.474 2.403 20 30 DEEDHN CO[C@H](CN(C)CCN(C)C(=O)C#CC(C)C)C1CCCC1 ZINC001482595177 1082330276 /nfs/dbraw/zinc/33/02/76/1082330276.db2.gz LWLNODJOKUJFJK-QGZVFWFLSA-N 0 3 308.466 2.241 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1c(Cl)cncc1Cl ZINC001266827183 1082374432 /nfs/dbraw/zinc/37/44/32/1082374432.db2.gz NCFBCRNCPBNWJQ-UHFFFAOYSA-N 0 3 300.189 2.073 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCC(=O)NC1CCCCC1 ZINC001266828020 1082375094 /nfs/dbraw/zinc/37/50/94/1082375094.db2.gz JVWBTNSFYHSKPD-GOSISDBHSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN(C)C[C@@H](O)Cc1ccccc1 ZINC001496757373 1082407563 /nfs/dbraw/zinc/40/75/63/1082407563.db2.gz DOCVVAMCABVBGA-KRWDZBQOSA-N 0 3 318.461 2.192 20 30 DEEDHN C#CCCCCC(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001266866222 1082411243 /nfs/dbraw/zinc/41/12/43/1082411243.db2.gz KTGOXAINLPOSOT-KRWDZBQOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC001266889505 1082432041 /nfs/dbraw/zinc/43/20/41/1082432041.db2.gz BOGQWYWHUNYWNU-HOCLYGCPSA-N 0 3 318.465 2.411 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)[nH]1 ZINC001418093607 1082452874 /nfs/dbraw/zinc/45/28/74/1082452874.db2.gz PVSYIJLSVHJSEH-AOOOYVTPSA-N 0 3 313.188 2.056 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ncc(Cl)n1C ZINC001482670206 1082454056 /nfs/dbraw/zinc/45/40/56/1082454056.db2.gz AKZJFODKIXBYPG-CHWSQXEVSA-N 0 3 324.856 2.414 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](CCC)c1ccccn1 ZINC001272092312 1082464155 /nfs/dbraw/zinc/46/41/55/1082464155.db2.gz BVVJSTVNUJANKE-INIZCTEOSA-N 0 3 301.434 2.379 20 30 DEEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)c1cccn1C ZINC001482810257 1082508374 /nfs/dbraw/zinc/50/83/74/1082508374.db2.gz PCWHNOWZTMESIB-CQSZACIVSA-N 0 3 310.401 2.195 20 30 DEEDHN COCC(C)(C)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001482855148 1082533117 /nfs/dbraw/zinc/53/31/17/1082533117.db2.gz VRHQESBBUOBHPF-AWEZNQCLSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCNC(=O)CNCCN(CC)C(=O)C1CCCCCCC1 ZINC001482938517 1082568782 /nfs/dbraw/zinc/56/87/82/1082568782.db2.gz AQUNXOBOKIYMEI-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)C#CC2CC2)cc1C ZINC001483006928 1082619456 /nfs/dbraw/zinc/61/94/56/1082619456.db2.gz BJBQEMKMIBADFL-ONEGZZNKSA-N 0 3 312.413 2.179 20 30 DEEDHN COCCC1(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001483134615 1082766614 /nfs/dbraw/zinc/76/66/14/1082766614.db2.gz KZIFSHPDHHCQAU-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)C(F)F ZINC001483165615 1082786746 /nfs/dbraw/zinc/78/67/46/1082786746.db2.gz BUVIAQGGWOHALE-CYBMUJFWSA-N 0 3 308.372 2.424 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C(C)C)CCC1 ZINC001483263439 1083063000 /nfs/dbraw/zinc/06/30/00/1083063000.db2.gz TYJUNHHSLNIJRH-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483329280 1083104989 /nfs/dbraw/zinc/10/49/89/1083104989.db2.gz AJNFHIMFGCOXMP-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ncn2cc(Cl)ccc12 ZINC001483339120 1083116283 /nfs/dbraw/zinc/11/62/83/1083116283.db2.gz CUOLFNKWPUPAKL-NSHDSACASA-N 0 3 306.797 2.224 20 30 DEEDHN CC/C(C)=C/C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107392998 1083369149 /nfs/dbraw/zinc/36/91/49/1083369149.db2.gz CKBBIULPPGFPNW-XSERWNATSA-N 0 3 318.461 2.353 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)N1C[C@H](N)[C@@H](F)C1 ZINC001238920988 1083405922 /nfs/dbraw/zinc/40/59/22/1083405922.db2.gz GKLVPXNHIZHSRA-KBPBESRZSA-N 0 3 308.463 2.438 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2cccc(Cl)c2)C1 ZINC001276421767 1083423817 /nfs/dbraw/zinc/42/38/17/1083423817.db2.gz NJDMNYYKOVWHBS-CYBMUJFWSA-N 0 3 304.821 2.342 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001276459499 1083448235 /nfs/dbraw/zinc/44/82/35/1083448235.db2.gz AXCWSUILTFCYFH-STQMWFEESA-N 0 3 318.465 2.218 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001276462208 1083451344 /nfs/dbraw/zinc/45/13/44/1083451344.db2.gz YOOJKOLZDJEWAT-YJBOKZPZSA-N 0 3 316.445 2.257 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](CN[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001276596320 1083507372 /nfs/dbraw/zinc/50/73/72/1083507372.db2.gz YEWVLTMMUBXYAA-BXUZGUMPSA-N 0 3 305.426 2.015 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c1[O-] ZINC001276685278 1083547115 /nfs/dbraw/zinc/54/71/15/1083547115.db2.gz WTYKOMQZINBRII-IBGZPJMESA-N 0 3 316.445 2.417 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c1[O-] ZINC001276685278 1083547122 /nfs/dbraw/zinc/54/71/22/1083547122.db2.gz WTYKOMQZINBRII-IBGZPJMESA-N 0 3 316.445 2.417 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2ccccn2)C1 ZINC001107687925 1083593873 /nfs/dbraw/zinc/59/38/73/1083593873.db2.gz WBALFHXKWBUSMH-YJBOKZPZSA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001276891229 1083667246 /nfs/dbraw/zinc/66/72/46/1083667246.db2.gz IOULPJHDAXCXDU-LBPRGKRZSA-N 0 3 310.829 2.152 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2cccn2C)C1 ZINC001107747373 1083668314 /nfs/dbraw/zinc/66/83/14/1083668314.db2.gz WYWFGYQZXKVLAW-YJBOKZPZSA-N 0 3 319.449 2.201 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccncc3OC)C2)C1=O ZINC001272749323 1083686342 /nfs/dbraw/zinc/68/63/42/1083686342.db2.gz LLDRAATVOWJLJV-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107804414 1083718016 /nfs/dbraw/zinc/71/80/16/1083718016.db2.gz NDTUNWCRGPAMDB-MAUKXSAKSA-N 0 3 322.449 2.243 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001077722969 1083746590 /nfs/dbraw/zinc/74/65/90/1083746590.db2.gz KRTLZGCDTHNLSM-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CCc1onc(C)c1CNCCC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001277148787 1083808951 /nfs/dbraw/zinc/80/89/51/1083808951.db2.gz VMZHQQQOBRCDCX-NWDGAFQWSA-N 0 3 306.410 2.080 20 30 DEEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NCc1ccnn1C ZINC001277225562 1083855790 /nfs/dbraw/zinc/85/57/90/1083855790.db2.gz VPUCFLBNLMCXMB-QAPCUYQASA-N 0 3 318.465 2.471 20 30 DEEDHN C#CCCCC(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001107903058 1083861480 /nfs/dbraw/zinc/86/14/80/1083861480.db2.gz QPFPRGXHWUCZCY-GOSISDBHSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C(N)=O)cc1 ZINC001277356094 1083924627 /nfs/dbraw/zinc/92/46/27/1083924627.db2.gz QCTJWVGMFZFSKP-GFCCVEGCSA-N 0 3 323.824 2.026 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CO[C@@H](C)CC)C2)C1 ZINC001277458877 1083981277 /nfs/dbraw/zinc/98/12/77/1083981277.db2.gz KUZLJBXMWYEDPT-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCc1cccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)c1[O-] ZINC001277463913 1083985421 /nfs/dbraw/zinc/98/54/21/1083985421.db2.gz QVHONBKMTFPMHG-QGZVFWFLSA-N 0 3 324.424 2.341 20 30 DEEDHN C=CCc1cccc(CN2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)c1O ZINC001277463913 1083985429 /nfs/dbraw/zinc/98/54/29/1083985429.db2.gz QVHONBKMTFPMHG-QGZVFWFLSA-N 0 3 324.424 2.341 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2CCC2)C1 ZINC001490987690 1083989944 /nfs/dbraw/zinc/98/99/44/1083989944.db2.gz WMOALRXAEXUHOT-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@@H](CCNCc1ccncc1Cl)NC(=O)C#CC1CC1 ZINC001272772483 1084004417 /nfs/dbraw/zinc/00/44/17/1084004417.db2.gz FQDXTDSMUSMFKM-LBPRGKRZSA-N 0 3 305.809 2.133 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)COCC2CCCC2)C1 ZINC001491110743 1084079971 /nfs/dbraw/zinc/07/99/71/1084079971.db2.gz RSCGEHCIDVFXCD-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001491128994 1084095528 /nfs/dbraw/zinc/09/55/28/1084095528.db2.gz FPGYOZHIDRZOHX-GJZGRUSLSA-N 0 3 302.393 2.391 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)COCCCC)C[C@H](C)O2 ZINC001111540078 1084096862 /nfs/dbraw/zinc/09/68/62/1084096862.db2.gz DGIAOGMNTGWJQM-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccoc2)CC2(CCOCC2)C1 ZINC001089923413 1084122671 /nfs/dbraw/zinc/12/26/71/1084122671.db2.gz FFYJCUSYSRAQHC-MRXNPFEDSA-N 0 3 318.417 2.457 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCOCC(F)(F)F ZINC001491213988 1084154059 /nfs/dbraw/zinc/15/40/59/1084154059.db2.gz MPKMESWIWBPIHL-GFCCVEGCSA-N 0 3 308.344 2.112 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OCC)C1CC1 ZINC001670956869 1084167425 /nfs/dbraw/zinc/16/74/25/1084167425.db2.gz WHCRIMUZHCNJLQ-IXDOHACOSA-N 0 3 306.450 2.443 20 30 DEEDHN Cc1noc(C)c1CNC[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001277851655 1084174333 /nfs/dbraw/zinc/17/43/33/1084174333.db2.gz NBAGDEBQDLDTRI-OAHLLOKOSA-N 0 3 317.433 2.422 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001491250699 1084181598 /nfs/dbraw/zinc/18/15/98/1084181598.db2.gz PGFPKQFCZKPOCR-MRXNPFEDSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@H](C)C2CC2)CC2(CCOCC2)C1 ZINC001089932016 1084208706 /nfs/dbraw/zinc/20/87/06/1084208706.db2.gz AFRFMDXLAMZRID-GDBMZVCRSA-N 0 3 306.450 2.206 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001277894388 1084211628 /nfs/dbraw/zinc/21/16/28/1084211628.db2.gz ZJHHAFWJENCFKB-SJORKVTESA-N 0 3 316.445 2.360 20 30 DEEDHN Cc1cc([O-])c2c(O[C@H](CC#N)C[N+](C)(C)C)cc(=O)cc-2o1 ZINC001234814007 1084211896 /nfs/dbraw/zinc/21/18/96/1084211896.db2.gz MMRWQYOVCWNEID-CYBMUJFWSA-O 0 3 317.365 2.126 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCC2CCOCC2)C1 ZINC001491297347 1084216855 /nfs/dbraw/zinc/21/68/55/1084216855.db2.gz QRHCQEJPQIEBKC-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCc2cccnc2)C1 ZINC001491293329 1084219194 /nfs/dbraw/zinc/21/91/94/1084219194.db2.gz UHZFVSUCSKEABC-AEFFLSMTSA-N 0 3 313.445 2.254 20 30 DEEDHN Cc1ccncc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272815671 1084243012 /nfs/dbraw/zinc/24/30/12/1084243012.db2.gz PIVQJJZWBOCTGQ-IAGOWNOFSA-N 0 3 312.417 2.259 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ocnc1C)CC2 ZINC001272819370 1084256827 /nfs/dbraw/zinc/25/68/27/1084256827.db2.gz WTFKVHZZXQHLGZ-UHFFFAOYSA-N 0 3 303.406 2.374 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001235073505 1084300730 /nfs/dbraw/zinc/30/07/30/1084300730.db2.gz UREMLAXZPSTMFZ-CQSZACIVSA-N 0 3 319.453 2.146 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235107577 1084312677 /nfs/dbraw/zinc/31/26/77/1084312677.db2.gz YLEGKWYNVZFHPV-LSDHHAIUSA-N 0 3 312.429 2.393 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001491453104 1084318682 /nfs/dbraw/zinc/31/86/82/1084318682.db2.gz VPDWOGJUCDCSCU-AWEZNQCLSA-N 0 3 318.465 2.416 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCNC[C@H](O)c1ccccc1F ZINC001128088037 1084320921 /nfs/dbraw/zinc/32/09/21/1084320921.db2.gz JHXYINPGQKSBGV-KRWDZBQOSA-N 0 3 320.408 2.333 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)[C@H](C)CC)C2)n1 ZINC001128089486 1084322387 /nfs/dbraw/zinc/32/23/87/1084322387.db2.gz JPGCTTMYNOYOGX-GDBMZVCRSA-N 0 3 316.449 2.098 20 30 DEEDHN CCn1ccnc1CN1CCC2(C1)CCN(CCC#N)CC2 ZINC001277939574 1084404954 /nfs/dbraw/zinc/40/49/54/1084404954.db2.gz XWICVEZXHGCNCI-UHFFFAOYSA-N 0 3 301.438 2.105 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cccc3cccnc32)C1=O ZINC001272875592 1084405907 /nfs/dbraw/zinc/40/59/07/1084405907.db2.gz RPHMQCLQIVQHFI-HXUWFJFHSA-N 0 3 319.408 2.435 20 30 DEEDHN N#CCCCN1CCCC2(CN(C(=O)Nc3cccnc3)C2)C1 ZINC001277945203 1084429973 /nfs/dbraw/zinc/42/99/73/1084429973.db2.gz QBZJCZCOUMJECS-UHFFFAOYSA-N 0 3 313.405 2.315 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cncc(COC)c1 ZINC001235453595 1084435668 /nfs/dbraw/zinc/43/56/68/1084435668.db2.gz DDNDWNKQLJHZII-QGZVFWFLSA-N 0 3 317.433 2.341 20 30 DEEDHN COc1ccnc(O[C@H]2CCN(Cc3ccccc3CC#N)C2)n1 ZINC001235526321 1084455765 /nfs/dbraw/zinc/45/57/65/1084455765.db2.gz CKDITUZCGOYMJP-INIZCTEOSA-N 0 3 324.384 2.205 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@H](NC(=O)C(C)(C)C)C2)n1 ZINC001128132640 1084462465 /nfs/dbraw/zinc/46/24/65/1084462465.db2.gz ITPZVLMJUXNYMD-HNNXBMFYSA-N 0 3 316.449 2.098 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001272926243 1084645873 /nfs/dbraw/zinc/64/58/73/1084645873.db2.gz HSDPWGJVCWLGEG-YPMHNXCESA-N 0 3 312.845 2.151 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CCC(C)(C)C1 ZINC001078481278 1084702688 /nfs/dbraw/zinc/70/26/88/1084702688.db2.gz OIJGUKOGJKTBSE-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](NC(C)=O)C12CCC2 ZINC001078514154 1084720100 /nfs/dbraw/zinc/72/01/00/1084720100.db2.gz JPOHXQIDNBQRKQ-DLBZAZTESA-N 0 3 313.401 2.104 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cccnc2)C12CCC2 ZINC001078518048 1084731423 /nfs/dbraw/zinc/73/14/23/1084731423.db2.gz FMTFTPQGMUXTDO-ZIAGYGMSSA-N 0 3 305.809 2.465 20 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/nfs/dbraw/zinc/89/09/13/1084890913.db2.gz MBTVDOSHUYAGAX-UONOGXRCSA-N 0 3 322.840 2.286 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001485901971 1084970531 /nfs/dbraw/zinc/97/05/31/1084970531.db2.gz PBHAKWVVAIQUEF-GUYCJALGSA-N 0 3 302.393 2.315 20 30 DEEDHN CCC[C@H](OC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001485908358 1084974059 /nfs/dbraw/zinc/97/40/59/1084974059.db2.gz QEOIRNFXWKTYDM-WMZOPIPTSA-N 0 3 316.445 2.290 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CO)NCc1ccc(C)cc1 ZINC001486001075 1085024321 /nfs/dbraw/zinc/02/43/21/1085024321.db2.gz YBEIVGZNQYSIJM-INIZCTEOSA-N 0 3 304.434 2.164 20 30 DEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)CCCF ZINC001486088429 1085052374 /nfs/dbraw/zinc/05/23/74/1085052374.db2.gz UXTUBEUEVRVMFT-RISCZKNCSA-N 0 3 309.410 2.448 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cncs2)[C@@H]1C ZINC001486075111 1085060472 /nfs/dbraw/zinc/06/04/72/1085060472.db2.gz GAHUVLAARFNFKJ-DZGCQCFKSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cc(C)ccc2OC)C1 ZINC001486122237 1085076754 /nfs/dbraw/zinc/07/67/54/1085076754.db2.gz XIPQOMWCLOMFNW-WBVHZDCISA-N 0 3 314.429 2.148 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(OC)cc2)C1 ZINC001486125510 1085078606 /nfs/dbraw/zinc/07/86/06/1085078606.db2.gz BSLRGHTZRBUDEO-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001486129946 1085079473 /nfs/dbraw/zinc/07/94/73/1085079473.db2.gz MUJMZPGCQAKORC-YOEHRIQHSA-N 0 3 309.413 2.394 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@@H](NCc3nccn3C)[C@H]2C1 ZINC001486156230 1085097763 /nfs/dbraw/zinc/09/77/63/1085097763.db2.gz LDJJXPVKSUUNNQ-HRCADAONSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCN(CCOCC(C)C)[C@H]1C ZINC001486172440 1085104656 /nfs/dbraw/zinc/10/46/56/1085104656.db2.gz ZXJJOABTCDVVHO-IRXDYDNUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnccn1 ZINC000960241857 1085159174 /nfs/dbraw/zinc/15/91/74/1085159174.db2.gz NQSCGEAGOPHXPN-NVXWUHKLSA-N 0 3 308.385 2.038 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)C[C@H]2CC=CCC2)CC1(C)C ZINC001486241086 1085160231 /nfs/dbraw/zinc/16/02/31/1085160231.db2.gz QQLKVLPXYWVIBT-IRXDYDNUSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC000960259448 1085169606 /nfs/dbraw/zinc/16/96/06/1085169606.db2.gz SRVSXFDUSAFDDQ-LSBZLQRGSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000960276214 1085177500 /nfs/dbraw/zinc/17/75/00/1085177500.db2.gz MVTDUVOULPVWFH-YFHUEUNASA-N 0 3 322.412 2.071 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1nc(C)cc1C ZINC000960282519 1085180831 /nfs/dbraw/zinc/18/08/31/1085180831.db2.gz IFLJTFQTHQJRKV-IEBWSBKVSA-N 0 3 324.428 2.058 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)c1cncnc1 ZINC000960297373 1085185300 /nfs/dbraw/zinc/18/53/00/1085185300.db2.gz VHEZQQBFDGLSSU-FSPWUOQZSA-N 0 3 322.412 2.138 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)C(F)F ZINC000960343056 1085206355 /nfs/dbraw/zinc/20/63/55/1085206355.db2.gz FVZVUXJXRPPSFV-AWEZNQCLSA-N 0 3 307.344 2.246 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001486359235 1085216521 /nfs/dbraw/zinc/21/65/21/1085216521.db2.gz SFIDZISFNKOGCP-RHSMWYFYSA-N 0 3 322.424 2.256 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H](C)CO1)C2 ZINC000964415269 1085217893 /nfs/dbraw/zinc/21/78/93/1085217893.db2.gz DXWWLSZPRWSJFJ-JUVQXVLNSA-N 0 3 312.841 2.181 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C(C)(C)C)cs1 ZINC000960397896 1085255281 /nfs/dbraw/zinc/25/52/81/1085255281.db2.gz NRNQCUIVDQEPPK-PJXYFTJBSA-N 0 3 305.447 2.287 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)CN(C)CCC)CC1 ZINC001486440904 1085324877 /nfs/dbraw/zinc/32/48/77/1085324877.db2.gz FTHSJBBVNAUJTG-CQSZACIVSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001486558768 1085425572 /nfs/dbraw/zinc/42/55/72/1085425572.db2.gz OUIJBWNGTINBKU-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2nc(C)sc2C)[C@H](OC)C1 ZINC001212451368 1085550465 /nfs/dbraw/zinc/55/04/65/1085550465.db2.gz VGXPZVBBEKQTJJ-ZIAGYGMSSA-N 0 3 323.462 2.155 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000961119700 1085592527 /nfs/dbraw/zinc/59/25/27/1085592527.db2.gz FZXCUNJGLAJBAT-UONOGXRCSA-N 0 3 322.840 2.336 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@H](OC)C1 ZINC001212465583 1085661663 /nfs/dbraw/zinc/66/16/63/1085661663.db2.gz NJNLGXWWKNPEIK-HUUCEWRRSA-N 0 3 305.422 2.027 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)c3ccccc23)[C@@H](O)C1 ZINC001083814648 1085682519 /nfs/dbraw/zinc/68/25/19/1085682519.db2.gz NLRVGENZRZIOKH-MOPGFXCFSA-N 0 3 324.424 2.499 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(O)c(OC)c1 ZINC001272964899 1085696763 /nfs/dbraw/zinc/69/67/63/1085696763.db2.gz SBQWDLHAKOWKEN-HUUCEWRRSA-N 0 3 316.401 2.152 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(F)cc(F)c3)C2)C1=O ZINC001272980033 1085767797 /nfs/dbraw/zinc/76/77/97/1085767797.db2.gz YJEPVOOKIFAQDX-KRWDZBQOSA-N 0 3 304.340 2.022 20 30 DEEDHN Cc1cc(C(=O)NC2CC(CNCc3ccccc3C#N)C2)no1 ZINC000961521763 1085769315 /nfs/dbraw/zinc/76/93/15/1085769315.db2.gz ZJVUJYNPYCBMJO-UHFFFAOYSA-N 0 3 324.384 2.153 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@@H]1CCc2ccccc2NC1=O ZINC001128409139 1085769635 /nfs/dbraw/zinc/76/96/35/1085769635.db2.gz UVQIEQMJRJXLIV-MRXNPFEDSA-N 0 3 315.417 2.002 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC001128417577 1085773970 /nfs/dbraw/zinc/77/39/70/1085773970.db2.gz BFSTVXYSUDBXKR-HNNXBMFYSA-N 0 3 311.470 2.082 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCc2cccnc21 ZINC001272987182 1085797986 /nfs/dbraw/zinc/79/79/86/1085797986.db2.gz YFJLMLFDGIMUCT-TZMCWYRMSA-N 0 3 307.825 2.348 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001272994035 1085835270 /nfs/dbraw/zinc/83/52/70/1085835270.db2.gz VYEARGGVKYLNDQ-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC3(CC3)C2)cc1 ZINC000961746304 1085850937 /nfs/dbraw/zinc/85/09/37/1085850937.db2.gz RWTJWWHEMVLNJH-PIIMJCKOSA-N 0 3 321.424 2.295 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C(C)C)nc1C ZINC000961979720 1085928450 /nfs/dbraw/zinc/92/84/50/1085928450.db2.gz IXBJKGJSHPQNHF-WDNDVIMCSA-N 0 3 303.406 2.343 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(N2CCCC2)c1 ZINC000962122314 1085972904 /nfs/dbraw/zinc/97/29/04/1085972904.db2.gz QUPBOLQBMXMHMJ-PIIMJCKOSA-N 0 3 311.429 2.133 20 30 DEEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cnn(C)c1C)CC2 ZINC001273018622 1085981546 /nfs/dbraw/zinc/98/15/46/1085981546.db2.gz JZAMMQCZSTTXFO-INIZCTEOSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)OCC ZINC001128527833 1086180240 /nfs/dbraw/zinc/18/02/40/1086180240.db2.gz CQDFJGZCSHELTM-KRWDZBQOSA-N 0 3 315.417 2.135 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3ccncn3)C2)C1=O ZINC001273115984 1086249460 /nfs/dbraw/zinc/24/94/60/1086249460.db2.gz FWZHPVUMUJNFFR-LJQANCHMSA-N 0 3 320.396 2.153 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC000962895313 1086267012 /nfs/dbraw/zinc/26/70/12/1086267012.db2.gz XTOJDOPDLUDMON-DCRVWYEPSA-N 0 3 308.425 2.341 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CCC)[C@@H](n2ccnn2)C1 ZINC001128643048 1086313697 /nfs/dbraw/zinc/31/36/97/1086313697.db2.gz XALCOXHWWSXTLU-CVEARBPZSA-N 0 3 321.469 2.390 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2ccc(F)c(C#N)c2)CCC1 ZINC001129120918 1086596897 /nfs/dbraw/zinc/59/68/97/1086596897.db2.gz JXIPLVSRCPIANV-UHFFFAOYSA-N 0 3 313.376 2.097 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001063498129 1087436441 /nfs/dbraw/zinc/43/64/41/1087436441.db2.gz MQCHLDZIGMKOAW-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001063740566 1087475971 /nfs/dbraw/zinc/47/59/71/1087475971.db2.gz MWCYNALAQWXQNT-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1ccc(C(C)C)cc1 ZINC001114529632 1088341794 /nfs/dbraw/zinc/34/17/94/1088341794.db2.gz SHYOBLNYEWARGE-DZFIZOCASA-N 0 3 314.429 2.421 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1C ZINC001079720906 1088352065 /nfs/dbraw/zinc/35/20/65/1088352065.db2.gz AOBBWFIXAFBAAT-VQHPVUNQSA-N 0 3 306.450 2.370 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001079789816 1088404477 /nfs/dbraw/zinc/40/44/77/1088404477.db2.gz YFYOEJNNNJCYDV-UKRRQHHQSA-N 0 3 321.490 2.436 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001080215484 1088687594 /nfs/dbraw/zinc/68/75/94/1088687594.db2.gz PNZOYASVDQOJKE-QMTHXVAHSA-N 0 3 314.389 2.076 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC000958082506 1088781354 /nfs/dbraw/zinc/78/13/54/1088781354.db2.gz YDGCURWNNYADJA-CMPLNLGQSA-N 0 3 314.838 2.000 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC000958082507 1088782359 /nfs/dbraw/zinc/78/23/59/1088782359.db2.gz YDGCURWNNYADJA-JQWIXIFHSA-N 0 3 314.838 2.000 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2csc3ccccc23)C1 ZINC000958297192 1088910377 /nfs/dbraw/zinc/91/03/77/1088910377.db2.gz OXIJLMICXMTIIG-WFASDCNBSA-N 0 3 316.426 2.110 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(OC)cc2F)C1 ZINC001080489057 1088996965 /nfs/dbraw/zinc/99/69/65/1088996965.db2.gz VVXJVLCWZBXKQC-IAQYHMDHSA-N 0 3 322.355 2.047 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2csc(Cl)c2)[C@H](O)C1 ZINC000958458015 1088999198 /nfs/dbraw/zinc/99/91/98/1088999198.db2.gz GWFOVJGSEOMJRD-VXGBXAGGSA-N 0 3 314.838 2.000 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC000958595475 1089080259 /nfs/dbraw/zinc/08/02/59/1089080259.db2.gz RZHORNHHOKCOEU-LSDHHAIUSA-N 0 3 320.433 2.003 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000958606856 1089091438 /nfs/dbraw/zinc/09/14/38/1089091438.db2.gz WAZRJPNVPDMKNA-VQHPVUNQSA-N 0 3 308.466 2.188 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC000958610367 1089092975 /nfs/dbraw/zinc/09/29/75/1089092975.db2.gz SANCEPYTFOJFRW-MSOLQXFVSA-N 0 3 316.445 2.409 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001080938499 1089248517 /nfs/dbraw/zinc/24/85/17/1089248517.db2.gz CLYWAAKZYLKKBN-UKRRQHHQSA-N 0 3 304.438 2.170 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1c1ccccc1 ZINC001081105144 1089353621 /nfs/dbraw/zinc/35/36/21/1089353621.db2.gz BYIHUWZSOHMGCH-ZWKOTPCHSA-N 0 3 323.371 2.052 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1c1ccccc1 ZINC001081111165 1089357889 /nfs/dbraw/zinc/35/78/89/1089357889.db2.gz IYLXTJIEJIQZQB-VIBWXPCQSA-N 0 3 319.408 2.245 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc[nH]c2CCC)[C@H](OC)C1 ZINC001082046697 1089670711 /nfs/dbraw/zinc/67/07/11/1089670711.db2.gz DEETYUUFLXZDDR-IAGOWNOFSA-N 0 3 319.449 2.362 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2cccs2)[C@H](OC)C1 ZINC001082126244 1089724035 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C=C1CCC(C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)CC1 ZINC001083183983 1090178854 /nfs/dbraw/zinc/17/88/54/1090178854.db2.gz IWOZPWRSWIZCJP-DLBZAZTESA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001083948946 1090181569 /nfs/dbraw/zinc/18/15/69/1090181569.db2.gz NEVWXXJQCWRZJG-KFWWJZLASA-N 0 3 322.474 2.288 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccccc2C2CCC2)[C@@H](O)C1 ZINC001084006629 1090192319 /nfs/dbraw/zinc/19/23/19/1090192319.db2.gz LWZHLDRCKLCLIC-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN CN1CC[C@]2(CCCN2Cc2c[nH]c3c2cccc3C#N)C1=O ZINC001273214707 1090221353 /nfs/dbraw/zinc/22/13/53/1090221353.db2.gz WOCFOINXGKVBRN-GOSISDBHSA-N 0 3 308.385 2.236 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cnoc3CC)[C@@H]2C1 ZINC001084693911 1090392619 /nfs/dbraw/zinc/39/26/19/1090392619.db2.gz DAYJYRXUGUSMFM-UKRRQHHQSA-N 0 3 303.406 2.350 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCCCO3)[C@@H]2C1 ZINC001084692789 1090394773 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C=CCN1CC[C@]2(CCN(Cc3c(F)cccc3OC)C2)C1=O ZINC001273322698 1091046464 /nfs/dbraw/zinc/04/64/64/1091046464.db2.gz QKHUVLURGUSODQ-SFHVURJKSA-N 0 3 318.392 2.445 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1[O-] ZINC001273325630 1091051872 /nfs/dbraw/zinc/05/18/72/1091051872.db2.gz OIVFZEQWXNGLAD-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncccc1[O-] ZINC001273325630 1091051879 /nfs/dbraw/zinc/05/18/79/1091051879.db2.gz OIVFZEQWXNGLAD-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(F)cc2ccncc21 ZINC001273383450 1091120960 /nfs/dbraw/zinc/12/09/60/1091120960.db2.gz ZXLPXWRFCSJXEI-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001274279263 1091164137 /nfs/dbraw/zinc/16/41/37/1091164137.db2.gz FFVNJGDVLFYBRJ-KBXCAEBGSA-N 0 3 312.417 2.176 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1cc2occc2s1 ZINC001274361638 1091207693 /nfs/dbraw/zinc/20/76/93/1091207693.db2.gz SZFAHXBHHDTTJA-IHWYPQMZSA-N 0 3 318.398 2.020 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COC2CCCC2)C(C)(C)C1 ZINC001274417965 1091231466 /nfs/dbraw/zinc/23/14/66/1091231466.db2.gz ZXAHEKNXLMIBRI-MRXNPFEDSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CCN(CC#CC)CC1(C)C ZINC001274425699 1091236695 /nfs/dbraw/zinc/23/66/95/1091236695.db2.gz OUAMBLFMTSOTRW-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1oc(C)nc1C)CC2 ZINC001274434701 1091242563 /nfs/dbraw/zinc/24/25/63/1091242563.db2.gz CPOGBCJQYOGVQG-UHFFFAOYSA-N 0 3 315.417 2.129 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(F)c(C)n3)C2)C1=O ZINC001274443974 1091246958 /nfs/dbraw/zinc/24/69/58/1091246958.db2.gz LFZAITZFLJDKES-QGZVFWFLSA-N 0 3 303.381 2.140 20 30 DEEDHN CN1CC[C@]2(CCN(Cc3ccc(C#N)c(Cl)c3)C2)C1=O ZINC001274491893 1091267923 /nfs/dbraw/zinc/26/79/23/1091267923.db2.gz CBLICCNEVCSVLR-MRXNPFEDSA-N 0 3 303.793 2.266 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)C[C@H](C=C)CC)C2)CC1 ZINC001280693417 1091312775 /nfs/dbraw/zinc/31/27/75/1091312775.db2.gz UUQZRFSXHGSOPF-MSOLQXFVSA-N 0 3 319.493 2.383 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001274732555 1091389231 /nfs/dbraw/zinc/38/92/31/1091389231.db2.gz ALWDBYMSQINRHK-CQSZACIVSA-N 0 3 304.438 2.036 20 30 DEEDHN Cc1ncsc1CN1CCC([C@H](C)NC(=O)[C@H](C)C#N)CC1 ZINC001411229648 1091445049 /nfs/dbraw/zinc/44/50/49/1091445049.db2.gz MIMRHKZAXYARNI-NEPJUHHUSA-N 0 3 320.462 2.328 20 30 DEEDHN CN1CCO[C@@]2(CCCN(CCCc3cccc(C#N)c3)C2)C1 ZINC001274891191 1091465306 /nfs/dbraw/zinc/46/53/06/1091465306.db2.gz XJLYHOHZBBCEDN-IBGZPJMESA-N 0 3 313.445 2.287 20 30 DEEDHN Cc1ncsc1CCN1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001494818645 1091478403 /nfs/dbraw/zinc/47/84/03/1091478403.db2.gz GITHTDCBFPOLDE-HNNXBMFYSA-N 0 3 319.474 2.186 20 30 DEEDHN C=CCCCN1C[C@@H]2OCCN(C(=O)[C@H]3C=CCC=C3C)[C@H]2C1 ZINC001274959489 1091493482 /nfs/dbraw/zinc/49/34/82/1091493482.db2.gz XZPBRNSXJASKBE-BZSNNMDCSA-N 0 3 316.445 2.387 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCOCC)CC[C@H]1C(F)(F)F ZINC001279173894 1091542873 /nfs/dbraw/zinc/54/28/73/1091542873.db2.gz PQEYHZPTSLXAIC-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001275088695 1091545657 /nfs/dbraw/zinc/54/56/57/1091545657.db2.gz YSXMVJXQAAPRDI-OAHLLOKOSA-N 0 3 318.417 2.131 20 30 DEEDHN C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001275088695 1091545666 /nfs/dbraw/zinc/54/56/66/1091545666.db2.gz YSXMVJXQAAPRDI-OAHLLOKOSA-N 0 3 318.417 2.131 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1ccn(C(C)C)n1 ZINC001276144044 1091595377 /nfs/dbraw/zinc/59/53/77/1091595377.db2.gz IBBWOSRSFOALLB-UHFFFAOYSA-N 0 3 312.845 2.197 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccns1 ZINC001275414566 1091729193 /nfs/dbraw/zinc/72/91/93/1091729193.db2.gz MAIRBRVRBOQZKH-KGLIPLIRSA-N 0 3 313.426 2.291 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(C(C)C)n1 ZINC001275471775 1091778834 /nfs/dbraw/zinc/77/88/34/1091778834.db2.gz UMPVRWNQJNQVDU-KBPBESRZSA-N 0 3 319.453 2.105 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCc2ccc(F)cc2)C1 ZINC001490843993 1091857065 /nfs/dbraw/zinc/85/70/65/1091857065.db2.gz VEAWMFBCBJSAEM-KRWDZBQOSA-N 0 3 302.393 2.362 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(C[C@H](C)C(=O)OC)C2 ZINC001273487027 1091877502 /nfs/dbraw/zinc/87/75/02/1091877502.db2.gz BKPUKMGEPAITMR-MAUKXSAKSA-N 0 3 322.449 2.219 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2c[nH]c3cnccc23)CC1 ZINC000948711245 1091894984 /nfs/dbraw/zinc/89/49/84/1091894984.db2.gz ODJRBSKHESLLKL-INIZCTEOSA-N 0 3 324.428 2.052 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001275607197 1091904451 /nfs/dbraw/zinc/90/44/51/1091904451.db2.gz MYIOXGLJFKRSJC-CJNGLKHVSA-N 0 3 306.406 2.005 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CO[C@H]1CCCC[C@H]1C ZINC001273565868 1091925345 /nfs/dbraw/zinc/92/53/45/1091925345.db2.gz LBEHHXRHYYGAPZ-SJORKVTESA-N 0 3 308.466 2.385 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C[C@H](C)c1ccco1 ZINC001273578745 1091933541 /nfs/dbraw/zinc/93/35/41/1091933541.db2.gz XYUHCSNMJACRFG-INIZCTEOSA-N 0 3 320.433 2.203 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnoc2CC)CC1 ZINC000948820807 1091957168 /nfs/dbraw/zinc/95/71/68/1091957168.db2.gz RQVPCRGDUGRETP-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CCCCC1)CCO2 ZINC000949011987 1092029673 /nfs/dbraw/zinc/02/96/73/1092029673.db2.gz UZJNSFNNHRHBAK-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)C(F)F)CCO2 ZINC000949186182 1092065159 /nfs/dbraw/zinc/06/51/59/1092065159.db2.gz RDMMMINPVSJFDL-UHFFFAOYSA-N 0 3 316.392 2.157 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H](C)C1)CCO2 ZINC000949204717 1092070437 /nfs/dbraw/zinc/07/04/37/1092070437.db2.gz KLBPSFPXOSAESD-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000949376082 1092127076 /nfs/dbraw/zinc/12/70/76/1092127076.db2.gz QQBQWPMDANCTHN-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN(C)C(=O)CN(C)C(C)C)CCC1 ZINC001487804356 1092223399 /nfs/dbraw/zinc/22/33/99/1092223399.db2.gz OEFPEFMULOVBGE-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001275936339 1092348017 /nfs/dbraw/zinc/34/80/17/1092348017.db2.gz OLKRKWXBEMOBFI-CQSZACIVSA-N 0 3 315.417 2.421 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cnn(CC2CCCC2)c1 ZINC001275963617 1092385205 /nfs/dbraw/zinc/38/52/05/1092385205.db2.gz QXCZFWKUXROUTJ-CQSZACIVSA-N 0 3 304.438 2.309 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@](CO)(NCc2ccccc2)C1 ZINC001273886752 1092479440 /nfs/dbraw/zinc/47/94/40/1092479440.db2.gz ZBTMDTDWEUJMLJ-LJQANCHMSA-N 0 3 316.445 2.486 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC[C@H](F)CC)C2)C1 ZINC001273911235 1092502390 /nfs/dbraw/zinc/50/23/90/1092502390.db2.gz NIHNAUGNDKAEHY-PBHICJAKSA-N 0 3 312.429 2.034 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001488759709 1092735399 /nfs/dbraw/zinc/73/53/99/1092735399.db2.gz AJMVOBLDPFZNQM-FPMFFAJLSA-N 0 3 319.453 2.261 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001488770733 1092742701 /nfs/dbraw/zinc/74/27/01/1092742701.db2.gz KKINXRMYIZPGDN-UWWQBHOKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2csnc2C)[C@H]1CC ZINC001489110018 1092921942 /nfs/dbraw/zinc/92/19/42/1092921942.db2.gz BQCYJMXNPRPGML-LSDHHAIUSA-N 0 3 323.462 2.237 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001489155583 1092957461 /nfs/dbraw/zinc/95/74/61/1092957461.db2.gz KUHCRUZZRLLQKB-KRWDZBQOSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCCCN(C(=O)C(C)(C)C)C1 ZINC001489240632 1093000668 /nfs/dbraw/zinc/00/06/68/1093000668.db2.gz PFVCJUCMDWOGRG-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccccc2)CC(C)(C)C1 ZINC001489349327 1093032714 /nfs/dbraw/zinc/03/27/14/1093032714.db2.gz GALFYBUIBTZELB-INIZCTEOSA-N 0 3 314.429 2.305 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(C)Cc2ccsc2)c1 ZINC001490246762 1093259895 /nfs/dbraw/zinc/25/98/95/1093259895.db2.gz PTKNURMYIIEUCM-UHFFFAOYSA-N 0 3 313.426 2.376 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cnn(C)c1 ZINC001490299098 1093281955 /nfs/dbraw/zinc/28/19/55/1093281955.db2.gz PVNWWSXPNGDBQG-WBVHZDCISA-N 0 3 316.449 2.083 20 30 DEEDHN CCN(CCCNC(=O)C#CC(C)C)Cc1scnc1C ZINC001490322763 1093311298 /nfs/dbraw/zinc/31/12/98/1093311298.db2.gz BFZKCHRFQDDTJV-UHFFFAOYSA-N 0 3 307.463 2.439 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC001490388252 1093340300 /nfs/dbraw/zinc/34/03/00/1093340300.db2.gz WCPUBUOFQOYDPY-KRWDZBQOSA-N 0 3 312.413 2.157 20 30 DEEDHN C=CCCCC(=O)N(C)C1CCN(CCc2cnn(C)c2)CC1 ZINC001490413567 1093370828 /nfs/dbraw/zinc/37/08/28/1093370828.db2.gz YNPZKPPDYYMNPJ-UHFFFAOYSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001490586842 1093432557 /nfs/dbraw/zinc/43/25/57/1093432557.db2.gz KKWCETBNPMTLPF-GFCCVEGCSA-N 0 3 320.355 2.112 20 30 DEEDHN CCC(C)(CC)C(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001490610580 1093445522 /nfs/dbraw/zinc/44/55/22/1093445522.db2.gz OTKVNRZJTXGPCL-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CCCC(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001490626228 1093451468 /nfs/dbraw/zinc/45/14/68/1093451468.db2.gz IIGWJGBRODSWDK-KRWDZBQOSA-N 0 3 302.393 2.462 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2CCCOc2ccccc2)C1=O ZINC001273968040 1093587366 /nfs/dbraw/zinc/58/73/66/1093587366.db2.gz GESSQZDHOOAMQC-LJQANCHMSA-N 0 3 312.413 2.156 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099516 1093798468 /nfs/dbraw/zinc/79/84/68/1093798468.db2.gz KYKVKJVFLOIZNZ-SFHVURJKSA-N 0 3 318.392 2.450 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099516 1093798473 /nfs/dbraw/zinc/79/84/73/1093798473.db2.gz KYKVKJVFLOIZNZ-SFHVURJKSA-N 0 3 318.392 2.450 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc2nccn21 ZINC001274156903 1093824179 /nfs/dbraw/zinc/82/41/79/1093824179.db2.gz ZIJSWCQZXPPEBT-HZPDHXFCSA-N 0 3 310.401 2.086 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001691736828 1138254376 /nfs/dbraw/zinc/25/43/76/1138254376.db2.gz GQQWYNVBFOGLHY-MCIONIFRSA-N 0 3 322.478 2.433 20 30 DEEDHN Cc1cnc2n1CCC21CCN(Cc2ccnc(C#N)c2)CC1 ZINC001237465561 1138644156 /nfs/dbraw/zinc/64/41/56/1138644156.db2.gz TYLWIUJALGVLON-UHFFFAOYSA-N 0 3 307.401 2.396 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C3(C)CCCC3)C2)CC1 ZINC001278102469 1138647642 /nfs/dbraw/zinc/64/76/42/1138647642.db2.gz RYHBNOWLCPDHIE-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(CCOc2ccc(F)cc2)CC1 ZINC001278107652 1138663281 /nfs/dbraw/zinc/66/32/81/1138663281.db2.gz YRIMEJOLQAGNPO-UHFFFAOYSA-N 0 3 318.392 2.151 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)N[C@@H](C)c1ccccc1C ZINC001278130226 1138745295 /nfs/dbraw/zinc/74/52/95/1138745295.db2.gz TXCVKRNMHJPIAN-LSDHHAIUSA-N 0 3 304.434 2.335 20 30 DEEDHN Cc1nc(C#N)cc(-c2cccc(CN3CCN(C)CC3)c2)n1 ZINC001240293135 1139323098 /nfs/dbraw/zinc/32/30/98/1139323098.db2.gz AWSPTRGBIMODOK-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001295488038 1139404577 /nfs/dbraw/zinc/40/45/77/1139404577.db2.gz GDQUNGIEMWZSTO-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CC[C@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2CC)C1 ZINC001352965491 1151800658 /nfs/dbraw/zinc/80/06/58/1151800658.db2.gz BCJWOIKACZIUGB-HOTGVXAUSA-N 0 3 315.465 2.347 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](C)CCOc1ccccc1 ZINC001491700302 1140260342 /nfs/dbraw/zinc/26/03/42/1140260342.db2.gz XLVFXKMEZRHRPP-JKSUJKDBSA-N 0 3 302.418 2.209 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](OC)c2ccccc2)C1 ZINC001318443965 1140330783 /nfs/dbraw/zinc/33/07/83/1140330783.db2.gz AAQDIRNJPGXOAZ-DLBZAZTESA-N 0 3 302.418 2.483 20 30 DEEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001318523361 1140358389 /nfs/dbraw/zinc/35/83/89/1140358389.db2.gz BBQORLPPMONISD-MRXNPFEDSA-N 0 3 313.376 2.095 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCC(=O)N(CC)CC)CC1 ZINC001318569767 1140366268 /nfs/dbraw/zinc/36/62/68/1140366268.db2.gz VXMPLRNBOHDMKU-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001318569656 1140366760 /nfs/dbraw/zinc/36/67/60/1140366760.db2.gz ILNNUFJYGBKGLT-CHWSQXEVSA-N 0 3 319.453 2.269 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CC)N[C@@H](C)C(=O)N(C)C)CCCC1 ZINC001318614833 1140374112 /nfs/dbraw/zinc/37/41/12/1140374112.db2.gz RUBADACMTXRTCD-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cncnc2C)C1 ZINC001318775718 1140410022 /nfs/dbraw/zinc/41/00/22/1140410022.db2.gz JNCPZDMIYHIAJV-CQSZACIVSA-N 0 3 322.840 2.369 20 30 DEEDHN COCC#CCNCc1ccc(CNC(=O)CCC(C)C)cc1 ZINC001318987369 1140485841 /nfs/dbraw/zinc/48/58/41/1140485841.db2.gz BDOJNCYKCAMSDK-UHFFFAOYSA-N 0 3 316.445 2.478 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)CO[C@@H](C)CC)cc1 ZINC001318991657 1140488414 /nfs/dbraw/zinc/48/84/14/1140488414.db2.gz XRYQFDJMQGOIHT-HNNXBMFYSA-N 0 3 302.418 2.231 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC001318999850 1140489102 /nfs/dbraw/zinc/48/91/02/1140489102.db2.gz DVJVIAIEQAEDGA-MAUKXSAKSA-N 0 3 314.429 2.088 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)C2CCC3(CC3)CC2)C1 ZINC001278390812 1140490243 /nfs/dbraw/zinc/49/02/43/1140490243.db2.gz KTQYXJHPQQQGDR-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCC(=O)NCCC1CCN(Cc2cncn2C)CC1 ZINC001319019053 1140491410 /nfs/dbraw/zinc/49/14/10/1140491410.db2.gz GPGROVYDXCEAAF-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN C=CCCC(=O)N1CCC2(CN(C[C@H]3CCCCO3)C2)CC1 ZINC001319395589 1140563610 /nfs/dbraw/zinc/56/36/10/1140563610.db2.gz WICBGGFNSWGUFP-MRXNPFEDSA-N 0 3 306.450 2.446 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H](C)N(C)C(=O)/C(C)=C\C ZINC001319439949 1140575303 /nfs/dbraw/zinc/57/53/03/1140575303.db2.gz QNVSISUBIJKWLC-RPZAIAHZSA-N 0 3 323.481 2.202 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1=CCCCCC1 ZINC001319448784 1140578628 /nfs/dbraw/zinc/57/86/28/1140578628.db2.gz QCODHNBQPPJMOQ-LSDHHAIUSA-N 0 3 321.465 2.004 20 30 DEEDHN CC(C)C[C@@H](CNCc1cncn1C)NC(=O)C#CC(C)(C)C ZINC001319609834 1140624596 /nfs/dbraw/zinc/62/45/96/1140624596.db2.gz OUYZEORJZKYTFL-HNNXBMFYSA-N 0 3 318.465 2.090 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(OC)c(F)c1 ZINC001320016359 1140812639 /nfs/dbraw/zinc/81/26/39/1140812639.db2.gz PAMZUOSTSWIMCH-UHFFFAOYSA-N 0 3 308.397 2.343 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCNCc1nsc2ccccc12 ZINC001320369794 1140856684 /nfs/dbraw/zinc/85/66/84/1140856684.db2.gz BLGZKJFEOWIIRE-RYUDHWBXSA-N 0 3 316.430 2.440 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCOc2ccc(OC)cc2)C1 ZINC001278444043 1140889715 /nfs/dbraw/zinc/88/97/15/1140889715.db2.gz NMUCGMHWTXAUAC-SFHVURJKSA-N 0 3 318.417 2.231 20 30 DEEDHN CCCC(=O)N(CC)CCNCc1ccc(OC)c(C#N)c1 ZINC001320667302 1140892104 /nfs/dbraw/zinc/89/21/04/1140892104.db2.gz MICROXYIOPQPSI-UHFFFAOYSA-N 0 3 303.406 2.305 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001321126769 1141061422 /nfs/dbraw/zinc/06/14/22/1141061422.db2.gz QEXSWGBBRMEPEL-CKXPSTMWSA-N 0 3 302.422 2.061 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001321420932 1141241552 /nfs/dbraw/zinc/24/15/52/1141241552.db2.gz UXEYYJXGYJPPES-BQYQJAHWSA-N 0 3 305.447 2.340 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001323224792 1141829563 /nfs/dbraw/zinc/82/95/63/1141829563.db2.gz DXYNRPYJVIUAPJ-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001323242684 1141832230 /nfs/dbraw/zinc/83/22/30/1141832230.db2.gz NMHOANWMKPYFIV-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001323293731 1141838499 /nfs/dbraw/zinc/83/84/99/1141838499.db2.gz OBJNFDCZUZFRNO-DLBZAZTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001323312406 1141841073 /nfs/dbraw/zinc/84/10/73/1141841073.db2.gz YWABVWNBRVLIBL-GOEBONIOSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1noc2ccc(F)cc12 ZINC001323319858 1141841408 /nfs/dbraw/zinc/84/14/08/1141841408.db2.gz SQDIHEOQUJHVDR-ZDUSSCGKSA-N 0 3 317.364 2.276 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)OC ZINC001323358506 1141845373 /nfs/dbraw/zinc/84/53/73/1141845373.db2.gz VBXXRNJNULYVDE-ZWKOTPCHSA-N 0 3 316.445 2.401 20 30 DEEDHN N#Cc1ccn2ncc(CN3CC[C@@H](COCC4CC4)C3)c2c1 ZINC001249112883 1141850568 /nfs/dbraw/zinc/85/05/68/1141850568.db2.gz ACIHAWRALBONDY-MRXNPFEDSA-N 0 3 310.401 2.454 20 30 DEEDHN CC#CCNC1(CNC(=O)COC[C@H](C)c2ccccc2)CC1 ZINC001323603169 1141868834 /nfs/dbraw/zinc/86/88/34/1141868834.db2.gz UBEGYCDPGNAQBA-INIZCTEOSA-N 0 3 314.429 2.068 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc(F)c(OC)c3)no2)CCCN1 ZINC001249353561 1141877664 /nfs/dbraw/zinc/87/76/64/1141877664.db2.gz PNWMIJFSTOYJGE-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN COc1ccc2[nH]c(CN3CCC4SC(=O)C=C4C3)nc2c1 ZINC001249412907 1141885348 /nfs/dbraw/zinc/88/53/48/1141885348.db2.gz ZELWUTPIDREXDY-AWEZNQCLSA-N 0 3 315.398 2.346 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc(OCC(=O)OCC)cc2)C1 ZINC001323784151 1141886360 /nfs/dbraw/zinc/88/63/60/1141886360.db2.gz CBZRICKVMWLVRG-KRWDZBQOSA-N 0 3 319.401 2.405 20 30 DEEDHN CN1CC2(CC1=O)CCN(Cc1cc3ccc(C#N)cc3[nH]1)CC2 ZINC001249430225 1141888972 /nfs/dbraw/zinc/88/89/72/1141888972.db2.gz IJFCCHDGJRIXHS-UHFFFAOYSA-N 0 3 322.412 2.484 20 30 DEEDHN C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001278520994 1141948249 /nfs/dbraw/zinc/94/82/49/1141948249.db2.gz LEABZFGCLSUKRP-UONOGXRCSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001278520994 1141948268 /nfs/dbraw/zinc/94/82/68/1141948268.db2.gz LEABZFGCLSUKRP-UONOGXRCSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@](C)(NC(=O)c2snnc2C)C1 ZINC001324572339 1142114046 /nfs/dbraw/zinc/11/40/46/1142114046.db2.gz GGVNYIKDQDUOJY-IAQYHMDHSA-N 0 3 308.451 2.395 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001278566443 1142183779 /nfs/dbraw/zinc/18/37/79/1142183779.db2.gz XOVJHVZKRUSHJZ-LSDHHAIUSA-N 0 3 304.438 2.151 20 30 DEEDHN N#CCC1CCN(C[C@@H](O)COc2ccc(F)cc2F)CC1 ZINC001250858221 1142338647 /nfs/dbraw/zinc/33/86/47/1142338647.db2.gz VGUPAFCPMGVNIR-CQSZACIVSA-N 0 3 310.344 2.330 20 30 DEEDHN Cc1ccccc1OC[C@@H](O)CNCc1csc(C#N)c1 ZINC001251746318 1142502839 /nfs/dbraw/zinc/50/28/39/1142502839.db2.gz WMKKPSFTLZWUMN-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C[C@H](O)CO ZINC001252062760 1142617231 /nfs/dbraw/zinc/61/72/31/1142617231.db2.gz OGYGYOYUMINLRD-KXBFYZLASA-N 0 3 310.397 2.475 20 30 DEEDHN CCCCCCCC[C@H](O)CN[C@H]1COCCC12OCCO2 ZINC001252133961 1142650554 /nfs/dbraw/zinc/65/05/54/1142650554.db2.gz MOFBZANXHKEEFG-HOTGVXAUSA-N 0 3 315.454 2.220 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CC(N2CCN(C)CC2)C1 ZINC001252133296 1142650763 /nfs/dbraw/zinc/65/07/63/1142650763.db2.gz NPDXLXAWMWOMBI-GOSISDBHSA-N 0 3 311.514 2.030 20 30 DEEDHN CCCCCCCC[C@@H](O)CN[C@]1(C)CCS(=O)(=O)C1 ZINC001252140209 1142655633 /nfs/dbraw/zinc/65/56/33/1142655633.db2.gz NDEBLMIURFTOSD-HUUCEWRRSA-N 0 3 305.484 2.265 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NC(=O)CN(CC)CC)CC1 ZINC001337438945 1142753348 /nfs/dbraw/zinc/75/33/48/1142753348.db2.gz VYCGMKSLZPQUSG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@](C)(O)CN1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001252550780 1142759019 /nfs/dbraw/zinc/75/90/19/1142759019.db2.gz OQNRLRAMCMJXRJ-GOSISDBHSA-N 0 3 301.434 2.359 20 30 DEEDHN COc1ccccc1OC[C@H](O)CNCc1csc(C#N)c1 ZINC001252911097 1142829068 /nfs/dbraw/zinc/82/90/68/1142829068.db2.gz YGNCUJIZPAZNEX-CYBMUJFWSA-N 0 3 318.398 2.158 20 30 DEEDHN CC(C)[C@](C)(C#N)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252943425 1142832778 /nfs/dbraw/zinc/83/27/78/1142832778.db2.gz FRLBJZIJLYRCQA-ZWKOTPCHSA-N 0 3 301.434 2.151 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001338694755 1142871264 /nfs/dbraw/zinc/87/12/64/1142871264.db2.gz ZHEZYAXXLXCRPW-ILXRZTDVSA-N 0 3 321.444 2.458 20 30 DEEDHN C=C[C@@H](O)CN[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001253566018 1142880871 /nfs/dbraw/zinc/88/08/71/1142880871.db2.gz VEVPHALPQHQEPS-CABCVRRESA-N 0 3 306.406 2.389 20 30 DEEDHN CC[C@@H](C)N1CCN(c2nnc(CCCCC#N)n2CC)CC1 ZINC001339312694 1143011095 /nfs/dbraw/zinc/01/10/95/1143011095.db2.gz QCADPHMINIQYPA-OAHLLOKOSA-N 0 3 318.469 2.455 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC001340032504 1143242109 /nfs/dbraw/zinc/24/21/09/1143242109.db2.gz CSAKYGQFUZSAGQ-GJZGRUSLSA-N 0 3 321.469 2.095 20 30 DEEDHN CC(C)C[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NO ZINC001254550216 1143244633 /nfs/dbraw/zinc/24/46/33/1143244633.db2.gz FVOVWZZPAMWBCB-YPMHNXCESA-N 0 3 309.366 2.036 20 30 DEEDHN COc1ccnc(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC001254678254 1143310654 /nfs/dbraw/zinc/31/06/54/1143310654.db2.gz ZYAIVORLPPLPIG-CHWSQXEVSA-N 0 3 302.378 2.021 20 30 DEEDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)[C@H]1CC[C@@H](C#N)C1 ZINC001254680220 1143312021 /nfs/dbraw/zinc/31/20/21/1143312021.db2.gz VAFHSHHWYPZXGM-QPSCCSFWSA-N 0 3 323.437 2.245 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001340456482 1143350028 /nfs/dbraw/zinc/35/00/28/1143350028.db2.gz KGHIYLXLECXNMB-RRFJBIMHSA-N 0 3 314.437 2.012 20 30 DEEDHN C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN(C(C)(C)C)CC1 ZINC001340585000 1143375544 /nfs/dbraw/zinc/37/55/44/1143375544.db2.gz ZSBXABUCWXKDOU-UONOGXRCSA-N 0 3 314.437 2.012 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC001340666107 1143393624 /nfs/dbraw/zinc/39/36/24/1143393624.db2.gz DSRYPAFYWKKQIL-HUUCEWRRSA-N 0 3 310.438 2.252 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CC(=O)NCCC1=CCCCC1 ZINC001341287618 1143578664 /nfs/dbraw/zinc/57/86/64/1143578664.db2.gz GNFGEKAUHYNOEV-INIZCTEOSA-N 0 3 321.465 2.135 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001341918175 1143742237 /nfs/dbraw/zinc/74/22/37/1143742237.db2.gz LAWDPJLFPMGUGJ-SQWLQELKSA-N 0 3 306.406 2.349 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1c(C)cccc1Cl ZINC001278873121 1143766592 /nfs/dbraw/zinc/76/65/92/1143766592.db2.gz AJPMCKBLRBGIRU-ZDUSSCGKSA-N 0 3 310.825 2.199 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]1OC ZINC001342049565 1143775995 /nfs/dbraw/zinc/77/59/95/1143775995.db2.gz SNSZGQKWFYRGJS-YRGRVCCFSA-N 0 3 316.357 2.158 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccccc1OC(C)C ZINC001278882702 1143804629 /nfs/dbraw/zinc/80/46/29/1143804629.db2.gz LSBIODORYXUOKK-HNNXBMFYSA-N 0 3 320.433 2.025 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001278889244 1143807033 /nfs/dbraw/zinc/80/70/33/1143807033.db2.gz PKQPZTHBPFXFIH-HNNXBMFYSA-N 0 3 316.445 2.034 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001342261554 1143807313 /nfs/dbraw/zinc/80/73/13/1143807313.db2.gz HGRASNKEPMHOIB-KBUPBQIOSA-N 0 3 314.437 2.010 20 30 DEEDHN CC(C)N(CCN(C)C[C@@H]1CCCCO1)C(=O)C#CC1CC1 ZINC001278904806 1143821918 /nfs/dbraw/zinc/82/19/18/1143821918.db2.gz VAWPIALUAGSCFN-KRWDZBQOSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ccnn1CC(F)F)C(C)C ZINC001278907267 1143825544 /nfs/dbraw/zinc/82/55/44/1143825544.db2.gz AVIXDVFBUNZDNA-UHFFFAOYSA-N 0 3 314.380 2.117 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](NC(=O)/C(C)=C/CC)C(C)(C)C ZINC001278945009 1143852141 /nfs/dbraw/zinc/85/21/41/1143852141.db2.gz FVYBXSRSBFHSKG-XEZFYOOLSA-N 0 3 323.481 2.154 20 30 DEEDHN C=C/C(C)=C\CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001278954115 1143860112 /nfs/dbraw/zinc/86/01/12/1143860112.db2.gz SZFCILFBYFESCP-CEUVZMNISA-N 0 3 316.445 2.128 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCc2cccnc2)CC1 ZINC001279089841 1143991815 /nfs/dbraw/zinc/99/18/15/1143991815.db2.gz RNSZESNFJJOFOX-MRXNPFEDSA-N 0 3 313.445 2.254 20 30 DEEDHN C=CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001259927853 1144159311 /nfs/dbraw/zinc/15/93/11/1144159311.db2.gz ZKFZUJNUNIDGMY-QGZVFWFLSA-N 0 3 320.458 2.100 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@@H](CF)C1 ZINC001262970814 1144346910 /nfs/dbraw/zinc/34/69/10/1144346910.db2.gz SXBLBSYLZFRZMR-LSDHHAIUSA-N 0 3 321.444 2.459 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)NCc1cnc2n1CCOC2 ZINC001263257706 1144363740 /nfs/dbraw/zinc/36/37/40/1144363740.db2.gz AREDCPACQBYTQC-HNNXBMFYSA-N 0 3 322.453 2.107 20 30 DEEDHN Cc1nc2ccc(Cl)cn2c1NC(=O)[C@H](N)CCCC#N ZINC001263268010 1144364459 /nfs/dbraw/zinc/36/44/59/1144364459.db2.gz UUKQKGYOABOPOQ-LLVKDONJSA-N 0 3 305.769 2.256 20 30 DEEDHN C=C[C@](C)(CCOC)COC(=O)C1CCCN(C2CC2)C1=O ZINC001263471532 1144376444 /nfs/dbraw/zinc/37/64/44/1144376444.db2.gz FTQHZHNVKXZKSL-WMLDXEAASA-N 0 3 309.406 2.159 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)COC1CC1)c1ccccc1 ZINC001263479747 1144376897 /nfs/dbraw/zinc/37/68/97/1144376897.db2.gz IFJXTDQVVIFERP-GJZGRUSLSA-N 0 3 300.358 2.142 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@H]1c1ccccc1 ZINC001263885542 1144420156 /nfs/dbraw/zinc/42/01/56/1144420156.db2.gz BIYCQWYKGXHKPY-BPQIPLTHSA-N 0 3 316.445 2.308 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CC[C@@H](NCc2cc(C)no2)C1 ZINC001263898547 1144421791 /nfs/dbraw/zinc/42/17/91/1144421791.db2.gz WYEAGWKVSVLCMN-LSDHHAIUSA-N 0 3 303.406 2.161 20 30 DEEDHN CCCCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001264180524 1144498025 /nfs/dbraw/zinc/49/80/25/1144498025.db2.gz HQRJRVNFLSDDCW-CVEARBPZSA-N 0 3 309.454 2.276 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cc(F)ccc1OC ZINC001264375262 1144517472 /nfs/dbraw/zinc/51/74/72/1144517472.db2.gz XXLKIJFFIFLVGJ-INIZCTEOSA-N 0 3 320.408 2.486 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001264431280 1144539354 /nfs/dbraw/zinc/53/93/54/1144539354.db2.gz XMESMPFLCDBXFA-KOMQPUFPSA-N 0 3 302.422 2.126 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001264696760 1144595292 /nfs/dbraw/zinc/59/52/92/1144595292.db2.gz BTRVDWUOTWCBFV-UWWQBHOKSA-N 0 3 302.418 2.093 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001264714458 1144598360 /nfs/dbraw/zinc/59/83/60/1144598360.db2.gz VYYKGQDKIWCGGA-SJORKVTESA-N 0 3 316.449 2.046 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)[C@H]1C ZINC001264724987 1144600716 /nfs/dbraw/zinc/60/07/16/1144600716.db2.gz QFIWWPVECRMSQV-BPQIPLTHSA-N 0 3 313.445 2.424 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(C)Cc2ncccc2C)nc1 ZINC001265059737 1144634116 /nfs/dbraw/zinc/63/41/16/1144634116.db2.gz HVAVVVDQGIHTJZ-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN CC#CCN(CCCNC(=O)CCc1cscn1)C1CC1 ZINC001265183739 1144662176 /nfs/dbraw/zinc/66/21/76/1144662176.db2.gz DLWNBJHFWIJACY-UHFFFAOYSA-N 0 3 305.447 2.070 20 30 DEEDHN CCCCCCN1CCN(CCCNC(=O)C#CC2CC2)CC1 ZINC001265243137 1144675295 /nfs/dbraw/zinc/67/52/95/1144675295.db2.gz HAFYHCQYXIUAKZ-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)CCn2ccnc2)CC1 ZINC001265340294 1144696050 /nfs/dbraw/zinc/69/60/50/1144696050.db2.gz MHMSSIQWCJCBOU-UHFFFAOYSA-N 0 3 304.438 2.162 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001265376354 1144699652 /nfs/dbraw/zinc/69/96/52/1144699652.db2.gz LYTISNBWJISESV-KRWDZBQOSA-N 0 3 323.396 2.133 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001265432134 1144703763 /nfs/dbraw/zinc/70/37/63/1144703763.db2.gz APCMVQPQGIVQLZ-INIZCTEOSA-N 0 3 307.397 2.371 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCCc2csc(C)n2)C1 ZINC001265582116 1144715118 /nfs/dbraw/zinc/71/51/18/1144715118.db2.gz LWIDPKXXIDGMJW-OAHLLOKOSA-N 0 3 319.474 2.236 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)COC1CCCCC1 ZINC001265646465 1144721949 /nfs/dbraw/zinc/72/19/49/1144721949.db2.gz BBZYRHLDLSCTDA-MRXNPFEDSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001265657934 1144723791 /nfs/dbraw/zinc/72/37/91/1144723791.db2.gz NODQDQSRUAXSAU-QZTJIDSGSA-N 0 3 315.461 2.446 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)NCc1cn(C(C)C)nc1C ZINC001265769113 1144739390 /nfs/dbraw/zinc/73/93/90/1144739390.db2.gz ORMKRBSOWJXSTH-AWEZNQCLSA-N 0 3 304.438 2.170 20 30 DEEDHN C=C1CCC(C(=O)NCCCN(CC)[C@@H](C)C(=O)N(C)C)CC1 ZINC001266080572 1144803478 /nfs/dbraw/zinc/80/34/78/1144803478.db2.gz MOZYRJDMNPKXNP-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C2(CC)CCOCC2)CC1 ZINC001279164705 1144819073 /nfs/dbraw/zinc/81/90/73/1144819073.db2.gz WECKLMLUVFVMMN-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC001279304472 1144820457 /nfs/dbraw/zinc/82/04/57/1144820457.db2.gz IPWNKKNHJMMFMP-GOSISDBHSA-N 0 3 314.429 2.197 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C1CC(OC)C1 ZINC001279312688 1144820653 /nfs/dbraw/zinc/82/06/53/1144820653.db2.gz ZWXKWCNELMBDLT-UHFFFAOYSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001279518888 1144823628 /nfs/dbraw/zinc/82/36/28/1144823628.db2.gz NZUYETNKLYYLNC-SJLPKXTDSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2OCC)c(F)c1 ZINC001279703485 1144827543 /nfs/dbraw/zinc/82/75/43/1144827543.db2.gz GOCLMRCMIUBGIO-GDBMZVCRSA-N 0 3 306.381 2.143 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cccn1C ZINC001280316286 1144835487 /nfs/dbraw/zinc/83/54/87/1144835487.db2.gz YLVGGRXOJMBUEO-UHFFFAOYSA-N 0 3 309.413 2.410 20 30 DEEDHN C#CCNC1(CNC(=O)CCCc2ccc(F)cc2)CCC1 ZINC001280508136 1144843125 /nfs/dbraw/zinc/84/31/25/1144843125.db2.gz SQWRIQIGGHCQBY-UHFFFAOYSA-N 0 3 302.393 2.410 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001280757348 1144853402 /nfs/dbraw/zinc/85/34/02/1144853402.db2.gz VGUPMTYDQMUPRO-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC001280760837 1144853683 /nfs/dbraw/zinc/85/36/83/1144853683.db2.gz SMPVRERBHQFUBE-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ncnc2sccc21 ZINC001280813156 1144857856 /nfs/dbraw/zinc/85/78/56/1144857856.db2.gz BEUBWIRAAFFGQA-UHFFFAOYSA-N 0 3 316.430 2.109 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001281167008 1144875680 /nfs/dbraw/zinc/87/56/80/1144875680.db2.gz IKPQCTJDEQSYCM-APWZRJJASA-N 0 3 320.477 2.169 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001281184713 1144876601 /nfs/dbraw/zinc/87/66/01/1144876601.db2.gz NTPTZKUNVLMVKB-IEBWSBKVSA-N 0 3 322.493 2.415 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001281293361 1144881132 /nfs/dbraw/zinc/88/11/32/1144881132.db2.gz QGHWGZHUDBYWSR-SFHVURJKSA-N 0 3 302.418 2.354 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2nccnc2C)cc1 ZINC001281740300 1144911561 /nfs/dbraw/zinc/91/15/61/1144911561.db2.gz RYPHBDCEOHLLHV-AWEZNQCLSA-N 0 3 322.412 2.065 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@@H](C)OCC)CC2)C1 ZINC001281784204 1144914110 /nfs/dbraw/zinc/91/41/10/1144914110.db2.gz QLMOMWGTBYQAPJ-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@H](C)OCC)CC2)C1 ZINC001281784203 1144914162 /nfs/dbraw/zinc/91/41/62/1144914162.db2.gz QLMOMWGTBYQAPJ-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2oc(CC)nc2C)C1 ZINC001316614754 1144916408 /nfs/dbraw/zinc/91/64/08/1144916408.db2.gz FLBWTRIRFGBGEJ-GASCZTMLSA-N 0 3 317.433 2.333 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1c(C)nnn1CC ZINC001282191091 1145010724 /nfs/dbraw/zinc/01/07/24/1145010724.db2.gz GDMCSSOFMJIZAH-STQMWFEESA-N 0 3 321.469 2.192 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001282460478 1145072343 /nfs/dbraw/zinc/07/23/43/1145072343.db2.gz CHLBSFQBMHRIRX-XYPHTWIQSA-N 0 3 320.408 2.353 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNCc2n[nH]c(C)n2)CCCCC1 ZINC001282608194 1145096165 /nfs/dbraw/zinc/09/61/65/1145096165.db2.gz XZVASBQFTWNUES-UHFFFAOYSA-N 0 3 319.453 2.378 20 30 DEEDHN CCCC[C@@H](CNCc1cncc(F)c1)NC(=O)C#CC1CC1 ZINC001282638253 1145103413 /nfs/dbraw/zinc/10/34/13/1145103413.db2.gz FXNREDVLOFNRDI-KRWDZBQOSA-N 0 3 317.408 2.399 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C2CCC(F)CC2)C1 ZINC001282734277 1145150327 /nfs/dbraw/zinc/15/03/27/1145150327.db2.gz CIDZTIGAPXJCSO-VQCLRJIVSA-N 0 3 312.429 2.154 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C2CN(C[C@H]3CCCCO3)C2)C1 ZINC001282743090 1145158663 /nfs/dbraw/zinc/15/86/63/1145158663.db2.gz CUWJBTWHXAJZDE-GOEBONIOSA-N 0 3 306.450 2.348 20 30 DEEDHN CCOCCCN1C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001282802220 1145167511 /nfs/dbraw/zinc/16/75/11/1145167511.db2.gz YNRWBDRBVMXKKH-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)C(C)(C)C1 ZINC001282822081 1145171202 /nfs/dbraw/zinc/17/12/02/1145171202.db2.gz KXUUZMVMPBMTNX-HUUCEWRRSA-N 0 3 304.438 2.155 20 30 DEEDHN CN(CC(F)F)C1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001364355982 1145191750 /nfs/dbraw/zinc/19/17/50/1145191750.db2.gz CJHCVKZINRXDBY-INIZCTEOSA-N 0 3 323.387 2.253 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C3(COC)CCCC3)C2)C1 ZINC001282964890 1145216769 /nfs/dbraw/zinc/21/67/69/1145216769.db2.gz MVGWDRSFOHYIQN-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC001364689027 1145467311 /nfs/dbraw/zinc/46/73/11/1145467311.db2.gz JERCKZJJWIIHAM-QZTJIDSGSA-N 0 3 300.402 2.483 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cncc2sccc21 ZINC001283668115 1145571361 /nfs/dbraw/zinc/57/13/61/1145571361.db2.gz YNIIJOHURWSLTI-LBPRGKRZSA-N 0 3 301.415 2.370 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CO)NCc1ccc(C)cc1C ZINC001283793727 1145649137 /nfs/dbraw/zinc/64/91/37/1145649137.db2.gz WKAIPIIUPFVEEV-QGZVFWFLSA-N 0 3 318.461 2.472 20 30 DEEDHN Cc1nocc1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001283899501 1145699822 /nfs/dbraw/zinc/69/98/22/1145699822.db2.gz OZRITAGVMLYAJK-MAUKXSAKSA-N 0 3 323.396 2.227 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001284015816 1145752576 /nfs/dbraw/zinc/75/25/76/1145752576.db2.gz VOVCROYRIPCWSP-CMPLNLGQSA-N 0 3 310.319 2.320 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCn2cc(C)cn2)[C@H]1C ZINC001284155088 1145809064 /nfs/dbraw/zinc/80/90/64/1145809064.db2.gz SHDNMZBZKFVRCZ-HZPDHXFCSA-N 0 3 304.438 2.127 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)C(C)=C2CCCC2)CC1(C)C ZINC001284279310 1145830129 /nfs/dbraw/zinc/83/01/29/1145830129.db2.gz VTXSUVJFHONUKS-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CNCCF)C(C)(C)C ZINC001284630487 1145881440 /nfs/dbraw/zinc/88/14/40/1145881440.db2.gz HXEWBGKWQFDGIM-MJBXVCDLSA-N 0 3 300.418 2.058 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1nccc2occc21)CCOC ZINC001284656856 1145884957 /nfs/dbraw/zinc/88/49/57/1145884957.db2.gz AYEMFHLLUVAVEC-UHFFFAOYSA-N 0 3 317.389 2.082 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc2c(s1)CCC2)CCOC ZINC001284667685 1145887735 /nfs/dbraw/zinc/88/77/35/1145887735.db2.gz IFQNNVOMGYUHFF-UHFFFAOYSA-N 0 3 322.474 2.491 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1OCC ZINC001365864307 1146031842 /nfs/dbraw/zinc/03/18/42/1146031842.db2.gz SIOZRNXYHKNPNO-HUUCEWRRSA-N 0 3 312.841 2.302 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001287679663 1146709763 /nfs/dbraw/zinc/70/97/63/1146709763.db2.gz NSBJXTNYROCMOQ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1cnc(C)cn1 ZINC001492077252 1147064052 /nfs/dbraw/zinc/06/40/52/1147064052.db2.gz BXXYCYGDGYUHRB-DYVFJYSZSA-N 0 3 304.438 2.372 20 30 DEEDHN CO[C@H](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001366383145 1147245023 /nfs/dbraw/zinc/24/50/23/1147245023.db2.gz VJOFIBYCXMGVKL-OLZOCXBDSA-N 0 3 321.446 2.125 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2ccc(C)s2)C1 ZINC001317206452 1147275046 /nfs/dbraw/zinc/27/50/46/1147275046.db2.gz SRVWFZFIMYBNHD-LSDHHAIUSA-N 0 3 304.459 2.449 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001366618792 1147398588 /nfs/dbraw/zinc/39/85/88/1147398588.db2.gz BUQMPDCKGJWIID-NHYWBVRUSA-N 0 3 324.856 2.266 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2coc3ccccc23)C1 ZINC001317532769 1147550470 /nfs/dbraw/zinc/55/04/70/1147550470.db2.gz KYLRVEDSJISWIJ-OAHLLOKOSA-N 0 3 310.397 2.437 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C(C)(C)C3CCOCC3)C2)C1 ZINC001313441146 1147562885 /nfs/dbraw/zinc/56/28/85/1147562885.db2.gz XLHBAPFOFLEMNM-UHFFFAOYSA-N 0 3 306.450 2.160 20 30 DEEDHN C=C(Cl)CN(CC)CCCNC(=O)[C@H]1CCCCN1CC ZINC001316910527 1147571661 /nfs/dbraw/zinc/57/16/61/1147571661.db2.gz AACZAUWSQLPEPT-OAHLLOKOSA-N 0 3 315.889 2.442 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCCCN(C(=O)CCCCC)C1 ZINC001316765622 1147573141 /nfs/dbraw/zinc/57/31/41/1147573141.db2.gz NCNYIZQNOFSMAA-INIZCTEOSA-N 0 3 323.481 2.230 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCCC[C@H](NCC(=O)N(C)C)C1 ZINC001316774433 1147578213 /nfs/dbraw/zinc/57/82/13/1147578213.db2.gz KYEOVTFOEFDJRT-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1CC ZINC001316739751 1147593193 /nfs/dbraw/zinc/59/31/93/1147593193.db2.gz DFBGKIBWQLAGAF-UONOGXRCSA-N 0 3 322.405 2.074 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2sccc2CC)C1 ZINC001316749544 1147594403 /nfs/dbraw/zinc/59/44/03/1147594403.db2.gz VIXKFARCCQILBT-HNNXBMFYSA-N 0 3 322.474 2.395 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@H](C)COC ZINC001316886692 1147622717 /nfs/dbraw/zinc/62/27/17/1147622717.db2.gz HREBGAFYVFWDGD-KRWDZBQOSA-N 0 3 316.445 2.149 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CCC(C)(C)C1)C1CC1 ZINC001316923786 1147632792 /nfs/dbraw/zinc/63/27/92/1147632792.db2.gz USDMDQVHNVZAPY-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C[C@@H](C)O)C2)CCCCC1 ZINC001316954406 1147638306 /nfs/dbraw/zinc/63/83/06/1147638306.db2.gz ZKBGIRTWLKCEPA-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001316977160 1147641589 /nfs/dbraw/zinc/64/15/89/1147641589.db2.gz XMHDVHMSZCYYBH-PKOBYXMFSA-N 0 3 316.445 2.267 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317076879 1147656840 /nfs/dbraw/zinc/65/68/40/1147656840.db2.gz XYCXPOYVSQMRDW-QAQDUYKDSA-N 0 3 307.397 2.225 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001367170390 1147659829 /nfs/dbraw/zinc/65/98/29/1147659829.db2.gz XRQSAHMINVSMQL-SWLSCSKDSA-N 0 3 300.830 2.040 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001317109397 1147660789 /nfs/dbraw/zinc/66/07/89/1147660789.db2.gz ISBUAJNAKNMQNP-GASCZTMLSA-N 0 3 302.805 2.490 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)Cc2sc(C)nc2C)C1 ZINC001317140714 1147665535 /nfs/dbraw/zinc/66/55/35/1147665535.db2.gz VLBBGTBQJXEYIB-OAHLLOKOSA-N 0 3 319.474 2.154 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)co1 ZINC001367243860 1147668590 /nfs/dbraw/zinc/66/85/90/1147668590.db2.gz LVYYXGAMQBSSPR-LBPRGKRZSA-N 0 3 312.373 2.010 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001317211689 1147677733 /nfs/dbraw/zinc/67/77/33/1147677733.db2.gz QEUREOBQTLEZMX-HSVFTPOESA-N 0 3 308.425 2.406 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001317294462 1147686652 /nfs/dbraw/zinc/68/66/52/1147686652.db2.gz MGSDCMBBNUYSBT-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cnccc2C)C1 ZINC001317300239 1147687687 /nfs/dbraw/zinc/68/76/87/1147687687.db2.gz JEORZEXQWOYQKL-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001317374118 1147698337 /nfs/dbraw/zinc/69/83/37/1147698337.db2.gz CCXVZEZCKBCUKO-KBPBESRZSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001317374118 1147698338 /nfs/dbraw/zinc/69/83/38/1147698338.db2.gz CCXVZEZCKBCUKO-KBPBESRZSA-N 0 3 318.421 2.073 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cn1cc(Cl)cn1)C(C)C ZINC001367477159 1147699950 /nfs/dbraw/zinc/69/99/50/1147699950.db2.gz AELLPWHLJICOQQ-GFCCVEGCSA-N 0 3 319.236 2.019 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001317382479 1147700009 /nfs/dbraw/zinc/70/00/09/1147700009.db2.gz RXUBNSLLIKNCBD-CJNGLKHVSA-N 0 3 316.449 2.076 20 30 DEEDHN C#CCCCC(=O)NCC[C@H](C)NCc1cc2n(n1)CCCC2 ZINC001317388841 1147700801 /nfs/dbraw/zinc/70/08/01/1147700801.db2.gz IJDMEUBMQGTMBB-HNNXBMFYSA-N 0 3 316.449 2.007 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@@H](F)CC)C(C)C ZINC001367493867 1147701934 /nfs/dbraw/zinc/70/19/34/1147701934.db2.gz YWYBDZFXBPCGNI-WDEREUQCSA-N 0 3 309.223 2.374 20 30 DEEDHN CC(C)C(=O)N(C)CCN(C)Cc1ccc(OCC#N)cc1 ZINC001367502250 1147703535 /nfs/dbraw/zinc/70/35/35/1147703535.db2.gz FZMOROMOHWZKIV-UHFFFAOYSA-N 0 3 303.406 2.135 20 30 DEEDHN CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001317418485 1147704076 /nfs/dbraw/zinc/70/40/76/1147704076.db2.gz BHOHWHBJCAYLFX-HNNXBMFYSA-N 0 3 300.402 2.390 20 30 DEEDHN CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001317418485 1147704078 /nfs/dbraw/zinc/70/40/78/1147704078.db2.gz BHOHWHBJCAYLFX-HNNXBMFYSA-N 0 3 300.402 2.390 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1Cc1cncc(F)c1 ZINC001317424661 1147705500 /nfs/dbraw/zinc/70/55/00/1147705500.db2.gz FQUQMUHEFQMEGP-CZUORRHYSA-N 0 3 318.396 2.241 20 30 DEEDHN COc1ccc(CN(C)CCN(C)C(=O)[C@@H](C)C#N)cc1C ZINC001367511038 1147705975 /nfs/dbraw/zinc/70/59/75/1147705975.db2.gz OQAKIECQXVIXJW-AWEZNQCLSA-N 0 3 303.406 2.054 20 30 DEEDHN C=CCC1(C(=O)NCCN(C)C[C@@H](O)CC(F)(F)F)CCC1 ZINC001317460415 1147712083 /nfs/dbraw/zinc/71/20/83/1147712083.db2.gz WEGOTOYVHANKLG-LBPRGKRZSA-N 0 3 322.371 2.094 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001317515103 1147718462 /nfs/dbraw/zinc/71/84/62/1147718462.db2.gz GBBSDKDVJRVCQH-INIZCTEOSA-N 0 3 319.449 2.039 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1[nH]cnc1C(C)(C)C ZINC001317540387 1147722131 /nfs/dbraw/zinc/72/21/31/1147722131.db2.gz IRYPZSDIAOGFOD-UHFFFAOYSA-N 0 3 304.438 2.172 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1CCCC[C@@H]1n1cccn1)C1CC1 ZINC001317552320 1147724312 /nfs/dbraw/zinc/72/43/12/1147724312.db2.gz RNPODOVQXJAJJD-SJORKVTESA-N 0 3 316.449 2.381 20 30 DEEDHN Cc1ccncc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001317577517 1147727907 /nfs/dbraw/zinc/72/79/07/1147727907.db2.gz PCWJIVJQHHZFPP-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN Cc1cnccc1C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001317585919 1147729541 /nfs/dbraw/zinc/72/95/41/1147729541.db2.gz PUWGYCOHBUHECD-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CCc1ccncc1 ZINC001317603629 1147731723 /nfs/dbraw/zinc/73/17/23/1147731723.db2.gz PKZRHKKZJBIQTG-UHFFFAOYSA-N 0 3 322.412 2.134 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)C[C@H](C)NC(=O)[C@H](C)C#N)c1 ZINC001367787661 1147744232 /nfs/dbraw/zinc/74/42/32/1147744232.db2.gz MNNALUKXQBUFLW-CVEARBPZSA-N 0 3 317.433 2.278 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CC(N)=O)c1ccc(C(C)C)cc1 ZINC001317710760 1147746260 /nfs/dbraw/zinc/74/62/60/1147746260.db2.gz ATIWAGHQNSPVOH-MRXNPFEDSA-N 0 3 317.433 2.008 20 30 DEEDHN Cc1cccc(CN(C)C[C@H](C)NC(=O)c2cc(C#N)c[nH]2)c1 ZINC001367799025 1147748173 /nfs/dbraw/zinc/74/81/73/1147748173.db2.gz UOAMXNNSBMOHHM-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCOC1 ZINC001318192747 1147793568 /nfs/dbraw/zinc/79/35/68/1147793568.db2.gz IGXMWXPALDRNRZ-IKGGRYGDSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCOC1 ZINC001318192748 1147794358 /nfs/dbraw/zinc/79/43/58/1147794358.db2.gz IGXMWXPALDRNRZ-ULQDDVLXSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OC)c1 ZINC001318224128 1147800445 /nfs/dbraw/zinc/80/04/45/1147800445.db2.gz IVZGRFOYGPLKND-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CCC(C)(F)F)C1 ZINC001318411322 1147822781 /nfs/dbraw/zinc/82/27/81/1147822781.db2.gz CGHISIQUZSCDSJ-ZDUSSCGKSA-N 0 3 304.381 2.157 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001324648892 1147825610 /nfs/dbraw/zinc/82/56/10/1147825610.db2.gz XMSANFZGLALQBA-NUJGCVRESA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cc2ccccc2[nH]1 ZINC001324652297 1147825820 /nfs/dbraw/zinc/82/58/20/1147825820.db2.gz XITIZSFCNNNGCG-UHFFFAOYSA-N 0 3 312.417 2.264 20 30 DEEDHN C#CCN1CCC[C@](C)(CNC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001324935396 1147859992 /nfs/dbraw/zinc/85/99/92/1147859992.db2.gz DLDYIYWKNYCEAP-LJQANCHMSA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2c(C)cccc2Cl)C1 ZINC001325125186 1147878134 /nfs/dbraw/zinc/87/81/34/1147878134.db2.gz AULVWJLFHLCQPO-INIZCTEOSA-N 0 3 308.809 2.001 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CO[C@@H](C)CC)C2)CC1 ZINC001325351203 1147894907 /nfs/dbraw/zinc/89/49/07/1147894907.db2.gz KQFWSZKSQSEESL-FUHWJXTLSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1(C(F)(F)F)CC1 ZINC001325901166 1148017232 /nfs/dbraw/zinc/01/72/32/1148017232.db2.gz VWXPFFJRKLDFNV-STQMWFEESA-N 0 3 314.351 2.418 20 30 DEEDHN CCS(=O)(=O)CCCNC1CC(C#N)(c2ccccc2)C1 ZINC001326045263 1148034684 /nfs/dbraw/zinc/03/46/84/1148034684.db2.gz HEIBHDUHGROSHQ-UHFFFAOYSA-N 0 3 306.431 2.025 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@](C)(OC)c2ccccc2)CCC1 ZINC001326913389 1148288358 /nfs/dbraw/zinc/28/83/58/1148288358.db2.gz KHGDHFZXCORRBX-GOSISDBHSA-N 0 3 314.429 2.200 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001327145665 1148336244 /nfs/dbraw/zinc/33/62/44/1148336244.db2.gz DYEUABBAQJQTOB-BRWVUGGUSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1ccccc1OCCCN(C)C(=O)[C@H](N)CCCC#N ZINC000424091282 230595627 /nfs/dbraw/zinc/59/56/27/230595627.db2.gz MGJIHBYOCBZVHG-OAHLLOKOSA-N 0 3 303.406 2.244 20 30 DEEDHN COCCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000151022359 282109961 /nfs/dbraw/zinc/10/99/61/282109961.db2.gz KHJCJVICQSWTOI-MRXNPFEDSA-N 0 3 315.417 2.271 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccc(C#N)cc1 ZINC000613390226 362098569 /nfs/dbraw/zinc/09/85/69/362098569.db2.gz ZTMJCNYYGWOVAT-KDOFPFPSSA-N 0 3 323.396 2.251 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@H]1CCCc2c(O)cccc21 ZINC000192357847 529867246 /nfs/dbraw/zinc/86/72/46/529867246.db2.gz POZBAEPHPMTADY-HNNXBMFYSA-N 0 3 301.390 2.121 20 30 DEEDHN CN(CCNC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000269636698 529914991 /nfs/dbraw/zinc/91/49/91/529914991.db2.gz WJORTZOJYGBKEO-INIZCTEOSA-N 0 3 300.406 2.425 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCc1cccc(C#N)c1 ZINC000332640085 529948321 /nfs/dbraw/zinc/94/83/21/529948321.db2.gz UYSRGZMDOZGVPT-QGZVFWFLSA-N 0 3 314.433 2.084 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cc(C#N)ccc1F ZINC000614205706 362315142 /nfs/dbraw/zinc/31/51/42/362315142.db2.gz AAGSXNZHWSDIEJ-RHSMWYFYSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCc1cc(CNCCN2CC=CCC2)cc(OC)c1O ZINC000279785292 215143601 /nfs/dbraw/zinc/14/36/01/215143601.db2.gz LTIPAOSTFPHHEX-UHFFFAOYSA-N 0 3 302.418 2.481 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCc2ccccc2F)CC1 ZINC000279873654 215196743 /nfs/dbraw/zinc/19/67/43/215196743.db2.gz DCDXQHTTZGNGKY-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000159681689 186134991 /nfs/dbraw/zinc/13/49/91/186134991.db2.gz QBZVWMPGMZAQLU-AWEZNQCLSA-N 0 3 300.406 2.356 20 30 DEEDHN C[C@@H]1CSCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000617079299 363017285 /nfs/dbraw/zinc/01/72/85/363017285.db2.gz XOVDFVAGUGALFT-HOCLYGCPSA-N 0 3 320.458 2.177 20 30 DEEDHN C=CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H](C)COC ZINC000617580179 363194672 /nfs/dbraw/zinc/19/46/72/363194672.db2.gz RSPSQKOCOVUFNC-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN CN1CCC(CC(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000329557071 539923344 /nfs/dbraw/zinc/92/33/44/539923344.db2.gz FAMPQPSWGJIWNP-UHFFFAOYSA-N 0 3 309.454 2.468 20 30 DEEDHN O=C(NCCOC1CCCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000329593484 539924049 /nfs/dbraw/zinc/92/40/49/539924049.db2.gz ZRBYFRYCOOOSDZ-CQSZACIVSA-N 0 3 309.454 2.466 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)C2CCN(c3cnccn3)CC2)CCN1C ZINC000329980787 539932651 /nfs/dbraw/zinc/93/26/51/539932651.db2.gz MAJAWOGXUXDCTR-UKRRQHHQSA-N 0 3 317.437 2.132 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000173272081 198204752 /nfs/dbraw/zinc/20/47/52/198204752.db2.gz KPCHNFZKEDCTBW-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000332914929 539943763 /nfs/dbraw/zinc/94/37/63/539943763.db2.gz VFUDUPPAUPWGRV-ZBFHGGJFSA-N 0 3 304.438 2.339 20 30 DEEDHN C#CCOc1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1 ZINC000174638926 198363668 /nfs/dbraw/zinc/36/36/68/198363668.db2.gz VNJTXZUXWNLPQN-UHFFFAOYSA-N 0 3 309.431 2.002 20 30 DEEDHN C=CCCSCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000595549323 358480844 /nfs/dbraw/zinc/48/08/44/358480844.db2.gz CLSYTYGBAKUOCW-AWEZNQCLSA-N 0 3 317.524 2.032 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)n1cccn1)C(C)C ZINC000042393620 354195068 /nfs/dbraw/zinc/19/50/68/354195068.db2.gz LSBUJDDOKIGKSR-CVEARBPZSA-N 0 3 304.438 2.259 20 30 DEEDHN O=C(N=C1NCCS1)C1CCN(Cc2ccccc2)CC1 ZINC000047304867 354312917 /nfs/dbraw/zinc/31/29/17/354312917.db2.gz JSRHBNRUCQZNQU-UHFFFAOYSA-N 0 3 303.431 2.118 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000050993945 354377505 /nfs/dbraw/zinc/37/75/05/354377505.db2.gz UCTXZZVSAWSABO-MRXNPFEDSA-N 0 3 315.417 2.175 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000050316063 354370893 /nfs/dbraw/zinc/37/08/93/354370893.db2.gz QUXUAUCBTQGIGE-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN C=CCOc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1OC ZINC000055527123 354501946 /nfs/dbraw/zinc/50/19/46/354501946.db2.gz GWEOHDJOXPGTAX-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCN(C)C2CC2)cc1OC ZINC000063117348 354639913 /nfs/dbraw/zinc/63/99/13/354639913.db2.gz FSEKNDZITAFAPN-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCSC1)C(C)C ZINC000073710722 354977014 /nfs/dbraw/zinc/97/70/14/354977014.db2.gz VTMAGVRZWWEHHG-GJZGRUSLSA-N 0 3 311.495 2.490 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074495340 355033157 /nfs/dbraw/zinc/03/31/57/355033157.db2.gz WDGZKSFWIWWWFE-XJKSGUPXSA-N 0 3 300.406 2.403 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3c2cccc3O)CC1 ZINC000074132358 355008899 /nfs/dbraw/zinc/00/88/99/355008899.db2.gz ICXSOYOPRHOZAT-INIZCTEOSA-N 0 3 315.417 2.329 20 30 DEEDHN CN(C)CCN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000076686049 355161680 /nfs/dbraw/zinc/16/16/80/355161680.db2.gz TXYAHLRIQDRBHO-UHFFFAOYSA-N 0 3 313.858 2.106 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1(O)CCCC1)C(C)C ZINC000073640554 191335287 /nfs/dbraw/zinc/33/52/87/191335287.db2.gz UDKSEAAUFGITSK-INIZCTEOSA-N 0 3 308.466 2.496 20 30 DEEDHN COC(=O)[C@H](C)CN(CCOc1cccc(C#N)c1)C1CC1 ZINC000171298781 355999410 /nfs/dbraw/zinc/99/94/10/355999410.db2.gz PVEJNWHWDCVSNI-CYBMUJFWSA-N 0 3 302.374 2.211 20 30 DEEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000595610725 358500265 /nfs/dbraw/zinc/50/02/65/358500265.db2.gz APMXLMADDMWLKD-ZDUSSCGKSA-N 0 3 315.373 2.370 20 30 DEEDHN C[C@H](NCc1cccc(OCC(N)=O)c1)c1cccc(C#N)c1 ZINC000181988340 356103412 /nfs/dbraw/zinc/10/34/12/356103412.db2.gz QMIKIIGJYBNHDO-ZDUSSCGKSA-N 0 3 309.369 2.273 20 30 DEEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H](C)C#N ZINC000182842519 356148445 /nfs/dbraw/zinc/14/84/45/356148445.db2.gz HGTQDPCIUMFNRP-AWEZNQCLSA-N 0 3 302.422 2.439 20 30 DEEDHN C[C@@H](NCC(=O)NCC#N)C(c1ccccc1)c1ccccc1 ZINC000184002917 356183288 /nfs/dbraw/zinc/18/32/88/356183288.db2.gz MQRYZDILXFFJDI-OAHLLOKOSA-N 0 3 307.397 2.436 20 30 DEEDHN C=CCSCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000194562244 356241321 /nfs/dbraw/zinc/24/13/21/356241321.db2.gz YNAVHKKIOIHUFW-UHFFFAOYSA-N 0 3 307.463 2.467 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCc2cccc(F)c2)cc1 ZINC000314605303 356417644 /nfs/dbraw/zinc/41/76/44/356417644.db2.gz TZHZXNFFCVDLFI-MRXNPFEDSA-N 0 3 300.333 2.227 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618351933 363469564 /nfs/dbraw/zinc/46/95/64/363469564.db2.gz CRUGQAASCCKVIH-HKUYNNGSSA-N 0 3 316.445 2.089 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000595656452 358513297 /nfs/dbraw/zinc/51/32/97/358513297.db2.gz RVTIDDCSEFEGLN-XHSDSOJGSA-N 0 3 304.438 2.339 20 30 DEEDHN CSc1ccccc1[C@@H](C)NC[C@H](O)CN(C)CCC#N ZINC000579114661 356924302 /nfs/dbraw/zinc/92/43/02/356924302.db2.gz YTFYHYJVJLJSJG-KGLIPLIRSA-N 0 3 307.463 2.265 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000580948692 357106382 /nfs/dbraw/zinc/10/63/82/357106382.db2.gz HPVVEBPHLOIPOH-RFBLXINOSA-N 0 3 304.438 2.050 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)Cc1c(F)cccc1C#N ZINC000586782909 357369208 /nfs/dbraw/zinc/36/92/08/357369208.db2.gz QFHOHCAWYFFQMZ-AWEZNQCLSA-N 0 3 303.381 2.230 20 30 DEEDHN N#Cc1cc(CN2CCC[C@@H](N3CCOCC3)CC2)ccc1F ZINC000585716952 357348483 /nfs/dbraw/zinc/34/84/83/357348483.db2.gz LEPQFAYYCASSJF-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN C[C@@H]1CCSCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000585816808 357361233 /nfs/dbraw/zinc/36/12/33/357361233.db2.gz VMPYSYZMSLJIDP-ZBFHGGJFSA-N 0 3 320.458 2.320 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)c1ccco1 ZINC000588724725 357419822 /nfs/dbraw/zinc/41/98/22/357419822.db2.gz AFSHAIRUJIECPI-XEZPLFJOSA-N 0 3 322.384 2.356 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(F)cc3C#N)[C@H]2C1 ZINC000588978473 357438725 /nfs/dbraw/zinc/43/87/25/357438725.db2.gz UFOYFBDTBDWQOP-WBAXXEDZSA-N 0 3 315.392 2.434 20 30 DEEDHN COC(=O)c1cc(CN[C@H]2CCc3cc(C#N)ccc32)cn1C ZINC000589176651 357450427 /nfs/dbraw/zinc/45/04/27/357450427.db2.gz UKVIHHKOERODEB-INIZCTEOSA-N 0 3 309.369 2.460 20 30 DEEDHN CN1C[C@@H]2CCN(Cc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000590012548 357512905 /nfs/dbraw/zinc/51/29/05/357512905.db2.gz URHCILGCGBOBOA-SWLSCSKDSA-N 0 3 320.234 2.457 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cncnc1CC)C(C)C ZINC000590319294 357533127 /nfs/dbraw/zinc/53/31/27/357533127.db2.gz OLRBFQWYNUTDEA-KRWDZBQOSA-N 0 3 316.449 2.467 20 30 DEEDHN COCCNC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000591010567 357659544 /nfs/dbraw/zinc/65/95/44/357659544.db2.gz NNLWFZNCPGRUFL-UHFFFAOYSA-N 0 3 321.465 2.325 20 30 DEEDHN N#CC1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000591357570 357712670 /nfs/dbraw/zinc/71/26/70/357712670.db2.gz XQRGJTBXAZTEJY-INIZCTEOSA-N 0 3 308.385 2.443 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2cccs2)c(F)c1 ZINC000591733939 357755306 /nfs/dbraw/zinc/75/53/06/357755306.db2.gz ONIHFTAABPKVLT-AWEZNQCLSA-N 0 3 320.389 2.426 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866528 357771748 /nfs/dbraw/zinc/77/17/48/357771748.db2.gz BMNGDPSLBPIFBC-HOTGVXAUSA-N 0 3 304.438 2.333 20 30 DEEDHN CCOc1cccc(CCNCc2cnc3c(C#N)cnn3c2)c1 ZINC000592508025 357889978 /nfs/dbraw/zinc/88/99/78/357889978.db2.gz KUPGYTKQWSNILY-UHFFFAOYSA-N 0 3 321.384 2.332 20 30 DEEDHN CCN(CCSC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592744482 357934010 /nfs/dbraw/zinc/93/40/10/357934010.db2.gz ORBTXYMNDALFAK-HNNXBMFYSA-N 0 3 301.415 2.452 20 30 DEEDHN C=CCC[C@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1ccccc1 ZINC000180049460 199112452 /nfs/dbraw/zinc/11/24/52/199112452.db2.gz JSRVVTXGPMTROQ-AWEZNQCLSA-N 0 3 305.378 2.479 20 30 DEEDHN C=CCC[C@H]([NH2+]CCCOC([O-])=NC(N)=O)c1ccccc1 ZINC000180049460 199112454 /nfs/dbraw/zinc/11/24/54/199112454.db2.gz JSRVVTXGPMTROQ-AWEZNQCLSA-N 0 3 305.378 2.479 20 30 DEEDHN CCC(C#N)C(=O)N(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000593462713 358084487 /nfs/dbraw/zinc/08/44/87/358084487.db2.gz ZRWSUNZYGVZFGF-LBPRGKRZSA-N 0 3 324.327 2.406 20 30 DEEDHN Cn1cncc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692332 358124196 /nfs/dbraw/zinc/12/41/96/358124196.db2.gz BNVZHYUHIGQRCD-UHFFFAOYSA-N 0 3 309.417 2.046 20 30 DEEDHN Cc1nn(C)cc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693383 358124752 /nfs/dbraw/zinc/12/47/52/358124752.db2.gz WZLCYRYYZKCGMX-UHFFFAOYSA-N 0 3 323.444 2.354 20 30 DEEDHN C=CCCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000180484821 199165023 /nfs/dbraw/zinc/16/50/23/199165023.db2.gz QLCVARBAEQSSHP-QGZVFWFLSA-N 0 3 302.418 2.226 20 30 DEEDHN CN(CC#CCN(C)CCc1ccncc1)CCc1ccncc1 ZINC000276613770 213000581 /nfs/dbraw/zinc/00/05/81/213000581.db2.gz SVQSOZWLKVYJLY-UHFFFAOYSA-N 0 3 322.456 2.129 20 30 DEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000595431033 358446609 /nfs/dbraw/zinc/44/66/09/358446609.db2.gz WTFXVUIVVWVDOO-KZNAEPCWSA-N 0 3 317.408 2.311 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)NC(=O)NCc2cccs2)C1 ZINC000595661059 358515261 /nfs/dbraw/zinc/51/52/61/358515261.db2.gz XCESOXIKOHGBOY-ZDUSSCGKSA-N 0 3 321.446 2.362 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000595786175 358549608 /nfs/dbraw/zinc/54/96/08/358549608.db2.gz LFLOAKHBDKBWMO-DOTOQJQBSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1cnnc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000596233666 358648012 /nfs/dbraw/zinc/64/80/12/358648012.db2.gz ZZRJUMQRSWMPKA-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C(C)C ZINC000181192863 199263838 /nfs/dbraw/zinc/26/38/38/199263838.db2.gz VIPRPSDUVCBFCQ-INIZCTEOSA-N 0 3 300.406 2.315 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596671001 358737044 /nfs/dbraw/zinc/73/70/44/358737044.db2.gz GTSGGEXPPMLSAA-WMLDXEAASA-N 0 3 314.433 2.082 20 30 DEEDHN CSc1ccc([O-])c(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000596927014 358789148 /nfs/dbraw/zinc/78/91/48/358789148.db2.gz XAZBVZQDPNFRBG-UHFFFAOYSA-N 0 3 321.446 2.422 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CCCCC1 ZINC000627268591 366495020 /nfs/dbraw/zinc/49/50/20/366495020.db2.gz FORLZJSPIJTDRQ-JKSUJKDBSA-N 0 3 306.450 2.181 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CNc1ccc(C#N)cc1 ZINC000598265374 359141961 /nfs/dbraw/zinc/14/19/61/359141961.db2.gz SNDZAWQDXVKUGX-HNNXBMFYSA-N 0 3 314.433 2.207 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000598604363 359259220 /nfs/dbraw/zinc/25/92/20/359259220.db2.gz LTRWEURLBTZTDK-JSGCOSHPSA-N 0 3 322.371 2.312 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598590148 359251736 /nfs/dbraw/zinc/25/17/36/359251736.db2.gz KUPLJYOECMHTBS-QGZVFWFLSA-N 0 3 315.417 2.307 20 30 DEEDHN CC(C)C[C@@H]([NH2+]C[C@H](C)CCC#N)c1nc(-c2nc[n-]n2)no1 ZINC000618888052 363624833 /nfs/dbraw/zinc/62/48/33/363624833.db2.gz QLSIPDNIKVBXFA-VXGBXAGGSA-N 0 3 317.397 2.471 20 30 DEEDHN CN(C)C(=O)C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598602255 359258132 /nfs/dbraw/zinc/25/81/32/359258132.db2.gz MPBUYEOCBDRQTQ-JKSUJKDBSA-N 0 3 317.433 2.096 20 30 DEEDHN COc1cc(CNC[C@@H](O)CC(C)(C)C#N)cc(OC)c1OC ZINC000598703125 359298597 /nfs/dbraw/zinc/29/85/97/359298597.db2.gz CNDONNRTIOKZAX-ZDUSSCGKSA-N 0 3 322.405 2.103 20 30 DEEDHN C=C(C)[C@H](NCCCN1C(=O)CNC1=O)c1ccc(F)c(F)c1 ZINC000187793032 200157473 /nfs/dbraw/zinc/15/74/73/200157473.db2.gz OFRVCXLOKDUKAN-HNNXBMFYSA-N 0 3 323.343 2.114 20 30 DEEDHN C=C(C)[C@@H](NC[C@H](O)Cn1cccn1)c1ccc(F)c(F)c1 ZINC000187771451 200155321 /nfs/dbraw/zinc/15/53/21/200155321.db2.gz CMJFIEOHULTTFV-XJKSGUPXSA-N 0 3 307.344 2.429 20 30 DEEDHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1C#N ZINC000429323008 237383765 /nfs/dbraw/zinc/38/37/65/237383765.db2.gz QVYWVBADLUTPLN-SWLSCSKDSA-N 0 3 321.380 2.348 20 30 DEEDHN CN(C)CCn1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)cn1 ZINC000601179786 359954264 /nfs/dbraw/zinc/95/42/64/359954264.db2.gz BMUZAVAJCHJDIJ-QGZVFWFLSA-N 0 3 317.437 2.037 20 30 DEEDHN C[C@@H](NS(=O)(=O)CCCN1CCCC1)c1cccc(C#N)c1 ZINC000601359618 360017731 /nfs/dbraw/zinc/01/77/31/360017731.db2.gz JOMCJSKYIHGZFT-CQSZACIVSA-N 0 3 321.446 2.025 20 30 DEEDHN Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC000601851655 360174157 /nfs/dbraw/zinc/17/41/57/360174157.db2.gz VPIFGUZGORPGHO-MRXNPFEDSA-N 0 3 308.385 2.199 20 30 DEEDHN Cc1ncc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000601967616 360213164 /nfs/dbraw/zinc/21/31/64/360213164.db2.gz IJBDTVHUJXYIQA-BXUZGUMPSA-N 0 3 317.414 2.414 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H](C)CN(CC)CC ZINC000668624474 540699855 /nfs/dbraw/zinc/69/98/55/540699855.db2.gz ORIHMUWWOJKXHC-XHSDSOJGSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@H](C)[C@@H](CN1CCN(c2cc(C#N)ccn2)CC1)OC ZINC000602434466 360371239 /nfs/dbraw/zinc/37/12/39/360371239.db2.gz FAWMWCIJGMODIO-GOEBONIOSA-N 0 3 302.422 2.136 20 30 DEEDHN CC(C)CN1CCO[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512230 360410985 /nfs/dbraw/zinc/41/09/85/360410985.db2.gz YAQNHAMWRFGJCC-IRXDYDNUSA-N 0 3 323.481 2.032 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@](C)(CC)c1ccc(F)cc1 ZINC000602926519 360629808 /nfs/dbraw/zinc/62/98/08/360629808.db2.gz OXUTUZHUMFRYFA-MRXNPFEDSA-N 0 3 307.369 2.052 20 30 DEEDHN COCCOCc1cc(C#N)ccc1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000603383859 360813214 /nfs/dbraw/zinc/81/32/14/360813214.db2.gz QDEZOLRCISHWLD-GASCZTMLSA-N 0 3 317.433 2.250 20 30 DEEDHN N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CSCCN1 ZINC000603418938 360825797 /nfs/dbraw/zinc/82/57/97/360825797.db2.gz IXMZSKPEETYMFV-SECBINFHSA-N 0 3 302.325 2.089 20 30 DEEDHN N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CSCCN1 ZINC000603418939 360826264 /nfs/dbraw/zinc/82/62/64/360826264.db2.gz IXMZSKPEETYMFV-VIFPVBQESA-N 0 3 302.325 2.089 20 30 DEEDHN CO[C@@H](C)[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191702063 200747337 /nfs/dbraw/zinc/74/73/37/200747337.db2.gz FGZKMUKQGOZBGO-HEHGZKQESA-N 0 3 301.390 2.067 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCC[C@@](O)(CN(C)C)C1)c1ccccc1 ZINC000670378393 540927936 /nfs/dbraw/zinc/92/79/36/540927936.db2.gz YLCYWWJRBNOURH-QFBILLFUSA-N 0 3 316.445 2.261 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](n2ccnc2)C1 ZINC000609157731 361285860 /nfs/dbraw/zinc/28/58/60/361285860.db2.gz SMIINGWSRMOQCG-INIZCTEOSA-N 0 3 323.400 2.420 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](n2ccnc2)C1 ZINC000609157732 361285930 /nfs/dbraw/zinc/28/59/30/361285930.db2.gz SMIINGWSRMOQCG-MRXNPFEDSA-N 0 3 323.400 2.420 20 30 DEEDHN N#CCN1CCC(NCc2cnc(-c3ccccc3)nc2)CC1 ZINC000609334681 361302581 /nfs/dbraw/zinc/30/25/81/361302581.db2.gz AWQQWNAZLKOMHD-UHFFFAOYSA-N 0 3 307.401 2.221 20 30 DEEDHN CCO[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619281249 363754659 /nfs/dbraw/zinc/75/46/59/363754659.db2.gz LIPAXOIAZZVORZ-IAGOWNOFSA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000275758392 212519689 /nfs/dbraw/zinc/51/96/89/212519689.db2.gz PENOTBSTEKKMLM-AWEZNQCLSA-N 0 3 315.417 2.268 20 30 DEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000611552400 361628949 /nfs/dbraw/zinc/62/89/49/361628949.db2.gz XYXCRPCAJNEUNO-QAPCUYQASA-N 0 3 317.408 2.435 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611578009 361639893 /nfs/dbraw/zinc/63/98/93/361639893.db2.gz MHEQONMVAHVHBT-JQWIXIFHSA-N 0 3 300.280 2.098 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCC(C)(C)C#N)Cc1ccccc1 ZINC000611623021 361646824 /nfs/dbraw/zinc/64/68/24/361646824.db2.gz WERYFCOLZHVNFA-HNNXBMFYSA-N 0 3 302.422 2.008 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000675134220 541291870 /nfs/dbraw/zinc/29/18/70/541291870.db2.gz DNCWUHBVZAPWQM-RDJZCZTQSA-N 0 3 302.418 2.358 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000450389410 241779480 /nfs/dbraw/zinc/77/94/80/241779480.db2.gz NEKCORVUOPRUDE-UHFFFAOYSA-N 0 3 323.400 2.236 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c[nH]1 ZINC000293095314 223394509 /nfs/dbraw/zinc/39/45/09/223394509.db2.gz NNEWQOXBGURRAQ-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN C=CC(C)(C)CNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631151278 368048337 /nfs/dbraw/zinc/04/83/37/368048337.db2.gz ZYDGNRWJDONJGC-UHFFFAOYSA-N 0 3 302.827 2.289 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccnc(-c3nccs3)n2)CC1 ZINC000631107508 368020957 /nfs/dbraw/zinc/02/09/57/368020957.db2.gz CNECXEQMQIUXQC-UHFFFAOYSA-N 0 3 315.446 2.474 20 30 DEEDHN C=CCN(Cc1cccs1)S(=O)(=O)CCCN(C)C ZINC000631695490 368345891 /nfs/dbraw/zinc/34/58/91/368345891.db2.gz FXZHCAULIVMEAN-UHFFFAOYSA-N 0 3 302.465 2.018 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451510633 243046171 /nfs/dbraw/zinc/04/61/71/243046171.db2.gz PGQINKXZAGJMOR-VNQPRFMTSA-N 0 3 321.465 2.320 20 30 DEEDHN CC(C)[C@@H](NCC(=O)Nc1sccc1C#N)[C@@H](CO)C(C)C ZINC000451603933 243188435 /nfs/dbraw/zinc/18/84/35/243188435.db2.gz XYUVSVZXQZBPBB-DZGCQCFKSA-N 0 3 323.462 2.437 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000452198337 244046545 /nfs/dbraw/zinc/04/65/45/244046545.db2.gz UJQZNKFSQVBAGX-INIZCTEOSA-N 0 3 324.384 2.014 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cnccc2C)CC1 ZINC000678440485 541729066 /nfs/dbraw/zinc/72/90/66/541729066.db2.gz RJGGBCVOPSWGPR-AWEZNQCLSA-N 0 3 302.422 2.401 20 30 DEEDHN C=C(C)COc1cc(CN(C)C[C@@H](C)C(=O)NC)ccc1OC ZINC000093899761 193326367 /nfs/dbraw/zinc/32/63/67/193326367.db2.gz DBXJYQAUMRHHOT-CQSZACIVSA-N 0 3 320.433 2.464 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000264972227 204315675 /nfs/dbraw/zinc/31/56/75/204315675.db2.gz PPBZBBRILBUGDF-YCPHGPKFSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCCOc1ccc(CNCCN2CCSCC2)cc1 ZINC000264999437 204333352 /nfs/dbraw/zinc/33/33/52/204333352.db2.gz ZKUBPCUWCJCIRP-UHFFFAOYSA-N 0 3 304.459 2.227 20 30 DEEDHN N#Cc1ccc(CNCCCn2cc(Br)cn2)o1 ZINC000288347199 220099085 /nfs/dbraw/zinc/09/90/85/220099085.db2.gz BVHVLRRDLRCWFP-UHFFFAOYSA-N 0 3 309.167 2.290 20 30 DEEDHN C=CCOCCCC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000266266202 205225199 /nfs/dbraw/zinc/22/51/99/205225199.db2.gz FZMJKHAJPFDKJQ-UHFFFAOYSA-N 0 3 320.433 2.226 20 30 DEEDHN C=CCOCCCC(=O)NCc1ccccc1OCCN(C)C ZINC000266325190 205268979 /nfs/dbraw/zinc/26/89/79/205268979.db2.gz XNYSYKSBNMPWLM-UHFFFAOYSA-N 0 3 320.433 2.226 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](OC(F)F)C2)CC1 ZINC000679693450 541900462 /nfs/dbraw/zinc/90/04/62/541900462.db2.gz AXWNFAOVFOKSTI-ZDUSSCGKSA-N 0 3 317.380 2.050 20 30 DEEDHN C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)C1=CCN(C)CC1 ZINC000454824424 246178331 /nfs/dbraw/zinc/17/83/31/246178331.db2.gz UMMBFUIQIJQHEW-GFCCVEGCSA-N 0 3 316.380 2.147 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000024377436 182379610 /nfs/dbraw/zinc/37/96/10/182379610.db2.gz LZDNVIWJSNMPGI-QWRGUYRKSA-N 0 3 309.797 2.391 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccnc(C)c2Cl)CC1 ZINC000681214488 542112862 /nfs/dbraw/zinc/11/28/62/542112862.db2.gz HVWRNNUXMKDEJD-UHFFFAOYSA-N 0 3 308.813 2.237 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458265763 248240037 /nfs/dbraw/zinc/24/00/37/248240037.db2.gz BJBSEGKTOJHJNE-BZNIZROVSA-N 0 3 305.353 2.254 20 30 DEEDHN Cc1onc(CC(=O)Nc2ccc(CN(C)C)c(C)c2)c1C#N ZINC000458276793 248247550 /nfs/dbraw/zinc/24/75/50/248247550.db2.gz ZXINLILRFVOKLL-UHFFFAOYSA-N 0 3 312.373 2.406 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000458336703 248266018 /nfs/dbraw/zinc/26/60/18/248266018.db2.gz PVVMNILWCJUKTL-IRXDYDNUSA-N 0 3 303.450 2.467 20 30 DEEDHN CC(C)CN1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000041894503 183224190 /nfs/dbraw/zinc/22/41/90/183224190.db2.gz ADSILNRMCWBVFN-UHFFFAOYSA-N 0 3 314.433 2.160 20 30 DEEDHN CCN(CCNCc1cc(C#N)n(C)c1)CCC(F)(F)F ZINC000494846827 249564212 /nfs/dbraw/zinc/56/42/12/249564212.db2.gz NAORLJDBKDSNCS-UHFFFAOYSA-N 0 3 302.344 2.261 20 30 DEEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1 ZINC000274057103 211314443 /nfs/dbraw/zinc/31/44/43/211314443.db2.gz PWXNDKMLYYJELO-PWSUYJOCSA-N 0 3 307.781 2.165 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000106037834 194181353 /nfs/dbraw/zinc/18/13/53/194181353.db2.gz GUIDLBPYOAICDT-UHFFFAOYSA-N 0 3 316.401 2.228 20 30 DEEDHN C[C@H](NCCN1CCOC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000271932645 209334837 /nfs/dbraw/zinc/33/48/37/209334837.db2.gz ITEXIJABLYQSLU-ZDUSSCGKSA-N 0 3 305.397 2.459 20 30 DEEDHN CC(C)OCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000060575965 184152569 /nfs/dbraw/zinc/15/25/69/184152569.db2.gz HZEQJQLIKWBEDE-UHFFFAOYSA-N 0 3 317.433 2.264 20 30 DEEDHN N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000269080523 207227013 /nfs/dbraw/zinc/22/70/13/207227013.db2.gz FGMPHUORMFRKDU-ZWKOTPCHSA-N 0 3 322.412 2.248 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc3c(c2)CCO3)CC1 ZINC000491933508 533047063 /nfs/dbraw/zinc/04/70/63/533047063.db2.gz CAZGVLKEMVLEPW-ALCCZGGFSA-N 0 3 324.424 2.239 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ccc(C(=O)OC)nn1)C(C)C ZINC000120208664 195119123 /nfs/dbraw/zinc/11/91/23/195119123.db2.gz OQPMPZJQLISJTQ-OAHLLOKOSA-N 0 3 318.421 2.374 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000158730740 197297555 /nfs/dbraw/zinc/29/75/55/197297555.db2.gz GMYAGKIXZYKISS-ZIAGYGMSSA-N 0 3 309.454 2.282 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000157761975 197213423 /nfs/dbraw/zinc/21/34/23/197213423.db2.gz SFKTVQBSBMMSDW-DYVFJYSZSA-N 0 3 308.385 2.137 20 30 DEEDHN C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)N1CCCCCC1 ZINC000175948658 533283962 /nfs/dbraw/zinc/28/39/62/533283962.db2.gz ZGTZSCPTMFMJDQ-HNNXBMFYSA-N 0 3 315.417 2.470 20 30 DEEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(C(C)(C)C)on1 ZINC000331014073 533581669 /nfs/dbraw/zinc/58/16/69/533581669.db2.gz TYIXWXNUEWTAGN-ZDUSSCGKSA-N 0 3 322.453 2.303 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)cc1F ZINC000562671122 292001395 /nfs/dbraw/zinc/00/13/95/292001395.db2.gz DRPMDLFPPBWPSO-GFCCVEGCSA-N 0 3 301.287 2.424 20 30 DEEDHN CN(C)[C@H](CNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000355571517 133034768 /nfs/dbraw/zinc/03/47/68/133034768.db2.gz WKQVMQQYKBMILJ-GOSISDBHSA-N 0 3 322.412 2.389 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000359847255 133148950 /nfs/dbraw/zinc/14/89/50/133148950.db2.gz WVJLFZYJCNPFSK-RDTXWAMCSA-N 0 3 320.396 2.346 20 30 DEEDHN C[C@H]1[C@H](NC(=O)c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000359847252 133148996 /nfs/dbraw/zinc/14/89/96/133148996.db2.gz WVJLFZYJCNPFSK-KBXCAEBGSA-N 0 3 320.396 2.346 20 30 DEEDHN N#Cc1ccnc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000368545729 133277818 /nfs/dbraw/zinc/27/78/18/133277818.db2.gz OAIIBTZYRAPUNB-SJORKVTESA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN[C@@H](CO)c1ccccc1 ZINC000183628463 144931714 /nfs/dbraw/zinc/93/17/14/144931714.db2.gz PXICWPHFEZHFAD-AWEZNQCLSA-N 0 3 315.398 2.272 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ccc(C#N)cc2)C1 ZINC000246742619 145112550 /nfs/dbraw/zinc/11/25/50/145112550.db2.gz PFXZXVLLWCMJOM-ROUUACIJSA-N 0 3 311.429 2.434 20 30 DEEDHN N#Cc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000336693726 145396479 /nfs/dbraw/zinc/39/64/79/145396479.db2.gz HXMNSJQFHLXITG-LJQANCHMSA-N 0 3 319.408 2.491 20 30 DEEDHN C[C@@H](CO)N1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000346642496 146115938 /nfs/dbraw/zinc/11/59/38/146115938.db2.gz LNWATRSFWSBOAG-ZDUSSCGKSA-N 0 3 307.825 2.100 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CCC[C@@H]1OC(F)F ZINC000348521136 146281322 /nfs/dbraw/zinc/28/13/22/146281322.db2.gz NLJWFWNMSMNCFN-ZJUUUORDSA-N 0 3 315.345 2.308 20 30 DEEDHN CC1CCC(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 ZINC000359147737 147271340 /nfs/dbraw/zinc/27/13/40/147271340.db2.gz GJRKMCXJSLSRLM-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C[C@H](CO[C@@H]1CCOC1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127610715 401742359 /nfs/dbraw/zinc/74/23/59/401742359.db2.gz RQHWLWPDSFYBLZ-CCGTUFIJSA-N 0 3 300.402 2.394 20 30 DEEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc(C#N)[nH]1 ZINC000126452414 401695068 /nfs/dbraw/zinc/69/50/68/401695068.db2.gz BCVHQEMWGCHJCQ-UHFFFAOYSA-N 0 3 323.400 2.270 20 30 DEEDHN C=C(C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000126805426 401709244 /nfs/dbraw/zinc/70/92/44/401709244.db2.gz RTJMLULMPWMNMJ-UHFFFAOYSA-N 0 3 315.417 2.303 20 30 DEEDHN N#CCOc1ccc(/C=C/C(=O)NCCN2CCCCC2)cc1 ZINC000129549068 401805986 /nfs/dbraw/zinc/80/59/86/401805986.db2.gz PVPNLWFYOIVINJ-RMKNXTFCSA-N 0 3 313.401 2.204 20 30 DEEDHN C#CCOc1ccccc1CNCCNC(=O)OC(C)(C)C ZINC000114772667 401809336 /nfs/dbraw/zinc/80/93/36/401809336.db2.gz GLZIZUMXMILRPL-UHFFFAOYSA-N 0 3 304.390 2.313 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000113264497 401773360 /nfs/dbraw/zinc/77/33/60/401773360.db2.gz WUWJAOTZZQZXCE-MRXNPFEDSA-N 0 3 315.417 2.014 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000076385624 401793590 /nfs/dbraw/zinc/79/35/90/401793590.db2.gz ARTNRGRFZBVKDK-CABCVRRESA-N 0 3 315.417 2.185 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(C2OCCO2)CC1 ZINC000130101292 401818352 /nfs/dbraw/zinc/81/83/52/401818352.db2.gz CNSRNXKVKPLMIN-UHFFFAOYSA-N 0 3 301.386 2.284 20 30 DEEDHN COCCOC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000116886537 401863267 /nfs/dbraw/zinc/86/32/67/401863267.db2.gz SZPXBTQDAVZWKZ-UHFFFAOYSA-N 0 3 304.390 2.064 20 30 DEEDHN C=CC[C@@H](C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000116944774 401865181 /nfs/dbraw/zinc/86/51/81/401865181.db2.gz OOWIQOJUJVQJRR-CQSZACIVSA-N 0 3 305.422 2.391 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000133314465 401881261 /nfs/dbraw/zinc/88/12/61/401881261.db2.gz WAYCSIDFMKGYCV-UKRRQHHQSA-N 0 3 320.458 2.022 20 30 DEEDHN C=C(C)COCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000134988089 401923493 /nfs/dbraw/zinc/92/34/93/401923493.db2.gz YNMNASDFOUAICQ-UHFFFAOYSA-N 0 3 305.422 2.010 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)[C@@H](C)CC ZINC000046171376 401967535 /nfs/dbraw/zinc/96/75/35/401967535.db2.gz LZQNGHYYFUCTAN-AWEZNQCLSA-N 0 3 303.406 2.299 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C(=O)NCCC)C1 ZINC000050996005 402031534 /nfs/dbraw/zinc/03/15/34/402031534.db2.gz YLIVXEJGZIXNAG-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[nH]1 ZINC000151567509 402043832 /nfs/dbraw/zinc/04/38/32/402043832.db2.gz NSDBXNDTWQRMKW-INIZCTEOSA-N 0 3 308.385 2.281 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000152302550 402088122 /nfs/dbraw/zinc/08/81/22/402088122.db2.gz PCRVGIDABOKKGG-FHWLQOOXSA-N 0 3 308.425 2.034 20 30 DEEDHN Cc1nn(C)c(C)c1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122971832 402103962 /nfs/dbraw/zinc/10/39/62/402103962.db2.gz NQMIMUUIHKVTNE-LBPRGKRZSA-N 0 3 307.357 2.414 20 30 DEEDHN CO[C@]1(C)C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1(C)C ZINC000329796558 286167373 /nfs/dbraw/zinc/16/73/73/286167373.db2.gz DXIHYQYZOMTLJH-XZBIERFOSA-N 0 3 309.454 2.176 20 30 DEEDHN COc1ccc(CN(CCO)C2CC2)cc1OCCCC#N ZINC000153624766 402158099 /nfs/dbraw/zinc/15/80/99/402158099.db2.gz JLUUIMQDJNJCLE-UHFFFAOYSA-N 0 3 304.390 2.334 20 30 DEEDHN CN(C(=O)CN(CCCO)CC(C)(C)C)C1(C#N)CCCCC1 ZINC000106934723 402223355 /nfs/dbraw/zinc/22/33/55/402223355.db2.gz TVODVIRSOLPWTA-UHFFFAOYSA-N 0 3 323.481 2.402 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000107072010 402225627 /nfs/dbraw/zinc/22/56/27/402225627.db2.gz IUMSIDUPFDREHY-ZIAGYGMSSA-N 0 3 303.406 2.354 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1 ZINC000106035554 402212213 /nfs/dbraw/zinc/21/22/13/402212213.db2.gz LXJJDBYLPISIIV-NVXWUHKLSA-N 0 3 324.465 2.117 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000126121836 402265770 /nfs/dbraw/zinc/26/57/70/402265770.db2.gz DBBFFHYNCRZXIF-UHFFFAOYSA-N 0 3 315.417 2.375 20 30 DEEDHN C=C(C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000156587319 402285503 /nfs/dbraw/zinc/28/55/03/402285503.db2.gz QZKFZPJIUREGGA-GASCZTMLSA-N 0 3 309.454 2.093 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000176686810 402329091 /nfs/dbraw/zinc/32/90/91/402329091.db2.gz QKLFJZHBCKNCAC-HUUCEWRRSA-N 0 3 315.417 2.177 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000186370501 402425475 /nfs/dbraw/zinc/42/54/75/402425475.db2.gz VAMJFBRZONAZAJ-ZOBUZTSGSA-N 0 3 309.454 2.224 20 30 DEEDHN CN1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000171140789 402561093 /nfs/dbraw/zinc/56/10/93/402561093.db2.gz MWGJGNOEUKUTHB-UHFFFAOYSA-N 0 3 303.410 2.330 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCCOc2cccc(C#N)c2)C1(C)C ZINC000190017367 402570668 /nfs/dbraw/zinc/57/06/68/402570668.db2.gz HWPMMZCBQSRHHT-WMZOPIPTSA-N 0 3 318.417 2.093 20 30 DEEDHN COC(=O)C1(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000188677026 402523299 /nfs/dbraw/zinc/52/32/99/402523299.db2.gz AYTYRRKBGJVBJG-UHFFFAOYSA-N 0 3 302.374 2.412 20 30 DEEDHN C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000170804069 402527107 /nfs/dbraw/zinc/52/71/07/402527107.db2.gz RGXXJTKLCLJDSU-ZNMIVQPWSA-N 0 3 315.417 2.466 20 30 DEEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCCO1 ZINC000248628280 402600069 /nfs/dbraw/zinc/60/00/69/402600069.db2.gz VSXLWWZCWARCLI-INWMFGNUSA-N 0 3 301.390 2.432 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(F)cc3[nH]cnc32)CC1 ZINC000171717617 402614418 /nfs/dbraw/zinc/61/44/18/402614418.db2.gz LLAYGQACVULTQS-UHFFFAOYSA-N 0 3 302.353 2.082 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000171717617 402614420 /nfs/dbraw/zinc/61/44/20/402614420.db2.gz LLAYGQACVULTQS-UHFFFAOYSA-N 0 3 302.353 2.082 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccccn2)CC1 ZINC000171737792 402616919 /nfs/dbraw/zinc/61/69/19/402616919.db2.gz YRJROGMKKKQUHA-AWEZNQCLSA-N 0 3 302.422 2.434 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249415674 402628596 /nfs/dbraw/zinc/62/85/96/402628596.db2.gz WDHPUWKYDSYIAV-HNNXBMFYSA-N 0 3 301.434 2.144 20 30 DEEDHN CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1C[C@H](C)O ZINC000249288317 402625130 /nfs/dbraw/zinc/62/51/30/402625130.db2.gz QEHZPNQWQGFWIS-HDMKZQKVSA-N 0 3 301.434 2.396 20 30 DEEDHN CCc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180878492 402629460 /nfs/dbraw/zinc/62/94/60/402629460.db2.gz MIJINXUIQNLBRT-XAGMJWQQSA-N 0 3 313.401 2.426 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H]2OCCc3ccccc32)CC1 ZINC000172217628 402645810 /nfs/dbraw/zinc/64/58/10/402645810.db2.gz JGUILQJSKJAMAF-SFHVURJKSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(N(C)C)n2)CC1 ZINC000181942633 402661597 /nfs/dbraw/zinc/66/15/97/402661597.db2.gz CASPOJIGQNYHLZ-UHFFFAOYSA-N 0 3 317.437 2.310 20 30 DEEDHN C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)[C@H]2CCCC[C@H]12 ZINC000182477867 402693490 /nfs/dbraw/zinc/69/34/90/402693490.db2.gz SUKQKWNNOBTQCV-XHSDSOJGSA-N 0 3 302.422 2.153 20 30 DEEDHN C[C@@H](CCNS(=O)(=O)c1ccc(C#N)cc1)N1CCCCC1 ZINC000183287959 402753382 /nfs/dbraw/zinc/75/33/82/402753382.db2.gz HJTFCNIYHLMRTA-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN C=CCCCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183397319 402763024 /nfs/dbraw/zinc/76/30/24/402763024.db2.gz RBFIZQQHUMCMOT-KRWDZBQOSA-N 0 3 302.418 2.226 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H](CCO)C2CCCCC2)cc1 ZINC000183709469 402790951 /nfs/dbraw/zinc/79/09/51/402790951.db2.gz QRFDXYCZGANJEQ-KRWDZBQOSA-N 0 3 315.417 2.418 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCCS(=O)(=O)Cc2ccccc2)C1 ZINC000278188307 402861820 /nfs/dbraw/zinc/86/18/20/402861820.db2.gz FAWVMHKSLHNJBJ-CVEARBPZSA-N 0 3 306.431 2.273 20 30 DEEDHN Cc1occc1C(=O)NC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278520465 402867612 /nfs/dbraw/zinc/86/76/12/402867612.db2.gz CKIKBDPKCKLSSC-ZFWWWQNUSA-N 0 3 301.390 2.475 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000278891806 402882464 /nfs/dbraw/zinc/88/24/64/402882464.db2.gz DURLKXGRJNDQNU-HNNXBMFYSA-N 0 3 324.384 2.427 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000271937937 402885737 /nfs/dbraw/zinc/88/57/37/402885737.db2.gz ACMQRQLOHRRELG-HZPDHXFCSA-N 0 3 302.418 2.262 20 30 DEEDHN Cc1cc(NC(=O)NCCN2CCCCCC2)nn1CCC#N ZINC000272072879 402894402 /nfs/dbraw/zinc/89/44/02/402894402.db2.gz KPJQSZRCPLCJSH-UHFFFAOYSA-N 0 3 318.425 2.103 20 30 DEEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1 ZINC000265794405 402950530 /nfs/dbraw/zinc/95/05/30/402950530.db2.gz ORSGUGUIDGFKMS-ROUUACIJSA-N 0 3 322.412 2.248 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CCOC)c2ccco2)CC1 ZINC000272548800 402951723 /nfs/dbraw/zinc/95/17/23/402951723.db2.gz LXQIJTZRJAIAMT-OAHLLOKOSA-N 0 3 321.421 2.307 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000272978601 402962602 /nfs/dbraw/zinc/96/26/02/402962602.db2.gz OYIYBTKAIASSCB-RNEAKCBISA-N 0 3 301.390 2.047 20 30 DEEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CO[C@H](C)COC ZINC000279196585 402915147 /nfs/dbraw/zinc/91/51/47/402915147.db2.gz AGKLJJBNCRJPLK-SJLPKXTDSA-N 0 3 307.434 2.477 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000265518341 402925803 /nfs/dbraw/zinc/92/58/03/402925803.db2.gz SJZVVFOCIQQVAP-CQSZACIVSA-N 0 3 316.405 2.372 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000273383631 403000112 /nfs/dbraw/zinc/00/01/12/403000112.db2.gz IVIDMGPAIZLMMT-AWEZNQCLSA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3cc(C)ccc3O2)CC1 ZINC000280481137 403003735 /nfs/dbraw/zinc/00/37/35/403003735.db2.gz JFEGNFWHXDPMSY-GOSISDBHSA-N 0 3 314.429 2.455 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1N1CCCC1 ZINC000273532564 403012614 /nfs/dbraw/zinc/01/26/14/403012614.db2.gz RIWPMJBKYOOEHI-CVEARBPZSA-N 0 3 315.442 2.210 20 30 DEEDHN C=CCNC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273575611 403016834 /nfs/dbraw/zinc/01/68/34/403016834.db2.gz YXKKUGZMPGNZPF-JKSUJKDBSA-N 0 3 306.381 2.280 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc(C#N)cc2)CCSC1 ZINC000267121685 403017296 /nfs/dbraw/zinc/01/72/96/403017296.db2.gz AWTUJQASNFKKCB-OAHLLOKOSA-N 0 3 304.419 2.117 20 30 DEEDHN CN(CCOc1cccc(C#N)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280654712 403024112 /nfs/dbraw/zinc/02/41/12/403024112.db2.gz ZLJNAZQUEYWKAJ-GOSISDBHSA-N 0 3 323.396 2.486 20 30 DEEDHN COCC1=CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280205776 402975206 /nfs/dbraw/zinc/97/52/06/402975206.db2.gz FPZXRUXMLLBDPK-QGZVFWFLSA-N 0 3 309.369 2.046 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000280268555 402981854 /nfs/dbraw/zinc/98/18/54/402981854.db2.gz LUSWTUVALQUYDM-STQMWFEESA-N 0 3 306.406 2.088 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c(C#N)c1C ZINC000273961096 403029062 /nfs/dbraw/zinc/02/90/62/403029062.db2.gz GNGXYUNREXPLKG-MDZLAQPJSA-N 0 3 305.378 2.110 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCOC2)c(C#N)c1C ZINC000273961096 403029063 /nfs/dbraw/zinc/02/90/63/403029063.db2.gz GNGXYUNREXPLKG-MDZLAQPJSA-N 0 3 305.378 2.110 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@](C)(O)C(=O)OCC ZINC000274194098 403034154 /nfs/dbraw/zinc/03/41/54/403034154.db2.gz LJSBXCLCTDZNBD-QGZVFWFLSA-N 0 3 304.390 2.084 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000274210640 403035578 /nfs/dbraw/zinc/03/55/78/403035578.db2.gz NLEDXWXYJTVPIK-HLLBOEOZSA-N 0 3 314.433 2.308 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280853273 403043310 /nfs/dbraw/zinc/04/33/10/403043310.db2.gz KIOQPUVQSRDADQ-QGZVFWFLSA-N 0 3 322.412 2.007 20 30 DEEDHN CCc1nnc(N(C)C[C@@H]2CCCN(C)C2)c(C#N)c1CC ZINC000268164693 403056364 /nfs/dbraw/zinc/05/63/64/403056364.db2.gz HYVRFGNRCBVQCL-CYBMUJFWSA-N 0 3 301.438 2.251 20 30 DEEDHN CSCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281219428 403061313 /nfs/dbraw/zinc/06/13/13/403061313.db2.gz JOJGNMJFGTWAPC-HNNXBMFYSA-N 0 3 301.415 2.452 20 30 DEEDHN C[C@H](NC(=O)N(C)CCN(C)C1CC1)c1ccc(C#N)cc1 ZINC000274633701 403073573 /nfs/dbraw/zinc/07/35/73/403073573.db2.gz XHFBADWEAMDBAA-ZDUSSCGKSA-N 0 3 300.406 2.355 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000281659706 403078913 /nfs/dbraw/zinc/07/89/13/403078913.db2.gz KRKNACWXKWNROR-WMZOPIPTSA-N 0 3 318.417 2.223 20 30 DEEDHN CN1CCN(CCNc2c(F)cc(C#N)cc2F)CC1(C)C ZINC000281703386 403083467 /nfs/dbraw/zinc/08/34/67/403083467.db2.gz TWESUBMSOGREGE-UHFFFAOYSA-N 0 3 308.376 2.274 20 30 DEEDHN C=CCN1CC[C@@H](N[C@H](CC)c2ccc3c(c2)OCCO3)C1=O ZINC000282052766 403117652 /nfs/dbraw/zinc/11/76/52/403117652.db2.gz RRTSINWDHFDHAD-HUUCEWRRSA-N 0 3 316.401 2.285 20 30 DEEDHN CO/N=C/C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000282991046 403164542 /nfs/dbraw/zinc/16/45/42/403164542.db2.gz NZNKLOXKJQUPOS-HNEYUBDGSA-N 0 3 309.435 2.270 20 30 DEEDHN CCOC(=O)Nc1ccc(NC(=O)/C=C/CN(C)C)cc1C#N ZINC000269802383 403167225 /nfs/dbraw/zinc/16/72/25/403167225.db2.gz ROAPUKZHLCFNMA-AATRIKPKSA-N 0 3 316.361 2.183 20 30 DEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000282422607 403152595 /nfs/dbraw/zinc/15/25/95/403152595.db2.gz CUMWYEFXYQEZOP-SJKOYZFVSA-N 0 3 302.374 2.198 20 30 DEEDHN C=CCCN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000276202582 403153097 /nfs/dbraw/zinc/15/30/97/403153097.db2.gz YYRBYALBRTYXSK-UHFFFAOYSA-N 0 3 305.422 2.345 20 30 DEEDHN C=CC[C@H](CC)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000282656106 403157794 /nfs/dbraw/zinc/15/77/94/403157794.db2.gz PNKIIYBOAOGSOO-HNNXBMFYSA-N 0 3 320.437 2.176 20 30 DEEDHN Cc1cnc(C2CCN(CCC(=O)N(C)CCC#N)CC2)s1 ZINC000277371082 403210457 /nfs/dbraw/zinc/21/04/57/403210457.db2.gz IYMUUANTDJGVSO-UHFFFAOYSA-N 0 3 320.462 2.393 20 30 DEEDHN CCN1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000283756408 403220570 /nfs/dbraw/zinc/22/05/70/403220570.db2.gz MCGNOXBKLSRKSC-CYBMUJFWSA-N 0 3 303.366 2.335 20 30 DEEDHN C#Cc1cccc(NC(=O)NCCCN2CCCO[C@@H](C)C2)c1 ZINC000277590514 403234227 /nfs/dbraw/zinc/23/42/27/403234227.db2.gz UUYPLGHNUVRKDF-HNNXBMFYSA-N 0 3 315.417 2.290 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2nc(CC)cs2)CC1 ZINC000283367765 403192647 /nfs/dbraw/zinc/19/26/47/403192647.db2.gz YXRUBNRVDNPDIW-UHFFFAOYSA-N 0 3 307.463 2.405 20 30 DEEDHN CC(C)(C)[C@H]1CCCN1CC(=O)NC(=O)NCC(F)(F)F ZINC000330626344 403291868 /nfs/dbraw/zinc/29/18/68/403291868.db2.gz VEICJDFWRKLBBD-SECBINFHSA-N 0 3 309.332 2.089 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000270917104 403239720 /nfs/dbraw/zinc/23/97/20/403239720.db2.gz JIKCEVKHLLHECF-ITRAFESCSA-N 0 3 317.433 2.469 20 30 DEEDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(OCC#N)cc1 ZINC000284079438 403243683 /nfs/dbraw/zinc/24/36/83/403243683.db2.gz LIZUGRKZZDMDHM-ZIAGYGMSSA-N 0 3 322.430 2.064 20 30 DEEDHN C#CCOc1ccc(CN2CCC(NC(=O)C(C)C)CC2)cc1 ZINC000271063962 403259978 /nfs/dbraw/zinc/25/99/78/403259978.db2.gz ZKVOWDNIAVQKLJ-UHFFFAOYSA-N 0 3 314.429 2.435 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000285198442 403279379 /nfs/dbraw/zinc/27/93/79/403279379.db2.gz SPEPPRHUEDOOPV-JSGCOSHPSA-N 0 3 306.406 2.435 20 30 DEEDHN CCCN(CCN1CCCCC1)C(=O)C1(C#N)CCOCC1 ZINC000342791169 403351832 /nfs/dbraw/zinc/35/18/32/403351832.db2.gz FMPDQQBPPMAYHU-UHFFFAOYSA-N 0 3 307.438 2.031 20 30 DEEDHN COCCN(CCCOc1ccc(F)cc1)C(=O)C(C)C#N ZINC000345513534 403363223 /nfs/dbraw/zinc/36/32/23/403363223.db2.gz WORPAHDNLCRKPA-CYBMUJFWSA-N 0 3 308.353 2.229 20 30 DEEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000342760093 403339483 /nfs/dbraw/zinc/33/94/83/403339483.db2.gz DHRYAWMIRZJYCB-UHFFFAOYSA-N 0 3 306.406 2.170 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000285775771 403377075 /nfs/dbraw/zinc/37/70/75/403377075.db2.gz UHIFOBKULPYWIB-BMIGLBTASA-N 0 3 303.793 2.424 20 30 DEEDHN CCCN(CCN1CCCC1)CC(=O)Nc1cccc(C#N)c1 ZINC000285827763 403388833 /nfs/dbraw/zinc/38/88/33/403388833.db2.gz HCEVXOQGRIOQQW-UHFFFAOYSA-N 0 3 314.433 2.305 20 30 DEEDHN C#CCNC(=O)CCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000293215330 403417324 /nfs/dbraw/zinc/41/73/24/403417324.db2.gz VFBRTPZGXPDFLS-YOEHRIQHSA-N 0 3 302.443 2.305 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000345676741 403432355 /nfs/dbraw/zinc/43/23/55/403432355.db2.gz VHEOKXRSPJCJGA-UWVGGRQHSA-N 0 3 311.179 2.492 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2c(F)cccc2F)CC1 ZINC000299171067 403539784 /nfs/dbraw/zinc/53/97/84/403539784.db2.gz XHWDSWLSZLVSPF-GFCCVEGCSA-N 0 3 306.356 2.487 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000299171794 403540799 /nfs/dbraw/zinc/54/07/99/403540799.db2.gz UMDWKVUHNUKHCH-UHFFFAOYSA-N 0 3 314.404 2.319 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000293585391 403510740 /nfs/dbraw/zinc/51/07/40/403510740.db2.gz UCHDXTMBYHIRJV-OAHLLOKOSA-N 0 3 304.821 2.486 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000332547799 403590484 /nfs/dbraw/zinc/59/04/84/403590484.db2.gz DFKKOEAKIUMUBT-TWMKSMIVSA-N 0 3 323.481 2.387 20 30 DEEDHN C[C@@H](CO)N1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000346666572 403596911 /nfs/dbraw/zinc/59/69/11/403596911.db2.gz YNBJDCZXTOTQGI-HNNXBMFYSA-N 0 3 306.837 2.080 20 30 DEEDHN COCCOCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000299446459 403559423 /nfs/dbraw/zinc/55/94/23/403559423.db2.gz MMCKVAKVXLVERX-UHFFFAOYSA-N 0 3 322.405 2.130 20 30 DEEDHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(C#N)CCc1ccccc1 ZINC000346826109 403604613 /nfs/dbraw/zinc/60/46/13/403604613.db2.gz DVNAANIVCWIIPC-IXDOHACOSA-N 0 3 300.402 2.378 20 30 DEEDHN CCc1nc(C)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)o1 ZINC000293980112 403614844 /nfs/dbraw/zinc/61/48/44/403614844.db2.gz KXOWYYONFFCKIB-OAHLLOKOSA-N 0 3 322.368 2.416 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(C#N)cc3F)[C@H]2C1 ZINC000566996408 292282388 /nfs/dbraw/zinc/28/23/88/292282388.db2.gz ZDEADROKHRVZSC-XYJFISCASA-N 0 3 315.392 2.434 20 30 DEEDHN CC(C#N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000347107159 403616230 /nfs/dbraw/zinc/61/62/30/403616230.db2.gz MMJQQBYTJUKSAF-SECBINFHSA-N 0 3 304.737 2.208 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@](O)(CC)c1cccc(Cl)c1 ZINC000294004724 403621891 /nfs/dbraw/zinc/62/18/91/403621891.db2.gz PDMCPNMDUQSVSF-KRWDZBQOSA-N 0 3 322.836 2.009 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000294046349 403632676 /nfs/dbraw/zinc/63/26/76/403632676.db2.gz SXWRWCUOXQMPFN-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOc1cccc(F)c1 ZINC000294077977 403642007 /nfs/dbraw/zinc/64/20/07/403642007.db2.gz WMHINXWDWZRKMK-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)C(F)F)CC1 ZINC000294122900 403653740 /nfs/dbraw/zinc/65/37/40/403653740.db2.gz SIAXGQUOCNYTNZ-OAHLLOKOSA-N 0 3 306.356 2.454 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnccc1C#N ZINC000343725822 403708457 /nfs/dbraw/zinc/70/84/57/403708457.db2.gz FEOUBYLZYQLXNA-RDTXWAMCSA-N 0 3 320.396 2.204 20 30 DEEDHN CN(c1ccc(C#N)nn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301892208 403696208 /nfs/dbraw/zinc/69/62/08/403696208.db2.gz ADDXUIVCDNDGBM-QGZVFWFLSA-N 0 3 307.401 2.449 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000287947463 403697390 /nfs/dbraw/zinc/69/73/90/403697390.db2.gz HCJGMNCBJGTTHL-INMHGKMJSA-N 0 3 314.433 2.450 20 30 DEEDHN CN(C)CCOc1cc(CNc2c(C#N)cccc2C#N)ccn1 ZINC000302897230 403740483 /nfs/dbraw/zinc/74/04/83/403740483.db2.gz RIVGWEROGLDBBD-UHFFFAOYSA-N 0 3 321.384 2.377 20 30 DEEDHN N#CCCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000343987701 403827838 /nfs/dbraw/zinc/82/78/38/403827838.db2.gz GXUDCXNCMKAOAU-UHFFFAOYSA-N 0 3 324.494 2.341 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000295288145 403832049 /nfs/dbraw/zinc/83/20/49/403832049.db2.gz AGEIDZHYJIZTGP-SJLPKXTDSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)C[C@H](C)CC)CC1 ZINC000343904038 403784977 /nfs/dbraw/zinc/78/49/77/403784977.db2.gz DHUOWUKVNDYMEZ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000295389389 403896512 /nfs/dbraw/zinc/89/65/12/403896512.db2.gz HLUDNJOIDOIAIG-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN COc1ccccc1-c1noc([C@@H](C)NC(=O)C(C)C#N)n1 ZINC000347752479 403846767 /nfs/dbraw/zinc/84/67/67/403846767.db2.gz KGSHJVUOVKFYJV-VHSXEESVSA-N 0 3 300.318 2.082 20 30 DEEDHN C=CCN1CC[C@@H](N(CCC)CCN2CCCCCC2)C1=O ZINC000344030988 403861134 /nfs/dbraw/zinc/86/11/34/403861134.db2.gz OPQJZNMOPLXBIA-QGZVFWFLSA-N 0 3 307.482 2.361 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000411639791 403921342 /nfs/dbraw/zinc/92/13/42/403921342.db2.gz JGPLZZBPZHSSPC-BBWFWOEESA-N 0 3 309.498 2.319 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)COC(C)(C)C ZINC000344134700 403933548 /nfs/dbraw/zinc/93/35/48/403933548.db2.gz ZAFRXYFEOVWWHQ-KRWDZBQOSA-N 0 3 320.433 2.183 20 30 DEEDHN CO[C@@H]1C[C@@H](CN2CCCC2)N(c2nccc(C#N)c2Cl)C1 ZINC000347902699 403942764 /nfs/dbraw/zinc/94/27/64/403942764.db2.gz BOLRFMKVUVPMGM-UONOGXRCSA-N 0 3 320.824 2.296 20 30 DEEDHN C=C[C@@H](C)NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362380066 403950330 /nfs/dbraw/zinc/95/03/30/403950330.db2.gz OOJZZEKXVLZFLU-CQSZACIVSA-N 0 3 305.422 2.043 20 30 DEEDHN CO/N=C/C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000289558371 403984495 /nfs/dbraw/zinc/98/44/95/403984495.db2.gz SPUDIFCFYFTBMX-CLXYIWAZSA-N 0 3 303.406 2.036 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000295536142 403978513 /nfs/dbraw/zinc/97/85/13/403978513.db2.gz KEXDMIHTSQGTGX-HIPSJFSSSA-N 0 3 315.417 2.223 20 30 DEEDHN C[C@@H]1COCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000369454219 404099096 /nfs/dbraw/zinc/09/90/96/404099096.db2.gz YSUPQJAHWRFTIH-AWEZNQCLSA-N 0 3 310.401 2.427 20 30 DEEDHN C=CCC[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccccc1 ZINC000344310045 404046699 /nfs/dbraw/zinc/04/66/99/404046699.db2.gz GURGFTXXTGMMKX-QZTJIDSGSA-N 0 3 313.445 2.200 20 30 DEEDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C1(C)C ZINC000412076411 404114390 /nfs/dbraw/zinc/11/43/90/404114390.db2.gz NTQDVPDKYIMOAZ-IYOUNJFTSA-N 0 3 321.465 2.367 20 30 DEEDHN C=C(C)CN1CCC(NCc2ncc(C3OCCO3)s2)CC1 ZINC000290319095 404121586 /nfs/dbraw/zinc/12/15/86/404121586.db2.gz JJSNXKQDGBCHSI-UHFFFAOYSA-N 0 3 323.462 2.319 20 30 DEEDHN CN(C)C1(CNC(=O)[C@@H]2CCNC(=O)C2)Cc2ccccc2C1 ZINC000328693525 404132310 /nfs/dbraw/zinc/13/23/10/404132310.db2.gz SENDKFYRRMLMKY-CYBMUJFWSA-N 0 3 315.417 2.409 20 30 DEEDHN CC[C@](C)(C#N)C(=O)N(C)C[C@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000354972205 404133506 /nfs/dbraw/zinc/13/35/06/404133506.db2.gz HZIGFUSXBCMQLM-JFIYKMOQSA-N 0 3 314.433 2.473 20 30 DEEDHN CCN1CCC(NC(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328709901 404137046 /nfs/dbraw/zinc/13/70/46/404137046.db2.gz ANXDSOFVVKZAAL-CYBMUJFWSA-N 0 3 308.426 2.016 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CCCC1 ZINC000341726508 404138400 /nfs/dbraw/zinc/13/84/00/404138400.db2.gz DNPFAPZJAMJBPE-QGZVFWFLSA-N 0 3 315.417 2.174 20 30 DEEDHN CN(C)C1(CN(C)C(=O)Cc2c(F)cccc2C#N)CCC1 ZINC000355014076 404157135 /nfs/dbraw/zinc/15/71/35/404157135.db2.gz QGAGWGFWXUPUKD-UHFFFAOYSA-N 0 3 303.381 2.183 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000329055918 404215950 /nfs/dbraw/zinc/21/59/50/404215950.db2.gz MDIWGYAMLREFFX-RBSFLKMASA-N 0 3 320.437 2.327 20 30 DEEDHN CC(C)N1C[C@H](NCc2cccc(OCCCC#N)c2)CC1=O ZINC000344473308 404164180 /nfs/dbraw/zinc/16/41/80/404164180.db2.gz KTLOMZBLCUJWEJ-MRXNPFEDSA-N 0 3 315.417 2.468 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328877125 404167562 /nfs/dbraw/zinc/16/75/62/404167562.db2.gz IJKZLOHRFBPPLT-CLWVCHIJSA-N 0 3 309.454 2.178 20 30 DEEDHN CN(CCC#N)C(=O)CCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296321292 404194631 /nfs/dbraw/zinc/19/46/31/404194631.db2.gz OTVNXXHTQBODLU-HNNXBMFYSA-N 0 3 323.824 2.067 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000329120819 404236043 /nfs/dbraw/zinc/23/60/43/404236043.db2.gz KHSPTCRAJQUDCM-KYHPRHEASA-N 0 3 323.481 2.400 20 30 DEEDHN C[C@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCC[C@@H](C)C1 ZINC000349876666 404240519 /nfs/dbraw/zinc/24/05/19/404240519.db2.gz REALJPPGYTZWMI-ZIAGYGMSSA-N 0 3 317.408 2.476 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000341977201 404291576 /nfs/dbraw/zinc/29/15/76/404291576.db2.gz ZFAHMZHNOOZPEN-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C3(CCC3)C2)C1 ZINC000329147506 404244499 /nfs/dbraw/zinc/24/44/99/404244499.db2.gz PABZLSVYNXSLGA-GDBMZVCRSA-N 0 3 321.465 2.466 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000329175242 404255081 /nfs/dbraw/zinc/25/50/81/404255081.db2.gz BMEHPJBXWZEOLF-KBPBESRZSA-N 0 3 320.437 2.103 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000349914121 404257376 /nfs/dbraw/zinc/25/73/76/404257376.db2.gz MDTGNPYEDVEOLX-CYBMUJFWSA-N 0 3 303.381 2.088 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CCO)c2ccccc2)CC1 ZINC000355177598 404261657 /nfs/dbraw/zinc/26/16/57/404261657.db2.gz KKOHFYNVNFPZMV-KRWDZBQOSA-N 0 3 317.433 2.060 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C(F)F)CC1 ZINC000344772462 404360704 /nfs/dbraw/zinc/36/07/04/404360704.db2.gz KYDSIICYAIDTTG-CYBMUJFWSA-N 0 3 301.381 2.466 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329424189 404333185 /nfs/dbraw/zinc/33/31/85/404333185.db2.gz IBHHKGLPLLZKLG-UHOFOFEASA-N 0 3 317.437 2.333 20 30 DEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cnccc2C#N)C1 ZINC000342067678 404344488 /nfs/dbraw/zinc/34/44/88/404344488.db2.gz VLIBYHCLWUZTQA-CYBMUJFWSA-N 0 3 300.406 2.194 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000338119560 404346268 /nfs/dbraw/zinc/34/62/68/404346268.db2.gz PRCXNKUXAQRBKE-INIZCTEOSA-N 0 3 315.417 2.050 20 30 DEEDHN Cc1nc(C2CC2)oc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000329511640 404362140 /nfs/dbraw/zinc/36/21/40/404362140.db2.gz KRKWBKLKNNIUOC-GFCCVEGCSA-N 0 3 320.437 2.049 20 30 DEEDHN O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CCN(C2CC2)C1 ZINC000329324583 404302497 /nfs/dbraw/zinc/30/24/97/404302497.db2.gz VPMYVEUJYKNKGI-CQSZACIVSA-N 0 3 312.417 2.451 20 30 DEEDHN CC(=O)N[C@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)C1CCCC1 ZINC000329517422 404362948 /nfs/dbraw/zinc/36/29/48/404362948.db2.gz ZCBAKHFUMXELLL-DOTOQJQBSA-N 0 3 307.438 2.076 20 30 DEEDHN COCCC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000291183944 404375976 /nfs/dbraw/zinc/37/59/76/404375976.db2.gz JYVYCCINLRYPHK-MRXNPFEDSA-N 0 3 311.385 2.126 20 30 DEEDHN CC[C@H](C[C@@H](C)CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350474556 404396779 /nfs/dbraw/zinc/39/67/79/404396779.db2.gz HELFURUMYMWVMO-XOKHGSTOSA-N 0 3 313.401 2.154 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(CSC)c1 ZINC000297013822 404413455 /nfs/dbraw/zinc/41/34/55/404413455.db2.gz VRURONBNUSQFEC-UHFFFAOYSA-N 0 3 319.474 2.304 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000350560714 404419661 /nfs/dbraw/zinc/41/96/61/404419661.db2.gz UWNKPMBHJLLESP-NVXWUHKLSA-N 0 3 314.433 2.310 20 30 DEEDHN C[C@H](NC(=O)NCC1(CCO)CCCC1)C1=CCN(C)CC1 ZINC000329714971 404431473 /nfs/dbraw/zinc/43/14/73/404431473.db2.gz UHHWCMKGYQFOFZ-AWEZNQCLSA-N 0 3 309.454 2.083 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329938593 404500494 /nfs/dbraw/zinc/50/04/94/404500494.db2.gz SOOTYESQVHPKQL-YOEHRIQHSA-N 0 3 309.454 2.010 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccc(C#N)cc1 ZINC000291745232 404501992 /nfs/dbraw/zinc/50/19/92/404501992.db2.gz ZDCULMPFMFLUHB-KDOFPFPSSA-N 0 3 312.417 2.356 20 30 DEEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C)C[C@@H]1C ZINC000351071266 404511012 /nfs/dbraw/zinc/51/10/12/404511012.db2.gz CCYRPARGOWBKBL-UONOGXRCSA-N 0 3 324.432 2.273 20 30 DEEDHN N#Cc1ncccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000329742065 404436937 /nfs/dbraw/zinc/43/69/37/404436937.db2.gz WHXWDJFXGRVFAE-HNNXBMFYSA-N 0 3 300.406 2.034 20 30 DEEDHN CCC(=O)N1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000330001429 404523470 /nfs/dbraw/zinc/52/34/70/404523470.db2.gz AHVWABBHZWSECX-GOEBONIOSA-N 0 3 309.454 2.464 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(NC(=O)C3CC3)CC2)CCN1C ZINC000329810920 404458593 /nfs/dbraw/zinc/45/85/93/404458593.db2.gz RARBZEILXXGBRJ-IUODEOHRSA-N 0 3 322.453 2.214 20 30 DEEDHN CCN1CCC(CCNC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000330008471 404525040 /nfs/dbraw/zinc/52/50/40/404525040.db2.gz GQOVBRIFVUIJSH-AWEZNQCLSA-N 0 3 316.467 2.032 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000330218555 404589554 /nfs/dbraw/zinc/58/95/54/404589554.db2.gz OULYMKIWVASKBB-HNNXBMFYSA-N 0 3 307.438 2.242 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330026089 404530625 /nfs/dbraw/zinc/53/06/25/404530625.db2.gz LEIPPRTZVHMJEE-UYSNPLJNSA-N 0 3 321.465 2.464 20 30 DEEDHN C[C@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)C1=CCN(C)CC1 ZINC000330058469 404541813 /nfs/dbraw/zinc/54/18/13/404541813.db2.gz ZAEZZVRNVLSZHO-KBXCAEBGSA-N 0 3 323.481 2.472 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)N1CCCCC1 ZINC000330145026 404565329 /nfs/dbraw/zinc/56/53/29/404565329.db2.gz KYZOGEQOPQFOPM-CZUORRHYSA-N 0 3 307.438 2.217 20 30 DEEDHN CN1CCC(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000330172794 404572444 /nfs/dbraw/zinc/57/24/44/404572444.db2.gz YDYUNUBYUXTHMD-NVXWUHKLSA-N 0 3 317.433 2.362 20 30 DEEDHN CC(C)[C@H](C(=O)N1CC(NC(=O)C2CCC2)C1)N1CCCCC1 ZINC000330182812 404576124 /nfs/dbraw/zinc/57/61/24/404576124.db2.gz PGYZPXKNQYPFHN-MRXNPFEDSA-N 0 3 321.465 2.464 20 30 DEEDHN C=CCN1CC[C@H](NCC(C)(C)c2ccc(OC)cc2)C1=O ZINC000352810017 404638567 /nfs/dbraw/zinc/63/85/67/404638567.db2.gz LETXXAGCQHLKQL-INIZCTEOSA-N 0 3 302.418 2.349 20 30 DEEDHN C[C@@H](CNC(=O)c1cnccc1C#N)N(C)Cc1ccccc1 ZINC000345201234 404610721 /nfs/dbraw/zinc/61/07/21/404610721.db2.gz MQFIZOJXMWEAGZ-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C[C@](CO)(NC([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330309987 404623226 /nfs/dbraw/zinc/62/32/26/404623226.db2.gz UQDGQLKXEMVCBH-RHSMWYFYSA-N 0 3 320.437 2.033 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)c(C#N)c1C ZINC000365346204 404626241 /nfs/dbraw/zinc/62/62/41/404626241.db2.gz VGYSNTCMYJAZJU-HIFRSBDPSA-N 0 3 319.430 2.332 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CSC[C@@H]2C)c(C#N)c1C ZINC000352797814 404629505 /nfs/dbraw/zinc/62/95/05/404629505.db2.gz CLCUXBKMQHLOAQ-GMOODISLSA-N 0 3 307.419 2.436 20 30 DEEDHN C[C@H]1CCCCN1CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000330354888 404635365 /nfs/dbraw/zinc/63/53/65/404635365.db2.gz PYKBJUMAPPLKFN-CWRNSKLLSA-N 0 3 320.437 2.329 20 30 DEEDHN C=CCOc1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1OC ZINC000414559435 404681205 /nfs/dbraw/zinc/68/12/05/404681205.db2.gz PTCMOVWPPHFGED-JKSUJKDBSA-N 0 3 321.417 2.137 20 30 DEEDHN C=C[C@H](CO)Nc1ccnc2cc(OCC)c(OCC)cc21 ZINC000357604368 404739008 /nfs/dbraw/zinc/73/90/08/404739008.db2.gz SAEKAJODNLGJQW-GFCCVEGCSA-N 0 3 302.374 2.413 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CCCCO2)CC1 ZINC000358198529 404756381 /nfs/dbraw/zinc/75/63/81/404756381.db2.gz GOGNIJVLMPBOMB-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353012809 404720562 /nfs/dbraw/zinc/72/05/62/404720562.db2.gz QGOPIRPBPRYYBZ-KYJSFNMBSA-N 0 3 302.418 2.265 20 30 DEEDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2c(F)cccc2C#N)CCN1C ZINC000353232177 404777286 /nfs/dbraw/zinc/77/72/86/404777286.db2.gz SEGCITLMWOSDCJ-OCCSQVGLSA-N 0 3 303.381 2.181 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359227631 404787165 /nfs/dbraw/zinc/78/71/65/404787165.db2.gz OTMPPFQKSQLPJR-HNNXBMFYSA-N 0 3 315.417 2.287 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359221982 404787203 /nfs/dbraw/zinc/78/72/03/404787203.db2.gz GLZXQWNSJBYEHY-QGZVFWFLSA-N 0 3 324.428 2.493 20 30 DEEDHN C=CCN(CCOC)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000359262547 404789027 /nfs/dbraw/zinc/78/90/27/404789027.db2.gz NBWQFBUARYCEDW-MRXNPFEDSA-N 0 3 319.449 2.351 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1CNC ZINC000415020464 404789624 /nfs/dbraw/zinc/78/96/24/404789624.db2.gz GJBYYMHIFGIBTL-ZDUSSCGKSA-N 0 3 303.406 2.206 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000359772414 404804283 /nfs/dbraw/zinc/80/42/83/404804283.db2.gz JFVMETYLNDAMJU-KRWDZBQOSA-N 0 3 320.433 2.395 20 30 DEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC(C)(C)CCC#N ZINC000358714302 404773109 /nfs/dbraw/zinc/77/31/09/404773109.db2.gz TVKPNFHESMSRAT-OAHLLOKOSA-N 0 3 324.469 2.069 20 30 DEEDHN C=C[C@H](CO)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000358765648 404774238 /nfs/dbraw/zinc/77/42/38/404774238.db2.gz FTKGFKPCUUEENM-GDBMZVCRSA-N 0 3 317.433 2.058 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCSC1 ZINC000353556109 404864831 /nfs/dbraw/zinc/86/48/31/404864831.db2.gz BJIBRCDYTXPZGG-MRXNPFEDSA-N 0 3 317.458 2.202 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000415809690 404948950 /nfs/dbraw/zinc/94/89/50/404948950.db2.gz UTDUDDJYTBKIFA-BXUZGUMPSA-N 0 3 302.378 2.101 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000424106551 405008736 /nfs/dbraw/zinc/00/87/36/405008736.db2.gz XUZDFPYHPRMOAP-ARFHVFGLSA-N 0 3 319.380 2.183 20 30 DEEDHN C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@H](N)CCCC#N ZINC000424114280 405011909 /nfs/dbraw/zinc/01/19/09/405011909.db2.gz QVLVVIGZJYBEQV-VXGBXAGGSA-N 0 3 316.430 2.365 20 30 DEEDHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCC#N)C12CCCCC2 ZINC000424120891 405013004 /nfs/dbraw/zinc/01/30/04/405013004.db2.gz HMARKEVXGUOJNP-RRFJBIMHSA-N 0 3 307.438 2.252 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000424118363 405013241 /nfs/dbraw/zinc/01/32/41/405013241.db2.gz DHICMOUXIZDZKM-ZBFHGGJFSA-N 0 3 303.381 2.238 20 30 DEEDHN CO[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424123243 405013994 /nfs/dbraw/zinc/01/39/94/405013994.db2.gz KPIDSPUORPFXEN-KBPBESRZSA-N 0 3 309.797 2.165 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nc(C2CCCCC2)no1 ZINC000424121154 405014002 /nfs/dbraw/zinc/01/40/02/405014002.db2.gz IDUQAEUSXOPOPZ-YPMHNXCESA-N 0 3 319.409 2.316 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000424125324 405015418 /nfs/dbraw/zinc/01/54/18/405015418.db2.gz NSSZSVYQCNWVLM-LSDHHAIUSA-N 0 3 303.431 2.154 20 30 DEEDHN COc1ccccc1C[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424131122 405016493 /nfs/dbraw/zinc/01/64/93/405016493.db2.gz VTBQSAZAUFGCFP-HZPDHXFCSA-N 0 3 317.433 2.400 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1c2ccccc2C[C@@H]1C ZINC000451678927 405017691 /nfs/dbraw/zinc/01/76/91/405017691.db2.gz JAJHVHOLOZOISE-LXZKKBNFSA-N 0 3 300.402 2.287 20 30 DEEDHN CN(Cc1nc2ccccc2s1)C(=O)[C@@H](N)CCCC#N ZINC000424137326 405018101 /nfs/dbraw/zinc/01/81/01/405018101.db2.gz OVVXMBLQQCIWIX-NSHDSACASA-N 0 3 302.403 2.276 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(N2CCCC2)c1 ZINC000424153998 405023781 /nfs/dbraw/zinc/02/37/81/405023781.db2.gz LYVGFGYORVPHIX-RHSMWYFYSA-N 0 3 314.433 2.485 20 30 DEEDHN Cc1ccc(-n2cc(NC(=O)[C@@H](N)CCCC#N)cn2)c(C)c1 ZINC000424170943 405028812 /nfs/dbraw/zinc/02/88/12/405028812.db2.gz LNNJTJUSUNDRCX-HNNXBMFYSA-N 0 3 311.389 2.449 20 30 DEEDHN COc1cccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424059813 404988957 /nfs/dbraw/zinc/98/89/57/404988957.db2.gz BWYDAWNIWCKTGL-CVEARBPZSA-N 0 3 301.390 2.380 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1coc(-c2cccs2)n1 ZINC000424063995 404991725 /nfs/dbraw/zinc/99/17/25/404991725.db2.gz JDHXUQZQZKXFOC-LLVKDONJSA-N 0 3 304.375 2.040 20 30 DEEDHN CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424069760 404994169 /nfs/dbraw/zinc/99/41/69/404994169.db2.gz QPRWJDSKWMOKBO-AWEZNQCLSA-N 0 3 316.405 2.175 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000424082388 404998543 /nfs/dbraw/zinc/99/85/43/404998543.db2.gz LSXDLPJBIAXURH-LBPRGKRZSA-N 0 3 317.286 2.482 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCN(C)[C@H](c3ccccc3)C2)nn1 ZINC000424295958 405060756 /nfs/dbraw/zinc/06/07/56/405060756.db2.gz NWJFSZXEADLHJC-AEFFLSMTSA-N 0 3 311.433 2.389 20 30 DEEDHN C=CCn1cc(CN[C@H](C)CCc2ccc3c(c2)OCO3)nn1 ZINC000424297077 405061499 /nfs/dbraw/zinc/06/14/99/405061499.db2.gz PUXYEPWTOKIDIX-CYBMUJFWSA-N 0 3 314.389 2.304 20 30 DEEDHN C=CC[C@H](CO)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000436412197 405077877 /nfs/dbraw/zinc/07/78/77/405077877.db2.gz OWMFHKUKUARNIE-HNNXBMFYSA-N 0 3 303.381 2.345 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000424530779 405110369 /nfs/dbraw/zinc/11/03/69/405110369.db2.gz LCDHBAHUXIFAOB-UTSKFRMZSA-N 0 3 306.450 2.156 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncccc2CSC)CC1 ZINC000354278091 405137632 /nfs/dbraw/zinc/13/76/32/405137632.db2.gz IHQHWLZSWRMSDW-UHFFFAOYSA-N 0 3 305.447 2.325 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCCN1CCCC1(C)C ZINC000452080649 405155957 /nfs/dbraw/zinc/15/59/57/405155957.db2.gz CHSYTRKMKYUASG-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000354396677 405193764 /nfs/dbraw/zinc/19/37/64/405193764.db2.gz WEWAQOASAKJMCI-INIZCTEOSA-N 0 3 314.433 2.228 20 30 DEEDHN Cc1oc(NC(=O)CN(C)[C@@H]2CCN(C(C)C)C2)c(C#N)c1C ZINC000452117050 405177229 /nfs/dbraw/zinc/17/72/29/405177229.db2.gz NISFHMXCEHEOPF-CQSZACIVSA-N 0 3 318.421 2.121 20 30 DEEDHN C=CCC[C@H]1NC(=O)N([C@H](C)CN(C)Cc2ccccc2)C1=O ZINC000419940343 405273481 /nfs/dbraw/zinc/27/34/81/405273481.db2.gz KMNJNESVGJRJTC-GDBMZVCRSA-N 0 3 315.417 2.394 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000437995524 405228212 /nfs/dbraw/zinc/22/82/12/405228212.db2.gz RNJNPOUZTLWPND-PVAVHDDUSA-N 0 3 323.481 2.339 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000438206505 405237537 /nfs/dbraw/zinc/23/75/37/405237537.db2.gz YLHPFKLFVZMGPT-YPMHNXCESA-N 0 3 302.378 2.171 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)[C@@H]2C1 ZINC000425061215 405239985 /nfs/dbraw/zinc/23/99/85/405239985.db2.gz YELGQDGAWZXTCH-DOTOQJQBSA-N 0 3 309.413 2.142 20 30 DEEDHN COCCCCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000419396473 405247703 /nfs/dbraw/zinc/24/77/03/405247703.db2.gz ZVLVACZCENUXPA-MRXNPFEDSA-N 0 3 301.390 2.022 20 30 DEEDHN COc1cc(CNC[C@H]2CN(CC(C)C)CCO2)ccc1C#N ZINC000440803212 405327212 /nfs/dbraw/zinc/32/72/12/405327212.db2.gz CBUBYWHSEKQMJJ-KRWDZBQOSA-N 0 3 317.433 2.013 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000426042999 405336637 /nfs/dbraw/zinc/33/66/37/405336637.db2.gz GHDUNNOTXQAGJD-IRXDYDNUSA-N 0 3 322.497 2.010 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1(O)CCCCCC1 ZINC000426232317 405346391 /nfs/dbraw/zinc/34/63/91/405346391.db2.gz MOHGUJPHICWGAH-NVXWUHKLSA-N 0 3 323.481 2.446 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCN(C)C1CC1 ZINC000425469657 405295761 /nfs/dbraw/zinc/29/57/61/405295761.db2.gz FRPSYDXKQNFXJW-ZDUSSCGKSA-N 0 3 300.406 2.355 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420961127 405415047 /nfs/dbraw/zinc/41/50/47/405415047.db2.gz IFWQAJQHRPLRQA-INIZCTEOSA-N 0 3 302.422 2.154 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1c(F)cc(C#N)cc1F ZINC000446039629 405366865 /nfs/dbraw/zinc/36/68/65/405366865.db2.gz PFWXKRSXOYDSNY-IINYFYTJSA-N 0 3 307.344 2.249 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000421049788 405440963 /nfs/dbraw/zinc/44/09/63/405440963.db2.gz CZYZDHJNVPIIEQ-CYBMUJFWSA-N 0 3 302.378 2.125 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)o1 ZINC000429826484 405451458 /nfs/dbraw/zinc/45/14/58/405451458.db2.gz IAVOYLZKCPFZKR-UHFFFAOYSA-N 0 3 315.348 2.494 20 30 DEEDHN CN(C)S(=O)(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000449470810 405576163 /nfs/dbraw/zinc/57/61/63/405576163.db2.gz KWRDSBSHQDUHKS-UKRRQHHQSA-N 0 3 321.446 2.109 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000449516813 405593495 /nfs/dbraw/zinc/59/34/95/405593495.db2.gz CLSMRASBYZICLM-WQVCFCJDSA-N 0 3 305.374 2.060 20 30 DEEDHN C=CCN1CC[C@@H](N(C[C@H](C)c2ccccc2)[C@@H](C)CO)C1=O ZINC000558136751 405644687 /nfs/dbraw/zinc/64/46/87/405644687.db2.gz SBIYDHUMFDRRMD-XYJFISCASA-N 0 3 316.445 2.260 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000456961142 405635566 /nfs/dbraw/zinc/63/55/66/405635566.db2.gz HUTSNFYWTLVNQE-KRWDZBQOSA-N 0 3 313.401 2.449 20 30 DEEDHN COC(=O)c1ccc(N[C@H](C)CN2CCCCC2)c(C#N)n1 ZINC000582191705 405691466 /nfs/dbraw/zinc/69/14/66/405691466.db2.gz IKFSXWIRGYSSOY-GFCCVEGCSA-N 0 3 302.378 2.026 20 30 DEEDHN COC[C@@]1(CO)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449694711 405695509 /nfs/dbraw/zinc/69/55/09/405695509.db2.gz HSPSJSWHXWSTOS-SFHVURJKSA-N 0 3 318.417 2.200 20 30 DEEDHN N#CC(C(=O)Cc1ccc(F)c(Cl)c1)C(=O)N1CCCC1 ZINC000528912133 405743187 /nfs/dbraw/zinc/74/31/87/405743187.db2.gz BMCZOQBNLHCCFT-NSHDSACASA-N 0 3 308.740 2.353 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000528916103 405744330 /nfs/dbraw/zinc/74/43/30/405744330.db2.gz FFILDAFNSJEANP-HDNYOTOHSA-N 0 3 314.385 2.071 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000450293003 405820002 /nfs/dbraw/zinc/82/00/02/405820002.db2.gz XRQFEMRDJJQIGI-IAGOWNOFSA-N 0 3 308.385 2.022 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H]2CCCC(=O)N2)ccc1OC ZINC000433195398 405894903 /nfs/dbraw/zinc/89/49/03/405894903.db2.gz UTTHELORXGTRDX-HNNXBMFYSA-N 0 3 318.417 2.408 20 30 DEEDHN CN(C[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343899 405862440 /nfs/dbraw/zinc/86/24/40/405862440.db2.gz RNFCJUONJCKOOI-IBGZPJMESA-N 0 3 311.429 2.102 20 30 DEEDHN C=CC1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433466401 405950912 /nfs/dbraw/zinc/95/09/12/405950912.db2.gz MNEIHZWCRMHXSZ-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN Cc1ccc2ncc(C#N)c(NC[C@H]3CCCN3CCCO)c2c1 ZINC000450595297 405970807 /nfs/dbraw/zinc/97/08/07/405970807.db2.gz MCYHKQZAPSMFHB-MRXNPFEDSA-N 0 3 324.428 2.096 20 30 DEEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cn2)C1 ZINC000562369956 405995362 /nfs/dbraw/zinc/99/53/62/405995362.db2.gz DAIMDIZOZYFXQA-GOEBONIOSA-N 0 3 314.433 2.470 20 30 DEEDHN C[C@@H](CCCOc1ccccc1C(N)=O)NCC1(C#N)CC1 ZINC000562391445 406000259 /nfs/dbraw/zinc/00/02/59/406000259.db2.gz DLWIBCJLSVELIA-ZDUSSCGKSA-N 0 3 301.390 2.226 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459669641 406001505 /nfs/dbraw/zinc/00/15/05/406001505.db2.gz DUERXAVDKNXNHO-JKSUJKDBSA-N 0 3 315.417 2.266 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507220992 406053331 /nfs/dbraw/zinc/05/33/31/406053331.db2.gz CSEDMCMYHGUQEI-KCPJHIHWSA-N 0 3 301.415 2.005 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CNCC1=CCCOC1 ZINC000564868491 406067269 /nfs/dbraw/zinc/06/72/69/406067269.db2.gz GIJZQXSUPDMROP-QGZVFWFLSA-N 0 3 303.402 2.091 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(F)cn2)cc1 ZINC000472353997 406140836 /nfs/dbraw/zinc/14/08/36/406140836.db2.gz HZMYHCALNMRHDW-AWEZNQCLSA-N 0 3 308.316 2.091 20 30 DEEDHN CN1CC[C@@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1 ZINC000534280027 406176137 /nfs/dbraw/zinc/17/61/37/406176137.db2.gz OPYBMDMWRGBOTP-DGCLKSJQSA-N 0 3 322.206 2.082 20 30 DEEDHN CCN1C[C@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C[C@H]1C ZINC000536560937 406265448 /nfs/dbraw/zinc/26/54/48/406265448.db2.gz XZXLDBMPDYVOOY-KGLIPLIRSA-N 0 3 315.417 2.259 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCC[C@@H]1C ZINC000487997102 406282790 /nfs/dbraw/zinc/28/27/90/406282790.db2.gz DNMKGFYPBYJETN-ZMSDIMECSA-N 0 3 309.454 2.178 20 30 DEEDHN CN1CCN(c2ccncc2NCc2ccc(C#N)s2)CC1 ZINC000537319882 406287420 /nfs/dbraw/zinc/28/74/20/406287420.db2.gz YWVRHHSYQXZTFN-UHFFFAOYSA-N 0 3 313.430 2.379 20 30 DEEDHN CC(C)[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000488052152 406290000 /nfs/dbraw/zinc/29/00/00/406290000.db2.gz NEBYLYWPGSZJMP-QGZVFWFLSA-N 0 3 314.433 2.159 20 30 DEEDHN CN(C)CCn1nccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000569879692 406315002 /nfs/dbraw/zinc/31/50/02/406315002.db2.gz DFDVJLMRQDHZHX-UHFFFAOYSA-N 0 3 317.780 2.222 20 30 DEEDHN N#CCC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000541947997 406302436 /nfs/dbraw/zinc/30/24/36/406302436.db2.gz CXWSZQOBXZBKCX-UHFFFAOYSA-N 0 3 311.385 2.298 20 30 DEEDHN COCCN(CCCOc1cccc(C#N)c1)[C@@H]1CCO[C@@H]1C ZINC000489463868 406409131 /nfs/dbraw/zinc/40/91/31/406409131.db2.gz AMYCPSFPNBYSPV-CRAIPNDOSA-N 0 3 318.417 2.453 20 30 DEEDHN COCCN(CCOc1ccc(C#N)cc1)[C@@H]1CCO[C@H]1C ZINC000489500232 406412914 /nfs/dbraw/zinc/41/29/14/406412914.db2.gz RTLFSBAPRMCKGE-WMLDXEAASA-N 0 3 304.390 2.063 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2csc(C(N)=O)c2)CC1 ZINC000640179805 406418102 /nfs/dbraw/zinc/41/81/02/406418102.db2.gz YLHDAHDWOHSSQM-UHFFFAOYSA-N 0 3 322.434 2.009 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000546709914 406376034 /nfs/dbraw/zinc/37/60/34/406376034.db2.gz XBDIAOSPBNKEBW-GFCCVEGCSA-N 0 3 314.389 2.339 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000490574483 406470982 /nfs/dbraw/zinc/47/09/82/406470982.db2.gz YOHVEYRBWWILQF-XJKSGUPXSA-N 0 3 300.402 2.364 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000490649195 406479003 /nfs/dbraw/zinc/47/90/03/406479003.db2.gz FZALWPGVOPGWBU-XJKSGUPXSA-N 0 3 318.367 2.282 20 30 DEEDHN N#CC1(CCCN2CCC[C@@H](N3CCCC3=O)C2)CCOCC1 ZINC000524293796 406444737 /nfs/dbraw/zinc/44/47/37/406444737.db2.gz PPQPYKYSNIHVJZ-MRXNPFEDSA-N 0 3 319.449 2.174 20 30 DEEDHN C#CCN(C)CCCNc1cc(-c2ccccc2)nc2ncnn21 ZINC000491203833 406543922 /nfs/dbraw/zinc/54/39/22/406543922.db2.gz ZQUCQBPKBDRPKK-UHFFFAOYSA-N 0 3 320.400 2.158 20 30 DEEDHN C#C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000491266765 406557909 /nfs/dbraw/zinc/55/79/09/406557909.db2.gz QIBBZGCPONZTJA-JKSUJKDBSA-N 0 3 303.381 2.236 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000490922447 406507106 /nfs/dbraw/zinc/50/71/06/406507106.db2.gz DLVRFNXKOIMYGE-DLBZAZTESA-N 0 3 306.450 2.042 20 30 DEEDHN CSc1cc(C)ccc1CNC[C@H](O)CN(C)CCC#N ZINC000571396784 406515012 /nfs/dbraw/zinc/51/50/12/406515012.db2.gz MIXRKNHASVLCPC-HNNXBMFYSA-N 0 3 307.463 2.013 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000491463132 406598475 /nfs/dbraw/zinc/59/84/75/406598475.db2.gz LSTAAQSYQQAUBL-UHFFFAOYSA-N 0 3 314.389 2.031 20 30 DEEDHN N#Cc1cc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1F ZINC000550502527 406603879 /nfs/dbraw/zinc/60/38/79/406603879.db2.gz KEWIHUMSLDYDIY-SJORKVTESA-N 0 3 304.365 2.107 20 30 DEEDHN CC(C#N)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000491566287 406624014 /nfs/dbraw/zinc/62/40/14/406624014.db2.gz CHQLDCFSLNYHJW-NWDGAFQWSA-N 0 3 309.410 2.298 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cc(C)ccc1F ZINC000491372851 406579838 /nfs/dbraw/zinc/57/98/38/406579838.db2.gz KZXHJCSAWKQTDZ-UHFFFAOYSA-N 0 3 305.397 2.231 20 30 DEEDHN C#CCN(C)CCCN[C@H](C)c1ccc(Br)cn1 ZINC000491709604 406682140 /nfs/dbraw/zinc/68/21/40/406682140.db2.gz QWKPNLXGOKRCAT-GFCCVEGCSA-N 0 3 310.239 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000491817928 406733974 /nfs/dbraw/zinc/73/39/74/406733974.db2.gz PKPJMYMJJCKWRL-UHFFFAOYSA-N 0 3 324.428 2.191 20 30 DEEDHN CN(C)CCNC(=O)c1ccc(NCc2ccc(C#N)o2)cc1 ZINC000527763699 406742499 /nfs/dbraw/zinc/74/24/99/406742499.db2.gz OFZPDDUONMUUFU-UHFFFAOYSA-N 0 3 312.373 2.055 20 30 DEEDHN C[C@H]1CCN(C)CCN1C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491891441 406767532 /nfs/dbraw/zinc/76/75/32/406767532.db2.gz ZDYABFNSTVXFTJ-KKTNHOPESA-N 0 3 313.401 2.155 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)CCN1C ZINC000491933476 406782407 /nfs/dbraw/zinc/78/24/07/406782407.db2.gz BVQNMOINCJWOBD-LTVAEWHBSA-N 0 3 313.401 2.201 20 30 DEEDHN CC(C)[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(F)cc1 ZINC000576089174 406828469 /nfs/dbraw/zinc/82/84/69/406828469.db2.gz KKLLQWZMWMBOJM-IRXDYDNUSA-N 0 3 307.413 2.319 20 30 DEEDHN CC(C)[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(F)cc1 ZINC000576089175 406828550 /nfs/dbraw/zinc/82/85/50/406828550.db2.gz KKLLQWZMWMBOJM-SJORKVTESA-N 0 3 307.413 2.319 20 30 DEEDHN C[C@@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCOC1(C)C ZINC000576444702 406831097 /nfs/dbraw/zinc/83/10/97/406831097.db2.gz LUASMEPZJSDCSC-XJKSGUPXSA-N 0 3 311.385 2.266 20 30 DEEDHN CC(C)(CC#N)CNC[C@H](O)COc1cccc2[nH]ccc21 ZINC000576578316 406831533 /nfs/dbraw/zinc/83/15/33/406831533.db2.gz KZXBWGPLFQEKIX-ZDUSSCGKSA-N 0 3 301.390 2.437 20 30 DEEDHN CC#CC[C@@H](CO)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000641769766 406888406 /nfs/dbraw/zinc/88/84/06/406888406.db2.gz ZXXQNRKYTABSIK-INIZCTEOSA-N 0 3 315.392 2.492 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(OCC)c2)[C@H]1C ZINC001088883643 782016478 /nfs/dbraw/zinc/01/64/78/782016478.db2.gz ABPWDDWCQLKTFM-PBHICJAKSA-N 0 3 300.402 2.301 20 30 DEEDHN COc1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1C ZINC000131476852 196172327 /nfs/dbraw/zinc/17/23/27/196172327.db2.gz AIOLZCYTZXYOHX-UHFFFAOYSA-N 0 3 303.406 2.198 20 30 DEEDHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000190530060 225089424 /nfs/dbraw/zinc/08/94/24/225089424.db2.gz BWCGQQMFROPBIT-CYBMUJFWSA-N 0 3 320.462 2.282 20 30 DEEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(OC)c1OC ZINC000330889523 226039863 /nfs/dbraw/zinc/03/98/63/226039863.db2.gz BIXSOVSEMIRLPP-DGCLKSJQSA-N 0 3 322.405 2.500 20 30 DEEDHN C[C@H](O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331180323 226066982 /nfs/dbraw/zinc/06/69/82/226066982.db2.gz GVNIKRWHPURLNQ-WMLDXEAASA-N 0 3 300.402 2.378 20 30 DEEDHN C[C@]1(CNC(=O)CSCC#N)CCN(Cc2ccccc2)C1 ZINC000370590551 227055190 /nfs/dbraw/zinc/05/51/90/227055190.db2.gz WWMPAMCYQRYKDR-QGZVFWFLSA-N 0 3 317.458 2.272 20 30 DEEDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000411963545 227560517 /nfs/dbraw/zinc/56/05/17/227560517.db2.gz CKRZPZDXAGFCBP-SJCJKPOMSA-N 0 3 301.390 2.290 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)[C@H]1C ZINC001088892729 782025674 /nfs/dbraw/zinc/02/56/74/782025674.db2.gz NUVQMVWYANXTQL-ISTRZQFTSA-N 0 3 318.392 2.284 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCOc2ccc(F)cc2)C[C@@H]1C ZINC001328267005 1148759678 /nfs/dbraw/zinc/75/96/78/1148759678.db2.gz MKNKFEYFKUKNIH-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN Cc1cc(NC(=O)N(CCN(C)C)CC(C)C)ncc1C#N ZINC000603120338 422447642 /nfs/dbraw/zinc/44/76/42/422447642.db2.gz NNPMRHDMVWJVNZ-UHFFFAOYSA-N 0 3 303.410 2.313 20 30 DEEDHN Cc1cc(NC(=O)CCN[C@H](CCC#N)c2ccccc2)no1 ZINC000553054966 424877181 /nfs/dbraw/zinc/87/71/81/424877181.db2.gz YOBHADDLZYENDB-OAHLLOKOSA-N 0 3 312.373 2.946 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CN(CC)C[C@H]2C)cc1 ZINC000649113325 424956392 /nfs/dbraw/zinc/95/63/92/424956392.db2.gz YULQQSKMGSOIMW-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN CSC1(CNc2nc(C#N)c(Cl)s2)CCN(C)CC1 ZINC000596237193 425022385 /nfs/dbraw/zinc/02/23/85/425022385.db2.gz ATVCWOWFUNKZSD-UHFFFAOYSA-N 0 3 316.883 2.907 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCN1CCCCC1 ZINC000651076353 425098522 /nfs/dbraw/zinc/09/85/22/425098522.db2.gz CUPQTVKMYPUGAE-JKSUJKDBSA-N 0 3 309.454 2.095 20 30 DEEDHN FC1(F)C[C@@]12CCN(CC#CCN1CC[C@]3(CC3(F)F)C1)C2 ZINC000649908108 425100355 /nfs/dbraw/zinc/10/03/55/425100355.db2.gz HAEZHNQQUBPGEI-OKILXGFUSA-N 0 3 316.342 2.452 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H]1CCCc2ccccc21 ZINC000650029281 425112888 /nfs/dbraw/zinc/11/28/88/425112888.db2.gz NGGTZZXMAGIFDO-BBWFWOEESA-N 0 3 300.402 2.113 20 30 DEEDHN C=CCCn1cc(CN[C@@H](C(C)C)C2(CO)CC=CC2)nn1 ZINC000653776981 425225128 /nfs/dbraw/zinc/22/51/28/425225128.db2.gz GTMJJKFAWDNTLF-INIZCTEOSA-N 0 3 304.438 2.297 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C(C)(C)CC)CC1 ZINC000653809406 425232831 /nfs/dbraw/zinc/23/28/31/425232831.db2.gz WMTUXFXJWQFWKZ-MRXNPFEDSA-N 0 3 307.482 2.382 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661120456 425327913 /nfs/dbraw/zinc/32/79/13/425327913.db2.gz OVRCFRGFCUSRQB-ILXRZTDVSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCC1(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CCCC1 ZINC000664217633 425333765 /nfs/dbraw/zinc/33/37/65/425333765.db2.gz BQINGFCPRFGMPR-INIZCTEOSA-N 0 3 322.497 2.058 20 30 DEEDHN C=CCN(C(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@@H](C)COC ZINC000664033605 425293872 /nfs/dbraw/zinc/29/38/72/425293872.db2.gz SRAFQHZGQGCYJE-OAGGEKHMSA-N 0 3 311.470 2.482 20 30 DEEDHN C[C@H](C[C@@H]1CCCO1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349530914 267166391 /nfs/dbraw/zinc/16/63/91/267166391.db2.gz WUBNCHGURFAXPJ-XYPHTWIQSA-N 0 3 311.385 2.314 20 30 DEEDHN C=CCN(C[C@H](O)COc1cccc2[nH]ccc21)[C@@H](C)COC ZINC000661241927 425359687 /nfs/dbraw/zinc/35/96/87/425359687.db2.gz FDKOQKQVDDZIDD-GJZGRUSLSA-N 0 3 318.417 2.431 20 30 DEEDHN C=CCCn1cc(CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)nn1 ZINC000657689345 425386104 /nfs/dbraw/zinc/38/61/04/425386104.db2.gz LYNCSCIMTCGMJT-RDJZCZTQSA-N 0 3 314.437 2.089 20 30 DEEDHN C=CC[C@@H]1CCCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000661380521 425393952 /nfs/dbraw/zinc/39/39/52/425393952.db2.gz NIAGJTDSVCQNAM-ZBFHGGJFSA-N 0 3 302.422 2.204 20 30 DEEDHN C=CCN(CCOC)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659044016 425524432 /nfs/dbraw/zinc/52/44/32/425524432.db2.gz RQGADVNCWWJCHQ-INIZCTEOSA-N 0 3 319.405 2.014 20 30 DEEDHN C=CCC1(NC(=O)C(=O)Nc2ccccc2CNC)CCCC1 ZINC000659102980 425528408 /nfs/dbraw/zinc/52/84/08/425528408.db2.gz KYEGHRIWGNYOCX-UHFFFAOYSA-N 0 3 315.417 2.350 20 30 DEEDHN C=CCOCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000666526418 425770151 /nfs/dbraw/zinc/77/01/51/425770151.db2.gz ZOCSTXUFKNCLSV-UHFFFAOYSA-N 0 3 323.481 2.487 20 30 DEEDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(C#N)o2)C1 ZINC000495567020 269155451 /nfs/dbraw/zinc/15/54/51/269155451.db2.gz SGKWRYCTFAYZPI-QWHCGFSZSA-N 0 3 305.378 2.498 20 30 DEEDHN CS[C@@H]1CN(c2ncc(Cl)c(C)c2C#N)C[C@H]1N(C)C ZINC000273404041 274183505 /nfs/dbraw/zinc/18/35/05/274183505.db2.gz WRXXUWWQWHZEEY-CHWSQXEVSA-N 0 3 310.854 2.397 20 30 DEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1CC#Cc1cccc(Cl)c1 ZINC000189436150 274346767 /nfs/dbraw/zinc/34/67/67/274346767.db2.gz UEXCLSXHJWFEKV-OAHLLOKOSA-N 0 3 320.864 2.469 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000298160371 275384660 /nfs/dbraw/zinc/38/46/60/275384660.db2.gz SIGLKPSSQYDVCD-QGPMSJSTSA-N 0 3 312.413 2.168 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCOc3ccccc32)[C@H]1C ZINC001088923852 782049983 /nfs/dbraw/zinc/04/99/83/782049983.db2.gz WLPKSLWKGSVUKU-OIISXLGYSA-N 0 3 312.413 2.155 20 30 DEEDHN CN1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000170698980 277048395 /nfs/dbraw/zinc/04/83/95/277048395.db2.gz AQNWNHZAAUKXEX-UHFFFAOYSA-N 0 3 303.410 2.284 20 30 DEEDHN CN1CCN(C)[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838769 277101805 /nfs/dbraw/zinc/10/18/05/277101805.db2.gz DYJHSDIKHQOOSH-HKUYNNGSSA-N 0 3 312.461 2.161 20 30 DEEDHN COC[C@@H]1CCCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000369255437 277250487 /nfs/dbraw/zinc/25/04/87/277250487.db2.gz WCLSBOUINUAZHO-MRXNPFEDSA-N 0 3 321.465 2.420 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCOc3ccccc32)[C@H]1C ZINC001088923875 782050789 /nfs/dbraw/zinc/05/07/89/782050789.db2.gz XKUHBMGARZDNJG-KBMXLJTQSA-N 0 3 300.402 2.318 20 30 DEEDHN CSC1(CNC(=O)C2(C#N)CCCCC2)CCN(C)CC1 ZINC000358137675 277506815 /nfs/dbraw/zinc/50/68/15/277506815.db2.gz ZJOOUKGIVMSLPX-UHFFFAOYSA-N 0 3 309.479 2.404 20 30 DEEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1CNS(C)(=O)=O ZINC000336845498 278256950 /nfs/dbraw/zinc/25/69/50/278256950.db2.gz UWICDWJSNRKPSQ-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN N#Cc1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1 ZINC000045091321 281441530 /nfs/dbraw/zinc/44/15/30/281441530.db2.gz FCMOAHLPJUTMML-UHFFFAOYSA-N 0 3 303.369 2.488 20 30 DEEDHN CC[C@](C)(C#N)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351816426 288382605 /nfs/dbraw/zinc/38/26/05/288382605.db2.gz RCVKEBPIZXSBEV-IIDMSEBBSA-N 0 3 321.465 2.274 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000269100481 290244465 /nfs/dbraw/zinc/24/44/65/290244465.db2.gz RTFDZGPEDOUFOA-KGLIPLIRSA-N 0 3 300.362 2.387 20 30 DEEDHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000191719690 294335065 /nfs/dbraw/zinc/33/50/65/294335065.db2.gz REXLGZLSGJMZCM-SOUVJXGZSA-N 0 3 303.406 2.335 20 30 DEEDHN Cc1ccc(F)c(CNC2CC(N(C)C(=O)[C@@H](C)C#N)C2)c1 ZINC001423670570 1173480104 /nfs/dbraw/zinc/48/01/04/1173480104.db2.gz QMUYHZQYEKXUDV-GRTSSRMGSA-N 0 3 303.381 2.373 20 30 DEEDHN C[C@H](CNC(=O)N1CCCC[C@H]1c1ccnn1C)N(C)C1CC1 ZINC000329284584 298244310 /nfs/dbraw/zinc/24/43/10/298244310.db2.gz GDOWQVLSHJPNJV-CJNGLKHVSA-N 0 3 319.453 2.344 20 30 DEEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000299668879 298365491 /nfs/dbraw/zinc/36/54/91/298365491.db2.gz MBODTRAQXFHAQD-OLZOCXBDSA-N 0 3 309.435 2.280 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(OC)c(Cl)n1 ZINC001349701475 1151273869 /nfs/dbraw/zinc/27/38/69/1151273869.db2.gz GKDDPIXTNUGEJJ-VIFPVBQESA-N 0 3 304.737 2.450 20 30 DEEDHN Cc1ccc([C@H](CNc2ccnc(C#N)n2)N2CCCC2)cc1 ZINC000573934191 326107432 /nfs/dbraw/zinc/10/74/32/326107432.db2.gz RDFWNCCTIBHHIH-INIZCTEOSA-N 0 3 307.401 2.328 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000576630312 326307186 /nfs/dbraw/zinc/30/71/86/326307186.db2.gz MNYLPKNSNUCWAC-RDJZCZTQSA-N 0 3 318.442 2.358 20 30 DEEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](C)C#N)N(C)C ZINC000557737846 331812806 /nfs/dbraw/zinc/81/28/06/331812806.db2.gz ZNHVUTZABGSWHQ-BJJXKVORSA-N 0 3 302.422 2.445 20 30 DEEDHN COC1CCN(C2(CNC(=O)[C@]3(C#N)C[C@@H]3C)CCCC2)CC1 ZINC000569543720 332132714 /nfs/dbraw/zinc/13/27/14/332132714.db2.gz PFJNXBJUYIARLQ-KSSFIOAISA-N 0 3 319.449 2.076 20 30 DEEDHN C=CCCOCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000534571713 334286855 /nfs/dbraw/zinc/28/68/55/334286855.db2.gz WLVPKFDMTZEYFZ-KRWDZBQOSA-N 0 3 317.433 2.003 20 30 DEEDHN CC1CC(C#N)(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000532323224 336240472 /nfs/dbraw/zinc/24/04/72/336240472.db2.gz PFBMWBQULWZBOR-UHFFFAOYSA-N 0 3 321.490 2.404 20 30 DEEDHN Cc1nc(C)c(CNC[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000390174180 336934861 /nfs/dbraw/zinc/93/48/61/336934861.db2.gz QHTRXDBUSWMZDL-AWEZNQCLSA-N 0 3 317.414 2.161 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)CC1 ZINC000176244121 337149644 /nfs/dbraw/zinc/14/96/44/337149644.db2.gz MVZVVTHWGBEGTF-BEFAXECRSA-N 0 3 316.445 2.308 20 30 DEEDHN Cc1cnn(-c2ccc(C)cc2NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424164105 337788540 /nfs/dbraw/zinc/78/85/40/337788540.db2.gz BSRCNWDDVVLKCK-AWEZNQCLSA-N 0 3 311.389 2.449 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000120120978 337869041 /nfs/dbraw/zinc/86/90/41/337869041.db2.gz MASAZMXQDAOEOY-UHFFFAOYSA-N 0 3 315.348 2.012 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496562308 340007862 /nfs/dbraw/zinc/00/78/62/340007862.db2.gz BPBOLRCVDRNNFI-JSGCOSHPSA-N 0 3 307.394 2.196 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502479222 340105430 /nfs/dbraw/zinc/10/54/30/340105430.db2.gz DUKRFNLETCTPQZ-LALPHHSUSA-N 0 3 317.380 2.181 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503408035 340127545 /nfs/dbraw/zinc/12/75/45/340127545.db2.gz SNYDSESQLWSURO-JHJVBQTASA-N 0 3 302.365 2.325 20 30 DEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cn1 ZINC000505467901 340169203 /nfs/dbraw/zinc/16/92/03/340169203.db2.gz QGSXRLDNYXQOLJ-QWRGUYRKSA-N 0 3 313.279 2.003 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C[C@@H](C)O)CC1 ZINC000176499116 340427878 /nfs/dbraw/zinc/42/78/78/340427878.db2.gz MAQSCQGZMIXQJV-CQSZACIVSA-N 0 3 311.470 2.123 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)NC(C)(C)C#N)cc2)CC1 ZINC000541900725 340988242 /nfs/dbraw/zinc/98/82/42/340988242.db2.gz IVUFZDYRNBOCHF-UHFFFAOYSA-N 0 3 314.433 2.249 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000131673566 341107645 /nfs/dbraw/zinc/10/76/45/341107645.db2.gz KSKKRXUKXOGFRA-GFCCVEGCSA-N 0 3 304.438 2.287 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccn(Cc3ccccc3)n2)CC1 ZINC000548121377 341248132 /nfs/dbraw/zinc/24/81/32/341248132.db2.gz KHOBHIVFDKHZKI-UHFFFAOYSA-N 0 3 324.428 2.312 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1C[C@@H](OC)C1(CC)CC ZINC000248841800 341388360 /nfs/dbraw/zinc/38/83/60/341388360.db2.gz QADDCXBMPRBKQL-QLFBSQMISA-N 0 3 309.454 2.178 20 30 DEEDHN N#CCCC1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000564657786 341506270 /nfs/dbraw/zinc/50/62/70/341506270.db2.gz ODMKHMSYBXPMFG-MRXNPFEDSA-N 0 3 303.381 2.410 20 30 DEEDHN N#CC1CCC(CNCCS(=O)(=O)c2ccccc2)CC1 ZINC000573238008 341722030 /nfs/dbraw/zinc/72/20/30/341722030.db2.gz JNSXBYSVHKGZBF-UHFFFAOYSA-N 0 3 306.431 2.380 20 30 DEEDHN N#CCC[C@H](C#N)CNCCCCN1C(=O)c2ccccc2C1=O ZINC000577205542 341897133 /nfs/dbraw/zinc/89/71/33/341897133.db2.gz LCSLNVHJTZLKLJ-CQSZACIVSA-N 0 3 324.384 2.096 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)[C@H]1C ZINC001089010017 782115870 /nfs/dbraw/zinc/11/58/70/782115870.db2.gz GFLDJLMRFFCZEL-FMKPAKJESA-N 0 3 316.449 2.234 20 30 DEEDHN Cc1nc(CNC2CCC(NC(=O)[C@H](C)C#N)CC2)c(C)s1 ZINC001376660000 1159651091 /nfs/dbraw/zinc/65/10/91/1159651091.db2.gz BCCDABZBBRYKSE-GWMXKSKGSA-N 0 3 320.462 2.437 20 30 DEEDHN COC(=O)CCN1CCC(=NNCc2ccc(C)cc2)CC1 ZINC000835009252 649866009 /nfs/dbraw/zinc/86/60/09/649866009.db2.gz SWWSKHUJCUHNLP-UHFFFAOYSA-N 0 3 303.406 2.100 20 30 DEEDHN Cc1cccnc1CNCC1(NC(=O)[C@H](C)C#N)CCCCC1 ZINC001378401734 1152317858 /nfs/dbraw/zinc/31/78/58/1152317858.db2.gz WOAYXZCSXQXIGN-OAHLLOKOSA-N 0 3 314.433 2.458 20 30 DEEDHN CCCC[C@@H](CN[C@@H](C)c1n[nH]c(C)n1)NC(=O)C#CC(C)C ZINC001329876967 1149008572 /nfs/dbraw/zinc/00/85/72/1149008572.db2.gz TZOUBSCZKZYNLM-ZFWWWQNUSA-N 0 3 319.453 2.098 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccns1 ZINC001377799315 1160829953 /nfs/dbraw/zinc/82/99/53/1160829953.db2.gz CNEBCNISTPXRDS-UWVGGRQHSA-N 0 3 320.443 2.373 20 30 DEEDHN C[C@@H](CNCc1c(F)cccc1Cl)CNC(=O)[C@@H](C)C#N ZINC001378545286 1152370298 /nfs/dbraw/zinc/37/02/98/1152370298.db2.gz AUVLBRRGNGQXIX-QWRGUYRKSA-N 0 3 311.788 2.481 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001329935606 1149018564 /nfs/dbraw/zinc/01/85/64/1149018564.db2.gz FKGNLCXPKJCVNO-INIZCTEOSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCCc2csc(C)n2)C1 ZINC001329998658 1149030888 /nfs/dbraw/zinc/03/08/88/1149030888.db2.gz UKDHVJIYBRNAMU-CYBMUJFWSA-N 0 3 319.474 2.234 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(CCC(F)(F)F)CC1 ZINC001369568417 1149043884 /nfs/dbraw/zinc/04/38/84/1149043884.db2.gz POUALIPKARCESR-WDEREUQCSA-N 0 3 305.344 2.315 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CN(CCc2cnn(C)c2)CC1(C)C ZINC001330203904 1149069119 /nfs/dbraw/zinc/06/91/19/1149069119.db2.gz PUDQFQWSSQUGFZ-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C[C@@H]1C[C@H](CO)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421935422 533882364 /nfs/dbraw/zinc/88/23/64/533882364.db2.gz AEXURCVCTZOUSI-HYVNUMGLSA-N 0 3 300.402 2.236 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1N(C)C ZINC000330696190 534120723 /nfs/dbraw/zinc/12/07/23/534120723.db2.gz DONGODJRNXWJIK-KBPBESRZSA-N 0 3 322.409 2.207 20 30 DEEDHN COc1ccccc1N1CC[C@@H](N[C@H]2CCC[C@H](C#N)C2)C1=O ZINC000193019004 534148252 /nfs/dbraw/zinc/14/82/52/534148252.db2.gz ZAFADUZUMDUTIH-SOUVJXGZSA-N 0 3 313.401 2.472 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccc(NC(=O)[C@@H](C)C#N)cc1)C1CC1 ZINC000346972758 534282007 /nfs/dbraw/zinc/28/20/07/534282007.db2.gz HYIHOMGTIYPXEC-QWHCGFSZSA-N 0 3 324.384 2.435 20 30 DEEDHN CCCOc1ccc(CNC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424164735 517593570 /nfs/dbraw/zinc/59/35/70/517593570.db2.gz CSPVFTZUKJHUDQ-INIZCTEOSA-N 0 3 303.406 2.421 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000493104638 534360416 /nfs/dbraw/zinc/36/04/16/534360416.db2.gz KCCXGQXAJMHRFC-IAGOWNOFSA-N 0 3 302.418 2.346 20 30 DEEDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000835034424 649869465 /nfs/dbraw/zinc/86/94/65/649869465.db2.gz ANUSJYJRYXJWLE-GDPRMGEGSA-N 0 3 309.391 2.399 20 30 DEEDHN CC(=O)NC[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000155779873 519670899 /nfs/dbraw/zinc/67/08/99/519670899.db2.gz RGACAIBFFSTYBG-KRWDZBQOSA-N 0 3 315.417 2.175 20 30 DEEDHN CCN(C)C(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000130341504 520140209 /nfs/dbraw/zinc/14/02/09/520140209.db2.gz ZMIWYVNWCIYTMX-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)[nH]1 ZINC000160594219 521747812 /nfs/dbraw/zinc/74/78/12/521747812.db2.gz SSZWMTIUQHMPDG-UHFFFAOYSA-N 0 3 302.422 2.470 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000451601811 534607719 /nfs/dbraw/zinc/60/77/19/534607719.db2.gz VYRVZEKJESGZPL-GLQYFDAESA-N 0 3 308.809 2.450 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000451612145 534609903 /nfs/dbraw/zinc/60/99/03/534609903.db2.gz ZLZIBJNNIYUQMZ-YCPHGPKFSA-N 0 3 304.365 2.254 20 30 DEEDHN N#CCCCOc1cccc(CN2CC[C@H](CC(N)=O)C2)c1 ZINC000368133413 534615440 /nfs/dbraw/zinc/61/54/40/534615440.db2.gz JDSPORLRUDDQBU-OAHLLOKOSA-N 0 3 301.390 2.066 20 30 DEEDHN CC[C@@H](C)OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000162277192 522240312 /nfs/dbraw/zinc/24/03/12/522240312.db2.gz RBDWALINUHZZLT-OAHLLOKOSA-N 0 3 317.433 2.264 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000452369991 534673856 /nfs/dbraw/zinc/67/38/56/534673856.db2.gz FKASPSAYRPBNBC-AEFFLSMTSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411342501 526516065 /nfs/dbraw/zinc/51/60/65/526516065.db2.gz SGXDUJUJHXHTTN-UHFFFAOYSA-N 0 3 317.433 2.420 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000375861793 526571773 /nfs/dbraw/zinc/57/17/73/526571773.db2.gz PBAMKHXWBGDWGR-BBWFWOEESA-N 0 3 302.418 2.230 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2scnc2C)CC1 ZINC000330637359 526576828 /nfs/dbraw/zinc/57/68/28/526576828.db2.gz ALQSKFFUWHXZQH-UHFFFAOYSA-N 0 3 308.451 2.496 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000264426129 526592158 /nfs/dbraw/zinc/59/21/58/526592158.db2.gz VXNXEBHCCKFPSM-UHFFFAOYSA-N 0 3 303.406 2.232 20 30 DEEDHN N#Cc1ccc([C@@H](NCC2CCC(F)(F)CC2)C(N)=O)cc1 ZINC000336967707 526688620 /nfs/dbraw/zinc/68/86/20/526688620.db2.gz ABEDFTXKMCNBMR-CQSZACIVSA-N 0 3 307.344 2.500 20 30 DEEDHN C=CCOCCN(CC=C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000338990882 526768769 /nfs/dbraw/zinc/76/87/69/526768769.db2.gz VOOIKFQCVLWWSU-HNNXBMFYSA-N 0 3 313.405 2.414 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000332547797 526777123 /nfs/dbraw/zinc/77/71/23/526777123.db2.gz DFKKOEAKIUMUBT-HZMVEIRTSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](OCC)c2ccccc2)CC1 ZINC000192770960 526926183 /nfs/dbraw/zinc/92/61/83/526926183.db2.gz JUSDHVIALLMISN-SFHVURJKSA-N 0 3 314.429 2.226 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000341416816 526956650 /nfs/dbraw/zinc/95/66/50/526956650.db2.gz IVYYWRXENDENGL-HNNXBMFYSA-N 0 3 315.417 2.347 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000341422146 526965131 /nfs/dbraw/zinc/96/51/31/526965131.db2.gz SAIKVAAZUXTAGD-CABCVRRESA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000296003647 527082277 /nfs/dbraw/zinc/08/22/77/527082277.db2.gz MFJDCSMFMUGDBH-IUODEOHRSA-N 0 3 308.809 2.097 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188126621 527100343 /nfs/dbraw/zinc/10/03/43/527100343.db2.gz YRKBRTXMCHARDK-LJQANCHMSA-N 0 3 316.445 2.438 20 30 DEEDHN C=CCc1cc(CN[C@]2(CCOC)CCOC2)cc(OC)c1O ZINC000447073472 527243043 /nfs/dbraw/zinc/24/30/43/527243043.db2.gz VQUGSTXYTPYYQY-GOSISDBHSA-N 0 3 321.417 2.415 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)C[C@H]1CCCO1 ZINC000249726253 527262466 /nfs/dbraw/zinc/26/24/66/527262466.db2.gz QAFPFCUYFUWNEA-IAGOWNOFSA-N 0 3 305.418 2.266 20 30 DEEDHN C#C[C@H](NCc1c(C)nn(CCC(=O)OC)c1C)C(C)(C)C ZINC000290223741 527409787 /nfs/dbraw/zinc/40/97/87/527409787.db2.gz RYUNWRMMXOMQRS-HNNXBMFYSA-N 0 3 305.422 2.201 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000339134772 527629709 /nfs/dbraw/zinc/62/97/09/527629709.db2.gz KTKHIHAHHPTNBB-NVXWUHKLSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000294967361 527639904 /nfs/dbraw/zinc/63/99/04/527639904.db2.gz FGHYPKHJWLZPGK-UHFFFAOYSA-N 0 3 313.401 2.321 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@H](C)C1)C(C)C ZINC000372218400 527644632 /nfs/dbraw/zinc/64/46/32/527644632.db2.gz UCZBPOXGTARLDE-SJORKVTESA-N 0 3 323.481 2.363 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CC[C@@H](O)C1)C(C)C ZINC000248994652 527648273 /nfs/dbraw/zinc/64/82/73/527648273.db2.gz ZETCWYBAZXFSME-GVDBMIGSSA-N 0 3 323.481 2.145 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(O)CCCCC1)C(C)C ZINC000444635212 527648644 /nfs/dbraw/zinc/64/86/44/527648644.db2.gz KEWPBOKKLIWWEU-MRXNPFEDSA-N 0 3 308.466 2.496 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246888213 527891463 /nfs/dbraw/zinc/89/14/63/527891463.db2.gz GFJXHTPRAVFASG-LSDHHAIUSA-N 0 3 307.438 2.076 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000331281496 527938608 /nfs/dbraw/zinc/93/86/08/527938608.db2.gz CJRUNQBDUPNLJW-AHIWAGSCSA-N 0 3 309.454 2.365 20 30 DEEDHN CC(C)OCCCNC(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338907238 527941069 /nfs/dbraw/zinc/94/10/69/527941069.db2.gz IILOOYGCGHWXCM-WBVHZDCISA-N 0 3 321.465 2.322 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000330970846 528732498 /nfs/dbraw/zinc/73/24/98/528732498.db2.gz BKACJWCBKYDUNL-IRXDYDNUSA-N 0 3 311.385 2.124 20 30 DEEDHN CCN1CCN([C@@H](C)CNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC000330601733 529150522 /nfs/dbraw/zinc/15/05/22/529150522.db2.gz GURJOCQLWGKIKZ-AWEZNQCLSA-N 0 3 306.454 2.469 20 30 DEEDHN CCSCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000282761492 529177335 /nfs/dbraw/zinc/17/73/35/529177335.db2.gz VKQUNIKMSBNEBJ-OAHLLOKOSA-N 0 3 301.415 2.500 20 30 DEEDHN CCS[C@@H]1CC[C@H](N(C)CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247547693 529221160 /nfs/dbraw/zinc/22/11/60/529221160.db2.gz PQBMMPKJISHIQD-SQWLQELKSA-N 0 3 309.479 2.401 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001369746593 1149136740 /nfs/dbraw/zinc/13/67/40/1149136740.db2.gz JOIAZVDAZQBFEN-SMDDNHRTSA-N 0 3 310.829 2.443 20 30 DEEDHN C#CCO[C@H](C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000835247188 649896036 /nfs/dbraw/zinc/89/60/36/649896036.db2.gz ZOIPEENILHZORE-CQSZACIVSA-N 0 3 305.374 2.073 20 30 DEEDHN N#Cc1cc(Cl)nc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC001120907654 782185661 /nfs/dbraw/zinc/18/56/61/782185661.db2.gz MVNBSGZFRABFGS-CYBMUJFWSA-N 0 3 306.797 2.272 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H](NCc2ccnc(Cl)c2)[C@@H](C)C1 ZINC001327844724 1148656521 /nfs/dbraw/zinc/65/65/21/1148656521.db2.gz UEHXXMQHRLDAGD-ZFWWWQNUSA-N 0 3 319.836 2.331 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)OCC1CC1 ZINC001379346290 1152612627 /nfs/dbraw/zinc/61/26/27/1152612627.db2.gz WEFCJXJUXKDOOG-NEPJUHHUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=CC[N@@H+](CCCCOC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419274 599268031 /nfs/dbraw/zinc/26/80/31/599268031.db2.gz RGPCBBMHXRLJKE-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@H+](CCCCOC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419274 599268033 /nfs/dbraw/zinc/26/80/33/599268033.db2.gz RGPCBBMHXRLJKE-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@@H+](CCCCOC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419274 599268035 /nfs/dbraw/zinc/26/80/35/599268035.db2.gz RGPCBBMHXRLJKE-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@H+](CCCCOC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419274 599268037 /nfs/dbraw/zinc/26/80/37/599268037.db2.gz RGPCBBMHXRLJKE-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC2(CO[C@@H](CNCCF)C2)CC1 ZINC001330544849 1149187656 /nfs/dbraw/zinc/18/76/56/1149187656.db2.gz ZQDWFZGPMHUQLE-CQSZACIVSA-N 0 3 312.429 2.155 20 30 DEEDHN C[N@@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941017 604496599 /nfs/dbraw/zinc/49/65/99/604496599.db2.gz PRVYMEYNMXVJNA-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941017 604496601 /nfs/dbraw/zinc/49/66/01/604496601.db2.gz PRVYMEYNMXVJNA-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941017 604496602 /nfs/dbraw/zinc/49/66/02/604496602.db2.gz PRVYMEYNMXVJNA-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941017 604496603 /nfs/dbraw/zinc/49/66/03/604496603.db2.gz PRVYMEYNMXVJNA-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN CC[C@H](OC)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000998711441 634384302 /nfs/dbraw/zinc/38/43/02/634384302.db2.gz PCBLIWUAHCLMFH-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)CCc1ccns1 ZINC001368815810 1148685686 /nfs/dbraw/zinc/68/56/86/1148685686.db2.gz WQDRUXPAYPIFBE-KGLIPLIRSA-N 0 3 320.462 2.158 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001379650748 1152664906 /nfs/dbraw/zinc/66/49/06/1152664906.db2.gz IWADZDBREBUTLI-KGLIPLIRSA-N 0 3 301.862 2.048 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819733772 606746379 /nfs/dbraw/zinc/74/63/79/606746379.db2.gz BGGKDRTYDDEEPX-INIZCTEOSA-N 0 3 313.405 2.182 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819733772 606746381 /nfs/dbraw/zinc/74/63/81/606746381.db2.gz BGGKDRTYDDEEPX-INIZCTEOSA-N 0 3 313.405 2.182 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819733772 606746383 /nfs/dbraw/zinc/74/63/83/606746383.db2.gz BGGKDRTYDDEEPX-INIZCTEOSA-N 0 3 313.405 2.182 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819733772 606746385 /nfs/dbraw/zinc/74/63/85/606746385.db2.gz BGGKDRTYDDEEPX-INIZCTEOSA-N 0 3 313.405 2.182 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1C ZINC001355257690 1151996438 /nfs/dbraw/zinc/99/64/38/1151996438.db2.gz FOEUZUKZWVSUIS-KFWWJZLASA-N 0 3 303.454 2.251 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001025225832 625283753 /nfs/dbraw/zinc/28/37/53/625283753.db2.gz HGOIXMHXMYZLDV-SJORKVTESA-N 0 3 313.445 2.426 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)ccc2OC)C1 ZINC001023473969 625287501 /nfs/dbraw/zinc/28/75/01/625287501.db2.gz XZHKPFOEROIGRP-OAHLLOKOSA-N 0 3 300.402 2.079 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001023483446 625293253 /nfs/dbraw/zinc/29/32/53/625293253.db2.gz STQQHQSMRACCRX-OAHLLOKOSA-N 0 3 324.428 2.336 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnc3cnccc3c2)C1 ZINC001023490290 625294546 /nfs/dbraw/zinc/29/45/46/625294546.db2.gz WNHXWAOQBXQPTQ-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nc3c(s2)CCC3)C1 ZINC001023490528 625295078 /nfs/dbraw/zinc/29/50/78/625295078.db2.gz ACMNYXRBZVJMSM-CYBMUJFWSA-N 0 3 317.458 2.097 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(F)ccc2OC)C1 ZINC001023521992 625307793 /nfs/dbraw/zinc/30/77/93/625307793.db2.gz QCSCYFNYBPECHV-CQSZACIVSA-N 0 3 318.392 2.299 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1csnn1 ZINC001025255442 625310761 /nfs/dbraw/zinc/31/07/61/625310761.db2.gz PQOMOFUBPMALFJ-ZIAGYGMSSA-N 0 3 306.435 2.183 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C#C)nc1 ZINC001025293182 625326917 /nfs/dbraw/zinc/32/69/17/625326917.db2.gz PQSKDDVEAZUXTK-MOPGFXCFSA-N 0 3 321.424 2.155 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001023559877 625326547 /nfs/dbraw/zinc/32/65/47/625326547.db2.gz FXLGNPZVMKDOBW-CYBMUJFWSA-N 0 3 306.356 2.430 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)CCN1Cc1ccc(C#N)cc1 ZINC000947297123 625344958 /nfs/dbraw/zinc/34/49/58/625344958.db2.gz RXOUZHWDUUQSHP-BBRMVZONSA-N 0 3 323.400 2.064 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(OC)c2C)C1 ZINC001023621175 625354789 /nfs/dbraw/zinc/35/47/89/625354789.db2.gz IMVVODROJTWENV-OAHLLOKOSA-N 0 3 300.402 2.079 20 30 DEEDHN C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025344017 625370753 /nfs/dbraw/zinc/37/07/53/625370753.db2.gz HMUIVZRAQGEXEM-CABCVRRESA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025344017 625370756 /nfs/dbraw/zinc/37/07/56/625370756.db2.gz HMUIVZRAQGEXEM-CABCVRRESA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2scnc2C2CC2)C1 ZINC001023636351 625366764 /nfs/dbraw/zinc/36/67/64/625366764.db2.gz MUNZGNSPFAXLIP-GFCCVEGCSA-N 0 3 303.431 2.096 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001023645810 625372339 /nfs/dbraw/zinc/37/23/39/625372339.db2.gz CJPPLFBSXJXJLG-OAHLLOKOSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3ccncc32)C1 ZINC001023680242 625386400 /nfs/dbraw/zinc/38/64/00/625386400.db2.gz VNCGHSYARDTVDY-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ncoc2C2CC2)C1 ZINC001023688165 625389330 /nfs/dbraw/zinc/38/93/30/625389330.db2.gz RHAQIXNVZBWZEQ-ZDUSSCGKSA-N 0 3 301.390 2.017 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001025410751 625413198 /nfs/dbraw/zinc/41/31/98/625413198.db2.gz CAHMJSGVPFEHLI-CABCVRRESA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025421574 625420211 /nfs/dbraw/zinc/42/02/11/625420211.db2.gz CRQXCWZLLPMNDG-DOTOQJQBSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001025420028 625417226 /nfs/dbraw/zinc/41/72/26/625417226.db2.gz RLSCHBXNVFMSIM-HUUCEWRRSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001023772006 625431768 /nfs/dbraw/zinc/43/17/68/625431768.db2.gz XKXWGPHYEHXOIF-CZUORRHYSA-N 0 3 316.832 2.441 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000972676391 625434534 /nfs/dbraw/zinc/43/45/34/625434534.db2.gz LFKUFIKSTGRGCS-SECBINFHSA-N 0 3 319.352 2.494 20 30 DEEDHN CSCC(=O)N1CCC[C@@H](CNCc2ccccc2C#N)C1 ZINC001023827685 625458211 /nfs/dbraw/zinc/45/82/11/625458211.db2.gz YJACPDSMIQXYDC-AWEZNQCLSA-N 0 3 317.458 2.249 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]nc2CCC)C1 ZINC001025466064 625459230 /nfs/dbraw/zinc/45/92/30/625459230.db2.gz ZSXPDKOURCWOLX-LSDHHAIUSA-N 0 3 316.449 2.216 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ncc3ccccn32)C1 ZINC001025482868 625474208 /nfs/dbraw/zinc/47/42/08/625474208.db2.gz RRXRPXWHKNYBLZ-CVEARBPZSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC000972704933 625484509 /nfs/dbraw/zinc/48/45/09/625484509.db2.gz WILNNXXKXYOBMG-ZFWWWQNUSA-N 0 3 304.438 2.495 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3n[nH]cc32)C1 ZINC001025501253 625485675 /nfs/dbraw/zinc/48/56/75/625485675.db2.gz BUSQCOWWKQCIBH-GJZGRUSLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(OC)cs2)C1 ZINC001025507082 625493526 /nfs/dbraw/zinc/49/35/26/625493526.db2.gz RSTUOPHLESLOSZ-QWHCGFSZSA-N 0 3 306.431 2.220 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001025518251 625497254 /nfs/dbraw/zinc/49/72/54/625497254.db2.gz DLMDZMTXCOICNV-ZBFHGGJFSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccn(C)c2C)C1 ZINC001025532457 625511728 /nfs/dbraw/zinc/51/17/28/625511728.db2.gz YIFKMQVRERITAQ-HOCLYGCPSA-N 0 3 301.434 2.187 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC000972739109 625510442 /nfs/dbraw/zinc/51/04/42/625510442.db2.gz AFPVFUFIXZQGDY-YOEHRIQHSA-N 0 3 300.402 2.017 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2nccc3[nH]ccc32)C1 ZINC001025536143 625517618 /nfs/dbraw/zinc/51/76/18/625517618.db2.gz USWSJBIRHBQKOJ-LSDHHAIUSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(CCC)c2)C1 ZINC001025545610 625530829 /nfs/dbraw/zinc/53/08/29/625530829.db2.gz KMQQEIBWFIMUSC-HZPDHXFCSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3c(c2)COC3)C1 ZINC001025551674 625537386 /nfs/dbraw/zinc/53/73/86/625537386.db2.gz JWFWQEJIKIWOQJ-HOCLYGCPSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2scnc2C2CC2)C1 ZINC001025555401 625542963 /nfs/dbraw/zinc/54/29/63/625542963.db2.gz MRCFGMUWIKHDJE-OCCSQVGLSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001025558131 625546668 /nfs/dbraw/zinc/54/66/68/625546668.db2.gz LOLUCPYFXCMBAF-CABCVRRESA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cncc(Cl)c2)C1 ZINC001025559212 625551219 /nfs/dbraw/zinc/55/12/19/625551219.db2.gz RZPWATVCRMDLFC-CHWSQXEVSA-N 0 3 305.809 2.199 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892769483 625568393 /nfs/dbraw/zinc/56/83/93/625568393.db2.gz ZIPKCSXLKQHADP-IFXJQAMLSA-N 0 3 311.429 2.337 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(OC)c2F)C1 ZINC001025576455 625572747 /nfs/dbraw/zinc/57/27/47/625572747.db2.gz KESAJCRFCPJYTQ-KBPBESRZSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC000969130610 622582566 /nfs/dbraw/zinc/58/25/66/622582566.db2.gz NFGSJXOYXULUCJ-SJORKVTESA-N 0 3 313.445 2.343 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CNCc2cnc(C)cn2)C1 ZINC001024092946 625578576 /nfs/dbraw/zinc/57/85/76/625578576.db2.gz LURLIBNRCBKMGY-OAHLLOKOSA-N 0 3 316.449 2.325 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1cccc(C#N)c1 ZINC000893347093 625578843 /nfs/dbraw/zinc/57/88/43/625578843.db2.gz YWIBOJMBZAUNIZ-JQFCIGGWSA-N 0 3 312.417 2.497 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CNCc2nccn2CC)C1 ZINC001024095846 625579685 /nfs/dbraw/zinc/57/96/85/625579685.db2.gz YPOCOKBXWNFKEH-OAHLLOKOSA-N 0 3 318.465 2.443 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000969170856 622602950 /nfs/dbraw/zinc/60/29/50/622602950.db2.gz QKNRVWVVJCXTHH-SJORKVTESA-N 0 3 318.461 2.187 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001020418465 622620964 /nfs/dbraw/zinc/62/09/64/622620964.db2.gz XMGQBDRANXFVHH-KBUPBQIOSA-N 0 3 312.841 2.323 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3conc3CC)C2)cc1 ZINC001020457392 622682310 /nfs/dbraw/zinc/68/23/10/622682310.db2.gz UQYMYCKENYTJEX-QAQDUYKDSA-N 0 3 323.396 2.269 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2coc(CC3CC3)n2)C1 ZINC001025582088 625591022 /nfs/dbraw/zinc/59/10/22/625591022.db2.gz OENPMPNZUGOGKA-UKRRQHHQSA-N 0 3 315.417 2.091 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001025582373 625591508 /nfs/dbraw/zinc/59/15/08/625591508.db2.gz RXVVFFIZYRURLR-IUODEOHRSA-N 0 3 315.417 2.324 20 30 DEEDHN Cc1cccc(CN2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC000969463776 622784638 /nfs/dbraw/zinc/78/46/38/622784638.db2.gz VFBRGVVAIJRRDA-CQSZACIVSA-N 0 3 322.412 2.445 20 30 DEEDHN C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001020549413 622798796 /nfs/dbraw/zinc/79/87/96/622798796.db2.gz VVGWWSBZOAUBSI-DDWPSWQVSA-N 0 3 315.392 2.480 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC000969668106 622875193 /nfs/dbraw/zinc/87/51/93/622875193.db2.gz PFRWSADAPGWYLO-GFCCVEGCSA-N 0 3 315.417 2.009 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3scnc3C)C2)C1 ZINC000969879381 622972251 /nfs/dbraw/zinc/97/22/51/622972251.db2.gz VMRCCFAJSYLFIV-CYBMUJFWSA-N 0 3 305.447 2.498 20 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C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2scnc2Cl)C1 ZINC001025623411 625669324 /nfs/dbraw/zinc/66/93/24/625669324.db2.gz CIPWDKNWPBCLNT-WDEREUQCSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001021530537 623708593 /nfs/dbraw/zinc/70/85/93/623708593.db2.gz WFHFJWXAIIMVCW-WBVHZDCISA-N 0 3 312.413 2.342 20 30 DEEDHN C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001021530537 623708595 /nfs/dbraw/zinc/70/85/95/623708595.db2.gz WFHFJWXAIIMVCW-WBVHZDCISA-N 0 3 312.413 2.342 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)COC2CCCC2)C1 ZINC001021537392 623715270 /nfs/dbraw/zinc/71/52/70/623715270.db2.gz CBWSXSQMQNUAKX-SJLPKXTDSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCOCC2)C1 ZINC001021544593 623727138 /nfs/dbraw/zinc/72/71/38/623727138.db2.gz NLVSCSLVQNEBPT-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC000970868711 623753259 /nfs/dbraw/zinc/75/32/59/623753259.db2.gz 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C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2occc2CC)C1 ZINC001021671744 623931865 /nfs/dbraw/zinc/93/18/65/623931865.db2.gz VJAHRHQXNNCDBU-HZPDHXFCSA-N 0 3 300.402 2.402 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cncc(Cl)c2)C1 ZINC001021690945 623966980 /nfs/dbraw/zinc/96/69/80/623966980.db2.gz LTVXFBRYDZXOOM-BBRMVZONSA-N 0 3 317.820 2.295 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3nc[nH]c32)C1 ZINC001021697761 623978076 /nfs/dbraw/zinc/97/80/76/623978076.db2.gz VINGYOZNHGPTKF-WMLDXEAASA-N 0 3 322.412 2.123 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2nccs2)C1 ZINC001021700026 623981112 /nfs/dbraw/zinc/98/11/12/623981112.db2.gz MOLDJTQFHQWMAO-KGLIPLIRSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001021709511 623992443 /nfs/dbraw/zinc/99/24/43/623992443.db2.gz BVXLHJBQYCLPLD-MAUKXSAKSA-N 0 3 311.429 2.063 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)no2)C1 ZINC001021718669 624003396 /nfs/dbraw/zinc/00/33/96/624003396.db2.gz 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/nfs/dbraw/zinc/19/69/82/624196982.db2.gz XYTKFJBVFOSCBE-UHFFFAOYSA-N 0 3 323.824 2.363 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC000971663039 624496310 /nfs/dbraw/zinc/49/63/10/624496310.db2.gz MVKNNFRSUMUTME-AWEZNQCLSA-N 0 3 302.422 2.113 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001022207639 624499839 /nfs/dbraw/zinc/49/98/39/624499839.db2.gz UEKVCPGYBRCONR-AOOOYVTPSA-N 0 3 322.821 2.294 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001022485227 624687399 /nfs/dbraw/zinc/68/73/99/624687399.db2.gz VSJUBBVPVMRDOJ-TXEJJXNPSA-N 0 3 320.780 2.273 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)c2cccnc2)C[C@@H]1C ZINC000947480169 624694332 /nfs/dbraw/zinc/69/43/32/624694332.db2.gz UPWITSWEDCLUFC-RDJZCZTQSA-N 0 3 313.445 2.352 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001027660483 634404631 /nfs/dbraw/zinc/40/46/31/634404631.db2.gz OKPHSDSVSCIERJ-INIZCTEOSA-N 0 3 309.413 2.266 20 30 DEEDHN CN(Cc1csc(C#N)c1)CC(C)(C)CN1CCOCC1 ZINC000892143022 624795192 /nfs/dbraw/zinc/79/51/92/624795192.db2.gz JHBOMYARDLVSRQ-UHFFFAOYSA-N 0 3 307.463 2.410 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972089953 624830230 /nfs/dbraw/zinc/83/02/30/624830230.db2.gz HAIIMPDENSXTHR-HZPDHXFCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC000972246608 624902306 /nfs/dbraw/zinc/90/23/06/624902306.db2.gz PUQJDJRVERRBPE-RDJZCZTQSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccccc2COC)C1 ZINC001022840900 624946862 /nfs/dbraw/zinc/94/68/62/624946862.db2.gz RECURLCEHWAGRJ-IYBDPMFKSA-N 0 3 322.836 2.365 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001027671114 634423523 /nfs/dbraw/zinc/42/35/23/634423523.db2.gz DPKXADXSCWHSMX-IAGOWNOFSA-N 0 3 314.429 2.318 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(c3cccnc3)CC2)C[C@H]1C ZINC000947639215 625028340 /nfs/dbraw/zinc/02/83/40/625028340.db2.gz NXGFJNSNVHDNHX-WBVHZDCISA-N 0 3 311.429 2.106 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001024780176 625051939 /nfs/dbraw/zinc/05/19/39/625051939.db2.gz NQAHFPRIOMEMII-IRXDYDNUSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001020239343 625052511 /nfs/dbraw/zinc/05/25/11/625052511.db2.gz XJSDRRJGVLVFGB-XYPYZODXSA-N 0 3 324.837 2.307 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001027675162 634431309 /nfs/dbraw/zinc/43/13/09/634431309.db2.gz QGOGFFOMZLEYDR-HOCLYGCPSA-N 0 3 318.392 2.149 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(N3CC=CC3)c2)C1 ZINC000972439604 625083539 /nfs/dbraw/zinc/08/35/39/625083539.db2.gz DVEJIYRFIHZHOJ-SFHVURJKSA-N 0 3 311.429 2.395 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2noc3c2CCCCC3)C1 ZINC000972453087 625091440 /nfs/dbraw/zinc/09/14/40/625091440.db2.gz ILYSMUSXTQLGEC-ZDUSSCGKSA-N 0 3 303.406 2.276 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001024902394 625102047 /nfs/dbraw/zinc/10/20/47/625102047.db2.gz PZRANISNUIUYST-UKRRQHHQSA-N 0 3 303.381 2.456 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892530819 625105939 /nfs/dbraw/zinc/10/59/39/625105939.db2.gz YSEMOQKWPNMBJF-GXTWGEPZSA-N 0 3 304.390 2.103 20 30 DEEDHN COCCN1CCC(NC(=O)c2c(C)cc(C#N)cc2C)CC1 ZINC000893127069 625128331 /nfs/dbraw/zinc/12/83/31/625128331.db2.gz DRZXPBGAFRRINW-UHFFFAOYSA-N 0 3 315.417 2.016 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](NC(=O)C(C)(C)C)C1 ZINC001023006351 625131909 /nfs/dbraw/zinc/13/19/09/625131909.db2.gz MXMNLVHNPFWLKD-GASCZTMLSA-N 0 3 315.417 2.350 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001023099017 625154984 /nfs/dbraw/zinc/15/49/84/625154984.db2.gz KXRRASHVDYFCHD-TXEJJXNPSA-N 0 3 308.813 2.203 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H]2CN(C(=O)C(F)F)C[C@@H]21 ZINC001026165945 625162587 /nfs/dbraw/zinc/16/25/87/625162587.db2.gz RHHWVTRFEYVAAN-SOUVJXGZSA-N 0 3 319.355 2.150 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)C[C@H]1C ZINC000947542030 625163754 /nfs/dbraw/zinc/16/37/54/625163754.db2.gz BPRWZDDMCYWBIY-CHWSQXEVSA-N 0 3 317.458 2.238 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)C[C@@H]1C ZINC000947542032 625164044 /nfs/dbraw/zinc/16/40/44/625164044.db2.gz BPRWZDDMCYWBIY-QWHCGFSZSA-N 0 3 317.458 2.238 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001023151974 625170421 /nfs/dbraw/zinc/17/04/21/625170421.db2.gz OQKBPAHWENBKHC-XJFOESAGSA-N 0 3 300.830 2.181 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccon3)C2)cc1 ZINC001023246381 625196221 /nfs/dbraw/zinc/19/62/21/625196221.db2.gz HENHROKIGCSCGT-MRXNPFEDSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCCCCC(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000180741094 625222634 /nfs/dbraw/zinc/22/26/34/625222634.db2.gz USTJPINJORFTCI-INIZCTEOSA-N 0 3 312.369 2.214 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)on1 ZINC001025196299 625258978 /nfs/dbraw/zinc/25/89/78/625258978.db2.gz SKXRPGOIXXGKDJ-IRXDYDNUSA-N 0 3 315.417 2.465 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001023413871 625259123 /nfs/dbraw/zinc/25/91/23/625259123.db2.gz JBAUZXZUEGUSNL-NSHDSACASA-N 0 3 320.824 2.016 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(CC)n[nH]1 ZINC001025205431 625262084 /nfs/dbraw/zinc/26/20/84/625262084.db2.gz VGAQTRDYQJORQB-DLBZAZTESA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001023434596 625267354 /nfs/dbraw/zinc/26/73/54/625267354.db2.gz MOJSEILZSHMTOR-ZDUSSCGKSA-N 0 3 306.356 2.348 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)n(C)n1 ZINC001025211133 625267756 /nfs/dbraw/zinc/26/77/56/625267756.db2.gz SDWODUMQIWFNKQ-DLBZAZTESA-N 0 3 316.449 2.374 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(OCC=C)cc2)C1 ZINC001023448577 625272047 /nfs/dbraw/zinc/27/20/47/625272047.db2.gz SGEHMRQPDVQMBY-INIZCTEOSA-N 0 3 312.413 2.326 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2ncoc2C(F)(F)F)C1 ZINC001023449699 625273076 /nfs/dbraw/zinc/27/30/76/625273076.db2.gz XLSNUGGHIKUQNT-JTQLQIEISA-N 0 3 317.311 2.321 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ncn3ccc(C)cc23)C1 ZINC001023452321 625274345 /nfs/dbraw/zinc/27/43/45/625274345.db2.gz YDQGJGKWTAHDBT-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001023461311 625279438 /nfs/dbraw/zinc/27/94/38/625279438.db2.gz SKTUHJJYGMIYHM-AWEZNQCLSA-N 0 3 316.449 2.172 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc3cccn3cn2)C1 ZINC000998981906 634454991 /nfs/dbraw/zinc/45/49/91/634454991.db2.gz XKLSAMWEDNJKIY-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(OC)no2)C(C)(C)C1 ZINC000974486346 625759015 /nfs/dbraw/zinc/75/90/15/625759015.db2.gz UWVPTTWVJWAXFT-CYBMUJFWSA-N 0 3 307.394 2.090 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001024438755 625775876 /nfs/dbraw/zinc/77/58/76/625775876.db2.gz WEDRBHSNSQRFNS-CABCVRRESA-N 0 3 316.449 2.376 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnn1CCC ZINC001024461957 625789296 /nfs/dbraw/zinc/78/92/96/625789296.db2.gz KYANBLMDYTWBOE-HNNXBMFYSA-N 0 3 304.438 2.454 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001027696261 634451535 /nfs/dbraw/zinc/45/15/35/634451535.db2.gz MVLHFSKZZINXRJ-OAHLLOKOSA-N 0 3 317.408 2.061 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001024466482 625797496 /nfs/dbraw/zinc/79/74/96/625797496.db2.gz ALBBROJBQKJJQU-OAHLLOKOSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001024477184 625803007 /nfs/dbraw/zinc/80/30/07/625803007.db2.gz KKUJQAJDHOOUJY-LBPRGKRZSA-N 0 3 322.840 2.233 20 30 DEEDHN C=C(C)CNC(=S)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065850237 625864302 /nfs/dbraw/zinc/86/43/02/625864302.db2.gz JFUBRPDFPIBUFT-UHFFFAOYSA-N 0 3 316.474 2.372 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001024580919 625902900 /nfs/dbraw/zinc/90/29/00/625902900.db2.gz AMIRFHMCNDKTGW-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001024620878 625938733 /nfs/dbraw/zinc/93/87/33/625938733.db2.gz DMBPQRQAEYNZQC-IAGOWNOFSA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001024623181 625939647 /nfs/dbraw/zinc/93/96/47/625939647.db2.gz DCCHXGQCKSHWPF-INIZCTEOSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001024679644 625964334 /nfs/dbraw/zinc/96/43/34/625964334.db2.gz YWWLCFXYTRRAJI-CYBMUJFWSA-N 0 3 305.809 2.343 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001024679645 625964951 /nfs/dbraw/zinc/96/49/51/625964951.db2.gz YWWLCFXYTRRAJI-ZDUSSCGKSA-N 0 3 305.809 2.343 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000978998438 634473413 /nfs/dbraw/zinc/47/34/13/634473413.db2.gz YLOIJMSOGGSRFX-ZSOGYDGISA-N 0 3 322.330 2.246 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4[nH]ccc4s3)[C@@H]2C1 ZINC000979019368 634482968 /nfs/dbraw/zinc/48/29/68/634482968.db2.gz OUCDIKWRNYSQHU-XYYAHUGASA-N 0 3 313.426 2.160 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999130748 634495427 /nfs/dbraw/zinc/49/54/27/634495427.db2.gz XZGFYSFEXWNUCQ-INIZCTEOSA-N 0 3 300.377 2.320 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)c4c3CCC4)[C@@H]2C1 ZINC000979112464 634504455 /nfs/dbraw/zinc/50/44/55/634504455.db2.gz PFQGNNFGRJBWCA-OWZKRDHZSA-N 0 3 322.452 2.415 20 30 DEEDHN C=CC(C)(C)CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000888379400 634507160 /nfs/dbraw/zinc/50/71/60/634507160.db2.gz UNSPNTXAJACRBC-UHFFFAOYSA-N 0 3 302.422 2.374 20 30 DEEDHN CCCC(=O)N1CCO[C@H]([C@H](C)NCc2ccc(C#N)s2)C1 ZINC000979184793 634526388 /nfs/dbraw/zinc/52/63/88/634526388.db2.gz PIOYKXRTTSZABC-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cn(CC)nc2C)C1 ZINC000999485998 634609891 /nfs/dbraw/zinc/60/98/91/634609891.db2.gz ITCWXASHALPYQC-UHFFFAOYSA-N 0 3 310.829 2.157 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC000999560403 634628595 /nfs/dbraw/zinc/62/85/95/634628595.db2.gz IIMCTCJKKPNSPY-GWMXKSKGSA-N 0 3 324.856 2.462 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2C1 ZINC000979480880 634654300 /nfs/dbraw/zinc/65/43/00/634654300.db2.gz JBLGFZJNVZDZCZ-USXIJHARSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC000999895073 634694562 /nfs/dbraw/zinc/69/45/62/634694562.db2.gz WAMRKBSFMABLGN-HNNXBMFYSA-N 0 3 302.422 2.078 20 30 DEEDHN CC[C@H](F)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000999911467 634703680 /nfs/dbraw/zinc/70/36/80/634703680.db2.gz TYDIRJYRSXQQAP-RISCZKNCSA-N 0 3 309.410 2.448 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001000061414 634742494 /nfs/dbraw/zinc/74/24/94/634742494.db2.gz HDULJMKOTZYOEY-UHFFFAOYSA-N 0 3 300.377 2.433 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)C3CC(F)(F)C3)CC2)CC1 ZINC001000120917 634754930 /nfs/dbraw/zinc/75/49/30/634754930.db2.gz SUCXKQUYEVGCTH-UHFFFAOYSA-N 0 3 310.388 2.416 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccncc3C)CC2)CC1 ZINC001000146734 634768430 /nfs/dbraw/zinc/76/84/30/634768430.db2.gz UOYLUUIFZFVDRC-UHFFFAOYSA-N 0 3 311.429 2.388 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CC[C@H](OC)C3)CC2)CC1 ZINC001000191182 634783277 /nfs/dbraw/zinc/78/32/77/634783277.db2.gz JWQSOBLQTWYUPQ-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]3OC)CC2)CC1 ZINC001000198450 634785296 /nfs/dbraw/zinc/78/52/96/634785296.db2.gz AAKVITYVSNLWHB-SJORKVTESA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc4ncccc4o3)CC2)CC1 ZINC001000214521 634795981 /nfs/dbraw/zinc/79/59/81/634795981.db2.gz NRWRMLKEVLBRJL-UHFFFAOYSA-N 0 3 323.396 2.435 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cccc4c[nH]nc43)CC2)CC1 ZINC001000230738 634806296 /nfs/dbraw/zinc/80/62/96/634806296.db2.gz SAURLZGBHWSLEE-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc(Cl)[nH]3)CC2)CC1 ZINC001000251425 634825850 /nfs/dbraw/zinc/82/58/50/634825850.db2.gz AZZJNJMUJDCKEL-UHFFFAOYSA-N 0 3 305.809 2.276 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000836339855 650081082 /nfs/dbraw/zinc/08/10/82/650081082.db2.gz SPVXASNJDGNJNC-HOTGVXAUSA-N 0 3 301.434 2.433 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000836442920 650092099 /nfs/dbraw/zinc/09/20/99/650092099.db2.gz ZPQMTQRKPWKQCE-QAQDUYKDSA-N 0 3 313.445 2.495 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2c(Cl)cccc2C1 ZINC000836488184 650097076 /nfs/dbraw/zinc/09/70/76/650097076.db2.gz IEKQMIPRCWPIFN-UHFFFAOYSA-N 0 3 319.836 2.363 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)C(C)(C)C1 ZINC000974637720 633198454 /nfs/dbraw/zinc/19/84/54/633198454.db2.gz BXXBMORKGJNNSJ-OAHLLOKOSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNCc2nccn2C)C1 ZINC001026864404 633227267 /nfs/dbraw/zinc/22/72/67/633227267.db2.gz GIZUVOMALBOFQR-CYBMUJFWSA-N 0 3 324.856 2.137 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)cc1 ZINC000996387188 633252295 /nfs/dbraw/zinc/25/22/95/633252295.db2.gz WADVUPUQQCPEGR-MRXNPFEDSA-N 0 3 318.392 2.108 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnc(CCC)c2)C(C)(C)C1 ZINC000974709545 633253877 /nfs/dbraw/zinc/25/38/77/633253877.db2.gz IAOPQWHCFGDJIB-KRWDZBQOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001015959599 633271820 /nfs/dbraw/zinc/27/18/20/633271820.db2.gz IYSSQGVQEOZTDT-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CNCc3cc(C)no3)C2)cc1 ZINC001026984462 633328532 /nfs/dbraw/zinc/32/85/32/633328532.db2.gz RGYXOGCKGGFQCG-MRXNPFEDSA-N 0 3 323.396 2.216 20 30 DEEDHN C#CCOc1ccccc1CNCc1cc2c(cc1O)OCO2 ZINC000734158980 633340914 /nfs/dbraw/zinc/34/09/14/633340914.db2.gz BDPWVUGGRLTUEY-UHFFFAOYSA-N 0 3 311.337 2.423 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3nccn3CC)C2)C1 ZINC001027051000 633377855 /nfs/dbraw/zinc/37/78/55/633377855.db2.gz OSAOVXHOROLPIC-HNNXBMFYSA-N 0 3 316.449 2.197 20 30 DEEDHN Cc1cccc(O[C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000124479490 633386391 /nfs/dbraw/zinc/38/63/91/633386391.db2.gz HRAMMXWQCTVZSA-ZFWWWQNUSA-N 0 3 300.358 2.094 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cn(C)nc2Cl)C(C)(C)C1 ZINC000975043353 633395100 /nfs/dbraw/zinc/39/51/00/633395100.db2.gz VHHLFUBKHMKPDH-ZDUSSCGKSA-N 0 3 324.856 2.019 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cnccc3n2)C(C)(C)C1 ZINC000975092754 633423987 /nfs/dbraw/zinc/42/39/87/633423987.db2.gz NSTVQBFMHHMHNP-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000124987893 633469125 /nfs/dbraw/zinc/46/91/25/633469125.db2.gz JJGQXQYOBTWYLI-HIFRSBDPSA-N 0 3 302.374 2.042 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC(NCc3cc(C)no3)CC2)cc1 ZINC000996866393 633477727 /nfs/dbraw/zinc/47/77/27/633477727.db2.gz CISLVGSARPUDLX-UHFFFAOYSA-N 0 3 323.396 2.359 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000996876478 633485148 /nfs/dbraw/zinc/48/51/48/633485148.db2.gz MMLXDSFQFVDOEF-UHFFFAOYSA-N 0 3 316.449 2.122 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(CC)ccn2)CC1 ZINC000997111391 633588172 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CC#CCN1CCC[C@@H](N(CC)C(=O)c2nc(C)c[nH]2)CC1 ZINC000998142045 634153989 /nfs/dbraw/zinc/15/39/89/634153989.db2.gz SIIQSBXELMANTD-OAHLLOKOSA-N 0 3 302.422 2.058 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnc(C)nc2C)CC1 ZINC000998155533 634155660 /nfs/dbraw/zinc/15/56/60/634155660.db2.gz NOZDBDZBDXAWFF-MRXNPFEDSA-N 0 3 314.433 2.043 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc3nccn3c2)CC1 ZINC000998174149 634160360 /nfs/dbraw/zinc/16/03/60/634160360.db2.gz NOGREUNUCDDADF-QGZVFWFLSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(C#C)nc2)CC1 ZINC000998176814 634161684 /nfs/dbraw/zinc/16/16/84/634161684.db2.gz OMBFJQCNFIMJDI-GOSISDBHSA-N 0 3 309.413 2.013 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)C(F)F)C2)cc1F ZINC000998328460 634216481 /nfs/dbraw/zinc/21/64/81/634216481.db2.gz NMXDXJZREMQYOO-LBPRGKRZSA-N 0 3 311.307 2.043 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCCN(C(=O)C3CC3)C2)ccc1F ZINC000998346952 634225802 /nfs/dbraw/zinc/22/58/02/634225802.db2.gz AFSXQDJTLMFSQM-HNNXBMFYSA-N 0 3 301.365 2.188 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3sccc3Cl)[C@@H]2C1 ZINC000978176399 634230270 /nfs/dbraw/zinc/23/02/70/634230270.db2.gz CGFPPBILTTZTFJ-CNDDSTCGSA-N 0 3 308.834 2.332 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001027605452 634269095 /nfs/dbraw/zinc/26/90/95/634269095.db2.gz XXBOAEJFSVQDRB-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC=CCCC3)[C@@H]2C1 ZINC000978332071 634283802 /nfs/dbraw/zinc/28/38/02/634283802.db2.gz GTAKNERIRRJITM-TVFCKZIOSA-N 0 3 300.446 2.440 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001027632050 634347015 /nfs/dbraw/zinc/34/70/15/634347015.db2.gz HEKUFCZJRDNPAA-ROUUACIJSA-N 0 3 313.445 2.377 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001027638528 634365764 /nfs/dbraw/zinc/36/57/64/634365764.db2.gz VNVXZHLBHVTLMT-JKSUJKDBSA-N 0 3 324.428 2.153 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccnnc3)C[C@@H]2C1 ZINC000980181454 634877140 /nfs/dbraw/zinc/87/71/40/634877140.db2.gz HHFXSUJWZRTSGY-ZNMIVQPWSA-N 0 3 320.824 2.059 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC000980293582 634934729 /nfs/dbraw/zinc/93/47/29/634934729.db2.gz FLJMLJDYRPBQII-CQSZACIVSA-N 0 3 308.809 2.438 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000837060322 650161109 /nfs/dbraw/zinc/16/11/09/650161109.db2.gz ATZIDFIWWSHCLK-OAHLLOKOSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC000980413247 634994225 /nfs/dbraw/zinc/99/42/25/634994225.db2.gz SQNNGTVTBPCKML-CVEARBPZSA-N 0 3 304.438 2.170 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC001027930520 634997201 /nfs/dbraw/zinc/99/72/01/634997201.db2.gz QPKDVLXCZDPBTO-OAHLLOKOSA-N 0 3 317.408 2.109 20 30 DEEDHN C[C@@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)c1cocn1 ZINC000980436115 635004461 /nfs/dbraw/zinc/00/44/61/635004461.db2.gz RDINZUVIRFZMJX-KGLIPLIRSA-N 0 3 324.384 2.187 20 30 DEEDHN Cc1cnc(CNC[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)s1 ZINC000980573689 635047743 /nfs/dbraw/zinc/04/77/43/635047743.db2.gz CSABJGBZGQVHKK-SWLSCSKDSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC000980574624 635048768 /nfs/dbraw/zinc/04/87/68/635048768.db2.gz VYORTJJGRDUZAT-HZPDHXFCSA-N 0 3 300.402 2.017 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3coc(CCC)n3)CC2)CC1 ZINC001000318964 635145658 /nfs/dbraw/zinc/14/56/58/635145658.db2.gz VIBKBZWHAHOZTH-UHFFFAOYSA-N 0 3 315.417 2.235 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H](NC(=O)C(F)F)C1 ZINC000980841104 635181272 /nfs/dbraw/zinc/18/12/72/635181272.db2.gz HZFPHKJWPHIEHL-KGLIPLIRSA-N 0 3 307.344 2.340 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(Cl)n[nH]c2C2CC2)CC1 ZINC001000767807 635290170 /nfs/dbraw/zinc/29/01/70/635290170.db2.gz SHOAMAZXUIZOCG-UHFFFAOYSA-N 0 3 320.824 2.488 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)CC1 ZINC001000877446 635343274 /nfs/dbraw/zinc/34/32/74/635343274.db2.gz 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/nfs/dbraw/zinc/46/15/53/635461553.db2.gz ZCGHSBGWOYIDDM-UHFFFAOYSA-N 0 3 301.390 2.175 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2Cc3cccc(F)c3O2)CC1 ZINC001001467863 635503474 /nfs/dbraw/zinc/50/34/74/635503474.db2.gz SDKJXINYAGPILP-MRXNPFEDSA-N 0 3 316.376 2.064 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2conc2C(C)C)CC1 ZINC001001473065 635504000 /nfs/dbraw/zinc/50/40/00/635504000.db2.gz HNWQBWJVIFEITP-UHFFFAOYSA-N 0 3 303.406 2.263 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC001001495937 635510590 /nfs/dbraw/zinc/51/05/90/635510590.db2.gz AQYMSFPWYAFGMZ-KSSFIOAISA-N 0 3 312.413 2.485 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C)n([C@H](C)CC)n2)CC1 ZINC001001564682 635527794 /nfs/dbraw/zinc/52/77/94/635527794.db2.gz KJOBCMZNFLHMBL-CQSZACIVSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccnc2C2CC2)CC1 ZINC001001592122 635529969 /nfs/dbraw/zinc/52/99/69/635529969.db2.gz VDCXEPSQSYIEMD-UHFFFAOYSA-N 0 3 311.429 2.424 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccn3ccccc23)CC1 ZINC001001621412 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ZINC001001940858 635584376 /nfs/dbraw/zinc/58/43/76/635584376.db2.gz LOOZZMKZUGEFQC-AWEZNQCLSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3c(s2)CCC3)CC1 ZINC001002102247 635619605 /nfs/dbraw/zinc/61/96/05/635619605.db2.gz LOLOMIXCIUPNIU-UHFFFAOYSA-N 0 3 302.443 2.312 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C3(c4ccccn4)CC3)C2)C1 ZINC000981768770 635642263 /nfs/dbraw/zinc/64/22/63/635642263.db2.gz RVRDXFNCSHVWJI-UHFFFAOYSA-N 0 3 311.429 2.224 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000981865754 635698334 /nfs/dbraw/zinc/69/83/34/635698334.db2.gz IHBLDLPPIFYDDM-UHFFFAOYSA-N 0 3 304.821 2.440 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000981877776 635711377 /nfs/dbraw/zinc/71/13/77/635711377.db2.gz IMZVPIHTGGQJRE-KRWDZBQOSA-N 0 3 312.413 2.101 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@]34CCO[C@H]3CCCC4)C2)C1 ZINC000981886969 635717163 /nfs/dbraw/zinc/71/71/63/635717163.db2.gz KKSHZJZZURGLLP-LPHOPBHVSA-N 0 3 318.461 2.446 20 30 DEEDHN N#Cc1cc(CNC[C@H](Cc2ccc(F)cc2)C(N)=O)cs1 ZINC000921949141 635752681 /nfs/dbraw/zinc/75/26/81/635752681.db2.gz WCKBHQFINSLVLE-ZDUSSCGKSA-N 0 3 317.389 2.193 20 30 DEEDHN N#Cc1cc(CNC[C@@H](Cc2ccc(F)cc2)C(N)=O)cs1 ZINC000921949139 635752870 /nfs/dbraw/zinc/75/28/70/635752870.db2.gz WCKBHQFINSLVLE-CYBMUJFWSA-N 0 3 317.389 2.193 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001028165184 635762000 /nfs/dbraw/zinc/76/20/00/635762000.db2.gz QRCJFDWGRPLQKB-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001028172574 635768521 /nfs/dbraw/zinc/76/85/21/635768521.db2.gz ZRWRKTOJENRKTI-DOTOQJQBSA-N 0 3 318.392 2.286 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001028171214 635769120 /nfs/dbraw/zinc/76/91/20/635769120.db2.gz CUOKZMFKTVQXAU-MRXNPFEDSA-N 0 3 322.412 2.294 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2ccccc2-n2cccn2)CC1 ZINC000982031609 635830075 /nfs/dbraw/zinc/83/00/75/635830075.db2.gz PYPNDVUURPIQEN-UHFFFAOYSA-N 0 3 322.412 2.044 20 30 DEEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000837560189 650219676 /nfs/dbraw/zinc/21/96/76/650219676.db2.gz UXECGXBVZKGNQT-HNNXBMFYSA-N 0 3 317.458 2.145 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)c2cc(CCC)[nH]c(=O)c2)CC1 ZINC000982120555 635878113 /nfs/dbraw/zinc/87/81/13/635878113.db2.gz OYOCLSZYYRZTMF-UHFFFAOYSA-N 0 3 317.433 2.464 20 30 DEEDHN N#Cc1cc(CNCCn2cc(Br)cn2)cs1 ZINC000922124133 635882030 /nfs/dbraw/zinc/88/20/30/635882030.db2.gz OMSCXJUFXHBYJP-UHFFFAOYSA-N 0 3 311.208 2.369 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)COC3CCCC3)C[C@]2(C)C1 ZINC000982223691 635912822 /nfs/dbraw/zinc/91/28/22/635912822.db2.gz YJGNXEHGKGQNOK-KDURUIRLSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)SC)C[C@]2(C)C1 ZINC000982258583 635927289 /nfs/dbraw/zinc/92/72/89/635927289.db2.gz KKWVBCIYDQSXTG-OIISXLGYSA-N 0 3 308.491 2.322 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001028237678 635940968 /nfs/dbraw/zinc/94/09/68/635940968.db2.gz 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636130316 /nfs/dbraw/zinc/13/03/16/636130316.db2.gz DBJHCFMBXMTIIX-GDBMZVCRSA-N 0 3 318.392 2.286 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001028358808 636148664 /nfs/dbraw/zinc/14/86/64/636148664.db2.gz FWTQGXXIEZGAEB-IRXDYDNUSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001028358809 636148720 /nfs/dbraw/zinc/14/87/20/636148720.db2.gz FWTQGXXIEZGAEB-SJORKVTESA-N 0 3 314.429 2.455 20 30 DEEDHN Cc1ocnc1C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028430656 636191357 /nfs/dbraw/zinc/19/13/57/636191357.db2.gz IUMRPLFFIYDALM-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN C=C(Cl)CN1CCC(NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001004201931 636220582 /nfs/dbraw/zinc/22/05/82/636220582.db2.gz SXKVJIUCRRRNQJ-OAHLLOKOSA-N 0 3 313.873 2.194 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)Cc3occc3C)C[C@]2(C)C1 ZINC000982534898 636243026 /nfs/dbraw/zinc/24/30/26/636243026.db2.gz NVOHBVMVOLWBJV-KDURUIRLSA-N 0 3 314.429 2.324 20 30 DEEDHN CC[C@H](CNC(=O)NCCC#N)N1CCc2ccccc2C1 ZINC000426423224 636288734 /nfs/dbraw/zinc/28/87/34/636288734.db2.gz ABWCNGRASBNPCW-MRXNPFEDSA-N 0 3 300.406 2.036 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3ccccc3nc2C)C1 ZINC001028577106 636362213 /nfs/dbraw/zinc/36/22/13/636362213.db2.gz MDAJUCQJBTVPSG-OAHLLOKOSA-N 0 3 307.397 2.228 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CC34CCCC4)C[C@]2(C)C1 ZINC000982702227 636371838 /nfs/dbraw/zinc/37/18/38/636371838.db2.gz HEFYMLBRLBXICP-RYQLBKOJSA-N 0 3 300.446 2.370 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC001004357043 636379889 /nfs/dbraw/zinc/37/98/89/636379889.db2.gz JZUGVZKDJOIRCN-UKRRQHHQSA-N 0 3 314.857 2.477 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001028593208 636453918 /nfs/dbraw/zinc/45/39/18/636453918.db2.gz HXQKXNINQXZEQJ-GJZGRUSLSA-N 0 3 307.413 2.474 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001028614466 636504518 /nfs/dbraw/zinc/50/45/18/636504518.db2.gz 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/nfs/dbraw/zinc/83/97/18/636839718.db2.gz USFNIYPMQGGNNC-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc3cccnc3s2)C1 ZINC001028908824 636841777 /nfs/dbraw/zinc/84/17/77/636841777.db2.gz ZNOYWUWMROLCJT-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN Cc1conc1C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028914992 636848136 /nfs/dbraw/zinc/84/81/36/636848136.db2.gz HIPMZEOSGUEBSF-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2c[nH]c3cnccc23)CC1 ZINC001005882392 636933754 /nfs/dbraw/zinc/93/37/54/636933754.db2.gz MIFGVUYIEDLVNU-UHFFFAOYSA-N 0 3 312.417 2.214 20 30 DEEDHN C#CCN(C(=O)NCCC[C@H]1C=CCC1)C1CCN(C)CC1 ZINC000923974797 636940609 /nfs/dbraw/zinc/94/06/09/636940609.db2.gz VXVZMSMCVHAUPG-INIZCTEOSA-N 0 3 303.450 2.472 20 30 DEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923305250 637103193 /nfs/dbraw/zinc/10/31/93/637103193.db2.gz WHQQIQKZZKUEOA-BMFZPTHFSA-N 0 3 313.401 2.021 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnc(C3CC3)nc2)CC1 ZINC001006090194 637191217 /nfs/dbraw/zinc/19/12/17/637191217.db2.gz COOSBIHJCDMEMA-UHFFFAOYSA-N 0 3 300.406 2.076 20 30 DEEDHN CC#CCN1CCC(N(C)C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC001006127709 637230933 /nfs/dbraw/zinc/23/09/33/637230933.db2.gz NJRRPPNAIIQOTB-UHFFFAOYSA-N 0 3 324.428 2.431 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 ZINC001006237083 637291650 /nfs/dbraw/zinc/29/16/50/637291650.db2.gz ZGBFEXMDTUFEOE-ZDUSSCGKSA-N 0 3 316.449 2.257 20 30 DEEDHN CC#CCN1CCC(N(C)C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC001006273315 637310454 /nfs/dbraw/zinc/31/04/54/637310454.db2.gz BOLSVCWEYAFBOE-UHFFFAOYSA-N 0 3 316.449 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC[C@H]1CCC(F)(F)C1 ZINC000895056720 637438249 /nfs/dbraw/zinc/43/82/49/637438249.db2.gz QEXLIJBBBKLEDK-CYBMUJFWSA-N 0 3 301.381 2.066 20 30 DEEDHN CC(C)N1C[C@H](NCc2ccc(O[C@H](C)C#N)cc2)CC1=O ZINC000738438949 637447048 /nfs/dbraw/zinc/44/70/48/637447048.db2.gz GVACGXQOCYANSI-UKRRQHHQSA-N 0 3 301.390 2.076 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001029311793 637591693 /nfs/dbraw/zinc/59/16/93/637591693.db2.gz DRWPXEUWWHRHSW-UUAJXVIYSA-N 0 3 324.440 2.391 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC2CC1CN2C(=O)C1CCC1(C)C ZINC000937546085 637743305 /nfs/dbraw/zinc/74/33/05/637743305.db2.gz ZIYQMAWACORVSM-MELADBBJSA-N 0 3 304.434 2.447 20 30 DEEDHN C#CC[C@@H](N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1)C(=O)OC ZINC000839168564 637807319 /nfs/dbraw/zinc/80/73/19/637807319.db2.gz KVFZZUGZVIPCBT-DLBZAZTESA-N 0 3 314.429 2.194 20 30 DEEDHN COC(=O)[C@H]1[C@@H](CNC(C)(C)c2cccc(C#N)c2)C1(F)F ZINC000895235422 637826029 /nfs/dbraw/zinc/82/60/29/637826029.db2.gz ICAUQEHYUOHLNJ-CHWSQXEVSA-N 0 3 308.328 2.437 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000741465589 637984924 /nfs/dbraw/zinc/98/49/24/637984924.db2.gz WKLNFIYQUZIRTL-WENWWWKYSA-N 0 3 316.405 2.124 20 30 DEEDHN C#CC1(O)CCN(Cc2cccc(OCCCOC)c2)CC1 ZINC000895383512 637986695 /nfs/dbraw/zinc/98/66/95/637986695.db2.gz 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/nfs/dbraw/zinc/34/57/89/638345789.db2.gz QBMBJVOKPKOFLE-YESZJQIVSA-N 0 3 318.461 2.445 20 30 DEEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc(C#N)c[nH]1 ZINC000748525425 638567537 /nfs/dbraw/zinc/56/75/37/638567537.db2.gz QRYYLHUMSBTSLU-UHFFFAOYSA-N 0 3 310.401 2.133 20 30 DEEDHN N#CCOc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000748831928 638597772 /nfs/dbraw/zinc/59/77/72/638597772.db2.gz AQXFGFWYGOURGF-GOSISDBHSA-N 0 3 316.401 2.359 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](CN[C@H](C)c3cnccn3)C2)C1 ZINC000984776878 638671303 /nfs/dbraw/zinc/67/13/03/638671303.db2.gz ZGEMKDAAZUVCEK-RBSFLKMASA-N 0 3 314.433 2.378 20 30 DEEDHN N#Cc1cc2ccccc2nc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000750030717 638704869 /nfs/dbraw/zinc/70/48/69/638704869.db2.gz XCZZTYSQYPZCFE-HNNXBMFYSA-N 0 3 322.412 2.265 20 30 DEEDHN C#CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC000928629132 638727936 /nfs/dbraw/zinc/72/79/36/638727936.db2.gz KOENBBBHBNCSAQ-UHFFFAOYSA-N 0 3 313.445 2.312 20 30 DEEDHN CC(C)[C@H](C#N)OC(=O)C1CCN(c2ccc(F)cc2)C1=O 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COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C)cn1 ZINC000753533882 639309494 /nfs/dbraw/zinc/30/94/94/639309494.db2.gz POZIOYYSDIFRLK-LBPRGKRZSA-N 0 3 309.325 2.360 20 30 DEEDHN C#CCOc1ccc([C@@H](C)NC[C@H]2CCCCS2(=O)=O)cc1 ZINC000753732083 639335562 /nfs/dbraw/zinc/33/55/62/639335562.db2.gz POWYQKKRNDWISH-RHSMWYFYSA-N 0 3 321.442 2.317 20 30 DEEDHN CC(C)[C@H](C#N)N1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000753746006 639337020 /nfs/dbraw/zinc/33/70/20/639337020.db2.gz JTCWQJDHIJYXRG-KRWDZBQOSA-N 0 3 321.465 2.085 20 30 DEEDHN N#Cc1csc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000754079612 639382523 /nfs/dbraw/zinc/38/25/23/639382523.db2.gz JNHCDBAAIHTQNP-GDBMZVCRSA-N 0 3 302.399 2.194 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](CN(C)Cc2ccnc(Cl)c2)C1 ZINC001029677218 639413863 /nfs/dbraw/zinc/41/38/63/639413863.db2.gz KJJXSCNSBIUHCS-TZMCWYRMSA-N 0 3 320.824 2.175 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029679329 639414888 /nfs/dbraw/zinc/41/48/88/639414888.db2.gz 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/nfs/dbraw/zinc/06/44/71/640064471.db2.gz CFFNNBLFRPXVQO-GWCFXTLKSA-N 0 3 306.749 2.118 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\CCN2CCOC[C@H]2C)c([O-])c1 ZINC000729149670 640067519 /nfs/dbraw/zinc/06/75/19/640067519.db2.gz NGGZGLVXCRDBFV-JPVKTXQWSA-N 0 3 319.449 2.378 20 30 DEEDHN COc1cccc(CO[C@@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760337803 640181196 /nfs/dbraw/zinc/18/11/96/640181196.db2.gz BWAZWWATJJOZAV-SWLSCSKDSA-N 0 3 311.341 2.267 20 30 DEEDHN N#CCc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000761092241 640267833 /nfs/dbraw/zinc/26/78/33/640267833.db2.gz GJUTZSTYEXUAJV-INIZCTEOSA-N 0 3 309.369 2.063 20 30 DEEDHN Cc1cccc(CN2CCN(c3cccc(C#N)n3)CC2)c1O ZINC000761227875 640287433 /nfs/dbraw/zinc/28/74/33/640287433.db2.gz CVMXXXKUUFFOTB-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)c1ccc[nH]1 ZINC000988038097 640334167 /nfs/dbraw/zinc/33/41/67/640334167.db2.gz POFNGAFGKPHNBU-VXGBXAGGSA-N 0 3 314.414 2.341 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762925111 640484872 /nfs/dbraw/zinc/48/48/72/640484872.db2.gz CJIWXCQAYGUECR-CABCVRRESA-N 0 3 310.438 2.261 20 30 DEEDHN COCCNC(=O)C(C#N)C(=O)CCC(C)(C)c1ccccc1 ZINC000179222342 640602974 /nfs/dbraw/zinc/60/29/74/640602974.db2.gz KIYJOIPVABXRPK-OAHLLOKOSA-N 0 3 316.401 2.216 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)cc3ccncc32)C1 ZINC000988857703 640680363 /nfs/dbraw/zinc/68/03/63/640680363.db2.gz XVMQUVXRHCOQGM-DOMZBBRYSA-N 0 3 311.360 2.200 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2snc(Cl)c2Cl)C1 ZINC000988886317 640683703 /nfs/dbraw/zinc/68/37/03/640683703.db2.gz QSRZFIFYHXJNNJ-YUMQZZPRSA-N 0 3 318.229 2.276 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3nccc(C)c3c2)C1 ZINC000988891214 640684350 /nfs/dbraw/zinc/68/43/50/640684350.db2.gz MRMCZOHEUGKLPE-HOCLYGCPSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)nn2C(CC)CC)C1 ZINC000989067741 640715811 /nfs/dbraw/zinc/71/58/11/640715811.db2.gz 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/nfs/dbraw/zinc/11/79/80/641117980.db2.gz VYXKFXWOYUSQSZ-YPMHNXCESA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2oc(CC(C)C)nc2C)C1 ZINC000989542163 641139716 /nfs/dbraw/zinc/13/97/16/641139716.db2.gz DTQXOQUJQLLWKB-GXTWGEPZSA-N 0 3 303.406 2.007 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c3ncccc3c2)C1 ZINC000989565147 641146374 /nfs/dbraw/zinc/14/63/74/641146374.db2.gz BWHREWPPYCWMNL-IUODEOHRSA-N 0 3 311.360 2.200 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2Cl)C1 ZINC000989568802 641148357 /nfs/dbraw/zinc/14/83/57/641148357.db2.gz NVTOMNMOOJEHFQ-RYUDHWBXSA-N 0 3 306.793 2.174 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC000989560501 641149845 /nfs/dbraw/zinc/14/98/45/641149845.db2.gz XCDRZGVMIZXJEJ-CHWSQXEVSA-N 0 3 319.474 2.195 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cccc(NC(C)=O)c2)CC1 ZINC000989644223 641178346 /nfs/dbraw/zinc/17/83/46/641178346.db2.gz VTMFTHFTXCQNJJ-UHFFFAOYSA-N 0 3 315.417 2.369 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000989743407 641217343 /nfs/dbraw/zinc/21/73/43/641217343.db2.gz PKMHFDMIPOUYMQ-GOSISDBHSA-N 0 3 315.461 2.400 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)COc2ccccc2C(C)C)C1 ZINC000989764121 641220304 /nfs/dbraw/zinc/22/03/04/641220304.db2.gz XKMXUUMQHCXKGB-CVEARBPZSA-N 0 3 314.429 2.401 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3c2OCC3(C)C)C1 ZINC000989866405 641257132 /nfs/dbraw/zinc/25/71/32/641257132.db2.gz DKUKDOOKOLYDIT-KGLIPLIRSA-N 0 3 312.413 2.182 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cnc(C)cn3)CCC[C@H]12 ZINC000989926009 641296513 /nfs/dbraw/zinc/29/65/13/641296513.db2.gz UDZFDACECNQJLB-RDJZCZTQSA-N 0 3 300.406 2.088 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cnc(C)cn3)CCC[C@@H]12 ZINC000989926008 641296525 /nfs/dbraw/zinc/29/65/25/641296525.db2.gz UDZFDACECNQJLB-NVXWUHKLSA-N 0 3 300.406 2.088 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3c(C)noc3C)CCC[C@H]12 ZINC000989944773 641300569 /nfs/dbraw/zinc/30/05/69/641300569.db2.gz FVHBDKZTXFCBTH-YOEHRIQHSA-N 0 3 301.390 2.042 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cn1 ZINC000770046692 641325495 /nfs/dbraw/zinc/32/54/95/641325495.db2.gz IHLNKSKUHVZTMI-RDTXWAMCSA-N 0 3 307.397 2.484 20 30 DEEDHN CN(C)c1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000842153536 650660590 /nfs/dbraw/zinc/66/05/90/650660590.db2.gz OLCNDXASXUMGCD-QGZVFWFLSA-N 0 3 310.401 2.185 20 30 DEEDHN C=C(CC)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000773598754 641803642 /nfs/dbraw/zinc/80/36/42/641803642.db2.gz OHUHGDJWMPDIBE-UHFFFAOYSA-N 0 3 323.462 2.146 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC)c1 ZINC000842289101 650694891 /nfs/dbraw/zinc/69/48/91/650694891.db2.gz OMCDSOYZSRALDW-CABCVRRESA-N 0 3 318.373 2.404 20 30 DEEDHN CC[C@H](NCCC(=O)N(C)CCC#N)c1ccccc1OC ZINC000775077823 642004709 /nfs/dbraw/zinc/00/47/09/642004709.db2.gz NGGKOXJONIZFSR-HNNXBMFYSA-N 0 3 303.406 2.498 20 30 DEEDHN C#C[C@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@H]1CCCO1 ZINC000775571478 642060523 /nfs/dbraw/zinc/06/05/23/642060523.db2.gz HOPIWNSNFYDZCV-ZYSHUDEJSA-N 0 3 314.429 2.355 20 30 DEEDHN C#C[C@H](N[C@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCCO1 ZINC000775571476 642060652 /nfs/dbraw/zinc/06/06/52/642060652.db2.gz HOPIWNSNFYDZCV-MNEFBYGVSA-N 0 3 314.429 2.355 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccnc1Cl)[C@H]1CCCO1 ZINC000775572702 642061166 /nfs/dbraw/zinc/06/11/66/642061166.db2.gz TZYCXGGSPKNWDB-MBNYWOFBSA-N 0 3 321.808 2.223 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000775573542 642061443 /nfs/dbraw/zinc/06/14/43/642061443.db2.gz HRICJKXRWUPXRU-COXVUDFISA-N 0 3 316.401 2.183 20 30 DEEDHN Cc1nc2ccccc2c(=O)n1N=Cc1cnccc1N(C)C ZINC000776182698 642140705 /nfs/dbraw/zinc/14/07/05/642140705.db2.gz DAQXHOIYQQMCKL-UHFFFAOYSA-N 0 3 307.357 2.048 20 30 DEEDHN O=C(NCCNCc1cc(F)cc(Cl)c1)C1N=CC=CC1=O ZINC000776799115 642209772 /nfs/dbraw/zinc/20/97/72/642209772.db2.gz GCXAMIRXHMNGAG-CCEZHUSRSA-N 0 3 323.755 2.095 20 30 DEEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCN(CCOC)C1 ZINC000778167786 642346680 /nfs/dbraw/zinc/34/66/80/642346680.db2.gz ROHKRESQUJFOOI-CQSZACIVSA-N 0 3 322.836 2.162 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccnc(OC(C)C)c2)CC1 ZINC000778224443 642355396 /nfs/dbraw/zinc/35/53/96/642355396.db2.gz MLSJSIBVTLIUDI-UHFFFAOYSA-N 0 3 301.390 2.153 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000778293694 642367725 /nfs/dbraw/zinc/36/77/25/642367725.db2.gz GZPSULFAZFMWTE-KGLIPLIRSA-N 0 3 311.316 2.310 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000900521283 642396244 /nfs/dbraw/zinc/39/62/44/642396244.db2.gz YPKJKNMXPKJLNM-KBOKABMXSA-N 0 3 312.413 2.431 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000900530991 642401842 /nfs/dbraw/zinc/40/18/42/642401842.db2.gz UYWWVFPYAMIOTC-SNGWPZLWSA-N 0 3 300.402 2.287 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900836443 642497005 /nfs/dbraw/zinc/49/70/05/642497005.db2.gz UEOLPBJHJJAVBN-HXUWFJFHSA-N 0 3 324.424 2.419 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(Cl)cnn3CC)CCC[C@@H]12 ZINC000990869605 642558371 /nfs/dbraw/zinc/55/83/71/642558371.db2.gz INSWHRIBXYLPHF-CJNGLKHVSA-N 0 3 322.840 2.469 20 30 DEEDHN N#CC(C(=O)[C@@H]1CCc2ncncc2C1)c1nc2ccccc2[nH]1 ZINC000842676809 650802136 /nfs/dbraw/zinc/80/21/36/650802136.db2.gz MPJQYAMKYMYCCL-YPMHNXCESA-N 0 3 317.352 2.334 20 30 DEEDHN C#CCOCCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000784190957 643107145 /nfs/dbraw/zinc/10/71/45/643107145.db2.gz VHOLKSGKPGBSQA-HNNXBMFYSA-N 0 3 323.462 2.080 20 30 DEEDHN COCC#CCN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764240 643156611 /nfs/dbraw/zinc/15/66/11/643156611.db2.gz ZYLCLBAZQJKPSM-OAHLLOKOSA-N 0 3 310.438 2.406 20 30 DEEDHN CC[C@@H](N[C@H](CC)c1cccc(C#N)c1)C(=O)N1CCOCC1 ZINC000902835301 643157660 /nfs/dbraw/zinc/15/76/60/643157660.db2.gz DFSXILXCGAAUBE-IAGOWNOFSA-N 0 3 315.417 2.236 20 30 DEEDHN CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1ccncn1 ZINC000842758771 650818898 /nfs/dbraw/zinc/81/88/98/650818898.db2.gz PEQMPVGSDDLXIP-DGCLKSJQSA-N 0 3 303.362 2.267 20 30 DEEDHN C#CCN(C(=O)Nc1ccc(C(C)=O)cc1)C1CCN(C)CC1 ZINC000902986271 643212053 /nfs/dbraw/zinc/21/20/53/643212053.db2.gz VBRFEJZCUYMYCD-UHFFFAOYSA-N 0 3 313.401 2.451 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCCOCC1 ZINC000786313868 643351617 /nfs/dbraw/zinc/35/16/17/643351617.db2.gz YDDBOWSYPWAPNN-OLZOCXBDSA-N 0 3 316.357 2.159 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@H]2CCOC2)c1 ZINC000786538731 643381108 /nfs/dbraw/zinc/38/11/08/643381108.db2.gz BNEKELANYZAVKX-HOCLYGCPSA-N 0 3 314.385 2.137 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H]2CCCO2)c1 ZINC000786549743 643383649 /nfs/dbraw/zinc/38/36/49/643383649.db2.gz KYPQTSJCBHIRHN-HOTGVXAUSA-N 0 3 314.385 2.279 20 30 DEEDHN COc1ccc(O)c(/C=N\[C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000905002094 643760248 /nfs/dbraw/zinc/76/02/48/643760248.db2.gz FZDXQDCCYDTSFT-NFMLXDHJSA-N 0 3 306.431 2.400 20 30 DEEDHN COc1cc2c(c(/C=C3\C(=O)c4ncnn4C3C)c1)O[C@H](C)C2 ZINC000905082801 643779033 /nfs/dbraw/zinc/77/90/33/643779033.db2.gz XEJMSRLFIXLZFQ-GOLSEZCXSA-N 0 3 311.341 2.451 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2[N@H+](C)CCCC2(C)C)c1[O-] ZINC000790599362 643871049 /nfs/dbraw/zinc/87/10/49/643871049.db2.gz WTWLPWOGHKLJJL-QJVAEYLJSA-N 0 3 305.422 2.127 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2[N@@H+](C)CCCC2(C)C)c1[O-] ZINC000790599362 643871051 /nfs/dbraw/zinc/87/10/51/643871051.db2.gz WTWLPWOGHKLJJL-QJVAEYLJSA-N 0 3 305.422 2.127 20 30 DEEDHN N#Cc1ccc([C@H](O)CNCc2cnn(CC3CCC3)c2)cc1 ZINC000905639904 643991917 /nfs/dbraw/zinc/99/19/17/643991917.db2.gz HTNHOTHGYLSHIA-GOSISDBHSA-N 0 3 310.401 2.378 20 30 DEEDHN N#Cc1ccc([C@@H](NCC[C@H]2CCCC2(F)F)C(N)=O)cc1 ZINC000905782011 644032764 /nfs/dbraw/zinc/03/27/64/644032764.db2.gz OYTSBRBWHCWSDR-ZIAGYGMSSA-N 0 3 307.344 2.500 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000906651036 644307982 /nfs/dbraw/zinc/30/79/82/644307982.db2.gz NPRIWYJQBKBSPZ-QGZVFWFLSA-N 0 3 311.429 2.413 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000907281705 644497934 /nfs/dbraw/zinc/49/79/34/644497934.db2.gz KSPZPWQCGOHUSM-HNNXBMFYSA-N 0 3 311.429 2.484 20 30 DEEDHN Cc1cncc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000796774502 644790606 /nfs/dbraw/zinc/79/06/06/644790606.db2.gz HDVNRNXRJDKYCS-CQSZACIVSA-N 0 3 308.341 2.065 20 30 DEEDHN CCN1CCOC[C@@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566867 644895844 /nfs/dbraw/zinc/89/58/44/644895844.db2.gz BIEQPCSELGPTRJ-NWDGAFQWSA-N 0 3 321.446 2.338 20 30 DEEDHN C#CCCCc1nnc(N2CCN(CC(C)C)CC2)n1CC=C ZINC000908721793 644966353 /nfs/dbraw/zinc/96/63/53/644966353.db2.gz YMQKIKGQEPBAMB-UHFFFAOYSA-N 0 3 315.465 2.198 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000798166167 644975624 /nfs/dbraw/zinc/97/56/24/644975624.db2.gz RJMJCXFMRVGUTF-GOSISDBHSA-N 0 3 307.397 2.404 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000798177085 644978638 /nfs/dbraw/zinc/97/86/38/644978638.db2.gz AMKUWSMOXFRTGF-KXBFYZLASA-N 0 3 319.408 2.313 20 30 DEEDHN C=CCC1(NC(=O)c2ccnn2CCN(C)C)CCCCC1 ZINC000909222840 645135719 /nfs/dbraw/zinc/13/57/19/645135719.db2.gz JPMGTMSTKCMKOM-UHFFFAOYSA-N 0 3 304.438 2.454 20 30 DEEDHN Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1C#N ZINC000799613613 645195231 /nfs/dbraw/zinc/19/52/31/645195231.db2.gz WEJHAFVKINWIRL-QGZVFWFLSA-N 0 3 315.417 2.050 20 30 DEEDHN CCN1CCCN(C(=O)c2ccccc2OCC#N)[C@@H](C)C1 ZINC000910287564 645390928 /nfs/dbraw/zinc/39/09/28/645390928.db2.gz LFBFZZOLGVEWDH-AWEZNQCLSA-N 0 3 301.390 2.145 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000801924613 645462599 /nfs/dbraw/zinc/46/25/99/645462599.db2.gz RQQCQEAGBLRBTR-HOTGVXAUSA-N 0 3 315.417 2.057 20 30 DEEDHN Cc1noc(C[C@H](NCCO[C@@H](C)C#N)c2ccccc2)n1 ZINC000801949009 645468415 /nfs/dbraw/zinc/46/84/15/645468415.db2.gz AKHDUTACNIZYHN-WFASDCNBSA-N 0 3 300.362 2.180 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000246626943 645508421 /nfs/dbraw/zinc/50/84/21/645508421.db2.gz UFAVNWYXESPQBZ-ZSZQSSIHSA-N 0 3 308.381 2.268 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000911993294 645902436 /nfs/dbraw/zinc/90/24/36/645902436.db2.gz RLYWDGOMWIEZPB-CYBMUJFWSA-N 0 3 305.378 2.276 20 30 DEEDHN C=CCCCCCCCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000807842905 645995566 /nfs/dbraw/zinc/99/55/66/645995566.db2.gz AFLIEVKVDDUQNB-QGZVFWFLSA-N 0 3 307.482 2.409 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)NC1CCN(CCOC)CC1 ZINC000912300899 646014426 /nfs/dbraw/zinc/01/44/26/646014426.db2.gz KXJYXJHKDBQGIN-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000912475931 646083479 /nfs/dbraw/zinc/08/34/79/646083479.db2.gz JRWJPZDDTMQMRF-QGZVFWFLSA-N 0 3 312.417 2.231 20 30 DEEDHN CC(C)(C)OC(=O)NC1CC(NCc2ccc(C#N)cn2)C1 ZINC000809649552 646257498 /nfs/dbraw/zinc/25/74/98/646257498.db2.gz ZMVFZBQAOSDXPB-UHFFFAOYSA-N 0 3 302.378 2.099 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4c(c3)ncn4C)CCC[C@@H]12 ZINC000991470068 646398070 /nfs/dbraw/zinc/39/80/70/646398070.db2.gz HMGCFGYUSHTWRB-MJGOQNOKSA-N 0 3 324.428 2.486 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1 ZINC000156362900 646415415 /nfs/dbraw/zinc/41/54/15/646415415.db2.gz CBDVDPTUMOMXBN-ZWNOBZJWSA-N 0 3 306.387 2.484 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1C ZINC000947857936 646454036 /nfs/dbraw/zinc/45/40/36/646454036.db2.gz USGJPWPJIVDHTK-IUODEOHRSA-N 0 3 310.401 2.087 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)Cc2ccoc2)CC1 ZINC000991580143 646512676 /nfs/dbraw/zinc/51/26/76/646512676.db2.gz AWBWVGVIFMPSRK-UHFFFAOYSA-N 0 3 323.396 2.475 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C[C@H]1C ZINC000947314772 646518847 /nfs/dbraw/zinc/51/88/47/646518847.db2.gz HVWPAJOZJVNOTF-CZUORRHYSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2OCC)C[C@H]1C ZINC000947993372 646651426 /nfs/dbraw/zinc/65/14/26/646651426.db2.gz AVCQXWBENSNIMK-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cccc4nccn43)CCC[C@@H]12 ZINC000991844094 646656898 /nfs/dbraw/zinc/65/68/98/646656898.db2.gz UXRNOGBZTBFUSY-CRAIPNDOSA-N 0 3 310.401 2.247 20 30 DEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812899746 646712228 /nfs/dbraw/zinc/71/22/28/646712228.db2.gz BTOREXJQTFANKX-CZUORRHYSA-N 0 3 303.406 2.194 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000948856973 646734345 /nfs/dbraw/zinc/73/43/45/646734345.db2.gz RJGXGVKJAOHOTI-CZUORRHYSA-N 0 3 317.433 2.341 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(CCC)n[nH]3)CCC[C@@H]12 ZINC000992083759 646847714 /nfs/dbraw/zinc/84/77/14/646847714.db2.gz HLTKANPHDPDYMR-NVXWUHKLSA-N 0 3 302.422 2.275 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3cccc(F)c3F)CCC[C@@H]12 ZINC000992285757 646928873 /nfs/dbraw/zinc/92/88/73/646928873.db2.gz GRHXKSUHAYQFND-CRAIPNDOSA-N 0 3 318.367 2.254 20 30 DEEDHN CN(C)c1ncc(CN=Nc2ncccc2C(F)(F)F)cn1 ZINC000814801158 646929741 /nfs/dbraw/zinc/92/97/41/646929741.db2.gz DJKKDBUZJPZQPK-UHFFFAOYSA-N 0 3 310.283 2.402 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(COC)on3)CCC[C@H]12 ZINC000992289677 646930342 /nfs/dbraw/zinc/93/03/42/646930342.db2.gz VALRIKPDEDJTAN-DOTOQJQBSA-N 0 3 319.405 2.124 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3c[nH]c4cccnc34)CCC[C@@H]12 ZINC000992397207 646970390 /nfs/dbraw/zinc/97/03/90/646970390.db2.gz NYTDOXOPVCJJTL-APWZRJJASA-N 0 3 322.412 2.313 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)n(C)c3C)CCC[C@@H]12 ZINC000992464210 647035879 /nfs/dbraw/zinc/03/58/79/647035879.db2.gz LFJBMOIWLOSXHG-MJGOQNOKSA-N 0 3 313.445 2.392 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccccc3F)CCC[C@@H]12 ZINC000992464370 647036279 /nfs/dbraw/zinc/03/62/79/647036279.db2.gz HQKMRLFNYBSJSN-AEFFLSMTSA-N 0 3 300.377 2.115 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cn4ccccc4n3)CCC[C@@H]12 ZINC000992474420 647048410 /nfs/dbraw/zinc/04/84/10/647048410.db2.gz ALYZBCJLXKBYAS-QAPCUYQASA-N 0 3 310.401 2.247 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3[nH]nc4ccccc43)CCC[C@@H]12 ZINC000992494484 647069502 /nfs/dbraw/zinc/06/95/02/647069502.db2.gz QVWROOXAKIRHEN-VQIMIIECSA-N 0 3 322.412 2.313 20 30 DEEDHN C#CCN(C(=O)NCc1ccccc1F)C1CCN(C)CC1 ZINC000913862864 647073372 /nfs/dbraw/zinc/07/33/72/647073372.db2.gz GAAOHVLGGRZGOD-UHFFFAOYSA-N 0 3 303.381 2.065 20 30 DEEDHN N#CC(C(=O)CC1(C#N)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000816037079 647083923 /nfs/dbraw/zinc/08/39/23/647083923.db2.gz DCAVFCHGGRBPLH-ZDUSSCGKSA-N 0 3 315.760 2.359 20 30 DEEDHN N#C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000913892122 647086687 /nfs/dbraw/zinc/08/66/87/647086687.db2.gz IXOGRLUSCZRNQP-DLBZAZTESA-N 0 3 312.417 2.206 20 30 DEEDHN N#C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000913892125 647086787 /nfs/dbraw/zinc/08/67/87/647086787.db2.gz IXOGRLUSCZRNQP-SJORKVTESA-N 0 3 312.417 2.206 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc4n(c3)CCCC4)CCC[C@H]12 ZINC000992543443 647101326 /nfs/dbraw/zinc/10/13/26/647101326.db2.gz GTZKTDCJIMQHBP-HKUYNNGSSA-N 0 3 311.429 2.184 20 30 DEEDHN C#CCN(C(=O)NCc1cccc(F)c1)C1CCN(C)CC1 ZINC000914006069 647129464 /nfs/dbraw/zinc/12/94/64/647129464.db2.gz HHSSXDITMKBEBT-UHFFFAOYSA-N 0 3 303.381 2.065 20 30 DEEDHN CCCCCCCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000818011419 647405420 /nfs/dbraw/zinc/40/54/20/647405420.db2.gz ZPYJHGDWXVHIKY-HNNXBMFYSA-N 0 3 307.442 2.261 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000818121936 647423536 /nfs/dbraw/zinc/42/35/36/647423536.db2.gz KUPNKQFVROAJPD-QWHCGFSZSA-N 0 3 317.414 2.072 20 30 DEEDHN CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000818131324 647424097 /nfs/dbraw/zinc/42/40/97/647424097.db2.gz ZPTSQODBHZOSDC-HOTGVXAUSA-N 0 3 317.433 2.155 20 30 DEEDHN N#CC(C(=O)COc1ccc(F)cc1Cl)C(=O)N1CCCC1 ZINC000193356678 647478776 /nfs/dbraw/zinc/47/87/76/647478776.db2.gz FOPGMZNJGLWLSR-LLVKDONJSA-N 0 3 324.739 2.189 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1ccccc1C(C)(C)C ZINC000818583992 647483392 /nfs/dbraw/zinc/48/33/92/647483392.db2.gz ABWWCVWSTVKGQP-UHFFFAOYSA-N 0 3 316.445 2.434 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1c(C)nc2ccccc2c1C ZINC000818584721 647483874 /nfs/dbraw/zinc/48/38/74/647483874.db2.gz VPIPQORHTJCVDQ-UHFFFAOYSA-N 0 3 323.440 2.465 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1nc(-c2cccs2)oc1C ZINC000818588762 647483884 /nfs/dbraw/zinc/48/38/84/647483884.db2.gz GCDVNHOKZCUYFM-UHFFFAOYSA-N 0 3 317.414 2.396 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000818593047 647484436 /nfs/dbraw/zinc/48/44/36/647484436.db2.gz JGLMGUXMICMIFY-ZBFHGGJFSA-N 0 3 302.418 2.407 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H](O)COc1ccccc1 ZINC000915226921 647498119 /nfs/dbraw/zinc/49/81/19/647498119.db2.gz WBXFBFHJFHSSQP-KRWDZBQOSA-N 0 3 311.381 2.228 20 30 DEEDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@H](O)c1ccc(C#N)cc1 ZINC000819083268 647580334 /nfs/dbraw/zinc/58/03/34/647580334.db2.gz YVWMHRHOLZGWQC-AEFFLSMTSA-N 0 3 308.385 2.357 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@H]1C ZINC000993324483 647604857 /nfs/dbraw/zinc/60/48/57/647604857.db2.gz GYGDTPUQFYFQEH-HUUCEWRRSA-N 0 3 316.449 2.214 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc3cc(C)ccn32)[C@H]1C ZINC000993371400 647631962 /nfs/dbraw/zinc/63/19/62/647631962.db2.gz XOERWYQHVCBINQ-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)[C@@H]1C ZINC000993422266 647662407 /nfs/dbraw/zinc/66/24/07/647662407.db2.gz APSCZYGZJHDXJI-WFASDCNBSA-N 0 3 315.417 2.433 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc(COC)c2)[C@@H]1C ZINC000993469921 647674212 /nfs/dbraw/zinc/67/42/12/647674212.db2.gz YYHFSXVPXIJZDB-WMLDXEAASA-N 0 3 317.433 2.387 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn3cc(C)ccc3n2)[C@@H]1C ZINC000993485077 647684659 /nfs/dbraw/zinc/68/46/59/647684659.db2.gz BXTJDLTULCRSCC-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2COC)[C@@H]1C ZINC000993576376 647695982 /nfs/dbraw/zinc/69/59/82/647695982.db2.gz ZTYBFDRYFBPFHV-MAUKXSAKSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc3cnccc3c2)[C@@H]1C ZINC000993585042 647698026 /nfs/dbraw/zinc/69/80/26/647698026.db2.gz BSZOQXSPPNGBBT-WMLDXEAASA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(OCC)no2)[C@H]1C ZINC000993612523 647707149 /nfs/dbraw/zinc/70/71/49/647707149.db2.gz IKTDRAAFONEMMG-CHWSQXEVSA-N 0 3 307.394 2.232 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@H]1C ZINC000993628136 647719441 /nfs/dbraw/zinc/71/94/41/647719441.db2.gz YYSMMIGTSOQQPN-RHSMWYFYSA-N 0 3 318.465 2.070 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@@H]1C ZINC000993711674 647728779 /nfs/dbraw/zinc/72/87/79/647728779.db2.gz APZJOCQORINMSZ-WMLDXEAASA-N 0 3 317.433 2.178 20 30 DEEDHN Cc1cccc(NC(=S)NN=C2CCN(CCO)CC2)c1C ZINC000819801670 647729537 /nfs/dbraw/zinc/72/95/37/647729537.db2.gz PBLQKFXVNHQAIS-UHFFFAOYSA-N 0 3 320.462 2.034 20 30 DEEDHN OCCN1CCC(N=Nc2ccccc2Br)CC1 ZINC000819803000 647729712 /nfs/dbraw/zinc/72/97/12/647729712.db2.gz DTWGRJMMROSXAI-UHFFFAOYSA-N 0 3 312.211 2.305 20 30 DEEDHN CC(C)c1c(Cl)ncnc1N=NC1CCN(CCO)CC1 ZINC000819810145 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N#Cc1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)co1 ZINC000868961848 688189107 /nfs/dbraw/zinc/18/91/07/688189107.db2.gz DAQHJSYMTIXYLW-MAUKXSAKSA-N 0 3 321.380 2.498 20 30 DEEDHN CC[C@H](SC)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018722649 688217768 /nfs/dbraw/zinc/21/77/68/688217768.db2.gz AEGWVECYZDBHLU-FZMZJTMJSA-N 0 3 323.487 2.452 20 30 DEEDHN CC1(C(=O)N2CC[C@H](NCc3ccc(F)c(C#N)c3)C2)CC1 ZINC001018891952 688247217 /nfs/dbraw/zinc/24/72/17/688247217.db2.gz XDPSRCDCKTXRCR-AWEZNQCLSA-N 0 3 301.365 2.188 20 30 DEEDHN Cc1cccc([C@H](O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000930543091 694185967 /nfs/dbraw/zinc/18/59/67/694185967.db2.gz KROORJCCCULUFM-ZWKOTPCHSA-N 0 3 323.396 2.448 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC001019315766 688327108 /nfs/dbraw/zinc/32/71/08/688327108.db2.gz REPUOYMWVLMISI-HNNXBMFYSA-N 0 3 304.821 2.441 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001020177168 688479013 /nfs/dbraw/zinc/47/90/13/688479013.db2.gz QRFPUXYGPBPTAX-JHJVBQTASA-N 0 3 322.840 2.383 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H](NCc2ncccc2C)C1 ZINC001020239740 688489099 /nfs/dbraw/zinc/48/90/99/688489099.db2.gz FWDNROYXIMGVSX-WKILWMFISA-N 0 3 324.428 2.428 20 30 DEEDHN Cc1cccc(CO[C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000870134253 688493500 /nfs/dbraw/zinc/49/35/00/688493500.db2.gz LPBWFDHXGHDSHQ-HOCLYGCPSA-N 0 3 314.385 2.231 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001020312291 688502227 /nfs/dbraw/zinc/50/22/27/688502227.db2.gz GDTPYAHQZOGAKF-HAQNSBGRSA-N 0 3 318.808 2.176 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001028540117 688540560 /nfs/dbraw/zinc/54/05/60/688540560.db2.gz FEDYTLMMKGTSBU-OAHLLOKOSA-N 0 3 315.417 2.011 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2CCCc3c(cnn3C)C2)cc1 ZINC000930713506 694224061 /nfs/dbraw/zinc/22/40/61/694224061.db2.gz YJTVAMCDXRDJAH-UHFFFAOYSA-N 0 3 322.412 2.178 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000930761873 694235371 /nfs/dbraw/zinc/23/53/71/694235371.db2.gz XAIMYYZDONCKHN-IPYPFGDCSA-N 0 3 314.389 2.145 20 30 DEEDHN Cc1cc(C)cc(CN2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001031602755 688960303 /nfs/dbraw/zinc/96/03/03/688960303.db2.gz PPXOAYKTRSSHSN-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001032206903 689083072 /nfs/dbraw/zinc/08/30/72/689083072.db2.gz QAPVLXSKNZWHFB-UHFFFAOYSA-N 0 3 309.413 2.415 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)ncn2C ZINC001032485992 689163754 /nfs/dbraw/zinc/16/37/54/689163754.db2.gz GNFFNSNKAZMZDL-HOTGVXAUSA-N 0 3 324.428 2.438 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCOCC1 ZINC001032662348 689216896 /nfs/dbraw/zinc/21/68/96/689216896.db2.gz LEUCQLHXTVWLBL-IRXDYDNUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(F)ccc1F ZINC001032744088 689244586 /nfs/dbraw/zinc/24/45/86/689244586.db2.gz UOWMGVLNRPULNV-KBPBESRZSA-N 0 3 322.355 2.205 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)cc1 ZINC001032749653 689245810 /nfs/dbraw/zinc/24/58/10/689245810.db2.gz QXYMZLHRQIAWDM-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001033137872 689402026 /nfs/dbraw/zinc/40/20/26/689402026.db2.gz AXFDSKBOVJDIMX-OAHLLOKOSA-N 0 3 315.417 2.387 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033161559 689409553 /nfs/dbraw/zinc/40/95/53/689409553.db2.gz TWGHOEBLEHGXBG-CQSZACIVSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2OCC=C)C1 ZINC001033203035 689423870 /nfs/dbraw/zinc/42/38/70/689423870.db2.gz JDVGSCNUHRLOIA-INIZCTEOSA-N 0 3 312.413 2.421 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001033226699 689430976 /nfs/dbraw/zinc/43/09/76/689430976.db2.gz UXVYQFBXWUSHSI-LBPRGKRZSA-N 0 3 320.824 2.110 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001033324121 689461841 /nfs/dbraw/zinc/46/18/41/689461841.db2.gz CNOOLMPXXXVIES-MRXNPFEDSA-N 0 3 324.428 2.051 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3c2OCC3)C1 ZINC001033450267 689503755 /nfs/dbraw/zinc/50/37/55/689503755.db2.gz VLOBOLDAZSACQT-OAHLLOKOSA-N 0 3 300.402 2.344 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)CSc1ccc(C#N)cc1 ZINC000874840093 689513058 /nfs/dbraw/zinc/51/30/58/689513058.db2.gz JWZAHTZJNVHAEZ-HZPDHXFCSA-N 0 3 315.442 2.345 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033510165 689526254 /nfs/dbraw/zinc/52/62/54/689526254.db2.gz WNIMPBMZUAHKLH-KRWDZBQOSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3nccnc32)C1 ZINC001033534254 689534701 /nfs/dbraw/zinc/53/47/01/689534701.db2.gz LGHJTRCHUPNDMW-CQSZACIVSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc3sccc3[nH]2)C1 ZINC001033552796 689539759 /nfs/dbraw/zinc/53/97/59/689539759.db2.gz IRDSOEFGMKUTNS-GFCCVEGCSA-N 0 3 301.415 2.399 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001033562015 689543673 /nfs/dbraw/zinc/54/36/73/689543673.db2.gz KXROCDAKAYJUAM-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(COC)c(F)c2)C1 ZINC001033612841 689560129 /nfs/dbraw/zinc/56/01/29/689560129.db2.gz ICQSWMSRHVUXEW-MRXNPFEDSA-N 0 3 318.392 2.142 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccccc2OC)C1 ZINC001033641540 689569356 /nfs/dbraw/zinc/56/93/56/689569356.db2.gz FPAFEHHPGOWYNB-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001033682036 689582247 /nfs/dbraw/zinc/58/22/47/689582247.db2.gz ZLVLZPGZHLGFCW-AWEZNQCLSA-N 0 3 312.417 2.214 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)OCC(F)(F)F)CC1 ZINC000875247471 689595840 /nfs/dbraw/zinc/59/58/40/689595840.db2.gz LVLWYSUPJBJXJK-UHFFFAOYSA-N 0 3 309.332 2.162 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnn(C3CCC3)c2)C1 ZINC001033827817 689629416 /nfs/dbraw/zinc/62/94/16/689629416.db2.gz JMSFOGKOFDOAMO-QGZVFWFLSA-N 0 3 314.433 2.168 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC001033841867 689633773 /nfs/dbraw/zinc/63/37/73/689633773.db2.gz BUFTZXQDHWBPOL-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cn3c(n2)CCCC3)C1 ZINC001033852115 689638154 /nfs/dbraw/zinc/63/81/54/689638154.db2.gz JSNMCSGGOARJQQ-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnc3cc(C)ccn32)C1 ZINC001033850951 689638385 /nfs/dbraw/zinc/63/83/85/689638385.db2.gz QNFHDPDAZVPBQY-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033915914 689660599 /nfs/dbraw/zinc/66/05/99/689660599.db2.gz JDRYSVMUDNVYTO-CQSZACIVSA-N 0 3 303.406 2.358 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033969590 689677548 /nfs/dbraw/zinc/67/75/48/689677548.db2.gz OZZOTGQTBKDDSP-LJQANCHMSA-N 0 3 310.441 2.348 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnn(CC(C)C)c2)C1 ZINC001033997381 689687354 /nfs/dbraw/zinc/68/73/54/689687354.db2.gz GZRYTCKTNONQGJ-KRWDZBQOSA-N 0 3 316.449 2.099 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001034059180 689710133 /nfs/dbraw/zinc/71/01/33/689710133.db2.gz BBQPQMMJEYWILZ-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CC[C@H](CCOC)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000875919963 689717966 /nfs/dbraw/zinc/71/79/66/689717966.db2.gz SOWIIXUAUAPHFH-MRXNPFEDSA-N 0 3 323.481 2.178 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001034229077 689771857 /nfs/dbraw/zinc/77/18/57/689771857.db2.gz CTOXHGRAJKKYDH-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001034254154 689783452 /nfs/dbraw/zinc/78/34/52/689783452.db2.gz PYTUDWQUHXHXPJ-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001034273060 689790134 /nfs/dbraw/zinc/79/01/34/689790134.db2.gz ZNXWHTHROMLNFC-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001034291991 689797885 /nfs/dbraw/zinc/79/78/85/689797885.db2.gz AFZRAKUSBJMULC-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001034373337 689827129 /nfs/dbraw/zinc/82/71/29/689827129.db2.gz RDNONZBADMASEL-OAHLLOKOSA-N 0 3 303.406 2.169 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001034394565 689832794 /nfs/dbraw/zinc/83/27/94/689832794.db2.gz OYBBKAWSILZFOC-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001034444402 689852879 /nfs/dbraw/zinc/85/28/79/689852879.db2.gz PDXKSHISANGBIJ-SWLSCSKDSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000876609015 689874915 /nfs/dbraw/zinc/87/49/15/689874915.db2.gz OQCBMVHZXWEKSE-CHWSQXEVSA-N 0 3 324.808 2.495 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(F)c(COC)c1 ZINC000876649340 689888991 /nfs/dbraw/zinc/88/89/91/689888991.db2.gz SWRAVHLLJZYLNB-ZDUSSCGKSA-N 0 3 300.761 2.058 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000876649515 689889096 /nfs/dbraw/zinc/88/90/96/689889096.db2.gz YEOZRAQRGVROAH-GFCCVEGCSA-N 0 3 300.761 2.311 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 ZINC001034547012 689894225 /nfs/dbraw/zinc/89/42/25/689894225.db2.gz NPTHFSAQAAAPAW-HNNXBMFYSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000876676385 689898596 /nfs/dbraw/zinc/89/85/96/689898596.db2.gz XRGVQYCPJFPLIK-KGLIPLIRSA-N 0 3 310.781 2.263 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)c2ccon2)CC1 ZINC001034597757 689909163 /nfs/dbraw/zinc/90/91/63/689909163.db2.gz LZFXCTZWNAOKJE-WKILWMFISA-N 0 3 324.384 2.377 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2ccccc2C)CC1 ZINC000876709550 689911791 /nfs/dbraw/zinc/91/17/91/689911791.db2.gz UUJARSGNMIDDTA-CQSZACIVSA-N 0 3 307.825 2.114 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(-c2nncn2CC)c1 ZINC000876731536 689919365 /nfs/dbraw/zinc/91/93/65/689919365.db2.gz RRDDWFUGXZVGLP-CYBMUJFWSA-N 0 3 319.796 2.373 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc2ccccc2n1 ZINC000876742794 689924451 /nfs/dbraw/zinc/92/44/51/689924451.db2.gz UBDHYHSNHUWNNV-AWEZNQCLSA-N 0 3 303.793 2.363 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000876773126 689932488 /nfs/dbraw/zinc/93/24/88/689932488.db2.gz WYOMJZCIUUZVJJ-SNVBAGLBSA-N 0 3 308.769 2.302 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000876886222 689964620 /nfs/dbraw/zinc/96/46/20/689964620.db2.gz WKRDLHGZGYUGRF-OAHLLOKOSA-N 0 3 307.825 2.333 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000876887923 689965026 /nfs/dbraw/zinc/96/50/26/689965026.db2.gz JRCSMBBZCWZYAT-QMTHXVAHSA-N 0 3 324.808 2.447 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000876895725 689966954 /nfs/dbraw/zinc/96/69/54/689966954.db2.gz JWBWCBNXNRTXTA-XHDPSFHLSA-N 0 3 310.825 2.460 20 30 DEEDHN COc1ccc(F)cc1CNC[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001034879599 689976684 /nfs/dbraw/zinc/97/66/84/689976684.db2.gz GYVXHXVWSNRGRQ-SWLSCSKDSA-N 0 3 319.380 2.075 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC000876935138 689976960 /nfs/dbraw/zinc/97/69/60/689976960.db2.gz QLTHVIVIZDRRON-WDEREUQCSA-N 0 3 312.822 2.126 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC001035019350 690012108 /nfs/dbraw/zinc/01/21/08/690012108.db2.gz VCVMMIBIPKUARU-MAZHCROVSA-N 0 3 315.392 2.434 20 30 DEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(OC)c1OC ZINC000877228710 690050668 /nfs/dbraw/zinc/05/06/68/690050668.db2.gz CPDVNLRSTGYYJM-KGLIPLIRSA-N 0 3 319.405 2.292 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccnn1C(C)C)CC2 ZINC001035714849 690158603 /nfs/dbraw/zinc/15/86/03/690158603.db2.gz XHRNDKVTMWEJRU-UHFFFAOYSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc3[nH]ccc3n1)CC2 ZINC001035750569 690167868 /nfs/dbraw/zinc/16/78/68/690167868.db2.gz MCZXMRJMAKOTTG-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(OC)cs1)CC2 ZINC001035764003 690170518 /nfs/dbraw/zinc/17/05/18/690170518.db2.gz FMBPVJDLVHDMOV-UHFFFAOYSA-N 0 3 318.442 2.318 20 30 DEEDHN C#CC[C@H]1CCN(Cc2cnn3cc(Br)cnc23)C1 ZINC000877651134 690179926 /nfs/dbraw/zinc/17/99/26/690179926.db2.gz RYDBGNZAFLLQBP-NSHDSACASA-N 0 3 319.206 2.337 20 30 DEEDHN C=CCN1CC2(C1)CCN(C(=O)Cn1ccnc1C(C)C)CC2 ZINC001035807589 690181723 /nfs/dbraw/zinc/18/17/23/690181723.db2.gz LCPCWGNDASGMMU-UHFFFAOYSA-N 0 3 316.449 2.117 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1coc(CCC)n1)CC2 ZINC001035836123 690188338 /nfs/dbraw/zinc/18/83/38/690188338.db2.gz GXJAWGYCWFXKKT-UHFFFAOYSA-N 0 3 315.417 2.188 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1csc(C)n1)CC2 ZINC001035847276 690192029 /nfs/dbraw/zinc/19/20/29/690192029.db2.gz KIDFHMNKJNVDKU-UHFFFAOYSA-N 0 3 319.474 2.495 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1c(C)noc1C)CC2 ZINC001035847897 690192534 /nfs/dbraw/zinc/19/25/34/690192534.db2.gz JGEQZFGZWNHPRK-UHFFFAOYSA-N 0 3 317.433 2.334 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)C[C@H]1CCCO1)CC2 ZINC001035861896 690196249 /nfs/dbraw/zinc/19/62/49/690196249.db2.gz 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C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1csc(COC)n1 ZINC001049926092 693049932 /nfs/dbraw/zinc/04/99/32/693049932.db2.gz JLLVDKYIWOHJGY-KBPBESRZSA-N 0 3 321.446 2.154 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)C1CCN(C)CC1 ZINC000924042396 693084186 /nfs/dbraw/zinc/08/41/86/693084186.db2.gz OFFNXBOOJRGNLW-OTRWWLKZSA-N 0 3 303.450 2.018 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccnn3CC(C)C)[C@@H]2C1 ZINC001050059455 693096105 /nfs/dbraw/zinc/09/61/05/693096105.db2.gz BCOAINGONRMJAD-DOTOQJQBSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)nnc3CC)[C@@H]2C1 ZINC001050080646 693103443 /nfs/dbraw/zinc/10/34/43/693103443.db2.gz AKEUBDRKIKWAOH-WMLDXEAASA-N 0 3 314.433 2.070 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001050094518 693106899 /nfs/dbraw/zinc/10/68/99/693106899.db2.gz XIGFYORWFRPNKU-YESZJQIVSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001050164296 693126332 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C#CCN1CCC2(CN(C(=O)c3ccc(OCC=C)cc3)C2)CC1 ZINC001050568277 693208520 /nfs/dbraw/zinc/20/85/20/693208520.db2.gz QLJVWVKZKNYPDD-UHFFFAOYSA-N 0 3 324.424 2.423 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cc(COC)cs3)C2)CC1 ZINC001050582814 693210892 /nfs/dbraw/zinc/21/08/92/693210892.db2.gz MCSBRAJUAKHJDL-UHFFFAOYSA-N 0 3 318.442 2.066 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccc(C)c(F)c3)C2)CC1 ZINC001050585014 693211491 /nfs/dbraw/zinc/21/14/91/693211491.db2.gz BLDVFWXIQXEBNZ-UHFFFAOYSA-N 0 3 300.377 2.305 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccc4ccncc4c3)C2)CC1 ZINC001050720459 693237819 /nfs/dbraw/zinc/23/78/19/693237819.db2.gz PEZCUASLKKTMIF-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cc4c([nH]3)CCCC4)C2)CC1 ZINC001050722617 693238020 /nfs/dbraw/zinc/23/80/20/693238020.db2.gz HAPKZKXNTREKHB-UHFFFAOYSA-N 0 3 311.429 2.065 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCO[C@H](CC)C3)C2)CC1 ZINC001050722742 693238074 /nfs/dbraw/zinc/23/80/74/693238074.db2.gz JXZBXVVZCSDRCZ-DLBZAZTESA-N 0 3 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/nfs/dbraw/zinc/89/25/61/1152892561.db2.gz QZCMRXMZLAKEEZ-LBPRGKRZSA-N 0 3 304.394 2.004 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001381342247 1153010159 /nfs/dbraw/zinc/01/01/59/1153010159.db2.gz ODRYLFSJUYWLTL-SSDMNJCBSA-N 0 3 320.820 2.400 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)C(C)(C)C1 ZINC001362968548 1153164279 /nfs/dbraw/zinc/16/42/79/1153164279.db2.gz CNLCAHZLSXIXLI-MRXNPFEDSA-N 0 3 310.401 2.500 20 30 DEEDHN CC(C)[C@H](CCN(C)C(=O)[C@H](C)C#N)NCc1nccs1 ZINC001381724419 1153196730 /nfs/dbraw/zinc/19/67/30/1153196730.db2.gz ZNTNGOQVTCPKKH-OLZOCXBDSA-N 0 3 308.451 2.265 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)Cn1cncc1C)C(C)(C)C ZINC001382519965 1153462169 /nfs/dbraw/zinc/46/21/69/1153462169.db2.gz JDAUUZVYEUZKPT-CYBMUJFWSA-N 0 3 312.845 2.065 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)[C@@H]1C ZINC001388802155 1155092264 /nfs/dbraw/zinc/09/22/64/1155092264.db2.gz QSQPNBYHZUTVKD-VBQJREDUSA-N 0 3 322.412 2.473 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2cccc(C)c2)C1 ZINC001390009479 1155498028 /nfs/dbraw/zinc/49/80/28/1155498028.db2.gz DMCGOYFUOUVRJP-OKILXGFUSA-N 0 3 308.809 2.363 20 30 DEEDHN C[C@H](CNC(=O)CC(F)(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001403096887 1162710181 /nfs/dbraw/zinc/71/01/81/1162710181.db2.gz CWWJMQAQJRDZHJ-LLVKDONJSA-N 0 3 313.323 2.447 20 30 DEEDHN CSC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001371136491 1155730336 /nfs/dbraw/zinc/73/03/36/1155730336.db2.gz BRZWBHDRMAVNLK-RYUDHWBXSA-N 0 3 323.437 2.291 20 30 DEEDHN CCC(=O)NCCN(Cc1ccc(OCC#N)cc1)C1CC1 ZINC001391151398 1156182302 /nfs/dbraw/zinc/18/23/02/1156182302.db2.gz PEDJPFWFPHWVAE-UHFFFAOYSA-N 0 3 301.390 2.080 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)Cc3ccoc3)C2)cc1 ZINC001372613351 1156606935 /nfs/dbraw/zinc/60/69/35/1156606935.db2.gz OTQAIWJGXABBQH-SFHVURJKSA-N 0 3 323.396 2.332 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372652947 1156641718 /nfs/dbraw/zinc/64/17/18/1156641718.db2.gz HZIWUUAAUMXIAC-IRXDYDNUSA-N 0 3 317.408 2.490 20 30 DEEDHN CC[C@H](CNC(=O)c1ncoc1C)NCc1ccc(C#N)s1 ZINC001391665036 1156665564 /nfs/dbraw/zinc/66/55/64/1156665564.db2.gz IVTXLZJUIGGGDN-LLVKDONJSA-N 0 3 318.402 2.214 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001391789339 1156803327 /nfs/dbraw/zinc/80/33/27/1156803327.db2.gz OFKDPXKDUIUSQL-XJKSGUPXSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)C(C)C ZINC001392228038 1156898353 /nfs/dbraw/zinc/89/83/53/1156898353.db2.gz DEQPAACCDBFODZ-CQSZACIVSA-N 0 3 324.856 2.394 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CC12CCC2 ZINC001392514015 1157086373 /nfs/dbraw/zinc/08/63/73/1157086373.db2.gz VHMMMKMVKNIAOQ-IUODEOHRSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@@H](C)CCNC(=O)[C@H](C)C#N ZINC001393799138 1157994221 /nfs/dbraw/zinc/99/42/21/1157994221.db2.gz XHLMRDSNIIOHTK-NEPJUHHUSA-N 0 3 306.410 2.251 20 30 DEEDHN CCO[C@@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001374753524 1158006643 /nfs/dbraw/zinc/00/66/43/1158006643.db2.gz CJZPVPZYYOFBID-IUODEOHRSA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)c1c[nH]c(C#N)c1 ZINC001374883792 1158073984 /nfs/dbraw/zinc/07/39/84/1158073984.db2.gz MFEVXTBDQHLGAD-RYUDHWBXSA-N 0 3 314.364 2.495 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001394025972 1158171551 /nfs/dbraw/zinc/17/15/51/1158171551.db2.gz QGBXICFFWIPXCC-STQMWFEESA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](CN(C)C(=O)C1(C)CC1)NCc1ccc(F)c(C#N)c1 ZINC001403569307 1163009368 /nfs/dbraw/zinc/00/93/68/1163009368.db2.gz ZVDMTOHKTOWSCT-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)Cn2ccnc2C)C1 ZINC001376630569 1159615396 /nfs/dbraw/zinc/61/53/96/1159615396.db2.gz YEXFXLAENXPREG-HIFRSBDPSA-N 0 3 324.856 2.161 20 30 DEEDHN C[C@@H](CNC(=O)c1cccnc1)NCc1ccc(C#N)c(F)c1 ZINC001376676061 1159664672 /nfs/dbraw/zinc/66/46/72/1159664672.db2.gz JVGLKTDNPIQHRA-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001376780910 1159791840 /nfs/dbraw/zinc/79/18/40/1159791840.db2.gz QCRSTHBKINMEFY-DFBGVHRSSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@H](OC)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001377007513 1159874419 /nfs/dbraw/zinc/87/44/19/1159874419.db2.gz JMJWDWRBOYBJTG-WBMJQRKESA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](OC)C2CCC2)C1 ZINC001397073584 1159943098 /nfs/dbraw/zinc/94/30/98/1159943098.db2.gz CHNICBNMYHTBOL-KWCYVHTRSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1OCC ZINC001397179850 1160036467 /nfs/dbraw/zinc/03/64/67/1160036467.db2.gz ZJRXMOFIUOWIPF-MGPQQGTHSA-N 0 3 320.836 2.186 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H](OC)C(C)C ZINC001377486064 1160418172 /nfs/dbraw/zinc/41/81/72/1160418172.db2.gz YEGGRINTGAPWQP-NWDGAFQWSA-N 0 3 321.259 2.050 20 30 DEEDHN CC[C@@H](F)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001397739482 1160434107 /nfs/dbraw/zinc/43/41/07/1160434107.db2.gz NZLSFPRNDCRTCH-YUELXQCFSA-N 0 3 320.412 2.465 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(c3cccnc3)CC2)C1 ZINC001377709441 1160765694 /nfs/dbraw/zinc/76/56/94/1160765694.db2.gz DINPBWRXEPXBJY-UHFFFAOYSA-N 0 3 319.836 2.350 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001398543303 1160961737 /nfs/dbraw/zinc/96/17/37/1160961737.db2.gz VVQUJQGATKEGNQ-KKUMJFAQSA-N 0 3 324.856 2.460 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccn2cc(C)nc2c1 ZINC001399406827 1161381492 /nfs/dbraw/zinc/38/14/92/1161381492.db2.gz YUAHGHNATGKFJS-LBPRGKRZSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C1(C)CCOCC1)C(C)C ZINC001401347181 1161941200 /nfs/dbraw/zinc/94/12/00/1161941200.db2.gz WONWBNQXJXSEAZ-CYBMUJFWSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001401898185 1162171836 /nfs/dbraw/zinc/17/18/36/1162171836.db2.gz YBBGMBOZYDVVPK-CQSZACIVSA-N 0 3 313.873 2.194 20 30 DEEDHN Cc1cnccc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001401943875 1162192146 /nfs/dbraw/zinc/19/21/46/1162192146.db2.gz JEFGMBPDYFDOPW-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3CC[C@H](F)C3)CC2)cc1 ZINC001401958906 1162197028 /nfs/dbraw/zinc/19/70/28/1162197028.db2.gz OEUHJHKGMWDNNK-HOTGVXAUSA-N 0 3 315.392 2.435 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001402119972 1162252880 /nfs/dbraw/zinc/25/28/80/1162252880.db2.gz BNBCEPUHYDGODA-CXAGYDPISA-N 0 3 303.381 2.396 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001404015228 1163376572 /nfs/dbraw/zinc/37/65/72/1163376572.db2.gz GVSSMSNIXPVKJS-UHFFFAOYSA-N 0 3 321.852 2.454 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cccc(OC)c1Cl ZINC001405216951 1164017160 /nfs/dbraw/zinc/01/71/60/1164017160.db2.gz REUACONFZNZMKB-AAEUAGOBSA-N 0 3 323.824 2.493 20 30 DEEDHN CC[C@H](CNC(=O)C1(C)CC1)NCc1ccc(C#N)c(F)c1 ZINC001405253739 1164029470 /nfs/dbraw/zinc/02/94/70/1164029470.db2.gz LBDGALQPVJJBIO-CQSZACIVSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccn(C)n2)CCCC[C@H]1C ZINC001405453929 1164099352 /nfs/dbraw/zinc/09/93/52/1164099352.db2.gz CYBAODYRNAXSSL-MLGOLLRUSA-N 0 3 324.856 2.441 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](OC)C1CCC1)C1CC1 ZINC001405482338 1164113650 /nfs/dbraw/zinc/11/36/50/1164113650.db2.gz UAKSLLBDDPACSG-HOCLYGCPSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc2nccn21)C(C)C ZINC001406052189 1164410115 /nfs/dbraw/zinc/41/01/15/1164410115.db2.gz UXHGMWCITZSSAX-ZDUSSCGKSA-N 0 3 320.824 2.431 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccco1 ZINC001406320614 1164529575 /nfs/dbraw/zinc/52/95/75/1164529575.db2.gz DFJMVERLOXWLLU-LLVKDONJSA-N 0 3 301.321 2.198 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001406622160 1164740395 /nfs/dbraw/zinc/74/03/95/1164740395.db2.gz OXBYAFUBMYXLGR-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CS[C@@H](C)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001406908403 1164879131 /nfs/dbraw/zinc/87/91/31/1164879131.db2.gz OUFHMJQNMZDAJV-ZDUSSCGKSA-N 0 3 317.458 2.438 20 30 DEEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC001407004360 1164920063 /nfs/dbraw/zinc/92/00/63/1164920063.db2.gz IJFBSAVGXASMLR-ZDUSSCGKSA-N 0 3 314.857 2.477 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCc3ccccc3[C@@H]2CO)c1 ZINC001413960351 1165699548 /nfs/dbraw/zinc/69/95/48/1165699548.db2.gz ZIRWGCLLYZBTAN-RBUKOAKNSA-N 0 3 308.381 2.183 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001417899696 1167292531 /nfs/dbraw/zinc/29/25/31/1167292531.db2.gz PYWOEXYXFOIMOB-TZMCWYRMSA-N 0 3 308.813 2.202 20 30 DEEDHN Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)c(C)n1 ZINC001418121963 1167424612 /nfs/dbraw/zinc/42/46/12/1167424612.db2.gz IWAUXHVUGGLNRR-BBRMVZONSA-N 0 3 314.433 2.186 20 30 DEEDHN C[C@@H](CNC(=O)C1(C2CC2)CC1)NCc1ccc(F)c(C#N)c1 ZINC001418236090 1167509412 /nfs/dbraw/zinc/50/94/12/1167509412.db2.gz KZDMQFGFUZRPQR-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001418416140 1167639403 /nfs/dbraw/zinc/63/94/03/1167639403.db2.gz ANFRRCGKAPECIG-KGYLQXTDSA-N 0 3 315.255 2.426 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001418607977 1167841019 /nfs/dbraw/zinc/84/10/19/1167841019.db2.gz AZDSRJVVDXGGHX-COPLHBTASA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001418653431 1167866336 /nfs/dbraw/zinc/86/63/36/1167866336.db2.gz ZHIQNYZZZJTHPB-OTVXOJSOSA-N 0 3 324.856 2.243 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CCC(F)F)C1 ZINC001419416802 1168458837 /nfs/dbraw/zinc/45/88/37/1168458837.db2.gz KJHMCDPVJCGROA-KYZUINATSA-N 0 3 311.170 2.177 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001419521328 1168570592 /nfs/dbraw/zinc/57/05/92/1168570592.db2.gz PTUFPIIYXDOGJP-QLFBSQMISA-N 0 3 308.809 2.363 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001419692410 1168805310 /nfs/dbraw/zinc/80/53/10/1168805310.db2.gz BUSDXFMJYVPOIX-SMDDNHRTSA-N 0 3 309.360 2.382 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)CCCn1ccnc1C ZINC001419726897 1168822267 /nfs/dbraw/zinc/82/22/67/1168822267.db2.gz JGGHONFMKBRDEI-CYBMUJFWSA-N 0 3 312.845 2.161 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ncc(F)cc1F)C(C)C ZINC001419892240 1168894856 /nfs/dbraw/zinc/89/48/56/1168894856.db2.gz SBTYJEXXFAYJOY-GFCCVEGCSA-N 0 3 317.767 2.456 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1ccns1 ZINC001420105370 1169163838 /nfs/dbraw/zinc/16/38/38/1169163838.db2.gz OOIZLVHZLVFFAN-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001420322257 1169358146 /nfs/dbraw/zinc/35/81/46/1169358146.db2.gz SEEAZBXCULWQSB-WBMJQRKESA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001420482796 1169635766 /nfs/dbraw/zinc/63/57/66/1169635766.db2.gz XKWKCZNNLUTPTK-XJKSGUPXSA-N 0 3 303.381 2.396 20 30 DEEDHN CC(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C1CCCC1 ZINC001421146036 1171528353 /nfs/dbraw/zinc/52/83/53/1171528353.db2.gz FSDJANLZWUTFQP-KRWDZBQOSA-N 0 3 303.381 2.482 20 30 DEEDHN CC[C@@H](CNC(=O)C1(COC)CC1)NCc1ccc(C#N)s1 ZINC001421434992 1171797527 /nfs/dbraw/zinc/79/75/27/1171797527.db2.gz ZTGDUZZOIQHENB-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C#N)[nH]2)CCCC1 ZINC001421500529 1171823968 /nfs/dbraw/zinc/82/39/68/1171823968.db2.gz BOMCMCAZOMMAKQ-UHFFFAOYSA-N 0 3 306.797 2.271 20 30 DEEDHN CCc1onc(C)c1CNC[C@](C)(NC(=O)[C@@H](C)C#N)C1CC1 ZINC001421543407 1171840949 /nfs/dbraw/zinc/84/09/49/1171840949.db2.gz IRDFXPIATYSEPX-GTNSWQLSSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001421553129 1171844581 /nfs/dbraw/zinc/84/45/81/1171844581.db2.gz PIXDWHBMSDLVBA-HGTKMLMNSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001422148013 1172345693 /nfs/dbraw/zinc/34/56/93/1172345693.db2.gz FSMXEJYXXRQVKM-WFASDCNBSA-N 0 3 308.809 2.227 20 30 DEEDHN C[C@@H](CNC(=O)C1(C)CC1)N(C)Cc1ccc(OCC#N)cc1 ZINC001422510885 1172663706 /nfs/dbraw/zinc/66/37/06/1172663706.db2.gz XISADXXARBDVND-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CCn1cccc1 ZINC001422715719 1172827217 /nfs/dbraw/zinc/82/72/17/1172827217.db2.gz PKOSQXVFDYYPFI-ZDUSSCGKSA-N 0 3 316.430 2.106 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cc[nH]c1)NCc1ccc(C#N)s1 ZINC001423051244 1173045034 /nfs/dbraw/zinc/04/50/34/1173045034.db2.gz SEHJTKPQIJBREU-LLVKDONJSA-N 0 3 302.403 2.198 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CCC ZINC001423329542 1173248747 /nfs/dbraw/zinc/24/87/47/1173248747.db2.gz VWRHBXYYULNMIQ-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 ZINC001425336054 1174289874 /nfs/dbraw/zinc/28/98/74/1174289874.db2.gz ZEGAFBRKBUCYST-NGFQHRJXSA-N 0 3 317.820 2.294 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001425398759 1174306584 /nfs/dbraw/zinc/30/65/84/1174306584.db2.gz GDVWSCGQODZPOH-HAQNSBGRSA-N 0 3 312.797 2.277 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001425415848 1174310922 /nfs/dbraw/zinc/31/09/22/1174310922.db2.gz IBKWEHLCDYTMJH-HDJSIYSDSA-N 0 3 307.825 2.495 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cncs1)NCc1ccc(C#N)s1 ZINC001425526688 1174352144 /nfs/dbraw/zinc/35/21/44/1174352144.db2.gz CZJUJDBCYTWDGU-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001436339676 1179051813 /nfs/dbraw/zinc/05/18/13/1179051813.db2.gz KZWAARNNQRJEMI-KCQAQPDRSA-N 0 3 303.381 2.278 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)COC)C1 ZINC001436472874 1179124445 /nfs/dbraw/zinc/12/44/45/1179124445.db2.gz NEHRPMPVHJNCSY-TZMCWYRMSA-N 0 3 302.846 2.382 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001436979854 1179327493 /nfs/dbraw/zinc/32/74/93/1179327493.db2.gz NORZGXPMZCPKEC-BETUJISGSA-N 0 3 312.772 2.194 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CC1(C)C)NCc1ccc(F)c(C#N)c1 ZINC001437123643 1179445694 /nfs/dbraw/zinc/44/56/94/1179445694.db2.gz KHKFZCUFNFFPLQ-FZMZJTMJSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CC1(C)C)NCc1ccc(F)c(C#N)c1 ZINC001437123649 1179445724 /nfs/dbraw/zinc/44/57/24/1179445724.db2.gz KHKFZCUFNFFPLQ-RISCZKNCSA-N 0 3 303.381 2.338 20 30 DEEDHN Cc1ccoc1CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001437205680 1179576490 /nfs/dbraw/zinc/57/64/90/1179576490.db2.gz YEYCDSNRPCKOPR-GFCCVEGCSA-N 0 3 317.414 2.358 20 30 DEEDHN COc1cccc(CN2CCC[C@@H]2CNC(=O)[C@H](C)C#N)c1C ZINC001437662398 1179881411 /nfs/dbraw/zinc/88/14/11/1179881411.db2.gz SNHAIURTLVSLIW-CZUORRHYSA-N 0 3 315.417 2.244 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438625820 1180688957 /nfs/dbraw/zinc/68/89/57/1180688957.db2.gz ARAJQXXQXYJAOS-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001439197112 1180931127 /nfs/dbraw/zinc/93/11/27/1180931127.db2.gz AKVATOBKIZOUJE-BSLXNSKLSA-N 0 3 303.431 2.260 20 30 DEEDHN CCOCC1(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001439224909 1180949877 /nfs/dbraw/zinc/94/98/77/1180949877.db2.gz XFDDDRBNMMNCEF-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439299272 1181001173 /nfs/dbraw/zinc/00/11/73/1181001173.db2.gz CZBAWYRXAHYSDH-STQMWFEESA-N 0 3 305.447 2.246 20 30 DEEDHN CCC(=O)N1CC[C@@](C)(CNCc2cc(F)ccc2C#N)C1 ZINC001439868940 1181282164 /nfs/dbraw/zinc/28/21/64/1181282164.db2.gz PEQJLNUPXANEJJ-KRWDZBQOSA-N 0 3 303.381 2.436 20 30 DEEDHN CCc1nc(CNC[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001439888445 1181291748 /nfs/dbraw/zinc/29/17/48/1181291748.db2.gz OMHZRACUQFMFCO-LRDDRELGSA-N 0 3 320.462 2.193 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H](C)C2CC2)C1 ZINC001440748529 1181672718 /nfs/dbraw/zinc/67/27/18/1181672718.db2.gz YMOMAFLMPQYASR-ZBOXLXRLSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001440799829 1181699767 /nfs/dbraw/zinc/69/97/67/1181699767.db2.gz ZVFKISOQEIYFNZ-QWHCGFSZSA-N 0 3 320.824 2.492 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1snnc1C ZINC001440867891 1181737374 /nfs/dbraw/zinc/73/73/74/1181737374.db2.gz ZEDPJAAAFUVCPZ-UHFFFAOYSA-N 0 3 316.858 2.287 20 30 DEEDHN Cc1c(C(=O)NC[C@H](C)N(C)Cc2cccc(C#N)c2)ccn1C ZINC001440965661 1181803318 /nfs/dbraw/zinc/80/33/18/1181803318.db2.gz HMLRYSZXCJQAKH-AWEZNQCLSA-N 0 3 324.428 2.456 20 30 DEEDHN CC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001441794154 1182165306 /nfs/dbraw/zinc/16/53/06/1182165306.db2.gz WIILDJZFSYMGND-CHWSQXEVSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@H](F)C(C)C)C1 ZINC001442242925 1182387757 /nfs/dbraw/zinc/38/77/57/1182387757.db2.gz XWLVLSWGXFCTIH-HTAVTVPLSA-N 0 3 321.234 2.468 20 30 DEEDHN CCN(CCNC(=O)c1ccn(C)c1)Cc1cccc(C#N)c1 ZINC001442640916 1182598269 /nfs/dbraw/zinc/59/82/69/1182598269.db2.gz OMAGWEHVFUUERT-UHFFFAOYSA-N 0 3 310.401 2.149 20 30 DEEDHN CC[C@H](F)CN(C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001443309139 1182917797 /nfs/dbraw/zinc/91/77/97/1182917797.db2.gz CJXLZEWFHGIOPK-JSGCOSHPSA-N 0 3 306.385 2.028 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2coc(OC)n2)CCCC1 ZINC001444078079 1183280677 /nfs/dbraw/zinc/28/06/77/1183280677.db2.gz XHZDXJXOFZSXIH-UHFFFAOYSA-N 0 3 313.785 2.068 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cnn(CC)c1)C1CC1 ZINC001444104961 1183287497 /nfs/dbraw/zinc/28/74/97/1183287497.db2.gz KMCCJTZDGDQJGQ-HNNXBMFYSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@H](C)COC)CCCC1 ZINC001444529402 1183434213 /nfs/dbraw/zinc/43/42/13/1183434213.db2.gz XETQKYBWUVJYMU-LBPRGKRZSA-N 0 3 302.846 2.430 20 30 DEEDHN Cc1cnoc1C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001444682289 1183514820 /nfs/dbraw/zinc/51/48/20/1183514820.db2.gz KDNJRQBEDAFQFI-LLVKDONJSA-N 0 3 318.402 2.167 20 30 DEEDHN COc1cccc([C@@H](C)N(C)CCN(C)C(=O)[C@H](C)C#N)c1 ZINC001444956058 1183670121 /nfs/dbraw/zinc/67/01/21/1183670121.db2.gz MVWOCILJNFOITR-ZIAGYGMSSA-N 0 3 303.406 2.306 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC001445448400 1183875406 /nfs/dbraw/zinc/87/54/06/1183875406.db2.gz SEWOYBFGQXIJBT-KGLIPLIRSA-N 0 3 317.433 2.453 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CN(C)CCOC1CCCCCC1 ZINC001445690140 1183983677 /nfs/dbraw/zinc/98/36/77/1183983677.db2.gz RKWMDLZWCQMPOH-CABCVRRESA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001447294110 1184706898 /nfs/dbraw/zinc/70/68/98/1184706898.db2.gz AFWQUXQBAMZVNY-CJNGLKHVSA-N 0 3 303.381 2.456 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(CNCc2ccccn2)CCCCC1 ZINC001448223091 1185120279 /nfs/dbraw/zinc/12/02/79/1185120279.db2.gz PMAPBKTUHVRKJN-AWEZNQCLSA-N 0 3 300.406 2.150 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001448504941 1185262558 /nfs/dbraw/zinc/26/25/58/1185262558.db2.gz RBRNRZCUGWXESW-SRVKXCTJSA-N 0 3 315.255 2.426 20 30 DEEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC/C=C/Cl ZINC001449074923 1185519123 /nfs/dbraw/zinc/51/91/23/1185519123.db2.gz RLBZUHOSMLIPMR-VUUYWXRKSA-N 0 3 306.797 2.079 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@H]1C ZINC001331898151 1149757175 /nfs/dbraw/zinc/75/71/75/1149757175.db2.gz UNSVRXAQIUYVOX-CJNGLKHVSA-N 0 3 302.422 2.220 20 30 DEEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(F)F ZINC001331954266 1149798965 /nfs/dbraw/zinc/79/89/65/1149798965.db2.gz PDXBLYWHQGRFOJ-HIFRSBDPSA-N 0 3 306.356 2.272 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccc(F)cc1C ZINC001492950653 1164559219 /nfs/dbraw/zinc/55/92/19/1164559219.db2.gz ZFGIFXBESIIQEA-UHFFFAOYSA-N 0 3 302.393 2.486 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCc3csc(C)n3)CCC[C@@H]12 ZINC001332109324 1149820428 /nfs/dbraw/zinc/82/04/28/1149820428.db2.gz GBUMUXRHPDAZCK-NVXWUHKLSA-N 0 3 317.458 2.131 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001077516180 782333349 /nfs/dbraw/zinc/33/33/49/782333349.db2.gz GHGOKQBKYMGMMI-HOCLYGCPSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC001072937697 790312094 /nfs/dbraw/zinc/31/20/94/790312094.db2.gz GOHYKONAPXDOTC-UHFFFAOYSA-N 0 3 316.832 2.440 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001072945183 790315568 /nfs/dbraw/zinc/31/55/68/790315568.db2.gz WBNYEUOVPZSKEF-KRWDZBQOSA-N 0 3 316.449 2.020 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@H]1C(F)(F)F ZINC001099243125 782833556 /nfs/dbraw/zinc/83/35/56/782833556.db2.gz AHUXFYQEZYMFKJ-VXGBXAGGSA-N 0 3 315.339 2.112 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001123346591 782954539 /nfs/dbraw/zinc/95/45/39/782954539.db2.gz OHHFCWMWQJWJGD-WBVHZDCISA-N 0 3 311.422 2.012 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](CC)OCC)C[C@@H](C)O2 ZINC001111536395 782964693 /nfs/dbraw/zinc/96/46/93/782964693.db2.gz BWKIUQCROLXMIO-CVEARBPZSA-N 0 3 324.465 2.069 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(CC)n2)CC(C)(C)C1 ZINC001089365486 783039011 /nfs/dbraw/zinc/03/90/11/783039011.db2.gz TYRSGBVCUQNPJR-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(C)(C)CO1)C2 ZINC001095747694 783070298 /nfs/dbraw/zinc/07/02/98/783070298.db2.gz UERWRSDLJKTIFK-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cn(C(C)C)cn2)CC(C)(C)C1 ZINC001089448240 783115017 /nfs/dbraw/zinc/11/50/17/783115017.db2.gz BULARNMBEXHCPT-OAHLLOKOSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(OC)c2)C[C@H]1C ZINC000947518940 783158710 /nfs/dbraw/zinc/15/87/10/783158710.db2.gz AMWDLNLLFOWPAM-GDBMZVCRSA-N 0 3 300.402 2.220 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C[C@@H]1C ZINC000947543221 783168155 /nfs/dbraw/zinc/16/81/55/783168155.db2.gz QQLMBVAMKGAQMH-HOCLYGCPSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)C[C@H]1C ZINC000947546755 783169826 /nfs/dbraw/zinc/16/98/26/783169826.db2.gz KNRRRWZKWLTPQS-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000947572313 783177719 /nfs/dbraw/zinc/17/77/19/783177719.db2.gz MCHNBIBOCAMYLD-NVXWUHKLSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ncoc2C2CC2)CC(C)(C)C1 ZINC001089535709 783187165 /nfs/dbraw/zinc/18/71/65/783187165.db2.gz OXVJBHNLNQIXDN-CQSZACIVSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(CC)on2)CC(C)(C)C1 ZINC001089541954 783192833 /nfs/dbraw/zinc/19/28/33/783192833.db2.gz OSWKROMUOFVMMF-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c[nH]c3cnccc23)C[C@@H]1C ZINC000947654005 783199287 /nfs/dbraw/zinc/19/92/87/783199287.db2.gz WZXNBVKQCXEXPM-HOCLYGCPSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)noc2CC)CC(C)(C)C1 ZINC001089552347 783200935 /nfs/dbraw/zinc/20/09/35/783200935.db2.gz BJXZEEWHUBCHLE-CQSZACIVSA-N 0 3 317.433 2.399 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)cc2Cl)[C@H](O)C1 ZINC001090582873 790371887 /nfs/dbraw/zinc/37/18/87/790371887.db2.gz HTLFELSVLHPUGQ-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001090620926 790404141 /nfs/dbraw/zinc/40/41/41/790404141.db2.gz OKLGZIHCKUDVEY-NEPJUHHUSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(-n4cccn4)c3)C2)C1 ZINC001073058632 790422624 /nfs/dbraw/zinc/42/26/24/790422624.db2.gz ZXQBHXICJUYQMS-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCO[C@@H](CCC)C3)C2)C1 ZINC001073083917 790443325 /nfs/dbraw/zinc/44/33/25/790443325.db2.gz NKHWRDPODNTDON-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc4sccc4[nH]3)C2)C1 ZINC001073103575 790456079 /nfs/dbraw/zinc/45/60/79/790456079.db2.gz ZMAZWQQVZSSLGV-UHFFFAOYSA-N 0 3 313.426 2.401 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(-n4cccc4)ccn3)C2)C1 ZINC001073110831 790461254 /nfs/dbraw/zinc/46/12/54/790461254.db2.gz MFNCDHIJZCUTNV-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)(F)F)[C@H]2C1 ZINC001083196487 776723729 /nfs/dbraw/zinc/72/37/29/776723729.db2.gz UTERVQWNHCGOEJ-HZSPNIEDSA-N 0 3 316.392 2.156 20 30 DEEDHN CN1CC[C@H](Nc2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)C1 ZINC001167272959 776817558 /nfs/dbraw/zinc/81/75/58/776817558.db2.gz KAFCFMNTFUPDBX-STQMWFEESA-N 0 3 316.405 2.146 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)[C@H](C)COC)CC1 ZINC001160314096 790484481 /nfs/dbraw/zinc/48/44/81/790484481.db2.gz GSDFEAYQCKWASE-CVEARBPZSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3ccccc3c2)[C@@H](O)C1 ZINC001090755508 790491403 /nfs/dbraw/zinc/49/14/03/790491403.db2.gz VJPOPLZMJZGESI-MOPGFXCFSA-N 0 3 322.408 2.028 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccn(CC)n2)CC1 ZINC001167385419 776980106 /nfs/dbraw/zinc/98/01/06/776980106.db2.gz CFGQFGSESSFBAA-UHFFFAOYSA-N 0 3 310.829 2.145 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(C)nc(C)n2)CC1 ZINC001167453010 777080637 /nfs/dbraw/zinc/08/06/37/777080637.db2.gz MRMPRKRBJRSQIJ-UHFFFAOYSA-N 0 3 322.840 2.336 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC000971536918 777132865 /nfs/dbraw/zinc/13/28/65/777132865.db2.gz HIBZGOCIESVEIQ-HOCLYGCPSA-N 0 3 318.392 2.096 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1c1ccccc1 ZINC001211516838 777136815 /nfs/dbraw/zinc/13/68/15/777136815.db2.gz IVHHMLFSBHGKII-RBUKOAKNSA-N 0 3 319.408 2.303 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CO[C@H]1CCCC[C@H]1C ZINC001167516076 777286726 /nfs/dbraw/zinc/28/67/26/777286726.db2.gz XHAJDHUUIDUUJS-OCCSQVGLSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN(CCF)CC2)CC1 ZINC001075448426 777332121 /nfs/dbraw/zinc/33/21/21/777332121.db2.gz XPVNPDBMEZPDQK-LSDHHAIUSA-N 0 3 309.429 2.456 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2sccc2C2CC2)[C@H](O)C1 ZINC001090784386 790530791 /nfs/dbraw/zinc/53/07/91/790530791.db2.gz UHFPEVXCRSEKDR-HUUCEWRRSA-N 0 3 320.458 2.367 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1c1ccccc1 ZINC001211592898 777504090 /nfs/dbraw/zinc/50/40/90/777504090.db2.gz GTGLFVVJRHBUSP-ARFHVFGLSA-N 0 3 318.367 2.249 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccc(C)n3)C(C)(C)[C@@H]21 ZINC001087271767 777677910 /nfs/dbraw/zinc/67/79/10/777677910.db2.gz WWPQVERZNIXGBS-DJIMGWMZSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(F)nc1 ZINC001087275847 777692998 /nfs/dbraw/zinc/69/29/98/777692998.db2.gz NLAQMOYMPNWGNA-VNQPRFMTSA-N 0 3 315.392 2.073 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)[C@@H]21 ZINC001087278540 777701750 /nfs/dbraw/zinc/70/17/50/777701750.db2.gz JNZFTDPYPBOBTB-BRWVUGGUSA-N 0 3 324.428 2.128 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC(F)(F)C3)C(C)(C)[C@H]21 ZINC001087279839 777705933 /nfs/dbraw/zinc/70/59/33/777705933.db2.gz FYCULCNDBGIBRJ-MCIONIFRSA-N 0 3 310.388 2.270 20 30 DEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1ccc2[nH]cnc2c1 ZINC001171072428 790558223 /nfs/dbraw/zinc/55/82/23/790558223.db2.gz MOMWGIQISJLAEK-ZDUSSCGKSA-N 0 3 302.378 2.202 20 30 DEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1ccc2nc[nH]c2c1 ZINC001171072428 790558229 /nfs/dbraw/zinc/55/82/29/790558229.db2.gz MOMWGIQISJLAEK-ZDUSSCGKSA-N 0 3 302.378 2.202 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1coc(C)c1 ZINC001087283001 777718582 /nfs/dbraw/zinc/71/85/82/777718582.db2.gz IDNOMRVBNHSHBA-OWCLPIDISA-N 0 3 300.402 2.440 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC1(C)CC1)C[C@H](C)O2 ZINC001098615758 778290467 /nfs/dbraw/zinc/29/04/67/778290467.db2.gz BAQCCFICWRZOPR-HNNXBMFYSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H](C)C2CC2)C[C@H]1C(F)(F)F ZINC001112078078 778327709 /nfs/dbraw/zinc/32/77/09/778327709.db2.gz PXQSJHAWVMOEBM-RAIGVLPGSA-N 0 3 302.340 2.035 20 30 DEEDHN C=CCC[C@@H](C)NCc1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC001105139589 778367258 /nfs/dbraw/zinc/36/72/58/778367258.db2.gz KNANHUAOYLZLST-CQSZACIVSA-N 0 3 319.453 2.152 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001167756153 778420401 /nfs/dbraw/zinc/42/04/01/778420401.db2.gz DEZVDDLJEFZDPL-ARFHVFGLSA-N 0 3 304.821 2.421 20 30 DEEDHN C=CCCCC(=O)N1CC(n2cc(CNCCC(C)C)nn2)C1 ZINC001105317046 778442467 /nfs/dbraw/zinc/44/24/67/778442467.db2.gz FOYQTMVHLAQXHG-UHFFFAOYSA-N 0 3 319.453 2.153 20 30 DEEDHN CC[C@H](C(=O)N1CC[C@H](Nc2cccc(F)c2C#N)C1)N(C)C ZINC001058933015 778766091 /nfs/dbraw/zinc/76/60/91/778766091.db2.gz FVQFHHWECMESEM-BLLLJJGKSA-N 0 3 318.396 2.050 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1c1ccccc1 ZINC001211726361 778776247 /nfs/dbraw/zinc/77/62/47/778776247.db2.gz XDTXQKKFRRONKR-RBUKOAKNSA-N 0 3 321.424 2.165 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001211817613 778881252 /nfs/dbraw/zinc/88/12/52/778881252.db2.gz XXRCGRILCRDCIO-APHBMKBZSA-N 0 3 306.406 2.372 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](n2cc(CNCCCC)nn2)C1 ZINC001098681468 778924579 /nfs/dbraw/zinc/92/45/79/778924579.db2.gz SZEBGQPFTPLKBS-INIZCTEOSA-N 0 3 319.453 2.298 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC001103924951 778957510 /nfs/dbraw/zinc/95/75/10/778957510.db2.gz AADMEWZUMKFBFV-YUELXQCFSA-N 0 3 314.857 2.382 20 30 DEEDHN CCC(=O)N1CCC([C@H]2N(CC#CCOC)CC23CCC3)CC1 ZINC001105383193 779152099 /nfs/dbraw/zinc/15/20/99/779152099.db2.gz VJNAFDAPJQVBPW-GOSISDBHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c[nH]c(CC(C)C)n3)[C@@H]2C1 ZINC001075788845 779243586 /nfs/dbraw/zinc/24/35/86/779243586.db2.gz RLNBRNUKFLUUIX-GOEBONIOSA-N 0 3 316.449 2.331 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1CC ZINC001087619944 779380657 /nfs/dbraw/zinc/38/06/57/779380657.db2.gz KFCCLMZXUYUHSP-JKSUJKDBSA-N 0 3 318.465 2.472 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)[C@H]1CC ZINC001087656998 779398724 /nfs/dbraw/zinc/39/87/24/779398724.db2.gz KZWBKTIYLBQJNP-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2sc(C)nc2C)[C@H]1CC ZINC001087663417 779401672 /nfs/dbraw/zinc/40/16/72/779401672.db2.gz LGCKVVVGRSQLFZ-LSDHHAIUSA-N 0 3 319.474 2.295 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2COc3ccccc32)[C@H]1CC ZINC001087848210 779483871 /nfs/dbraw/zinc/48/38/71/779483871.db2.gz MMAOHRJKSGIMDX-HRCADAONSA-N 0 3 300.402 2.318 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)n(C)n2)[C@H]1CC ZINC001087850156 779484890 /nfs/dbraw/zinc/48/48/90/779484890.db2.gz PROJYZNSORVXBR-GOEBONIOSA-N 0 3 304.438 2.141 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4CC4)C[C@@H]3C2)cc1 ZINC001087859268 779492626 /nfs/dbraw/zinc/49/26/26/779492626.db2.gz RGTJXFMNCCWJCY-MSOLQXFVSA-N 0 3 309.413 2.249 20 30 DEEDHN Cc1cccnc1CN1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087962499 779574667 /nfs/dbraw/zinc/57/46/67/779574667.db2.gz UNHYBGAIWAIMBX-MSOLQXFVSA-N 0 3 323.440 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc4cc(C)ccn34)[C@@H]2C1 ZINC001075830786 779614709 /nfs/dbraw/zinc/61/47/09/779614709.db2.gz RHCVFOVQTYXXSG-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3cccc(C)c3)C[C@@H]2C1 ZINC001088087805 779692771 /nfs/dbraw/zinc/69/27/71/779692771.db2.gz NERNPFXBEDRBKB-MOPGFXCFSA-N 0 3 310.441 2.341 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnn3CC(C)C)[C@@H]2C1 ZINC001075845519 779773093 /nfs/dbraw/zinc/77/30/93/779773093.db2.gz IEZNINPDLLEHJH-DOTOQJQBSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC001088227340 779782578 /nfs/dbraw/zinc/78/25/78/779782578.db2.gz LWVPKYUYVOZPPY-INIZCTEOSA-N 0 3 317.433 2.144 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC001088228692 779784304 /nfs/dbraw/zinc/78/43/04/779784304.db2.gz XYGWRXSWNWFBJD-HNNXBMFYSA-N 0 3 312.429 2.250 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2=CCOCC2)C1 ZINC001088301356 779926033 /nfs/dbraw/zinc/92/60/33/779926033.db2.gz WBCDWVWBOVLNHE-OAHLLOKOSA-N 0 3 312.841 2.446 20 30 DEEDHN Cc1cnc2n1CCC21CCN(Cc2cncc(C#N)c2)CC1 ZINC001144080255 790747149 /nfs/dbraw/zinc/74/71/49/790747149.db2.gz GXUJOKOVSAUWPM-UHFFFAOYSA-N 0 3 307.401 2.396 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](O)C(C)C)C1 ZINC001088307614 779931930 /nfs/dbraw/zinc/93/19/30/779931930.db2.gz ALELILZWXSTACO-ZIAGYGMSSA-N 0 3 302.846 2.117 20 30 DEEDHN O=C(C#CC1CC1)N1CCCCC[C@@H](NCc2ccns2)C1 ZINC001088310670 779934837 /nfs/dbraw/zinc/93/48/37/779934837.db2.gz BBCCIKLHDAYBDJ-OAHLLOKOSA-N 0 3 317.458 2.417 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001073626955 790752437 /nfs/dbraw/zinc/75/24/37/790752437.db2.gz YGJRWTSKTOZEEK-CYBMUJFWSA-N 0 3 317.389 2.158 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCO[C@H](C)C1 ZINC001168128353 780181444 /nfs/dbraw/zinc/18/14/44/780181444.db2.gz PRPZUAKOBJGYHO-IJEWVQPXSA-N 0 3 305.422 2.089 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)CC1(C)CCCC1 ZINC001126647379 780280577 /nfs/dbraw/zinc/28/05/77/780280577.db2.gz XGEGKAFVSRSIKL-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001059747748 780309617 /nfs/dbraw/zinc/30/96/17/780309617.db2.gz PWPOSXRXHPBXCB-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)[C@H]1C ZINC001088605121 780575649 /nfs/dbraw/zinc/57/56/49/780575649.db2.gz HUTSXXQVPUATLE-ILXRZTDVSA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccncc2F)[C@H](OC)C1 ZINC001212064515 780603420 /nfs/dbraw/zinc/60/34/20/780603420.db2.gz YZMVEIGRGQMNBW-APHBMKBZSA-N 0 3 321.396 2.004 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)[C@H]1C ZINC001088761312 780962787 /nfs/dbraw/zinc/96/27/87/780962787.db2.gz DNIDHZVSKGMVDY-RISCZKNCSA-N 0 3 313.405 2.035 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc(F)c(F)cc3F)[C@@H]2C1 ZINC001076290099 781201016 /nfs/dbraw/zinc/20/10/16/781201016.db2.gz CIDFNUGLNXGHQH-MEDUHNTESA-N 0 3 324.346 2.365 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccc(C)cc3)[C@@H]2C1 ZINC001076538382 781302982 /nfs/dbraw/zinc/30/29/82/781302982.db2.gz VVYXGUHAWSUVDD-DOTOQJQBSA-N 0 3 300.402 2.093 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3csc(C4CC4)n3)[C@@H]2C1 ZINC001076632389 781334075 /nfs/dbraw/zinc/33/40/75/781334075.db2.gz ZITBOPAULBALIJ-DZGCQCFKSA-N 0 3 315.442 2.190 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C)CC1 ZINC001076924506 781425395 /nfs/dbraw/zinc/42/53/95/781425395.db2.gz QBFIPWHWYUQSPO-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001076924689 781425664 /nfs/dbraw/zinc/42/56/64/781425664.db2.gz ZZQADMJTIFALDG-HNNXBMFYSA-N 0 3 323.481 2.106 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC001126960657 781492371 /nfs/dbraw/zinc/49/23/71/781492371.db2.gz QFBNBQYMSWJGEN-HZPDHXFCSA-N 0 3 303.381 2.292 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(CC(C)C)c2)C[C@@H]1C ZINC000947862263 783248930 /nfs/dbraw/zinc/24/89/30/783248930.db2.gz SDKGFEOCEGCQRP-DOTOQJQBSA-N 0 3 316.449 2.145 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(OC)cccc2OC)C[C@@H]1C ZINC000947970717 783280336 /nfs/dbraw/zinc/28/03/36/783280336.db2.gz AOGGTIFUDIAOEW-UONOGXRCSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C[C@@H]1C ZINC000948016474 783293866 /nfs/dbraw/zinc/29/38/66/783293866.db2.gz PGLRSBMIXZWMMM-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C ZINC000948073386 783311877 /nfs/dbraw/zinc/31/18/77/783311877.db2.gz KATPOFXIDLCUAU-KHQOANHYSA-N 0 3 300.446 2.271 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C[C@H]1C ZINC000948094309 783317837 /nfs/dbraw/zinc/31/78/37/783317837.db2.gz JGRJNPKQTUUZGL-NVXWUHKLSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001089701079 783365101 /nfs/dbraw/zinc/36/51/01/783365101.db2.gz IVSOZSURZDQNPG-FPCVCCKLSA-N 0 3 306.450 2.347 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2sc(C)nc2C)C1 ZINC001073880160 790936806 /nfs/dbraw/zinc/93/68/06/790936806.db2.gz AHKFHOYYSICRTC-AWEZNQCLSA-N 0 3 323.462 2.157 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2scnc2C)CC1 ZINC000948215411 783373886 /nfs/dbraw/zinc/37/38/86/783373886.db2.gz NDYNWZWRHLYLMN-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC001089722775 783386588 /nfs/dbraw/zinc/38/65/88/783386588.db2.gz CXMMOTWEUBPODT-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1nocc1C ZINC001089722274 783387213 /nfs/dbraw/zinc/38/72/13/783387213.db2.gz VKBMRZYOWCRYOI-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccncc2F)CC1 ZINC000948262036 783399482 /nfs/dbraw/zinc/39/94/82/783399482.db2.gz QBGAUFPCQAIKKB-CQSZACIVSA-N 0 3 303.381 2.171 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1ccc(C)c(F)c1 ZINC001127609309 783426834 /nfs/dbraw/zinc/42/68/34/783426834.db2.gz VBRSLEMLFIJTRV-WBVHZDCISA-N 0 3 320.408 2.321 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001212338582 783469305 /nfs/dbraw/zinc/46/93/05/783469305.db2.gz QDGCGAHLULBAFQ-MGPQQGTHSA-N 0 3 300.418 2.152 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C(C)(C)c2cccnc2)CC1 ZINC000948569694 783507055 /nfs/dbraw/zinc/50/70/55/783507055.db2.gz BWPQLXCJLLIBLW-QGZVFWFLSA-N 0 3 313.445 2.305 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccnc(OC)c2)CC1 ZINC000948574294 783509056 /nfs/dbraw/zinc/50/90/56/783509056.db2.gz DIFXMNBCJLFWHF-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(Cl)n(C)n2)CC1 ZINC000948604652 783523195 /nfs/dbraw/zinc/52/31/95/783523195.db2.gz GHXMLMDVZZWFLM-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(C)noc2C2CC2)CC1 ZINC000948625400 783535417 /nfs/dbraw/zinc/53/54/17/783535417.db2.gz OPRWDSNRGSHJCJ-OAHLLOKOSA-N 0 3 315.417 2.420 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(OCC)no2)CC1 ZINC000948625384 783535959 /nfs/dbraw/zinc/53/59/59/783535959.db2.gz OLEQIPDGVYLNOS-CQSZACIVSA-N 0 3 319.405 2.023 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001124483242 783548513 /nfs/dbraw/zinc/54/85/13/783548513.db2.gz LLZAHJXBULETTL-ZDUSSCGKSA-N 0 3 324.396 2.021 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC000966100014 783561796 /nfs/dbraw/zinc/56/17/96/783561796.db2.gz FZGSAVUGZQYDME-YOEHRIQHSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001085209041 783583019 /nfs/dbraw/zinc/58/30/19/783583019.db2.gz UHGVQFQHEZBMFS-ZIAGYGMSSA-N 0 3 313.405 2.165 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CSC(C)C ZINC001154796132 783652883 /nfs/dbraw/zinc/65/28/83/783652883.db2.gz HBCAABRSKKIWPZ-UHFFFAOYSA-N 0 3 309.273 2.133 20 30 DEEDHN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966488470 783672424 /nfs/dbraw/zinc/67/24/24/783672424.db2.gz HQQLGGKZVJAEGZ-ZFWWWQNUSA-N 0 3 321.490 2.436 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncnc1CC ZINC001085425478 783678036 /nfs/dbraw/zinc/67/80/36/783678036.db2.gz PPELXWHGMUMSGL-HUUCEWRRSA-N 0 3 322.840 2.422 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966569502 783698790 /nfs/dbraw/zinc/69/87/90/783698790.db2.gz UNHVIFPDTBIAQO-WFASDCNBSA-N 0 3 321.371 2.483 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966749732 783747702 /nfs/dbraw/zinc/74/77/02/783747702.db2.gz GEOUMWNIWCUFMP-PWSUYJOCSA-N 0 3 310.829 2.252 20 30 DEEDHN CS[C@H](C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154930198 783786213 /nfs/dbraw/zinc/78/62/13/783786213.db2.gz NGPKTYFRSCRWQG-LLVKDONJSA-N 0 3 309.410 2.045 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccsc2COC)C1 ZINC000966915066 783818036 /nfs/dbraw/zinc/81/80/36/783818036.db2.gz PBHAPMBZCFOZSN-UKRRQHHQSA-N 0 3 320.458 2.358 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC000967029204 783860532 /nfs/dbraw/zinc/86/05/32/783860532.db2.gz GCCGQPOAJXOCIH-PBHICJAKSA-N 0 3 316.449 2.163 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC(=C)C ZINC001085601293 783868216 /nfs/dbraw/zinc/86/82/16/783868216.db2.gz SQCJKASECUREHP-ZACQAIPSSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085598023 783872898 /nfs/dbraw/zinc/87/28/98/783872898.db2.gz LJHGCVYGVHZISC-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001085605347 783880085 /nfs/dbraw/zinc/88/00/85/783880085.db2.gz HNNMMFMGNWFEJB-ZDUSSCGKSA-N 0 3 304.438 2.430 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967233937 783909360 /nfs/dbraw/zinc/90/93/60/783909360.db2.gz YPTCLCAAXFXMIY-PBHICJAKSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967251921 783911076 /nfs/dbraw/zinc/91/10/76/783911076.db2.gz COVOOSFNOGJGEX-GUYCJALGSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1COCC2 ZINC001085638566 783925362 /nfs/dbraw/zinc/92/53/62/783925362.db2.gz USJJEAPUOOMXLJ-MRXNPFEDSA-N 0 3 314.429 2.482 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279630 783927303 /nfs/dbraw/zinc/92/73/03/783927303.db2.gz OPBGAHZEEWDBOP-RDJZCZTQSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001085652791 783928130 /nfs/dbraw/zinc/92/81/30/783928130.db2.gz FYIYSNVYAINJMO-CYBMUJFWSA-N 0 3 315.373 2.256 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001085669682 783943752 /nfs/dbraw/zinc/94/37/52/783943752.db2.gz FLBIDDCHGZRLPX-CABCVRRESA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1OCCc2ccccc21 ZINC001085756988 784047969 /nfs/dbraw/zinc/04/79/69/784047969.db2.gz WHZQQZJXRJATMX-SJLPKXTDSA-N 0 3 314.429 2.409 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001085897080 784194990 /nfs/dbraw/zinc/19/49/90/784194990.db2.gz VXKLDARQQXXNPE-HNNXBMFYSA-N 0 3 319.453 2.280 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000968017581 784204220 /nfs/dbraw/zinc/20/42/20/784204220.db2.gz QGPCTTGJSKIDHM-RHSMWYFYSA-N 0 3 317.433 2.035 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c2ccccc2nn1C ZINC001085908639 784204764 /nfs/dbraw/zinc/20/47/64/784204764.db2.gz OJFCGNNILKGYGX-AWEZNQCLSA-N 0 3 312.417 2.296 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000968038458 784211096 /nfs/dbraw/zinc/21/10/96/784211096.db2.gz ZUKGWILJMLORHU-DYVFJYSZSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001085946672 784240598 /nfs/dbraw/zinc/24/05/98/784240598.db2.gz PAWFJHUSUHSGGR-IRXDYDNUSA-N 0 3 313.445 2.295 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)c(OC)c1 ZINC001085955463 784251745 /nfs/dbraw/zinc/25/17/45/784251745.db2.gz AXPSHTRGTZFWOD-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001066377270 784381682 /nfs/dbraw/zinc/38/16/82/784381682.db2.gz WIQMXXXHZHHPQA-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001086128765 784425109 /nfs/dbraw/zinc/42/51/09/784425109.db2.gz KKWUXZSYHDSRRV-CRWXNKLISA-N 0 3 300.830 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968509155 784435465 /nfs/dbraw/zinc/43/54/65/784435465.db2.gz FWZJQKUTMHIVKP-CXAGYDPISA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ncc3ccccn32)C1 ZINC001086148194 784440874 /nfs/dbraw/zinc/44/08/74/784440874.db2.gz XCILGJOKROPHRB-BETUJISGSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001086149581 784443156 /nfs/dbraw/zinc/44/31/56/784443156.db2.gz PUEJTWHKNCUGHH-OTVXOJSOSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001086150480 784444589 /nfs/dbraw/zinc/44/45/89/784444589.db2.gz KHBBGGHYUZQHBF-SBJFKYEJSA-N 0 3 312.841 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(CC(C)C)CCCC2)[C@@H](O)C1 ZINC001100036199 784444659 /nfs/dbraw/zinc/44/46/59/784444659.db2.gz BKQZKEUOZXBERS-SJORKVTESA-N 0 3 320.477 2.168 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000968550746 784460850 /nfs/dbraw/zinc/46/08/50/784460850.db2.gz NMHKEINASUPEME-GFCCVEGCSA-N 0 3 314.414 2.261 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001086201297 784483231 /nfs/dbraw/zinc/48/32/31/784483231.db2.gz SMQRKGSCZULXOS-TXEJJXNPSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2coc(C3CC3)n2)C1 ZINC001086218717 784498864 /nfs/dbraw/zinc/49/88/64/784498864.db2.gz TZEJBPUHESVNPZ-KLPPZKSPSA-N 0 3 309.797 2.403 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968610591 784499543 /nfs/dbraw/zinc/49/95/43/784499543.db2.gz RBSPJYRGBCGLMA-XJKSGUPXSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cncnc2C(C)C)C1 ZINC000968660748 784527068 /nfs/dbraw/zinc/52/70/68/784527068.db2.gz NOOGHQHCMGZZGW-HOCLYGCPSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968664637 784528131 /nfs/dbraw/zinc/52/81/31/784528131.db2.gz HXHYWZNVIKZZRY-FUHWJXTLSA-N 0 3 323.440 2.491 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2csc(COC)n2)C1 ZINC000968694817 784542163 /nfs/dbraw/zinc/54/21/63/784542163.db2.gz AZVMVQNVJDZCER-STQMWFEESA-N 0 3 323.462 2.306 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001086295375 784553876 /nfs/dbraw/zinc/55/38/76/784553876.db2.gz MNWVLHKNMGBWQT-VGDYDELISA-N 0 3 301.228 2.035 20 30 DEEDHN COc1ccc(CN[C@@H]2CCN(C(=O)C3(C)CC3)C2)cc1C#N ZINC000968755021 784574440 /nfs/dbraw/zinc/57/44/40/784574440.db2.gz FLSXLIQREZREEW-OAHLLOKOSA-N 0 3 313.401 2.057 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ncoc1CC ZINC000968793621 784594149 /nfs/dbraw/zinc/59/41/49/784594149.db2.gz JGEAKMPYBZYRQN-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001086356757 784615469 /nfs/dbraw/zinc/61/54/69/784615469.db2.gz ZTZDDMYIZVXUJB-DUPPUEJBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC000968856833 784621137 /nfs/dbraw/zinc/62/11/37/784621137.db2.gz PEKRKIGUQFXLFQ-OAHLLOKOSA-N 0 3 304.438 2.279 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ocnc2C(F)F)C1 ZINC001091232872 791042715 /nfs/dbraw/zinc/04/27/15/791042715.db2.gz ZLYHFWBLIQKMCU-UHFFFAOYSA-N 0 3 319.739 2.463 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC000968922837 784651851 /nfs/dbraw/zinc/65/18/51/784651851.db2.gz GTCITRVUCKHSHN-OAHLLOKOSA-N 0 3 324.428 2.181 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000968928344 784654152 /nfs/dbraw/zinc/65/41/52/784654152.db2.gz IQZSYOQFRCGXHK-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC000968962918 784670375 /nfs/dbraw/zinc/67/03/75/784670375.db2.gz SNSBLOSYUUQTJW-ZACQAIPSSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnc3ccccn23)C1 ZINC001086410754 784691157 /nfs/dbraw/zinc/69/11/57/784691157.db2.gz HKBFYLHYCIRGML-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001086495545 784791729 /nfs/dbraw/zinc/79/17/29/784791729.db2.gz 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/nfs/dbraw/zinc/94/26/51/784942651.db2.gz WJXPBDOBSZRKPA-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001007649945 784970663 /nfs/dbraw/zinc/97/06/63/784970663.db2.gz MDQIFWQRUWGGJF-NSHDSACASA-N 0 3 310.348 2.185 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001007697727 784978458 /nfs/dbraw/zinc/97/84/58/784978458.db2.gz WWFDGIVHIVVUHE-AWEZNQCLSA-N 0 3 302.422 2.118 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2CCC)[C@@H](O)C1 ZINC001090419076 785016376 /nfs/dbraw/zinc/01/63/76/785016376.db2.gz DFGCMIKABKGZSF-ROUUACIJSA-N 0 3 316.445 2.380 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(COC)c2)C1 ZINC001007818982 785016417 /nfs/dbraw/zinc/01/64/17/785016417.db2.gz USDMPBUKGYNOPN-QGZVFWFLSA-N 0 3 300.402 2.051 20 30 DEEDHN C[C@@H](N)c1ccn(-c2nc3cc(C#N)c(C#N)cc3nc2Cl)n1 ZINC001169231515 785097831 /nfs/dbraw/zinc/09/78/31/785097831.db2.gz LJEWOPYLXRRIBC-MRVPVSSYSA-N 0 3 323.747 2.232 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2-n2cccn2)C1 ZINC001008655872 785262080 /nfs/dbraw/zinc/26/20/80/785262080.db2.gz BLGXEKJAWACQGB-MRXNPFEDSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001074172723 791097614 /nfs/dbraw/zinc/09/76/14/791097614.db2.gz VIYRSQFBQGAAAC-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001009169507 785401029 /nfs/dbraw/zinc/40/10/29/785401029.db2.gz PGCOJTMDYSVEME-ROUUACIJSA-N 0 3 319.493 2.245 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001009308825 785426088 /nfs/dbraw/zinc/42/60/88/785426088.db2.gz PYVKSZQDNDVFRN-MRXNPFEDSA-N 0 3 309.413 2.314 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/c1ccco1)C2 ZINC001108881356 785589738 /nfs/dbraw/zinc/58/97/38/785589738.db2.gz RLQVGJNHIZJESM-WYYKJYLUSA-N 0 3 316.401 2.217 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001109113131 785706501 /nfs/dbraw/zinc/70/65/01/785706501.db2.gz CGOZXVOKVGYCGZ-ZMSHIADSSA-N 0 3 318.461 2.347 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001109171641 785732557 /nfs/dbraw/zinc/73/25/57/785732557.db2.gz YEMVDGQXVYIIAQ-OWSLCNJRSA-N 0 3 318.461 2.471 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CC(C)(C)CO1 ZINC001109250942 785782411 /nfs/dbraw/zinc/78/24/11/785782411.db2.gz WPAYICDADNUMJY-NCOADZHNSA-N 0 3 318.461 2.182 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)OCC ZINC001109361472 785821027 /nfs/dbraw/zinc/82/10/27/785821027.db2.gz XRWSRKDLDQPLDT-UGUYLWEFSA-N 0 3 312.429 2.439 20 30 DEEDHN Cc1ccc(CCN2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001010634640 785880201 /nfs/dbraw/zinc/88/02/01/785880201.db2.gz CNTPYXOCVGLZLN-QGZVFWFLSA-N 0 3 322.412 2.242 20 30 DEEDHN CN(CCCNc1cccc(F)c1C#N)C(=O)CN1CCCC1 ZINC001109454620 785885653 /nfs/dbraw/zinc/88/56/53/785885653.db2.gz JINQAMMOWQEYCJ-UHFFFAOYSA-N 0 3 318.396 2.054 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cccc(F)c1F ZINC001115350196 785999570 /nfs/dbraw/zinc/99/95/70/785999570.db2.gz PAQUORISUCPWIU-LAQFHYBYSA-N 0 3 306.356 2.130 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CCCc3cn[nH]c32)CC1 ZINC001112855325 786256903 /nfs/dbraw/zinc/25/69/03/786256903.db2.gz RJFMPKNZJMQOIC-HOCLYGCPSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cnccc2OC)CC1 ZINC001113005313 786362299 /nfs/dbraw/zinc/36/22/99/786362299.db2.gz JAFFAEXVQVYFPA-HNNXBMFYSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001086578264 786403095 /nfs/dbraw/zinc/40/30/95/786403095.db2.gz DQXLNWQLRRUKQB-FGTMMUONSA-N 0 3 314.429 2.183 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001014748472 786735276 /nfs/dbraw/zinc/73/52/76/786735276.db2.gz ZPAWQPJWQQZUMF-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001014759311 786739849 /nfs/dbraw/zinc/73/98/49/786739849.db2.gz GGLANSOFSAHPBV-ZDUSSCGKSA-N 0 3 318.446 2.475 20 30 DEEDHN CC[C@H]1C[C@@H](N2CCN(c3cc(C#N)ccn3)CC2)CCO1 ZINC001170227071 786872851 /nfs/dbraw/zinc/87/28/51/786872851.db2.gz MCKLJVROWQZXOS-HOTGVXAUSA-N 0 3 300.406 2.033 20 30 DEEDHN CN1CC(CNc2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)C1 ZINC001170252904 786889438 /nfs/dbraw/zinc/88/94/38/786889438.db2.gz SVKUVLSPRXHTFY-CYBMUJFWSA-N 0 3 316.405 2.004 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2COc3ccc(Cl)cc32)C1 ZINC001015271741 786969703 /nfs/dbraw/zinc/96/97/03/786969703.db2.gz IXNZJKCAOOLXBB-HIFRSBDPSA-N 0 3 318.804 2.030 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC001015599894 787133259 /nfs/dbraw/zinc/13/32/59/787133259.db2.gz WZTRTCNKYKQGKT-AWEZNQCLSA-N 0 3 314.389 2.060 20 30 DEEDHN CC(C)CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)(C)C ZINC001114245736 787181513 /nfs/dbraw/zinc/18/15/13/787181513.db2.gz NDBARDUUCOUXIH-VQFNDLOPSA-N 0 3 320.477 2.145 20 30 DEEDHN Cc1cc(F)ccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)C ZINC001114247468 787182618 /nfs/dbraw/zinc/18/26/18/787182618.db2.gz LIWFIWOHLHKILR-DZFIZOCASA-N 0 3 314.404 2.340 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001015721667 787197803 /nfs/dbraw/zinc/19/78/03/787197803.db2.gz MNADLXVEWRAVSW-KURKYZTESA-N 0 3 314.429 2.277 20 30 DEEDHN CCCCCCCCOCC(=O)NCCNCc1ccnn1C ZINC001129522669 787224241 /nfs/dbraw/zinc/22/42/41/787224241.db2.gz HXLPXDRQWAOTAO-UHFFFAOYSA-N 0 3 324.469 2.003 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC2CC(F)(F)C2)s1 ZINC001130430459 787391808 /nfs/dbraw/zinc/39/18/08/787391808.db2.gz ZWBHQRRXDGAKSZ-UHFFFAOYSA-N 0 3 313.373 2.261 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC001130521494 787418815 /nfs/dbraw/zinc/41/88/15/787418815.db2.gz QKOXDCOMOCBBHT-BMFZPTHFSA-N 0 3 315.392 2.339 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cccnc2C2CC2)c1 ZINC001130825346 787481195 /nfs/dbraw/zinc/48/11/95/787481195.db2.gz HKKATPIQYJGYGT-UHFFFAOYSA-N 0 3 320.396 2.350 20 30 DEEDHN Cn1cc(Cl)cc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001131075455 787541576 /nfs/dbraw/zinc/54/15/76/787541576.db2.gz IDOWWXMWNOSFCO-UHFFFAOYSA-N 0 3 322.821 2.131 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)C2 ZINC001096180593 787563116 /nfs/dbraw/zinc/56/31/16/787563116.db2.gz HWVHCWJSRJYYHE-MWNCTCPHSA-N 0 3 316.449 2.428 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)C2 ZINC001096180576 787563966 /nfs/dbraw/zinc/56/39/66/787563966.db2.gz HWVHCWJSRJYYHE-FWYOQMDTSA-N 0 3 316.449 2.428 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC)c[nH]c1=O)C2 ZINC001096260123 787599187 /nfs/dbraw/zinc/59/91/87/787599187.db2.gz CHMHYMLWVLWDFC-KBMXLJTQSA-N 0 3 315.417 2.261 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCOC(C)C)C[C@@H](C)O2 ZINC001131629895 787667530 /nfs/dbraw/zinc/66/75/30/787667530.db2.gz ZAJXFUFKLQKIEC-SJLPKXTDSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncnc1C1CC1)C2 ZINC001096460828 787676940 /nfs/dbraw/zinc/67/69/40/787676940.db2.gz DCXYECABRMCPJG-KBMXLJTQSA-N 0 3 312.417 2.265 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C/C=C(\C)C=C)C[C@@H](C)O2 ZINC001131678247 787689267 /nfs/dbraw/zinc/68/92/67/787689267.db2.gz WEZDFBHIUOJENP-GMEDAKJSSA-N 0 3 316.445 2.224 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(CCCOC(C)C)C1 ZINC001132021859 787882496 /nfs/dbraw/zinc/88/24/96/787882496.db2.gz QMRMWEDWSSQIOJ-IRXDYDNUSA-N 0 3 308.466 2.430 20 30 DEEDHN CC1(C(=O)NCCNCc2ccc(C#N)c(F)c2)CCCC1 ZINC001132007498 787888526 /nfs/dbraw/zinc/88/85/26/787888526.db2.gz GMNGTKXKAHPNIR-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C[C@H]1CC[C@H](NC(=O)C#CC2CC2)CN1CC1CC(F)(F)C1 ZINC001132047057 787911279 /nfs/dbraw/zinc/91/12/79/787911279.db2.gz SYDKEIWVJBLFNR-WFASDCNBSA-N 0 3 310.388 2.414 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132201157 787971862 /nfs/dbraw/zinc/97/18/62/787971862.db2.gz XHVBQCCTFZBQMM-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132227418 787981169 /nfs/dbraw/zinc/98/11/69/787981169.db2.gz DANTXCZLRVYYJZ-LSDHHAIUSA-N 0 3 304.438 2.064 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C ZINC001132238210 787989954 /nfs/dbraw/zinc/98/99/54/787989954.db2.gz PRVAPBOWXJKUPT-SIRPWMCASA-N 0 3 306.450 2.204 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC)c1ccccc1 ZINC001111443417 787992445 /nfs/dbraw/zinc/99/24/45/787992445.db2.gz KEMGBXWOBGLHMI-XDNAFOTISA-N 0 3 314.429 2.324 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccn(C)c2C)CC[C@H]1C ZINC001132268932 787997642 /nfs/dbraw/zinc/99/76/42/787997642.db2.gz DGOGKPUBORJLOV-ZBFHGGJFSA-N 0 3 319.449 2.119 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001132308888 788021438 /nfs/dbraw/zinc/02/14/38/788021438.db2.gz VXPBHJMVJPGYEP-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cnon2)CC[C@H]1C ZINC001132368691 788045401 /nfs/dbraw/zinc/04/54/01/788045401.db2.gz PNIGIBJMXKCIAM-KGLIPLIRSA-N 0 3 306.410 2.399 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc(C3CC3)cn1)C2 ZINC001097376070 788077550 /nfs/dbraw/zinc/07/75/50/788077550.db2.gz FNUSHPOZYWQQHK-ZACQAIPSSA-N 0 3 314.433 2.058 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3nccc13)C2 ZINC001097431471 788102409 /nfs/dbraw/zinc/10/24/09/788102409.db2.gz KKYMVLVVEAQKQE-UNEWFSDZSA-N 0 3 310.401 2.246 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCn2cc(C)cn2)CC[C@@H]1C ZINC001132518399 788106558 /nfs/dbraw/zinc/10/65/58/788106558.db2.gz KRCDWSOMMZPKFV-HOTGVXAUSA-N 0 3 304.438 2.127 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132569544 788133311 /nfs/dbraw/zinc/13/33/11/788133311.db2.gz UGXPSIMOGNLBNB-UONOGXRCSA-N 0 3 315.417 2.231 20 30 DEEDHN CCC1(C(=O)NCCNCc2ccc(OC)c(C#N)c2)CCC1 ZINC001132577586 788136248 /nfs/dbraw/zinc/13/62/48/788136248.db2.gz WJSCHIBRFTZYJS-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001132667566 788159491 /nfs/dbraw/zinc/15/94/91/788159491.db2.gz NZYOLRJUYBWWAF-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001097737177 788206162 /nfs/dbraw/zinc/20/61/62/788206162.db2.gz KTKSEHBITVVYLL-VQHPVUNQSA-N 0 3 311.429 2.409 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2nc(Cl)cs2)cc1 ZINC001132873091 788215462 /nfs/dbraw/zinc/21/54/62/788215462.db2.gz XEMXZFRHMIMIRJ-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc[nH]c2C2CC2)cc1 ZINC001132971515 788240230 /nfs/dbraw/zinc/24/02/30/788240230.db2.gz DOEZMNPOXHLZOJ-UHFFFAOYSA-N 0 3 308.385 2.283 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(F)c1F)C2 ZINC001097937955 788284994 /nfs/dbraw/zinc/28/49/94/788284994.db2.gz SAMOCZRFPQVQOE-BMFZPTHFSA-N 0 3 318.367 2.252 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2Cc3ccccc32)cc1 ZINC001133124720 788288397 /nfs/dbraw/zinc/28/83/97/788288397.db2.gz GDQZJGBJQCNOFU-SFHVURJKSA-N 0 3 305.381 2.104 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)NCCC1CCCCC1 ZINC001133154436 788296906 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C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1)NCc1nccs1 ZINC001134140128 788780346 /nfs/dbraw/zinc/78/03/46/788780346.db2.gz ZGGBMBZANAJQIE-GHMZBOCLSA-N 0 3 317.418 2.030 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1csnc1OC ZINC001134206654 788802717 /nfs/dbraw/zinc/80/27/17/788802717.db2.gz XUOQZOXUKYPRSS-OLZOCXBDSA-N 0 3 323.462 2.328 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nccn1CC ZINC001134200674 788808857 /nfs/dbraw/zinc/80/88/57/788808857.db2.gz HKKGXFDBOOKIII-LSDHHAIUSA-N 0 3 304.438 2.079 20 30 DEEDHN COc1cc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)on1 ZINC001134329215 788875836 /nfs/dbraw/zinc/87/58/36/788875836.db2.gz LLGKYZJRAQMVKX-CHWSQXEVSA-N 0 3 321.421 2.106 20 30 DEEDHN CCn1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)n1 ZINC001134330337 788876748 /nfs/dbraw/zinc/87/67/48/788876748.db2.gz YLXYLELMECHBDL-HUUCEWRRSA-N 0 3 318.465 2.325 20 30 DEEDHN Cc1sccc1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001134841317 789114258 /nfs/dbraw/zinc/11/42/58/789114258.db2.gz BAFNLGZNSLQXIC-UHFFFAOYSA-N 0 3 313.426 2.377 20 30 DEEDHN CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001134880288 789121557 /nfs/dbraw/zinc/12/15/57/789121557.db2.gz MMBCYUITPNIXTL-MNOVXSKESA-N 0 3 322.840 2.450 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCc1ccc(C)c(F)c1 ZINC001135142472 789214561 /nfs/dbraw/zinc/21/45/61/789214561.db2.gz WITIMRFFFVRAGG-RDJZCZTQSA-N 0 3 320.408 2.321 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccn(CC)n1 ZINC001135236764 789254508 /nfs/dbraw/zinc/25/45/08/789254508.db2.gz WJPNMEMXPQRCHF-KBPBESRZSA-N 0 3 306.454 2.488 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)ncn1 ZINC001135235781 789254912 /nfs/dbraw/zinc/25/49/12/789254912.db2.gz MYHXMCDRTGYRFX-TZMCWYRMSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(CC)(CC)CC)C[C@@H]1n1ccnn1 ZINC001070303236 789278514 /nfs/dbraw/zinc/27/85/14/789278514.db2.gz RMMUFJAESJYIGH-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN COCC#CCNCCNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001135405350 789322060 /nfs/dbraw/zinc/32/20/60/789322060.db2.gz HKUCSDLAAMQLGE-CVEARBPZSA-N 0 3 308.466 2.195 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001070928703 789483788 /nfs/dbraw/zinc/48/37/88/789483788.db2.gz YEYBWXKMRCWEGI-ARFHVFGLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@](C)(CC)CCC ZINC001135858853 789535640 /nfs/dbraw/zinc/53/56/40/789535640.db2.gz FLXWOWXZIQLJOL-SFHVURJKSA-N 0 3 323.481 2.109 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccc(C)o1)C[C@@H](C)O2 ZINC001071131743 789546477 /nfs/dbraw/zinc/54/64/77/789546477.db2.gz LUCMCQPVZQHRIQ-CRAIPNDOSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1occc1C)C[C@H](C)O2 ZINC001071136328 789549824 /nfs/dbraw/zinc/54/98/24/789549824.db2.gz HZNMCUNYPKSCQM-YJBOKZPZSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1CC=CC1)C[C@H](C)O2 ZINC001071149975 789559511 /nfs/dbraw/zinc/55/95/11/789559511.db2.gz VGVPEFHJGAJCBI-MAUKXSAKSA-N 0 3 304.434 2.221 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C(C)C)CC1)C[C@@H](C)O2 ZINC001071213843 789598733 /nfs/dbraw/zinc/59/87/33/789598733.db2.gz LHARLJLYFNHQCO-SJLPKXTDSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CCN1C[C@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347127 789672949 /nfs/dbraw/zinc/67/29/49/789672949.db2.gz HFIULOLXKIIISA-DGCLKSJQSA-N 0 3 308.451 2.395 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)CC[C@@H]1C ZINC001071579478 789790990 /nfs/dbraw/zinc/79/09/90/789790990.db2.gz FIGHHSKOSBIKLC-ZFWWWQNUSA-N 0 3 304.438 2.060 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(F)cn2)CC[C@H]1C ZINC001071613085 789816127 /nfs/dbraw/zinc/81/61/27/789816127.db2.gz RHXVZEKJTOEUEH-CZUORRHYSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)cc2F)CC[C@@H]1C ZINC001071658295 789845869 /nfs/dbraw/zinc/84/58/69/789845869.db2.gz DJFXNJHHQWRILV-KBPBESRZSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)CC[C@H]1C ZINC001071675153 789856562 /nfs/dbraw/zinc/85/65/62/789856562.db2.gz CHWBSVAJTGWCKL-CZUORRHYSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@@H]1C ZINC001071678907 789859288 /nfs/dbraw/zinc/85/92/88/789859288.db2.gz HSXMEYKXENSBLS-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2sc(C)nc2C)CC[C@H]1C ZINC001071698496 789872897 /nfs/dbraw/zinc/87/28/97/789872897.db2.gz RDVVOMPVZBSJCC-IUODEOHRSA-N 0 3 319.474 2.295 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(C(C)C)cn2)CC[C@H]1C ZINC001071704713 789876595 /nfs/dbraw/zinc/87/65/95/789876595.db2.gz DKHUGWGDSNMVKF-HUUCEWRRSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnc3ccncc32)CC[C@@H]1C ZINC001071705020 789877693 /nfs/dbraw/zinc/87/76/93/789877693.db2.gz JNJAEDBTYIURGT-GJZGRUSLSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cncc(C)c2)CC[C@H]1C ZINC001071708580 789879690 /nfs/dbraw/zinc/87/96/90/789879690.db2.gz JEQJTAYXZOPCDB-NVXWUHKLSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3n[nH]cc32)CC[C@H]1C ZINC001071727632 789892221 /nfs/dbraw/zinc/89/22/21/789892221.db2.gz BAVUZLXTBMRMLJ-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3n2CCCC3)CC[C@@H]1C ZINC001071766112 789909360 /nfs/dbraw/zinc/90/93/60/789909360.db2.gz QHUICOMRQVNNBY-GJZGRUSLSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccncc2Cl)CC[C@H]1C ZINC001071820885 789929176 /nfs/dbraw/zinc/92/91/76/789929176.db2.gz FZADGEUUNVSPBF-UKRRQHHQSA-N 0 3 319.836 2.270 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnnc3ccccc32)CC[C@@H]1C ZINC001071855872 789944227 /nfs/dbraw/zinc/94/42/27/789944227.db2.gz YHNCIEFLSVRQEU-GJZGRUSLSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)CC[C@H]1C ZINC001071859726 789946893 /nfs/dbraw/zinc/94/68/93/789946893.db2.gz CYTDUYKEWOPYQT-ZBFHGGJFSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@@H]1C ZINC001071970176 789993073 /nfs/dbraw/zinc/99/30/73/789993073.db2.gz DDEWFZXAOSODDI-GOEBONIOSA-N 0 3 313.445 2.500 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@H]1C ZINC001071982010 789996856 /nfs/dbraw/zinc/99/68/56/789996856.db2.gz LVCPHZJTCHXBCF-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3n[nH]nc3c2)CC[C@@H]1C ZINC001072065895 790038523 /nfs/dbraw/zinc/03/85/23/790038523.db2.gz HKSRBRUUHDQPAH-GXTWGEPZSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2c(C)n[nH]c2C)CC[C@@H]1C ZINC001072071033 790040876 /nfs/dbraw/zinc/04/08/76/790040876.db2.gz VQVPSJDUUITYTM-SWLSCSKDSA-N 0 3 304.438 2.114 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2csc(CC)n2)CC[C@H]1C ZINC001072099588 790052310 /nfs/dbraw/zinc/05/23/10/790052310.db2.gz TTWIFVDVGIUGTM-OLZOCXBDSA-N 0 3 307.463 2.403 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c[nH]c3ncccc23)CC[C@H]1C ZINC001072109096 790056125 /nfs/dbraw/zinc/05/61/25/790056125.db2.gz BJYFDDJZDMRRTQ-HIFRSBDPSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(C)c2C2CC2)CC[C@H]1C ZINC001072119761 790060007 /nfs/dbraw/zinc/06/00/07/790060007.db2.gz 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ZINC001075172441 791493916 /nfs/dbraw/zinc/49/39/16/791493916.db2.gz QXRMHUALUVTKQN-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccc(Cl)c2occc21 ZINC001147562507 791567527 /nfs/dbraw/zinc/56/75/27/791567527.db2.gz OVIGAHDYGLZMAE-UHFFFAOYSA-N 0 3 320.776 2.055 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1OC)C2 ZINC001098248829 791595875 /nfs/dbraw/zinc/59/58/75/791595875.db2.gz ZUTCTMFZHABVIW-OIISXLGYSA-N 0 3 312.413 2.362 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1OCC)C2 ZINC001098314374 791605570 /nfs/dbraw/zinc/60/55/70/791605570.db2.gz NVPPOOXIUUZNOM-BMFZPTHFSA-N 0 3 315.417 2.392 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3c(cccc3C)n1)C2 ZINC001098353768 791615178 /nfs/dbraw/zinc/61/51/78/791615178.db2.gz YWORDUFFXULLJL-INMHGKMJSA-N 0 3 322.412 2.001 20 30 DEEDHN CCCc1cc(C(=O)NCCNCC#CCOC)ccc1Cl ZINC001147796101 791627693 /nfs/dbraw/zinc/62/76/93/791627693.db2.gz DBVMSBZPTADKIR-UHFFFAOYSA-N 0 3 322.836 2.262 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](OCC)C3CCCC3)C2)C1 ZINC001148005291 791663398 /nfs/dbraw/zinc/66/33/98/791663398.db2.gz SFQSSVSFYNLYTB-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCN(C(=O)CCCC)C2)nn1 ZINC001098619414 791663677 /nfs/dbraw/zinc/66/36/77/791663677.db2.gz ZKSYEUXGXAUGEJ-INIZCTEOSA-N 0 3 319.453 2.298 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001148096235 791679052 /nfs/dbraw/zinc/67/90/52/791679052.db2.gz YGWZVHLMLGWLCN-CVEARBPZSA-N 0 3 320.477 2.406 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@H](CCCC)C(N)=O ZINC001148721474 791793274 /nfs/dbraw/zinc/79/32/74/791793274.db2.gz DMVCCYVAFDPQKQ-OAHLLOKOSA-N 0 3 313.486 2.487 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001148727817 791794008 /nfs/dbraw/zinc/79/40/08/791794008.db2.gz MNUUPOGDIYVRKA-AWEZNQCLSA-N 0 3 311.470 2.110 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccncc3)C2)CC1 ZINC001086898605 791841298 /nfs/dbraw/zinc/84/12/98/791841298.db2.gz MKWYSUGHEZXMFQ-INIZCTEOSA-N 0 3 311.429 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/nfs/dbraw/zinc/97/55/06/791975506.db2.gz MPFVJCBPNVNJHI-FCJNSDPXSA-N 0 3 302.462 2.472 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nncc3ccccc32)C1 ZINC001098939082 791991125 /nfs/dbraw/zinc/99/11/25/791991125.db2.gz MGFOJIUNRKAIKL-KXBFYZLASA-N 0 3 322.412 2.400 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001098943407 791993283 /nfs/dbraw/zinc/99/32/83/791993283.db2.gz JJCBEALDGJKJLQ-ZBEGNZNMSA-N 0 3 324.375 2.128 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOC1CCC1 ZINC001098982159 792014153 /nfs/dbraw/zinc/01/41/53/792014153.db2.gz IVVMBWFHIRHBFI-GJZGRUSLSA-N 0 3 321.465 2.322 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncc3ccccc32)C1 ZINC001099083875 792083519 /nfs/dbraw/zinc/08/35/19/792083519.db2.gz YVWSYVMSUVNBAW-LPHOPBHVSA-N 0 3 324.428 2.193 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC001092805690 792132587 /nfs/dbraw/zinc/13/25/87/792132587.db2.gz KFNQTDKYCHRHRU-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C(F)(F)F ZINC001099233956 792146436 /nfs/dbraw/zinc/14/64/36/792146436.db2.gz QNXWSFCLJTZMKL-VXGBXAGGSA-N 0 3 301.312 2.102 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ncccn1 ZINC001099276526 792157978 /nfs/dbraw/zinc/15/79/78/792157978.db2.gz SSYGLLXJGIFSMZ-HNNXBMFYSA-N 0 3 316.449 2.202 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C(F)(F)F ZINC001099295379 792163614 /nfs/dbraw/zinc/16/36/14/792163614.db2.gz XCHCEZFWELTCCD-KSSYENDESA-N 0 3 302.340 2.197 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](O)C1 ZINC001100064808 792461666 /nfs/dbraw/zinc/46/16/66/792461666.db2.gz RMNMPADEHKOEBI-VXGBXAGGSA-N 0 3 322.371 2.093 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCCC)C[C@H]1c1ccc(OC)cc1 ZINC001100152051 792488600 /nfs/dbraw/zinc/48/86/00/792488600.db2.gz XUHSFRKUZJDETE-ZWKOTPCHSA-N 0 3 314.429 2.403 20 30 DEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCNc1cccc(F)c1C#N ZINC001093668809 792523017 /nfs/dbraw/zinc/52/30/17/792523017.db2.gz 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ZQYMPUDGRCQKDC-PREGVCBESA-N 0 3 320.383 2.410 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnc(C4CC4)o3)CCC[C@@H]12 ZINC001094436285 792917634 /nfs/dbraw/zinc/91/76/34/792917634.db2.gz ILCSRLXZCJSWMZ-CRAIPNDOSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3nccc4occc43)CCC[C@@H]12 ZINC001094474461 792946098 /nfs/dbraw/zinc/94/60/98/792946098.db2.gz AWVIQKZETICJKC-VQIMIIECSA-N 0 3 323.396 2.435 20 30 DEEDHN O=C(Cc1ccc[nH]1)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001101009000 792964111 /nfs/dbraw/zinc/96/41/11/792964111.db2.gz CKZFFVSRDYDINF-UHFFFAOYSA-N 0 3 321.424 2.093 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H](F)CC)c2)C1 ZINC001101095229 793015099 /nfs/dbraw/zinc/01/50/99/793015099.db2.gz DWCLOLRCMLDAGE-CVEARBPZSA-N 0 3 321.396 2.085 20 30 DEEDHN CCc1nocc1CN1C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C1 ZINC001101946743 793453834 /nfs/dbraw/zinc/45/38/34/793453834.db2.gz IPJPSFGVJMLOSG-HUUCEWRRSA-N 0 3 317.433 2.081 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102004716 793474919 /nfs/dbraw/zinc/47/49/19/793474919.db2.gz AEISLORJHVXHLZ-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)CCCF ZINC001102239595 793541640 /nfs/dbraw/zinc/54/16/40/793541640.db2.gz FXQKTDBRKQRZTB-SJLPKXTDSA-N 0 3 316.420 2.472 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN([C@H]2CCc3ncsc3C2)C1 ZINC001173148161 793606362 /nfs/dbraw/zinc/60/63/62/793606362.db2.gz SOCLNHCBSXNRIO-STQMWFEESA-N 0 3 321.446 2.377 20 30 DEEDHN CCC(C)(CC)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102587266 793665910 /nfs/dbraw/zinc/66/59/10/793665910.db2.gz KPMZFZVLEDNNCU-HZPDHXFCSA-N 0 3 308.466 2.147 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)COCC2CC2)C1 ZINC001102701317 793717769 /nfs/dbraw/zinc/71/77/69/793717769.db2.gz XXEKOLCGICNZOX-IUODEOHRSA-N 0 3 314.857 2.240 20 30 DEEDHN CC[C@@H](CC#N)NC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424759 793726166 /nfs/dbraw/zinc/72/61/66/793726166.db2.gz KHKPZURGOKWDAY-INIZCTEOSA-N 0 3 310.401 2.445 20 30 DEEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001173930087 793871806 /nfs/dbraw/zinc/87/18/06/793871806.db2.gz PVSDPWGAWGHKAE-UHFFFAOYSA-N 0 3 317.356 2.278 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)c1 ZINC001095283867 793919017 /nfs/dbraw/zinc/91/90/17/793919017.db2.gz XFVNBZCUOAHFHR-RYRKJORJSA-N 0 3 320.396 2.422 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)OCCc1ccccc1 ZINC001174951388 794109821 /nfs/dbraw/zinc/10/98/21/794109821.db2.gz WESGTQRCAPEJBH-OAHLLOKOSA-N 0 3 324.852 2.483 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001104043502 794356278 /nfs/dbraw/zinc/35/62/78/794356278.db2.gz VEXVDGXMAKDMIE-BXUZGUMPSA-N 0 3 320.824 2.327 20 30 DEEDHN Cc1ncoc1CNCC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001104165253 794405294 /nfs/dbraw/zinc/40/52/94/794405294.db2.gz RVQKRKSOWIBWDD-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccco2)C1 ZINC001111586666 794437245 /nfs/dbraw/zinc/43/72/45/794437245.db2.gz HJKBYNSYXFBTIJ-YJBOKZPZSA-N 0 3 300.402 2.206 20 30 DEEDHN CCCCOCCN1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)C)C1 ZINC001111738905 794464466 /nfs/dbraw/zinc/46/44/66/794464466.db2.gz PBXAXQCKFBRWOJ-HKUYNNGSSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(F)(F)C(F)F)C1 ZINC001111871731 794508031 /nfs/dbraw/zinc/50/80/31/794508031.db2.gz IAZJIOZOBSGSEX-FZMZJTMJSA-N 0 3 320.330 2.271 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1C(F)(F)F ZINC001112077846 794555569 /nfs/dbraw/zinc/55/55/69/794555569.db2.gz JXVZMSZJOROGEQ-WNIKWDQDSA-N 0 3 320.355 2.134 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCC#C)C1 ZINC001112086562 794558366 /nfs/dbraw/zinc/55/83/66/794558366.db2.gz HAQLUISMZDVDKX-ZIAGYGMSSA-N 0 3 314.351 2.182 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)c1c(C)noc1C ZINC001114976130 794644611 /nfs/dbraw/zinc/64/46/11/794644611.db2.gz SZTMOQKBVWIIMK-NYTXWWLZSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)c1ccccc1OC ZINC001115138407 794687389 /nfs/dbraw/zinc/68/73/89/794687389.db2.gz SRQGEYSBMJIZOK-HWLIBYHHSA-N 0 3 314.429 2.421 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccnn2C)CCCCC1 ZINC001115440257 794772752 /nfs/dbraw/zinc/77/27/52/794772752.db2.gz KUHINWGPOKXIPE-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178178257 794853155 /nfs/dbraw/zinc/85/31/55/794853155.db2.gz FFSNNZFPIUGLNU-BQFCYCMXSA-N 0 3 314.429 2.042 20 30 DEEDHN CO[C@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178296224 794886930 /nfs/dbraw/zinc/88/69/30/794886930.db2.gz CGLMWFIFSRYIAI-XUJVJEKNSA-N 0 3 321.446 2.124 20 30 DEEDHN CCCCCCN(C)CC(=O)NCC1(NCC#N)CCCCC1 ZINC001115776686 794916732 /nfs/dbraw/zinc/91/67/32/794916732.db2.gz ZOWBNRQVRZCVIN-UHFFFAOYSA-N 0 3 322.497 2.431 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cccc(Cl)c2F)CC1 ZINC001116146712 794940617 /nfs/dbraw/zinc/94/06/17/794940617.db2.gz CPNDTYFZJVKHHC-UHFFFAOYSA-N 0 3 308.784 2.441 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001178503941 794946717 /nfs/dbraw/zinc/94/67/17/794946717.db2.gz YOJJTDBYUUUSDR-YOEHRIQHSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC001116369725 794952843 /nfs/dbraw/zinc/95/28/43/794952843.db2.gz SDLORHZAMJZMBP-UHFFFAOYSA-N 0 3 304.346 2.327 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCC(=O)N[C@@H](C)C(C)C)[C@@H]1C ZINC001178806213 795000066 /nfs/dbraw/zinc/00/00/66/795000066.db2.gz WZUXTZHPCRNSDS-JYJNAYRXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1nccn1C ZINC001179234978 795082061 /nfs/dbraw/zinc/08/20/61/795082061.db2.gz DYKMVIIXSOBJKV-UHFFFAOYSA-N 0 3 306.454 2.399 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001179364322 795106178 /nfs/dbraw/zinc/10/61/78/795106178.db2.gz IKGSUJAMBVAVKR-DZKIICNBSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCC(=O)NCCCC)[C@@H]1C ZINC001179384209 795110613 /nfs/dbraw/zinc/11/06/13/795110613.db2.gz GTMFTGLXTUQXMM-JYJNAYRXSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCCC)[C@@H]1C ZINC001179452174 795117450 /nfs/dbraw/zinc/11/74/50/795117450.db2.gz OGVGWVWMUWFEGJ-JYJNAYRXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001180268434 795267942 /nfs/dbraw/zinc/26/79/42/795267942.db2.gz AYEPQFXFCLPHBZ-IHRRRGAJSA-N 0 3 323.462 2.122 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001180269829 795268039 /nfs/dbraw/zinc/26/80/39/795268039.db2.gz ZEXDZKDNJKFUER-JYJNAYRXSA-N 0 3 317.433 2.060 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC001119320923 795287221 /nfs/dbraw/zinc/28/72/21/795287221.db2.gz VAIVTELXGVAIAR-QMMMGPOBSA-N 0 3 323.706 2.058 20 30 DEEDHN C=CC[C@H]1NC(=O)N(C[C@H](c2ccc(CC)cc2)N(C)C)C1=O ZINC001119626058 795332104 /nfs/dbraw/zinc/33/21/04/795332104.db2.gz ZVSBCXPGFINIJY-HZPDHXFCSA-N 0 3 315.417 2.348 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2CCC(O)(C(F)F)CC2)cc1 ZINC001119749240 795349377 /nfs/dbraw/zinc/34/93/77/795349377.db2.gz NFQODIZMXAIRQS-UHFFFAOYSA-N 0 3 322.355 2.089 20 30 DEEDHN C=CCOc1c(Cl)cc(CNC[C@H](O)COC)cc1OC ZINC001120043064 795396935 /nfs/dbraw/zinc/39/69/35/795396935.db2.gz FZMOLNZTPBNBLQ-LBPRGKRZSA-N 0 3 315.797 2.010 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001120547262 795481632 /nfs/dbraw/zinc/48/16/32/795481632.db2.gz XOZCTKOYSFHZHP-MRXNPFEDSA-N 0 3 315.417 2.335 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cccnc2C)C1 ZINC001181476757 795484065 /nfs/dbraw/zinc/48/40/65/795484065.db2.gz UDGUXOCXFGEBJU-DOTOQJQBSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(NC(=O)CCCCC)CC1 ZINC001121943411 795707468 /nfs/dbraw/zinc/70/74/68/795707468.db2.gz FZSNFEYJUHQZET-MRXNPFEDSA-N 0 3 323.481 2.358 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1nc2c(cccc2C)o1 ZINC001121967389 795710350 /nfs/dbraw/zinc/71/03/50/795710350.db2.gz POOGXUKLGHBUAI-CYBMUJFWSA-N 0 3 301.390 2.479 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CCN(C(=O)CC)C1 ZINC001121969730 795711275 /nfs/dbraw/zinc/71/12/75/795711275.db2.gz YOTBXRMUQAWPFZ-HUUCEWRRSA-N 0 3 311.470 2.191 20 30 DEEDHN CC#CCCCCCCCC(=O)NC1(CO)CCN(C)CC1 ZINC001182771749 795751941 /nfs/dbraw/zinc/75/19/41/795751941.db2.gz IQFNPPDDGSIGFV-UHFFFAOYSA-N 0 3 308.466 2.313 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCC1(C(=O)OC)CCC1 ZINC001122414419 795755162 /nfs/dbraw/zinc/75/51/62/795755162.db2.gz QHOQATPHAXFLON-LBPRGKRZSA-N 0 3 316.829 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2snc(Cl)c2Cl)C1 ZINC001182879804 795771837 /nfs/dbraw/zinc/77/18/37/795771837.db2.gz WAQNCZDEHDUOFJ-MRVPVSSYSA-N 0 3 318.229 2.277 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)/C=C/c2ccco2)cc1F ZINC001122736305 795800151 /nfs/dbraw/zinc/80/01/51/795800151.db2.gz YWHHQJNYXQPDAD-AATRIKPKSA-N 0 3 313.332 2.210 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cc(C)[nH]c2C)CC1 ZINC001151339777 795878387 /nfs/dbraw/zinc/87/83/87/795878387.db2.gz KOEXYGAKDOBUJI-UHFFFAOYSA-N 0 3 319.449 2.418 20 30 DEEDHN C#Cc1ccccc1CC(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001123246947 795879106 /nfs/dbraw/zinc/87/91/06/795879106.db2.gz DSXKZJALZXGOOB-GOSISDBHSA-N 0 3 313.397 2.007 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cnc(C)cn2)[C@H](C)C1 ZINC001184077660 795989568 /nfs/dbraw/zinc/98/95/68/795989568.db2.gz JQWZZHQXMHIVFX-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cnc(C)cn2)[C@@H](C)C1 ZINC001184077661 795989840 /nfs/dbraw/zinc/98/98/40/795989840.db2.gz JQWZZHQXMHIVFX-GOEBONIOSA-N 0 3 316.449 2.325 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(C)c3cccnc23)C1 ZINC001184371536 796056793 /nfs/dbraw/zinc/05/67/93/796056793.db2.gz OXBILBJCASBQEJ-OAHLLOKOSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCCC(=O)NCCNCC(=O)N(C(C)C)C1CCCCC1 ZINC001124646480 796079929 /nfs/dbraw/zinc/07/99/29/796079929.db2.gz SOZXLJPJKJNRRD-UHFFFAOYSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001184509804 796081803 /nfs/dbraw/zinc/08/18/03/796081803.db2.gz RSMDMJNFHHOJDH-CQSZACIVSA-N 0 3 306.356 2.030 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(O)cc(O)c3)C2)C1=O ZINC001138325452 796195263 /nfs/dbraw/zinc/19/52/63/796195263.db2.gz OKWIGHIKNXUWIC-SFHVURJKSA-N 0 3 316.401 2.098 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202846287 796242599 /nfs/dbraw/zinc/24/25/99/796242599.db2.gz JIFPKFUFXLASQW-GJZGRUSLSA-N 0 3 317.458 2.464 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2ccccn2)C12CCC2 ZINC001202848141 796244917 /nfs/dbraw/zinc/24/49/17/796244917.db2.gz YBCHYQRKMOXTEC-IRXDYDNUSA-N 0 3 311.429 2.402 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCc2ccc(OC)cc2)C1 ZINC001185401539 796250111 /nfs/dbraw/zinc/25/01/11/796250111.db2.gz RWZYNXAHUUBECZ-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202855464 796258611 /nfs/dbraw/zinc/25/86/11/796258611.db2.gz HOJXMMQVKUMQKC-STQMWFEESA-N 0 3 322.840 2.112 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H](NCc2ccccn2)C12CCC2 ZINC001202867698 796284429 /nfs/dbraw/zinc/28/44/29/796284429.db2.gz UCEXMADGRUVVOV-IRXDYDNUSA-N 0 3 311.429 2.258 20 30 DEEDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2C#N)CN1C1CC1 ZINC001185766505 796312347 /nfs/dbraw/zinc/31/23/47/796312347.db2.gz JKNLTXJGBMRFPL-UWVGGRQHSA-N 0 3 301.350 2.086 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c(C)n[nH]c1C)C2 ZINC001139098063 796322892 /nfs/dbraw/zinc/32/28/92/796322892.db2.gz FRTVTXOWDMSDAE-NVXWUHKLSA-N 0 3 305.422 2.353 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001186511742 796411597 /nfs/dbraw/zinc/41/15/97/796411597.db2.gz LHFURYNPSMFOTQ-CQSZACIVSA-N 0 3 306.793 2.176 20 30 DEEDHN N#Cc1cccc2c(CN3CC[C@H](Oc4ncccn4)C3)c[nH]c21 ZINC001139707564 796413694 /nfs/dbraw/zinc/41/36/94/796413694.db2.gz KGTZODBVIHYZFB-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001110384836 796448161 /nfs/dbraw/zinc/44/81/61/796448161.db2.gz AAEGBBSUDGDSJU-KURKYZTESA-N 0 3 314.429 2.153 20 30 DEEDHN COC(=O)C1(C#N)CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140185456 796488333 /nfs/dbraw/zinc/48/83/33/796488333.db2.gz WBNDHENHKDIDSW-UHFFFAOYSA-N 0 3 302.374 2.288 20 30 DEEDHN CN1c2ccccc2[C@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001140543403 796537129 /nfs/dbraw/zinc/53/71/29/796537129.db2.gz NNFRBUBQDLUGMX-LJQANCHMSA-N 0 3 318.380 2.073 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)C1 ZINC001187617799 796556393 /nfs/dbraw/zinc/55/63/93/796556393.db2.gz RJEVFHLILCDHLZ-QGZVFWFLSA-N 0 3 314.429 2.204 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001187723427 796568319 /nfs/dbraw/zinc/56/83/19/796568319.db2.gz NOZOUJBKUJLOMB-GOEBONIOSA-N 0 3 318.417 2.191 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(F)c3occc32)C1 ZINC001187960366 796608305 /nfs/dbraw/zinc/60/83/05/796608305.db2.gz GVYHHLRAHZIRAY-GFCCVEGCSA-N 0 3 300.333 2.399 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001188230466 796646602 /nfs/dbraw/zinc/64/66/02/796646602.db2.gz WJJNZAILBJMNRP-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)[nH]1 ZINC001188512133 796679356 /nfs/dbraw/zinc/67/93/56/796679356.db2.gz HFUUTCBGMNCOHD-JTQLQIEISA-N 0 3 301.312 2.414 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H]2CN(CCOCC=C)C[C@H]21 ZINC001188808135 796725090 /nfs/dbraw/zinc/72/50/90/796725090.db2.gz WXPWTMQVCRZRPZ-ZWKOTPCHSA-N 0 3 318.461 2.305 20 30 DEEDHN CC(C)C[C@H](C#N)NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142349882 796738248 /nfs/dbraw/zinc/73/82/48/796738248.db2.gz OKWGTKORODUYCL-QGZVFWFLSA-N 0 3 314.433 2.348 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001189110023 796765043 /nfs/dbraw/zinc/76/50/43/796765043.db2.gz JQRRRDSHYZJBLB-OWCLPIDISA-N 0 3 318.417 2.118 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001189371794 796813556 /nfs/dbraw/zinc/81/35/56/796813556.db2.gz SDPGWLHTPQHPHY-KRWDZBQOSA-N 0 3 320.408 2.369 20 30 DEEDHN CC(C)=CCN1CCCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001149686388 796886152 /nfs/dbraw/zinc/88/61/52/796886152.db2.gz DIRGZJQXCNWZOL-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)COC2CCCCC2)C1 ZINC001149930481 796906517 /nfs/dbraw/zinc/90/65/17/796906517.db2.gz NWNUTQARTHOICA-QGZVFWFLSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001150233016 796930791 /nfs/dbraw/zinc/93/07/91/796930791.db2.gz LTFSFIJRVUYOHZ-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)CC2CCCC2)C1 ZINC001150404130 796941846 /nfs/dbraw/zinc/94/18/46/796941846.db2.gz UGFXUWDEVYXVSL-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H]1CN(CC)CCCO1)c1ccccc1 ZINC001150754374 796975234 /nfs/dbraw/zinc/97/52/34/796975234.db2.gz ZALSHHQHOOWWPE-DLBZAZTESA-N 0 3 302.418 2.183 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCCn2cccc2)C1 ZINC001150760968 796976201 /nfs/dbraw/zinc/97/62/01/796976201.db2.gz GAKLLUTWKMSKPS-KRWDZBQOSA-N 0 3 319.449 2.052 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CN(CC)c3ccccc3)[C@@H]2C1 ZINC001190317673 796976957 /nfs/dbraw/zinc/97/69/57/796976957.db2.gz LADNDGYUOOYFLK-FUHWJXTLSA-N 0 3 313.445 2.232 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CC[C@@H]2CCCO2)CC1 ZINC001150985308 796998197 /nfs/dbraw/zinc/99/81/97/796998197.db2.gz CLANKNZAELOFHS-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2oc(C)nc2C)CC1 ZINC001151047646 797005098 /nfs/dbraw/zinc/00/50/98/797005098.db2.gz UOQQRYGKSZYTIW-UHFFFAOYSA-N 0 3 321.421 2.078 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCOCC(F)(F)F)C1 ZINC001190434751 797006852 /nfs/dbraw/zinc/00/68/52/797006852.db2.gz ABMHTHSOBSYCFI-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001151374527 797038466 /nfs/dbraw/zinc/03/84/66/797038466.db2.gz JWDQKPZDGMKCRK-HZPDHXFCSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(C)(C)CC(F)F)C1 ZINC001190603560 797039407 /nfs/dbraw/zinc/03/94/07/797039407.db2.gz FBXISXAVROFMKJ-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cccn2CC=C)C1 ZINC001190675629 797055220 /nfs/dbraw/zinc/05/52/20/797055220.db2.gz SRJZIHWWJHBSDB-INIZCTEOSA-N 0 3 317.433 2.023 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H]1CCCO1 ZINC001151756147 797090777 /nfs/dbraw/zinc/09/07/77/797090777.db2.gz RSTVRLLNUTYDPV-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@@H](C)OC ZINC001152154135 797151448 /nfs/dbraw/zinc/15/14/48/797151448.db2.gz VUHBXKJPDUABDC-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@@H](C)COC ZINC001152352920 797175514 /nfs/dbraw/zinc/17/55/14/797175514.db2.gz PAOYFFMUGGKYKP-LSDHHAIUSA-N 0 3 317.433 2.167 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001191838309 797273113 /nfs/dbraw/zinc/27/31/13/797273113.db2.gz IRSVEEXNJDNEFQ-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1oc(CC2CC2)nc1C ZINC001153413545 797336486 /nfs/dbraw/zinc/33/64/86/797336486.db2.gz HDKABHQQEDHRDK-GFCCVEGCSA-N 0 3 303.406 2.009 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001153432844 797338408 /nfs/dbraw/zinc/33/84/08/797338408.db2.gz NFIQQUNHJWPZFM-IKGGRYGDSA-N 0 3 308.466 2.288 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2occc2CC)C1 ZINC001192181568 797341698 /nfs/dbraw/zinc/34/16/98/797341698.db2.gz VYIOZQYZBBHJFE-OAHLLOKOSA-N 0 3 306.406 2.191 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001153477767 797344320 /nfs/dbraw/zinc/34/43/20/797344320.db2.gz PTYLDOHWTJRSQQ-LSDHHAIUSA-N 0 3 316.449 2.244 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001192272849 797351875 /nfs/dbraw/zinc/35/18/75/797351875.db2.gz KMDOZBUPMQWJEN-UHFFFAOYSA-N 0 3 320.352 2.416 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NCCc1c[nH]c2ccncc12 ZINC001192272849 797351879 /nfs/dbraw/zinc/35/18/79/797351879.db2.gz KMDOZBUPMQWJEN-UHFFFAOYSA-N 0 3 320.352 2.416 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001153857815 797411514 /nfs/dbraw/zinc/41/15/14/797411514.db2.gz DOHMNQLVZGEOBW-PBHICJAKSA-N 0 3 314.429 2.185 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(COC)c1 ZINC001154216186 797488516 /nfs/dbraw/zinc/48/85/16/797488516.db2.gz WXHPPUGXWYVQIN-OAHLLOKOSA-N 0 3 302.418 2.297 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccncc1OC(C)C ZINC001154452857 797538438 /nfs/dbraw/zinc/53/84/38/797538438.db2.gz YNJLMYRRUPFCLQ-OAHLLOKOSA-N 0 3 317.433 2.332 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1OCCc2ccccc21 ZINC001154557194 797562793 /nfs/dbraw/zinc/56/27/93/797562793.db2.gz MJPJZJUIZBCQPF-QAPCUYQASA-N 0 3 314.429 2.150 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CC/C=C/CCC)C[C@H]2O)CCC1 ZINC001193684828 797609802 /nfs/dbraw/zinc/60/98/02/797609802.db2.gz CZGMPNJGKKPRSP-KGVXHEBISA-N 0 3 318.461 2.088 20 30 DEEDHN Cc1cc(-n2nc(C(F)(F)F)c3c2CCNC3)ncc1C#N ZINC001154849268 797626216 /nfs/dbraw/zinc/62/62/16/797626216.db2.gz ISKXQBDJPLTHSD-UHFFFAOYSA-N 0 3 307.279 2.112 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCOc1ccc(F)cc1 ZINC001154973035 797651232 /nfs/dbraw/zinc/65/12/32/797651232.db2.gz HOTJZMULFVBGMB-OAHLLOKOSA-N 0 3 320.408 2.445 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2ccccc2C)C1 ZINC001194011808 797662322 /nfs/dbraw/zinc/66/23/22/797662322.db2.gz YNXUHBKFJXROFK-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCC=C(Cl)Cl ZINC001155446825 797758698 /nfs/dbraw/zinc/75/86/98/797758698.db2.gz OMYJDOCLDPJCSE-LLVKDONJSA-N 0 3 309.237 2.383 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001194931653 797798003 /nfs/dbraw/zinc/79/80/03/797798003.db2.gz NHWJWINIZWVVCJ-HUUCEWRRSA-N 0 3 314.445 2.258 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001155688044 797827046 /nfs/dbraw/zinc/82/70/46/797827046.db2.gz GLVDTWKWGSNIFV-DQEVTTJGSA-N 0 3 310.441 2.422 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001195255141 797860131 /nfs/dbraw/zinc/86/01/31/797860131.db2.gz NRARXJZIFUACIB-HZPDHXFCSA-N 0 3 308.466 2.496 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCNCc1csc(-c2ccoc2)n1 ZINC001155849142 797865551 /nfs/dbraw/zinc/86/55/51/797865551.db2.gz VDKLSJMAJYSXGN-LLVKDONJSA-N 0 3 318.402 2.159 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O ZINC001195473638 797909705 /nfs/dbraw/zinc/90/97/05/797909705.db2.gz PBTNKVXOUUDTBO-HZPDHXFCSA-N 0 3 308.466 2.168 20 30 DEEDHN Cc1cc(CN)nn1-c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001156043228 797912013 /nfs/dbraw/zinc/91/20/13/797912013.db2.gz YKBFHFGJWONHSA-AWEZNQCLSA-N 0 3 322.347 2.224 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cncc(C)c1 ZINC001156110949 797926715 /nfs/dbraw/zinc/92/67/15/797926715.db2.gz AXLKSOFBRAJAJM-UHFFFAOYSA-N 0 3 312.211 2.008 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)CCC(F)(F)F ZINC001156138020 797931803 /nfs/dbraw/zinc/93/18/03/797931803.db2.gz YOCQIDKUVRELKA-UHFFFAOYSA-N 0 3 313.323 2.497 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cnnn2CC)CC1 ZINC001195718033 797948276 /nfs/dbraw/zinc/94/82/76/797948276.db2.gz VZXQLMQTJVKSSX-UHFFFAOYSA-N 0 3 319.453 2.192 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001196004299 797990867 /nfs/dbraw/zinc/99/08/67/797990867.db2.gz MGTMWPFVQDOWQQ-FAJBIJEISA-N 0 3 320.477 2.474 20 30 DEEDHN CN1CCC[C@H]2CN(C(=O)c3cc4cc(C#N)ccc4[nH]3)C[C@H]21 ZINC001156456939 798004413 /nfs/dbraw/zinc/00/44/13/798004413.db2.gz LOYDJRAJCILSDP-SUMWQHHRSA-N 0 3 308.385 2.206 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(COC)c(F)c1 ZINC001156612369 798042585 /nfs/dbraw/zinc/04/25/85/798042585.db2.gz HURFDSCFRYLYGH-CYBMUJFWSA-N 0 3 306.381 2.046 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(C)C)[nH]c1=O ZINC001156672020 798059226 /nfs/dbraw/zinc/05/92/26/798059226.db2.gz BTALKQITBZWTFM-UHFFFAOYSA-N 0 3 305.422 2.491 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(Cl)n(C)n2)CC1 ZINC001196462022 798064293 /nfs/dbraw/zinc/06/42/93/798064293.db2.gz MJNDYDGDBVTOPF-UHFFFAOYSA-N 0 3 310.829 2.188 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccccc1C ZINC001156699804 798065238 /nfs/dbraw/zinc/06/52/38/798065238.db2.gz CLHOCSUCPBAALW-MRXNPFEDSA-N 0 3 302.418 2.224 20 30 DEEDHN CC[C@H](C)OCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156711169 798067820 /nfs/dbraw/zinc/06/78/20/798067820.db2.gz TYSHRAOBFJLKHL-ZDUSSCGKSA-N 0 3 321.396 2.108 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OCC)cc1 ZINC001156766937 798078942 /nfs/dbraw/zinc/07/89/42/798078942.db2.gz DFDRSHJSJFXLGD-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001156813869 798086268 /nfs/dbraw/zinc/08/62/68/798086268.db2.gz DIBYJBZMUDPNDE-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(OCC)c1 ZINC001157159002 798152063 /nfs/dbraw/zinc/15/20/63/798152063.db2.gz RDZCDGFPAZBPDK-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001198047318 798271366 /nfs/dbraw/zinc/27/13/66/798271366.db2.gz KCWYNQKJYZFZRG-DAXOMENPSA-N 0 3 322.836 2.470 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)C[C@@H](C)OC)c1ccccc1OC ZINC001198595287 798362687 /nfs/dbraw/zinc/36/26/87/798362687.db2.gz JNXSBCMTJTUTDB-ZBFHGGJFSA-N 0 3 320.433 2.443 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)C#N)NCC1CC1 ZINC001198616791 798368316 /nfs/dbraw/zinc/36/83/16/798368316.db2.gz JDXSHBPOYCLKBK-SWLSCSKDSA-N 0 3 301.390 2.012 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1ccnc(C)n1 ZINC001158271282 798372543 /nfs/dbraw/zinc/37/25/43/798372543.db2.gz WDSNALIIHPDTKT-QGZVFWFLSA-N 0 3 316.449 2.217 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCC(=C)C)C[C@H]2O)CCCC1 ZINC001199567217 798500310 /nfs/dbraw/zinc/50/03/10/798500310.db2.gz MKDPLIAORIUWAT-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCCN[C@H](C)c1cnccn1)OCC ZINC001159148316 798529513 /nfs/dbraw/zinc/52/95/13/798529513.db2.gz CRTWKPZHOXVJRU-ZBFHGGJFSA-N 0 3 320.437 2.005 20 30 DEEDHN C=CCOCC(=O)N1CCC(NCc2nc(C)c(C)s2)CC1 ZINC001199788248 798538957 /nfs/dbraw/zinc/53/89/57/798538957.db2.gz MZINYGAKDDANMM-UHFFFAOYSA-N 0 3 323.462 2.043 20 30 DEEDHN C=CCOCCCC(=O)N1CCC(NCc2cc(C)no2)CC1 ZINC001199979526 798567247 /nfs/dbraw/zinc/56/72/47/798567247.db2.gz PGHCOTGGQORBPI-UHFFFAOYSA-N 0 3 321.421 2.046 20 30 DEEDHN Cc1ccncc1CN1CC=C(CCNC(=O)[C@H](C)C#N)CC1 ZINC001159587300 798584728 /nfs/dbraw/zinc/58/47/28/798584728.db2.gz NBQYUZKPADBDEY-OAHLLOKOSA-N 0 3 312.417 2.188 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001159665045 798594124 /nfs/dbraw/zinc/59/41/24/798594124.db2.gz JFEBWXHIJBXQME-KBPBESRZSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCCCCC(=O)N1CCCO[C@@H](CNC[C@@H](F)CC)C1 ZINC001200320820 798614404 /nfs/dbraw/zinc/61/44/04/798614404.db2.gz BPIGPTOKKKVMAD-HOTGVXAUSA-N 0 3 312.429 2.135 20 30 DEEDHN N#Cc1ncc(NC(=S)NCCN2CCCCC2)cc1Cl ZINC001200417911 798624715 /nfs/dbraw/zinc/62/47/15/798624715.db2.gz JYGRDSIIKUAMQE-UHFFFAOYSA-N 0 3 323.853 2.379 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC001160136664 798653182 /nfs/dbraw/zinc/65/31/82/798653182.db2.gz MDGNVTVYNVUTQY-UHFFFAOYSA-N 0 3 316.449 2.482 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@H](CNCc2cncs2)C1 ZINC001200628299 798658317 /nfs/dbraw/zinc/65/83/17/798658317.db2.gz SVNZQENOWCEQRR-CQSZACIVSA-N 0 3 323.462 2.207 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001160324032 798674045 /nfs/dbraw/zinc/67/40/45/798674045.db2.gz FSZJRBRYXYVREC-ZWKOTPCHSA-N 0 3 318.461 2.209 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCCC2(C)C)CCCO1 ZINC001201196164 798720166 /nfs/dbraw/zinc/72/01/66/798720166.db2.gz MSAMPJPDMBAOCG-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2c(C)cccc2Cl)CCCO1 ZINC001201308942 798738498 /nfs/dbraw/zinc/73/84/98/798738498.db2.gz HGJJQCLJXIHXCW-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)C1CCC1 ZINC001160779292 798740272 /nfs/dbraw/zinc/74/02/72/798740272.db2.gz MLVJQGKGZBRPON-LLVKDONJSA-N 0 3 303.244 2.427 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(CCC)n[nH]2)CC1 ZINC001160857053 798751393 /nfs/dbraw/zinc/75/13/93/798751393.db2.gz UZFXWHYQSKNXPZ-UHFFFAOYSA-N 0 3 302.422 2.300 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(C)cc2Cl)CCCO1 ZINC001201461643 798755813 /nfs/dbraw/zinc/75/58/13/798755813.db2.gz XMZXGSIHZGHBNF-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)nc2c1nc(C)n2C ZINC001160954035 798770376 /nfs/dbraw/zinc/77/03/76/798770376.db2.gz OEWNPPCYGSAPLO-NSHDSACASA-N 0 3 320.828 2.387 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(C(F)F)cc2)CCCO1 ZINC001201659045 798786232 /nfs/dbraw/zinc/78/62/32/798786232.db2.gz LDALNIRBPCNLHA-HNNXBMFYSA-N 0 3 322.355 2.078 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cc(C(C)C)oc2C)CCCO1 ZINC001201766043 798796057 /nfs/dbraw/zinc/79/60/57/798796057.db2.gz LVINTDBHHJAWBK-HNNXBMFYSA-N 0 3 318.417 2.165 20 30 DEEDHN Cc1nc(NC2CCN(Cc3ccc(O)cc3)CC2)cnc1C#N ZINC001161137860 798801387 /nfs/dbraw/zinc/80/13/87/798801387.db2.gz YWFPSIWEQUMAMV-UHFFFAOYSA-N 0 3 323.400 2.439 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)CCCO1 ZINC001201864353 798802601 /nfs/dbraw/zinc/80/26/01/798802601.db2.gz WBJXDOGCHHURFE-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](C)CCC(C)(C)C)CCCO1 ZINC001201871792 798806449 /nfs/dbraw/zinc/80/64/49/798806449.db2.gz LOTGZPWWSGGCSX-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2cc(C)c(C)s2)CCCO1 ZINC001202013103 798817058 /nfs/dbraw/zinc/81/70/58/798817058.db2.gz FDFCWDXRSFKPAV-OAHLLOKOSA-N 0 3 320.458 2.209 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](CC)CCCCC)CCCO1 ZINC001202135010 798831215 /nfs/dbraw/zinc/83/12/15/798831215.db2.gz RURKPOQLEHRVHD-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1ccnc1CC)C2 ZINC001110577334 798849543 /nfs/dbraw/zinc/84/95/43/798849543.db2.gz DGAWZAMCEFVWOV-JJXSEGSLSA-N 0 3 316.449 2.304 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001202304600 798861925 /nfs/dbraw/zinc/86/19/25/798861925.db2.gz FMNOEMVXYLIHRT-SNVBAGLBSA-N 0 3 315.251 2.282 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)CCCOC)CC1 ZINC001161656087 798905315 /nfs/dbraw/zinc/90/53/15/798905315.db2.gz QFSHUCCVPUYLNZ-MRXNPFEDSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C ZINC001110609365 798919087 /nfs/dbraw/zinc/91/90/87/798919087.db2.gz BKYTXJDGMFMSJU-ZACQAIPSSA-N 0 3 316.449 2.040 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1coc(C(F)(F)F)n1 ZINC001161835860 798946240 /nfs/dbraw/zinc/94/62/40/798946240.db2.gz JBJYZAOVMPAYJQ-UHFFFAOYSA-N 0 3 311.691 2.155 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ncc3n2CCCC3)CC1 ZINC001161908562 798964655 /nfs/dbraw/zinc/96/46/55/798964655.db2.gz OGVSBIISBOAUJI-UHFFFAOYSA-N 0 3 314.433 2.157 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCn1cnc2ccccc21 ZINC001162058572 799003021 /nfs/dbraw/zinc/00/30/21/799003021.db2.gz JFLUPHUHGRVFPM-UHFFFAOYSA-N 0 3 320.824 2.275 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCC(C)C)(COC)CC1 ZINC001162091128 799009181 /nfs/dbraw/zinc/00/91/81/799009181.db2.gz DMJGZLPTAVLLBI-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)CCC)(COC)CC1 ZINC001162176101 799027515 /nfs/dbraw/zinc/02/75/15/799027515.db2.gz JTSSKKXKRDKFID-MRXNPFEDSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)CCCC)(COC)CC1 ZINC001162241604 799041555 /nfs/dbraw/zinc/04/15/55/799041555.db2.gz FQPGOGZBQYCRAX-MRXNPFEDSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001162295000 799053797 /nfs/dbraw/zinc/05/37/97/799053797.db2.gz ITIMBWOBQJPXNL-UHFFFAOYSA-N 0 3 306.797 2.333 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COCC2CC2)C12CCC2 ZINC001202535171 799151262 /nfs/dbraw/zinc/15/12/62/799151262.db2.gz YRSBQFDAQMCHBS-KBPBESRZSA-N 0 3 312.841 2.183 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)c1cccn1C ZINC001162707368 799153626 /nfs/dbraw/zinc/15/36/26/799153626.db2.gz SIQPYPZTJXIXAP-UHFFFAOYSA-N 0 3 323.440 2.323 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)Cc1ccoc1 ZINC001162783957 799172615 /nfs/dbraw/zinc/17/26/15/799172615.db2.gz DCNHPYBYYKGLSI-UHFFFAOYSA-N 0 3 310.397 2.116 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)/C=C\c1ccc[nH]1 ZINC001162783876 799172692 /nfs/dbraw/zinc/17/26/92/799172692.db2.gz BFNFQWSUCHPQKM-KHPPLWFESA-N 0 3 321.424 2.322 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001162827655 799185703 /nfs/dbraw/zinc/18/57/03/799185703.db2.gz ZILGFIPQIQYDBP-CYBMUJFWSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2ccccc2OC)CC1 ZINC001006380856 799270794 /nfs/dbraw/zinc/27/07/94/799270794.db2.gz LMGHCZGNQKULRF-UHFFFAOYSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ocnc1C(F)(F)F ZINC001163231924 799284181 /nfs/dbraw/zinc/28/41/81/799284181.db2.gz KMAFCMCTNMKTTJ-UHFFFAOYSA-N 0 3 311.691 2.155 20 30 DEEDHN N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@@H]1CCCCN1C1CC1 ZINC001163241312 799286825 /nfs/dbraw/zinc/28/68/25/799286825.db2.gz CSMCEBKPLNIXML-LBPRGKRZSA-N 0 3 315.377 2.477 20 30 DEEDHN C=C(Br)CNCC1(CCNC(=O)C(C)C)CC1 ZINC001163458328 799348985 /nfs/dbraw/zinc/34/89/85/799348985.db2.gz DUKNYTIRNBFGPF-UHFFFAOYSA-N 0 3 303.244 2.427 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001163592631 799383021 /nfs/dbraw/zinc/38/30/21/799383021.db2.gz HQPZISNVSSIXLC-CHWSQXEVSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccnc2N(C)C)CC1 ZINC001006403110 799393616 /nfs/dbraw/zinc/39/36/16/799393616.db2.gz YDIFUCZQFKINKL-UHFFFAOYSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001163861337 799447972 /nfs/dbraw/zinc/44/79/72/799447972.db2.gz ZTOOJRDUPSVPDN-UHFFFAOYSA-N 0 3 304.438 2.028 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccncc2F)CC1 ZINC001163926625 799458608 /nfs/dbraw/zinc/45/86/08/799458608.db2.gz ZFSOHLTUZMXJAD-UHFFFAOYSA-N 0 3 311.788 2.463 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCNCC(=O)Nc1ccccc1C ZINC001163948822 799462668 /nfs/dbraw/zinc/46/26/68/799462668.db2.gz VKLXYXGXVDORLQ-UHFFFAOYSA-N 0 3 317.433 2.242 20 30 DEEDHN C#CCCCCCC(=O)NCCCNCc1cccnc1OC ZINC001163969847 799468536 /nfs/dbraw/zinc/46/85/36/799468536.db2.gz VHCLGDLMSYKQLU-UHFFFAOYSA-N 0 3 317.433 2.270 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(F)(F)F)C2 ZINC001110844218 799499256 /nfs/dbraw/zinc/49/92/56/799499256.db2.gz OWIAACHONMOXAT-LPWJVIDDSA-N 0 3 302.340 2.320 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001164324083 799572567 /nfs/dbraw/zinc/57/25/67/799572567.db2.gz OTOLJORKHONJIJ-HNNXBMFYSA-N 0 3 318.465 2.418 20 30 DEEDHN Cc1nocc1CNCC1(CCNC(=O)C#CC(C)C)CC1 ZINC001164461355 799602327 /nfs/dbraw/zinc/60/23/27/799602327.db2.gz VKPBIAGNEHCULN-UHFFFAOYSA-N 0 3 303.406 2.019 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2ccn(CC)n2)CC1 ZINC001164586368 799628017 /nfs/dbraw/zinc/62/80/17/799628017.db2.gz JHBSCLYMKURUCX-UHFFFAOYSA-N 0 3 324.856 2.074 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3ccccc3n1)C2 ZINC001095629155 799677417 /nfs/dbraw/zinc/67/74/17/799677417.db2.gz WOBNKZIZKJMNSM-IKGGRYGDSA-N 0 3 324.428 2.174 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C[C@H]1C ZINC000947351495 799734627 /nfs/dbraw/zinc/73/46/27/799734627.db2.gz CIVFHVWRGJWWEQ-DGCLKSJQSA-N 0 3 324.375 2.193 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(-c2cccnc2)on1 ZINC001165542928 799743704 /nfs/dbraw/zinc/74/37/04/799743704.db2.gz SQJULYKGWXLJQQ-UHFFFAOYSA-N 0 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CC(C)C#CC(=O)N1CCC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001207995231 800884852 /nfs/dbraw/zinc/88/48/52/800884852.db2.gz CQNXGWIGTHCJRL-OAHLLOKOSA-N 0 3 319.836 2.475 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCC(=O)N[C@@H](C)CC)C1 ZINC001208239980 800936953 /nfs/dbraw/zinc/93/69/53/800936953.db2.gz HSDPNUFWTZRIMM-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001208260672 800943143 /nfs/dbraw/zinc/94/31/43/800943143.db2.gz BJIBNMPWIGXITI-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1C ZINC001208458617 800987444 /nfs/dbraw/zinc/98/74/44/800987444.db2.gz QMXUJQISOIVTBD-UKRRQHHQSA-N 0 3 307.463 2.478 20 30 DEEDHN CN(C)C(=O)N[C@@H]1CCCN(CCCc2cccc(C#N)c2)C1 ZINC001208854658 801079410 /nfs/dbraw/zinc/07/94/10/801079410.db2.gz SAALYAJZMLHXIE-QGZVFWFLSA-N 0 3 314.433 2.226 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001209346686 801173311 /nfs/dbraw/zinc/17/33/11/801173311.db2.gz 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ZINC001213357213 801599494 /nfs/dbraw/zinc/59/94/94/801599494.db2.gz KIENMLUKDZPYLX-GVDBMIGSSA-N 0 3 324.465 2.117 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCCC1CCOCC1 ZINC001231293536 801626823 /nfs/dbraw/zinc/62/68/23/801626823.db2.gz ODBILSQAGVXISO-RDJZCZTQSA-N 0 3 321.465 2.276 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2nocc2C)[C@H](OC)C1 ZINC001213673533 801633356 /nfs/dbraw/zinc/63/33/56/801633356.db2.gz HCJWCZUKQQHKJB-HUUCEWRRSA-N 0 3 323.437 2.382 20 30 DEEDHN OC[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@H]1O ZINC001231577673 801688763 /nfs/dbraw/zinc/68/87/63/801688763.db2.gz ZJABXBSTXPSSDK-LEWJYISDSA-N 0 3 321.420 2.262 20 30 DEEDHN OC[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@@H]1O ZINC001231577677 801689865 /nfs/dbraw/zinc/68/98/65/801689865.db2.gz ZJABXBSTXPSSDK-SFTDATJTSA-N 0 3 321.420 2.262 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001214585845 801735232 /nfs/dbraw/zinc/73/52/32/801735232.db2.gz RNZJCOKYDQHKSK-DNVCBOLYSA-N 0 3 324.399 2.027 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(OC)nc2)C1 ZINC001214741711 801755269 /nfs/dbraw/zinc/75/52/69/801755269.db2.gz YKVUJKSTTADKHT-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCOC(=O)N1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232018356 801769437 /nfs/dbraw/zinc/76/94/37/801769437.db2.gz JEZKDSWOFBTHNY-UHFFFAOYSA-N 0 3 300.362 2.003 20 30 DEEDHN C=CCOC(=O)N1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232018356 801769439 /nfs/dbraw/zinc/76/94/39/801769439.db2.gz JEZKDSWOFBTHNY-UHFFFAOYSA-N 0 3 300.362 2.003 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cncc(O)c1)CC2 ZINC001232041706 801777990 /nfs/dbraw/zinc/77/79/90/801777990.db2.gz MLDDFLZYVRLXPF-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cncc([O-])c1)CC2 ZINC001232041706 801777994 /nfs/dbraw/zinc/77/79/94/801777994.db2.gz MLDDFLZYVRLXPF-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cncc([O-])c1)CC2 ZINC001232041706 801777996 /nfs/dbraw/zinc/77/79/96/801777996.db2.gz MLDDFLZYVRLXPF-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(OC)n2)C1 ZINC001215427556 801861139 /nfs/dbraw/zinc/86/11/39/801861139.db2.gz COPDVUOVQBIVIO-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H](C)[C@H](NCc3ccnn3C)C2)CCC1 ZINC001215478342 801866800 /nfs/dbraw/zinc/86/68/00/801866800.db2.gz PPACHHLHWRLJDZ-GDBMZVCRSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001215701598 801894559 /nfs/dbraw/zinc/89/45/59/801894559.db2.gz ZNXANLZVLMKZSL-YRGRVCCFSA-N 0 3 319.453 2.213 20 30 DEEDHN CCN1CC[C@]2(CCCN(Cc3ccc(C#N)s3)C2)C1=O ZINC001232843726 801971229 /nfs/dbraw/zinc/97/12/29/801971229.db2.gz WHNZLEWTDSJWEV-INIZCTEOSA-N 0 3 303.431 2.454 20 30 DEEDHN N#Cc1ccc(F)cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216985161 802040919 /nfs/dbraw/zinc/04/09/19/802040919.db2.gz BOTPBGPOLTXNHX-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC001233267512 802058608 /nfs/dbraw/zinc/05/86/08/802058608.db2.gz WDOIYHCXSYVYMN-ZDUSSCGKSA-N 0 3 307.419 2.184 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)OC)[C@H]2C1 ZINC001217503149 802081634 /nfs/dbraw/zinc/08/16/34/802081634.db2.gz ACMGKHIEIHJOGE-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001217835451 802114707 /nfs/dbraw/zinc/11/47/07/802114707.db2.gz UIBKZLOBIVPLRQ-ZWKOTPCHSA-N 0 3 316.445 2.058 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001233492633 802134490 /nfs/dbraw/zinc/13/44/90/802134490.db2.gz XDMKAIAJGDOOKW-SWLSCSKDSA-N 0 3 303.381 2.291 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001233655572 802176516 /nfs/dbraw/zinc/17/65/16/802176516.db2.gz ZSCCSAUHLHRZOC-HOTGVXAUSA-N 0 3 324.465 2.443 20 30 DEEDHN CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001233692495 802183535 /nfs/dbraw/zinc/18/35/35/802183535.db2.gz GWKHLVYXYKKMHM-FOSCPCJNSA-N 0 3 300.406 2.389 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CCCF)[C@H]2C1 ZINC001218476550 802188115 /nfs/dbraw/zinc/18/81/15/802188115.db2.gz YDCYMDMEYWTQBU-JKSUJKDBSA-N 0 3 312.429 2.394 20 30 DEEDHN C=C/C(C)=C/CC(=O)N1CCO[C@@H]2CN(CCC(=C)C)C[C@@H]21 ZINC001218486040 802189895 /nfs/dbraw/zinc/18/98/95/802189895.db2.gz BMCJRQPGDQOTLO-RMBMISDLSA-N 0 3 304.434 2.387 20 30 DEEDHN N#Cc1ncc(NC(=O)[C@@H]2C[C@@H](F)CCN2)cc1C(F)(F)F ZINC001218658803 802224165 /nfs/dbraw/zinc/22/41/65/802224165.db2.gz ITIIIMPGRITESV-XVKPBYJWSA-N 0 3 316.258 2.001 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1C[C@@H](OC)C1CCC1 ZINC001233948320 802249416 /nfs/dbraw/zinc/24/94/16/802249416.db2.gz UYQXKCIOPUCGQQ-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCCc2ccccc2)C[C@@H]1O ZINC001219334748 802312713 /nfs/dbraw/zinc/31/27/13/802312713.db2.gz GYKJBULPUKISTF-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)n2cccc2)[C@@H](O)C1 ZINC001219467573 802335887 /nfs/dbraw/zinc/33/58/87/802335887.db2.gz NBVCZMQRBQHNFO-ZACQAIPSSA-N 0 3 321.465 2.181 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001234346599 802358603 /nfs/dbraw/zinc/35/86/03/802358603.db2.gz ZDPAJEBUDANTRV-HNNXBMFYSA-N 0 3 317.437 2.116 20 30 DEEDHN COCCCC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001234398130 802368355 /nfs/dbraw/zinc/36/83/55/802368355.db2.gz KSLKPFHNVLSCKP-UHFFFAOYSA-N 0 3 321.396 2.062 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001234500395 802394690 /nfs/dbraw/zinc/39/46/90/802394690.db2.gz SYJDHURDQJCCHA-SJORKVTESA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001219969940 802395630 /nfs/dbraw/zinc/39/56/30/802395630.db2.gz AJKDOMYRRQFROX-XZJROXQQSA-N 0 3 320.433 2.334 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC001220247603 802432083 /nfs/dbraw/zinc/43/20/83/802432083.db2.gz KOXYPSYLNAHOIT-KURKYZTESA-N 0 3 314.429 2.192 20 30 DEEDHN C=C(C)[C@H](CC(=O)N(C)C[C@H]1CCN1CCCF)OCC ZINC001234640598 802438513 /nfs/dbraw/zinc/43/85/13/802438513.db2.gz AKHCDDSGLSLOAF-CABCVRRESA-N 0 3 300.418 2.250 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](O)C1 ZINC001220771524 802495871 /nfs/dbraw/zinc/49/58/71/802495871.db2.gz XBJTVVZRSTZAND-CABCVRRESA-N 0 3 320.433 2.146 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)Cc2ccccc2Cl)[C@@H](O)C1 ZINC001220912517 802511201 /nfs/dbraw/zinc/51/12/01/802511201.db2.gz LJVGNBBUQHVPJR-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 ZINC001220978231 802517812 /nfs/dbraw/zinc/51/78/12/802517812.db2.gz SOOWQPZOIHZBRQ-CVEARBPZSA-N 0 3 307.438 2.068 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C=C)c2ccccc2)[C@@H](O)C1 ZINC001221042330 802523737 /nfs/dbraw/zinc/52/37/37/802523737.db2.gz IVURCRBEEKTKFJ-JQHSSLGASA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001221230631 802540558 /nfs/dbraw/zinc/54/05/58/802540558.db2.gz AKFNQQLIQDPDQL-IAGOWNOFSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221518221 802587325 /nfs/dbraw/zinc/58/73/25/802587325.db2.gz XFWZKFREXVGELG-ZHALLVOQSA-N 0 3 318.461 2.347 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(CCC[C@H](C)O)C[C@H]21 ZINC001221839420 802620927 /nfs/dbraw/zinc/62/09/27/802620927.db2.gz QTLNSBWMXKELMD-ARFHVFGLSA-N 0 3 308.466 2.282 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)[C@@H]2C1 ZINC001222051973 802635911 /nfs/dbraw/zinc/63/59/11/802635911.db2.gz PCGLUGFOUWFWPT-DJIMGWMZSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001222067533 802636987 /nfs/dbraw/zinc/63/69/87/802636987.db2.gz JCEVXHSORPDXRY-HZPDHXFCSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001222067531 802637179 /nfs/dbraw/zinc/63/71/79/802637179.db2.gz JCEVXHSORPDXRY-CVEARBPZSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001222067403 802637204 /nfs/dbraw/zinc/63/72/04/802637204.db2.gz HNMMGLQXUJNQTH-GDBMZVCRSA-N 0 3 320.408 2.497 20 30 DEEDHN N#CCSCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001222425617 802683370 /nfs/dbraw/zinc/68/33/70/802683370.db2.gz RDGVXZXZPFXIMB-UHFFFAOYSA-N 0 3 323.384 2.024 20 30 DEEDHN N#CCSCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001222425767 802683555 /nfs/dbraw/zinc/68/35/55/802683555.db2.gz YPWNRCIHJRPOJW-UHFFFAOYSA-N 0 3 323.487 2.333 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)C3(F)CCCC3)C[C@@H]21 ZINC001223032954 802760647 /nfs/dbraw/zinc/76/06/47/802760647.db2.gz ZXSDBKUCJYJFTB-CVEARBPZSA-N 0 3 324.440 2.394 20 30 DEEDHN O=C(C#CC1CC1)NCC1CCN(Cc2ccsc2)CC1 ZINC001223134127 802768235 /nfs/dbraw/zinc/76/82/35/802768235.db2.gz FZVUYJPWWQAOJB-UHFFFAOYSA-N 0 3 302.443 2.490 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)c2cc(C)ccn2)CC1 ZINC001223578082 802801408 /nfs/dbraw/zinc/80/14/08/802801408.db2.gz OIJBSUHNFLNUQV-UHFFFAOYSA-N 0 3 313.445 2.129 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001223863683 802819453 /nfs/dbraw/zinc/81/94/53/802819453.db2.gz CLYONACVQJBZAY-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC001224713037 802896713 /nfs/dbraw/zinc/89/67/13/802896713.db2.gz NUZAECIACGBUAU-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001224712708 802897318 /nfs/dbraw/zinc/89/73/18/802897318.db2.gz KQWALIUITGUFOS-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC001225332967 802956596 /nfs/dbraw/zinc/95/65/96/802956596.db2.gz JAURBVKRMUNCFM-INIZCTEOSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001225626251 802992690 /nfs/dbraw/zinc/99/26/90/802992690.db2.gz VVKXQYLAYVKIHU-OAHLLOKOSA-N 0 3 317.433 2.001 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001225638357 802994666 /nfs/dbraw/zinc/99/46/66/802994666.db2.gz DTXOYFVESQGJDL-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN CC(C)COCCN1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC001227281813 803226916 /nfs/dbraw/zinc/22/69/16/803226916.db2.gz YECSGARQFFQZSU-UHFFFAOYSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CCC(NC(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001227464161 803243750 /nfs/dbraw/zinc/24/37/50/803243750.db2.gz DXYYFLTUJACSPW-OAHLLOKOSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCC1(C(=O)NC2CCN(CCOCC(C)C)CC2)CCC1 ZINC001227753981 803275165 /nfs/dbraw/zinc/27/51/65/803275165.db2.gz FMCOLFUUQZWNKA-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)CC(F)F)CC1 ZINC001228348989 803348688 /nfs/dbraw/zinc/34/86/88/803348688.db2.gz ARKPYHNWTJQFHR-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228588249 803377221 /nfs/dbraw/zinc/37/72/21/803377221.db2.gz CDOAZYOBMHKVME-UHFFFAOYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228750152 803406817 /nfs/dbraw/zinc/40/68/17/803406817.db2.gz WNFGQLKBUSJBML-LSDHHAIUSA-N 0 3 318.465 2.001 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001418821555 1167986589 /nfs/dbraw/zinc/98/65/89/1167986589.db2.gz BEAZIULWBPFGQG-GJZGRUSLSA-N 0 3 315.889 2.392 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C2CCOCC2)CC1 ZINC001335444531 1150418097 /nfs/dbraw/zinc/41/80/97/1150418097.db2.gz NILJUGSHMMQEOJ-UHFFFAOYSA-N 0 3 323.481 2.389 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](CCC)c1ccccn1 ZINC001331528918 1149508704 /nfs/dbraw/zinc/50/87/04/1149508704.db2.gz HAMXSLOPAJMNED-JKSUJKDBSA-N 0 3 301.434 2.425 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](CCC)c1ccccn1 ZINC001331528915 1149508765 /nfs/dbraw/zinc/50/87/65/1149508765.db2.gz HAMXSLOPAJMNED-CVEARBPZSA-N 0 3 301.434 2.425 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001368856041 1148721683 /nfs/dbraw/zinc/72/16/83/1148721683.db2.gz JDXPTHDQCVCYOR-NEPJUHHUSA-N 0 3 324.856 2.066 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC001368856041 1148721696 /nfs/dbraw/zinc/72/16/96/1148721696.db2.gz JDXPTHDQCVCYOR-NEPJUHHUSA-N 0 3 324.856 2.066 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC001331575081 1149539447 /nfs/dbraw/zinc/53/94/47/1149539447.db2.gz BYATZJDTIRYXAN-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN C#CCCCCCC(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC001328129378 1148727174 /nfs/dbraw/zinc/72/71/74/1148727174.db2.gz LLCHUDQMIXZUOA-UHFFFAOYSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@H](C)[C@@H](C)CC)CC2)C1 ZINC001328129698 1148727900 /nfs/dbraw/zinc/72/79/00/1148727900.db2.gz WKCZGTNQIAJIGH-DLBZAZTESA-N 0 3 321.509 2.463 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001331647668 1149576975 /nfs/dbraw/zinc/57/69/75/1149576975.db2.gz NLKYLHPCMVWUOF-VNCLNFNDSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)c1ccccc1C(C)(C)CC ZINC001331737705 1149646711 /nfs/dbraw/zinc/64/67/11/1149646711.db2.gz BNODFXWYUNKQQT-CQSZACIVSA-N 0 3 304.434 2.241 20 30 DEEDHN C#CCOCCN(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001343647577 1150759783 /nfs/dbraw/zinc/75/97/83/1150759783.db2.gz RGLKHQOMZACTGA-AWEZNQCLSA-N 0 3 301.308 2.320 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)N[C@H](C)c2cccc(C)c2)C1 ZINC001331788152 1149681585 /nfs/dbraw/zinc/68/15/85/1149681585.db2.gz QLOYSYFDLWBHJF-WBVHZDCISA-N 0 3 316.445 2.479 20 30 DEEDHN C=C[C@H](C(=O)OC)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001345023583 1150859257 /nfs/dbraw/zinc/85/92/57/1150859257.db2.gz JQCNVPMUGVYFLU-QGZVFWFLSA-N 0 3 302.418 2.230 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@H]1C ZINC001345373538 1150885420 /nfs/dbraw/zinc/88/54/20/1150885420.db2.gz FMCQZYLJFRVYTR-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)CC1(C)COC1)c1ccccc1 ZINC001345886128 1150923113 /nfs/dbraw/zinc/92/31/13/1150923113.db2.gz CPCDKYWGALLJHR-CABCVRRESA-N 0 3 314.385 2.389 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@]2(CCOC2=O)C1 ZINC001346210523 1150952187 /nfs/dbraw/zinc/95/21/87/1150952187.db2.gz UCYYNPFZWDBOJK-YOEHRIQHSA-N 0 3 310.438 2.230 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001346557973 1151003691 /nfs/dbraw/zinc/00/36/91/1151003691.db2.gz SIAJFAUPZXEEFT-USXIJHARSA-N 0 3 317.433 2.150 20 30 DEEDHN C[C@@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)C#CC1CC1 ZINC001331880772 1149747850 /nfs/dbraw/zinc/74/78/50/1149747850.db2.gz YSEPTXPZZXYBEQ-PWSUYJOCSA-N 0 3 301.217 2.298 20 30 DEEDHN Cc1ccncc1CNC1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC001368463508 1148455837 /nfs/dbraw/zinc/45/58/37/1148455837.db2.gz VFAAZZGIFJMSMX-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C=CCCCC[N@@H+](C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001602838139 1069773966 /nfs/dbraw/zinc/77/39/66/1069773966.db2.gz QXUVONKKYBFEGG-HNNXBMFYSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CCCCC[N@H+](C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001602838139 1069773971 /nfs/dbraw/zinc/77/39/71/1069773971.db2.gz QXUVONKKYBFEGG-HNNXBMFYSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CCCCC[N@@H+](C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602838139 1069773975 /nfs/dbraw/zinc/77/39/75/1069773975.db2.gz QXUVONKKYBFEGG-HNNXBMFYSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CCCCC[N@H+](C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602838139 1069773978 /nfs/dbraw/zinc/77/39/78/1069773978.db2.gz QXUVONKKYBFEGG-HNNXBMFYSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCN(CC)C(=O)CN1CCC[C@H]1C ZINC001528873478 1070778633 /nfs/dbraw/zinc/77/86/33/1070778633.db2.gz RFLKIFRRNVBHQJ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(CC)nn(C)c1Cl ZINC001328782326 1148835154 /nfs/dbraw/zinc/83/51/54/1148835154.db2.gz YZHXZUHDZDQBGR-GFCCVEGCSA-N 0 3 324.856 2.358 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC001328861792 1148842729 /nfs/dbraw/zinc/84/27/29/1148842729.db2.gz WKFLJMJZZPMXEY-UHFFFAOYSA-N 0 3 304.438 2.007 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(CCOC2CCCCCC2)C1 ZINC001369074118 1148843400 /nfs/dbraw/zinc/84/34/00/1148843400.db2.gz IINTVYTVNAHRKY-CABCVRRESA-N 0 3 321.465 2.322 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(CC)C(=O)CN(C)CCC)C1 ZINC001531019488 1071390574 /nfs/dbraw/zinc/39/05/74/1071390574.db2.gz OABQCMLLCJYNNF-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C#CCN(C(=O)c1cc(C2CC2)n[nH]1)C1CCN(CC=C)CC1 ZINC001500046874 1058449398 /nfs/dbraw/zinc/44/93/98/1058449398.db2.gz BUFFBUIQEKWMNF-UHFFFAOYSA-N 0 3 312.417 2.013 20 30 DEEDHN CCN(CCC#N)C(=O)CN1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001460618273 1058479513 /nfs/dbraw/zinc/47/95/13/1058479513.db2.gz OGNZDAKRGFFOJA-KURKYZTESA-N 0 3 311.429 2.484 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1CN(CC#Cc1ccc(F)cc1)C2 ZINC001460719815 1058493793 /nfs/dbraw/zinc/49/37/93/1058493793.db2.gz QWMJOWGIQNSXQE-YJBOKZPZSA-N 0 3 301.361 2.452 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(C)CC1)C2 ZINC001500155982 1058529599 /nfs/dbraw/zinc/52/95/99/1058529599.db2.gz INZQTTCXSCWQEI-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C(C)CCC(=O)NCC1(C)CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001500428533 1058776964 /nfs/dbraw/zinc/77/69/64/1058776964.db2.gz ILWRKRGMBNTFAX-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2(NC[C@@H](F)CC)CCOCC2)C1 ZINC001500583943 1058935025 /nfs/dbraw/zinc/93/50/25/1058935025.db2.gz NLMJLRYNIJNZBP-AWEZNQCLSA-N 0 3 312.429 2.346 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@H](C)NCc2csnc2OC)C1 ZINC001501033963 1059221736 /nfs/dbraw/zinc/22/17/36/1059221736.db2.gz RBYICRZQVSWGNW-QWHCGFSZSA-N 0 3 323.462 2.445 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001501292901 1059433397 /nfs/dbraw/zinc/43/33/97/1059433397.db2.gz GMXLCEODFVSVHT-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001501323303 1059449702 /nfs/dbraw/zinc/44/97/02/1059449702.db2.gz CYYXETRTTZPPGK-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H](C)c1ccc(CNC(=O)CC2CC2)cc1 ZINC001501669537 1059620726 /nfs/dbraw/zinc/62/07/26/1059620726.db2.gz AUQGXDTVBGZJQQ-OAHLLOKOSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cnc(C)[nH]2)cc1 ZINC001501672403 1059624878 /nfs/dbraw/zinc/62/48/78/1059624878.db2.gz FAOBDWCQNIXENR-ZDUSSCGKSA-N 0 3 310.401 2.322 20 30 DEEDHN CC(C)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001501914598 1059776693 /nfs/dbraw/zinc/77/66/93/1059776693.db2.gz TYGFQOSXSKOVCG-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN CC[C@@H](OC)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001501924151 1059780066 /nfs/dbraw/zinc/78/00/66/1059780066.db2.gz ZTBWIIKNJVHIEM-CQSZACIVSA-N 0 3 321.446 2.173 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2coc3cc(F)ccc23)CCC1 ZINC001501951246 1059799046 /nfs/dbraw/zinc/79/90/46/1059799046.db2.gz YKGPEAPJOJADKC-UHFFFAOYSA-N 0 3 314.360 2.376 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2ccc(C)cc2Cl)CCC1 ZINC001501971458 1059822659 /nfs/dbraw/zinc/82/26/59/1059822659.db2.gz SVCOLBPBDIOHLO-UHFFFAOYSA-N 0 3 304.821 2.453 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C)n([C@H](C)CC)n2)CCC1 ZINC001501976336 1059824737 /nfs/dbraw/zinc/82/47/37/1059824737.db2.gz ISRMCZNIZATAKD-CQSZACIVSA-N 0 3 316.449 2.428 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C)n([C@@H](C)CC)n2)CCC1 ZINC001501976335 1059827366 /nfs/dbraw/zinc/82/73/66/1059827366.db2.gz ISRMCZNIZATAKD-AWEZNQCLSA-N 0 3 316.449 2.428 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H](CNCc2c(C)nsc2C)C1 ZINC001502043794 1059893908 /nfs/dbraw/zinc/89/39/08/1059893908.db2.gz NHOKRAZYWNHRBY-AWEZNQCLSA-N 0 3 323.462 2.043 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C(C)(C)C2CCCCC2)CCO1 ZINC001502081761 1059915613 /nfs/dbraw/zinc/91/56/13/1059915613.db2.gz XECJCTAGGPDDHT-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](CCCC)C(C)C)CCO1 ZINC001502094552 1059924054 /nfs/dbraw/zinc/92/40/54/1059924054.db2.gz JIDRQBBUYHPDRQ-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001502132619 1059979064 /nfs/dbraw/zinc/97/90/64/1059979064.db2.gz WHORVOUGHVLIGW-SJORKVTESA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ncccc1OC(C)C ZINC001502393755 1060104997 /nfs/dbraw/zinc/10/49/97/1060104997.db2.gz DPBFMTYHHADLQZ-UHFFFAOYSA-N 0 3 317.433 2.286 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001502394590 1060107867 /nfs/dbraw/zinc/10/78/67/1060107867.db2.gz ZNXXOUISKRYKES-UAPYVXQJSA-N 0 3 316.420 2.470 20 30 DEEDHN CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1N ZINC001470741807 1060139465 /nfs/dbraw/zinc/13/94/65/1060139465.db2.gz JBNOXUVFVLIPMZ-AWEZNQCLSA-N 0 3 304.369 2.338 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2cn(C)nn2)CC1 ZINC001502496526 1060153602 /nfs/dbraw/zinc/15/36/02/1060153602.db2.gz XOPDNDSVDOFXSU-UHFFFAOYSA-N 0 3 319.453 2.032 20 30 DEEDHN C#CCN1CCN(CCCCCNC(=O)C2CCCCC2)CC1 ZINC001503736577 1060465573 /nfs/dbraw/zinc/46/55/73/1060465573.db2.gz XQCORGXXWFODAY-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN N#Cc1ccc(NCCN2CCCOCC2)cc1Br ZINC001548514546 1060506011 /nfs/dbraw/zinc/50/60/11/1060506011.db2.gz JITDGADRJRJMAZ-UHFFFAOYSA-N 0 3 324.222 2.455 20 30 DEEDHN CC#CCCCC(=O)NC1CC(CNCc2conc2C)C1 ZINC001505513857 1060671198 /nfs/dbraw/zinc/67/11/98/1060671198.db2.gz SSONRHIVPGELMF-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC001473421630 1060680734 /nfs/dbraw/zinc/68/07/34/1060680734.db2.gz QIFGNIYOBQUPLG-OALUTQOASA-N 0 3 323.396 2.278 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1 ZINC001505928884 1061144525 /nfs/dbraw/zinc/14/45/25/1061144525.db2.gz POIXGMPULUQKNJ-CQSZACIVSA-N 0 3 317.433 2.078 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001479243303 1061318166 /nfs/dbraw/zinc/31/81/66/1061318166.db2.gz CECQYZIBHGOCOI-CVEARBPZSA-N 0 3 317.433 2.348 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC001479252306 1061330074 /nfs/dbraw/zinc/33/00/74/1061330074.db2.gz CNAPRPXEDDWRFY-NVXWUHKLSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CCC2CCC2)n1 ZINC001479601630 1061516339 /nfs/dbraw/zinc/51/63/39/1061516339.db2.gz GGJGSKHGEQHHMC-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001479679525 1061588284 /nfs/dbraw/zinc/58/82/84/1061588284.db2.gz MDBGRWDXIQUIFH-HZPDHXFCSA-N 0 3 310.482 2.345 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC001479707733 1061624535 /nfs/dbraw/zinc/62/45/35/1061624535.db2.gz ICBSAUBQHPLLHJ-OLZOCXBDSA-N 0 3 317.389 2.156 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(NC(C)=O)ccc1C ZINC001506072075 1061643888 /nfs/dbraw/zinc/64/38/88/1061643888.db2.gz MIPLKHXOCPNDJV-ZDUSSCGKSA-N 0 3 303.406 2.190 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC001479735911 1061660380 /nfs/dbraw/zinc/66/03/80/1061660380.db2.gz JRNLRIGEPSMKHH-AWEZNQCLSA-N 0 3 316.449 2.401 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)CCC)CC(C)(C)C1 ZINC001479743185 1061671896 /nfs/dbraw/zinc/67/18/96/1061671896.db2.gz SDOJRRJFXORMJZ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1c(C)cnn1C ZINC001479828849 1061853171 /nfs/dbraw/zinc/85/31/71/1061853171.db2.gz FTZFJRCIDMPWNL-ZIAGYGMSSA-N 0 3 324.856 2.454 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)C/C=C/Cl)cn1 ZINC001479860043 1061930330 /nfs/dbraw/zinc/93/03/30/1061930330.db2.gz PRXJVCHWMXGJDA-WEVVVXLNSA-N 0 3 305.809 2.257 20 30 DEEDHN C#CCN(CCCNC(=O)COc1c(C)cccc1C)C1CC1 ZINC001479880901 1061983461 /nfs/dbraw/zinc/98/34/61/1061983461.db2.gz ZZGBYTHCWRWQCD-UHFFFAOYSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNCc2cnnn2C)CCCCC1 ZINC001506504319 1062056888 /nfs/dbraw/zinc/05/68/88/1062056888.db2.gz CTNFXECWOWLRHX-UHFFFAOYSA-N 0 3 319.453 2.080 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001479953124 1062098082 /nfs/dbraw/zinc/09/80/82/1062098082.db2.gz BSWMQWBDQOIEPT-CQSZACIVSA-N 0 3 320.437 2.260 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCOc2cccc(C)c2)C1 ZINC001479970416 1062127602 /nfs/dbraw/zinc/12/76/02/1062127602.db2.gz WAYCKYLZXNLFAY-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN Cc1cccnc1CN1CCC2(C[C@@H]2NC(=O)[C@H](C)C#N)CC1 ZINC001479978930 1062139964 /nfs/dbraw/zinc/13/99/64/1062139964.db2.gz ZKRGSQDAVQCLFA-ZBFHGGJFSA-N 0 3 312.417 2.020 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001479985829 1062146125 /nfs/dbraw/zinc/14/61/25/1062146125.db2.gz XEUFMPWKGYESHV-NWDGAFQWSA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2cccc(F)c2)C1 ZINC001506584349 1062159117 /nfs/dbraw/zinc/15/91/17/1062159117.db2.gz HBCINUYNGQCAJE-CYBMUJFWSA-N 0 3 306.381 2.078 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C1CN(C[C@@H]2CCCCO2)C1 ZINC001506645061 1062229909 /nfs/dbraw/zinc/22/99/09/1062229909.db2.gz OZTYSDXAYPUSPK-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@](C)(OC)c2ccccc2)C1 ZINC001506666963 1062258263 /nfs/dbraw/zinc/25/82/63/1062258263.db2.gz TZWOYFKXGCGUFB-HNAYVOBHSA-N 0 3 314.429 2.008 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001506676467 1062267392 /nfs/dbraw/zinc/26/73/92/1062267392.db2.gz AVGKXQRKVSYUGK-ZDUSSCGKSA-N 0 3 312.417 2.118 20 30 DEEDHN C=CCCC(=O)N[C@H]1CN(CCc2cnn(CC)c2)CC1(C)C ZINC001506730719 1062322310 /nfs/dbraw/zinc/32/23/10/1062322310.db2.gz QEZYKEIRFBRRFH-INIZCTEOSA-N 0 3 318.465 2.238 20 30 DEEDHN CC#CCN1C[C@@H]2C(CNC(=O)C/C=C\Cc3ccccc3)[C@@H]2C1 ZINC001506796915 1062397506 /nfs/dbraw/zinc/39/75/06/1062397506.db2.gz WCBPTOWWTSVXIQ-GMRWYJNFSA-N 0 3 322.452 2.493 20 30 DEEDHN C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001506920369 1062526028 /nfs/dbraw/zinc/52/60/28/1062526028.db2.gz ILEKVHUMBHYCFC-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001480256854 1062543804 /nfs/dbraw/zinc/54/38/04/1062543804.db2.gz GVYMSVBYRSMKSM-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccc[nH]1)NCc1ccc(F)c(C#N)c1 ZINC001507048531 1062731098 /nfs/dbraw/zinc/73/10/98/1062731098.db2.gz ZXKNWQHDHMVISI-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CSCC#N ZINC001480375202 1062735803 /nfs/dbraw/zinc/73/58/03/1062735803.db2.gz YBONHNXMAUCAJF-LSDHHAIUSA-N 0 3 307.463 2.275 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001480375828 1062744371 /nfs/dbraw/zinc/74/43/71/1062744371.db2.gz KFVZMPNLDWPEAA-NVXWUHKLSA-N 0 3 317.433 2.001 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)CCCC2CC2)C1 ZINC001480383342 1062765874 /nfs/dbraw/zinc/76/58/74/1062765874.db2.gz OQDJPPMUUNHOLD-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@H](CN(C)C(=O)COC(C)(C)C)NCc1ccc(C#N)s1 ZINC001507066277 1062771846 /nfs/dbraw/zinc/77/18/46/1062771846.db2.gz POHGIKIGCGFWGI-GFCCVEGCSA-N 0 3 323.462 2.371 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)Oc1ccccc1F ZINC001507079490 1062794432 /nfs/dbraw/zinc/79/44/32/1062794432.db2.gz XLYZIVMOEAFPJF-UONOGXRCSA-N 0 3 306.381 2.053 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCCC[C@H]1C ZINC001507080657 1062797519 /nfs/dbraw/zinc/79/75/19/1062797519.db2.gz GUNQKWATJOJMDL-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)N[C@H]1CCc2ccccc2NC1=O ZINC001480431776 1062856791 /nfs/dbraw/zinc/85/67/91/1062856791.db2.gz JJYDVAXUPMFKAZ-BBRMVZONSA-N 0 3 315.417 2.000 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001507124165 1062879358 /nfs/dbraw/zinc/87/93/58/1062879358.db2.gz GYYQXJANZZJAST-BRWVUGGUSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@H](C)NC[C@H](F)CC)cc1 ZINC001507132982 1062894701 /nfs/dbraw/zinc/89/47/01/1062894701.db2.gz CMNHLFYWLYTWRU-GOEBONIOSA-N 0 3 320.408 2.497 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC(C)C)[C@H]1C ZINC001507271689 1063012991 /nfs/dbraw/zinc/01/29/91/1063012991.db2.gz PPHZFDBCNHYZCE-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001480553955 1063026184 /nfs/dbraw/zinc/02/61/84/1063026184.db2.gz MXVMUVZBQATQDG-HZPDHXFCSA-N 0 3 308.466 2.337 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)n(CC)c2C)C1 ZINC001507317053 1063085420 /nfs/dbraw/zinc/08/54/20/1063085420.db2.gz KWLCXDPLRKDBLK-BBRMVZONSA-N 0 3 301.434 2.341 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001480619893 1063110951 /nfs/dbraw/zinc/11/09/51/1063110951.db2.gz SFCSGNPOOQNEAH-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cncc3ccccc32)C1 ZINC001507337443 1063117796 /nfs/dbraw/zinc/11/77/96/1063117796.db2.gz DOQOKQICJJKTLL-GDBMZVCRSA-N 0 3 307.397 2.451 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)CCc3cnc[nH]3)CCC[C@@H]12 ZINC001507357136 1063150724 /nfs/dbraw/zinc/15/07/24/1063150724.db2.gz PSKKJJQZCVOIQO-GDBMZVCRSA-N 0 3 322.840 2.208 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CCOCC)[C@H]2C)cc1 ZINC001507378059 1063192588 /nfs/dbraw/zinc/19/25/88/1063192588.db2.gz ZMGIBNLCHYWCSP-YJBOKZPZSA-N 0 3 314.429 2.287 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001480725872 1063257173 /nfs/dbraw/zinc/25/71/73/1063257173.db2.gz SIOROUVRZLQHHL-WBVHZDCISA-N 0 3 322.474 2.498 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001480725868 1063257684 /nfs/dbraw/zinc/25/76/84/1063257684.db2.gz SIOROUVRZLQHHL-NVXWUHKLSA-N 0 3 322.474 2.498 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(c3cccnc3)CC2)C1 ZINC001480732903 1063264143 /nfs/dbraw/zinc/26/41/43/1063264143.db2.gz HRILLSANALPFNF-QGZVFWFLSA-N 0 3 311.429 2.059 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001537047820 1072276883 /nfs/dbraw/zinc/27/68/83/1072276883.db2.gz DFWGUCHJJRHFSU-GOSISDBHSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCN(C)CCN(C(=O)C[C@H](C)n1ccnc1CC)C(C)C ZINC001507802622 1063422876 /nfs/dbraw/zinc/42/28/76/1063422876.db2.gz WRHYYKWXIYQHFJ-INIZCTEOSA-N 0 3 318.465 2.199 20 30 DEEDHN C=CCCCn1c(CC)nnc1N1CCN(CC2CC2)CC1 ZINC001507949192 1063476347 /nfs/dbraw/zinc/47/63/47/1063476347.db2.gz CLLJGUJCZFMCNV-UHFFFAOYSA-N 0 3 303.454 2.339 20 30 DEEDHN C#CCCN(CCNC(=O)c1cccc(C)c1C)CCOC ZINC001508056651 1063522184 /nfs/dbraw/zinc/52/21/84/1063522184.db2.gz XFGLJSPFFHSBPN-UHFFFAOYSA-N 0 3 302.418 2.005 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC001508055299 1063522494 /nfs/dbraw/zinc/52/24/94/1063522494.db2.gz YLYDAXKMMZNHHK-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1ccc(OCC)cc1 ZINC001493159015 1063608339 /nfs/dbraw/zinc/60/83/39/1063608339.db2.gz IVKCFCYJRSLUBT-HNNXBMFYSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCCCN1CCC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001493167866 1063615353 /nfs/dbraw/zinc/61/53/53/1063615353.db2.gz LYCXKSLFZMEEDQ-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2oc(C)nc2C)C1 ZINC001493225233 1063651895 /nfs/dbraw/zinc/65/18/95/1063651895.db2.gz FYSNPHBBAVKKQP-AWEZNQCLSA-N 0 3 305.422 2.442 20 30 DEEDHN CCCN(CCNC(=O)CC(C)(C)O)Cc1cccc(C#N)c1 ZINC001493289167 1063698660 /nfs/dbraw/zinc/69/86/60/1063698660.db2.gz ZDYUFKIWCOTOSR-UHFFFAOYSA-N 0 3 317.433 2.047 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc(Cl)c(Cl)n1C ZINC001493572353 1063870617 /nfs/dbraw/zinc/87/06/17/1063870617.db2.gz YOQQERBEOJRQAH-UHFFFAOYSA-N 0 3 302.205 2.017 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001493931418 1064027209 /nfs/dbraw/zinc/02/72/09/1064027209.db2.gz RPOYMLIERRZFMZ-KSSFIOAISA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccc(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)[nH]1 ZINC001494005597 1064077873 /nfs/dbraw/zinc/07/78/73/1064077873.db2.gz RDEBALLWWLKNQV-KSWOAECYSA-N 0 3 306.797 2.081 20 30 DEEDHN N#Cc1cc(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)c[nH]1 ZINC001494009204 1064079243 /nfs/dbraw/zinc/07/92/43/1064079243.db2.gz QQMFIYCAHZORBW-YJEWXARHSA-N 0 3 306.797 2.081 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1CCN1CC=CCC1 ZINC001539011487 1072358704 /nfs/dbraw/zinc/35/87/04/1072358704.db2.gz FOPCOVIYSSPYKS-MRXNPFEDSA-N 0 3 315.465 2.196 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C)nc1OCCC ZINC001567311756 1064141181 /nfs/dbraw/zinc/14/11/81/1064141181.db2.gz FJONFSKIBIDNHW-UHFFFAOYSA-N 0 3 305.422 2.417 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1ccc(OC)cc1 ZINC001567391503 1064177054 /nfs/dbraw/zinc/17/70/54/1064177054.db2.gz QLGVQWDZYAMWMZ-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001567402531 1064182159 /nfs/dbraw/zinc/18/21/59/1064182159.db2.gz GWLVRSUBQSMXKZ-GFCCVEGCSA-N 0 3 302.340 2.180 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001567405631 1064184703 /nfs/dbraw/zinc/18/47/03/1064184703.db2.gz QODSRQMZFPJXPI-CJNGLKHVSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)COc2ccccc2C(C)C)C1 ZINC001567417999 1064189769 /nfs/dbraw/zinc/18/97/69/1064189769.db2.gz JRNCVXLUEAABRS-MRXNPFEDSA-N 0 3 314.429 2.260 20 30 DEEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001494301369 1064204979 /nfs/dbraw/zinc/20/49/79/1064204979.db2.gz CNZPAVPEWMJRML-CYBMUJFWSA-N 0 3 321.446 2.007 20 30 DEEDHN Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)cn1 ZINC001567466216 1064212198 /nfs/dbraw/zinc/21/21/98/1064212198.db2.gz SYWNKRLXJLQTMY-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN COc1ccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)cc1 ZINC001567595018 1064269655 /nfs/dbraw/zinc/26/96/55/1064269655.db2.gz QUTNBNDWRBAAIW-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN C#CCC[NH2+][C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001567655727 1064320643 /nfs/dbraw/zinc/32/06/43/1064320643.db2.gz BCFURUASZXNNCF-KRWDZBQOSA-N 0 3 308.381 2.476 20 30 DEEDHN O=C(NCC[C@@H]1CCN(CC#Cc2ccccc2)C1)c1ccon1 ZINC001567694917 1064353089 /nfs/dbraw/zinc/35/30/89/1064353089.db2.gz SDVLGJKGVANOAQ-QGZVFWFLSA-N 0 3 323.396 2.168 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)CCCC2CC2)C1 ZINC001567704576 1064361932 /nfs/dbraw/zinc/36/19/32/1064361932.db2.gz BUKKTTNKCIICJO-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN C#Cc1cncc(C(=O)N2CC[C@@H](CN(C)C[C@@H](F)CC)C2)c1 ZINC001567735884 1064386643 /nfs/dbraw/zinc/38/66/43/1064386643.db2.gz GVEFCPAPCDHCJY-RDJZCZTQSA-N 0 3 317.408 2.205 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001494702119 1064422507 /nfs/dbraw/zinc/42/25/07/1064422507.db2.gz GQYLWQKJBJQNRY-HKUYNNGSSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCCCN1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001567818540 1064440296 /nfs/dbraw/zinc/44/02/96/1064440296.db2.gz MNFHDMAXDSTNMD-UHFFFAOYSA-N 0 3 301.434 2.128 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2c(C)cccc2C)C1 ZINC001494754638 1064450938 /nfs/dbraw/zinc/45/09/38/1064450938.db2.gz FUYYIJQSFZWZQF-DLBZAZTESA-N 0 3 314.429 2.032 20 30 DEEDHN C#CCCCCCC(=O)NCC1CN(C[C@@H]2CCCCO2)C1 ZINC001567837702 1064452457 /nfs/dbraw/zinc/45/24/57/1064452457.db2.gz NOTRULURRLPQNI-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001494823327 1064490410 /nfs/dbraw/zinc/49/04/10/1064490410.db2.gz VSXJXBZFMVAFKB-HKUYNNGSSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001567906508 1064498603 /nfs/dbraw/zinc/49/86/03/1064498603.db2.gz KPNPRCVOHGKDCQ-DOTOQJQBSA-N 0 3 302.418 2.483 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001494863315 1064525842 /nfs/dbraw/zinc/52/58/42/1064525842.db2.gz RUTGBSKQNRZMEE-ROUUACIJSA-N 0 3 313.445 2.377 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cn2cc(Cl)cn2)C1 ZINC001494914024 1064571283 /nfs/dbraw/zinc/57/12/83/1064571283.db2.gz RLBLFJPMQUZREU-CQSZACIVSA-N 0 3 310.829 2.035 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1cnc(C)nc1 ZINC001567976212 1064572126 /nfs/dbraw/zinc/57/21/26/1064572126.db2.gz ZZVVSNNLGCLLQY-WBVHZDCISA-N 0 3 304.438 2.372 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1cnc(C)nc1 ZINC001567976210 1064573406 /nfs/dbraw/zinc/57/34/06/1064573406.db2.gz ZZVVSNNLGCLLQY-NVXWUHKLSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)NCC(=O)N[C@@H](C)CC)CC1 ZINC001567975415 1064573601 /nfs/dbraw/zinc/57/36/01/1064573601.db2.gz NTTIBAIZCHLCNZ-HOCLYGCPSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1cnc(CNCC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001568049761 1064618887 /nfs/dbraw/zinc/61/88/87/1064618887.db2.gz FQOVGCAGSKJXOK-GXTWGEPZSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001568050177 1064619109 /nfs/dbraw/zinc/61/91/09/1064619109.db2.gz LSAYXDSBYYXTAS-CYBMUJFWSA-N 0 3 323.824 2.372 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCO[C@H](CC)C2)cc1 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C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C(F)F)ncn1 ZINC001568646792 1065018707 /nfs/dbraw/zinc/01/87/07/1065018707.db2.gz UABYBPBCQTWDIB-SECBINFHSA-N 0 3 318.755 2.265 20 30 DEEDHN Cc1cnc([C@H](C)NC[C@H](C)CNC(=O)C#CC(C)(C)C)cn1 ZINC001495661250 1065038869 /nfs/dbraw/zinc/03/88/69/1065038869.db2.gz LWJBSLWKLDLLLQ-ZFWWWQNUSA-N 0 3 316.449 2.237 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1cc(C)ncn1 ZINC001495735266 1065081427 /nfs/dbraw/zinc/08/14/27/1065081427.db2.gz SRESPLNOFYQTPX-SUMWQHHRSA-N 0 3 304.438 2.229 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)c2ccncc2)c1 ZINC001568806730 1065127795 /nfs/dbraw/zinc/12/77/95/1065127795.db2.gz APUMVZGNLJWDMR-UPHRSURJSA-N 0 3 306.369 2.029 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1cc(F)ccc1Cl ZINC001568923773 1065192858 /nfs/dbraw/zinc/19/28/58/1065192858.db2.gz XOVAEASFEQFWGM-IHWYPQMZSA-N 0 3 324.783 2.005 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccn(C)c1 ZINC001496037474 1065243613 /nfs/dbraw/zinc/24/36/13/1065243613.db2.gz GPNLWRBWAKKWJC-GFCCVEGCSA-N 0 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/nfs/dbraw/zinc/48/29/54/1067482954.db2.gz DSQPOKQBAKFQEA-UHFFFAOYSA-N 0 3 300.387 2.303 20 30 DEEDHN CCN(C)[C@@H]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 ZINC001637913163 1078539920 /nfs/dbraw/zinc/53/99/20/1078539920.db2.gz WEKUCDNPQJSVMJ-ZNFPLGDCSA-N 0 3 300.402 2.287 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001483545114 1078590082 /nfs/dbraw/zinc/59/00/82/1078590082.db2.gz KQZDLRBMGQHLGR-WMLDXEAASA-N 0 3 316.470 2.274 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)C#CC(C)(C)C ZINC001267127998 1078602051 /nfs/dbraw/zinc/60/20/51/1078602051.db2.gz ZLPWLVRISYZRRW-GFCCVEGCSA-N 0 3 315.255 2.429 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H]1CC12CC2 ZINC001418414254 1078610269 /nfs/dbraw/zinc/61/02/69/1078610269.db2.gz AAMTZXZBKDRYFG-GHMZBOCLSA-N 0 3 301.228 2.180 20 30 DEEDHN COCC(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001267155321 1078618082 /nfs/dbraw/zinc/61/80/82/1078618082.db2.gz GEDGZXNCELQPNR-SFHVURJKSA-N 0 3 314.429 2.045 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](OC)c1ccccc1 ZINC001570544587 1067997422 /nfs/dbraw/zinc/99/74/22/1067997422.db2.gz ZGFAAQXFBBBYLJ-DLBZAZTESA-N 0 3 302.418 2.483 20 30 DEEDHN C=C(C)CC[NH2+]CC1CC(NC(=O)c2cccc3n[n-]nc32)C1 ZINC001570562901 1068007538 /nfs/dbraw/zinc/00/75/38/1068007538.db2.gz ZEFFDOXVSCWKTC-UHFFFAOYSA-N 0 3 313.405 2.022 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CC(CNCc2snnc2C)C1 ZINC001570571915 1068013750 /nfs/dbraw/zinc/01/37/50/1068013750.db2.gz LDZCLDMHNAKLFA-ZUEPYMLJSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001570653637 1068055447 /nfs/dbraw/zinc/05/54/47/1068055447.db2.gz ULTSEDWFARZMBC-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC001640228561 1078649591 /nfs/dbraw/zinc/64/95/91/1078649591.db2.gz KCRNPMOLEKLIII-HNNXBMFYSA-N 0 3 306.450 2.302 20 30 DEEDHN CC(C)=CC(=O)NC[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001570695295 1068073046 /nfs/dbraw/zinc/07/30/46/1068073046.db2.gz JDXDQNDYUMVJKO-OAHLLOKOSA-N 0 3 315.417 2.492 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001570701766 1068076958 /nfs/dbraw/zinc/07/69/58/1068076958.db2.gz FBOMWHVJYOZYIQ-CYBMUJFWSA-N 0 3 310.825 2.479 20 30 DEEDHN C=C(C)CCC(=O)N1CCC([C@H](C)NCc2ccn(C)n2)CC1 ZINC001267185291 1078648955 /nfs/dbraw/zinc/64/89/55/1078648955.db2.gz MILYTOSXOYRHPW-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)c1ccccc1F ZINC001570807629 1068121708 /nfs/dbraw/zinc/12/17/08/1068121708.db2.gz PODUCYHHRJGKIA-HNNXBMFYSA-N 0 3 320.408 2.354 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001570845136 1068137272 /nfs/dbraw/zinc/13/72/72/1068137272.db2.gz CWRKXGQVCJPXRL-OAHLLOKOSA-N 0 3 321.424 2.237 20 30 DEEDHN C#CCCCC(=O)N1CC[C@]2(C1)CN(C[C@@H](C)CC)CCO2 ZINC001570884555 1068148447 /nfs/dbraw/zinc/14/84/47/1068148447.db2.gz MWTNKHVCFMMYFX-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCc2ccco2)C(C)(C)C1 ZINC001570888729 1068149310 /nfs/dbraw/zinc/14/93/10/1068149310.db2.gz JXGSRVRGUHZCHB-INIZCTEOSA-N 0 3 320.433 2.241 20 30 DEEDHN CCCC(=O)N1CCO[C@H]([C@H](C)NCC#Cc2ccccc2)C1 ZINC001570965594 1068167421 /nfs/dbraw/zinc/16/74/21/1068167421.db2.gz OESIQOAIWIVYJI-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](OCC)C(C)C)C[C@]2(C)C1 ZINC001571058613 1068177588 /nfs/dbraw/zinc/17/75/88/1068177588.db2.gz BSLQOHLLIGFKNP-YTQUADARSA-N 0 3 320.477 2.241 20 30 DEEDHN C=CCC[NH2+]CCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001571262131 1068206705 /nfs/dbraw/zinc/20/67/05/1068206705.db2.gz SOXVNBRTAWOXHJ-GFCCVEGCSA-N 0 3 301.394 2.022 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(=O)C(C)(C)C)NCc1ccc(C#N)s1 ZINC001571380910 1068263842 /nfs/dbraw/zinc/26/38/42/1068263842.db2.gz YEENLTOGRWPGNM-NSHDSACASA-N 0 3 321.446 2.171 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1CC1(F)F)NCC#Cc1ccccc1 ZINC001571385671 1068265631 /nfs/dbraw/zinc/26/56/31/1068265631.db2.gz LSGIHAHVDCSVDC-UKRRQHHQSA-N 0 3 306.356 2.130 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001571397798 1068273758 /nfs/dbraw/zinc/27/37/58/1068273758.db2.gz HLBYAENZBSVQAK-WBVHZDCISA-N 0 3 314.429 2.239 20 30 DEEDHN C=CCCC(=O)N1C[C@H](NCC(=O)NC(CC)CC)C(C)(C)C1 ZINC001571554586 1068417475 /nfs/dbraw/zinc/41/74/75/1068417475.db2.gz LAAAUCQQJZMRDY-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cnn(C)c1)C(C)(C)C ZINC001571625989 1068448367 /nfs/dbraw/zinc/44/83/67/1068448367.db2.gz PJHUWVYUIAQSBT-HNNXBMFYSA-N 0 3 306.454 2.397 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(NCc2n[nH]c(C(C)C)n2)C1 ZINC001571661593 1068466746 /nfs/dbraw/zinc/46/67/46/1068466746.db2.gz URBSANAGNCSGBJ-UHFFFAOYSA-N 0 3 319.453 2.363 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001512127846 1068479217 /nfs/dbraw/zinc/47/92/17/1068479217.db2.gz UHHSXPOHDLCETJ-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@H](C)CO2)c(F)c1 ZINC001571702987 1068491415 /nfs/dbraw/zinc/49/14/15/1068491415.db2.gz POCRLXCMAQAZAA-LRDDRELGSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001483656470 1078748892 /nfs/dbraw/zinc/74/88/92/1078748892.db2.gz PBQHMXUQBHVRKT-KGLIPLIRSA-N 0 3 319.453 2.192 20 30 DEEDHN CN(C)CC#CCNC(=O)c1cc(Oc2ccccc2)ccc1O ZINC001643409790 1078798032 /nfs/dbraw/zinc/79/80/32/1078798032.db2.gz UKWYKKFUVAPVJW-UHFFFAOYSA-N 0 3 324.380 2.479 20 30 DEEDHN CC(C)Oc1ccccc1CNCCN(C)C(=O)C#CC1CC1 ZINC001267371830 1078802239 /nfs/dbraw/zinc/80/22/39/1078802239.db2.gz WWLTVDQPOZJYRS-UHFFFAOYSA-N 0 3 314.429 2.435 20 30 DEEDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Nc1cccc(CC#N)n1 ZINC001573718197 1069077254 /nfs/dbraw/zinc/07/72/54/1069077254.db2.gz JOPMLWNGRUTUGC-GXTWGEPZSA-N 0 3 301.394 2.142 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc3n(n2)CCC3)C[C@@H]1C ZINC001671217152 1078862741 /nfs/dbraw/zinc/86/27/41/1078862741.db2.gz IIWZFEFGLRCRLZ-LSDHHAIUSA-N 0 3 316.449 2.265 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)CN(C)CCC)[C@H]1C ZINC001520934966 1069190847 /nfs/dbraw/zinc/19/08/47/1069190847.db2.gz KCMRPXWGLDRRLT-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001574852417 1069277663 /nfs/dbraw/zinc/27/76/63/1069277663.db2.gz SEWBWVRXBDIQCU-ZDUSSCGKSA-N 0 3 300.736 2.319 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC001574902785 1069293176 /nfs/dbraw/zinc/29/31/76/1069293176.db2.gz GVPQSBWTFLRKKH-RISCZKNCSA-N 0 3 304.394 2.038 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(C2(C)OCCO2)c1 ZINC001574908514 1069294517 /nfs/dbraw/zinc/29/45/17/1069294517.db2.gz QHVMUOADJXJISY-MRXNPFEDSA-N 0 3 318.417 2.206 20 30 DEEDHN C=CCN(C)c1nnc(C)n1CCN(C)Cc1ccc(F)cc1 ZINC001540049275 1072396603 /nfs/dbraw/zinc/39/66/03/1072396603.db2.gz JPCMZVLHBWQYBA-UHFFFAOYSA-N 0 3 317.412 2.480 20 30 DEEDHN C#CCN(C)CCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC001645493345 1078903644 /nfs/dbraw/zinc/90/36/44/1078903644.db2.gz NTHMVQAKVZHKAN-UHFFFAOYSA-N 0 3 310.781 2.251 20 30 DEEDHN CCN(CCNC(=O)C(=O)/C=C/c1ccc(F)cc1)C1CC1 ZINC001542802063 1072466027 /nfs/dbraw/zinc/46/60/27/1072466027.db2.gz ITJDKGURYRDXHD-BJMVGYQFSA-N 0 3 304.365 2.009 20 30 DEEDHN CCCCCCCN1CCC[C@]12CCN([C@@H](CC)C(N)=O)C2=O ZINC001272478355 1078912692 /nfs/dbraw/zinc/91/26/92/1078912692.db2.gz JFTWEKXNKPFGFJ-MAUKXSAKSA-N 0 3 323.481 2.288 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1coc(C2CCCCC2)n1 ZINC001480955152 1078924648 /nfs/dbraw/zinc/92/46/48/1078924648.db2.gz XXWMRIDPRABZJZ-UHFFFAOYSA-N 0 3 303.406 2.407 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](O)CNCc2ccccc2F)CC1 ZINC001272512084 1078940829 /nfs/dbraw/zinc/94/08/29/1078940829.db2.gz ISFLDNDQPFASKV-MRXNPFEDSA-N 0 3 320.408 2.139 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(C)n[nH]3)CC2)C1=O ZINC001272542645 1078954415 /nfs/dbraw/zinc/95/44/15/1078954415.db2.gz CYHKAXNIKMJBLX-QGZVFWFLSA-N 0 3 302.422 2.109 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H]1CCN(Cc2conc2CC)C1 ZINC001267525016 1078955258 /nfs/dbraw/zinc/95/52/58/1078955258.db2.gz XMTMPXMOPUPDTE-OAHLLOKOSA-N 0 3 317.433 2.369 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3cc(C)[nH]n3)CC2)C1=O ZINC001272543565 1078955833 /nfs/dbraw/zinc/95/58/33/1078955833.db2.gz JWKVXZLSOPVBPJ-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2C[C@@H]2OCC)c(F)c1 ZINC001279703495 1078964566 /nfs/dbraw/zinc/96/45/66/1078964566.db2.gz GOCLMRCMIUBGIO-ZBFHGGJFSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)c2cccnc2)C1 ZINC001267539429 1078969877 /nfs/dbraw/zinc/96/98/77/1078969877.db2.gz NMZVKEJLTPGKSQ-KRWDZBQOSA-N 0 3 317.433 2.211 20 30 DEEDHN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N(C)C)ccc1C#N ZINC001645725911 1078973814 /nfs/dbraw/zinc/97/38/14/1078973814.db2.gz NEEQDGCAYMDJES-HOTGVXAUSA-N 0 3 321.446 2.018 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccncc1 ZINC001272662395 1079073280 /nfs/dbraw/zinc/07/32/80/1079073280.db2.gz JJPRJNDIGNGMRK-UHFFFAOYSA-N 0 3 307.397 2.467 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(O)cc(Cl)c3)C2)C1=O ZINC001272673067 1079108427 /nfs/dbraw/zinc/10/84/27/1079108427.db2.gz LFSXUSSTWNLBCW-QGZVFWFLSA-N 0 3 318.804 2.103 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1cc(C)ccc1F ZINC001481039068 1079109238 /nfs/dbraw/zinc/10/92/38/1079109238.db2.gz JTHGWAGDXITPKA-CQSZACIVSA-N 0 3 306.381 2.280 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1sc(C)nc1C ZINC001481048696 1079124242 /nfs/dbraw/zinc/12/42/42/1079124242.db2.gz BNRNYZYFUJVYMA-AWEZNQCLSA-N 0 3 307.463 2.459 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001483796095 1079125738 /nfs/dbraw/zinc/12/57/38/1079125738.db2.gz BJOBDWDZZMUNAM-CVEARBPZSA-N 0 3 306.450 2.091 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001481062770 1079143485 /nfs/dbraw/zinc/14/34/85/1079143485.db2.gz GBBRMBCFJKESOV-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CN(C)CCF)CC1 ZINC001267602764 1079147461 /nfs/dbraw/zinc/14/74/61/1079147461.db2.gz KPYQNJSOCFPFJK-HOTGVXAUSA-N 0 3 312.429 2.108 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001481112162 1079195852 /nfs/dbraw/zinc/19/58/52/1079195852.db2.gz HKNUOMQIPQCLIX-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001481123943 1079223931 /nfs/dbraw/zinc/22/39/31/1079223931.db2.gz MBOCGGNZNNYLIN-CABCVRRESA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN(C(=O)c1[nH]cnc1CC)C1CCN(CC(=C)C)CC1 ZINC001483989193 1079228418 /nfs/dbraw/zinc/22/84/18/1079228418.db2.gz ATVKGQHAPVWVSV-UHFFFAOYSA-N 0 3 314.433 2.088 20 30 DEEDHN C=CCCC(=O)N[C@@H](CNCc1ccnn1C)C1CCCC1 ZINC001483996816 1079234328 /nfs/dbraw/zinc/23/43/28/1079234328.db2.gz PQHLLQLKSHPOBZ-INIZCTEOSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCN(CCC)CCNC(=O)C(C)(C)c1c(C)noc1C ZINC001481144940 1079252295 /nfs/dbraw/zinc/25/22/95/1079252295.db2.gz UHUDRMXMCAKRRU-UHFFFAOYSA-N 0 3 305.422 2.030 20 30 DEEDHN C=CCCCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001267627534 1079304501 /nfs/dbraw/zinc/30/45/01/1079304501.db2.gz GWQMGPNQFSJABV-INIZCTEOSA-N 0 3 315.417 2.172 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1CC12CC(OCC)C2)C1CC1 ZINC001481186242 1079307323 /nfs/dbraw/zinc/30/73/23/1079307323.db2.gz MUWWULZRJPGSNU-UPTPFMHGSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)Cc2cccc(F)c2)CC1 ZINC001484145489 1079322800 /nfs/dbraw/zinc/32/28/00/1079322800.db2.gz BPJKALXLARNUPK-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCc2cncs2)C1 ZINC001484167030 1079340622 /nfs/dbraw/zinc/34/06/22/1079340622.db2.gz AGBFELQDRBNDMM-QGZVFWFLSA-N 0 3 319.474 2.317 20 30 DEEDHN C=CC(C)(C)NC(=O)Cc1csc(SCCN(C)C)n1 ZINC001647752775 1074981362 /nfs/dbraw/zinc/98/13/62/1074981362.db2.gz ALECFNKCCYQHQD-UHFFFAOYSA-N 0 3 313.492 2.420 20 30 DEEDHN CCCCCC[C@@H](C)C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001566774059 1075001680 /nfs/dbraw/zinc/00/16/80/1075001680.db2.gz ARFJUOQZPFATGJ-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN CCCC(=O)NCC1(NCc2ccc(C#N)s2)CCOCC1 ZINC001484177580 1079348074 /nfs/dbraw/zinc/34/80/74/1079348074.db2.gz BSJMJTDGQGJUBM-UHFFFAOYSA-N 0 3 321.446 2.175 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H]1CCN(C2CCCCC2)C1=O ZINC001559797656 1075128613 /nfs/dbraw/zinc/12/86/13/1075128613.db2.gz VXXSVQWZOODEOA-KRWDZBQOSA-N 0 3 307.482 2.360 20 30 DEEDHN C#C[C@@H](NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1 ZINC001559769720 1075129173 /nfs/dbraw/zinc/12/91/73/1075129173.db2.gz RTWNWIZIUBQDKH-OLZOCXBDSA-N 0 3 309.312 2.321 20 30 DEEDHN Cc1conc1C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001565854755 1075197857 /nfs/dbraw/zinc/19/78/57/1075197857.db2.gz PJCVYVSSCCRROP-CALCHBBNSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C1CC(C)(C(=O)NCc2nc(C[NH2+]CCCC)cc(=O)[n-]2)C1 ZINC001565991541 1075213064 /nfs/dbraw/zinc/21/30/64/1075213064.db2.gz KXOVQTXHGSJRTB-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCOC)C(C)(C)[C@@H]21 ZINC001565993401 1075213619 /nfs/dbraw/zinc/21/36/19/1075213619.db2.gz RXUYMFLVEUYKPW-KBAYOESNSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCOCC ZINC001565993660 1075214286 /nfs/dbraw/zinc/21/42/86/1075214286.db2.gz VMHSXQUCHOKPIC-HYVNUMGLSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)n2ccc(C)n2)[C@H]1CC ZINC001566019518 1075217297 /nfs/dbraw/zinc/21/72/97/1075217297.db2.gz RVCAOAINEBQAMY-OWCLPIDISA-N 0 3 304.438 2.298 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](OC)c2ccc(F)cc2)[C@H]1C ZINC001566116861 1075230932 /nfs/dbraw/zinc/23/09/32/1075230932.db2.gz BFRXVZAJUXVLMM-XOKHGSTOSA-N 0 3 318.392 2.116 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1cccc2ncccc12 ZINC001566473996 1075252981 /nfs/dbraw/zinc/25/29/81/1075252981.db2.gz JNJDYJINPDIYCM-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001566524936 1075269738 /nfs/dbraw/zinc/26/97/38/1075269738.db2.gz GDMHMHOALXPHPV-ZBFHGGJFSA-N 0 3 300.402 2.388 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001267694407 1079383114 /nfs/dbraw/zinc/38/31/14/1079383114.db2.gz JXWXDKBQELGBID-UHFFFAOYSA-N 0 3 309.413 2.090 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@H]2CCN(CC/C=C/CC)C2)nn1 ZINC001566674725 1075314075 /nfs/dbraw/zinc/31/40/75/1075314075.db2.gz ACWSOOLAOCMNDU-ZKKXHLJNSA-N 0 3 317.437 2.015 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CC(C)C)OC)CC1 ZINC001566692651 1075318514 /nfs/dbraw/zinc/31/85/14/1075318514.db2.gz JRPRTRKTDQCWHR-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCc2ccsc2)CC1 ZINC001566689124 1075318583 /nfs/dbraw/zinc/31/85/83/1075318583.db2.gz HDMPQUDOPUGMBR-OAHLLOKOSA-N 0 3 302.443 2.285 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1ccc(F)nc1 ZINC001566785282 1075343719 /nfs/dbraw/zinc/34/37/19/1075343719.db2.gz KJPNPTNYTCLHSV-QAQDUYKDSA-N 0 3 323.371 2.123 20 30 DEEDHN Cc1nocc1CN[C@H]1C[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001566813816 1075350984 /nfs/dbraw/zinc/35/09/84/1075350984.db2.gz OXDCWHROYZQNGA-IYARVYRRSA-N 0 3 323.396 2.162 20 30 DEEDHN Cc1ncccc1CN1CCC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001566868238 1075368157 /nfs/dbraw/zinc/36/81/57/1075368157.db2.gz IBIPWMKAUJAMEJ-QGZVFWFLSA-N 0 3 313.445 2.378 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001566892453 1075375045 /nfs/dbraw/zinc/37/50/45/1075375045.db2.gz NMZBWBNNMYMPPU-HZPDHXFCSA-N 0 3 314.433 2.169 20 30 DEEDHN N#Cc1ccc(Cl)cc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001650081544 1079401403 /nfs/dbraw/zinc/40/14/03/1079401403.db2.gz BFDLDNGXDAUIEC-GJZGRUSLSA-N 0 3 305.809 2.247 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(F)nc1)NCc1ccc(C#N)s1 ZINC001567003560 1075413061 /nfs/dbraw/zinc/41/30/61/1075413061.db2.gz ACHOOQHTDLFGBR-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3ccccc3n2CC)C1 ZINC001567109563 1075433514 /nfs/dbraw/zinc/43/35/14/1075433514.db2.gz UMTZHELIHQBDNP-INIZCTEOSA-N 0 3 309.413 2.489 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001567127465 1075438379 /nfs/dbraw/zinc/43/83/79/1075438379.db2.gz MKZKZXWZDBNIDL-OAHLLOKOSA-N 0 3 304.438 2.197 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329424404 1148893247 /nfs/dbraw/zinc/89/32/47/1148893247.db2.gz CBTMEMGPYOHAGO-OAHLLOKOSA-N 0 3 302.418 2.435 20 30 DEEDHN Cc1ccc(CNCCN(C)C(=O)c2c[nH]c(C#N)c2)cc1F ZINC001481222373 1079433264 /nfs/dbraw/zinc/43/32/64/1079433264.db2.gz QMCQNKARNPSGDM-UHFFFAOYSA-N 0 3 314.364 2.196 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001368645139 1148547228 /nfs/dbraw/zinc/54/72/28/1148547228.db2.gz WJUPUZVFUITXKX-DZGCQCFKSA-N 0 3 324.856 2.073 20 30 DEEDHN CCN(CCNC(=O)c1cc(F)c[nH]1)Cc1ccc(C#N)cc1 ZINC001492993062 1079477881 /nfs/dbraw/zinc/47/78/81/1079477881.db2.gz PDNVWCDBCOLRGV-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001267772039 1079479286 /nfs/dbraw/zinc/47/92/86/1079479286.db2.gz RVRBIBKUFPLHDY-CHWSQXEVSA-N 0 3 322.371 2.310 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)OCc2ccncc2)C1 ZINC001267772208 1079480179 /nfs/dbraw/zinc/48/01/79/1079480179.db2.gz TZSNVZZFFYHAKZ-NVXWUHKLSA-N 0 3 317.433 2.096 20 30 DEEDHN CC#CCNCCN(C)C(=O)C1(c2ccc(F)cc2)CCC1 ZINC001481264554 1079490276 /nfs/dbraw/zinc/49/02/76/1079490276.db2.gz CZJDCADDSCPIGG-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN O=C(C#CC1CC[NH2+]CC1)N([O-])CCCCc1ccccc1 ZINC001580472900 1075932872 /nfs/dbraw/zinc/93/28/72/1075932872.db2.gz DIAYPMIOVLNMSZ-UHFFFAOYSA-N 0 3 300.402 2.230 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001267788098 1079495872 /nfs/dbraw/zinc/49/58/72/1079495872.db2.gz PWIXZINIFVUIJW-INIZCTEOSA-N 0 3 318.465 2.078 20 30 DEEDHN COCCSCCCN1CCc2c(C#N)c(N)sc2C1 ZINC001620642474 1076046831 /nfs/dbraw/zinc/04/68/31/1076046831.db2.gz WQSIGYYUXJTNRV-UHFFFAOYSA-N 0 3 311.476 2.330 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)CN(CC)CC ZINC001581254371 1076059514 /nfs/dbraw/zinc/05/95/14/1076059514.db2.gz KTKPEXSMTVIQBH-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CC[N@@H+](CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588419392 1076447903 /nfs/dbraw/zinc/44/79/03/1076447903.db2.gz HMUSCORHVFJYLY-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=C(C)CC[N@H+](CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588419392 1076447904 /nfs/dbraw/zinc/44/79/04/1076447904.db2.gz HMUSCORHVFJYLY-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=C(C)CC[N@@H+](CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588419392 1076447906 /nfs/dbraw/zinc/44/79/06/1076447906.db2.gz HMUSCORHVFJYLY-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=C(C)CC[N@H+](CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588419392 1076447907 /nfs/dbraw/zinc/44/79/07/1076447907.db2.gz HMUSCORHVFJYLY-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CCC[C@@H](CC)[NH2+]CCNc1ncccc1-c1nnn[n-]1 ZINC001588577911 1076454779 /nfs/dbraw/zinc/45/47/79/1076454779.db2.gz QWIWNBKKRJTXMC-GFCCVEGCSA-N 0 3 301.398 2.008 20 30 DEEDHN C=CCC[C@@H](CC)[NH2+]CCNc1ncccc1-c1nn[n-]n1 ZINC001588577911 1076454783 /nfs/dbraw/zinc/45/47/83/1076454783.db2.gz QWIWNBKKRJTXMC-GFCCVEGCSA-N 0 3 301.398 2.008 20 30 DEEDHN C=CCCCC[C@@H](C)[NH2+]CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588593709 1076456118 /nfs/dbraw/zinc/45/61/18/1076456118.db2.gz HNZFIPKDSDKCLH-CYBMUJFWSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CCCCC[C@@H](C)[NH2+]CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588593709 1076456121 /nfs/dbraw/zinc/45/61/21/1076456121.db2.gz HNZFIPKDSDKCLH-CYBMUJFWSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CCCCC[NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588595937 1076456157 /nfs/dbraw/zinc/45/61/57/1076456157.db2.gz AXLFSTMQVDQUSD-UHFFFAOYSA-N 0 3 314.393 2.141 20 30 DEEDHN C=CCCCC[NH2+]CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588595937 1076456159 /nfs/dbraw/zinc/45/61/59/1076456159.db2.gz AXLFSTMQVDQUSD-UHFFFAOYSA-N 0 3 314.393 2.141 20 30 DEEDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591009721 1076703115 /nfs/dbraw/zinc/70/31/15/1076703115.db2.gz FEYAPRMORBQWRD-OLZOCXBDSA-N 0 3 311.393 2.023 20 30 DEEDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591009721 1076703117 /nfs/dbraw/zinc/70/31/17/1076703117.db2.gz FEYAPRMORBQWRD-OLZOCXBDSA-N 0 3 311.393 2.023 20 30 DEEDHN COc1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001591532727 1076753502 /nfs/dbraw/zinc/75/35/02/1076753502.db2.gz BMBPOTXZKXJQEJ-NSHDSACASA-N 0 3 314.393 2.293 20 30 DEEDHN COc1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001591532727 1076753507 /nfs/dbraw/zinc/75/35/07/1076753507.db2.gz BMBPOTXZKXJQEJ-NSHDSACASA-N 0 3 314.393 2.293 20 30 DEEDHN CSc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001591710867 1076777061 /nfs/dbraw/zinc/77/70/61/1076777061.db2.gz DZLJEJXWDBNURM-ZYHUDNBSSA-N 0 3 314.418 2.370 20 30 DEEDHN CSc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001591710867 1076777063 /nfs/dbraw/zinc/77/70/63/1076777063.db2.gz DZLJEJXWDBNURM-ZYHUDNBSSA-N 0 3 314.418 2.370 20 30 DEEDHN N#CC1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001592671888 1076949464 /nfs/dbraw/zinc/94/94/64/1076949464.db2.gz ZJFHYWYIPZUBEC-UHFFFAOYSA-N 0 3 314.368 2.425 20 30 DEEDHN N#CC1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001592671888 1076949467 /nfs/dbraw/zinc/94/94/67/1076949467.db2.gz ZJFHYWYIPZUBEC-UHFFFAOYSA-N 0 3 314.368 2.425 20 30 DEEDHN C=C(CC(C)C)C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001598462015 1077112523 /nfs/dbraw/zinc/11/25/23/1077112523.db2.gz KAKATFUKJNDRNC-UHFFFAOYSA-N 0 3 312.454 2.321 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1ncc(Cl)s1 ZINC001329489818 1148899996 /nfs/dbraw/zinc/89/99/96/1148899996.db2.gz XBADNDHGQPEVSZ-SNVBAGLBSA-N 0 3 317.842 2.049 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001650442434 1079627375 /nfs/dbraw/zinc/62/73/75/1079627375.db2.gz RFUJZMJOQSPZKB-MGPQQGTHSA-N 0 3 324.388 2.057 20 30 DEEDHN COCC#CCN[C@@H](C)c1ccc(CNC(=O)C2CCC2)cc1 ZINC001484556844 1079658864 /nfs/dbraw/zinc/65/88/64/1079658864.db2.gz KVBZHWILMMNADV-HNNXBMFYSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)nnc2C)cc1 ZINC001484558768 1079659583 /nfs/dbraw/zinc/65/95/83/1079659583.db2.gz KWGBBVDQUZZGKC-AWEZNQCLSA-N 0 3 322.412 2.307 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccn(CC)n2)cc1 ZINC001484562831 1079665367 /nfs/dbraw/zinc/66/53/67/1079665367.db2.gz HIYGMPCBZQHAAL-AWEZNQCLSA-N 0 3 310.401 2.117 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CCOc3ccccc3)C2)CC1 ZINC001484581182 1079669294 /nfs/dbraw/zinc/66/92/94/1079669294.db2.gz BCXCPIRNKYZYAT-UHFFFAOYSA-N 0 3 312.413 2.013 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)c1cnoc1C1CC1 ZINC001481298139 1079680035 /nfs/dbraw/zinc/68/00/35/1079680035.db2.gz LEKBAIPBZGSCIB-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)CNCc2cc(C)n(C)n2)CC1 ZINC001268001613 1079683390 /nfs/dbraw/zinc/68/33/90/1079683390.db2.gz GBSCXVPYJUMXHG-CQSZACIVSA-N 0 3 318.465 2.317 20 30 DEEDHN Cc1ccc(CC(=O)N(C)CCNCc2ccc(C#N)cc2)cn1 ZINC001481314272 1079709522 /nfs/dbraw/zinc/70/95/22/1079709522.db2.gz CRWOZRPPJKNWPL-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN CC#CCNC1(CNC(=O)COCc2ccccc2C)CCC1 ZINC001484655148 1079711293 /nfs/dbraw/zinc/71/12/93/1079711293.db2.gz MXYFHZOSWGBJFM-UHFFFAOYSA-N 0 3 314.429 2.163 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)[C@H](C)C3CC3)C2)CC1 ZINC001484702242 1079729259 /nfs/dbraw/zinc/72/92/59/1079729259.db2.gz VXGPVNWDXYBBJB-SJLPKXTDSA-N 0 3 319.493 2.217 20 30 DEEDHN COCCC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001484705625 1079732054 /nfs/dbraw/zinc/73/20/54/1079732054.db2.gz WSHWYAPYJAPBSK-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001484708601 1079743110 /nfs/dbraw/zinc/74/31/10/1079743110.db2.gz UBTXQNIVUARRKC-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001650596656 1079749244 /nfs/dbraw/zinc/74/92/44/1079749244.db2.gz PAKJLWFAQFKYND-LBPRGKRZSA-N 0 3 300.406 2.284 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001484719730 1079755480 /nfs/dbraw/zinc/75/54/80/1079755480.db2.gz CTCQTTAGYRSNLQ-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cc(C)nn1CC)c1ccccc1 ZINC001481370739 1079762375 /nfs/dbraw/zinc/76/23/75/1079762375.db2.gz KVESGBVSIUMTEX-MRXNPFEDSA-N 0 3 312.417 2.458 20 30 DEEDHN CN(C)CC#CCNc1nc(-c2cc(F)cc(F)c2)ns1 ZINC001651315311 1079802768 /nfs/dbraw/zinc/80/27/68/1079802768.db2.gz OLCLYTQQXDSOTP-UHFFFAOYSA-N 0 3 308.357 2.460 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CCNC(=O)CC)C1 ZINC001481415558 1079811266 /nfs/dbraw/zinc/81/12/66/1079811266.db2.gz ZHPXLNCEXFCZSE-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccccc2)CCOCC1 ZINC001484865495 1079824706 /nfs/dbraw/zinc/82/47/06/1079824706.db2.gz KMSMWXNJWJBCER-UHFFFAOYSA-N 0 3 322.836 2.237 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H](NCc2cnn(C)c2)[C@@H](C)C1 ZINC001484889482 1079839039 /nfs/dbraw/zinc/83/90/39/1079839039.db2.gz MPVWSXHIAPAUAE-YOEHRIQHSA-N 0 3 316.449 2.125 20 30 DEEDHN Cc1ncccc1CN1CC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001484931245 1079872269 /nfs/dbraw/zinc/87/22/69/1079872269.db2.gz GMBLIPZJGXTVEA-CZUORRHYSA-N 0 3 314.433 2.266 20 30 DEEDHN COCc1cccc(CNC2(CNC(=O)C#CC(C)C)CC2)c1 ZINC001670776352 1079873429 /nfs/dbraw/zinc/87/34/29/1079873429.db2.gz DYFQXECQVLWLEA-UHFFFAOYSA-N 0 3 314.429 2.231 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccc(C)cc2)C[C@@H]1C ZINC001484985754 1079898903 /nfs/dbraw/zinc/89/89/03/1079898903.db2.gz KLQMOFSPHJKFGJ-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1cc(C)n(C)n1 ZINC001484998692 1079906982 /nfs/dbraw/zinc/90/69/82/1079906982.db2.gz WKMSYNHEZAJTRG-SUMWQHHRSA-N 0 3 306.454 2.315 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001485021338 1079916577 /nfs/dbraw/zinc/91/65/77/1079916577.db2.gz YYXJPCJVRWVZOJ-DLBZAZTESA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001481468708 1079923351 /nfs/dbraw/zinc/92/33/51/1079923351.db2.gz DQVGEHAIIXOKSL-SQNIBIBYSA-N 0 3 319.493 2.075 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001481471001 1079925066 /nfs/dbraw/zinc/92/50/66/1079925066.db2.gz IYMZJTHMCOBKGB-QZTJIDSGSA-N 0 3 321.509 2.465 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H](C)OC ZINC001485043047 1079927236 /nfs/dbraw/zinc/92/72/36/1079927236.db2.gz DZHBDMBODPQTTA-LSBZLQRGSA-N 0 3 314.429 2.197 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)CCc1ccnn1C ZINC001485057164 1079947899 /nfs/dbraw/zinc/94/78/99/1079947899.db2.gz CUFDWYVUCFGDDU-QGZVFWFLSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCCC[NH2+]CC1CC(NC(=O)c2cccc3n[n-]nc32)C1 ZINC001485094100 1079976869 /nfs/dbraw/zinc/97/68/69/1079976869.db2.gz HPJUIPAWDGOJHC-UHFFFAOYSA-N 0 3 313.405 2.022 20 30 DEEDHN C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1[O-] ZINC001655346281 1079995114 /nfs/dbraw/zinc/99/51/14/1079995114.db2.gz FZEFHEACFJIAAS-CYBMUJFWSA-N 0 3 309.369 2.231 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C(C)(C)C1CCCC1 ZINC001268068161 1080013859 /nfs/dbraw/zinc/01/38/59/1080013859.db2.gz KAYAIVHOYQBFNG-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN CCn1nccc1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001485140010 1080024008 /nfs/dbraw/zinc/02/40/08/1080024008.db2.gz YGOZOGSZNPMAHJ-CVEARBPZSA-N 0 3 324.428 2.051 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C1(C2CCC2)CCC1 ZINC001268075944 1080024028 /nfs/dbraw/zinc/02/40/28/1080024028.db2.gz OGGFEUVMGUMSAQ-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001481538299 1080027229 /nfs/dbraw/zinc/02/72/29/1080027229.db2.gz IMPBZTSZRJJMHF-HNNXBMFYSA-N 0 3 319.453 2.239 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001656081189 1080036484 /nfs/dbraw/zinc/03/64/84/1080036484.db2.gz WMBWZGDCIWPFSG-CYBMUJFWSA-N 0 3 324.856 2.494 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1cc(F)cc(F)c1 ZINC001656113025 1080049040 /nfs/dbraw/zinc/04/90/40/1080049040.db2.gz OTMUMPIKJPFBMR-HNNXBMFYSA-N 0 3 324.371 2.452 20 30 DEEDHN Cc1cc(CNC2CCC(N(C)C(=O)C#CC3CC3)CC2)on1 ZINC001485238175 1080083902 /nfs/dbraw/zinc/08/39/02/1080083902.db2.gz PXUMTAKUZIBXQE-UHFFFAOYSA-N 0 3 315.417 2.256 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)N(C)CCc1csc(C)n1 ZINC001485298191 1080126535 /nfs/dbraw/zinc/12/65/35/1080126535.db2.gz SYUGOEUROZJOOD-CYBMUJFWSA-N 0 3 307.463 2.234 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001485299475 1080127951 /nfs/dbraw/zinc/12/79/51/1080127951.db2.gz KFGGATFZVDRIIF-CQSZACIVSA-N 0 3 322.836 2.316 20 30 DEEDHN C=CCC[C@H](O)CN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC001658859916 1080221528 /nfs/dbraw/zinc/22/15/28/1080221528.db2.gz FSMORDVWMYHMCA-YJBOKZPZSA-N 0 3 321.417 2.390 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001268242647 1080224610 /nfs/dbraw/zinc/22/46/10/1080224610.db2.gz AZQLXUVDRZCUOU-KRWDZBQOSA-N 0 3 314.429 2.193 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001268244019 1080227860 /nfs/dbraw/zinc/22/78/60/1080227860.db2.gz VDXAAHLJDDEFDB-MRXNPFEDSA-N 0 3 302.418 2.356 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cn2cccc(C)c2n1 ZINC001268253710 1080233009 /nfs/dbraw/zinc/23/30/09/1080233009.db2.gz XLEJTFJAKDSBMD-UHFFFAOYSA-N 0 3 314.433 2.152 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C1(c2cccc(F)c2)CC1 ZINC001268253438 1080233045 /nfs/dbraw/zinc/23/30/45/1080233045.db2.gz NPFLOICGYZHFFE-UHFFFAOYSA-N 0 3 302.393 2.271 20 30 DEEDHN CCC(CC)CC(=O)N1CC[C@@H]2[C@@H](CCN2CC#CCOC)C1 ZINC001268268228 1080245964 /nfs/dbraw/zinc/24/59/64/1080245964.db2.gz QKIBBEQXPGQPLN-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1cc(C)n(C)n1 ZINC001268276108 1080255120 /nfs/dbraw/zinc/25/51/20/1080255120.db2.gz IMVBPVOJBJOEAF-RDJZCZTQSA-N 0 3 318.465 2.459 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)C1CN(CC2=CCCCC2)C1 ZINC001485504630 1080266701 /nfs/dbraw/zinc/26/67/01/1080266701.db2.gz OKUPYCSVAFKAGE-KDOFPFPSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001481666091 1080271605 /nfs/dbraw/zinc/27/16/05/1080271605.db2.gz BUBUJXAZHJGGHU-XIRDDKMYSA-N 0 3 306.450 2.443 20 30 DEEDHN C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCCN([O-])C1=O ZINC001660167863 1080280774 /nfs/dbraw/zinc/28/07/74/1080280774.db2.gz VMZHKBBTAZCSBX-SUMWQHHRSA-N 0 3 302.418 2.466 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCC(=O)N(CC)CC)C(C)(C)C1 ZINC001485576842 1080307261 /nfs/dbraw/zinc/30/72/61/1080307261.db2.gz GGGPIDLHAITPBO-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(C)Cc2cccnc2C)cn1 ZINC001660371689 1080319457 /nfs/dbraw/zinc/31/94/57/1080319457.db2.gz DDNUNRZWGCNHSN-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCc1cccc(F)c1F ZINC001660420301 1080329437 /nfs/dbraw/zinc/32/94/37/1080329437.db2.gz IKKXYNHSQPBWTG-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)NCc2cc(C)ns2)C1 ZINC001485637162 1080337007 /nfs/dbraw/zinc/33/70/07/1080337007.db2.gz PXEHKLHFXFSKBM-UKRRQHHQSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CC(C)(C)C(F)(F)F)[C@@H]2C1 ZINC001485627762 1080340304 /nfs/dbraw/zinc/34/03/04/1080340304.db2.gz TZUNXDYUMJPSSE-XYYAHUGASA-N 0 3 316.367 2.282 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC(C)C)OC)C[C@]2(C)C1 ZINC001485668890 1080355978 /nfs/dbraw/zinc/35/59/78/1080355978.db2.gz JBKLLVKKHDMOLB-QRQLOZEOSA-N 0 3 320.477 2.241 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)CC(F)(F)F ZINC001268350117 1080356879 /nfs/dbraw/zinc/35/68/79/1080356879.db2.gz TYPQGHKJMNWITN-MRVPVSSYSA-N 0 3 317.149 2.332 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001485713071 1080395453 /nfs/dbraw/zinc/39/54/53/1080395453.db2.gz YCBVPQDQAVTHSV-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001660822041 1080403653 /nfs/dbraw/zinc/40/36/53/1080403653.db2.gz BQHAPMXMUCCUFW-GJZGRUSLSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H](NCc2cncs2)C1)OCC ZINC001661314469 1080469030 /nfs/dbraw/zinc/46/90/30/1080469030.db2.gz BNKPKAPEQUNANF-DZGCQCFKSA-N 0 3 323.462 2.205 20 30 DEEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(CCc2ccns2)C1 ZINC001481765755 1080481853 /nfs/dbraw/zinc/48/18/53/1080481853.db2.gz XWXDKSJJXSCFOQ-HNNXBMFYSA-N 0 3 319.474 2.412 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001661526531 1080490986 /nfs/dbraw/zinc/49/09/86/1080490986.db2.gz IYBAWJOOTIMRDD-RSUVLRKRSA-N 0 3 312.841 2.178 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)COc2ccc(F)cc2)C1 ZINC001481779306 1080494516 /nfs/dbraw/zinc/49/45/16/1080494516.db2.gz PWRCUKPQGYKSAX-MRXNPFEDSA-N 0 3 318.392 2.151 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccc[nH]1)NCC#Cc1ccc(F)cc1 ZINC001481788089 1080506710 /nfs/dbraw/zinc/50/67/10/1080506710.db2.gz GVIYVDUNHWFZGC-INIZCTEOSA-N 0 3 313.376 2.304 20 30 DEEDHN CC(C)Oc1ccc(CNCCNC(=O)[C@H](C)C#N)cc1Cl ZINC001124894778 1080513671 /nfs/dbraw/zinc/51/36/71/1080513671.db2.gz BQYDSYMIDNGUDN-GFCCVEGCSA-N 0 3 323.824 2.493 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1ccncc1C ZINC001661861153 1080534723 /nfs/dbraw/zinc/53/47/23/1080534723.db2.gz HUFMVMBYJWZMOP-INIZCTEOSA-N 0 3 317.433 2.177 20 30 DEEDHN C#CCN1CCCC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1CC ZINC001661866520 1080536089 /nfs/dbraw/zinc/53/60/89/1080536089.db2.gz PHEHLTTTXQFMFQ-JKSUJKDBSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001661910575 1080543301 /nfs/dbraw/zinc/54/33/01/1080543301.db2.gz SNBOBBWTNYUPAH-KBPBESRZSA-N 0 3 319.453 2.365 20 30 DEEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1CNCc1cncs1 ZINC001661917775 1080544716 /nfs/dbraw/zinc/54/47/16/1080544716.db2.gz OILJFCXYKBCLMU-CQSZACIVSA-N 0 3 305.447 2.273 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCOCC1CC1 ZINC001661976308 1080551694 /nfs/dbraw/zinc/55/16/94/1080551694.db2.gz ANVKZRYTOCQEMN-ROUUACIJSA-N 0 3 318.461 2.282 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2scnc2C)cc1 ZINC001662303204 1080592360 /nfs/dbraw/zinc/59/23/60/1080592360.db2.gz IXNFAPSSFDHJFJ-GFCCVEGCSA-N 0 3 313.426 2.341 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001662324610 1080596730 /nfs/dbraw/zinc/59/67/30/1080596730.db2.gz KYOZUHXDWQKQFJ-KBPBESRZSA-N 0 3 322.836 2.188 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2ccn(CC)n2)C1 ZINC001662747293 1080647401 /nfs/dbraw/zinc/64/74/01/1080647401.db2.gz NUZUEBKYVZIDKN-CABCVRRESA-N 0 3 304.438 2.386 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001481972645 1080656777 /nfs/dbraw/zinc/65/67/77/1080656777.db2.gz MEZSTBQBRPIGGZ-CYBMUJFWSA-N 0 3 311.813 2.188 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cnn(C)c1C ZINC001663031767 1080689268 /nfs/dbraw/zinc/68/92/68/1080689268.db2.gz SACLMHOBHXFMSR-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN CCc1nc(C)c(CN[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001482012653 1080692383 /nfs/dbraw/zinc/69/23/83/1080692383.db2.gz MKFQJEDOQFAKMV-UBHSHLNASA-N 0 3 318.421 2.222 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cn(C)c2ccc(F)cc12 ZINC001663201064 1080718604 /nfs/dbraw/zinc/71/86/04/1080718604.db2.gz JZQJLOVIPBGVRL-UHFFFAOYSA-N 0 3 301.365 2.002 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)CCCn2ccnc2)cc1 ZINC001482035999 1080723313 /nfs/dbraw/zinc/72/33/13/1080723313.db2.gz SWBREYNJTDRVBS-UHFFFAOYSA-N 0 3 324.428 2.093 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc3n(c2)CCCC3)cc1 ZINC001482035584 1080724837 /nfs/dbraw/zinc/72/48/37/1080724837.db2.gz GIDDJZAJQQDENO-UHFFFAOYSA-N 0 3 321.424 2.477 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccsc1C(F)(F)F ZINC001663323616 1080729322 /nfs/dbraw/zinc/72/93/22/1080729322.db2.gz MRDITKTUWIVHGC-UHFFFAOYSA-N 0 3 304.337 2.452 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cccc2c1CCC2 ZINC001663342329 1080733770 /nfs/dbraw/zinc/73/37/70/1080733770.db2.gz MRAXLSJLOOYURD-UHFFFAOYSA-N 0 3 302.418 2.040 20 30 DEEDHN C=CC(C)(C)CC(=O)NC/C=C/CN[C@H](C)C(=O)NC(C)(C)C ZINC001268543372 1080738597 /nfs/dbraw/zinc/73/85/97/1080738597.db2.gz GPIOWROZUZQZDS-ATWMFIQVSA-N 0 3 323.481 2.154 20 30 DEEDHN CC[C@@H](F)C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001268574962 1080789942 /nfs/dbraw/zinc/78/99/42/1080789942.db2.gz NZABQSXTNFRZBV-VQTKUKTRSA-N 0 3 307.344 2.207 20 30 DEEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(OC)nc1 ZINC001268576625 1080792169 /nfs/dbraw/zinc/79/21/69/1080792169.db2.gz WRDMAQFBIXZBKZ-SREVYHEPSA-N 0 3 303.406 2.064 20 30 DEEDHN C[C@@H](CNC/C(Cl)=C/Cl)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482093906 1080797131 /nfs/dbraw/zinc/79/71/31/1080797131.db2.gz GVHLSSLJLBIMEZ-SGRPLGENSA-N 0 3 315.204 2.161 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1cc2sccc2s1 ZINC001664018280 1080850228 /nfs/dbraw/zinc/85/02/28/1080850228.db2.gz JEIMBEVQHIWRQZ-UHFFFAOYSA-N 0 3 322.455 2.274 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1cccc(C(C)C)c1 ZINC001268610762 1080889295 /nfs/dbraw/zinc/88/92/95/1080889295.db2.gz MUANDOJLEZYJCN-PLNGDYQASA-N 0 3 314.429 2.335 20 30 DEEDHN C=CCN[C@@H](CNC(=O)CCc1cnccn1)c1ccccc1 ZINC001664599696 1080931366 /nfs/dbraw/zinc/93/13/66/1080931366.db2.gz VHNDMQBYFNRMMD-KRWDZBQOSA-N 0 3 310.401 2.042 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC=C)cn1 ZINC001664642938 1080934637 /nfs/dbraw/zinc/93/46/37/1080934637.db2.gz DDPKLEHEHWKOHQ-HDICACEKSA-N 0 3 309.413 2.318 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001664680083 1080941493 /nfs/dbraw/zinc/94/14/93/1080941493.db2.gz ZMCLSANWGUCQNZ-GFCCVEGCSA-N 0 3 324.375 2.297 20 30 DEEDHN 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1084285718 /nfs/dbraw/zinc/28/57/18/1084285718.db2.gz FGGMLIOXZFYLLX-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001077859563 1084300801 /nfs/dbraw/zinc/30/08/01/1084300801.db2.gz LVNPKZDXYLGIFJ-KBRIMQKVSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCC[C@H](C)C1 ZINC001277921844 1084305214 /nfs/dbraw/zinc/30/52/14/1084305214.db2.gz JZTMDOQYSBNZEV-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN COc1cc(CN[C@H](C)CNC(=O)C#CC2CC2)ccc1Cl ZINC001491448571 1084320292 /nfs/dbraw/zinc/32/02/92/1084320292.db2.gz RNFMHHLMNSOHIF-GFCCVEGCSA-N 0 3 320.820 2.356 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1cnc(C)nc1 ZINC001277928916 1084336960 /nfs/dbraw/zinc/33/69/60/1084336960.db2.gz JLMIYVYJNFNERB-GUYCJALGSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC=C)CCOCC1 ZINC001235209283 1084344036 /nfs/dbraw/zinc/34/40/36/1084344036.db2.gz KEGJMJHWIPZSIT-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cccc3cccnc32)C1=O ZINC001272875590 1084406053 /nfs/dbraw/zinc/40/60/53/1084406053.db2.gz RPHMQCLQIVQHFI-FQEVSTJZSA-N 0 3 319.408 2.435 20 30 DEEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CCCCOC ZINC001235376011 1084410171 /nfs/dbraw/zinc/41/01/71/1084410171.db2.gz MWNFXSGFZUEACQ-MRXNPFEDSA-N 0 3 319.449 2.247 20 30 DEEDHN C=CCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235436096 1084429922 /nfs/dbraw/zinc/42/99/22/1084429922.db2.gz FLNBWLOBYNWXOA-UHFFFAOYSA-N 0 3 305.378 2.499 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001078058944 1084515977 /nfs/dbraw/zinc/51/59/77/1084515977.db2.gz OOTSQYGXEKFUAF-IAGOWNOFSA-N 0 3 316.445 2.335 20 30 DEEDHN C#CCCCCC(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205038984 1084521060 /nfs/dbraw/zinc/52/10/60/1084521060.db2.gz MOZUPPLVZSFIKS-UHFFFAOYSA-N 0 3 320.462 2.060 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001078107355 1084544246 /nfs/dbraw/zinc/54/42/46/1084544246.db2.gz XONFZZVECYAXJR-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001078134290 1084557173 /nfs/dbraw/zinc/55/71/73/1084557173.db2.gz RAIUFEATTVMXGK-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001078215105 1084591102 /nfs/dbraw/zinc/59/11/02/1084591102.db2.gz ILMIZZGRKPLRNS-NUJGCVRESA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cncnc2C)C12CCC2 ZINC001078557888 1084740873 /nfs/dbraw/zinc/74/08/73/1084740873.db2.gz CWRQLPTURHRMGF-KBPBESRZSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2C)C12CCC2 ZINC001078575698 1084752204 /nfs/dbraw/zinc/75/22/04/1084752204.db2.gz KUGBGHVWIGRZTC-STQMWFEESA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)C12CCC2 ZINC001078591525 1084761763 /nfs/dbraw/zinc/76/17/63/1084761763.db2.gz SGKDIBJJEKKRKI-QWHCGFSZSA-N 0 3 321.808 2.170 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C12CCC2 ZINC001078616855 1084770279 /nfs/dbraw/zinc/77/02/79/1084770279.db2.gz CBEPOOIOBKRLOM-VXGBXAGGSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]nc2CC)C12CCC2 ZINC001078665411 1084799606 /nfs/dbraw/zinc/79/96/06/1084799606.db2.gz IARLYMZIZCVDFT-UONOGXRCSA-N 0 3 322.840 2.355 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001486129220 1085079486 /nfs/dbraw/zinc/07/94/86/1085079486.db2.gz PCPBLOULQYYGBM-HNAYVOBHSA-N 0 3 310.441 2.320 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)COc2c(C)cccc2C)C1 ZINC001486131072 1085080317 /nfs/dbraw/zinc/08/03/17/1085080317.db2.gz WGVYLQGBFLWFHG-IRXDYDNUSA-N 0 3 314.429 2.285 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccc(C)cc2)[C@@H]1C ZINC001486185404 1085113116 /nfs/dbraw/zinc/11/31/16/1085113116.db2.gz HYCBNZUKABUWTB-WMZOPIPTSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001486195419 1085122416 /nfs/dbraw/zinc/12/24/16/1085122416.db2.gz MGVKHTTYDGQJFI-ZGPXNKBISA-N 0 3 321.248 2.383 20 30 DEEDHN CC[C@@H](F)CN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001486228615 1085136741 /nfs/dbraw/zinc/13/67/41/1085136741.db2.gz KMEHEKUPVFAGJP-TZMCWYRMSA-N 0 3 306.385 2.075 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncoc1CC ZINC000960259330 1085169945 /nfs/dbraw/zinc/16/99/45/1085169945.db2.gz QTHRIORQKVXTDK-GDBMZVCRSA-N 0 3 311.385 2.408 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cnccc1C ZINC000960279811 1085180221 /nfs/dbraw/zinc/18/02/21/1085180221.db2.gz WCQXICCMLNLZRV-UYAOXDASSA-N 0 3 321.424 2.490 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccnn1 ZINC000960321747 1085195427 /nfs/dbraw/zinc/19/54/27/1085195427.db2.gz UJAFHZWFIFTLRZ-IAGOWNOFSA-N 0 3 308.385 2.038 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(CC)on1 ZINC000960328333 1085199386 /nfs/dbraw/zinc/19/93/86/1085199386.db2.gz XWCQJDFJLFYFGN-NVXWUHKLSA-N 0 3 311.385 2.408 20 30 DEEDHN CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(OC)c(C#N)c1 ZINC000960338166 1085205164 /nfs/dbraw/zinc/20/51/64/1085205164.db2.gz WQMXOFVPDKDQCZ-MRXNPFEDSA-N 0 3 315.417 2.400 20 30 DEEDHN Cc1cc(CNC[C@@H](NC(=O)C#CC2CC2)C(C)(C)C)sn1 ZINC001486397198 1085259869 /nfs/dbraw/zinc/25/98/69/1085259869.db2.gz KGTAEMZMDLALQH-OAHLLOKOSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1cnnn1C)C(C)(C)C ZINC001486414002 1085284322 /nfs/dbraw/zinc/28/43/22/1085284322.db2.gz TZRMELKBYSYXSL-CQSZACIVSA-N 0 3 321.469 2.038 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2n[nH]cc2C)c(F)c1 ZINC001486524004 1085406607 /nfs/dbraw/zinc/40/66/07/1085406607.db2.gz MQKVGWHETRVCMX-UHFFFAOYSA-N 0 3 302.353 2.063 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccc2nonc2c1 ZINC001128190744 1085505890 /nfs/dbraw/zinc/50/58/90/1085505890.db2.gz XIDBKTLPGBEWAP-UHFFFAOYSA-N 0 3 322.796 2.207 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CC[C@@H](C)O1)C2 ZINC000965211200 1085556456 /nfs/dbraw/zinc/55/64/56/1085556456.db2.gz LCANAVOTBMHXQD-OFOZEMMXSA-N 0 3 312.841 2.323 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cnc(Cl)c(C)c3)C2)C1=O ZINC001272956518 1085638545 /nfs/dbraw/zinc/63/85/45/1085638545.db2.gz CWPHZGLUSYVDPU-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN CC(C)=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000965910105 1085689869 /nfs/dbraw/zinc/68/98/69/1085689869.db2.gz KIIBKSASEYYXQP-CJNGLKHVSA-N 0 3 300.406 2.293 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccnc(C)n1)C2 ZINC000965925329 1085695685 /nfs/dbraw/zinc/69/56/85/1085695685.db2.gz KQNDCWAYQKUTSV-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(C)cnc3Cl)C2)C1=O ZINC001272974030 1085750240 /nfs/dbraw/zinc/75/02/40/1085750240.db2.gz LOOKSOLHJQMEQP-QGZVFWFLSA-N 0 3 317.820 2.101 20 30 DEEDHN Cc1cc(C(=O)NC2CC(CNCc3ccccc3C#N)C2)on1 ZINC000961540094 1085779789 /nfs/dbraw/zinc/77/97/89/1085779789.db2.gz YOWPBCTTZZGTLT-UHFFFAOYSA-N 0 3 324.384 2.153 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272983637 1085781275 /nfs/dbraw/zinc/78/12/75/1085781275.db2.gz XTYGOEKUGLFNLM-SFHVURJKSA-N 0 3 316.401 2.241 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc3c(ccn3C)c2)C1=O ZINC001273006100 1085886505 /nfs/dbraw/zinc/88/65/05/1085886505.db2.gz OUBNQTLPEQOAMF-FQEVSTJZSA-N 0 3 321.424 2.378 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)CCO2 ZINC001273007332 1085896176 /nfs/dbraw/zinc/89/61/76/1085896176.db2.gz BPIMJSRDLFPWLS-IAGOWNOFSA-N 0 3 312.413 2.373 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc3occc3[nH]2)s1 ZINC001128495606 1086011612 /nfs/dbraw/zinc/01/16/12/1086011612.db2.gz JQYRNPXVDYVTCY-UHFFFAOYSA-N 0 3 314.370 2.214 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3cc(C)ncn3)C2)C1 ZINC000962284223 1086051665 /nfs/dbraw/zinc/05/16/65/1086051665.db2.gz XPLSMKOXDKZXON-UHFFFAOYSA-N 0 3 314.433 2.126 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccco2)s1 ZINC000962346726 1086074022 /nfs/dbraw/zinc/07/40/22/1086074022.db2.gz NYIGOORFLJFLCO-YABSGUDNSA-N 0 3 315.398 2.249 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(C(C)C)nc1C ZINC000962543397 1086158190 /nfs/dbraw/zinc/15/81/90/1086158190.db2.gz KCFHCJAYVSSNOA-ITGUQSILSA-N 0 3 305.447 2.421 20 30 DEEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2C[C@H]1COC(C)(C)O1 ZINC001273085886 1086161921 /nfs/dbraw/zinc/16/19/21/1086161921.db2.gz RMAZGBRYAHCJQL-MAUKXSAKSA-N 0 3 322.449 2.171 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001033539244 1086331193 /nfs/dbraw/zinc/33/11/93/1086331193.db2.gz IAXJWGXCFFKWIK-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001128718805 1086345542 /nfs/dbraw/zinc/34/55/42/1086345542.db2.gz BPRRORWPNVVBSY-CVEARBPZSA-N 0 3 321.469 2.246 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2N(C)C)C1 ZINC001033702709 1086351269 /nfs/dbraw/zinc/35/12/69/1086351269.db2.gz QSLUZKIEEPGTHS-HNNXBMFYSA-N 0 3 301.434 2.475 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(CC)CC)[C@@H](n2ccnn2)C1 ZINC001128740950 1086360825 /nfs/dbraw/zinc/36/08/25/1086360825.db2.gz LUVTWTWEGGYOMT-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCCC)C[C@@H]1n1ccnn1 ZINC001129031778 1086577108 /nfs/dbraw/zinc/57/71/08/1086577108.db2.gz FJGSIQGYEASNPN-CVEARBPZSA-N 0 3 319.453 2.166 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001062251542 1086819247 /nfs/dbraw/zinc/81/92/47/1086819247.db2.gz LCZGFGGQIOIMNH-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1[nH]nc3ccccc31)CC2 ZINC001273185485 1087235082 /nfs/dbraw/zinc/23/50/82/1087235082.db2.gz WHASNALOBVCEKR-OAHLLOKOSA-N 0 3 324.428 2.467 20 30 DEEDHN C=CCCCC(=O)NC1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001063372038 1087410634 /nfs/dbraw/zinc/41/06/34/1087410634.db2.gz RGQMBWMPWASSBV-INIZCTEOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000957111276 1088037638 /nfs/dbraw/zinc/03/76/38/1088037638.db2.gz HLCKAHRGOJSVRP-CQSZACIVSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001079792167 1088403637 /nfs/dbraw/zinc/40/36/37/1088403637.db2.gz COBQBYBIKSWNKB-UKRRQHHQSA-N 0 3 304.438 2.264 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnn2-c2ccccc2)C1 ZINC001079964099 1088521822 /nfs/dbraw/zinc/52/18/22/1088521822.db2.gz HXSCHROINQUSHC-NVXWUHKLSA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001080091307 1088620786 /nfs/dbraw/zinc/62/07/86/1088620786.db2.gz PSJPEYMRIWCEGY-RDTXWAMCSA-N 0 3 311.429 2.034 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000958212074 1088852153 /nfs/dbraw/zinc/85/21/53/1088852153.db2.gz QLGNCQFOQKZBRW-YRXWBPOGSA-N 0 3 321.424 2.461 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)C2CCCCCCC2)[C@H](O)C1 ZINC000958244834 1088879884 /nfs/dbraw/zinc/87/98/84/1088879884.db2.gz XWJNLHSSIUIALM-IAGOWNOFSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc3occc3s2)C1 ZINC000958405584 1088968554 /nfs/dbraw/zinc/96/85/54/1088968554.db2.gz UNHIQADISJXLTK-NWDGAFQWSA-N 0 3 320.414 2.093 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCCn1cccn1 ZINC001276326905 1089003761 /nfs/dbraw/zinc/00/37/61/1089003761.db2.gz LDTDYMHHUDWBKZ-QGZVFWFLSA-N 0 3 316.449 2.047 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCn1cccc1 ZINC001276326565 1089003857 /nfs/dbraw/zinc/00/38/57/1089003857.db2.gz ISKCKFZVVDJICN-QGZVFWFLSA-N 0 3 301.434 2.262 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001080533243 1089049261 /nfs/dbraw/zinc/04/92/61/1089049261.db2.gz VRHZQNAKJMHLJE-ZYHUDNBSSA-N 0 3 310.829 2.008 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2sccc2C2CC2)C1 ZINC000958645138 1089119082 /nfs/dbraw/zinc/11/90/82/1089119082.db2.gz OIZKUAGKWLXQRB-HIFRSBDPSA-N 0 3 320.458 2.224 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001080638266 1089119006 /nfs/dbraw/zinc/11/90/06/1089119006.db2.gz BSLXMBCDCLMQDS-JKIFEVAISA-N 0 3 302.393 2.389 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC000958696342 1089143641 /nfs/dbraw/zinc/14/36/41/1089143641.db2.gz OKQWQCFVBLIUEU-ZWKOTPCHSA-N 0 3 314.429 2.163 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001080890500 1089234362 /nfs/dbraw/zinc/23/43/62/1089234362.db2.gz OUHAVHKAKWSNRX-IUODEOHRSA-N 0 3 313.426 2.370 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc(C)c2F)[C@H](OC)C1 ZINC001081716390 1089447345 /nfs/dbraw/zinc/44/73/45/1089447345.db2.gz JPXASOVXYBYJKJ-HUUCEWRRSA-N 0 3 306.381 2.139 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H](OC)C1 ZINC001081935046 1089574262 /nfs/dbraw/zinc/57/42/62/1089574262.db2.gz XAHWZBLGXHTIBN-KLHDSHLOSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001081946590 1089587216 /nfs/dbraw/zinc/58/72/16/1089587216.db2.gz LNWPDBGLIJQHST-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc3sccc3[nH]2)[C@H](OC)C1 ZINC001082297808 1089829286 /nfs/dbraw/zinc/82/92/86/1089829286.db2.gz OJPBZMDLEIKUFI-ZIAGYGMSSA-N 0 3 319.430 2.235 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(CCC)on2)[C@H](OC)C1 ZINC001082287741 1089829560 /nfs/dbraw/zinc/82/95/60/1089829560.db2.gz DOZRJEAKLCURIX-HZPDHXFCSA-N 0 3 321.421 2.022 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](OC)C1 ZINC001082352189 1089873318 /nfs/dbraw/zinc/87/33/18/1089873318.db2.gz HWGZUGCYOQWIRV-HZPDHXFCSA-N 0 3 324.371 2.360 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)cc2ccncc21 ZINC000959959211 1089882013 /nfs/dbraw/zinc/88/20/13/1089882013.db2.gz YZGFKDLAJMIOOD-FVQHAEBGSA-N 0 3 311.360 2.220 20 30 DEEDHN CC(C)c1cccc(CN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)n1 ZINC001082450425 1089947963 /nfs/dbraw/zinc/94/79/63/1089947963.db2.gz ORFOYRJALBOAEG-JJRVBVJISA-N 0 3 314.433 2.301 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C=C3CCCCC3)[C@H]2C1 ZINC001083017966 1090142845 /nfs/dbraw/zinc/14/28/45/1090142845.db2.gz MHYCITLIVONAAG-DLBZAZTESA-N 0 3 304.434 2.365 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3ccccc3CC)[C@H]2C1 ZINC001083178257 1090174120 /nfs/dbraw/zinc/17/41/20/1090174120.db2.gz KIIAGRJUZQQAJO-ZWKOTPCHSA-N 0 3 314.429 2.350 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001084105337 1090200808 /nfs/dbraw/zinc/20/08/08/1090200808.db2.gz ADLOBPBTACDDIX-RYRKJORJSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4oc(C)nc4c3)[C@@H]2C1 ZINC001084440592 1090302601 /nfs/dbraw/zinc/30/26/01/1090302601.db2.gz ROIRQCANNHBAPD-NVXWUHKLSA-N 0 3 323.396 2.306 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCn1cccn1 ZINC001098916369 1090444568 /nfs/dbraw/zinc/44/45/68/1090444568.db2.gz PIBFHHPXEDWMAI-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001084789617 1090445710 /nfs/dbraw/zinc/44/57/10/1090445710.db2.gz QHPPLEDXQRXGCA-VXGBXAGGSA-N 0 3 309.797 2.441 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C[C@@H]21 ZINC001085057653 1090619305 /nfs/dbraw/zinc/61/93/05/1090619305.db2.gz PGBQNMYTWJWOBJ-MAZHCROVSA-N 0 3 316.449 2.239 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001065972918 1090938630 /nfs/dbraw/zinc/93/86/30/1090938630.db2.gz ZIBFXFPKJDOXKJ-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc3c[nH]ccc-3n1)CC2 ZINC001274267985 1091158971 /nfs/dbraw/zinc/15/89/71/1091158971.db2.gz HRSBOFMSDXJAPF-INIZCTEOSA-N 0 3 324.428 2.467 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1c(C)[nH]c2ccccc21 ZINC001274324864 1091188129 /nfs/dbraw/zinc/18/81/29/1091188129.db2.gz HUDQGGMTCCUJPQ-BQYQJAHWSA-N 0 3 309.413 2.304 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cnc(CC)s3)CC2)C1=O ZINC001274451073 1091252553 /nfs/dbraw/zinc/25/25/53/1091252553.db2.gz ZDCVGQVLYWDHAW-UHFFFAOYSA-N 0 3 317.458 2.153 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001274467565 1091259058 /nfs/dbraw/zinc/25/90/58/1091259058.db2.gz FUUHEHIVLOBITH-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cn(C)nc1C1CC1 ZINC001274497533 1091270337 /nfs/dbraw/zinc/27/03/37/1091270337.db2.gz LTHIDHIXUVEVDU-HZPDHXFCSA-N 0 3 314.433 2.049 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C[C@H](C)c1ccccc1OC ZINC001274510008 1091277376 /nfs/dbraw/zinc/27/73/76/1091277376.db2.gz LYNZILGNECKKAP-KIUWMYQTSA-N 0 3 300.402 2.084 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(N)nc1C ZINC001274539225 1091290468 /nfs/dbraw/zinc/29/04/68/1091290468.db2.gz KXBGGKZRUGGTSY-GOSISDBHSA-N 0 3 314.433 2.115 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cnc(C)[nH]1)CC2 ZINC001274577346 1091307492 /nfs/dbraw/zinc/30/74/92/1091307492.db2.gz YAFHKTQWCIFDBD-OAHLLOKOSA-N 0 3 302.422 2.013 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2C[C@@](C)(O)c2ccccc2)C1=O ZINC001274654988 1091353446 /nfs/dbraw/zinc/35/34/46/1091353446.db2.gz SLWITRHJKYIHKB-RTBURBONSA-N 0 3 314.429 2.147 20 30 DEEDHN CC(C)COCCC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274686918 1091366875 /nfs/dbraw/zinc/36/68/75/1091366875.db2.gz VDVYDTSXZLPROY-QGZVFWFLSA-N 0 3 316.445 2.195 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@@H](C)NC(=O)C#CC1CC1 ZINC001274747454 1091396007 /nfs/dbraw/zinc/39/60/07/1091396007.db2.gz ORPULMVITYQWNS-GFCCVEGCSA-N 0 3 320.820 2.356 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(c3cncn3C)CC2)C1=O ZINC001274758471 1091399996 /nfs/dbraw/zinc/39/99/96/1091399996.db2.gz JJCRFFWRPORLOK-KRWDZBQOSA-N 0 3 302.422 2.205 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCO[C@H](C)CC(C)C)C1 ZINC001494820084 1091490562 /nfs/dbraw/zinc/49/05/62/1091490562.db2.gz RQFXVPHIWAMJBX-IAGOWNOFSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCCCN1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1ccsc1 ZINC001274958722 1091491682 /nfs/dbraw/zinc/49/16/82/1091491682.db2.gz JLDBZGVJFALRGC-IYBDPMFKSA-N 0 3 320.458 2.168 20 30 DEEDHN C=CCCCCN1CC2(CCN2C(=O)[C@H]2CC3CCN2CC3)C1 ZINC001274973895 1091497604 /nfs/dbraw/zinc/49/76/04/1091497604.db2.gz DVTAZAHQDJBNOE-QGZVFWFLSA-N 0 3 317.477 2.114 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)CNCc1ccc(C)cc1Cl ZINC001275098174 1091557506 /nfs/dbraw/zinc/55/75/06/1091557506.db2.gz AHYSYCWOZZOWEH-ZDUSSCGKSA-N 0 3 310.825 2.445 20 30 DEEDHN C#CCCCC(=O)NC1CC(CNCc2conc2CC)C1 ZINC001275220775 1091621060 /nfs/dbraw/zinc/62/10/60/1091621060.db2.gz UJIXPPVQSDPZDK-UHFFFAOYSA-N 0 3 303.406 2.025 20 30 DEEDHN CCc1nocc1CNCC1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001275227255 1091623234 /nfs/dbraw/zinc/62/32/34/1091623234.db2.gz PVUOXLVMVXEUBY-UHFFFAOYSA-N 0 3 317.433 2.271 20 30 DEEDHN CCCc1cc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)[nH]n1 ZINC001275259413 1091640333 /nfs/dbraw/zinc/64/03/33/1091640333.db2.gz SPBBGCFENZMWJF-HNNXBMFYSA-N 0 3 324.428 2.122 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2[nH]c3ccccc3c2C#N)C(C)(C)C1 ZINC001412708908 1091706626 /nfs/dbraw/zinc/70/66/26/1091706626.db2.gz YPEPEWMBGKITGY-OAHLLOKOSA-N 0 3 310.401 2.500 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)nc1 ZINC001275472282 1091780335 /nfs/dbraw/zinc/78/03/35/1091780335.db2.gz WIODZKQFCXZVIN-CABCVRRESA-N 0 3 317.433 2.267 20 30 DEEDHN C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001275503292 1091812651 /nfs/dbraw/zinc/81/26/51/1091812651.db2.gz PWMWROKUYIZKJT-NEPJUHHUSA-N 0 3 314.389 2.008 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N([C@H](C)C(=O)OCC)C2 ZINC001273486808 1091877772 /nfs/dbraw/zinc/87/77/72/1091877772.db2.gz OHOYYPKCKBRKHP-QAPCUYQASA-N 0 3 322.449 2.361 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001490846903 1091883999 /nfs/dbraw/zinc/88/39/99/1091883999.db2.gz ORJSWXOTUZAIHX-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN COCCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001273526197 1091903283 /nfs/dbraw/zinc/90/32/83/1091903283.db2.gz XGOHNRSQBIAFBA-KRWDZBQOSA-N 0 3 307.438 2.174 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cc(C)cc(F)c1 ZINC001275659140 1091957096 /nfs/dbraw/zinc/95/70/96/1091957096.db2.gz MSQLQKDRWJRDQG-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cccc(O)c1C)CC2 ZINC001273619447 1091959271 /nfs/dbraw/zinc/95/92/71/1091959271.db2.gz IAKBMJMBNPMWES-MRXNPFEDSA-N 0 3 312.413 2.052 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccoc1C)CCO2 ZINC000949021438 1092032481 /nfs/dbraw/zinc/03/24/81/1092032481.db2.gz PPVMABYUHFJFBV-UHFFFAOYSA-N 0 3 304.390 2.081 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001275720479 1092038259 /nfs/dbraw/zinc/03/82/59/1092038259.db2.gz GWNUKHJBGNWPCS-WMLDXEAASA-N 0 3 302.418 2.229 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc(C#C)c1 ZINC001273792294 1092049734 /nfs/dbraw/zinc/04/97/34/1092049734.db2.gz NXEYJJDGSBTTPT-HXUWFJFHSA-N 0 3 306.409 2.258 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(F)CCCC1)CCO2 ZINC000949129348 1092055626 /nfs/dbraw/zinc/05/56/26/1092055626.db2.gz GYRKQJGTAVTACZ-UHFFFAOYSA-N 0 3 310.413 2.148 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc(C)co1)CCO2 ZINC000949164837 1092059990 /nfs/dbraw/zinc/05/99/90/1092059990.db2.gz VJANPGJKMXJYED-UHFFFAOYSA-N 0 3 304.390 2.081 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C(C)(C)CC)CCO2 ZINC000949174284 1092062968 /nfs/dbraw/zinc/06/29/68/1092062968.db2.gz NPMIWXKEBOZUKD-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1CCCC3)CCO2 ZINC000949182287 1092064223 /nfs/dbraw/zinc/06/42/23/1092064223.db2.gz JFOWEHONKDSHQV-VQIMIIECSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@]1(C)CC)CCO2 ZINC000949220166 1092073249 /nfs/dbraw/zinc/07/32/49/1092073249.db2.gz BTEXUXINVDOMPS-DOTOQJQBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001275835615 1092202550 /nfs/dbraw/zinc/20/25/50/1092202550.db2.gz NLMHBBFMOKEGBR-ZDUSSCGKSA-N 0 3 303.406 2.190 20 30 DEEDHN C[C@@H](C#N)C(=O)NC/C=C\CNCc1ccc(F)c(Cl)c1 ZINC001273912258 1092505543 /nfs/dbraw/zinc/50/55/43/1092505543.db2.gz XDYBREUMXRVWNI-QUCGXOGASA-N 0 3 309.772 2.401 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001488641305 1092653318 /nfs/dbraw/zinc/65/33/18/1092653318.db2.gz CIUQUFWVGQYSCA-SJLPKXTDSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001488961171 1092828685 /nfs/dbraw/zinc/82/86/85/1092828685.db2.gz NAJQHQVCSQXJEO-QLFBSQMISA-N 0 3 324.856 2.461 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001489176075 1092947428 /nfs/dbraw/zinc/94/74/28/1092947428.db2.gz YEHJKHJRXKGDRQ-FOIPXRHGSA-N 0 3 320.477 2.284 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001489261516 1092989546 /nfs/dbraw/zinc/98/95/46/1092989546.db2.gz CCSIFQUBEPOXLG-DOMZBBRYSA-N 0 3 308.447 2.452 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001489288717 1093004643 /nfs/dbraw/zinc/00/46/43/1093004643.db2.gz LHDPTBWQWDSVAN-UWWQBHOKSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001489326869 1093022213 /nfs/dbraw/zinc/02/22/13/1093022213.db2.gz ROKHBXVTVBWUMZ-GJZGRUSLSA-N 0 3 316.449 2.329 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@H](C)c1ccccc1C ZINC001490281569 1093275092 /nfs/dbraw/zinc/27/50/92/1093275092.db2.gz RZGDESPWJRLAQR-QGZVFWFLSA-N 0 3 316.445 2.186 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=O)NCC(C)C ZINC001490290891 1093279390 /nfs/dbraw/zinc/27/93/90/1093279390.db2.gz LJURICKYROIXPZ-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(CCCNC(=O)c1sccc1OC)C1CC1 ZINC001490391546 1093341931 /nfs/dbraw/zinc/34/19/31/1093341931.db2.gz PQJNUMOWUBHPPJ-UHFFFAOYSA-N 0 3 306.431 2.364 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COCc2ccc(C)cc2)C1 ZINC001490545336 1093404142 /nfs/dbraw/zinc/40/41/42/1093404142.db2.gz DYQCVNOKDFRDAW-KRWDZBQOSA-N 0 3 302.418 2.278 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001490556825 1093418888 /nfs/dbraw/zinc/41/88/88/1093418888.db2.gz DDSAWBZOUKWVNF-YJBOKZPZSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001490616279 1093447409 /nfs/dbraw/zinc/44/74/09/1093447409.db2.gz CXJTWPBUVSXJBO-HZPDHXFCSA-N 0 3 316.449 2.402 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)Cn2cncc2C)CC1 ZINC001490617517 1093448618 /nfs/dbraw/zinc/44/86/18/1093448618.db2.gz OWQQIGMOASBNLS-UHFFFAOYSA-N 0 3 304.438 2.081 20 30 DEEDHN Cc1oncc1CN(C)C[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001490761416 1093514002 /nfs/dbraw/zinc/51/40/02/1093514002.db2.gz XASQMFNVKPDMHE-MRXNPFEDSA-N 0 3 317.433 2.313 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(O)ccc1C)CC2 ZINC001274109280 1093802339 /nfs/dbraw/zinc/80/23/39/1093802339.db2.gz FTFWWAAYWKRUMX-KRWDZBQOSA-N 0 3 312.413 2.052 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc3cncn32)C1=O ZINC001274111333 1093803203 /nfs/dbraw/zinc/80/32/03/1093803203.db2.gz WCLLQRGFGZMUAJ-SFHVURJKSA-N 0 3 310.401 2.087 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3cc(C)ns3)CC2)C1=O ZINC001274137280 1093814150 /nfs/dbraw/zinc/81/41/50/1093814150.db2.gz OQGSZBIVHKJWMZ-QGZVFWFLSA-N 0 3 317.458 2.289 20 30 DEEDHN CN1CC[C@]2(CCN(Cc3ccc(Cl)c(C#N)c3)C2)C1=O ZINC001274141172 1093817108 /nfs/dbraw/zinc/81/71/08/1093817108.db2.gz NAAIYLMHZLMYQH-MRXNPFEDSA-N 0 3 303.793 2.266 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc2nccn21 ZINC001274155933 1093825324 /nfs/dbraw/zinc/82/53/24/1093825324.db2.gz LXULMGKQLPAJIO-IAGOWNOFSA-N 0 3 324.428 2.476 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC001691889198 1138293068 /nfs/dbraw/zinc/29/30/68/1138293068.db2.gz YDMMCDZWBBBBMW-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COc1ccc2c(c1)CCC2 ZINC001278010698 1138427845 /nfs/dbraw/zinc/42/78/45/1138427845.db2.gz WZZPDTYLFHLHJF-HNNXBMFYSA-N 0 3 314.429 2.014 20 30 DEEDHN C=CCc1cccc(CN2CCNC[C@H]2C(F)(F)F)c1O ZINC001236976569 1138472052 /nfs/dbraw/zinc/47/20/52/1138472052.db2.gz PMXBHCZUCTUOCA-ZDUSSCGKSA-N 0 3 300.324 2.457 20 30 DEEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@]3(CCNC3=O)C2)c1 ZINC001237748980 1138779390 /nfs/dbraw/zinc/77/93/90/1138779390.db2.gz OPPQDYKGFVGQND-MRXNPFEDSA-N 0 3 303.793 2.314 20 30 DEEDHN C#CCN(C(=O)[C@H]1C[C@@H]1C(F)F)C1CCN(CC(=C)C)CC1 ZINC001278143954 1138783945 /nfs/dbraw/zinc/78/39/45/1138783945.db2.gz CAZBUOHUZYONTA-GJZGRUSLSA-N 0 3 310.388 2.390 20 30 DEEDHN COc1cc(CN2CCC3(CCC(=O)O3)CC2)ccc1C#N ZINC001238410115 1138844555 /nfs/dbraw/zinc/84/45/55/1138844555.db2.gz VYFSFBWYXKSESJ-UHFFFAOYSA-N 0 3 300.358 2.238 20 30 DEEDHN N#Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240356042 1139347185 /nfs/dbraw/zinc/34/71/85/1139347185.db2.gz NDZHDCCURZHRTI-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN N#Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240356042 1139347195 /nfs/dbraw/zinc/34/71/95/1139347195.db2.gz NDZHDCCURZHRTI-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001295791742 1139565018 /nfs/dbraw/zinc/56/50/18/1139565018.db2.gz KBELEVFPNCQOBS-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001295894827 1139622429 /nfs/dbraw/zinc/62/24/29/1139622429.db2.gz KRTLZGCDTHNLSM-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001296108178 1139710232 /nfs/dbraw/zinc/71/02/32/1139710232.db2.gz RYOKKKKUMGZFIR-GASCZTMLSA-N 0 3 323.481 2.036 20 30 DEEDHN CN1CC=C(c2ccc(CN3CCS/C3=N\C#N)cn2)CC1 ZINC001241310369 1139783345 /nfs/dbraw/zinc/78/33/45/1139783345.db2.gz CLWGRRQQWSMOAW-MNDPQUGUSA-N 0 3 313.430 2.186 20 30 DEEDHN CCN1CCN(c2ccc(-c3cnc(C#N)c(C)n3)cc2)CC1 ZINC001241743320 1139847959 /nfs/dbraw/zinc/84/79/59/1139847959.db2.gz VXHSREMAJZPRJA-UHFFFAOYSA-N 0 3 307.401 2.466 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(C2CCC2)cnn1C ZINC001297373554 1139864744 /nfs/dbraw/zinc/86/47/44/1139864744.db2.gz XXPYGMQFXJVKBE-UHFFFAOYSA-N 0 3 304.438 2.268 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001491743765 1140293224 /nfs/dbraw/zinc/29/32/24/1140293224.db2.gz QECWQOJJVOOQRI-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)C1 ZINC001491743756 1140293518 /nfs/dbraw/zinc/29/35/18/1140293518.db2.gz PSDXPPBMBRHHAI-KRWDZBQOSA-N 0 3 317.408 2.495 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001318443326 1140329939 /nfs/dbraw/zinc/32/99/39/1140329939.db2.gz VVUZDKANEDIMRN-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CCc1cc(C(=O)NC[C@@H](CC)NCC#Cc2ccccc2)[nH]n1 ZINC001318503614 1140352910 /nfs/dbraw/zinc/35/29/10/1140352910.db2.gz QARWEBJKASYOPD-QGZVFWFLSA-N 0 3 324.428 2.122 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CC)NCc1cccnc1 ZINC001318582322 1140368154 /nfs/dbraw/zinc/36/81/54/1140368154.db2.gz HESSQDXKCBNUSA-IKGGRYGDSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NCc2n[nH]c(C)n2)CCCC1 ZINC001319377984 1140559363 /nfs/dbraw/zinc/55/93/63/1140559363.db2.gz SDZNUQYRTGTNQD-UHFFFAOYSA-N 0 3 319.453 2.234 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1(C)CC=CC1)CC2 ZINC001319405238 1140564535 /nfs/dbraw/zinc/56/45/35/1140564535.db2.gz KIXSSGSATDEDPP-UHFFFAOYSA-N 0 3 318.461 2.470 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)[C@H](C)c1ccco1 ZINC001319633265 1140629312 /nfs/dbraw/zinc/62/93/12/1140629312.db2.gz FYIOWPQGZQILON-HZPDHXFCSA-N 0 3 320.433 2.153 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001320060137 1140817145 /nfs/dbraw/zinc/81/71/45/1140817145.db2.gz CGRIWIZEZJQFLS-AWEZNQCLSA-N 0 3 300.402 2.037 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H](CCN2CC#CCOC)C1 ZINC001320101933 1140821849 /nfs/dbraw/zinc/82/18/49/1140821849.db2.gz CBNPYPOHEYYYDD-IRXDYDNUSA-N 0 3 318.461 2.161 20 30 DEEDHN N#Cc1ccc(NC(=S)NC2CCN(C3CC3)CC2)cc1 ZINC001245941312 1140835787 /nfs/dbraw/zinc/83/57/87/1140835787.db2.gz NIZRKFRCSDOLMG-UHFFFAOYSA-N 0 3 300.431 2.471 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](O)CNCc1sccc1Cl ZINC001320255924 1140841495 /nfs/dbraw/zinc/84/14/95/1140841495.db2.gz BIILTVLCVWNQAT-SNVBAGLBSA-N 0 3 316.854 2.180 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001320456898 1140867679 /nfs/dbraw/zinc/86/76/79/1140867679.db2.gz XFFLESBXWWMKHK-SNVBAGLBSA-N 0 3 323.780 2.384 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001278438451 1140877198 /nfs/dbraw/zinc/87/71/98/1140877198.db2.gz SVKBGUKBVUYEPG-YJBOKZPZSA-N 0 3 300.402 2.058 20 30 DEEDHN N#CC1(c2ccc(F)cc2)CCC(N[C@@H]2CNCCC2=O)CC1 ZINC001246286533 1140881201 /nfs/dbraw/zinc/88/12/01/1140881201.db2.gz CHPWDUYLIUVHEJ-UPTPFMHGSA-N 0 3 315.392 2.050 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001320584451 1140882608 /nfs/dbraw/zinc/88/26/08/1140882608.db2.gz SFVOTNNMCVHVGV-PCKAHOCUSA-N 0 3 309.454 2.093 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001320592993 1140883816 /nfs/dbraw/zinc/88/38/16/1140883816.db2.gz VVEDWUGVDWYJMY-DJIMGWMZSA-N 0 3 317.433 2.150 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cc1coc2cc(F)ccc12 ZINC001321056297 1141043032 /nfs/dbraw/zinc/04/30/32/1141043032.db2.gz DMURXOBXYOCMME-PLNGDYQASA-N 0 3 314.360 2.400 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001321256526 1141099595 /nfs/dbraw/zinc/09/95/95/1141099595.db2.gz LWXOVOKNJSJCGD-DLBZAZTESA-N 0 3 317.433 2.103 20 30 DEEDHN C=CC1(CC(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C)CCCCC1 ZINC001321672237 1141325236 /nfs/dbraw/zinc/32/52/36/1141325236.db2.gz BFBXFPBIABBZFE-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CC[C@@H](N)c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001247609078 1141387888 /nfs/dbraw/zinc/38/78/88/1141387888.db2.gz DONRPKLTJWJILO-CEFACKQISA-N 0 3 309.373 2.221 20 30 DEEDHN N#Cc1ccc(Oc2ccc(-c3noc([C@@H](N)CN)n3)cc2)cc1 ZINC001247684061 1141415206 /nfs/dbraw/zinc/41/52/06/1141415206.db2.gz JHTWOGTYLPWLMY-HNNXBMFYSA-N 0 3 321.340 2.359 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCNCc1cnc(Cl)s1 ZINC001322500845 1141613123 /nfs/dbraw/zinc/61/31/23/1141613123.db2.gz DXYZECDDGNLYNZ-UHFFFAOYSA-N 0 3 313.854 2.394 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001322852395 1141744092 /nfs/dbraw/zinc/74/40/92/1141744092.db2.gz NWNMTGIWNCFCKP-UHFFFAOYSA-N 0 3 323.780 2.338 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2C[C@H](OCC)C2CC2)C1 ZINC001323301025 1141839090 /nfs/dbraw/zinc/83/90/90/1141839090.db2.gz FAIYZPWVDSFZSM-HOTGVXAUSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001323311234 1141840765 /nfs/dbraw/zinc/84/07/65/1141840765.db2.gz UZKMAEUQDPSMKE-GDBMZVCRSA-N 0 3 304.438 2.452 20 30 DEEDHN CN1C(=O)CC[C@@H]2CN(Cc3cc4ccc(C#N)cc4[nH]3)CC[C@@H]21 ZINC001249431103 1141888791 /nfs/dbraw/zinc/88/87/91/1141888791.db2.gz UJVVQXIRCHTZNI-QAPCUYQASA-N 0 3 322.412 2.482 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCC(=O)NC(C)C)[C@@H]1C ZINC001278526339 1141998004 /nfs/dbraw/zinc/99/80/04/1141998004.db2.gz IJMRQOUEDHBBDD-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)COCc2ccncc2)[C@@H]1C ZINC001278526914 1141998607 /nfs/dbraw/zinc/99/86/07/1141998607.db2.gz OBAOTTUHYJKAJX-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCNC[C@H](NC(=O)COCC=C)c1ccc2ccccc2c1 ZINC001324442371 1142077506 /nfs/dbraw/zinc/07/75/06/1142077506.db2.gz ZEGANIIRSNPADJ-IBGZPJMESA-N 0 3 322.408 2.423 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCCOC1)C1CCN(CC(=C)C)CC1 ZINC001324441807 1142078339 /nfs/dbraw/zinc/07/83/39/1142078339.db2.gz ROKIZJQJFMRNHQ-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001324615217 1142154881 /nfs/dbraw/zinc/15/48/81/1142154881.db2.gz NYTQITPNFKRCLZ-VQIMIIECSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)CC2CC(F)(F)C2)C1 ZINC001324629764 1142164874 /nfs/dbraw/zinc/16/48/74/1142164874.db2.gz RQUZMPAGGABWEW-OAHLLOKOSA-N 0 3 316.392 2.205 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COc2ccc(F)cc2F)cs1 ZINC001250885031 1142344776 /nfs/dbraw/zinc/34/47/76/1142344776.db2.gz VGKDJEJIHYKULH-LBPRGKRZSA-N 0 3 324.352 2.427 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COc2ccccc2)ccc1F ZINC001251243460 1142404201 /nfs/dbraw/zinc/40/42/01/1142404201.db2.gz RIORXCNPAFJIAU-OAHLLOKOSA-N 0 3 300.333 2.227 20 30 DEEDHN C#CCOC[C@H](O)CNC1(c2ccccc2C(F)(F)F)CC1 ZINC001251891475 1142534117 /nfs/dbraw/zinc/53/41/17/1142534117.db2.gz TZTJRAGNLKQNMG-GFCCVEGCSA-N 0 3 313.319 2.295 20 30 DEEDHN C#C[C@H](C)NC[C@@](C)(O)c1ccc(Br)cc1F ZINC001336783431 1142569850 /nfs/dbraw/zinc/56/98/50/1142569850.db2.gz HQLNQJGRIOJYCM-TVQRCGJNSA-N 0 3 300.171 2.407 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001337226801 1142714436 /nfs/dbraw/zinc/71/44/36/1142714436.db2.gz SHOLHYPTWSBSFG-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN CCCC1(C(=O)N2C[C@@H](NCC#CCOC)C(C)(C)C2)CC1 ZINC001278666819 1142715656 /nfs/dbraw/zinc/71/56/56/1142715656.db2.gz HBVMLGXDVZXWRI-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC(C(=O)c2ccccc2F)CC1 ZINC001252472056 1142724139 /nfs/dbraw/zinc/72/41/39/1142724139.db2.gz MYJHYOVPACVIJN-HNNXBMFYSA-N 0 3 321.392 2.284 20 30 DEEDHN C=CCOC[C@H](O)CN[C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001252494047 1142734773 /nfs/dbraw/zinc/73/47/73/1142734773.db2.gz WDHQHHAZRZYSJK-KGLIPLIRSA-N 0 3 320.216 2.180 20 30 DEEDHN C=C[C@@](C)(O)CN1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001252552224 1142759955 /nfs/dbraw/zinc/75/99/55/1142759955.db2.gz IFHNENNNAUBIMH-WMLDXEAASA-N 0 3 306.454 2.037 20 30 DEEDHN C=C[C@](C)(O)CN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001252551166 1142760411 /nfs/dbraw/zinc/76/04/11/1142760411.db2.gz SYKLNEQBNFBZIK-MLHJIOFPSA-N 0 3 309.450 2.362 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001252623846 1142794515 /nfs/dbraw/zinc/79/45/15/1142794515.db2.gz RSJJYWYHISWJDY-CYBMUJFWSA-N 0 3 316.357 2.487 20 30 DEEDHN C=CCC[C@@H](O)CNCc1ccnc(N2CCCCCC2=O)c1 ZINC001252623214 1142795171 /nfs/dbraw/zinc/79/51/71/1142795171.db2.gz HHQGEGJGUKMJGM-MRXNPFEDSA-N 0 3 317.433 2.405 20 30 DEEDHN C=CCCCCCC[C@H](O)CNC1CN(c2ccncn2)C1 ZINC001253254072 1142857136 /nfs/dbraw/zinc/85/71/36/1142857136.db2.gz MFVCIULDRXDEKI-INIZCTEOSA-N 0 3 304.438 2.142 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001339218482 1142986254 /nfs/dbraw/zinc/98/62/54/1142986254.db2.gz VBFLYWCYNQFBQR-UHFFFAOYSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC001339990195 1143224846 /nfs/dbraw/zinc/22/48/46/1143224846.db2.gz QALRMAPQCQGPQM-ZDUSSCGKSA-N 0 3 309.797 2.078 20 30 DEEDHN C=CCO[C@@H]1CCN(C(=O)NCCN(C)Cc2ccccc2)C1 ZINC001254558341 1143248114 /nfs/dbraw/zinc/24/81/14/1143248114.db2.gz VPALWMJWKUXYRJ-QGZVFWFLSA-N 0 3 317.433 2.105 20 30 DEEDHN COc1ccnc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC001254678271 1143311285 /nfs/dbraw/zinc/31/12/85/1143311285.db2.gz ZYAIVORLPPLPIG-OLZOCXBDSA-N 0 3 302.378 2.021 20 30 DEEDHN C#CCN(CC#C)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254785435 1143324594 /nfs/dbraw/zinc/32/45/94/1143324594.db2.gz HEOLHHVEHLLAOI-OAHLLOKOSA-N 0 3 302.418 2.344 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001340332624 1143325846 /nfs/dbraw/zinc/32/58/46/1143325846.db2.gz ZAVLBPXECGLZNV-ZNMIVQPWSA-N 0 3 303.454 2.366 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccc(C)cc2C)C1 ZINC001278823073 1143354155 /nfs/dbraw/zinc/35/41/55/1143354155.db2.gz WXTDYZWITDIIJX-GOSISDBHSA-N 0 3 302.418 2.046 20 30 DEEDHN C#CC1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC=C)CC1 ZINC001340568236 1143372603 /nfs/dbraw/zinc/37/26/03/1143372603.db2.gz PMGKERNXEUFCOB-MRXNPFEDSA-N 0 3 313.449 2.123 20 30 DEEDHN C=CCn1c(Nc2ccn(CC)n2)nnc1[C@@H]1CCCN(C)C1 ZINC001340567319 1143372943 /nfs/dbraw/zinc/37/29/43/1143372943.db2.gz AVJPZFCGDVSLPH-CYBMUJFWSA-N 0 3 315.425 2.233 20 30 DEEDHN CC[C@H](CC#N)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001255154142 1143449730 /nfs/dbraw/zinc/44/97/30/1143449730.db2.gz CYHIYOKNJXIGFY-CQSZACIVSA-N 0 3 321.446 2.122 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001341394256 1143594225 /nfs/dbraw/zinc/59/42/25/1143594225.db2.gz XXLFMLSVACTOAW-RLFYNMQTSA-N 0 3 322.449 2.356 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C(=O)OC)C1CCCCC1 ZINC001341462974 1143607617 /nfs/dbraw/zinc/60/76/17/1143607617.db2.gz JDWRKEPONVBIFZ-GJZGRUSLSA-N 0 3 310.438 2.156 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1CN1CCOCC1 ZINC001341658131 1143653318 /nfs/dbraw/zinc/65/33/18/1143653318.db2.gz FJPPQEYIQOZQIG-MRXNPFEDSA-N 0 3 317.433 2.141 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001341793786 1143709968 /nfs/dbraw/zinc/70/99/68/1143709968.db2.gz BHYSNLZFCMJYFX-SDDRHHMPSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCO[C@@H]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC001342227424 1143804757 /nfs/dbraw/zinc/80/47/57/1143804757.db2.gz CBJKJKRQOQUPAN-MSOLQXFVSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccccc1OC(C)C ZINC001278882703 1143804883 /nfs/dbraw/zinc/80/48/83/1143804883.db2.gz LSBIODORYXUOKK-OAHLLOKOSA-N 0 3 320.433 2.025 20 30 DEEDHN N#CC(C(=O)CCc1nnc(C(F)F)o1)c1cccc(F)n1 ZINC001342714782 1143831806 /nfs/dbraw/zinc/83/18/06/1143831806.db2.gz FIXLRILBXMHWTQ-ZETCQYMHSA-N 0 3 310.235 2.350 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN([C@@H](C)Cc2ccccn2)C1 ZINC001256424341 1143848235 /nfs/dbraw/zinc/84/82/35/1143848235.db2.gz VFIDWAFGEHCFFL-HOCLYGCPSA-N 0 3 303.406 2.389 20 30 DEEDHN C#CCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001256486689 1143850935 /nfs/dbraw/zinc/85/09/35/1143850935.db2.gz WEYZWBHODONBMN-JKSUJKDBSA-N 0 3 321.465 2.025 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc(C)cc1F)CCOC ZINC001279048904 1143954402 /nfs/dbraw/zinc/95/44/02/1143954402.db2.gz FDQMYWOTDXMKMW-UHFFFAOYSA-N 0 3 308.397 2.388 20 30 DEEDHN C=CC[C@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)N(C)C)C1=O ZINC001262199850 1144298607 /nfs/dbraw/zinc/29/86/07/1144298607.db2.gz BWXJYGYTTWTKQI-CABCVRRESA-N 0 3 301.390 2.094 20 30 DEEDHN N#Cc1ccc(Br)nc1N[C@H]1CCN(C2CC2)C1 ZINC001262680409 1144326929 /nfs/dbraw/zinc/32/69/29/1144326929.db2.gz CAAZLFQUJKFTJB-JTQLQIEISA-N 0 3 307.195 2.364 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1CN1CCCC1=O ZINC001263077880 1144353981 /nfs/dbraw/zinc/35/39/81/1144353981.db2.gz SJUZECQKHSPWOJ-HNNXBMFYSA-N 0 3 315.417 2.431 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001263862990 1144414859 /nfs/dbraw/zinc/41/48/59/1144414859.db2.gz AHIWKFKEOXWDCT-JOCQHMNTSA-N 0 3 308.451 2.187 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](N[C@H](C)c3cnccn3)C2)C1 ZINC001263872831 1144418227 /nfs/dbraw/zinc/41/82/27/1144418227.db2.gz YKAKHCMUUOPGNS-RBSFLKMASA-N 0 3 314.433 2.378 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(CC)nn1C ZINC001264186088 1144501808 /nfs/dbraw/zinc/50/18/08/1144501808.db2.gz RKLUYQDTMMYBBX-HNNXBMFYSA-N 0 3 304.438 2.095 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cc(F)ccc1OC ZINC001264375263 1144518264 /nfs/dbraw/zinc/51/82/64/1144518264.db2.gz XXLKIJFFIFLVGJ-MRXNPFEDSA-N 0 3 320.408 2.486 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001264399688 1144529162 /nfs/dbraw/zinc/52/91/62/1144529162.db2.gz JHJOHKVNTQVFLV-MCIONIFRSA-N 0 3 302.422 2.234 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001264631056 1144582119 /nfs/dbraw/zinc/58/21/19/1144582119.db2.gz YKXNDMSEIFQKEA-VSZNYVQBSA-N 0 3 318.461 2.060 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCCCN(C(=O)C=C(C)C)C1 ZINC001264670831 1144588861 /nfs/dbraw/zinc/58/88/61/1144588861.db2.gz JAKBRPYYXWSIGQ-HOTGVXAUSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C ZINC001264715212 1144600286 /nfs/dbraw/zinc/60/02/86/1144600286.db2.gz POEFAJZAYQTRDZ-WBVHZDCISA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](OC)C2CCCC2)CC(C)(C)C1 ZINC001264755481 1144607536 /nfs/dbraw/zinc/60/75/36/1144607536.db2.gz SKNTVCHCHLMSCD-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001265020089 1144626685 /nfs/dbraw/zinc/62/66/85/1144626685.db2.gz XAFFAFDKLWFUHV-UHFFFAOYSA-N 0 3 301.365 2.382 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)Cc1ccsc1 ZINC001265037466 1144629962 /nfs/dbraw/zinc/62/99/62/1144629962.db2.gz BBHQFAILDZEMJD-CABCVRRESA-N 0 3 308.447 2.277 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C2CCCCCC2)CC1 ZINC001265257875 1144676826 /nfs/dbraw/zinc/67/68/26/1144676826.db2.gz REYHKYVPEHYSNV-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2ccc(OC)nn2)C1 ZINC001265310715 1144689992 /nfs/dbraw/zinc/68/99/92/1144689992.db2.gz UDCYQTPDXODBMB-AWEZNQCLSA-N 0 3 320.437 2.260 20 30 DEEDHN CC(F)(F)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001265343982 1144696674 /nfs/dbraw/zinc/69/66/74/1144696674.db2.gz QIGQXHSSZMMSMO-HNNXBMFYSA-N 0 3 306.356 2.178 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001265442859 1144704344 /nfs/dbraw/zinc/70/43/44/1144704344.db2.gz HTNPDAHTUUPLIM-HOCLYGCPSA-N 0 3 302.422 2.078 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cn(C)nc2C)C1 ZINC001265448516 1144704828 /nfs/dbraw/zinc/70/48/28/1144704828.db2.gz ZWFRFMILKIUQNB-HNNXBMFYSA-N 0 3 304.438 2.021 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2)C1 ZINC001265457464 1144705092 /nfs/dbraw/zinc/70/50/92/1144705092.db2.gz ZJJBKGUDILTUJG-INIZCTEOSA-N 0 3 300.402 2.301 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001265461335 1144705278 /nfs/dbraw/zinc/70/52/78/1144705278.db2.gz ONYGJRVZZLGRPJ-PBHICJAKSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001265607262 1144717364 /nfs/dbraw/zinc/71/73/64/1144717364.db2.gz MGUUHKMRGBWBRL-CQSZACIVSA-N 0 3 305.447 2.275 20 30 DEEDHN C=CCCC(=O)NC1CCC(NCc2cnc(C)cn2)CC1 ZINC001265731109 1144735339 /nfs/dbraw/zinc/73/53/39/1144735339.db2.gz CWQNKLLDRISESN-UHFFFAOYSA-N 0 3 302.422 2.268 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N1CCCCCC1 ZINC001265816153 1144743632 /nfs/dbraw/zinc/74/36/32/1144743632.db2.gz PUNONNPCOZTNDN-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001265945705 1144765159 /nfs/dbraw/zinc/76/51/59/1144765159.db2.gz VMJHYMDLESBYLM-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1cccc2cnccc21)C1CC1 ZINC001266142665 1144809222 /nfs/dbraw/zinc/80/92/22/1144809222.db2.gz DXZPIUIJVAEOJA-UHFFFAOYSA-N 0 3 321.424 2.381 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@H]1CC12CC(OCC)C2)C1CC1 ZINC001266159193 1144810553 /nfs/dbraw/zinc/81/05/53/1144810553.db2.gz IBDWIJIGCAEERQ-TVRKMHQQSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@]1(C)CCc2ccccc21)C1CC1 ZINC001266176535 1144811730 /nfs/dbraw/zinc/81/17/30/1144811730.db2.gz RZVSVDRQFNAKIG-FQEVSTJZSA-N 0 3 310.441 2.494 20 30 DEEDHN COCC#CCNCCN(Cc1ccccc1)C(=O)CC(C)C ZINC001279298206 1144820451 /nfs/dbraw/zinc/82/04/51/1144820451.db2.gz ZMNOYIRDCONMPP-UHFFFAOYSA-N 0 3 316.445 2.301 20 30 DEEDHN C=CCCCC(=O)N1C[C@H]2CN(CCOCC(F)F)C[C@H]2C1 ZINC001279389046 1144821768 /nfs/dbraw/zinc/82/17/68/1144821768.db2.gz YCSRXBXBEDFDCO-OKILXGFUSA-N 0 3 316.392 2.015 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001279509216 1144823529 /nfs/dbraw/zinc/82/35/29/1144823529.db2.gz INZLVAJMRXDQFC-WMLDXEAASA-N 0 3 322.474 2.371 20 30 DEEDHN C=CCCCN1CCC[C@@](CO)(NC(=O)c2cc(C)co2)C1 ZINC001279510465 1144823589 /nfs/dbraw/zinc/82/35/89/1144823589.db2.gz ZYHFJYFKDBDKNQ-QGZVFWFLSA-N 0 3 306.406 2.111 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)COC(C)(C)C)C1 ZINC001280010443 1144830963 /nfs/dbraw/zinc/83/09/63/1144830963.db2.gz 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/nfs/dbraw/zinc/87/82/69/1144878269.db2.gz PEKDDIYXPPSIPK-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1[nH]nc2ccccc21 ZINC001316611188 1144891594 /nfs/dbraw/zinc/89/15/94/1144891594.db2.gz OAUZJLRQVCYTSJ-AWEZNQCLSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001316611616 1144893928 /nfs/dbraw/zinc/89/39/28/1144893928.db2.gz VMOQGTVTGTXMSO-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCn2cc(Cl)cn2)C(C)(C)C1 ZINC001281568484 1144897871 /nfs/dbraw/zinc/89/78/71/1144897871.db2.gz VFNCZHQIEFLNQU-CQSZACIVSA-N 0 3 324.856 2.329 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@@H]1C ZINC001281670796 1144905006 /nfs/dbraw/zinc/90/50/06/1144905006.db2.gz RCMRZLGFTMQKHQ-KBPBESRZSA-N 0 3 307.442 2.358 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@@H]1C ZINC001281670796 1144905007 /nfs/dbraw/zinc/90/50/07/1144905007.db2.gz RCMRZLGFTMQKHQ-KBPBESRZSA-N 0 3 307.442 2.358 20 30 DEEDHN CC/C=C\CCN1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001281784499 1144913932 /nfs/dbraw/zinc/91/39/32/1144913932.db2.gz VNAKGVBWUMOAKB-AWFCHZOYSA-N 0 3 319.449 2.196 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC001281821276 1144915284 /nfs/dbraw/zinc/91/52/84/1144915284.db2.gz RGARBBRQOPVDSR-UHFFFAOYSA-N 0 3 324.371 2.098 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@H]1CNCc1cccnc1 ZINC001281897856 1144918697 /nfs/dbraw/zinc/91/86/97/1144918697.db2.gz WPDLPBJJEGNQQN-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@H](C)O ZINC001281905759 1144919135 /nfs/dbraw/zinc/91/91/35/1144919135.db2.gz NFHPSMAQNSCUSE-IAOVAPTHSA-N 0 3 316.445 2.341 20 30 DEEDHN CC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282095152 1144971709 /nfs/dbraw/zinc/97/17/09/1144971709.db2.gz KLVTVOPQPLEIIL-SJORKVTESA-N 0 3 314.429 2.280 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@@H](C)[C@@H](C)NC(=O)C#CC1CC1 ZINC001282128173 1144991076 /nfs/dbraw/zinc/99/10/76/1144991076.db2.gz HPIGPYZJAOHXIX-UONOGXRCSA-N 0 3 316.449 2.169 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCC(C)CC1 ZINC001282133923 1144997355 /nfs/dbraw/zinc/99/73/55/1144997355.db2.gz PVRAEJYYAOYNSA-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(=O)C(C)(C)C ZINC001282289070 1145030155 /nfs/dbraw/zinc/03/01/55/1145030155.db2.gz QJOSEZHSWCZATC-UHFFFAOYSA-N 0 3 302.846 2.428 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001282345275 1145043698 /nfs/dbraw/zinc/04/36/98/1145043698.db2.gz QRPKFKGIIQMBHM-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC001282824126 1145172728 /nfs/dbraw/zinc/17/27/28/1145172728.db2.gz RWVBBPJWWCDZDX-JJXSEGSLSA-N 0 3 306.450 2.062 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C3(c4ccccc4)CC3)[C@@H]2C1 ZINC001282885454 1145188398 /nfs/dbraw/zinc/18/83/98/1145188398.db2.gz LJZZAJNAGNBPSC-NNZMDNLPSA-N 0 3 308.425 2.036 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3ccccc3C)[C@@H]2C1 ZINC001282896671 1145192968 /nfs/dbraw/zinc/19/29/68/1145192968.db2.gz WDMLUGGGMIJEIB-FRYIKTPZSA-N 0 3 324.468 2.491 20 30 DEEDHN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC001364409261 1145230190 /nfs/dbraw/zinc/23/01/90/1145230190.db2.gz WZJYMEGIMZHUNL-OAHLLOKOSA-N 0 3 309.373 2.378 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNCc2cnc(C)cn2)C1 ZINC001283070508 1145256347 /nfs/dbraw/zinc/25/63/47/1145256347.db2.gz FYJRJNPGVKSSML-SHTZXODSSA-N 0 3 316.449 2.372 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001364455701 1145264157 /nfs/dbraw/zinc/26/41/57/1145264157.db2.gz OZFOYDCAGUKKGP-KDURUIRLSA-N 0 3 321.380 2.129 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1cccc2ccsc21 ZINC001283415536 1145399542 /nfs/dbraw/zinc/39/95/42/1145399542.db2.gz FNRDRQFASIHAOL-UHFFFAOYSA-N 0 3 316.426 2.213 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CCN(C(=O)CN(CC)CC)CC1 ZINC001283423727 1145405673 /nfs/dbraw/zinc/40/56/73/1145405673.db2.gz MJJWYLDRCRVLIB-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCc2cncn2C)CC1 ZINC001283664537 1145569511 /nfs/dbraw/zinc/56/95/11/1145569511.db2.gz ZDQMQDLCLCVXIZ-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C[C@H](CN(C)C(=O)c1nccs1)NCC#Cc1ccccc1 ZINC001283693378 1145591542 /nfs/dbraw/zinc/59/15/42/1145591542.db2.gz YENCRTVIMGSEHU-CQSZACIVSA-N 0 3 313.426 2.245 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)c2cccc(C#N)c2Br)CCN1C ZINC001364878120 1145648061 /nfs/dbraw/zinc/64/80/61/1145648061.db2.gz CBIXPLQDYVYMBJ-CABZTGNLSA-N 0 3 322.206 2.143 20 30 DEEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C#CC1CC1 ZINC001283982201 1145736441 /nfs/dbraw/zinc/73/64/41/1145736441.db2.gz LAVHHMGLXWKNHW-VQIMIIECSA-N 0 3 306.409 2.031 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CN(C)c2ccccc2)[C@@H]1C ZINC001284147794 1145807695 /nfs/dbraw/zinc/80/76/95/1145807695.db2.gz ADTNJFMZZUGTCW-WMZOPIPTSA-N 0 3 313.445 2.115 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCCOC2CCOCC2)[C@H]1C ZINC001284154767 1145809047 /nfs/dbraw/zinc/80/90/47/1145809047.db2.gz QGSZNPCCYLBMQT-NVXWUHKLSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CC[C@H](CNCc2ncc(C)s2)C1 ZINC001284169509 1145811287 /nfs/dbraw/zinc/81/12/87/1145811287.db2.gz KOVXSJZYBRIZRG-KBPBESRZSA-N 0 3 323.462 2.029 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC(OCC3CC3)CC2)c1 ZINC001365272177 1145834344 /nfs/dbraw/zinc/83/43/44/1145834344.db2.gz UYYKHPRSPZRNDH-GOSISDBHSA-N 0 3 300.402 2.483 20 30 DEEDHN CC(C)C#CC(=O)N(CCN(C)CCOC1CCC1)C(C)C ZINC001284534219 1145868221 /nfs/dbraw/zinc/86/82/21/1145868221.db2.gz ZZZVHMHOVPHTJB-UHFFFAOYSA-N 0 3 308.466 2.384 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)C=C(C)C)C1 ZINC001284740571 1145898164 /nfs/dbraw/zinc/89/81/64/1145898164.db2.gz MSBKEDKYIYNUCP-UHFFFAOYSA-N 0 3 301.228 2.440 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2cc(F)ccc2OC)CC1 ZINC001284968577 1145998581 /nfs/dbraw/zinc/99/85/81/1145998581.db2.gz MMALRCKDQGVFKR-UHFFFAOYSA-N 0 3 318.392 2.311 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)[C@@H](C)COC)C1 ZINC001365814665 1146018096 /nfs/dbraw/zinc/01/80/96/1146018096.db2.gz SNCXLJDNWQTYTK-DOERSZECSA-N 0 3 302.846 2.142 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001287679665 1146710482 /nfs/dbraw/zinc/71/04/82/1146710482.db2.gz NSBJXTNYROCMOQ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CCCCCCCC(=O)N1CCOC[C@]1(COC)CN(C)C ZINC001288225422 1146780173 /nfs/dbraw/zinc/78/01/73/1146780173.db2.gz BAGZMRUGECQFKB-QGZVFWFLSA-N 0 3 314.470 2.153 20 30 DEEDHN Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001316650320 1146851084 /nfs/dbraw/zinc/85/10/84/1146851084.db2.gz VLEBIJBMLQACGA-LSDHHAIUSA-N 0 3 317.433 2.407 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)nn1C ZINC001365919573 1146907993 /nfs/dbraw/zinc/90/79/93/1146907993.db2.gz ITIYLYZBYQEAOO-KBPBESRZSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2ccccc2C)C1 ZINC001366163741 1147086424 /nfs/dbraw/zinc/08/64/24/1147086424.db2.gz HOQAXFULVUPLDM-OKILXGFUSA-N 0 3 308.809 2.363 20 30 DEEDHN C[C@H](c1cccc(F)c1)N(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001492231194 1147172301 /nfs/dbraw/zinc/17/23/01/1147172301.db2.gz OAYZSHUNHPJUNO-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)CCOCC2CCC2)cc1 ZINC001492365702 1147229594 /nfs/dbraw/zinc/22/95/94/1147229594.db2.gz AATBQPAABHSJJM-UHFFFAOYSA-N 0 3 314.429 2.146 20 30 DEEDHN CO[C@H](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001366383144 1147245227 /nfs/dbraw/zinc/24/52/27/1147245227.db2.gz VJOFIBYCXMGVKL-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@@H](CCNC(=O)[C@@H]1CCCCO1)NCc1ccccc1C#N ZINC001366453588 1147290055 /nfs/dbraw/zinc/29/00/55/1147290055.db2.gz YZIFQZBIQRHAJN-YOEHRIQHSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2ccccc2nn1 ZINC001366471388 1147298826 /nfs/dbraw/zinc/29/88/26/1147298826.db2.gz KDFGMCBLMCRUOA-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cn1ncc2ccccc21 ZINC001366492466 1147310571 /nfs/dbraw/zinc/31/05/71/1147310571.db2.gz XJFPXKXHORBZKG-ZDUSSCGKSA-N 0 3 320.824 2.273 20 30 DEEDHN CN(CCNC(=O)CSCC#N)Cc1ccccc1C1CC1 ZINC001317439202 1147375977 /nfs/dbraw/zinc/37/59/77/1147375977.db2.gz NSGJZLIZBAOXLW-UHFFFAOYSA-N 0 3 317.458 2.369 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1ccc(C)cc1Cl ZINC001316851233 1147376724 /nfs/dbraw/zinc/37/67/24/1147376724.db2.gz VDIMKRQVMVMWLV-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)[C@@]1(C)CCc2ccccc21 ZINC001317472743 1147436100 /nfs/dbraw/zinc/43/61/00/1147436100.db2.gz KITFUPZGGVDUSI-IBGZPJMESA-N 0 3 316.445 2.141 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001317055148 1147582014 /nfs/dbraw/zinc/58/20/14/1147582014.db2.gz PHANGNBZCRZSAR-ZDUSSCGKSA-N 0 3 301.415 2.114 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1C[C@H](NC(=O)C#CC(C)C)C1 ZINC001317078293 1147583611 /nfs/dbraw/zinc/58/36/11/1147583611.db2.gz WUQFCRURUMTCQI-HDJSIYSDSA-N 0 3 305.447 2.156 20 30 DEEDHN C=CCCC(=O)NCCCN(CC)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001316888853 1147623927 /nfs/dbraw/zinc/62/39/27/1147623927.db2.gz XTNCQUYJYBLPPX-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CCC(C)(C)C1)C1CC1 ZINC001316923785 1147632635 /nfs/dbraw/zinc/63/26/35/1147632635.db2.gz USDMDQVHNVZAPY-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CCCCOCCN1CCC(N(C)C(=O)C#CC2CC2)CC1 ZINC001316931381 1147634070 /nfs/dbraw/zinc/63/40/70/1147634070.db2.gz UESCTXKQHFZXHV-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001367028406 1147636010 /nfs/dbraw/zinc/63/60/10/1147636010.db2.gz NXSSTRQVMPYSDF-XJKSGUPXSA-N 0 3 308.385 2.085 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001316983423 1147643483 /nfs/dbraw/zinc/64/34/83/1147643483.db2.gz XNLFTSVJMXAZIC-CHYADLBTSA-N 0 3 300.377 2.443 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC12CCN(Cc1cnn(C)c1)CC2 ZINC001316999983 1147646801 /nfs/dbraw/zinc/64/68/01/1147646801.db2.gz AFTUOVBFBINQHO-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN C[C@H](N[C@H]1CCN(C(=O)CSCC#N)C1)c1ccccc1F ZINC001317052977 1147653632 /nfs/dbraw/zinc/65/36/32/1147653632.db2.gz BTPZYVFHKJIHIX-STQMWFEESA-N 0 3 321.421 2.334 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001317060554 1147654590 /nfs/dbraw/zinc/65/45/90/1147654590.db2.gz XNIIDCNHQVEJEE-KRWDZBQOSA-N 0 3 307.397 2.305 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2sc(C)nc2C)C1 ZINC001317069429 1147655824 /nfs/dbraw/zinc/65/58/24/1147655824.db2.gz OVSWOMJRENHSHP-AWEZNQCLSA-N 0 3 323.462 2.043 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001317085333 1147657723 /nfs/dbraw/zinc/65/77/23/1147657723.db2.gz IICMKPYOXUQVKS-FVQBIDKESA-N 0 3 302.422 2.124 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001317084770 1147657752 /nfs/dbraw/zinc/65/77/52/1147657752.db2.gz XNPJTKUMJGMVKF-JOCQHMNTSA-N 0 3 319.453 2.195 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2csc(C)n2)C1 ZINC001317203686 1147676090 /nfs/dbraw/zinc/67/60/90/1147676090.db2.gz KAWGYCGDSUVLSG-UKRRQHHQSA-N 0 3 319.474 2.234 20 30 DEEDHN C[C@@H](CNC(=O)C#CC1CC1)N[C@@H]1CCc2c1cc(F)cc2F ZINC001317239480 1147681397 /nfs/dbraw/zinc/68/13/97/1147681397.db2.gz RNBPYUGPBGJYQU-APPDUMDISA-N 0 3 318.367 2.460 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001317382481 1147700097 /nfs/dbraw/zinc/70/00/97/1147700097.db2.gz RXUBNSLLIKNCBD-XJKSGUPXSA-N 0 3 316.449 2.076 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnn(CCC)c1)C(C)C ZINC001367479446 1147700293 /nfs/dbraw/zinc/70/02/93/1147700293.db2.gz FRSSMYKWOZWMCE-CQSZACIVSA-N 0 3 312.845 2.390 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C(C)C ZINC001367491480 1147701665 /nfs/dbraw/zinc/70/16/65/1147701665.db2.gz FEJYGUNBXIBXDI-KGLIPLIRSA-N 0 3 314.857 2.286 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ncc2n1CCCC2)C(C)C ZINC001367495543 1147702421 /nfs/dbraw/zinc/70/24/21/1147702421.db2.gz VAVOPUUJFYUFDG-CQSZACIVSA-N 0 3 324.856 2.316 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001317533033 1147721406 /nfs/dbraw/zinc/72/14/06/1147721406.db2.gz ASCYBLGBIQVXOZ-GFCCVEGCSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCOCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001317574017 1147727503 /nfs/dbraw/zinc/72/75/03/1147727503.db2.gz MUNDLMIRLMKNOC-LBPRGKRZSA-N 0 3 312.360 2.276 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)OCC1CC1 ZINC001367729354 1147734245 /nfs/dbraw/zinc/73/42/45/1147734245.db2.gz WEFCJXJUXKDOOG-RYUDHWBXSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001367748187 1147736929 /nfs/dbraw/zinc/73/69/29/1147736929.db2.gz CYWLMWUUIJIUGV-SPWCGHHHSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCCC(=O)N1CCC([C@H](C)NCc2nnc(C)[nH]2)CC1 ZINC001317679933 1147742862 /nfs/dbraw/zinc/74/28/62/1147742862.db2.gz ZSYKEBFDAVETTJ-ZDUSSCGKSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC001317727184 1147747789 /nfs/dbraw/zinc/74/77/89/1147747789.db2.gz LRWQOQITABIVDJ-YJBOKZPZSA-N 0 3 324.428 2.148 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccn(C)c1 ZINC001367798530 1147748042 /nfs/dbraw/zinc/74/80/42/1147748042.db2.gz SMNAYSYSSUNWQA-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCN(CCCF)C2)cn1 ZINC001317770672 1147750939 /nfs/dbraw/zinc/75/09/39/1147750939.db2.gz UIZNTNQMWKZHEV-QGZVFWFLSA-N 0 3 317.408 2.349 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)CCC2(C)CC2)C1 ZINC001317804672 1147754103 /nfs/dbraw/zinc/75/41/03/1147754103.db2.gz DIZQJDVZOFQYAR-INIZCTEOSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](CN(C)Cc2cnoc2C)C1 ZINC001317848932 1147757620 /nfs/dbraw/zinc/75/76/20/1147757620.db2.gz QJVJRDISQLUMMR-INIZCTEOSA-N 0 3 317.433 2.457 20 30 DEEDHN Cc1ccc(F)c(CNC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001367896423 1147767334 /nfs/dbraw/zinc/76/73/34/1147767334.db2.gz QCAASBIVDZZRNU-MLGOLLRUSA-N 0 3 303.381 2.278 20 30 DEEDHN CC(C)C[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)CSCC#N ZINC001318187975 1147791964 /nfs/dbraw/zinc/79/19/64/1147791964.db2.gz RIEHACXBDNQMNU-KKUMJFAQSA-N 0 3 309.479 2.210 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001318358551 1147815019 /nfs/dbraw/zinc/81/50/19/1147815019.db2.gz ZIEQSHPQWGNUGN-FUHWJXTLSA-N 0 3 316.445 2.492 20 30 DEEDHN CCCOc1cccc(CNC2(CNC(=O)[C@H](C)C#N)CC2)c1 ZINC001367988409 1147818661 /nfs/dbraw/zinc/81/86/61/1147818661.db2.gz CYOIASJJJZVISA-CQSZACIVSA-N 0 3 315.417 2.373 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)C3CC4(CC4)C3)CC2)cc1 ZINC001368023384 1147832813 /nfs/dbraw/zinc/83/28/13/1147832813.db2.gz WUERYTPTRUHIFX-UHFFFAOYSA-N 0 3 309.413 2.487 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001324971158 1147863394 /nfs/dbraw/zinc/86/33/94/1147863394.db2.gz FLHCKYLMOJCFAW-CRAIPNDOSA-N 0 3 318.465 2.003 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001325127645 1147878646 /nfs/dbraw/zinc/87/86/46/1147878646.db2.gz WUYADKVKZCXZHK-KRWDZBQOSA-N 0 3 322.836 2.391 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CCCOCC)C2)CC1 ZINC001325353205 1147895173 /nfs/dbraw/zinc/89/51/73/1147895173.db2.gz WVAVIOHUBVWLNM-SFHVURJKSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(CC=C(C)C)C1 ZINC001325838425 1148005655 /nfs/dbraw/zinc/00/56/55/1148005655.db2.gz ZPTSFWFSJFKJAC-SFHVURJKSA-N 0 3 308.466 2.498 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CCN2CCOC1CCC1 ZINC001325901545 1148017143 /nfs/dbraw/zinc/01/71/43/1148017143.db2.gz XNDSOIUXSDIMDO-ZWKOTPCHSA-N 0 3 318.461 2.280 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)[C@@H](C)CC1CCCCC1 ZINC001326103943 1148040732 /nfs/dbraw/zinc/04/07/32/1148040732.db2.gz QYKHORILCDEWNE-INIZCTEOSA-N 0 3 308.466 2.027 20 30 DEEDHN C=C(Br)CNCC[C@H]1CCN(C(=O)CCCF)C1 ZINC001326335223 1148079756 /nfs/dbraw/zinc/07/97/56/1148079756.db2.gz UVLWYDFNPRDXQC-LBPRGKRZSA-N 0 3 321.234 2.473 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccncc2F)cc1 ZINC001326468692 1148107974 /nfs/dbraw/zinc/10/79/74/1148107974.db2.gz NNPQYEAPAMCTOV-ZDUSSCGKSA-N 0 3 311.360 2.435 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cn(C)nc2CC)cc1 ZINC001326470130 1148109225 /nfs/dbraw/zinc/10/92/25/1148109225.db2.gz XTAXTRCNZHSDGS-CQSZACIVSA-N 0 3 324.428 2.196 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)CCCF)cccc2C1 ZINC001326674068 1148196984 /nfs/dbraw/zinc/19/69/84/1148196984.db2.gz HWHUGRVMLMZUQU-UHFFFAOYSA-N 0 3 302.393 2.434 20 30 DEEDHN C#CCNC1(CNC(=O)c2coc3c2cccc3OC)CCC1 ZINC001326822737 1148259501 /nfs/dbraw/zinc/25/95/01/1148259501.db2.gz PGQUDWIHBWNJBD-UHFFFAOYSA-N 0 3 312.369 2.317 20 30 DEEDHN Cc1ccccc1OCCN1CC[C@@](C)(NC(=O)[C@@H](C)C#N)C1 ZINC001368154046 1148283002 /nfs/dbraw/zinc/28/30/02/1148283002.db2.gz PJVYEVUVPQMVBM-MAUKXSAKSA-N 0 3 315.417 2.114 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC001327162686 1148340109 /nfs/dbraw/zinc/34/01/09/1148340109.db2.gz KMICOCMAVRKGDS-IAGOWNOFSA-N 0 3 314.429 2.448 20 30 DEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000181258746 199272323 /nfs/dbraw/zinc/27/23/23/199272323.db2.gz BEJUOGCSLQMEBK-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1c1cccc(F)c1C#N ZINC000278648542 214300666 /nfs/dbraw/zinc/30/06/66/214300666.db2.gz DLBPYKFXBUJJPW-ZDUSSCGKSA-N 0 3 303.381 2.387 20 30 DEEDHN CC[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(C#N)cc1 ZINC000447586770 529616132 /nfs/dbraw/zinc/61/61/32/529616132.db2.gz OQYQJJQVIIKSHX-YESZJQIVSA-N 0 3 315.417 2.235 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CSCC(F)(F)F)CC1 ZINC000090554073 185303003 /nfs/dbraw/zinc/30/30/03/185303003.db2.gz VETZQVMKCMKOCX-UHFFFAOYSA-N 0 3 310.385 2.439 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncccc2C(F)(F)F)CC1 ZINC000092415890 185317112 /nfs/dbraw/zinc/31/71/12/185317112.db2.gz OHZSMYKVZQEPKT-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc([S@](C)=O)c2)nc(C)n1 ZINC000613760289 362201043 /nfs/dbraw/zinc/20/10/43/362201043.db2.gz OYTXOKUIIGYJNJ-FPTDNZKUSA-N 0 3 313.382 2.321 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(C(F)(F)F)CCC2)C[C@@H]1C ZINC001328254645 1148755023 /nfs/dbraw/zinc/75/50/23/1148755023.db2.gz FJHAMEIRTJTIMW-RYUDHWBXSA-N 0 3 302.340 2.321 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3cnnn3)c(C)c2)n1 ZINC000073974130 539352340 /nfs/dbraw/zinc/35/23/40/539352340.db2.gz HPYBSQGQDVHAJA-GFCCVEGCSA-N 0 3 324.369 2.226 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cc(C#N)ccc1F ZINC000614194971 362313303 /nfs/dbraw/zinc/31/33/03/362313303.db2.gz PDISRLVSDZXUEJ-SJKOYZFVSA-N 0 3 315.392 2.434 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000615526889 362627576 /nfs/dbraw/zinc/62/75/76/362627576.db2.gz FJRHVCSIGXKKRG-INIZCTEOSA-N 0 3 320.368 2.096 20 30 DEEDHN C=CCOc1cccc(CNCC2(S(C)(=O)=O)CCC2)c1 ZINC000279669007 215046000 /nfs/dbraw/zinc/04/60/00/215046000.db2.gz HJIFWPXPPQGBFN-UHFFFAOYSA-N 0 3 309.431 2.308 20 30 DEEDHN CN(C)C(=O)Nc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000279889979 215210088 /nfs/dbraw/zinc/21/00/88/215210088.db2.gz OPEVBSCUAPTGII-UHFFFAOYSA-N 0 3 311.389 2.280 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCN(C3CCC3)CC2)cc1 ZINC000265156623 186343612 /nfs/dbraw/zinc/34/36/12/186343612.db2.gz UYHANUQGBXAJJB-UHFFFAOYSA-N 0 3 312.417 2.057 20 30 DEEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCCSCC#N ZINC000072518017 191185677 /nfs/dbraw/zinc/18/56/77/191185677.db2.gz SMZCOVXIKGKCLS-GFCCVEGCSA-N 0 3 301.456 2.478 20 30 DEEDHN CCN1CCC[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000328903673 539911781 /nfs/dbraw/zinc/91/17/81/539911781.db2.gz IFIJWFWEMJPSIS-LBPRGKRZSA-N 0 3 303.362 2.456 20 30 DEEDHN Cc1csc(C(C)(C)NC(=O)N[C@H]2CCN(C3CC3)C2)n1 ZINC000329313234 539917802 /nfs/dbraw/zinc/91/78/02/539917802.db2.gz DCKGLXDKSXHZTC-NSHDSACASA-N 0 3 308.451 2.427 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000329558307 539923216 /nfs/dbraw/zinc/92/32/16/539923216.db2.gz HXYVXCJJXXKVQH-IJEWVQPXSA-N 0 3 321.465 2.464 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000329550744 539923394 /nfs/dbraw/zinc/92/33/94/539923394.db2.gz FOWFQRQAWUJWBC-BETUJISGSA-N 0 3 307.438 2.217 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@H]2CC(C)C)CC1 ZINC000073059392 191274794 /nfs/dbraw/zinc/27/47/94/191274794.db2.gz WOIQJZTULKHHOU-QGZVFWFLSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCCSCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000595549324 358480464 /nfs/dbraw/zinc/48/04/64/358480464.db2.gz CLSYTYGBAKUOCW-CQSZACIVSA-N 0 3 317.524 2.032 20 30 DEEDHN C=CCOc1ccc(C(=O)NC2CCN(CC)CC2)cc1OC ZINC000029607928 354113632 /nfs/dbraw/zinc/11/36/32/354113632.db2.gz ZTOVGKOJQHVYOU-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN Cc1ncc(CO)c(/C=N/Cc2cccc(C[NH+](C)C)c2)c1[O-] ZINC000031854673 354141784 /nfs/dbraw/zinc/14/17/84/354141784.db2.gz WEKLYZLDYCBPAX-VXLYETTFSA-N 0 3 313.401 2.269 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1OC ZINC000057722277 354579320 /nfs/dbraw/zinc/57/93/20/354579320.db2.gz RLASRMAXUKJFHZ-ZDUSSCGKSA-N 0 3 318.417 2.473 20 30 DEEDHN COc1cccc(N2CC[C@H](NCc3cc(C#N)n(C)c3)C2)c1 ZINC000277002403 213232701 /nfs/dbraw/zinc/23/27/01/213232701.db2.gz ZVJADXVPFLCELR-HNNXBMFYSA-N 0 3 310.401 2.274 20 30 DEEDHN CCOCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930487 354695189 /nfs/dbraw/zinc/69/51/89/354695189.db2.gz SGDCWHKKFINCPW-UHFFFAOYSA-N 0 3 317.433 2.265 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000069806227 354877890 /nfs/dbraw/zinc/87/78/90/354877890.db2.gz DDNQREAQEBRAAN-SECBINFHSA-N 0 3 319.785 2.085 20 30 DEEDHN C[C@H](NC(=O)N(C)CCN1CCCC1)c1cccc(C#N)c1 ZINC000074916985 355058548 /nfs/dbraw/zinc/05/85/48/355058548.db2.gz HDPMOPXXZOGCFX-AWEZNQCLSA-N 0 3 300.406 2.356 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(CC2CCOCC2)CC1 ZINC000078293079 355251752 /nfs/dbraw/zinc/25/17/52/355251752.db2.gz JKUFWAQAPGNWEQ-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN N#CCSc1cccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000079536592 355315633 /nfs/dbraw/zinc/31/56/33/355315633.db2.gz QFWQAZKFBOSIOA-CYBMUJFWSA-N 0 3 301.415 2.269 20 30 DEEDHN CC1(C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000083690580 355468956 /nfs/dbraw/zinc/46/89/56/355468956.db2.gz GWHWORHBSNUYIJ-OAHLLOKOSA-N 0 3 320.458 2.320 20 30 DEEDHN C=C(Cl)COc1ccc([C@H](C)NCC2(CO)COC2)cc1 ZINC000090606409 355563883 /nfs/dbraw/zinc/56/38/83/355563883.db2.gz BLVJINRUMDGPHD-ZDUSSCGKSA-N 0 3 311.809 2.477 20 30 DEEDHN Cc1ccsc1CNC[C@@H](O)COc1ccccc1C#N ZINC000094879753 355696306 /nfs/dbraw/zinc/69/63/06/355696306.db2.gz SWRQGBFCXDMXOB-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108306275 355733209 /nfs/dbraw/zinc/73/32/09/355733209.db2.gz FVOKXQDMTGLDPF-HNNXBMFYSA-N 0 3 300.402 2.466 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000171483977 356003339 /nfs/dbraw/zinc/00/33/39/356003339.db2.gz WYYHXKRURUTAQT-ZDUSSCGKSA-N 0 3 318.396 2.228 20 30 DEEDHN COc1cccc(COC[C@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000595609839 358500162 /nfs/dbraw/zinc/50/01/62/358500162.db2.gz PXZQCNFPRVAVOT-NVXWUHKLSA-N 0 3 318.417 2.198 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000182542984 356131618 /nfs/dbraw/zinc/13/16/18/356131618.db2.gz WUTRTILXYHHWOT-GOEBONIOSA-N 0 3 300.406 2.282 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000182621611 356134343 /nfs/dbraw/zinc/13/43/43/356134343.db2.gz ZJGOCGQRWCZWSA-UONOGXRCSA-N 0 3 320.462 2.419 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)C#N)c1 ZINC000182839076 356148416 /nfs/dbraw/zinc/14/84/16/356148416.db2.gz JRGDHCUDVLVZDI-HNNXBMFYSA-N 0 3 302.422 2.228 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2COCCO2)c(C(F)(F)F)c1 ZINC000352821460 283145753 /nfs/dbraw/zinc/14/57/53/283145753.db2.gz GZGXHMLPEPGRTO-GFCCVEGCSA-N 0 3 300.280 2.082 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCO[C@@H](C)C1 ZINC000245400370 356308427 /nfs/dbraw/zinc/30/84/27/356308427.db2.gz BXGRWJNIOXMOTI-DOTOQJQBSA-N 0 3 305.418 2.266 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(CCO)CC1 ZINC000400943804 283158938 /nfs/dbraw/zinc/15/89/38/283158938.db2.gz UCODHZYHIIHRMY-UHFFFAOYSA-N 0 3 307.419 2.043 20 30 DEEDHN CN(c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1)S(C)(=O)=O ZINC000618568006 363529612 /nfs/dbraw/zinc/52/96/12/363529612.db2.gz IFDITCILMIUHLU-GJZGRUSLSA-N 0 3 321.446 2.254 20 30 DEEDHN N#Cc1cnc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000368130720 283235359 /nfs/dbraw/zinc/23/53/59/283235359.db2.gz FPGIPHYWJUEJBI-IAGOWNOFSA-N 0 3 319.412 2.307 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000580813696 357083390 /nfs/dbraw/zinc/08/33/90/357083390.db2.gz UZVQZKISWHVJKF-HNNXBMFYSA-N 0 3 302.418 2.394 20 30 DEEDHN C[C@H]1CC(NCCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)C1 ZINC000580888170 357096625 /nfs/dbraw/zinc/09/66/25/357096625.db2.gz IRBVHFQGHDXBLN-CHWSQXEVSA-N 0 3 321.446 2.141 20 30 DEEDHN Cc1cc(N[C@@H](CO)CN(C)C)n2c3ccccc3nc2c1C#N ZINC000589101431 357443112 /nfs/dbraw/zinc/44/31/12/357443112.db2.gz DHQYEDZMVGHFDX-CYBMUJFWSA-N 0 3 323.400 2.002 20 30 DEEDHN CCn1ccnc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000589194452 357453499 /nfs/dbraw/zinc/45/34/99/357453499.db2.gz CHWNSVMGVMBPDG-UHFFFAOYSA-N 0 3 311.433 2.338 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC000292356359 223016537 /nfs/dbraw/zinc/01/65/37/223016537.db2.gz XRGSLXQYTPQAHH-ROUUACIJSA-N 0 3 323.396 2.010 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)c3cc4ccccc4n3CC#N)[C@@H]2C1 ZINC000591803513 357762959 /nfs/dbraw/zinc/76/29/59/357762959.db2.gz IHPXCVGZICPZAA-MAUKXSAKSA-N 0 3 322.412 2.331 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000179229190 199002262 /nfs/dbraw/zinc/00/22/62/199002262.db2.gz DBGUBCGIHOCMQN-LBPRGKRZSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nnc(C)s2)CC1 ZINC000660596970 540309972 /nfs/dbraw/zinc/30/99/72/540309972.db2.gz KFZMUVSIMZKBKC-UHFFFAOYSA-N 0 3 323.466 2.028 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOc3ccccc3C2)CC1 ZINC000592526139 357895381 /nfs/dbraw/zinc/89/53/81/357895381.db2.gz SQJFKCZGJJPDKD-UHFFFAOYSA-N 0 3 315.417 2.241 20 30 DEEDHN CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000592832769 357954155 /nfs/dbraw/zinc/95/41/55/357954155.db2.gz VRSCASAFPVWLDS-HOCLYGCPSA-N 0 3 315.417 2.268 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H](C)C2CCOCC2)c(C#N)c1C ZINC000179876863 199091021 /nfs/dbraw/zinc/09/10/21/199091021.db2.gz UEIDOLBSMWYCMM-NEPJUHHUSA-N 0 3 319.405 2.500 20 30 DEEDHN CCOC(=O)[C@@]1(NC(=O)C(C#N)CC)CCc2ccccc21 ZINC000593470882 358086338 /nfs/dbraw/zinc/08/63/38/358086338.db2.gz NQATYDXUKWGIAJ-SJKOYZFVSA-N 0 3 300.358 2.057 20 30 DEEDHN Cn1nccc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693028 358124348 /nfs/dbraw/zinc/12/43/48/358124348.db2.gz MDJWMHNIVIGFNV-UHFFFAOYSA-N 0 3 309.417 2.046 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000329223555 283339323 /nfs/dbraw/zinc/33/93/23/283339323.db2.gz YGIAFJGOJXRKKJ-LSDHHAIUSA-N 0 3 309.454 2.464 20 30 DEEDHN Cn1cc(CN[C@H]2C[C@@H](O)C2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180448782 199159799 /nfs/dbraw/zinc/15/97/99/199159799.db2.gz XXAVEUBEAMWSOV-JKSUJKDBSA-N 0 3 310.401 2.208 20 30 DEEDHN Cc1csc(NC(=O)NC[C@]2(N(C)C)CCSC2)c1C#N ZINC000594111068 358207547 /nfs/dbraw/zinc/20/75/47/358207547.db2.gz QPCPRZORHUHWRL-CQSZACIVSA-N 0 3 324.475 2.487 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594196143 358221030 /nfs/dbraw/zinc/22/10/30/358221030.db2.gz LAPUXDZMEVHMMP-HZPDHXFCSA-N 0 3 301.365 2.444 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000594371368 358250818 /nfs/dbraw/zinc/25/08/18/358250818.db2.gz HBPJKYYDZWGGCB-FHLIZLRMSA-N 0 3 311.429 2.289 20 30 DEEDHN CN(CCOc1ccc(F)cc1)C(=O)[C@H](N)CCCCC#N ZINC000594429905 358268191 /nfs/dbraw/zinc/26/81/91/358268191.db2.gz SMELOBYCCILRGK-OAHLLOKOSA-N 0 3 307.369 2.074 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594600507 358302864 /nfs/dbraw/zinc/30/28/64/358302864.db2.gz LQXNPNRJQYERLO-ZIAGYGMSSA-N 0 3 301.350 2.290 20 30 DEEDHN C=CCC[C@H](NC1CCN(C[C@H]2CCCO2)CC1)C(=O)OCC ZINC000594610021 358305618 /nfs/dbraw/zinc/30/56/18/358305618.db2.gz RLBIOJBRVQCRAX-SJORKVTESA-N 0 3 324.465 2.117 20 30 DEEDHN COc1cc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)ccc1C#N ZINC000594965052 358370246 /nfs/dbraw/zinc/37/02/46/358370246.db2.gz HUGBRHGIYXWXJN-VTJXTGGHSA-N 0 3 306.431 2.346 20 30 DEEDHN C=CCN(CCC#N)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595245130 358404762 /nfs/dbraw/zinc/40/47/62/358404762.db2.gz GHZGCVWSCLGCKZ-MRXNPFEDSA-N 0 3 314.389 2.281 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000595658692 358514227 /nfs/dbraw/zinc/51/42/27/358514227.db2.gz HMRBHEMEHVJHOB-HNNXBMFYSA-N 0 3 322.449 2.076 20 30 DEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000595658087 358514431 /nfs/dbraw/zinc/51/44/31/358514431.db2.gz FNRGYXCEWXSIDR-LSDHHAIUSA-N 0 3 322.449 2.075 20 30 DEEDHN CN(C)CCN(CCCc1ccccc1)c1cc(C#N)cnn1 ZINC000596158720 358625463 /nfs/dbraw/zinc/62/54/63/358625463.db2.gz HUIQGMSYBJTFPM-UHFFFAOYSA-N 0 3 309.417 2.349 20 30 DEEDHN CN1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC12CCCCC2 ZINC000596251138 358652524 /nfs/dbraw/zinc/65/25/24/358652524.db2.gz OTUMXBOXFZDOIQ-UHFFFAOYSA-N 0 3 315.377 2.316 20 30 DEEDHN CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H](CC#N)C2)n1 ZINC000596326644 358668343 /nfs/dbraw/zinc/66/83/43/358668343.db2.gz XWUFSJDJHUQNCS-LBPRGKRZSA-N 0 3 317.441 2.066 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000596708740 358744465 /nfs/dbraw/zinc/74/44/65/358744465.db2.gz PPENHONIEYUPFD-CYBMUJFWSA-N 0 3 302.378 2.173 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000597616075 358963445 /nfs/dbraw/zinc/96/34/45/358963445.db2.gz COOSVNSCBWKYRS-HOCLYGCPSA-N 0 3 323.481 2.256 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597904991 359036119 /nfs/dbraw/zinc/03/61/19/359036119.db2.gz WAWHCILRKJPCFK-IRXDYDNUSA-N 0 3 306.369 2.393 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597921793 359041821 /nfs/dbraw/zinc/04/18/21/359041821.db2.gz AYXKUWODKMKIQS-ZFWWWQNUSA-N 0 3 315.417 2.315 20 30 DEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ncc(C#N)cc1Cl)C2 ZINC000597714765 358986496 /nfs/dbraw/zinc/98/64/96/358986496.db2.gz JFCNAAYZFTWZTJ-MRXNPFEDSA-N 0 3 318.808 2.165 20 30 DEEDHN CC(C#N)C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000597747563 358996535 /nfs/dbraw/zinc/99/65/35/358996535.db2.gz DFHFALLNYOJTRX-SDBXPKJASA-N 0 3 301.173 2.477 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](CO)CC1CC1 ZINC000598293695 359153891 /nfs/dbraw/zinc/15/38/91/359153891.db2.gz SSGWRVDEUJZLKA-DLBZAZTESA-N 0 3 300.402 2.284 20 30 DEEDHN CC(C)OC(=O)C[C@@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598604211 359259092 /nfs/dbraw/zinc/25/90/92/359259092.db2.gz KHBRIGWNAMKMKM-LSDHHAIUSA-N 0 3 310.438 2.341 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000598599259 359256615 /nfs/dbraw/zinc/25/66/15/359256615.db2.gz IMYDLRXPJMXCBO-HNNXBMFYSA-N 0 3 323.481 2.352 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNC[C@H](c1ccco1)N1CCCC1 ZINC000598703390 359298304 /nfs/dbraw/zinc/29/83/04/359298304.db2.gz HDQJPDYCYYCSPK-HUUCEWRRSA-N 0 3 305.422 2.307 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN[C@]1(CO)CCCc2ccccc21 ZINC000598621923 359264151 /nfs/dbraw/zinc/26/41/51/359264151.db2.gz WUKGTBTVENFWBG-YJBOKZPZSA-N 0 3 302.418 2.101 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598643853 359272897 /nfs/dbraw/zinc/27/28/97/359272897.db2.gz UYCBUZONDBOPQN-ZBFHGGJFSA-N 0 3 304.390 2.044 20 30 DEEDHN C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)N1 ZINC000599101802 359403993 /nfs/dbraw/zinc/40/39/93/359403993.db2.gz BYLWQMNGCDVXJP-PHIMTYICSA-N 0 3 311.345 2.201 20 30 DEEDHN COc1ccc([C@@H](NC[C@@H](O)CC(C)(C)C#N)C2CC2)cn1 ZINC000599703673 359579741 /nfs/dbraw/zinc/57/97/41/359579741.db2.gz QPHPBWRUTIFGDD-HOCLYGCPSA-N 0 3 303.406 2.432 20 30 DEEDHN COc1ccc([C@@H](NC[C@H](O)CC(C)(C)C#N)C2CC2)cn1 ZINC000599703674 359579939 /nfs/dbraw/zinc/57/99/39/359579939.db2.gz QPHPBWRUTIFGDD-ZBFHGGJFSA-N 0 3 303.406 2.432 20 30 DEEDHN COc1ccc([C@H](NC[C@H](O)CC(C)(C)C#N)C2CC2)cn1 ZINC000599703671 359580116 /nfs/dbraw/zinc/58/01/16/359580116.db2.gz QPHPBWRUTIFGDD-GDBMZVCRSA-N 0 3 303.406 2.432 20 30 DEEDHN CC(C)OCCOC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000187119156 200063779 /nfs/dbraw/zinc/06/37/79/200063779.db2.gz IMYVYUYTWPTRDA-YJBOKZPZSA-N 0 3 320.433 2.354 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2CCOC)CC1 ZINC000188221890 200211287 /nfs/dbraw/zinc/21/12/87/200211287.db2.gz SCYRNTRGCGNSSI-UHFFFAOYSA-N 0 3 300.402 2.159 20 30 DEEDHN CC[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccncc1 ZINC000600722819 359811228 /nfs/dbraw/zinc/81/12/28/359811228.db2.gz ITHNGJUJCQAIKO-SJORKVTESA-N 0 3 311.385 2.434 20 30 DEEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccccc1C#N ZINC000188260442 200218113 /nfs/dbraw/zinc/21/81/13/200218113.db2.gz BLGOIXZKQMHURZ-UHFFFAOYSA-N 0 3 321.446 2.055 20 30 DEEDHN Cc1conc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000601000325 359888667 /nfs/dbraw/zinc/88/86/67/359888667.db2.gz QZJIEHWPGHSMOI-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000601548285 360069689 /nfs/dbraw/zinc/06/96/89/360069689.db2.gz NPHYJCICDNVSJY-JKSUJKDBSA-N 0 3 319.380 2.217 20 30 DEEDHN CC1(C)CN(C[C@@H](O)COc2ccccc2C#N)[C@@H]1C1CC1 ZINC000601956134 360208859 /nfs/dbraw/zinc/20/88/59/360208859.db2.gz FBCDAPZSIVLWHK-NVXWUHKLSA-N 0 3 300.402 2.418 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000602570509 360438785 /nfs/dbraw/zinc/43/87/85/360438785.db2.gz BANSTSZJYVKQDE-UONOGXRCSA-N 0 3 307.438 2.074 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCC(=O)NC1CCCCC1 ZINC000602536290 360422263 /nfs/dbraw/zinc/42/22/63/360422263.db2.gz AHUQYLYRZJIGLQ-CQSZACIVSA-N 0 3 307.438 2.124 20 30 DEEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cccc(C#N)n2)C1 ZINC000602638766 360471098 /nfs/dbraw/zinc/47/10/98/360471098.db2.gz WMPCHLDKEFTXON-KRWDZBQOSA-N 0 3 301.390 2.364 20 30 DEEDHN N#CCC1(CNCc2cnn3cc(Br)cnc23)CC1 ZINC000602642066 360472711 /nfs/dbraw/zinc/47/27/11/360472711.db2.gz HOYGMKACZXOCBX-UHFFFAOYSA-N 0 3 320.194 2.275 20 30 DEEDHN CS(=O)(=O)N(CCCN1CCCCC1)c1cccc(C#N)c1 ZINC000281236120 216173188 /nfs/dbraw/zinc/17/31/88/216173188.db2.gz SOLNOWYGDNWVTR-UHFFFAOYSA-N 0 3 321.446 2.200 20 30 DEEDHN COC(=O)[C@](C)(CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602629142 360466107 /nfs/dbraw/zinc/46/61/07/360466107.db2.gz JDVSHOOUAUAJOM-GOSISDBHSA-N 0 3 309.369 2.174 20 30 DEEDHN CCC[C@@H](CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602631745 360468338 /nfs/dbraw/zinc/46/83/38/360468338.db2.gz RJAKAMGIJBHVHT-IRXDYDNUSA-N 0 3 315.417 2.064 20 30 DEEDHN CCC[C@H](CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602631744 360468422 /nfs/dbraw/zinc/46/84/22/360468422.db2.gz RJAKAMGIJBHVHT-IAGOWNOFSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1c(C2CC2)cnn1C ZINC000602712409 360513087 /nfs/dbraw/zinc/51/30/87/360513087.db2.gz VIOOJAQIZJGPIA-ZDUSSCGKSA-N 0 3 302.422 2.486 20 30 DEEDHN CC[C@@H](NCC1(CC#N)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000602803729 360563113 /nfs/dbraw/zinc/56/31/13/360563113.db2.gz DARIYLPHDUJOHW-CQSZACIVSA-N 0 3 307.419 2.069 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000668832004 540738813 /nfs/dbraw/zinc/73/88/13/540738813.db2.gz WCEMLEJYTLAXCT-KBXCAEBGSA-N 0 3 302.418 2.265 20 30 DEEDHN N#Cc1cnn2cc(CNCCSc3ccccc3)cnc12 ZINC000603892919 360870641 /nfs/dbraw/zinc/87/06/41/360870641.db2.gz FYHSULVTOQYLJP-UHFFFAOYSA-N 0 3 309.398 2.483 20 30 DEEDHN C[C@@H](NCCN1CCOC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000271932643 209334229 /nfs/dbraw/zinc/33/42/29/209334229.db2.gz ITEXIJABLYQSLU-CYBMUJFWSA-N 0 3 305.397 2.459 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)C#N)cc2)CC1 ZINC000609523712 361317908 /nfs/dbraw/zinc/31/79/08/361317908.db2.gz KXLBDWZMJXJWHU-HNNXBMFYSA-N 0 3 314.433 2.106 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000610399650 361393983 /nfs/dbraw/zinc/39/39/83/361393983.db2.gz QVKXFUGXXCBZQR-AWEZNQCLSA-N 0 3 310.401 2.236 20 30 DEEDHN CC(C)(CNCc1cccc(OCCCC#N)c1)S(C)(=O)=O ZINC000610511597 361413905 /nfs/dbraw/zinc/41/39/05/361413905.db2.gz MUAXBERDHJTANU-UHFFFAOYSA-N 0 3 324.446 2.282 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CCC(=O)OCC)C1 ZINC000611037502 361516665 /nfs/dbraw/zinc/51/66/65/361516665.db2.gz SFEDMCPMNSPQHQ-MRXNPFEDSA-N 0 3 324.465 2.466 20 30 DEEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCC(=O)N(C)CCC#N ZINC000611554334 361628974 /nfs/dbraw/zinc/62/89/74/361628974.db2.gz LWEOKBQLYWPHEM-VXGBXAGGSA-N 0 3 305.344 2.411 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000271862860 209276612 /nfs/dbraw/zinc/27/66/12/209276612.db2.gz YCMCPOALUCOVON-OFTJQPPSSA-N 0 3 315.442 2.075 20 30 DEEDHN C=C[C@H](CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)c1ccccc1 ZINC000673513724 541116601 /nfs/dbraw/zinc/11/66/01/541116601.db2.gz OFDKYVOVRBBPMK-NJAFHUGGSA-N 0 3 314.429 2.014 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2(C#N)CC2)C1 ZINC000619534447 363820063 /nfs/dbraw/zinc/82/00/63/363820063.db2.gz GVGVDSCZNGTTIR-MRXNPFEDSA-N 0 3 312.417 2.206 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(CC(F)(F)F)C2)CC1 ZINC000675422627 541334576 /nfs/dbraw/zinc/33/45/76/541334576.db2.gz KPERFOXBCXRNPS-UHFFFAOYSA-N 0 3 305.344 2.231 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)NCCC)cc1 ZINC000449079012 240024337 /nfs/dbraw/zinc/02/43/37/240024337.db2.gz NNZKIZMZAYWKRF-GFCCVEGCSA-N 0 3 304.394 2.321 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2cc(C#N)n(C)c2)C[C@@H]1c1ccccc1 ZINC000449752847 241038307 /nfs/dbraw/zinc/03/83/07/241038307.db2.gz DJRCMAKHGGGDLR-QZTJIDSGSA-N 0 3 323.396 2.285 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc3c2O[C@H](C)C3)CC1 ZINC000449846607 241160572 /nfs/dbraw/zinc/16/05/72/241160572.db2.gz ZJUIVIRGRLTZCX-CYBMUJFWSA-N 0 3 300.402 2.390 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000677047908 541538111 /nfs/dbraw/zinc/53/81/11/541538111.db2.gz KEBPPHAHSHKMFB-GJZGRUSLSA-N 0 3 304.438 2.121 20 30 DEEDHN C=CCN(Cc1ccccc1)S(=O)(=O)CCCN1CCCC1 ZINC000631723157 368358357 /nfs/dbraw/zinc/35/83/57/368358357.db2.gz MXNMZCFVNZAWAH-UHFFFAOYSA-N 0 3 322.474 2.490 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000451594097 243174214 /nfs/dbraw/zinc/17/42/14/243174214.db2.gz AFBWYYHSLAPTAO-DIECFANBSA-N 0 3 302.418 2.494 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCc2ccccc2CC1 ZINC000451712414 243342585 /nfs/dbraw/zinc/34/25/85/243342585.db2.gz QPLWJNOOCJDMLI-MRXNPFEDSA-N 0 3 313.445 2.485 20 30 DEEDHN C=CCOc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000678237974 541696461 /nfs/dbraw/zinc/69/64/61/541696461.db2.gz NNIXCPXEDPPIPS-RTBURBONSA-N 0 3 316.445 2.282 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452535744 244369332 /nfs/dbraw/zinc/36/93/32/244369332.db2.gz RCOIDVKSWHSECJ-JOYOIKCWSA-N 0 3 300.280 2.405 20 30 DEEDHN COC(=O)[C@@H]1CSCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000332236810 284146317 /nfs/dbraw/zinc/14/63/17/284146317.db2.gz RYEKBBZBNFNSHA-DOMZBBRYSA-N 0 3 304.415 2.457 20 30 DEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000424329106 296157318 /nfs/dbraw/zinc/15/73/18/296157318.db2.gz OZULTTQEFIETHX-VNHYZAJKSA-N 0 3 321.446 2.280 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000264972219 204315872 /nfs/dbraw/zinc/31/58/72/204315872.db2.gz PPBZBBRILBUGDF-DZKIICNBSA-N 0 3 313.401 2.021 20 30 DEEDHN C=CCOCCNCc1cnc2ccc(Br)cn12 ZINC000679485191 541861578 /nfs/dbraw/zinc/86/15/78/541861578.db2.gz AKBLLJREIFQVMT-UHFFFAOYSA-N 0 3 310.195 2.389 20 30 DEEDHN C=CCOCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000679480662 541861086 /nfs/dbraw/zinc/86/10/86/541861086.db2.gz VUUWLTMATKVOAO-QGZVFWFLSA-N 0 3 317.433 2.325 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000265964419 205002636 /nfs/dbraw/zinc/00/26/36/205002636.db2.gz ROUHFZOMTPQHID-HNNXBMFYSA-N 0 3 300.402 2.112 20 30 DEEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000266021961 205033667 /nfs/dbraw/zinc/03/36/67/205033667.db2.gz RFZOXDWYSIWRGV-AEAUEXCSSA-N 0 3 313.401 2.288 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CN1C1CC1 ZINC000454647432 246023081 /nfs/dbraw/zinc/02/30/81/246023081.db2.gz CSPJNYBWTAKSSH-FZMZJTMJSA-N 0 3 316.380 2.122 20 30 DEEDHN C=CCNC(=O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000679936736 541931720 /nfs/dbraw/zinc/93/17/20/541931720.db2.gz BFINFLFFJWUDGG-KRWDZBQOSA-N 0 3 301.434 2.105 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456334131 247097894 /nfs/dbraw/zinc/09/78/94/247097894.db2.gz LZNSURLYFDCFKH-APWZRJJASA-N 0 3 316.445 2.294 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CO)[C@H](C)c1ccccc1 ZINC000680989358 542078728 /nfs/dbraw/zinc/07/87/28/542078728.db2.gz FICQOOMRCPUDDV-SOLBZPMBSA-N 0 3 316.445 2.330 20 30 DEEDHN CCOC(=O)[C@@](C)(O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000274157070 211386842 /nfs/dbraw/zinc/38/68/42/211386842.db2.gz DPWGRYYCCHOKMY-DYVFJYSZSA-N 0 3 304.390 2.255 20 30 DEEDHN Cn1nccc1CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000284471605 218040592 /nfs/dbraw/zinc/04/05/92/218040592.db2.gz SQPRCJCKCFZBNH-UHFFFAOYSA-N 0 3 310.401 2.378 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC3(CCOCC3)CC2)cc1 ZINC000284935150 218241274 /nfs/dbraw/zinc/24/12/74/218241274.db2.gz YLFVTCSMCMIGIP-QGZVFWFLSA-N 0 3 300.402 2.484 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3onc(C)c3c2)CC1 ZINC000106037209 194180906 /nfs/dbraw/zinc/18/09/06/194180906.db2.gz FVBPVCRZEFFQMD-UHFFFAOYSA-N 0 3 314.389 2.302 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN(CCO)Cc2ccccc2)cc1 ZINC000064845234 184304616 /nfs/dbraw/zinc/30/46/16/184304616.db2.gz ZUUGQRVDFVGUCN-UHFFFAOYSA-N 0 3 323.396 2.381 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CCC[C@H]1O ZINC000270048362 208103514 /nfs/dbraw/zinc/10/35/14/208103514.db2.gz FDXDTIOUPLBJSX-LSDHHAIUSA-N 0 3 304.390 2.038 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272879669 210270484 /nfs/dbraw/zinc/27/04/84/210270484.db2.gz CDEVAHJFFCNORT-OAHLLOKOSA-N 0 3 316.449 2.487 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2cc(C)n[nH]2)CC1 ZINC000272879669 210270488 /nfs/dbraw/zinc/27/04/88/210270488.db2.gz CDEVAHJFFCNORT-OAHLLOKOSA-N 0 3 316.449 2.487 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCc2ccc(C)o2)CC1 ZINC000490698583 533148479 /nfs/dbraw/zinc/14/84/79/533148479.db2.gz NKJWRCIHOGNBBH-CQSZACIVSA-N 0 3 302.418 2.371 20 30 DEEDHN COCCCOC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156507131 197119045 /nfs/dbraw/zinc/11/90/45/197119045.db2.gz ZPTATAXTQGYVHA-GOSISDBHSA-N 0 3 318.417 2.109 20 30 DEEDHN N#CC(C(=O)NCC(F)(F)F)c1nccn1Cc1ccccc1 ZINC000155464009 197057621 /nfs/dbraw/zinc/05/76/21/197057621.db2.gz ZMZOPPRCHFNNJU-LBPRGKRZSA-N 0 3 322.290 2.217 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C)CCC2)cc1 ZINC000278620918 533166557 /nfs/dbraw/zinc/16/65/57/533166557.db2.gz NGPITOBYSUDALZ-NSHDSACASA-N 0 3 321.402 2.436 20 30 DEEDHN COCCO[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000188817146 533200611 /nfs/dbraw/zinc/20/06/11/533200611.db2.gz QVGLXJSMXACUEW-SFHVURJKSA-N 0 3 317.433 2.274 20 30 DEEDHN N#Cc1ncn(CCNCc2cnc(C3CCCCC3)s2)n1 ZINC000560501362 291938544 /nfs/dbraw/zinc/93/85/44/291938544.db2.gz NYVYRYMOJLGHBW-UHFFFAOYSA-N 0 3 316.434 2.444 20 30 DEEDHN OC[C@]1([C@@H](NCC#Cc2ccc(F)cc2)C2CC2)CCCO1 ZINC000339759678 285298144 /nfs/dbraw/zinc/29/81/44/285298144.db2.gz SPQQEDRXRIGPRX-ROUUACIJSA-N 0 3 303.377 2.087 20 30 DEEDHN C[C@H]1CCC[C@H](C)C1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289764131 221208971 /nfs/dbraw/zinc/20/89/71/221208971.db2.gz IGLPSEMQLDCPIR-STQMWFEESA-N 0 3 321.446 2.141 20 30 DEEDHN COC[C@@]1(C(=O)OC)CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000296177845 285319317 /nfs/dbraw/zinc/31/93/17/285319317.db2.gz IECPVRDRWGVIBH-SUMWQHHRSA-N 0 3 302.374 2.131 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H](CO)C2CCCCC2)c1 ZINC000543839181 285321423 /nfs/dbraw/zinc/32/14/23/285321423.db2.gz QDOMVPZJOKOCOF-INIZCTEOSA-N 0 3 301.390 2.028 20 30 DEEDHN C[C@H](CC#N)N(C)CCCN1CCN(c2ccccc2)CC1 ZINC000286423906 533603049 /nfs/dbraw/zinc/60/30/49/533603049.db2.gz MNDOKYWWRWNUPE-QGZVFWFLSA-N 0 3 300.450 2.433 20 30 DEEDHN Cn1cc(C(C)(C)NCCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000546001480 285472197 /nfs/dbraw/zinc/47/21/97/285472197.db2.gz XYLJVMZFAIYHQE-UHFFFAOYSA-N 0 3 311.389 2.145 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cc1c(F)cccc1C#N ZINC000356268660 133075368 /nfs/dbraw/zinc/07/53/68/133075368.db2.gz DUCBOZMUJZNCLA-ZFWWWQNUSA-N 0 3 315.392 2.325 20 30 DEEDHN CC(=O)N[C@H](C)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000360311813 133175223 /nfs/dbraw/zinc/17/52/23/133175223.db2.gz XADVOOJYYDRQQI-CQSZACIVSA-N 0 3 315.417 2.174 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000360392394 133179135 /nfs/dbraw/zinc/17/91/35/133179135.db2.gz IUGYZFJQQYMJNT-APHBMKBZSA-N 0 3 317.458 2.166 20 30 DEEDHN Cc1c([C@H]2OCC[C@H]2NCc2ccc(C#N)c(F)c2)cnn1C ZINC000361849875 133195860 /nfs/dbraw/zinc/19/58/60/133195860.db2.gz OFFYESRCAQKVIV-IAGOWNOFSA-N 0 3 314.364 2.359 20 30 DEEDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000362713991 133247539 /nfs/dbraw/zinc/24/75/39/133247539.db2.gz GEDZQJQPBFHBQS-AFAVFJNCSA-N 0 3 322.380 2.168 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)n1cncn1 ZINC001099023858 781997919 /nfs/dbraw/zinc/99/79/19/781997919.db2.gz VIDSMMVVACJTQN-LSDHHAIUSA-N 0 3 319.453 2.022 20 30 DEEDHN Cc1noc2ncc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)cc12 ZINC000329858285 404475007 /nfs/dbraw/zinc/47/50/07/404475007.db2.gz ZYVBAPNOSMJBBX-LKFCYVNXSA-N 0 3 300.362 2.319 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)Cc1c(F)cccc1C#N ZINC000352588689 404477497 /nfs/dbraw/zinc/47/74/97/404477497.db2.gz CYGLXQZECMOSIW-UHFFFAOYSA-N 0 3 303.381 2.040 20 30 DEEDHN Cn1cc(CN2CCC(c3nnc4ccccn43)CC2)cc1C#N ZINC000191191071 145054035 /nfs/dbraw/zinc/05/40/35/145054035.db2.gz HDYRNLAIIADSTP-UHFFFAOYSA-N 0 3 320.400 2.319 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000248972361 145174518 /nfs/dbraw/zinc/17/45/18/145174518.db2.gz CXCKXCFCPVNBBK-RHSMWYFYSA-N 0 3 316.401 2.458 20 30 DEEDHN Cc1cc(S(=O)(=O)NCCN(C(C)C)C(C)C)ccc1C#N ZINC000318666509 145368977 /nfs/dbraw/zinc/36/89/77/145368977.db2.gz KUAOYUKSFAMWJF-UHFFFAOYSA-N 0 3 323.462 2.264 20 30 DEEDHN Cc1nccn1CCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000374565141 148262437 /nfs/dbraw/zinc/26/24/37/148262437.db2.gz FGQSEYCXSNZRNA-UHFFFAOYSA-N 0 3 324.432 2.061 20 30 DEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]CCOC1CCCCC1 ZINC000329900779 404487788 /nfs/dbraw/zinc/48/77/88/404487788.db2.gz ODHZADSOGOVFBC-AWEZNQCLSA-N 0 3 320.437 2.298 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CCC[C@H](N3CCCC3)C2)s1 ZINC000126913075 401713130 /nfs/dbraw/zinc/71/31/30/401713130.db2.gz QEMQGXZSALFBJI-ZDUSSCGKSA-N 0 3 320.462 2.441 20 30 DEEDHN CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000112537316 401748222 /nfs/dbraw/zinc/74/82/22/401748222.db2.gz ZJSHTJYIXMKHOK-KGLIPLIRSA-N 0 3 303.406 2.496 20 30 DEEDHN COCCN(CCN1CCCCC1)Cc1ccc(C#N)cc1 ZINC000077173272 401805064 /nfs/dbraw/zinc/80/50/64/401805064.db2.gz VFFYQGZZRBZHBQ-UHFFFAOYSA-N 0 3 301.434 2.493 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1C ZINC000115603237 401833709 /nfs/dbraw/zinc/83/37/09/401833709.db2.gz DGSNHURSXDNUNI-KGLIPLIRSA-N 0 3 303.406 2.354 20 30 DEEDHN COc1ccc(CN(CCC(=O)N(C)CCC#N)C2CC2)cc1 ZINC000130923651 401840892 /nfs/dbraw/zinc/84/08/92/401840892.db2.gz DJVCOYRBGKSEMM-UHFFFAOYSA-N 0 3 315.417 2.422 20 30 DEEDHN C=CC[C@@H](C)NC(=O)NCc1ccccc1OCCN(C)C ZINC000116951514 401865149 /nfs/dbraw/zinc/86/51/49/401865149.db2.gz BUBYASPZGJTAQX-CQSZACIVSA-N 0 3 305.422 2.391 20 30 DEEDHN COCCOC[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135106597 401927516 /nfs/dbraw/zinc/92/75/16/401927516.db2.gz BXXSHSMKRBPPOW-HNNXBMFYSA-N 0 3 304.390 2.052 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729421 401959219 /nfs/dbraw/zinc/95/92/19/401959219.db2.gz ZCWVJOJFKVICNV-YOEHRIQHSA-N 0 3 300.402 2.359 20 30 DEEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(-n2cnnn2)cc1 ZINC000151397300 402033818 /nfs/dbraw/zinc/03/38/18/402033818.db2.gz FMUSTLDPRFKUBN-CYBMUJFWSA-N 0 3 304.357 2.385 20 30 DEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccccc1C#N ZINC000122600677 402086108 /nfs/dbraw/zinc/08/61/08/402086108.db2.gz WSJGKFWIDYZCGE-HNNXBMFYSA-N 0 3 321.446 2.053 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCc2cccc(OC)c2)CC1 ZINC000066433973 402133682 /nfs/dbraw/zinc/13/36/82/402133682.db2.gz LXARBXJAXONOAF-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC000330626793 533675506 /nfs/dbraw/zinc/67/55/06/533675506.db2.gz WCNHCUJDHPHPQK-CYBMUJFWSA-N 0 3 319.453 2.358 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CC1 ZINC000103963431 402195372 /nfs/dbraw/zinc/19/53/72/402195372.db2.gz RYKMSPZDLCRICY-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CNc1cccc(C#N)c1 ZINC000154832903 402234836 /nfs/dbraw/zinc/23/48/36/402234836.db2.gz LNASXZZDXCMNMH-HUUCEWRRSA-N 0 3 314.433 2.207 20 30 DEEDHN C=C(C)COc1cc(CN2CCC[C@@H](C(N)=O)C2)ccc1OC ZINC000155035947 402242493 /nfs/dbraw/zinc/24/24/93/402242493.db2.gz UNYJWZHKEUMUHE-OAHLLOKOSA-N 0 3 318.417 2.347 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000154305229 402204877 /nfs/dbraw/zinc/20/48/77/402204877.db2.gz GMHZADIVKOPLKC-QGZVFWFLSA-N 0 3 314.429 2.149 20 30 DEEDHN CN(CC1CCOCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000156162624 402276758 /nfs/dbraw/zinc/27/67/58/402276758.db2.gz PXLGSSPVWHJXMH-QGZVFWFLSA-N 0 3 313.401 2.022 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000176879210 402345420 /nfs/dbraw/zinc/34/54/20/402345420.db2.gz CMBBRVDOLMHSJQ-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)CNC[C@@H]1CCCO1 ZINC000236656954 402371742 /nfs/dbraw/zinc/37/17/42/402371742.db2.gz ZHOGMKWSJJSAHK-KRWDZBQOSA-N 0 3 302.418 2.012 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc(C#N)c[nH]2)c1 ZINC000177820450 402439223 /nfs/dbraw/zinc/43/92/23/402439223.db2.gz KWEKPBBCQBRKGR-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCCS2)cc1 ZINC000163110571 402441641 /nfs/dbraw/zinc/44/16/41/402441641.db2.gz ZEQXZKXJKCYWDI-CQSZACIVSA-N 0 3 324.471 2.207 20 30 DEEDHN N#Cc1cc(F)ccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000177914333 402443412 /nfs/dbraw/zinc/44/34/12/402443412.db2.gz ZWQMAZZOBRUJBE-AWEZNQCLSA-N 0 3 300.337 2.175 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000177915513 402443890 /nfs/dbraw/zinc/44/38/90/402443890.db2.gz SQUJTUOICZLTSU-INIZCTEOSA-N 0 3 321.465 2.428 20 30 DEEDHN COCCN1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178578273 402513901 /nfs/dbraw/zinc/51/39/01/402513901.db2.gz HEFHKAMCJOFHKW-UHFFFAOYSA-N 0 3 316.405 2.099 20 30 DEEDHN CC[C@H](C#N)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171005063 402549182 /nfs/dbraw/zinc/54/91/82/402549182.db2.gz BKVUZQPSPQWIOV-MRXNPFEDSA-N 0 3 314.433 2.249 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](COCc2ccccc2)C1 ZINC000247350359 402564773 /nfs/dbraw/zinc/56/47/73/402564773.db2.gz GQXMLAHOGZSLRX-NVXWUHKLSA-N 0 3 302.418 2.216 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCCOc2ccccc2C#N)C1(C)C ZINC000189991127 402569085 /nfs/dbraw/zinc/56/90/85/402569085.db2.gz NORDVICLDVJLRR-WMZOPIPTSA-N 0 3 318.417 2.093 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCO[C@@H](C)C1 ZINC000171239331 402569785 /nfs/dbraw/zinc/56/97/85/402569785.db2.gz BXGRWJNIOXMOTI-RDJZCZTQSA-N 0 3 305.418 2.266 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000178667063 402523957 /nfs/dbraw/zinc/52/39/57/402523957.db2.gz XFGHODCLSPPTEI-FUHWJXTLSA-N 0 3 323.481 2.267 20 30 DEEDHN CNC(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000179822857 402601703 /nfs/dbraw/zinc/60/17/03/402601703.db2.gz JPXYGQQVKJOCBQ-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171724917 402614934 /nfs/dbraw/zinc/61/49/34/402614934.db2.gz MZYRFRMFYFUZJV-VMPITWQZSA-N 0 3 315.373 2.375 20 30 DEEDHN Cc1csc(NC(=O)C(C#N)c2nnc3n2CCCCC3)n1 ZINC000180507756 402618541 /nfs/dbraw/zinc/61/85/41/402618541.db2.gz JCPLAYTYSMQWSG-SNVBAGLBSA-N 0 3 316.390 2.015 20 30 DEEDHN C=C(C)CN(C)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000181316856 402641003 /nfs/dbraw/zinc/64/10/03/402641003.db2.gz ZUCOELMSZGDTFM-WMZOPIPTSA-N 0 3 315.461 2.274 20 30 DEEDHN C[C@@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181875911 402659424 /nfs/dbraw/zinc/65/94/24/402659424.db2.gz QQOIQMCGXMTJKW-ZQIUZPCESA-N 0 3 304.390 2.434 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000191669836 402685491 /nfs/dbraw/zinc/68/54/91/402685491.db2.gz XYYFMTVYQXZJKD-SFHVURJKSA-N 0 3 315.417 2.370 20 30 DEEDHN C=CCSCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000194563626 402803338 /nfs/dbraw/zinc/80/33/38/402803338.db2.gz ZFAZOPJFURRCHT-UHFFFAOYSA-N 0 3 307.463 2.467 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c[nH]1 ZINC000194752080 402814388 /nfs/dbraw/zinc/81/43/88/402814388.db2.gz ACEGHVNZEAHDCB-HNNXBMFYSA-N 0 3 308.385 2.138 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(c3ccccc3C)CC2)CC1 ZINC000263985833 402827044 /nfs/dbraw/zinc/82/70/44/402827044.db2.gz LWRPKWWWFFWGPW-UHFFFAOYSA-N 0 3 310.441 2.488 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc([S@@](C)=O)cc2)CC1 ZINC000175758529 402830008 /nfs/dbraw/zinc/83/00/08/402830008.db2.gz NROCDMBRKBOMEW-JOCHJYFZSA-N 0 3 321.446 2.196 20 30 DEEDHN COc1ccc(CN[C@H](C)C[S@](C)=O)cc1OCCCC#N ZINC000184266860 402831372 /nfs/dbraw/zinc/83/13/72/402831372.db2.gz NOECLQYSBITSIZ-DMZKTXOQSA-N 0 3 324.446 2.234 20 30 DEEDHN COCCOc1ccc(C#N)cc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000184487209 402846637 /nfs/dbraw/zinc/84/66/37/402846637.db2.gz TYIJAQVBESVLDG-HIFRSBDPSA-N 0 3 303.406 2.478 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000278763775 402870452 /nfs/dbraw/zinc/87/04/52/402870452.db2.gz YCRWAUZCVLMSLT-NSHDSACASA-N 0 3 307.375 2.000 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2csc(CC)n2)CC1 ZINC000264376835 402872390 /nfs/dbraw/zinc/87/23/90/402872390.db2.gz SLTICSQGLFTNKS-UHFFFAOYSA-N 0 3 322.478 2.198 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000278854181 402878385 /nfs/dbraw/zinc/87/83/85/402878385.db2.gz LQQGGJUMSHEHDI-YOEHRIQHSA-N 0 3 322.474 2.403 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000264449538 402879797 /nfs/dbraw/zinc/87/97/97/402879797.db2.gz CKXJKSGRHHGKQA-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](c2ccccc2)n2cccn2)CC1 ZINC000264490492 402883605 /nfs/dbraw/zinc/88/36/05/402883605.db2.gz OBHHQZWYIYINFN-SFHVURJKSA-N 0 3 324.428 2.239 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000264501600 402884425 /nfs/dbraw/zinc/88/44/25/402884425.db2.gz QLSWYADERYYFJC-UHFFFAOYSA-N 0 3 324.428 2.312 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000278920222 402886164 /nfs/dbraw/zinc/88/61/64/402886164.db2.gz RSWBMQGUSSBUPH-QFBILLFUSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(Cn3ccnc3)c2)CC1 ZINC000264529574 402886629 /nfs/dbraw/zinc/88/66/29/402886629.db2.gz ZNKQCXHBZATEKJ-UHFFFAOYSA-N 0 3 324.428 2.312 20 30 DEEDHN C#CCOc1cccc(NC(=O)NC2CCN(CC=C)CC2)c1 ZINC000264526657 402886869 /nfs/dbraw/zinc/88/68/69/402886869.db2.gz JLGGOJUNDWLYQF-UHFFFAOYSA-N 0 3 313.401 2.471 20 30 DEEDHN C=CCNC(=O)c1ccc(N2CCN(C3CCCC3)CC2)nc1 ZINC000264867266 402892934 /nfs/dbraw/zinc/89/29/34/402892934.db2.gz NXGYVMFCEOGLPR-UHFFFAOYSA-N 0 3 314.433 2.062 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C1(C)C ZINC000329915637 404493448 /nfs/dbraw/zinc/49/34/48/404493448.db2.gz PULQNMSSBSQENM-PAPYEOQZSA-N 0 3 320.437 2.009 20 30 DEEDHN CC[C@H](NCCC(C)(C)C#N)c1cccc(S(N)(=O)=O)c1 ZINC000272792225 402960352 /nfs/dbraw/zinc/96/03/52/402960352.db2.gz CGDNVUQLIFWVGJ-AWEZNQCLSA-N 0 3 309.435 2.315 20 30 DEEDHN CCOC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000279846313 402963840 /nfs/dbraw/zinc/96/38/40/402963840.db2.gz AOMMHOLBTVNVBT-SJORKVTESA-N 0 3 313.401 2.418 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000265941312 402963898 /nfs/dbraw/zinc/96/38/98/402963898.db2.gz HVZFLWFEEMOVLP-KEYYUXOJSA-N 0 3 315.417 2.124 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000280134706 402967907 /nfs/dbraw/zinc/96/79/07/402967907.db2.gz VLPJIIGLMNCSGM-KURKYZTESA-N 0 3 323.396 2.314 20 30 DEEDHN C=CCCS(=O)(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272400662 402932445 /nfs/dbraw/zinc/93/24/45/402932445.db2.gz KELCDYKEWXTLKF-WBVHZDCISA-N 0 3 322.474 2.393 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000279370931 402935618 /nfs/dbraw/zinc/93/56/18/402935618.db2.gz GWZPUURYQJWDQA-QGZVFWFLSA-N 0 3 306.406 2.030 20 30 DEEDHN Cc1ccnc(NCc2ccccc2CN2CC[C@@H](O)C2)c1C#N ZINC000273295095 402991586 /nfs/dbraw/zinc/99/15/86/402991586.db2.gz GFCIROAZJBRCSU-QGZVFWFLSA-N 0 3 322.412 2.440 20 30 DEEDHN CN(C)[C@]1(CNc2nc3c(cc2C#N)CCC3)CCSC1 ZINC000267124261 403017412 /nfs/dbraw/zinc/01/74/12/403017412.db2.gz URRIDYZZHRDURF-INIZCTEOSA-N 0 3 302.447 2.291 20 30 DEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280650402 403022940 /nfs/dbraw/zinc/02/29/40/403022940.db2.gz ZCLZVZYLWARIDR-ZWKOTPCHSA-N 0 3 323.396 2.140 20 30 DEEDHN CN(CCOc1ccccc1C#N)[C@@H](CC(N)=O)c1ccccc1 ZINC000280260779 402981155 /nfs/dbraw/zinc/98/11/55/402981155.db2.gz CEDFDQDABWUGRZ-KRWDZBQOSA-N 0 3 323.396 2.486 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H](C)CCO)C(C)C ZINC000266715377 402985696 /nfs/dbraw/zinc/98/56/96/402985696.db2.gz ZXKXOJWIOLEWOH-HZPDHXFCSA-N 0 3 311.470 2.003 20 30 DEEDHN COC(=O)CCCN1CCC(Nc2cccc(C#N)c2)CC1 ZINC000274217365 403036236 /nfs/dbraw/zinc/03/62/36/403036236.db2.gz OZVYBTXSIRVVOT-UHFFFAOYSA-N 0 3 301.390 2.388 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H](C)c2cccc(-n3cccn3)c2)C1=O ZINC000280953682 403053538 /nfs/dbraw/zinc/05/35/38/403053538.db2.gz GMRRUXGWHOBVIC-YOEHRIQHSA-N 0 3 310.401 2.310 20 30 DEEDHN COCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281039831 403057426 /nfs/dbraw/zinc/05/74/26/403057426.db2.gz XAGDCIQYMGWAPM-QGZVFWFLSA-N 0 3 311.385 2.126 20 30 DEEDHN CCN(CCC#N)C(=O)CNC(C)(C)COCc1ccccc1 ZINC000281488051 403069872 /nfs/dbraw/zinc/06/98/72/403069872.db2.gz SWCSYQFXMJWSQZ-UHFFFAOYSA-N 0 3 317.433 2.334 20 30 DEEDHN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000281493878 403069910 /nfs/dbraw/zinc/06/99/10/403069910.db2.gz QDXIOPZZAIZTFY-HNNXBMFYSA-N 0 3 317.433 2.466 20 30 DEEDHN C=CCC[C@H](NC(=O)NCCN(CC)CCO)c1ccccc1 ZINC000274656625 403075636 /nfs/dbraw/zinc/07/56/36/403075636.db2.gz MPAUDWYHXLCCNT-KRWDZBQOSA-N 0 3 319.449 2.307 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000281712052 403084253 /nfs/dbraw/zinc/08/42/53/403084253.db2.gz DFHFSDDNNIRLNN-SMTKDUBBSA-N 0 3 323.396 2.234 20 30 DEEDHN Cc1noc([C@@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000268637906 403101862 /nfs/dbraw/zinc/10/18/62/403101862.db2.gz CVGOZXMELASDEM-CVEARBPZSA-N 0 3 312.373 2.163 20 30 DEEDHN COc1cc(CN(C)C[C@H](O)c2ccc(C#N)cc2)ccc1O ZINC000268697400 403107055 /nfs/dbraw/zinc/10/70/55/403107055.db2.gz QLBOOLYMGDCRGN-KRWDZBQOSA-N 0 3 312.369 2.438 20 30 DEEDHN COc1cc(CN[C@H](CO)Cc2ccc(F)cc2)ccc1C#N ZINC000281855713 403098643 /nfs/dbraw/zinc/09/86/43/403098643.db2.gz ZNQMHNKXSPYGSC-KRWDZBQOSA-N 0 3 314.360 2.399 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1C[C@@H](C)O ZINC000269811021 403167584 /nfs/dbraw/zinc/16/75/84/403167584.db2.gz OVJCXGVBNLCETG-HIFRSBDPSA-N 0 3 304.390 2.181 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C[C@@H](C)O ZINC000269811024 403167869 /nfs/dbraw/zinc/16/78/69/403167869.db2.gz OVJCXGVBNLCETG-UKRRQHHQSA-N 0 3 304.390 2.181 20 30 DEEDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(C#N)c2)CCCO1 ZINC000277620402 403237629 /nfs/dbraw/zinc/23/76/29/403237629.db2.gz MIAXBAUASXFNPT-CYBMUJFWSA-N 0 3 318.377 2.379 20 30 DEEDHN C=C(C)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277395567 403213321 /nfs/dbraw/zinc/21/33/21/403213321.db2.gz FBCGIEMEFZPOBS-QGZVFWFLSA-N 0 3 317.433 2.153 20 30 DEEDHN Cc1ccc(-c2ncc(CNCCn3cnc(C#N)n3)s2)cc1 ZINC000285406745 403288467 /nfs/dbraw/zinc/28/84/67/403288467.db2.gz FPMRYWHGNTVHAW-UHFFFAOYSA-N 0 3 324.413 2.372 20 30 DEEDHN CN(CCCC#N)CCN1CCN(Cc2ccccc2)CC1 ZINC000285489265 403308976 /nfs/dbraw/zinc/30/89/76/403308976.db2.gz PDWOADXQVOFQRT-UHFFFAOYSA-N 0 3 300.450 2.040 20 30 DEEDHN CCN1CCN(Cc2ccc(NC(=O)CCCC#N)cc2)CC1 ZINC000292555651 403369675 /nfs/dbraw/zinc/36/96/75/403369675.db2.gz JIWXUHJOZAALNO-UHFFFAOYSA-N 0 3 314.433 2.456 20 30 DEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)S(C)(=O)=O ZINC000298479776 403391377 /nfs/dbraw/zinc/39/13/77/403391377.db2.gz FVLLKXSMAMOOPO-SECBINFHSA-N 0 3 321.851 2.349 20 30 DEEDHN Cc1nc(C(=O)NCc2ccc(CN(C)C)cc2)ccc1C#N ZINC000342923221 403398313 /nfs/dbraw/zinc/39/83/13/403398313.db2.gz FMCIDPABCFUZPV-UHFFFAOYSA-N 0 3 308.385 2.253 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000331273533 403367176 /nfs/dbraw/zinc/36/71/76/403367176.db2.gz CTRPYZHPDCNTRZ-OFQRWUPVSA-N 0 3 318.417 2.427 20 30 DEEDHN CN(C)C1(CNS(=O)(=O)c2ccccc2C#N)CCCCC1 ZINC000298684080 403438969 /nfs/dbraw/zinc/43/89/69/403438969.db2.gz YHSUYJVJTBSNCM-UHFFFAOYSA-N 0 3 321.446 2.101 20 30 DEEDHN CCC[C@@H](NC(=O)C(C)C#N)C(=O)N1CCc2sccc2C1 ZINC000345775719 403479440 /nfs/dbraw/zinc/47/94/40/403479440.db2.gz IXLBXKZQXULLRV-WCQYABFASA-N 0 3 319.430 2.077 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)[C@@H]1CCC[C@H]1O ZINC000286639489 403536440 /nfs/dbraw/zinc/53/64/40/403536440.db2.gz SXWXXVLLWFFQMZ-FVQBIDKESA-N 0 3 322.474 2.496 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)[C@@H]1CCC[C@H]1O ZINC000286639493 403536793 /nfs/dbraw/zinc/53/67/93/403536793.db2.gz SXWXXVLLWFFQMZ-NUEKZKHPSA-N 0 3 322.474 2.496 20 30 DEEDHN C#CCOc1ccc([C@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000287195121 403556294 /nfs/dbraw/zinc/55/62/94/403556294.db2.gz WBNUAKMIFICVEM-LSDHHAIUSA-N 0 3 321.442 2.174 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N(C)C ZINC000343242365 403507893 /nfs/dbraw/zinc/50/78/93/403507893.db2.gz YMUIEVUQBKOHFU-BBRMVZONSA-N 0 3 303.406 2.028 20 30 DEEDHN N#CC1(CCCN(CCCO)Cc2ccccn2)CCOCC1 ZINC000287113176 403554092 /nfs/dbraw/zinc/55/40/92/403554092.db2.gz WVFQDBMRPZRPAZ-UHFFFAOYSA-N 0 3 317.433 2.367 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC)C(C)(C)C)CC1 ZINC000343243972 403508608 /nfs/dbraw/zinc/50/86/08/403508608.db2.gz BLECMEQEQRDRKU-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)(C)N1C[C@H](C(F)(F)F)[C@H](C(=O)NCCCC#N)C1 ZINC000346346697 403585244 /nfs/dbraw/zinc/58/52/44/403585244.db2.gz ASFYRMRHLOOVGM-MNOVXSKESA-N 0 3 305.344 2.315 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@H]1CCc2ccccc21 ZINC000346581864 403594257 /nfs/dbraw/zinc/59/42/57/403594257.db2.gz BZIZJBTUYRPFKM-INIZCTEOSA-N 0 3 315.417 2.398 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000346746965 403600817 /nfs/dbraw/zinc/60/08/17/403600817.db2.gz BLBANLXABAPYPC-HOCLYGCPSA-N 0 3 309.454 2.284 20 30 DEEDHN N#CC1(F)CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000345999839 403564233 /nfs/dbraw/zinc/56/42/33/403564233.db2.gz OKBCSLHGQFHMCP-CQSZACIVSA-N 0 3 308.401 2.041 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000293986035 403617113 /nfs/dbraw/zinc/61/71/13/403617113.db2.gz NJRRZDFPAOMLPP-AWEZNQCLSA-N 0 3 320.458 2.247 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000347134563 403617417 /nfs/dbraw/zinc/61/74/17/403617417.db2.gz MCEUDDAKXUIGMS-CMPLNLGQSA-N 0 3 322.206 2.304 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000294013363 403624421 /nfs/dbraw/zinc/62/44/21/403624421.db2.gz PWJFYCMSMGDXCY-INIZCTEOSA-N 0 3 311.429 2.349 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1oc(-c2ccccc2)nc1C ZINC000294073197 403640844 /nfs/dbraw/zinc/64/08/44/403640844.db2.gz WAHVWMCVZNQKJP-UHFFFAOYSA-N 0 3 311.385 2.335 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000294489144 403721829 /nfs/dbraw/zinc/72/18/29/403721829.db2.gz PNIWJCZILGVZGG-DOTOQJQBSA-N 0 3 302.418 2.224 20 30 DEEDHN C[C@@H](O)[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000303994837 403760534 /nfs/dbraw/zinc/76/05/34/403760534.db2.gz OSUGDSGQPTXQSA-DGCLKSJQSA-N 0 3 307.419 2.184 20 30 DEEDHN N#CC(C(=O)c1cncn1-c1ccc(F)cc1)c1ccncn1 ZINC000354468080 403818059 /nfs/dbraw/zinc/81/80/59/403818059.db2.gz PATUMAIREQNIQB-ZDUSSCGKSA-N 0 3 307.288 2.291 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000361716363 403820873 /nfs/dbraw/zinc/82/08/73/403820873.db2.gz HPXUOSRAOOSIMI-CZUORRHYSA-N 0 3 318.417 2.473 20 30 DEEDHN N#CC(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccncn1 ZINC000354473736 403824309 /nfs/dbraw/zinc/82/43/09/403824309.db2.gz WDQMFSKOXSVJBK-CQSZACIVSA-N 0 3 306.325 2.315 20 30 DEEDHN N#Cc1csc(CNC[C@H](O)COc2ccc(F)cc2)c1 ZINC000304679674 403799240 /nfs/dbraw/zinc/79/92/40/403799240.db2.gz YVTJGEUACNJJPY-ZDUSSCGKSA-N 0 3 306.362 2.288 20 30 DEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000354601880 403896628 /nfs/dbraw/zinc/89/66/28/403896628.db2.gz WGJNNDGXLXJYOX-DZGCQCFKSA-N 0 3 321.446 2.052 20 30 DEEDHN COC(=O)[C@@H](O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411402893 403845662 /nfs/dbraw/zinc/84/56/62/403845662.db2.gz VJEMXNLCLCXYNH-HNNXBMFYSA-N 0 3 308.422 2.096 20 30 DEEDHN Cc1sc(NC(=O)CNC2(CO)CCCC2)c(C#N)c1C ZINC000305248513 403893607 /nfs/dbraw/zinc/89/36/07/403893607.db2.gz UIQCFZCXRHYCNE-UHFFFAOYSA-N 0 3 307.419 2.070 20 30 DEEDHN COC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000295382114 403893887 /nfs/dbraw/zinc/89/38/87/403893887.db2.gz PPFAGLDLJNATBS-INIZCTEOSA-N 0 3 311.385 2.316 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](CO)C[C@H]1C ZINC000344118601 403920906 /nfs/dbraw/zinc/92/09/06/403920906.db2.gz CHJNDEDGESGHGH-JFIYKMOQSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCOc3ccccc32)C1=O ZINC000369066887 403954531 /nfs/dbraw/zinc/95/45/31/403954531.db2.gz SZDSPBQHLMOMFY-ZBFHGGJFSA-N 0 3 300.402 2.271 20 30 DEEDHN CCC(CC)CN(CCC#N)CC(=O)NC1CCN(CC)CC1 ZINC000362482216 403957879 /nfs/dbraw/zinc/95/78/79/403957879.db2.gz ZRRBZHAUSLTLRF-UHFFFAOYSA-N 0 3 322.497 2.239 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCCN1C ZINC000344230661 403992239 /nfs/dbraw/zinc/99/22/39/403992239.db2.gz DHMQISFGOCFRJS-CZUORRHYSA-N 0 3 300.406 2.182 20 30 DEEDHN CN1CC[C@@]2(CCN(c3ncc(Br)cc3C#N)C2)C1 ZINC000295697475 404007250 /nfs/dbraw/zinc/00/72/50/404007250.db2.gz PJUYBFKXWRCPLF-CQSZACIVSA-N 0 3 321.222 2.248 20 30 DEEDHN CCOCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000289988356 404013589 /nfs/dbraw/zinc/01/35/89/404013589.db2.gz DEQUFSDKWXFXKI-MRXNPFEDSA-N 0 3 313.401 2.419 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc2ccccc2o1 ZINC000362939172 404014265 /nfs/dbraw/zinc/01/42/65/404014265.db2.gz XANWGHSYFFBCCI-NSHDSACASA-N 0 3 307.371 2.038 20 30 DEEDHN C=C[C@@H](CO)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000290010621 404014529 /nfs/dbraw/zinc/01/45/29/404014529.db2.gz YVGFELMTRHAQIJ-INIZCTEOSA-N 0 3 314.385 2.306 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CC(=O)OC)CC1 ZINC000348041518 404019387 /nfs/dbraw/zinc/01/93/87/404019387.db2.gz DKQDEAWGXBEKLC-CQSZACIVSA-N 0 3 310.438 2.075 20 30 DEEDHN CC(C#N)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000348067592 404029412 /nfs/dbraw/zinc/02/94/12/404029412.db2.gz DCDASOBNUUAFSA-CJBNDPTMSA-N 0 3 314.389 2.062 20 30 DEEDHN N#Cc1cccn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1=O ZINC000289468183 403976243 /nfs/dbraw/zinc/97/62/43/403976243.db2.gz WRUIUAORTICWFW-SFHVURJKSA-N 0 3 323.396 2.011 20 30 DEEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000412060735 404097599 /nfs/dbraw/zinc/09/75/99/404097599.db2.gz GUJFZVWWABHNCZ-KRWDZBQOSA-N 0 3 302.374 2.342 20 30 DEEDHN CO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000348338555 404060428 /nfs/dbraw/zinc/06/04/28/404060428.db2.gz HWBRQOLDBBOQJI-BZUAXINKSA-N 0 3 311.385 2.170 20 30 DEEDHN COc1ccncc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000348408615 404066602 /nfs/dbraw/zinc/06/66/02/404066602.db2.gz OSQSLJJXANHWKL-OAHLLOKOSA-N 0 3 309.369 2.479 20 30 DEEDHN C#CCN(C)CCCNc1ncnc2c1cnn2-c1ccccc1 ZINC000328292474 404106889 /nfs/dbraw/zinc/10/68/89/404106889.db2.gz RVPYTLQNYQWDOE-UHFFFAOYSA-N 0 3 320.400 2.183 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000354921266 404103276 /nfs/dbraw/zinc/10/32/76/404103276.db2.gz YTRCFMLLKWXHLE-MJGOQNOKSA-N 0 3 316.445 2.437 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CC(C3CCC3)C2)cc1 ZINC000348978212 404114700 /nfs/dbraw/zinc/11/47/00/404114700.db2.gz WISHHAXIARBUQY-QGZVFWFLSA-N 0 3 300.402 2.224 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000328623014 404117709 /nfs/dbraw/zinc/11/77/09/404117709.db2.gz YNVMQGXDMHRJCZ-WOICTCIZSA-N 0 3 304.438 2.303 20 30 DEEDHN COC(=O)[C@]1(C)CCCN(CCOc2ccccc2C#N)C1 ZINC000412091802 404127424 /nfs/dbraw/zinc/12/74/24/404127424.db2.gz CJCJDPSPGSLTGZ-QGZVFWFLSA-N 0 3 302.374 2.212 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000344447854 404143902 /nfs/dbraw/zinc/14/39/02/404143902.db2.gz VCHYAMTUQIJCMX-HZPDHXFCSA-N 0 3 307.482 2.073 20 30 DEEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]CC1(C)CCOCC1 ZINC000329052372 404213105 /nfs/dbraw/zinc/21/31/05/404213105.db2.gz RRWCANNTJRPPOY-HNNXBMFYSA-N 0 3 320.437 2.387 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)C[C@@H](C)O ZINC000352211077 404217904 /nfs/dbraw/zinc/21/79/04/404217904.db2.gz IVZKRKURRZBIES-ZIAGYGMSSA-N 0 3 310.463 2.354 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H](O)[C@H]2CCOC2)ccc1OC ZINC000344479499 404169160 /nfs/dbraw/zinc/16/91/60/404169160.db2.gz KZBQKPPSRCBPJT-HOTGVXAUSA-N 0 3 321.417 2.137 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cnc(OCC3CC3)cn2)CCN1C ZINC000328925531 404174931 /nfs/dbraw/zinc/17/49/31/404174931.db2.gz VYVRGAFNZZQKCV-DGCLKSJQSA-N 0 3 304.394 2.053 20 30 DEEDHN CCOC(=O)c1cnn(C[C@@H]2CCCCN2C(C)C)c1C#N ZINC000352159972 404184447 /nfs/dbraw/zinc/18/44/47/404184447.db2.gz FCZHWEOTMNUURC-ZDUSSCGKSA-N 0 3 304.394 2.194 20 30 DEEDHN C[C@@H]1OCC[C@@]12CN(CCCC1(C#N)CCOCC1)C[C@@H](C)O2 ZINC000369708032 404202348 /nfs/dbraw/zinc/20/23/48/404202348.db2.gz YRNHVASEFXYZHI-SOLBZPMBSA-N 0 3 322.449 2.355 20 30 DEEDHN Cn1cc(C(=O)NCCN2CC=C(C(C)(C)C)CC2)ccc1=O ZINC000329108788 404231803 /nfs/dbraw/zinc/23/18/03/404231803.db2.gz PSIOACLANQUETJ-UHFFFAOYSA-N 0 3 317.433 2.368 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412314654 404241730 /nfs/dbraw/zinc/24/17/30/404241730.db2.gz KKQDCTVHEYTCQP-IAGOWNOFSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000352323556 404289347 /nfs/dbraw/zinc/28/93/47/404289347.db2.gz CEDAKMNUOURBNJ-JYJNAYRXSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1c(Cl)cccc1OC ZINC000296839830 404336485 /nfs/dbraw/zinc/33/64/85/404336485.db2.gz LQZRQEAMDQBTLE-UHFFFAOYSA-N 0 3 323.824 2.103 20 30 DEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000329487800 404353692 /nfs/dbraw/zinc/35/36/92/404353692.db2.gz ROWJDCBXCPXBOY-SUMWQHHRSA-N 0 3 307.438 2.076 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C)C2 ZINC000329496140 404355580 /nfs/dbraw/zinc/35/55/80/404355580.db2.gz FWPKKGUENMBVJB-IVMMDQJWSA-N 0 3 304.438 2.439 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC=C(c2ccco2)C1 ZINC000296791200 404323254 /nfs/dbraw/zinc/32/32/54/404323254.db2.gz HPZXCOCCZJXQIK-UHFFFAOYSA-N 0 3 301.390 2.033 20 30 DEEDHN C=C(C)COc1cc(CN2CC[C@](C)(C(N)=O)C2)ccc1OC ZINC000355725805 404363525 /nfs/dbraw/zinc/36/35/25/404363525.db2.gz GXFDBENWWTVLHR-SFHVURJKSA-N 0 3 318.417 2.347 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355801092 404368195 /nfs/dbraw/zinc/36/81/95/404368195.db2.gz FBKVWWSNDFNVOB-PKOBYXMFSA-N 0 3 316.445 2.437 20 30 DEEDHN COCCC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000291183941 404376836 /nfs/dbraw/zinc/37/68/36/404376836.db2.gz JYVYCCINLRYPHK-INIZCTEOSA-N 0 3 311.385 2.126 20 30 DEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000344818235 404386064 /nfs/dbraw/zinc/38/60/64/404386064.db2.gz KZTCKGQSIDWMQF-OKILXGFUSA-N 0 3 310.417 2.287 20 30 DEEDHN Cc1nccn1C[C@H](C)CNC([O-])=[NH+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000329593031 404387798 /nfs/dbraw/zinc/38/77/98/404387798.db2.gz ZNBVGRCDBUVVPG-SRCQZFHVSA-N 0 3 320.437 2.289 20 30 DEEDHN Cc1nnc2n1C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)CC2 ZINC000329629309 404400789 /nfs/dbraw/zinc/40/07/89/404400789.db2.gz HMIZWTBRRGPTSZ-XFMPKHEZSA-N 0 3 319.453 2.367 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329639720 404403808 /nfs/dbraw/zinc/40/38/08/404403808.db2.gz ZJKNAUXESVWHTF-INWMFGNUSA-N 0 3 320.437 2.364 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329639720 404403814 /nfs/dbraw/zinc/40/38/14/404403814.db2.gz ZJKNAUXESVWHTF-INWMFGNUSA-N 0 3 320.437 2.364 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(C(C)C)C1)N1CCCCC1 ZINC000329692479 404424951 /nfs/dbraw/zinc/42/49/51/404424951.db2.gz WLYLEMITAPXZTI-GOEBONIOSA-N 0 3 309.454 2.463 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356413685 404508263 /nfs/dbraw/zinc/50/82/63/404508263.db2.gz FAIORZMXEMNILZ-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CN(C)C1(CNC(=O)C2(C#N)CCCC2)Cc2ccccc2C1 ZINC000356298265 404433085 /nfs/dbraw/zinc/43/30/85/404433085.db2.gz GPFQRQYGPWUHTK-UHFFFAOYSA-N 0 3 311.429 2.286 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)CCN1C ZINC000329729833 404434483 /nfs/dbraw/zinc/43/44/83/404434483.db2.gz PJMSEOKPPKZRPR-PWSUYJOCSA-N 0 3 303.362 2.454 20 30 DEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000413936718 404447631 /nfs/dbraw/zinc/44/76/31/404447631.db2.gz HGMPDOKLJRGPCN-SJCJKPOMSA-N 0 3 317.389 2.124 20 30 DEEDHN CCN1CCC(CCNC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000330008472 404523987 /nfs/dbraw/zinc/52/39/87/404523987.db2.gz GQOVBRIFVUIJSH-CQSZACIVSA-N 0 3 316.467 2.032 20 30 DEEDHN CCn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000330220313 404591156 /nfs/dbraw/zinc/59/11/56/404591156.db2.gz KTNYBYUINWVTSW-WCQYABFASA-N 0 3 316.409 2.080 20 30 DEEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cnn(C)c1C#N ZINC000356464053 404539718 /nfs/dbraw/zinc/53/97/18/404539718.db2.gz WTEKFJICICUOCW-UHFFFAOYSA-N 0 3 323.400 2.448 20 30 DEEDHN CC(C(=O)NC1(C)CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330160524 404571523 /nfs/dbraw/zinc/57/15/23/404571523.db2.gz RFZKZDYTGBHVEV-NSHDSACASA-N 0 3 303.424 2.258 20 30 DEEDHN CC(C)(C)[C@H](C#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000292068397 404653862 /nfs/dbraw/zinc/65/38/62/404653862.db2.gz ZXOCXLRBRTVVGO-MJBXVCDLSA-N 0 3 300.358 2.345 20 30 DEEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCN1C ZINC000330245990 404598811 /nfs/dbraw/zinc/59/88/11/404598811.db2.gz DYBBUPPNRVVEHS-CABCVRRESA-N 0 3 319.453 2.438 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(c2cccc(OCCN(C)C)c2)C1=O ZINC000414394763 404612486 /nfs/dbraw/zinc/61/24/86/404612486.db2.gz PQYUDIXWMANGCI-OAHLLOKOSA-N 0 3 317.389 2.018 20 30 DEEDHN C[C@](CO)(NC([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330309988 404623530 /nfs/dbraw/zinc/62/35/30/404623530.db2.gz UQDGQLKXEMVCBH-WMLDXEAASA-N 0 3 320.437 2.033 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](c3ccco3)C2)cc1 ZINC000374009162 404668336 /nfs/dbraw/zinc/66/83/36/404668336.db2.gz VYMDJSKOKCQAJG-HZPDHXFCSA-N 0 3 312.369 2.380 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000357096898 404728369 /nfs/dbraw/zinc/72/83/69/404728369.db2.gz YUZVMBOEUPYCOC-QLFBSQMISA-N 0 3 307.438 2.026 20 30 DEEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1OC ZINC000356876793 404713867 /nfs/dbraw/zinc/71/38/67/404713867.db2.gz CTLJMABZSZNOTG-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000356959066 404723107 /nfs/dbraw/zinc/72/31/07/404723107.db2.gz AMMGIJUZHHNQTL-LLVKDONJSA-N 0 3 309.772 2.283 20 30 DEEDHN C=CCOc1cccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000415021943 404789502 /nfs/dbraw/zinc/78/95/02/404789502.db2.gz YZZGXYWROSXRMO-DOMZBBRYSA-N 0 3 319.405 2.486 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000359461931 404793475 /nfs/dbraw/zinc/79/34/75/404793475.db2.gz ISDJJKAEDSIXPB-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000359461932 404793521 /nfs/dbraw/zinc/79/35/21/404793521.db2.gz ISDJJKAEDSIXPB-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)CN1 ZINC000415115860 404810756 /nfs/dbraw/zinc/81/07/56/404810756.db2.gz AJELTUUNTPERRN-NXEZZACHSA-N 0 3 324.331 2.374 20 30 DEEDHN C=CCN(C[C@H](C)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000360018644 404812300 /nfs/dbraw/zinc/81/23/00/404812300.db2.gz VOSYRBNHWLHNRR-UONOGXRCSA-N 0 3 301.394 2.246 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000360016413 404812596 /nfs/dbraw/zinc/81/25/96/404812596.db2.gz MUTWJIDGMIMVLU-LSDHHAIUSA-N 0 3 315.479 2.305 20 30 DEEDHN C[C@@H]1CN(c2ccc(C#N)cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000376213672 404817433 /nfs/dbraw/zinc/81/74/33/404817433.db2.gz YRKYOOFWFZIFBM-RHSMWYFYSA-N 0 3 316.424 2.160 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000376347792 404819438 /nfs/dbraw/zinc/81/94/38/404819438.db2.gz BOCBTAPWNSDZDE-WMZOPIPTSA-N 0 3 321.465 2.284 20 30 DEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CCCC#N ZINC000360718831 404835402 /nfs/dbraw/zinc/83/54/02/404835402.db2.gz UNMUPEDOZGWLKV-RDJZCZTQSA-N 0 3 300.406 2.227 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000451176553 404889322 /nfs/dbraw/zinc/88/93/22/404889322.db2.gz QONXPKNSTAZAAF-RDTXWAMCSA-N 0 3 324.380 2.281 20 30 DEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415312984 404844816 /nfs/dbraw/zinc/84/48/16/404844816.db2.gz HJLNBUPQOWOOBQ-SMDDNHRTSA-N 0 3 302.378 2.101 20 30 DEEDHN Cn1cc(Br)cc1C(=O)C(C#N)c1ccncn1 ZINC000434642824 404917753 /nfs/dbraw/zinc/91/77/53/404917753.db2.gz MMAUHXNYLIUPTK-VIFPVBQESA-N 0 3 305.135 2.068 20 30 DEEDHN CC(C)C(=O)Nc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424090519 405003326 /nfs/dbraw/zinc/00/33/26/405003326.db2.gz JDYSGGMGCQOXTI-CQSZACIVSA-N 0 3 302.378 2.241 20 30 DEEDHN Cc1ccc(CNC(=O)[C@H](N)CCCC#N)c(OC(C)C)c1 ZINC000424132458 405016604 /nfs/dbraw/zinc/01/66/04/405016604.db2.gz XYKHCTWQLBAULP-OAHLLOKOSA-N 0 3 303.406 2.420 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000424135149 405018298 /nfs/dbraw/zinc/01/82/98/405018298.db2.gz ZAUZOLAHWUKIDX-SECBINFHSA-N 0 3 301.268 2.387 20 30 DEEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1C(=O)NC(C)C ZINC000424142430 405019347 /nfs/dbraw/zinc/01/93/47/405019347.db2.gz PTCIMRINDTWZFH-HNNXBMFYSA-N 0 3 316.405 2.093 20 30 DEEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1C(=O)NC(C)C ZINC000424145631 405021271 /nfs/dbraw/zinc/02/12/71/405021271.db2.gz VHDPJFYTTRJMHQ-HNNXBMFYSA-N 0 3 316.405 2.093 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000424146225 405021439 /nfs/dbraw/zinc/02/14/39/405021439.db2.gz VYYRNQZNOCDMJC-MRXNPFEDSA-N 0 3 303.381 2.380 20 30 DEEDHN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H](N)CCCC#N ZINC000424147643 405022898 /nfs/dbraw/zinc/02/28/98/405022898.db2.gz RXUQGWHKUAOPTG-LLVKDONJSA-N 0 3 306.435 2.001 20 30 DEEDHN CN(CCCCNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424154193 405024052 /nfs/dbraw/zinc/02/40/52/405024052.db2.gz LGBPPJFKHJIIAU-INIZCTEOSA-N 0 3 302.422 2.040 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000424164353 405026967 /nfs/dbraw/zinc/02/69/67/405026967.db2.gz CDFCEDZIDUNRMT-SECBINFHSA-N 0 3 307.304 2.460 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000424164353 405026971 /nfs/dbraw/zinc/02/69/71/405026971.db2.gz CDFCEDZIDUNRMT-SECBINFHSA-N 0 3 307.304 2.460 20 30 DEEDHN Cc1nc([C@@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)sc1C ZINC000424161272 405027171 /nfs/dbraw/zinc/02/71/71/405027171.db2.gz VLSSIJDIENDGBZ-KGLIPLIRSA-N 0 3 320.462 2.487 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000424176091 405031182 /nfs/dbraw/zinc/03/11/82/405031182.db2.gz RMNRPZVZVXJIDX-LSDHHAIUSA-N 0 3 321.808 2.261 20 30 DEEDHN C=CCSCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970926 404988683 /nfs/dbraw/zinc/98/86/83/404988683.db2.gz ISRZPIWWMGUTRM-UHFFFAOYSA-N 0 3 307.419 2.209 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424062773 404990329 /nfs/dbraw/zinc/99/03/29/404990329.db2.gz HUJRASMNJKBNQP-GFCCVEGCSA-N 0 3 308.769 2.258 20 30 DEEDHN COc1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424065460 404991316 /nfs/dbraw/zinc/99/13/16/404991316.db2.gz LSYKVDBSDVHLKD-JKSUJKDBSA-N 0 3 301.390 2.380 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(OC(F)F)c1 ZINC000424083861 404999643 /nfs/dbraw/zinc/99/96/43/404999643.db2.gz BJSHWKHEPRQHRZ-GXFFZTMASA-N 0 3 311.332 2.486 20 30 DEEDHN CN(C)C1(CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000416305154 405095774 /nfs/dbraw/zinc/09/57/74/405095774.db2.gz AOVKWNIBZPLIKE-UHFFFAOYSA-N 0 3 322.206 2.145 20 30 DEEDHN COC1(CN2CCN(c3ccc(C#N)cn3)CC2)CCCCC1 ZINC000361492813 405099562 /nfs/dbraw/zinc/09/95/62/405099562.db2.gz MJIXTCNCRYJYGS-UHFFFAOYSA-N 0 3 314.433 2.425 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000367603992 405100904 /nfs/dbraw/zinc/10/09/04/405100904.db2.gz QGNXWFRCQQEATO-MRXNPFEDSA-N 0 3 307.438 2.078 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000436200802 405057702 /nfs/dbraw/zinc/05/77/02/405057702.db2.gz GPBBFQHRJWXCEN-CQSZACIVSA-N 0 3 301.390 2.454 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2ccc(C#N)c(F)c2)CC1 ZINC000451982740 405118111 /nfs/dbraw/zinc/11/81/11/405118111.db2.gz JYUDVDCIIUMEPR-UHFFFAOYSA-N 0 3 318.440 2.203 20 30 DEEDHN C=CCCn1cc(C(=O)N(CCN(C)C)c2ccccc2)nn1 ZINC000424631313 405132842 /nfs/dbraw/zinc/13/28/42/405132842.db2.gz VDTBXSVIMSFWIZ-UHFFFAOYSA-N 0 3 313.405 2.063 20 30 DEEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000452068912 405150720 /nfs/dbraw/zinc/15/07/20/405150720.db2.gz CSWIJDFPFGDROD-HNNXBMFYSA-N 0 3 304.438 2.400 20 30 DEEDHN C#CCCCS(=O)(=O)NC1CCN(C2CCCCC2)CC1 ZINC000367777340 405151103 /nfs/dbraw/zinc/15/11/03/405151103.db2.gz HGIPMDQAECWZRX-UHFFFAOYSA-N 0 3 312.479 2.116 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)[C@]3(C#N)CC34CCCC4)C2)C1 ZINC000452153159 405196620 /nfs/dbraw/zinc/19/66/20/405196620.db2.gz QTYIASBRJVPDCT-SJLPKXTDSA-N 0 3 301.434 2.405 20 30 DEEDHN C[C@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN(C2CC2)C1 ZINC000452167402 405200413 /nfs/dbraw/zinc/20/04/13/405200413.db2.gz VWECCIRLZFLEOF-KDOFPFPSSA-N 0 3 301.434 2.403 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CN1C1CC1 ZINC000408422117 405203265 /nfs/dbraw/zinc/20/32/65/405203265.db2.gz DYGBPNBJZPTIQX-URGYJCLVSA-N 0 3 304.438 2.241 20 30 DEEDHN CN(C)C1(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000419001281 405218494 /nfs/dbraw/zinc/21/84/94/405218494.db2.gz AGAGWNUXFQLAJO-UHFFFAOYSA-N 0 3 320.318 2.452 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)c1cc(C)ncc1C#N ZINC000425267239 405266108 /nfs/dbraw/zinc/26/61/08/405266108.db2.gz LCQUMZJGOWGMTD-UHFFFAOYSA-N 0 3 315.465 2.116 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)c3cccc(SCC#N)c3)C[C@@H]21 ZINC000452975109 405268250 /nfs/dbraw/zinc/26/82/50/405268250.db2.gz NBSFGJJUCBRNBI-HIFRSBDPSA-N 0 3 301.415 2.078 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000437930545 405224810 /nfs/dbraw/zinc/22/48/10/405224810.db2.gz JHHDZLFFGUNOCR-HZPDHXFCSA-N 0 3 311.470 2.197 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)[C@@H]2C1 ZINC000425057507 405238940 /nfs/dbraw/zinc/23/89/40/405238940.db2.gz AXFFJJGELMJFKV-SWLSCSKDSA-N 0 3 303.793 2.378 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000438442056 405246927 /nfs/dbraw/zinc/24/69/27/405246927.db2.gz IFDCPEMIHGITGM-JKSUJKDBSA-N 0 3 309.454 2.093 20 30 DEEDHN Cc1cc(NCCc2ccc(OCCN(C)C)cc2)c(C#N)cn1 ZINC000425230252 405261048 /nfs/dbraw/zinc/26/10/48/405261048.db2.gz SALKGSUWSMEKFO-UHFFFAOYSA-N 0 3 324.428 2.279 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454316657 405327555 /nfs/dbraw/zinc/32/75/55/405327555.db2.gz KIDOITOFYGHYGU-CYBMUJFWSA-N 0 3 318.396 2.228 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CCCN1C ZINC000425469654 405295688 /nfs/dbraw/zinc/29/56/88/405295688.db2.gz FQUZHAPSCCJSOJ-XJKSGUPXSA-N 0 3 300.406 2.355 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@H](C)c1cccs1 ZINC000429706435 405443888 /nfs/dbraw/zinc/44/38/88/405443888.db2.gz GALPOSYZCBHFFI-CQSZACIVSA-N 0 3 309.479 2.365 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@H](C)c1ccccc1 ZINC000429707374 405443970 /nfs/dbraw/zinc/44/39/70/405443970.db2.gz IYNRZOODOFDUMK-MRXNPFEDSA-N 0 3 303.450 2.304 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429715699 405445032 /nfs/dbraw/zinc/44/50/32/405445032.db2.gz NVOVEWMFMVTATL-UHFFFAOYSA-N 0 3 320.481 2.111 20 30 DEEDHN N#Cc1ncc(NC(=O)NCCN2CCCCC2)cc1Cl ZINC000455747660 405447137 /nfs/dbraw/zinc/44/71/37/405447137.db2.gz CNAMKJWYJLMJDA-UHFFFAOYSA-N 0 3 307.785 2.214 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCCN1C ZINC000455778338 405449282 /nfs/dbraw/zinc/44/92/82/405449282.db2.gz GLKIJCMMYWPTEX-BXKDBHETSA-N 0 3 307.785 2.211 20 30 DEEDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000492053449 405470907 /nfs/dbraw/zinc/47/09/07/405470907.db2.gz ZTBGQMBWSAUAER-JCVNQNCUSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCOCCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633160106 405474216 /nfs/dbraw/zinc/47/42/16/405474216.db2.gz QWNLMNWOMUQYQM-KRWDZBQOSA-N 0 3 317.433 2.071 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458719197 405556575 /nfs/dbraw/zinc/55/65/75/405556575.db2.gz ASNULYSURPHGAG-XYJFISCASA-N 0 3 321.465 2.095 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000449520223 405595570 /nfs/dbraw/zinc/59/55/70/405595570.db2.gz OUWCWXBTRVTDKW-OCCSQVGLSA-N 0 3 307.463 2.343 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCCS(=O)(=O)c1ccccc1 ZINC000580185275 405602968 /nfs/dbraw/zinc/60/29/68/405602968.db2.gz DNOHQKMZDCFDJA-GDBMZVCRSA-N 0 3 309.431 2.031 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000458937058 405663899 /nfs/dbraw/zinc/66/38/99/405663899.db2.gz NZKOJIUQAFVKBO-CVEARBPZSA-N 0 3 311.470 2.123 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000459010304 405691151 /nfs/dbraw/zinc/69/11/51/405691151.db2.gz BKGIUCAAMBXJLK-CABCVRRESA-N 0 3 309.454 2.093 20 30 DEEDHN CCN1CCC(NC(=O)Nc2ccc(COC)c(C#N)c2)CC1 ZINC000529214900 405754024 /nfs/dbraw/zinc/75/40/24/405754024.db2.gz ADOJJFNKWXWFIU-UHFFFAOYSA-N 0 3 316.405 2.310 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000457234520 405762846 /nfs/dbraw/zinc/76/28/46/405762846.db2.gz JGUKWHHJLABFNF-UHFFFAOYSA-N 0 3 312.373 2.283 20 30 DEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)cn1 ZINC000584180276 405842211 /nfs/dbraw/zinc/84/22/11/405842211.db2.gz ICCPVQAUVUEXMK-KSSFIOAISA-N 0 3 323.396 2.463 20 30 DEEDHN CN(CCOc1ccc(C#N)cc1)C[C@H](O)Cc1ccccc1 ZINC000433041868 405855716 /nfs/dbraw/zinc/85/57/16/405855716.db2.gz WGIOMPLHLREWRO-GOSISDBHSA-N 0 3 310.397 2.472 20 30 DEEDHN CC(C)(O)CN(Cc1ccc(C#N)cc1F)C1CCOCC1 ZINC000531416178 405955862 /nfs/dbraw/zinc/95/58/62/405955862.db2.gz OTHPJIJQVGMQMJ-UHFFFAOYSA-N 0 3 306.381 2.449 20 30 DEEDHN CC1CC(C#N)(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000531563824 405977528 /nfs/dbraw/zinc/97/75/28/405977528.db2.gz QQKVWLIFTWYJBQ-UHFFFAOYSA-N 0 3 315.417 2.183 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000515792210 406080388 /nfs/dbraw/zinc/08/03/88/406080388.db2.gz USEQVMMESNBNMA-IKGGRYGDSA-N 0 3 313.401 2.211 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCC2(C#N)CCC2)C[C@@H](C)C1 ZINC000563629308 406061059 /nfs/dbraw/zinc/06/10/59/406061059.db2.gz YCMJVIZJWSIYCH-SOUVJXGZSA-N 0 3 304.438 2.052 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cn(C)c3ccccc23)CC1 ZINC000517308824 406125615 /nfs/dbraw/zinc/12/56/15/406125615.db2.gz CICJOEOSMPIJHK-UHFFFAOYSA-N 0 3 311.429 2.487 20 30 DEEDHN CN(Cc1ccc(Br)o1)C(=O)[C@H](N)CCCC#N ZINC000519173076 406183944 /nfs/dbraw/zinc/18/39/44/406183944.db2.gz HCUJKQWXNZADKQ-SNVBAGLBSA-N 0 3 314.183 2.022 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639752924 406235435 /nfs/dbraw/zinc/23/54/35/406235435.db2.gz XTLZGZQQMRMTHL-JKSUJKDBSA-N 0 3 309.498 2.462 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C[C@H]1C ZINC000536560939 406265523 /nfs/dbraw/zinc/26/55/23/406265523.db2.gz XZXLDBMPDYVOOY-ZIAGYGMSSA-N 0 3 315.417 2.259 20 30 DEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H](C)C(C)(C)C)CC1 ZINC000538138923 406293937 /nfs/dbraw/zinc/29/39/37/406293937.db2.gz GVDDYEWWYCNRIF-JKSUJKDBSA-N 0 3 322.497 2.045 20 30 DEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H](C)C(C)(C)C)CC1 ZINC000538138792 406294168 /nfs/dbraw/zinc/29/41/68/406294168.db2.gz GVDDYEWWYCNRIF-CVEARBPZSA-N 0 3 322.497 2.045 20 30 DEEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000489424080 406404136 /nfs/dbraw/zinc/40/41/36/406404136.db2.gz JALCWQGIEUGANL-OAHLLOKOSA-N 0 3 301.390 2.155 20 30 DEEDHN C=C[C@@H]1CCCCN1CCC(=O)NCC(=O)c1ccccc1 ZINC000489421795 406404592 /nfs/dbraw/zinc/40/45/92/406404592.db2.gz DXELMUYXUJGLJZ-MRXNPFEDSA-N 0 3 300.402 2.416 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000546708180 406376183 /nfs/dbraw/zinc/37/61/83/406376183.db2.gz WXTKSRRFGJHACS-CQSZACIVSA-N 0 3 316.405 2.372 20 30 DEEDHN C#CCN(CCc1nnnn1-c1ccccc1)C1CCCCC1 ZINC000490574974 406471794 /nfs/dbraw/zinc/47/17/94/406471794.db2.gz IKERJBRIBGMFSW-UHFFFAOYSA-N 0 3 309.417 2.473 20 30 DEEDHN C#CCN(CC)C[C@H](O)COc1ccc(Br)cc1 ZINC000490740353 406488159 /nfs/dbraw/zinc/48/81/59/406488159.db2.gz KESYXMHNICGAKK-ZDUSSCGKSA-N 0 3 312.207 2.144 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](C)NCC)cc(OC)c1OC ZINC000637967292 406500469 /nfs/dbraw/zinc/50/04/69/406500469.db2.gz NZSGVNAWCFCMQM-LBPRGKRZSA-N 0 3 306.406 2.047 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000490831669 406497152 /nfs/dbraw/zinc/49/71/52/406497152.db2.gz WOTZTUONKDITIV-YOEHRIQHSA-N 0 3 303.450 2.447 20 30 DEEDHN C=CCCOCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000489794190 406432221 /nfs/dbraw/zinc/43/22/21/406432221.db2.gz SPCDHHLMDGRISE-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN N#CCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000570887799 406451082 /nfs/dbraw/zinc/45/10/82/406451082.db2.gz SPSYIOSILTYEQR-MRXNPFEDSA-N 0 3 304.438 2.339 20 30 DEEDHN C=CCSc1ccccc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000640322869 406464185 /nfs/dbraw/zinc/46/41/85/406464185.db2.gz STHOOXZBJNFLSG-AWEZNQCLSA-N 0 3 320.458 2.151 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccc(OCC=C)c2)CC1 ZINC000491200946 406542190 /nfs/dbraw/zinc/54/21/90/406542190.db2.gz DHZMCIWDFIOGEV-UHFFFAOYSA-N 0 3 312.413 2.213 20 30 DEEDHN C#CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000491228867 406548769 /nfs/dbraw/zinc/54/87/69/406548769.db2.gz CPNGWQSNHYOMTN-ZFWWWQNUSA-N 0 3 305.447 2.406 20 30 DEEDHN C=C(C)COc1cccc(NC(=O)[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000635483513 406556305 /nfs/dbraw/zinc/55/63/05/406556305.db2.gz VPMJIBGQLUPDIF-DOTOQJQBSA-N 0 3 316.401 2.443 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000491267426 406557851 /nfs/dbraw/zinc/55/78/51/406557851.db2.gz SYZIROYQJMVFTM-ZDUSSCGKSA-N 0 3 319.371 2.316 20 30 DEEDHN C#CCN(C)CCCNC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000491294515 406562502 /nfs/dbraw/zinc/56/25/02/406562502.db2.gz BXLAFAYGXWCSMQ-CQSZACIVSA-N 0 3 303.406 2.470 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(CC)cc1 ZINC000491452276 406596222 /nfs/dbraw/zinc/59/62/22/406596222.db2.gz KFXDYZGZNKVIEO-UHFFFAOYSA-N 0 3 301.434 2.346 20 30 DEEDHN C#CCNC(=O)CCNCc1cccc(COC(C)(C)C)c1 ZINC000491483266 406602204 /nfs/dbraw/zinc/60/22/04/406602204.db2.gz APVMYWDGDWKDDW-UHFFFAOYSA-N 0 3 302.418 2.231 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000491525798 406611952 /nfs/dbraw/zinc/61/19/52/406611952.db2.gz VHFBFWFFFKRBKN-OAHLLOKOSA-N 0 3 313.445 2.486 20 30 DEEDHN CC(C#N)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000491407846 406586594 /nfs/dbraw/zinc/58/65/94/406586594.db2.gz WSVFXPVACXVSPJ-LBPRGKRZSA-N 0 3 309.410 2.490 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000527128506 406586813 /nfs/dbraw/zinc/58/68/13/406586813.db2.gz LZHHRHCNTRHPIJ-NUEKZKHPSA-N 0 3 319.449 2.074 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000572353263 406650890 /nfs/dbraw/zinc/65/08/90/406650890.db2.gz DGJPEVVFCBSETK-CYBMUJFWSA-N 0 3 302.378 2.125 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000491659820 406655526 /nfs/dbraw/zinc/65/55/26/406655526.db2.gz CENAZHQUJGKTAW-UHFFFAOYSA-N 0 3 300.402 2.198 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000491743958 406698908 /nfs/dbraw/zinc/69/89/08/406698908.db2.gz IJGCEDAYCGAEOG-HNNXBMFYSA-N 0 3 322.355 2.395 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000491643324 406647357 /nfs/dbraw/zinc/64/73/57/406647357.db2.gz FKYAFNLDVNEVDQ-UHFFFAOYSA-N 0 3 319.371 2.316 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000491813932 406733402 /nfs/dbraw/zinc/73/34/02/406733402.db2.gz LPUHMVVNZCXTMU-MRXNPFEDSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)CC1 ZINC000491933509 406782152 /nfs/dbraw/zinc/78/21/52/406782152.db2.gz CAZGVLKEMVLEPW-FNORWQNLSA-N 0 3 324.424 2.239 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccccc2OC)CC1 ZINC000491909704 406773466 /nfs/dbraw/zinc/77/34/66/406773466.db2.gz BZJNHNGIIBRNAM-KTKRTIGZSA-N 0 3 312.413 2.312 20 30 DEEDHN CCOc1ccc(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000573438653 406773594 /nfs/dbraw/zinc/77/35/94/406773594.db2.gz IRDKDGNWICAHQF-ZNMIVQPWSA-N 0 3 304.390 2.107 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000554142239 406786200 /nfs/dbraw/zinc/78/62/00/406786200.db2.gz QQYZPCBLOKROCO-MRXNPFEDSA-N 0 3 303.793 2.379 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCCc1cnc2ccccc2c1 ZINC001354931425 1151958662 /nfs/dbraw/zinc/95/86/62/1151958662.db2.gz MXYSKRGTCLTOBI-INIZCTEOSA-N 0 3 310.401 2.305 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000643901949 407061210 /nfs/dbraw/zinc/06/12/10/407061210.db2.gz YBMQJXYEBGJGPU-AEGPPILISA-N 0 3 302.353 2.214 20 30 DEEDHN CCOCC[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000644515313 407133636 /nfs/dbraw/zinc/13/36/36/407133636.db2.gz GDTIBLWIQMYWTB-HNNXBMFYSA-N 0 3 315.335 2.434 20 30 DEEDHN C=CCC[C@@H](O)CN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000129114984 196021048 /nfs/dbraw/zinc/02/10/48/196021048.db2.gz YDCBHRDUUQKFOJ-OAHLLOKOSA-N 0 3 307.390 2.191 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129461605 196050708 /nfs/dbraw/zinc/05/07/08/196050708.db2.gz KKEPMLANDZVWEQ-ULQDDVLXSA-N 0 3 316.449 2.355 20 30 DEEDHN CN(C)CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000130942452 196125343 /nfs/dbraw/zinc/12/53/43/196125343.db2.gz ITLCWGKZFOPHSY-UHFFFAOYSA-N 0 3 313.357 2.022 20 30 DEEDHN CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000130977998 196128803 /nfs/dbraw/zinc/12/88/03/196128803.db2.gz OIKLSMPPZKXICZ-UHFFFAOYSA-N 0 3 315.417 2.268 20 30 DEEDHN C=C(C)COCCNCc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000134508860 196397588 /nfs/dbraw/zinc/39/75/88/196397588.db2.gz NPZRBLVAZBNOAT-UHFFFAOYSA-N 0 3 315.417 2.167 20 30 DEEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000190530041 225088683 /nfs/dbraw/zinc/08/86/83/225088683.db2.gz BWCGQQMFROPBIT-ZDUSSCGKSA-N 0 3 320.462 2.282 20 30 DEEDHN N#CCCN(Cc1cccnc1)C(=O)C1CCN(C2CC2)CC1 ZINC000192567186 225136721 /nfs/dbraw/zinc/13/67/21/225136721.db2.gz ZQBPSZXSEPHDQB-UHFFFAOYSA-N 0 3 312.417 2.198 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000193265962 225154814 /nfs/dbraw/zinc/15/48/14/225154814.db2.gz BZNXREAAISFKGU-SWLSCSKDSA-N 0 3 300.406 2.341 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCCC#N ZINC000248870516 225240766 /nfs/dbraw/zinc/24/07/66/225240766.db2.gz QMKMROFFECCOAY-NVXWUHKLSA-N 0 3 314.433 2.500 20 30 DEEDHN COC[C@@H](NCc1ccc(N(C)CCC#N)cc1)[C@@H]1CCCO1 ZINC000278543627 225477890 /nfs/dbraw/zinc/47/78/90/225477890.db2.gz AHSDSRQMSOGXRH-MSOLQXFVSA-N 0 3 317.433 2.320 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000279268578 225486005 /nfs/dbraw/zinc/48/60/05/225486005.db2.gz IXSUQTRILUVKGR-IXDOHACOSA-N 0 3 309.369 2.020 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2cccc3c2OCO3)CCSC1 ZINC000329314946 225864551 /nfs/dbraw/zinc/86/45/51/225864551.db2.gz DPCINXQIXVVHNM-HNNXBMFYSA-N 0 3 323.418 2.179 20 30 DEEDHN O=C(NCC1CCN(CCO)CC1)c1sccc1Cl ZINC000330597163 226015199 /nfs/dbraw/zinc/01/51/99/226015199.db2.gz AGEMWTYYGVRHIQ-UHFFFAOYSA-N 0 3 302.827 2.410 20 30 DEEDHN COc1cnc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)s1 ZINC000330716090 226025635 /nfs/dbraw/zinc/02/56/35/226025635.db2.gz BWSUNGMLTGQNQN-JTQLQIEISA-N 0 3 312.439 2.359 20 30 DEEDHN CC(C#N)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000332235155 226096121 /nfs/dbraw/zinc/09/61/21/226096121.db2.gz QSDFAININSKZMT-LBPRGKRZSA-N 0 3 319.792 2.174 20 30 DEEDHN Cn1cnnc1[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339361188 226185763 /nfs/dbraw/zinc/18/57/63/226185763.db2.gz ZWAGGNQKUMGRFA-JKSUJKDBSA-N 0 3 323.400 2.251 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(-n3ccnn3)c2)nc(C)n1 ZINC000339652869 226191174 /nfs/dbraw/zinc/19/11/74/226191174.db2.gz XFWUJGYLNNHRBD-OAHLLOKOSA-N 0 3 318.340 2.164 20 30 DEEDHN O=C(NCC#Cc1cccc(F)c1)[C@H](C1CC1)N1CCCC1 ZINC000338243121 226158671 /nfs/dbraw/zinc/15/86/71/226158671.db2.gz UAAJYHWVBFCMGO-KRWDZBQOSA-N 0 3 300.377 2.168 20 30 DEEDHN C#Cc1cccc(NC2CCN(CCCC(=O)OC)CC2)c1 ZINC000291020831 222078632 /nfs/dbraw/zinc/07/86/32/222078632.db2.gz GUDLHLDGJWCCFK-UHFFFAOYSA-N 0 3 300.402 2.497 20 30 DEEDHN N#CC1(NC(=O)CN2CC[C@@H](C3CCOCC3)C2)CCCCC1 ZINC000374358824 227132206 /nfs/dbraw/zinc/13/22/06/227132206.db2.gz LGWFFGYMFVTOEZ-MRXNPFEDSA-N 0 3 319.449 2.078 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000375485532 227150828 /nfs/dbraw/zinc/15/08/28/227150828.db2.gz QUQNVCXCUKQALA-UOJCXKCYSA-N 0 3 313.401 2.063 20 30 DEEDHN CCCCc1nnc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)s1 ZINC000330775390 424911323 /nfs/dbraw/zinc/91/13/23/424911323.db2.gz SDXOXQFYKIPIJN-NSHDSACASA-N 0 3 323.466 2.857 20 30 DEEDHN C=CCN1CCC(Nc2nc(C3CC3)nc(C)c2OC)CC1 ZINC000567654593 424915195 /nfs/dbraw/zinc/91/51/95/424915195.db2.gz OROKPCQVKRUXRV-UHFFFAOYSA-N 0 3 302.422 2.733 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC000648773440 424904271 /nfs/dbraw/zinc/90/42/71/424904271.db2.gz JYWZNEJAVLMSAA-AWEZNQCLSA-N 0 3 304.438 2.163 20 30 DEEDHN N#Cc1ccc(N[C@H](CN2CCCC2)c2ccccc2)nc1N ZINC000580094950 424966280 /nfs/dbraw/zinc/96/62/80/424966280.db2.gz CGZZCGQLMFTGAH-MRXNPFEDSA-N 0 3 307.401 2.784 20 30 DEEDHN CN(Cc1cccnc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349252474 266574922 /nfs/dbraw/zinc/57/49/22/266574922.db2.gz NCVLHBFDFDWEQT-KRWDZBQOSA-N 0 3 304.353 2.294 20 30 DEEDHN C=C(C)[C@@H](CO)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000649406917 425012470 /nfs/dbraw/zinc/01/24/70/425012470.db2.gz RLUSTMSPDZJGMD-MRXNPFEDSA-N 0 3 301.386 2.484 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000649361110 425000059 /nfs/dbraw/zinc/00/00/59/425000059.db2.gz UBRUGJQXWNEPFV-MRXNPFEDSA-N 0 3 318.417 2.283 20 30 DEEDHN Cc1nc(NCC2CCN(Cc3ccncc3)CC2)ccc1C#N ZINC000596437671 425024795 /nfs/dbraw/zinc/02/47/95/425024795.db2.gz XJRWAQNIIGKYPW-UHFFFAOYSA-N 0 3 321.428 2.981 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)OC[C@H]2C)CC1 ZINC000650851853 425067030 /nfs/dbraw/zinc/06/70/30/425067030.db2.gz HKCGJNRJUGWONW-GDBMZVCRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000651725498 425144744 /nfs/dbraw/zinc/14/47/44/425144744.db2.gz GSJKKIPFHMDHPO-ILXRZTDVSA-N 0 3 302.422 2.168 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)COCC2CC2)CC1 ZINC000660707909 425213550 /nfs/dbraw/zinc/21/35/50/425213550.db2.gz SIOQGFRJXLSPFI-HNNXBMFYSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN(C(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@H](C)COC ZINC000664033608 425293792 /nfs/dbraw/zinc/29/37/92/425293792.db2.gz SRAFQHZGQGCYJE-OWCLPIDISA-N 0 3 311.470 2.482 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000661037843 425304202 /nfs/dbraw/zinc/30/42/02/425304202.db2.gz WCQXTSSKGZCSHV-IAGOWNOFSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)[C@@H]2CCCCO2)CC1 ZINC000654431207 425352036 /nfs/dbraw/zinc/35/20/36/425352036.db2.gz AKDYTXBYTNHVDS-CVEARBPZSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ncc(C)cc2C)CC1 ZINC000654431529 425352285 /nfs/dbraw/zinc/35/22/85/425352285.db2.gz OVYZZTOLXGJXPU-UHFFFAOYSA-N 0 3 316.449 2.191 20 30 DEEDHN CC[C@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516563246 267227212 /nfs/dbraw/zinc/22/72/12/267227212.db2.gz AFHCFLQFCCHJTL-LSDHHAIUSA-N 0 3 321.446 2.143 20 30 DEEDHN C=CCn1cc(C(=O)Nc2cnccc2NC(CC)CC)nn1 ZINC000655098731 425499031 /nfs/dbraw/zinc/49/90/31/425499031.db2.gz UNOPUKHWTQZCSL-UHFFFAOYSA-N 0 3 314.393 2.134 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000665385355 425560784 /nfs/dbraw/zinc/56/07/84/425560784.db2.gz BEHRKJKDYJWOHJ-IXDOHACOSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCN(C(=O)NCc1ccc2c(c1)CNC2)[C@@H](C)COC ZINC000659533530 425623072 /nfs/dbraw/zinc/62/30/72/425623072.db2.gz LVUPFYPMGHYFLW-ZDUSSCGKSA-N 0 3 303.406 2.022 20 30 DEEDHN N#Cc1cccnc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397555250 269106507 /nfs/dbraw/zinc/10/65/07/269106507.db2.gz KMCWGEIYORIKFZ-UHFFFAOYSA-N 0 3 322.412 2.392 20 30 DEEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000275274200 274079079 /nfs/dbraw/zinc/07/90/79/274079079.db2.gz VHGXJCNDDYZGLU-KBPBESRZSA-N 0 3 305.378 2.254 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000367416329 275417613 /nfs/dbraw/zinc/41/76/13/275417613.db2.gz UYXIUPHZXQNRKP-IRXDYDNUSA-N 0 3 321.465 2.380 20 30 DEEDHN CC(C)(C)N1C[C@H](C(=O)NC2CCN(C3CC3)CC2)CC1=O ZINC000328998134 277158572 /nfs/dbraw/zinc/15/85/72/277158572.db2.gz WVQOKPWWKJEDAK-GFCCVEGCSA-N 0 3 307.438 2.217 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(c2nc3ccccn3c2C#N)C[C@@H](C)C1 ZINC000488719784 278035763 /nfs/dbraw/zinc/03/57/63/278035763.db2.gz OXIJELAULCKBSZ-RRFJBIMHSA-N 0 3 309.417 2.372 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCOCC1 ZINC000155819359 278148816 /nfs/dbraw/zinc/14/88/16/278148816.db2.gz QAMMQXDCCGJQJL-CQSZACIVSA-N 0 3 307.438 2.076 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C12CCCC2 ZINC000450967389 279918723 /nfs/dbraw/zinc/91/87/23/279918723.db2.gz JBMMLLQWDODAAP-CABCVRRESA-N 0 3 307.438 2.076 20 30 DEEDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1 ZINC000182342216 289978566 /nfs/dbraw/zinc/97/85/66/289978566.db2.gz ITRSUFNQNFJTRH-BBRMVZONSA-N 0 3 302.374 2.131 20 30 DEEDHN C[C@H](N[C@H]1CCCC[C@H]1OC(F)F)C(=O)NC1(C#N)CCC1 ZINC000337382553 290044480 /nfs/dbraw/zinc/04/44/80/290044480.db2.gz DRJATNMCHPCACL-SDDRHHMPSA-N 0 3 315.364 2.077 20 30 DEEDHN COC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000181561868 293156603 /nfs/dbraw/zinc/15/66/03/293156603.db2.gz ZRUDTJRKSBYVLH-HZMBPMFUSA-N 0 3 305.378 2.110 20 30 DEEDHN COC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000136641336 293163446 /nfs/dbraw/zinc/16/34/46/293163446.db2.gz ODRHPQOPSMWREE-PBHICJAKSA-N 0 3 315.417 2.336 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(C(F)F)CC2)cc1 ZINC000317310870 303195757 /nfs/dbraw/zinc/19/57/57/303195757.db2.gz BFPTUKZSOPAUJJ-AWEZNQCLSA-N 0 3 310.344 2.275 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(CCCC)c2C)[C@H]1C ZINC001088968099 782084321 /nfs/dbraw/zinc/08/43/21/782084321.db2.gz HRLQVQBUWKYKJB-WBVHZDCISA-N 0 3 316.449 2.208 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2cccs2)cc1 ZINC000163064688 325704194 /nfs/dbraw/zinc/70/41/94/325704194.db2.gz IEMIEDNDSSRUQG-UHFFFAOYSA-N 0 3 320.439 2.226 20 30 DEEDHN N#Cc1ccc(=O)n(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000575236670 326231107 /nfs/dbraw/zinc/23/11/07/326231107.db2.gz LBVKYQRGVFCIHU-SFHVURJKSA-N 0 3 323.396 2.011 20 30 DEEDHN N#CCC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000583984181 331514946 /nfs/dbraw/zinc/51/49/46/331514946.db2.gz CQPOUNXDGSOXIX-QGZVFWFLSA-N 0 3 312.417 2.209 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255472387 331751149 /nfs/dbraw/zinc/75/11/49/331751149.db2.gz ODWGBIOOIYGIIU-SREVYHEPSA-N 0 3 315.373 2.375 20 30 DEEDHN N#CC1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000580147340 332960363 /nfs/dbraw/zinc/96/03/63/332960363.db2.gz VYOOGSTVADCKAE-MRXNPFEDSA-N 0 3 312.417 2.426 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CC(C)(C)c2ccccc21 ZINC000562996825 333026238 /nfs/dbraw/zinc/02/62/38/333026238.db2.gz OIEYGEPGXPZYJW-PBHICJAKSA-N 0 3 301.434 2.205 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000497150303 333090057 /nfs/dbraw/zinc/09/00/57/333090057.db2.gz UEYIEDKTVMOITG-OAHLLOKOSA-N 0 3 309.454 2.190 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(-c2ccncc2)cc1 ZINC000582058349 333193359 /nfs/dbraw/zinc/19/33/59/333193359.db2.gz XORQNKBGUBROKW-LJQANCHMSA-N 0 3 324.428 2.045 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 ZINC000120333985 334317631 /nfs/dbraw/zinc/31/76/31/334317631.db2.gz KOIXWVPUQDTZTR-KRWDZBQOSA-N 0 3 322.474 2.047 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)[C@H]1C ZINC001088979706 782096091 /nfs/dbraw/zinc/09/60/91/782096091.db2.gz BVFNTHNRHKJHEN-ZBFHGGJFSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1ccc(C)c(F)c1 ZINC000583675226 336395074 /nfs/dbraw/zinc/39/50/74/336395074.db2.gz SUNLGBBXODQLFT-CVEARBPZSA-N 0 3 306.381 2.074 20 30 DEEDHN CN(C)[C@@H](CNc1ncncc1C#N)c1ccc(Cl)cc1 ZINC000583868686 337363262 /nfs/dbraw/zinc/36/32/62/337363262.db2.gz HVXIGBKPJCWMSC-AWEZNQCLSA-N 0 3 301.781 2.138 20 30 DEEDHN N#CCCC1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000516472859 338013230 /nfs/dbraw/zinc/01/32/30/338013230.db2.gz NOHPXAMLPAYQJA-KRWDZBQOSA-N 0 3 319.449 2.172 20 30 DEEDHN N#CCC1CCN(CCC(=O)N2CCOc3ccccc32)CC1 ZINC000516498571 338013954 /nfs/dbraw/zinc/01/39/54/338013954.db2.gz HYXGGEOTQDRCSB-UHFFFAOYSA-N 0 3 313.401 2.428 20 30 DEEDHN C=CCN(CCOC)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496781952 340012809 /nfs/dbraw/zinc/01/28/09/340012809.db2.gz QXMCBRTZENVISI-RHSMWYFYSA-N 0 3 310.438 2.378 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000516592280 340128165 /nfs/dbraw/zinc/12/81/65/340128165.db2.gz LZXDGMRNLGYNMN-ZHCJQAHYSA-N 0 3 306.450 2.156 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(CC#N)CC1)N1CCC[C@@H](C)C1 ZINC000542848169 341023513 /nfs/dbraw/zinc/02/35/13/341023513.db2.gz ZTNZILPEKDVXOM-CABCVRRESA-N 0 3 306.454 2.442 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000546680483 341178592 /nfs/dbraw/zinc/17/85/92/341178592.db2.gz XCEDRXQCMWYSOR-HZPDHXFCSA-N 0 3 322.449 2.123 20 30 DEEDHN CC(C)[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(F)cc1 ZINC000576089172 341825453 /nfs/dbraw/zinc/82/54/53/341825453.db2.gz KKLLQWZMWMBOJM-DLBZAZTESA-N 0 3 307.413 2.319 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(C)C ZINC000348778545 341957499 /nfs/dbraw/zinc/95/74/99/341957499.db2.gz ANHXUKZEOQLNEQ-YJBOKZPZSA-N 0 3 319.449 2.406 20 30 DEEDHN CC[C@H](CNC(=O)CC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001378214395 1152223248 /nfs/dbraw/zinc/22/32/48/1152223248.db2.gz QKFHLDNUIIJBHT-OAHLLOKOSA-N 0 3 303.381 2.482 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)CCCF)C2)cc1F ZINC001376916958 1159845078 /nfs/dbraw/zinc/84/50/78/1159845078.db2.gz YUSSTRIBZMDUEX-AWEZNQCLSA-N 0 3 307.344 2.138 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cncc(OC)c1C ZINC001377055906 1159886939 /nfs/dbraw/zinc/88/69/39/1159886939.db2.gz VFISTSVRCHJRNO-NSHDSACASA-N 0 3 311.813 2.249 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)cc1C(=O)OC ZINC001357215226 1152272097 /nfs/dbraw/zinc/27/20/97/1152272097.db2.gz UEYMBSMDEXOWRS-CYBMUJFWSA-N 0 3 306.362 2.104 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)CC(C)C)C[C@H]1OCC ZINC001397162206 1160025980 /nfs/dbraw/zinc/02/59/80/1160025980.db2.gz LSADFYDLCOXSPX-ZIAGYGMSSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cnsn1 ZINC001398196593 1160812535 /nfs/dbraw/zinc/81/25/35/1160812535.db2.gz SVJSZTQCWVQZJE-PWSUYJOCSA-N 0 3 314.842 2.263 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C1CN(C[C@H]2CCCCO2)C1 ZINC001329985424 1149027906 /nfs/dbraw/zinc/02/79/06/1149027906.db2.gz UGACNPCKWWJBEQ-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Br)CNC[C@@H](NC(=O)[C@H](C)OC)C(C)(C)C ZINC001369538888 1149028263 /nfs/dbraw/zinc/02/82/63/1149028263.db2.gz HZRFMEBTCFAVJD-WDEREUQCSA-N 0 3 321.259 2.050 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@H](F)C(C)C)C1 ZINC001368820215 1148689494 /nfs/dbraw/zinc/68/94/94/1148689494.db2.gz DIDATHWWIODDEH-HTAVTVPLSA-N 0 3 321.234 2.374 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378743809 1152432417 /nfs/dbraw/zinc/43/24/17/1152432417.db2.gz NYUMOHRNTGTVIX-WBMJQRKESA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@H](CNCc1ccccc1F)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001378756901 1152436349 /nfs/dbraw/zinc/43/63/49/1152436349.db2.gz HYFYIOXPGZVSHC-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1(CC#N)CC1 ZINC000341455230 533742590 /nfs/dbraw/zinc/74/25/90/533742590.db2.gz DPHKCLBVLCHACJ-HNNXBMFYSA-N 0 3 314.433 2.500 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000299331806 533900926 /nfs/dbraw/zinc/90/09/26/533900926.db2.gz HRZDJWDGIPBTOB-HNNXBMFYSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001358794669 1152485716 /nfs/dbraw/zinc/48/57/16/1152485716.db2.gz KOBNRZZULSASES-ROUUACIJSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001358794910 1152486631 /nfs/dbraw/zinc/48/66/31/1152486631.db2.gz PEAXPVHJMFPJCW-KDOFPFPSSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000451610786 534609002 /nfs/dbraw/zinc/60/90/02/534609002.db2.gz ZQYQSUOQEXQNMU-ZIFCJYIRSA-N 0 3 314.429 2.495 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000451601810 534609435 /nfs/dbraw/zinc/60/94/35/534609435.db2.gz VYRVZEKJESGZPL-DFBGVHRSSA-N 0 3 308.809 2.450 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451608381 534610534 /nfs/dbraw/zinc/61/05/34/534610534.db2.gz SANRMJKDFLKJGR-KYOSRNDESA-N 0 3 319.361 2.163 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000451596655 534611194 /nfs/dbraw/zinc/61/11/94/534611194.db2.gz GMYNEVHUIHAJDV-SMKXDYDZSA-N 0 3 300.402 2.286 20 30 DEEDHN CN(C[C@@H]1CCOC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245522458 523077136 /nfs/dbraw/zinc/07/71/36/523077136.db2.gz LWAULSDJPUOOLV-RDJZCZTQSA-N 0 3 313.401 2.022 20 30 DEEDHN N#CCOc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000269776680 534693728 /nfs/dbraw/zinc/69/37/28/534693728.db2.gz SFBNWVNBTVLJIK-MRXNPFEDSA-N 0 3 311.389 2.093 20 30 DEEDHN CNC(=O)CC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156620688 524055184 /nfs/dbraw/zinc/05/51/84/524055184.db2.gz RMRGMCGJGCZIAY-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)c1cnc(C)n1C ZINC001378931231 1152495183 /nfs/dbraw/zinc/49/51/83/1152495183.db2.gz ZPRQIUPKPCABRF-RISCZKNCSA-N 0 3 324.856 2.311 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@](C)(CO)C2CCCCC2)CC1 ZINC000331327283 526413920 /nfs/dbraw/zinc/41/39/20/526413920.db2.gz GATVYTZTILRGPQ-SFHVURJKSA-N 0 3 323.481 2.472 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000366793816 526429127 /nfs/dbraw/zinc/42/91/27/526429127.db2.gz HAZYVNZFCXEQEN-MRXNPFEDSA-N 0 3 321.465 2.095 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C)cc(N)c2)CC1 ZINC000417535617 526435176 /nfs/dbraw/zinc/43/51/76/526435176.db2.gz XAUTXZDPVDCCGN-UHFFFAOYSA-N 0 3 302.422 2.027 20 30 DEEDHN C=CCN1CCC(NCc2cc(C(=O)OC)c(CC)o2)CC1 ZINC000338946115 526451156 /nfs/dbraw/zinc/45/11/56/526451156.db2.gz YNEBOFGXXQBBPY-UHFFFAOYSA-N 0 3 306.406 2.369 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCCC(=O)OC(C)(C)C)C1=O ZINC000337278644 526469704 /nfs/dbraw/zinc/46/97/04/526469704.db2.gz SXRMXVMVVARCMR-CQSZACIVSA-N 0 3 310.438 2.217 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000372176050 526588429 /nfs/dbraw/zinc/58/84/29/526588429.db2.gz OJMAMTVPRDBCEH-JKSUJKDBSA-N 0 3 321.465 2.095 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000440151241 526593400 /nfs/dbraw/zinc/59/34/00/526593400.db2.gz AQOMGDYTEJFHBJ-HUUCEWRRSA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@H](O)C(C)C)CC1 ZINC000413231508 526594629 /nfs/dbraw/zinc/59/46/29/526594629.db2.gz FULYXXRZDBOPCE-HZPDHXFCSA-N 0 3 311.470 2.122 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000341698849 526598996 /nfs/dbraw/zinc/59/89/96/526598996.db2.gz NNMVKIWZOJVDJC-UHFFFAOYSA-N 0 3 312.364 2.357 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448552224 526633498 /nfs/dbraw/zinc/63/34/98/526633498.db2.gz PWYVUZUOTFMHBO-SJORKVTESA-N 0 3 315.461 2.131 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000371285627 526741059 /nfs/dbraw/zinc/74/10/59/526741059.db2.gz VDRBJHGGTBOKAB-DZFIZOCASA-N 0 3 314.429 2.216 20 30 DEEDHN C=CCOCCN(C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000339111518 526769794 /nfs/dbraw/zinc/76/97/94/526769794.db2.gz SHQUTCZEPWQUDN-UONOGXRCSA-N 0 3 313.442 2.190 20 30 DEEDHN C=CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000376921422 526779318 /nfs/dbraw/zinc/77/93/18/526779318.db2.gz VAHODMHMGIAZJK-WBVHZDCISA-N 0 3 317.433 2.151 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000296808863 526807540 /nfs/dbraw/zinc/80/75/40/526807540.db2.gz IOYWIKNKPWSJLH-UHFFFAOYSA-N 0 3 321.852 2.479 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1nc(C(C)(C)C)cs1 ZINC000296662906 526817748 /nfs/dbraw/zinc/81/77/48/526817748.db2.gz OROVNHYKEGLFRE-UHFFFAOYSA-N 0 3 322.478 2.195 20 30 DEEDHN C#CCN(C)CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000292740220 526829218 /nfs/dbraw/zinc/82/92/18/526829218.db2.gz IVHWGHBIEAPEPB-UHFFFAOYSA-N 0 3 316.283 2.376 20 30 DEEDHN CC(C)(C)n1cc(C(=O)NCCN2CCCC(C)(C)C2)nn1 ZINC000330990793 526909762 /nfs/dbraw/zinc/90/97/62/526909762.db2.gz SHRNVNKOMRNABC-UHFFFAOYSA-N 0 3 307.442 2.460 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000294408195 526945156 /nfs/dbraw/zinc/94/51/56/526945156.db2.gz IYAIGMLETINFCQ-UHFFFAOYSA-N 0 3 315.461 2.262 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000341445657 526954335 /nfs/dbraw/zinc/95/43/35/526954335.db2.gz CFKREXOFQOPSIA-AWEZNQCLSA-N 0 3 303.406 2.060 20 30 DEEDHN C=CCCC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188128805 527066832 /nfs/dbraw/zinc/06/68/32/527066832.db2.gz KUVBCHLVKZYEQB-GOSISDBHSA-N 0 3 302.418 2.048 20 30 DEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCNc1ccncc1 ZINC000413813708 527108867 /nfs/dbraw/zinc/10/88/67/527108867.db2.gz DQZQMUFMNBWJJS-SFHVURJKSA-N 0 3 324.428 2.402 20 30 DEEDHN C=CCCCCCCCCNCc1cn(CC(=O)OC)nn1 ZINC000295927879 527113814 /nfs/dbraw/zinc/11/38/14/527113814.db2.gz FKJGAJKMFUAVLW-UHFFFAOYSA-N 0 3 308.426 2.457 20 30 DEEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(=O)NCC#N ZINC000190703193 527233554 /nfs/dbraw/zinc/23/35/54/527233554.db2.gz NXMLRDUCZUPULU-UHFFFAOYSA-N 0 3 313.323 2.256 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248515772 527342042 /nfs/dbraw/zinc/34/20/42/527342042.db2.gz GJTBMMGKEISHKI-GZBFAFLISA-N 0 3 305.447 2.452 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000299271680 527398358 /nfs/dbraw/zinc/39/83/58/527398358.db2.gz KAMXBWMUVVUZQX-OAHLLOKOSA-N 0 3 320.433 2.224 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000378274562 527576531 /nfs/dbraw/zinc/57/65/31/527576531.db2.gz REMMYRHGSKOCLE-KBAYOESNSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429375888 527636545 /nfs/dbraw/zinc/63/65/45/527636545.db2.gz IEPRMBABVGVTEQ-JYJNAYRXSA-N 0 3 322.449 2.095 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1CCOCC1)C(C)C ZINC000194830200 527649182 /nfs/dbraw/zinc/64/91/82/527649182.db2.gz WZLINKDEWOLWBX-QGZVFWFLSA-N 0 3 323.481 2.411 20 30 DEEDHN CCN1C[C@@H](C)N(CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000331351118 527929822 /nfs/dbraw/zinc/92/98/22/527929822.db2.gz OBZPBJONFLVSOR-VXGBXAGGSA-N 0 3 318.421 2.121 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)c2sccc2C#N)CC1 ZINC000331028720 527955413 /nfs/dbraw/zinc/95/54/13/527955413.db2.gz DEJQRDCPBAQGJJ-UHFFFAOYSA-N 0 3 321.446 2.239 20 30 DEEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000455006099 535186724 /nfs/dbraw/zinc/18/67/24/535186724.db2.gz HEFOKEKFUMCAAT-MRXNPFEDSA-N 0 3 311.429 2.480 20 30 DEEDHN CN1CC[C@@H]2CN(Cc3ccc(C#N)cc3Br)C[C@@H]21 ZINC000451622382 536466596 /nfs/dbraw/zinc/46/65/96/536466596.db2.gz FVHCEQILKOEEGI-HIFRSBDPSA-N 0 3 320.234 2.457 20 30 DEEDHN COc1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)ccc1C#N ZINC000377859109 536767092 /nfs/dbraw/zinc/76/70/92/536767092.db2.gz FSLAWQXHCXMSMT-INIZCTEOSA-N 0 3 313.401 2.011 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001327509685 1148573999 /nfs/dbraw/zinc/57/39/99/1148573999.db2.gz XJKYJXMPJVTIIA-LJQANCHMSA-N 0 3 308.425 2.353 20 30 DEEDHN Cn1ccc([C@@H]2CCCN(C[C@H](O)c3cccc(C#N)c3)C2)n1 ZINC001414042188 1152546012 /nfs/dbraw/zinc/54/60/12/1152546012.db2.gz KJQFPIYXIYCUJS-AEFFLSMTSA-N 0 3 310.401 2.205 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H](NCc2cncs2)[C@@H](C)C1 ZINC001327840978 1148655393 /nfs/dbraw/zinc/65/53/93/1148655393.db2.gz DVUVRLHAYQZXKK-ZFWWWQNUSA-N 0 3 305.447 2.273 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001368808024 1148677572 /nfs/dbraw/zinc/67/75/72/1148677572.db2.gz SALCUBRJMKFGOT-GJZGRUSLSA-N 0 3 315.889 2.248 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)ns1 ZINC001379357892 1152614823 /nfs/dbraw/zinc/61/48/23/1152614823.db2.gz YJHUIKCXYHBCKZ-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN Cc1ccc(F)c(CNC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)c1 ZINC001379364347 1152615356 /nfs/dbraw/zinc/61/53/56/1152615356.db2.gz YDRKNNKZIWHHCL-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN CN1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941420 604496912 /nfs/dbraw/zinc/49/69/12/604496912.db2.gz ZGNACGSUKRSUED-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941420 604496913 /nfs/dbraw/zinc/49/69/13/604496913.db2.gz ZGNACGSUKRSUED-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@@H+]1CCC[C@@H]2CN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941420 604496915 /nfs/dbraw/zinc/49/69/15/604496915.db2.gz ZGNACGSUKRSUED-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@H+]1CCC[C@@H]2CN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941420 604496918 /nfs/dbraw/zinc/49/69/18/604496918.db2.gz ZGNACGSUKRSUED-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC000978648482 634384856 /nfs/dbraw/zinc/38/48/56/634384856.db2.gz BBCSMYZIYVBJND-ZSOGYDGISA-N 0 3 320.795 2.410 20 30 DEEDHN C=CC[C@@H](C)[C@H](C)[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000823888266 608280948 /nfs/dbraw/zinc/28/09/48/608280948.db2.gz ILYUIKUQBXEDEJ-OLZOCXBDSA-N 0 3 301.394 2.436 20 30 DEEDHN C=CC[C@@H](C)[C@H](C)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823888266 608280950 /nfs/dbraw/zinc/28/09/50/608280950.db2.gz ILYUIKUQBXEDEJ-OLZOCXBDSA-N 0 3 301.394 2.436 20 30 DEEDHN Cc1nsc(C)c1CNC1(CNC(=O)[C@@H](C)C#N)CCC1 ZINC001380853126 1152865900 /nfs/dbraw/zinc/86/59/00/1152865900.db2.gz QGTWXSDIVAXMIF-JTQLQIEISA-N 0 3 306.435 2.048 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2nc3cnccc3s2)C1 ZINC001023477742 625288692 /nfs/dbraw/zinc/28/86/92/625288692.db2.gz DRRVKDDOEJJSDU-LBPRGKRZSA-N 0 3 316.430 2.319 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cncs1 ZINC001025243537 625300317 /nfs/dbraw/zinc/30/03/17/625300317.db2.gz OIJLDGKFAYWBHB-HZPDHXFCSA-N 0 3 317.458 2.164 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3ncccc3o2)C1 ZINC001023493531 625297157 /nfs/dbraw/zinc/29/71/57/625297157.db2.gz XCKLJMAAFZUFKC-AWEZNQCLSA-N 0 3 311.385 2.293 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001023521882 625307479 /nfs/dbraw/zinc/30/74/79/625307479.db2.gz NJGREKKIHGUKJB-ZDUSSCGKSA-N 0 3 313.376 2.382 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C)c(F)c2F)C1 ZINC001023609248 625346935 /nfs/dbraw/zinc/34/69/35/625346935.db2.gz NIQXZAZPDIGSNG-CYBMUJFWSA-N 0 3 306.356 2.348 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3cnccc3n2)C1 ZINC001023616459 625352139 /nfs/dbraw/zinc/35/21/39/625352139.db2.gz XAIBGNGBBHDZKU-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(OC)c2C)C1 ZINC001023619512 625353504 /nfs/dbraw/zinc/35/35/04/625353504.db2.gz JQBWKSOKNDOGDA-INIZCTEOSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2snnc2C(C)C)C1 ZINC001023667390 625379224 /nfs/dbraw/zinc/37/92/24/625379224.db2.gz BIURBNGQIFNYLH-CYBMUJFWSA-N 0 3 320.462 2.127 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001023671017 625381649 /nfs/dbraw/zinc/38/16/49/625381649.db2.gz AQIUJWPFLWUUPK-OAHLLOKOSA-N 0 3 324.428 2.336 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ncoc2C(C)(C)C)C1 ZINC001023693530 625390832 /nfs/dbraw/zinc/39/08/32/625390832.db2.gz XCOHVHZWWYIBKE-CQSZACIVSA-N 0 3 317.433 2.437 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)sn2)C1 ZINC001025387762 625396401 /nfs/dbraw/zinc/39/64/01/625396401.db2.gz CMTFSAARVZRCIA-UONOGXRCSA-N 0 3 305.447 2.305 20 30 DEEDHN C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001025389922 625397933 /nfs/dbraw/zinc/39/79/33/625397933.db2.gz GQUGJDOQVKVPKA-CDBNLRSOSA-N 0 3 320.824 2.469 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(OCC)cc2)C1 ZINC001023725191 625401920 /nfs/dbraw/zinc/40/19/20/625401920.db2.gz KVMRJDQNCGRWIY-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(OC)ns2)C1 ZINC001025423374 625422153 /nfs/dbraw/zinc/42/21/53/625422153.db2.gz RPFWHZSLZUBIRO-CHWSQXEVSA-N 0 3 321.446 2.005 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(Cl)cnn2CC)C1 ZINC001025427750 625425914 /nfs/dbraw/zinc/42/59/14/625425914.db2.gz HELMHAUCERYWHO-QWHCGFSZSA-N 0 3 322.840 2.020 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3cccn3cn2)C1 ZINC001025453083 625447660 /nfs/dbraw/zinc/44/76/60/625447660.db2.gz PKOJGTYKEVSZOE-HZPDHXFCSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2[nH]c(C)cc2C)C1 ZINC001025457108 625449277 /nfs/dbraw/zinc/44/92/77/625449277.db2.gz AFKBYRSRFMMQOF-JKSUJKDBSA-N 0 3 301.434 2.485 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001025461902 625456032 /nfs/dbraw/zinc/45/60/32/625456032.db2.gz XWTVPTKQYAQTPI-HUUCEWRRSA-N 0 3 316.449 2.102 20 30 DEEDHN N#Cc1ccccc1CNC1CCC(NC(=O)C(F)F)CC1 ZINC001026437801 625460368 /nfs/dbraw/zinc/46/03/68/625460368.db2.gz RIOAHRWTEPJRFZ-UHFFFAOYSA-N 0 3 307.344 2.340 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(Cl)cn2C)C1 ZINC001025476740 625468277 /nfs/dbraw/zinc/46/82/77/625468277.db2.gz BXLJRRYMCHRNFZ-QWHCGFSZSA-N 0 3 307.825 2.142 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(COC)o2)C1 ZINC001025478071 625469790 /nfs/dbraw/zinc/46/97/90/625469790.db2.gz MNFXIKIOWUJUNP-LSDHHAIUSA-N 0 3 318.417 2.280 20 30 DEEDHN CCc1nc(CNC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001023894232 625471898 /nfs/dbraw/zinc/47/18/98/625471898.db2.gz 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DEEDHN C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001020549180 622794039 /nfs/dbraw/zinc/79/40/39/622794039.db2.gz SKVPNCFMSBYNRW-WXYCVUISSA-N 0 3 315.392 2.480 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000969638222 622859295 /nfs/dbraw/zinc/85/92/95/622859295.db2.gz XCNSULSJGPGYHH-GDBMZVCRSA-N 0 3 321.371 2.382 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(Cl)cnn2CC)C1 ZINC000969744848 622903457 /nfs/dbraw/zinc/90/34/57/622903457.db2.gz MUKSOPWLHAJTQJ-NSHDSACASA-N 0 3 310.829 2.183 20 30 DEEDHN C=C(Cl)CN1CC([C@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC000969797149 622924109 /nfs/dbraw/zinc/92/41/09/622924109.db2.gz NNFUCGKFAMCAMY-DZGCQCFKSA-N 0 3 313.873 2.050 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC000969824435 622934971 /nfs/dbraw/zinc/93/49/71/622934971.db2.gz CUSBKWAGIFBGJU-JTQLQIEISA-N 0 3 320.824 2.014 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3c2COCC3)C1 ZINC000969829367 622936878 /nfs/dbraw/zinc/93/68/78/622936878.db2.gz MFNBILIXMSRPCH-AWEZNQCLSA-N 0 3 314.429 2.386 20 30 DEEDHN C#C[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000890648810 622940478 /nfs/dbraw/zinc/94/04/78/622940478.db2.gz SCVJTZGRENNJBO-ROUUACIJSA-N 0 3 311.429 2.308 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c3cccnc23)C1 ZINC001025593177 625607705 /nfs/dbraw/zinc/60/77/05/625607705.db2.gz SYYBCYOIOVCQOB-CABCVRRESA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001025593751 625613641 /nfs/dbraw/zinc/61/36/41/625613641.db2.gz CGOUCWOXDDCXQB-ZBFHGGJFSA-N 0 3 316.449 2.236 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000970021556 623061143 /nfs/dbraw/zinc/06/11/43/623061143.db2.gz BDECETLUHPFFMK-LALPHHSUSA-N 0 3 303.431 2.356 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2CC)C1 ZINC000970052786 623080322 /nfs/dbraw/zinc/08/03/22/623080322.db2.gz YPWKQFJCGJREKJ-CYBMUJFWSA-N 0 3 302.393 2.462 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000970110331 623136998 /nfs/dbraw/zinc/13/69/98/623136998.db2.gz UPIBFVZURXFZMO-AWEZNQCLSA-N 0 3 311.429 2.034 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC000970123668 623149220 /nfs/dbraw/zinc/14/92/20/623149220.db2.gz NHLAUPAVFFXHMH-LSDHHAIUSA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001020885957 623175186 /nfs/dbraw/zinc/17/51/86/623175186.db2.gz FJTMDBPKBKJXPC-ZKCHVHJHSA-N 0 3 306.218 2.399 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001020911080 623185741 /nfs/dbraw/zinc/18/57/41/623185741.db2.gz KOGCMUCHAFRSFX-XYPYZODXSA-N 0 3 310.829 2.310 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001021090582 623336439 /nfs/dbraw/zinc/33/64/39/623336439.db2.gz ZZZTUWHPGQAKEL-XYPYZODXSA-N 0 3 313.854 2.237 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc3ncccc32)C1 ZINC000970238747 623349493 /nfs/dbraw/zinc/34/94/93/623349493.db2.gz 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C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)cc2OC)C1 ZINC000970767076 623668226 /nfs/dbraw/zinc/66/82/26/623668226.db2.gz PHSQUAIUBXYEBF-AWEZNQCLSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cccs2)C1 ZINC001021501688 623684735 /nfs/dbraw/zinc/68/47/35/623684735.db2.gz JGIWTDAHRFPZJN-GDBMZVCRSA-N 0 3 302.443 2.237 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2csnc2C)C1 ZINC001021556885 623751081 /nfs/dbraw/zinc/75/10/81/623751081.db2.gz CDKRPGDKOFPWEO-GDBMZVCRSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cncc3ccccc32)C[C@@H]1C ZINC000947411521 623756031 /nfs/dbraw/zinc/75/60/31/623756031.db2.gz IHWCRSLVUMBXBE-MAUKXSAKSA-N 0 3 321.424 2.380 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn3ccc(C)cc23)C[C@H]1C ZINC000947411600 623756578 /nfs/dbraw/zinc/75/65/78/623756578.db2.gz JHHNQWFQNZTLMO-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2snnc2C2CC2)C[C@H]1C ZINC000947411955 623757247 /nfs/dbraw/zinc/75/72/47/623757247.db2.gz LZOMRAXJHGAIJI-ZYHUDNBSSA-N 0 3 306.435 2.184 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC000970929202 623797865 /nfs/dbraw/zinc/79/78/65/623797865.db2.gz OSSJYBROTJBJRU-QGLTVNCISA-N 0 3 314.351 2.179 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC000970942232 623812774 /nfs/dbraw/zinc/81/27/74/623812774.db2.gz NDOFFLHKRSHZIU-OAHLLOKOSA-N 0 3 303.381 2.339 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970950838 623826382 /nfs/dbraw/zinc/82/63/82/623826382.db2.gz PTCPWSBAIIKZNN-CQSZACIVSA-N 0 3 307.344 2.246 20 30 DEEDHN C=CC(C)(C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000891270086 623842250 /nfs/dbraw/zinc/84/22/50/623842250.db2.gz XPRFOLNRCBHMSB-UHFFFAOYSA-N 0 3 301.434 2.280 20 30 DEEDHN COc1cccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000175944403 623869709 /nfs/dbraw/zinc/86/97/09/623869709.db2.gz HHTWUISZJCMIQT-XHDPSFHLSA-N 0 3 300.358 2.176 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH]ncc32)C1 ZINC001021649962 623902322 /nfs/dbraw/zinc/90/23/22/623902322.db2.gz WCKWWUSUEKVGHB-KSSFIOAISA-N 0 3 322.412 2.123 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000971001345 623904138 /nfs/dbraw/zinc/90/41/38/623904138.db2.gz YOZZGJXHRFZQOT-CQSZACIVSA-N 0 3 301.434 2.451 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001021654913 623907932 /nfs/dbraw/zinc/90/79/32/623907932.db2.gz IHSNJAHNTYOQNR-QXDIGNSFSA-N 0 3 300.446 2.369 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2occc2C)C1 ZINC001021664353 623919232 /nfs/dbraw/zinc/91/92/32/623919232.db2.gz AQTJCKHHYMDSNE-HOTGVXAUSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCc2nccs2)C1 ZINC001021742196 624027256 /nfs/dbraw/zinc/02/72/56/624027256.db2.gz KFVINAWSZQVLMP-HUUCEWRRSA-N 0 3 317.458 2.022 20 30 DEEDHN COCc1cccc(CN(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1 ZINC000971218931 624072772 /nfs/dbraw/zinc/07/27/72/624072772.db2.gz UTHRVSBVHWMHNN-YOEHRIQHSA-N 0 3 315.417 2.025 20 30 DEEDHN COCc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1 ZINC000971219975 624072791 /nfs/dbraw/zinc/07/27/91/624072791.db2.gz AGGBWUOCJOXWRS-WMLDXEAASA-N 0 3 315.417 2.025 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(F)F)ncn2)C[C@H]1C ZINC000947445373 624123837 /nfs/dbraw/zinc/12/38/37/624123837.db2.gz KZMKMOIEHBIOGK-GHMZBOCLSA-N 0 3 310.348 2.183 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)c1 ZINC001021941989 624143118 /nfs/dbraw/zinc/14/31/18/624143118.db2.gz TVSKSXMQXNAGPW-OKILXGFUSA-N 0 3 312.348 2.076 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(F)F)ncn2)C[C@H]1C ZINC000947446384 624145410 /nfs/dbraw/zinc/14/54/10/624145410.db2.gz VDNZUUNXRIDKRH-VXGBXAGGSA-N 0 3 322.359 2.020 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3c[nH]cc3C)CC2)C1 ZINC000949526198 624160785 /nfs/dbraw/zinc/16/07/85/624160785.db2.gz JADOVSCFUTZLFM-UHFFFAOYSA-N 0 3 317.433 2.206 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000971500875 624175802 /nfs/dbraw/zinc/17/58/02/624175802.db2.gz PLBKLPZXQDJXIQ-GJZGRUSLSA-N 0 3 319.355 2.246 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ncnc3sccc32)C1 ZINC000971562141 624187397 /nfs/dbraw/zinc/18/73/97/624187397.db2.gz CQJKNLZOVPNHRE-LLVKDONJSA-N 0 3 302.403 2.024 20 30 DEEDHN C=CCN1CC[C@H](N[C@](C)(CO)Cc2ccc(Cl)cc2)C1=O ZINC000933444184 624460784 /nfs/dbraw/zinc/46/07/84/624460784.db2.gz VNMVTZLEGKNIOC-RDJZCZTQSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC000998735034 634389444 /nfs/dbraw/zinc/38/94/44/634389444.db2.gz LQMPFIMKMJCGOY-RTBKNWGFSA-N 0 3 323.181 2.129 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001022370362 624620855 /nfs/dbraw/zinc/62/08/55/624620855.db2.gz HONLBLKHOSKIFN-TXEJJXNPSA-N 0 3 305.765 2.431 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC000971936614 624722105 /nfs/dbraw/zinc/72/21/05/624722105.db2.gz GVRGNLUKXMRVLV-ZBFHGGJFSA-N 0 3 318.392 2.096 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](OC)c2cccc(OC)c2)C1 ZINC000972015772 624774127 /nfs/dbraw/zinc/77/41/27/624774127.db2.gz FUEIVNGTJUIEMX-NVXWUHKLSA-N 0 3 318.417 2.101 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cn(C)nc2C2CC2)C1 ZINC000998837229 634415193 /nfs/dbraw/zinc/41/51/93/634415193.db2.gz AKARFTSOJOVQHI-UHFFFAOYSA-N 0 3 322.840 2.243 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cn2cnc3ccc(C)cc32)C1 ZINC000972161356 624874351 /nfs/dbraw/zinc/87/43/51/624874351.db2.gz BEXHUIGNGNEITM-OAHLLOKOSA-N 0 3 312.417 2.063 20 30 DEEDHN C#C[C@H]1CCCCN1C[C@@H](O)COCc1cccc(OC)c1 ZINC000934510473 624899241 /nfs/dbraw/zinc/89/92/41/624899241.db2.gz WTYBCTTZSPHYGM-DLBZAZTESA-N 0 3 303.402 2.060 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](N(C)CCn3cccn3)C2)CC1 ZINC000972238771 624900882 /nfs/dbraw/zinc/90/08/82/624900882.db2.gz OQEQLQQLQGMFGO-KRWDZBQOSA-N 0 3 316.449 2.162 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC000972246603 624902117 /nfs/dbraw/zinc/90/21/17/624902117.db2.gz PUQJDJRVERRBPE-NVXWUHKLSA-N 0 3 304.438 2.018 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COc2cccc(CC)c2)C1 ZINC001027673283 634427511 /nfs/dbraw/zinc/42/75/11/634427511.db2.gz QHTDKTIGJHIHOP-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001022852277 625027681 /nfs/dbraw/zinc/02/76/81/625027681.db2.gz BNVKPWGSKUUSQB-TVYUQYBPSA-N 0 3 311.813 2.384 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024768687 625048247 /nfs/dbraw/zinc/04/82/47/625048247.db2.gz UWHTZINFGAQBBT-CQSZACIVSA-N 0 3 305.809 2.343 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(F)ccc3Cl)[C@@H]2C1 ZINC000978806710 634425427 /nfs/dbraw/zinc/42/54/27/634425427.db2.gz LECCLMXBILCVAF-QKDCVEJESA-N 0 3 320.795 2.410 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001025981276 625101869 /nfs/dbraw/zinc/10/18/69/625101869.db2.gz SKRACPTXNLTLFA-OBPIAQAESA-N 0 3 302.340 2.197 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)C[C@@H]1C ZINC000947539558 625152599 /nfs/dbraw/zinc/15/25/99/625152599.db2.gz CLOMSBDYIBUMEL-RYUDHWBXSA-N 0 3 315.373 2.302 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001007780081 625171599 /nfs/dbraw/zinc/17/15/99/625171599.db2.gz DXNZXGZMYXXPKH-NSHDSACASA-N 0 3 308.813 2.321 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000947662167 625172681 /nfs/dbraw/zinc/17/26/81/625172681.db2.gz FQQUQDPEOQBAMN-HIFRSBDPSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CN(CC2CCC2)CCO3)C1 ZINC000972541994 625211503 /nfs/dbraw/zinc/21/15/03/625211503.db2.gz DNANFFMGXYIMMS-IBGZPJMESA-N 0 3 318.461 2.446 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)noc2CCC)C1 ZINC001023365648 625240545 /nfs/dbraw/zinc/24/05/45/625240545.db2.gz ICHIKHFVPRCCIF-HNNXBMFYSA-N 0 3 317.433 2.401 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001023368137 625240855 /nfs/dbraw/zinc/24/08/55/625240855.db2.gz HNZGYKKTDCMDDL-OAHLLOKOSA-N 0 3 315.417 2.011 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000972557660 625245363 /nfs/dbraw/zinc/24/53/63/625245363.db2.gz HREUACYGPMSGEW-KRWDZBQOSA-N 0 3 310.401 2.205 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2conc2C(C)C)C1 ZINC001023413450 625259179 /nfs/dbraw/zinc/25/91/79/625259179.db2.gz FZRSDLGQHHZPGD-AWEZNQCLSA-N 0 3 303.406 2.263 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnsn1 ZINC001025207192 625269491 /nfs/dbraw/zinc/26/94/91/625269491.db2.gz FSSQLQAMHHEUPO-ZIAGYGMSSA-N 0 3 306.435 2.183 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnccc1C ZINC001025215205 625274758 /nfs/dbraw/zinc/27/47/58/625274758.db2.gz JPNFHXFWACRRTP-ZWKOTPCHSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cccnc1 ZINC001025221700 625279272 /nfs/dbraw/zinc/27/92/72/625279272.db2.gz OVBHEWJELHCNTA-MSOLQXFVSA-N 0 3 311.429 2.103 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001026747197 625720524 /nfs/dbraw/zinc/72/05/24/625720524.db2.gz FCKPJXOBTARFDH-PTZVLDCSSA-N 0 3 309.413 2.463 20 30 DEEDHN COc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000175110631 625777022 /nfs/dbraw/zinc/77/70/22/625777022.db2.gz NNVJHFFZAKJZBE-IAQYHMDHSA-N 0 3 300.358 2.176 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001024468872 625796344 /nfs/dbraw/zinc/79/63/44/625796344.db2.gz SHCVTWYIKKZUQA-INIZCTEOSA-N 0 3 315.417 2.088 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4ccn(C)c4c3)[C@@H]2C1 ZINC000978926384 634452227 /nfs/dbraw/zinc/45/22/27/634452227.db2.gz BJDQHDDZROVFOO-NNZMDNLPSA-N 0 3 321.424 2.109 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001024475558 625805449 /nfs/dbraw/zinc/80/54/49/625805449.db2.gz RMRCJUGYLKJUJK-HNNXBMFYSA-N 0 3 317.433 2.248 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001024475468 625806079 /nfs/dbraw/zinc/80/60/79/625806079.db2.gz PBHJKWWXBVNYHW-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001027699450 634453546 /nfs/dbraw/zinc/45/35/46/634453546.db2.gz CWCUDJMOCRCJQK-YLJYHZDGSA-N 0 3 310.441 2.447 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC001027699592 634454023 /nfs/dbraw/zinc/45/40/23/634454023.db2.gz GGBJHQQOGNZQDG-IAGOWNOFSA-N 0 3 318.392 2.069 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001024527483 625843080 /nfs/dbraw/zinc/84/30/80/625843080.db2.gz UDAYYFBQWJXVEP-CYBMUJFWSA-N 0 3 302.422 2.059 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001024528485 625844501 /nfs/dbraw/zinc/84/45/01/625844501.db2.gz JRXDOVPYHKKQFV-OAHLLOKOSA-N 0 3 324.428 2.479 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)cc(=O)oc1C ZINC001024541531 625859904 /nfs/dbraw/zinc/85/99/04/625859904.db2.gz MLAODWRDXLONDL-HNNXBMFYSA-N 0 3 318.417 2.417 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4c(C)cccn4c3)[C@@H]2C1 ZINC000978939587 634458972 /nfs/dbraw/zinc/45/89/72/634458972.db2.gz IJRNDSBQWWIFKQ-NNZMDNLPSA-N 0 3 321.424 2.179 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001024553226 625872448 /nfs/dbraw/zinc/87/24/48/625872448.db2.gz VVTULTZLIUWVQU-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001024556952 625876706 /nfs/dbraw/zinc/87/67/06/625876706.db2.gz JERJWPVNIQEJBZ-HNNXBMFYSA-N 0 3 303.406 2.120 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001024574528 625897186 /nfs/dbraw/zinc/89/71/86/625897186.db2.gz ADBDCAOTZXIFEM-OAHLLOKOSA-N 0 3 300.402 2.376 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001024674973 625961573 /nfs/dbraw/zinc/96/15/73/625961573.db2.gz FIBNCEJZTNRFPH-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccn3nccc23)C1 ZINC000999048565 634470004 /nfs/dbraw/zinc/47/00/04/634470004.db2.gz RMBHPQIWHSJLOM-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C3CCC3)[C@@H]2C1 ZINC000979052246 634491337 /nfs/dbraw/zinc/49/13/37/634491337.db2.gz YLUPVAKLSOMIFJ-LDLYASANSA-N 0 3 308.425 2.495 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(N[C@H](C)c3n[nH]c(C)n3)C2)C1 ZINC000999375383 634572134 /nfs/dbraw/zinc/57/21/34/634572134.db2.gz SMDASMHGIJDSAG-LMWSTFAQSA-N 0 3 317.437 2.109 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000999537956 634622234 /nfs/dbraw/zinc/62/22/34/634622234.db2.gz GSMQNQFNEIYJDW-WUCCLRPBSA-N 0 3 312.841 2.299 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC23CCOCC3)C1 ZINC000999933301 634711226 /nfs/dbraw/zinc/71/12/26/634711226.db2.gz GXEKXDCNRPITCY-JXQTWKCFSA-N 0 3 312.841 2.135 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3sccc3F)CC2)CC1 ZINC001000143564 634765842 /nfs/dbraw/zinc/76/58/42/634765842.db2.gz QBPMIDOMFYTRHS-UHFFFAOYSA-N 0 3 306.406 2.495 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccns3)CC2)CC1 ZINC001000173475 634777578 /nfs/dbraw/zinc/77/75/78/634777578.db2.gz ZEZUZODUTURZJO-UHFFFAOYSA-N 0 3 303.431 2.141 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cc(F)c[nH]3)CC2)CC1 ZINC001000209187 634791943 /nfs/dbraw/zinc/79/19/43/634791943.db2.gz HJDIWQPXODSZCC-UHFFFAOYSA-N 0 3 303.381 2.152 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C)c(C)cn3)CC2)CC1 ZINC001000219101 634798863 /nfs/dbraw/zinc/79/88/63/634798863.db2.gz KSYMYSNMFPFOTL-UHFFFAOYSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCC[C@H]1SCC ZINC000836341506 650081143 /nfs/dbraw/zinc/08/11/43/650081143.db2.gz PSMACDOOMRITTB-LSDHHAIUSA-N 0 3 311.495 2.305 20 30 DEEDHN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001024692572 632924288 /nfs/dbraw/zinc/92/42/88/632924288.db2.gz OYFHFPNRIZETPJ-ZWKOTPCHSA-N 0 3 319.493 2.243 20 30 DEEDHN Cc1ncc(CN[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)s1 ZINC000995778023 633116499 /nfs/dbraw/zinc/11/64/99/633116499.db2.gz PULTVMUIWXQNIV-HNNXBMFYSA-N 0 3 317.458 2.192 20 30 DEEDHN Cc1ncsc1CN[C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995800490 633119409 /nfs/dbraw/zinc/11/94/09/633119409.db2.gz YSDKESCUNQZZCX-OAHLLOKOSA-N 0 3 317.458 2.192 20 30 DEEDHN Cc1nc(C(=O)N2CC[C@H](CNCc3ccccc3C#N)C2)co1 ZINC001026795245 633127197 /nfs/dbraw/zinc/12/71/97/633127197.db2.gz BYGRKBJEJICAOP-CQSZACIVSA-N 0 3 324.384 2.107 20 30 DEEDHN CCc1nc(CNC[C@@H]2CCN(C(=O)C#CC3CC3)C2)cs1 ZINC001026835470 633168554 /nfs/dbraw/zinc/16/85/54/633168554.db2.gz XXGAPYOGRPBTDE-AWEZNQCLSA-N 0 3 317.458 2.057 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996396318 633253096 /nfs/dbraw/zinc/25/30/96/633253096.db2.gz VNJFPBDFUQCKIZ-KKUMJFAQSA-N 0 3 312.429 2.154 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(COC)c2)C(C)(C)C1 ZINC000974778503 633301563 /nfs/dbraw/zinc/30/15/63/633301563.db2.gz CAVAIHTUVKRRDS-QGZVFWFLSA-N 0 3 314.429 2.297 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C(C)(C)C1 ZINC000974804287 633308064 /nfs/dbraw/zinc/30/80/64/633308064.db2.gz FPHWUSHXPZCSEW-DAYGRLMNSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000996635461 633324550 /nfs/dbraw/zinc/32/45/50/633324550.db2.gz WEFZZWNLNYHIIT-UHFFFAOYSA-N 0 3 312.211 2.118 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001027040569 633372807 /nfs/dbraw/zinc/37/28/07/633372807.db2.gz GELJLVSPJZWONU-SWLSCSKDSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2occc2CN(C)C)C(C)(C)C1 ZINC000974968911 633380865 /nfs/dbraw/zinc/38/08/65/633380865.db2.gz BYHSNRHJUZAHDR-HNNXBMFYSA-N 0 3 319.449 2.358 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCCC2)c(C)c1 ZINC000124517628 633389193 /nfs/dbraw/zinc/38/91/93/633389193.db2.gz JBRGEGUMEQPOIZ-AWEZNQCLSA-N 0 3 300.358 2.014 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000124987268 633471610 /nfs/dbraw/zinc/47/16/10/633471610.db2.gz JJGQXQYOBTWYLI-DZGCQCFKSA-N 0 3 302.374 2.042 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CC[C@H](C)F)C1 ZINC001015969522 633480147 /nfs/dbraw/zinc/48/01/47/633480147.db2.gz VQPYPWHDAFOXGZ-UONOGXRCSA-N 0 3 321.396 2.199 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@H](F)CC)CC1 ZINC000996883614 633495078 /nfs/dbraw/zinc/49/50/78/633495078.db2.gz TXZXGSNIFPSHIL-LLVKDONJSA-N 0 3 307.207 2.224 20 30 DEEDHN COc1cccc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000125184798 633514799 /nfs/dbraw/zinc/51/47/99/633514799.db2.gz OFYXQTQPBLVGBV-HNNXBMFYSA-N 0 3 323.352 2.370 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ocnc2C2CC2)CC1 ZINC000997299128 633699530 /nfs/dbraw/zinc/69/95/30/633699530.db2.gz WZFSQIYPOFEHOS-GFCCVEGCSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C)[nH]c2C)CC1 ZINC000997322475 633700267 /nfs/dbraw/zinc/70/02/67/633700267.db2.gz BAYPNCHRMTVMNB-CQSZACIVSA-N 0 3 301.434 2.485 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnn(CC(C)C)c2)CC1 ZINC000997367911 633718530 /nfs/dbraw/zinc/71/85/30/633718530.db2.gz NFSZYWCBPLMOOW-OAHLLOKOSA-N 0 3 316.449 2.003 20 30 DEEDHN Cc1cccc(OC[C@H](O)CNCc2csc(C#N)c2)c1 ZINC000921596863 633743681 /nfs/dbraw/zinc/74/36/81/633743681.db2.gz NYQDQGLQJJYSCT-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027407660 633745441 /nfs/dbraw/zinc/74/54/41/633745441.db2.gz WBCUUUJOMOXMFO-INIZCTEOSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001027410165 633749348 /nfs/dbraw/zinc/74/93/48/633749348.db2.gz UMBOOOPRQACFGW-HNNXBMFYSA-N 0 3 316.449 2.116 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnoc2C2CC2)CC1 ZINC000997373709 633749517 /nfs/dbraw/zinc/74/95/17/633749517.db2.gz UFDFWDQUXRYQSB-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001027443540 633793904 /nfs/dbraw/zinc/79/39/04/633793904.db2.gz MRWANDZCCXGWEL-OAHLLOKOSA-N 0 3 323.396 2.110 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1 ZINC001027449674 633803082 /nfs/dbraw/zinc/80/30/82/633803082.db2.gz CTPLANHYEAJWQF-AWEZNQCLSA-N 0 3 303.406 2.276 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001027472877 633856215 /nfs/dbraw/zinc/85/62/15/633856215.db2.gz ZOHWEWWCKUFZDC-ZBFHGGJFSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccnc2C(F)F)C1 ZINC001027488321 633877897 /nfs/dbraw/zinc/87/78/97/633877897.db2.gz REZCVLRHWQYREZ-GFCCVEGCSA-N 0 3 307.344 2.189 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001027494803 633888416 /nfs/dbraw/zinc/88/84/16/633888416.db2.gz KLIBEBDLMSGLRW-GOEBONIOSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)noc2C2CC2)C1 ZINC001027495522 633890627 /nfs/dbraw/zinc/89/06/27/633890627.db2.gz YQQKHFLXESZMMJ-CQSZACIVSA-N 0 3 301.390 2.030 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnc3ccsc3c2)C1 ZINC001027523526 633993915 /nfs/dbraw/zinc/99/39/15/633993915.db2.gz IPLRZJKGYQQESK-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC[C@@H](C)F)CC2(C)C)nc1 ZINC000977519366 634015489 /nfs/dbraw/zinc/01/54/89/634015489.db2.gz YGUHDYAUKOBNNK-CJNGLKHVSA-N 0 3 317.408 2.251 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977510298 634021524 /nfs/dbraw/zinc/02/15/24/634021524.db2.gz CLCCXKLLCKFFEJ-RDJZCZTQSA-N 0 3 313.445 2.199 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccccc2OC)C(C)(C)C1 ZINC000977565246 634049131 /nfs/dbraw/zinc/04/91/31/634049131.db2.gz KDKAUNSPEQBCQY-QGZVFWFLSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C(C)(C)C1 ZINC000977651117 634082798 /nfs/dbraw/zinc/08/27/98/634082798.db2.gz FAFVWJVOBZAEHU-PHPOFCCKSA-N 0 3 300.446 2.128 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccsn2)CC1 ZINC000998039003 634119885 /nfs/dbraw/zinc/11/98/85/634119885.db2.gz ZWTBRXUQXCBDCF-AWEZNQCLSA-N 0 3 305.447 2.483 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccnnc2C)CC1 ZINC000998050729 634123068 /nfs/dbraw/zinc/12/30/68/634123068.db2.gz NQTRXHXYTAOYJM-INIZCTEOSA-N 0 3 314.433 2.125 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccn3ccnc23)CC1 ZINC000998149246 634154905 /nfs/dbraw/zinc/15/49/05/634154905.db2.gz IIDAAPLEZCSVOL-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC000998173520 634160537 /nfs/dbraw/zinc/16/05/37/634160537.db2.gz LOSVUYXSDWYDGS-INIZCTEOSA-N 0 3 313.445 2.453 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cn3ccccc3n2)CC1 ZINC000998191589 634164553 /nfs/dbraw/zinc/16/45/53/634164553.db2.gz XWOUIYIURGMAQL-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccco2)CC[C@@H]1C(F)(F)F ZINC000998212948 634170192 /nfs/dbraw/zinc/17/01/92/634170192.db2.gz ALOABTWJGFDVJR-WDEREUQCSA-N 0 3 302.296 2.448 20 30 DEEDHN CC(F)(F)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000998369563 634238350 /nfs/dbraw/zinc/23/83/50/634238350.db2.gz WIHVHWWIPPZHDT-SNVBAGLBSA-N 0 3 313.373 2.356 20 30 DEEDHN C=CCn1cccc1C(=O)NCC1[C@H]2CN(C/C=C\Cl)C[C@@H]12 ZINC000978270209 634264348 /nfs/dbraw/zinc/26/43/48/634264348.db2.gz LYRLJOISEGMTQH-AQJOZUBFSA-N 0 3 319.836 2.334 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(C)C)n3)[C@@H]2C1 ZINC000978423973 634313430 /nfs/dbraw/zinc/31/34/30/634313430.db2.gz GBNUJTGFCRCPCH-PHZGNYQRSA-N 0 3 311.429 2.136 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccco4)o3)[C@@H]2C1 ZINC000978485672 634327212 /nfs/dbraw/zinc/32/72/12/634327212.db2.gz OKINAZDQPBSYHT-QKDCVEJESA-N 0 3 324.380 2.471 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001027883320 634860213 /nfs/dbraw/zinc/86/02/13/634860213.db2.gz JOUTXUFSTUJUKB-ZBFHGGJFSA-N 0 3 318.392 2.143 20 30 DEEDHN C[C@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)C(F)F ZINC000980278430 634927715 /nfs/dbraw/zinc/92/77/15/634927715.db2.gz GUCLTDFARKOOOI-RYUDHWBXSA-N 0 3 307.344 2.150 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001027912202 634942487 /nfs/dbraw/zinc/94/24/87/634942487.db2.gz KKNANDZXUQBQGD-INIZCTEOSA-N 0 3 314.433 2.216 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001027938257 635013057 /nfs/dbraw/zinc/01/30/57/635013057.db2.gz WNEGWHCVAZNRHM-RDJZCZTQSA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(c3ccccc3OC)CC2)C1 ZINC000980551349 635040890 /nfs/dbraw/zinc/04/08/90/635040890.db2.gz ZIVAOECFGMIXKB-HNNXBMFYSA-N 0 3 314.429 2.446 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001027968567 635114369 /nfs/dbraw/zinc/11/43/69/635114369.db2.gz VIUQNAGAXHQZLT-GJZGRUSLSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccsc1COC ZINC001027969587 635116649 /nfs/dbraw/zinc/11/66/49/635116649.db2.gz QGIPBGXWDCZEFL-ZDUSSCGKSA-N 0 3 306.431 2.112 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC001000293303 635131927 /nfs/dbraw/zinc/13/19/27/635131927.db2.gz CAQLUXWFGWEKEK-HOTGVXAUSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)CC1 ZINC001000289193 635133474 /nfs/dbraw/zinc/13/34/74/635133474.db2.gz JVBHCVBEVRBINB-DLBZAZTESA-N 0 3 300.446 2.417 20 30 DEEDHN CC1(C)CCN(CCNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000890076318 635161700 /nfs/dbraw/zinc/16/17/00/635161700.db2.gz SDNGCJNHOAFQSL-UHFFFAOYSA-N 0 3 317.458 2.498 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001028009150 635237276 /nfs/dbraw/zinc/23/72/76/635237276.db2.gz JGNDNMYUSKZVHD-JKSUJKDBSA-N 0 3 300.402 2.004 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC001028009998 635241547 /nfs/dbraw/zinc/24/15/47/635241547.db2.gz RFQVDBKGTWDVMD-SFHVURJKSA-N 0 3 322.412 2.090 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001028025153 635284591 /nfs/dbraw/zinc/28/45/91/635284591.db2.gz CFRVNWJTXREUDB-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(CC)ncnc2CC)C[C@@H]1C ZINC000947726187 635291250 /nfs/dbraw/zinc/29/12/50/635291250.db2.gz KDHNLUXJDQIWLP-KBPBESRZSA-N 0 3 316.449 2.370 20 30 DEEDHN C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC000981103412 635316585 /nfs/dbraw/zinc/31/65/85/635316585.db2.gz BDVMUKJCDLFTSM-QWHCGFSZSA-N 0 3 313.405 2.165 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2c(Cl)cnn2C)CC1 ZINC000981174137 635351114 /nfs/dbraw/zinc/35/11/14/635351114.db2.gz PAZZODIUMQFOLU-UHFFFAOYSA-N 0 3 310.829 2.188 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccncc2OC(C)C)CC1 ZINC001001002478 635376384 /nfs/dbraw/zinc/37/63/84/635376384.db2.gz SBWLFAMWQUWQCM-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccnc(OCC)c2)CC1 ZINC001001138152 635407092 /nfs/dbraw/zinc/40/70/92/635407092.db2.gz XYACKCZHBIBIQB-UHFFFAOYSA-N 0 3 301.390 2.028 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H](NC(=O)c2cnco2)C1 ZINC000981255618 635407329 /nfs/dbraw/zinc/40/73/29/635407329.db2.gz YUNWCVGZXBSXKO-CVEARBPZSA-N 0 3 324.384 2.377 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(C)nc2OCC)CC1 ZINC001001323291 635463809 /nfs/dbraw/zinc/46/38/09/635463809.db2.gz DFUHJROEAMPNFB-UHFFFAOYSA-N 0 3 315.417 2.337 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001001337875 635467353 /nfs/dbraw/zinc/46/73/53/635467353.db2.gz JOWYSWIQJPWFIV-DLBZAZTESA-N 0 3 306.450 2.372 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC000981480170 635493701 /nfs/dbraw/zinc/49/37/01/635493701.db2.gz HAVCMMBHHJUSIX-UHFFFAOYSA-N 0 3 316.449 2.462 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc(COC)c2)CC1 ZINC001001599542 635530245 /nfs/dbraw/zinc/53/02/45/635530245.db2.gz BMRIIZKNTUKYMR-UHFFFAOYSA-N 0 3 314.429 2.298 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC001001619954 635532834 /nfs/dbraw/zinc/53/28/34/635532834.db2.gz MUZMQFHSQMFBMB-UHFFFAOYSA-N 0 3 317.433 2.437 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc3cccnc3c2)CC1 ZINC001001953049 635582411 /nfs/dbraw/zinc/58/24/11/635582411.db2.gz QMFPHUDAOWYJAA-UHFFFAOYSA-N 0 3 307.397 2.310 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCN(C[C@@H](CC)OC)CC2)cc1 ZINC000981730341 635617898 /nfs/dbraw/zinc/61/78/98/635617898.db2.gz BVHCESZAGYCWIS-GOSISDBHSA-N 0 3 314.429 2.241 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(F)cc2F)CC1 ZINC001002102099 635619076 /nfs/dbraw/zinc/61/90/76/635619076.db2.gz IHHSTZGSBLWVEM-UHFFFAOYSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2sc(C)nc2C)CC1 ZINC001002107351 635619920 /nfs/dbraw/zinc/61/99/20/635619920.db2.gz NTEBICRUZJBXBB-UHFFFAOYSA-N 0 3 305.447 2.225 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c(Cl)cccc2OC)CC1 ZINC001002145150 635627339 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ZINC001028143298 635695785 /nfs/dbraw/zinc/69/57/85/635695785.db2.gz CRBBAMLUTIZNHN-MRXNPFEDSA-N 0 3 311.429 2.485 20 30 DEEDHN C[C@](C#N)(NC(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)C1CC1 ZINC000585159112 635718456 /nfs/dbraw/zinc/71/84/56/635718456.db2.gz YSVZYOVBKSUOIL-MAPLJDINSA-N 0 3 301.434 2.163 20 30 DEEDHN C#CCN(C(=O)N[C@@H](CC)CC(F)(F)F)C1CCN(C)CC1 ZINC000921971665 635774817 /nfs/dbraw/zinc/77/48/17/635774817.db2.gz QFHKKNHOONAXND-LBPRGKRZSA-N 0 3 319.371 2.456 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1csc2cncn21 ZINC001028176493 635774972 /nfs/dbraw/zinc/77/49/72/635774972.db2.gz GUYLNYFAUSDWLC-LBPRGKRZSA-N 0 3 304.419 2.166 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001028189406 635795774 /nfs/dbraw/zinc/79/57/74/635795774.db2.gz XPZMSQDOIOPSKZ-CQSZACIVSA-N 0 3 301.390 2.078 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001028201812 635815307 /nfs/dbraw/zinc/81/53/07/635815307.db2.gz NOJLCSOXGGQUTF-KRWDZBQOSA-N 0 3 310.401 2.457 20 30 DEEDHN 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C#Cc1ccc(C(=O)N2CC[C@H](NCc3ccccn3)[C@@H]2C)cc1 ZINC000986639102 639963354 /nfs/dbraw/zinc/96/33/54/639963354.db2.gz ZAPBYWZJYNVXOS-KXBFYZLASA-N 0 3 319.408 2.456 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(C)(C)[C@H]2CCCCO2)CC1 ZINC000758660001 639983672 /nfs/dbraw/zinc/98/36/72/639983672.db2.gz QIARGOZTDUCACS-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000759429893 640063966 /nfs/dbraw/zinc/06/39/66/640063966.db2.gz CFFNNBLFRPXVQO-GXFFZTMASA-N 0 3 306.749 2.118 20 30 DEEDHN CN(C)C[C@@H]1CN(C(=O)C#Cc2ccccc2)c2ccccc2O1 ZINC000760996736 640252492 /nfs/dbraw/zinc/25/24/92/640252492.db2.gz MMTOXZGXEFNZAS-QGZVFWFLSA-N 0 3 320.392 2.394 20 30 DEEDHN CCO[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000761063821 640260957 /nfs/dbraw/zinc/26/09/57/640260957.db2.gz BQALMXJPZJCIFJ-TZMCWYRMSA-N 0 3 303.362 2.180 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cncnc1 ZINC000761100810 640270038 /nfs/dbraw/zinc/27/00/38/640270038.db2.gz SRBLTEQABHQWSH-LBPRGKRZSA-N 0 3 300.705 2.091 20 30 DEEDHN Cc1ccc(CN[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)c(C)n1 ZINC000988824869 640669560 /nfs/dbraw/zinc/66/95/60/640669560.db2.gz JDQMXKVUULDLKY-KSSFIOAISA-N 0 3 311.429 2.191 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(Cl)nc2)CN1C(=O)C#CC1CC1 ZINC000988827245 640674673 /nfs/dbraw/zinc/67/46/73/640674673.db2.gz QZEMPMZZRYYBFY-DOMZBBRYSA-N 0 3 317.820 2.227 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2nc(C(C)(C)C)cs2)C1 ZINC000988988252 640702701 /nfs/dbraw/zinc/70/27/01/640702701.db2.gz BUOFKXSLYBSGRN-NEPJUHHUSA-N 0 3 305.447 2.266 20 30 DEEDHN C#Cc1cccc(CNC(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000841913189 650600717 /nfs/dbraw/zinc/60/07/17/650600717.db2.gz KLKQEQHCRZRMNJ-LJQANCHMSA-N 0 3 319.408 2.354 20 30 DEEDHN Cc1cc(CN2CCN(CC3CCC(C#N)CC3)CC2)on1 ZINC000929102173 640737233 /nfs/dbraw/zinc/73/72/33/640737233.db2.gz JUDIVIDVUDDYCX-UHFFFAOYSA-N 0 3 302.422 2.431 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cccc(C)c2Cl)C1 ZINC000989168989 640741385 /nfs/dbraw/zinc/74/13/85/640741385.db2.gz FAEJNSYVXWYQEU-ZFWWWQNUSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000765205810 640751708 /nfs/dbraw/zinc/75/17/08/640751708.db2.gz OWQPZKRUQOAXDH-KRWDZBQOSA-N 0 3 312.413 2.445 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c3cccnc23)C1 ZINC000989220929 640756870 /nfs/dbraw/zinc/75/68/70/640756870.db2.gz UMKMMUKRLNKETM-GJZGRUSLSA-N 0 3 307.397 2.369 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1 ZINC000765246253 640757050 /nfs/dbraw/zinc/75/70/50/640757050.db2.gz ZQLZNMOLJUCZGC-KXBFYZLASA-N 0 3 319.408 2.313 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cccc(OC)c3o2)C1 ZINC000989384242 640834349 /nfs/dbraw/zinc/83/43/49/640834349.db2.gz MQRHJBWKESGSTA-JSGCOSHPSA-N 0 3 312.369 2.267 20 30 DEEDHN COCCO[C@]12CCC[C@@]1(NCc1cccc(C#N)c1)CCO2 ZINC000898001128 640989323 /nfs/dbraw/zinc/98/93/23/640989323.db2.gz KFJXPSNNJSDAMZ-QZTJIDSGSA-N 0 3 316.401 2.350 20 30 DEEDHN C=CCCCN(CC)Cc1ccc(S(N)(=O)=O)cc1F ZINC000898244848 641062934 /nfs/dbraw/zinc/06/29/34/641062934.db2.gz SBTGCAXPTAPKPZ-UHFFFAOYSA-N 0 3 300.399 2.261 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC000989718650 641207607 /nfs/dbraw/zinc/20/76/07/641207607.db2.gz NORCGZWUXYDLIR-DOTOQJQBSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCn2ccc3ccccc32)C1 ZINC000989767018 641221262 /nfs/dbraw/zinc/22/12/62/641221262.db2.gz YRBDKJJWZJYNEI-WBVHZDCISA-N 0 3 309.413 2.244 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000989752369 641222073 /nfs/dbraw/zinc/22/20/73/641222073.db2.gz LVJAXLWCPQRKCC-HOCLYGCPSA-N 0 3 309.413 2.313 20 30 DEEDHN C=C(C)CON=C(N)CCN1CCN(Cc2ccccc2)CC1 ZINC000771652469 641536277 /nfs/dbraw/zinc/53/62/77/641536277.db2.gz MHBNCVRCZFQQPY-UHFFFAOYSA-N 0 3 316.449 2.269 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 ZINC000773036193 641720246 /nfs/dbraw/zinc/72/02/46/641720246.db2.gz XYCROBJRFRDMQC-KKBFJZEXSA-N 0 3 312.413 2.359 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@](C)(C#N)C2)cc1 ZINC000898982124 641882538 /nfs/dbraw/zinc/88/25/38/641882538.db2.gz YVRCHSYZOZJYFT-AEFFLSMTSA-N 0 3 315.417 2.496 20 30 DEEDHN C=CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104681 641936327 /nfs/dbraw/zinc/93/63/27/641936327.db2.gz SCOPGDCDQUHAPE-INIZCTEOSA-N 0 3 304.438 2.183 20 30 DEEDHN C#CCOCCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842319659 650706653 /nfs/dbraw/zinc/70/66/53/650706653.db2.gz DZACTWMPDJMYJR-UHFFFAOYSA-N 0 3 301.386 2.479 20 30 DEEDHN COC(=O)C[C@]1(NCc2ccc(C#N)c(C)c2)CCCOC1 ZINC000775072906 642003506 /nfs/dbraw/zinc/00/35/06/642003506.db2.gz GYLONBAYLUKLOA-QGZVFWFLSA-N 0 3 302.374 2.069 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000842342447 650714101 /nfs/dbraw/zinc/71/41/01/650714101.db2.gz BTFGMVIZGITONE-HOTGVXAUSA-N 0 3 316.401 2.381 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)cc1 ZINC000775227336 642017589 /nfs/dbraw/zinc/01/75/89/642017589.db2.gz OBXNJJKZDPAVGJ-HNNXBMFYSA-N 0 3 312.325 2.487 20 30 DEEDHN COc1ccc(-c2ccc([O-])c(C#N)c2)cc1C[C@H](C[NH3+])CO ZINC000899323012 642029859 /nfs/dbraw/zinc/02/98/59/642029859.db2.gz LUMSBMAZBKZJQF-GFCCVEGCSA-N 0 3 312.369 2.049 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(OC)c1)[C@H]1CCCO1 ZINC000775571419 642059991 /nfs/dbraw/zinc/05/99/91/642059991.db2.gz GXOYCZKEENWBNZ-XOKHGSTOSA-N 0 3 316.401 2.183 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837046 642103837 /nfs/dbraw/zinc/10/38/37/642103837.db2.gz QTYNPUXZRQNICX-HUUCEWRRSA-N 0 3 316.449 2.411 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@H]1OC ZINC000775977796 642118063 /nfs/dbraw/zinc/11/80/63/642118063.db2.gz DKMOQHSYUMDXPZ-VJUNAUMWSA-N 0 3 304.390 2.259 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccn(C(F)F)n1 ZINC000776076493 642128653 /nfs/dbraw/zinc/12/86/53/642128653.db2.gz GZEIFRIIVQFAJO-JTQLQIEISA-N 0 3 304.256 2.239 20 30 DEEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCN(CCOC)C1 ZINC000778167785 642347199 /nfs/dbraw/zinc/34/71/99/642347199.db2.gz ROHKRESQUJFOOI-AWEZNQCLSA-N 0 3 322.836 2.162 20 30 DEEDHN CC(=NNCCOC(C)C)c1cccc(N2CCOCC2)c1 ZINC000778550792 642405584 /nfs/dbraw/zinc/40/55/84/642405584.db2.gz QJMYTYJWFYWMFZ-UHFFFAOYSA-N 0 3 305.422 2.262 20 30 DEEDHN CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccncc2)CC1 ZINC000779809486 642543011 /nfs/dbraw/zinc/54/30/11/642543011.db2.gz JXHGOFFVYPZXAC-UHFFFAOYSA-N 0 3 323.444 2.482 20 30 DEEDHN CN(C)Cc1cccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1 ZINC000780882342 642683866 /nfs/dbraw/zinc/68/38/66/642683866.db2.gz GZEFEKPWNQOSIY-QGZVFWFLSA-N 0 3 309.369 2.292 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnn3C(C)C)CCC[C@@H]12 ZINC000990891044 642716769 /nfs/dbraw/zinc/71/67/69/642716769.db2.gz MEBAWIDFDHKLSN-NVXWUHKLSA-N 0 3 302.422 2.377 20 30 DEEDHN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(C#N)ccn1 ZINC000902818708 643150393 /nfs/dbraw/zinc/15/03/93/643150393.db2.gz OUIKNMFJVNIGHI-UKRRQHHQSA-N 0 3 310.405 2.006 20 30 DEEDHN C=CCC[C@H](N[C@H](CO)c1ccnn1C)[C@@]1(C)CCCCO1 ZINC000903065204 643235844 /nfs/dbraw/zinc/23/58/44/643235844.db2.gz QAKNNYJFOHMDSF-HYVNUMGLSA-N 0 3 307.438 2.337 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786560914 643385544 /nfs/dbraw/zinc/38/55/44/643385544.db2.gz SJCGHGBKPDJYCD-MFKMUULPSA-N 0 3 324.327 2.105 20 30 DEEDHN C=C(Br)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000787674447 643524775 /nfs/dbraw/zinc/52/47/75/643524775.db2.gz FOYHMKAPCNQQFK-CYBMUJFWSA-N 0 3 303.244 2.082 20 30 DEEDHN COC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CCCO1 ZINC000788535129 643621153 /nfs/dbraw/zinc/62/11/53/643621153.db2.gz KHCNWKWFPZQVPA-JQFCIGGWSA-N 0 3 304.390 2.261 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)C[C@@H](O)c2ccccc2)cc1F ZINC000905281411 643855874 /nfs/dbraw/zinc/85/58/74/643855874.db2.gz UCVFLZMOJXUYCF-FUHWJXTLSA-N 0 3 314.360 2.272 20 30 DEEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CCC2(CCOCC2)CO1 ZINC000905826825 644059457 /nfs/dbraw/zinc/05/94/57/644059457.db2.gz FOPUDHDHXXWORN-CVEARBPZSA-N 0 3 305.422 2.385 20 30 DEEDHN COc1ncc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1C#N ZINC000906145941 644154053 /nfs/dbraw/zinc/15/40/53/644154053.db2.gz XKFWJFXHOPIOQN-MRXNPFEDSA-N 0 3 320.368 2.113 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000793282202 644224192 /nfs/dbraw/zinc/22/41/92/644224192.db2.gz USBCVIRZZPAZPU-ZDUSSCGKSA-N 0 3 322.430 2.034 20 30 DEEDHN O=C(C#Cc1ccccc1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794589336 644441098 /nfs/dbraw/zinc/44/10/98/644441098.db2.gz YMGHIKOSGPLCOI-LJQANCHMSA-N 0 3 320.392 2.243 20 30 DEEDHN C#CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000907425115 644544628 /nfs/dbraw/zinc/54/46/28/644544628.db2.gz JJDWGFMNFRZZIQ-QWHCGFSZSA-N 0 3 302.340 2.418 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000797071052 644833786 /nfs/dbraw/zinc/83/37/86/644833786.db2.gz PNEHRTLCBFODAM-UONOGXRCSA-N 0 3 321.442 2.315 20 30 DEEDHN CCOCC1(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)CC1 ZINC000799604864 645194744 /nfs/dbraw/zinc/19/47/44/645194744.db2.gz GFOHNSPRILHZKD-SNVBAGLBSA-N 0 3 322.386 2.313 20 30 DEEDHN CCCN(CCO[C@@H](C)C#N)C[C@H]1COc2ccccc2O1 ZINC000801915346 645461956 /nfs/dbraw/zinc/46/19/56/645461956.db2.gz QIGLKARWWONSDR-GJZGRUSLSA-N 0 3 304.390 2.467 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000911642832 645760533 /nfs/dbraw/zinc/76/05/33/645760533.db2.gz ODWOKMARJJFHII-CVEARBPZSA-N 0 3 306.381 2.409 20 30 DEEDHN C#C[C@@H](CC)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000806154815 645805095 /nfs/dbraw/zinc/80/50/95/645805095.db2.gz JITSWVYYBTVBLX-HNNXBMFYSA-N 0 3 314.433 2.362 20 30 DEEDHN C#CCNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000806314321 645818269 /nfs/dbraw/zinc/81/82/69/645818269.db2.gz UKMOCGZTWJEYTL-KRWDZBQOSA-N 0 3 301.434 2.420 20 30 DEEDHN C#CCSCCNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000806845095 645878571 /nfs/dbraw/zinc/87/85/71/645878571.db2.gz HGQYVDYPJKYINJ-UONOGXRCSA-N 0 3 323.462 2.374 20 30 DEEDHN C[C@H](NC(=O)NC[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000912078146 645939581 /nfs/dbraw/zinc/93/95/81/645939581.db2.gz QXOOENSOZFPBKT-XJKSGUPXSA-N 0 3 300.406 2.403 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000912332872 646019573 /nfs/dbraw/zinc/01/95/73/646019573.db2.gz IYAIJSSLJLWCQZ-MRXNPFEDSA-N 0 3 315.417 2.431 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000912312022 646023042 /nfs/dbraw/zinc/02/30/42/646023042.db2.gz LFDJFFZIMVHEGS-HNNXBMFYSA-N 0 3 320.389 2.251 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000912314523 646023699 /nfs/dbraw/zinc/02/36/99/646023699.db2.gz GQDNIRQAXSFEEU-ZDUSSCGKSA-N 0 3 305.378 2.276 20 30 DEEDHN C[C@@]1(NC(=O)c2[nH]c3ccccc3c2C#N)CN2CCC1CC2 ZINC000912376617 646049351 /nfs/dbraw/zinc/04/93/51/646049351.db2.gz YXRMKWZLNLZYMO-GOSISDBHSA-N 0 3 308.385 2.254 20 30 DEEDHN C#C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)C(C)(C)C ZINC000808243842 646061454 /nfs/dbraw/zinc/06/14/54/646061454.db2.gz QXQUCQROQWCXSA-MRXNPFEDSA-N 0 3 301.434 2.466 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CCC(N3CCC3)CC2)cc1 ZINC000912869052 646193083 /nfs/dbraw/zinc/19/30/83/646193083.db2.gz PRSJKMBEVUMGDY-BQYQJAHWSA-N 0 3 312.413 2.431 20 30 DEEDHN CSc1ccc(CNCCNC(=O)C2N=CC=CC2=O)s1 ZINC000810145338 646331123 /nfs/dbraw/zinc/33/11/23/646331123.db2.gz ZHGWHKTXLCQOKE-BUHFOSPRSA-N 0 3 323.443 2.086 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nnc3CC)CCC[C@H]12 ZINC000991477736 646403477 /nfs/dbraw/zinc/40/34/77/646403477.db2.gz YLUMHKMCKQGURY-FUHWJXTLSA-N 0 3 314.433 2.260 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)C1(CCF)CC1 ZINC000810708596 646409654 /nfs/dbraw/zinc/40/96/54/646409654.db2.gz VKYDNDXXZOFGJO-NSHDSACASA-N 0 3 324.302 2.430 20 30 DEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000156525908 646429033 /nfs/dbraw/zinc/42/90/33/646429033.db2.gz PZVADRRAEAKYCP-QWHCGFSZSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(F)cccc2OC)C[C@@H]1C ZINC000947324464 646473805 /nfs/dbraw/zinc/47/38/05/646473805.db2.gz SSHISLLEXRPFAA-KBPBESRZSA-N 0 3 318.392 2.440 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(c3ccccn3)CC2)C[C@H]1C ZINC000947315369 646539763 /nfs/dbraw/zinc/53/97/63/646539763.db2.gz RYLCISOZKLBCTC-HZPDHXFCSA-N 0 3 311.429 2.106 20 30 DEEDHN CN(C)c1ncc(C=NNCc2cnc3ccccc3c2)n1C ZINC000811644637 646554445 /nfs/dbraw/zinc/55/44/45/646554445.db2.gz DJBBNDMVWMGIDB-UHFFFAOYSA-N 0 3 308.389 2.158 20 30 DEEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNC[C@H]1CCSC1 ZINC000811658432 646555905 /nfs/dbraw/zinc/55/59/05/646555905.db2.gz JZYDNOGBYGVQLT-CYBMUJFWSA-N 0 3 315.446 2.440 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc4O3)CCC[C@H]12 ZINC000991711709 646593987 /nfs/dbraw/zinc/59/39/87/646593987.db2.gz OPQLTJBUVZMBBW-WSTZPKSXSA-N 0 3 324.424 2.127 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(Cl)n(C)n3)CCC[C@@H]12 ZINC000991753919 646611591 /nfs/dbraw/zinc/61/15/91/646611591.db2.gz PVQXAMDXXCTQOR-CJNGLKHVSA-N 0 3 322.840 2.376 20 30 DEEDHN C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C[C@H]1C ZINC000947334310 646617831 /nfs/dbraw/zinc/61/78/31/646617831.db2.gz KNKXKXVYZDJBCJ-CHWSQXEVSA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C[C@H]1C ZINC000947334310 646617835 /nfs/dbraw/zinc/61/78/35/646617835.db2.gz KNKXKXVYZDJBCJ-CHWSQXEVSA-N 0 3 313.405 2.117 20 30 DEEDHN Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(C#N)cc1[N+](=O)[O-] ZINC000840251283 646645224 /nfs/dbraw/zinc/64/52/24/646645224.db2.gz IKMVPCRNHRTFRD-ZIAGYGMSSA-N 0 3 316.361 2.050 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnn(CCC)c2)CC1 ZINC000948820817 646686976 /nfs/dbraw/zinc/68/69/76/646686976.db2.gz RVPLVDAMDXYYDY-KRWDZBQOSA-N 0 3 316.449 2.243 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2nc(CC)oc2C)CC1 ZINC000948848934 646724481 /nfs/dbraw/zinc/72/44/81/646724481.db2.gz JAZUWENIYMFHOC-OAHLLOKOSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000173330241 646765333 /nfs/dbraw/zinc/76/53/33/646765333.db2.gz WFSUJXBINYKOCY-UHFFFAOYSA-N 0 3 323.387 2.451 20 30 DEEDHN C#CCCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000173366116 646767473 /nfs/dbraw/zinc/76/74/73/646767473.db2.gz YILAZGZZHJDNSQ-UHFFFAOYSA-N 0 3 313.445 2.037 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN([C@H](C)COC)C2)cc1 ZINC001014983029 646825788 /nfs/dbraw/zinc/82/57/88/646825788.db2.gz ZZWXOILWLWGXPW-ZBFHGGJFSA-N 0 3 318.417 2.090 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(CC#CC)CC3)cc1 ZINC000992101156 646851860 /nfs/dbraw/zinc/85/18/60/646851860.db2.gz VKBMCDWUUAIOMB-AZUAARDMSA-N 0 3 306.409 2.418 20 30 DEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCOC1 ZINC000730264267 646876622 /nfs/dbraw/zinc/87/66/22/646876622.db2.gz GAMHHXHVJLOESJ-NWDGAFQWSA-N 0 3 315.398 2.193 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc43)CCC[C@H]12 ZINC000992157258 646877415 /nfs/dbraw/zinc/87/74/15/646877415.db2.gz YQEVYKSGZPEQFW-CMKODMSKSA-N 0 3 308.425 2.463 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCc4cccnc43)CCC[C@@H]12 ZINC000992164175 646880051 /nfs/dbraw/zinc/88/00/51/646880051.db2.gz 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646956954 /nfs/dbraw/zinc/95/69/54/646956954.db2.gz LACVXJAGGYZPPG-QWHCGFSZSA-N 0 3 314.389 2.438 20 30 DEEDHN N#CCCOCCN[C@@H](CO)c1cccc(Br)c1 ZINC000815086209 646964702 /nfs/dbraw/zinc/96/47/02/646964702.db2.gz IETIUZNNGRGUCE-ZDUSSCGKSA-N 0 3 313.195 2.002 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3c(C)nn(C)c3F)CCC[C@@H]12 ZINC000992445061 647009888 /nfs/dbraw/zinc/00/98/88/647009888.db2.gz JRVZICNYNIIEQS-DYVFJYSZSA-N 0 3 320.412 2.171 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3[nH]nc4ccccc43)CCC[C@H]12 ZINC000992494469 647069416 /nfs/dbraw/zinc/06/94/16/647069416.db2.gz QVWROOXAKIRHEN-LPHOPBHVSA-N 0 3 322.412 2.313 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3c[nH]c4ncccc34)CCC[C@@H]12 ZINC000992513128 647081643 /nfs/dbraw/zinc/08/16/43/647081643.db2.gz OPXXBHYWABGUBY-APWZRJJASA-N 0 3 322.412 2.313 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(N(C)C)ccn3)CCC[C@@H]12 ZINC000992521279 647086436 /nfs/dbraw/zinc/08/64/36/647086436.db2.gz AZOYGQPITBBPOB-SJLPKXTDSA-N 0 3 314.433 2.060 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC3CCC(OC)CC3)CCC[C@H]12 ZINC000992528282 647089047 /nfs/dbraw/zinc/08/90/47/647089047.db2.gz MOAZHDWSLWUKNM-BXNZUYAZSA-N 0 3 318.461 2.328 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12 ZINC000992550744 647107233 /nfs/dbraw/zinc/10/72/33/647107233.db2.gz QNTIQFITJYZVTO-YUANNNKLSA-N 0 3 312.457 2.415 20 30 DEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000152284123 647133887 /nfs/dbraw/zinc/13/38/87/647133887.db2.gz YCWFCTTXYMWSLC-FZMZJTMJSA-N 0 3 304.346 2.158 20 30 DEEDHN N#Cc1cc(Cl)cc(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000929798062 647203961 /nfs/dbraw/zinc/20/39/61/647203961.db2.gz ZBZLBJORBWSIDI-AWEZNQCLSA-N 0 3 319.836 2.366 20 30 DEEDHN CCN1CCN(c2ccc(Nc3cncc(C#N)n3)cc2)CC1 ZINC000817121546 647225282 /nfs/dbraw/zinc/22/52/82/647225282.db2.gz XNPVXQFAJSZXDO-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1ccccc1F ZINC000193362572 647481294 /nfs/dbraw/zinc/48/12/94/647481294.db2.gz QFTAYFRHEUOOON-CQSZACIVSA-N 0 3 320.364 2.008 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cn1 ZINC000731468389 647481616 /nfs/dbraw/zinc/48/16/16/647481616.db2.gz IBVOONYQIIAEDU-KRWDZBQOSA-N 0 3 305.381 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000818602841 647486339 /nfs/dbraw/zinc/48/63/39/647486339.db2.gz HKLKATYYXJNZNY-AWEZNQCLSA-N 0 3 322.836 2.487 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)cc1OCC ZINC000818612387 647488231 /nfs/dbraw/zinc/48/82/31/647488231.db2.gz YGWPGJVEZVCXPK-UHFFFAOYSA-N 0 3 308.809 2.424 20 30 DEEDHN C#CCOc1ccccc1CNCCC(=O)Nc1cc(C)on1 ZINC000819072467 647577945 /nfs/dbraw/zinc/57/79/45/647577945.db2.gz LTIDPMOISIGVME-UHFFFAOYSA-N 0 3 313.357 2.113 20 30 DEEDHN N#CC(C(=O)C=CC1CCOCC1)c1nnc2n1CCCCC2 ZINC000732707596 647644655 /nfs/dbraw/zinc/64/46/55/647644655.db2.gz AQZTZLHRVKDXME-GXMNPTEKSA-N 0 3 314.389 2.164 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C)sc2C)[C@H]1C ZINC000993472630 647674749 /nfs/dbraw/zinc/67/47/49/647674749.db2.gz BEZHSBIUKOZKOJ-RISCZKNCSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H]1C ZINC000993485074 647684417 /nfs/dbraw/zinc/68/44/17/647684417.db2.gz BXTJDLTULCRSCC-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H]1C ZINC000993487184 647685526 /nfs/dbraw/zinc/68/55/26/647685526.db2.gz GZKITFSRTOYQPC-CHWSQXEVSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3ncn(C)c32)[C@H]1C ZINC000993513411 647693802 /nfs/dbraw/zinc/69/38/02/647693802.db2.gz PLOOXUDBKKUVCL-GDBMZVCRSA-N 0 3 324.428 2.179 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(OC)nc2)[C@H]1C ZINC000993572911 647694753 /nfs/dbraw/zinc/69/47/53/647694753.db2.gz PESBUNJHRVQHAU-UKRRQHHQSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C2CCOCC2)[C@@H]1C ZINC000993579889 647696908 /nfs/dbraw/zinc/69/69/08/647696908.db2.gz ZMAOKODRVFZWLR-RDJZCZTQSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H]1C ZINC000993651369 647717547 /nfs/dbraw/zinc/71/75/47/647717547.db2.gz AACCFKRJMDTNKF-ZIAGYGMSSA-N 0 3 303.406 2.404 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ncccc2F)[C@H]1C ZINC000993706518 647727769 /nfs/dbraw/zinc/72/77/69/647727769.db2.gz XAYURVJNAYCZMW-HIFRSBDPSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H]1C ZINC000993716783 647729480 /nfs/dbraw/zinc/72/94/80/647729480.db2.gz OKBLLPHPYCOXPX-XJKSGUPXSA-N 0 3 310.401 2.169 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cccc(OC(F)F)c1 ZINC000819943885 647746102 /nfs/dbraw/zinc/74/61/02/647746102.db2.gz VHFBFMRUWLVHKH-CYBMUJFWSA-N 0 3 324.327 2.454 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(OC)c2F)[C@H]1C ZINC000994078238 647785432 /nfs/dbraw/zinc/78/54/32/647785432.db2.gz HQQBZBIZLZOTOO-HIFRSBDPSA-N 0 3 318.392 2.440 20 30 DEEDHN C#C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000820441418 647845380 /nfs/dbraw/zinc/84/53/80/647845380.db2.gz UXKAUYHSNQJJMA-LBPRGKRZSA-N 0 3 309.360 2.060 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCn1nc(C)cc1C ZINC000916876176 647936136 /nfs/dbraw/zinc/93/61/36/647936136.db2.gz RJJLEJLZBFBPBU-HNNXBMFYSA-N 0 3 318.421 2.295 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000916918680 647939502 /nfs/dbraw/zinc/93/95/02/647939502.db2.gz VKKUTMZTYKRVNJ-MFKMUULPSA-N 0 3 306.749 2.118 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@H]1C ZINC000994566113 648068513 /nfs/dbraw/zinc/06/85/13/648068513.db2.gz TXHWEQAMYYAGFO-QAPCUYQASA-N 0 3 313.445 2.430 20 30 DEEDHN CCCCC(=O)C(C#N)C(=O)NCCc1ccc(OC)cc1 ZINC000155002612 648160008 /nfs/dbraw/zinc/16/00/08/648160008.db2.gz FIGOPRWAKXLMDW-OAHLLOKOSA-N 0 3 302.374 2.253 20 30 DEEDHN C#CCOc1ccc(CN2CCN(C(C)(C)COC)CC2)cc1 ZINC000822498020 648219181 /nfs/dbraw/zinc/21/91/81/648219181.db2.gz SUDNKEXVMGSEDI-UHFFFAOYSA-N 0 3 316.445 2.241 20 30 DEEDHN COc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000175113424 648332794 /nfs/dbraw/zinc/33/27/94/648332794.db2.gz UEPHSBAMORZRHW-DOMZBBRYSA-N 0 3 302.374 2.422 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@@H](NC(=O)c2ccon2)C1 ZINC000994778338 648357557 /nfs/dbraw/zinc/35/75/57/648357557.db2.gz YUCUJDKBZMSKRW-CZUORRHYSA-N 0 3 324.384 2.235 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H](C)[C@@H](NCc3ccnn3C)C2)CC1 ZINC000939051016 648545219 /nfs/dbraw/zinc/54/52/19/648545219.db2.gz WDPKJLJINWUQSF-PBHICJAKSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000826663049 648900782 /nfs/dbraw/zinc/90/07/82/648900782.db2.gz WAZKFDSATFBDLK-ZDUSSCGKSA-N 0 3 300.402 2.390 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnn2C(C)C)C(C)(C)C1 ZINC000940774624 648942903 /nfs/dbraw/zinc/94/29/03/648942903.db2.gz SSXDCEWDVMXJPR-MRXNPFEDSA-N 0 3 316.449 2.318 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cncc2F)C(C)(C)C1 ZINC000940773493 648943003 /nfs/dbraw/zinc/94/30/03/648943003.db2.gz CWRVABVLYVZOQW-ZDUSSCGKSA-N 0 3 309.360 2.376 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncc(OC)cc2F)C(C)(C)C1 ZINC000940790949 648947238 /nfs/dbraw/zinc/94/72/38/648947238.db2.gz 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/nfs/dbraw/zinc/29/59/85/649295985.db2.gz NSAHAKCDSDENMZ-MRXNPFEDSA-N 0 3 315.417 2.303 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000943465463 649379571 /nfs/dbraw/zinc/37/95/71/649379571.db2.gz MKIZTUSPFUVOFW-WCQYABFASA-N 0 3 310.850 2.404 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)[C@H](C)C1 ZINC000943516281 649387468 /nfs/dbraw/zinc/38/74/68/649387468.db2.gz KVKBGGUDMQCRST-QAPCUYQASA-N 0 3 323.440 2.479 20 30 DEEDHN COCCN1[C@H](C)CN(Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000830053577 649388459 /nfs/dbraw/zinc/38/84/59/649388459.db2.gz KSARDGHSLRIWRZ-IYBDPMFKSA-N 0 3 317.433 2.130 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(CCC)nc2C)[C@@H](C)C1 ZINC000943765403 649421680 /nfs/dbraw/zinc/42/16/80/649421680.db2.gz CMXWQJOJLQQXHS-YOEHRIQHSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3nsnc32)[C@H](C)C1 ZINC000943875993 649449708 /nfs/dbraw/zinc/44/97/08/649449708.db2.gz HALJSBOJCCXMTG-DGCLKSJQSA-N 0 3 316.430 2.318 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cnccc3c2)[C@@H](C)C1 ZINC000943966310 649464937 /nfs/dbraw/zinc/46/49/37/649464937.db2.gz NCDBFGBFVQSFPC-KBXCAEBGSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(C3CCC3)n2)[C@@H](C)C1 ZINC000944080502 649480600 /nfs/dbraw/zinc/48/06/00/649480600.db2.gz NNXQKEBMKNBBDY-DZGCQCFKSA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@H](C)C1 ZINC000944119961 649485790 /nfs/dbraw/zinc/48/57/90/649485790.db2.gz CNSIVTQYORLSID-CZUORRHYSA-N 0 3 304.438 2.399 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000944316841 649510314 /nfs/dbraw/zinc/51/03/14/649510314.db2.gz HCGUOJXQKOKSKZ-WFASDCNBSA-N 0 3 306.356 2.428 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)CN(CC)CC)c1 ZINC000072893465 649533929 /nfs/dbraw/zinc/53/39/29/649533929.db2.gz ZSXSAPZITAAFFP-HNNXBMFYSA-N 0 3 303.406 2.326 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000944702755 649555794 /nfs/dbraw/zinc/55/57/94/649555794.db2.gz 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301.390 2.116 20 30 DEEDHN N#Cc1ccc(-c2ccn(CN3CC[C@H]4COC[C@@H]4C3)n2)cc1 ZINC000853588886 652574623 /nfs/dbraw/zinc/57/46/23/652574623.db2.gz SEYZLRPAMFWNKS-IRXDYDNUSA-N 0 3 308.385 2.348 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000854070421 652637967 /nfs/dbraw/zinc/63/79/67/652637967.db2.gz NIWBJRHHKOKHQP-AWEZNQCLSA-N 0 3 303.406 2.297 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NCc1ccc(C#N)s1 ZINC001371376091 1155838050 /nfs/dbraw/zinc/83/80/50/1155838050.db2.gz IRCRYZNLUGKZCU-NZVBXONLSA-N 0 3 303.431 2.260 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCCF ZINC001356557211 1152089608 /nfs/dbraw/zinc/08/96/08/1152089608.db2.gz PEXQATYTYWSIRA-CQSZACIVSA-N 0 3 309.433 2.459 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccn1Cc1ccccc1 ZINC000382280806 685403252 /nfs/dbraw/zinc/40/32/52/685403252.db2.gz IXJZMYHRAPZAER-UHFFFAOYSA-N 0 3 309.413 2.221 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928444871 693781098 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/nfs/dbraw/zinc/74/06/28/687740628.db2.gz XRKWJKXXBXMMAZ-HNNXBMFYSA-N 0 3 313.426 2.447 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(F)s2)CC1 ZINC001016996493 687753096 /nfs/dbraw/zinc/75/30/96/687753096.db2.gz DXPNNWUFLMKTEN-CYBMUJFWSA-N 0 3 306.406 2.495 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)C2 ZINC000868037821 687886917 /nfs/dbraw/zinc/88/69/17/687886917.db2.gz INEGSTJABYGPCK-ROUUACIJSA-N 0 3 311.429 2.439 20 30 DEEDHN CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017453612 687893253 /nfs/dbraw/zinc/89/32/53/687893253.db2.gz CMEWIVOLFREQFH-GASCZTMLSA-N 0 3 300.406 2.221 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000868283643 687968772 /nfs/dbraw/zinc/96/87/72/687968772.db2.gz CIDJPXPEAQVBST-KBPBESRZSA-N 0 3 309.479 2.031 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001017915648 687999519 /nfs/dbraw/zinc/99/95/19/687999519.db2.gz MNMNCVVXWBVDLV-NCOADZHNSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001018006952 688026015 /nfs/dbraw/zinc/02/60/15/688026015.db2.gz GGLNJXIMDJOBKT-GASCZTMLSA-N 0 3 322.840 2.178 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[C@@H]1CCCO1 ZINC001018325985 688110930 /nfs/dbraw/zinc/11/09/30/688110930.db2.gz ZPSPDYAOIBUFBT-NXOAAHMSSA-N 0 3 306.450 2.443 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)c3ccco3)C2)ccc1F ZINC001018422371 688132578 /nfs/dbraw/zinc/13/25/78/688132578.db2.gz YCXDBWWGBCIDAL-AWEZNQCLSA-N 0 3 313.332 2.295 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018717601 688216530 /nfs/dbraw/zinc/21/65/30/688216530.db2.gz YELJXVYCZAJREG-LSDHHAIUSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001018989695 688266889 /nfs/dbraw/zinc/26/68/89/688266889.db2.gz QANBBBJPSGDAIL-BQFCYCMXSA-N 0 3 312.413 2.013 20 30 DEEDHN C[C@@H]1C[C@H](CN2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000930551416 694188192 /nfs/dbraw/zinc/18/81/92/694188192.db2.gz BTYBGSSBTXLOKB-ZSHCYNCHSA-N 0 3 314.433 2.279 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](NCc3cnc(C)nc3)C2)CC1 ZINC001019331006 688330318 /nfs/dbraw/zinc/33/03/18/688330318.db2.gz HBNHTXNUTYIGKZ-KRWDZBQOSA-N 0 3 314.433 2.222 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2ccc(OC)nc2)C1 ZINC001019332108 688330757 /nfs/dbraw/zinc/33/07/57/688330757.db2.gz KGBPTOZYAPYDHX-MAUKXSAKSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001019736011 688403526 /nfs/dbraw/zinc/40/35/26/688403526.db2.gz XQDJIFGOHBZOOO-INIZCTEOSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC001020224836 688487683 /nfs/dbraw/zinc/48/76/83/688487683.db2.gz HYCYIIKQQYQRGG-XUXIUFHCSA-N 0 3 300.830 2.181 20 30 DEEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CCOCC1 ZINC000870135675 688494200 /nfs/dbraw/zinc/49/42/00/688494200.db2.gz BNROSTLLOQFSSD-WMLDXEAASA-N 0 3 317.389 2.101 20 30 DEEDHN N#CC1CCC(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000930647645 694209093 /nfs/dbraw/zinc/20/90/93/694209093.db2.gz NVSSGGDBPQZNHA-GPANFISMSA-N 0 3 310.463 2.217 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000930718989 694226172 /nfs/dbraw/zinc/22/61/72/694226172.db2.gz XNKNVQHYIPBILN-ZDUSSCGKSA-N 0 3 305.426 2.239 20 30 DEEDHN CN1CCN(C(=O)c2ncc(C#N)cc2Cl)CCC1(C)C ZINC000871155701 688738252 /nfs/dbraw/zinc/73/82/52/688738252.db2.gz YZWIEXXMZYTEDX-UHFFFAOYSA-N 0 3 306.797 2.163 20 30 DEEDHN C=CCNC(=O)CN[C@@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872056884 688920522 /nfs/dbraw/zinc/92/05/22/688920522.db2.gz AOPNFHCXNUHTIZ-MRXNPFEDSA-N 0 3 308.397 2.054 20 30 DEEDHN Cc1nn(C)c2nc(Cl)cc(N=NC3CN(C)C[C@H]3C)c12 ZINC000872423184 688997682 /nfs/dbraw/zinc/99/76/82/688997682.db2.gz FZUINMVQJIJCFE-MRVPVSSYSA-N 0 3 306.801 2.280 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2CN(CC3=CCCCC3)C2)c1 ZINC001031965583 689032966 /nfs/dbraw/zinc/03/29/66/689032966.db2.gz PHOZJISRVLIAET-UHFFFAOYSA-N 0 3 309.413 2.225 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001032160326 689074813 /nfs/dbraw/zinc/07/48/13/689074813.db2.gz QAKCSPKEBHYJMA-MRXNPFEDSA-N 0 3 302.805 2.051 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000930867520 694258304 /nfs/dbraw/zinc/25/83/04/694258304.db2.gz RAXFLLPBYDCGQM-IAQYHMDHSA-N 0 3 314.389 2.171 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nccnc2C)CC1 ZINC000872881933 689112159 /nfs/dbraw/zinc/11/21/59/689112159.db2.gz RHHIIWWDEBOURQ-CQSZACIVSA-N 0 3 317.437 2.186 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nncc2ccccc21 ZINC001032514222 689173158 /nfs/dbraw/zinc/17/31/58/689173158.db2.gz NGVJOOKTNSWNBZ-HOTGVXAUSA-N 0 3 322.412 2.495 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nonc2c1 ZINC001032601391 689198578 /nfs/dbraw/zinc/19/85/78/689198578.db2.gz SWXISYOEAAXMFA-KBPBESRZSA-N 0 3 312.373 2.088 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)c1 ZINC001032617130 689203403 /nfs/dbraw/zinc/20/34/03/689203403.db2.gz 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ZINC001032736717 689242487 /nfs/dbraw/zinc/24/24/87/689242487.db2.gz ZRHXRRDVXUPDFI-JYJNAYRXSA-N 0 3 315.417 2.100 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1CN2CCC(=C)C ZINC001032754027 689248309 /nfs/dbraw/zinc/24/83/09/689248309.db2.gz UHEIBONPTFGYIJ-OALUTQOASA-N 0 3 308.425 2.462 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(F)cc(F)c1 ZINC001032807364 689266859 /nfs/dbraw/zinc/26/68/59/689266859.db2.gz FXCPGAVXSLTEOI-GJZGRUSLSA-N 0 3 322.355 2.205 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001033104720 689388174 /nfs/dbraw/zinc/38/81/74/689388174.db2.gz YXHWHCVFYYVKQO-DLBZAZTESA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001033111276 689391862 /nfs/dbraw/zinc/39/18/62/689391862.db2.gz MQVMNBZZCZJHDY-QGZVFWFLSA-N 0 3 314.429 2.482 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033135707 689400820 /nfs/dbraw/zinc/40/08/20/689400820.db2.gz JISMERLAIQJDHW-CYBMUJFWSA-N 0 3 307.344 2.189 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001033266195 689444138 /nfs/dbraw/zinc/44/41/38/689444138.db2.gz GNXIIXBXELDXBZ-LLVKDONJSA-N 0 3 312.364 2.080 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001033269597 689445546 /nfs/dbraw/zinc/44/55/46/689445546.db2.gz JYJBONVADUGKNR-HNNXBMFYSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001033320785 689461265 /nfs/dbraw/zinc/46/12/65/689461265.db2.gz WXYLSBQRHRDIKC-KBPBESRZSA-N 0 3 319.405 2.249 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(F)cc(OC)cc2F)C1 ZINC001033432427 689497773 /nfs/dbraw/zinc/49/77/73/689497773.db2.gz GRTUETPXSVPLFV-GFCCVEGCSA-N 0 3 322.355 2.143 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001033473749 689514639 /nfs/dbraw/zinc/51/46/39/689514639.db2.gz OVUSJBHKSFDDLT-NVXWUHKLSA-N 0 3 318.392 2.238 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033558303 689543000 /nfs/dbraw/zinc/54/30/00/689543000.db2.gz OHVHDBDLRDYHCF-QGZVFWFLSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033658713 689574992 /nfs/dbraw/zinc/57/49/92/689574992.db2.gz SVQMNJPLFGIMKJ-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001033689356 689584190 /nfs/dbraw/zinc/58/41/90/689584190.db2.gz BJQAFMDFRNFUKH-OAHLLOKOSA-N 0 3 317.408 2.061 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001033690059 689585343 /nfs/dbraw/zinc/58/53/43/689585343.db2.gz DWXCKDPBBCUOHA-HNNXBMFYSA-N 0 3 312.417 2.214 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001033856205 689640629 /nfs/dbraw/zinc/64/06/29/689640629.db2.gz SBNRXJLIQKQIMX-HOTGVXAUSA-N 0 3 316.449 2.259 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001033862198 689642520 /nfs/dbraw/zinc/64/25/20/689642520.db2.gz YPJROUOGFSMHJY-LBPRGKRZSA-N 0 3 322.840 2.185 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cncc3[nH]ccc32)C1 ZINC001033883962 689649576 /nfs/dbraw/zinc/64/95/76/689649576.db2.gz FSUAQSPOPFZBQA-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnc3ccc(C)cn32)C1 ZINC001033899003 689655228 /nfs/dbraw/zinc/65/52/28/689655228.db2.gz ZTTXKAKLCJZCLX-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001033936299 689667164 /nfs/dbraw/zinc/66/71/64/689667164.db2.gz PNCMRCRIUOSJQD-MRXNPFEDSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c[nH]c(=O)cc2C)C1 ZINC001033950046 689671713 /nfs/dbraw/zinc/67/17/13/689671713.db2.gz OKCFXQDSKFKZMZ-AWEZNQCLSA-N 0 3 303.406 2.208 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001034013891 689693313 /nfs/dbraw/zinc/69/33/13/689693313.db2.gz FZXOVCOLPDLXHX-INIZCTEOSA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ncc3n2CCCC3)C1 ZINC001034047434 689705164 /nfs/dbraw/zinc/70/51/64/689705164.db2.gz IRBLLEIPVFFQIQ-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cnc(COC)s2)C1 ZINC001034057444 689708646 /nfs/dbraw/zinc/70/86/46/689708646.db2.gz WIZHMHHILIPMJS-ZDUSSCGKSA-N 0 3 323.462 2.402 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001034212035 689764663 /nfs/dbraw/zinc/76/46/63/689764663.db2.gz UZFNEWKPKFDAAM-INIZCTEOSA-N 0 3 314.433 2.216 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001034219504 689767411 /nfs/dbraw/zinc/76/74/11/689767411.db2.gz MYAIYCWSYWXZHV-HUUCEWRRSA-N 0 3 304.438 2.070 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ncnc3sccc32)C1 ZINC001034220626 689768865 /nfs/dbraw/zinc/76/88/65/689768865.db2.gz UWTMEOBBXTZFLX-LBPRGKRZSA-N 0 3 316.430 2.462 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(OCC)nc2)C1 ZINC001034232306 689774142 /nfs/dbraw/zinc/77/41/42/689774142.db2.gz VMFYJOLJBORUMW-INIZCTEOSA-N 0 3 315.417 2.088 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001034257579 689784281 /nfs/dbraw/zinc/78/42/81/689784281.db2.gz PMPLIXBRVVTBJN-CYBMUJFWSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001034280625 689792785 /nfs/dbraw/zinc/79/27/85/689792785.db2.gz WIRKWSNYKKQXSV-CQSZACIVSA-N 0 3 318.421 2.052 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccn3nccc23)C1 ZINC001034288387 689796892 /nfs/dbraw/zinc/79/68/92/689796892.db2.gz KAYCOCUWCGRXFG-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nnn(CC)c2CC)C1 ZINC001034390579 689831451 /nfs/dbraw/zinc/83/14/51/689831451.db2.gz DRKZBPPYXHCQGQ-AWEZNQCLSA-N 0 3 319.453 2.021 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001034411799 689840357 /nfs/dbraw/zinc/84/03/57/689840357.db2.gz WOVRVQGSNKXGHY-CQSZACIVSA-N 0 3 302.422 2.448 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001034423938 689844921 /nfs/dbraw/zinc/84/49/21/689844921.db2.gz KXNDOONKOACFKT-HNNXBMFYSA-N 0 3 300.402 2.392 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@@H]2CCCCN(CC(=C)C)C2)nn1 ZINC001034433174 689849284 /nfs/dbraw/zinc/84/92/84/689849284.db2.gz NPFIWZXUZQRVFZ-OAHLLOKOSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001034447814 689854256 /nfs/dbraw/zinc/85/42/56/689854256.db2.gz KSBDJUJCGNXUBI-GFCCVEGCSA-N 0 3 311.813 2.336 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000876562627 689857672 /nfs/dbraw/zinc/85/76/72/689857672.db2.gz VCZGUHGJAHMTLV-CYBMUJFWSA-N 0 3 307.781 2.222 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001034463123 689859060 /nfs/dbraw/zinc/85/90/60/689859060.db2.gz QONIUAGRRFSARG-HNNXBMFYSA-N 0 3 319.453 2.328 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCC)c(OC)c1 ZINC000876584705 689866313 /nfs/dbraw/zinc/86/63/13/689866313.db2.gz MXVHCFHVEHGPOX-GFCCVEGCSA-N 0 3 312.797 2.180 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC001034484050 689868284 /nfs/dbraw/zinc/86/82/84/689868284.db2.gz WCIJRLWLLKNKKS-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001034490555 689870301 /nfs/dbraw/zinc/87/03/01/689870301.db2.gz LNVQBRCYVBNGFK-CQSZACIVSA-N 0 3 304.438 2.234 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCOc1cccc(Cl)c1 ZINC000876604598 689873464 /nfs/dbraw/zinc/87/34/64/689873464.db2.gz LTLDGBRDFVRMAH-GFCCVEGCSA-N 0 3 303.189 2.305 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001034499683 689874897 /nfs/dbraw/zinc/87/48/97/689874897.db2.gz FOKCGAQETPESFW-SFHVURJKSA-N 0 3 314.429 2.416 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000876646069 689887600 /nfs/dbraw/zinc/88/76/00/689887600.db2.gz RSMBFVLNGXEVHK-GHMZBOCLSA-N 0 3 312.801 2.230 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001034553342 689897304 /nfs/dbraw/zinc/89/73/04/689897304.db2.gz LHYAVDVMQFDMFT-GDBMZVCRSA-N 0 3 304.438 2.070 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000876677161 689898291 /nfs/dbraw/zinc/89/82/91/689898291.db2.gz IRJDWQXSWUNXCJ-QWRGUYRKSA-N 0 3 321.179 2.099 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000876683034 689901127 /nfs/dbraw/zinc/90/11/27/689901127.db2.gz PBBFNQIJTYHFHC-AEGPPILISA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000876708983 689910586 /nfs/dbraw/zinc/91/05/86/689910586.db2.gz GEYQWTURCKLGOV-ZDUSSCGKSA-N 0 3 320.824 2.321 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 ZINC000876722365 689915505 /nfs/dbraw/zinc/91/55/05/689915505.db2.gz SUBIQRFLRDQKLR-CYBMUJFWSA-N 0 3 319.796 2.293 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000876846920 689952829 /nfs/dbraw/zinc/95/28/29/689952829.db2.gz FYHJYFUWNADODE-SNVBAGLBSA-N 0 3 311.744 2.119 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCCOC[C@@H]2CCCO2)c1 ZINC000876899714 689968375 /nfs/dbraw/zinc/96/83/75/689968375.db2.gz PBDRTSDILHZNSY-AWEZNQCLSA-N 0 3 309.797 2.282 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000876902546 689969070 /nfs/dbraw/zinc/96/90/70/689969070.db2.gz NGDJUPJKUWVJLE-UONOGXRCSA-N 0 3 308.809 2.086 20 30 DEEDHN CC(C)[C@@H](CNCc1cc(C#N)cnc1Cl)N1CCOCC1 ZINC000876908600 689970101 /nfs/dbraw/zinc/97/01/01/689970101.db2.gz OPYFXIXPDAXJLE-OAHLLOKOSA-N 0 3 322.840 2.053 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC2CCC3(CC2)OCCO3)c1 ZINC000876940992 689978211 /nfs/dbraw/zinc/97/82/11/689978211.db2.gz DDCBIIJILDUGDY-UHFFFAOYSA-N 0 3 307.781 2.382 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC[C@@H](CO)c2ccccc2)c1 ZINC000877074100 690013067 /nfs/dbraw/zinc/01/30/67/690013067.db2.gz ZGINXBVJHAIWCS-HNNXBMFYSA-N 0 3 301.777 2.472 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001035037577 690017476 /nfs/dbraw/zinc/01/74/76/690017476.db2.gz YWGMIUUZQMYDKH-AEFFLSMTSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CC1(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000931185458 694335474 /nfs/dbraw/zinc/33/54/74/694335474.db2.gz IOKIRCJNGIKWSP-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC(Cn2cncn2)CC1 ZINC000877431106 690110850 /nfs/dbraw/zinc/11/08/50/690110850.db2.gz YYXMEGCORJOANN-UHFFFAOYSA-N 0 3 324.432 2.128 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cnc(C)s1)CC2 ZINC001035664302 690146834 /nfs/dbraw/zinc/14/68/34/690146834.db2.gz PHSXUWIWIWTBCM-UHFFFAOYSA-N 0 3 303.431 2.013 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCO[C@@H]1C)CC2 ZINC001035690806 690153332 /nfs/dbraw/zinc/15/33/32/690153332.db2.gz FMCHWAXBJHPZRV-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@@H]3C[C@@H]31)CC2 ZINC001035741205 690165922 /nfs/dbraw/zinc/16/59/22/690165922.db2.gz LZBGEQZCTQENCT-IKGGRYGDSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccn(C(C)C)n1)CC2 ZINC001035806776 690181727 /nfs/dbraw/zinc/18/17/27/690181727.db2.gz DRZMIJZJRPIIJV-UHFFFAOYSA-N 0 3 314.433 2.025 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCn1cc(C)cn1)CC2 ZINC001035856099 690194192 /nfs/dbraw/zinc/19/41/92/690194192.db2.gz HYPLXLBAMDGMTL-UHFFFAOYSA-N 0 3 316.449 2.082 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@H]1OC)CC2 ZINC001035861797 690196149 /nfs/dbraw/zinc/19/61/49/690196149.db2.gz RDISYVIYEKQXEZ-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1COc3ccccc31)CC2 ZINC001035863394 690196921 /nfs/dbraw/zinc/19/69/21/690196921.db2.gz ZWYNDTBOSMREFQ-KRWDZBQOSA-N 0 3 324.424 2.110 20 30 DEEDHN CC(=O)N1CCC[C@H]([C@H](C)NCc2cc(F)ccc2C#N)C1 ZINC001036327629 690321054 /nfs/dbraw/zinc/32/10/54/690321054.db2.gz QJVGLDXVKAJRMB-WFASDCNBSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)NCc2cnns2)C1 ZINC001036427249 690348436 /nfs/dbraw/zinc/34/84/36/690348436.db2.gz KGHSKBBNVPFLGA-CHWSQXEVSA-N 0 3 322.478 2.467 20 30 DEEDHN Cc1ccc(CN(C)CCCc2[nH]nc(N)c2C#N)nc1Cl ZINC000878309667 690374848 /nfs/dbraw/zinc/37/48/48/690374848.db2.gz OVGRUGJYBVZRGK-UHFFFAOYSA-N 0 3 318.812 2.285 20 30 DEEDHN C[C@@](O)(C[C@@H](O)CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000878365193 690388609 /nfs/dbraw/zinc/38/86/09/690388609.db2.gz TWTOPVIBLJYENN-IAGOWNOFSA-N 0 3 300.402 2.049 20 30 DEEDHN CCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccc(C#N)s2)C1 ZINC001036609292 690398799 /nfs/dbraw/zinc/39/87/99/690398799.db2.gz YKKGCPQYLPXWQR-IUODEOHRSA-N 0 3 303.431 2.453 20 30 DEEDHN O=C(C1CC1)N1CC[C@@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036614245 690401805 /nfs/dbraw/zinc/40/18/05/690401805.db2.gz SEQNPURBSYKMHH-RBUKOAKNSA-N 0 3 308.425 2.371 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3cc(CC)[nH]n3)CC[C@H]21 ZINC001036650421 690420146 /nfs/dbraw/zinc/42/01/46/690420146.db2.gz NETNQCDHFYSLCY-SWLSCSKDSA-N 0 3 322.840 2.261 20 30 DEEDHN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@H](C)N1CC#N ZINC000878773829 690497385 /nfs/dbraw/zinc/49/73/85/690497385.db2.gz KCCIHCJSIPIURN-IYBDPMFKSA-N 0 3 312.417 2.245 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001038322582 690781325 /nfs/dbraw/zinc/78/13/25/690781325.db2.gz AJABJEWJWSBINI-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN C=CCC[C@H](O)CN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080599 690799334 /nfs/dbraw/zinc/79/93/34/690799334.db2.gz YKBJGLATHRLYAI-JKSUJKDBSA-N 0 3 304.390 2.271 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038509455 690844756 /nfs/dbraw/zinc/84/47/56/690844756.db2.gz XLRVTWHQWLOTCH-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001038560443 690858867 /nfs/dbraw/zinc/85/88/67/690858867.db2.gz BHWDVCHDJJOYKE-ZDUSSCGKSA-N 0 3 314.389 2.220 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC001038568143 690861344 /nfs/dbraw/zinc/86/13/44/690861344.db2.gz ULCGUOOYOLKCRL-CQSZACIVSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCOCCN1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880326599 690871250 /nfs/dbraw/zinc/87/12/50/690871250.db2.gz PSAZPNOSYUJLBX-CYBMUJFWSA-N 0 3 322.430 2.067 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)c1 ZINC001038684917 690898416 /nfs/dbraw/zinc/89/84/16/690898416.db2.gz NTYKGZSLUMALST-KRWDZBQOSA-N 0 3 311.429 2.303 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038734747 690909246 /nfs/dbraw/zinc/90/92/46/690909246.db2.gz NCRDLIVPOSARLU-OAHLLOKOSA-N 0 3 300.402 2.392 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(OC)c(OCC)c1 ZINC001038997442 690987215 /nfs/dbraw/zinc/98/72/15/690987215.db2.gz CTDIXVIBQJPGBE-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000881182844 691044277 /nfs/dbraw/zinc/04/42/77/691044277.db2.gz VVGGVIPOKLHVLZ-VXGBXAGGSA-N 0 3 319.434 2.135 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccn(C)c2)C1 ZINC001039197055 691049733 /nfs/dbraw/zinc/04/97/33/691049733.db2.gz IBBXUPFNIGAGAO-WMZOPIPTSA-N 0 3 313.445 2.365 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cocn2)C1 ZINC001039209431 691055139 /nfs/dbraw/zinc/05/51/39/691055139.db2.gz RJCRUICUIRDUQX-GDBMZVCRSA-N 0 3 301.390 2.015 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2oc(C)nc2C)C1 ZINC001039210311 691055477 /nfs/dbraw/zinc/05/54/77/691055477.db2.gz NRJWZJDSLDGDQY-HOTGVXAUSA-N 0 3 315.417 2.241 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccoc2)C1 ZINC001039222185 691058690 /nfs/dbraw/zinc/05/86/90/691058690.db2.gz CGHJYSOSVQLVKB-SJORKVTESA-N 0 3 300.402 2.158 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2nc(C)c[nH]2)C1 ZINC001039229537 691062199 /nfs/dbraw/zinc/06/21/99/691062199.db2.gz FEWAZVFCRBQUAO-CVEARBPZSA-N 0 3 314.433 2.058 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc(F)c[nH]2)C1 ZINC001039231415 691062769 /nfs/dbraw/zinc/06/27/69/691062769.db2.gz WCSIRUQUIDQPFG-RHSMWYFYSA-N 0 3 317.408 2.494 20 30 DEEDHN N#CCOc1ccc(Cn2cc(CNC3CCCC3)nn2)cc1 ZINC000881286305 691063501 /nfs/dbraw/zinc/06/35/01/691063501.db2.gz XRPDDBZRQGGTFC-UHFFFAOYSA-N 0 3 311.389 2.261 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ncccc2F)C1 ZINC001039237279 691064071 /nfs/dbraw/zinc/06/40/71/691064071.db2.gz GQJPPVCZLUYVLW-HOCLYGCPSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc[nH]2)C1 ZINC001039250631 691069576 /nfs/dbraw/zinc/06/95/76/691069576.db2.gz LVSSPHIREAAPPV-AEFFLSMTSA-N 0 3 313.445 2.284 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1CC ZINC001039391541 691096199 /nfs/dbraw/zinc/09/61/99/691096199.db2.gz TVOAXDVCEUGQFK-CABCVRRESA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1OCC2 ZINC001039441902 691106618 /nfs/dbraw/zinc/10/66/18/691106618.db2.gz DXFRSUAAWRQXOM-SJORKVTESA-N 0 3 324.424 2.324 20 30 DEEDHN Cc1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)c(C#N)n1 ZINC000881795194 691163299 /nfs/dbraw/zinc/16/32/99/691163299.db2.gz BDNIDBMEIKMWHO-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)Cc3ccc(C)o3)C2)C1 ZINC001040167961 691207662 /nfs/dbraw/zinc/20/76/62/691207662.db2.gz BUOAKUZUZQEQMC-GOSISDBHSA-N 0 3 300.402 2.078 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCCOCC3)C2)C1 ZINC001040178451 691209135 /nfs/dbraw/zinc/20/91/35/691209135.db2.gz DMWHTRAHPRENIG-HKUYNNGSSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3c(C)cncc3C)C2)C1 ZINC001040291830 691226213 /nfs/dbraw/zinc/22/62/13/691226213.db2.gz HOLALBZWUHVBDV-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC001040319728 691229793 /nfs/dbraw/zinc/22/97/93/691229793.db2.gz JPTVLZZKZGWNDN-SFHVURJKSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cc(O)ccc2Cl)CC1 ZINC000882231448 691241032 /nfs/dbraw/zinc/24/10/32/691241032.db2.gz XZTBXEYQOLEEBR-UHFFFAOYSA-N 0 3 306.793 2.007 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC001040443675 691247978 /nfs/dbraw/zinc/24/79/78/691247978.db2.gz KPGMGZKXKKNBQB-SCTDSRPQSA-N 0 3 300.446 2.370 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(CC=C)C3)nc1 ZINC001040498033 691257212 /nfs/dbraw/zinc/25/72/12/691257212.db2.gz YDQNXSGYNNTRIO-LJQANCHMSA-N 0 3 309.413 2.177 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3cc(Cl)c[nH]3)C2)CC1 ZINC001040599802 691270857 /nfs/dbraw/zinc/27/08/57/691270857.db2.gz YBKDTTSWDFEIIR-UHFFFAOYSA-N 0 3 305.809 2.229 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3cc(C)cc(C)n3)C2)CC1 ZINC001040756809 691285755 /nfs/dbraw/zinc/28/57/55/691285755.db2.gz IDRJCEMWROBSFA-UHFFFAOYSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H](OC)C3)C2)CC1 ZINC001040824522 691290315 /nfs/dbraw/zinc/29/03/15/691290315.db2.gz UMTNJOFWLATAJB-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)C3(C(C)(F)F)CC3)C2)CC1 ZINC001040853377 691293314 /nfs/dbraw/zinc/29/33/14/691293314.db2.gz NOCYMURXMOZEEM-UHFFFAOYSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)CC[C@H]3CC[C@H](C)O3)C2)CC1 ZINC001040947397 691300336 /nfs/dbraw/zinc/30/03/36/691300336.db2.gz WVTLDFPLJSAVPO-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)CC[C@@H]3CC[C@H](C)O3)C2)CC1 ZINC001040947399 691300500 /nfs/dbraw/zinc/30/05/00/691300500.db2.gz WVTLDFPLJSAVPO-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 ZINC001041018393 691314157 /nfs/dbraw/zinc/31/41/57/691314157.db2.gz GIOLQFTUYPYSKK-KRWDZBQOSA-N 0 3 302.443 2.238 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cnc(C)s3)C2)C1 ZINC001041136990 691331352 /nfs/dbraw/zinc/33/13/52/691331352.db2.gz QDUNPQXFTQVOMK-INIZCTEOSA-N 0 3 303.431 2.013 20 30 DEEDHN Cc1ncsc1CN1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001041146642 691333872 /nfs/dbraw/zinc/33/38/72/691333872.db2.gz NWOBPYGTNDMGDJ-WBMJQRKESA-N 0 3 318.446 2.036 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001041273433 691354422 /nfs/dbraw/zinc/35/44/22/691354422.db2.gz NNFOLTVVQRKDTF-OAHLLOKOSA-N 0 3 314.351 2.277 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cc(C)cc(C)n3)C2)C1 ZINC001041428098 691374501 /nfs/dbraw/zinc/37/45/01/691374501.db2.gz MQJRVIPEIXAQNV-LJQANCHMSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cn(C)c4ccccc34)C2)C1 ZINC001041450167 691377022 /nfs/dbraw/zinc/37/70/22/691377022.db2.gz QUWJNRPUXLBDAR-FQEVSTJZSA-N 0 3 321.424 2.350 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc(F)c(C)c3)C2)C1 ZINC001041611941 691401181 /nfs/dbraw/zinc/40/11/81/691401181.db2.gz FSORHRDWTVWZDI-SFHVURJKSA-N 0 3 300.377 2.305 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3sc(C)cc3OC)C2)C1 ZINC001041723921 691417553 /nfs/dbraw/zinc/41/75/53/691417553.db2.gz MHAOFAHUZDXLLG-KRWDZBQOSA-N 0 3 318.442 2.236 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)o3)C2)C1 ZINC001041729526 691419382 /nfs/dbraw/zinc/41/93/82/691419382.db2.gz UJGYDGLBJZEOPH-YJBOKZPZSA-N 0 3 300.402 2.249 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3csc(C(C)C)n3)C2)C1 ZINC001041742796 691422244 /nfs/dbraw/zinc/42/22/44/691422244.db2.gz FBQOELUDDZFMPM-KRWDZBQOSA-N 0 3 317.458 2.438 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cccc4nc[nH]c43)C2)C1 ZINC001041752503 691424266 /nfs/dbraw/zinc/42/42/66/691424266.db2.gz DLGNUCJDZRLZCZ-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 ZINC001041773557 691428042 /nfs/dbraw/zinc/42/80/42/691428042.db2.gz JYDIHCCHWRJILV-HXUWFJFHSA-N 0 3 319.408 2.406 20 30 DEEDHN C#CC[C@@H](CO)NCc1cn(-c2ccccc2Cl)nc1C ZINC000883125695 691434474 /nfs/dbraw/zinc/43/44/74/691434474.db2.gz RFXKZAGTPOMWAK-AWEZNQCLSA-N 0 3 303.793 2.308 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3scnc3Cl)C2)C1 ZINC001041835579 691442002 /nfs/dbraw/zinc/44/20/02/691442002.db2.gz UXEWWNUGXZSQJO-HNNXBMFYSA-N 0 3 323.849 2.358 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC001041841354 691442711 /nfs/dbraw/zinc/44/27/11/691442711.db2.gz LLMKJJXFBCGBEH-DNVCBOLYSA-N 0 3 314.404 2.487 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)n3c(C)ccc3C)C2)C1 ZINC001041844420 691443558 /nfs/dbraw/zinc/44/35/58/691443558.db2.gz HSANRDXJRJNANE-PKOBYXMFSA-N 0 3 313.445 2.224 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)CC3CCC(OC)CC3)C2)C1 ZINC001041862362 691448383 /nfs/dbraw/zinc/44/83/83/691448383.db2.gz YTVRYNSLTACBEJ-FAFZWHIHSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](OC)C3CCCCC3)C2)C1 ZINC001041865184 691449893 /nfs/dbraw/zinc/44/98/93/691449893.db2.gz HNHGAWRZPUMVPR-MJGOQNOKSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc2n1CCOC2 ZINC000883219187 691459496 /nfs/dbraw/zinc/45/94/96/691459496.db2.gz NSISETGQSTXJTG-INIZCTEOSA-N 0 3 312.417 2.475 20 30 DEEDHN C=CCC[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)[C@@H]1CCCO1 ZINC000883233701 691462897 /nfs/dbraw/zinc/46/28/97/691462897.db2.gz NZDMIXUWXYFABN-MELADBBJSA-N 0 3 306.410 2.260 20 30 DEEDHN C=CCC[C@H](NCc1nc([C@H]2CCCO2)n[nH]1)[C@@H]1CCCO1 ZINC000883233701 691462900 /nfs/dbraw/zinc/46/29/00/691462900.db2.gz NZDMIXUWXYFABN-MELADBBJSA-N 0 3 306.410 2.260 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CCc3ccoc3)C[C@@H]21 ZINC001042003432 691483550 /nfs/dbraw/zinc/48/35/50/691483550.db2.gz PJQWVPIUWDIIPJ-IRXDYDNUSA-N 0 3 300.402 2.158 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2CCC3(COC3)CC2)CC1 ZINC000883342042 691484576 /nfs/dbraw/zinc/48/45/76/691484576.db2.gz ITYJUGREABWOOG-UHFFFAOYSA-N 0 3 321.465 2.285 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC(C)(C)CO2)CC1 ZINC000883343634 691485131 /nfs/dbraw/zinc/48/51/31/691485131.db2.gz UGBVVHIVJNYGJB-OAHLLOKOSA-N 0 3 309.454 2.141 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)nc(C)c3)C[C@@H]21 ZINC001042076491 691500488 /nfs/dbraw/zinc/50/04/88/691500488.db2.gz UULQBBKOXOUBDG-AEFFLSMTSA-N 0 3 311.429 2.258 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3cc4ncccc4o3)C[C@H]21 ZINC001042157071 691525264 /nfs/dbraw/zinc/52/52/64/691525264.db2.gz YWFJVAMAINNSGZ-GOEBONIOSA-N 0 3 323.396 2.388 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3occ4c3CCOC4)C[C@H]21 ZINC001042166228 691527752 /nfs/dbraw/zinc/52/77/52/691527752.db2.gz VNPLMOWSIYRETH-CZUORRHYSA-N 0 3 316.401 2.075 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3conc3C3CC3)C[C@H]21 ZINC001042229590 691540428 /nfs/dbraw/zinc/54/04/28/691540428.db2.gz GOGBKOCIGYOGIJ-CZUORRHYSA-N 0 3 313.401 2.112 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccn(C)c3CC)C[C@H]21 ZINC001042235485 691543203 /nfs/dbraw/zinc/54/32/03/691543203.db2.gz YAGSQSPBKYIZED-WMLDXEAASA-N 0 3 301.434 2.310 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C[C@@H]21 ZINC001042240511 691544489 /nfs/dbraw/zinc/54/44/89/691544489.db2.gz MCYMUBYNDKGNFH-CJNGLKHVSA-N 0 3 302.422 2.256 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3cccc(F)c3F)C[C@H]21 ZINC001042249408 691547978 /nfs/dbraw/zinc/54/79/78/691547978.db2.gz KQZJXPVKQAHZBZ-CZUORRHYSA-N 0 3 318.367 2.063 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3nn(C)c(C)c3Cl)C[C@H]21 ZINC001042249809 691548517 /nfs/dbraw/zinc/54/85/17/691548517.db2.gz PULRESOJBSJIIA-CHWSQXEVSA-N 0 3 322.840 2.104 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3ncoc3C3CC3)C[C@@H]21 ZINC001042302395 691563394 /nfs/dbraw/zinc/56/33/94/691563394.db2.gz RRCDOAKBVPOIMW-ZFWWWQNUSA-N 0 3 313.401 2.112 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cnn(C)c3C(F)F)C[C@H]21 ZINC001042306342 691564250 /nfs/dbraw/zinc/56/42/50/691564250.db2.gz GASNVSMKAIRXOZ-DGCLKSJQSA-N 0 3 324.375 2.080 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001042308958 691564965 /nfs/dbraw/zinc/56/49/65/691564965.db2.gz IBMWQBIWJDTYDI-HIFRSBDPSA-N 0 3 316.449 2.430 20 30 DEEDHN C#CC1(F)CN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000883688937 691565276 /nfs/dbraw/zinc/56/52/76/691565276.db2.gz BSJJTMJMVCZIDL-ZFWWWQNUSA-N 0 3 303.381 2.045 20 30 DEEDHN C#CC1(F)CN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000883691713 691566193 /nfs/dbraw/zinc/56/61/93/691566193.db2.gz NPDNUZYWCFCAHG-OLZOCXBDSA-N 0 3 307.369 2.076 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CCc3ccc(C)o3)C[C@@H]21 ZINC001042367278 691584122 /nfs/dbraw/zinc/58/41/22/691584122.db2.gz DSMYDVDBCFYTFZ-WMZOPIPTSA-N 0 3 314.429 2.467 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1c(F)cccc1Cl)C2 ZINC000884070002 691646331 /nfs/dbraw/zinc/64/63/31/691646331.db2.gz VXRRCVBRXPXZPP-NOEPWBJOSA-N 0 3 321.783 2.235 20 30 DEEDHN C[C@H](Cc1ccccc1F)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884080851 691649677 /nfs/dbraw/zinc/64/96/77/691649677.db2.gz HIDISKNZMOFNRT-JHSBQLIOSA-N 0 3 315.392 2.012 20 30 DEEDHN CCc1ccc(CCNC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884113453 691657692 /nfs/dbraw/zinc/65/76/92/691657692.db2.gz RGTXCGVDLMXRPW-HFCFLWKCSA-N 0 3 311.429 2.047 20 30 DEEDHN Cc1ccccc1[C@H]1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884118255 691658905 /nfs/dbraw/zinc/65/89/05/691658905.db2.gz ABVCYUYHMCQNCI-HMFCVHIJSA-N 0 3 323.440 2.450 20 30 DEEDHN C[C@@H]1Cc2ccccc2N(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884127961 691661367 /nfs/dbraw/zinc/66/13/67/691661367.db2.gz QTQQAVGELGVEKS-DOHUUOFWSA-N 0 3 309.413 2.351 20 30 DEEDHN Cc1cccc2c1CC[C@H]2NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884129103 691661502 /nfs/dbraw/zinc/66/15/02/691661502.db2.gz XSCIWDFJNOCWLK-VSOMRHIXSA-N 0 3 309.413 2.238 20 30 DEEDHN C[C@@H]1CCC[C@H](CCNC(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884134782 691663548 /nfs/dbraw/zinc/66/35/48/691663548.db2.gz RJKSETABRZQXME-HJODHOHWSA-N 0 3 303.450 2.458 20 30 DEEDHN Cc1ccc([C@H](C)CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884146367 691666645 /nfs/dbraw/zinc/66/66/45/691666645.db2.gz HTZXSNBQJOAQNU-BBPFYFEFSA-N 0 3 311.429 2.354 20 30 DEEDHN Cc1ccc(C[C@@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)s1 ZINC000884147838 691667213 /nfs/dbraw/zinc/66/72/13/691667213.db2.gz UXRDDEVLICRHIT-DHFKXCJNSA-N 0 3 317.458 2.243 20 30 DEEDHN CCS[C@@H]1CCC[C@@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884170083 691672989 /nfs/dbraw/zinc/67/29/89/691672989.db2.gz PJJMKGBEFMUYIF-IIQDSTNVSA-N 0 3 321.490 2.306 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000884226226 691686991 /nfs/dbraw/zinc/68/69/91/691686991.db2.gz NLCAMPIZIHZSGV-JSGCOSHPSA-N 0 3 307.825 2.323 20 30 DEEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(C)c(C)c1O ZINC000884314728 691708150 /nfs/dbraw/zinc/70/81/50/691708150.db2.gz UDVBHLWVHMLTRX-FVRSWCFKSA-N 0 3 313.401 2.395 20 30 DEEDHN CC1(C)CCC(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884327392 691711045 /nfs/dbraw/zinc/71/10/45/691711045.db2.gz RNEHQRDFASRCJX-CSLYMUCUSA-N 0 3 303.450 2.458 20 30 DEEDHN CCc1onc(C)c1CNC[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001045034406 691932478 /nfs/dbraw/zinc/93/24/78/691932478.db2.gz RGGMFELUUOFENV-HNNXBMFYSA-N 0 3 315.417 2.039 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001045151499 691942196 /nfs/dbraw/zinc/94/21/96/691942196.db2.gz KTQCFWDQWRLWMI-TYNCELHUSA-N 0 3 303.431 2.356 20 30 DEEDHN CN(C[C@@H](O)CC1(C#N)CCC1)C[C@H]1COc2ccccc2O1 ZINC000885946718 691968688 /nfs/dbraw/zinc/96/86/88/691968688.db2.gz OZJRKEXIXCKPEB-GJZGRUSLSA-N 0 3 316.401 2.203 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2ccnn2CC(C)C)CC1 ZINC001045453142 691983152 /nfs/dbraw/zinc/98/31/52/691983152.db2.gz JSBDBJYFKFSEKY-UHFFFAOYSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2nc(C)n3ccccc23)CC1 ZINC001045501212 691989888 /nfs/dbraw/zinc/98/98/88/691989888.db2.gz UETCGBAOBRVQEI-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cccc3oc(=O)[nH]c32)CC1 ZINC001045505447 691990371 /nfs/dbraw/zinc/99/03/71/691990371.db2.gz GHWLYEGGDHCQRC-UHFFFAOYSA-N 0 3 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C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(F)cn1 ZINC001049433102 692882151 /nfs/dbraw/zinc/88/21/51/692882151.db2.gz JSVWNELPZMNJFJ-HOTGVXAUSA-N 0 3 303.381 2.476 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001049476252 692894486 /nfs/dbraw/zinc/89/44/86/692894486.db2.gz ADUKWXUHMMMRGS-VQHPVUNQSA-N 0 3 304.434 2.219 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001049582949 692930973 /nfs/dbraw/zinc/93/09/73/692930973.db2.gz ROZWRWXDZPKOEP-NUJGCVRESA-N 0 3 312.413 2.241 20 30 DEEDHN Cc1cc(NC(=O)NC[C@H]2CCCCN2C2CC2)ncc1C#N ZINC000932155412 694562412 /nfs/dbraw/zinc/56/24/12/694562412.db2.gz DSCXOKLUGLFLSK-OAHLLOKOSA-N 0 3 313.405 2.400 20 30 DEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(OCC)no1 ZINC001049598478 692937512 /nfs/dbraw/zinc/93/75/12/692937512.db2.gz NYBHDJRMDONPHU-KGLIPLIRSA-N 0 3 319.405 2.328 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)nn(C)c1Cl ZINC001049618804 692941390 /nfs/dbraw/zinc/94/13/90/692941390.db2.gz 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C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(CCC)on1 ZINC001049823360 693012422 /nfs/dbraw/zinc/01/24/22/693012422.db2.gz RAWAEMJDVHVRLT-JKSUJKDBSA-N 0 3 303.406 2.492 20 30 DEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(COC)n1 ZINC001049829408 693014845 /nfs/dbraw/zinc/01/48/45/693014845.db2.gz SUOHAIUTRSEVST-CABCVRRESA-N 0 3 319.405 2.076 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Oc1ccccn1 ZINC001049845109 693019344 /nfs/dbraw/zinc/01/93/44/693019344.db2.gz ANJHBAJOVFMUHR-OWCLPIDISA-N 0 3 315.417 2.100 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)CCOCC2 ZINC001049849327 693021909 /nfs/dbraw/zinc/02/19/09/693021909.db2.gz OAOYORHZXHGLDC-IRXDYDNUSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c(C)noc1C ZINC001049893341 693039513 /nfs/dbraw/zinc/03/95/13/693039513.db2.gz ORGDXJAPSMLZOP-JKSUJKDBSA-N 0 3 303.406 2.085 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c2ncccc12 ZINC001049904533 693043120 /nfs/dbraw/zinc/04/31/20/693043120.db2.gz 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317.820 2.296 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3sc(C)nc3C)C2)CC1 ZINC001050748405 693243965 /nfs/dbraw/zinc/24/39/65/693243965.db2.gz PJPFMCXZULZWLN-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cccc4cnccc43)C2)CC1 ZINC001050753770 693245101 /nfs/dbraw/zinc/24/51/01/693245101.db2.gz CMOYJHDWPPRPRO-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)[C@@H]3CCOC3)cccc2C1 ZINC001051281067 693327762 /nfs/dbraw/zinc/32/77/62/693327762.db2.gz DXCXHFJLIJDZLS-QGZVFWFLSA-N 0 3 314.429 2.274 20 30 DEEDHN C[C@@H]1OC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000926115463 693398332 /nfs/dbraw/zinc/39/83/32/693398332.db2.gz KLKBLRHEBOECPO-OQUILHJVSA-N 0 3 313.401 2.067 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N2CCN(CCC)CC2)C1 ZINC001052076333 693438616 /nfs/dbraw/zinc/43/86/16/693438616.db2.gz HYHUQNYIOUNAIN-SJLPKXTDSA-N 0 3 307.482 2.217 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2scnc2CC)CC1 ZINC001052431557 693532796 /nfs/dbraw/zinc/53/27/96/693532796.db2.gz 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C#Cc1ccc(C(=O)N[C@H]2CCCN(C[C@H](F)CC)CC2)cn1 ZINC001052879410 693639343 /nfs/dbraw/zinc/63/93/43/693639343.db2.gz WKNKQRQKVGZDOT-WBVHZDCISA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC001052884677 693640461 /nfs/dbraw/zinc/64/04/61/693640461.db2.gz CYZWJTHKSWHSSC-IRXDYDNUSA-N 0 3 318.461 2.330 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C[C@H]2OCc3ccccc32)CC1 ZINC001052902784 693645109 /nfs/dbraw/zinc/64/51/09/693645109.db2.gz DVCXAMVQAREHCV-FUHWJXTLSA-N 0 3 312.413 2.252 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2(O)CCC2)C1 ZINC001053084506 693686723 /nfs/dbraw/zinc/68/67/23/693686723.db2.gz RTNCVDGQKDFSGH-SJORKVTESA-N 0 3 318.461 2.018 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2c[nH]nc2C)C1 ZINC001053091979 693688197 /nfs/dbraw/zinc/68/81/97/693688197.db2.gz DMIQZEMFEZGKKF-RDJZCZTQSA-N 0 3 314.433 2.058 20 30 DEEDHN CC(C)(C)NC(=O)[C@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000932433443 694613149 /nfs/dbraw/zinc/61/31/49/694613149.db2.gz 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/nfs/dbraw/zinc/03/78/14/1151037814.db2.gz RLVLGGAWZMETAV-UHFFFAOYSA-N 0 3 311.332 2.175 20 30 DEEDHN C=C(C)C[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C(=O)OCC ZINC001349848971 1151297998 /nfs/dbraw/zinc/29/79/98/1151297998.db2.gz GGWIMGOIPXQRMQ-JKSUJKDBSA-N 0 3 316.401 2.235 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2scnc2C)C1 ZINC001402633726 1162419848 /nfs/dbraw/zinc/41/98/48/1162419848.db2.gz MUEFLGQOFQCQFJ-TXEJJXNPSA-N 0 3 313.854 2.373 20 30 DEEDHN N#Cc1cccc(NC(=O)CCNCC#C[C@H]2CCCCO2)c1 ZINC001353378808 1151827617 /nfs/dbraw/zinc/82/76/17/1151827617.db2.gz XKDBUAFRURJLQV-QGZVFWFLSA-N 0 3 311.385 2.049 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001480515115 1151836533 /nfs/dbraw/zinc/83/65/33/1151836533.db2.gz CQGSYQLNZMGTNO-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC001300395891 1151850049 /nfs/dbraw/zinc/85/00/49/1151850049.db2.gz GOMFGMWIHMICHB-QLFBSQMISA-N 0 3 322.449 2.051 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001354201825 1151876900 /nfs/dbraw/zinc/87/69/00/1151876900.db2.gz DWIRBHPFRUBSLK-YMAMQOFZSA-N 0 3 323.481 2.082 20 30 DEEDHN C#C[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2CC=C)C1 ZINC001356047593 1152054124 /nfs/dbraw/zinc/05/41/24/1152054124.db2.gz SSHQONQFPTVBSR-HZPDHXFCSA-N 0 3 313.449 2.123 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001357193019 1152267274 /nfs/dbraw/zinc/26/72/74/1152267274.db2.gz YSZSQUXTNOFOQG-VXGBXAGGSA-N 0 3 308.344 2.240 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc([C@H](C)CC(N)=O)cc1 ZINC001358443866 1152386297 /nfs/dbraw/zinc/38/62/97/1152386297.db2.gz FMFBWHHCLUCNRN-IUODEOHRSA-N 0 3 303.406 2.288 20 30 DEEDHN C[C@H](CNC(=O)c1cncs1)N(C)Cc1ccc(C#N)cc1 ZINC001381488994 1153086060 /nfs/dbraw/zinc/08/60/60/1153086060.db2.gz IGFSQNFKQGTKRJ-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC001362849073 1153113439 /nfs/dbraw/zinc/11/34/39/1153113439.db2.gz 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/nfs/dbraw/zinc/62/43/16/1155624316.db2.gz QNXGHQACPXXVDA-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@H](CNC(=O)C1(C)CCC1)NCc1ccc(C#N)c(F)c1 ZINC001390454874 1155727957 /nfs/dbraw/zinc/72/79/57/1155727957.db2.gz CMSGWRMJNRUDJG-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NCc1ccc(C#N)s1 ZINC001390463831 1155735051 /nfs/dbraw/zinc/73/50/51/1155735051.db2.gz ZAQHLHHSASLYGV-WUHRBBMRSA-N 0 3 303.431 2.260 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H]1CC(C)(C)CO1 ZINC001371802967 1156022088 /nfs/dbraw/zinc/02/20/88/1156022088.db2.gz IQXWXQWYCRFXCS-STQMWFEESA-N 0 3 302.846 2.429 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)NCc1ccc(C#N)c(F)c1 ZINC001391722722 1156739965 /nfs/dbraw/zinc/73/99/65/1156739965.db2.gz UWGZKFKCJNGIDU-GLQYFDAESA-N 0 3 303.381 2.338 20 30 DEEDHN CCC(=O)NCC1(NCc2cc(C#N)ccc2OC)CCCC1 ZINC001391992803 1156845741 /nfs/dbraw/zinc/84/57/41/1156845741.db2.gz XKCCOGHNAMQEFX-UHFFFAOYSA-N 0 3 315.417 2.495 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cnn(C)c2C)CCCC1 ZINC001392006660 1156848172 /nfs/dbraw/zinc/84/81/72/1156848172.db2.gz BZCKCUONSZQYNC-UHFFFAOYSA-N 0 3 324.856 2.042 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)C1(C)CC1)C(C)C ZINC001392220921 1156896519 /nfs/dbraw/zinc/89/65/19/1156896519.db2.gz OCTXKKQPQUHAMP-LLVKDONJSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(CCC)n[nH]1)C(C)C ZINC001392229249 1156899063 /nfs/dbraw/zinc/89/90/63/1156899063.db2.gz TVFFMJBQCMKPEJ-AWEZNQCLSA-N 0 3 312.845 2.459 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C1(COC)CCC1)C(C)C ZINC001392229373 1156899155 /nfs/dbraw/zinc/89/91/55/1156899155.db2.gz NRCKPMBXGPEDQD-CYBMUJFWSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001373303526 1156955268 /nfs/dbraw/zinc/95/52/68/1156955268.db2.gz XYXPCZDFLGCNOW-GXTWGEPZSA-N 0 3 324.856 2.121 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001373303526 1156955276 /nfs/dbraw/zinc/95/52/76/1156955276.db2.gz XYXPCZDFLGCNOW-GXTWGEPZSA-N 0 3 324.856 2.121 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001392889509 1157516141 /nfs/dbraw/zinc/51/61/41/1157516141.db2.gz LUJVQGVMYIUHLA-SNVBAGLBSA-N 0 3 309.772 2.377 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001403403832 1162874000 /nfs/dbraw/zinc/87/40/00/1162874000.db2.gz IHXSYFMIHPZDCC-XDQVBPFNSA-N 0 3 300.830 2.038 20 30 DEEDHN CC(=O)CCCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001374728734 1157986720 /nfs/dbraw/zinc/98/67/20/1157986720.db2.gz XYAWTHJZJHRGCY-GFCCVEGCSA-N 0 3 319.380 2.051 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccco1)NCc1ccc(C#N)s1 ZINC001403511815 1162921612 /nfs/dbraw/zinc/92/16/12/1162921612.db2.gz GXTYPUMGVLUUQV-NSHDSACASA-N 0 3 303.387 2.463 20 30 DEEDHN CC(C)n1ccc(CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001394014396 1158163420 /nfs/dbraw/zinc/16/34/20/1158163420.db2.gz GBGGDLQEYNXSRU-AWEZNQCLSA-N 0 3 319.453 2.198 20 30 DEEDHN COCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001375110623 1158324273 /nfs/dbraw/zinc/32/42/73/1158324273.db2.gz MYWPFPXQLQZOFZ-AWEZNQCLSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2cnccc2C)C1 ZINC001394376666 1158449194 /nfs/dbraw/zinc/44/91/94/1158449194.db2.gz TUONFBRSRVDORI-CTYIDZIISA-N 0 3 307.825 2.169 20 30 DEEDHN Cc1noc(C)c1CNC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001394811390 1158800601 /nfs/dbraw/zinc/80/06/01/1158800601.db2.gz NFTPERUBSDWAGS-YGRLFVJLSA-N 0 3 306.410 2.072 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)c2ccco2)C[C@H]1OCC ZINC001375589510 1158822222 /nfs/dbraw/zinc/82/22/22/1158822222.db2.gz HZBXJQPLXYENSL-TZMCWYRMSA-N 0 3 312.797 2.099 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001376022337 1159055951 /nfs/dbraw/zinc/05/59/51/1159055951.db2.gz UMFLBSBGSILAFA-STQMWFEESA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CN(C)C(=O)CCCn1ccnc1C ZINC001403604839 1163042312 /nfs/dbraw/zinc/04/23/12/1163042312.db2.gz FVUASARROTYQJJ-ZDUSSCGKSA-N 0 3 312.845 2.161 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCC(NCc2ccncc2Cl)CC1 ZINC001376666687 1159656122 /nfs/dbraw/zinc/65/61/22/1159656122.db2.gz QWTWFECAZOSUCK-XGNXJENSSA-N 0 3 320.824 2.412 20 30 DEEDHN CC[C@H](C)CNCc1nc2c(s1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001397808905 1160534721 /nfs/dbraw/zinc/53/47/21/1160534721.db2.gz HQIFAJORFTUWGK-NWDGAFQWSA-N 0 3 320.462 2.323 20 30 DEEDHN Cc1cc(CN2CC[C@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C2)on1 ZINC001397813872 1160537389 /nfs/dbraw/zinc/53/73/89/1160537389.db2.gz QGXGDCROTDBSCV-JSGCOSHPSA-N 0 3 318.421 2.250 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001398891383 1161139563 /nfs/dbraw/zinc/13/95/63/1161139563.db2.gz MRXDWIJTHXFITJ-SMDDNHRTSA-N 0 3 309.435 2.029 20 30 DEEDHN CC[C@@H](SC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001398931717 1161156363 /nfs/dbraw/zinc/15/63/63/1161156363.db2.gz SUGLXRWULUKYNC-XHDPSFHLSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnn3c2CCC3)CCCC1 ZINC001401183487 1161888871 /nfs/dbraw/zinc/88/88/71/1161888871.db2.gz XJGXRZKIFFGORL-UHFFFAOYSA-N 0 3 322.840 2.214 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NCc1cc(F)ccc1F ZINC001401318281 1161928104 /nfs/dbraw/zinc/92/81/04/1161928104.db2.gz NRXMLCGDFFUAIK-ABAIWWIYSA-N 0 3 309.360 2.355 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)C(C)C ZINC001401341989 1161938903 /nfs/dbraw/zinc/93/89/03/1161938903.db2.gz IXMHNSHXRCSFLK-CQSZACIVSA-N 0 3 310.829 2.384 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001401738412 1162101627 /nfs/dbraw/zinc/10/16/27/1162101627.db2.gz VJEHIXZQZYAQFF-KGLIPLIRSA-N 0 3 319.474 2.494 20 30 DEEDHN C=C(Cl)CN1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001402085744 1162241776 /nfs/dbraw/zinc/24/17/76/1162241776.db2.gz ZMFVYMYKIIWJNJ-ZDUSSCGKSA-N 0 3 313.873 2.051 20 30 DEEDHN CCN(CCNC(=O)[C@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC001403848727 1163249026 /nfs/dbraw/zinc/24/90/26/1163249026.db2.gz DDGKFDPATKHPOC-CQSZACIVSA-N 0 3 307.344 2.152 20 30 DEEDHN COCC1(CC(=O)N[C@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001406352744 1164549503 /nfs/dbraw/zinc/54/95/03/1164549503.db2.gz LOEXZGHUFRIUCM-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(F)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001406453142 1164613348 /nfs/dbraw/zinc/61/33/48/1164613348.db2.gz MAFUPNFDQRBQAA-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@H](CN(C)CCOc1cccc(Cl)c1)NC(=O)[C@@H](C)C#N ZINC001406597248 1164716295 /nfs/dbraw/zinc/71/62/95/1164716295.db2.gz XZKYCFJMLXHNGS-QWHCGFSZSA-N 0 3 323.824 2.315 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(C)(NC/C(Cl)=C\Cl)CC1 ZINC001408089715 1165471367 /nfs/dbraw/zinc/47/13/67/1165471367.db2.gz QEYAOGPNXYHJJG-VUBLIPMDSA-N 0 3 304.221 2.436 20 30 DEEDHN C[C@@H](CCNC(=O)c1cc[nH]c1)NCc1cc(C#N)ccc1F ZINC001408200968 1165529743 /nfs/dbraw/zinc/52/97/43/1165529743.db2.gz IXQPEHOICRGAQF-LBPRGKRZSA-N 0 3 314.364 2.324 20 30 DEEDHN CCOCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001408299275 1165571047 /nfs/dbraw/zinc/57/10/47/1165571047.db2.gz AEQDXIQYCBSHGI-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCc3ccccc3[C@H]2CO)c1 ZINC001413960334 1165699133 /nfs/dbraw/zinc/69/91/33/1165699133.db2.gz ZIRWGCLLYZBTAN-MOPGFXCFSA-N 0 3 308.381 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCC2CCOCC2)C1 ZINC001417795438 1167218925 /nfs/dbraw/zinc/21/89/25/1167218925.db2.gz DJOUNTPERSNMTB-SHTZXODSSA-N 0 3 314.857 2.430 20 30 DEEDHN Cc1ncsc1CN1CCC2(C[C@@H]2NC(=O)[C@H](C)C#N)CC1 ZINC001417957170 1167327308 /nfs/dbraw/zinc/32/73/08/1167327308.db2.gz SRKVKSQBJIFFSV-RISCZKNCSA-N 0 3 318.446 2.082 20 30 DEEDHN CC[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001418085701 1167402914 /nfs/dbraw/zinc/40/29/14/1167402914.db2.gz LUJBXQFPDRJVHR-WQVCFCJDSA-N 0 3 315.417 2.350 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H]1CC1(C)C ZINC001418394631 1167623526 /nfs/dbraw/zinc/62/35/26/1167623526.db2.gz VELJYHUYFRUIFN-GHMZBOCLSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1[nH]ncc1C(F)(F)F ZINC001418397155 1167625307 /nfs/dbraw/zinc/62/53/07/1167625307.db2.gz FWPYDCWCBHUYAY-MRVPVSSYSA-N 0 3 324.734 2.279 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001419548316 1168590050 /nfs/dbraw/zinc/59/00/50/1168590050.db2.gz UTHCCXGPHROTAX-WMLDXEAASA-N 0 3 310.401 2.046 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)CCN(C)C(=O)[C@@H](C)C#N)c1 ZINC001419953719 1168999952 /nfs/dbraw/zinc/99/99/52/1168999952.db2.gz NOYVOQBNEQWGLO-INIZCTEOSA-N 0 3 317.433 2.232 20 30 DEEDHN COCCC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001420009920 1169058402 /nfs/dbraw/zinc/05/84/02/1169058402.db2.gz POUKEENMKDYPBZ-SJORKVTESA-N 0 3 315.417 2.112 20 30 DEEDHN CCN1C[C@H](NC(=O)c2ncc(C#N)cc2Cl)C(C)(C)C1 ZINC001420061553 1169124357 /nfs/dbraw/zinc/12/43/57/1169124357.db2.gz ZAAZIILGSYWWDW-LBPRGKRZSA-N 0 3 306.797 2.067 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2c(c1)ncn2C ZINC001420094005 1169157182 /nfs/dbraw/zinc/15/71/82/1169157182.db2.gz JIIGIKUJWZGQTO-LBPRGKRZSA-N 0 3 320.824 2.424 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2c(c1)ncn2C ZINC001420094000 1169157951 /nfs/dbraw/zinc/15/79/51/1169157951.db2.gz JIIGIKUJWZGQTO-GFCCVEGCSA-N 0 3 320.824 2.424 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(C2CC2)CC1 ZINC001420432068 1169540329 /nfs/dbraw/zinc/54/03/29/1169540329.db2.gz PGLBHAJJGZRCQZ-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN(C)CCC ZINC001421631221 1171875937 /nfs/dbraw/zinc/87/59/37/1171875937.db2.gz GQJFQLNXXIWUSR-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN CO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001421838750 1172033789 /nfs/dbraw/zinc/03/37/89/1172033789.db2.gz PILFMKMKFROUKJ-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN CCCC(=O)N(C)[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001421873519 1172076039 /nfs/dbraw/zinc/07/60/39/1172076039.db2.gz ABRSEKXUULRPCI-CYBMUJFWSA-N 0 3 303.406 2.303 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)[C@@H]1C[C@H]1C ZINC001422866677 1172889891 /nfs/dbraw/zinc/88/98/91/1172889891.db2.gz JZKWJEWVJQMZEA-JKIFEVAISA-N 0 3 315.417 2.181 20 30 DEEDHN C[C@@]1(CNCc2ccccc2C#N)CCN(C(=O)c2cocn2)C1 ZINC001423634084 1173457794 /nfs/dbraw/zinc/45/77/94/1173457794.db2.gz LZIONIKYAHHTGH-SFHVURJKSA-N 0 3 324.384 2.188 20 30 DEEDHN CC1(CNC(=O)c2cc(C#N)c[nH]2)CCN(C/C=C/Cl)CC1 ZINC001423665324 1173476943 /nfs/dbraw/zinc/47/69/43/1173476943.db2.gz DUQSBAUAVMDQKW-GORDUTHDSA-N 0 3 320.824 2.471 20 30 DEEDHN C[C@H](CNC(=O)c1ccsn1)N(C)Cc1cccc(C#N)c1 ZINC001424976367 1174072876 /nfs/dbraw/zinc/07/28/76/1174072876.db2.gz DRLFZVHOMKQLLS-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)OCC2CC2)C1 ZINC001425389212 1174304464 /nfs/dbraw/zinc/30/44/64/1174304464.db2.gz FSRNFXJLTJXKBX-UBHSHLNASA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001425414678 1174310933 /nfs/dbraw/zinc/31/09/33/1174310933.db2.gz FDYXDKBUSRHLMZ-UMVBOHGHSA-N 0 3 307.825 2.422 20 30 DEEDHN CCc1onc(C)c1CNC[C@@H](C1CC1)N(C)C(=O)[C@@H](C)C#N ZINC001425477690 1174334219 /nfs/dbraw/zinc/33/42/19/1174334219.db2.gz IWYUIANCIQUBRO-NHYWBVRUSA-N 0 3 318.421 2.032 20 30 DEEDHN C[C@H](CN(C)C(=O)C(C)(F)F)NCc1ccc(C#N)c(F)c1 ZINC001425532676 1174354457 /nfs/dbraw/zinc/35/44/57/1174354457.db2.gz UMANDMWKIVCTQG-SNVBAGLBSA-N 0 3 313.323 2.289 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)c1 ZINC001436382382 1179072317 /nfs/dbraw/zinc/07/23/17/1179072317.db2.gz KZWAARNNQRJEMI-UMVBOHGHSA-N 0 3 303.381 2.278 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2cccnc2)CC(C)(C)C1 ZINC001436498582 1179152301 /nfs/dbraw/zinc/15/23/01/1179152301.db2.gz JXYXUYWBJZXIRZ-GOEBONIOSA-N 0 3 314.433 2.348 20 30 DEEDHN Cc1ncsc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001437113536 1179426126 /nfs/dbraw/zinc/42/61/26/1179426126.db2.gz XVQLUYOIBZWSAV-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2c(n1)CCCC2 ZINC001437382538 1179775694 /nfs/dbraw/zinc/77/56/94/1179775694.db2.gz LFDTYKOVVDBQFP-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc2c(c1)COC2 ZINC001437419682 1179796608 /nfs/dbraw/zinc/79/66/08/1179796608.db2.gz DRROPDRADYUDJF-ZDUSSCGKSA-N 0 3 322.836 2.496 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2ncccc2c1 ZINC001437659577 1179880357 /nfs/dbraw/zinc/88/03/57/1179880357.db2.gz NJMPXIWCSYDQEV-YOEHRIQHSA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnc(C)nc2C)CCCC1 ZINC001438395451 1180389713 /nfs/dbraw/zinc/38/97/13/1180389713.db2.gz MWLQWCVCYXFUOV-UHFFFAOYSA-N 0 3 322.840 2.478 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)COc1cccnc1)C1CC1 ZINC001438426814 1180411152 /nfs/dbraw/zinc/41/11/52/1180411152.db2.gz XSORMRYXQUDNBX-MRXNPFEDSA-N 0 3 323.824 2.087 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccn(CC)n1)C1CC1 ZINC001438426282 1180411634 /nfs/dbraw/zinc/41/16/34/1180411634.db2.gz SOAJITKATAOVPH-OAHLLOKOSA-N 0 3 310.829 2.144 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001439315382 1181014714 /nfs/dbraw/zinc/01/47/14/1181014714.db2.gz ULTFFWBKFJNQAA-KGLIPLIRSA-N 0 3 310.401 2.331 20 30 DEEDHN CCc1nc(CNC[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001439888438 1181291725 /nfs/dbraw/zinc/29/17/25/1181291725.db2.gz OMHZRACUQFMFCO-BLLLJJGKSA-N 0 3 320.462 2.193 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC2CC(OCC)C2)C1 ZINC001440350988 1181460291 /nfs/dbraw/zinc/46/02/91/1181460291.db2.gz TZSOKIFWEAEZTC-GZYXLSHKSA-N 0 3 314.857 2.429 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(F)c(F)c1 ZINC001440428545 1181507279 /nfs/dbraw/zinc/50/72/79/1181507279.db2.gz PGRFNJKEEGEHDT-GFCCVEGCSA-N 0 3 309.360 2.405 20 30 DEEDHN COc1ccc(CN(C)CCCN(C)C(=O)[C@@H](C)C#N)cc1F ZINC001440431085 1181512260 /nfs/dbraw/zinc/51/22/60/1181512260.db2.gz UCQDSGKZRJISDN-ZDUSSCGKSA-N 0 3 321.396 2.274 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C2(CC)CCC2)CC1 ZINC001440625836 1181617329 /nfs/dbraw/zinc/61/73/29/1181617329.db2.gz QKYUCAOIOXCHTF-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2coc(CCC)n2)C1 ZINC001440762581 1181679415 /nfs/dbraw/zinc/67/94/15/1181679415.db2.gz YLAVTCSYXGANMO-UHFFFAOYSA-N 0 3 311.813 2.478 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1CCOCC1 ZINC001440783685 1181690777 /nfs/dbraw/zinc/69/07/77/1181690777.db2.gz ZWNLNNHIMKBMSF-NEPJUHHUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)Cn1ccnc1C(C)C ZINC001440840325 1181721658 /nfs/dbraw/zinc/72/16/58/1181721658.db2.gz DHGJACVLKRHPEV-CHWSQXEVSA-N 0 3 312.845 2.242 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C#N)N(C)CCc1c(F)cccc1F ZINC001440916935 1181771734 /nfs/dbraw/zinc/77/17/34/1181771734.db2.gz REANVRXFNMZRMP-NWDGAFQWSA-N 0 3 309.360 2.103 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001441158351 1181876148 /nfs/dbraw/zinc/87/61/48/1181876148.db2.gz VHJRYNFBWLPXIQ-HNNXBMFYSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@@H](CNC(=O)CCC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001441790079 1182164290 /nfs/dbraw/zinc/16/42/90/1182164290.db2.gz PXNZSRKMHVXGRH-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441917398 1182249218 /nfs/dbraw/zinc/24/92/18/1182249218.db2.gz KSSSKXCTQVBFQD-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN CCCC(=O)NC[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC001442841881 1182740526 /nfs/dbraw/zinc/74/05/26/1182740526.db2.gz XSNRAPTYNMQLOO-OAHLLOKOSA-N 0 3 315.417 2.305 20 30 DEEDHN Cc1cccc(OCCN(CCNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001442996527 1182822916 /nfs/dbraw/zinc/82/29/16/1182822916.db2.gz SAWYTGLXYWKSFC-OAHLLOKOSA-N 0 3 315.417 2.114 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CCNC(=O)C3CC3)C2)cc1F ZINC001443201883 1182879022 /nfs/dbraw/zinc/87/90/22/1182879022.db2.gz GABZZQZKNIXNTG-CYBMUJFWSA-N 0 3 315.392 2.436 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CCNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001443234811 1182889050 /nfs/dbraw/zinc/88/90/50/1182889050.db2.gz AZULNDXAXULPIY-OCCSQVGLSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CCNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001443234811 1182889054 /nfs/dbraw/zinc/88/90/54/1182889054.db2.gz AZULNDXAXULPIY-OCCSQVGLSA-N 0 3 324.856 2.169 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001443322097 1182926739 /nfs/dbraw/zinc/92/67/39/1182926739.db2.gz UTZNKPGMKCFLHK-TZMCWYRMSA-N 0 3 306.385 2.028 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C)c(CC)[nH]c2=O)CC1 ZINC001443527998 1183016818 /nfs/dbraw/zinc/01/68/18/1183016818.db2.gz DBNRWPPMCJJJMP-UHFFFAOYSA-N 0 3 303.406 2.038 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)C#N)NCc1cccc(C(C)C)n1 ZINC001443890451 1183186136 /nfs/dbraw/zinc/18/61/36/1183186136.db2.gz CEJDCLSCBNXKJR-UONOGXRCSA-N 0 3 302.422 2.349 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H](C)n1ccc(C)n1 ZINC001447658286 1184838489 /nfs/dbraw/zinc/83/84/89/1184838489.db2.gz INCLQIOGMRPJPN-GXTWGEPZSA-N 0 3 312.845 2.380 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001448505680 1185263305 /nfs/dbraw/zinc/26/33/05/1185263305.db2.gz VLMSOYNYFMHHMI-AAVRWANBSA-N 0 3 300.830 2.181 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H](NCc2ccnn2C)C[C@H]1C ZINC001332016578 1149808397 /nfs/dbraw/zinc/80/83/97/1149808397.db2.gz VYKSDKUEGRMCDZ-HZPDHXFCSA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)c3nccs3)CCC[C@H]12 ZINC001332113784 1149820841 /nfs/dbraw/zinc/82/08/41/1149820841.db2.gz SXQXODLLQBJWFF-XJKSGUPXSA-N 0 3 321.446 2.073 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)COCc2cc(C)on2)[C@@H]1C ZINC001332184067 1149831277 /nfs/dbraw/zinc/83/12/77/1149831277.db2.gz HAVPOLBFWVXWIY-HOCLYGCPSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccsc3COC)C2)C1 ZINC001072854063 790274673 /nfs/dbraw/zinc/27/46/73/790274673.db2.gz BMCPYXFAZVOQCQ-UHFFFAOYSA-N 0 3 306.431 2.228 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCCn2ccnc2C)[C@@H]1C ZINC001332206084 1149835206 /nfs/dbraw/zinc/83/52/06/1149835206.db2.gz MUFQDSHTHVRRBJ-HOCLYGCPSA-N 0 3 304.438 2.127 20 30 DEEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000176539539 782520703 /nfs/dbraw/zinc/52/07/03/782520703.db2.gz BBMAOIHCBKYHMD-HNNXBMFYSA-N 0 3 300.358 2.377 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001099199699 782522537 /nfs/dbraw/zinc/52/25/37/782522537.db2.gz OYBWIHITLRHKMC-YOEHRIQHSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cc(C)ccc3OC)C2)C1 ZINC001072902679 790295749 /nfs/dbraw/zinc/29/57/49/790295749.db2.gz WLAGVPMAOKGELX-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CCc1ncccn1)C(C)C ZINC001332734939 1149886234 /nfs/dbraw/zinc/88/62/34/1149886234.db2.gz GMQQCDCQGNOXAF-UHFFFAOYSA-N 0 3 304.438 2.154 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@@H]1COc2ccccc21)C(C)C ZINC001332741070 1149887193 /nfs/dbraw/zinc/88/71/93/1149887193.db2.gz SMUPKRPVBIXUOH-QGZVFWFLSA-N 0 3 314.429 2.355 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106564379 782783285 /nfs/dbraw/zinc/78/32/85/782783285.db2.gz ZCQSOIBILHVCPM-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCC(C)=O)C[C@H](C)O2 ZINC001111535994 782799716 /nfs/dbraw/zinc/79/97/16/782799716.db2.gz WQBCPGVJHMGTKO-INIZCTEOSA-N 0 3 322.449 2.014 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCOCC2)CC(C)(C)C1 ZINC001089370190 783053856 /nfs/dbraw/zinc/05/38/56/783053856.db2.gz NDNUFTCEVYSARI-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C[C@@H]1C ZINC000947353356 783087085 /nfs/dbraw/zinc/08/70/85/783087085.db2.gz VVSMQNFRSATHKC-JQWIXIFHSA-N 0 3 312.364 2.355 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C[C@H]1C ZINC000947436445 783135431 /nfs/dbraw/zinc/13/54/31/783135431.db2.gz IYTPYTZNKKTZOC-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc3cccnc3c2)C[C@H]1C ZINC000947442375 783136720 /nfs/dbraw/zinc/13/67/20/783136720.db2.gz UXYARBXNTKQXIL-QAPCUYQASA-N 0 3 321.424 2.380 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccn3ccnc23)CC(C)(C)C1 ZINC001089517810 783178996 /nfs/dbraw/zinc/17/89/96/783178996.db2.gz UVYCANRZIZAPQQ-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(Cl)no2)CC(C)(C)C1 ZINC001089544590 783194817 /nfs/dbraw/zinc/19/48/17/783194817.db2.gz VVTJKNZTTXNTBJ-NSHDSACASA-N 0 3 309.797 2.182 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C[C@@H]1C ZINC000947663846 783200138 /nfs/dbraw/zinc/20/01/38/783200138.db2.gz ZPHKDZULYHVQHA-BBRMVZONSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccn2CC)CC(C)(C)C1 ZINC001089563411 783211291 /nfs/dbraw/zinc/21/12/91/783211291.db2.gz QZFDXWFZVSLHAW-OAHLLOKOSA-N 0 3 301.434 2.362 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCOCC3)CC(C)(C)C1 ZINC001089570234 783218292 /nfs/dbraw/zinc/21/82/92/783218292.db2.gz LJPKUBAEDHKQJX-HOTGVXAUSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(F)c2F)C[C@@H]1C ZINC000947754961 783223392 /nfs/dbraw/zinc/22/33/92/783223392.db2.gz WBCLRQOMFJSAPK-DZGCQCFKSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC000947778872 783230326 /nfs/dbraw/zinc/23/03/26/783230326.db2.gz KQSAZPGJXQAANH-KBPBESRZSA-N 0 3 323.396 2.156 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C[C@@H]1C ZINC000947778874 783230439 /nfs/dbraw/zinc/23/04/39/783230439.db2.gz KQSAZPGJXQAANH-UONOGXRCSA-N 0 3 323.396 2.156 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H](O)C1 ZINC001090541758 790342516 /nfs/dbraw/zinc/34/25/16/790342516.db2.gz XWPHMLMOEIOTGM-JKSUJKDBSA-N 0 3 322.836 2.010 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(CCC)[nH]c(=O)c3)C2)C1 ZINC001073044417 790414898 /nfs/dbraw/zinc/41/48/98/790414898.db2.gz SXTVNKZWOCAIJX-UHFFFAOYSA-N 0 3 315.417 2.074 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccccc3COC)C2)C1 ZINC001073052300 790418390 /nfs/dbraw/zinc/41/83/90/790418390.db2.gz MUOJGQCALFCLEU-UHFFFAOYSA-N 0 3 314.429 2.096 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001171022492 790450121 /nfs/dbraw/zinc/45/01/21/790450121.db2.gz NIAMHYZSPRTVMU-CQSZACIVSA-N 0 3 321.469 2.182 20 30 DEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1COC)C2 ZINC001098199360 776538663 /nfs/dbraw/zinc/53/86/63/776538663.db2.gz VMIXDJJZAFELLH-XPKDYRNWSA-N 0 3 319.405 2.122 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C)c2C)[C@H](O)C1 ZINC001090772856 790511502 /nfs/dbraw/zinc/51/15/02/790511502.db2.gz BLSLJLBGQMASEW-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CCCCC1 ZINC001111483897 777198919 /nfs/dbraw/zinc/19/89/19/777198919.db2.gz PIMXMOJGZCTFSH-ZACQAIPSSA-N 0 3 318.461 2.064 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001167536625 777293573 /nfs/dbraw/zinc/29/35/73/777293573.db2.gz UTBCMAQLTHVVLR-CHWSQXEVSA-N 0 3 300.830 2.040 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)CCCOC)C[C@H]1c1ccccc1 ZINC001211542016 777330080 /nfs/dbraw/zinc/33/00/80/777330080.db2.gz UMEADJDKDRLWSP-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C ZINC001104417508 777351972 /nfs/dbraw/zinc/35/19/72/777351972.db2.gz RVIZUCKIMBAPBV-TZMCWYRMSA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cccc(OC)n2)CC1 ZINC001167599245 777374735 /nfs/dbraw/zinc/37/47/35/777374735.db2.gz CLWMOWQGNZDDRA-UHFFFAOYSA-N 0 3 323.824 2.332 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H](C)c3ccccc3)[C@H]2C1 ZINC001083254008 777427418 /nfs/dbraw/zinc/42/74/18/777427418.db2.gz VUJCDCNKGYKOHO-BPQIPLTHSA-N 0 3 314.429 2.278 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)[C@H](O)C1 ZINC001090790235 790540269 /nfs/dbraw/zinc/54/02/69/790540269.db2.gz LRVCWNNSCOQKLM-IAGOWNOFSA-N 0 3 316.445 2.353 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211581965 777482011 /nfs/dbraw/zinc/48/20/11/777482011.db2.gz XCOPHNLEPXHMCC-DLBZAZTESA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCCCC(=O)NCC1CC(N[C@@H](C)c2cnccn2)C1 ZINC001100623256 777483199 /nfs/dbraw/zinc/48/31/99/777483199.db2.gz GAGRXUHXVQHSRK-NFOMZHRRSA-N 0 3 302.422 2.378 20 30 DEEDHN CC[C@H](SC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001125739645 777612524 /nfs/dbraw/zinc/61/25/24/777612524.db2.gz LIQWKIFMBBEARO-AWEZNQCLSA-N 0 3 309.410 2.045 20 30 DEEDHN N#Cc1ccc(C(=O)NCCNCc2ccc(Cl)s2)[nH]1 ZINC001125776226 777647272 /nfs/dbraw/zinc/64/72/72/777647272.db2.gz JRUOIJXMBLTOKW-UHFFFAOYSA-N 0 3 308.794 2.121 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)no3)C(C)(C)[C@@H]21 ZINC001087271695 777678088 /nfs/dbraw/zinc/67/80/88/777678088.db2.gz WALZUJGQOQXXMY-BPLDGKMQSA-N 0 3 303.406 2.388 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3cncs3)C(C)(C)[C@H]21 ZINC001087277289 777697215 /nfs/dbraw/zinc/69/72/15/777697215.db2.gz MKYFDLMNGZCXFU-SNPRPXQTSA-N 0 3 317.458 2.385 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)Cc3ccc(C)o3)C(C)(C)[C@H]21 ZINC001087282028 777714866 /nfs/dbraw/zinc/71/48/66/777714866.db2.gz QGEOPTTWERCAOD-NJAFHUGGSA-N 0 3 314.429 2.369 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cocc3C)C(C)(C)[C@H]21 ZINC001087299014 777747771 /nfs/dbraw/zinc/74/77/71/777747771.db2.gz OROQWMZSQLAUFS-KBMXLJTQSA-N 0 3 300.402 2.440 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccco3)C(C)(C)[C@H]21 ZINC001087309576 777767141 /nfs/dbraw/zinc/76/71/41/777767141.db2.gz JIGLSICRPQURBU-NXHRZFHOSA-N 0 3 314.429 2.451 20 30 DEEDHN N#Cc1c[nH]c2nc(Cl)nc(-n3nc(CN)c4ccccc43)c12 ZINC001167695977 777872695 /nfs/dbraw/zinc/87/26/95/777872695.db2.gz SWFWRCXGOCZNFS-UHFFFAOYSA-N 0 3 323.747 2.281 20 30 DEEDHN CCCCCCCNCc1cn(C2CN(C(=O)CC)C2)nn1 ZINC001105125385 778357799 /nfs/dbraw/zinc/35/77/99/778357799.db2.gz LBRUGQZYXYIWDE-UHFFFAOYSA-N 0 3 307.442 2.131 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001167756162 778420991 /nfs/dbraw/zinc/42/09/91/778420991.db2.gz DEZVDDLJEFZDPL-OWCLPIDISA-N 0 3 304.821 2.421 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1cn(C(C)C)nc1C ZINC001125939245 778432985 /nfs/dbraw/zinc/43/29/85/778432985.db2.gz ZHQZUJFSERYHJK-UHFFFAOYSA-N 0 3 304.438 2.172 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C)CCC1)C[C@@H](C)O2 ZINC001098623235 778472785 /nfs/dbraw/zinc/47/27/85/778472785.db2.gz BOJWVVKESHBSMG-OAHLLOKOSA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)Oc3ccccc3)C2)C1 ZINC001073401696 790637324 /nfs/dbraw/zinc/63/73/24/790637324.db2.gz MRNLPQPXGQMRFA-INIZCTEOSA-N 0 3 312.413 2.012 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3ccc(C)cc3)C2)C1 ZINC001073408196 790640537 /nfs/dbraw/zinc/64/05/37/790640537.db2.gz GMJORGBLHRWCGV-UHFFFAOYSA-N 0 3 300.402 2.094 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001100363034 778731336 /nfs/dbraw/zinc/73/13/36/778731336.db2.gz MDUQIGSTYKBXDP-VCANKDNSSA-N 0 3 324.856 2.065 20 30 DEEDHN Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc1C ZINC001075621306 778766539 /nfs/dbraw/zinc/76/65/39/778766539.db2.gz VXFCEHMMTSTLFJ-BPQIPLTHSA-N 0 3 311.429 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)Cc2cccs2)[C@H](OC)C1 ZINC001211764962 778848308 /nfs/dbraw/zinc/84/83/08/778848308.db2.gz WWSPKPOEHLVQKL-HUUCEWRRSA-N 0 3 308.447 2.072 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)c3ccc(C)o3)C[C@]2(C)C1 ZINC000982616019 778884275 /nfs/dbraw/zinc/88/42/75/778884275.db2.gz AKVLRNVRQXSSQF-LZQZEXGQSA-N 0 3 314.429 2.495 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CC3CCC(OC)CC3)C2)C1 ZINC001073489145 790687713 /nfs/dbraw/zinc/68/77/13/790687713.db2.gz OBUCSZOBOSPRST-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3Oc4ccccc4[C@H]3C)C2)C1 ZINC001073488921 790688427 /nfs/dbraw/zinc/68/84/27/790688427.db2.gz LBRVIPFVVDAEAJ-PBHICJAKSA-N 0 3 312.413 2.271 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1CC ZINC001087638012 779388807 /nfs/dbraw/zinc/38/88/07/779388807.db2.gz WIVMJLAGNLMEIM-UONOGXRCSA-N 0 3 322.840 2.234 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)nn2C)[C@H]1CC ZINC001087656281 779397906 /nfs/dbraw/zinc/39/79/06/779397906.db2.gz XEMBEYJHRFVKLQ-CMPLNLGQSA-N 0 3 312.364 2.126 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)nnc2C)[C@H]1CC ZINC001087671990 779405786 /nfs/dbraw/zinc/40/57/86/779405786.db2.gz YWSWODZEXZFZRL-JKSUJKDBSA-N 0 3 302.422 2.116 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nc(C)ncc2Cl)[C@H]1CC ZINC001087750405 779436605 /nfs/dbraw/zinc/43/66/05/779436605.db2.gz JIHXDXDWUWIBCG-UONOGXRCSA-N 0 3 320.824 2.044 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001073512380 790705670 /nfs/dbraw/zinc/70/56/70/790705670.db2.gz HEKDPPIPMCIHTN-AWEZNQCLSA-N 0 3 308.447 2.453 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncoc2C2CC2)[C@H]1CC ZINC001087784484 779452410 /nfs/dbraw/zinc/45/24/10/779452410.db2.gz HQJZWUAQWVIATO-UONOGXRCSA-N 0 3 301.390 2.158 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@H]2C1 ZINC001087872015 779504993 /nfs/dbraw/zinc/50/49/93/779504993.db2.gz KUWQSVBXOJASCK-CVEARBPZSA-N 0 3 300.377 2.243 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@@H]2C1 ZINC001087980792 779588054 /nfs/dbraw/zinc/58/80/54/779588054.db2.gz SZGSHKAYKGFPDI-AEFFLSMTSA-N 0 3 311.429 2.116 20 30 DEEDHN C=CC[C@@H](C)C(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001144012948 790720131 /nfs/dbraw/zinc/72/01/31/790720131.db2.gz JCIIFGYASRFBLY-CYBMUJFWSA-N 0 3 304.438 2.347 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)C[C@@H]2C1 ZINC001088103210 779703516 /nfs/dbraw/zinc/70/35/16/779703516.db2.gz NROKGMYEPVFYDM-ZNMIVQPWSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C[C@@H]2C1 ZINC001088115924 779709271 /nfs/dbraw/zinc/70/92/71/779709271.db2.gz WBRHHEQMORQJRX-YYIAUSFCSA-N 0 3 312.413 2.187 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc(OCC)c3)C[C@@H]2C1 ZINC001088122227 779714084 /nfs/dbraw/zinc/71/40/84/779714084.db2.gz SLZHUZSJOZSYPS-SJORKVTESA-N 0 3 312.413 2.112 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001088133273 779719459 /nfs/dbraw/zinc/71/94/59/779719459.db2.gz ZICXXXHLBOCSHS-XHSDSOJGSA-N 0 3 300.402 2.105 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc4c(C)cccn4c3)C[C@@H]2C1 ZINC001088168402 779740701 /nfs/dbraw/zinc/74/07/01/779740701.db2.gz AMEAXAQIQYTSOC-AEFFLSMTSA-N 0 3 321.424 2.275 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccoc3CCC)C[C@@H]2C1 ZINC001088169870 779746271 /nfs/dbraw/zinc/74/62/71/779746271.db2.gz SJDKWDAFVLPLOZ-CABCVRRESA-N 0 3 300.402 2.259 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc4[nH]ccc4s3)C[C@@H]2C1 ZINC001088184323 779763369 /nfs/dbraw/zinc/76/33/69/779763369.db2.gz YYZFSCKFGOSVGZ-OLZOCXBDSA-N 0 3 313.426 2.257 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4c3CCC4)C[C@@H]2C1 ZINC001088217850 779778767 /nfs/dbraw/zinc/77/87/67/779778767.db2.gz ARNFOHUMTIKBBP-SJORKVTESA-N 0 3 308.425 2.202 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC001088227039 779783578 /nfs/dbraw/zinc/78/35/78/779783578.db2.gz DIUNOLHSUJYVOU-MRXNPFEDSA-N 0 3 324.440 2.087 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCOC2)C1 ZINC001088273510 779894445 /nfs/dbraw/zinc/89/44/45/779894445.db2.gz FJVRGCRETODUIF-ZIAGYGMSSA-N 0 3 300.830 2.136 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC(C)(C)O)C1 ZINC001088305163 779929754 /nfs/dbraw/zinc/92/97/54/779929754.db2.gz SHCHGIPQKPGTEQ-CYBMUJFWSA-N 0 3 302.846 2.261 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2scnc2C)[C@H](OC)C1 ZINC001211906366 780128658 /nfs/dbraw/zinc/12/86/58/780128658.db2.gz STPRNEVEBDCRML-IACUBPJLSA-N 0 3 323.462 2.235 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001059746195 780308889 /nfs/dbraw/zinc/30/88/89/780308889.db2.gz QRDDKXUEIHACHE-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001073681099 790785958 /nfs/dbraw/zinc/78/59/58/790785958.db2.gz CWDSVEXFGZRJNB-AWEZNQCLSA-N 0 3 320.458 2.155 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2ccc(C#N)cn2)C[C@@H]1c1ccccc1 ZINC001144169397 790790764 /nfs/dbraw/zinc/79/07/64/790790764.db2.gz ILVVJPWVYWPJRM-MSOLQXFVSA-N 0 3 321.380 2.342 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)nc1 ZINC001144169622 790791428 /nfs/dbraw/zinc/79/14/28/790791428.db2.gz PBCWDEMITWNEDB-IRXDYDNUSA-N 0 3 302.397 2.352 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)CCOC)CC1 ZINC001168219136 780479137 /nfs/dbraw/zinc/47/91/37/780479137.db2.gz OBLZEGZHSSSQML-LBPRGKRZSA-N 0 3 302.846 2.288 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2CC(C)C)[C@H]1C ZINC001088598674 780568812 /nfs/dbraw/zinc/56/88/12/780568812.db2.gz CAHJQSOLVARSMH-CABCVRRESA-N 0 3 304.438 2.308 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@H]1C ZINC001088600986 780569589 /nfs/dbraw/zinc/56/95/89/780569589.db2.gz ANRJJURHLNKVLS-KGLIPLIRSA-N 0 3 304.438 2.407 20 30 DEEDHN CC/C(C)=C\C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001126753272 780596708 /nfs/dbraw/zinc/59/67/08/780596708.db2.gz XOJARZPFEDRJQN-LCYFTJDESA-N 0 3 301.390 2.129 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CCOC)[C@@H]2C)cc1 ZINC001088671983 780703689 /nfs/dbraw/zinc/70/36/89/780703689.db2.gz HVWNRLDKJHWQEL-PBHICJAKSA-N 0 3 318.417 2.090 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2OCC=C)[C@H]1C ZINC001088672363 780704559 /nfs/dbraw/zinc/70/45/59/780704559.db2.gz XEBKYGKWBJSKLQ-WBVHZDCISA-N 0 3 312.413 2.467 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@H]1C ZINC001088721951 780915034 /nfs/dbraw/zinc/91/50/34/780915034.db2.gz AWHHPMAKAJOJSF-ZBFHGGJFSA-N 0 3 322.412 2.293 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCOc3c(F)cccc32)[C@H]1C ZINC001088732655 780921532 /nfs/dbraw/zinc/92/15/32/780921532.db2.gz HVEIHZAIUDCOQJ-INWMFGNUSA-N 0 3 318.392 2.457 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(F)F)n(C)n2)[C@H]1C ZINC001088747644 780929823 /nfs/dbraw/zinc/92/98/23/780929823.db2.gz OYENMRKXVYYTHE-MNOVXSKESA-N 0 3 312.364 2.126 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccnn2C2CCC2)C1 ZINC001091029374 790839452 /nfs/dbraw/zinc/83/94/52/790839452.db2.gz DJDYQEUMRFKTTG-UHFFFAOYSA-N 0 3 322.840 2.459 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)[C@H]1C ZINC001088808825 781018482 /nfs/dbraw/zinc/01/84/82/781018482.db2.gz UOUIKUDPZQBHEJ-CPUCHLNUSA-N 0 3 312.413 2.398 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccccc2C(C)C)[C@@H](O)C1 ZINC001083508875 781022596 /nfs/dbraw/zinc/02/25/96/781022596.db2.gz DQEAYGKYNICZPI-SJORKVTESA-N 0 3 302.418 2.161 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)[C@@H]2C1 ZINC001076272165 781193607 /nfs/dbraw/zinc/19/36/07/781193607.db2.gz SYRMUYPOUXBPMZ-XJKSGUPXSA-N 0 3 302.422 2.256 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001073776110 790862522 /nfs/dbraw/zinc/86/25/22/790862522.db2.gz AYMUYCGRQJDJGG-BRWVUGGUSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(OCC)cc3)[C@@H]2C1 ZINC001076535534 781301597 /nfs/dbraw/zinc/30/15/97/781301597.db2.gz RBIRMZDYJYCDDR-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@H]2CN(CCOC)C[C@H]21)c1ccccc1 ZINC001076598205 781320907 /nfs/dbraw/zinc/32/09/07/781320907.db2.gz RKXUCKBPODGLQG-OKZBNKHCSA-N 0 3 314.429 2.135 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@H](F)Cc3ccccc3)[C@@H]2C1 ZINC001076599421 781322186 /nfs/dbraw/zinc/32/21/86/781322186.db2.gz OPUFVNCNVJEPFL-RCCFBDPRSA-N 0 3 314.404 2.123 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001076797812 781388668 /nfs/dbraw/zinc/38/86/68/781388668.db2.gz YOSKLGYQVXQBQB-AWEZNQCLSA-N 0 3 311.470 2.084 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C3CC3)cnn2C)C1 ZINC001091064755 790888699 /nfs/dbraw/zinc/88/86/99/790888699.db2.gz OWAUAZUKGFPXMP-UHFFFAOYSA-N 0 3 322.840 2.148 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC001126960655 781491718 /nfs/dbraw/zinc/49/17/18/781491718.db2.gz QFBNBQYMSWJGEN-HOTGVXAUSA-N 0 3 303.381 2.292 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001077390468 781569317 /nfs/dbraw/zinc/56/93/17/781569317.db2.gz UPXLHZPRDYOOQP-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001073841274 790908719 /nfs/dbraw/zinc/90/87/19/790908719.db2.gz GNRVQAYUEJWRMB-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001060262837 781751213 /nfs/dbraw/zinc/75/12/13/781751213.db2.gz DMVJIEMZGSSSCY-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001105946681 781885731 /nfs/dbraw/zinc/88/57/31/781885731.db2.gz YPPBYQPJLJSKMG-PBKAMQJISA-N 0 3 304.221 2.149 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2sccc2OC)C1 ZINC001073863699 790922288 /nfs/dbraw/zinc/92/22/88/790922288.db2.gz YVFJOOGNWXQUJH-ZDUSSCGKSA-N 0 3 324.446 2.154 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(OC)c2F)C[C@@H]1C ZINC000947845337 783246154 /nfs/dbraw/zinc/24/61/54/783246154.db2.gz IQRPSVUYJURIQM-KBPBESRZSA-N 0 3 318.392 2.440 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(CCC)n2)C[C@H]1C ZINC000947925072 783270307 /nfs/dbraw/zinc/27/03/07/783270307.db2.gz JNMSCOSDPQOEQU-ZIAGYGMSSA-N 0 3 303.406 2.233 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncccc2Cl)C[C@@H]1C ZINC000947949462 783275765 /nfs/dbraw/zinc/27/57/65/783275765.db2.gz VVCXCDYIAXZFBC-STQMWFEESA-N 0 3 305.809 2.341 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sc(COC)nc2C)C[C@H]1C ZINC000947974855 783281851 /nfs/dbraw/zinc/28/18/51/783281851.db2.gz HLVWYNFGCAPWTF-YPMHNXCESA-N 0 3 323.462 2.367 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC001089621820 783283930 /nfs/dbraw/zinc/28/39/30/783283930.db2.gz AXEICFIMOSVNTH-ZDUSSCGKSA-N 0 3 303.406 2.194 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C[C@H]1C ZINC000948017670 783294446 /nfs/dbraw/zinc/29/44/46/783294446.db2.gz WLODUCLGONONDS-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(Cl)cn2CC)C[C@H]1C ZINC000948043913 783301878 /nfs/dbraw/zinc/30/18/78/783301878.db2.gz KQSPNAVFTWQCGQ-OCCSQVGLSA-N 0 3 307.825 2.377 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1C ZINC000948108489 783325378 /nfs/dbraw/zinc/32/53/78/783325378.db2.gz GLWDWGNOMAYENM-NEPJUHHUSA-N 0 3 315.373 2.302 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001089711464 783372178 /nfs/dbraw/zinc/37/21/78/783372178.db2.gz VDGFIFGAYAXTTE-HNNXBMFYSA-N 0 3 316.449 2.270 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001006430572 783419630 /nfs/dbraw/zinc/41/96/30/783419630.db2.gz ALOFMYXSFSVVPA-UHFFFAOYSA-N 0 3 303.406 2.126 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)C2CC(OCC)C2)CC1 ZINC000948337507 783432623 /nfs/dbraw/zinc/43/26/23/783432623.db2.gz STUUSURKQRJXOY-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC000948613007 783528568 /nfs/dbraw/zinc/52/85/68/783528568.db2.gz UGWBXZMEQDYHKI-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3ccncc3n2)CC1 ZINC000948621876 783533812 /nfs/dbraw/zinc/53/38/12/783533812.db2.gz XERJRGYNYOJYHB-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN COCC(=O)N1CCCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC001073915031 790954615 /nfs/dbraw/zinc/95/46/15/790954615.db2.gz MYNHFTLQNQEWKM-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1F ZINC000966185389 783594891 /nfs/dbraw/zinc/59/48/91/783594891.db2.gz HEDKXTKDUNIJFB-MRXNPFEDSA-N 0 3 324.359 2.097 20 30 DEEDHN C#Cc1ccc(CN2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)cc1 ZINC001144571667 790959065 /nfs/dbraw/zinc/95/90/65/790959065.db2.gz DLUBBBXPSABFKY-RCCFBDPRSA-N 0 3 323.396 2.191 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC000966392847 783650953 /nfs/dbraw/zinc/65/09/53/783650953.db2.gz XISLNYMKWNFZBB-RDJZCZTQSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC000966563467 783696181 /nfs/dbraw/zinc/69/61/81/783696181.db2.gz LPEHFTATQSKTIZ-BBRMVZONSA-N 0 3 316.449 2.314 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000966569497 783698834 /nfs/dbraw/zinc/69/88/34/783698834.db2.gz UNHVIFPDTBIAQO-DOMZBBRYSA-N 0 3 321.371 2.483 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C/C=C/Cl)CCO)CC1 ZINC001098382228 783702369 /nfs/dbraw/zinc/70/23/69/783702369.db2.gz IIIWJDKVJBZSGM-FPYGCLRLSA-N 0 3 314.857 2.381 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC000967031310 783862607 /nfs/dbraw/zinc/86/26/07/783862607.db2.gz KOORVMLXSLCPFE-RHSMWYFYSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001085597338 783870700 /nfs/dbraw/zinc/87/07/00/783870700.db2.gz VZNJCXRHJVSOHO-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000967156841 783897596 /nfs/dbraw/zinc/89/75/96/783897596.db2.gz PLYVUAHHYJTRDU-HIFRSBDPSA-N 0 3 316.449 2.171 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc2ccccn12 ZINC001085683237 783963352 /nfs/dbraw/zinc/96/33/52/783963352.db2.gz LYBUOKJAMSIJMX-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001085707089 783994107 /nfs/dbraw/zinc/99/41/07/783994107.db2.gz CKZWHGATYBSRJD-WMZOPIPTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nc(C)n2ccccc12 ZINC001085722016 783999772 /nfs/dbraw/zinc/99/97/72/783999772.db2.gz MAFMBNPGJYQCEZ-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085750768 784040448 /nfs/dbraw/zinc/04/04/48/784040448.db2.gz OJOIDMMDMBAQBE-GFCCVEGCSA-N 0 3 310.829 2.104 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085750785 784041051 /nfs/dbraw/zinc/04/10/51/784041051.db2.gz OSUGUFQPCIKNBV-ZDUSSCGKSA-N 0 3 324.856 2.494 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(CCC(C)C)nn1 ZINC001085816334 784102747 /nfs/dbraw/zinc/10/27/47/784102747.db2.gz UUVIHKRQTVNFJU-HNNXBMFYSA-N 0 3 319.453 2.047 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(CCC(C)C)nn1 ZINC001085816335 784103225 /nfs/dbraw/zinc/10/32/25/784103225.db2.gz UUVIHKRQTVNFJU-OAHLLOKOSA-N 0 3 319.453 2.047 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085864504 784159821 /nfs/dbraw/zinc/15/98/21/784159821.db2.gz BIGRSPGURNVQDY-IKGGRYGDSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085895284 784186464 /nfs/dbraw/zinc/18/64/64/784186464.db2.gz YQLALRBFXPPRLU-CYBMUJFWSA-N 0 3 312.364 2.391 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC2(C1)CCOCC2 ZINC001085925240 784219488 /nfs/dbraw/zinc/21/94/88/784219488.db2.gz RUQIVLFYYHIDIQ-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCCCC2 ZINC001085968117 784267163 /nfs/dbraw/zinc/26/71/63/784267163.db2.gz CHUZYGYLEBAULZ-CQSZACIVSA-N 0 3 316.449 2.401 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001074017753 791012037 /nfs/dbraw/zinc/01/20/37/791012037.db2.gz XHIQVKPSSQWQSU-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)/C=C\C3CC3)C2)ccc1F ZINC000968316962 784281868 /nfs/dbraw/zinc/28/18/68/784281868.db2.gz QZSBDZIHTNUGFX-DQOPKJQZSA-N 0 3 313.376 2.354 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC000968331172 784295394 /nfs/dbraw/zinc/29/53/94/784295394.db2.gz MCFMRBBBRWEJNP-KGLIPLIRSA-N 0 3 319.453 2.049 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc(C(C)(C)C)nc1 ZINC001086002629 784307283 /nfs/dbraw/zinc/30/72/83/784307283.db2.gz NKXNBTIAYTXNSI-OAHLLOKOSA-N 0 3 316.449 2.497 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC000968353368 784316286 /nfs/dbraw/zinc/31/62/86/784316286.db2.gz FBOVDCPMSGHKDT-IUODEOHRSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968414037 784370332 /nfs/dbraw/zinc/37/03/32/784370332.db2.gz OQZODQYDNBRUNX-WFASDCNBSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001086088035 784396681 /nfs/dbraw/zinc/39/66/81/784396681.db2.gz AOSVNSUECZZFER-XGUBFFRZSA-N 0 3 314.857 2.284 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC000968480470 784409815 /nfs/dbraw/zinc/40/98/15/784409815.db2.gz MKAZJFLUUFGUFO-RDJZCZTQSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC000968480466 784410405 /nfs/dbraw/zinc/41/04/05/784410405.db2.gz MGRQGKIRXYUPDA-CZUORRHYSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC000968483202 784413789 /nfs/dbraw/zinc/41/37/89/784413789.db2.gz DGPLRKXWGRNBQI-ZBFHGGJFSA-N 0 3 318.465 2.100 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968520416 784441954 /nfs/dbraw/zinc/44/19/54/784441954.db2.gz IJPUHPFYRXUVAG-HIFRSBDPSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000968520416 784441963 /nfs/dbraw/zinc/44/19/63/784441963.db2.gz IJPUHPFYRXUVAG-HIFRSBDPSA-N 0 3 316.449 2.305 20 30 DEEDHN C=C1CCC(C(=O)NCC2CC(NCc3ccnn3C)C2)CC1 ZINC001091212904 791027338 /nfs/dbraw/zinc/02/73/38/791027338.db2.gz FBAGVFMEVMODPN-UHFFFAOYSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001086182626 784470388 /nfs/dbraw/zinc/47/03/88/784470388.db2.gz FNKWFUHHHHZMGG-APIJFGDWSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001086283245 784541291 /nfs/dbraw/zinc/54/12/91/784541291.db2.gz QDIVIEGEXJMNDH-LXTVHRRPSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2N(C)C)C1 ZINC000968703692 784548394 /nfs/dbraw/zinc/54/83/94/784548394.db2.gz YRWCGMDGZBFNLK-WBVHZDCISA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC000968857152 784621172 /nfs/dbraw/zinc/62/11/72/784621172.db2.gz URXDMYLHMIGJMQ-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC000968928345 784654456 /nfs/dbraw/zinc/65/44/56/784654456.db2.gz IQZSYOQFRCGXHK-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000968949445 784666120 /nfs/dbraw/zinc/66/61/20/784666120.db2.gz MPYITPQXPJVVFK-NUJGCVRESA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000968962802 784670428 /nfs/dbraw/zinc/67/04/28/784670428.db2.gz PLPBAIMERKSOSF-ZACQAIPSSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC000968994373 784682632 /nfs/dbraw/zinc/68/26/32/784682632.db2.gz RRZSQIITVFGGAT-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC000968994373 784682637 /nfs/dbraw/zinc/68/26/37/784682637.db2.gz RRZSQIITVFGGAT-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ncc3ccccn32)C1 ZINC001086428517 784719404 /nfs/dbraw/zinc/71/94/04/784719404.db2.gz XCILGJOKROPHRB-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NCc3ccccn3)C2)cc1 ZINC001086444930 784738490 /nfs/dbraw/zinc/73/84/90/784738490.db2.gz XGPSAJAHYHYLFE-RUCARUNLSA-N 0 3 319.408 2.361 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001007429720 784916366 /nfs/dbraw/zinc/91/63/66/784916366.db2.gz VQGWTOICLZZMKP-GFCCVEGCSA-N 0 3 312.364 2.357 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001007635893 784966840 /nfs/dbraw/zinc/96/68/40/784966840.db2.gz JWBDCOWJKUROTM-HUUCEWRRSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001007818981 785017157 /nfs/dbraw/zinc/01/71/57/785017157.db2.gz USDMPBUKGYNOPN-KRWDZBQOSA-N 0 3 300.402 2.051 20 30 DEEDHN C=CCCOCC(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001204021852 785038281 /nfs/dbraw/zinc/03/82/81/785038281.db2.gz GTEWOPPICPWRLC-UHFFFAOYSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001007901011 785041833 /nfs/dbraw/zinc/04/18/33/785041833.db2.gz IGMNXMUPQAXQCT-OAHLLOKOSA-N 0 3 310.401 2.089 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001171232451 791077688 /nfs/dbraw/zinc/07/76/88/791077688.db2.gz SLWHGWPCOLLHDL-WMLDXEAASA-N 0 3 314.433 2.225 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ncccc1F ZINC001169169247 785084448 /nfs/dbraw/zinc/08/44/48/785084448.db2.gz OPUUJFQAPUGVPO-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001008120049 785112185 /nfs/dbraw/zinc/11/21/85/785112185.db2.gz IJBKXICBDNDCRB-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001008362445 785182332 /nfs/dbraw/zinc/18/23/32/785182332.db2.gz ZYRZKVHOIJJACT-QGZVFWFLSA-N 0 3 323.440 2.325 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001008491302 785221855 /nfs/dbraw/zinc/22/18/55/785221855.db2.gz ZTQDOAXUYBSHMJ-CHWSQXEVSA-N 0 3 322.840 2.163 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001204028924 785343969 /nfs/dbraw/zinc/34/39/69/785343969.db2.gz RUWWJWSSRDMYPN-LWMMSDEHSA-N 0 3 321.248 2.477 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001204028919 785344168 /nfs/dbraw/zinc/34/41/68/785344168.db2.gz RSGMWNDGIOSITI-CYBMUJFWSA-N 0 3 323.462 2.123 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009100941 785384595 /nfs/dbraw/zinc/38/45/95/785384595.db2.gz AQEMIGDDCWPDMI-SFHVURJKSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009112180 785386222 /nfs/dbraw/zinc/38/62/22/785386222.db2.gz UYUUKOOLNODNPL-SFHVURJKSA-N 0 3 307.397 2.452 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(OC)cc2OC)C1 ZINC001009327904 785429558 /nfs/dbraw/zinc/42/95/58/785429558.db2.gz OBMYJLGZTFOCQW-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001009358384 785436610 /nfs/dbraw/zinc/43/66/10/785436610.db2.gz NLCHVEDUSOJYFK-HUUCEWRRSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001009552652 785480342 /nfs/dbraw/zinc/48/03/42/785480342.db2.gz RAYICOXPOJJONL-CQSZACIVSA-N 0 3 324.856 2.310 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009666539 785502973 /nfs/dbraw/zinc/50/29/73/785502973.db2.gz AZPKPDRBFYZDLK-AWEZNQCLSA-N 0 3 311.385 2.354 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CCCC1)C2 ZINC001109377828 785833914 /nfs/dbraw/zinc/83/39/14/785833914.db2.gz DIOHBZQLPWBHOK-PMPSAXMXSA-N 0 3 306.450 2.491 20 30 DEEDHN CCc1ccccc1CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010666201 785891590 /nfs/dbraw/zinc/89/15/90/785891590.db2.gz BAJTUCATNRSJQN-QGZVFWFLSA-N 0 3 322.412 2.453 20 30 DEEDHN Cc1ccccc1CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010692008 785897663 /nfs/dbraw/zinc/89/76/63/785897663.db2.gz UNYIXWDAJZKWTQ-INIZCTEOSA-N 0 3 308.385 2.199 20 30 DEEDHN CC[C@@H](C(=O)N(C)CCCNc1cccc(F)c1C#N)N(C)C ZINC001109486973 785897988 /nfs/dbraw/zinc/89/79/88/785897988.db2.gz UDGMORJFQWEBFB-INIZCTEOSA-N 0 3 320.412 2.298 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)C2 ZINC001109640349 785971228 /nfs/dbraw/zinc/97/12/28/785971228.db2.gz BWPDHAWFWDYPQR-PMPSAXMXSA-N 0 3 315.417 2.017 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)[C@H](O)C1 ZINC001090433498 786128566 /nfs/dbraw/zinc/12/85/66/786128566.db2.gz QSLPRKHRDLKZNX-JKSUJKDBSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccnc2OCC)C1 ZINC001086544551 786183176 /nfs/dbraw/zinc/18/31/76/786183176.db2.gz USYGZFXTRUCPFR-JOCQHMNTSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001086549742 786196004 /nfs/dbraw/zinc/19/60/04/786196004.db2.gz BCHHULANOXKNNG-HAQNSBGRSA-N 0 3 311.813 2.396 20 30 DEEDHN C#CCOCCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001112845054 786252482 /nfs/dbraw/zinc/25/24/82/786252482.db2.gz RTCUZXHLFCRKAK-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001112982242 786348514 /nfs/dbraw/zinc/34/85/14/786348514.db2.gz GGQKOAQFLJOYPA-HZPDHXFCSA-N 0 3 316.449 2.404 20 30 DEEDHN CCCN(C)CC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113125728 786410457 /nfs/dbraw/zinc/41/04/57/786410457.db2.gz XOTGEXVAVYXNLE-STQMWFEESA-N 0 3 320.412 2.344 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001086580693 786418906 /nfs/dbraw/zinc/41/89/06/786418906.db2.gz PQRXKTKNPIYNGG-ZWKOTPCHSA-N 0 3 324.428 2.113 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(OC)cn2)CC1 ZINC001113256151 786484358 /nfs/dbraw/zinc/48/43/58/786484358.db2.gz ABDISHREWLVXBI-HNNXBMFYSA-N 0 3 317.433 2.132 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001086590341 786556934 /nfs/dbraw/zinc/55/69/34/786556934.db2.gz XZQMJADBTQCJSZ-ZWKOTPCHSA-N 0 3 307.397 2.236 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2cn(C)nc2C)CC1 ZINC001113398974 786572182 /nfs/dbraw/zinc/57/21/82/786572182.db2.gz MKMWVWIAVXMSLT-OAHLLOKOSA-N 0 3 318.465 2.160 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001014424013 786580041 /nfs/dbraw/zinc/58/00/41/786580041.db2.gz HXNFSCXEDBXRKA-HOCLYGCPSA-N 0 3 318.392 2.143 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001113417636 786581012 /nfs/dbraw/zinc/58/10/12/786581012.db2.gz PEWMQDZYHHRLTF-MRXNPFEDSA-N 0 3 318.465 2.479 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2csc(C)n2)CC1 ZINC001113612546 786726834 /nfs/dbraw/zinc/72/68/34/786726834.db2.gz DPZWIAYVRGSFPY-CYBMUJFWSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCn2cccn2)CC1 ZINC001113649636 786745343 /nfs/dbraw/zinc/74/53/43/786745343.db2.gz GUCJDLKSGTWPIL-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001014846000 786774663 /nfs/dbraw/zinc/77/46/63/786774663.db2.gz XSTVDWRIZOJKGU-SECBINFHSA-N 0 3 303.284 2.074 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001113723509 786778741 /nfs/dbraw/zinc/77/87/41/786778741.db2.gz XPAQZJAPAJDOIE-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CNC(=O)C(CC)CC)CC1 ZINC001113755180 786799035 /nfs/dbraw/zinc/79/90/35/786799035.db2.gz XGYSHFHQPVTBRL-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C[C@H](C)OC)C1 ZINC001014982797 786839340 /nfs/dbraw/zinc/83/93/40/786839340.db2.gz YHPPGTXGBHIEIV-GJZGRUSLSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001170438614 787148573 /nfs/dbraw/zinc/14/85/73/787148573.db2.gz MOHSIRISWCLJDI-GUYCJALGSA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)CSC)C1 ZINC001130368917 787369712 /nfs/dbraw/zinc/36/97/12/787369712.db2.gz UUSABWCDBYBYEF-CHWSQXEVSA-N 0 3 322.478 2.000 20 30 DEEDHN CC(F)(F)CCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001130391652 787376451 /nfs/dbraw/zinc/37/64/51/787376451.db2.gz MAGBDSLCZZFIRX-UHFFFAOYSA-N 0 3 313.323 2.339 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)C2CC2)C1 ZINC001130414948 787384487 /nfs/dbraw/zinc/38/44/87/787384487.db2.gz ATCVDZZWUHJZMY-CYBMUJFWSA-N 0 3 316.449 2.437 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)[C@H](O)C1 ZINC001090485304 787406434 /nfs/dbraw/zinc/40/64/34/787406434.db2.gz GMDPGLOAWYUKQU-HZPDHXFCSA-N 0 3 320.408 2.184 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)ccc1F ZINC001130526034 787414769 /nfs/dbraw/zinc/41/47/69/787414769.db2.gz QEECIJORQTWXSF-OFQRWUPVSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)COC)CC1 ZINC001095969219 787430036 /nfs/dbraw/zinc/43/00/36/787430036.db2.gz JUBALAIEWQTDEH-ORQFMDKSSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2snnc2C)C1 ZINC001086641253 787437812 /nfs/dbraw/zinc/43/78/12/787437812.db2.gz BWXPSEHDKHHOST-WDEREUQCSA-N 0 3 314.842 2.087 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)c(C)c1)C2 ZINC001096173538 787558503 /nfs/dbraw/zinc/55/85/03/787558503.db2.gz IWXQJROUXHMIJS-IKGGRYGDSA-N 0 3 312.413 2.362 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ncc(Cl)s2)cc1 ZINC001131294396 787587905 /nfs/dbraw/zinc/58/79/05/787587905.db2.gz WENOPDRYIKOXPF-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCCC3)C2 ZINC001096295412 787603739 /nfs/dbraw/zinc/60/37/39/787603739.db2.gz DAUQFADSNKOAOT-HFTRVMKXSA-N 0 3 311.429 2.252 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCOCC)C[C@@H](C)O2 ZINC001131639117 787668409 /nfs/dbraw/zinc/66/84/09/787668409.db2.gz SMGKDYLHPZMKOM-AEFFLSMTSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CC(C)(C)C=C)C[C@@H](C)O2 ZINC001131661087 787673567 /nfs/dbraw/zinc/67/35/67/787673567.db2.gz JLEQAONUSWTKAH-APWZRJJASA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132003794 787879633 /nfs/dbraw/zinc/87/96/33/787879633.db2.gz ZQAYFLWTULYYAO-HZPDHXFCSA-N 0 3 306.450 2.328 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)c1 ZINC001096929322 787906554 /nfs/dbraw/zinc/90/65/54/787906554.db2.gz XFVNBZCUOAHFHR-NUJGCVRESA-N 0 3 320.396 2.422 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132056712 787908294 /nfs/dbraw/zinc/90/82/94/787908294.db2.gz CFPRTMKIVIVKCY-STQMWFEESA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)CC[C@@H]1C ZINC001132127878 787940178 /nfs/dbraw/zinc/94/01/78/787940178.db2.gz FRRLWPAXCUWYDM-JKSUJKDBSA-N 0 3 319.449 2.417 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132152690 787945031 /nfs/dbraw/zinc/94/50/31/787945031.db2.gz HRWMJMGUJHWQLY-UONOGXRCSA-N 0 3 315.889 2.438 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cccnc2C)CC[C@@H]1C ZINC001132248910 787987044 /nfs/dbraw/zinc/98/70/44/787987044.db2.gz 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ZINC001097536322 788128369 /nfs/dbraw/zinc/12/83/69/788128369.db2.gz MRBFDPWUWDLKJA-OAGGEKHMSA-N 0 3 322.412 2.001 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132565380 788132586 /nfs/dbraw/zinc/13/25/86/788132586.db2.gz VFIFRRIOXXJVCE-KBPBESRZSA-N 0 3 317.433 2.309 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)CC1 ZINC001097788560 788234958 /nfs/dbraw/zinc/23/49/58/788234958.db2.gz JUBALAIEWQTDEH-DZUCGIPZSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](CC)OC)C1 ZINC001097808420 788238998 /nfs/dbraw/zinc/23/89/98/788238998.db2.gz BUUCWROGMSBSKG-FPCVCCKLSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2cnns2)C1 ZINC001133073376 788267880 /nfs/dbraw/zinc/26/78/80/788267880.db2.gz UGFWRDSGIKJOPK-KGLIPLIRSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001133071914 788273808 /nfs/dbraw/zinc/27/38/08/788273808.db2.gz DFCITCMTKSPCCH-ZFWWWQNUSA-N 0 3 319.453 2.044 20 30 DEEDHN C=CCCCC(=O)NCCN[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001133145149 788299930 /nfs/dbraw/zinc/29/99/30/788299930.db2.gz RFWAOMBWIACNIA-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN Cc1cccc(CC(=O)NCCNCc2ccc(C#N)s2)c1 ZINC001133183113 788309396 /nfs/dbraw/zinc/30/93/96/788309396.db2.gz QUKBNTKRRWNDMM-UHFFFAOYSA-N 0 3 313.426 2.377 20 30 DEEDHN C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001086704225 788356115 /nfs/dbraw/zinc/35/61/15/788356115.db2.gz MRRFDGKTOJSEAJ-QWHCGFSZSA-N 0 3 313.405 2.022 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1cnccn1)NCc1ccccc1C#N ZINC001133548749 788482572 /nfs/dbraw/zinc/48/25/72/788482572.db2.gz AFYVEIYPEVLINK-KGLIPLIRSA-N 0 3 323.400 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](O)C1 ZINC001090516828 788733633 /nfs/dbraw/zinc/73/36/33/788733633.db2.gz YMVXJBGBVFVSNI-SJORKVTESA-N 0 3 319.449 2.119 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NCc1nccs1 ZINC001134160070 788781536 /nfs/dbraw/zinc/78/15/36/788781536.db2.gz GRZCPMGLLRBHTI-QWRGUYRKSA-N 0 3 317.418 2.030 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001134204992 788799095 /nfs/dbraw/zinc/79/90/95/788799095.db2.gz GMOJWYJEPZNWBW-CHWSQXEVSA-N 0 3 305.422 2.468 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(C(F)(F)F)CC2)cc1 ZINC001134215682 788805739 /nfs/dbraw/zinc/80/57/39/788805739.db2.gz IIEWFMXNLKXAGZ-UHFFFAOYSA-N 0 3 311.307 2.107 20 30 DEEDHN Cc1nocc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328602 788875192 /nfs/dbraw/zinc/87/51/92/788875192.db2.gz DZEXXCLKPPYOBT-STQMWFEESA-N 0 3 305.422 2.405 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H](F)c2ccccc2)cc1 ZINC001134437350 788933701 /nfs/dbraw/zinc/93/37/01/788933701.db2.gz VWOLQOCCDUVPMR-QGZVFWFLSA-N 0 3 311.360 2.475 20 30 DEEDHN C#CCC1(C(=O)N[C@H](C)C[C@H](C)NCc2cnns2)CCC1 ZINC001134592418 788992474 /nfs/dbraw/zinc/99/24/74/788992474.db2.gz DMKPCHYSUYLMJH-QWHCGFSZSA-N 0 3 320.462 2.105 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H]2CC[C@H](C)C2)cc1C#N 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DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2ccccc2)C1 ZINC001070394893 789305856 /nfs/dbraw/zinc/30/58/56/789305856.db2.gz UTYDTRNEAWXGGS-HNNXBMFYSA-N 0 3 310.401 2.315 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(C1)CN(C(=O)C#CC1CC1)C[C@H](C)O2 ZINC001071167461 789571915 /nfs/dbraw/zinc/57/19/15/789571915.db2.gz ZGVXWRRMQPCRBX-QFBILLFUSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccns1)C[C@@H](C)O2 ZINC001071173969 789574403 /nfs/dbraw/zinc/57/44/03/789574403.db2.gz QRHTWBPPEDYOFT-CZUORRHYSA-N 0 3 321.446 2.025 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)CC)C[C@H](C)O2 ZINC001071204963 789590211 /nfs/dbraw/zinc/59/02/11/789590211.db2.gz VRAJIBNRLLXGJA-MAUKXSAKSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C)CC(=C)C1)C[C@@H](C)O2 ZINC001071211362 789596976 /nfs/dbraw/zinc/59/69/76/789596976.db2.gz GNIDLAHFTJXPPQ-VQIMIIECSA-N 0 3 316.445 2.058 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C(C)C)CC1)C[C@H](C)O2 ZINC001071213844 789598212 /nfs/dbraw/zinc/59/82/12/789598212.db2.gz LHARLJLYFNHQCO-WMZOPIPTSA-N 0 3 318.461 2.138 20 30 DEEDHN Cc1oc(C2CC2)nc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136040170 789606460 /nfs/dbraw/zinc/60/64/60/789606460.db2.gz MZCUCYIWAOSVHN-UHFFFAOYSA-N 0 3 324.384 2.252 20 30 DEEDHN CC[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001136086752 789620009 /nfs/dbraw/zinc/62/00/09/789620009.db2.gz CYNBIVNZJDWIKE-YOEHRIQHSA-N 0 3 303.381 2.339 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cccnc3n2)CC[C@@H]1C ZINC001071520314 789755387 /nfs/dbraw/zinc/75/53/87/789755387.db2.gz CPKRPWJKJRPYCM-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(F)cc2F)CC[C@H]1C ZINC001071520403 789755842 /nfs/dbraw/zinc/75/58/42/789755842.db2.gz CZBBMUXPBBGQIG-CJNGLKHVSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cnccc2C)CC[C@H]1C ZINC001071579508 789791779 /nfs/dbraw/zinc/79/17/79/789791779.db2.gz FRANSWYEIBCIFT-NVXWUHKLSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)CC[C@H]1C ZINC001071589283 789797387 /nfs/dbraw/zinc/79/73/87/789797387.db2.gz SCEUPDNSIFGQED-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2cn3ccccc3n2)CC[C@@H]1C ZINC001071607622 789810041 /nfs/dbraw/zinc/81/00/41/789810041.db2.gz QKVGUIQUOXVMJB-LSDHHAIUSA-N 0 3 312.417 2.032 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn3c2CCCC3)CC[C@@H]1C ZINC001071967999 789993339 /nfs/dbraw/zinc/99/33/39/789993339.db2.gz QPUBOQDDJXCQCJ-GJZGRUSLSA-N 0 3 316.449 2.378 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)nc1 ZINC001071999969 790006162 /nfs/dbraw/zinc/00/61/62/790006162.db2.gz UEVKGNCUSRICTP-UKRRQHHQSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn3c(cccc3C)n2)CC[C@@H]1C ZINC001072058456 790036602 /nfs/dbraw/zinc/03/66/02/790036602.db2.gz MLHLPWGQHVPEJU-GOEBONIOSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)CC[C@@H]1C ZINC001072073103 790042041 /nfs/dbraw/zinc/04/20/41/790042041.db2.gz UQPIASDTQRCTHC-GXTWGEPZSA-N 0 3 315.417 2.045 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)Cc2[nH]nc3ccccc32)CC[C@H]1C ZINC001072096477 790051193 /nfs/dbraw/zinc/05/11/93/790051193.db2.gz ZZXWCCQBRXIBOI-HUUCEWRRSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](C)[C@H](CNCc2cnns2)C1 ZINC001072337358 790118409 /nfs/dbraw/zinc/11/84/09/790118409.db2.gz XPCNHZOTRYCKHJ-QWHCGFSZSA-N 0 3 322.478 2.325 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001074801145 791314021 /nfs/dbraw/zinc/31/40/21/791314021.db2.gz LUHBRILFNKVSRV-BPNCWPANSA-N 0 3 309.410 2.447 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001146693410 791342771 /nfs/dbraw/zinc/34/27/71/791342771.db2.gz TWIXUMAKYKXEDA-OLZOCXBDSA-N 0 3 323.437 2.257 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@H](C)C1 ZINC001075017286 791430897 /nfs/dbraw/zinc/43/08/97/791430897.db2.gz MRSNNYIILYZBRB-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001075031666 791437082 /nfs/dbraw/zinc/43/70/82/791437082.db2.gz JPFUMWCYGNLBKY-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001148096236 791679392 /nfs/dbraw/zinc/67/93/92/791679392.db2.gz YGWZVHLMLGWLCN-HOTGVXAUSA-N 0 3 320.477 2.406 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cccc(Cl)c2)nc1 ZINC001148370219 791742539 /nfs/dbraw/zinc/74/25/39/791742539.db2.gz NTHHNOZQHZWZNP-UHFFFAOYSA-N 0 3 313.788 2.236 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(Cc4ccccc4)CC3)C[C@]2(C)C1 ZINC001091746343 791800651 /nfs/dbraw/zinc/80/06/51/791800651.db2.gz HNUJRBGVRNFOKF-QUCCMNQESA-N 0 3 322.452 2.423 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C)n3C)C2)CC1 ZINC001086900176 791842024 /nfs/dbraw/zinc/84/20/24/791842024.db2.gz DCFJIDIYLOYISO-MRXNPFEDSA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cnc(C)s3)C2)CC1 ZINC001086909643 791846631 /nfs/dbraw/zinc/84/66/31/791846631.db2.gz ZVABHYCVWGKHQI-CYBMUJFWSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccncc3C)C2)CC1 ZINC001086919892 791851706 /nfs/dbraw/zinc/85/17/06/791851706.db2.gz AWPFZXATFOUOCF-INIZCTEOSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3c(C)ccn3C)C2)CC1 ZINC001086919389 791851806 /nfs/dbraw/zinc/85/18/06/791851806.db2.gz NRJSRQVYMFCBGR-MRXNPFEDSA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(CC)on3)C2)CC1 ZINC001086953745 791863346 /nfs/dbraw/zinc/86/33/46/791863346.db2.gz RLPULDZOUGBIIO-CQSZACIVSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cccn3CC)C2)CC1 ZINC001086957345 791864376 /nfs/dbraw/zinc/86/43/76/791864376.db2.gz KOXSFSHRLZGQOA-INIZCTEOSA-N 0 3 313.445 2.458 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3[nH]cnc3C)C2)CC1 ZINC001086960646 791865600 /nfs/dbraw/zinc/86/56/00/791865600.db2.gz AVIBXSSQBXWSPA-AWEZNQCLSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092077083 791929079 /nfs/dbraw/zinc/92/90/79/791929079.db2.gz PRKXIISVZGAJSB-XSYGEPLQSA-N 0 3 308.425 2.204 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cnoc3C(C)C)C[C@]2(C)C1 ZINC001092161353 791935252 /nfs/dbraw/zinc/93/52/52/791935252.db2.gz IFUFCTYQACSRDH-KDOFPFPSSA-N 0 3 315.417 2.215 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ncoc3C(C)C)C[C@]2(C)C1 ZINC001092178126 791937948 /nfs/dbraw/zinc/93/79/48/791937948.db2.gz SVJTZSBAWISRIK-KDOFPFPSSA-N 0 3 315.417 2.215 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(F)cc3C)C[C@]2(C)C1 ZINC001092216681 791947797 /nfs/dbraw/zinc/94/77/97/791947797.db2.gz IHRZHYSPOVKGEU-KDOFPFPSSA-N 0 3 300.377 2.161 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C=C)c3ccccc3)C[C@]2(C)C1 ZINC001092294459 791982332 /nfs/dbraw/zinc/98/23/32/791982332.db2.gz SNBONAUHIWNSGW-HBFSDRIKSA-N 0 3 308.425 2.370 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C(C)C)cn2)C1 ZINC001098958797 792000781 /nfs/dbraw/zinc/00/07/81/792000781.db2.gz BALMKDQXHSJDFP-YOEHRIQHSA-N 0 3 302.422 2.234 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cnccc3n2)C1 ZINC001099050603 792059833 /nfs/dbraw/zinc/05/98/33/792059833.db2.gz XYORUSJQNWAHLU-KXBFYZLASA-N 0 3 322.412 2.400 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nc(CC)oc2C)C1 ZINC001099073806 792078511 /nfs/dbraw/zinc/07/85/11/792078511.db2.gz LITZZTHYJZGYMI-GUYCJALGSA-N 0 3 303.406 2.316 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCOCC(F)F ZINC001099079199 792079051 /nfs/dbraw/zinc/07/90/51/792079051.db2.gz AZTJPJVLJBTUBJ-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ncoc2C2CC2)C1 ZINC001099108262 792097711 /nfs/dbraw/zinc/09/77/11/792097711.db2.gz MXIAAAVTMVGOPL-GUYCJALGSA-N 0 3 301.390 2.322 20 30 DEEDHN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001099107244 792098195 /nfs/dbraw/zinc/09/81/95/792098195.db2.gz XEUVIGSHUPLDIC-MRXNPFEDSA-N 0 3 319.493 2.101 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(CCC)n2)C1 ZINC001099118216 792102738 /nfs/dbraw/zinc/10/27/38/792102738.db2.gz IKDXGBQNKCAVSY-GUYCJALGSA-N 0 3 303.406 2.397 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccccc2-c2cn[nH]c2)[C@H](C)C1 ZINC001092666712 792107113 /nfs/dbraw/zinc/10/71/13/792107113.db2.gz XLIQEXJPARPZFR-GDBMZVCRSA-N 0 3 322.412 2.008 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2OC)C1 ZINC001099132027 792108824 /nfs/dbraw/zinc/10/88/24/792108824.db2.gz VVEXXFIUFQZRPZ-KSSFIOAISA-N 0 3 300.402 2.466 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc3nc(C)oc3c2)[C@H](C)C1 ZINC001092696119 792111782 /nfs/dbraw/zinc/11/17/82/792111782.db2.gz OAYRNOGUZWZPEM-IUODEOHRSA-N 0 3 311.385 2.067 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)COC ZINC001099145118 792115115 /nfs/dbraw/zinc/11/51/15/792115115.db2.gz QQHVJBIVKQTCBO-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc3cccnc32)[C@H](C)C1 ZINC001092787683 792127282 /nfs/dbraw/zinc/12/72/82/792127282.db2.gz ADZLZYTTWGUJDL-GDBMZVCRSA-N 0 3 307.397 2.166 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001099190082 792133151 /nfs/dbraw/zinc/13/31/51/792133151.db2.gz AOFBNPGVIBCGLV-AYBZRNKSSA-N 0 3 318.461 2.043 20 30 DEEDHN CC(C)N(C)CC(=O)NCC[C@@H](C)Nc1cccc(F)c1C#N ZINC001099218288 792141536 /nfs/dbraw/zinc/14/15/36/792141536.db2.gz GNYCIZZZOAEGLN-CYBMUJFWSA-N 0 3 320.412 2.344 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C(F)(F)F ZINC001099238506 792147482 /nfs/dbraw/zinc/14/74/82/792147482.db2.gz RILKYGLDZUSHSN-CHWSQXEVSA-N 0 3 315.339 2.194 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC001092862427 792153737 /nfs/dbraw/zinc/15/37/37/792153737.db2.gz SBHKDCYHDXTASN-GDBMZVCRSA-N 0 3 322.412 2.008 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1C(F)(F)F ZINC001099267822 792156227 /nfs/dbraw/zinc/15/62/27/792156227.db2.gz NTXCPIGMZLOLLT-IVZWLZJFSA-N 0 3 312.282 2.197 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1C(F)(F)F ZINC001099312778 792169206 /nfs/dbraw/zinc/16/92/06/792169206.db2.gz GRAQNLWVJOZUSR-QJPTWQEYSA-N 0 3 302.340 2.342 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(CC)c(CC)o2)[C@H](C)C1 ZINC001093134155 792247341 /nfs/dbraw/zinc/24/73/41/792247341.db2.gz WKAXEINYOPCPMD-UKRRQHHQSA-N 0 3 302.418 2.335 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C[C@H]1O ZINC001099723362 792328102 /nfs/dbraw/zinc/32/81/02/792328102.db2.gz GVTWTKYORZNDQY-QZTJIDSGSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(F)F)CC1 ZINC001093350715 792329718 /nfs/dbraw/zinc/32/97/18/792329718.db2.gz DOZPSIGAAZJQGX-AWEZNQCLSA-N 0 3 310.388 2.368 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCc2ccc(C)cc2)C[C@H]1O ZINC001099727546 792330975 /nfs/dbraw/zinc/33/09/75/792330975.db2.gz QMTHGOLSKBHNAX-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccc(C)cc2)[C@H](O)C1 ZINC001099911398 792398546 /nfs/dbraw/zinc/39/85/46/792398546.db2.gz IRXLDJBIAIAWER-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099946987 792412750 /nfs/dbraw/zinc/41/27/50/792412750.db2.gz OSNQUHJJMSXMTH-DLBZAZTESA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)o1)C2 ZINC001110146335 792419893 /nfs/dbraw/zinc/41/98/93/792419893.db2.gz VPOXPWBUNYCRDC-PVAVHDDUSA-N 0 3 300.402 2.265 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099962828 792422498 /nfs/dbraw/zinc/42/24/98/792422498.db2.gz UVYNTAGJYYRTKG-ROUUACIJSA-N 0 3 318.461 2.232 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)[C@@H](O)C1 ZINC001100133495 792483496 /nfs/dbraw/zinc/48/34/96/792483496.db2.gz AUCCZERLFYSKPH-MSOLQXFVSA-N 0 3 322.493 2.270 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@H]2CCOC2)C1 ZINC001100232351 792532347 /nfs/dbraw/zinc/53/23/47/792532347.db2.gz HFUBJYFARHPXNM-HSBZDZAISA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001100455763 792661721 /nfs/dbraw/zinc/66/17/21/792661721.db2.gz CJVKGFDMELQIMI-UHFFFAOYSA-N 0 3 311.788 2.000 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](OC)C2CCC2)C1 ZINC001100539911 792712428 /nfs/dbraw/zinc/71/24/28/792712428.db2.gz CHNICBNMYHTBOL-UXUKBGGZSA-N 0 3 300.830 2.038 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(F)cc3)CCC[C@@H]12 ZINC001094350986 792848602 /nfs/dbraw/zinc/84/86/02/792848602.db2.gz CCGBIOJGESPMPW-SJLPKXTDSA-N 0 3 300.377 2.433 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cccc(OC)c2)C1 ZINC001100939810 792929195 /nfs/dbraw/zinc/92/91/95/792929195.db2.gz WVLBJCLDICYGOU-UHFFFAOYSA-N 0 3 322.836 2.475 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccncc3Cl)CCC[C@@H]12 ZINC001094522990 792963729 /nfs/dbraw/zinc/96/37/29/792963729.db2.gz MICWXIAKEGUHJO-NVXWUHKLSA-N 0 3 317.820 2.343 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170487 793051347 /nfs/dbraw/zinc/05/13/47/793051347.db2.gz IBVKNUVXYMGWGB-LMMKCTJWSA-N 0 3 320.477 2.099 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC(F)F)C[C@]2(C)C1 ZINC001101266687 793089697 /nfs/dbraw/zinc/08/96/97/793089697.db2.gz PGROCIYMCWMUKF-DYVFJYSZSA-N 0 3 312.404 2.471 20 30 DEEDHN C#CCCN1CCC[C@H](N[C@@H]2CSc3ccccc3C2)C1=O ZINC001172204462 793364736 /nfs/dbraw/zinc/36/47/36/793364736.db2.gz PKYXUOVMTVDBMQ-HOTGVXAUSA-N 0 3 314.454 2.307 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2ccc(OC)nc2)C[C@H]1C ZINC001101805288 793385935 /nfs/dbraw/zinc/38/59/35/793385935.db2.gz LDKSKSWAWXIXMU-GDBMZVCRSA-N 0 3 317.433 2.241 20 30 DEEDHN COC(=O)N1CCCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172316004 793396037 /nfs/dbraw/zinc/39/60/37/793396037.db2.gz QPYVDJHPGDDRCU-CQSZACIVSA-N 0 3 301.390 2.263 20 30 DEEDHN Cc1oncc1CN1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101954812 793459714 /nfs/dbraw/zinc/45/97/14/793459714.db2.gz DZBIMZLDNSDSTA-UKRRQHHQSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCOCCCCC(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001101969277 793464468 /nfs/dbraw/zinc/46/44/68/793464468.db2.gz NZVBLRADDTXFNJ-HZPDHXFCSA-N 0 3 314.445 2.403 20 30 DEEDHN COC1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172981350 793549999 /nfs/dbraw/zinc/54/99/99/793549999.db2.gz VDVRHGYQWUYMJZ-KBPBESRZSA-N 0 3 323.437 2.389 20 30 DEEDHN C[C@@H]1CC[C@H](O)CN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981670 793550875 /nfs/dbraw/zinc/55/08/75/793550875.db2.gz XYZWSXXILINSMA-QPSCCSFWSA-N 0 3 323.437 2.123 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CN(CC#CCOC)C[C@H]2C)CC1 ZINC001102316173 793571048 /nfs/dbraw/zinc/57/10/48/793571048.db2.gz LYPFMDQPLHIOPG-SJLPKXTDSA-N 0 3 318.461 2.067 20 30 DEEDHN C=CCCC1(C(=O)NC[C@@H]2CN(CC#CCOC)C[C@H]2C)CC1 ZINC001102326406 793574482 /nfs/dbraw/zinc/57/44/82/793574482.db2.gz QTPIWMZRYJAFPB-IAGOWNOFSA-N 0 3 318.461 2.067 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CCC(C)(C)C)[C@H](C)C1 ZINC001102474097 793625789 /nfs/dbraw/zinc/62/57/89/793625789.db2.gz FVWKBTATZBTDPD-HZPDHXFCSA-N 0 3 308.466 2.147 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001102508426 793636507 /nfs/dbraw/zinc/63/65/07/793636507.db2.gz QVJNKSJFBNRXSC-KZNAEPCWSA-N 0 3 322.493 2.393 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102610632 793671732 /nfs/dbraw/zinc/67/17/32/793671732.db2.gz MEAVJJSUXQDCBI-ZKZVFAFKSA-N 0 3 300.830 2.014 20 30 DEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](CCNC(C)=O)C1 ZINC001102627641 793677137 /nfs/dbraw/zinc/67/71/37/793677137.db2.gz KMMBPPAUKASSOI-CZUORRHYSA-N 0 3 315.417 2.161 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CSCC#N)C1 ZINC001102684616 793710765 /nfs/dbraw/zinc/71/07/65/793710765.db2.gz CERCATUEVZAUGA-DGCLKSJQSA-N 0 3 315.870 2.070 20 30 DEEDHN COc1ccc(C(=O)N2CCC(N[C@@H](C)CC#N)CC2)cc1 ZINC001173405191 793713558 /nfs/dbraw/zinc/71/35/58/793713558.db2.gz VLCSAQOTEFKZNG-ZDUSSCGKSA-N 0 3 301.390 2.192 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cncnc2C)C1 ZINC001102713818 793724325 /nfs/dbraw/zinc/72/43/25/793724325.db2.gz SMPOGNBVFPYAOW-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001102746188 793735967 /nfs/dbraw/zinc/73/59/67/793735967.db2.gz BHPZABJHDVSREH-QLFBSQMISA-N 0 3 300.418 2.011 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2nccc(C)n2)C1 ZINC001102928287 793825264 /nfs/dbraw/zinc/82/52/64/793825264.db2.gz SFPLWUMAQRLPAO-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccnnc2C)C1 ZINC001103190797 793976741 /nfs/dbraw/zinc/97/67/41/793976741.db2.gz VZXBVHDIRBVFQL-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2conc2C)C1 ZINC001103392626 794069207 /nfs/dbraw/zinc/06/92/07/794069207.db2.gz MFFCTXBGUOUMCT-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174832715 794074147 /nfs/dbraw/zinc/07/41/47/794074147.db2.gz FBYIFSOQNIZOLL-ZFWWWQNUSA-N 0 3 321.469 2.480 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1ccc(F)cc1 ZINC001175794582 794291179 /nfs/dbraw/zinc/29/11/79/794291179.db2.gz LWJQKWKODCDNDN-UHFFFAOYSA-N 0 3 300.761 2.053 20 30 DEEDHN CC(C)N(C)CC(=O)NC[C@@H](C)CNc1cccc(F)c1C#N ZINC001104000891 794341604 /nfs/dbraw/zinc/34/16/04/794341604.db2.gz VYGNWDPEPASOPT-ZDUSSCGKSA-N 0 3 320.412 2.202 20 30 DEEDHN C=C[C@H](C(=O)NCCCNCc1cnc(C)cn1)c1ccccc1 ZINC001176785811 794492711 /nfs/dbraw/zinc/49/27/11/794492711.db2.gz NVYHWJHIZDDOLX-SFHVURJKSA-N 0 3 324.428 2.351 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc(OCC)c1 ZINC001177074226 794575968 /nfs/dbraw/zinc/57/59/68/794575968.db2.gz LWLUQOXIYMJUFU-UHFFFAOYSA-N 0 3 310.825 2.476 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)Nc1cnn2c1OCCC2 ZINC001177909832 794773739 /nfs/dbraw/zinc/77/37/39/794773739.db2.gz ZOWQTGWYDKGCEN-JTQLQIEISA-N 0 3 302.359 2.048 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)N1CCC(n2ccnc2)CC1 ZINC001177909300 794773878 /nfs/dbraw/zinc/77/38/78/794773878.db2.gz KLAAPSPPYYMJER-ZDUSSCGKSA-N 0 3 314.414 2.491 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnc(C)[nH]2)CCCCC1 ZINC001115448301 794776118 /nfs/dbraw/zinc/77/61/18/794776118.db2.gz FNNGEVAXXMTAJI-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN O=C(C#CC1CC1)NCC1(NCc2cncs2)CCCCC1 ZINC001115528677 794811339 /nfs/dbraw/zinc/81/13/39/794811339.db2.gz YEKBWJYYVXLQHP-UHFFFAOYSA-N 0 3 317.458 2.465 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178180137 794853525 /nfs/dbraw/zinc/85/35/25/794853525.db2.gz ZYGGXOBRSSBUQZ-HUBLWGQQSA-N 0 3 321.446 2.124 20 30 DEEDHN Cc1ncc(CNCCCCCCNC(=O)C#CC2CC2)o1 ZINC001178446069 794916613 /nfs/dbraw/zinc/91/66/13/794916613.db2.gz KEJSGJTVWARVTQ-UHFFFAOYSA-N 0 3 303.406 2.163 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001178580274 794946218 /nfs/dbraw/zinc/94/62/18/794946218.db2.gz TXQXLFYQDSUKEO-UHFFFAOYSA-N 0 3 321.469 2.482 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)[C@@H]1C ZINC001178503889 794946704 /nfs/dbraw/zinc/94/67/04/794946704.db2.gz VNKASYSBSSYBMG-YOEHRIQHSA-N 0 3 317.408 2.493 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001178645775 794963995 /nfs/dbraw/zinc/96/39/95/794963995.db2.gz RUOJBDLXLQOEKU-ZFWWWQNUSA-N 0 3 319.836 2.473 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1CCN(C(=O)C#CC(C)C)[C@H]1C ZINC001178649159 794964370 /nfs/dbraw/zinc/96/43/70/794964370.db2.gz YCPRPKDLCXDPLC-BBRMVZONSA-N 0 3 319.474 2.498 20 30 DEEDHN C#CC[NH2+]CCCCCCNC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001178943066 795035531 /nfs/dbraw/zinc/03/55/31/795035531.db2.gz GWYUPZGXHFQXQL-UHFFFAOYSA-N 0 3 322.840 2.454 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCCCCN[C@H](C)c1nncn1C ZINC001179235194 795081971 /nfs/dbraw/zinc/08/19/71/795081971.db2.gz JHFVXSONMGTVKF-CQSZACIVSA-N 0 3 321.469 2.355 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001179384731 795110629 /nfs/dbraw/zinc/11/06/29/795110629.db2.gz VIUIUDSZFBTFQO-KMFMINBZSA-N 0 3 318.465 2.410 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)[C@@H]1C ZINC001179451653 795116727 /nfs/dbraw/zinc/11/67/27/795116727.db2.gz CZVNWHLIKCRFEG-ILXRZTDVSA-N 0 3 323.481 2.225 20 30 DEEDHN C=CCCCC(=O)NCCCCCCN[C@@H](C)c1nncn1C ZINC001179426013 795116744 /nfs/dbraw/zinc/11/67/44/795116744.db2.gz MVSUVCREVVPXIJ-HNNXBMFYSA-N 0 3 321.469 2.499 20 30 DEEDHN Cc1cnoc1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179841482 795186602 /nfs/dbraw/zinc/18/66/02/795186602.db2.gz YCPLSUMMJAABPZ-RDJZCZTQSA-N 0 3 323.396 2.227 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001149082063 795213013 /nfs/dbraw/zinc/21/30/13/795213013.db2.gz JZCINGFDIJDUBU-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC001119532333 795318719 /nfs/dbraw/zinc/31/87/19/795318719.db2.gz IROUUQXNGBUFRI-MVGZEHJDSA-N 0 3 300.402 2.192 20 30 DEEDHN C=CCSCC(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001180559202 795330919 /nfs/dbraw/zinc/33/09/19/795330919.db2.gz JSQGZGVNEZMWDT-UHFFFAOYSA-N 0 3 322.478 2.054 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cn2ccnc2C)CCCCC1 ZINC001120140291 795411148 /nfs/dbraw/zinc/41/11/48/795411148.db2.gz ADXBXPWPBIZNHW-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN C#C[C@@H](NC1CCC2(CS(=O)(=O)C2)CC1)c1ccc(F)cc1 ZINC001182021201 795596876 /nfs/dbraw/zinc/59/68/76/795596876.db2.gz SQAGPGMWOJSDFB-MRXNPFEDSA-N 0 3 321.417 2.447 20 30 DEEDHN CC[C@H](C)N1CCN(c2nnc(CCCC#N)n2CC)CC1 ZINC001121759262 795683757 /nfs/dbraw/zinc/68/37/57/795683757.db2.gz PMFLRNGOYDZDMS-AWEZNQCLSA-N 0 3 304.442 2.065 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](F)C(C)C)CC1 ZINC001151248002 795710927 /nfs/dbraw/zinc/71/09/27/795710927.db2.gz HFSCMCIJZBFFSK-CQSZACIVSA-N 0 3 300.418 2.154 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc2cccc(C)c2n1C ZINC001122053911 795721238 /nfs/dbraw/zinc/72/12/38/795721238.db2.gz HLFMOGUNNREGNN-CYBMUJFWSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001122625363 795786424 /nfs/dbraw/zinc/78/64/24/795786424.db2.gz GMWCYYYEQUCAIG-AWEZNQCLSA-N 0 3 321.469 2.218 20 30 DEEDHN CN1CCC[C@H]2CN(C(=O)C3(c4ccccc4C#N)CC3)C[C@H]21 ZINC001183293048 795846465 /nfs/dbraw/zinc/84/64/65/795846465.db2.gz JFMXXQMGDDQQHV-DOTOQJQBSA-N 0 3 309.413 2.142 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@H]2CC=CCC2)ccc1F ZINC001123381579 795903861 /nfs/dbraw/zinc/90/38/61/795903861.db2.gz MECVGCYBPXSRSM-AWEZNQCLSA-N 0 3 301.365 2.259 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001183794091 795937297 /nfs/dbraw/zinc/93/72/97/795937297.db2.gz VTNOTRFISFNVGL-QZTJIDSGSA-N 0 3 312.413 2.018 20 30 DEEDHN C=C[C@@H](C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001123774270 795974816 /nfs/dbraw/zinc/97/48/16/795974816.db2.gz ZPPRIKAPXNSDRF-QGZVFWFLSA-N 0 3 315.461 2.098 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001184076945 795981332 /nfs/dbraw/zinc/98/13/32/795981332.db2.gz DSLNGHRDRUDSRW-OLZOCXBDSA-N 0 3 308.451 2.079 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@](O)(CF)CC2)cc1OC ZINC001138343650 796201334 /nfs/dbraw/zinc/20/13/34/796201334.db2.gz NOJZDRQWZKLLAL-SFHVURJKSA-N 0 3 321.392 2.394 20 30 DEEDHN C#CCOc1ccc(CN(C)CCC(=O)OCC)cc1OC ZINC001138348434 796203278 /nfs/dbraw/zinc/20/32/78/796203278.db2.gz JLAFJHVWYKOOIO-UHFFFAOYSA-N 0 3 305.374 2.092 20 30 DEEDHN C=CCc1cccc(CN2CC(N(C)[C@H]3CCOC3)C2)c1O ZINC001138627926 796246320 /nfs/dbraw/zinc/24/63/20/796246320.db2.gz JYGMRLMHCSWMEL-INIZCTEOSA-N 0 3 302.418 2.026 20 30 DEEDHN C=CCc1cccc(CN2CCN(c3cccnn3)CC2)c1O ZINC001138627770 796246553 /nfs/dbraw/zinc/24/65/53/796246553.db2.gz FOODNCQULOGRFA-UHFFFAOYSA-N 0 3 310.401 2.233 20 30 DEEDHN C=C(C)COc1ccccc1CN1CC[C@@](C)(CO)[C@H](O)C1 ZINC001138662116 796254202 /nfs/dbraw/zinc/25/42/02/796254202.db2.gz OUUVTUXRGRTVGC-MSOLQXFVSA-N 0 3 305.418 2.207 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001185567417 796284156 /nfs/dbraw/zinc/28/41/56/796284156.db2.gz PRGTXYUXOLEFCW-HZPDHXFCSA-N 0 3 306.450 2.328 20 30 DEEDHN C#C[C@H]1CCCN(Cc2ccccc2OCC(=O)OCC)C1 ZINC001139135442 796332316 /nfs/dbraw/zinc/33/23/16/796332316.db2.gz BHANOVICQQMBLL-HNNXBMFYSA-N 0 3 301.386 2.474 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)CCOC ZINC001151533163 796351213 /nfs/dbraw/zinc/35/12/13/796351213.db2.gz AZYYZYBGYJNRDO-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN N#Cc1cccc2c(CN3CCC[C@@H](n4ccnn4)C3)c[nH]c21 ZINC001139707377 796413363 /nfs/dbraw/zinc/41/33/63/796413363.db2.gz YHJQIRWKSMRKEQ-OAHLLOKOSA-N 0 3 306.373 2.468 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(Br)c[nH]1 ZINC001139865867 796438339 /nfs/dbraw/zinc/43/83/39/796438339.db2.gz VBMBGSOHENBFOV-UHFFFAOYSA-N 0 3 314.227 2.357 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCc2ccccc2O1 ZINC001139869781 796439639 /nfs/dbraw/zinc/43/96/39/796439639.db2.gz SXNUZNCLGLLDAA-QGZVFWFLSA-N 0 3 302.418 2.347 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnn(C3CCCC3)c2C)C1 ZINC001186959426 796466051 /nfs/dbraw/zinc/46/60/51/796466051.db2.gz MLZLSNROFLXOAX-OAHLLOKOSA-N 0 3 314.433 2.134 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001187004072 796476343 /nfs/dbraw/zinc/47/63/43/796476343.db2.gz IEKVJLNOGIQTBJ-OAHLLOKOSA-N 0 3 314.433 2.285 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CNC(=O)O4)CC3)c2c1 ZINC001140114877 796478952 /nfs/dbraw/zinc/47/89/52/796478952.db2.gz DOXIPLCEWPBEDH-UHFFFAOYSA-N 0 3 310.357 2.114 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)CC12CC2 ZINC001140118796 796480137 /nfs/dbraw/zinc/48/01/37/796480137.db2.gz IPFLJWPQLLBQLT-HNNXBMFYSA-N 0 3 309.369 2.425 20 30 DEEDHN CCN1CCN(c2ccc(CN3C[C@@H](F)C[C@H]3C#N)cc2)CC1 ZINC001140309623 796505041 /nfs/dbraw/zinc/50/50/41/796505041.db2.gz ODDVZVFTQJMILM-WMZOPIPTSA-N 0 3 316.424 2.264 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001187341371 796528926 /nfs/dbraw/zinc/52/89/26/796528926.db2.gz UCYRJRLOWQHLTQ-CVEARBPZSA-N 0 3 323.481 2.158 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2CN(CCOCCC(C)C)C[C@H]21 ZINC001187714049 796567712 /nfs/dbraw/zinc/56/77/12/796567712.db2.gz JVEOXXWIYJGAFS-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001187960865 796608642 /nfs/dbraw/zinc/60/86/42/796608642.db2.gz MRWSGKMTWNJQLN-GXTWGEPZSA-N 0 3 306.356 2.282 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C(C)(C)c2ccc(OC)cc2)C1 ZINC001188010683 796611308 /nfs/dbraw/zinc/61/13/08/796611308.db2.gz UQLZCOIUWVTVMF-MRXNPFEDSA-N 0 3 314.429 2.187 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001188309657 796655664 /nfs/dbraw/zinc/65/56/64/796655664.db2.gz GJZXMPNMNLCZEI-TZMCWYRMSA-N 0 3 323.462 2.042 20 30 DEEDHN O=C1C=C2CN(Cc3cnc(C(F)(F)F)nc3)CCC2S1 ZINC001141456243 796668402 /nfs/dbraw/zinc/66/84/02/796668402.db2.gz PIUCINKPNPNLHH-SNVBAGLBSA-N 0 3 315.320 2.270 20 30 DEEDHN C#CC[C@H](CC(=O)N1CC[C@@H](NCC#CC)C1)c1ccccc1 ZINC001188438409 796670115 /nfs/dbraw/zinc/67/01/15/796670115.db2.gz MXLRNZLKGQQQOJ-RTBURBONSA-N 0 3 308.425 2.397 20 30 DEEDHN CN(C)C1(C)CN(Cc2cc(Br)ccc2C#N)C1 ZINC001141903215 796697795 /nfs/dbraw/zinc/69/77/95/796697795.db2.gz WABUFJMSEQGBFP-UHFFFAOYSA-N 0 3 308.223 2.457 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001189371764 796813739 /nfs/dbraw/zinc/81/37/39/796813739.db2.gz SDFFCTCWSXIPRV-KRWDZBQOSA-N 0 3 320.408 2.391 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150247175 796930430 /nfs/dbraw/zinc/93/04/30/796930430.db2.gz NAAOWFYRXINNEV-HOCLYGCPSA-N 0 3 300.418 2.155 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)c2ccsc2)C1 ZINC001150317014 796934826 /nfs/dbraw/zinc/93/48/26/796934826.db2.gz GQAMNTLQFQLZAZ-HOCLYGCPSA-N 0 3 320.458 2.082 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)c2ccco2)C1 ZINC001150318883 796935237 /nfs/dbraw/zinc/93/52/37/796935237.db2.gz VMUOZKOXKMREFT-HUUCEWRRSA-N 0 3 306.406 2.166 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(F)(F)F)C2 ZINC001110422474 796941953 /nfs/dbraw/zinc/94/19/53/796941953.db2.gz BINLOUZRQLHKMX-UPJWGTAASA-N 0 3 320.355 2.253 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(CC=C)CC=C)C1 ZINC001190354069 796985782 /nfs/dbraw/zinc/98/57/82/796985782.db2.gz GTIZQIOKAOHGFO-QGZVFWFLSA-N 0 3 306.450 2.490 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)C(C)(C)CCCCC)C1=O ZINC001151864119 796997176 /nfs/dbraw/zinc/99/71/76/796997176.db2.gz QUSVXTSEDDKCCL-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CN(CCN(C)C(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC001190590825 797036160 /nfs/dbraw/zinc/03/61/60/797036160.db2.gz XFOKZHFENMYHRH-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(C)(C)CC(F)F)C1 ZINC001190603561 797039046 /nfs/dbraw/zinc/03/90/46/797039046.db2.gz FBXISXAVROFMKJ-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC001191207513 797155656 /nfs/dbraw/zinc/15/56/56/797155656.db2.gz PTABMMXPMCLOFX-GOSISDBHSA-N 0 3 316.445 2.273 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)CC(F)F)C1 ZINC001191407235 797195226 /nfs/dbraw/zinc/19/52/26/797195226.db2.gz MLROSQJBIJQGAB-STQMWFEESA-N 0 3 304.381 2.013 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CCCF)C1 ZINC001191799138 797265387 /nfs/dbraw/zinc/26/53/87/797265387.db2.gz JRZNMBANDXMSLV-INIZCTEOSA-N 0 3 303.381 2.341 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC001191900191 797283426 /nfs/dbraw/zinc/28/34/26/797283426.db2.gz AKPFHNJLKPSRKI-WBVHZDCISA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCNCc1ccccc1OC1CC1 ZINC001153149302 797291164 /nfs/dbraw/zinc/29/11/64/797291164.db2.gz VDYYMSCAAIXGIC-AWEZNQCLSA-N 0 3 318.417 2.025 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2C)C1 ZINC001192078076 797312160 /nfs/dbraw/zinc/31/21/60/797312160.db2.gz ANDQEWLHECWHON-HZPDHXFCSA-N 0 3 319.449 2.135 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccn2c(C)cnc2c1 ZINC001153361909 797328070 /nfs/dbraw/zinc/32/80/70/797328070.db2.gz HDPGTCTVDALJKW-CQSZACIVSA-N 0 3 312.417 2.106 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001192180655 797341553 /nfs/dbraw/zinc/34/15/53/797341553.db2.gz KUDRZOONLLXXPZ-KRWDZBQOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)CCOC3CCC3)C2)C1 ZINC001192255782 797344590 /nfs/dbraw/zinc/34/45/90/797344590.db2.gz AXEUDYHDDSFIML-HNNXBMFYSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2csc(C)n2)[C@H](OC)C1 ZINC001213325816 797344599 /nfs/dbraw/zinc/34/45/99/797344599.db2.gz JDMNYXXGOMVFEQ-UXIGCNINSA-N 0 3 323.462 2.235 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001153587930 797358153 /nfs/dbraw/zinc/35/81/53/797358153.db2.gz DBBZQCMRZLWTHQ-CYBMUJFWSA-N 0 3 314.857 2.242 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001192320885 797361257 /nfs/dbraw/zinc/36/12/57/797361257.db2.gz NKDGKLVPAABFGZ-QZTJIDSGSA-N 0 3 320.477 2.312 20 30 DEEDHN C#CC[C@@H](CC(=O)NCCNCc1cccnc1)c1ccccc1 ZINC001153714460 797380111 /nfs/dbraw/zinc/38/01/11/797380111.db2.gz MLPYDHSQAQVGQQ-IBGZPJMESA-N 0 3 321.424 2.485 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001153755112 797386944 /nfs/dbraw/zinc/38/69/44/797386944.db2.gz CZBPIMVSPRAOJQ-SJLPKXTDSA-N 0 3 313.445 2.115 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN([C@H](CC)c2ccccc2)C[C@H]1O ZINC001192517476 797399581 /nfs/dbraw/zinc/39/95/81/797399581.db2.gz GSGCJLIAAGAVKN-KZNAEPCWSA-N 0 3 314.429 2.103 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)N(CC)CC)CCCC1 ZINC001153809160 797400410 /nfs/dbraw/zinc/40/04/10/797400410.db2.gz CXKVCPRCYIJUOC-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(NC(C)=O)cc1C ZINC001192520945 797401259 /nfs/dbraw/zinc/40/12/59/797401259.db2.gz ZENPUDOPAHGZMI-INIZCTEOSA-N 0 3 315.417 2.334 20 30 DEEDHN C=CCC[C@H](C(=O)NCCNCC#CCOC)c1ccccc1 ZINC001153816764 797402485 /nfs/dbraw/zinc/40/24/85/797402485.db2.gz HZJJSEKAGKMLAA-SFHVURJKSA-N 0 3 314.429 2.092 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1c(C)noc1C ZINC001154074323 797456942 /nfs/dbraw/zinc/45/69/42/797456942.db2.gz MRLZGWHYIHCCAM-QWHCGFSZSA-N 0 3 305.422 2.245 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001192953293 797474627 /nfs/dbraw/zinc/47/46/27/797474627.db2.gz FZCMCHLTPAURRQ-BZUAXINKSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001193774632 797619062 /nfs/dbraw/zinc/61/90/62/797619062.db2.gz RKPSZDJJGRWKKG-IUIKQTSFSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001194584057 797748185 /nfs/dbraw/zinc/74/81/85/797748185.db2.gz LXJGXCWRLVUTHC-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@H]1O ZINC001195307168 797875269 /nfs/dbraw/zinc/87/52/69/797875269.db2.gz PNAOPUCRZPJICN-DJIMGWMZSA-N 0 3 316.445 2.430 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001195401004 797893158 /nfs/dbraw/zinc/89/31/58/797893158.db2.gz QWDITQFYEQPPFR-JFIYKMOQSA-N 0 3 308.466 2.474 20 30 DEEDHN CC/C=C/CCN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001195426076 797906214 /nfs/dbraw/zinc/90/62/14/797906214.db2.gz HUCHYTRDTTWYSX-ONEGZZNKSA-N 0 3 300.406 2.391 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(CC2CCCC2)c1 ZINC001156082453 797921689 /nfs/dbraw/zinc/92/16/89/797921689.db2.gz CRPYGUIMJWDGPM-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001195525563 797922243 /nfs/dbraw/zinc/92/22/43/797922243.db2.gz OSZOMJRUKFDIDA-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CCc1ccoc1 ZINC001156394881 797992108 /nfs/dbraw/zinc/99/21/08/797992108.db2.gz WKNUZKKVXCDIPE-UHFFFAOYSA-N 0 3 315.211 2.217 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)CCc1ccoc1 ZINC001156399691 797992621 /nfs/dbraw/zinc/99/26/21/797992621.db2.gz BFPUOCCNUDRPPH-UHFFFAOYSA-N 0 3 311.385 2.380 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](CC)SC ZINC001156634645 798047353 /nfs/dbraw/zinc/04/73/53/798047353.db2.gz RFVSELUUVSJMNU-SNVBAGLBSA-N 0 3 309.273 2.133 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(OC)ccc1OC ZINC001156667857 798057880 /nfs/dbraw/zinc/05/78/80/798057880.db2.gz HSJSUNPYTYZJAS-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cncn2C)CC1 ZINC001196430867 798058092 /nfs/dbraw/zinc/05/80/92/798058092.db2.gz XENJQVWCNJMDEH-UHFFFAOYSA-N 0 3 304.438 2.314 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnn(C)c1C(F)(F)F ZINC001156668710 798058397 /nfs/dbraw/zinc/05/83/97/798058397.db2.gz WVVXEYTVYJUTFI-UHFFFAOYSA-N 0 3 318.343 2.019 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)cc(OC)c1O ZINC001156672031 798060011 /nfs/dbraw/zinc/06/00/11/798060011.db2.gz CJMRFFBHOXVVBZ-UHFFFAOYSA-N 0 3 306.406 2.289 20 30 DEEDHN N#Cc1ccc(C2CCN(c3cc4c(nn3)CCNC4)CC2)cc1 ZINC001156766223 798079495 /nfs/dbraw/zinc/07/94/95/798079495.db2.gz TZVYZCMWGNLFOW-UHFFFAOYSA-N 0 3 319.412 2.378 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCn1ccc2ccccc21 ZINC001156802349 798084610 /nfs/dbraw/zinc/08/46/10/798084610.db2.gz CFOAJFXCDGONHG-MRXNPFEDSA-N 0 3 311.429 2.491 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1c(C)nn(C)c1Cl ZINC001156812186 798085784 /nfs/dbraw/zinc/08/57/84/798085784.db2.gz QXVUWOSXUTYQDF-UHFFFAOYSA-N 0 3 324.856 2.171 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCOCc1ccccc1 ZINC001156982350 798122629 /nfs/dbraw/zinc/12/26/29/798122629.db2.gz FEAFMMFTJWUDTG-MRXNPFEDSA-N 0 3 302.418 2.053 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001157052698 798133986 /nfs/dbraw/zinc/13/39/86/798133986.db2.gz AAKNZKSTRRHKSI-WBVHZDCISA-N 0 3 304.409 2.417 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001197067802 798143767 /nfs/dbraw/zinc/14/37/67/798143767.db2.gz ZBKAXLUWSQDDPH-IAGOWNOFSA-N 0 3 319.449 2.135 20 30 DEEDHN CSc1nc(Cl)c(C#N)c(N2C[C@@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157260926 798171052 /nfs/dbraw/zinc/17/10/52/798171052.db2.gz ODSYQLXAXXWJBY-GXSJLCMTSA-N 0 3 323.853 2.254 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(c2ccccc2OC)CC1 ZINC001157307595 798180637 /nfs/dbraw/zinc/18/06/37/798180637.db2.gz KJIMKMLMWPBUKL-OAHLLOKOSA-N 0 3 314.429 2.187 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CC(C)(C)CO1 ZINC001110494121 798229259 /nfs/dbraw/zinc/22/92/59/798229259.db2.gz IKYPHVBCIIHSFR-TWMKSMIVSA-N 0 3 318.461 2.327 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001152379592 798264605 /nfs/dbraw/zinc/26/46/05/798264605.db2.gz VOIBPYASVWMQII-MRXNPFEDSA-N 0 3 306.450 2.353 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)cc(N(C)C)c1 ZINC001198138201 798283336 /nfs/dbraw/zinc/28/33/36/798283336.db2.gz PXFJSVZMWIVYAD-HNNXBMFYSA-N 0 3 305.397 2.272 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2cccn2cn1 ZINC001158118072 798346754 /nfs/dbraw/zinc/34/67/54/798346754.db2.gz RSCNTTBLMIKXSH-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H](NCC)c2ccccc2OC)c1 ZINC001198895702 798407790 /nfs/dbraw/zinc/40/77/90/798407790.db2.gz WHDQDHRAFFANQX-QGZVFWFLSA-N 0 3 323.396 2.152 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001158486415 798414667 /nfs/dbraw/zinc/41/46/67/798414667.db2.gz BEAZIULWBPFGQG-CABCVRRESA-N 0 3 315.889 2.392 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001199191707 798445046 /nfs/dbraw/zinc/44/50/46/798445046.db2.gz KPJJKGDQNJTBIX-QZTJIDSGSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCN[C@H](C)c1cnccn1 ZINC001158746648 798462599 /nfs/dbraw/zinc/46/25/99/798462599.db2.gz DPPIHLLOHQKLON-CQSZACIVSA-N 0 3 302.422 2.402 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001158856975 798479302 /nfs/dbraw/zinc/47/93/02/798479302.db2.gz TYJXSFJLHDTYGU-OAHLLOKOSA-N 0 3 313.873 2.148 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCNC(=O)CC(C)C ZINC001158971575 798497866 /nfs/dbraw/zinc/49/78/66/798497866.db2.gz VWZYUQXBAYWIAC-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O)c1ccccc1 ZINC001199567083 798500424 /nfs/dbraw/zinc/50/04/24/798500424.db2.gz JFRDFUMSIZSXCY-KZNAEPCWSA-N 0 3 316.445 2.306 20 30 DEEDHN CC(=O)NCCC1=CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001158996625 798501441 /nfs/dbraw/zinc/50/14/41/798501441.db2.gz IXDLXPRPXVSHCF-UHFFFAOYSA-N 0 3 313.401 2.247 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCCNCc1conc1CC)OCC ZINC001159148163 798529262 /nfs/dbraw/zinc/52/92/62/798529262.db2.gz AZBJFXRVEUXMEM-MRXNPFEDSA-N 0 3 323.437 2.204 20 30 DEEDHN CCOC(=O)[C@@H](C#N)Nc1ccc([C@H]2CCCCN2CC)cn1 ZINC001159326818 798552337 /nfs/dbraw/zinc/55/23/37/798552337.db2.gz OZTJPRSFJXFMOS-HUUCEWRRSA-N 0 3 316.405 2.496 20 30 DEEDHN CCOC(=O)[C@H](C#N)Nc1ccc([C@@H]2CCCCN2CC)cn1 ZINC001159326817 798552472 /nfs/dbraw/zinc/55/24/72/798552472.db2.gz OZTJPRSFJXFMOS-GJZGRUSLSA-N 0 3 316.405 2.496 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](CC)CCCC)CCCO1 ZINC001199914306 798561331 /nfs/dbraw/zinc/56/13/31/798561331.db2.gz PVEJTXVMZPGHFS-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@@H](CNCc2cnccc2C)C1 ZINC001200074934 798580687 /nfs/dbraw/zinc/58/06/87/798580687.db2.gz SAJTVPLPTFDGOX-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2ccn(C(C)C)n2)CCC1 ZINC001159659855 798593269 /nfs/dbraw/zinc/59/32/69/798593269.db2.gz XUYYLLPCRYZUDF-UHFFFAOYSA-N 0 3 316.449 2.254 20 30 DEEDHN N#Cc1ccc(CCNC(=S)NCCN2CCCCC2)cc1 ZINC001200439088 798628640 /nfs/dbraw/zinc/62/86/40/798628640.db2.gz MLAICEMSHAMYNY-UHFFFAOYSA-N 0 3 316.474 2.051 20 30 DEEDHN Cc1ccnc(C#N)c1NC(=S)NCCN1CCCCC1 ZINC001200422349 798635076 /nfs/dbraw/zinc/63/50/76/798635076.db2.gz WWLJXXZYMHBEGD-UHFFFAOYSA-N 0 3 303.435 2.034 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@@H](CNCc2cccnc2)C1 ZINC001200627708 798657672 /nfs/dbraw/zinc/65/76/72/798657672.db2.gz NJYAHVKSHDAIAI-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001160324030 798674140 /nfs/dbraw/zinc/67/41/40/798674140.db2.gz FSZJRBRYXYVREC-QZTJIDSGSA-N 0 3 318.461 2.209 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cc(C)sc2C)CCCO1 ZINC001200903503 798696230 /nfs/dbraw/zinc/69/62/30/798696230.db2.gz ZNHWOTCOXXUFIX-HNNXBMFYSA-N 0 3 320.458 2.209 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CC2(C)CCCCC2)CCCO1 ZINC001200937945 798700020 /nfs/dbraw/zinc/70/00/20/798700020.db2.gz SVDVDLMWNGBWCL-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)CCCO1 ZINC001201253185 798726029 /nfs/dbraw/zinc/72/60/29/798726029.db2.gz VJFIQZFHBUPPTP-QGZVFWFLSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@@H](CNCc2cccnc2)C1 ZINC001201284373 798728102 /nfs/dbraw/zinc/72/81/02/798728102.db2.gz SUODCFDWZFUUKG-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1ncc(C)c(N2CCCC2)n1 ZINC001160951547 798769285 /nfs/dbraw/zinc/76/92/85/798769285.db2.gz GVCJARFOFROUTF-HNNXBMFYSA-N 0 3 301.438 2.448 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCc3cccnc32)CC1 ZINC001161028494 798782687 /nfs/dbraw/zinc/78/26/87/798782687.db2.gz FLODOSZDYSRFFE-KRWDZBQOSA-N 0 3 311.429 2.436 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001161056532 798788620 /nfs/dbraw/zinc/78/86/20/798788620.db2.gz JMQPROMWTDWOJT-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001161101502 798795074 /nfs/dbraw/zinc/79/50/74/798795074.db2.gz CJXNKFBICQDRKS-NVXWUHKLSA-N 0 3 304.434 2.106 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)CCCO1 ZINC001201872870 798807021 /nfs/dbraw/zinc/80/70/21/798807021.db2.gz SLWOVMDZRDRGSI-IBGZPJMESA-N 0 3 324.424 2.100 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)CCc2cncs2)CC1 ZINC001161225503 798812975 /nfs/dbraw/zinc/81/29/75/798812975.db2.gz BDUVZSWQEOVGAN-UHFFFAOYSA-N 0 3 305.447 2.400 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2sccc2C2CC2)CCCO1 ZINC001202006358 798816504 /nfs/dbraw/zinc/81/65/04/798816504.db2.gz PCUHXHMPWVFSMU-AWEZNQCLSA-N 0 3 318.442 2.079 20 30 DEEDHN CC#CCCCC(=O)N1CCC(NCc2cnc(C)o2)CC1 ZINC001202101123 798826621 /nfs/dbraw/zinc/82/66/21/798826621.db2.gz JBFGWSURDMIDHK-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001161363417 798836397 /nfs/dbraw/zinc/83/63/97/798836397.db2.gz YNGSOCNKKLHEQX-AGIUHOORSA-N 0 3 315.255 2.427 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)CCCO1 ZINC001202174661 798836489 /nfs/dbraw/zinc/83/64/89/798836489.db2.gz XQWHRIIUGAEXSO-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCCO1 ZINC001202251773 798846061 /nfs/dbraw/zinc/84/60/61/798846061.db2.gz VSGBCLQFXXRRDG-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cncnc2C2CC2)CC1 ZINC001161802070 798940220 /nfs/dbraw/zinc/94/02/20/798940220.db2.gz ZNQUAOMFPJFJEZ-UHFFFAOYSA-N 0 3 312.417 2.292 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(C)(C)CC)(COC)CC1 ZINC001162441863 799088464 /nfs/dbraw/zinc/08/84/64/799088464.db2.gz XKGRQABBUPRUHZ-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C(C)(F)F ZINC001162660468 799140646 /nfs/dbraw/zinc/14/06/46/799140646.db2.gz SKRQRNFWSJOWOK-UHFFFAOYSA-N 0 3 308.372 2.326 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1ccc(C)nc1 ZINC001162707193 799153408 /nfs/dbraw/zinc/15/34/08/799153408.db2.gz MGCPLXYRHUZCJC-UHFFFAOYSA-N 0 3 321.424 2.298 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@@H](C)SC ZINC001162710561 799154183 /nfs/dbraw/zinc/15/41/83/799154183.db2.gz YALXQTJQKGRAKP-MRXNPFEDSA-N 0 3 318.486 2.422 20 30 DEEDHN CCN(C(C)=O)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137122560 799197959 /nfs/dbraw/zinc/19/79/59/799197959.db2.gz HMVWAQLUTNOTIL-UHFFFAOYSA-N 0 3 315.417 2.422 20 30 DEEDHN Cc1cnc(C(=O)NCCCNCc2ccccc2C#N)c(C)c1 ZINC001162970269 799210724 /nfs/dbraw/zinc/21/07/24/799210724.db2.gz NZOGSKZKHOOHBO-UHFFFAOYSA-N 0 3 322.412 2.480 20 30 DEEDHN C=CCO[C@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001163007629 799221585 /nfs/dbraw/zinc/22/15/85/799221585.db2.gz WBLFLGXVXKKJCE-MRXNPFEDSA-N 0 3 322.424 2.208 20 30 DEEDHN CCC(=O)NCCC1(CNCc2cc(C#N)ccc2F)CC1 ZINC001163035548 799227718 /nfs/dbraw/zinc/22/77/18/799227718.db2.gz CTTSPQUYRNOZSQ-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccc(OC)cc2OC)CC1 ZINC001006343249 799261410 /nfs/dbraw/zinc/26/14/10/799261410.db2.gz MLMSHUZWCJAAGH-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN CC(C)[C@H](F)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001164193670 799535482 /nfs/dbraw/zinc/53/54/82/799535482.db2.gz ZBTHUTCQYZKOGA-HNNXBMFYSA-N 0 3 309.360 2.287 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCc1cc(OC)ccn1 ZINC001164221767 799543565 /nfs/dbraw/zinc/54/35/65/799543565.db2.gz FBJHEEZDIQQZSV-KGLIPLIRSA-N 0 3 305.422 2.144 20 30 DEEDHN CC#CCCCC(=O)NCCCN[C@H](C)c1cnc(C)cn1 ZINC001164244561 799551639 /nfs/dbraw/zinc/55/16/39/799551639.db2.gz HYXBMIVYIHQEBZ-OAHLLOKOSA-N 0 3 302.422 2.136 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](CCC)OCC ZINC001164300887 799564861 /nfs/dbraw/zinc/56/48/61/799564861.db2.gz KLCARDGZSMQIJQ-GFCCVEGCSA-N 0 3 321.259 2.196 20 30 DEEDHN N#Cc1ccccc1CNCC1(CCNC(=O)C#CC2CC2)CC1 ZINC001164478976 799605716 /nfs/dbraw/zinc/60/57/16/799605716.db2.gz BAIIWQXIXXSMFW-UHFFFAOYSA-N 0 3 321.424 2.348 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)[C@H]2CC[C@H](F)C2)c(F)c1 ZINC001164630325 799636273 /nfs/dbraw/zinc/63/62/73/799636273.db2.gz ASJBQGRHLRGWOU-ZFWWWQNUSA-N 0 3 321.371 2.431 20 30 DEEDHN C=CCC[NH2+]CC1(CCNC(=O)c2cccc3n[n-]nc32)CC1 ZINC001164647709 799638259 /nfs/dbraw/zinc/63/82/59/799638259.db2.gz FZOVAYORCAHKFS-UHFFFAOYSA-N 0 3 313.405 2.024 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)COC)CCC1 ZINC001110987596 799812763 /nfs/dbraw/zinc/81/27/63/799812763.db2.gz VZIADAXWUNCCMM-JJXSEGSLSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1C ZINC000932564730 799846228 /nfs/dbraw/zinc/84/62/28/799846228.db2.gz ABMCFBVMMBAXQQ-RYUDHWBXSA-N 0 3 307.369 2.185 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933073461 800006441 /nfs/dbraw/zinc/00/64/41/800006441.db2.gz QMNVWEBKRPRPGH-CVEARBPZSA-N 0 3 303.402 2.274 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CCOCC2)C1 ZINC000933082417 800009185 /nfs/dbraw/zinc/00/91/85/800009185.db2.gz VJLQXTBAGUPIIK-ZBFHGGJFSA-N 0 3 319.449 2.076 20 30 DEEDHN C[C@]12CN([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933704921 800167064 /nfs/dbraw/zinc/16/70/64/800167064.db2.gz UTXPYQBPFJCSSI-CNMWIUBYSA-N 0 3 307.397 2.229 20 30 DEEDHN C=CCCC(=O)N1CCC(CNCc2snnc2C)CC1 ZINC001204753713 800253895 /nfs/dbraw/zinc/25/38/95/800253895.db2.gz OWMQXBBSLCYGLF-UHFFFAOYSA-N 0 3 308.451 2.141 20 30 DEEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1cnn(CC)c1)CC2 ZINC001205513801 800366233 /nfs/dbraw/zinc/36/62/33/800366233.db2.gz RACIVMICFATNQD-UHFFFAOYSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cnn(CC)c1)CC2 ZINC001205533387 800371230 /nfs/dbraw/zinc/37/12/30/800371230.db2.gz PIOGEJIMQNBYBA-SFHVURJKSA-N 0 3 316.449 2.436 20 30 DEEDHN C#C[C@@H]1CCCCN1C[C@@H](O)COCc1ccc(OC)cc1 ZINC000934509185 800377387 /nfs/dbraw/zinc/37/73/87/800377387.db2.gz KJHARVIOIQEJAL-IAGOWNOFSA-N 0 3 303.402 2.060 20 30 DEEDHN C#C[C@@H]1CCCCN1C[C@H](O)COCc1ccc(OC)cc1 ZINC000934509187 800377577 /nfs/dbraw/zinc/37/75/77/800377577.db2.gz KJHARVIOIQEJAL-SJORKVTESA-N 0 3 303.402 2.060 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC001205961421 800451260 /nfs/dbraw/zinc/45/12/60/800451260.db2.gz UYUUORSJFPVHAQ-GJZGRUSLSA-N 0 3 318.465 2.207 20 30 DEEDHN CSCC(=O)N1CCC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001207151015 800696884 /nfs/dbraw/zinc/69/68/84/800696884.db2.gz KQXBOARNYLNIEY-MRXNPFEDSA-N 0 3 320.433 2.121 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccnc(C)n1)CC2 ZINC001207164459 800701962 /nfs/dbraw/zinc/70/19/62/800701962.db2.gz CPOYYAWQLBUPAM-SFHVURJKSA-N 0 3 314.433 2.318 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000935725119 800748015 /nfs/dbraw/zinc/74/80/15/800748015.db2.gz PPIUFXNONKZUTJ-MRXNPFEDSA-N 0 3 315.417 2.417 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NCCC(C)C)C1 ZINC001207627620 800793803 /nfs/dbraw/zinc/79/38/03/800793803.db2.gz BEYSPDRDQVURAX-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H](NCc2cncs2)C1 ZINC001207758536 800824574 /nfs/dbraw/zinc/82/45/74/800824574.db2.gz APANPZWZDQKBCD-AWEZNQCLSA-N 0 3 323.462 2.207 20 30 DEEDHN C=CCCCN1C[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC001207888221 800857720 /nfs/dbraw/zinc/85/77/20/800857720.db2.gz JYRGCFOKWVKOSW-DGCLKSJQSA-N 0 3 308.451 2.117 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CCC[C@@H](NCCF)C2)cc1 ZINC001208029238 800897405 /nfs/dbraw/zinc/89/74/05/800897405.db2.gz RHZQVQMBNCUXQK-MRXNPFEDSA-N 0 3 318.392 2.252 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCOC3)C2 ZINC001095744308 800900103 /nfs/dbraw/zinc/90/01/03/800900103.db2.gz URUYVXZPYNZWOK-QYZOEREBSA-N 0 3 324.424 2.118 20 30 DEEDHN C=C(C)[C@@H]1CC=C(CN2CCN(CC(N)=O)C(C)(C)C2)CC1 ZINC001208178822 800924286 /nfs/dbraw/zinc/92/42/86/800924286.db2.gz XKKVEXINYJNLBD-MRXNPFEDSA-N 0 3 305.466 2.171 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001208240742 800936303 /nfs/dbraw/zinc/93/63/03/800936303.db2.gz QACWYJGGDIOBRL-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001208241277 800936479 /nfs/dbraw/zinc/93/64/79/800936479.db2.gz VHELSLMXDCXBKB-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCC(=O)N[C@H](C)C(C)C)C1 ZINC001208255568 800941773 /nfs/dbraw/zinc/94/17/73/800941773.db2.gz LVHLIFZDVIDYJZ-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001208261751 800943537 /nfs/dbraw/zinc/94/35/37/800943537.db2.gz RLJHKPRWYBHPKI-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCCCCC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001209003781 801110721 /nfs/dbraw/zinc/11/07/21/801110721.db2.gz KFDCKVCIUWYFHR-KRWDZBQOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001209346689 801173325 /nfs/dbraw/zinc/17/33/25/801173325.db2.gz WDSMAPDSVFAWHI-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCC(=O)N[C@H](C)C(C)C)C1 ZINC001209367070 801176644 /nfs/dbraw/zinc/17/66/44/801176644.db2.gz YDNCFRZTROHQMO-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(N4CCCC4)nc3)CCC2S1 ZINC001209626178 801238631 /nfs/dbraw/zinc/23/86/31/801238631.db2.gz QSIHTXITNCWNOF-HNNXBMFYSA-N 0 3 315.442 2.456 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001209768639 801278444 /nfs/dbraw/zinc/27/84/44/801278444.db2.gz BEWAMFDIYUXTAI-OIISXLGYSA-N 0 3 301.434 2.444 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001229826119 801325506 /nfs/dbraw/zinc/32/55/06/801325506.db2.gz YDCHSIBWSCEOJY-AEFFLSMTSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(C)nc2C)CC1 ZINC001230332228 801388351 /nfs/dbraw/zinc/38/83/51/801388351.db2.gz ZGHVMULDWVZTHY-UHFFFAOYSA-N 0 3 317.433 2.095 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)cn1 ZINC001210728438 801453790 /nfs/dbraw/zinc/45/37/90/801453790.db2.gz NWKUSGAWLNGTEG-ZBFHGGJFSA-N 0 3 303.381 2.005 20 30 DEEDHN C=C(C)CN(CCCNC(=O)CSC)Cc1cccnc1 ZINC001230662462 801454791 /nfs/dbraw/zinc/45/47/91/801454791.db2.gz NDFDVVULIPYTIK-UHFFFAOYSA-N 0 3 307.463 2.329 20 30 DEEDHN C#CCCN(CCCNC(=O)CCSC)Cc1cccnc1 ZINC001230662906 801455453 /nfs/dbraw/zinc/45/54/53/801455453.db2.gz VFEMDGWCVUUGQT-UHFFFAOYSA-N 0 3 319.474 2.166 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCN(CC[C@H](C)F)Cc1cccnc1 ZINC001230713919 801472116 /nfs/dbraw/zinc/47/21/16/801472116.db2.gz PIDKPDJIQZWYRZ-CABCVRRESA-N 0 3 320.412 2.298 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC001210925620 801487424 /nfs/dbraw/zinc/48/74/24/801487424.db2.gz NKSDNZLGQHLWNV-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001211046226 801505215 /nfs/dbraw/zinc/50/52/15/801505215.db2.gz KHBCFKMPFBBSEA-KBRIMQKVSA-N 0 3 318.465 2.464 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001211175702 801523764 /nfs/dbraw/zinc/52/37/64/801523764.db2.gz AYTMTBMMNUGBLC-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001211301445 801544502 /nfs/dbraw/zinc/54/45/02/801544502.db2.gz XCFVIZNZSIXTFG-CZUORRHYSA-N 0 3 322.474 2.238 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H](NCc2cncc(C)c2)C1 ZINC001211354506 801552000 /nfs/dbraw/zinc/55/20/00/801552000.db2.gz AQFXKMRIYFDXQZ-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001211424725 801564221 /nfs/dbraw/zinc/56/42/21/801564221.db2.gz COQDHGHKFKATMA-HLLBOEOZSA-N 0 3 302.418 2.214 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)CC(F)F)[C@H](OC)C1 ZINC001213189906 801581120 /nfs/dbraw/zinc/58/11/20/801581120.db2.gz IDHFNUDVIHSOLY-YNEHKIRRSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2ccco2)[C@H](OC)C1 ZINC001213432354 801607899 /nfs/dbraw/zinc/60/78/99/801607899.db2.gz MWIACRPFOZCYFE-IIAWOOMASA-N 0 3 306.406 2.165 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@H](OC)C1 ZINC001213487963 801614732 /nfs/dbraw/zinc/61/47/32/801614732.db2.gz OXJWCKLYRVVXHG-BZUAXINKSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@H](OC)C1 ZINC001213708667 801635251 /nfs/dbraw/zinc/63/52/51/801635251.db2.gz ROHPSFMESVSAAJ-CHWSQXEVSA-N 0 3 316.392 2.203 20 30 DEEDHN OC[C@H]1CN(Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1O ZINC001231576487 801689895 /nfs/dbraw/zinc/68/98/95/801689895.db2.gz AEXAIFBCQKZOPF-RTWAWAEBSA-N 0 3 321.420 2.262 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001214305482 801701257 /nfs/dbraw/zinc/70/12/57/801701257.db2.gz DZJVCVLNPNMDFR-QLFBSQMISA-N 0 3 323.481 2.082 20 30 DEEDHN CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215323083 801834533 /nfs/dbraw/zinc/83/45/33/801834533.db2.gz UKCHDQKILFBHFF-DJIMGWMZSA-N 0 3 302.393 2.223 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cncc(F)c2)C1 ZINC001215363287 801847121 /nfs/dbraw/zinc/84/71/21/801847121.db2.gz HNLFJBGCSXXUCA-RHSMWYFYSA-N 0 3 317.408 2.351 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001215362037 801847482 /nfs/dbraw/zinc/84/74/82/801847482.db2.gz ROZYEWPQFFHOFC-UKRRQHHQSA-N 0 3 305.447 2.273 20 30 DEEDHN C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3cnc(C)[nH]3)C2)C1 ZINC001232458573 801885768 /nfs/dbraw/zinc/88/57/68/801885768.db2.gz LNYSRIONGLZNLL-KRWDZBQOSA-N 0 3 318.421 2.329 20 30 DEEDHN CN1c2ccccc2[C@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001232479611 801896755 /nfs/dbraw/zinc/89/67/55/801896755.db2.gz YAQQSXGYCURNMP-LJQANCHMSA-N 0 3 318.380 2.073 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC001232924320 801985214 /nfs/dbraw/zinc/98/52/14/801985214.db2.gz YOEUCCUGXCPENE-LJQANCHMSA-N 0 3 324.428 2.178 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)SC)[C@H]2C1 ZINC001217665105 802095931 /nfs/dbraw/zinc/09/59/31/802095931.db2.gz HKALHFHUUMYOPK-QLFBSQMISA-N 0 3 312.479 2.006 20 30 DEEDHN CCCCCN1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217852661 802115878 /nfs/dbraw/zinc/11/58/78/802115878.db2.gz QNICSCCIQICZOB-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN CC(C)C#CC(=O)N1CCO[C@@H]2CN(CCCC(C)(C)C)C[C@@H]21 ZINC001217852901 802116080 /nfs/dbraw/zinc/11/60/80/802116080.db2.gz XJMPSGIINNKTPS-DLBZAZTESA-N 0 3 320.477 2.384 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCO[C@@H]2CN(CCC(C)(C)C)C[C@@H]21 ZINC001217844375 802116617 /nfs/dbraw/zinc/11/66/17/802116617.db2.gz UVXIHJFLIQURGM-JKSUJKDBSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C1CC[NH2+]C[C@@H]1Oc1nc2cc(C(=O)OCC)ccc2[n-]1 ZINC001218208146 802153621 /nfs/dbraw/zinc/15/36/21/802153621.db2.gz XGIQKNGBAJYJEH-AWEZNQCLSA-N 0 3 301.346 2.037 20 30 DEEDHN COC(=O)c1scc(C#N)c1NC(=O)[C@@H](N)C1CCCCC1 ZINC001218604907 802214046 /nfs/dbraw/zinc/21/40/46/802214046.db2.gz JHPLNBIYOKJTAF-NSHDSACASA-N 0 3 321.402 2.252 20 30 DEEDHN C[C@H]1CCN[C@H](C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)C1 ZINC001218659975 802224187 /nfs/dbraw/zinc/22/41/87/802224187.db2.gz YWQBLCSZYBCELD-KWQFWETISA-N 0 3 312.295 2.299 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2ccsc2)[C@@H](O)C1 ZINC001219123000 802286608 /nfs/dbraw/zinc/28/66/08/802286608.db2.gz MNNLYPSLSXXAEB-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1nnc(C)o1 ZINC001234068462 802286949 /nfs/dbraw/zinc/28/69/49/802286949.db2.gz LQHBUTPEQOYDHJ-OAHLLOKOSA-N 0 3 322.453 2.424 20 30 DEEDHN CN(C[C@H]1CCN1CC[C@H]1CCCO1)C(=O)C#CC(C)(C)C ZINC001234205222 802325569 /nfs/dbraw/zinc/32/55/69/802325569.db2.gz HRCLOWKCKFFTSO-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN CN(C[C@@H]1CCN1CCC1CCOCC1)C(=O)C#CC(C)(C)C ZINC001234215169 802328467 /nfs/dbraw/zinc/32/84/67/802328467.db2.gz JMXKIKSIAMMZJU-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1ccn(C)n1 ZINC001234223795 802328936 /nfs/dbraw/zinc/32/89/36/802328936.db2.gz CLKNRHDDTGDDBY-KRWDZBQOSA-N 0 3 320.481 2.466 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001234247155 802334031 /nfs/dbraw/zinc/33/40/31/802334031.db2.gz XYQYDNJGEXRKIT-GOSISDBHSA-N 0 3 314.429 2.068 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CCC ZINC001234246461 802334060 /nfs/dbraw/zinc/33/40/60/802334060.db2.gz OLQHPZGLIBUSEB-IWAYRVGRSA-N 0 3 306.450 2.305 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001234247157 802334620 /nfs/dbraw/zinc/33/46/20/802334620.db2.gz XYQYDNJGEXRKIT-SFHVURJKSA-N 0 3 314.429 2.068 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCCCC=C ZINC001234267019 802339974 /nfs/dbraw/zinc/33/99/74/802339974.db2.gz UWNZRIVIXQNPFO-DLBZAZTESA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](O)C1 ZINC001219574796 802349976 /nfs/dbraw/zinc/34/99/76/802349976.db2.gz KPIGLQYOQITUFU-SJORKVTESA-N 0 3 306.450 2.395 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001219704796 802369054 /nfs/dbraw/zinc/36/90/54/802369054.db2.gz KKEBFONFQWHCOP-CFVMTHIKSA-N 0 3 322.474 2.495 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](O)C1 ZINC001220044702 802405410 /nfs/dbraw/zinc/40/54/10/802405410.db2.gz VXMZSBVVESYXPM-OLZOCXBDSA-N 0 3 318.408 2.185 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220147043 802414957 /nfs/dbraw/zinc/41/49/57/802414957.db2.gz YMHIXBDHQYOKSM-NTJYLGOCSA-N 0 3 320.477 2.478 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC/C=C\c2ccccc2)[C@@H](O)C1 ZINC001220346942 802446921 /nfs/dbraw/zinc/44/69/21/802446921.db2.gz CBMPBOLGMMJMNM-GCNOGIOXSA-N 0 3 314.429 2.217 20 30 DEEDHN C=CCCCNC(=O)[C@@H](N)CSCc1ccc(OC)cc1 ZINC001220484915 802466937 /nfs/dbraw/zinc/46/69/37/802466937.db2.gz ZXCITYXZGARPFL-HNNXBMFYSA-N 0 3 308.447 2.338 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C(F)F)cc2)[C@@H](O)C1 ZINC001220555898 802473849 /nfs/dbraw/zinc/47/38/49/802473849.db2.gz FWBNDFQHQMWSRL-CABCVRRESA-N 0 3 324.371 2.365 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCc2sccc2C)[C@@H](O)C1 ZINC001220860491 802505372 /nfs/dbraw/zinc/50/53/72/802505372.db2.gz SCSAWORKKBARJZ-CABCVRRESA-N 0 3 322.474 2.117 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2)[C@@H](O)C1 ZINC001220910818 802510659 /nfs/dbraw/zinc/51/06/59/802510659.db2.gz VQRMOQVKKRQRCY-NXHRZFHOSA-N 0 3 316.445 2.308 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2)[C@@H](O)C1 ZINC001220910870 802511855 /nfs/dbraw/zinc/51/18/55/802511855.db2.gz XNIINFVQWGJWBE-NXHRZFHOSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001220929065 802513207 /nfs/dbraw/zinc/51/32/07/802513207.db2.gz VBFVEWWIAMUOOM-CFVMTHIKSA-N 0 3 322.474 2.495 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CCN(C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221429164 802571328 /nfs/dbraw/zinc/57/13/28/802571328.db2.gz KSWNFWGDTNWVHU-BZUAXINKSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C/C=C(/C)C=C)[C@@H]2C1 ZINC001221748173 802609824 /nfs/dbraw/zinc/60/98/24/802609824.db2.gz PKQVJAZENINIFO-FHASGNSBSA-N 0 3 304.434 2.244 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(C[C@@H](C)OC)C[C@H]32)CCC1 ZINC001221798003 802616728 /nfs/dbraw/zinc/61/67/28/802616728.db2.gz RJNCJJQJRJGTJN-BZUAXINKSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 ZINC001222214827 802656182 /nfs/dbraw/zinc/65/61/82/802656182.db2.gz PVERYJYJOHJXDI-CVEARBPZSA-N 0 3 318.417 2.327 20 30 DEEDHN CSCC(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001222325041 802670120 /nfs/dbraw/zinc/67/01/20/802670120.db2.gz AGEGIEFJGDRUGD-UHFFFAOYSA-N 0 3 317.458 2.249 20 30 DEEDHN Cc1nc(C)c(CN2CCC(CNC(=O)[C@H](C)C#N)CC2)s1 ZINC001222637049 802719429 /nfs/dbraw/zinc/71/94/29/802719429.db2.gz XMAQMNCKJJBVRW-LLVKDONJSA-N 0 3 320.462 2.248 20 30 DEEDHN CCc1noc(C)c1CN1CCC(CNC(=O)[C@@H](C)C#N)CC1 ZINC001222636835 802719998 /nfs/dbraw/zinc/71/99/98/802719998.db2.gz RGNAOCMOBPTDDD-LBPRGKRZSA-N 0 3 318.421 2.033 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Oc2ccccc2F)CC1 ZINC001223284858 802778370 /nfs/dbraw/zinc/77/83/70/802778370.db2.gz FLIMSRZOLMHTLF-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)C(F)(F)F)C[C@@H]21 ZINC001223416562 802788516 /nfs/dbraw/zinc/78/85/16/802788516.db2.gz YGWWVGZCTYURKL-UPJWGTAASA-N 0 3 302.340 2.131 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCCCOCC)C[C@@H]21 ZINC001224263852 802853135 /nfs/dbraw/zinc/85/31/35/802853135.db2.gz QSLFDCBQOZUGAZ-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC001224712709 802897010 /nfs/dbraw/zinc/89/70/10/802897010.db2.gz KQWALIUITGUFOS-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COc2ccccc2F)CC1 ZINC001225417938 802963026 /nfs/dbraw/zinc/96/30/26/802963026.db2.gz REUOXNVFEHZZNR-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001225428050 802965159 /nfs/dbraw/zinc/96/51/59/802965159.db2.gz YTXUKELMCOSQGV-GMTAPVOTSA-N 0 3 304.221 2.482 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCOCc2ccccc2)CC1 ZINC001225478551 802972040 /nfs/dbraw/zinc/97/20/40/802972040.db2.gz DWSQADXNAQISKK-UHFFFAOYSA-N 0 3 314.429 2.055 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2csc(CC)n2)CC1 ZINC001225563319 802982000 /nfs/dbraw/zinc/98/20/00/802982000.db2.gz BBSUGWFJWOJGRS-UHFFFAOYSA-N 0 3 319.474 2.100 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2c(C)noc2Cl)CC1 ZINC001225639547 802994916 /nfs/dbraw/zinc/99/49/16/802994916.db2.gz SMMFFRRXMUJRFB-UHFFFAOYSA-N 0 3 323.824 2.030 20 30 DEEDHN C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001226394369 803102106 /nfs/dbraw/zinc/10/21/06/803102106.db2.gz RRPAUCYDBBNVIU-ZIAGYGMSSA-N 0 3 313.405 2.165 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC1CCN(CCOC2CCC2)CC1 ZINC001226446323 803109002 /nfs/dbraw/zinc/10/90/02/803109002.db2.gz AEHXUNFHZGKSFS-OAHLLOKOSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCCC(=O)NC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001226527573 803120446 /nfs/dbraw/zinc/12/04/46/803120446.db2.gz LBCHYWOHMWKQJR-QGZVFWFLSA-N 0 3 302.418 2.267 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC001226617317 803132263 /nfs/dbraw/zinc/13/22/63/803132263.db2.gz FIEOHYVVZLVHSM-AWEZNQCLSA-N 0 3 322.412 2.475 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001226640219 803135141 /nfs/dbraw/zinc/13/51/41/803135141.db2.gz KYQXMXWLRRHYOY-WDEREUQCSA-N 0 3 318.248 2.311 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001227258331 803223236 /nfs/dbraw/zinc/22/32/36/803223236.db2.gz OFVONSSLDOGIFL-LSDHHAIUSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001228113869 803321242 /nfs/dbraw/zinc/32/12/42/803321242.db2.gz YXGIPGNBNMNUFX-BZUAXINKSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2ccc(C)cc2)CC1 ZINC001228180777 803328833 /nfs/dbraw/zinc/32/88/33/803328833.db2.gz FDIPOFCZHRMVEM-UHFFFAOYSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCCC(=O)NC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC001228912984 803430338 /nfs/dbraw/zinc/43/03/38/803430338.db2.gz WQCZUMQZTMYZML-QGZVFWFLSA-N 0 3 324.465 2.119 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)c2ccc[nH]2)C2CC2)s1 ZINC001370128268 1149397539 /nfs/dbraw/zinc/39/75/39/1149397539.db2.gz SIXORZFYTDUFRO-HNNXBMFYSA-N 0 3 314.414 2.246 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001331427884 1149441915 /nfs/dbraw/zinc/44/19/15/1149441915.db2.gz WYEJHUCGYYAORO-HZPDHXFCSA-N 0 3 312.417 2.019 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC1(C)C ZINC001335221559 1150385994 /nfs/dbraw/zinc/38/59/94/1150385994.db2.gz NQNLJZDBFNXNJD-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001419343504 1168412742 /nfs/dbraw/zinc/41/27/42/1168412742.db2.gz QMTPHNHPZJKRFF-OAHLLOKOSA-N 0 3 309.797 2.028 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC001328099761 1148720933 /nfs/dbraw/zinc/72/09/33/1148720933.db2.gz 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1150971273 /nfs/dbraw/zinc/97/12/73/1150971273.db2.gz PQHOTWHVLGYUFR-IAGOWNOFSA-N 0 3 321.465 2.380 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCCCc2c[nH]nn2)C1 ZINC001575049237 1069347795 /nfs/dbraw/zinc/34/77/95/1069347795.db2.gz ZJMPSMJDXLGTPX-INIZCTEOSA-N 0 3 319.453 2.064 20 30 DEEDHN CC(C)(C(=O)Nc1ncccc1CN)c1cc(F)cc(C#N)c1 ZINC001575097364 1069366651 /nfs/dbraw/zinc/36/66/51/1069366651.db2.gz WHMIKNQTCSZCJC-UHFFFAOYSA-N 0 3 312.348 2.467 20 30 DEEDHN C=CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001328468594 1148800515 /nfs/dbraw/zinc/80/05/15/1148800515.db2.gz NLTWTRYQROIQEZ-ROUUACIJSA-N 0 3 315.461 2.228 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)/C(C)=C/C)CC1 ZINC001328499516 1148802841 /nfs/dbraw/zinc/80/28/41/1148802841.db2.gz FRNUKWJQHMSSMW-YAXRCOADSA-N 0 3 307.482 2.433 20 30 DEEDHN C=CCC1([NH2+]C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602818082 1069765508 /nfs/dbraw/zinc/76/55/08/1069765508.db2.gz ATGMKUBVTWGGEU-HNNXBMFYSA-N 0 3 313.405 2.379 20 30 DEEDHN C=CCC1([NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818082 1069765513 /nfs/dbraw/zinc/76/55/13/1069765513.db2.gz ATGMKUBVTWGGEU-HNNXBMFYSA-N 0 3 313.405 2.379 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001328603913 1148815929 /nfs/dbraw/zinc/81/59/29/1148815929.db2.gz FBXPQWMHXQOEMT-OCCSQVGLSA-N 0 3 305.426 2.111 20 30 DEEDHN Cc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1C#N ZINC001605855616 1070948337 /nfs/dbraw/zinc/94/83/37/1070948337.db2.gz DJSPMDZTWXVHLL-UHFFFAOYSA-N 0 3 310.386 2.398 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CC2(O)CCC2)CCCCC1 ZINC001369049916 1148834714 /nfs/dbraw/zinc/83/47/14/1148834714.db2.gz YNKRWLJBAUVVKF-UHFFFAOYSA-N 0 3 314.857 2.453 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001529544351 1070982760 /nfs/dbraw/zinc/98/27/60/1070982760.db2.gz RWZVOBXHIPSBFT-MSOLQXFVSA-N 0 3 314.429 2.312 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccns1 ZINC001548444312 1057855314 /nfs/dbraw/zinc/85/53/14/1057855314.db2.gz BLKZFOWBLJTTGL-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)OCCC=C)C1CCN(CC=C)CC1 ZINC001500028965 1058440383 /nfs/dbraw/zinc/44/03/83/1058440383.db2.gz FRBFKYFVXOUKIN-MRXNPFEDSA-N 0 3 304.434 2.080 20 30 DEEDHN C#CCNC[C@H](NC(=O)[C@H](C)C#N)c1ccc2ccccc2c1 ZINC001500060249 1058460917 /nfs/dbraw/zinc/46/09/17/1058460917.db2.gz NXWZLLWINRSWCV-KDOFPFPSSA-N 0 3 305.381 2.380 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccccn1 ZINC001501192254 1059362058 /nfs/dbraw/zinc/36/20/58/1059362058.db2.gz RICRQHJNWMITFM-UHFFFAOYSA-N 0 3 307.397 2.337 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccnn1CCC ZINC001501196240 1059367084 /nfs/dbraw/zinc/36/70/84/1059367084.db2.gz WKFQJZCQTRQICB-UHFFFAOYSA-N 0 3 324.428 2.158 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)c1ccc(C(C)(C)C)s1 ZINC001501514223 1059521637 /nfs/dbraw/zinc/52/16/37/1059521637.db2.gz DPHFWXQVHLILOO-UHFFFAOYSA-N 0 3 322.474 2.093 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)c1ccccc1C1CCC1 ZINC001501509109 1059522627 /nfs/dbraw/zinc/52/26/27/1059522627.db2.gz ZNMQCYIGDFHJLE-UHFFFAOYSA-N 0 3 314.429 2.002 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001369167402 1148859485 /nfs/dbraw/zinc/85/94/85/1148859485.db2.gz CSNKRUZSZGJWCD-HDJSIYSDSA-N 0 3 319.836 2.350 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)CC1 ZINC001502143981 1059991786 /nfs/dbraw/zinc/99/17/86/1059991786.db2.gz ZKPGOMGWKIHOGP-MRXNPFEDSA-N 0 3 324.440 2.279 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CC#Cc2ccccc2)CC1 ZINC001502147953 1059999967 /nfs/dbraw/zinc/99/99/67/1059999967.db2.gz TXVAMMCRSXPZMX-IBGZPJMESA-N 0 3 308.425 2.422 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001502354041 1060064739 /nfs/dbraw/zinc/06/47/39/1060064739.db2.gz SICOABXEAHGHSG-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001470357513 1060087854 /nfs/dbraw/zinc/08/78/54/1060087854.db2.gz WPUCZDVDXHIQRY-IRXDYDNUSA-N 0 3 303.450 2.162 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C)COC ZINC001502521537 1060165234 /nfs/dbraw/zinc/16/52/34/1060165234.db2.gz CVFBPEOGGKMOCN-YJBOKZPZSA-N 0 3 316.445 2.388 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@H]2C=CCC2)CCOCC1 ZINC001502612593 1060197510 /nfs/dbraw/zinc/19/75/10/1060197510.db2.gz YLKRRFUUANXYJY-AWEZNQCLSA-N 0 3 312.841 2.350 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC001502817699 1060317809 /nfs/dbraw/zinc/31/78/09/1060317809.db2.gz INMPXBUCBGAHKG-AWEZNQCLSA-N 0 3 323.462 2.176 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H](CCC)OCC)C(C)(C)C1 ZINC001502831497 1060340745 /nfs/dbraw/zinc/34/07/45/1060340745.db2.gz AYKLYOJNUVICGV-JKSUJKDBSA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCCOC(C)C)C(C)(C)C1 ZINC001502839255 1060351944 /nfs/dbraw/zinc/35/19/44/1060351944.db2.gz UZIGNBQVKRKWSE-MRXNPFEDSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1cc(C)ncn1 ZINC001503463301 1060446380 /nfs/dbraw/zinc/44/63/80/1060446380.db2.gz ARYHZEGBCYIFNQ-GUYCJALGSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2nccn2C)CCC1 ZINC001503463415 1060446723 /nfs/dbraw/zinc/44/67/23/1060446723.db2.gz LWSUPGHLBHZHRZ-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN COCC#CCN1CCC2(CC1)CCN(C(=O)CC1CC1)CC2 ZINC001503756035 1060465847 /nfs/dbraw/zinc/46/58/47/1060465847.db2.gz AHWVDGKKFBMHHG-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)OC ZINC001505413698 1060551798 /nfs/dbraw/zinc/55/17/98/1060551798.db2.gz NDSDVUGFIWACJK-FDQGKXFDSA-N 0 3 302.418 2.359 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nn(C)c2ccccc12 ZINC001505455743 1060625663 /nfs/dbraw/zinc/62/56/63/1060625663.db2.gz HEDFHKIAZHMLSM-CQSZACIVSA-N 0 3 312.417 2.296 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)c2cc[nH]c2)C1 ZINC001505498299 1060659924 /nfs/dbraw/zinc/65/99/24/1060659924.db2.gz JCVOHSCWIMNOOJ-UHFFFAOYSA-N 0 3 312.211 2.021 20 30 DEEDHN COCCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001505573561 1060728320 /nfs/dbraw/zinc/72/83/20/1060728320.db2.gz CGVJNFVYRJGHRA-IAGOWNOFSA-N 0 3 316.445 2.338 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001369177397 1148862177 /nfs/dbraw/zinc/86/21/77/1148862177.db2.gz PDTMZEBHSMUGOU-UMSPYCQHSA-N 0 3 308.813 2.138 20 30 DEEDHN COc1ccc(F)cc1CN[C@H](C)[C@H](C)NC(=O)C#CC(C)C ZINC001505602355 1060765516 /nfs/dbraw/zinc/76/55/16/1060765516.db2.gz IAOZXOOLLHHQJV-KGLIPLIRSA-N 0 3 320.408 2.477 20 30 DEEDHN COc1ccc(CN[C@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001505601907 1060765549 /nfs/dbraw/zinc/76/55/49/1060765549.db2.gz BRMFPPKEAZTANO-KGLIPLIRSA-N 0 3 317.433 2.123 20 30 DEEDHN CN(C)[C@@H](CNC(=O)Nc1ccnc(C#N)c1)c1ccccc1 ZINC001476945195 1061126555 /nfs/dbraw/zinc/12/65/55/1061126555.db2.gz FOLQPUWDONKCAS-INIZCTEOSA-N 0 3 309.373 2.378 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(F)cc1NC(C)=O ZINC001505930289 1061147103 /nfs/dbraw/zinc/14/71/03/1061147103.db2.gz FKTNATHFFSCGEL-NSHDSACASA-N 0 3 307.369 2.020 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@H]1CCCCC1(F)F ZINC001505968948 1061188222 /nfs/dbraw/zinc/18/82/22/1061188222.db2.gz GNUDJZHJSPIKMU-UONOGXRCSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC(C)(C)COC)C1 ZINC001479310665 1061382973 /nfs/dbraw/zinc/38/29/73/1061382973.db2.gz CKPZAFPZIXXFRP-BETUJISGSA-N 0 3 302.846 2.286 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001479353872 1061410381 /nfs/dbraw/zinc/41/03/81/1061410381.db2.gz UPTBXCFMZCQXFS-MGCOHNPYSA-N 0 3 322.261 2.047 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnn1 ZINC001479526678 1061494248 /nfs/dbraw/zinc/49/42/48/1061494248.db2.gz GMUSLTMGJIADAY-SWLSCSKDSA-N 0 3 322.840 2.450 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccc(F)cn2)[C@H]1CC ZINC001479632247 1061541280 /nfs/dbraw/zinc/54/12/80/1061541280.db2.gz RPTARXDNOCRRKS-GOEBONIOSA-N 0 3 321.396 2.006 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)[C@H]1C ZINC001479727487 1061648226 /nfs/dbraw/zinc/64/82/26/1061648226.db2.gz HYISJLNPRJSUHT-CPUCHLNUSA-N 0 3 318.392 2.195 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(OCC)no1 ZINC001479736886 1061662289 /nfs/dbraw/zinc/66/22/89/1061662289.db2.gz YLEVXMWZFIBSFR-ZDUSSCGKSA-N 0 3 307.394 2.186 20 30 DEEDHN C/C=C(/C)C(=O)N[C@@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001479746753 1061674284 /nfs/dbraw/zinc/67/42/84/1061674284.db2.gz UDDYBVHVPRTLOA-OBHDYHNASA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001479784377 1061757628 /nfs/dbraw/zinc/75/76/28/1061757628.db2.gz GSECISZEVFWWIC-AWEZNQCLSA-N 0 3 300.402 2.085 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)CC(C)(C)C(F)(F)F ZINC001479809921 1061817508 /nfs/dbraw/zinc/81/75/08/1061817508.db2.gz GNRDAKZZWMEAIC-UHFFFAOYSA-N 0 3 322.371 2.053 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=O)N(C)C(C)C ZINC001479820502 1061838484 /nfs/dbraw/zinc/83/84/84/1061838484.db2.gz LEHATFIPKRGEPW-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN(CCCNC(=O)Cc1n[nH]c2ccccc21)C1CC1 ZINC001479881329 1061985418 /nfs/dbraw/zinc/98/54/18/1061985418.db2.gz ZYWIEZQASLHTGQ-UHFFFAOYSA-N 0 3 324.428 2.099 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001479902230 1062015952 /nfs/dbraw/zinc/01/59/52/1062015952.db2.gz CKZMGGSSGLHDMJ-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CCN(CCCNC(=O)C2=CCCCCC2)CC1 ZINC001479918664 1062051851 /nfs/dbraw/zinc/05/18/51/1062051851.db2.gz OOLIXUAUHMYPFO-UHFFFAOYSA-N 0 3 317.477 2.024 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCCCCN1C[C@H](F)CC ZINC001506559897 1062129140 /nfs/dbraw/zinc/12/91/40/1062129140.db2.gz CEBLDXFXCFKVSJ-HZPDHXFCSA-N 0 3 312.429 2.135 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1CCc2ccccc2O1 ZINC001327270317 1148507466 /nfs/dbraw/zinc/50/74/66/1148507466.db2.gz GMKYKDWQPCQETC-GOSISDBHSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001479973432 1062133891 /nfs/dbraw/zinc/13/38/91/1062133891.db2.gz DCKNJILRWDZMCB-GFCCVEGCSA-N 0 3 309.435 2.060 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2noc3ccccc32)C1 ZINC001506640312 1062222987 /nfs/dbraw/zinc/22/29/87/1062222987.db2.gz JCTULEBTARCXKJ-ZDUSSCGKSA-N 0 3 313.401 2.383 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)COc2ccc(F)c(F)c2)C1 ZINC001506684276 1062278320 /nfs/dbraw/zinc/27/83/20/1062278320.db2.gz YRECEADIQGCVMA-GFCCVEGCSA-N 0 3 324.371 2.356 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001480116927 1062343791 /nfs/dbraw/zinc/34/37/91/1062343791.db2.gz GTKKKQLDQFCDOG-GVDBMIGSSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CN(CCOC)CC2(C)C)CCCCC1 ZINC001506752084 1062368688 /nfs/dbraw/zinc/36/86/88/1062368688.db2.gz GEARIOQXFISJDL-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2c(C)onc2CC)C1 ZINC001480152166 1062395893 /nfs/dbraw/zinc/39/58/93/1062395893.db2.gz AEGSUNAZXQGGSV-SHTZXODSSA-N 0 3 317.433 2.476 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cncc2[nH]cnc21 ZINC001506920706 1062528074 /nfs/dbraw/zinc/52/80/74/1062528074.db2.gz LJMQJTWCMFSJIK-NSHDSACASA-N 0 3 321.812 2.199 20 30 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/nfs/dbraw/zinc/26/88/38/1075268838.db2.gz CWMPFVJIYFPCMC-BNSCMJDNSA-N 0 3 321.465 2.004 20 30 DEEDHN CCN(CC#Cc1ccc(Cl)cc1)CCCNC(=O)COC ZINC001566537826 1075273325 /nfs/dbraw/zinc/27/33/25/1075273325.db2.gz ZQGGWVOYROXQBC-UHFFFAOYSA-N 0 3 322.836 2.166 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ncc(C)cc1OC)C1CC1 ZINC001566590012 1075291382 /nfs/dbraw/zinc/29/13/82/1075291382.db2.gz QLFVSSKCEVARJE-UHFFFAOYSA-N 0 3 315.417 2.006 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2ccoc2CC)CC1 ZINC001566638458 1075302823 /nfs/dbraw/zinc/30/28/23/1075302823.db2.gz CTKMWYUINWWARR-UHFFFAOYSA-N 0 3 319.449 2.156 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)Cc2cnn(C)c2C)CC1 ZINC001566697804 1075320466 /nfs/dbraw/zinc/32/04/66/1075320466.db2.gz NUUDJLCUAQOIIH-UHFFFAOYSA-N 0 3 318.465 2.160 20 30 DEEDHN Cc1cc(CN[C@H](CNC(=O)C#CC(C)(C)C)C2CC2)sn1 ZINC001566708135 1075323117 /nfs/dbraw/zinc/32/31/17/1075323117.db2.gz FAIKAYVSBZYTRG-OAHLLOKOSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](N[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001566712107 1075324010 /nfs/dbraw/zinc/32/40/10/1075324010.db2.gz BPJGVCSXWCZBOV-FZMZJTMJSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](NCc2cncn2C)C2CC2)CCC1 ZINC001566720320 1075326043 /nfs/dbraw/zinc/32/60/43/1075326043.db2.gz NXLOZQARIMZZJZ-INIZCTEOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CCCCCC ZINC001566756974 1075337446 /nfs/dbraw/zinc/33/74/46/1075337446.db2.gz ALUOUGSPPILWQH-CALCHBBNSA-N 0 3 307.482 2.360 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H](NCc3ccnn3C)C2)CCCC1 ZINC001566815300 1075351835 /nfs/dbraw/zinc/35/18/35/1075351835.db2.gz QNFONJOLEIGMEC-SHTZXODSSA-N 0 3 316.449 2.293 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCOC(C)C)C1 ZINC001566825618 1075354378 /nfs/dbraw/zinc/35/43/78/1075354378.db2.gz XXCVRYSLGJNIBC-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001566852025 1075361798 /nfs/dbraw/zinc/36/17/98/1075361798.db2.gz IQKUJSAWYBRQFC-KBNOKHGBSA-N 0 3 305.426 2.013 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CNCc2cc(C)no2)C1 ZINC001566891993 1075375562 /nfs/dbraw/zinc/37/55/62/1075375562.db2.gz DQTXQZRSIDPTAJ-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001267710281 1079397311 /nfs/dbraw/zinc/39/73/11/1079397311.db2.gz NQUDYIJSAUQWHC-HRCADAONSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1c(C)nnn1CC ZINC001566934044 1075392209 /nfs/dbraw/zinc/39/22/09/1075392209.db2.gz HKAHUWFJTNGSPW-HNNXBMFYSA-N 0 3 319.453 2.043 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCOC(C)C ZINC001566955812 1075398713 /nfs/dbraw/zinc/39/87/13/1075398713.db2.gz QLHXPCBGVDOPTC-IRXDYDNUSA-N 0 3 306.450 2.280 20 30 DEEDHN C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001566961255 1075400479 /nfs/dbraw/zinc/40/04/79/1075400479.db2.gz UGTQEVUBDCKIGM-CRAIPNDOSA-N 0 3 311.429 2.212 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)NCc1cc(F)c(OC)c(F)c1 ZINC001567011174 1075414937 /nfs/dbraw/zinc/41/49/37/1075414937.db2.gz DOOYBWMFBLEHBS-GFCCVEGCSA-N 0 3 324.371 2.371 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001567107216 1075433528 /nfs/dbraw/zinc/43/35/28/1075433528.db2.gz VIROFGIABOUEEL-IRXDYDNUSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001567155094 1075447278 /nfs/dbraw/zinc/44/72/78/1075447278.db2.gz LWRSBJLSKZRKEW-GKWYLQRDSA-N 0 3 321.248 2.336 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2)C1 ZINC001567202411 1075462944 /nfs/dbraw/zinc/46/29/44/1075462944.db2.gz OCYCHDHMLOTMAV-DLBZAZTESA-N 0 3 314.429 2.400 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001567202412 1075463080 /nfs/dbraw/zinc/46/30/80/1075463080.db2.gz OCYCHDHMLOTMAV-IAGOWNOFSA-N 0 3 314.429 2.400 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)NCc2ocnc2C)cc1 ZINC001567224405 1075467798 /nfs/dbraw/zinc/46/77/98/1075467798.db2.gz DEDLEEHQCFVPFO-CYBMUJFWSA-N 0 3 311.385 2.263 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001267721508 1079410243 /nfs/dbraw/zinc/41/02/43/1079410243.db2.gz CKVGYRINDSLHKB-HKUYNNGSSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001267723506 1079411986 /nfs/dbraw/zinc/41/19/86/1079411986.db2.gz CNUNAVVNMMUNSF-INIZCTEOSA-N 0 3 318.465 2.238 20 30 DEEDHN N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001592672892 1076951010 /nfs/dbraw/zinc/95/10/10/1076951010.db2.gz PHTGAVISGBEELL-IUODEOHRSA-N 0 3 323.404 2.133 20 30 DEEDHN N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001592672892 1076951011 /nfs/dbraw/zinc/95/10/11/1076951011.db2.gz PHTGAVISGBEELL-IUODEOHRSA-N 0 3 323.404 2.133 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC1CC[NH+](C2CCC2)CC1 ZINC001592699431 1076954551 /nfs/dbraw/zinc/95/45/51/1076954551.db2.gz ZIUQPCZZXUBDMU-UHFFFAOYSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC1CC[NH+](C2CCC2)CC1 ZINC001592699431 1076954554 /nfs/dbraw/zinc/95/45/54/1076954554.db2.gz ZIUQPCZZXUBDMU-UHFFFAOYSA-N 0 3 323.404 2.167 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2cc(C)n(C)n2)C1 ZINC001484333521 1079546199 /nfs/dbraw/zinc/54/61/99/1079546199.db2.gz RMYHNZRXNYUXCQ-GJZGRUSLSA-N 0 3 304.438 2.021 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001272682009 1079566861 /nfs/dbraw/zinc/56/68/61/1079566861.db2.gz FPSZXOITTSSZMQ-HKUYNNGSSA-N 0 3 314.429 2.347 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@@H](CNCc2ocnc2C)C1 ZINC001484375061 1079573925 /nfs/dbraw/zinc/57/39/25/1079573925.db2.gz FOMZTYPFSJNJFG-ZBFHGGJFSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)Cc1cccnc1 ZINC001484399474 1079588031 /nfs/dbraw/zinc/58/80/31/1079588031.db2.gz KIKULXBCHVGPPA-UHFFFAOYSA-N 0 3 321.424 2.266 20 30 DEEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@@H](C)C#N)CC1 ZINC001484400916 1079592230 /nfs/dbraw/zinc/59/22/30/1079592230.db2.gz HKSGNIZTGBPKNG-HNNXBMFYSA-N 0 3 312.417 2.220 20 30 DEEDHN C[C@H](CC#N)C(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001650409525 1079598059 /nfs/dbraw/zinc/59/80/59/1079598059.db2.gz BRJHVDMSSZQGDU-ILXRZTDVSA-N 0 3 313.401 2.045 20 30 DEEDHN CC(C)C#CC(=O)N[C@]1(CO)CCCN(CC2=CCCCC2)C1 ZINC001484435265 1079608745 /nfs/dbraw/zinc/60/87/45/1079608745.db2.gz PCQOWTPKZHAJAX-LJQANCHMSA-N 0 3 318.461 2.089 20 30 DEEDHN C#CCNCCN(CCO)C(=O)c1ccc(-c2ccccc2)cc1 ZINC001484499465 1079630663 /nfs/dbraw/zinc/63/06/63/1079630663.db2.gz DEFRTLDXWMSIAX-UHFFFAOYSA-N 0 3 322.408 2.011 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2cc(C)ns2)C[C@@H]1C ZINC001283968964 1079639534 /nfs/dbraw/zinc/63/95/34/1079639534.db2.gz MPORYFPQFNTNOB-UONOGXRCSA-N 0 3 305.447 2.334 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CCNCc2cc(C)n(C)n2)C1 ZINC001484532833 1079647386 /nfs/dbraw/zinc/64/73/86/1079647386.db2.gz KQVOXDMDENKCPH-HNNXBMFYSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C1=COCCO1 ZINC001484552463 1079656397 /nfs/dbraw/zinc/65/63/97/1079656397.db2.gz BNRHIUGNWQVFCG-UHFFFAOYSA-N 0 3 316.401 2.199 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2cccc(C(F)F)c2)CCC1 ZINC001484642123 1079700529 /nfs/dbraw/zinc/70/05/29/1079700529.db2.gz BSUIWWZHZRCGMS-UHFFFAOYSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ncc2n1CCCC2)c1ccccc1 ZINC001481371168 1079762740 /nfs/dbraw/zinc/76/27/40/1079762740.db2.gz BJPCUHXRJYWLDA-KRWDZBQOSA-N 0 3 324.428 2.466 20 30 DEEDHN C=C(C)CN1CCC(Nc2nc(Cl)nc3[nH]c(=O)[nH]c32)CC1 ZINC001650728554 1079771091 /nfs/dbraw/zinc/77/10/91/1079771091.db2.gz FQNROLXXXNSPOA-UHFFFAOYSA-N 0 3 322.800 2.164 20 30 DEEDHN C=CCOCC(=O)N(CCC)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001481398723 1079785506 /nfs/dbraw/zinc/78/55/06/1079785506.db2.gz XSECCSQGFBBZOO-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@]1(C)CCN(CCOC2CCC2)C1 ZINC001671642987 1079785805 /nfs/dbraw/zinc/78/58/05/1079785805.db2.gz DAKKKJYFCDOYRG-GOSISDBHSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCOCC(=O)N1CCC(C)(NCc2cc(C)no2)CC1 ZINC001484928085 1079859664 /nfs/dbraw/zinc/85/96/64/1079859664.db2.gz GBCRZNQJSRIPIU-UHFFFAOYSA-N 0 3 321.421 2.046 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001485003907 1079913964 /nfs/dbraw/zinc/91/39/64/1079913964.db2.gz HPQSTPDRJCDRQK-GOSISDBHSA-N 0 3 324.428 2.244 20 30 DEEDHN C#C[C@@H](NCCc1cccc2c1OC(F)(F)O2)[C@H]1CCCO1 ZINC001653348753 1079926015 /nfs/dbraw/zinc/92/60/15/1079926015.db2.gz HKXRSKRYTFALFA-CHWSQXEVSA-N 0 3 309.312 2.321 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@H](C)O ZINC001485042713 1079926992 /nfs/dbraw/zinc/92/69/92/1079926992.db2.gz AVCLZJPIVUHYBV-FDQGKXFDSA-N 0 3 302.418 2.095 20 30 DEEDHN CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001481486512 1079943405 /nfs/dbraw/zinc/94/34/05/1079943405.db2.gz QIUCPHIXNXQNFI-HXUWFJFHSA-N 0 3 320.436 2.232 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnn(C2CCC2)c1 ZINC001485057207 1079947334 /nfs/dbraw/zinc/94/73/34/1079947334.db2.gz WCRRDCVIBIRGEN-INIZCTEOSA-N 0 3 302.422 2.331 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1ccc(F)c(F)c1 ZINC001485080835 1079971130 /nfs/dbraw/zinc/97/11/30/1079971130.db2.gz WJGVAPYGUPPFJN-CYBMUJFWSA-N 0 3 324.371 2.452 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn3c2CCCC3)C1 ZINC001485106486 1079984782 /nfs/dbraw/zinc/98/47/82/1079984782.db2.gz HJFORJQUNFXFJW-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(Cl)no2)C1 ZINC001485107741 1079985750 /nfs/dbraw/zinc/98/57/50/1079985750.db2.gz DRTCIEQSMAGACS-UHFFFAOYSA-N 0 3 304.177 2.179 20 30 DEEDHN Cn1ncc2cc(CNCc3cccc(OCC#N)c3)cnc21 ZINC001655614710 1080009505 /nfs/dbraw/zinc/00/95/05/1080009505.db2.gz UXBTZLLCOZVLLZ-UHFFFAOYSA-N 0 3 307.357 2.160 20 30 DEEDHN N#Cc1ccc(N2CCN(c3ccnc4ccccc43)CC2)nn1 ZINC001655629866 1080010256 /nfs/dbraw/zinc/01/02/56/1080010256.db2.gz LNFQXDKVUFQGCZ-UHFFFAOYSA-N 0 3 316.368 2.223 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2C[C@@H]2CCOC2)CCC1 ZINC001656089795 1080039663 /nfs/dbraw/zinc/03/96/63/1080039663.db2.gz WWAVUZVRIGSJID-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001656102555 1080045922 /nfs/dbraw/zinc/04/59/22/1080045922.db2.gz LPLZDGHGRAJTCF-LSDHHAIUSA-N 0 3 319.453 2.189 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccn(C)n1 ZINC001656109064 1080046577 /nfs/dbraw/zinc/04/65/77/1080046577.db2.gz DNEMBRRWNGIZJD-HNNXBMFYSA-N 0 3 304.438 2.313 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1n[nH]c(C)c1C ZINC001485248758 1080084987 /nfs/dbraw/zinc/08/49/87/1080084987.db2.gz QXWUVWGJJFKASY-UHFFFAOYSA-N 0 3 312.845 2.467 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)OCC3CC3)C2)CC1 ZINC001656394721 1080085440 /nfs/dbraw/zinc/08/54/40/1080085440.db2.gz YDRHGXRXCZZKCQ-HOTGVXAUSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001656780023 1080122903 /nfs/dbraw/zinc/12/29/03/1080122903.db2.gz NQNSFRNCMGIVSQ-HZPDHXFCSA-N 0 3 308.466 2.284 20 30 DEEDHN C#CCCCC(=O)N1CCC(CO[C@@H]2CCN(CC=C)C2)CC1 ZINC001656877384 1080131938 /nfs/dbraw/zinc/13/19/38/1080131938.db2.gz MQLOAZXUNSNKIP-GOSISDBHSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001656998030 1080146049 /nfs/dbraw/zinc/14/60/49/1080146049.db2.gz SOQPQBJXDFFTTI-CVYDXHPNSA-N 0 3 306.450 2.348 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1CN(C[C@@H](O)C2CCCCC2)C1 ZINC001481623920 1080154860 /nfs/dbraw/zinc/15/48/60/1080154860.db2.gz GMGXTMRAXJYHSC-QGZVFWFLSA-N 0 3 320.477 2.025 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)C1CCC(F)(F)CC1 ZINC001485355758 1080174916 /nfs/dbraw/zinc/17/49/16/1080174916.db2.gz HLAOAYUIKIITGR-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001658114532 1080196290 /nfs/dbraw/zinc/19/62/90/1080196290.db2.gz TXUYCAIUAGEBGJ-CQSZACIVSA-N 0 3 301.308 2.320 20 30 DEEDHN Cc1ncc(CN[C@@H](CNC(=O)C#CC(C)(C)C)C(C)C)cn1 ZINC001268209210 1080197236 /nfs/dbraw/zinc/19/72/36/1080197236.db2.gz RFZNXCPVMLRHGY-INIZCTEOSA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](N[C@H](C)c1n[nH]c(C)n1)C(C)C ZINC001268212732 1080198118 /nfs/dbraw/zinc/19/81/18/1080198118.db2.gz LKIHUDIYWOUNBG-TZMCWYRMSA-N 0 3 307.442 2.261 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)[C@@H]1CC12CCC2 ZINC001485469364 1080226310 /nfs/dbraw/zinc/22/63/10/1080226310.db2.gz VCJQJKHGBCVHAU-HOTGVXAUSA-N 0 3 306.450 2.091 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)CC[C@@H]21 ZINC001268264605 1080242282 /nfs/dbraw/zinc/24/22/82/1080242282.db2.gz UPFJFLAKVMMCFC-XKJZPFPASA-N 0 3 318.461 2.161 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2ccnn2C)C1 ZINC001268270612 1080250495 /nfs/dbraw/zinc/25/04/95/1080250495.db2.gz YFKHSBNAEWXIHB-WBVHZDCISA-N 0 3 316.449 2.199 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001485535624 1080290308 /nfs/dbraw/zinc/29/03/08/1080290308.db2.gz PMKDNBMLVFULPZ-CYBMUJFWSA-N 0 3 312.417 2.118 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)Cc1ccccc1F ZINC001660303720 1080305894 /nfs/dbraw/zinc/30/58/94/1080305894.db2.gz CENLLKYUNSJCDK-OAHLLOKOSA-N 0 3 304.409 2.466 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC001485576064 1080317607 /nfs/dbraw/zinc/31/76/07/1080317607.db2.gz WTALIISYMZTEQO-OAGGEKHMSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=O)N(C)CC ZINC001660442106 1080333150 /nfs/dbraw/zinc/33/31/50/1080333150.db2.gz XWIKZGOMRPUPLC-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc2ccccc2nn1)C1CC1 ZINC001660711952 1080385236 /nfs/dbraw/zinc/38/52/36/1080385236.db2.gz FPJBNCSZCWNURU-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cc(C)nc(C)c2)C1 ZINC001481731062 1080399225 /nfs/dbraw/zinc/39/92/25/1080399225.db2.gz YTCJSVSZDOUPMA-KRWDZBQOSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN(C[C@@H](O)Cc2ccccc2)C1 ZINC001660810288 1080400131 /nfs/dbraw/zinc/40/01/31/1080400131.db2.gz NRSIYJWIGMEIJI-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN Cc1cnc(CN[C@H](CCNC(=O)C#CC2CC2)C(C)C)s1 ZINC001485784559 1080432774 /nfs/dbraw/zinc/43/27/74/1080432774.db2.gz SIQZNAWNGZVBTC-OAHLLOKOSA-N 0 3 319.474 2.485 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC12CCN(Cc1ccccn1)CC2 ZINC001661062774 1080436309 /nfs/dbraw/zinc/43/63/09/1080436309.db2.gz BLJXDUXNCRZGKW-KRWDZBQOSA-N 0 3 311.429 2.212 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001661421637 1080480241 /nfs/dbraw/zinc/48/02/41/1080480241.db2.gz FWQRJPCLDIUXNS-AJNGGQMLSA-N 0 3 318.392 2.162 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2cnccc2OC)C1 ZINC001481768267 1080484978 /nfs/dbraw/zinc/48/49/78/1080484978.db2.gz MVMNPBBSPHRFDF-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)o1 ZINC001661565509 1080494357 /nfs/dbraw/zinc/49/43/57/1080494357.db2.gz FGISBSSNNQQCHM-CALCHBBNSA-N 0 3 308.381 2.490 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001661593791 1080497462 /nfs/dbraw/zinc/49/74/62/1080497462.db2.gz SUTCITKRGFLXJD-GASCZTMLSA-N 0 3 306.356 2.361 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001661657657 1080504837 /nfs/dbraw/zinc/50/48/37/1080504837.db2.gz CKTOKXWSOUCDFO-OKILXGFUSA-N 0 3 302.422 2.124 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)CC(F)(F)F ZINC001497360480 1080505905 /nfs/dbraw/zinc/50/59/05/1080505905.db2.gz DHEBTRSVURYWSI-UHFFFAOYSA-N 0 3 313.323 2.449 20 30 DEEDHN CC[C@@H](CNC(=O)c1ncoc1C)NCC#Cc1ccccc1 ZINC001481794563 1080507078 /nfs/dbraw/zinc/50/70/78/1080507078.db2.gz KRRBXMSOKUQHPE-INIZCTEOSA-N 0 3 311.385 2.133 20 30 DEEDHN CC[C@H](CNC(=O)c1ccn(C)c1)NCc1ccc(C#N)s1 ZINC001481802308 1080512754 /nfs/dbraw/zinc/51/27/54/1080512754.db2.gz SODRDNJWGJAZHU-CYBMUJFWSA-N 0 3 316.430 2.256 20 30 DEEDHN CC[C@@H](CNC(=O)c1cscn1)NCc1ccc(C#N)s1 ZINC001481797581 1080515381 /nfs/dbraw/zinc/51/53/81/1080515381.db2.gz KOMILNLVMHJRKR-JTQLQIEISA-N 0 3 320.443 2.374 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001661748344 1080518146 /nfs/dbraw/zinc/51/81/46/1080518146.db2.gz PJHUJFNSEHMIRG-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1cc(C)ccc1OC ZINC001481810858 1080524106 /nfs/dbraw/zinc/52/41/06/1080524106.db2.gz JUZLCBDBSAYHLX-KRWDZBQOSA-N 0 3 314.429 2.401 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1ccc(OC)nc1 ZINC001661871327 1080538001 /nfs/dbraw/zinc/53/80/01/1080538001.db2.gz OQESXQSXEYEEGS-MRXNPFEDSA-N 0 3 317.433 2.180 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCOCC1CC1 ZINC001661976309 1080552176 /nfs/dbraw/zinc/55/21/76/1080552176.db2.gz ANVKZRYTOCQEMN-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCc2ccco2)C1 ZINC001661981802 1080553283 /nfs/dbraw/zinc/55/32/83/1080553283.db2.gz BFRYSQOSFINEIY-HOTGVXAUSA-N 0 3 302.418 2.452 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001662036461 1080562788 /nfs/dbraw/zinc/56/27/88/1080562788.db2.gz YVLRYDCLPVVHKO-WUUYTGORSA-N 0 3 306.409 2.160 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](CNCc1cn(C)nc1C)C1CC1 ZINC001485819419 1080566039 /nfs/dbraw/zinc/56/60/39/1080566039.db2.gz GNAFRFVWKZYZSI-INIZCTEOSA-N 0 3 318.465 2.267 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@](C)(CNCc1cccc(F)c1F)C1CC1 ZINC001481926393 1080617147 /nfs/dbraw/zinc/61/71/47/1080617147.db2.gz YTKHUIMLEHKIFG-APPDUMDISA-N 0 3 321.371 2.499 20 30 DEEDHN C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001662758719 1080649782 /nfs/dbraw/zinc/64/97/82/1080649782.db2.gz KEHYIROVGUPYKT-QWHCGFSZSA-N 0 3 313.405 2.165 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001481981621 1080664732 /nfs/dbraw/zinc/66/47/32/1080664732.db2.gz UMMFQJUFDODEAB-ZDUSSCGKSA-N 0 3 310.829 2.005 20 30 DEEDHN CCN(CC)CC(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107204763 1080677517 /nfs/dbraw/zinc/67/75/17/1080677517.db2.gz RYKWOFYCPZVZEV-AATRIKPKSA-N 0 3 318.396 2.123 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cc(F)c(Cl)cc1F ZINC001663262632 1080723583 /nfs/dbraw/zinc/72/35/83/1080723583.db2.gz NOQMUJLSGKTDLI-UHFFFAOYSA-N 0 3 300.736 2.303 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)CC2CCOCC2)cc1 ZINC001482030806 1080704209 /nfs/dbraw/zinc/70/42/09/1080704209.db2.gz VMHWSEWAEFKLHQ-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2nc(Cl)cs2)cc1 ZINC001482033122 1080716323 /nfs/dbraw/zinc/71/63/23/1080716323.db2.gz QXNZUGQOMJWPIN-UHFFFAOYSA-N 0 3 319.817 2.449 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107329041 1080732645 /nfs/dbraw/zinc/73/26/45/1080732645.db2.gz FXJAVNOZQZHXDM-QGPMSJSTSA-N 0 3 312.417 2.102 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)C3=CCCC3)CCC[C@@H]12 ZINC001107359836 1080746663 /nfs/dbraw/zinc/74/66/63/1080746663.db2.gz NUSKGKVSDFHMCK-IEBWSBKVSA-N 0 3 316.445 2.107 20 30 DEEDHN CCCc1nc(CNC[C@@H](C)CNC(=O)[C@@H](C)C#N)cs1 ZINC001482089195 1080793283 /nfs/dbraw/zinc/79/32/83/1080793283.db2.gz MDVDITCUPXXTIH-NEPJUHHUSA-N 0 3 308.451 2.097 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001663644549 1080797079 /nfs/dbraw/zinc/79/70/79/1080797079.db2.gz IJXWJVCLYVUXGG-HKUYNNGSSA-N 0 3 318.461 2.211 20 30 DEEDHN Cc1nc(CNC[C@@H](C)CNC(=O)C#CC2CC2)sc1C ZINC001482100736 1080802630 /nfs/dbraw/zinc/80/26/30/1080802630.db2.gz IFTGGVVLSUKUHQ-LLVKDONJSA-N 0 3 305.447 2.015 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)CNCc2oc(C)nc2C)C1 ZINC001482140224 1080857125 /nfs/dbraw/zinc/85/71/25/1080857125.db2.gz LGCLRSHHIZIMOT-GFCCVEGCSA-N 0 3 305.422 2.490 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCOc1ccccc1CC ZINC001664298895 1080891129 /nfs/dbraw/zinc/89/11/29/1080891129.db2.gz KTRKFLMUNFXILE-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC/C=C\CNC[C@H](F)CC ZINC001268620661 1080897729 /nfs/dbraw/zinc/89/77/29/1080897729.db2.gz XPIPOXJOWACBQM-ZPUOCTKUSA-N 0 3 302.393 2.221 20 30 DEEDHN Cc1nc(C)c(CN(CCCNC(=O)C#CC2CC2)C(C)C)o1 ZINC001664505544 1080918312 /nfs/dbraw/zinc/91/83/12/1080918312.db2.gz DZZZUTJKTYPTFE-UHFFFAOYSA-N 0 3 317.433 2.422 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)CCCc1ccc(C)cc1 ZINC001268660538 1080921998 /nfs/dbraw/zinc/92/19/98/1080921998.db2.gz PQFCLMZDKFSCFT-QGZVFWFLSA-N 0 3 316.445 2.062 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN[C@H](C)C(=O)NC1CCCC1 ZINC001268663861 1080922943 /nfs/dbraw/zinc/92/29/43/1080922943.db2.gz ZLWIANLTDPHRTC-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)c2[nH]ccc2C)C1 ZINC001664663359 1080937028 /nfs/dbraw/zinc/93/70/28/1080937028.db2.gz WLICSLXCRCKRCG-INIZCTEOSA-N 0 3 319.449 2.452 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001664700103 1080944019 /nfs/dbraw/zinc/94/40/19/1080944019.db2.gz FTAJCRRGQZCKBS-BSDKJSHOSA-N 0 3 306.450 2.067 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H]2CCN(Cc3ccnn3C)C2)C1 ZINC001664739580 1080952836 /nfs/dbraw/zinc/95/28/36/1080952836.db2.gz ARCWIDHMGBLOMW-HNNXBMFYSA-N 0 3 316.449 2.105 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001268729503 1080953932 /nfs/dbraw/zinc/95/39/32/1080953932.db2.gz NUDHOALFMKLQNK-KBXCAEBGSA-N 0 3 322.424 2.398 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001664811691 1080965132 /nfs/dbraw/zinc/96/51/32/1080965132.db2.gz FNXJIBGBPGXDHF-MRXNPFEDSA-N 0 3 316.449 2.422 20 30 DEEDHN C=CCCN(C)C[C@@H](C)NC(=O)c1cc(=O)c2ccccc2o1 ZINC001268755018 1080969752 /nfs/dbraw/zinc/96/97/52/1080969752.db2.gz OSLKBLUUXROKQQ-CYBMUJFWSA-N 0 3 314.385 2.419 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNCc1ccn(C)n1 ZINC001268761119 1080974909 /nfs/dbraw/zinc/97/49/09/1080974909.db2.gz ALXFTBZPLWNWSP-ZBFHGGJFSA-N 0 3 318.465 2.397 20 30 DEEDHN C#C[C@H](CO)NC[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001665359863 1081018321 /nfs/dbraw/zinc/01/83/21/1081018321.db2.gz UHBHRJGAUZYZSE-KGLIPLIRSA-N 0 3 312.454 2.290 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001665646687 1081056131 /nfs/dbraw/zinc/05/61/31/1081056131.db2.gz CCEUXWQPHSWANG-OLZOCXBDSA-N 0 3 322.371 2.310 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](C)n2cccc2)C1 ZINC001665738164 1081075723 /nfs/dbraw/zinc/07/57/23/1081075723.db2.gz RKJUDBQNGBAFLS-IRXDYDNUSA-N 0 3 301.434 2.385 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001665845028 1081088994 /nfs/dbraw/zinc/08/89/94/1081088994.db2.gz VZSLZJTUZUKSBG-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 ZINC001666105052 1081123833 /nfs/dbraw/zinc/12/38/33/1081123833.db2.gz SPCHLEGMQJTUER-UKRRQHHQSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](N[C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001666275335 1081140091 /nfs/dbraw/zinc/14/00/91/1081140091.db2.gz UYKUCVVYTPLSOG-MGPQQGTHSA-N 0 3 319.453 2.411 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC001490851170 1081144225 /nfs/dbraw/zinc/14/42/25/1081144225.db2.gz UWVWEQGRUSMZKL-INIZCTEOSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(OC)no2)[C@H](CC)C1 ZINC001269162658 1081145743 /nfs/dbraw/zinc/14/57/43/1081145743.db2.gz JXXVBMVQCJNYJT-UKRRQHHQSA-N 0 3 321.421 2.366 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001666387510 1081149962 /nfs/dbraw/zinc/14/99/62/1081149962.db2.gz YVCOVQUMBUVHEZ-QZTJIDSGSA-N 0 3 320.477 2.147 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1nccnc1C ZINC001666615877 1081166539 /nfs/dbraw/zinc/16/65/39/1081166539.db2.gz LKOUDCBUEVYCMH-SUMWQHHRSA-N 0 3 304.438 2.229 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC3(CN(CCOCC)C3)CC2)C1 ZINC001666828972 1081183874 /nfs/dbraw/zinc/18/38/74/1081183874.db2.gz FBRLSQMXNNVRPR-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001269268143 1081190504 /nfs/dbraw/zinc/19/05/04/1081190504.db2.gz IAXNLLOYKAVZPX-DOTOQJQBSA-N 0 3 318.465 2.098 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CCN1CCC1CCOCC1 ZINC001269279055 1081194582 /nfs/dbraw/zinc/19/45/82/1081194582.db2.gz UTMWAEHSPZOODF-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCC[C@@H](C(=O)N(C)[C@H]1CCN(CCO)C1)c1ccccc1 ZINC001269302219 1081203961 /nfs/dbraw/zinc/20/39/61/1081203961.db2.gz RXKFRKISNBBXCH-ZWKOTPCHSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001269333026 1081217126 /nfs/dbraw/zinc/21/71/26/1081217126.db2.gz UAFJQTZUUIVFEX-HOTGVXAUSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)N[C@@H](C)c1n[nH]c(CC)n1 ZINC001269448846 1081250865 /nfs/dbraw/zinc/25/08/65/1081250865.db2.gz PGNFIJKVQBDXDF-RYUDHWBXSA-N 0 3 307.442 2.125 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1ccnn1C)C(C)C ZINC001667483352 1081256809 /nfs/dbraw/zinc/25/68/09/1081256809.db2.gz FDQKCFYSDOHFFT-HNNXBMFYSA-N 0 3 306.454 2.253 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001667574584 1081265091 /nfs/dbraw/zinc/26/50/91/1081265091.db2.gz JWXGEGQMDGRCBA-GOSISDBHSA-N 0 3 320.408 2.101 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)CCN(C)C[C@H](CC)OC ZINC001667656830 1081270805 /nfs/dbraw/zinc/27/08/05/1081270805.db2.gz MISLFPGIPYMBDX-SFHVURJKSA-N 0 3 316.445 2.026 20 30 DEEDHN C=CCCC[NH2+]C1(CNC(=O)c2c(C)nc[n-]c2=O)CCCC1 ZINC001482228972 1081278568 /nfs/dbraw/zinc/27/85/68/1081278568.db2.gz 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ZINC001669200549 1081437146 /nfs/dbraw/zinc/43/71/46/1081437146.db2.gz HEALAXKVCUBMGO-FPLPWBNLSA-N 0 3 314.429 2.258 20 30 DEEDHN C=CCCN1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000950908863 1081439903 /nfs/dbraw/zinc/43/99/03/1081439903.db2.gz QTBAIYDCMGYERA-UHFFFAOYSA-N 0 3 310.401 2.411 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC001270071345 1081443074 /nfs/dbraw/zinc/44/30/74/1081443074.db2.gz TYLWUTYVZXCIFE-LJQANCHMSA-N 0 3 304.393 2.366 20 30 DEEDHN CCCn1cc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)cn1 ZINC001669411948 1081450137 /nfs/dbraw/zinc/45/01/37/1081450137.db2.gz XZLZYNVOYYFICW-MRXNPFEDSA-N 0 3 324.428 2.053 20 30 DEEDHN C#CCCCC(=O)N(C)CCCNCc1ccncc1Cl ZINC001670075436 1081495030 /nfs/dbraw/zinc/49/50/30/1081495030.db2.gz GNRLXUXTWRDFAS-UHFFFAOYSA-N 0 3 307.825 2.477 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCc2cncc(C)c2)CC1 ZINC001671418982 1081515842 /nfs/dbraw/zinc/51/58/42/1081515842.db2.gz IGPPRAQVLWCEFB-UHFFFAOYSA-N 0 3 301.434 2.479 20 30 DEEDHN C#CCN(C(=O)CC(C)(C)C=C)C1CCN(CCOC)CC1 ZINC001671477284 1081518880 /nfs/dbraw/zinc/51/88/80/1081518880.db2.gz KJFWIIBVWKVTFM-UHFFFAOYSA-N 0 3 306.450 2.161 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccc(CC)cn2)C1 ZINC001671673207 1081531484 /nfs/dbraw/zinc/53/14/84/1081531484.db2.gz IXXKTMXMVVMZKI-SFHVURJKSA-N 0 3 301.434 2.343 20 30 DEEDHN C[C@H](F)CCN1CCC(F)(F)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001671968124 1081554614 /nfs/dbraw/zinc/55/46/14/1081554614.db2.gz HUAOMONJFUHNHH-JSGCOSHPSA-N 0 3 316.367 2.221 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC/C(Cl)=C/Cl)C1 ZINC001672197680 1081565780 /nfs/dbraw/zinc/56/57/80/1081565780.db2.gz POIJSURLYCSSCM-XNAKUGGASA-N 0 3 321.248 2.335 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001270608189 1081563091 /nfs/dbraw/zinc/56/30/91/1081563091.db2.gz WCWKCKFPXXEPIS-SFHVURJKSA-N 0 3 318.417 2.013 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@@H](C)COC)C2)CC1 ZINC001672170521 1081563999 /nfs/dbraw/zinc/56/39/99/1081563999.db2.gz 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C=CCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C[C@@H]1C ZINC001674142537 1081845568 /nfs/dbraw/zinc/84/55/68/1081845568.db2.gz UGCYZXJACPNCMZ-JSGCOSHPSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)COCC1CC1 ZINC001674416361 1081868414 /nfs/dbraw/zinc/86/84/14/1081868414.db2.gz RRKNIIRHHZCBBK-IEBWSBKVSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1(COC)CC1 ZINC001674420246 1081868900 /nfs/dbraw/zinc/86/89/00/1081868900.db2.gz XBZNASULGZFKHG-SJLPKXTDSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001674457835 1081875561 /nfs/dbraw/zinc/87/55/61/1081875561.db2.gz OCUYYACGSOKQTA-HNNXBMFYSA-N 0 3 315.417 2.387 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001674475113 1081877056 /nfs/dbraw/zinc/87/70/56/1081877056.db2.gz KDRTXQBOZHUXBA-OAHLLOKOSA-N 0 3 317.433 2.055 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1c(C)noc1C ZINC001674496370 1081881485 /nfs/dbraw/zinc/88/14/85/1081881485.db2.gz 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ZINC001279147074 1082098544 /nfs/dbraw/zinc/09/85/44/1082098544.db2.gz WHXXNNARAHWYBC-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CCN(Cc2oc(C)nc2C)C1 ZINC001266527612 1082112406 /nfs/dbraw/zinc/11/24/06/1082112406.db2.gz AHJCFNHVHFCQTG-INIZCTEOSA-N 0 3 317.433 2.423 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](Cc2nccs2)C1 ZINC001650392743 1082118210 /nfs/dbraw/zinc/11/82/10/1082118210.db2.gz VRUNKGWVPAYDKG-NWDGAFQWSA-N 0 3 313.854 2.394 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(C)c3cccnc23)C1 ZINC001266538593 1082133651 /nfs/dbraw/zinc/13/36/51/1082133651.db2.gz OXBILBJCASBQEJ-HNNXBMFYSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCCC(=O)NCc1cccc2c1CCN(CCCO)C2 ZINC001280424030 1082157563 /nfs/dbraw/zinc/15/75/63/1082157563.db2.gz HGOQJLQTEOEOGG-UHFFFAOYSA-N 0 3 302.418 2.010 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC001271805418 1082159352 /nfs/dbraw/zinc/15/93/52/1082159352.db2.gz AQPRGAHDOFDCHL-SFHVURJKSA-N 0 3 314.429 2.055 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ccccn1 ZINC001271840508 1082169373 /nfs/dbraw/zinc/16/93/73/1082169373.db2.gz ZNJYCZWPOGQFLI-MRXNPFEDSA-N 0 3 301.434 2.362 20 30 DEEDHN CC[C@@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266575806 1082170040 /nfs/dbraw/zinc/17/00/40/1082170040.db2.gz AJBASHMFSWVCAI-KBRIMQKVSA-N 0 3 302.393 2.460 20 30 DEEDHN C#CCN(CCC)CCNC(=O)CCc1cc(F)ccc1F ZINC001266579088 1082172491 /nfs/dbraw/zinc/17/24/91/1082172491.db2.gz GTNVHJKCLYMZGJ-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc2[nH]c(=O)[nH]c21)C1CC1 ZINC001266595172 1082182668 /nfs/dbraw/zinc/18/26/68/1082182668.db2.gz ZZVSSTANALYXAZ-UHFFFAOYSA-N 0 3 314.389 2.039 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1COC[C@@H]1c1ccccc1)C1CC1 ZINC001266600311 1082187924 /nfs/dbraw/zinc/18/79/24/1082187924.db2.gz PTAPQXLLQQWQFX-QZTJIDSGSA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCN(CCNC(=O)c1cc2c([nH]c1=O)CCCC2)C1CC1 ZINC001266615932 1082217164 /nfs/dbraw/zinc/21/71/64/1082217164.db2.gz VZJUICQZXXFUAY-UHFFFAOYSA-N 0 3 315.417 2.046 20 30 DEEDHN C=CCCC(=O)N(C)CCN[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001266657252 1082254224 /nfs/dbraw/zinc/25/42/24/1082254224.db2.gz SHQZFGKZZUJZDF-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1cc(C(=O)N(C)CCNCc2ccc(C#N)s2)ns1 ZINC001266686478 1082283404 /nfs/dbraw/zinc/28/34/04/1082283404.db2.gz DSESXJAUSZBVMT-UHFFFAOYSA-N 0 3 320.443 2.247 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001266687892 1082285347 /nfs/dbraw/zinc/28/53/47/1082285347.db2.gz DFATYAPJLRBRNC-IYBDPMFKSA-N 0 3 314.433 2.290 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNCC(=O)N[C@@H]1CCCC[C@H]1C ZINC001266713711 1082301446 /nfs/dbraw/zinc/30/14/46/1082301446.db2.gz MXPAFEIFMMANIW-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN CN1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001648976391 1082324437 /nfs/dbraw/zinc/32/44/37/1082324437.db2.gz MQGIGHLHBSOAGH-AWEZNQCLSA-N 0 3 320.824 2.495 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](CN[C@H](C)c2nncn2C)C1 ZINC001266790992 1082346995 /nfs/dbraw/zinc/34/69/95/1082346995.db2.gz SIYQODUYGKNYHH-CABCVRRESA-N 0 3 319.453 2.061 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1noc2ccccc21 ZINC001482611276 1082392270 /nfs/dbraw/zinc/39/22/70/1082392270.db2.gz SFJWYVLUBHOQRC-UHFFFAOYSA-N 0 3 301.390 2.337 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCC(=O)NC(C)C ZINC001266877689 1082424514 /nfs/dbraw/zinc/42/45/14/1082424514.db2.gz VNCLIMUYNXJTBO-MAUKXSAKSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ncccc2F)C1 ZINC001266895470 1082437124 /nfs/dbraw/zinc/43/71/24/1082437124.db2.gz ONLGLQBMHFXLGC-GJZGRUSLSA-N 0 3 317.408 2.003 20 30 DEEDHN C#CCNCCN(CC)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC001482928894 1082565209 /nfs/dbraw/zinc/56/52/09/1082565209.db2.gz XFQXACURDFEEAV-UHFFFAOYSA-N 0 3 304.821 2.443 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)CCNC/C=C/Cl ZINC001482955199 1082576743 /nfs/dbraw/zinc/57/67/43/1082576743.db2.gz XFWWJVPYIDQEMQ-MPCGPATOSA-N 0 3 300.830 2.158 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCNCc2ccnc(OC)c2)C1 ZINC001482948442 1082578208 /nfs/dbraw/zinc/57/82/08/1082578208.db2.gz QQAYNOSEBJSOTB-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)CC(C)(C)C(F)(F)F ZINC001482965062 1082583445 /nfs/dbraw/zinc/58/34/45/1082583445.db2.gz AGPASUUZVIDKBQ-UHFFFAOYSA-N 0 3 322.371 2.053 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCc1cccc(OC)c1F ZINC001483016034 1082625279 /nfs/dbraw/zinc/62/52/79/1082625279.db2.gz OTEQULAJTBCTJL-WAYWQWQTSA-N 0 3 318.392 2.052 20 30 DEEDHN Cc1cc(CN2CC[C@@H]3CN(C(=O)C#CC(C)C)CC[C@H]32)on1 ZINC001272206058 1082666774 /nfs/dbraw/zinc/66/67/74/1082666774.db2.gz MICTXEYBCDCWTC-NVXWUHKLSA-N 0 3 315.417 2.065 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)COc1ccccc1C(C)C ZINC001483092432 1082702397 /nfs/dbraw/zinc/70/23/97/1082702397.db2.gz ZSVIMVMPQXYHHS-HJWRWDBZSA-N 0 3 314.429 2.474 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CCc1ccoc1 ZINC001483118772 1082725930 /nfs/dbraw/zinc/72/59/30/1082725930.db2.gz ZHPGOERKZSHDGM-MRXNPFEDSA-N 0 3 310.397 2.358 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@H](F)CC)C1 ZINC001409288164 1082743208 /nfs/dbraw/zinc/74/32/08/1082743208.db2.gz MXMHHJMXOJRMNY-VQXHTEKXSA-N 0 3 307.207 2.128 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001409310677 1082757789 /nfs/dbraw/zinc/75/77/89/1082757789.db2.gz PBFLWMBYMYLOIN-HSBZDZAISA-N 0 3 323.824 2.086 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccc2c(c1)CCC=C2 ZINC001483184402 1082796345 /nfs/dbraw/zinc/79/63/45/1082796345.db2.gz NITKEJRLCWTNHH-OAHLLOKOSA-N 0 3 312.413 2.004 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1=CCCC1 ZINC001483218994 1082820882 /nfs/dbraw/zinc/82/08/82/1082820882.db2.gz QWLFYDBHUJBMMN-LBPRGKRZSA-N 0 3 301.365 2.402 20 30 DEEDHN Cc1csc(CNC[C@@H]2CCC[C@H]2NC(=O)C#CC2CC2)n1 ZINC001272259996 1082823815 /nfs/dbraw/zinc/82/38/15/1082823815.db2.gz FGEYKORLJYXOGC-LSDHHAIUSA-N 0 3 317.458 2.239 20 30 DEEDHN C=CCC1(C(=O)N(C)CCCNCc2nccn2C)CCCC1 ZINC001276417220 1083423098 /nfs/dbraw/zinc/42/30/98/1083423098.db2.gz GZMQTDMVUNONAU-UHFFFAOYSA-N 0 3 318.465 2.495 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCc4ccccc43)[C@@H]2C1 ZINC001276746842 1083585823 /nfs/dbraw/zinc/58/58/23/1083585823.db2.gz ACBCMIWNQXXWPC-AFYVEPGGSA-N 0 3 322.452 2.424 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCSC)C1 ZINC001107722256 1083635402 /nfs/dbraw/zinc/63/54/02/1083635402.db2.gz FLUBWGVXPVLWSA-GOEBONIOSA-N 0 3 314.495 2.301 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001276851371 1083645379 /nfs/dbraw/zinc/64/53/79/1083645379.db2.gz BFPKTGVMDDNGTM-RDJZCZTQSA-N 0 3 304.434 2.106 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736559 1083651600 /nfs/dbraw/zinc/65/16/00/1083651600.db2.gz YPZQZXAFIUPDRO-RHSMWYFYSA-N 0 3 306.406 2.455 20 30 DEEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)N(C)Cc1ncccn1 ZINC001276885144 1083663348 /nfs/dbraw/zinc/66/33/48/1083663348.db2.gz FTAWIZPCUZITTK-QAPCUYQASA-N 0 3 314.433 2.256 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H](C)C(F)(F)F)C[C@]2(C)C1 ZINC001276906460 1083673195 /nfs/dbraw/zinc/67/31/95/1083673195.db2.gz QLWCKPOHZBNFRP-AEGPPILISA-N 0 3 316.367 2.379 20 30 DEEDHN C/C=C(\C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001490883538 1083685168 /nfs/dbraw/zinc/68/51/68/1083685168.db2.gz YMPKYPPVKWOLDR-NYGKNZBPSA-N 0 3 313.401 2.270 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001276950210 1083697034 /nfs/dbraw/zinc/69/70/34/1083697034.db2.gz PZWXEUPQKBEEQP-HIFRSBDPSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001077722968 1083746495 /nfs/dbraw/zinc/74/64/95/1083746495.db2.gz KRTLZGCDTHNLSM-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2cc(OC)no2)C1 ZINC001277053734 1083749690 /nfs/dbraw/zinc/74/96/90/1083749690.db2.gz SMKMNFHTZRAIJA-JOCQHMNTSA-N 0 3 321.421 2.270 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107867068 1083787314 /nfs/dbraw/zinc/78/73/14/1083787314.db2.gz ACYPPNUEDQFKBK-CRAIPNDOSA-N 0 3 319.449 2.201 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(F)cc3cccnc32)CC1 ZINC001277189197 1083838087 /nfs/dbraw/zinc/83/80/87/1083838087.db2.gz ITOAZXVVGQELNM-UHFFFAOYSA-N 0 3 311.360 2.249 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107892118 1083840499 /nfs/dbraw/zinc/84/04/99/1083840499.db2.gz SMZOXCPPASNBHU-CRAIPNDOSA-N 0 3 320.433 2.384 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@H](C)c2cccc(OC)c2)CC1 ZINC001277259718 1083878567 /nfs/dbraw/zinc/87/85/67/1083878567.db2.gz PRNPTNAVAROTRB-AWEZNQCLSA-N 0 3 300.402 2.060 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CCC)OC ZINC001277352078 1083922234 /nfs/dbraw/zinc/92/22/34/1083922234.db2.gz QOYANSCMABSKCX-IKGGRYGDSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCOCC(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001277448286 1083976598 /nfs/dbraw/zinc/97/65/98/1083976598.db2.gz YJSTWHYFJLDOQQ-VMPITWQZSA-N 0 3 300.830 2.254 20 30 DEEDHN C=CCc1cccc(C[NH+]2CC3(C[C@H]3C(=O)N3CC=CC3)C2)c1[O-] ZINC001277463911 1083985080 /nfs/dbraw/zinc/98/50/80/1083985080.db2.gz QVHONBKMTFPMHG-KRWDZBQOSA-N 0 3 324.424 2.341 20 30 DEEDHN C=CCc1cccc(CN2CC3(C[C@H]3C(=O)N3CC=CC3)C2)c1O ZINC001277463911 1083985086 /nfs/dbraw/zinc/98/50/86/1083985086.db2.gz QVHONBKMTFPMHG-KRWDZBQOSA-N 0 3 324.424 2.341 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](CC)c2ccc(OC)cc2)CC1 ZINC001670903527 1084040597 /nfs/dbraw/zinc/04/05/97/1084040597.db2.gz MSHWIGOHSQDSQF-QGZVFWFLSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2ccc3cccnc3c2)C1 ZINC001491110475 1084076559 /nfs/dbraw/zinc/07/65/59/1084076559.db2.gz HLZZMEQPIGPEJI-QGZVFWFLSA-N 0 3 321.424 2.239 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1CCSC3(CCC3)C1)C2 ZINC001649086175 1084101427 /nfs/dbraw/zinc/10/14/27/1084101427.db2.gz CCHCDWPMRYIHOR-IQXANGCESA-N 0 3 319.474 2.060 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(CCC(=O)OC)CCCCC1 ZINC001649102511 1084118509 /nfs/dbraw/zinc/11/85/09/1084118509.db2.gz CUUUTAUJWMNVKS-LBPRGKRZSA-N 0 3 316.829 2.229 20 30 DEEDHN Cc1cc(CN[C@@H]2CCN(C(=O)C#CC(C)C)[C@H](C)C2)on1 ZINC001277740023 1084122707 /nfs/dbraw/zinc/12/27/07/1084122707.db2.gz MISSNBCBFKBWJV-HUUCEWRRSA-N 0 3 303.406 2.112 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC1CCCCC1 ZINC001277772034 1084140986 /nfs/dbraw/zinc/14/09/86/1084140986.db2.gz URMASLFLWSBRHN-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCOCC(F)(F)F ZINC001491213989 1084154184 /nfs/dbraw/zinc/15/41/84/1084154184.db2.gz MPKMESWIWBPIHL-LBPRGKRZSA-N 0 3 308.344 2.112 20 30 DEEDHN Cc1noc(C)c1CNC[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001277851653 1084174309 /nfs/dbraw/zinc/17/43/09/1084174309.db2.gz NBAGDEBQDLDTRI-HNNXBMFYSA-N 0 3 317.433 2.422 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC(=O)N[C@@H](C)CC ZINC001277858860 1084178969 /nfs/dbraw/zinc/17/89/69/1084178969.db2.gz RJWABPQCPVPACL-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCC(=O)N[C@@H](C)CC ZINC001277858858 1084179383 /nfs/dbraw/zinc/17/93/83/1084179383.db2.gz RJWABPQCPVPACL-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)OCc1ccccc1C ZINC001277893301 1084211278 /nfs/dbraw/zinc/21/12/78/1084211278.db2.gz IXIQMSHFXGBMKO-SJORKVTESA-N 0 3 316.445 2.360 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@@H]2CC2(C)C)CC2(CCOCC2)C1 ZINC001089934861 1084214374 /nfs/dbraw/zinc/21/43/74/1084214374.db2.gz INHWLDOKHQWQOA-GJZGRUSLSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2nc(C)sc2C)C1 ZINC001491292835 1084216511 /nfs/dbraw/zinc/21/65/11/1084216511.db2.gz NCCUBOZREXHUCR-SWLSCSKDSA-N 0 3 319.474 2.152 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CC(C)C)OC)C2)C1 ZINC001671038580 1084224351 /nfs/dbraw/zinc/22/43/51/1084224351.db2.gz FASOKLPKAJXKRD-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)CCCCC(C)(C)C)C1=O ZINC001128047864 1084247038 /nfs/dbraw/zinc/24/70/38/1084247038.db2.gz QPPUIMXHLFZDHJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CNCc1cccc(N2CC[C@H](NC(=O)C(C)C)C2)n1 ZINC001128084591 1084275880 /nfs/dbraw/zinc/27/58/80/1084275880.db2.gz YWCFYQSERBACPW-INIZCTEOSA-N 0 3 316.449 2.098 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001077845225 1084280466 /nfs/dbraw/zinc/28/04/66/1084280466.db2.gz OYKONONGRABJTO-ZTFGCOKTSA-N 0 3 316.445 2.090 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncc(OC)cc1F ZINC001235073543 1084300162 /nfs/dbraw/zinc/30/01/62/1084300162.db2.gz VNABKUKFSVBUJQ-CYBMUJFWSA-N 0 3 321.396 2.342 20 30 DEEDHN CCCOCC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001235138184 1084324589 /nfs/dbraw/zinc/32/45/89/1084324589.db2.gz XLBBQZLZSJUJTE-UHFFFAOYSA-N 0 3 321.396 2.062 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC)CCOCC1 ZINC001235209105 1084345800 /nfs/dbraw/zinc/34/58/00/1084345800.db2.gz JCPJZEBBYRQJOV-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@@H]2CCOC2)CCC1 ZINC001235210478 1084347018 /nfs/dbraw/zinc/34/70/18/1084347018.db2.gz UATKIIZQZZRMDB-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@H](CNC(=O)c1cc(F)c[nH]1)NCc1ccc(C#N)c(F)c1 ZINC001491532971 1084377127 /nfs/dbraw/zinc/37/71/27/1084377127.db2.gz PMMIBHREXGXZAB-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2CCOCc2ccccc2)C1=O ZINC001272853580 1084381674 /nfs/dbraw/zinc/38/16/74/1084381674.db2.gz UGOIWFLLYNZFSG-IBGZPJMESA-N 0 3 314.429 2.456 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2c(c1)COC2 ZINC001272861794 1084387266 /nfs/dbraw/zinc/38/72/66/1084387266.db2.gz QDQYRLPUVQGPAE-HXUWFJFHSA-N 0 3 324.424 2.307 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2[nH]cnc2c1 ZINC001272861692 1084388143 /nfs/dbraw/zinc/38/81/43/1084388143.db2.gz GCTBKRPPLAUDKO-LJQANCHMSA-N 0 3 322.412 2.153 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2nc[nH]c2c1 ZINC001272861692 1084388155 /nfs/dbraw/zinc/38/81/55/1084388155.db2.gz GCTBKRPPLAUDKO-LJQANCHMSA-N 0 3 322.412 2.153 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001277939317 1084401912 /nfs/dbraw/zinc/40/19/12/1084401912.db2.gz ZKXNALQAASOHFR-LSDHHAIUSA-N 0 3 304.409 2.464 20 30 DEEDHN C=Cc1ccc(C(=O)N(C)C[C@H](C)NCC#CCOC)cc1 ZINC001277945714 1084431206 /nfs/dbraw/zinc/43/12/06/1084431206.db2.gz HOTMQYSDRYVZAE-HNNXBMFYSA-N 0 3 300.402 2.030 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001235472544 1084441393 /nfs/dbraw/zinc/44/13/93/1084441393.db2.gz SONPUHVTKFVCHP-ROUUACIJSA-N 0 3 319.493 2.197 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc(OC)c1 ZINC001272895656 1084442705 /nfs/dbraw/zinc/44/27/05/1084442705.db2.gz HDJMRAQSEJHVNV-LJQANCHMSA-N 0 3 312.413 2.285 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1COc2ccccc2C1 ZINC001272898040 1084447327 /nfs/dbraw/zinc/44/73/27/1084447327.db2.gz SYGFOJVWSFVZDR-HIFRSBDPSA-N 0 3 322.836 2.475 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCNC1=O ZINC001235569098 1084467507 /nfs/dbraw/zinc/46/75/07/1084467507.db2.gz MBRKYOUBTMUHGP-HOTGVXAUSA-N 0 3 323.481 2.016 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001235600091 1084475165 /nfs/dbraw/zinc/47/51/65/1084475165.db2.gz AYJQMZGIAHYNBZ-AWEZNQCLSA-N 0 3 320.437 2.316 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001078214596 1084591403 /nfs/dbraw/zinc/59/14/03/1084591403.db2.gz PFQGMLKPHSNWQK-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@H]1C ZINC001078468024 1084704913 /nfs/dbraw/zinc/70/49/13/1084704913.db2.gz VHLSTUQRKYUAKU-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccnc2)C12CCC2 ZINC001078518047 1084731635 /nfs/dbraw/zinc/73/16/35/1084731635.db2.gz FMTFTPQGMUXTDO-UONOGXRCSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CC)C12CCC2 ZINC001078518188 1084731861 /nfs/dbraw/zinc/73/18/61/1084731861.db2.gz HRTKFTKQUMRWEG-WDEREUQCSA-N 0 3 301.228 2.322 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)N[C@H](C)c2n[nH]c(C)n2)CCC1 ZINC001485920852 1084985944 /nfs/dbraw/zinc/98/59/44/1084985944.db2.gz TXIPJYDNCQWYEJ-CHWSQXEVSA-N 0 3 319.453 2.357 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001485961148 1085022356 /nfs/dbraw/zinc/02/23/56/1085022356.db2.gz CMSBLHIZBJLVKK-XOKHGSTOSA-N 0 3 302.393 2.389 20 30 DEEDHN CC(C)OCC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001486107387 1085067993 /nfs/dbraw/zinc/06/79/93/1085067993.db2.gz OVIFRWUKMYHZCO-SJLPKXTDSA-N 0 3 314.429 2.042 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCc2c(C)n[nH]c2C)[C@@H]1C ZINC001486188191 1085116087 /nfs/dbraw/zinc/11/60/87/1085116087.db2.gz XPTOJBZACIRXFX-GOEBONIOSA-N 0 3 304.438 2.114 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)/C=C\C(C)(C)C)CC1(C)C ZINC001486229452 1085137009 /nfs/dbraw/zinc/13/70/09/1085137009.db2.gz WGTGFACFSLGGMC-KVPUOBJLSA-N 0 3 306.450 2.065 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c2ccc(F)cc12 ZINC000960299088 1085187234 /nfs/dbraw/zinc/18/72/34/1085187234.db2.gz YBCDCNFZMDTIMW-HALDLXJZSA-N 0 3 313.376 2.163 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ocnc1CC ZINC000960305114 1085189527 /nfs/dbraw/zinc/18/95/27/1085189527.db2.gz CMILOIFGZDVCHZ-HZPDHXFCSA-N 0 3 311.385 2.408 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnoc1CC ZINC000960309606 1085190986 /nfs/dbraw/zinc/19/09/86/1085190986.db2.gz CYLKEIRWMHWMRX-NVXWUHKLSA-N 0 3 311.385 2.408 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000960316274 1085192540 /nfs/dbraw/zinc/19/25/40/1085192540.db2.gz MRBFAXIOOGGRSS-HALDLXJZSA-N 0 3 314.433 2.303 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCCOC1 ZINC000960335424 1085201991 /nfs/dbraw/zinc/20/19/91/1085201991.db2.gz ZNNUAIXOGGTKLM-POZUXBRTSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001486341075 1085209365 /nfs/dbraw/zinc/20/93/65/1085209365.db2.gz OPWLUFFIUAZSAB-WMZOPIPTSA-N 0 3 316.445 2.044 20 30 DEEDHN Cc1cc(CNC[C@H](NC(=O)C#CC2CC2)C(C)(C)C)sn1 ZINC001486397197 1085259939 /nfs/dbraw/zinc/25/99/39/1085259939.db2.gz KGTAEMZMDLALQH-HNNXBMFYSA-N 0 3 319.474 2.485 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)Cc2cncc(C)c2)CC1 ZINC001486447410 1085318710 /nfs/dbraw/zinc/31/87/10/1085318710.db2.gz AAGLIKMNWQSXPI-INIZCTEOSA-N 0 3 313.445 2.173 20 30 DEEDHN CC(C)OCCN1CC=C(CNC(=O)C#CC(C)(C)C)CC1 ZINC001486505369 1085381715 /nfs/dbraw/zinc/38/17/15/1085381715.db2.gz BXAKWHCXRXOUIN-UHFFFAOYSA-N 0 3 306.450 2.209 20 30 DEEDHN CN(C[C@H]1CC(C)(C)CO1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615238 1085384767 /nfs/dbraw/zinc/38/47/67/1085384767.db2.gz VNRJYXBFKQAJQE-IAGOWNOFSA-N 0 3 318.461 2.138 20 30 DEEDHN N#CCCCNC(=O)[C@H]1CC12CCN(Cc1ccncc1)CC2 ZINC001272950263 1085468332 /nfs/dbraw/zinc/46/83/32/1085468332.db2.gz UUONESGWIBVQIJ-MRXNPFEDSA-N 0 3 312.417 2.104 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1[nH]c(C)nc1C)C2 ZINC000965142423 1085534984 /nfs/dbraw/zinc/53/49/84/1085534984.db2.gz YVBOZRPPXQIDEF-UHFFFAOYSA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1nocc1C)C2 ZINC000965749442 1085639866 /nfs/dbraw/zinc/63/98/66/1085639866.db2.gz UIJIAGXUFMDMCD-UHFFFAOYSA-N 0 3 309.797 2.366 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC000961343644 1085697737 /nfs/dbraw/zinc/69/77/37/1085697737.db2.gz BGSLOQLEBDWVHP-HPFXQQBRSA-N 0 3 312.413 2.012 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3c(C)n[nH]c3C)CC2)C1=O ZINC001272978156 1085762269 /nfs/dbraw/zinc/76/22/69/1085762269.db2.gz NJJKUCMPRUDQCE-UHFFFAOYSA-N 0 3 316.449 2.417 20 30 DEEDHN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000966075279 1085780648 /nfs/dbraw/zinc/78/06/48/1085780648.db2.gz KEUIACUVOFUYQP-IRXDYDNUSA-N 0 3 319.493 2.101 20 30 DEEDHN COc1ccc(CN[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc1C#N ZINC000966083696 1085785578 /nfs/dbraw/zinc/78/55/78/1085785578.db2.gz ZMYWMSQRMJJFRA-CQSZACIVSA-N 0 3 319.380 2.005 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1C ZINC001273006068 1085886696 /nfs/dbraw/zinc/88/66/96/1085886696.db2.gz OHZCLODRYZWJHP-IAGOWNOFSA-N 0 3 300.377 2.333 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3c[nH]cn3)C2)C1=O ZINC001273024334 1086003740 /nfs/dbraw/zinc/00/37/40/1086003740.db2.gz PVUHMONJGCBLEW-SFHVURJKSA-N 0 3 308.385 2.086 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2CCCc2ccccc2F)C1=O ZINC001273035320 1086055620 /nfs/dbraw/zinc/05/56/20/1086055620.db2.gz AELDSPANUIWTTC-IBGZPJMESA-N 0 3 314.404 2.458 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1ccccc1F ZINC001273036344 1086059631 /nfs/dbraw/zinc/05/96/31/1086059631.db2.gz NXXRJXOGUKTJNL-IAGOWNOFSA-N 0 3 300.377 2.067 20 30 DEEDHN C=CCN1C[C@@]2(CCN(CCCc3ccc(C)o3)C2)OCC1=O ZINC001273088209 1086160780 /nfs/dbraw/zinc/16/07/80/1086160780.db2.gz YYIGDOXKSZAGCO-SFHVURJKSA-N 0 3 318.417 2.010 20 30 DEEDHN C=CCN1C(=O)COCC12CN(C[C@@H]1CCC(C)=C[C@H]1C)C2 ZINC001273124611 1086280932 /nfs/dbraw/zinc/28/09/32/1086280932.db2.gz MRZPYJWRSIOEFV-CVEARBPZSA-N 0 3 304.434 2.078 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCC(C)C)[C@@H](n2ccnn2)C1 ZINC001128681791 1086323103 /nfs/dbraw/zinc/32/31/03/1086323103.db2.gz MTDNFNMGPZOLQU-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000963261363 1086359825 /nfs/dbraw/zinc/35/98/25/1086359825.db2.gz ZNMQTHHDWDEFGR-RDJZCZTQSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000963261363 1086359837 /nfs/dbraw/zinc/35/98/37/1086359837.db2.gz ZNMQTHHDWDEFGR-RDJZCZTQSA-N 0 3 312.413 2.342 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)n1cccn1)C2 ZINC000963592560 1086505771 /nfs/dbraw/zinc/50/57/71/1086505771.db2.gz BUEGLLYQWQXTGV-BAYAOMGESA-N 0 3 322.840 2.214 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cn(C)nc1C)C2 ZINC000963642623 1086523750 /nfs/dbraw/zinc/52/37/50/1086523750.db2.gz LXZDABRTFDCTOI-UHFFFAOYSA-N 0 3 322.840 2.112 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2ccc(C#N)s2)CCC1 ZINC001129121441 1086597439 /nfs/dbraw/zinc/59/74/39/1086597439.db2.gz VIWDXPFCERAGDE-UHFFFAOYSA-N 0 3 301.415 2.019 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2snnc2C)CC1 ZINC001163377252 1087155062 /nfs/dbraw/zinc/15/50/62/1087155062.db2.gz VHYFSVYNZBJDHV-UHFFFAOYSA-N 0 3 314.842 2.089 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)cn1 ZINC001273177378 1087189729 /nfs/dbraw/zinc/18/97/29/1087189729.db2.gz LWIRXOFQHRSZMU-LJQANCHMSA-N 0 3 324.428 2.320 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)CN(CC)CC)CCC1 ZINC001063130485 1087357097 /nfs/dbraw/zinc/35/70/97/1087357097.db2.gz BVYHSVLUSBYATJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)c2C)[C@H](O)C1 ZINC001090289757 1087427343 /nfs/dbraw/zinc/42/73/43/1087427343.db2.gz LRXBNVVKOMNJBQ-LSDHHAIUSA-N 0 3 308.447 2.106 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CN(C)C(C)C)CCC1 ZINC001064401761 1087591552 /nfs/dbraw/zinc/59/15/52/1087591552.db2.gz JVVGDHRCMGDALI-KRWDZBQOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc(C(C)C)c2)[C@@H](O)C1 ZINC001083917768 1087665968 /nfs/dbraw/zinc/66/59/68/1087665968.db2.gz HBMQXBAOQILAMP-SJORKVTESA-N 0 3 302.418 2.161 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001090355849 1087704160 /nfs/dbraw/zinc/70/41/60/1087704160.db2.gz SBZQUSRIMWNOEI-CVEARBPZSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000956950898 1087907398 /nfs/dbraw/zinc/90/73/98/1087907398.db2.gz KZOZHUYRZHLHSL-UHFFFAOYSA-N 0 3 316.327 2.151 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C(C)C ZINC001114730778 1088297163 /nfs/dbraw/zinc/29/71/63/1088297163.db2.gz JAGUSJKWVHXZLS-ZSHCYNCHSA-N 0 3 318.417 2.266 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001079734562 1088366853 /nfs/dbraw/zinc/36/68/53/1088366853.db2.gz NJMKASDFKLFTNU-CZUORRHYSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001079761177 1088384430 /nfs/dbraw/zinc/38/44/30/1088384430.db2.gz UYVCMOLBDRDFPP-DGCLKSJQSA-N 0 3 310.829 2.183 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001079914586 1088488794 /nfs/dbraw/zinc/48/87/94/1088488794.db2.gz UIIRPIXUSCRHTK-GDBMZVCRSA-N 0 3 323.396 2.415 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001079953055 1088512946 /nfs/dbraw/zinc/51/29/46/1088512946.db2.gz UWILJSFOIDGLGH-HUUCEWRRSA-N 0 3 312.417 2.269 20 30 DEEDHN CCN(Cc1ocnc1C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000957692542 1088549923 /nfs/dbraw/zinc/54/99/23/1088549923.db2.gz WRYIWQCTIOYQMW-CYBMUJFWSA-N 0 3 318.421 2.203 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@]2(C)CC=C(C)CC2)CCC1 ZINC001273200407 1088562485 /nfs/dbraw/zinc/56/24/85/1088562485.db2.gz ARZUSMCEIDUGOE-SFHVURJKSA-N 0 3 318.461 2.401 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001080066586 1088601345 /nfs/dbraw/zinc/60/13/45/1088601345.db2.gz PONYUBDRKAEVDC-GDBMZVCRSA-N 0 3 302.418 2.169 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccccc2CCC)C1 ZINC000958242492 1088877878 /nfs/dbraw/zinc/87/78/78/1088877878.db2.gz CRXQRIRIRQIIJB-WMZOPIPTSA-N 0 3 316.445 2.238 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(C[C@@H]3CCCCO3)C[C@H]2C)C1 ZINC001080404694 1088910816 /nfs/dbraw/zinc/91/08/16/1088910816.db2.gz VHVMKGJSBCUMDH-OWCLPIDISA-N 0 3 306.450 2.348 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CCC2)cc1 ZINC000958479504 1089007584 /nfs/dbraw/zinc/00/75/84/1089007584.db2.gz QGEYLVMQKJBDDZ-DZFIZOCASA-N 0 3 309.413 2.295 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC001276335172 1089038518 /nfs/dbraw/zinc/03/85/18/1089038518.db2.gz VHEQPQOMNJNZDR-OAHLLOKOSA-N 0 3 302.418 2.248 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(C(C)(F)F)cc2)[C@H](O)C1 ZINC000958762982 1089166536 /nfs/dbraw/zinc/16/65/36/1089166536.db2.gz POPQIBBVBOSKOQ-UKRRQHHQSA-N 0 3 324.371 2.007 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1c1ccccc1 ZINC001081111164 1089357078 /nfs/dbraw/zinc/35/70/78/1089357078.db2.gz IYLXTJIEJIQZQB-MWLUNVDJSA-N 0 3 319.408 2.245 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC001081166212 1089364910 /nfs/dbraw/zinc/36/49/10/1089364910.db2.gz QHIIWKSGWPQHTG-BRIYLRKRSA-N 0 3 308.425 2.250 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H](OC)C1 ZINC001082086577 1089716546 /nfs/dbraw/zinc/71/65/46/1089716546.db2.gz FWRHQGUZJWQFOY-IAGOWNOFSA-N 0 3 313.401 2.173 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@H](OC)C1 ZINC001082169637 1089744392 /nfs/dbraw/zinc/74/43/92/1089744392.db2.gz GXXMWZYJQYUETF-HZPDHXFCSA-N 0 3 306.381 2.139 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@H](OC)C1 ZINC001082182207 1089762137 /nfs/dbraw/zinc/76/21/37/1089762137.db2.gz KSHMNSWIDGHRRU-OAGGEKHMSA-N 0 3 306.381 2.089 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H](OC)C1 ZINC001082210939 1089772671 /nfs/dbraw/zinc/77/26/71/1089772671.db2.gz WQQAUIWADRRCRG-IIAWOOMASA-N 0 3 306.406 2.083 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC000959920020 1089847619 /nfs/dbraw/zinc/84/76/19/1089847619.db2.gz PZRANISNUIUYST-ZFWWWQNUSA-N 0 3 303.381 2.456 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2ccccc2Cl)[C@H](OC)C1 ZINC001082358051 1089876237 /nfs/dbraw/zinc/87/62/37/1089876237.db2.gz HRJNTINHQIJBRX-HZPDHXFCSA-N 0 3 322.836 2.274 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CCCC34CC4)[C@H]2C1 ZINC001083120574 1090156865 /nfs/dbraw/zinc/15/68/65/1090156865.db2.gz SZDDEIVBQPJKGH-IXDOHACOSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001083994364 1090186358 /nfs/dbraw/zinc/18/63/58/1090186358.db2.gz KYOUXWYWNSRBRE-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083966592 1090187298 /nfs/dbraw/zinc/18/72/98/1090187298.db2.gz BSEYSPWZEMYACP-NXHRZFHOSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C1 ZINC001084416677 1090285523 /nfs/dbraw/zinc/28/55/23/1090285523.db2.gz MDRFPRUUOBCAFO-ZIAGYGMSSA-N 0 3 301.390 2.274 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccncc3)[C@@H]2C1 ZINC001084448323 1090292574 /nfs/dbraw/zinc/29/25/74/1090292574.db2.gz RPPHVGUYXOXVTB-KBAYOESNSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccccc3COC)[C@@H]2C1 ZINC001084481024 1090305170 /nfs/dbraw/zinc/30/51/70/1090305170.db2.gz OBWLHGGAMDAPHF-CRAIPNDOSA-N 0 3 312.413 2.003 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(C)(C)CO3)[C@@H]2C1 ZINC001084531025 1090321723 /nfs/dbraw/zinc/32/17/23/1090321723.db2.gz RZTUMWPXRAMQMR-IXDOHACOSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)C3(c4cc(C)no4)CC3)[C@@H]2C1 ZINC001084606252 1090347084 /nfs/dbraw/zinc/34/70/84/1090347084.db2.gz PMCODHMZVLSMLJ-HUUCEWRRSA-N 0 3 315.417 2.123 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001410215139 1090429866 /nfs/dbraw/zinc/42/98/66/1090429866.db2.gz GRCQPRIFTPEYBH-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4ccn(C)c4c3)[C@@H]2C1 ZINC001084756645 1090430604 /nfs/dbraw/zinc/43/06/04/1090430604.db2.gz HWTWXFRWILZYGN-IEBWSBKVSA-N 0 3 321.424 2.348 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001084776724 1090440577 /nfs/dbraw/zinc/44/05/77/1090440577.db2.gz PDPOJHCJMVOGRY-UKRRQHHQSA-N 0 3 306.431 2.236 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(O)ccc3F)C2)C1=O ZINC001273286505 1090709295 /nfs/dbraw/zinc/70/92/95/1090709295.db2.gz IFQCIPVYAUBTLA-QGZVFWFLSA-N 0 3 304.365 2.142 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@@H+](Cc3cncc([O-])c3)CC2)C1=O ZINC001274284412 1091169267 /nfs/dbraw/zinc/16/92/67/1091169267.db2.gz WRYJYMHPDYWYLP-GOSISDBHSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@H+](Cc3cncc([O-])c3)CC2)C1=O ZINC001274284412 1091169279 /nfs/dbraw/zinc/16/92/79/1091169279.db2.gz WRYJYMHPDYWYLP-GOSISDBHSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cncc(O)c3)CC2)C1=O ZINC001274284412 1091169288 /nfs/dbraw/zinc/16/92/88/1091169288.db2.gz WRYJYMHPDYWYLP-GOSISDBHSA-N 0 3 315.417 2.178 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(C)c1OC ZINC001274311559 1091181843 /nfs/dbraw/zinc/18/18/43/1091181843.db2.gz SZZYEBVVTBFWPQ-IAGOWNOFSA-N 0 3 312.413 2.202 20 30 DEEDHN CC1(C)CN(CCOCC2CC2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001274434861 1091241279 /nfs/dbraw/zinc/24/12/79/1091241279.db2.gz GWEAWQIYXPZHFH-QGZVFWFLSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001274467567 1091259399 /nfs/dbraw/zinc/25/93/99/1091259399.db2.gz FUUHEHIVLOBITH-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1cnc(C)[nH]1)CC2 ZINC001274576406 1091303427 /nfs/dbraw/zinc/30/34/27/1091303427.db2.gz NFHXXLHUFNUQCN-UHFFFAOYSA-N 0 3 316.449 2.499 20 30 DEEDHN C[C@H]1CCN(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001412361469 1091347447 /nfs/dbraw/zinc/34/74/47/1091347447.db2.gz BVWJNMUCOOWHJJ-AWEZNQCLSA-N 0 3 312.417 2.001 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cncc(OCC)c3)C2)C1=O ZINC001274665551 1091359172 /nfs/dbraw/zinc/35/91/72/1091359172.db2.gz VWRYGNCUGQKKOC-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1cc(=O)[nH]c(C2CC2)n1 ZINC001274772947 1091409364 /nfs/dbraw/zinc/40/93/64/1091409364.db2.gz DXDQSVIDXDMJPA-GFCCVEGCSA-N 0 3 318.421 2.010 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001411238031 1091455264 /nfs/dbraw/zinc/45/52/64/1091455264.db2.gz QTJBIIAZUWLFQC-UKRRQHHQSA-N 0 3 315.889 2.296 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2sccc2F)CC1 ZINC001274903890 1091469264 /nfs/dbraw/zinc/46/92/64/1091469264.db2.gz QGKNDRLELFYSAJ-UHFFFAOYSA-N 0 3 312.410 2.020 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccc(OC)nn1 ZINC001134470593 1091657341 /nfs/dbraw/zinc/65/73/41/1091657341.db2.gz RFHBIVXKTLRZTK-KBPBESRZSA-N 0 3 320.437 2.214 20 30 DEEDHN C[C@H](NCc1ccnc(Cl)c1)[C@H](C)NC(=O)C#CC1CC1 ZINC001275394850 1091712399 /nfs/dbraw/zinc/71/23/99/1091712399.db2.gz SBEVHRILBQZVTB-RYUDHWBXSA-N 0 3 305.809 2.131 20 30 DEEDHN C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001275424814 1091737136 /nfs/dbraw/zinc/73/71/36/1091737136.db2.gz QPKCNSDIKRZLAG-VXGBXAGGSA-N 0 3 318.421 2.122 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NCc2cnn(C)c2)CC1 ZINC001275481404 1091789208 /nfs/dbraw/zinc/78/92/08/1091789208.db2.gz LFUBRXVZNNQKLR-KGLIPLIRSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2cnc(C)nc2)C1 ZINC001275490009 1091799876 /nfs/dbraw/zinc/79/98/76/1091799876.db2.gz AZPWIMQXTQVHBL-QWHCGFSZSA-N 0 3 302.422 2.124 20 30 DEEDHN CN1C[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001275525325 1091829986 /nfs/dbraw/zinc/82/99/86/1091829986.db2.gz IDGFOGGHDYQZDU-SMDDNHRTSA-N 0 3 323.318 2.353 20 30 DEEDHN C=CCCCCN(C)[C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257942218 1091830813 /nfs/dbraw/zinc/83/08/13/1091830813.db2.gz RKCZFTLCGKTVNI-CQSZACIVSA-N 0 3 319.467 2.031 20 30 DEEDHN C[C@H](CCCC#N)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001172494885 1091832358 /nfs/dbraw/zinc/83/23/58/1091832358.db2.gz ZEHFGFXHXWCZMU-MGPQQGTHSA-N 0 3 311.426 2.029 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001275559858 1091860628 /nfs/dbraw/zinc/86/06/28/1091860628.db2.gz MWVDHMUHXQUNPJ-VVLHAWIVSA-N 0 3 306.450 2.228 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CN(C)c2ccccc2)CC1 ZINC001273475974 1091870386 /nfs/dbraw/zinc/87/03/86/1091870386.db2.gz XHBKXHZXAIQBBT-QGZVFWFLSA-N 0 3 313.445 2.117 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)Cc2occc2C)CC1 ZINC000948761274 1091921054 /nfs/dbraw/zinc/92/10/54/1091921054.db2.gz CIRCPLIPKNVRQQ-MRXNPFEDSA-N 0 3 302.418 2.467 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cccn3ccnc23)CC1 ZINC000948845164 1091964021 /nfs/dbraw/zinc/96/40/21/1091964021.db2.gz OSUHFXXWBPMYOZ-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2c(C)noc2Cl)CC1 ZINC000948852661 1091966029 /nfs/dbraw/zinc/96/60/29/1091966029.db2.gz SJPDPVHGGRYXKH-ZDUSSCGKSA-N 0 3 323.824 2.125 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)/C=C(/C)C1CC1)CCO2 ZINC000949041113 1092036662 /nfs/dbraw/zinc/03/66/62/1092036662.db2.gz PTNRVEDBHDRTEC-PEZBUJJGSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(C)c(Cl)cn3)C2)C1=O ZINC001273780268 1092044549 /nfs/dbraw/zinc/04/45/49/1092044549.db2.gz VDFBPASHESLSFL-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc[nH]c1CC)CCO2 ZINC000949089833 1092047769 /nfs/dbraw/zinc/04/77/69/1092047769.db2.gz QIWWBAKZNYYBQI-UHFFFAOYSA-N 0 3 317.433 2.070 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC000949329265 1092110051 /nfs/dbraw/zinc/11/00/51/1092110051.db2.gz PTZPJAUZDBDCGG-VOTSOKGWSA-N 0 3 304.434 2.222 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H]3CC[C@H](F)C3)CC2)C1 ZINC000949454117 1092151752 /nfs/dbraw/zinc/15/17/52/1092151752.db2.gz DBAQMDBWOGIVHE-CVEARBPZSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001273834219 1092287409 /nfs/dbraw/zinc/28/74/09/1092287409.db2.gz UPZSSKYRBPTZCB-NVXWUHKLSA-N 0 3 312.429 2.252 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H](C)N(C)CCOC(C)C ZINC001275986176 1092442850 /nfs/dbraw/zinc/44/28/50/1092442850.db2.gz JOWPNTJWHMVPOV-INIZCTEOSA-N 0 3 316.445 2.072 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@](CO)(NC/C=C/Cl)C1 ZINC001273885615 1092479824 /nfs/dbraw/zinc/47/98/24/1092479824.db2.gz PONHZNHEWKMSIH-SGJXGLNRSA-N 0 3 300.830 2.038 20 30 DEEDHN CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2cccc(C#N)c2)on1 ZINC001273884788 1092479398 /nfs/dbraw/zinc/47/93/98/1092479398.db2.gz KQUZWVHDUBPXDQ-HOTGVXAUSA-N 0 3 322.368 2.132 20 30 DEEDHN C=CCCCC(=O)N(CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001488466669 1092574146 /nfs/dbraw/zinc/57/41/46/1092574146.db2.gz PXQLOQVBAOOAMA-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Oc1ccccn1 ZINC001488684203 1092684510 /nfs/dbraw/zinc/68/45/10/1092684510.db2.gz VOIKZKYQMZREJN-HZPDHXFCSA-N 0 3 317.433 2.348 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)CC(C)C)C1 ZINC001488810153 1092759682 /nfs/dbraw/zinc/75/96/82/1092759682.db2.gz PFAMXRLVNFRNPD-HAQNSBGRSA-N 0 3 303.244 2.426 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)CC(C)(C)C1 ZINC001489342647 1093029934 /nfs/dbraw/zinc/02/99/34/1093029934.db2.gz RTLWZAUOQNSKJM-ZIAGYGMSSA-N 0 3 319.453 2.380 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)CC(C)(C)C1 ZINC001489342647 1093029941 /nfs/dbraw/zinc/02/99/41/1093029941.db2.gz RTLWZAUOQNSKJM-ZIAGYGMSSA-N 0 3 319.453 2.380 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001489347078 1093031886 /nfs/dbraw/zinc/03/18/86/1093031886.db2.gz HTZZMOFFKDMGNM-INIZCTEOSA-N 0 3 320.477 2.455 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(C)Cc2cccnc2C)nc1 ZINC001490272018 1093269353 /nfs/dbraw/zinc/26/93/53/1093269353.db2.gz XVKDWJQXPPAGOW-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCc1cn[nH]c1 ZINC001490301965 1093284096 /nfs/dbraw/zinc/28/40/96/1093284096.db2.gz FYRBKTHKPOBEOL-ZFWWWQNUSA-N 0 3 324.856 2.454 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001490413884 1093370030 /nfs/dbraw/zinc/37/00/30/1093370030.db2.gz XJKKIIAVHMSHHR-AWEZNQCLSA-N 0 3 304.438 2.023 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001490547891 1093405418 /nfs/dbraw/zinc/40/54/18/1093405418.db2.gz JDYQMKLSTNXYLN-DLBZAZTESA-N 0 3 302.418 2.267 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001490577090 1093428606 /nfs/dbraw/zinc/42/86/06/1093428606.db2.gz JMVNJUYSAYMGAA-MRXNPFEDSA-N 0 3 315.417 2.090 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C2(C(F)F)CC2)cc1 ZINC001274027258 1093772575 /nfs/dbraw/zinc/77/25/75/1093772575.db2.gz VDKMUKXMICAMFD-OWOJBTEDSA-N 0 3 319.355 2.366 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(F)c(F)cc3N)C2)C1=O ZINC001274167480 1093831147 /nfs/dbraw/zinc/83/11/47/1093831147.db2.gz FHHCVZVYLCNYAD-QGZVFWFLSA-N 0 3 321.371 2.157 20 30 DEEDHN C=CCCC(=O)N1C[C@H](NCc2cc(CO)ccc2F)[C@@H](C)C1 ZINC001274179510 1093837406 /nfs/dbraw/zinc/83/74/06/1093837406.db2.gz JLRJXJCWVRLOOV-GUYCJALGSA-N 0 3 320.408 2.221 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001274227325 1093868527 /nfs/dbraw/zinc/86/85/27/1093868527.db2.gz GQHBZYKFYLHKLC-OPCNFVSTSA-N 0 3 300.377 2.215 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccccc1Cl)C1CC1 ZINC001420719104 1171082550 /nfs/dbraw/zinc/08/25/50/1171082550.db2.gz QMSMXGLRPPRNDF-XHDPSFHLSA-N 0 3 305.809 2.484 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)nc1 ZINC001277995793 1138392720 /nfs/dbraw/zinc/39/27/20/1138392720.db2.gz VPIQAVJDLOCGGP-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN CCN1CC2(C1)CCOC[C@@H]2C(=O)Nc1cc(C)ccc1C#N ZINC001278161987 1138809150 /nfs/dbraw/zinc/80/91/50/1138809150.db2.gz RNEWMLWLQXWFKK-OAHLLOKOSA-N 0 3 313.401 2.164 20 30 DEEDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C#N)c(OC)c1)C2 ZINC001238413022 1138844649 /nfs/dbraw/zinc/84/46/49/1138844649.db2.gz LKABLEJLKMVXRB-IMJJTQAJSA-N 0 3 314.385 2.340 20 30 DEEDHN CCCCCCCCCOC(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239338313 1139023360 /nfs/dbraw/zinc/02/33/60/1139023360.db2.gz QCBJKFAQTMILJE-ZIAGYGMSSA-N 0 3 314.426 2.306 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1scnc1C ZINC001281965773 1139049088 /nfs/dbraw/zinc/04/90/88/1139049088.db2.gz WTAJDCQROTWMCZ-CQSZACIVSA-N 0 3 307.463 2.493 20 30 DEEDHN COc1cc(C#N)ccc1-c1ccc(OCCN2CCCC2)nn1 ZINC001241393501 1139802893 /nfs/dbraw/zinc/80/28/93/1139802893.db2.gz NCHCSECYCNODNX-UHFFFAOYSA-N 0 3 324.384 2.498 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1sc2ncccc2c1N ZINC001297372670 1139864123 /nfs/dbraw/zinc/86/41/23/1139864123.db2.gz AKXXMCNWLSMDTI-UHFFFAOYSA-N 0 3 318.446 2.458 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001298127223 1140005006 /nfs/dbraw/zinc/00/50/06/1140005006.db2.gz DUZOLAGQHIOGJP-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001298836996 1140088808 /nfs/dbraw/zinc/08/88/08/1140088808.db2.gz NTBSIOCYBCERPT-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](CNC(=O)c1ncccc1F)NCc1ccc(C#N)s1 ZINC001491617454 1140207545 /nfs/dbraw/zinc/20/75/45/1140207545.db2.gz HCKLNBIVJZWHNF-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001318415333 1140321007 /nfs/dbraw/zinc/32/10/07/1140321007.db2.gz XZFQZFFCHLYLHM-IRXDYDNUSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001318436129 1140327528 /nfs/dbraw/zinc/32/75/28/1140327528.db2.gz FLPOXOKGMDOHHC-OAHLLOKOSA-N 0 3 304.438 2.475 20 30 DEEDHN N#Cc1cccnc1NCCNCc1cc2ccccc2[nH]c1=O ZINC001318617999 1140373632 /nfs/dbraw/zinc/37/36/32/1140373632.db2.gz MHDRCEKMZBBPQF-UHFFFAOYSA-N 0 3 319.368 2.409 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001318786692 1140414336 /nfs/dbraw/zinc/41/43/36/1140414336.db2.gz AMHCLUOJSICPBY-CYBMUJFWSA-N 0 3 302.846 2.118 20 30 DEEDHN Cc1oncc1CNCC[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001318793650 1140419789 /nfs/dbraw/zinc/41/97/89/1140419789.db2.gz JPOWAVSBNOCPGI-INIZCTEOSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccnc(C)n2)C1 ZINC001318855161 1140440924 /nfs/dbraw/zinc/44/09/24/1140440924.db2.gz RNMYATSCOPKZRS-CQSZACIVSA-N 0 3 322.840 2.369 20 30 DEEDHN Cc1oncc1CN1CCC(CCNC(=O)C#CC2CC2)CC1 ZINC001319019642 1140491388 /nfs/dbraw/zinc/49/13/88/1140491388.db2.gz ZCWNPGVDPSJZDA-UHFFFAOYSA-N 0 3 315.417 2.115 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](NCc2cnc(C)nc2)C[C@@H]1C ZINC001278398832 1140536318 /nfs/dbraw/zinc/53/63/18/1140536318.db2.gz PUWDWEBBOSHQOY-YOEHRIQHSA-N 0 3 314.433 2.058 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001319403541 1140565082 /nfs/dbraw/zinc/56/50/82/1140565082.db2.gz ROPOQLMNQWKMEU-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)c(OC)c2)C1 ZINC001278403256 1140594048 /nfs/dbraw/zinc/59/40/48/1140594048.db2.gz HIBXAQXYNNHMBM-TZMCWYRMSA-N 0 3 304.365 2.050 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N1CCCCC1 ZINC001319512251 1140606535 /nfs/dbraw/zinc/60/65/35/1140606535.db2.gz WUJPORZVAGTLAQ-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C)CCCCC1 ZINC001319590379 1140621126 /nfs/dbraw/zinc/62/11/26/1140621126.db2.gz RUAFEUOQDJMSQG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CNCCF)CC(C)C ZINC001319631550 1140628825 /nfs/dbraw/zinc/62/88/25/1140628825.db2.gz PCNXIVQIOVRLJV-ILXRZTDVSA-N 0 3 300.418 2.058 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](CNCC#CCOC)CC(C)C)C1 ZINC001319633798 1140631553 /nfs/dbraw/zinc/63/15/53/1140631553.db2.gz LILKYTZKPANRRR-INIZCTEOSA-N 0 3 306.450 2.113 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001278406598 1140645354 /nfs/dbraw/zinc/64/53/54/1140645354.db2.gz YUGPTFSXYQZCLI-IBGZPJMESA-N 0 3 314.429 2.321 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001320025457 1140813178 /nfs/dbraw/zinc/81/31/78/1140813178.db2.gz IAMJNJOFAGUMQI-QWHCGFSZSA-N 0 3 322.371 2.453 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCN(C)CCc2ccccc2)cn1 ZINC001320072471 1140818204 /nfs/dbraw/zinc/81/82/04/1140818204.db2.gz JAJKEYBIECWQSS-UHFFFAOYSA-N 0 3 321.424 2.309 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2cnoc2C)C1 ZINC001320097648 1140820951 /nfs/dbraw/zinc/82/09/51/1140820951.db2.gz NWUSKPQHCPBXMP-DOTOQJQBSA-N 0 3 315.417 2.209 20 30 DEEDHN C=CCO[C@@H]1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC001320320789 1140849425 /nfs/dbraw/zinc/84/94/25/1140849425.db2.gz JEOBMWYDSNYVHE-QGZVFWFLSA-N 0 3 316.401 2.495 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1cc(C)on1 ZINC001320671850 1140892581 /nfs/dbraw/zinc/89/25/81/1140892581.db2.gz KGTFASGLEROEMZ-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001278451570 1140924231 /nfs/dbraw/zinc/92/42/31/1140924231.db2.gz WJOLMSRIILKHFN-AEFFLSMTSA-N 0 3 302.393 2.171 20 30 DEEDHN O=C(C#CC1CC1)NC/C=C\CNCc1ccc(CF)cc1 ZINC001321052979 1141041089 /nfs/dbraw/zinc/04/10/89/1141041089.db2.gz VRXINPMCSKFLIM-UPHRSURJSA-N 0 3 300.377 2.332 20 30 DEEDHN C=CCO[C@@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001321159980 1141071092 /nfs/dbraw/zinc/07/10/92/1141071092.db2.gz UTNDVODKMZZHFL-HUUCEWRRSA-N 0 3 309.454 2.093 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)C[C@H](C)c1ccccc1 ZINC001321379302 1141217947 /nfs/dbraw/zinc/21/79/47/1141217947.db2.gz WVBOGNLUGKRLOJ-TUYSUELWSA-N 0 3 314.429 2.092 20 30 DEEDHN CCCCCCCCNC(=S)N1CCOC[C@@H]1CN(C)C ZINC001247158087 1141309571 /nfs/dbraw/zinc/30/95/71/1141309571.db2.gz JQBWADHTXUOWQS-HNNXBMFYSA-N 0 3 315.527 2.484 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@@H](C)c2n[nH]c(C)n2)CCC1 ZINC001321978952 1141375820 /nfs/dbraw/zinc/37/58/20/1141375820.db2.gz SJQLZGDGBKCMKH-RYUDHWBXSA-N 0 3 305.426 2.015 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC1CCCC1 ZINC001322003573 1141379699 /nfs/dbraw/zinc/37/96/99/1141379699.db2.gz ZLWIANLTDPHRTC-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCCNC(=S)NC1CCN(Cc2ccc(O)cc2)CC1 ZINC001247679547 1141415654 /nfs/dbraw/zinc/41/56/54/1141415654.db2.gz NQISLTFNPGVENH-UHFFFAOYSA-N 0 3 319.474 2.397 20 30 DEEDHN C[C@@H](CN(C)CCc1c(F)cccc1F)NC(=O)C#CC1CC1 ZINC001322156546 1141417999 /nfs/dbraw/zinc/41/79/99/1141417999.db2.gz KZPHOKXXULRVOV-ZDUSSCGKSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)CCc1ccc(OC)c(F)c1 ZINC001322206190 1141461675 /nfs/dbraw/zinc/46/16/75/1141461675.db2.gz OXRMYBUSAPOPOZ-CYBMUJFWSA-N 0 3 308.397 2.389 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C(F)(F)F)ccn1 ZINC001322273145 1141499554 /nfs/dbraw/zinc/49/95/54/1141499554.db2.gz DPDHFARARZIEMS-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)Cc2ccc(OC)cc2)C1=O ZINC001322590925 1141638117 /nfs/dbraw/zinc/63/81/17/1141638117.db2.gz XGWNLERAULNTRQ-WMLDXEAASA-N 0 3 302.418 2.345 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001323309229 1141840273 /nfs/dbraw/zinc/84/02/73/1141840273.db2.gz MQHJHJSSXOFFSJ-LSDHHAIUSA-N 0 3 304.438 2.370 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001323616589 1141870048 /nfs/dbraw/zinc/87/00/48/1141870048.db2.gz MSBHSTOIYILNTD-QGZVFWFLSA-N 0 3 304.434 2.011 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCOCC(C)C)C1 ZINC001323637688 1141872375 /nfs/dbraw/zinc/87/23/75/1141872375.db2.gz MMADLGYQABHWRU-ROUUACIJSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCC=C ZINC001323673228 1141875603 /nfs/dbraw/zinc/87/56/03/1141875603.db2.gz NSPBUUMAVKARQW-BBWFWOEESA-N 0 3 304.434 2.056 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc4cnn(C)c4c3)no2)CCCN1 ZINC001249351857 1141877334 /nfs/dbraw/zinc/87/73/34/1141877334.db2.gz MOGUYXHDHLGZBC-QGZVFWFLSA-N 0 3 307.357 2.225 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc(OC)c(OC)c3)no2)CCCN1 ZINC001249351823 1141877466 /nfs/dbraw/zinc/87/74/66/1141877466.db2.gz KNWPVYAJSAAXKX-QGZVFWFLSA-N 0 3 313.357 2.356 20 30 DEEDHN C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1cnc[n-]c1=O ZINC001324181171 1142024494 /nfs/dbraw/zinc/02/44/94/1142024494.db2.gz PJFLCAFZLOISNS-CQSZACIVSA-N 0 3 318.421 2.123 20 30 DEEDHN C#CCN(C(=O)[C@H](C)C1CC1)C1CCN(CCOC(C)C)CC1 ZINC001324376080 1142065450 /nfs/dbraw/zinc/06/54/50/1142065450.db2.gz ADPILQHZNAFOHZ-MRXNPFEDSA-N 0 3 320.477 2.384 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4ncc(C#N)cn4)cc3)CC2)CC1 ZINC001250507570 1142222060 /nfs/dbraw/zinc/22/20/60/1142222060.db2.gz MAHBZCODIKDYPR-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccc3c2OCC3)CC1 ZINC001278626744 1142372766 /nfs/dbraw/zinc/37/27/66/1142372766.db2.gz ICACFPSYAYESPK-UHFFFAOYSA-N 0 3 312.413 2.087 20 30 DEEDHN C#CCOC[C@@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC001251821837 1142516589 /nfs/dbraw/zinc/51/65/89/1142516589.db2.gz YIUOJZVNMUGMMC-KRWDZBQOSA-N 0 3 305.805 2.440 20 30 DEEDHN C#CCOC[C@@H](O)CN[C@@H](C)c1ccccc1Br ZINC001251887605 1142534712 /nfs/dbraw/zinc/53/47/12/1142534712.db2.gz GHAZUDBFFNXEIA-RYUDHWBXSA-N 0 3 312.207 2.110 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2cc(OC)no2)C1 ZINC001278662339 1142691975 /nfs/dbraw/zinc/69/19/75/1142691975.db2.gz BJNSPGZABOQMAR-KRWDZBQOSA-N 0 3 321.421 2.020 20 30 DEEDHN C=CCOC[C@@H](O)CN(Cc1cccc(OC)c1)[C@H](C)COC ZINC001252470364 1142724029 /nfs/dbraw/zinc/72/40/29/1142724029.db2.gz KFPVPJUWFMJXRQ-WBVHZDCISA-N 0 3 323.433 2.096 20 30 DEEDHN C=CCC[C@@H](O)CNc1cccc(CN2CCN(C)CC2)c1 ZINC001252607833 1142788279 /nfs/dbraw/zinc/78/82/79/1142788279.db2.gz SDALWTGRLNKPSE-GOSISDBHSA-N 0 3 303.450 2.173 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001252681760 1142807265 /nfs/dbraw/zinc/80/72/65/1142807265.db2.gz TUMXUZMMHNJZPT-WMZOPIPTSA-N 0 3 318.417 2.187 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)Cc2cccnc2C)C1 ZINC001278677440 1142809095 /nfs/dbraw/zinc/80/90/95/1142809095.db2.gz IGLZBDPZUVDYGR-IBGZPJMESA-N 0 3 313.445 2.174 20 30 DEEDHN COc1ccc(OC[C@H](O)CNCc2csc(C#N)c2)cc1 ZINC001252738497 1142813136 /nfs/dbraw/zinc/81/31/36/1142813136.db2.gz VJQGFSBLSPPUIS-CYBMUJFWSA-N 0 3 318.398 2.158 20 30 DEEDHN COCCc1ccc(OC[C@H](O)CNCC#CC(C)(C)C)cc1 ZINC001253073163 1142841703 /nfs/dbraw/zinc/84/17/03/1142841703.db2.gz NOCSVYGWALBTPF-QGZVFWFLSA-N 0 3 319.445 2.254 20 30 DEEDHN CCOc1cccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1O ZINC001338287615 1142845312 /nfs/dbraw/zinc/84/53/12/1142845312.db2.gz FXQUACYHKXWWOA-OKILXGFUSA-N 0 3 303.406 2.209 20 30 DEEDHN C#Cc1cccc(CNC[C@](C)(O)C(=O)OCc2ccccc2)c1 ZINC001253652369 1142887570 /nfs/dbraw/zinc/88/75/70/1142887570.db2.gz BMBGYPGFBGMTFA-FQEVSTJZSA-N 0 3 323.392 2.252 20 30 DEEDHN C=CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC=C ZINC001338933616 1142893055 /nfs/dbraw/zinc/89/30/55/1142893055.db2.gz GPNUKRIBZUMCOW-HUUCEWRRSA-N 0 3 319.453 2.086 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](O)CNCc1ccccc1Cl ZINC001278736906 1142894204 /nfs/dbraw/zinc/89/42/04/1142894204.db2.gz CZSSTOXDOHKBAZ-CQSZACIVSA-N 0 3 310.825 2.215 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC001339059843 1142910289 /nfs/dbraw/zinc/91/02/89/1142910289.db2.gz DQKSDROJUSKHDU-CVEARBPZSA-N 0 3 313.401 2.148 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2CCN([C@H](C)CC)CC2)n1C ZINC001339286877 1143007085 /nfs/dbraw/zinc/00/70/85/1143007085.db2.gz WLMJBEJWTPVDNM-CQSZACIVSA-N 0 3 303.454 2.037 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC001339968488 1143209267 /nfs/dbraw/zinc/20/92/67/1143209267.db2.gz HYNOLYNRMVUMPA-ZDUSSCGKSA-N 0 3 322.405 2.359 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)C(=O)CN1CCCC1 ZINC001340090795 1143263925 /nfs/dbraw/zinc/26/39/25/1143263925.db2.gz UMKVJOVSNVCSMO-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC001340284009 1143316175 /nfs/dbraw/zinc/31/61/75/1143316175.db2.gz PYGRPYXXHLVOSE-IEZWGBDMSA-N 0 3 318.461 2.416 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001340332623 1143325985 /nfs/dbraw/zinc/32/59/85/1143325985.db2.gz ZAVLBPXECGLZNV-KKUMJFAQSA-N 0 3 303.454 2.366 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(F)(F)C1 ZINC001340443023 1143347165 /nfs/dbraw/zinc/34/71/65/1143347165.db2.gz GVSHYDDTCRLQEJ-GFCCVEGCSA-N 0 3 311.380 2.119 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC001340666108 1143393486 /nfs/dbraw/zinc/39/34/86/1143393486.db2.gz DSRYPAFYWKKQIL-LSDHHAIUSA-N 0 3 310.438 2.252 20 30 DEEDHN CCOC(=O)CN(CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001255120012 1143429211 /nfs/dbraw/zinc/42/92/11/1143429211.db2.gz ILEVWGCEGCQDQZ-QGZVFWFLSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC001340772833 1143437550 /nfs/dbraw/zinc/43/75/50/1143437550.db2.gz DHHNACZRQOCFOU-QGZVFWFLSA-N 0 3 317.433 2.027 20 30 DEEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)C2CCOCC2)CC1 ZINC001255162473 1143450863 /nfs/dbraw/zinc/45/08/63/1143450863.db2.gz QNPBQNSXFHIORR-BZUAXINKSA-N 0 3 307.438 2.122 20 30 DEEDHN CC[C@@H](CC#N)N1C[C@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC001255169884 1143465190 /nfs/dbraw/zinc/46/51/90/1143465190.db2.gz LFTZHFCFSVMRER-JKSUJKDBSA-N 0 3 319.449 2.030 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](C2CCOCC2)C1 ZINC001341370039 1143590894 /nfs/dbraw/zinc/59/08/94/1143590894.db2.gz CSSRFBYLRNVVNX-HOTGVXAUSA-N 0 3 307.438 2.063 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC001341579528 1143632206 /nfs/dbraw/zinc/63/22/06/1143632206.db2.gz QIHMKIFESDFNJW-WOPDTQHZSA-N 0 3 308.344 2.238 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC001341601394 1143636086 /nfs/dbraw/zinc/63/60/86/1143636086.db2.gz PASIQKPHPMSDKL-KGLIPLIRSA-N 0 3 306.406 2.262 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001341826018 1143719661 /nfs/dbraw/zinc/71/96/61/1143719661.db2.gz QJXCEIWINHRDMB-IRXDYDNUSA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001278873216 1143767720 /nfs/dbraw/zinc/76/77/20/1143767720.db2.gz CVJBMCOXMSFJIL-WMLDXEAASA-N 0 3 322.424 2.256 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2ccc(F)cc2F)CC1 ZINC001342306440 1143810591 /nfs/dbraw/zinc/81/05/91/1143810591.db2.gz JXOFLFFVZNSYCS-HNNXBMFYSA-N 0 3 323.387 2.297 20 30 DEEDHN C[C@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC001342565703 1143824093 /nfs/dbraw/zinc/82/40/93/1143824093.db2.gz IEFBCTGNFBCZHL-GXTWGEPZSA-N 0 3 315.373 2.467 20 30 DEEDHN COCCOc1ncccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001342665225 1143829484 /nfs/dbraw/zinc/82/94/84/1143829484.db2.gz WHCKKXOMUQRPRX-LBPRGKRZSA-N 0 3 315.304 2.131 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1ccc2nc[nH]c2n1)C(C)C ZINC001278912369 1143830411 /nfs/dbraw/zinc/83/04/11/1143830411.db2.gz NSKLIIDAWKPACL-UHFFFAOYSA-N 0 3 315.421 2.316 20 30 DEEDHN COc1ccc(CNC(=O)[C@H](N)CCCCC#N)c(C)c1OC ZINC001342733571 1143833283 /nfs/dbraw/zinc/83/32/83/1143833283.db2.gz YJOHRLLBBWMFSF-CQSZACIVSA-N 0 3 319.405 2.040 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001299541401 1144053732 /nfs/dbraw/zinc/05/37/32/1144053732.db2.gz UBSGDGLOFHYUSK-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCS(=O)(=O)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001259925034 1144159330 /nfs/dbraw/zinc/15/93/30/1144159330.db2.gz UBCBTJTYYKDOBL-SJORKVTESA-N 0 3 320.458 2.099 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC001263158071 1144359301 /nfs/dbraw/zinc/35/93/01/1144359301.db2.gz QRCJKHRIDRMBLE-CVEARBPZSA-N 0 3 306.381 2.409 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001263243898 1144363473 /nfs/dbraw/zinc/36/34/73/1144363473.db2.gz KQGKLSAAKZLOIR-AWEZNQCLSA-N 0 3 301.394 2.032 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001263884108 1144420042 /nfs/dbraw/zinc/42/00/42/1144420042.db2.gz BGIATTSJZKOEEV-DLBZAZTESA-N 0 3 316.445 2.308 20 30 DEEDHN CC[C@H](C)C(=O)N1CC2(C[C@@H]1C)CCN(CC#CCOC)CC2 ZINC001263934974 1144426969 /nfs/dbraw/zinc/42/69/69/1144426969.db2.gz RCOXOGKBIMLPFA-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccc(C)c(C)c2)[C@H]1C ZINC001264173184 1144495838 /nfs/dbraw/zinc/49/58/38/1144495838.db2.gz ZUTZCMIRYPQFKC-WBVHZDCISA-N 0 3 302.418 2.447 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001264192522 1144503140 /nfs/dbraw/zinc/50/31/40/1144503140.db2.gz ASZSXBKLDWRTQK-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CCCCC1 ZINC001264353309 1144512603 /nfs/dbraw/zinc/51/26/03/1144512603.db2.gz WKOSSTYWCZUZHU-HUUCEWRRSA-N 0 3 321.465 2.015 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCC2CCOCC2)[C@H]1CC ZINC001264620236 1144578803 /nfs/dbraw/zinc/57/88/03/1144578803.db2.gz ZGUOYBJDVUIBAU-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ncc(Cl)cc1Cl ZINC001265050941 1144632606 /nfs/dbraw/zinc/63/26/06/1144632606.db2.gz RCTCASXWHPUAFR-UHFFFAOYSA-N 0 3 314.216 2.463 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H](c1cccnc1)C(C)C)C1CC1 ZINC001265180744 1144661976 /nfs/dbraw/zinc/66/19/76/1144661976.db2.gz ZXEJMXKEDLNFAJ-GOSISDBHSA-N 0 3 313.445 2.425 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCc2ccc(F)cc2)C1 ZINC001265303671 1144687955 /nfs/dbraw/zinc/68/79/55/1144687955.db2.gz MVMHATXVFOHDHD-QGZVFWFLSA-N 0 3 302.393 2.362 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001265304088 1144688472 /nfs/dbraw/zinc/68/84/72/1144688472.db2.gz VKDUZWQLGJGFJR-AWEZNQCLSA-N 0 3 313.401 2.175 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)CCc2ccccc2F)C1 ZINC001265317334 1144692023 /nfs/dbraw/zinc/69/20/23/1144692023.db2.gz NIOSIZZQAFTJMZ-MRXNPFEDSA-N 0 3 320.408 2.151 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)OCC(C)C)CC1 ZINC001265323766 1144693440 /nfs/dbraw/zinc/69/34/40/1144693440.db2.gz NFTJAGUZUPSXKQ-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN COCC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CC1 ZINC001265693826 1144729472 /nfs/dbraw/zinc/72/94/72/1144729472.db2.gz NTDFIDZHYCUUDE-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN O=C(c1ccccc1O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265888868 1144751291 /nfs/dbraw/zinc/75/12/91/1144751291.db2.gz XHPYMZPKXNUFSE-KRWDZBQOSA-N 0 3 320.392 2.248 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC001265928965 1144760219 /nfs/dbraw/zinc/76/02/19/1144760219.db2.gz ZELJOUUVLVKIOT-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001265947480 1144765726 /nfs/dbraw/zinc/76/57/26/1144765726.db2.gz MRWSGKMTWNJQLN-JSGCOSHPSA-N 0 3 306.356 2.282 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cnnn1CC ZINC001265993300 1144779611 /nfs/dbraw/zinc/77/96/11/1144779611.db2.gz WLAPTPWKWAYGII-HOCLYGCPSA-N 0 3 319.453 2.123 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001266193240 1144812886 /nfs/dbraw/zinc/81/28/86/1144812886.db2.gz HESNTCXRLKKXDY-DLBZAZTESA-N 0 3 308.466 2.404 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NCc2ccnn2C)C1 ZINC001279288299 1144820107 /nfs/dbraw/zinc/82/01/07/1144820107.db2.gz PQGPYPFXARDHBD-PGEKIEPBSA-N 0 3 304.438 2.101 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCc3ccc(F)cc3)C[C@@H]2C1 ZINC001279395239 1144821699 /nfs/dbraw/zinc/82/16/99/1144821699.db2.gz GCLXYYDBLBVINW-CALCHBBNSA-N 0 3 314.404 2.172 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001279518887 1144823414 /nfs/dbraw/zinc/82/34/14/1144823414.db2.gz NZUYETNKLYYLNC-FUHWJXTLSA-N 0 3 308.466 2.025 20 30 DEEDHN C#CCCCCC(=O)NCC1=CCN(C[C@H]2CC[C@@H](C)O2)CC1 ZINC001279536930 1144824156 /nfs/dbraw/zinc/82/41/56/1144824156.db2.gz XMRUGWMRHVMPBU-SJLPKXTDSA-N 0 3 318.461 2.496 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H](OC)C(C)C)c(F)c1 ZINC001279716537 1144827563 /nfs/dbraw/zinc/82/75/63/1144827563.db2.gz VGYKYHZNDVRWJD-MRXNPFEDSA-N 0 3 308.397 2.389 20 30 DEEDHN CCc1nc(C)c(CNCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001279999653 1144830744 /nfs/dbraw/zinc/83/07/44/1144830744.db2.gz OMDBVIXTKYHBMU-JSGCOSHPSA-N 0 3 318.421 2.033 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1 ZINC001280350470 1144836137 /nfs/dbraw/zinc/83/61/37/1144836137.db2.gz JYOOOJHVMRCZJG-CYBMUJFWSA-N 0 3 322.412 2.112 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001280438881 1144839667 /nfs/dbraw/zinc/83/96/67/1144839667.db2.gz BNTPVMCTNSMUOI-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2cccc(OC)c2F)CCC1 ZINC001280483079 1144842044 /nfs/dbraw/zinc/84/20/44/1144842044.db2.gz LCTZRWBXFVJXBE-UHFFFAOYSA-N 0 3 318.392 2.029 20 30 DEEDHN C#CCNC1(CNC(=O)c2coc(-c3ccccc3)n2)CCC1 ZINC001280533824 1144844200 /nfs/dbraw/zinc/84/42/00/1144844200.db2.gz JKERXNJHZVDKRP-UHFFFAOYSA-N 0 3 309.369 2.217 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001280760838 1144853610 /nfs/dbraw/zinc/85/36/10/1144853610.db2.gz SMPVRERBHQFUBE-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001280865251 1144860175 /nfs/dbraw/zinc/86/01/75/1144860175.db2.gz YHYSRWDZIANYOQ-UHFFFAOYSA-N 0 3 313.376 2.401 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001281169752 1144875838 /nfs/dbraw/zinc/87/58/38/1144875838.db2.gz YQUWNYPZJWXQHX-QFBILLFUSA-N 0 3 320.477 2.169 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COC2CCCCC2)C[C@@H]1C ZINC001281668872 1144903626 /nfs/dbraw/zinc/90/36/26/1144903626.db2.gz FQMICHWVOXDMOX-HOTGVXAUSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2ccnn2C)CCC1 ZINC001282185012 1145009566 /nfs/dbraw/zinc/00/95/66/1145009566.db2.gz MOTNKHDYCBWLLC-UONOGXRCSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001282411921 1145063463 /nfs/dbraw/zinc/06/34/63/1145063463.db2.gz LAYYDMXTVRXKLI-RHSMWYFYSA-N 0 3 302.418 2.427 20 30 DEEDHN CC(C)OCCN(C)[C@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001282498200 1145079984 /nfs/dbraw/zinc/07/99/84/1145079984.db2.gz WSRDNOUJQXISDL-QGZVFWFLSA-N 0 3 316.445 2.290 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCc1scnc1C ZINC001282678571 1145122647 /nfs/dbraw/zinc/12/26/47/1145122647.db2.gz WDHULSQIGBLZHU-OAHLLOKOSA-N 0 3 319.474 2.378 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1CN(CCCF)CC1(C)C ZINC001282790994 1145165512 /nfs/dbraw/zinc/16/55/12/1145165512.db2.gz LBVNJDJEYVHWAK-KBPBESRZSA-N 0 3 300.418 2.154 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001282745823 1145159900 /nfs/dbraw/zinc/15/99/00/1145159900.db2.gz XLSFMAZMMUYIMS-JKSUJKDBSA-N 0 3 314.429 2.222 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC001282820456 1145170137 /nfs/dbraw/zinc/17/01/37/1145170137.db2.gz CIHJKKYIVOLZKT-CABCVRRESA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001283043232 1145245961 /nfs/dbraw/zinc/24/59/61/1145245961.db2.gz HPJUIPAWDGOJHC-JOCQHMNTSA-N 0 3 313.405 2.022 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1cc(C)c(C)cc1Cl ZINC001283409387 1145397381 /nfs/dbraw/zinc/39/73/81/1145397381.db2.gz XGDHIEJDNLREDX-UHFFFAOYSA-N 0 3 322.836 2.268 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001283424164 1145406617 /nfs/dbraw/zinc/40/66/17/1145406617.db2.gz VGSPILAHPNNPHS-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001283465019 1145447932 /nfs/dbraw/zinc/44/79/32/1145447932.db2.gz OMLJEZLMAWRZMV-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1ccc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)n1C ZINC001283573712 1145529966 /nfs/dbraw/zinc/52/99/66/1145529966.db2.gz WUEBBGKVIWTNCT-MRXNPFEDSA-N 0 3 323.440 2.435 20 30 DEEDHN Cc1ncsc1CN[C@@H](C)CN(C)C(=O)C#CC(C)(C)C ZINC001283608397 1145543129 /nfs/dbraw/zinc/54/31/29/1145543129.db2.gz QPLJRKPTAHIRSK-LBPRGKRZSA-N 0 3 307.463 2.438 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C)cc1C#N ZINC001364850561 1145630324 /nfs/dbraw/zinc/63/03/24/1145630324.db2.gz FLEIHLVYASZUQT-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CO)NCc1ccc(C)c(C)c1 ZINC001283760156 1145633846 /nfs/dbraw/zinc/63/38/46/1145633846.db2.gz SYJVZOMKMYJUOX-QGZVFWFLSA-N 0 3 318.461 2.472 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001284015818 1145752317 /nfs/dbraw/zinc/75/23/17/1145752317.db2.gz VOVCROYRIPCWSP-PWSUYJOCSA-N 0 3 310.319 2.320 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(CCc2ccnn2C)[C@@H]1C ZINC001284128875 1145804579 /nfs/dbraw/zinc/80/45/79/1145804579.db2.gz PJVCFNHHPDCIMJ-NVXWUHKLSA-N 0 3 318.465 2.288 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCc2ccnn2C)[C@@H]1C ZINC001284128877 1145804866 /nfs/dbraw/zinc/80/48/66/1145804866.db2.gz PJVCFNHHPDCIMJ-WBVHZDCISA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCCn2nc(C)cc2C)[C@@H]1C ZINC001284133571 1145805642 /nfs/dbraw/zinc/80/56/42/1145805642.db2.gz YSUZZRLINOQWKF-IRXDYDNUSA-N 0 3 318.465 2.435 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C)nnc1C)C(C)C ZINC001284535853 1145868437 /nfs/dbraw/zinc/86/84/37/1145868437.db2.gz APALGLMDEKRIMH-UHFFFAOYSA-N 0 3 304.438 2.452 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](OCC)C(=C)C)CC1 ZINC001284711786 1145893903 /nfs/dbraw/zinc/89/39/03/1145893903.db2.gz BHCKNVGVRPLWMU-RDJZCZTQSA-N 0 3 306.450 2.208 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H](OC)[C@H](C)CC)CC2)CC1 ZINC001284841148 1145934853 /nfs/dbraw/zinc/93/48/53/1145934853.db2.gz BXHQOQVANZQHLH-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)/C=C\c3ccc[nH]3)CC2)CC1 ZINC001284842872 1145935415 /nfs/dbraw/zinc/93/54/15/1145935415.db2.gz FICQVOLBFPSWNG-SREVYHEPSA-N 0 3 311.429 2.412 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@H](C)C2CCC2)CC1 ZINC001284928537 1145974787 /nfs/dbraw/zinc/97/47/87/1145974787.db2.gz OCQNPXNIVJRGJN-OAHLLOKOSA-N 0 3 306.450 2.374 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)C2CCC(F)CC2)CC1 ZINC001284960515 1145995050 /nfs/dbraw/zinc/99/50/50/1145995050.db2.gz UFNUGQOMVMIBBU-UHFFFAOYSA-N 0 3 324.440 2.466 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001365848407 1146027695 /nfs/dbraw/zinc/02/76/95/1146027695.db2.gz UPFOIZQCXJEQEI-IHRRRGAJSA-N 0 3 323.824 2.086 20 30 DEEDHN Cc1ncoc1CN1CC[C@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C1 ZINC001365903185 1146055365 /nfs/dbraw/zinc/05/53/65/1146055365.db2.gz JGJMZNYIFSFKHQ-JSGCOSHPSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001285645312 1146254713 /nfs/dbraw/zinc/25/47/13/1146254713.db2.gz JEXAQVULEHQHDF-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc(C)n1CCN(C)Cc1ccccc1 ZINC001286277022 1146547120 /nfs/dbraw/zinc/54/71/20/1146547120.db2.gz WBDCCSGEJMZDJR-OAHLLOKOSA-N 0 3 311.433 2.176 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC1CC(N(C)C(=O)CN(CC)CC)C1 ZINC001288315815 1146792678 /nfs/dbraw/zinc/79/26/78/1146792678.db2.gz RZKZMZVBLJKDLM-QQFBHYJXSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]1CC ZINC001290464072 1146836856 /nfs/dbraw/zinc/83/68/56/1146836856.db2.gz BJVNEJSWCJVSLJ-ARFHVFGLSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001491876461 1146945374 /nfs/dbraw/zinc/94/53/74/1146945374.db2.gz NJWYTAHWNLBBMX-LSDHHAIUSA-N 0 3 303.406 2.304 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCc2nc(C)cs2)C1 ZINC001491940067 1147009694 /nfs/dbraw/zinc/00/96/94/1147009694.db2.gz ZGPROUUKODQDAH-OAHLLOKOSA-N 0 3 319.474 2.330 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)Cc1cnn(C)c1 ZINC001492143094 1147094848 /nfs/dbraw/zinc/09/48/48/1147094848.db2.gz ZCLBIIXQBULYML-OAHLLOKOSA-N 0 3 324.856 2.076 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCCN1CC#N ZINC001492171939 1147112678 /nfs/dbraw/zinc/11/26/78/1147112678.db2.gz TXEXLNNSLVROCA-IAGOWNOFSA-N 0 3 320.481 2.134 20 30 DEEDHN C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001492231195 1147171767 /nfs/dbraw/zinc/17/17/67/1147171767.db2.gz OAYZSHUNHPJUNO-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)Cc1c(C)cc(C)cc1C ZINC001492236187 1147175389 /nfs/dbraw/zinc/17/53/89/1147175389.db2.gz GZGPWLWOLSOMBA-IBGZPJMESA-N 0 3 318.461 2.487 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCC[C@H](N(C)CC#CC)C1)OCC ZINC001317376855 1147364880 /nfs/dbraw/zinc/36/48/80/1147364880.db2.gz QOZFSJWXRKHSTF-DLBZAZTESA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CN(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001307728331 1147433820 /nfs/dbraw/zinc/43/38/20/1147433820.db2.gz QYPLBBOWSGZJDN-CQSZACIVSA-N 0 3 308.447 2.480 20 30 DEEDHN Cn1cc(CNCc2ccc[nH]c2=O)c(-c2ccc(C#N)cc2)n1 ZINC001308482506 1147474710 /nfs/dbraw/zinc/47/47/10/1147474710.db2.gz QUPJMOLRDXXUCW-UHFFFAOYSA-N 0 3 319.368 2.349 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC001316799309 1147600996 /nfs/dbraw/zinc/60/09/96/1147600996.db2.gz CDNHXBQONAVPSE-BPQIPLTHSA-N 0 3 315.461 2.444 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001316960023 1147639319 /nfs/dbraw/zinc/63/93/19/1147639319.db2.gz DKZFNVRNPLIIFH-HKUYNNGSSA-N 0 3 321.509 2.369 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2ccoc2C(C)C)CC1 ZINC001316967981 1147640000 /nfs/dbraw/zinc/64/00/00/1147640000.db2.gz ONJMPXNYLIRFON-UHFFFAOYSA-N 0 3 319.449 2.327 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC12CCN(CCOCC(F)F)CC2 ZINC001317001083 1147646977 /nfs/dbraw/zinc/64/69/77/1147646977.db2.gz VACVZKGHLWMWDI-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN CCCCCC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001317003496 1147647270 /nfs/dbraw/zinc/64/72/70/1147647270.db2.gz XFUIHQWNGAQLIO-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccn1 ZINC001317043273 1147652119 /nfs/dbraw/zinc/65/21/19/1147652119.db2.gz LSUKEXJLONBSSU-VQHPVUNQSA-N 0 3 316.449 2.474 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(=O)[nH]c2)CCCC1 ZINC001367162576 1147658772 /nfs/dbraw/zinc/65/87/72/1147658772.db2.gz HBARIFBFNMNALR-UHFFFAOYSA-N 0 3 309.797 2.172 20 30 DEEDHN C#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001317095953 1147659053 /nfs/dbraw/zinc/65/90/53/1147659053.db2.gz NOFMHRKNLOSMSE-AYHJJNSGSA-N 0 3 311.429 2.497 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001317111043 1147660949 /nfs/dbraw/zinc/66/09/49/1147660949.db2.gz PJYGZFGJBRRBKU-VBQJREDUSA-N 0 3 324.371 2.029 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCc3ccnn3C)C2)CCCC1 ZINC001317129124 1147663407 /nfs/dbraw/zinc/66/34/07/1147663407.db2.gz QNFONJOLEIGMEC-GASCZTMLSA-N 0 3 316.449 2.293 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001317137815 1147665014 /nfs/dbraw/zinc/66/50/14/1147665014.db2.gz NTLFJTVLVYDUME-QGZVFWFLSA-N 0 3 310.441 2.488 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1cc[nH]c1 ZINC001367257428 1147670428 /nfs/dbraw/zinc/67/04/28/1147670428.db2.gz UDZBFRZYHXGCIJ-GFCCVEGCSA-N 0 3 314.364 2.181 20 30 DEEDHN CC#CCCCC(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001317196915 1147674801 /nfs/dbraw/zinc/67/48/01/1147674801.db2.gz ZHDGHASGUDOLLW-INIZCTEOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N[C@H](C)C(=O)N1CCCCC1 ZINC001317243692 1147681959 /nfs/dbraw/zinc/68/19/59/1147681959.db2.gz ZGFDJBXJWXLBGB-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC001317322547 1147690605 /nfs/dbraw/zinc/69/06/05/1147690605.db2.gz YMJRFCYWUYAPNL-CQSZACIVSA-N 0 3 315.417 2.150 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC001317388843 1147700973 /nfs/dbraw/zinc/70/09/73/1147700973.db2.gz IJDMEUBMQGTMBB-OAHLLOKOSA-N 0 3 316.449 2.007 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001317470497 1147713447 /nfs/dbraw/zinc/71/34/47/1147713447.db2.gz ZOAWMQKIUBEIOE-AWEZNQCLSA-N 0 3 308.397 2.355 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1ccsc1 ZINC001317493569 1147715017 /nfs/dbraw/zinc/71/50/17/1147715017.db2.gz BIMLGCBFKNWJAZ-HNNXBMFYSA-N 0 3 308.447 2.074 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)Cc1ccsc1 ZINC001317493570 1147715033 /nfs/dbraw/zinc/71/50/33/1147715033.db2.gz BIMLGCBFKNWJAZ-OAHLLOKOSA-N 0 3 308.447 2.074 20 30 DEEDHN Cc1nc(C)c(CN2CC[C@H](CNC(=O)C#CC3CC3)C2)s1 ZINC001317521786 1147719541 /nfs/dbraw/zinc/71/95/41/1147719541.db2.gz FASYGJYZFPYRMB-OAHLLOKOSA-N 0 3 317.458 2.111 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCN(CCc1cnn(C)c1)C1CC1 ZINC001317553851 1147724093 /nfs/dbraw/zinc/72/40/93/1147724093.db2.gz DYSAIPODWAJJGW-UHFFFAOYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCN(CCNC(=O)Cc1cn2c(C)csc2n1)C1CC1 ZINC001317555027 1147724437 /nfs/dbraw/zinc/72/44/37/1147724437.db2.gz PIFOFSRVQIBRDM-UHFFFAOYSA-N 0 3 318.446 2.013 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC001317554272 1147724537 /nfs/dbraw/zinc/72/45/37/1147724537.db2.gz FSSPYDXGBAHBFH-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCCCC(=O)N(C)CCNCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC001317629428 1147735462 /nfs/dbraw/zinc/73/54/62/1147735462.db2.gz WRPCAPIHFGBYHE-IYBDPMFKSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccc(C)c2ccccc12 ZINC001317634590 1147736189 /nfs/dbraw/zinc/73/61/89/1147736189.db2.gz RAQKZEDUZIZLMU-UHFFFAOYSA-N 0 3 324.424 2.460 20 30 DEEDHN Cc1ccc(CC(=O)N(C)CCNCc2cccc(C#N)c2)cn1 ZINC001317663758 1147740709 /nfs/dbraw/zinc/74/07/09/1147740709.db2.gz LPUCEUIPNYOSPN-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN CCOCC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001317681380 1147743331 /nfs/dbraw/zinc/74/33/31/1147743331.db2.gz ZKPWFMIGTXKVEZ-UHFFFAOYSA-N 0 3 316.445 2.291 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1snnc1C)c1ccccc1 ZINC001317713692 1147746480 /nfs/dbraw/zinc/74/64/80/1147746480.db2.gz GEXFEBBIIGNWDM-CQSZACIVSA-N 0 3 316.430 2.483 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](NCC(=C)C)c1ccccc1 ZINC001317718920 1147747201 /nfs/dbraw/zinc/74/72/01/1147747201.db2.gz RIUXCXFSMKWHOM-AEFFLSMTSA-N 0 3 302.418 2.337 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@H](C)O ZINC001317740417 1147748514 /nfs/dbraw/zinc/74/85/14/1147748514.db2.gz MHGZYZQVSPAIFO-VVLHAWIVSA-N 0 3 308.466 2.425 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC[C@@H](C)O)C1 ZINC001317739806 1147748614 /nfs/dbraw/zinc/74/86/14/1147748614.db2.gz AXBFYVLVPVCVEY-OAGGEKHMSA-N 0 3 306.450 2.179 20 30 DEEDHN C=C[C@H](C(=O)NCC1CN(C[C@@H](C)OC)C1)c1ccccc1 ZINC001318175653 1147789307 /nfs/dbraw/zinc/78/93/07/1147789307.db2.gz DBGNDMGSEAYNCL-PBHICJAKSA-N 0 3 302.418 2.039 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001318192694 1147794145 /nfs/dbraw/zinc/79/41/45/1147794145.db2.gz GMNDZXHWEYNRHV-RDBSUJKOSA-N 0 3 303.381 2.474 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC001318284051 1147806996 /nfs/dbraw/zinc/80/69/96/1147806996.db2.gz ONEBBAFQYVYUAY-AWEZNQCLSA-N 0 3 321.808 2.045 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)c2ccncc2)CC1 ZINC001324870576 1147854747 /nfs/dbraw/zinc/85/47/47/1147854747.db2.gz ZMFNWAJOKRAQAB-INIZCTEOSA-N 0 3 313.445 2.427 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(OCC)nc2)C1 ZINC001324935415 1147860252 /nfs/dbraw/zinc/86/02/52/1147860252.db2.gz DTJDDNLDVNVDFN-SFHVURJKSA-N 0 3 317.433 2.498 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(Cl)c1F ZINC001324970216 1147862665 /nfs/dbraw/zinc/86/26/65/1147862665.db2.gz LUEXMLRDCHLLMF-UHFFFAOYSA-N 0 3 311.788 2.233 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)CCC2CCCCCC2)C1 ZINC001325114426 1147877066 /nfs/dbraw/zinc/87/70/66/1147877066.db2.gz LXDMRXYNXCUQEE-GOSISDBHSA-N 0 3 308.466 2.476 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001325227424 1147886132 /nfs/dbraw/zinc/88/61/32/1147886132.db2.gz FHHWNFSGEWWWBI-ZBFHGGJFSA-N 0 3 311.809 2.357 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC1(F)F ZINC001325693066 1147984752 /nfs/dbraw/zinc/98/47/52/1147984752.db2.gz CWAPZNPPKYMGLD-OAHLLOKOSA-N 0 3 306.356 2.283 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001325864964 1148010455 /nfs/dbraw/zinc/01/04/55/1148010455.db2.gz KLOHYLHUNQORSS-QFBILLFUSA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)Cc2cncs2)C1 ZINC001326290963 1148070254 /nfs/dbraw/zinc/07/02/54/1148070254.db2.gz RXUWDOKRAJMWSZ-GFCCVEGCSA-N 0 3 313.854 2.266 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001326398536 1148091996 /nfs/dbraw/zinc/09/19/96/1148091996.db2.gz QHIYYZMPRNAFES-LBPRGKRZSA-N 0 3 311.788 2.415 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNCC=C(Cl)Cl ZINC001326690999 1148203671 /nfs/dbraw/zinc/20/36/71/1148203671.db2.gz KWJQVYNUEVJKHJ-WDEREUQCSA-N 0 3 304.221 2.436 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NCC(=O)NC(C)(C)C)CCC1 ZINC001326890833 1148283339 /nfs/dbraw/zinc/28/33/39/1148283339.db2.gz SNGRQSGAWSIXNQ-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCNC1(CNC(=O)CO[C@H]2CCCC[C@H]2C)CCC1 ZINC001326900808 1148285249 /nfs/dbraw/zinc/28/52/49/1148285249.db2.gz XIJKCOQKJFWKDZ-CVEARBPZSA-N 0 3 306.450 2.234 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1 ZINC001327080642 1148322196 /nfs/dbraw/zinc/32/21/96/1148322196.db2.gz LTBWZXIUSHNXOU-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000424071129 230593506 /nfs/dbraw/zinc/59/35/06/230593506.db2.gz UIMFFRVWCRPKCZ-INIZCTEOSA-N 0 3 313.401 2.129 20 30 DEEDHN CCn1c2ccc(F)cc2nc1NC(=O)[C@@H](N)CCCC#N ZINC000424171042 230603280 /nfs/dbraw/zinc/60/32/80/230603280.db2.gz LBNSJCZMASQUKC-NSHDSACASA-N 0 3 303.341 2.155 20 30 DEEDHN C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)C1=CCN(C)CC1 ZINC000272858477 210252101 /nfs/dbraw/zinc/25/21/01/210252101.db2.gz IAWGHJCKNIGFRF-AWEZNQCLSA-N 0 3 324.428 2.497 20 30 DEEDHN Cc1[nH]nc(NC(=O)c2cccc(CN3CCCC3)c2)c1C#N ZINC000278694277 214333245 /nfs/dbraw/zinc/33/32/45/214333245.db2.gz RNEPIMHWSDMPCA-UHFFFAOYSA-N 0 3 309.373 2.438 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCSCC1)C(C)C ZINC000079440234 185171634 /nfs/dbraw/zinc/17/16/34/185171634.db2.gz JCZVETHGGJMEPO-OAHLLOKOSA-N 0 3 311.495 2.443 20 30 DEEDHN C[C@H](CCCOc1ccccc1C(N)=O)NCC(C)(C)C#N ZINC000613620703 362164291 /nfs/dbraw/zinc/16/42/91/362164291.db2.gz YTCRMVZATKWZFU-CYBMUJFWSA-N 0 3 303.406 2.472 20 30 DEEDHN CN(C(=O)CN(C[C@@H]1CCOC1)C1CC1)C1(C#N)CCCCC1 ZINC000046092584 539337485 /nfs/dbraw/zinc/33/74/85/539337485.db2.gz TVQNRBCRORXFGZ-HNNXBMFYSA-N 0 3 319.449 2.172 20 30 DEEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CC[C@@H](C#N)C1 ZINC000442776842 529918627 /nfs/dbraw/zinc/91/86/27/529918627.db2.gz HSBDUJOXVXFIGS-IFIJOSMWSA-N 0 3 310.401 2.107 20 30 DEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)CC(C)(C)CC#N ZINC000331313255 529931796 /nfs/dbraw/zinc/93/17/96/529931796.db2.gz IDNYTOUGJRYLBT-CQSZACIVSA-N 0 3 315.483 2.062 20 30 DEEDHN CN(CCc1ccncc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279543328 529936997 /nfs/dbraw/zinc/93/69/97/529936997.db2.gz NNPYWSVCTNYPPG-SFHVURJKSA-N 0 3 318.380 2.337 20 30 DEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncccc1C#N ZINC000302489397 529958340 /nfs/dbraw/zinc/95/83/40/529958340.db2.gz YSQJINFMDYEVHM-IBGZPJMESA-N 0 3 322.412 2.026 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)S1 ZINC000226669819 282370566 /nfs/dbraw/zinc/37/05/66/282370566.db2.gz LEHQAZBNVNUOEV-UMVBOHGHSA-N 0 3 306.431 2.124 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(C#N)c2)[C@]12CCCO2 ZINC000272660207 210065340 /nfs/dbraw/zinc/06/53/40/210065340.db2.gz HSXXZEZPUSJHHV-KZNAEPCWSA-N 0 3 316.401 2.383 20 30 DEEDHN C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nnc(C3CC3)[n-]2)C1 ZINC001353688663 1151846453 /nfs/dbraw/zinc/84/64/53/1151846453.db2.gz OUXUCAKYNXRCOP-UONOGXRCSA-N 0 3 317.437 2.072 20 30 DEEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCCSCC#N ZINC000072518015 191186103 /nfs/dbraw/zinc/18/61/03/191186103.db2.gz SMZCOVXIKGKCLS-LBPRGKRZSA-N 0 3 301.456 2.478 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(F)c(COC)c2)[C@H]1C ZINC001088847784 781929801 /nfs/dbraw/zinc/92/98/01/781929801.db2.gz MJQBVKZIQCBLFR-DYVFJYSZSA-N 0 3 318.392 2.188 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCc2cccn2C)CC1 ZINC000173198644 198194292 /nfs/dbraw/zinc/19/42/92/198194292.db2.gz RARHMAGHSVSTID-HNNXBMFYSA-N 0 3 318.465 2.296 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@@H]2CC(C)C)CC1 ZINC000073059395 191274028 /nfs/dbraw/zinc/27/40/28/191274028.db2.gz WOIQJZTULKHHOU-KRWDZBQOSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000024673589 354066762 /nfs/dbraw/zinc/06/67/62/354066762.db2.gz HSSJIMNUXRCJMW-CQSZACIVSA-N 0 3 315.417 2.299 20 30 DEEDHN N#Cc1ccc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000026758452 354085751 /nfs/dbraw/zinc/08/57/51/354085751.db2.gz WKZQDQNMJBVWDM-UHFFFAOYSA-N 0 3 309.329 2.188 20 30 DEEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000043841732 354227382 /nfs/dbraw/zinc/22/73/82/354227382.db2.gz WZWBKQHMXZPCFF-CQSZACIVSA-N 0 3 314.433 2.430 20 30 DEEDHN CS[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000048238870 354346390 /nfs/dbraw/zinc/34/63/90/354346390.db2.gz BSUCEIUYFUWEJF-CYBMUJFWSA-N 0 3 305.447 2.200 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(OCCC)cc2)CC1 ZINC000057174256 354559962 /nfs/dbraw/zinc/55/99/62/354559962.db2.gz KAMMADOROGZCGZ-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000057175754 354560126 /nfs/dbraw/zinc/56/01/26/354560126.db2.gz DYEZRJLWDPLOTO-CYBMUJFWSA-N 0 3 315.373 2.117 20 30 DEEDHN CN1CCN(Cc2ccc(CNc3ncccc3C#N)cc2)CC1 ZINC000060741765 354620332 /nfs/dbraw/zinc/62/03/32/354620332.db2.gz JIEDPNMRMSKXNK-UHFFFAOYSA-N 0 3 321.428 2.313 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-c2noc(C)n2)CC1 ZINC000067209260 354752955 /nfs/dbraw/zinc/75/29/55/354752955.db2.gz YQMYYFVOGHNFIK-UHFFFAOYSA-N 0 3 324.384 2.329 20 30 DEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nccnc1C#N ZINC000078674886 355274249 /nfs/dbraw/zinc/27/42/49/355274249.db2.gz YZMWHVHUHMBJDN-MRXNPFEDSA-N 0 3 307.401 2.307 20 30 DEEDHN Cn1nccc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000080201521 355352348 /nfs/dbraw/zinc/35/23/48/355352348.db2.gz SRVAKOBCQMFHME-AWEZNQCLSA-N 0 3 313.380 2.189 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000083027250 355461333 /nfs/dbraw/zinc/46/13/33/355461333.db2.gz MAVBFBPWYROAES-GJZGRUSLSA-N 0 3 315.417 2.177 20 30 DEEDHN N#Cc1ccc(OCCCN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083443938 355467216 /nfs/dbraw/zinc/46/72/16/355467216.db2.gz ZYKWJMGELZQINX-UHFFFAOYSA-N 0 3 311.389 2.325 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)cc1F ZINC000120526653 355792021 /nfs/dbraw/zinc/79/20/21/355792021.db2.gz PCKWNCDWZFSXPY-WBMJQRKESA-N 0 3 318.396 2.179 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000180895918 356064776 /nfs/dbraw/zinc/06/47/76/356064776.db2.gz MFFINLXDDCTOBP-IAGOWNOFSA-N 0 3 324.513 2.304 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000182542926 356131594 /nfs/dbraw/zinc/13/15/94/356131594.db2.gz WUTRTILXYHHWOT-ZBFHGGJFSA-N 0 3 300.406 2.282 20 30 DEEDHN Cc1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000279327569 356360791 /nfs/dbraw/zinc/36/07/91/356360791.db2.gz GMTXFUBQJOJJLH-KRWDZBQOSA-N 0 3 318.380 2.303 20 30 DEEDHN COCC1(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CCC1 ZINC000292261739 356383343 /nfs/dbraw/zinc/38/33/43/356383343.db2.gz RMIRTLOTSTUJQB-HNNXBMFYSA-N 0 3 301.390 2.223 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc(F)cc2)cc1 ZINC000315106313 356422426 /nfs/dbraw/zinc/42/24/26/356422426.db2.gz PEPDDLBESNLFMO-MRXNPFEDSA-N 0 3 300.333 2.227 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1C#N)COCC2 ZINC000578516856 356830309 /nfs/dbraw/zinc/83/03/09/356830309.db2.gz BXVBUOXXEZVTNR-CZUORRHYSA-N 0 3 312.417 2.089 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1C#N)COCC2 ZINC000578516855 356830352 /nfs/dbraw/zinc/83/03/52/356830352.db2.gz BXVBUOXXEZVTNR-CJNGLKHVSA-N 0 3 312.417 2.089 20 30 DEEDHN C[C@@H](CNC(=O)Nc1cccc(C#N)n1)N1CCC[C@H](C)C1 ZINC000579830154 357038013 /nfs/dbraw/zinc/03/80/13/357038013.db2.gz NISLXPWMIMBDQQ-STQMWFEESA-N 0 3 301.394 2.195 20 30 DEEDHN CCCC(=O)Nc1cccc(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000579702117 357017209 /nfs/dbraw/zinc/01/72/09/357017209.db2.gz ZVHISBFWMIBSKH-OAHLLOKOSA-N 0 3 316.405 2.063 20 30 DEEDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584847691 357320853 /nfs/dbraw/zinc/32/08/53/357320853.db2.gz VNAAEYXFRCFMCJ-CUOATXAZSA-N 0 3 321.808 2.288 20 30 DEEDHN Clc1cccc(C#CCN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000178463522 198872317 /nfs/dbraw/zinc/87/23/17/198872317.db2.gz RXVBGYWYIDXWAF-KRWDZBQOSA-N 0 3 318.848 2.346 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(C(=O)CCCCCC#N)C2)CC1 ZINC000588646695 357414423 /nfs/dbraw/zinc/41/44/23/357414423.db2.gz COYIKJNPLPXHIZ-KRWDZBQOSA-N 0 3 320.481 2.087 20 30 DEEDHN C[C@H](NC(=O)c1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000589488994 357474301 /nfs/dbraw/zinc/47/43/01/357474301.db2.gz WMOVKIHFFMJQGD-SUMWQHHRSA-N 0 3 308.385 2.374 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)c1cccc(C#N)n1)c1ccco1 ZINC000589521175 357477714 /nfs/dbraw/zinc/47/77/14/357477714.db2.gz KMGZMQZZJNUSHR-WFASDCNBSA-N 0 3 312.373 2.405 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310952 357705135 /nfs/dbraw/zinc/70/51/35/357705135.db2.gz UAVXDACAKUFETE-UHFFFAOYSA-N 0 3 321.384 2.263 20 30 DEEDHN CN(C)[C@@H](CC(=O)N[C@]1(C#N)CCSC1)c1ccccc1 ZINC000591317514 357705790 /nfs/dbraw/zinc/70/57/90/357705790.db2.gz VNQALXBRHVUINZ-HOCLYGCPSA-N 0 3 303.431 2.195 20 30 DEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cc2cccc(F)c2o1 ZINC000591763502 357757438 /nfs/dbraw/zinc/75/74/38/357757438.db2.gz OZSXBQGEJKBVED-OCCSQVGLSA-N 0 3 319.380 2.429 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000592126865 357836516 /nfs/dbraw/zinc/83/65/16/357836516.db2.gz ROBOLUYMWRQUQQ-VIFPVBQESA-N 0 3 307.404 2.226 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000179229203 199002123 /nfs/dbraw/zinc/00/21/23/199002123.db2.gz DBGUBCGIHOCMQN-GFCCVEGCSA-N 0 3 304.438 2.287 20 30 DEEDHN Cc1cc(C)n(-c2ccc(CN3CC[C@@](O)(CC#N)C3)cc2)n1 ZINC000592149493 357841236 /nfs/dbraw/zinc/84/12/36/357841236.db2.gz PYKMEKRMXIYRPG-SFHVURJKSA-N 0 3 310.401 2.340 20 30 DEEDHN CCN(CCSC)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000592198074 357850259 /nfs/dbraw/zinc/85/02/59/357850259.db2.gz IEHGHFRYBDCTHP-OAHLLOKOSA-N 0 3 308.447 2.177 20 30 DEEDHN COC(=O)c1cccc(CN(C)CCN2CCCCC2)c1C#N ZINC000593112983 358012978 /nfs/dbraw/zinc/01/29/78/358012978.db2.gz ULMNIEANQVMUSC-UHFFFAOYSA-N 0 3 315.417 2.263 20 30 DEEDHN C#CCOc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000179914159 199093848 /nfs/dbraw/zinc/09/38/48/199093848.db2.gz HFDXUJUDOWCXDE-UHFFFAOYSA-N 0 3 312.413 2.189 20 30 DEEDHN C[C@@]1(NC(=O)NCCCC#N)CCN(Cc2ccccc2)C1 ZINC000593391546 358067174 /nfs/dbraw/zinc/06/71/74/358067174.db2.gz NBXATWZOMBNRAL-QGZVFWFLSA-N 0 3 300.406 2.254 20 30 DEEDHN Cn1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cn1 ZINC000593687596 358123226 /nfs/dbraw/zinc/12/32/26/358123226.db2.gz JXNWWYMRKOAKAU-UHFFFAOYSA-N 0 3 309.417 2.046 20 30 DEEDHN CCC(C#N)C(=O)N(CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000593754663 358138174 /nfs/dbraw/zinc/13/81/74/358138174.db2.gz XXODNUVPZFEAJA-CYBMUJFWSA-N 0 3 324.421 2.276 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)N(C)CCN2CCCCC2)c1 ZINC000593884568 358165001 /nfs/dbraw/zinc/16/50/01/358165001.db2.gz ZRXPKUBTVSOFHG-UHFFFAOYSA-N 0 3 314.433 2.182 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000594270332 358236430 /nfs/dbraw/zinc/23/64/30/358236430.db2.gz AHAMFTPEUZWIJX-CRAIPNDOSA-N 0 3 311.429 2.434 20 30 DEEDHN CC1(C#N)CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000594283949 358238914 /nfs/dbraw/zinc/23/89/14/358238914.db2.gz OYXXNBPPGFKWAI-GJZGRUSLSA-N 0 3 304.438 2.339 20 30 DEEDHN COc1ccc2c(c1)CCCN(C(=O)[C@H](N)CCCCC#N)C2 ZINC000594434291 358269530 /nfs/dbraw/zinc/26/95/30/358269530.db2.gz MLYHZDRVNPIGNO-QGZVFWFLSA-N 0 3 315.417 2.381 20 30 DEEDHN C=CCCSCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000594718779 358324864 /nfs/dbraw/zinc/32/48/64/358324864.db2.gz UAMUWDRXXZIRNS-UHFFFAOYSA-N 0 3 317.451 2.498 20 30 DEEDHN COc1cc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)ccc1C#N ZINC000594965053 358370056 /nfs/dbraw/zinc/37/00/56/358370056.db2.gz HUGBRHGIYXWXJN-WIEQDCTASA-N 0 3 306.431 2.346 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000595808152 358553158 /nfs/dbraw/zinc/55/31/58/358553158.db2.gz UAHFLHLOSBJQIW-WBVHZDCISA-N 0 3 312.417 2.329 20 30 DEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1cccc(C#N)c1F ZINC000595897283 358574714 /nfs/dbraw/zinc/57/47/14/358574714.db2.gz DEMVCCSJWYSFBB-PSHZPRKYSA-N 0 3 302.349 2.375 20 30 DEEDHN Cc1ccccc1CN1CCCN(c2c(C#N)cnn2C)CC1 ZINC000596078726 358605224 /nfs/dbraw/zinc/60/52/24/358605224.db2.gz YFUXOKYJABPWRJ-UHFFFAOYSA-N 0 3 309.417 2.313 20 30 DEEDHN Cn1ncc(C#N)c1NCC1(N2CCSCC2)CCCCC1 ZINC000596122676 358616181 /nfs/dbraw/zinc/61/61/81/358616181.db2.gz AOUAOVLSKPEZMS-UHFFFAOYSA-N 0 3 319.478 2.455 20 30 DEEDHN C[C@@H]1CCN(c2c(C#N)cnn2C)CCN1Cc1ccccc1 ZINC000596145403 358622246 /nfs/dbraw/zinc/62/22/46/358622246.db2.gz SNTREBQQLOJYLZ-OAHLLOKOSA-N 0 3 309.417 2.393 20 30 DEEDHN C#CCSCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181099045 199252832 /nfs/dbraw/zinc/25/28/32/199252832.db2.gz YUYGKFNRRRGTMB-NSHDSACASA-N 0 3 315.435 2.246 20 30 DEEDHN Cn1ncc(C#N)c1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000596281446 358658694 /nfs/dbraw/zinc/65/86/94/358658694.db2.gz QUWHVBGKMZMUKS-DOTOQJQBSA-N 0 3 307.401 2.002 20 30 DEEDHN C=CCCSCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000596717285 358746065 /nfs/dbraw/zinc/74/60/65/358746065.db2.gz LGGYFUVNDCVDPV-HUUCEWRRSA-N 0 3 311.495 2.421 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000597168940 358842489 /nfs/dbraw/zinc/84/24/89/358842489.db2.gz REVYDJIKMCLWBH-UHFFFAOYSA-N 0 3 322.449 2.265 20 30 DEEDHN COc1cnccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000597610998 358962922 /nfs/dbraw/zinc/96/29/22/358962922.db2.gz OBYNLPXZFURQTB-HNNXBMFYSA-N 0 3 309.369 2.479 20 30 DEEDHN Cc1noc(C)c1CO[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598606053 359259466 /nfs/dbraw/zinc/25/94/66/359259466.db2.gz YPIQAYBYJYLEIT-LSDHHAIUSA-N 0 3 321.421 2.183 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)CC(C)(C)C#N ZINC000598585601 359250348 /nfs/dbraw/zinc/25/03/48/359250348.db2.gz GWACCZSXIZDMAF-AJNGGQMLSA-N 0 3 308.422 2.093 20 30 DEEDHN COc1ccc2c(c1)CCN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598598493 359256493 /nfs/dbraw/zinc/25/64/93/359256493.db2.gz GESTUEUGGSLAQA-INIZCTEOSA-N 0 3 302.418 2.397 20 30 DEEDHN C[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000598622613 359264696 /nfs/dbraw/zinc/26/46/96/359264696.db2.gz RKHMXPVLZYWJSP-WMZOPIPTSA-N 0 3 315.461 2.493 20 30 DEEDHN N#Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)o1 ZINC000428124590 237087290 /nfs/dbraw/zinc/08/72/90/237087290.db2.gz GQMBPOFJONYYBA-UHFFFAOYSA-N 0 3 309.369 2.329 20 30 DEEDHN CC[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1C[C@@H](C)O ZINC000186970151 200040522 /nfs/dbraw/zinc/04/05/22/200040522.db2.gz AOPINTJQABVMHP-CXAGYDPISA-N 0 3 321.852 2.489 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000237516831 202268000 /nfs/dbraw/zinc/26/80/00/202268000.db2.gz HXBWAJRDHGREGT-KRWDZBQOSA-N 0 3 301.390 2.073 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(C3CC3)cnn2C)CC1 ZINC000668369858 540655685 /nfs/dbraw/zinc/65/56/85/540655685.db2.gz HCWYLEOOJPWHEI-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN Cc1nocc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000600999781 359888968 /nfs/dbraw/zinc/88/89/68/359888968.db2.gz GQUFSJWUAQTNET-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000668541111 540682147 /nfs/dbraw/zinc/68/21/47/540682147.db2.gz DFSNTXLIWPWLAV-DOTOQJQBSA-N 0 3 300.402 2.352 20 30 DEEDHN Cc1cccc(CN2CC[C@H](NC(=O)c3ccc(C#N)n3C)C2)c1 ZINC000601850700 360174682 /nfs/dbraw/zinc/17/46/82/360174682.db2.gz FCBOKAXQNKESAA-INIZCTEOSA-N 0 3 322.412 2.210 20 30 DEEDHN CC1(C)CN(C[C@H](O)COc2ccccc2C#N)[C@H]1C1CC1 ZINC000601956135 360208973 /nfs/dbraw/zinc/20/89/73/360208973.db2.gz FBCDAPZSIVLWHK-RDJZCZTQSA-N 0 3 300.402 2.418 20 30 DEEDHN C[C@H](CCC#N)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602471623 360389816 /nfs/dbraw/zinc/38/98/16/360389816.db2.gz FISLIUIGRJVHGN-CHWSQXEVSA-N 0 3 303.366 2.416 20 30 DEEDHN CN(C)CCOc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602515999 360413997 /nfs/dbraw/zinc/41/39/97/360413997.db2.gz FWVVCGPWEHEIGD-UHFFFAOYSA-N 0 3 310.401 2.183 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000602633251 360467917 /nfs/dbraw/zinc/46/79/17/360467917.db2.gz XJZFSAALFIFBBL-YOEHRIQHSA-N 0 3 320.408 2.418 20 30 DEEDHN C[C@H]1OCC[C@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000602759193 360538776 /nfs/dbraw/zinc/53/87/76/360538776.db2.gz QASNNZSRLPKYKW-KGLIPLIRSA-N 0 3 303.381 2.244 20 30 DEEDHN C[C@@H]1OCC[C@@H]1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000602802790 360561588 /nfs/dbraw/zinc/56/15/88/360561588.db2.gz UYCBQVLBPMRIHV-YXJHDRRASA-N 0 3 317.408 2.433 20 30 DEEDHN N#CCC1(CN2CCC(C(=O)NCC(F)(F)F)CC2)CC1 ZINC000602766056 360542224 /nfs/dbraw/zinc/54/22/24/360542224.db2.gz KUURFBOMBKIOPU-UHFFFAOYSA-N 0 3 303.328 2.071 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@H]3CC[C@H](C#N)C3)cn2)CCO1 ZINC000442710521 238065695 /nfs/dbraw/zinc/06/56/95/238065695.db2.gz QBEKXTKSSWCRDH-YCPHGPKFSA-N 0 3 300.406 2.089 20 30 DEEDHN Cc1[nH]ncc1CN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000602941271 360635361 /nfs/dbraw/zinc/63/53/61/360635361.db2.gz IZRQETODYNEJSP-UHFFFAOYSA-N 0 3 308.345 2.272 20 30 DEEDHN N#Cc1c(N)c([N+](=O)[O-])ccc1N1CCN(C2CCCC2)CC1 ZINC000603271246 360772565 /nfs/dbraw/zinc/77/25/65/360772565.db2.gz LISBBFNHWRICEQ-UHFFFAOYSA-N 0 3 315.377 2.113 20 30 DEEDHN CC(C)(C)N1CCCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC000603281642 360775967 /nfs/dbraw/zinc/77/59/67/360775967.db2.gz LHCIHCPASXGMSM-UHFFFAOYSA-N 0 3 317.393 2.359 20 30 DEEDHN C[C@@H](NC(=O)NCC1CCC(C#N)CC1)C1=CCN(C)CC1 ZINC000331315273 296030739 /nfs/dbraw/zinc/03/07/39/296030739.db2.gz XLYDSRNXIPVXKN-WLYUNCDWSA-N 0 3 304.438 2.470 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)C#N)cc2)CC1 ZINC000609523714 361318216 /nfs/dbraw/zinc/31/82/16/361318216.db2.gz KXLBDWZMJXJWHU-OAHLLOKOSA-N 0 3 314.433 2.106 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CCO)C1 ZINC000610140390 361363410 /nfs/dbraw/zinc/36/34/10/361363410.db2.gz JPSOWFIBKMQLIN-AWEZNQCLSA-N 0 3 304.390 2.040 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000611204959 361547309 /nfs/dbraw/zinc/54/73/09/361547309.db2.gz CIMAYOVFUDFJOM-HUUCEWRRSA-N 0 3 307.438 2.076 20 30 DEEDHN C=CCOCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000673561219 541121857 /nfs/dbraw/zinc/12/18/57/541121857.db2.gz IQILVQMPIKPSJF-OAHLLOKOSA-N 0 3 305.422 2.009 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000611634724 361649939 /nfs/dbraw/zinc/64/99/39/361649939.db2.gz QSCVKLCUINNNHY-ZBFHGGJFSA-N 0 3 300.406 2.062 20 30 DEEDHN C=CCOc1ccccc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000622404892 364746233 /nfs/dbraw/zinc/74/62/33/364746233.db2.gz UVYJIXIBCILMSL-UHFFFAOYSA-N 0 3 314.389 2.262 20 30 DEEDHN C=CCOc1c(Cl)cc(CNC[C@@H](O)COC)cc1OC ZINC000623516184 365058421 /nfs/dbraw/zinc/05/84/21/365058421.db2.gz FZMOLNZTPBNBLQ-GFCCVEGCSA-N 0 3 315.797 2.010 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(C)Cc3ccccc3C2)CC1 ZINC000091801917 193110251 /nfs/dbraw/zinc/11/02/51/193110251.db2.gz BKMZRNDQXKSEIY-UHFFFAOYSA-N 0 3 310.441 2.253 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451494048 243030088 /nfs/dbraw/zinc/03/00/88/243030088.db2.gz HTRRHOQDCHOUNQ-RBSFLKMASA-N 0 3 309.454 2.176 20 30 DEEDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000451603128 243187839 /nfs/dbraw/zinc/18/78/39/243187839.db2.gz WOLHBPCJWVCHEC-WMZOPIPTSA-N 0 3 317.433 2.375 20 30 DEEDHN C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000452171303 244008375 /nfs/dbraw/zinc/00/83/75/244008375.db2.gz PZMYCEZDPDWJKL-HNNXBMFYSA-N 0 3 311.429 2.434 20 30 DEEDHN C=C(C)CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000275018642 212075943 /nfs/dbraw/zinc/07/59/43/212075943.db2.gz LXCCFYSGODPSDK-UHFFFAOYSA-N 0 3 317.433 2.019 20 30 DEEDHN CNC(=O)[C@H](C)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000093898996 193325503 /nfs/dbraw/zinc/32/55/03/193325503.db2.gz SQIYGTNKNOYDNW-CQSZACIVSA-N 0 3 303.406 2.183 20 30 DEEDHN C=CC[C@H](C)[C@H](C)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000453277436 245052487 /nfs/dbraw/zinc/05/24/87/245052487.db2.gz JLYNVBQHLALYSX-RXSFTSLZSA-N 0 3 315.479 2.363 20 30 DEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453365317 245091355 /nfs/dbraw/zinc/09/13/55/245091355.db2.gz RMRNUUKLPAEFLZ-AAEUAGOBSA-N 0 3 315.410 2.207 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453412524 245121110 /nfs/dbraw/zinc/12/11/10/245121110.db2.gz IFVUQHWQTFTHIB-HUUCEWRRSA-N 0 3 319.453 2.235 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN1CC[C@H](N2CCCCC2)C1 ZINC000264583454 204010067 /nfs/dbraw/zinc/01/00/67/204010067.db2.gz KDZKHFAPNUJBJS-AWEZNQCLSA-N 0 3 318.446 2.118 20 30 DEEDHN C[C@H](Cn1cccn1)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000265079380 204383562 /nfs/dbraw/zinc/38/35/62/204383562.db2.gz PWNHNXYGVLIZHN-LLVKDONJSA-N 0 3 317.780 2.025 20 30 DEEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000266021968 205033977 /nfs/dbraw/zinc/03/39/77/205033977.db2.gz RFZOXDWYSIWRGV-SRMUXQRQSA-N 0 3 313.401 2.288 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc(C)[nH]n1)C(C)C ZINC000267999707 206386842 /nfs/dbraw/zinc/38/68/42/206386842.db2.gz VLZXINQPEJXQDG-MRXNPFEDSA-N 0 3 304.438 2.075 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc(C)n[nH]1)C(C)C ZINC000267999707 206386846 /nfs/dbraw/zinc/38/68/46/206386846.db2.gz VLZXINQPEJXQDG-MRXNPFEDSA-N 0 3 304.438 2.075 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC1(CO)CCSCC1 ZINC000458073438 248135851 /nfs/dbraw/zinc/13/58/51/248135851.db2.gz IADNMYXVMOBAPT-HNNXBMFYSA-N 0 3 318.442 2.133 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(OC)CC2)CC1 ZINC000458312249 248259737 /nfs/dbraw/zinc/25/97/37/248259737.db2.gz BBOUHUSYSIIKJN-UHFFFAOYSA-N 0 3 309.454 2.284 20 30 DEEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492931787 249176365 /nfs/dbraw/zinc/17/63/65/249176365.db2.gz RBZDCDWTFSIBHK-CHWSQXEVSA-N 0 3 309.410 2.394 20 30 DEEDHN CC(C)CN1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000041894495 183224503 /nfs/dbraw/zinc/22/45/03/183224503.db2.gz HCWADBVJXYYGPW-UHFFFAOYSA-N 0 3 314.433 2.160 20 30 DEEDHN CCOC(=O)[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000043117178 183338885 /nfs/dbraw/zinc/33/88/85/183338885.db2.gz BHUZMSXOARRAQE-OAHLLOKOSA-N 0 3 302.374 2.212 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2ccccc2F)cc1 ZINC000320184505 291704350 /nfs/dbraw/zinc/70/43/50/291704350.db2.gz OMODTOYBLGKHGG-QGZVFWFLSA-N 0 3 314.360 2.365 20 30 DEEDHN C[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)N(C)C1CC1 ZINC000105267654 194090726 /nfs/dbraw/zinc/09/07/26/194090726.db2.gz JMBBIEOPBYLWSM-ZDUSSCGKSA-N 0 3 300.406 2.182 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCS(=O)(=O)C1 ZINC000552922702 291728944 /nfs/dbraw/zinc/72/89/44/291728944.db2.gz OVFYUDQGQAWQQW-HOCLYGCPSA-N 0 3 304.415 2.102 20 30 DEEDHN CCOC1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000058106987 184075455 /nfs/dbraw/zinc/07/54/55/184075455.db2.gz FEIPWVKTADKFQD-UHFFFAOYSA-N 0 3 301.390 2.388 20 30 DEEDHN COCCN1CC[C@@H](NC(=O)NCC2CCC(F)(F)CC2)C1 ZINC000330382983 532973232 /nfs/dbraw/zinc/97/32/32/532973232.db2.gz JKBQSMDVDAIBAY-CYBMUJFWSA-N 0 3 319.396 2.036 20 30 DEEDHN Cc1c(CNC2CCN(c3ccc(C#N)cc3)CC2)cnn1C ZINC000270203876 208269360 /nfs/dbraw/zinc/26/93/60/208269360.db2.gz JZSDBDXRABIYEF-UHFFFAOYSA-N 0 3 309.417 2.359 20 30 DEEDHN CN1C[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000539801993 285091938 /nfs/dbraw/zinc/09/19/38/285091938.db2.gz FHHLPPLNNUYMFR-RTBURBONSA-N 0 3 319.408 2.315 20 30 DEEDHN CCN1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000158200755 197252215 /nfs/dbraw/zinc/25/22/15/197252215.db2.gz JFODCSCJDZPQIM-UHFFFAOYSA-N 0 3 320.824 2.178 20 30 DEEDHN COCC1(C#N)CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000341999844 533109195 /nfs/dbraw/zinc/10/91/95/533109195.db2.gz YMWFFYVYFJGWRI-UHFFFAOYSA-N 0 3 319.380 2.406 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000427526001 533113632 /nfs/dbraw/zinc/11/36/32/533113632.db2.gz BAKNBIHYDLMKKG-WDEREUQCSA-N 0 3 314.307 2.132 20 30 DEEDHN CC(=O)N1CC[C@@H](CN(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000156749294 197138023 /nfs/dbraw/zinc/13/80/23/197138023.db2.gz PYXYLZJNYDYWEV-INIZCTEOSA-N 0 3 304.821 2.492 20 30 DEEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000289518145 221036089 /nfs/dbraw/zinc/03/60/89/221036089.db2.gz GZHBHCGFXZKIIY-MRXNPFEDSA-N 0 3 315.417 2.448 20 30 DEEDHN COC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000544411165 285348006 /nfs/dbraw/zinc/34/80/06/285348006.db2.gz SIXXUFXVDIBBOC-SMDDNHRTSA-N 0 3 307.394 2.356 20 30 DEEDHN CO[C@]1(C)CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000331827124 533370701 /nfs/dbraw/zinc/37/07/01/533370701.db2.gz CUGCPFMTTCJRDZ-USXIJHARSA-N 0 3 309.454 2.320 20 30 DEEDHN CO[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000281911827 533406846 /nfs/dbraw/zinc/40/68/46/533406846.db2.gz SFGYNZGRUIINEV-RRQGHBQHSA-N 0 3 311.385 2.266 20 30 DEEDHN COc1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1OCCCC#N ZINC000367838137 533574369 /nfs/dbraw/zinc/57/43/69/533574369.db2.gz ARZWXIMEJWMBTD-ZSHCYNCHSA-N 0 3 316.401 2.048 20 30 DEEDHN CCOC(=O)C1(CNCc2ccc(C#N)c(OC)c2)CCC1 ZINC000562525164 291990013 /nfs/dbraw/zinc/99/00/13/291990013.db2.gz GKOWUMHKMMMFMF-UHFFFAOYSA-N 0 3 302.374 2.390 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000684796229 542665664 /nfs/dbraw/zinc/66/56/64/542665664.db2.gz PCBBMLPTHCNDPY-UAGQMJEPSA-N 0 3 321.465 2.284 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000353774308 133000407 /nfs/dbraw/zinc/00/04/07/133000407.db2.gz HEDNBVXHDSNUSC-MLGOLLRUSA-N 0 3 303.381 2.085 20 30 DEEDHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1ccccc1C#N ZINC000355345913 133019701 /nfs/dbraw/zinc/01/97/01/133019701.db2.gz NIQMBBHZQKOABG-KCQAQPDRSA-N 0 3 301.390 2.290 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1cccc(C#N)c1 ZINC000359677754 133138338 /nfs/dbraw/zinc/13/83/38/133138338.db2.gz LEJHBEJRJLGFLL-QGZVFWFLSA-N 0 3 314.433 2.274 20 30 DEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc([S@](C)=O)cc1 ZINC000359704433 133140155 /nfs/dbraw/zinc/14/01/55/133140155.db2.gz FTOCSVQFVHDGJT-GTJPDFRWSA-N 0 3 301.415 2.485 20 30 DEEDHN N#Cc1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000368130721 133261671 /nfs/dbraw/zinc/26/16/71/133261671.db2.gz FPGIPHYWJUEJBI-IRXDYDNUSA-N 0 3 319.412 2.307 20 30 DEEDHN N#Cc1cc(Cl)ccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000376337132 133291278 /nfs/dbraw/zinc/29/12/78/133291278.db2.gz XCVLYKDGQXGJIZ-DLBZAZTESA-N 0 3 319.836 2.243 20 30 DEEDHN Cn1cc(CN2CC([C@H]3CCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000373468015 133391892 /nfs/dbraw/zinc/39/18/92/133391892.db2.gz IJCBUZRVNSHKHW-INIZCTEOSA-N 0 3 322.412 2.427 20 30 DEEDHN C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000564203363 292088291 /nfs/dbraw/zinc/08/82/91/292088291.db2.gz OSRXXLIAVQDTMG-NFAWXSAZSA-N 0 3 321.446 2.141 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000329867968 404476463 /nfs/dbraw/zinc/47/64/63/404476463.db2.gz WUVLDOCADQTPMW-KGLIPLIRSA-N 0 3 320.437 2.103 20 30 DEEDHN N#Cc1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000564878667 292117399 /nfs/dbraw/zinc/11/73/99/292117399.db2.gz IUGOBGBAPJEWPU-DOTOQJQBSA-N 0 3 305.385 2.059 20 30 DEEDHN Cc1ccc(O[C@@H](C)CNCc2cnc3c(C#N)cnn3c2)cc1 ZINC000564987445 292125241 /nfs/dbraw/zinc/12/52/41/292125241.db2.gz WHFNRIBRYCWYQY-AWEZNQCLSA-N 0 3 321.384 2.467 20 30 DEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000565436394 292161972 /nfs/dbraw/zinc/16/19/72/292161972.db2.gz QRVSAAICDVQLBX-DLBZAZTESA-N 0 3 304.365 2.107 20 30 DEEDHN CN1C[C@@H]2CCCN(Cc3nnc(-c4cccc(C#N)c4)o3)[C@@H]2C1 ZINC000565476492 292164728 /nfs/dbraw/zinc/16/47/28/292164728.db2.gz SGWOGMXWGRUCJF-JKSUJKDBSA-N 0 3 323.400 2.134 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000370273744 148001547 /nfs/dbraw/zinc/00/15/47/148001547.db2.gz AICWQKWLWYLSEP-LJQANCHMSA-N 0 3 319.408 2.491 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C#N)cc1 ZINC000374201907 148217358 /nfs/dbraw/zinc/21/73/58/148217358.db2.gz MUVNFQMNFBVAGX-CVEARBPZSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000073257618 401716705 /nfs/dbraw/zinc/71/67/05/401716705.db2.gz URCJSCJWJSAKEG-MRXNPFEDSA-N 0 3 303.406 2.317 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(C#N)CC1)N(C)Cc1ccccc1 ZINC000111505095 401717111 /nfs/dbraw/zinc/71/71/11/401717111.db2.gz KESHBFDYTYYGKP-OAHLLOKOSA-N 0 3 314.433 2.452 20 30 DEEDHN COC[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000112986843 401764423 /nfs/dbraw/zinc/76/44/23/401764423.db2.gz IPKIMRCGRBPELQ-LBPRGKRZSA-N 0 3 307.419 2.307 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2COc3ccccc32)CC1 ZINC000113174167 401769423 /nfs/dbraw/zinc/76/94/23/401769423.db2.gz AUIOLFPUGHMTBG-MRXNPFEDSA-N 0 3 300.402 2.319 20 30 DEEDHN C#CCCOc1ccc(CNCCC(=O)N[C@@H](C)CC)cc1 ZINC000113324330 401776091 /nfs/dbraw/zinc/77/60/91/401776091.db2.gz CUZHJPHZNDIHLT-HNNXBMFYSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnn(C)c1)C(C)C ZINC000076061722 401779816 /nfs/dbraw/zinc/77/98/16/401779816.db2.gz DLMNXUYUXLLJLN-HNNXBMFYSA-N 0 3 305.426 2.240 20 30 DEEDHN N#CC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000115151705 401820186 /nfs/dbraw/zinc/82/01/86/401820186.db2.gz YCUYMHJMCYGQIB-AWEZNQCLSA-N 0 3 301.365 2.210 20 30 DEEDHN N#Cc1ccc(N2CCCN(CCO)CC2)c(C(F)(F)F)c1 ZINC000131562317 401852937 /nfs/dbraw/zinc/85/29/37/401852937.db2.gz MNLRNFHBWZWXLO-UHFFFAOYSA-N 0 3 313.323 2.081 20 30 DEEDHN COc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1C#N ZINC000135168776 401929201 /nfs/dbraw/zinc/92/92/01/401929201.db2.gz HAAQWHQPTWUYGQ-UHFFFAOYSA-N 0 3 323.396 2.444 20 30 DEEDHN C=C(C)COCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000151469816 402037728 /nfs/dbraw/zinc/03/77/28/402037728.db2.gz NHCVECOOZPAZEC-INIZCTEOSA-N 0 3 309.454 2.239 20 30 DEEDHN COc1ccc(CNCCn2ccnc2)cc1OCCCC#N ZINC000064613546 402120330 /nfs/dbraw/zinc/12/03/30/402120330.db2.gz FENODGRKDYUVNB-UHFFFAOYSA-N 0 3 314.389 2.364 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2scnc2C)CC1 ZINC000066704196 402140102 /nfs/dbraw/zinc/14/01/02/402140102.db2.gz HDIMBIKWJCXWHZ-UHFFFAOYSA-N 0 3 308.451 2.243 20 30 DEEDHN CCN(CCNC(=O)/C=C/c1ccc(OCC#N)cc1)C1CC1 ZINC000104409215 402203259 /nfs/dbraw/zinc/20/32/59/402203259.db2.gz WNFYLNULLZKTLH-BJMVGYQFSA-N 0 3 313.401 2.203 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000124758939 402195620 /nfs/dbraw/zinc/19/56/20/402195620.db2.gz LBARNDOQQNYIAP-DOMZBBRYSA-N 0 3 319.405 2.136 20 30 DEEDHN C=CCCC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000102346540 402165493 /nfs/dbraw/zinc/16/54/93/402165493.db2.gz IUCOHNJNLZJOFU-HNNXBMFYSA-N 0 3 315.417 2.289 20 30 DEEDHN C=CCc1cc(CN2CCC3(CC2)OCCO3)cc(OC)c1O ZINC000126085580 402263878 /nfs/dbraw/zinc/26/38/78/402263878.db2.gz FZTOIZVSPVSPCF-UHFFFAOYSA-N 0 3 319.401 2.468 20 30 DEEDHN C=CCN(CC(=O)N(C)Cc1cnn(C)c1)CC1CCCCC1 ZINC000069859959 402247543 /nfs/dbraw/zinc/24/75/43/402247543.db2.gz DVZXUAPIQBCHNY-UHFFFAOYSA-N 0 3 318.465 2.447 20 30 DEEDHN COc1ccc([C@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)cc1 ZINC000155273369 402250821 /nfs/dbraw/zinc/25/08/21/402250821.db2.gz DCNOZFZOIWDXQJ-HOCLYGCPSA-N 0 3 315.417 2.245 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000155380539 402254503 /nfs/dbraw/zinc/25/45/03/402254503.db2.gz MIXJMFCFEDJGBQ-AEFFLSMTSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CCOc1cccc(NC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000108520483 402255759 /nfs/dbraw/zinc/25/57/59/402255759.db2.gz UYXKOPXAZXXVON-UHFFFAOYSA-N 0 3 313.401 2.447 20 30 DEEDHN CCN(CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000108648826 402259136 /nfs/dbraw/zinc/25/91/36/402259136.db2.gz CUCNWLPCCHUXOT-UHFFFAOYSA-N 0 3 302.422 2.384 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)nc2)CC1 ZINC000106261001 402212778 /nfs/dbraw/zinc/21/27/78/402212778.db2.gz JHBOATUPCHTMAN-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN CN(CC(=O)N(CCC#N)c1ccccc1)CC1CCOCC1 ZINC000155940850 402271151 /nfs/dbraw/zinc/27/11/51/402271151.db2.gz CZGKQPBVEIMVMN-UHFFFAOYSA-N 0 3 315.417 2.292 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cncnc3)C2)c(F)c1 ZINC000109351823 402271194 /nfs/dbraw/zinc/27/11/94/402271194.db2.gz ANTKXWDJJPGCQQ-OAHLLOKOSA-N 0 3 311.364 2.246 20 30 DEEDHN C=CCN(CC=C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176622269 402324165 /nfs/dbraw/zinc/32/41/65/402324165.db2.gz OPOVLDXYPOPXEA-UHFFFAOYSA-N 0 3 309.454 2.259 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN1CCCC1 ZINC000184630888 402286075 /nfs/dbraw/zinc/28/60/75/402286075.db2.gz JKDRCFGMRZGUCL-UHFFFAOYSA-N 0 3 304.390 2.086 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2c(CC)noc2CC)CC1 ZINC000176453763 402310676 /nfs/dbraw/zinc/31/06/76/402310676.db2.gz UBRRBCYASRJJOH-UHFFFAOYSA-N 0 3 320.437 2.249 20 30 DEEDHN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185782388 402376648 /nfs/dbraw/zinc/37/66/48/402376648.db2.gz ZODAGJIKYYKCBT-LSDHHAIUSA-N 0 3 321.446 2.109 20 30 DEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(C#N)c[nH]1 ZINC000177763200 402433199 /nfs/dbraw/zinc/43/31/99/402433199.db2.gz MSTGKWPABWBMFH-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@@H](OCC)C2CCCC2)CC1 ZINC000177356407 402394445 /nfs/dbraw/zinc/39/44/45/402394445.db2.gz QZWIQFGBRVXTFI-GOSISDBHSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](N2CCCC2)C1 ZINC000245395541 402455498 /nfs/dbraw/zinc/45/54/98/402455498.db2.gz HXKOVLXAQSESJH-GDBMZVCRSA-N 0 3 312.417 2.055 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C1(CC)CC ZINC000187049999 402480390 /nfs/dbraw/zinc/48/03/90/402480390.db2.gz PRUZNFAXHVPWTC-INMHGKMJSA-N 0 3 321.465 2.368 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](OC)C1 ZINC000246061973 402506668 /nfs/dbraw/zinc/50/66/68/402506668.db2.gz APIOAKMLDIHBES-SJORKVTESA-N 0 3 305.418 2.266 20 30 DEEDHN CN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000171291701 402574908 /nfs/dbraw/zinc/57/49/08/402574908.db2.gz OOCXTCZWLDXLJC-UHFFFAOYSA-N 0 3 312.417 2.326 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000247033149 402554341 /nfs/dbraw/zinc/55/43/41/402554341.db2.gz VBVFASVDAUNOKU-HZPDHXFCSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000190047600 402572718 /nfs/dbraw/zinc/57/27/18/402572718.db2.gz MNQYDHICRMHRGW-GJZGRUSLSA-N 0 3 301.434 2.396 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000179106376 402573314 /nfs/dbraw/zinc/57/33/14/402573314.db2.gz COLOLSXJMIBGGG-SFHVURJKSA-N 0 3 310.401 2.383 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccnc2N2CCCC2)CC1 ZINC000171716896 402613754 /nfs/dbraw/zinc/61/37/54/402613754.db2.gz OANSEJVRSARZLV-UHFFFAOYSA-N 0 3 314.433 2.062 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000171719869 402614413 /nfs/dbraw/zinc/61/44/13/402614413.db2.gz ATZLUPMYAMBATR-UHFFFAOYSA-N 0 3 321.808 2.045 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000171725453 402614822 /nfs/dbraw/zinc/61/48/22/402614822.db2.gz DQCKKCXWUASUAM-UHFFFAOYSA-N 0 3 324.222 2.224 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000171726709 402615145 /nfs/dbraw/zinc/61/51/45/402615145.db2.gz DCUJCABQTHAFBV-UHFFFAOYSA-N 0 3 318.377 2.044 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171728722 402615391 /nfs/dbraw/zinc/61/53/91/402615391.db2.gz INOCTIOEWLQAOE-UHFFFAOYSA-N 0 3 309.391 2.427 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCn3cccc3[C@@H]2C)CC1 ZINC000171740095 402616961 /nfs/dbraw/zinc/61/69/61/402616961.db2.gz HWQUQYWRFUTOOV-AWEZNQCLSA-N 0 3 302.422 2.225 20 30 DEEDHN Cc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1C ZINC000180876012 402628979 /nfs/dbraw/zinc/62/89/79/402628979.db2.gz VMCNYMDDAIALHD-MGPWXQLLSA-N 0 3 313.401 2.480 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000182122072 402667656 /nfs/dbraw/zinc/66/76/56/402667656.db2.gz HTRIZHYPBSFDCA-CQSZACIVSA-N 0 3 311.385 2.261 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCNc2cccc(F)c2)CC1 ZINC000182107007 402667695 /nfs/dbraw/zinc/66/76/95/402667695.db2.gz QBCXKYXTZUYWKK-UHFFFAOYSA-N 0 3 317.408 2.089 20 30 DEEDHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000182269659 402677570 /nfs/dbraw/zinc/67/75/70/402677570.db2.gz MSZCRQQRBNVQRU-HUUCEWRRSA-N 0 3 307.438 2.218 20 30 DEEDHN C#CCSCCNCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000182375609 402684433 /nfs/dbraw/zinc/68/44/33/402684433.db2.gz RSEFVFVWNRUPJD-UHFFFAOYSA-N 0 3 319.426 2.467 20 30 DEEDHN C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)N1CCC[C@@H](C)C1 ZINC000173341689 402693403 /nfs/dbraw/zinc/69/34/03/402693403.db2.gz CSPMXCHVELCURL-KGLIPLIRSA-N 0 3 318.425 2.039 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COC(C)(C)C ZINC000182496389 402694607 /nfs/dbraw/zinc/69/46/07/402694607.db2.gz LGBTXHNKBIPUJE-UHFFFAOYSA-N 0 3 317.433 2.264 20 30 DEEDHN COc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1C#N ZINC000174263114 402734279 /nfs/dbraw/zinc/73/42/79/402734279.db2.gz YGCRGIOONNMPJQ-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](COC)c2ccc(C)o2)CC1 ZINC000175477300 402810105 /nfs/dbraw/zinc/81/01/05/402810105.db2.gz MIRICWXOHMMDTE-OAHLLOKOSA-N 0 3 321.421 2.225 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCN1C ZINC000194691016 402810487 /nfs/dbraw/zinc/81/04/87/402810487.db2.gz MGNRMWWTWUZLFJ-NVXWUHKLSA-N 0 3 315.417 2.172 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-n2nccc2C)CC1 ZINC000184324444 402835511 /nfs/dbraw/zinc/83/55/11/402835511.db2.gz FLZYDCAEHPCPRI-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN O=C(NCCN[C@@H]1CCCc2sccc21)C1N=CC=CC1=O ZINC000271434064 402870896 /nfs/dbraw/zinc/87/08/96/402870896.db2.gz FGWJFTDJZXYELG-KXEGMRRWSA-N 0 3 317.414 2.242 20 30 DEEDHN C=CCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)C1CC1 ZINC000271449649 402872190 /nfs/dbraw/zinc/87/21/90/402872190.db2.gz NXHXPYRQYXAVHF-INIZCTEOSA-N 0 3 304.390 2.035 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2ccccc2)CC1 ZINC000264409679 402875619 /nfs/dbraw/zinc/87/56/19/402875619.db2.gz QRMFPJNQJPHQNI-QGZVFWFLSA-N 0 3 317.433 2.060 20 30 DEEDHN N#Cc1ccc(OCC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264463941 402881021 /nfs/dbraw/zinc/88/10/21/402881021.db2.gz FEGMMGNFASCTCW-MRXNPFEDSA-N 0 3 313.401 2.024 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000278891809 402882634 /nfs/dbraw/zinc/88/26/34/402882634.db2.gz DURLKXGRJNDQNU-OAHLLOKOSA-N 0 3 324.384 2.427 20 30 DEEDHN CN(CCCCCO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000278896132 402883397 /nfs/dbraw/zinc/88/33/97/402883397.db2.gz ORUXMCLNDOAJDW-QGZVFWFLSA-N 0 3 315.417 2.148 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC1 ZINC000265729342 402943920 /nfs/dbraw/zinc/94/39/20/402943920.db2.gz BCSQWZNNWFEGKK-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN C=CCC[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000273074478 402968948 /nfs/dbraw/zinc/96/89/48/402968948.db2.gz GBEMTHZQZAQSNR-ZIAGYGMSSA-N 0 3 314.223 2.399 20 30 DEEDHN C#CCOc1ccccc1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000265909272 402961344 /nfs/dbraw/zinc/96/13/44/402961344.db2.gz XDNOZVMWHJXLNP-HOTGVXAUSA-N 0 3 321.442 2.144 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC2(CCOCC2)C1 ZINC000266016007 402965799 /nfs/dbraw/zinc/96/57/99/402965799.db2.gz NHQFTSWLTPQRJT-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCCc2ccc(O)cc2)CC1 ZINC000265449350 402919949 /nfs/dbraw/zinc/91/99/49/402919949.db2.gz MPSWFLNLZRCJNG-UHFFFAOYSA-N 0 3 317.433 2.274 20 30 DEEDHN CN(CCOCC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280105128 402967647 /nfs/dbraw/zinc/96/76/47/402967647.db2.gz PHDNSJZOKAERHY-KRWDZBQOSA-N 0 3 311.385 2.126 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000279262688 402923908 /nfs/dbraw/zinc/92/39/08/402923908.db2.gz UELIYMUAWXNDGK-KRWDZBQOSA-N 0 3 308.397 2.043 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2ncc[nH]2)CC1 ZINC000266749969 402988322 /nfs/dbraw/zinc/98/83/22/402988322.db2.gz NRZQEOOAFIKMAG-CQSZACIVSA-N 0 3 302.422 2.178 20 30 DEEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCCC#N ZINC000273307955 402992641 /nfs/dbraw/zinc/99/26/41/402992641.db2.gz VGZGTSTTZDVSJL-UHFFFAOYSA-N 0 3 302.422 2.500 20 30 DEEDHN C=CCN(CC=C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000266874863 402996258 /nfs/dbraw/zinc/99/62/58/402996258.db2.gz QUIZYFJGGZABFU-UHFFFAOYSA-N 0 3 313.445 2.469 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(C2)CCOCC3)cc1 ZINC000280557263 403012671 /nfs/dbraw/zinc/01/26/71/403012671.db2.gz UTVWXFQKAVNJHG-KRWDZBQOSA-N 0 3 323.396 2.270 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2ccc(C#N)cc2)CCSC1 ZINC000267121683 403017380 /nfs/dbraw/zinc/01/73/80/403017380.db2.gz AWTUJQASNFKKCB-HNNXBMFYSA-N 0 3 304.419 2.117 20 30 DEEDHN CN(CCc1nccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280241837 402978674 /nfs/dbraw/zinc/97/86/74/402978674.db2.gz WSYCBLZKWLGZLF-OAHLLOKOSA-N 0 3 324.409 2.398 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000281790204 403091729 /nfs/dbraw/zinc/09/17/29/403091729.db2.gz ULJDQGMJVLQLBZ-VQTJNVASSA-N 0 3 322.408 2.405 20 30 DEEDHN CN(CCN(C)C1CC1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000274447477 403056377 /nfs/dbraw/zinc/05/63/77/403056377.db2.gz DKZOVWIRFHJUPW-UHFFFAOYSA-N 0 3 323.444 2.485 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCCO1 ZINC000281047863 403057675 /nfs/dbraw/zinc/05/76/75/403057675.db2.gz GDVZUCUKWSOLCU-IAGOWNOFSA-N 0 3 311.385 2.268 20 30 DEEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)C[C@@](C)(O)CC)C1=O ZINC000281399149 403067622 /nfs/dbraw/zinc/06/76/22/403067622.db2.gz QHKSWFMNLQUVQA-MJGOQNOKSA-N 0 3 316.445 2.437 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000281457736 403068940 /nfs/dbraw/zinc/06/89/40/403068940.db2.gz OXIZZLCFNMQYHQ-IRXDYDNUSA-N 0 3 302.418 2.459 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncccc1C#N ZINC000268287397 403070428 /nfs/dbraw/zinc/07/04/28/403070428.db2.gz CQGGZHZCVDDFCE-UHFFFAOYSA-N 0 3 305.385 2.393 20 30 DEEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(C)CCC#N)C12CCCCC2 ZINC000348440340 286290888 /nfs/dbraw/zinc/29/08/88/286290888.db2.gz IXHMOEQQFGAACQ-BZUAXINKSA-N 0 3 321.465 2.464 20 30 DEEDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000269288402 403128527 /nfs/dbraw/zinc/12/85/27/403128527.db2.gz SISVNLAHTNHOMU-DLBZAZTESA-N 0 3 310.401 2.237 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000269409979 403137453 /nfs/dbraw/zinc/13/74/53/403137453.db2.gz IWTNGOXFNWWRRK-UKRRQHHQSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCOc1cccc(CN(C)CCOCCOCCOC)c1 ZINC000276242601 403156965 /nfs/dbraw/zinc/15/69/65/403156965.db2.gz UCDWSUDKWTWADW-UHFFFAOYSA-N 0 3 323.433 2.363 20 30 DEEDHN Cc1nccn1CCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000270672794 403211105 /nfs/dbraw/zinc/21/11/05/403211105.db2.gz SMSRWRHTDMVFIG-UHFFFAOYSA-N 0 3 323.444 2.271 20 30 DEEDHN C=CCN(CCC(=O)N(C)CCC#N)Cc1ccc(OC)cc1 ZINC000270698817 403214417 /nfs/dbraw/zinc/21/44/17/403214417.db2.gz ZQUNESFNSXHOCS-UHFFFAOYSA-N 0 3 315.417 2.445 20 30 DEEDHN C=CCCN(C)CC(=O)N(CC)Cc1ccc2c(c1)OCCO2 ZINC000276468778 403178490 /nfs/dbraw/zinc/17/84/90/403178490.db2.gz RHOYHBUPGYXRNQ-UHFFFAOYSA-N 0 3 318.417 2.314 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000270497673 403195952 /nfs/dbraw/zinc/19/59/52/403195952.db2.gz WALAAPQQHFLICN-UONOGXRCSA-N 0 3 304.419 2.068 20 30 DEEDHN C=CCOCCN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000338983275 403309146 /nfs/dbraw/zinc/30/91/46/403309146.db2.gz UXVTXSBWGBNCJB-SFHVURJKSA-N 0 3 318.461 2.412 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](NCc1ccc(OCC#N)cc1)C(N)=O ZINC000292242839 403331849 /nfs/dbraw/zinc/33/18/49/403331849.db2.gz QIMAIWKBYAKSFO-RDTXWAMCSA-N 0 3 323.396 2.336 20 30 DEEDHN CC1(C)CC[C@@H](CN2CC[C@H](Oc3ccc(C#N)cn3)C2)O1 ZINC000292254476 403335563 /nfs/dbraw/zinc/33/55/63/403335563.db2.gz RBCOBTFAHLDTGI-GJZGRUSLSA-N 0 3 301.390 2.364 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(CO)cc3)C2)nc1 ZINC000292263556 403338219 /nfs/dbraw/zinc/33/82/19/403338219.db2.gz ROQSVIOJZFLGJI-QGZVFWFLSA-N 0 3 309.369 2.099 20 30 DEEDHN CCOC1(C)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298248246 403340685 /nfs/dbraw/zinc/34/06/85/403340685.db2.gz KCAGCSNGKSEZEZ-MRXNPFEDSA-N 0 3 318.417 2.189 20 30 DEEDHN CC(C)N(CCNS(=O)(=O)Cc1cccc(C#N)c1)C(C)C ZINC000298401838 403374694 /nfs/dbraw/zinc/37/46/94/403374694.db2.gz HAJARSLAICDUKX-UHFFFAOYSA-N 0 3 323.462 2.096 20 30 DEEDHN CCOC(=O)c1cnn(C2CCN([C@H](C)CCC#N)CC2)c1 ZINC000298458910 403386426 /nfs/dbraw/zinc/38/64/26/403386426.db2.gz RMDUTLQOIBQCEW-CYBMUJFWSA-N 0 3 304.394 2.389 20 30 DEEDHN CCOC(=O)c1cnn(C2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000298458921 403387416 /nfs/dbraw/zinc/38/74/16/403387416.db2.gz RMDUTLQOIBQCEW-ZDUSSCGKSA-N 0 3 304.394 2.389 20 30 DEEDHN CCCN(CC(=O)Nc1ccccc1OC)C(=O)C(C)C#N ZINC000339911105 403491221 /nfs/dbraw/zinc/49/12/21/403491221.db2.gz BZQZMFAVIJHHFS-GFCCVEGCSA-N 0 3 303.362 2.032 20 30 DEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286071100 403442683 /nfs/dbraw/zinc/44/26/83/403442683.db2.gz JQTZQLQTMUNEFA-UHFFFAOYSA-N 0 3 319.361 2.276 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000343056747 403447439 /nfs/dbraw/zinc/44/74/39/403447439.db2.gz ZTEYYNQISRRVMG-OIISXLGYSA-N 0 3 302.418 2.182 20 30 DEEDHN CCOc1ccc(C2(CNC(=O)C(C)C#N)CCOCC2)cc1 ZINC000345764995 403474645 /nfs/dbraw/zinc/47/46/45/403474645.db2.gz OMGGODONPQQFLL-CQSZACIVSA-N 0 3 316.401 2.409 20 30 DEEDHN CC#CCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000345782025 403482852 /nfs/dbraw/zinc/48/28/52/403482852.db2.gz IWPLGFBZNADUFT-VXGBXAGGSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000286994641 403551503 /nfs/dbraw/zinc/55/15/03/403551503.db2.gz GOIRWZOSFNGPOS-UHFFFAOYSA-N 0 3 311.429 2.458 20 30 DEEDHN CNC(=O)CC[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000286365611 403508774 /nfs/dbraw/zinc/50/87/74/403508774.db2.gz HTDSKADJYCCAAM-MRXNPFEDSA-N 0 3 315.417 2.318 20 30 DEEDHN C#CCNC(=O)CCNC1(c2ccc(Br)cc2)CC1 ZINC000293877488 403587878 /nfs/dbraw/zinc/58/78/78/403587878.db2.gz TWYZTAXNEHJJTB-UHFFFAOYSA-N 0 3 321.218 2.167 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000332547800 403590692 /nfs/dbraw/zinc/59/06/92/403590692.db2.gz DFKKOEAKIUMUBT-VQHPVUNQSA-N 0 3 323.481 2.387 20 30 DEEDHN C=CCCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000346723696 403599715 /nfs/dbraw/zinc/59/97/15/403599715.db2.gz GBBZLVYBIBDOKF-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CN(CCN1CCCC1)C(=O)CSc1ccc(C#N)cc1 ZINC000343481672 403608009 /nfs/dbraw/zinc/60/80/09/403608009.db2.gz 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/nfs/dbraw/zinc/65/37/89/403653789.db2.gz ZSZVRHBPIXBYPD-QWHCGFSZSA-N 0 3 306.356 2.140 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCC1CCC(C#N)CC1 ZINC000333059561 403656502 /nfs/dbraw/zinc/65/65/02/403656502.db2.gz IIARQDPPRPSDDK-GPANFISMSA-N 0 3 306.454 2.300 20 30 DEEDHN CC(C)[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])N1CCCC1 ZINC000301643601 403658769 /nfs/dbraw/zinc/65/87/69/403658769.db2.gz NABLCBQLQMWOMU-CYBMUJFWSA-N 0 3 303.366 2.394 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)C2CCN(C)CC2)cc1 ZINC000294268180 403687694 /nfs/dbraw/zinc/68/76/94/403687694.db2.gz RINACCFRZUJCCB-UHFFFAOYSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000295110266 403763559 /nfs/dbraw/zinc/76/35/59/403763559.db2.gz VIWRTEHHPSAHLB-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN CC1CCN(CCNC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000347607908 403772542 /nfs/dbraw/zinc/77/25/42/403772542.db2.gz BNRPNHBLVAKRDN-UHFFFAOYSA-N 0 3 314.433 2.132 20 30 DEEDHN N#CC(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccncn1 ZINC000354466605 403816922 /nfs/dbraw/zinc/81/69/22/403816922.db2.gz MWHBWUIXYOHUSH-JTQLQIEISA-N 0 3 307.269 2.356 20 30 DEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCc1cccc(C#N)c1 ZINC000347740471 403837945 /nfs/dbraw/zinc/83/79/45/403837945.db2.gz BYOKIMUMMKDBLO-KRWDZBQOSA-N 0 3 316.449 2.376 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCCN(CC)CC1 ZINC000361758536 403846465 /nfs/dbraw/zinc/84/64/65/403846465.db2.gz BSRGDCAVHBIMRZ-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1OC ZINC000411637940 403918766 /nfs/dbraw/zinc/91/87/66/403918766.db2.gz GNFLZRSCBADUAQ-UHFFFAOYSA-N 0 3 305.422 2.073 20 30 DEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000289904313 404007748 /nfs/dbraw/zinc/00/77/48/404007748.db2.gz UCRQGTURKDYVSY-ZFWWWQNUSA-N 0 3 301.390 2.197 20 30 DEEDHN N#Cc1ccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)c(F)c1 ZINC000411967794 404035323 /nfs/dbraw/zinc/03/53/23/404035323.db2.gz IMQLNTVSEWKWIN-LJQANCHMSA-N 0 3 323.371 2.326 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)[C@@H]1CCCCCC(=O)C1 ZINC000362633142 403976376 /nfs/dbraw/zinc/97/63/76/403976376.db2.gz IMBAIFNOIBSXMG-OAHLLOKOSA-N 0 3 307.438 2.220 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3ncsc3C2)cc1 ZINC000348510992 404074556 /nfs/dbraw/zinc/07/45/56/404074556.db2.gz RGYOGKTZUILKHN-AWEZNQCLSA-N 0 3 322.393 2.282 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1OC(F)F ZINC000348523331 404076376 /nfs/dbraw/zinc/07/63/76/404076376.db2.gz CZFWKSUCOHQKEN-OXIQGZBJSA-N 0 3 317.380 2.179 20 30 DEEDHN CCOC1(C)CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000323683856 404095198 /nfs/dbraw/zinc/09/51/98/404095198.db2.gz FMBJICZCVOXRTN-MRXNPFEDSA-N 0 3 318.417 2.189 20 30 DEEDHN Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000348131805 404044440 /nfs/dbraw/zinc/04/44/40/404044440.db2.gz GEFGXYWCERCCDR-QGZVFWFLSA-N 0 3 304.353 2.260 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCCc2cccc(C#N)c2)CN1C1CC1 ZINC000344325522 404059325 /nfs/dbraw/zinc/05/93/25/404059325.db2.gz HPNHZALSYSISPT-XJKSGUPXSA-N 0 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/nfs/dbraw/zinc/22/48/20/404224820.db2.gz FVBVKYNJFQRBCV-GFCCVEGCSA-N 0 3 305.378 2.117 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[C@@H]2C1 ZINC000412250103 404208769 /nfs/dbraw/zinc/20/87/69/404208769.db2.gz LZCXKQPXOYWGMD-DZJNRPSUSA-N 0 3 309.413 2.214 20 30 DEEDHN CC(C)n1cnnc1SCC(=O)NCC1=CCN(C)CC1 ZINC000329186034 404258632 /nfs/dbraw/zinc/25/86/32/404258632.db2.gz GJKLWVRIGHAFLK-UHFFFAOYSA-N 0 3 309.439 2.170 20 30 DEEDHN CN1CCC[C@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000344607712 404259220 /nfs/dbraw/zinc/25/92/20/404259220.db2.gz WXYMTWRTUPJQPA-INIZCTEOSA-N 0 3 301.390 2.080 20 30 DEEDHN Cc1[nH]nc2ncc(CNCCOc3ccc(C#N)cc3)cc12 ZINC000344620186 404266622 /nfs/dbraw/zinc/26/66/22/404266622.db2.gz WXVBMIZKAUFUSR-UHFFFAOYSA-N 0 3 307.357 2.307 20 30 DEEDHN C=CCOc1ccc(CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000349947457 404269450 /nfs/dbraw/zinc/26/94/50/404269450.db2.gz WLZMMIPUVBAGPT-GOSISDBHSA-N 0 3 310.397 2.438 20 30 DEEDHN N#Cc1ccc(CNCCc2nnnn2-c2ccccc2)c(F)c1 ZINC000337835774 404269733 /nfs/dbraw/zinc/26/97/33/404269733.db2.gz XOCJHWKURAYXTA-UHFFFAOYSA-N 0 3 322.347 2.005 20 30 DEEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1C ZINC000344634746 404275939 /nfs/dbraw/zinc/27/59/39/404275939.db2.gz MKDISJSFRQBIEN-NSHDSACASA-N 0 3 322.324 2.178 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(F)c(C)c1 ZINC000296504384 404279446 /nfs/dbraw/zinc/27/94/46/404279446.db2.gz OFMIPQURNJDZRQ-CQSZACIVSA-N 0 3 305.397 2.449 20 30 DEEDHN CN(CCCNC(=O)NCC(C)(C)C#N)Cc1ccccc1 ZINC000349850400 404227072 /nfs/dbraw/zinc/22/70/72/404227072.db2.gz VJVSUJWONYXDOX-UHFFFAOYSA-N 0 3 302.422 2.357 20 30 DEEDHN CCCC[C@H](C)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000352397224 404340757 /nfs/dbraw/zinc/34/07/57/404340757.db2.gz IMQRQVLPLNSEFN-DLBZAZTESA-N 0 3 322.497 2.189 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccccc1C1CC1 ZINC000350223422 404349314 /nfs/dbraw/zinc/34/93/14/404349314.db2.gz SQQVXIZDOYXRGO-LBPRGKRZSA-N 0 3 307.415 2.170 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329510119 404362029 /nfs/dbraw/zinc/36/20/29/404362029.db2.gz XJOCTBWFXPXXTQ-KBUPBQIOSA-N 0 3 322.453 2.072 20 30 DEEDHN O=C(NC1CCN(C(=O)C2CC2)CC1)[C@H](C1CC1)N1CCCC1 ZINC000329498585 404355433 /nfs/dbraw/zinc/35/54/33/404355433.db2.gz GWRXOIRBUAJHNO-INIZCTEOSA-N 0 3 319.449 2.218 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCOCC1)C(C)C ZINC000364055459 404301232 /nfs/dbraw/zinc/30/12/32/404301232.db2.gz QFDRBIVXQKFXOF-INIZCTEOSA-N 0 3 309.454 2.117 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329328938 404303306 /nfs/dbraw/zinc/30/33/06/404303306.db2.gz KTFMNFKCIWDYBA-RBSFLKMASA-N 0 3 322.453 2.216 20 30 DEEDHN C=CC[C@H]1N(CC(=O)N[C@H](C(=O)OC)C(C)C)CCCC1(C)C ZINC000352368494 404321661 /nfs/dbraw/zinc/32/16/61/404321661.db2.gz IPKRAMANYREZAL-ZBFHGGJFSA-N 0 3 324.465 2.367 20 30 DEEDHN NC(=O)CCC1CCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329701263 404427971 /nfs/dbraw/zinc/42/79/71/404427971.db2.gz HHMJPTLTQIEHKA-LBPRGKRZSA-N 0 3 319.409 2.208 20 30 DEEDHN NC(=O)CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329701263 404427977 /nfs/dbraw/zinc/42/79/77/404427977.db2.gz HHMJPTLTQIEHKA-LBPRGKRZSA-N 0 3 319.409 2.208 20 30 DEEDHN CO[C@]1(C)C[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)C1(C)C ZINC000329708622 404429223 /nfs/dbraw/zinc/42/92/23/404429223.db2.gz MLRLTJWARUEISD-HACGYAERSA-N 0 3 309.454 2.344 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC([C@H]2CCCO2)CC1 ZINC000329604743 404391181 /nfs/dbraw/zinc/39/11/81/404391181.db2.gz LWWPCFIEMWKLSM-CZUORRHYSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC([C@H]2CCCO2)CC1 ZINC000329604743 404391187 /nfs/dbraw/zinc/39/11/87/404391187.db2.gz LWWPCFIEMWKLSM-CZUORRHYSA-N 0 3 318.421 2.072 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000342160447 404412271 /nfs/dbraw/zinc/41/22/71/404412271.db2.gz KNKPAKYMSHLKAF-INIZCTEOSA-N 0 3 302.418 2.197 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000356276182 404419203 /nfs/dbraw/zinc/41/92/03/404419203.db2.gz IMZMPTQYSNSQPB-JLSDUUJJSA-N 0 3 304.434 2.430 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000356276191 404419296 /nfs/dbraw/zinc/41/92/96/404419296.db2.gz IMZMPTQYSNSQPB-WBAXXEDZSA-N 0 3 304.434 2.430 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000297206182 404499662 /nfs/dbraw/zinc/49/96/62/404499662.db2.gz DBCXINUALZCFKQ-SFHVURJKSA-N 0 3 313.445 2.140 20 30 DEEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N(CC1CC1)CC1CC1 ZINC000329950619 404504476 /nfs/dbraw/zinc/50/44/76/404504476.db2.gz LYWWEHYRAJUXDC-HNNXBMFYSA-N 0 3 302.422 2.482 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345035223 404510694 /nfs/dbraw/zinc/51/06/94/404510694.db2.gz TUMMSEMDBYQEQG-WCQYABFASA-N 0 3 302.378 2.171 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000297076842 404440246 /nfs/dbraw/zinc/44/02/46/404440246.db2.gz 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/nfs/dbraw/zinc/65/57/03/404655703.db2.gz WLKZBNLECZXCGW-ZDUSSCGKSA-N 0 3 315.392 2.282 20 30 DEEDHN C=CC[C@H](CO)CNCc1cn2ccc(Br)cc2n1 ZINC000352793063 404625747 /nfs/dbraw/zinc/62/57/47/404625747.db2.gz DAXPUIJIWLOPNA-NSHDSACASA-N 0 3 324.222 2.371 20 30 DEEDHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000330331153 404629255 /nfs/dbraw/zinc/62/92/55/404629255.db2.gz NWRYWRSTJZWKTA-ARFHVFGLSA-N 0 3 311.470 2.283 20 30 DEEDHN CC(C)CN(C[C@@H](O)CN(C)C1CC1)c1ccc(C#N)cc1 ZINC000351540369 404633686 /nfs/dbraw/zinc/63/36/86/404633686.db2.gz VJXBWYXAHNQMDJ-SFHVURJKSA-N 0 3 301.434 2.476 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330352665 404635305 /nfs/dbraw/zinc/63/53/05/404635305.db2.gz NPIFPINFCGWEIH-CHWSQXEVSA-N 0 3 318.421 2.235 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccco3)C2)cc1 ZINC000374009160 404667972 /nfs/dbraw/zinc/66/79/72/404667972.db2.gz VYMDJSKOKCQAJG-CVEARBPZSA-N 0 3 312.369 2.380 20 30 DEEDHN COCC1(C#N)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000357096142 404728418 /nfs/dbraw/zinc/72/84/18/404728418.db2.gz VOYJRIXKBFCMBG-UHFFFAOYSA-N 0 3 315.417 2.141 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)s1 ZINC000366194085 404771088 /nfs/dbraw/zinc/77/10/88/404771088.db2.gz YMNIZKRIUDYJTF-CYBMUJFWSA-N 0 3 312.398 2.019 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000357447583 404735050 /nfs/dbraw/zinc/73/50/50/404735050.db2.gz VIANCEJICYQRBN-HNNXBMFYSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC000357815889 404744590 /nfs/dbraw/zinc/74/45/90/404744590.db2.gz FLUVSXPKWVVGPP-CQSZACIVSA-N 0 3 318.417 2.229 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)OC[C@H]2CC)CC1 ZINC000358392972 404761422 /nfs/dbraw/zinc/76/14/22/404761422.db2.gz ZLXUPZNKSZMZHQ-GDBMZVCRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCOC)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000358449953 404763080 /nfs/dbraw/zinc/76/30/80/404763080.db2.gz RUEGMHKCJGWDJK-NVXWUHKLSA-N 0 3 323.481 2.483 20 30 DEEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000414713908 404715098 /nfs/dbraw/zinc/71/50/98/404715098.db2.gz PHNZXIUALDCDOS-TVQRCGJNSA-N 0 3 322.796 2.446 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2csc3nccn23)CC1 ZINC000360752622 404836965 /nfs/dbraw/zinc/83/69/65/404836965.db2.gz FSSWIXMERDDNKG-UHFFFAOYSA-N 0 3 318.446 2.095 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)C1(C#N)CCOCC1)c1ccco1 ZINC000359546067 404795637 /nfs/dbraw/zinc/79/56/37/404795637.db2.gz PUSHDXSNDDVWMY-UONOGXRCSA-N 0 3 319.405 2.145 20 30 DEEDHN N#CC(C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000359914688 404809014 /nfs/dbraw/zinc/80/90/14/404809014.db2.gz BIRGVZOIBALHOL-LBPRGKRZSA-N 0 3 300.249 2.375 20 30 DEEDHN COC1CCC(N(C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000360309714 404824644 /nfs/dbraw/zinc/82/46/44/404824644.db2.gz VWPBVPHTWKSMSU-UHFFFAOYSA-N 0 3 307.438 2.218 20 30 DEEDHN C=CCC[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1 ZINC000358724188 404773428 /nfs/dbraw/zinc/77/34/28/404773428.db2.gz QJRYDYSRMWHRNQ-WMZOPIPTSA-N 0 3 317.433 2.060 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCc3ccccc3OC2)c1 ZINC000366970995 404885754 /nfs/dbraw/zinc/88/57/54/404885754.db2.gz VTMPAJNSSNSHCX-KRWDZBQOSA-N 0 3 321.380 2.480 20 30 DEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1(O)CCC1 ZINC000353475393 404840399 /nfs/dbraw/zinc/84/03/99/404840399.db2.gz XKMUQZJGZMRZKX-ISXOHVOVSA-N 0 3 321.465 2.153 20 30 DEEDHN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC1(C#N)CC1 ZINC000434743565 404931216 /nfs/dbraw/zinc/93/12/16/404931216.db2.gz FEEBLEVOYUSUPO-GOEBONIOSA-N 0 3 301.438 2.039 20 30 DEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc2c(c1)OCCO2 ZINC000424107234 405008422 /nfs/dbraw/zinc/00/84/22/405008422.db2.gz YYMCRKBZGWDDIY-ZIAGYGMSSA-N 0 3 317.389 2.046 20 30 DEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc2c(c1)OCCO2 ZINC000424107229 405009080 /nfs/dbraw/zinc/00/90/80/405009080.db2.gz YYMCRKBZGWDDIY-KBPBESRZSA-N 0 3 317.389 2.046 20 30 DEEDHN CCc1cccc2c1OCC[C@@H]2NC(=O)[C@@H](N)CCCC#N ZINC000424114409 405011629 /nfs/dbraw/zinc/01/16/29/405011629.db2.gz RAHPLEWSIITADZ-GJZGRUSLSA-N 0 3 301.390 2.210 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000424124491 405014252 /nfs/dbraw/zinc/01/42/52/405014252.db2.gz OYELJRPDTIZGNI-SRVKXCTJSA-N 0 3 305.344 2.492 20 30 DEEDHN CCN(CC)[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccsc1 ZINC000424126953 405015715 /nfs/dbraw/zinc/01/57/15/405015715.db2.gz CIVQDZWMSRDSFM-LSDHHAIUSA-N 0 3 322.478 2.268 20 30 DEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000367333970 405015869 /nfs/dbraw/zinc/01/58/69/405015869.db2.gz WROMIWYJXDWZLD-IBGZPJMESA-N 0 3 322.412 2.026 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccccc1OCC#N ZINC000367333145 405016257 /nfs/dbraw/zinc/01/62/57/405016257.db2.gz OXEADXGYTNJYSY-GJZGRUSLSA-N 0 3 313.401 2.288 20 30 DEEDHN CN(C)[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000424132961 405016572 /nfs/dbraw/zinc/01/65/72/405016572.db2.gz IQSLZAPPRNLTMG-HUUCEWRRSA-N 0 3 322.840 2.080 20 30 DEEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCN1CCCOCC1 ZINC000361318147 405020377 /nfs/dbraw/zinc/02/03/77/405020377.db2.gz IAUIEXNAUNSCAE-MOPGFXCFSA-N 0 3 313.445 2.480 20 30 DEEDHN Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](N)CCCC#N)CCC2 ZINC000424146658 405021735 /nfs/dbraw/zinc/02/17/35/405021735.db2.gz PXNSSRRXVRSUMN-YPMHNXCESA-N 0 3 306.435 2.309 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000451751456 405023742 /nfs/dbraw/zinc/02/37/42/405023742.db2.gz BMLSQOKWKDRIIW-OAGGEKHMSA-N 0 3 306.381 2.136 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(C)c1 ZINC000424154316 405023725 /nfs/dbraw/zinc/02/37/25/405023725.db2.gz OFFQSYDTRZSWQA-GDBMZVCRSA-N 0 3 303.406 2.290 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCN([C@H](C)c3ccccc3)C2)nn1 ZINC000424168945 405028298 /nfs/dbraw/zinc/02/82/98/405028298.db2.gz GYTGBBGYPVCTPI-WBVHZDCISA-N 0 3 311.433 2.389 20 30 DEEDHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@H](N)CCCC#N ZINC000424170322 405028414 /nfs/dbraw/zinc/02/84/14/405028414.db2.gz KXFPMRPEVOSJLJ-WMLDXEAASA-N 0 3 315.417 2.252 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2noc3ccc(F)cc23)CC1 ZINC000416151927 405038228 /nfs/dbraw/zinc/03/82/28/405038228.db2.gz TWMVMCNYUYOZSF-UHFFFAOYSA-N 0 3 317.364 2.276 20 30 DEEDHN Cc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1Br ZINC000424177458 405031315 /nfs/dbraw/zinc/03/13/15/405031315.db2.gz UMTRHAGTCGEVBE-LBPRGKRZSA-N 0 3 324.222 2.395 20 30 DEEDHN COc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OC(C)C ZINC000424190734 405035005 /nfs/dbraw/zinc/03/50/05/405035005.db2.gz OTQCKMOSRIZUIF-CYBMUJFWSA-N 0 3 305.378 2.442 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000404161025 405068606 /nfs/dbraw/zinc/06/86/06/405068606.db2.gz ZFCNGAZJCYZPAC-ZIAGYGMSSA-N 0 3 310.394 2.143 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@H]2CCCCN2CC(C)C)nn1 ZINC000424742452 405165492 /nfs/dbraw/zinc/16/54/92/405165492.db2.gz VMIIRMSPRGQXBL-OAHLLOKOSA-N 0 3 319.453 2.095 20 30 DEEDHN Cc1cc(C#N)nc(N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000367844081 405170974 /nfs/dbraw/zinc/17/09/74/405170974.db2.gz VFKUHRHUOPEQDC-FVQHAEBGSA-N 0 3 305.385 2.199 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000424774206 405173817 /nfs/dbraw/zinc/17/38/17/405173817.db2.gz ZHASDSQATDTZGS-HNNXBMFYSA-N 0 3 307.482 2.216 20 30 DEEDHN N#Cc1ccccc1OCCN(CCO)[C@H]1CCCSC1 ZINC000439007083 405262343 /nfs/dbraw/zinc/26/23/43/405262343.db2.gz UXONYONLGNAUPX-HNNXBMFYSA-N 0 3 306.431 2.127 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1ccccc1 ZINC000420000954 405279327 /nfs/dbraw/zinc/27/93/27/405279327.db2.gz QORFDKYFWLZDQO-WMZOPIPTSA-N 0 3 304.434 2.165 20 30 DEEDHN Cc1onc(CC(=O)N[C@@H](CC(C)C)CN2CCCC2)c1C#N ZINC000452783117 405242413 /nfs/dbraw/zinc/24/24/13/405242413.db2.gz ZNDYNDZICQHASB-AWEZNQCLSA-N 0 3 318.421 2.024 20 30 DEEDHN COc1cc(CNCCNC(=O)CC2CCCC2)ccc1C#N ZINC000440835565 405328708 /nfs/dbraw/zinc/32/87/08/405328708.db2.gz XMCZYEXIZVOKET-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C[C@H]1C[C@@H](CO)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000426166832 405341438 /nfs/dbraw/zinc/34/14/38/405341438.db2.gz QKPYGZHZCPRICS-BHYGNILZSA-N 0 3 300.402 2.378 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCN1C1CC1)C(C)C ZINC000426417744 405358627 /nfs/dbraw/zinc/35/86/27/405358627.db2.gz CCCJILJLKIALAG-QZTJIDSGSA-N 0 3 319.493 2.428 20 30 DEEDHN N#CC1(CCCN2CCC[C@H](n3ccnn3)C2)CCOCC1 ZINC000425517519 405299530 /nfs/dbraw/zinc/29/95/30/405299530.db2.gz ULMJCQGEYNDGKX-HNNXBMFYSA-N 0 3 303.410 2.016 20 30 DEEDHN C=C(C)CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000454543718 405361306 /nfs/dbraw/zinc/36/13/06/405361306.db2.gz HYKCDXLFSKLAQZ-UHFFFAOYSA-N 0 3 301.434 2.351 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nnc(C2CC2)n1C1CC1 ZINC000429714028 405444755 /nfs/dbraw/zinc/44/47/55/405444755.db2.gz FISKZWNCNQWHRW-UHFFFAOYSA-N 0 3 303.454 2.430 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000421108028 405447869 /nfs/dbraw/zinc/44/78/69/405447869.db2.gz CSWNJIYJGOEZGK-LLVKDONJSA-N 0 3 307.785 2.165 20 30 DEEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000430747440 405500486 /nfs/dbraw/zinc/50/04/86/405500486.db2.gz LWSBGDJIFQZZSQ-ZDUSSCGKSA-N 0 3 321.446 2.281 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000556770412 405528444 /nfs/dbraw/zinc/52/84/44/405528444.db2.gz WOVXZMBCBYBSBJ-OAGGEKHMSA-N 0 3 321.396 2.071 20 30 DEEDHN COc1nccc(CNC2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000449373628 405528755 /nfs/dbraw/zinc/52/87/55/405528755.db2.gz STKVNVFMGBURLR-UHFFFAOYSA-N 0 3 323.400 2.115 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC[C@H]2CCOC2)cc1 ZINC000456757335 405551521 /nfs/dbraw/zinc/55/15/21/405551521.db2.gz HWYHXRIQLLQXCO-DLBZAZTESA-N 0 3 311.385 2.173 20 30 DEEDHN C[C@@H]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528479111 405627884 /nfs/dbraw/zinc/62/78/84/405627884.db2.gz VKJMZKNZIPMNAO-HUUCEWRRSA-N 0 3 310.397 2.406 20 30 DEEDHN C=C(C)COc1cc(CN[C@H]2CC(=O)N(CC)C2)ccc1OC ZINC000449517504 405593793 /nfs/dbraw/zinc/59/37/93/405593793.db2.gz KJJFAOVCABDHPB-HNNXBMFYSA-N 0 3 318.417 2.361 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000458808289 405600974 /nfs/dbraw/zinc/60/09/74/405600974.db2.gz HSRLKPRWURCOKH-OAHLLOKOSA-N 0 3 311.470 2.341 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456977387 405640253 /nfs/dbraw/zinc/64/02/53/405640253.db2.gz KBMOVVXYRYVGBZ-GVDBMIGSSA-N 0 3 311.385 2.314 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCC1(F)F ZINC000528503275 405641026 /nfs/dbraw/zinc/64/10/26/405641026.db2.gz JXARLRDEGGJCPW-TZMCWYRMSA-N 0 3 310.344 2.275 20 30 DEEDHN N#CCC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528714225 405720435 /nfs/dbraw/zinc/72/04/35/405720435.db2.gz RQYCSICUBXBJMW-UHFFFAOYSA-N 0 3 314.389 2.326 20 30 DEEDHN COCc1ccc(NC(=O)N(C)C[C@@H]2CCCN2C)cc1C#N ZINC000529207882 405750833 /nfs/dbraw/zinc/75/08/33/405750833.db2.gz IGVCJOAYLRVRNB-INIZCTEOSA-N 0 3 316.405 2.263 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000530322467 405781577 /nfs/dbraw/zinc/78/15/77/405781577.db2.gz GKWOIFJPFKOHPG-QGZVFWFLSA-N 0 3 319.493 2.360 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000450293002 405819979 /nfs/dbraw/zinc/81/99/79/405819979.db2.gz XRQFEMRDJJQIGI-DLBZAZTESA-N 0 3 308.385 2.022 20 30 DEEDHN Cc1cc(C(=O)NCc2ccc(CN(C)C)cc2)ncc1C#N ZINC000457397094 405826325 /nfs/dbraw/zinc/82/63/25/405826325.db2.gz IISVYHWNUSJASM-UHFFFAOYSA-N 0 3 308.385 2.253 20 30 DEEDHN CCOC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000529892711 405770074 /nfs/dbraw/zinc/77/00/74/405770074.db2.gz CKJLBTJAVPCPFS-IRXDYDNUSA-N 0 3 316.401 2.023 20 30 DEEDHN N#CCCC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000584347656 405861954 /nfs/dbraw/zinc/86/19/54/405861954.db2.gz CURPKKXPFRVREM-UHFFFAOYSA-N 0 3 304.438 2.339 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000495655930 405928253 /nfs/dbraw/zinc/92/82/53/405928253.db2.gz IDZMGZIQIUBQKF-VXGBXAGGSA-N 0 3 309.410 2.298 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCCO1 ZINC000495924926 405940968 /nfs/dbraw/zinc/94/09/68/405940968.db2.gz BQNPWSVGTXBZJZ-SOUVJXGZSA-N 0 3 323.437 2.294 20 30 DEEDHN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCN2CCCO)c1 ZINC000450593841 405968853 /nfs/dbraw/zinc/96/88/53/405968853.db2.gz JMQOFSRJLPPREE-MRXNPFEDSA-N 0 3 301.390 2.020 20 30 DEEDHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433304945 405918799 /nfs/dbraw/zinc/91/87/99/405918799.db2.gz OQIQTMCTEZCSCR-DZKIICNBSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccn(-c3ccccc3)n2)CC1 ZINC000532047495 406038070 /nfs/dbraw/zinc/03/80/70/406038070.db2.gz XDPHDAJZWUJKCE-UHFFFAOYSA-N 0 3 324.428 2.181 20 30 DEEDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(C#N)cn2)C1 ZINC000562369958 405995813 /nfs/dbraw/zinc/99/58/13/405995813.db2.gz DAIMDIZOZYFXQA-ZBFHGGJFSA-N 0 3 314.433 2.470 20 30 DEEDHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(CCC#N)CC2)C1(C)C ZINC000515848715 406082970 /nfs/dbraw/zinc/08/29/70/406082970.db2.gz KORDBAYHYBGZKL-RHSMWYFYSA-N 0 3 307.438 2.061 20 30 DEEDHN N#Cc1cncnc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000565653994 406077095 /nfs/dbraw/zinc/07/70/95/406077095.db2.gz GPHKKEBZDLPDRD-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000518927449 406167017 /nfs/dbraw/zinc/16/70/17/406167017.db2.gz KFYNFMLHCBHOMO-ICSRJNTNSA-N 0 3 322.408 2.400 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NCC[C@@H]3CCOC3)C2=O)cc1 ZINC000517199181 406123691 /nfs/dbraw/zinc/12/36/91/406123691.db2.gz KNMKFNBJYQFOOB-NVXWUHKLSA-N 0 3 313.401 2.070 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn(C)nc2C(F)F)CC1 ZINC000534361402 406186071 /nfs/dbraw/zinc/18/60/71/406186071.db2.gz LBGAUPNKWJLEDI-UHFFFAOYSA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCOc1ccc(CNCCN2CCO[C@@H](CC)C2)cc1 ZINC000487153505 406209891 /nfs/dbraw/zinc/20/98/91/406209891.db2.gz JZLUTLHPTYBRGH-KRWDZBQOSA-N 0 3 304.434 2.452 20 30 DEEDHN C=C(C)CNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000488582901 406332760 /nfs/dbraw/zinc/33/27/60/406332760.db2.gz PKCVZIFGFPDVIC-UHFFFAOYSA-N 0 3 305.422 2.045 20 30 DEEDHN C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000521733606 406363334 /nfs/dbraw/zinc/36/33/34/406363334.db2.gz DYLWAAQCLXKINX-ZFWWWQNUSA-N 0 3 300.406 2.260 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000570169413 406356101 /nfs/dbraw/zinc/35/61/01/406356101.db2.gz SZQWYWTXWDESGG-KRWDZBQOSA-N 0 3 302.422 2.302 20 30 DEEDHN C=CCCCS(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000489535866 406416589 /nfs/dbraw/zinc/41/65/89/406416589.db2.gz XEVDSBLCSZKWTE-HNNXBMFYSA-N 0 3 300.468 2.090 20 30 DEEDHN C=CCSc1ccccc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000640322877 406464261 /nfs/dbraw/zinc/46/42/61/406464261.db2.gz STHOOXZBJNFLSG-CQSZACIVSA-N 0 3 320.458 2.151 20 30 DEEDHN C#C[C@H](CC)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000491095659 406527810 /nfs/dbraw/zinc/52/78/10/406527810.db2.gz MGSLVHDBODKQKF-OAHLLOKOSA-N 0 3 314.433 2.362 20 30 DEEDHN C#CCNC(=O)CCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000491164416 406536244 /nfs/dbraw/zinc/53/62/44/406536244.db2.gz BNDLDUKVJBVPAY-LBPRGKRZSA-N 0 3 302.340 2.180 20 30 DEEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491276941 406559463 /nfs/dbraw/zinc/55/94/63/406559463.db2.gz LRDNBAJCBYPMQE-OCCSQVGLSA-N 0 3 302.374 2.192 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)Cc1cccc(F)c1 ZINC000491295222 406563375 /nfs/dbraw/zinc/56/33/75/406563375.db2.gz GCVRZZQYSWWPDS-OAHLLOKOSA-N 0 3 319.424 2.353 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@H](C)N(C)C)c1ccc(Cl)cc1F ZINC000491462082 406598055 /nfs/dbraw/zinc/59/80/55/406598055.db2.gz GXWGQTFLSUAIGX-IINYFYTJSA-N 0 3 311.788 2.403 20 30 DEEDHN Cn1c(C#N)ccc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000572046179 406599879 /nfs/dbraw/zinc/59/98/79/406599879.db2.gz YTVUZFPSMYHLPU-LJQANCHMSA-N 0 3 322.412 2.291 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000527243928 406603376 /nfs/dbraw/zinc/60/33/76/406603376.db2.gz ZHXFBDUDVPBVKR-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(C)(C)c2ncccc2C)CC1 ZINC000491347967 406573024 /nfs/dbraw/zinc/57/30/24/406573024.db2.gz AZIACYPKCRZAMD-UHFFFAOYSA-N 0 3 313.445 2.129 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000549087603 406575578 /nfs/dbraw/zinc/57/55/78/406575578.db2.gz WJGRMSYKVHYPRV-KRWDZBQOSA-N 0 3 322.412 2.164 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000491669692 406659884 /nfs/dbraw/zinc/65/98/84/406659884.db2.gz YCAGQHLNFOQBHT-OAHLLOKOSA-N 0 3 312.417 2.216 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000491673499 406662673 /nfs/dbraw/zinc/66/26/73/406662673.db2.gz QERACKGQSDCVRA-KRWDZBQOSA-N 0 3 311.429 2.316 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000491674391 406663434 /nfs/dbraw/zinc/66/34/34/406663434.db2.gz XBOJCUQMWVCWEP-LSDHHAIUSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1CC(c2cccc(F)c2)C1 ZINC000491692240 406670986 /nfs/dbraw/zinc/67/09/86/406670986.db2.gz QPWFEJKDPHRBMA-UHFFFAOYSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN(C)CCCNC(=S)Nc1ccc(C(C)=O)cc1 ZINC000491694068 406672006 /nfs/dbraw/zinc/67/20/06/406672006.db2.gz VBGQLSCECAGHIX-UHFFFAOYSA-N 0 3 303.431 2.131 20 30 DEEDHN C#C[C@H]1COCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000491703931 406678562 /nfs/dbraw/zinc/67/85/62/406678562.db2.gz SYUJLZDWYJIXCC-SFHVURJKSA-N 0 3 312.413 2.147 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000491712115 406683127 /nfs/dbraw/zinc/68/31/27/406683127.db2.gz XIZGOYLUIZYXDG-WCQYABFASA-N 0 3 301.308 2.399 20 30 DEEDHN C#CCN(C1CCCC1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000491744541 406698743 /nfs/dbraw/zinc/69/87/43/406698743.db2.gz NRVWYLVZCOCNLC-UHFFFAOYSA-N 0 3 320.458 2.315 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000491811142 406732006 /nfs/dbraw/zinc/73/20/06/406732006.db2.gz KVHYAKBJLQCEIB-HZPDHXFCSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cc(F)ccc1SC ZINC000491818030 406734574 /nfs/dbraw/zinc/73/45/74/406734574.db2.gz KDXFFBRJRHACHA-UHFFFAOYSA-N 0 3 323.437 2.302 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(/C)c1cccc(OC)c1 ZINC000491809448 406729671 /nfs/dbraw/zinc/72/96/71/406729671.db2.gz GMNVTOQFLWUZQC-SQFISAMPSA-N 0 3 300.402 2.170 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(C#N)cn1)c1ccco1 ZINC000554634068 406819896 /nfs/dbraw/zinc/81/98/96/406819896.db2.gz LEKAETSKNKFYMC-SWLSCSKDSA-N 0 3 312.373 2.405 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(OCC(F)(F)F)cc1 ZINC000641768843 406888487 /nfs/dbraw/zinc/88/84/87/406888487.db2.gz JPRAAYHRPNGYIG-CYBMUJFWSA-N 0 3 301.308 2.492 20 30 DEEDHN Cc1cc2ncc(C(=O)C(C#N)c3cc(C)nc(C)n3)c(C)n2n1 ZINC000642282712 406918892 /nfs/dbraw/zinc/91/88/92/406918892.db2.gz YFGZMXYUNDBBFV-CYBMUJFWSA-N 0 3 320.356 2.243 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(CO)cc2)CC1 ZINC000645264809 407255804 /nfs/dbraw/zinc/25/58/04/407255804.db2.gz NKQDBVUQVGAISS-UHFFFAOYSA-N 0 3 317.433 2.019 20 30 DEEDHN N#CCCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000264073544 225300721 /nfs/dbraw/zinc/30/07/21/225300721.db2.gz BPLUOXXBFYRPMW-MRXNPFEDSA-N 0 3 300.406 2.254 20 30 DEEDHN COCCN1CC[C@H](NC(=O)NCC2CCC(F)(F)CC2)C1 ZINC000330382984 226001483 /nfs/dbraw/zinc/00/14/83/226001483.db2.gz JKBQSMDVDAIBAY-ZDUSSCGKSA-N 0 3 319.396 2.036 20 30 DEEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(OC)c1OC ZINC000330889524 226039292 /nfs/dbraw/zinc/03/92/92/226039292.db2.gz BIXSOVSEMIRLPP-WCQYABFASA-N 0 3 322.405 2.500 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CN1C1CC1 ZINC000338039432 226152707 /nfs/dbraw/zinc/15/27/07/226152707.db2.gz BTYIIHSWTIKXMJ-XJKSGUPXSA-N 0 3 315.392 2.102 20 30 DEEDHN COCCN1CCC(Nc2nc(C)c(C#N)cc2Cl)CC1 ZINC000290898482 222003641 /nfs/dbraw/zinc/00/36/41/222003641.db2.gz DTKSABRTXWKHBR-UHFFFAOYSA-N 0 3 308.813 2.438 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000291276494 222278772 /nfs/dbraw/zinc/27/87/72/222278772.db2.gz LUBBFOCJHXSVLA-SFHVURJKSA-N 0 3 304.434 2.212 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000299489221 229147700 /nfs/dbraw/zinc/14/77/00/229147700.db2.gz ZZOLVNWQNZFYAD-MELADBBJSA-N 0 3 319.430 2.272 20 30 DEEDHN COc1ccc(CN[C@@]2(CO)COc3ccccc3C2)cc1C#N ZINC000527770423 269782208 /nfs/dbraw/zinc/78/22/08/269782208.db2.gz VZEJDGSCWVDYHE-IBGZPJMESA-N 0 3 324.380 2.023 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)n(-c3ccccc3)n2)CC1 ZINC000490897165 421192890 /nfs/dbraw/zinc/19/28/90/421192890.db2.gz AHXCXOZXKSFVJI-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN CC(C)c1noc(CCNCc2cc(C#N)ccc2N(C)C)n1 ZINC001348537918 1151168089 /nfs/dbraw/zinc/16/80/89/1151168089.db2.gz QWPCSSAUWXZKTK-UHFFFAOYSA-N 0 3 313.405 2.463 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc3c(c2)CCCO3)CC1 ZINC000648773388 424904808 /nfs/dbraw/zinc/90/48/08/424904808.db2.gz GSXHOBZBYGHUQO-UHFFFAOYSA-N 0 3 314.429 2.321 20 30 DEEDHN N#Cc1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1N ZINC000571297391 424931154 /nfs/dbraw/zinc/93/11/54/424931154.db2.gz MPINJBNIGFBKAR-MRXNPFEDSA-N 0 3 307.401 2.784 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)nc1 ZINC000593052644 425006962 /nfs/dbraw/zinc/00/69/62/425006962.db2.gz SIOYCHSOJXBJAR-GHMZBOCLSA-N 0 3 313.279 2.639 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)c(N)n1 ZINC000583391644 424984839 /nfs/dbraw/zinc/98/48/39/424984839.db2.gz BOMWBHJSUOZXPX-YOEHRIQHSA-N 0 3 321.428 2.858 20 30 DEEDHN Cc1nc(NCC2(CC#N)CC2)cc(NCC2(CC#N)CC2)n1 ZINC000584088865 424988659 /nfs/dbraw/zinc/98/86/59/424988659.db2.gz XHKHTSUNWMZRFS-UHFFFAOYSA-N 0 3 310.405 2.997 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000596085889 425017801 /nfs/dbraw/zinc/01/78/01/425017801.db2.gz NDZJFNRPWXIWRH-OAHLLOKOSA-N 0 3 313.380 2.765 20 30 DEEDHN N#Cc1nc(NC2CCN(C3CC3)CC2)ccc1C(F)(F)F ZINC000443430867 425044436 /nfs/dbraw/zinc/04/44/36/425044436.db2.gz NSASEAUCLUPSOK-UHFFFAOYSA-N 0 3 310.323 3.011 20 30 DEEDHN C[C@@H](CNc1nc2c(c(C#N)c1C#N)CCCCCC2)N(C)C ZINC000450821129 425081495 /nfs/dbraw/zinc/08/14/95/425081495.db2.gz QBSDCKWXWQDSPL-ZDUSSCGKSA-N 0 3 311.433 2.846 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000652340244 425242609 /nfs/dbraw/zinc/24/26/09/425242609.db2.gz HDWDIHQEVRFVPN-QXSJWSMHSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000660700055 425210376 /nfs/dbraw/zinc/21/03/76/425210376.db2.gz IZUNHJCXOPMQSW-CVEARBPZSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000660706031 425211753 /nfs/dbraw/zinc/21/17/53/425211753.db2.gz ZTAVQUFPSXCXAD-OAGGEKHMSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN(CCC(=O)N1CCc2ccccc21)[C@@H](C)COC ZINC000661240630 425359062 /nfs/dbraw/zinc/35/90/62/425359062.db2.gz PEESMQAINQBCTB-HNNXBMFYSA-N 0 3 302.418 2.489 20 30 DEEDHN C=CCN(C[C@@H]1CN(c2ccccc2)CCO1)[C@@H](C)COC ZINC000661238993 425357802 /nfs/dbraw/zinc/35/78/02/425357802.db2.gz BICRKHACIVBWOZ-FUHWJXTLSA-N 0 3 304.434 2.415 20 30 DEEDHN CC#CCCNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000664704319 425440245 /nfs/dbraw/zinc/44/02/45/425440245.db2.gz UJEOIEMXHKOSJB-SFHVURJKSA-N 0 3 313.445 2.358 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312802 425621947 /nfs/dbraw/zinc/62/19/47/425621947.db2.gz FMKHWMYVHSNMIZ-HDICACEKSA-N 0 3 304.434 2.080 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CCOCC2)cc1 ZINC000348232161 268085659 /nfs/dbraw/zinc/08/56/59/268085659.db2.gz PPDFCJBEFKCQKN-KRWDZBQOSA-N 0 3 311.385 2.173 20 30 DEEDHN Cn1cc(CNC2CCC(Oc3ccccc3C#N)CC2)nn1 ZINC000525196083 268128706 /nfs/dbraw/zinc/12/87/06/268128706.db2.gz WWMFNMWEXWSBRH-UHFFFAOYSA-N 0 3 311.389 2.167 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425502630 268283975 /nfs/dbraw/zinc/28/39/75/268283975.db2.gz QPDIBOJMRDWOME-MRXNPFEDSA-N 0 3 311.389 2.256 20 30 DEEDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCCC2)ccc1C#N ZINC000319798723 268844899 /nfs/dbraw/zinc/84/48/99/268844899.db2.gz UDGLMXMVHZAPGO-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN CN(c1cncc(C#N)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000401336630 269111828 /nfs/dbraw/zinc/11/18/28/269111828.db2.gz RVLRRWRKQXDCTG-KRWDZBQOSA-N 0 3 307.401 2.449 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCOC3(CCC3)C2)C(N)=O)cc1 ZINC000516635219 269366690 /nfs/dbraw/zinc/36/66/90/269366690.db2.gz UBQRWAHODWKBJW-GDBMZVCRSA-N 0 3 313.401 2.024 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)/C=C/c2cccc(C#N)c2)CCSC1 ZINC000267198207 276847841 /nfs/dbraw/zinc/84/78/41/276847841.db2.gz DMDPODLYKNARQH-DKRLNXSXSA-N 0 3 315.442 2.125 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000297560952 277070953 /nfs/dbraw/zinc/07/09/53/277070953.db2.gz NVOKKCMDDXSHDD-GOSISDBHSA-N 0 3 312.417 2.186 20 30 DEEDHN CN1CCN(C)[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838771 277103187 /nfs/dbraw/zinc/10/31/87/277103187.db2.gz DYJHSDIKHQOOSH-MJGOQNOKSA-N 0 3 312.461 2.161 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246235021 277155681 /nfs/dbraw/zinc/15/56/81/277155681.db2.gz IESDYGKJGZLEHB-SWLSCSKDSA-N 0 3 319.355 2.393 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000451634285 277288354 /nfs/dbraw/zinc/28/83/54/277288354.db2.gz TZCBMUSBFJVRTJ-LERXQTSPSA-N 0 3 305.378 2.252 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](C)[C@H]1CO)C(C)C ZINC000190307813 277848057 /nfs/dbraw/zinc/84/80/57/277848057.db2.gz SFKJVUQQYQPCJX-IXDOHACOSA-N 0 3 323.481 2.097 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(F)c1C#N ZINC000376396590 278899321 /nfs/dbraw/zinc/89/93/21/278899321.db2.gz PAPJXIUCKZWYHF-CHWSQXEVSA-N 0 3 301.365 2.396 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000329327873 279066476 /nfs/dbraw/zinc/06/64/76/279066476.db2.gz KCWJKNWMPZRFLE-HWWQOWPSSA-N 0 3 312.373 2.224 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cncs1 ZINC000299367818 289146475 /nfs/dbraw/zinc/14/64/75/289146475.db2.gz UXIZMRQHAZAKMN-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000360392402 295645443 /nfs/dbraw/zinc/64/54/43/295645443.db2.gz IUGYZFJQQYMJNT-VBNZEHGJSA-N 0 3 317.458 2.166 20 30 DEEDHN Cc1noc([C@H]2CCCCN2C(=O)NCC2(N(C)C)CCC2)n1 ZINC000329534932 302854821 /nfs/dbraw/zinc/85/48/21/302854821.db2.gz LAVYPONVAKTIPK-CYBMUJFWSA-N 0 3 321.425 2.303 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@H]1C ZINC001088960511 782081940 /nfs/dbraw/zinc/08/19/40/782081940.db2.gz MKACTBPFTKJWTJ-DOMZBBRYSA-N 0 3 310.401 2.087 20 30 DEEDHN C[C@H](COc1ccccc1F)NC(=O)[C@H](N)CCCCC#N ZINC001349824229 1151292555 /nfs/dbraw/zinc/29/25/55/1151292555.db2.gz QCYLHQQIYAOJDL-TZMCWYRMSA-N 0 3 307.369 2.120 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000576848616 326324126 /nfs/dbraw/zinc/32/41/26/326324126.db2.gz GNLPWSCNFUZMPM-GOSISDBHSA-N 0 3 320.396 2.244 20 30 DEEDHN C[C@H](c1ccccc1)N1CCC(Nc2ncncc2C#N)CC1 ZINC000577367992 326361058 /nfs/dbraw/zinc/36/10/58/326361058.db2.gz GZGONDKZCAJDFY-CQSZACIVSA-N 0 3 307.401 2.408 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCC1(C#N)CC1 ZINC000584098542 331712809 /nfs/dbraw/zinc/71/28/09/331712809.db2.gz OPSIVWVWXDILEN-UHFFFAOYSA-N 0 3 306.435 2.125 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@H]1CCOC(C)(C)C1 ZINC000351949596 336182366 /nfs/dbraw/zinc/18/23/66/336182366.db2.gz QQQDNRSPXWPPFD-CABCVRRESA-N 0 3 309.454 2.274 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)[C@H]1C ZINC001088998616 782107088 /nfs/dbraw/zinc/10/70/88/782107088.db2.gz FZRPQJXAMDIJTI-DYVFJYSZSA-N 0 3 315.417 2.414 20 30 DEEDHN Cc1csc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000393261977 337091969 /nfs/dbraw/zinc/09/19/69/337091969.db2.gz KORPQUNIOVQSGP-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000584508336 337352466 /nfs/dbraw/zinc/35/24/66/337352466.db2.gz UPXZYISQSRLOIF-RWMBFGLXSA-N 0 3 319.430 2.128 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000571986930 337585110 /nfs/dbraw/zinc/58/51/10/337585110.db2.gz XVUZBQQZEZAQFN-CABCVRRESA-N 0 3 318.421 2.070 20 30 DEEDHN N#CC1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCCC1 ZINC000572373615 337618824 /nfs/dbraw/zinc/61/88/24/337618824.db2.gz GFUZJLUYSXOHDC-LSDHHAIUSA-N 0 3 301.365 2.163 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001356921820 1152181841 /nfs/dbraw/zinc/18/18/41/1152181841.db2.gz VNBJBEMYKMIILV-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000496818773 340013803 /nfs/dbraw/zinc/01/38/03/340013803.db2.gz UVVABPAGDMDOGR-LSDHHAIUSA-N 0 3 321.421 2.396 20 30 DEEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@H]2COCCN2)cc1 ZINC000530224430 340783053 /nfs/dbraw/zinc/78/30/53/340783053.db2.gz RJZZTUQQGGZTPN-ZFWWWQNUSA-N 0 3 310.825 2.457 20 30 DEEDHN C=CCCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000547781474 341232348 /nfs/dbraw/zinc/23/23/48/341232348.db2.gz FNPFEFHFFHFZGS-SFHVURJKSA-N 0 3 302.418 2.096 20 30 DEEDHN COC1CCN(C2(CNC[C@@H](C#N)CCC#N)CCCC2)CC1 ZINC000548786991 341275599 /nfs/dbraw/zinc/27/55/99/341275599.db2.gz QLWFHAJGIHKXCU-MRXNPFEDSA-N 0 3 318.465 2.443 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000248462149 341378293 /nfs/dbraw/zinc/37/82/93/341378293.db2.gz XZDKPOPQIJAJJB-YCPHGPKFSA-N 0 3 300.406 2.108 20 30 DEEDHN Cc1cc([C@@H](NC[C@@H](O)CN(C)CCC#N)C2CC2)ccc1F ZINC000565594364 341532086 /nfs/dbraw/zinc/53/20/86/341532086.db2.gz VPVRYLVSSYXRAJ-AEFFLSMTSA-N 0 3 319.424 2.381 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001397172649 1160032222 /nfs/dbraw/zinc/03/22/22/1160032222.db2.gz XNFRIGHCBVGCSW-SOUVJXGZSA-N 0 3 314.857 2.430 20 30 DEEDHN COC(=O)c1cc(N=NC2CN(C3CC3)C[C@@H]2C)ccc1F ZINC000835012320 649866517 /nfs/dbraw/zinc/86/65/17/649866517.db2.gz RVOCLZXNTWKDRN-JTQLQIEISA-N 0 3 305.353 2.494 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cnoc1CC)C1CC1 ZINC001378395894 1152316132 /nfs/dbraw/zinc/31/61/32/1152316132.db2.gz DTLXRVUYDBVBDN-OAHLLOKOSA-N 0 3 311.813 2.478 20 30 DEEDHN CO[C@H](C)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001378434212 1152327206 /nfs/dbraw/zinc/32/72/06/1152327206.db2.gz KNIALBISUSURPV-KBRIMQKVSA-N 0 3 315.417 2.110 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001378434211 1152327085 /nfs/dbraw/zinc/32/70/85/1152327085.db2.gz KNIALBISUSURPV-JQFCIGGWSA-N 0 3 315.417 2.110 20 30 DEEDHN COCC(=O)NC[C@H]1CCCCCN1Cc1cccc(C#N)c1 ZINC001378446214 1152331937 /nfs/dbraw/zinc/33/19/37/1152331937.db2.gz UMTIPQKPMMKCGJ-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN CCCC[C@H](CNCc1cncs1)NC(=O)C#CC1CC1 ZINC001329875063 1149007212 /nfs/dbraw/zinc/00/72/12/1149007212.db2.gz DPOSPEWLDNBDFQ-CQSZACIVSA-N 0 3 305.447 2.321 20 30 DEEDHN CC(C)N(CCN(C)Cc1ccc(CO)cc1)C(=O)[C@@H](C)C#N ZINC001369517354 1149011456 /nfs/dbraw/zinc/01/14/56/1149011456.db2.gz VJQZAUYZEPRVHF-HNNXBMFYSA-N 0 3 317.433 2.007 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@H]1C ZINC001089071609 782148174 /nfs/dbraw/zinc/14/81/74/782148174.db2.gz NDZOGBZKGYXVJK-OAGGEKHMSA-N 0 3 304.438 2.216 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2csc(CC)n2)C1 ZINC001330084395 1149047788 /nfs/dbraw/zinc/04/77/88/1149047788.db2.gz GFMVSOSBZZEACD-GFCCVEGCSA-N 0 3 307.463 2.261 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)COC(C)C)C2)C1 ZINC001330147719 1149053804 /nfs/dbraw/zinc/05/38/04/1149053804.db2.gz KXNPIINGOVNPPC-WMZOPIPTSA-N 0 3 324.465 2.069 20 30 DEEDHN C[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)N1CCC[C@H](C)C1 ZINC000427924066 534051864 /nfs/dbraw/zinc/05/18/64/534051864.db2.gz NKSOLBTYQKHTMQ-RYUDHWBXSA-N 0 3 320.824 2.457 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)NCc2cncc(C)c2)C1 ZINC001330381963 1149103701 /nfs/dbraw/zinc/10/37/01/1149103701.db2.gz GVHPIEQEQWCYGP-NVXWUHKLSA-N 0 3 317.433 2.062 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000451671104 534571921 /nfs/dbraw/zinc/57/19/21/534571921.db2.gz FEWACLUJJNCMOI-VVLHAWIVSA-N 0 3 324.465 2.021 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000451599204 534606494 /nfs/dbraw/zinc/60/64/94/534606494.db2.gz OATFBSUNJKAHQN-NEPJUHHUSA-N 0 3 314.838 2.293 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccccc1)C(C)C ZINC000451598314 534607095 /nfs/dbraw/zinc/60/70/95/534607095.db2.gz KBZOCVFGHVOVHG-SJORKVTESA-N 0 3 302.418 2.357 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000451609258 534607601 /nfs/dbraw/zinc/60/76/01/534607601.db2.gz VHBBDVRTPJERJG-MSOLQXFVSA-N 0 3 314.429 2.419 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000451608397 534607800 /nfs/dbraw/zinc/60/78/00/534607800.db2.gz SAVYXAZUYXYGCQ-IMJJTQAJSA-N 0 3 318.417 2.148 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000190356605 526288515 /nfs/dbraw/zinc/28/85/15/526288515.db2.gz UMTFNEIATSTKTA-MRXNPFEDSA-N 0 3 305.422 2.133 20 30 DEEDHN CC#CCCN(CC)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292994551 526306948 /nfs/dbraw/zinc/30/69/48/526306948.db2.gz OITWMFAZHVSNBG-SFHVURJKSA-N 0 3 319.445 2.351 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000368196267 526429356 /nfs/dbraw/zinc/42/93/56/526429356.db2.gz ZVDZBADUSRIRIM-INIZCTEOSA-N 0 3 321.465 2.095 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CCO[C@H](C)C2)CC1 ZINC000334037954 526434002 /nfs/dbraw/zinc/43/40/02/526434002.db2.gz SQZIFAWIBBQFLQ-CABCVRRESA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C(C)C)nn2CC)CC1 ZINC000330648654 526446621 /nfs/dbraw/zinc/44/66/21/526446621.db2.gz IJCPOSPQQSJVGZ-UHFFFAOYSA-N 0 3 304.438 2.407 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246535423 526524116 /nfs/dbraw/zinc/52/41/16/526524116.db2.gz JOMWOCZONGBPFD-WMZOPIPTSA-N 0 3 319.493 2.360 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000330655576 526576309 /nfs/dbraw/zinc/57/63/09/526576309.db2.gz OEHFFBGHOZUSOQ-CYBMUJFWSA-N 0 3 319.453 2.334 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CSc2ccncc2)CC1 ZINC000106039830 526583512 /nfs/dbraw/zinc/58/35/12/526583512.db2.gz ZCLJHKIQUQYPAQ-UHFFFAOYSA-N 0 3 305.447 2.330 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2OC)CC1 ZINC000341087995 526596134 /nfs/dbraw/zinc/59/61/34/526596134.db2.gz JKIXENYMMQSEFM-JKSUJKDBSA-N 0 3 309.454 2.284 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000364810089 526635080 /nfs/dbraw/zinc/63/50/80/526635080.db2.gz YROQVSHOEIODMV-BBRMVZONSA-N 0 3 319.792 2.307 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000438058319 526830249 /nfs/dbraw/zinc/83/02/49/526830249.db2.gz RLSXZWDUMSIMPO-HUUCEWRRSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCCN(CC)CC2)cc1 ZINC000294668495 526856173 /nfs/dbraw/zinc/85/61/73/526856173.db2.gz QYRIJRDAEVACGJ-UHFFFAOYSA-N 0 3 302.418 2.348 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000418162962 526877909 /nfs/dbraw/zinc/87/79/09/526877909.db2.gz GYDWEMSPUWZGHF-KGLIPLIRSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000418162961 526878250 /nfs/dbraw/zinc/87/82/50/526878250.db2.gz GYDWEMSPUWZGHF-KBPBESRZSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000341261542 526889956 /nfs/dbraw/zinc/88/99/56/526889956.db2.gz GOFUWUOQZZJWEW-AEFFLSMTSA-N 0 3 300.402 2.398 20 30 DEEDHN C#CCN(CC)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000368386997 526893447 /nfs/dbraw/zinc/89/34/47/526893447.db2.gz CRZSEPHQYRZQPI-VXGBXAGGSA-N 0 3 304.356 2.377 20 30 DEEDHN C=CCC(C)(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000292934625 526994651 /nfs/dbraw/zinc/99/46/51/526994651.db2.gz XFGQBHVNERUBOL-QGZVFWFLSA-N 0 3 316.445 2.472 20 30 DEEDHN C#CCOc1ccc(CNCCNC(=O)[C@@H](C)CCC)cc1 ZINC000292619607 527103399 /nfs/dbraw/zinc/10/33/99/527103399.db2.gz IQMBMDIVLJJHQN-HNNXBMFYSA-N 0 3 302.418 2.341 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000372485294 527122165 /nfs/dbraw/zinc/12/21/65/527122165.db2.gz QSWOSJHINVGZHN-KURKYZTESA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCCCCCN(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440993249 527122823 /nfs/dbraw/zinc/12/28/23/527122823.db2.gz QIPMRGZSDSVEOI-UHFFFAOYSA-N 0 3 324.513 2.400 20 30 DEEDHN CC(C)(CNCc1ccc(C#N)cc1F)C1(O)CCOCC1 ZINC000418125084 527172052 /nfs/dbraw/zinc/17/20/52/527172052.db2.gz IOPJENBVEZZDDL-UHFFFAOYSA-N 0 3 306.381 2.355 20 30 DEEDHN CC(=O)c1ccc(C#N)c(N2CCN(c3ccncc3)CC2)c1 ZINC000302114110 527223100 /nfs/dbraw/zinc/22/31/00/527223100.db2.gz QUWVIABMLOWQGU-UHFFFAOYSA-N 0 3 306.369 2.482 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000372016619 527452441 /nfs/dbraw/zinc/45/24/41/527452441.db2.gz GROHIPIFGQHXAE-OAHLLOKOSA-N 0 3 320.408 2.347 20 30 DEEDHN Cn1ccnc1[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000365644661 527467575 /nfs/dbraw/zinc/46/75/75/527467575.db2.gz XXMHVIWUGQDQQS-IRXDYDNUSA-N 0 3 310.401 2.205 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000373140529 527609311 /nfs/dbraw/zinc/60/93/11/527609311.db2.gz NFMKQXKHYREKMB-DLBZAZTESA-N 0 3 306.450 2.326 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc(C)nn1C)C(C)C ZINC000422082300 527645353 /nfs/dbraw/zinc/64/53/53/527645353.db2.gz FFJBEZLJLJFQDH-KRWDZBQOSA-N 0 3 318.465 2.086 20 30 DEEDHN CCCCCCCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000371512595 528117486 /nfs/dbraw/zinc/11/74/86/528117486.db2.gz UWYAUNHDLQXKMX-INIZCTEOSA-N 0 3 323.481 2.288 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000330787640 528855478 /nfs/dbraw/zinc/85/54/78/528855478.db2.gz XKZRJXUQAYTWEJ-SUMWQHHRSA-N 0 3 317.437 2.032 20 30 DEEDHN CCN1CCC(NC(=O)N2CCC[C@]2(CO)CC(C)C)CC1 ZINC000331013408 528958331 /nfs/dbraw/zinc/95/83/31/528958331.db2.gz KJZWCNJWPCKGAX-QGZVFWFLSA-N 0 3 311.470 2.258 20 30 DEEDHN CC(C)N1CC[C@H](NCc2ccc(N(C)CCC#N)cc2)C1=O ZINC000114774802 529082672 /nfs/dbraw/zinc/08/26/72/529082672.db2.gz LOBREVUKAXHKCY-KRWDZBQOSA-N 0 3 314.433 2.135 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)NCC(C)(C)CC#N)cc1 ZINC000457542626 536006869 /nfs/dbraw/zinc/00/68/69/536006869.db2.gz YQRPDRRLVAPQCJ-UHFFFAOYSA-N 0 3 302.422 2.487 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1nn(C)cc1Cl)C(C)C ZINC001378956486 1152504951 /nfs/dbraw/zinc/50/49/51/1152504951.db2.gz UJNUJTXOROFZDR-LLVKDONJSA-N 0 3 319.236 2.170 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000835061482 649873813 /nfs/dbraw/zinc/87/38/13/649873813.db2.gz LTEOXUQREXXWCC-KGLIPLIRSA-N 0 3 304.346 2.158 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)CC2CC2)cc1C#N ZINC001379068518 1152555951 /nfs/dbraw/zinc/55/59/51/1152555951.db2.gz STRJKUOKIBGLQM-ZDUSSCGKSA-N 0 3 315.417 2.303 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001368808016 1148677695 /nfs/dbraw/zinc/67/76/95/1148677695.db2.gz SALCUBRJMKFGOT-CABCVRRESA-N 0 3 315.889 2.248 20 30 DEEDHN Cc1ncc(CN2CC[C@H](NC(=O)[C@H](C)C#N)CC(C)(C)C2)o1 ZINC001368824572 1148692275 /nfs/dbraw/zinc/69/22/75/1148692275.db2.gz GKCJDWHIGNWUSS-OCCSQVGLSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001368815539 1148685330 /nfs/dbraw/zinc/68/53/30/1148685330.db2.gz NPUIFLSMKJAAFV-CYBMUJFWSA-N 0 3 324.856 2.363 20 30 DEEDHN C[C@@H]([NH2+]CCCSCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824594034 608468401 /nfs/dbraw/zinc/46/84/01/608468401.db2.gz VZVLDPIBJVBWGF-LLVKDONJSA-N 0 3 302.407 2.164 20 30 DEEDHN C[C@@H]([NH2+]CCCSCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824594034 608468402 /nfs/dbraw/zinc/46/84/02/608468402.db2.gz VZVLDPIBJVBWGF-LLVKDONJSA-N 0 3 302.407 2.164 20 30 DEEDHN COc1ccc(C[NH+]2CCC(CC#N)CC2)cc1-c1nnn[n-]1 ZINC000826194031 609409933 /nfs/dbraw/zinc/40/99/33/609409933.db2.gz YCLMBKJJFCHLBE-UHFFFAOYSA-N 0 3 312.377 2.001 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001025225831 625283735 /nfs/dbraw/zinc/28/37/35/625283735.db2.gz HGOIXMHXMYZLDV-IRXDYDNUSA-N 0 3 313.445 2.426 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH]nc1CC ZINC001025243202 625303006 /nfs/dbraw/zinc/30/30/06/625303006.db2.gz ARFFGWXQJAECRJ-IRXDYDNUSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001023519433 625306764 /nfs/dbraw/zinc/30/67/64/625306764.db2.gz BUUHBTBXYDJUPZ-OAHLLOKOSA-N 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CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnn2CCC)C1 ZINC001025430759 625430326 /nfs/dbraw/zinc/43/03/26/625430326.db2.gz HYAMHUXRPNSRHP-CVEARBPZSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001025435829 625432469 /nfs/dbraw/zinc/43/24/69/625432469.db2.gz HTXLLYLCEABEKR-OCCSQVGLSA-N 0 3 321.371 2.483 20 30 DEEDHN Cc1conc1C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972684082 625438689 /nfs/dbraw/zinc/43/86/89/625438689.db2.gz LPACSWKBSSOXBF-INIZCTEOSA-N 0 3 324.384 2.201 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001025449673 625445423 /nfs/dbraw/zinc/44/54/23/625445423.db2.gz XAOWUYQKBINVIG-DZGCQCFKSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001025467795 625461725 /nfs/dbraw/zinc/46/17/25/625461725.db2.gz DAWKHYRAQORJMN-HUUCEWRRSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cncc3[nH]ccc32)C1 ZINC001025467933 625462052 /nfs/dbraw/zinc/46/20/52/625462052.db2.gz GJDUQUMGKDGXIP-CABCVRRESA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(COC)c2)C1 ZINC001025474164 625466292 /nfs/dbraw/zinc/46/62/92/625466292.db2.gz IXHGXMMJMBDDMY-MAUKXSAKSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ncc(Cl)s2)C1 ZINC001025479342 625470581 /nfs/dbraw/zinc/47/05/81/625470581.db2.gz XJYYOUDYRNGQOE-MNOVXSKESA-N 0 3 311.838 2.260 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001023893537 625471798 /nfs/dbraw/zinc/47/17/98/625471798.db2.gz QZYMEYDOANWRNI-STQMWFEESA-N 0 3 321.371 2.453 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)ccc2OC)C1 ZINC001025480303 625473591 /nfs/dbraw/zinc/47/35/91/625473591.db2.gz SQPGCZNIHGMOOR-HZPDHXFCSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccn(C)c2CC)C1 ZINC001025531830 625512937 /nfs/dbraw/zinc/51/29/37/625512937.db2.gz UDFIVBYALUAUTR-HOTGVXAUSA-N 0 3 315.461 2.441 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ocnc2C2CC2)C1 ZINC001025526769 625508559 /nfs/dbraw/zinc/50/85/59/625508559.db2.gz BFHKOJFGSOXALV-JSGCOSHPSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnnc3ccccc32)C1 ZINC001025540210 625523905 /nfs/dbraw/zinc/52/39/05/625523905.db2.gz TUMQOSQWGNIHRK-CABCVRRESA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2nc(C)oc2C)C1 ZINC001025574042 625578692 /nfs/dbraw/zinc/57/86/92/625578692.db2.gz QFOYQSUZHILTMP-WFASDCNBSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC000969164984 622598922 /nfs/dbraw/zinc/59/89/22/622598922.db2.gz PQOVTPUNNXVLKA-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC000969170850 622602784 /nfs/dbraw/zinc/60/27/84/622602784.db2.gz QKNRVWVVJCXTHH-DLBZAZTESA-N 0 3 318.461 2.187 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C2)s1 ZINC000969375907 622723199 /nfs/dbraw/zinc/72/31/99/622723199.db2.gz 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DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(OC)cc2)C1 ZINC001025606840 625630280 /nfs/dbraw/zinc/63/02/80/625630280.db2.gz GHBNUGVFOCYJPC-HOCLYGCPSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(N(C)C)c2)C1 ZINC001025605113 625632766 /nfs/dbraw/zinc/63/27/66/625632766.db2.gz ACVFJCHQHGTCOL-NVXWUHKLSA-N 0 3 313.445 2.216 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ncccc2OC(C)C)C1 ZINC001020994792 623249953 /nfs/dbraw/zinc/24/99/53/623249953.db2.gz OKBIRWHMDCISCJ-JOCQHMNTSA-N 0 3 323.824 2.472 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001021000183 623257168 /nfs/dbraw/zinc/25/71/68/623257168.db2.gz VSLKWLJBAAAROU-SHTZXODSSA-N 0 3 319.836 2.282 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC001021067709 623329521 /nfs/dbraw/zinc/32/95/21/623329521.db2.gz ULDDTKXHFMRGPE-XYPYZODXSA-N 0 3 304.781 2.166 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2OC)C1 ZINC000970338578 623405499 /nfs/dbraw/zinc/40/54/99/623405499.db2.gz 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ZINC000179670354 625823551 /nfs/dbraw/zinc/82/35/51/625823551.db2.gz FNPSBXIYNWGELO-UHFFFAOYSA-N 0 3 303.406 2.031 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001027699594 634454181 /nfs/dbraw/zinc/45/41/81/634454181.db2.gz GGBJHQQOGNZQDG-SJORKVTESA-N 0 3 318.392 2.069 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)c3ccccn3)C2)c(F)c1 ZINC001019932805 625850899 /nfs/dbraw/zinc/85/08/99/625850899.db2.gz KRCNLIZPUSITHW-SHTZXODSSA-N 0 3 324.359 2.143 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4ccsc43)[C@@H]2C1 ZINC000978937200 634458526 /nfs/dbraw/zinc/45/85/26/634458526.db2.gz VMFSIMXHGLHGSU-PHZGNYQRSA-N 0 3 310.422 2.442 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H](C)CO2)cc1 ZINC000892490450 625885834 /nfs/dbraw/zinc/88/58/34/625885834.db2.gz TWLIOVDIUGOJQO-NILFDRSVSA-N 0 3 300.358 2.321 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001024587527 625910776 /nfs/dbraw/zinc/91/07/76/625910776.db2.gz KXZKQSPGSXCHJM-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CCCCN2CCCF)c1 ZINC001024644328 625949525 /nfs/dbraw/zinc/94/95/25/625949525.db2.gz OSTQAGGUCYRCTQ-INIZCTEOSA-N 0 3 303.381 2.007 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)CCC=C4)[C@@H]2C1 ZINC000978980281 634470263 /nfs/dbraw/zinc/47/02/63/634470263.db2.gz ZSPBWMHGVKJEHS-LDLYASANSA-N 0 3 306.409 2.187 20 30 DEEDHN N#CCOc1ccc(CN2CCC[C@@H]2CNC(=O)C2CC2)cc1 ZINC001027709573 634474207 /nfs/dbraw/zinc/47/42/07/634474207.db2.gz VYCHTEYBJFJFRX-MRXNPFEDSA-N 0 3 313.401 2.080 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC000979025657 634480074 /nfs/dbraw/zinc/48/00/74/634480074.db2.gz CGOHYISZYYAXIW-CNDDSTCGSA-N 0 3 308.328 2.148 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999252549 634531922 /nfs/dbraw/zinc/53/19/22/634531922.db2.gz XHQYROZCBJZCMI-ZDUSSCGKSA-N 0 3 324.856 2.279 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(c3cccnc3)CC2)C1 ZINC000999290594 634551630 /nfs/dbraw/zinc/55/16/30/634551630.db2.gz MXHZHOKAZXESRO-UHFFFAOYSA-N 0 3 319.836 2.445 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)c2cnn(C)c2)C1 ZINC000999626712 634649006 /nfs/dbraw/zinc/64/90/06/634649006.db2.gz VHAWZVNDCJRDQG-UHFFFAOYSA-N 0 3 324.856 2.029 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnccc2N(C)C)C1 ZINC000999698427 634658059 /nfs/dbraw/zinc/65/80/59/634658059.db2.gz GIKGNEPKMVHVGF-UHFFFAOYSA-N 0 3 322.840 2.093 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2c(C)noc2C)C1 ZINC000999816803 634680633 /nfs/dbraw/zinc/68/06/33/634680633.db2.gz WYCPQJVMBIVFLK-UHFFFAOYSA-N 0 3 311.813 2.165 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccc(C)nc2)C1 ZINC000999834952 634692025 /nfs/dbraw/zinc/69/20/25/634692025.db2.gz AQTPMYOPDWAQIH-UHFFFAOYSA-N 0 3 307.825 2.264 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccnn3C)C[C@@H]2C1 ZINC000979592388 634706505 /nfs/dbraw/zinc/70/65/05/634706505.db2.gz BDYSFYOMTBZUQN-MJBXVCDLSA-N 0 3 322.840 2.003 20 30 DEEDHN CC#CC[NH+]1CCC(C2(NC(=O)c3ccccc3[O-])CC2)CC1 ZINC001000083384 634735173 /nfs/dbraw/zinc/73/51/73/634735173.db2.gz KZCSBIQLKGTLQU-UHFFFAOYSA-N 0 3 312.413 2.390 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000836324189 650079473 /nfs/dbraw/zinc/07/94/73/650079473.db2.gz LCUUAERADPTBBE-MRXNPFEDSA-N 0 3 317.433 2.017 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C#C)c1ccc(Cl)cc1 ZINC000836463871 650094546 /nfs/dbraw/zinc/09/45/46/650094546.db2.gz JVQGTWMIPHOZPH-INIZCTEOSA-N 0 3 317.820 2.269 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C(C)(C)C)nc2)[C@H](C)C1 ZINC000945808357 633005383 /nfs/dbraw/zinc/00/53/83/633005383.db2.gz OLSLXFXDQMWUAF-HIFRSBDPSA-N 0 3 316.449 2.400 20 30 DEEDHN C#CCOCCC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000186139522 633098794 /nfs/dbraw/zinc/09/87/94/633098794.db2.gz XMOJSFVGXXWROV-GOSISDBHSA-N 0 3 316.445 2.299 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000974577856 633156113 /nfs/dbraw/zinc/15/61/13/633156113.db2.gz OFHDHZKPFOBONT-HNNXBMFYSA-N 0 3 307.482 2.264 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C(C)(C)C1 ZINC000974624297 633189320 /nfs/dbraw/zinc/18/93/20/633189320.db2.gz KXOUPRHQFOMLTK-ZDUSSCGKSA-N 0 3 324.375 2.050 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](NCc2cn(C)nc2C)C(C)(C)C1 ZINC000996141455 633196029 /nfs/dbraw/zinc/19/60/29/633196029.db2.gz XMGPUXKCEUPGAA-OAHLLOKOSA-N 0 3 318.465 2.267 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](NCc2cnc(C)nc2)C(C)(C)C1 ZINC000996136796 633203631 /nfs/dbraw/zinc/20/36/31/633203631.db2.gz KFMGDJQFFLDUJY-OAHLLOKOSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C(C)(C)C1 ZINC000974661687 633207891 /nfs/dbraw/zinc/20/78/91/633207891.db2.gz IBAJBIMJXFPSLM-OAHLLOKOSA-N 0 3 315.417 2.291 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C(C)(C)C1 ZINC000974652658 633210363 /nfs/dbraw/zinc/21/03/63/633210363.db2.gz OSLVFQCVHDOWHW-LBPRGKRZSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(OC)c(F)c2)C(C)(C)C1 ZINC000974691839 633243262 /nfs/dbraw/zinc/24/32/62/633243262.db2.gz LJNUKOQWDUCKDS-INIZCTEOSA-N 0 3 318.392 2.298 20 30 DEEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000733680762 633261736 /nfs/dbraw/zinc/26/17/36/633261736.db2.gz GBLYCDDJZFRSMA-IPYPFGDCSA-N 0 3 315.373 2.324 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2nc(C)sc2C)C(C)(C)C1 ZINC000974735072 633271987 /nfs/dbraw/zinc/27/19/87/633271987.db2.gz LSMTYPZPBRYTFX-HNNXBMFYSA-N 0 3 319.474 2.152 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccnc2C2CC2)C(C)(C)C1 ZINC000974767736 633293232 /nfs/dbraw/zinc/29/32/32/633293232.db2.gz QSACQRKJGSGKEE-INIZCTEOSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000974808648 633308404 /nfs/dbraw/zinc/30/84/04/633308404.db2.gz PUDPGOOZBJYEAF-CABCVRRESA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)C(C)(C)C1 ZINC000974823227 633318881 /nfs/dbraw/zinc/31/88/81/633318881.db2.gz QDWRMGKPOJUXME-MRXNPFEDSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cn3ccnc23)C(C)(C)C1 ZINC000974877946 633346544 /nfs/dbraw/zinc/34/65/44/633346544.db2.gz KRTILPTVLRLYPT-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN([C@@H](C)COC)CC2(C)C)cc1 ZINC000974928057 633371899 /nfs/dbraw/zinc/37/18/99/633371899.db2.gz BAYYYVZNTDVSKX-YOEHRIQHSA-N 0 3 314.429 2.143 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)c1 ZINC000975011500 633390364 /nfs/dbraw/zinc/39/03/64/633390364.db2.gz MAQMPDMYBLWBJG-KRWDZBQOSA-N 0 3 311.429 2.469 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000975040196 633394052 /nfs/dbraw/zinc/39/40/52/633394052.db2.gz SKYQMNOGGXQDQJ-NVXWUHKLSA-N 0 3 313.445 2.199 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001027089333 633430182 /nfs/dbraw/zinc/43/01/82/633430182.db2.gz VJZXDRYPXLFCHF-WMLDXEAASA-N 0 3 309.413 2.296 20 30 DEEDHN C(=NOCC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000735488111 633512993 /nfs/dbraw/zinc/51/29/93/633512993.db2.gz CTKVFJTUDBNXNJ-UHFFFAOYSA-N 0 3 304.390 2.300 20 30 DEEDHN COc1ccc(CN(C)[C@H]2CCCN(C(C)=O)C2)cc1C#N ZINC001027255871 633522647 /nfs/dbraw/zinc/52/26/47/633522647.db2.gz QRLSVRMFLMQIAG-INIZCTEOSA-N 0 3 301.390 2.010 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996956355 633538594 /nfs/dbraw/zinc/53/85/94/633538594.db2.gz MOEYBFSTZZSULY-SJCJKPOMSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(Cl)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000736245063 633582502 /nfs/dbraw/zinc/58/25/02/633582502.db2.gz FRIXYLSWAQZCNN-UHFFFAOYSA-N 0 3 321.852 2.458 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2occ3c2CCC3)CC1 ZINC000997250387 633685057 /nfs/dbraw/zinc/68/50/57/633685057.db2.gz NPBZSUNGXYJZEI-CYBMUJFWSA-N 0 3 300.402 2.232 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000997281404 633696040 /nfs/dbraw/zinc/69/60/40/633696040.db2.gz VDSGNQWFAQAJEB-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C=C1CCC(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000921599511 633739025 /nfs/dbraw/zinc/73/90/25/633739025.db2.gz XUFUUHRKQVORLT-INIZCTEOSA-N 0 3 312.479 2.138 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c[nH]c3cccnc32)CC1 ZINC000997387546 633751739 /nfs/dbraw/zinc/75/17/39/633751739.db2.gz OJRYFUNMOUKAJG-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3nccn3c2)CC1 ZINC000997388442 633752064 /nfs/dbraw/zinc/75/20/64/633752064.db2.gz YUEQLDVDBCXINH-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cncnc2C(C)C)CC1 ZINC000997428075 633761419 /nfs/dbraw/zinc/76/14/19/633761419.db2.gz VSFRAHQZYKBNOI-CQSZACIVSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000946178776 633785410 /nfs/dbraw/zinc/78/54/10/633785410.db2.gz MQACEABHFOEXEM-WBMJQRKESA-N 0 3 313.376 2.380 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c(C)noc2C)CC1 ZINC000997479873 633798525 /nfs/dbraw/zinc/79/85/25/633798525.db2.gz NDJRSGBTBGNDAR-LBPRGKRZSA-N 0 3 303.406 2.145 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(F)nc2)CC1 ZINC000997509908 633817619 /nfs/dbraw/zinc/81/76/19/633817619.db2.gz VDHNIDXHIXQTBU-ZDUSSCGKSA-N 0 3 303.381 2.074 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccncc2F)CC1 ZINC000997526253 633826040 /nfs/dbraw/zinc/82/60/40/633826040.db2.gz KAELGSOSYWKOLX-ZDUSSCGKSA-N 0 3 303.381 2.074 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001027466665 633836086 /nfs/dbraw/zinc/83/60/86/633836086.db2.gz XGMFTKOMUPMANH-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001027498287 633896073 /nfs/dbraw/zinc/89/60/73/633896073.db2.gz WYLUTRIOMOGKKB-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccncc2CC)CC1 ZINC000997643878 633907814 /nfs/dbraw/zinc/90/78/14/633907814.db2.gz GGWPCHVHDOUFKZ-HNNXBMFYSA-N 0 3 313.445 2.498 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc(CCC)[nH]c(=O)c2)C(C)(C)C1 ZINC000977287244 633912126 /nfs/dbraw/zinc/91/21/26/633912126.db2.gz RTXKYAOPYOBZLP-HNNXBMFYSA-N 0 3 317.433 2.366 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000977345271 633935115 /nfs/dbraw/zinc/93/51/15/633935115.db2.gz IMVKWKVSLUDWOS-KRWDZBQOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(CCC)nc2C)C(C)(C)C1 ZINC000977374148 633949242 /nfs/dbraw/zinc/94/92/42/633949242.db2.gz BFYRDKHPRNIWCC-MRXNPFEDSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(OC)cc2C)CC1 ZINC000997732979 633955379 /nfs/dbraw/zinc/95/53/79/633955379.db2.gz VUQDSQSNGCQBEE-HNNXBMFYSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000997787685 633977623 /nfs/dbraw/zinc/97/76/23/633977623.db2.gz YPWOVVYDLMLTFD-VVHHDAOASA-N 0 3 322.452 2.422 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(CCC)CC1(C)C ZINC000977443359 633987970 /nfs/dbraw/zinc/98/79/70/633987970.db2.gz ZZBIZRCRRZNPHJ-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(C)C)CC1(C)C ZINC000977441175 633997305 /nfs/dbraw/zinc/99/73/05/633997305.db2.gz RJUUZAPWRHCRTH-OAHLLOKOSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2CC3(C2)CCOCC3)C(C)(C)C1 ZINC000977458185 633998385 /nfs/dbraw/zinc/99/83/85/633998385.db2.gz BNFNWSGTYSVZEX-MRXNPFEDSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2csc(Cl)n2)CC1 ZINC000997822403 634000821 /nfs/dbraw/zinc/00/08/21/634000821.db2.gz QPEMPYLWUXXARY-JTQLQIEISA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2coc(C3CCC3)n2)CC1 ZINC000997826420 634001956 /nfs/dbraw/zinc/00/19/56/634001956.db2.gz PRLBLOWAYDQLSF-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC[C@@H](C)F)CC2(C)C)nc1 ZINC000977519370 634015032 /nfs/dbraw/zinc/01/50/32/634015032.db2.gz YGUHDYAUKOBNNK-CZUORRHYSA-N 0 3 317.408 2.251 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(OC)cc2)C(C)(C)C1 ZINC000977520396 634016241 /nfs/dbraw/zinc/01/62/41/634016241.db2.gz MEWUMOIIZNBVHJ-QGZVFWFLSA-N 0 3 314.429 2.088 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000997886438 634020747 /nfs/dbraw/zinc/02/07/47/634020747.db2.gz IZKRKDNONQEJNZ-RDJZCZTQSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)COC3)C(C)(C)C1 ZINC000977522324 634025096 /nfs/dbraw/zinc/02/50/96/634025096.db2.gz QRGINDHKMSEJLN-QGZVFWFLSA-N 0 3 314.429 2.272 20 30 DEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2snnc2C)CC1 ZINC000997920832 634058690 /nfs/dbraw/zinc/05/86/90/634058690.db2.gz LIEZLLSYKRDAGO-CYBMUJFWSA-N 0 3 308.451 2.349 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(C)c2C2CC2)C(C)(C)C1 ZINC000977640244 634077280 /nfs/dbraw/zinc/07/72/80/634077280.db2.gz AWSBTTVEEJURJK-HNNXBMFYSA-N 0 3 316.449 2.314 20 30 DEEDHN C#CCOc1ccc(CNC(=O)[C@@H]2CCCN2CCC)cc1 ZINC000836869123 650138889 /nfs/dbraw/zinc/13/88/89/650138889.db2.gz SJZAYTMAKQZGKM-KRWDZBQOSA-N 0 3 300.402 2.189 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)CSC)CC[C@@H]2C1 ZINC000946469419 634144451 /nfs/dbraw/zinc/14/44/51/634144451.db2.gz XQHBGNLJZFIGGV-BETUJISGSA-N 0 3 302.871 2.272 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000998231879 634177786 /nfs/dbraw/zinc/17/77/86/634177786.db2.gz LQCTWFAJOBVRQJ-RKDXNWHRSA-N 0 3 318.261 2.494 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)CC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000998231878 634178164 /nfs/dbraw/zinc/17/81/64/634178164.db2.gz LQCTWFAJOBVRQJ-IUCAKERBSA-N 0 3 318.261 2.494 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ocnc2C)CC[C@H]1C(F)(F)F ZINC000998251858 634188883 /nfs/dbraw/zinc/18/88/83/634188883.db2.gz RWLOQOJSJQLTRR-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(F)c[nH]2)CC[C@H]1C(F)(F)F ZINC000998277393 634196768 /nfs/dbraw/zinc/19/67/68/634196768.db2.gz CUHPSUXQYZPICR-ZYHUDNBSSA-N 0 3 319.302 2.322 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 ZINC001027594944 634239180 /nfs/dbraw/zinc/23/91/80/634239180.db2.gz RGMWRQQCXRHMQE-AWEZNQCLSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(Cl)c3C)[C@@H]2C1 ZINC000978216433 634245881 /nfs/dbraw/zinc/24/58/81/634245881.db2.gz 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ZINC001028015045 635251035 /nfs/dbraw/zinc/25/10/35/635251035.db2.gz TYHGYVOBQKCGLQ-GFCCVEGCSA-N 0 3 307.344 2.237 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001028018325 635258961 /nfs/dbraw/zinc/25/89/61/635258961.db2.gz RAJCSMAOHYHQSK-UKRRQHHQSA-N 0 3 318.392 2.458 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC001000714621 635285857 /nfs/dbraw/zinc/28/58/57/635285857.db2.gz FRWPURYIMYBJOC-CYBMUJFWSA-N 0 3 322.840 2.094 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC001000766647 635290564 /nfs/dbraw/zinc/29/05/64/635290564.db2.gz IVJUJXAEIAHUFT-UHFFFAOYSA-N 0 3 313.401 2.213 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(OC(C)C)nc2)CC1 ZINC001000758784 635298616 /nfs/dbraw/zinc/29/86/16/635298616.db2.gz ZZBIUNQMMKPCON-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001028030572 635306033 /nfs/dbraw/zinc/30/60/33/635306033.db2.gz DRAJGUSVHAMYMM-GFCCVEGCSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001028054493 635385326 /nfs/dbraw/zinc/38/53/26/635385326.db2.gz CFLJOMFPTFAZCN-ZDUSSCGKSA-N 0 3 314.389 2.220 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn(C)nc2C(F)F)CC1 ZINC000981350738 635449175 /nfs/dbraw/zinc/44/91/75/635449175.db2.gz UREVFPOTSNTPKO-UHFFFAOYSA-N 0 3 312.364 2.082 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@H](C)c2c(C)noc2C)CC1 ZINC000981473882 635496920 /nfs/dbraw/zinc/49/69/20/635496920.db2.gz MKZLLJUVVDKXHQ-AWEZNQCLSA-N 0 3 317.433 2.343 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnc3cc(C)ccn23)CC1 ZINC001001435654 635498478 /nfs/dbraw/zinc/49/84/78/635498478.db2.gz JUDWZCXFEWKXNI-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(OC(C)C)cn2)CC1 ZINC001001504713 635514397 /nfs/dbraw/zinc/51/43/97/635514397.db2.gz QBXNKKUDNQOPOW-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000981522615 635515487 /nfs/dbraw/zinc/51/54/87/635515487.db2.gz DEAIYRNAQNYLDG-UHFFFAOYSA-N 0 3 304.438 2.362 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2CCN(C[C@@H](F)CC)CC2)c1 ZINC001001813146 635558186 /nfs/dbraw/zinc/55/81/86/635558186.db2.gz UULZAVPEEWFKFS-KRWDZBQOSA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc(OC)c2F)CC1 ZINC001001958175 635582217 /nfs/dbraw/zinc/58/22/17/635582217.db2.gz XWBQFJMUWHXKPZ-UHFFFAOYSA-N 0 3 318.392 2.299 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3c(c2)COC3)CC1 ZINC001001936438 635583438 /nfs/dbraw/zinc/58/34/38/635583438.db2.gz ZQFRXYNSHBHHBO-UHFFFAOYSA-N 0 3 312.413 2.182 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnoc2-c2ccccc2)CC1 ZINC001001993745 635597739 /nfs/dbraw/zinc/59/77/39/635597739.db2.gz AFARIPLNMWGHJK-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000981731736 635614850 /nfs/dbraw/zinc/61/48/50/635614850.db2.gz NDJDDEWYCQOSCZ-GOSISDBHSA-N 0 3 314.429 2.411 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3[nH]cnc3C(C)(C)C)C2)C1 ZINC000981776850 635640880 /nfs/dbraw/zinc/64/08/80/635640880.db2.gz YQYAGVZOONOBRG-UHFFFAOYSA-N 0 3 316.449 2.431 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3n[nH]c(CC)c3Cl)C2)C1 ZINC000981817011 635669430 /nfs/dbraw/zinc/66/94/30/635669430.db2.gz MNBWAHZRMVOSEF-UHFFFAOYSA-N 0 3 322.840 2.350 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC000981837954 635682028 /nfs/dbraw/zinc/68/20/28/635682028.db2.gz ZITNCSCCDYGHSH-UHFFFAOYSA-N 0 3 305.422 2.065 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cn4ccc(C)cc4n3)C2)C1 ZINC000981875404 635706329 /nfs/dbraw/zinc/70/63/29/635706329.db2.gz LWJTUNBGTITQMR-UHFFFAOYSA-N 0 3 324.428 2.367 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 ZINC000981891864 635713384 /nfs/dbraw/zinc/71/33/84/635713384.db2.gz VCMPJSPAMZMEQM-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cccc4[nH]ncc43)C2)C1 ZINC000981927887 635736051 /nfs/dbraw/zinc/73/60/51/635736051.db2.gz RJKUNLXQIUANOI-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2nsc3ccccc32)C1 ZINC001016316766 635739852 /nfs/dbraw/zinc/73/98/52/635739852.db2.gz QTKKUPJDPAIPAO-ZDUSSCGKSA-N 0 3 313.426 2.053 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001028167790 635764453 /nfs/dbraw/zinc/76/44/53/635764453.db2.gz AGWHWVBQZBJODA-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)[nH]c1=O ZINC001028182063 635784989 /nfs/dbraw/zinc/78/49/89/635784989.db2.gz MKTJCVWVZICZHN-CYBMUJFWSA-N 0 3 303.406 2.291 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C(F)F)n[nH]3)C2)C1 ZINC000982005283 635807414 /nfs/dbraw/zinc/80/74/14/635807414.db2.gz MAMCCKNWXFESAA-UHFFFAOYSA-N 0 3 310.348 2.071 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(CCC)on3)C2)C1 ZINC000982096644 635866353 /nfs/dbraw/zinc/86/63/53/635866353.db2.gz MKHXQJJGTZMHPK-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3csc(C)n3)C2)C1 ZINC000982141918 635886819 /nfs/dbraw/zinc/88/68/19/635886819.db2.gz YFCJXSNMLZQOPX-UHFFFAOYSA-N 0 3 305.447 2.104 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cc(Cl)c[nH]3)C[C@]2(C)C1 ZINC000982207239 635907184 /nfs/dbraw/zinc/90/71/84/635907184.db2.gz JPFYFBNJOSLUBE-CALCHBBNSA-N 0 3 319.836 2.475 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 ZINC000982266244 635931841 /nfs/dbraw/zinc/93/18/41/635931841.db2.gz FPDVUOOOCCOAAV-SFHVURJKSA-N 0 3 314.429 2.491 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cc(C)sn3)C[C@]2(C)C1 ZINC000982269408 635933597 /nfs/dbraw/zinc/93/35/97/635933597.db2.gz XKJOCWGSCSFDAX-CALCHBBNSA-N 0 3 317.458 2.259 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ncc(F)cc3F)C[C@]2(C)C1 ZINC000982307819 635960880 /nfs/dbraw/zinc/96/08/80/635960880.db2.gz BEJBLMGHWGATSA-CALCHBBNSA-N 0 3 321.371 2.330 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001028266329 635984673 /nfs/dbraw/zinc/98/46/73/635984673.db2.gz UIBNHXUSTAUXHF-LBPRGKRZSA-N 0 3 316.361 2.100 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028268457 635987115 /nfs/dbraw/zinc/98/71/15/635987115.db2.gz TVERYQYJYHZTMW-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001028278147 636012958 /nfs/dbraw/zinc/01/29/58/636012958.db2.gz GCVBMEDJGLMFSN-CQSZACIVSA-N 0 3 311.385 2.354 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC001028298318 636117645 /nfs/dbraw/zinc/11/76/45/636117645.db2.gz RWKWLCBHDAUPNP-AWEZNQCLSA-N 0 3 312.369 2.173 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001028336782 636136976 /nfs/dbraw/zinc/13/69/76/636136976.db2.gz LKMMCORJJUGSMH-ZDUSSCGKSA-N 0 3 315.373 2.304 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncccc1OCC ZINC001028357173 636146418 /nfs/dbraw/zinc/14/64/18/636146418.db2.gz BGZCPCDVQIZAEQ-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1 ZINC000922418324 636167936 /nfs/dbraw/zinc/16/79/36/636167936.db2.gz YUKLSEZKUDCQRN-CZUORRHYSA-N 0 3 303.406 2.143 20 30 DEEDHN Cn1ccc(C(=O)NC[C@@H]2CCN(Cc3cccc(C#N)c3)C2)c1 ZINC001028477754 636242581 /nfs/dbraw/zinc/24/25/81/636242581.db2.gz ZZTFYLNTGXMTNH-KRWDZBQOSA-N 0 3 322.412 2.149 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004244036 636253724 /nfs/dbraw/zinc/25/37/24/636253724.db2.gz XZQKVAZNFXVXIK-UHFFFAOYSA-N 0 3 315.377 2.229 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1cnc2ccccc2c1 ZINC000922628107 636286364 /nfs/dbraw/zinc/28/63/64/636286364.db2.gz BWPLCBUIBWGNBU-UHFFFAOYSA-N 0 3 324.428 2.032 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001028534418 636324961 /nfs/dbraw/zinc/32/49/61/636324961.db2.gz YKDTVKGSTZWTAK-HNNXBMFYSA-N 0 3 316.449 2.022 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2c(C)noc2CCC)C1 ZINC001028536923 636327909 /nfs/dbraw/zinc/32/79/09/636327909.db2.gz ZQPOMXPTIWMDLW-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001028582795 636380892 /nfs/dbraw/zinc/38/08/92/636380892.db2.gz RKDIVAFSEDSVCZ-CQSZACIVSA-N 0 3 309.369 2.027 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001028587183 636397160 /nfs/dbraw/zinc/39/71/60/636397160.db2.gz 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C=C(Cl)CN[C@H]1CCN(C(=O)c2ccn3cncc3c2)[C@H]1C ZINC000986483155 639908382 /nfs/dbraw/zinc/90/83/82/639908382.db2.gz SVVCPALBWFBRNE-WFASDCNBSA-N 0 3 318.808 2.279 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cn1 ZINC000760821605 640232378 /nfs/dbraw/zinc/23/23/78/640232378.db2.gz KDJPFKXPZVNSFM-INIZCTEOSA-N 0 3 321.380 2.032 20 30 DEEDHN COc1ccc(CN[C@H]2C[C@H](C)N(C(=O)C3CC3)C2)cc1C#N ZINC000987682241 640255762 /nfs/dbraw/zinc/25/57/62/640255762.db2.gz NFKOEBCXMPGMBL-LRDDRELGSA-N 0 3 313.401 2.056 20 30 DEEDHN CN(C)C(=O)c1cccc(CNC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000763232807 640520262 /nfs/dbraw/zinc/52/02/62/640520262.db2.gz UYELLFPRYBCBKN-SFHVURJKSA-N 0 3 323.396 2.083 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(F)c(F)c2)CN1C(=O)C#CC1CC1 ZINC000988812909 640669703 /nfs/dbraw/zinc/66/97/03/640669703.db2.gz PAFCQYULZRSLDI-SWLSCSKDSA-N 0 3 318.367 2.457 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3nccc(C)c3c2)C1 ZINC000988891213 640684407 /nfs/dbraw/zinc/68/44/07/640684407.db2.gz 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C#Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cn1 ZINC000770046686 641325837 /nfs/dbraw/zinc/32/58/37/641325837.db2.gz IHLNKSKUHVZTMI-KDOFPFPSSA-N 0 3 307.397 2.484 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)N(C)C)C1=O ZINC000842238279 650676012 /nfs/dbraw/zinc/67/60/12/650676012.db2.gz MXHDXCLXJBQICG-CVEARBPZSA-N 0 3 315.417 2.484 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccc(F)cc3F)CCC[C@@H]12 ZINC000990735835 641835657 /nfs/dbraw/zinc/83/56/57/641835657.db2.gz CZABDZIEDPEEHL-SJLPKXTDSA-N 0 3 318.367 2.254 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000842289368 650695755 /nfs/dbraw/zinc/69/57/55/650695755.db2.gz QOYYALUHQFLCIW-GJZGRUSLSA-N 0 3 302.374 2.073 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCc2ccccc2O1 ZINC000842292661 650696782 /nfs/dbraw/zinc/69/67/82/650696782.db2.gz VQRUUJKZDXYTNJ-GDBMZVCRSA-N 0 3 312.369 2.148 20 30 DEEDHN Cc1ncsc1CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000842293195 650696963 /nfs/dbraw/zinc/69/69/63/650696963.db2.gz 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/nfs/dbraw/zinc/12/29/45/642122945.db2.gz MPLKLNVYLPCJBO-UHFFFAOYSA-N 0 3 307.488 2.152 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccnn2CC2CC2)CC1 ZINC000776026293 642123275 /nfs/dbraw/zinc/12/32/75/642123275.db2.gz QVQXCSNFXITIPZ-UHFFFAOYSA-N 0 3 303.410 2.065 20 30 DEEDHN C=CCNC(=O)CNCc1sc2nc(C)nc(C)c2c1C ZINC000776957998 642219679 /nfs/dbraw/zinc/21/96/79/642219679.db2.gz IEZJLVYWZGZJSP-UHFFFAOYSA-N 0 3 304.419 2.008 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)c1ccnn1CCN(C)C ZINC000900170266 642278778 /nfs/dbraw/zinc/27/87/78/642278778.db2.gz GWLHNGPTOSWAOG-UHFFFAOYSA-N 0 3 312.417 2.273 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCCn1cncn1 ZINC000778155567 642344785 /nfs/dbraw/zinc/34/47/85/642344785.db2.gz DTIBPCVJZKSYDM-UHFFFAOYSA-N 0 3 304.781 2.123 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000778293338 642367852 /nfs/dbraw/zinc/36/78/52/642367852.db2.gz DBRDLANHOHBPTD-CABCVRRESA-N 0 3 302.349 2.335 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(NC3CC3)s2)CC1 ZINC000900606678 642420465 /nfs/dbraw/zinc/42/04/65/642420465.db2.gz UJPSCVGJXWLXEZ-UHFFFAOYSA-N 0 3 320.462 2.488 20 30 DEEDHN C[NH+]1CCC(OCC(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000900679724 642442526 /nfs/dbraw/zinc/44/25/26/642442526.db2.gz VMXFBGIJRXYOLK-UHFFFAOYSA-N 0 3 320.433 2.338 20 30 DEEDHN CC1(C)C[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C(C)(C)O1 ZINC000901624773 642732513 /nfs/dbraw/zinc/73/25/13/642732513.db2.gz QCCXIQWFVZRJPZ-CABCVRRESA-N 0 3 315.417 2.268 20 30 DEEDHN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000901642210 642737400 /nfs/dbraw/zinc/73/74/00/642737400.db2.gz JENKXUMZJCXLCS-INIZCTEOSA-N 0 3 315.417 2.127 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)Cc1ccccc1O ZINC000784341877 643127191 /nfs/dbraw/zinc/12/71/91/643127191.db2.gz LOQJBCHKXXODFV-UHFFFAOYSA-N 0 3 301.390 2.167 20 30 DEEDHN C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(C#N)ccn1 ZINC000902982558 643210463 /nfs/dbraw/zinc/21/04/63/643210463.db2.gz KYFPUXCSVFTVGZ-QRTARXTBSA-N 0 3 315.417 2.172 20 30 DEEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000903043143 643227686 /nfs/dbraw/zinc/22/76/86/643227686.db2.gz QAZNKTGXIZQYCO-XQLPTFJDSA-N 0 3 302.422 2.102 20 30 DEEDHN C#CCN(C(=O)Nc1cccc(CN(C)C)c1)C1CSC1 ZINC000903049480 643238602 /nfs/dbraw/zinc/23/86/02/643238602.db2.gz UJAVJSQTWKFUML-UHFFFAOYSA-N 0 3 303.431 2.331 20 30 DEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)N[C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903048329 643238641 /nfs/dbraw/zinc/23/86/41/643238641.db2.gz MEONKWNCVCIQFE-FAYQHZLMSA-N 0 3 303.406 2.170 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc4c([nH]3)CCOC4)CCC[C@@H]12 ZINC000991019922 643273123 /nfs/dbraw/zinc/27/31/23/643273123.db2.gz OJGMVUNXEMSQLL-SJLPKXTDSA-N 0 3 315.417 2.000 20 30 DEEDHN C[C@@H](NCCCONC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903240501 643297343 /nfs/dbraw/zinc/29/73/43/643297343.db2.gz ZEHGEXJCVJQQEL-GFCCVEGCSA-N 0 3 320.393 2.450 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CCCOCC2)c1 ZINC000786520245 643378601 /nfs/dbraw/zinc/37/86/01/643378601.db2.gz QYWAWFPIPDVXGE-HOTGVXAUSA-N 0 3 314.385 2.137 20 30 DEEDHN CN(C)[C@H]1CCCC(N=Nc2ccccc2S(C)(=O)=O)C1 ZINC000788429873 643607759 /nfs/dbraw/zinc/60/77/59/643607759.db2.gz PEUXWDNGNILHPE-ZDUSSCGKSA-N 0 3 309.435 2.362 20 30 DEEDHN COc1ccc(O)c(/C=N/[C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000905002092 643760589 /nfs/dbraw/zinc/76/05/89/643760589.db2.gz FZDXQDCCYDTSFT-BIJYSIMDSA-N 0 3 306.431 2.400 20 30 DEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OCC#N ZINC000905079341 643777281 /nfs/dbraw/zinc/77/72/81/643777281.db2.gz BIFPZLCKDOOVCC-BZPKPHBRSA-N 0 3 310.313 2.030 20 30 DEEDHN COc1cc(OC)c(/C=C2\C(=O)c3ncnn3C2C)cc1F ZINC000905083811 643779072 /nfs/dbraw/zinc/77/90/72/643779072.db2.gz FPYMTZDHDPZCGJ-YXSUAUNDSA-N 0 3 303.293 2.275 20 30 DEEDHN C=C(Br)CNC[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905064721 643784893 /nfs/dbraw/zinc/78/48/93/643784893.db2.gz KURIMMQDUHOXFM-KBPBESRZSA-N 0 3 314.223 2.359 20 30 DEEDHN COC1(CC(=O)C(C#N)C(=O)NCc2cccc(C)c2)CCC1 ZINC000791891390 644044318 /nfs/dbraw/zinc/04/43/18/644044318.db2.gz QWDPZAXOSISFOU-HNNXBMFYSA-N 0 3 314.385 2.279 20 30 DEEDHN N#Cc1ccc([C@@H](NCC2C[C@H]3CC[C@@H](C2)S3)C(N)=O)cc1 ZINC000905846352 644068700 /nfs/dbraw/zinc/06/87/00/644068700.db2.gz NLOSSKQEJZPBCC-YPAMNDHTSA-N 0 3 315.442 2.348 20 30 DEEDHN C=CCC1(NCc2cn(-c3ccn(C)n3)nn2)CCCCC1 ZINC000906323341 644211827 /nfs/dbraw/zinc/21/18/27/644211827.db2.gz RPALMHYEDMYGFQ-UHFFFAOYSA-N 0 3 300.410 2.369 20 30 DEEDHN C#CCN(C(=O)C(F)(F)c1ccc(F)cc1)C1CCN(C)CC1 ZINC000906451275 644253450 /nfs/dbraw/zinc/25/34/50/644253450.db2.gz CQGMTYPIIMMYSS-UHFFFAOYSA-N 0 3 324.346 2.474 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906594148 644297731 /nfs/dbraw/zinc/29/77/31/644297731.db2.gz XDXQWFLIUYGSCY-JMLCCBQJSA-N 0 3 301.434 2.473 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cncnc1 ZINC000796705887 644778919 /nfs/dbraw/zinc/77/89/19/644778919.db2.gz DLCDOCPQKIVKRS-ZDUSSCGKSA-N 0 3 305.341 2.172 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000796745157 644785397 /nfs/dbraw/zinc/78/53/97/644785397.db2.gz KYJRVGBNJWRPIG-SSDMNJCBSA-N 0 3 300.333 2.330 20 30 DEEDHN COc1cccc(CCC(=O)C(C#N)C(=O)NC(C)C)c1F ZINC000796793487 644793426 /nfs/dbraw/zinc/79/34/26/644793426.db2.gz RORPIBAPHGGCGE-GFCCVEGCSA-N 0 3 306.337 2.000 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C2CC(C)(C)C2)cc1 ZINC000796803185 644795711 /nfs/dbraw/zinc/79/57/11/644795711.db2.gz QOOFICNTVDJJJY-HNNXBMFYSA-N 0 3 314.385 2.456 20 30 DEEDHN N#CC(C(=O)CCC(F)F)C(=O)NCc1ccc(F)cc1F ZINC000796884436 644807896 /nfs/dbraw/zinc/80/78/96/644807896.db2.gz JWPPPMDAIYDUBB-SNVBAGLBSA-N 0 3 316.254 2.335 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H]2CCCOC2)c1 ZINC000796884797 644807925 /nfs/dbraw/zinc/80/79/25/644807925.db2.gz LAPMCDZPBPGHPM-HZPDHXFCSA-N 0 3 314.385 2.137 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H]2CCCOC2)c1 ZINC000796884799 644808102 /nfs/dbraw/zinc/80/81/02/644808102.db2.gz LAPMCDZPBPGHPM-JKSUJKDBSA-N 0 3 314.385 2.137 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000908364343 644835577 /nfs/dbraw/zinc/83/55/77/644835577.db2.gz YVXPKKQUCKFRPO-UCFODXPJSA-N 0 3 312.413 2.288 20 30 DEEDHN C#C[C@H](N[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000843403565 650966806 /nfs/dbraw/zinc/96/68/06/650966806.db2.gz YSOPSQSOCFQSFV-WCVJEAGWSA-N 0 3 322.449 2.402 20 30 DEEDHN C#CCCCc1nnc(N2CCN([C@H](C)CC)CC2)n1CC=C ZINC000908726208 644980827 /nfs/dbraw/zinc/98/08/27/644980827.db2.gz FBCYQPLMDOVXAT-MRXNPFEDSA-N 0 3 315.465 2.341 20 30 DEEDHN COCCN1[C@H](C)CN(Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000843426105 650972955 /nfs/dbraw/zinc/97/29/55/650972955.db2.gz NCCHGKKNDKWOSS-GASCZTMLSA-N 0 3 317.433 2.108 20 30 DEEDHN CC(C)(C)C#CCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000798889164 645095717 /nfs/dbraw/zinc/09/57/17/645095717.db2.gz FLDWFUWYVLQHIL-NXEZZACHSA-N 0 3 305.296 2.036 20 30 DEEDHN C[C@@H](C#N)OCCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000801921535 645463314 /nfs/dbraw/zinc/46/33/14/645463314.db2.gz GAJNPJHBBWCXOZ-SMDDNHRTSA-N 0 3 316.323 2.431 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000801932147 645464275 /nfs/dbraw/zinc/46/42/75/645464275.db2.gz VUAHQFSEUBGINL-ZDUSSCGKSA-N 0 3 319.380 2.405 20 30 DEEDHN C[C@H](C#N)OCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000801932319 645464396 /nfs/dbraw/zinc/46/43/96/645464396.db2.gz KJBYEOWQCGJXST-GDBMZVCRSA-N 0 3 304.390 2.302 20 30 DEEDHN C[C@H](C#N)OCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000801932319 645464400 /nfs/dbraw/zinc/46/44/00/645464400.db2.gz KJBYEOWQCGJXST-GDBMZVCRSA-N 0 3 304.390 2.302 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000801942669 645467275 /nfs/dbraw/zinc/46/72/75/645467275.db2.gz FKOWVHAYNUNFAU-CQSZACIVSA-N 0 3 306.381 2.124 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](OCCOC)C2)cc1 ZINC000802652099 645539558 /nfs/dbraw/zinc/53/95/58/645539558.db2.gz LJUMETMDTYHUPX-SFHVURJKSA-N 0 3 303.402 2.326 20 30 DEEDHN CN(c1ccnc(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000911811440 645838854 /nfs/dbraw/zinc/83/88/54/645838854.db2.gz AICUAQITOSWFDO-UHFFFAOYSA-N 0 3 321.428 2.492 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C(F)F)ncn3)CCC[C@@H]12 ZINC000991358973 645874208 /nfs/dbraw/zinc/87/42/08/645874208.db2.gz KILCSTLQAVRMQF-CJNGLKHVSA-N 0 3 322.359 2.327 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000912091915 645934163 /nfs/dbraw/zinc/93/41/63/645934163.db2.gz TWFBPZXNLCXGBM-XJKSGUPXSA-N 0 3 313.405 2.128 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1=O ZINC000912121548 645951236 /nfs/dbraw/zinc/95/12/36/645951236.db2.gz HAADWYKQJSJQMW-ZDUSSCGKSA-N 0 3 301.390 2.436 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000912099478 645954883 /nfs/dbraw/zinc/95/48/83/645954883.db2.gz HVMYLTAXNCLOGJ-CYBMUJFWSA-N 0 3 322.405 2.012 20 30 DEEDHN CC(C)[C@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)N(C)C ZINC000912931324 646216018 /nfs/dbraw/zinc/21/60/18/646216018.db2.gz LGUUVIANXBHVMC-QGZVFWFLSA-N 0 3 314.433 2.245 20 30 DEEDHN C#Cc1ccc(CN(C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000809589981 646243386 /nfs/dbraw/zinc/24/33/86/646243386.db2.gz MNYZTINAWIARDI-UHFFFAOYSA-N 0 3 318.376 2.396 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cccc(C#N)n2)c1 ZINC000810529767 646372133 /nfs/dbraw/zinc/37/21/33/646372133.db2.gz NOIQOIBROZAUPW-AWEZNQCLSA-N 0 3 304.309 2.223 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810536796 646372963 /nfs/dbraw/zinc/37/29/63/646372963.db2.gz OGDLLGRQKXAEDD-CQSZACIVSA-N 0 3 318.348 2.160 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4c(c3)ncn4C)CCC[C@H]12 ZINC000991470063 646398492 /nfs/dbraw/zinc/39/84/92/646398492.db2.gz HMGCFGYUSHTWRB-HKUYNNGSSA-N 0 3 324.428 2.486 20 30 DEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000156525653 646429148 /nfs/dbraw/zinc/42/91/48/646429148.db2.gz PZVADRRAEAKYCP-CHWSQXEVSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(CCC)nc2C)C[C@@H]1C ZINC000947857017 646445358 /nfs/dbraw/zinc/44/53/58/646445358.db2.gz DZLWRTAXSMXSES-HOCLYGCPSA-N 0 3 316.449 2.208 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc4O3)CCC[C@H]12 ZINC000991682210 646580812 /nfs/dbraw/zinc/58/08/12/646580812.db2.gz QVRVACJPEMIODE-ZIFCJYIRSA-N 0 3 312.413 2.289 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC000948006220 646689623 /nfs/dbraw/zinc/68/96/23/646689623.db2.gz GPVMYFNRPXEFIZ-WMLDXEAASA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3c(c2)COC3)CC1 ZINC000948844242 646722303 /nfs/dbraw/zinc/72/23/03/646722303.db2.gz BTEWONIXASPDJR-SFHVURJKSA-N 0 3 312.413 2.277 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109774 646730412 /nfs/dbraw/zinc/73/04/12/646730412.db2.gz WLXUCTNZKLWVDX-FZMZJTMJSA-N 0 3 306.318 2.170 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CCC[C@H]12 ZINC000991912315 646738338 /nfs/dbraw/zinc/73/83/38/646738338.db2.gz VMUZBUSYKVKVSA-YXISZKLHSA-N 0 3 304.434 2.101 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN([C@H](C)COC)C1 ZINC001014975954 646823731 /nfs/dbraw/zinc/82/37/31/646823731.db2.gz OGNHAPMGQPURGK-HUUCEWRRSA-N 0 3 318.417 2.090 20 30 DEEDHN CN(C)CCN1c2ccccc2C(=NOCCC2CC2)C1=O ZINC000814244986 646867309 /nfs/dbraw/zinc/86/73/09/646867309.db2.gz GZFPQWPSGMTNAG-UHFFFAOYSA-N 0 3 301.390 2.116 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4nonc4c3)CCC[C@@H]12 ZINC000992165332 646880900 /nfs/dbraw/zinc/88/09/00/646880900.db2.gz DBPPSVJBIZKVFD-NVXWUHKLSA-N 0 3 312.373 2.136 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccn(C)c3CC)CCC[C@H]12 ZINC000992172874 646886127 /nfs/dbraw/zinc/88/61/27/646886127.db2.gz BQJBLLMXQPXGFZ-PKOBYXMFSA-N 0 3 313.445 2.338 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cn(CC)nc3C)CCC[C@H]12 ZINC000992261742 646919358 /nfs/dbraw/zinc/91/93/58/646919358.db2.gz PZCUTQZAGVOZDG-RDJZCZTQSA-N 0 3 302.422 2.124 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnc(C4CC4)n3)CCC[C@@H]12 ZINC000992294335 646933133 /nfs/dbraw/zinc/93/31/33/646933133.db2.gz GJGFFKHAFDCUND-CRAIPNDOSA-N 0 3 312.417 2.267 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)Cc3c(C)noc3Cl)CCC[C@H]12 ZINC000992326982 646947356 /nfs/dbraw/zinc/94/73/56/646947356.db2.gz LQHMXUVGIVKDHX-BBRMVZONSA-N 0 3 323.824 2.478 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cn(C(C)C)nn3)CCC[C@H]12 ZINC000992363031 646958233 /nfs/dbraw/zinc/95/82/33/646958233.db2.gz JSOIKBWROWWVRY-DOTOQJQBSA-N 0 3 317.437 2.162 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3c4ccccc4nn3C)CCC[C@@H]12 ZINC000992377559 646963963 /nfs/dbraw/zinc/96/39/63/646963963.db2.gz HPSQIUBEYRPDNR-APWZRJJASA-N 0 3 324.428 2.486 20 30 DEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000815166234 646982907 /nfs/dbraw/zinc/98/29/07/646982907.db2.gz CYQAUNIIZHYDOF-NEPJUHHUSA-N 0 3 315.398 2.193 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(OC)cc3)CCC[C@H]12 ZINC000992440795 647006870 /nfs/dbraw/zinc/00/68/70/647006870.db2.gz SJWBTEKFWHRSDD-HKUYNNGSSA-N 0 3 312.413 2.445 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3c(C)nn(C)c3F)CCC[C@@H]12 ZINC000992445042 647010039 /nfs/dbraw/zinc/01/00/39/647010039.db2.gz 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/nfs/dbraw/zinc/11/03/74/649110374.db2.gz WULRXGGKSWQQGV-BBRMVZONSA-N 0 3 324.384 2.187 20 30 DEEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)c1cocn1 ZINC000941885408 649111745 /nfs/dbraw/zinc/11/17/45/649111745.db2.gz MEBBYVGXDHITKW-BBRMVZONSA-N 0 3 324.384 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@H](C)C1 ZINC000942095394 649154904 /nfs/dbraw/zinc/15/49/04/649154904.db2.gz NWLHBHMCSMFCJY-HUUCEWRRSA-N 0 3 316.449 2.102 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3n2)[C@H](C)C1 ZINC000942126879 649163036 /nfs/dbraw/zinc/16/30/36/649163036.db2.gz LYDSTWBKPOUPOK-KGLIPLIRSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3cccnc3s2)[C@H](C)C1 ZINC000942134868 649167077 /nfs/dbraw/zinc/16/70/77/649167077.db2.gz QKUUEMZSMQRREI-NEPJUHHUSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@H](C)C1 ZINC000942147738 649168179 /nfs/dbraw/zinc/16/81/79/649168179.db2.gz MYRKGNNTKLKEJG-NVXWUHKLSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3cnccc3s2)[C@@H](C)C1 ZINC000942395234 649214267 /nfs/dbraw/zinc/21/42/67/649214267.db2.gz WXPAGKKAPRHGQQ-NWDGAFQWSA-N 0 3 316.430 2.318 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)[C@H](C)C1 ZINC000942486067 649227273 /nfs/dbraw/zinc/22/72/73/649227273.db2.gz LUCFDOVNJMWDBL-UKRRQHHQSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)[C@@H](C)C1 ZINC000942546873 649242610 /nfs/dbraw/zinc/24/26/10/649242610.db2.gz BRBDTFHTGSVLQI-GOEBONIOSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000942584188 649254677 /nfs/dbraw/zinc/25/46/77/649254677.db2.gz SZOBEAXPRGNNGK-WFASDCNBSA-N 0 3 320.820 2.422 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc3c2OCCCO3)CC1 ZINC000829619875 649332415 /nfs/dbraw/zinc/33/24/15/649332415.db2.gz AFLUTZLQAZVILP-UHFFFAOYSA-N 0 3 314.385 2.132 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(OC)c2C)[C@H](C)C1 ZINC000943178706 649346853 /nfs/dbraw/zinc/34/68/53/649346853.db2.gz UUDCBUHKFSBLKT-PBHICJAKSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000943207678 649350343 /nfs/dbraw/zinc/35/03/43/649350343.db2.gz GZRSUTDGCFTGNM-CJNGLKHVSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCc2ccccc2OC)C1 ZINC000829768730 649352933 /nfs/dbraw/zinc/35/29/33/649352933.db2.gz JJPQNXYZFVXDKI-MRXNPFEDSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000829774252 649353363 /nfs/dbraw/zinc/35/33/63/649353363.db2.gz NZGUOSPNYKNCOK-MRXNPFEDSA-N 0 3 314.429 2.389 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000943766377 649421471 /nfs/dbraw/zinc/42/14/71/649421471.db2.gz HYCREJGKEKLAHL-YOEHRIQHSA-N 0 3 310.397 2.435 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](C)C1 ZINC000944082663 649481387 /nfs/dbraw/zinc/48/13/87/649481387.db2.gz YBHYGSAFGSOXJT-DZGCQCFKSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OC)c2OC)[C@H](C)C1 ZINC000944316578 649510373 /nfs/dbraw/zinc/51/03/73/649510373.db2.gz GFNBPKGSJLGCIV-UKRRQHHQSA-N 0 3 318.417 2.330 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OC(C)C)[C@H](C)C1 ZINC000944531363 649530352 /nfs/dbraw/zinc/53/03/52/649530352.db2.gz IWAWYCJOQXOSQZ-HUUCEWRRSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)[C@H](C)C1 ZINC000944533699 649530831 /nfs/dbraw/zinc/53/08/31/649530831.db2.gz PYYHMOMGRIDUJI-UKRRQHHQSA-N 0 3 304.459 2.367 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2OCC)[C@H](C)C1 ZINC000944532409 649531043 /nfs/dbraw/zinc/53/10/43/649531043.db2.gz LYNGDVMNPUDABN-ZBFHGGJFSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@H](C)C1 ZINC000944618613 649535199 /nfs/dbraw/zinc/53/51/99/649535199.db2.gz FWCCPEQCZHPBCL-UKRRQHHQSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000945185356 649626677 /nfs/dbraw/zinc/62/66/77/649626677.db2.gz ZTYYQQFAMQUCFM-SJLPKXTDSA-N 0 3 310.441 2.486 20 30 DEEDHN N#CCn1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cn1 ZINC000845341399 651235142 /nfs/dbraw/zinc/23/51/42/651235142.db2.gz JIJYLHMXDIQIFM-QWRGUYRKSA-N 0 3 316.283 2.093 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1ccnc1 ZINC000845444441 651243613 /nfs/dbraw/zinc/24/36/13/651243613.db2.gz UWQISFUKYUBNBM-UONOGXRCSA-N 0 3 304.394 2.240 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845443599 651243833 /nfs/dbraw/zinc/24/38/33/651243833.db2.gz DZCDDLJFAOJQNA-QKPAOTATSA-N 0 3 318.417 2.229 20 30 DEEDHN C=C(C)CONC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000845605127 651259527 /nfs/dbraw/zinc/25/95/27/651259527.db2.gz IWJYDZKEEARIKL-GDBMZVCRSA-N 0 3 303.406 2.314 20 30 DEEDHN C=C[C@H](C)ONC(=O)N(CCc1ccccc1)CCN(C)C ZINC000845639648 651265196 /nfs/dbraw/zinc/26/51/96/651265196.db2.gz RRHHQWGCIDFCBP-HNNXBMFYSA-N 0 3 305.422 2.308 20 30 DEEDHN C=C1CCN(C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846801966 651352965 /nfs/dbraw/zinc/35/29/65/651352965.db2.gz DSVCETGUKNTRJW-QGZVFWFLSA-N 0 3 310.438 2.400 20 30 DEEDHN C#Cc1cccc(N(C)C(=O)Nc2ccnn2CCN(C)C)c1 ZINC000847191642 651381268 /nfs/dbraw/zinc/38/12/68/651381268.db2.gz CCSPJWQGABIXEO-UHFFFAOYSA-N 0 3 311.389 2.094 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000847257308 651384810 /nfs/dbraw/zinc/38/48/10/651384810.db2.gz WERMGOVRSBTHIR-ZWKOTPCHSA-N 0 3 312.413 2.445 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000847342277 651390423 /nfs/dbraw/zinc/39/04/23/651390423.db2.gz IYBSZMKFWTULFN-KBAYOESNSA-N 0 3 311.429 2.487 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000847342278 651390500 /nfs/dbraw/zinc/39/05/00/651390500.db2.gz IYBSZMKFWTULFN-NJAFHUGGSA-N 0 3 311.429 2.487 20 30 DEEDHN CC(C)COc1ccc(CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000106984579 651405225 /nfs/dbraw/zinc/40/52/25/651405225.db2.gz OQIQYIATFQHGEJ-MRXNPFEDSA-N 0 3 314.385 2.251 20 30 DEEDHN CON=Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848349969 651453617 /nfs/dbraw/zinc/45/36/17/651453617.db2.gz MKVOULQLRMXGGH-SJORKVTESA-N 0 3 315.417 2.414 20 30 DEEDHN CN1CCCc2cc(CNC(=O)[C@H](N)CCCCC#N)ccc21 ZINC000848412596 651456978 /nfs/dbraw/zinc/45/69/78/651456978.db2.gz WBSLZCSFVAVMMS-MRXNPFEDSA-N 0 3 314.433 2.096 20 30 DEEDHN CC(C)(C#N)CCCN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856543706 651950476 /nfs/dbraw/zinc/95/04/76/651950476.db2.gz HSLCKLBGYCHCGZ-JKSUJKDBSA-N 0 3 314.433 2.167 20 30 DEEDHN CC(C)(C)OC(=O)[C@]1(C(=O)C(C#N)c2ccncn2)CC1(C)C ZINC000850947347 652025892 /nfs/dbraw/zinc/02/58/92/652025892.db2.gz GGVCUGDHSVTTSI-APPDUMDISA-N 0 3 315.373 2.411 20 30 DEEDHN CC(C)(C)OC(=O)[C@@]1(C(=O)C(C#N)c2ccncn2)CC1(C)C ZINC000850947350 652026012 /nfs/dbraw/zinc/02/60/12/652026012.db2.gz GGVCUGDHSVTTSI-GTNSWQLSSA-N 0 3 315.373 2.411 20 30 DEEDHN N#Cc1ccc([C@@H](NCC[C@H]2CC2(Cl)Cl)C(N)=O)cc1 ZINC000857247510 652088063 /nfs/dbraw/zinc/08/80/63/652088063.db2.gz WTWSOSCVPCHNNI-NWDGAFQWSA-N 0 3 312.200 2.258 20 30 DEEDHN CC[C@@H]1COC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000852555839 652419947 /nfs/dbraw/zinc/41/99/47/652419947.db2.gz FAAJYMLBRWOYBU-HYVNUMGLSA-N 0 3 313.401 2.068 20 30 DEEDHN N#CC(C(=O)CC[C@H]1CCCCO1)C(=O)NCc1ccccc1 ZINC000111944616 652644224 /nfs/dbraw/zinc/64/42/24/652644224.db2.gz AGVVVCVSWIWWGZ-CVEARBPZSA-N 0 3 314.385 2.361 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1CC2(CC2)C1 ZINC001392517055 1157087682 /nfs/dbraw/zinc/08/76/82/1157087682.db2.gz YUYHGOQJUNMGHR-LLVKDONJSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1OCC[C@H]1CC)C(C)C ZINC001374425006 1157850893 /nfs/dbraw/zinc/85/08/93/1157850893.db2.gz WOEWZZHPXVANJQ-MCIONIFRSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C ZINC001393877202 1158037951 /nfs/dbraw/zinc/03/79/51/1158037951.db2.gz NIXBGINTHKLJHY-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN CON(C)C(=O)[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000858580851 685561463 /nfs/dbraw/zinc/56/14/63/685561463.db2.gz YFVKYTALTLWNGX-BLLLJJGKSA-N 0 3 301.390 2.324 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116592940 684065504 /nfs/dbraw/zinc/06/55/04/684065504.db2.gz ZUOQUJQVNAIOQQ-HBNTYKKESA-N 0 3 306.312 2.302 20 30 DEEDHN N#CC(C(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1ccccn1 ZINC000120378180 684095655 /nfs/dbraw/zinc/09/56/55/684095655.db2.gz BBJRQGZWMFKOAW-NSHDSACASA-N 0 3 315.279 2.250 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCO2)cc1 ZINC000121974517 684111774 /nfs/dbraw/zinc/11/17/74/684111774.db2.gz JMUUMPICUBXTOY-HUUCEWRRSA-N 0 3 300.358 2.465 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCOC(C)C ZINC000129986516 684183697 /nfs/dbraw/zinc/18/36/97/684183697.db2.gz GJKVYGVZRWVVEU-GFCCVEGCSA-N 0 3 304.346 2.158 20 30 DEEDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000130018679 684184278 /nfs/dbraw/zinc/18/42/78/684184278.db2.gz HWEKGFKSVVJVJU-INIZCTEOSA-N 0 3 321.377 2.028 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000133513524 684220174 /nfs/dbraw/zinc/22/01/74/684220174.db2.gz JIYNAAKJGVWTLJ-BXUZGUMPSA-N 0 3 302.374 2.206 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159760355 684320171 /nfs/dbraw/zinc/32/01/71/684320171.db2.gz PHRMZKYLUFHUOA-ZDUSSCGKSA-N 0 3 301.390 2.065 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)C2 ZINC001054111675 693848998 /nfs/dbraw/zinc/84/89/98/693848998.db2.gz ADKXHEYYAIZSTF-FAJBIJEISA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)n1cccc1)C2 ZINC001054118512 693852057 /nfs/dbraw/zinc/85/20/57/693852057.db2.gz JXKFOCSMGNQKIU-HKUYNNGSSA-N 0 3 313.445 2.387 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ncc(Cl)s1)C2 ZINC001054163959 693867739 /nfs/dbraw/zinc/86/77/39/693867739.db2.gz VSOCKQJCJVTKOS-HNNXBMFYSA-N 0 3 323.849 2.358 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C3CC3)on1)C2 ZINC001054172382 693870253 /nfs/dbraw/zinc/87/02/53/693870253.db2.gz MVWPNXHJVSACTJ-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c3cccnc13)C2 ZINC001054226976 693889785 /nfs/dbraw/zinc/88/97/85/693889785.db2.gz BXGQLCDLLCXBLN-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COCc1ccccc1 ZINC000193378081 685038843 /nfs/dbraw/zinc/03/88/43/685038843.db2.gz KXSUBTMBBAQLON-HNNXBMFYSA-N 0 3 302.374 2.218 20 30 DEEDHN Cc1nc(CC(=O)C(C#N)C(=O)Nc2ccccn2)c(C)s1 ZINC000193820090 685050204 /nfs/dbraw/zinc/05/02/04/685050204.db2.gz JITLLGKMBFVIPJ-LLVKDONJSA-N 0 3 314.370 2.045 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@H](C)OC[C@@H]2CC)cc1 ZINC000929272203 693928140 /nfs/dbraw/zinc/92/81/40/693928140.db2.gz YUTXIIQHQTUULJ-YOEHRIQHSA-N 0 3 300.402 2.496 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)OC)cc1Cl ZINC000195492348 685100366 /nfs/dbraw/zinc/10/03/66/685100366.db2.gz ARZPXCJVWFEGNL-GXSJLCMTSA-N 0 3 324.764 2.421 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000246472607 685130394 /nfs/dbraw/zinc/13/03/94/685130394.db2.gz BHHVAGGMCBJVML-TUAOUCFPSA-N 0 3 304.296 2.056 20 30 DEEDHN C=CCn1c(C)nn(CN2CCN(C)C[C@H]2C(C)C)c1=S ZINC000247167089 685143551 /nfs/dbraw/zinc/14/35/51/685143551.db2.gz TVKOGWKRJPOHFY-AWEZNQCLSA-N 0 3 309.483 2.138 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3c(C=O)c[nH]c3c2)CC1 ZINC000859250423 685690926 /nfs/dbraw/zinc/69/09/26/685690926.db2.gz JUVYYRQTMMVUSN-UHFFFAOYSA-N 0 3 311.385 2.361 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(C(C)C)c2Cl)CC1 ZINC000859250424 685691108 /nfs/dbraw/zinc/69/11/08/685691108.db2.gz JWPOWYSSQSQUKT-UHFFFAOYSA-N 0 3 310.829 2.498 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000860463411 685929815 /nfs/dbraw/zinc/92/98/15/685929815.db2.gz BSADPOMGTABVFB-QMIVOQANSA-N 0 3 308.422 2.451 20 30 DEEDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)/C=C\c2ccccc2C#N)C1 ZINC000861340708 686046276 /nfs/dbraw/zinc/04/62/76/686046276.db2.gz JPBLCGIVUAJHCI-LQJOWZLYSA-N 0 3 314.385 2.224 20 30 DEEDHN COc1cccc(CN(C[C@H](O)CC#N)C2CCC(O)CC2)c1 ZINC000929674635 694001569 /nfs/dbraw/zinc/00/15/69/694001569.db2.gz OVUBTSCPMIXOLU-OFLPRAFFSA-N 0 3 318.417 2.075 20 30 DEEDHN C#CC[C@@H](COC)NCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000862549246 686321328 /nfs/dbraw/zinc/32/13/28/686321328.db2.gz XYRFGTBOVNKKEM-HNNXBMFYSA-N 0 3 317.385 2.139 20 30 DEEDHN CCOC(=O)c1[nH]c(C)c(C=NNc2ccnc(C)c2)c1C ZINC000863160396 686439175 /nfs/dbraw/zinc/43/91/75/686439175.db2.gz CCWLQWMYDSJRDA-UHFFFAOYSA-N 0 3 300.362 2.380 20 30 DEEDHN COc1cc(C(C)=NNc2ccnc(C)c2)c(OC)cc1O ZINC000863159242 686439233 /nfs/dbraw/zinc/43/92/33/686439233.db2.gz IXBNEFGYWFAFMA-UHFFFAOYSA-N 0 3 301.346 2.371 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cnn(C)c2)C1 ZINC001054676512 694021983 /nfs/dbraw/zinc/02/19/83/694021983.db2.gz BSJFCOALGFRUQQ-RISCZKNCSA-N 0 3 324.856 2.135 20 30 DEEDHN COC(=O)CCCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000863452456 686501233 /nfs/dbraw/zinc/50/12/33/686501233.db2.gz KOPOTLCSOFEWMN-UHFFFAOYSA-N 0 3 320.389 2.217 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CC[N@@H+]2C2CCCCC2)c1[O-] ZINC000864344687 686692845 /nfs/dbraw/zinc/69/28/45/686692845.db2.gz FEUWFJHWMTZGQR-YLRSXTQRSA-N 0 3 317.433 2.414 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CC[N@H+]2C2CCCCC2)c1[O-] ZINC000864344687 686692849 /nfs/dbraw/zinc/69/28/49/686692849.db2.gz FEUWFJHWMTZGQR-YLRSXTQRSA-N 0 3 317.433 2.414 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H](C)[C@H](NCCF)C2)cc1 ZINC001054813576 694050936 /nfs/dbraw/zinc/05/09/36/694050936.db2.gz XKDUJCKRBUOQEP-XJKSGUPXSA-N 0 3 306.381 2.271 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000929943205 694057328 /nfs/dbraw/zinc/05/73/28/694057328.db2.gz IXLNZQYKCYZRSO-HIFRSBDPSA-N 0 3 314.389 2.125 20 30 DEEDHN COCCN1CCC[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865504450 687237410 /nfs/dbraw/zinc/23/74/10/687237410.db2.gz OQXUMFRWXGVUFS-GFCCVEGCSA-N 0 3 322.340 2.128 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865520170 687244768 /nfs/dbraw/zinc/24/47/68/687244768.db2.gz KQRJBRMHQCEUJA-GFCCVEGCSA-N 0 3 322.409 2.098 20 30 DEEDHN CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)[C@H]1CCN(C2CC2)C1 ZINC000865718069 687312525 /nfs/dbraw/zinc/31/25/25/687312525.db2.gz UDDSDHHDCRWJOO-HNNXBMFYSA-N 0 3 308.385 2.348 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001015793387 687424116 /nfs/dbraw/zinc/42/41/16/687424116.db2.gz AJMPFFNZQZEZFA-CYBMUJFWSA-N 0 3 311.385 2.321 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001015940144 687472394 /nfs/dbraw/zinc/47/23/94/687472394.db2.gz GJYSYSQPPWFARY-LBPRGKRZSA-N 0 3 313.323 2.481 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001016119628 687530208 /nfs/dbraw/zinc/53/02/08/687530208.db2.gz KSUSYRMWINWFGM-CYBMUJFWSA-N 0 3 323.462 2.368 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001016239254 687566513 /nfs/dbraw/zinc/56/65/13/687566513.db2.gz JBSXRAZIMGMMGO-ZDUSSCGKSA-N 0 3 311.385 2.004 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001016295420 687584787 /nfs/dbraw/zinc/58/47/87/687584787.db2.gz SKCVHPZHXXHPLN-LBPRGKRZSA-N 0 3 300.333 2.399 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(CCCF)C2)cc1 ZINC001016355928 687599766 /nfs/dbraw/zinc/59/97/66/687599766.db2.gz CGGNFEBFKAXMQH-MRXNPFEDSA-N 0 3 320.408 2.344 20 30 DEEDHN COC[C@@H](C)OC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000866644960 687638015 /nfs/dbraw/zinc/63/80/15/687638015.db2.gz DDJGYFABSYXYAH-CQSZACIVSA-N 0 3 319.405 2.093 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccnn2[C@@H](C)CC)CC1 ZINC001016648244 687673907 /nfs/dbraw/zinc/67/39/07/687673907.db2.gz UDALXNFEYOBIMI-HOCLYGCPSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001016651487 687674590 /nfs/dbraw/zinc/67/45/90/687674590.db2.gz IKYJGEBJMVBEGZ-UONOGXRCSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc3c(o2)CCCC3)CC1 ZINC001016655524 687675552 /nfs/dbraw/zinc/67/55/52/687675552.db2.gz RLBQMAZOEVYGCJ-KRWDZBQOSA-N 0 3 312.413 2.376 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001016818373 687709623 /nfs/dbraw/zinc/70/96/23/687709623.db2.gz CSTLNEFINIRXFZ-HIFRSBDPSA-N 0 3 302.443 2.456 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2Cc3ccccc3C2)CC1 ZINC001016843626 687716371 /nfs/dbraw/zinc/71/63/71/687716371.db2.gz PBPVBBIXHRDARI-LJQANCHMSA-N 0 3 322.452 2.395 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(OC)c2C)CC1 ZINC001016853053 687719062 /nfs/dbraw/zinc/71/90/62/687719062.db2.gz FFEZBNIUDACYAX-KRWDZBQOSA-N 0 3 312.413 2.221 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001016867985 687722550 /nfs/dbraw/zinc/72/25/50/687722550.db2.gz OMZZNJPSYYRQFV-BBRMVZONSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cncc3ccccc32)CC1 ZINC001016982319 687748913 /nfs/dbraw/zinc/74/89/13/687748913.db2.gz GACNQSDDYVGOPX-SFHVURJKSA-N 0 3 319.408 2.452 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001017513577 687905662 /nfs/dbraw/zinc/90/56/62/687905662.db2.gz IOVHKPDQMCMFLS-HPZPOOBXSA-N 0 3 306.450 2.179 20 30 DEEDHN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001017555924 687912416 /nfs/dbraw/zinc/91/24/16/687912416.db2.gz XGGXGEZIYBCZRF-OWCLPIDISA-N 0 3 314.433 2.081 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncn1 ZINC001017590187 687920347 /nfs/dbraw/zinc/92/03/47/687920347.db2.gz PUQBOLMEGHDSSE-CALCHBBNSA-N 0 3 314.433 2.051 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncs1 ZINC001017641479 687930123 /nfs/dbraw/zinc/93/01/23/687930123.db2.gz RHRQWXLZGRXCHN-OKILXGFUSA-N 0 3 305.447 2.327 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001017728658 687949157 /nfs/dbraw/zinc/94/91/57/687949157.db2.gz PDGDTXGXYNTGOC-XHSDSOJGSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C2CCOCC2)cc1 ZINC000868582330 688066542 /nfs/dbraw/zinc/06/65/42/688066542.db2.gz ZRBICFHQUAWRPZ-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018538616 688168508 /nfs/dbraw/zinc/16/85/08/688168508.db2.gz BRRPKSMNDYIJJF-RISCZKNCSA-N 0 3 321.421 2.139 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](NCc2ccccc2OC2CC2)C1 ZINC001018633063 688189583 /nfs/dbraw/zinc/18/95/83/688189583.db2.gz SUCFFFIBBHYYSG-ZFWWWQNUSA-N 0 3 313.401 2.078 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001018873212 688244997 /nfs/dbraw/zinc/24/49/97/688244997.db2.gz ORNZXLIQFNFYPZ-KGLIPLIRSA-N 0 3 324.856 2.340 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3cnccc3C)C2)cc1 ZINC001019223353 688303004 /nfs/dbraw/zinc/30/30/04/688303004.db2.gz RIHZISPSRBGSLM-IBGZPJMESA-N 0 3 319.408 2.376 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2ccnc(OC)c2)C1 ZINC001019232217 688303386 /nfs/dbraw/zinc/30/33/86/688303386.db2.gz OZSGSXOJCFYYNQ-HNNXBMFYSA-N 0 3 317.433 2.383 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)ccc1F ZINC001019430162 688355005 /nfs/dbraw/zinc/35/50/05/688355005.db2.gz BARRSBAENUASDJ-GJZGRUSLSA-N 0 3 313.376 2.188 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019500115 688368347 /nfs/dbraw/zinc/36/83/47/688368347.db2.gz CWFKPKQEPPITMN-JYJNAYRXSA-N 0 3 320.458 2.420 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C2(C(F)(F)F)CCCCC2)C1 ZINC001019872125 688418727 /nfs/dbraw/zinc/41/87/27/688418727.db2.gz CWLMVIKQOXYDON-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)c1 ZINC001020055582 688452979 /nfs/dbraw/zinc/45/29/79/688452979.db2.gz TVSKSXMQXNAGPW-HDJSIYSDSA-N 0 3 312.348 2.076 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000870134987 688494240 /nfs/dbraw/zinc/49/42/40/688494240.db2.gz QRMCNJMWSGIJEY-HUUCEWRRSA-N 0 3 314.385 2.395 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cncc(OC)c2C)C1 ZINC001020292875 688498564 /nfs/dbraw/zinc/49/85/64/688498564.db2.gz JPSKPTNPQFYTGW-HAQNSBGRSA-N 0 3 309.797 2.002 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC001027429188 688531257 /nfs/dbraw/zinc/53/12/57/688531257.db2.gz CMWKDWVIMVXQPR-MRXNPFEDSA-N 0 3 314.433 2.168 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001028832509 688544091 /nfs/dbraw/zinc/54/40/91/688544091.db2.gz NAMWVFJMJMRNQZ-QFBILLFUSA-N 0 3 310.441 2.253 20 30 DEEDHN CN(C)C(=O)[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000871929064 688896800 /nfs/dbraw/zinc/89/68/00/688896800.db2.gz QPFVIRKIQABAFA-OALUTQOASA-N 0 3 319.408 2.445 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001032176829 689078565 /nfs/dbraw/zinc/07/85/65/689078565.db2.gz WBXZQIYIKNTKME-UHFFFAOYSA-N 0 3 314.429 2.406 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC001032198534 689081638 /nfs/dbraw/zinc/08/16/38/689081638.db2.gz NRJHXOUREAZSSA-GOEBONIOSA-N 0 3 318.367 2.140 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000872943443 689125605 /nfs/dbraw/zinc/12/56/05/689125605.db2.gz CHPLHILMZSEPIC-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1 ZINC001032422849 689147243 /nfs/dbraw/zinc/14/72/43/689147243.db2.gz ODZTVMSBLNBWFB-IHRRRGAJSA-N 0 3 312.841 2.087 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ncn(C)c21 ZINC001032485775 689164284 /nfs/dbraw/zinc/16/42/84/689164284.db2.gz DNHAMSYMBQNOHU-KBPBESRZSA-N 0 3 310.401 2.048 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001032506067 689170510 /nfs/dbraw/zinc/17/05/10/689170510.db2.gz XLSAQNCRLBUEIH-BQFCYCMXSA-N 0 3 312.413 2.241 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000930867519 694258799 /nfs/dbraw/zinc/25/87/99/694258799.db2.gz RAXFLLPBYDCGQM-ABAIWWIYSA-N 0 3 314.389 2.171 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2c(c1)CCO2 ZINC001032551379 689182502 /nfs/dbraw/zinc/18/25/02/689182502.db2.gz SMXSYBSPLDXOCC-IRXDYDNUSA-N 0 3 312.413 2.025 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCOCC1 ZINC001032628967 689206280 /nfs/dbraw/zinc/20/62/80/689206280.db2.gz PYCXUFQXKVLJGR-GJZGRUSLSA-N 0 3 310.413 2.004 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1 ZINC001032673259 689220482 /nfs/dbraw/zinc/22/04/82/689220482.db2.gz HFSZKQNYXVZYKD-QAETUUGQSA-N 0 3 304.434 2.053 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1F ZINC001032778684 689257660 /nfs/dbraw/zinc/25/76/60/689257660.db2.gz FHNGUODSRGJLBH-GJZGRUSLSA-N 0 3 318.392 2.456 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2F)C1 ZINC001033100159 689387246 /nfs/dbraw/zinc/38/72/46/689387246.db2.gz UVWFOYOQVNXOBT-HNNXBMFYSA-N 0 3 306.356 2.063 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001033104061 689388394 /nfs/dbraw/zinc/38/83/94/689388394.db2.gz SKQYXYHMAMJYGG-HOTGVXAUSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccn(C3CCCC3)n2)C1 ZINC001033118614 689394691 /nfs/dbraw/zinc/39/46/91/689394691.db2.gz FUPHRHOPPCBQBV-INIZCTEOSA-N 0 3 314.433 2.168 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001033131584 689400353 /nfs/dbraw/zinc/40/03/53/689400353.db2.gz IBROWCAVUJNTED-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cncn2-c2ccccc2)C1 ZINC001033153518 689407017 /nfs/dbraw/zinc/40/70/17/689407017.db2.gz WANXVLZJSVKMMQ-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cncc3ccccc32)C1 ZINC001033165601 689409405 /nfs/dbraw/zinc/40/94/05/689409405.db2.gz OJYFQYBDVALPEB-QGZVFWFLSA-N 0 3 309.413 2.496 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001033164182 689409645 /nfs/dbraw/zinc/40/96/45/689409645.db2.gz BQGHLPQPJHBAED-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001033189815 689418482 /nfs/dbraw/zinc/41/84/82/689418482.db2.gz CNNTVXJZWDEZJN-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3)n2)C1 ZINC001033224803 689430693 /nfs/dbraw/zinc/43/06/93/689430693.db2.gz KNZQUFRCJUFSDK-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033258274 689441884 /nfs/dbraw/zinc/44/18/84/689441884.db2.gz 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ZINC001380871121 1152870123 /nfs/dbraw/zinc/87/01/23/1152870123.db2.gz ACCYRRHTIQLENN-CYBMUJFWSA-N 0 3 309.410 2.496 20 30 DEEDHN COC(=O)C[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC001362530365 1152959688 /nfs/dbraw/zinc/95/96/88/1152959688.db2.gz QLOSSICYQINFDW-HZPDHXFCSA-N 0 3 314.385 2.313 20 30 DEEDHN COC(=O)C[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC001362530363 1152960158 /nfs/dbraw/zinc/96/01/58/1152960158.db2.gz QLOSSICYQINFDW-HOTGVXAUSA-N 0 3 314.385 2.313 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H]2CCCOC2)C1 ZINC001381336665 1153008240 /nfs/dbraw/zinc/00/82/40/1153008240.db2.gz YOHTZSMRXASFKZ-HSBZDZAISA-N 0 3 300.830 2.040 20 30 DEEDHN Cc1nc(C(=O)N(C)C[C@@H](C)NCc2ccc(C#N)s2)co1 ZINC001382072738 1153345610 /nfs/dbraw/zinc/34/56/10/1153345610.db2.gz YFZZMPOBPUDGCT-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001390335771 1155658077 /nfs/dbraw/zinc/65/80/77/1155658077.db2.gz TZNDDIHKDLLVKE-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)CCOc1cc(C)ccc1C ZINC001390884914 1155912615 /nfs/dbraw/zinc/91/26/15/1155912615.db2.gz GQPKPCWGOZEWJY-INIZCTEOSA-N 0 3 317.433 2.280 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001371759608 1156004044 /nfs/dbraw/zinc/00/40/44/1156004044.db2.gz IFXAAPDQMLQWJA-LBPRGKRZSA-N 0 3 312.845 2.394 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001371820170 1156030824 /nfs/dbraw/zinc/03/08/24/1156030824.db2.gz SPPFSJHFRQFKJN-NDBYEHHHSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)[C@@H]1CCCCN1C ZINC001372715244 1156696344 /nfs/dbraw/zinc/69/63/44/1156696344.db2.gz WRGUNZFQMUNTBB-AWEZNQCLSA-N 0 3 301.862 2.051 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](CC)NCc1cc(C#N)ccc1OC ZINC001391722682 1156740981 /nfs/dbraw/zinc/74/09/81/1156740981.db2.gz UQDUKVVUMOTWRY-GJZGRUSLSA-N 0 3 321.396 2.299 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1c(C)nn(C)c1C)C1CC1 ZINC001391798650 1156804918 /nfs/dbraw/zinc/80/49/18/1156804918.db2.gz JUMLNXUVBJNZRE-INIZCTEOSA-N 0 3 324.856 2.278 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)C1CCC1)C(C)C ZINC001392202198 1156889416 /nfs/dbraw/zinc/88/94/16/1156889416.db2.gz FJCDOSFJGPBWMA-LBPRGKRZSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(OC)ns1)C(C)C ZINC001392220874 1156895876 /nfs/dbraw/zinc/89/58/76/1156895876.db2.gz NNWCMLOPOHQBBX-JTQLQIEISA-N 0 3 317.842 2.248 20 30 DEEDHN Cc1ncccc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001392509167 1157082681 /nfs/dbraw/zinc/08/26/81/1157082681.db2.gz ZXVTYRRVFWKQAL-LLVKDONJSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC12CCC2 ZINC001392512389 1157083769 /nfs/dbraw/zinc/08/37/69/1157083769.db2.gz JWECIJYRGFRFQO-RISCZKNCSA-N 0 3 303.431 2.404 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC12CCC2 ZINC001392514014 1157085892 /nfs/dbraw/zinc/08/58/92/1157085892.db2.gz VHMMMKMVKNIAOQ-DOMZBBRYSA-N 0 3 315.392 2.482 20 30 DEEDHN CC[C@H](CNC(=O)C[C@@H]1CCOC1)NCc1ccc(C#N)s1 ZINC001373734417 1157323877 /nfs/dbraw/zinc/32/38/77/1157323877.db2.gz GDZFAEFNYIKWJC-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H](C)CSC ZINC001403350377 1162859357 /nfs/dbraw/zinc/85/93/57/1162859357.db2.gz PVIRMPXCPMQVID-GXSJLCMTSA-N 0 3 323.300 2.379 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)COCC2CC2)CCCC1 ZINC001374150313 1157666851 /nfs/dbraw/zinc/66/68/51/1157666851.db2.gz DMPIEEPCSBYCKB-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@@]23CCOC3)CCCC1 ZINC001374179848 1157694167 /nfs/dbraw/zinc/69/41/67/1157694167.db2.gz VTYBWTDTJIUFTF-DZGCQCFKSA-N 0 3 312.841 2.184 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)Cc1ccco1 ZINC001374307666 1157808314 /nfs/dbraw/zinc/80/83/14/1157808314.db2.gz VCQSUMCPGQIKPO-GFCCVEGCSA-N 0 3 317.414 2.392 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)Cn1cncc1C ZINC001374394212 1157837632 /nfs/dbraw/zinc/83/76/32/1157837632.db2.gz GVUJSKYKIDXYTJ-DOMZBBRYSA-N 0 3 324.856 2.161 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001374736542 1157992463 /nfs/dbraw/zinc/99/24/63/1157992463.db2.gz FIFZGQIEYKRIIF-GHMZBOCLSA-N 0 3 309.797 2.103 20 30 DEEDHN Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)n1C ZINC001375004033 1158192167 /nfs/dbraw/zinc/19/21/67/1158192167.db2.gz VWLYMTSYMLMBLY-CQSZACIVSA-N 0 3 324.428 2.456 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001375030798 1158223257 /nfs/dbraw/zinc/22/32/57/1158223257.db2.gz RPNZOSNDJDTKDR-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001394248502 1158394268 /nfs/dbraw/zinc/39/42/68/1158394268.db2.gz TVTWNQOOQACEPR-CYBMUJFWSA-N 0 3 313.873 2.050 20 30 DEEDHN N#Cc1cc(C(=O)NCC2(NCc3ccc(F)cc3)CC2)c[nH]1 ZINC001375413524 1158582946 /nfs/dbraw/zinc/58/29/46/1158582946.db2.gz OCGJCNONRRGVTI-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN CC(C)[C@H](F)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001375457963 1158709171 /nfs/dbraw/zinc/70/91/71/1158709171.db2.gz KRKLWBYLCUMQDK-HNNXBMFYSA-N 0 3 303.381 2.291 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2cccc3cccnc32)C1 ZINC001375817717 1158881617 /nfs/dbraw/zinc/88/16/17/1158881617.db2.gz BOXGXRZIPJJPRX-LIRRHRJNSA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001376473208 1159459449 /nfs/dbraw/zinc/45/94/49/1159459449.db2.gz JCLDJFIGCGZTNA-MELADBBJSA-N 0 3 310.829 2.132 20 30 DEEDHN C=C(Cl)CN[C@H](C)CN(C)C(=O)CCCn1ccnc1C ZINC001403604838 1163042782 /nfs/dbraw/zinc/04/27/82/1163042782.db2.gz FVUASARROTYQJJ-CYBMUJFWSA-N 0 3 312.845 2.161 20 30 DEEDHN CCO[C@@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001376723029 1159723517 /nfs/dbraw/zinc/72/35/17/1159723517.db2.gz XTLFAWXRLFJWDU-SWLSCSKDSA-N 0 3 323.462 2.275 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001377003449 1159872813 /nfs/dbraw/zinc/87/28/13/1159872813.db2.gz JNMZCCCZGDIKGK-CQSZACIVSA-N 0 3 303.878 2.105 20 30 DEEDHN CC[C@@H](OC)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001377007496 1159874156 /nfs/dbraw/zinc/87/41/56/1159874156.db2.gz JMJWDWRBOYBJTG-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1csc2cncn21 ZINC001377080403 1159893430 /nfs/dbraw/zinc/89/34/30/1159893430.db2.gz KWEYWIBPDPHWFB-SNVBAGLBSA-N 0 3 312.826 2.246 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001397709557 1160413363 /nfs/dbraw/zinc/41/33/63/1160413363.db2.gz AXUHMOVRRGSOII-MJBXVCDLSA-N 0 3 302.846 2.284 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001378040182 1160949647 /nfs/dbraw/zinc/94/96/47/1160949647.db2.gz WMUQHPAFXOSGOZ-CQDKDKBSSA-N 0 3 321.371 2.396 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378115305 1161030765 /nfs/dbraw/zinc/03/07/65/1161030765.db2.gz NKTXMOOQHDRPLV-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1nc(C(C)C)ccc1CN[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001398891163 1161139547 /nfs/dbraw/zinc/13/95/47/1161139547.db2.gz VVMBPRCANWBILX-OLZOCXBDSA-N 0 3 302.422 2.267 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001398916391 1161149475 /nfs/dbraw/zinc/14/94/75/1161149475.db2.gz DNYZQGHEWVKPAC-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@H](CCNC(=O)C[C@@H]1CCCO1)NCc1ccccc1C#N ZINC001399313438 1161340010 /nfs/dbraw/zinc/34/00/10/1161340010.db2.gz HSXQWCFUXPQTHF-PBHICJAKSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCO[C@H]2C)CCCC1 ZINC001401191404 1161890428 /nfs/dbraw/zinc/89/04/28/1161890428.db2.gz XTPKALKMEZXWHH-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN Cc1nocc1CN(C)CCC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001401308830 1161922870 /nfs/dbraw/zinc/92/28/70/1161922870.db2.gz RLXQEJZTZQHZBW-CYBMUJFWSA-N 0 3 318.421 2.203 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCO[C@H]1CC)C(C)C ZINC001401341082 1161936480 /nfs/dbraw/zinc/93/64/80/1161936480.db2.gz WTXOZRBJEXMPRF-RDBSUJKOSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1csnn1 ZINC001402019828 1162218718 /nfs/dbraw/zinc/21/87/18/1162218718.db2.gz BBYPIMSLDCQDMK-JQWIXIFHSA-N 0 3 314.842 2.263 20 30 DEEDHN CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)NCC=C(Cl)Cl ZINC001405225262 1164020894 /nfs/dbraw/zinc/02/08/94/1164020894.db2.gz STWYJGUFMGANRE-SNVBAGLBSA-N 0 3 315.204 2.303 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](OC)C1CCC1)C1CC1 ZINC001405482339 1164113887 /nfs/dbraw/zinc/11/38/87/1164113887.db2.gz UAKSLLBDDPACSG-ZBFHGGJFSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccc(OC)n1)C1CC1 ZINC001405519848 1164131586 /nfs/dbraw/zinc/13/15/86/1164131586.db2.gz WDPKRHHSNZZUPV-MRXNPFEDSA-N 0 3 323.824 2.331 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406597778 1164716244 /nfs/dbraw/zinc/71/62/44/1164716244.db2.gz DMFHHYZPSJHXCN-HNNXBMFYSA-N 0 3 324.428 2.456 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2(NC/C=C\c3ccccc3)CC2)[nH]1 ZINC001406911088 1164880967 /nfs/dbraw/zinc/88/09/67/1164880967.db2.gz TYIVLZSPVGTQPR-DAXSKMNVSA-N 0 3 320.396 2.452 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(C)(NC/C(Cl)=C/Cl)CC1 ZINC001408089693 1165471197 /nfs/dbraw/zinc/47/11/97/1165471197.db2.gz QEYAOGPNXYHJJG-PAKSIRSJSA-N 0 3 304.221 2.436 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001417859891 1167266074 /nfs/dbraw/zinc/26/60/74/1167266074.db2.gz QRWGUGDJSRDIKX-HNNXBMFYSA-N 0 3 315.889 2.394 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)c3ccccc3SCC#N)C[C@@H]21 ZINC001417873173 1167274713 /nfs/dbraw/zinc/27/47/13/1167274713.db2.gz PHEYLIUWCNOFFE-OCCSQVGLSA-N 0 3 301.415 2.078 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001417898713 1167291745 /nfs/dbraw/zinc/29/17/45/1167291745.db2.gz JRBXPNSGIUXOHI-OCCSQVGLSA-N 0 3 311.813 2.329 20 30 DEEDHN CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001418021318 1167366750 /nfs/dbraw/zinc/36/67/50/1167366750.db2.gz ISCOECPRKQBURO-HSBHDXMMSA-N 0 3 320.824 2.423 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418119231 1167423063 /nfs/dbraw/zinc/42/30/63/1167423063.db2.gz ISRSNQGZYFYWBN-CQSZACIVSA-N 0 3 313.873 2.051 20 30 DEEDHN CS[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418207879 1167489718 /nfs/dbraw/zinc/48/97/18/1167489718.db2.gz GKDURQSYMGZSTM-NWDGAFQWSA-N 0 3 323.437 2.433 20 30 DEEDHN CCc1[nH]ccc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001418219318 1167499293 /nfs/dbraw/zinc/49/92/93/1167499293.db2.gz TTXICBBDMXFBCD-NSHDSACASA-N 0 3 316.430 2.418 20 30 DEEDHN CCOCC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001418358740 1167595391 /nfs/dbraw/zinc/59/53/91/1167595391.db2.gz QWSRLHZPYPSNSW-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn2c1CCCC2 ZINC001418422808 1167644376 /nfs/dbraw/zinc/64/43/76/1167644376.db2.gz AYBOXZWJQXWOLO-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001418454585 1167668555 /nfs/dbraw/zinc/66/85/55/1167668555.db2.gz NIIWEWSJNJQBHP-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H](C)C2CC2)C[C@H]1OCC ZINC001418745069 1167936369 /nfs/dbraw/zinc/93/63/69/1167936369.db2.gz KLDUBQFRVJEURL-NWANDNLSSA-N 0 3 314.857 2.238 20 30 DEEDHN Cc1nc(C)c(CN2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)s1 ZINC001419073666 1168178368 /nfs/dbraw/zinc/17/83/68/1168178368.db2.gz RHLQOSARHRRCAG-NSHDSACASA-N 0 3 320.462 2.342 20 30 DEEDHN COc1ccc(CN2CCC(N(C)C(=O)[C@H](C)C#N)CC2)cc1 ZINC001419074280 1168180217 /nfs/dbraw/zinc/18/02/17/1168180217.db2.gz VHIDQPOIYVEGRO-CQSZACIVSA-N 0 3 315.417 2.278 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001419172455 1168287316 /nfs/dbraw/zinc/28/73/16/1168287316.db2.gz YCIAWCAULJESTF-UONOGXRCSA-N 0 3 301.862 2.002 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)nnc1CC)C(C)C ZINC001419891682 1168894226 /nfs/dbraw/zinc/89/42/26/1168894226.db2.gz RCNGLQXMWXPNGN-OAHLLOKOSA-N 0 3 324.856 2.444 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1c[nH]cc1C ZINC001420159751 1169202454 /nfs/dbraw/zinc/20/24/54/1169202454.db2.gz HDHPOXQTXZAZOV-NSHDSACASA-N 0 3 314.227 2.330 20 30 DEEDHN CCN(CCNC(=O)[C@H]1C[C@@H]1C)Cc1ccc(OCC#N)cc1 ZINC001420366741 1169411323 /nfs/dbraw/zinc/41/13/23/1169411323.db2.gz NDTNMQSDOQUJCK-YOEHRIQHSA-N 0 3 315.417 2.183 20 30 DEEDHN CCO[C@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C1CC1 ZINC001420423552 1169524069 /nfs/dbraw/zinc/52/40/69/1169524069.db2.gz SONXYAIJCUVQAF-NHYWBVRUSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001420447547 1169568501 /nfs/dbraw/zinc/56/85/01/1169568501.db2.gz JYCNWKBZTLFPSN-GLQYFDAESA-N 0 3 321.446 2.029 20 30 DEEDHN CN(C)[C@H](CNc1cnc(C#N)c(C#N)n1)c1cccc(F)c1 ZINC001421038142 1171445941 /nfs/dbraw/zinc/44/59/41/1171445941.db2.gz IQAHYKJUHDRXIG-OAHLLOKOSA-N 0 3 310.336 2.074 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1[nH]cnc1CC)C1CC1 ZINC001421595241 1171862650 /nfs/dbraw/zinc/86/26/50/1171862650.db2.gz WVXHVGNGCVKVDS-HNNXBMFYSA-N 0 3 310.829 2.213 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001421740643 1171951780 /nfs/dbraw/zinc/95/17/80/1171951780.db2.gz WLVXPDQMAMIVGJ-BBRMVZONSA-N 0 3 305.397 2.394 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C1CCC(O)CC1)C(C)C ZINC001422081764 1172286593 /nfs/dbraw/zinc/28/65/93/1172286593.db2.gz HIARTLGNNNOPEH-RUXDESIVSA-N 0 3 302.846 2.020 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H](C)SC ZINC001422127453 1172324841 /nfs/dbraw/zinc/32/48/41/1172324841.db2.gz DCHCHWLXZXGHEH-UWVGGRQHSA-N 0 3 309.273 2.131 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CCC(F)F ZINC001422542103 1172691644 /nfs/dbraw/zinc/69/16/44/1172691644.db2.gz LBOAGCCPUXJWHV-SECBINFHSA-N 0 3 301.362 2.259 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001422908607 1172918202 /nfs/dbraw/zinc/91/82/02/1172918202.db2.gz DFYPUNWTDLAKOP-HOMQSWHASA-N 0 3 315.751 2.210 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2csc3cncn32)C1 ZINC001422907197 1172918587 /nfs/dbraw/zinc/91/85/87/1172918587.db2.gz MPJBCLIOZYQZLC-XYPYZODXSA-N 0 3 324.837 2.246 20 30 DEEDHN CO[C@H](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001423054489 1173046891 /nfs/dbraw/zinc/04/68/91/1173046891.db2.gz HUGQGFZZKQQJQU-QWHCGFSZSA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)Cc1[nH]cnc1C)C(C)(C)C ZINC001423615009 1173449053 /nfs/dbraw/zinc/44/90/53/1173449053.db2.gz LGTPQAXIYKVQOG-CYBMUJFWSA-N 0 3 312.845 2.134 20 30 DEEDHN Cc1ccc(F)c(CNC2CC(N(C)C(=O)[C@H](C)C#N)C2)c1 ZINC001423670575 1173479857 /nfs/dbraw/zinc/47/98/57/1173479857.db2.gz QMUYHZQYEKXUDV-LRVUVFPRSA-N 0 3 303.381 2.373 20 30 DEEDHN COC(=O)c1sc(NC(=O)[C@H](N)CCCCC#N)cc1C ZINC001578892116 1177049753 /nfs/dbraw/zinc/04/97/53/1177049753.db2.gz YZXVDSCEQOCOAU-SNVBAGLBSA-N 0 3 309.391 2.193 20 30 DEEDHN C[C@@H](CNC(=O)C1(CF)CCC1)NCc1ccc(C#N)s1 ZINC001437199543 1179566116 /nfs/dbraw/zinc/56/61/16/1179566116.db2.gz DHLSNPQVKTYVJZ-NSHDSACASA-N 0 3 309.410 2.354 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2ccccn21 ZINC001437390783 1179778124 /nfs/dbraw/zinc/77/81/24/1179778124.db2.gz UNSIFHKTBNNMFY-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001437396518 1179781292 /nfs/dbraw/zinc/78/12/92/1179781292.db2.gz OETHYCCQXBJXHU-WCQYABFASA-N 0 3 312.845 2.151 20 30 DEEDHN COc1cccc(CN2CCC[C@H]2CNC(=O)[C@H](C)C#N)c1C ZINC001437662395 1179881349 /nfs/dbraw/zinc/88/13/49/1179881349.db2.gz SNHAIURTLVSLIW-CJNGLKHVSA-N 0 3 315.417 2.244 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)COCC2CC2)CCCC1 ZINC001438381747 1180383459 /nfs/dbraw/zinc/38/34/59/1180383459.db2.gz LVXZRYNVDYZAAN-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCCCN2C)CCCC1 ZINC001438401724 1180391873 /nfs/dbraw/zinc/39/18/73/1180391873.db2.gz JSXBFCIDCLTHGJ-AWEZNQCLSA-N 0 3 313.873 2.242 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@H](C)SC)C(C)C ZINC001438789221 1180804870 /nfs/dbraw/zinc/80/48/70/1180804870.db2.gz KROWXGQIZKBHRB-WDEREUQCSA-N 0 3 323.300 2.377 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CC[C@@H]1CCOC1)C(C)C ZINC001438804615 1180817569 /nfs/dbraw/zinc/81/75/69/1180817569.db2.gz PXXIEILCAWJTOH-ZIAGYGMSSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccnc1OC)C(C)C ZINC001438830973 1180824613 /nfs/dbraw/zinc/82/46/13/1180824613.db2.gz PWXRMYUNJBEYFL-CYBMUJFWSA-N 0 3 311.813 2.187 20 30 DEEDHN COCC(C)(C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001439138965 1180894534 /nfs/dbraw/zinc/89/45/34/1180894534.db2.gz UHHFZGPBKCRUBY-GFCCVEGCSA-N 0 3 323.462 2.277 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439299266 1181001335 /nfs/dbraw/zinc/00/13/35/1181001335.db2.gz CZBAWYRXAHYSDH-OLZOCXBDSA-N 0 3 305.447 2.246 20 30 DEEDHN CC(C)OCCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439302006 1181004693 /nfs/dbraw/zinc/00/46/93/1181004693.db2.gz XFHNBHNRGUTPQQ-OAHLLOKOSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1ccc(CN(C)C[C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc1 ZINC001439317780 1181017331 /nfs/dbraw/zinc/01/73/31/1181017331.db2.gz VOETWYYMHPDZIW-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001439320478 1181019043 /nfs/dbraw/zinc/01/90/43/1181019043.db2.gz QMTMASMOPPTZIA-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001439933442 1181311864 /nfs/dbraw/zinc/31/18/64/1181311864.db2.gz KXWCNCODFYFTET-KXBFYZLASA-N 0 3 324.428 2.436 20 30 DEEDHN Cc1nc(C)c(CNC2(CNC(=O)[C@@H](C)C#N)CCC2)s1 ZINC001440312293 1181442097 /nfs/dbraw/zinc/44/20/97/1181442097.db2.gz XUJLBUOKDVLFQA-JTQLQIEISA-N 0 3 306.435 2.048 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001440327784 1181449904 /nfs/dbraw/zinc/44/99/04/1181449904.db2.gz OLSSXQUDSWLOPR-IHRRRGAJSA-N 0 3 300.830 2.183 20 30 DEEDHN CCCN1CCC(NC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC001440638370 1181622101 /nfs/dbraw/zinc/62/21/01/1181622101.db2.gz VTSUDNBHJZLYNQ-YVMONPNESA-N 0 3 318.392 2.399 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001440751890 1181674956 /nfs/dbraw/zinc/67/49/56/1181674956.db2.gz IBSCOPRBRXYIRM-UHFFFAOYSA-N 0 3 324.856 2.243 20 30 DEEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@H](C)NC(=O)C(C)(F)F ZINC001440775682 1181684928 /nfs/dbraw/zinc/68/49/28/1181684928.db2.gz SIKYKMDGYHTPND-UWVGGRQHSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccc[nH]1 ZINC001440788917 1181692675 /nfs/dbraw/zinc/69/26/75/1181692675.db2.gz QEBAMFQSHWGAHF-QWRGUYRKSA-N 0 3 302.403 2.244 20 30 DEEDHN C[C@H](CNC(=O)c1ccccn1)N(C)Cc1cccc(C#N)c1 ZINC001440893536 1181746376 /nfs/dbraw/zinc/74/63/76/1181746376.db2.gz CRTRFZHMRIQRJI-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440910861 1181763678 /nfs/dbraw/zinc/76/36/78/1181763678.db2.gz JGDNDQVLGNVVBB-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN COc1ccc(C)cc1CN[C@H](CNC(=O)[C@H](C)C#N)C1CC1 ZINC001441175494 1181884196 /nfs/dbraw/zinc/88/41/96/1181884196.db2.gz NMKUAVJCVSRSLY-CZUORRHYSA-N 0 3 315.417 2.148 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001441350996 1181952848 /nfs/dbraw/zinc/95/28/48/1181952848.db2.gz MLKPOEMZNBRYQT-MGCOHNPYSA-N 0 3 315.826 2.002 20 30 DEEDHN CCC1(C(=O)NC[C@@H](C)NCc2ccc(C#N)c(F)c2)CC1 ZINC001441930941 1182255235 /nfs/dbraw/zinc/25/52/35/1182255235.db2.gz FOPRWKFVXRRBLD-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](C)C(C)C)cc1C#N ZINC001441965723 1182271730 /nfs/dbraw/zinc/27/17/30/1182271730.db2.gz BNKIDDNZJUPLNM-KBPBESRZSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001444103919 1183287812 /nfs/dbraw/zinc/28/78/12/1183287812.db2.gz OQJWRKXJLUSXCM-OAHLLOKOSA-N 0 3 311.788 2.461 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cn1nc(C)cc1C)C1CC1 ZINC001444111183 1183289223 /nfs/dbraw/zinc/28/92/23/1183289223.db2.gz DHIUXJPAAYLCGR-MRXNPFEDSA-N 0 3 324.856 2.127 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@H]2CCCO2)CCCC1 ZINC001444475283 1183403172 /nfs/dbraw/zinc/40/31/72/1183403172.db2.gz FSPGQQZSJMYPMZ-CYBMUJFWSA-N 0 3 300.830 2.327 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001444934572 1183657218 /nfs/dbraw/zinc/65/72/18/1183657218.db2.gz XBQJWYROJXVQKA-IBGZPJMESA-N 0 3 316.445 2.437 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)CCc1ccccc1Cl ZINC001444955112 1183670956 /nfs/dbraw/zinc/67/09/56/1183670956.db2.gz KFCQPCGQMZJVLX-CYBMUJFWSA-N 0 3 307.825 2.432 20 30 DEEDHN CC[C@H](SC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001445355618 1183845921 /nfs/dbraw/zinc/84/59/21/1183845921.db2.gz RAEANNUVJCAFCG-MFKMUULPSA-N 0 3 311.476 2.356 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cc1ccoc1 ZINC001445366658 1183850145 /nfs/dbraw/zinc/85/01/45/1183850145.db2.gz VSEPPYQDUSYMIZ-GFCCVEGCSA-N 0 3 315.348 2.127 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(F)F)CC2)c1 ZINC001446173045 1184260248 /nfs/dbraw/zinc/26/02/48/1184260248.db2.gz XMMAAZPWAOACHX-KBPBESRZSA-N 0 3 319.355 2.198 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001447294114 1184706840 /nfs/dbraw/zinc/70/68/40/1184706840.db2.gz AFWQUXQBAMZVNY-XJKSGUPXSA-N 0 3 303.381 2.456 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001447818759 1184882590 /nfs/dbraw/zinc/88/25/90/1184882590.db2.gz RUOUEVXDJJZYPP-UHFFFAOYSA-N 0 3 324.856 2.196 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC001448288422 1185152440 /nfs/dbraw/zinc/15/24/40/1185152440.db2.gz TWGSFLLUMKQIJV-ZIAGYGMSSA-N 0 3 322.412 2.331 20 30 DEEDHN C=C(Br)CNC[C@@H](NC(=O)COCC)C(C)(C)C ZINC001449289064 1185624936 /nfs/dbraw/zinc/62/49/36/1185624936.db2.gz HESSKRSNGGFHKX-LLVKDONJSA-N 0 3 321.259 2.052 20 30 DEEDHN CCCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnc[n-]c2=O)C1 ZINC001331992660 1149804623 /nfs/dbraw/zinc/80/46/23/1149804623.db2.gz BKGONOQNULQHTP-ZIAGYGMSSA-N 0 3 320.437 2.345 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)c(C)cc2F)C1 ZINC001331996131 1149805386 /nfs/dbraw/zinc/80/53/86/1149805386.db2.gz MBBMEXNOFKERRU-QWHCGFSZSA-N 0 3 306.356 2.489 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001332006861 1149806435 /nfs/dbraw/zinc/80/64/35/1149806435.db2.gz GIMVWTZFECPRIO-RDJZCZTQSA-N 0 3 314.429 2.148 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 ZINC001332052017 1149813927 /nfs/dbraw/zinc/81/39/27/1149813927.db2.gz XBLOAFNFPHZXMR-CZUORRHYSA-N 0 3 320.820 2.182 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2ccc(C)nc2)[C@H]1C ZINC001332162860 1149827882 /nfs/dbraw/zinc/82/78/82/1149827882.db2.gz YCVDGUVZEASODW-WBVHZDCISA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cc(C)c(Cl)cn3)C2)C1 ZINC001072850278 790272815 /nfs/dbraw/zinc/27/28/15/790272815.db2.gz UVDZLEUNYAOVBM-UHFFFAOYSA-N 0 3 319.836 2.306 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)[C@@H]2CCCC23CC3)CC1(C)C ZINC001332386581 1149855984 /nfs/dbraw/zinc/85/59/84/1149855984.db2.gz GJAYSRGYTUCAPQ-HOTGVXAUSA-N 0 3 318.461 2.043 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC23CC3)CC1(C)C ZINC001332386583 1149856266 /nfs/dbraw/zinc/85/62/66/1149856266.db2.gz GJAYSRGYTUCAPQ-HZPDHXFCSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccn(-c4ccccc4)n3)C2)C1 ZINC001072894704 790291659 /nfs/dbraw/zinc/29/16/59/790291659.db2.gz DJJFXYYYFLAKGF-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(F)c(C)c3)C2)C1 ZINC001072925951 790306430 /nfs/dbraw/zinc/30/64/30/790306430.db2.gz BMRIKRHHBJHKBI-UHFFFAOYSA-N 0 3 300.377 2.305 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc(Cl)c1C ZINC001332633935 1149875198 /nfs/dbraw/zinc/87/51/98/1149875198.db2.gz UXIQNKYFPQXIDU-CYBMUJFWSA-N 0 3 310.825 2.199 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccnn1C1CCC1)C(C)C ZINC001332707562 1149882626 /nfs/dbraw/zinc/88/26/26/1149882626.db2.gz NHCPMBIYGYMXDE-UHFFFAOYSA-N 0 3 316.449 2.414 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)C(C)C ZINC001332731976 1149885883 /nfs/dbraw/zinc/88/58/83/1149885883.db2.gz FZIHBIYJDXHAKV-HZPDHXFCSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCCN(C)CCN(C(=O)CCC1CCOCC1)C(C)C ZINC001332731854 1149885979 /nfs/dbraw/zinc/88/59/79/1149885979.db2.gz DOZNCHINLPEFAY-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1occc1Cl)CCOC ZINC001332923887 1149926136 /nfs/dbraw/zinc/92/61/36/1149926136.db2.gz ZFNHVERCALMFAF-UHFFFAOYSA-N 0 3 300.786 2.187 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCc3ccoc3)CC2)CC1 ZINC001333165870 1150010068 /nfs/dbraw/zinc/01/00/68/1150010068.db2.gz JPKIGYLRMCZPGI-UHFFFAOYSA-N 0 3 300.402 2.206 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CC2CCOCC2)CC(C)(C)C1 ZINC001089341558 782866424 /nfs/dbraw/zinc/86/64/24/782866424.db2.gz MUEXGHDOSZSNOZ-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(C)SCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001123775192 783077249 /nfs/dbraw/zinc/07/72/49/783077249.db2.gz VEHWEQNEEYIFSP-UHFFFAOYSA-N 0 3 309.410 2.045 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3cccn3cn2)CC(C)(C)C1 ZINC001089417897 783084382 /nfs/dbraw/zinc/08/43/82/783084382.db2.gz DUOVLKLNMULONN-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3ncccc3o2)C[C@@H]1C ZINC000947554369 783173048 /nfs/dbraw/zinc/17/30/48/783173048.db2.gz APEOAYJSVPRYKF-KBPBESRZSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2)CC(C)(C)C1 ZINC001089510569 783173381 /nfs/dbraw/zinc/17/33/81/783173381.db2.gz XLRKCHDZASYMGF-MRXNPFEDSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2oc(CC)nc2C)CC(C)(C)C1 ZINC001089534131 783191722 /nfs/dbraw/zinc/19/17/22/783191722.db2.gz OYRPTOXFJKDHGO-CQSZACIVSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2C)C[C@@H]1C ZINC000947754846 783224116 /nfs/dbraw/zinc/22/41/16/783224116.db2.gz VSTNAPUOXIGSQV-DZGCQCFKSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)C[C@H]1C ZINC000947758244 783225649 /nfs/dbraw/zinc/22/56/49/783225649.db2.gz KPUWXBWCZGUIRI-SJLPKXTDSA-N 0 3 323.440 2.279 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2CCN(CC=C(C)C)C[C@H]2O)CC1 ZINC001090548221 790345934 /nfs/dbraw/zinc/34/59/34/790345934.db2.gz VQTVFACIEQDHTQ-DLBZAZTESA-N 0 3 306.450 2.250 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2O)C1 ZINC001090552372 790348275 /nfs/dbraw/zinc/34/82/75/790348275.db2.gz CWQDXZMVNNDDHB-DLBZAZTESA-N 0 3 314.429 2.094 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCO[C@H](CCC)C3)C2)C1 ZINC001073083546 790440512 /nfs/dbraw/zinc/44/05/12/790440512.db2.gz DQXVSOXABCLODU-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCC(=O)NC1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001073098102 790451660 /nfs/dbraw/zinc/45/16/60/790451660.db2.gz OMJKWBUXMYYARL-INIZCTEOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCO[C@H](C(C)C)C3)C2)C1 ZINC001073106352 790457777 /nfs/dbraw/zinc/45/77/77/790457777.db2.gz ZBURZPVXGGOQGK-CVEARBPZSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CC[C@H]3CC(C)(C)CO3)C2)C1 ZINC001073152615 790491542 /nfs/dbraw/zinc/49/15/42/790491542.db2.gz JZHMLZMQUYXQHT-HNNXBMFYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC001073152788 790491755 /nfs/dbraw/zinc/49/17/55/790491755.db2.gz MYPBUWGZMDETLX-UHFFFAOYSA-N 0 3 300.402 2.492 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCO[C@@H]1C1CCN(C(C)=O)CC1 ZINC001075399083 776920238 /nfs/dbraw/zinc/92/02/38/776920238.db2.gz BMDLVVZWGOZEBF-LSDHHAIUSA-N 0 3 300.830 2.135 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001167363111 776951879 /nfs/dbraw/zinc/95/18/79/776951879.db2.gz NANXRCCIBQNIFN-UHFFFAOYSA-N 0 3 304.438 2.028 20 30 DEEDHN Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)C#N)sn1 ZINC001087136455 777028662 /nfs/dbraw/zinc/02/86/62/777028662.db2.gz UYEUQLWXFAEVFR-DYEKYZERSA-N 0 3 320.462 2.328 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001073183451 790504788 /nfs/dbraw/zinc/50/47/88/790504788.db2.gz YZZROAMQXBLRFE-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@@H](O)C1 ZINC001090783205 790527644 /nfs/dbraw/zinc/52/76/44/790527644.db2.gz KJFBYOQCWHBIMC-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN Cc1nocc1C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972204956 777343550 /nfs/dbraw/zinc/34/35/50/777343550.db2.gz BBQLPJXHFNWMFY-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1c1ccccc1 ZINC001211548352 777352591 /nfs/dbraw/zinc/35/25/91/777352591.db2.gz PZUHPAIRNALWEX-KSZLIROESA-N 0 3 314.429 2.019 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCCCO2)C1 ZINC001111886901 777417072 /nfs/dbraw/zinc/41/70/72/777417072.db2.gz YAQVDYCXCXXKCF-SCTDSRPQSA-N 0 3 318.461 2.330 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](O)C1 ZINC001090794486 790545953 /nfs/dbraw/zinc/54/59/53/790545953.db2.gz QGLDSFRGTJYYAF-KGLIPLIRSA-N 0 3 322.474 2.360 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(C)no3)C(C)(C)[C@H]21 ZINC001087271696 777678004 /nfs/dbraw/zinc/67/80/04/777678004.db2.gz WALZUJGQOQXXMY-SNPRPXQTSA-N 0 3 303.406 2.388 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccnc(F)c3)C(C)(C)[C@H]21 ZINC001087272989 777684069 /nfs/dbraw/zinc/68/40/69/777684069.db2.gz QFLGWNKLXDGQLW-KBMXLJTQSA-N 0 3 315.392 2.073 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cscn1 ZINC001087276066 777693594 /nfs/dbraw/zinc/69/35/94/777693594.db2.gz QNCLZJWOSPEXLM-VHDGCEQUSA-N 0 3 317.458 2.385 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cncc(F)c1 ZINC001087281784 777712793 /nfs/dbraw/zinc/71/27/93/777712793.db2.gz MITPQDPMWJRBTR-OWCLPIDISA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccnc(C)c3)C(C)(C)[C@@H]21 ZINC001087309297 777768061 /nfs/dbraw/zinc/76/80/61/777768061.db2.gz DUKSLWAFHFQXCG-BRWVUGGUSA-N 0 3 311.429 2.242 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C3CCC=CCC3)[C@H]2C1 ZINC001083278406 777898398 /nfs/dbraw/zinc/89/83/98/777898398.db2.gz WPNNLEOQDFQQNO-DLBZAZTESA-N 0 3 304.434 2.221 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C ZINC001104839817 778209064 /nfs/dbraw/zinc/20/90/64/778209064.db2.gz MTFSOGAHHNLXLK-XNRPHZJLSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105310289 778437219 /nfs/dbraw/zinc/43/72/19/778437219.db2.gz WQEAUTQUCZLDCL-AWEZNQCLSA-N 0 3 319.453 2.153 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105309946 778438491 /nfs/dbraw/zinc/43/84/91/778438491.db2.gz JFMHGGSFVVMJPK-AWEZNQCLSA-N 0 3 319.453 2.009 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)nc1 ZINC000728810501 778477238 /nfs/dbraw/zinc/47/72/38/778477238.db2.gz SHQVGPIJFRKPPD-UHFFFAOYSA-N 0 3 319.408 2.241 20 30 DEEDHN N#C[C@H]1CC[C@H](Nc2cncc(OCCN3CCCC3)n2)CC1 ZINC001167842151 778704102 /nfs/dbraw/zinc/70/41/02/778704102.db2.gz GNQXFUJZVYYGCQ-SHTZXODSSA-N 0 3 315.421 2.445 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1sccc1COC ZINC001171105970 790645211 /nfs/dbraw/zinc/64/52/11/790645211.db2.gz HNKIUBDOOBZLOL-UHFFFAOYSA-N 0 3 302.827 2.357 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100367703 778741637 /nfs/dbraw/zinc/74/16/37/778741637.db2.gz UPOGEBNGFXPVNE-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCC[C@H](C)NCc1cn(C2CN(C(=O)C(C)(C)C)C2)nn1 ZINC001105364923 778827234 /nfs/dbraw/zinc/82/72/34/778827234.db2.gz FACSEQRCJYLRNG-ZDUSSCGKSA-N 0 3 319.453 2.152 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)Cc3ccccc3)C2)C1 ZINC001073448885 790662684 /nfs/dbraw/zinc/66/26/84/790662684.db2.gz GCMJIAULPONCHG-QGZVFWFLSA-N 0 3 310.441 2.423 20 30 DEEDHN C=CCOC(=O)[C@@H](Nc1ccc2c(n1)OCCNC2)[C@@H](C)CC ZINC001167955717 779032680 /nfs/dbraw/zinc/03/26/80/779032680.db2.gz XFHYATGIGIRPDB-WFASDCNBSA-N 0 3 319.405 2.119 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1C(F)(F)F ZINC001112136931 779058583 /nfs/dbraw/zinc/05/85/83/779058583.db2.gz MDRFPQQUTVIPNK-GHMZBOCLSA-N 0 3 308.319 2.291 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@]3(C)CCc4ccccc43)C2)C1 ZINC001073476118 790677507 /nfs/dbraw/zinc/67/75/07/790677507.db2.gz VAJSBODAVZMJDJ-FQEVSTJZSA-N 0 3 322.452 2.448 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCC#CC)C[C@H]1C(F)(F)F ZINC001112148308 779139890 /nfs/dbraw/zinc/13/98/90/779139890.db2.gz JBLGBEXRDCSFRP-CHWSQXEVSA-N 0 3 302.340 2.345 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3ccc(F)c(F)c3)C2)C1 ZINC001073488236 790688575 /nfs/dbraw/zinc/68/85/75/790688575.db2.gz WHMJRMSHONKQLR-UHFFFAOYSA-N 0 3 322.355 2.064 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CC3CCC(OC)CC3)C2)C1 ZINC001073492220 790690504 /nfs/dbraw/zinc/69/05/04/790690504.db2.gz ZVSMZOHLOQXZQL-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@H]1CC ZINC001087578327 779361185 /nfs/dbraw/zinc/36/11/85/779361185.db2.gz OATOXTXIGJWARJ-QWHCGFSZSA-N 0 3 304.438 2.476 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)[C@H]1CC ZINC001087661523 779400385 /nfs/dbraw/zinc/40/03/85/779400385.db2.gz PHCHEJZIEIVRFY-LSDHHAIUSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2Cl)[C@H]1CC ZINC001087676563 779405624 /nfs/dbraw/zinc/40/56/24/779405624.db2.gz VDHQLCKDDRHDTF-NWDGAFQWSA-N 0 3 310.829 2.151 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)[C@H]1CC ZINC001087795828 779454532 /nfs/dbraw/zinc/45/45/32/779454532.db2.gz ZIFGIZCIKZQJOT-JKSUJKDBSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncnc2C(C)C)[C@H]1CC ZINC001087831775 779473162 /nfs/dbraw/zinc/47/31/62/779473162.db2.gz DGCGHHOTBKFABU-LSDHHAIUSA-N 0 3 302.422 2.369 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001168029245 779490495 /nfs/dbraw/zinc/49/04/95/779490495.db2.gz DYTLQNLAMKMPBZ-QWHCGFSZSA-N 0 3 315.255 2.427 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001073540175 790718168 /nfs/dbraw/zinc/71/81/68/790718168.db2.gz ZROUZNHKVLFEFU-OAHLLOKOSA-N 0 3 318.417 2.179 20 30 DEEDHN C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001073540175 790718173 /nfs/dbraw/zinc/71/81/73/790718173.db2.gz ZROUZNHKVLFEFU-OAHLLOKOSA-N 0 3 318.417 2.179 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4cc(C)cn4c3)C[C@@H]2C1 ZINC001087988014 779618239 /nfs/dbraw/zinc/61/82/39/779618239.db2.gz LXGKRQKQMVKTTI-AEFFLSMTSA-N 0 3 321.424 2.275 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(F)ccc3CC)C[C@@H]2C1 ZINC001088026631 779643933 /nfs/dbraw/zinc/64/39/33/779643933.db2.gz UKFJUQWXQOPFBK-CVEARBPZSA-N 0 3 314.404 2.415 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4c3O[C@H](C)C4)C[C@@H]2C1 ZINC001088044935 779652751 /nfs/dbraw/zinc/65/27/51/779652751.db2.gz RGAVFPSXQYEQOP-OIISXLGYSA-N 0 3 324.424 2.037 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C(F)F)CCC3)C[C@@H]2C1 ZINC001088079566 779682952 /nfs/dbraw/zinc/68/29/52/779682952.db2.gz KOQMUNRGCNPZQT-KGLIPLIRSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccco3)C[C@@H]2C1 ZINC001088104100 779704425 /nfs/dbraw/zinc/70/44/25/779704425.db2.gz UFCYVLOGUDEQHW-OAGGEKHMSA-N 0 3 300.402 2.187 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C1 ZINC001088179418 779760508 /nfs/dbraw/zinc/76/05/08/779760508.db2.gz HOFCVWWXSFSMDC-KGLIPLIRSA-N 0 3 302.805 2.367 20 30 DEEDHN Cc1coc(C)c1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001126586542 779765886 /nfs/dbraw/zinc/76/58/86/779765886.db2.gz ISROKPKYQFSGSV-UHFFFAOYSA-N 0 3 315.348 2.427 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001073597476 790732949 /nfs/dbraw/zinc/73/29/49/790732949.db2.gz AJOCINZHEWWGOE-CQSZACIVSA-N 0 3 308.447 2.453 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3)C[C@@H]2C1 ZINC001088194154 779766258 /nfs/dbraw/zinc/76/62/58/779766258.db2.gz OMUNKBCRXYCHJW-SJORKVTESA-N 0 3 310.441 2.378 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(F)c3)C[C@@H]2C1 ZINC001088206383 779773026 /nfs/dbraw/zinc/77/30/26/779773026.db2.gz OSFZLBQXEOFYGA-OIISXLGYSA-N 0 3 314.404 2.343 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CC(C3CC3)C3CC3)C[C@@H]2C1 ZINC001088212960 779776141 /nfs/dbraw/zinc/77/61/41/779776141.db2.gz CQIYBTTYGMEJHV-SJORKVTESA-N 0 3 300.446 2.226 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001073617610 790744987 /nfs/dbraw/zinc/74/49/87/790744987.db2.gz IQPWEEYIFURHKR-MRXNPFEDSA-N 0 3 317.433 2.041 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccnnc2)C1 ZINC001088388072 780057683 /nfs/dbraw/zinc/05/76/83/780057683.db2.gz LYWUAFBQOKRHMZ-CQSZACIVSA-N 0 3 308.813 2.204 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N1CCCCC[C@H](NCC#N)C1 ZINC001088394431 780068825 /nfs/dbraw/zinc/06/88/25/780068825.db2.gz GLYHHHIMWRQDEM-DLBZAZTESA-N 0 3 320.481 2.134 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001073693814 790796545 /nfs/dbraw/zinc/79/65/45/790796545.db2.gz MGMBERLKTSIGHK-ARFHVFGLSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@H]1C ZINC001088577562 780536025 /nfs/dbraw/zinc/53/60/25/780536025.db2.gz BCNBAYQQGCXPQU-OLZOCXBDSA-N 0 3 304.438 2.476 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3[nH]c(C)nc3c2)[C@H]1C ZINC001088613636 780617419 /nfs/dbraw/zinc/61/74/19/780617419.db2.gz RVICSLGNACEMBF-RISCZKNCSA-N 0 3 313.405 2.035 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001073736534 790825464 /nfs/dbraw/zinc/82/54/64/790825464.db2.gz VBYMYYGVZWRIMW-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN CC(C)C#CC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001126810054 780929408 /nfs/dbraw/zinc/92/94/08/780929408.db2.gz ACAJRIHPOGMVNE-MRXNPFEDSA-N 0 3 306.356 2.317 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(OCC=C)cc3)[C@@H]2C1 ZINC001075958731 780930419 /nfs/dbraw/zinc/93/04/19/780930419.db2.gz RIQQCFVJPXZRST-PKOBYXMFSA-N 0 3 324.424 2.421 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3ccc(F)cc3)[C@@H]2C1 ZINC001075999914 781007061 /nfs/dbraw/zinc/00/70/61/781007061.db2.gz TWGNFPWTCWCAMN-DOTOQJQBSA-N 0 3 302.393 2.477 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nc(C)c(C)nc3C)[C@@H]2C1 ZINC001076019654 781079819 /nfs/dbraw/zinc/07/98/19/781079819.db2.gz VXVJHNUDVTUDCG-JKSUJKDBSA-N 0 3 314.433 2.124 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nncc4ccccc43)[C@@H]2C1 ZINC001076028094 781084352 /nfs/dbraw/zinc/08/43/52/781084352.db2.gz PGGRBWXVHRUUQB-DOTOQJQBSA-N 0 3 322.412 2.352 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001073758657 790851647 /nfs/dbraw/zinc/85/16/47/790851647.db2.gz PGIBPBWFSDMJED-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3occ4c3CCOC4)[C@@H]2C1 ZINC001076089876 781114350 /nfs/dbraw/zinc/11/43/50/781114350.db2.gz WDJWINNAROVCGT-XJKSGUPXSA-N 0 3 316.401 2.075 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[C@H](F)C2)c1 ZINC001126960653 781492333 /nfs/dbraw/zinc/49/23/33/781492333.db2.gz QFBNBQYMSWJGEN-CVEARBPZSA-N 0 3 303.381 2.292 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 ZINC001212163926 781799628 /nfs/dbraw/zinc/79/96/28/781799628.db2.gz QIEZBVLFQKZRBW-GDBMZVCRSA-N 0 3 321.421 2.158 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C[C@H]1C ZINC000947810748 783236857 /nfs/dbraw/zinc/23/68/57/783236857.db2.gz PHGWNQRMRWHSKL-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)C[C@@H]1C ZINC000947862266 783248679 /nfs/dbraw/zinc/24/86/79/783248679.db2.gz SDKGFEOCEGCQRP-RDJZCZTQSA-N 0 3 316.449 2.145 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2OC)C[C@H]1C ZINC000948005941 783291975 /nfs/dbraw/zinc/29/19/75/783291975.db2.gz AROHHFIVWBEFKF-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(COC)cc2)C[C@@H]1C ZINC000948027396 783297034 /nfs/dbraw/zinc/29/70/34/783297034.db2.gz WROANJYNWYZEBK-YOEHRIQHSA-N 0 3 300.402 2.049 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnnn1CC ZINC001089637446 783309206 /nfs/dbraw/zinc/30/92/06/783309206.db2.gz MHBAVMTVKRECKJ-CQSZACIVSA-N 0 3 319.453 2.095 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000948579069 783510718 /nfs/dbraw/zinc/51/07/18/783510718.db2.gz LXPAOHZHIKWXIZ-CQSZACIVSA-N 0 3 302.422 2.093 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000948616950 783530323 /nfs/dbraw/zinc/53/03/23/783530323.db2.gz LMSJQDOIXNVZGU-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001073905100 790950768 /nfs/dbraw/zinc/95/07/68/790950768.db2.gz VPGWKUPGACYKRN-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001066224651 783570711 /nfs/dbraw/zinc/57/07/11/783570711.db2.gz MRBSRUACLZOMAA-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC001085245251 783601475 /nfs/dbraw/zinc/60/14/75/783601475.db2.gz QIPCZQPWSASPIO-KFWWJZLASA-N 0 3 313.873 2.240 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1OCC[C@H]1C ZINC001085335335 783641887 /nfs/dbraw/zinc/64/18/87/783641887.db2.gz NEBXVGYAOAVBTK-ZRJCITRHSA-N 0 3 300.830 2.181 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC000966360104 783642746 /nfs/dbraw/zinc/64/27/46/783642746.db2.gz VQMHSXLRJNEWEH-GXTWGEPZSA-N 0 3 322.840 2.020 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC000966387847 783649816 /nfs/dbraw/zinc/64/98/16/783649816.db2.gz PFCPAKYBGBFFRK-HOCLYGCPSA-N 0 3 316.449 2.102 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2cnccc2C)C1 ZINC000966841407 783776859 /nfs/dbraw/zinc/77/68/59/783776859.db2.gz HNMFXNBZQWIWLH-DOTOQJQBSA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC000966978539 783847561 /nfs/dbraw/zinc/84/75/61/783847561.db2.gz NSUVIXLZSWFSKV-CZUORRHYSA-N 0 3 305.397 2.166 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2cc(C)ccn21 ZINC001085613374 783885130 /nfs/dbraw/zinc/88/51/30/783885130.db2.gz OYNPZNHEVFSRBV-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2nccn21 ZINC001085639261 783917688 /nfs/dbraw/zinc/91/76/88/783917688.db2.gz LQUWAVLSHSMWLS-HZPDHXFCSA-N 0 3 316.449 2.259 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085673591 783956600 /nfs/dbraw/zinc/95/66/00/783956600.db2.gz AHQDILIFPBYZTL-ZDUSSCGKSA-N 0 3 309.360 2.472 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC000967413722 783989706 /nfs/dbraw/zinc/98/97/06/783989706.db2.gz FDVPRAGMXWINBN-WFASDCNBSA-N 0 3 319.474 2.152 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1-c1ccoc1 ZINC001085740493 784025602 /nfs/dbraw/zinc/02/56/02/784025602.db2.gz SNBAXWLHAVPQGL-AWEZNQCLSA-N 0 3 314.389 2.392 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC000967625398 784073571 /nfs/dbraw/zinc/07/35/71/784073571.db2.gz MEFFXRSVYWLOGT-CJNGLKHVSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1occc1CN(C)C ZINC001085788636 784081032 /nfs/dbraw/zinc/08/10/32/784081032.db2.gz OVEVMINPKNVCBJ-HNNXBMFYSA-N 0 3 305.422 2.064 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CCCF)CC[C@@H]2C)cc1 ZINC000967677760 784090317 /nfs/dbraw/zinc/09/03/17/784090317.db2.gz MVJWLESCJFGVRT-YOEHRIQHSA-N 0 3 302.393 2.468 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(CC)nc1C ZINC001085848656 784131212 /nfs/dbraw/zinc/13/12/12/784131212.db2.gz CSCSRWKAHHFLLI-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001085861539 784152409 /nfs/dbraw/zinc/15/24/09/784152409.db2.gz AHKQNDCNXBMAJT-MRXNPFEDSA-N 0 3 317.433 2.462 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000968017580 784203935 /nfs/dbraw/zinc/20/39/35/784203935.db2.gz QGPCTTGJSKIDHM-PBHICJAKSA-N 0 3 317.433 2.035 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968134891 784233698 /nfs/dbraw/zinc/23/36/98/784233698.db2.gz ZURBCTFTBJLYKQ-RDTXWAMCSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncccc1OC ZINC001085945803 784238367 /nfs/dbraw/zinc/23/83/67/784238367.db2.gz RGYGKBWXNRCWMX-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncnc1CC ZINC001085977343 784275158 /nfs/dbraw/zinc/27/51/58/784275158.db2.gz SOEANTKGFOGJNO-CQSZACIVSA-N 0 3 302.422 2.152 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000968354065 784316560 /nfs/dbraw/zinc/31/65/60/784316560.db2.gz MNFCVUZSWDBLRL-KXBFYZLASA-N 0 3 310.441 2.251 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC000968354260 784317268 /nfs/dbraw/zinc/31/72/68/784317268.db2.gz PJGKZHBWQCHVFD-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001086016704 784331291 /nfs/dbraw/zinc/33/12/91/784331291.db2.gz DMBXZSZUOSEAHS-XABYNWHXSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968378448 784341075 /nfs/dbraw/zinc/34/10/75/784341075.db2.gz PXVDAUNBTCPXBM-JKSUJKDBSA-N 0 3 318.465 2.409 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001091202675 791023699 /nfs/dbraw/zinc/02/36/99/791023699.db2.gz GCXWFJDJXDNTFI-PESDSKBTSA-N 0 3 319.836 2.348 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC000968431105 784382667 /nfs/dbraw/zinc/38/26/67/784382667.db2.gz IZNWOZFSLAVHEC-HOCLYGCPSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC001086071605 784384050 /nfs/dbraw/zinc/38/40/50/784384050.db2.gz UVIHGSZEXMDCNP-IGQOVBAYSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)[C@@H](C)C1 ZINC001074033658 791022247 /nfs/dbraw/zinc/02/22/47/791022247.db2.gz PCNCMPVJOAAXMQ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC000968467751 784402981 /nfs/dbraw/zinc/40/29/81/784402981.db2.gz HKGIDZZXFRRPCO-WMLDXEAASA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001086104524 784411923 /nfs/dbraw/zinc/41/19/23/784411923.db2.gz IYODTOGYUMDBID-LXTVHRRPSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC001086120167 784420393 /nfs/dbraw/zinc/42/03/93/784420393.db2.gz NQSWIRMWYWHQAI-BETUJISGSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC000968524930 784445327 /nfs/dbraw/zinc/44/53/27/784445327.db2.gz JKODQKHPYRCHIN-WMLDXEAASA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC000968544595 784456016 /nfs/dbraw/zinc/45/60/16/784456016.db2.gz QRVPURMNYBBXLQ-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3cccnc32)C1 ZINC000968545127 784457552 /nfs/dbraw/zinc/45/75/52/784457552.db2.gz YFTSUFCLSBHJJC-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC000968560935 784465535 /nfs/dbraw/zinc/46/55/35/784465535.db2.gz GVHLANDYKQHHHT-RDJZCZTQSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC000968562126 784466016 /nfs/dbraw/zinc/46/60/16/784466016.db2.gz QCHMVJAWWXAXQN-GOEBONIOSA-N 0 3 324.428 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC001086215069 784494674 /nfs/dbraw/zinc/49/46/74/784494674.db2.gz BHVQSLIZZYNDDN-BJHJDKERSA-N 0 3 320.824 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC001086267231 784531967 /nfs/dbraw/zinc/53/19/67/784531967.db2.gz UHPDXJCWEVEWAO-BETUJISGSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cncnc2C2CC2)C1 ZINC001086264795 784532939 /nfs/dbraw/zinc/53/29/39/784532939.db2.gz ZLBCYPFVHSVEFY-BJHJDKERSA-N 0 3 320.824 2.205 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C2CCC2)C1 ZINC001086289828 784548999 /nfs/dbraw/zinc/54/89/99/784548999.db2.gz LTXAKLOKXYMQAG-UMSPYCQHSA-N 0 3 301.228 2.180 20 30 DEEDHN C=CCCC(=O)NCCCNCc1ccn(CC(F)(F)F)n1 ZINC001155586934 784559362 /nfs/dbraw/zinc/55/93/62/784559362.db2.gz QLDMVOPTZMXJMG-UHFFFAOYSA-N 0 3 318.343 2.008 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001086351773 784612810 /nfs/dbraw/zinc/61/28/10/784612810.db2.gz UVIHGSZEXMDCNP-XUXIUFHCSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC000968869314 784628094 /nfs/dbraw/zinc/62/80/94/784628094.db2.gz MGBVCENYZHRXAV-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001086380149 784634965 /nfs/dbraw/zinc/63/49/65/784634965.db2.gz KPIVZENFACLCDH-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC000968909287 784646124 /nfs/dbraw/zinc/64/61/24/784646124.db2.gz BOQSFNDAFQZHRB-AWEZNQCLSA-N 0 3 320.437 2.359 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC000968933782 784657957 /nfs/dbraw/zinc/65/79/57/784657957.db2.gz FGDIHGAAUYZNGA-CQSZACIVSA-N 0 3 319.405 2.071 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC000969079741 784717809 /nfs/dbraw/zinc/71/78/09/784717809.db2.gz WNNHNUKVUDDGKO-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2conc2C2CC2)C1 ZINC001086473535 784764571 /nfs/dbraw/zinc/76/45/71/784764571.db2.gz IZFIEYIKEIILGO-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccn(C)c2CC)C1 ZINC001091233468 791056195 /nfs/dbraw/zinc/05/61/95/791056195.db2.gz IQEYIECWYVQYQU-UHFFFAOYSA-N 0 3 309.841 2.438 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108294473 784842002 /nfs/dbraw/zinc/84/20/02/784842002.db2.gz DGBRENFNBRONJX-YJBOKZPZSA-N 0 3 320.433 2.384 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001007332580 784889348 /nfs/dbraw/zinc/88/93/48/784889348.db2.gz JIJJPIROTRGREY-INIZCTEOSA-N 0 3 312.417 2.413 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(CCC(C)(C)O)CC1 ZINC001171230588 791074234 /nfs/dbraw/zinc/07/42/34/791074234.db2.gz FCEJVDALQFQJDP-INIZCTEOSA-N 0 3 315.461 2.268 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001007634567 784964673 /nfs/dbraw/zinc/96/46/73/784964673.db2.gz IFFFEXXPQCVXTK-CQSZACIVSA-N 0 3 307.463 2.459 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001007651729 784969538 /nfs/dbraw/zinc/96/95/38/784969538.db2.gz UBXOALZYRHNYTR-HRCADAONSA-N 0 3 302.443 2.456 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001007707696 784980568 /nfs/dbraw/zinc/98/05/68/784980568.db2.gz UKPSAFWOVRNOGL-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001007786923 785005112 /nfs/dbraw/zinc/00/51/12/785005112.db2.gz PKMZJQAFNFEXEE-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001007874676 785032652 /nfs/dbraw/zinc/03/26/52/785032652.db2.gz GITALRVXUSTZTA-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001007964710 785061102 /nfs/dbraw/zinc/06/11/02/785061102.db2.gz XHJSAQKPIUGIGV-WMZOPIPTSA-N 0 3 314.404 2.459 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001008115707 785110589 /nfs/dbraw/zinc/11/05/89/785110589.db2.gz WHENHSCYDSUHHG-KRWDZBQOSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001008344720 785179536 /nfs/dbraw/zinc/17/95/36/785179536.db2.gz SBXFCNCKLBUGPF-HNNXBMFYSA-N 0 3 305.422 2.112 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001008344702 785179789 /nfs/dbraw/zinc/17/97/89/785179789.db2.gz SWAOFWWYPDDHML-CQSZACIVSA-N 0 3 306.356 2.111 20 30 DEEDHN Cc1ccc(C(=NO)Nc2cc3c(cc2[N+](=O)[O-])CNC3)nc1 ZINC001169412246 785184782 /nfs/dbraw/zinc/18/47/82/785184782.db2.gz QVLKXBOJZDQMAR-UHFFFAOYSA-N 0 3 313.317 2.149 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C(C)C)nn2C)C1 ZINC001091308186 791092423 /nfs/dbraw/zinc/09/24/23/791092423.db2.gz PMBOWYHESYYECK-UHFFFAOYSA-N 0 3 324.856 2.394 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1cn(CC)nn1 ZINC001169707224 785317842 /nfs/dbraw/zinc/31/78/42/785317842.db2.gz ZDWBYVYEWFYWFI-CQSZACIVSA-N 0 3 307.442 2.029 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001008870686 785319071 /nfs/dbraw/zinc/31/90/71/785319071.db2.gz PWEVEXROLOWJLN-INIZCTEOSA-N 0 3 300.402 2.221 20 30 DEEDHN COc1nscc1CNCCCC[C@H](C)NC(=O)[C@H](C)C#N ZINC001169821703 785379772 /nfs/dbraw/zinc/37/97/72/785379772.db2.gz MUFSAPYAJPRLRB-NEPJUHHUSA-N 0 3 324.450 2.076 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001009296500 785424858 /nfs/dbraw/zinc/42/48/58/785424858.db2.gz TWXDABMGZQVHIL-SJORKVTESA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001009317248 785428091 /nfs/dbraw/zinc/42/80/91/785428091.db2.gz DEWPKGVPBBJNRT-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001009421205 785451715 /nfs/dbraw/zinc/45/17/15/785451715.db2.gz CLKJNXKMWXWJHR-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009438332 785452765 /nfs/dbraw/zinc/45/27/65/785452765.db2.gz WNOJFJCHRCNXRT-OAHLLOKOSA-N 0 3 304.821 2.486 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001009591595 785488614 /nfs/dbraw/zinc/48/86/14/785488614.db2.gz YMAHEAOECKXZNV-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2csc(COC)n2)C1 ZINC001009700615 785506728 /nfs/dbraw/zinc/50/67/28/785506728.db2.gz CDHVGGVMTMUJJC-LBPRGKRZSA-N 0 3 309.435 2.060 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001109004985 785666556 /nfs/dbraw/zinc/66/65/56/785666556.db2.gz QAMRQHZGMPOFHF-AYDLDTFMSA-N 0 3 304.434 2.267 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC001086530530 785748571 /nfs/dbraw/zinc/74/85/71/785748571.db2.gz DDZZAJAKRSWAQA-MQMHXKEQSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(CCC3)C1)C2 ZINC001109620897 785961781 /nfs/dbraw/zinc/96/17/81/785961781.db2.gz SNMYXVUWNSURDC-IKGGRYGDSA-N 0 3 318.461 2.491 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H](O)C1 ZINC001090433290 786129123 /nfs/dbraw/zinc/12/91/23/786129123.db2.gz PNESHKSTWRGCNY-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCO2)CCCCC1 ZINC001115395105 786400355 /nfs/dbraw/zinc/40/03/55/786400355.db2.gz DCSQVGGOERVNAX-ZDUSSCGKSA-N 0 3 300.830 2.327 20 30 DEEDHN CCCCCCCN1CCN(C(=O)Cn2cncc2C)CC1 ZINC001113111059 786404082 /nfs/dbraw/zinc/40/40/82/786404082.db2.gz DQLHKBPOLWPBNB-UHFFFAOYSA-N 0 3 306.454 2.306 20 30 DEEDHN C=CCCCN1CCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC001113256381 786483731 /nfs/dbraw/zinc/48/37/31/786483731.db2.gz DYBVNZNWTVZWMP-GDBMZVCRSA-N 0 3 316.449 2.186 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001113335328 786531742 /nfs/dbraw/zinc/53/17/42/786531742.db2.gz LQUPLXRZOZEAFB-CABCVRRESA-N 0 3 316.449 2.329 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014593046 786652934 /nfs/dbraw/zinc/65/29/34/786652934.db2.gz GCHCFRFUYSJYCX-MRXNPFEDSA-N 0 3 310.397 2.498 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC001113621981 786732613 /nfs/dbraw/zinc/73/26/13/786732613.db2.gz APYMYGGFMXLSHG-AWEZNQCLSA-N 0 3 318.465 2.458 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)CCCCNCc1ccn(C)n1 ZINC001170283509 786900298 /nfs/dbraw/zinc/90/02/98/786900298.db2.gz UABZFYKQJWMIIX-MRXNPFEDSA-N 0 3 318.465 2.378 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157719074 786922489 /nfs/dbraw/zinc/92/24/89/786922489.db2.gz QRNRSRUSADSWDW-UHFFFAOYSA-N 0 3 317.389 2.240 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2COc3ccc(Cl)cc32)C1 ZINC001015271742 786969283 /nfs/dbraw/zinc/96/92/83/786969283.db2.gz IXNZJKCAOOLXBB-UKRRQHHQSA-N 0 3 318.804 2.030 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c(Br)c2)C1 ZINC001015305349 786994249 /nfs/dbraw/zinc/99/42/49/786994249.db2.gz YWCVNYKQJCBQFH-NSHDSACASA-N 0 3 312.211 2.157 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001015454186 787059669 /nfs/dbraw/zinc/05/96/69/787059669.db2.gz AYSCZMHDWMMUMJ-GFCCVEGCSA-N 0 3 313.323 2.481 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@@H]3CCCCO3)C2)cc1 ZINC001015481198 787077088 /nfs/dbraw/zinc/07/70/88/787077088.db2.gz DCKBZAYNNMQZBT-ROUUACIJSA-N 0 3 312.413 2.041 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001114237821 787176979 /nfs/dbraw/zinc/17/69/79/787176979.db2.gz TYHGPKPQGQFRIU-DZFIZOCASA-N 0 3 314.404 2.362 20 30 DEEDHN O=C(C#CC1CC1)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114254053 787185553 /nfs/dbraw/zinc/18/55/53/787185553.db2.gz YVLRYDCLPVVHKO-PIMHHCNHSA-N 0 3 306.409 2.160 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1ccnc(Cl)c1 ZINC001129514593 787222989 /nfs/dbraw/zinc/22/29/89/787222989.db2.gz XAXIYVJSXVBQNE-UHFFFAOYSA-N 0 3 318.808 2.242 20 30 DEEDHN CCCc1cc(C(=O)NCCNCc2cccc(C#N)c2)ccn1 ZINC001129939311 787260494 /nfs/dbraw/zinc/26/04/94/787260494.db2.gz WDNBKFBGMMFKDD-UHFFFAOYSA-N 0 3 322.412 2.425 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)C1CCC1 ZINC001130130960 787293070 /nfs/dbraw/zinc/29/30/70/787293070.db2.gz AEQMFOCQTSNCKO-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001130399433 787387516 /nfs/dbraw/zinc/38/75/16/787387516.db2.gz VOBVJNQHXHKGJG-ZFWWWQNUSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(C)=C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130647223 787450848 /nfs/dbraw/zinc/45/08/48/787450848.db2.gz XQZCUXNHNMZCPX-DOTOQJQBSA-N 0 3 316.449 2.237 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)c(F)c(F)c1)C2 ZINC001096053300 787477738 /nfs/dbraw/zinc/47/77/38/787477738.db2.gz JWEWYTMPLSSAJR-UGFHNGPFSA-N 0 3 322.330 2.462 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(N(C)C)c1)C2 ZINC001096094517 787501152 /nfs/dbraw/zinc/50/11/52/787501152.db2.gz ATZZEASCKPFYJI-PMPSAXMXSA-N 0 3 314.433 2.059 20 30 DEEDHN Cc1cncc(CCC(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001131136100 787554312 /nfs/dbraw/zinc/55/43/12/787554312.db2.gz 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787678255 /nfs/dbraw/zinc/67/82/55/787678255.db2.gz CWBOPFPIHXGRKZ-QFBILLFUSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@H](C)O2 ZINC001131682174 787682948 /nfs/dbraw/zinc/68/29/48/787682948.db2.gz MBXZTCWUBCVAMM-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CCOCC)C2)C1 ZINC001131676522 787686893 /nfs/dbraw/zinc/68/68/93/787686893.db2.gz BBIMIJUUZBZFCA-AEFFLSMTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)noc1C)C2 ZINC001096531906 787712580 /nfs/dbraw/zinc/71/25/80/787712580.db2.gz WTQJGHGRSYDNAH-KBMXLJTQSA-N 0 3 303.406 2.132 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCOCC3)C2 ZINC001096682711 787792468 /nfs/dbraw/zinc/79/24/68/787792468.db2.gz IUEYNJVXZRENNZ-WCVJEAGWSA-N 0 3 304.434 2.101 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cncc(C)c2)CC[C@H]1C ZINC001131930406 787804080 /nfs/dbraw/zinc/80/40/80/787804080.db2.gz FUQFVQHTCLNUOL-WBVHZDCISA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC=C)C1 ZINC001131937872 787821648 /nfs/dbraw/zinc/82/16/48/787821648.db2.gz ATJBKVOKLFTVGD-IAGOWNOFSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001131946734 787829980 /nfs/dbraw/zinc/82/99/80/787829980.db2.gz MHXPVOGPAZAHKO-NVXWUHKLSA-N 0 3 302.418 2.358 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cc[nH]c2C)CC[C@H]1C ZINC001131950081 787836490 /nfs/dbraw/zinc/83/64/90/787836490.db2.gz IPYYCXNEZWGVTJ-UKRRQHHQSA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCc2ccoc2)CC[C@H]1C ZINC001131965011 787856274 /nfs/dbraw/zinc/85/62/74/787856274.db2.gz OBCFFRZVSKXKJZ-WBVHZDCISA-N 0 3 320.433 2.384 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)C1(C)CCCC1 ZINC001132016192 787894656 /nfs/dbraw/zinc/89/46/56/787894656.db2.gz BQRGACYXCITDOS-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)OCCCN1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132034208 787899231 /nfs/dbraw/zinc/89/92/31/787899231.db2.gz PISHXQBTFGYHRG-RDJZCZTQSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132038005 787901409 /nfs/dbraw/zinc/90/14/09/787901409.db2.gz MCIXYBBUIFLBBI-HZPDHXFCSA-N 0 3 306.450 2.208 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132061155 787909808 /nfs/dbraw/zinc/90/98/08/787909808.db2.gz PIQMKQNBVWUFID-HOTGVXAUSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132214421 787968875 /nfs/dbraw/zinc/96/88/75/787968875.db2.gz HMLQGKFFIILOTA-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cc(C)on2)CC[C@H]1C ZINC001132296390 788017194 /nfs/dbraw/zinc/01/71/94/788017194.db2.gz QBMPQQFODFHBDA-CJNGLKHVSA-N 0 3 305.422 2.461 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCn2nc(C)cc2C)CC[C@@H]1C ZINC001132330541 788029820 /nfs/dbraw/zinc/02/98/20/788029820.db2.gz JAALYEHOPVODAR-RDJZCZTQSA-N 0 3 318.465 2.435 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2cccc(C)c2)CC[C@@H]1C ZINC001132487342 788092457 /nfs/dbraw/zinc/09/24/57/788092457.db2.gz UMDKNCXLJCNAIO-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCc2nc(CC)no2)CC[C@H]1C ZINC001132485832 788098783 /nfs/dbraw/zinc/09/87/83/788098783.db2.gz KBXNJVLBLCDFBF-KGLIPLIRSA-N 0 3 320.437 2.110 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCC(=O)N(CC)CC)CC[C@@H]1C ZINC001132505721 788108169 /nfs/dbraw/zinc/10/81/69/788108169.db2.gz UYPAAXKXWLDREU-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C/C(C)=C\CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132515828 788112869 /nfs/dbraw/zinc/11/28/69/788112869.db2.gz LUAGADGMCQMEFK-PQMHYQBVSA-N 0 3 301.365 2.426 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCO)C2)CCCC1 ZINC001132546610 788120498 /nfs/dbraw/zinc/12/04/98/788120498.db2.gz OOXDFEBOACLLQP-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cn3ccnc13)C2 ZINC001097579576 788139652 /nfs/dbraw/zinc/13/96/52/788139652.db2.gz WROMBAAJERNTDL-OIISXLGYSA-N 0 3 322.412 2.001 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](C)[C@H](CNCc2cscn2)C1 ZINC001132813987 788200292 /nfs/dbraw/zinc/20/02/92/788200292.db2.gz SYYOSMSUGANUEB-HUUCEWRRSA-N 0 3 319.474 2.377 20 30 DEEDHN Cc1ncc(CNC[C@H]2CN(C(=O)C#CC(C)C)CC[C@H]2C)o1 ZINC001132809244 788205098 /nfs/dbraw/zinc/20/50/98/788205098.db2.gz NFARNICLOUYEDW-ZBFHGGJFSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)C2 ZINC001098019742 788337716 /nfs/dbraw/zinc/33/77/16/788337716.db2.gz KIVULRFCOFXERM-ALYAQQCSSA-N 0 3 304.434 2.265 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001098019948 788339317 /nfs/dbraw/zinc/33/93/17/788339317.db2.gz WASARJVEGYIFSV-LEOABGAYSA-N 0 3 310.413 2.049 20 30 DEEDHN CC1(C(=O)NCCNCc2ccc(C#N)c(F)c2)CC=CC1 ZINC001133328817 788363581 /nfs/dbraw/zinc/36/35/81/788363581.db2.gz ZVCJOZQWRJLCAF-UHFFFAOYSA-N 0 3 301.365 2.259 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)COCCC ZINC001133389254 788399388 /nfs/dbraw/zinc/39/93/88/788399388.db2.gz SDAOHQCWIWLDIF-UHFFFAOYSA-N 0 3 322.836 2.318 20 30 DEEDHN Cc1ccoc1CC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001133578213 788508724 /nfs/dbraw/zinc/50/87/24/788508724.db2.gz USQCGWGBUNFPBA-UHFFFAOYSA-N 0 3 315.348 2.047 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CCOCC ZINC001133900373 788670777 /nfs/dbraw/zinc/67/07/77/788670777.db2.gz IALOPJLFYRYDHN-VXGBXAGGSA-N 0 3 321.259 2.195 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC001134129809 788768442 /nfs/dbraw/zinc/76/84/42/788768442.db2.gz RZZLZIMRKAFVGI-HZPDHXFCSA-N 0 3 309.369 2.161 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(OC)no1 ZINC001134119749 788771076 /nfs/dbraw/zinc/77/10/76/788771076.db2.gz XEZQOQSVYKCYNA-ZIAGYGMSSA-N 0 3 321.421 2.250 20 30 DEEDHN C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134407173 788906752 /nfs/dbraw/zinc/90/67/52/788906752.db2.gz AABYYLDZSLGIGB-CHWSQXEVSA-N 0 3 315.421 2.411 20 30 DEEDHN C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134417933 788922156 /nfs/dbraw/zinc/92/21/56/788922156.db2.gz BPOWLEBWAAEBDP-NWDGAFQWSA-N 0 3 301.394 2.021 20 30 DEEDHN C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001134710945 789046201 /nfs/dbraw/zinc/04/62/01/789046201.db2.gz CAZZIRRZDZODAD-NEPJUHHUSA-N 0 3 318.421 2.122 20 30 DEEDHN Cc1sccc1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001134841574 789113530 /nfs/dbraw/zinc/11/35/30/789113530.db2.gz OSROEPJAICZCFV-UHFFFAOYSA-N 0 3 319.455 2.438 20 30 DEEDHN C#CCOc1ccc(C(=O)NCCNCc2ccsc2)cc1 ZINC001134950580 789142779 /nfs/dbraw/zinc/14/27/79/789142779.db2.gz PPTAGXMSJYIRSS-UHFFFAOYSA-N 0 3 314.410 2.280 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1cnco1 ZINC001135116415 789205199 /nfs/dbraw/zinc/20/51/99/789205199.db2.gz UAKCEZUBPILRFG-QWHCGFSZSA-N 0 3 312.373 2.233 20 30 DEEDHN C=C(C)CN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(C)C)n1 ZINC001070602356 789397630 /nfs/dbraw/zinc/39/76/30/789397630.db2.gz PQCGYBHWQNUJLG-LSDHHAIUSA-N 0 3 320.437 2.143 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135561355 789398357 /nfs/dbraw/zinc/39/83/57/789398357.db2.gz RKZUGXHIIBKMOO-UONOGXRCSA-N 0 3 306.454 2.395 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086761950 789474026 /nfs/dbraw/zinc/47/40/26/789474026.db2.gz GACPXTLJNSGBPG-QGRVMZGNSA-N 0 3 324.852 2.037 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC001086769614 789492450 /nfs/dbraw/zinc/49/24/50/789492450.db2.gz SJPVVEUNKVEAJR-XJKSGUPXSA-N 0 3 324.384 2.235 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccnc2OC)C1 ZINC001086792446 789507210 /nfs/dbraw/zinc/50/72/10/789507210.db2.gz SMCNIPHQRYMLHC-QWHCGFSZSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100285706 789535438 /nfs/dbraw/zinc/53/54/38/789535438.db2.gz QSGXIZNIQFCLDG-QIMFLAQGSA-N 0 3 321.248 2.117 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C[C@H](C)O2 ZINC001071201779 789588530 /nfs/dbraw/zinc/58/85/30/789588530.db2.gz KSVZVLUQOLIGMI-DOEOUOAPSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CF)CCC1)C[C@@H](C)O2 ZINC001071210012 789594217 /nfs/dbraw/zinc/59/42/17/789594217.db2.gz TTZNNSQRJZQUAH-CRAIPNDOSA-N 0 3 324.440 2.394 20 30 DEEDHN CC(C)[C@H]1C[C@@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001136061320 789614048 /nfs/dbraw/zinc/61/40/48/789614048.db2.gz LVKGLJUAUYZNHK-CABCVRRESA-N 0 3 303.381 2.195 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001071261450 789615603 /nfs/dbraw/zinc/61/56/03/789615603.db2.gz YCUJOWLHQWJOLL-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnn2C(F)F)CC[C@@H]1C ZINC001071534288 789764169 /nfs/dbraw/zinc/76/41/69/789764169.db2.gz PBVYMHOKMNQPRV-NWDGAFQWSA-N 0 3 312.364 2.437 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cn3ccccc3n2)CC[C@H]1C ZINC001071607619 789809667 /nfs/dbraw/zinc/80/96/67/789809667.db2.gz QKVGUIQUOXVMJB-CABCVRRESA-N 0 3 312.417 2.032 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)CC[C@@H]1C ZINC001071675151 789855955 /nfs/dbraw/zinc/85/59/55/789855955.db2.gz CHWBSVAJTGWCKL-BBRMVZONSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C3CC3)on2)CC[C@H]1C ZINC001071715601 789882315 /nfs/dbraw/zinc/88/23/15/789882315.db2.gz IMFCODUGRBSAEP-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)CC[C@@H]1C ZINC001071817293 789927557 /nfs/dbraw/zinc/92/75/57/789927557.db2.gz DJZMBABDPVWLDJ-KBPBESRZSA-N 0 3 303.406 2.254 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccncc2Cl)CC[C@@H]1C ZINC001071820883 789929076 /nfs/dbraw/zinc/92/90/76/789929076.db2.gz FZADGEUUNVSPBF-DZGCQCFKSA-N 0 3 319.836 2.270 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(CC)cn2)CC[C@@H]1C ZINC001071827966 789933877 /nfs/dbraw/zinc/93/38/77/789933877.db2.gz HBYZMOCMMWPLQZ-YOEHRIQHSA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnnc3ccccc32)CC[C@H]1C ZINC001071855871 789944684 /nfs/dbraw/zinc/94/46/84/789944684.db2.gz YHNCIEFLSVRQEU-CABCVRRESA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2csc3cncn32)CC[C@H]1C ZINC001071858084 789945632 /nfs/dbraw/zinc/94/56/32/789945632.db2.gz NRZIJPQAWSDZSH-OLZOCXBDSA-N 0 3 316.430 2.002 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccn3ccnc23)CC[C@H]1C ZINC001071882793 789957035 /nfs/dbraw/zinc/95/70/35/789957035.db2.gz AIHIENLMTSYFFK-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2c(C)noc2Cl)CC[C@@H]1C ZINC001071891053 789960678 /nfs/dbraw/zinc/96/06/78/789960678.db2.gz WMZCGLJGFUGMNR-WCQYABFASA-N 0 3 323.824 2.171 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3[nH]cnc32)CC[C@H]1C ZINC001071924364 789975133 /nfs/dbraw/zinc/97/51/33/789975133.db2.gz VVOOZZAXHLEZDQ-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)CC[C@H]1C ZINC001072036293 790024858 /nfs/dbraw/zinc/02/48/58/790024858.db2.gz ASSSYSKAJDQROK-CZUORRHYSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)CC[C@H]1C ZINC001072095758 790050355 /nfs/dbraw/zinc/05/03/55/790050355.db2.gz NWOHUBSYGGIPFD-ZIAGYGMSSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c[nH]c3ncccc23)CC[C@@H]1C ZINC001072109098 790055954 /nfs/dbraw/zinc/05/59/54/790055954.db2.gz BJYFDDJZDMRRTQ-ZFWWWQNUSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)CC[C@@H]1C ZINC001072110120 790057396 /nfs/dbraw/zinc/05/73/96/790057396.db2.gz SKGWYFXBONWOOO-GJZGRUSLSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnc([C@H](C)OC)s3)C2)C1 ZINC001072738322 790234097 /nfs/dbraw/zinc/23/40/97/790234097.db2.gz OLYOLUHWPKXHGP-LBPRGKRZSA-N 0 3 321.446 2.184 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3cc(C)ccc3F)C2)C1 ZINC001072735835 790234526 /nfs/dbraw/zinc/23/45/26/790234526.db2.gz SPPQMVTWQNTEQG-UHFFFAOYSA-N 0 3 318.392 2.233 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)[C@H]1C ZINC001074927482 791394603 /nfs/dbraw/zinc/39/46/03/791394603.db2.gz HGVIHGMRWJSJCQ-RDBSUJKOSA-N 0 3 310.829 2.166 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001075018288 791432046 /nfs/dbraw/zinc/43/20/46/791432046.db2.gz ZCOYVISSYSDSOK-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C[C@H]1CN(C(=O)C(F)F)CC[C@@H]1CNCc1ccccc1C#N ZINC001075184140 791502208 /nfs/dbraw/zinc/50/22/08/791502208.db2.gz XOVLSSSDOQETHI-GXTWGEPZSA-N 0 3 321.371 2.398 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001147422596 791538741 /nfs/dbraw/zinc/53/87/41/791538741.db2.gz SLHWVJPHAKKUNG-INIZCTEOSA-N 0 3 320.458 2.110 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCN(Cc1cnccc1C)C2 ZINC001147440669 791547447 /nfs/dbraw/zinc/54/74/47/791547447.db2.gz OBPRDHBODTVYTQ-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3(CCOCC)CCC3)C2)C1 ZINC001147558125 791568892 /nfs/dbraw/zinc/56/88/92/791568892.db2.gz LWILRPWQPFMIED-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCCC3CCOCC3)C2)C1 ZINC001147676859 791593052 /nfs/dbraw/zinc/59/30/52/791593052.db2.gz YLSOKQZKHGZCDZ-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)SC)C[C@@H](C)O2 ZINC001098563465 791652527 /nfs/dbraw/zinc/65/25/27/791652527.db2.gz YBPWKKPJMFKJKG-ZIAGYGMSSA-N 0 3 312.479 2.006 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cscn1)C[C@H](C)O2 ZINC001098570622 791654365 /nfs/dbraw/zinc/65/43/65/791654365.db2.gz JUWLJMKIJZBYSN-ZDUSSCGKSA-N 0 3 321.446 2.025 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1CCC3)C[C@@H](C)O2 ZINC001098619557 791664129 /nfs/dbraw/zinc/66/41/29/791664129.db2.gz GZCYKWIZFMGYIY-GPMSIDNRSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC3(C2)CCN(CCOCC2CC2)C3)C1 ZINC001148272407 791727396 /nfs/dbraw/zinc/72/73/96/791727396.db2.gz PANHXCHZGDIOEE-UHFFFAOYSA-N 0 3 318.461 2.304 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C[C@]2(C)C1 ZINC001091721715 791747384 /nfs/dbraw/zinc/74/73/84/791747384.db2.gz JVZZYBXXQYRRSM-LZWOXQAQSA-N 0 3 310.388 2.225 20 30 DEEDHN CNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=N)N)cc1 ZINC001148650203 791781288 /nfs/dbraw/zinc/78/12/88/791781288.db2.gz GJDGMMMZVYUNOL-UHFFFAOYSA-N 0 3 308.345 2.158 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001091737904 791784131 /nfs/dbraw/zinc/78/41/31/791784131.db2.gz QVALLNUWYGQCGI-APWZRJJASA-N 0 3 311.429 2.091 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)SC)C2)CC1 ZINC001086905313 791844220 /nfs/dbraw/zinc/84/42/20/791844220.db2.gz XQWONDPAHWQAHH-LSDHHAIUSA-N 0 3 308.491 2.464 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCCO3)C2)CC1 ZINC001086906432 791844285 /nfs/dbraw/zinc/84/42/85/791844285.db2.gz YEMGSOZLMUSTPY-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CCC2(C[C@@H](C)N(C(=O)C(=O)C(C)(C)C)C2)CC1 ZINC001086910474 791847784 /nfs/dbraw/zinc/84/77/84/791847784.db2.gz UVXCTNQOZFXNMD-CQSZACIVSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccccc3OCC=C)C[C@]2(C)C1 ZINC001091794031 791883904 /nfs/dbraw/zinc/88/39/04/791883904.db2.gz XWQXGJVRTAIXFR-UZLBHIALSA-N 0 3 324.424 2.279 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccnc3C3CC3)C[C@]2(C)C1 ZINC001091819743 791891234 /nfs/dbraw/zinc/89/12/34/791891234.db2.gz HMNHHKRUIIBJID-UZLBHIALSA-N 0 3 323.440 2.376 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@]2(C)C1 ZINC001091828049 791892588 /nfs/dbraw/zinc/89/25/88/791892588.db2.gz ABFHOWBKFCAZGH-QRWLVFNGSA-N 0 3 321.424 2.205 20 30 DEEDHN CC[NH+](CC)Cc1cc(OC)ccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171369209 791892674 /nfs/dbraw/zinc/89/26/74/791892674.db2.gz QRCDJHQIMFSMLK-LRDDRELGSA-N 0 3 321.421 2.185 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC001091879348 791897379 /nfs/dbraw/zinc/89/73/79/791897379.db2.gz ITEZBCAMVHVBQK-DARIXABFSA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc[nH]c3C3CCC3)C[C@]2(C)C1 ZINC001092011937 791922652 /nfs/dbraw/zinc/92/26/52/791922652.db2.gz IVJQZWIUUSNBPB-BEFAXECRSA-N 0 3 311.429 2.309 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@]2(C)C1 ZINC001092089456 791930696 /nfs/dbraw/zinc/93/06/96/791930696.db2.gz VOQJSSRFWOKBFH-NTDBWNAOSA-N 0 3 300.446 2.226 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccccc3OC)C[C@]2(C)C1 ZINC001092221105 791948726 /nfs/dbraw/zinc/94/87/26/791948726.db2.gz UQPUUNZESCKIMZ-BEFAXECRSA-N 0 3 312.413 2.112 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)C[C@]2(C)C1 ZINC001092264569 791956924 /nfs/dbraw/zinc/95/69/24/791956924.db2.gz LPPRKLIFBLVXSK-QUCCMNQESA-N 0 3 308.425 2.202 20 30 DEEDHN C=CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO)c1ccccc1 ZINC001110130733 791984269 /nfs/dbraw/zinc/98/42/69/791984269.db2.gz BPIVUUDFYBTVSJ-OWSLCNJRSA-N 0 3 314.429 2.060 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CC(OCC)C2)C1 ZINC001098989061 792019095 /nfs/dbraw/zinc/01/90/95/792019095.db2.gz RBCSCRZGBNJFLJ-OLECLDRESA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ocnc2C2CC2)C1 ZINC001099025984 792045848 /nfs/dbraw/zinc/04/58/48/792045848.db2.gz PVOSPDQIMLIUCK-KSSFIOAISA-N 0 3 313.401 2.160 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)NC(=O)CC ZINC001099092265 792088431 /nfs/dbraw/zinc/08/84/31/792088431.db2.gz ANBZLDYCUIPTRA-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C(F)F)c2)C1 ZINC001099095828 792091061 /nfs/dbraw/zinc/09/10/61/792091061.db2.gz DJWDAXAFVVEPDZ-BBRMVZONSA-N 0 3 324.375 2.439 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1nccn1C ZINC001099148798 792116124 /nfs/dbraw/zinc/11/61/24/792116124.db2.gz JTEOOHMGVGGYAZ-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C(F)(F)F ZINC001099223041 792142498 /nfs/dbraw/zinc/14/24/98/792142498.db2.gz CNXXXOQSPPTZFO-CHWSQXEVSA-N 0 3 318.339 2.236 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cscn1 ZINC001099257166 792154572 /nfs/dbraw/zinc/15/45/72/792154572.db2.gz BMQLEEWYTYAVQZ-AWEZNQCLSA-N 0 3 307.463 2.478 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCc2ccc(C)cc2)C[C@@H]1O ZINC001099727548 792330918 /nfs/dbraw/zinc/33/09/18/792330918.db2.gz QMTHGOLSKBHNAX-ROUUACIJSA-N 0 3 316.445 2.055 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2cocn2)CC1 ZINC001093361038 792340017 /nfs/dbraw/zinc/34/00/17/792340017.db2.gz HCXZFOFAZZSYQS-INIZCTEOSA-N 0 3 313.401 2.015 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099962829 792422254 /nfs/dbraw/zinc/42/22/54/792422254.db2.gz UVYNTAGJYYRTKG-ZWKOTPCHSA-N 0 3 318.461 2.232 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C=C2CCC2)C1 ZINC001100240324 792537929 /nfs/dbraw/zinc/53/79/29/792537929.db2.gz NHDZYTHBBPUOQK-UHFFFAOYSA-N 0 3 313.239 2.490 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100595342 792738787 /nfs/dbraw/zinc/73/87/87/792738787.db2.gz UFKHUTOEQCWLSA-IUDNXUCKSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3nccc4[nH]ccc43)CCC[C@@H]12 ZINC001094513118 792957266 /nfs/dbraw/zinc/95/72/66/792957266.db2.gz ICEPNMSIPXVSQQ-VQIMIIECSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnoc3C3CC3)CCC[C@@H]12 ZINC001094549271 792993052 /nfs/dbraw/zinc/99/30/52/792993052.db2.gz DXHGBYKDWKPUCS-CRAIPNDOSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3c(C)nsc3C)CCC[C@@H]12 ZINC001094586562 793012510 /nfs/dbraw/zinc/01/25/10/793012510.db2.gz OGUDNAKQOFEOHY-RHSMWYFYSA-N 0 3 317.458 2.368 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(C(C)(C)CNCc2ccon2)CC1 ZINC001101522224 793205388 /nfs/dbraw/zinc/20/53/88/793205388.db2.gz QKXVJBIVZKZDDN-ZDUSSCGKSA-N 0 3 318.421 2.189 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NCc1cncs1 ZINC001214590886 793492995 /nfs/dbraw/zinc/49/29/95/793492995.db2.gz DCKCWTUWWXLPAJ-TZMCWYRMSA-N 0 3 305.447 2.129 20 30 DEEDHN C#CCN(CC#C)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172815082 793506732 /nfs/dbraw/zinc/50/67/32/793506732.db2.gz DZNTVBIADNFQMN-XYPWUTKMSA-N 0 3 300.402 2.261 20 30 DEEDHN COC[C@@H]1CCCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981134 793549731 /nfs/dbraw/zinc/54/97/31/793549731.db2.gz SYGTTZBCYBYYKJ-ILXRZTDVSA-N 0 3 323.437 2.389 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102328285 793575250 /nfs/dbraw/zinc/57/52/50/793575250.db2.gz CQQRACJJIPOZDJ-RKVPGOIHSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H]1CCO[C@@H](C)C1 ZINC001173173441 793618058 /nfs/dbraw/zinc/61/80/58/793618058.db2.gz PRPZUAKOBJGYHO-DZKIICNBSA-N 0 3 305.422 2.089 20 30 DEEDHN Cc1cc(CNC2CCN(C(=O)c3ccc(C#N)cc3)CC2)on1 ZINC001173421948 793725473 /nfs/dbraw/zinc/72/54/73/793725473.db2.gz HTYZIVVRBRNIBD-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)C[C@H]1C ZINC001102762621 793745276 /nfs/dbraw/zinc/74/52/76/793745276.db2.gz IRQYTLXPOHVUSD-VNHYZAJKSA-N 0 3 319.453 2.215 20 30 DEEDHN COc1cnc(N2CCN(C3CCC(C)(C#N)CC3)CC2)nc1 ZINC001173597414 793776626 /nfs/dbraw/zinc/77/66/26/793776626.db2.gz SFSQKYNMGBRLNI-UHFFFAOYSA-N 0 3 315.421 2.080 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001174849187 794085608 /nfs/dbraw/zinc/08/56/08/794085608.db2.gz KRPIWIWFMIYNRJ-GJZGRUSLSA-N 0 3 321.469 2.182 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ncccc1OC(C)C ZINC001174943365 794108484 /nfs/dbraw/zinc/10/84/84/794108484.db2.gz RTEIIWHDCLTYAU-UHFFFAOYSA-N 0 3 311.813 2.331 20 30 DEEDHN Cc1nc(C)c(CNCC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)o1 ZINC001104004964 794342253 /nfs/dbraw/zinc/34/22/53/794342253.db2.gz PKIOTEBTMKUPMI-YWPYICTPSA-N 0 3 318.421 2.025 20 30 DEEDHN C=CCCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnns2)C1 ZINC001111618878 794443002 /nfs/dbraw/zinc/44/30/02/794443002.db2.gz WWXJRRFORFNQLP-WFASDCNBSA-N 0 3 306.435 2.089 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1C(F)(F)F ZINC001112083661 794556797 /nfs/dbraw/zinc/55/67/97/794556797.db2.gz MOUCCVPWCUEYOO-IJLUTSLNSA-N 0 3 302.340 2.035 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1C(F)(F)F ZINC001112087600 794558278 /nfs/dbraw/zinc/55/82/78/794558278.db2.gz LQYLAVGFMYVOTH-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001177214677 794601995 /nfs/dbraw/zinc/60/19/95/794601995.db2.gz OFURSEXDDBYLPH-PFVFBNAMSA-N 0 3 323.440 2.446 20 30 DEEDHN CCOCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001177827478 794750153 /nfs/dbraw/zinc/75/01/53/794750153.db2.gz MKPTWOGXYLFRKS-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN O=C(C#CC1CC1)NCC1(NCc2ccccn2)CCCCC1 ZINC001115527213 794810049 /nfs/dbraw/zinc/81/00/49/794810049.db2.gz HAVNZEYEGGJFHK-UHFFFAOYSA-N 0 3 311.429 2.404 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cncn2C)CCCCC1 ZINC001115617219 794844657 /nfs/dbraw/zinc/84/46/57/794844657.db2.gz KAAOBZUDLCZAQE-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN CC[C@@H](OC)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178281990 794883217 /nfs/dbraw/zinc/88/32/17/794883217.db2.gz HJMJSFIHHBCTFI-RYQLBKOJSA-N 0 3 314.429 2.042 20 30 DEEDHN C#CCCCC(=O)NCCCCCCN[C@H](C)c1nnc(C)[nH]1 ZINC001178330892 794890468 /nfs/dbraw/zinc/89/04/68/794890468.db2.gz DKUKJXCVANADCC-CQSZACIVSA-N 0 3 319.453 2.244 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCC(=O)N(CCC)CCC)[C@@H]1C ZINC001178324779 794900908 /nfs/dbraw/zinc/90/09/08/794900908.db2.gz ZSFDSQUKXMLQAU-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2ncc[nH]2)CCCCC1 ZINC001115788487 794919903 /nfs/dbraw/zinc/91/99/03/794919903.db2.gz IIVVAUWJCTYLLN-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)[C@@H]1CC1(F)F ZINC001178632229 794962017 /nfs/dbraw/zinc/96/20/17/794962017.db2.gz KMQCVBIPFJEQMC-BPUTZDHNSA-N 0 3 318.367 2.272 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@@H](O)COc2ccc(OCC)cc2)C1 ZINC001116556741 794968387 /nfs/dbraw/zinc/96/83/87/794968387.db2.gz RZCNWPLDDYJYDR-QAPCUYQASA-N 0 3 321.417 2.102 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001178795068 794995124 /nfs/dbraw/zinc/99/51/24/794995124.db2.gz IDRGGTBCYBHLNW-HOCLYGCPSA-N 0 3 318.465 2.410 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001179380849 795109201 /nfs/dbraw/zinc/10/92/01/795109201.db2.gz RJVDFOABPBOJPP-UBHSHLNASA-N 0 3 318.421 2.038 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001179384248 795110592 /nfs/dbraw/zinc/11/05/92/795110592.db2.gz HTOZBGJNQPJXHA-QRTARXTBSA-N 0 3 316.449 2.466 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCCCC)[C@@H]1C ZINC001179384805 795110798 /nfs/dbraw/zinc/11/07/98/795110798.db2.gz WZSTZAOJAKPDAB-JYJNAYRXSA-N 0 3 323.481 2.084 20 30 DEEDHN CN(CC(=O)N(CCC#N)Cc1cccnc1)C1CCCC1 ZINC001180626297 795336895 /nfs/dbraw/zinc/33/68/95/795336895.db2.gz LGQJQJPSCSYXJA-UHFFFAOYSA-N 0 3 300.406 2.198 20 30 DEEDHN CN(CCC(=O)N/C=C/C(=O)C(F)(F)F)Cc1ccccc1 ZINC001181142132 795429917 /nfs/dbraw/zinc/42/99/17/795429917.db2.gz QMWWURXWAUZKRP-VQHVLOKHSA-N 0 3 314.307 2.270 20 30 DEEDHN NC(=NC(=O)C12CCN(CC1)CC2)c1ccc2cc(O)ccc2c1 ZINC001181552980 795494414 /nfs/dbraw/zinc/49/44/14/795494414.db2.gz RSRMHORDGNUGHN-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CC2(CC(NC/C(Cl)=C\Cl)C2)C1 ZINC001120854338 795543969 /nfs/dbraw/zinc/54/39/69/795543969.db2.gz PMZQQVYQLONJCS-AELRGWLASA-N 0 3 316.232 2.482 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)c1 ZINC001120908442 795555923 /nfs/dbraw/zinc/55/59/23/795555923.db2.gz ZJWKHDZVGXJUIH-INIZCTEOSA-N 0 3 315.417 2.259 20 30 DEEDHN C#CCCCC(=O)NC1CC2(CC(NCc3cnc(C)o3)C2)C1 ZINC001121026999 795579356 /nfs/dbraw/zinc/57/93/56/795579356.db2.gz YIQPCAMGSUOSKN-UHFFFAOYSA-N 0 3 315.417 2.304 20 30 DEEDHN O=C(C#CC1CC1)NC1CC2(CC(NCc3nccs3)C2)C1 ZINC001121076936 795587132 /nfs/dbraw/zinc/58/71/32/795587132.db2.gz JKUULAXZJOLLCE-UHFFFAOYSA-N 0 3 315.442 2.074 20 30 DEEDHN CS[C@H](C)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182097276 795610543 /nfs/dbraw/zinc/61/05/43/795610543.db2.gz JLGPQQHZZPUMEU-VXGBXAGGSA-N 0 3 323.487 2.452 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2coc3c2cccc3OC)C1 ZINC001182598237 795705686 /nfs/dbraw/zinc/70/56/86/795705686.db2.gz AIEZJOGTCAXZKF-CYBMUJFWSA-N 0 3 312.369 2.269 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1csc(Br)n1 ZINC001183038528 795793857 /nfs/dbraw/zinc/79/38/57/795793857.db2.gz AOIDZGJASOEYTB-UHFFFAOYSA-N 0 3 316.224 2.496 20 30 DEEDHN C#Cc1ccccc1CC(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001123246948 795878837 /nfs/dbraw/zinc/87/88/37/795878837.db2.gz DSXKZJALZXGOOB-SFHVURJKSA-N 0 3 313.397 2.007 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2sc(C)nc2CC(C)C)C1 ZINC001183986373 795964934 /nfs/dbraw/zinc/96/49/34/795964934.db2.gz ZIWMIUOZRYUTDM-CQSZACIVSA-N 0 3 319.474 2.477 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cc(OC)no2)[C@H](C)C1 ZINC001184078509 795989754 /nfs/dbraw/zinc/98/97/54/795989754.db2.gz PDZMQTRMHKYBAJ-KGLIPLIRSA-N 0 3 321.421 2.224 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2cnns2)[C@H](C)C1 ZINC001184497802 796066541 /nfs/dbraw/zinc/06/65/41/796066541.db2.gz NCILGNASNNDBHC-ZIAGYGMSSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCNCc1cc(F)cc(F)c1 ZINC001124484818 796071072 /nfs/dbraw/zinc/07/10/72/796071072.db2.gz ZTJJLSSPBSQDNF-LBPRGKRZSA-N 0 3 312.360 2.152 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001184646444 796099513 /nfs/dbraw/zinc/09/95/13/796099513.db2.gz YZWNGVMKUKHPGM-VZFGUZNESA-N 0 3 300.830 2.158 20 30 DEEDHN COCCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC001184732842 796117155 /nfs/dbraw/zinc/11/71/55/796117155.db2.gz HVQGFBQXTZGIMD-UHFFFAOYSA-N 0 3 316.405 2.133 20 30 DEEDHN OC[C@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C[C@@H]1O ZINC001138335350 796198611 /nfs/dbraw/zinc/19/86/11/796198611.db2.gz NUIJWTOCHJBKPV-RTWAWAEBSA-N 0 3 321.420 2.262 20 30 DEEDHN C#CCOc1ccc(CN2CCCC3(COC3)C2)cc1OC ZINC001138343085 796200620 /nfs/dbraw/zinc/20/06/20/796200620.db2.gz GJLCDBHOYSQAKO-UHFFFAOYSA-N 0 3 301.386 2.320 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c(Cl)cncc2Cl)C1 ZINC001185378387 796244557 /nfs/dbraw/zinc/24/45/57/796244557.db2.gz SZBXXIZRMMRKCS-SNVBAGLBSA-N 0 3 312.200 2.216 20 30 DEEDHN COc1ccc(CNC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001185520959 796276136 /nfs/dbraw/zinc/27/61/36/796276136.db2.gz CZNXAKFKFVTSTE-CQSZACIVSA-N 0 3 318.398 2.179 20 30 DEEDHN Cc1ncoc1CN[C@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202878077 796303251 /nfs/dbraw/zinc/30/32/51/796303251.db2.gz QWWFFJDRGAKALH-HOTGVXAUSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCOc1ccccc1CN1CCC2(CCC(=O)N2)CC1 ZINC001139031311 796311693 /nfs/dbraw/zinc/31/16/93/796311693.db2.gz USXZUKVAYUTZDX-UHFFFAOYSA-N 0 3 300.402 2.496 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCc2ccc(F)cc2)C1 ZINC001185873173 796324936 /nfs/dbraw/zinc/32/49/36/796324936.db2.gz VEAWMFBCBJSAEM-QGZVFWFLSA-N 0 3 302.393 2.362 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001186041484 796354899 /nfs/dbraw/zinc/35/48/99/796354899.db2.gz ORJSWXOTUZAIHX-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H](NC[C@H](F)CC)C2)cc1 ZINC001186164152 796364354 /nfs/dbraw/zinc/36/43/54/796364354.db2.gz NEVGEXYYASJWKG-HZPDHXFCSA-N 0 3 318.392 2.251 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001186155053 796368595 /nfs/dbraw/zinc/36/85/95/796368595.db2.gz IQJAYNOAMLNIAX-CYBMUJFWSA-N 0 3 315.398 2.231 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CC(C)(C)CO1 ZINC001110379067 796388045 /nfs/dbraw/zinc/38/80/45/796388045.db2.gz UJZCIKJGTHVCCN-QXSJWSMHSA-N 0 3 306.450 2.489 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnoc2-c2ccccc2)C1 ZINC001186717889 796438442 /nfs/dbraw/zinc/43/84/42/796438442.db2.gz PNGMFKMWWQUMPB-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001139869780 796439277 /nfs/dbraw/zinc/43/92/77/796439277.db2.gz SXNUZNCLGLLDAA-KRWDZBQOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cccnn1)CC2 ZINC001139971965 796453346 /nfs/dbraw/zinc/45/33/46/796453346.db2.gz HBUFENYHOFYWLW-KRWDZBQOSA-N 0 3 300.406 2.010 20 30 DEEDHN N#CCSCC(=O)N1CC[C@H]2CN(CC3=CCCCC3)C[C@H]21 ZINC001186917467 796463238 /nfs/dbraw/zinc/46/32/38/796463238.db2.gz QJLMUUFDEWIHLK-JKSUJKDBSA-N 0 3 319.474 2.276 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)CC12CC2 ZINC001140118798 796479745 /nfs/dbraw/zinc/47/97/45/796479745.db2.gz IPFLJWPQLLBQLT-OAHLLOKOSA-N 0 3 309.369 2.425 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC001187269798 796511701 /nfs/dbraw/zinc/51/17/01/796511701.db2.gz ZKCVJFLVISZGKO-GFCCVEGCSA-N 0 3 315.398 2.231 20 30 DEEDHN COC(=O)c1ccc(CN2CCC3SC(=O)C=C3C2)s1 ZINC001140517931 796533442 /nfs/dbraw/zinc/53/34/42/796533442.db2.gz DNTMZSHZWRWLHQ-LLVKDONJSA-N 0 3 309.412 2.309 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CC2)OC(=O)c2ncccc23)cn1 ZINC001140545981 796537450 /nfs/dbraw/zinc/53/74/50/796537450.db2.gz RQCHSLVAAQWRKS-UHFFFAOYSA-N 0 3 320.352 2.010 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1cnc2[nH]ccc2c1 ZINC001187559246 796545526 /nfs/dbraw/zinc/54/55/26/796545526.db2.gz UUCDTEFIKZQJSH-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2[nH]cc(C)c2C)CC1 ZINC001140864646 796586186 /nfs/dbraw/zinc/58/61/86/796586186.db2.gz ZXBMAIXFLYMGIG-UHFFFAOYSA-N 0 3 316.493 2.423 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001188087421 796625891 /nfs/dbraw/zinc/62/58/91/796625891.db2.gz RQCFFIFEYBLNDK-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1ocnc1C)CC2 ZINC001141050952 796626408 /nfs/dbraw/zinc/62/64/08/796626408.db2.gz MIAREACVMLKGFI-UHFFFAOYSA-N 0 3 305.378 2.203 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001188235334 796647201 /nfs/dbraw/zinc/64/72/01/796647201.db2.gz BSCTWEOKNNTGQP-IEBWSBKVSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)[C@@H]2C1 ZINC001188286573 796655481 /nfs/dbraw/zinc/65/54/81/796655481.db2.gz WJWKDKBAPHJZBH-YESZJQIVSA-N 0 3 316.449 2.189 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2nc(C)oc2c1 ZINC000838624419 796671578 /nfs/dbraw/zinc/67/15/78/796671578.db2.gz YCKHPDACKVDAMB-UHFFFAOYSA-N 0 3 300.362 2.213 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)CCCC1 ZINC001188490237 796674532 /nfs/dbraw/zinc/67/45/32/796674532.db2.gz LYQMBPLCBUAEBL-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN CN(C)C1(C)CN(Cc2cc(C#N)ccc2Br)C1 ZINC001141660629 796682953 /nfs/dbraw/zinc/68/29/53/796682953.db2.gz DRTRPASYXWYBSA-UHFFFAOYSA-N 0 3 308.223 2.457 20 30 DEEDHN CC(=O)OCc1ccc(CN2CCC3SC(=O)C=C3C2)o1 ZINC001141783998 796690675 /nfs/dbraw/zinc/69/06/75/796690675.db2.gz LCUWZZWCOMQNSN-AWEZNQCLSA-N 0 3 307.371 2.117 20 30 DEEDHN O=C(/C=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC001142005290 796706158 /nfs/dbraw/zinc/70/61/58/796706158.db2.gz YSMSQOJTZMCBDB-VSZOKUSCSA-N 0 3 316.376 2.009 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001110401419 796713136 /nfs/dbraw/zinc/71/31/36/796713136.db2.gz CGPKFFJBQKHLPG-MXYBEHONSA-N 0 3 303.431 2.172 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)CCOC[C@@H]2CCCCO2)C1 ZINC001189317781 796807137 /nfs/dbraw/zinc/80/71/37/796807137.db2.gz DOGCJDMNWYLSNR-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001149583480 796871309 /nfs/dbraw/zinc/87/13/09/796871309.db2.gz NRMLHOICIXVLIG-UHFFFAOYSA-N 0 3 322.408 2.323 20 30 DEEDHN CCOc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001149598874 796874282 /nfs/dbraw/zinc/87/42/82/796874282.db2.gz OJEYXUDOZRQJBZ-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001189865786 796892928 /nfs/dbraw/zinc/89/29/28/796892928.db2.gz GSMMPHIXTWSBEJ-GFCCVEGCSA-N 0 3 312.797 2.282 20 30 DEEDHN C[C@@H](Oc1ccccc1)C(=O)NCCNCc1cccc(C#N)c1 ZINC001149777474 796893882 /nfs/dbraw/zinc/89/38/82/796893882.db2.gz AOYNVTNSXTZFOJ-OAHLLOKOSA-N 0 3 323.396 2.232 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)C[C@@H](O)c2ccccc2)C1 ZINC001189910423 796900521 /nfs/dbraw/zinc/90/05/21/796900521.db2.gz OXBLMHMTGPGTNO-QZTJIDSGSA-N 0 3 314.429 2.056 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189917025 796902668 /nfs/dbraw/zinc/90/26/68/796902668.db2.gz BQZCIBKPGQOOKS-SJLPKXTDSA-N 0 3 320.408 2.186 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ccccn2)CC1 ZINC001150876955 796986179 /nfs/dbraw/zinc/98/61/79/796986179.db2.gz SXOAQSUWBMWHMX-UHFFFAOYSA-N 0 3 317.433 2.259 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2cccn2C)CC1 ZINC001150954241 796994763 /nfs/dbraw/zinc/99/47/63/796994763.db2.gz IANKVCYPKKBRNS-UHFFFAOYSA-N 0 3 319.449 2.202 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2scnc2C)CC1 ZINC001150971127 796996817 /nfs/dbraw/zinc/99/68/17/796996817.db2.gz YWNHFXZQFBQILL-UHFFFAOYSA-N 0 3 323.462 2.238 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CC[C@H]2CCCO2)CC1 ZINC001150985309 796998320 /nfs/dbraw/zinc/99/83/20/796998320.db2.gz CLANKNZAELOFHS-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cccc3cccnc32)C[C@H]1C ZINC001206641153 797043087 /nfs/dbraw/zinc/04/30/87/797043087.db2.gz PQMJJEHONJLDTL-JJRVBVJISA-N 0 3 322.412 2.331 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC001190667433 797043447 /nfs/dbraw/zinc/04/34/47/797043447.db2.gz UXAHULWGMHYEQG-AWEZNQCLSA-N 0 3 324.371 2.314 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001190717866 797054717 /nfs/dbraw/zinc/05/47/17/797054717.db2.gz PDTCFLJUOZNCLF-IAGOWNOFSA-N 0 3 304.434 2.432 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccco2)C1 ZINC001191005093 797122251 /nfs/dbraw/zinc/12/22/51/797122251.db2.gz OLILPNYBXSCXIN-IAGOWNOFSA-N 0 3 322.449 2.344 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@H](C)OC ZINC001152154136 797151461 /nfs/dbraw/zinc/15/14/61/797151461.db2.gz VUHBXKJPDUABDC-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC(C)(C)O ZINC001153047196 797277156 /nfs/dbraw/zinc/27/71/56/797277156.db2.gz QPQLGKBVRYUAKL-CQSZACIVSA-N 0 3 317.433 2.046 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001153135615 797290637 /nfs/dbraw/zinc/29/06/37/797290637.db2.gz VWCGPJADLBOOTK-ZBEGNZNMSA-N 0 3 324.371 2.249 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCO[C@@H]2CC2(F)F)C1 ZINC001192093540 797316282 /nfs/dbraw/zinc/31/62/82/797316282.db2.gz LLHJRGVFEZLTJT-UONOGXRCSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001192093926 797325720 /nfs/dbraw/zinc/32/57/20/797325720.db2.gz OBXYCNQQEACLAO-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001153407917 797334363 /nfs/dbraw/zinc/33/43/63/797334363.db2.gz QLBOXRMXLLJEHL-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001153566622 797355163 /nfs/dbraw/zinc/35/51/63/797355163.db2.gz IBDPGBBHFPLAFG-SJLPKXTDSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnn1[C@@H](C)CC ZINC001153667084 797373107 /nfs/dbraw/zinc/37/31/07/797373107.db2.gz KSEMMWNMIBKIQL-LSDHHAIUSA-N 0 3 304.438 2.318 20 30 DEEDHN CC[C@@H](CC(F)F)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001153783464 797393452 /nfs/dbraw/zinc/39/34/52/797393452.db2.gz IFZBEMUJRUIIJL-KGLIPLIRSA-N 0 3 318.408 2.144 20 30 DEEDHN CC#CCN(C)[C@H]1CCN(C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001192868427 797457297 /nfs/dbraw/zinc/45/72/97/797457297.db2.gz WUNYASALLSUFQW-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN CC#CCN(C)[C@H]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001192868427 797457300 /nfs/dbraw/zinc/45/73/00/797457300.db2.gz WUNYASALLSUFQW-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)OCc1ccc(C)cc1 ZINC001154488365 797544658 /nfs/dbraw/zinc/54/46/58/797544658.db2.gz FEVWALNXEXZYFD-IAGOWNOFSA-N 0 3 316.445 2.360 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001193551151 797590364 /nfs/dbraw/zinc/59/03/64/797590364.db2.gz NHNGVWDRGGJYBR-IAGOWNOFSA-N 0 3 319.449 2.175 20 30 DEEDHN CC(C)OCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001154850109 797626331 /nfs/dbraw/zinc/62/63/31/797626331.db2.gz QXZSTTMLRKMXIL-UHFFFAOYSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001193829233 797632565 /nfs/dbraw/zinc/63/25/65/797632565.db2.gz ZAEBOOWWCIVJFQ-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN CCSCCC(=O)NCCCNCc1ccccc1C#N ZINC001155082426 797676471 /nfs/dbraw/zinc/67/64/71/797676471.db2.gz WMHIYGFVSOHDHJ-UHFFFAOYSA-N 0 3 305.447 2.297 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncsc1C1CC1 ZINC001155221508 797711475 /nfs/dbraw/zinc/71/14/75/797711475.db2.gz LNTWDSMRXJIRMG-GFCCVEGCSA-N 0 3 305.447 2.484 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccn2cc(C)nc2c1 ZINC001155231012 797713593 /nfs/dbraw/zinc/71/35/93/797713593.db2.gz DXFWQVGVTBTNHU-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN C[C@H](N)c1nc2ccccc2n1-c1ncnc2[nH]cc(C#N)c21 ZINC001155248153 797717920 /nfs/dbraw/zinc/71/79/20/797717920.db2.gz PZXDQPUCPULHCM-VIFPVBQESA-N 0 3 303.329 2.188 20 30 DEEDHN C[C@H](N)c1nc2ccccc2n1-c1ncc2c(C#N)c[nH]c2n1 ZINC001155258315 797720180 /nfs/dbraw/zinc/72/01/80/797720180.db2.gz OIAXPXQHDCGNTQ-VIFPVBQESA-N 0 3 303.329 2.188 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 ZINC001194809321 797780633 /nfs/dbraw/zinc/78/06/33/797780633.db2.gz UWFODZDRIIUPSE-BFHYXJOUSA-N 0 3 320.424 2.409 20 30 DEEDHN N#Cc1cc2c(nc1N[C@H]1CNCc3ccsc31)CCOC2 ZINC001155565979 797792340 /nfs/dbraw/zinc/79/23/40/797792340.db2.gz XAAGHEOCPSFVPP-AWEZNQCLSA-N 0 3 312.398 2.344 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccc(C)c(F)c1 ZINC001155593971 797798488 /nfs/dbraw/zinc/79/84/88/797798488.db2.gz UXBQFWKUGKWLGP-UHFFFAOYSA-N 0 3 321.396 2.135 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001155649909 797815858 /nfs/dbraw/zinc/81/58/58/797815858.db2.gz QGFPYOWDOVTCJB-CYBMUJFWSA-N 0 3 311.385 2.014 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCC2CCCCC2)C[C@H]1O ZINC001195307372 797875687 /nfs/dbraw/zinc/87/56/87/797875687.db2.gz USQZFGDTKOWIBU-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001155900246 797877405 /nfs/dbraw/zinc/87/74/05/797877405.db2.gz IHXMYZJCVOVLTH-CRAIPNDOSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001195339466 797882315 /nfs/dbraw/zinc/88/23/15/797882315.db2.gz YMHIXBDHQYOKSM-BTDMYGSTSA-N 0 3 320.477 2.478 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001195532557 797921548 /nfs/dbraw/zinc/92/15/48/797921548.db2.gz PWXDQNIBVUQVCV-VOKIUTFUSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCc1c(C)onc1CC ZINC001156160308 797935802 /nfs/dbraw/zinc/93/58/02/797935802.db2.gz RHCSCQGGEVAVIU-UHFFFAOYSA-N 0 3 323.437 2.124 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001156240992 797955854 /nfs/dbraw/zinc/95/58/54/797955854.db2.gz TVDXQRJKPUWMJG-CQSZACIVSA-N 0 3 301.434 2.357 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001196083586 798003404 /nfs/dbraw/zinc/00/34/04/798003404.db2.gz REXJWTWWJWBSQO-IAOVAPTHSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC001196092932 798005762 /nfs/dbraw/zinc/00/57/62/798005762.db2.gz PXAYSCVMHXTZNM-UHFFFAOYSA-N 0 3 310.829 2.486 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OC)cc1 ZINC001156573543 798032511 /nfs/dbraw/zinc/03/25/11/798032511.db2.gz JDRREJOFQOXZTE-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2ncc(F)cc2F)CC1 ZINC001196294906 798036854 /nfs/dbraw/zinc/03/68/54/798036854.db2.gz FATRIZJAOVRQQQ-UHFFFAOYSA-N 0 3 309.360 2.474 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc2c(c1)COC2 ZINC001156594717 798037957 /nfs/dbraw/zinc/03/79/57/798037957.db2.gz HMMSYECAQRDSGI-OAHLLOKOSA-N 0 3 314.429 2.109 20 30 DEEDHN C[C@H](C(=O)NCCCNCc1ccccc1C#N)n1cccc1 ZINC001156658010 798055277 /nfs/dbraw/zinc/05/52/77/798055277.db2.gz VVGRNUQGNHEZRF-OAHLLOKOSA-N 0 3 310.401 2.217 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001196665792 798090348 /nfs/dbraw/zinc/09/03/48/798090348.db2.gz GYUYYMZCJSFPPC-NVXWUHKLSA-N 0 3 314.445 2.498 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001196675550 798091962 /nfs/dbraw/zinc/09/19/62/798091962.db2.gz KTGCSWCWDBFSBB-VXGBXAGGSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001196933653 798124492 /nfs/dbraw/zinc/12/44/92/798124492.db2.gz VPWNIDASBAIOJE-KBRIMQKVSA-N 0 3 320.433 2.127 20 30 DEEDHN C=C1CCC(C(=O)N2CCCN(CCC[C@@H](C)O)CC2)CC1 ZINC001197043625 798137204 /nfs/dbraw/zinc/13/72/04/798137204.db2.gz JSBWRRDYXGVMLC-MRXNPFEDSA-N 0 3 308.466 2.428 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)[C@@H](COC)OC)CC1 ZINC001197118611 798151293 /nfs/dbraw/zinc/15/12/93/798151293.db2.gz RSROJGSUJQYSLZ-MRXNPFEDSA-N 0 3 314.470 2.153 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC/C=C\CC)CC1 ZINC001197196528 798160170 /nfs/dbraw/zinc/16/01/70/798160170.db2.gz VMJGNOHQESILRF-DJAVDHGHSA-N 0 3 306.450 2.468 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COCCc1ccccc1 ZINC001157287136 798177080 /nfs/dbraw/zinc/17/70/80/798177080.db2.gz DMEPUMUNKPCWNS-QGZVFWFLSA-N 0 3 316.445 2.096 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001198344323 798319967 /nfs/dbraw/zinc/31/99/67/798319967.db2.gz SVKATFLDMVMGOC-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C=C(C)CCN[C@H](CNC(=O)[C@@H](C)OC)c1ccccc1OC ZINC001198577717 798357593 /nfs/dbraw/zinc/35/75/93/798357593.db2.gz LEQAGIJZCWFXEA-GDBMZVCRSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCOCC(=O)NC[C@H](NCCCF)c1ccccc1OC ZINC001198605383 798366224 /nfs/dbraw/zinc/36/62/24/798366224.db2.gz GJUOOUUSSWVXOD-HNNXBMFYSA-N 0 3 324.396 2.004 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)[C@H](C)C#N)NCCC1CC1 ZINC001198618323 798376760 /nfs/dbraw/zinc/37/67/60/798376760.db2.gz YGMUHTQCHMEXBB-CZUORRHYSA-N 0 3 315.417 2.402 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2nonc2c1 ZINC001158426838 798405091 /nfs/dbraw/zinc/40/50/91/798405091.db2.gz PJSUFVSJKHROTA-CQSZACIVSA-N 0 3 314.389 2.335 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cccnc1C ZINC001158468088 798411534 /nfs/dbraw/zinc/41/15/34/798411534.db2.gz NHUCBNZMHVOGBM-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001198956163 798420968 /nfs/dbraw/zinc/42/09/68/798420968.db2.gz RARAHOFAJFBVNO-KZNAEPCWSA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CNC(=O)CCC(C)C ZINC001158611572 798437118 /nfs/dbraw/zinc/43/71/18/798437118.db2.gz JXNVPMKGESWOLD-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)Cc1ccco1 ZINC001158625671 798439996 /nfs/dbraw/zinc/43/99/96/798439996.db2.gz UNXKKAZWNSWGQN-MRXNPFEDSA-N 0 3 320.433 2.338 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC(NCc2cc(C)no2)CC1 ZINC001199659355 798516117 /nfs/dbraw/zinc/51/61/17/798516117.db2.gz QVHZJPFWEIEHCD-CQSZACIVSA-N 0 3 321.421 2.045 20 30 DEEDHN CC[C@@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2)OC ZINC001110543949 798559132 /nfs/dbraw/zinc/55/91/32/798559132.db2.gz OZJRRDQMGPVJGO-QXSJWSMHSA-N 0 3 306.450 2.182 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001110545788 798573789 /nfs/dbraw/zinc/57/37/89/798573789.db2.gz APTVHVOWNLYTQV-HPBDAGMYSA-N 0 3 316.445 2.247 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2cnccc2C)C1 ZINC001200074935 798580661 /nfs/dbraw/zinc/58/06/61/798580661.db2.gz SAJTVPLPTFDGOX-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C(C)=C2CCCC2)CCCO1 ZINC001200236935 798600755 /nfs/dbraw/zinc/60/07/55/798600755.db2.gz CWOUSRCGERABQR-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCc2ccoc2)CC1 ZINC001159774175 798606911 /nfs/dbraw/zinc/60/69/11/798606911.db2.gz LOPAWDKUYCYZJL-UHFFFAOYSA-N 0 3 300.402 2.374 20 30 DEEDHN N#Cc1nc(Cl)ccc1NC(=S)NCCN1CCCCC1 ZINC001200417723 798624549 /nfs/dbraw/zinc/62/45/49/798624549.db2.gz BPTPLHQEBNCILG-UHFFFAOYSA-N 0 3 323.853 2.379 20 30 DEEDHN COc1cc(C#N)cc(NC(=S)NCCN2CCCCC2)c1 ZINC001200432618 798636443 /nfs/dbraw/zinc/63/64/43/798636443.db2.gz BJMKMKGUFFZRMC-UHFFFAOYSA-N 0 3 318.446 2.339 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@@H](CNCc2cncs2)C1 ZINC001200628297 798658554 /nfs/dbraw/zinc/65/85/54/798658554.db2.gz SVNZQENOWCEQRR-AWEZNQCLSA-N 0 3 323.462 2.207 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2c(F)cncc2F)CC1 ZINC001160257957 798667466 /nfs/dbraw/zinc/66/74/66/798667466.db2.gz LFRMYBNTUIZGJH-UHFFFAOYSA-N 0 3 319.355 2.135 20 30 DEEDHN N#Cc1cnc(Cl)cc1-n1nc(-c2ccncc2)cc1CN ZINC001160337785 798677349 /nfs/dbraw/zinc/67/73/49/798677349.db2.gz LJFTXIDFBQTGJG-UHFFFAOYSA-N 0 3 310.748 2.313 20 30 DEEDHN N#Cc1cnc(-n2nc(-c3ccncc3)cc2CN)c(Cl)c1 ZINC001160337394 798677466 /nfs/dbraw/zinc/67/74/66/798677466.db2.gz BAGMBELQXPQXNQ-UHFFFAOYSA-N 0 3 310.748 2.313 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001160522096 798699499 /nfs/dbraw/zinc/69/94/99/798699499.db2.gz TVYAMAWZZUNEIQ-CQSZACIVSA-N 0 3 312.845 2.319 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cnc3ccccn23)CC1 ZINC001160559074 798705396 /nfs/dbraw/zinc/70/53/96/798705396.db2.gz BTXOUTLAHCYUOB-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)CCc2cncc(C)c2)CC1 ZINC001160634930 798713703 /nfs/dbraw/zinc/71/37/03/798713703.db2.gz IHXNHRUKJAQJAX-UHFFFAOYSA-N 0 3 311.429 2.094 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@@H](CNCc2cncs2)C1 ZINC001201292111 798731005 /nfs/dbraw/zinc/73/10/05/798731005.db2.gz CLZOBZIQILYMPP-AWEZNQCLSA-N 0 3 323.462 2.207 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](CCC)C(C)C)CCCO1 ZINC001201545451 798767602 /nfs/dbraw/zinc/76/76/02/798767602.db2.gz DCNWYZSAGYXOFI-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C#Cc1cncc(C(=O)Nc2ccc(CN(C)C)cc2OC)c1 ZINC001161204496 798809850 /nfs/dbraw/zinc/80/98/50/798809850.db2.gz JCLDYWJHUAOOCW-UHFFFAOYSA-N 0 3 309.369 2.385 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CC=C(C)CC2)CCCO1 ZINC001202126414 798830271 /nfs/dbraw/zinc/83/02/71/798830271.db2.gz UDMYMZLKKUZRRZ-MJGOQNOKSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cnoc2CC)CC1 ZINC001161383391 798841482 /nfs/dbraw/zinc/84/14/82/798841482.db2.gz VZTPAYJLUZVJIX-UHFFFAOYSA-N 0 3 301.390 2.012 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCCO1 ZINC001202251775 798845578 /nfs/dbraw/zinc/84/55/78/798845578.db2.gz VSGBCLQFXXRRDG-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN COC(=O)CCCN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001202253729 798845631 /nfs/dbraw/zinc/84/56/31/798845631.db2.gz VKSHRLCZNYIJSO-MRXNPFEDSA-N 0 3 302.374 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C=CCN1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209157003 801139162 /nfs/dbraw/zinc/13/91/62/801139162.db2.gz GRHAPUSMMZHOQC-HUUCEWRRSA-N 0 3 304.438 2.019 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(CCCc2ccncc2)C1 ZINC001209192197 801146660 /nfs/dbraw/zinc/14/66/60/801146660.db2.gz YZZIKFBLZHFDOM-INIZCTEOSA-N 0 3 303.406 2.391 20 30 DEEDHN C#CCCCN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001209267609 801162020 /nfs/dbraw/zinc/16/20/20/801162020.db2.gz ROKLLICHIQFUQP-YESZJQIVSA-N 0 3 300.402 2.353 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COCc2ccccc2C)C1 ZINC001209318399 801168939 /nfs/dbraw/zinc/16/89/39/801168939.db2.gz MOCHDQZDFYQBGZ-NVXWUHKLSA-N 0 3 302.418 2.134 20 30 DEEDHN O=C(N1CCC[C@H](NCC#Cc2ccccc2)C1)C1(CF)CC1 ZINC001209568116 801221762 /nfs/dbraw/zinc/22/17/62/801221762.db2.gz KJBBYKCZHOXVFP-KRWDZBQOSA-N 0 3 314.404 2.368 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)c(C)c3)C[C@H]1N2C ZINC001229213249 801241285 /nfs/dbraw/zinc/24/12/85/801241285.db2.gz OFDILFVRXLXMKC-DZJNRPSUSA-N 0 3 314.385 2.412 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cnccc1N)C2 ZINC001209725110 801265365 /nfs/dbraw/zinc/26/53/65/801265365.db2.gz HDRPUNKLALFTPA-ZWKOTPCHSA-N 0 3 317.433 2.068 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001210245155 801358140 /nfs/dbraw/zinc/35/81/40/801358140.db2.gz ZNQQKXTXMPFYKN-NXHRZFHOSA-N 0 3 315.461 2.302 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCC(C)(C)C)C1 ZINC001210254745 801359589 /nfs/dbraw/zinc/35/95/89/801359589.db2.gz PRXDTUNEFKQFNI-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC001230118087 801363151 /nfs/dbraw/zinc/36/31/51/801363151.db2.gz BOJQXHIPHKYQIA-UHFFFAOYSA-N 0 3 324.371 2.362 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001230324637 801386169 /nfs/dbraw/zinc/38/61/69/801386169.db2.gz QWUMVOHSLAFQKV-HZPDHXFCSA-N 0 3 321.421 2.093 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2ccc(C)s2)CC1 ZINC001230344730 801390255 /nfs/dbraw/zinc/39/02/55/801390255.db2.gz IXDYURYDONUURY-UHFFFAOYSA-N 0 3 322.474 2.382 20 30 DEEDHN CC#CCN[C@H]1CCCN(C(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001210697601 801447327 /nfs/dbraw/zinc/44/73/27/801447327.db2.gz GIIRQGLFQOXXOS-HNNXBMFYSA-N 0 3 324.380 2.011 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@@H]1CCCO1)Cc1cccnc1 ZINC001230662919 801455416 /nfs/dbraw/zinc/45/54/16/801455416.db2.gz VQBPEAXUCGRZSO-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2ccccc2F)C1 ZINC001210769130 801460260 /nfs/dbraw/zinc/46/02/60/801460260.db2.gz WBJSZWCMWQCFHM-UKRRQHHQSA-N 0 3 306.381 2.217 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@H](C)CC)Cc1cccnc1 ZINC001230681100 801460386 /nfs/dbraw/zinc/46/03/86/801460386.db2.gz XNOJLJYZMCGAML-MRXNPFEDSA-N 0 3 301.434 2.459 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC001210808510 801466799 /nfs/dbraw/zinc/46/67/99/801466799.db2.gz RKUQPLLVRQYDQG-RDTXWAMCSA-N 0 3 314.429 2.177 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2ccccc2OC)C1 ZINC001210852814 801475318 /nfs/dbraw/zinc/47/53/18/801475318.db2.gz BVJUUCZLIMTKTP-GDBMZVCRSA-N 0 3 302.418 2.250 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2ccccc2C)C1 ZINC001210998538 801498044 /nfs/dbraw/zinc/49/80/44/801498044.db2.gz WRKNJHQDDKTJDH-HZPDHXFCSA-N 0 3 302.418 2.386 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230932412 801531719 /nfs/dbraw/zinc/53/17/19/801531719.db2.gz VCBDQJAKVOSNCF-OAHLLOKOSA-N 0 3 305.422 2.001 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COC2CCC(C)CC2)C1 ZINC001211454242 801568836 /nfs/dbraw/zinc/56/88/36/801568836.db2.gz IBITYJUZJFOLOU-MNAZLIDISA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@H](OC)C1 ZINC001213198873 801581440 /nfs/dbraw/zinc/58/14/40/801581440.db2.gz HXGWDPQJDPZGBF-IAGOWNOFSA-N 0 3 317.433 2.094 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)CC2CC2)cc1C#N ZINC001231139936 801590550 /nfs/dbraw/zinc/59/05/50/801590550.db2.gz YWEUKRAUJUCXAP-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(OCC)n2)C1 ZINC001214301923 801702113 /nfs/dbraw/zinc/70/21/13/801702113.db2.gz OZLIEDHGRMREBJ-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN CC(C)(O)c1ccc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001232824828 801965023 /nfs/dbraw/zinc/96/50/23/801965023.db2.gz JOCBRIDJNTYOGC-CYBMUJFWSA-N 0 3 304.415 2.083 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000328710542 802052855 /nfs/dbraw/zinc/05/28/55/802052855.db2.gz BSVBEESIUDHSBF-CQSZACIVSA-N 0 3 307.438 2.384 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001233492631 802132591 /nfs/dbraw/zinc/13/25/91/802132591.db2.gz XDMKAIAJGDOOKW-DOMZBBRYSA-N 0 3 303.381 2.291 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001233492632 802134566 /nfs/dbraw/zinc/13/45/66/802134566.db2.gz XDMKAIAJGDOOKW-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN N#Cc1c2c(sc1NC(=O)[C@@H]1NCc3ccccc31)CNCC2 ZINC001218553146 802203710 /nfs/dbraw/zinc/20/37/10/802203710.db2.gz NWXJWSCOZYIWGO-OAHLLOKOSA-N 0 3 324.409 2.048 20 30 DEEDHN C[C@@H]1CCN[C@H](C(=O)Nc2ncc(C#N)cc2Br)C1 ZINC001218553115 802204325 /nfs/dbraw/zinc/20/43/25/802204325.db2.gz WEDIVRCEGDHASM-KCJUWKMLSA-N 0 3 323.194 2.042 20 30 DEEDHN N#Cc1c2c(sc1NC(=O)[C@H]1NCc3ccccc31)CNCC2 ZINC001218553141 802204350 /nfs/dbraw/zinc/20/43/50/802204350.db2.gz NWXJWSCOZYIWGO-HNNXBMFYSA-N 0 3 324.409 2.048 20 30 DEEDHN N#Cc1c2c(sc1NC(=O)[C@@H]1CNc3ccccc31)CNCC2 ZINC001218555209 802206225 /nfs/dbraw/zinc/20/62/25/802206225.db2.gz XYTVYEMEPMBDHK-CYBMUJFWSA-N 0 3 324.409 2.413 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@H](C)C(F)(F)F)[C@H]2C1 ZINC001218566218 802206880 /nfs/dbraw/zinc/20/68/80/802206880.db2.gz MAPVJPSPJKDIJQ-RWMBFGLXSA-N 0 3 320.355 2.063 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001233866301 802230038 /nfs/dbraw/zinc/23/00/38/802230038.db2.gz OUEPULFPYZGGSS-ZBFHGGJFSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001233991330 802259704 /nfs/dbraw/zinc/25/97/04/802259704.db2.gz PMCFDUDSXTZGRD-LSDHHAIUSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@@H](O)C1 ZINC001219281708 802306496 /nfs/dbraw/zinc/30/64/96/802306496.db2.gz NOFKNGKQBYIQSM-NMVBRADZSA-N 0 3 306.450 2.250 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H](O)C1 ZINC001219558696 802345751 /nfs/dbraw/zinc/34/57/51/802345751.db2.gz YOHVXWMGJCQHHJ-SJORKVTESA-N 0 3 321.465 2.322 20 30 DEEDHN C=CCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001234403670 802371102 /nfs/dbraw/zinc/37/11/02/802371102.db2.gz XCDZYDWPTDBKIO-CABCVRRESA-N 0 3 304.438 2.115 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001219957124 802394623 /nfs/dbraw/zinc/39/46/23/802394623.db2.gz YKDUMDMZOXBASX-XZJROXQQSA-N 0 3 322.474 2.495 20 30 DEEDHN C=CCCCNC(=O)[C@@H](N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001220484491 802466023 /nfs/dbraw/zinc/46/60/23/802466023.db2.gz GZQULXHQTVIBOH-HNNXBMFYSA-N 0 3 318.417 2.284 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001220556355 802474236 /nfs/dbraw/zinc/47/42/36/802474236.db2.gz SJXGGRNQRCPAGG-OCCSQVGLSA-N 0 3 323.462 2.008 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C=C)c2ccccc2)[C@@H](O)C1 ZINC001221044947 802523302 /nfs/dbraw/zinc/52/33/02/802523302.db2.gz RARAHOFAJFBVNO-KSZLIROESA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C=C)c2ccccc2)[C@@H](O)C1 ZINC001221042331 802523527 /nfs/dbraw/zinc/52/35/27/802523527.db2.gz IVURCRBEEKTKFJ-NXHRZFHOSA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O)c1ccccc1 ZINC001221198742 802535773 /nfs/dbraw/zinc/53/57/73/802535773.db2.gz JFRDFUMSIZSXCY-KSZLIROESA-N 0 3 316.445 2.306 20 30 DEEDHN CC/C=C/CCN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221291599 802550477 /nfs/dbraw/zinc/55/04/77/802550477.db2.gz NIBDAYBOESKRPI-LRPXVYOUSA-N 0 3 307.463 2.132 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)[C@@H]2C1 ZINC001221454318 802575659 /nfs/dbraw/zinc/57/56/59/802575659.db2.gz ALVQUHAGAVRZIS-CGMDNHBQSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001222068757 802636568 /nfs/dbraw/zinc/63/65/68/802636568.db2.gz XIFZXRHLGKGKOR-ZIAGYGMSSA-N 0 3 323.462 2.123 20 30 DEEDHN N#Cc1cc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)ccn1 ZINC001222736677 802734114 /nfs/dbraw/zinc/73/41/14/802734114.db2.gz WDQHPABCNYDBQT-CALCHBBNSA-N 0 3 301.390 2.113 20 30 DEEDHN CC(C)C#CC(=O)NCC1CCN(CCc2ccns2)CC1 ZINC001223122758 802768279 /nfs/dbraw/zinc/76/82/79/802768279.db2.gz NFDHKQNGRHIIET-UHFFFAOYSA-N 0 3 319.474 2.173 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@@H]2CCCC[C@H]2CC)CC1 ZINC001223163921 802770542 /nfs/dbraw/zinc/77/05/42/802770542.db2.gz BERGALAAFRFXRQ-QZTJIDSGSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC001223202823 802772983 /nfs/dbraw/zinc/77/29/83/802772983.db2.gz NGXSJGSABFAMRM-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC001223436653 802789325 /nfs/dbraw/zinc/78/93/25/802789325.db2.gz HXXCTJXPNVMDMG-ROUUACIJSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc3cnccc3c2)CC1 ZINC001223808744 802816722 /nfs/dbraw/zinc/81/67/22/802816722.db2.gz WWKAHVGXFZRMRN-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC001224269566 802853607 /nfs/dbraw/zinc/85/36/07/802853607.db2.gz VDRFUGCBEVODBX-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC001224338176 802859050 /nfs/dbraw/zinc/85/90/50/802859050.db2.gz SFKSUQLPWKUMBO-LBPRGKRZSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(F)cc2Cl)CC1 ZINC001224346905 802859623 /nfs/dbraw/zinc/85/96/23/802859623.db2.gz RNWIKURRCIZUIB-UHFFFAOYSA-N 0 3 322.811 2.483 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)c2ccccc2F)CC1 ZINC001224894193 802914946 /nfs/dbraw/zinc/91/49/46/802914946.db2.gz HUQIAWFYVQDKLC-AWEZNQCLSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001225095716 802935694 /nfs/dbraw/zinc/93/56/94/802935694.db2.gz WUUKUNYFNIUVBU-QZTJIDSGSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001225095719 802935996 /nfs/dbraw/zinc/93/59/96/802935996.db2.gz WUUKUNYFNIUVBU-ZWKOTPCHSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC001225617802 802991473 /nfs/dbraw/zinc/99/14/73/802991473.db2.gz PFWCCTVDKAESGG-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC2CCC(OC)CC2)CC1 ZINC001225694980 803002705 /nfs/dbraw/zinc/00/27/05/803002705.db2.gz TZWCMRVFXPLKJW-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001226072772 803048928 /nfs/dbraw/zinc/04/89/28/803048928.db2.gz HRLUBMGFUJYUGC-IAGOWNOFSA-N 0 3 317.408 2.397 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(C)c3C#N)C[C@H]1N2C ZINC001226920387 803176052 /nfs/dbraw/zinc/17/60/52/803176052.db2.gz QFTVJMLWJIKVQL-KJGCVMFHSA-N 0 3 314.385 2.412 20 30 DEEDHN C=C(C)C[C@@H](NC(=O)c1cc2c(s1)CCNC2)C(=O)OCC ZINC001330935813 1149338700 /nfs/dbraw/zinc/33/87/00/1149338700.db2.gz RNPUMDXSSXESRZ-GFCCVEGCSA-N 0 3 322.430 2.022 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1ccccc1C1CCC1 ZINC001331160755 1149390666 /nfs/dbraw/zinc/39/06/66/1149390666.db2.gz KAHXASJVBQYIMD-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001335262811 1150391226 /nfs/dbraw/zinc/39/12/26/1150391226.db2.gz IHXQLVIDAMWPIK-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCOCC(F)F)C(C)(C)C1 ZINC001328083394 1148716530 /nfs/dbraw/zinc/71/65/30/1148716530.db2.gz UFHUHNKLSCYDCL-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(OC)nc1 ZINC001331535544 1149514813 /nfs/dbraw/zinc/51/48/13/1149514813.db2.gz UJPGUOKGSJTMBL-CYBMUJFWSA-N 0 3 305.422 2.239 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)C3(C)CC(=C)C3)CC2)C1 ZINC001328130804 1148728421 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C=C(C)Cn1c([C@H](O)CC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001343946827 1150786880 /nfs/dbraw/zinc/78/68/80/1150786880.db2.gz DJRAOQKYJZHOFR-HUUCEWRRSA-N 0 3 321.469 2.074 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC001346227880 1150954711 /nfs/dbraw/zinc/95/47/11/1150954711.db2.gz DUUOCAVFYYCJOX-SOUVJXGZSA-N 0 3 300.358 2.458 20 30 DEEDHN C[C@@H](NC(=O)c1nccs1)[C@H](C)NCc1ccc(C#N)s1 ZINC001368887629 1148747491 /nfs/dbraw/zinc/74/74/91/1148747491.db2.gz LXKYKKFBJGLPIV-VHSXEESVSA-N 0 3 320.443 2.373 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2OC)C1 ZINC001522341180 1069342816 /nfs/dbraw/zinc/34/28/16/1069342816.db2.gz FTNYJWBZSWFHFH-NVXWUHKLSA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)CN(CC)CC ZINC001523802353 1069722554 /nfs/dbraw/zinc/72/25/54/1069722554.db2.gz GUVVEEWUNTUFRB-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602753293 1069744900 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ZINC001480383002 1062766792 /nfs/dbraw/zinc/76/67/92/1062766792.db2.gz NRWBNHQADIWTJN-WMZOPIPTSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2ccc(F)cc2)C1 ZINC001480386639 1062770185 /nfs/dbraw/zinc/77/01/85/1062770185.db2.gz KQXWNVLZYOZFIJ-GOEBONIOSA-N 0 3 302.393 2.218 20 30 DEEDHN Cc1cc(CN[C@@H](C)CN(C)C(=O)C#CC(C)(C)C)sn1 ZINC001507072080 1062779569 /nfs/dbraw/zinc/77/95/69/1062779569.db2.gz QTGOJZUCXBFUDR-ZDUSSCGKSA-N 0 3 307.463 2.438 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001368585627 1148509323 /nfs/dbraw/zinc/50/93/23/1148509323.db2.gz AQVBGBUMRMUWDX-MGPQQGTHSA-N 0 3 323.824 2.086 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001480428172 1062850513 /nfs/dbraw/zinc/85/05/13/1062850513.db2.gz UAEYTENGFDKMJF-MNOVXSKESA-N 0 3 309.410 2.043 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C#CC(C)C)cc1F ZINC001480456843 1062890264 /nfs/dbraw/zinc/89/02/64/1062890264.db2.gz DEDYGZGJUVXLBW-CYBMUJFWSA-N 0 3 306.381 2.088 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1cn(C)nc1C(F)F ZINC001480469077 1062906073 /nfs/dbraw/zinc/90/60/73/1062906073.db2.gz PHLNSAYBLOQIEP-LLVKDONJSA-N 0 3 314.380 2.308 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccnc(N(C)C)c1 ZINC001480468785 1062906939 /nfs/dbraw/zinc/90/69/39/1062906939.db2.gz LZNFZSGJDGESOK-AWEZNQCLSA-N 0 3 304.438 2.098 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001327271688 1148509216 /nfs/dbraw/zinc/50/92/16/1148509216.db2.gz SGFWICMXLDGZNU-CEXWTWQISA-N 0 3 310.441 2.376 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CCCCCCC1 ZINC001480499252 1062947561 /nfs/dbraw/zinc/94/75/61/1062947561.db2.gz LPVYGYUSKRERHT-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@@H](CNC(=O)C1(C)CCC1)NCc1ccc(F)c(C#N)c1 ZINC001480518741 1062978381 /nfs/dbraw/zinc/97/83/81/1062978381.db2.gz QQKPGGOWOYDYKT-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001507283491 1063029708 /nfs/dbraw/zinc/02/97/08/1063029708.db2.gz NAJRUIPESMCPSI-HIFRSBDPSA-N 0 3 318.421 2.121 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N(C)C)cc2F)C1 ZINC001507313066 1063079396 /nfs/dbraw/zinc/07/93/96/1063079396.db2.gz KUWBDQRIVASRDO-ZIAGYGMSSA-N 0 3 317.408 2.108 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2cc3n(n2)CCC3)C1 ZINC001507394885 1063224864 /nfs/dbraw/zinc/22/48/64/1063224864.db2.gz ZMSQZMIFARDCFB-CABCVRRESA-N 0 3 316.449 2.170 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC1(C)C ZINC001507444289 1063291119 /nfs/dbraw/zinc/29/11/19/1063291119.db2.gz PMXPRCJFELHVKX-INIZCTEOSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H](O)CN[C@@H](C)c1ccccc1F ZINC001507477346 1063320610 /nfs/dbraw/zinc/32/06/10/1063320610.db2.gz OGSQSWJENZCUQZ-LSDHHAIUSA-N 0 3 320.408 2.099 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CNCc1ccccc1F ZINC001507501749 1063329696 /nfs/dbraw/zinc/32/96/96/1063329696.db2.gz ROLRVPOPUMMOAQ-CRAIPNDOSA-N 0 3 322.424 2.337 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1cc(C)ncn1 ZINC001480784089 1063336692 /nfs/dbraw/zinc/33/66/92/1063336692.db2.gz RCIXRAGIIGJTJC-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)C(C)C ZINC001507824828 1063428729 /nfs/dbraw/zinc/42/87/29/1063428729.db2.gz AVBDNVIQPLTFNZ-RHSMWYFYSA-N 0 3 318.465 2.430 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001507949011 1063476202 /nfs/dbraw/zinc/47/62/02/1063476202.db2.gz QPHDKCBTTPMTOK-ZDUSSCGKSA-N 0 3 321.469 2.336 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](CCC)OCC)CC1 ZINC001508064659 1063531736 /nfs/dbraw/zinc/53/17/36/1063531736.db2.gz XCMUYNDKHIWQHM-NVXWUHKLSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC001508082771 1063543939 /nfs/dbraw/zinc/54/39/39/1063543939.db2.gz KIBYNMZYSKAMHK-YJBOKZPZSA-N 0 3 316.420 2.417 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C1CC(NCc2ccc(F)cc2F)C1 ZINC001508105692 1063560215 /nfs/dbraw/zinc/56/02/15/1063560215.db2.gz VZCIIFVTSUFNGH-FNBIGBAISA-N 0 3 307.344 2.203 20 30 DEEDHN Cc1nsc(C)c1CN1CC[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001493198998 1063633932 /nfs/dbraw/zinc/63/39/32/1063633932.db2.gz HKSRQSJXCHAAEU-HNNXBMFYSA-N 0 3 317.458 2.111 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001493223375 1063650030 /nfs/dbraw/zinc/65/00/30/1063650030.db2.gz OGDRIZQVSQTZSK-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(OC)c(OC)c1)C1CC1 ZINC001493442887 1063796616 /nfs/dbraw/zinc/79/66/16/1063796616.db2.gz JEZKCDIUIGBRFP-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)Cc1ccsc1 ZINC001493467008 1063813766 /nfs/dbraw/zinc/81/37/66/1063813766.db2.gz JSGBIAKZJRIPPN-UHFFFAOYSA-N 0 3 313.426 2.410 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001509051840 1063942643 /nfs/dbraw/zinc/94/26/43/1063942643.db2.gz RECCYDZFFLNNBW-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN CO[C@@H](C)CN[C@@H](CNC(=O)C#CC(C)C)c1ccccc1 ZINC001493888333 1064011393 /nfs/dbraw/zinc/01/13/93/1064011393.db2.gz BQMCKFRMHBSSJM-RDJZCZTQSA-N 0 3 302.418 2.128 20 30 DEEDHN C=CCN[C@@H](CNC(=O)C1(F)CCOCC1)c1ccccc1 ZINC001493888476 1064011619 /nfs/dbraw/zinc/01/16/19/1064011619.db2.gz IGPOUCXNTXRCHJ-HNNXBMFYSA-N 0 3 306.381 2.138 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCC[C@H]1CCN(CCF)C1 ZINC001494069619 1064111689 /nfs/dbraw/zinc/11/16/89/1064111689.db2.gz MLKQNCBPFZIARF-AWEZNQCLSA-N 0 3 321.396 2.058 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)CCN1CCN(CC2CC2)CC1 ZINC001494103069 1064123924 /nfs/dbraw/zinc/12/39/24/1064123924.db2.gz XSMBWLLPIWXDBD-MRXNPFEDSA-N 0 3 307.482 2.075 20 30 DEEDHN CN(C/C=C\Cl)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001494121645 1064128257 /nfs/dbraw/zinc/12/82/57/1064128257.db2.gz FXPBEOVGHQPKER-DTRQGZQOSA-N 0 3 306.797 2.033 20 30 DEEDHN CN(C/C=C/Cl)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001494121649 1064128678 /nfs/dbraw/zinc/12/86/78/1064128678.db2.gz FXPBEOVGHQPKER-FXMSTWTQSA-N 0 3 306.797 2.033 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccc(C)c(F)c1 ZINC001567331922 1064148379 /nfs/dbraw/zinc/14/83/79/1064148379.db2.gz OAQKOICEVKFLOR-UHFFFAOYSA-N 0 3 302.393 2.486 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001567380398 1064172965 /nfs/dbraw/zinc/17/29/65/1064172965.db2.gz OVTLUGUDBLXKDW-IAGOWNOFSA-N 0 3 320.408 2.480 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc(OC)cc1 ZINC001567391502 1064177372 /nfs/dbraw/zinc/17/73/72/1064177372.db2.gz QLGVQWDZYAMWMZ-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc2ccccc2nn1 ZINC001567428186 1064195273 /nfs/dbraw/zinc/19/52/73/1064195273.db2.gz SROKAJKTTBHRJH-UHFFFAOYSA-N 0 3 310.401 2.095 20 30 DEEDHN C=CCN(CCNC(=O)Cn1c(C)nc2ccccc21)C1CC1 ZINC001567442084 1064200279 /nfs/dbraw/zinc/20/02/79/1064200279.db2.gz FTIQMJUXSVBJBZ-UHFFFAOYSA-N 0 3 312.417 2.111 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001567528067 1064237796 /nfs/dbraw/zinc/23/77/96/1064237796.db2.gz GKTOVJSOGWWVPN-HOCLYGCPSA-N 0 3 302.418 2.407 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC001567528068 1064238295 /nfs/dbraw/zinc/23/82/95/1064238295.db2.gz GKTOVJSOGWWVPN-ZBFHGGJFSA-N 0 3 302.418 2.407 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001494562107 1064318567 /nfs/dbraw/zinc/31/85/67/1064318567.db2.gz KYLCQCHKNTYXMC-UHFFFAOYSA-N 0 3 304.821 2.262 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001567707907 1064363732 /nfs/dbraw/zinc/36/37/32/1064363732.db2.gz IRKOEIMDEWFVIN-IRXDYDNUSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2cccc(OC)n2)C1 ZINC001567724092 1064377748 /nfs/dbraw/zinc/37/77/48/1064377748.db2.gz RYQPAROPYZEUNV-HNNXBMFYSA-N 0 3 317.433 2.337 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1CCCN(CCCF)C1)OCC ZINC001567775026 1064415966 /nfs/dbraw/zinc/41/59/66/1064415966.db2.gz NNMXNTFSOJIRDG-LSDHHAIUSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001494709487 1064426761 /nfs/dbraw/zinc/42/67/61/1064426761.db2.gz IQZRLGCXQQYECP-GJZGRUSLSA-N 0 3 304.438 2.163 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001494735894 1064440775 /nfs/dbraw/zinc/44/07/75/1064440775.db2.gz ISGNOBLGHRCLKN-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001567834410 1064451269 /nfs/dbraw/zinc/45/12/69/1064451269.db2.gz XEODSAAKMUMNOD-WMLDXEAASA-N 0 3 314.429 2.407 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001494767451 1064458565 /nfs/dbraw/zinc/45/85/65/1064458565.db2.gz FPXVJUKTUSNAIT-KGLIPLIRSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001567875203 1064475718 /nfs/dbraw/zinc/47/57/18/1064475718.db2.gz BEUKGNZVJTVELK-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(CCOC2CCCCCC2)C1 ZINC001494812204 1064481285 /nfs/dbraw/zinc/48/12/85/1064481285.db2.gz APTULNULCQCBKP-JKSUJKDBSA-N 0 3 321.465 2.418 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001567880918 1064482191 /nfs/dbraw/zinc/48/21/91/1064482191.db2.gz VUBIAOBDSXWINY-NEPJUHHUSA-N 0 3 321.446 2.006 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001494823330 1064490201 /nfs/dbraw/zinc/49/02/01/1064490201.db2.gz VSXJXBZFMVAFKB-PKOBYXMFSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001494895214 1064554935 /nfs/dbraw/zinc/55/49/35/1064554935.db2.gz UMSQDFUFSBOQNF-INIZCTEOSA-N 0 3 317.433 2.129 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2cc(OC)no2)C1 ZINC001494900141 1064555836 /nfs/dbraw/zinc/55/58/36/1064555836.db2.gz JOPFJCNPJBULLM-CQSZACIVSA-N 0 3 321.421 2.115 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2scnc2C)C1 ZINC001494917737 1064573357 /nfs/dbraw/zinc/57/33/57/1064573357.db2.gz NTIHSTJCEUHDEC-AWEZNQCLSA-N 0 3 307.463 2.493 20 30 DEEDHN CC[C@@H](CNC(=O)C(F)F)NCC#Cc1cccc(Cl)c1 ZINC001494929762 1064586049 /nfs/dbraw/zinc/58/60/49/1064586049.db2.gz FUYJZEMQBIEFQA-ZDUSSCGKSA-N 0 3 314.763 2.441 20 30 DEEDHN Cc1cc(CNC[C@@](C)(NC(=O)C#CC2CC2)C2CC2)sn1 ZINC001568019744 1064598690 /nfs/dbraw/zinc/59/86/90/1064598690.db2.gz IAISTXRLWPIXPP-QGZVFWFLSA-N 0 3 317.458 2.239 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1ccc(C#N)s1 ZINC001494984487 1064627324 /nfs/dbraw/zinc/62/73/24/1064627324.db2.gz IOTIIOACYPBIAA-ZDUSSCGKSA-N 0 3 301.415 2.018 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2c(F)cncc2F)cc1 ZINC001568118535 1064655101 /nfs/dbraw/zinc/65/51/01/1064655101.db2.gz WSEIWRZCDREBLW-UHFFFAOYSA-N 0 3 315.323 2.013 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cnc3cc[nH]c3c2)cc1 ZINC001568118763 1064655449 /nfs/dbraw/zinc/65/54/49/1064655449.db2.gz DOBRRIRVJZTAAS-UHFFFAOYSA-N 0 3 318.380 2.216 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cc(Cl)no2)cc1 ZINC001568121631 1064658242 /nfs/dbraw/zinc/65/82/42/1064658242.db2.gz HXOVOKUAPIMPHM-UHFFFAOYSA-N 0 3 317.776 2.371 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNCc1cc(C)ccc1F ZINC001568269398 1064742249 /nfs/dbraw/zinc/74/22/49/1064742249.db2.gz JWIACJKRVSQEHN-KSSFIOAISA-N 0 3 322.424 2.398 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001568363850 1064807354 /nfs/dbraw/zinc/80/73/54/1064807354.db2.gz SDQAQWXBGUVEFL-RHSMWYFYSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cncn1C ZINC001568389629 1064830802 /nfs/dbraw/zinc/83/08/02/1064830802.db2.gz UHFNJSWGJJUIFB-CYBMUJFWSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2ccccc2c(=O)o1 ZINC001568483941 1064902661 /nfs/dbraw/zinc/90/26/61/1064902661.db2.gz DYMJZVCXPYCWBJ-UHFFFAOYSA-N 0 3 314.385 2.373 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001568506143 1064919111 /nfs/dbraw/zinc/91/91/11/1064919111.db2.gz KGKLNKQSOSFYRM-OAHLLOKOSA-N 0 3 304.434 2.450 20 30 DEEDHN Cc1ncccc1CNCc1ccc(CNC(=O)[C@H](C)C#N)cc1 ZINC001495485629 1064938371 /nfs/dbraw/zinc/93/83/71/1064938371.db2.gz QVNKUFWBCBOXQA-CQSZACIVSA-N 0 3 322.412 2.456 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cn(CC)nn1 ZINC001568528393 1064938579 /nfs/dbraw/zinc/93/85/79/1064938579.db2.gz MALOBRKHXVUYLB-GDBMZVCRSA-N 0 3 319.453 2.029 20 30 DEEDHN Cc1cnoc1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001568695385 1065055316 /nfs/dbraw/zinc/05/53/16/1065055316.db2.gz AOLFGXYRTQSJAO-CYBMUJFWSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001568694896 1065055958 /nfs/dbraw/zinc/05/59/58/1065055958.db2.gz QHWBVJAVBRQBFY-CMPLNLGQSA-N 0 3 324.856 2.385 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1n[nH]c2ccccc12 ZINC001568714588 1065070325 /nfs/dbraw/zinc/07/03/25/1065070325.db2.gz WHLLFTSDVQNXBW-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN CCN(CCNCc1ccc(F)cc1)C(=O)c1c[nH]c(C#N)c1 ZINC001568736498 1065087338 /nfs/dbraw/zinc/08/73/38/1065087338.db2.gz FDYXSJQWGBZSHM-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc(OCC)c(OC)c1 ZINC001568797056 1065123677 /nfs/dbraw/zinc/12/36/77/1065123677.db2.gz ULHJUSQVTBCAPR-UHFFFAOYSA-N 0 3 318.417 2.169 20 30 DEEDHN C#CCNCCN(CC)C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001568799445 1065125347 /nfs/dbraw/zinc/12/53/47/1065125347.db2.gz GIXCLEHLEYTIKB-KRWDZBQOSA-N 0 3 302.418 2.260 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2cc(F)c[nH]2)cc1 ZINC001568887655 1065174082 /nfs/dbraw/zinc/17/40/82/1065174082.db2.gz FBCZJRZWJLPSHJ-UPHRSURJSA-N 0 3 312.348 2.101 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CN[C@@H](C)C(=O)NCCCC)CC1 ZINC001569017297 1065243601 /nfs/dbraw/zinc/24/36/01/1065243601.db2.gz HBUWANGNAXJWIE-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001569051202 1065258627 /nfs/dbraw/zinc/25/86/27/1065258627.db2.gz ARHHGDGRNSFNDS-ZDUSSCGKSA-N 0 3 313.376 2.222 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1sccc1Cl ZINC001496066550 1065260295 /nfs/dbraw/zinc/26/02/95/1065260295.db2.gz LWIOFCIRKGVTDU-LLVKDONJSA-N 0 3 314.838 2.101 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001569074005 1065270274 /nfs/dbraw/zinc/27/02/74/1065270274.db2.gz MEAABHFQPIIBSA-AWEZNQCLSA-N 0 3 302.393 2.484 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1ccnc(OC)c1 ZINC001569078838 1065273315 /nfs/dbraw/zinc/27/33/15/1065273315.db2.gz DIESAYYABRVLEI-SUMWQHHRSA-N 0 3 305.422 2.287 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)CNC/C=C\Cl ZINC001569090301 1065277235 /nfs/dbraw/zinc/27/72/35/1065277235.db2.gz DFUDPTQWDSVXSR-HWPRWLFBSA-N 0 3 309.797 2.107 20 30 DEEDHN Cc1cccc(OCCN(C)C[C@H](C)NC(=O)C#CC(C)C)c1 ZINC001569116498 1065298804 /nfs/dbraw/zinc/29/88/04/1065298804.db2.gz XEIKRKCPFUVFBJ-KRWDZBQOSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc[n-]c1=O ZINC001569166487 1065334891 /nfs/dbraw/zinc/33/48/91/1065334891.db2.gz UOMYCJZGGBKLEB-ZFWWWQNUSA-N 0 3 318.421 2.027 20 30 DEEDHN COC[C@@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001496196540 1065335688 /nfs/dbraw/zinc/33/56/88/1065335688.db2.gz JDOYSOKSFFRZIM-STQMWFEESA-N 0 3 323.462 2.229 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1cncn1C)C1CC1 ZINC001569317904 1065426393 /nfs/dbraw/zinc/42/63/93/1065426393.db2.gz HEFMUKBBXAWLJV-DOTOQJQBSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@H](CC)C1 ZINC001569340757 1065439693 /nfs/dbraw/zinc/43/96/93/1065439693.db2.gz QGNSPHOSLVCOFZ-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCN1C[C@H](OC)C1CCCC1 ZINC001569356030 1065452947 /nfs/dbraw/zinc/45/29/47/1065452947.db2.gz QEJDLXKAPFNXET-SJORKVTESA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@]1(F)CCOC1 ZINC001496416732 1065458549 /nfs/dbraw/zinc/45/85/49/1065458549.db2.gz WULKEKIDDVWJLP-ZFWWWQNUSA-N 0 3 318.820 2.228 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc3c([nH]2)c(F)ccc3C)CC1 ZINC001569406971 1065493157 /nfs/dbraw/zinc/49/31/57/1065493157.db2.gz ZSIDLIGXAYWCMZ-UHFFFAOYSA-N 0 3 313.376 2.491 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC001569410739 1065496074 /nfs/dbraw/zinc/49/60/74/1065496074.db2.gz XFCFQPNJKNSCBA-HOTGVXAUSA-N 0 3 300.377 2.191 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCCC ZINC001569444109 1065510565 /nfs/dbraw/zinc/51/05/65/1065510565.db2.gz MEVMCWDUHPQKDC-ZACQAIPSSA-N 0 3 306.450 2.280 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](NCc1ccc(F)cn1)C(C)C ZINC001496550148 1065555873 /nfs/dbraw/zinc/55/58/73/1065555873.db2.gz BILCQGWHEQZGCL-INIZCTEOSA-N 0 3 305.397 2.111 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cscn1)C(C)C ZINC001496615357 1065593456 /nfs/dbraw/zinc/59/34/56/1065593456.db2.gz IJABQOUDLGGLDI-LBPRGKRZSA-N 0 3 301.843 2.169 20 30 DEEDHN C#CCN(C(=O)c1ocnc1CC)C1CCN(CC(=C)C)CC1 ZINC001569593319 1065611660 /nfs/dbraw/zinc/61/16/60/1065611660.db2.gz VORUXTXRXSCLCI-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C#CCCCC(=O)N[C@]1(C)CCN(CCc2scnc2C)C1 ZINC001569637368 1065640740 /nfs/dbraw/zinc/64/07/40/1065640740.db2.gz JEKADKRRODRLSE-QGZVFWFLSA-N 0 3 319.474 2.378 20 30 DEEDHN CCC(=CC(=O)N1CC[C@H]2[C@H](CCN2CC#CCOC)C1)CC ZINC001496856744 1065758337 /nfs/dbraw/zinc/75/83/37/1065758337.db2.gz DPSFJINWHDDGBN-MSOLQXFVSA-N 0 3 318.461 2.305 20 30 DEEDHN N#Cc1ccccc1CNCC[C@H]1CCN(C(=O)C(F)F)C1 ZINC001569959415 1065838407 /nfs/dbraw/zinc/83/84/07/1065838407.db2.gz MKHKXMBHKJUXCI-LBPRGKRZSA-N 0 3 307.344 2.152 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC001626750721 1078261447 /nfs/dbraw/zinc/26/14/47/1078261447.db2.gz DVFPBNYNFSVZMN-ZWKOTPCHSA-N 0 3 316.445 2.383 20 30 DEEDHN C#CCNC1(CNC(=O)c2cnc3c(F)cccc3c2)CCC1 ZINC001570111787 1065928957 /nfs/dbraw/zinc/92/89/57/1065928957.db2.gz DCEQYBAUWAURHA-UHFFFAOYSA-N 0 3 311.360 2.249 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2cccc(Cl)c2C)CCO1 ZINC001570140907 1065938574 /nfs/dbraw/zinc/93/85/74/1065938574.db2.gz LHNTUXJHQBQNJX-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cc3cscc3s2)CCO1 ZINC001570145589 1065940321 /nfs/dbraw/zinc/94/03/21/1065940321.db2.gz CERKQDTYGVMFQZ-LBPRGKRZSA-N 0 3 320.439 2.027 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001497173564 1065942761 /nfs/dbraw/zinc/94/27/61/1065942761.db2.gz VWVKEBXTMZHWGG-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N2CCN(CCCC)CC2)C1 ZINC001570167790 1065946308 /nfs/dbraw/zinc/94/63/08/1065946308.db2.gz WYJHRBJTRXSTRM-QGZVFWFLSA-N 0 3 307.482 2.361 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001570181793 1065957826 /nfs/dbraw/zinc/95/78/26/1065957826.db2.gz QGKDHUADSGZPLL-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C2(CCOC)CCCC2)CC1 ZINC001570187395 1065964202 /nfs/dbraw/zinc/96/42/02/1065964202.db2.gz LJVXLSFUPRLVKH-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)OCC)C2 ZINC001570271932 1065997049 /nfs/dbraw/zinc/99/70/49/1065997049.db2.gz QWJGIWXPZCYKMP-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)OCC)C2 ZINC001570271931 1065997398 /nfs/dbraw/zinc/99/73/98/1065997398.db2.gz QWJGIWXPZCYKMP-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)OCCCC)C2 ZINC001570272205 1065998160 /nfs/dbraw/zinc/99/81/60/1065998160.db2.gz XNSFIRHAMBOQLW-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCCC(=O)N1CCC(C)(NCc2cc(C)no2)CC1 ZINC001570371882 1066037947 /nfs/dbraw/zinc/03/79/47/1066037947.db2.gz REKXBRUITGIVCU-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCCC2CCOCC2)C[C@H]1C ZINC001570438291 1066068768 /nfs/dbraw/zinc/06/87/68/1066068768.db2.gz YBRQALQFVSACGU-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCNCCN(CC)C(=O)CCOc1c(C)cccc1C ZINC001497396578 1066071073 /nfs/dbraw/zinc/07/10/73/1066071073.db2.gz HJYRYDAYMWKIGV-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN CC#CCNCCN(CC)C(=O)CCc1ccc(OC)c(F)c1 ZINC001497423266 1066084136 /nfs/dbraw/zinc/08/41/36/1066084136.db2.gz LTSZMZHRZNBADB-UHFFFAOYSA-N 0 3 320.408 2.228 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001570476394 1066087039 /nfs/dbraw/zinc/08/70/39/1066087039.db2.gz BKQFXEWPQARFHT-MJGOQNOKSA-N 0 3 316.445 2.438 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1(O)CCC1 ZINC001570519432 1066102836 /nfs/dbraw/zinc/10/28/36/1066102836.db2.gz NJKXPIUKQWOOQS-SJLPKXTDSA-N 0 3 314.429 2.239 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001497463051 1066106005 /nfs/dbraw/zinc/10/60/05/1066106005.db2.gz FTMJOSYBRHLSKW-ZWKOTPCHSA-N 0 3 314.429 2.260 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001497486862 1066112717 /nfs/dbraw/zinc/11/27/17/1066112717.db2.gz VBZFOALAGNYDHQ-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CS[C@H](C)C(=O)NC/C=C/CNCc1ccc(F)c(C#N)c1 ZINC001497533231 1066130246 /nfs/dbraw/zinc/13/02/46/1066130246.db2.gz FNUURMXCEDPEJB-AAOUONPWSA-N 0 3 321.421 2.211 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C/CN[C@@H](C)c1cccc(F)c1 ZINC001497585334 1066150609 /nfs/dbraw/zinc/15/06/09/1066150609.db2.gz VUUYCMZOHZKWLD-ICWYTKJFSA-N 0 3 318.392 2.187 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ocnc1-c1ccccc1 ZINC001497595490 1066183850 /nfs/dbraw/zinc/18/38/50/1066183850.db2.gz JEEGBEVYRTWMMB-FPLPWBNLSA-N 0 3 309.369 2.241 20 30 DEEDHN C#Cc1ccc(C(=O)Nc2ccc(CN(C)C)cc2OC)cn1 ZINC001629508584 1078319284 /nfs/dbraw/zinc/31/92/84/1078319284.db2.gz GSKGZGKHOCJFKI-UHFFFAOYSA-N 0 3 309.369 2.385 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)/C=C\c1ccco1 ZINC001497782859 1066307258 /nfs/dbraw/zinc/30/72/58/1066307258.db2.gz UPDHQFJDSLAXHD-YUQCYMQKSA-N 0 3 308.381 2.439 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001575857699 1066445116 /nfs/dbraw/zinc/44/51/16/1066445116.db2.gz NLPSKUWWNWEOBQ-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN COCCCCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001498021550 1066462465 /nfs/dbraw/zinc/46/24/65/1066462465.db2.gz MAHDCKNHGAHRRV-HNNXBMFYSA-N 0 3 320.408 2.088 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CNCC(=O)N[C@@H](C)CCC)CC1 ZINC001498109377 1066508426 /nfs/dbraw/zinc/50/84/26/1066508426.db2.gz LYMCRDDCGCQUDZ-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001498387014 1066672369 /nfs/dbraw/zinc/67/23/69/1066672369.db2.gz KFNSNTGZYOSWFZ-CQSZACIVSA-N 0 3 315.417 2.421 20 30 DEEDHN CC[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)CC(F)(F)F ZINC001577085144 1066759962 /nfs/dbraw/zinc/75/99/62/1066759962.db2.gz ILXIODAFBFWIFL-KTEZZQQRSA-N 0 3 317.355 2.221 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001577426569 1066839637 /nfs/dbraw/zinc/83/96/37/1066839637.db2.gz RSGYKEMVDHHKFP-SJORKVTESA-N 0 3 320.481 2.263 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncc(C#N)cc1Cl ZINC001634641127 1078434381 /nfs/dbraw/zinc/43/43/81/1078434381.db2.gz XCJCZAIAYBMIPA-UHFFFAOYSA-N 0 3 306.797 2.187 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001498801959 1066899328 /nfs/dbraw/zinc/89/93/28/1066899328.db2.gz KLLRFCDPQDRDLJ-KGLIPLIRSA-N 0 3 309.410 2.352 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001499006534 1067017677 /nfs/dbraw/zinc/01/76/77/1067017677.db2.gz XAJYZMRYQFTUCD-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)n1nc(C)cc1C ZINC001635753346 1078457802 /nfs/dbraw/zinc/45/78/02/1078457802.db2.gz RZQDFQBXELCYPX-INIZCTEOSA-N 0 3 306.454 2.417 20 30 DEEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@]2(COC)CCCCN2)cc1 ZINC001578252652 1067034368 /nfs/dbraw/zinc/03/43/68/1067034368.db2.gz JFPMRFXNVNDJKZ-SJLPKXTDSA-N 0 3 315.417 2.089 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H](C)NCc1cnc(C)nc1)c1ccccc1 ZINC001266996564 1078488104 /nfs/dbraw/zinc/48/81/04/1078488104.db2.gz HYTPNNOSVNFRED-KBXCAEBGSA-N 0 3 324.428 2.349 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001671175236 1078493971 /nfs/dbraw/zinc/49/39/71/1078493971.db2.gz AQPWFIABYVQDEW-UONOGXRCSA-N 0 3 304.438 2.086 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001671175236 1078493973 /nfs/dbraw/zinc/49/39/73/1078493973.db2.gz AQPWFIABYVQDEW-UONOGXRCSA-N 0 3 304.438 2.086 20 30 DEEDHN C#CCNC1(CNC(=O)C2(c3ccccc3F)CCC2)CC1 ZINC001499416617 1067213790 /nfs/dbraw/zinc/21/37/90/1067213790.db2.gz MQFZTHBSPYCIAO-UHFFFAOYSA-N 0 3 300.377 2.119 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(C=C)CCOC ZINC001499508565 1067240435 /nfs/dbraw/zinc/24/04/35/1067240435.db2.gz UTSVWJQOMKKMCX-ZIFCJYIRSA-N 0 3 318.461 2.304 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CC)OCC)C2)C1 ZINC001499566903 1067261361 /nfs/dbraw/zinc/26/13/61/1067261361.db2.gz IYCFACCQUZZVEZ-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCCCN1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001499746944 1067318607 /nfs/dbraw/zinc/31/86/07/1067318607.db2.gz CGUSYCKWPZPEGA-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN CSCC[C@H](N)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC001579378493 1067320592 /nfs/dbraw/zinc/32/05/92/1067320592.db2.gz CKRKKNIXLXABIK-LSDHHAIUSA-N 0 3 303.431 2.132 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cnc(C)o2)C[C@H]1C ZINC001499822955 1067346740 /nfs/dbraw/zinc/34/67/40/1067346740.db2.gz BSWSDIFPYKMTIQ-UKRRQHHQSA-N 0 3 303.406 2.256 20 30 DEEDHN Cc1ccc(CC[C@@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)o1 ZINC001579685340 1067404716 /nfs/dbraw/zinc/40/47/16/1067404716.db2.gz LPECXSIMZYCWEU-PBIRYHDKSA-N 0 3 315.417 2.165 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC001580047290 1067481892 /nfs/dbraw/zinc/48/18/92/1067481892.db2.gz GOQANRWAGQYOFP-AWEZNQCLSA-N 0 3 315.352 2.103 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H](NCc2cnns2)C1 ZINC001267080528 1078555086 /nfs/dbraw/zinc/55/50/86/1078555086.db2.gz AULOXZUWBQNTPD-STQMWFEESA-N 0 3 308.451 2.411 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]1CN(C)CCn1cccn1 ZINC001570538030 1067993785 /nfs/dbraw/zinc/99/37/85/1067993785.db2.gz JUMFAVJDGLCBRQ-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN O=C(C#CC1CC1)NC1CC(CNCc2c(F)cccc2F)C1 ZINC001570560511 1068004835 /nfs/dbraw/zinc/00/48/35/1068004835.db2.gz VCYSQJLSJJOCPQ-UHFFFAOYSA-N 0 3 318.367 2.363 20 30 DEEDHN C#CCCCC(=O)NC1CC(CNCc2oc(CC)nc2C)C1 ZINC001570560050 1068005479 /nfs/dbraw/zinc/00/54/79/1068005479.db2.gz JZTGQYYEYXKMLS-UHFFFAOYSA-N 0 3 317.433 2.333 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)NCc2cnc(C)cn2)CC1 ZINC001267174466 1078638190 /nfs/dbraw/zinc/63/81/90/1078638190.db2.gz YKIZKAPLJKNJFR-HNNXBMFYSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCC(=O)Nc1ccccc1C ZINC001570593013 1068025413 /nfs/dbraw/zinc/02/54/13/1068025413.db2.gz OCPHWEHILJSYJK-GJZGRUSLSA-N 0 3 317.433 2.383 20 30 DEEDHN COCc1ccc(CN(C)[C@@H](C)CNC(=O)C#CC(C)C)cc1 ZINC001570709405 1068083748 /nfs/dbraw/zinc/08/37/48/1068083748.db2.gz QMIAIJKMIUQUJD-INIZCTEOSA-N 0 3 316.445 2.429 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(CF)cc1 ZINC001570711400 1068084038 /nfs/dbraw/zinc/08/40/38/1068084038.db2.gz ZSWISMPSXLNGKN-GJZGRUSLSA-N 0 3 320.408 2.131 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)COC1CCCC1 ZINC001570818749 1068126961 /nfs/dbraw/zinc/12/69/61/1068126961.db2.gz YKOIIDJKDRUYEJ-MRXNPFEDSA-N 0 3 306.450 2.330 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001570839931 1068136044 /nfs/dbraw/zinc/13/60/44/1068136044.db2.gz UTVZBFGAMDJTCF-HNAYVOBHSA-N 0 3 316.445 2.259 20 30 DEEDHN N#Cc1cccc(N2CCN[C@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC001640350149 1078656030 /nfs/dbraw/zinc/65/60/30/1078656030.db2.gz AOCCKDCNEJTPSJ-HNNXBMFYSA-N 0 3 324.340 2.323 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3ccc(CC(C)C)cc3)[C@@H]2C1 ZINC001570939392 1068163353 /nfs/dbraw/zinc/16/33/53/1068163353.db2.gz RFYUFBMGKZQGSX-OWZKRDHZSA-N 0 3 324.468 2.355 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001571334326 1068229511 /nfs/dbraw/zinc/22/95/11/1068229511.db2.gz UMMQJCIAPLZHQO-JGNQBTRVSA-N 0 3 312.841 2.253 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)CN(CC)CC)C[C@H]1C ZINC001511250379 1068253967 /nfs/dbraw/zinc/25/39/67/1068253967.db2.gz LDCVTLKFKAYFEU-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001571379872 1068263140 /nfs/dbraw/zinc/26/31/40/1068263140.db2.gz DRPYYQTWHKFGLO-GJZGRUSLSA-N 0 3 320.408 2.039 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)NCC#Cc1ccccc1 ZINC001571385149 1068265851 /nfs/dbraw/zinc/26/58/51/1068265851.db2.gz BYXLSYANBGJZRX-BPUTZDHNSA-N 0 3 320.383 2.376 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H](C)NCc2cccnc2)cc1 ZINC001571398982 1068275704 /nfs/dbraw/zinc/27/57/04/1068275704.db2.gz ICANUTSJVDYNKV-OAHLLOKOSA-N 0 3 307.397 2.313 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@H]1CCCc2ccccc21 ZINC001571431582 1068291271 /nfs/dbraw/zinc/29/12/71/1068291271.db2.gz YGEIKGRYTQMTMD-WMZOPIPTSA-N 0 3 316.445 2.487 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)c1ccncc1 ZINC001571469959 1068321368 /nfs/dbraw/zinc/32/13/68/1068321368.db2.gz XIFLTBYAUSOVTI-LPHOPBHVSA-N 0 3 319.408 2.326 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccnn2C2CCCC2)C1 ZINC001571478649 1068332247 /nfs/dbraw/zinc/33/22/47/1068332247.db2.gz GCCDTHVOIRKQNC-LSDHHAIUSA-N 0 3 314.433 2.214 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1scnc1COC)C(C)C ZINC001571615430 1068441750 /nfs/dbraw/zinc/44/17/50/1068441750.db2.gz RIEGZSQSVYSUDE-UHFFFAOYSA-N 0 3 311.451 2.258 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)Cc2cc(F)ccc2F)CC1 ZINC001571644940 1068456471 /nfs/dbraw/zinc/45/64/71/1068456471.db2.gz LHSPIKFWIIPANJ-CYBMUJFWSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001571655967 1068464128 /nfs/dbraw/zinc/46/41/28/1068464128.db2.gz DUTDNXUOZREPGM-JMLCCBQJSA-N 0 3 320.408 2.232 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)CCOC(C)C)CC2)CC1 ZINC001571668621 1068470011 /nfs/dbraw/zinc/47/00/11/1068470011.db2.gz XWFHXSDXZKAVLH-UHFFFAOYSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001267280977 1078726934 /nfs/dbraw/zinc/72/69/34/1078726934.db2.gz IFXOLVPWRNDDMU-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001267288233 1078735421 /nfs/dbraw/zinc/73/54/21/1078735421.db2.gz PBSJSMJUIWQXTI-HNNXBMFYSA-N 0 3 320.408 2.275 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001483653509 1078744294 /nfs/dbraw/zinc/74/42/94/1078744294.db2.gz RARQVTUKICRTCR-LBPRGKRZSA-N 0 3 310.829 2.327 20 30 DEEDHN Cc1noc(C)c1CN1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267293337 1078738665 /nfs/dbraw/zinc/73/86/65/1078738665.db2.gz QTWPIHVKPCNXJP-HNNXBMFYSA-N 0 3 317.433 2.279 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@H](C)n1ccc(C)n1 ZINC001483670045 1078769271 /nfs/dbraw/zinc/76/92/71/1078769271.db2.gz IUGFIYWHFOCXBN-JKSUJKDBSA-N 0 3 304.438 2.299 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCN(C)C(=O)/C=C\C(C)(C)C ZINC001267355060 1078787932 /nfs/dbraw/zinc/78/79/32/1078787932.db2.gz GSDCBKCPJHMKGB-KTKRTIGZSA-N 0 3 323.481 2.061 20 30 DEEDHN C=CCOCC(=O)N(C)CCN[C@H]1CCc2c1cc(F)cc2F ZINC001267354745 1078788063 /nfs/dbraw/zinc/78/80/63/1078788063.db2.gz XIOOGQFOTQNYTE-INIZCTEOSA-N 0 3 324.371 2.203 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001267357343 1078789331 /nfs/dbraw/zinc/78/93/31/1078789331.db2.gz MQGLAJZXWSRWCM-SJLPKXTDSA-N 0 3 314.429 2.438 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@]1(C)CCCOC1)c1ccccc1 ZINC001267378153 1078809070 /nfs/dbraw/zinc/80/90/70/1078809070.db2.gz YGIOAEARXJSIGU-AEFFLSMTSA-N 0 3 302.418 2.436 20 30 DEEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1ccc(Cl)nc1 ZINC001267802894 1079506173 /nfs/dbraw/zinc/50/61/73/1079506173.db2.gz GNYAQWSUJLIJBJ-CQSZACIVSA-N 0 3 307.825 2.379 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001483700641 1078820118 /nfs/dbraw/zinc/82/01/18/1078820118.db2.gz IMLSVKNUINAIHO-LSDHHAIUSA-N 0 3 316.449 2.306 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@]1(F)CCOC1)c1ccccc1 ZINC001518304346 1069000830 /nfs/dbraw/zinc/00/08/30/1069000830.db2.gz DKAOUIHFHBMSSY-KEYYUXOJSA-N 0 3 318.348 2.091 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)OC)OCC ZINC001267409320 1078838361 /nfs/dbraw/zinc/83/83/61/1078838361.db2.gz DOTTZCLKMYWDJO-NXOAAHMSSA-N 0 3 324.465 2.068 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001483709866 1078837926 /nfs/dbraw/zinc/83/79/26/1078837926.db2.gz PBBNZAZOXZUZLP-AWEZNQCLSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2snnc2C)C1 ZINC001272375630 1078840380 /nfs/dbraw/zinc/84/03/80/1078840380.db2.gz GVJHTCUKLSXEIY-CYBMUJFWSA-N 0 3 308.451 2.141 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)N(C)CCCOc2ccccc2)C1 ZINC001644470275 1078847571 /nfs/dbraw/zinc/84/75/71/1078847571.db2.gz WGXVGFPEIIVVLQ-QGZVFWFLSA-N 0 3 314.429 2.259 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@](C)(O)C2CC2)C1 ZINC001267455299 1078863812 /nfs/dbraw/zinc/86/38/12/1078863812.db2.gz XTMJFSPNINBVAU-WMZOPIPTSA-N 0 3 308.466 2.427 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c1 ZINC001520723987 1069170883 /nfs/dbraw/zinc/17/08/83/1069170883.db2.gz BUZFNUPIMJAHGQ-KRWDZBQOSA-N 0 3 305.381 2.196 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2cccc(F)c2)nc1 ZINC001267457763 1078866201 /nfs/dbraw/zinc/86/62/01/1078866201.db2.gz SYAPVGOLRHPIOZ-UHFFFAOYSA-N 0 3 311.360 2.064 20 30 DEEDHN C#C[C@H](CCC)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001574485938 1069230645 /nfs/dbraw/zinc/23/06/45/1069230645.db2.gz ILQKEYQWVOCYSH-GDBMZVCRSA-N 0 3 301.390 2.271 20 30 DEEDHN C#C[C@H](NC(=O)[C@H](N)C1CCC1)c1ccc(Br)cc1 ZINC001574504858 1069232313 /nfs/dbraw/zinc/23/23/13/1069232313.db2.gz MSISQGGRVJJMOW-UONOGXRCSA-N 0 3 321.218 2.367 20 30 DEEDHN C#Cc1cccc(N(CC)C(=O)c2cc3n(n2)CCC[C@H]3N)c1 ZINC001574766078 1069260185 /nfs/dbraw/zinc/26/01/85/1069260185.db2.gz NAAHBBLNMLJODX-OAHLLOKOSA-N 0 3 308.385 2.325 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001574852416 1069278276 /nfs/dbraw/zinc/27/82/76/1069278276.db2.gz SEWBWVRXBDIQCU-CYBMUJFWSA-N 0 3 300.736 2.319 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001574901647 1069290896 /nfs/dbraw/zinc/29/08/96/1069290896.db2.gz PBPNRPJGZMJCGW-TZMCWYRMSA-N 0 3 310.438 2.391 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCc2cc(OC)ccc2C1 ZINC001574902541 1069291013 /nfs/dbraw/zinc/29/10/13/1069291013.db2.gz CEDYCOXPRDYVOU-DOTOQJQBSA-N 0 3 302.418 2.352 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC001574901196 1069291208 /nfs/dbraw/zinc/29/12/08/1069291208.db2.gz BOXYOULZLFVYKW-JKSUJKDBSA-N 0 3 306.406 2.471 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(OC)cc1OC ZINC001574901810 1069291409 /nfs/dbraw/zinc/29/14/09/1069291409.db2.gz RQWNMEFKHZCOLV-HNNXBMFYSA-N 0 3 306.406 2.346 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC001574908898 1069293915 /nfs/dbraw/zinc/29/39/15/1069293915.db2.gz ZVWLIGWRNKHRCS-ZDUSSCGKSA-N 0 3 315.339 2.443 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCc2ccon2)C1 ZINC001267475475 1078895603 /nfs/dbraw/zinc/89/56/03/1078895603.db2.gz OAQKNRLAMLKCOE-MRXNPFEDSA-N 0 3 305.422 2.496 20 30 DEEDHN C=C(C)CCC(=O)N1CCC([C@@H](C)NCc2nccn2C)CC1 ZINC001267487848 1078912991 /nfs/dbraw/zinc/91/29/91/1078912991.db2.gz XICYRUWVFPVDNK-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2c(C)nn(C)c2F)C1 ZINC001267488842 1078914011 /nfs/dbraw/zinc/91/40/11/1078914011.db2.gz QLNHXEVXTBWOGU-CQSZACIVSA-N 0 3 322.428 2.370 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](C)CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001280543074 1078948466 /nfs/dbraw/zinc/94/84/66/1078948466.db2.gz SMJGAUCRFVYPFX-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNCc2ccn(C)n2)C1 ZINC001272554215 1078960521 /nfs/dbraw/zinc/96/05/21/1078960521.db2.gz DADSATUEPIKWHT-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN CCn1ncc(Cl)c1C(=O)C(C#N)c1ncc(Cl)n1C ZINC001649247679 1078954107 /nfs/dbraw/zinc/95/41/07/1078954107.db2.gz IFZATFUPQLVUDC-SSDOTTSWSA-N 0 3 312.160 2.433 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cnn3cc[nH]c23)C1 ZINC001267548992 1078980406 /nfs/dbraw/zinc/98/04/06/1078980406.db2.gz QDJGOIFQTICWMT-AWEZNQCLSA-N 0 3 315.421 2.165 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)CN(C)C(=O)C1(C)CCC1 ZINC001283651151 1078988299 /nfs/dbraw/zinc/98/82/99/1078988299.db2.gz CNCDHVZCVZVEAR-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)C2CC3(CCC3)C2)C1 ZINC001267565234 1078998216 /nfs/dbraw/zinc/99/82/16/1078998216.db2.gz YSTMABBNAKMROO-INIZCTEOSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001267596644 1079114722 /nfs/dbraw/zinc/11/47/22/1079114722.db2.gz QUNJRMDWUXDGEK-VSKVDJIOSA-N 0 3 300.830 2.112 20 30 DEEDHN C#CCCCC(=O)N1CCC(CN(C)Cc2ocnc2C)CC1 ZINC001267598573 1079118870 /nfs/dbraw/zinc/11/88/70/1079118870.db2.gz IZDASCVGTDIQCS-UHFFFAOYSA-N 0 3 317.433 2.457 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@@H](C)CCCCC)CCO1 ZINC001649461387 1079129323 /nfs/dbraw/zinc/12/93/23/1079129323.db2.gz XQKIOTTZALQNCX-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN COc1ccc(CN2CC[C@H](CNC(=O)C#CC(C)C)C2)cc1 ZINC001481087225 1079169912 /nfs/dbraw/zinc/16/99/12/1079169912.db2.gz OZIVVGJLKNONJF-QGZVFWFLSA-N 0 3 314.429 2.293 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCN(CCc2csc(C)n2)C1 ZINC001481091885 1079173769 /nfs/dbraw/zinc/17/37/69/1079173769.db2.gz WNTUCDSBFSHIJQ-HNNXBMFYSA-N 0 3 319.474 2.236 20 30 DEEDHN Cc1nocc1C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001369272873 1148887375 /nfs/dbraw/zinc/88/73/75/1148887375.db2.gz NILZLRCUGAHUPT-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001481121103 1079217448 /nfs/dbraw/zinc/21/74/48/1079217448.db2.gz SXXCLRFRYPFTHX-DLBZAZTESA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)SC)C2 ZINC001484019362 1079245922 /nfs/dbraw/zinc/24/59/22/1079245922.db2.gz BBOUBDNXDZWIJM-DOTOQJQBSA-N 0 3 308.491 2.466 20 30 DEEDHN C=C(Cl)CN1CC[C@@](C)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001484061738 1079280821 /nfs/dbraw/zinc/28/08/21/1079280821.db2.gz PCNAIWVDPNLOTM-MRXNPFEDSA-N 0 3 315.889 2.297 20 30 DEEDHN CC(C)CN1C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1=O ZINC001646918084 1074693633 /nfs/dbraw/zinc/69/36/33/1074693633.db2.gz IBXOGLUBMFHWRL-JQWIXIFHSA-N 0 3 321.327 2.041 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2[nH]nc3ccccc32)CC1 ZINC001484145496 1079322950 /nfs/dbraw/zinc/32/29/50/1079322950.db2.gz BUVBYRMELYBIOW-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](OC)C(F)(F)F ZINC001565829519 1075015841 /nfs/dbraw/zinc/01/58/41/1075015841.db2.gz IFFDZZSAGAGEBN-RYUDHWBXSA-N 0 3 308.344 2.063 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C(F)(F)c1nccs1 ZINC001556466535 1075032177 /nfs/dbraw/zinc/03/21/77/1075032177.db2.gz CNMSNNDRWOFZRF-UHFFFAOYSA-N 0 3 303.378 2.201 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001556466110 1075032395 /nfs/dbraw/zinc/03/23/95/1075032395.db2.gz JJYDGDVDUKOMOT-UHFFFAOYSA-N 0 3 320.393 2.216 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001567920285 1075108843 /nfs/dbraw/zinc/10/88/43/1075108843.db2.gz AUKICDJFFHKYSI-NVXWUHKLSA-N 0 3 304.438 2.018 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OCCCC)nc1 ZINC001562658676 1075163138 /nfs/dbraw/zinc/16/31/38/1075163138.db2.gz PCCWUSHCWCIWBX-UHFFFAOYSA-N 0 3 318.421 2.337 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001565850425 1075197228 /nfs/dbraw/zinc/19/72/28/1075197228.db2.gz KZWYKAUSOZRGSC-DPYKFYPSSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC001566124707 1075233222 /nfs/dbraw/zinc/23/32/22/1075233222.db2.gz FMKVPUKPLIZJBF-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1ccc(C)c(OC)c1 ZINC001566473278 1075252836 /nfs/dbraw/zinc/25/28/36/1075252836.db2.gz IQJPIJSVKPXRMF-UHFFFAOYSA-N 0 3 302.418 2.008 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc(COC)c1)C1CC1 ZINC001566592264 1075290948 /nfs/dbraw/zinc/29/09/48/1075290948.db2.gz NSPVCYWYJNXNST-UHFFFAOYSA-N 0 3 300.402 2.051 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CCCC1(C)C)C1CC1 ZINC001566593892 1075292492 /nfs/dbraw/zinc/29/24/92/1075292492.db2.gz IVSLBGIOPLFCBJ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(CCCNC(=O)C12CC(C(F)(F)F)(C1)C2)C1CC1 ZINC001566603886 1075295352 /nfs/dbraw/zinc/29/53/52/1075295352.db2.gz HCMDQTYPUVJKGQ-UHFFFAOYSA-N 0 3 314.351 2.323 20 30 DEEDHN Cc1oncc1CN[C@H]1C[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001566813770 1075351139 /nfs/dbraw/zinc/35/11/39/1075351139.db2.gz NMGNVHVRPMQDOJ-IYARVYRRSA-N 0 3 323.396 2.162 20 30 DEEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCOCC(F)F ZINC001566817441 1075352112 /nfs/dbraw/zinc/35/21/12/1075352112.db2.gz PFQUDFLLBMFPCT-AGUYFDCRSA-N 0 3 316.392 2.346 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)COC)C1 ZINC001566827907 1075354810 /nfs/dbraw/zinc/35/48/10/1075354810.db2.gz VQLYRHGMMSBRPO-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)nc1 ZINC001267705897 1079393573 /nfs/dbraw/zinc/39/35/73/1079393573.db2.gz SDIQJUZEVSISIC-HOTGVXAUSA-N 0 3 315.417 2.345 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CNCc2nnc(C(C)C)[nH]2)C1 ZINC001566884908 1075373379 /nfs/dbraw/zinc/37/33/79/1075373379.db2.gz HTDJPCPDNGMPGD-AWEZNQCLSA-N 0 3 319.453 2.223 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)/C=C\c1ccco1 ZINC001566917204 1075385285 /nfs/dbraw/zinc/38/52/85/1075385285.db2.gz ZAKUNYZROKXYDA-HLRDLLSLSA-N 0 3 318.417 2.466 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1coc2c1cccc2OC ZINC001567017022 1075416808 /nfs/dbraw/zinc/41/68/08/1075416808.db2.gz RKLQHBZYXLVBFJ-LBPRGKRZSA-N 0 3 300.358 2.173 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)CCC=C)cn1 ZINC001267716021 1079404080 /nfs/dbraw/zinc/40/40/80/1079404080.db2.gz KLPGUZXTZLVRJO-JLSDUUJJSA-N 0 3 309.413 2.316 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001567155087 1075447104 /nfs/dbraw/zinc/44/71/04/1075447104.db2.gz LWRSBJLSKZRKEW-ALFJJAPYSA-N 0 3 321.248 2.336 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(CCc2ccc(CC)cc2)C1 ZINC001267738469 1079431521 /nfs/dbraw/zinc/43/15/21/1079431521.db2.gz ZTIXQQXVUJWHST-GOSISDBHSA-N 0 3 316.445 2.185 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001481237755 1079448394 /nfs/dbraw/zinc/44/83/94/1079448394.db2.gz FHCVDTQQAOQYJY-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001267757895 1079459124 /nfs/dbraw/zinc/45/91/24/1079459124.db2.gz ZWXCXCQCBOIXJT-DGCLKSJQSA-N 0 3 308.451 2.348 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)[C@@H](CC)SC)C1 ZINC001672481628 1079481884 /nfs/dbraw/zinc/48/18/84/1079481884.db2.gz HEUPSNOFGRJAEB-ZBFHGGJFSA-N 0 3 314.495 2.037 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCOc2ccccc2)C1 ZINC001267789988 1079496910 /nfs/dbraw/zinc/49/69/10/1079496910.db2.gz LTOVROXGODHKGK-KRWDZBQOSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001581539000 1076079046 /nfs/dbraw/zinc/07/90/46/1076079046.db2.gz BPUMUCLKJDZHBV-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(CC)c1nnc(C)n1C[C@@H](c1cccs1)N(C)C ZINC001588270999 1076437589 /nfs/dbraw/zinc/43/75/89/1076437589.db2.gz CJVLMAMNBDIMBM-AWEZNQCLSA-N 0 3 317.462 2.410 20 30 DEEDHN C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588404548 1076446292 /nfs/dbraw/zinc/44/62/92/1076446292.db2.gz IGFJOWOPTJREIY-LSDHHAIUSA-N 0 3 301.394 2.235 20 30 DEEDHN C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588404548 1076446294 /nfs/dbraw/zinc/44/62/94/1076446294.db2.gz IGFJOWOPTJREIY-LSDHHAIUSA-N 0 3 301.394 2.235 20 30 DEEDHN C=CCCSCC[NH2+]Cc1cccc(F)c1-c1nn[n-]n1 ZINC001588617946 1076458785 /nfs/dbraw/zinc/45/87/85/1076458785.db2.gz JDCADJFOSCUCQV-UHFFFAOYSA-N 0 3 307.398 2.405 20 30 DEEDHN N#Cc1ccc([C@H](C(=O)[O-])N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001601095213 1077337603 /nfs/dbraw/zinc/33/76/03/1077337603.db2.gz KNKCRNBYNLYWNC-AEFFLSMTSA-N 0 3 313.401 2.150 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](CC)NCc1cc(C)ccc1F ZINC001267805566 1079506594 /nfs/dbraw/zinc/50/65/94/1079506594.db2.gz QHOPDQOVOIFQIT-ZBFHGGJFSA-N 0 3 320.408 2.157 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H](CCC)OC)C2)CC1 ZINC001484324701 1079540136 /nfs/dbraw/zinc/54/01/36/1079540136.db2.gz QTSZCNHXHXFJKY-QZTJIDSGSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](CCC)OC)C2)CC1 ZINC001484324703 1079540177 /nfs/dbraw/zinc/54/01/77/1079540177.db2.gz QTSZCNHXHXFJKY-ROUUACIJSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001484406653 1079591226 /nfs/dbraw/zinc/59/12/26/1079591226.db2.gz UPSCOFNXUZRNID-KDURUIRLSA-N 0 3 321.424 2.252 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ncccc2C)cc1 ZINC001267936151 1079617495 /nfs/dbraw/zinc/61/74/95/1079617495.db2.gz IPGKBBPMCHFSTM-UHFFFAOYSA-N 0 3 307.397 2.433 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CC)OCC ZINC001484460623 1079620539 /nfs/dbraw/zinc/62/05/39/1079620539.db2.gz PUUFXZCDWDARHB-SQNIBIBYSA-N 0 3 318.461 2.446 20 30 DEEDHN CC(F)(F)C(=O)N1CCC[C@@H]1CNCC#Cc1ccc(F)cc1 ZINC001267949021 1079627484 /nfs/dbraw/zinc/62/74/84/1079627484.db2.gz CYSUISURLTUDLO-OAHLLOKOSA-N 0 3 324.346 2.413 20 30 DEEDHN Cc1nc(C)c(CNCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001484519602 1079639596 /nfs/dbraw/zinc/63/95/96/1079639596.db2.gz FZVLNUOKBLJYFM-MRXNPFEDSA-N 0 3 315.417 2.033 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001484555869 1079661865 /nfs/dbraw/zinc/66/18/65/1079661865.db2.gz BHNRQLURUBRLGZ-PBHICJAKSA-N 0 3 302.418 2.346 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc(F)c(C)c1)CC2 ZINC001272686127 1079681558 /nfs/dbraw/zinc/68/15/58/1079681558.db2.gz HBROVAVTQCHKDX-MRXNPFEDSA-N 0 3 314.404 2.486 20 30 DEEDHN Cc1ncsc1CN1CCC[C@H](NC(=O)C#CC2CC2)CC1 ZINC001484713194 1079738468 /nfs/dbraw/zinc/73/84/68/1079738468.db2.gz BBZMGLJLUSGHHS-HNNXBMFYSA-N 0 3 317.458 2.336 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ccc(OC)nc1)c1ccccc1 ZINC001481365706 1079759742 /nfs/dbraw/zinc/75/97/42/1079759742.db2.gz RQKPNIUSAHATFT-KRWDZBQOSA-N 0 3 323.396 2.174 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CCc1cn[nH]c1)c1ccccc1 ZINC001481370861 1079762538 /nfs/dbraw/zinc/76/25/38/1079762538.db2.gz NIPKPCUAMVLPOE-QGZVFWFLSA-N 0 3 312.417 2.366 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC001484745307 1079764597 /nfs/dbraw/zinc/76/45/97/1079764597.db2.gz ADYNGJJQTFVSEH-KRWDZBQOSA-N 0 3 313.445 2.024 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1cncc2ccccc21 ZINC001484745940 1079765100 /nfs/dbraw/zinc/76/51/00/1079765100.db2.gz YZBLONZTHKMBQY-UHFFFAOYSA-N 0 3 309.413 2.191 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC001484752770 1079780388 /nfs/dbraw/zinc/78/03/88/1079780388.db2.gz HOSBGOGLPJURNR-SFHVURJKSA-N 0 3 314.429 2.104 20 30 DEEDHN C=CCOCC(=O)N(CCC)[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001481398721 1079784891 /nfs/dbraw/zinc/78/48/91/1079784891.db2.gz XSECCSQGFBBZOO-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cn2nc(C)cc2C)C1 ZINC001481399771 1079785234 /nfs/dbraw/zinc/78/52/34/1079785234.db2.gz AXQDRQPSFNKYKZ-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC001484759688 1079786600 /nfs/dbraw/zinc/78/66/00/1079786600.db2.gz CCGKHXBVCFLDSV-UHFFFAOYSA-N 0 3 324.428 2.494 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001484826492 1079806853 /nfs/dbraw/zinc/80/68/53/1079806853.db2.gz AUBUITXJZWEFTD-AJFISWQDSA-N 0 3 324.852 2.092 20 30 DEEDHN CCc1nc(C)c(CN2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)o1 ZINC001481423187 1079824508 /nfs/dbraw/zinc/82/45/08/1079824508.db2.gz OUXDMOPIHUSSIU-OCCSQVGLSA-N 0 3 318.421 2.033 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NCc1ccns1 ZINC001484889746 1079839273 /nfs/dbraw/zinc/83/92/73/1079839273.db2.gz XVNQRXFRQDHLOO-GXTWGEPZSA-N 0 3 305.447 2.129 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2cccc(OC)n2)C1 ZINC001484896858 1079848282 /nfs/dbraw/zinc/84/82/82/1079848282.db2.gz COPDVUOVQBIVIO-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccc(CC)cc2)C[C@H]1C ZINC001484984997 1079899052 /nfs/dbraw/zinc/89/90/52/1079899052.db2.gz AOHGSAQGYPHPME-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2cnoc2C)cc1 ZINC001484996466 1079905036 /nfs/dbraw/zinc/90/50/36/1079905036.db2.gz KDKCYBDPWXSSHV-ZDUSSCGKSA-N 0 3 311.385 2.263 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001485008591 1079915730 /nfs/dbraw/zinc/91/57/30/1079915730.db2.gz 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C=C(Cl)CNC[C@@](C)(NC(=O)c1cnc(C)nc1C)C1CC1 ZINC001481944331 1080634250 /nfs/dbraw/zinc/63/42/50/1080634250.db2.gz JJDGXVODWMJQGM-MRXNPFEDSA-N 0 3 322.840 2.334 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(OCC)nc2)C1 ZINC001662846163 1080666572 /nfs/dbraw/zinc/66/65/72/1080666572.db2.gz SYGJORRJCFXPNA-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(CCOC)CCCC2)C1 ZINC001662877548 1080671241 /nfs/dbraw/zinc/67/12/41/1080671241.db2.gz FAQITIXDQNZQJH-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN CCCN(C)CC(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107280518 1080706238 /nfs/dbraw/zinc/70/62/38/1080706238.db2.gz MZEZRBRQYMIZGB-SNAWJCMRSA-N 0 3 318.396 2.123 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1cccc2nsnc21 ZINC001663249846 1080724797 /nfs/dbraw/zinc/72/47/97/1080724797.db2.gz VJWZWRUWMRQPNZ-UHFFFAOYSA-N 0 3 318.446 2.452 20 30 DEEDHN C=CCCn1cc(CNC2(C)CCC3(CC2)OCCO3)nn1 ZINC001663451099 1080747467 /nfs/dbraw/zinc/74/74/67/1080747467.db2.gz NSKNHCDLCFHWTM-UHFFFAOYSA-N 0 3 306.410 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CC#CCN1CC[C@H](CNC(=O)CCc2ccccc2F)C1 ZINC001266549359 1082144530 /nfs/dbraw/zinc/14/45/30/1082144530.db2.gz UEJAFTTYBOGEQA-OAHLLOKOSA-N 0 3 302.393 2.220 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001266551091 1082147176 /nfs/dbraw/zinc/14/71/76/1082147176.db2.gz KYPKBOJFQHYTHX-INIZCTEOSA-N 0 3 320.408 2.357 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(OC)c(F)c1 ZINC001266562647 1082160868 /nfs/dbraw/zinc/16/08/68/1082160868.db2.gz IZNJVVTUXDXFLI-UHFFFAOYSA-N 0 3 306.381 2.299 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@H](c1cccnc1)C(C)C ZINC001266575636 1082169183 /nfs/dbraw/zinc/16/91/83/1082169183.db2.gz XNLMJDIALWQBFW-KRWDZBQOSA-N 0 3 301.434 2.283 20 30 DEEDHN C=CCN(CCNC(=O)c1ccccc1-c1cn[nH]c1)C1CC1 ZINC001266594313 1082181160 /nfs/dbraw/zinc/18/11/60/1082181160.db2.gz IOJOIUGAFZYTIM-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001670606664 1082193259 /nfs/dbraw/zinc/19/32/59/1082193259.db2.gz YYIIDNJSNFLOKE-HNNXBMFYSA-N 0 3 307.463 2.324 20 30 DEEDHN CO[C@@H](C)CN(CCNC(=O)CC#Cc1ccccc1)C1CC1 ZINC001266621946 1082226963 /nfs/dbraw/zinc/22/69/63/1082226963.db2.gz MLVXQARAZNEHCQ-INIZCTEOSA-N 0 3 314.429 2.044 20 30 DEEDHN C[C@@H](N[C@H]1C[C@@H](NC(=O)CSCC#N)C1)c1ccccc1F ZINC001266668239 1082263514 /nfs/dbraw/zinc/26/35/14/1082263514.db2.gz RJFGRPQHDYPVST-UPJWGTAASA-N 0 3 321.421 2.380 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001266679692 1082277574 /nfs/dbraw/zinc/27/75/74/1082277574.db2.gz BELSEALGMFUZCJ-VBQJREDUSA-N 0 3 324.371 2.029 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001482598454 1082357539 /nfs/dbraw/zinc/35/75/39/1082357539.db2.gz RIIIWZBMRMQLHI-UHFFFAOYSA-N 0 3 316.298 2.270 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)OCc1ccccc1 ZINC001482611711 1082392226 /nfs/dbraw/zinc/39/22/26/1082392226.db2.gz AXXABQDYCHHEAP-INIZCTEOSA-N 0 3 302.418 2.005 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCOc1cccnc1 ZINC001266859789 1082403550 /nfs/dbraw/zinc/40/35/50/1082403550.db2.gz 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C#CCN1CC[C@@]2(CCCN(Cc3ccc(F)cn3)CC2)C1=O ZINC001272801823 1084079618 /nfs/dbraw/zinc/07/96/18/1084079618.db2.gz ISJVHXCRQYPTHY-SFHVURJKSA-N 0 3 315.392 2.059 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001491118408 1084093269 /nfs/dbraw/zinc/09/32/69/1084093269.db2.gz PJVGVVZZUXILCP-CVEARBPZSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCCCN1CCc2nc(C(=O)N(C)CCOC)ccc2C1 ZINC001277760093 1084132873 /nfs/dbraw/zinc/13/28/73/1084132873.db2.gz POCLZTJQIPZLDP-UHFFFAOYSA-N 0 3 317.433 2.124 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(=O)[nH]c1 ZINC001272808709 1084148637 /nfs/dbraw/zinc/14/86/37/1084148637.db2.gz BISGXWOZHJJRLM-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCCCCN1CC2(C[C@@H]2C(=O)Nc2ccc(OC)nn2)C1 ZINC001277788295 1084149809 /nfs/dbraw/zinc/14/98/09/1084149809.db2.gz GSPMUAPEVFBNPC-CYBMUJFWSA-N 0 3 316.405 2.102 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001491238184 1084174729 /nfs/dbraw/zinc/17/47/29/1084174729.db2.gz 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1084344610 /nfs/dbraw/zinc/34/46/10/1084344610.db2.gz GEHVOQYENAPJIA-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(Cc3cccc(C)c3)C2)OCC1=O ZINC001272907584 1084458875 /nfs/dbraw/zinc/45/88/75/1084458875.db2.gz SAQDLPNWYHRCSZ-LJQANCHMSA-N 0 3 314.429 2.374 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(F)cc3)CC2)C1=O ZINC001272915226 1084466953 /nfs/dbraw/zinc/46/69/53/1084466953.db2.gz MDMXLHACPNIUFM-UHFFFAOYSA-N 0 3 300.377 2.273 20 30 DEEDHN CCOCCC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001235582948 1084472269 /nfs/dbraw/zinc/47/22/69/1084472269.db2.gz JGBMDWPNTGJJRY-UHFFFAOYSA-N 0 3 321.396 2.062 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001235723050 1084512870 /nfs/dbraw/zinc/51/28/70/1084512870.db2.gz OKWMSACCOLJRMI-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001078117671 1084554545 /nfs/dbraw/zinc/55/45/45/1084554545.db2.gz ITOUTHUCUUDAJV-QZTJIDSGSA-N 0 3 310.397 2.191 20 30 DEEDHN 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DEEDHN COc1ccc(CN(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)cc1 ZINC000960504301 1085319459 /nfs/dbraw/zinc/31/94/59/1085319459.db2.gz UDXJKQXHQLCDPN-GDBMZVCRSA-N 0 3 315.417 2.278 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc2cnccc21 ZINC000960557882 1085358630 /nfs/dbraw/zinc/35/86/30/1085358630.db2.gz WVRKLOVRMFLQCU-DZFIZOCASA-N 0 3 307.397 2.010 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001486511622 1085395706 /nfs/dbraw/zinc/39/57/06/1085395706.db2.gz UZTZHBJMSYQBGA-SJORKVTESA-N 0 3 304.434 2.268 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CCOC[C@H]2C)c(F)c1 ZINC001486525315 1085407918 /nfs/dbraw/zinc/40/79/18/1085407918.db2.gz ZNPZKAHPAJERDY-CJNGLKHVSA-N 0 3 320.408 2.390 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC000960697781 1085416529 /nfs/dbraw/zinc/41/65/29/1085416529.db2.gz KFOMSHSTGKWLQK-UYHMYPTGSA-N 0 3 302.422 2.009 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCN(CCF)C3)C2)[nH]1 ZINC000961130000 1085598492 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0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1c1cccc(F)c1 ZINC001079168858 1087730022 /nfs/dbraw/zinc/73/00/22/1087730022.db2.gz QCCVPPJXWPXDOT-ZWKOTPCHSA-N 0 3 323.371 2.052 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1c1cccc(F)c1 ZINC001079178227 1087737827 /nfs/dbraw/zinc/73/78/27/1087737827.db2.gz ZMQHEGNIUUEJJC-LQNKCFFHSA-N 0 3 300.377 2.309 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079225056 1087784998 /nfs/dbraw/zinc/78/49/98/1087784998.db2.gz RLQODVBXUSDIIH-HRCADAONSA-N 0 3 306.450 2.158 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114718479 1088241038 /nfs/dbraw/zinc/24/10/38/1088241038.db2.gz OXRXZPPCXRXGSV-DZFIZOCASA-N 0 3 318.461 2.043 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001114729376 1088306123 /nfs/dbraw/zinc/30/61/23/1088306123.db2.gz PYGBABCHQZXTNT-MKVSYHDVSA-N 0 3 319.474 2.334 20 30 DEEDHN C=CCN1CCC2(CC1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC000957520304 1088371988 /nfs/dbraw/zinc/37/19/88/1088371988.db2.gz QITIRIRZVZOODL-UHFFFAOYSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001079753642 1088382847 /nfs/dbraw/zinc/38/28/47/1088382847.db2.gz FAYFUPMXKJLVKB-DJIMGWMZSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001079836811 1088440302 /nfs/dbraw/zinc/44/03/02/1088440302.db2.gz IVTSPEOTXRCSMU-MLGOLLRUSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001079844085 1088443781 /nfs/dbraw/zinc/44/37/81/1088443781.db2.gz YXBYWQQAOKRXCR-MLGOLLRUSA-N 0 3 311.385 2.177 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001079958196 1088518242 /nfs/dbraw/zinc/51/82/42/1088518242.db2.gz NTXIYLVZJPCYDQ-SLBVQIDZSA-N 0 3 302.443 2.311 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnoc2-c2ccco2)C1 ZINC001079985058 1088531112 /nfs/dbraw/zinc/53/11/12/1088531112.db2.gz WJUFWPRHZGVAIQ-TZMCWYRMSA-N 0 3 313.357 2.008 20 30 DEEDHN CCN(Cc1ccns1)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000957692048 1088550746 /nfs/dbraw/zinc/55/07/46/1088550746.db2.gz KNYUPNNVFHNITQ-CYBMUJFWSA-N 0 3 320.462 2.363 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC=C)cc2)C1 ZINC001079977720 1088552243 /nfs/dbraw/zinc/55/22/43/1088552243.db2.gz GSSNVJIZELCTHC-CRAIPNDOSA-N 0 3 312.413 2.325 20 30 DEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC001080066368 1088602540 /nfs/dbraw/zinc/60/25/40/1088602540.db2.gz FRIGRJXNHYUBQH-DGCLKSJQSA-N 0 3 308.451 2.117 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001080081596 1088606934 /nfs/dbraw/zinc/60/69/34/1088606934.db2.gz QQXLYXIWKBTUMK-RDTXWAMCSA-N 0 3 322.412 2.150 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001080139652 1088636044 /nfs/dbraw/zinc/63/60/44/1088636044.db2.gz PPMSARLEWXYZCE-CXAGYDPISA-N 0 3 310.401 2.256 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ncc(Br)cc1C#N ZINC000718904414 1088688216 /nfs/dbraw/zinc/68/82/16/1088688216.db2.gz AWJBRDCUXRWYOA-QWHCGFSZSA-N 0 3 321.222 2.389 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001080431258 1088939059 /nfs/dbraw/zinc/93/90/59/1088939059.db2.gz HCNGUYNQHDBUJP-CRAIPNDOSA-N 0 3 311.429 2.299 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC=CC2)cc1 ZINC000958453212 1088996577 /nfs/dbraw/zinc/99/65/77/1088996577.db2.gz GJVFNLURXTVEAE-PIIMJCKOSA-N 0 3 307.397 2.071 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC000958453711 1088997281 /nfs/dbraw/zinc/99/72/81/1088997281.db2.gz PAXWGZLINNUWDD-JQWIXIFHSA-N 0 3 314.838 2.000 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001080562068 1089066550 /nfs/dbraw/zinc/06/65/50/1089066550.db2.gz FZLQEXRSMYFUQB-IUODEOHRSA-N 0 3 320.820 2.422 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000958639862 1089111912 /nfs/dbraw/zinc/11/19/12/1089111912.db2.gz LHZRNCGXMDECGW-YJBOKZPZSA-N 0 3 310.397 2.048 20 30 DEEDHN Cc1ccccc1CN1CC([C@@H](C)NC(=O)CSCC#N)C1 ZINC001276343743 1089133577 /nfs/dbraw/zinc/13/35/77/1089133577.db2.gz ZAZNGQNZRPXETJ-CQSZACIVSA-N 0 3 317.458 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2sccc2C(C)C)[C@H](O)C1 ZINC000958723101 1089148741 /nfs/dbraw/zinc/14/87/41/1089148741.db2.gz CVJPSBDSACVSQW-UKRRQHHQSA-N 0 3 322.474 2.470 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001081046339 1089321599 /nfs/dbraw/zinc/32/15/99/1089321599.db2.gz DHUFFUWOOKSREF-SJLPKXTDSA-N 0 3 310.441 2.486 20 30 DEEDHN C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC001081090349 1089341018 /nfs/dbraw/zinc/34/10/18/1089341018.db2.gz DWIWPCSRJUGDLM-ZWKOTPCHSA-N 0 3 320.392 2.223 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2ccco2)[C@H](OC)C1 ZINC001082126865 1089724961 /nfs/dbraw/zinc/72/49/61/1089724961.db2.gz UPERZNHONUESEE-SQWLQELKSA-N 0 3 306.406 2.165 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc([C@H](C)OC)n1 ZINC000959869375 1089809617 /nfs/dbraw/zinc/80/96/17/1089809617.db2.gz HERFIFKDSJIZGF-CIQGVGRVSA-N 0 3 321.446 2.087 20 30 DEEDHN Cc1nc(C(=O)NCCCNCc2ccccc2C#N)cs1 ZINC001164517524 1089880409 /nfs/dbraw/zinc/88/04/09/1089880409.db2.gz YETWREAVIBQXHZ-UHFFFAOYSA-N 0 3 314.414 2.233 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)c3ccoc3C)[C@H]2C1 ZINC001082994380 1090136785 /nfs/dbraw/zinc/13/67/85/1090136785.db2.gz KLIPOBRYUNIOGQ-JKSUJKDBSA-N 0 3 304.390 2.079 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)/C=C(\C)C3CC3)[C@H]2C1 ZINC001083014968 1090143461 /nfs/dbraw/zinc/14/34/61/1090143461.db2.gz YVRDVDWUVLIABJ-NEXKZYMUSA-N 0 3 304.434 2.221 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001084100526 1090200522 /nfs/dbraw/zinc/20/05/22/1090200522.db2.gz BQMUYYLBDQTOJD-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccnn3[C@@H](C)CC)[C@@H]2C1 ZINC001084380782 1090281730 /nfs/dbraw/zinc/28/17/30/1090281730.db2.gz IZKZIMZQMVONJH-ZMSDIMECSA-N 0 3 314.433 2.024 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001084503526 1090313983 /nfs/dbraw/zinc/31/39/83/1090313983.db2.gz GASCKGNCFSACIY-RTBURBONSA-N 0 3 310.441 2.484 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)n3ccc(C)n3)[C@@H]2C1 ZINC001084573068 1090332007 /nfs/dbraw/zinc/33/20/07/1090332007.db2.gz FISKWQJCFKESIT-BRWVUGGUSA-N 0 3 316.449 2.251 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4ccccc4C3)[C@@H]2C1 ZINC001084685428 1090391755 /nfs/dbraw/zinc/39/17/55/1090391755.db2.gz FUSKKSRXRFYPPZ-XUVXKRRUSA-N 0 3 322.452 2.348 20 30 DEEDHN C#CCSCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001119524263 1090393480 /nfs/dbraw/zinc/39/34/80/1090393480.db2.gz IPLIHHASOZOVGL-GOEBONIOSA-N 0 3 302.443 2.132 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccn(C(C)C)n3)[C@@H]2C1 ZINC001084696125 1090398654 /nfs/dbraw/zinc/39/86/54/1090398654.db2.gz AFOURJZQLDVEIK-GDBMZVCRSA-N 0 3 302.422 2.186 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccnc(F)c3)C2)C1=O ZINC001273229130 1090420773 /nfs/dbraw/zinc/42/07/73/1090420773.db2.gz SKJPBFZJTDCFNR-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)CSCC#N ZINC001098923143 1090474505 /nfs/dbraw/zinc/47/45/05/1090474505.db2.gz ZFYRWHWJSSVEQY-CQSZACIVSA-N 0 3 309.479 2.426 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4c3CCC4)[C@@H]2C1 ZINC001084863283 1090480802 /nfs/dbraw/zinc/48/08/02/1090480802.db2.gz KHHJKGQPNYEMPZ-VQIMIIECSA-N 0 3 308.425 2.345 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C[C@@H]21 ZINC001085018979 1090593554 /nfs/dbraw/zinc/59/35/54/1090593554.db2.gz ZFXAXSLXFQGIFB-NJAFHUGGSA-N 0 3 323.440 2.058 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1cccn1 ZINC001085138369 1090668257 /nfs/dbraw/zinc/66/82/57/1090668257.db2.gz ANDXLYIPCWQZIX-MGPQQGTHSA-N 0 3 310.829 2.214 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)c1ccn(C)c1 ZINC001273324487 1091051158 /nfs/dbraw/zinc/05/11/58/1091051158.db2.gz NXEWODRDNXKKMZ-UHFFFAOYSA-N 0 3 316.430 2.210 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c1[O-] ZINC001273359934 1091089526 /nfs/dbraw/zinc/08/95/26/1091089526.db2.gz BVUDWXBXNSIUKU-INIZCTEOSA-N 0 3 314.429 2.469 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)CC(C)(C)C=C)C2)CC1 ZINC001273375680 1091110380 /nfs/dbraw/zinc/11/03/80/1091110380.db2.gz RMVYGOSOBHFVFP-KRWDZBQOSA-N 0 3 319.493 2.383 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](C)OCC2CC2)C(C)(C)C1 ZINC001274415986 1091231909 /nfs/dbraw/zinc/23/19/09/1091231909.db2.gz KISJBJULPWCTQX-ZBFHGGJFSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001274429767 1091237711 /nfs/dbraw/zinc/23/77/11/1091237711.db2.gz GPCGXCSWVOMPIW-PIGHNIFASA-N 0 3 320.458 2.491 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(C)C(=O)C(C)(C)N(C)CC)C1 ZINC001295777775 1091255539 /nfs/dbraw/zinc/25/55/39/1091255539.db2.gz LQERSXDPWGTGLK-HNNXBMFYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3occc3OC)C2)C1=O ZINC001274462753 1091256978 /nfs/dbraw/zinc/25/69/78/1091256978.db2.gz YUHWPAUNQQGSER-KRWDZBQOSA-N 0 3 304.390 2.289 20 30 DEEDHN Cc1cccnc1CN1CC[C@@H](NC(=O)C#CC2CC2)C[C@H]1C ZINC001274624897 1091331982 /nfs/dbraw/zinc/33/19/82/1091331982.db2.gz SVSXVJBZOFMKSA-NVXWUHKLSA-N 0 3 311.429 2.273 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCCc2csc(C)n2)C[C@@H]1C ZINC001274626399 1091335518 /nfs/dbraw/zinc/33/55/18/1091335518.db2.gz YTAKKCPXFSLFEK-DZGCQCFKSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cc(OCC)ccn3)C2)C1=O ZINC001274634758 1091342320 /nfs/dbraw/zinc/34/23/20/1091342320.db2.gz DJSIVKNQAKVQSZ-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(CCOC)CCC2)C[C@H]1C ZINC001274654779 1091353672 /nfs/dbraw/zinc/35/36/72/1091353672.db2.gz OTTMNQURIKPUPY-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2c(C)cccc2C)C[C@H]1C ZINC001274654309 1091354783 /nfs/dbraw/zinc/35/47/83/1091354783.db2.gz NOKUMEKDWCRNHR-IAGOWNOFSA-N 0 3 314.429 2.285 20 30 DEEDHN CN1CC[C@]2(CCCN(Cc3ccc(C#N)s3)CC2)C1=O ZINC001274746954 1091395917 /nfs/dbraw/zinc/39/59/17/1091395917.db2.gz XBPPHDKVZWIDPD-INIZCTEOSA-N 0 3 303.431 2.454 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cccc(C#N)n3)CC2)C1=O ZINC001274793822 1091422585 /nfs/dbraw/zinc/42/25/85/1091422585.db2.gz LEGFTRNSUDSVMG-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCCCN1C[C@@H]2COC[C@H](C1)N2Cc1scnc1C ZINC001274962859 1091490150 /nfs/dbraw/zinc/49/01/50/1091490150.db2.gz WDGZALADGVTCCK-GASCZTMLSA-N 0 3 307.463 2.303 20 30 DEEDHN C=CCCCN1C[C@@H]2OCCN(Cc3scnc3C)[C@H]2C1 ZINC001274962950 1091490722 /nfs/dbraw/zinc/49/07/22/1091490722.db2.gz YAKONUMTTKIHOM-GJZGRUSLSA-N 0 3 307.463 2.303 20 30 DEEDHN O=C(C(F)F)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001274965555 1091492516 /nfs/dbraw/zinc/49/25/16/1091492516.db2.gz NNVOEABCSAVCKZ-HNNXBMFYSA-N 0 3 306.356 2.274 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccccc1CC(C)C ZINC001275046334 1091528724 /nfs/dbraw/zinc/52/87/24/1091528724.db2.gz RQPZHGOTNVHRFQ-MRXNPFEDSA-N 0 3 316.445 2.243 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(F)cn1 ZINC001275063938 1091537249 /nfs/dbraw/zinc/53/72/49/1091537249.db2.gz YTCFGIKCZMLKBC-QZTJIDSGSA-N 0 3 323.371 2.229 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1conc1C(F)(F)F ZINC001275128313 1091573258 /nfs/dbraw/zinc/57/32/58/1091573258.db2.gz GJQMQAXWMTYCMJ-SNVBAGLBSA-N 0 3 317.311 2.416 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cn(CCC)nc1C ZINC001275151018 1091586317 /nfs/dbraw/zinc/58/63/17/1091586317.db2.gz SMQDPXWVEDNUNW-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001275375212 1091696825 /nfs/dbraw/zinc/69/68/25/1091696825.db2.gz GSSPWIDUNQIBOR-CABCVRRESA-N 0 3 320.396 2.034 20 30 DEEDHN C[C@@H](NC(=O)Cc1cccnc1)[C@H](C)NCC#Cc1ccccc1 ZINC001275384845 1091704979 /nfs/dbraw/zinc/70/49/79/1091704979.db2.gz FBVYJISLVOLRFP-DLBZAZTESA-N 0 3 321.424 2.159 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN(C)C[C@@H](O)c1ccc(F)cc1 ZINC001275521509 1091828080 /nfs/dbraw/zinc/82/80/80/1091828080.db2.gz ROHGNCXOAAWJCU-XJKSGUPXSA-N 0 3 308.397 2.262 20 30 DEEDHN COCc1cccc(CN(C)C[C@@H](C)NC(=O)C#CC2CC2)c1 ZINC001275552479 1091852074 /nfs/dbraw/zinc/85/20/74/1091852074.db2.gz RIRXTPQUAPXPPT-OAHLLOKOSA-N 0 3 314.429 2.183 20 30 DEEDHN C[C@@H](CN(C)CCOCc1ccccc1)NC(=O)C#CC1CC1 ZINC001275551574 1091853763 /nfs/dbraw/zinc/85/37/63/1091853763.db2.gz IVEHOBJFJQFEIU-INIZCTEOSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(OC)cs2)CC1 ZINC000948674191 1091877388 /nfs/dbraw/zinc/87/73/88/1091877388.db2.gz QZXFEXGOYXDYKV-ZDUSSCGKSA-N 0 3 306.431 2.316 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc3c2OCC3)CC1 ZINC000948788824 1091936950 /nfs/dbraw/zinc/93/69/50/1091936950.db2.gz DNYMRCVNBJZTJX-MRXNPFEDSA-N 0 3 312.413 2.181 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000948861223 1091969728 /nfs/dbraw/zinc/96/97/28/1091969728.db2.gz LLWKLPWCOBJAKD-INIZCTEOSA-N 0 3 316.449 2.080 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2nc(C)oc2C)CC1 ZINC000948885524 1091980134 /nfs/dbraw/zinc/98/01/34/1091980134.db2.gz ANYYNYLAWIIBCJ-HNNXBMFYSA-N 0 3 303.406 2.241 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccc(C)o1)CCO2 ZINC000949015033 1092030355 /nfs/dbraw/zinc/03/03/55/1092030355.db2.gz JBSOLKBEADUZKY-UHFFFAOYSA-N 0 3 304.390 2.081 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1CCC3)CCO2 ZINC000949142164 1092057315 /nfs/dbraw/zinc/05/73/15/1092057315.db2.gz UKCVTLZJQBRGSK-CRAIPNDOSA-N 0 3 304.434 2.056 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc3cc[nH]c3cn1)CC2 ZINC001273799997 1092066364 /nfs/dbraw/zinc/06/63/64/1092066364.db2.gz FBVRSMDCZFWXMG-MRXNPFEDSA-N 0 3 324.428 2.467 20 30 DEEDHN C#Cc1cccc(CN2CC[C@]3(C2)CN(CC(=C)C)C(=O)CO3)c1 ZINC001273800643 1092067200 /nfs/dbraw/zinc/06/72/00/1092067200.db2.gz RXNGXAURANYNFT-FQEVSTJZSA-N 0 3 324.424 2.047 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC13CCC3)CCO2 ZINC000949202028 1092069247 /nfs/dbraw/zinc/06/92/47/1092069247.db2.gz BHSTZLSAELOHJY-HNNXBMFYSA-N 0 3 304.434 2.056 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC000949337892 1092113135 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C=CCN(C)[C@H](C)CNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001275986138 1092443274 /nfs/dbraw/zinc/44/32/74/1092443274.db2.gz JBDPXPRVQACBBB-CRAIPNDOSA-N 0 3 302.418 2.315 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)CN(C)CCC)CC[C@H]1C ZINC001488694092 1092691532 /nfs/dbraw/zinc/69/15/32/1092691532.db2.gz VWKMFQHJNCOXLB-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)c1cc[nH]c1 ZINC001488738362 1092717207 /nfs/dbraw/zinc/71/72/07/1092717207.db2.gz WVCMDLAJLONORL-MAEOIBBWSA-N 0 3 307.397 2.164 20 30 DEEDHN C/C=C(\C)C(=O)N[C@@H]1[C@@H]2CCCN(CC#CCOC)[C@@H]2C1(C)C ZINC001489088503 1092939809 /nfs/dbraw/zinc/93/98/09/1092939809.db2.gz VWGLDIVHHWKBMQ-QFOKTXRVSA-N 0 3 318.461 2.208 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)c1ccoc1 ZINC001489376878 1093037247 /nfs/dbraw/zinc/03/72/47/1093037247.db2.gz DELOZEMYLIUDQR-UHFFFAOYSA-N 0 3 308.381 2.429 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]1CC ZINC001490000476 1093182993 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2.433 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)[C@H]1C ZINC001691741106 1138262497 /nfs/dbraw/zinc/26/24/97/1138262497.db2.gz LACCXHJQLOIIJM-WOPDTQHZSA-N 0 3 308.344 2.109 20 30 DEEDHN N#Cc1ccc(CN2CCN3CC[C@H]3C2)cc1Br ZINC001236858706 1138444811 /nfs/dbraw/zinc/44/48/11/1138444811.db2.gz DOFBBRNFDCKDTM-ZDUSSCGKSA-N 0 3 306.207 2.211 20 30 DEEDHN CO[C@@H]1CCC[C@@H]2CN(Cc3cn4cc(C#N)ccc4n3)C[C@@H]21 ZINC001237616060 1138718623 /nfs/dbraw/zinc/71/86/23/1138718623.db2.gz YYMAIEYHXNIURW-HYVNUMGLSA-N 0 3 310.401 2.453 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)N[C@H](C)c1ccccc1C ZINC001278130225 1138745658 /nfs/dbraw/zinc/74/56/58/1138745658.db2.gz TXCVKRNMHJPIAN-HUUCEWRRSA-N 0 3 304.434 2.335 20 30 DEEDHN C#CCN(C(=O)CC[C@H](C)OC)C1CCN(CC(=C)C)CC1 ZINC001278144009 1138785066 /nfs/dbraw/zinc/78/50/66/1138785066.db2.gz CUZSUMFNRDQJPB-INIZCTEOSA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001278171724 1138813386 /nfs/dbraw/zinc/81/33/86/1138813386.db2.gz LAZANQSPHJBIBT-GBESFXJTSA-N 0 3 324.424 2.196 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001278229626 1138844700 /nfs/dbraw/zinc/84/47/00/1138844700.db2.gz AVHLSLYBUQDLQA-TZMCWYRMSA-N 0 3 323.824 2.017 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001293869113 1139052512 /nfs/dbraw/zinc/05/25/12/1139052512.db2.gz MGLWYFIYBLNDGN-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1n[nH]c(C)c1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240123104 1139247392 /nfs/dbraw/zinc/24/73/92/1139247392.db2.gz GECRBTZIEVUKPX-LLVKDONJSA-N 0 3 313.361 2.432 20 30 DEEDHN N#Cc1cc(-c2cc(-c3nnn[n-]3)ccc2F)cc(C2C[NH2+]C2)c1 ZINC001240356472 1139347218 /nfs/dbraw/zinc/34/72/18/1139347218.db2.gz UJXGXWKRBOFWOE-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN N#Cc1cc(-c2cc(-c3nn[n-]n3)ccc2F)cc(C2C[NH2+]C2)c1 ZINC001240356472 1139347229 /nfs/dbraw/zinc/34/72/29/1139347229.db2.gz UJXGXWKRBOFWOE-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN Cc1cc(-c2nnn[n-]2)ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240360683 1139349417 /nfs/dbraw/zinc/34/94/17/1139349417.db2.gz FUDPVHFCBFPWEB-UHFFFAOYSA-N 0 3 316.368 2.401 20 30 DEEDHN Cc1cc(-c2nn[n-]n2)ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240360683 1139349425 /nfs/dbraw/zinc/34/94/25/1139349425.db2.gz FUDPVHFCBFPWEB-UHFFFAOYSA-N 0 3 316.368 2.401 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc2n1[C@H](C)CCC2 ZINC001297372874 1139864691 /nfs/dbraw/zinc/86/46/91/1139864691.db2.gz ICWCPLPYDFYZBC-CQSZACIVSA-N 0 3 304.438 2.360 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001297377888 1139865100 /nfs/dbraw/zinc/86/51/00/1139865100.db2.gz CUCSLDIUODTWPI-UHFFFAOYSA-N 0 3 305.378 2.483 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001491591401 1140184543 /nfs/dbraw/zinc/18/45/43/1140184543.db2.gz CZHKVOUKGQLDIK-ZDUSSCGKSA-N 0 3 320.433 2.243 20 30 DEEDHN Cc1cncc(CN[C@H](C)CNC(=O)CC#Cc2ccccc2)c1 ZINC001491687614 1140251544 /nfs/dbraw/zinc/25/15/44/1140251544.db2.gz QNPBBUXDMGSVFI-QGZVFWFLSA-N 0 3 321.424 2.426 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC001491696498 1140259732 /nfs/dbraw/zinc/25/97/32/1140259732.db2.gz FUJGVESTGAUUHG-IUDNXUCKSA-N 0 3 302.393 2.437 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001491672046 1140276419 /nfs/dbraw/zinc/27/64/19/1140276419.db2.gz CTUJZMVQVQUUHN-NSHDSACASA-N 0 3 302.403 2.164 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001491739905 1140292338 /nfs/dbraw/zinc/29/23/38/1140292338.db2.gz OQCCFHCHXKUBDJ-STQMWFEESA-N 0 3 306.356 2.282 20 30 DEEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1ccnc(Cl)c1 ZINC001318524999 1140359105 /nfs/dbraw/zinc/35/91/05/1140359105.db2.gz RBBCLHZPAQVHCC-CQSZACIVSA-N 0 3 305.809 2.133 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001278389712 1140471621 /nfs/dbraw/zinc/47/16/21/1140471621.db2.gz AHNVFQCAMRDLGB-STQMWFEESA-N 0 3 322.840 2.333 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCOC[C@H]2C)cc1 ZINC001318999849 1140489170 /nfs/dbraw/zinc/48/91/70/1140489170.db2.gz DVJVIAIEQAEDGA-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001319066784 1140498661 /nfs/dbraw/zinc/49/86/61/1140498661.db2.gz QETGQJOUMBKDEJ-BXUZGUMPSA-N 0 3 321.248 2.213 20 30 DEEDHN C=CCCC(=O)N1CCC2(CN(CCOCC3CC3)C2)CC1 ZINC001319394575 1140563419 /nfs/dbraw/zinc/56/34/19/1140563419.db2.gz IISDRANLJFWKQY-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001319461368 1140583347 /nfs/dbraw/zinc/58/33/47/1140583347.db2.gz BLDZUIKKJBENCB-GJZGRUSLSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCC(=O)N1CCCC[C@H]1C ZINC001319512104 1140606673 /nfs/dbraw/zinc/60/66/73/1140606673.db2.gz VDOFNTYTDXDMAK-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1c[nH]cc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319573948 1140617833 /nfs/dbraw/zinc/61/78/33/1140617833.db2.gz JOKAFPHLFZJCPL-MRXNPFEDSA-N 0 3 309.413 2.425 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)[C@@H](C)c1ccco1 ZINC001319633266 1140629057 /nfs/dbraw/zinc/62/90/57/1140629057.db2.gz FYIOWPQGZQILON-JKSUJKDBSA-N 0 3 320.433 2.153 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cncc(OC(C)C)c1 ZINC001320031991 1140813822 /nfs/dbraw/zinc/81/38/22/1140813822.db2.gz BJBWDTATBVPNLJ-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2conc2C)C1 ZINC001320096450 1140821117 /nfs/dbraw/zinc/82/11/17/1140821117.db2.gz JPVCALOSVPSPMS-RDJZCZTQSA-N 0 3 315.417 2.209 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)CC[C@@H]21 ZINC001320102337 1140822027 /nfs/dbraw/zinc/82/20/27/1140822027.db2.gz FVXIPQUJBMNYSC-MSOLQXFVSA-N 0 3 316.445 2.059 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1cc(C)n(C)n1 ZINC001320152837 1140831089 /nfs/dbraw/zinc/83/10/89/1140831089.db2.gz LFDZGMZEANXERJ-DOTOQJQBSA-N 0 3 318.465 2.459 20 30 DEEDHN C=CCO[C@H]1CCN(CCOc2ccccc2C(=O)OC)C1 ZINC001320320837 1140849222 /nfs/dbraw/zinc/84/92/22/1140849222.db2.gz JUKIAJHOLJFWPZ-AWEZNQCLSA-N 0 3 305.374 2.129 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccnn1C1CCC1 ZINC001320415448 1140862765 /nfs/dbraw/zinc/86/27/65/1140862765.db2.gz QYQHAONYQWEKSF-GFCCVEGCSA-N 0 3 310.829 2.459 20 30 DEEDHN C=CC[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC001320424121 1140863920 /nfs/dbraw/zinc/86/39/20/1140863920.db2.gz FSCZJFSXGOBVMZ-HUUCEWRRSA-N 0 3 310.438 2.121 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1ccsn1 ZINC001320458762 1140868269 /nfs/dbraw/zinc/86/82/69/1140868269.db2.gz LSVNTRWEFMHJRY-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001320490191 1140871469 /nfs/dbraw/zinc/87/14/69/1140871469.db2.gz HSNMNBOVPNWIRH-LBPRGKRZSA-N 0 3 320.824 2.342 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3cccnc3)CCC[C@H]12 ZINC001278449998 1140916801 /nfs/dbraw/zinc/91/68/01/1140916801.db2.gz ATDALBXSBMSQFU-HKUYNNGSSA-N 0 3 311.429 2.151 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)COC3CCCCC3)CCC[C@H]12 ZINC001278453421 1140928824 /nfs/dbraw/zinc/92/88/24/1140928824.db2.gz UKNGEJFUGKNBLK-HKUYNNGSSA-N 0 3 318.461 2.472 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001321201468 1141083054 /nfs/dbraw/zinc/08/30/54/1141083054.db2.gz WUNKUBIUUTXVLU-QDLOVBKTSA-N 0 3 321.371 2.453 20 30 DEEDHN CCCCCCCCNC(=S)N1CCO[C@@H](CN(C)C)C1 ZINC001247140497 1141306845 /nfs/dbraw/zinc/30/68/45/1141306845.db2.gz KZCBTQJWAJTJKN-HNNXBMFYSA-N 0 3 315.527 2.484 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)/C=C/c1ccc[nH]1 ZINC001321501652 1141294340 /nfs/dbraw/zinc/29/43/40/1141294340.db2.gz SEOUEISQMDMTLD-RPTYSRGTSA-N 0 3 314.414 2.256 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)CC[C@H](C)c1ccccc1 ZINC001321661701 1141323798 /nfs/dbraw/zinc/32/37/98/1141323798.db2.gz AWDMVLRKZUQZML-DLBZAZTESA-N 0 3 316.445 2.314 20 30 DEEDHN C#CCCCC(=O)N1CC[C@](C)(CN[C@@H](C)c2cnccn2)C1 ZINC001278484767 1141348438 /nfs/dbraw/zinc/34/84/38/1141348438.db2.gz NGLVRZLHTYNOSB-MAUKXSAKSA-N 0 3 314.433 2.169 20 30 DEEDHN C(#Cc1ccccc1)c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247410080 1141349150 /nfs/dbraw/zinc/34/91/50/1141349150.db2.gz BBADFIXKWJHQDI-UHFFFAOYSA-N 0 3 302.337 2.177 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001321956038 1141371626 /nfs/dbraw/zinc/37/16/26/1141371626.db2.gz MARRFNOZZLPTSQ-QMCVQRASSA-N 0 3 314.404 2.318 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)[C@H](C)CC1CCCCC1 ZINC001322003863 1141379519 /nfs/dbraw/zinc/37/95/19/1141379519.db2.gz FFHPFFMOGNJKSI-CVEARBPZSA-N 0 3 308.466 2.337 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001322158587 1141418942 /nfs/dbraw/zinc/41/89/42/1141418942.db2.gz VNIOKQZTQXQMHN-ZIAGYGMSSA-N 0 3 322.836 2.315 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ncn2ccc(C)cc12 ZINC001322581184 1141636080 /nfs/dbraw/zinc/63/60/80/1141636080.db2.gz OAYVKJKKXUQSDK-UHFFFAOYSA-N 0 3 320.824 2.447 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2c1OCC2 ZINC001322705256 1141691358 /nfs/dbraw/zinc/69/13/58/1141691358.db2.gz ISBBOOGVZQIFII-UHFFFAOYSA-N 0 3 308.809 2.426 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cncn1C)C1CC1 ZINC001323075869 1141809123 /nfs/dbraw/zinc/80/91/23/1141809123.db2.gz GFTVIZGITVWLAQ-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001323293733 1141838846 /nfs/dbraw/zinc/83/88/46/1141838846.db2.gz OBJNFDCZUZFRNO-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2ccc(C)cc2C)CC1 ZINC001323458563 1141855036 /nfs/dbraw/zinc/85/50/36/1141855036.db2.gz YNIAAJQGJJVQEI-UHFFFAOYSA-N 0 3 314.429 2.334 20 30 DEEDHN COC(=O)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001249208151 1141860035 /nfs/dbraw/zinc/86/00/35/1141860035.db2.gz NNFWVHUNZCQJDQ-MKZZRHPPSA-N 0 3 314.385 2.374 20 30 DEEDHN COC(=O)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001249208151 1141860036 /nfs/dbraw/zinc/86/00/36/1141860036.db2.gz NNFWVHUNZCQJDQ-MKZZRHPPSA-N 0 3 314.385 2.374 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H](C)c2cccc(OC)c2)CC1 ZINC001323625038 1141871419 /nfs/dbraw/zinc/87/14/19/1141871419.db2.gz SWWVKLAJWGBGEV-HNNXBMFYSA-N 0 3 314.429 2.451 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CCC)OCC)C2)C1 ZINC001323858842 1141893649 /nfs/dbraw/zinc/89/36/49/1141893649.db2.gz GLYGKPYIYDZDQQ-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN O=C([C@@H]1CC1(F)F)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001324155312 1142017869 /nfs/dbraw/zinc/01/78/69/1142017869.db2.gz NEIUBLSDKBTOIE-HOTGVXAUSA-N 0 3 318.367 2.274 20 30 DEEDHN C#CCN1CCC(C)(NC(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001324318846 1142055280 /nfs/dbraw/zinc/05/52/80/1142055280.db2.gz PRTNBTKXZMXQBK-MRXNPFEDSA-N 0 3 316.449 2.074 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C(C)(C)CC=C)C2)CC1 ZINC001324353036 1142061928 /nfs/dbraw/zinc/06/19/28/1142061928.db2.gz NIICKDQMWJWJDK-INIZCTEOSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN(C(=O)[C@H](C)[C@@H](C)COC)C1CCN(CC=C)CC1 ZINC001324396131 1142069292 /nfs/dbraw/zinc/06/92/92/1142069292.db2.gz DNYZLMPSSUIVSH-JKSUJKDBSA-N 0 3 306.450 2.017 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCC[C@H]1C)C1CCN(CCOC)CC1 ZINC001324397899 1142070905 /nfs/dbraw/zinc/07/09/05/1142070905.db2.gz VNRAJDIFWRLCRF-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)C1CCN(CCO)CC1 ZINC001324432592 1142077408 /nfs/dbraw/zinc/07/74/08/1142077408.db2.gz YZTPQNNRVLEBTG-FUHWJXTLSA-N 0 3 320.477 2.121 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1CCC1)C2 ZINC001324551173 1142099353 /nfs/dbraw/zinc/09/93/53/1142099353.db2.gz YUSSKQPGGBKSHR-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001324614744 1142155014 /nfs/dbraw/zinc/15/50/14/1142155014.db2.gz KDLOOKVJIZJAPF-SFHVURJKSA-N 0 3 312.417 2.111 20 30 DEEDHN N#Cc1cncc(CNC[C@H](O)COc2ccc(Cl)cc2)c1 ZINC001250690669 1142267817 /nfs/dbraw/zinc/26/78/17/1142267817.db2.gz IISHHPIAMWIFII-HNNXBMFYSA-N 0 3 317.776 2.136 20 30 DEEDHN C#CCN(C)C[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001250902744 1142346228 /nfs/dbraw/zinc/34/62/28/1142346228.db2.gz DSQJFPOOTWQTLL-LLVKDONJSA-N 0 3 302.201 2.436 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ocnc2C2CC2)CC1 ZINC001278626999 1142374151 /nfs/dbraw/zinc/37/41/51/1142374151.db2.gz KMAHDYDKBYLMJH-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)C2=CCCCCC2)CC1(C)C ZINC001278634070 1142427164 /nfs/dbraw/zinc/42/71/64/1142427164.db2.gz CNPYVNOMSKAJIC-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCOC[C@@H](O)CNC1(c2ccccc2C(F)(F)F)CC1 ZINC001251891476 1142534567 /nfs/dbraw/zinc/53/45/67/1142534567.db2.gz TZTJRAGNLKQNMG-LBPRGKRZSA-N 0 3 313.319 2.295 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC001337127906 1142692131 /nfs/dbraw/zinc/69/21/31/1142692131.db2.gz JRLPJNWGFPUTMJ-CQSZACIVSA-N 0 3 315.417 2.116 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)CCOCC(F)(F)F)C1 ZINC001278668549 1142732115 /nfs/dbraw/zinc/73/21/15/1142732115.db2.gz OTPLZMJHIRBGGE-CQSZACIVSA-N 0 3 322.371 2.360 20 30 DEEDHN C=CCC[C@@H](O)CN1CCO[C@]2(CCC[C@H]2COCC=C)C1 ZINC001252598190 1142780528 /nfs/dbraw/zinc/78/05/28/1142780528.db2.gz KUBXMLIQTFLUIL-RCCFBDPRSA-N 0 3 309.450 2.387 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC001337760168 1142800265 /nfs/dbraw/zinc/80/02/65/1142800265.db2.gz HWOFAEOMVFMMRU-OALUTQOASA-N 0 3 310.441 2.327 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2ccncc2Br)C1 ZINC001338185515 1142836743 /nfs/dbraw/zinc/83/67/43/1142836743.db2.gz CIFSLSPYHFVQGC-CYBMUJFWSA-N 0 3 308.223 2.031 20 30 DEEDHN C=CC[C@H]1NC(=O)N([C@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC001339059847 1142909891 /nfs/dbraw/zinc/90/98/91/1142909891.db2.gz DQKSDROJUSKHDU-JKSUJKDBSA-N 0 3 313.401 2.148 20 30 DEEDHN COc1cccc(OC[C@@H](O)CN2CCC[C@H](C#N)CC2)c1 ZINC001253954501 1143010188 /nfs/dbraw/zinc/01/01/88/1143010188.db2.gz CETMCWWIRVVKSX-GJZGRUSLSA-N 0 3 304.390 2.061 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC=C(C)CC1 ZINC001339484149 1143041849 /nfs/dbraw/zinc/04/18/49/1143041849.db2.gz MZOZJOJJTDELFB-HNNXBMFYSA-N 0 3 301.438 2.430 20 30 DEEDHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](N1CC(CC#N)C1)CCO2 ZINC001254819382 1143327760 /nfs/dbraw/zinc/32/77/60/1143327760.db2.gz QPOPIXGXDPQLIH-CQSZACIVSA-N 0 3 321.421 2.000 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H]1CCSC1 ZINC001340443191 1143347047 /nfs/dbraw/zinc/34/70/47/1143347047.db2.gz IBYSIAGYSLGENH-KGLIPLIRSA-N 0 3 321.494 2.215 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001278826916 1143362199 /nfs/dbraw/zinc/36/21/99/1143362199.db2.gz BVPOVIJFEVKMTP-VJFUWPCTSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC001340651068 1143390555 /nfs/dbraw/zinc/39/05/55/1143390555.db2.gz OEIRCURLANBULM-KRWDZBQOSA-N 0 3 312.417 2.215 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1nc2ccccc2n1C ZINC001340873988 1143475431 /nfs/dbraw/zinc/47/54/31/1143475431.db2.gz WOSGEOPDLGNVEF-OLZOCXBDSA-N 0 3 300.406 2.434 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001341044947 1143529428 /nfs/dbraw/zinc/52/94/28/1143529428.db2.gz IUYHCHPFQOATIV-GRYCIOLGSA-N 0 3 321.343 2.014 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001341471535 1143608902 /nfs/dbraw/zinc/60/89/02/1143608902.db2.gz FJTDSIVRQNLJEJ-IAGOWNOFSA-N 0 3 313.401 2.142 20 30 DEEDHN COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c(C)c1 ZINC001342111388 1143791488 /nfs/dbraw/zinc/79/14/88/1143791488.db2.gz OFKJFGMVSDRHLT-MRXNPFEDSA-N 0 3 314.385 2.314 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001342339249 1143812135 /nfs/dbraw/zinc/81/21/35/1143812135.db2.gz LFYRCJSPWZDKQR-JKSUJKDBSA-N 0 3 306.381 2.489 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1ccn(C)n1)c1ccccc1CC ZINC001278974557 1143873947 /nfs/dbraw/zinc/87/39/47/1143873947.db2.gz AGEDXHWPFBMPOM-QGZVFWFLSA-N 0 3 312.417 2.229 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H](CF)C1 ZINC001262941752 1144343746 /nfs/dbraw/zinc/34/37/46/1144343746.db2.gz SXBLBSYLZFRZMR-CABCVRRESA-N 0 3 321.444 2.459 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cccc(OCC)n1 ZINC001263294237 1144366466 /nfs/dbraw/zinc/36/64/66/1144366466.db2.gz PQDMOLYWZHQEIY-AWEZNQCLSA-N 0 3 317.389 2.038 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)Cc1ncccc1F ZINC001263806641 1144396522 /nfs/dbraw/zinc/39/65/22/1144396522.db2.gz DFYLVOOHCUQKQP-AWEZNQCLSA-N 0 3 305.397 2.262 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncc[nH]1 ZINC001263953880 1144431253 /nfs/dbraw/zinc/43/12/53/1144431253.db2.gz ZCVPQMXFMPOYBN-DGCLKSJQSA-N 0 3 310.829 2.383 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H]1CC ZINC001264050153 1144450298 /nfs/dbraw/zinc/45/02/98/1144450298.db2.gz COIFVXMXXVKINT-SCRDCRAPSA-N 0 3 322.371 2.235 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H](OCC)C(C)C)C[C@@H]2C1 ZINC001264090862 1144462450 /nfs/dbraw/zinc/46/24/50/1144462450.db2.gz GVCNSBAFMOQPTP-SQNIBIBYSA-N 0 3 320.477 2.241 20 30 DEEDHN CCCCCNCc1nc2c(s1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001264188569 1144502450 /nfs/dbraw/zinc/50/24/50/1144502450.db2.gz NGOPAXSUZFJTSZ-LBPRGKRZSA-N 0 3 320.462 2.467 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)CC(C)(C)C1 ZINC001264194909 1144504782 /nfs/dbraw/zinc/50/47/82/1144504782.db2.gz IENYNQKBEOTENZ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCCCOC)C2)CC1 ZINC001264496127 1144547954 /nfs/dbraw/zinc/54/79/54/1144547954.db2.gz XAETYLRWKXUJFU-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ccnn1C ZINC001264507883 1144550917 /nfs/dbraw/zinc/55/09/17/1144550917.db2.gz ALJVXALZXKRSSC-OCCSQVGLSA-N 0 3 324.856 2.393 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C=CC(C)(C)C)n1 ZINC001264580542 1144570638 /nfs/dbraw/zinc/57/06/38/1144570638.db2.gz YKDQUUGAYPANDI-SREVYHEPSA-N 0 3 318.421 2.066 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC[C@H]2CCCCO2)[C@H]1CC ZINC001264619761 1144579344 /nfs/dbraw/zinc/57/93/44/1144579344.db2.gz GOPYUBCNQPMGFL-IXDOHACOSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001264629881 1144582636 /nfs/dbraw/zinc/58/26/36/1144582636.db2.gz GCRKZYSDASSACQ-SJORKVTESA-N 0 3 320.477 2.428 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCCCN(C(=O)C=C(C)C)C1 ZINC001264670830 1144588451 /nfs/dbraw/zinc/58/84/51/1144588451.db2.gz JAKBRPYYXWSIGQ-CVEARBPZSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001264673532 1144589715 /nfs/dbraw/zinc/58/97/15/1144589715.db2.gz QVRLNEZZGMOYNN-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001265009828 1144624546 /nfs/dbraw/zinc/62/45/46/1144624546.db2.gz HAWUFOIGYTXVJM-SJORKVTESA-N 0 3 320.477 2.313 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1CC1 ZINC001265183699 1144662489 /nfs/dbraw/zinc/66/24/89/1144662489.db2.gz CHMSRHIZROXPPA-XYJQFASLSA-N 0 3 300.446 2.273 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCn2nc(C)cc2C)C1 ZINC001265220904 1144670641 /nfs/dbraw/zinc/67/06/41/1144670641.db2.gz ROZIPIGGNOJWCC-INIZCTEOSA-N 0 3 304.438 2.047 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001265244607 1144675579 /nfs/dbraw/zinc/67/55/79/1144675579.db2.gz IYDYKNZBQVZSBF-KURKYZTESA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001265274952 1144679390 /nfs/dbraw/zinc/67/93/90/1144679390.db2.gz JVMLERCHDOQRTQ-WBVHZDCISA-N 0 3 300.402 2.067 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001265283430 1144681859 /nfs/dbraw/zinc/68/18/59/1144681859.db2.gz FLBJKDAMQJSBKA-KRWDZBQOSA-N 0 3 316.832 2.486 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1ccnn1C)C1CC1 ZINC001265356583 1144697840 /nfs/dbraw/zinc/69/78/40/1144697840.db2.gz NVDFQVJIPAIFNV-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001265376355 1144699802 /nfs/dbraw/zinc/69/98/02/1144699802.db2.gz LYTISNBWJISESV-QGZVFWFLSA-N 0 3 323.396 2.133 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001265456137 1144704986 /nfs/dbraw/zinc/70/49/86/1144704986.db2.gz 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C#CCCCC(=O)N[C@H]1C[C@H](NCc2nc3ccccc3n2C)C1 ZINC001317074292 1147656298 /nfs/dbraw/zinc/65/62/98/1147656298.db2.gz BIJKJEDTNYNYAE-SHTZXODSSA-N 0 3 324.428 2.114 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001367169725 1147659894 /nfs/dbraw/zinc/65/98/94/1147659894.db2.gz DZHTVXAFKGCIOV-XJKCOSOUSA-N 0 3 322.840 2.140 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2F)C1 ZINC001317130124 1147663282 /nfs/dbraw/zinc/66/32/82/1147663282.db2.gz AQXKEULIXLRIEJ-AWEZNQCLSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2cccc3cccnc32)C1 ZINC001317141628 1147665814 /nfs/dbraw/zinc/66/58/14/1147665814.db2.gz ZQIVYCFWODMYQA-INIZCTEOSA-N 0 3 321.424 2.239 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCCC(=O)NC(C)C ZINC001317181235 1147672566 /nfs/dbraw/zinc/67/25/66/1147672566.db2.gz QNFYYZHAQPQICV-MRXNPFEDSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001317195495 1147674438 /nfs/dbraw/zinc/67/44/38/1147674438.db2.gz 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/nfs/dbraw/zinc/68/74/58/1147687458.db2.gz PZUDQFMZPGDCCD-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ncoc2-c2ccccc2)C1 ZINC001317301901 1147687961 /nfs/dbraw/zinc/68/79/61/1147687961.db2.gz GDJGEVFDAPYXLM-HNNXBMFYSA-N 0 3 309.369 2.169 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001317310696 1147689122 /nfs/dbraw/zinc/68/91/22/1147689122.db2.gz XAFPTPLFHGWKMC-WMZOPIPTSA-N 0 3 314.429 2.403 20 30 DEEDHN Cc1cc(CN[C@H]2CCC[C@@H](NC(=O)C#CC(C)C)C2)on1 ZINC001317360529 1147696069 /nfs/dbraw/zinc/69/60/69/1147696069.db2.gz ZRFANIDEIVWQDA-LSDHHAIUSA-N 0 3 303.406 2.159 20 30 DEEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@H](C)OC)cc1 ZINC001317371365 1147697733 /nfs/dbraw/zinc/69/77/33/1147697733.db2.gz UKYWPWQOGNICNB-ZDUSSCGKSA-N 0 3 310.825 2.222 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1Cc1cncc(F)c1 ZINC001317424662 1147705620 /nfs/dbraw/zinc/70/56/20/1147705620.db2.gz FQUQMUHEFQMEGP-XJKSGUPXSA-N 0 3 318.396 2.241 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001367539451 1147712209 /nfs/dbraw/zinc/71/22/09/1147712209.db2.gz ZYUTYRJXCLDCOR-UHFFFAOYSA-N 0 3 303.878 2.107 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1CCCCC(F)(F)F ZINC001317494582 1147714846 /nfs/dbraw/zinc/71/48/46/1147714846.db2.gz DZIYFZFYYRLASX-NEPJUHHUSA-N 0 3 305.344 2.459 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(OCCOC)c1 ZINC001317513621 1147718387 /nfs/dbraw/zinc/71/83/87/1147718387.db2.gz NARCXEXURVCGQV-MRXNPFEDSA-N 0 3 318.417 2.092 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2oc(CC)nc2C)C1 ZINC001317520422 1147719318 /nfs/dbraw/zinc/71/93/18/1147719318.db2.gz ZQDTWGLXIHGUKE-OAHLLOKOSA-N 0 3 317.433 2.287 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001317542926 1147722460 /nfs/dbraw/zinc/72/24/60/1147722460.db2.gz MWELVWKESUHULO-QGZVFWFLSA-N 0 3 314.429 2.241 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cn(C)nc1C1CC1)C1CC1 ZINC001317551832 1147723844 /nfs/dbraw/zinc/72/38/44/1147723844.db2.gz PUADXDRFXRKMPW-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001367665678 1147724047 /nfs/dbraw/zinc/72/40/47/1147724047.db2.gz HLMQALQNZOZZEU-MNOVXSKESA-N 0 3 311.476 2.356 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1Cc2ccccc2O1)C1CC1 ZINC001317555726 1147724456 /nfs/dbraw/zinc/72/44/56/1147724456.db2.gz RHBQXVAGHZVSKI-QGZVFWFLSA-N 0 3 300.402 2.147 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001317587102 1147729396 /nfs/dbraw/zinc/72/93/96/1147729396.db2.gz VDNWHAXKGUGYBR-AWEZNQCLSA-N 0 3 314.385 2.019 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cc(CC)nn1C)c1ccccc1 ZINC001317727513 1147747653 /nfs/dbraw/zinc/74/76/53/1147747653.db2.gz TVFXMUNIJKAIRN-KRWDZBQOSA-N 0 3 324.428 2.067 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCOCC1 ZINC001317747596 1147748693 /nfs/dbraw/zinc/74/86/93/1147748693.db2.gz WYEZHQKNQBGCPH-CALCHBBNSA-N 0 3 318.461 2.445 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)CCC2(C)CC2)C1 ZINC001317804673 1147754351 /nfs/dbraw/zinc/75/43/51/1147754351.db2.gz DIZQJDVZOFQYAR-MRXNPFEDSA-N 0 3 306.450 2.045 20 30 DEEDHN CCCCCCCN1CCC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001317988246 1147764802 /nfs/dbraw/zinc/76/48/02/1147764802.db2.gz WAIDAJWNNVMIDG-INIZCTEOSA-N 0 3 323.481 2.064 20 30 DEEDHN C=C[C@H](CC(=O)NCC1CN([C@@H](C)COC)C1)c1ccccc1 ZINC001318177430 1147791663 /nfs/dbraw/zinc/79/16/63/1147791663.db2.gz WRUJAVNMCHOCBN-DOTOQJQBSA-N 0 3 316.445 2.429 20 30 DEEDHN CC(C)C[C@@H](C)CN1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001367939522 1147793072 /nfs/dbraw/zinc/79/30/72/1147793072.db2.gz UUPRVMBAWBOSNP-UKRRQHHQSA-N 0 3 302.422 2.373 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001318367550 1147816448 /nfs/dbraw/zinc/81/64/48/1147816448.db2.gz VOCDUGCFUAMYGP-SJLPKXTDSA-N 0 3 314.429 2.021 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC2(COC)CC2)C1 ZINC001324937635 1147859960 /nfs/dbraw/zinc/85/99/60/1147859960.db2.gz YKZUEHXGLVGATA-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@]1(O)CCN(CC(=C)C)C1)c1ccccc1 ZINC001325161321 1147881798 /nfs/dbraw/zinc/88/17/98/1147881798.db2.gz NFXXOPNJGLEJEE-IEBWSBKVSA-N 0 3 314.429 2.085 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1ccc(F)cc1 ZINC001325219742 1147885446 /nfs/dbraw/zinc/88/54/46/1147885446.db2.gz BEQBMCPLBDYUCH-FZMZJTMJSA-N 0 3 307.369 2.267 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H](C)SC ZINC001325690401 1147984555 /nfs/dbraw/zinc/98/45/55/1147984555.db2.gz UGLWANCFNNLZAS-HNNXBMFYSA-N 0 3 304.459 2.380 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H](C)n1ccnc1 ZINC001325701663 1147985683 /nfs/dbraw/zinc/98/56/83/1147985683.db2.gz NPWSDDITNZGXGK-QGZVFWFLSA-N 0 3 324.428 2.086 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1(C(F)(F)F)CC1 ZINC001325901165 1148016989 /nfs/dbraw/zinc/01/69/89/1148016989.db2.gz VWXPFFJRKLDFNV-QWHCGFSZSA-N 0 3 314.351 2.418 20 30 DEEDHN C#Cc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001326532322 1148134674 /nfs/dbraw/zinc/13/46/74/1148134674.db2.gz SWICHZKEIVSBRS-GOSISDBHSA-N 0 3 302.393 2.497 20 30 DEEDHN CC#CCNC1(CNC(=O)COc2cc(C)cc(C)c2)CCC1 ZINC001326930071 1148293649 /nfs/dbraw/zinc/29/36/49/1148293649.db2.gz ZZEYARJZJIWUDW-UHFFFAOYSA-N 0 3 314.429 2.334 20 30 DEEDHN Cc1ccc(CSCCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424066907 230592689 /nfs/dbraw/zinc/59/26/89/230592689.db2.gz OJDQTVKTFJLZRG-HNNXBMFYSA-N 0 3 305.447 2.366 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278385334 214133326 /nfs/dbraw/zinc/13/33/26/214133326.db2.gz IGBDSRJJWQRNIH-KZNAEPCWSA-N 0 3 314.429 2.358 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CO[C@@H](C)COC ZINC000278709858 214344080 /nfs/dbraw/zinc/34/40/80/214344080.db2.gz QRMXDYMNEBBNRA-RDJZCZTQSA-N 0 3 323.433 2.096 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C#N)cc1F ZINC000278738242 214367204 /nfs/dbraw/zinc/36/72/04/214367204.db2.gz LLOPTJMELPAXDA-CYBMUJFWSA-N 0 3 303.381 2.387 20 30 DEEDHN C=CC[C@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccs1 ZINC000090604452 185306011 /nfs/dbraw/zinc/30/60/11/185306011.db2.gz RIPLFJWPNZGRHZ-RYUDHWBXSA-N 0 3 302.465 2.217 20 30 DEEDHN C[C@@H]1CN(CC2CCN(Cc3ccc(C#N)o3)CC2)C[C@@H](C)O1 ZINC000092587209 185327648 /nfs/dbraw/zinc/32/76/48/185327648.db2.gz ZXXXZXCDQRYKPT-HUUCEWRRSA-N 0 3 317.433 2.472 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C2CCC(C(=O)OC)CC2)CC1 ZINC000180178855 334944155 /nfs/dbraw/zinc/94/41/55/334944155.db2.gz WNKUEFLPGWMBNG-UHFFFAOYSA-N 0 3 322.449 2.123 20 30 DEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCC(CO)CC1 ZINC000305076862 282338984 /nfs/dbraw/zinc/33/89/84/282338984.db2.gz LHVGVSNHZYFLQQ-UHFFFAOYSA-N 0 3 321.465 2.154 20 30 DEEDHN C[C@@H](NC(=O)CSc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000272735680 210141606 /nfs/dbraw/zinc/14/16/06/210141606.db2.gz MBZMXJUIFNQTSJ-CYBMUJFWSA-N 0 3 315.442 2.417 20 30 DEEDHN C#CCOc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000092098527 334961461 /nfs/dbraw/zinc/96/14/61/334961461.db2.gz RVMSBUUALYGYJQ-UHFFFAOYSA-N 0 3 310.401 2.202 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(C#N)c2)[C@@]12CCCO2 ZINC000272660203 210064463 /nfs/dbraw/zinc/06/44/63/210064463.db2.gz HSXXZEZPUSJHHV-KSZLIROESA-N 0 3 316.401 2.383 20 30 DEEDHN C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C1=CCN(C)CC1 ZINC000272660178 210065955 /nfs/dbraw/zinc/06/59/55/210065955.db2.gz GRWHCHINWDFGKK-JTQLQIEISA-N 0 3 305.328 2.217 20 30 DEEDHN CN1CCN(c2ncccc2CN[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192747200 282971376 /nfs/dbraw/zinc/97/13/76/282971376.db2.gz GEKHSCNTVADCBW-WBVHZDCISA-N 0 3 313.449 2.005 20 30 DEEDHN C=C[C@@H](O)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000616478161 362868848 /nfs/dbraw/zinc/86/88/48/362868848.db2.gz MAFNVJBIVONZTD-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCC1([NH2+]Cc2nc3c(cnn3C)c(=O)[n-]2)CCCCC1 ZINC000625935133 365961282 /nfs/dbraw/zinc/96/12/82/365961282.db2.gz ODKXYHJIIVQRRT-UHFFFAOYSA-N 0 3 301.394 2.438 20 30 DEEDHN C=CCC1(NCc2nc3c(cnn3C)c(=O)[nH]2)CCCCC1 ZINC000625935133 365961291 /nfs/dbraw/zinc/96/12/91/365961291.db2.gz ODKXYHJIIVQRRT-UHFFFAOYSA-N 0 3 301.394 2.438 20 30 DEEDHN CC[C@@H](C)N(CCO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287187586 219368829 /nfs/dbraw/zinc/36/88/29/219368829.db2.gz CVSYPNCXQFDLHM-PBHICJAKSA-N 0 3 315.417 2.146 20 30 DEEDHN CC1(C)C(=O)N[C@H]1C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595504515 358467668 /nfs/dbraw/zinc/46/76/68/358467668.db2.gz FFSNUTZZAFSNRI-KRWDZBQOSA-N 0 3 311.429 2.337 20 30 DEEDHN COc1ccc(CNCCC(=O)N2CCCCC2)cc1C#N ZINC000174278679 198314765 /nfs/dbraw/zinc/31/47/65/198314765.db2.gz GEGXSHMCKBIYLV-UHFFFAOYSA-N 0 3 301.390 2.059 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1 ZINC000047011748 354301769 /nfs/dbraw/zinc/30/17/69/354301769.db2.gz UEHBJUNLCBDKLY-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN CCCNC(=O)[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000051042854 354378631 /nfs/dbraw/zinc/37/86/31/354378631.db2.gz OHSMRQAVULWLPA-INIZCTEOSA-N 0 3 315.417 2.175 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)NCCN1CCCCC1 ZINC000050091612 354366809 /nfs/dbraw/zinc/36/68/09/354366809.db2.gz QNCBTMHJJQZVFL-UHFFFAOYSA-N 0 3 302.378 2.174 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000050107569 354367894 /nfs/dbraw/zinc/36/78/94/354367894.db2.gz ZTOJIZLPDDOJSP-UHFFFAOYSA-N 0 3 314.389 2.315 20 30 DEEDHN CCN1CCN(Cc2ccc(NC(=O)C(C)(C)C#N)cc2)CC1 ZINC000057250076 354563943 /nfs/dbraw/zinc/56/39/43/354563943.db2.gz KZVVNAIYNKXNTP-UHFFFAOYSA-N 0 3 314.433 2.312 20 30 DEEDHN CN(CCNC(=O)CSCc1ccc(C#N)cc1)C1CC1 ZINC000063116749 354639351 /nfs/dbraw/zinc/63/93/51/354639351.db2.gz HMNCFSYGVMWCPH-UHFFFAOYSA-N 0 3 303.431 2.002 20 30 DEEDHN CN(C)CCN(CCCc1ccccc1)C(=O)CSCC#N ZINC000066946161 354740946 /nfs/dbraw/zinc/74/09/46/354740946.db2.gz FXZZQANWTYHFNZ-UHFFFAOYSA-N 0 3 319.474 2.266 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CN(C)C ZINC000066948566 354741387 /nfs/dbraw/zinc/74/13/87/354741387.db2.gz OCARRKAUWWWRQO-HOCLYGCPSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@@H](C)S1 ZINC000070383278 354884181 /nfs/dbraw/zinc/88/41/81/354884181.db2.gz SOHBYQVECDATJT-NFAWXSAZSA-N 0 3 306.431 2.124 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)N)cc1 ZINC000236808337 202020841 /nfs/dbraw/zinc/02/08/41/202020841.db2.gz PEWNJOPZYVPYFD-UHFFFAOYSA-N 0 3 301.390 2.177 20 30 DEEDHN C=CCN1CCC(NC(=O)CCn2ccnc2C(C)C)CC1 ZINC000073436487 354959031 /nfs/dbraw/zinc/95/90/31/354959031.db2.gz JSGXKLMROSIROK-UHFFFAOYSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C[C@H](C)CO)CC1 ZINC000074130019 355008912 /nfs/dbraw/zinc/00/89/12/355008912.db2.gz UPKXSCYZFQIIES-LSDHHAIUSA-N 0 3 311.470 2.123 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000083027251 355461356 /nfs/dbraw/zinc/46/13/56/355461356.db2.gz MAVBFBPWYROAES-HUUCEWRRSA-N 0 3 315.417 2.177 20 30 DEEDHN CC(=O)NC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092669535 355645251 /nfs/dbraw/zinc/64/52/51/355645251.db2.gz DZYVBRSCCRNDOA-UHFFFAOYSA-N 0 3 315.417 2.470 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000182067661 356108456 /nfs/dbraw/zinc/10/84/56/356108456.db2.gz HERGCVSCMCSVMU-INIZCTEOSA-N 0 3 315.417 2.481 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000182843743 356148631 /nfs/dbraw/zinc/14/86/31/356148631.db2.gz ZGMNOZXNBKQIOC-CYBMUJFWSA-N 0 3 306.385 2.059 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185791771 356211667 /nfs/dbraw/zinc/21/16/67/356211667.db2.gz YAAPVPCZOYKFBC-PBHICJAKSA-N 0 3 314.433 2.356 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000193807609 356230430 /nfs/dbraw/zinc/23/04/30/356230430.db2.gz AVEFBDDCJJRJPY-QGZVFWFLSA-N 0 3 320.396 2.205 20 30 DEEDHN C[C@H](C#N)CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000183839705 356181177 /nfs/dbraw/zinc/18/11/77/356181177.db2.gz IOGWOJDYZOUSKS-OAHLLOKOSA-N 0 3 300.450 2.466 20 30 DEEDHN C=CCc1cc(CN2C[C@@H](C)[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000280226845 356364105 /nfs/dbraw/zinc/36/41/05/356364105.db2.gz JMTJIGFHJTYSPL-IUODEOHRSA-N 0 3 319.401 2.370 20 30 DEEDHN COc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000321682107 356450523 /nfs/dbraw/zinc/45/05/23/356450523.db2.gz WQKAMFZRRCZXRT-INIZCTEOSA-N 0 3 312.369 2.096 20 30 DEEDHN C=C[C@H](C(=O)OC)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000323392860 356456443 /nfs/dbraw/zinc/45/64/43/356456443.db2.gz LBIOJPAQHSVTRN-DOTOQJQBSA-N 0 3 302.418 2.168 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCC(=O)NCC(F)F ZINC000360918007 283191775 /nfs/dbraw/zinc/19/17/75/283191775.db2.gz HPDADLKBGSZZRP-CQSZACIVSA-N 0 3 307.344 2.297 20 30 DEEDHN COCC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000618561972 363528563 /nfs/dbraw/zinc/52/85/63/363528563.db2.gz MCHNLMAYMNHOPM-UKRRQHHQSA-N 0 3 301.390 2.443 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(CCF)c2)CC1 ZINC000626794559 366325684 /nfs/dbraw/zinc/32/56/84/366325684.db2.gz PFOOXKONMGTWLJ-UHFFFAOYSA-N 0 3 309.389 2.015 20 30 DEEDHN N#Cc1ccccc1OCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347309588 283216832 /nfs/dbraw/zinc/21/68/32/283216832.db2.gz KBMFBGNJFMTILJ-INIZCTEOSA-N 0 3 313.401 2.070 20 30 DEEDHN C=CCN(CCC(=O)NC(=O)Nc1ccccc1)[C@H](C)COC ZINC000595647875 358511914 /nfs/dbraw/zinc/51/19/14/358511914.db2.gz RBSSECOXPUPXKJ-CQSZACIVSA-N 0 3 319.405 2.248 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000585726608 357348935 /nfs/dbraw/zinc/34/89/35/357348935.db2.gz RIPLRCUJIJETJM-INMHGKMJSA-N 0 3 318.442 2.491 20 30 DEEDHN N#Cc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nn1 ZINC000588072471 357392210 /nfs/dbraw/zinc/39/22/10/357392210.db2.gz DXWFCQSWYVVQOF-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN Cc1cc(N[C@H](CO)CN(C)C)n2c3ccccc3nc2c1C#N ZINC000589101432 357442807 /nfs/dbraw/zinc/44/28/07/357442807.db2.gz DHQYEDZMVGHFDX-ZDUSSCGKSA-N 0 3 323.400 2.002 20 30 DEEDHN N#CC1(CCN2CCN([C@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000591013106 357660131 /nfs/dbraw/zinc/66/01/31/357660131.db2.gz QUZFQYRKYKHHRV-IRXDYDNUSA-N 0 3 305.466 2.382 20 30 DEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@](F)(C#N)C2)cc1 ZINC000591359311 357714589 /nfs/dbraw/zinc/71/45/89/357714589.db2.gz PMRYNRWGARECAO-DOTOQJQBSA-N 0 3 318.396 2.457 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591867725 357773158 /nfs/dbraw/zinc/77/31/58/357773158.db2.gz RWPJDGGGALJRIF-JKSUJKDBSA-N 0 3 302.422 2.109 20 30 DEEDHN Cc1cccc(C)c1NC(=O)CCCN1CC[C@](O)(CC#N)C1 ZINC000592147454 357839877 /nfs/dbraw/zinc/83/98/77/357839877.db2.gz MBBJOSVCOUKOIL-GOSISDBHSA-N 0 3 315.417 2.373 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000179371603 199023486 /nfs/dbraw/zinc/02/34/86/199023486.db2.gz PGIHDMKQCCSMGO-MRXNPFEDSA-N 0 3 301.386 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H](C)O2)CC1 ZINC000660598364 540310024 /nfs/dbraw/zinc/31/00/24/540310024.db2.gz XMFZCSBHVJKNBL-GDBMZVCRSA-N 0 3 309.454 2.284 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(OC)cc1 ZINC000662078354 540325977 /nfs/dbraw/zinc/32/59/77/540325977.db2.gz AXNQTAQBIOWZOE-IYBDPMFKSA-N 0 3 300.402 2.494 20 30 DEEDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000179615254 199064915 /nfs/dbraw/zinc/06/49/15/199064915.db2.gz YWPIIXOZTXBNGA-HNNXBMFYSA-N 0 3 317.433 2.122 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1C1CC1 ZINC000593131767 358018069 /nfs/dbraw/zinc/01/80/69/358018069.db2.gz VPEMLIUWZFOFDR-LSDHHAIUSA-N 0 3 302.349 2.328 20 30 DEEDHN C[C@@H](COCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593332056 358056708 /nfs/dbraw/zinc/05/67/08/358056708.db2.gz KQAFQICDWGGAJT-GUYCJALGSA-N 0 3 311.385 2.172 20 30 DEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000593426427 358075288 /nfs/dbraw/zinc/07/52/88/358075288.db2.gz JFRHNICRQCSLTL-GFCCVEGCSA-N 0 3 309.360 2.405 20 30 DEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000593614992 358112154 /nfs/dbraw/zinc/11/21/54/358112154.db2.gz JUJQEMLMCCJSGY-ZANVPECISA-N 0 3 324.764 2.229 20 30 DEEDHN CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1ccc(OC)c(F)c1 ZINC000593617446 358112188 /nfs/dbraw/zinc/11/21/88/358112188.db2.gz MAWDTAHQVACOJF-HZMBPMFUSA-N 0 3 322.336 2.104 20 30 DEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000593557508 358102371 /nfs/dbraw/zinc/10/23/71/358102371.db2.gz DALZXBSMLKOMNZ-UFBFGSQYSA-N 0 3 312.728 2.359 20 30 DEEDHN CCC(C#N)C(=O)N[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000593634944 358115346 /nfs/dbraw/zinc/11/53/46/358115346.db2.gz FYXSPMMRDTXJAZ-YVEFUNNKSA-N 0 3 318.373 2.139 20 30 DEEDHN CCNC(=O)c1ccc(C)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594430163 358268171 /nfs/dbraw/zinc/26/81/71/358268171.db2.gz ZNPRMSVFDBBPFP-CQSZACIVSA-N 0 3 316.405 2.095 20 30 DEEDHN C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)N(C)C1CC1 ZINC000618810720 363609155 /nfs/dbraw/zinc/60/91/55/363609155.db2.gz DZMQZRVWUQBLTM-SJCJKPOMSA-N 0 3 312.417 2.327 20 30 DEEDHN N#Cc1ccc(N2CCC(N[C@H]3CCCn4nccc43)CC2)nc1 ZINC000595043833 358382989 /nfs/dbraw/zinc/38/29/89/358382989.db2.gz WFKVBQVPSPUPCO-INIZCTEOSA-N 0 3 322.416 2.243 20 30 DEEDHN CCO[C@@H]1C[C@H](O)C12CCN(CCc1ccc(C#N)cc1)CC2 ZINC000595333749 358424036 /nfs/dbraw/zinc/42/40/36/358424036.db2.gz SZUILTWOAIBURJ-ZWKOTPCHSA-N 0 3 314.429 2.353 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000595808150 358553313 /nfs/dbraw/zinc/55/33/13/358553313.db2.gz UAHFLHLOSBJQIW-RDJZCZTQSA-N 0 3 312.417 2.329 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2)CCOCC1 ZINC000595879350 358570429 /nfs/dbraw/zinc/57/04/29/358570429.db2.gz ZZUZZXBHQGRBFE-UHFFFAOYSA-N 0 3 302.374 2.150 20 30 DEEDHN CN(CCC(=O)Nc1ccccc1C#N)CC1=CCSC1 ZINC000595887108 358572421 /nfs/dbraw/zinc/57/24/21/358572421.db2.gz ATAANOPPQMUUEB-UHFFFAOYSA-N 0 3 301.415 2.492 20 30 DEEDHN Cn1cc(CNCCOCCF)c(-c2ccc(C#N)cc2)n1 ZINC000596057565 358600402 /nfs/dbraw/zinc/60/04/02/358600402.db2.gz UKAQDFAPESZRSN-UHFFFAOYSA-N 0 3 302.353 2.034 20 30 DEEDHN COc1ccc2ncc(C#N)c(N[C@@H]3CCN(C4CC4)C3)c2c1 ZINC000596091070 358608592 /nfs/dbraw/zinc/60/85/92/358608592.db2.gz GYEWFGOJPCXKGF-CYBMUJFWSA-N 0 3 308.385 2.186 20 30 DEEDHN COC(=O)[C@H]1C[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000597245227 358867735 /nfs/dbraw/zinc/86/77/35/358867735.db2.gz XWYSYQSKILFRDZ-SHTZXODSSA-N 0 3 302.374 2.410 20 30 DEEDHN C[C@@H]1CN(CCCNC(=O)CC2(C#N)CCCCC2)CCCO1 ZINC000597571241 358952342 /nfs/dbraw/zinc/95/23/42/358952342.db2.gz JDJSLERGULASPA-MRXNPFEDSA-N 0 3 321.465 2.468 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000597942677 359047887 /nfs/dbraw/zinc/04/78/87/359047887.db2.gz XRGRHKQSDSPUNX-ZJPYXAASSA-N 0 3 312.413 2.378 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCc2cc(NC(=O)[C@H](C)C#N)ccc21 ZINC000598323430 359161561 /nfs/dbraw/zinc/16/15/61/359161561.db2.gz RKAINPMVVGRHHR-UEKVPHQBSA-N 0 3 310.357 2.048 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598603951 359259299 /nfs/dbraw/zinc/25/92/99/359259299.db2.gz IFFOHVXJLLRZIH-ZIAGYGMSSA-N 0 3 310.438 2.341 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CCN1 ZINC000598572114 359246128 /nfs/dbraw/zinc/24/61/28/359246128.db2.gz LCLIBVBBKLQDMV-HNNXBMFYSA-N 0 3 310.401 2.235 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(CC(=O)N2CCCC2)CC1 ZINC000598590233 359253126 /nfs/dbraw/zinc/25/31/26/359253126.db2.gz SHWYTGXSHNNPLV-INIZCTEOSA-N 0 3 321.465 2.012 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598591509 359253714 /nfs/dbraw/zinc/25/37/14/359253714.db2.gz BTEOYVXKJLYZNZ-WMZOPIPTSA-N 0 3 315.461 2.493 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNC[C@@H](c1ccco1)N1CCCC1 ZINC000598703389 359297970 /nfs/dbraw/zinc/29/79/70/359297970.db2.gz HDQJPDYCYYCSPK-GJZGRUSLSA-N 0 3 305.422 2.307 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(C(F)(F)F)n1 ZINC000598728492 359307537 /nfs/dbraw/zinc/30/75/37/359307537.db2.gz TWPUTQWUMOUYFW-LLVKDONJSA-N 0 3 301.312 2.491 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1cccnc1)C(C)(C)CO ZINC000598620095 359262414 /nfs/dbraw/zinc/26/24/14/359262414.db2.gz YHQHQVBYBGSFDI-LSDHHAIUSA-N 0 3 305.422 2.032 20 30 DEEDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1CO ZINC000598647961 359273999 /nfs/dbraw/zinc/27/39/99/359273999.db2.gz QJNBMHFNNZEWJY-RDTXWAMCSA-N 0 3 324.428 2.409 20 30 DEEDHN COCC[C@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000428653194 237216230 /nfs/dbraw/zinc/21/62/30/237216230.db2.gz VSKPEMXDTFTOID-SJORKVTESA-N 0 3 316.401 2.023 20 30 DEEDHN CCc1cnccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600738122 359816750 /nfs/dbraw/zinc/81/67/50/359816750.db2.gz YJXZWOQODFYJHD-QGZVFWFLSA-N 0 3 311.385 2.045 20 30 DEEDHN CN(C)Cc1cccc(NCC(=O)NCc2cccc(C#N)c2)c1 ZINC000601932166 360196244 /nfs/dbraw/zinc/19/62/44/360196244.db2.gz KDXZELDXYCBBTA-UHFFFAOYSA-N 0 3 322.412 2.348 20 30 DEEDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(Cl)cc1C#N ZINC000189416619 200397409 /nfs/dbraw/zinc/39/74/09/200397409.db2.gz NKZRECSLSBERBK-ZDUSSCGKSA-N 0 3 321.852 2.489 20 30 DEEDHN CO[C@](C)(CN1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000602432824 360370071 /nfs/dbraw/zinc/37/00/71/360370071.db2.gz JAIVQAQHASMARF-LJQANCHMSA-N 0 3 313.445 2.491 20 30 DEEDHN Cc1ccc(S(=O)(=O)NCCN(C)C[C@@H](C)CCC#N)cc1 ZINC000602474248 360393070 /nfs/dbraw/zinc/39/30/70/360393070.db2.gz FAIFUJVGKBOSBH-HNNXBMFYSA-N 0 3 323.462 2.145 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000602572087 360438616 /nfs/dbraw/zinc/43/86/16/360438616.db2.gz JWPNGYUWVUTQHY-SECBINFHSA-N 0 3 305.325 2.404 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCC(=O)N(C)C1CCCCC1 ZINC000602565105 360435586 /nfs/dbraw/zinc/43/55/86/360435586.db2.gz PQBLLWUMNDBNFH-HNNXBMFYSA-N 0 3 321.465 2.466 20 30 DEEDHN CN(CC(C)(C)C#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602830228 360577436 /nfs/dbraw/zinc/57/74/36/360577436.db2.gz AWMXPPPKGQSGOA-SFHVURJKSA-N 0 3 301.434 2.105 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000668988271 540763093 /nfs/dbraw/zinc/76/30/93/540763093.db2.gz UAOSMAZXTWXLOC-IEZWGBDMSA-N 0 3 316.445 2.435 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2ccc(C#N)c(C)c2)cc1 ZINC000443959802 238131105 /nfs/dbraw/zinc/13/11/05/238131105.db2.gz FHKFXDUZCCFPAN-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN CC(C)[C@H](N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603231978 360757577 /nfs/dbraw/zinc/75/75/77/360757577.db2.gz DLXGEROWNOJRQG-AWEZNQCLSA-N 0 3 321.331 2.455 20 30 DEEDHN CN(CCCCN1CCCCC1)S(=O)(=O)CCCCC#N ZINC000603418259 360826303 /nfs/dbraw/zinc/82/63/03/360826303.db2.gz WYTRAVYFVCBSDS-UHFFFAOYSA-N 0 3 315.483 2.208 20 30 DEEDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271987998 209361922 /nfs/dbraw/zinc/36/19/22/209361922.db2.gz YPTCXOJDFODOEK-FZMZJTMJSA-N 0 3 304.369 2.152 20 30 DEEDHN COC(=O)C[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000604304861 360895787 /nfs/dbraw/zinc/89/57/87/360895787.db2.gz HXXBDAQPRIFOKV-OAHLLOKOSA-N 0 3 302.374 2.355 20 30 DEEDHN COc1cc2c(cc1CNC1CCN(CC#N)CC1)O[C@H](C)C2 ZINC000609335068 361302734 /nfs/dbraw/zinc/30/27/34/361302734.db2.gz SEJRTWWJMVYYLN-CYBMUJFWSA-N 0 3 315.417 2.096 20 30 DEEDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609826521 361340607 /nfs/dbraw/zinc/34/06/07/361340607.db2.gz FJQAHQDXUNORGU-IJEWVQPXSA-N 0 3 320.458 2.318 20 30 DEEDHN C[C@@H]1CN(c2ccc(C#N)nn2)[C@H](C)CN1Cc1ccccc1 ZINC000611242734 361559739 /nfs/dbraw/zinc/55/97/39/361559739.db2.gz SLQHQXDGEOYSAA-HUUCEWRRSA-N 0 3 307.401 2.447 20 30 DEEDHN CC(C)[C@H](NCCOc1ccccc1C#N)C(=O)N1CCCC1 ZINC000611395558 361591194 /nfs/dbraw/zinc/59/11/94/361591194.db2.gz OJSSICHUZZZZAE-KRWDZBQOSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C[C@H](CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673513695 541116721 /nfs/dbraw/zinc/11/67/21/541116721.db2.gz OFDKYVOVRBBPMK-BPQIPLTHSA-N 0 3 314.429 2.014 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCOC)C2CCCC2)CC1 ZINC000674153983 541188965 /nfs/dbraw/zinc/18/89/65/541188965.db2.gz LPQPZCLVVGNBKW-UHFFFAOYSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C[C@H](Nc1cccc(N2CCN(C(C)C)CC2)c1)C(=O)OC ZINC000619703331 363861095 /nfs/dbraw/zinc/86/10/95/363861095.db2.gz JNGUZBCDUJCUQZ-KRWDZBQOSA-N 0 3 317.433 2.357 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000091442744 193056440 /nfs/dbraw/zinc/05/64/40/193056440.db2.gz OLHQSJIHZOWATB-UHFFFAOYSA-N 0 3 324.428 2.467 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000092070540 193151955 /nfs/dbraw/zinc/15/19/55/193151955.db2.gz FKOAIWPCFWZPOK-INIZCTEOSA-N 0 3 310.401 2.202 20 30 DEEDHN CS[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@H]1N(C)C ZINC000271769996 209197823 /nfs/dbraw/zinc/19/78/23/209197823.db2.gz INPNBRMXTPWKHI-USQNJUIBSA-N 0 3 315.442 2.075 20 30 DEEDHN C=CCN(Cc1ccccc1F)S(=O)(=O)CCCN(C)C ZINC000631782674 368385269 /nfs/dbraw/zinc/38/52/69/368385269.db2.gz UOGGVKPJDGAUNK-UHFFFAOYSA-N 0 3 314.426 2.095 20 30 DEEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H](C)N1CCO ZINC000451651696 243265846 /nfs/dbraw/zinc/26/58/46/243265846.db2.gz IBGFKFHUTZQSKN-GASCZTMLSA-N 0 3 306.837 2.078 20 30 DEEDHN C=CC[C@@H](C(=O)N1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000275151752 212153230 /nfs/dbraw/zinc/15/32/30/212153230.db2.gz PQKDZOHZOVFJHU-GOSISDBHSA-N 0 3 315.461 2.052 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1 ZINC000093813819 193311426 /nfs/dbraw/zinc/31/14/26/193311426.db2.gz TXRHQNWDOXPALL-SFHVURJKSA-N 0 3 301.386 2.474 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453412525 245120794 /nfs/dbraw/zinc/12/07/94/245120794.db2.gz IFVUQHWQTFTHIB-LSDHHAIUSA-N 0 3 319.453 2.235 20 30 DEEDHN C=CCNC(=O)c1ccc(NCCN2CCC(C)CC2)nc1 ZINC000264895041 204246667 /nfs/dbraw/zinc/24/66/67/204246667.db2.gz UOKWXYNQLAIGHF-UHFFFAOYSA-N 0 3 302.422 2.141 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000266447881 205354337 /nfs/dbraw/zinc/35/43/37/205354337.db2.gz QJUFRYRNWIFVQR-INIZCTEOSA-N 0 3 311.385 2.177 20 30 DEEDHN N#Cc1nc(N2CCC(CN3CCOCC3)CC2)ccc1Cl ZINC000267200713 205889884 /nfs/dbraw/zinc/88/98/84/205889884.db2.gz JJJGMRKLMSPUTI-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC000455043590 246347604 /nfs/dbraw/zinc/34/76/04/246347604.db2.gz KQJINSHSDNKBKT-WBVHZDCISA-N 0 3 315.417 2.097 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)/C=C/CN(C)C)cc1 ZINC000491873538 248970900 /nfs/dbraw/zinc/97/09/00/248970900.db2.gz USSNWXJDIMEROL-AATRIKPKSA-N 0 3 302.378 2.050 20 30 DEEDHN N#CCC[C@@H](C#N)CNCCCNC(=O)/C=C/c1ccccc1 ZINC000492811207 249145449 /nfs/dbraw/zinc/14/54/49/249145449.db2.gz SUKPKPDUMOIOAX-FVNWOWOISA-N 0 3 310.401 2.239 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000274076854 211334558 /nfs/dbraw/zinc/33/45/58/211334558.db2.gz GKNQHUIIRDLXJZ-KRWDZBQOSA-N 0 3 311.429 2.458 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cccc(C#N)n3)CC2)C[C@@H](C)O1 ZINC000270048736 208105156 /nfs/dbraw/zinc/10/51/56/208105156.db2.gz LQPUYTZSARNIDQ-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)NCCSCc1ccccc1C#N ZINC000288716045 220366784 /nfs/dbraw/zinc/36/67/84/220366784.db2.gz AQWOHZNHDVMPCV-ZDUSSCGKSA-N 0 3 320.462 2.041 20 30 DEEDHN C[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000330782291 533104519 /nfs/dbraw/zinc/10/45/19/533104519.db2.gz YYRXZCPRBXVTEG-CYBMUJFWSA-N 0 3 315.417 2.343 20 30 DEEDHN CO/N=C/C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000289537304 533116196 /nfs/dbraw/zinc/11/61/96/533116196.db2.gz QFXBABZTEFKOFD-SFQUDFHCSA-N 0 3 305.378 2.040 20 30 DEEDHN COC[C@H]1CCCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000369947261 533125349 /nfs/dbraw/zinc/12/53/49/533125349.db2.gz FQMMBPVSNXXNMT-HNNXBMFYSA-N 0 3 307.438 2.078 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CC)[C@H](CC)Cc1ccccc1 ZINC000120552178 195188990 /nfs/dbraw/zinc/18/89/90/195188990.db2.gz VEKCOGOVGSBMAV-MRXNPFEDSA-N 0 3 317.433 2.341 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccc(C#N)cc1 ZINC000120650235 195208256 /nfs/dbraw/zinc/20/82/56/195208256.db2.gz JZSPSPRTEJEEOT-CJNGLKHVSA-N 0 3 317.458 2.449 20 30 DEEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)cc(N2CCCC2)n1 ZINC000289876521 221285078 /nfs/dbraw/zinc/28/50/78/221285078.db2.gz RNYURKIDRHNELI-UHFFFAOYSA-N 0 3 309.417 2.490 20 30 DEEDHN C[C@H](CC#N)N(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000444396684 533596510 /nfs/dbraw/zinc/59/65/10/533596510.db2.gz OFRDSTDKIUEWEK-CYBMUJFWSA-N 0 3 304.394 2.393 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)CN1CCCC1 ZINC000684808482 542667260 /nfs/dbraw/zinc/66/72/60/542667260.db2.gz VNSCVNPLPRXBAB-XHSDSOJGSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000685844720 542759898 /nfs/dbraw/zinc/75/98/98/542759898.db2.gz HKTMVDSYHHKTLF-KRWDZBQOSA-N 0 3 308.466 2.476 20 30 DEEDHN CSC1(CNC(=O)c2sccc2C#N)CCN(C)CC1 ZINC000355462449 133028306 /nfs/dbraw/zinc/02/83/06/133028306.db2.gz AYWVHKMZXOERPW-UHFFFAOYSA-N 0 3 309.460 2.177 20 30 DEEDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000362714336 133247500 /nfs/dbraw/zinc/24/75/00/133247500.db2.gz DMVSHGKASHUWQN-RRQGHBQHSA-N 0 3 304.390 2.029 20 30 DEEDHN COc1cc(CN[C@@H]2COc3ccccc3[C@@H]2O)ccc1C#N ZINC000377400865 133328515 /nfs/dbraw/zinc/32/85/15/133328515.db2.gz HLVWTNOJXBMFSR-QAPCUYQASA-N 0 3 310.353 2.151 20 30 DEEDHN COc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1C#N ZINC000373158190 133380057 /nfs/dbraw/zinc/38/00/57/133380057.db2.gz GINHKRWIEVLHBA-UHFFFAOYSA-N 0 3 313.401 2.011 20 30 DEEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000344972154 404478446 /nfs/dbraw/zinc/47/84/46/404478446.db2.gz NLKQQACLMOVOLI-UHFFFAOYSA-N 0 3 315.373 2.488 20 30 DEEDHN N#Cc1cncnc1N1CCCN(CCCc2ccccc2)CC1 ZINC000564892428 292118573 /nfs/dbraw/zinc/11/85/73/292118573.db2.gz KJHGRMWPOBPLQK-UHFFFAOYSA-N 0 3 321.428 2.493 20 30 DEEDHN Cc1ccncc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000358444814 147135382 /nfs/dbraw/zinc/13/53/82/147135382.db2.gz AQPQWCXICIVARR-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCc2cc(F)cc(F)c2)cc1 ZINC000565433309 292161984 /nfs/dbraw/zinc/16/19/84/292161984.db2.gz CWTCSHFZLZZQIZ-MRXNPFEDSA-N 0 3 318.323 2.366 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)CC)C2)cc1 ZINC000126472469 401695404 /nfs/dbraw/zinc/69/54/04/401695404.db2.gz XVNUZIDDVIRZED-GDBMZVCRSA-N 0 3 300.402 2.360 20 30 DEEDHN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1[O-] ZINC000112821133 401758835 /nfs/dbraw/zinc/75/88/35/401758835.db2.gz XIPIZDWGVRKZOA-UHFFFAOYSA-N 0 3 323.396 2.468 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cnn(C)c1)C(C)C ZINC000076061717 401779885 /nfs/dbraw/zinc/77/98/85/401779885.db2.gz DLMNXUYUXLLJLN-OAHLLOKOSA-N 0 3 305.426 2.240 20 30 DEEDHN CN(C)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115727305 401835954 /nfs/dbraw/zinc/83/59/54/401835954.db2.gz QHYFHTJMDKMHMV-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN COC(=O)CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000116394915 401851663 /nfs/dbraw/zinc/85/16/63/401851663.db2.gz NFVBUKMIXBDCCR-UHFFFAOYSA-N 0 3 302.374 2.355 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCSC2(CCCCC2)C1 ZINC000079503666 401874631 /nfs/dbraw/zinc/87/46/31/401874631.db2.gz FQXIELODXRQBIX-CQSZACIVSA-N 0 3 309.479 2.499 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000119490030 401954392 /nfs/dbraw/zinc/95/43/92/401954392.db2.gz UFHTWSFVORRQQX-QGZVFWFLSA-N 0 3 312.413 2.399 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc(C#N)cc2)C1 ZINC000046045021 401965154 /nfs/dbraw/zinc/96/51/54/401965154.db2.gz LAKZUXRIGRTWEO-AWEZNQCLSA-N 0 3 300.406 2.089 20 30 DEEDHN CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)[nH]2)N(C)C)cc1 ZINC000152291203 402086881 /nfs/dbraw/zinc/08/68/81/402086881.db2.gz UCROGFVOONBAEQ-QGZVFWFLSA-N 0 3 310.401 2.481 20 30 DEEDHN C#CCOc1ccccc1CNCCCOC[C@@H]1CCCO1 ZINC000061743656 402107979 /nfs/dbraw/zinc/10/79/79/402107979.db2.gz CFDQTRQEIURVJD-KRWDZBQOSA-N 0 3 303.402 2.374 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN(C)C1CC1 ZINC000066923909 402146910 /nfs/dbraw/zinc/14/69/10/402146910.db2.gz VVUBQKDQMYCYDN-KRWDZBQOSA-N 0 3 315.417 2.172 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1CCO ZINC000068046637 402182831 /nfs/dbraw/zinc/18/28/31/402182831.db2.gz FSESYQQQBZYLFR-MSOLQXFVSA-N 0 3 319.445 2.392 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCc2cccc(F)c2)CC1 ZINC000068176737 402186471 /nfs/dbraw/zinc/18/64/71/402186471.db2.gz VEVROCLTXFIKPV-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C[C@@H](CNC(=O)NCC#Cc1ccccc1)N1CCC(C)CC1 ZINC000067705991 402169225 /nfs/dbraw/zinc/16/92/25/402169225.db2.gz MJTYMGQQXCCHBC-KRWDZBQOSA-N 0 3 313.445 2.458 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104700678 402204565 /nfs/dbraw/zinc/20/45/65/402204565.db2.gz OJTWSBPXYXFMJA-INIZCTEOSA-N 0 3 301.390 2.129 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(Cl)cn2C)CC1 ZINC000176598756 402322327 /nfs/dbraw/zinc/32/23/27/402322327.db2.gz TWATXPPFGYQMEF-UHFFFAOYSA-N 0 3 324.856 2.470 20 30 DEEDHN COCCCON=C(N)c1ccccc1CN1CCCCC1 ZINC000157202515 402292924 /nfs/dbraw/zinc/29/29/24/402292924.db2.gz CBQRZWQQKCCZOF-UHFFFAOYSA-N 0 3 305.422 2.346 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C#N)c1 ZINC000176392148 402305553 /nfs/dbraw/zinc/30/55/53/402305553.db2.gz OTKLEZCGIPJPOM-SJORKVTESA-N 0 3 312.417 2.326 20 30 DEEDHN C=CC1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000158512164 402307113 /nfs/dbraw/zinc/30/71/13/402307113.db2.gz CLZWFYNXUMHTJF-GOSISDBHSA-N 0 3 315.461 2.304 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(/C=N/OC)cc1 ZINC000176549410 402318931 /nfs/dbraw/zinc/31/89/31/402318931.db2.gz NRUGRIDNHWNLLS-AKLVUOHOSA-N 0 3 315.417 2.366 20 30 DEEDHN Cc1ccoc1C(=O)NCCCNCc1ccc(C#N)s1 ZINC000176973461 402355779 /nfs/dbraw/zinc/35/57/79/402355779.db2.gz XUSVKTHGYVJPCD-UHFFFAOYSA-N 0 3 303.387 2.431 20 30 DEEDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185856568 402383561 /nfs/dbraw/zinc/38/35/61/402383561.db2.gz NMJMHUAJBPLGEY-XJKSGUPXSA-N 0 3 306.431 2.403 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000186370459 402425725 /nfs/dbraw/zinc/42/57/25/402425725.db2.gz VAMJFBRZONAZAJ-VYDXJSESSA-N 0 3 309.454 2.224 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185925674 402389753 /nfs/dbraw/zinc/38/97/53/402389753.db2.gz RFRZGYOXMRQFHU-JKSUJKDBSA-N 0 3 310.486 2.056 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)CC1 ZINC000186672022 402453226 /nfs/dbraw/zinc/45/32/26/402453226.db2.gz OZSYQLJBUFOUBJ-UHFFFAOYSA-N 0 3 314.414 2.135 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1(CO)CCCC1)C(C)C ZINC000178097638 402460702 /nfs/dbraw/zinc/46/07/02/402460702.db2.gz VRAZQPNKZCPFHV-MRXNPFEDSA-N 0 3 323.481 2.289 20 30 DEEDHN C=CCN1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000178887686 402550840 /nfs/dbraw/zinc/55/08/40/402550840.db2.gz DEGRDXODAPVFOT-CQSZACIVSA-N 0 3 321.446 2.375 20 30 DEEDHN N#CCCCCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179222198 402582296 /nfs/dbraw/zinc/58/22/96/402582296.db2.gz LFTXBFAUKHSXSS-GFCCVEGCSA-N 0 3 310.195 2.259 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000171716901 402613708 /nfs/dbraw/zinc/61/37/08/402613708.db2.gz DLYLIUGKZFKFAL-KRWDZBQOSA-N 0 3 301.434 2.056 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000171717266 402613801 /nfs/dbraw/zinc/61/38/01/402613801.db2.gz OUBOTQSAKGZDFS-UHFFFAOYSA-N 0 3 303.362 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)CC1 ZINC000171718224 402614326 /nfs/dbraw/zinc/61/43/26/402614326.db2.gz QLHNHIBYLOMVQS-UHFFFAOYSA-N 0 3 314.389 2.358 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000171725949 402615036 /nfs/dbraw/zinc/61/50/36/402615036.db2.gz ODWGBIOOIYGIIU-VOTSOKGWSA-N 0 3 315.373 2.375 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000171725743 402615111 /nfs/dbraw/zinc/61/51/11/402615111.db2.gz VMVUQSCTOZOECM-UHFFFAOYSA-N 0 3 311.385 2.321 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000171737501 402616691 /nfs/dbraw/zinc/61/66/91/402616691.db2.gz QBHGSOKHLOYXEB-AWEZNQCLSA-N 0 3 316.405 2.420 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2OCCO3)CC1 ZINC000171739777 402617062 /nfs/dbraw/zinc/61/70/62/402617062.db2.gz JCYHDFCCXVAPAQ-UHFFFAOYSA-N 0 3 317.389 2.230 20 30 DEEDHN CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1cccc(F)c1 ZINC000190669647 402617182 /nfs/dbraw/zinc/61/71/82/402617182.db2.gz RVTAHECHGSTYDH-KRWDZBQOSA-N 0 3 300.381 2.428 20 30 DEEDHN C=C(C)CN(C)C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000181274859 402639885 /nfs/dbraw/zinc/63/98/85/402639885.db2.gz JEJPZJAXGJPDMZ-OAHLLOKOSA-N 0 3 309.406 2.089 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(O)cc2SC)CC1 ZINC000191188563 402649055 /nfs/dbraw/zinc/64/90/55/402649055.db2.gz PFRATSLMGGPOJE-UHFFFAOYSA-N 0 3 304.415 2.398 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000181793137 402657183 /nfs/dbraw/zinc/65/71/83/402657183.db2.gz ZMWLTHKJTPQEDJ-KGLIPLIRSA-N 0 3 317.433 2.343 20 30 DEEDHN CN(CCNCc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000191284208 402657458 /nfs/dbraw/zinc/65/74/58/402657458.db2.gz ZSTOICYAKNAGMK-UHFFFAOYSA-N 0 3 300.381 2.257 20 30 DEEDHN N#Cc1ccccc1N1CCCN(Cc2ccnc(N)c2)CC1 ZINC000191477872 402673193 /nfs/dbraw/zinc/67/31/93/402673193.db2.gz FISCMQJGUNQKAD-UHFFFAOYSA-N 0 3 307.401 2.248 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc3c(c2)CCO3)CC1 ZINC000255384726 402685988 /nfs/dbraw/zinc/68/59/88/402685988.db2.gz GOTKZZWGPWRUET-XQRVVYSFSA-N 0 3 312.413 2.401 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000173198237 402688055 /nfs/dbraw/zinc/68/80/55/402688055.db2.gz CAGFSQFCIUKAJO-UHFFFAOYSA-N 0 3 316.380 2.147 20 30 DEEDHN CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000195518850 402850283 /nfs/dbraw/zinc/85/02/83/402850283.db2.gz AEFYREJFBYDHNR-UHFFFAOYSA-N 0 3 311.389 2.142 20 30 DEEDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000278266322 402862505 /nfs/dbraw/zinc/86/25/05/402862505.db2.gz OJKPCLMVAIGPLR-HZPDHXFCSA-N 0 3 306.431 2.403 20 30 DEEDHN CN(CCN1CCN(c2ccccc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000278709258 402870102 /nfs/dbraw/zinc/87/01/02/402870102.db2.gz UFFIWXZFKYLDQP-HKUYNNGSSA-N 0 3 312.461 2.433 20 30 DEEDHN N#CCCn1cc(CNC[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000278743202 402870204 /nfs/dbraw/zinc/87/02/04/402870204.db2.gz VRROKVAFTLBMAV-MRXNPFEDSA-N 0 3 311.389 2.127 20 30 DEEDHN CN1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000278870764 402880227 /nfs/dbraw/zinc/88/02/27/402880227.db2.gz BRQXAVMJSIUDBS-UHFFFAOYSA-N 0 3 310.357 2.037 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cn2cnc3ccccc32)CC1 ZINC000264517750 402885966 /nfs/dbraw/zinc/88/59/66/402885966.db2.gz VPYDWDSANYHBNY-UHFFFAOYSA-N 0 3 312.417 2.193 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000279588863 402958728 /nfs/dbraw/zinc/95/87/28/402958728.db2.gz RFFGZYRUPQLLMU-CJNGLKHVSA-N 0 3 311.385 2.266 20 30 DEEDHN C[C@H](NC(=O)Nc1ccc(F)cc1C#N)C1=CCN(C)CC1 ZINC000272775106 402960195 /nfs/dbraw/zinc/96/01/95/402960195.db2.gz YGXYCGNUVYLJCG-NSHDSACASA-N 0 3 302.353 2.469 20 30 DEEDHN N#CCCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000273009350 402962503 /nfs/dbraw/zinc/96/25/03/402962503.db2.gz ATRJGOWPJONGEF-UHFFFAOYSA-N 0 3 300.406 2.038 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000279147750 402909355 /nfs/dbraw/zinc/90/93/55/402909355.db2.gz DXTGDMQJHJLGNL-LJQANCHMSA-N 0 3 318.461 2.337 20 30 DEEDHN COCCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280124397 402967671 /nfs/dbraw/zinc/96/76/71/402967671.db2.gz UUNPMYRBAADBRF-INIZCTEOSA-N 0 3 313.401 2.419 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCCCC#N)CN1Cc1ccccc1 ZINC000273068262 402967747 /nfs/dbraw/zinc/96/77/47/402967747.db2.gz IXGFCRDWNBFXEY-ZBFHGGJFSA-N 0 3 300.406 2.252 20 30 DEEDHN CO[C@@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279346905 402933208 /nfs/dbraw/zinc/93/32/08/402933208.db2.gz FYCZYJFEJKFQAD-AEFFLSMTSA-N 0 3 311.385 2.268 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000279351480 402933545 /nfs/dbraw/zinc/93/35/45/402933545.db2.gz FHWDSHPYGJIFGI-APWZRJJASA-N 0 3 316.445 2.437 20 30 DEEDHN C[C@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280719492 403030216 /nfs/dbraw/zinc/03/02/16/403030216.db2.gz YAKCLSLITKGLRH-WMZOPIPTSA-N 0 3 311.385 2.004 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(O)CCCCC2)cc1 ZINC000280547692 403011639 /nfs/dbraw/zinc/01/16/39/403011639.db2.gz ZTROEVSVDDGLHS-INIZCTEOSA-N 0 3 311.385 2.052 20 30 DEEDHN CN(C)[C@]1(CNC(=O)/C=C/c2cccc(C#N)c2)CCSC1 ZINC000267198209 403024241 /nfs/dbraw/zinc/02/42/41/403024241.db2.gz DMDPODLYKNARQH-LXXRFIIISA-N 0 3 315.442 2.125 20 30 DEEDHN CC(=O)c1ccc(C#N)c(NCC2(N(C)C)CCOCC2)c1 ZINC000273157982 402978118 /nfs/dbraw/zinc/97/81/18/402978118.db2.gz AMDKRMSQGPTQHV-UHFFFAOYSA-N 0 3 301.390 2.284 20 30 DEEDHN CO[C@@]1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000280237169 402978344 /nfs/dbraw/zinc/97/83/44/402978344.db2.gz ARJHXOUAXDRWIA-SFHVURJKSA-N 0 3 315.417 2.065 20 30 DEEDHN N#CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000273195169 402981633 /nfs/dbraw/zinc/98/16/33/402981633.db2.gz RTFJZLRLOFVBFB-INIZCTEOSA-N 0 3 300.406 2.426 20 30 DEEDHN C#CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000274173992 403032247 /nfs/dbraw/zinc/03/22/47/403032247.db2.gz NZDNUQSKACXMNO-UHFFFAOYSA-N 0 3 301.346 2.329 20 30 DEEDHN C=CCC[C@@H](O)CN(CCC(=O)OCC)Cc1cccnc1 ZINC000274215334 403035920 /nfs/dbraw/zinc/03/59/20/403035920.db2.gz XSWYAYZTSIIROI-MRXNPFEDSA-N 0 3 306.406 2.164 20 30 DEEDHN C=CCOc1ccc(CN[C@](C)(CCO)COC)cc1OC ZINC000267322859 403036099 /nfs/dbraw/zinc/03/60/99/403036099.db2.gz FWJWTQUUJOXKKF-QGZVFWFLSA-N 0 3 309.406 2.137 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000268135304 403052906 /nfs/dbraw/zinc/05/29/06/403052906.db2.gz PKOOQPSFGUMFRC-IIYDPXPESA-N 0 3 312.417 2.401 20 30 DEEDHN CC(C)N1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280947140 403053029 /nfs/dbraw/zinc/05/30/29/403053029.db2.gz QCTIBMTXMUOLMW-GOSISDBHSA-N 0 3 324.428 2.183 20 30 DEEDHN Cc1cc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000280973746 403055850 /nfs/dbraw/zinc/05/58/50/403055850.db2.gz ZGLOLFCFRQNLGL-HNNXBMFYSA-N 0 3 308.341 2.196 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)NC1(CN(C)C)CCC1 ZINC000281360448 403066636 /nfs/dbraw/zinc/06/66/36/403066636.db2.gz MBFNNDHRVGQFNM-UHFFFAOYSA-N 0 3 319.380 2.444 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268252679 403066904 /nfs/dbraw/zinc/06/69/04/403066904.db2.gz QTQZMQHWJSPCBP-CZUORRHYSA-N 0 3 300.402 2.464 20 30 DEEDHN CCC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000281558811 403071094 /nfs/dbraw/zinc/07/10/94/403071094.db2.gz LQMDIOZIOBSGED-SJORKVTESA-N 0 3 311.385 2.268 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc3[nH]ccc3c2)CC1 ZINC000281751758 403088487 /nfs/dbraw/zinc/08/84/87/403088487.db2.gz JILYZIQBVBURPU-UHFFFAOYSA-N 0 3 309.413 2.172 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(OCC#N)cc2)C1(C)C ZINC000275472335 403102621 /nfs/dbraw/zinc/10/26/21/403102621.db2.gz CWIRLPJINQNUAE-AEFFLSMTSA-N 0 3 318.417 2.245 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000268592469 403097330 /nfs/dbraw/zinc/09/73/30/403097330.db2.gz VSWIJOHPLVAHIU-HNNXBMFYSA-N 0 3 308.447 2.223 20 30 DEEDHN N#CCOc1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000275054225 403099272 /nfs/dbraw/zinc/09/92/72/403099272.db2.gz MUTGQGAYBPQMFC-UHFFFAOYSA-N 0 3 311.389 2.093 20 30 DEEDHN COc1cc(CN2CCC[C@@H](C3OCCO3)C2)ccc1C#N ZINC000282161536 403128223 /nfs/dbraw/zinc/12/82/23/403128223.db2.gz DKVCWCCVUKRKDS-OAHLLOKOSA-N 0 3 302.374 2.152 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(OC)c(C#N)c1)CC2 ZINC000269729845 403161504 /nfs/dbraw/zinc/16/15/04/403161504.db2.gz XGPXMCNPRGVCIT-HNNXBMFYSA-N 0 3 314.385 2.342 20 30 DEEDHN CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269801224 403167043 /nfs/dbraw/zinc/16/70/43/403167043.db2.gz JQOZMIZDKTWUPW-MRXNPFEDSA-N 0 3 308.385 2.233 20 30 DEEDHN COc1cc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000282205428 403132480 /nfs/dbraw/zinc/13/24/80/403132480.db2.gz HDGIRBMZAQQRNK-GASCZTMLSA-N 0 3 317.433 2.108 20 30 DEEDHN CC(C)Oc1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1C#N ZINC000269359194 403133607 /nfs/dbraw/zinc/13/36/07/403133607.db2.gz BETXSZWJTGEGNS-GFCCVEGCSA-N 0 3 304.394 2.417 20 30 DEEDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(OCC#N)cc1 ZINC000284079433 403243633 /nfs/dbraw/zinc/24/36/33/403243633.db2.gz LIZUGRKZZDMDHM-KGLIPLIRSA-N 0 3 322.430 2.064 20 30 DEEDHN C#CCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000271025535 403255162 /nfs/dbraw/zinc/25/51/62/403255162.db2.gz VVCHZAPDHVNIQO-UONOGXRCSA-N 0 3 301.308 2.490 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)C1 ZINC000285101718 403278037 /nfs/dbraw/zinc/27/80/37/403278037.db2.gz KHDKTNVPIGVCGY-GDBMZVCRSA-N 0 3 322.430 2.034 20 30 DEEDHN C=CCN(CCc1ccccc1)C[C@@H](O)CO[C@H](C)COC ZINC000277999927 403278364 /nfs/dbraw/zinc/27/83/64/403278364.db2.gz AAZDONAPDBLPSM-SJLPKXTDSA-N 0 3 307.434 2.130 20 30 DEEDHN C=CCOc1ccc(CNCCn2cnc(C#N)n2)cc1Cl ZINC000285343486 403280777 /nfs/dbraw/zinc/28/07/77/403280777.db2.gz AEFZUSRZMOOLIF-UHFFFAOYSA-N 0 3 317.780 2.158 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(COC)s2)CC1 ZINC000285305459 403280830 /nfs/dbraw/zinc/28/08/30/403280830.db2.gz HQJMQYZUNJMUCD-UHFFFAOYSA-N 0 3 309.435 2.060 20 30 DEEDHN N#Cc1cccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285416601 403291350 /nfs/dbraw/zinc/29/13/50/403291350.db2.gz GGMDWMVFBFBLDD-KRWDZBQOSA-N 0 3 312.417 2.328 20 30 DEEDHN C[C@@H](c1ccccc1)[C@H](NCc1ccc(OCC#N)cc1)C(N)=O ZINC000292242836 403332401 /nfs/dbraw/zinc/33/24/01/403332401.db2.gz QIMAIWKBYAKSFO-KSSFIOAISA-N 0 3 323.396 2.336 20 30 DEEDHN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(CCOCCC#N)C2 ZINC000339157602 403370626 /nfs/dbraw/zinc/37/06/26/403370626.db2.gz LJQBVMYHNZBZQT-WMLDXEAASA-N 0 3 308.422 2.360 20 30 DEEDHN COC(=O)CCCN(CCOCCC#N)Cc1ccccc1 ZINC000292803750 403379101 /nfs/dbraw/zinc/37/91/01/403379101.db2.gz MNUGNQDPEUEPQO-UHFFFAOYSA-N 0 3 304.390 2.372 20 30 DEEDHN CN(C[C@H](O)Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000293245835 403425108 /nfs/dbraw/zinc/42/51/08/403425108.db2.gz HWVZFZPIQCPHPN-RTBURBONSA-N 0 3 310.397 2.127 20 30 DEEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccc(=O)[nH]n1 ZINC000285994799 403426530 /nfs/dbraw/zinc/42/65/30/403426530.db2.gz IFXBIOBVGLWCEV-GFCCVEGCSA-N 0 3 314.414 2.226 20 30 DEEDHN Cc1nsc(NC2CCN(C[C@H]3CCOC3)CC2)c1C#N ZINC000286027739 403433859 /nfs/dbraw/zinc/43/38/59/403433859.db2.gz AWEXPJXUKKIZLX-GFCCVEGCSA-N 0 3 306.435 2.236 20 30 DEEDHN N#CCCOCCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000293511888 403491171 /nfs/dbraw/zinc/49/11/71/403491171.db2.gz IDIBDRIICUFKMT-GOSISDBHSA-N 0 3 302.418 2.234 20 30 DEEDHN CCOc1ccnc(N2CCCN([C@H](C)CCC#N)CC2)n1 ZINC000298715460 403446100 /nfs/dbraw/zinc/44/61/00/403446100.db2.gz UIYHFKJRVQAVID-CQSZACIVSA-N 0 3 303.410 2.080 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)C(C)C#N)N1CCCCC1 ZINC000345761554 403473138 /nfs/dbraw/zinc/47/31/38/403473138.db2.gz LMBWYPZHVRPRBN-GOEBONIOSA-N 0 3 315.417 2.498 20 30 DEEDHN Oc1ccc(/C=N/[C@H]2CCN(Cc3ccccc3)C2)c(O)c1O ZINC000299257486 403555660 /nfs/dbraw/zinc/55/56/60/403555660.db2.gz DBUBCWWSYOPECR-RPJLVFAOSA-N 0 3 312.369 2.497 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC2(C)C)cc1 ZINC000286961513 403550760 /nfs/dbraw/zinc/55/07/60/403550760.db2.gz ATUYQELMYMLOQN-MFKMUULPSA-N 0 3 321.402 2.292 20 30 DEEDHN Cc1cc(C#N)nc(NCc2ccccc2OCCN(C)C)n1 ZINC000286393918 403516527 /nfs/dbraw/zinc/51/65/27/403516527.db2.gz TXXSIMIRMHZGCR-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN C#CCSCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000287372607 403585902 /nfs/dbraw/zinc/58/59/02/403585902.db2.gz IAMFKYNDFBKGGO-OAHLLOKOSA-N 0 3 323.437 2.094 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000346453856 403590632 /nfs/dbraw/zinc/59/06/32/403590632.db2.gz HZLILKVZYVCZNQ-CMPLNLGQSA-N 0 3 305.765 2.111 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C2CCOCC2)CC1 ZINC000346764950 403601849 /nfs/dbraw/zinc/60/18/49/403601849.db2.gz DZHRNWLTWPMJLG-QGZVFWFLSA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000299668877 403564812 /nfs/dbraw/zinc/56/48/12/403564812.db2.gz MBODTRAQXFHAQD-CHWSQXEVSA-N 0 3 309.435 2.280 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(CC2(O)CCCC2)CC1 ZINC000332428199 403578835 /nfs/dbraw/zinc/57/88/35/403578835.db2.gz VFSGCCGOPKZREY-UHFFFAOYSA-N 0 3 303.381 2.124 20 30 DEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000287350704 403580853 /nfs/dbraw/zinc/58/08/53/403580853.db2.gz WHVVWOFEEATQAX-MLGOLLRUSA-N 0 3 301.365 2.396 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCSc1ccccc1F ZINC000293943481 403605841 /nfs/dbraw/zinc/60/58/41/403605841.db2.gz JIFNQYGOIRZRMK-UHFFFAOYSA-N 0 3 308.422 2.379 20 30 DEEDHN COCCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347061823 403614015 /nfs/dbraw/zinc/61/40/15/403614015.db2.gz FLIZQWLULKVLCA-NEPJUHHUSA-N 0 3 306.362 2.057 20 30 DEEDHN COCC1(C#N)CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347174335 403618903 /nfs/dbraw/zinc/61/89/03/403618903.db2.gz CGXXQDSROGXIFS-MRXNPFEDSA-N 0 3 322.836 2.496 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOc1ccc(F)cc1F ZINC000294000403 403620939 /nfs/dbraw/zinc/62/09/39/403620939.db2.gz OTNKZHSCYTWYKB-UHFFFAOYSA-N 0 3 324.371 2.195 20 30 DEEDHN C=C[C@H](CC(=O)N1CCCN([C@@H](C)CO)CC1)c1ccccc1 ZINC000347132160 403617829 /nfs/dbraw/zinc/61/78/29/403617829.db2.gz MRMDKGSYDZSRDB-DLBZAZTESA-N 0 3 316.445 2.261 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)C)nc1CC ZINC000294009395 403622962 /nfs/dbraw/zinc/62/29/62/403622962.db2.gz PNSBMOZCZHHSOQ-UHFFFAOYSA-N 0 3 301.434 2.452 20 30 DEEDHN CCN(CCN1CCCCCC1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000347306405 403657609 /nfs/dbraw/zinc/65/76/09/403657609.db2.gz IQVUDDHHYMLYCA-GOSISDBHSA-N 0 3 322.497 2.239 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000343604485 403658795 /nfs/dbraw/zinc/65/87/95/403658795.db2.gz ZSQVIKUQMZMHFT-XJKSGUPXSA-N 0 3 315.417 2.436 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cn1 ZINC000301860227 403691910 /nfs/dbraw/zinc/69/19/10/403691910.db2.gz DFKUVCTVGMPXFB-ZWKOTPCHSA-N 0 3 308.385 2.001 20 30 DEEDHN C#CCCCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000288034187 403712698 /nfs/dbraw/zinc/71/26/98/403712698.db2.gz LPCANQBGJGIKNX-KRWDZBQOSA-N 0 3 317.433 2.401 20 30 DEEDHN CCCCO[C@@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C1(C)C ZINC000347686239 403805598 /nfs/dbraw/zinc/80/55/98/403805598.db2.gz HNAOTDDIZCKMNS-RKVPGOIHSA-N 0 3 321.465 2.368 20 30 DEEDHN N#CC(C(=O)c1ccc(OCC(F)F)nc1)c1ccncn1 ZINC000354466085 403816756 /nfs/dbraw/zinc/81/67/56/403816756.db2.gz MEPZZCJVODTUGR-SNVBAGLBSA-N 0 3 304.256 2.006 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000361716364 403820438 /nfs/dbraw/zinc/82/04/38/403820438.db2.gz HPXUOSRAOOSIMI-XJKSGUPXSA-N 0 3 318.417 2.473 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccncn1 ZINC000354471842 403820408 /nfs/dbraw/zinc/82/04/08/403820408.db2.gz UHSTYISZEHEYQZ-NSHDSACASA-N 0 3 324.365 2.401 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)OCC ZINC000347722246 403825681 /nfs/dbraw/zinc/82/56/81/403825681.db2.gz PBQNZSFZUZNVSG-RDJZCZTQSA-N 0 3 324.465 2.069 20 30 DEEDHN CC1(C)C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 ZINC000333598429 403789243 /nfs/dbraw/zinc/78/92/43/403789243.db2.gz PIDLOWJCDFWZPB-HOCLYGCPSA-N 0 3 313.401 2.211 20 30 DEEDHN COc1ccccc1-c1noc([C@H](C)NC(=O)C(C)C#N)n1 ZINC000347752474 403847354 /nfs/dbraw/zinc/84/73/54/403847354.db2.gz KGSHJVUOVKFYJV-UWVGGRQHSA-N 0 3 300.318 2.082 20 30 DEEDHN CN(c1cc(C#N)ncn1)C1CCN(Cc2ccccc2)CC1 ZINC000309769479 403963204 /nfs/dbraw/zinc/96/32/04/403963204.db2.gz HDOFZTDGDGEQMN-UHFFFAOYSA-N 0 3 307.401 2.449 20 30 DEEDHN CCCN(CC#Cc1ccccc1)CCN1CCN(CC)CC1 ZINC000344126286 403927117 /nfs/dbraw/zinc/92/71/17/403927117.db2.gz GVIJKMQXKUXNON-UHFFFAOYSA-N 0 3 313.489 2.388 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CC[C@@H](C)C1 ZINC000362154885 403929408 /nfs/dbraw/zinc/92/94/08/403929408.db2.gz IGQHHOZCVMYSDC-HZPDHXFCSA-N 0 3 321.465 2.466 20 30 DEEDHN CN(C)C[C@H](NC(=O)c1ccc(C#N)o1)c1ccc(F)cc1 ZINC000354657278 403931857 /nfs/dbraw/zinc/93/18/57/403931857.db2.gz WEYLRMFPORMVAE-AWEZNQCLSA-N 0 3 301.321 2.323 20 30 DEEDHN CCN1CCC(N(C)C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000351819003 403939499 /nfs/dbraw/zinc/93/94/99/403939499.db2.gz JVPSZKZIFQXNMJ-UHFFFAOYSA-N 0 3 303.381 2.183 20 30 DEEDHN N#CCCN(C(=O)CN[C@@H](CO)C1CCCC1)c1ccccc1 ZINC000289414653 403952133 /nfs/dbraw/zinc/95/21/33/403952133.db2.gz BLEOGEQQEWNAKO-KRWDZBQOSA-N 0 3 315.417 2.074 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000362807782 403989045 /nfs/dbraw/zinc/98/90/45/403989045.db2.gz IGBDSRJJWQRNIH-BZSNNMDCSA-N 0 3 314.429 2.358 20 30 DEEDHN CN(C)c1ncccc1O[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000295690855 404005449 /nfs/dbraw/zinc/00/54/49/404005449.db2.gz DJTDJHLMKMKRHT-SOUVJXGZSA-N 0 3 300.406 2.293 20 30 DEEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000289873426 404005570 /nfs/dbraw/zinc/00/55/70/404005570.db2.gz RQCPEXLBZBKPHE-SWLSCSKDSA-N 0 3 310.825 2.214 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCSC1 ZINC000290220715 404086768 /nfs/dbraw/zinc/08/67/68/404086768.db2.gz QSQNEILLYRKKJU-HNNXBMFYSA-N 0 3 322.409 2.256 20 30 DEEDHN C[C@@H]1CC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)=NO1 ZINC000363146036 404091627 /nfs/dbraw/zinc/09/16/27/404091627.db2.gz VTENVOCWSMNHCB-OCCSQVGLSA-N 0 3 319.380 2.276 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348139829 404045940 /nfs/dbraw/zinc/04/59/40/404045940.db2.gz WETISCKCBBLMQX-OBJOEFQTSA-N 0 3 319.405 2.500 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348139829 404045948 /nfs/dbraw/zinc/04/59/48/404045948.db2.gz WETISCKCBBLMQX-OBJOEFQTSA-N 0 3 319.405 2.500 20 30 DEEDHN C[C@H](Cc1ccncc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348291238 404056599 /nfs/dbraw/zinc/05/65/99/404056599.db2.gz APAYVPSEOXTWTE-RDTXWAMCSA-N 0 3 318.380 2.383 20 30 DEEDHN C=CC[C@@H](CO)CNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000344326142 404059061 /nfs/dbraw/zinc/05/90/61/404059061.db2.gz NKPRJWKRVLZKDR-CYBMUJFWSA-N 0 3 309.479 2.184 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328755758 404144679 /nfs/dbraw/zinc/14/46/79/404144679.db2.gz TVCNBNPLIJJPIQ-BXUZGUMPSA-N 0 3 319.405 2.356 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CCCc3nn(C)cc32)C1 ZINC000328832109 404160344 /nfs/dbraw/zinc/16/03/44/404160344.db2.gz VPGUZJTYVKERFR-UKRRQHHQSA-N 0 3 319.453 2.033 20 30 DEEDHN CCC(=O)N[C@@H]1CCCN(C[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000328897011 404171122 /nfs/dbraw/zinc/17/11/22/404171122.db2.gz CJFUGLHQBZQNBD-JJRVBVJISA-N 0 3 320.437 2.329 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1CC ZINC000328938035 404176482 /nfs/dbraw/zinc/17/64/82/404176482.db2.gz GPJMUPONTYLGNV-RBSFLKMASA-N 0 3 320.437 2.421 20 30 DEEDHN CC(C)[C@H](O)C1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000329172504 404255324 /nfs/dbraw/zinc/25/53/24/404255324.db2.gz AGGYSIJRJJWHAH-HOTGVXAUSA-N 0 3 324.465 2.383 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000349914123 404256557 /nfs/dbraw/zinc/25/65/57/404256557.db2.gz MDTGNPYEDVEOLX-ZDUSSCGKSA-N 0 3 303.381 2.088 20 30 DEEDHN CC1(C#N)CCN(C(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000290647453 404257510 /nfs/dbraw/zinc/25/75/10/404257510.db2.gz YWCTVKOEDUIDBB-GJZGRUSLSA-N 0 3 312.369 2.443 20 30 DEEDHN CN1CCC[C@@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000344607714 404259305 /nfs/dbraw/zinc/25/93/05/404259305.db2.gz WXYMTWRTUPJQPA-MRXNPFEDSA-N 0 3 301.390 2.080 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1nc(C)no1 ZINC000329226250 404271562 /nfs/dbraw/zinc/27/15/62/404271562.db2.gz HHIOIYKVFODVFH-ZIAGYGMSSA-N 0 3 321.425 2.303 20 30 DEEDHN Cc1noc([C@@H]2CCCN2C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000329271127 404285637 /nfs/dbraw/zinc/28/56/37/404285637.db2.gz JCUUJBVRLKZGDV-YUTCNCBUSA-N 0 3 321.425 2.158 20 30 DEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cnccc2C#N)C1 ZINC000342067680 404345145 /nfs/dbraw/zinc/34/51/45/404345145.db2.gz VLIBYHCLWUZTQA-ZDUSSCGKSA-N 0 3 300.406 2.194 20 30 DEEDHN O=C(NCCC1(O)CCC1)N1CCN(C2CCCCC2)CC1 ZINC000329482370 404350291 /nfs/dbraw/zinc/35/02/91/404350291.db2.gz DTRQPVFCPHPDBR-UHFFFAOYSA-N 0 3 309.454 2.156 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(OC)cc2F)CC1 ZINC000352410818 404352430 /nfs/dbraw/zinc/35/24/30/404352430.db2.gz SIBHVQSVXNRWBG-UHFFFAOYSA-N 0 3 306.381 2.143 20 30 DEEDHN CC(C)N1CCC(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000329504140 404358124 /nfs/dbraw/zinc/35/81/24/404358124.db2.gz GZLZVWZGZXDQMC-CQSZACIVSA-N 0 3 316.467 2.031 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329301928 404294238 /nfs/dbraw/zinc/29/42/38/404294238.db2.gz NFQZLRBVAPMIQE-XLNGHYISSA-N 0 3 321.465 2.153 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)C1=CCN(C)CC1 ZINC000329352730 404310819 /nfs/dbraw/zinc/31/08/19/404310819.db2.gz URKXQUXXDCGPSQ-GXTWGEPZSA-N 0 3 309.454 2.487 20 30 DEEDHN C=CCOCCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000355331069 404324978 /nfs/dbraw/zinc/32/49/78/404324978.db2.gz DUOOOSNTEWRBFJ-QGZVFWFLSA-N 0 3 318.417 2.175 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)c1ncc(Br)cc1C#N ZINC000297051348 404428744 /nfs/dbraw/zinc/42/87/44/404428744.db2.gz IJMCQDGXPDJMPG-NSHDSACASA-N 0 3 323.238 2.494 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2ccnn2C)CCN1C ZINC000329619387 404396615 /nfs/dbraw/zinc/39/66/15/404396615.db2.gz FEPYBEPLGCVVSS-IIAWOOMASA-N 0 3 319.453 2.344 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@H](n2cccn2)C1)N1CCC(C)CC1 ZINC000329631931 404402878 /nfs/dbraw/zinc/40/28/78/404402878.db2.gz RONRXYKOFKIISQ-CVEARBPZSA-N 0 3 319.453 2.164 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(CCF)c1 ZINC000344851551 404404852 /nfs/dbraw/zinc/40/48/52/404404852.db2.gz UDYYRINQFVQFLY-GFCCVEGCSA-N 0 3 311.320 2.229 20 30 DEEDHN CC(C)(C#N)CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000350990894 404500006 /nfs/dbraw/zinc/50/00/06/404500006.db2.gz NPOQHMHGYHOTQJ-MRXNPFEDSA-N 0 3 314.433 2.500 20 30 DEEDHN CCc1nc2n(n1)C[C@@H](NC(=O)C1(C3CC3)CCOCC1)CC2 ZINC000329748576 404439065 /nfs/dbraw/zinc/43/90/65/404439065.db2.gz TUWUKTZWYYGMNK-ZDUSSCGKSA-N 0 3 318.421 2.319 20 30 DEEDHN N#Cc1cc(NCc2ccc(OCCN3CCCC3)cc2)ccn1 ZINC000342205263 404441348 /nfs/dbraw/zinc/44/13/48/404441348.db2.gz LUDSAOPEKIWKJY-UHFFFAOYSA-N 0 3 322.412 2.462 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000329814399 404460537 /nfs/dbraw/zinc/46/05/37/404460537.db2.gz ULLNEHRTGKDMCT-CHWSQXEVSA-N 0 3 307.438 2.217 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000350753083 404462967 /nfs/dbraw/zinc/46/29/67/404462967.db2.gz WBQIFFABCWDWCJ-ZIAGYGMSSA-N 0 3 314.437 2.378 20 30 DEEDHN C=CCCCCCN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352570757 404464129 /nfs/dbraw/zinc/46/41/29/404464129.db2.gz LWHRTZVHGULSAQ-OAHLLOKOSA-N 0 3 302.484 2.336 20 30 DEEDHN CSc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cnn1C ZINC000330040814 404536322 /nfs/dbraw/zinc/53/63/22/404536322.db2.gz FXPYSWMCEFPNQZ-LLVKDONJSA-N 0 3 308.451 2.464 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000345116578 404557698 /nfs/dbraw/zinc/55/76/98/404557698.db2.gz ONPMFTOXMSPCMN-HNNXBMFYSA-N 0 3 315.417 2.287 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CCC1 ZINC000365158835 404563165 /nfs/dbraw/zinc/56/31/65/404563165.db2.gz CYUDSGKTFAKJAR-IRXDYDNUSA-N 0 3 319.493 2.217 20 30 DEEDHN Cc1nnsc1CNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000330268387 404607557 /nfs/dbraw/zinc/60/75/57/404607557.db2.gz RDRKGZPYNLBKEL-ZDUSSCGKSA-N 0 3 323.466 2.211 20 30 DEEDHN C[C@H](CCO)C1(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)CCC1 ZINC000330300382 404620191 /nfs/dbraw/zinc/62/01/91/404620191.db2.gz NDKSCYXBGJZMFH-WBVHZDCISA-N 0 3 323.481 2.117 20 30 DEEDHN N#C[C@@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)CCO1 ZINC000357957820 404749307 /nfs/dbraw/zinc/74/93/07/404749307.db2.gz HZAQHILMEIOAKY-QGZVFWFLSA-N 0 3 313.401 2.037 20 30 DEEDHN Cc1ccc2ncc(C#N)c(NC[C@H]3CN4CCC[C@@H]4CO3)c2c1 ZINC000366177252 404767623 /nfs/dbraw/zinc/76/76/23/404767623.db2.gz JHMCAXJNWUMPFQ-CVEARBPZSA-N 0 3 322.412 2.112 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccnc(-n3cccn3)c2)nc(C)n1 ZINC000353031645 404727425 /nfs/dbraw/zinc/72/74/25/404727425.db2.gz VGGUMVDSEKICJK-CQSZACIVSA-N 0 3 318.340 2.164 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415025730 404790177 /nfs/dbraw/zinc/79/01/77/404790177.db2.gz RBPOHRTXBSEDKV-ZDUSSCGKSA-N 0 3 303.406 2.206 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000359358590 404790927 /nfs/dbraw/zinc/79/09/27/404790927.db2.gz IXESCBVOYINEBT-HNNXBMFYSA-N 0 3 310.332 2.095 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000366707774 404835619 /nfs/dbraw/zinc/83/56/19/404835619.db2.gz IKNTXYQUKJPVBD-TWMKSMIVSA-N 0 3 321.465 2.093 20 30 DEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435019402 404951505 /nfs/dbraw/zinc/95/15/05/404951505.db2.gz JOEBCTWCDSSKTF-PBHICJAKSA-N 0 3 309.413 2.285 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451510630 405008609 /nfs/dbraw/zinc/00/86/09/405008609.db2.gz PGQINKXZAGJMOR-CWRNSKLLSA-N 0 3 321.465 2.320 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000424113898 405011294 /nfs/dbraw/zinc/01/12/94/405011294.db2.gz OXIIBJHQXKGIAL-AWEZNQCLSA-N 0 3 324.388 2.309 20 30 DEEDHN Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)c(OCC2CC2)c1 ZINC000424120753 405012649 /nfs/dbraw/zinc/01/26/49/405012649.db2.gz HAKYOQHFCOBONP-INIZCTEOSA-N 0 3 315.417 2.421 20 30 DEEDHN CC(C)N(CCN1CCCOCC1)Cc1ccc(C#N)cc1 ZINC000361298781 405012865 /nfs/dbraw/zinc/01/28/65/405012865.db2.gz ZDDBOPOBYFQHAR-UHFFFAOYSA-N 0 3 301.434 2.491 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000424119564 405012943 /nfs/dbraw/zinc/01/29/43/405012943.db2.gz CVTQXQXMQYFFIW-CQSZACIVSA-N 0 3 303.431 2.449 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccccc1OCC#N ZINC000367333147 405015901 /nfs/dbraw/zinc/01/59/01/405015901.db2.gz OXEADXGYTNJYSY-LSDHHAIUSA-N 0 3 313.401 2.288 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(-n2cccn2)c1 ZINC000424131353 405017029 /nfs/dbraw/zinc/01/70/29/405017029.db2.gz UWYQWVITGUYMSD-BBRMVZONSA-N 0 3 311.389 2.071 20 30 DEEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C ZINC000416065833 405018253 /nfs/dbraw/zinc/01/82/53/405018253.db2.gz SMNLRGWOOOYDJU-IRXDYDNUSA-N 0 3 313.401 2.418 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000361317358 405020258 /nfs/dbraw/zinc/02/02/58/405020258.db2.gz ZPXYLJCNKINFDW-UWVGGRQHSA-N 0 3 311.179 2.492 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424062775 404989873 /nfs/dbraw/zinc/98/98/73/404989873.db2.gz HUJRASMNJKBNQP-LBPRGKRZSA-N 0 3 308.769 2.258 20 30 DEEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424070809 404994216 /nfs/dbraw/zinc/99/42/16/404994216.db2.gz ASYFBPWOOFCJMP-IUODEOHRSA-N 0 3 313.405 2.397 20 30 DEEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000424077299 404997215 /nfs/dbraw/zinc/99/72/15/404997215.db2.gz BGCJHMSSAFQRDV-PBHICJAKSA-N 0 3 317.433 2.496 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1Cl ZINC000424084686 404999755 /nfs/dbraw/zinc/99/97/55/404999755.db2.gz FFKVKDMWVORJQL-YPMHNXCESA-N 0 3 309.797 2.245 20 30 DEEDHN CN(C)C1(CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000416304093 405095797 /nfs/dbraw/zinc/09/57/97/405095797.db2.gz TYGNLRCHLPWCCY-UHFFFAOYSA-N 0 3 303.431 2.002 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416349839 405115005 /nfs/dbraw/zinc/11/50/05/405115005.db2.gz HGIXKFJPKBOWOS-HUUCEWRRSA-N 0 3 321.371 2.215 20 30 DEEDHN Cc1ccc(NC(=O)CCNCCOc2ccc(C#N)cc2)nc1 ZINC000568383010 292336342 /nfs/dbraw/zinc/33/63/42/292336342.db2.gz WQPUHHJZHQXSOS-UHFFFAOYSA-N 0 3 324.384 2.259 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)c[nH]1 ZINC000367768846 405148661 /nfs/dbraw/zinc/14/86/61/405148661.db2.gz NAQDPTGNPJCSIW-SFHVURJKSA-N 0 3 322.412 2.323 20 30 DEEDHN C[C@]12CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452051642 405144512 /nfs/dbraw/zinc/14/45/12/405144512.db2.gz ZRXDLSMTIXFTLR-KYHPRHEASA-N 0 3 314.433 2.010 20 30 DEEDHN CC(C)(C)C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000452068913 405151347 /nfs/dbraw/zinc/15/13/47/405151347.db2.gz CSWIJDFPFGDROD-OAHLLOKOSA-N 0 3 304.438 2.400 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@@H]2CCCCN2CC(C)C)nn1 ZINC000424742450 405165609 /nfs/dbraw/zinc/16/56/09/405165609.db2.gz VMIIRMSPRGQXBL-HNNXBMFYSA-N 0 3 319.453 2.095 20 30 DEEDHN CCN(Cc1ccccc1NC(=O)[C@@H](C)C#N)C(=O)C(C)C#N ZINC000424892717 405207681 /nfs/dbraw/zinc/20/76/81/405207681.db2.gz NTZYCXWNBBANBX-QWHCGFSZSA-N 0 3 312.373 2.293 20 30 DEEDHN C=CCOCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000354453423 405217170 /nfs/dbraw/zinc/21/71/70/405217170.db2.gz VTZVTHCOMDKYLE-UHFFFAOYSA-N 0 3 302.418 2.142 20 30 DEEDHN C=CC[C@@H]1N(C(=O)C(=O)N[C@H](CN)CC(C)C)CCCC1(C)C ZINC000419974601 405276789 /nfs/dbraw/zinc/27/67/89/405276789.db2.gz IPBAHZVAMFADEO-GJZGRUSLSA-N 0 3 323.481 2.069 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC(F)(F)C1 ZINC000440592027 405318772 /nfs/dbraw/zinc/31/87/72/405318772.db2.gz DOHFPFAZUZNULV-UHFFFAOYSA-N 0 3 321.371 2.494 20 30 DEEDHN CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425843089 405323500 /nfs/dbraw/zinc/32/35/00/405323500.db2.gz JZWNPUMLDSWKLI-LSDHHAIUSA-N 0 3 306.454 2.442 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](C)(COC)C2)CC1 ZINC000454460329 405348360 /nfs/dbraw/zinc/34/83/60/405348360.db2.gz HVSMMJFEQKJCSE-QGZVFWFLSA-N 0 3 309.454 2.095 20 30 DEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CNc1cccc(C#N)c1 ZINC000426606993 405370788 /nfs/dbraw/zinc/37/07/88/405370788.db2.gz BUPZAXAVYUVSBE-GASCZTMLSA-N 0 3 314.433 2.349 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000448692746 405437068 /nfs/dbraw/zinc/43/70/68/405437068.db2.gz YYRGUZLDCJJJKR-HNAYVOBHSA-N 0 3 311.429 2.359 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000429713737 405444716 /nfs/dbraw/zinc/44/47/16/405444716.db2.gz DYIJCYLAYHRWEU-OAHLLOKOSA-N 0 3 314.433 2.325 20 30 DEEDHN CN1CC[C@@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448765054 405446142 /nfs/dbraw/zinc/44/61/42/405446142.db2.gz WKCOFFHSPDXSCM-JTQLQIEISA-N 0 3 322.206 2.002 20 30 DEEDHN CN(C)CC1(NC(=O)Nc2cnc(C#N)c(Cl)c2)CCC1 ZINC000455758238 405447748 /nfs/dbraw/zinc/44/77/48/405447748.db2.gz JORGMOOJYUQYCN-UHFFFAOYSA-N 0 3 307.785 2.212 20 30 DEEDHN CC(C)CN1CCO[C@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000421334036 405465065 /nfs/dbraw/zinc/46/50/65/405465065.db2.gz PBMAIASGJPWSRN-MRXNPFEDSA-N 0 3 305.397 2.144 20 30 DEEDHN N#Cc1c(F)cccc1NCC(=O)NCCN1CCCCCC1 ZINC000431499072 405634329 /nfs/dbraw/zinc/63/43/29/405634329.db2.gz CKJFDIADRLULOS-UHFFFAOYSA-N 0 3 318.396 2.101 20 30 DEEDHN CCN(CCC#N)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431113594 405580170 /nfs/dbraw/zinc/58/01/70/405580170.db2.gz HYWJINYGHGVXQL-UHFFFAOYSA-N 0 3 318.425 2.226 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H]2CCC[C@@H]2C1 ZINC000528404446 405593510 /nfs/dbraw/zinc/59/35/10/405593510.db2.gz OQJHBNQGRYHEIO-GASCZTMLSA-N 0 3 308.381 2.018 20 30 DEEDHN C=CCC[C@H](O)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494244594 405669404 /nfs/dbraw/zinc/66/94/04/405669404.db2.gz KDDQOKIFAWNXDS-YLQAJVPDSA-N 0 3 324.371 2.153 20 30 DEEDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000494270368 405672436 /nfs/dbraw/zinc/67/24/36/405672436.db2.gz HARVPTHKBRXXAH-MPGHIAIKSA-N 0 3 315.417 2.479 20 30 DEEDHN Cc1sc(NC(=O)CN[C@]2(C)CCO[C@@H]2C)c(C#N)c1C ZINC000494283611 405672709 /nfs/dbraw/zinc/67/27/09/405672709.db2.gz XMAJWBRCPICYEZ-IAQYHMDHSA-N 0 3 307.419 2.332 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)N(C)C ZINC000459036649 405708368 /nfs/dbraw/zinc/70/83/68/405708368.db2.gz FRAKOBAUVIJXNA-AWEZNQCLSA-N 0 3 300.406 2.206 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)NCCCCN1CCN(CC)CC1 ZINC000494652796 405736675 /nfs/dbraw/zinc/73/66/75/405736675.db2.gz DNNPTLYFNASNBF-QGZVFWFLSA-N 0 3 322.497 2.154 20 30 DEEDHN C=CC(C)(C)C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000450129904 405749229 /nfs/dbraw/zinc/74/92/29/405749229.db2.gz BFHLYFVLQPOWAF-CQSZACIVSA-N 0 3 306.406 2.139 20 30 DEEDHN COCc1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)cc1C#N ZINC000529210099 405753158 /nfs/dbraw/zinc/75/31/58/405753158.db2.gz CNPXLRQDBMZGSM-ZDUSSCGKSA-N 0 3 316.405 2.168 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000450293004 405820097 /nfs/dbraw/zinc/82/00/97/405820097.db2.gz XRQFEMRDJJQIGI-IRXDYDNUSA-N 0 3 308.385 2.022 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H]2CCCC(=O)N2)ccc1OC ZINC000433195399 405894427 /nfs/dbraw/zinc/89/44/27/405894427.db2.gz UTTHELORXGTRDX-OAHLLOKOSA-N 0 3 318.417 2.408 20 30 DEEDHN N#CC1(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000584209177 405847323 /nfs/dbraw/zinc/84/73/23/405847323.db2.gz GBAOARSBLDEARC-UHFFFAOYSA-N 0 3 312.417 2.208 20 30 DEEDHN CC(C#N)C(=O)NCCCCCNC(=O)OCc1ccccc1 ZINC000495629190 405927969 /nfs/dbraw/zinc/92/79/69/405927969.db2.gz PEQNYXXRZVWSHM-CQSZACIVSA-N 0 3 317.389 2.359 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495786039 405934745 /nfs/dbraw/zinc/93/47/45/405934745.db2.gz KWYYYRIPQILIHG-CJNGLKHVSA-N 0 3 311.426 2.152 20 30 DEEDHN CC[C@H](C)NC(=O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433320855 405923682 /nfs/dbraw/zinc/92/36/82/405923682.db2.gz TXRNQZAWMMGPSQ-GOEBONIOSA-N 0 3 315.417 2.180 20 30 DEEDHN COCC1(C#N)CCN(C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450930868 405989620 /nfs/dbraw/zinc/98/96/20/405989620.db2.gz NVKPFZNWJMENDW-RDJZCZTQSA-N 0 3 302.418 2.403 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000566903261 406092086 /nfs/dbraw/zinc/09/20/86/406092086.db2.gz ZWKHVSCRUDPTQJ-RHSMWYFYSA-N 0 3 315.417 2.435 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000566903262 406092235 /nfs/dbraw/zinc/09/22/35/406092235.db2.gz ZWKHVSCRUDPTQJ-WMLDXEAASA-N 0 3 315.417 2.435 20 30 DEEDHN N#CC1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000563589848 406060795 /nfs/dbraw/zinc/06/07/95/406060795.db2.gz HWSBLHGRKXIEPF-OAHLLOKOSA-N 0 3 315.392 2.458 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCN(C)c2ccccc2)C1=O ZINC000564795847 406065754 /nfs/dbraw/zinc/06/57/54/406065754.db2.gz OWTAQRFAGAPTNZ-QGZVFWFLSA-N 0 3 301.434 2.232 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000516864260 406107238 /nfs/dbraw/zinc/10/72/38/406107238.db2.gz VJWSVHXSCSVIBI-XJKSGUPXSA-N 0 3 304.438 2.194 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000568144038 406197441 /nfs/dbraw/zinc/19/74/41/406197441.db2.gz RYAVSBJPGDODIZ-ZWKOTPCHSA-N 0 3 302.418 2.094 20 30 DEEDHN COCC#CCN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000639757570 406238123 /nfs/dbraw/zinc/23/81/23/406238123.db2.gz MIEZULUGEJTVES-UHFFFAOYSA-N 0 3 310.401 2.301 20 30 DEEDHN Cc1csc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1C#N ZINC000569588438 406274341 /nfs/dbraw/zinc/27/43/41/406274341.db2.gz NHNGCEYPWGOOLL-HNNXBMFYSA-N 0 3 304.419 2.488 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[C@@H]1C ZINC000488041181 406288008 /nfs/dbraw/zinc/28/80/08/406288008.db2.gz LNIZLTJFZFQCGI-JKSUJKDBSA-N 0 3 321.465 2.466 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000545999631 406342742 /nfs/dbraw/zinc/34/27/42/406342742.db2.gz RALFKJSYZWLTQT-DZGCQCFKSA-N 0 3 314.389 2.125 20 30 DEEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000569788675 406301978 /nfs/dbraw/zinc/30/19/78/406301978.db2.gz VFYQQFXFPLDJKH-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@H](NCc1cnc2c(C#N)cnn2c1)[C@@H]1COc2ccccc21 ZINC000571524152 406531711 /nfs/dbraw/zinc/53/17/11/406531711.db2.gz RZVFWPKRWVOKMS-LRDDRELGSA-N 0 3 319.368 2.255 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000571624946 406544207 /nfs/dbraw/zinc/54/42/07/406544207.db2.gz MTIARTNQDJPOOP-CRAIPNDOSA-N 0 3 324.428 2.472 20 30 DEEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491276942 406559245 /nfs/dbraw/zinc/55/92/45/406559245.db2.gz LRDNBAJCBYPMQE-TZMCWYRMSA-N 0 3 302.374 2.192 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000491296415 406563494 /nfs/dbraw/zinc/56/34/94/406563494.db2.gz LTWIFEFZBXQGCQ-GFCCVEGCSA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000490948020 406509996 /nfs/dbraw/zinc/50/99/96/406509996.db2.gz CNGZECJFOCPOJP-CVEARBPZSA-N 0 3 306.450 2.040 20 30 DEEDHN CCN(C[C@H]1CCCN1CC)C(=O)COc1ccccc1C#N ZINC000548454733 406517939 /nfs/dbraw/zinc/51/79/39/406517939.db2.gz WOSOHJSMAKXSRM-MRXNPFEDSA-N 0 3 315.417 2.270 20 30 DEEDHN C=CCC1(CNC(=O)c2ccn(CCN(C)C)n2)CCCC1 ZINC000572015395 406596315 /nfs/dbraw/zinc/59/63/15/406596315.db2.gz NFWIOCSNWKOGTQ-UHFFFAOYSA-N 0 3 304.438 2.311 20 30 DEEDHN C#CCN(C)CCCN[C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000491451964 406596338 /nfs/dbraw/zinc/59/63/38/406596338.db2.gz IOAJBNOHXBPPKC-SFHVURJKSA-N 0 3 314.408 2.193 20 30 DEEDHN CSC[C@@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000572112663 406607352 /nfs/dbraw/zinc/60/73/52/406607352.db2.gz SMEDOGMWOUEGSA-ZDUSSCGKSA-N 0 3 303.349 2.370 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CC1 ZINC000491339593 406571863 /nfs/dbraw/zinc/57/18/63/406571863.db2.gz RCRHNIBPUDNIGR-LBPRGKRZSA-N 0 3 317.458 2.154 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000491348732 406573302 /nfs/dbraw/zinc/57/33/02/406573302.db2.gz FFZFYCOKRLEDOP-QAPCUYQASA-N 0 3 311.429 2.314 20 30 DEEDHN C#C[C@@H](C)N(C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000491664356 406656790 /nfs/dbraw/zinc/65/67/90/406656790.db2.gz SZANDFCHQZWRIK-SNVBAGLBSA-N 0 3 320.190 2.070 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc3c(=O)[nH]ccc23)CC1 ZINC000491669718 406660065 /nfs/dbraw/zinc/66/00/65/406660065.db2.gz UPSGTIUVGKFVJM-UHFFFAOYSA-N 0 3 309.369 2.224 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000491690327 406670933 /nfs/dbraw/zinc/67/09/33/406670933.db2.gz LTZUPCFJPUPALU-HNNXBMFYSA-N 0 3 314.433 2.314 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000491697794 406674712 /nfs/dbraw/zinc/67/47/12/406674712.db2.gz AOSVQBUEJLEQAR-QAPCUYQASA-N 0 3 313.445 2.486 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 ZINC000491698121 406675214 /nfs/dbraw/zinc/67/52/14/406675214.db2.gz LRFOLLIBJSDPDX-DLBZAZTESA-N 0 3 323.481 2.225 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000491712591 406682965 /nfs/dbraw/zinc/68/29/65/406682965.db2.gz YTCGUAYRBWWQOP-AWEZNQCLSA-N 0 3 306.793 2.283 20 30 DEEDHN C#C[C@H](NC(=O)Nc1cc(C)nn1C1CCN(C)CC1)C(C)C ZINC000491736380 406694834 /nfs/dbraw/zinc/69/48/34/406694834.db2.gz RARPRIQNVGBSHL-HNNXBMFYSA-N 0 3 317.437 2.238 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn(CCC)c2C2CC2)CC1 ZINC000491737776 406696085 /nfs/dbraw/zinc/69/60/85/406696085.db2.gz OKEJHJRWYJSWCL-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCc1cc(F)ccc1F ZINC000491744328 406699012 /nfs/dbraw/zinc/69/90/12/406699012.db2.gz YXTWVHKRKXINDP-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000491751381 406701895 /nfs/dbraw/zinc/70/18/95/406701895.db2.gz XWZHCRHWQUERDU-DZGCQCFKSA-N 0 3 306.356 2.140 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000572814264 406742135 /nfs/dbraw/zinc/74/21/35/406742135.db2.gz UTKHRUOMYGMRQZ-FPCVCCKLSA-N 0 3 309.454 2.140 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000491783838 406716640 /nfs/dbraw/zinc/71/66/40/406716640.db2.gz PRCWVMLZYLEXPB-JKSUJKDBSA-N 0 3 320.477 2.430 20 30 DEEDHN CC(C)OCc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000574310061 406781444 /nfs/dbraw/zinc/78/14/44/406781444.db2.gz FPSXCAVBHXBAQT-INIZCTEOSA-N 0 3 303.406 2.249 20 30 DEEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccc(-n2cccn2)c1 ZINC000553878220 406775594 /nfs/dbraw/zinc/77/55/94/406775594.db2.gz DSAODCWPFJANRT-CQSZACIVSA-N 0 3 323.400 2.085 20 30 DEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)CCC(C)(C)C#N ZINC000573727182 406776776 /nfs/dbraw/zinc/77/67/76/406776776.db2.gz ORUATURLHYKMCR-CQSZACIVSA-N 0 3 315.483 2.062 20 30 DEEDHN CC#CC[C@H](CO)NCc1cn(-c2cccc(F)c2)nc1C ZINC000641767773 406887460 /nfs/dbraw/zinc/88/74/60/406887460.db2.gz QSLXKZGPHQPYAA-MRXNPFEDSA-N 0 3 301.365 2.184 20 30 DEEDHN CC#CC[C@H](CO)NCc1cc(F)cc(Br)c1 ZINC000641768076 406887911 /nfs/dbraw/zinc/88/79/11/406887911.db2.gz VSWMMIIITWDXBP-CYBMUJFWSA-N 0 3 300.171 2.452 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H](N)Cc3ccccc32)CCOCC1 ZINC000644165225 407098730 /nfs/dbraw/zinc/09/87/30/407098730.db2.gz UXQUQYAZTJWEJO-HNNXBMFYSA-N 0 3 300.402 2.276 20 30 DEEDHN O[C@H](CNCC#Cc1cccc(F)c1)COCc1cccs1 ZINC000644640643 407158326 /nfs/dbraw/zinc/15/83/26/407158326.db2.gz MXWVUNYVBFQWFT-MRXNPFEDSA-N 0 3 319.401 2.406 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)CC(C)C)cc1 ZINC000645324223 407263808 /nfs/dbraw/zinc/26/38/08/407263808.db2.gz JESKNAVLPPJQEB-CQSZACIVSA-N 0 3 304.394 2.306 20 30 DEEDHN C=CCC[C@H](O)CN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000129115232 196021252 /nfs/dbraw/zinc/02/12/52/196021252.db2.gz YDCBHRDUUQKFOJ-HNNXBMFYSA-N 0 3 307.390 2.191 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000132937173 196298042 /nfs/dbraw/zinc/29/80/42/196298042.db2.gz AJMIPKDAHLWURU-UHFFFAOYSA-N 0 3 311.307 2.384 20 30 DEEDHN N#CCCOCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000339136493 226180346 /nfs/dbraw/zinc/18/03/46/226180346.db2.gz UUSIIUCTTHJWPW-UHFFFAOYSA-N 0 3 302.422 2.329 20 30 DEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000343044781 226563531 /nfs/dbraw/zinc/56/35/31/226563531.db2.gz YYEJHUMICGFJIW-LLVKDONJSA-N 0 3 301.321 2.227 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000357795119 226779969 /nfs/dbraw/zinc/77/99/69/226779969.db2.gz JICHHXIIWPLQFT-HIFRSBDPSA-N 0 3 314.389 2.349 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000291013843 222071535 /nfs/dbraw/zinc/07/15/35/222071535.db2.gz NJYFTFPZJZTXPJ-WMLDXEAASA-N 0 3 317.433 2.058 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000291181459 222200556 /nfs/dbraw/zinc/20/05/56/222200556.db2.gz FEHGKZBDEQYWSK-AEFFLSMTSA-N 0 3 302.418 2.094 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COCC2CCCC2)C[C@H]1C ZINC001328255952 1148756910 /nfs/dbraw/zinc/75/69/10/1148756910.db2.gz JPRQPOGXJCWOTR-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1cc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)ncc1C#N ZINC000603123557 422449328 /nfs/dbraw/zinc/44/93/28/422449328.db2.gz WZFPYGNQGAXXAJ-CYBMUJFWSA-N 0 3 301.394 2.067 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2ncc(Cl)c(C)c2C#N)CC1 ZINC000612070481 422480972 /nfs/dbraw/zinc/48/09/72/422480972.db2.gz YJPHFLFCZHGATJ-LBPRGKRZSA-N 0 3 321.856 2.353 20 30 DEEDHN C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(OCC#N)cc1 ZINC000834916360 649860083 /nfs/dbraw/zinc/86/00/83/649860083.db2.gz WNHVYJWRCAZTSY-YSVLISHTSA-N 0 3 313.401 2.393 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncnc(N)c1Cl)C(C)C ZINC000359563693 424830666 /nfs/dbraw/zinc/83/06/66/424830666.db2.gz SVPMNZPARDCZOU-GFCCVEGCSA-N 0 3 309.845 2.823 20 30 DEEDHN CCCCN1CCCC[C@@H]1CNC(=O)Nc1nnc(C)s1 ZINC000330463430 424910361 /nfs/dbraw/zinc/91/03/61/424910361.db2.gz ZLCOHQBMKMEXHY-GFCCVEGCSA-N 0 3 311.455 2.827 20 30 DEEDHN N#Cc1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1N ZINC000571297387 424931360 /nfs/dbraw/zinc/93/13/60/424931360.db2.gz MPINJBNIGFBKAR-INIZCTEOSA-N 0 3 307.401 2.784 20 30 DEEDHN C=CCNc1ncc(C(=O)N(CC)C[C@H]2CCCN2CC)s1 ZINC000578255784 424956435 /nfs/dbraw/zinc/95/64/35/424956435.db2.gz CHWUWRMMOHTCAI-CYBMUJFWSA-N 0 3 322.478 2.687 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@]3(CC3(F)F)C2)CC1 ZINC000650852047 425067238 /nfs/dbraw/zinc/06/72/38/425067238.db2.gz OFRPWADFFRIADO-HNNXBMFYSA-N 0 3 313.392 2.468 20 30 DEEDHN C=CCOCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751730 425073771 /nfs/dbraw/zinc/07/37/71/425073771.db2.gz QSTPVIIHYLVLNL-RTBURBONSA-N 0 3 316.445 2.164 20 30 DEEDHN C=CCN(C(=O)NCCN(C)Cc1ccccc1)[C@@H](C)COC ZINC000663785460 425236037 /nfs/dbraw/zinc/23/60/37/425236037.db2.gz IBLLJYZDTNWTCK-INIZCTEOSA-N 0 3 319.449 2.351 20 30 DEEDHN C=CCN(C(=O)NCCN1CCCC[C@H]1CC)[C@H](C)COC ZINC000664178311 425323784 /nfs/dbraw/zinc/32/37/84/425323784.db2.gz IIHOUMBYTCOVIB-HZPDHXFCSA-N 0 3 311.470 2.483 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661120457 425327869 /nfs/dbraw/zinc/32/78/69/425327869.db2.gz OVRCFRGFCUSRQB-KFWWJZLASA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661120638 425328603 /nfs/dbraw/zinc/32/86/03/425328603.db2.gz PZCZDMMYUJFHKF-BBWFWOEESA-N 0 3 323.481 2.387 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000654431770 425352009 /nfs/dbraw/zinc/35/20/09/425352009.db2.gz ZFHZMCPYBPIXOZ-IRXDYDNUSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCc1cc(CNC[C@@H](OC)[C@@H]2CCOC2)cc(OC)c1O ZINC000657540963 425360202 /nfs/dbraw/zinc/36/02/02/425360202.db2.gz IQPMTXHSRQNAEP-NVXWUHKLSA-N 0 3 321.417 2.270 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654554187 425380037 /nfs/dbraw/zinc/38/00/37/425380037.db2.gz VUGQLRUDAINSDR-VQHPVUNQSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCN(CC(=O)NCCCN1CCCCCC1=O)C(C)(C)C ZINC000661754745 425494553 /nfs/dbraw/zinc/49/45/53/425494553.db2.gz CTZCCYMVBRODRT-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2sccc2C#N)C1(C)C ZINC000295805033 268804693 /nfs/dbraw/zinc/80/46/93/268804693.db2.gz AVSUXPFYXQJYEC-NHYWBVRUSA-N 0 3 307.419 2.351 20 30 DEEDHN CC1(C)CN(CC(=O)N(CCC#N)CCC#N)[C@H]2CCC[C@@H]21 ZINC000339710663 276131070 /nfs/dbraw/zinc/13/10/70/276131070.db2.gz IOLQKKMJXWRUMN-GJZGRUSLSA-N 0 3 302.422 2.153 20 30 DEEDHN CCN1CCN([C@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000246271972 276387801 /nfs/dbraw/zinc/38/78/01/276387801.db2.gz BKNYTWVBMMXLFW-APWZRJJASA-N 0 3 312.461 2.331 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000106274822 276861968 /nfs/dbraw/zinc/86/19/68/276861968.db2.gz RZYZMWZGNZVIPD-CQSZACIVSA-N 0 3 309.454 2.236 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000294489148 277695451 /nfs/dbraw/zinc/69/54/51/277695451.db2.gz PNIWJCZILGVZGG-NVXWUHKLSA-N 0 3 302.418 2.224 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H](C)C#N)C(C)C ZINC000298658514 277847589 /nfs/dbraw/zinc/84/75/89/277847589.db2.gz HOFOESKXEJAMOU-CVEARBPZSA-N 0 3 306.454 2.486 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000181793123 277869358 /nfs/dbraw/zinc/86/93/58/277869358.db2.gz ZMWLTHKJTPQEDJ-KBPBESRZSA-N 0 3 317.433 2.343 20 30 DEEDHN C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000272577131 278996866 /nfs/dbraw/zinc/99/68/66/278996866.db2.gz PCZWDHWOTBLEGL-UNEWFSDZSA-N 0 3 313.401 2.211 20 30 DEEDHN CCN1CCC(NC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000328806157 279256670 /nfs/dbraw/zinc/25/66/70/279256670.db2.gz LWNUEBVRTALXIN-HNNXBMFYSA-N 0 3 309.454 2.324 20 30 DEEDHN N#C[C@@H]1CC[C@H](NCc2cc(F)ccc2N2CCOCC2)C1 ZINC000442794878 279484598 /nfs/dbraw/zinc/48/45/98/279484598.db2.gz QQPDTFZVSNBTHS-CJNGLKHVSA-N 0 3 303.381 2.444 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000276507124 289113668 /nfs/dbraw/zinc/11/36/68/289113668.db2.gz YIPKLZGEDHKREO-INIZCTEOSA-N 0 3 313.401 2.051 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000336975941 294944516 /nfs/dbraw/zinc/94/45/16/294944516.db2.gz WJQPRQDJHPVKAU-JSGCOSHPSA-N 0 3 307.344 2.500 20 30 DEEDHN C[C@H](NC(=O)C1(C#N)CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000274638648 299029421 /nfs/dbraw/zinc/02/94/21/299029421.db2.gz QRMVSYCGCWVVJR-HOCLYGCPSA-N 0 3 315.417 2.114 20 30 DEEDHN N#Cc1ccc(C[NH2+]CCCNC(=O)c2cccc([O-])c2)cc1 ZINC000105426744 303191112 /nfs/dbraw/zinc/19/11/12/303191112.db2.gz NMJRDTCNDCZBNF-UHFFFAOYSA-N 0 3 309.369 2.174 20 30 DEEDHN CO[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC001349821980 1151291841 /nfs/dbraw/zinc/29/18/41/1151291841.db2.gz CMZXYQQBUACLJB-HUUCEWRRSA-N 0 3 307.369 2.041 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccc(C#N)cc1 ZINC000170949677 325716215 /nfs/dbraw/zinc/71/62/15/325716215.db2.gz DCUZMCQDXKDNFJ-UHFFFAOYSA-N 0 3 322.412 2.086 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](c3ccncc3)C2)cc1 ZINC000573188440 326030422 /nfs/dbraw/zinc/03/04/22/326030422.db2.gz KAIUDOGNQRNUHR-ZWKOTPCHSA-N 0 3 323.396 2.182 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2cc(OC)c(O)cc2Cl)C1 ZINC001350338136 1151346459 /nfs/dbraw/zinc/34/64/59/1151346459.db2.gz JULWVYJDXUEFGE-CYBMUJFWSA-N 0 3 308.809 2.241 20 30 DEEDHN N#Cc1cnn2cc(CN[C@H]3C[C@H]3Cc3ccccc3)cnc12 ZINC000575312925 326233283 /nfs/dbraw/zinc/23/32/83/326233283.db2.gz IEQKRNDFNXPLHY-WBVHZDCISA-N 0 3 303.369 2.322 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(-c2ccccc2)o1 ZINC000560887194 332392217 /nfs/dbraw/zinc/39/22/17/332392217.db2.gz QTLAUMRUTMDEBD-INIZCTEOSA-N 0 3 313.401 2.243 20 30 DEEDHN Cc1cc(N2CCC(NC[C@@H](C#N)CCC#N)CC2)nc(C)n1 ZINC000583417322 332395715 /nfs/dbraw/zinc/39/57/15/332395715.db2.gz VCBYGINJCNNCJQ-OAHLLOKOSA-N 0 3 312.421 2.095 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1c(F)cccc1Cl ZINC000296330997 335143560 /nfs/dbraw/zinc/14/35/60/335143560.db2.gz LQHLLTFRXVNFSJ-UHFFFAOYSA-N 0 3 311.788 2.233 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000571297367 333715406 /nfs/dbraw/zinc/71/54/06/333715406.db2.gz LZTSLSQXDOWSEW-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000050025569 334362439 /nfs/dbraw/zinc/36/24/39/334362439.db2.gz AAKUCKNJXWLMIT-CYBMUJFWSA-N 0 3 318.392 2.357 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000351985772 336186099 /nfs/dbraw/zinc/18/60/99/336186099.db2.gz BDYXAVPECXIEBH-CYBMUJFWSA-N 0 3 304.394 2.250 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cnc(C)s2)CC1 ZINC000264402570 337632542 /nfs/dbraw/zinc/63/25/42/337632542.db2.gz QQRNYCHKSWATTN-UHFFFAOYSA-N 0 3 308.451 2.291 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000424164389 337788653 /nfs/dbraw/zinc/78/86/53/337788653.db2.gz CFKMGBIGLWFWFJ-FZMZJTMJSA-N 0 3 307.344 2.302 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NCc1ccccc1F ZINC000429730884 338088594 /nfs/dbraw/zinc/08/85/94/338088594.db2.gz NYUBDFPOPGFBPQ-HNNXBMFYSA-N 0 3 321.440 2.270 20 30 DEEDHN CN(C)C(=O)OC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000496197949 340000310 /nfs/dbraw/zinc/00/03/10/340000310.db2.gz YSKXIOWMIKANAB-UHFFFAOYSA-N 0 3 301.390 2.415 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496319291 340002960 /nfs/dbraw/zinc/00/29/60/340002960.db2.gz DOJPJCOFYLRIGH-JHJVBQTASA-N 0 3 309.410 2.155 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496863933 340014875 /nfs/dbraw/zinc/01/48/75/340014875.db2.gz JOBIHNVUJSHKRX-BLLLJJGKSA-N 0 3 307.394 2.148 20 30 DEEDHN CC[C@H](CNC(=O)NC[C@@H](C)C#N)N1CCc2ccccc2C1 ZINC000543802710 341059557 /nfs/dbraw/zinc/05/95/57/341059557.db2.gz GYDVMDWEVCXUIH-WMLDXEAASA-N 0 3 314.433 2.282 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)ncn1)C(C)C ZINC000134607694 341219482 /nfs/dbraw/zinc/21/94/82/341219482.db2.gz MMNOVZVLMLNETO-MRXNPFEDSA-N 0 3 302.422 2.213 20 30 DEEDHN C[C@H](C#N)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078598092 341244673 /nfs/dbraw/zinc/24/46/73/341244673.db2.gz ANZVLMIIQFGGKA-UKRRQHHQSA-N 0 3 303.381 2.314 20 30 DEEDHN O=C(NCC#Cc1cccc(F)c1)N1CC[C@H](N2CCCC2)C1 ZINC000549591690 341298470 /nfs/dbraw/zinc/29/84/70/341298470.db2.gz PKAQTLMBHCNFBD-KRWDZBQOSA-N 0 3 315.392 2.057 20 30 DEEDHN C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)N1CCC[C@@H](C)C1 ZINC000246646025 341354986 /nfs/dbraw/zinc/35/49/86/341354986.db2.gz CSPMXCHVELCURL-ZIAGYGMSSA-N 0 3 318.425 2.039 20 30 DEEDHN Cc1nc2sccn2c(=O)c1CCN1CCC(CC#N)CC1 ZINC000551968627 341356382 /nfs/dbraw/zinc/35/63/82/341356382.db2.gz SLZLPCDHZZHZLX-UHFFFAOYSA-N 0 3 316.430 2.233 20 30 DEEDHN Cn1cc(-c2ncc(CN3CCC(CCC#N)CC3)cn2)cn1 ZINC000564990966 341514612 /nfs/dbraw/zinc/51/46/12/341514612.db2.gz ROZWMIZTTMGTIS-UHFFFAOYSA-N 0 3 310.405 2.393 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@H]1C ZINC001089013289 782111980 /nfs/dbraw/zinc/11/19/80/782111980.db2.gz LWSCBEDAXQXQOL-CJNGLKHVSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)CN(CC)CC ZINC001356999637 1152206231 /nfs/dbraw/zinc/20/62/31/1152206231.db2.gz ZZQACPMTKINLPH-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(Cl)nn(C)c2C)[C@H]1C ZINC001089009157 782115711 /nfs/dbraw/zinc/11/57/11/782115711.db2.gz WHEWWJFSLLWTOM-PWSUYJOCSA-N 0 3 310.829 2.151 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2nc(C)c(C)s2)CC1 ZINC001357524653 1152307409 /nfs/dbraw/zinc/30/74/09/1152307409.db2.gz HKDAKKNYBFQCCJ-CQSZACIVSA-N 0 3 322.478 2.092 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCc1ccncn1)C1CC1 ZINC001378392791 1152315388 /nfs/dbraw/zinc/31/53/88/1152315388.db2.gz FTFVNUVQIRDHLL-MRXNPFEDSA-N 0 3 322.840 2.036 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cn2c(n1)CCC2)C1CC1 ZINC001378396722 1152316592 /nfs/dbraw/zinc/31/65/92/1152316592.db2.gz ITVIQXGVYSNIRK-INIZCTEOSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cnccn2)CCCC[C@@H]1C ZINC001378419882 1152322145 /nfs/dbraw/zinc/32/21/45/1152322145.db2.gz MDTWSCBYNQOCPS-LRDDRELGSA-N 0 3 322.840 2.497 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001329890614 1149010803 /nfs/dbraw/zinc/01/08/03/1149010803.db2.gz DWITZWLLKSUVMJ-SCTDSRPQSA-N 0 3 320.477 2.481 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001378546820 1152371278 /nfs/dbraw/zinc/37/12/78/1152371278.db2.gz ISGRTDMEUFZEOA-CYBMUJFWSA-N 0 3 310.401 2.351 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)Cc1cccnc1C ZINC001329940584 1149021400 /nfs/dbraw/zinc/02/14/00/1149021400.db2.gz YSJIDOXDGVDFAO-SFHVURJKSA-N 0 3 313.445 2.317 20 30 DEEDHN C[C@@H](CNC(=O)COC1CCCC1)NCc1ccc(C#N)s1 ZINC001398858253 1161125619 /nfs/dbraw/zinc/12/56/19/1161125619.db2.gz RORUXMRDCQTOKM-LBPRGKRZSA-N 0 3 321.446 2.173 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000378313926 500938397 /nfs/dbraw/zinc/93/83/97/500938397.db2.gz HITFFJHNGHQLAM-LPHOPBHVSA-N 0 3 312.461 2.016 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2coc(C3CC3)n2)C1 ZINC001368820462 1148689070 /nfs/dbraw/zinc/68/90/70/1148689070.db2.gz MKEMXCOCPWMJIK-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1c(C)noc1C ZINC001399426256 1161388043 /nfs/dbraw/zinc/38/80/43/1161388043.db2.gz HFNAFLBLVJGQKV-LLVKDONJSA-N 0 3 313.829 2.461 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CN(C[C@@H]2CCCCO2)CC1(C)C ZINC001330188971 1149064158 /nfs/dbraw/zinc/06/41/58/1149064158.db2.gz BBJHWVXRRLQYLG-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001440927292 1181778663 /nfs/dbraw/zinc/77/86/63/1181778663.db2.gz FCUXXPOBXQKCKB-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)s1 ZINC000422214085 533900505 /nfs/dbraw/zinc/90/05/05/533900505.db2.gz GSILHQUIDYKWQC-SMDDNHRTSA-N 0 3 306.435 2.101 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc(Br)cc1C#N ZINC000297519323 533900559 /nfs/dbraw/zinc/90/05/59/533900559.db2.gz OJEYCLZCVYTPDL-GXFFZTMASA-N 0 3 323.238 2.492 20 30 DEEDHN COC(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(F)c1 ZINC000331069264 533954687 /nfs/dbraw/zinc/95/46/87/533954687.db2.gz RFWDIZHWTWMOGD-ZYHUDNBSSA-N 0 3 308.353 2.400 20 30 DEEDHN C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)CN1 ZINC000417915532 534340153 /nfs/dbraw/zinc/34/01/53/534340153.db2.gz MDVUZMOAWDUTCU-IJEWVQPXSA-N 0 3 300.406 2.423 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451670249 534571503 /nfs/dbraw/zinc/57/15/03/534571503.db2.gz CHGHVIVAUOQTFX-HIFRSBDPSA-N 0 3 319.361 2.165 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCSc1ccc(C)cc1 ZINC000451595133 534606800 /nfs/dbraw/zinc/60/68/00/534606800.db2.gz CIFMMCAFIZFKDO-CVEARBPZSA-N 0 3 320.458 2.136 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1OCC ZINC000451599497 534611240 /nfs/dbraw/zinc/61/12/40/534611240.db2.gz OFMNFGXCZDNNBA-YUELXQCFSA-N 0 3 304.390 2.345 20 30 DEEDHN C=CCOCCCN(CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451716425 534875066 /nfs/dbraw/zinc/87/50/66/534875066.db2.gz RPYKFOHQDIUWHT-MRXNPFEDSA-N 0 3 318.417 2.280 20 30 DEEDHN C=CCN(CCOC)C(=O)NCc1cccc(CN(C)C)c1 ZINC000191096525 526289244 /nfs/dbraw/zinc/28/92/44/526289244.db2.gz XZKZKBDCTKNYGQ-UHFFFAOYSA-N 0 3 305.422 2.092 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000448143034 526585457 /nfs/dbraw/zinc/58/54/57/526585457.db2.gz RKQNUVVZDYIOSU-DOTOQJQBSA-N 0 3 323.481 2.362 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2(CCO)CCCCC2)CC1 ZINC000338640379 526589262 /nfs/dbraw/zinc/58/92/62/526589262.db2.gz VRFZPPRBKASPID-UHFFFAOYSA-N 0 3 323.481 2.411 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192746711 526627276 /nfs/dbraw/zinc/62/72/76/526627276.db2.gz IPCHMSJMFRYUOO-VYDXJSESSA-N 0 3 302.418 2.435 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000292855129 526635937 /nfs/dbraw/zinc/63/59/37/526635937.db2.gz AHDOVSWEPQZXJY-AWEZNQCLSA-N 0 3 320.408 2.198 20 30 DEEDHN C#CCCN1CCC(NC(=O)c2cc3c(s2)CCOC3)CC1 ZINC000369756242 526724056 /nfs/dbraw/zinc/72/40/56/526724056.db2.gz DVGLCHLDVCRYRU-UHFFFAOYSA-N 0 3 318.442 2.038 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000339029341 526771585 /nfs/dbraw/zinc/77/15/85/526771585.db2.gz NOCYKFZEFKGPRK-UHFFFAOYSA-N 0 3 308.447 2.453 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000332546857 526797459 /nfs/dbraw/zinc/79/74/59/526797459.db2.gz CIETZUNIODCZEK-ULQDDVLXSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000296865265 526818118 /nfs/dbraw/zinc/81/81/18/526818118.db2.gz ZLWSIAXKFMCWTM-LBPRGKRZSA-N 0 3 309.360 2.280 20 30 DEEDHN CC(C)(C)c1nnc(CNC(=N)Nc2cc(F)ccc2F)[nH]1 ZINC000263196756 526856564 /nfs/dbraw/zinc/85/65/64/526856564.db2.gz WQFHPYNACCURTB-UHFFFAOYSA-N 0 3 308.336 2.307 20 30 DEEDHN C#CCN(CC#N)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000368535170 526874750 /nfs/dbraw/zinc/87/47/50/526874750.db2.gz UILJJXQHQMPORO-INIZCTEOSA-N 0 3 313.376 2.023 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292583014 526925740 /nfs/dbraw/zinc/92/57/40/526925740.db2.gz PWSUYQIFQSLWKX-GOSISDBHSA-N 0 3 300.402 2.419 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](CC)CNc2ccccc2)CC1 ZINC000295797685 526930479 /nfs/dbraw/zinc/93/04/79/526930479.db2.gz FWHWXDLZSVCYKT-QGZVFWFLSA-N 0 3 313.445 2.339 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000295655533 526945972 /nfs/dbraw/zinc/94/59/72/526945972.db2.gz HAUNFUAOMOJHDG-MRXNPFEDSA-N 0 3 302.418 2.082 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000294570404 527073416 /nfs/dbraw/zinc/07/34/16/527073416.db2.gz SKBDUIFARINORG-ZFWWWQNUSA-N 0 3 308.447 2.286 20 30 DEEDHN C=CCc1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc(OC)c1O ZINC000346336808 527238639 /nfs/dbraw/zinc/23/86/39/527238639.db2.gz PPMKNRVJOICFPX-ARFHVFGLSA-N 0 3 303.402 2.332 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@]12CCOC2 ZINC000341914127 527263984 /nfs/dbraw/zinc/26/39/84/527263984.db2.gz LFJREDXIYOQLEI-IEBWSBKVSA-N 0 3 317.429 2.410 20 30 DEEDHN C=CCCS(=O)(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000194762198 527417051 /nfs/dbraw/zinc/41/70/51/527417051.db2.gz XKBHEWUZGOKRBG-INIZCTEOSA-N 0 3 304.415 2.335 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(O)CCCCC1)C(C)C ZINC000444635211 527645919 /nfs/dbraw/zinc/64/59/19/527645919.db2.gz KEWPBOKKLIWWEU-INIZCTEOSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H](C)C1)C(C)C ZINC000372218396 527648249 /nfs/dbraw/zinc/64/82/49/527648249.db2.gz UCZBPOXGTARLDE-DLBZAZTESA-N 0 3 323.481 2.363 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)C3(C#N)CCC3)c2)CC1 ZINC000274443920 527708311 /nfs/dbraw/zinc/70/83/11/527708311.db2.gz FPTWYAYVVUWOCY-UHFFFAOYSA-N 0 3 312.417 2.461 20 30 DEEDHN CCN(C)CCNC(=O)c1ccc(Br)cc1C#N ZINC000294883462 527799372 /nfs/dbraw/zinc/79/93/72/527799372.db2.gz DSBDCUUPWMNBGI-UHFFFAOYSA-N 0 3 310.195 2.002 20 30 DEEDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)C#N)c1cccc(OC)c1 ZINC000357824633 528243259 /nfs/dbraw/zinc/24/32/59/528243259.db2.gz KURJFWSQIIRXQT-CJNGLKHVSA-N 0 3 303.406 2.354 20 30 DEEDHN CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330779365 528605697 /nfs/dbraw/zinc/60/56/97/528605697.db2.gz WFEVNSIXMUOCSD-DZGCQCFKSA-N 0 3 311.470 2.184 20 30 DEEDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)c(OC)c1 ZINC000292604829 528863674 /nfs/dbraw/zinc/86/36/74/528863674.db2.gz HPVQMTNDNYWELJ-CYBMUJFWSA-N 0 3 303.406 2.209 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)NCc2cccc(C#N)c2)C1 ZINC000444871025 528934139 /nfs/dbraw/zinc/93/41/39/528934139.db2.gz IGDDUMJKOOXXSM-UHFFFAOYSA-N 0 3 314.433 2.479 20 30 DEEDHN CCN1CCC(NC(=O)Nc2cn(C)nc2C(F)(F)F)CC1 ZINC000330884987 528959399 /nfs/dbraw/zinc/95/93/99/528959399.db2.gz PXYFKMWKVOLBRB-UHFFFAOYSA-N 0 3 319.331 2.249 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CC1 ZINC000358241770 535860334 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CC#CCN[C@]1(CO)CCCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001327608107 1148597825 /nfs/dbraw/zinc/59/78/25/1148597825.db2.gz UWPYGDMOMLVYCU-NKELODKYSA-N 0 3 320.477 2.169 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H]1CC1(C)C ZINC001368720188 1148613402 /nfs/dbraw/zinc/61/34/02/1148613402.db2.gz VELJYHUYFRUIFN-WDEREUQCSA-N 0 3 303.244 2.426 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001099106436 782185395 /nfs/dbraw/zinc/18/53/95/782185395.db2.gz FYGZSULMNOHLIM-OAHLLOKOSA-N 0 3 304.438 2.135 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001099106435 782185174 /nfs/dbraw/zinc/18/51/74/782185174.db2.gz FYGZSULMNOHLIM-HNNXBMFYSA-N 0 3 304.438 2.135 20 30 DEEDHN C#CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001330538142 1149183760 /nfs/dbraw/zinc/18/37/60/1149183760.db2.gz ZRCYGXJXBPYWAB-UHFFFAOYSA-N 0 3 301.409 2.175 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC000978655157 634384704 /nfs/dbraw/zinc/38/47/04/634384704.db2.gz 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C#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001023640186 625368227 /nfs/dbraw/zinc/36/82/27/625368227.db2.gz YWBJKPHCBLEXLT-HYVNUMGLSA-N 0 3 314.404 2.391 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001023680137 625385859 /nfs/dbraw/zinc/38/58/59/625385859.db2.gz SHLFEKBVCRGSEJ-HNNXBMFYSA-N 0 3 323.396 2.417 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000972638865 625387791 /nfs/dbraw/zinc/38/77/91/625387791.db2.gz XSLRBDKDVVKCCT-HNNXBMFYSA-N 0 3 315.417 2.345 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001023700110 625393553 /nfs/dbraw/zinc/39/35/53/625393553.db2.gz BTYMSSZHHGARSI-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001025389924 625397981 /nfs/dbraw/zinc/39/79/81/625397981.db2.gz GQUGJDOQVKVPKA-UARNIUSMSA-N 0 3 320.824 2.469 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2sc(COC)nc2C)C1 ZINC001023724486 625401910 /nfs/dbraw/zinc/40/19/10/625401910.db2.gz GATXMFHPTAJUFB-ZDUSSCGKSA-N 0 3 323.462 2.226 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c(F)cccc2F)C[C@@H]1C ZINC000947666303 625409780 /nfs/dbraw/zinc/40/97/80/625409780.db2.gz DFTRYTBBNGZEQF-KBPBESRZSA-N 0 3 320.383 2.500 20 30 DEEDHN CC(C)(C)N1CCC(=NNS(=O)(=O)c2ccccc2)CC1 ZINC000060798868 625415253 /nfs/dbraw/zinc/41/52/53/625415253.db2.gz XMSGHLYWNWIVQC-UHFFFAOYSA-N 0 3 309.435 2.215 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3cnccc32)C1 ZINC001023750139 625422044 /nfs/dbraw/zinc/42/20/44/625422044.db2.gz GGDQVVSBEWTJFL-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001025420029 625417979 /nfs/dbraw/zinc/41/79/79/625417979.db2.gz RLSCHBXNVFMSIM-LSDHHAIUSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001023772007 625431955 /nfs/dbraw/zinc/43/19/55/625431955.db2.gz XKXWGPHYEHXOIF-XJKSGUPXSA-N 0 3 316.832 2.441 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2csc(C3CC3)n2)C1 ZINC001023771762 625431962 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C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001025464315 625459095 /nfs/dbraw/zinc/45/90/95/625459095.db2.gz HXHIAPDPHKQNMC-ZIAGYGMSSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001025474455 625466607 /nfs/dbraw/zinc/46/66/07/625466607.db2.gz LDUWKCCQIPMKOH-PBHICJAKSA-N 0 3 311.429 2.423 20 30 DEEDHN C=C(C)C[NH2+]C1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001026500154 625485850 /nfs/dbraw/zinc/48/58/50/625485850.db2.gz IXXAMICOJJJQFO-UHFFFAOYSA-N 0 3 313.405 2.165 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C(C)C)no2)C1 ZINC001025546448 625532949 /nfs/dbraw/zinc/53/29/49/625532949.db2.gz QESSMOPBJFLGJX-KBPBESRZSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnn(CC)c2C)C1 ZINC001025573404 625576746 /nfs/dbraw/zinc/57/67/46/625576746.db2.gz LLVAQTWHVITWBC-ZBFHGGJFSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000969111863 622564791 /nfs/dbraw/zinc/56/47/91/622564791.db2.gz 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625603600 /nfs/dbraw/zinc/60/36/00/625603600.db2.gz AQVHHTARIJAFRL-UHFFFAOYSA-N 0 3 314.216 2.261 20 30 DEEDHN N#CC(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccc2ccccc2n1 ZINC000892425352 625605255 /nfs/dbraw/zinc/60/52/55/625605255.db2.gz ARDNWYQBYAKFHG-BFHYXJOUSA-N 0 3 307.353 2.313 20 30 DEEDHN CC(C)(F)C(=O)N1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001026637150 625605434 /nfs/dbraw/zinc/60/54/34/625605434.db2.gz FMVUBGLAJVRWBF-LBPRGKRZSA-N 0 3 321.371 2.384 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC000969824436 622935440 /nfs/dbraw/zinc/93/54/40/622935440.db2.gz CUSBKWAGIFBGJU-SNVBAGLBSA-N 0 3 320.824 2.014 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3cnc(C)nc3)C2)CC1 ZINC000969830260 622937501 /nfs/dbraw/zinc/93/75/01/622937501.db2.gz HBNHTXNUTYIGKZ-QGZVFWFLSA-N 0 3 314.433 2.222 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC000969830430 622937938 /nfs/dbraw/zinc/93/79/38/622937938.db2.gz LRCAXCPMGNWLNE-WBVHZDCISA-N 0 3 304.438 2.021 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C3CC3)nn2CC)C1 ZINC000969922743 622997289 /nfs/dbraw/zinc/99/72/89/622997289.db2.gz OBCBSSZQQRGRBD-ZDUSSCGKSA-N 0 3 316.449 2.407 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001025591381 625608966 /nfs/dbraw/zinc/60/89/66/625608966.db2.gz AZPNLBZPRHBPDB-KGLIPLIRSA-N 0 3 316.449 2.171 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(OC)cc2F)C1 ZINC000970068629 623093152 /nfs/dbraw/zinc/09/31/52/623093152.db2.gz UJFFGXUJGWHXSU-LBPRGKRZSA-N 0 3 306.381 2.461 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001020811642 623132332 /nfs/dbraw/zinc/13/23/32/623132332.db2.gz YWZDOULYEWZIHV-JOCQHMNTSA-N 0 3 310.829 2.204 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000970124873 623149429 /nfs/dbraw/zinc/14/94/29/623149429.db2.gz OXIGYIDYBLGDHL-GFCCVEGCSA-N 0 3 312.417 2.498 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000970130364 623158688 /nfs/dbraw/zinc/15/86/88/623158688.db2.gz 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C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000970824218 623725077 /nfs/dbraw/zinc/72/50/77/623725077.db2.gz GHEOCRADTBZDBE-CQSZACIVSA-N 0 3 313.445 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3[nH]ccc3c2)C[C@H]1C ZINC000947415828 623784138 /nfs/dbraw/zinc/78/41/38/623784138.db2.gz GOHSIWHUGGEYQA-CJNGLKHVSA-N 0 3 310.401 2.121 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC000970962522 623843182 /nfs/dbraw/zinc/84/31/82/623843182.db2.gz WMSFFFJBOXRHEZ-WBMJQRKESA-N 0 3 316.832 2.440 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C(C)C)on2)C1 ZINC001021643771 623894520 /nfs/dbraw/zinc/89/45/20/623894520.db2.gz ZZYKDTZDXABKRV-HOCLYGCPSA-N 0 3 315.417 2.358 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(C)n2)C1 ZINC001021660362 623914926 /nfs/dbraw/zinc/91/49/26/623914926.db2.gz YTFKTXKSNQMUIA-ZFWWWQNUSA-N 0 3 303.431 2.011 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ocnc2CC)C1 ZINC001021667969 623924273 /nfs/dbraw/zinc/92/42/73/623924273.db2.gz 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C=CCN(C)[C@H]1CCN(C(=O)c2ccnn2CC2CCC2)C1 ZINC000971545733 624185377 /nfs/dbraw/zinc/18/53/77/624185377.db2.gz ZCDKDFGUXLAEGG-HNNXBMFYSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(C3CCC3)cnn2C)C1 ZINC000971568536 624188561 /nfs/dbraw/zinc/18/85/61/624188561.db2.gz YWEZHYBMWGNQOK-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cn(CC)nc2C2CC2)C1 ZINC000971611994 624196998 /nfs/dbraw/zinc/19/69/98/624196998.db2.gz BELDBZXCTQDJMT-CQSZACIVSA-N 0 3 302.422 2.113 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001022146953 624478216 /nfs/dbraw/zinc/47/82/16/624478216.db2.gz MUFQVQMTOFVXPX-OKILXGFUSA-N 0 3 323.234 2.430 20 30 DEEDHN COc1ccc(F)cc1CN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000998745480 634391755 /nfs/dbraw/zinc/39/17/55/634391755.db2.gz IDZAWTWVSRUWBU-WFASDCNBSA-N 0 3 319.380 2.075 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998748969 634394729 /nfs/dbraw/zinc/39/47/29/634394729.db2.gz 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/nfs/dbraw/zinc/66/53/79/624665379.db2.gz ZYCQATYFPHWIRT-ZDUSSCGKSA-N 0 3 312.373 2.069 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000971882814 624684374 /nfs/dbraw/zinc/68/43/74/624684374.db2.gz XHKDERDDGCPHQB-INIZCTEOSA-N 0 3 314.433 2.014 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001022584786 624760387 /nfs/dbraw/zinc/76/03/87/624760387.db2.gz FUEHMVVOFSPHFY-AKJUYKBHSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001022585993 624761138 /nfs/dbraw/zinc/76/11/38/624761138.db2.gz YDZZZHZXJIKNBM-OKILXGFUSA-N 0 3 305.809 2.103 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)C1 ZINC000972045561 624793467 /nfs/dbraw/zinc/79/34/67/624793467.db2.gz OXDPPWIJYRWZAK-GJZGRUSLSA-N 0 3 318.417 2.181 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCc3cnoc3C)C2)CC1 ZINC001022656178 624798777 /nfs/dbraw/zinc/79/87/77/624798777.db2.gz WLZUKPUGTZMSJU-IYBDPMFKSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(F)ccc(F)c2OC)C1 ZINC000972063672 624812744 /nfs/dbraw/zinc/81/27/44/624812744.db2.gz LHEQGYWNPUYHTM-LLVKDONJSA-N 0 3 310.344 2.306 20 30 DEEDHN Cn1cc(CCC(=O)C(C#N)C(=O)NC2CC2)c2ccccc21 ZINC000120053742 624867266 /nfs/dbraw/zinc/86/72/66/624867266.db2.gz PACOIJPWIIPPHQ-OAHLLOKOSA-N 0 3 309.369 2.098 20 30 DEEDHN C=CC[C@H]1CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000934459024 624881873 /nfs/dbraw/zinc/88/18/73/624881873.db2.gz AWDAZCDLBYIGPE-DLBZAZTESA-N 0 3 301.434 2.056 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001022752690 624892610 /nfs/dbraw/zinc/89/26/10/624892610.db2.gz OPDPWQMOABSFSW-LJISPDSOSA-N 0 3 305.809 2.174 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000972297631 624919188 /nfs/dbraw/zinc/91/91/88/624919188.db2.gz TXADYXKAQOKSIL-MRXNPFEDSA-N 0 3 315.392 2.341 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3csc(Cl)c3)[C@@H]2C1 ZINC000978805556 634424796 /nfs/dbraw/zinc/42/47/96/634424796.db2.gz 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/nfs/dbraw/zinc/05/42/58/625054258.db2.gz GBRASBZOTBIXJM-GJZGRUSLSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001024794634 625059750 /nfs/dbraw/zinc/05/97/50/625059750.db2.gz OXQXGDXHURKDEU-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001020329013 625062515 /nfs/dbraw/zinc/06/25/15/625062515.db2.gz WGVWUFYTOOUQIL-XYPYZODXSA-N 0 3 319.218 2.414 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024837108 625074111 /nfs/dbraw/zinc/07/41/11/625074111.db2.gz OWOFJDQKAHDQHO-GOSISDBHSA-N 0 3 313.445 2.432 20 30 DEEDHN Cc1cc(CNC[C@H]2CCCCN2C(=O)[C@@H](C)C#N)sn1 ZINC001024899191 625100307 /nfs/dbraw/zinc/10/03/07/625100307.db2.gz RTUULVAKUWOOLM-WCQYABFASA-N 0 3 306.435 2.082 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC001022932798 625106817 /nfs/dbraw/zinc/10/68/17/625106817.db2.gz GJXHDOGTBIXFDL-TXEJJXNPSA-N 0 3 318.808 2.176 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001023128336 625164551 /nfs/dbraw/zinc/16/45/51/625164551.db2.gz ZZZTUWHPGQAKEL-PHIMTYICSA-N 0 3 313.854 2.237 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000972529256 625187775 /nfs/dbraw/zinc/18/77/75/625187775.db2.gz ICYUCXHCLRNYLV-KURKYZTESA-N 0 3 314.429 2.483 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCC[C@H]2CNCc2ccnn2C)C1 ZINC001025074871 625196044 /nfs/dbraw/zinc/19/60/44/625196044.db2.gz URYWSVYMOSFYPI-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000947662754 625199528 /nfs/dbraw/zinc/19/95/28/625199528.db2.gz MDSGNCZPPTVSJG-CZUORRHYSA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000972556068 625242235 /nfs/dbraw/zinc/24/22/35/625242235.db2.gz UOYMGGFPZOIPQP-ZBFHGGJFSA-N 0 3 300.402 2.271 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001023401982 625254158 /nfs/dbraw/zinc/25/41/58/625254158.db2.gz CHLZTQUSYVOVHW-OAHLLOKOSA-N 0 3 316.449 2.022 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnc3ccccc3n2)C1 ZINC001023416125 625259202 /nfs/dbraw/zinc/25/92/02/625259202.db2.gz SWXOTFVWZSHZOT-OAHLLOKOSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001023419956 625262118 /nfs/dbraw/zinc/26/21/18/625262118.db2.gz YCFGAESRPDVBQD-ZDUSSCGKSA-N 0 3 301.390 2.017 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1=COCCC1 ZINC001025208382 625265655 /nfs/dbraw/zinc/26/56/55/625265655.db2.gz USRIFGLPWRHGQN-IRXDYDNUSA-N 0 3 302.418 2.159 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001027695078 634449882 /nfs/dbraw/zinc/44/98/82/634449882.db2.gz NFBLTNZKMNTNTJ-GRTSSRMGSA-N 0 3 314.351 2.275 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001024447393 625771398 /nfs/dbraw/zinc/77/13/98/625771398.db2.gz VTZSCSCCYHUYHX-CQSZACIVSA-N 0 3 316.449 2.315 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001024440524 625777676 /nfs/dbraw/zinc/77/76/76/625777676.db2.gz QOVRLBOBXQDKEB-QGZVFWFLSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001024445043 625779019 /nfs/dbraw/zinc/77/90/19/625779019.db2.gz GOBYQMIHVMZIQB-OKZBNKHCSA-N 0 3 311.429 2.179 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001024454734 625784499 /nfs/dbraw/zinc/78/44/99/625784499.db2.gz HJBUMLHFORSSSF-AWEZNQCLSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001024522446 625835889 /nfs/dbraw/zinc/83/58/89/625835889.db2.gz GJLCMRMVMBJKQL-AWEZNQCLSA-N 0 3 316.449 2.449 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001024525797 625840806 /nfs/dbraw/zinc/84/08/06/625840806.db2.gz TYZBVCZIQOGMAU-CQSZACIVSA-N 0 3 302.422 2.141 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC001019926507 625854974 /nfs/dbraw/zinc/85/49/74/625854974.db2.gz UQNJWWHHEPIVGC-WKILWMFISA-N 0 3 313.401 2.104 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4cnccc4c3)[C@@H]2C1 ZINC000978940364 634458880 /nfs/dbraw/zinc/45/88/80/634458880.db2.gz MFAMWQSEYHALRG-LDLYASANSA-N 0 3 319.408 2.166 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001024556406 625876857 /nfs/dbraw/zinc/87/68/57/625876857.db2.gz GOBWCMIAVHEWSI-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490881 625886710 /nfs/dbraw/zinc/88/67/10/625886710.db2.gz YRAXVPDQHIMRTR-KWBADKCTSA-N 0 3 306.749 2.412 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H](C)CO1 ZINC000892494652 625891965 /nfs/dbraw/zinc/89/19/65/625891965.db2.gz FMWDJFIVMFFRFQ-LALPHHSUSA-N 0 3 316.357 2.158 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001024613334 625928169 /nfs/dbraw/zinc/92/81/69/625928169.db2.gz WUJLSZALOCZDDG-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001024613334 625928173 /nfs/dbraw/zinc/92/81/73/625928173.db2.gz WUJLSZALOCZDDG-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4c(s3)CCC4)[C@@H]2C1 ZINC000979046256 634489802 /nfs/dbraw/zinc/48/98/02/634489802.db2.gz OMHGIXYBWVQUEF-QKDCVEJESA-N 0 3 314.454 2.168 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4oc(C)nc43)[C@@H]2C1 ZINC000979119425 634507601 /nfs/dbraw/zinc/50/76/01/634507601.db2.gz SFQKPWJLBZRXCI-PHZGNYQRSA-N 0 3 323.396 2.067 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCc3cnc(C)cn3)C2)C1 ZINC000999371630 634577935 /nfs/dbraw/zinc/57/79/35/634577935.db2.gz BNHFOMQLJAKAKX-UHFFFAOYSA-N 0 3 314.433 2.220 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cc(C)n[nH]3)C[C@H]2C1 ZINC000979507429 634666939 /nfs/dbraw/zinc/66/69/39/634666939.db2.gz UJNNKEYCYZKCBY-MELADBBJSA-N 0 3 322.840 2.301 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC000999895074 634694145 /nfs/dbraw/zinc/69/41/45/634694145.db2.gz WAMRKBSFMABLGN-OAHLLOKOSA-N 0 3 302.422 2.078 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)Cc3ccon3)C[C@H]2C1 ZINC000979614189 634711812 /nfs/dbraw/zinc/71/18/12/634711812.db2.gz GDMVOXBIWZXUHW-IHRRRGAJSA-N 0 3 323.824 2.186 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3scnc3C)CC2)CC1 ZINC001000087443 634736009 /nfs/dbraw/zinc/73/60/09/634736009.db2.gz FXSUVLDANRYKQN-UHFFFAOYSA-N 0 3 317.458 2.449 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001000091273 634738040 /nfs/dbraw/zinc/73/80/40/634738040.db2.gz GQJAOQBCUQMETO-PBHICJAKSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3n[nH]cc3C)C[C@H]2C1 ZINC000979714758 634744743 /nfs/dbraw/zinc/74/47/43/634744743.db2.gz DZQQAZZAFRDYER-IHRRRGAJSA-N 0 3 322.840 2.301 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC001000104838 634747075 /nfs/dbraw/zinc/74/70/75/634747075.db2.gz ASPFRBANACTQQK-FVQHAEBGSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc[nH]c3C3CC3)CC2)CC1 ZINC001000243967 634822129 /nfs/dbraw/zinc/82/21/29/634822129.db2.gz LPIOYWFPYUTRSG-UHFFFAOYSA-N 0 3 311.429 2.500 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)Cc1ccccc1 ZINC000836277219 650074094 /nfs/dbraw/zinc/07/40/94/650074094.db2.gz KIJAXEZCZNEBPW-QGZVFWFLSA-N 0 3 301.434 2.262 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnn(CCC)c1C ZINC001024728794 632950026 /nfs/dbraw/zinc/95/00/26/632950026.db2.gz ZJIMEQNCQBDCBV-INIZCTEOSA-N 0 3 316.449 2.209 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001028231384 635929259 /nfs/dbraw/zinc/92/92/59/635929259.db2.gz MFOGRKYLIRKGOZ-OAHLLOKOSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974742037 633282474 /nfs/dbraw/zinc/28/24/74/633282474.db2.gz KWZAAQMVIGDCKZ-GOEBONIOSA-N 0 3 316.449 2.163 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000974808651 633308933 /nfs/dbraw/zinc/30/89/33/633308933.db2.gz PUDPGOOZBJYEAF-LSDHHAIUSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(C)n3ccccc23)C(C)(C)C1 ZINC000974819703 633315818 /nfs/dbraw/zinc/31/58/18/633315818.db2.gz OTPXECTXUMUYRK-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001026988567 633333912 /nfs/dbraw/zinc/33/39/12/633333912.db2.gz KAMOXQOENHDVMO-GXTWGEPZSA-N 0 3 319.453 2.215 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001026992647 633339101 /nfs/dbraw/zinc/33/91/01/633339101.db2.gz QYXTWKBBFHXVIO-AWEZNQCLSA-N 0 3 304.438 2.053 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001008746917 633356251 /nfs/dbraw/zinc/35/62/51/633356251.db2.gz IIGBFKVJSUVNCZ-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnc3ccncc32)C(C)(C)C1 ZINC000974898238 633362960 /nfs/dbraw/zinc/36/29/60/633362960.db2.gz QPFJNPXDWWQOTR-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(OC)cn2)C(C)(C)C1 ZINC000974952717 633378991 /nfs/dbraw/zinc/37/89/91/633378991.db2.gz DQMPLICFMDGSKV-INIZCTEOSA-N 0 3 317.433 2.035 20 30 DEEDHN Cc1cccc(O[C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000124479711 633386740 /nfs/dbraw/zinc/38/67/40/633386740.db2.gz HRAMMXWQCTVZSA-HIFRSBDPSA-N 0 3 300.358 2.094 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3ccccn3c2)C(C)(C)C1 ZINC000975111168 633422295 /nfs/dbraw/zinc/42/22/95/633422295.db2.gz OPDHHKKXRQTYDS-KRWDZBQOSA-N 0 3 309.413 2.403 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001008898227 633452977 /nfs/dbraw/zinc/45/29/77/633452977.db2.gz HFXIJPUMFQKZMN-OAHLLOKOSA-N 0 3 304.438 2.290 20 30 DEEDHN C#CCNC(=S)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000840768552 633489164 /nfs/dbraw/zinc/48/91/64/633489164.db2.gz VSGFIIHVGOHVGO-CQSZACIVSA-N 0 3 307.488 2.109 20 30 DEEDHN COc1ccc(CN(C)[C@@H]2CCCN(C(C)=O)C2)cc1C#N ZINC001027255872 633522818 /nfs/dbraw/zinc/52/28/18/633522818.db2.gz QRLSVRMFLMQIAG-MRXNPFEDSA-N 0 3 301.390 2.010 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3cnc(C)o3)CC2)C1 ZINC000996974469 633550227 /nfs/dbraw/zinc/55/02/27/633550227.db2.gz RJQDUFRVAUAHTP-UHFFFAOYSA-N 0 3 303.406 2.420 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccncc2F)CC1 ZINC000996998307 633556815 /nfs/dbraw/zinc/55/68/15/633556815.db2.gz KAELGSOSYWKOLX-CYBMUJFWSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccnc(CCC)c2)CC1 ZINC000997149537 633640313 /nfs/dbraw/zinc/64/03/13/633640313.db2.gz PJEIODXQAKZIMG-OAHLLOKOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3ncn(C)c32)CC1 ZINC000997186426 633670950 /nfs/dbraw/zinc/67/09/50/633670950.db2.gz JTHYOPBGYQOHAR-CQSZACIVSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3ccncc3n2)CC1 ZINC000997218344 633678999 /nfs/dbraw/zinc/67/89/99/633678999.db2.gz ADNSFXXCHOGEGK-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ncc(Cl)s2)CC1 ZINC000997221015 633679950 /nfs/dbraw/zinc/67/99/50/633679950.db2.gz KWWPZAWKHVSQEF-SNVBAGLBSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2csc([C@H](C)OC)n2)C1 ZINC001027411283 633749079 /nfs/dbraw/zinc/74/90/79/633749079.db2.gz OCWAICAFNZYYSC-QWHCGFSZSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3scnc32)C1 ZINC001027413099 633752893 /nfs/dbraw/zinc/75/28/93/633752893.db2.gz JBNNTAFHVWZHFO-ZDUSSCGKSA-N 0 3 313.426 2.466 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(Cl)no2)CC1 ZINC000997403732 633754548 /nfs/dbraw/zinc/75/45/48/633754548.db2.gz YVLVWHCZIAWJPR-LLVKDONJSA-N 0 3 309.797 2.182 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc(CC)s2)CC1 ZINC000997438216 633756970 /nfs/dbraw/zinc/75/69/70/633756970.db2.gz CRXWMZKVFATKFO-GFCCVEGCSA-N 0 3 305.447 2.169 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3nccnc3c2)CC1 ZINC000997418132 633758630 /nfs/dbraw/zinc/75/86/30/633758630.db2.gz PPZLRFYLMCUWOG-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000997418882 633759160 /nfs/dbraw/zinc/75/91/60/633759160.db2.gz ZMBBRDSZUBRYCF-GFCCVEGCSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c(C)onc2CC)CC1 ZINC000997419514 633759922 /nfs/dbraw/zinc/75/99/22/633759922.db2.gz AGZZSPCUFZAYQZ-CYBMUJFWSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2scnc2Cl)CC1 ZINC000997427016 633761504 /nfs/dbraw/zinc/76/15/04/633761504.db2.gz MMQQEMVYLDGQEP-SNVBAGLBSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2scnc2C(F)F)C1 ZINC001027487496 633875320 /nfs/dbraw/zinc/87/53/20/633875320.db2.gz VQGRKXYJYWPNLK-SNVBAGLBSA-N 0 3 313.373 2.250 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001027488905 633877909 /nfs/dbraw/zinc/87/79/09/633877909.db2.gz HJWSPJNAYCVGGB-ZDUSSCGKSA-N 0 3 303.406 2.142 20 30 DEEDHN Cc1nc(CNCC2CCN(C(=O)[C@@H](C)C#N)CC2)c(C)s1 ZINC000997622310 633901915 /nfs/dbraw/zinc/90/19/15/633901915.db2.gz AKVVLZNMFATTNY-NSHDSACASA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nccc3cccnc32)CC1 ZINC000997620275 633902959 /nfs/dbraw/zinc/90/29/59/633902959.db2.gz JWNRDWUFALQKOD-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(OC)cc2F)CC1 ZINC000997660622 633913984 /nfs/dbraw/zinc/91/39/84/633913984.db2.gz XOCIYRLIHIZLKC-ZDUSSCGKSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3nccn3c2)C(C)(C)C1 ZINC000977450673 633991533 /nfs/dbraw/zinc/99/15/33/633991533.db2.gz NYTUWPKGVFUHIB-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc3ccsc3c2)C1 ZINC001027523527 633994325 /nfs/dbraw/zinc/99/43/25/633994325.db2.gz IPLRZJKGYQQESK-CQSZACIVSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC000997849176 634008546 /nfs/dbraw/zinc/00/85/46/634008546.db2.gz LYENMZVVFGARDC-AWEZNQCLSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn3c(cccc3C)n2)C(C)(C)C1 ZINC000977565781 634049076 /nfs/dbraw/zinc/04/90/76/634049076.db2.gz CVWSWHDPHDPADP-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN N#Cc1ccccc1CNCC1CCN(C(=O)c2cnco2)CC1 ZINC000997950861 634075820 /nfs/dbraw/zinc/07/58/20/634075820.db2.gz CQHYPQGWKFVHMT-UHFFFAOYSA-N 0 3 324.384 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977655969 634083401 /nfs/dbraw/zinc/08/34/01/634083401.db2.gz ARUSKQDQBMDDKN-GOEBONIOSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977655971 634084158 /nfs/dbraw/zinc/08/41/58/634084158.db2.gz ARUSKQDQBMDDKN-HOCLYGCPSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2csnc2C)CC1 ZINC000997975371 634088728 /nfs/dbraw/zinc/08/87/28/634088728.db2.gz IWWYHMBFIBPHLZ-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2CCC(O)CC2)CC1 ZINC000997989536 634097727 /nfs/dbraw/zinc/09/77/27/634097727.db2.gz FXPHCGOPIAHMRK-ADKAHSJRSA-N 0 3 320.477 2.264 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cn(CC)cn2)CC1 ZINC000998177271 634161442 /nfs/dbraw/zinc/16/14/42/634161442.db2.gz RGESNRJKJRBFCR-MRXNPFEDSA-N 0 3 316.449 2.243 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CSC)CC[C@@H]1C(F)(F)F ZINC000998216091 634171232 /nfs/dbraw/zinc/17/12/32/634171232.db2.gz DTBPQYJPIPNEBZ-WDEREUQCSA-N 0 3 310.385 2.295 20 30 DEEDHN 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C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028092211 635470847 /nfs/dbraw/zinc/47/08/47/635470847.db2.gz NSTISVQDVNCKJR-GOEBONIOSA-N 0 3 312.413 2.400 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nn(C)c3ccccc32)CC1 ZINC001001380530 635483342 /nfs/dbraw/zinc/48/33/42/635483342.db2.gz HAXNYHYMSKRKIM-UHFFFAOYSA-N 0 3 310.401 2.121 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccnn2[C@H](C)CC)CC1 ZINC001001449327 635507883 /nfs/dbraw/zinc/50/78/83/635507883.db2.gz STQCXOQRUAXQSX-OAHLLOKOSA-N 0 3 316.449 2.319 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc3cc(C)cn3c2)CC1 ZINC001001475002 635515498 /nfs/dbraw/zinc/51/54/98/635515498.db2.gz NNLMPEUDKLZYTQ-UHFFFAOYSA-N 0 3 309.413 2.323 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001001595409 635530345 /nfs/dbraw/zinc/53/03/45/635530345.db2.gz POMUJSIFJCNPRW-UHFFFAOYSA-N 0 3 311.429 2.424 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2scnc2C(F)F)CC1 ZINC001001621529 635533629 /nfs/dbraw/zinc/53/36/29/635533629.db2.gz ZWVVLENFXRJFSY-UHFFFAOYSA-N 0 3 313.373 2.156 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001001786581 635553000 /nfs/dbraw/zinc/55/30/00/635553000.db2.gz SAONDXGLDVITFP-IRXDYDNUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CC23CC(OCC)C3)CC1 ZINC001001826230 635556667 /nfs/dbraw/zinc/55/66/67/635556667.db2.gz SYHOLOMHNKTNLQ-TVRKMHQQSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001028110220 635570452 /nfs/dbraw/zinc/57/04/52/635570452.db2.gz BGUJKLRWJKJHQO-HNNXBMFYSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC001001905270 635579421 /nfs/dbraw/zinc/57/94/21/635579421.db2.gz SZQHFOUZJOJPHV-UHFFFAOYSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC001001934016 635583424 /nfs/dbraw/zinc/58/34/24/635583424.db2.gz KWWZKZUBXOMQIQ-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC000981688234 635589509 /nfs/dbraw/zinc/58/95/09/635589509.db2.gz VFOHQRNNSFANRX-UHFFFAOYSA-N 0 3 316.449 2.462 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC000981684395 635592577 /nfs/dbraw/zinc/59/25/77/635592577.db2.gz HGQWAQYWRMCWSU-OAHLLOKOSA-N 0 3 304.438 2.024 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000981713230 635604416 /nfs/dbraw/zinc/60/44/16/635604416.db2.gz HJPCEYTXYZBHPP-UHFFFAOYSA-N 0 3 324.856 2.496 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC001002102210 635619702 /nfs/dbraw/zinc/61/97/02/635619702.db2.gz KKYCYMPLHRWZHG-UHFFFAOYSA-N 0 3 306.356 2.430 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2occ3c2CCCC3)CC1 ZINC001002083097 635621154 /nfs/dbraw/zinc/62/11/54/635621154.db2.gz UHLNDNBFZKZYNL-UHFFFAOYSA-N 0 3 300.402 2.233 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ncoc2[C@H]2CCCO2)CC1 ZINC000981746686 635629070 /nfs/dbraw/zinc/62/90/70/635629070.db2.gz LJEWJHFZOZZRIM-CQSZACIVSA-N 0 3 319.405 2.250 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC001002162580 635630606 /nfs/dbraw/zinc/63/06/06/635630606.db2.gz TUNXADFHFAWTRY-DLBZAZTESA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc4cc(C)ccn34)C2)C1 ZINC000981783885 635650922 /nfs/dbraw/zinc/65/09/22/635650922.db2.gz GGNQIUBCPKGFIL-UHFFFAOYSA-N 0 3 324.428 2.367 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)C2)C1 ZINC000981807122 635664147 /nfs/dbraw/zinc/66/41/47/635664147.db2.gz WEKZMBBDPDKJPP-HZPDHXFCSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc4ccccc4nn3)C2)C1 ZINC000981927503 635736138 /nfs/dbraw/zinc/73/61/38/635736138.db2.gz WYOVMVBDKCDJRR-UHFFFAOYSA-N 0 3 322.412 2.354 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001028177324 635777104 /nfs/dbraw/zinc/77/71/04/635777104.db2.gz CEHQTBVUNPZWIC-CQSZACIVSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CCc3cc(C)on3)C2)C1 ZINC000982005448 635806419 /nfs/dbraw/zinc/80/64/19/635806419.db2.gz PUICSDQCHKGCCQ-UHFFFAOYSA-N 0 3 303.406 2.026 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001028203497 635819442 /nfs/dbraw/zinc/81/94/42/635819442.db2.gz 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C=CCN1CCC(NC(=O)c2c(F)cc(OC)cc2F)CC1 ZINC001003675274 636023783 /nfs/dbraw/zinc/02/37/83/636023783.db2.gz CWECEXWCYRJTRM-UHFFFAOYSA-N 0 3 310.344 2.354 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC001028298319 636117413 /nfs/dbraw/zinc/11/74/13/636117413.db2.gz RWKWLCBHDAUPNP-CQSZACIVSA-N 0 3 312.369 2.173 20 30 DEEDHN CS(=O)(=O)c1ccccc1CCNCc1csc(C#N)c1 ZINC000922683637 636318129 /nfs/dbraw/zinc/31/81/29/636318129.db2.gz YYRJHCPRNXLJJN-UHFFFAOYSA-N 0 3 320.439 2.356 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC3(F)F)C2)cc1 ZINC001028532698 636324376 /nfs/dbraw/zinc/32/43/76/636324376.db2.gz UBDHEWYIYBAMMN-GJZGRUSLSA-N 0 3 319.355 2.152 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001028536133 636328575 /nfs/dbraw/zinc/32/85/75/636328575.db2.gz MSNZJYSGIKEMKF-RBSFLKMASA-N 0 3 302.443 2.231 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(C(F)F)c2F)C1 ZINC001028545225 636334243 /nfs/dbraw/zinc/33/42/43/636334243.db2.gz PAYVESPRDIHQCY-LLVKDONJSA-N 0 3 310.319 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CCCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CCN(C)C1 ZINC000843988363 651058647 /nfs/dbraw/zinc/05/86/47/651058647.db2.gz JEVXRIGWXIAKPE-MRXNPFEDSA-N 0 3 315.417 2.074 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnn1CCN(C)C ZINC000912281507 646007355 /nfs/dbraw/zinc/00/73/55/646007355.db2.gz QFKHZXROEMBNJN-GJZGRUSLSA-N 0 3 304.438 2.309 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)/C=C/C(=O)c2ccc(C)cc2)C1 ZINC000912683783 646135991 /nfs/dbraw/zinc/13/59/91/646135991.db2.gz NUEIKBYLDXLKQL-ROJDOSBLSA-N 0 3 300.402 2.334 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)C(=O)OC3)CC1 ZINC000808881659 646154051 /nfs/dbraw/zinc/15/40/51/646154051.db2.gz MVEBDIVBTBFXJZ-UHFFFAOYSA-N 0 3 315.373 2.129 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCCC(=O)N1)c1ccc2ccccc2n1 ZINC000808979067 646163953 /nfs/dbraw/zinc/16/39/53/646163953.db2.gz UYOKQQFLRYOMCD-UONOGXRCSA-N 0 3 307.353 2.470 20 30 DEEDHN C=CCOc1ccc(OS(=O)(=O)CCN(CC)CC)cc1 ZINC000810054391 646317450 /nfs/dbraw/zinc/31/74/50/646317450.db2.gz QVPVPYDKILVANT-UHFFFAOYSA-N 0 3 313.419 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C#CCN1CC[C@@]2(NC(=O)c3cc(C)cc4c[nH]nc43)CCC[C@@H]12 ZINC000992332728 646949583 /nfs/dbraw/zinc/94/95/83/646949583.db2.gz UGSVTLCOXVJOMK-APWZRJJASA-N 0 3 322.412 2.231 20 30 DEEDHN COc1ccc(C(C)=NNC[C@@H](C)O)cc1CN1CCCCC1 ZINC000814961530 646952394 /nfs/dbraw/zinc/95/23/94/646952394.db2.gz LTSKAYNBYFOHSZ-CQSZACIVSA-N 0 3 319.449 2.376 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc4c([nH]3)CCC4)CCC[C@H]12 ZINC000992393985 646967934 /nfs/dbraw/zinc/96/79/34/646967934.db2.gz AIAAAIUCLYTYDF-HKUYNNGSSA-N 0 3 311.429 2.254 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3nnn(C(C)C)c3C)CCC[C@@H]12 ZINC000992396022 646970414 /nfs/dbraw/zinc/97/04/14/646970414.db2.gz UAEPNWVEWZFBLB-PBHICJAKSA-N 0 3 317.437 2.080 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3conc3COC)CCC[C@@H]12 ZINC000992417713 646989814 /nfs/dbraw/zinc/98/98/14/646989814.db2.gz QUENOOBYGVZWIR-NVXWUHKLSA-N 0 3 319.405 2.124 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000913814210 647054575 /nfs/dbraw/zinc/05/45/75/647054575.db2.gz QHNOKSPETSQPCE-RPWXLUQDSA-N 0 3 301.434 2.402 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc(C)s3)CCC[C@@H]12 ZINC000992506067 647077952 /nfs/dbraw/zinc/07/79/52/647077952.db2.gz IZTNGRNLKHPJRV-WBVHZDCISA-N 0 3 302.443 2.345 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3ccc(C)nc3)CCC[C@@H]12 ZINC000992506652 647078343 /nfs/dbraw/zinc/07/83/43/647078343.db2.gz UFFYYKHXKTXSFA-IEBWSBKVSA-N 0 3 311.429 2.069 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(F)ccc3C#N)[C@@H]2C1 ZINC000992528630 647091367 /nfs/dbraw/zinc/09/13/67/647091367.db2.gz NGKITXBKNZCKKM-BMGDILEWSA-N 0 3 315.392 2.434 20 30 DEEDHN CN1C[C@H]2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000816951829 647204875 /nfs/dbraw/zinc/20/48/75/647204875.db2.gz WYAQYDZEZCIISE-HIFRSBDPSA-N 0 3 322.330 2.219 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H]1C ZINC000993119554 647416084 /nfs/dbraw/zinc/41/60/84/647416084.db2.gz HHXZJAZUFSWYCB-QWHCGFSZSA-N 0 3 310.829 2.362 20 30 DEEDHN N#CC(C(=O)COc1ccc(F)cc1Cl)C(=O)N1CCCC1 ZINC000193356688 647478808 /nfs/dbraw/zinc/47/88/08/647478808.db2.gz FOPGMZNJGLWLSR-NSHDSACASA-N 0 3 324.739 2.189 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1N ZINC000818556831 647478874 /nfs/dbraw/zinc/47/88/74/647478874.db2.gz LHHRFRIBBRCARJ-SNVBAGLBSA-N 0 3 300.284 2.247 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(Cl)nc(NC)c2)CC1 ZINC000732289870 647558642 /nfs/dbraw/zinc/55/86/42/647558642.db2.gz YIMDAEFVNAZEGN-UHFFFAOYSA-N 0 3 308.813 2.157 20 30 DEEDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@H](O)c1ccc(C#N)cc1 ZINC000819083271 647580107 /nfs/dbraw/zinc/58/01/07/647580107.db2.gz YVWMHRHOLZGWQC-WMZOPIPTSA-N 0 3 308.385 2.357 20 30 DEEDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819083270 647580187 /nfs/dbraw/zinc/58/01/87/647580187.db2.gz YVWMHRHOLZGWQC-SJLPKXTDSA-N 0 3 308.385 2.357 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(C3CCC3)c2)[C@H]1C ZINC000993324346 647604874 /nfs/dbraw/zinc/60/48/74/647604874.db2.gz FWEOPVFEFOZMPP-PBHICJAKSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H]1C ZINC000993346396 647622244 /nfs/dbraw/zinc/62/22/44/647622244.db2.gz NZPITAGJADJYGH-GJZGRUSLSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccnn2CC(C)C)[C@H]1C ZINC000993373047 647634980 /nfs/dbraw/zinc/63/49/80/647634980.db2.gz BKGUZLSGYPTAGJ-CVEARBPZSA-N 0 3 316.449 2.145 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2CCCN(CC3CC(F)(F)C3)C2)c[nH]1 ZINC001007153645 647680280 /nfs/dbraw/zinc/68/02/80/647680280.db2.gz BMIPZWWFROQWIN-ZDUSSCGKSA-N 0 3 322.359 2.126 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C2CCOCC2)[C@H]1C ZINC000993579892 647696844 /nfs/dbraw/zinc/69/68/44/647696844.db2.gz ZMAOKODRVFZWLR-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2c(C)cc(=O)oc2C)[C@H]1C ZINC000993560293 647700760 /nfs/dbraw/zinc/70/07/60/647700760.db2.gz HSESOALIFUFUHN-TZMCWYRMSA-N 0 3 304.390 2.025 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H]1C ZINC000993566029 647702051 /nfs/dbraw/zinc/70/20/51/647702051.db2.gz JWBJETCMUBKBBL-ZIAGYGMSSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc3ccc(C)cn32)[C@H]1C ZINC000993593128 647710937 /nfs/dbraw/zinc/71/09/37/647710937.db2.gz RUWKBHDOHFMTRM-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccnc3ccncc32)[C@@H]1C ZINC000993630199 647719022 /nfs/dbraw/zinc/71/90/22/647719022.db2.gz KSWZECAVBRASIQ-WMLDXEAASA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C3CC3)CCOCC2)[C@@H]1C ZINC000993634285 647719722 /nfs/dbraw/zinc/71/97/22/647719722.db2.gz PWHVUAGVRIBPOP-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN CC(C)[C@H](Cc1ccccc1)NN=C1CCN(CCO)CC1 ZINC000819809393 647729363 /nfs/dbraw/zinc/72/93/63/647729363.db2.gz GIVBJTLRLIUYNG-SFHVURJKSA-N 0 3 303.450 2.287 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@H]1C ZINC000993851057 647755964 /nfs/dbraw/zinc/75/59/64/647755964.db2.gz XBRJPVMRCVNJCA-PBHICJAKSA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1C ZINC000994166550 647798252 /nfs/dbraw/zinc/79/82/52/647798252.db2.gz KZBOWEONNUWSHQ-ZBFHGGJFSA-N 0 3 313.445 2.500 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccc(F)cc1)CCO2 ZINC000949008845 647836675 /nfs/dbraw/zinc/83/66/75/647836675.db2.gz OKEDFGOVXHXNPW-UHFFFAOYSA-N 0 3 318.392 2.319 20 30 DEEDHN C#C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(F)cc1 ZINC000820489635 647856036 /nfs/dbraw/zinc/85/60/36/647856036.db2.gz HLFMFAFKUBPKLZ-IRXDYDNUSA-N 0 3 313.376 2.156 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCn1nc(C)cc1C ZINC000916876177 647936883 /nfs/dbraw/zinc/93/68/83/647936883.db2.gz RJJLEJLZBFBPBU-OAHLLOKOSA-N 0 3 318.421 2.295 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916872721 647938385 /nfs/dbraw/zinc/93/83/85/647938385.db2.gz ITSZLVRDSVNEIK-LLVKDONJSA-N 0 3 304.337 2.062 20 30 DEEDHN N#CC(C(=O)COCC1CC1)C(=O)Nc1ccccc1Cl ZINC000916909430 647941382 /nfs/dbraw/zinc/94/13/82/647941382.db2.gz BCWRGRDWHCRPFS-NSHDSACASA-N 0 3 306.749 2.414 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000917041010 647957360 /nfs/dbraw/zinc/95/73/60/647957360.db2.gz FJAHHFJEPLRIRN-HIFRSBDPSA-N 0 3 314.410 2.471 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C)noc2CC)CC1 ZINC000917097895 647967540 /nfs/dbraw/zinc/96/75/40/647967540.db2.gz MPPOAOYMZHOOCX-UHFFFAOYSA-N 0 3 320.437 2.385 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CCC3(CCC3)O2)CC1 ZINC000917142115 647975551 /nfs/dbraw/zinc/97/55/51/647975551.db2.gz QQLGOBPSDCHPRR-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCn1cc(Cl)cn1 ZINC000917425716 648001047 /nfs/dbraw/zinc/00/10/47/648001047.db2.gz ZPIXVVHWMQQKPJ-CYBMUJFWSA-N 0 3 324.812 2.332 20 30 DEEDHN C#CCN(C(=O)NC/C=C/c1ccccc1)C1CCN(C)CC1 ZINC000918343015 648071521 /nfs/dbraw/zinc/07/15/21/648071521.db2.gz JLMXOVMHDQIQTE-JXMROGBWSA-N 0 3 311.429 2.439 20 30 DEEDHN C#CCN(C(=O)NCc1c(C)cccc1F)C1CCN(C)CC1 ZINC000920667422 648243363 /nfs/dbraw/zinc/24/33/63/648243363.db2.gz RLRUFBVQCBUEPM-UHFFFAOYSA-N 0 3 317.408 2.373 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000823262411 648384781 /nfs/dbraw/zinc/38/47/81/648384781.db2.gz UJOWOBLGOLEEFZ-KRWDZBQOSA-N 0 3 312.413 2.397 20 30 DEEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@@H](C(N)=O)C1 ZINC000825280235 648735908 /nfs/dbraw/zinc/73/59/08/648735908.db2.gz ZNOIBEBKUSWFIM-NEPJUHHUSA-N 0 3 306.793 2.096 20 30 DEEDHN COc1cc(C(=O)N(CCN(C)C)CC(C)C)ccc1C#N ZINC000826538408 648875052 /nfs/dbraw/zinc/87/50/52/648875052.db2.gz CWKPAWJOPBSBME-UHFFFAOYSA-N 0 3 303.406 2.227 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182338545 648879634 /nfs/dbraw/zinc/87/96/34/648879634.db2.gz YPICIYFJFJNPGL-CYBMUJFWSA-N 0 3 304.390 2.252 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000940722322 648933166 /nfs/dbraw/zinc/93/31/66/648933166.db2.gz VSUYCKAYTICBJW-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@@](CO)(OC)C2)cc1 ZINC000826952421 648952192 /nfs/dbraw/zinc/95/21/92/648952192.db2.gz KMSNWAMKHHCOBI-GOSISDBHSA-N 0 3 303.402 2.062 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](CNCc3nccn3C)C2)C1 ZINC000995106292 648952957 /nfs/dbraw/zinc/95/29/57/648952957.db2.gz XRZUWQJGJNKZLP-HUUCEWRRSA-N 0 3 316.449 2.151 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000940885422 648962548 /nfs/dbraw/zinc/96/25/48/648962548.db2.gz BNPFOZWNDKKOHD-INIZCTEOSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C(C)(C)C1 ZINC000940906220 648965849 /nfs/dbraw/zinc/96/58/49/648965849.db2.gz XUNZQPLMLAZHAK-OWCLPIDISA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2occc2CN(C)C)C(C)(C)C1 ZINC000940991934 648983541 /nfs/dbraw/zinc/98/35/41/648983541.db2.gz UCIIWVVGKQVTGF-OAHLLOKOSA-N 0 3 319.449 2.358 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)nc(C)n2)C(C)(C)C1 ZINC000941094168 649003068 /nfs/dbraw/zinc/00/30/68/649003068.db2.gz ZGASLJRCYUDBPF-OAHLLOKOSA-N 0 3 302.422 2.110 20 30 DEEDHN C#Cc1cnc(NCC2(N3CCSCC3)CCCC2)nc1 ZINC000827390078 649028225 /nfs/dbraw/zinc/02/82/25/649028225.db2.gz LUGGYNAKFYODDX-UHFFFAOYSA-N 0 3 302.447 2.231 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000827426361 649032861 /nfs/dbraw/zinc/03/28/61/649032861.db2.gz WNWLDOULHAQWKV-AWEZNQCLSA-N 0 3 304.369 2.386 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2F)C[C@H]1C ZINC000947328351 649105552 /nfs/dbraw/zinc/10/55/52/649105552.db2.gz QNTIMHMQAYKKCI-DOMZBBRYSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H](C)C1 ZINC000942042989 649140475 /nfs/dbraw/zinc/14/04/75/649140475.db2.gz XBRDBGUQFUPSPM-CABCVRRESA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@H](C)C1 ZINC000942052320 649143006 /nfs/dbraw/zinc/14/30/06/649143006.db2.gz FDDLNOKHDYRITF-CZUORRHYSA-N 0 3 302.422 2.234 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@H](C)C1 ZINC000942076041 649151346 /nfs/dbraw/zinc/15/13/46/649151346.db2.gz KZSNXNFLOLITPB-OCCSQVGLSA-N 0 3 306.381 2.461 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@@H](C)C1 ZINC000942127166 649162710 /nfs/dbraw/zinc/16/27/10/649162710.db2.gz PBHRGXHLBXPWEP-VHSXEESVSA-N 0 3 316.327 2.055 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3cccnc3s2)[C@@H](C)C1 ZINC000942134870 649167109 /nfs/dbraw/zinc/16/71/09/649167109.db2.gz QKUUEMZSMQRREI-RYUDHWBXSA-N 0 3 316.430 2.318 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)(F)F)no2)[C@H](C)C1 ZINC000942158460 649171347 /nfs/dbraw/zinc/17/13/47/649171347.db2.gz ZXXSORHEIHMUAF-ZJUUUORDSA-N 0 3 317.311 2.320 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(F)F)ncn2)[C@@H](C)C1 ZINC000942176423 649175865 /nfs/dbraw/zinc/17/58/65/649175865.db2.gz PFZALOKNIXYQLF-WDEREUQCSA-N 0 3 310.348 2.040 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](C)C1 ZINC000942183514 649177308 /nfs/dbraw/zinc/17/73/08/649177308.db2.gz IJZONNLUZCLPTO-HIFRSBDPSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000942200206 649182127 /nfs/dbraw/zinc/18/21/27/649182127.db2.gz KKUBTRSMVMJMBL-ZBFHGGJFSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3cccnc32)[C@@H](C)C1 ZINC000942314958 649202361 /nfs/dbraw/zinc/20/23/61/649202361.db2.gz RYROWDSPCVGWFY-YOEHRIQHSA-N 0 3 307.397 2.308 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000828698131 649210528 /nfs/dbraw/zinc/21/05/28/649210528.db2.gz BKQUCCMEHZNKQX-FUHWJXTLSA-N 0 3 316.445 2.298 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)cn2C)[C@H](C)C1 ZINC000942395693 649214529 /nfs/dbraw/zinc/21/45/29/649214529.db2.gz ZGSHMIXXBUQXOF-OCCSQVGLSA-N 0 3 307.825 2.142 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2conc2C(F)(F)F)[C@@H](C)C1 ZINC000942497077 649226275 /nfs/dbraw/zinc/22/62/75/649226275.db2.gz PKMBKVNKORBCSV-ONGXEEELSA-N 0 3 317.311 2.320 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@@H](C)C1 ZINC000942487070 649227950 /nfs/dbraw/zinc/22/79/50/649227950.db2.gz QODZPMUHJHMQIO-GOEBONIOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2OC)[C@@H](C)C1 ZINC000942545056 649241961 /nfs/dbraw/zinc/24/19/61/649241961.db2.gz 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ZINC000943207679 649350456 /nfs/dbraw/zinc/35/04/56/649350456.db2.gz GZRSUTDGCFTGNM-CZUORRHYSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c(C)c2Cl)[C@@H](C)C1 ZINC000943232570 649352512 /nfs/dbraw/zinc/35/25/12/649352512.db2.gz MZYSFSXRNZFRDB-CMPLNLGQSA-N 0 3 310.829 2.008 20 30 DEEDHN C#CC[C@@H]1CCCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000829810124 649360419 /nfs/dbraw/zinc/36/04/19/649360419.db2.gz LZFTUARRSPRXCF-OAHLLOKOSA-N 0 3 320.458 2.172 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)ncc2Cl)[C@H](C)C1 ZINC000943336100 649368044 /nfs/dbraw/zinc/36/80/44/649368044.db2.gz VEKMUIZZILMMOO-ZWNOBZJWSA-N 0 3 308.813 2.065 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2oc(C3CC3)nc2C)[C@H](C)C1 ZINC000943498386 649389375 /nfs/dbraw/zinc/38/93/75/649389375.db2.gz PKBIJZHPDUAQKK-DOMZBBRYSA-N 0 3 315.417 2.324 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)[C@H](C)C1 ZINC000943646805 649408702 /nfs/dbraw/zinc/40/87/02/649408702.db2.gz OBPYGSSFRBTQCY-UKRRQHHQSA-N 0 3 318.465 2.344 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H](C)C1 ZINC000943771587 649427326 /nfs/dbraw/zinc/42/73/26/649427326.db2.gz IIABOWHPDYTZLI-HOCLYGCPSA-N 0 3 304.438 2.165 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@@H](C)C1 ZINC000943989836 649468780 /nfs/dbraw/zinc/46/87/80/649468780.db2.gz XKTLTVHKYCVHHH-KSSFIOAISA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H](C)C1 ZINC000944017008 649471291 /nfs/dbraw/zinc/47/12/91/649471291.db2.gz RFOBITYXKZIZNE-KGLIPLIRSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)[C@H](C)C1 ZINC000944044873 649474709 /nfs/dbraw/zinc/47/47/09/649474709.db2.gz AYCKXXHOQDCJBF-KGLIPLIRSA-N 0 3 317.433 2.436 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncccc2Cl)[C@H](C)C1 ZINC000944227154 649500473 /nfs/dbraw/zinc/50/04/73/649500473.db2.gz MDMZOUVZIDZTNJ-OCCSQVGLSA-N 0 3 305.809 2.199 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OC)c2OC)[C@@H](C)C1 ZINC000944316576 649510213 /nfs/dbraw/zinc/51/02/13/649510213.db2.gz GFNBPKGSJLGCIV-DZGCQCFKSA-N 0 3 318.417 2.330 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H](C)C1 ZINC000944533697 649530990 /nfs/dbraw/zinc/53/09/90/649530990.db2.gz PYYHMOMGRIDUJI-HIFRSBDPSA-N 0 3 304.459 2.367 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000995559764 649547886 /nfs/dbraw/zinc/54/78/86/649547886.db2.gz KSRXFVIESKDWLW-ABAIWWIYSA-N 0 3 321.371 2.451 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H](NCc2ccccc2F)C(C)(C)C1 ZINC000995568198 649550506 /nfs/dbraw/zinc/55/05/06/649550506.db2.gz XFZRVWPCJHDIOG-DOMZBBRYSA-N 0 3 303.381 2.312 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000947915516 649567463 /nfs/dbraw/zinc/56/74/63/649567463.db2.gz ARKMCCLJYOCQOZ-KGLIPLIRSA-N 0 3 316.449 2.313 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncnc2C(C)C)[C@@H](C)C1 ZINC000944977184 649594648 /nfs/dbraw/zinc/59/46/48/649594648.db2.gz LUMOEJSGBHDCJX-GOEBONIOSA-N 0 3 314.433 2.064 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(OC)c(Cl)c2)[C@H](C)C1 ZINC000945027864 649599950 /nfs/dbraw/zinc/59/99/50/649599950.db2.gz CNFBJWHGSSDOHN-RISCZKNCSA-N 0 3 323.824 2.370 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000844963572 651187987 /nfs/dbraw/zinc/18/79/87/651187987.db2.gz JBDGWNORFKFTKR-FQEVSTJZSA-N 0 3 319.408 2.457 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)n1ccnc1 ZINC000845444442 651243789 /nfs/dbraw/zinc/24/37/89/651243789.db2.gz UWQISFUKYUBNBM-ZIAGYGMSSA-N 0 3 304.394 2.240 20 30 DEEDHN C=C(C)CONC(=O)N(CCc1ccccc1)CCN(C)C ZINC000845591422 651257780 /nfs/dbraw/zinc/25/77/80/651257780.db2.gz KLEYSVLGGJTQOS-UHFFFAOYSA-N 0 3 305.422 2.310 20 30 DEEDHN C=C[C@H](C)ONC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000845614764 651260876 /nfs/dbraw/zinc/26/08/76/651260876.db2.gz BELYAQKHSXFQIS-BHYGNILZSA-N 0 3 315.417 2.408 20 30 DEEDHN Cn1cccc(C(=O)C(C#N)C(=O)C2(c3ccccc3)CC2)c1=O ZINC000845838126 651287700 /nfs/dbraw/zinc/28/77/00/651287700.db2.gz MDDSQHJANKVARS-HNNXBMFYSA-N 0 3 320.348 2.009 20 30 DEEDHN CCC(C#N)C(=O)NC1(C(=O)OCc2ccccc2)CCC1 ZINC000846259348 651318530 /nfs/dbraw/zinc/31/85/30/651318530.db2.gz YBOPGUMTETYIQT-AWEZNQCLSA-N 0 3 300.358 2.318 20 30 DEEDHN C#C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000847265853 651385378 /nfs/dbraw/zinc/38/53/78/651385378.db2.gz CVPKDFPCTLAFSF-FUHWJXTLSA-N 0 3 311.429 2.316 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000848287466 651449853 /nfs/dbraw/zinc/44/98/53/651449853.db2.gz RFRUZJRPHJJGKK-AEFFLSMTSA-N 0 3 311.429 2.165 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577326 651473977 /nfs/dbraw/zinc/47/39/77/651473977.db2.gz DFKQBYOGMXUIJA-WBMJQRKESA-N 0 3 315.373 2.050 20 30 DEEDHN C=CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H](C)COC ZINC000855375338 651685779 /nfs/dbraw/zinc/68/57/79/651685779.db2.gz KBBMAVJLHMNFON-XJKSGUPXSA-N 0 3 300.418 2.248 20 30 DEEDHN C=CCCONC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000856030747 651826435 /nfs/dbraw/zinc/82/64/35/651826435.db2.gz PIJZLCGKJZENJO-UHFFFAOYSA-N 0 3 317.433 2.455 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000850758734 651982010 /nfs/dbraw/zinc/98/20/10/651982010.db2.gz ISLYQACYZLRDBB-FRRDWIJNSA-N 0 3 316.357 2.158 20 30 DEEDHN Cc1ccoc1CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000850977234 652034976 /nfs/dbraw/zinc/03/49/76/652034976.db2.gz PKXVGQGWOSHQNM-HNNXBMFYSA-N 0 3 310.353 2.464 20 30 DEEDHN C#CCN(C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CC1 ZINC000851938351 652286782 /nfs/dbraw/zinc/28/67/82/652286782.db2.gz OJVCMEWOKSTJNK-HNNXBMFYSA-N 0 3 320.433 2.253 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCCCN(C)c1ccccc1 ZINC000852097893 652338210 /nfs/dbraw/zinc/33/82/10/652338210.db2.gz ZWMPXTOAMFDKLR-GOSISDBHSA-N 0 3 301.434 2.021 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000852101045 652338894 /nfs/dbraw/zinc/33/88/94/652338894.db2.gz MZCBSZPMWHRNIK-KRWDZBQOSA-N 0 3 301.390 2.343 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000852102245 652339720 /nfs/dbraw/zinc/33/97/20/652339720.db2.gz XJYYZFYNCBTLHA-QGZVFWFLSA-N 0 3 301.390 2.343 20 30 DEEDHN C#CCOCCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000852183930 652359433 /nfs/dbraw/zinc/35/94/33/652359433.db2.gz BQDYWLPEEYKWEF-UHFFFAOYSA-N 0 3 308.422 2.112 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(C)c(C)c1 ZINC000852358996 652391239 /nfs/dbraw/zinc/39/12/39/652391239.db2.gz AGNUKHGYYMCSPT-UHFFFAOYSA-N 0 3 301.434 2.100 20 30 DEEDHN C=C[C@H](CO)NCCOc1ccccc1C(=O)OC(C)(C)C ZINC000852714169 652443038 /nfs/dbraw/zinc/44/30/38/652443038.db2.gz BJDMJMNALNLOBH-CYBMUJFWSA-N 0 3 307.390 2.157 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852731946 652445631 /nfs/dbraw/zinc/44/56/31/652445631.db2.gz OAUVINDFXDKEBV-APHBMKBZSA-N 0 3 322.836 2.126 20 30 DEEDHN C=CCn1c([C@H](O)C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001356030545 1152052764 /nfs/dbraw/zinc/05/27/64/1152052764.db2.gz VDXBDLAILPTBSD-SOUVJXGZSA-N 0 3 321.469 2.072 20 30 DEEDHN CC[C@H](CNC(=O)CCCF)NCc1ccc(C#N)c(F)c1 ZINC001373783152 1157360387 /nfs/dbraw/zinc/36/03/87/1157360387.db2.gz SEQOCFSASQIPLT-CQSZACIVSA-N 0 3 309.360 2.431 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001356735020 1152123703 /nfs/dbraw/zinc/12/37/03/1152123703.db2.gz QHWBWWMFOKOKRN-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCc1ccc(OCC(=O)N[C@H]2CCN(C)[C@H]2C)c(OC)c1 ZINC000928450585 693783429 /nfs/dbraw/zinc/78/34/29/693783429.db2.gz CKIBLTVFWJHZCX-ZFWWWQNUSA-N 0 3 318.417 2.011 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905839 684063873 /nfs/dbraw/zinc/06/38/73/684063873.db2.gz KQNRBDHPJMVPDL-OAHLLOKOSA-N 0 3 300.358 2.210 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCCCO1 ZINC000121983860 684111778 /nfs/dbraw/zinc/11/17/78/684111778.db2.gz JSMHERPWUGPYAR-DOMZBBRYSA-N 0 3 316.357 2.302 20 30 DEEDHN C#CCCCCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000130764041 684192675 /nfs/dbraw/zinc/19/26/75/684192675.db2.gz AXQHSIRTGPGTQU-CYBMUJFWSA-N 0 3 309.207 2.369 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1 ZINC000155529838 684275042 /nfs/dbraw/zinc/27/50/42/684275042.db2.gz RYDSZMFQODEQNY-QGZVFWFLSA-N 0 3 300.402 2.047 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C[C@H](C)SC)cc1 ZINC000156391659 684289042 /nfs/dbraw/zinc/28/90/42/684289042.db2.gz GNPNLWRGXQOPSX-FZMZJTMJSA-N 0 3 320.414 2.162 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccoc1Cl)C2 ZINC001054119708 693852470 /nfs/dbraw/zinc/85/24/70/693852470.db2.gz FPCQGUOSNDEGDK-INIZCTEOSA-N 0 3 306.793 2.494 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC(F)(F)C1)C2 ZINC001054142794 693861076 /nfs/dbraw/zinc/86/10/76/693861076.db2.gz JBTSFOUSVVUUON-GOEBONIOSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnoc1CC)C2 ZINC001054205145 693881233 /nfs/dbraw/zinc/88/12/33/693881233.db2.gz LGMYMBHPDKYTDC-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1nccs1)C2 ZINC001054218000 693886568 /nfs/dbraw/zinc/88/65/68/693886568.db2.gz KYBSEILQVFXWGN-MRXNPFEDSA-N 0 3 303.431 2.095 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1oc(CC)nc1C)C2 ZINC001054223859 693889288 /nfs/dbraw/zinc/88/92/88/693889288.db2.gz JZJCXZZLLYWAKH-GOSISDBHSA-N 0 3 315.417 2.107 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)c1cccnc1)C2 ZINC001054228146 693891192 /nfs/dbraw/zinc/89/11/92/693891192.db2.gz OYLCHAQEKQMSGY-QFBILLFUSA-N 0 3 311.429 2.133 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(Cl)cn1)C2 ZINC001054229728 693892716 /nfs/dbraw/zinc/89/27/16/693892716.db2.gz AYQGCCWJYJXMER-QGZVFWFLSA-N 0 3 317.820 2.296 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1C#C)C2 ZINC001054233839 693894283 /nfs/dbraw/zinc/89/42/83/693894283.db2.gz SBGKHBUAYGCIPF-OAQYLSRUSA-N 0 3 320.436 2.158 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1C)C2 ZINC001054238072 693894612 /nfs/dbraw/zinc/89/46/12/693894612.db2.gz KUYZAFHGHGGSQS-HXUWFJFHSA-N 0 3 310.441 2.485 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COc3ccccc31)C2 ZINC001054247930 693899147 /nfs/dbraw/zinc/89/91/47/693899147.db2.gz GWWLBFPOCOJCLK-YLJYHZDGSA-N 0 3 324.424 2.110 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cnsn3)cc2C1 ZINC001054257011 693903988 /nfs/dbraw/zinc/90/39/88/693903988.db2.gz WNYCTDUWRMUPEG-UHFFFAOYSA-N 0 3 314.414 2.360 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3ccncn3)cc2C1 ZINC001054286529 693915328 /nfs/dbraw/zinc/91/53/28/693915328.db2.gz JKOOTLPLPQYDHH-UHFFFAOYSA-N 0 3 308.385 2.298 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000246472624 685130708 /nfs/dbraw/zinc/13/07/08/685130708.db2.gz BHHVAGGMCBJVML-WOPDTQHZSA-N 0 3 304.296 2.056 20 30 DEEDHN C[C@@H]1CC[C@H](CCC(=O)C(C#N)C(=O)NCc2ccccc2)O1 ZINC000246506102 685131624 /nfs/dbraw/zinc/13/16/24/685131624.db2.gz GDDFWXFBYJPJAL-BMFZPTHFSA-N 0 3 314.385 2.359 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccco2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054338916 693938965 /nfs/dbraw/zinc/93/89/65/693938965.db2.gz JMPCARRXSVYXMQ-FZMZJTMJSA-N 0 3 315.398 2.463 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COCC(F)F)cc1 ZINC000860471049 685930919 /nfs/dbraw/zinc/93/09/19/685930919.db2.gz YMTLVHZUZUAJIK-GFCCVEGCSA-N 0 3 310.300 2.178 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CC(OC)C1 ZINC000860471472 685931065 /nfs/dbraw/zinc/93/10/65/685931065.db2.gz KUYVKDIHADWNGH-BPCQOVAHSA-N 0 3 316.357 2.158 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)COCC(F)F)c1ccccc1 ZINC000860695274 685952229 /nfs/dbraw/zinc/95/22/29/685952229.db2.gz RSYACCWIMZEGKK-OLZOCXBDSA-N 0 3 324.327 2.244 20 30 DEEDHN Cc1cc(Cl)nc(CNC[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000863554583 686521464 /nfs/dbraw/zinc/52/14/64/686521464.db2.gz COZSMQOTHNAEGG-CQSZACIVSA-N 0 3 323.824 2.204 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001054812487 694050954 /nfs/dbraw/zinc/05/09/54/694050954.db2.gz KJVITURFENEUHQ-UKRRQHHQSA-N 0 3 306.381 2.271 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCCNC(=O)OC(C)(C)C ZINC000865439654 687211267 /nfs/dbraw/zinc/21/12/67/687211267.db2.gz YVXBEZPQEAJZPW-UHFFFAOYSA-N 0 3 318.421 2.239 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCCC(=O)OC(C)(C)C ZINC000865472665 687225910 /nfs/dbraw/zinc/22/59/10/687225910.db2.gz CBHDQCZLHDTPJU-UHFFFAOYSA-N 0 3 303.406 2.446 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CC3(CO2)CCOCC3)c(F)c1 ZINC000865780154 687332292 /nfs/dbraw/zinc/33/22/92/687332292.db2.gz GDGQRFCHSGWVAQ-HNNXBMFYSA-N 0 3 304.365 2.373 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001015862411 687443380 /nfs/dbraw/zinc/44/33/80/687443380.db2.gz ZEZCDFVLIIFJMB-HOCLYGCPSA-N 0 3 300.402 2.319 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001015866931 687444605 /nfs/dbraw/zinc/44/46/05/687444605.db2.gz WNCVRSVVTJDFLQ-OAHLLOKOSA-N 0 3 311.360 2.201 20 30 DEEDHN CN1CCN(C2CCN(c3cccc(Cl)c3C#N)CC2)CC1 ZINC000866215448 687495695 /nfs/dbraw/zinc/49/56/95/687495695.db2.gz XFEILZRQRLIEKZ-UHFFFAOYSA-N 0 3 318.852 2.428 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(F)ccc(OC)c2F)C1 ZINC001016049561 687511443 /nfs/dbraw/zinc/51/14/43/687511443.db2.gz MABPSYAKAMNIDE-NSHDSACASA-N 0 3 310.344 2.354 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC001016150405 687539827 /nfs/dbraw/zinc/53/98/27/687539827.db2.gz QZOPICZAZSRZAH-AWEZNQCLSA-N 0 3 300.406 2.043 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001016276089 687579786 /nfs/dbraw/zinc/57/97/86/687579786.db2.gz STIIGOIDUXUDGY-AWEZNQCLSA-N 0 3 304.438 2.327 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001016425901 687619429 /nfs/dbraw/zinc/61/94/29/687619429.db2.gz BPUJQUWMPZVAIO-CQSZACIVSA-N 0 3 312.413 2.184 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ncsc2C2CC2)CC1 ZINC001016829141 687711687 /nfs/dbraw/zinc/71/16/87/687711687.db2.gz JVLZUDPSSCVTJR-CYBMUJFWSA-N 0 3 315.442 2.238 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001016830083 687712301 /nfs/dbraw/zinc/71/23/01/687712301.db2.gz PMGFQUGARLXHRN-KRWDZBQOSA-N 0 3 311.429 2.423 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C2CC(OCc3ccccc3)C2)C1=O ZINC000930310849 694133850 /nfs/dbraw/zinc/13/38/50/694133850.db2.gz RBWOVYKYSYZEOT-DAWZGUTISA-N 0 3 314.429 2.453 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000930315476 694134408 /nfs/dbraw/zinc/13/44/08/694134408.db2.gz KJJSSVKLYMGHCP-UHFFFAOYSA-N 0 3 318.377 2.288 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001016864309 687721864 /nfs/dbraw/zinc/72/18/64/687721864.db2.gz CQZVBZHRNJSWKW-HOCLYGCPSA-N 0 3 300.402 2.295 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2scnc2C(C)C)CC1 ZINC001016868004 687722829 /nfs/dbraw/zinc/72/28/29/687722829.db2.gz OWVNMQSAKNKOAW-ZDUSSCGKSA-N 0 3 317.458 2.484 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cncc(Cl)c2)CC1 ZINC001016876496 687725116 /nfs/dbraw/zinc/72/51/16/687725116.db2.gz RXMZTTMUEDQWLL-OAHLLOKOSA-N 0 3 317.820 2.343 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2csc(C(C)C)n2)CC1 ZINC001016881675 687726061 /nfs/dbraw/zinc/72/60/61/687726061.db2.gz YAPWTHDEPMQAMM-AWEZNQCLSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)n2c(C)ccc2C)CC1 ZINC001016981523 687748852 /nfs/dbraw/zinc/74/88/52/687748852.db2.gz DCZVLSSINQSXCE-IAGOWNOFSA-N 0 3 313.445 2.270 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000868283703 687968623 /nfs/dbraw/zinc/96/86/23/687968623.db2.gz FEIPKFRWPRSDBS-DOTOQJQBSA-N 0 3 321.465 2.141 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]c2cnccc12 ZINC001017845749 687970971 /nfs/dbraw/zinc/97/09/71/687970971.db2.gz DSVNFGITHPCCKF-IYBDPMFKSA-N 0 3 324.428 2.357 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](OC)C1 ZINC001017864629 687975958 /nfs/dbraw/zinc/97/59/58/687975958.db2.gz LASLZFCBMHIMAW-MWDXBVQZSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)cc1C ZINC001017933014 688004016 /nfs/dbraw/zinc/00/40/16/688004016.db2.gz OYKOHYIFXPSJSR-GASCZTMLSA-N 0 3 315.417 2.351 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2nccc3ccccc32)CC1 ZINC000868582269 688066562 /nfs/dbraw/zinc/06/65/62/688066562.db2.gz XZGCAHSMRSYDQM-UHFFFAOYSA-N 0 3 321.424 2.338 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001020263030 688492404 /nfs/dbraw/zinc/49/24/04/688492404.db2.gz JYOBZDYXAXQWTF-ZKCHVHJHSA-N 0 3 323.702 2.296 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000870142583 688497316 /nfs/dbraw/zinc/49/73/16/688497316.db2.gz LEHNQRDHBOEJOF-UMSGYPCISA-N 0 3 316.357 2.156 20 30 DEEDHN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@H](C)N1CCO ZINC000930645281 694208560 /nfs/dbraw/zinc/20/85/60/694208560.db2.gz PSCUHTFJPCBKRB-BETUJISGSA-N 0 3 307.825 2.099 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2coc3c2cccc3OC)C1 ZINC001028540069 688540045 /nfs/dbraw/zinc/54/00/45/688540045.db2.gz DPLKXYGKJMKJJN-ZDUSSCGKSA-N 0 3 312.369 2.126 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001028832510 688544423 /nfs/dbraw/zinc/54/44/23/688544423.db2.gz NAMWVFJMJMRNQZ-VQIMIIECSA-N 0 3 310.441 2.253 20 30 DEEDHN CC[C@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1)N(C)C ZINC001056671591 694250156 /nfs/dbraw/zinc/25/01/56/694250156.db2.gz FVQFHHWECMESEM-MLGOLLRUSA-N 0 3 318.396 2.050 20 30 DEEDHN C=C1CCC(C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)CC1 ZINC001031951496 689027931 /nfs/dbraw/zinc/02/79/31/689027931.db2.gz JNFCLRUAIRWMEW-KRWDZBQOSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(OC)cc2Cl)C1 ZINC001032056589 689050724 /nfs/dbraw/zinc/05/07/24/689050724.db2.gz ADXLUZDGPQVMRF-UHFFFAOYSA-N 0 3 306.793 2.034 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001032152681 689073424 /nfs/dbraw/zinc/07/34/24/689073424.db2.gz FPQAKNMUWKFNTM-UHFFFAOYSA-N 0 3 308.784 2.472 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000872878711 689111441 /nfs/dbraw/zinc/11/14/41/689111441.db2.gz LNGNDKSQBRKHST-GJZGRUSLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032409141 689142790 /nfs/dbraw/zinc/14/27/90/689142790.db2.gz CAWBDPQHAFXNJQ-NXOAAHMSSA-N 0 3 306.450 2.299 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2n[nH]cc2c1 ZINC001032516370 689174053 /nfs/dbraw/zinc/17/40/53/689174053.db2.gz UPHMKRSSHPYUFS-IRXDYDNUSA-N 0 3 324.428 2.357 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001032528407 689178412 /nfs/dbraw/zinc/17/84/12/689178412.db2.gz REXXQYQZFQFZDN-HRCADAONSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1 ZINC001032557722 689185849 /nfs/dbraw/zinc/18/58/49/689185849.db2.gz QBTBGJUFGKOTHQ-JYJNAYRXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(F)c1F ZINC001032651350 689213144 /nfs/dbraw/zinc/21/31/44/689213144.db2.gz UAMGUHFURGZJMM-KBPBESRZSA-N 0 3 306.356 2.369 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1nccs1 ZINC001032790526 689261143 /nfs/dbraw/zinc/26/11/43/689261143.db2.gz OHJMGSDIGVKPLX-KBPBESRZSA-N 0 3 305.447 2.327 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(=O)[nH]c1C ZINC001032795589 689263124 /nfs/dbraw/zinc/26/31/24/689263124.db2.gz KSWZWKSJRJGQCS-GJZGRUSLSA-N 0 3 315.417 2.269 20 30 DEEDHN C=CCN(C[C@@H](O)COc1ccc2cc[nH]c2c1)[C@H](C)COC ZINC000930933222 694278340 /nfs/dbraw/zinc/27/83/40/694278340.db2.gz TUQMLDSFMZRJMW-GDBMZVCRSA-N 0 3 318.417 2.431 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001033104724 689388138 /nfs/dbraw/zinc/38/81/38/689388138.db2.gz YXHWHCVFYYVKQO-SJORKVTESA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(F)cccc2OC)C1 ZINC001033106269 689389126 /nfs/dbraw/zinc/38/91/26/689389126.db2.gz HQGAILMSRFOTHH-CYBMUJFWSA-N 0 3 304.365 2.004 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001033137869 689401721 /nfs/dbraw/zinc/40/17/21/689401721.db2.gz AXFDSKBOVJDIMX-HNNXBMFYSA-N 0 3 315.417 2.387 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc(C)n3ccccc23)C1 ZINC001033271285 689445860 /nfs/dbraw/zinc/44/58/60/689445860.db2.gz KYIGXWPVLSFLGT-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2occ3c2CCOC3)C1 ZINC001033302493 689454016 /nfs/dbraw/zinc/45/40/16/689454016.db2.gz LKHFJTJQFCLRSW-CQSZACIVSA-N 0 3 304.390 2.075 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2c(F)cccc2F)C1 ZINC001033382888 689482131 /nfs/dbraw/zinc/48/21/31/689482131.db2.gz HXUCXPSTLYOJJB-ZDUSSCGKSA-N 0 3 306.356 2.063 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C[C@@H]3CCCCO3)C2)C1 ZINC001033394172 689486811 /nfs/dbraw/zinc/48/68/11/689486811.db2.gz PYJNHHPDOUFDOK-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnc(OCC)c2)C1 ZINC001033405850 689490777 /nfs/dbraw/zinc/49/07/77/689490777.db2.gz PHOYUGHJJRMSDR-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2csc(C3CC3)n2)C1 ZINC001033477762 689515407 /nfs/dbraw/zinc/51/54/07/689515407.db2.gz QLVDPXMSMPRIOV-HNNXBMFYSA-N 0 3 317.458 2.119 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001033506344 689524363 /nfs/dbraw/zinc/52/43/63/689524363.db2.gz UZPXLNNYGVCWSY-AWEZNQCLSA-N 0 3 318.465 2.440 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(-n3cccc3)nc2)C1 ZINC001033515941 689527989 /nfs/dbraw/zinc/52/79/89/689527989.db2.gz NLGCAQPRYYGSHY-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001033607457 689558300 /nfs/dbraw/zinc/55/83/00/689558300.db2.gz QWFOVQVWKWNWPD-KRWDZBQOSA-N 0 3 315.417 2.367 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033629062 689565919 /nfs/dbraw/zinc/56/59/19/689565919.db2.gz MJBCPGGZAURBDN-INIZCTEOSA-N 0 3 304.821 2.439 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cccc(OCC)c2)C1 ZINC001033690325 689585288 /nfs/dbraw/zinc/58/52/88/689585288.db2.gz IHPFNGFVBHANII-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn(C)c2C2CC2)C1 ZINC001033707421 689590624 /nfs/dbraw/zinc/59/06/24/689590624.db2.gz QYRBQOPBASVAED-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001033730152 689599276 /nfs/dbraw/zinc/59/92/76/689599276.db2.gz SAVATPICQKZRAU-IAGOWNOFSA-N 0 3 314.429 2.407 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(COC)c2)C1 ZINC001033888780 689651572 /nfs/dbraw/zinc/65/15/72/689651572.db2.gz SNMMYNXXDFCTQU-SFHVURJKSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001033950765 689672091 /nfs/dbraw/zinc/67/20/91/689672091.db2.gz WZVIQNIGKYQELK-CABCVRRESA-N 0 3 316.449 2.329 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034008709 689691070 /nfs/dbraw/zinc/69/10/70/689691070.db2.gz FPBWDLFRGGKUKM-NSHDSACASA-N 0 3 311.838 2.356 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2n[nH]c3ccccc32)C1 ZINC001034033196 689701173 /nfs/dbraw/zinc/70/11/73/689701173.db2.gz DJYYZAPZDSEKTK-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001034236642 689775469 /nfs/dbraw/zinc/77/54/69/689775469.db2.gz KUTNBTNLMNWONG-CQSZACIVSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC001034236772 689775718 /nfs/dbraw/zinc/77/57/18/689775718.db2.gz LWZLVLRYVSWJSC-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001034280623 689793007 /nfs/dbraw/zinc/79/30/07/689793007.db2.gz WIRKWSNYKKQXSV-AWEZNQCLSA-N 0 3 318.421 2.052 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001034283657 689793867 /nfs/dbraw/zinc/79/38/67/689793867.db2.gz ULVQTYYCVZSTMH-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(CCF)c2)C1 ZINC001034282977 689793880 /nfs/dbraw/zinc/79/38/80/689793880.db2.gz SGMRCZCURWXXSW-OAHLLOKOSA-N 0 3 308.401 2.013 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001034297128 689799486 /nfs/dbraw/zinc/79/94/86/689799486.db2.gz OBLQZPDTCHTITP-NVXWUHKLSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000876321941 689801378 /nfs/dbraw/zinc/80/13/78/689801378.db2.gz AYMTWHAKUNHASJ-OAHLLOKOSA-N 0 3 311.470 2.125 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034317220 689807426 /nfs/dbraw/zinc/80/74/26/689807426.db2.gz ZZOINLLXZJXXAS-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN C#C[C@H]1CC[C@H](NC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000876442216 689831856 /nfs/dbraw/zinc/83/18/56/689831856.db2.gz GORMWWVFLSBSTN-BZUAXINKSA-N 0 3 303.450 2.304 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001034417564 689842256 /nfs/dbraw/zinc/84/22/56/689842256.db2.gz PJNVOEIGJBQZFW-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCCN1CCCC[C@H](NC(=O)c2scnc2COC)C1 ZINC001034431994 689847709 /nfs/dbraw/zinc/84/77/09/689847709.db2.gz AOTYUAGOLPLGCB-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)NCCC)c1 ZINC000876581707 689864976 /nfs/dbraw/zinc/86/49/76/689864976.db2.gz CVXWYRKMCWSOHB-CYBMUJFWSA-N 0 3 309.797 2.235 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001034490554 689870267 /nfs/dbraw/zinc/87/02/67/689870267.db2.gz LNVQBRCYVBNGFK-AWEZNQCLSA-N 0 3 304.438 2.234 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(Cl)ccc1OC ZINC000876604552 689873804 /nfs/dbraw/zinc/87/38/04/689873804.db2.gz LMVLEHKPCBCDJL-LLVKDONJSA-N 0 3 303.189 2.435 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC000876615788 689877843 /nfs/dbraw/zinc/87/78/43/689877843.db2.gz LBNNILCOYJQXSK-GFCCVEGCSA-N 0 3 316.760 2.259 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034535622 689889518 /nfs/dbraw/zinc/88/95/18/689889518.db2.gz SSCOERANSSBNIX-GDBMZVCRSA-N 0 3 316.449 2.061 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001034536379 689890138 /nfs/dbraw/zinc/89/01/38/689890138.db2.gz TZYWLNBDZVKOAH-HNNXBMFYSA-N 0 3 314.433 2.208 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1OC ZINC000876686584 689902268 /nfs/dbraw/zinc/90/22/68/689902268.db2.gz BOVLWTPRNAOALP-SECBINFHSA-N 0 3 314.769 2.121 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000876714385 689912823 /nfs/dbraw/zinc/91/28/23/689912823.db2.gz XAHLBBUNDOHVIQ-UONOGXRCSA-N 0 3 318.808 2.096 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000876764671 689930110 /nfs/dbraw/zinc/93/01/10/689930110.db2.gz PVCVFGASQFMTEF-ZBFHGGJFSA-N 0 3 321.852 2.189 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000876878345 689962223 /nfs/dbraw/zinc/96/22/23/689962223.db2.gz AALLUWQCJAQPIW-CABCVRRESA-N 0 3 324.808 2.065 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876885231 689964245 /nfs/dbraw/zinc/96/42/45/689964245.db2.gz NSXSIXUUHFGAQB-CQSZACIVSA-N 0 3 308.809 2.357 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000876892687 689966219 /nfs/dbraw/zinc/96/62/19/689966219.db2.gz RDBBRHNKTCNZIU-OAHLLOKOSA-N 0 3 318.808 2.173 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000876900015 689968324 /nfs/dbraw/zinc/96/83/24/689968324.db2.gz UBUYXYODOZSOFG-QRTARXTBSA-N 0 3 324.852 2.202 20 30 DEEDHN C#CC1(O)CCN(CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000931151892 694328319 /nfs/dbraw/zinc/32/83/19/694328319.db2.gz ZCFWWCBLMOOCRU-UHFFFAOYSA-N 0 3 309.312 2.011 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000876973800 689987618 /nfs/dbraw/zinc/98/76/18/689987618.db2.gz PSRBMMZLVJUETD-HUUCEWRRSA-N 0 3 307.825 2.194 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC2CCN(CC(F)F)CC2)c1 ZINC000876991174 689991791 /nfs/dbraw/zinc/99/17/91/689991791.db2.gz KBVUYNMTICNVRJ-UHFFFAOYSA-N 0 3 314.767 2.426 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001034935841 689995407 /nfs/dbraw/zinc/99/54/07/689995407.db2.gz ZMKRSIQKXPPQTM-OAHLLOKOSA-N 0 3 317.820 2.229 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000877238818 690054040 /nfs/dbraw/zinc/05/40/40/690054040.db2.gz CTGIGKRZAKJVDJ-UONOGXRCSA-N 0 3 312.772 2.275 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cncc(F)c1)CC2 ZINC001035683641 690151371 /nfs/dbraw/zinc/15/13/71/690151371.db2.gz KATIPSTZPXRBJX-UHFFFAOYSA-N 0 3 303.381 2.335 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@@H]1C)CC2 ZINC001035690809 690153452 /nfs/dbraw/zinc/15/34/52/690153452.db2.gz FMCHWAXBJHPZRV-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccoc1Cl)CC2 ZINC001035694759 690154490 /nfs/dbraw/zinc/15/44/90/690154490.db2.gz ZBENURLVJLNHDQ-UHFFFAOYSA-N 0 3 306.793 2.494 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035714899 690158594 /nfs/dbraw/zinc/15/85/94/690158594.db2.gz XXRMPBBKLHUKDP-UHFFFAOYSA-N 0 3 314.857 2.072 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cnc(C)o1)CC2 ZINC001035722529 690160830 /nfs/dbraw/zinc/16/08/30/690160830.db2.gz MMMNPHCOSYXNQK-UHFFFAOYSA-N 0 3 303.406 2.026 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC001035742224 690165557 /nfs/dbraw/zinc/16/55/57/690165557.db2.gz RDLBVHUXRMZJJU-GVDBMIGSSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)Cc1ccc(C)cc1)CC2 ZINC001035744817 690166596 /nfs/dbraw/zinc/16/65/96/690166596.db2.gz RWXQLXSKUANLFO-UHFFFAOYSA-N 0 3 310.441 2.485 20 30 DEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cc(C#N)cnc2Cl)C1 ZINC000877623702 690170692 /nfs/dbraw/zinc/17/06/92/690170692.db2.gz XRFOHNHHRDRGPU-YUELXQCFSA-N 0 3 323.824 2.262 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ocnc1C1CC1)CC2 ZINC001035792828 690177305 /nfs/dbraw/zinc/17/73/05/690177305.db2.gz FSEHACITDXAVEV-UHFFFAOYSA-N 0 3 313.401 2.113 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CF)CCOCC1)CC2 ZINC001035794879 690178256 /nfs/dbraw/zinc/17/82/56/690178256.db2.gz MIIREYHCJNRLPW-UHFFFAOYSA-N 0 3 324.440 2.253 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc3c(c1)COC3)CC2 ZINC001035816074 690183604 /nfs/dbraw/zinc/18/36/04/690183604.db2.gz JYVKQMMAJNXBJE-UHFFFAOYSA-N 0 3 324.424 2.278 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cocn2)CC[C@H]1NCc1ccccc1C#N ZINC001035962190 690226271 /nfs/dbraw/zinc/22/62/71/690226271.db2.gz LAVILNQGBMUNEE-CZUORRHYSA-N 0 3 324.384 2.187 20 30 DEEDHN Cc1nc(CN[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2C)c(C)o1 ZINC001036037745 690241441 /nfs/dbraw/zinc/24/14/41/690241441.db2.gz OEKNVYDXWHPGBE-LRDDRELGSA-N 0 3 315.417 2.031 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001036139360 690273101 /nfs/dbraw/zinc/27/31/01/690273101.db2.gz XZJISMYHUJXQAS-OCCSQVGLSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3nccn3C)[C@H](C)C2)C1 ZINC001036170769 690280573 /nfs/dbraw/zinc/28/05/73/690280573.db2.gz UGPWQLBBSRUTAC-CABCVRRESA-N 0 3 316.449 2.103 20 30 DEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CC1CC2(CCC2)C1 ZINC000878185223 690339009 /nfs/dbraw/zinc/33/90/09/690339009.db2.gz HRJOAZUBIGHLBR-AWEZNQCLSA-N 0 3 311.433 2.439 20 30 DEEDHN CC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cc(C#N)ccc1F ZINC001036488283 690365563 /nfs/dbraw/zinc/36/55/63/690365563.db2.gz VLLAQRNQYVWRQC-SJCJKPOMSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNCc1ccccn1 ZINC001036549947 690383068 /nfs/dbraw/zinc/38/30/68/690383068.db2.gz MXGLVTZWRKPGFW-CRAIPNDOSA-N 0 3 311.429 2.212 20 30 DEEDHN CC(=O)N1CC[C@H]2[C@H](CCN2CC#Cc2ccc(F)cc2)C1 ZINC001036605423 690395867 /nfs/dbraw/zinc/39/58/67/690395867.db2.gz TXUAGDFZKPNSGF-AEFFLSMTSA-N 0 3 300.377 2.120 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2Cc2cncn2C)C1 ZINC001036792905 690476485 /nfs/dbraw/zinc/47/64/85/690476485.db2.gz WJMVRZSDLQRCGG-HOCLYGCPSA-N 0 3 316.449 2.055 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCCCCCNC(=O)CC1 ZINC000879255353 690603717 /nfs/dbraw/zinc/60/37/17/690603717.db2.gz KRUQAZGNPXIDDZ-UHFFFAOYSA-N 0 3 315.417 2.449 20 30 DEEDHN Cc1cccc(C(=O)NC2CCN(CCOCCC#N)CC2)c1 ZINC000879350360 690625328 /nfs/dbraw/zinc/62/53/28/690625328.db2.gz DMBPDJMJUKHOQS-UHFFFAOYSA-N 0 3 315.417 2.120 20 30 DEEDHN CC(C)(NCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCCO1 ZINC000879407588 690635546 /nfs/dbraw/zinc/63/55/46/690635546.db2.gz PKJJAWBJKZIJKV-OAHLLOKOSA-N 0 3 301.390 2.434 20 30 DEEDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000879653781 690700029 /nfs/dbraw/zinc/70/00/29/690700029.db2.gz WSTOZUFPCJDIMH-ZFWWWQNUSA-N 0 3 312.369 2.354 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000879994718 690775323 /nfs/dbraw/zinc/77/53/23/690775323.db2.gz LMHCTWNRUBQRJK-KXBFYZLASA-N 0 3 311.429 2.337 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001038334160 690785102 /nfs/dbraw/zinc/78/51/02/690785102.db2.gz BPXIINYYVMDHKG-QZTJIDSGSA-N 0 3 313.445 2.422 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001038339326 690786517 /nfs/dbraw/zinc/78/65/17/690786517.db2.gz IGOUABNYBOHRPK-CQSZACIVSA-N 0 3 301.390 2.045 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001038364093 690795831 /nfs/dbraw/zinc/79/58/31/690795831.db2.gz QHNNJIGISNULOM-NVXWUHKLSA-N 0 3 313.445 2.377 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038477957 690835670 /nfs/dbraw/zinc/83/56/70/690835670.db2.gz YOBJGNUJAXWAHC-WBVHZDCISA-N 0 3 300.402 2.147 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038492158 690839622 /nfs/dbraw/zinc/83/96/22/690839622.db2.gz LOSDYYCZPKQJRN-HNNXBMFYSA-N 0 3 302.422 2.172 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038734745 690909732 /nfs/dbraw/zinc/90/97/32/690909732.db2.gz NCRDLIVPOSARLU-HNNXBMFYSA-N 0 3 300.402 2.392 20 30 DEEDHN CNC(=O)NC[C@@H]1CCCCN1Cc1c(C)cc(C#N)cc1C ZINC000931474800 694407018 /nfs/dbraw/zinc/40/70/18/694407018.db2.gz ASJABNHJSQWFFY-INIZCTEOSA-N 0 3 314.433 2.459 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c2ccccc2nn1C ZINC001038883716 690954942 /nfs/dbraw/zinc/95/49/42/690954942.db2.gz GWMNJERWVVIVLY-AWEZNQCLSA-N 0 3 312.417 2.344 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c2ccccc2nn1C ZINC001038883723 690954961 /nfs/dbraw/zinc/95/49/61/690954961.db2.gz GWMNJERWVVIVLY-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCN1CCC(C)C ZINC001038905646 690962778 /nfs/dbraw/zinc/96/27/78/690962778.db2.gz QINTZBPDBITERL-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1C ZINC001038912478 690965311 /nfs/dbraw/zinc/96/53/11/690965311.db2.gz CWFQQOLXGDACKP-OAHLLOKOSA-N 0 3 315.417 2.334 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(OC)cc(OC)c1 ZINC001038961672 690978409 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BYASBDLRAKNZSF-XOYHFGRZSA-N 0 3 315.442 2.034 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(-c3cc[nH]n3)c1)C2 ZINC000884069835 691646543 /nfs/dbraw/zinc/64/65/43/691646543.db2.gz QFLOUYSVTUVCTG-FVRSWCFKSA-N 0 3 321.384 2.155 20 30 DEEDHN CCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(OC)cc1 ZINC000884070755 691646923 /nfs/dbraw/zinc/64/69/23/691646923.db2.gz XCOLFEYCIKUHRD-TXKKKEFDSA-N 0 3 313.401 2.187 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H]1CCCc3ccccc31)C2 ZINC000884086461 691651126 /nfs/dbraw/zinc/65/11/26/691651126.db2.gz YORCJEHYUOPKIJ-HMFCVHIJSA-N 0 3 323.440 2.362 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884105504 691655746 /nfs/dbraw/zinc/65/57/46/691655746.db2.gz QRAANUYBHBFIDE-QPIRBTGLSA-N 0 3 323.440 2.383 20 30 DEEDHN Cc1ccccc1[C@H]1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884118257 691658874 /nfs/dbraw/zinc/65/88/74/691658874.db2.gz ABVCYUYHMCQNCI-RPTYLJJZSA-N 0 3 323.440 2.450 20 30 DEEDHN C=C(C)CN1CC(N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001042887824 691659213 /nfs/dbraw/zinc/65/92/13/691659213.db2.gz DJJFXBZWWQZNKC-UHFFFAOYSA-N 0 3 308.813 2.273 20 30 DEEDHN Cc1ccc2c(c1)[C@H](NC(=O)C1CC3(C1)CNC[C@@H]3C#N)CC2 ZINC000884129212 691661326 /nfs/dbraw/zinc/66/13/26/691661326.db2.gz ASFDNYMKDBRXII-HLCARVAJSA-N 0 3 309.413 2.238 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H](Cc1ccccc1)C1CC1)C2 ZINC000884148915 691667035 /nfs/dbraw/zinc/66/70/35/691667035.db2.gz WJKVZJKRFGMOPD-NNVNDSJASA-N 0 3 323.440 2.263 20 30 DEEDHN C[C@@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884153989 691668637 /nfs/dbraw/zinc/66/86/37/691668637.db2.gz WPHUFEBZXMZTPV-BMJNKSMYSA-N 0 3 309.413 2.099 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc3cccnc31)C2 ZINC000884178749 691675145 /nfs/dbraw/zinc/67/51/45/691675145.db2.gz UCBDSFYIPNUFJQ-TXKKKEFDSA-N 0 3 306.369 2.313 20 30 DEEDHN Cc1nc2cc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)ccc2o1 ZINC000884179503 691675537 /nfs/dbraw/zinc/67/55/37/691675537.db2.gz QSPKRTOMCGBSTF-VMBJYNEYSA-N 0 3 310.357 2.214 20 30 DEEDHN Cc1cc(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)ccc1Cl ZINC000884315338 691707869 /nfs/dbraw/zinc/70/78/69/691707869.db2.gz MFDSGGWGXFAMGY-XOYHFGRZSA-N 0 3 317.820 2.404 20 30 DEEDHN CC[C@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884315758 691708019 /nfs/dbraw/zinc/70/80/19/691708019.db2.gz ZVTFAHYWTIQGKG-NRGCRIOASA-N 0 3 323.440 2.489 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCCC[C@H]1C1CCC1)C2 ZINC000884376520 691723392 /nfs/dbraw/zinc/72/33/92/691723392.db2.gz KFQSURWUOJQQPW-LPMVOBIJSA-N 0 3 301.434 2.307 20 30 DEEDHN CC1(C)CN(C(=O)C2CC3(C2)CNC[C@H]3C#N)[C@@H]1c1ccncc1 ZINC000884424102 691735984 /nfs/dbraw/zinc/73/59/84/691735984.db2.gz OGTFHKYJCULDLP-BWRBCVJASA-N 0 3 324.428 2.130 20 30 DEEDHN C=CCCN1CC(N(C)C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC001044296868 691802054 /nfs/dbraw/zinc/80/20/54/691802054.db2.gz OUUBTSDBXMQXCU-UHFFFAOYSA-N 0 3 300.362 2.002 20 30 DEEDHN Cc1nc(C)c(CN[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H](C)C2)o1 ZINC001044603457 691855842 /nfs/dbraw/zinc/85/58/42/691855842.db2.gz 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/nfs/dbraw/zinc/97/78/52/691977852.db2.gz GVGIQULYVYSVHY-MRXNPFEDSA-N 0 3 310.344 2.418 20 30 DEEDHN CC1(NC(=O)c2ncc[nH]2)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001045435160 691980116 /nfs/dbraw/zinc/98/01/16/691980116.db2.gz GIIJZDPFPGRMIR-UHFFFAOYSA-N 0 3 323.400 2.066 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cnn(CCC)c2C)CC1 ZINC001045595831 692002015 /nfs/dbraw/zinc/00/20/15/692002015.db2.gz MZEBAZVEXPMYJJ-UHFFFAOYSA-N 0 3 304.438 2.372 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)c2ccc(OC)cc2)CC1 ZINC001045627713 692007142 /nfs/dbraw/zinc/00/71/42/692007142.db2.gz ALXQVYRGQIGBHP-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2c(Cl)n(C)nc2C(C)C)C1 ZINC000886213401 692025684 /nfs/dbraw/zinc/02/56/84/692025684.db2.gz SBUJKWRDJFFIMY-CYBMUJFWSA-N 0 3 308.857 2.384 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)OC)C2 ZINC001045917130 692049547 /nfs/dbraw/zinc/04/95/47/692049547.db2.gz PTOSZKKSKRLCHF-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)SC)C2 ZINC001045931486 692055031 /nfs/dbraw/zinc/05/50/31/692055031.db2.gz JIPHHCVRPOFWBD-DOTOQJQBSA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1coc(C)n1)C2 ZINC001045932458 692055857 /nfs/dbraw/zinc/05/58/57/692055857.db2.gz JLRLDIRVZKMGCS-SFHVURJKSA-N 0 3 315.417 2.325 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccsn1)C2 ZINC001045946302 692059594 /nfs/dbraw/zinc/05/95/94/692059594.db2.gz NYUCWMWEVIOOJK-QGZVFWFLSA-N 0 3 317.458 2.485 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001045961544 692062641 /nfs/dbraw/zinc/06/26/41/692062641.db2.gz QRIBOXSQDGKLAL-VUHPKUFZSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1=CCOCC1)C2 ZINC001045965863 692064495 /nfs/dbraw/zinc/06/44/95/692064495.db2.gz WNFSLEDVQZIVAE-IBGZPJMESA-N 0 3 316.445 2.061 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)c3cccc(C)c3)CC2)C1 ZINC001045998551 692072014 /nfs/dbraw/zinc/07/20/14/692072014.db2.gz HPKRMJARYRRMRO-GOSISDBHSA-N 0 3 313.445 2.013 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC001046079763 692081308 /nfs/dbraw/zinc/08/13/08/692081308.db2.gz BJWYOIVWFMYLJY-GOSISDBHSA-N 0 3 313.445 2.013 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000886554735 692108444 /nfs/dbraw/zinc/10/84/44/692108444.db2.gz BFAITRCWHFZYEF-MCIONIFRSA-N 0 3 307.463 2.012 20 30 DEEDHN C#CCN(C(=O)c1ccc2c(C#N)c[nH]c2c1)C1CCN(C)CC1 ZINC000886572349 692113055 /nfs/dbraw/zinc/11/30/55/692113055.db2.gz ISMQAOQJRHUHGN-UHFFFAOYSA-N 0 3 320.396 2.209 20 30 DEEDHN C#CCN(C(=O)C1C[C@H]2CC[C@@H](C1)S2)C1CCN(C)CC1 ZINC000886572270 692113310 /nfs/dbraw/zinc/11/33/10/692113310.db2.gz FMQDWUZVKXYGLL-VHRNVKJDSA-N 0 3 306.475 2.217 20 30 DEEDHN C#CCN(C(=O)[C@H]1CSc2ccccc21)C1CCN(C)CC1 ZINC000886580903 692116854 /nfs/dbraw/zinc/11/68/54/692116854.db2.gz BYHNLSXZSROSJR-INIZCTEOSA-N 0 3 314.454 2.432 20 30 DEEDHN C#CCN(C(=O)Cc1cccc(F)c1F)C1CCN(C)CC1 ZINC000886580196 692116967 /nfs/dbraw/zinc/11/69/67/692116967.db2.gz 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C#CCN1CCC([C@H]2CCCN(C(=O)Cc3ccc[nH]3)C2)CC1 ZINC001047266141 692405238 /nfs/dbraw/zinc/40/52/38/692405238.db2.gz RQDGTGXDVBYFMK-KRWDZBQOSA-N 0 3 313.445 2.141 20 30 DEEDHN C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001047447854 692424730 /nfs/dbraw/zinc/42/47/30/692424730.db2.gz DEWBPRAZZGEETR-GJZGRUSLSA-N 0 3 322.474 2.394 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001047483683 692428334 /nfs/dbraw/zinc/42/83/34/692428334.db2.gz GYDFWJRVEOGGDV-KBPBESRZSA-N 0 3 322.474 2.105 20 30 DEEDHN Cc1cnc(CN[C@@H](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)s1 ZINC001047837346 692497186 /nfs/dbraw/zinc/49/71/86/692497186.db2.gz WHHNDZBCINDYMK-DZGCQCFKSA-N 0 3 317.458 2.192 20 30 DEEDHN Cc1csc(CN[C@H](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001047846692 692498776 /nfs/dbraw/zinc/49/87/76/692498776.db2.gz FRRINVFPLUDDTL-HIFRSBDPSA-N 0 3 317.458 2.192 20 30 DEEDHN N#CCCOCCN1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932040266 694534835 /nfs/dbraw/zinc/53/48/35/694534835.db2.gz 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CC#CCN1CCC[C@H](NC(=O)c2cc(C)nc(OC)c2)CC1 ZINC001052662141 693592208 /nfs/dbraw/zinc/59/22/08/693592208.db2.gz FZHMGNSVZSMWJS-INIZCTEOSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC001052748305 693610114 /nfs/dbraw/zinc/61/01/14/693610114.db2.gz LJEJFWXNQDXBOH-MOPGFXCFSA-N 0 3 310.441 2.395 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2csc3cncn32)CC1 ZINC001052759073 693612694 /nfs/dbraw/zinc/61/26/94/693612694.db2.gz KEPJTPXNIIUTNL-CYBMUJFWSA-N 0 3 316.430 2.003 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2c(C)noc2Cl)CC1 ZINC001052789779 693619692 /nfs/dbraw/zinc/61/96/92/693619692.db2.gz DITBSDHLNKNWAT-ZDUSSCGKSA-N 0 3 323.824 2.173 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001052840181 693630706 /nfs/dbraw/zinc/63/07/06/693630706.db2.gz YLQJFUXGJPPARM-CQSZACIVSA-N 0 3 310.401 2.089 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)Cc2ccccc2Cl)CC1 ZINC001052913132 693648237 /nfs/dbraw/zinc/64/82/37/693648237.db2.gz HVHNRWLQYMXFOR-HNNXBMFYSA-N 0 3 304.821 2.486 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC001052969311 693659243 /nfs/dbraw/zinc/65/92/43/693659243.db2.gz LSZFFFUPTKNYQV-SJORKVTESA-N 0 3 316.449 2.055 20 30 DEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C2=COCCC2)C1 ZINC001053070304 693683436 /nfs/dbraw/zinc/68/34/36/693683436.db2.gz WTIHVFSGGRRGEZ-FUHWJXTLSA-N 0 3 316.445 2.407 20 30 DEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2n[nH]cc2C)C1 ZINC001053087535 693686320 /nfs/dbraw/zinc/68/63/20/693686320.db2.gz UKRFLLXUBDORIH-JKSUJKDBSA-N 0 3 314.433 2.058 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H](c1ccccn1)C1CC1 ZINC000932387064 694604496 /nfs/dbraw/zinc/60/44/96/694604496.db2.gz WBCUPKHBMAFSIL-LPHOPBHVSA-N 0 3 323.396 2.434 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H](C)COCC1CCCCC1 ZINC000932424323 694611686 /nfs/dbraw/zinc/61/16/86/694611686.db2.gz BDDUGDVVSBEUFC-HNNXBMFYSA-N 0 3 309.454 2.324 20 30 DEEDHN C#CCN(C[C@H](O)COc1cccc(C(C)=O)c1)C(C)(C)C ZINC000932463352 694620114 /nfs/dbraw/zinc/62/01/14/694620114.db2.gz BKHKZAKUDAPTJG-INIZCTEOSA-N 0 3 303.402 2.363 20 30 DEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2COC[C@H]2C)c1 ZINC000932496811 694625808 /nfs/dbraw/zinc/62/58/08/694625808.db2.gz GGCMSXBLHYSCQB-WBVHZDCISA-N 0 3 315.417 2.175 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)COCc2ccc(C)cc2)C1 ZINC001331992361 1149804766 /nfs/dbraw/zinc/80/47/66/1149804766.db2.gz AUWACAAXRJYDOQ-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCOc2cccc(C)c2)C1 ZINC001332045117 1149812582 /nfs/dbraw/zinc/81/25/82/1149812582.db2.gz CCWJENSMFQXAJA-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNCc2cnns2)C1 ZINC001332272040 1149842995 /nfs/dbraw/zinc/84/29/95/1149842995.db2.gz NVZMQCXVSMDRNK-QWHCGFSZSA-N 0 3 308.451 2.269 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H](C)C(F)(F)F)CC2)CC1 ZINC001333181241 1150012060 /nfs/dbraw/zinc/01/20/60/1150012060.db2.gz WFYOKMIFSUXOHN-LLVKDONJSA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC001343234081 1150718795 /nfs/dbraw/zinc/71/87/95/1150718795.db2.gz PXBHRQWBKGQBKR-HOTGVXAUSA-N 0 3 306.381 2.409 20 30 DEEDHN CO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC001343509130 1150748161 /nfs/dbraw/zinc/74/81/61/1150748161.db2.gz MIRWIEVPZBIRTG-VDDIYKPWSA-N 0 3 310.712 2.161 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001344651377 1150833474 /nfs/dbraw/zinc/83/34/74/1150833474.db2.gz IDAMQIQCPWTCHJ-PSASIEDQSA-N 0 3 314.710 2.349 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)CCCF)CCC2)s1 ZINC001402559007 1162392674 /nfs/dbraw/zinc/39/26/74/1162392674.db2.gz GWTPVJYEBRLILB-UHFFFAOYSA-N 0 3 309.410 2.498 20 30 DEEDHN CCc1onc(C)c1CN1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001402605711 1162408104 /nfs/dbraw/zinc/40/81/04/1162408104.db2.gz PGUNPAPZYPYPOU-JSGCOSHPSA-N 0 3 318.421 2.176 20 30 DEEDHN C=C[C@@H](COC)NC[C@@H](O)c1ccc(F)c(Br)c1 ZINC001348973282 1151215164 /nfs/dbraw/zinc/21/51/64/1151215164.db2.gz PNOHRDAJPKNNPZ-GXFFZTMASA-N 0 3 318.186 2.412 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001354499121 1151899090 /nfs/dbraw/zinc/89/90/90/1151899090.db2.gz JCADDEFMLNTOQB-QGZVFWFLSA-N 0 3 323.400 2.425 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1CC1CCC1 ZINC001402721114 1162450181 /nfs/dbraw/zinc/45/01/81/1162450181.db2.gz KPILRFZOPMEZJA-RDTXWAMCSA-N 0 3 311.429 2.489 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001357026948 1152219816 /nfs/dbraw/zinc/21/98/16/1152219816.db2.gz JMCLUKTVVPDGDT-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001402829045 1162486720 /nfs/dbraw/zinc/48/67/20/1162486720.db2.gz YNHMODOYTMNMHK-LBPRGKRZSA-N 0 3 312.845 2.164 20 30 DEEDHN C#CCN(CC)c1nnc(C)n1C[C@@H](c1ccccc1)N(C)C ZINC001359001314 1152537216 /nfs/dbraw/zinc/53/72/16/1152537216.db2.gz QGZPRKZIMILLLX-KRWDZBQOSA-N 0 3 311.433 2.349 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001379599588 1152649584 /nfs/dbraw/zinc/64/95/84/1152649584.db2.gz CXINTDGJFLIJLZ-BJZITVGISA-N 0 3 322.412 2.331 20 30 DEEDHN Cc1nc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)c(C)o1 ZINC001380148819 1152757267 /nfs/dbraw/zinc/75/72/67/1152757267.db2.gz BCLOYRLAVMITJS-UHFFFAOYSA-N 0 3 324.384 2.215 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(Cl)cnn1CC ZINC001381195938 1152946774 /nfs/dbraw/zinc/94/67/74/1152946774.db2.gz ZKYNENGRWXVYTR-JTQLQIEISA-N 0 3 319.236 2.407 20 30 DEEDHN COC(=O)C[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC001362530368 1152959784 /nfs/dbraw/zinc/95/97/84/1152959784.db2.gz QLOSSICYQINFDW-JKSUJKDBSA-N 0 3 314.385 2.313 20 30 DEEDHN CCOC(=O)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC001362570055 1152981947 /nfs/dbraw/zinc/98/19/47/1152981947.db2.gz OFTWYLYGWDREMB-DZGCQCFKSA-N 0 3 302.374 2.217 20 30 DEEDHN Cc1cnc(CNC2CCC(N(C)C(=O)[C@H](C)C#N)CC2)s1 ZINC001381461822 1153073149 /nfs/dbraw/zinc/07/31/49/1153073149.db2.gz WGZVIMKQFZIIEY-LMWSTFAQSA-N 0 3 320.462 2.470 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](OCC)C(C)C)C1 ZINC001402917789 1162537733 /nfs/dbraw/zinc/53/77/33/1162537733.db2.gz BTTVVDFNZFMQJC-JXQTWKCFSA-N 0 3 302.846 2.284 20 30 DEEDHN CC[C@@H](C)OCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001382056364 1153336314 /nfs/dbraw/zinc/33/63/14/1153336314.db2.gz OIDSVTMHEQDPPF-CHWSQXEVSA-N 0 3 323.462 2.371 20 30 DEEDHN Cc1cc([C@H]2CCCCN2CCC(=O)N(C)CCC#N)n[nH]1 ZINC001363333341 1153340869 /nfs/dbraw/zinc/34/08/69/1153340869.db2.gz PYKUTELIFBZERI-OAHLLOKOSA-N 0 3 303.410 2.007 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H]1C ZINC001382333137 1153427654 /nfs/dbraw/zinc/42/76/54/1153427654.db2.gz IQVOTGRXGYUTQZ-KGLIPLIRSA-N 0 3 313.873 2.192 20 30 DEEDHN CC(C)(C)OC(=O)NC1(CO)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001363817381 1153647583 /nfs/dbraw/zinc/64/75/83/1153647583.db2.gz XCJCVKGTBKASEN-KGLIPLIRSA-N 0 3 323.437 2.030 20 30 DEEDHN Cc1cocc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001402998500 1162611277 /nfs/dbraw/zinc/61/12/77/1162611277.db2.gz MZXKOWFVFDLPFV-NSHDSACASA-N 0 3 303.387 2.429 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c[nH]nc2CCC)C1 ZINC001403070461 1162688014 /nfs/dbraw/zinc/68/80/14/1162688014.db2.gz UEFUTHHFNAMELI-UHFFFAOYSA-N 0 3 310.829 2.213 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001389837542 1155447532 /nfs/dbraw/zinc/44/75/32/1155447532.db2.gz LBEAYWXQIQNNGK-BPNCWPANSA-N 0 3 321.421 2.186 20 30 DEEDHN C[C@@H](CNC(=O)C1CC(C)C1)NCc1ccc(F)c(C#N)c1 ZINC001390342676 1155662741 /nfs/dbraw/zinc/66/27/41/1155662741.db2.gz POIOXQHIUFTYLP-LXVYMNJGSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](CNC(=O)C1(C(F)F)CC1)NCc1ccc(C#N)s1 ZINC001390375542 1155685131 /nfs/dbraw/zinc/68/51/31/1155685131.db2.gz IRABJKAMEWZDRQ-SECBINFHSA-N 0 3 313.373 2.259 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CCC1(F)F)NCc1ccc(C#N)s1 ZINC001390413326 1155707687 /nfs/dbraw/zinc/70/76/87/1155707687.db2.gz WCTHTDVMNGQICD-SKDRFNHKSA-N 0 3 313.373 2.259 20 30 DEEDHN CC(=O)CCCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001371114766 1155716171 /nfs/dbraw/zinc/71/61/71/1155716171.db2.gz MYZJRIXQWRXITR-GFCCVEGCSA-N 0 3 319.380 2.051 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(CC(C)C)c1 ZINC001390701540 1155842808 /nfs/dbraw/zinc/84/28/08/1155842808.db2.gz RLPQOBRXOHYTIG-ZDUSSCGKSA-N 0 3 312.845 2.390 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cn3c(n2)CCC3)CCCC1 ZINC001391763619 1156788332 /nfs/dbraw/zinc/78/83/32/1156788332.db2.gz FWUXSEYEVVMBND-UHFFFAOYSA-N 0 3 322.840 2.214 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)Cc2c[nH]cn2)CCCC1 ZINC001391767891 1156791283 /nfs/dbraw/zinc/79/12/83/1156791283.db2.gz ANNTXPSHAJALFZ-GFCCVEGCSA-N 0 3 324.856 2.359 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)Cc2c[nH]cn2)CCCC1 ZINC001391767896 1156791544 /nfs/dbraw/zinc/79/15/44/1156791544.db2.gz ANNTXPSHAJALFZ-LBPRGKRZSA-N 0 3 324.856 2.359 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)c1 ZINC001373156284 1156875356 /nfs/dbraw/zinc/87/53/56/1156875356.db2.gz TVIFSNVQFBSFIW-GEIFVHNQSA-N 0 3 306.797 2.081 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](CNC(=O)C1CC1)C(C)C ZINC001392201283 1156889629 /nfs/dbraw/zinc/88/96/29/1156889629.db2.gz FHQNNVBONGLFFT-INIZCTEOSA-N 0 3 315.417 2.207 20 30 DEEDHN CC(C)c1cccc(CNC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001392774979 1157403237 /nfs/dbraw/zinc/40/32/37/1157403237.db2.gz URBMIMRKQASKKD-GUYCJALGSA-N 0 3 314.433 2.349 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H](NC(=O)[C@@H](C)C#N)C1CC1 ZINC001392775680 1157404762 /nfs/dbraw/zinc/40/47/62/1157404762.db2.gz WIYMBAAJHBQSLG-XJKSGUPXSA-N 0 3 315.417 2.148 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1nccs1 ZINC001374084921 1157608346 /nfs/dbraw/zinc/60/83/46/1157608346.db2.gz FJDQMPRNUFNQEY-LBPRGKRZSA-N 0 3 314.414 2.170 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001374330562 1157815091 /nfs/dbraw/zinc/81/50/91/1157815091.db2.gz QIKICOSGNRIITL-HOCLYGCPSA-N 0 3 323.868 2.478 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@H](C)OCC)C(C)C ZINC001374413569 1157846103 /nfs/dbraw/zinc/84/61/03/1157846103.db2.gz YDXZELKFCCAOFA-RYUDHWBXSA-N 0 3 321.259 2.050 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2ccc(C)cc2n1 ZINC001393813634 1158005029 /nfs/dbraw/zinc/00/50/29/1158005029.db2.gz MRGDTPYCUAGGRY-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN CCO[C@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001374753522 1158007063 /nfs/dbraw/zinc/00/70/63/1158007063.db2.gz CJZPVPZYYOFBID-DOMZBBRYSA-N 0 3 323.462 2.275 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001393891795 1158049127 /nfs/dbraw/zinc/04/91/27/1158049127.db2.gz VBIGJGXGRCPMHG-WXRRBKDZSA-N 0 3 322.840 2.067 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)C1CCC1 ZINC001393911305 1158062029 /nfs/dbraw/zinc/06/20/29/1158062029.db2.gz RIDWCAMIBRGXBG-VXGBXAGGSA-N 0 3 303.381 2.480 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccco1)NCc1ccc(C#N)s1 ZINC001403511812 1162921705 /nfs/dbraw/zinc/92/17/05/1162921705.db2.gz GXTYPUMGVLUUQV-LLVKDONJSA-N 0 3 303.387 2.463 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001393962053 1158101632 /nfs/dbraw/zinc/10/16/32/1158101632.db2.gz IOJFDDQXOHMUHV-ZJUUUORDSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001375548945 1158809549 /nfs/dbraw/zinc/80/95/49/1158809549.db2.gz SHRKDTDUTMGFCI-BPNCWPANSA-N 0 3 324.856 2.367 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001376018682 1159053207 /nfs/dbraw/zinc/05/32/07/1159053207.db2.gz LTXVRLKIKIBLTM-OCCSQVGLSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)[nH]n1 ZINC001376018682 1159053213 /nfs/dbraw/zinc/05/32/13/1159053213.db2.gz LTXVRLKIKIBLTM-OCCSQVGLSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001376022319 1159055727 /nfs/dbraw/zinc/05/57/27/1159055727.db2.gz UMFLBSBGSILAFA-CHWSQXEVSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cn1nccc1C ZINC001376026122 1159059110 /nfs/dbraw/zinc/05/91/10/1159059110.db2.gz SRRNGVUDESTTTI-LSDHHAIUSA-N 0 3 324.856 2.303 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001376684544 1159678558 /nfs/dbraw/zinc/67/85/58/1159678558.db2.gz MATGSTWTYACILM-CQSZACIVSA-N 0 3 310.829 2.066 20 30 DEEDHN C[C@@H](CNC(=O)c1cncc(F)c1)NCc1ccc(C#N)s1 ZINC001376707714 1159710571 /nfs/dbraw/zinc/71/05/71/1159710571.db2.gz QUEHZBLLHRVJNG-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nn(C)c2c1CCCC2 ZINC001377086139 1159895041 /nfs/dbraw/zinc/89/50/41/1159895041.db2.gz WGTZOBQDLDLHQT-LBPRGKRZSA-N 0 3 324.856 2.149 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C2CC2)CCOCC1 ZINC001377184554 1160017621 /nfs/dbraw/zinc/01/76/21/1160017621.db2.gz MRJWRZSZMCXREC-LBPRGKRZSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001397686326 1160400308 /nfs/dbraw/zinc/40/03/08/1160400308.db2.gz UYFOBUXUVTXOEX-HDJSIYSDSA-N 0 3 324.856 2.196 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2cccnn21 ZINC001377495095 1160428276 /nfs/dbraw/zinc/42/82/76/1160428276.db2.gz OKCNYAFKRHCOEE-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN Cc1nocc1CN1CC[C@@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C1 ZINC001397815809 1160538287 /nfs/dbraw/zinc/53/82/87/1160538287.db2.gz RWSLDQZTBLUKLH-SWLSCSKDSA-N 0 3 318.421 2.250 20 30 DEEDHN CCC(=O)NCC[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001377680684 1160719387 /nfs/dbraw/zinc/71/93/87/1160719387.db2.gz UVRWFHWHPNITIL-ZDUSSCGKSA-N 0 3 303.381 2.436 20 30 DEEDHN Cc1ccc(F)c(CN[C@H](CNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001398376460 1160869586 /nfs/dbraw/zinc/86/95/86/1160869586.db2.gz NXZDEYAYZGDYMT-MLGOLLRUSA-N 0 3 303.381 2.278 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001398449359 1160894103 /nfs/dbraw/zinc/89/41/03/1160894103.db2.gz AMXFHMGJKUIPCY-LSDHHAIUSA-N 0 3 313.873 2.004 20 30 DEEDHN CC[C@H](SC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001398931701 1161156397 /nfs/dbraw/zinc/15/63/97/1161156397.db2.gz SUGLXRWULUKYNC-ABAIWWIYSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@@H](CCNC(=O)c1cc(F)c[nH]1)NCc1ccccc1C#N ZINC001399373050 1161367477 /nfs/dbraw/zinc/36/74/77/1161367477.db2.gz QLLVZLNUYVSDGE-LBPRGKRZSA-N 0 3 314.364 2.324 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001400603509 1161781111 /nfs/dbraw/zinc/78/11/11/1161781111.db2.gz BFXGUKWUEHIUPP-WFASDCNBSA-N 0 3 305.809 2.233 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1coc(CC)n1)C1CC1 ZINC001400971069 1161853661 /nfs/dbraw/zinc/85/36/61/1161853661.db2.gz DJAOHFXJHOZZDR-OAHLLOKOSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccnn2C)CCCC[C@@H]1C ZINC001401040304 1161863465 /nfs/dbraw/zinc/86/34/65/1161863465.db2.gz MIDPWOGUARWWRD-LRDDRELGSA-N 0 3 324.856 2.441 20 30 DEEDHN CCN(CCNC(=O)C(C)(C)F)Cc1ccc(OCC#N)cc1 ZINC001492901044 1161889305 /nfs/dbraw/zinc/88/93/05/1161889305.db2.gz HTZFNPATLFXQOU-UHFFFAOYSA-N 0 3 321.396 2.275 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C1CC1)NCc1cc(C#N)ccc1F ZINC001401313569 1161926094 /nfs/dbraw/zinc/92/60/94/1161926094.db2.gz UGBAWGNBZDVTGR-MRXNPFEDSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC001401344208 1161939865 /nfs/dbraw/zinc/93/98/65/1161939865.db2.gz OUAPDRIKHICGMW-MQYQWHSLSA-N 0 3 300.830 2.037 20 30 DEEDHN C=C(Cl)Cn1c(CC)nnc1N1CCN(CC2CC2)CC1 ZINC001401402441 1161976241 /nfs/dbraw/zinc/97/62/41/1161976241.db2.gz UUGPQASHJOOWJF-UHFFFAOYSA-N 0 3 309.845 2.125 20 30 DEEDHN Cc1nscc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001401614139 1162045819 /nfs/dbraw/zinc/04/58/19/1162045819.db2.gz MZAZUBPPWPACFI-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@](C)(CNCc2c(F)cccc2F)C1 ZINC001402169990 1162273524 /nfs/dbraw/zinc/27/35/24/1162273524.db2.gz ZLCYRKRUTPUXFJ-SJCJKPOMSA-N 0 3 321.371 2.453 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCn2ccnc2)CCCC1 ZINC001405382668 1164068988 /nfs/dbraw/zinc/06/89/88/1164068988.db2.gz FJDZVVUQJWKQIA-UHFFFAOYSA-N 0 3 310.829 2.044 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001405441707 1164093869 /nfs/dbraw/zinc/09/38/69/1164093869.db2.gz AMWWELMMNWEXFP-ZDUSSCGKSA-N 0 3 315.826 2.089 20 30 DEEDHN COC(=O)CC1(NC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC001417663391 1167122402 /nfs/dbraw/zinc/12/24/02/1167122402.db2.gz LRWXWMWGUKPGKN-HNNXBMFYSA-N 0 3 314.385 2.361 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2ccncc2)C1 ZINC001417789252 1167214822 /nfs/dbraw/zinc/21/48/22/1167214822.db2.gz PSCCUJLYRQFYNG-SHTZXODSSA-N 0 3 307.825 2.251 20 30 DEEDHN Cc1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)[nH]c(=O)c1 ZINC001418143665 1167435966 /nfs/dbraw/zinc/43/59/66/1167435966.db2.gz JFVPRIYVNNRZDH-AWEZNQCLSA-N 0 3 306.325 2.288 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001419623325 1168701869 /nfs/dbraw/zinc/70/18/69/1168701869.db2.gz XUHVGEPMRPZQLI-WFASDCNBSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c2c(nn1C)CCCC2 ZINC001420113550 1169174062 /nfs/dbraw/zinc/17/40/62/1169174062.db2.gz ZUAAQODTHUYHCI-GFCCVEGCSA-N 0 3 324.856 2.149 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@](C)(CNCc2cc(C3CC3)no2)C1 ZINC001421235806 1171621064 /nfs/dbraw/zinc/62/10/64/1171621064.db2.gz ZNEGMUUDPOQFPT-SJKOYZFVSA-N 0 3 316.405 2.040 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001421872189 1172074521 /nfs/dbraw/zinc/07/45/21/1172074521.db2.gz LPBVEODAYXCPLJ-UONOGXRCSA-N 0 3 303.406 2.100 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(N(C)C)ccn1)C(C)C ZINC001422140748 1172337272 /nfs/dbraw/zinc/33/72/72/1172337272.db2.gz KUQKWLMOBGUUKM-HNNXBMFYSA-N 0 3 324.856 2.244 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cn(CC)nc2C)C1 ZINC001422275144 1172453987 /nfs/dbraw/zinc/45/39/87/1172453987.db2.gz FRYHXWQTVLWGAC-UHFFFAOYSA-N 0 3 310.829 2.062 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](C)NC(=O)CCCF ZINC001422367337 1172521791 /nfs/dbraw/zinc/52/17/91/1172521791.db2.gz JSOJONZTEICRBL-QWHCGFSZSA-N 0 3 321.396 2.299 20 30 DEEDHN CC(C)SCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001422463765 1172613054 /nfs/dbraw/zinc/61/30/54/1172613054.db2.gz UDQGXTSBHDQMOU-GFCCVEGCSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC001422574010 1172722016 /nfs/dbraw/zinc/72/20/16/1172722016.db2.gz PFEIZKJRNLUBJZ-NSHDSACASA-N 0 3 306.797 2.366 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccns1 ZINC001422652205 1172792107 /nfs/dbraw/zinc/79/21/07/1172792107.db2.gz JVGPSZDLCBAEHE-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccccn1 ZINC001422775716 1172854226 /nfs/dbraw/zinc/85/42/26/1172854226.db2.gz QEVPDINEPDTEEC-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[C@@H]2CCCO2)C1 ZINC001422892097 1172898364 /nfs/dbraw/zinc/89/83/64/1172898364.db2.gz ZPMBZLONAABMIU-IHRRRGAJSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnc3ccccn32)C1 ZINC001422913763 1172924427 /nfs/dbraw/zinc/92/44/27/1172924427.db2.gz RKDCYQDFCITYMK-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@@H](CN(C)C(=O)C1=COCCC1)NCc1ccc(C#N)s1 ZINC001423045016 1173040505 /nfs/dbraw/zinc/04/05/05/1173040505.db2.gz IUADAZQBVFXFSN-LBPRGKRZSA-N 0 3 319.430 2.251 20 30 DEEDHN CC(C)CC(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001423174717 1173145296 /nfs/dbraw/zinc/14/52/96/1173145296.db2.gz VNGACZPAKWWEKV-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN N#CC1(c2ccc(CN3CCC([C@@H](F)C(N)=O)CC3)cc2)CC1 ZINC001423426698 1173345610 /nfs/dbraw/zinc/34/56/10/1173345610.db2.gz RJLJLAVEYRDTDV-MRXNPFEDSA-N 0 3 315.392 2.277 20 30 DEEDHN CCOCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001424549237 1173827481 /nfs/dbraw/zinc/82/74/81/1173827481.db2.gz WPRQBRLDCACQTP-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H](OC)C(F)(F)F ZINC001424603418 1173846839 /nfs/dbraw/zinc/84/68/39/1173846839.db2.gz UVKBAMBGMNZWSU-UWVGGRQHSA-N 0 3 316.751 2.191 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(Cc2cccc3cccnc32)C1 ZINC001425233039 1174250225 /nfs/dbraw/zinc/25/02/25/1174250225.db2.gz MRSYKDSVFWLFBV-KGLIPLIRSA-N 0 3 322.412 2.331 20 30 DEEDHN CC(C)c1cccc(CNC2CC(N(C)C(=O)[C@H](C)C#N)C2)n1 ZINC001426231280 1174661795 /nfs/dbraw/zinc/66/17/95/1174661795.db2.gz GRQQYXZOKZAUFM-IUDNXUCKSA-N 0 3 314.433 2.444 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ncccn3)CC2)cc1 ZINC001434489420 1178657215 /nfs/dbraw/zinc/65/72/15/1178657215.db2.gz HIWCKVKGXBDFML-KRWDZBQOSA-N 0 3 308.385 2.261 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001436835488 1179271608 /nfs/dbraw/zinc/27/16/08/1179271608.db2.gz FYYDDWCJOSDCEQ-DZGCQCFKSA-N 0 3 320.412 2.418 20 30 DEEDHN Cc1cnccc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001437137850 1179470382 /nfs/dbraw/zinc/47/03/82/1179470382.db2.gz UUIHBLKYCPDRAS-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001438344989 1180360153 /nfs/dbraw/zinc/36/01/53/1180360153.db2.gz NDZZBCVUXCDATP-GJZGRUSLSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCO[C@H]1CC)C1CC1 ZINC001438417327 1180402159 /nfs/dbraw/zinc/40/21/59/1180402159.db2.gz CPTUAOMUNSXBIO-IJEWVQPXSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccn(CC)n1)C1CC1 ZINC001438426281 1180411985 /nfs/dbraw/zinc/41/19/85/1180411985.db2.gz SOAJITKATAOVPH-HNNXBMFYSA-N 0 3 310.829 2.144 20 30 DEEDHN Cc1ncsc1CN1CCC(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001438451479 1180446446 /nfs/dbraw/zinc/44/64/46/1180446446.db2.gz WDKVYSRVPDHKRB-LBPRGKRZSA-N 0 3 320.462 2.330 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001438487932 1180490213 /nfs/dbraw/zinc/49/02/13/1180490213.db2.gz NBSDVDLAPPPEKY-CQDKDKBSSA-N 0 3 321.371 2.301 20 30 DEEDHN Cc1ncsc1CNC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N ZINC001438721729 1180792636 /nfs/dbraw/zinc/79/26/36/1180792636.db2.gz FSSGHFWNJYSOIS-DGCLKSJQSA-N 0 3 308.451 2.232 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C1=COCCC1 ZINC001439302924 1181004759 /nfs/dbraw/zinc/00/47/59/1181004759.db2.gz IEMZIFRQMGTLFI-AWEZNQCLSA-N 0 3 313.401 2.189 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)C(C)(F)F)C1 ZINC001440737609 1181666802 /nfs/dbraw/zinc/66/68/02/1181666802.db2.gz DQAZTSQGFVRISH-UHFFFAOYSA-N 0 3 311.170 2.035 20 30 DEEDHN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)NCC=C(Cl)Cl ZINC001440783139 1181689447 /nfs/dbraw/zinc/68/94/47/1181689447.db2.gz MSKJZWFESXXZKI-DTWKUNHWSA-N 0 3 315.204 2.302 20 30 DEEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)[C@H](C)OC ZINC001440880232 1181740708 /nfs/dbraw/zinc/74/07/08/1181740708.db2.gz QAXGMXZJSCBBIS-NSHDSACASA-N 0 3 321.259 2.004 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001441371256 1181960156 /nfs/dbraw/zinc/96/01/56/1181960156.db2.gz BVLWVSFXFZTVBS-HAQNSBGRSA-N 0 3 313.854 2.231 20 30 DEEDHN CS[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441507769 1182031150 /nfs/dbraw/zinc/03/11/50/1182031150.db2.gz WKETXIFXQGBTQS-NWDGAFQWSA-N 0 3 323.437 2.385 20 30 DEEDHN C[C@@H](CNC(=O)CC[C@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001441761985 1182150505 /nfs/dbraw/zinc/15/05/05/1182150505.db2.gz KLKNBSZGMBHTMF-QWHCGFSZSA-N 0 3 321.446 2.173 20 30 DEEDHN C[C@H](CNC(=O)C1CC2(CC2)C1)NCc1ccc(C#N)s1 ZINC001441947331 1182263594 /nfs/dbraw/zinc/26/35/94/1182263594.db2.gz 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ZINC001088002021 779626871 /nfs/dbraw/zinc/62/68/71/779626871.db2.gz MEUCWSOWIVESDX-KGLIPLIRSA-N 0 3 317.820 2.071 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccs3)C[C@@H]2C1 ZINC001088103016 779703423 /nfs/dbraw/zinc/70/34/23/779703423.db2.gz GQKAYMRKCUVDQS-KFWWJZLASA-N 0 3 302.443 2.265 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](F)c3ccccc3)C[C@@H]2C1 ZINC001088122316 779714127 /nfs/dbraw/zinc/71/41/27/779714127.db2.gz WYDGLJVEFSTBSI-IKGGRYGDSA-N 0 3 300.377 2.111 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001073593327 790730080 /nfs/dbraw/zinc/73/00/80/790730080.db2.gz LWYTYQCXQGTQAE-OAHLLOKOSA-N 0 3 306.406 2.293 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C3CC3)C3CC3)C[C@@H]2C1 ZINC001088165729 779738349 /nfs/dbraw/zinc/73/83/49/779738349.db2.gz UKPHVJNHCMVRQH-SJORKVTESA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@H]2C1 ZINC001088191420 779765201 /nfs/dbraw/zinc/76/52/01/779765201.db2.gz YSMPMHGADFHDPE-SJORKVTESA-N 0 3 308.425 2.132 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001088236035 779792785 /nfs/dbraw/zinc/79/27/85/779792785.db2.gz JMWIQGQKBAIRJL-JKSUJKDBSA-N 0 3 312.429 2.250 20 30 DEEDHN Cc1noc(C)c1CN[C@@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088280008 779901216 /nfs/dbraw/zinc/90/12/16/779901216.db2.gz HBUDKZBMDYQACH-IUODEOHRSA-N 0 3 318.421 2.312 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@@H](NCc2cncc(F)c2)C1 ZINC001088281323 779903537 /nfs/dbraw/zinc/90/35/37/779903537.db2.gz LFFDZFJOOXJNEB-CZUORRHYSA-N 0 3 318.396 2.241 20 30 DEEDHN Cc1oncc1CN[C@H]1CCCCCN(C(=O)C#CC2CC2)C1 ZINC001088313207 779936944 /nfs/dbraw/zinc/93/69/44/779936944.db2.gz REYVHJYVFXWJNF-KRWDZBQOSA-N 0 3 315.417 2.257 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4cc(C)cn4c3)[C@@H]2C1 ZINC001075867886 779941657 /nfs/dbraw/zinc/94/16/57/779941657.db2.gz MUDIYWNTJTXRMJ-QFBILLFUSA-N 0 3 321.424 2.417 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001073625542 790750913 /nfs/dbraw/zinc/75/09/13/790750913.db2.gz GBKOCRUUFGBNLT-QGZVFWFLSA-N 0 3 317.433 2.095 20 30 DEEDHN C[C@H](C(=O)N1CCCCC[C@@H](NCC#N)C1)N1CCCCCC1 ZINC001088393368 780066104 /nfs/dbraw/zinc/06/61/04/780066104.db2.gz CFELDVJXOZPUIS-IAGOWNOFSA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001073657615 790771100 /nfs/dbraw/zinc/77/11/00/790771100.db2.gz KNKMWTANHHXZRD-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(C#N)cn1)CC2 ZINC001144158892 790781536 /nfs/dbraw/zinc/78/15/36/790781536.db2.gz TWLVSQXCKOZPAX-LJQANCHMSA-N 0 3 324.428 2.486 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001073706144 790803711 /nfs/dbraw/zinc/80/37/11/790803711.db2.gz JMTMVYJTHHAWOF-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cscn2)[C@H](OC)C1 ZINC001211997475 780577938 /nfs/dbraw/zinc/57/79/38/780577938.db2.gz WFMLBSNMPFMDOU-UKRRQHHQSA-N 0 3 323.462 2.319 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3nc(C)sc3C)[C@@H]2C1 ZINC001075950574 780896240 /nfs/dbraw/zinc/89/62/40/780896240.db2.gz NJFYXELLZLFDJG-GOEBONIOSA-N 0 3 319.474 2.411 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2onc3c2CCCC3)[C@H]1C ZINC001088746269 780926832 /nfs/dbraw/zinc/92/68/32/780926832.db2.gz UFMXXYVUWCOPNG-OCCSQVGLSA-N 0 3 303.406 2.322 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)[C@@H]2C1 ZINC001075981481 780954239 /nfs/dbraw/zinc/95/42/39/780954239.db2.gz JOBGLWKZMLYXBT-XJKSGUPXSA-N 0 3 314.433 2.011 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@H]1C ZINC001088781758 780980054 /nfs/dbraw/zinc/98/00/54/780980054.db2.gz FNHWNZQUMGLJGL-PBHICJAKSA-N 0 3 314.429 2.319 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCCCO2)[C@H](OC)C1 ZINC001212122039 781008904 /nfs/dbraw/zinc/00/89/04/781008904.db2.gz CTYSNOJHIPPWDJ-BRWVUGGUSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCc3cccnc32)[C@H]1C ZINC001088810823 781025087 /nfs/dbraw/zinc/02/50/87/781025087.db2.gz WRWGPISLPVYAEK-OIISXLGYSA-N 0 3 311.429 2.104 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001076010493 781076226 /nfs/dbraw/zinc/07/62/26/781076226.db2.gz YOYMFILZPBROLZ-LZLYRXPVSA-N 0 3 312.413 2.099 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(F)c(F)cc3F)[C@@H]2C1 ZINC001076190536 781159054 /nfs/dbraw/zinc/15/90/54/781159054.db2.gz JURODGMQLIAACV-MEDUHNTESA-N 0 3 322.330 2.274 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC001160546053 790860168 /nfs/dbraw/zinc/86/01/68/790860168.db2.gz SCIYQCREXNTKAK-WBVHZDCISA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001076313156 781213079 /nfs/dbraw/zinc/21/30/79/781213079.db2.gz MHTARQXIEBDAFV-JQHSSLGASA-N 0 3 318.461 2.280 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3occ4c3CCCC4)[C@@H]2C1 ZINC001076501832 781288980 /nfs/dbraw/zinc/28/89/80/781288980.db2.gz FSYRGADQFLSSGZ-WMLDXEAASA-N 0 3 312.413 2.328 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccccc3CC)[C@@H]2C1 ZINC001076525079 781295267 /nfs/dbraw/zinc/29/52/67/781295267.db2.gz VEFLUHGZFLQPGT-DLBZAZTESA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc(OCC)c3)[C@@H]2C1 ZINC001076614585 781328918 /nfs/dbraw/zinc/32/89/18/781328918.db2.gz UESXOZUOLNOKLK-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(OCC)nc2)C1 ZINC001091057835 790872996 /nfs/dbraw/zinc/87/29/96/790872996.db2.gz CTXSMKKFUWPARW-UHFFFAOYSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001073794437 790878533 /nfs/dbraw/zinc/87/85/33/790878533.db2.gz INOSUBPCAVMBEF-HNNXBMFYSA-N 0 3 305.422 2.028 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001083564252 781492076 /nfs/dbraw/zinc/49/20/76/781492076.db2.gz UDYWHECQYPYKAW-BBWFWOEESA-N 0 3 306.450 2.250 20 30 DEEDHN CCC[C@H](C)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101164935 781672016 /nfs/dbraw/zinc/67/20/16/781672016.db2.gz GJZRAEGKQANWJL-SCTDSRPQSA-N 0 3 320.477 2.243 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccncc2CC)C1 ZINC001091108148 790909560 /nfs/dbraw/zinc/90/95/60/790909560.db2.gz VPZKGHHUSNQLFN-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001073866844 790924878 /nfs/dbraw/zinc/92/48/78/790924878.db2.gz GUUMMIVBQNZDNB-KRWDZBQOSA-N 0 3 318.417 2.092 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC001073865648 790925135 /nfs/dbraw/zinc/92/51/35/790925135.db2.gz LHTSVRKCFIRIHY-AWEZNQCLSA-N 0 3 320.820 2.184 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C2CC2)C[C@@H]1C ZINC000947895296 783261489 /nfs/dbraw/zinc/26/14/89/783261489.db2.gz KISRBODKAGVXLR-JSGCOSHPSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)C[C@@H]1C ZINC000947899012 783261801 /nfs/dbraw/zinc/26/18/01/783261801.db2.gz COXVULVOPHVBMM-KSSFIOAISA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2C(F)F)C[C@@H]1C ZINC000947917373 783267780 /nfs/dbraw/zinc/26/77/80/783267780.db2.gz WNHYFVCYUCOYJT-QWRGUYRKSA-N 0 3 312.364 2.126 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2OC)C[C@H]1C ZINC000947949719 783277163 /nfs/dbraw/zinc/27/71/63/783277163.db2.gz ZKVHGRQJQALBLE-CABCVRRESA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2OC)C[C@H]1C ZINC000947971460 783281180 /nfs/dbraw/zinc/28/11/80/783281180.db2.gz NCWVKPXOAFAJHY-KGLIPLIRSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001089621116 783287854 /nfs/dbraw/zinc/28/78/54/783287854.db2.gz NVDWAUKJJHCSBY-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000947993810 783289350 /nfs/dbraw/zinc/28/93/50/783289350.db2.gz IKJMYFLEWDTIDM-YOEHRIQHSA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001089625092 783291224 /nfs/dbraw/zinc/29/12/24/783291224.db2.gz JWLZCSDDQLDCPI-MRXNPFEDSA-N 0 3 317.408 2.464 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3nccnc3c2)C[C@@H]1C ZINC000948011798 783292738 /nfs/dbraw/zinc/29/27/38/783292738.db2.gz LDQGXTBMBVXPBX-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@@H]2O)C1 ZINC001083763434 783295032 /nfs/dbraw/zinc/29/50/32/783295032.db2.gz KLUVFDYKKIIWKW-CVEARBPZSA-N 0 3 318.461 2.084 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncnc2C(C)C)C[C@H]1C ZINC000948047273 783303545 /nfs/dbraw/zinc/30/35/45/783303545.db2.gz BQMFNQCQRKXZNB-CABCVRRESA-N 0 3 314.433 2.206 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2csc(COC)n2)C[C@@H]1C ZINC000948087257 783316816 /nfs/dbraw/zinc/31/68/16/783316816.db2.gz YDOPRJFHTVZZNU-RYUDHWBXSA-N 0 3 309.435 2.058 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001089663881 783333086 /nfs/dbraw/zinc/33/30/86/783333086.db2.gz WYVKHUTXJUZNHN-AWEZNQCLSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001073876949 790933275 /nfs/dbraw/zinc/93/32/75/790933275.db2.gz RBFFFKSROBCCJN-QGZVFWFLSA-N 0 3 314.429 2.147 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccn1 ZINC001089712119 783374358 /nfs/dbraw/zinc/37/43/58/783374358.db2.gz LYGYIBTYAKBFKW-CQSZACIVSA-N 0 3 302.422 2.273 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2cnc(C)[nH]2)CC1 ZINC000948248996 783393026 /nfs/dbraw/zinc/39/30/26/783393026.db2.gz MGUMZZZOCHFYAH-ZDUSSCGKSA-N 0 3 310.829 2.397 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001089730371 783394779 /nfs/dbraw/zinc/39/47/79/783394779.db2.gz ZFRPSOZQBNQDCX-CQSZACIVSA-N 0 3 303.406 2.194 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC ZINC001212320831 783448911 /nfs/dbraw/zinc/44/89/11/783448911.db2.gz CQBANEVSMVYQFB-NUEKZKHPSA-N 0 3 312.429 2.318 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnn(C)c2Cl)CC1 ZINC000948554151 783500195 /nfs/dbraw/zinc/50/01/95/783500195.db2.gz RGZQHUXOTGYIBH-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC000966239859 783607096 /nfs/dbraw/zinc/60/70/96/783607096.db2.gz XITDMGYOLDIYSR-WMLDXEAASA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966488467 783672371 /nfs/dbraw/zinc/67/23/71/783672371.db2.gz HQQLGGKZVJAEGZ-HIFRSBDPSA-N 0 3 321.490 2.436 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001091174906 790970070 /nfs/dbraw/zinc/97/00/70/790970070.db2.gz PDTPNJMDBSLZQR-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966850618 783781816 /nfs/dbraw/zinc/78/18/16/783781816.db2.gz WGQPXMWLFGHANC-RDJZCZTQSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899118 783803929 /nfs/dbraw/zinc/80/39/29/783803929.db2.gz BNOGIEVNPLEBMJ-CXAGYDPISA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC000966908031 783813167 /nfs/dbraw/zinc/81/31/67/783813167.db2.gz JLRPMNDYTKQWAO-SMDDNHRTSA-N 0 3 324.375 2.431 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085618530 783886842 /nfs/dbraw/zinc/88/68/42/783886842.db2.gz OYBPVORYUGWVNY-HNNXBMFYSA-N 0 3 302.422 2.206 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000967125801 783890413 /nfs/dbraw/zinc/89/04/13/783890413.db2.gz WQCNFEZYQWACDU-GDBMZVCRSA-N 0 3 316.449 2.102 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001085629940 783904314 /nfs/dbraw/zinc/90/43/14/783904314.db2.gz GSYYBODPACJZMK-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(COC)c2)C1 ZINC000967269153 783918242 /nfs/dbraw/zinc/91/82/42/783918242.db2.gz SLVJNMYAFRAUMH-QAPCUYQASA-N 0 3 314.429 2.297 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287826 783933203 /nfs/dbraw/zinc/93/32/03/783933203.db2.gz IVFIEXDPAZMZSB-UKRRQHHQSA-N 0 3 306.406 2.442 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339579 783958301 /nfs/dbraw/zinc/95/83/01/783958301.db2.gz SWADSTZGBORSST-SCLBCKFNSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc2ccccn12 ZINC001085683238 783963294 /nfs/dbraw/zinc/96/32/94/783963294.db2.gz LYBUOKJAMSIJMX-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCOC2 ZINC001085718574 784003607 /nfs/dbraw/zinc/00/36/07/784003607.db2.gz UUQVTHCLPMJKFF-MRXNPFEDSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721447 784008747 /nfs/dbraw/zinc/00/87/47/784008747.db2.gz WGEAQEPPJSXNPC-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@@H](C)C1 ZINC001073976755 790994391 /nfs/dbraw/zinc/99/43/91/790994391.db2.gz GFVWNLLCCJRAIC-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCc2ccccc2O1 ZINC001085878261 784169438 /nfs/dbraw/zinc/16/94/38/784169438.db2.gz XMJFKZKUDOSJNZ-FUHWJXTLSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967967375 784190192 /nfs/dbraw/zinc/19/01/92/784190192.db2.gz LVQUOIOXXVXMTJ-RHSMWYFYSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2nsnc21 ZINC001085902463 784193432 /nfs/dbraw/zinc/19/34/32/784193432.db2.gz DEVIBXFMKMJHRW-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)C[C@H]1CCN1CC(C)C ZINC001085917398 784210808 /nfs/dbraw/zinc/21/08/08/784210808.db2.gz YRFHQMLNKLGQHE-OAHLLOKOSA-N 0 3 317.433 2.449 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(N(C)C)c1 ZINC001085945883 784239524 /nfs/dbraw/zinc/23/95/24/784239524.db2.gz TUZDCIZSIQEDAQ-QGZVFWFLSA-N 0 3 301.434 2.475 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001085950615 784245026 /nfs/dbraw/zinc/24/50/26/784245026.db2.gz KKBMSXXKZRLEIZ-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085959012 784258118 /nfs/dbraw/zinc/25/81/18/784258118.db2.gz QDKJWFFPWHHUJP-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC000968480465 784410186 /nfs/dbraw/zinc/41/01/86/784410186.db2.gz MGRQGKIRXYUPDA-CJNGLKHVSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001086113483 784416758 /nfs/dbraw/zinc/41/67/58/784416758.db2.gz AJXDGXHZKXUHLZ-BJHJDKERSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(C)CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968503969 784430934 /nfs/dbraw/zinc/43/09/34/784430934.db2.gz CXJQENHCXCQAHI-CZUORRHYSA-N 0 3 317.433 2.090 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cncc3[nH]ccc32)C1 ZINC001086137867 784432620 /nfs/dbraw/zinc/43/26/20/784432620.db2.gz FPLUYLHMUWVGTG-TXEJJXNPSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC000968505822 784432813 /nfs/dbraw/zinc/43/28/13/784432813.db2.gz QXKVKVUHOOKBRO-YOEHRIQHSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(CC)CC[C@@H]1C ZINC000968520903 784444500 /nfs/dbraw/zinc/44/45/00/784444500.db2.gz OKEDZVUIZMGNJK-KBPBESRZSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001086157910 784449062 /nfs/dbraw/zinc/44/90/62/784449062.db2.gz KEWBPQGMVWSSOH-BETUJISGSA-N 0 3 310.829 2.315 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968578515 784476781 /nfs/dbraw/zinc/47/67/81/784476781.db2.gz GJKPOHDFCPAUIN-PBHICJAKSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968605685 784496404 /nfs/dbraw/zinc/49/64/04/784496404.db2.gz CBNDDWHYGFZKBD-WBMJQRKESA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2OC)C1 ZINC000968618284 784503302 /nfs/dbraw/zinc/50/33/02/784503302.db2.gz FCODBZKNSPRGFE-NVXWUHKLSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2OC)C1 ZINC000968618286 784504166 /nfs/dbraw/zinc/50/41/66/784504166.db2.gz FCODBZKNSPRGFE-WBVHZDCISA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(CC(C)C)c2)C1 ZINC001086235228 784511760 /nfs/dbraw/zinc/51/17/60/784511760.db2.gz YOHCKHZWASHMQF-OTVXOJSOSA-N 0 3 324.856 2.390 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001086246102 784519153 /nfs/dbraw/zinc/51/91/53/784519153.db2.gz MIUWEBFKALIIAP-TXEJJXNPSA-N 0 3 311.813 2.396 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC000968656189 784525309 /nfs/dbraw/zinc/52/53/09/784525309.db2.gz XZXKZLWAISLGQN-RHSMWYFYSA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC000968656190 784525404 /nfs/dbraw/zinc/52/54/04/784525404.db2.gz XZXKZLWAISLGQN-WMLDXEAASA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)CC1 ZINC001066463197 784528027 /nfs/dbraw/zinc/52/80/27/784528027.db2.gz RIZJFMWIRNBXTO-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001086367031 784625758 /nfs/dbraw/zinc/62/57/58/784625758.db2.gz VJJJLJPKNAKZSF-MRVWCRGKSA-N 0 3 322.840 2.067 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC000968869711 784629063 /nfs/dbraw/zinc/62/90/63/784629063.db2.gz XZTLCACIXKFJHI-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC000968923580 784651545 /nfs/dbraw/zinc/65/15/45/784651545.db2.gz XRIQLKTZUULAEQ-CVEARBPZSA-N 0 3 316.449 2.307 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC000968922638 784652667 /nfs/dbraw/zinc/65/26/67/784652667.db2.gz DOXKTALOFISOIR-OAHLLOKOSA-N 0 3 308.401 2.013 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC000968941050 784661489 /nfs/dbraw/zinc/66/14/89/784661489.db2.gz GOYUVWJGYRXKNZ-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC000969002321 784687537 /nfs/dbraw/zinc/68/75/37/784687537.db2.gz QIGLKYUDNVMXOG-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001086415469 784696353 /nfs/dbraw/zinc/69/63/53/784696353.db2.gz QUGMZZCRAVFUJE-HAQNSBGRSA-N 0 3 310.829 2.384 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(COC)o2)C1 ZINC001086423013 784710197 /nfs/dbraw/zinc/71/01/97/784710197.db2.gz IRXFMSXWJLCGSN-HAQNSBGRSA-N 0 3 312.797 2.277 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC000969087564 784721121 /nfs/dbraw/zinc/72/11/21/784721121.db2.gz CRBKSYDIMOYHFK-CQSZACIVSA-N 0 3 304.390 2.286 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(CCF)CC1)C[C@H](C)O2 ZINC001111545492 784817625 /nfs/dbraw/zinc/81/76/25/784817625.db2.gz HUSYUJCPTORKTL-HNNXBMFYSA-N 0 3 324.440 2.394 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001007324981 784887691 /nfs/dbraw/zinc/88/76/91/784887691.db2.gz GDQSEDOSOWGJRU-LSDHHAIUSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001007496231 784935059 /nfs/dbraw/zinc/93/50/59/784935059.db2.gz PJZDRBNBBIKCAM-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C)nc3sccn32)C1 ZINC001007647729 784967544 /nfs/dbraw/zinc/96/75/44/784967544.db2.gz CHCAGSXMHPGVIU-ZDUSSCGKSA-N 0 3 318.446 2.475 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2coc(OCC)n2)C1 ZINC001007792173 785007779 /nfs/dbraw/zinc/00/77/79/785007779.db2.gz NLIXKZOCIBTEKU-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C)nn(C)c2Cl)C1 ZINC001008112608 785110666 /nfs/dbraw/zinc/11/06/66/785110666.db2.gz IANCRIFLINLQII-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(C[C@@H](CC)OC)C2)cc1 ZINC001008150168 785121853 /nfs/dbraw/zinc/12/18/53/785121853.db2.gz SJRHONWOIYRYQA-QZTJIDSGSA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001008335426 785175270 /nfs/dbraw/zinc/17/52/70/785175270.db2.gz YVKKCQRLSZBBAP-OAHLLOKOSA-N 0 3 303.406 2.169 20 30 DEEDHN CC(=O)N1CC[C@@H](N2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001169555028 785237419 /nfs/dbraw/zinc/23/74/19/785237419.db2.gz DWQMDCSITJKBEH-AEFFLSMTSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCN[C@H](C)c1nncn1C ZINC001169706499 785316740 /nfs/dbraw/zinc/31/67/40/785316740.db2.gz SHBNHIHCEOOEMU-UONOGXRCSA-N 0 3 307.442 2.107 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001009061936 785374376 /nfs/dbraw/zinc/37/43/76/785374376.db2.gz DCWPWYBDHKJDIE-OAHLLOKOSA-N 0 3 314.404 2.461 20 30 DEEDHN C[C@@H](CNc1cccc(F)c1C#N)NC(=O)C1(N(C)C)CCC1 ZINC001108562159 785377506 /nfs/dbraw/zinc/37/75/06/785377506.db2.gz HQMWKTNSXMGLFS-LBPRGKRZSA-N 0 3 318.396 2.098 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ncoc2-c2ccon2)C1 ZINC001009220651 785411946 /nfs/dbraw/zinc/41/19/46/785411946.db2.gz PQCRQOPPAIXCDO-LBPRGKRZSA-N 0 3 316.361 2.100 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(OC)cc1F ZINC001169967617 785431301 /nfs/dbraw/zinc/43/13/01/785431301.db2.gz LDOKDTQZERBJER-UHFFFAOYSA-N 0 3 314.788 2.225 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1CC(F)(F)C1 ZINC001156411667 785436617 /nfs/dbraw/zinc/43/66/17/785436617.db2.gz MKLFSKQPCGUOBR-UHFFFAOYSA-N 0 3 311.170 2.036 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cn3ccccc3n2)C1 ZINC001091353073 791118240 /nfs/dbraw/zinc/11/82/40/791118240.db2.gz UHPDXJCWEVEWAO-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCC[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnns1)C2 ZINC001108980106 785658020 /nfs/dbraw/zinc/65/80/20/785658020.db2.gz RBFFPQHWRVFMIK-RNJOBUHISA-N 0 3 306.435 2.228 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCCCF)[nH]1 ZINC001109156419 785733650 /nfs/dbraw/zinc/73/36/50/785733650.db2.gz MBOPETQAAWNZGI-KBMXLJTQSA-N 0 3 318.396 2.361 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)OCC ZINC001109361471 785821420 /nfs/dbraw/zinc/82/14/20/785821420.db2.gz XRWSRKDLDQPLDT-FXUDXRNXSA-N 0 3 312.429 2.439 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109566389 785933264 /nfs/dbraw/zinc/93/32/64/785933264.db2.gz AJHHGAOKJDXVIB-AESZEHBQSA-N 0 3 312.429 2.296 20 30 DEEDHN CC(C)(C)OCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156832144 785977996 /nfs/dbraw/zinc/97/79/96/785977996.db2.gz QWLROAGRPUFAIH-UHFFFAOYSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)[nH]c1C)C2 ZINC001109764856 786018476 /nfs/dbraw/zinc/01/84/76/786018476.db2.gz NBDLDZBCHWYYQA-PVAVHDDUSA-N 0 3 317.433 2.169 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001112813899 786234602 /nfs/dbraw/zinc/23/46/02/786234602.db2.gz DEOOMPVUKNTGOS-GOSISDBHSA-N 0 3 320.477 2.428 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](OC)C1CCCCC1 ZINC001157395057 786341180 /nfs/dbraw/zinc/34/11/80/786341180.db2.gz FSOUFCJZCJFTRO-NVXWUHKLSA-N 0 3 308.466 2.432 20 30 DEEDHN CCN(CC)CC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113073245 786393363 /nfs/dbraw/zinc/39/33/63/786393363.db2.gz UGBXNZCLYFEQSG-STQMWFEESA-N 0 3 320.412 2.344 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCCO2)CCCCC1 ZINC001115395104 786400518 /nfs/dbraw/zinc/40/05/18/786400518.db2.gz DCSQVGGOERVNAX-CYBMUJFWSA-N 0 3 300.830 2.327 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC001113387869 786559198 /nfs/dbraw/zinc/55/91/98/786559198.db2.gz UUFREOPEEBFALM-HOTGVXAUSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001113433240 786592247 /nfs/dbraw/zinc/59/22/47/786592247.db2.gz BDKFKOJMZYZCRT-INIZCTEOSA-N 0 3 318.465 2.471 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCC(=O)NCCC)CC1 ZINC001113557611 786689054 /nfs/dbraw/zinc/68/90/54/786689054.db2.gz FRFVFLABWBOEMW-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001014779553 786751407 /nfs/dbraw/zinc/75/14/07/786751407.db2.gz MBLNLCKZIKIQSX-RDJZCZTQSA-N 0 3 313.445 2.377 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC001113734413 786787577 /nfs/dbraw/zinc/78/75/77/786787577.db2.gz JKSODHJKTYJRJP-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001015011408 786856717 /nfs/dbraw/zinc/85/67/17/786856717.db2.gz WATCMTWIXPMCTI-QZTJIDSGSA-N 0 3 312.413 2.018 20 30 DEEDHN Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC2CN(C)C2)n1 ZINC001170253241 786888735 /nfs/dbraw/zinc/88/87/35/786888735.db2.gz JILLHMDVNMMALH-XROMRFNBSA-N 0 3 322.478 2.245 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)CCCCNCc1cnns1 ZINC001170283148 786900662 /nfs/dbraw/zinc/90/06/62/786900662.db2.gz RZUWLLKIFCGJFP-AWEZNQCLSA-N 0 3 322.478 2.496 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCCNCc1cc(C2CC2)no1 ZINC001157727118 786932091 /nfs/dbraw/zinc/93/20/91/786932091.db2.gz DHZWLYLBFFBYQN-UHFFFAOYSA-N 0 3 303.406 2.197 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001015218196 786941941 /nfs/dbraw/zinc/94/19/41/786941941.db2.gz FERABARWMNXKOE-CYBMUJFWSA-N 0 3 312.369 2.269 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(OC)cc3)C[C@H]21 ZINC001114005233 787044096 /nfs/dbraw/zinc/04/40/96/787044096.db2.gz PHLXGLHDCJNQSX-VQFNDLOPSA-N 0 3 300.402 2.208 20 30 DEEDHN CCc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)c1 ZINC001114237321 787175898 /nfs/dbraw/zinc/17/58/98/787175898.db2.gz KMMRBWSZWJBQAB-RUYXUALKSA-N 0 3 310.441 2.455 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)OC1CCCCC1 ZINC001114280559 787197031 /nfs/dbraw/zinc/19/70/31/787197031.db2.gz KMXRPAPFCUYZJA-TWMKSMIVSA-N 0 3 306.450 2.347 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CCCCNCc1cnns1 ZINC001170453293 787224327 /nfs/dbraw/zinc/22/43/27/787224327.db2.gz KWKBKYHZLHELAF-ZDUSSCGKSA-N 0 3 308.451 2.106 20 30 DEEDHN CCc1cccc(C(=O)NCCNCc2ccc(C#N)cc2)n1 ZINC001129589113 787229144 /nfs/dbraw/zinc/22/91/44/787229144.db2.gz ZLINJGVWLZDJJL-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H](C)C(C)(C)C)cc1C#N ZINC001130289332 787334071 /nfs/dbraw/zinc/33/40/71/787334071.db2.gz NBQAPSMQJHRERK-ZDUSSCGKSA-N 0 3 317.433 2.455 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@@H](C)SC)C1 ZINC001130381207 787367901 /nfs/dbraw/zinc/36/79/01/787367901.db2.gz SLGKWTICAXYKIA-OLZOCXBDSA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCC(F)F)C1 ZINC001130405747 787378236 /nfs/dbraw/zinc/37/82/36/787378236.db2.gz NLTVDOHVUOXSTP-NSHDSACASA-N 0 3 312.364 2.047 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(C)CCC2)C1 ZINC001130415436 787383552 /nfs/dbraw/zinc/38/35/52/787383552.db2.gz GZSKFDRFJJDXNP-CYBMUJFWSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@H](C)C2CC2)C1 ZINC001130452918 787398805 /nfs/dbraw/zinc/39/88/05/787398805.db2.gz PLJMSHNQBJZSCT-DZGCQCFKSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001130452922 787399023 /nfs/dbraw/zinc/39/90/23/787399023.db2.gz PLJMSHNQBJZSCT-UKRRQHHQSA-N 0 3 316.449 2.437 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC001130521497 787418789 /nfs/dbraw/zinc/41/87/89/787418789.db2.gz QKOXDCOMOCBBHT-NUEKZKHPSA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(CCC)CC2)C[C@H]1c1cn(C)cn1 ZINC001130667145 787452179 /nfs/dbraw/zinc/45/21/79/787452179.db2.gz LOLRUWJCCWWOAY-GOEBONIOSA-N 0 3 316.449 2.070 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H](C)CC)n1 ZINC001130868931 787492505 /nfs/dbraw/zinc/49/25/05/787492505.db2.gz QWZURLOXVBYRRG-KKUMJFAQSA-N 0 3 320.437 2.143 20 30 DEEDHN CCOC(=O)C1=C(Nc2cccc3[nH]cc(CC#N)c32)CCNC1 ZINC001170520869 787497141 /nfs/dbraw/zinc/49/71/41/787497141.db2.gz MREGYPFVSZYVPN-UHFFFAOYSA-N 0 3 324.384 2.456 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@@H](C)F)nc1 ZINC001096379580 787643000 /nfs/dbraw/zinc/64/30/00/787643000.db2.gz SPSLSFPGGSEJDR-IRWJRLHMSA-N 0 3 315.392 2.146 20 30 DEEDHN C=CCCN1CC[C@@]2(C1)CN(C(=O)CCCC(C)=O)C[C@@H](C)O2 ZINC001131623789 787665252 /nfs/dbraw/zinc/66/52/52/787665252.db2.gz BDMMXKGYCRJVIM-SJLPKXTDSA-N 0 3 322.449 2.014 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCC(C)C)C[C@@H](C)O2 ZINC001131629449 787665828 /nfs/dbraw/zinc/66/58/28/787665828.db2.gz RUBVPZWFAQGPDD-AEFFLSMTSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C(\C)CC)C[C@H](C)O2 ZINC001131657670 787678886 /nfs/dbraw/zinc/67/88/86/787678886.db2.gz MCMZQVBMAKZCJH-SZPPPQKLSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C/C=C(\C)C=C)C[C@H](C)O2 ZINC001131678246 787688597 /nfs/dbraw/zinc/68/85/97/787688597.db2.gz WEZDFBHIUOJENP-FINBKCLGSA-N 0 3 316.445 2.224 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(CCF)CC2)cc1F ZINC001131719352 787694706 /nfs/dbraw/zinc/69/47/06/787694706.db2.gz XUXXLMCOYWXVIX-UHFFFAOYSA-N 0 3 307.344 2.043 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c3ncccc13)C2 ZINC001096626517 787767119 /nfs/dbraw/zinc/76/71/19/787767119.db2.gz XSNQLCIEFNDRLI-PVAVHDDUSA-N 0 3 324.428 2.403 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cncc(C)c2)CC[C@@H]1C ZINC001131930400 787800559 /nfs/dbraw/zinc/80/05/59/787800559.db2.gz FUQFVQHTCLNUOL-DOTOQJQBSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C\c2ccc[nH]2)CC[C@H]1C ZINC001131999551 787872614 /nfs/dbraw/zinc/87/26/14/787872614.db2.gz QSUQRNVMJDIXJD-KUBOQAQJSA-N 0 3 317.433 2.200 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001097036905 787953547 /nfs/dbraw/zinc/95/35/47/787953547.db2.gz HDJLZWPEBHRVHY-JOCQHMNTSA-N 0 3 318.396 2.097 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCc2cnn(C)c2)C1 ZINC001132255992 788001357 /nfs/dbraw/zinc/00/13/57/788001357.db2.gz IJGFDHQCWNFISU-DOTOQJQBSA-N 0 3 318.465 2.288 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCn2cc(C)cn2)CC[C@H]1C ZINC001132518400 788107422 /nfs/dbraw/zinc/10/74/22/788107422.db2.gz KRCDWSOMMZPKFV-HZPDHXFCSA-N 0 3 304.438 2.127 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n(CC)c1C)C2 ZINC001097467647 788108217 /nfs/dbraw/zinc/10/82/17/788108217.db2.gz YFNUIULDMWOGMC-NXHRZFHOSA-N 0 3 313.445 2.483 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001086687366 788116089 /nfs/dbraw/zinc/11/60/89/788116089.db2.gz OKPBZUQLYQCGGN-FGZQJIAISA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCNC(=O)CC(C)C)CC[C@@H]1C ZINC001132543061 788119618 /nfs/dbraw/zinc/11/96/18/788119618.db2.gz UTBVAGHDXRNOCY-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN CCC[C@H](OCC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132625329 788146044 /nfs/dbraw/zinc/14/60/44/788146044.db2.gz ZHSSGHFXYJZBRE-INIZCTEOSA-N 0 3 321.396 2.108 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001132662679 788158944 /nfs/dbraw/zinc/15/89/44/788158944.db2.gz ICLWBDWYCFYOBR-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC001132667907 788160683 /nfs/dbraw/zinc/16/06/83/788160683.db2.gz WGQRPRLKALLFGD-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001132698364 788172643 /nfs/dbraw/zinc/17/26/43/788172643.db2.gz XZAFIZIOVBGRGU-ZBFHGGJFSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2ocnc2C)C1 ZINC001132785403 788191487 /nfs/dbraw/zinc/19/14/87/788191487.db2.gz HKFKEAQFFZGSLU-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](C)[C@@H](CNCc2cscn2)C1 ZINC001132813985 788200361 /nfs/dbraw/zinc/20/03/61/788200361.db2.gz SYYOSMSUGANUEB-CABCVRRESA-N 0 3 319.474 2.377 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@H](CNCc2cnns2)C1 ZINC001132865070 788212899 /nfs/dbraw/zinc/21/28/99/788212899.db2.gz HMHOVHZOMLEVSL-UONOGXRCSA-N 0 3 322.478 2.469 20 30 DEEDHN Cc1cc(CNCCCC[C@H](C)NC(=O)C#CC2CC2)on1 ZINC001170665142 788310877 /nfs/dbraw/zinc/31/08/77/788310877.db2.gz KWPSGKBBCFTFGQ-ZDUSSCGKSA-N 0 3 303.406 2.161 20 30 DEEDHN C=CCCC1(C(=O)NCCN[C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC001133379111 788391980 /nfs/dbraw/zinc/39/19/80/788391980.db2.gz UKPGNGKCZAHMRV-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)NC(CC)CC)CCC1 ZINC001133398732 788398197 /nfs/dbraw/zinc/39/81/97/788398197.db2.gz LGTSXMBYGIQSAJ-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccnc(N(C)C)c2)CCC1 ZINC001133392001 788399110 /nfs/dbraw/zinc/39/91/10/788399110.db2.gz BXFYVEBITFEFEF-UHFFFAOYSA-N 0 3 316.449 2.100 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N(C(C)C)C(C)C)CCC1 ZINC001133391993 788399872 /nfs/dbraw/zinc/39/98/72/788399872.db2.gz BNPWZJBRMJOOOA-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)C(F)F)NCc1cc(F)ccc1C#N ZINC001133443944 788424697 /nfs/dbraw/zinc/42/46/97/788424697.db2.gz QMRFAZSJFCXULZ-ZJUUUORDSA-N 0 3 313.323 2.335 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNC[C@@H](O)c2cc(F)ccc2F)C1 ZINC001133571072 788494242 /nfs/dbraw/zinc/49/42/42/788494242.db2.gz FMKMGSVVDUDSGB-OAHLLOKOSA-N 0 3 324.371 2.060 20 30 DEEDHN CCCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133880794 788656487 /nfs/dbraw/zinc/65/64/87/788656487.db2.gz NADWODCIIBCKTM-CABCVRRESA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1conc1C ZINC001134014036 788720761 /nfs/dbraw/zinc/72/07/61/788720761.db2.gz MQVUCSLJVCXHAU-KGLIPLIRSA-N 0 3 323.437 2.339 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2C[C@H]2c2ccco2)s1 ZINC001134129793 788768479 /nfs/dbraw/zinc/76/84/79/788768479.db2.gz RPKWGUDWLAONKJ-ZIAGYGMSSA-N 0 3 315.398 2.222 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)ncn1 ZINC001134118866 788769996 /nfs/dbraw/zinc/76/99/96/788769996.db2.gz IMGULRQGOWKFSL-GDBMZVCRSA-N 0 3 316.449 2.352 20 30 DEEDHN CC(C)n1ccc(CN[C@H](C)C[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001134322052 788869734 /nfs/dbraw/zinc/86/97/34/788869734.db2.gz OKMAWZRFJFBBJR-CABCVRRESA-N 0 3 316.449 2.250 20 30 DEEDHN Cc1cnc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)s1 ZINC001134344525 788888577 /nfs/dbraw/zinc/88/85/77/788888577.db2.gz GHLCDXQIKOCORF-QWHCGFSZSA-N 0 3 307.463 2.484 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001134428565 788916102 /nfs/dbraw/zinc/91/61/02/788916102.db2.gz RXPOAXWXCHVTLK-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC001134428564 788916329 /nfs/dbraw/zinc/91/63/29/788916329.db2.gz RXPOAXWXCHVTLK-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)CCCCCC(C)C)C1=O ZINC001134782280 789081113 /nfs/dbraw/zinc/08/11/13/789081113.db2.gz DTRDGISFXWOGCR-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCc1ccsc1 ZINC001135065127 789184135 /nfs/dbraw/zinc/18/41/35/789184135.db2.gz VTSSJQJJLYHZPJ-GJZGRUSLSA-N 0 3 308.447 2.325 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnns1 ZINC001135193127 789229956 /nfs/dbraw/zinc/22/99/56/789229956.db2.gz FJZSIMLTPFUNKV-KGLIPLIRSA-N 0 3 322.478 2.495 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135189409 789230334 /nfs/dbraw/zinc/23/03/34/789230334.db2.gz ZFJYBFCRTWCTEB-HOTGVXAUSA-N 0 3 318.465 2.377 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)ncn1 ZINC001135224539 789248092 /nfs/dbraw/zinc/24/80/92/789248092.db2.gz FLHSAGAJRTZRBL-ZBFHGGJFSA-N 0 3 316.449 2.352 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)n(C)n1 ZINC001135236963 789254479 /nfs/dbraw/zinc/25/44/79/789254479.db2.gz ZQJJFYKDSYHFAB-STQMWFEESA-N 0 3 306.454 2.314 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccnc1C ZINC001135236499 789254496 /nfs/dbraw/zinc/25/44/96/789254496.db2.gz TYRNFJFCTXZMBH-OLZOCXBDSA-N 0 3 304.438 2.370 20 30 DEEDHN CCN(C)C(C)(C)C(=O)NC[C@H](C)Nc1cccc(F)c1C#N ZINC001098115709 789264741 /nfs/dbraw/zinc/26/47/41/789264741.db2.gz NKWLAFBSXXIQMQ-LBPRGKRZSA-N 0 3 320.412 2.344 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cncc(Cl)c2)s1 ZINC001135288266 789274999 /nfs/dbraw/zinc/27/49/99/789274999.db2.gz KNYSVHYKOUPGNS-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@H](C)CCCCCC)C1=O ZINC001135547501 789390198 /nfs/dbraw/zinc/39/01/98/789390198.db2.gz KRNPXXUSLMRSPN-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1ncccn1)NCc1ccccc1C#N ZINC001135730173 789469681 /nfs/dbraw/zinc/46/96/81/789469681.db2.gz NPOZAOONGPGQFK-KBPBESRZSA-N 0 3 323.400 2.035 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)c1ccsc1)C[C@H](C)O2 ZINC001071130210 789545551 /nfs/dbraw/zinc/54/55/51/789545551.db2.gz XXBKTKZTUWONRO-YOEHRIQHSA-N 0 3 318.442 2.077 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cc(C)co1)C[C@H](C)O2 ZINC001071198640 789587538 /nfs/dbraw/zinc/58/75/38/789587538.db2.gz 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ZINC001071610523 789813805 /nfs/dbraw/zinc/81/38/05/789813805.db2.gz UPIKWFFFNVCGAY-NEPJUHHUSA-N 0 3 322.359 2.020 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3ncn(C)c32)CC[C@@H]1C ZINC001071623332 789821505 /nfs/dbraw/zinc/82/15/05/789821505.db2.gz VIZNZSIPIMZFQV-GJZGRUSLSA-N 0 3 324.428 2.179 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3ccccn23)CC[C@H]1C ZINC001071623749 789822230 /nfs/dbraw/zinc/82/22/30/789822230.db2.gz BPVSZVMLIOTXTR-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@H]1C ZINC001071678910 789860254 /nfs/dbraw/zinc/86/02/54/789860254.db2.gz HSXMEYKXENSBLS-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cncc(C)c2)CC[C@@H]1C ZINC001071708581 789879464 /nfs/dbraw/zinc/87/94/64/789879464.db2.gz JEQJTAYXZOPCDB-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)CC[C@@H]1C ZINC001071715967 789883151 /nfs/dbraw/zinc/88/31/51/789883151.db2.gz NBUPSWUILRSPMQ-BBRMVZONSA-N 0 3 318.465 2.125 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c[nH]c3cnccc23)CC[C@@H]1C ZINC001071766430 789909543 /nfs/dbraw/zinc/90/95/43/789909543.db2.gz VTDOWIPRJDTICU-ZFWWWQNUSA-N 0 3 312.417 2.261 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)c1 ZINC001071813863 789927077 /nfs/dbraw/zinc/92/70/77/789927077.db2.gz FGDBDTLBKJWVGK-BBRMVZONSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@H]1C ZINC001071836829 789936425 /nfs/dbraw/zinc/93/64/25/789936425.db2.gz XOLWDWFYEQSVPB-KGLIPLIRSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@@H]1C ZINC001071836828 789936891 /nfs/dbraw/zinc/93/68/91/789936891.db2.gz XOLWDWFYEQSVPB-KBPBESRZSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)CCO3)CC[C@H]1C ZINC001071841576 789939569 /nfs/dbraw/zinc/93/95/69/789939569.db2.gz XVJQATPROYITQG-RHSMWYFYSA-N 0 3 312.413 2.228 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nn2CC)CC[C@H]1C ZINC001071844683 789939858 /nfs/dbraw/zinc/93/98/58/789939858.db2.gz 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790054226 /nfs/dbraw/zinc/05/42/26/790054226.db2.gz QMLINKKBDNLTRR-LSDHHAIUSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC[C@H]1C ZINC001072109208 790056091 /nfs/dbraw/zinc/05/60/91/790056091.db2.gz CRLBENTWKPFIJS-KHQOANHYSA-N 0 3 300.446 2.271 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)n(C)n2)CC[C@@H]1C ZINC001072119793 790060345 /nfs/dbraw/zinc/06/03/45/790060345.db2.gz JSMPFSXKNUGDFK-UONOGXRCSA-N 0 3 304.438 2.141 20 30 DEEDHN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNCc1cscn1 ZINC001072281650 790106023 /nfs/dbraw/zinc/10/60/23/790106023.db2.gz UKFXDUVLFZWCHD-HIFRSBDPSA-N 0 3 317.458 2.131 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)Oc3cccc(F)c3)C2)C1 ZINC001072771018 790243778 /nfs/dbraw/zinc/24/37/78/790243778.db2.gz IKCGPSMAITWGFO-AWEZNQCLSA-N 0 3 318.392 2.313 20 30 DEEDHN C[C@@H]1CN(C(=O)C(F)F)CC[C@H]1CNCc1ccccc1C#N ZINC001075184142 791502744 /nfs/dbraw/zinc/50/27/44/791502744.db2.gz XOVLSSSDOQETHI-OCCSQVGLSA-N 0 3 321.371 2.398 20 30 DEEDHN CC1(C(=O)NCCNCc2ccc(C#N)cc2)CC(F)(F)C1 ZINC001147483367 791560031 /nfs/dbraw/zinc/56/00/31/791560031.db2.gz PKPDTKGCZFULNS-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3n(c1)CCCC3)C2 ZINC001098533644 791650337 /nfs/dbraw/zinc/65/03/37/791650337.db2.gz TWVHSDIJBGBEGV-KURKYZTESA-N 0 3 311.429 2.183 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(CNCC(C)C)nn2)C1 ZINC001098698041 791680206 /nfs/dbraw/zinc/68/02/06/791680206.db2.gz OVAMDPCETLDHLH-OAHLLOKOSA-N 0 3 319.453 2.009 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)OCc3ccccc3)C2)C1 ZINC001148358165 791741169 /nfs/dbraw/zinc/74/11/69/791741169.db2.gz WPGONOGFTXJSDZ-MRXNPFEDSA-N 0 3 314.429 2.312 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cccc(Cl)c2)cn1 ZINC001148383198 791743045 /nfs/dbraw/zinc/74/30/45/791743045.db2.gz XJHXKFVJWWKWTN-UHFFFAOYSA-N 0 3 313.788 2.236 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCc3ccsc3)C[C@]2(C)C1 ZINC001091739298 791783606 /nfs/dbraw/zinc/78/36/06/791783606.db2.gz PEGZDILAPPSMLZ-AEFFLSMTSA-N 0 3 316.470 2.484 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ncoc3C)C2)CC1 ZINC001086908147 791845933 /nfs/dbraw/zinc/84/59/33/791845933.db2.gz QNVVOWWFSRHRSD-AWEZNQCLSA-N 0 3 315.417 2.323 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C3=COCCC3)C2)CC1 ZINC001086908912 791846899 /nfs/dbraw/zinc/84/68/99/791846899.db2.gz KRFGSDMNJYBODB-MRXNPFEDSA-N 0 3 316.445 2.407 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(Cl)no3)C2)CC1 ZINC001086953228 791863316 /nfs/dbraw/zinc/86/33/16/791863316.db2.gz AXYRLBIEQNEPEU-GFCCVEGCSA-N 0 3 321.808 2.278 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(C(C)C)n3)C[C@]2(C)C1 ZINC001091824869 791891709 /nfs/dbraw/zinc/89/17/09/791891709.db2.gz FBKNYTWYBASCNO-BEFAXECRSA-N 0 3 311.429 2.232 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3cc4ccccc4o3)C[C@]2(C)C1 ZINC001091899108 791904886 /nfs/dbraw/zinc/90/48/86/791904886.db2.gz ICIDXOYFEIOISV-UZLBHIALSA-N 0 3 322.408 2.389 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)C[C@]2(C)C1 ZINC001092004519 791915031 /nfs/dbraw/zinc/91/50/31/791915031.db2.gz QIHCWNHZFKIJNK-LZWOXQAQSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)C[C@]2(C)C1 ZINC001092037422 791919448 /nfs/dbraw/zinc/91/94/48/791919448.db2.gz MRABTQWRJNQBSM-KUHUBIRLSA-N 0 3 307.397 2.195 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C(C)C)no3)C[C@]2(C)C1 ZINC001092069427 791927953 /nfs/dbraw/zinc/92/79/53/791927953.db2.gz MOUKXHFLPYMWOP-KDOFPFPSSA-N 0 3 315.417 2.215 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3coc(CCC)n3)C[C@]2(C)C1 ZINC001092196486 791943024 /nfs/dbraw/zinc/94/30/24/791943024.db2.gz NEPKDFJRLWUXPG-KDOFPFPSSA-N 0 3 315.417 2.044 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(CC)c(CC)o3)C[C@]2(C)C1 ZINC001092203042 791945813 /nfs/dbraw/zinc/94/58/13/791945813.db2.gz ARCSVEROVRUIKL-BEFAXECRSA-N 0 3 314.429 2.432 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001098842881 791960212 /nfs/dbraw/zinc/96/02/12/791960212.db2.gz RTCPRUJLLRULIE-DFGXFYAUSA-N 0 3 304.434 2.124 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3c(C)nsc3C)C[C@]2(C)C1 ZINC001092307594 791973497 /nfs/dbraw/zinc/97/34/97/791973497.db2.gz UGDRHBNDWUZWEK-PBHICJAKSA-N 0 3 317.458 2.177 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ncc(F)cc2F)C1 ZINC001098903827 791979988 /nfs/dbraw/zinc/97/99/88/791979988.db2.gz HZOGZZIWZCKGPM-ZBEGNZNMSA-N 0 3 307.344 2.130 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2sc(C)nc2C)C1 ZINC001098950799 791997880 /nfs/dbraw/zinc/99/78/80/791997880.db2.gz LYNVXJDENHCMNF-YOEHRIQHSA-N 0 3 319.474 2.459 20 30 DEEDHN CC(C)OCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098981929 792014129 /nfs/dbraw/zinc/01/41/29/792014129.db2.gz HUQCSYNJRYLPDK-LSDHHAIUSA-N 0 3 309.454 2.178 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OCC)C1CC1 ZINC001099079770 792081324 /nfs/dbraw/zinc/08/13/24/792081324.db2.gz IYMIIQYJNOPMHH-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2conc2C2CCCC2)[C@H](C)C1 ZINC001092672037 792109400 /nfs/dbraw/zinc/10/94/00/792109400.db2.gz MEGJORXJCUFLJZ-UKRRQHHQSA-N 0 3 315.417 2.263 20 30 DEEDHN CCN(CC)CC(=O)NCC[C@@H](C)Nc1cccc(F)c1C#N ZINC001099197633 792134700 /nfs/dbraw/zinc/13/47/00/792134700.db2.gz USXWQOPBASSWIZ-CYBMUJFWSA-N 0 3 320.412 2.346 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1C(F)(F)F ZINC001099244174 792149744 /nfs/dbraw/zinc/14/97/44/792149744.db2.gz ZELQLFIRBDEFOI-AXTSPUMRSA-N 0 3 312.282 2.053 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1C(F)(F)F ZINC001099308119 792167063 /nfs/dbraw/zinc/16/70/63/792167063.db2.gz UQTVJNNHFRRGGE-OPRDCNLKSA-N 0 3 314.298 2.443 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C#CC(C)C)CC2(CCOCC2)C1 ZINC001099581234 792250440 /nfs/dbraw/zinc/25/04/40/792250440.db2.gz OJISAZQMXNGDGF-QGZVFWFLSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001093370190 792346030 /nfs/dbraw/zinc/34/60/30/792346030.db2.gz OZXGTWPACVODQS-CABCVRRESA-N 0 3 322.399 2.368 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001093370193 792346223 /nfs/dbraw/zinc/34/62/23/792346223.db2.gz OZXGTWPACVODQS-LSDHHAIUSA-N 0 3 322.399 2.368 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001093370191 792346884 /nfs/dbraw/zinc/34/68/84/792346884.db2.gz OZXGTWPACVODQS-GJZGRUSLSA-N 0 3 322.399 2.368 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099946988 792412980 /nfs/dbraw/zinc/41/29/80/792412980.db2.gz OSNQUHJJMSXMTH-IAGOWNOFSA-N 0 3 316.445 2.340 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001100104126 792474842 /nfs/dbraw/zinc/47/48/42/792474842.db2.gz WXGIXPYRBQFJEW-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)CCCCC)[C@H](O)C1 ZINC001100119178 792477983 /nfs/dbraw/zinc/47/79/83/792477983.db2.gz FUZDAEMHFJCTOU-JKSUJKDBSA-N 0 3 308.466 2.168 20 30 DEEDHN CC(C)c1cccc(CNC2CC(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001100191221 792508284 /nfs/dbraw/zinc/50/82/84/792508284.db2.gz CZNDKSKGCSARJW-VQCLRJIVSA-N 0 3 314.433 2.349 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)COCC2CCCC2)C1 ZINC001100416458 792636541 /nfs/dbraw/zinc/63/65/41/792636541.db2.gz WSLKDTQTAKHBCQ-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100597227 792742674 /nfs/dbraw/zinc/74/26/74/792742674.db2.gz QMMAEOFOENMIMA-FHERZECASA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@H](NC(=O)CC)c1nccn12 ZINC001101599859 793262746 /nfs/dbraw/zinc/26/27/46/793262746.db2.gz YTCZVFDJHDDBOA-KBPBESRZSA-N 0 3 302.422 2.220 20 30 DEEDHN N=C(N[C@H]1CCN(C2CC2)C(=O)C1)c1ccc2ccccc2n1 ZINC001172009718 793280082 /nfs/dbraw/zinc/28/00/82/793280082.db2.gz QXDRHRDKZCECPB-ZDUSSCGKSA-N 0 3 308.385 2.094 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H]1c2ccccc2CNC1=O ZINC001172301359 793393871 /nfs/dbraw/zinc/39/38/71/793393871.db2.gz NEPFJAUNOSWBIG-UGSOOPFHSA-N 0 3 305.381 2.450 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C(C)=C2CCCC2)[C@H](C)C1 ZINC001101868822 793421071 /nfs/dbraw/zinc/42/10/71/793421071.db2.gz OSVQONGNHHCOOE-CRAIPNDOSA-N 0 3 318.461 2.211 20 30 DEEDHN COC(=O)N1CCC(NC(=N)c2ccc3ccccc3n2)CC1 ZINC001172733265 793484492 /nfs/dbraw/zinc/48/44/92/793484492.db2.gz GYLUUJROMOKDDW-UHFFFAOYSA-N 0 3 312.373 2.171 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCCC[C@H]2CO)C[C@H]1C#N ZINC001172977615 793548641 /nfs/dbraw/zinc/54/86/41/793548641.db2.gz DJGVBCHBBLOIQL-KKUMJFAQSA-N 0 3 323.437 2.125 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)OC)C1 ZINC001102757133 793742142 /nfs/dbraw/zinc/74/21/42/793742142.db2.gz XLLUWKPEKIZHPY-BNOWGMLFSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001150334423 793923711 /nfs/dbraw/zinc/92/37/11/793923711.db2.gz WJKIVQHSJFSRCB-STQMWFEESA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150372254 793979693 /nfs/dbraw/zinc/97/96/93/793979693.db2.gz PQQXRGFUSJOJRC-AWEZNQCLSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2[nH]c(C)nc2C)C1 ZINC001103445725 794095112 /nfs/dbraw/zinc/09/51/12/794095112.db2.gz DHUZIQORTQZXAE-QMTHXVAHSA-N 0 3 324.856 2.467 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001103677237 794187985 /nfs/dbraw/zinc/18/79/85/794187985.db2.gz RKZFVELMIJPGJX-BXUZGUMPSA-N 0 3 324.856 2.087 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cn2c(cccc2C)n1 ZINC001175681516 794266826 /nfs/dbraw/zinc/26/68/26/794266826.db2.gz ZIVSZYSETUGRNF-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001176813704 794504196 /nfs/dbraw/zinc/50/41/96/794504196.db2.gz AIMBNPDUHKBBDM-UONOGXRCSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C(F)(F)F ZINC001112098114 794559528 /nfs/dbraw/zinc/55/95/28/794559528.db2.gz UVNHGUNLJKOYOG-ZIAGYGMSSA-N 0 3 314.351 2.489 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1C(F)(F)F ZINC001112134715 794563245 /nfs/dbraw/zinc/56/32/45/794563245.db2.gz GIINRNBPMBTURR-RGCMKSIDSA-N 0 3 314.351 2.179 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC1CCOCC1 ZINC001115060732 794667608 /nfs/dbraw/zinc/66/76/08/794667608.db2.gz HKXNZUNOIDNASE-ZSHCYNCHSA-N 0 3 306.450 2.062 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COCCc1ccccc1 ZINC001177431705 794676815 /nfs/dbraw/zinc/67/68/15/794676815.db2.gz LFBANFWOWMQSPS-UHFFFAOYSA-N 0 3 310.825 2.094 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)Oc1ccccc1F ZINC001115121246 794683620 /nfs/dbraw/zinc/68/36/20/794683620.db2.gz NOKMZWNNXKQLMU-CXUGXGMPSA-N 0 3 318.392 2.216 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2cnnn2CC)CCCC1 ZINC001177553094 794690803 /nfs/dbraw/zinc/69/08/03/794690803.db2.gz XJIMUQFXRDVXKF-UHFFFAOYSA-N 0 3 319.453 2.030 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)n1c(N)nc(=O)c2ccccc21 ZINC001177916490 794775272 /nfs/dbraw/zinc/77/52/72/794775272.db2.gz HYKSUMPPQXEPEL-JTQLQIEISA-N 0 3 324.365 2.306 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](CC)CCCC)[C@H]1C ZINC001178160957 794846010 /nfs/dbraw/zinc/84/60/10/794846010.db2.gz UNJXOMCRVJDDGV-XHSDSOJGSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)COC)C12CCC2 ZINC001203186710 794887598 /nfs/dbraw/zinc/88/75/98/794887598.db2.gz XGRVUYBAXZWQLP-QWHCGFSZSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178339068 794891317 /nfs/dbraw/zinc/89/13/17/794891317.db2.gz SFTHXSKLZGKWCU-QWRGUYRKSA-N 0 3 307.221 2.087 20 30 DEEDHN CCn1ccnc1CNCCCCCCNC(=O)C#CC(C)C ZINC001178423747 794924107 /nfs/dbraw/zinc/92/41/07/794924107.db2.gz VEXRDIXGJPYCEO-UHFFFAOYSA-N 0 3 318.465 2.329 20 30 DEEDHN CCc1nn(C)c(CC)c1CNCCNc1ncccc1C#N ZINC001116384425 794954996 /nfs/dbraw/zinc/95/49/96/794954996.db2.gz XTOJOOCDLXVQJN-UHFFFAOYSA-N 0 3 312.421 2.013 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC001116575708 794971037 /nfs/dbraw/zinc/97/10/37/794971037.db2.gz GNYYDDCLHUYHEO-AWEZNQCLSA-N 0 3 302.353 2.183 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H](C)CCCC)[C@H]1C ZINC001178725940 794974252 /nfs/dbraw/zinc/97/42/52/794974252.db2.gz SUCKOCBUHVZFHP-UGUYLWEFSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179306917 795089827 /nfs/dbraw/zinc/08/98/27/795089827.db2.gz NABGEUVDZUBVML-CABCVRRESA-N 0 3 321.469 2.040 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCC(=O)N(C)C(C)C)[C@@H]1C ZINC001179384109 795110189 /nfs/dbraw/zinc/11/01/89/795110189.db2.gz CQZHPLGQJUUNCZ-JYJNAYRXSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCCC(=O)NCCCCCCN[C@H](C)c1nncn1C ZINC001179426014 795116786 /nfs/dbraw/zinc/11/67/86/795116786.db2.gz MVSUVCREVVPXIJ-OAHLLOKOSA-N 0 3 321.469 2.499 20 30 DEEDHN Cc1conc1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179861106 795194555 /nfs/dbraw/zinc/19/45/55/795194555.db2.gz LOBCTDINIAHEDD-RDJZCZTQSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccc(C)nc2)CC1 ZINC001150948411 795332839 /nfs/dbraw/zinc/33/28/39/795332839.db2.gz GLLDEWVXYYJTBC-UHFFFAOYSA-N 0 3 317.433 2.177 20 30 DEEDHN Cc1cnc(CNC[C@]2(C)CN(C(=O)[C@H](C)C#N)C[C@H]2C)s1 ZINC001180914493 795388520 /nfs/dbraw/zinc/38/85/20/795388520.db2.gz SKIHFFWFTXKQQY-XHBSWPGZSA-N 0 3 320.462 2.185 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2ncccc2C)C1 ZINC001181890663 795557058 /nfs/dbraw/zinc/55/70/58/795557058.db2.gz OCRRRKNJRPJTAF-MRXNPFEDSA-N 0 3 317.433 2.063 20 30 DEEDHN CCN1CCCC[C@@H]1C(=O)NCCCOc1ccccc1C#N ZINC001182000509 795579999 /nfs/dbraw/zinc/57/99/99/795579999.db2.gz MGIQDDBCKUFDRN-MRXNPFEDSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC001121862588 795697339 /nfs/dbraw/zinc/69/73/39/795697339.db2.gz KNHXNCAVCXBREY-JYJNAYRXSA-N 0 3 323.481 2.213 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC001121881944 795698705 /nfs/dbraw/zinc/69/87/05/795698705.db2.gz UCNMDLKIAMPGAG-IRXDYDNUSA-N 0 3 320.433 2.307 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC001121988427 795712984 /nfs/dbraw/zinc/71/29/84/795712984.db2.gz KYAXGUODYJLAOM-HNNXBMFYSA-N 0 3 316.380 2.311 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCCc1nc2ccccc2n1C ZINC001122003711 795714519 /nfs/dbraw/zinc/71/45/19/795714519.db2.gz WUPPTNNQTVATJA-CQSZACIVSA-N 0 3 314.433 2.306 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001122187813 795733878 /nfs/dbraw/zinc/73/38/78/795733878.db2.gz LGIDQDAIASVAAN-HNNXBMFYSA-N 0 3 303.381 2.385 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001182894504 795776386 /nfs/dbraw/zinc/77/63/86/795776386.db2.gz ZAWZAVQJVVDSGF-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN N#C[C@@H]1CC[C@H](OC(=O)C2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001122639886 795788903 /nfs/dbraw/zinc/78/89/03/795788903.db2.gz PGNJBRLQACUVRF-UGFHNGPFSA-N 0 3 316.332 2.414 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2CC23CCC3)CC1 ZINC001151340269 795882391 /nfs/dbraw/zinc/88/23/91/795882391.db2.gz QHGQJNIDVHCRLZ-OAHLLOKOSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2cnc(C)o2)[C@@H](C)C1 ZINC001184312659 796031764 /nfs/dbraw/zinc/03/17/64/796031764.db2.gz SOGJPXXUJRJMLG-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC001184279663 796034380 /nfs/dbraw/zinc/03/43/80/796034380.db2.gz BRRKVEOMFCDZGO-MRXNPFEDSA-N 0 3 320.820 2.102 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](CNCc2nccs2)[C@@H](C)C1 ZINC001184358528 796038830 /nfs/dbraw/zinc/03/88/30/796038830.db2.gz XLIABFUXQTUBRQ-GJZGRUSLSA-N 0 3 319.474 2.377 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)OCc2ccccc2C)C1 ZINC001184668168 796102762 /nfs/dbraw/zinc/10/27/62/796102762.db2.gz GEMNPAXMVSTTLA-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001184815288 796132309 /nfs/dbraw/zinc/13/23/09/796132309.db2.gz QMBZFPDBCKDILP-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001185051124 796170059 /nfs/dbraw/zinc/17/00/59/796170059.db2.gz YQXPVILTGKHRGG-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCOc1ccc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1OC ZINC001138348140 796203023 /nfs/dbraw/zinc/20/30/23/796203023.db2.gz GAZIKIZIAPJDGF-DDUZABMNSA-N 0 3 301.386 2.174 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](CC(=O)OC)C2)cc1 ZINC001138560448 796235147 /nfs/dbraw/zinc/23/51/47/796235147.db2.gz VETIKNYEMIGEPU-MRXNPFEDSA-N 0 3 301.386 2.474 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202845585 796241189 /nfs/dbraw/zinc/24/11/89/796241189.db2.gz DJZAGDODUYDQQU-GJZGRUSLSA-N 0 3 317.458 2.464 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H](NCc2cnoc2C)C12CCC2 ZINC001202847942 796244514 /nfs/dbraw/zinc/24/45/14/796244514.db2.gz XZMXVHRGKKLWDK-JKSUJKDBSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1[O-] ZINC001138631334 796246748 /nfs/dbraw/zinc/24/67/48/796246748.db2.gz PTCBOXYLUWVJJX-MRXNPFEDSA-N 0 3 317.433 2.356 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1[O-] ZINC001138631334 796246751 /nfs/dbraw/zinc/24/67/51/796246751.db2.gz PTCBOXYLUWVJJX-MRXNPFEDSA-N 0 3 317.433 2.356 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NCc3cnc(C)nc3)C2)CCC1 ZINC001185468883 796265056 /nfs/dbraw/zinc/26/50/56/796265056.db2.gz OBLGZXPNCRHQLA-MRXNPFEDSA-N 0 3 314.433 2.222 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC2(O)CCC2)C12CCC2 ZINC001202899701 796332259 /nfs/dbraw/zinc/33/22/59/796332259.db2.gz PQHYDWMBBGYYKN-OLZOCXBDSA-N 0 3 312.841 2.061 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cccc(N(C)C)c1 ZINC001186073068 796352414 /nfs/dbraw/zinc/35/24/14/796352414.db2.gz HYJRLPTWOLGUBX-KRWDZBQOSA-N 0 3 301.434 2.062 20 30 DEEDHN C=CCn1cc(CN2CC[C@H]3OCCC[C@]3(COC)C2)cn1 ZINC001139769694 796424199 /nfs/dbraw/zinc/42/41/99/796424199.db2.gz NSRPJISNPFJREG-IAGOWNOFSA-N 0 3 305.422 2.087 20 30 DEEDHN C=CCn1cc(CN2CCC3(CCOC[C@H]3COC)CC2)cn1 ZINC001139771486 796425181 /nfs/dbraw/zinc/42/51/81/796425181.db2.gz FHAXPPWNWJBMTL-QGZVFWFLSA-N 0 3 319.449 2.334 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccnnc1)[C@@H]2CC ZINC001139982437 796457757 /nfs/dbraw/zinc/45/77/57/796457757.db2.gz NYZQDCBHCAEKOV-AEFFLSMTSA-N 0 3 314.433 2.398 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001187591619 796551023 /nfs/dbraw/zinc/55/10/23/796551023.db2.gz SUYWXDWSNGIVNF-FUHWJXTLSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001187728595 796569038 /nfs/dbraw/zinc/56/90/38/796569038.db2.gz NEYJRATXJBOTPU-LJQANCHMSA-N 0 3 310.441 2.322 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cnc3cc[nH]cc2-3)C1 ZINC001140806798 796577576 /nfs/dbraw/zinc/57/75/76/796577576.db2.gz SEPZVZLASFUVIO-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2c[nH]c3ccncc23)C1 ZINC001140806798 796577579 /nfs/dbraw/zinc/57/75/79/796577579.db2.gz SEPZVZLASFUVIO-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN CCCCOCCN1C[C@@H]2CCN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001187827894 796592721 /nfs/dbraw/zinc/59/27/21/796592721.db2.gz NIZZNPBETDVALE-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOC(=O)N1CCCC2(CCN(Cc3cn[nH]c3)CC2)C1 ZINC001203085771 796615758 /nfs/dbraw/zinc/61/57/58/796615758.db2.gz CQUZNTQPMUBNFC-UHFFFAOYSA-N 0 3 318.421 2.410 20 30 DEEDHN CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188016334 796617564 /nfs/dbraw/zinc/61/75/64/796617564.db2.gz ZRCLWABOWWOOKW-HUUCEWRRSA-N 0 3 311.470 2.049 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOc2ccccc2F)C1 ZINC001188073547 796622776 /nfs/dbraw/zinc/62/27/76/796622776.db2.gz YXSRDRKNHZSPOE-OAHLLOKOSA-N 0 3 318.392 2.199 20 30 DEEDHN CSCCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001188793348 796716168 /nfs/dbraw/zinc/71/61/68/796716168.db2.gz QSKOHILOASYDGO-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001189007331 796755146 /nfs/dbraw/zinc/75/51/46/796755146.db2.gz SAQVXEYDAIEWJH-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)C[C@H](O)c2ccc(F)cc2)C1 ZINC001189319187 796807511 /nfs/dbraw/zinc/80/75/11/796807511.db2.gz UZAJSFYENORSAL-SJORKVTESA-N 0 3 320.408 2.358 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](N(C)C[C@H]2CCCCO2)C1 ZINC001189575694 796852148 /nfs/dbraw/zinc/85/21/48/796852148.db2.gz XESKJQZWNBDUTI-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001189645794 796856053 /nfs/dbraw/zinc/85/60/53/796856053.db2.gz BBQUHVAWEHRXPJ-GVDBMIGSSA-N 0 3 318.461 2.302 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)CCOCC2CC2)C1 ZINC001189752389 796877188 /nfs/dbraw/zinc/87/71/88/796877188.db2.gz QHJWLGPPRNIIGP-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001189916821 796902463 /nfs/dbraw/zinc/90/24/63/796902463.db2.gz AKAUDZXINNFUTR-NVXWUHKLSA-N 0 3 322.474 2.416 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CC2CC(F)(F)C2)C1 ZINC001149914301 796905289 /nfs/dbraw/zinc/90/52/89/796905289.db2.gz ZSYXSCUIMMYSII-CQSZACIVSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001150416296 796941810 /nfs/dbraw/zinc/94/18/10/796941810.db2.gz AXPXUQLBYNEDEF-JKSUJKDBSA-N 0 3 320.433 2.475 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001190194484 796961362 /nfs/dbraw/zinc/96/13/62/796961362.db2.gz SGZNLHINPQTFMR-ZWKOTPCHSA-N 0 3 318.461 2.468 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCc2ccc(C)o2)C1 ZINC001150772765 796977614 /nfs/dbraw/zinc/97/76/14/796977614.db2.gz UZLQGQCBUMZEGP-QGZVFWFLSA-N 0 3 320.433 2.304 20 30 DEEDHN COCCC1(NC(=O)C#CC2CC2)CCN(CC=C(C)C)CC1 ZINC001151121343 797012451 /nfs/dbraw/zinc/01/24/51/797012451.db2.gz MNMDKWWFDOUBJV-UHFFFAOYSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001151266623 797028310 /nfs/dbraw/zinc/02/83/10/797028310.db2.gz JUYLSARSWITQQF-CABCVRRESA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC001190667434 797043741 /nfs/dbraw/zinc/04/37/41/797043741.db2.gz UXAHULWGMHYEQG-CQSZACIVSA-N 0 3 324.371 2.314 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COC/C=C\c2ccccc2)C1 ZINC001190899726 797094736 /nfs/dbraw/zinc/09/47/36/797094736.db2.gz MMNQYYAPFMLQSS-VOCYLRNQSA-N 0 3 314.429 2.435 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)NCCC)CCCCC1 ZINC001151997769 797130109 /nfs/dbraw/zinc/13/01/09/797130109.db2.gz KRDUOUHRNHUSLM-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001152371021 797178709 /nfs/dbraw/zinc/17/87/09/797178709.db2.gz ZGARNTQIMBGVAJ-CQSZACIVSA-N 0 3 308.397 2.355 20 30 DEEDHN COCC#CCNCCNC(=O)CCCCc1ccc(C)cc1 ZINC001153191101 797297748 /nfs/dbraw/zinc/29/77/48/797297748.db2.gz OFVQZWNUAKOKBA-UHFFFAOYSA-N 0 3 316.445 2.063 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1csc([C@H](C)OC)n1 ZINC001153362807 797329420 /nfs/dbraw/zinc/32/94/20/797329420.db2.gz YMUDPNNTEFELCP-OLZOCXBDSA-N 0 3 323.462 2.314 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1nsc2ccccc21 ZINC001153561793 797354362 /nfs/dbraw/zinc/35/43/62/797354362.db2.gz ULLWYMZNAZBEMO-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 ZINC001192420881 797379074 /nfs/dbraw/zinc/37/90/74/797379074.db2.gz ZPNNESIDWUBVMR-HZPDHXFCSA-N 0 3 306.406 2.109 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccc(F)cc1F ZINC001153704453 797379412 /nfs/dbraw/zinc/37/94/12/797379412.db2.gz FUMBLAYYHWYSQJ-CYBMUJFWSA-N 0 3 324.371 2.194 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCC(F)(F)F)C1 ZINC001192514286 797399739 /nfs/dbraw/zinc/39/97/39/797399739.db2.gz XDPIINMCHRMREY-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnc(-n2cccc2)c1 ZINC001153930538 797425726 /nfs/dbraw/zinc/42/57/26/797425726.db2.gz OTFQYXAROGBYPR-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CN(CCC2CCCCCC2)C[C@H]1O ZINC001192761877 797441640 /nfs/dbraw/zinc/44/16/40/797441640.db2.gz PMKSXZKIILHQRP-QZTJIDSGSA-N 0 3 320.477 2.168 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccncc1 ZINC001154008617 797442209 /nfs/dbraw/zinc/44/22/09/797442209.db2.gz BHVQPEPJKVQNAZ-HZPDHXFCSA-N 0 3 301.434 2.425 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn2cc(C)ccc2n1 ZINC001154021051 797444935 /nfs/dbraw/zinc/44/49/35/797444935.db2.gz XRRHRHHCEYWWLY-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001154029130 797447057 /nfs/dbraw/zinc/44/70/57/797447057.db2.gz AUPGUSAVPGOBLE-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn2ccc(C)cc2n1 ZINC001154201551 797484319 /nfs/dbraw/zinc/48/43/19/797484319.db2.gz LWWUCOHZTHLWKR-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001154225638 797490369 /nfs/dbraw/zinc/49/03/69/797490369.db2.gz WEKRFEVKKFZKHD-MLGOLLRUSA-N 0 3 320.820 2.103 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)CCOC2 ZINC001154275519 797501175 /nfs/dbraw/zinc/50/11/75/797501175.db2.gz ORPLIQROYASKJJ-OAHLLOKOSA-N 0 3 314.429 2.223 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1[nH]nc2cc(F)ccc21 ZINC001154353115 797520797 /nfs/dbraw/zinc/52/07/97/797520797.db2.gz MGWVUJSWCCAJCO-LBPRGKRZSA-N 0 3 302.353 2.082 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1 ZINC001193312391 797542581 /nfs/dbraw/zinc/54/25/81/797542581.db2.gz ZJBKPOYECCIAJD-INIZCTEOSA-N 0 3 318.417 2.044 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001154488367 797545016 /nfs/dbraw/zinc/54/50/16/797545016.db2.gz FEVWALNXEXZYFD-SJORKVTESA-N 0 3 316.445 2.360 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)c1cnco1 ZINC001154509516 797547773 /nfs/dbraw/zinc/54/77/73/797547773.db2.gz DTERXWFKDDTCEC-CYBMUJFWSA-N 0 3 312.373 2.187 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2ccccc2nn1 ZINC001154540530 797557463 /nfs/dbraw/zinc/55/74/63/797557463.db2.gz OIFZEDQVZRBYNB-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2ncccc2s1 ZINC001154580312 797566696 /nfs/dbraw/zinc/56/66/96/797566696.db2.gz SWOZSDWPRZNKRI-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001193578348 797587587 /nfs/dbraw/zinc/58/75/87/797587587.db2.gz FBWJNRQTEGPOJY-AWEZNQCLSA-N 0 3 323.824 2.084 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccccc2OC)C1 ZINC001193631213 797596463 /nfs/dbraw/zinc/59/64/63/797596463.db2.gz UYKCEYKAPHPEDU-HNNXBMFYSA-N 0 3 318.417 2.044 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncccc1OCCC ZINC001155024282 797662641 /nfs/dbraw/zinc/66/26/41/797662641.db2.gz WGPAKHSDZHEASY-OAHLLOKOSA-N 0 3 317.433 2.334 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001194127744 797679121 /nfs/dbraw/zinc/67/91/21/797679121.db2.gz SOIRBENDWCKEON-HZPDHXFCSA-N 0 3 321.465 2.377 20 30 DEEDHN COCCCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155511876 797776599 /nfs/dbraw/zinc/77/65/99/797776599.db2.gz ZBZWHWATXCRUAA-UHFFFAOYSA-N 0 3 321.396 2.110 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001155688370 797826797 /nfs/dbraw/zinc/82/67/97/797826797.db2.gz PMGGOWHSDMJWLF-OLZOCXBDSA-N 0 3 321.446 2.068 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001195173945 797850515 /nfs/dbraw/zinc/85/05/15/797850515.db2.gz HDKVDCHUBSIUIU-LSDHHAIUSA-N 0 3 300.418 2.250 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001155844882 797863902 /nfs/dbraw/zinc/86/39/02/797863902.db2.gz BVJYHYDDOBPDTC-ZIAGYGMSSA-N 0 3 300.402 2.083 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCNCc1ccccc1Br ZINC001155854790 797867061 /nfs/dbraw/zinc/86/70/61/797867061.db2.gz OLNJFGJLKSHKFZ-LLVKDONJSA-N 0 3 324.222 2.205 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)CCC2CC2)c1 ZINC001155957503 797889705 /nfs/dbraw/zinc/88/97/05/797889705.db2.gz GRJLKHHANIYBAK-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001195548653 797922921 /nfs/dbraw/zinc/92/29/21/797922921.db2.gz FGIHRSGAJCYHTK-IAGOWNOFSA-N 0 3 319.449 2.119 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cccnc2s1 ZINC001156188988 797943048 /nfs/dbraw/zinc/94/30/48/797943048.db2.gz ZWONTPVMQMOGNT-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cnn(CC)n2)CC1 ZINC001195716332 797947036 /nfs/dbraw/zinc/94/70/36/797947036.db2.gz ANZFSRKUIVIKIT-UHFFFAOYSA-N 0 3 319.453 2.192 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCN(CC/C=C/CCC)CC1 ZINC001195792097 797962807 /nfs/dbraw/zinc/96/28/07/797962807.db2.gz OHFUPRMNWKLFDI-OZSKJFCKSA-N 0 3 306.450 2.305 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN(CCCOC)CC1 ZINC001195958313 797989824 /nfs/dbraw/zinc/98/98/24/797989824.db2.gz UFSCJXCZOWQFLS-UHFFFAOYSA-N 0 3 302.846 2.336 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCCC2CCOCC2)CC1 ZINC001196085111 798005108 /nfs/dbraw/zinc/00/51/08/798005108.db2.gz CSVLUCRSFYUNMR-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@](C)(OC)c1ccccc1 ZINC001156466517 798006515 /nfs/dbraw/zinc/00/65/15/798006515.db2.gz PZIVCSQWGAJEQT-CRAIPNDOSA-N 0 3 302.418 2.008 20 30 DEEDHN C=C(Cl)CN1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001196349807 798042405 /nfs/dbraw/zinc/04/24/05/798042405.db2.gz NRZHXFAUDIBXJI-UHFFFAOYSA-N 0 3 301.862 2.004 20 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323.437 2.390 20 30 DEEDHN Cc1ccccc1CN1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206090400 800471755 /nfs/dbraw/zinc/47/17/55/800471755.db2.gz SJXWFNZOSOHWDM-GDBMZVCRSA-N 0 3 317.458 2.188 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCCC(C)C)C1 ZINC001207627621 800794081 /nfs/dbraw/zinc/79/40/81/800794081.db2.gz BEYSPDRDQVURAX-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001207629126 800794230 /nfs/dbraw/zinc/79/42/30/800794230.db2.gz OASQRDNOOTYSNJ-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN Cc1ncoc1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207745729 800822611 /nfs/dbraw/zinc/82/26/11/800822611.db2.gz WCADEYRVXXRKLP-KRWDZBQOSA-N 0 3 323.396 2.229 20 30 DEEDHN Cn1ccc(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)c1 ZINC001207796987 800836637 /nfs/dbraw/zinc/83/66/37/800836637.db2.gz ZBRFIUFEGXEWCQ-LJQANCHMSA-N 0 3 321.424 2.271 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2cccc(OC)c2)C1 ZINC001207978799 800882576 /nfs/dbraw/zinc/88/25/76/800882576.db2.gz CWMSSXAOZZPKEC-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN Cc1ncsc1CN[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001207996062 800886258 /nfs/dbraw/zinc/88/62/58/800886258.db2.gz YGNJXHZBOCLZJU-AWEZNQCLSA-N 0 3 305.447 2.192 20 30 DEEDHN C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](NC(=O)CN(C)C)C2)CC1 ZINC001208178420 800924456 /nfs/dbraw/zinc/92/44/56/800924456.db2.gz DKLDFRNNAPIIOI-QZTJIDSGSA-N 0 3 319.493 2.431 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCC(C)C)C1 ZINC001208261565 800943761 /nfs/dbraw/zinc/94/37/61/800943761.db2.gz PFUDZWMXKBWNEK-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001208570860 801014261 /nfs/dbraw/zinc/01/42/61/801014261.db2.gz AGZPPWFEQAHSLA-IIAWOOMASA-N 0 3 322.474 2.491 20 30 DEEDHN CCOC(=O)C1(C#N)CCN(C[C@H](CC)CCC(=O)OC)CC1 ZINC001208784953 801067751 /nfs/dbraw/zinc/06/77/51/801067751.db2.gz BROLEFUXNJWKIF-CQSZACIVSA-N 0 3 324.421 2.135 20 30 DEEDHN N#Cc1ccc(CCCN2CCOC3(CCOCC3)C2)cc1 ZINC001208863170 801081552 /nfs/dbraw/zinc/08/15/52/801081552.db2.gz ZNFHVTKLEPGJPE-UHFFFAOYSA-N 0 3 300.402 2.372 20 30 DEEDHN Cc1cncnc1O[C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC001208928414 801095456 /nfs/dbraw/zinc/09/54/56/801095456.db2.gz HMMAIUSDAIZVIB-KRWDZBQOSA-N 0 3 308.385 2.353 20 30 DEEDHN C[C@H]1NC=C2C(=O)OCCC2=C1CN(C)Cc1cccc(C#N)c1 ZINC001209337741 801172491 /nfs/dbraw/zinc/17/24/91/801172491.db2.gz LATAVEKWVXGRQR-CYBMUJFWSA-N 0 3 323.396 2.109 20 30 DEEDHN CCOC(=O)C1(C#N)CCN(C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001209398272 801182913 /nfs/dbraw/zinc/18/29/13/801182913.db2.gz NBAYTKZDDPEEDH-QDMKHBRRSA-N 0 3 308.422 2.359 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCC(=O)N(CC)CC)C1 ZINC001209454250 801193947 /nfs/dbraw/zinc/19/39/47/801193947.db2.gz KRJNJMZYWPHEKQ-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC1(C(=O)N2CCC[C@H](NCc3ccnn3C)C2)CC1 ZINC001209465324 801195386 /nfs/dbraw/zinc/19/53/86/801195386.db2.gz PURBZEFAWFTIDH-HNNXBMFYSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001209467599 801196885 /nfs/dbraw/zinc/19/68/85/801196885.db2.gz VTUVVUYBSYDGCH-IUODEOHRSA-N 0 3 308.447 2.309 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccnc(OC)c3)C2)C1=O ZINC001209636780 801240392 /nfs/dbraw/zinc/24/03/92/801240392.db2.gz QUPNADRMFPRYHE-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN N/N=C/c1ccccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001229294159 801252098 /nfs/dbraw/zinc/25/20/98/801252098.db2.gz FKXRKJSVVFGJQM-VUJIGMQQSA-N 0 3 303.406 2.001 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cccc2)C1 ZINC001210440099 801402995 /nfs/dbraw/zinc/40/29/95/801402995.db2.gz OFBHCDVZNVTQFK-IXDOHACOSA-N 0 3 319.449 2.078 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 ZINC001230715159 801473692 /nfs/dbraw/zinc/47/36/92/801473692.db2.gz RRZUDFAAISDNAH-INIZCTEOSA-N 0 3 304.438 2.313 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001210877640 801477290 /nfs/dbraw/zinc/47/72/90/801477290.db2.gz NFSLLURZYWGQNC-IUODEOHRSA-N 0 3 308.809 2.341 20 30 DEEDHN C#CCCN(CCCNC(=O)C[C@@H]1C[C@H]1C)Cc1cccnc1 ZINC001230839043 801507097 /nfs/dbraw/zinc/50/70/97/801507097.db2.gz YRXAHIAMNFXRIJ-AEFFLSMTSA-N 0 3 313.445 2.459 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001231240547 801615096 /nfs/dbraw/zinc/61/50/96/801615096.db2.gz LYSOPPIOYSZOLO-ZIAGYGMSSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001231350297 801641951 /nfs/dbraw/zinc/64/19/51/801641951.db2.gz QYLZRKMCYVOQGM-OAHLLOKOSA-N 0 3 319.453 2.016 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001231360598 801646935 /nfs/dbraw/zinc/64/69/35/801646935.db2.gz YEXBIEMCIVQTTG-HNNXBMFYSA-N 0 3 321.469 2.240 20 30 DEEDHN C=CCOc1cccc(CN(CC)CCN2CCOCC2)c1 ZINC001231624036 801698171 /nfs/dbraw/zinc/69/81/71/801698171.db2.gz DNPXZXVYHMXRCK-UHFFFAOYSA-N 0 3 304.434 2.406 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1n[nH]c3c1CCC3)C2 ZINC001232426850 801877893 /nfs/dbraw/zinc/87/78/93/801877893.db2.gz KYVMKRZOUYRXSQ-KSSFIOAISA-N 0 3 317.433 2.225 20 30 DEEDHN CCOC(=O)N1CCC(N(C)Cc2cc(C#N)ccn2)CC1 ZINC001232479368 801896670 /nfs/dbraw/zinc/89/66/70/801896670.db2.gz QUDKOHXTGQQRML-UHFFFAOYSA-N 0 3 302.378 2.006 20 30 DEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233098669 802026134 /nfs/dbraw/zinc/02/61/34/802026134.db2.gz KTJSMLVUWIPISQ-QWHCGFSZSA-N 0 3 304.413 2.288 20 30 DEEDHN CN(C)c1ccc(CN2CCC3SC(=O)C=C3C2)c(F)n1 ZINC001233117539 802029504 /nfs/dbraw/zinc/02/95/04/802029504.db2.gz VYRBVXKLXFWNLJ-LBPRGKRZSA-N 0 3 307.394 2.061 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)OCCCC)[C@H]2C1 ZINC001217469780 802077947 /nfs/dbraw/zinc/07/79/47/802077947.db2.gz SOSZHHMLVSHDIP-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN C#CCCCCC(=O)N1CCO[C@@H]2CN(CCCC=C)C[C@@H]21 ZINC001217684715 802096725 /nfs/dbraw/zinc/09/67/25/802096725.db2.gz VPBVLONIAMQTSC-DLBZAZTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)COC(C)(C)C)[C@H]2C1 ZINC001217690362 802100152 /nfs/dbraw/zinc/10/01/52/802100152.db2.gz LSCDPWXSWGDSOU-HRCADAONSA-N 0 3 324.465 2.068 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3ccsn3)[C@H]2C1 ZINC001218148141 802147019 /nfs/dbraw/zinc/14/70/19/802147019.db2.gz OXSRFMCUZZZSDV-VHDGCEQUSA-N 0 3 321.446 2.023 20 30 DEEDHN CC#CCCCC(=O)N1CCO[C@@H]2CN(CCCCCF)C[C@@H]21 ZINC001218504085 802192640 /nfs/dbraw/zinc/19/26/40/802192640.db2.gz SBYDMXJZADPOHL-DLBZAZTESA-N 0 3 324.440 2.231 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@H]2NCCC[C@H]2C(F)(F)F)c(O)c1 ZINC001218987727 802270283 /nfs/dbraw/zinc/27/02/83/802270283.db2.gz BGILCOXQFHBUNF-SKDRFNHKSA-N 0 3 313.279 2.133 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001219110491 802284136 /nfs/dbraw/zinc/28/41/36/802284136.db2.gz PDTCFLJUOZNCLF-SJORKVTESA-N 0 3 304.434 2.432 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)C(C)C)cc1C#N ZINC001234074089 802288800 /nfs/dbraw/zinc/28/88/00/802288800.db2.gz CVCNRVXRILUNBH-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCSCC)[C@@H](O)C1 ZINC001219263366 802302679 /nfs/dbraw/zinc/30/26/79/802302679.db2.gz LFAIUWRYTAOFML-CABCVRRESA-N 0 3 314.495 2.037 20 30 DEEDHN C[NH+]1CCC2(CC[C@H](COc3cc([O-])cc(C#N)c3)O2)CC1 ZINC001234141378 802307735 /nfs/dbraw/zinc/30/77/35/802307735.db2.gz NPVQATAJBUJFLD-OAHLLOKOSA-N 0 3 302.374 2.286 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001234159536 802314118 /nfs/dbraw/zinc/31/41/18/802314118.db2.gz BAJJRBWMJCHDTO-OAHLLOKOSA-N 0 3 321.469 2.159 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCCO1 ZINC001234162481 802315949 /nfs/dbraw/zinc/31/59/49/802315949.db2.gz SBYHZHIWQSZQRA-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@@H](N)C2Cc3ccccc3C2)c(C#N)c1 ZINC001219393314 802320936 /nfs/dbraw/zinc/32/09/36/802320936.db2.gz KASGTRKFTMHWBA-SFHVURJKSA-N 0 3 316.364 2.111 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1ccn(C)n1 ZINC001234223679 802329657 /nfs/dbraw/zinc/32/96/57/802329657.db2.gz BEKCEABWRZBAMQ-KRWDZBQOSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CO[C@H]1CCOC1 ZINC001234298008 802344090 /nfs/dbraw/zinc/34/40/90/802344090.db2.gz ZGSOGRLJBLSRAB-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219588988 802352320 /nfs/dbraw/zinc/35/23/20/802352320.db2.gz QDSXKGSJIBKLMZ-CVEARBPZSA-N 0 3 308.466 2.168 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001234322456 802352524 /nfs/dbraw/zinc/35/25/24/802352524.db2.gz IJWRBCVHXHSIGT-LSDHHAIUSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CC(C)(C)C=C)[C@@H](O)C1 ZINC001219706507 802368846 /nfs/dbraw/zinc/36/88/46/802368846.db2.gz ALVXMZMWSGLIKM-CVEARBPZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(F)ccc2CC)[C@@H](O)C1 ZINC001219944034 802392476 /nfs/dbraw/zinc/39/24/76/802392476.db2.gz KZZHAHNLNVKDMU-SJORKVTESA-N 0 3 320.408 2.129 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@@H](O)C1 ZINC001219989163 802399284 /nfs/dbraw/zinc/39/92/84/802399284.db2.gz LXJGXCWRLVUTHC-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001234517527 802399682 /nfs/dbraw/zinc/39/96/82/802399682.db2.gz MJPNCXQHBBCWGT-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCC[C@@H](C)O ZINC001234518131 802400648 /nfs/dbraw/zinc/40/06/48/802400648.db2.gz RWOTXYWKHKNMMT-NVXWUHKLSA-N 0 3 308.466 2.449 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)CC(F)F)[C@@H](O)C1 ZINC001220030055 802402461 /nfs/dbraw/zinc/40/24/61/802402461.db2.gz UWFODZDRIIUPSE-MCIONIFRSA-N 0 3 320.424 2.409 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCCCC)C[C@@H]2O)cc1 ZINC001220116805 802410938 /nfs/dbraw/zinc/41/09/38/802410938.db2.gz JOVZWTCVYXVERH-MSOLQXFVSA-N 0 3 314.429 2.023 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)C(=C)C)[C@@H](O)C1 ZINC001220133784 802413283 /nfs/dbraw/zinc/41/32/83/802413283.db2.gz NRARXJZIFUACIB-CVEARBPZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(Cl)cc2C)[C@@H](O)C1 ZINC001220260331 802435020 /nfs/dbraw/zinc/43/50/20/802435020.db2.gz OCNJPRHGUCHJEM-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CCN1CCCF)OCC ZINC001234640604 802438330 /nfs/dbraw/zinc/43/83/30/802438330.db2.gz AKHCDDSGLSLOAF-LSDHHAIUSA-N 0 3 300.418 2.250 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC[C@@H](C)c2ccccc2)[C@@H](O)C1 ZINC001220491039 802467281 /nfs/dbraw/zinc/46/72/81/802467281.db2.gz YVWQQWHGLDCJAI-NXHRZFHOSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC[C@H](C)c2ccccc2)[C@@H](O)C1 ZINC001220491038 802468384 /nfs/dbraw/zinc/46/83/84/802468384.db2.gz YVWQQWHGLDCJAI-JQHSSLGASA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C23CCC(CC2)C3(C)C)[C@@H](O)C1 ZINC001220506247 802469831 /nfs/dbraw/zinc/46/98/31/802469831.db2.gz INQQJESEFUJSON-BHEGOAEISA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@@H](O)C1 ZINC001220556404 802473447 /nfs/dbraw/zinc/47/34/47/802473447.db2.gz VPWNIDASBAIOJE-XKQJLSEDSA-N 0 3 320.433 2.127 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](O)C1 ZINC001220815669 802501004 /nfs/dbraw/zinc/50/10/04/802501004.db2.gz UYXZUALKZPARDA-CABCVRRESA-N 0 3 324.371 2.365 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2)[C@@H](O)C1 ZINC001221060337 802525888 /nfs/dbraw/zinc/52/58/88/802525888.db2.gz VEFPIGHRAJPTDB-XKQJLSEDSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2cc(C)sc2C)[C@@H](O)C1 ZINC001221128498 802530663 /nfs/dbraw/zinc/53/06/63/802530663.db2.gz PNMYTZRWJFTFJK-CVEARBPZSA-N 0 3 322.474 2.035 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001221189649 802535493 /nfs/dbraw/zinc/53/54/93/802535493.db2.gz CZLHZLJDPIDFLE-KGLIPLIRSA-N 0 3 308.466 2.186 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)N/C(=C/C(=O)OCC)OCC ZINC001221262376 802545642 /nfs/dbraw/zinc/54/56/42/802545642.db2.gz AIIVUTIXYSWJCA-BSHRGCEOSA-N 0 3 312.410 2.007 20 30 DEEDHN C#CCOCCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221544888 802591718 /nfs/dbraw/zinc/59/17/18/802591718.db2.gz LQFBACDPGHOUKR-QZTJIDSGSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](OCC)C3CCCC3)[C@@H]2C1 ZINC001221720156 802607196 /nfs/dbraw/zinc/60/71/96/802607196.db2.gz VGUXIKOKZBYFBT-KURKYZTESA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(C[C@H](C)OC)C[C@H]21 ZINC001221740357 802609205 /nfs/dbraw/zinc/60/92/05/802609205.db2.gz SZKSQBWMRFZZGO-GVDBMIGSSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCC[C@H](C)O)C[C@H]32)C1 ZINC001221802670 802616881 /nfs/dbraw/zinc/61/68/81/802616881.db2.gz PCFAJFXBOZTBSG-ARFHVFGLSA-N 0 3 306.450 2.036 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001222068130 802637002 /nfs/dbraw/zinc/63/70/02/802637002.db2.gz QGUNPRUIQWRMDB-JSGCOSHPSA-N 0 3 323.462 2.123 20 30 DEEDHN Cc1ccc(CN2CCC(CNC(=O)[C@@H](C)C#N)CC2)c(C)n1 ZINC001222635917 802719897 /nfs/dbraw/zinc/71/98/97/802719897.db2.gz DMXVZOXOFHFLGK-ZDUSSCGKSA-N 0 3 314.433 2.186 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223027771 802760119 /nfs/dbraw/zinc/76/01/19/802760119.db2.gz SJTTWYBDACOPTC-CQSZACIVSA-N 0 3 322.371 2.094 20 30 DEEDHN CC(C)C#CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223114751 802766960 /nfs/dbraw/zinc/76/69/60/802766960.db2.gz RDGAQZWIBPVRLJ-UHFFFAOYSA-N 0 3 304.356 2.426 20 30 DEEDHN N#Cc1ccc(CN2CCC(CNC(=O)C#CC3CC3)CC2)cc1 ZINC001223129948 802768431 /nfs/dbraw/zinc/76/84/31/802768431.db2.gz HMGRHFOLVDXEOM-UHFFFAOYSA-N 0 3 321.424 2.300 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CCN([C@H](CCCC)C(N)=O)CC1 ZINC001224058098 802833396 /nfs/dbraw/zinc/83/33/96/802833396.db2.gz ZYDNEHDWQXWFLB-OAHLLOKOSA-N 0 3 323.481 2.071 20 30 DEEDHN N#Cc1cncc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001224135685 802839972 /nfs/dbraw/zinc/83/99/72/802839972.db2.gz ZWXMPVCOGIEICV-CALCHBBNSA-N 0 3 301.390 2.113 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)Cc2ccco2)CC1 ZINC001224824749 802907728 /nfs/dbraw/zinc/90/77/28/802907728.db2.gz CENFXPPASGQFKR-HNNXBMFYSA-N 0 3 302.418 2.310 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C(C)C)n1 ZINC001225275916 802949742 /nfs/dbraw/zinc/94/97/42/802949742.db2.gz UQIQZBYREQRXPQ-ZIAGYGMSSA-N 0 3 319.453 2.411 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Oc2cccc(C)c2)CC1 ZINC001225356045 802957230 /nfs/dbraw/zinc/95/72/30/802957230.db2.gz BQRBYPWEOWQSJR-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC001225348849 802957603 /nfs/dbraw/zinc/95/76/03/802957603.db2.gz LWQSASBXEVMATQ-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccccc2F)CC1 ZINC001225813023 803015522 /nfs/dbraw/zinc/01/55/22/803015522.db2.gz NGQGWZTWDZMYKU-UHFFFAOYSA-N 0 3 306.381 2.223 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2ccsc2)CC1 ZINC001225884809 803024356 /nfs/dbraw/zinc/02/43/56/803024356.db2.gz RXIKJDSBZVXJLO-UHFFFAOYSA-N 0 3 308.447 2.074 20 30 DEEDHN COCc1cccc(CN2CCC(NC(=O)[C@H](C)C#N)CC2)c1 ZINC001226618016 803132529 /nfs/dbraw/zinc/13/25/29/803132529.db2.gz VIPRCMZHLBKYLE-CQSZACIVSA-N 0 3 315.417 2.073 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCN(CCCCC(F)(F)F)CC1 ZINC001226626048 803133409 /nfs/dbraw/zinc/13/34/09/803133409.db2.gz STJZWOWLTLPUAN-NSHDSACASA-N 0 3 305.344 2.459 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1nccn1C ZINC001227655767 803264868 /nfs/dbraw/zinc/26/48/68/803264868.db2.gz VZWVVOIECYINET-ZIAGYGMSSA-N 0 3 324.856 2.122 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)COc1ccc2ccccc2c1 ZINC001327994092 1148694833 /nfs/dbraw/zinc/69/48/33/1148694833.db2.gz ZRPOURRRERZKTM-IRXDYDNUSA-N 0 3 301.386 2.370 20 30 DEEDHN CCCC(=O)NC[C@@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001370122534 1149394340 /nfs/dbraw/zinc/39/43/40/1149394340.db2.gz CNZLCIDQICZEJN-MRXNPFEDSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](CNCc1ccnn1C)C1CC1 ZINC001331286799 1149411301 /nfs/dbraw/zinc/41/13/01/1149411301.db2.gz ADTULJNWNGLVIJ-INIZCTEOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001368856053 1148721067 /nfs/dbraw/zinc/72/10/67/1148721067.db2.gz JDXPTHDQCVCYOR-NWDGAFQWSA-N 0 3 324.856 2.066 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC001368856053 1148721078 /nfs/dbraw/zinc/72/10/78/1148721078.db2.gz JDXPTHDQCVCYOR-NWDGAFQWSA-N 0 3 324.856 2.066 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2oncc2C)C(C)(C)C1 ZINC001328099825 1148721692 /nfs/dbraw/zinc/72/16/92/1148721692.db2.gz ZJOQODASAGBHGP-AWEZNQCLSA-N 0 3 321.421 2.016 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(OCC)c(OC)c1 ZINC001331631977 1149564373 /nfs/dbraw/zinc/56/43/73/1149564373.db2.gz OXRGMRFJPAUSSE-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)NCc1c(C)cc(C)cc1C ZINC001331684783 1149599645 /nfs/dbraw/zinc/59/96/45/1149599645.db2.gz PUWFBBFIUZLTAT-INIZCTEOSA-N 0 3 304.434 2.145 20 30 DEEDHN C=CCC1(O)CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC001331733298 1149640470 /nfs/dbraw/zinc/64/04/70/1149640470.db2.gz BBPCJWOECLTQDQ-INIZCTEOSA-N 0 3 321.465 2.116 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H](C)c1c(C)noc1C ZINC001327224957 1148400354 /nfs/dbraw/zinc/40/03/54/1148400354.db2.gz IDIQTAKNRKIBKY-CYBMUJFWSA-N 0 3 305.422 2.199 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC001574962794 1069310666 /nfs/dbraw/zinc/31/06/66/1069310666.db2.gz OOHXAQPUACGJRZ-OAHLLOKOSA-N 0 3 319.836 2.038 20 30 DEEDHN CC(C)(C)C1CCC(C#N)(NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC001575120790 1069372544 /nfs/dbraw/zinc/37/25/44/1069372544.db2.gz ZCQCDVASGOCNGO-CSLYMUCUSA-N 0 3 321.465 2.370 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001523325486 1069630074 /nfs/dbraw/zinc/63/00/74/1069630074.db2.gz HGNNWHDLDRGPCD-MAUKXSAKSA-N 0 3 323.481 2.036 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSC(F)F ZINC001524036863 1069797883 /nfs/dbraw/zinc/79/78/83/1069797883.db2.gz DWBODGWDFPKYPF-MRVPVSSYSA-N 0 3 314.313 2.298 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NC(=O)CN(C)C(C)C)CCCC1 ZINC001526754682 1070344489 /nfs/dbraw/zinc/34/44/89/1070344489.db2.gz XGNNNIRWBUUCFT-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NC(=O)CN(C)C(C)C)CCCC1 ZINC001526754683 1070344616 /nfs/dbraw/zinc/34/46/16/1070344616.db2.gz XGNNNIRWBUUCFT-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001351109696 1151471443 /nfs/dbraw/zinc/47/14/43/1151471443.db2.gz UHXSCPHOVAIGOK-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)COC ZINC001328686726 1148824590 /nfs/dbraw/zinc/82/45/90/1148824590.db2.gz NOIASDZJXJKLLB-HZPDHXFCSA-N 0 3 302.418 2.217 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1nc(C)cs1 ZINC001328750973 1148831644 /nfs/dbraw/zinc/83/16/44/1148831644.db2.gz XLLHSUJIVRQHTA-CQSZACIVSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C(C)C)nn1C ZINC001328782030 1148834319 /nfs/dbraw/zinc/83/43/19/1148834319.db2.gz WAUSAZASNPRVMG-AWEZNQCLSA-N 0 3 304.438 2.266 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001532031271 1071604889 /nfs/dbraw/zinc/60/48/89/1071604889.db2.gz TWMNILMHPGHENP-VKJFTORMSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C(=O)c1cc(C)oc1C)C1CCN(CCOC)CC1 ZINC001500023584 1058438970 /nfs/dbraw/zinc/43/89/70/1058438970.db2.gz TUAODBJVXHNDGY-UHFFFAOYSA-N 0 3 318.417 2.083 20 30 DEEDHN COc1ccc(C(C)(C)CN2CC[C@](O)(CC#N)C2)cc1OC ZINC001462388440 1058816509 /nfs/dbraw/zinc/81/65/09/1058816509.db2.gz NMGPUXDCMXDBIW-GOSISDBHSA-N 0 3 318.417 2.332 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001500482042 1058831554 /nfs/dbraw/zinc/83/15/54/1058831554.db2.gz NQLIIZAAZKIYRJ-AEFFLSMTSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001500489071 1058845210 /nfs/dbraw/zinc/84/52/10/1058845210.db2.gz NIIXCWJTTHQYQA-SJLPKXTDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ncccc2CC)C1 ZINC001500505089 1058863321 /nfs/dbraw/zinc/86/33/21/1058863321.db2.gz JCBBSZOFSATBKQ-IBGZPJMESA-N 0 3 313.445 2.499 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001500689791 1059013249 /nfs/dbraw/zinc/01/32/49/1059013249.db2.gz QOSNJKPTHKKPKG-KRWDZBQOSA-N 0 3 324.371 2.016 20 30 DEEDHN CC(C)N1CCC(NC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC001463730529 1059014813 /nfs/dbraw/zinc/01/48/13/1059014813.db2.gz DUOFZHYCNSDUFM-VMPITWQZSA-N 0 3 318.392 2.397 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001500767127 1059075515 /nfs/dbraw/zinc/07/55/15/1059075515.db2.gz WZTMZRMEIMLVRB-GOSISDBHSA-N 0 3 314.385 2.094 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)NCc2cnns2)C1 ZINC001501050707 1059233969 /nfs/dbraw/zinc/23/39/69/1059233969.db2.gz MUTXITOEAYWEFP-OLZOCXBDSA-N 0 3 322.478 2.467 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccn(C)c1C ZINC001501197585 1059364336 /nfs/dbraw/zinc/36/43/36/1059364336.db2.gz MPYSWXGRAAFBHS-UHFFFAOYSA-N 0 3 309.413 2.199 20 30 DEEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)COCC)CC1 ZINC001501200225 1059369379 /nfs/dbraw/zinc/36/93/79/1059369379.db2.gz VQGYAVRGJQUICY-UHFFFAOYSA-N 0 3 317.433 2.097 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](CCNCc2ccncc2Cl)C1 ZINC001501544796 1059539684 /nfs/dbraw/zinc/53/96/84/1059539684.db2.gz RWETUWRDJWGNCV-STQMWFEESA-N 0 3 320.824 2.223 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](CCNCc2cnns2)C1 ZINC001501608281 1059571004 /nfs/dbraw/zinc/57/10/04/1059571004.db2.gz QFZVGICABAPVOV-AWEZNQCLSA-N 0 3 320.462 2.060 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2nn(C)cc2C)cc1 ZINC001501676500 1059626427 /nfs/dbraw/zinc/62/64/27/1059626427.db2.gz MMZLUDBQYWHPII-OAHLLOKOSA-N 0 3 324.428 2.332 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)[C@H](C)COC)C1 ZINC001368575011 1148502655 /nfs/dbraw/zinc/50/26/55/1148502655.db2.gz SNCXLJDNWQTYTK-YXCITZCRSA-N 0 3 302.846 2.142 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(C2OCCO2)c1 ZINC001467727955 1059691038 /nfs/dbraw/zinc/69/10/38/1059691038.db2.gz XSABXSSPSILTFC-UHFFFAOYSA-N 0 3 318.417 2.312 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccnc(OC)c2)CCC1 ZINC001501990053 1059840268 /nfs/dbraw/zinc/84/02/68/1059840268.db2.gz JPQDUWQDLOKMNM-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(CCCCC)n[nH]2)CCC1 ZINC001502008216 1059862011 /nfs/dbraw/zinc/86/20/11/1059862011.db2.gz AGUQCVOPGGQXJV-UHFFFAOYSA-N 0 3 302.422 2.018 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)Oc2ccccc2)CCC1 ZINC001502022563 1059878351 /nfs/dbraw/zinc/87/83/51/1059878351.db2.gz LRLZKQRJWXBMPJ-HNNXBMFYSA-N 0 3 300.402 2.106 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@@H](CNCc2cncs2)C1 ZINC001502056332 1059903635 /nfs/dbraw/zinc/90/36/35/1059903635.db2.gz VETAUOXXSQPXHZ-ZDUSSCGKSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001502099888 1059926917 /nfs/dbraw/zinc/92/69/17/1059926917.db2.gz RXUWAQOPKHWZAK-JVMBSBNBSA-N 0 3 305.466 2.137 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)CC1 ZINC001502127706 1059969871 /nfs/dbraw/zinc/96/98/71/1059969871.db2.gz SJAHHJQZJQDDGM-BBRMVZONSA-N 0 3 317.433 2.389 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ncnc2ccsc21 ZINC001502339350 1060050206 /nfs/dbraw/zinc/05/02/06/1060050206.db2.gz CYWXSLOJNLBRHW-UHFFFAOYSA-N 0 3 316.430 2.109 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001502353642 1060065670 /nfs/dbraw/zinc/06/56/70/1060065670.db2.gz RUPZQDMXLKYQLQ-HNNXBMFYSA-N 0 3 318.392 2.105 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001502574239 1060186001 /nfs/dbraw/zinc/18/60/01/1060186001.db2.gz AGHIMTJMLZZUIV-YJBOKZPZSA-N 0 3 308.466 2.025 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCC=C(Cl)Cl ZINC001502712272 1060240084 /nfs/dbraw/zinc/24/00/84/1060240084.db2.gz LPQQRTAUNKJENE-PWSUYJOCSA-N 0 3 301.217 2.155 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](NCc2cncs2)[C@@H](C)C1 ZINC001502734920 1060260014 /nfs/dbraw/zinc/26/00/14/1060260014.db2.gz MRKQIFRGLCENIR-ZFWWWQNUSA-N 0 3 305.447 2.273 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001505404775 1060539806 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C#CCOCCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(F)cc1 ZINC001505919134 1061132192 /nfs/dbraw/zinc/13/21/92/1061132192.db2.gz YTGCVXZHOZRZRC-HUUCEWRRSA-N 0 3 320.408 2.363 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001505919132 1061132687 /nfs/dbraw/zinc/13/26/87/1061132687.db2.gz YTGCVXZHOZRZRC-CABCVRRESA-N 0 3 320.408 2.363 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001505937440 1061152413 /nfs/dbraw/zinc/15/24/13/1061152413.db2.gz DVJZCOPGSZNVBO-GOEBONIOSA-N 0 3 301.434 2.233 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cccc2[nH]ccc21 ZINC001506005482 1061253438 /nfs/dbraw/zinc/25/34/38/1061253438.db2.gz BLOKRGCSUPEHLN-AWEZNQCLSA-N 0 3 315.417 2.421 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)C(C)(C)C)CC(C)(C)C1 ZINC001479748599 1061679914 /nfs/dbraw/zinc/67/99/14/1061679914.db2.gz YSZBLESIGDQQIR-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN N#Cc1ccc(CNC2CC(CNC(=O)CC3CC3)C2)c(F)c1 ZINC001479752146 1061683558 /nfs/dbraw/zinc/68/35/58/1061683558.db2.gz 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C=CCOCCN1CC2(C1)CCN(C(=O)CCCC#CC)CC2 ZINC001495976249 1065202443 /nfs/dbraw/zinc/20/24/43/1065202443.db2.gz DMJXTQZPEZZEQR-UHFFFAOYSA-N 0 3 318.461 2.307 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001568967630 1065219929 /nfs/dbraw/zinc/21/99/29/1065219929.db2.gz RQJYBKHGNFASTI-WLMCBFPDSA-N 0 3 314.429 2.159 20 30 DEEDHN CCCOCC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001496015527 1065228204 /nfs/dbraw/zinc/22/82/04/1065228204.db2.gz ABTNNZPXTRVGKB-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CC1=CCCCC1 ZINC001496021292 1065231455 /nfs/dbraw/zinc/23/14/55/1065231455.db2.gz XBSSQANCIPIENM-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCC(=O)N1CCCCCCC1 ZINC001569011632 1065239926 /nfs/dbraw/zinc/23/99/26/1065239926.db2.gz BYRNMWUTFVPPDX-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)CCNC(=O)[C@H]1CCCN1C(C)C ZINC001496032725 1065241811 /nfs/dbraw/zinc/24/18/11/1065241811.db2.gz 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C=C[C@@](C)(O)CC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001570476393 1066088128 /nfs/dbraw/zinc/08/81/28/1066088128.db2.gz BKQFXEWPQARFHT-IEBWSBKVSA-N 0 3 316.445 2.438 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)CCc1ccns1 ZINC001570527544 1066106424 /nfs/dbraw/zinc/10/64/24/1066106424.db2.gz HXTCSQXZGHASQU-OAHLLOKOSA-N 0 3 319.474 2.412 20 30 DEEDHN C[C@@H](C(=O)NC/C=C\CNCc1ccc(C#N)cc1)n1cccc1 ZINC001497565687 1066142030 /nfs/dbraw/zinc/14/20/30/1066142030.db2.gz SNSJGWCAUMHINI-YPQKKHBXSA-N 0 3 322.412 2.383 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)c2ccc(F)cn2)cc1 ZINC001497565598 1066142147 /nfs/dbraw/zinc/14/21/47/1066142147.db2.gz BDOPYFZODPSJDA-OWOJBTEDSA-N 0 3 324.359 2.168 20 30 DEEDHN Cc1cc(F)ccc1CNC/C=C\CNC(=O)C#CC1CC1 ZINC001497582109 1066149154 /nfs/dbraw/zinc/14/91/54/1066149154.db2.gz AGAQGHZKIMZKEH-IHWYPQMZSA-N 0 3 300.377 2.310 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001497768084 1066297472 /nfs/dbraw/zinc/29/74/72/1066297472.db2.gz WXCXFUCGVAPBEP-FYCOFBDGSA-N 0 3 314.429 2.474 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001498036433 1066471599 /nfs/dbraw/zinc/47/15/99/1066471599.db2.gz WHZZQKCMOWGMOV-HNNXBMFYSA-N 0 3 302.418 2.401 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCC(=O)N1CCCC[C@H]1C ZINC001498087024 1066495497 /nfs/dbraw/zinc/49/54/97/1066495497.db2.gz NXFMKNBHGHDFTK-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)CN(C)Cc2cccc(C#N)c2)co1 ZINC001498289068 1066617938 /nfs/dbraw/zinc/61/79/38/1066617938.db2.gz KXZKIYBSTWSJLT-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC001576627393 1066649317 /nfs/dbraw/zinc/64/93/17/1066649317.db2.gz QSBIPGKYLOWLOW-VNQPRFMTSA-N 0 3 300.406 2.402 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)[C@@H]1c1ccccc1 ZINC001576763596 1066683177 /nfs/dbraw/zinc/68/31/77/1066683177.db2.gz VQJZZJBZESMSNE-LGZPPEINSA-N 0 3 309.413 2.345 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1occc1Br ZINC001498410882 1066687934 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ZINC001635753439 1078457705 /nfs/dbraw/zinc/45/77/05/1078457705.db2.gz WXGAUMLKYYPEPP-UHFFFAOYSA-N 0 3 312.845 2.445 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(N2CCCC2)nc1 ZINC001635753064 1078457813 /nfs/dbraw/zinc/45/78/13/1078457813.db2.gz FMGPVWUWPVGWFZ-UHFFFAOYSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc2cccc(C)n21 ZINC001635757669 1078457856 /nfs/dbraw/zinc/45/78/56/1078457856.db2.gz HLRSAEABOZEGOW-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C#CC1(F)CN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC001635904167 1078461907 /nfs/dbraw/zinc/46/19/07/1078461907.db2.gz LWILGICLFOGSAY-HOCLYGCPSA-N 0 3 315.392 2.016 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)c1 ZINC001499191286 1067136959 /nfs/dbraw/zinc/13/69/59/1067136959.db2.gz FGBWPLKRPYJVRA-FVQHAEBGSA-N 0 3 309.413 2.343 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccc(Cl)c(C)c2)CC1 ZINC001499336577 1067187587 /nfs/dbraw/zinc/18/75/87/1067187587.db2.gz YEFKZJNFVCZMBH-UHFFFAOYSA-N 0 3 320.820 2.150 20 30 DEEDHN CC[C@@H](C(=O)NC[C@@H](C)NCC#CCOC)c1ccc(F)cc1 ZINC001266993656 1078486305 /nfs/dbraw/zinc/48/63/05/1078486305.db2.gz BPDXLOLBWQITRX-RHSMWYFYSA-N 0 3 320.408 2.063 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NC(=O)CN(CC)CC)CC1 ZINC001579275123 1067284660 /nfs/dbraw/zinc/28/46/60/1067284660.db2.gz QRDXZLZGTSZHNO-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC001483406009 1078513300 /nfs/dbraw/zinc/51/33/00/1078513300.db2.gz PAGODQKUHZTIMX-SJLPKXTDSA-N 0 3 315.461 2.139 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001483440403 1078533235 /nfs/dbraw/zinc/53/32/35/1078533235.db2.gz FKFJDGOQFWWBLE-LSDHHAIUSA-N 0 3 319.453 2.234 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2coc(CCC)n2)C1 ZINC001267113520 1078590577 /nfs/dbraw/zinc/59/05/77/1078590577.db2.gz NDTLEAJEAOLRQH-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC001267116338 1078593769 /nfs/dbraw/zinc/59/37/69/1078593769.db2.gz FWKGOVKHIFSNQE-DOTOQJQBSA-N 0 3 312.413 2.109 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@@H](C)CN(C)C(=O)[C@@H](C)C#N ZINC001369231538 1148875889 /nfs/dbraw/zinc/87/58/89/1148875889.db2.gz FKDSNGCOQDLTFL-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC)cc1OC ZINC001640015959 1078637813 /nfs/dbraw/zinc/63/78/13/1078637813.db2.gz LFXWJZMSVYMRIY-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1ccnnc1 ZINC001267178055 1078641326 /nfs/dbraw/zinc/64/13/26/1078641326.db2.gz PINMSUGGLMLODO-CQSZACIVSA-N 0 3 308.813 2.204 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001570710747 1068085140 /nfs/dbraw/zinc/08/51/40/1068085140.db2.gz OHVKLAKMQQZEPZ-MIJBNRBISA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCC1(C(=O)NC[C@H](C)N(C)CCOCC)CCCCC1 ZINC001570753315 1068108842 /nfs/dbraw/zinc/10/88/42/1068108842.db2.gz HCIKAJWDJQQTON-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN(C)CCNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001267195517 1078657375 /nfs/dbraw/zinc/65/73/75/1078657375.db2.gz CQHMMGBMNRKFHN-IAGOWNOFSA-N 0 3 302.418 2.041 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H]1[C@H]2CN(CC#CC)C[C@H]21)c1ccccc1 ZINC001570961784 1068167075 /nfs/dbraw/zinc/16/70/75/1068167075.db2.gz QAHLTEQRKBJUFW-CADBVGFASA-N 0 3 308.425 2.274 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC001571148645 1068186876 /nfs/dbraw/zinc/18/68/76/1068186876.db2.gz WGLGWZHTWDQTHO-JHJVBQTASA-N 0 3 308.451 2.125 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)[C@@H]1C ZINC001511169008 1068224374 /nfs/dbraw/zinc/22/43/74/1068224374.db2.gz GGMNNUIRANIWER-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001267218199 1078673611 /nfs/dbraw/zinc/67/36/11/1078673611.db2.gz ZNWTYPLKJQNVIQ-MSOLQXFVSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H](NCc1nccn1C)C(C)C ZINC001571350609 1068241362 /nfs/dbraw/zinc/24/13/62/1068241362.db2.gz MDJGBJPVPCTFAZ-CQSZACIVSA-N 0 3 306.454 2.253 20 30 DEEDHN C#CCCN(C)CCNC(=O)C(C)(C)c1cccc(OC)c1 ZINC001267224598 1078677361 /nfs/dbraw/zinc/67/73/61/1078677361.db2.gz GILXEBUXNOIAGA-UHFFFAOYSA-N 0 3 302.418 2.044 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1CCCCCCC1 ZINC001571395390 1068272654 /nfs/dbraw/zinc/27/26/54/1068272654.db2.gz FRXATFVXYPSVJH-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)NCc1c(C)cccc1C ZINC001571431621 1068290930 /nfs/dbraw/zinc/29/09/30/1068290930.db2.gz ZCMLONDLIHLVHO-INIZCTEOSA-N 0 3 304.434 2.226 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](NCc2cccnc2)C[C@H]1C ZINC001571474693 1068326126 /nfs/dbraw/zinc/32/61/26/1068326126.db2.gz IEUVJTVUSISTQJ-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(CC)Cc1cc(F)ccc1C ZINC001267240959 1078691688 /nfs/dbraw/zinc/69/16/88/1078691688.db2.gz FUAIAHFJIMEIPY-HNNXBMFYSA-N 0 3 320.408 2.111 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001267247823 1078696151 /nfs/dbraw/zinc/69/61/51/1078696151.db2.gz WZWGTCOLARFCSD-UHFFFAOYSA-N 0 3 301.312 2.338 20 30 DEEDHN C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001571506562 1068365791 /nfs/dbraw/zinc/36/57/91/1068365791.db2.gz GWVFJSIMITXRTD-HYVNUMGLSA-N 0 3 312.413 2.246 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](OC)[C@@H](C)CC)CC2)CC1 ZINC001571668962 1068469663 /nfs/dbraw/zinc/46/96/63/1068469663.db2.gz JVMJYFJLMNYJMO-RDJZCZTQSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001267276478 1078721952 /nfs/dbraw/zinc/72/19/52/1078721952.db2.gz QLCGSTQPVKMJCZ-LBPRGKRZSA-N 0 3 311.813 2.065 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001571925680 1068578021 /nfs/dbraw/zinc/57/80/21/1068578021.db2.gz HOPSRPJNTCULKW-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NC(=O)CN(CC)CC)C(C)(C)C1 ZINC001571982720 1068604336 /nfs/dbraw/zinc/60/43/36/1068604336.db2.gz VZSRMWODUNTFHD-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C[C@H](CC)OC)C2CC2)cc1 ZINC001267331139 1078770263 /nfs/dbraw/zinc/77/02/63/1078770263.db2.gz ZIPAKSXNTPJRCK-SFHVURJKSA-N 0 3 314.429 2.287 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001572299225 1068723827 /nfs/dbraw/zinc/72/38/27/1068723827.db2.gz XQDBYFBJVMJKMH-PBHICJAKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN(CCNC(=O)CCc1c(C)noc1C)C1CC1 ZINC001267337158 1078775337 /nfs/dbraw/zinc/77/53/37/1078775337.db2.gz JJNKMQMZZSYLMI-UHFFFAOYSA-N 0 3 305.422 2.381 20 30 DEEDHN COc1cc(CNCCN(C)C(=O)[C@H](C)C#N)ccc1Cl ZINC001267355209 1078788293 /nfs/dbraw/zinc/78/82/93/1078788293.db2.gz KZWMYPJHSUJWOS-LLVKDONJSA-N 0 3 309.797 2.056 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@]23CCN(C2)CCC3)cc1OC ZINC001643182791 1078789328 /nfs/dbraw/zinc/78/93/28/1078789328.db2.gz PQOFIBCRGBCMAO-SFHVURJKSA-N 0 3 316.401 2.228 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)COC1CCCC1 ZINC001267348841 1078784153 /nfs/dbraw/zinc/78/41/53/1078784153.db2.gz KIMMFMOSTMKATG-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN CC[C@@H](C)N1CCN(c2nnc(C(C)(C)C#N)n2CC)CC1 ZINC001650292726 1079505070 /nfs/dbraw/zinc/50/50/70/1079505070.db2.gz JZYLXUGJSPDOQL-CYBMUJFWSA-N 0 3 304.442 2.020 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1c(C)n[nH]c1C ZINC001483702464 1078823350 /nfs/dbraw/zinc/82/33/50/1078823350.db2.gz SLUJTOMJNUKZKT-OAHLLOKOSA-N 0 3 304.438 2.116 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@]1(F)CCOC1)c1ccccc1 ZINC001518304345 1069000216 /nfs/dbraw/zinc/00/02/16/1069000216.db2.gz DKAOUIHFHBMSSY-JKIFEVAISA-N 0 3 318.348 2.091 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001267397002 1078829518 /nfs/dbraw/zinc/82/95/18/1078829518.db2.gz IJGVHDAEHPBTPT-XUWVNRHRSA-N 0 3 312.429 2.391 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](CCCO)c2ccccc2)CC1 ZINC001519363022 1069042481 /nfs/dbraw/zinc/04/24/81/1069042481.db2.gz PBKQQRCVGVHIDU-SFHVURJKSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2cnc(C)cn2)C1 ZINC001272377452 1078841267 /nfs/dbraw/zinc/84/12/67/1078841267.db2.gz WPPWMDKKMZPBKD-OAHLLOKOSA-N 0 3 302.422 2.079 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1nc2cc(F)ccc2n1C ZINC001521482923 1069246081 /nfs/dbraw/zinc/24/60/81/1069246081.db2.gz YLFDTMDEHMNVKZ-LBPRGKRZSA-N 0 3 304.369 2.012 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001521908504 1069280956 /nfs/dbraw/zinc/28/09/56/1069280956.db2.gz XDADPUQSBMIUPW-SRVKXCTJSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CCCNC(=O)OC(C)(C)C ZINC001574901871 1069290976 /nfs/dbraw/zinc/29/09/76/1069290976.db2.gz VRDZKNVZFANLPZ-ZDUSSCGKSA-N 0 3 313.442 2.043 20 30 DEEDHN N#CCCCNC(=O)[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001272502125 1078931997 /nfs/dbraw/zinc/93/19/97/1078931997.db2.gz HHHGUAVBXWYTJM-GFCCVEGCSA-N 0 3 317.355 2.461 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnn(C)c1CC)c1ccccc1 ZINC001267519315 1078948347 /nfs/dbraw/zinc/94/83/47/1078948347.db2.gz DHKNBMYXPKOJSF-QGZVFWFLSA-N 0 3 324.428 2.067 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(CO)cc1 ZINC001272565974 1078964510 /nfs/dbraw/zinc/96/45/10/1078964510.db2.gz UKEHVPYGDRJJMR-IBGZPJMESA-N 0 3 314.429 2.322 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2ccnn2C)C1 ZINC001267541476 1078971931 /nfs/dbraw/zinc/97/19/31/1078971931.db2.gz BSBILNUXLQWBHW-KRWDZBQOSA-N 0 3 318.465 2.242 20 30 DEEDHN Cn1cccc1CN1CCC2(C[C@@H]2C(=O)NCCCC#N)CC1 ZINC001272577476 1078977016 /nfs/dbraw/zinc/97/70/16/1078977016.db2.gz KLXQUTGAKUUPKM-MRXNPFEDSA-N 0 3 314.433 2.047 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@H]3CC[C@H](F)C3)CC2)c1 ZINC001483762292 1079083722 /nfs/dbraw/zinc/08/37/22/1079083722.db2.gz IGERYDBPTOFEDS-HOTGVXAUSA-N 0 3 315.392 2.435 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2CCOc2ccccc2)C1=O ZINC001272667841 1079088469 /nfs/dbraw/zinc/08/84/69/1079088469.db2.gz XKWPCQCSGDUSNK-GOSISDBHSA-N 0 3 300.402 2.318 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1oncc1C ZINC001272675043 1079111197 /nfs/dbraw/zinc/11/11/97/1079111197.db2.gz FELLSXWBRRTBNS-UHFFFAOYSA-N 0 3 311.385 2.368 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCC[C@@H]1CNCCF ZINC001649438381 1079117555 /nfs/dbraw/zinc/11/75/55/1079117555.db2.gz BRUCBIWCYMJLEC-ZBFHGGJFSA-N 0 3 300.418 2.155 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001483796098 1079125526 /nfs/dbraw/zinc/12/55/26/1079125526.db2.gz BJOBDWDZZMUNAM-JKSUJKDBSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)OCC(C)C)C2)C1 ZINC001483829106 1079141087 /nfs/dbraw/zinc/14/10/87/1079141087.db2.gz GWAPWYNYPLETQR-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)OCC3CC3)C2)C1 ZINC001483830920 1079141629 /nfs/dbraw/zinc/14/16/29/1079141629.db2.gz PWSLJINRWNEGAO-QFBILLFUSA-N 0 3 318.461 2.139 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481081188 1079162605 /nfs/dbraw/zinc/16/26/05/1079162605.db2.gz XMKSBIPAYMRIHL-CZUORRHYSA-N 0 3 317.458 2.248 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2ccc(C)nc2C)C1 ZINC001481091475 1079173849 /nfs/dbraw/zinc/17/38/49/1079173849.db2.gz QBFUCYMIPZXOOM-KRWDZBQOSA-N 0 3 313.445 2.440 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001481100344 1079183938 /nfs/dbraw/zinc/18/39/38/1079183938.db2.gz OIVOMAIJSPAKLT-QGZVFWFLSA-N 0 3 323.440 2.411 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@H]2CNCc2cnn(C)c2)CCC1 ZINC001483942985 1079199565 /nfs/dbraw/zinc/19/95/65/1079199565.db2.gz PRNFINDKUWMKJV-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC001267610574 1079212258 /nfs/dbraw/zinc/21/22/58/1079212258.db2.gz GPYSAEKMKKQTIK-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)CCCC)C1CCN(CCOC)CC1 ZINC001483982669 1079219296 /nfs/dbraw/zinc/21/92/96/1079219296.db2.gz CGVVEQOFZQZPIF-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN(C(=O)[C@H](C)CCCC)C1CCN(CCOC)CC1 ZINC001483982670 1079219404 /nfs/dbraw/zinc/21/94/04/1079219404.db2.gz CGVVEQOFZQZPIF-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN(C(=O)CC1CCOCC1)C1CCN(CC(=C)C)CC1 ZINC001483982184 1079224866 /nfs/dbraw/zinc/22/48/66/1079224866.db2.gz LMBQANCNUYHFNL-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001481139412 1079247306 /nfs/dbraw/zinc/24/73/06/1079247306.db2.gz VZNXDFOUKNWDBJ-HNNXBMFYSA-N 0 3 316.449 2.246 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1sc(C)nc1C ZINC001481142470 1079248076 /nfs/dbraw/zinc/24/80/76/1079248076.db2.gz HMHGMKQGDHQAKD-UHFFFAOYSA-N 0 3 307.463 2.154 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(C(=O)OCC)c1ccccc1 ZINC001646173589 1074359921 /nfs/dbraw/zinc/35/99/21/1074359921.db2.gz WLQCMRRZIVNECD-XJKSGUPXSA-N 0 3 324.808 2.051 20 30 DEEDHN C#CCN(CCC)CCNC(=O)CC(F)(F)C(F)(F)F ZINC001481153768 1079262584 /nfs/dbraw/zinc/26/25/84/1079262584.db2.gz CJEXZZKGCDOQEU-UHFFFAOYSA-N 0 3 300.271 2.036 20 30 DEEDHN C[C@@H](CN1CCOCC1)N(C)Cc1cc(Cl)cc(C#N)c1 ZINC001646323851 1074414236 /nfs/dbraw/zinc/41/42/36/1074414236.db2.gz XQLAXBCTHDEYMV-ZDUSSCGKSA-N 0 3 307.825 2.364 20 30 DEEDHN CCn1c([C@@H](C)CCC#N)nnc1N1CCN(CC(C)C)CC1 ZINC001646717625 1074573938 /nfs/dbraw/zinc/57/39/38/1074573938.db2.gz WLUBRFGBRAJAJZ-HNNXBMFYSA-N 0 3 318.469 2.483 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2cnccc2n1)C1CC1 ZINC001481188578 1079310469 /nfs/dbraw/zinc/31/04/69/1079310469.db2.gz QZLCXWKZXSOBHH-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COCc2ccccc2C)C1 ZINC001267632013 1079314253 /nfs/dbraw/zinc/31/42/53/1079314253.db2.gz IFKKSYUHQBUULO-SFHVURJKSA-N 0 3 314.429 2.116 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC001484145954 1079323254 /nfs/dbraw/zinc/32/32/54/1079323254.db2.gz MKRNDJBMEOTZBW-INIZCTEOSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ncc(OC)cc2F)C1 ZINC001484159677 1079335275 /nfs/dbraw/zinc/33/52/75/1079335275.db2.gz DFGNLWPRZSUQLF-KRWDZBQOSA-N 0 3 321.396 2.247 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001484161544 1079336661 /nfs/dbraw/zinc/33/66/61/1079336661.db2.gz RWVHDGFQCODOSF-GOSISDBHSA-N 0 3 316.449 2.237 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001647452220 1074931472 /nfs/dbraw/zinc/93/14/72/1074931472.db2.gz VSTIYBKKXDHFQN-STQMWFEESA-N 0 3 307.825 2.099 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(CC)CCN(C)CC=C ZINC001556467082 1075032378 /nfs/dbraw/zinc/03/23/78/1075032378.db2.gz YUILXWVCNUVNOV-UHFFFAOYSA-N 0 3 303.406 2.226 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001556963234 1075050729 /nfs/dbraw/zinc/05/07/29/1075050729.db2.gz HUQYJHMBFFFDAZ-UHFFFAOYSA-N 0 3 324.446 2.148 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001567934985 1075129669 /nfs/dbraw/zinc/12/96/69/1075129669.db2.gz AVNDYTZLUWTCOL-HNNXBMFYSA-N 0 3 319.449 2.316 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001484244906 1079366590 /nfs/dbraw/zinc/36/65/90/1079366590.db2.gz LQTCUDFYJRGMCE-RDTXWAMCSA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001565829953 1075192277 /nfs/dbraw/zinc/19/22/77/1075192277.db2.gz QFJBAIOWCSEODB-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001565837747 1075194093 /nfs/dbraw/zinc/19/40/93/1075194093.db2.gz NXDUFASDWWBOQL-BHYGNILZSA-N 0 3 316.470 2.274 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001565861124 1075199232 /nfs/dbraw/zinc/19/92/32/1075199232.db2.gz WGJLLMYUIABFGI-HDJSIYSDSA-N 0 3 303.406 2.041 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@@H]2C1(C)C ZINC001565995219 1075214485 /nfs/dbraw/zinc/21/44/85/1075214485.db2.gz POFOSILRZAAOAY-JQHSSLGASA-N 0 3 318.461 2.208 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@H](NCC(=O)NC(C)C)C1 ZINC001566072444 1075224938 /nfs/dbraw/zinc/22/49/38/1075224938.db2.gz TZXRETGJHWRLPF-INIZCTEOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)[C@H]1C ZINC001566117089 1075230747 /nfs/dbraw/zinc/23/07/47/1075230747.db2.gz HEMSDTQTIWGLIG-HYVNUMGLSA-N 0 3 323.481 2.082 20 30 DEEDHN CCCCNCc1nc2c(s1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001566125342 1075232802 /nfs/dbraw/zinc/23/28/02/1075232802.db2.gz FABKFQODCHVZTH-NSHDSACASA-N 0 3 306.435 2.077 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(C)Cc1ccnc(N(C)C)c1 ZINC001566481629 1075255214 /nfs/dbraw/zinc/25/52/14/1075255214.db2.gz JXVRCXNXNQLDLJ-UHFFFAOYSA-N 0 3 318.465 2.298 20 30 DEEDHN C=CCC1(C(=O)NCC2CN(CC[C@H](C)F)C2)CCOCC1 ZINC001267696860 1079385375 /nfs/dbraw/zinc/38/53/75/1079385375.db2.gz AGFKOZAGPVSPLZ-AWEZNQCLSA-N 0 3 312.429 2.155 20 30 DEEDHN CC[C@@H]1CCC[C@H]1C(=O)NCCCN(CC#CCOC)C1CC1 ZINC001566596314 1075293191 /nfs/dbraw/zinc/29/31/91/1075293191.db2.gz CQUZJPWOIZDNLO-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001566631537 1075302286 /nfs/dbraw/zinc/30/22/86/1075302286.db2.gz YPOUEPZPQJSHKI-MSOLQXFVSA-N 0 3 313.445 2.425 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C[C@H](C)C2CC2)CC1 ZINC001566645951 1075303956 /nfs/dbraw/zinc/30/39/56/1075303956.db2.gz CONGVMAREGBESF-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H](CN(C)CCF)C1 ZINC001566736966 1075331115 /nfs/dbraw/zinc/33/11/15/1075331115.db2.gz VAYUAPZRINNVQI-HUUCEWRRSA-N 0 3 300.418 2.108 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)CCC(C)C)CC1 ZINC001566684540 1075317282 /nfs/dbraw/zinc/31/72/82/1075317282.db2.gz QNPFPASEXOBNDA-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC12CCN(Cc1cnn(C)c1)CC2 ZINC001566691200 1075318709 /nfs/dbraw/zinc/31/87/09/1075318709.db2.gz ICLQVQWVYQRGFT-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)COCC2CCCC2)CC1 ZINC001566689941 1075318758 /nfs/dbraw/zinc/31/87/58/1075318758.db2.gz XMKSEKQMHCVFBH-KRWDZBQOSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](CN(C)CCF)C1 ZINC001566736965 1075330836 /nfs/dbraw/zinc/33/08/36/1075330836.db2.gz VAYUAPZRINNVQI-GJZGRUSLSA-N 0 3 300.418 2.108 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)OCc2cccc(C)c2)C1 ZINC001566770417 1075340662 /nfs/dbraw/zinc/34/06/62/1075340662.db2.gz PEUUQRZJXNIMEV-WMZOPIPTSA-N 0 3 314.429 2.114 20 30 DEEDHN CCCCCC[C@H](C)C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001566774056 1075341219 /nfs/dbraw/zinc/34/12/19/1075341219.db2.gz ARFJUOQZPFATGJ-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN Cc1cccnc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001566834149 1075356712 /nfs/dbraw/zinc/35/67/12/1075356712.db2.gz DYKZBTLLRHWGHO-HDICACEKSA-N 0 3 319.408 2.292 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001566848046 1075360843 /nfs/dbraw/zinc/36/08/43/1075360843.db2.gz BAPYQDAARWPFFU-CALCHBBNSA-N 0 3 314.433 2.106 20 30 DEEDHN O=C(c1ncc[nH]1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001566936978 1075393012 /nfs/dbraw/zinc/39/30/12/1075393012.db2.gz JJIPSGBTDFERCB-QGZVFWFLSA-N 0 3 322.412 2.046 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCC(=O)N(C)CC ZINC001566948180 1075396793 /nfs/dbraw/zinc/39/67/93/1075396793.db2.gz PTYOAXPMNGBOER-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001567020591 1075418286 /nfs/dbraw/zinc/41/82/86/1075418286.db2.gz WEMIUKICFHRRLB-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCC(=O)NC(C)(C)C)CCCC1 ZINC001567085066 1075429766 /nfs/dbraw/zinc/42/97/66/1075429766.db2.gz FQYOUCNDNZTRED-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001567126727 1075438298 /nfs/dbraw/zinc/43/82/98/1075438298.db2.gz DBOQNLOHPMTQHY-OAHLLOKOSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H]2CCOC2)cc1 ZINC001567181695 1075455200 /nfs/dbraw/zinc/45/52/00/1075455200.db2.gz WSZNKYRHJDITAO-MRXNPFEDSA-N 0 3 322.836 2.224 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](OCC)C2CCCC2)C1 ZINC001567195978 1075460877 /nfs/dbraw/zinc/46/08/77/1075460877.db2.gz GDPDTNPTSIIKAP-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H](C)NCc2nccn2C)CC1 ZINC001567228917 1075469055 /nfs/dbraw/zinc/46/90/55/1075469055.db2.gz KNUQUBCBBUZSPT-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001567281875 1075485877 /nfs/dbraw/zinc/48/58/77/1075485877.db2.gz WUAYYWVGJDXPJN-GOEBONIOSA-N 0 3 318.417 2.041 20 30 DEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCC[C@H](F)C2)c1 ZINC001650165359 1079432054 /nfs/dbraw/zinc/43/20/54/1079432054.db2.gz ZEETZLATLRZUCN-UONOGXRCSA-N 0 3 310.394 2.202 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNCC(=O)N1CCCC[C@@H]1CC ZINC001481235680 1079444909 /nfs/dbraw/zinc/44/49/09/1079444909.db2.gz WOEIPGKWOLNINJ-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCOc2ccccc2OC)C1 ZINC001267754675 1079455601 /nfs/dbraw/zinc/45/56/01/1079455601.db2.gz OPGIAYQAMIMOEP-OAHLLOKOSA-N 0 3 318.417 2.231 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)CCOc1ccccc1F ZINC001329432476 1148894408 /nfs/dbraw/zinc/89/44/08/1148894408.db2.gz TYMCCAJOFASHNY-OAHLLOKOSA-N 0 3 320.408 2.300 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267772041 1079479467 /nfs/dbraw/zinc/47/94/67/1079479467.db2.gz RVRBIBKUFPLHDY-QWHCGFSZSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001267780489 1079490884 /nfs/dbraw/zinc/49/08/84/1079490884.db2.gz OWZRVSTUBDZQOB-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN[C@H](C)C(=O)NC1CCCCC1 ZINC001481267457 1079493401 /nfs/dbraw/zinc/49/34/01/1079493401.db2.gz YPUYUQHCQCNAAP-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOc1ccc(C(=O)NCCN2CCC(C)(C)C2)cc1 ZINC001586241838 1076394220 /nfs/dbraw/zinc/39/42/20/1076394220.db2.gz HEBVCCWTNIWTIV-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN N#CC1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001592671460 1076949895 /nfs/dbraw/zinc/94/98/95/1076949895.db2.gz OPEBSWCWCGAXNQ-UHFFFAOYSA-N 0 3 314.368 2.425 20 30 DEEDHN N#CC1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001592671460 1076949899 /nfs/dbraw/zinc/94/98/99/1076949899.db2.gz OPEBSWCWCGAXNQ-UHFFFAOYSA-N 0 3 314.368 2.425 20 30 DEEDHN C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053278 1077749652 /nfs/dbraw/zinc/74/96/52/1077749652.db2.gz FHVGUJZSXVEIAV-GDBMZVCRSA-N 0 3 313.405 2.161 20 30 DEEDHN C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053278 1077749656 /nfs/dbraw/zinc/74/96/56/1077749656.db2.gz FHVGUJZSXVEIAV-GDBMZVCRSA-N 0 3 313.405 2.161 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@]2(CNCCF)CCCC[C@H]2C)c1 ZINC001267874299 1079562937 /nfs/dbraw/zinc/56/29/37/1079562937.db2.gz SJXLSJBNAAUFLI-RDTXWAMCSA-N 0 3 317.408 2.301 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H](C)OC ZINC001484397829 1079586061 /nfs/dbraw/zinc/58/60/61/1079586061.db2.gz MUQVRPCIULAMKH-MRXNPFEDSA-N 0 3 302.418 2.053 20 30 DEEDHN CC(C)C#CC(=O)N[C@@]1(CO)CCCN(CC2=CCCCC2)C1 ZINC001484435264 1079608262 /nfs/dbraw/zinc/60/82/62/1079608262.db2.gz PCQOWTPKZHAJAX-IBGZPJMESA-N 0 3 318.461 2.089 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)c2cccnc2)cc1 ZINC001267939867 1079620209 /nfs/dbraw/zinc/62/02/09/1079620209.db2.gz YROLDNPWPBVDJB-OAHLLOKOSA-N 0 3 307.397 2.224 20 30 DEEDHN CO[C@H](C)CC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001484627118 1079696388 /nfs/dbraw/zinc/69/63/88/1079696388.db2.gz WILLGCKLOZTHGX-GFCCVEGCSA-N 0 3 321.446 2.173 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)Oc2cccc(C)c2)CCC1 ZINC001484661485 1079715765 /nfs/dbraw/zinc/71/57/65/1079715765.db2.gz SYMCXFKTEOYUOO-OAHLLOKOSA-N 0 3 300.402 2.024 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccccc2C(C)(C)C)CCO1 ZINC001484679768 1079724134 /nfs/dbraw/zinc/72/41/34/1079724134.db2.gz FXGNEGUWTJVJNJ-HNNXBMFYSA-N 0 3 314.429 2.048 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N2CCN(CCC3CC3)CC2)C1 ZINC001484701565 1079728490 /nfs/dbraw/zinc/72/84/90/1079728490.db2.gz JCDSNKZMMUEAFS-SFHVURJKSA-N 0 3 319.493 2.361 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001484702243 1079729406 /nfs/dbraw/zinc/72/94/06/1079729406.db2.gz VXGPVNWDXYBBJB-WMZOPIPTSA-N 0 3 319.493 2.217 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1cn(C)nc1C)c1ccccc1 ZINC001481363324 1079758057 /nfs/dbraw/zinc/75/80/57/1079758057.db2.gz LCVOFNSCONQLRA-QGZVFWFLSA-N 0 3 312.417 2.365 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@@H]1CCOC1 ZINC001481379531 1079768650 /nfs/dbraw/zinc/76/86/50/1079768650.db2.gz BNCUAXMQGZMXDL-KURKYZTESA-N 0 3 318.461 2.138 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001484769530 1079786507 /nfs/dbraw/zinc/78/65/07/1079786507.db2.gz XCTAHJVQEDFGCY-DAWZGUTISA-N 0 3 320.477 2.243 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1cccc(C)c1 ZINC001484768099 1079792530 /nfs/dbraw/zinc/79/25/30/1079792530.db2.gz FTKOHYBRUVAUAP-UHFFFAOYSA-N 0 3 302.418 2.177 20 30 DEEDHN C#CCC[C@@H](O)CNCc1ccc(C(F)(F)F)nc1N(C)C ZINC001651499620 1079815293 /nfs/dbraw/zinc/81/52/93/1079815293.db2.gz GWOAWMGWIRYVMG-GFCCVEGCSA-N 0 3 315.339 2.030 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001484831933 1079820295 /nfs/dbraw/zinc/82/02/95/1079820295.db2.gz GSFFEWVEHFANBR-WMZOPIPTSA-N 0 3 308.466 2.169 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@](CO)(NCC#CC)C2)CCCC1 ZINC001484856065 1079825463 /nfs/dbraw/zinc/82/54/63/1079825463.db2.gz MYPOGGNOLNCXLV-LJQANCHMSA-N 0 3 318.461 2.089 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(C)(NCc2nnc(C)[nH]2)CC1 ZINC001484921806 1079862974 /nfs/dbraw/zinc/86/29/74/1079862974.db2.gz FBWMABAZRAHFIF-AWEZNQCLSA-N 0 3 319.453 2.186 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](OCC)C(C)C)C(C)(C)C1 ZINC001484934334 1079865960 /nfs/dbraw/zinc/86/59/60/1079865960.db2.gz IAPCVVWUNWZYLU-HOTGVXAUSA-N 0 3 308.466 2.288 20 30 DEEDHN CCCC1(C(=O)NCC[C@H]2CCN(CC#CCOC)C2)CCC1 ZINC001481448641 1079870041 /nfs/dbraw/zinc/87/00/41/1079870041.db2.gz ZVKNXKKKKZVBFD-KRWDZBQOSA-N 0 3 320.477 2.435 20 30 DEEDHN CCCC1(C(=O)NCC[C@@H]2CCN(CC#CCOC)C2)CCC1 ZINC001481448643 1079870089 /nfs/dbraw/zinc/87/00/89/1079870089.db2.gz ZVKNXKKKKZVBFD-QGZVFWFLSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC001653274396 1079923254 /nfs/dbraw/zinc/92/32/54/1079923254.db2.gz DFQADFRUINRCIU-MRXNPFEDSA-N 0 3 324.465 2.466 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](C)[C@H]2C)c1 ZINC001653438626 1079928018 /nfs/dbraw/zinc/92/80/18/1079928018.db2.gz VRMDNJUFWSCQLY-UONOGXRCSA-N 0 3 313.401 2.436 20 30 DEEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001481486511 1079943352 /nfs/dbraw/zinc/94/33/52/1079943352.db2.gz QIUCPHIXNXQNFI-FQEVSTJZSA-N 0 3 320.436 2.232 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnn(CCC)c1C ZINC001485072779 1079957940 /nfs/dbraw/zinc/95/79/40/1079957940.db2.gz IBUPZULZYNZESH-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001485094282 1079976698 /nfs/dbraw/zinc/97/66/98/1079976698.db2.gz QJOXFPIWQNCFBH-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)N1CCC(C)CC1 ZINC001268053703 1079976928 /nfs/dbraw/zinc/97/69/28/1079976928.db2.gz HFUCCTQNOHKHLB-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC(CN(C)CCF)CC2)cc1 ZINC001481516862 1079984321 /nfs/dbraw/zinc/98/43/21/1079984321.db2.gz OSGUQZRGXQJORD-UHFFFAOYSA-N 0 3 302.393 2.421 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])ccc1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001655812536 1080020063 /nfs/dbraw/zinc/02/00/63/1080020063.db2.gz ROJGXFWSIXIBJF-MRXNPFEDSA-N 0 3 324.340 2.323 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001656080395 1080034840 /nfs/dbraw/zinc/03/48/40/1080034840.db2.gz FIKGFTAOHYVPON-AWEZNQCLSA-N 0 3 320.437 2.018 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cccc(OC)n1 ZINC001485182355 1080042356 /nfs/dbraw/zinc/04/23/56/1080042356.db2.gz TXIZPCVYXCQNNI-CABCVRRESA-N 0 3 317.433 2.267 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2cncn2C)CC(C)C)C1 ZINC001268113134 1080082701 /nfs/dbraw/zinc/08/27/01/1080082701.db2.gz ZRSLDORJZBVBDL-OAHLLOKOSA-N 0 3 318.465 2.397 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CC(F)(F)C(F)F)C[C@@H]2C1 ZINC001656832473 1080127749 /nfs/dbraw/zinc/12/77/49/1080127749.db2.gz DHBLPGZRZLOQTE-NEPJUHHUSA-N 0 3 320.330 2.081 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCCCN(C(=O)CC(C)(C)C)C1 ZINC001656881576 1080132544 /nfs/dbraw/zinc/13/25/44/1080132544.db2.gz SSHPCDNHUKUFBS-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CC(=O)N(C)C)CC(C)(C)C1 ZINC001657102593 1080156148 /nfs/dbraw/zinc/15/61/48/1080156148.db2.gz WOPYCHFOFKJCKF-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CCO[C@@H](CN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 ZINC001268194348 1080183325 /nfs/dbraw/zinc/18/33/25/1080183325.db2.gz GSGMAYNAQVYRJL-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cccc2c1CCC2 ZINC001485391739 1080189219 /nfs/dbraw/zinc/18/92/19/1080189219.db2.gz ZMUVNVQJOOJNSV-HNNXBMFYSA-N 0 3 316.445 2.428 20 30 DEEDHN C=CCC[C@@H](O)CN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC001658859913 1080221840 /nfs/dbraw/zinc/22/18/40/1080221840.db2.gz FSMORDVWMYHMCA-CRAIPNDOSA-N 0 3 321.417 2.390 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001268243173 1080223361 /nfs/dbraw/zinc/22/33/61/1080223361.db2.gz SVHVZOZXALNSCA-CQSZACIVSA-N 0 3 304.438 2.352 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](CCCC)CN[C@H]1CCN(C)C1=O ZINC001485468811 1080224291 /nfs/dbraw/zinc/22/42/91/1080224291.db2.gz OKHQLUFIHYBAMA-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cccc2[nH]ccc21 ZINC001268250105 1080231678 /nfs/dbraw/zinc/23/16/78/1080231678.db2.gz HZGOPJZLNXAFCE-UHFFFAOYSA-N 0 3 315.417 2.374 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1sccc1Cl ZINC001660150466 1080276374 /nfs/dbraw/zinc/27/63/74/1080276374.db2.gz SRZLQUXSJATZLX-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001485520021 1080277267 /nfs/dbraw/zinc/27/72/67/1080277267.db2.gz YOWUGHCWRZAZOP-HUUCEWRRSA-N 0 3 304.438 2.155 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001481672021 1080282314 /nfs/dbraw/zinc/28/23/14/1080282314.db2.gz MNYSYPKDEDZWCY-XYJFISCASA-N 0 3 306.450 2.179 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001485539356 1080285957 /nfs/dbraw/zinc/28/59/57/1080285957.db2.gz OBIWGAREESYLIM-CABCVRRESA-N 0 3 316.420 2.464 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1OC ZINC001481682622 1080292609 /nfs/dbraw/zinc/29/26/09/1080292609.db2.gz GZSZPMHTYPKNHF-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)N(C)C ZINC001660440043 1080333161 /nfs/dbraw/zinc/33/31/61/1080333161.db2.gz MRVUDMPMVVYNBO-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001485625146 1080338748 /nfs/dbraw/zinc/33/87/48/1080338748.db2.gz BCJFNDYQPYWVET-DSLXNQLJSA-N 0 3 310.441 2.498 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc2oc(C)nc2c1)C1CC1 ZINC001660695185 1080381629 /nfs/dbraw/zinc/38/16/29/1080381629.db2.gz DNQZSJXYIGDEQV-UHFFFAOYSA-N 0 3 311.385 2.354 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1cccc(F)c1F ZINC001485714997 1080386326 /nfs/dbraw/zinc/38/63/26/1080386326.db2.gz QOUBUKIAMAEWJF-VXGBXAGGSA-N 0 3 309.360 2.499 20 30 DEEDHN CCc1nc(C)c(CNCCC[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001485722786 1080392073 /nfs/dbraw/zinc/39/20/73/1080392073.db2.gz QHCDYLKTRURQCQ-CYBMUJFWSA-N 0 3 317.433 2.333 20 30 DEEDHN COC[C@H](C)N1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001660859277 1080409839 /nfs/dbraw/zinc/40/98/39/1080409839.db2.gz IITKDDCIAMRVHV-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2ccon2)CC1 ZINC001661083502 1080440143 /nfs/dbraw/zinc/44/01/43/1080440143.db2.gz PWQMJZAEYGBJOI-UHFFFAOYSA-N 0 3 305.422 2.496 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001661090037 1080440366 /nfs/dbraw/zinc/44/03/66/1080440366.db2.gz LETXBOTUWPRVKS-UHFFFAOYSA-N 0 3 320.437 2.316 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CN(C)Cc2ocnc2C)C1 ZINC001661206591 1080456299 /nfs/dbraw/zinc/45/62/99/1080456299.db2.gz HREHBNWBHIVMRY-MRXNPFEDSA-N 0 3 317.433 2.457 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@@H](C)SC ZINC001268437420 1080466615 /nfs/dbraw/zinc/46/66/15/1080466615.db2.gz SWRBRFOSIZVCSR-GFCCVEGCSA-N 0 3 323.437 2.387 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001661460751 1080483970 /nfs/dbraw/zinc/48/39/70/1080483970.db2.gz XMFDBGLNVHBVED-HDJSIYSDSA-N 0 3 302.422 2.124 20 30 DEEDHN Cc1occc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001661565859 1080493995 /nfs/dbraw/zinc/49/39/95/1080493995.db2.gz RAQBHQWYKLUPJF-CALCHBBNSA-N 0 3 308.381 2.490 20 30 DEEDHN COc1ccc(CNCCNC(=O)/C=C/C(C)(C)C)cc1C#N ZINC001124882781 1080509802 /nfs/dbraw/zinc/50/98/02/1080509802.db2.gz JAWPGPWSNAJGKC-BQYQJAHWSA-N 0 3 315.417 2.375 20 30 DEEDHN C[C@@H](CNC(=O)CSCC#N)NCc1cc2ccccc2o1 ZINC001662170002 1080576822 /nfs/dbraw/zinc/57/68/22/1080576822.db2.gz XZHBRCQGHHVLPE-LBPRGKRZSA-N 0 3 317.414 2.284 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1F ZINC001662368523 1080602900 /nfs/dbraw/zinc/60/29/00/1080602900.db2.gz ZVIGILXYALWZGY-HUUCEWRRSA-N 0 3 320.408 2.063 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@](C)(CNCc1ccnn1C)C1CC1 ZINC001481931133 1080620578 /nfs/dbraw/zinc/62/05/78/1080620578.db2.gz QYRIOZBUVNHVBN-SFHVURJKSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CC(OC)C1)C1CC1 ZINC001481932319 1080620740 /nfs/dbraw/zinc/62/07/40/1080620740.db2.gz QMVQABWONGHENS-HGMXIMQMSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cnn(C)c2)CCCC[C@@H]1C ZINC001481954465 1080645741 /nfs/dbraw/zinc/64/57/41/1080645741.db2.gz MJHHRUFEBKIMSA-LRDDRELGSA-N 0 3 324.856 2.441 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](CCNCc2ccc(F)cn2)C1 ZINC001481971903 1080661059 /nfs/dbraw/zinc/66/10/59/1080661059.db2.gz JIXYFPUBNLFVIW-ZIAGYGMSSA-N 0 3 318.396 2.099 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001662878652 1080671452 /nfs/dbraw/zinc/67/14/52/1080671452.db2.gz SRCUKJKLSLKZHR-ROUUACIJSA-N 0 3 314.429 2.320 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)N[C@H](C)c2cnccn2)cc1 ZINC001662955043 1080679990 /nfs/dbraw/zinc/67/99/90/1080679990.db2.gz WTIDTUUVFGHILW-LSDHHAIUSA-N 0 3 322.412 2.317 20 30 DEEDHN C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2n[n-]nc21 ZINC001663066358 1080695253 /nfs/dbraw/zinc/69/52/53/1080695253.db2.gz ICESGKBIVLSWGZ-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2n[n-]nc21 ZINC001663066358 1080695257 /nfs/dbraw/zinc/69/52/57/1080695257.db2.gz ICESGKBIVLSWGZ-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(Cl)cn2C)cc1 ZINC001482031936 1080712849 /nfs/dbraw/zinc/71/28/49/1080712849.db2.gz GSOOPDPZIARWAU-UHFFFAOYSA-N 0 3 315.804 2.331 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001663184805 1080716889 /nfs/dbraw/zinc/71/68/89/1080716889.db2.gz CRGHSOLOXBAHMV-CQSZACIVSA-N 0 3 306.381 2.001 20 30 DEEDHN C[C@@H](C(=O)NC/C=C/CNCc1cccc(C#N)c1)n1cccc1 ZINC001268528117 1080721974 /nfs/dbraw/zinc/72/19/74/1080721974.db2.gz DUIUDSRWAFVUQC-KZSQQDEKSA-N 0 3 322.412 2.383 20 30 DEEDHN CC/C=C(/C)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107312317 1080722231 /nfs/dbraw/zinc/72/22/31/1080722231.db2.gz UUHNCBCNKNWARQ-BLUWKUTNSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001663543221 1080771720 /nfs/dbraw/zinc/77/17/20/1080771720.db2.gz TXOSOGBVOBIDJO-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001663553470 1080774757 /nfs/dbraw/zinc/77/47/57/1080774757.db2.gz SWDADGPIRBHUGA-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001268634697 1080907673 /nfs/dbraw/zinc/90/76/73/1080907673.db2.gz YDOKBXARHTZCGP-WHXUGTBJSA-N 0 3 310.441 2.467 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001268646265 1080914848 /nfs/dbraw/zinc/91/48/48/1080914848.db2.gz RXUPQGVHKQYADC-GHMZBOCLSA-N 0 3 314.838 2.034 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268683269 1080933299 /nfs/dbraw/zinc/93/32/99/1080933299.db2.gz UDYNXYYUNHEVJR-KBPBESRZSA-N 0 3 322.449 2.271 20 30 DEEDHN COc1ccc(CNC[C@H](C)NC(=O)C#CC(C)C)cc1F ZINC001268685932 1080935126 /nfs/dbraw/zinc/93/51/26/1080935126.db2.gz NJEGJEWMQBCZPD-ZDUSSCGKSA-N 0 3 306.381 2.088 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@H]2CCCCO2)C1 ZINC001664661946 1080938030 /nfs/dbraw/zinc/93/80/30/1080938030.db2.gz JZLLXDKDSACKCW-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(C#C)nc2)C1 ZINC001664686378 1080943477 /nfs/dbraw/zinc/94/34/77/1080943477.db2.gz KDPNOGXCZZWRGV-SFHVURJKSA-N 0 3 309.413 2.013 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001664730586 1080950401 /nfs/dbraw/zinc/95/04/01/1080950401.db2.gz GOZMTYPVZCOJHF-HNNXBMFYSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(Cc2ccnn2C)C1 ZINC001664731062 1080951042 /nfs/dbraw/zinc/95/10/42/1080951042.db2.gz LLNRYLQQUWTTRM-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001268729505 1080954022 /nfs/dbraw/zinc/95/40/22/1080954022.db2.gz NUDHOALFMKLQNK-KDOFPFPSSA-N 0 3 322.424 2.398 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CN(C)Cc2c(C)noc2C)C1 ZINC001664802672 1080963355 /nfs/dbraw/zinc/96/33/55/1080963355.db2.gz VAIFNZUFRFHJSS-MRXNPFEDSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001268740899 1080964716 /nfs/dbraw/zinc/96/47/16/1080964716.db2.gz WTEGOEYPCHCGGI-JCGIZDLHSA-N 0 3 315.461 2.479 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001665328156 1081014119 /nfs/dbraw/zinc/01/41/19/1081014119.db2.gz CJCDSFZNOVAVCC-CRAIPNDOSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ncccc1OCCC ZINC001673466707 1081037595 /nfs/dbraw/zinc/03/75/95/1081037595.db2.gz BZWYAOFDIBFKAI-UHFFFAOYSA-N 0 3 317.433 2.288 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001665601749 1081044041 /nfs/dbraw/zinc/04/40/41/1081044041.db2.gz XNTNTDCBTRBNIS-CHWSQXEVSA-N 0 3 323.462 2.448 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001665632490 1081053460 /nfs/dbraw/zinc/05/34/60/1081053460.db2.gz WAYQGTQLWWIFTO-HUUCEWRRSA-N 0 3 304.438 2.115 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]ccc2c1 ZINC001268952010 1081056288 /nfs/dbraw/zinc/05/62/88/1081056288.db2.gz MTJGIQPEYUEIQK-HOTGVXAUSA-N 0 3 310.401 2.379 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCOc2ccc(F)cc2)C1 ZINC001665660243 1081059131 /nfs/dbraw/zinc/05/91/31/1081059131.db2.gz YWIHASSSLAZOSF-INIZCTEOSA-N 0 3 318.392 2.151 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)SC)NCC#Cc1ccc(F)cc1 ZINC001665758535 1081077407 /nfs/dbraw/zinc/07/74/07/1081077407.db2.gz ALWLHNOBSUFBSY-CJNGLKHVSA-N 0 3 322.449 2.413 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1ccnn1C)C1CC1 ZINC001269117290 1081123287 /nfs/dbraw/zinc/12/32/87/1081123287.db2.gz YXZHVTPTINYNCS-RDJZCZTQSA-N 0 3 304.438 2.007 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)NCCC1CCN(CC#CCOC)CC1 ZINC001666379378 1081148804 /nfs/dbraw/zinc/14/88/04/1081148804.db2.gz LWJBOOZCTZPQDG-QZTJIDSGSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001269212185 1081167217 /nfs/dbraw/zinc/16/72/17/1081167217.db2.gz ZRNXAHURUPWBNT-AEFFLSMTSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001269254637 1081185626 /nfs/dbraw/zinc/18/56/26/1081185626.db2.gz CWOUWDINGONMEU-HNNXBMFYSA-N 0 3 312.417 2.344 20 30 DEEDHN CS[C@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666860491 1081187467 /nfs/dbraw/zinc/18/74/67/1081187467.db2.gz WVZFUQPCAMLDJP-LSDHHAIUSA-N 0 3 304.459 2.226 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2ccn(CC)c2C)C1 ZINC001269268306 1081191250 /nfs/dbraw/zinc/19/12/50/1081191250.db2.gz KRFPWMCVNVNQEC-INIZCTEOSA-N 0 3 319.449 2.165 20 30 DEEDHN Cc1cnccc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666893970 1081191390 /nfs/dbraw/zinc/19/13/90/1081191390.db2.gz QFYCJWFTTGHJPF-KRWDZBQOSA-N 0 3 321.424 2.492 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@@H]2OCC)CCCC1 ZINC001482211699 1081191711 /nfs/dbraw/zinc/19/17/11/1081191711.db2.gz MZFRHSOBEVIUFO-OLZOCXBDSA-N 0 3 300.830 2.183 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1cccc(Cl)c1 ZINC001667038022 1081204407 /nfs/dbraw/zinc/20/44/07/1081204407.db2.gz CFKUREQQENXVLT-ZDUSSCGKSA-N 0 3 308.809 2.040 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001269331606 1081215620 /nfs/dbraw/zinc/21/56/20/1081215620.db2.gz KSDDYLQSEZPABP-CABCVRRESA-N 0 3 303.406 2.006 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001269332305 1081216524 /nfs/dbraw/zinc/21/65/24/1081216524.db2.gz PTDBKUMKWQEZKT-HUUCEWRRSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001269356550 1081226299 /nfs/dbraw/zinc/22/62/99/1081226299.db2.gz SBFMRMVQODXSDM-ZFWWWQNUSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ncccn1 ZINC001667296566 1081234546 /nfs/dbraw/zinc/23/45/46/1081234546.db2.gz PAGANYKJCDLMMH-CYBMUJFWSA-N 0 3 308.813 2.204 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2cncn2C)CCCC1 ZINC001482220525 1081255532 /nfs/dbraw/zinc/25/55/32/1081255532.db2.gz BZAQWRUQQBJBOV-UHFFFAOYSA-N 0 3 304.438 2.295 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2(NCc3ccc(F)cc3)CC2)c1 ZINC001269489108 1081263689 /nfs/dbraw/zinc/26/36/89/1081263689.db2.gz HGYPCILNIIXZDW-UHFFFAOYSA-N 0 3 323.371 2.254 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001667622940 1081267921 /nfs/dbraw/zinc/26/79/21/1081267921.db2.gz NFLNWEPBBIKNAF-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCOC[C@H]2C)CCCC1 ZINC001482229829 1081282396 /nfs/dbraw/zinc/28/23/96/1081282396.db2.gz MFTQWTDMRMEIPD-TZMCWYRMSA-N 0 3 314.857 2.430 20 30 DEEDHN CC#CCCCC(=O)NC1(CNCc2ccnn2C)CCCC1 ZINC001269572339 1081294502 /nfs/dbraw/zinc/29/45/02/1081294502.db2.gz PZILDPUNROLXNS-UHFFFAOYSA-N 0 3 316.449 2.132 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)C1=CCCC1 ZINC001668021544 1081307105 /nfs/dbraw/zinc/30/71/05/1081307105.db2.gz BWGILNSMCRIYRP-NSHDSACASA-N 0 3 301.228 2.490 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ccn(CC)n1 ZINC001668162339 1081322659 /nfs/dbraw/zinc/32/26/59/1081322659.db2.gz DMVQSPUENYDMPT-CQSZACIVSA-N 0 3 306.454 2.490 20 30 DEEDHN C=CCC[NH2+]C[C@@]1(NC(=O)c2cnc[n-]c2=O)CCCC[C@H]1C ZINC001269663268 1081325789 /nfs/dbraw/zinc/32/57/89/1081325789.db2.gz KUIDDHGKPUDSBW-DYVFJYSZSA-N 0 3 318.421 2.027 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001269797704 1081368136 /nfs/dbraw/zinc/36/81/36/1081368136.db2.gz ASUKWQWJRNFDKZ-CYBMUJFWSA-N 0 3 310.829 2.005 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)[C@@H](C)COC)CC2 ZINC001482243644 1081371277 /nfs/dbraw/zinc/37/12/77/1081371277.db2.gz ILYLSCJUOJXDAA-JKSUJKDBSA-N 0 3 308.466 2.406 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1coc(C2CCCCC2)n1 ZINC001668656734 1081377161 /nfs/dbraw/zinc/37/71/61/1081377161.db2.gz KYWGGYHGFCQOED-UHFFFAOYSA-N 0 3 303.406 2.407 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C1CCC1 ZINC001482249344 1081391753 /nfs/dbraw/zinc/39/17/53/1081391753.db2.gz WTYHECKWNXWZSL-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2csc(C)n2)C[C@@H]1C ZINC001269917186 1081398719 /nfs/dbraw/zinc/39/87/19/1081398719.db2.gz NUYANQVLZGXYEP-GXTWGEPZSA-N 0 3 323.462 2.123 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)C1CC=CC1 ZINC001669264306 1081441974 /nfs/dbraw/zinc/44/19/74/1081441974.db2.gz RXZSSPOAEOEJCL-CYBMUJFWSA-N 0 3 313.401 2.127 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N[C@H](C)CCC ZINC001270113686 1081453871 /nfs/dbraw/zinc/45/38/71/1081453871.db2.gz UBJIRRGRIFHULI-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001270128583 1081456543 /nfs/dbraw/zinc/45/65/43/1081456543.db2.gz JHHUCKDUOAHVLC-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(CC)CC)C1 ZINC001669662289 1081462792 /nfs/dbraw/zinc/46/27/92/1081462792.db2.gz SCMIGDHZKOAKOY-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001270211502 1081475622 /nfs/dbraw/zinc/47/56/22/1081475622.db2.gz XAVZOPRQNGNPKE-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN(C(=O)CCCF)C1CCN(CCOC(C)C)CC1 ZINC001270332398 1081504081 /nfs/dbraw/zinc/50/40/81/1081504081.db2.gz 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CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCOCC(C)C)C1 ZINC001266888362 1082431598 /nfs/dbraw/zinc/43/15/98/1082431598.db2.gz CYTDBWDZDSZPCX-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2CCC2)C1 ZINC001266891461 1082434269 /nfs/dbraw/zinc/43/42/69/1082434269.db2.gz JPZHNEVSLDIZIT-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CC)CCOCC2)C1 ZINC001266897071 1082438287 /nfs/dbraw/zinc/43/82/87/1082438287.db2.gz KYQDITJVSWCUOW-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)c1cc(F)c[nH]1 ZINC001482854195 1082531467 /nfs/dbraw/zinc/53/14/67/1082531467.db2.gz YOMKWNBDCLODKP-LBPRGKRZSA-N 0 3 314.364 2.324 20 30 DEEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)c1cc(F)c[nH]1 ZINC001482854194 1082531527 /nfs/dbraw/zinc/53/15/27/1082531527.db2.gz YOMKWNBDCLODKP-GFCCVEGCSA-N 0 3 314.364 2.324 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC001482954094 1082575881 /nfs/dbraw/zinc/57/58/81/1082575881.db2.gz 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C=CCCCC(=O)N1CC(N(CC)C(=O)C(C)(C)N(C)CC)C1 ZINC001079997226 1088542015 /nfs/dbraw/zinc/54/20/15/1088542015.db2.gz LQXDFRVZSSLJKF-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC(F)F)cc1 ZINC001114578399 1088555245 /nfs/dbraw/zinc/55/52/45/1088555245.db2.gz AMMWRMKTUSCXMQ-HALDLXJZSA-N 0 3 319.355 2.150 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@]2(C)CC=C(C)CC2)CCC1 ZINC001273200402 1088564112 /nfs/dbraw/zinc/56/41/12/1088564112.db2.gz ARZUSMCEIDUGOE-GOSISDBHSA-N 0 3 318.461 2.401 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(F)c2OC)C1 ZINC001080249782 1088737659 /nfs/dbraw/zinc/73/76/59/1088737659.db2.gz AHAAMZPHRFQVGM-BXUZGUMPSA-N 0 3 322.355 2.047 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC000958082252 1088780942 /nfs/dbraw/zinc/78/09/42/1088780942.db2.gz VZABVGABYMSLEX-JKSUJKDBSA-N 0 3 314.385 2.031 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2sccc2Cl)[C@H](O)C1 ZINC000958082509 1088781808 /nfs/dbraw/zinc/78/18/08/1088781808.db2.gz YDGCURWNNYADJA-ZYHUDNBSSA-N 0 3 314.838 2.000 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC000958125968 1088805831 /nfs/dbraw/zinc/80/58/31/1088805831.db2.gz FNFJNWVVMKEDCJ-YOEHRIQHSA-N 0 3 302.418 2.019 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001276311695 1088953775 /nfs/dbraw/zinc/95/37/75/1088953775.db2.gz NNRJYRPTNNATQV-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C)cc2Cl)C1 ZINC000958416841 1088976310 /nfs/dbraw/zinc/97/63/10/1088976310.db2.gz CICNQFAOSZQPNA-XJKSGUPXSA-N 0 3 322.836 2.247 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC001273202076 1089013525 /nfs/dbraw/zinc/01/35/25/1089013525.db2.gz PYPJOEOHZXONKY-HOTGVXAUSA-N 0 3 320.477 2.337 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc3ccccc3c2)[C@H](O)C1 ZINC000958613068 1089096866 /nfs/dbraw/zinc/09/68/66/1089096866.db2.gz JKQGAYQTJNJURV-RTBURBONSA-N 0 3 324.424 2.438 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccccc2CC(C)C)C1 ZINC000958729241 1089153253 /nfs/dbraw/zinc/15/32/53/1089153253.db2.gz SVCIITLRVKIDQO-AEFFLSMTSA-N 0 3 316.445 2.094 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001080749509 1089169702 /nfs/dbraw/zinc/16/97/02/1089169702.db2.gz QOKMYAHLBQNDBR-JKIFEVAISA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1c1ccccc1 ZINC001081176844 1089366557 /nfs/dbraw/zinc/36/65/57/1089366557.db2.gz NLMMXFXRLUUMAZ-RBUKOAKNSA-N 0 3 321.424 2.165 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001081495632 1089415593 /nfs/dbraw/zinc/41/55/93/1089415593.db2.gz VDMJOZBFCWIERD-ZIAGYGMSSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@H](OC)C1 ZINC001081985560 1089617090 /nfs/dbraw/zinc/61/70/90/1089617090.db2.gz WRNUVYZNHTYLLL-BFHYXJOUSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H](OC)C1 ZINC001081994038 1089624112 /nfs/dbraw/zinc/62/41/12/1089624112.db2.gz PXJDXFOAZQXKGV-GDBMZVCRSA-N 0 3 321.421 2.193 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@H](OC)C1 ZINC001082091216 1089714895 /nfs/dbraw/zinc/71/48/95/1089714895.db2.gz GBZPGBRTESFNJV-HZPDHXFCSA-N 0 3 322.836 2.274 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)cccc2C)[C@H](OC)C1 ZINC001082164676 1089752160 /nfs/dbraw/zinc/75/21/60/1089752160.db2.gz AAAFBVQHHQILGL-HZPDHXFCSA-N 0 3 302.418 2.309 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CN(CC)CC ZINC001082261188 1089814504 /nfs/dbraw/zinc/81/45/04/1089814504.db2.gz DNCVJZSXHLOFDQ-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN CS[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001082430020 1089940780 /nfs/dbraw/zinc/94/07/80/1089940780.db2.gz RUXGUTPUPSYWQT-JTNHKYCSSA-N 0 3 323.487 2.308 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CC(C)(C)C3CC3)[C@H]2C1 ZINC001083074438 1090144511 /nfs/dbraw/zinc/14/45/11/1090144511.db2.gz VQDVPQMDKHMYHA-JKSUJKDBSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H]3CCCC34CC4)[C@H]2C1 ZINC001083120534 1090157780 /nfs/dbraw/zinc/15/77/80/1090157780.db2.gz RNRHIBCQNKYLPP-OWCLPIDISA-N 0 3 304.434 2.054 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)[C@H]2C1 ZINC001083151449 1090167380 /nfs/dbraw/zinc/16/73/80/1090167380.db2.gz ZKSDZJYLKWXLKZ-FLXSYLCISA-N 0 3 318.461 2.300 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H]3CCCC3(C)C)[C@H]2C1 ZINC001083169044 1090172703 /nfs/dbraw/zinc/17/27/03/1090172703.db2.gz ZUXFNMFNPASJSF-OWCLPIDISA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001084081083 1090194186 /nfs/dbraw/zinc/19/41/86/1090194186.db2.gz IEPDMTDJNIWDRK-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cccc(OC)n3)C2)C1=O ZINC001273214454 1090218757 /nfs/dbraw/zinc/21/87/57/1090218757.db2.gz QQKDHLNVAVYWCJ-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3CC)[C@@H]2C1 ZINC001084356069 1090275306 /nfs/dbraw/zinc/27/53/06/1090275306.db2.gz YAIPGANAKGZEQS-BZUAXINKSA-N 0 3 316.449 2.115 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccn(C(C)(C)C)n3)[C@@H]2C1 ZINC001084384239 1090282531 /nfs/dbraw/zinc/28/25/31/1090282531.db2.gz VFRBGALSNKYPHH-GDBMZVCRSA-N 0 3 316.449 2.361 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccnc3C3CC3)[C@@H]2C1 ZINC001084485979 1090305011 /nfs/dbraw/zinc/30/50/11/1090305011.db2.gz BSCHLUMKYTVVNH-NVXWUHKLSA-N 0 3 309.413 2.129 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)[C@@H]2C1 ZINC001084489302 1090306509 /nfs/dbraw/zinc/30/65/09/1090306509.db2.gz HFFMPNXIXUQPEC-SJLPKXTDSA-N 0 3 309.413 2.129 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4c3O[C@H](C)C4)[C@@H]2C1 ZINC001084528323 1090323408 /nfs/dbraw/zinc/32/34/08/1090323408.db2.gz OWVZPFKHWYHCLU-QGPMSJSTSA-N 0 3 324.424 2.180 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001084681169 1090388832 /nfs/dbraw/zinc/38/88/32/1090388832.db2.gz VJAWGCFFIUVVQR-IUODEOHRSA-N 0 3 305.809 2.457 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C4CC4)no3)[C@@H]2C1 ZINC001084694268 1090393534 /nfs/dbraw/zinc/39/35/34/1090393534.db2.gz UVLNYRKQRPUVKA-UKRRQHHQSA-N 0 3 301.390 2.274 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)o3)[C@@H]2C1 ZINC001084707498 1090404083 /nfs/dbraw/zinc/40/40/83/1090404083.db2.gz OTDOFDMDFUXMFJ-BZUAXINKSA-N 0 3 300.402 2.248 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1ccc(C)cn1)CC2 ZINC001273228974 1090418169 /nfs/dbraw/zinc/41/81/69/1090418169.db2.gz NAIWBLHDCKWCPF-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c4ccccc4nn3C)[C@@H]2C1 ZINC001084755636 1090422688 /nfs/dbraw/zinc/42/26/88/1090422688.db2.gz HEXLIGOQHHRPLL-RHSMWYFYSA-N 0 3 324.428 2.296 20 30 DEEDHN C=C[C@@H](C(=O)N1C[C@H]2CCN(CCOC)C[C@H]21)c1ccccc1 ZINC001084847124 1090472959 /nfs/dbraw/zinc/47/29/59/1090472959.db2.gz KZVGEZNIYUNNRD-KZNAEPCWSA-N 0 3 314.429 2.135 20 30 DEEDHN CC#CCCCC(=O)N1CCO[C@@H](CNCc2ccsc2)C1 ZINC001273302124 1090812602 /nfs/dbraw/zinc/81/26/02/1090812602.db2.gz ZZEHXHQZVAUJQD-INIZCTEOSA-N 0 3 320.458 2.259 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cc(O)cc(O)c3)C2)C1=O ZINC001273316012 1091017446 /nfs/dbraw/zinc/01/74/46/1091017446.db2.gz KFMYXUNUBOUGFQ-GOSISDBHSA-N 0 3 316.401 2.098 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2CCC(CCCC)CC2)CCO1 ZINC001273351353 1091076153 /nfs/dbraw/zinc/07/61/53/1091076153.db2.gz PRKTUICNEMXSBZ-DAWZGUTISA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CC[C@@]2(CC[N@@H+](Cc3cccc(CC=C)c3[O-])C2)C1=O ZINC001273360131 1091089232 /nfs/dbraw/zinc/08/92/32/1091089232.db2.gz HAHPGBAUFXMJOY-HXUWFJFHSA-N 0 3 324.424 2.178 20 30 DEEDHN C#CCN1CC[C@@]2(CC[N@H+](Cc3cccc(CC=C)c3[O-])C2)C1=O ZINC001273360131 1091089239 /nfs/dbraw/zinc/08/92/39/1091089239.db2.gz HAHPGBAUFXMJOY-HXUWFJFHSA-N 0 3 324.424 2.178 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cncc([O-])c3)CC2)C1=O ZINC001274284413 1091169216 /nfs/dbraw/zinc/16/92/16/1091169216.db2.gz WRYJYMHPDYWYLP-SFHVURJKSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@H+](Cc3cncc([O-])c3)CC2)C1=O ZINC001274284413 1091169220 /nfs/dbraw/zinc/16/92/20/1091169220.db2.gz WRYJYMHPDYWYLP-SFHVURJKSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cncc(O)c3)CC2)C1=O ZINC001274284413 1091169230 /nfs/dbraw/zinc/16/92/30/1091169230.db2.gz WRYJYMHPDYWYLP-SFHVURJKSA-N 0 3 315.417 2.178 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccn2nccc2c1 ZINC001274320716 1091185105 /nfs/dbraw/zinc/18/51/05/1091185105.db2.gz FDFPERYZDIZWQY-QZTJIDSGSA-N 0 3 324.428 2.476 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(NCc2cnc(C)cn2)CC1 ZINC001274320452 1091185203 /nfs/dbraw/zinc/18/52/03/1091185203.db2.gz VTCQKEDCXVRMIB-UHFFFAOYSA-N 0 3 302.422 2.222 20 30 DEEDHN CC1(C)CN(CCOCC2CC2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001274434853 1091242951 /nfs/dbraw/zinc/24/29/51/1091242951.db2.gz GWEAWQIYXPZHFH-KRWDZBQOSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccccc1-c1cn[nH]c1 ZINC001273412706 1091275348 /nfs/dbraw/zinc/27/53/48/1091275348.db2.gz JSFGNEIKIBZORU-UHFFFAOYSA-N 0 3 310.401 2.152 20 30 DEEDHN C#CCN1c2ccccc2[C@]2(CCN(Cc3cnsc3)C2)C1=O ZINC001274516933 1091280009 /nfs/dbraw/zinc/28/00/09/1091280009.db2.gz WDTOQVGSBONBPZ-GOSISDBHSA-N 0 3 323.421 2.267 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1ccc2ccccc2c1 ZINC001274527102 1091287485 /nfs/dbraw/zinc/28/74/85/1091287485.db2.gz UORKBGGFLJTNKK-PLNGDYQASA-N 0 3 322.408 2.365 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cnc(C)[nH]1 ZINC001274576033 1091304225 /nfs/dbraw/zinc/30/42/25/1091304225.db2.gz JXPJRILKILQVQB-KRWDZBQOSA-N 0 3 302.422 2.251 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3nc4ccccc4o3)C2)C1=O ZINC001274612760 1091325317 /nfs/dbraw/zinc/32/53/17/1091325317.db2.gz IBZRHUJDGACLNK-GOSISDBHSA-N 0 3 311.385 2.438 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(CCOCC)CCC2)C[C@@H]1C ZINC001274623855 1091335871 /nfs/dbraw/zinc/33/58/71/1091335871.db2.gz NQEISVKEDLAMLV-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccccc2OC)C[C@@H]1C ZINC001274652345 1091351665 /nfs/dbraw/zinc/35/16/65/1091351665.db2.gz BSEGRTMFAGOSEG-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN CC(C)n1ccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)n1 ZINC001274944291 1091485334 /nfs/dbraw/zinc/48/53/34/1091485334.db2.gz WBNVGYXZMJYKCN-MRXNPFEDSA-N 0 3 324.428 2.224 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCCCN1C(=O)CN(C)C(C)C ZINC001280604173 1091615355 /nfs/dbraw/zinc/61/53/55/1091615355.db2.gz GTWAHJAOSCTUFY-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)c1ccc(C)o1 ZINC001276244844 1091734096 /nfs/dbraw/zinc/73/40/96/1091734096.db2.gz VVSHURPEHLRNPS-OAHLLOKOSA-N 0 3 306.406 2.116 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001273445258 1091769679 /nfs/dbraw/zinc/76/96/79/1091769679.db2.gz KNNNXPUDQJMDCD-LNLFQRSKSA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(C(C)C)n1 ZINC001275471778 1091779126 /nfs/dbraw/zinc/77/91/26/1091779126.db2.gz UMPVRWNQJNQVDU-KGLIPLIRSA-N 0 3 319.453 2.105 20 30 DEEDHN C=C(Cl)CNCCN(CC)C(=O)c1ccc2cncn2c1C ZINC001273476338 1091869804 /nfs/dbraw/zinc/86/98/04/1091869804.db2.gz KVSDRARQSKMQDM-UHFFFAOYSA-N 0 3 320.824 2.447 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(Cc1cncn1C)C2 ZINC001273491100 1091879918 /nfs/dbraw/zinc/87/99/18/1091879918.db2.gz BHQRZDOFRBJPTK-GOSISDBHSA-N 0 3 316.449 2.343 20 30 DEEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(COCCOC)C2 ZINC001273494634 1091883350 /nfs/dbraw/zinc/88/33/50/1091883350.db2.gz BWBKEKSAVMGVPM-GOSISDBHSA-N 0 3 324.465 2.420 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)CC2=CCOCC2)CC1 ZINC000948749600 1091913596 /nfs/dbraw/zinc/91/35/96/1091913596.db2.gz ZKANVRZEWJEYCT-QGZVFWFLSA-N 0 3 304.434 2.059 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](c1cccnc1)C(C)C ZINC001273571837 1091929464 /nfs/dbraw/zinc/92/94/64/1091929464.db2.gz PWLPYJRNRPMSNS-KRWDZBQOSA-N 0 3 301.434 2.235 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc(Cl)cc1OC ZINC001273576474 1091932993 /nfs/dbraw/zinc/93/29/93/1091932993.db2.gz RNEVFWPWZXYBBT-UHFFFAOYSA-N 0 3 308.809 2.424 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273606001 1091951515 /nfs/dbraw/zinc/95/15/15/1091951515.db2.gz NCBOHOKLULKQSG-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCCN(CC#CC)CC1 ZINC000948852724 1091965558 /nfs/dbraw/zinc/96/55/58/1091965558.db2.gz UZWAOAQFXYJLJM-BZSNNMDCSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000948861224 1091969499 /nfs/dbraw/zinc/96/94/99/1091969499.db2.gz LLWKLPWCOBJAKD-MRXNPFEDSA-N 0 3 316.449 2.080 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc(OC)c2F)CC1 ZINC000948876697 1091978646 /nfs/dbraw/zinc/97/86/46/1091978646.db2.gz BFXLJHHUYXTOPB-AWEZNQCLSA-N 0 3 318.392 2.394 20 30 DEEDHN C=CCN1C[C@]2(CCN(C[C@H](C)CC(F)(F)F)C2)OCC1=O ZINC001273748389 1092028031 /nfs/dbraw/zinc/02/80/31/1092028031.db2.gz ZCAZFBBFNAHPNH-TZMCWYRMSA-N 0 3 320.355 2.064 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@]1(C)CC)CCO2 ZINC000949220169 1092073186 /nfs/dbraw/zinc/07/31/86/1092073186.db2.gz BTEXUXINVDOMPS-WBVHZDCISA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3nccs3)CC2)C1 ZINC000949498173 1092167263 /nfs/dbraw/zinc/16/72/63/1092167263.db2.gz BRJSFQTWJBWDRZ-UHFFFAOYSA-N 0 3 321.446 2.026 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN(C)C(=O)CN(C)C(C)C)CCC1 ZINC001487804357 1092224046 /nfs/dbraw/zinc/22/40/46/1092224046.db2.gz OEFPEFMULOVBGE-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN CCC[C@@H](CC)C(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001280760495 1092282646 /nfs/dbraw/zinc/28/26/46/1092282646.db2.gz QLDGKIORHRRROU-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001494912652 1092298429 /nfs/dbraw/zinc/29/84/29/1092298429.db2.gz HQHOLERWLANBKK-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CC)C(=O)CN2CC[C@H](C)C2)C1 ZINC001494911080 1092299368 /nfs/dbraw/zinc/29/93/68/1092299368.db2.gz RUEQIRMTUVDWMD-ZFWWWQNUSA-N 0 3 313.873 2.004 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001488690969 1092689214 /nfs/dbraw/zinc/68/92/14/1092689214.db2.gz CIWIUHNYWAIALL-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001488738953 1092717021 /nfs/dbraw/zinc/71/70/21/1092717021.db2.gz YJOQGFSYNWJHDQ-OKILXGFUSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001488772059 1092743410 /nfs/dbraw/zinc/74/34/10/1092743410.db2.gz SNWPLPQPCWYKCR-RVKKMQEKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001489166853 1092961968 /nfs/dbraw/zinc/96/19/68/1092961968.db2.gz FXOGLHCHKLEFLM-HOTGVXAUSA-N 0 3 308.466 2.284 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001489224161 1092993361 /nfs/dbraw/zinc/99/33/61/1092993361.db2.gz ZVQOQCFEJTVRJQ-SFHVURJKSA-N 0 3 306.450 2.163 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1CC ZINC001490001764 1093184088 /nfs/dbraw/zinc/18/40/88/1093184088.db2.gz ZHOSKOLVOOAFDI-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnn(C(C)C)c1C)C1CC1 ZINC001490389506 1093340078 /nfs/dbraw/zinc/34/00/78/1093340078.db2.gz AJDHULMGCSHCHT-UHFFFAOYSA-N 0 3 316.449 2.380 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnn(CC(C)C)c1)C1CC1 ZINC001490389373 1093340767 /nfs/dbraw/zinc/34/07/67/1093340767.db2.gz FPVMYNDMDSDJSC-UHFFFAOYSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001490442551 1093360388 /nfs/dbraw/zinc/36/03/88/1093360388.db2.gz QTEJFAKERLQKAO-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCn1cc(C(=O)N[C@@H]2CCCN(CC/C=C\CC)C2)nn1 ZINC001490450386 1093365120 /nfs/dbraw/zinc/36/51/20/1093365120.db2.gz FGTSVZQDJRVSLO-IYKSTZQJSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2c[nH]cc2C)CC1 ZINC001490420846 1093371509 /nfs/dbraw/zinc/37/15/09/1093371509.db2.gz IXDTWIWIQKAGSW-UHFFFAOYSA-N 0 3 305.422 2.062 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC001490437408 1093381897 /nfs/dbraw/zinc/38/18/97/1093381897.db2.gz SSXDVFBOBSJGBK-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC/C=C/CNCc1cc(C)sc1C ZINC001274024137 1093769628 /nfs/dbraw/zinc/76/96/28/1093769628.db2.gz GKIGRRDMOOAFMR-UZYOAWRESA-N 0 3 320.458 2.165 20 30 DEEDHN N#CCCCN1CCC2(C[C@@H]2C(=O)NCCC(F)(F)F)CC1 ZINC001274040610 1093778453 /nfs/dbraw/zinc/77/84/53/1093778453.db2.gz VLWHKALYCIKMBS-GFCCVEGCSA-N 0 3 317.355 2.461 20 30 DEEDHN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2CCCCC#N ZINC001274044196 1093781195 /nfs/dbraw/zinc/78/11/95/1093781195.db2.gz ZUZRBPFKMMMBJC-WMLDXEAASA-N 0 3 305.422 2.115 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnn2ccccc12 ZINC001274102402 1093800418 /nfs/dbraw/zinc/80/04/18/1093800418.db2.gz NDAOZXYZEFZYSP-IAGOWNOFSA-N 0 3 310.401 2.086 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001351863221 1151623278 /nfs/dbraw/zinc/62/32/78/1151623278.db2.gz ZHEZYAXXLXCRPW-KFWWJZLASA-N 0 3 321.444 2.458 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cnccc1C(F)(F)F ZINC001329561302 1148921916 /nfs/dbraw/zinc/92/19/16/1148921916.db2.gz QZSXOJLLAJKQNF-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccc2c1OCCCO2 ZINC001329589780 1148929533 /nfs/dbraw/zinc/92/95/33/1148929533.db2.gz SDTXQTDGXKWUOA-ZDUSSCGKSA-N 0 3 304.390 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cccn1 ZINC001691717216 1138211399 /nfs/dbraw/zinc/21/13/99/1138211399.db2.gz GVSKKPZJKXAQQF-ZFWWWQNUSA-N 0 3 324.856 2.242 20 30 DEEDHN CC(=O)Nc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001237406265 1138614441 /nfs/dbraw/zinc/61/44/41/1138614441.db2.gz MBFKFVFICDUBDY-HNNXBMFYSA-N 0 3 302.399 2.419 20 30 DEEDHN C#CCN(C(=O)CC(C)C)C1CCN(CCOCC2CC2)CC1 ZINC001278115905 1138667552 /nfs/dbraw/zinc/66/75/52/1138667552.db2.gz YTLPJESKIRGECG-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccc(F)cc2C)C1 ZINC001278148530 1138796544 /nfs/dbraw/zinc/79/65/44/1138796544.db2.gz XMLXCKQQAKYXRS-MRXNPFEDSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001278229625 1138844632 /nfs/dbraw/zinc/84/46/32/1138844632.db2.gz AVHLSLYBUQDLQA-OCCSQVGLSA-N 0 3 323.824 2.017 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCc2cncn2C)[C@H]1C ZINC001278264709 1138864968 /nfs/dbraw/zinc/86/49/68/1138864968.db2.gz SRPYCBCEPNTRHH-PBHICJAKSA-N 0 3 316.449 2.268 20 30 DEEDHN CCc1cc(CN(CC)CCN2CCOCC2)ccc1C#N ZINC001238778333 1138874259 /nfs/dbraw/zinc/87/42/59/1138874259.db2.gz MBZFQOUKFVDNLQ-UHFFFAOYSA-N 0 3 301.434 2.275 20 30 DEEDHN C=C(C)CCC(=O)NCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001293341278 1138934301 /nfs/dbraw/zinc/93/43/01/1138934301.db2.gz FUQPQMOKGZQEAU-UHFFFAOYSA-N 0 3 323.481 2.230 20 30 DEEDHN N#Cc1cccc(NC(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC001239230868 1139000455 /nfs/dbraw/zinc/00/04/55/1139000455.db2.gz GDGPVVIIBKKYFC-QGZVFWFLSA-N 0 3 306.369 2.394 20 30 DEEDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC001278305904 1139206524 /nfs/dbraw/zinc/20/65/24/1139206524.db2.gz NJFHGIIQCPYPPU-SCAQPMJSSA-N 0 3 315.392 2.244 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cn(C)nc1C(C)C ZINC001281967576 1139221870 /nfs/dbraw/zinc/22/18/70/1139221870.db2.gz ITEFKRCQUBKLLS-AWEZNQCLSA-N 0 3 304.438 2.266 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001294804462 1139277486 /nfs/dbraw/zinc/27/74/86/1139277486.db2.gz DFPGSWKGKURIQR-KSSFIOAISA-N 0 3 323.481 2.036 20 30 DEEDHN COc1cc(-c2ccc(CN3CCN(C)CC3)cc2)ncc1C#N ZINC001240387555 1139354209 /nfs/dbraw/zinc/35/42/09/1139354209.db2.gz MIOGFVHHLHBCLW-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001295262869 1139361772 /nfs/dbraw/zinc/36/17/72/1139361772.db2.gz CTVGBMWZXPFRLC-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4cncnc4C#N)cc3)CC2)CC1 ZINC001240588733 1139447108 /nfs/dbraw/zinc/44/71/08/1139447108.db2.gz GJEBRCPCZKYISL-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(C)F ZINC001278335499 1139849231 /nfs/dbraw/zinc/84/92/31/1139849231.db2.gz NLEPDLAMSDZSDO-GDBMZVCRSA-N 0 3 302.393 2.365 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OCC2CC2)nc1 ZINC001297377881 1139865214 /nfs/dbraw/zinc/86/52/14/1139865214.db2.gz CLISOJWITZVJTE-UHFFFAOYSA-N 0 3 317.433 2.450 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2sc(C(C)C)nc2C)C1 ZINC001491769736 1140302788 /nfs/dbraw/zinc/30/27/88/1140302788.db2.gz UTDPIFSUAFIGCF-ZDUSSCGKSA-N 0 3 305.447 2.402 20 30 DEEDHN C=CCCC(=O)N1CCC2(CN(C[C@@H]3CCCCO3)C2)CC1 ZINC001319395588 1140563253 /nfs/dbraw/zinc/56/32/53/1140563253.db2.gz WICBGGFNSWGUFP-INIZCTEOSA-N 0 3 306.450 2.446 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)[C@@H](C)c1ccco1 ZINC001319633264 1140628837 /nfs/dbraw/zinc/62/88/37/1140628837.db2.gz FYIOWPQGZQILON-HOTGVXAUSA-N 0 3 320.433 2.153 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)CCCCC(C)C)C1 ZINC001278409413 1140737664 /nfs/dbraw/zinc/73/76/64/1140737664.db2.gz KFSSUJOUGSIOHL-IRXDYDNUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)COC2CCCCC2)C1 ZINC001278411822 1140787082 /nfs/dbraw/zinc/78/70/82/1140787082.db2.gz YQFXGAHPYMWYFU-SFHVURJKSA-N 0 3 324.465 2.119 20 30 DEEDHN Cc1cccc(OCCN(C)CCN(C)C(=O)C#CC(C)C)c1 ZINC001319993564 1140810733 /nfs/dbraw/zinc/81/07/33/1140810733.db2.gz CGYAJFLFQSWLFY-UHFFFAOYSA-N 0 3 316.445 2.423 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001320080020 1140819103 /nfs/dbraw/zinc/81/91/03/1140819103.db2.gz DZSNTCXLBWYJDT-INIZCTEOSA-N 0 3 302.418 2.176 20 30 DEEDHN CN1CCC[C@H]2CN(C(=S)Nc3ccc(C#N)cc3)C[C@H]21 ZINC001245916387 1140831440 /nfs/dbraw/zinc/83/14/40/1140831440.db2.gz XYYWODHBIYXTSA-DZGCQCFKSA-N 0 3 300.431 2.281 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1coc2cc(F)ccc12 ZINC001321056298 1141042708 /nfs/dbraw/zinc/04/27/08/1141042708.db2.gz DMURXOBXYOCMME-SNAWJCMRSA-N 0 3 314.360 2.400 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001321173496 1141074909 /nfs/dbraw/zinc/07/49/09/1141074909.db2.gz GFJCKJBTQFOXMU-WYIDIVSCSA-N 0 3 318.461 2.115 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1coc(C2CCCCC2)n1 ZINC001321430476 1141252019 /nfs/dbraw/zinc/25/20/19/1141252019.db2.gz RINYGRKXCDKYAT-SREVYHEPSA-N 0 3 301.390 2.231 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@@H](C)NC(=O)C(C)=C1CCC1 ZINC001321511189 1141296146 /nfs/dbraw/zinc/29/61/46/1141296146.db2.gz MSBSXJIAJPSOLR-CQSZACIVSA-N 0 3 321.465 2.006 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H](C)n1cccc1 ZINC001321823139 1141350521 /nfs/dbraw/zinc/35/05/21/1141350521.db2.gz KOJCUCLMOAMDCZ-IRXDYDNUSA-N 0 3 309.413 2.195 20 30 DEEDHN C[C@H](CN(C)C[C@@H](O)c1ccccc1)NC(=O)C#CC(C)(C)C ZINC001322158633 1141417772 /nfs/dbraw/zinc/41/77/72/1141417772.db2.gz WJKKNKPCSXTVRZ-NVXWUHKLSA-N 0 3 316.445 2.206 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160415 1141424625 /nfs/dbraw/zinc/42/46/25/1141424625.db2.gz LMNQDNPSKQZANN-QWHCGFSZSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160415 1141424639 /nfs/dbraw/zinc/42/46/39/1141424639.db2.gz LMNQDNPSKQZANN-QWHCGFSZSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)CCc1cccc(N(C)C)c1 ZINC001322230838 1141480733 /nfs/dbraw/zinc/48/07/33/1141480733.db2.gz OCPBJFVCFVFBAZ-HNNXBMFYSA-N 0 3 303.450 2.308 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)CCn2cc(Cl)cn2)C1 ZINC001322243683 1141490726 /nfs/dbraw/zinc/49/07/26/1141490726.db2.gz HUTNUIDKEMOGOQ-ZDUSSCGKSA-N 0 3 324.856 2.329 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@@H](OC)C(F)(F)F ZINC001322780253 1141712440 /nfs/dbraw/zinc/71/24/40/1141712440.db2.gz OPBDTAPKVOWIKE-SNVBAGLBSA-N 0 3 316.751 2.144 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001322991896 1141794645 /nfs/dbraw/zinc/79/46/45/1141794645.db2.gz POAIHIYYVPAKCW-RISCZKNCSA-N 0 3 321.248 2.117 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001323357676 1141845777 /nfs/dbraw/zinc/84/57/77/1141845777.db2.gz OWKUJLAKTPVMDH-CYBMUJFWSA-N 0 3 314.389 2.440 20 30 DEEDHN C#CCNC1(CNC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC001323481754 1141857642 /nfs/dbraw/zinc/85/76/42/1141857642.db2.gz KQQQJOKAMQKUSA-UHFFFAOYSA-N 0 3 300.402 2.060 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC001323489191 1141858159 /nfs/dbraw/zinc/85/81/59/1141858159.db2.gz HVGMPSGRSRMCBL-DZGCQCFKSA-N 0 3 300.402 2.207 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cccc(F)c3OC)no2)CCCN1 ZINC001249351924 1141877457 /nfs/dbraw/zinc/87/74/57/1141877457.db2.gz PUPUMZNFYTXVNG-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN N#Cc1ccc2cc(CN3CCC4(CNC(=O)C4)CC3)[nH]c2c1 ZINC001249426031 1141887945 /nfs/dbraw/zinc/88/79/45/1141887945.db2.gz BFKAUUGGLJYAHN-UHFFFAOYSA-N 0 3 308.385 2.142 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC#Cc3ccccc3)C2)C1 ZINC001323872288 1141895292 /nfs/dbraw/zinc/89/52/92/1141895292.db2.gz KSWOBLMXPGUWKG-NRFANRHFSA-N 0 3 320.436 2.376 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001324166603 1142021625 /nfs/dbraw/zinc/02/16/25/1142021625.db2.gz HXNUGFJBJVPXTC-JSGCOSHPSA-N 0 3 305.426 2.111 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001324212911 1142032045 /nfs/dbraw/zinc/03/20/45/1142032045.db2.gz IONJLMSYCNVDFP-NVXWUHKLSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]1CNCc1c(C)nnn1CC ZINC001324220574 1142034244 /nfs/dbraw/zinc/03/42/44/1142034244.db2.gz KOBRKMKUKURSPW-HNNXBMFYSA-N 0 3 319.453 2.043 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNCC(=O)NC(C)(C)C ZINC001324226433 1142035557 /nfs/dbraw/zinc/03/55/57/1142035557.db2.gz RVVMOFUCPFCQME-KSSFIOAISA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)NC1(C)CCN(CCn2cccn2)CC1 ZINC001324319425 1142054902 /nfs/dbraw/zinc/05/49/02/1142054902.db2.gz XJKGMEAPPZLKOV-UHFFFAOYSA-N 0 3 304.438 2.210 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C1CCN(CCO)CC1 ZINC001324432593 1142076675 /nfs/dbraw/zinc/07/66/75/1142076675.db2.gz YZTPQNNRVLEBTG-SJLPKXTDSA-N 0 3 320.477 2.121 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001278560279 1142141614 /nfs/dbraw/zinc/14/16/14/1142141614.db2.gz YRBTVUJAEDCKGY-CVEARBPZSA-N 0 3 317.433 2.469 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001278626353 1142372224 /nfs/dbraw/zinc/37/22/24/1142372224.db2.gz AHYMGVNMBBKWJN-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCn1cnnc1SC[C@@H](O)CN(C)Cc1ccccc1 ZINC001251519007 1142441818 /nfs/dbraw/zinc/44/18/18/1142441818.db2.gz GTOTYGCUIKAFDV-HNNXBMFYSA-N 0 3 318.446 2.049 20 30 DEEDHN C#CCOC[C@H](O)CNC(c1cccs1)c1cccs1 ZINC001251907091 1142538013 /nfs/dbraw/zinc/53/80/13/1142538013.db2.gz VQCRUYIQHJBOEA-GFCCVEGCSA-N 0 3 307.440 2.499 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCCO[C@@H](C(=O)OC)C1 ZINC001252133807 1142651128 /nfs/dbraw/zinc/65/11/28/1142651128.db2.gz SLSSNQYVGCVRSZ-HZPDHXFCSA-N 0 3 315.454 2.362 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CCC(O)(C(=O)OC)CC1 ZINC001252134822 1142654528 /nfs/dbraw/zinc/65/45/28/1142654528.db2.gz ZDYWXKNDAZLLFG-HNNXBMFYSA-N 0 3 315.454 2.098 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COCc2ccccc2)cs1 ZINC001252308243 1142680671 /nfs/dbraw/zinc/68/06/71/1142680671.db2.gz QKQGHVIXAXSNPM-OAHLLOKOSA-N 0 3 302.399 2.287 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cc(F)ccc1OC(F)(F)F ZINC001252450448 1142717700 /nfs/dbraw/zinc/71/77/00/1142717700.db2.gz BLRWHJFRHDHLMY-GFCCVEGCSA-N 0 3 323.286 2.377 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1ccc(Br)cc1F ZINC001252451479 1142718094 /nfs/dbraw/zinc/71/80/94/1142718094.db2.gz QZIGYIFXXCQPRW-LBPRGKRZSA-N 0 3 318.186 2.241 20 30 DEEDHN C=C(C)CCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001337268110 1142720757 /nfs/dbraw/zinc/72/07/57/1142720757.db2.gz MOVKYCOZGKHLLB-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C=CCOC[C@@H](O)CN(C)Cc1cccc(Br)c1 ZINC001252461326 1142721607 /nfs/dbraw/zinc/72/16/07/1142721607.db2.gz PBSHFVDUPWAYJU-AWEZNQCLSA-N 0 3 314.223 2.444 20 30 DEEDHN C=C[C@@](C)(O)CN1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001252555926 1142762257 /nfs/dbraw/zinc/76/22/57/1142762257.db2.gz CAFISXXCMMNBML-LJQANCHMSA-N 0 3 324.428 2.203 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cncn1Cc1ccccc1F ZINC001252622332 1142791992 /nfs/dbraw/zinc/79/19/92/1142791992.db2.gz SEOIUWNXEPNLOM-MRXNPFEDSA-N 0 3 303.381 2.487 20 30 DEEDHN C=CCC[C@H](O)CNCc1cncn1Cc1ccccc1OC ZINC001252622619 1142796004 /nfs/dbraw/zinc/79/60/04/1142796004.db2.gz XOSLWSDYSFBFAM-KRWDZBQOSA-N 0 3 315.417 2.357 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001338704744 1142872308 /nfs/dbraw/zinc/87/23/08/1142872308.db2.gz SRNDKLJJMAJERW-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@H](O)CN1CC[C@H]2C[C@@H](c3ccnc(C(C)C)n3)O[C@@H]2C1 ZINC001253576840 1142881660 /nfs/dbraw/zinc/88/16/60/1142881660.db2.gz PDTCOGBRFOWQGC-NXNVCVFFSA-N 0 3 317.433 2.299 20 30 DEEDHN C=C[C@H](O)CN[C@@H](C)C(=O)Nc1cc2ccccc2c(OC)c1 ZINC001253617122 1142884757 /nfs/dbraw/zinc/88/47/57/1142884757.db2.gz ZYBOGHBDKWQAAQ-WFASDCNBSA-N 0 3 314.385 2.312 20 30 DEEDHN C[C@@](O)(CN1CCC[C@H](C#N)CC1)C(=O)OCc1ccccc1 ZINC001253637061 1142886800 /nfs/dbraw/zinc/88/68/00/1142886800.db2.gz XUQNUCNDCYLFNB-MAUKXSAKSA-N 0 3 316.401 2.106 20 30 DEEDHN C=CCOCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC=C ZINC001338933615 1142893103 /nfs/dbraw/zinc/89/31/03/1142893103.db2.gz GPNUKRIBZUMCOW-GJZGRUSLSA-N 0 3 319.453 2.086 20 30 DEEDHN C#CCN(C(=O)c1ccnn1[C@@H](C)CC)C1CCN(C)CC1 ZINC001339048419 1142908432 /nfs/dbraw/zinc/90/84/32/1142908432.db2.gz DZPKFGXBRIYFHM-AWEZNQCLSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1 ZINC001339152676 1142952762 /nfs/dbraw/zinc/95/27/62/1142952762.db2.gz JSXRUYRYXITXRO-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC(=O)OC)c1ccc(C)cc1 ZINC001353203045 1151816482 /nfs/dbraw/zinc/81/64/82/1151816482.db2.gz KWCALCDOXMRFRB-HZPDHXFCSA-N 0 3 318.417 2.399 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC001340001211 1143229596 /nfs/dbraw/zinc/22/95/96/1143229596.db2.gz BYWXDZFEOFFFDR-ZIAGYGMSSA-N 0 3 323.824 2.056 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2csc(C)c2)C1 ZINC001278794591 1143252973 /nfs/dbraw/zinc/25/29/73/1143252973.db2.gz FBTVGEGLMSOATK-KRWDZBQOSA-N 0 3 322.474 2.322 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)C1 ZINC001254678206 1143310421 /nfs/dbraw/zinc/31/04/21/1143310421.db2.gz ZGYMNNKLLMXDPS-UKPHBRMFSA-N 0 3 313.401 2.321 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCN(CC(C)C)CC1 ZINC001340311393 1143322766 /nfs/dbraw/zinc/32/27/66/1143322766.db2.gz BLXCGGAACCJZQG-LSDHHAIUSA-N 0 3 303.454 2.366 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCS[C@H](C)C1 ZINC001340331023 1143325489 /nfs/dbraw/zinc/32/54/89/1143325489.db2.gz GYHXRXZQHIURBF-KGLIPLIRSA-N 0 3 321.494 2.215 20 30 DEEDHN CC[C@H](CC#N)N[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254807729 1143326676 /nfs/dbraw/zinc/32/66/76/1143326676.db2.gz OWQFDNAWBXXNEX-ZIAGYGMSSA-N 0 3 323.437 2.437 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001340863820 1143470587 /nfs/dbraw/zinc/47/05/87/1143470587.db2.gz ZUWQKUTWKZNDBM-HZPDHXFCSA-N 0 3 323.481 2.334 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001341316822 1143582722 /nfs/dbraw/zinc/58/27/22/1143582722.db2.gz DWLGRSBTRSVGHW-OCCSQVGLSA-N 0 3 305.378 2.498 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCN1CCCc2ccccc21 ZINC001341569883 1143629422 /nfs/dbraw/zinc/62/94/22/1143629422.db2.gz ANXUVRUHKQHLNY-MRXNPFEDSA-N 0 3 301.434 2.239 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@H]1CNCCN1C)c1ccccc1 ZINC001341606302 1143637930 /nfs/dbraw/zinc/63/79/30/1143637930.db2.gz AGQWPAIDIKKSPC-IAGOWNOFSA-N 0 3 301.434 2.104 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001342748654 1143834860 /nfs/dbraw/zinc/83/48/60/1143834860.db2.gz PRLCAAKKPMTEQA-HNNXBMFYSA-N 0 3 323.412 2.100 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(C)C ZINC001278922654 1143839134 /nfs/dbraw/zinc/83/91/34/1143839134.db2.gz UDIPYUOWVVMZEM-HOTGVXAUSA-N 0 3 323.481 2.023 20 30 DEEDHN CCn1c(CCCC#N)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001342846900 1143839401 /nfs/dbraw/zinc/83/94/01/1143839401.db2.gz MGBAIOKBUNSYEH-UONOGXRCSA-N 0 3 304.442 2.063 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cnn(C)c1)C2 ZINC001278947571 1143855009 /nfs/dbraw/zinc/85/50/09/1143855009.db2.gz IRAQUBCPPOIAHY-XIRDDKMYSA-N 0 3 316.449 2.246 20 30 DEEDHN COc1cccc2c1CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N[O-])C2 ZINC001256644323 1143859870 /nfs/dbraw/zinc/85/98/70/1143859870.db2.gz VFYURXOXMYIGSJ-ZFWWWQNUSA-N 0 3 306.406 2.062 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN([C@H](C)Cc2ccncc2)C1 ZINC001256752606 1143866237 /nfs/dbraw/zinc/86/62/37/1143866237.db2.gz MBLLBESZHIDPEC-ZBFHGGJFSA-N 0 3 303.406 2.389 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804029 1143867722 /nfs/dbraw/zinc/86/77/22/1143867722.db2.gz LCURYSWYSHSUGC-UKMLZYKCSA-N 0 3 306.406 2.416 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)CCOC ZINC001279048392 1143954464 /nfs/dbraw/zinc/95/44/64/1143954464.db2.gz BMPHEWPZLYLZGQ-BJWYYQGGSA-N 0 3 308.466 2.453 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001299541172 1144053494 /nfs/dbraw/zinc/05/34/94/1144053494.db2.gz RBRITCOJNHQSGO-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@H](CC)N(C)C)C1 ZINC001299574383 1144088873 /nfs/dbraw/zinc/08/88/73/1144088873.db2.gz OPRZDBBWOKPDKI-KBXCAEBGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1nc(-c2ccccc2)no1 ZINC001263069833 1144353542 /nfs/dbraw/zinc/35/35/42/1144353542.db2.gz CCCHDNSEIFXRKS-ZDUSSCGKSA-N 0 3 300.362 2.036 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CCOC(C)=O)c1 ZINC001263115940 1144356835 /nfs/dbraw/zinc/35/68/35/1144356835.db2.gz JDOGUJNIFJAXNE-MRXNPFEDSA-N 0 3 304.390 2.414 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC001263117594 1144357190 /nfs/dbraw/zinc/35/71/90/1144357190.db2.gz FOHRLGGEXFILEA-QGZVFWFLSA-N 0 3 312.417 2.387 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC(=O)OC)c1cccc(C)c1 ZINC001263176553 1144359418 /nfs/dbraw/zinc/35/94/18/1144359418.db2.gz JGNYHYMUMTUUFM-CVEARBPZSA-N 0 3 318.417 2.399 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cnn(CC2CCC2)c1 ZINC001263254496 1144363142 /nfs/dbraw/zinc/36/31/42/1144363142.db2.gz IMLIOUNPGJIAQK-BBRMVZONSA-N 0 3 317.437 2.272 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCCNC(=O)C(C)(C)C ZINC001263616978 1144383496 /nfs/dbraw/zinc/38/34/96/1144383496.db2.gz PHPJUFWZBFBTIU-LBPRGKRZSA-N 0 3 304.394 2.022 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C=C(C)C)C1 ZINC001263853859 1144412666 /nfs/dbraw/zinc/41/26/66/1144412666.db2.gz JHZGEOGBAXZZHC-HAQNSBGRSA-N 0 3 301.228 2.346 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](N[C@@H](C)c3cnccn3)C2)C1 ZINC001263872830 1144418071 /nfs/dbraw/zinc/41/80/71/1144418071.db2.gz YKAKHCMUUOPGNS-KKUMJFAQSA-N 0 3 314.433 2.378 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cnccc2C)[C@H]1CC ZINC001264048925 1144449807 /nfs/dbraw/zinc/44/98/07/1144449807.db2.gz HYKHDIGAHIDBIC-DLBZAZTESA-N 0 3 317.433 2.175 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](OC)C2CCCCC2)[C@H]1C ZINC001264179419 1144498670 /nfs/dbraw/zinc/49/86/70/1144498670.db2.gz UOHZEIFBAIGDQX-HYVNUMGLSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2nccn2c1 ZINC001264187460 1144501907 /nfs/dbraw/zinc/50/19/07/1144501907.db2.gz UXUZHSFKDNIYGF-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)CC2CCC2)CC(C)(C)C1 ZINC001264193251 1144504963 /nfs/dbraw/zinc/50/49/63/1144504963.db2.gz OHICRWFNKSXADW-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1N(C)C ZINC001264379984 1144522515 /nfs/dbraw/zinc/52/25/15/1144522515.db2.gz BFYIQDBIBKRXCG-OAHLLOKOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001264382741 1144522969 /nfs/dbraw/zinc/52/29/69/1144522969.db2.gz OZRSSWGBQCICTG-BBRMVZONSA-N 0 3 318.465 2.249 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccnn1C ZINC001264507885 1144550280 /nfs/dbraw/zinc/55/02/80/1144550280.db2.gz ALJVXALZXKRSSC-TZMCWYRMSA-N 0 3 324.856 2.393 20 30 DEEDHN C=CC(C)(C)CC(=O)NCc1nc(C[NH2+]CC(=C)C)cc(=O)[n-]1 ZINC001264581704 1144570379 /nfs/dbraw/zinc/57/03/79/1144570379.db2.gz MERPSGALJZGQQT-UHFFFAOYSA-N 0 3 318.421 2.066 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)CCC)C1 ZINC001264673603 1144589706 /nfs/dbraw/zinc/58/97/06/1144589706.db2.gz RHCYHZVMWPMZBM-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001264681620 1144591953 /nfs/dbraw/zinc/59/19/53/1144591953.db2.gz GCLFZZXQBFRPAU-HNNXBMFYSA-N 0 3 319.453 2.330 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCCOCC=C)CC(C)(C)C1 ZINC001264751796 1144607014 /nfs/dbraw/zinc/60/70/14/1144607014.db2.gz OLRULZCSWDLTGA-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001265074720 1144637895 /nfs/dbraw/zinc/63/78/95/1144637895.db2.gz GCUIOMZFVBFSKJ-OAHLLOKOSA-N 0 3 304.821 2.441 20 30 DEEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1cccc(Cl)n1 ZINC001265106306 1144645513 /nfs/dbraw/zinc/64/55/13/1144645513.db2.gz IZPIUPWDXGYFRK-GFCCVEGCSA-N 0 3 308.813 2.223 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(CC)C/C=C/Cl)c1 ZINC001265132882 1144651338 /nfs/dbraw/zinc/65/13/38/1144651338.db2.gz UXHQDHAIIWXYJA-FNORWQNLSA-N 0 3 305.809 2.257 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccnn1CC(C)C)C1CC1 ZINC001265162505 1144658118 /nfs/dbraw/zinc/65/81/18/1144658118.db2.gz CQDVEGZZJWAQDA-UHFFFAOYSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(C)CC[N@H+](CCCNC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001265172803 1144660592 /nfs/dbraw/zinc/66/05/92/1144660592.db2.gz KGMUZTIQPCANCG-UHFFFAOYSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(C)CC[N@@H+](CCCNC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001265172803 1144660597 /nfs/dbraw/zinc/66/05/97/1144660597.db2.gz KGMUZTIQPCANCG-UHFFFAOYSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCN(CCCNC(=O)C[C@@H]1CCO[C@@H](CC)C1)C1CC1 ZINC001265179497 1144662068 /nfs/dbraw/zinc/66/20/68/1144662068.db2.gz BLTXYRHITWVGRS-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H](C)c2ccco2)CC1 ZINC001265249102 1144675965 /nfs/dbraw/zinc/67/59/65/1144675965.db2.gz GSKAWWXHYHKWJH-INIZCTEOSA-N 0 3 319.449 2.083 20 30 DEEDHN CC(C)CCCN1CCN(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001265258754 1144676653 /nfs/dbraw/zinc/67/66/53/1144676653.db2.gz PIOLEIPKJNFUGK-UHFFFAOYSA-N 0 3 321.509 2.206 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2cnc[nH]2)CC1 ZINC001265341610 1144696286 /nfs/dbraw/zinc/69/62/86/1144696286.db2.gz VJZWMGQBZSQEHR-UHFFFAOYSA-N 0 3 304.438 2.231 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1c(C)noc1C)C1CC1 ZINC001265366359 1144698767 /nfs/dbraw/zinc/69/87/67/1144698767.db2.gz MKLLPPXAPAAWHN-OAHLLOKOSA-N 0 3 305.422 2.488 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CN(C)[C@H](CC)C(N)=O)C1 ZINC001265392656 1144701661 /nfs/dbraw/zinc/70/16/61/1144701661.db2.gz JBVILFZHFWBEGQ-LSDHHAIUSA-N 0 3 323.481 2.023 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2c(F)ccc3ccncc32)C1 ZINC001265431168 1144703745 /nfs/dbraw/zinc/70/37/45/1144703745.db2.gz XPZAIMCWVJMSNT-AWEZNQCLSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ns2)C1 ZINC001265468825 1144705718 /nfs/dbraw/zinc/70/57/18/1144705718.db2.gz PEKZXMCXXKCWAT-IHRRRGAJSA-N 0 3 323.462 2.170 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C=C2CCC2)C1 ZINC001265522649 1144708837 /nfs/dbraw/zinc/70/88/37/1144708837.db2.gz AFMNZJFCJCWVJV-QZTJIDSGSA-N 0 3 316.445 2.059 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001265531523 1144709709 /nfs/dbraw/zinc/70/97/09/1144709709.db2.gz MNNHATZBDNBYIK-IYBDPMFKSA-N 0 3 317.433 2.144 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C2(CC#C)CCCCC2)C1 ZINC001265596749 1144716668 /nfs/dbraw/zinc/71/66/68/1144716668.db2.gz JPSOHXHVVRQTSU-QGZVFWFLSA-N 0 3 300.446 2.422 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)NC(C)(C)C ZINC001265663576 1144724577 /nfs/dbraw/zinc/72/45/77/1144724577.db2.gz JDXXVYMKVQXMSP-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc(Cl)c(C)c1 ZINC001265818669 1144743899 /nfs/dbraw/zinc/74/38/99/1144743899.db2.gz PDHRJXPCUNGXDF-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC001265966323 1144772608 /nfs/dbraw/zinc/77/26/08/1144772608.db2.gz PNUVPGLLXRAJJP-INIZCTEOSA-N 0 3 302.418 2.224 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=O)NCCC ZINC001265999105 1144781509 /nfs/dbraw/zinc/78/15/09/1144781509.db2.gz WUWDUJAWOJDSAW-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001266105529 1144805998 /nfs/dbraw/zinc/80/59/98/1144805998.db2.gz QHZZDOVOXZSHIC-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H](C)Oc1ccccc1F)C1CC1 ZINC001266138412 1144808878 /nfs/dbraw/zinc/80/88/78/1144808878.db2.gz GECCHVZZCORCMH-CQSZACIVSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccccc1-c1cn[nH]c1)C1CC1 ZINC001266141382 1144809125 /nfs/dbraw/zinc/80/91/25/1144809125.db2.gz FPKFQVVAYGACAV-UHFFFAOYSA-N 0 3 322.412 2.294 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(F)c(F)c1F)C1CC1 ZINC001266156440 1144810461 /nfs/dbraw/zinc/81/04/61/1144810461.db2.gz BMRDKCWFJKALOF-UHFFFAOYSA-N 0 3 310.319 2.321 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H]1CC12CC(OCC)C2)C1CC1 ZINC001266159192 1144810680 /nfs/dbraw/zinc/81/06/80/1144810680.db2.gz IBDWIJIGCAEERQ-HFCFLWKCSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc(OC)c1F)C1CC1 ZINC001266165653 1144810909 /nfs/dbraw/zinc/81/09/09/1144810909.db2.gz BMMAMNIUEXNGMX-UHFFFAOYSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)CCC2CCOCC2)CC1 ZINC001279156701 1144818915 /nfs/dbraw/zinc/81/89/15/1144818915.db2.gz VVMRXBVTDONBTN-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCc3cccs3)C[C@@H]2C1 ZINC001279410176 1144822207 /nfs/dbraw/zinc/82/22/07/1144822207.db2.gz TXVWIUHFBKPUFZ-IYBDPMFKSA-N 0 3 316.470 2.484 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)CC2CCCCCC2)C1 ZINC001279518192 1144823624 /nfs/dbraw/zinc/82/36/24/1144823624.db2.gz FRVFWGCKAMPRCI-LJQANCHMSA-N 0 3 320.477 2.313 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CCNCc2cc(C)n(C)n2)C1 ZINC001279989940 1144830552 /nfs/dbraw/zinc/83/05/52/1144830552.db2.gz FTFPILLTVXTCQN-HNNXBMFYSA-N 0 3 304.438 2.023 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C2(CC)CCOCC2)CC1 ZINC001280760205 1144853663 /nfs/dbraw/zinc/85/36/63/1144853663.db2.gz PFTLWTQLIRJITD-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCCN(C)Cc1csc(C)c1 ZINC001280813577 1144857907 /nfs/dbraw/zinc/85/79/07/1144857907.db2.gz DQVQINUJODHQNN-HNNXBMFYSA-N 0 3 322.474 2.375 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1NCC#Cc1ccccc1 ZINC001281375521 1144885778 /nfs/dbraw/zinc/88/57/78/1144885778.db2.gz XOZREMXWYXXSNM-QAPCUYQASA-N 0 3 308.381 2.381 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001281437178 1144889535 /nfs/dbraw/zinc/88/95/35/1144889535.db2.gz ZDGXMUPFYAMNJB-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccc(OC)cc2)C[C@H]1C ZINC001281682201 1144907105 /nfs/dbraw/zinc/90/71/05/1144907105.db2.gz CWQRPSHJNRWLOZ-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C[C@H](C(=O)NCCCCCN1CCN(CC#N)CC1)C(C)(C)C ZINC001281788503 1144914118 /nfs/dbraw/zinc/91/41/18/1144914118.db2.gz JGCSTKWKNKUZCH-MRXNPFEDSA-N 0 3 322.497 2.096 20 30 DEEDHN C=CCOCC(=O)NC1CC(CNCc2c(F)cccc2F)C1 ZINC001281990682 1144926678 /nfs/dbraw/zinc/92/66/78/1144926678.db2.gz NXCKUNKDXROOJX-UHFFFAOYSA-N 0 3 324.371 2.152 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(C3CC3)n2)C1 ZINC001282185799 1145009512 /nfs/dbraw/zinc/00/95/12/1145009512.db2.gz RCWAMKHBOBXQJJ-NEPJUHHUSA-N 0 3 317.437 2.021 20 30 DEEDHN Cc1conc1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282215075 1145014729 /nfs/dbraw/zinc/01/47/29/1145014729.db2.gz PNWAOWPXPZFISM-CABCVRRESA-N 0 3 311.385 2.131 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2ccc(C#N)cc2OC)C(C)(C)C1 ZINC001364250777 1145116294 /nfs/dbraw/zinc/11/62/94/1145116294.db2.gz AXPZDFXBXNFOMJ-OAHLLOKOSA-N 0 3 301.390 2.027 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001282737091 1145155070 /nfs/dbraw/zinc/15/50/70/1145155070.db2.gz BKXQWQXJSDXUSR-ZIAGYGMSSA-N 0 3 302.393 2.389 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccco2)C1 ZINC001282744033 1145159120 /nfs/dbraw/zinc/15/91/20/1145159120.db2.gz LAFAOXIJVJQMFB-UONOGXRCSA-N 0 3 306.406 2.022 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2nc(C)cs2)C(C)(C)C1 ZINC001282813214 1145170061 /nfs/dbraw/zinc/17/00/61/1145170061.db2.gz VDXWFPWHCWMCTK-CYBMUJFWSA-N 0 3 307.463 2.397 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2cccc(C)c2)C(C)(C)C1 ZINC001282833468 1145173121 /nfs/dbraw/zinc/17/31/21/1145173121.db2.gz KTHQGRCLUJSZDK-KRWDZBQOSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)Cc2ccco2)C(C)(C)C1 ZINC001282834291 1145173900 /nfs/dbraw/zinc/17/39/00/1145173900.db2.gz ULCKZMXZYGNZGT-GOEBONIOSA-N 0 3 302.418 2.308 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001282884119 1145187875 /nfs/dbraw/zinc/18/78/75/1145187875.db2.gz ADWLXKUMFQCBSC-OWZKRDHZSA-N 0 3 322.452 2.035 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H]([C@H](C)NCc2cncs2)C1 ZINC001282910949 1145198863 /nfs/dbraw/zinc/19/88/63/1145198863.db2.gz IHEMICWYMQNIFG-ZFWWWQNUSA-N 0 3 323.462 2.205 20 30 DEEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC001364409260 1145230598 /nfs/dbraw/zinc/23/05/98/1145230598.db2.gz WZJYMEGIMZHUNL-HNNXBMFYSA-N 0 3 309.373 2.378 20 30 DEEDHN CCN1[C@H](C)CN(Cc2cccc(C(=O)OC)c2C#N)C[C@@H]1C ZINC001364445049 1145256551 /nfs/dbraw/zinc/25/65/51/1145256551.db2.gz SMEIKYRMKDUUEM-OKILXGFUSA-N 0 3 315.417 2.259 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001480643452 1145296282 /nfs/dbraw/zinc/29/62/82/1145296282.db2.gz HSSFWTUZBSKTJV-HNNXBMFYSA-N 0 3 304.438 2.023 20 30 DEEDHN CC(C)[C@H](NC[C@H](O)c1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC001364691456 1145470403 /nfs/dbraw/zinc/47/04/03/1145470403.db2.gz QHHDDKORKUXWKR-IHRRRGAJSA-N 0 3 316.323 2.129 20 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GUCRGMQPMLTMDS-DLBZAZTESA-N 0 3 307.482 2.101 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001284186221 1145814150 /nfs/dbraw/zinc/81/41/50/1145814150.db2.gz FCFSXJGKLAUIKD-UHFFFAOYSA-N 0 3 323.481 2.082 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)[C@@]2(C)CC=CCC2)CC1(C)C ZINC001284292781 1145831436 /nfs/dbraw/zinc/83/14/36/1145831436.db2.gz WTGCIQLKCMUDAP-LPHOPBHVSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC001284519501 1145866554 /nfs/dbraw/zinc/86/65/54/1145866554.db2.gz JYUMRYGHIJANCF-DLBZAZTESA-N 0 3 322.424 2.256 20 30 DEEDHN C#CCCN(CCNC(=O)[C@@]1(C)CC=C(C)CC1)CCOC ZINC001284669358 1145887986 /nfs/dbraw/zinc/88/79/86/1145887986.db2.gz VTSVTDPCHBWXBD-SFHVURJKSA-N 0 3 306.450 2.211 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)CC[C@@H]2CCCO2)CC1 ZINC001284706216 1145893603 /nfs/dbraw/zinc/89/36/03/1145893603.db2.gz UJFAVVRTILZHNT-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2cnccn2)C1 ZINC001316634783 1145898961 /nfs/dbraw/zinc/89/89/61/1145898961.db2.gz MIQIWHPECJETST-BZUAXINKSA-N 0 3 314.433 2.216 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)Cc3cncs3)CC2)CC1 ZINC001284842653 1145934807 /nfs/dbraw/zinc/93/48/07/1145934807.db2.gz MUNIIGBVHCGHCK-UHFFFAOYSA-N 0 3 317.458 2.070 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccc(C)nc2)C1 ZINC001365824896 1146020974 /nfs/dbraw/zinc/02/09/74/1146020974.db2.gz OSVVTXCJCXGQCU-GASCZTMLSA-N 0 3 307.825 2.169 20 30 DEEDHN CCc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)o1 ZINC001365845125 1146026668 /nfs/dbraw/zinc/02/66/68/1146026668.db2.gz BLANSTNUMDUTMS-FPMFFAJLSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001285378890 1146126273 /nfs/dbraw/zinc/12/62/73/1146126273.db2.gz XKLURCADKQIZPZ-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001285728889 1146306892 /nfs/dbraw/zinc/30/68/92/1146306892.db2.gz GAAMQCCQXCYKSN-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001285736388 1146309125 /nfs/dbraw/zinc/30/91/25/1146309125.db2.gz SMJGAUCRFVYPFX-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001286362971 1146563313 /nfs/dbraw/zinc/56/33/13/1146563313.db2.gz ICHCGFZERNCKRH-MRXNPFEDSA-N 0 3 315.396 2.098 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)[C@H]1C ZINC001288012466 1146762349 /nfs/dbraw/zinc/76/23/49/1146762349.db2.gz NOCCIZZMDTWYNM-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN COc1ccc(C#N)cc1CNC1CC(CNC(=O)C(C)C)C1 ZINC001365908143 1146902866 /nfs/dbraw/zinc/90/28/66/1146902866.db2.gz JESZXMLYHAVADU-UHFFFAOYSA-N 0 3 315.417 2.207 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001491953656 1147016909 /nfs/dbraw/zinc/01/69/09/1147016909.db2.gz YIAINAAGNKTIGK-ARFHVFGLSA-N 0 3 300.402 2.329 20 30 DEEDHN CCc1ccccc1CCN(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001492230667 1147170768 /nfs/dbraw/zinc/17/07/68/1147170768.db2.gz 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/nfs/dbraw/zinc/24/10/81/1147241081.db2.gz VNBRECREWQJAMG-UHFFFAOYSA-N 0 3 314.788 2.343 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCC[C@@H]1CCCN1CC(=C)Cl ZINC001317421174 1147373497 /nfs/dbraw/zinc/37/34/97/1147373497.db2.gz MHRISFYNJVKDLS-GDBMZVCRSA-N 0 3 314.857 2.427 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001317493224 1147519603 /nfs/dbraw/zinc/51/96/03/1147519603.db2.gz UBHQCEFLKIPWGA-SFHVURJKSA-N 0 3 302.418 2.316 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001316743280 1147520164 /nfs/dbraw/zinc/52/01/64/1147520164.db2.gz DDHSKKDUZFRWFM-WBVHZDCISA-N 0 3 314.445 2.376 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCOc2cccc(F)c2)C1 ZINC001317520108 1147545887 /nfs/dbraw/zinc/54/58/87/1147545887.db2.gz JLBUOTVZXXTUJN-HNNXBMFYSA-N 0 3 318.392 2.056 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001316745886 1147565487 /nfs/dbraw/zinc/56/54/87/1147565487.db2.gz KSNBDMLOSIZYHQ-OAHLLOKOSA-N 0 3 312.429 2.130 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001316748602 1147593818 /nfs/dbraw/zinc/59/38/18/1147593818.db2.gz KFAYMAQUKMGYHU-FUHWJXTLSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cnn(CC)n2)C1 ZINC001316943475 1147636438 /nfs/dbraw/zinc/63/64/38/1147636438.db2.gz HUULRFMVXVKCSR-OAHLLOKOSA-N 0 3 319.453 2.239 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](NCc1c(C)noc1C)C1CC1 ZINC001317026114 1147649676 /nfs/dbraw/zinc/64/96/76/1147649676.db2.gz LFROKEHYDXBBBQ-QGZVFWFLSA-N 0 3 317.433 2.469 20 30 DEEDHN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CCCCCC ZINC001317049837 1147653231 /nfs/dbraw/zinc/65/32/31/1147653231.db2.gz MLSJJVPFXKXDHZ-HDICACEKSA-N 0 3 319.493 2.197 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001317085330 1147657782 /nfs/dbraw/zinc/65/77/82/1147657782.db2.gz IICMKPYOXUQVKS-BPUTZDHNSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC#Cc2ccccc2)C1 ZINC001317100022 1147659307 /nfs/dbraw/zinc/65/93/07/1147659307.db2.gz MFTHFMLYIPGJBG-PMACEKPBSA-N 0 3 320.436 2.374 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2sc(C)nc2C)C1 ZINC001317140712 1147665662 /nfs/dbraw/zinc/66/56/62/1147665662.db2.gz VLBBGTBQJXEYIB-HNNXBMFYSA-N 0 3 319.474 2.154 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ncccc1F ZINC001317172569 1147670389 /nfs/dbraw/zinc/67/03/89/1147670389.db2.gz DCZBAUGXTUOVJB-CQSZACIVSA-N 0 3 305.397 2.310 20 30 DEEDHN Cc1ncccc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001367268153 1147671743 /nfs/dbraw/zinc/67/17/43/1147671743.db2.gz CBLHJQDQPHISKV-AWEZNQCLSA-N 0 3 322.412 2.417 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCC(=O)N(C)CC ZINC001317188484 1147673467 /nfs/dbraw/zinc/67/34/67/1147673467.db2.gz JYOGGVIPZXQXML-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1c(C)occ1C(F)(F)F ZINC001317254519 1147683201 /nfs/dbraw/zinc/68/32/01/1147683201.db2.gz UGDFEEJLCJFCEY-SECBINFHSA-N 0 3 302.296 2.338 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1cccc(NC(C)=O)c1 ZINC001317259716 1147683495 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Cc1ccoc1CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001367753145 1147737479 /nfs/dbraw/zinc/73/74/79/1147737479.db2.gz IGJMDYIJWYQXHG-LBPRGKRZSA-N 0 3 317.414 2.358 20 30 DEEDHN CC#CCNCCN(C)C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001317667615 1147741185 /nfs/dbraw/zinc/74/11/85/1147741185.db2.gz CSENONMWJFTFPZ-UHFFFAOYSA-N 0 3 302.393 2.391 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C[C@H]1CCCO1 ZINC001367789016 1147745040 /nfs/dbraw/zinc/74/50/40/1147745040.db2.gz KCFWOEMNEDJNQO-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C[C@H]1CCCO1 ZINC001367789009 1147745147 /nfs/dbraw/zinc/74/51/47/1147745147.db2.gz KCFWOEMNEDJNQO-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ccc(C#C)cn1)c1ccccc1 ZINC001317726916 1147747590 /nfs/dbraw/zinc/74/75/90/1147747590.db2.gz GAFSBZNUWMNJIU-LJQANCHMSA-N 0 3 317.392 2.147 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)Cc1c(C)n[nH]c1C)c1ccccc1 ZINC001317727082 1147747696 /nfs/dbraw/zinc/74/76/96/1147747696.db2.gz JTNILKTVCYVUEL-SFHVURJKSA-N 0 3 324.428 2.039 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CC/C=C\CCC)C1 ZINC001318154301 1147786757 /nfs/dbraw/zinc/78/67/57/1147786757.db2.gz FJMRTURTGKXTNA-SEDCNLEPSA-N 0 3 306.450 2.372 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CN(CC/C=C\CCC)C2)cn1 ZINC001318168322 1147787951 /nfs/dbraw/zinc/78/79/51/1147787951.db2.gz DAAYLKPOLFGLJZ-SREVYHEPSA-N 0 3 311.429 2.471 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1nncc2ccccc21 ZINC001318205643 1147795723 /nfs/dbraw/zinc/79/57/23/1147795723.db2.gz JGUJFZNMKXVTFA-HOTGVXAUSA-N 0 3 322.412 2.495 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001318367549 1147816524 /nfs/dbraw/zinc/81/65/24/1147816524.db2.gz VOCDUGCFUAMYGP-FUHWJXTLSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCCCN1CC[C@@](C)(NC(=O)c2scnc2COC)C1 ZINC001324657257 1147827421 /nfs/dbraw/zinc/82/74/21/1147827421.db2.gz POTGPSUQADAQCM-MRXNPFEDSA-N 0 3 323.462 2.450 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001324971162 1147862942 /nfs/dbraw/zinc/86/29/42/1147862942.db2.gz FLHCKYLMOJCFAW-QAPCUYQASA-N 0 3 318.465 2.003 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2csc(C)c2C)C1 ZINC001325095380 1147874933 /nfs/dbraw/zinc/87/49/33/1147874933.db2.gz CNVFDNXLQKDMCM-MRXNPFEDSA-N 0 3 308.447 2.108 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001325227419 1147886074 /nfs/dbraw/zinc/88/60/74/1147886074.db2.gz FHHWNFSGEWWWBI-GDBMZVCRSA-N 0 3 311.809 2.357 20 30 DEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C[C@@H](C)OC)C2)CC1 ZINC001325352946 1147895338 /nfs/dbraw/zinc/89/53/38/1147895338.db2.gz UAABLOBTRKDNQT-SJLPKXTDSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1nonc1C)c1ccccc1CC ZINC001325367773 1147897015 /nfs/dbraw/zinc/89/70/15/1147897015.db2.gz ZASDKGAZGFFTNZ-HNNXBMFYSA-N 0 3 314.389 2.187 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001325864966 1148010082 /nfs/dbraw/zinc/01/00/82/1148010082.db2.gz KLOHYLHUNQORSS-VQIMIIECSA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cnn2c1CCC2 ZINC001326449646 1148103692 /nfs/dbraw/zinc/10/36/92/1148103692.db2.gz QFNDCHIWHFDYGX-UHFFFAOYSA-N 0 3 324.428 2.377 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2nccc(C)n2)cc1 ZINC001326469042 1148108011 /nfs/dbraw/zinc/10/80/11/1148108011.db2.gz PQRHGQKWPHRDAN-HNNXBMFYSA-N 0 3 322.412 2.389 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccncn2)cc1 ZINC001326478585 1148109267 /nfs/dbraw/zinc/10/92/67/1148109267.db2.gz CUOCVXZNCPXQCT-CQSZACIVSA-N 0 3 308.385 2.081 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCCO2)cc1 ZINC001326495358 1148116866 /nfs/dbraw/zinc/11/68/66/1148116866.db2.gz SPORMLOWFXBVKF-RHSMWYFYSA-N 0 3 300.402 2.156 20 30 DEEDHN CC(=O)Nc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1C ZINC001326784436 1148244007 /nfs/dbraw/zinc/24/40/07/1148244007.db2.gz QLTWUVVJLLUBQR-ZDUSSCGKSA-N 0 3 302.378 2.303 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2ccc(OC)cc2)CCC1 ZINC001326924849 1148291767 /nfs/dbraw/zinc/29/17/67/1148291767.db2.gz OCZZRQFOJNXSCX-UHFFFAOYSA-N 0 3 314.429 2.280 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc(F)ccc1C#N ZINC000278359452 214113699 /nfs/dbraw/zinc/11/36/99/214113699.db2.gz AXRPNWUBZLUOHG-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000424116790 230598483 /nfs/dbraw/zinc/59/84/83/230598483.db2.gz YCLXYUAOXTYUNX-UONOGXRCSA-N 0 3 314.414 2.370 20 30 DEEDHN N#CCN1CCC(N[C@H](c2ccccc2)c2cncnc2)CC1 ZINC000612571081 361863080 /nfs/dbraw/zinc/86/30/80/361863080.db2.gz VZMVZDSWYDXGOG-GOSISDBHSA-N 0 3 307.401 2.144 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000278749028 214374197 /nfs/dbraw/zinc/37/41/97/214374197.db2.gz JJWIOCBJAUGFRR-IAGOWNOFSA-N 0 3 302.418 2.346 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000278767948 214386966 /nfs/dbraw/zinc/38/69/66/214386966.db2.gz WSJCGKHLKKPDBL-FUHWJXTLSA-N 0 3 302.418 2.094 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000278768829 214387451 /nfs/dbraw/zinc/38/74/51/214387451.db2.gz WJSGBZNBZSLVFI-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(CC(C)C)CC1 ZINC000083132172 185213602 /nfs/dbraw/zinc/21/36/02/185213602.db2.gz XRFRLEPVLWWKDZ-KRWDZBQOSA-N 0 3 315.417 2.046 20 30 DEEDHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329694596 282195064 /nfs/dbraw/zinc/19/50/64/282195064.db2.gz CSJWQRYZUZLGLB-YRGRVCCFSA-N 0 3 310.442 2.070 20 30 DEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000181560501 199317903 /nfs/dbraw/zinc/31/79/03/199317903.db2.gz BAFHXCNTMRFRBI-GUYCJALGSA-N 0 3 312.369 2.354 20 30 DEEDHN CN(C(=O)CN(C[C@H]1CCOC1)C1CC1)C1(C#N)CCCCC1 ZINC000046092585 539338095 /nfs/dbraw/zinc/33/80/95/539338095.db2.gz TVQNRBCRORXFGZ-OAHLLOKOSA-N 0 3 319.449 2.172 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC(C)(C)CCC#N)C1 ZINC000376994625 529799757 /nfs/dbraw/zinc/79/97/57/529799757.db2.gz PYGZKCSIKLQFQE-HUUCEWRRSA-N 0 3 306.454 2.442 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)C1 ZINC000292599778 529810890 /nfs/dbraw/zinc/81/08/90/529810890.db2.gz RPYNEVXXQJNXHS-INIZCTEOSA-N 0 3 305.328 2.004 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCC1CCC(C#N)CC1 ZINC000333059562 529948452 /nfs/dbraw/zinc/94/84/52/529948452.db2.gz IIARQDPPRPSDDK-UYSNPLJNSA-N 0 3 306.454 2.300 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(N)=O)c1)c1ccc2ccccc2n1 ZINC000614381776 362366918 /nfs/dbraw/zinc/36/69/18/362366918.db2.gz YQRDYFIHOYXKNB-GFCCVEGCSA-N 0 3 304.309 2.152 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000614876523 362480871 /nfs/dbraw/zinc/48/08/71/362480871.db2.gz ZABWKJFWEQAXMP-FUHWJXTLSA-N 0 3 320.433 2.130 20 30 DEEDHN CC1(C)CN(C[C@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000083416015 192370260 /nfs/dbraw/zinc/37/02/60/192370260.db2.gz AXYSQDOUDGNCGQ-AWEZNQCLSA-N 0 3 306.431 2.125 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](C#N)C2CC2)CC1 ZINC000108831587 185535210 /nfs/dbraw/zinc/53/52/10/185535210.db2.gz GNQYKLCADPRMRN-ZDUSSCGKSA-N 0 3 307.394 2.052 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)N2CC[C@@](F)(C#N)C2)c1 ZINC000615526890 362627661 /nfs/dbraw/zinc/62/76/61/362627661.db2.gz FJRHVCSIGXKKRG-MRXNPFEDSA-N 0 3 320.368 2.096 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 ZINC000615539248 362633709 /nfs/dbraw/zinc/63/37/09/362633709.db2.gz IRUCAEDTXCCXCZ-RHSMWYFYSA-N 0 3 318.396 2.154 20 30 DEEDHN C#CCOc1cccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272714527 210120486 /nfs/dbraw/zinc/12/04/86/210120486.db2.gz LHBZPBWDHQSTQZ-AWEZNQCLSA-N 0 3 313.401 2.471 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000615794509 362704148 /nfs/dbraw/zinc/70/41/48/362704148.db2.gz DUTDCDCBQQSONO-BZUAXINKSA-N 0 3 319.449 2.076 20 30 DEEDHN Cn1cc(CN2C[C@@H](O)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000279643536 215026662 /nfs/dbraw/zinc/02/66/62/215026662.db2.gz BAFRQGSQFOJLDO-MRXNPFEDSA-N 0 3 310.401 2.161 20 30 DEEDHN C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1=CCN(C)CC1 ZINC000272634980 210038235 /nfs/dbraw/zinc/03/82/35/210038235.db2.gz BDKRDDLKDUQDMM-NSHDSACASA-N 0 3 302.353 2.469 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000152393563 186067927 /nfs/dbraw/zinc/06/79/27/186067927.db2.gz XNDLDVLPFLXOPW-BRWVUGGUSA-N 0 3 321.465 2.284 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(OC)cc2C)CC1 ZINC000186032698 186233478 /nfs/dbraw/zinc/23/34/78/186233478.db2.gz NVPDCHNLRWCUQR-UHFFFAOYSA-N 0 3 304.365 2.426 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000268751174 186378161 /nfs/dbraw/zinc/37/81/61/186378161.db2.gz SOQPLBHKDMUJSI-MOPGFXCFSA-N 0 3 308.381 2.183 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000171739390 197978026 /nfs/dbraw/zinc/97/80/26/197978026.db2.gz XVHAMEGBNMOQSY-UHFFFAOYSA-N 0 3 319.405 2.476 20 30 DEEDHN CCc1cc(N2CCC[C@H](NCc3ccc(C#N)o3)C2)ncn1 ZINC000174383907 198327331 /nfs/dbraw/zinc/32/73/31/198327331.db2.gz NUAORVRCBNVQJO-AWEZNQCLSA-N 0 3 311.389 2.262 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000046863415 354294213 /nfs/dbraw/zinc/29/42/13/354294213.db2.gz JBLMFJPPUCQBFU-LSDHHAIUSA-N 0 3 315.417 2.174 20 30 DEEDHN N#Cc1ccc(CNCc2ccc(N3CCOCC3)nc2)cc1 ZINC000048710301 354354770 /nfs/dbraw/zinc/35/47/70/354354770.db2.gz ZOIIHPLFSBNCHB-UHFFFAOYSA-N 0 3 308.385 2.080 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCCCc1ccccc1 ZINC000053083814 354422125 /nfs/dbraw/zinc/42/21/25/354422125.db2.gz GDYKBGHFRHHICH-OAHLLOKOSA-N 0 3 317.433 2.341 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066161512 354702708 /nfs/dbraw/zinc/70/27/08/354702708.db2.gz IFNVPDIEFAFUEQ-CQSZACIVSA-N 0 3 314.389 2.269 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 ZINC000067204338 354752914 /nfs/dbraw/zinc/75/29/14/354752914.db2.gz QYBZCNLQNSOMAN-UHFFFAOYSA-N 0 3 322.412 2.215 20 30 DEEDHN N#CC1(CCCN2CCS[C@H]3COCC[C@@H]32)CCOCC1 ZINC000369198407 283044118 /nfs/dbraw/zinc/04/41/18/283044118.db2.gz OGAVDXGVFSOOEC-GJZGRUSLSA-N 0 3 310.463 2.293 20 30 DEEDHN CC(C)N(CCC#N)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000073227353 354949680 /nfs/dbraw/zinc/94/96/80/354949680.db2.gz DIEMUHARLSCNFQ-UHFFFAOYSA-N 0 3 307.438 2.172 20 30 DEEDHN COCCN1CCC[C@@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000077218329 355189904 /nfs/dbraw/zinc/18/99/04/355189904.db2.gz UEOSKYFLIAKSPG-CYBMUJFWSA-N 0 3 311.389 2.024 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCCOc2cccnc2)CC1 ZINC000080079769 355345744 /nfs/dbraw/zinc/34/57/44/355345744.db2.gz FEIOOQBXOQEEFV-UHFFFAOYSA-N 0 3 317.433 2.397 20 30 DEEDHN CS(=O)(=O)N1CCC(N[C@H](CCC#N)c2ccccc2)CC1 ZINC000090664990 355566257 /nfs/dbraw/zinc/56/62/57/355566257.db2.gz BDVUOMYVPAWHMM-MRXNPFEDSA-N 0 3 321.446 2.045 20 30 DEEDHN CCCN1CC[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000595600007 358497211 /nfs/dbraw/zinc/49/72/11/358497211.db2.gz FGGCIYDCAYKCKF-AWEZNQCLSA-N 0 3 320.824 2.495 20 30 DEEDHN CC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)Cc2ccccc2C1 ZINC000093899839 355690804 /nfs/dbraw/zinc/69/08/04/355690804.db2.gz LPALKCROOADZJD-GOSISDBHSA-N 0 3 319.408 2.479 20 30 DEEDHN CN(C)CCn1cc(NC(=O)c2ccc(C#N)c(Cl)c2)cn1 ZINC000155923939 355950013 /nfs/dbraw/zinc/95/00/13/355950013.db2.gz GSLUGYQMDOIRPI-UHFFFAOYSA-N 0 3 317.780 2.222 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NCc1ccccc1 ZINC000180508257 356052376 /nfs/dbraw/zinc/05/23/76/356052376.db2.gz DMHFBAXPWNIVDG-CQSZACIVSA-N 0 3 304.353 2.497 20 30 DEEDHN COCCO[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000179342239 356022073 /nfs/dbraw/zinc/02/20/73/356022073.db2.gz DRDBYXBHFFLUAB-QGZVFWFLSA-N 0 3 304.390 2.064 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000182351174 356123057 /nfs/dbraw/zinc/12/30/57/356123057.db2.gz ZMNSYVZBTOTHDR-QWHCGFSZSA-N 0 3 306.435 2.344 20 30 DEEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000182368105 356124007 /nfs/dbraw/zinc/12/40/07/356124007.db2.gz HQTFTIPFDMVNME-VBNZEHGJSA-N 0 3 301.390 2.432 20 30 DEEDHN COc1cccc(COC[C@@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000595609842 358500350 /nfs/dbraw/zinc/50/03/50/358500350.db2.gz PXZQCNFPRVAVOT-WBVHZDCISA-N 0 3 318.417 2.198 20 30 DEEDHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595608879 358500631 /nfs/dbraw/zinc/50/06/31/358500631.db2.gz AVUMJBKBSNFFKT-CVEARBPZSA-N 0 3 318.417 2.451 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000182772212 356144796 /nfs/dbraw/zinc/14/47/96/356144796.db2.gz NNAYODWIIAJFNP-AWEZNQCLSA-N 0 3 302.422 2.356 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2cccc3c2OCO3)CC1 ZINC000184429859 356191094 /nfs/dbraw/zinc/19/10/94/356191094.db2.gz YLKBRHIAEJBHNC-UHFFFAOYSA-N 0 3 316.401 2.115 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000194867895 356245697 /nfs/dbraw/zinc/24/56/97/356245697.db2.gz MBXBKVRVLNIOTF-GOSISDBHSA-N 0 3 324.465 2.322 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CC2)cc1 ZINC000287382756 356372755 /nfs/dbraw/zinc/37/27/55/356372755.db2.gz RPRBXJJNPVCNCM-LLVKDONJSA-N 0 3 321.402 2.294 20 30 DEEDHN N#CC[C@H]1CCCN(CCOCCN2CCC[C@@H](CC#N)C2)C1 ZINC000595620390 358504223 /nfs/dbraw/zinc/50/42/23/358504223.db2.gz NBECQWXKIXTPJG-HDICACEKSA-N 0 3 318.465 2.254 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCSC[C@H]2C2CC2)cc1 ZINC000451652429 283182962 /nfs/dbraw/zinc/18/29/62/283182962.db2.gz YXEUQYZUMFVTRG-WBVHZDCISA-N 0 3 318.442 2.125 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000177994761 198800742 /nfs/dbraw/zinc/80/07/42/198800742.db2.gz MZURPKTZAANDMP-UHFFFAOYSA-N 0 3 322.840 2.227 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578728032 356861650 /nfs/dbraw/zinc/86/16/50/356861650.db2.gz WRPNPEYNQOPICH-CZUORRHYSA-N 0 3 301.390 2.393 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cnccc2C#N)C1 ZINC000588757132 357421305 /nfs/dbraw/zinc/42/13/05/357421305.db2.gz VZWFCFGYTZDQDS-KRWDZBQOSA-N 0 3 320.396 2.300 20 30 DEEDHN N#CCN1CCC(N[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000589945422 357507029 /nfs/dbraw/zinc/50/70/29/357507029.db2.gz DARITMVCLDYXNA-OAHLLOKOSA-N 0 3 302.426 2.004 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2cccc(C#N)n2)cc1 ZINC000589328016 357464357 /nfs/dbraw/zinc/46/43/57/357464357.db2.gz ZCERNCWQQMFCKA-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN Cc1cc(NC(=O)c2cccc(C#N)n2)ccc1OCCN(C)C ZINC000590920470 357643650 /nfs/dbraw/zinc/64/36/50/357643650.db2.gz XHZANSWMINQOFB-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000590944678 357649230 /nfs/dbraw/zinc/64/92/30/357649230.db2.gz GNPFLOFDTUCNFL-MRXNPFEDSA-N 0 3 322.497 2.009 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(OC(C)(C)C)cc1 ZINC000591241455 357694006 /nfs/dbraw/zinc/69/40/06/357694006.db2.gz USKJHPSNZPICRF-INIZCTEOSA-N 0 3 319.449 2.160 20 30 DEEDHN CN(CCC(=O)NCc1ccc(C#N)s1)c1ccncc1 ZINC000591535459 357733882 /nfs/dbraw/zinc/73/38/82/357733882.db2.gz XQBKXLPDYFWYKU-UHFFFAOYSA-N 0 3 300.387 2.157 20 30 DEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1Cl ZINC000591573371 357736678 /nfs/dbraw/zinc/73/66/78/357736678.db2.gz QBICSLQTHHXACH-HZPDHXFCSA-N 0 3 305.809 2.068 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000179218969 199000647 /nfs/dbraw/zinc/00/06/47/199000647.db2.gz CLZFTAWCVDUQCF-GFCCVEGCSA-N 0 3 320.437 2.345 20 30 DEEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000592507968 357890367 /nfs/dbraw/zinc/89/03/67/357890367.db2.gz KSFFAFJREQFFNC-JKSUJKDBSA-N 0 3 313.405 2.284 20 30 DEEDHN N#Cc1cnn2cc(CNCCC3Cc4ccccc4C3)cnc12 ZINC000592508080 357890382 /nfs/dbraw/zinc/89/03/82/357890382.db2.gz PAYNRGVJOYYLLR-UHFFFAOYSA-N 0 3 317.396 2.496 20 30 DEEDHN N#Cc1cnccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593055503 357997274 /nfs/dbraw/zinc/99/72/74/357997274.db2.gz KWODWJQQEYKATG-WDEREUQCSA-N 0 3 313.279 2.061 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1C1CC1 ZINC000593130968 358018492 /nfs/dbraw/zinc/01/84/92/358018492.db2.gz QBHGOZYNXDAFFW-JKSUJKDBSA-N 0 3 314.385 2.198 20 30 DEEDHN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CC1CCN(C)CC1 ZINC000593845959 358156756 /nfs/dbraw/zinc/15/67/56/358156756.db2.gz PEMMYZAZXYJARL-UHFFFAOYSA-N 0 3 311.389 2.413 20 30 DEEDHN CCC(C)(C)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000594021539 358191238 /nfs/dbraw/zinc/19/12/38/358191238.db2.gz UMZXBCFOUSCKSR-UHFFFAOYSA-N 0 3 320.481 2.135 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000594429734 358267754 /nfs/dbraw/zinc/26/77/54/358267754.db2.gz VZYKVKFBFABDBV-HNNXBMFYSA-N 0 3 303.381 2.385 20 30 DEEDHN C=CCC[C@@H](NC1CCN(C[C@H]2CCCO2)CC1)C(=O)OCC ZINC000594610019 358305245 /nfs/dbraw/zinc/30/52/45/358305245.db2.gz RLBIOJBRVQCRAX-IAGOWNOFSA-N 0 3 324.465 2.117 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(Cl)c(Cl)c1 ZINC000594732441 358327531 /nfs/dbraw/zinc/32/75/31/358327531.db2.gz KVMFKZAUADEWAN-GFCCVEGCSA-N 0 3 316.232 2.289 20 30 DEEDHN C=CCCSCCNCc1cccc(NS(C)(=O)=O)c1 ZINC000594960350 358368418 /nfs/dbraw/zinc/36/84/18/358368418.db2.gz ORJBVWSOFDKJFD-UHFFFAOYSA-N 0 3 314.476 2.457 20 30 DEEDHN COc1cc(CNCC(C)(C)[C@]2(O)CCCOC2)ccc1C#N ZINC000594995328 358375318 /nfs/dbraw/zinc/37/53/18/358375318.db2.gz ICWIAYQCVZAQMG-SFHVURJKSA-N 0 3 318.417 2.224 20 30 DEEDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1ccc(C#N)cc1 ZINC000595058140 358385068 /nfs/dbraw/zinc/38/50/68/358385068.db2.gz YPKWUIWQYZDKJE-CVEARBPZSA-N 0 3 306.431 2.046 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCCc1ccc(C#N)cc1 ZINC000595686380 358522457 /nfs/dbraw/zinc/52/24/57/358522457.db2.gz YLCXPGMEEYDGLW-UHFFFAOYSA-N 0 3 314.433 2.084 20 30 DEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1cc(C#N)ccc1F ZINC000595898606 358575671 /nfs/dbraw/zinc/57/56/71/358575671.db2.gz KFZGKDBDEQOGRS-GUYJKWIASA-N 0 3 302.349 2.375 20 30 DEEDHN C[C@@H]1CN(c2cc(C#N)cnn2)[C@@H](C)CN1Cc1ccccc1 ZINC000596176359 358630203 /nfs/dbraw/zinc/63/02/03/358630203.db2.gz DXDBQPUCXUUOLH-CABCVRRESA-N 0 3 307.401 2.447 20 30 DEEDHN CC[C@@H]1CN(c2cc(C#N)cnn2)CCN1Cc1ccccc1 ZINC000596192733 358635785 /nfs/dbraw/zinc/63/57/85/358635785.db2.gz VLMGWEQUKXBVNT-QGZVFWFLSA-N 0 3 307.401 2.449 20 30 DEEDHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](N)CCCC#N)CC3 ZINC000595970784 358587988 /nfs/dbraw/zinc/58/79/88/358587988.db2.gz NRGPWRVQMPADNO-OAHLLOKOSA-N 0 3 310.401 2.382 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618842255 363614907 /nfs/dbraw/zinc/61/49/07/363614907.db2.gz KJFORIPQVAMWJY-QGZVFWFLSA-N 0 3 312.417 2.281 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CCCCC1 ZINC000627268588 366495030 /nfs/dbraw/zinc/49/50/30/366495030.db2.gz FORLZJSPIJTDRQ-CVEARBPZSA-N 0 3 306.450 2.181 20 30 DEEDHN COc1ccnc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000597425108 358913793 /nfs/dbraw/zinc/91/37/93/358913793.db2.gz CPPZXONESWWANZ-HNNXBMFYSA-N 0 3 309.369 2.479 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)[C@H]2C1 ZINC000597484674 358930232 /nfs/dbraw/zinc/93/02/32/358930232.db2.gz PVJDJMKRBKJVAL-BMIGLBTASA-N 0 3 305.328 2.003 20 30 DEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc(F)c1C#N)C2 ZINC000597709958 358984430 /nfs/dbraw/zinc/98/44/30/358984430.db2.gz FFWWEFCCSGVTTB-KRWDZBQOSA-N 0 3 301.365 2.255 20 30 DEEDHN CCCCCNC(=O)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590785 359253932 /nfs/dbraw/zinc/25/39/32/359253932.db2.gz XBLOZOWIHHOVRA-INIZCTEOSA-N 0 3 323.481 2.306 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000598723491 359306332 /nfs/dbraw/zinc/30/63/32/359306332.db2.gz IJNWVOBYIWYADH-HZPDHXFCSA-N 0 3 321.465 2.200 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000598608212 359260140 /nfs/dbraw/zinc/26/01/40/359260140.db2.gz UEBIIUOCNODSGU-GJZGRUSLSA-N 0 3 316.449 2.309 20 30 DEEDHN COc1c(C)cnc(CN(C)C[C@@H](O)CC(C)(C)C#N)c1C ZINC000598619093 359262653 /nfs/dbraw/zinc/26/26/53/359262653.db2.gz ACEUUYGVGQDANM-AWEZNQCLSA-N 0 3 305.422 2.440 20 30 DEEDHN N#Cc1csc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC000599002303 359379438 /nfs/dbraw/zinc/37/94/38/359379438.db2.gz MCYIASJFYUOTMS-HIFRSBDPSA-N 0 3 301.371 2.340 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000428057765 237075516 /nfs/dbraw/zinc/07/55/16/237075516.db2.gz DKPVCZRBISDMJM-ZYHUDNBSSA-N 0 3 322.206 2.304 20 30 DEEDHN N#CCSCCCN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599396094 359488221 /nfs/dbraw/zinc/48/82/21/359488221.db2.gz QFMJXEGOLNNBCE-QGZVFWFLSA-N 0 3 320.458 2.287 20 30 DEEDHN COC(=O)[C@H]1CN(C[C@H](O)CC(C)(C)C#N)Cc2ccccc21 ZINC000599684162 359571114 /nfs/dbraw/zinc/57/11/14/359571114.db2.gz UGUOBAPKLVZJCJ-ZBFHGGJFSA-N 0 3 316.401 2.060 20 30 DEEDHN Cn1cc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1C#N ZINC000428541075 237185544 /nfs/dbraw/zinc/18/55/44/237185544.db2.gz OWAPHJZIZYLWKM-ROUUACIJSA-N 0 3 313.376 2.292 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(CCCc3ccncc3)C2)nc1 ZINC000428800553 237250932 /nfs/dbraw/zinc/25/09/32/237250932.db2.gz GTCJEUKELYPWMN-KRWDZBQOSA-N 0 3 308.385 2.434 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000600364440 359728136 /nfs/dbraw/zinc/72/81/36/359728136.db2.gz IXSUQTRILUVKGR-YESZJQIVSA-N 0 3 309.369 2.020 20 30 DEEDHN CC[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccncc1 ZINC000600722793 359811265 /nfs/dbraw/zinc/81/12/65/359811265.db2.gz ITHNGJUJCQAIKO-DLBZAZTESA-N 0 3 311.385 2.434 20 30 DEEDHN N#CCCCOc1cccc(CNC[C@H]2CCCC(=O)N2)c1 ZINC000433192624 237572361 /nfs/dbraw/zinc/57/23/61/237572361.db2.gz HDUPHECDJJPNHR-OAHLLOKOSA-N 0 3 301.390 2.127 20 30 DEEDHN Cc1ncc([C@H](C)NC[C@@H](O)COc2ccccc2C#N)s1 ZINC000601968912 360212974 /nfs/dbraw/zinc/21/29/74/360212974.db2.gz OKPWWANHHIMRIU-SMDDNHRTSA-N 0 3 317.414 2.414 20 30 DEEDHN COC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)n1C ZINC000602016632 360241668 /nfs/dbraw/zinc/24/16/68/360241668.db2.gz HYTFXONSACWPAK-INIZCTEOSA-N 0 3 309.369 2.460 20 30 DEEDHN N#Cc1ccnc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000602314736 360338644 /nfs/dbraw/zinc/33/86/44/360338644.db2.gz GBABXCNFDXEBOB-INIZCTEOSA-N 0 3 306.369 2.414 20 30 DEEDHN N#Cc1cccc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000602351706 360347514 /nfs/dbraw/zinc/34/75/14/360347514.db2.gz JBEJEAHBMZPTFF-OAHLLOKOSA-N 0 3 306.369 2.414 20 30 DEEDHN CCC[C@@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)OC ZINC000602431046 360369482 /nfs/dbraw/zinc/36/94/82/360369482.db2.gz BHAXELQEICOFEU-SFHVURJKSA-N 0 3 301.434 2.491 20 30 DEEDHN N#CC1(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC2(CC2)C1 ZINC000602522805 360416599 /nfs/dbraw/zinc/41/65/99/360416599.db2.gz XJJJOIQTIYIZPI-OAHLLOKOSA-N 0 3 311.385 2.370 20 30 DEEDHN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)[C@@H](N)CCCC#N ZINC000602549034 360428511 /nfs/dbraw/zinc/42/85/11/360428511.db2.gz BBGTWBVYVZKKEU-HNNXBMFYSA-N 0 3 316.380 2.295 20 30 DEEDHN CC[C@H](NCC1(CC#N)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000602803726 360563402 /nfs/dbraw/zinc/56/34/02/360563402.db2.gz DARIYLPHDUJOHW-AWEZNQCLSA-N 0 3 307.419 2.069 20 30 DEEDHN N#Cc1cccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1F ZINC000602893364 360614543 /nfs/dbraw/zinc/61/45/43/360614543.db2.gz UZWOHISDBHRXSJ-DOTOQJQBSA-N 0 3 318.392 2.497 20 30 DEEDHN Cc1ncc(CNC(=O)CCN2CCC[C@H](CC#N)C2)s1 ZINC000602884644 360608953 /nfs/dbraw/zinc/60/89/53/360608953.db2.gz QAUMKILCQVFQJE-CYBMUJFWSA-N 0 3 306.435 2.084 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cn2)CCO1 ZINC000442710517 238066102 /nfs/dbraw/zinc/06/61/02/238066102.db2.gz QBEKXTKSSWCRDH-IJEWVQPXSA-N 0 3 300.406 2.089 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000668967885 540759558 /nfs/dbraw/zinc/75/95/58/540759558.db2.gz KOGAKOAHCKPENR-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@@H]1N(C)C ZINC000603071534 360689720 /nfs/dbraw/zinc/68/97/20/360689720.db2.gz BLVLQYFZKQSHHB-KBPBESRZSA-N 0 3 322.409 2.207 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000669150247 540789848 /nfs/dbraw/zinc/78/98/48/540789848.db2.gz PVFYXNWMBZCHJZ-BJJXKVORSA-N 0 3 308.447 2.184 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccnc(C#N)c1 ZINC000603126596 360711395 /nfs/dbraw/zinc/71/13/95/360711395.db2.gz GBVLSIJUXMBMBU-UHFFFAOYSA-N 0 3 313.361 2.142 20 30 DEEDHN COCc1cc(C#N)ccc1N1CCN(C2CCOCC2)CC1 ZINC000603302582 360784476 /nfs/dbraw/zinc/78/44/76/360784476.db2.gz CPSHFQWKHQXMCC-UHFFFAOYSA-N 0 3 315.417 2.006 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(CN(C)C)c1 ZINC000603658879 360852521 /nfs/dbraw/zinc/85/25/21/360852521.db2.gz KXAPBSQKBLBJJE-KRWDZBQOSA-N 0 3 302.422 2.215 20 30 DEEDHN C=C[C@H](CC(=O)N1CCC[C@@](O)(CN(C)C)C1)c1ccccc1 ZINC000670378394 540927911 /nfs/dbraw/zinc/92/79/11/540927911.db2.gz YLCYWWJRBNOURH-VQIMIIECSA-N 0 3 316.445 2.261 20 30 DEEDHN Cc1cn2c(CNC3CCN(CC#N)CC3)c(C)nc2s1 ZINC000609334741 361303112 /nfs/dbraw/zinc/30/31/12/361303112.db2.gz DZLIBYXWLPSBPE-UHFFFAOYSA-N 0 3 303.435 2.090 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(C(F)F)CC2)cc1 ZINC000610826307 361473575 /nfs/dbraw/zinc/47/35/75/361473575.db2.gz RHRRVJUMAWPPOM-OAHLLOKOSA-N 0 3 324.371 2.469 20 30 DEEDHN CC(C)(C#N)c1ccccc1CN1CCN(C(C)(C)CO)CC1 ZINC000610859589 361479053 /nfs/dbraw/zinc/47/90/53/361479053.db2.gz UBVQTYGXEYKHBS-UHFFFAOYSA-N 0 3 315.461 2.376 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000610933421 361495053 /nfs/dbraw/zinc/49/50/53/361495053.db2.gz JYUUXEAQHGBQMU-XJKSGUPXSA-N 0 3 309.413 2.331 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(C#N)cc1 ZINC000610719116 361452384 /nfs/dbraw/zinc/45/23/84/361452384.db2.gz DSKGECSOKUAVSO-INIZCTEOSA-N 0 3 300.406 2.232 20 30 DEEDHN Cc1sc(NC(=O)CNC2(CO)CCCCC2)c(C#N)c1C ZINC000611462898 361603269 /nfs/dbraw/zinc/60/32/69/361603269.db2.gz IDADASJRLJALBF-UHFFFAOYSA-N 0 3 321.446 2.460 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C(N)=O)nc1 ZINC000611393993 361590706 /nfs/dbraw/zinc/59/07/06/361590706.db2.gz WJDMRUDOYZBWHB-MRXNPFEDSA-N 0 3 306.369 2.219 20 30 DEEDHN C=CCCOCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000620189062 363987196 /nfs/dbraw/zinc/98/71/96/363987196.db2.gz OGOREPINHQFFTI-UHFFFAOYSA-N 0 3 316.445 2.402 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621156483 364285169 /nfs/dbraw/zinc/28/51/69/364285169.db2.gz APELZAQPOZKOPN-MRXNPFEDSA-N 0 3 318.417 2.330 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C(C)(C)c1c[nH]cn1)C(C)C ZINC001422139211 1172336463 /nfs/dbraw/zinc/33/64/63/1172336463.db2.gz YWTCHMKQFQOTAK-GFCCVEGCSA-N 0 3 312.845 2.170 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)cc1 ZINC000274961532 212044699 /nfs/dbraw/zinc/04/46/99/212044699.db2.gz UQFAHZJHEVOYMW-SQNIBIBYSA-N 0 3 303.402 2.371 20 30 DEEDHN CN1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000264702019 204087265 /nfs/dbraw/zinc/08/72/65/204087265.db2.gz AAQVFQCUXAFEHN-UHFFFAOYSA-N 0 3 315.417 2.271 20 30 DEEDHN C#CCCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000264947758 204294874 /nfs/dbraw/zinc/29/48/74/204294874.db2.gz ARRVZRCASCJMLM-KRWDZBQOSA-N 0 3 315.417 2.155 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](COC)C1)C(C)C ZINC000265966722 205004980 /nfs/dbraw/zinc/00/49/80/205004980.db2.gz SMQYNKHRFOUTAY-IAGOWNOFSA-N 0 3 323.481 2.363 20 30 DEEDHN C=CCOCCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000679629672 541885300 /nfs/dbraw/zinc/88/53/00/541885300.db2.gz CGHNRGXJWRLURK-UHFFFAOYSA-N 0 3 319.449 2.399 20 30 DEEDHN C=CCCSCCNC(=O)c1cccc2c1OCCNC2 ZINC001354247482 1151879896 /nfs/dbraw/zinc/87/98/96/1151879896.db2.gz NAWWRIFWIINRCN-UHFFFAOYSA-N 0 3 306.431 2.208 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)cn2)CC1 ZINC000680235760 541969299 /nfs/dbraw/zinc/96/92/99/541969299.db2.gz SYGMIYUUHXWIRY-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccnn1CC)C(C)C ZINC000681263543 542121500 /nfs/dbraw/zinc/12/15/00/542121500.db2.gz YXIHIAMIGDTLLG-INIZCTEOSA-N 0 3 304.438 2.331 20 30 DEEDHN Cc1cc(NC(=O)c2ccc(C#N)[nH]2)ccc1OCCN(C)C ZINC000458186929 248190648 /nfs/dbraw/zinc/19/06/48/248190648.db2.gz AJJGOGSLBWEWRF-UHFFFAOYSA-N 0 3 312.373 2.388 20 30 DEEDHN N#Cc1ccc([C@@H](NCCC2Cc3ccccc3C2)C(N)=O)cc1 ZINC000159721589 291657776 /nfs/dbraw/zinc/65/77/76/291657776.db2.gz DRYXEXAMMPIKGD-LJQANCHMSA-N 0 3 319.408 2.479 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C/[C@@H]1CCOC1)C(C)C ZINC000492961909 249182522 /nfs/dbraw/zinc/18/25/22/249182522.db2.gz OWEVZOXQSNWGFP-NXVGNOFTSA-N 0 3 306.450 2.394 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000493262294 249262956 /nfs/dbraw/zinc/26/29/56/249262956.db2.gz PZRJACLHYMXONJ-JXMROGBWSA-N 0 3 301.390 2.059 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000274076857 211334134 /nfs/dbraw/zinc/33/41/34/211334134.db2.gz GKNQHUIIRDLXJZ-QGZVFWFLSA-N 0 3 311.429 2.458 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812770 183531262 /nfs/dbraw/zinc/53/12/62/183531262.db2.gz QEAKCRLTSXGLSV-STQMWFEESA-N 0 3 315.417 2.376 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000106036139 194181575 /nfs/dbraw/zinc/18/15/75/194181575.db2.gz TYLLCAYROQNPRL-UHFFFAOYSA-N 0 3 304.438 2.478 20 30 DEEDHN C[C@H](NCCN1CCOCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000271911957 209318486 /nfs/dbraw/zinc/31/84/86/209318486.db2.gz BBKNTTVUICKRPE-ZDUSSCGKSA-N 0 3 305.397 2.459 20 30 DEEDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269126181 207260432 /nfs/dbraw/zinc/26/04/32/207260432.db2.gz KMSOYENCYKALFM-GFCCVEGCSA-N 0 3 322.796 2.054 20 30 DEEDHN C=CCN1CCC(NC(=O)c2csc(NC3CC3)n2)CC1 ZINC000269202382 207321454 /nfs/dbraw/zinc/32/14/54/207321454.db2.gz IAZYKYGRLAPEEV-UHFFFAOYSA-N 0 3 306.435 2.098 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(OC)cc2)CC1 ZINC000492854699 533047196 /nfs/dbraw/zinc/04/71/96/533047196.db2.gz FFWABQSRHKKWNQ-YFHOEESVSA-N 0 3 312.413 2.312 20 30 DEEDHN Cc1cc(C#N)nc(NCc2ccc(OCCN(C)C)cc2)n1 ZINC000286527448 219037593 /nfs/dbraw/zinc/03/75/93/219037593.db2.gz XXJDQMSIWJBZPS-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000491669488 533103897 /nfs/dbraw/zinc/10/38/97/533103897.db2.gz UJFOCRKXSGRPIT-STQMWFEESA-N 0 3 319.371 2.314 20 30 DEEDHN C=C[C@H](C)NC[C@@H](O)COc1cccc(Br)c1 ZINC000158227367 197255234 /nfs/dbraw/zinc/25/52/34/197255234.db2.gz KSNLRFYBDZMHMU-CMPLNLGQSA-N 0 3 300.196 2.353 20 30 DEEDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000245723957 533140683 /nfs/dbraw/zinc/14/06/83/533140683.db2.gz IKXGPEJFGWWOFJ-GUYCJALGSA-N 0 3 302.374 2.362 20 30 DEEDHN C#CCN1CCC(C(=O)NCCC2CC(OC(C)(C)C)C2)CC1 ZINC000491637800 533149078 /nfs/dbraw/zinc/14/90/78/533149078.db2.gz YNTDSFWJOSPHQU-UHFFFAOYSA-N 0 3 320.477 2.432 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[nH]1 ZINC000155580118 197069285 /nfs/dbraw/zinc/06/92/85/197069285.db2.gz BCESHUBAQQDZIW-KRWDZBQOSA-N 0 3 308.385 2.453 20 30 DEEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cnn(C)c1 ZINC000542575152 285234806 /nfs/dbraw/zinc/23/48/06/285234806.db2.gz ZSWDKKNJLAVQEQ-SNVBAGLBSA-N 0 3 303.391 2.033 20 30 DEEDHN COC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000180004063 285242444 /nfs/dbraw/zinc/24/24/44/285242444.db2.gz JIPULWCKGNOFOT-DLBZAZTESA-N 0 3 313.401 2.068 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000120388250 195156443 /nfs/dbraw/zinc/15/64/43/195156443.db2.gz VMTCNUBDFOPJIC-PBHICJAKSA-N 0 3 312.413 2.013 20 30 DEEDHN C=CCOc1ccc(CNC[C@@](C)(O)CSC)cc1OC ZINC000120619776 195202617 /nfs/dbraw/zinc/20/26/17/195202617.db2.gz XGPWCKDJGKWWLJ-MRXNPFEDSA-N 0 3 311.447 2.464 20 30 DEEDHN COC(=O)[C@H](C)CN(Cc1ccc(C#N)cc1OC)C1CC1 ZINC000120800306 195239382 /nfs/dbraw/zinc/23/93/82/195239382.db2.gz PCDMCEJEUWPSQC-GFCCVEGCSA-N 0 3 302.374 2.340 20 30 DEEDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330920676 533211616 /nfs/dbraw/zinc/21/16/16/533211616.db2.gz ZXBBAYIHMVIKSX-GHMZBOCLSA-N 0 3 307.350 2.391 20 30 DEEDHN CC[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289995016 221367985 /nfs/dbraw/zinc/36/79/85/221367985.db2.gz RJYHJWOVTXTCGO-HUUCEWRRSA-N 0 3 321.446 2.285 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(c3cccc(OC)c3)CC2)CC1 ZINC000122010284 195389532 /nfs/dbraw/zinc/38/95/32/195389532.db2.gz MABRKJRQZQFVPC-UHFFFAOYSA-N 0 3 312.413 2.146 20 30 DEEDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000427943359 533539965 /nfs/dbraw/zinc/53/99/65/533539965.db2.gz AZEUHBKUGQGLJA-JTQLQIEISA-N 0 3 315.826 2.007 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000355333740 133018522 /nfs/dbraw/zinc/01/85/22/133018522.db2.gz COUWFGHEFUNWER-VNHYZAJKSA-N 0 3 301.390 2.290 20 30 DEEDHN C=CCCCN1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000117872573 134644265 /nfs/dbraw/zinc/64/42/65/134644265.db2.gz SSSLYFVADOTEOA-UHFFFAOYSA-N 0 3 303.406 2.347 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1nnc2n1CCCCC2 ZINC000329878447 404479521 /nfs/dbraw/zinc/47/95/21/404479521.db2.gz KTZQLGYWTFLBBP-CHWSQXEVSA-N 0 3 305.426 2.334 20 30 DEEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000188265808 145009292 /nfs/dbraw/zinc/00/92/92/145009292.db2.gz VQAWVNBDANKAHZ-UHFFFAOYSA-N 0 3 321.446 2.055 20 30 DEEDHN Cn1cc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1C#N ZINC000191328715 145056416 /nfs/dbraw/zinc/05/64/16/145056416.db2.gz ZHXWEXHRUDLVAE-INIZCTEOSA-N 0 3 314.433 2.168 20 30 DEEDHN N#Cc1ccccc1OCCN1CCS[C@H]2COCC[C@H]21 ZINC000246979165 145121668 /nfs/dbraw/zinc/12/16/68/145121668.db2.gz OUVWKXNRRAZYQV-ZBFHGGJFSA-N 0 3 304.415 2.143 20 30 DEEDHN N#Cc1ccc(OCCN2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000346477892 146088803 /nfs/dbraw/zinc/08/88/03/146088803.db2.gz FKAGOYIAWZRWSE-SFHVURJKSA-N 0 3 309.369 2.485 20 30 DEEDHN C[C@@H](CO)N(CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000347192911 146208508 /nfs/dbraw/zinc/20/85/08/146208508.db2.gz IIYNERAVMPDSHF-ZDUSSCGKSA-N 0 3 301.390 2.122 20 30 DEEDHN COC(=O)c1ccc(NC[C@@H](C)N2CCCC[C@@H]2C)c(C#N)n1 ZINC000565315331 292154833 /nfs/dbraw/zinc/15/48/33/292154833.db2.gz UCOPGRFXFOLMOI-QWHCGFSZSA-N 0 3 316.405 2.415 20 30 DEEDHN CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)N1CCc2ccccc2C1 ZINC000359032875 147250329 /nfs/dbraw/zinc/25/03/29/147250329.db2.gz DJIQYGNSSHMGDA-QGZVFWFLSA-N 0 3 322.412 2.453 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000127133754 401721835 /nfs/dbraw/zinc/72/18/35/401721835.db2.gz LGOKPHDFZVWBPB-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN N#Cc1ccccc1OCCN1CCC(C2OCCO2)CC1 ZINC000110458060 401690964 /nfs/dbraw/zinc/69/09/64/401690964.db2.gz BZVQHUJFDBHKQD-UHFFFAOYSA-N 0 3 302.374 2.022 20 30 DEEDHN C=CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000111260069 401704840 /nfs/dbraw/zinc/70/48/40/401704840.db2.gz GOWVFNKRDWGTML-HNNXBMFYSA-N 0 3 306.362 2.233 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2)CC1 ZINC000073216063 401716886 /nfs/dbraw/zinc/71/68/86/401716886.db2.gz CQACSHHBAAURQT-OAHLLOKOSA-N 0 3 317.433 2.404 20 30 DEEDHN C[C@@H](CC#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111587089 401717920 /nfs/dbraw/zinc/71/79/20/401717920.db2.gz YSEXNZTWPQNQQV-INIZCTEOSA-N 0 3 314.433 2.007 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076806482 401800382 /nfs/dbraw/zinc/80/03/82/401800382.db2.gz CXANZIXIJDKJBF-MRXNPFEDSA-N 0 3 317.408 2.452 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCN(C3CCCC3)CC2)cc1 ZINC000027118106 401843654 /nfs/dbraw/zinc/84/36/54/401843654.db2.gz LJZJFLIBCDOKGL-UHFFFAOYSA-N 0 3 312.417 2.057 20 30 DEEDHN CN(C)[C@@H](CNC(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000027580498 401846361 /nfs/dbraw/zinc/84/63/61/401846361.db2.gz OTSRQAVOALVHTG-GOSISDBHSA-N 0 3 307.397 2.461 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCc1cccc(C#N)c1 ZINC000078676573 401861497 /nfs/dbraw/zinc/86/14/97/401861497.db2.gz CLNJVTAITNVYNF-CQSZACIVSA-N 0 3 300.406 2.232 20 30 DEEDHN COc1cc(OC)cc([C@@H](O)CNCc2cccc(C#N)c2)c1 ZINC000118450296 401899215 /nfs/dbraw/zinc/89/92/15/401899215.db2.gz TVNRLPCAXQLWHH-SFHVURJKSA-N 0 3 312.369 2.399 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Sc2ccccn2)CC1 ZINC000084974670 401913066 /nfs/dbraw/zinc/91/30/66/401913066.db2.gz YBSMFZYOGFGPMJ-ZDUSSCGKSA-N 0 3 305.447 2.329 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134929888 401920332 /nfs/dbraw/zinc/92/03/32/401920332.db2.gz IMTSUPOTDXSFNU-SJLPKXTDSA-N 0 3 317.477 2.136 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N(C)CCN2CCCC2)c(C#N)c1C ZINC000089898602 401972105 /nfs/dbraw/zinc/97/21/05/401972105.db2.gz YDEPFDMHNBRMCP-CYBMUJFWSA-N 0 3 318.421 2.123 20 30 DEEDHN CN(Cc1cc(C#N)cs1)CC(C)(C)CN1CCOCC1 ZINC000093769724 402020597 /nfs/dbraw/zinc/02/05/97/402020597.db2.gz DFVSMHDBEDXOHH-UHFFFAOYSA-N 0 3 307.463 2.410 20 30 DEEDHN C=C(C)COCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000121220389 402020913 /nfs/dbraw/zinc/02/09/13/402020913.db2.gz DAQYYROFGNJJDE-UHFFFAOYSA-N 0 3 309.454 2.239 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](CCO)C1 ZINC000051916802 402037616 /nfs/dbraw/zinc/03/76/16/402037616.db2.gz OWNFWTPSYNIDKN-LBPRGKRZSA-N 0 3 307.419 2.043 20 30 DEEDHN CCOC(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000055058839 402074481 /nfs/dbraw/zinc/07/44/81/402074481.db2.gz LATOQVULROMMRH-UHFFFAOYSA-N 0 3 301.390 2.024 20 30 DEEDHN Cc1c(NC(=O)CCN2CCC(C#N)CC2)cccc1[N+](=O)[O-] ZINC000057908124 402097688 /nfs/dbraw/zinc/09/76/88/402097688.db2.gz STFSMGIDZFRHHN-UHFFFAOYSA-N 0 3 316.361 2.467 20 30 DEEDHN N#CC(C(=O)NCc1ccco1)c1nccn1Cc1ccccc1 ZINC000122095572 402061410 /nfs/dbraw/zinc/06/14/10/402061410.db2.gz OVJXFKKIISZISU-MRXNPFEDSA-N 0 3 320.352 2.448 20 30 DEEDHN N#Cc1cc(F)ccc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000097472723 402125539 /nfs/dbraw/zinc/12/55/39/402125539.db2.gz KMBJRFYAWIYOPB-UHFFFAOYSA-N 0 3 302.353 2.446 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-n3ccnc3)c2)CC1 ZINC000067201584 402153984 /nfs/dbraw/zinc/15/39/84/402153984.db2.gz AZXNDRLFPKSRHA-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000123978280 402157688 /nfs/dbraw/zinc/15/76/88/402157688.db2.gz YGUWJRULVAFCFL-CQSZACIVSA-N 0 3 310.438 2.075 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000067204674 402154594 /nfs/dbraw/zinc/15/45/94/402154594.db2.gz LQKQJPCIFSSIQP-GDBMZVCRSA-N 0 3 302.418 2.487 20 30 DEEDHN Cc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000068310364 402192870 /nfs/dbraw/zinc/19/28/70/402192870.db2.gz YDTIXGHQZHIYHA-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN N#Cc1ccc(NCC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000068351846 402195142 /nfs/dbraw/zinc/19/51/42/402195142.db2.gz DBRWWJJHCBQNBL-UHFFFAOYSA-N 0 3 312.417 2.057 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccccc2OCC)CC1 ZINC000067844545 402174784 /nfs/dbraw/zinc/17/47/84/402174784.db2.gz QBMWIWPAMCTXRL-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN CN(C)[C@@H](CNC(=O)N1CCC(C#N)CC1)Cc1ccccc1 ZINC000105082610 402205713 /nfs/dbraw/zinc/20/57/13/402205713.db2.gz HUDVOHOHEKATSZ-QGZVFWFLSA-N 0 3 314.433 2.104 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]([C@@H](C)O)C1)C(C)C ZINC000184852405 402304595 /nfs/dbraw/zinc/30/45/95/402304595.db2.gz WSRNFCWEZSBGGX-IKGGRYGDSA-N 0 3 323.481 2.097 20 30 DEEDHN CN(C)CCN(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000176812761 402340019 /nfs/dbraw/zinc/34/00/19/402340019.db2.gz UWIWRKCKNHDNEE-UHFFFAOYSA-N 0 3 303.406 2.127 20 30 DEEDHN C[C@]1(O)CCCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000230379037 402351484 /nfs/dbraw/zinc/35/14/84/402351484.db2.gz KFTKVPFBKPAXSQ-HNNXBMFYSA-N 0 3 307.419 2.185 20 30 DEEDHN N#CCCCCS(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000176939666 402352620 /nfs/dbraw/zinc/35/26/20/402352620.db2.gz JHXZUSQTFQPHHR-UHFFFAOYSA-N 0 3 313.467 2.007 20 30 DEEDHN Cc1cccc(OC[C@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176955165 402354105 /nfs/dbraw/zinc/35/41/05/402354105.db2.gz LHIJZNDYSWPBCH-CYBMUJFWSA-N 0 3 302.399 2.458 20 30 DEEDHN N#C[C@H]1CCC[C@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1 ZINC000185807087 402378733 /nfs/dbraw/zinc/37/87/33/402378733.db2.gz KHPADZNMQFXIIZ-ZFWWWQNUSA-N 0 3 301.390 2.184 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000162165254 402411462 /nfs/dbraw/zinc/41/14/62/402411462.db2.gz HQNXRZVKQCESHO-MSOLQXFVSA-N 0 3 322.412 2.309 20 30 DEEDHN C=CCSc1ccccc1NC(=O)CNC(C)(C)CC(N)=O ZINC000186234428 402413636 /nfs/dbraw/zinc/41/36/36/402413636.db2.gz MDINMCUKTIBYQD-UHFFFAOYSA-N 0 3 321.446 2.147 20 30 DEEDHN CN(C)CCn1ccc(NC(=O)Nc2ccc(F)c(C#N)c2)n1 ZINC000186597475 402446459 /nfs/dbraw/zinc/44/64/59/402446459.db2.gz YHHSLGWRFBTCGZ-UHFFFAOYSA-N 0 3 316.340 2.099 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189918575 402566922 /nfs/dbraw/zinc/56/69/22/402566922.db2.gz WDHPUWKYDSYIAV-OAHLLOKOSA-N 0 3 301.434 2.144 20 30 DEEDHN CC(=O)N1CCCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000179814637 402600854 /nfs/dbraw/zinc/60/08/54/402600854.db2.gz IPJCDQAZHCPIOF-UHFFFAOYSA-N 0 3 314.433 2.091 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000171680079 402608813 /nfs/dbraw/zinc/60/88/13/402608813.db2.gz VWPPJRFLGBSUOA-UHFFFAOYSA-N 0 3 317.389 2.230 20 30 DEEDHN CCN1CCN([C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000249402922 402628864 /nfs/dbraw/zinc/62/88/64/402628864.db2.gz VOBSICUXFPAQJU-APWZRJJASA-N 0 3 312.461 2.331 20 30 DEEDHN Cn1cc(CNc2cccc(CN3CCN(C)CC3)c2)cc1C#N ZINC000190865947 402628482 /nfs/dbraw/zinc/62/84/82/402628482.db2.gz GSEPCKHBMBIGOT-UHFFFAOYSA-N 0 3 323.444 2.256 20 30 DEEDHN C=C(C)COCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181321233 402641671 /nfs/dbraw/zinc/64/16/71/402641671.db2.gz WXNLJXHLAKGYAV-INIZCTEOSA-N 0 3 319.449 2.399 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(Br)n2)CC1 ZINC000182612145 402703475 /nfs/dbraw/zinc/70/34/75/402703475.db2.gz ZTCLNUNYNNLBPH-UHFFFAOYSA-N 0 3 324.222 2.224 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000173274509 402690585 /nfs/dbraw/zinc/69/05/85/402690585.db2.gz MKIJVSAZMFHDJD-INIZCTEOSA-N 0 3 302.418 2.489 20 30 DEEDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(OCC#N)cc1 ZINC000183210795 402747577 /nfs/dbraw/zinc/74/75/77/402747577.db2.gz VFTPFIGLHOMXMS-CVEARBPZSA-N 0 3 322.430 2.034 20 30 DEEDHN Cc1c(C#N)cccc1NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000183240755 402749935 /nfs/dbraw/zinc/74/99/35/402749935.db2.gz ZCQLOPATSYFTQW-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000174777261 402756669 /nfs/dbraw/zinc/75/66/69/402756669.db2.gz QPEOAAPGUXNWCT-PBHICJAKSA-N 0 3 309.454 2.140 20 30 DEEDHN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000183331538 402757581 /nfs/dbraw/zinc/75/75/81/402757581.db2.gz CVMHIDRQKRBUAF-YOEHRIQHSA-N 0 3 317.433 2.386 20 30 DEEDHN N#CCCCOc1cccc(CN[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000174932177 402764280 /nfs/dbraw/zinc/76/42/80/402764280.db2.gz UADSDMOAIXBAAM-OAHLLOKOSA-N 0 3 313.401 2.222 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H](CCO)C2CCCCC2)cc1 ZINC000183709498 402790981 /nfs/dbraw/zinc/79/09/81/402790981.db2.gz QRFDXYCZGANJEQ-QGZVFWFLSA-N 0 3 315.417 2.418 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N(C)CCN(C)C1CC1 ZINC000184414956 402842336 /nfs/dbraw/zinc/84/23/36/402842336.db2.gz IBTBUDJELNWCBO-UHFFFAOYSA-N 0 3 319.380 2.396 20 30 DEEDHN C=CCCC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264062191 402835856 /nfs/dbraw/zinc/83/58/56/402835856.db2.gz FKPRBPVKYJYNPH-OAHLLOKOSA-N 0 3 315.417 2.289 20 30 DEEDHN CC(C)(C)[C@@H](CCO)NCC(=O)N(CCC#N)c1ccccc1 ZINC000183667175 402786771 /nfs/dbraw/zinc/78/67/71/402786771.db2.gz RJQXOPILEAXBCW-MRXNPFEDSA-N 0 3 317.433 2.320 20 30 DEEDHN N#Cc1c(F)cccc1N1CCC(CN2CCOCC2)CC1 ZINC000263653715 402786994 /nfs/dbraw/zinc/78/69/94/402786994.db2.gz CEKJBNQXMQBXHB-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000278268860 402862612 /nfs/dbraw/zinc/86/26/12/402862612.db2.gz OTEZDWHPNMLDPH-GDBMZVCRSA-N 0 3 315.417 2.373 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000278594103 402868582 /nfs/dbraw/zinc/86/85/82/402868582.db2.gz KOJBAILGVSFDTQ-WMZOPIPTSA-N 0 3 302.418 2.267 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H]2CCC[C@H]2CCO)c(C#N)c1C ZINC000279398172 402938488 /nfs/dbraw/zinc/93/84/88/402938488.db2.gz ZKMKVVXCOITGRA-GXTWGEPZSA-N 0 3 321.446 2.316 20 30 DEEDHN C#CC[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000272543103 402951154 /nfs/dbraw/zinc/95/11/54/402951154.db2.gz HHBAHEQLJVRVJH-BZSNNMDCSA-N 0 3 311.429 2.487 20 30 DEEDHN Cc1[nH]cnc1CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000279521217 402951303 /nfs/dbraw/zinc/95/13/03/402951303.db2.gz VDVGDKWVGGHFHR-UHFFFAOYSA-N 0 3 321.302 2.447 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCC[C@H](C)O)C(C)C ZINC000279156743 402910480 /nfs/dbraw/zinc/91/04/80/402910480.db2.gz DEROFPLZNUJJNL-HOTGVXAUSA-N 0 3 311.470 2.145 20 30 DEEDHN Cc1ccc(C#N)c(NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000273214250 402983855 /nfs/dbraw/zinc/98/38/55/402983855.db2.gz PSNSRNMXUHKZAN-SFHVURJKSA-N 0 3 322.412 2.440 20 30 DEEDHN CCOC[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280302640 402985390 /nfs/dbraw/zinc/98/53/90/402985390.db2.gz HHLHIQULUVQBDH-DLBZAZTESA-N 0 3 311.385 2.126 20 30 DEEDHN Cc1csc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000280805433 403039059 /nfs/dbraw/zinc/03/90/59/403039059.db2.gz MDGYESWFJSDOCN-CQSZACIVSA-N 0 3 310.382 2.322 20 30 DEEDHN CN(C)[C@@]1(CNc2cc(C#N)ccc2[N+](=O)[O-])CCSC1 ZINC000274279359 403041249 /nfs/dbraw/zinc/04/12/49/403041249.db2.gz USFZHQZXAIIOGL-CQSZACIVSA-N 0 3 306.391 2.316 20 30 DEEDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(Cl)c(C#N)n1 ZINC000274416273 403053150 /nfs/dbraw/zinc/05/31/50/403053150.db2.gz BAONZTOKSDVKRR-GFCCVEGCSA-N 0 3 307.829 2.045 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000281068401 403058316 /nfs/dbraw/zinc/05/83/16/403058316.db2.gz ZROLBBKJJGSZRC-ZWKOTPCHSA-N 0 3 324.428 2.231 20 30 DEEDHN CCC(O)(CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281300547 403062507 /nfs/dbraw/zinc/06/25/07/403062507.db2.gz TZGAOCLAUQXAHF-INIZCTEOSA-N 0 3 313.401 2.298 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCCCn2cc(C)cn2)C1=O ZINC000281424170 403067815 /nfs/dbraw/zinc/06/78/15/403067815.db2.gz RXOBWKZLMWXBQX-INIZCTEOSA-N 0 3 304.438 2.081 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000281577404 403071665 /nfs/dbraw/zinc/07/16/65/403071665.db2.gz XWEVBOFVCHAYOT-CQSZACIVSA-N 0 3 303.406 2.158 20 30 DEEDHN CCC[C@H](CCO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281748576 403088166 /nfs/dbraw/zinc/08/81/66/403088166.db2.gz YERICSSEZQDEPU-SJORKVTESA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000268512993 403090364 /nfs/dbraw/zinc/09/03/64/403090364.db2.gz CPJIYWYYDFWGGW-HZPDHXFCSA-N 0 3 321.396 2.349 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@@H](CO)C(C)C)C1=O ZINC000281994649 403111951 /nfs/dbraw/zinc/11/19/51/403111951.db2.gz NCRFOPVDDIRSRS-ROUUACIJSA-N 0 3 316.445 2.292 20 30 DEEDHN CS[C@@H]1CN(c2nccc(C)c2C#N)C[C@@H]1N1CCCC1 ZINC000275898051 403131165 /nfs/dbraw/zinc/13/11/65/403131165.db2.gz ZAIBWKVUNVWTDM-LSDHHAIUSA-N 0 3 302.447 2.278 20 30 DEEDHN C=CCCN(C)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000276054977 403142366 /nfs/dbraw/zinc/14/23/66/403142366.db2.gz HXEKSSNXFHWWEA-UHFFFAOYSA-N 0 3 319.449 2.387 20 30 DEEDHN C=CCOc1ccc(CNCC2([S@@](C)=O)CC2)cc1OC ZINC000282407974 403150858 /nfs/dbraw/zinc/15/08/58/403150858.db2.gz PYZLIKIFJUNZCJ-OAQYLSRUSA-N 0 3 309.431 2.261 20 30 DEEDHN N#C[C@H]1CCC[C@H](NCCS(=O)(=O)CCc2ccccc2)C1 ZINC000282467510 403154844 /nfs/dbraw/zinc/15/48/44/403154844.db2.gz LKGDOQIOUZQTSW-IRXDYDNUSA-N 0 3 320.458 2.316 20 30 DEEDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c(C#N)c2)CCCO1 ZINC000277620409 403237457 /nfs/dbraw/zinc/23/74/57/403237457.db2.gz MIAXBAUASXFNPT-ZDUSSCGKSA-N 0 3 318.377 2.379 20 30 DEEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(CC2CC2)CC1 ZINC000283534883 403204568 /nfs/dbraw/zinc/20/45/68/403204568.db2.gz OPOWUHPWQWSSII-UHFFFAOYSA-N 0 3 324.432 2.058 20 30 DEEDHN CO/N=C/C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000283701656 403216563 /nfs/dbraw/zinc/21/65/63/403216563.db2.gz ILKYFSAWHARDKY-PNLQOCCLSA-N 0 3 303.406 2.130 20 30 DEEDHN CCCCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000270957414 403245021 /nfs/dbraw/zinc/24/50/21/403245021.db2.gz WRXKJHAMQNPDMH-UHFFFAOYSA-N 0 3 319.449 2.470 20 30 DEEDHN CCC[C@@H]1CN(c2ccc(C#N)c(C)n2)CCN1CCOC ZINC000292075237 403284897 /nfs/dbraw/zinc/28/48/97/403284897.db2.gz XLLXFYURLFRXEB-MRXNPFEDSA-N 0 3 302.422 2.199 20 30 DEEDHN Cc1ccc([C@@H](O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292140826 403303436 /nfs/dbraw/zinc/30/34/36/403303436.db2.gz JKZURKYDLRQWMC-ROUUACIJSA-N 0 3 323.396 2.448 20 30 DEEDHN CC1(C)C[C@@H](NCC(=O)NCc2cccc(C#N)c2)C(C)(C)O1 ZINC000331295560 403373331 /nfs/dbraw/zinc/37/33/31/403373331.db2.gz NNTSCIFSXGIXIC-OAHLLOKOSA-N 0 3 315.417 2.110 20 30 DEEDHN C=CCCOCCCCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000342980967 403417413 /nfs/dbraw/zinc/41/74/13/403417413.db2.gz ASOBVEMAISQGCB-GJZGRUSLSA-N 0 3 314.495 2.253 20 30 DEEDHN COc1ccc([C@H](CNC(=O)C(C)C#N)N2CCCCC2)cc1 ZINC000345673934 403431349 /nfs/dbraw/zinc/43/13/49/403431349.db2.gz XEEGIJYPISSTRY-YOEHRIQHSA-N 0 3 315.417 2.498 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000298691285 403440514 /nfs/dbraw/zinc/44/05/14/403440514.db2.gz ONQZXTSSZSMJGW-RDJZCZTQSA-N 0 3 314.433 2.452 20 30 DEEDHN CCN1CCC(N(C)C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000339763686 403441147 /nfs/dbraw/zinc/44/11/47/403441147.db2.gz NWRWEAGCOVBZSP-UHFFFAOYSA-N 0 3 314.433 2.181 20 30 DEEDHN C#CCOc1ccc([C@@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000287195120 403556014 /nfs/dbraw/zinc/55/60/14/403556014.db2.gz WBNUAKMIFICVEM-HUUCEWRRSA-N 0 3 321.442 2.174 20 30 DEEDHN CC[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000286886926 403548623 /nfs/dbraw/zinc/54/86/23/403548623.db2.gz CUUQITAUWYPGKJ-ZBFHGGJFSA-N 0 3 306.431 2.424 20 30 DEEDHN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)C(C)C#N ZINC000339920114 403494660 /nfs/dbraw/zinc/49/46/60/403494660.db2.gz CLXROPVNODNYNV-UKRRQHHQSA-N 0 3 302.374 2.362 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000345814795 403495232 /nfs/dbraw/zinc/49/52/32/403495232.db2.gz VQTAYNXLJKDETN-MFKMUULPSA-N 0 3 305.765 2.063 20 30 DEEDHN C[C@@H]1COCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287099147 403553734 /nfs/dbraw/zinc/55/37/34/403553734.db2.gz ZAZJDGPZFWSYNY-XOKHGSTOSA-N 0 3 311.385 2.029 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOc1cccc(C)c1 ZINC000293899234 403593398 /nfs/dbraw/zinc/59/33/98/403593398.db2.gz FBENZRPRXVLNRG-UHFFFAOYSA-N 0 3 302.418 2.225 20 30 DEEDHN CCc1noc(C)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000293769284 403559478 /nfs/dbraw/zinc/55/94/78/403559478.db2.gz ABIQYXQDRDUMBQ-OAHLLOKOSA-N 0 3 322.368 2.416 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000347082876 403615309 /nfs/dbraw/zinc/61/53/09/403615309.db2.gz YHXSQHZUFRZTFZ-GXFFZTMASA-N 0 3 302.765 2.439 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)NC2(C#N)CCC2)C1(CC)CC ZINC000347196281 403620239 /nfs/dbraw/zinc/62/02/39/403620239.db2.gz AGPAJZVJIJMJMD-KGLIPLIRSA-N 0 3 307.438 2.122 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)NC2(C#N)CCC2)C1(CC)CC ZINC000347196282 403620306 /nfs/dbraw/zinc/62/03/06/403620306.db2.gz AGPAJZVJIJMJMD-UONOGXRCSA-N 0 3 307.438 2.122 20 30 DEEDHN C=CCOc1ccccc1CN1CCCN([C@@H](C)CO)CC1 ZINC000347277638 403646060 /nfs/dbraw/zinc/64/60/60/403646060.db2.gz WCZSUDOJJWHPON-INIZCTEOSA-N 0 3 304.434 2.140 20 30 DEEDHN C=CCOCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294042766 403632302 /nfs/dbraw/zinc/63/23/02/403632302.db2.gz IUTLBLFBKWIQHC-GOEBONIOSA-N 0 3 310.344 2.029 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000343570834 403643800 /nfs/dbraw/zinc/64/38/00/403643800.db2.gz AMYHPYAFWCYDLD-HOCLYGCPSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCN(CCn1cccn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343572879 403644773 /nfs/dbraw/zinc/64/47/73/403644773.db2.gz PBUBPPIBYRITCW-HNNXBMFYSA-N 0 3 323.404 2.108 20 30 DEEDHN CC[C@@H]1CN(c2ccc(C#N)nn2)CCN1Cc1ccccc1 ZINC000302161468 403708764 /nfs/dbraw/zinc/70/87/64/403708764.db2.gz PLGCSRJTRFVPBQ-QGZVFWFLSA-N 0 3 307.401 2.449 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347355750 403677827 /nfs/dbraw/zinc/67/78/27/403677827.db2.gz DADGEEMLHVNXRB-CYBMUJFWSA-N 0 3 301.365 2.444 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000343729590 403709552 /nfs/dbraw/zinc/70/95/52/403709552.db2.gz CUNNKEXEZBVLAV-UHFFFAOYSA-N 0 3 318.396 2.285 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1 ZINC000288021561 403710143 /nfs/dbraw/zinc/71/01/43/403710143.db2.gz CFVIZESNVKBSFE-CJNGLKHVSA-N 0 3 308.385 2.279 20 30 DEEDHN N#Cc1cccnc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301870806 403694688 /nfs/dbraw/zinc/69/46/88/403694688.db2.gz JXXKEULORSLFBC-DLBZAZTESA-N 0 3 308.385 2.001 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000295110270 403763107 /nfs/dbraw/zinc/76/31/07/403763107.db2.gz VIWRTEHHPSAHLB-WMZOPIPTSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)CC1(C)C ZINC000347588666 403764756 /nfs/dbraw/zinc/76/47/56/403764756.db2.gz KCQBBNJIPBETNI-QGZVFWFLSA-N 0 3 318.461 2.181 20 30 DEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN(C)C ZINC000288048644 403715883 /nfs/dbraw/zinc/71/58/83/403715883.db2.gz OYGPTLQLWAZXKD-AWEZNQCLSA-N 0 3 302.422 2.428 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN(C)C ZINC000288120915 403728762 /nfs/dbraw/zinc/72/87/62/403728762.db2.gz WIOSVLJPZJIFKO-AWEZNQCLSA-N 0 3 302.422 2.430 20 30 DEEDHN C[C@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCC(C)CC1 ZINC000351644678 403826946 /nfs/dbraw/zinc/82/69/46/403826946.db2.gz RSAORBPQRSUIIG-CQSZACIVSA-N 0 3 317.408 2.476 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000295288141 403832162 /nfs/dbraw/zinc/83/21/62/403832162.db2.gz AGEIDZHYJIZTGP-FUHWJXTLSA-N 0 3 316.445 2.309 20 30 DEEDHN CC(=O)NCC[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000347677464 403802262 /nfs/dbraw/zinc/80/22/62/403802262.db2.gz MTNLSJMFCHGHRO-MRXNPFEDSA-N 0 3 315.417 2.175 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000354532864 403861169 /nfs/dbraw/zinc/86/11/69/403861169.db2.gz BNDHXNRMSJWVEU-UONOGXRCSA-N 0 3 303.406 2.354 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(n2cccn2)CC1 ZINC000361941991 403912117 /nfs/dbraw/zinc/91/21/17/403912117.db2.gz FTSOZMAXPODKDT-HNNXBMFYSA-N 0 3 302.422 2.109 20 30 DEEDHN C#C[C@@H](NCc1c(C)nn(CC(=O)OC(C)C)c1C)C(C)C ZINC000289337337 403917160 /nfs/dbraw/zinc/91/71/60/403917160.db2.gz HJQPLWPMXUTJMY-MRXNPFEDSA-N 0 3 305.422 2.199 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)Cc1cccs1 ZINC000411634771 403919616 /nfs/dbraw/zinc/91/96/16/403919616.db2.gz ATWOFRPVGOAAJW-UHFFFAOYSA-N 0 3 309.479 2.146 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000344117823 403920840 /nfs/dbraw/zinc/92/08/40/403920840.db2.gz JGLFZKSLPDUUBE-ZJUUUORDSA-N 0 3 314.311 2.305 20 30 DEEDHN C[C@@H]1C[C@H](CO)CCN1CCC(=O)Nc1sccc1C#N ZINC000344122778 403925435 /nfs/dbraw/zinc/92/54/35/403925435.db2.gz DZSKFJLPNOXXHW-VXGBXAGGSA-N 0 3 307.419 2.041 20 30 DEEDHN CCN(CCC#N)C(=O)CN(CCOC)C[C@H]1CC=CCC1 ZINC000362250465 403939887 /nfs/dbraw/zinc/93/98/87/403939887.db2.gz MLQVTVFYGDLHCD-INIZCTEOSA-N 0 3 307.438 2.053 20 30 DEEDHN C=CCN(CC(=O)N(C)CC(=O)OCC)CC1CCCCC1 ZINC000351829533 403947929 /nfs/dbraw/zinc/94/79/29/403947929.db2.gz NAWPSZWEUYJRST-UHFFFAOYSA-N 0 3 310.438 2.076 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OCCC)cc1OC ZINC000295485109 403952393 /nfs/dbraw/zinc/95/23/93/403952393.db2.gz NLFMOZUWUTYKCK-UHFFFAOYSA-N 0 3 318.417 2.169 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCO[C@H]21 ZINC000567214744 292296857 /nfs/dbraw/zinc/29/68/57/292296857.db2.gz CAZDIRJEQAPNPI-USXIJHARSA-N 0 3 313.401 2.290 20 30 DEEDHN Cn1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000351905969 403997890 /nfs/dbraw/zinc/99/78/90/403997890.db2.gz DJOHTFOXSVVECM-QGZVFWFLSA-N 0 3 308.385 2.182 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@H](c1cccs1)C(C)(C)CO ZINC000289984960 404013759 /nfs/dbraw/zinc/01/37/59/404013759.db2.gz YCXWQTUDLFAIKM-OAHLLOKOSA-N 0 3 323.462 2.159 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](CN3CCOCC3)C2)c1F ZINC000337429721 404019615 /nfs/dbraw/zinc/01/96/15/404019615.db2.gz ASOPMIKKABYMIA-OAHLLOKOSA-N 0 3 317.408 2.242 20 30 DEEDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)NCc1cccnc1 ZINC000328699570 404133022 /nfs/dbraw/zinc/13/30/22/404133022.db2.gz MIDVQOIRRQDZGC-CYBMUJFWSA-N 0 3 302.378 2.169 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CO)[C@H]1C ZINC000412098195 404133686 /nfs/dbraw/zinc/13/36/86/404133686.db2.gz VNEOFTFTVZXCRE-HIFRSBDPSA-N 0 3 304.390 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000296229683 404153591 /nfs/dbraw/zinc/15/35/91/404153591.db2.gz JTWPOIRTQJNAQM-CYBMUJFWSA-N 0 3 321.396 2.150 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296210781 404145624 /nfs/dbraw/zinc/14/56/24/404145624.db2.gz MLVNEDDPBXSSND-UAGQMJEPSA-N 0 3 311.385 2.044 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000329068403 404219981 /nfs/dbraw/zinc/21/99/81/404219981.db2.gz XNDRIXFGIBDDLK-HUUCEWRRSA-N 0 3 318.421 2.199 20 30 DEEDHN C[C@H](CNC(=O)N[C@@H]1CCO[C@H]1C1CC1)N1CCC[C@@H](C)C1 ZINC000328850773 404162236 /nfs/dbraw/zinc/16/22/36/404162236.db2.gz URRPIYGFVCFERP-XOUADPBQSA-N 0 3 309.454 2.178 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000349744212 404182118 /nfs/dbraw/zinc/18/21/18/404182118.db2.gz MDIUIJBRLGMPHJ-RRQGHBQHSA-N 0 3 311.385 2.266 20 30 DEEDHN C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CN1C1CC1 ZINC000290524059 404205788 /nfs/dbraw/zinc/20/57/88/404205788.db2.gz CSKSWPDJIGWKFE-BXKDBHETSA-N 0 3 301.350 2.086 20 30 DEEDHN COC[C@@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000352228337 404231187 /nfs/dbraw/zinc/23/11/87/404231187.db2.gz XJRJCSVKJZAANH-GARNVTTQSA-N 0 3 321.465 2.274 20 30 DEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC2(C)C)CC1=O ZINC000329127529 404237981 /nfs/dbraw/zinc/23/79/81/404237981.db2.gz UWFKEYIKQPKBNM-MCIONIFRSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000352239050 404238553 /nfs/dbraw/zinc/23/85/53/404238553.db2.gz RWNIVFRCXKXFAU-JYJNAYRXSA-N 0 3 323.481 2.227 20 30 DEEDHN C[C@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCC[C@H](C)C1 ZINC000349876662 404240498 /nfs/dbraw/zinc/24/04/98/404240498.db2.gz REALJPPGYTZWMI-UONOGXRCSA-N 0 3 317.408 2.476 20 30 DEEDHN C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@H]1C(N)=O ZINC000329202093 404263568 /nfs/dbraw/zinc/26/35/68/404263568.db2.gz VWZSPCHHQSKPLB-KWCYVHTRSA-N 0 3 308.426 2.020 20 30 DEEDHN COCCN(C)CC[C@@H](Nc1ccnc(C#N)c1)c1ccccc1 ZINC000341978813 404292799 /nfs/dbraw/zinc/29/27/99/404292799.db2.gz DISXOWVSVNDWQR-LJQANCHMSA-N 0 3 324.428 2.497 20 30 DEEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H]2CCCN2C)C1 ZINC000329256239 404281583 /nfs/dbraw/zinc/28/15/83/404281583.db2.gz XMGDTIMESHPBFC-NRKLIOEPSA-N 0 3 323.481 2.256 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000352316338 404284860 /nfs/dbraw/zinc/28/48/60/404284860.db2.gz SXIWXUKLTXEPAE-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CCC1(CO)CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000329272594 404285498 /nfs/dbraw/zinc/28/54/98/404285498.db2.gz AGDYQDMTULXSBK-AWEZNQCLSA-N 0 3 309.454 2.035 20 30 DEEDHN CC[C@H](C)[C@](C)(O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350003115 404291040 /nfs/dbraw/zinc/29/10/40/404291040.db2.gz LSDQCYXBVZBCFU-QANKJYHBSA-N 0 3 313.401 2.154 20 30 DEEDHN C#CCOc1ccc(CN2CCOC3(CCOCC3)CC2)cc1 ZINC000364241111 404329486 /nfs/dbraw/zinc/32/94/86/404329486.db2.gz ZKJDHEAFAZPMMR-UHFFFAOYSA-N 0 3 315.413 2.470 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cccc2c1OCO2 ZINC000329424001 404333274 /nfs/dbraw/zinc/33/32/74/404333274.db2.gz FMKXGQNUTKMFCF-LBPRGKRZSA-N 0 3 305.378 2.234 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)C2 ZINC000329496136 404356252 /nfs/dbraw/zinc/35/62/52/404356252.db2.gz FWPKKGUENMBVJB-DUVNUKRYSA-N 0 3 304.438 2.439 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1c(F)cccc1C#N ZINC000350034032 404299721 /nfs/dbraw/zinc/29/97/21/404299721.db2.gz KFQHFWUUOXGTHB-KGLIPLIRSA-N 0 3 317.408 2.476 20 30 DEEDHN O=C(NC1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1)C1CC1 ZINC000329541889 404370513 /nfs/dbraw/zinc/37/05/13/404370513.db2.gz XMEYWMXCRXQAHU-INIZCTEOSA-N 0 3 319.449 2.218 20 30 DEEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CCCC#N)CC1 ZINC000291055648 404373440 /nfs/dbraw/zinc/37/34/40/404373440.db2.gz AFKUROCXTALAQD-AWEZNQCLSA-N 0 3 300.406 2.417 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Cl)cc1F ZINC000296926466 404375752 /nfs/dbraw/zinc/37/57/52/404375752.db2.gz QAQLDLCTPBRDCU-UHFFFAOYSA-N 0 3 311.788 2.233 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C1 ZINC000329588804 404385763 /nfs/dbraw/zinc/38/57/63/404385763.db2.gz SJXFMZPLWXJCPE-RRFJBIMHSA-N 0 3 310.438 2.116 20 30 DEEDHN N#CC(C(=O)c1cnn2ccncc12)c1nc2ccccc2[nH]1 ZINC000356256954 404412449 /nfs/dbraw/zinc/41/24/49/404412449.db2.gz CHHZDQRNRYBLGO-JTQLQIEISA-N 0 3 302.297 2.096 20 30 DEEDHN C=CCN1CCC(N[C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000414080640 404505897 /nfs/dbraw/zinc/50/58/97/404505897.db2.gz DJDRFXOCYKREMJ-NSHDSACASA-N 0 3 309.435 2.231 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCc2noc3c2CCCC3)CC1 ZINC000329718596 404433190 /nfs/dbraw/zinc/43/31/90/404433190.db2.gz ZASXLTDDSBQCBN-UHFFFAOYSA-N 0 3 320.437 2.384 20 30 DEEDHN [O-]C(NC1CC(C(F)(F)F)C1)=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329731411 404435297 /nfs/dbraw/zinc/43/52/97/404435297.db2.gz PTCIBWTVUCHCKJ-MGURRDGZSA-N 0 3 302.300 2.112 20 30 DEEDHN [O-]C(NC1CC(C(F)(F)F)C1)=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329731411 404435303 /nfs/dbraw/zinc/43/53/03/404435303.db2.gz PTCIBWTVUCHCKJ-MGURRDGZSA-N 0 3 302.300 2.112 20 30 DEEDHN [O-]C(N[C@H]1CCc2nc[nH]c2C1)=[NH+]C1CC(C(F)(F)F)C1 ZINC000329731411 404435306 /nfs/dbraw/zinc/43/53/06/404435306.db2.gz PTCIBWTVUCHCKJ-MGURRDGZSA-N 0 3 302.300 2.112 20 30 DEEDHN [O-]C(N[C@H]1CCc2[nH]cnc2C1)=[NH+]C1CC(C(F)(F)F)C1 ZINC000329731411 404435314 /nfs/dbraw/zinc/43/53/14/404435314.db2.gz PTCIBWTVUCHCKJ-MGURRDGZSA-N 0 3 302.300 2.112 20 30 DEEDHN CNC(=O)C1CCN(Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000329760517 404443204 /nfs/dbraw/zinc/44/32/04/404443204.db2.gz QGCWJSCPQDZPKD-UHFFFAOYSA-N 0 3 313.405 2.374 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000329787318 404450765 /nfs/dbraw/zinc/45/07/65/404450765.db2.gz YNVUOEZJBXNQRQ-RDBSUJKOSA-N 0 3 309.454 2.319 20 30 DEEDHN CO[C@]1(C)C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1(C)C ZINC000329796556 404455102 /nfs/dbraw/zinc/45/51/02/404455102.db2.gz DXIHYQYZOMTLJH-MBMVNNNZSA-N 0 3 309.454 2.176 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C12CCC2 ZINC000329819069 404461557 /nfs/dbraw/zinc/46/15/57/404461557.db2.gz XNEBIIIFRQJEFP-DMRZNYOFSA-N 0 3 321.465 2.320 20 30 DEEDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N)C1CC1 ZINC000414197095 404545913 /nfs/dbraw/zinc/54/59/13/404545913.db2.gz XNPRORWPMJTSKX-WQGACYEGSA-N 0 3 301.390 2.288 20 30 DEEDHN CC1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CCOCC1 ZINC000330262732 404605150 /nfs/dbraw/zinc/60/51/50/404605150.db2.gz VMUUUSPSVXRIRD-HNNXBMFYSA-N 0 3 309.454 2.324 20 30 DEEDHN O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000330261360 404605607 /nfs/dbraw/zinc/60/56/07/404605607.db2.gz OZXZSEYAMCGXEY-HOCLYGCPSA-N 0 3 319.449 2.218 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC2(CCN(C)C2=O)CC1 ZINC000365339045 404624394 /nfs/dbraw/zinc/62/43/94/404624394.db2.gz WEMPXIRMSYZZQD-UHFFFAOYSA-N 0 3 313.401 2.011 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000330351257 404634223 /nfs/dbraw/zinc/63/42/23/404634223.db2.gz MAXVSXOCNVCHFH-CWRNSKLLSA-N 0 3 320.437 2.186 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3ccncc3)C2)s1 ZINC000366194087 404771378 /nfs/dbraw/zinc/77/13/78/404771378.db2.gz YMNIZKRIUDYJTF-ZDUSSCGKSA-N 0 3 312.398 2.019 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](CCO)C(C)C)c(C#N)c1C ZINC000358802033 404775780 /nfs/dbraw/zinc/77/57/80/404775780.db2.gz CSBQTXCKHFZXAS-RISCZKNCSA-N 0 3 307.394 2.092 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](CCO)C(C)C)c(C#N)c1C ZINC000358802031 404775927 /nfs/dbraw/zinc/77/59/27/404775927.db2.gz CSBQTXCKHFZXAS-BXUZGUMPSA-N 0 3 307.394 2.092 20 30 DEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415047570 404795502 /nfs/dbraw/zinc/79/55/02/404795502.db2.gz BGHOBZIGELDIQX-RISCZKNCSA-N 0 3 302.378 2.101 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000359911441 404809374 /nfs/dbraw/zinc/80/93/74/404809374.db2.gz LVRWCVAPPBIGSG-CYBMUJFWSA-N 0 3 312.285 2.244 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000378065955 404860147 /nfs/dbraw/zinc/86/01/47/404860147.db2.gz CCIWMSDGAZOYDL-JKSUJKDBSA-N 0 3 321.465 2.236 20 30 DEEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435019404 404951741 /nfs/dbraw/zinc/95/17/41/404951741.db2.gz JOEBCTWCDSSKTF-WMLDXEAASA-N 0 3 309.413 2.285 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000424088309 405001812 /nfs/dbraw/zinc/00/18/12/405001812.db2.gz GTQOFQSRGOUSTH-CVEARBPZSA-N 0 3 317.389 2.204 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000424094799 405004865 /nfs/dbraw/zinc/00/48/65/405004865.db2.gz VMLPLCBOWYUXHS-HNNXBMFYSA-N 0 3 314.389 2.163 20 30 DEEDHN COc1ccc([C@@H](C)CCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424116964 405011826 /nfs/dbraw/zinc/01/18/26/405011826.db2.gz CDQVWBTZESEPJQ-BBRMVZONSA-N 0 3 303.406 2.326 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000424119561 405013122 /nfs/dbraw/zinc/01/31/22/405013122.db2.gz CVTQXQXMQYFFIW-AWEZNQCLSA-N 0 3 303.431 2.449 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000424125322 405015428 /nfs/dbraw/zinc/01/54/28/405015428.db2.gz NSSZSVYQCNWVLM-HUUCEWRRSA-N 0 3 303.431 2.154 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000424136915 405018082 /nfs/dbraw/zinc/01/80/82/405018082.db2.gz ACFNLQWPLMSCPA-DZGCQCFKSA-N 0 3 320.824 2.056 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2ccc(Br)cc21 ZINC000424144639 405020671 /nfs/dbraw/zinc/02/06/71/405020671.db2.gz SOQZTLXEVMSGIC-GFCCVEGCSA-N 0 3 322.206 2.359 20 30 DEEDHN Cn1c2ccc(NC(=O)[C@H](N)CCCC#N)cc2nc1C1CC1 ZINC000424164014 405027031 /nfs/dbraw/zinc/02/70/31/405027031.db2.gz BIWLMEXIJRWIEH-CYBMUJFWSA-N 0 3 311.389 2.410 20 30 DEEDHN C=CCn1cc(CN[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)nn1 ZINC000424173327 405029605 /nfs/dbraw/zinc/02/96/05/405029605.db2.gz PIUBPSMJZRRWRG-DOTOQJQBSA-N 0 3 311.433 2.217 20 30 DEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cnn1-c1ccccc1F ZINC000424179245 405030529 /nfs/dbraw/zinc/03/05/29/405030529.db2.gz YNGHDVZTNWHJCV-CYBMUJFWSA-N 0 3 315.352 2.280 20 30 DEEDHN CC(C)OC[C@@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000451420698 404989220 /nfs/dbraw/zinc/98/92/20/404989220.db2.gz RBIRXUNAUCJLCU-IAGOWNOFSA-N 0 3 318.417 2.003 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000451427295 404992400 /nfs/dbraw/zinc/99/24/00/404992400.db2.gz VMPMRAPOTUCQOE-GVDBMIGSSA-N 0 3 313.401 2.122 20 30 DEEDHN C[C@H](C#N)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435636103 405000572 /nfs/dbraw/zinc/00/05/72/405000572.db2.gz KDAKFDTWPKJXRA-ZBFHGGJFSA-N 0 3 323.400 2.428 20 30 DEEDHN CCN1C[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000408047633 405098848 /nfs/dbraw/zinc/09/88/48/405098848.db2.gz RJVKERCREOEMAE-JKSUJKDBSA-N 0 3 320.481 2.086 20 30 DEEDHN C=CCOc1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000367461370 405056214 /nfs/dbraw/zinc/05/62/14/405056214.db2.gz WLOOMEAZKCWIBA-RBUKOAKNSA-N 0 3 316.445 2.282 20 30 DEEDHN C=CCOc1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000367461371 405056508 /nfs/dbraw/zinc/05/65/08/405056508.db2.gz WLOOMEAZKCWIBA-RTBURBONSA-N 0 3 316.445 2.282 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC000354177666 405083338 /nfs/dbraw/zinc/08/33/38/405083338.db2.gz HXJFPVVEBYDGRU-GOEBONIOSA-N 0 3 314.433 2.498 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000424507523 405107528 /nfs/dbraw/zinc/10/75/28/405107528.db2.gz JIQDBRQSVXBYGX-OWSLCNJRSA-N 0 3 314.429 2.182 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000452028850 405131564 /nfs/dbraw/zinc/13/15/64/405131564.db2.gz XNNBLWIMUCOWHC-IAGOWNOFSA-N 0 3 315.417 2.480 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000424700211 405153912 /nfs/dbraw/zinc/15/39/12/405153912.db2.gz RVLODQJBJUPIMI-IBGZPJMESA-N 0 3 316.445 2.342 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000361642112 405178526 /nfs/dbraw/zinc/17/85/26/405178526.db2.gz HEVWUYBYSZUCRV-UHFFFAOYSA-N 0 3 312.417 2.045 20 30 DEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccnc1C#N ZINC000367942264 405199212 /nfs/dbraw/zinc/19/92/12/405199212.db2.gz LLPMWRVDBNETIG-IBGZPJMESA-N 0 3 322.412 2.026 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000437504074 405203077 /nfs/dbraw/zinc/20/30/77/405203077.db2.gz TVDRXYSFFVGYMH-DLBZAZTESA-N 0 3 302.418 2.459 20 30 DEEDHN CN(CCn1cc2c(c(C#N)c1=O)CCC2)Cc1ccccc1 ZINC000418971680 405216531 /nfs/dbraw/zinc/21/65/31/405216531.db2.gz MLSRSMLWAHNSJD-UHFFFAOYSA-N 0 3 307.397 2.341 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(CC)ccn2)CC1 ZINC000437735816 405217232 /nfs/dbraw/zinc/21/72/32/405217232.db2.gz UHIQSOMVBFTNCP-UHFFFAOYSA-N 0 3 316.449 2.484 20 30 DEEDHN C[C@@H]1CN(CCCNc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000425260363 405264848 /nfs/dbraw/zinc/26/48/48/405264848.db2.gz OSHUUCSDKWZQBA-CYBMUJFWSA-N 0 3 318.377 2.379 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N([C@H](C)CN(C)Cc2ccccc2)C1=O ZINC000419940344 405273383 /nfs/dbraw/zinc/27/33/83/405273383.db2.gz KMNJNESVGJRJTC-ZBFHGGJFSA-N 0 3 315.417 2.394 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000453016505 405274822 /nfs/dbraw/zinc/27/48/22/405274822.db2.gz WHJIKMNWPRHQPH-CJNGLKHVSA-N 0 3 315.392 2.137 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000438000042 405227939 /nfs/dbraw/zinc/22/79/39/405227939.db2.gz PJARYKQDQRYUNH-CVEARBPZSA-N 0 3 323.481 2.389 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000437995526 405228393 /nfs/dbraw/zinc/22/83/93/405228393.db2.gz RNJNPOUZTLWPND-UAGQMJEPSA-N 0 3 323.481 2.339 20 30 DEEDHN N#CC1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000425015473 405230884 /nfs/dbraw/zinc/23/08/84/405230884.db2.gz VGFFMJDZQFDDJI-DLBZAZTESA-N 0 3 309.413 2.413 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000426114101 405339154 /nfs/dbraw/zinc/33/91/54/405339154.db2.gz OTANVUINSCBZMO-CYBMUJFWSA-N 0 3 311.307 2.059 20 30 DEEDHN N#Cc1cncc(NC2CCN(CCc3ccccc3)CC2)n1 ZINC000420585729 405358510 /nfs/dbraw/zinc/35/85/10/405358510.db2.gz MYJHDYLHQSCIKI-UHFFFAOYSA-N 0 3 307.401 2.467 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)Nc1ccccc1CCN(C)C ZINC000455233593 405389451 /nfs/dbraw/zinc/38/94/51/405389451.db2.gz UHTGNFDXZUMFMA-HNNXBMFYSA-N 0 3 305.422 2.239 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000448609473 405426990 /nfs/dbraw/zinc/42/69/90/405426990.db2.gz ZELRFKBGVNGOMI-HNNXBMFYSA-N 0 3 308.385 2.199 20 30 DEEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N(CCC#N)CCC#N ZINC000445879719 405360639 /nfs/dbraw/zinc/36/06/39/405360639.db2.gz IFDOUNSDHAQEQZ-LBPRGKRZSA-N 0 3 318.343 2.209 20 30 DEEDHN C[C@H](CNC(=O)c1cccc(C#N)c1Br)N(C)C ZINC000448678368 405435351 /nfs/dbraw/zinc/43/53/51/405435351.db2.gz VACQVEZXARGPBN-SECBINFHSA-N 0 3 310.195 2.001 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cccc(OC)c1 ZINC000429720415 405445687 /nfs/dbraw/zinc/44/56/87/405445687.db2.gz QCDMABHLCHGKTQ-UHFFFAOYSA-N 0 3 305.422 2.073 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000429721217 405445836 /nfs/dbraw/zinc/44/58/36/405445836.db2.gz GMYSXUCCMKOFFB-QGZVFWFLSA-N 0 3 301.434 2.232 20 30 DEEDHN CC(C)[C@H](CNCc1ccc(C#N)c(F)c1)N1CCOCC1 ZINC000421336169 405465153 /nfs/dbraw/zinc/46/51/53/405465153.db2.gz VPOOSOJYKSEWGZ-KRWDZBQOSA-N 0 3 305.397 2.144 20 30 DEEDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000492053450 405471398 /nfs/dbraw/zinc/47/13/98/405471398.db2.gz ZTBGQMBWSAUAER-OJXHRBAXSA-N 0 3 313.401 2.155 20 30 DEEDHN Cn1cc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)cc1C#N ZINC000421368054 405476289 /nfs/dbraw/zinc/47/62/89/405476289.db2.gz FRVUMBXINOAFHM-GOSISDBHSA-N 0 3 313.376 2.215 20 30 DEEDHN CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CN2CCC1CC2 ZINC000431025140 405562653 /nfs/dbraw/zinc/56/26/53/405562653.db2.gz XRUSWHTUMOAITJ-MRXNPFEDSA-N 0 3 315.442 2.468 20 30 DEEDHN CN(Cc1ccccc1)C1(CNC(=O)CSCC#N)CCC1 ZINC000456125392 405507767 /nfs/dbraw/zinc/50/77/67/405507767.db2.gz VGQYMEADVUPPFY-UHFFFAOYSA-N 0 3 317.458 2.414 20 30 DEEDHN CCO[C@H](CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000556845415 405548511 /nfs/dbraw/zinc/54/85/11/405548511.db2.gz QETAJWIVZMLQNG-QGZVFWFLSA-N 0 3 317.433 2.264 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000458710001 405552683 /nfs/dbraw/zinc/55/26/83/405552683.db2.gz DHYKTBBLMCERDU-OAHLLOKOSA-N 0 3 311.470 2.389 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CCC1(F)F ZINC000528503273 405641010 /nfs/dbraw/zinc/64/10/10/405641010.db2.gz JXARLRDEGGJCPW-OCCSQVGLSA-N 0 3 310.344 2.275 20 30 DEEDHN C[C@H]1OCC[C@]1(C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000494247585 405669448 /nfs/dbraw/zinc/66/94/48/405669448.db2.gz LDBLMVYCBTZGOF-PBHICJAKSA-N 0 3 301.390 2.090 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000459022940 405700002 /nfs/dbraw/zinc/70/00/02/405700002.db2.gz JZHHEJUYIZEVSN-CVEARBPZSA-N 0 3 321.421 2.005 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2cccs2)ns1 ZINC000582358666 405713125 /nfs/dbraw/zinc/71/31/25/405713125.db2.gz JDOBHRBWFNKMLM-MRVPVSSYSA-N 0 3 307.404 2.226 20 30 DEEDHN O=C1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000638897470 405747010 /nfs/dbraw/zinc/74/70/10/405747010.db2.gz JFFYNHLLZWDUTC-AWEZNQCLSA-N 0 3 310.319 2.315 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459119938 405756704 /nfs/dbraw/zinc/75/67/04/405756704.db2.gz MFGXNTALGVEYHK-AWEZNQCLSA-N 0 3 318.396 2.181 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459127572 405759479 /nfs/dbraw/zinc/75/94/79/405759479.db2.gz SJRFZBWLWKYFTD-MLGOLLRUSA-N 0 3 318.396 2.179 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)NCC(C)(C)CC#N ZINC000459260054 405824036 /nfs/dbraw/zinc/82/40/36/405824036.db2.gz PCASSFUKFOHEIC-UHFFFAOYSA-N 0 3 306.410 2.293 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CCOCCC#N)C2)C1 ZINC000495591673 405926115 /nfs/dbraw/zinc/92/61/15/405926115.db2.gz HBAKYIMAPMMSFS-QGZVFWFLSA-N 0 3 323.437 2.250 20 30 DEEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCC1(C#N)CC1)c1ccco1 ZINC000561523677 405936006 /nfs/dbraw/zinc/93/60/06/405936006.db2.gz UQFHJDLUFDWBLM-OLZOCXBDSA-N 0 3 304.394 2.312 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000433223901 405903210 /nfs/dbraw/zinc/90/32/10/405903210.db2.gz UUMZBSOVWJCELP-KRWDZBQOSA-N 0 3 321.380 2.174 20 30 DEEDHN COC(=O)CCCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433234661 405904691 /nfs/dbraw/zinc/90/46/91/405904691.db2.gz SSNKYHWPYUUDDL-OAHLLOKOSA-N 0 3 302.374 2.171 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000532484714 406080192 /nfs/dbraw/zinc/08/01/92/406080192.db2.gz LQVFMOUUPPGFTE-AWEZNQCLSA-N 0 3 315.417 2.174 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000516948522 406114636 /nfs/dbraw/zinc/11/46/36/406114636.db2.gz LKQNNKVMVRBZOD-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN O[C@H](CNCC#Cc1cccc(F)c1)COCc1ccccc1 ZINC000517025969 406121828 /nfs/dbraw/zinc/12/18/28/406121828.db2.gz WNEIAVCQEZQDHJ-LJQANCHMSA-N 0 3 313.372 2.345 20 30 DEEDHN COC(=O)c1ccc(N[C@@H](C)CN2CCC[C@@H](C)C2)c(C#N)n1 ZINC000519659864 406231050 /nfs/dbraw/zinc/23/10/50/406231050.db2.gz YIOSMKWCLARMMZ-OLZOCXBDSA-N 0 3 316.405 2.272 20 30 DEEDHN C[C@H]1CN(c2ccnc(C#N)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000569001760 292383460 /nfs/dbraw/zinc/38/34/60/292383460.db2.gz KGELZBOQCSFDNO-GJZGRUSLSA-N 0 3 307.401 2.447 20 30 DEEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)c(C)n1 ZINC000569878631 406314732 /nfs/dbraw/zinc/31/47/32/406314732.db2.gz HNZURJDBPGXGOA-OAHLLOKOSA-N 0 3 300.406 2.208 20 30 DEEDHN Cc1cc(NC(=O)c2ccc(CN(C)C)cc2)n(CCC#N)n1 ZINC000522249103 406400685 /nfs/dbraw/zinc/40/06/85/406400685.db2.gz FGVMATIBIVCXTK-UHFFFAOYSA-N 0 3 311.389 2.419 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490096144 406451814 /nfs/dbraw/zinc/45/18/14/406451814.db2.gz TWQZWUDVBWXKEL-ZBFHGGJFSA-N 0 3 315.417 2.185 20 30 DEEDHN CCOC(=O)N[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000491301524 406564643 /nfs/dbraw/zinc/56/46/43/406564643.db2.gz DIGZLWSQRULEML-OAHLLOKOSA-N 0 3 323.437 2.297 20 30 DEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)COc1ccccc1C#N ZINC000548454732 406518031 /nfs/dbraw/zinc/51/80/31/406518031.db2.gz WOSOHJSMAKXSRM-INIZCTEOSA-N 0 3 315.417 2.270 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000491048694 406523035 /nfs/dbraw/zinc/52/30/35/406523035.db2.gz YMUMEBUSRRUOII-UHFFFAOYSA-N 0 3 305.309 2.018 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000491474549 406600202 /nfs/dbraw/zinc/60/02/02/406600202.db2.gz NTZUZPYESMRUDQ-IBGZPJMESA-N 0 3 321.424 2.403 20 30 DEEDHN Cc1cccc(OC[C@H](C)NCc2cnc3c(C#N)cnn3c2)c1 ZINC000551211610 406613466 /nfs/dbraw/zinc/61/34/66/406613466.db2.gz SDWALFBDOXESCF-AWEZNQCLSA-N 0 3 321.384 2.467 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2ccccc2)c1CC ZINC000491544867 406616809 /nfs/dbraw/zinc/61/68/09/406616809.db2.gz NQYRTKAGEPHXGS-UHFFFAOYSA-N 0 3 324.428 2.120 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000491625035 406636896 /nfs/dbraw/zinc/63/68/96/406636896.db2.gz REEMUQNDWSTHTM-GOSISDBHSA-N 0 3 317.408 2.222 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(C)cc1O[C@@H](C)CC ZINC000491619405 406634243 /nfs/dbraw/zinc/63/42/43/406634243.db2.gz FEYTVXNVXGVXNE-HNNXBMFYSA-N 0 3 302.418 2.401 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000491406432 406586543 /nfs/dbraw/zinc/58/65/43/406586543.db2.gz NPCGIEJNVKPABB-INIZCTEOSA-N 0 3 313.445 2.311 20 30 DEEDHN C#C[C@H](N[C@H](C)C1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000491709892 406681744 /nfs/dbraw/zinc/68/17/44/406681744.db2.gz PZXANZWWZPXULG-WBMJQRKESA-N 0 3 309.406 2.303 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1(Cc2ccc(F)cc2)CC1 ZINC000491713634 406683007 /nfs/dbraw/zinc/68/30/07/406683007.db2.gz DFVBZDXLUZOJGN-UHFFFAOYSA-N 0 3 317.408 2.155 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C\c1nc2ccccc2s1 ZINC000491632984 406641486 /nfs/dbraw/zinc/64/14/86/406641486.db2.gz REQAQQVPVILURE-KTKRTIGZSA-N 0 3 313.426 2.381 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CNCCc1cc(C)no1 ZINC000573083559 406770072 /nfs/dbraw/zinc/77/00/72/406770072.db2.gz AIHUFLCBNFPKSU-INIZCTEOSA-N 0 3 316.401 2.284 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccnc(Cl)c1 ZINC000491766610 406707843 /nfs/dbraw/zinc/70/78/43/406707843.db2.gz FRABOAVHHXWLCB-GFCCVEGCSA-N 0 3 308.813 2.050 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000574455457 406782530 /nfs/dbraw/zinc/78/25/30/406782530.db2.gz DDPOWLQZVAWUTL-HNNXBMFYSA-N 0 3 316.361 2.107 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000573678777 406775686 /nfs/dbraw/zinc/77/56/86/406775686.db2.gz KIWCARRYIUHGDT-IKGGRYGDSA-N 0 3 317.433 2.322 20 30 DEEDHN C=CCNC(=O)CN(CCCC)[C@@H]1CCc2ncsc2C1 ZINC000646129135 406791040 /nfs/dbraw/zinc/79/10/40/406791040.db2.gz WNVCOCRDQFWAAJ-CYBMUJFWSA-N 0 3 307.463 2.405 20 30 DEEDHN C=CCC[C@H](CO)NCc1c(C)nn(-c2ccccn2)c1C ZINC000641760365 406886475 /nfs/dbraw/zinc/88/64/75/406886475.db2.gz QNKNRBFQUVXHNZ-OAHLLOKOSA-N 0 3 300.406 2.301 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H]1C ZINC001088883910 782016377 /nfs/dbraw/zinc/01/63/77/782016377.db2.gz RAOWDMKBGGUBEE-PBHICJAKSA-N 0 3 307.397 2.451 20 30 DEEDHN C[C@@H](CNC(=O)CN1CCC[C@H]1C)Nc1cccc(F)c1C#N ZINC001098282668 782016811 /nfs/dbraw/zinc/01/68/11/782016811.db2.gz SHKWJVCRBPLLRZ-QWHCGFSZSA-N 0 3 318.396 2.098 20 30 DEEDHN C[C@@H](NCc1cnc2c(C#N)cnn2c1)[C@H]1COc2ccccc21 ZINC000571524154 292554441 /nfs/dbraw/zinc/55/44/41/292554441.db2.gz RZVFWPKRWVOKMS-MLGOLLRUSA-N 0 3 319.368 2.255 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000129374292 196043345 /nfs/dbraw/zinc/04/33/45/196043345.db2.gz ZTXJRIQGRGWWST-UHFFFAOYSA-N 0 3 315.373 2.495 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129461387 196050759 /nfs/dbraw/zinc/05/07/59/196050759.db2.gz KKEPMLANDZVWEQ-IKGGRYGDSA-N 0 3 316.449 2.355 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCCC#N ZINC000248870515 225240611 /nfs/dbraw/zinc/24/06/11/225240611.db2.gz QMKMROFFECCOAY-DOTOQJQBSA-N 0 3 314.433 2.500 20 30 DEEDHN C[C@H](CO)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000330800422 226033165 /nfs/dbraw/zinc/03/31/65/226033165.db2.gz IQSDQKLZPMGVDG-GJZGRUSLSA-N 0 3 319.449 2.344 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2ccc(F)c(C#N)c2)CCSC1 ZINC000331146872 226063726 /nfs/dbraw/zinc/06/37/26/226063726.db2.gz SRDHOQIREUXEOT-HNNXBMFYSA-N 0 3 322.409 2.461 20 30 DEEDHN C[C@H](O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331180324 226067073 /nfs/dbraw/zinc/06/70/73/226067073.db2.gz GVNIKRWHPURLNQ-YOEHRIQHSA-N 0 3 300.402 2.378 20 30 DEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1O ZINC000351413525 226676777 /nfs/dbraw/zinc/67/67/77/226676777.db2.gz LYEUDPLWQXWOHQ-ULQDDVLXSA-N 0 3 311.385 2.002 20 30 DEEDHN Cc1ocnc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000299339232 229060518 /nfs/dbraw/zinc/06/05/18/229060518.db2.gz CHLVDHJFSMYLNG-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@H]1C ZINC001088896019 782028125 /nfs/dbraw/zinc/02/81/25/782028125.db2.gz KNSPVOYZJOBLSX-PBHICJAKSA-N 0 3 314.404 2.460 20 30 DEEDHN C#CCN(C)CCCNc1nc(Cl)nc2c1COC2(C)C ZINC000491371684 421197417 /nfs/dbraw/zinc/19/74/17/421197417.db2.gz GHKGNBUDLOULDA-UHFFFAOYSA-N 0 3 308.813 2.262 20 30 DEEDHN N#Cc1cc(Br)cnc1NCCN1CCCCCC1 ZINC000336809129 424925554 /nfs/dbraw/zinc/92/55/54/424925554.db2.gz DQHJCTABOVAUSH-UHFFFAOYSA-N 0 3 323.238 3.004 20 30 DEEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CN1Cc1ccccc1 ZINC000563636736 424899170 /nfs/dbraw/zinc/89/91/70/424899170.db2.gz PSFMTYLGHQAICN-XJKSGUPXSA-N 0 3 307.401 2.610 20 30 DEEDHN Nc1ncncc1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000329184680 424903746 /nfs/dbraw/zinc/90/37/46/424903746.db2.gz GAWRVROVTVLOQU-AWEZNQCLSA-N 0 3 303.410 2.312 20 30 DEEDHN CN(C)[C@H](CNc1cc(C#N)cnn1)c1ccc(Cl)cc1 ZINC000596153242 425020311 /nfs/dbraw/zinc/02/03/11/425020311.db2.gz SHVLAQYMNGSMCE-CQSZACIVSA-N 0 3 301.781 2.716 20 30 DEEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443504506 425044026 /nfs/dbraw/zinc/04/40/26/425044026.db2.gz VTBOMMKENGQYQV-UHFFFAOYSA-N 0 3 310.323 3.034 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@H]2CCCOC2)CC1 ZINC000650851700 425066799 /nfs/dbraw/zinc/06/67/99/425066799.db2.gz AVOUAZVWJQXBSE-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCN1CCCCC1 ZINC000651076351 425098307 /nfs/dbraw/zinc/09/83/07/425098307.db2.gz CUPQTVKMYPUGAE-HOTGVXAUSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCCn1cc(CN[C@H](C(C)C)C2(CO)CC=CC2)nn1 ZINC000653776982 425225743 /nfs/dbraw/zinc/22/57/43/425225743.db2.gz GTMJJKFAWDNTLF-MRXNPFEDSA-N 0 3 304.438 2.297 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN(C)CCCOC ZINC000660740943 425221878 /nfs/dbraw/zinc/22/18/78/425221878.db2.gz VMYGUVVIICDGAO-HZPDHXFCSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCC1(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CCCC1 ZINC000664217636 425334434 /nfs/dbraw/zinc/33/44/34/425334434.db2.gz BQINGFCPRFGMPR-MRXNPFEDSA-N 0 3 322.497 2.058 20 30 DEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC#Cc2ccc(F)cc2)C1 ZINC000661221401 425354781 /nfs/dbraw/zinc/35/47/81/425354781.db2.gz VTVPMQBYMNFQED-CGTJXYLNSA-N 0 3 305.393 2.333 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000661380859 425395391 /nfs/dbraw/zinc/39/53/91/425395391.db2.gz QNGFLACOTVQACW-DOTOQJQBSA-N 0 3 314.429 2.394 20 30 DEEDHN C=C[C@H](CO)NC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000662163708 425579215 /nfs/dbraw/zinc/57/92/15/425579215.db2.gz IWWSNDJFXIMDKE-HUUCEWRRSA-N 0 3 310.397 2.292 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662516448 425672200 /nfs/dbraw/zinc/67/22/00/425672200.db2.gz BWAXTMOLIDFVQB-UHFFFAOYSA-N 0 3 313.401 2.216 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000656228302 425738875 /nfs/dbraw/zinc/73/88/75/425738875.db2.gz VNEQMFBNMZTQDJ-CVEARBPZSA-N 0 3 314.433 2.426 20 30 DEEDHN N#Cc1ccnc(NCC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397557524 269106480 /nfs/dbraw/zinc/10/64/80/269106480.db2.gz PEOLAXLBEJDWBR-UHFFFAOYSA-N 0 3 322.412 2.392 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(C#N)cn2)C1 ZINC000496477603 269222032 /nfs/dbraw/zinc/22/20/32/269222032.db2.gz HYWUXXCVWKOKSC-ZFWWWQNUSA-N 0 3 316.405 2.300 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)NCCN1CCCCCC1 ZINC000505367456 269310182 /nfs/dbraw/zinc/31/01/82/269310182.db2.gz BUGOMGDNDXKRSA-UHFFFAOYSA-N 0 3 303.381 2.232 20 30 DEEDHN COc1ccc([C@@H](CNc2ccnc(C#N)n2)N2CCCC2)cc1 ZINC000514950950 269338308 /nfs/dbraw/zinc/33/83/08/269338308.db2.gz LCXUZFZIAPQSIF-MRXNPFEDSA-N 0 3 323.400 2.028 20 30 DEEDHN C#CCNC(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)nc1 ZINC000264858422 273479229 /nfs/dbraw/zinc/47/92/29/273479229.db2.gz KEYUXIXGCMDWQA-QGZVFWFLSA-N 0 3 322.412 2.159 20 30 DEEDHN CS[C@H]1CN(c2snc(C)c2C#N)C[C@@H]1N1CCCC1 ZINC000286502413 274187564 /nfs/dbraw/zinc/18/75/64/274187564.db2.gz AUJLDULMJDAIKZ-STQMWFEESA-N 0 3 308.476 2.339 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000491122162 276785279 /nfs/dbraw/zinc/78/52/79/276785279.db2.gz TZRCWZPOOKYIQX-MLGOLLRUSA-N 0 3 308.809 2.145 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1cc(C#N)ccc1F ZINC000073664509 277573032 /nfs/dbraw/zinc/57/30/32/277573032.db2.gz OXFFYFFGLXJIEH-ZDUSSCGKSA-N 0 3 318.396 2.371 20 30 DEEDHN CS[C@@H]1CN(c2nc(C)c(C#N)cc2Cl)C[C@H]1N(C)C ZINC000292501197 278157554 /nfs/dbraw/zinc/15/75/54/278157554.db2.gz FTDOVWXYRZPESX-CHWSQXEVSA-N 0 3 310.854 2.397 20 30 DEEDHN CC[C@H](N[C@H]1CCOC[C@@H]1OCCOC)c1ccc(C#N)cc1 ZINC000447602176 288090866 /nfs/dbraw/zinc/09/08/66/288090866.db2.gz RQAPVIDMARECJX-BZSNNMDCSA-N 0 3 318.417 2.419 20 30 DEEDHN C[C@H](CCN1CCOCC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358557365 279264372 /nfs/dbraw/zinc/26/43/72/279264372.db2.gz BLUNNJLBORQDRN-ZIAGYGMSSA-N 0 3 305.397 2.459 20 30 DEEDHN CC[C@@H](C)N[C@H](CNC(=O)C1(C#N)CCOCC1)c1ccco1 ZINC000359546068 280112050 /nfs/dbraw/zinc/11/20/50/280112050.db2.gz PUSHDXSNDDVWMY-ZIAGYGMSSA-N 0 3 319.405 2.145 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C#N)cn1 ZINC000084251405 281608961 /nfs/dbraw/zinc/60/89/61/281608961.db2.gz OUADMVMEVLDCQX-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN CN(CCN1CCCC1)C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491449269 289648364 /nfs/dbraw/zinc/64/83/64/289648364.db2.gz OESMZZCKTCPVMF-TWGQIWQCSA-N 0 3 313.401 2.156 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000269100480 290240311 /nfs/dbraw/zinc/24/03/11/290240311.db2.gz RTFDZGPEDOUFOA-KBPBESRZSA-N 0 3 300.362 2.387 20 30 DEEDHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000290595609 293463445 /nfs/dbraw/zinc/46/34/45/293463445.db2.gz REXLGZLSGJMZCM-KFWWJZLASA-N 0 3 303.406 2.335 20 30 DEEDHN O=C(NC[C@H]1CCCCN1C1CC1)N[C@@H]1CCCCC[C@H]1O ZINC000329547338 295378975 /nfs/dbraw/zinc/37/89/75/295378975.db2.gz OPZUWAPXCJXZNJ-BZUAXINKSA-N 0 3 309.454 2.201 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)N(C)C1CC1 ZINC000329718470 298244672 /nfs/dbraw/zinc/24/46/72/298244672.db2.gz YVQGCHYLNUDSCB-XLNGHYISSA-N 0 3 323.481 2.399 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1cnc(C)o1 ZINC001368910115 1148763991 /nfs/dbraw/zinc/76/39/91/1148763991.db2.gz YGWOMGUFBCGKOE-UHFFFAOYSA-N 0 3 313.829 2.352 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)n2cnc3ccccc32)[C@H]1C ZINC001088956612 782076698 /nfs/dbraw/zinc/07/66/98/782076698.db2.gz ZLIFZVCCJXGKPJ-OAGGEKHMSA-N 0 3 324.428 2.200 20 30 DEEDHN COCC1(CNCc2cnc3c(C#N)cnn3c2)CCCCC1 ZINC000573001721 326010548 /nfs/dbraw/zinc/01/05/48/326010548.db2.gz WGMOOKQJKJMNTR-UHFFFAOYSA-N 0 3 313.405 2.287 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000573985211 326112355 /nfs/dbraw/zinc/11/23/55/326112355.db2.gz NROUVCWJNFARHB-OCCSQVGLSA-N 0 3 300.406 2.112 20 30 DEEDHN CC(C)O[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000575744601 326242477 /nfs/dbraw/zinc/24/24/77/326242477.db2.gz AQYCSCWTXQYOMF-MRXNPFEDSA-N 0 3 301.390 2.386 20 30 DEEDHN C=CCn1c(CC)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000569438506 332082799 /nfs/dbraw/zinc/08/27/99/332082799.db2.gz UCQYOLMDGVVGMJ-SOUVJXGZSA-N 0 3 303.454 2.193 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000584271841 332179513 /nfs/dbraw/zinc/17/95/13/332179513.db2.gz BEUMXJWWBRIRTK-HNNXBMFYSA-N 0 3 306.454 2.442 20 30 DEEDHN C=CCN1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000497313654 333234546 /nfs/dbraw/zinc/23/45/46/333234546.db2.gz LMGFYBQLKRHZSG-AWEZNQCLSA-N 0 3 310.438 2.426 20 30 DEEDHN CCCCN(C)CCNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000112310406 334381874 /nfs/dbraw/zinc/38/18/74/334381874.db2.gz NKKRLLAGTJJRLE-JXMROGBWSA-N 0 3 315.417 2.450 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000112367995 334567162 /nfs/dbraw/zinc/56/71/62/334567162.db2.gz TUURAZWCONHJLY-CZUORRHYSA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCCCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000376309251 337031123 /nfs/dbraw/zinc/03/11/23/337031123.db2.gz DEZFQGIBNAOSCW-DLBZAZTESA-N 0 3 322.497 2.010 20 30 DEEDHN C#CCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000174015913 337140536 /nfs/dbraw/zinc/14/05/36/337140536.db2.gz UFFVVFDKVSMXRB-UHFFFAOYSA-N 0 3 309.479 2.061 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000582768171 337141113 /nfs/dbraw/zinc/14/11/13/337141113.db2.gz XIHZLYSCKLJCQC-IKGGRYGDSA-N 0 3 317.433 2.240 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C#N)CC2)C1 ZINC000582941538 337220180 /nfs/dbraw/zinc/22/01/80/337220180.db2.gz VIBMHKPXDJATMN-GDBMZVCRSA-N 0 3 312.417 2.425 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000583079570 337236540 /nfs/dbraw/zinc/23/65/40/337236540.db2.gz BJRPCRSWKQPXBN-CABCVRRESA-N 0 3 311.376 2.179 20 30 DEEDHN COC(=O)N1CCC([C@@H](C)NCC#Cc2ccccc2)CC1 ZINC000496006843 339996423 /nfs/dbraw/zinc/99/64/23/339996423.db2.gz XCCBAKXATJOKCH-OAHLLOKOSA-N 0 3 300.402 2.495 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496402284 340004743 /nfs/dbraw/zinc/00/47/43/340004743.db2.gz KDGLEEJENPQUGW-DYVFJYSZSA-N 0 3 321.421 2.396 20 30 DEEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2COCCN2)cc1 ZINC000530224425 340783044 /nfs/dbraw/zinc/78/30/44/340783044.db2.gz RJZZTUQQGGZTPN-DZGCQCFKSA-N 0 3 310.825 2.457 20 30 DEEDHN COC(=O)c1ccccc1OCCN1CCC(CC#N)CC1 ZINC000543906132 341062959 /nfs/dbraw/zinc/06/29/59/341062959.db2.gz VUIIORGDKDNZMT-UHFFFAOYSA-N 0 3 302.374 2.478 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ncccc2OC)CC1 ZINC000544403384 341080545 /nfs/dbraw/zinc/08/05/45/341080545.db2.gz OOGMBNORIUCODA-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN C[C@H](C#N)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552014583 341360731 /nfs/dbraw/zinc/36/07/31/341360731.db2.gz POTHDGAKSOEGPH-HIFRSBDPSA-N 0 3 321.371 2.420 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)NCC2(C#N)CC2)[C@H](C(F)(F)F)C1 ZINC000552133842 341372224 /nfs/dbraw/zinc/37/22/24/341372224.db2.gz UFQPZUOQZDYJMK-GHMZBOCLSA-N 0 3 317.355 2.315 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)OC3(CCC3)C2)CC1 ZINC000575799128 341805178 /nfs/dbraw/zinc/80/51/78/341805178.db2.gz UNZVTECKKAKOLZ-HNNXBMFYSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)CN(C(C)C)C1=O)C(C)C ZINC000349227185 341966552 /nfs/dbraw/zinc/96/65/52/341966552.db2.gz FPVDZELLGAQKLQ-OAHLLOKOSA-N 0 3 307.438 2.358 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncccc2OC(C)C)[C@H]1C ZINC001089012373 782112175 /nfs/dbraw/zinc/11/21/75/782112175.db2.gz SUGGMKBPFREZRD-CABCVRRESA-N 0 3 315.417 2.085 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC001357202744 1152269073 /nfs/dbraw/zinc/26/90/73/1152269073.db2.gz OVPZTNONTPAXCZ-CYBMUJFWSA-N 0 3 309.797 2.322 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1nc2c(cccc2OC)n1C ZINC001357524180 1152307629 /nfs/dbraw/zinc/30/76/29/1152307629.db2.gz BOJZQOBQGFATHW-NSHDSACASA-N 0 3 302.378 2.204 20 30 DEEDHN Cc1cc(CN[C@@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)no1 ZINC001378373407 1152308906 /nfs/dbraw/zinc/30/89/06/1152308906.db2.gz QXHWFCXTMZMATQ-WFASDCNBSA-N 0 3 306.410 2.105 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC001378460874 1152337625 /nfs/dbraw/zinc/33/76/25/1152337625.db2.gz DKVPGWUGCWAVNV-CQSZACIVSA-N 0 3 310.829 2.066 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)COCc1ccncc1 ZINC001329937796 1149019483 /nfs/dbraw/zinc/01/94/83/1149019483.db2.gz OHHOEELEXDACHS-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)s2)CCN1C ZINC000422212034 533890895 /nfs/dbraw/zinc/89/08/95/533890895.db2.gz DISCAKJPQNEZKK-VXGBXAGGSA-N 0 3 306.435 2.244 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)Cc3ccccc3)[C@@H]2C1 ZINC001330340564 1149095232 /nfs/dbraw/zinc/09/52/32/1149095232.db2.gz SUQYGKRXZFVQEW-MKXGPGLRSA-N 0 3 310.441 2.183 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](OCC)C(C)C)C1 ZINC001378829727 1152459953 /nfs/dbraw/zinc/45/99/53/1152459953.db2.gz BTTVVDFNZFMQJC-MGPQQGTHSA-N 0 3 302.846 2.284 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2C[C@H]3CCN(C)[C@H]3C2)c1C ZINC000451630128 534434571 /nfs/dbraw/zinc/43/45/71/534434571.db2.gz LGOQEPKWYPHMFJ-WBVHZDCISA-N 0 3 301.434 2.110 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC)Cc1cccc(F)c1 ZINC000451677056 534571397 /nfs/dbraw/zinc/57/13/97/534571397.db2.gz FYDZQMRFEFJHDM-SJORKVTESA-N 0 3 320.408 2.497 20 30 DEEDHN N#CCCCOc1cccc(CN2CC[C@H](n3cncn3)C2)c1 ZINC000364509641 534616019 /nfs/dbraw/zinc/61/60/19/534616019.db2.gz MTFCYXAEEYXXHC-INIZCTEOSA-N 0 3 311.389 2.408 20 30 DEEDHN N#CCOc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000268979652 534694053 /nfs/dbraw/zinc/69/40/53/534694053.db2.gz QHDARRLMTCYMDU-HZPDHXFCSA-N 0 3 304.415 2.295 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(C#N)[nH]2)c1 ZINC000124828590 524382997 /nfs/dbraw/zinc/38/29/97/524382997.db2.gz LWZOFRWVCDDSBB-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCCCC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368427549 526289123 /nfs/dbraw/zinc/28/91/23/526289123.db2.gz WOBBZVUSHVCFFA-UHFFFAOYSA-N 0 3 319.493 2.056 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(OCC3CC3)CC2)CC1 ZINC000369740218 526426070 /nfs/dbraw/zinc/42/60/70/526426070.db2.gz GCBQKUYYAKXJQP-UHFFFAOYSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2c2ccccc2)CC1 ZINC000369478059 526444325 /nfs/dbraw/zinc/44/43/25/526444325.db2.gz XLGYTACHKSANPY-GOSISDBHSA-N 0 3 313.445 2.422 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429294811 526537943 /nfs/dbraw/zinc/53/79/43/526537943.db2.gz SEROESNPXZONKD-HIFRSBDPSA-N 0 3 302.418 2.262 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429294809 526543496 /nfs/dbraw/zinc/54/34/96/526543496.db2.gz SEROESNPXZONKD-DZGCQCFKSA-N 0 3 302.418 2.262 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000330655577 526577344 /nfs/dbraw/zinc/57/73/44/526577344.db2.gz OEHFFBGHOZUSOQ-ZDUSSCGKSA-N 0 3 319.453 2.334 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@](C)(CC)C2)CC1 ZINC000188001006 526587335 /nfs/dbraw/zinc/58/73/35/526587335.db2.gz DXJIXBXGOUOFBS-QGZVFWFLSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000373459051 526588018 /nfs/dbraw/zinc/58/80/18/526588018.db2.gz KUOHPSJLAPUITI-WMLDXEAASA-N 0 3 321.465 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)CC1 ZINC000332482563 526593225 /nfs/dbraw/zinc/59/32/25/526593225.db2.gz QGNLWPMTSXKBMP-BMFZPTHFSA-N 0 3 323.481 2.386 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](COCC)C(C)C)CC1 ZINC000190558775 526593915 /nfs/dbraw/zinc/59/39/15/526593915.db2.gz ARZXXPLEDVDGRE-MRXNPFEDSA-N 0 3 311.470 2.387 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000368794024 526606265 /nfs/dbraw/zinc/60/62/65/526606265.db2.gz DPKRWLOKTHKUTH-UHFFFAOYSA-N 0 3 302.418 2.348 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000296697769 526738347 /nfs/dbraw/zinc/73/83/47/526738347.db2.gz DSLJZGMWRGSKML-MAUKXSAKSA-N 0 3 312.413 2.255 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000294525237 526740941 /nfs/dbraw/zinc/74/09/41/526740941.db2.gz ILNXNLRDFLJKCR-AWEZNQCLSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCOCCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000292725283 526770124 /nfs/dbraw/zinc/77/01/24/526770124.db2.gz GCXGCFHTRGQFHA-UHFFFAOYSA-N 0 3 313.401 2.411 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1ccccc1OC ZINC000297628462 526811255 /nfs/dbraw/zinc/81/12/55/526811255.db2.gz LAUUWNJMGGHVKW-UHFFFAOYSA-N 0 3 317.433 2.185 20 30 DEEDHN C#CCN(C)CCCNc1nc(-c2cccnc2)nc2c1CCC2 ZINC000292809724 526829805 /nfs/dbraw/zinc/82/98/05/526829805.db2.gz NYRGAICHLSJCST-UHFFFAOYSA-N 0 3 321.428 2.394 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000294987428 526854877 /nfs/dbraw/zinc/85/48/77/526854877.db2.gz MRPLMRQDRAQRNT-UHFFFAOYSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CC[C@@H](CO)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000341802881 527064423 /nfs/dbraw/zinc/06/44/23/527064423.db2.gz SJWJTSFLQTYTRJ-NVXWUHKLSA-N 0 3 319.449 2.082 20 30 DEEDHN C#CC[C@@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292537731 527163637 /nfs/dbraw/zinc/16/36/37/527163637.db2.gz JHYGOMCAZYWBJL-IEBWSBKVSA-N 0 3 311.429 2.488 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@]12CCOC2 ZINC000341914128 527265424 /nfs/dbraw/zinc/26/54/24/527265424.db2.gz LFJREDXIYOQLEI-MJGOQNOKSA-N 0 3 317.429 2.410 20 30 DEEDHN C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000340817842 527398125 /nfs/dbraw/zinc/39/81/25/527398125.db2.gz KGDJWYFIBBVRPU-CQSZACIVSA-N 0 3 315.417 2.302 20 30 DEEDHN CC(C)(C#N)CCCCN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339411966 527461279 /nfs/dbraw/zinc/46/12/79/527461279.db2.gz KWKRXJMADLLPFP-OAHLLOKOSA-N 0 3 305.426 2.127 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000370494190 527489614 /nfs/dbraw/zinc/48/96/14/527489614.db2.gz ADMPABJLYQJCMF-KRWDZBQOSA-N 0 3 308.466 2.428 20 30 DEEDHN CCC1(O)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000441345143 527809218 /nfs/dbraw/zinc/80/92/18/527809218.db2.gz FOCNHTJJUNXVSR-UHFFFAOYSA-N 0 3 307.419 2.185 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000331301732 527930971 /nfs/dbraw/zinc/93/09/71/527930971.db2.gz AEJIBJNJJNNKCG-GASCZTMLSA-N 0 3 314.433 2.301 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000330442670 528853666 /nfs/dbraw/zinc/85/36/66/528853666.db2.gz FLQNEIUYYZUFSH-QGPMSJSTSA-N 0 3 321.465 2.178 20 30 DEEDHN CC(C)N1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000292433299 529009658 /nfs/dbraw/zinc/00/96/58/529009658.db2.gz MHTGSTXFOUYHCB-HNNXBMFYSA-N 0 3 314.433 2.301 20 30 DEEDHN CC(C)N(CCN(C)S(=O)(=O)c1ccccc1C#N)C(C)C ZINC000355783663 535064597 /nfs/dbraw/zinc/06/45/97/535064597.db2.gz JLCJIOMKSSEVOH-UHFFFAOYSA-N 0 3 323.462 2.298 20 30 DEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cnccc1C#N ZINC000358921893 535073853 /nfs/dbraw/zinc/07/38/53/535073853.db2.gz RFFSGEXLXYDQBZ-OAHLLOKOSA-N 0 3 300.406 2.194 20 30 DEEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000358793795 535634364 /nfs/dbraw/zinc/63/43/64/535634364.db2.gz ROZLFHXQNXHXOD-JHJVBQTASA-N 0 3 317.389 2.063 20 30 DEEDHN CN(C)CCOC1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000356222017 535893013 /nfs/dbraw/zinc/89/30/13/535893013.db2.gz NCLRQVNUTRUXJK-UHFFFAOYSA-N 0 3 309.360 2.383 20 30 DEEDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000451624610 536645176 /nfs/dbraw/zinc/64/51/76/536645176.db2.gz RLDHSYDXQAORCR-TZMCWYRMSA-N 0 3 307.781 2.307 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1OC)C2 ZINC000374691443 536840815 /nfs/dbraw/zinc/84/08/15/536840815.db2.gz DJEYRHXGPIFDTE-YJBOKZPZSA-N 0 3 314.385 2.342 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1ccncc1)C(C)C ZINC001378982811 1152518045 /nfs/dbraw/zinc/51/80/45/1152518045.db2.gz WAXKCUBJMKCKLN-OAHLLOKOSA-N 0 3 309.841 2.497 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1c2c(nn1C)CCC2)C(C)C ZINC001379001667 1152525176 /nfs/dbraw/zinc/52/51/76/1152525176.db2.gz UBRUEYRGRKFHJO-CQSZACIVSA-N 0 3 324.856 2.005 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000835064524 649874338 /nfs/dbraw/zinc/87/43/38/649874338.db2.gz FYIDYRSDEYLARB-BXUZGUMPSA-N 0 3 304.346 2.158 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001368712958 1148607779 /nfs/dbraw/zinc/60/77/79/1148607779.db2.gz FARWHXKXYNSAGK-QMMMGPOBSA-N 0 3 305.209 2.222 20 30 DEEDHN CC(C)OCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001379100949 1152567958 /nfs/dbraw/zinc/56/79/58/1152567958.db2.gz NRIOKMODQDIFHX-ZDUSSCGKSA-N 0 3 321.396 2.059 20 30 DEEDHN COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000821818009 599401308 /nfs/dbraw/zinc/40/13/08/599401308.db2.gz HHLWAQLJRDLHRN-UHFFFAOYSA-N 0 3 320.356 2.037 20 30 DEEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819976010 599429863 /nfs/dbraw/zinc/42/98/63/599429863.db2.gz HTMAZUHSSGTCNM-UHFFFAOYSA-N 0 3 302.357 2.425 20 30 DEEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819976010 599429864 /nfs/dbraw/zinc/42/98/64/599429864.db2.gz HTMAZUHSSGTCNM-UHFFFAOYSA-N 0 3 302.357 2.425 20 30 DEEDHN CC(C)C#CC(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC001327982987 1148692484 /nfs/dbraw/zinc/69/24/84/1148692484.db2.gz ZZUKFENPXFJGQQ-UHFFFAOYSA-N 0 3 305.447 2.273 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3coc(C(F)F)c3)[C@@H]2C1 ZINC000978635804 634381694 /nfs/dbraw/zinc/38/16/94/634381694.db2.gz CKVWSXAHODLMKN-XYYAHUGASA-N 0 3 308.328 2.148 20 30 DEEDHN C=CCCOCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823899137 609153873 /nfs/dbraw/zinc/15/38/73/609153873.db2.gz NDDAJSQDVCTUDV-NSHDSACASA-N 0 3 305.357 2.249 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001023467030 625282921 /nfs/dbraw/zinc/28/29/21/625282921.db2.gz ULGHNLDDXDCPPK-MRXNPFEDSA-N 0 3 314.429 2.387 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nccc(C)n1 ZINC001025225701 625283716 /nfs/dbraw/zinc/28/37/16/625283716.db2.gz GBNMWEOPUYPNBB-CVEARBPZSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3cccnc32)C1 ZINC001023471942 625284515 /nfs/dbraw/zinc/28/45/15/625284515.db2.gz NINZXTQJWWZTRP-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(OC)no1 ZINC001025224073 625285391 /nfs/dbraw/zinc/28/53/91/625285391.db2.gz LDLFOOLAXADRCG-ZIAGYGMSSA-N 0 3 319.405 2.328 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2onc3c2CCCC3)C1 ZINC001023486470 625292381 /nfs/dbraw/zinc/29/23/81/625292381.db2.gz PWOFYGFUGFCZMQ-AWEZNQCLSA-N 0 3 315.417 2.019 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(C)noc2C2CC2)C1 ZINC001023493048 625298159 /nfs/dbraw/zinc/29/81/59/625298159.db2.gz MWJGFAUQVFKKCH-ZDUSSCGKSA-N 0 3 303.406 2.488 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)cc(C)nc2C)C1 ZINC001023501561 625300632 /nfs/dbraw/zinc/30/06/32/625300632.db2.gz BYZUJVSOVGVHFQ-KRWDZBQOSA-N 0 3 313.445 2.472 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)cn3ccnc23)C1 ZINC001023508401 625303147 /nfs/dbraw/zinc/30/31/47/625303147.db2.gz PCXDZDMINMBYSV-MRXNPFEDSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001023512083 625304098 /nfs/dbraw/zinc/30/40/98/625304098.db2.gz GIAFXMDOQTWFNK-AWEZNQCLSA-N 0 3 300.402 2.233 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1csnn1 ZINC001025255441 625310077 /nfs/dbraw/zinc/31/00/77/625310077.db2.gz PQOMOFUBPMALFJ-UONOGXRCSA-N 0 3 306.435 2.183 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001023548184 625321927 /nfs/dbraw/zinc/32/19/27/625321927.db2.gz DALOATYVNDIFNH-GJZGRUSLSA-N 0 3 312.413 2.258 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cncc3sccc32)C1 ZINC001023554320 625323529 /nfs/dbraw/zinc/32/35/29/625323529.db2.gz KETYMPQDFDGIAW-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1C ZINC000947567739 625325099 /nfs/dbraw/zinc/32/50/99/625325099.db2.gz HNFLRBMEJVBTEB-TZMCWYRMSA-N 0 3 314.389 2.438 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001023561680 625325606 /nfs/dbraw/zinc/32/56/06/625325606.db2.gz FIGVPVHJQZQTPW-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001025284550 625326512 /nfs/dbraw/zinc/32/65/12/625326512.db2.gz MGJCPQAORBPNGW-MSOLQXFVSA-N 0 3 311.429 2.482 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001025293339 625328031 /nfs/dbraw/zinc/32/80/31/625328031.db2.gz CBSFXDFVJWYDKI-HOTGVXAUSA-N 0 3 302.422 2.065 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001023619219 625352946 /nfs/dbraw/zinc/35/29/46/625352946.db2.gz DOUGEFFBTPRTJM-APWZRJJASA-N 0 3 310.441 2.253 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc3c2OCCCO3)C1 ZINC000972613925 625357379 /nfs/dbraw/zinc/35/73/79/625357379.db2.gz FQLFYURGOCSMOL-CQSZACIVSA-N 0 3 316.401 2.180 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001023631638 625363153 /nfs/dbraw/zinc/36/31/53/625363153.db2.gz XJKQONSYFUUPNM-AWEZNQCLSA-N 0 3 323.396 2.015 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc(C)s2)C1 ZINC001025365711 625384252 /nfs/dbraw/zinc/38/42/52/625384252.db2.gz OKOSGZWEGBZKMI-TZMCWYRMSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c3ccccc3nn2C)C1 ZINC001023686354 625387772 /nfs/dbraw/zinc/38/77/72/625387772.db2.gz SYCBCAXNGZEFSA-HNNXBMFYSA-N 0 3 324.428 2.038 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001023692198 625390294 /nfs/dbraw/zinc/39/02/94/625390294.db2.gz UTTVYJAFCFJMPD-LBPRGKRZSA-N 0 3 324.856 2.264 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnn(CCCC)c2C)C1 ZINC001023694724 625390632 /nfs/dbraw/zinc/39/06/32/625390632.db2.gz JENALWFBTDIPBM-INIZCTEOSA-N 0 3 316.449 2.067 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)sn2)C1 ZINC001025387759 625396553 /nfs/dbraw/zinc/39/65/53/625396553.db2.gz CMTFSAARVZRCIA-KBPBESRZSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001023734975 625411480 /nfs/dbraw/zinc/41/14/80/625411480.db2.gz IIXYSSAWIVPDMT-ZDUSSCGKSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cn3c(cccc3C)n2)C1 ZINC001023740073 625414813 /nfs/dbraw/zinc/41/48/13/625414813.db2.gz XYYXUKSYCHGHPA-MRXNPFEDSA-N 0 3 324.428 2.108 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(F)cccc2OC)C1 ZINC001025419551 625419090 /nfs/dbraw/zinc/41/90/90/625419090.db2.gz MLVRILPDFNKAEP-UONOGXRCSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001023743594 625418593 /nfs/dbraw/zinc/41/85/93/625418593.db2.gz CLXQHTRBKHOAHL-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001025431845 625429061 /nfs/dbraw/zinc/42/90/61/625429061.db2.gz QRLIDTBAIVIGDM-QWHCGFSZSA-N 0 3 324.375 2.050 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CC)n2)C1 ZINC001025442234 625437619 /nfs/dbraw/zinc/43/76/19/625437619.db2.gz KDIBPLCXVJNYRM-CVEARBPZSA-N 0 3 313.445 2.498 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001019246187 625452654 /nfs/dbraw/zinc/45/26/54/625452654.db2.gz BCDKDRUAMGCBEW-KBPBESRZSA-N 0 3 307.344 2.136 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001025465721 625459632 /nfs/dbraw/zinc/45/96/32/625459632.db2.gz VNKJZYYYTWOSQY-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)C[C@H]1C ZINC000947596934 625460216 /nfs/dbraw/zinc/46/02/16/625460216.db2.gz DQJYWUZCGVYILQ-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001025467793 625461984 /nfs/dbraw/zinc/46/19/84/625461984.db2.gz DAWKHYRAQORJMN-CABCVRRESA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(COC)cs2)C1 ZINC001025475261 625466919 /nfs/dbraw/zinc/46/69/19/625466919.db2.gz SEVNIBGADYSPPG-UKRRQHHQSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(Cl)cn2C)C1 ZINC001025476741 625468533 /nfs/dbraw/zinc/46/85/33/625468533.db2.gz BXLJRRYMCHRNFZ-STQMWFEESA-N 0 3 307.825 2.142 20 30 DEEDHN CCc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001023894233 625471910 /nfs/dbraw/zinc/47/19/10/625471910.db2.gz APIFTGDJAPMZBA-STQMWFEESA-N 0 3 320.462 2.193 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001025486349 625477667 /nfs/dbraw/zinc/47/76/67/625477667.db2.gz UAOUAPOTXHHLLU-DOTOQJQBSA-N 0 3 313.445 2.470 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc(COC)c2)C1 ZINC000972706718 625485256 /nfs/dbraw/zinc/48/52/56/625485256.db2.gz FBBGPOVDQVYURJ-QGZVFWFLSA-N 0 3 302.418 2.094 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C3CC3)on2)C1 ZINC001025496627 625486012 /nfs/dbraw/zinc/48/60/12/625486012.db2.gz UFPIDXOBLCJOCP-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(F)ccc2OC)C1 ZINC001025498417 625486540 /nfs/dbraw/zinc/48/65/40/625486540.db2.gz GHZSTPDIWSFYOH-KGLIPLIRSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001025501806 625490605 /nfs/dbraw/zinc/49/06/05/625490605.db2.gz KISKAABCRYNQSV-LSDHHAIUSA-N 0 3 316.449 2.216 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(F)ccc2OC)C[C@@H]1C ZINC000947598398 625491165 /nfs/dbraw/zinc/49/11/65/625491165.db2.gz NCBYQSVFKUMNLF-ZFWWWQNUSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(OC)c2C)C1 ZINC001025537855 625521055 /nfs/dbraw/zinc/52/10/55/625521055.db2.gz BJOCGCMFNRGCPX-CVEARBPZSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2sc(CC)nc2C)C1 ZINC001025555438 625544000 /nfs/dbraw/zinc/54/40/00/625544000.db2.gz NGHGTAKQNYJBRU-TZMCWYRMSA-N 0 3 319.474 2.477 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001020418464 622620803 /nfs/dbraw/zinc/62/08/03/622620803.db2.gz XMGQBDRANXFVHH-AJNGGQMLSA-N 0 3 312.841 2.323 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001020433735 622639658 /nfs/dbraw/zinc/63/96/58/622639658.db2.gz SOWMNKLJNPPIEE-HDJSIYSDSA-N 0 3 312.841 2.183 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001024092695 625586116 /nfs/dbraw/zinc/58/61/16/625586116.db2.gz GMQQOHWMUPBDRR-GXTWGEPZSA-N 0 3 319.453 2.215 20 30 DEEDHN CCCOCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000123694866 625586187 /nfs/dbraw/zinc/58/61/87/625586187.db2.gz YLFZKCCWAJBGQB-GFCCVEGCSA-N 0 3 304.346 2.159 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(CCC)on2)C1 ZINC001025582293 625590803 /nfs/dbraw/zinc/59/08/03/625590803.db2.gz QQULIPVFTYXCSU-KGLIPLIRSA-N 0 3 303.406 2.091 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001020543933 622777167 /nfs/dbraw/zinc/77/71/67/622777167.db2.gz COEBGQDSAXJACT-HAQNSBGRSA-N 0 3 324.856 2.321 20 30 DEEDHN C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001020549178 622794111 /nfs/dbraw/zinc/79/41/11/622794111.db2.gz SKVPNCFMSBYNRW-MZGVZZPPSA-N 0 3 315.392 2.480 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3conc3CC)C2)C1 ZINC001020562528 622854269 /nfs/dbraw/zinc/85/42/69/622854269.db2.gz BVZIFSNIEHKHCY-HDJSIYSDSA-N 0 3 303.406 2.330 20 30 DEEDHN C#Cc1cncc(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)c1 ZINC000969888297 622976888 /nfs/dbraw/zinc/97/68/88/622976888.db2.gz KTCIEUQHEMZXAS-GOSISDBHSA-N 0 3 323.371 2.206 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC000969992991 623043273 /nfs/dbraw/zinc/04/32/73/623043273.db2.gz RJFAKLDVUAZPPQ-CYBMUJFWSA-N 0 3 316.449 2.314 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2oc(CCC)nc2C)C1 ZINC001025596012 625616155 /nfs/dbraw/zinc/61/61/55/625616155.db2.gz VNLMGSUEQDVJEQ-UKRRQHHQSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2oc(CCC)nc2C)C1 ZINC001025596011 625616699 /nfs/dbraw/zinc/61/66/99/625616699.db2.gz VNLMGSUEQDVJEQ-HIFRSBDPSA-N 0 3 317.433 2.399 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001020877881 623171357 /nfs/dbraw/zinc/17/13/57/623171357.db2.gz NWYWQBBKPQOPIP-AJNGGQMLSA-N 0 3 314.857 2.427 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(Cl)cn2)C1 ZINC001025602324 625627198 /nfs/dbraw/zinc/62/71/98/625627198.db2.gz DPVCGGQVIQBHQN-CHWSQXEVSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC000970165197 623210544 /nfs/dbraw/zinc/21/05/44/623210544.db2.gz BHUWOQHYJJJFJH-NSHDSACASA-N 0 3 315.373 2.160 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001021000245 623258394 /nfs/dbraw/zinc/25/83/94/623258394.db2.gz YRBWPNOAMGRWEI-JYJNAYRXSA-N 0 3 320.820 2.117 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC000970220701 623343460 /nfs/dbraw/zinc/34/34/60/623343460.db2.gz PVPQICYHCXGEFK-AWEZNQCLSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(F)c(F)cc2F)C1 ZINC000970349055 623410275 /nfs/dbraw/zinc/41/02/75/623410275.db2.gz VDHRXQCPSHVJRR-JTQLQIEISA-N 0 3 310.319 2.177 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC001025614070 625646672 /nfs/dbraw/zinc/64/66/72/625646672.db2.gz FXICRSZDYPLTJB-QWHCGFSZSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000970436683 623453737 /nfs/dbraw/zinc/45/37/37/623453737.db2.gz LKMFGHIQVKKOHA-CYBMUJFWSA-N 0 3 311.429 2.341 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970447717 623456954 /nfs/dbraw/zinc/45/69/54/623456954.db2.gz RUBPMHHVOOXWEW-OLMNPRSZSA-N 0 3 314.429 2.214 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000970465321 623464676 /nfs/dbraw/zinc/46/46/76/623464676.db2.gz RYBWZWGUDOMZRU-GFCCVEGCSA-N 0 3 314.389 2.296 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC000970519618 623517866 /nfs/dbraw/zinc/51/78/66/623517866.db2.gz XSXDPIWEMVELFP-HNNXBMFYSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)noc2CC)C1 ZINC001025618763 625657075 /nfs/dbraw/zinc/65/70/75/625657075.db2.gz MUKVSVRYOVGIEF-DZGCQCFKSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2oc(CC(C)C)nc2C)C1 ZINC000970546458 623533586 /nfs/dbraw/zinc/53/35/86/623533586.db2.gz 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IJTPYAVGYXZPLD-PHIMTYICSA-N 0 3 309.797 2.156 20 30 DEEDHN C#CCSCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000888954504 634423186 /nfs/dbraw/zinc/42/31/86/634423186.db2.gz OWSJULYWHNHDKW-UHFFFAOYSA-N 0 3 308.422 2.082 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001022844073 625025047 /nfs/dbraw/zinc/02/50/47/625025047.db2.gz MMSHKJUACZJABV-GASCZTMLSA-N 0 3 306.793 2.320 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001024753813 625036345 /nfs/dbraw/zinc/03/63/45/625036345.db2.gz HTRATXBJYZBKOL-AWEZNQCLSA-N 0 3 316.449 2.069 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000972411963 625061933 /nfs/dbraw/zinc/06/19/33/625061933.db2.gz ZBADUVCTZYPBKH-LBPRGKRZSA-N 0 3 300.362 2.002 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001024821870 625067091 /nfs/dbraw/zinc/06/70/91/625067091.db2.gz UVXFDOKOTJLMJJ-MRXNPFEDSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001024818741 625067638 /nfs/dbraw/zinc/06/76/38/625067638.db2.gz HWWGZHSGGNFOAZ-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000947517038 625068346 /nfs/dbraw/zinc/06/83/46/625068346.db2.gz ZPBUPYNGKNZGSD-NVXWUHKLSA-N 0 3 314.429 2.148 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892530486 625106000 /nfs/dbraw/zinc/10/60/00/625106000.db2.gz PFXAKOJNIPGYBI-ZHDCTAKOSA-N 0 3 306.431 2.428 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001023151971 625170652 /nfs/dbraw/zinc/17/06/52/625170652.db2.gz OQKBPAHWENBKHC-CRWXNKLISA-N 0 3 300.830 2.181 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1ccnn1C ZINC001025070476 625193360 /nfs/dbraw/zinc/19/33/60/625193360.db2.gz ZONSGHMFZOAVEZ-SJLPKXTDSA-N 0 3 318.465 2.493 20 30 DEEDHN CC[C@H](F)CN1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319668 625227534 /nfs/dbraw/zinc/22/75/34/625227534.db2.gz GHDAZFCHPNSTKO-OCCSQVGLSA-N 0 3 306.385 2.076 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001027690935 634445884 /nfs/dbraw/zinc/44/58/84/634445884.db2.gz SHUVUPKLVKEQPB-SJORKVTESA-N 0 3 302.393 2.123 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)n(C)n1 ZINC001025211135 625268889 /nfs/dbraw/zinc/26/88/89/625268889.db2.gz SDWODUMQIWFNKQ-IRXDYDNUSA-N 0 3 316.449 2.374 20 30 DEEDHN Cc1ncoc1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026756815 625732878 /nfs/dbraw/zinc/73/28/78/625732878.db2.gz PYCBZWNJSGXJBH-CQSZACIVSA-N 0 3 324.384 2.107 20 30 DEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001024445530 625770462 /nfs/dbraw/zinc/77/04/62/625770462.db2.gz OWFNMGSNISGLGS-LBPRGKRZSA-N 0 3 309.435 2.312 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001024459275 625785705 /nfs/dbraw/zinc/78/57/05/625785705.db2.gz QAPHFGVWXDQSOW-CYBMUJFWSA-N 0 3 322.840 2.164 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001024512226 625829826 /nfs/dbraw/zinc/82/98/26/625829826.db2.gz VPGDXKMLTZGOKY-INIZCTEOSA-N 0 3 324.428 2.181 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001024515708 625831767 /nfs/dbraw/zinc/83/17/67/625831767.db2.gz ZMHIAZHMVJPFKB-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2csc(C3CC3)n2)C1 ZINC001027701313 634456956 /nfs/dbraw/zinc/45/69/56/634456956.db2.gz UNPAXKBTHHHXIC-ZDUSSCGKSA-N 0 3 303.431 2.190 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2coc(=O)c3ccccc23)C[C@H]1C ZINC000947611217 625848334 /nfs/dbraw/zinc/84/83/34/625848334.db2.gz IIGFTWKJUTVASK-ZIAGYGMSSA-N 0 3 324.380 2.009 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H](C)CO2)cc1 ZINC000892490448 625885977 /nfs/dbraw/zinc/88/59/77/625885977.db2.gz TWLIOVDIUGOJQO-GLQYFDAESA-N 0 3 300.358 2.321 20 30 DEEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000892496666 625897730 /nfs/dbraw/zinc/89/77/30/625897730.db2.gz QKHNPVLSOMRNNJ-LBPRGKRZSA-N 0 3 317.414 2.249 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C4CC4)s3)[C@@H]2C1 ZINC000978974512 634468554 /nfs/dbraw/zinc/46/85/54/634468554.db2.gz UNNBVZNTKHHSGJ-ZSOGYDGISA-N 0 3 300.427 2.166 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(CC)c(C)s3)[C@@H]2C1 ZINC000979067006 634493756 /nfs/dbraw/zinc/49/37/56/634493756.db2.gz XXMXURNQIDHKKS-QKDCVEJESA-N 0 3 302.443 2.160 20 30 DEEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)NC1CCCC1 ZINC000125732197 634579894 /nfs/dbraw/zinc/57/98/94/634579894.db2.gz JBGHRTSLJQFSMM-INIZCTEOSA-N 0 3 314.385 2.361 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC000999518483 634616409 /nfs/dbraw/zinc/61/64/09/634616409.db2.gz WBTADIXPDLLBGK-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2oc(CC)nc2C)C1 ZINC000999646773 634644744 /nfs/dbraw/zinc/64/47/44/634644744.db2.gz CNRYPEIWUMIUEK-UHFFFAOYSA-N 0 3 311.813 2.491 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC000999897907 634695391 /nfs/dbraw/zinc/69/53/91/634695391.db2.gz GHSACWJZBCOBIB-ZDUSSCGKSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ncccc2OCC)C1 ZINC000999931037 634710564 /nfs/dbraw/zinc/71/05/64/634710564.db2.gz OSQHNFNKPBITJG-UHFFFAOYSA-N 0 3 323.824 2.425 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3nc(C)sc3C)CC2)CC1 ZINC001000190047 634783500 /nfs/dbraw/zinc/78/35/00/634783500.db2.gz RKBQKQWRFPLCGZ-UHFFFAOYSA-N 0 3 317.458 2.368 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCSc1ccccc1 ZINC000836186428 650061392 /nfs/dbraw/zinc/06/13/92/650061392.db2.gz MIJRZBJCKBGKFU-UHFFFAOYSA-N 0 3 319.474 2.423 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)CCc1ccccc1 ZINC000836186187 650061528 /nfs/dbraw/zinc/06/15/28/650061528.db2.gz ZEDUDTMTAKJSKS-MRXNPFEDSA-N 0 3 301.434 2.262 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000836490310 650097650 /nfs/dbraw/zinc/09/76/50/650097650.db2.gz UGDQKLUMLIJGII-UHFFFAOYSA-N 0 3 319.836 2.363 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000177564242 632937789 /nfs/dbraw/zinc/93/77/89/632937789.db2.gz QZBPZKNOKIIJCZ-HIFRSBDPSA-N 0 3 315.417 2.466 20 30 DEEDHN Cc1cc(F)c(C#N)c(N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000893374726 633126727 /nfs/dbraw/zinc/12/67/27/633126727.db2.gz CWPGSKDLPJSJJQ-ZDUSSCGKSA-N 0 3 305.397 2.287 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C(C)(C)C1 ZINC000974587281 633168262 /nfs/dbraw/zinc/16/82/62/633168262.db2.gz JDHWMLBJRNRVPI-BBWFWOEESA-N 0 3 320.477 2.288 20 30 DEEDHN Cc1nc(CNC[C@@H]2CCN(C(=O)C#CC3CC3)C2)sc1C ZINC001026834452 633170937 /nfs/dbraw/zinc/17/09/37/633170937.db2.gz YXKZWWFZNGNJQX-HNNXBMFYSA-N 0 3 317.458 2.111 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000996139003 633194561 /nfs/dbraw/zinc/19/45/61/633194561.db2.gz WSUBIIVWRRCTAK-OAHLLOKOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C(C)(C)C1 ZINC000974661682 633207805 /nfs/dbraw/zinc/20/78/05/633207805.db2.gz IBAJBIMJXFPSLM-HNNXBMFYSA-N 0 3 315.417 2.291 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1(C)C ZINC000996398653 633254278 /nfs/dbraw/zinc/25/42/78/633254278.db2.gz IUQSBSBIRQJTIF-RISCZKNCSA-N 0 3 324.856 2.167 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1(C)C ZINC000996398653 633254282 /nfs/dbraw/zinc/25/42/82/633254282.db2.gz IUQSBSBIRQJTIF-RISCZKNCSA-N 0 3 324.856 2.167 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)n3ccccc23)C(C)(C)C1 ZINC000974819704 633315406 /nfs/dbraw/zinc/31/54/06/633315406.db2.gz OTPXECTXUMUYRK-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnn(CCCC)c2CC)C1 ZINC001015965818 633329163 /nfs/dbraw/zinc/32/91/63/633329163.db2.gz VXDVGJVCTPSJPK-OAHLLOKOSA-N 0 3 316.449 2.073 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(C(C)C)cn2)C(C)(C)C1 ZINC000974877326 633346624 /nfs/dbraw/zinc/34/66/24/633346624.db2.gz SEKDRWJIMMWGGL-HNNXBMFYSA-N 0 3 304.438 2.480 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001027007231 633354486 /nfs/dbraw/zinc/35/44/86/633354486.db2.gz WMOZRUORWBXPTF-RHSMWYFYSA-N 0 3 317.408 2.490 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001027040568 633372857 /nfs/dbraw/zinc/37/28/57/633372857.db2.gz GELJLVSPJZWONU-IUODEOHRSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000975040199 633394262 /nfs/dbraw/zinc/39/42/62/633394262.db2.gz SKYQMNOGGXQDQJ-WBVHZDCISA-N 0 3 313.445 2.199 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C(C)(C)C1 ZINC000975046553 633397357 /nfs/dbraw/zinc/39/73/57/633397357.db2.gz CXHQSBCVMNZKKL-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC(NCc3conc3C)CC2)cc1 ZINC000996868905 633472375 /nfs/dbraw/zinc/47/23/75/633472375.db2.gz YAUYGVSZNZOPPA-UHFFFAOYSA-N 0 3 323.396 2.359 20 30 DEEDHN CCOCCC[N@@H+]1CCC(N=Nc2nc(C)cc(=O)[n-]2)[C@H](C)C1 ZINC000735224509 633486756 /nfs/dbraw/zinc/48/67/56/633486756.db2.gz TUTYCEMUMDVQKU-GFCCVEGCSA-N 0 3 321.425 2.027 20 30 DEEDHN CCOCCC[N@H+]1CCC(N=Nc2nc(C)cc(=O)[n-]2)[C@H](C)C1 ZINC000735224509 633486760 /nfs/dbraw/zinc/48/67/60/633486760.db2.gz TUTYCEMUMDVQKU-GFCCVEGCSA-N 0 3 321.425 2.027 20 30 DEEDHN CCOCCCN1CCC(=NNc2nc(=O)cc(C)[nH]2)[C@H](C)C1 ZINC000735224509 633486764 /nfs/dbraw/zinc/48/67/64/633486764.db2.gz TUTYCEMUMDVQKU-GFCCVEGCSA-N 0 3 321.425 2.027 20 30 DEEDHN CCC(=O)N1CCC[C@H](N(C)Cc2ccc(OC)c(C#N)c2)C1 ZINC001027257167 633522577 /nfs/dbraw/zinc/52/25/77/633522577.db2.gz QGGLNMJHVBKFTF-INIZCTEOSA-N 0 3 315.417 2.400 20 30 DEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CC(=O)N(C4CC4)C3)nc21 ZINC000735791836 633534587 /nfs/dbraw/zinc/53/45/87/633534587.db2.gz CFGWLJLJGSYOBN-WCQYABFASA-N 0 3 322.368 2.059 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccnn2[C@@H](C)CC)CC1 ZINC000997122434 633606664 /nfs/dbraw/zinc/60/66/64/633606664.db2.gz XTXDNHDOUYPRIY-LSDHHAIUSA-N 0 3 316.449 2.318 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027335339 633660364 /nfs/dbraw/zinc/66/03/64/633660364.db2.gz GBRGPAIQMDNEHN-PBHICJAKSA-N 0 3 310.401 2.141 20 30 DEEDHN Cc1nc(CCN(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001027336632 633663853 /nfs/dbraw/zinc/66/38/53/633663853.db2.gz SKQAHTZCLMRZSG-WFASDCNBSA-N 0 3 320.462 2.077 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)CC1 ZINC000997204633 633675037 /nfs/dbraw/zinc/67/50/37/633675037.db2.gz CLJHOTOJIUWHPO-CQSZACIVSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)noc2C2CC2)CC1 ZINC000997229483 633680693 /nfs/dbraw/zinc/68/06/93/633680693.db2.gz WMOGVZXQNRXLRZ-GFCCVEGCSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc[nH]c2CCC)CC1 ZINC000997272514 633689946 /nfs/dbraw/zinc/68/99/46/633689946.db2.gz SYMBUHBCLZLLTK-CQSZACIVSA-N 0 3 301.434 2.431 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ocnc2CC)CC1 ZINC000997295755 633699019 /nfs/dbraw/zinc/69/90/19/633699019.db2.gz IRHOEAVPTSBBEO-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2Cc3ccccc3C2)CC1 ZINC000997316097 633705570 /nfs/dbraw/zinc/70/55/70/633705570.db2.gz OPGMNRJAILNYCV-OAHLLOKOSA-N 0 3 310.441 2.251 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc3cccnc3c2)C1 ZINC001027460320 633827946 /nfs/dbraw/zinc/82/79/46/633827946.db2.gz IMRNDBGMSKWGHA-SFHVURJKSA-N 0 3 321.424 2.333 20 30 DEEDHN CC(C)c1nnc2n1C[C@H](NCc1csc(C#N)c1)CC2 ZINC000921635475 633837533 /nfs/dbraw/zinc/83/75/33/633837533.db2.gz XODJUDNDUCBBFJ-GFCCVEGCSA-N 0 3 301.419 2.439 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000997592851 633890220 /nfs/dbraw/zinc/89/02/20/633890220.db2.gz MONIUJHAPSIIFG-ZDUSSCGKSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C(C)(C)C1 ZINC000977326786 633929744 /nfs/dbraw/zinc/92/97/44/633929744.db2.gz KZBGPJYAUYZYRS-MRXNPFEDSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001027515286 633957289 /nfs/dbraw/zinc/95/72/89/633957289.db2.gz YLZQYEQIVRPCRS-HNNXBMFYSA-N 0 3 323.396 2.110 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc3cccnn32)CC1 ZINC000997786724 633973811 /nfs/dbraw/zinc/97/38/11/633973811.db2.gz HKTIPIPUMYLZOH-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccc3[nH]cnc32)CC1 ZINC000997812071 633996978 /nfs/dbraw/zinc/99/69/78/633996978.db2.gz YAUOZXCETHWFCU-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnoc2C2CC2)CC1 ZINC000997818629 633999620 /nfs/dbraw/zinc/99/96/20/633999620.db2.gz UFDFWDQUXRYQSB-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000997823921 634000761 /nfs/dbraw/zinc/00/07/61/634000761.db2.gz INRDMXWAXAZIPJ-AWEZNQCLSA-N 0 3 313.445 2.357 20 30 DEEDHN N#CCCN[C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000425965499 636147708 /nfs/dbraw/zinc/14/77/08/636147708.db2.gz UASLMLGRCZONJE-KGLIPLIRSA-N 0 3 311.385 2.487 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)cc2OC)C(C)(C)C1 ZINC000977528857 634028045 /nfs/dbraw/zinc/02/80/45/634028045.db2.gz VYVIABYYFHJIMH-QGZVFWFLSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OCC)[C@H](C)C1 ZINC000946418324 634047523 /nfs/dbraw/zinc/04/75/23/634047523.db2.gz CAMOMOVUMOWDKE-ZIAGYGMSSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(OC)c2)C(C)(C)C1 ZINC000977570768 634052227 /nfs/dbraw/zinc/05/22/27/634052227.db2.gz HOVIUXLWMQZTGA-MRXNPFEDSA-N 0 3 302.418 2.250 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2nc(CC)oc2C)CC1 ZINC000998155441 634155735 /nfs/dbraw/zinc/15/57/35/634155735.db2.gz LUCRJCYOQQOAFU-OAHLLOKOSA-N 0 3 317.433 2.495 20 30 DEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2conc2COC)CC1 ZINC000998174266 634160401 /nfs/dbraw/zinc/16/04/01/634160401.db2.gz OEAQQOFEMRAGRO-CQSZACIVSA-N 0 3 321.421 2.324 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cncs2)CC[C@@H]1C(F)(F)F ZINC000998238219 634181026 /nfs/dbraw/zinc/18/10/26/634181026.db2.gz NYPVIRVPANBSEJ-VHSXEESVSA-N 0 3 319.352 2.312 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000998238854 634182873 /nfs/dbraw/zinc/18/28/73/634182873.db2.gz PQWLHXYZDYAIFD-WDEREUQCSA-N 0 3 320.355 2.157 20 30 DEEDHN 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C=CCN1CC=C(CNC(=O)c2ncn3ccc(C)cc23)CC1 ZINC001000883749 635329621 /nfs/dbraw/zinc/32/96/21/635329621.db2.gz UZJLAVYHHMMGJL-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2coc(-c3ccccn3)n2)CC1 ZINC001000906743 635337302 /nfs/dbraw/zinc/33/73/02/635337302.db2.gz OBFYTXBYWFLBKU-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nc(C)n3ccccc23)CC1 ZINC001000945163 635345496 /nfs/dbraw/zinc/34/54/96/635345496.db2.gz ZQTLETMKWXHFLX-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC001000916095 635348766 /nfs/dbraw/zinc/34/87/66/635348766.db2.gz XDFNVDPXCAMYGV-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccnn2CC2CCC2)CC1 ZINC000981173601 635351501 /nfs/dbraw/zinc/35/15/01/635351501.db2.gz KOOQNSLVBSUWST-UHFFFAOYSA-N 0 3 316.449 2.407 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccncc1OC(C)C ZINC001028047535 635363591 /nfs/dbraw/zinc/36/35/91/635363591.db2.gz ZPYJZOWTIGFXOF-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000921815425 635391607 /nfs/dbraw/zinc/39/16/07/635391607.db2.gz HUYDEDZJNQAKNX-ZBFHGGJFSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ncc(C)cc2OC)CC1 ZINC000981354472 635451532 /nfs/dbraw/zinc/45/15/32/635451532.db2.gz YKJLIKLUYAXPAA-UHFFFAOYSA-N 0 3 303.406 2.123 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnn(C(C)C)c2C)CC1 ZINC001001354320 635472000 /nfs/dbraw/zinc/47/20/00/635472000.db2.gz OKSBDKUEFYYLQO-UHFFFAOYSA-N 0 3 302.422 2.320 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2oc(CC3CC3)nc2C)CC1 ZINC001001405017 635487687 /nfs/dbraw/zinc/48/76/87/635487687.db2.gz OYUNNQFYFLHEEM-UHFFFAOYSA-N 0 3 315.417 2.011 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2sc(COC)nc2C)CC1 ZINC001001410726 635490372 /nfs/dbraw/zinc/49/03/72/635490372.db2.gz DDNPUGMHVVATAQ-UHFFFAOYSA-N 0 3 321.446 2.146 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001001440120 635505689 /nfs/dbraw/zinc/50/56/89/635505689.db2.gz VORBUVHFIYFQFL-UHFFFAOYSA-N 0 3 314.385 2.006 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(C)noc2C2CC2)CC1 ZINC001001649207 635534304 /nfs/dbraw/zinc/53/43/04/635534304.db2.gz IPWNGEVUYUJFRO-UHFFFAOYSA-N 0 3 315.417 2.326 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cc(C)n(CC)c2C)CC1 ZINC000981569203 635534794 /nfs/dbraw/zinc/53/47/94/635534794.db2.gz FDNHKTQMBXSDQE-UHFFFAOYSA-N 0 3 301.434 2.296 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2nccc3ccccc32)CC1 ZINC001001769752 635552141 /nfs/dbraw/zinc/55/21/41/635552141.db2.gz REDWICRMTHLWGG-UHFFFAOYSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028106332 635552183 /nfs/dbraw/zinc/55/21/83/635552183.db2.gz YDULLMHSQZIWNG-LLVKDONJSA-N 0 3 310.319 2.321 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(OC)cc2C)CC1 ZINC001001789102 635553068 /nfs/dbraw/zinc/55/30/68/635553068.db2.gz ISJRJTZTADSBCT-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ocnc2C(F)F)CC1 ZINC001001836318 635559350 /nfs/dbraw/zinc/55/93/50/635559350.db2.gz IPTMXCQUTNYKFB-UHFFFAOYSA-N 0 3 311.332 2.077 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(C)c(OCC)c2)CC1 ZINC001001904979 635579565 /nfs/dbraw/zinc/57/95/65/635579565.db2.gz MMWJHSFSEGZZBX-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC001001975115 635589959 /nfs/dbraw/zinc/58/99/59/635589959.db2.gz TUYAOZLFHVBGFF-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnn(CCC)c2C)CC1 ZINC001001981514 635591194 /nfs/dbraw/zinc/59/11/94/635591194.db2.gz UEKBTBLKVHIWPF-UHFFFAOYSA-N 0 3 316.449 2.067 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114208 635592602 /nfs/dbraw/zinc/59/26/02/635592602.db2.gz DXSDRKQNALHLTH-KRWDZBQOSA-N 0 3 307.397 2.452 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000981696855 635598947 /nfs/dbraw/zinc/59/89/47/635598947.db2.gz VYXPTZFDGPUOOD-UHFFFAOYSA-N 0 3 304.390 2.076 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnoc2C(C)C)CC1 ZINC001002007066 635600919 /nfs/dbraw/zinc/60/09/19/635600919.db2.gz QSICWIJAYJUQQV-UHFFFAOYSA-N 0 3 303.406 2.263 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001028115840 635601787 /nfs/dbraw/zinc/60/17/87/635601787.db2.gz WEGDBJPRAVTUBT-CQSZACIVSA-N 0 3 318.465 2.488 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001002011775 635602145 /nfs/dbraw/zinc/60/21/45/635602145.db2.gz IFXVDUVKNGKBJN-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(COC)c(F)c2)CC1 ZINC001002075521 635613361 /nfs/dbraw/zinc/61/33/61/635613361.db2.gz AADZJRVVXPBPDL-UHFFFAOYSA-N 0 3 318.392 2.047 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC001002108337 635620128 /nfs/dbraw/zinc/62/01/28/635620128.db2.gz TXLKZOFQGVCDEH-UHFFFAOYSA-N 0 3 320.820 2.424 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cncc3ccccc32)CC1 ZINC001002144963 635627447 /nfs/dbraw/zinc/62/74/47/635627447.db2.gz KKJVRTXJBNDXPE-UHFFFAOYSA-N 0 3 307.397 2.310 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1 ZINC000981776611 635640351 /nfs/dbraw/zinc/64/03/51/635640351.db2.gz RZGXALDXJZSYLG-CVEARBPZSA-N 0 3 304.434 2.078 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DEEDHN CC#CCN1CC[C@@H](NC(=O)c2csc(Cl)n2)[C@H](C)C1 ZINC000944034906 649476056 /nfs/dbraw/zinc/47/60/56/649476056.db2.gz XNUIFFYWKIYFBX-GHMZBOCLSA-N 0 3 311.838 2.260 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2sccc2COC)[C@@H](C)C1 ZINC000944134491 649487272 /nfs/dbraw/zinc/48/72/72/649487272.db2.gz DLUFWXDUSVKJQI-DZGCQCFKSA-N 0 3 320.458 2.358 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2OC)[C@H](C)C1 ZINC000944242707 649502081 /nfs/dbraw/zinc/50/20/81/649502081.db2.gz WEMSBIASPQYBCB-OLZOCXBDSA-N 0 3 306.431 2.220 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2OC)[C@H](C)C1 ZINC000944316577 649510600 /nfs/dbraw/zinc/51/06/00/649510600.db2.gz GFNBPKGSJLGCIV-HIFRSBDPSA-N 0 3 318.417 2.330 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C[C@@H]1C ZINC000947913232 649512091 /nfs/dbraw/zinc/51/20/91/649512091.db2.gz XYNLNTRFRQKPMW-GXTWGEPZSA-N 0 3 302.422 2.057 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C[C@@H]1C ZINC000947913232 649512092 /nfs/dbraw/zinc/51/20/92/649512092.db2.gz XYNLNTRFRQKPMW-GXTWGEPZSA-N 0 3 302.422 2.057 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sc(COC)nc2C)[C@@H](C)C1 ZINC000944492935 649527926 /nfs/dbraw/zinc/52/79/26/649527926.db2.gz RYNVGAUNJFGGJN-AAEUAGOBSA-N 0 3 323.462 2.224 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000944890047 649581295 /nfs/dbraw/zinc/58/12/95/649581295.db2.gz JWWXAKGZOLAWPT-HNAYVOBHSA-N 0 3 310.441 2.178 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2scnc2Cl)[C@H](C)C1 ZINC000944964312 649592828 /nfs/dbraw/zinc/59/28/28/649592828.db2.gz IHKLCDJZKDTAAK-GHMZBOCLSA-N 0 3 311.838 2.260 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncnc2C(C)C)[C@@H](C)C1 ZINC000944977185 649594671 /nfs/dbraw/zinc/59/46/71/649594671.db2.gz LUMOEJSGBHDCJX-HOCLYGCPSA-N 0 3 314.433 2.064 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844359557 651116913 /nfs/dbraw/zinc/11/69/13/651116913.db2.gz BMEJVMYNQHOTFX-MOPGFXCFSA-N 0 3 321.380 2.129 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844473287 651133818 /nfs/dbraw/zinc/13/38/18/651133818.db2.gz XTWJVEKVMDRYOK-BZSNNMDCSA-N 0 3 312.413 2.121 20 30 DEEDHN COC(=O)Nc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000848396890 651455957 /nfs/dbraw/zinc/45/59/57/651455957.db2.gz XEQNXZUWKQYKLC-CYBMUJFWSA-N 0 3 304.350 2.215 20 30 DEEDHN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000848403386 651456751 /nfs/dbraw/zinc/45/67/51/651456751.db2.gz RUEJNKGHHGUNDU-KBMXLJTQSA-N 0 3 303.406 2.026 20 30 DEEDHN COc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1C#N ZINC000855055467 651618473 /nfs/dbraw/zinc/61/84/73/651618473.db2.gz FPPZZAASBAAAQH-CVEARBPZSA-N 0 3 313.401 2.314 20 30 DEEDHN Cn1ncc(C2CCC2)c1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000849333334 651652187 /nfs/dbraw/zinc/65/21/87/651652187.db2.gz MTGIRZKJLDKLQT-GOSISDBHSA-N 0 3 310.401 2.382 20 30 DEEDHN C=CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H](C)COC ZINC000855375336 651685839 /nfs/dbraw/zinc/68/58/39/651685839.db2.gz KBBMAVJLHMNFON-CJNGLKHVSA-N 0 3 300.418 2.248 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000855530056 651720815 /nfs/dbraw/zinc/72/08/15/651720815.db2.gz XBZCOPFGKJORSQ-UHFFFAOYSA-N 0 3 313.445 2.459 20 30 DEEDHN C=CCC(F)(F)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000856409445 651922319 /nfs/dbraw/zinc/92/23/19/651922319.db2.gz RHJCHKABPRLONP-ZDUSSCGKSA-N 0 3 316.392 2.300 20 30 DEEDHN CC(C)(CCC#N)CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534066 651950239 /nfs/dbraw/zinc/95/02/39/651950239.db2.gz DAOBQIALIQTUFR-JKSUJKDBSA-N 0 3 314.433 2.167 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cn1cc(C2CC2)cn1 ZINC000850753171 651980318 /nfs/dbraw/zinc/98/03/18/651980318.db2.gz ZATYAMYTJXBXMV-HNNXBMFYSA-N 0 3 316.405 2.166 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](OC)C2CCC2)cc1 ZINC000850761039 651982207 /nfs/dbraw/zinc/98/22/07/651982207.db2.gz GCDXHHGLRKEOBU-GDBMZVCRSA-N 0 3 316.357 2.158 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)C1CC2(CC2)C1 ZINC000850976515 652033916 /nfs/dbraw/zinc/03/39/16/652033916.db2.gz DWMMYMZZFFHABC-LBPRGKRZSA-N 0 3 318.323 2.480 20 30 DEEDHN N#CCCOCCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052253 652245103 /nfs/dbraw/zinc/24/51/03/652245103.db2.gz VQQRAIFHDYFSLV-INIZCTEOSA-N 0 3 301.390 2.342 20 30 DEEDHN CCCCCCCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000858111020 652257011 /nfs/dbraw/zinc/25/70/11/652257011.db2.gz PXXCKZRFZOPTPS-INIZCTEOSA-N 0 3 312.502 2.140 20 30 DEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000852100378 652338564 /nfs/dbraw/zinc/33/85/64/652338564.db2.gz WWHMRFGBGIFJON-QAPCUYQASA-N 0 3 302.418 2.270 20 30 DEEDHN C#C[C@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000852277917 652376605 /nfs/dbraw/zinc/37/66/05/652376605.db2.gz SAFYOOGAQJRXBE-QGZVFWFLSA-N 0 3 314.433 2.005 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC2CC1(c1ccccc1)C2 ZINC000852358998 652391317 /nfs/dbraw/zinc/39/13/17/652391317.db2.gz AJTGGZBBZQHQPW-UHFFFAOYSA-N 0 3 311.429 2.272 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@H]1CCOC1)NCc1ccc(C#N)s1 ZINC001373734415 1157322973 /nfs/dbraw/zinc/32/29/73/1157322973.db2.gz GDZFAEFNYIKWJC-OLZOCXBDSA-N 0 3 321.446 2.031 20 30 DEEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)CCCC#N)C1 ZINC000360727859 685371246 /nfs/dbraw/zinc/37/12/46/685371246.db2.gz IDONWGGBARADKI-UHFFFAOYSA-N 0 3 315.417 2.448 20 30 DEEDHN C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000858602935 685566891 /nfs/dbraw/zinc/56/68/91/685566891.db2.gz NIQPQMCTSMUFAI-CXAGYDPISA-N 0 3 313.401 2.393 20 30 DEEDHN C=CCc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc(OC)c1OC ZINC000928452068 693784262 /nfs/dbraw/zinc/78/42/62/693784262.db2.gz MSKFRVAGHHSEGM-WFASDCNBSA-N 0 3 318.417 2.255 20 30 DEEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905772 684063736 /nfs/dbraw/zinc/06/37/36/684063736.db2.gz VUGZGIZIWASZIH-INIZCTEOSA-N 0 3 314.385 2.253 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)c1 ZINC000119973359 684089974 /nfs/dbraw/zinc/08/99/74/684089974.db2.gz CHDJQWYEVJDILY-LSDHHAIUSA-N 0 3 316.357 2.302 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCCCO1 ZINC000121984090 684111833 /nfs/dbraw/zinc/11/18/33/684111833.db2.gz JSMHERPWUGPYAR-SWLSCSKDSA-N 0 3 316.357 2.302 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCOc1cccc2ccccc21 ZINC000133528256 684220850 /nfs/dbraw/zinc/22/08/50/684220850.db2.gz HXAVEGKFBASTPY-HNNXBMFYSA-N 0 3 310.353 2.454 20 30 DEEDHN COc1ccccc1CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000138977532 684249060 /nfs/dbraw/zinc/24/90/60/684249060.db2.gz SLEOHKGJAZXIPE-AWEZNQCLSA-N 0 3 323.352 2.370 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000156482194 684289591 /nfs/dbraw/zinc/28/95/91/684289591.db2.gz FUZYOCOWESIUGI-STQMWFEESA-N 0 3 306.387 2.484 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001054109603 693847655 /nfs/dbraw/zinc/84/76/55/693847655.db2.gz QEIKIPGLMIHGNQ-FAJBIJEISA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCOC1)C2 ZINC001054114346 693849866 /nfs/dbraw/zinc/84/98/66/693849866.db2.gz ZWXOAMJOVMLJEV-PKOBYXMFSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCOC1)C2 ZINC001054114345 693849915 /nfs/dbraw/zinc/84/99/15/693849915.db2.gz ZWXOAMJOVMLJEV-MJGOQNOKSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1coc(CC)n1)C2 ZINC001054121133 693852980 /nfs/dbraw/zinc/85/29/80/693852980.db2.gz XKRFRIKBFVXNJY-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1scnc1CC)C2 ZINC001054143382 693861166 /nfs/dbraw/zinc/86/11/66/693861166.db2.gz SDGUWGYZRGQDLG-KRWDZBQOSA-N 0 3 317.458 2.267 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cnc3[nH]ccc3c1)C2 ZINC001054149876 693862852 /nfs/dbraw/zinc/86/28/52/693862852.db2.gz QBUFLODDSBNXCE-IBGZPJMESA-N 0 3 322.412 2.076 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1cccc(C)c1)C2 ZINC001054186787 693875422 /nfs/dbraw/zinc/87/54/22/693875422.db2.gz FHFKULWPCSQFQX-HXUWFJFHSA-N 0 3 310.441 2.485 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1occc1C)C2 ZINC001054193408 693876476 /nfs/dbraw/zinc/87/64/76/693876476.db2.gz XFVKRDMEHNXNDV-SFHVURJKSA-N 0 3 300.402 2.078 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ocnc1CC)C2 ZINC001054193726 693876588 /nfs/dbraw/zinc/87/65/88/693876588.db2.gz DLBULYOAPWYFNU-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCC1CCOCC1)C2 ZINC001054209503 693883274 /nfs/dbraw/zinc/88/32/74/693883274.db2.gz RMNZFQFOGSLNSR-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCCOC1)C2 ZINC001054241908 693897195 /nfs/dbraw/zinc/89/71/95/693897195.db2.gz AEKGHUIJRNSZIT-MJGOQNOKSA-N 0 3 318.461 2.141 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054311500 693924118 /nfs/dbraw/zinc/92/41/18/693924118.db2.gz OVYCQOPDTNTLDU-ZBEGNZNMSA-N 0 3 301.365 2.044 20 30 DEEDHN N#Cc1ccnc(N2CCN(CC3CCC(C#N)CC3)CC2)c1 ZINC000929267926 693927733 /nfs/dbraw/zinc/92/77/33/693927733.db2.gz BEQYRIYWHYVESB-UHFFFAOYSA-N 0 3 309.417 2.405 20 30 DEEDHN C#CCCOC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000859129680 685662449 /nfs/dbraw/zinc/66/24/49/685662449.db2.gz 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/nfs/dbraw/zinc/19/11/50/686191150.db2.gz LXZRZAUHZRTKFL-UHFFFAOYSA-N 0 3 323.440 2.441 20 30 DEEDHN CCN(C(=O)c1ccc(C=NOC)cc1)C1CCN(C)CC1 ZINC000861893924 686201591 /nfs/dbraw/zinc/20/15/91/686201591.db2.gz USVKPHITCXMQMH-UHFFFAOYSA-N 0 3 303.406 2.223 20 30 DEEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000862395923 686291238 /nfs/dbraw/zinc/29/12/38/686291238.db2.gz YCMFOVCMHWJBQJ-JKSUJKDBSA-N 0 3 318.465 2.174 20 30 DEEDHN C=C(C)COc1cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)ccc1OC ZINC000862545159 686318730 /nfs/dbraw/zinc/31/87/30/686318730.db2.gz IGTKTQMITRAJJR-HUUCEWRRSA-N 0 3 317.385 2.255 20 30 DEEDHN C[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054664735 694019588 /nfs/dbraw/zinc/01/95/88/694019588.db2.gz LGYNWRXJUPKCPX-SMDDNHRTSA-N 0 3 303.431 2.356 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H](NCc2ccnn2C)[C@@H](C)C1 ZINC001054679431 694022765 /nfs/dbraw/zinc/02/27/65/694022765.db2.gz JTBGGOHJJJUYGB-FZMZJTMJSA-N 0 3 324.856 2.135 20 30 DEEDHN CN1CCn2nc(NCc3ccc(C4(C#N)CC4)cc3)cc2C1 ZINC000865846238 687353357 /nfs/dbraw/zinc/35/33/57/687353357.db2.gz NGSLZCUBWQPTIJ-UHFFFAOYSA-N 0 3 307.401 2.496 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001015942330 687473538 /nfs/dbraw/zinc/47/35/38/687473538.db2.gz MXDLSQTZTWQFDR-AWEZNQCLSA-N 0 3 313.426 2.432 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2cccc(OC)c2)C1 ZINC001015946770 687475758 /nfs/dbraw/zinc/47/57/58/687475758.db2.gz DXAANANRZRXDLR-INIZCTEOSA-N 0 3 314.429 2.187 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001016009058 687498363 /nfs/dbraw/zinc/49/83/63/687498363.db2.gz GIOIVZVEGMLVJG-MRXNPFEDSA-N 0 3 309.413 2.233 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC001016086183 687520201 /nfs/dbraw/zinc/52/02/01/687520201.db2.gz RTKNXUQCWASEOP-JTQLQIEISA-N 0 3 313.195 2.422 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001016088624 687521616 /nfs/dbraw/zinc/52/16/16/687521616.db2.gz RUIBFSCECMVSAP-QGZVFWFLSA-N 0 3 313.445 2.360 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016304092 687585653 /nfs/dbraw/zinc/58/56/53/687585653.db2.gz CRTOGWRYQBSILM-OCCSQVGLSA-N 0 3 306.356 2.282 20 30 DEEDHN C#CCOc1ccc([C@@H](C)NC2CN(c3ccncn3)C2)cc1 ZINC000866495124 687590993 /nfs/dbraw/zinc/59/09/93/687590993.db2.gz WRJAFWWYGARQKI-CQSZACIVSA-N 0 3 308.385 2.028 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)Cc2cccs2)CC1 ZINC001016475319 687633518 /nfs/dbraw/zinc/63/35/18/687633518.db2.gz SJYYPGRQTCBJFF-OAHLLOKOSA-N 0 3 302.443 2.285 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(F)cccc2OC)CC1 ZINC001016636889 687670586 /nfs/dbraw/zinc/67/05/86/687670586.db2.gz BJCBJRLTMBYVSO-OAHLLOKOSA-N 0 3 316.376 2.052 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001016677378 687680569 /nfs/dbraw/zinc/68/05/69/687680569.db2.gz YPXLRMICNUPKOT-INIZCTEOSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(C)c(F)cc2F)CC1 ZINC001016682948 687681588 /nfs/dbraw/zinc/68/15/88/687681588.db2.gz SBHHTPOJLJMXFW-MRXNPFEDSA-N 0 3 318.367 2.491 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(COC)o2)CC1 ZINC001016722344 687690145 /nfs/dbraw/zinc/69/01/45/687690145.db2.gz UAKSVVGTJUVRMD-MRXNPFEDSA-N 0 3 316.401 2.034 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2nc(Cl)sc2C)CC1 ZINC001016726077 687691292 /nfs/dbraw/zinc/69/12/92/687691292.db2.gz LTNBPSSOMSMQGR-NSHDSACASA-N 0 3 323.849 2.322 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CC2CC(OCC)C2)CC1 ZINC001016787654 687702780 /nfs/dbraw/zinc/70/27/80/687702780.db2.gz YNPNDWUOIDDZSL-OFLPRAFFSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2CCC(F)(F)CC2)CC1 ZINC001016847085 687716965 /nfs/dbraw/zinc/71/69/65/687716965.db2.gz JIKOPHGWXSPVJE-CQSZACIVSA-N 0 3 310.388 2.416 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3c(c2)COC3)CC1 ZINC001016877118 687724750 /nfs/dbraw/zinc/72/47/50/687724750.db2.gz ZWZFFRWLOGCAAP-SFHVURJKSA-N 0 3 324.424 2.324 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3ccccc3n2)CC1 ZINC001016944992 687739716 /nfs/dbraw/zinc/73/97/16/687739716.db2.gz VTLIDBHEYBYIDZ-GOSISDBHSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001016989361 687750180 /nfs/dbraw/zinc/75/01/80/687750180.db2.gz SVJNRNMKFKJULM-GQGLESIBSA-N 0 3 300.446 2.417 20 30 DEEDHN CC(C)N1CC[C@H](NC[C@H](O)CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000930353170 694143945 /nfs/dbraw/zinc/14/39/45/694143945.db2.gz FDJLNSAIBDMPCN-COXVUDFISA-N 0 3 323.387 2.353 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867994715 687866502 /nfs/dbraw/zinc/86/65/02/687866502.db2.gz SJQOXVFSEPCTNW-QJPTWQEYSA-N 0 3 303.328 2.268 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(=O)oc1C ZINC001017719990 687946223 /nfs/dbraw/zinc/94/62/23/687946223.db2.gz UJUVMDJBYGYICH-GASCZTMLSA-N 0 3 316.401 2.122 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](OC)CC[C@H]2C)CC1 ZINC000868221657 687953066 /nfs/dbraw/zinc/95/30/66/687953066.db2.gz KUMXUZYRKIBJEF-ZBFHGGJFSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cncnc1 ZINC001017843259 687969848 /nfs/dbraw/zinc/96/98/48/687969848.db2.gz BMSKTBKOLBSWEF-OIISXLGYSA-N 0 3 314.433 2.222 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868478078 688029484 /nfs/dbraw/zinc/02/94/84/688029484.db2.gz CAHREIRFZIKESF-INIZCTEOSA-N 0 3 322.497 2.153 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncccn1 ZINC001018080895 688049427 /nfs/dbraw/zinc/04/94/27/688049427.db2.gz FSWHJIQVQLPYNP-IYBDPMFKSA-N 0 3 314.433 2.051 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ncccc12 ZINC001018283487 688101557 /nfs/dbraw/zinc/10/15/57/688101557.db2.gz NUOGWKSMRQFYBG-OKILXGFUSA-N 0 3 310.401 2.428 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)C3CC=CC3)C2)ccc1F ZINC001018655003 688196543 /nfs/dbraw/zinc/19/65/43/688196543.db2.gz XKWOJPDZIVCVKD-INIZCTEOSA-N 0 3 313.376 2.354 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(-c2ncco2)c1 ZINC000930543390 694186230 /nfs/dbraw/zinc/18/62/30/694186230.db2.gz UBMSNQLHTBURLB-UHFFFAOYSA-N 0 3 312.373 2.418 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001019332822 688331083 /nfs/dbraw/zinc/33/10/83/688331083.db2.gz ZRIQSFLPUCSCTQ-DOTOQJQBSA-N 0 3 302.422 2.078 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cncc(F)c3)C2)C1 ZINC001019353598 688338330 /nfs/dbraw/zinc/33/83/30/688338330.db2.gz SESOQBGBBYXDPG-HNNXBMFYSA-N 0 3 303.381 2.268 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3(CF)CC3)C2)cc1F ZINC001019359219 688339114 /nfs/dbraw/zinc/33/91/14/688339114.db2.gz XBUMVLCJAONSCT-AWEZNQCLSA-N 0 3 319.355 2.138 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2OC)C1 ZINC001019663402 688386667 /nfs/dbraw/zinc/38/66/67/688386667.db2.gz FBQZCFBLVZEEHV-CABCVRRESA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001019800466 688411899 /nfs/dbraw/zinc/41/18/99/688411899.db2.gz LHWMHBKYVVCRDC-NFSPANSCSA-N 0 3 300.446 2.273 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC001019833305 688415090 /nfs/dbraw/zinc/41/50/90/688415090.db2.gz IXZPBGVKEJGCND-DLBZAZTESA-N 0 3 302.393 2.389 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)[nH]1 ZINC001020084753 688460625 /nfs/dbraw/zinc/46/06/25/688460625.db2.gz XWBDWXLGGDGYAL-HDJSIYSDSA-N 0 3 312.348 2.076 20 30 DEEDHN Cc1ncc2n1CC[C@@H](C(=O)Nc1nc3ccc(C#N)cc3[nH]1)C2 ZINC000871072690 688724270 /nfs/dbraw/zinc/72/42/70/688724270.db2.gz OGQXKXXKHUVFLS-GFCCVEGCSA-N 0 3 320.356 2.141 20 30 DEEDHN CCC(C#N)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000871146885 688734963 /nfs/dbraw/zinc/73/49/63/688734963.db2.gz DZWHLUYKBSOXFU-MLGOLLRUSA-N 0 3 322.792 2.480 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cc(CC#N)ccn1 ZINC000871730395 688853748 /nfs/dbraw/zinc/85/37/48/688853748.db2.gz BJFZOWGBDUASLG-AWEZNQCLSA-N 0 3 315.421 2.390 20 30 DEEDHN C=CCNC(=O)CN[C@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872056882 688920325 /nfs/dbraw/zinc/92/03/25/688920325.db2.gz AOPNFHCXNUHTIZ-INIZCTEOSA-N 0 3 308.397 2.054 20 30 DEEDHN C[NH+](C)C1(C)CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000872343942 688985724 /nfs/dbraw/zinc/98/57/24/688985724.db2.gz AEIGNXLATIYFIE-UHFFFAOYSA-N 0 3 323.462 2.356 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000930827668 694250521 /nfs/dbraw/zinc/25/05/21/694250521.db2.gz GKXPSUJIXHQXJU-CYBMUJFWSA-N 0 3 319.371 2.362 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)C1 ZINC001031924256 689021793 /nfs/dbraw/zinc/02/17/93/689021793.db2.gz HYAZECUGMVAEDZ-QWHCGFSZSA-N 0 3 302.340 2.036 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001031932604 689023705 /nfs/dbraw/zinc/02/37/05/689023705.db2.gz UCYYTAQEDICTOQ-UHFFFAOYSA-N 0 3 306.793 2.034 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031988714 689035338 /nfs/dbraw/zinc/03/53/38/689035338.db2.gz LQDQJCKCQDBBMD-OLMNPRSZSA-N 0 3 314.429 2.387 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001032039573 689047591 /nfs/dbraw/zinc/04/75/91/689047591.db2.gz UMNZWJYNTVPPRP-JKSUJKDBSA-N 0 3 300.377 2.001 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000872977814 689132685 /nfs/dbraw/zinc/13/26/85/689132685.db2.gz CEOPOBSXUQXFNO-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(CC)noc1CC ZINC001032451164 689155539 /nfs/dbraw/zinc/15/55/39/689155539.db2.gz QKUYUTASQIKFOJ-KBPBESRZSA-N 0 3 317.433 2.203 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001032517313 689174243 /nfs/dbraw/zinc/17/42/43/689174243.db2.gz XVIZSBXHJZAGFU-XLAORIBOSA-N 0 3 318.461 2.300 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000930905782 694267940 /nfs/dbraw/zinc/26/79/40/694267940.db2.gz ZGRUMAMMIAFNBX-NSHDSACASA-N 0 3 307.360 2.218 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CC2)c1 ZINC001032720454 689236365 /nfs/dbraw/zinc/23/63/65/689236365.db2.gz VQXSNNFYBFJVDO-IRXDYDNUSA-N 0 3 314.433 2.158 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc2ccccc2n1 ZINC001032738565 689242358 /nfs/dbraw/zinc/24/23/58/689242358.db2.gz HCPGQZSQZWMOOL-IRXDYDNUSA-N 0 3 324.428 2.288 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001032818674 689271283 /nfs/dbraw/zinc/27/12/83/689271283.db2.gz LWAOJTGULDCFOA-KCXAZCMYSA-N 0 3 316.449 2.002 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCOCC1 ZINC001032821685 689272657 /nfs/dbraw/zinc/27/26/57/689272657.db2.gz UCLNNNOAMITWMN-XIRDDKMYSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3c2OCCO3)C1 ZINC001033125378 689397791 /nfs/dbraw/zinc/39/77/91/689397791.db2.gz CFUGDHCTXFVUMN-AWEZNQCLSA-N 0 3 316.401 2.180 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033161558 689409712 /nfs/dbraw/zinc/40/97/12/689409712.db2.gz TWGHOEBLEHGXBG-AWEZNQCLSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001033190869 689418034 /nfs/dbraw/zinc/41/80/34/689418034.db2.gz JNTFINHRMPNPHN-HNNXBMFYSA-N 0 3 319.836 2.142 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001033211950 689427473 /nfs/dbraw/zinc/42/74/73/689427473.db2.gz MUGTVHRHYOMZOX-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001033235993 689433809 /nfs/dbraw/zinc/43/38/09/689433809.db2.gz AUAOFINRNMLAAB-ZDUSSCGKSA-N 0 3 324.856 2.033 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2OC)C1 ZINC001033237305 689434374 /nfs/dbraw/zinc/43/43/74/689434374.db2.gz HWEUDEXZKBATRR-QGZVFWFLSA-N 0 3 314.429 2.102 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001033259464 689441986 /nfs/dbraw/zinc/44/19/86/689441986.db2.gz MKUFESKLKVJUTE-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(OC)cc2C)C1 ZINC001033386882 689484320 /nfs/dbraw/zinc/48/43/20/689484320.db2.gz XDNXCBVDVWWLJD-HNNXBMFYSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ncccc2OCCC)C1 ZINC001033392205 689485554 /nfs/dbraw/zinc/48/55/54/689485554.db2.gz AHZMOXZUEHWMOT-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(F)cc(OC)cc2F)C1 ZINC001033432429 689497893 /nfs/dbraw/zinc/49/78/93/689497893.db2.gz GRTUETPXSVPLFV-LBPRGKRZSA-N 0 3 322.355 2.143 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033460296 689508103 /nfs/dbraw/zinc/50/81/03/689508103.db2.gz NEAWBQDDZOVQSZ-RBUKOAKNSA-N 0 3 310.441 2.348 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2OC)C1 ZINC001033614810 689560752 /nfs/dbraw/zinc/56/07/52/689560752.db2.gz VNQZZHIYVOGLEK-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001033620991 689561876 /nfs/dbraw/zinc/56/18/76/689561876.db2.gz JMOUWALGKVSFFV-KRWDZBQOSA-N 0 3 301.434 2.475 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001033627185 689564348 /nfs/dbraw/zinc/56/43/48/689564348.db2.gz JHUCSVAXNNVLPD-OAHLLOKOSA-N 0 3 315.417 2.129 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC001033686503 689584875 /nfs/dbraw/zinc/58/48/75/689584875.db2.gz PPDUVZZDDRNJSW-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001033692291 689585697 /nfs/dbraw/zinc/58/56/97/689585697.db2.gz UTWACJUZIXGPND-RDJZCZTQSA-N 0 3 314.429 2.355 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccnc2OC(C)C)C1 ZINC001033727094 689597863 /nfs/dbraw/zinc/59/78/63/689597863.db2.gz GXCQGAWYTTUSSQ-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3cccnc3n2)C1 ZINC001033834741 689630974 /nfs/dbraw/zinc/63/09/74/689630974.db2.gz IYVODYBXZYCXOL-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccnn2CC(C)C)C1 ZINC001033847136 689636928 /nfs/dbraw/zinc/63/69/28/689636928.db2.gz UCBKJNMTNKOEMT-MRXNPFEDSA-N 0 3 316.449 2.099 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001033853278 689639847 /nfs/dbraw/zinc/63/98/47/689639847.db2.gz FNCHKJRXEUMLTA-HNNXBMFYSA-N 0 3 315.417 2.387 20 30 DEEDHN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN(C[C@@H](C)OC)C1 ZINC001033856127 689640677 /nfs/dbraw/zinc/64/06/77/689640677.db2.gz RMNYGWMAZQZNGM-CVEARBPZSA-N 0 3 319.449 2.245 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001033877677 689648402 /nfs/dbraw/zinc/64/84/02/689648402.db2.gz CORPUFTZMUCEPM-JKSUJKDBSA-N 0 3 316.449 2.259 20 30 DEEDHN C#CCN1CC[C@H](N(CC)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001033888590 689651631 /nfs/dbraw/zinc/65/16/31/689651631.db2.gz CTWCAYLQKRZLRY-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001033888176 689652159 /nfs/dbraw/zinc/65/21/59/689652159.db2.gz QIMMSTHWLASWGV-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnc3n2CCCC3)C1 ZINC001033935506 689667442 /nfs/dbraw/zinc/66/74/42/689667442.db2.gz GGFONVWTCXRIEQ-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccnc(OCC)c2)C1 ZINC001033948647 689671160 /nfs/dbraw/zinc/67/11/60/689671160.db2.gz AXHCHOSFECEBHY-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034053183 689706784 /nfs/dbraw/zinc/70/67/84/689706784.db2.gz RZJAEKFOBJPQRE-CQSZACIVSA-N 0 3 305.447 2.320 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001034228550 689772126 /nfs/dbraw/zinc/77/21/26/689772126.db2.gz WZZKXUIVXIHPLA-GFCCVEGCSA-N 0 3 312.364 2.439 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228622 689772263 /nfs/dbraw/zinc/77/22/63/689772263.db2.gz GRHURPBFYJYKJY-CVEARBPZSA-N 0 3 316.449 2.462 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnn2CCC)C1 ZINC001034229491 689772632 /nfs/dbraw/zinc/77/26/32/689772632.db2.gz IZBIKQDISQJUQZ-OAHLLOKOSA-N 0 3 304.438 2.454 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001034254153 689783832 /nfs/dbraw/zinc/78/38/32/689783832.db2.gz PYTUDWQUHXHXPJ-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2nccc3cccnc32)C1 ZINC001034255313 689784407 /nfs/dbraw/zinc/78/44/07/689784407.db2.gz XSPSGCLVLITCRK-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(C)nc2CC)C1 ZINC001034259104 689785075 /nfs/dbraw/zinc/78/50/75/689785075.db2.gz OKQVHGGLCPZUTH-CQSZACIVSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001034277801 689791256 /nfs/dbraw/zinc/79/12/56/689791256.db2.gz FPDJCUKAYMDEGB-KRWDZBQOSA-N 0 3 316.449 2.307 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876279648 689793414 /nfs/dbraw/zinc/79/34/14/689793414.db2.gz SBFJHJMMFMXIJU-KRWDZBQOSA-N 0 3 314.433 2.007 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001034285593 689795245 /nfs/dbraw/zinc/79/52/45/689795245.db2.gz SUXFLJMXHXSYFJ-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000876321939 689801300 /nfs/dbraw/zinc/80/13/00/689801300.db2.gz AYMTWHAKUNHASJ-HNNXBMFYSA-N 0 3 311.470 2.125 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001034317224 689807857 /nfs/dbraw/zinc/80/78/57/689807857.db2.gz ZZOINLLXZJXXAS-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001034327438 689810264 /nfs/dbraw/zinc/81/02/64/689810264.db2.gz ZQTCMCWRCNHXJF-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001034329182 689811507 /nfs/dbraw/zinc/81/15/07/689811507.db2.gz FCTFGXXHFSVOQX-HNNXBMFYSA-N 0 3 304.438 2.197 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001034366920 689824024 /nfs/dbraw/zinc/82/40/24/689824024.db2.gz LAQQUJIQFJKUJU-AWEZNQCLSA-N 0 3 305.397 2.310 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001034372523 689827153 /nfs/dbraw/zinc/82/71/53/689827153.db2.gz MOWRNQISBBTBLH-INIZCTEOSA-N 0 3 315.417 2.006 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001034403761 689837255 /nfs/dbraw/zinc/83/72/55/689837255.db2.gz BJTOWKWBRCUGLN-FUHWJXTLSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000876545570 689852547 /nfs/dbraw/zinc/85/25/47/689852547.db2.gz JPOCIDSHQSKKIB-SNVBAGLBSA-N 0 3 314.769 2.121 20 30 DEEDHN Cc1cccc(O)c1CN1CCN(c2ncccc2C#N)CC1 ZINC000876557290 689855865 /nfs/dbraw/zinc/85/58/65/689855865.db2.gz WIFNFUVJLCHTSZ-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000876564582 689858645 /nfs/dbraw/zinc/85/86/45/689858645.db2.gz MCVORFVZYDLUCC-LBPRGKRZSA-N 0 3 318.751 2.417 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(CCC)on2)C1 ZINC001034468817 689861487 /nfs/dbraw/zinc/86/14/87/689861487.db2.gz RCFSCTYWXFXLKF-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000876585387 689866931 /nfs/dbraw/zinc/86/69/31/689866931.db2.gz JZPVXTKRRRXQFP-CQSZACIVSA-N 0 3 321.808 2.217 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000876591560 689868460 /nfs/dbraw/zinc/86/84/60/689868460.db2.gz KRTCPUIJDIXSKH-AWEZNQCLSA-N 0 3 321.808 2.217 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001034485988 689869010 /nfs/dbraw/zinc/86/90/10/689869010.db2.gz IGZNWJRQCPKTDQ-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000876600914 689872385 /nfs/dbraw/zinc/87/23/85/689872385.db2.gz LNEYMNGZOZGJIT-NXEZZACHSA-N 0 3 314.735 2.026 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000876611016 689876194 /nfs/dbraw/zinc/87/61/94/689876194.db2.gz OKVZECXQSBYUEX-CABZTGNLSA-N 0 3 318.751 2.318 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C1 ZINC001034512956 689880749 /nfs/dbraw/zinc/88/07/49/689880749.db2.gz ZXQGYSGESGSBPM-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(NC(=O)NCC)c1 ZINC000876625930 689880896 /nfs/dbraw/zinc/88/08/96/689880896.db2.gz JHUUQYXRXPOHED-LBPRGKRZSA-N 0 3 310.785 2.236 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000876645400 689886622 /nfs/dbraw/zinc/88/66/22/689886622.db2.gz NJSLPKJLZHVIHE-KBPBESRZSA-N 0 3 312.772 2.196 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001034549468 689895220 /nfs/dbraw/zinc/89/52/20/689895220.db2.gz KQDIILHBBKTGJU-HOCLYGCPSA-N 0 3 300.402 2.319 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000876677162 689898583 /nfs/dbraw/zinc/89/85/83/689898583.db2.gz IRJDWQXSWUNXCJ-WDEREUQCSA-N 0 3 321.179 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000876682850 689901171 /nfs/dbraw/zinc/90/11/71/689901171.db2.gz PBAQFDCRYFTVBQ-MWLCHTKSSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000876703943 689909245 /nfs/dbraw/zinc/90/92/45/689909245.db2.gz PFGZOXCVJFNEGP-CFVMTHIKSA-N 0 3 310.825 2.127 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000876715637 689913301 /nfs/dbraw/zinc/91/33/01/689913301.db2.gz OCGOYSOVPXLLCF-LLVKDONJSA-N 0 3 306.797 2.082 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000876719927 689914630 /nfs/dbraw/zinc/91/46/30/689914630.db2.gz AZFREPCNVLOXMS-OAHLLOKOSA-N 0 3 323.824 2.056 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000876745757 689925353 /nfs/dbraw/zinc/92/53/53/689925353.db2.gz LBVFKTLDOUVJCB-DGCLKSJQSA-N 0 3 321.812 2.013 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCc1nc(C)cs1 ZINC000876751461 689927076 /nfs/dbraw/zinc/92/70/76/689927076.db2.gz QMNZFZKHERXUCJ-LLVKDONJSA-N 0 3 301.843 2.360 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000876873860 689960986 /nfs/dbraw/zinc/96/09/86/689960986.db2.gz SNIOHCSZGNSXMA-MFKMUULPSA-N 0 3 324.808 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccccc1OC(F)F ZINC000876874737 689961061 /nfs/dbraw/zinc/96/10/61/689961061.db2.gz JWTOSXOJKXAPMC-NSHDSACASA-N 0 3 318.751 2.417 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000876893886 689966412 /nfs/dbraw/zinc/96/64/12/689966412.db2.gz IOAJAQQHNRZAQC-CQSZACIVSA-N 0 3 318.808 2.267 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000876895553 689966923 /nfs/dbraw/zinc/96/69/23/689966923.db2.gz DTOFNKUVWKYUKI-CHWSQXEVSA-N 0 3 318.751 2.238 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000876933913 689976113 /nfs/dbraw/zinc/97/61/13/689976113.db2.gz ANQIKBLGYWOSBV-VIFPVBQESA-N 0 3 318.707 2.094 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001034935404 689995520 /nfs/dbraw/zinc/99/55/20/689995520.db2.gz PZUFNNAIAIHNKI-QGZVFWFLSA-N 0 3 318.367 2.459 20 30 DEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000877223505 690049772 /nfs/dbraw/zinc/04/97/72/690049772.db2.gz IYUNACFWBIHMGT-LJQANCHMSA-N 0 3 319.408 2.446 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCSCCC(F)(F)F ZINC000877241558 690054530 /nfs/dbraw/zinc/05/45/30/690054530.db2.gz SUVZPGQQDCPDJN-MRVPVSSYSA-N 0 3 304.765 2.258 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1cccc(C)c1 ZINC000877291882 690068481 /nfs/dbraw/zinc/06/84/81/690068481.db2.gz QEOGGBLBWAUIRY-KBPBESRZSA-N 0 3 324.808 2.185 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000931218464 694342317 /nfs/dbraw/zinc/34/23/17/694342317.db2.gz CWJMUJWGNBGOFH-MRXNPFEDSA-N 0 3 303.381 2.211 20 30 DEEDHN C#C[C@@H](NCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000877540643 690146721 /nfs/dbraw/zinc/14/67/21/690146721.db2.gz FOZCCEHFIIKWKF-OAHLLOKOSA-N 0 3 311.834 2.429 20 30 DEEDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(C#N)n2)C1 ZINC000877546091 690147187 /nfs/dbraw/zinc/14/71/87/690147187.db2.gz OCHQPYRRRCLTAX-IBGZPJMESA-N 0 3 321.380 2.270 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CCCCO1)CC2 ZINC001035682323 690150561 /nfs/dbraw/zinc/15/05/61/690150561.db2.gz KBCHFDYCVQPHCU-MRXNPFEDSA-N 0 3 306.450 2.446 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@H]1C)CC2 ZINC001035690811 690153074 /nfs/dbraw/zinc/15/30/74/690153074.db2.gz FMCHWAXBJHPZRV-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN CN(Cc1cnc2c(cnn2C)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000877610758 690166680 /nfs/dbraw/zinc/16/66/80/690166680.db2.gz YEGNFXFQNYQQJK-QGZVFWFLSA-N 0 3 321.384 2.005 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(Cl)n(C)n1)CC2 ZINC001035749665 690168004 /nfs/dbraw/zinc/16/80/04/690168004.db2.gz QRNJYCGBFXUSJD-UHFFFAOYSA-N 0 3 322.840 2.188 20 30 DEEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)[C@]1(O)CCCOC1 ZINC000877637245 690175369 /nfs/dbraw/zinc/17/53/69/690175369.db2.gz GIBBUUDINOYKIO-INIZCTEOSA-N 0 3 323.824 2.264 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cccnc1C)CC2 ZINC001035792487 690177538 /nfs/dbraw/zinc/17/75/38/690177538.db2.gz AMEDXXTZLCEYKC-UHFFFAOYSA-N 0 3 313.445 2.433 20 30 DEEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)CC1(C)OCCO1 ZINC000877671032 690184944 /nfs/dbraw/zinc/18/49/44/690184944.db2.gz YSOOIOXADLLFRV-NSHDSACASA-N 0 3 309.797 2.485 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3nccn3C)[C@@H](C)C2)C1 ZINC001036170776 690280864 /nfs/dbraw/zinc/28/08/64/690280864.db2.gz UGPWQLBBSRUTAC-LSDHHAIUSA-N 0 3 316.449 2.103 20 30 DEEDHN 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/nfs/dbraw/zinc/61/23/60/694612360.db2.gz DPGUWZHFZGYTEE-KDOFPFPSSA-N 0 3 321.465 2.370 20 30 DEEDHN C#CCCN(C)CCN(C(=O)C[C@@H](C)[C@H]1CCCO1)C(C)C ZINC001332741353 1149887363 /nfs/dbraw/zinc/88/73/63/1149887363.db2.gz XZLNAOZBMKDBLS-IAGOWNOFSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC001333365040 1150039950 /nfs/dbraw/zinc/03/99/50/1150039950.db2.gz SVVJLXSMGOVZSY-UHFFFAOYSA-N 0 3 310.401 2.040 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001334276581 1150255613 /nfs/dbraw/zinc/25/56/13/1150255613.db2.gz NXHOOQAREFUJES-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001335522409 1150441817 /nfs/dbraw/zinc/44/18/17/1150441817.db2.gz LGIPVJSYFXQRNC-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1 ZINC001344558166 1150829552 /nfs/dbraw/zinc/82/95/52/1150829552.db2.gz OBNULJZSYFRUDC-YOEHRIQHSA-N 0 3 317.389 2.264 20 30 DEEDHN CCOc1ccc(CCNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC001345738764 1150911897 /nfs/dbraw/zinc/91/18/97/1150911897.db2.gz JZZJKOCCZIJWRD-INIZCTEOSA-N 0 3 303.406 2.155 20 30 DEEDHN CCN(C(=O)C#CCOC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001347374696 1151059918 /nfs/dbraw/zinc/05/99/18/1151059918.db2.gz UANCTUMFIYEOKK-WMZOPIPTSA-N 0 3 314.429 2.320 20 30 DEEDHN Cc1cccnc1CN1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 ZINC001402593426 1162404288 /nfs/dbraw/zinc/40/42/88/1162404288.db2.gz DMBPJACELUBNDO-HUUCEWRRSA-N 0 3 300.406 2.020 20 30 DEEDHN C=C(C)C[C@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)OCC ZINC001349848823 1151297919 /nfs/dbraw/zinc/29/79/19/1151297919.db2.gz CQIWHAOFEXCFMW-GJZGRUSLSA-N 0 3 304.390 2.091 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001350869604 1151416970 /nfs/dbraw/zinc/41/69/70/1151416970.db2.gz HJRNRVCIXPZSPH-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)OCCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001480429522 1151796202 /nfs/dbraw/zinc/79/62/02/1151796202.db2.gz UOYCZYVHMUEFPE-CYBMUJFWSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@@H]1NCc1ccc(C#N)s1 ZINC001402781338 1162470443 /nfs/dbraw/zinc/47/04/43/1162470443.db2.gz RTYHOBHATJMJTG-FZMZJTMJSA-N 0 3 309.410 2.306 20 30 DEEDHN C[C@@H](CNC(=O)c1ccco1)NCc1ccc(F)c(C#N)c1 ZINC001402836453 1162489975 /nfs/dbraw/zinc/48/99/75/1162489975.db2.gz QPOVIWFXWXXHBO-NSHDSACASA-N 0 3 301.321 2.198 20 30 DEEDHN Cc1cc(CNC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C)sn1 ZINC001380058036 1152741339 /nfs/dbraw/zinc/74/13/39/1152741339.db2.gz DBNOEAVGXFKQBT-MFKMUULPSA-N 0 3 308.451 2.232 20 30 DEEDHN CC[C@H](F)C(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001380303366 1152785053 /nfs/dbraw/zinc/78/50/53/1152785053.db2.gz CEJKFZFSEJDKFU-INIZCTEOSA-N 0 3 315.392 2.341 20 30 DEEDHN C[C@@H](CNC(=O)C1CC(F)(F)C1)NCc1ccc(C#N)s1 ZINC001402880133 1162513871 /nfs/dbraw/zinc/51/38/71/1162513871.db2.gz ZNQOLXLKXGXVSD-VIFPVBQESA-N 0 3 313.373 2.259 20 30 DEEDHN Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)n1C ZINC001381497825 1153093961 /nfs/dbraw/zinc/09/39/61/1153093961.db2.gz BVIDTDNBUFUCGV-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)CCOc1cccc(Cl)c1 ZINC001381507607 1153102116 /nfs/dbraw/zinc/10/21/16/1153102116.db2.gz HDUOVCFZMIKIKX-CHWSQXEVSA-N 0 3 323.824 2.315 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001402934960 1162552565 /nfs/dbraw/zinc/55/25/65/1162552565.db2.gz WFPMWZNFHXYHJH-QGLTVNCISA-N 0 3 324.856 2.065 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)CCc2cnc[nH]2)CC1 ZINC001382564844 1153471811 /nfs/dbraw/zinc/47/18/11/1153471811.db2.gz JTONAWKAGVMKKU-ZDUSSCGKSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001390015538 1155500269 /nfs/dbraw/zinc/50/02/69/1155500269.db2.gz NXRPAJOMYMCIAW-MCIONIFRSA-N 0 3 308.809 2.443 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001403098263 1162711068 /nfs/dbraw/zinc/71/10/68/1162711068.db2.gz GYWVUGXNJSIJQG-ZDUSSCGKSA-N 0 3 310.401 2.445 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)CC2CCC2)cc1C#N ZINC001390334602 1155657833 /nfs/dbraw/zinc/65/78/33/1155657833.db2.gz XVCMMFQBXLWQJD-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN Cc1nscc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001390341798 1155661679 /nfs/dbraw/zinc/66/16/79/1155661679.db2.gz FAQIQDGFTWYKDC-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001371166442 1155754300 /nfs/dbraw/zinc/75/43/00/1155754300.db2.gz QBEYXIAOKCQRAJ-VXGBXAGGSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1ccc(F)cc1 ZINC001403116040 1162741431 /nfs/dbraw/zinc/74/14/31/1162741431.db2.gz KVCHRSFNNJHINB-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)Cc3ccco3)C2)cc1 ZINC001391112869 1156124591 /nfs/dbraw/zinc/12/45/91/1156124591.db2.gz RVOJJHRHXVXPIV-QGZVFWFLSA-N 0 3 323.396 2.332 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001391789329 1156803413 /nfs/dbraw/zinc/80/34/13/1156803413.db2.gz OFKDPXKDUIUSQL-BBRMVZONSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(OC)ns1)C(C)C ZINC001392220877 1156895964 /nfs/dbraw/zinc/89/59/64/1156895964.db2.gz NNWCMLOPOHQBBX-SNVBAGLBSA-N 0 3 317.842 2.248 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)c1cc[nH]c1)C(C)C ZINC001392219737 1156895975 /nfs/dbraw/zinc/89/59/75/1156895975.db2.gz WWMXFHSAQHYGQC-GFCCVEGCSA-N 0 3 314.227 2.267 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001392557733 1157131302 /nfs/dbraw/zinc/13/13/02/1157131302.db2.gz NIZHAKUQNXCCMM-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCCCN1CCc1ccns1 ZINC001403284956 1162838349 /nfs/dbraw/zinc/83/83/49/1162838349.db2.gz JOXQVHPIONTJQJ-ZIAGYGMSSA-N 0 3 320.462 2.206 20 30 DEEDHN Cc1cnoc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001392711410 1157361558 /nfs/dbraw/zinc/36/15/58/1157361558.db2.gz YVIBNCBBBLLNOH-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001403410253 1162875029 /nfs/dbraw/zinc/87/50/29/1162875029.db2.gz KLRKPUFXTLQXLT-NXOAAHMSSA-N 0 3 315.392 2.100 20 30 DEEDHN Cc1nc(CCN2CCC(C)(NC(=O)[C@H](C)C#N)CC2)cs1 ZINC001393059416 1157640589 /nfs/dbraw/zinc/64/05/89/1157640589.db2.gz UTKMVGXOSFLTJI-GFCCVEGCSA-N 0 3 320.462 2.124 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001393099569 1157681278 /nfs/dbraw/zinc/68/12/78/1157681278.db2.gz FTXLRWSKYDKBAG-SCLBCKFNSA-N 0 3 310.401 2.408 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001393150502 1157723467 /nfs/dbraw/zinc/72/34/67/1157723467.db2.gz ULTGFIOYSYXCCD-IAKITYDDSA-N 0 3 304.221 2.293 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(CCc2ccns2)C1 ZINC001393183446 1157743392 /nfs/dbraw/zinc/74/33/92/1157743392.db2.gz DHUIINBMCCHMDR-XJKSGUPXSA-N 0 3 320.462 2.064 20 30 DEEDHN C[C@@H](NC(=O)c1ccn(C)c1)[C@H](C)NCc1ccc(C#N)s1 ZINC001393942733 1158087997 /nfs/dbraw/zinc/08/79/97/1158087997.db2.gz YUQQKMCVEFTHDI-NWDGAFQWSA-N 0 3 316.430 2.255 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCCCO1 ZINC001375026345 1158216461 /nfs/dbraw/zinc/21/64/61/1158216461.db2.gz WLVXVLABNJWSHW-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccoc1)N(C)Cc1cccc(C#N)c1 ZINC001394067384 1158230105 /nfs/dbraw/zinc/23/01/05/1158230105.db2.gz UFDFBFBXLCTLEU-CQSZACIVSA-N 0 3 311.385 2.330 20 30 DEEDHN COC[C@H](C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394127307 1158319110 /nfs/dbraw/zinc/31/91/10/1158319110.db2.gz SRXBGUCNCXLKIC-HUUCEWRRSA-N 0 3 317.433 2.167 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001394361085 1158427541 /nfs/dbraw/zinc/42/75/41/1158427541.db2.gz NPHISEBIEOYQOF-XJKCOSOUSA-N 0 3 317.458 2.294 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN(C)C2CCC2)[C@@H]1C ZINC001394694721 1158686277 /nfs/dbraw/zinc/68/62/77/1158686277.db2.gz OVCAWQIDKAHCAS-DZGCQCFKSA-N 0 3 313.873 2.192 20 30 DEEDHN C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001403540990 1162980761 /nfs/dbraw/zinc/98/07/61/1162980761.db2.gz RGBGMUARSFUONT-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN C[C@H](CN(C)C(=O)CCCF)NCc1ccc(C#N)c(F)c1 ZINC001403575262 1163014907 /nfs/dbraw/zinc/01/49/07/1163014907.db2.gz HNCNENNAODNJEY-GFCCVEGCSA-N 0 3 309.360 2.384 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H](CNC(=O)CCCF)C2CC2)c1 ZINC001376245543 1159281728 /nfs/dbraw/zinc/28/17/28/1159281728.db2.gz YILZRRSYFMYTIC-INIZCTEOSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001376473089 1159421645 /nfs/dbraw/zinc/42/16/45/1159421645.db2.gz RDYMMHJPCNVKQF-OUAUKWLOSA-N 0 3 307.207 2.126 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001397036793 1159910713 /nfs/dbraw/zinc/91/07/13/1159910713.db2.gz MDUQIGSTYKBXDP-DFBGVHRSSA-N 0 3 324.856 2.065 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001377136216 1159954184 /nfs/dbraw/zinc/95/41/84/1159954184.db2.gz ZFRGJJGMLCGRMW-BLLLJJGKSA-N 0 3 303.381 2.411 20 30 DEEDHN CCN(CCNC(=O)Cc1ccoc1)Cc1cccc(C#N)c1 ZINC001377297159 1160162617 /nfs/dbraw/zinc/16/26/17/1160162617.db2.gz WKSUQIOWANIKSA-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](CC)OCC)C1 ZINC001397678253 1160395482 /nfs/dbraw/zinc/39/54/82/1160395482.db2.gz RRKUHPGWHDGACU-MJBXVCDLSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1nn(C)cc1C ZINC001377945076 1160878591 /nfs/dbraw/zinc/87/85/91/1160878591.db2.gz RYFGYFAXXGISBI-UHFFFAOYSA-N 0 3 312.845 2.169 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001398760021 1161093025 /nfs/dbraw/zinc/09/30/25/1161093025.db2.gz FUSICOOMOHXKOC-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC001399431940 1161391273 /nfs/dbraw/zinc/39/12/73/1161391273.db2.gz RWTHCEFWANRXCA-OLZOCXBDSA-N 0 3 300.830 2.040 20 30 DEEDHN CCCN(CCNC(=O)c1ccon1)Cc1cccc(C#N)c1 ZINC001399956616 1161617984 /nfs/dbraw/zinc/61/79/84/1161617984.db2.gz VRRWYDKILUSFSU-UHFFFAOYSA-N 0 3 312.373 2.188 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001400299582 1161713040 /nfs/dbraw/zinc/71/30/40/1161713040.db2.gz JEUQLZGZMHWRRD-YOEHRIQHSA-N 0 3 322.412 2.475 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001400299553 1161713091 /nfs/dbraw/zinc/71/30/91/1161713091.db2.gz JEUQLZGZMHWRRD-PBHICJAKSA-N 0 3 322.412 2.475 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1cc(F)ccc1F ZINC001401318287 1161928401 /nfs/dbraw/zinc/92/84/01/1161928401.db2.gz NRXMLCGDFFUAIK-IAQYHMDHSA-N 0 3 309.360 2.355 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccon1 ZINC001402018810 1162217999 /nfs/dbraw/zinc/21/79/99/1162217999.db2.gz NVQXORKSZLQHTH-TZMCWYRMSA-N 0 3 311.813 2.329 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001402120088 1162252559 /nfs/dbraw/zinc/25/25/59/1162252559.db2.gz BNBCEPUHYDGODA-SUMWQHHRSA-N 0 3 303.381 2.396 20 30 DEEDHN Cc1cncc(CN2CCC([C@H](C)NC(=O)[C@H](C)C#N)CC2)c1 ZINC001403989148 1163355836 /nfs/dbraw/zinc/35/58/36/1163355836.db2.gz KQNANVWDVXVEJI-CABCVRRESA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2cscn2)C1 ZINC001404021880 1163381508 /nfs/dbraw/zinc/38/15/08/1163381508.db2.gz PCYJFLDGZPIZLK-UHFFFAOYSA-N 0 3 313.854 2.407 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@H](CCNC(=O)c2cnco2)C1 ZINC001404516407 1163691919 /nfs/dbraw/zinc/69/19/19/1163691919.db2.gz GOTWQGPXUWEGMU-CQSZACIVSA-N 0 3 324.384 2.188 20 30 DEEDHN CC[C@@H](CNC(=O)Cc1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001405332827 1164053480 /nfs/dbraw/zinc/05/34/80/1164053480.db2.gz AYYFMHGWEKEVRO-LBPRGKRZSA-N 0 3 316.430 2.175 20 30 DEEDHN COCCC1(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001406482779 1164632480 /nfs/dbraw/zinc/63/24/80/1164632480.db2.gz KZIFSHPDHHCQAU-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN CCO[C@H](C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001407108180 1164979767 /nfs/dbraw/zinc/97/97/67/1164979767.db2.gz WHOLAKYLNSCBQU-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN Cc1cccnc1CN1CC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001408107410 1165480535 /nfs/dbraw/zinc/48/05/35/1165480535.db2.gz QWZMSOATLBGPJD-GOEBONIOSA-N 0 3 314.433 2.266 20 30 DEEDHN CC(C)C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001417759673 1167192639 /nfs/dbraw/zinc/19/26/39/1167192639.db2.gz YRRBZJKFXIHIMX-OTVXOJSOSA-N 0 3 303.381 2.338 20 30 DEEDHN CC(C)CC(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001418051988 1167383468 /nfs/dbraw/zinc/38/34/68/1167383468.db2.gz KFYUUEQRFSYDPZ-SHTZXODSSA-N 0 3 303.381 2.480 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418196539 1167478106 /nfs/dbraw/zinc/47/81/06/1167478106.db2.gz SHCIIQLORIQRDT-QWRGUYRKSA-N 0 3 309.410 2.043 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418196540 1167478155 /nfs/dbraw/zinc/47/81/55/1167478155.db2.gz SHCIIQLORIQRDT-WDEREUQCSA-N 0 3 309.410 2.043 20 30 DEEDHN C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NCc1ccccc1C#N ZINC001418391602 1167621256 /nfs/dbraw/zinc/62/12/56/1167621256.db2.gz GCICSCQEPUOMFJ-ZDUSSCGKSA-N 0 3 321.384 2.056 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1ccsn1 ZINC001418406941 1167631567 /nfs/dbraw/zinc/63/15/67/1167631567.db2.gz LMNZCZKOHMDCQL-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN CC[C@H](F)CN(C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001418929137 1168071267 /nfs/dbraw/zinc/07/12/67/1168071267.db2.gz LWDOIEODYAUJFD-OLZOCXBDSA-N 0 3 306.385 2.028 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001419100481 1168204493 /nfs/dbraw/zinc/20/44/93/1168204493.db2.gz AJTOEBUXBLDAQV-RHSMWYFYSA-N 0 3 322.412 2.427 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)nn2C)CCCC1 ZINC001419292032 1168379491 /nfs/dbraw/zinc/37/94/91/1168379491.db2.gz FYWYNASMLHOOAQ-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NCc1ccc(C#N)cc1F ZINC001419866036 1168881525 /nfs/dbraw/zinc/88/15/25/1168881525.db2.gz PHDPREWNFDATOP-WBMJQRKESA-N 0 3 316.380 2.087 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)Cc3ccc[nH]3)C2)c1 ZINC001420562944 1169800684 /nfs/dbraw/zinc/80/06/84/1169800684.db2.gz YQTSIGSLUQXVQZ-QGZVFWFLSA-N 0 3 322.412 2.067 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cnn(CC)c2)CCCC1 ZINC001421514856 1171829002 /nfs/dbraw/zinc/82/90/02/1171829002.db2.gz PATYCXWSHWTSQX-UHFFFAOYSA-N 0 3 324.856 2.217 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001421567754 1171851538 /nfs/dbraw/zinc/85/15/38/1171851538.db2.gz QZONEYCLSPNLLX-RURKYGKJSA-N 0 3 324.852 2.037 20 30 DEEDHN CN1CCN(C[C@H](O)c2cccc(C#N)c2)C[C@@H]1C(C)(C)C ZINC001422004629 1172224012 /nfs/dbraw/zinc/22/40/12/1172224012.db2.gz LYQCZBLLTFRJAX-DLBZAZTESA-N 0 3 301.434 2.254 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)C(C)C ZINC001422096620 1172302547 /nfs/dbraw/zinc/30/25/47/1172302547.db2.gz JKANWWGCGKNXQP-HOCLYGCPSA-N 0 3 322.836 2.473 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1ccn(C)c1 ZINC001422128743 1172326442 /nfs/dbraw/zinc/32/64/42/1172326442.db2.gz XCBHUVAKNRAUNT-NSHDSACASA-N 0 3 314.227 2.032 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1Cc2ccccc2O1 ZINC001422148003 1172345381 /nfs/dbraw/zinc/34/53/81/1172345381.db2.gz FSMXEJYXXRQVKM-SWLSCSKDSA-N 0 3 308.809 2.227 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cncn2C)CC1 ZINC001422199740 1172388748 /nfs/dbraw/zinc/38/87/48/1172388748.db2.gz HMHOKDKDAVXUAP-UHFFFAOYSA-N 0 3 324.856 2.347 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001422276247 1172454060 /nfs/dbraw/zinc/45/40/60/1172454060.db2.gz MRCSATLYINYAIU-UHFFFAOYSA-N 0 3 324.856 2.370 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(COC)CCC2)C1 ZINC001422276619 1172455042 /nfs/dbraw/zinc/45/50/42/1172455042.db2.gz OCRLEIKKIWKMBH-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1CCCC1 ZINC001422457112 1172607325 /nfs/dbraw/zinc/60/73/25/1172607325.db2.gz SCXJDNQQINYKSL-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001422907982 1172916395 /nfs/dbraw/zinc/91/63/95/1172916395.db2.gz YYIXXLXHVIINKV-JOCQHMNTSA-N 0 3 310.829 2.315 20 30 DEEDHN CCC(=O)N(C)[C@@H](CNCc1cc(C#N)ccc1F)C1CC1 ZINC001422958525 1172974259 /nfs/dbraw/zinc/97/42/59/1172974259.db2.gz ANOBGMQYFISFFI-INIZCTEOSA-N 0 3 303.381 2.434 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3cncc(F)c3)CC2)cc1 ZINC001423191719 1173157986 /nfs/dbraw/zinc/15/79/86/1173157986.db2.gz GVYCIMGJLUWHLY-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cccnn2)CC1 ZINC001424663679 1173859566 /nfs/dbraw/zinc/85/95/66/1173859566.db2.gz RJQDGJPYDMBHRQ-UHFFFAOYSA-N 0 3 322.840 2.403 20 30 DEEDHN C[C@@H](NC(=O)C(C)(C)F)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001424743277 1173894750 /nfs/dbraw/zinc/89/47/50/1173894750.db2.gz ABACSTQMLKWLJP-WDEREUQCSA-N 0 3 309.360 2.428 20 30 DEEDHN CCOC(=O)C1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC001433920277 1178069189 /nfs/dbraw/zinc/06/91/89/1178069189.db2.gz LVZPFGZHOQVHKB-HNNXBMFYSA-N 0 3 314.385 2.218 20 30 DEEDHN C[C@H](CNc1cnc(C#N)c(C#N)n1)N1CCc2ccccc2C1 ZINC001434437314 1178547256 /nfs/dbraw/zinc/54/72/56/1178547256.db2.gz UZBWMVXFUJMGBD-CYBMUJFWSA-N 0 3 318.384 2.079 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H](CC)SC)C1 ZINC001436889605 1179291616 /nfs/dbraw/zinc/29/16/16/1179291616.db2.gz SFQZNKINODEURH-GMTAPVOTSA-N 0 3 321.284 2.273 20 30 DEEDHN Cc1nc(CNC2CCC(NC(=O)[C@H](C)C#N)CC2)sc1C ZINC001437094985 1179400109 /nfs/dbraw/zinc/40/01/09/1179400109.db2.gz KLRKTTIHNSBXDT-GWMXKSKGSA-N 0 3 320.462 2.437 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001437398846 1179784372 /nfs/dbraw/zinc/78/43/72/1179784372.db2.gz FVHXMVHTCXASAP-NSHDSACASA-N 0 3 312.845 2.370 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccsn1 ZINC001438668270 1180737585 /nfs/dbraw/zinc/73/75/85/1180737585.db2.gz OVHFSQAEPSAGPD-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@@H](C)SC)C(C)C ZINC001438789206 1180813235 /nfs/dbraw/zinc/81/32/35/1180813235.db2.gz KROWXGQIZKBHRB-MNOVXSKESA-N 0 3 323.300 2.377 20 30 DEEDHN Cc1ccc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)o1 ZINC001439096259 1180882054 /nfs/dbraw/zinc/88/20/54/1180882054.db2.gz NKDMQINNEXGHSQ-SNVBAGLBSA-N 0 3 303.387 2.429 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)ccn1 ZINC001439166186 1180907125 /nfs/dbraw/zinc/90/71/25/1180907125.db2.gz KUFMLMIWZMRRMF-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@H]2CCc3c2cccc3F)CC1 ZINC001439594573 1181162078 /nfs/dbraw/zinc/16/20/78/1181162078.db2.gz CQBIVOSFARFSHW-ABAIWWIYSA-N 0 3 301.365 2.211 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCn2cc(C)cn2)C1 ZINC001440409079 1181493074 /nfs/dbraw/zinc/49/30/74/1181493074.db2.gz WTXBLXLUKODEPL-LSDHHAIUSA-N 0 3 324.856 2.209 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@H]1CCCO1 ZINC001440879517 1181740877 /nfs/dbraw/zinc/74/08/77/1181740877.db2.gz PKUXOQRUPHMVKM-CYBMUJFWSA-N 0 3 302.846 2.382 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001440949563 1181792434 /nfs/dbraw/zinc/79/24/34/1181792434.db2.gz CFLRJKYOKWMDML-BBRMVZONSA-N 0 3 305.397 2.489 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001441483864 1182017964 /nfs/dbraw/zinc/01/79/64/1182017964.db2.gz BQWOKRNRCMVYEM-MJBXVCDLSA-N 0 3 302.846 2.427 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2(OC)CCC2)C1 ZINC001442231892 1182381074 /nfs/dbraw/zinc/38/10/74/1182381074.db2.gz RGELLDGLMACLDD-UHFFFAOYSA-N 0 3 300.830 2.277 20 30 DEEDHN COc1cccc(Cl)c1CN[C@H](C)CCNC(=O)[C@H](C)C#N ZINC001442243021 1182387785 /nfs/dbraw/zinc/38/77/85/1182387785.db2.gz MULXESLGYOTJJJ-VXGBXAGGSA-N 0 3 323.824 2.493 20 30 DEEDHN CC[C@H](F)CN(C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001443322092 1182927961 /nfs/dbraw/zinc/92/79/61/1182927961.db2.gz UTZNKPGMKCFLHK-OCCSQVGLSA-N 0 3 306.385 2.028 20 30 DEEDHN CC[C@H](CNC(=O)COC(C)C)NCc1ccc(C#N)c(F)c1 ZINC001443902302 1183194255 /nfs/dbraw/zinc/19/42/55/1183194255.db2.gz DFLHVUZLKHXZOV-OAHLLOKOSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cnn(CC)c1)C1CC1 ZINC001444104964 1183287665 /nfs/dbraw/zinc/28/76/65/1183287665.db2.gz KMCCJTZDGDQJGQ-OAHLLOKOSA-N 0 3 310.829 2.144 20 30 DEEDHN Cc1ccc(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)n1C ZINC001444281284 1183328003 /nfs/dbraw/zinc/32/80/03/1183328003.db2.gz DYYZQYRUQGGZRH-AWEZNQCLSA-N 0 3 324.428 2.361 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccn2nccc12)C(C)C ZINC001444875827 1183613757 /nfs/dbraw/zinc/61/37/57/1183613757.db2.gz FJRWGELPQHNZFL-CQSZACIVSA-N 0 3 320.824 2.431 20 30 DEEDHN Cc1cocc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001445422215 1183867286 /nfs/dbraw/zinc/86/72/86/1183867286.db2.gz YCHUMWMOXOPTJH-LLVKDONJSA-N 0 3 303.387 2.429 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001445506376 1183887986 /nfs/dbraw/zinc/88/79/86/1183887986.db2.gz VVQCEPGXZAFDAM-UKRRQHHQSA-N 0 3 309.841 2.136 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001445640032 1183947287 /nfs/dbraw/zinc/94/72/87/1183947287.db2.gz AQQLPQQSDBAIJI-NSHDSACASA-N 0 3 302.403 2.164 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccn(C)c1 ZINC001445689728 1183981746 /nfs/dbraw/zinc/98/17/46/1183981746.db2.gz JQNKBMNGJKXUAU-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN C[C@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@@H](C)C#N ZINC001445690143 1183982964 /nfs/dbraw/zinc/98/29/64/1183982964.db2.gz RKWMDLZWCQMPOH-LSDHHAIUSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1cc(F)cc(F)c1 ZINC001447327790 1184726825 /nfs/dbraw/zinc/72/68/25/1184726825.db2.gz OMXJPUJAAMKZNN-LBPRGKRZSA-N 0 3 309.360 2.405 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(OC)ns2)C1 ZINC001447793216 1184876404 /nfs/dbraw/zinc/87/64/04/1184876404.db2.gz MLKPOEMZNBRYQT-UHFFFAOYSA-N 0 3 315.826 2.002 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](C)N(C)CCOc1ccc(Cl)cc1 ZINC001447998135 1185012664 /nfs/dbraw/zinc/01/26/64/1185012664.db2.gz XNWKAGODUCUCTL-OLZOCXBDSA-N 0 3 323.824 2.315 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC001449362907 1185676724 /nfs/dbraw/zinc/67/67/24/1185676724.db2.gz HQNHDVWLHOBMKI-FNBIGBAISA-N 0 3 307.344 2.203 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C(F)F)on2)CC1 ZINC001347342212 1151057938 /nfs/dbraw/zinc/05/79/38/1151057938.db2.gz BZSKFSQERAPJCS-UHFFFAOYSA-N 0 3 314.336 2.062 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H](NCc2ccnn2C)C[C@@H]1C ZINC001331991708 1149804306 /nfs/dbraw/zinc/80/43/06/1149804306.db2.gz OJVZXXGVZZSRKF-GOEBONIOSA-N 0 3 316.449 2.268 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H](NCc2ccnn2C)C[C@H]1C ZINC001331991707 1149804428 /nfs/dbraw/zinc/80/44/28/1149804428.db2.gz OJVZXXGVZZSRKF-GDBMZVCRSA-N 0 3 316.449 2.268 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001332006858 1149806614 /nfs/dbraw/zinc/80/66/14/1149806614.db2.gz GIMVWTZFECPRIO-DOTOQJQBSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)[C@H](C)CC(F)(F)F)CCC[C@H]12 ZINC001332099929 1149819257 /nfs/dbraw/zinc/81/92/57/1149819257.db2.gz MELCLWIHRTVXRP-DYEKYZERSA-N 0 3 302.340 2.321 20 30 DEEDHN CC(C)OCCN1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001332179032 1149830731 /nfs/dbraw/zinc/83/07/31/1149830731.db2.gz TULPFEZORPFOEU-JKSUJKDBSA-N 0 3 308.466 2.430 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2OC)C1 ZINC001099131893 782261411 /nfs/dbraw/zinc/26/14/11/782261411.db2.gz QNKPGWYFHQOTIG-GUYCJALGSA-N 0 3 318.442 2.364 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001136410811 790318313 /nfs/dbraw/zinc/31/83/13/790318313.db2.gz NOLWWQZGZDOVHF-UHFFFAOYSA-N 0 3 324.465 2.466 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1csc2cncn21)C(C)C ZINC001332731595 1149885674 /nfs/dbraw/zinc/88/56/74/1149885674.db2.gz ABMKRVSJWZMTGG-UHFFFAOYSA-N 0 3 306.435 2.364 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C[C@@H]1C ZINC000947353355 783086837 /nfs/dbraw/zinc/08/68/37/783086837.db2.gz VVSMQNFRSATHKC-CMPLNLGQSA-N 0 3 312.364 2.355 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3nccn32)CC(C)(C)C1 ZINC001089441776 783110221 /nfs/dbraw/zinc/11/02/21/783110221.db2.gz KYLWKCPGGXZEDF-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cncc(CC)c2)CC(C)(C)C1 ZINC001089442139 783110477 /nfs/dbraw/zinc/11/04/77/783110477.db2.gz NPMFDXBGTVJLPX-QGZVFWFLSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)sc2C)C[C@@H]1C ZINC000947442820 783138124 /nfs/dbraw/zinc/13/81/24/783138124.db2.gz ZLXWWCPQJNGPKA-SMDDNHRTSA-N 0 3 305.447 2.366 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncn3ccc(C)cc23)C[C@H]1C ZINC000947468730 783145312 /nfs/dbraw/zinc/14/53/12/783145312.db2.gz OQSHJHMRXQAOLB-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3ncccc32)C[C@@H]1C ZINC000947592538 783183944 /nfs/dbraw/zinc/18/39/44/783183944.db2.gz ACMAFNMTUOCJFL-LSDHHAIUSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3onc(C)c3c2)C[C@@H]1C ZINC000947597597 783186093 /nfs/dbraw/zinc/18/60/93/783186093.db2.gz ILEWUZMPXMMMFW-FZMZJTMJSA-N 0 3 314.389 2.300 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccs2)CC(C)(C)C1 ZINC001089528698 783186323 /nfs/dbraw/zinc/18/63/23/783186323.db2.gz MMTSTSKZJODKBJ-ZDUSSCGKSA-N 0 3 305.447 2.387 20 30 DEEDHN C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001170961366 790331980 /nfs/dbraw/zinc/33/19/80/790331980.db2.gz BSAHPZOLZGPRMF-CYBMUJFWSA-N 0 3 315.421 2.412 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)c3cccs3)C2)C1 ZINC001072974755 790347113 /nfs/dbraw/zinc/34/71/13/790347113.db2.gz MDEXCMSNQJJIKW-CQSZACIVSA-N 0 3 302.443 2.409 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc4ccccn4c3)C2)C1 ZINC001073031747 790404585 /nfs/dbraw/zinc/40/45/85/790404585.db2.gz PDKMNHQONHGCAK-UHFFFAOYSA-N 0 3 307.397 2.111 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)c3c(C)noc3C)C2)C1 ZINC001073057077 790421802 /nfs/dbraw/zinc/42/18/02/790421802.db2.gz HMZHOPWAIJAFAT-LBPRGKRZSA-N 0 3 303.406 2.115 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4c(c3)C[C@H](C)O4)C2)C1 ZINC001073059391 790423666 /nfs/dbraw/zinc/42/36/66/790423666.db2.gz DNHISLYZPAWQCJ-HNNXBMFYSA-N 0 3 324.424 2.181 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)c3ccc(Cl)[nH]3)[C@H]2C1 ZINC001083185467 776540694 /nfs/dbraw/zinc/54/06/94/776540694.db2.gz UVAHSKOBTISRRP-UONOGXRCSA-N 0 3 323.824 2.160 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H](O)C1 ZINC001090746954 790475673 /nfs/dbraw/zinc/47/56/73/790475673.db2.gz KKABVLUOFHILQS-HUUCEWRRSA-N 0 3 308.809 2.081 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](O)C1 ZINC001090745982 790479520 /nfs/dbraw/zinc/47/95/20/790479520.db2.gz DFTOYIXLGVSOTF-QBPKDAKJSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001104245581 776784752 /nfs/dbraw/zinc/78/47/52/776784752.db2.gz QIMJHGLYUZWAEZ-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1CC12CCC2 ZINC001167379207 776969098 /nfs/dbraw/zinc/96/90/98/776969098.db2.gz AMPMSQHKCCRWDR-LLVKDONJSA-N 0 3 301.228 2.181 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1cc(C2CC2)no1 ZINC001167465644 777111514 /nfs/dbraw/zinc/11/15/14/777111514.db2.gz POCKCBCCDLBHAX-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1c1ccccc1 ZINC001211548448 777354173 /nfs/dbraw/zinc/35/41/73/777354173.db2.gz USKKCHDEJAUCKI-DLBZAZTESA-N 0 3 323.396 2.204 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211563404 777419316 /nfs/dbraw/zinc/41/93/16/777419316.db2.gz QZSNZNNDYBTPQH-QVACLCSDSA-N 0 3 317.820 2.483 20 30 DEEDHN C=C(C)C(=O)NCCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167670622 777502181 /nfs/dbraw/zinc/50/21/81/777502181.db2.gz BBKKLQCUGAAVTF-CIAFOILYSA-N 0 3 313.405 2.274 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)no3)C(C)(C)[C@@H]21 ZINC001087270912 777676917 /nfs/dbraw/zinc/67/69/17/777676917.db2.gz INPKUMWZHOBTGF-FVQBIDKESA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccoc3C)C(C)(C)[C@@H]21 ZINC001087271547 777677028 /nfs/dbraw/zinc/67/70/28/777677028.db2.gz SYZXNVUTZVHORG-BZUAXINKSA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ncoc3CC)C(C)(C)[C@@H]21 ZINC001087276948 777697120 /nfs/dbraw/zinc/69/71/20/777697120.db2.gz HQBZLRKZGQADQD-DAXOMENPSA-N 0 3 315.417 2.089 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cncc(C)c3)C(C)(C)[C@@H]21 ZINC001087278664 777703162 /nfs/dbraw/zinc/70/31/62/777703162.db2.gz LCBZGLCSARVEMH-BRWVUGGUSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)sn3)C(C)(C)[C@H]21 ZINC001087281249 777710758 /nfs/dbraw/zinc/71/07/58/777710758.db2.gz DOHHMRIKWHQDRR-YUELXQCFSA-N 0 3 317.458 2.304 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1[nH]c(C)cc1C ZINC001087288816 777734408 /nfs/dbraw/zinc/73/44/08/777734408.db2.gz COSBFMZODUVQIT-HYVNUMGLSA-N 0 3 313.445 2.484 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC1(C)C)C[C@@H](C)O2 ZINC001098589639 777746012 /nfs/dbraw/zinc/74/60/12/777746012.db2.gz KMRZTMQPPNQLDT-CABCVRRESA-N 0 3 306.450 2.300 20 30 DEEDHN CC[C@H](C(=O)N(C)[C@@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001104626434 777975959 /nfs/dbraw/zinc/97/59/59/777975959.db2.gz DYFHNASSSFMXFC-BLLLJJGKSA-N 0 3 320.412 2.296 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1C ZINC001104864984 778219910 /nfs/dbraw/zinc/21/99/10/778219910.db2.gz CUGJPSGONRZINX-DGCLKSJQSA-N 0 3 311.813 2.423 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090860036 790607189 /nfs/dbraw/zinc/60/71/89/790607189.db2.gz PAPUZWGEIYMXLO-ZWKOTPCHSA-N 0 3 312.413 2.013 20 30 DEEDHN C=C(C)CCC(=O)N1CC(n2cc(CNCCCCC)nn2)C1 ZINC001105253695 778402410 /nfs/dbraw/zinc/40/24/10/778402410.db2.gz AHDQCVQXJUDGCT-UHFFFAOYSA-N 0 3 319.453 2.298 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105299175 778431546 /nfs/dbraw/zinc/43/15/46/778431546.db2.gz JKLYZESOLOHFCW-UHFFFAOYSA-N 0 3 319.453 2.153 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105309891 778438582 /nfs/dbraw/zinc/43/85/82/778438582.db2.gz HHFGMFNQGGTEDD-AWEZNQCLSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105334572 778465732 /nfs/dbraw/zinc/46/57/32/778465732.db2.gz JMYUURWABBLBSN-UHFFFAOYSA-N 0 3 319.453 2.153 20 30 DEEDHN C[C@@H](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)N(C)C1CC1 ZINC001143663166 790623548 /nfs/dbraw/zinc/62/35/48/790623548.db2.gz JJBOZQWQHFYYOA-DJTWPOEFSA-N 0 3 304.365 2.007 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](F)C(C)C)C[C@@H](C)O2 ZINC001098627350 778568977 /nfs/dbraw/zinc/56/89/77/778568977.db2.gz PDPQSAAMJQLPFM-HUUCEWRRSA-N 0 3 312.429 2.248 20 30 DEEDHN CC[C@H](C)CC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001126307421 778691646 /nfs/dbraw/zinc/69/16/46/778691646.db2.gz TUCFLHFOCABVHR-ZDUSSCGKSA-N 0 3 303.406 2.209 20 30 DEEDHN CN1CCN(C2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000895027703 779215686 /nfs/dbraw/zinc/21/56/86/779215686.db2.gz JIYIWQDWTRJGLG-UHFFFAOYSA-N 0 3 318.852 2.428 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3Oc4ccccc4[C@@H]3C)C2)C1 ZINC001073489433 790688759 /nfs/dbraw/zinc/68/87/59/790688759.db2.gz VUZHUJUHRHRUEP-YJBOKZPZSA-N 0 3 324.424 2.109 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H]1CC ZINC001087566821 779353544 /nfs/dbraw/zinc/35/35/44/779353544.db2.gz HIWBLGHLZJHJBW-DZGCQCFKSA-N 0 3 304.438 2.312 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OCC)nc2)[C@H]1CC ZINC001087593261 779368336 /nfs/dbraw/zinc/36/83/36/779368336.db2.gz YGBMVAIZACGMDN-LSDHHAIUSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)[C@H]1CC ZINC001087600643 779373368 /nfs/dbraw/zinc/37/33/68/779373368.db2.gz DQIXBIGAWNELSP-GOEBONIOSA-N 0 3 315.417 2.433 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)n(C)n2)[C@H]1CC ZINC001087658665 779401518 /nfs/dbraw/zinc/40/15/18/779401518.db2.gz PGSLCCUTXWGTHI-CMPLNLGQSA-N 0 3 312.364 2.126 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@H]1CC ZINC001087764368 779442939 /nfs/dbraw/zinc/44/29/39/779442939.db2.gz NAAHVPREZVIRJX-TUKIKUTGSA-N 0 3 304.438 2.285 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cn2ncc3ccccc32)[C@H]1CC ZINC001087765436 779443022 /nfs/dbraw/zinc/44/30/22/779443022.db2.gz RTYREULAXICGKC-DLBZAZTESA-N 0 3 324.428 2.029 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3F)[C@@H]2C1 ZINC001075821390 779480008 /nfs/dbraw/zinc/48/00/08/779480008.db2.gz RXWKBBYPAFUDPU-XJKSGUPXSA-N 0 3 306.356 2.226 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cscc3C)C[C@@H]2C1 ZINC001087924747 779548393 /nfs/dbraw/zinc/54/83/93/779548393.db2.gz HTBWKTUIWJJZFF-CABCVRRESA-N 0 3 302.443 2.474 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3conc3C(C)C)C[C@@H]2C1 ZINC001087990329 779617300 /nfs/dbraw/zinc/61/73/00/779617300.db2.gz AFEZIHYBFACATJ-CABCVRRESA-N 0 3 315.417 2.215 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccccc3OCC=C)C[C@@H]2C1 ZINC001088016490 779635561 /nfs/dbraw/zinc/63/55/61/779635561.db2.gz HOOXKZYZQIJDTP-SJORKVTESA-N 0 3 324.424 2.279 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)nc3C)C[C@@H]2C1 ZINC001088111526 779707624 /nfs/dbraw/zinc/70/76/24/779707624.db2.gz FDCFKFZMDIWYJV-SJORKVTESA-N 0 3 323.440 2.295 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3csc(C(C)C)n3)C[C@@H]2C1 ZINC001088140971 779725131 /nfs/dbraw/zinc/72/51/31/779725131.db2.gz OIENILKTZRURKJ-KGLIPLIRSA-N 0 3 317.458 2.294 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]2C1 ZINC001088180702 779759162 /nfs/dbraw/zinc/75/91/62/779759162.db2.gz WPUBSUAMTMYMNM-WBVHZDCISA-N 0 3 321.424 2.124 20 30 DEEDHN N#Cc1cncc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001144075341 790743738 /nfs/dbraw/zinc/74/37/38/790743738.db2.gz NVGPCCQDHGWDQJ-RBUKOAKNSA-N 0 3 319.412 2.197 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@H](NCc2cncs2)C1 ZINC001088282048 779903363 /nfs/dbraw/zinc/90/33/63/779903363.db2.gz YNMDDYUBTVEFCL-STQMWFEESA-N 0 3 306.435 2.164 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088397805 780071092 /nfs/dbraw/zinc/07/10/92/780071092.db2.gz RHGOHHQXVUEMFG-JYJNAYRXSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001059688759 780199139 /nfs/dbraw/zinc/19/91/39/780199139.db2.gz IFCIMHHXKQGPBA-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCOC3CCC3)[C@@H]2C)C1 ZINC001088844446 780200986 /nfs/dbraw/zinc/20/09/86/780200986.db2.gz RDWSPRGNYPUYRX-ZBFHGGJFSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCCC(=O)NCC[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001059846421 780442851 /nfs/dbraw/zinc/44/28/51/780442851.db2.gz VWVKHGQZTKTUDT-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001073693815 790796133 /nfs/dbraw/zinc/79/61/33/790796133.db2.gz MGMBERLKTSIGHK-BZUAXINKSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc(C(C)(C)C)n2)[C@H]1C ZINC001088564411 780484462 /nfs/dbraw/zinc/48/44/62/780484462.db2.gz QMQBORDIRKMZEF-OLZOCXBDSA-N 0 3 303.406 2.188 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@H]1C ZINC001088606643 780581325 /nfs/dbraw/zinc/58/13/25/780581325.db2.gz FWWRUDQBKINZRK-OCCSQVGLSA-N 0 3 302.422 2.066 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccsc3COC)[C@@H]2C1 ZINC001075947254 780858731 /nfs/dbraw/zinc/85/87/31/780858731.db2.gz SLWHZLHZPPHOSN-DZGCQCFKSA-N 0 3 318.442 2.064 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001073741721 790833456 /nfs/dbraw/zinc/83/34/56/790833456.db2.gz WOHPIHNYYXKMNW-INIZCTEOSA-N 0 3 319.449 2.213 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCCCO2)[C@H](OC)C1 ZINC001212122040 781008995 /nfs/dbraw/zinc/00/89/95/781008995.db2.gz CTYSNOJHIPPWDJ-IXDOHACOSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CN(CCCF)CCCO2)CC1 ZINC001073755653 790847795 /nfs/dbraw/zinc/84/77/95/790847795.db2.gz GFPWIJHNCLFVNP-MRXNPFEDSA-N 0 3 312.429 2.300 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCNCc1ccccc1OC1CC1 ZINC001126916218 781075094 /nfs/dbraw/zinc/07/50/94/781075094.db2.gz OLBYDXPMFFMZOC-UHFFFAOYSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCn3cnc4ccccc43)[C@@H]2C1 ZINC001076010424 781075716 /nfs/dbraw/zinc/07/57/16/781075716.db2.gz WDOQLCOGOIEAEN-MAUKXSAKSA-N 0 3 324.428 2.145 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccc(F)cc43)[C@@H]2C1 ZINC001076181191 781157877 /nfs/dbraw/zinc/15/78/77/781157877.db2.gz OMOLLILYUMEVME-RRQGHBQHSA-N 0 3 300.377 2.184 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(OCC)cc3)[C@@H]2C1 ZINC001076519157 781291070 /nfs/dbraw/zinc/29/10/70/781291070.db2.gz QVYPPCKKINXXIM-FUHWJXTLSA-N 0 3 312.413 2.255 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)CN(CC)CC ZINC001076628519 781330913 /nfs/dbraw/zinc/33/09/13/781330913.db2.gz QPVXWLYHBISIPI-HNNXBMFYSA-N 0 3 323.481 2.108 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@H](OC)C3CCCCC3)[C@@H]2C1 ZINC001076657392 781341321 /nfs/dbraw/zinc/34/13/21/781341321.db2.gz BCLQMSIEVHJSRQ-RCCFBDPRSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(OC)cn3)C2)C1=O ZINC001144423434 790900551 /nfs/dbraw/zinc/90/05/51/790900551.db2.gz JWHBPWXUUUAPSL-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001073841271 790907857 /nfs/dbraw/zinc/90/78/57/790907857.db2.gz GNRVQAYUEJWRMB-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN [NH2+]=C(Nc1c[nH]c2cc(=O)[n-]c-2c1)c1ccc2cc(O)ccc2c1 ZINC001171185020 790908642 /nfs/dbraw/zinc/90/86/42/790908642.db2.gz RHGVRGRBCZXVAA-UHFFFAOYSA-N 0 3 318.336 2.472 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001060262839 781751418 /nfs/dbraw/zinc/75/14/18/781751418.db2.gz DMVJIEMZGSSSCY-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cncc3[nH]ccc32)C1 ZINC001091118975 790914719 /nfs/dbraw/zinc/91/47/19/790914719.db2.gz FPLUYLHMUWVGTG-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)C[C@H]1C ZINC000947925032 783271524 /nfs/dbraw/zinc/27/15/24/783271524.db2.gz INZLDBNRJMCLAY-WBVHZDCISA-N 0 3 309.413 2.464 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncccc2Cl)C[C@@H]1C ZINC000947949461 783274352 /nfs/dbraw/zinc/27/43/52/783274352.db2.gz VVCXCDYIAXZFBC-QWHCGFSZSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)C[C@H]1C ZINC000948036181 783299290 /nfs/dbraw/zinc/29/92/90/783299290.db2.gz OVYGRZZSDWZOPY-NVXWUHKLSA-N 0 3 309.413 2.244 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CCC(C)(C)CN2CCO)CC1 ZINC001089687302 783353442 /nfs/dbraw/zinc/35/34/42/783353442.db2.gz IEYOXLFSFWBOFW-INIZCTEOSA-N 0 3 308.466 2.332 20 30 DEEDHN C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089779675 783428507 /nfs/dbraw/zinc/42/85/07/783428507.db2.gz XZEATGKGQKLCQF-HPBDAGMYSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089779675 783428511 /nfs/dbraw/zinc/42/85/11/783428511.db2.gz XZEATGKGQKLCQF-HPBDAGMYSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ncn3ccc(C)cc23)CC1 ZINC000948567053 783506203 /nfs/dbraw/zinc/50/62/03/783506203.db2.gz SULLFGCYXZVQSL-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001073904408 790947883 /nfs/dbraw/zinc/94/78/83/790947883.db2.gz DFCHALKXNISDBX-OPQOLIRYSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000948594233 783517222 /nfs/dbraw/zinc/51/72/22/783517222.db2.gz LODFRWMHMLZPRN-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C)cn3ccnc23)CC1 ZINC000948643205 783546188 /nfs/dbraw/zinc/54/61/88/783546188.db2.gz SIPXWVGWNNDDSM-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(F)s2)C1 ZINC001073908331 790952715 /nfs/dbraw/zinc/95/27/15/790952715.db2.gz INEADFYDKPEMET-LBPRGKRZSA-N 0 3 312.410 2.284 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccncc2C)C1 ZINC000966104125 783564001 /nfs/dbraw/zinc/56/40/01/783564001.db2.gz MFPDPTLVTDCNJK-RHSMWYFYSA-N 0 3 301.434 2.335 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC000966461064 783665993 /nfs/dbraw/zinc/66/59/93/783665993.db2.gz WVJAZDFQJHMYGG-FZMZJTMJSA-N 0 3 324.375 2.050 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2cc[nH]c12 ZINC001085405757 783671269 /nfs/dbraw/zinc/67/12/69/783671269.db2.gz XBCAGQCNSPTVNZ-CHWSQXEVSA-N 0 3 321.812 2.046 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC000966874270 783788118 /nfs/dbraw/zinc/78/81/18/783788118.db2.gz FKDQLWAHEQCTNY-RDJZCZTQSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966878193 783791119 /nfs/dbraw/zinc/79/11/19/783791119.db2.gz BBKRDTFUXYRANO-CZUORRHYSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899120 783804167 /nfs/dbraw/zinc/80/41/67/783804167.db2.gz BNOGIEVNPLEBMJ-GUYCJALGSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001066281367 783862627 /nfs/dbraw/zinc/86/26/27/783862627.db2.gz WJEIHDOZZVWAQO-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1C1CCC1 ZINC001085601381 783866950 /nfs/dbraw/zinc/86/69/50/783866950.db2.gz VYEJOHFJGMRVDP-OAHLLOKOSA-N 0 3 302.422 2.331 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(Cl)cnn1CC ZINC001085616127 783890241 /nfs/dbraw/zinc/89/02/41/783890241.db2.gz DZRCUBRYZLEJME-LBPRGKRZSA-N 0 3 310.829 2.279 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1OCCO2 ZINC001085629132 783904106 /nfs/dbraw/zinc/90/41/06/783904106.db2.gz MDTZSNUQEISEEC-CQSZACIVSA-N 0 3 316.401 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000967279584 783927464 /nfs/dbraw/zinc/92/74/64/783927464.db2.gz NXNLNJHREKMELY-PBHICJAKSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCCCC2 ZINC001085667315 783948103 /nfs/dbraw/zinc/94/81/03/783948103.db2.gz FOLZNUYFKFZUGK-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001085671280 783952532 /nfs/dbraw/zinc/95/25/32/783952532.db2.gz SQDRKJOZNOORHA-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001085707901 783989010 /nfs/dbraw/zinc/98/90/10/783989010.db2.gz WAOBMMLQYCBZLO-WBVHZDCISA-N 0 3 300.402 2.099 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085743273 784030827 /nfs/dbraw/zinc/03/08/27/784030827.db2.gz KDTSRZOQIOGQIB-HNNXBMFYSA-N 0 3 302.422 2.070 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)[C@@H](C)C1 ZINC001073977513 790993473 /nfs/dbraw/zinc/99/34/73/790993473.db2.gz PVLGETCWKCPBDM-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC000967625394 784073428 /nfs/dbraw/zinc/07/34/28/784073428.db2.gz MEFFXRSVYWLOGT-BBRMVZONSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC000967628466 784074625 /nfs/dbraw/zinc/07/46/25/784074625.db2.gz PJDKBAVAYIAORP-KDOFPFPSSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2c1OCC2 ZINC001085836640 784118707 /nfs/dbraw/zinc/11/87/07/784118707.db2.gz ORBOPTXDTNEEKR-HNNXBMFYSA-N 0 3 300.402 2.344 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001085858210 784147377 /nfs/dbraw/zinc/14/73/77/784147377.db2.gz SPPIZVZTSGNAOO-HNNXBMFYSA-N 0 3 300.406 2.076 20 30 DEEDHN CC#CCN1CC[C@H]1CN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC001085908709 784204678 /nfs/dbraw/zinc/20/46/78/784204678.db2.gz QBDXRFZZSATTMG-AWEZNQCLSA-N 0 3 310.401 2.041 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC000968034917 784208884 /nfs/dbraw/zinc/20/88/84/784208884.db2.gz JJUBHQVPUXTVTM-HOCLYGCPSA-N 0 3 317.433 2.035 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001074000085 791007749 /nfs/dbraw/zinc/00/77/49/791007749.db2.gz VAXRIQFVCRMRJA-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001085929213 784225242 /nfs/dbraw/zinc/22/52/42/784225242.db2.gz RKZLCNBGDPDMHB-QAPCUYQASA-N 0 3 314.429 2.407 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC2CC(C)C2)cn1 ZINC001085932826 784230308 /nfs/dbraw/zinc/23/03/08/784230308.db2.gz JJQYICBZDXZYDC-JMLCCBQJSA-N 0 3 311.429 2.255 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC001085946332 784238681 /nfs/dbraw/zinc/23/86/81/784238681.db2.gz GKJTXZAYJBTDOK-KRWDZBQOSA-N 0 3 301.434 2.475 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)cc1OC ZINC001085944784 784242165 /nfs/dbraw/zinc/24/21/65/784242165.db2.gz RDXLOSUVSKORKG-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968346685 784306905 /nfs/dbraw/zinc/30/69/05/784306905.db2.gz ZVMZPNSGNYOAMM-BBRMVZONSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCCCC(C)C)[C@@H](O)C1 ZINC001100024603 784358433 /nfs/dbraw/zinc/35/84/33/784358433.db2.gz MQICRRZIEUZTTP-IRXDYDNUSA-N 0 3 308.466 2.168 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000968429506 784380710 /nfs/dbraw/zinc/38/07/10/784380710.db2.gz YELJXVYCZAJREG-HUUCEWRRSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC001086071607 784384089 /nfs/dbraw/zinc/38/40/89/784384089.db2.gz UVIHGSZEXMDCNP-YIYPIFLZSA-N 0 3 300.830 2.038 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000968433141 784384602 /nfs/dbraw/zinc/38/46/02/784384602.db2.gz ZQAXBHYDDLASMB-RISCZKNCSA-N 0 3 303.431 2.356 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC001066381717 784392519 /nfs/dbraw/zinc/39/25/19/784392519.db2.gz YBZRWSCHCAXPGN-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001091206402 791022799 /nfs/dbraw/zinc/02/27/99/791022799.db2.gz OSRSLULJHSCRJZ-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968520418 784442483 /nfs/dbraw/zinc/44/24/83/784442483.db2.gz IJPUHPFYRXUVAG-ZFWWWQNUSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000968520418 784442484 /nfs/dbraw/zinc/44/24/84/784442484.db2.gz IJPUHPFYRXUVAG-ZFWWWQNUSA-N 0 3 316.449 2.305 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000968543731 784455867 /nfs/dbraw/zinc/45/58/67/784455867.db2.gz FJKUUHLKGMOPKS-DGCLKSJQSA-N 0 3 324.856 2.266 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC000968562128 784465523 /nfs/dbraw/zinc/46/55/23/784465523.db2.gz QCHMVJAWWXAXQN-ZBFHGGJFSA-N 0 3 324.428 2.037 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)ccc1F ZINC000968602135 784494196 /nfs/dbraw/zinc/49/41/96/784494196.db2.gz BBCNLQUUJGNFAU-CHWSQXEVSA-N 0 3 323.318 2.043 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001086223229 784502414 /nfs/dbraw/zinc/50/24/14/784502414.db2.gz GSNBLTOJSSMCQI-TXEJJXNPSA-N 0 3 311.813 2.396 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001086267901 784533268 /nfs/dbraw/zinc/53/32/68/784533268.db2.gz CVGIXJGAKXIWDB-OKILXGFUSA-N 0 3 309.841 2.492 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001086276474 784540172 /nfs/dbraw/zinc/54/01/72/784540172.db2.gz ROKOQVVCGYBGNR-BETUJISGSA-N 0 3 323.824 2.255 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2COc3ccccc32)C1 ZINC001086285272 784543332 /nfs/dbraw/zinc/54/33/32/784543332.db2.gz ZLRSFIKCEKXIDK-GUTXKFCHSA-N 0 3 320.820 2.400 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ncccc2OCC)C1 ZINC001086287648 784543563 /nfs/dbraw/zinc/54/35/63/784543563.db2.gz LRQOQKXULPFKBH-BETUJISGSA-N 0 3 323.824 2.331 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC ZINC001098185113 784573277 /nfs/dbraw/zinc/57/32/77/784573277.db2.gz NFDOYYZSLMOTPL-MCIONIFRSA-N 0 3 301.390 2.001 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001086360614 784622414 /nfs/dbraw/zinc/62/24/14/784622414.db2.gz OLMPRZXKCVXIOS-GUBZILKMSA-N 0 3 323.181 2.035 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001086366651 784625741 /nfs/dbraw/zinc/62/57/41/784625741.db2.gz GMBDHMMNANZKPF-JOCQHMNTSA-N 0 3 324.856 2.459 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC000968936587 784659394 /nfs/dbraw/zinc/65/93/94/784659394.db2.gz LQYDOKMUNIVWAC-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccc2nccn21 ZINC000968949164 784666102 /nfs/dbraw/zinc/66/61/02/784666102.db2.gz IPMDYZPWVSMVDZ-INIZCTEOSA-N 0 3 324.428 2.332 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC000968951891 784667035 /nfs/dbraw/zinc/66/70/35/784667035.db2.gz IHWJUZRZGQYUDB-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000968957887 784669752 /nfs/dbraw/zinc/66/97/52/784669752.db2.gz VKRGRGOYJYOGQW-LUKYLMHMSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001155725299 784674101 /nfs/dbraw/zinc/67/41/01/784674101.db2.gz MYTLZCUPRKYTPL-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC000968979242 784677884 /nfs/dbraw/zinc/67/78/84/784677884.db2.gz DDQLULBJFRFECE-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001086418966 784702701 /nfs/dbraw/zinc/70/27/01/784702701.db2.gz VAMUPCFYWOLRGC-MQMHXKEQSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cnoc1CC ZINC000969057203 784707151 /nfs/dbraw/zinc/70/71/51/784707151.db2.gz VMIPMCGIUGQDRX-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cncc(OC)n1 ZINC000969059496 784710131 /nfs/dbraw/zinc/71/01/31/784710131.db2.gz MADYECPBLSYADE-AWEZNQCLSA-N 0 3 318.421 2.036 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2cncc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168828597 784932065 /nfs/dbraw/zinc/93/20/65/784932065.db2.gz IVCQZSFKSVINGW-IUODEOHRSA-N 0 3 316.405 2.441 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1NC(=O)CC ZINC001168865766 784942335 /nfs/dbraw/zinc/94/23/35/784942335.db2.gz LQADEEYWBXYOCI-UHFFFAOYSA-N 0 3 323.824 2.497 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001007635888 784967127 /nfs/dbraw/zinc/96/71/27/784967127.db2.gz JWBDCOWJKUROTM-CABCVRRESA-N 0 3 316.449 2.236 20 30 DEEDHN C[C@@H](N)c1ccn(-c2nc(C#N)c(C#N)nc2-c2ccccc2)n1 ZINC001169231491 785098876 /nfs/dbraw/zinc/09/88/76/785098876.db2.gz KLYCZOZZHGXEAZ-LLVKDONJSA-N 0 3 315.340 2.092 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001008252071 785151297 /nfs/dbraw/zinc/15/12/97/785151297.db2.gz PAYJOQWURZNZNA-ZBFHGGJFSA-N 0 3 312.413 2.400 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008339676 785177546 /nfs/dbraw/zinc/17/75/46/785177546.db2.gz LDRKUTGAHYLLOO-MRXNPFEDSA-N 0 3 309.413 2.396 20 30 DEEDHN C=CCOc1ccccc1CN[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001333723357 1150083581 /nfs/dbraw/zinc/08/35/81/1150083581.db2.gz GMRITQROJFHXGV-DZGCQCFKSA-N 0 3 309.431 2.164 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001008873216 785321519 /nfs/dbraw/zinc/32/15/19/785321519.db2.gz AJKIHTLGCJCQJR-NVXWUHKLSA-N 0 3 312.413 2.157 20 30 DEEDHN Cc1nc(CNCCCC[C@H](C)NC(=O)[C@H](C)C#N)cs1 ZINC001169830462 785374439 /nfs/dbraw/zinc/37/44/39/785374439.db2.gz AFBFFABPDIMWBO-NEPJUHHUSA-N 0 3 308.451 2.376 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001009125653 785390725 /nfs/dbraw/zinc/39/07/25/785390725.db2.gz XBHJCIBBVHDEMH-INIZCTEOSA-N 0 3 302.422 2.063 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001009169502 785402261 /nfs/dbraw/zinc/40/22/61/785402261.db2.gz PGCOJTMDYSVEME-QZTJIDSGSA-N 0 3 319.493 2.245 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC[C@H](C)F)C2)cn1 ZINC001009276690 785422177 /nfs/dbraw/zinc/42/21/77/785422177.db2.gz PGJIQHKCOWVIKV-BBRMVZONSA-N 0 3 303.381 2.005 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](CCC)OC)C[C@@H](C)O2 ZINC001111547141 785472088 /nfs/dbraw/zinc/47/20/88/785472088.db2.gz JGTOSSOGPVBDTB-HZPDHXFCSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001091395436 791132867 /nfs/dbraw/zinc/13/28/67/791132867.db2.gz NEDPHFGUEJKMDO-RUXDESIVSA-N 0 3 312.841 2.040 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001109209566 785756775 /nfs/dbraw/zinc/75/67/75/785756775.db2.gz QLRZAYMXNXADBS-PVAVHDDUSA-N 0 3 304.434 2.081 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)=C1CCC1)C2 ZINC001109239414 785776506 /nfs/dbraw/zinc/77/65/06/785776506.db2.gz BSQPGTXPVHLEEH-IKGGRYGDSA-N 0 3 304.434 2.411 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1cnn(C)c1)C2 ZINC001109553059 785929748 /nfs/dbraw/zinc/92/97/48/785929748.db2.gz AYRNKHGBAIRDRZ-ORQFMDKSSA-N 0 3 316.449 2.211 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCOCC1)C2 ZINC001109800788 786065610 /nfs/dbraw/zinc/06/56/10/786065610.db2.gz RJRLGLKCMZGCJO-IKGGRYGDSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)CCCCC1 ZINC001109830362 786079144 /nfs/dbraw/zinc/07/91/44/786079144.db2.gz WTOWGMNBZZGTDQ-PMPSAXMXSA-N 0 3 306.450 2.227 20 30 DEEDHN CCCCCCCN1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001112965932 786333323 /nfs/dbraw/zinc/33/33/23/786333323.db2.gz PRKGRZSCIRYAQG-KRWDZBQOSA-N 0 3 309.498 2.441 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC001113179652 786435742 /nfs/dbraw/zinc/43/57/42/786435742.db2.gz FAKGFMWYYBQUAF-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001014642072 786673820 /nfs/dbraw/zinc/67/38/20/786673820.db2.gz BKWAZFUBDFWIHW-SNVBAGLBSA-N 0 3 314.216 2.159 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001015273496 786970991 /nfs/dbraw/zinc/97/09/91/786970991.db2.gz XNXHOAXESSOVOQ-GDBMZVCRSA-N 0 3 318.392 2.143 20 30 DEEDHN COC(=O)c1c[n-]c2nc(NCC#Cc3ccccc3)[nH+]cc12 ZINC001170424167 787010881 /nfs/dbraw/zinc/01/08/81/787010881.db2.gz SGLKALNSOQVRCE-UHFFFAOYSA-N 0 3 306.325 2.160 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC001114066989 787073899 /nfs/dbraw/zinc/07/38/99/787073899.db2.gz LGKNMPGYSOYMKO-BSLXNSKLSA-N 0 3 319.355 2.330 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3Cl)C[C@H]21 ZINC001114067902 787075046 /nfs/dbraw/zinc/07/50/46/787075046.db2.gz YKMQYCMGNGYEJU-UYHMYPTGSA-N 0 3 317.820 2.089 20 30 DEEDHN Cc1nc(C(=O)NCCNCc2ccc(C#N)cc2)c(C)s1 ZINC001130139711 787296554 /nfs/dbraw/zinc/29/65/54/787296554.db2.gz LLMZCOOZSUPOIN-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=CCCCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC=C)C1 ZINC001130416118 787384317 /nfs/dbraw/zinc/38/43/17/787384317.db2.gz XPJFYBOOEFAGTK-AWEZNQCLSA-N 0 3 302.422 2.358 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC2CC(F)(F)C2)cc1 ZINC001130430364 787391283 /nfs/dbraw/zinc/39/12/83/787391283.db2.gz WIWRQAQTSCZHJL-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1CC(NCc2cncc(F)c2)C1 ZINC001100317327 787393692 /nfs/dbraw/zinc/39/36/92/787393692.db2.gz OLLSXWLGHQHELV-UHFFFAOYSA-N 0 3 317.408 2.255 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(C)CC)C[C@H]1c1cn(C)cn1 ZINC001130603085 787442503 /nfs/dbraw/zinc/44/25/03/787442503.db2.gz YESVHVFIIUVIST-GOEBONIOSA-N 0 3 318.465 2.316 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)COC2CCCCC2)cc1 ZINC001130685665 787456242 /nfs/dbraw/zinc/45/62/42/787456242.db2.gz DXKHSQZIGUZHMU-UHFFFAOYSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130703928 787458953 /nfs/dbraw/zinc/45/89/53/787458953.db2.gz BBULLRALNTWAID-HLLBOEOZSA-N 0 3 318.465 2.172 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CC)CCC)C[C@H]1c1cn(C)cn1 ZINC001130703954 787459589 /nfs/dbraw/zinc/45/95/89/787459589.db2.gz BOKSNFWGHPZLDX-HLLBOEOZSA-N 0 3 318.465 2.316 20 30 DEEDHN C=C(C)CN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)CCC)n1 ZINC001130876184 787490474 /nfs/dbraw/zinc/49/04/74/787490474.db2.gz WOGMEHZNYZPJPG-LSDHHAIUSA-N 0 3 320.437 2.287 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccnc(C3CC3)c2)cc1 ZINC001130877460 787490928 /nfs/dbraw/zinc/49/09/28/787490928.db2.gz SBCGUVAMXPAYPR-UHFFFAOYSA-N 0 3 320.396 2.350 20 30 DEEDHN COCC#CCNCCNC(=O)CCc1ccc(C(C)C)cc1 ZINC001131245790 787581028 /nfs/dbraw/zinc/58/10/28/787581028.db2.gz QTQFAJDQACWVRB-UHFFFAOYSA-N 0 3 316.445 2.098 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(C)CC1)C2 ZINC001096234530 787591384 /nfs/dbraw/zinc/59/13/84/787591384.db2.gz TXIRLZBHIHEFPU-IKGGRYGDSA-N 0 3 305.466 2.016 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1C1CC1)C2 ZINC001096271614 787600704 /nfs/dbraw/zinc/60/07/04/787600704.db2.gz ABDXNXOJMLBGDD-SNPRPXQTSA-N 0 3 301.390 2.463 20 30 DEEDHN C[C@H](Nc1ccc2cc(C#N)c(C#N)cc2c1)[C@@H]1CNCCO1 ZINC001170568711 787648047 /nfs/dbraw/zinc/64/80/47/787648047.db2.gz HDQRQLDUKNJSGW-SGTLLEGYSA-N 0 3 306.369 2.372 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C)cc1)C2 ZINC001096428199 787664173 /nfs/dbraw/zinc/66/41/73/787664173.db2.gz VRLSFKAGDZKDAS-SQNIBIBYSA-N 0 3 311.429 2.111 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC(=C)C)C2)C1 ZINC001131650479 787672105 /nfs/dbraw/zinc/67/21/05/787672105.db2.gz VCJNVOWPZYGNRK-PKOBYXMFSA-N 0 3 318.461 2.448 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCC#CC)C[C@@H](C)O2 ZINC001131677240 787688617 /nfs/dbraw/zinc/68/86/17/787688617.db2.gz JUOLBWDJXOHYGI-MJGOQNOKSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3n(c1)CCCC3)C2 ZINC001096689535 787795881 /nfs/dbraw/zinc/79/58/81/787795881.db2.gz TWVHSDIJBGBEGV-SQNIBIBYSA-N 0 3 311.429 2.183 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2(C3CC3)CCC2)ccc1F ZINC001131913645 787799494 /nfs/dbraw/zinc/79/94/94/787799494.db2.gz WGLCZAJTMBCNLJ-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC=C)C1 ZINC001131976772 787848086 /nfs/dbraw/zinc/84/80/86/787848086.db2.gz OFILXROKVFVVKZ-IRXDYDNUSA-N 0 3 306.450 2.352 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001086676533 787909279 /nfs/dbraw/zinc/90/92/79/787909279.db2.gz IFNPQIHHEZKCNZ-WCQYABFASA-N 0 3 306.797 2.127 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132073806 787917071 /nfs/dbraw/zinc/91/70/71/787917071.db2.gz YFEDRULZYYUEMH-HOTGVXAUSA-N 0 3 304.438 2.209 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CC(=C)C)C2)CCOCC1 ZINC001132094944 787925988 /nfs/dbraw/zinc/92/59/88/787925988.db2.gz RDSRWPFNIJYQKU-IRXDYDNUSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCn2nc(C)cc2C)CC[C@H]1C ZINC001132211043 787967109 /nfs/dbraw/zinc/96/71/09/787967109.db2.gz LIXCSRMRRJLKKC-GDBMZVCRSA-N 0 3 304.438 2.045 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3n[nH]cc31)C2 ZINC001097079074 787969957 /nfs/dbraw/zinc/96/99/57/787969957.db2.gz HJPZJMJQKNHKSG-KFZJALRRSA-N 0 3 314.433 2.127 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccnc(C)n2)CC[C@@H]1C ZINC001132199450 787970327 /nfs/dbraw/zinc/97/03/27/787970327.db2.gz IMXQVBOZJBQYLI-YOEHRIQHSA-N 0 3 316.449 2.263 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132228647 787982050 /nfs/dbraw/zinc/98/20/50/787982050.db2.gz USFFVXIEQCOMNL-DLBZAZTESA-N 0 3 316.449 2.046 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCc2ccnn2C)C1 ZINC001132227977 787982705 /nfs/dbraw/zinc/98/27/05/787982705.db2.gz KBDLFORMALSCJD-HUUCEWRRSA-N 0 3 318.465 2.144 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001132308739 788019984 /nfs/dbraw/zinc/01/99/84/788019984.db2.gz RCMKWWAFGQCIRD-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCC(=O)N(CC)CC)CC[C@H]1C ZINC001132353415 788035792 /nfs/dbraw/zinc/03/57/92/788035792.db2.gz GDDJKAZYOCJXIL-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCCCCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132398845 788056462 /nfs/dbraw/zinc/05/64/62/788056462.db2.gz RCJZHMCNJSCZCD-UHFFFAOYSA-N 0 3 315.392 2.487 20 30 DEEDHN C#CCCCCCC(=O)NCCNCc1ccc2nonc2c1 ZINC001132404269 788060010 /nfs/dbraw/zinc/06/00/10/788060010.db2.gz YLSBKGHMNAASMJ-UHFFFAOYSA-N 0 3 314.389 2.012 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(C)CCC)CC[C@H]1C ZINC001132436523 788073341 /nfs/dbraw/zinc/07/33/41/788073341.db2.gz LPSAYORMVMAJKR-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2cccc(C)c2)CC[C@@H]1C ZINC001132487340 788092842 /nfs/dbraw/zinc/09/28/42/788092842.db2.gz UMDKNCXLJCNAIO-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=C/C(C)=C/CC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132515349 788111981 /nfs/dbraw/zinc/11/19/81/788111981.db2.gz FYZZXAUQHAHGLS-YIXHJXPBSA-N 0 3 301.365 2.426 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132569542 788133140 /nfs/dbraw/zinc/13/31/40/788133140.db2.gz UGXPSIMOGNLBNB-KBPBESRZSA-N 0 3 315.417 2.231 20 30 DEEDHN CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132658693 788154633 /nfs/dbraw/zinc/15/46/33/788154633.db2.gz JTJLLARQBSDKMY-GJZGRUSLSA-N 0 3 300.402 2.103 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132660361 788157591 /nfs/dbraw/zinc/15/75/91/788157591.db2.gz LTHOJAAHCKQVOH-CQSZACIVSA-N 0 3 306.454 2.446 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCC(=O)N1CCCCCCC1 ZINC001132663248 788158656 /nfs/dbraw/zinc/15/86/56/788158656.db2.gz SPMPBNPYGFOUGK-INIZCTEOSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001132663257 788158685 /nfs/dbraw/zinc/15/86/85/788158685.db2.gz SQGXUSYCKTVGPC-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001132667151 788160086 /nfs/dbraw/zinc/16/00/86/788160086.db2.gz FIIVZAVQGCTEML-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001132698362 788172057 /nfs/dbraw/zinc/17/20/57/788172057.db2.gz XZAFIZIOVBGRGU-GOEBONIOSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ncccc1F)C2 ZINC001097720215 788197032 /nfs/dbraw/zinc/19/70/32/788197032.db2.gz FVNPWIOEJQKBPG-WQVCFCJDSA-N 0 3 303.381 2.061 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](C)[C@@H](CNCc2cscn2)C1 ZINC001132813986 788200257 /nfs/dbraw/zinc/20/02/57/788200257.db2.gz SYYOSMSUGANUEB-GJZGRUSLSA-N 0 3 319.474 2.377 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc[nH]c2C2CC2)c1 ZINC001132968322 788239177 /nfs/dbraw/zinc/23/91/77/788239177.db2.gz DECJILOFULVOPK-UHFFFAOYSA-N 0 3 308.385 2.283 20 30 DEEDHN C=CCCCC(=O)NCCN[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC001133142827 788294981 /nfs/dbraw/zinc/29/49/81/788294981.db2.gz JZTLQOHYYSMNDX-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC001133154591 788297160 /nfs/dbraw/zinc/29/71/60/788297160.db2.gz LNVDPHAXCNPTEI-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)NCCC1=CCCCC1 ZINC001133145196 788300049 /nfs/dbraw/zinc/30/00/49/788300049.db2.gz TWEFOWVYHWOVEF-UHFFFAOYSA-N 0 3 321.465 2.055 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N[C@H](C)CCCCC ZINC001133145097 788300273 /nfs/dbraw/zinc/30/02/73/788300273.db2.gz PCCNLRQBOOUAGK-OAHLLOKOSA-N 0 3 311.470 2.134 20 30 DEEDHN CC(C)[C@@H](C(=O)NC[C@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001097971064 788301120 /nfs/dbraw/zinc/30/11/20/788301120.db2.gz DGNQSUBAWKDLNN-LRDDRELGSA-N 0 3 320.412 2.200 20 30 DEEDHN C=C1CCC(C(=O)NCCNCc2ccc3nonc3c2)CC1 ZINC001133365248 788386858 /nfs/dbraw/zinc/38/68/58/788386858.db2.gz JIGHIQDHIORSCX-UHFFFAOYSA-N 0 3 314.389 2.175 20 30 DEEDHN C=CCCCC(=O)N(C)CCCN(C)C(=O)CN1CCC[C@H]1C ZINC001068049785 788523981 /nfs/dbraw/zinc/52/39/81/788523981.db2.gz 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788764825 /nfs/dbraw/zinc/76/48/25/788764825.db2.gz MLZXGSBBMBXOPG-HOTGVXAUSA-N 0 3 318.465 2.470 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1snnc1C ZINC001134118428 788770083 /nfs/dbraw/zinc/77/00/83/788770083.db2.gz BTSRZWSLDHOTQP-QWHCGFSZSA-N 0 3 322.478 2.413 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(Cl)n1C ZINC001134201617 788811125 /nfs/dbraw/zinc/81/11/25/788811125.db2.gz RGLJMOORGLNEFR-OLZOCXBDSA-N 0 3 324.856 2.250 20 30 DEEDHN COc1nscc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134319281 788863831 /nfs/dbraw/zinc/86/38/31/788863831.db2.gz YRZYWHIKONPPRL-QWHCGFSZSA-N 0 3 323.462 2.184 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001134318995 788865181 /nfs/dbraw/zinc/86/51/81/788865181.db2.gz WRZQIDYRFMIXLT-HOTGVXAUSA-N 0 3 318.465 2.496 20 30 DEEDHN Cc1cc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)on1 ZINC001134329850 788876155 /nfs/dbraw/zinc/87/61/55/788876155.db2.gz SQBBEZHSWGCMSD-OLZOCXBDSA-N 0 3 305.422 2.405 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134410391 788917622 /nfs/dbraw/zinc/91/76/22/788917622.db2.gz OMPXITGMDXBSEX-UHFFFAOYSA-N 0 3 305.378 2.403 20 30 DEEDHN C#CCCCCCC(=O)N[C@H](C)C[C@H](C)NCc1nccn1C ZINC001135189407 789229471 /nfs/dbraw/zinc/22/94/71/789229471.db2.gz ZFIZJEYZHCSCBA-JKSUJKDBSA-N 0 3 318.465 2.377 20 30 DEEDHN C#CCCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001135189410 789229514 /nfs/dbraw/zinc/22/95/14/789229514.db2.gz ZFJYBFCRTWCTEB-HZPDHXFCSA-N 0 3 318.465 2.377 20 30 DEEDHN C[C@@H](Cc1ccco1)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135183169 789235864 /nfs/dbraw/zinc/23/58/64/789235864.db2.gz KLTAAUSPJXLNGK-AWEZNQCLSA-N 0 3 311.385 2.236 20 30 DEEDHN C=CC1(CC(=O)NCCN[C@H](C)C(=O)NCCC)CCCCC1 ZINC001135196715 789241374 /nfs/dbraw/zinc/24/13/74/789241374.db2.gz FVOZOPPJFGIQAU-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)cn1 ZINC001135234969 789252767 /nfs/dbraw/zinc/25/27/67/789252767.db2.gz FEXCGCCWHFKLCF-CHWSQXEVSA-N 0 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C=C(C)CN1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)CC[C@@H]1C ZINC001071994528 790003640 /nfs/dbraw/zinc/00/36/40/790003640.db2.gz FXBPZHQEYPSOES-KBPBESRZSA-N 0 3 304.438 2.233 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nn(C)c3ccccc32)CC[C@@H]1C ZINC001072007110 790009128 /nfs/dbraw/zinc/00/91/28/790009128.db2.gz YJWBQNUTNZMNBQ-LSDHHAIUSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)CC[C@@H]1C ZINC001072096016 790051236 /nfs/dbraw/zinc/05/12/36/790051236.db2.gz SALMJGKAFIPODR-GJZGRUSLSA-N 0 3 324.428 2.098 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001072354012 790123018 /nfs/dbraw/zinc/12/30/18/790123018.db2.gz CVSIQDZLZFGKBN-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC(C)C)nc3)C2)C1 ZINC001072799196 790249443 /nfs/dbraw/zinc/24/94/43/790249443.db2.gz GDBAKZOOXWRKKM-UHFFFAOYSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn(C(C)(C)C)c3C)C2)C1 ZINC001072799238 790249679 /nfs/dbraw/zinc/24/96/79/790249679.db2.gz GXZNZIFNHKHBFZ-UHFFFAOYSA-N 0 3 316.449 2.280 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cscc3C)C[C@]2(C)C1 ZINC001091576979 791315018 /nfs/dbraw/zinc/31/50/18/791315018.db2.gz WMMBIRLLEYTDSS-PBHICJAKSA-N 0 3 302.443 2.474 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001075032342 791437720 /nfs/dbraw/zinc/43/77/20/791437720.db2.gz PKTHJKVVSJBWJU-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001075091132 791456239 /nfs/dbraw/zinc/45/62/39/791456239.db2.gz PTBHZYIKWCUYGT-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001171311110 791567648 /nfs/dbraw/zinc/56/76/48/791567648.db2.gz MVHDLTRIIWLRKS-OAHLLOKOSA-N 0 3 308.809 2.147 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001147652193 791590811 /nfs/dbraw/zinc/59/08/11/791590811.db2.gz DGSSSYDBBRXTLB-UHFFFAOYSA-N 0 3 316.449 2.020 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nn(C)c3ccccc31)C2 ZINC001098249379 791595736 /nfs/dbraw/zinc/59/57/36/791595736.db2.gz IQMGRVXLAVGBBL-UNEWFSDZSA-N 0 3 324.428 2.485 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(COC)cc1)C2 ZINC001098372506 791615518 /nfs/dbraw/zinc/61/55/18/791615518.db2.gz OXGBOLORDUQYKJ-KURKYZTESA-N 0 3 312.413 2.191 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001148096238 791679687 /nfs/dbraw/zinc/67/96/87/791679687.db2.gz YGWZVHLMLGWLCN-HZPDHXFCSA-N 0 3 320.477 2.406 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)cn2)s1 ZINC001148519024 791757091 /nfs/dbraw/zinc/75/70/91/791757091.db2.gz OMRWQYROJQSPMS-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)COc3ccccc3)C2)C1 ZINC001148763370 791802624 /nfs/dbraw/zinc/80/26/24/791802624.db2.gz YWNSRQDTBGHTHK-INIZCTEOSA-N 0 3 314.429 2.422 20 30 DEEDHN COc1ccc(CC(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001148890659 791813799 /nfs/dbraw/zinc/81/37/99/791813799.db2.gz NQQQYCCXEYVAHH-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN C=CCCOCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001148893710 791815070 /nfs/dbraw/zinc/81/50/70/791815070.db2.gz SQXKDFAZKHCTLB-UHFFFAOYSA-N 0 3 320.355 2.066 20 30 DEEDHN CN(C)c1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001148966383 791824428 /nfs/dbraw/zinc/82/44/28/791824428.db2.gz JMIWPCJBVCGRPH-UHFFFAOYSA-N 0 3 322.412 2.144 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001086869143 791836252 /nfs/dbraw/zinc/83/62/52/791836252.db2.gz SEZVWKVMFQWVGB-WCQYABFASA-N 0 3 309.797 2.028 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCCO3)C2)CC1 ZINC001086907054 791845310 /nfs/dbraw/zinc/84/53/10/791845310.db2.gz LYDRTBLIHAREPS-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCOCC3)C2)CC1 ZINC001086919628 791851520 /nfs/dbraw/zinc/85/15/20/791851520.db2.gz UPHSJHQNYLQQLT-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H]1C[C@H](C)CCN1C(C)=O ZINC001087105691 791876778 /nfs/dbraw/zinc/87/67/78/791876778.db2.gz 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ZINC001092295701 791981646 /nfs/dbraw/zinc/98/16/46/791981646.db2.gz BFPFDBHHHNXDGY-APWZRJJASA-N 0 3 311.429 2.116 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001098917994 791983016 /nfs/dbraw/zinc/98/30/16/791983016.db2.gz QUJBFKKOXKSHJJ-UGSOOPFHSA-N 0 3 314.433 2.059 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001098928691 791987325 /nfs/dbraw/zinc/98/73/25/791987325.db2.gz ORPOAJVNSZIODX-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2(C)CCCCC2)[C@H](O)C1 ZINC001099913347 792048868 /nfs/dbraw/zinc/04/88/68/792048868.db2.gz GHABAANEQQRNNN-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cocn1 ZINC001092502121 792051096 /nfs/dbraw/zinc/05/10/96/792051096.db2.gz ZYMYGPIGARRRCL-NVXWUHKLSA-N 0 3 323.396 2.024 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001099045012 792056641 /nfs/dbraw/zinc/05/66/41/792056641.db2.gz ARPHCFFWQJFSHL-GUYCJALGSA-N 0 3 300.406 2.057 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001099045339 792057929 /nfs/dbraw/zinc/05/79/29/792057929.db2.gz PNXAFPUJOYJKNT-PXNSSMCTSA-N 0 3 324.424 2.229 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3nccn3c2)C1 ZINC001099112304 792099629 /nfs/dbraw/zinc/09/96/29/792099629.db2.gz JVMPBKFNWGQFTM-YJBOKZPZSA-N 0 3 310.401 2.105 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ncoc2-c2ccccc2)[C@H](C)C1 ZINC001092654214 792103666 /nfs/dbraw/zinc/10/36/66/792103666.db2.gz MVFZLDAKBQSJRC-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(COC)CC1 ZINC001099139950 792112312 /nfs/dbraw/zinc/11/23/12/792112312.db2.gz LVKJQJRESYEUMJ-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccccc2Cl)C1 ZINC001099149969 792117152 /nfs/dbraw/zinc/11/71/52/792117152.db2.gz NZZMCHOEINZZLH-YJBOKZPZSA-N 0 3 316.832 2.486 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001099166409 792123949 /nfs/dbraw/zinc/12/39/49/792123949.db2.gz VSKYGLKWYJACEB-JYJNAYRXSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001099182032 792127697 /nfs/dbraw/zinc/12/76/97/792127697.db2.gz WOHJVKPGSKYZHD-RYRKJORJSA-N 0 3 316.449 2.218 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(-c3ccco3)o2)[C@H](C)C1 ZINC001092812271 792138667 /nfs/dbraw/zinc/13/86/67/792138667.db2.gz NCRKHWXVNJDEAO-ZIAGYGMSSA-N 0 3 312.369 2.471 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1C(F)(F)F ZINC001099206533 792138653 /nfs/dbraw/zinc/13/86/53/792138653.db2.gz YOFYWUMLDTVPQQ-GHMZBOCLSA-N 0 3 302.296 2.367 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncn1C ZINC001099325414 792170805 /nfs/dbraw/zinc/17/08/05/792170805.db2.gz UKPLBYZLRZJXDR-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2oc(C(C)C)nc2C)[C@H](C)C1 ZINC001093036264 792217024 /nfs/dbraw/zinc/21/70/24/792217024.db2.gz MRUGCKYITICOLW-TZMCWYRMSA-N 0 3 303.406 2.037 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C[C@@H]1O ZINC001099728589 792332062 /nfs/dbraw/zinc/33/20/62/792332062.db2.gz XTMYTBWLHUXQJR-MSOLQXFVSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C)C[C@H]1O ZINC001099943923 792413484 /nfs/dbraw/zinc/41/34/84/792413484.db2.gz HHHROEBXYKDWQN-IAGOWNOFSA-N 0 3 316.445 2.259 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100085893 792466789 /nfs/dbraw/zinc/46/67/89/792466789.db2.gz SOHKKFFJRWBMMY-DLBZAZTESA-N 0 3 308.466 2.312 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001100096661 792471846 /nfs/dbraw/zinc/47/18/46/792471846.db2.gz KZZFVYIROMSMBN-IRXDYDNUSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2cccc(OCC)n2)C1 ZINC001100170184 792498695 /nfs/dbraw/zinc/49/86/95/792498695.db2.gz BCDODGFUIAXECO-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN CCc1noc(C)c1CNC1CC(CNC(=O)C#CC(C)C)C1 ZINC001100309319 792582675 /nfs/dbraw/zinc/58/26/75/792582675.db2.gz PBZJFNQSOKFAEH-UHFFFAOYSA-N 0 3 317.433 2.189 20 30 DEEDHN O=C(C#CC1CC1)NCC1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001100313522 792585197 /nfs/dbraw/zinc/58/51/97/792585197.db2.gz AVYOBTIEJHYMLZ-UHFFFAOYSA-N 0 3 324.399 2.075 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100644860 792764497 /nfs/dbraw/zinc/76/44/97/792764497.db2.gz KQRXXMVKGJYDHA-JMLCCBQJSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2cncs2)C1 ZINC001100681462 792785413 /nfs/dbraw/zinc/78/54/13/792785413.db2.gz KJNCJJSGVANWLW-UHFFFAOYSA-N 0 3 313.854 2.313 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3ncccc3F)CCC[C@@H]12 ZINC001094545925 792975911 /nfs/dbraw/zinc/97/59/11/792975911.db2.gz HJTPRFIRUMDJIK-CRAIPNDOSA-N 0 3 315.392 2.218 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3sc(C)nc3C)CCC[C@@H]12 ZINC001094574764 792988756 /nfs/dbraw/zinc/98/87/56/792988756.db2.gz BWCKTSCNVYWFQC-RHSMWYFYSA-N 0 3 317.458 2.368 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)OCCCCCC)C[C@]2(C)C1 ZINC001101233364 793079115 /nfs/dbraw/zinc/07/91/15/793079115.db2.gz IIONVJQABRTPSC-SCTDSRPQSA-N 0 3 320.477 2.385 20 30 DEEDHN CCC(=O)NC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001101659234 793298878 /nfs/dbraw/zinc/29/88/78/793298878.db2.gz DIPGLTWNZFNLAX-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCN1CCC[C@@H](N[C@@H]2CSc3ccccc3C2)C1=O ZINC001172201164 793378303 /nfs/dbraw/zinc/37/83/03/793378303.db2.gz MVQOGNNXIGGJJC-LSDHHAIUSA-N 0 3 302.443 2.470 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H]1c2ccccc2CNC1=O ZINC001172301357 793393821 /nfs/dbraw/zinc/39/38/21/793393821.db2.gz NEPFJAUNOSWBIG-FZKQIMNGSA-N 0 3 305.381 2.450 20 30 DEEDHN C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001172852425 793519211 /nfs/dbraw/zinc/51/92/11/793519211.db2.gz RDYKQHZMKODPBL-RVBZMBCESA-N 0 3 300.761 2.236 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102435578 793614493 /nfs/dbraw/zinc/61/44/93/793614493.db2.gz AJOIJYVGJLSLFL-BRWVUGGUSA-N 0 3 322.493 2.393 20 30 DEEDHN COc1ccnc(N2CCN(C3CCC(CC#N)CC3)CC2)n1 ZINC001173337360 793682053 /nfs/dbraw/zinc/68/20/53/793682053.db2.gz JLKKIGMOZGSRDP-UHFFFAOYSA-N 0 3 315.421 2.080 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001102920120 793823567 /nfs/dbraw/zinc/82/35/67/793823567.db2.gz SBTAEXGOFRAGTH-XNRPHZJLSA-N 0 3 314.857 2.140 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001174650132 794041901 /nfs/dbraw/zinc/04/19/01/794041901.db2.gz NQPAJDYOHFBTDH-CQSZACIVSA-N 0 3 321.469 2.182 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnc(C)n2C)C1 ZINC001103367853 794061449 /nfs/dbraw/zinc/06/14/49/794061449.db2.gz HIFKBYPLLHFHEN-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(=O)c2ccccc2o1 ZINC001175077587 794135019 /nfs/dbraw/zinc/13/50/19/794135019.db2.gz FRDBODDKDGFXAJ-UHFFFAOYSA-N 0 3 320.776 2.255 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001175080918 794136471 /nfs/dbraw/zinc/13/64/71/794136471.db2.gz BEMSNFMGIBHCKG-CXAGYDPISA-N 0 3 321.469 2.480 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC001175829443 794290459 /nfs/dbraw/zinc/29/04/59/794290459.db2.gz HFAXGIAYCZIIOI-WFASDCNBSA-N 0 3 324.808 2.063 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@H]1C ZINC001103908959 794298494 /nfs/dbraw/zinc/29/84/94/794298494.db2.gz ZFQPGLXQQCKEBY-DGCLKSJQSA-N 0 3 324.856 2.412 20 30 DEEDHN C=CCCOCC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001176801421 794514017 /nfs/dbraw/zinc/51/40/17/794514017.db2.gz KYLMRSBFQANULY-CQSZACIVSA-N 0 3 323.437 2.340 20 30 DEEDHN C=CCCOCC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001177264344 794628038 /nfs/dbraw/zinc/62/80/38/794628038.db2.gz CVPQYBXMQXSGAF-UHFFFAOYSA-N 0 3 323.437 2.295 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001115367367 794746095 /nfs/dbraw/zinc/74/60/95/794746095.db2.gz XTULQNFDMDXZOZ-MLHJIOFPSA-N 0 3 314.429 2.385 20 30 DEEDHN O=C(C#Cc1cccnc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001177781192 794751044 /nfs/dbraw/zinc/75/10/44/794751044.db2.gz LIOXLKQJCAAREG-IBGZPJMESA-N 0 3 319.408 2.386 20 30 DEEDHN COC(=O)c1onc(C)c1NC(=O)C(C#N)Cc1cccs1 ZINC001177904578 794772258 /nfs/dbraw/zinc/77/22/58/794772258.db2.gz QDHGJTCEZWMXTK-VIFPVBQESA-N 0 3 319.342 2.152 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](CC)CCCC)[C@H]1C ZINC001178160956 794845670 /nfs/dbraw/zinc/84/56/70/794845670.db2.gz UNJXOMCRVJDDGV-JYJNAYRXSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)C#CC1CC1 ZINC001178649178 794964719 /nfs/dbraw/zinc/96/47/19/794964719.db2.gz YSEPTXPZZXYBEQ-JQWIXIFHSA-N 0 3 301.217 2.298 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179306919 795089646 /nfs/dbraw/zinc/08/96/46/795089646.db2.gz NABGEUVDZUBVML-HUUCEWRRSA-N 0 3 321.469 2.040 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179335817 795100849 /nfs/dbraw/zinc/10/08/49/795100849.db2.gz RKVCTYUTFSEIIM-OAHLLOKOSA-N 0 3 321.469 2.184 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(Sc2ccccc2)CC1 ZINC001117734770 795100876 /nfs/dbraw/zinc/10/08/76/795100876.db2.gz HQFGDGGPDMBWOU-UHFFFAOYSA-N 0 3 302.443 2.383 20 30 DEEDHN C=C(CC)CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001118096671 795152435 /nfs/dbraw/zinc/15/24/35/795152435.db2.gz AQKZNWYBXFQIHB-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC001119685713 795339303 /nfs/dbraw/zinc/33/93/03/795339303.db2.gz RPTGYIPZORWJHY-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(=O)CCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001180967077 795397908 /nfs/dbraw/zinc/39/79/08/795397908.db2.gz FNRNSPYFTFUNPS-CYBMUJFWSA-N 0 3 319.430 2.070 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC(C)=O)C1 ZINC001120307956 795438612 /nfs/dbraw/zinc/43/86/12/795438612.db2.gz CYRZJOXITOFRKE-DLBZAZTESA-N 0 3 304.434 2.082 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cn(C)nc2C(F)F)C1 ZINC001181516689 795496460 /nfs/dbraw/zinc/49/64/60/795496460.db2.gz CCAFQLGYPKGEIZ-GFCCVEGCSA-N 0 3 312.364 2.014 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001181598363 795501724 /nfs/dbraw/zinc/50/17/24/795501724.db2.gz DYEXMJUHWRDAFE-UONOGXRCSA-N 0 3 306.381 2.280 20 30 DEEDHN COC(=O)C[C@@H](C)N(OC)C(=O)C(C#N)CCc1ccccc1 ZINC001120851466 795543071 /nfs/dbraw/zinc/54/30/71/795543071.db2.gz HUKNYMYAKPYOOA-UKRRQHHQSA-N 0 3 318.373 2.101 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](OC)C1CC1)C2 ZINC001121039465 795580927 /nfs/dbraw/zinc/58/09/27/795580927.db2.gz IFQZGIYVWFCXNG-SWAPUOLTSA-N 0 3 312.841 2.181 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)ccc1OCCOC ZINC001121859435 795696460 /nfs/dbraw/zinc/69/64/60/795696460.db2.gz QEALUYWZEQWMMT-ZDUSSCGKSA-N 0 3 310.369 2.473 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001182562525 795706764 /nfs/dbraw/zinc/70/67/64/795706764.db2.gz UZGPAKMSZITMSX-RBSFLKMASA-N 0 3 302.443 2.374 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001122187814 795734189 /nfs/dbraw/zinc/73/41/89/795734189.db2.gz LGIDQDAIASVAAN-OAHLLOKOSA-N 0 3 303.381 2.385 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC001182926729 795785187 /nfs/dbraw/zinc/78/51/87/795785187.db2.gz DYULUCGPUCMBRJ-MRXNPFEDSA-N 0 3 310.397 2.498 20 30 DEEDHN Cc1nn(C)c2ncc(C(=O)C(C#N)c3cccc(F)n3)cc12 ZINC001122712201 795796669 /nfs/dbraw/zinc/79/66/69/795796669.db2.gz JHINJXOCJWIGIV-GFCCVEGCSA-N 0 3 309.304 2.301 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001184210760 796012243 /nfs/dbraw/zinc/01/22/43/796012243.db2.gz AZCWRYJEFCKFQY-OAHLLOKOSA-N 0 3 306.356 2.381 20 30 DEEDHN C/C(=C/C(=O)NCCNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001124217140 796045879 /nfs/dbraw/zinc/04/58/79/796045879.db2.gz LTQYNLDYENRYPY-WQLSENKSSA-N 0 3 301.365 2.259 20 30 DEEDHN CC/C=C(\C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001124345648 796058973 /nfs/dbraw/zinc/05/89/73/796058973.db2.gz ZQOXJHDZRAZWHX-WLRTZDKTSA-N 0 3 301.390 2.129 20 30 DEEDHN C=CCCC(=O)NCCNCC(=O)N[C@H](C)CCCCCC ZINC001124646664 796079480 /nfs/dbraw/zinc/07/94/80/796079480.db2.gz XRVKZLFRFVNVJP-OAHLLOKOSA-N 0 3 311.470 2.134 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)CC1=CCCCC1 ZINC001124810686 796090646 /nfs/dbraw/zinc/09/06/46/796090646.db2.gz ZYSJPTSUOQNYLI-UHFFFAOYSA-N 0 3 321.465 2.007 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001184858214 796142332 /nfs/dbraw/zinc/14/23/32/796142332.db2.gz GVKSBPAOLJHVDY-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001185051125 796169997 /nfs/dbraw/zinc/16/99/97/796169997.db2.gz YQXPVILTGKHRGG-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2ccn(C)n2)[C@@H](C)C1 ZINC001185063294 796172756 /nfs/dbraw/zinc/17/27/56/796172756.db2.gz YWWYGYCVUOOVNQ-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](C)[C@](C)(O)C2)cc1OC ZINC001138342705 796200514 /nfs/dbraw/zinc/20/05/14/796200514.db2.gz BEERTYCSVYNVPV-RDTXWAMCSA-N 0 3 303.402 2.300 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001185423966 796253556 /nfs/dbraw/zinc/25/35/56/796253556.db2.gz DXVWRHBEJMORGD-QAPCUYQASA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)COc1ccccc1CN1CC[C@](C)(CO)[C@H](O)C1 ZINC001138662117 796254409 /nfs/dbraw/zinc/25/44/09/796254409.db2.gz OUUVTUXRGRTVGC-QZTJIDSGSA-N 0 3 305.418 2.207 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001185933452 796341043 /nfs/dbraw/zinc/34/10/43/796341043.db2.gz YNTSJCDNLIQBSF-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001185969445 796345744 /nfs/dbraw/zinc/34/57/44/796345744.db2.gz ZWFRFMILKIUQNB-OAHLLOKOSA-N 0 3 304.438 2.021 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)Oc2ccccc2C)C1 ZINC001185977253 796346694 /nfs/dbraw/zinc/34/66/94/796346694.db2.gz ORQBSHUQJGEEBN-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC001186259391 796381400 /nfs/dbraw/zinc/38/14/00/796381400.db2.gz KSVGLDYYXYYKAA-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)Cc3ccsc3)[C@@H]2C1 ZINC001186697759 796433005 /nfs/dbraw/zinc/43/30/05/796433005.db2.gz NXMQVVJGACWPKG-JKSUJKDBSA-N 0 3 320.458 2.026 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)cc1NC(C)=O ZINC001139866097 796438347 /nfs/dbraw/zinc/43/83/47/796438347.db2.gz YSPJHZCWBLBESE-UHFFFAOYSA-N 0 3 321.396 2.364 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC001139865520 796438548 /nfs/dbraw/zinc/43/85/48/796438548.db2.gz JSKCZMSYNQLCTJ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc(C)nc1C1CC1 ZINC001139869649 796439324 /nfs/dbraw/zinc/43/93/24/796439324.db2.gz OPZOOYCWHSBFSN-UHFFFAOYSA-N 0 3 302.422 2.242 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001187320196 796522991 /nfs/dbraw/zinc/52/29/91/796522991.db2.gz NEAFUQCMQWJYDL-FRRDWIJNSA-N 0 3 317.355 2.411 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOc2ccccc2)C1 ZINC001187609186 796556125 /nfs/dbraw/zinc/55/61/25/796556125.db2.gz YLWHJLYZPADYDD-MRXNPFEDSA-N 0 3 300.402 2.059 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1 ZINC001187812954 796581563 /nfs/dbraw/zinc/58/15/63/796581563.db2.gz NCOFSNDFLQGIHP-HNNXBMFYSA-N 0 3 317.389 2.245 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1nccnc1C)C2 ZINC001140936521 796601524 /nfs/dbraw/zinc/60/15/24/796601524.db2.gz QUGYZAGZMZUGCH-ZWKOTPCHSA-N 0 3 317.433 2.359 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001188235335 796647408 /nfs/dbraw/zinc/64/74/08/796647408.db2.gz BSCTWEOKNNTGQP-MJGOQNOKSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001188301682 796661257 /nfs/dbraw/zinc/66/12/57/796661257.db2.gz HJEFPIIBJKWBTD-TZMCWYRMSA-N 0 3 324.371 2.246 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(NC(C)=O)c1C ZINC000838624437 796671723 /nfs/dbraw/zinc/67/17/23/796671723.db2.gz YRINRMMALVVCJC-UHFFFAOYSA-N 0 3 316.405 2.030 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2oc(CC)nc2c1 ZINC000838624258 796672068 /nfs/dbraw/zinc/67/20/68/796672068.db2.gz ONWOMLJXMQHSKR-UHFFFAOYSA-N 0 3 314.389 2.467 20 30 DEEDHN CC(C)C[C@@H](C#N)NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142349881 796738262 /nfs/dbraw/zinc/73/82/62/796738262.db2.gz OKWGTKORODUYCL-KRWDZBQOSA-N 0 3 314.433 2.348 20 30 DEEDHN CO[C@H](C)CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189301429 796799471 /nfs/dbraw/zinc/79/94/71/796799471.db2.gz RWYJUVRMGNIPIY-RHSMWYFYSA-N 0 3 315.417 2.016 20 30 DEEDHN CCOCCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189307844 796805229 /nfs/dbraw/zinc/80/52/29/796805229.db2.gz AYBOQCJSZPTSJW-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189369183 796812697 /nfs/dbraw/zinc/81/26/97/796812697.db2.gz AIVWNDMPRJGMPO-INIZCTEOSA-N 0 3 306.381 2.061 20 30 DEEDHN C=CC[C@@H](NC(=O)CCN1CCN(C)CC1)c1ccccc1 ZINC001143238242 796817991 /nfs/dbraw/zinc/81/79/91/796817991.db2.gz IPHBXSRLLKWYKM-QGZVFWFLSA-N 0 3 301.434 2.058 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(CC=C(C)C)CCCO1 ZINC001149356813 796845106 /nfs/dbraw/zinc/84/51/06/796845106.db2.gz UJPYQFWIPTUTPU-IRXDYDNUSA-N 0 3 324.465 2.141 20 30 DEEDHN C[C@H]1CC[C@H](CCC(=O)NCCNCc2cccc(C#N)c2)O1 ZINC001151793992 796864008 /nfs/dbraw/zinc/86/40/08/796864008.db2.gz JEDADGLHCJOCPI-WMLDXEAASA-N 0 3 315.417 2.112 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001149672341 796884134 /nfs/dbraw/zinc/88/41/34/796884134.db2.gz AMXCMJQUZHHPNX-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001149804694 796897767 /nfs/dbraw/zinc/89/77/67/796897767.db2.gz UFWXPUHCBMJDAT-DLBZAZTESA-N 0 3 324.465 2.141 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(C)(C)CC(F)F)C1 ZINC001149835806 796899683 /nfs/dbraw/zinc/89/96/83/796899683.db2.gz QRDPFHWYLYWWQY-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189917026 796902155 /nfs/dbraw/zinc/90/21/55/796902155.db2.gz BQZCIBKPGQOOKS-WMZOPIPTSA-N 0 3 320.408 2.186 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001150159908 796924196 /nfs/dbraw/zinc/92/41/96/796924196.db2.gz SBLXOXJVNZFPDT-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C(CCC)CCC)C1 ZINC001150193888 796926670 /nfs/dbraw/zinc/92/66/70/796926670.db2.gz RBLRDAYQHFXYPP-KRWDZBQOSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001150317714 796934752 /nfs/dbraw/zinc/93/47/52/796934752.db2.gz JKHJZKXMXRYARE-CABCVRRESA-N 0 3 320.458 2.082 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001190115242 796942299 /nfs/dbraw/zinc/94/22/99/796942299.db2.gz YBYANLCIJFCBLQ-INIZCTEOSA-N 0 3 320.458 2.129 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001150561474 796953852 /nfs/dbraw/zinc/95/38/52/796953852.db2.gz BJSQQFWMTRUVDP-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150639367 796964587 /nfs/dbraw/zinc/96/45/87/796964587.db2.gz CFGNNMYXKZCKHQ-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCCn2cccc2)C1 ZINC001150760969 796976219 /nfs/dbraw/zinc/97/62/19/796976219.db2.gz GAKLLUTWKMSKPS-QGZVFWFLSA-N 0 3 319.449 2.052 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cccc(C)n2)CC1 ZINC001150954645 796994886 /nfs/dbraw/zinc/99/48/86/796994886.db2.gz SMIBVPIWDKVDFP-UHFFFAOYSA-N 0 3 317.433 2.177 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCOCC(F)(F)F)C1 ZINC001190434747 797006295 /nfs/dbraw/zinc/00/62/95/797006295.db2.gz ABMHTHSOBSYCFI-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H]2CC2(F)F)CC1 ZINC001151099779 797011366 /nfs/dbraw/zinc/01/13/66/797011366.db2.gz AFRIZZCAEQNYCC-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837701 797089329 /nfs/dbraw/zinc/08/93/29/797089329.db2.gz SQASIPYKFNPOGW-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837701 797089334 /nfs/dbraw/zinc/08/93/34/797089334.db2.gz SQASIPYKFNPOGW-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001190936957 797108017 /nfs/dbraw/zinc/10/80/17/797108017.db2.gz NPLOFEXHWNMUKL-IAGOWNOFSA-N 0 3 320.433 2.418 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001190970139 797117271 /nfs/dbraw/zinc/11/72/71/797117271.db2.gz XJHQMAKXNMEQCX-GVDBMIGSSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC001191207514 797155512 /nfs/dbraw/zinc/15/55/12/797155512.db2.gz PTABMMXPMCLOFX-SFHVURJKSA-N 0 3 316.445 2.273 20 30 DEEDHN CN1CCC[C@](C)(NC(=O)c2ccc(C#CC(C)(C)O)cc2)C1 ZINC001191188112 797161017 /nfs/dbraw/zinc/16/10/17/797161017.db2.gz AJNAQONPZNXPHS-IBGZPJMESA-N 0 3 314.429 2.023 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC001191226489 797165174 /nfs/dbraw/zinc/16/51/74/797165174.db2.gz JUAJAEUQCBKFPU-MRXNPFEDSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(NC(C)=O)c(C)c1 ZINC001191463489 797213189 /nfs/dbraw/zinc/21/31/89/797213189.db2.gz QXQQXRWEWHYYDN-INIZCTEOSA-N 0 3 315.417 2.334 20 30 DEEDHN Cc1nsc(C)c1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001152706492 797225195 /nfs/dbraw/zinc/22/51/95/797225195.db2.gz NMRZAYSCZUDXIN-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccoc1)C2 ZINC001110440238 797248295 /nfs/dbraw/zinc/24/82/95/797248295.db2.gz IUGUOFDNAXRRIS-ZACQAIPSSA-N 0 3 318.417 2.136 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)CCn1cc(Cl)cn1 ZINC001153025060 797270892 /nfs/dbraw/zinc/27/08/92/797270892.db2.gz NDSJAXMOIDBBAH-CQSZACIVSA-N 0 3 324.856 2.167 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC001191989305 797295289 /nfs/dbraw/zinc/29/52/89/797295289.db2.gz SOSDYSPHDZFFSW-HNNXBMFYSA-N 0 3 317.433 2.241 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1cc(C)ccc1F ZINC001153367761 797330209 /nfs/dbraw/zinc/33/02/09/797330209.db2.gz FEAGLHJUTWBCGV-OAHLLOKOSA-N 0 3 320.408 2.363 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(CCOCC)CCC1 ZINC001153393149 797332684 /nfs/dbraw/zinc/33/26/84/797332684.db2.gz NANBSDDRPXPVIN-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccnn2C)c1 ZINC001192310030 797358454 /nfs/dbraw/zinc/35/84/54/797358454.db2.gz IGUCNAUMBYKUGJ-KRWDZBQOSA-N 0 3 324.428 2.467 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001192397877 797383876 /nfs/dbraw/zinc/38/38/76/797383876.db2.gz NTWADZCEKHPJEK-CHWSQXEVSA-N 0 3 304.381 2.013 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc3n(c2)CCCC3)cc1 ZINC001153924252 797423869 /nfs/dbraw/zinc/42/38/69/797423869.db2.gz LSODCQXRNXUMSB-UHFFFAOYSA-N 0 3 322.412 2.216 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnoc1-c1ccco1 ZINC001154069910 797455846 /nfs/dbraw/zinc/45/58/46/797455846.db2.gz OGNXXDUDVPQBGM-CYBMUJFWSA-N 0 3 315.373 2.398 20 30 DEEDHN C#CC[C@@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1ccccc1 ZINC001192792965 797456086 /nfs/dbraw/zinc/45/60/86/797456086.db2.gz UZHDZBKFEDNXBM-HUUCEWRRSA-N 0 3 314.351 2.196 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001154119946 797467431 /nfs/dbraw/zinc/46/74/31/797467431.db2.gz RXFCROVSMOJALQ-CQSZACIVSA-N 0 3 304.438 2.102 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154275215 797501216 /nfs/dbraw/zinc/50/12/16/797501216.db2.gz IHOHLYQVFQSROZ-BZUAXINKSA-N 0 3 308.466 2.145 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cccc(F)c1 ZINC001154286401 797503516 /nfs/dbraw/zinc/50/35/16/797503516.db2.gz BOODOUUMWQGTRM-UHFFFAOYSA-N 0 3 315.186 2.444 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001193130809 797507525 /nfs/dbraw/zinc/50/75/25/797507525.db2.gz OIHKWVVEMRZMGA-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc(CC2CC2)s1 ZINC001154435946 797534762 /nfs/dbraw/zinc/53/47/62/797534762.db2.gz JHIPZAKKBJXFDO-GFCCVEGCSA-N 0 3 305.447 2.169 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Br)[nH]1 ZINC001193342885 797548978 /nfs/dbraw/zinc/54/89/78/797548978.db2.gz XOZOIJNAGNOKAE-JTQLQIEISA-N 0 3 312.211 2.157 20 30 DEEDHN Cc1noc(C)c1C(=O)NCCCNCc1ccccc1C#N ZINC001154528326 797554679 /nfs/dbraw/zinc/55/46/79/797554679.db2.gz STNHMHFAPFYVGE-UHFFFAOYSA-N 0 3 312.373 2.073 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC001193432431 797565618 /nfs/dbraw/zinc/56/56/18/797565618.db2.gz KFCXIWQJUVVXRK-HNNXBMFYSA-N 0 3 320.433 2.499 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc2ccsc2c1 ZINC001154595540 797571096 /nfs/dbraw/zinc/57/10/96/797571096.db2.gz CHNDPOQVVLIYFH-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC001193673576 797608405 /nfs/dbraw/zinc/60/84/05/797608405.db2.gz JIBMWUCEEFSLHR-ZDUSSCGKSA-N 0 3 324.371 2.314 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCCC=C)C[C@H]2O)CCC1 ZINC001193684762 797609971 /nfs/dbraw/zinc/60/99/71/797609971.db2.gz BZVJWWMUSXDYKG-IAGOWNOFSA-N 0 3 318.461 2.088 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(F)c(F)c1 ZINC001154879580 797632199 /nfs/dbraw/zinc/63/21/99/797632199.db2.gz FMWYXGONMHUZIV-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001193978540 797657766 /nfs/dbraw/zinc/65/77/66/797657766.db2.gz QPULHOUAWXHUSU-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2c(C)nsc2C)C1 ZINC001194314028 797706124 /nfs/dbraw/zinc/70/61/24/797706124.db2.gz DQZXNILLZQAMMC-AWEZNQCLSA-N 0 3 323.462 2.109 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)CN1CCC(C)(C)C1 ZINC001155282954 797725811 /nfs/dbraw/zinc/72/58/11/797725811.db2.gz DQMHRHBRQYUMMF-CQSZACIVSA-N 0 3 315.889 2.297 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001155429411 797755290 /nfs/dbraw/zinc/75/52/90/797755290.db2.gz CCZKGSQCLGSWKV-GFCCVEGCSA-N 0 3 310.800 2.481 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001194619241 797757081 /nfs/dbraw/zinc/75/70/81/797757081.db2.gz MCQHIHIAULIZAY-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(Cl)c1F ZINC001155445134 797758993 /nfs/dbraw/zinc/75/89/93/797758993.db2.gz FNTVEUXXOTWPFQ-GFCCVEGCSA-N 0 3 310.800 2.481 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1c(C)noc1CC ZINC001155447334 797760171 /nfs/dbraw/zinc/76/01/71/797760171.db2.gz XZOFJSNHXBNUMH-AWEZNQCLSA-N 0 3 323.437 2.123 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCn2ccnc2)C12CCC2 ZINC001203239812 797822800 /nfs/dbraw/zinc/82/28/00/797822800.db2.gz KOXBLOJHDCAPAY-ZIAGYGMSSA-N 0 3 322.840 2.043 20 30 DEEDHN C=CCOCC(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001195283527 797870166 /nfs/dbraw/zinc/87/01/66/797870166.db2.gz DKCSHCSJXREZBA-MRXNPFEDSA-N 0 3 302.418 2.485 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001195318491 797879358 /nfs/dbraw/zinc/87/93/58/797879358.db2.gz JQAOCRJBWHERHO-NUJGCVRESA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1coc(C2CCCC2)n1 ZINC001156097415 797925002 /nfs/dbraw/zinc/92/50/02/797925002.db2.gz QWQFFDRWYHTHGU-CYBMUJFWSA-N 0 3 303.406 2.406 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OC)cc1F ZINC001156156582 797934524 /nfs/dbraw/zinc/93/45/24/797934524.db2.gz IGTCYMPSSJZFGH-CQSZACIVSA-N 0 3 320.408 2.227 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001195652484 797939796 /nfs/dbraw/zinc/93/97/96/797939796.db2.gz QHAKOLPNVYMWSK-IBGZPJMESA-N 0 3 316.445 2.356 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)CCN2C ZINC001156218726 797951483 /nfs/dbraw/zinc/95/14/83/797951483.db2.gz VRGAYNUESFKCAQ-OAHLLOKOSA-N 0 3 313.445 2.142 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(-n2cccc2)ccn1 ZINC001156254028 797958073 /nfs/dbraw/zinc/95/80/73/797958073.db2.gz MFBKVMWLQHMICZ-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(CCC(C)C)c1C ZINC001156299323 797969765 /nfs/dbraw/zinc/96/97/65/797969765.db2.gz SMRMKGYSBHYIDN-OAHLLOKOSA-N 0 3 318.465 2.311 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCC(C)C)C[C@H]2O)CC1 ZINC001195877311 797978575 /nfs/dbraw/zinc/97/85/75/797978575.db2.gz ZWIGIALCBBJLDG-IAGOWNOFSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@](C)(OC)c1ccccc1 ZINC001156434085 797999282 /nfs/dbraw/zinc/99/92/82/797999282.db2.gz IHBRJZSYCOIQTP-APWZRJJASA-N 0 3 316.445 2.398 20 30 DEEDHN C#CCCN1CCCN(C(=O)COCc2ccc(C)cc2)CC1 ZINC001196086331 798004329 /nfs/dbraw/zinc/00/43/29/798004329.db2.gz YQNLIERAXDNNRR-UHFFFAOYSA-N 0 3 314.429 2.069 20 30 DEEDHN Cc1nc(-n2cncc2CNCc2ccccc2)cnc1C#N ZINC001156496756 798015773 /nfs/dbraw/zinc/01/57/73/798015773.db2.gz VTQIWOMAAAMERX-UHFFFAOYSA-N 0 3 304.357 2.132 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(OC)cccc1OC ZINC001156585249 798034335 /nfs/dbraw/zinc/03/43/35/798034335.db2.gz COAMPRBFURLFQU-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(COC)c(F)c1 ZINC001156612397 798042994 /nfs/dbraw/zinc/04/29/94/798042994.db2.gz JBRPSUTYQZARMK-CQSZACIVSA-N 0 3 320.408 2.436 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC001156672067 798058956 /nfs/dbraw/zinc/05/89/56/798058956.db2.gz DZKTWWZPVSMMTQ-MRXNPFEDSA-N 0 3 308.397 2.216 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001196482305 798061416 /nfs/dbraw/zinc/06/14/16/798061416.db2.gz LPCAAJFVUIJJAZ-HZPDHXFCSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cccs2)C1 ZINC001196526462 798068896 /nfs/dbraw/zinc/06/88/96/798068896.db2.gz HQJYJGCNKYUKSO-FVQBIDKESA-N 0 3 322.474 2.054 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1cccc(CC)c1 ZINC001156787550 798083117 /nfs/dbraw/zinc/08/31/17/798083117.db2.gz KQKUTHFVZAEHDS-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001156803819 798084424 /nfs/dbraw/zinc/08/44/24/798084424.db2.gz XTQLGGBLPHWKIY-KGLIPLIRSA-N 0 3 306.381 2.053 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(OC)ccc1OC ZINC001156807376 798085327 /nfs/dbraw/zinc/08/53/27/798085327.db2.gz BFURMXIVYYXAMQ-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CCCF)CC1 ZINC001196665875 798089972 /nfs/dbraw/zinc/08/99/72/798089972.db2.gz IZQKHFKVGZGPAA-MRXNPFEDSA-N 0 3 300.418 2.109 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccccc1Cl ZINC001156858694 798096426 /nfs/dbraw/zinc/09/64/26/798096426.db2.gz ZQWCRQJSUPCZFF-CYBMUJFWSA-N 0 3 308.809 2.179 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001157035225 798131228 /nfs/dbraw/zinc/13/12/28/798131228.db2.gz KVVUBSMGOCJFES-CRAIPNDOSA-N 0 3 314.429 2.067 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001157189517 798158752 /nfs/dbraw/zinc/15/87/52/798158752.db2.gz NBWKEXIQZFWZLH-KRWDZBQOSA-N 0 3 323.437 2.029 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1COc2ccccc21 ZINC001157280177 798176554 /nfs/dbraw/zinc/17/65/54/798176554.db2.gz AIFLYWKRYYLOST-ZBFHGGJFSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001157340476 798186299 /nfs/dbraw/zinc/18/62/99/798186299.db2.gz UWYHCOWTPAKEDK-GFCCVEGCSA-N 0 3 301.365 2.380 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001110496740 798259336 /nfs/dbraw/zinc/25/93/36/798259336.db2.gz DRWCBKRHOIAJHN-ZACQAIPSSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001198048059 798271428 /nfs/dbraw/zinc/27/14/28/798271428.db2.gz RLXGYTARCCDJNH-HUUCEWRRSA-N 0 3 308.809 2.081 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccn(C(F)F)n1 ZINC001158024522 798329053 /nfs/dbraw/zinc/32/90/53/798329053.db2.gz SAUAXORBPDHMNB-GFCCVEGCSA-N 0 3 312.364 2.391 20 30 DEEDHN C=CCC[C@H](C)N[C@@H](CNC(=O)COC)c1ccccc1OC ZINC001198443382 798340285 /nfs/dbraw/zinc/34/02/85/798340285.db2.gz IYLOOFZFTKDBBD-HOCLYGCPSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCN[C@H](CNC(=O)COCC=C)c1ccccc1OC ZINC001198606880 798365997 /nfs/dbraw/zinc/36/59/97/798365997.db2.gz WKIJEEDCAWAZIP-MRXNPFEDSA-N 0 3 318.417 2.221 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)[C@H](C)C#N)NCC1CC1 ZINC001198616789 798368277 /nfs/dbraw/zinc/36/82/77/798368277.db2.gz JDXSHBPOYCLKBK-DOMZBBRYSA-N 0 3 301.390 2.012 20 30 DEEDHN C=CCCN[C@H](CNC(=O)c1ncc[nH]1)c1ccccc1OC ZINC001198713013 798387742 /nfs/dbraw/zinc/38/77/42/798387742.db2.gz KEBMEEPWFKAODD-CQSZACIVSA-N 0 3 314.389 2.055 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001158468378 798411828 /nfs/dbraw/zinc/41/18/28/798411828.db2.gz UXSUWGULBBJXTL-CABCVRRESA-N 0 3 316.449 2.329 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158628289 798440901 /nfs/dbraw/zinc/44/09/01/798440901.db2.gz CCQSXNPRBRPZLG-XUNMKLQISA-N 0 3 315.830 2.214 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001158698487 798452507 /nfs/dbraw/zinc/45/25/07/798452507.db2.gz PHSHXNXJUCZGIR-UHFFFAOYSA-N 0 3 323.824 2.415 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001199227220 798453978 /nfs/dbraw/zinc/45/39/78/798453978.db2.gz SGRYNANHUUPKNO-GARNVTTQSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCc1nccn1CC ZINC001158857108 798479609 /nfs/dbraw/zinc/47/96/09/798479609.db2.gz OVXSSRBBRMDCAN-UHFFFAOYSA-N 0 3 312.845 2.278 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001199591345 798504144 /nfs/dbraw/zinc/50/41/44/798504144.db2.gz QAFFUGJYMHRUMP-OSFIAYCASA-N 0 3 314.429 2.136 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C=C2CCCCC2)CCCO1 ZINC001199999129 798576641 /nfs/dbraw/zinc/57/66/41/798576641.db2.gz UDVVMHGQNGNLIF-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@@H](CNCc2cnc(C)s2)C1 ZINC001200074361 798580718 /nfs/dbraw/zinc/58/07/18/798580718.db2.gz NGTKBAZMUYLOSK-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001159665050 798593950 /nfs/dbraw/zinc/59/39/50/798593950.db2.gz JFEBWXHIJBXQME-ZIAGYGMSSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCCCC(=O)N1CCC(NCc2nccn2C(F)F)CC1 ZINC001200317298 798614611 /nfs/dbraw/zinc/61/46/11/798614611.db2.gz PYZPEVFSBPUADO-UHFFFAOYSA-N 0 3 324.375 2.162 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200335195 798616660 /nfs/dbraw/zinc/61/66/60/798616660.db2.gz XYFAPNZCTXALLW-CFRMROPGSA-N 0 3 321.248 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/nfs/dbraw/zinc/76/86/47/798768647.db2.gz XWQRGAMNSWBPTA-ROUUACIJSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccnn1-c1ccccc1 ZINC001161078073 798792927 /nfs/dbraw/zinc/79/29/27/798792927.db2.gz UCZKKFQNBSHGEA-UHFFFAOYSA-N 0 3 318.808 2.334 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)CCCO1 ZINC001201863567 798802862 /nfs/dbraw/zinc/80/28/62/798802862.db2.gz NPJSYTCWGRTVLR-SJORKVTESA-N 0 3 324.440 2.135 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)CCCO1 ZINC001201907991 798809968 /nfs/dbraw/zinc/80/99/68/798809968.db2.gz HLMQPBMDQNECCU-OAHLLOKOSA-N 0 3 322.355 2.078 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)Cc2cccnc2C)CC1 ZINC001161225521 798813473 /nfs/dbraw/zinc/81/34/73/798813473.db2.gz CADUQSIKWKQGQX-UHFFFAOYSA-N 0 3 311.429 2.094 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001202084900 798825810 /nfs/dbraw/zinc/82/58/10/798825810.db2.gz MKDPCTHHULVTJX-HIFRSBDPSA-N 0 3 316.449 2.324 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCCO1 ZINC001202242226 798851673 /nfs/dbraw/zinc/85/16/73/798851673.db2.gz BQIMQFSLGHSRGO-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cccc3[nH]cnc32)CC1 ZINC001161530528 798878418 /nfs/dbraw/zinc/87/84/18/798878418.db2.gz FRELSHPNXMMICF-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN C=C(C)CN1CC=C(CCNC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001161631640 798900302 /nfs/dbraw/zinc/90/03/02/798900302.db2.gz GOOWKTUTGYLYKG-UHFFFAOYSA-N 0 3 315.417 2.011 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2c[nH]nc2C2CC2)CC1 ZINC001161639883 798901585 /nfs/dbraw/zinc/90/15/85/798901585.db2.gz IAGHCAKZPSIMCY-UHFFFAOYSA-N 0 3 300.406 2.225 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cccc(OC)c2)CC1 ZINC001161766397 798933380 /nfs/dbraw/zinc/93/33/80/798933380.db2.gz RHASNZMMOCXVGO-UHFFFAOYSA-N 0 3 312.413 2.471 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CC23CCOCC3)CC1 ZINC001162021811 798996467 /nfs/dbraw/zinc/99/64/67/798996467.db2.gz ULKUQHKLYRGHFQ-INIZCTEOSA-N 0 3 304.434 2.128 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(C)o2)(COC)CC1 ZINC001162081983 799007516 /nfs/dbraw/zinc/00/75/16/799007516.db2.gz XHADAZOPGIFBRB-UHFFFAOYSA-N 0 3 318.417 2.070 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCC[C@H]2C)(COC)CC1 ZINC001162433181 799087227 /nfs/dbraw/zinc/08/72/27/799087227.db2.gz BBRUODODYAQKAA-SJORKVTESA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCC(C)(C)C)(COC)CC1 ZINC001162539178 799111959 /nfs/dbraw/zinc/11/19/59/799111959.db2.gz KEVLJCXMORBXOY-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=CCN1C[C@@H]2C(NC(=O)C/C=C\c3ccc(F)cc3)[C@@H]2C1 ZINC001114458985 799126549 /nfs/dbraw/zinc/12/65/49/799126549.db2.gz XHVHUFRUEKATNP-HNIOXSEQSA-N 0 3 300.377 2.461 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)C2CC2)(COC)CC1 ZINC001162617275 799131701 /nfs/dbraw/zinc/13/17/01/799131701.db2.gz DQRYGLVWBWQIBX-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c[nH]c(Br)c1 ZINC001162780034 799171796 /nfs/dbraw/zinc/17/17/96/799171796.db2.gz JERKGSRYZSYFKM-UHFFFAOYSA-N 0 3 320.618 2.239 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001162827657 799185554 /nfs/dbraw/zinc/18/55/54/799185554.db2.gz ZILGFIPQIQYDBP-ZDUSSCGKSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1cccnc1C ZINC001162911792 799200546 /nfs/dbraw/zinc/20/05/46/799200546.db2.gz WFUYFSYJPPIAMN-UHFFFAOYSA-N 0 3 321.424 2.298 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)C2(CCF)CC2)c(F)c1 ZINC001163141967 799260241 /nfs/dbraw/zinc/26/02/41/799260241.db2.gz FPLFLFRCYGQSFY-UHFFFAOYSA-N 0 3 321.371 2.433 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC001006346090 799261480 /nfs/dbraw/zinc/26/14/80/799261480.db2.gz XTKZDAANYZLQLQ-UHFFFAOYSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@@H](NCc2cnoc2C)C12CCC2 ZINC001202618404 799289216 /nfs/dbraw/zinc/28/92/16/799289216.db2.gz VKNZGJBKTKDAAE-HUUCEWRRSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202695227 799363593 /nfs/dbraw/zinc/36/35/93/799363593.db2.gz ZBPMXYBBTULFOI-UHFFFAOYSA-N 0 3 318.465 2.411 20 30 DEEDHN Cc1ccc([C@@H](C#N)c2ccc(N3CC(N(C)C)C3)nn2)cc1 ZINC001163932842 799459425 /nfs/dbraw/zinc/45/94/25/799459425.db2.gz UNXVMYAWKJUPJX-MRXNPFEDSA-N 0 3 307.401 2.191 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001164193263 799535414 /nfs/dbraw/zinc/53/54/14/799535414.db2.gz RTLLQDDDKIWMFK-OAHLLOKOSA-N 0 3 309.360 2.287 20 30 DEEDHN C#CCCCC(=O)NCCC1(CN[C@H](C)c2cnccn2)CC1 ZINC001164297927 799564046 /nfs/dbraw/zinc/56/40/46/799564046.db2.gz VNNJRMJGLFWUGB-OAHLLOKOSA-N 0 3 314.433 2.217 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1COC)C2 ZINC001095680357 799692019 /nfs/dbraw/zinc/69/20/19/799692019.db2.gz TVCRCEUYWIAUGD-NJAFHUGGSA-N 0 3 312.413 2.191 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOCC)C1 ZINC001111001932 799821101 /nfs/dbraw/zinc/82/11/01/799821101.db2.gz NXAGCIYYTIQUHP-OAGGEKHMSA-N 0 3 306.450 2.491 20 30 DEEDHN N#CC1(C[C@@H](O)CN2CCC(CO)(C(F)(F)F)CC2)CCC1 ZINC000932831591 799948589 /nfs/dbraw/zinc/94/85/89/799948589.db2.gz QOGVMOHBISZDPW-GFCCVEGCSA-N 0 3 320.355 2.068 20 30 DEEDHN N#CCOc1ccc(CN2CCC3(CC2)C[C@H](O)CCO3)cc1 ZINC000933061869 800003144 /nfs/dbraw/zinc/00/31/44/800003144.db2.gz OLGMKMCLYLBJBE-MRXNPFEDSA-N 0 3 316.401 2.095 20 30 DEEDHN C#CCC1(NCc2ccc(S(=O)(=O)N(C)C)s2)CCC1 ZINC000933293656 800062092 /nfs/dbraw/zinc/06/20/92/800062092.db2.gz AOWSHDKJGSUOEU-UHFFFAOYSA-N 0 3 312.460 2.034 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203551286 800076916 /nfs/dbraw/zinc/07/69/16/800076916.db2.gz AMUHKMJOBGEYNC-SFHVURJKSA-N 0 3 300.402 2.393 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203551286 800076918 /nfs/dbraw/zinc/07/69/18/800076918.db2.gz AMUHKMJOBGEYNC-SFHVURJKSA-N 0 3 300.402 2.393 20 30 DEEDHN CN(CCC(=O)Nc1sccc1C#N)Cc1cccc(=O)[nH]1 ZINC000933394810 800083521 /nfs/dbraw/zinc/08/35/21/800083521.db2.gz YAGBVPPPWONRNJ-UHFFFAOYSA-N 0 3 316.386 2.181 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)cc1 ZINC001203901039 800142944 /nfs/dbraw/zinc/14/29/44/800142944.db2.gz DUXCVVLLJOLVLP-IAGOWNOFSA-N 0 3 321.380 2.355 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(F)(F)F)C2 ZINC001111058416 800168565 /nfs/dbraw/zinc/16/85/65/800168565.db2.gz MOYMEESILOYDRK-UPJWGTAASA-N 0 3 302.340 2.464 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cnn(C)c1C)C2 ZINC001204569568 800230548 /nfs/dbraw/zinc/23/05/48/800230548.db2.gz VMVFMQGWRAIMHI-SFHVURJKSA-N 0 3 316.449 2.262 20 30 DEEDHN CN1CCN(Cc2ccc(Nc3ncccc3C#N)cc2)CC1 ZINC001204724173 800250498 /nfs/dbraw/zinc/25/04/98/800250498.db2.gz AXCXEWLJUWFLMX-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(C)C)C1 ZINC001205085267 800295178 /nfs/dbraw/zinc/29/51/78/800295178.db2.gz PFPDTXVSCAJFRM-QZTJIDSGSA-N 0 3 316.445 2.292 20 30 DEEDHN N#C[C@H](c1ccc(Cl)cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934267725 800305583 /nfs/dbraw/zinc/30/55/83/800305583.db2.gz DLJAGSKDYBSVNI-BRWVUGGUSA-N 0 3 319.836 2.436 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC000934671028 800420279 /nfs/dbraw/zinc/42/02/79/800420279.db2.gz UPLYLHZLFBOJOC-CPUCHLNUSA-N 0 3 323.437 2.294 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccncc2C)CC1 ZINC001205873494 800435474 /nfs/dbraw/zinc/43/54/74/800435474.db2.gz RFQFWCFXQPOZQP-UHFFFAOYSA-N 0 3 314.477 2.182 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(CNCc2nccn2C)CC1 ZINC001205989435 800454671 /nfs/dbraw/zinc/45/46/71/800454671.db2.gz UHAHQTHMXPVYMV-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN O=C(c1ccccn1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207063924 800672000 /nfs/dbraw/zinc/67/20/00/800672000.db2.gz RSPSYCGUYROCGT-GOSISDBHSA-N 0 3 319.408 2.328 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cnc(C)s2)CC1 ZINC001207062995 800672305 /nfs/dbraw/zinc/67/23/05/800672305.db2.gz NIKLUVKNBVLMJT-UHFFFAOYSA-N 0 3 320.506 2.243 20 30 DEEDHN C=CCN(CCN(C)CCC(=O)OCC)C(=O)OC(C)(C)C ZINC001207204940 800708778 /nfs/dbraw/zinc/70/87/78/800708778.db2.gz AYNMRFLMYRQNNW-UHFFFAOYSA-N 0 3 314.426 2.295 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2cccc(OC)c2F)C1 ZINC001207389393 800742908 /nfs/dbraw/zinc/74/29/08/800742908.db2.gz BLWFUDOQLDLCLA-UKRRQHHQSA-N 0 3 320.408 2.389 20 30 DEEDHN N#CCSCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001207410986 800745956 /nfs/dbraw/zinc/74/59/56/800745956.db2.gz YMKUVGCLCKJRPJ-AWEZNQCLSA-N 0 3 321.421 2.163 20 30 DEEDHN COCCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207522855 800770596 /nfs/dbraw/zinc/77/05/96/800770596.db2.gz FYOCTSYADTYAIM-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](NCc2c(C)nsc2C)C1 ZINC001207684559 800806392 /nfs/dbraw/zinc/80/63/92/800806392.db2.gz PFBAMBDOJUCFPN-AWEZNQCLSA-N 0 3 323.462 2.043 20 30 DEEDHN CCCCCCC[NH2+][C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001208394327 800974189 /nfs/dbraw/zinc/97/41/89/800974189.db2.gz VEVRCLXUSPXSGK-CQSZACIVSA-N 0 3 320.437 2.347 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001208415227 800979507 /nfs/dbraw/zinc/97/95/07/800979507.db2.gz CRPXPVRHPJHNAV-OIISXLGYSA-N 0 3 301.434 2.444 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001208490584 800993955 /nfs/dbraw/zinc/99/39/55/800993955.db2.gz BUPCNXOZUZJOCP-YNEHKIRRSA-N 0 3 322.371 2.214 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001208918560 801093426 /nfs/dbraw/zinc/09/34/26/801093426.db2.gz IDKYITJOKIRFCL-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001209060886 801122991 /nfs/dbraw/zinc/12/29/91/801122991.db2.gz PLFZCOQMYMAFBW-CVEARBPZSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCCCN1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001209267183 801162459 /nfs/dbraw/zinc/16/24/59/801162459.db2.gz LWIFLWBQMBZIOR-LJQANCHMSA-N 0 3 311.429 2.452 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001209346090 801173134 /nfs/dbraw/zinc/17/31/34/801173134.db2.gz PQSWOFILEBQIST-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001209367000 801176244 /nfs/dbraw/zinc/17/62/44/801176244.db2.gz WYRCNTXGMPIRLM-OCCSQVGLSA-N 0 3 305.426 2.111 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001209454249 801194224 /nfs/dbraw/zinc/19/42/24/801194224.db2.gz KRJNJMZYWPHEKQ-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC1(C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)CC1 ZINC001209465326 801195804 /nfs/dbraw/zinc/19/58/04/801195804.db2.gz PURBZEFAWFTIDH-OAHLLOKOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@H](NCc3ccnn3C)C2)CCC1 ZINC001209505156 801203794 /nfs/dbraw/zinc/20/37/94/801203794.db2.gz ZLNPNQZEQGRQOL-HNNXBMFYSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001229038189 801212296 /nfs/dbraw/zinc/21/22/96/801212296.db2.gz SBOOKAQBCXGOOV-KCPJHIHWSA-N 0 3 324.856 2.358 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cn[nH]c1 ZINC001229031973 801212766 /nfs/dbraw/zinc/21/27/66/801212766.db2.gz YNVIPOKWSHEJIY-ZIAGYGMSSA-N 0 3 310.829 2.112 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)c2ccco2)CC1 ZINC001229165112 801235997 /nfs/dbraw/zinc/23/59/97/801235997.db2.gz YTEDBWINXIMSJK-CQSZACIVSA-N 0 3 306.406 2.166 20 30 DEEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3cnccc3N)C2)c1 ZINC001209738289 801270720 /nfs/dbraw/zinc/27/07/20/801270720.db2.gz XVQZGDYAGTVBFA-KRWDZBQOSA-N 0 3 308.385 2.409 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)COC ZINC001229415380 801273229 /nfs/dbraw/zinc/27/32/29/801273229.db2.gz LISKDEIXBYUVFL-MRVWCRGKSA-N 0 3 302.846 2.429 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(CC)CC ZINC001230193204 801370088 /nfs/dbraw/zinc/37/00/88/801370088.db2.gz WRNLRMFTOSZUTB-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001230320339 801385387 /nfs/dbraw/zinc/38/53/87/801385387.db2.gz VFAXGEXKTHFICY-IAGOWNOFSA-N 0 3 317.433 2.191 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001230327711 801387276 /nfs/dbraw/zinc/38/72/76/801387276.db2.gz FZEGWSHJLYSERK-BFHYXJOUSA-N 0 3 300.830 2.347 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2ccccc2C)C1 ZINC001210735579 801455339 /nfs/dbraw/zinc/45/53/39/801455339.db2.gz IRZJVHOGCWLQKH-HZPDHXFCSA-N 0 3 302.418 2.386 20 30 DEEDHN C#CCCN(CCCNC(=O)c1ccc[nH]1)Cc1cccnc1 ZINC001230671627 801457202 /nfs/dbraw/zinc/45/72/02/801457202.db2.gz WIUIYXWSNGWSRG-UHFFFAOYSA-N 0 3 310.401 2.055 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001211046227 801504823 /nfs/dbraw/zinc/50/48/23/801504823.db2.gz KHBCFKMPFBBSEA-XOKHGSTOSA-N 0 3 318.465 2.464 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)CC(F)F)[C@H](OC)C1 ZINC001213189905 801581241 /nfs/dbraw/zinc/58/12/41/801581241.db2.gz IDHFNUDVIHSOLY-JHJVBQTASA-N 0 3 304.381 2.059 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001213260355 801585379 /nfs/dbraw/zinc/58/53/79/801585379.db2.gz FRXNFEUYZTUVIH-MGPQQGTHSA-N 0 3 300.418 2.152 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC ZINC001213269308 801587726 /nfs/dbraw/zinc/58/77/26/801587726.db2.gz KACSLPGWPAMVFN-ARFHVFGLSA-N 0 3 312.429 2.134 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2csc(C)n2)[C@H](OC)C1 ZINC001213325815 801594908 /nfs/dbraw/zinc/59/49/08/801594908.db2.gz JDMNYXXGOMVFEQ-NJZAAPMLSA-N 0 3 323.462 2.235 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cnoc2CC)[C@H](OC)C1 ZINC001213500568 801616775 /nfs/dbraw/zinc/61/67/75/801616775.db2.gz WSBZSVUGUKDZQG-JGGQBBKZSA-N 0 3 321.421 2.021 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ncccc2F)[C@H](OC)C1 ZINC001213615971 801628617 /nfs/dbraw/zinc/62/86/17/801628617.db2.gz NGEHWTWQKSVSKU-NWANDNLSSA-N 0 3 321.396 2.004 20 30 DEEDHN C=C(C)C(=O)Nc1ccc(OCCN2CC[C@@H](OC)C2)cc1 ZINC001231316683 801634159 /nfs/dbraw/zinc/63/41/59/801634159.db2.gz ISSKKVCNBSXPSM-MRXNPFEDSA-N 0 3 304.390 2.301 20 30 DEEDHN C#Cc1cccc(CN2CCN(CCN(CC=C)CC=C)CC2)c1 ZINC001231660617 801706654 /nfs/dbraw/zinc/70/66/54/801706654.db2.gz IWDGOFZYAWCWAL-UHFFFAOYSA-N 0 3 323.484 2.460 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001214528851 801725161 /nfs/dbraw/zinc/72/51/61/801725161.db2.gz DEDYAXCYWPCDEU-CZUORRHYSA-N 0 3 315.442 2.360 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001215430193 801860710 /nfs/dbraw/zinc/86/07/10/801860710.db2.gz ZQQLSRSIYWOAJS-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C)c(F)c1C#N ZINC001233102041 802025437 /nfs/dbraw/zinc/02/54/37/802025437.db2.gz MJUKBIMGDKVHLM-OKILXGFUSA-N 0 3 302.397 2.042 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3cc(Cl)c[nH]3)[C@H]2C1 ZINC001217286127 802064966 /nfs/dbraw/zinc/06/49/66/802064966.db2.gz OJIPXWVCALTJEO-LSDHHAIUSA-N 0 3 323.824 2.160 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@H](C)SC)[C@H]2C1 ZINC001217665106 802096038 /nfs/dbraw/zinc/09/60/38/802096038.db2.gz HKALHFHUUMYOPK-SOUVJXGZSA-N 0 3 312.479 2.006 20 30 DEEDHN CSCCC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001233671358 802179811 /nfs/dbraw/zinc/17/98/11/802179811.db2.gz LRGYBKFGCSDQBF-UHFFFAOYSA-N 0 3 323.437 2.389 20 30 DEEDHN CC/C=C/CCN1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001233692499 802183549 /nfs/dbraw/zinc/18/35/49/802183549.db2.gz GWKHLVYXYKKMHM-RGDDUWESSA-N 0 3 300.406 2.389 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2CN(CCC(=C)C)C[C@@H]21 ZINC001218518484 802196694 /nfs/dbraw/zinc/19/66/94/802196694.db2.gz WYSCKDDPXZGOIQ-YESZJQIVSA-N 0 3 306.450 2.467 20 30 DEEDHN C[C@@H]1CCN[C@@H](C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)C1 ZINC001218659976 802224424 /nfs/dbraw/zinc/22/44/24/802224424.db2.gz YWQBLCSZYBCELD-LDYMZIIASA-N 0 3 312.295 2.299 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H](O)C1 ZINC001219470788 802334856 /nfs/dbraw/zinc/33/48/56/802334856.db2.gz DTMSIOQVGJUXFL-SJORKVTESA-N 0 3 320.433 2.038 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC/C=C\CC)C[C@@H]1O ZINC001219689760 802366478 /nfs/dbraw/zinc/36/64/78/802366478.db2.gz IAKHCAWAJSLFRU-ZMJQMOPZSA-N 0 3 306.450 2.272 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](O)C1 ZINC001219806864 802380187 /nfs/dbraw/zinc/38/01/87/802380187.db2.gz RKPSZDJJGRWKKG-XZJROXQQSA-N 0 3 324.371 2.094 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@](C)(F)CCCC)[C@@H](O)C1 ZINC001219913532 802388477 /nfs/dbraw/zinc/38/84/77/802388477.db2.gz RKOAHQIKDLYTSU-YCPHGPKFSA-N 0 3 300.418 2.032 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001219959875 802394341 /nfs/dbraw/zinc/39/43/41/802394341.db2.gz QCBZRAJKVZLFGA-YUELXQCFSA-N 0 3 322.474 2.440 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1CCC ZINC001234554163 802412612 /nfs/dbraw/zinc/41/26/12/802412612.db2.gz GDLPKRDWOAULOV-OAHLLOKOSA-N 0 3 304.438 2.406 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 ZINC001220229313 802430663 /nfs/dbraw/zinc/43/06/63/802430663.db2.gz XOUVJMKVNNDVJE-GLQYFDAESA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2occc2Cl)[C@@H](O)C1 ZINC001220289826 802439530 /nfs/dbraw/zinc/43/95/30/802439530.db2.gz FAICDMJHMGFRKK-UHTWSYAYSA-N 0 3 312.797 2.063 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@@H]2O)C1 ZINC001220315017 802443458 /nfs/dbraw/zinc/44/34/58/802443458.db2.gz PTXHOHXBMADMQA-CABCVRRESA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](O)C1 ZINC001220570667 802474587 /nfs/dbraw/zinc/47/45/87/802474587.db2.gz ULMVTSMKVVCPDV-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](O)C1 ZINC001220841034 802503663 /nfs/dbraw/zinc/50/36/63/802503663.db2.gz FAGZTJLKTYIBNZ-GLQYFDAESA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@@H](O)C1 ZINC001221124659 802530652 /nfs/dbraw/zinc/53/06/52/802530652.db2.gz RYMZYCBSQSYHOU-OAGGEKHMSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001221443033 802574379 /nfs/dbraw/zinc/57/43/79/802574379.db2.gz HQXSGNXWMIGINB-QZTJIDSGSA-N 0 3 314.429 2.230 20 30 DEEDHN COCCCCCN1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539370 802591091 /nfs/dbraw/zinc/59/10/91/802591091.db2.gz XDBCMEHSCXBHNX-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001221757732 802612299 /nfs/dbraw/zinc/61/22/99/802612299.db2.gz CIGNJBBTFIMVQF-IAGOWNOFSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN([C@@H](C)COC)C[C@H]32)CCC1 ZINC001221797763 802616510 /nfs/dbraw/zinc/61/65/10/802616510.db2.gz FKXQGIAUYYDLGH-ARFHVFGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCCCOCC)[C@@H]2C1 ZINC001222065624 802636285 /nfs/dbraw/zinc/63/62/85/802636285.db2.gz QDALHTFJEYKKJJ-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C(#Cc1ccccc1)c1ccc(CN2CC3(C2)CNCCO3)s1 ZINC001222441862 802685896 /nfs/dbraw/zinc/68/58/96/802685896.db2.gz UXNMQQDCGUZQIN-UHFFFAOYSA-N 0 3 324.449 2.322 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H]2CCN(CCOCC(C)C)[C@H]2C1 ZINC001222651874 802721714 /nfs/dbraw/zinc/72/17/14/802721714.db2.gz MNVJADBUEAIVPP-MSOLQXFVSA-N 0 3 320.477 2.241 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)Oc2cccc(F)c2)CC1 ZINC001223294022 802779542 /nfs/dbraw/zinc/77/95/42/802779542.db2.gz CVYQQXUYEQXPIE-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cccc3cccnc32)CC1 ZINC001223981226 802828095 /nfs/dbraw/zinc/82/80/95/802828095.db2.gz OVHJVDHBMZZDAS-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)c2cccs2)CC1 ZINC001224051371 802832854 /nfs/dbraw/zinc/83/28/54/802832854.db2.gz UBKSKOPIGSLKGE-UHFFFAOYSA-N 0 3 304.459 2.487 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2cccc(F)c2F)CC1 ZINC001224665026 802891153 /nfs/dbraw/zinc/89/11/53/802891153.db2.gz APNKRQHZUDWVPF-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)Cc2cccs2)CC1 ZINC001224691436 802894039 /nfs/dbraw/zinc/89/40/39/802894039.db2.gz FBROJTNAGYXYEF-CQSZACIVSA-N 0 3 304.459 2.388 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC001224711630 802896764 /nfs/dbraw/zinc/89/67/64/802896764.db2.gz CJHAGUIDQOBAEU-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(C)(C)C ZINC001225308390 802953635 /nfs/dbraw/zinc/95/36/35/802953635.db2.gz ZSLJRKUYIJOBSJ-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001225396150 802960358 /nfs/dbraw/zinc/96/03/58/802960358.db2.gz ZVFAKRVFXULERH-KCPJHIHWSA-N 0 3 320.824 2.412 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C#N ZINC001225394812 802960458 /nfs/dbraw/zinc/96/04/58/802960458.db2.gz DNWMNJYNSNCACJ-COLVAYQJSA-N 0 3 320.462 2.437 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)COc2ccccc2)CC1 ZINC001225442655 802967221 /nfs/dbraw/zinc/96/72/21/802967221.db2.gz QZEVVSPQOSPRDJ-MRXNPFEDSA-N 0 3 314.429 2.163 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC001225515428 802975865 /nfs/dbraw/zinc/97/58/65/802975865.db2.gz IFXHSGPOUSXOSO-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCC(=O)NC1CCN(CCOC[C@H]2CCCCO2)CC1 ZINC001226518094 803118602 /nfs/dbraw/zinc/11/86/02/803118602.db2.gz BNAGCBBARSZKBE-QGZVFWFLSA-N 0 3 324.465 2.119 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@H](Oc2nc3cccnc3[nH]2)C1 ZINC001226668503 803140417 /nfs/dbraw/zinc/14/04/17/803140417.db2.gz UBQIXBNTHMRRPP-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2noc(C)n2)CC1 ZINC001226795906 803161819 /nfs/dbraw/zinc/16/18/19/803161819.db2.gz BZOUEDQWHJJUFD-AWEZNQCLSA-N 0 3 321.425 2.169 20 30 DEEDHN CC(C)CCOCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227273538 803225331 /nfs/dbraw/zinc/22/53/31/803225331.db2.gz RZQAMXBDCNNOBQ-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC(NC(=O)COCCc2cccc(F)c2)CC1 ZINC001227692226 803267954 /nfs/dbraw/zinc/26/79/54/803267954.db2.gz PNTDFMHZIZOMCM-UHFFFAOYSA-N 0 3 320.408 2.151 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(C)cc(C#N)c3)C[C@H]1N2C ZINC001227839081 803287081 /nfs/dbraw/zinc/28/70/81/803287081.db2.gz VAYSRBYDBGNLPC-DZJNRPSUSA-N 0 3 314.385 2.412 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001228061345 803313241 /nfs/dbraw/zinc/31/32/41/803313241.db2.gz LBTGSNQGGXUDGJ-IAGOWNOFSA-N 0 3 316.449 2.131 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001228271008 803337028 /nfs/dbraw/zinc/33/70/28/803337028.db2.gz WVYUGJVOQQBVEH-HZPDHXFCSA-N 0 3 304.438 2.293 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228795554 803415002 /nfs/dbraw/zinc/41/50/02/803415002.db2.gz ZIMVCZIPQXWDLZ-OAHLLOKOSA-N 0 3 318.465 2.146 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](NCc1cccc(F)c1F)C1CC1 ZINC001417971625 1167337347 /nfs/dbraw/zinc/33/73/47/1167337347.db2.gz WHQUWSWMHZVAIY-YGRLFVJLSA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)Cc1ccc(F)cn1 ZINC001330851650 1149315096 /nfs/dbraw/zinc/31/50/96/1149315096.db2.gz NRDVWGDNOULXMP-GFCCVEGCSA-N 0 3 313.804 2.390 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)COC(C)(C)C ZINC001368843960 1148709791 /nfs/dbraw/zinc/70/97/91/1148709791.db2.gz PSUFONPQUYHSCC-NEPJUHHUSA-N 0 3 323.462 2.418 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001331323072 1149418957 /nfs/dbraw/zinc/41/89/57/1149418957.db2.gz AJLBUDQHEGAFMY-AEFFLSMTSA-N 0 3 318.465 2.349 20 30 DEEDHN CN(CCO)c1ccc(C=NN[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC001331362188 1149428809 /nfs/dbraw/zinc/42/88/09/1149428809.db2.gz BIPFAGKZHGOTAS-INIZCTEOSA-N 0 3 319.449 2.385 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H](C)CN(C)C(=O)C#CC1CC1 ZINC001331440207 1149453754 /nfs/dbraw/zinc/45/37/54/1149453754.db2.gz RGKJQOVMAABPKT-NSHDSACASA-N 0 3 305.447 2.110 20 30 DEEDHN C=CCCC(=O)N[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC1(C)C ZINC001335221558 1150386253 /nfs/dbraw/zinc/38/62/53/1150386253.db2.gz NQNLJZDBFNXNJD-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001331598825 1149549397 /nfs/dbraw/zinc/54/93/97/1149549397.db2.gz XAAUGWXRXYYKJA-ZDUSSCGKSA-N 0 3 324.371 2.324 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@H](C)[C@H](C)CC)CC2)C1 ZINC001328129709 1148728058 /nfs/dbraw/zinc/72/80/58/1148728058.db2.gz WKCZGTNQIAJIGH-SJORKVTESA-N 0 3 321.509 2.463 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001331646028 1149572578 /nfs/dbraw/zinc/57/25/78/1149572578.db2.gz FQKGBNUBUGRWKN-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001331645429 1149572130 /nfs/dbraw/zinc/57/21/30/1149572130.db2.gz AYJRGKBIFHHIBX-QQFBHYJXSA-N 0 3 308.466 2.145 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H]2OC)cc1 ZINC001343599758 1150755933 /nfs/dbraw/zinc/75/59/33/1150755933.db2.gz PDZKXKKZEZYJLB-ZNMIVQPWSA-N 0 3 316.357 2.158 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC001574972243 1069315519 /nfs/dbraw/zinc/31/55/19/1069315519.db2.gz LFJIEUPTYCJYOT-NSHDSACASA-N 0 3 316.735 2.298 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CO)NCc1ccccc1C ZINC001331787777 1149680613 /nfs/dbraw/zinc/68/06/13/1149680613.db2.gz LTNCCWUZRSQEGO-SJLPKXTDSA-N 0 3 304.434 2.164 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]1C ZINC001345528970 1150894446 /nfs/dbraw/zinc/89/44/46/1150894446.db2.gz OSFFOGWONVEPHJ-QLFBSQMISA-N 0 3 323.481 2.035 20 30 DEEDHN C=C1CCC(C[NH2+]C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602775840 1069750871 /nfs/dbraw/zinc/75/08/71/1069750871.db2.gz UDGBCTZRKMQRGA-INIZCTEOSA-N 0 3 313.405 2.236 20 30 DEEDHN C=C1CCC(C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602775840 1069750878 /nfs/dbraw/zinc/75/08/78/1069750878.db2.gz UDGBCTZRKMQRGA-INIZCTEOSA-N 0 3 313.405 2.236 20 30 DEEDHN CC#CCC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602894180 1069788977 /nfs/dbraw/zinc/78/89/77/1069788977.db2.gz RRDRGMJBVKVDBX-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC001524044885 1069799386 /nfs/dbraw/zinc/79/93/86/1069799386.db2.gz FUVGLSCMBKSPMU-FDKDBAQKSA-N 0 3 316.357 2.014 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001368983123 1148816960 /nfs/dbraw/zinc/81/69/60/1148816960.db2.gz JULVYZZLOBWOIQ-CABCVRRESA-N 0 3 315.889 2.440 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001368543723 1148486680 /nfs/dbraw/zinc/48/66/80/1148486680.db2.gz ARXBRBWSLSZZDY-CHWSQXEVSA-N 0 3 310.829 2.046 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001529295217 1070933114 /nfs/dbraw/zinc/93/31/14/1070933114.db2.gz GJTWHRGAUHPAJG-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cccc(OC)c1 ZINC001328785582 1148835113 /nfs/dbraw/zinc/83/51/13/1148835113.db2.gz JJVBGIJUVDJIKL-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN N#Cc1ccnnc1N1CCN(c2ccnc3ccccc32)CC1 ZINC001458468634 1058065081 /nfs/dbraw/zinc/06/50/81/1058065081.db2.gz MHCAJYQHVXUSCQ-UHFFFAOYSA-N 0 3 316.368 2.223 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)COc2ccccc2C)CC1 ZINC001500006210 1058428254 /nfs/dbraw/zinc/42/82/54/1058428254.db2.gz RFGZMWAJVYKUKF-UHFFFAOYSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCN(C(=O)CCCC1CCCC1)C1CCN(CCO)CC1 ZINC001500060632 1058460973 /nfs/dbraw/zinc/46/09/73/1058460973.db2.gz SRSKRESRTWGGSR-UHFFFAOYSA-N 0 3 320.477 2.265 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001500457216 1058802576 /nfs/dbraw/zinc/80/25/76/1058802576.db2.gz FGBLPRUQKYWUFR-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(C)COCCN1CCC[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001500495490 1058855145 /nfs/dbraw/zinc/85/51/45/1058855145.db2.gz FYLFAZUOGWRREF-IBGZPJMESA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc(CC)n2)C1 ZINC001500502327 1058864481 /nfs/dbraw/zinc/86/44/81/1058864481.db2.gz SBLYKTGRBNFLJT-IBGZPJMESA-N 0 3 313.445 2.499 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CN([C@@H](C)COC)CCC1(F)F ZINC001500614161 1058966260 /nfs/dbraw/zinc/96/62/60/1058966260.db2.gz RQYNTLYTWDVVOH-STQMWFEESA-N 0 3 318.408 2.307 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001500715866 1059032622 /nfs/dbraw/zinc/03/26/22/1059032622.db2.gz YLGKCKKXYSKKKX-LJQANCHMSA-N 0 3 320.477 2.332 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3CCO)CCCCC1 ZINC001501408097 1059497507 /nfs/dbraw/zinc/49/75/07/1059497507.db2.gz OLVBRFOFLUHZOU-IAGOWNOFSA-N 0 3 318.461 2.018 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001501625722 1059582662 /nfs/dbraw/zinc/58/26/62/1059582662.db2.gz PVUHAUPRLHXHMJ-LSDHHAIUSA-N 0 3 324.856 2.415 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2ccnc(Cl)c2)CCC1 ZINC001501925569 1059782006 /nfs/dbraw/zinc/78/20/06/1059782006.db2.gz QVENIJWJIQBMQP-UHFFFAOYSA-N 0 3 323.824 2.066 20 30 DEEDHN CC#CCCCC(=O)NCC1(NCc2cn(C)nc2C)CCC1 ZINC001501991679 1059839827 /nfs/dbraw/zinc/83/98/27/1059839827.db2.gz OIMJVWLCYQVYQN-UHFFFAOYSA-N 0 3 316.449 2.051 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001502132668 1059979196 /nfs/dbraw/zinc/97/91/96/1059979196.db2.gz WWKSJFOGBNRRCT-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc(C2CC2)s1 ZINC001502392553 1060104642 /nfs/dbraw/zinc/10/46/42/1060104642.db2.gz LTRMIKWXLYGNCU-UHFFFAOYSA-N 0 3 305.447 2.438 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@]1(c2ccccc2)CCCO1 ZINC001502394343 1060104784 /nfs/dbraw/zinc/10/47/84/1060104784.db2.gz QOAVUYZTEADZHG-LJQANCHMSA-N 0 3 314.429 2.106 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cccs2)CCOCC1 ZINC001502608962 1060197570 /nfs/dbraw/zinc/19/75/70/1060197570.db2.gz NKFBHSKHKQEEGS-UHFFFAOYSA-N 0 3 314.838 2.369 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2cccc(C)c2)C[C@H]1C ZINC001503014667 1060423084 /nfs/dbraw/zinc/42/30/84/1060423084.db2.gz OZLKUEKZCTVPEV-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H](C)OC)CC1 ZINC001505394873 1060522669 /nfs/dbraw/zinc/52/26/69/1060522669.db2.gz RDEFJKOFZQQTFS-CYBMUJFWSA-N 0 3 302.846 2.334 20 30 DEEDHN CN(C)CC#CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001472850478 1060594308 /nfs/dbraw/zinc/59/43/08/1060594308.db2.gz MCBBZIKAHMOGHW-UHFFFAOYSA-N 0 3 318.764 2.195 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2cnccc2n1 ZINC001505446757 1060610326 /nfs/dbraw/zinc/61/03/26/1060610326.db2.gz RXFTVOVCTIAQCN-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C[C@H](NCC1CC(NC(=O)C#CC(C)(C)C)C1)c1cnccn1 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C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCCn2ccnc2C)C1 ZINC001479403249 1061442332 /nfs/dbraw/zinc/44/23/32/1061442332.db2.gz XMIYNWFSDPXHPK-SHTZXODSSA-N 0 3 324.856 2.209 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001479497035 1061479193 /nfs/dbraw/zinc/47/91/93/1061479193.db2.gz SGDYNIZZJRKMDD-KCQAQPDRSA-N 0 3 324.856 2.151 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCn3cccc3)C(C)(C)[C@H]21 ZINC001479612923 1061520900 /nfs/dbraw/zinc/52/09/00/1061520900.db2.gz LJRKVCPFJGGNMA-NJAFHUGGSA-N 0 3 313.445 2.117 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cn1cc(C)c2ccccc21 ZINC001479802047 1061802886 /nfs/dbraw/zinc/80/28/86/1061802886.db2.gz IHEFJQPNCKDYNH-UHFFFAOYSA-N 0 3 311.429 2.411 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cncs1 ZINC001479823173 1061844175 /nfs/dbraw/zinc/84/41/75/1061844175.db2.gz UEHGUQKBWIKLDE-UKRRQHHQSA-N 0 3 323.462 2.205 20 30 DEEDHN CCCC[C@@H](CNCc1scnc1C)NC(=O)[C@@H](C)C#N ZINC001506541022 1062107063 /nfs/dbraw/zinc/10/70/63/1062107063.db2.gz KCJRMEIZXOQKDM-AAEUAGOBSA-N 0 3 308.451 2.376 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC12CCN(CC#CC)CC2 ZINC001479984155 1062145047 /nfs/dbraw/zinc/14/50/47/1062145047.db2.gz PEQHVGBOQOTTDA-WMZOPIPTSA-N 0 3 318.461 2.209 20 30 DEEDHN CC[C@H](OC)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001480009590 1062178569 /nfs/dbraw/zinc/17/85/69/1062178569.db2.gz RJPJRTFENZCXQI-CABCVRRESA-N 0 3 321.446 2.029 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001506619072 1062196881 /nfs/dbraw/zinc/19/68/81/1062196881.db2.gz OCPRGTNGNSHIPO-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001506630363 1062211147 /nfs/dbraw/zinc/21/11/47/1062211147.db2.gz MODNEVGIXDWAKI-HOCLYGCPSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001480129990 1062361444 /nfs/dbraw/zinc/36/14/44/1062361444.db2.gz BWRNEEMACCPKMI-SHTZXODSSA-N 0 3 301.365 2.400 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001480140015 1062376785 /nfs/dbraw/zinc/37/67/85/1062376785.db2.gz HPXDANOINOVPKG-MGPQQGTHSA-N 0 3 324.856 2.386 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001506899014 1062486751 /nfs/dbraw/zinc/48/67/51/1062486751.db2.gz BKTOGHJDOHIHDX-JOCQHMNTSA-N 0 3 322.478 2.433 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC001506940677 1062561763 /nfs/dbraw/zinc/56/17/63/1062561763.db2.gz JEDJIXDCONGOQO-LLVKDONJSA-N 0 3 311.813 2.336 20 30 DEEDHN CC(C)C#CC(=O)N1CCC(N(C)Cc2cncc(F)c2)CC1 ZINC001506957303 1062597066 /nfs/dbraw/zinc/59/70/66/1062597066.db2.gz KDMSDIQJOBKGTO-UHFFFAOYSA-N 0 3 317.408 2.303 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001480329560 1062665296 /nfs/dbraw/zinc/66/52/96/1062665296.db2.gz AYOVYNMFKYJCFC-AWEZNQCLSA-N 0 3 301.862 2.050 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H](CNCc1ccns1)C1CC1 ZINC001507007209 1062667800 /nfs/dbraw/zinc/66/78/00/1062667800.db2.gz KWOAHMKUPYNBFV-HNNXBMFYSA-N 0 3 305.447 2.273 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC001480332195 1062670165 /nfs/dbraw/zinc/67/01/65/1062670165.db2.gz PYUOSQBHVHOELJ-HNNXBMFYSA-N 0 3 312.417 2.262 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cccnc1)NCc1ccc(C#N)s1 ZINC001507041240 1062715409 /nfs/dbraw/zinc/71/54/09/1062715409.db2.gz OBJVDGHJXLYKSM-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001480375506 1062740543 /nfs/dbraw/zinc/74/05/43/1062740543.db2.gz IIZKMULDBCBUMK-RKWPFYGESA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CSCC#N ZINC001480375198 1062739653 /nfs/dbraw/zinc/73/96/53/1062739653.db2.gz YBONHNXMAUCAJF-GJZGRUSLSA-N 0 3 307.463 2.275 20 30 DEEDHN C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001507053869 1062744024 /nfs/dbraw/zinc/74/40/24/1062744024.db2.gz ZOLIHGAAQHXNJS-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)COc2ccsc2)C1 ZINC001480388129 1062778127 /nfs/dbraw/zinc/77/81/27/1062778127.db2.gz VQXITXUTRHKIBK-CABCVRRESA-N 0 3 320.458 2.367 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccnc(N(C)C)c1 ZINC001480468786 1062908905 /nfs/dbraw/zinc/90/89/05/1062908905.db2.gz LZNFZSGJDGESOK-CQSZACIVSA-N 0 3 304.438 2.098 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)C1(c2ccccc2F)CC1 ZINC001507143593 1062909232 /nfs/dbraw/zinc/90/92/32/1062909232.db2.gz TWSWMZBPBXWHJA-CQSZACIVSA-N 0 3 302.393 2.317 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001480499249 1062948241 /nfs/dbraw/zinc/94/82/41/1062948241.db2.gz LPVYGYUSKRERHT-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001480568951 1063046603 /nfs/dbraw/zinc/04/66/03/1063046603.db2.gz CHRMGRMVGLIMOY-CYBMUJFWSA-N 0 3 302.422 2.189 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1cccc2ccccc21 ZINC001480582283 1063071174 /nfs/dbraw/zinc/07/11/74/1063071174.db2.gz KUQOGMLMVOWDBC-HNNXBMFYSA-N 0 3 310.397 2.198 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001507310662 1063076289 /nfs/dbraw/zinc/07/62/89/1063076289.db2.gz RRNCXOLRQMEZOI-ZFWWWQNUSA-N 0 3 324.380 2.009 20 30 DEEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)c1cc[nH]c1 ZINC001507311385 1063076877 /nfs/dbraw/zinc/07/68/77/1063076877.db2.gz XWLJNAFLIHLZSS-QAPCUYQASA-N 0 3 307.397 2.259 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCOc2cccc(F)c2)C1 ZINC001507313029 1063080629 /nfs/dbraw/zinc/08/06/29/1063080629.db2.gz KJVINRCOSMJMQY-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCOc2ccc(F)cc2)C1 ZINC001507323393 1063094629 /nfs/dbraw/zinc/09/46/29/1063094629.db2.gz VTHDPQRKMVQZGE-ZBFHGGJFSA-N 0 3 318.392 2.197 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001480693165 1063198775 /nfs/dbraw/zinc/19/87/75/1063198775.db2.gz MFADXBFKMFXDOS-MOPGFXCFSA-N 0 3 321.424 2.489 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001480694156 1063200056 /nfs/dbraw/zinc/20/00/56/1063200056.db2.gz ZJFFXNQHNVMVSE-ZIAGYGMSSA-N 0 3 305.447 2.320 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C1(CC=C)CCCCC1 ZINC001507728550 1063395650 /nfs/dbraw/zinc/39/56/50/1063395650.db2.gz MVHMHSNOZWIDQM-INIZCTEOSA-N 0 3 308.466 2.450 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccc2n[nH]cc2c1)C(C)C ZINC001507831465 1063434231 /nfs/dbraw/zinc/43/42/31/1063434231.db2.gz OARJNLBAVPEAGH-UHFFFAOYSA-N 0 3 312.417 2.369 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2n[nH]c(C)n2)C(C)(C)C)C1 ZINC001508026205 1063501007 /nfs/dbraw/zinc/50/10/07/1063501007.db2.gz VLRHZKGPZNHAMK-CYBMUJFWSA-N 0 3 319.453 2.090 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)Cc2occc2C)CC1 ZINC001508083250 1063544430 /nfs/dbraw/zinc/54/44/30/1063544430.db2.gz QDPXQMQURXXZEW-HNNXBMFYSA-N 0 3 302.418 2.371 20 30 DEEDHN C=C(C)CN[C@H]1CN(C(=O)CCOCC)CC[C@@H]1C(F)(F)F ZINC001508090773 1063549660 /nfs/dbraw/zinc/54/96/60/1063549660.db2.gz MCHQVQWVZCYXQF-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CCOCC)CC[C@H]1C(F)(F)F ZINC001508090758 1063550066 /nfs/dbraw/zinc/55/00/66/1063550066.db2.gz MCHQVQWVZCYXQF-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](OCC)c1ccccc1 ZINC001493159414 1063610085 /nfs/dbraw/zinc/61/00/85/1063610085.db2.gz CJIZSRFSQFOFMR-ROUUACIJSA-N 0 3 314.429 2.368 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC001493208259 1063640380 /nfs/dbraw/zinc/64/03/80/1063640380.db2.gz XGEHBRGDNFQMDP-LSDHHAIUSA-N 0 3 318.392 2.054 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)CN(CC)CC ZINC001508297172 1063653258 /nfs/dbraw/zinc/65/32/58/1063653258.db2.gz XLZODOMFJXMKRF-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CC1(CC(=O)N(C)CCN[C@H](C)C(=O)N(C)C)CCCCC1 ZINC001493728517 1063939187 /nfs/dbraw/zinc/93/91/87/1063939187.db2.gz RHOBTQKDQJDKRN-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)N[C@H](C)c2nncn2C)CC1 ZINC001493819609 1063976734 /nfs/dbraw/zinc/97/67/34/1063976734.db2.gz NPHCHNCVTKDPRH-UONOGXRCSA-N 0 3 319.453 2.059 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1c(C)noc1C)c1ccccc1 ZINC001493905628 1064018445 /nfs/dbraw/zinc/01/84/45/1064018445.db2.gz VTLGXAWKRXQGTG-QGZVFWFLSA-N 0 3 313.401 2.467 20 30 DEEDHN Cc1cc(CN2CC[C@@H](CCNC(=O)C#CC3CC3)C2)sn1 ZINC001494013959 1064081085 /nfs/dbraw/zinc/08/10/85/1064081085.db2.gz MLOUFBMGGGAGHU-OAHLLOKOSA-N 0 3 317.458 2.193 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)CCc1cccc(N(C)C)c1 ZINC001567299833 1064140316 /nfs/dbraw/zinc/14/03/16/1064140316.db2.gz RCLGXMNBFCHRJJ-UHFFFAOYSA-N 0 3 303.450 2.309 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C/C=C/Cl)C2)cn1 ZINC001494173863 1064155390 /nfs/dbraw/zinc/15/53/90/1064155390.db2.gz YBZNTDJZKOSGEY-YOIVXCQUSA-N 0 3 317.820 2.209 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCc2ccc(C)s2)C1 ZINC001567421064 1064192010 /nfs/dbraw/zinc/19/20/10/1064192010.db2.gz KBCBGSNKROWXST-OAHLLOKOSA-N 0 3 304.459 2.451 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c2c(nn1C)CCCC2)C1CC1 ZINC001567442676 1064200842 /nfs/dbraw/zinc/20/08/42/1064200842.db2.gz MZBASAMAOSKLRH-UHFFFAOYSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1sc(COC)nc1C)C1CC1 ZINC001567454226 1064206997 /nfs/dbraw/zinc/20/69/97/1064206997.db2.gz ZACIDEQSKAGUAT-UHFFFAOYSA-N 0 3 323.462 2.368 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@@H](C)O ZINC001567673903 1064333905 /nfs/dbraw/zinc/33/39/05/1064333905.db2.gz OTLOKVVZBMNLOK-OAGGEKHMSA-N 0 3 308.466 2.425 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccnn2CCC)C1 ZINC001567685356 1064343636 /nfs/dbraw/zinc/34/36/36/1064343636.db2.gz WHUVHJTYZSXXCU-MRXNPFEDSA-N 0 3 316.449 2.243 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCc2cn[nH]c2)C1 ZINC001567689017 1064344891 /nfs/dbraw/zinc/34/48/91/1064344891.db2.gz RIOJGLOYVJJDJA-MRXNPFEDSA-N 0 3 304.438 2.231 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(Cc2nccnc2C)C1 ZINC001567701129 1064358620 /nfs/dbraw/zinc/35/86/20/1064358620.db2.gz CLMRUVZJPQTXEE-MRXNPFEDSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1 ZINC001567853782 1064461901 /nfs/dbraw/zinc/46/19/01/1064461901.db2.gz JOOUYRFOUMNMGB-BPUTZDHNSA-N 0 3 302.422 2.156 20 30 DEEDHN C#CCCCCC(=O)N(C)[C@H]1CCN(CCOC2CCC2)C1 ZINC001567908976 1064502686 /nfs/dbraw/zinc/50/26/86/1064502686.db2.gz VWLRBPDXCHXBRU-INIZCTEOSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001494856290 1064519654 /nfs/dbraw/zinc/51/96/54/1064519654.db2.gz MISNCHROHNNAFP-VXGBXAGGSA-N 0 3 308.344 2.063 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2(C(C)(F)F)CC2)C1 ZINC001567922257 1064524129 /nfs/dbraw/zinc/52/41/29/1064524129.db2.gz PBTMWAMKNORKQQ-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)COc2c(C)cccc2C)C1 ZINC001494868300 1064529841 /nfs/dbraw/zinc/52/98/41/1064529841.db2.gz NEAGUARMHIIGLR-QGZVFWFLSA-N 0 3 314.429 2.238 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@](C)(CNCc1cncn1C)C1CC1 ZINC001568022100 1064600768 /nfs/dbraw/zinc/60/07/68/1064600768.db2.gz QRVOBSBYGKEYQZ-SFHVURJKSA-N 0 3 318.465 2.397 20 30 DEEDHN CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCC#Cc1ccccc1 ZINC001494961128 1064612042 /nfs/dbraw/zinc/61/20/42/1064612042.db2.gz NCVPAGJDFFWFGP-KRWDZBQOSA-N 0 3 320.396 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC001568046514 1064616919 /nfs/dbraw/zinc/61/69/19/1064616919.db2.gz DEELGXIIAZZNSC-ZDUSSCGKSA-N 0 3 308.813 2.061 20 30 DEEDHN CCOc1cccc(CN[C@@H](CC)CNC(=O)C#CC(C)C)n1 ZINC001494978616 1064623713 /nfs/dbraw/zinc/62/37/13/1064623713.db2.gz MKPRHTQPRWXXKC-HNNXBMFYSA-N 0 3 317.433 2.124 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ccnc(F)c2)cc1 ZINC001568115573 1064654076 /nfs/dbraw/zinc/65/40/76/1064654076.db2.gz IQRVAWMVLIHIOU-UHFFFAOYSA-N 0 3 311.360 2.264 20 30 DEEDHN CC[C@H](F)CN1CCC(CCNC(=O)CSCC#N)CC1 ZINC001568124052 1064659158 /nfs/dbraw/zinc/65/91/58/1064659158.db2.gz SZRHXZKFUMEHMG-AWEZNQCLSA-N 0 3 315.458 2.210 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(OC)nc2)CCCC1 ZINC001495171464 1064742165 /nfs/dbraw/zinc/74/21/65/1064742165.db2.gz LHHRPCNGNOGYPP-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H](C)CNCC(=O)N1CCCCCC1 ZINC001568294031 1064758698 /nfs/dbraw/zinc/75/86/98/1064758698.db2.gz AKJKZTJHIPDOON-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001568393616 1064833468 /nfs/dbraw/zinc/83/34/68/1064833468.db2.gz OSECXCOFLXVAQO-CQSZACIVSA-N 0 3 308.813 2.204 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC001495342279 1064845261 /nfs/dbraw/zinc/84/52/61/1064845261.db2.gz QGIAKXQHCIBWDU-KBPBESRZSA-N 0 3 300.830 2.136 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)NC(C)C ZINC001568427890 1064863662 /nfs/dbraw/zinc/86/36/62/1064863662.db2.gz AGBZUTKBQQVDRS-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001495376375 1064868339 /nfs/dbraw/zinc/86/83/39/1064868339.db2.gz BTEGCQVXVOIDTQ-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC001568493496 1064910626 /nfs/dbraw/zinc/91/06/26/1064910626.db2.gz WIOMIZVWLAMZQF-HIFRSBDPSA-N 0 3 304.438 2.042 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001495488777 1064941255 /nfs/dbraw/zinc/94/12/55/1064941255.db2.gz ONXWCTPKVSHCDD-RXTQTKKPSA-N 0 3 320.820 2.183 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)Cc2ccn(C(C)C)n2)cc1 ZINC001495490159 1064943163 /nfs/dbraw/zinc/94/31/63/1064943163.db2.gz POGRGYITSFVDCX-UHFFFAOYSA-N 0 3 324.428 2.046 20 30 DEEDHN CCc1nc(C)c(CNCC[C@H](C)NC(=O)C#CC(C)C)o1 ZINC001568629788 1065005053 /nfs/dbraw/zinc/00/50/53/1065005053.db2.gz SKADNOXFCBHKPO-ZDUSSCGKSA-N 0 3 305.422 2.189 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(NC(N)=O)c1 ZINC001568705519 1065064534 /nfs/dbraw/zinc/06/45/34/1065064534.db2.gz GYRLKHHNPIHZNO-NSHDSACASA-N 0 3 324.812 2.028 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccnc1N1CCCC1 ZINC001618807646 1078159002 /nfs/dbraw/zinc/15/90/02/1078159002.db2.gz NGBHECHTWYKYTB-UHFFFAOYSA-N 0 3 316.449 2.262 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C/CNCc1ccc(F)cc1C ZINC001568842714 1065151453 /nfs/dbraw/zinc/15/14/53/1065151453.db2.gz BZADMBBGORGFQA-QWNKOJSDSA-N 0 3 320.408 2.223 20 30 DEEDHN C=CCC1(C(=O)NCC2(NCCF)CCCC2)CCOCC1 ZINC001495959812 1065196241 /nfs/dbraw/zinc/19/62/41/1065196241.db2.gz OPOMIPGYOHFADN-UHFFFAOYSA-N 0 3 312.429 2.347 20 30 DEEDHN CCCCOCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001569049887 1065257815 /nfs/dbraw/zinc/25/78/15/1065257815.db2.gz NXGQGCPJBAKHCC-HNNXBMFYSA-N 0 3 320.408 2.088 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)[C@@H](C)CNCc2cncc(C)c2)c1 ZINC001496151664 1065309087 /nfs/dbraw/zinc/30/90/87/1065309087.db2.gz LULZAXPWBSCZQR-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)Cn1ccnc1C(C)C ZINC001496170385 1065320110 /nfs/dbraw/zinc/32/01/10/1065320110.db2.gz POWYFOKNCWESDN-CYBMUJFWSA-N 0 3 312.845 2.196 20 30 DEEDHN C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001569166484 1065335078 /nfs/dbraw/zinc/33/50/78/1065335078.db2.gz UOMYCJZGGBKLEB-DZGCQCFKSA-N 0 3 318.421 2.027 20 30 DEEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)c1cn[nH]c1 ZINC001496255187 1065366474 /nfs/dbraw/zinc/36/64/74/1065366474.db2.gz PORXCAMRMIQALB-GOSISDBHSA-N 0 3 324.428 2.196 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)/C=C/C(C)(C)C ZINC001496261074 1065370185 /nfs/dbraw/zinc/37/01/85/1065370185.db2.gz JDXTVXFMMPNMBD-ZNFPLGDCSA-N 0 3 308.466 2.359 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1csc2cncn21 ZINC001569244866 1065391822 /nfs/dbraw/zinc/39/18/22/1065391822.db2.gz DNDDYYRMPGAOOD-UHFFFAOYSA-N 0 3 312.826 2.200 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(OC)no2)[C@@H](C)C1 ZINC001496343493 1065417510 /nfs/dbraw/zinc/41/75/10/1065417510.db2.gz OUTZZYPIETWCAV-DZGCQCFKSA-N 0 3 321.421 2.366 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cnn(C)c1 ZINC001496462661 1065486246 /nfs/dbraw/zinc/48/62/46/1065486246.db2.gz FMSLPUGSPAXIGM-HOCLYGCPSA-N 0 3 304.438 2.103 20 30 DEEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCOC1 ZINC001569459992 1065519983 /nfs/dbraw/zinc/51/99/83/1065519983.db2.gz YZAVCAVACPWDMT-ZACQAIPSSA-N 0 3 318.461 2.138 20 30 DEEDHN C/C=C(/C)C(=O)N1CCCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001569622517 1065627981 /nfs/dbraw/zinc/62/79/81/1065627981.db2.gz RFUPVHGKEMTYFA-HTZFYIAISA-N 0 3 318.461 2.307 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)C)C2 ZINC001569624961 1065628196 /nfs/dbraw/zinc/62/81/96/1065628196.db2.gz QPAHXAYEZYLFEA-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001569650491 1065649796 /nfs/dbraw/zinc/64/97/96/1065649796.db2.gz BWHKXHGHYHCWFG-MJGOQNOKSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCOc2cccnc2)C1 ZINC001569655806 1065654757 /nfs/dbraw/zinc/65/47/57/1065654757.db2.gz XBHHYNHERVXKNZ-GOSISDBHSA-N 0 3 317.433 2.397 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001484331421 1079545047 /nfs/dbraw/zinc/54/50/47/1079545047.db2.gz ASGSXTBYMGFWII-KGLIPLIRSA-N 0 3 305.447 2.273 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCc2ccncc2)C1 ZINC001569715881 1065688210 /nfs/dbraw/zinc/68/82/10/1065688210.db2.gz KUQBTLAPXWVBJS-LJQANCHMSA-N 0 3 313.445 2.256 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001569761388 1065710107 /nfs/dbraw/zinc/71/01/07/1065710107.db2.gz KZBJEYHVMCWYLS-NVXWUHKLSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1ccn(C)n1 ZINC001496897342 1065786364 /nfs/dbraw/zinc/78/63/64/1065786364.db2.gz DTMHXOLCZQIOMJ-HIFRSBDPSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C1CCC(C(=O)NCCN(CC)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001496948991 1065823217 /nfs/dbraw/zinc/82/32/17/1065823217.db2.gz QHQXCYSBVPBGLA-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)cn2ccnc12 ZINC001626751029 1078261334 /nfs/dbraw/zinc/26/13/34/1078261334.db2.gz QBAVTNLGNKPVGJ-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c2c[nH]nc2ccc1C ZINC001626755223 1078262061 /nfs/dbraw/zinc/26/20/61/1078262061.db2.gz SWGBANWULBFHIT-UHFFFAOYSA-N 0 3 300.406 2.451 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC001570022148 1065887428 /nfs/dbraw/zinc/88/74/28/1065887428.db2.gz OPTZCMANMSBMAV-CABCVRRESA-N 0 3 314.857 2.384 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](OCC)c2ccccc2)CCC1 ZINC001570127294 1065934586 /nfs/dbraw/zinc/93/45/86/1065934586.db2.gz APVBRNAQDGJEDO-INIZCTEOSA-N 0 3 300.402 2.026 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2cc3cscc3s2)CCO1 ZINC001570145588 1065940643 /nfs/dbraw/zinc/94/06/43/1065940643.db2.gz CERKQDTYGVMFQZ-GFCCVEGCSA-N 0 3 320.439 2.027 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cn2c(n1)CCCC2 ZINC001497199462 1065957281 /nfs/dbraw/zinc/95/72/81/1065957281.db2.gz QMTAZONJKBNLPA-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001570206300 1065971812 /nfs/dbraw/zinc/97/18/12/1065971812.db2.gz ODFGJGXLMSVKTO-CYBMUJFWSA-N 0 3 320.437 2.239 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001570206300 1065971822 /nfs/dbraw/zinc/97/18/22/1065971822.db2.gz ODFGJGXLMSVKTO-CYBMUJFWSA-N 0 3 320.437 2.239 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1c(C)cccc1C ZINC001570216739 1065976788 /nfs/dbraw/zinc/97/67/88/1065976788.db2.gz IRTNSQRCHGZZEC-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN CC#CCCCC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC001570379326 1066040168 /nfs/dbraw/zinc/04/01/68/1066040168.db2.gz JXSVHGLKXSLBMI-UHFFFAOYSA-N 0 3 320.462 2.202 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)C(=O)C(C)(C)C ZINC001497362295 1066051166 /nfs/dbraw/zinc/05/11/66/1066051166.db2.gz PHZVQEOZDDJICU-UHFFFAOYSA-N 0 3 321.446 2.173 20 30 DEEDHN CCN(CCNCc1ccccc1N(C)C)C(=O)C#CC1CC1 ZINC001497391714 1066067914 /nfs/dbraw/zinc/06/79/14/1066067914.db2.gz YGLIUTKNGBJJFJ-UHFFFAOYSA-N 0 3 313.445 2.104 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2cccc(Cl)c2)C[C@H]1C ZINC001570449617 1066078240 /nfs/dbraw/zinc/07/82/40/1066078240.db2.gz RZVAYHXSOOQKNX-UKRRQHHQSA-N 0 3 320.820 2.321 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001570499156 1066095812 /nfs/dbraw/zinc/09/58/12/1066095812.db2.gz GFKAHQAVHAKDJG-MRXNPFEDSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC001570524564 1066104778 /nfs/dbraw/zinc/10/47/78/1066104778.db2.gz WRGYZUKPZXRKTF-HNNXBMFYSA-N 0 3 322.474 2.416 20 30 DEEDHN Cc1cc(F)ccc1CNC/C=C\CNC(=O)CSCC#N ZINC001497538373 1066132521 /nfs/dbraw/zinc/13/25/21/1066132521.db2.gz UUEKUMMIVRKZKB-IHWYPQMZSA-N 0 3 321.421 2.153 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001497575205 1066145588 /nfs/dbraw/zinc/14/55/88/1066145588.db2.gz VVCXZHPLXQCPRF-LAQIPUCWSA-N 0 3 322.836 2.429 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@H](C)CCc1ccccc1F ZINC001497676131 1066230251 /nfs/dbraw/zinc/23/02/51/1066230251.db2.gz XJWDRVVPZDOPDO-IDTUSYRASA-N 0 3 302.393 2.290 20 30 DEEDHN C=C(Cl)CNC/C=C\CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001497764628 1066295590 /nfs/dbraw/zinc/29/55/90/1066295590.db2.gz PSEGOSHYHUWERC-XITLMJRVSA-N 0 3 321.852 2.304 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)/C=C/c1ccco1 ZINC001497782858 1066306894 /nfs/dbraw/zinc/30/68/94/1066306894.db2.gz UPDHQFJDSLAXHD-LPQFERQCSA-N 0 3 308.381 2.439 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001497916238 1066411591 /nfs/dbraw/zinc/41/15/91/1066411591.db2.gz FVHKASZQCJOTJI-LYRGGWFBSA-N 0 3 324.371 2.150 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CCCCN1CC ZINC001575917860 1066457107 /nfs/dbraw/zinc/45/71/07/1066457107.db2.gz DLTPPTYQOSYDBH-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001498011869 1066458387 /nfs/dbraw/zinc/45/83/87/1066458387.db2.gz TYCLHJWWVROEPB-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccccc1[O-] ZINC001498013766 1066458787 /nfs/dbraw/zinc/45/87/87/1066458787.db2.gz KWOMQLFWSNRVPN-ZDUSSCGKSA-N 0 3 309.369 2.172 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001498087605 1066495045 /nfs/dbraw/zinc/49/50/45/1066495045.db2.gz RPGKOGJALJPBRC-LBPRGKRZSA-N 0 3 307.442 2.125 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCC(=O)N1CCCC[C@@H]1C ZINC001498087023 1066495572 /nfs/dbraw/zinc/49/55/72/1066495572.db2.gz NXFMKNBHGHDFTK-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1cccc(CN(C)C[C@H](C)NC(=O)c2c[nH]c(C#N)c2)c1 ZINC001498261436 1066602525 /nfs/dbraw/zinc/60/25/25/1066602525.db2.gz FLGJYPFYPLSKQX-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001498281124 1066612420 /nfs/dbraw/zinc/61/24/20/1066612420.db2.gz OOTBGUFRJWLFAO-HNNXBMFYSA-N 0 3 320.408 2.111 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)C=C)cc2)CC1 ZINC001632867902 1078392424 /nfs/dbraw/zinc/39/24/24/1078392424.db2.gz BTUKLZMOMYWVQP-UHFFFAOYSA-N 0 3 313.401 2.191 20 30 DEEDHN CC[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)CC(F)(F)F ZINC001577085146 1066759665 /nfs/dbraw/zinc/75/96/65/1066759665.db2.gz ILXIODAFBFWIFL-WDBLDGLGSA-N 0 3 317.355 2.221 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001577426573 1066839530 /nfs/dbraw/zinc/83/95/30/1066839530.db2.gz RVFRJLVPNSIQFD-XHSDSOJGSA-N 0 3 323.481 2.334 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC001577425910 1066840307 /nfs/dbraw/zinc/84/03/07/1066840307.db2.gz ALIKOVBGDOQYFN-UONOGXRCSA-N 0 3 324.425 2.047 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C#N)c(OC)c1 ZINC001634645579 1078434881 /nfs/dbraw/zinc/43/48/81/1078434881.db2.gz BTFLDXDPYKIXRU-UHFFFAOYSA-N 0 3 301.390 2.147 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnn(CC)c1C1CC1 ZINC001634646866 1078435099 /nfs/dbraw/zinc/43/50/99/1078435099.db2.gz SQZIIOROLPUSKK-UHFFFAOYSA-N 0 3 304.438 2.360 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C(F)(F)F)nn1C ZINC001634645821 1078435209 /nfs/dbraw/zinc/43/52/09/1078435209.db2.gz FYVJIFAHDRJBBP-UHFFFAOYSA-N 0 3 318.343 2.019 20 30 DEEDHN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](N)CCCC#N ZINC001578054086 1066967796 /nfs/dbraw/zinc/96/77/96/1066967796.db2.gz SQMNMUSSUDUSDY-GFCCVEGCSA-N 0 3 323.418 2.447 20 30 DEEDHN N#Cc1ccc(C[NH2+]C2(CNC(=O)c3ccccc3[O-])CC2)cc1 ZINC001499160919 1067124947 /nfs/dbraw/zinc/12/49/47/1067124947.db2.gz HHMRHXZLIBVUQD-UHFFFAOYSA-N 0 3 321.380 2.316 20 30 DEEDHN CC#CCNC1(CNC(=O)c2noc3c2CC(C)(C)CC3)CC1 ZINC001499299310 1067174773 /nfs/dbraw/zinc/17/47/73/1067174773.db2.gz LTSITBYTKPJSSC-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN CC#CCNC1(CNC(=O)CCCOc2ccc(C)cc2)CC1 ZINC001499439431 1067221306 /nfs/dbraw/zinc/22/13/06/1067221306.db2.gz SXJIORRETULHAB-UHFFFAOYSA-N 0 3 314.429 2.416 20 30 DEEDHN COc1ccc(C2(CNC(=O)[C@@H](N)CCCC#N)CCC2)cc1 ZINC001579198896 1067255050 /nfs/dbraw/zinc/25/50/50/1067255050.db2.gz BSCIUNIGDGHGOH-INIZCTEOSA-N 0 3 315.417 2.254 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001267022432 1078507625 /nfs/dbraw/zinc/50/76/25/1078507625.db2.gz IEKVJLNOGIQTBJ-HNNXBMFYSA-N 0 3 314.433 2.285 20 30 DEEDHN CSc1ccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1C#N ZINC001579388552 1067324367 /nfs/dbraw/zinc/32/43/67/1067324367.db2.gz XRCYKONOAQKBKN-NEPJUHHUSA-N 0 3 318.446 2.172 20 30 DEEDHN Cn1cc(NC(=O)[C@@H](N)CCCCC#N)c(-c2ccco2)n1 ZINC001579963994 1067463220 /nfs/dbraw/zinc/46/32/20/1067463220.db2.gz BHNJLLVDIPXIHR-NSHDSACASA-N 0 3 301.350 2.030 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)C1=COCCC1 ZINC001483457124 1078544474 /nfs/dbraw/zinc/54/44/74/1078544474.db2.gz NMPDELWYUKVKDP-UHFFFAOYSA-N 0 3 317.227 2.027 20 30 DEEDHN CCc1nocc1CNCCCN(C)C(=O)C#CC(C)(C)C ZINC001483464092 1078551150 /nfs/dbraw/zinc/55/11/50/1078551150.db2.gz FQYHCQKBKICCHS-UHFFFAOYSA-N 0 3 305.422 2.225 20 30 DEEDHN Cc1ncc(CNC[C@@H](NC(=O)C#CC(C)C)C2CC2)s1 ZINC001483560701 1078597209 /nfs/dbraw/zinc/59/72/09/1078597209.db2.gz XUVCRONJUPSIMI-OAHLLOKOSA-N 0 3 305.447 2.095 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC001640015755 1078637366 /nfs/dbraw/zinc/63/73/66/1078637366.db2.gz IZMQYZVNAMMPMY-UHFFFAOYSA-N 0 3 302.378 2.250 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC001640228739 1078649560 /nfs/dbraw/zinc/64/95/60/1078649560.db2.gz SWGUIMDDRGQZCW-UHFFFAOYSA-N 0 3 322.412 2.411 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)COC1CCCC1 ZINC001570818748 1068127774 /nfs/dbraw/zinc/12/77/74/1068127774.db2.gz YKOIIDJKDRUYEJ-INIZCTEOSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)C#CC(C)C)C2)C1 ZINC001570884242 1068146769 /nfs/dbraw/zinc/14/67/69/1068146769.db2.gz HKILWYRAOIXUHD-HKUYNNGSSA-N 0 3 318.461 2.304 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CN(C[C@H]2CC(C)(C)CO2)CC1(C)C ZINC001570894903 1068152634 /nfs/dbraw/zinc/15/26/34/1068152634.db2.gz LIORPTQTYZJVCF-CVEARBPZSA-N 0 3 320.477 2.288 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)N[C@H]1CCc2c1cccc2F ZINC001571437568 1068292638 /nfs/dbraw/zinc/29/26/38/1068292638.db2.gz VZRAEIVVUAIYET-WBMJQRKESA-N 0 3 320.408 2.092 20 30 DEEDHN C=CCCOCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001267233234 1078684853 /nfs/dbraw/zinc/68/48/53/1078684853.db2.gz JXEFUXWEGYVJDS-QGZVFWFLSA-N 0 3 320.408 2.454 20 30 DEEDHN CO[C@H](C)C(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001267236050 1078687202 /nfs/dbraw/zinc/68/72/02/1078687202.db2.gz OLRNVKXUWBYDBS-QGZVFWFLSA-N 0 3 316.445 2.290 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2CCCCC2)C1 ZINC001571469596 1068320761 /nfs/dbraw/zinc/32/07/61/1068320761.db2.gz SEIFNBNJVDURIS-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CSCC#N ZINC001571470404 1068323698 /nfs/dbraw/zinc/32/36/98/1068323698.db2.gz CSEONRFXLSMVME-OCCSQVGLSA-N 0 3 321.421 2.161 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2CCC[C@H](NCc3ccon3)[C@H]2C1 ZINC001571508159 1068367741 /nfs/dbraw/zinc/36/77/41/1068367741.db2.gz BDDIAYLWWJJEKL-XIRDDKMYSA-N 0 3 315.417 2.195 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cn(C)nc2C)[C@H]1C ZINC001571523263 1068393287 /nfs/dbraw/zinc/39/32/87/1068393287.db2.gz QLEBXLWIJZRGKU-WBVHZDCISA-N 0 3 318.465 2.206 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)COCc2cccnc2)[C@H]1C ZINC001571525937 1068396545 /nfs/dbraw/zinc/39/65/45/1068396545.db2.gz YZDAFGDSQZURFF-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)c2ccsc2C)CC1(C)C ZINC001571556872 1068419301 /nfs/dbraw/zinc/41/93/01/1068419301.db2.gz DDVHSKNJUWDTIT-HNNXBMFYSA-N 0 3 320.458 2.147 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001571602698 1068434021 /nfs/dbraw/zinc/43/40/21/1068434021.db2.gz LHULSEKTYPTSFM-HNNXBMFYSA-N 0 3 324.852 2.128 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)Cc1ccc(C)c(Cl)c1 ZINC001571602699 1068434603 /nfs/dbraw/zinc/43/46/03/1068434603.db2.gz LHULSEKTYPTSFM-OAHLLOKOSA-N 0 3 324.852 2.128 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H](OC)C3CCCC3)CC2)CC1 ZINC001571670137 1068471474 /nfs/dbraw/zinc/47/14/74/1068471474.db2.gz ACDHKQVTVJXDOX-KRWDZBQOSA-N 0 3 318.461 2.186 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)CN(CC)CC ZINC001571719131 1068497608 /nfs/dbraw/zinc/49/76/08/1068497608.db2.gz MDTCFIUQKKAVFY-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC001267288234 1078734736 /nfs/dbraw/zinc/73/47/36/1078734736.db2.gz PBSJSMJUIWQXTI-OAHLLOKOSA-N 0 3 320.408 2.275 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001571857241 1068555766 /nfs/dbraw/zinc/55/57/66/1068555766.db2.gz USQVBZGGBGSLSS-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001571861845 1068557515 /nfs/dbraw/zinc/55/75/15/1068557515.db2.gz FZJJVPFNKLIYKE-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)CC1CCC(OC)CC1 ZINC001267320670 1078763191 /nfs/dbraw/zinc/76/31/91/1078763191.db2.gz RRBATSTXMJOMTO-UHFFFAOYSA-N 0 3 308.466 2.433 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001514597422 1068741458 /nfs/dbraw/zinc/74/14/58/1068741458.db2.gz RZICQFDMQRPRJB-OAGGEKHMSA-N 0 3 307.438 2.063 20 30 DEEDHN C=CCOCC(=O)N(C)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001267354746 1078788466 /nfs/dbraw/zinc/78/84/66/1078788466.db2.gz XIOOGQFOTQNYTE-MRXNPFEDSA-N 0 3 324.371 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)OCc1ccncc1 ZINC001483683321 1078788941 /nfs/dbraw/zinc/78/89/41/1078788941.db2.gz YOYIBDSZLJFQRG-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)[C@@H](C)C2CC2)cc1C#N ZINC001267359334 1078792949 /nfs/dbraw/zinc/79/29/49/1078792949.db2.gz IHQJGHSHCRRNDZ-ZDUSSCGKSA-N 0 3 315.417 2.161 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnoc1CC)c1ccccc1 ZINC001267371554 1078800809 /nfs/dbraw/zinc/80/08/09/1078800809.db2.gz ZRFPWPSCZTYJSK-MRXNPFEDSA-N 0 3 311.385 2.321 20 30 DEEDHN CC(C)(C)[C@H](N)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001573458169 1069003759 /nfs/dbraw/zinc/00/37/59/1069003759.db2.gz QMYFVHMUFDTHIW-MRXNPFEDSA-N 0 3 315.417 2.301 20 30 DEEDHN C#CC(C)(C)C(=O)N1CCC[C@]2(C1)CN(C1CCCC1)CCO2 ZINC001272348615 1078825080 /nfs/dbraw/zinc/82/50/80/1078825080.db2.gz ORKOQPIKAJQIFG-LJQANCHMSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001483709867 1078838865 /nfs/dbraw/zinc/83/88/65/1078838865.db2.gz PBBNZAZOXZUZLP-CQSZACIVSA-N 0 3 312.417 2.262 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC12CCC2 ZINC001267435379 1078849503 /nfs/dbraw/zinc/84/95/03/1078849503.db2.gz WMECFIZOBFTJOQ-OAHLLOKOSA-N 0 3 315.392 2.436 20 30 DEEDHN COc1cccc([C@H](C)NC2(CNC(=O)[C@@H](C)C#N)CC2)c1 ZINC001483723353 1078875265 /nfs/dbraw/zinc/87/52/65/1078875265.db2.gz LPXHPFPRCVSDLK-STQMWFEESA-N 0 3 301.390 2.154 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC001521446307 1069243034 /nfs/dbraw/zinc/24/30/34/1069243034.db2.gz MNFHBMKQUQVUHB-INIZCTEOSA-N 0 3 303.406 2.145 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2ccc(C(=O)OC)cc21 ZINC001574851775 1069276042 /nfs/dbraw/zinc/27/60/42/1069276042.db2.gz LOZLKHBXLODYHV-CYBMUJFWSA-N 0 3 322.792 2.222 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001521908503 1069281846 /nfs/dbraw/zinc/28/18/46/1069281846.db2.gz XDADPUQSBMIUPW-SDDRHHMPSA-N 0 3 308.344 2.286 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12 ZINC001574963624 1069308653 /nfs/dbraw/zinc/30/86/53/1069308653.db2.gz WZHIAGZHLHBDNK-DOTOQJQBSA-N 0 3 311.429 2.356 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001542973337 1072470639 /nfs/dbraw/zinc/47/06/39/1072470639.db2.gz JZJJCZXUHIPMRR-UHFFFAOYSA-N 0 3 318.377 2.069 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cnn(C)c1CC)c1ccccc1 ZINC001267519314 1078948572 /nfs/dbraw/zinc/94/85/72/1078948572.db2.gz DHKNBMYXPKOJSF-KRWDZBQOSA-N 0 3 324.428 2.067 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3ccc(CO)o3)CC2)C1=O ZINC001272638779 1079028048 /nfs/dbraw/zinc/02/80/48/1079028048.db2.gz USNHSWCLDHVHHV-UHFFFAOYSA-N 0 3 318.417 2.163 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC001645872771 1079033932 /nfs/dbraw/zinc/03/39/32/1079033932.db2.gz JOMGFGYSPFXNEX-MJGOQNOKSA-N 0 3 321.380 2.135 20 30 DEEDHN N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001272646574 1079040792 /nfs/dbraw/zinc/04/07/92/1079040792.db2.gz RLRGIPOTDSAPAG-QZTJIDSGSA-N 0 3 322.412 2.427 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2ccsc2)CC1 ZINC001267573979 1079053855 /nfs/dbraw/zinc/05/38/55/1079053855.db2.gz QUWDLXKTPNVGCF-UHFFFAOYSA-N 0 3 307.463 2.014 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001368640036 1148543400 /nfs/dbraw/zinc/54/34/00/1148543400.db2.gz ABFWCYAUGKMNGD-BFHYXJOUSA-N 0 3 300.830 2.040 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2ccccc2CC)CC1 ZINC001670885424 1079069024 /nfs/dbraw/zinc/06/90/24/1079069024.db2.gz POQOOAXQXFCCFB-UHFFFAOYSA-N 0 3 314.429 2.280 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001483767341 1079092878 /nfs/dbraw/zinc/09/28/78/1079092878.db2.gz AEAYLBWGXZVJMY-KGLIPLIRSA-N 0 3 306.431 2.078 20 30 DEEDHN Cc1ccc(OCCN2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)cc1 ZINC001481031728 1079093835 /nfs/dbraw/zinc/09/38/35/1079093835.db2.gz FBMFKFTUITYWHN-JKSUJKDBSA-N 0 3 315.417 2.114 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCCO1 ZINC001272670544 1079101878 /nfs/dbraw/zinc/10/18/78/1079101878.db2.gz USMCVGMKBSORJE-SFHVURJKSA-N 0 3 314.429 2.327 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccc3ccccc3c2)CC1 ZINC001483786176 1079120324 /nfs/dbraw/zinc/12/03/24/1079120324.db2.gz OKQFXOXODALIGV-UHFFFAOYSA-N 0 3 322.408 2.342 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)OCc1ccncc1 ZINC001481058758 1079137864 /nfs/dbraw/zinc/13/78/64/1079137864.db2.gz ORYHELOQSYWRPG-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCC)OCC ZINC001483811412 1079135370 /nfs/dbraw/zinc/13/53/70/1079135370.db2.gz LVVIWVGTYGGTHH-IXDOHACOSA-N 0 3 306.450 2.280 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)OCC3CC3)C2)C1 ZINC001483830921 1079140803 /nfs/dbraw/zinc/14/08/03/1079140803.db2.gz PWSLJINRWNEGAO-VQIMIIECSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CSC(C)C)C2)CC1 ZINC001483835506 1079143526 /nfs/dbraw/zinc/14/35/26/1079143526.db2.gz QQPPEGLXCOGHKZ-UHFFFAOYSA-N 0 3 308.491 2.466 20 30 DEEDHN C#CCOCCC(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001483835878 1079144253 /nfs/dbraw/zinc/14/42/53/1079144253.db2.gz UUEMVRMMZDPCCS-MRXNPFEDSA-N 0 3 324.440 2.089 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCOc1ccc(OC)cc1 ZINC001481071649 1079153619 /nfs/dbraw/zinc/15/36/19/1079153619.db2.gz VIJJJGNYIKYZJP-HNNXBMFYSA-N 0 3 318.417 2.231 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@@H](C)CCC)C2)CC1 ZINC001483975535 1079221230 /nfs/dbraw/zinc/22/12/30/1079221230.db2.gz DFKKCXZLOWQYDN-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001481121106 1079217467 /nfs/dbraw/zinc/21/74/67/1079217467.db2.gz SXXCLRFRYPFTHX-SJORKVTESA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C(=O)c1cc(C#N)c[nH]1)C1CCN(CC=C(C)C)CC1 ZINC001483982509 1079224651 /nfs/dbraw/zinc/22/46/51/1079224651.db2.gz WQYPUJZNTLNJBD-UHFFFAOYSA-N 0 3 324.428 2.392 20 30 DEEDHN C#CCN(C(=O)c1ccc(C)c(C)n1)C1CCN(CC=C)CC1 ZINC001483984177 1079225701 /nfs/dbraw/zinc/22/57/01/1079225701.db2.gz TUEBXJXOYJNIMF-UHFFFAOYSA-N 0 3 311.429 2.424 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCC[C@@H]1CCC)C1CCN(CCO)CC1 ZINC001483984459 1079226369 /nfs/dbraw/zinc/22/63/69/1079226369.db2.gz ZSXDIUICHHSZQS-WMZOPIPTSA-N 0 3 320.477 2.121 20 30 DEEDHN C#CCN(C(=O)c1cn(C(C)C)cn1)C1CCN(CC=C)CC1 ZINC001483985670 1079227215 /nfs/dbraw/zinc/22/72/15/1079227215.db2.gz GAYKXRJCMCZDOX-UHFFFAOYSA-N 0 3 314.433 2.190 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](OCC)C1CC1)C2 ZINC001484021067 1079246871 /nfs/dbraw/zinc/24/68/71/1079246871.db2.gz XSYHEQKGOBKRIO-PKOBYXMFSA-N 0 3 318.461 2.139 20 30 DEEDHN CCn1nccc1[C@@H]1OCCC[C@@H]1C=Nn1c(C)nnc1C ZINC001552453410 1074579794 /nfs/dbraw/zinc/57/97/94/1074579794.db2.gz OHZKWKJPVOOAID-UKRRQHHQSA-N 0 3 302.382 2.113 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@](C)(CNCc2cnns2)C1 ZINC001484108021 1079308492 /nfs/dbraw/zinc/30/84/92/1079308492.db2.gz MUBPSTIIPYTIAY-CZUORRHYSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(COC)o2)C1 ZINC001484163598 1079337527 /nfs/dbraw/zinc/33/75/27/1079337527.db2.gz SHSLZRNGTDZEII-KRWDZBQOSA-N 0 3 306.406 2.444 20 30 DEEDHN CSc1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1C#N ZINC001647395865 1074912061 /nfs/dbraw/zinc/91/20/61/1074912061.db2.gz YBFVYNGJGVYUNA-NWDGAFQWSA-N 0 3 318.446 2.172 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC001647451719 1074931806 /nfs/dbraw/zinc/93/18/06/1074931806.db2.gz CUNVTOYJKRHLGQ-MRXNPFEDSA-N 0 3 315.461 2.452 20 30 DEEDHN N#Cc1cncc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC001647453908 1074932449 /nfs/dbraw/zinc/93/24/49/1074932449.db2.gz YJRFIPNINLAUHP-HNNXBMFYSA-N 0 3 308.389 2.328 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2cn(C)nc2C)C1 ZINC001484170691 1079342761 /nfs/dbraw/zinc/34/27/61/1079342761.db2.gz WHKUHCMSLKKSRT-GOSISDBHSA-N 0 3 318.465 2.065 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)COCc2ccncc2)C1 ZINC001484171887 1079344076 /nfs/dbraw/zinc/34/40/76/1079344076.db2.gz DXBCJPGHTQOESR-GOSISDBHSA-N 0 3 317.433 2.003 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc(C(C)(C)C)nc1 ZINC001556466768 1075032732 /nfs/dbraw/zinc/03/27/32/1075032732.db2.gz LUOWVVRNQQHYPD-UHFFFAOYSA-N 0 3 304.438 2.354 20 30 DEEDHN C=C(CC)CNC(=O)Cc1csc(SCCN(C)C)n1 ZINC001557022296 1075053057 /nfs/dbraw/zinc/05/30/57/1075053057.db2.gz HAVZFEMBWMDWBJ-UHFFFAOYSA-N 0 3 313.492 2.422 20 30 DEEDHN C=CCN(C)CCN(CC)c1nc2ccccn2c1[N+](=O)[O-] ZINC001559223314 1075115741 /nfs/dbraw/zinc/11/57/41/1075115741.db2.gz GETHBAMZSWFMFS-UHFFFAOYSA-N 0 3 303.366 2.187 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001566034182 1075159750 /nfs/dbraw/zinc/15/97/50/1075159750.db2.gz LKXMUCLYMUNGIO-CHWSQXEVSA-N 0 3 322.371 2.046 20 30 DEEDHN C=CCCC(=O)NCC1CN(CCc2ccc(OC)cc2)C1 ZINC001267676081 1079364692 /nfs/dbraw/zinc/36/46/92/1079364692.db2.gz BZAAJIMZUDSVNW-UHFFFAOYSA-N 0 3 302.418 2.252 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001566030148 1075217940 /nfs/dbraw/zinc/21/79/40/1075217940.db2.gz BUGZPOHIRGSBMO-QGZVFWFLSA-N 0 3 306.450 2.348 20 30 DEEDHN CC(C)C(=O)N(C)CCOCCN(C)Cc1ccc(C#N)cc1 ZINC001566056844 1075221616 /nfs/dbraw/zinc/22/16/16/1075221616.db2.gz CSWRYXGGIHKZBX-UHFFFAOYSA-N 0 3 317.433 2.121 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(N(C)C)nc1 ZINC001566121842 1075231838 /nfs/dbraw/zinc/23/18/38/1075231838.db2.gz YYGQBBBUHHWZEX-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCC(=O)N1CCC(N(CCO)CCC(F)(F)F)CC1 ZINC001566132756 1075235152 /nfs/dbraw/zinc/23/51/52/1075235152.db2.gz LAXNPARULCQISV-UHFFFAOYSA-N 0 3 322.371 2.190 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001566518521 1075268702 /nfs/dbraw/zinc/26/87/02/1075268702.db2.gz GWRSNBAEYAWKJF-UHFFFAOYSA-N 0 3 316.445 2.434 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CCC[C@H](F)C1)C1CC1 ZINC001566587914 1075289738 /nfs/dbraw/zinc/28/97/38/1075289738.db2.gz XUDCOWDSJMOJDM-HOTGVXAUSA-N 0 3 324.440 2.135 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccn(C(C)C)n1)C1CC1 ZINC001566598408 1075293226 /nfs/dbraw/zinc/29/32/26/1075293226.db2.gz JIJYTKBPPGSQIE-UHFFFAOYSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCc2ccc(OC)nc2)CC1 ZINC001566610846 1075296243 /nfs/dbraw/zinc/29/62/43/1075296243.db2.gz PCAWIMBWZLZUNH-UHFFFAOYSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC001566630225 1075300790 /nfs/dbraw/zinc/30/07/90/1075300790.db2.gz CMMGWKUUCMRCPQ-SJORKVTESA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cnns2)CC1 ZINC001566696530 1075318897 /nfs/dbraw/zinc/31/88/97/1075318897.db2.gz WFGZZZMPBHGMNI-UHFFFAOYSA-N 0 3 308.451 2.431 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H](C)CCOc2ccccc2)C1 ZINC001267701356 1079387710 /nfs/dbraw/zinc/38/77/10/1079387710.db2.gz ZVRBVMVYSGULKW-MRXNPFEDSA-N 0 3 314.429 2.163 20 30 DEEDHN C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)nc1C ZINC001566817502 1075351907 /nfs/dbraw/zinc/35/19/07/1075351907.db2.gz RHKIHPCNMSKOCJ-ALOPSCKCSA-N 0 3 316.449 2.306 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2(COC)CC2)C1 ZINC001566825066 1075354778 /nfs/dbraw/zinc/35/47/78/1075354778.db2.gz QOEGYHCGVZNRLM-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)C2(CCOCC)CCCC2)C1 ZINC001566879662 1075372872 /nfs/dbraw/zinc/37/28/72/1075372872.db2.gz RFRPVSPDPLZVDF-KRWDZBQOSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCC(=O)N(CC(C)C)C(C)C)C1 ZINC001567092038 1075430215 /nfs/dbraw/zinc/43/02/15/1075430215.db2.gz ULCWKPWBMRQWTM-INIZCTEOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001567139108 1075441957 /nfs/dbraw/zinc/44/19/57/1075441957.db2.gz UROPWIXAQJMQSK-OAHLLOKOSA-N 0 3 304.438 2.023 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001567195979 1075460751 /nfs/dbraw/zinc/46/07/51/1075460751.db2.gz GDPDTNPTSIIKAP-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1ccnc(OC)n1 ZINC001567225816 1075468178 /nfs/dbraw/zinc/46/81/78/1075468178.db2.gz YFOQDJWPVJRNCX-CYBMUJFWSA-N 0 3 320.437 2.072 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(C)Cc1ccc(Cl)cc1C ZINC001567281466 1075486597 /nfs/dbraw/zinc/48/65/97/1075486597.db2.gz OBRNLHWRSXUEIR-AWEZNQCLSA-N 0 3 322.836 2.235 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)C1=CCCC1 ZINC001481220035 1079428077 /nfs/dbraw/zinc/42/80/77/1079428077.db2.gz IKGGVGBOUWELER-UHFFFAOYSA-N 0 3 301.365 2.356 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H](F)C2)cc1 ZINC001650163461 1079430503 /nfs/dbraw/zinc/43/05/03/1079430503.db2.gz OVEBDMNQYYYQAD-KGLIPLIRSA-N 0 3 310.394 2.202 20 30 DEEDHN COCc1ccc(CN(C)[C@H](C)CNC(=O)C#CC2CC2)cc1 ZINC001329433535 1148894674 /nfs/dbraw/zinc/89/46/74/1148894674.db2.gz XRISJUNJKFNJEF-OAHLLOKOSA-N 0 3 314.429 2.183 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](OCC)C2CCCC2)C1 ZINC001267768521 1079472692 /nfs/dbraw/zinc/47/26/92/1079472692.db2.gz OVNMVDVUCGXBSB-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C(#Cc1ccccc1)C[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588379672 1076444196 /nfs/dbraw/zinc/44/41/96/1076444196.db2.gz LNWQFXDXTUUEST-UHFFFAOYSA-N 0 3 303.369 2.051 20 30 DEEDHN C[N@H+](CCc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591121763 1076709685 /nfs/dbraw/zinc/70/96/85/1076709685.db2.gz WLHMTDGFDILPAK-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591121763 1076709690 /nfs/dbraw/zinc/70/96/90/1076709690.db2.gz WLHMTDGFDILPAK-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN C[N@H+](CCc1cccc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591121763 1076709694 /nfs/dbraw/zinc/70/96/94/1076709694.db2.gz WLHMTDGFDILPAK-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591121763 1076709701 /nfs/dbraw/zinc/70/97/01/1076709701.db2.gz WLHMTDGFDILPAK-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN COc1cc(C[NH2+][C@H](C)CC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001591532726 1076754048 /nfs/dbraw/zinc/75/40/48/1076754048.db2.gz BMBPOTXZKXJQEJ-LLVKDONJSA-N 0 3 314.393 2.293 20 30 DEEDHN COc1cc(C[NH2+][C@H](C)CC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001591532726 1076754050 /nfs/dbraw/zinc/75/40/50/1076754050.db2.gz BMBPOTXZKXJQEJ-LLVKDONJSA-N 0 3 314.393 2.293 20 30 DEEDHN CC[N@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609224729 1077805972 /nfs/dbraw/zinc/80/59/72/1077805972.db2.gz UWFYWCURYGDHMP-QWHCGFSZSA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609224729 1077805980 /nfs/dbraw/zinc/80/59/80/1077805980.db2.gz UWFYWCURYGDHMP-QWHCGFSZSA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609224729 1077805990 /nfs/dbraw/zinc/80/59/90/1077805990.db2.gz UWFYWCURYGDHMP-QWHCGFSZSA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609224729 1077806000 /nfs/dbraw/zinc/80/60/00/1077806000.db2.gz UWFYWCURYGDHMP-QWHCGFSZSA-N 0 3 314.393 2.178 20 30 DEEDHN C=CCCC[NH2+][C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001267803454 1079505886 /nfs/dbraw/zinc/50/58/86/1079505886.db2.gz ABLSZVCMWMDHJP-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccns1)C2 ZINC001484320438 1079536861 /nfs/dbraw/zinc/53/68/61/1079536861.db2.gz ZAAMQHURRNCIFS-KKUMJFAQSA-N 0 3 317.458 2.416 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)CCOCC)C2)CC1 ZINC001484326051 1079540186 /nfs/dbraw/zinc/54/01/86/1079540186.db2.gz ZKXBKMQXJQQQOH-SFHVURJKSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)CCC(=O)N[C@](C)(CN[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001267853756 1079541726 /nfs/dbraw/zinc/54/17/26/1079541726.db2.gz QUYRSOIIBYKXJT-SJKOYZFVSA-N 0 3 319.453 2.405 20 30 DEEDHN CC(C)C#CC(=O)N[C@](C)(CNCc1ccc(F)cn1)C1CC1 ZINC001267852960 1079541826 /nfs/dbraw/zinc/54/18/26/1079541826.db2.gz HAZWTEXMSKOHJV-GOSISDBHSA-N 0 3 317.408 2.255 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@H](C)NCc2cn(C(C)C)nn2)C1 ZINC001484331321 1079545269 /nfs/dbraw/zinc/54/52/69/1079545269.db2.gz JUESEEAENBAHOF-LSDHHAIUSA-N 0 3 319.453 2.152 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3conc3CC)C[C@H]2C1 ZINC001484403777 1079593205 /nfs/dbraw/zinc/59/32/05/1079593205.db2.gz GMRXEYZWIJLBKD-OKILXGFUSA-N 0 3 303.406 2.093 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)COCCC)cc1 ZINC001272683512 1079625754 /nfs/dbraw/zinc/62/57/54/1079625754.db2.gz PWRSKDHHBHLHLX-HNNXBMFYSA-N 0 3 302.418 2.403 20 30 DEEDHN CN1CC[C@@]2(CCN(Cc3cccc(C#N)c3Cl)C2)C1=O ZINC001272683878 1079631253 /nfs/dbraw/zinc/63/12/53/1079631253.db2.gz FWCCGXCYZHMKLB-INIZCTEOSA-N 0 3 303.793 2.266 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](CCNCc2cc(F)ccc2F)C1 ZINC001484514330 1079637288 /nfs/dbraw/zinc/63/72/88/1079637288.db2.gz YWHHILGKIOZZJR-OLZOCXBDSA-N 0 3 321.371 2.453 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001484553190 1079657687 /nfs/dbraw/zinc/65/76/87/1079657687.db2.gz AOKMFSRINNZIGG-YOEHRIQHSA-N 0 3 302.418 2.346 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H](C)COC)cc1 ZINC001484563533 1079662273 /nfs/dbraw/zinc/66/22/73/1079662273.db2.gz PLMSPOJJCSBCHV-CABCVRRESA-N 0 3 302.418 2.259 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCC(C)=C(C)C2)CCC1 ZINC001484635353 1079693989 /nfs/dbraw/zinc/69/39/89/1079693989.db2.gz DZOWLAADHPINGC-QGZVFWFLSA-N 0 3 318.461 2.401 20 30 DEEDHN 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C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccn(C(C)C)n1 ZINC001485064386 1079943293 /nfs/dbraw/zinc/94/32/93/1079943293.db2.gz FCQNXOSMSVLANZ-MRXNPFEDSA-N 0 3 304.438 2.115 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1ccc(C)c(F)c1)[C@@H]1CCCO1 ZINC001654219338 1079958693 /nfs/dbraw/zinc/95/86/93/1079958693.db2.gz WFRACYMAGUGBEV-HOTGVXAUSA-N 0 3 304.365 2.233 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H](C)NC(=O)C1=CCCC1 ZINC001485134154 1079993159 /nfs/dbraw/zinc/99/31/59/1079993159.db2.gz CLXKBTFBXMDNDK-CABCVRRESA-N 0 3 321.465 2.004 20 30 DEEDHN Cc1nc2sc3c(c2c(NCC#CCN(C)C)n1)CCC3 ZINC001655748787 1080016037 /nfs/dbraw/zinc/01/60/37/1080016037.db2.gz YAMQVAMLHYSFAF-UHFFFAOYSA-N 0 3 300.431 2.465 20 30 DEEDHN C[C@@H](NC(=O)Cc1ccoc1)[C@H](C)NCc1ccc(C#N)s1 ZINC001485138981 1080024714 /nfs/dbraw/zinc/02/47/14/1080024714.db2.gz SFMSDWMSHUEKLY-NWDGAFQWSA-N 0 3 317.414 2.438 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccnc(O[C@@H](C)CC)c2)CCC1 ZINC001673226656 1080032878 /nfs/dbraw/zinc/03/28/78/1080032878.db2.gz 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DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cccnn2)C1 ZINC001268225418 1080206589 /nfs/dbraw/zinc/20/65/89/1080206589.db2.gz FHGIPMFVOMXWSL-HNNXBMFYSA-N 0 3 302.422 2.417 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc(F)ccc1C ZINC001268244179 1080227318 /nfs/dbraw/zinc/22/73/18/1080227318.db2.gz YQLBWLVRFAXTON-UHFFFAOYSA-N 0 3 308.397 2.341 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001481672261 1080283235 /nfs/dbraw/zinc/28/32/35/1080283235.db2.gz XTJBZJJKGXVTNU-NJAFHUGGSA-N 0 3 316.445 2.200 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)cc1 ZINC001481680998 1080289192 /nfs/dbraw/zinc/28/91/92/1080289192.db2.gz TUTIEKZAGATYOR-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)c[nH]c1=O ZINC001481679626 1080293495 /nfs/dbraw/zinc/29/34/95/1080293495.db2.gz JJNIOSWFGHKZSQ-GJZGRUSLSA-N 0 3 315.417 2.215 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC ZINC001481678862 1080294670 /nfs/dbraw/zinc/29/46/70/1080294670.db2.gz 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1080418842 /nfs/dbraw/zinc/41/88/42/1080418842.db2.gz OVNHUAMZAFRJHG-OAHLLOKOSA-N 0 3 318.465 2.445 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001481743126 1080424495 /nfs/dbraw/zinc/42/44/95/1080424495.db2.gz BESNEHWQRGFGOI-HZPDHXFCSA-N 0 3 320.433 2.427 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001481747088 1080429676 /nfs/dbraw/zinc/42/96/76/1080429676.db2.gz LSKWWSVPAPAXON-ROUUACIJSA-N 0 3 315.461 2.398 20 30 DEEDHN O=C(NC[C@H](NCC#Cc1ccccc1)C1CC1)c1ccc[nH]1 ZINC001661106135 1080442294 /nfs/dbraw/zinc/44/22/94/1080442294.db2.gz DZANODBGXBXMIM-SFHVURJKSA-N 0 3 307.397 2.164 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cscn1 ZINC001661267107 1080465828 /nfs/dbraw/zinc/46/58/28/1080465828.db2.gz KRSUFUAOGIKZNA-GASCZTMLSA-N 0 3 305.447 2.327 20 30 DEEDHN Cc1cocc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661460206 1080483523 /nfs/dbraw/zinc/48/35/23/1080483523.db2.gz PDUNDJYFKVUZBX-QAQDUYKDSA-N 0 3 308.381 2.490 20 30 DEEDHN 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C[C@H]1CCCC[C@]1(CNCCF)NC(=O)c1c[nH]c(C#N)c1 ZINC001269666809 1081324535 /nfs/dbraw/zinc/32/45/35/1081324535.db2.gz YWDSUNPQBGBDKD-BLLLJJGKSA-N 0 3 306.385 2.124 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001269685635 1081332865 /nfs/dbraw/zinc/33/28/65/1081332865.db2.gz JORNQJFDQYGZMY-RDJZCZTQSA-N 0 3 308.491 2.323 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnn(CCC)c1C ZINC001668254346 1081333045 /nfs/dbraw/zinc/33/30/45/1081333045.db2.gz NDKBHMPTFOGASX-GFCCVEGCSA-N 0 3 312.845 2.452 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC001006457443 1081346932 /nfs/dbraw/zinc/34/69/32/1081346932.db2.gz XXCOXGNJXXODDF-UHFFFAOYSA-N 0 3 315.373 2.256 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001269744398 1081352715 /nfs/dbraw/zinc/35/27/15/1081352715.db2.gz CLKVKAZPLFPJOC-DOTOQJQBSA-N 0 3 312.429 2.252 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1oncc1C ZINC001668605160 1081373041 /nfs/dbraw/zinc/37/30/41/1081373041.db2.gz 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C=C(Cl)CNCCCN(C)C(=O)c1ncoc1-c1ccon1 ZINC001670313312 1081510288 /nfs/dbraw/zinc/51/02/88/1081510288.db2.gz WOGIMLVSIYAZPN-UHFFFAOYSA-N 0 3 324.768 2.134 20 30 DEEDHN C#CCN(C(=O)c1c[nH]c(C#N)c1)C1CCN(CC=C(C)C)CC1 ZINC001671469052 1081517873 /nfs/dbraw/zinc/51/78/73/1081517873.db2.gz BALRPLBYJLKWBO-UHFFFAOYSA-N 0 3 324.428 2.392 20 30 DEEDHN C#CCN(C(=O)CCC=C)C1CCN(CCOC2CCC2)CC1 ZINC001671460434 1081518131 /nfs/dbraw/zinc/51/81/31/1081518131.db2.gz CGSMPASWRRFKBJ-UHFFFAOYSA-N 0 3 318.461 2.448 20 30 DEEDHN CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H](C1)O2 ZINC001270500698 1081538476 /nfs/dbraw/zinc/53/84/76/1081538476.db2.gz BWMHCCBXOFNBRP-VQHPVUNQSA-N 0 3 321.465 2.274 20 30 DEEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)C[C@H](C)CCC)CC2)C1 ZINC001270520190 1081542234 /nfs/dbraw/zinc/54/22/34/1081542234.db2.gz KYJOOAYIJDTWTK-QZTJIDSGSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CN(C[C@H](C)OC)CCC1(F)F ZINC001671969195 1081554589 /nfs/dbraw/zinc/55/45/89/1081554589.db2.gz 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/nfs/dbraw/zinc/60/27/69/1081602769.db2.gz FMWYTCWSQGEKOA-KRWDZBQOSA-N 0 3 322.474 2.200 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cccc1 ZINC001672543544 1081610592 /nfs/dbraw/zinc/61/05/92/1081610592.db2.gz LHQOCQYGMJJWBQ-QZTJIDSGSA-N 0 3 313.445 2.357 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001672885606 1081718010 /nfs/dbraw/zinc/71/80/10/1081718010.db2.gz PEDARFAGQFKDQQ-OAHLLOKOSA-N 0 3 309.841 2.459 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NCCC)CC1 ZINC001482327247 1081720760 /nfs/dbraw/zinc/72/07/60/1081720760.db2.gz JINOPHJMEQLCGW-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCNC1(CNC(=O)c2cccc([C@H]3CCOC3)c2)CCC1 ZINC001673180599 1081745078 /nfs/dbraw/zinc/74/50/78/1081745078.db2.gz MVGAXZARJIXSCF-KRWDZBQOSA-N 0 3 312.413 2.066 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@H](CNC[C@H](F)CC)C2)CCC1 ZINC001673310659 1081753879 /nfs/dbraw/zinc/75/38/79/1081753879.db2.gz MZFAPRCCLZSNEA-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001673496645 1081776175 /nfs/dbraw/zinc/77/61/75/1081776175.db2.gz POSDCRAKSZRIMX-ROUUACIJSA-N 0 3 320.477 2.385 20 30 DEEDHN CCCC(=O)N1CCC[C@H]([C@@H]2CCCN(CC#CCOC)C2)C1 ZINC001673496825 1081776675 /nfs/dbraw/zinc/77/66/75/1081776675.db2.gz SUJOTXLUSMYYGR-MSOLQXFVSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCC(=O)N1CCC(CC)(NCc2nccn2C)CC1 ZINC001673583348 1081782724 /nfs/dbraw/zinc/78/27/24/1081782724.db2.gz BMFCWKKLUVGIID-UHFFFAOYSA-N 0 3 304.438 2.247 20 30 DEEDHN C=CCCC(=O)N1C[C@H](NCc2cccc(OCC)n2)[C@@H](C)C1 ZINC001673854997 1081802650 /nfs/dbraw/zinc/80/26/50/1081802650.db2.gz OZLIEDHGRMREBJ-HOCLYGCPSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(C)(NCc2nnc(C)[nH]2)CC1 ZINC001673958736 1081818619 /nfs/dbraw/zinc/81/86/19/1081818619.db2.gz IXKGKAGQRTYNCZ-UHFFFAOYSA-N 0 3 319.453 2.186 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)C1CC=CC1 ZINC001493503300 1081827422 /nfs/dbraw/zinc/82/74/22/1081827422.db2.gz PEOCGLIYYQIQMJ-UHFFFAOYSA-N 0 3 301.365 2.212 20 30 DEEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)Nc1ccccc1 ZINC001270914469 1081836664 /nfs/dbraw/zinc/83/66/64/1081836664.db2.gz PUGLVRUNRRXZFM-HUUCEWRRSA-N 0 3 317.433 2.416 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCC[C@@H]1CC ZINC001270915118 1081837266 /nfs/dbraw/zinc/83/72/66/1081837266.db2.gz ULYUVZFICUCVQJ-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C[C@@H]1C ZINC001674142536 1081845529 /nfs/dbraw/zinc/84/55/29/1081845529.db2.gz UGCYZXJACPNCMZ-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C[C@@H]1C ZINC001674142536 1081845533 /nfs/dbraw/zinc/84/55/33/1081845533.db2.gz UGCYZXJACPNCMZ-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001674319094 1081859637 /nfs/dbraw/zinc/85/96/37/1081859637.db2.gz GHTOMDXTKVDQCC-OSYLJGHBSA-N 0 3 320.477 2.332 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC1CCCC1 ZINC001270978107 1081863104 /nfs/dbraw/zinc/86/31/04/1081863104.db2.gz YCLFCRGCPMUSPC-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1scnc1C ZINC001674434952 1081869888 /nfs/dbraw/zinc/86/98/88/1081869888.db2.gz LQHKTUALTKWYBV-CQSZACIVSA-N 0 3 323.462 2.191 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCF)C2)CCOCC1 ZINC001266248443 1081915152 /nfs/dbraw/zinc/91/51/52/1081915152.db2.gz MCBCSWZDCQZXOQ-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC001671436598 1081931649 /nfs/dbraw/zinc/93/16/49/1081931649.db2.gz AJIPBILSKDYDPO-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001266316280 1081966152 /nfs/dbraw/zinc/96/61/52/1081966152.db2.gz ZFRRWRNZHZNAKO-UHFFFAOYSA-N 0 3 301.390 2.032 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001271201987 1081988379 /nfs/dbraw/zinc/98/83/79/1081988379.db2.gz YSYUSHZRFSUCCJ-SFHVURJKSA-N 0 3 320.433 2.238 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cn(C(C)C)nn2)[C@@H](C)C1 ZINC001271373652 1082022557 /nfs/dbraw/zinc/02/25/57/1082022557.db2.gz FWVJMWXPMQQGOG-GOEBONIOSA-N 0 3 319.453 2.152 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001266442156 1082041189 /nfs/dbraw/zinc/04/11/89/1082041189.db2.gz ADXBEGCVMWCWAU-MRXNPFEDSA-N 0 3 306.381 2.223 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001266461671 1082051625 /nfs/dbraw/zinc/05/16/25/1082051625.db2.gz UDBOHPBQQLXOJN-MRXNPFEDSA-N 0 3 320.458 2.177 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2cnns2)C1 ZINC001271491504 1082062561 /nfs/dbraw/zinc/06/25/61/1082062561.db2.gz RYRQPMZTGOBGHB-QWHCGFSZSA-N 0 3 308.451 2.221 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cnsn1 ZINC001271486133 1082064210 /nfs/dbraw/zinc/06/42/10/1082064210.db2.gz OLNNSLGRDGIYRS-NSHDSACASA-N 0 3 314.842 2.265 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2cnns2)C1 ZINC001271520592 1082070571 /nfs/dbraw/zinc/07/05/71/1082070571.db2.gz NJKIRQJVLMUIQZ-QWHCGFSZSA-N 0 3 308.451 2.221 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001266525083 1082108563 /nfs/dbraw/zinc/10/85/63/1082108563.db2.gz CKVLNNNCRPOZHG-KRWDZBQOSA-N 0 3 310.441 2.488 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)NC(C)(C)C ZINC001271697195 1082110434 /nfs/dbraw/zinc/11/04/34/1082110434.db2.gz YJZVVDRRUMILQS-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN(CCOCC(F)F)C2)C1 ZINC001266535349 1082128211 /nfs/dbraw/zinc/12/82/11/1082128211.db2.gz ZDTCJZMTKLBDPR-CYBMUJFWSA-N 0 3 316.392 2.063 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001266544871 1082139909 /nfs/dbraw/zinc/13/99/09/1082139909.db2.gz KIBSIUMXFHZOKD-GFCCVEGCSA-N 0 3 304.356 2.426 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1CCC(F)(F)F ZINC001502903043 1082150118 /nfs/dbraw/zinc/15/01/18/1082150118.db2.gz LJEGVLYBEYMTFU-MNOVXSKESA-N 0 3 323.384 2.165 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(Cl)c(Cl)n1C ZINC001266562864 1082161181 /nfs/dbraw/zinc/16/11/81/1082161181.db2.gz RQIJLNSRXZGFFC-UHFFFAOYSA-N 0 3 316.232 2.407 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001266562468 1082161194 /nfs/dbraw/zinc/16/11/94/1082161194.db2.gz DGMNTXSVSMTKDX-SFHVURJKSA-N 0 3 313.445 2.117 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001271885392 1082180119 /nfs/dbraw/zinc/18/01/19/1082180119.db2.gz ONNICDJQPDKJKL-JSGCOSHPSA-N 0 3 320.437 2.189 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](NCc2n[nH]c(C)n2)C(C)C)CC1 ZINC001271891046 1082182486 /nfs/dbraw/zinc/18/24/86/1082182486.db2.gz BOEFDMUAVHZGIQ-OAHLLOKOSA-N 0 3 319.453 2.090 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2cncn2C)C(C)C)C1 ZINC001271893525 1082183244 /nfs/dbraw/zinc/18/32/44/1082183244.db2.gz QHKMEPHZFXNCBR-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)C1CCCC1 ZINC001266625514 1082229669 /nfs/dbraw/zinc/22/96/69/1082229669.db2.gz 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C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CNCc2cnns2)C1 ZINC001266804865 1082356958 /nfs/dbraw/zinc/35/69/58/1082356958.db2.gz QALPZDLYPPZVQR-KBPBESRZSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCC1(C(=O)N(C)CCN[C@H](C)C(=O)NC(C)(C)C)CCC1 ZINC001266828156 1082375813 /nfs/dbraw/zinc/37/58/13/1082375813.db2.gz PCBDHDUZZNZYET-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001266856401 1082400258 /nfs/dbraw/zinc/40/02/58/1082400258.db2.gz QKMKMIZIPSTDLQ-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN C[C@@H](CNC(=O)CSCC#N)N[C@@H](C)c1ccccc1F ZINC001266924140 1082454927 /nfs/dbraw/zinc/45/49/27/1082454927.db2.gz WPDPEFJALUXTRA-RYUDHWBXSA-N 0 3 309.410 2.238 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001266941404 1082465676 /nfs/dbraw/zinc/46/56/76/1082465676.db2.gz CXECGZPDGWEIPV-LBPRGKRZSA-N 0 3 318.421 2.010 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001266951000 1082470707 /nfs/dbraw/zinc/47/07/07/1082470707.db2.gz REDCYKPSFKTNAR-KBAYOESNSA-N 0 3 320.477 2.337 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](O)CNCc1cc(C)ccc1F ZINC001482772703 1082503034 /nfs/dbraw/zinc/50/30/34/1082503034.db2.gz IMUSIFWPSCFHEZ-OAHLLOKOSA-N 0 3 322.424 2.303 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nnn(C(C)C)c1C ZINC001482882154 1082544171 /nfs/dbraw/zinc/54/41/71/1082544171.db2.gz GIJQVNBGBWRGEZ-LLVKDONJSA-N 0 3 313.833 2.018 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(-c2ccccc2)on1 ZINC001482937562 1082568975 /nfs/dbraw/zinc/56/89/75/1082568975.db2.gz FWJNQGTXFJVAAY-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN(C)CCOCC(F)F)C1 ZINC001272105962 1082584850 /nfs/dbraw/zinc/58/48/50/1082584850.db2.gz RAPNADWLOZDJLL-UHFFFAOYSA-N 0 3 304.381 2.015 20 30 DEEDHN CC(C)C#CC(=O)NC/C=C/CNCc1ccnc(Cl)c1 ZINC001483006354 1082620329 /nfs/dbraw/zinc/62/03/29/1082620329.db2.gz RIXMNQDODWRMIV-ONEGZZNKSA-N 0 3 305.809 2.156 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)c1cccc2n[n-]nc21 ZINC001483012590 1082624676 /nfs/dbraw/zinc/62/46/76/1082624676.db2.gz OZJAGQHGYINQQJ-URWSZGRFSA-N 0 3 313.405 2.188 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001483063646 1082682505 /nfs/dbraw/zinc/68/25/05/1082682505.db2.gz DGVHPXMQNBRUCY-SNAWJCMRSA-N 0 3 308.784 2.307 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1cnc(CC(C)(C)C)s1 ZINC001483081170 1082695763 /nfs/dbraw/zinc/69/57/63/1082695763.db2.gz WVRVFODPSYZOOW-SREVYHEPSA-N 0 3 305.447 2.241 20 30 DEEDHN Cc1ocnc1C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001409304330 1082755310 /nfs/dbraw/zinc/75/53/10/1082755310.db2.gz MEHVGQVFQFNDPV-ZJUUUORDSA-N 0 3 318.402 2.213 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001483157590 1082782093 /nfs/dbraw/zinc/78/20/93/1082782093.db2.gz SKJNOJRXJVDCIP-CYBMUJFWSA-N 0 3 306.454 2.445 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1cscn1 ZINC001272259722 1082820744 /nfs/dbraw/zinc/82/07/44/1082820744.db2.gz BKWFLRJMGMZBSZ-HIFRSBDPSA-N 0 3 305.447 2.321 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1cscn1 ZINC001272259721 1082820808 /nfs/dbraw/zinc/82/08/08/1082820808.db2.gz BKWFLRJMGMZBSZ-DZGCQCFKSA-N 0 3 305.447 2.321 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483220286 1082823216 /nfs/dbraw/zinc/82/32/16/1082823216.db2.gz RAEANNUVJCAFCG-GXFFZTMASA-N 0 3 311.476 2.356 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001409532629 1082940750 /nfs/dbraw/zinc/94/07/50/1082940750.db2.gz XYXZSDXYEZJYMI-ZIAGYGMSSA-N 0 3 319.474 2.494 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001483255984 1083059216 /nfs/dbraw/zinc/05/92/16/1083059216.db2.gz SEEAZBXCULWQSB-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN N#Cc1ccc(CN2CCN3CC[C@H]3C2)c(Br)c1 ZINC001137640348 1083364252 /nfs/dbraw/zinc/36/42/52/1083364252.db2.gz YYPHAEPJIRXDMY-ZDUSSCGKSA-N 0 3 306.207 2.211 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001077593802 1083405917 /nfs/dbraw/zinc/40/59/17/1083405917.db2.gz HIFUNYVMSMBURS-QZTJIDSGSA-N 0 3 316.445 2.380 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001281138048 1083491882 /nfs/dbraw/zinc/49/18/82/1083491882.db2.gz ORZZWRDRGYVSKS-MJGOQNOKSA-N 0 3 318.461 2.089 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCC3CCCC3)C[C@H]2O)C1 ZINC001077641665 1083526885 /nfs/dbraw/zinc/52/68/85/1083526885.db2.gz AHZGCZUJDDUZLL-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001281184670 1083544124 /nfs/dbraw/zinc/54/41/24/1083544124.db2.gz MZHULKIVGMXZDY-AEFFLSMTSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001276854232 1083648316 /nfs/dbraw/zinc/64/83/16/1083648316.db2.gz RVRCBSPMDVKXTC-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001276885162 1083663267 /nfs/dbraw/zinc/66/32/67/1083663267.db2.gz GCVTWSOHHMOMKI-HPFXQQBRSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001276941839 1083691544 /nfs/dbraw/zinc/69/15/44/1083691544.db2.gz QYBPSRYJKYHLBR-SWLSCSKDSA-N 0 3 304.438 2.287 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC001276942243 1083692409 /nfs/dbraw/zinc/69/24/09/1083692409.db2.gz UXAIXYGOZMCIBK-WFASDCNBSA-N 0 3 302.422 2.252 20 30 DEEDHN Cc1cccc(N2CC3(C2)CCN(Cc2cc(C#N)n(C)c2)C3)n1 ZINC001276980496 1083715273 /nfs/dbraw/zinc/71/52/73/1083715273.db2.gz ACRHWRDGWOTOLB-UHFFFAOYSA-N 0 3 321.428 2.313 20 30 DEEDHN N#Cc1cc(F)cc(CN2CC[C@]3(CCC[C@H]3C(N)=O)C2)c1 ZINC001277127038 1083789553 /nfs/dbraw/zinc/78/95/53/1083789553.db2.gz WXLCLQSETYTAOS-DOTOQJQBSA-N 0 3 301.365 2.175 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCNCc1ccncc1Cl ZINC001277147239 1083808776 /nfs/dbraw/zinc/80/87/76/1083808776.db2.gz BCHDNAHKPDLGCJ-RYUDHWBXSA-N 0 3 308.813 2.269 20 30 DEEDHN N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NCc2ccco2)CCC1 ZINC001277399345 1083947894 /nfs/dbraw/zinc/94/78/94/1083947894.db2.gz KKRLHOAHXLUIBS-BFJAYTPKSA-N 0 3 313.401 2.346 20 30 DEEDHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)[nH]1 ZINC001272763118 1083962706 /nfs/dbraw/zinc/96/27/06/1083962706.db2.gz FKKGMFDQHWKHKK-HZPDHXFCSA-N 0 3 300.406 2.192 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272767320 1083988216 /nfs/dbraw/zinc/98/82/16/1083988216.db2.gz ZUXKOQXPMCSFSL-MRXNPFEDSA-N 0 3 312.413 2.052 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccncc3F)C2)C1=O ZINC001272771810 1084002901 /nfs/dbraw/zinc/00/29/01/1084002901.db2.gz MPSRCRWOFXLGQF-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001272772295 1084003042 /nfs/dbraw/zinc/00/30/42/1084003042.db2.gz DUCOZAVHCQCWLN-GFCCVEGCSA-N 0 3 315.255 2.429 20 30 DEEDHN COCC#CCN1CC[C@@]2(CCN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001277509807 1084009990 /nfs/dbraw/zinc/00/99/90/1084009990.db2.gz POQBUVWXNLXNFZ-QULHZPMSSA-N 0 3 318.461 2.163 20 30 DEEDHN Cc1nc(C)c(CN2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001491103426 1084072520 /nfs/dbraw/zinc/07/25/20/1084072520.db2.gz VLUBNLHMOCVYHA-SMDDNHRTSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCc2cccc(OC)c2)C1 ZINC001491111354 1084078382 /nfs/dbraw/zinc/07/83/82/1084078382.db2.gz OCUUHAOJAOVXOZ-KRWDZBQOSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](CNCc2ccn(C)n2)C1 ZINC001491152036 1084113347 /nfs/dbraw/zinc/11/33/47/1084113347.db2.gz KTIOIEBIOSMGKB-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C[C@H]1CCCCO1 ZINC001491198746 1084145894 /nfs/dbraw/zinc/14/58/94/1084145894.db2.gz KYGDDJXRXAGBDQ-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001277845676 1084171615 /nfs/dbraw/zinc/17/16/15/1084171615.db2.gz MOCWZMDAAYOPPP-LJQANCHMSA-N 0 3 308.425 2.422 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001277870359 1084185119 /nfs/dbraw/zinc/18/51/19/1084185119.db2.gz DUSOQTYZUSLWQH-UKRRQHHQSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001491279364 1084202211 /nfs/dbraw/zinc/20/22/11/1084202211.db2.gz DMOLYDKWQOEAAD-ZBFHGGJFSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001491279736 1084202904 /nfs/dbraw/zinc/20/29/04/1084202904.db2.gz FSKVKYJELOAYKA-OLZOCXBDSA-N 0 3 322.371 2.358 20 30 DEEDHN N#CC1(NC(=O)[C@@]23C[C@@H]2CCN3CC2CCSCC2)CCC1 ZINC001277903087 1084224733 /nfs/dbraw/zinc/22/47/33/1084224733.db2.gz NMAFWWMQHPUREU-WMLDXEAASA-N 0 3 319.474 2.156 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CC3(COC)CC3)C2)CC1 ZINC001671050726 1084233129 /nfs/dbraw/zinc/23/31/29/1084233129.db2.gz YIFXFJUQZIYFDM-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(CC)n2)[C@H](OC)C1 ZINC001212414188 1084240908 /nfs/dbraw/zinc/24/09/08/1084240908.db2.gz GEGVKJGTZFYIDV-IAGOWNOFSA-N 0 3 317.433 2.039 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001277917469 1084279801 /nfs/dbraw/zinc/27/98/01/1084279801.db2.gz SDWBTEBQMSXYIC-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCN(C)Cc1cncc(C)c1 ZINC001235242990 1084355230 /nfs/dbraw/zinc/35/52/30/1084355230.db2.gz CDBMWYBYHDIEQH-MRXNPFEDSA-N 0 3 319.449 2.309 20 30 DEEDHN C(#Cc1ccc(CN2C[C@@H]3COC[C@H](C2)N3)cc1)c1ccccc1 ZINC001235296955 1084376290 /nfs/dbraw/zinc/37/62/90/1084376290.db2.gz BYUAYWJKKOLTMT-OYRHEFFESA-N 0 3 318.420 2.259 20 30 DEEDHN C[C@@H](CNC(=O)CCC(F)F)NCc1ccc(C#N)s1 ZINC001491535546 1084378200 /nfs/dbraw/zinc/37/82/00/1084378200.db2.gz ZHQCAQKQZUGGSK-VIFPVBQESA-N 0 3 301.362 2.259 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001235469737 1084440467 /nfs/dbraw/zinc/44/04/67/1084440467.db2.gz HKOBPCDDOLMHPE-ULQDDVLXSA-N 0 3 324.465 2.069 20 30 DEEDHN N#CCCCCN1C[C@@H]2[C@H](C1)OCCN2CCCC(F)(F)F ZINC001277948687 1084445799 /nfs/dbraw/zinc/44/57/99/1084445799.db2.gz MLUAPFLBUDPGLO-KGLIPLIRSA-N 0 3 319.371 2.408 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001078004142 1084483936 /nfs/dbraw/zinc/48/39/36/1084483936.db2.gz KFMHTCMLGWWIPT-QZTJIDSGSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2c[nH]cc2C)CC2(CCOCC2)C1 ZINC001089968017 1084669583 /nfs/dbraw/zinc/66/95/83/1084669583.db2.gz JNDDNAVYFXSBDI-HNNXBMFYSA-N 0 3 317.433 2.110 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C12CCC2 ZINC001078543014 1084743318 /nfs/dbraw/zinc/74/33/18/1084743318.db2.gz IFWIOJHUIMIGOJ-KBPBESRZSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccn2C)C12CCC2 ZINC001078559662 1084745990 /nfs/dbraw/zinc/74/59/90/1084745990.db2.gz ZZVVGAXFBIUINE-UONOGXRCSA-N 0 3 307.825 2.408 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cnnc(C)c2)C12CCC2 ZINC001078609793 1084767518 /nfs/dbraw/zinc/76/75/18/1084767518.db2.gz ZMUODXMIEUGSMK-KGLIPLIRSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC2=CCOCC2)C12CCC2 ZINC001078718509 1084843976 /nfs/dbraw/zinc/84/39/76/1084843976.db2.gz QYVYVXFJAXVACY-CABCVRRESA-N 0 3 324.852 2.493 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)[C@H]1C ZINC001486087220 1085051178 /nfs/dbraw/zinc/05/11/78/1085051178.db2.gz GZHMGOGNWGVTSX-PBHICJAKSA-N 0 3 317.408 2.493 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2cncc(F)c2)[C@H]1C ZINC001486087221 1085051402 /nfs/dbraw/zinc/05/14/02/1085051402.db2.gz GZHMGOGNWGVTSX-RHSMWYFYSA-N 0 3 317.408 2.493 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)NCCC(C)(C)C)[C@H]1C ZINC001486073939 1085059479 /nfs/dbraw/zinc/05/94/79/1085059479.db2.gz LDRAUDOPZAPUPX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)c2c(C)oc(C)c2C)C1 ZINC001486119185 1085075739 /nfs/dbraw/zinc/07/57/39/1085075739.db2.gz JDPWNZLGZPGZDN-WBMJQRKESA-N 0 3 318.417 2.047 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2cccnc2C)[C@@H]1C ZINC001486181310 1085109222 /nfs/dbraw/zinc/10/92/22/1085109222.db2.gz SJTAQBYDJQQJMD-DOTOQJQBSA-N 0 3 317.433 2.175 20 30 DEEDHN CCC[C@H](C)CC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001486228979 1085136921 /nfs/dbraw/zinc/13/69/21/1085136921.db2.gz REUQTQOTQAYGES-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)/C=C/C(C)(C)C)CC1(C)C ZINC001486229448 1085137048 /nfs/dbraw/zinc/13/70/48/1085137048.db2.gz WGTGFACFSLGGMC-FEAKQIBJSA-N 0 3 306.450 2.065 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1coc(CC)n1 ZINC000960256236 1085167491 /nfs/dbraw/zinc/16/74/91/1085167491.db2.gz BNOGZKQZQYRQTA-RHSMWYFYSA-N 0 3 311.385 2.408 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000960259969 1085169541 /nfs/dbraw/zinc/16/95/41/1085169541.db2.gz ZSUHSFSQJMYFQW-BRWVUGGUSA-N 0 3 300.402 2.113 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1nccc1C ZINC000960309529 1085191347 /nfs/dbraw/zinc/19/13/47/1085191347.db2.gz ADFKNEXQNXHUSO-IEBWSBKVSA-N 0 3 324.428 2.139 20 30 DEEDHN CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(OC)c(C#N)c1 ZINC000960338163 1085204331 /nfs/dbraw/zinc/20/43/31/1085204331.db2.gz WQMXOFVPDKDQCZ-INIZCTEOSA-N 0 3 315.417 2.400 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H](C)c1ccccc1C ZINC001486350918 1085212966 /nfs/dbraw/zinc/21/29/66/1085212966.db2.gz MURSTFRZFXWYFN-IRXDYDNUSA-N 0 3 318.461 2.426 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC000960502220 1085317242 /nfs/dbraw/zinc/31/72/42/1085317242.db2.gz MGSHXSLRPFAGMW-CJNGLKHVSA-N 0 3 303.381 2.408 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(C(F)(F)F)CC2)CC1 ZINC001486440272 1085324658 /nfs/dbraw/zinc/32/46/58/1085324658.db2.gz HQXRIKPICHZNJW-LLVKDONJSA-N 0 3 302.340 2.179 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960621626 1085387446 /nfs/dbraw/zinc/38/74/46/1085387446.db2.gz DELFJFMSEDRUKA-LJQANCHMSA-N 0 3 321.424 2.394 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)CCc2cn[nH]c2)c(F)c1 ZINC001486525504 1085408111 /nfs/dbraw/zinc/40/81/11/1085408111.db2.gz MRHQNBWZXXBHIF-UHFFFAOYSA-N 0 3 316.380 2.073 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2ccco2)on1 ZINC000961427116 1085730655 /nfs/dbraw/zinc/73/06/55/1085730655.db2.gz WMMOZIHKPQCEEK-ATCWAGBWSA-N 0 3 313.357 2.171 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)N(C(=O)CC)CC2 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KZESDWHICZBJJB-QGZVFWFLSA-N 0 3 319.449 2.276 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)COC)C1 ZINC000963198562 1086324929 /nfs/dbraw/zinc/32/49/29/1086324929.db2.gz ZOSMULKSTCISSO-UONOGXRCSA-N 0 3 300.830 2.088 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000963261917 1086358546 /nfs/dbraw/zinc/35/85/46/1086358546.db2.gz FGWSPRSFGPOPGR-DZGCQCFKSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000963261917 1086358558 /nfs/dbraw/zinc/35/85/58/1086358558.db2.gz FGWSPRSFGPOPGR-DZGCQCFKSA-N 0 3 322.840 2.479 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCCCC)C[C@@H]1n1ccnn1 ZINC001128821667 1086400179 /nfs/dbraw/zinc/40/01/79/1086400179.db2.gz WWWWNAZDIBETON-CVEARBPZSA-N 0 3 319.453 2.166 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000963301813 1086400418 /nfs/dbraw/zinc/40/04/18/1086400418.db2.gz KVJWSLBTFOZWMH-UONOGXRCSA-N 0 3 322.840 2.479 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2[nH]ccc2C2CC2)s1 ZINC001129082188 1086592124 /nfs/dbraw/zinc/59/21/24/1086592124.db2.gz DOPWXCWVXINEIN-UHFFFAOYSA-N 0 3 314.414 2.345 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001486986680 1087066664 /nfs/dbraw/zinc/06/66/64/1087066664.db2.gz SHGZUPUKZTVCFO-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cnccc3OCC)C2)C1=O ZINC001273187064 1087237636 /nfs/dbraw/zinc/23/76/36/1087237636.db2.gz FMCKOAOUUZPHHV-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001063371249 1087410750 /nfs/dbraw/zinc/41/07/50/1087410750.db2.gz AVQKMGPTCMOLDX-INIZCTEOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001063895537 1087502941 /nfs/dbraw/zinc/50/29/41/1087502941.db2.gz XRRVWDJWMQUXON-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN CCO[C@@H](CC(=O)NCCNCc1ccc(C#N)cc1)C(C)C ZINC001129317555 1087647518 /nfs/dbraw/zinc/64/75/18/1087647518.db2.gz QINNTPCYGBOVOY-KRWDZBQOSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ccc(OCC)cc1 ZINC001114515714 1088263838 /nfs/dbraw/zinc/26/38/38/1088263838.db2.gz JPRAMTURUGUGCK-DZFIZOCASA-N 0 3 314.429 2.250 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001079714135 1088378583 /nfs/dbraw/zinc/37/85/83/1088378583.db2.gz YAWBDDWKWZWMNX-UKRRQHHQSA-N 0 3 302.422 2.234 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001079870351 1088461207 /nfs/dbraw/zinc/46/12/07/1088461207.db2.gz LSQSZERSBPFXLO-DGCLKSJQSA-N 0 3 318.446 2.330 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114791350 1088505023 /nfs/dbraw/zinc/50/50/23/1088505023.db2.gz CJJMBTSMMBAJRY-FAJBIJEISA-N 0 3 320.477 2.452 20 30 DEEDHN C=C(C)CCC(=O)N1CC(N(CC)C(=O)C(C)(C)N(C)CC)C1 ZINC001079997245 1088542498 /nfs/dbraw/zinc/54/24/98/1088542498.db2.gz MHRIYJUYACPQPD-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN CCN(Cc1cc(C)no1)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957690619 1088548703 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C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000958267395 1088894983 /nfs/dbraw/zinc/89/49/83/1088894983.db2.gz NGOCTGRVFJREQK-ZBFHGGJFSA-N 0 3 322.836 2.247 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC000958304814 1088913470 /nfs/dbraw/zinc/91/34/70/1088913470.db2.gz URUCLCRRGDLSTL-XJKSGUPXSA-N 0 3 322.836 2.165 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2c(C)cc(F)cc2C)[C@H](O)C1 ZINC000958317364 1088917560 /nfs/dbraw/zinc/91/75/60/1088917560.db2.gz WMVXJHSBPZPKTB-GDBMZVCRSA-N 0 3 320.408 2.041 20 30 DEEDHN C=CCOCCN1CCCCC[C@@H]1CNC(=O)[C@H](F)CC ZINC001276319257 1088974236 /nfs/dbraw/zinc/97/42/36/1088974236.db2.gz JJDPROWYHYTWGQ-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)cc2Cl)C1 ZINC000958416838 1088975853 /nfs/dbraw/zinc/97/58/53/1088975853.db2.gz CICNQFAOSZQPNA-BBRMVZONSA-N 0 3 322.836 2.247 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001080541122 1089033508 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DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(OC)c2F)C1 ZINC001080820231 1089197534 /nfs/dbraw/zinc/19/75/34/1089197534.db2.gz WHWMZFUPTCLPQI-DGCLKSJQSA-N 0 3 322.355 2.047 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001081034645 1089296474 /nfs/dbraw/zinc/29/64/74/1089296474.db2.gz LWLYMEFIGRXROW-RHSMWYFYSA-N 0 3 301.434 2.379 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1c1ccccc1 ZINC001081109798 1089357860 /nfs/dbraw/zinc/35/78/60/1089357860.db2.gz FBRKJAMTXPEQJG-ZWKOTPCHSA-N 0 3 308.381 2.419 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1c1ccccc1 ZINC001081132129 1089362794 /nfs/dbraw/zinc/36/27/94/1089362794.db2.gz JJALKANCPWQJNW-ARFHVFGLSA-N 0 3 318.367 2.249 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1c1ccccc1 ZINC001081166541 1089364205 /nfs/dbraw/zinc/36/42/05/1089364205.db2.gz WTTRHVUVKUQLCK-DLBZAZTESA-N 0 3 308.381 2.419 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081160179 1089364337 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/nfs/dbraw/zinc/13/76/74/1090137674.db2.gz GPNSKYPNCMMIOO-LSDHHAIUSA-N 0 3 323.824 2.160 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCC3CCCCC3)C[C@@H]21 ZINC001083026962 1090145121 /nfs/dbraw/zinc/14/51/21/1090145121.db2.gz UFDLLGMUFRCMJL-HYVNUMGLSA-N 0 3 319.449 2.028 20 30 DEEDHN CCN(CCC#N)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001166592863 1090174278 /nfs/dbraw/zinc/17/42/78/1090174278.db2.gz FAAMIUFGJKJXCF-LBPRGKRZSA-N 0 3 315.377 2.165 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001083966591 1090187677 /nfs/dbraw/zinc/18/76/77/1090187677.db2.gz BSEYSPWZEMYACP-JQHSSLGASA-N 0 3 316.445 2.226 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(OC)c3)[C@@H]2C1 ZINC001084499753 1090310347 /nfs/dbraw/zinc/31/03/47/1090310347.db2.gz QRJCNIAKALTXLT-IAGOWNOFSA-N 0 3 312.413 2.173 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(F)ccc3C)[C@@H]2C1 ZINC001084557113 1090328633 /nfs/dbraw/zinc/32/86/33/1090328633.db2.gz QAXABIQNJXKRAB-RHSMWYFYSA-N 0 3 300.377 2.304 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC001084620596 1090346631 /nfs/dbraw/zinc/34/66/31/1090346631.db2.gz OHAIGHAPNRUMCI-SJLPKXTDSA-N 0 3 307.397 2.338 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3cc(F)ccc3F)[C@@H]2C1 ZINC001084616996 1090351671 /nfs/dbraw/zinc/35/16/71/1090351671.db2.gz GSAHYJUMADUTHD-CXAGYDPISA-N 0 3 318.367 2.063 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084706250 1090402322 /nfs/dbraw/zinc/40/23/22/1090402322.db2.gz NNXSLLFHOKWBRI-AKHDSKFASA-N 0 3 308.425 2.346 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC4CCC3CC4)[C@@H]2C1 ZINC001084856753 1090479952 /nfs/dbraw/zinc/47/99/52/1090479952.db2.gz UITZCYJQAFPBSR-NHHFINERSA-N 0 3 300.446 2.369 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)C[C@@H]21 ZINC001084971269 1090553875 /nfs/dbraw/zinc/55/38/75/1090553875.db2.gz WBNDMLOAYRKNBR-NXHRZFHOSA-N 0 3 311.429 2.131 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C[C@@H]21 ZINC001084984384 1090563213 /nfs/dbraw/zinc/56/32/13/1090563213.db2.gz UCARURZPXRHGNF-UWWQBHOKSA-N 0 3 312.413 2.099 20 30 DEEDHN C[C@@H](CN(C)C(=O)C1CCC1)NCc1ccc(F)c(C#N)c1 ZINC001410339404 1090564350 /nfs/dbraw/zinc/56/43/50/1090564350.db2.gz JJPLFZINZHRTIH-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)c3cccnc3)C[C@@H]21 ZINC001085049424 1090614364 /nfs/dbraw/zinc/61/43/64/1090614364.db2.gz ZFWXQDOBZMDQDF-JZXOWHBKSA-N 0 3 311.429 2.131 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001410437001 1090664045 /nfs/dbraw/zinc/66/40/45/1090664045.db2.gz KUCMRVNTRWXEDL-NSHDSACASA-N 0 3 306.797 2.366 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3cccnn3)CC2)C1=O ZINC001273269251 1090674078 /nfs/dbraw/zinc/67/40/78/1090674078.db2.gz VXLVSCYKCPNSGN-GOSISDBHSA-N 0 3 314.433 2.257 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285573 1090708788 /nfs/dbraw/zinc/70/87/88/1090708788.db2.gz SGLIDSBGDWCKCE-QGZVFWFLSA-N 0 3 304.365 2.142 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285573 1090708796 /nfs/dbraw/zinc/70/87/96/1090708796.db2.gz SGLIDSBGDWCKCE-QGZVFWFLSA-N 0 3 304.365 2.142 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccccc2CCC)CCO1 ZINC001273286449 1090709710 /nfs/dbraw/zinc/70/97/10/1090709710.db2.gz UDOSVKAXNVMAFE-KRWDZBQOSA-N 0 3 314.429 2.093 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3cccc(F)n3)CC2)C1=O ZINC001273299284 1090789713 /nfs/dbraw/zinc/78/97/13/1090789713.db2.gz DYMYKUIBWYYJSK-SFHVURJKSA-N 0 3 315.392 2.059 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(C)cc2Cl)CCO1 ZINC001273316141 1091017061 /nfs/dbraw/zinc/01/70/61/1091017061.db2.gz NVUOLSSVUFPCFJ-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@]23CCN(C)C3=O)c1[O-] ZINC001273360780 1091090296 /nfs/dbraw/zinc/09/02/96/1091090296.db2.gz WAOJKVSLQNHPOT-GOSISDBHSA-N 0 3 300.402 2.317 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c1[O-] ZINC001273360780 1091090302 /nfs/dbraw/zinc/09/03/02/1091090302.db2.gz WAOJKVSLQNHPOT-GOSISDBHSA-N 0 3 300.402 2.317 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)C(C)(C)C1 ZINC001274437214 1091242051 /nfs/dbraw/zinc/24/20/51/1091242051.db2.gz RYUPATKCAKRMOG-HOCLYGCPSA-N 0 3 318.465 2.230 20 30 DEEDHN Cc1cccnc1CN1CCC[C@H](NC(=O)C#CC2CC2)CC1 ZINC001273417041 1091311321 /nfs/dbraw/zinc/31/13/21/1091311321.db2.gz DFOWVMTXAARIGX-KRWDZBQOSA-N 0 3 311.429 2.274 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001274599239 1091317839 /nfs/dbraw/zinc/31/78/39/1091317839.db2.gz HFJYMADCUBVHST-IYKSTZQJSA-N 0 3 300.402 2.084 20 30 DEEDHN CCc1cc(CN2CCC3(C[C@@H]3C(=O)NC)CC2)ccc1C#N ZINC001274603101 1091321085 /nfs/dbraw/zinc/32/10/85/1091321085.db2.gz XCCWLIMFGLLRMR-QGZVFWFLSA-N 0 3 311.429 2.469 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(C#N)s3)C2)C1=O ZINC001274746298 1091394920 /nfs/dbraw/zinc/39/49/20/1091394920.db2.gz NPBQLTRZWFABLT-MRXNPFEDSA-N 0 3 301.415 2.230 20 30 DEEDHN N#Cc1cccc(CN2CC[C@]3(CCN(C4CCCC4)C3=O)C2)n1 ZINC001274794266 1091421523 /nfs/dbraw/zinc/42/15/23/1091421523.db2.gz ZBKLBZPZLVLAID-IBGZPJMESA-N 0 3 324.428 2.320 20 30 DEEDHN CCCCN1CC[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274793651 1091421539 /nfs/dbraw/zinc/42/15/39/1091421539.db2.gz GLTXTTZNQKCSNI-SFHVURJKSA-N 0 3 312.417 2.178 20 30 DEEDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274793654 1091421994 /nfs/dbraw/zinc/42/19/94/1091421994.db2.gz GMADWLUONARLBB-KDOFPFPSSA-N 0 3 312.417 2.176 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)CCCOCC)CC[C@H]1C(F)(F)F ZINC001279173895 1091542018 /nfs/dbraw/zinc/54/20/18/1091542018.db2.gz PQEYHZPTSLXAIC-OLZOCXBDSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001275093176 1091549580 /nfs/dbraw/zinc/54/95/80/1091549580.db2.gz CFBWWXAOPJAFMH-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001275093177 1091550197 /nfs/dbraw/zinc/55/01/97/1091550197.db2.gz CFBWWXAOPJAFMH-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@H](NCc1ccon1)C(C)C ZINC001276122652 1091562947 /nfs/dbraw/zinc/56/29/47/1091562947.db2.gz IDJBBRUCMZSNAC-INIZCTEOSA-N 0 3 305.422 2.297 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCn1nc(C)cc1C ZINC001275151305 1091586996 /nfs/dbraw/zinc/58/69/96/1091586996.db2.gz ZGYQIXKIRHTYQM-QGZVFWFLSA-N 0 3 318.465 2.389 20 30 DEEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccco2)cc1C#N ZINC001275236705 1091631304 /nfs/dbraw/zinc/63/13/04/1091631304.db2.gz YGHZGIDRGGKBFT-ROUUACIJSA-N 0 3 310.401 2.339 20 30 DEEDHN C=CCN1CC[C@H](N(C)CC2([C@@H]3CCCCO3)CCC2)C1=O ZINC001307725137 1091651035 /nfs/dbraw/zinc/65/10/35/1091651035.db2.gz LZSJCWCQTGBIEI-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN Cc1ocnc1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001275365386 1091691978 /nfs/dbraw/zinc/69/19/78/1091691978.db2.gz JDKQWTMSVAXZQK-UONOGXRCSA-N 0 3 311.385 2.131 20 30 DEEDHN N#Cc1cc(F)cc(C(=O)N2CC3(C2)CN(C2CCCC2)C3)c1 ZINC001275400472 1091717515 /nfs/dbraw/zinc/71/75/15/1091717515.db2.gz QELKLTOIKNUVTP-UHFFFAOYSA-N 0 3 313.376 2.398 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001276299474 1091773693 /nfs/dbraw/zinc/77/36/93/1091773693.db2.gz KDDRVAVUVDARLI-WBVHZDCISA-N 0 3 318.465 2.374 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2CCc2ccc(C#N)cc2)C1=O ZINC001273459555 1091788707 /nfs/dbraw/zinc/78/87/07/1091788707.db2.gz BQZDZYYMVYZNDY-LJQANCHMSA-N 0 3 309.413 2.354 20 30 DEEDHN C=CC1(CC(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001275517667 1091822464 /nfs/dbraw/zinc/82/24/64/1091822464.db2.gz YODFNLOYDWNPPX-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(Cc1nc(C)no1)C2 ZINC001273487071 1091877803 /nfs/dbraw/zinc/87/78/03/1091877803.db2.gz CDPXYSZQSPJKDE-QGZVFWFLSA-N 0 3 318.421 2.301 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001273498360 1091886976 /nfs/dbraw/zinc/88/69/76/1091886976.db2.gz GBPDXWZHXGKJDC-SJORKVTESA-N 0 3 320.477 2.313 20 30 DEEDHN C#CCCCN1CCCC[C@]12CC(=O)N(Cc1cnoc1)C2 ZINC001273542400 1091913501 /nfs/dbraw/zinc/91/35/01/1091913501.db2.gz UTZDCFBBWGADFL-QGZVFWFLSA-N 0 3 301.390 2.045 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC001273565866 1091925367 /nfs/dbraw/zinc/92/53/67/1091925367.db2.gz LBEHHXRHYYGAPZ-IAGOWNOFSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)COCCC)C1 ZINC001273598947 1091945361 /nfs/dbraw/zinc/94/53/61/1091945361.db2.gz KZXQJVAQDOFVEP-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)nc(C)n2)CC1 ZINC000948851855 1091966554 /nfs/dbraw/zinc/96/65/54/1091966554.db2.gz CMYYZUZUOXPJSG-MRXNPFEDSA-N 0 3 314.433 2.043 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC[C@@H]3C[C@@H]31)CCO2 ZINC000949129294 1092055475 /nfs/dbraw/zinc/05/54/75/1092055475.db2.gz FFXLDFLPMGGHEL-ZACQAIPSSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1occc1CC)CCO2 ZINC000949179844 1092063463 /nfs/dbraw/zinc/06/34/63/1092063463.db2.gz PVUVEOAJYSKHMB-UHFFFAOYSA-N 0 3 318.417 2.335 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1CCC)CCO2 ZINC000949185956 1092065500 /nfs/dbraw/zinc/06/55/00/1092065500.db2.gz GMUXRVYEZWRNMW-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)COC ZINC001273813193 1092148231 /nfs/dbraw/zinc/14/82/31/1092148231.db2.gz COINYFQZALURCY-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3(CF)CCC3)CC2)C1 ZINC000949474638 1092162148 /nfs/dbraw/zinc/16/21/48/1092162148.db2.gz DXBPQBGRQRGVOF-UHFFFAOYSA-N 0 3 324.440 2.396 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001487805748 1092223291 /nfs/dbraw/zinc/22/32/91/1092223291.db2.gz RAJZTMKUZSANRD-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001487805559 1092224122 /nfs/dbraw/zinc/22/41/22/1092224122.db2.gz QHAXCYXAQJIAQY-WMLDXEAASA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001275913209 1092299206 /nfs/dbraw/zinc/29/92/06/1092299206.db2.gz QFZAAAZYSRLHML-SUMWQHHRSA-N 0 3 320.408 2.105 20 30 DEEDHN CCC(C)(C)C(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001273839621 1092303917 /nfs/dbraw/zinc/30/39/17/1092303917.db2.gz ASKKGIFUFVSSIK-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001488641292 1092652770 /nfs/dbraw/zinc/65/27/70/1092652770.db2.gz CIUQUFWVGQYSCA-AEFFLSMTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001488662822 1092700546 /nfs/dbraw/zinc/70/05/46/1092700546.db2.gz MDYRCEJZPWETGX-IXDOHACOSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001488844150 1092775077 /nfs/dbraw/zinc/77/50/77/1092775077.db2.gz NXTJXSWFNBDURQ-SHTZXODSSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)COCC1CC1 ZINC001489080413 1092905373 /nfs/dbraw/zinc/90/53/73/1092905373.db2.gz FAPSGVUJSBRZFA-BPQIPLTHSA-N 0 3 318.461 2.042 20 30 DEEDHN C=C[C@H](C(=O)N1CCCC[C@H]1CN(C)CCO)c1ccccc1 ZINC001489332900 1093025797 /nfs/dbraw/zinc/02/57/97/1093025797.db2.gz IJXYHCFBABLTTE-ROUUACIJSA-N 0 3 316.445 2.261 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001489338444 1093026931 /nfs/dbraw/zinc/02/69/31/1093026931.db2.gz JSFDOYKRGQTVJN-AWEZNQCLSA-N 0 3 310.829 2.018 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001490096947 1093207833 /nfs/dbraw/zinc/20/78/33/1093207833.db2.gz ZLMKQIOKWWNXGF-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001490378126 1093332018 /nfs/dbraw/zinc/33/20/18/1093332018.db2.gz UUNXLPJOPGPKFZ-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(N(C)C)cc1F)C1CC1 ZINC001490375951 1093333091 /nfs/dbraw/zinc/33/30/91/1093333091.db2.gz CNKDLBCKQYTMLW-UHFFFAOYSA-N 0 3 317.408 2.109 20 30 DEEDHN C#CCN(CCCNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1)C1CC1 ZINC001490389989 1093340037 /nfs/dbraw/zinc/34/00/37/1093340037.db2.gz IUPZFIHDTKIQQQ-FUHWJXTLSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN(CCCNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1)C1CC1 ZINC001490389987 1093340902 /nfs/dbraw/zinc/34/09/02/1093340902.db2.gz IUPZFIHDTKIQQQ-AEFFLSMTSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(N(C)C)c(F)c1)C1CC1 ZINC001490392902 1093342553 /nfs/dbraw/zinc/34/25/53/1093342553.db2.gz JBTNURMCVCAVIL-UHFFFAOYSA-N 0 3 317.408 2.109 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CCOCC)CCC2)C1 ZINC001490435804 1093382298 /nfs/dbraw/zinc/38/22/98/1093382298.db2.gz QCBDRVNSEDOSEN-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001490436780 1093382642 /nfs/dbraw/zinc/38/26/42/1093382642.db2.gz KXDHFIOREMXLAS-WBVHZDCISA-N 0 3 304.434 2.106 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001490436775 1093382669 /nfs/dbraw/zinc/38/26/69/1093382669.db2.gz KXDHFIOREMXLAS-DOTOQJQBSA-N 0 3 304.434 2.106 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001490436779 1093383324 /nfs/dbraw/zinc/38/33/24/1093383324.db2.gz KXDHFIOREMXLAS-RDJZCZTQSA-N 0 3 304.434 2.106 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](NCc2ccnn2C)C2CC2)CCC1 ZINC001490705727 1093475139 /nfs/dbraw/zinc/47/51/39/1093475139.db2.gz RRRDUAWOUQFMBN-INIZCTEOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1ccnc(OC)c1)C1CC1 ZINC001490692434 1093487772 /nfs/dbraw/zinc/48/77/72/1093487772.db2.gz DILJYVRZUUBVSE-HNNXBMFYSA-N 0 3 317.433 2.287 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cc(F)cc(C)c2O)C1=O ZINC001274099852 1093797508 /nfs/dbraw/zinc/79/75/08/1093797508.db2.gz PRFXGNYWYKWURD-GOSISDBHSA-N 0 3 316.376 2.040 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001274097235 1093797532 /nfs/dbraw/zinc/79/75/32/1093797532.db2.gz RKSBVHMMJGURTL-OSJSJHBBSA-N 0 3 312.413 2.010 20 30 DEEDHN CN1CC[C@]2(CCN(Cc3ccc(C#N)cc3Cl)C2)C1=O ZINC001274103588 1093799282 /nfs/dbraw/zinc/79/92/82/1093799282.db2.gz GUJUKZLVROTCNV-MRXNPFEDSA-N 0 3 303.793 2.266 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cccc3nccn31)CC2 ZINC001274155461 1093824802 /nfs/dbraw/zinc/82/48/02/1093824802.db2.gz BKUYRIVBNYTTAY-MRXNPFEDSA-N 0 3 324.428 2.239 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2scnc2C)C1 ZINC001274188949 1093840549 /nfs/dbraw/zinc/84/05/49/1093840549.db2.gz NCIGXBAISXTHLU-GXTWGEPZSA-N 0 3 305.447 2.192 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@H](NCCF)[C@@H](C)C2)cc1 ZINC001274200340 1093846649 /nfs/dbraw/zinc/84/66/49/1093846649.db2.gz YPZMTEOYVLBTCT-YOEHRIQHSA-N 0 3 318.392 2.108 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(CO)cc1 ZINC001329523860 1148911207 /nfs/dbraw/zinc/91/12/07/1148911207.db2.gz LUYQGZSQZHLOEX-AWEZNQCLSA-N 0 3 304.434 2.328 20 30 DEEDHN C#CCN(C(=O)c1cnc(C2CC2)s1)C1CCN(C)CC1 ZINC001352818228 1151782647 /nfs/dbraw/zinc/78/26/47/1151782647.db2.gz PSZYGPZOUHWECN-UHFFFAOYSA-N 0 3 303.431 2.190 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](NCc3cnc(C)nc3)C2)C1 ZINC001691740209 1138259996 /nfs/dbraw/zinc/25/99/96/1138259996.db2.gz MSNLLUHOCYUUJJ-FZNQNYSPSA-N 0 3 314.433 2.126 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@]1(C)CCOc2ccccc21 ZINC001277988465 1138383812 /nfs/dbraw/zinc/38/38/12/1138383812.db2.gz PWWRXWOUTMURCA-DNVCBOLYSA-N 0 3 314.429 2.187 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)CCCC(C)C)C2)CC1 ZINC001278101938 1138646123 /nfs/dbraw/zinc/64/61/23/1138646123.db2.gz LNRSNMJKSOTYQG-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN COc1cc(CN2CCCC[C@]23CC(=O)N(C)C3)ccc1C#N ZINC001238407386 1138844248 /nfs/dbraw/zinc/84/42/48/1138844248.db2.gz WSZBCGXJMNJGOU-GOSISDBHSA-N 0 3 313.401 2.154 20 30 DEEDHN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccc(C#N)c(OC)c2)C1 ZINC001238409940 1138844289 /nfs/dbraw/zinc/84/42/89/1138844289.db2.gz SFHSAGATCGXTDA-WFASDCNBSA-N 0 3 302.374 2.198 20 30 DEEDHN COC(=O)[C@H]1C[C@@H](C)CN(Cc2ccc(C#N)c(OC)c2)C1 ZINC001238409933 1138844385 /nfs/dbraw/zinc/84/43/85/1138844385.db2.gz SFHSAGATCGXTDA-DOMZBBRYSA-N 0 3 302.374 2.198 20 30 DEEDHN COc1cc(CN(C)[C@H]2CCCN(C(C)=O)C2)ccc1C#N ZINC001238417231 1138844781 /nfs/dbraw/zinc/84/47/81/1138844781.db2.gz ZNYGOPREKSEOOI-INIZCTEOSA-N 0 3 301.390 2.010 20 30 DEEDHN O=C(/C=C/c1ccc(F)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001292743275 1138863822 /nfs/dbraw/zinc/86/38/22/1138863822.db2.gz BJJFTYRKERLZDG-WHWKNOJMSA-N 0 3 316.376 2.105 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2ccns2)[C@@H]1C ZINC001278291828 1139016351 /nfs/dbraw/zinc/01/63/51/1139016351.db2.gz AKWNHJXGOYWBQE-DZGCQCFKSA-N 0 3 305.447 2.416 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cn(C)nc1C ZINC001278302609 1139113065 /nfs/dbraw/zinc/11/30/65/1139113065.db2.gz AFIMRAOXGKJQRY-SJORKVTESA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)CN(CC)CC)C1 ZINC001295804956 1139568563 /nfs/dbraw/zinc/56/85/63/1139568563.db2.gz UPDHBFYBASBFCM-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001296435217 1139786745 /nfs/dbraw/zinc/78/67/45/1139786745.db2.gz GURQZFGGCRISHM-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN CCCOCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001278354411 1140046326 /nfs/dbraw/zinc/04/63/26/1140046326.db2.gz BQLFRYRBJPTGKE-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC12CCC2)NCc1ccc(F)c(C#N)c1 ZINC001491592729 1140187948 /nfs/dbraw/zinc/18/79/48/1140187948.db2.gz MPEGYJWOYUROGP-IUODEOHRSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(OC)c(F)c2)C1 ZINC001318413909 1140321543 /nfs/dbraw/zinc/32/15/43/1140321543.db2.gz AXHRDEATEVMPMC-HNNXBMFYSA-N 0 3 320.408 2.486 20 30 DEEDHN C#CCCCC(=O)N[C@@](C)(CNCc1cnoc1C)C1CC1 ZINC001318686339 1140386646 /nfs/dbraw/zinc/38/66/46/1140386646.db2.gz OILDFWWIVVXYPT-KRWDZBQOSA-N 0 3 303.406 2.161 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001278389711 1140472067 /nfs/dbraw/zinc/47/20/67/1140472067.db2.gz AHNVFQCAMRDLGB-QWHCGFSZSA-N 0 3 322.840 2.333 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2cccc(OC)c2)C1 ZINC001278390141 1140475165 /nfs/dbraw/zinc/47/51/65/1140475165.db2.gz DSJSLWYBSYHBGK-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001319398426 1140562597 /nfs/dbraw/zinc/56/25/97/1140562597.db2.gz RAKNLAALTVDJRJ-QGZVFWFLSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CC1(C)CCCC1 ZINC001319450893 1140578645 /nfs/dbraw/zinc/57/86/45/1140578645.db2.gz BQDBQIOGRYDLBL-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319514334 1140606354 /nfs/dbraw/zinc/60/63/54/1140606354.db2.gz KNLIBMRUNDPKSE-DOTOQJQBSA-N 0 3 304.409 2.469 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)[C@H](C)CNC[C@@H](F)CC ZINC001319577768 1140619510 /nfs/dbraw/zinc/61/95/10/1140619510.db2.gz RSYNUMHXJDFAKI-PBHICJAKSA-N 0 3 304.409 2.395 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](CN[C@H](C)C(N)=O)C1CCCCC1 ZINC001319651656 1140643327 /nfs/dbraw/zinc/64/33/27/1140643327.db2.gz PHKLSKKZRSDMAN-UKRRQHHQSA-N 0 3 323.481 2.117 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](NCC#Cc2ccccc2)C(C)C)[nH]n1 ZINC001319900869 1140801336 /nfs/dbraw/zinc/80/13/36/1140801336.db2.gz XXGUYZFVTHLQET-GOSISDBHSA-N 0 3 324.428 2.114 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1c(CC)nn(C)c1CC ZINC001320009299 1140812339 /nfs/dbraw/zinc/81/23/39/1140812339.db2.gz QIRFDVLGOQJJIY-UHFFFAOYSA-N 0 3 320.481 2.054 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccn(-c2ccccc2)n1 ZINC001320017193 1140813005 /nfs/dbraw/zinc/81/30/05/1140813005.db2.gz YNOVPNCDZHVDIG-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(CO)cc1 ZINC001320032431 1140813947 /nfs/dbraw/zinc/81/39/47/1140813947.db2.gz DWBDVYAOYMXNHX-UHFFFAOYSA-N 0 3 304.434 2.281 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@]1(C)CCOc2ccccc21 ZINC001320072281 1140818474 /nfs/dbraw/zinc/81/84/74/1140818474.db2.gz GGLZOKYNIHPJGN-SFHVURJKSA-N 0 3 302.418 2.303 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2conc2C)C1 ZINC001320096448 1140820871 /nfs/dbraw/zinc/82/08/71/1140820871.db2.gz JPVCALOSVPSPMS-DOTOQJQBSA-N 0 3 315.417 2.209 20 30 DEEDHN C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)C#CC1CC1 ZINC001320420809 1140863309 /nfs/dbraw/zinc/86/33/09/1140863309.db2.gz BQQSZPRVHHUMIN-CYBMUJFWSA-N 0 3 313.376 2.095 20 30 DEEDHN C=CCOc1ccccc1[C@H](C)N[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246319330 1140883827 /nfs/dbraw/zinc/88/38/27/1140883827.db2.gz WCPGZBHMBJAJFW-DZKIICNBSA-N 0 3 318.417 2.196 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCCN2CCC)n1 ZINC001321008042 1141027430 /nfs/dbraw/zinc/02/74/30/1141027430.db2.gz YWZARJZDAYKMMZ-QGZVFWFLSA-N 0 3 316.449 2.129 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321500831 1141290162 /nfs/dbraw/zinc/29/01/62/1141290162.db2.gz IOZULQWAODHGOB-HUUCEWRRSA-N 0 3 320.408 2.087 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@H](C)c2n[nH]c(C)n2)CCC1 ZINC001321978951 1141376063 /nfs/dbraw/zinc/37/60/63/1141376063.db2.gz SJQLZGDGBKCMKH-NWDGAFQWSA-N 0 3 305.426 2.015 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)CCOc1ccc(F)cc1 ZINC001322159000 1141423160 /nfs/dbraw/zinc/42/31/60/1141423160.db2.gz XRCMXYSIDZUFEO-HNNXBMFYSA-N 0 3 320.408 2.300 20 30 DEEDHN CCc1cc(C#N)ccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001248750283 1141812490 /nfs/dbraw/zinc/81/24/90/1141812490.db2.gz DJGXNSNBHBMTEF-PIIMJCKOSA-N 0 3 311.429 2.323 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001323311240 1141840914 /nfs/dbraw/zinc/84/09/14/1141840914.db2.gz UZKMAEUQDPSMKE-ZBFHGGJFSA-N 0 3 304.438 2.452 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001323334024 1141843189 /nfs/dbraw/zinc/84/31/89/1141843189.db2.gz GZPIZCFLQFZIHR-GFCCVEGCSA-N 0 3 316.361 2.100 20 30 DEEDHN COC(=O)Cc1ccc(C[NH+]2CCC(CC#N)CC2)c([O-])c1 ZINC001249201564 1141859172 /nfs/dbraw/zinc/85/91/72/1141859172.db2.gz YBVNSPDPQYJFMD-UHFFFAOYSA-N 0 3 302.374 2.233 20 30 DEEDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001249207324 1141860106 /nfs/dbraw/zinc/86/01/06/1141860106.db2.gz BOFWJPRLEVQAHY-ZDUSSCGKSA-N 0 3 302.374 2.233 20 30 DEEDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001249207324 1141860110 /nfs/dbraw/zinc/86/01/10/1141860110.db2.gz BOFWJPRLEVQAHY-ZDUSSCGKSA-N 0 3 302.374 2.233 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001323623575 1141871351 /nfs/dbraw/zinc/87/13/51/1141871351.db2.gz BUPVMTOYNJFVHJ-AWEZNQCLSA-N 0 3 302.393 2.266 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(F)F ZINC001323692932 1141877376 /nfs/dbraw/zinc/87/73/76/1141877376.db2.gz IFGOOQFYBDLRHM-KGLIPLIRSA-N 0 3 316.392 2.300 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001323749562 1141883509 /nfs/dbraw/zinc/88/35/09/1141883509.db2.gz WWXXRTKRYDNDLS-MRXNPFEDSA-N 0 3 308.466 2.241 20 30 DEEDHN C=CCCC[N@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001278520991 1141950705 /nfs/dbraw/zinc/95/07/05/1141950705.db2.gz LEABZFGCLSUKRP-KBPBESRZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001278520991 1141950721 /nfs/dbraw/zinc/95/07/21/1141950721.db2.gz LEABZFGCLSUKRP-KBPBESRZSA-N 0 3 318.421 2.040 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NCc1cc(F)cc(F)c1 ZINC001480447309 1151811078 /nfs/dbraw/zinc/81/10/78/1151811078.db2.gz KYJBERFXRRIUKF-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001324020975 1141958431 /nfs/dbraw/zinc/95/84/31/1141958431.db2.gz CWBGRHNAKLUORV-IAGOWNOFSA-N 0 3 317.433 2.324 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCC(=O)NC(C)C)[C@H]1C ZINC001278526338 1141995516 /nfs/dbraw/zinc/99/55/16/1141995516.db2.gz IJMRQOUEDHBBDD-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)CCCCC)C2)CC1 ZINC001324352025 1142060416 /nfs/dbraw/zinc/06/04/16/1142060416.db2.gz HFFVHRCMMPIGDV-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN(C(=O)c1nccn1CC)C1CCN(CC(=C)C)CC1 ZINC001324386494 1142067756 /nfs/dbraw/zinc/06/77/56/1142067756.db2.gz IHVNOLOSMNWVMP-UHFFFAOYSA-N 0 3 314.433 2.019 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)/C=C/C(C)(C)C)CC1 ZINC001278598031 1142311351 /nfs/dbraw/zinc/31/13/51/1142311351.db2.gz HMXFPXYQXJDONP-CMDGGOBGSA-N 0 3 320.477 2.457 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(F)cc2F)cc1 ZINC001250837114 1142331684 /nfs/dbraw/zinc/33/16/84/1142331684.db2.gz CEXZBCVLQYEPHA-HNNXBMFYSA-N 0 3 318.323 2.366 20 30 DEEDHN C#CCOC[C@H](O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC001251836247 1142520622 /nfs/dbraw/zinc/52/06/22/1142520622.db2.gz WVTAFCDFYAMZSS-GFCCVEGCSA-N 0 3 302.201 2.436 20 30 DEEDHN C#CCOC[C@H](O)CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC001251860247 1142526754 /nfs/dbraw/zinc/52/67/54/1142526754.db2.gz FWJXVJXQTKZDQJ-CYBMUJFWSA-N 0 3 317.307 2.028 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COc2ccc(F)cc2)ccc1F ZINC001251946028 1142559075 /nfs/dbraw/zinc/55/90/75/1142559075.db2.gz LOPXMCWSGPTGTN-HNNXBMFYSA-N 0 3 318.323 2.366 20 30 DEEDHN CCCCCCCC[C@@H](O)CNCC(=O)NCC(F)(F)F ZINC001252139347 1142654629 /nfs/dbraw/zinc/65/46/29/1142654629.db2.gz MFHJXNGGJPLREQ-GFCCVEGCSA-N 0 3 312.376 2.366 20 30 DEEDHN CC1(C)Nc2ccccc2[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC001337086207 1142679326 /nfs/dbraw/zinc/67/93/26/1142679326.db2.gz BQJUJPLMUHSRCH-HIFRSBDPSA-N 0 3 300.406 2.459 20 30 DEEDHN C=C[C@](C)(O)CN1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001252552225 1142761059 /nfs/dbraw/zinc/76/10/59/1142761059.db2.gz IFHNENNNAUBIMH-YOEHRIQHSA-N 0 3 306.454 2.037 20 30 DEEDHN C=CCC[C@H](O)CN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001252602599 1142785053 /nfs/dbraw/zinc/78/50/53/1142785053.db2.gz CUDCFDAUELETJC-AWEZNQCLSA-N 0 3 309.406 2.471 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001252604588 1142787202 /nfs/dbraw/zinc/78/72/02/1142787202.db2.gz VCLQEKVJQLPPFV-LSDHHAIUSA-N 0 3 306.406 2.261 20 30 DEEDHN COc1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC001252715140 1142811780 /nfs/dbraw/zinc/81/17/80/1142811780.db2.gz BVDTVLQTZRPMJN-CABCVRRESA-N 0 3 304.390 2.061 20 30 DEEDHN C[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001338094813 1142827874 /nfs/dbraw/zinc/82/78/74/1142827874.db2.gz DAPHWKGMAYWUPY-LBPRGKRZSA-N 0 3 315.377 2.315 20 30 DEEDHN C#CCN1CCC[C@H](NCc2ccncc2Br)C1 ZINC001338185516 1142836638 /nfs/dbraw/zinc/83/66/38/1142836638.db2.gz CIFSLSPYHFVQGC-ZDUSSCGKSA-N 0 3 308.223 2.031 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001278693028 1142840375 /nfs/dbraw/zinc/84/03/75/1142840375.db2.gz DOFNOZIXPKHJPU-SJLPKXTDSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@]2(CNC(=O)O2)C1 ZINC001253241582 1142856750 /nfs/dbraw/zinc/85/67/50/1142856750.db2.gz XSCHEUFQBZLFCE-WBVHZDCISA-N 0 3 310.438 2.448 20 30 DEEDHN O=C1C=C2CN(C[C@H](O)c3ccc(F)c(F)c3)CCC2S1 ZINC001253349513 1142864193 /nfs/dbraw/zinc/86/41/93/1142864193.db2.gz DXISKXDMBZJPSI-KBPBESRZSA-N 0 3 311.353 2.272 20 30 DEEDHN CCOC(=O)C[C@H](O)CN1CCC(c2cccc(C#N)c2)CC1 ZINC001253796334 1142941845 /nfs/dbraw/zinc/94/18/45/1142941845.db2.gz AFTYHKDWFWTFGL-KRWDZBQOSA-N 0 3 316.401 2.052 20 30 DEEDHN CC(C)(C)NC(=O)CO[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254671665 1143309008 /nfs/dbraw/zinc/30/90/08/1143309008.db2.gz SQPNSWHMDKAWPW-QLFBSQMISA-N 0 3 307.438 2.074 20 30 DEEDHN C#CCN(CC#C)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254785434 1143325111 /nfs/dbraw/zinc/32/51/11/1143325111.db2.gz HEOLHHVEHLLAOI-HNNXBMFYSA-N 0 3 302.418 2.344 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C(CC(C)C)CC(C)C)C1 ZINC001278829071 1143372652 /nfs/dbraw/zinc/37/26/52/1143372652.db2.gz TYSOPJLOMPBBDM-SFHVURJKSA-N 0 3 310.482 2.434 20 30 DEEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC001255160702 1143453642 /nfs/dbraw/zinc/45/36/42/1143453642.db2.gz OIMPZAVFAKGLDP-BZUAXINKSA-N 0 3 300.406 2.404 20 30 DEEDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=N)c1ccc(F)cn1)C2 ZINC001255184068 1143475392 /nfs/dbraw/zinc/47/53/92/1143475392.db2.gz XNVGODJGYFRFTM-CLLJXQQHSA-N 0 3 320.368 2.078 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C ZINC001341331059 1143583355 /nfs/dbraw/zinc/58/33/55/1143583355.db2.gz JIFCNNODWNOHIF-UHFFFAOYSA-N 0 3 305.470 2.490 20 30 DEEDHN C#CCNCC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC001341629071 1143643247 /nfs/dbraw/zinc/64/32/47/1143643247.db2.gz ANKWSJIABDNYCW-INIZCTEOSA-N 0 3 321.852 2.062 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001341697013 1143669989 /nfs/dbraw/zinc/66/99/89/1143669989.db2.gz NFAHNPRPAXHXPG-UKRRQHHQSA-N 0 3 323.387 2.343 20 30 DEEDHN C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](N)CCCCC#N ZINC001341942114 1143747114 /nfs/dbraw/zinc/74/71/14/1143747114.db2.gz FIHLGFNEBFFINA-XJKSGUPXSA-N 0 3 303.406 2.241 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC001342036779 1143774807 /nfs/dbraw/zinc/77/48/07/1143774807.db2.gz SDLQKBVEYAPFMK-XKVFNRALSA-N 0 3 300.358 2.313 20 30 DEEDHN N#CCC1(NC2CCN(C(=O)C(F)(F)F)CC2)CCCC1 ZINC001255980024 1143819139 /nfs/dbraw/zinc/81/91/39/1143819139.db2.gz MEFNLNXSPZTHSM-UHFFFAOYSA-N 0 3 303.328 2.356 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001342259361 1143807097 /nfs/dbraw/zinc/80/70/97/1143807097.db2.gz LJMYXKDFQFNTGS-LSDHHAIUSA-N 0 3 316.453 2.402 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1=O ZINC001255833244 1143809668 /nfs/dbraw/zinc/80/96/68/1143809668.db2.gz PNGVJLBPICIHJW-CWRNSKLLSA-N 0 3 313.401 2.003 20 30 DEEDHN CCOC(=O)N1CC[C@H](NC(=N)c2ccc3ccccc3n2)C1 ZINC001256020265 1143821644 /nfs/dbraw/zinc/82/16/44/1143821644.db2.gz MKPIEPAMUGDNBB-ZDUSSCGKSA-N 0 3 312.373 2.171 20 30 DEEDHN C#CCOc1ccccc1OC(=O)C1CCCN(C2CC2)C1=O ZINC001342591519 1143825400 /nfs/dbraw/zinc/82/54/00/1143825400.db2.gz MGJBNBMNBQNJSM-CQSZACIVSA-N 0 3 313.353 2.005 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2nc(C)oc2C)C1 ZINC001278991446 1143888436 /nfs/dbraw/zinc/88/84/36/1143888436.db2.gz ISLDKSXOOMYPGW-XJKSGUPXSA-N 0 3 317.433 2.422 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC(C)(C)COC)CC1 ZINC001279089978 1143991415 /nfs/dbraw/zinc/99/14/15/1143991415.db2.gz WKDKJCGCYOEAIL-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)C(=O)N[O-] ZINC001258419001 1144004878 /nfs/dbraw/zinc/00/48/78/1144004878.db2.gz OVQYFDGLAFAEET-LRDDRELGSA-N 0 3 323.412 2.304 20 30 DEEDHN C=CCCCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001299568818 1144078184 /nfs/dbraw/zinc/07/81/84/1144078184.db2.gz OGWCFNKWWTWZBC-AEFFLSMTSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001261934146 1144282239 /nfs/dbraw/zinc/28/22/39/1144282239.db2.gz GZMUASRHGVJEJN-DLBZAZTESA-N 0 3 317.433 2.070 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC001262294048 1144304102 /nfs/dbraw/zinc/30/41/02/1144304102.db2.gz NCJQCADVSVNVJD-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCn2nc(C)nc2C1 ZINC001263101491 1144355655 /nfs/dbraw/zinc/35/56/55/1144355655.db2.gz TYCMKWOSIMRXAM-AWEZNQCLSA-N 0 3 307.442 2.007 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC001263157181 1144358771 /nfs/dbraw/zinc/35/87/71/1144358771.db2.gz QYAMZNADPIEOMA-VGWMRTNUSA-N 0 3 322.449 2.250 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)Nc1cnc2c(c1)CNC2=O ZINC001263261700 1144364057 /nfs/dbraw/zinc/36/40/57/1144364057.db2.gz LPKGBIJXVWJXHC-AWEZNQCLSA-N 0 3 318.421 2.341 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001263347126 1144371314 /nfs/dbraw/zinc/37/13/14/1144371314.db2.gz GMWCYYYEQUCAIG-CQSZACIVSA-N 0 3 321.469 2.218 20 30 DEEDHN CC(C)[C@H](C#N)OC(=O)C1CCN(Cc2ccccc2)C1=O ZINC001263367170 1144372802 /nfs/dbraw/zinc/37/28/02/1144372802.db2.gz KWPJBKIPKSYIEQ-GJZGRUSLSA-N 0 3 300.358 2.126 20 30 DEEDHN CCCC(=O)NC[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001263853452 1144412725 /nfs/dbraw/zinc/41/27/25/1144412725.db2.gz VOQKTACEUSHURW-JCNLHEQBSA-N 0 3 302.393 2.462 20 30 DEEDHN Cc1nc(C(=O)NC[C@H]2C[C@H](NCC#Cc3ccccc3)C2)co1 ZINC001263860314 1144414235 /nfs/dbraw/zinc/41/42/35/1144414235.db2.gz RJJOPQFLWVEJBR-QAQDUYKDSA-N 0 3 323.396 2.133 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001263861729 1144414974 /nfs/dbraw/zinc/41/49/74/1144414974.db2.gz LCVDQPAEARKEKD-CTYIDZIISA-N 0 3 319.836 2.379 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCOC)C(C)(C)[C@@H]21 ZINC001264029198 1144444557 /nfs/dbraw/zinc/44/45/57/1144444557.db2.gz AHLMBWAWCSJUKD-DJIMGWMZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCCCN(C(=O)/C(C)=C/C)C1 ZINC001264117555 1144472700 /nfs/dbraw/zinc/47/27/00/1144472700.db2.gz ZZVDVAVZSMDRCO-IDVSTWMWSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001264365472 1144513673 /nfs/dbraw/zinc/51/36/73/1144513673.db2.gz YGMQUPNWEGCKIQ-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCCCCNCc1cnns1 ZINC001264597372 1144573763 /nfs/dbraw/zinc/57/37/63/1144573763.db2.gz GNLRWJRMIHUATB-UHFFFAOYSA-N 0 3 322.478 2.306 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(CCc2ccns2)[C@@H]1CC ZINC001264606650 1144577383 /nfs/dbraw/zinc/57/73/83/1144577383.db2.gz XSHHZZRGBUGXCM-JKSUJKDBSA-N 0 3 319.474 2.458 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(CC)CCOCC2)CC(C)(C)C1 ZINC001264754086 1144606472 /nfs/dbraw/zinc/60/64/72/1144606472.db2.gz VPKXNMFRMKYPFT-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(CC)CCOCC2)CC(C)(C)C1 ZINC001264754085 1144606765 /nfs/dbraw/zinc/60/67/65/1144606765.db2.gz VPKXNMFRMKYPFT-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC001265215266 1144669244 /nfs/dbraw/zinc/66/92/44/1144669244.db2.gz XAWCXZHXNBPJOU-OAHLLOKOSA-N 0 3 318.392 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC001265232909 1144673565 /nfs/dbraw/zinc/67/35/65/1144673565.db2.gz IIJYCKPRSDDVCN-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN2CCN(CCCCC)CC2)C1 ZINC001265263884 1144677521 /nfs/dbraw/zinc/67/75/21/1144677521.db2.gz BVPOEZAYZGARJK-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCCC(F)(F)F)CC1 ZINC001265332353 1144695245 /nfs/dbraw/zinc/69/52/45/1144695245.db2.gz SIWLSSJXTLWTRN-GFCCVEGCSA-N 0 3 302.340 2.323 20 30 DEEDHN O=C(NC[C@H](NCC#Cc1ccccc1)C1CC1)C1CC=CC1 ZINC001265349144 1144696989 /nfs/dbraw/zinc/69/69/89/1144696989.db2.gz ACJGXVCGIGTNNQ-IBGZPJMESA-N 0 3 308.425 2.489 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001265406635 1144702560 /nfs/dbraw/zinc/70/25/60/1144702560.db2.gz CHZOQZOKHXCNJO-FDPKGLCPSA-N 0 3 304.434 2.053 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](NC/C=C/Cl)C1 ZINC001265440600 1144704077 /nfs/dbraw/zinc/70/40/77/1144704077.db2.gz YZWNGVMKUKHPGM-MNOINKQASA-N 0 3 300.830 2.158 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001265442860 1144704284 /nfs/dbraw/zinc/70/42/84/1144704284.db2.gz HTNPDAHTUUPLIM-ZBFHGGJFSA-N 0 3 302.422 2.078 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H]1C[C@H](NC(=O)C#CC2CC2)C1 ZINC001265476841 1144706168 /nfs/dbraw/zinc/70/61/68/1144706168.db2.gz RWHYRUNUOAVLOE-SHTZXODSSA-N 0 3 315.417 2.257 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C=C2CCC2)C1 ZINC001265522650 1144708851 /nfs/dbraw/zinc/70/88/51/1144708851.db2.gz AFMNZJFCJCWVJV-ROUUACIJSA-N 0 3 316.445 2.059 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001265553301 1144711585 /nfs/dbraw/zinc/71/15/85/1144711585.db2.gz NEVACWMOHZAGAE-SOUVJXGZSA-N 0 3 302.422 2.124 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC001265642882 1144721103 /nfs/dbraw/zinc/72/11/03/1144721103.db2.gz BNTCAMWGPUJDKI-XZVRFQMRSA-N 0 3 317.433 2.201 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001265672419 1144725843 /nfs/dbraw/zinc/72/58/43/1144725843.db2.gz XRXHQMTWUSNLHW-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CC1 ZINC001265693829 1144729178 /nfs/dbraw/zinc/72/91/78/1144729178.db2.gz NTDFIDZHYCUUDE-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)NCc1cn(C(C)C)nc1C ZINC001265769114 1144739363 /nfs/dbraw/zinc/73/93/63/1144739363.db2.gz ORMKRBSOWJXSTH-CQSZACIVSA-N 0 3 304.438 2.170 20 30 DEEDHN Cc1ccc(CN[C@@H](C)CNC(=O)C#CC(C)(C)C)c(C)n1 ZINC001265772931 1144739576 /nfs/dbraw/zinc/73/95/76/1144739576.db2.gz 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C=CCCCN1CCC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001317988240 1147764603 /nfs/dbraw/zinc/76/46/03/1147764603.db2.gz VXWCYNOWZVZXSH-LBPRGKRZSA-N 0 3 321.446 2.007 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001317993999 1147765102 /nfs/dbraw/zinc/76/51/02/1147765102.db2.gz IVQOTYNMNWITEF-IRXDYDNUSA-N 0 3 318.392 2.117 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001318127879 1147778475 /nfs/dbraw/zinc/77/84/75/1147778475.db2.gz ZARGCCMGRPZCJV-HNNXBMFYSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001318140614 1147780727 /nfs/dbraw/zinc/78/07/27/1147780727.db2.gz VEYVDLPQKCQBSD-UHFFFAOYSA-N 0 3 314.404 2.319 20 30 DEEDHN C=CCCCC(=O)NCC1CN(C[C@@H](O)C2CCCCC2)C1 ZINC001318147960 1147784185 /nfs/dbraw/zinc/78/41/85/1147784185.db2.gz AWTZOANCYHLHEO-QGZVFWFLSA-N 0 3 308.466 2.332 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCOc2ccccc2CC)C1 ZINC001318169834 1147788901 /nfs/dbraw/zinc/78/89/01/1147788901.db2.gz VLFRGCCGJVCNGU-UHFFFAOYSA-N 0 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ZINC001327020052 1148311075 /nfs/dbraw/zinc/31/10/75/1148311075.db2.gz OGENESUSDHOPKZ-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001327146467 1148336808 /nfs/dbraw/zinc/33/68/08/1148336808.db2.gz IYVINTGTAMYOKV-SJLPKXTDSA-N 0 3 306.450 2.209 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000278332999 214096320 /nfs/dbraw/zinc/09/63/20/214096320.db2.gz JKUXJOYSLANHSP-QGZVFWFLSA-N 0 3 312.417 2.374 20 30 DEEDHN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424096884 230595984 /nfs/dbraw/zinc/59/59/84/230595984.db2.gz YVWRLTWMTBCAGP-AWEZNQCLSA-N 0 3 314.389 2.303 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c[nH]1 ZINC000181298100 199277745 /nfs/dbraw/zinc/27/77/45/199277745.db2.gz DXCOXSSYHDXQMK-KRWDZBQOSA-N 0 3 308.385 2.281 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCO1)C(C)C ZINC000079032782 185147689 /nfs/dbraw/zinc/14/76/89/185147689.db2.gz WQFRPKXBKCZEGZ-HOTGVXAUSA-N 0 3 309.454 2.163 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1C)C(C)C ZINC000079440315 185171642 /nfs/dbraw/zinc/17/16/42/185171642.db2.gz SVWWVJMEPMMVTR-JKSUJKDBSA-N 0 3 309.454 2.115 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cccc(C)c1C#N ZINC000352574433 404467348 /nfs/dbraw/zinc/46/73/48/404467348.db2.gz HCPRXPDJEHNZPW-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001421828719 1172023007 /nfs/dbraw/zinc/02/30/07/1172023007.db2.gz PEBWVRMSQPADPF-CQSZACIVSA-N 0 3 313.873 2.194 20 30 DEEDHN CCN(CC#CCN1C(=O)c2ccccc2C1=O)CCC1CC1 ZINC000625325230 365729926 /nfs/dbraw/zinc/72/99/26/365729926.db2.gz SNHMILXOKFTEIN-UHFFFAOYSA-N 0 3 310.397 2.408 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000372371016 529870088 /nfs/dbraw/zinc/87/00/88/529870088.db2.gz VLCHSEJLVFGGOE-QGZVFWFLSA-N 0 3 310.405 2.075 20 30 DEEDHN CN1CCC(N(Cc2ccco2)C(=O)NCC(C)(C)C#N)CC1 ZINC000358619406 530049701 /nfs/dbraw/zinc/04/97/01/530049701.db2.gz SWWYHVOPAKWPBD-UHFFFAOYSA-N 0 3 318.421 2.435 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000172741156 198144384 /nfs/dbraw/zinc/14/43/84/198144384.db2.gz LAQDVBZSRFYYMX-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000332915947 539943818 /nfs/dbraw/zinc/94/38/18/539943818.db2.gz WYMPDQSDVVPBIP-HRCADAONSA-N 0 3 304.438 2.339 20 30 DEEDHN CCCCN(CCCO)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000182140891 199392019 /nfs/dbraw/zinc/39/20/19/199392019.db2.gz SLJMFQWVSMWMMA-CQSZACIVSA-N 0 3 303.406 2.370 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccncc2)CC1 ZINC000007365417 354002361 /nfs/dbraw/zinc/00/23/61/354002361.db2.gz RODJRIFWCVLTSQ-UHFFFAOYSA-N 0 3 309.329 2.188 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)n1cccn1)C(C)C ZINC000042393616 354194984 /nfs/dbraw/zinc/19/49/84/354194984.db2.gz LSBUJDDOKIGKSR-HZPDHXFCSA-N 0 3 304.438 2.259 20 30 DEEDHN CCN1CCC(NC(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000050108107 354367645 /nfs/dbraw/zinc/36/76/45/354367645.db2.gz 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ZINC000352831469 283145961 /nfs/dbraw/zinc/14/59/61/283145961.db2.gz CZCSLLWDGKPVSX-TZMCWYRMSA-N 0 3 314.307 2.064 20 30 DEEDHN C[C@@H]1CC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000230421737 356283377 /nfs/dbraw/zinc/28/33/77/356283377.db2.gz SVQGJJMRTXBABC-UKRRQHHQSA-N 0 3 306.431 2.358 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCCOCC2CCCC2)cc1 ZINC000313267454 356412906 /nfs/dbraw/zinc/41/29/06/356412906.db2.gz UDXUBXXMKPLRNT-QGZVFWFLSA-N 0 3 318.417 2.094 20 30 DEEDHN C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000314047302 356415164 /nfs/dbraw/zinc/41/51/64/356415164.db2.gz OCZQLDDFHJDGBM-GFCCVEGCSA-N 0 3 315.398 2.056 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2CC1 ZINC000324631111 356458177 /nfs/dbraw/zinc/45/81/77/356458177.db2.gz AMFUWTZWFRTFNT-IBGZPJMESA-N 0 3 322.408 2.399 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCOc3ccccc32)C(N)=O)cc1 ZINC000115599849 283188180 /nfs/dbraw/zinc/18/81/80/283188180.db2.gz WSEFICBLCXRJLA-YJBOKZPZSA-N 0 3 321.380 2.241 20 30 DEEDHN CSc1ccccc1[C@@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000579114662 356923968 /nfs/dbraw/zinc/92/39/68/356923968.db2.gz YTFYHYJVJLJSJG-ZIAGYGMSSA-N 0 3 307.463 2.265 20 30 DEEDHN C=CCOCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000579245497 356946371 /nfs/dbraw/zinc/94/63/71/356946371.db2.gz WCNHHNXCXVUUSD-UHFFFAOYSA-N 0 3 311.385 2.086 20 30 DEEDHN CN1CC[C@@](O)(CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000581485325 357195426 /nfs/dbraw/zinc/19/54/26/357195426.db2.gz LIHJEHUGEICSAP-MRXNPFEDSA-N 0 3 316.792 2.238 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000584715599 357295599 /nfs/dbraw/zinc/29/55/99/357295599.db2.gz WNVAKAYWEFPNCC-SFHVURJKSA-N 0 3 321.380 2.154 20 30 DEEDHN C[C@H]1CCSCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000585816807 357360768 /nfs/dbraw/zinc/36/07/68/357360768.db2.gz VMPYSYZMSLJIDP-HOCLYGCPSA-N 0 3 320.458 2.320 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3c1cnn3CCO)CC2 ZINC000589337921 357465619 /nfs/dbraw/zinc/46/56/19/357465619.db2.gz HKQIVXLRSXWYTJ-ZWKOTPCHSA-N 0 3 322.412 2.402 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000590767629 357606564 /nfs/dbraw/zinc/60/65/64/357606564.db2.gz KDAAXGFMENHXNY-GFCCVEGCSA-N 0 3 300.406 2.141 20 30 DEEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000591056185 357667995 /nfs/dbraw/zinc/66/79/95/357667995.db2.gz JCCLFHBMZCRJSK-OKZBNKHCSA-N 0 3 309.413 2.262 20 30 DEEDHN C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)CN1 ZINC000591358304 357713594 /nfs/dbraw/zinc/71/35/94/357713594.db2.gz ZLISDJDTQFYXMB-MNOVXSKESA-N 0 3 306.797 2.103 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000591162052 357683768 /nfs/dbraw/zinc/68/37/68/357683768.db2.gz RXQUUJNAUORGFV-QGZVFWFLSA-N 0 3 302.418 2.217 20 30 DEEDHN CC(C)Oc1ccc(CCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000591593902 357740669 /nfs/dbraw/zinc/74/06/69/357740669.db2.gz KQXFEAICMNKNAJ-INIZCTEOSA-N 0 3 303.406 2.154 20 30 DEEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@H](O)CN(C)CCC#N ZINC000591728031 357754433 /nfs/dbraw/zinc/75/44/33/357754433.db2.gz FEMPMOSHORKAFE-GOEBONIOSA-N 0 3 319.449 2.398 20 30 DEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1cc2cccc(F)c2o1 ZINC000591763501 357757815 /nfs/dbraw/zinc/75/78/15/357757815.db2.gz OZSXBQGEJKBVED-JSGCOSHPSA-N 0 3 319.380 2.429 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CCN(C)C1 ZINC000592029772 357817830 /nfs/dbraw/zinc/81/78/30/357817830.db2.gz IXCFOXGLUJQQOY-OAHLLOKOSA-N 0 3 318.396 2.323 20 30 DEEDHN COc1ccc2ncc(C#N)c(NCCN3CCCCC3)c2c1 ZINC000591897038 357784932 /nfs/dbraw/zinc/78/49/32/357784932.db2.gz GXVGZYKPFBBCIU-UHFFFAOYSA-N 0 3 310.401 2.435 20 30 DEEDHN CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H](N)CCCC#N ZINC000592218659 357854103 /nfs/dbraw/zinc/85/41/03/357854103.db2.gz OIVYARSKCMNISM-JKSUJKDBSA-N 0 3 314.433 2.265 20 30 DEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCC(C)(C)C)CC1 ZINC000592144593 357838427 /nfs/dbraw/zinc/83/84/27/357838427.db2.gz BUIKTYQVQZXRPJ-INIZCTEOSA-N 0 3 322.497 2.047 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(C)CC2(F)F)CC1 ZINC000660597969 540309929 /nfs/dbraw/zinc/30/99/29/540309929.db2.gz UPJDWGYCSMFQAE-AWEZNQCLSA-N 0 3 301.381 2.371 20 30 DEEDHN N#Cc1cnn2cc(CNC[C@H]3OCCc4ccccc43)cnc12 ZINC000592506509 357888904 /nfs/dbraw/zinc/88/89/04/357888904.db2.gz YXNVVVOLJZDEGO-QGZVFWFLSA-N 0 3 319.368 2.005 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000276739039 213077730 /nfs/dbraw/zinc/07/77/30/213077730.db2.gz CRUWSJDQGFEVOE-QGZVFWFLSA-N 0 3 312.413 2.285 20 30 DEEDHN CN(CCn1cccn1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180146854 199123123 /nfs/dbraw/zinc/12/31/23/199123123.db2.gz NXNWAUZERVXFGA-UHFFFAOYSA-N 0 3 320.400 2.287 20 30 DEEDHN Cn1cc(CN2CCC[C@@](C)(O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180185890 199127908 /nfs/dbraw/zinc/12/79/08/199127908.db2.gz MGGSUZBHUSXURF-GOSISDBHSA-N 0 3 310.401 2.306 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)CC1 ZINC000180287123 199141117 /nfs/dbraw/zinc/14/11/17/199141117.db2.gz KPZMOXIYECQNIK-UHFFFAOYSA-N 0 3 317.433 2.366 20 30 DEEDHN CCc1ccccc1[C@@H](N)CNC(=O)COc1ccc(C#N)cc1 ZINC000593908160 358169125 /nfs/dbraw/zinc/16/91/25/358169125.db2.gz BUVJNTQOGNDWPZ-SFHVURJKSA-N 0 3 323.396 2.316 20 30 DEEDHN Cn1cc(CN[C@H]2C[C@H](O)C2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180448745 199160781 /nfs/dbraw/zinc/16/07/81/199160781.db2.gz XXAVEUBEAMWSOV-HOTGVXAUSA-N 0 3 310.401 2.208 20 30 DEEDHN Cc1csc(NC(=O)Nc2cnn(CCN(C)C)c2)c1C#N ZINC000594105115 358206749 /nfs/dbraw/zinc/20/67/49/358206749.db2.gz JBGSHCJZQWVRKQ-UHFFFAOYSA-N 0 3 318.406 2.330 20 30 DEEDHN N#Cc1ccc(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594209556 358224555 /nfs/dbraw/zinc/22/45/55/358224555.db2.gz SICCSYBWHJHPGF-DLBZAZTESA-N 0 3 312.417 2.374 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000594284268 358238735 /nfs/dbraw/zinc/23/87/35/358238735.db2.gz TXUFHBSAIYAYGQ-ZMSDIMECSA-N 0 3 304.438 2.339 20 30 DEEDHN Cc1ccccc1O[C@@H](C)CNC(=O)[C@@H](N)CCCCC#N ZINC000594432668 358268561 /nfs/dbraw/zinc/26/85/61/358268561.db2.gz FWOOBCVZIKGILO-GJZGRUSLSA-N 0 3 303.406 2.290 20 30 DEEDHN Cc1ccccc1O[C@H](C)CNC(=O)[C@@H](N)CCCCC#N ZINC000594432667 358268738 /nfs/dbraw/zinc/26/87/38/358268738.db2.gz FWOOBCVZIKGILO-CABCVRRESA-N 0 3 303.406 2.290 20 30 DEEDHN CCN1CCC(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618797329 363603972 /nfs/dbraw/zinc/60/39/72/363603972.db2.gz PGHSAXPHKZOLQV-QGZVFWFLSA-N 0 3 312.417 2.329 20 30 DEEDHN CN1CCCN(c2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)CC1 ZINC000180717357 199201252 /nfs/dbraw/zinc/20/12/52/199201252.db2.gz JVQCHTJCDOASHE-UHFFFAOYSA-N 0 3 323.400 2.281 20 30 DEEDHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618811659 363608932 /nfs/dbraw/zinc/60/89/32/363608932.db2.gz AQSUYCOIFFQFMO-RHSMWYFYSA-N 0 3 312.417 2.187 20 30 DEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)CC1=CCSC1 ZINC000595889054 358573479 /nfs/dbraw/zinc/57/34/79/358573479.db2.gz RHHNJMQYGFBXHE-UHFFFAOYSA-N 0 3 301.415 2.492 20 30 DEEDHN Cn1ncc(C#N)c1NC1CCN(CCc2ccccc2)CC1 ZINC000596078757 358605594 /nfs/dbraw/zinc/60/55/94/358605594.db2.gz YPAPCSRPHXNWCY-UHFFFAOYSA-N 0 3 309.417 2.411 20 30 DEEDHN CS[C@@H]1CN(c2nc(C#N)ccc2C)C[C@@H]1N1CCCC1 ZINC000596194997 358636572 /nfs/dbraw/zinc/63/65/72/358636572.db2.gz CJIJEJRKGIXZPC-LSDHHAIUSA-N 0 3 302.447 2.278 20 30 DEEDHN CN1CCC(N(Cc2ccco2)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181196421 199263335 /nfs/dbraw/zinc/26/33/35/199263335.db2.gz XKWZHIXPMFDSKN-UHFFFAOYSA-N 0 3 312.373 2.216 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000618854407 363617051 /nfs/dbraw/zinc/61/70/51/363617051.db2.gz WFNMELAGXDWIBZ-SJLPKXTDSA-N 0 3 324.428 2.425 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000618854408 363617066 /nfs/dbraw/zinc/61/70/66/363617066.db2.gz WFNMELAGXDWIBZ-WMZOPIPTSA-N 0 3 324.428 2.425 20 30 DEEDHN Cc1noc(C)c1CO[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598606049 359259335 /nfs/dbraw/zinc/25/93/35/359259335.db2.gz YPIQAYBYJYLEIT-HUUCEWRRSA-N 0 3 321.421 2.183 20 30 DEEDHN Cc1nccc([C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1 ZINC000598585720 359250705 /nfs/dbraw/zinc/25/07/05/359250705.db2.gz JZROAYMNFYCOFD-LSDHHAIUSA-N 0 3 302.422 2.265 20 30 DEEDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590541 359253419 /nfs/dbraw/zinc/25/34/19/359253419.db2.gz OHFOERDCGDLZFZ-GDBMZVCRSA-N 0 3 323.481 2.160 20 30 DEEDHN CCn1ccnc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598738335 359309446 /nfs/dbraw/zinc/30/94/46/359309446.db2.gz KDUWWGPYBPBLCC-XJKSGUPXSA-N 0 3 321.384 2.334 20 30 DEEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C[C@@H](O)CC(C)(C)C#N ZINC000598616838 359262265 /nfs/dbraw/zinc/26/22/65/359262265.db2.gz ZELCXPJDBDKCKX-PMPSAXMXSA-N 0 3 314.433 2.341 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599259627 359441828 /nfs/dbraw/zinc/44/18/28/359441828.db2.gz OWLUGYFGBOYEFR-GOSISDBHSA-N 0 3 321.380 2.302 20 30 DEEDHN CN(CCOC(C)(C)C)C[C@@H](O)COc1ccccc1C#N ZINC000599317978 359461322 /nfs/dbraw/zinc/46/13/22/359461322.db2.gz DJBWMUKRYWWLBL-OAHLLOKOSA-N 0 3 306.406 2.045 20 30 DEEDHN COC(=O)[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)Cc2ccccc21 ZINC000599684160 359571357 /nfs/dbraw/zinc/57/13/57/359571357.db2.gz UGUOBAPKLVZJCJ-GOEBONIOSA-N 0 3 316.401 2.060 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000187727073 200149896 /nfs/dbraw/zinc/14/98/96/200149896.db2.gz ZXNPBZACQWQYDG-UONOGXRCSA-N 0 3 305.447 2.281 20 30 DEEDHN C=C(C)[C@H](NC[C@@H](O)Cn1cccn1)c1ccc(F)c(F)c1 ZINC000187771470 200154773 /nfs/dbraw/zinc/15/47/73/200154773.db2.gz CMJFIEOHULTTFV-CJNGLKHVSA-N 0 3 307.344 2.429 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)CC1 ZINC000668370210 540655652 /nfs/dbraw/zinc/65/56/52/540655652.db2.gz QHUASJCHJDHUJA-QZTJIDSGSA-N 0 3 314.429 2.183 20 30 DEEDHN CN(CCNC(=O)C(C#N)CCc1ccccc1)CC(F)F ZINC000600801607 359832747 /nfs/dbraw/zinc/83/27/47/359832747.db2.gz JBSRPCQEOVOURN-CQSZACIVSA-N 0 3 309.360 2.072 20 30 DEEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000601548202 360069974 /nfs/dbraw/zinc/06/99/74/360069974.db2.gz LLXZSOKZZCHZSA-CYBMUJFWSA-N 0 3 305.378 2.444 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)NCCCC#N)C2)cc1 ZINC000601593495 360081556 /nfs/dbraw/zinc/08/15/56/360081556.db2.gz QQBPCFOTJMIRRE-MRXNPFEDSA-N 0 3 300.406 2.172 20 30 DEEDHN CC(C)C[C@](C)(C#N)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000602280513 360329038 /nfs/dbraw/zinc/32/90/38/360329038.db2.gz AQMNIIDQXZFLTH-QGZVFWFLSA-N 0 3 318.421 2.080 20 30 DEEDHN COc1cc(OC)c2c(c1)N(C(=O)[C@@H](N)CCCC#N)CCC2 ZINC000602539655 360423461 /nfs/dbraw/zinc/42/34/61/360423461.db2.gz UPTNHGRNZKGBBT-AWEZNQCLSA-N 0 3 317.389 2.004 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)NCC1(N(C)C)CC1 ZINC000602810730 360567283 /nfs/dbraw/zinc/56/72/83/360567283.db2.gz IBYLXZWEGIMWKZ-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN CCN(C[C@@H](C)C#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602770832 360544802 /nfs/dbraw/zinc/54/48/02/360544802.db2.gz YKXIAQKPHCINOO-WMZOPIPTSA-N 0 3 301.434 2.105 20 30 DEEDHN C[C@H]1OCC[C@@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000602770998 360545311 /nfs/dbraw/zinc/54/53/11/360545311.db2.gz BUPOSYCRQDVKCQ-UKRRQHHQSA-N 0 3 303.381 2.244 20 30 DEEDHN N#Cc1cccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1F ZINC000602893366 360613866 /nfs/dbraw/zinc/61/38/66/360613866.db2.gz UZWOHISDBHRXSJ-RDJZCZTQSA-N 0 3 318.392 2.497 20 30 DEEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000602929272 360630782 /nfs/dbraw/zinc/63/07/82/360630782.db2.gz NSBLLYWOAKHVLR-SJCJKPOMSA-N 0 3 302.374 2.198 20 30 DEEDHN CC[C@@H](N)c1cn(Cc2c(C#N)c(C)nn2-c2ccccc2)nn1 ZINC000603186799 360737925 /nfs/dbraw/zinc/73/79/25/360737925.db2.gz VNYOOLUSYBYGDO-OAHLLOKOSA-N 0 3 321.388 2.102 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCCN1C)C(C)C ZINC000606371265 361000602 /nfs/dbraw/zinc/00/06/02/361000602.db2.gz FZSGXOJGHJRDME-IAGOWNOFSA-N 0 3 307.482 2.286 20 30 DEEDHN CN1CC[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Br)C1 ZINC000609590250 361324805 /nfs/dbraw/zinc/32/48/05/361324805.db2.gz GPMPRZWKYTVVPG-MFKMUULPSA-N 0 3 322.206 2.082 20 30 DEEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000610158157 361364485 /nfs/dbraw/zinc/36/44/85/361364485.db2.gz UBTDLKLSIUAUMM-ZDUSSCGKSA-N 0 3 324.222 2.472 20 30 DEEDHN CN(C)Cc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000446651352 238779923 /nfs/dbraw/zinc/77/99/23/238779923.db2.gz ADSRLKAIMMXEHX-UHFFFAOYSA-N 0 3 322.368 2.197 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)NCc1cccc(C#N)c1 ZINC000610719149 361452101 /nfs/dbraw/zinc/45/21/01/361452101.db2.gz SXTJZUFRJFPWFQ-MRXNPFEDSA-N 0 3 300.406 2.232 20 30 DEEDHN C[C@H](C#N)CN(C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000611091096 361524962 /nfs/dbraw/zinc/52/49/62/361524962.db2.gz DUCKJNKCCRPYAR-QAPCUYQASA-N 0 3 301.434 2.103 20 30 DEEDHN C[C@@H]1CN(c2ccc(C#N)nn2)[C@@H](C)CN1Cc1ccccc1 ZINC000611242729 361558881 /nfs/dbraw/zinc/55/88/81/361558881.db2.gz SLQHQXDGEOYSAA-CABCVRRESA-N 0 3 307.401 2.447 20 30 DEEDHN CCN1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000611518502 361621216 /nfs/dbraw/zinc/62/12/16/361621216.db2.gz IOZYEUFMOZUSSR-OAHLLOKOSA-N 0 3 323.444 2.485 20 30 DEEDHN COc1cc(CNCCOc2ncccc2F)ccc1C#N ZINC000281585564 216402145 /nfs/dbraw/zinc/40/21/45/216402145.db2.gz DRRITZIMPCWTPP-UHFFFAOYSA-N 0 3 301.321 2.270 20 30 DEEDHN C=C[C@@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)C(=O)OC ZINC000619703561 363861218 /nfs/dbraw/zinc/86/12/18/363861218.db2.gz NBHXBDVNZVQKFZ-IAGOWNOFSA-N 0 3 302.418 2.214 20 30 DEEDHN CSCCCN(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000619623989 363843886 /nfs/dbraw/zinc/84/38/86/363843886.db2.gz KXEUPYZSAOTHEO-OAHLLOKOSA-N 0 3 308.447 2.177 20 30 DEEDHN CN(C)C1(CNC(=O)N(C)Cc2cccc(C#N)c2)CCC1 ZINC000275483099 212363519 /nfs/dbraw/zinc/36/35/19/212363519.db2.gz OPBPIUCXYLMVMO-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](O)c2cccc(F)c2)CC1 ZINC000091442756 193056172 /nfs/dbraw/zinc/05/61/72/193056172.db2.gz SJJGQIDVVNVPSM-QGZVFWFLSA-N 0 3 320.408 2.406 20 30 DEEDHN CC[C@@H](C)CN(CC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091589313 193076663 /nfs/dbraw/zinc/07/66/63/193076663.db2.gz HTPXWFOAQRRPBZ-SJORKVTESA-N 0 3 322.497 2.047 20 30 DEEDHN C=CCN1CCC(NC(=O)c2nnc(-c3ccccc3)o2)CC1 ZINC000631349611 368167911 /nfs/dbraw/zinc/16/79/11/368167911.db2.gz JLLOIDUTSBPXLP-UHFFFAOYSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000451594100 243177573 /nfs/dbraw/zinc/17/75/73/243177573.db2.gz AFBWYYHSLAPTAO-WTTBNOFXSA-N 0 3 302.418 2.494 20 30 DEEDHN C=CCOc1ccccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000678237139 541696159 /nfs/dbraw/zinc/69/61/59/541696159.db2.gz NPNUJSORVQPVHD-ZWKOTPCHSA-N 0 3 316.445 2.282 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456334135 247098423 /nfs/dbraw/zinc/09/84/23/247098423.db2.gz LZNSURLYFDCFKH-QFBILLFUSA-N 0 3 316.445 2.294 20 30 DEEDHN C=CCCOCc1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000680782043 542046648 /nfs/dbraw/zinc/04/66/48/542046648.db2.gz PBPISWUVWZVBQR-UHFFFAOYSA-N 0 3 318.377 2.165 20 30 DEEDHN CO[C@@H]([C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000456592576 247294392 /nfs/dbraw/zinc/29/43/92/247294392.db2.gz 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/nfs/dbraw/zinc/34/59/95/248345995.db2.gz QAUCYQPUILIVIS-UHFFFAOYSA-N 0 3 324.469 2.067 20 30 DEEDHN CN(C)C/C=C\C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000492276809 249029465 /nfs/dbraw/zinc/02/94/65/249029465.db2.gz MVNYBAPXGZBZFN-IRBQFCFKSA-N 0 3 322.206 2.248 20 30 DEEDHN CC(C)[C@@H](CCO)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000274059090 211316535 /nfs/dbraw/zinc/31/65/35/211316535.db2.gz QEQLWGBYSAMJGY-CYBMUJFWSA-N 0 3 309.797 2.147 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000329850337 404470435 /nfs/dbraw/zinc/47/04/35/404470435.db2.gz QEEBULZQZJMRAU-DOMZBBRYSA-N 0 3 319.453 2.363 20 30 DEEDHN C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000105153990 194078896 /nfs/dbraw/zinc/07/88/96/194078896.db2.gz MSEZNHWVJNEEOI-CZUORRHYSA-N 0 3 300.406 2.355 20 30 DEEDHN C[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N(C)C1CC1 ZINC000105267708 194090557 /nfs/dbraw/zinc/09/05/57/194090557.db2.gz WOEGBQDOZZGWOD-CYBMUJFWSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nn2cnc3ccccc32)CC1 ZINC000106255821 194192583 /nfs/dbraw/zinc/19/25/83/194192583.db2.gz FSXIOADXPUZDOL-UHFFFAOYSA-N 0 3 313.405 2.330 20 30 DEEDHN Cc1nc(C)c(CCNCc2cnc3c(C#N)cnn3c2)s1 ZINC000553035994 291731407 /nfs/dbraw/zinc/73/14/07/291731407.db2.gz WFDBCKWAWLLZJA-UHFFFAOYSA-N 0 3 312.402 2.007 20 30 DEEDHN C=CCNC(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273575608 210883733 /nfs/dbraw/zinc/88/37/33/210883733.db2.gz YXKKUGZMPGNZPF-CVEARBPZSA-N 0 3 306.381 2.280 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(C#N)cn1)N(C)Cc1ccccc1 ZINC000110351448 194323261 /nfs/dbraw/zinc/32/32/61/194323261.db2.gz JHOUVDJXXKQACG-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN COCCN1CC[C@@H](NC(=O)NCC2CCC(C)(C)CC2)C1 ZINC000330468457 532974025 /nfs/dbraw/zinc/97/40/25/532974025.db2.gz BEMMJAKVLHRJRC-OAHLLOKOSA-N 0 3 311.470 2.427 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000493209900 533047125 /nfs/dbraw/zinc/04/71/25/533047125.db2.gz SROYUUBXSRJWGM-HJWRWDBZSA-N 0 3 307.397 2.175 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)CCC1 ZINC000682934101 542378780 /nfs/dbraw/zinc/37/87/80/542378780.db2.gz IJJQWFKZRDRWKL-CALCHBBNSA-N 0 3 319.493 2.408 20 30 DEEDHN COC[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000377933002 533083568 /nfs/dbraw/zinc/08/35/68/533083568.db2.gz SFXCLXDXNLPUIW-SAGYGOJTSA-N 0 3 300.402 2.394 20 30 DEEDHN COCC1(C#N)CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000341976593 533112026 /nfs/dbraw/zinc/11/20/26/533112026.db2.gz KWJZHLMCXOUQEP-UHFFFAOYSA-N 0 3 300.402 2.416 20 30 DEEDHN CSC(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000156690118 197134034 /nfs/dbraw/zinc/13/40/34/197134034.db2.gz DCQAWWSWNTXRQL-UHFFFAOYSA-N 0 3 312.460 2.063 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1 ZINC000378331687 533162265 /nfs/dbraw/zinc/16/22/65/533162265.db2.gz GMYCAWQEWKFVBD-AWEZNQCLSA-N 0 3 313.401 2.080 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H](CO)C2CCCC2)c(C#N)c1C ZINC000289526933 221042088 /nfs/dbraw/zinc/04/20/88/221042088.db2.gz MQTSFVBTQHRZIP-CQSZACIVSA-N 0 3 321.446 2.316 20 30 DEEDHN C[C@@H]1CCC[C@H](C)[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289764134 221208632 /nfs/dbraw/zinc/20/86/32/221208632.db2.gz IGLPSEMQLDCPIR-VIKVFOODSA-N 0 3 321.446 2.141 20 30 DEEDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC000289777587 221219705 /nfs/dbraw/zinc/21/97/05/221219705.db2.gz GVNXBSADTOGGAF-QGZVFWFLSA-N 0 3 323.400 2.339 20 30 DEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(OC)c1OC ZINC000330896129 533222979 /nfs/dbraw/zinc/22/29/79/533222979.db2.gz GPQCHSYXCQTHCL-NWDGAFQWSA-N 0 3 322.405 2.500 20 30 DEEDHN C[C@@H](CC#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194630060 533405783 /nfs/dbraw/zinc/40/57/83/533405783.db2.gz ZLPHRRAOECDVAT-DZGCQCFKSA-N 0 3 303.381 2.456 20 30 DEEDHN N#Cc1ccncc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000362327542 133224008 /nfs/dbraw/zinc/22/40/08/133224008.db2.gz SVGBALAWZNQFHE-IRXDYDNUSA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130719 133261709 /nfs/dbraw/zinc/26/17/09/133261709.db2.gz FPGIPHYWJUEJBI-DLBZAZTESA-N 0 3 319.412 2.307 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429530652 285648467 /nfs/dbraw/zinc/64/84/67/285648467.db2.gz VHPKMLQGQOMYER-RRFJBIMHSA-N 0 3 307.438 2.265 20 30 DEEDHN N#Cc1ccc(SCC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000103084535 144621786 /nfs/dbraw/zinc/62/17/86/144621786.db2.gz MOFQZDHMOVPYFG-OAHLLOKOSA-N 0 3 315.442 2.347 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](C2CC2)C(C)(C)CO)c1C#N ZINC000550461278 285871648 /nfs/dbraw/zinc/87/16/48/285871648.db2.gz FQTKLFIGAZHBNA-INIZCTEOSA-N 0 3 316.401 2.232 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC([C@H]3CCOC3)CC2)CC1 ZINC000364650659 404486407 /nfs/dbraw/zinc/48/64/07/404486407.db2.gz VCARQWUBXFCZMM-INIZCTEOSA-N 0 3 321.465 2.095 20 30 DEEDHN C[C@@H](c1cnn(C)c1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000348920079 146329654 /nfs/dbraw/zinc/32/96/54/146329654.db2.gz OJXQBOPONUKTJJ-ZDUSSCGKSA-N 0 3 311.389 2.313 20 30 DEEDHN N#Cc1csc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000552020492 285935059 /nfs/dbraw/zinc/93/50/59/285935059.db2.gz RUERELVHJHUNPK-CQSZACIVSA-N 0 3 318.446 2.390 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCc3ccccc3OC2)c1 ZINC000366970996 147697243 /nfs/dbraw/zinc/69/72/43/147697243.db2.gz VTMPAJNSSNSHCX-QGZVFWFLSA-N 0 3 321.380 2.480 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccccc2C=O)CC1 ZINC000110734346 401693978 /nfs/dbraw/zinc/69/39/78/401693978.db2.gz CYEWJTHFHZZXQQ-UHFFFAOYSA-N 0 3 316.401 2.035 20 30 DEEDHN C=CCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000073257620 401716792 /nfs/dbraw/zinc/71/67/92/401716792.db2.gz URCJSCJWJSAKEG-INIZCTEOSA-N 0 3 303.406 2.317 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(NCC)s2)CC1 ZINC000128718863 401789083 /nfs/dbraw/zinc/78/90/83/401789083.db2.gz PLXHPBRLNLLOTQ-UHFFFAOYSA-N 0 3 308.451 2.345 20 30 DEEDHN N#CC(C(=O)c1ccccc1SCC(N)=O)c1ccccn1 ZINC000041481990 401929004 /nfs/dbraw/zinc/92/90/04/401929004.db2.gz IWMCWHIYFIMSHE-GFCCVEGCSA-N 0 3 311.366 2.149 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncccc2OC(C)C)CC1 ZINC000079890434 401883264 /nfs/dbraw/zinc/88/32/64/401883264.db2.gz OJCQDPGINBMZJV-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000118270722 401894259 /nfs/dbraw/zinc/89/42/59/401894259.db2.gz WVUGMEPAMNUZKW-IRXDYDNUSA-N 0 3 320.477 2.289 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135013411 401923688 /nfs/dbraw/zinc/92/36/88/401923688.db2.gz QHJWRDFBFBGVMC-OAHLLOKOSA-N 0 3 315.417 2.305 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729423 401959393 /nfs/dbraw/zinc/95/93/93/401959393.db2.gz ZCWVJOJFKVICNV-PBHICJAKSA-N 0 3 300.402 2.359 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000089824407 401966592 /nfs/dbraw/zinc/96/65/92/401966592.db2.gz VAPCSOKCPBDBHV-MRXNPFEDSA-N 0 3 315.417 2.122 20 30 DEEDHN COc1ccccc1C(C)(C)NCCC(=O)N(C)CCC#N ZINC000092803758 402009751 /nfs/dbraw/zinc/00/97/51/402009751.db2.gz HRZQUHQERSYPKR-UHFFFAOYSA-N 0 3 303.406 2.282 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(CCCCO)C1CC1 ZINC000152514324 402099164 /nfs/dbraw/zinc/09/91/64/402099164.db2.gz WNGRKHBQHIRBQU-UHFFFAOYSA-N 0 3 304.390 2.183 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccnn1)C(C)C ZINC000151907929 402064487 /nfs/dbraw/zinc/06/44/87/402064487.db2.gz BXGFDZZPZYKIKK-AWEZNQCLSA-N 0 3 303.410 2.297 20 30 DEEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000153303111 402138377 /nfs/dbraw/zinc/13/83/77/402138377.db2.gz ZOONOGAWDQDFKM-ZDUSSCGKSA-N 0 3 323.400 2.237 20 30 DEEDHN C=C(Cl)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000066666563 402139748 /nfs/dbraw/zinc/13/97/48/402139748.db2.gz LYDPXILHNLWQCT-UHFFFAOYSA-N 0 3 307.869 2.489 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCc2ccc(OC)cc2)CC1 ZINC000066921766 402146582 /nfs/dbraw/zinc/14/65/82/402146582.db2.gz CTINMPOEMYFGON-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cnc12 ZINC000566242196 292220996 /nfs/dbraw/zinc/22/09/96/292220996.db2.gz HTXOCPWBXSWLMH-XHSDSOJGSA-N 0 3 323.400 2.038 20 30 DEEDHN COCCOC[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154051778 402189119 /nfs/dbraw/zinc/18/91/19/402189119.db2.gz ICBIBDQNRNSUJP-HNNXBMFYSA-N 0 3 304.390 2.052 20 30 DEEDHN N#Cc1cc(N2CCCN(CCO)CC2)ccc1C(F)(F)F ZINC000154058907 402189843 /nfs/dbraw/zinc/18/98/43/402189843.db2.gz LOZVYZISJWCHDJ-UHFFFAOYSA-N 0 3 313.323 2.081 20 30 DEEDHN COCCCOc1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000102118729 402163220 /nfs/dbraw/zinc/16/32/20/402163220.db2.gz INZFPCACUTXUCJ-CQSZACIVSA-N 0 3 311.341 2.382 20 30 DEEDHN COCCCOc1ccc(C(=O)C(C#N)c2ccccn2)cn1 ZINC000102118729 402163223 /nfs/dbraw/zinc/16/32/23/402163223.db2.gz INZFPCACUTXUCJ-CQSZACIVSA-N 0 3 311.341 2.382 20 30 DEEDHN CN(CCCCC#N)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000102399990 402167239 /nfs/dbraw/zinc/16/72/39/402167239.db2.gz AGRGOJKLTSSMMH-UHFFFAOYSA-N 0 3 324.446 2.485 20 30 DEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H](CO)C(C)C)cc1C ZINC000156341054 402279932 /nfs/dbraw/zinc/27/99/32/402279932.db2.gz PEVONIIJXZOPBN-QGZVFWFLSA-N 0 3 317.433 2.157 20 30 DEEDHN C=CC1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000158512011 402307161 /nfs/dbraw/zinc/30/71/61/402307161.db2.gz CLZWFYNXUMHTJF-SFHVURJKSA-N 0 3 315.461 2.304 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185795912 402377843 /nfs/dbraw/zinc/37/78/43/402377843.db2.gz KHWXXHAXHVZNRZ-VNHYZAJKSA-N 0 3 321.446 2.328 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176730625 402331429 /nfs/dbraw/zinc/33/14/29/402331429.db2.gz BILXOQCSMSSRMJ-QZTJIDSGSA-N 0 3 311.429 2.495 20 30 DEEDHN CC#CCCCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000185192628 402332996 /nfs/dbraw/zinc/33/29/96/402332996.db2.gz AJSYWOPZKRCMNQ-UHFFFAOYSA-N 0 3 302.418 2.437 20 30 DEEDHN CC(C)(CC(N)=O)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000186254761 402415559 /nfs/dbraw/zinc/41/55/59/402415559.db2.gz XFSNPMDWCWBCGC-UHFFFAOYSA-N 0 3 314.307 2.180 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C(C)(C)O ZINC000162583771 402425136 /nfs/dbraw/zinc/42/51/36/402425136.db2.gz JFKOVOJBEZXGAB-MRXNPFEDSA-N 0 3 304.390 2.181 20 30 DEEDHN C[C@@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000189573198 402546453 /nfs/dbraw/zinc/54/64/53/402546453.db2.gz SYFKBKMLYSDDHX-HZPDHXFCSA-N 0 3 315.461 2.375 20 30 DEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](N2CCCC2)C1 ZINC000170712392 402515905 /nfs/dbraw/zinc/51/59/05/402515905.db2.gz HXKOVLXAQSESJH-ZBFHGGJFSA-N 0 3 312.417 2.055 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCCN(C)Cc1ccccc1 ZINC000188353432 402519859 /nfs/dbraw/zinc/51/98/59/402519859.db2.gz ZFNCDYHIJBIRGA-GOSISDBHSA-N 0 3 304.434 2.463 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1snnc1C)C(C)C ZINC000190462079 402602917 /nfs/dbraw/zinc/60/29/17/402602917.db2.gz ONJHIBCGEYIMRI-CYBMUJFWSA-N 0 3 308.451 2.275 20 30 DEEDHN CN(C)CCOc1ccc(CNC(=O)NCCCCC#N)cc1 ZINC000171739164 402616928 /nfs/dbraw/zinc/61/69/28/402616928.db2.gz GNDHYWUTZNENNI-UHFFFAOYSA-N 0 3 318.421 2.120 20 30 DEEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1F ZINC000180898857 402630136 /nfs/dbraw/zinc/63/01/36/402630136.db2.gz QSZKZTZKDKSYGR-UPTRSRDDSA-N 0 3 317.364 2.393 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000329912611 404492610 /nfs/dbraw/zinc/49/26/10/404492610.db2.gz OJJQMCMVBUQQQH-FGTMMUONSA-N 0 3 323.396 2.126 20 30 DEEDHN N#Cc1cc(F)ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000172428429 402655516 /nfs/dbraw/zinc/65/55/16/402655516.db2.gz CSMWWRKQYHDSQD-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCO1 ZINC000182310256 402680384 /nfs/dbraw/zinc/68/03/84/402680384.db2.gz LOVLMMKCPUYEME-KBPBESRZSA-N 0 3 305.378 2.254 20 30 DEEDHN C[C@H](CCNS(=O)(=O)c1ccccc1C#N)N1CCCCC1 ZINC000183287938 402753502 /nfs/dbraw/zinc/75/35/02/402753502.db2.gz DOHNFLJZNUXVPN-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN COc1ccc([C@@H](N[C@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000192963652 402758768 /nfs/dbraw/zinc/75/87/68/402758768.db2.gz QEIIPDVZPRFULR-DYVFJYSZSA-N 0 3 315.417 2.496 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N[C@](C)(C#N)C2CC2)C12CCCC2 ZINC000347707570 286278188 /nfs/dbraw/zinc/27/81/88/286278188.db2.gz QJDPDOUNEAVUNG-BFYDXBDKSA-N 0 3 319.449 2.122 20 30 DEEDHN CC1(C#N)CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000272480753 402942467 /nfs/dbraw/zinc/94/24/67/402942467.db2.gz BAIFNMTZZVHKQI-OAHLLOKOSA-N 0 3 306.381 2.329 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272511041 402946626 /nfs/dbraw/zinc/94/66/26/402946626.db2.gz WWIDEJRVKHWLLF-UKRRQHHQSA-N 0 3 314.389 2.125 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000279500975 402949189 /nfs/dbraw/zinc/94/91/89/402949189.db2.gz SNUWMKCNIRVZHO-GOSISDBHSA-N 0 3 317.433 2.458 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000265941310 402964149 /nfs/dbraw/zinc/96/41/49/402964149.db2.gz HVZFLWFEEMOVLP-GRDNDAEWSA-N 0 3 315.417 2.124 20 30 DEEDHN C[C@@]1(NCC(=O)Nc2sccc2C#N)CCO[C@@H]1C1CC1 ZINC000273042641 402965095 /nfs/dbraw/zinc/96/50/95/402965095.db2.gz IVZGQTKNOYMLAP-UKRRQHHQSA-N 0 3 305.403 2.105 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCCO1 ZINC000279910255 402965336 /nfs/dbraw/zinc/96/53/36/402965336.db2.gz DWPUQEDJCLKVAY-JQFCIGGWSA-N 0 3 311.385 2.314 20 30 DEEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000265466590 402921283 /nfs/dbraw/zinc/92/12/83/402921283.db2.gz HDQLWXKGWFXYHJ-OAHLLOKOSA-N 0 3 319.405 2.094 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000279287555 402926872 /nfs/dbraw/zinc/92/68/72/402926872.db2.gz PDAJIKCZSJOTLG-USXIJHARSA-N 0 3 304.434 2.124 20 30 DEEDHN Cc1nn(C)cc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280321834 402987989 /nfs/dbraw/zinc/98/79/89/402987989.db2.gz GUJYPDKVYWPJGQ-WBMJQRKESA-N 0 3 321.384 2.160 20 30 DEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000273418493 403002950 /nfs/dbraw/zinc/00/29/50/403002950.db2.gz IVNAENYELFLJHK-UKRRQHHQSA-N 0 3 309.406 2.308 20 30 DEEDHN CSC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280588632 403016062 /nfs/dbraw/zinc/01/60/62/403016062.db2.gz WLIHXTYSTOPYNP-CQSZACIVSA-N 0 3 301.415 2.498 20 30 DEEDHN C#CCCOc1ccc(CNCC2([S@@](C)=O)CCC2)cc1 ZINC000280682096 403026498 /nfs/dbraw/zinc/02/64/98/403026498.db2.gz QTZYPZXEKOTMAY-OAQYLSRUSA-N 0 3 305.443 2.480 20 30 DEEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000280311062 402986869 /nfs/dbraw/zinc/98/68/69/402986869.db2.gz GBNOVUTUXZPQNI-JKSUJKDBSA-N 0 3 313.401 2.418 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCOC1)C(C)C ZINC000267305559 403034896 /nfs/dbraw/zinc/03/48/96/403034896.db2.gz GWSSPPRBSQRERC-IRXDYDNUSA-N 0 3 323.481 2.363 20 30 DEEDHN C=CCOc1ccc(CN[C@@](C)(CCO)COC)cc1OC ZINC000267322858 403036149 /nfs/dbraw/zinc/03/61/49/403036149.db2.gz FWJWTQUUJOXKKF-KRWDZBQOSA-N 0 3 309.406 2.137 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000280902468 403048400 /nfs/dbraw/zinc/04/84/00/403048400.db2.gz BRCNTEJWMKVAAX-NWDGAFQWSA-N 0 3 321.446 2.459 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000268153789 403055402 /nfs/dbraw/zinc/05/54/02/403055402.db2.gz NFRZFNCZFRPOBH-SUMWQHHRSA-N 0 3 312.417 2.182 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(C)nc2C2CC2)CC1 ZINC000281186211 403060231 /nfs/dbraw/zinc/06/02/31/403060231.db2.gz IAMWHXWHPJUKBS-UHFFFAOYSA-N 0 3 300.406 2.043 20 30 DEEDHN CCC(O)(CC)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281300551 403062903 /nfs/dbraw/zinc/06/29/03/403062903.db2.gz TZGAOCLAUQXAHF-MRXNPFEDSA-N 0 3 313.401 2.298 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000281536684 403070848 /nfs/dbraw/zinc/07/08/48/403070848.db2.gz KFJHPFRNQNOYKV-CVEARBPZSA-N 0 3 319.368 2.157 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)[C@@]12CCCO2 ZINC000281633826 403076964 /nfs/dbraw/zinc/07/69/64/403076964.db2.gz IKVCTOOWLBHKQF-KSZLIROESA-N 0 3 316.401 2.383 20 30 DEEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)C1CCOCC1 ZINC000268465192 403085701 /nfs/dbraw/zinc/08/57/01/403085701.db2.gz GASJWGYPQUQWNS-SMDDNHRTSA-N 0 3 319.430 2.130 20 30 DEEDHN CN(C)C[C@@H](NC(=O)CSCC#N)c1ccc(Cl)cc1 ZINC000282980349 403164303 /nfs/dbraw/zinc/16/43/03/403164303.db2.gz PNGCOPZKGBZNNR-CYBMUJFWSA-N 0 3 311.838 2.316 20 30 DEEDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000269288413 403128532 /nfs/dbraw/zinc/12/85/32/403128532.db2.gz SISVNLAHTNHOMU-SJORKVTESA-N 0 3 310.401 2.237 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269698639 403158502 /nfs/dbraw/zinc/15/85/02/403158502.db2.gz PGOXRBVXDRCMID-DYVFJYSZSA-N 0 3 324.428 2.329 20 30 DEEDHN CC(C)[C@H]1CN(C)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000331247831 403361720 /nfs/dbraw/zinc/36/17/20/403361720.db2.gz WJYGQSJKPYAXQU-QGZVFWFLSA-N 0 3 314.433 2.159 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ccc(=O)[nH]n1)C(C)C ZINC000285482306 403307820 /nfs/dbraw/zinc/30/78/20/403307820.db2.gz BPRLEARMHKZGKE-HOCLYGCPSA-N 0 3 304.438 2.119 20 30 DEEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccc(=O)[nH]n1)C(C)C ZINC000285482303 403307848 /nfs/dbraw/zinc/30/78/48/403307848.db2.gz BPRLEARMHKZGKE-GOEBONIOSA-N 0 3 304.438 2.119 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000285719419 403365205 /nfs/dbraw/zinc/36/52/05/403365205.db2.gz FKYXULNVKSOYNH-QGZVFWFLSA-N 0 3 300.406 2.354 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)COCC(F)F)CC1 ZINC000345549345 403375173 /nfs/dbraw/zinc/37/51/73/403375173.db2.gz PKDYASOCCZKVMR-UHFFFAOYSA-N 0 3 318.408 2.451 20 30 DEEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CSCC#N ZINC000298539136 403408924 /nfs/dbraw/zinc/40/89/24/403408924.db2.gz ZJYNPROXKPJPFD-GOEBONIOSA-N 0 3 315.442 2.386 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2([C@@H](O)C(C)C)CC2)CC1 ZINC000342984362 403418445 /nfs/dbraw/zinc/41/84/45/403418445.db2.gz AAJATQDFUONUMA-INIZCTEOSA-N 0 3 323.481 2.123 20 30 DEEDHN C=CCC[C@@H](NCCCN1CCC[C@H]1C(N)=O)c1ccco1 ZINC000286144252 403458980 /nfs/dbraw/zinc/45/89/80/403458980.db2.gz PDBRIYCEKZYKPF-CABCVRRESA-N 0 3 305.422 2.216 20 30 DEEDHN COc1cccc(OC)c1OC1CCN(C(=O)C(C)C#N)CC1 ZINC000345773691 403478374 /nfs/dbraw/zinc/47/83/74/403478374.db2.gz ZAZAXWGECYMBPP-LBPRGKRZSA-N 0 3 318.373 2.233 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCC2)cc1 ZINC000287117255 403555207 /nfs/dbraw/zinc/55/52/07/403555207.db2.gz KLVDTQBCPHBPKZ-SNVBAGLBSA-N 0 3 307.375 2.046 20 30 DEEDHN Cc1ncc(CO)c(/C=N/CCN(C)Cc2ccccc2)c1O ZINC000299175099 403540972 /nfs/dbraw/zinc/54/09/72/403540972.db2.gz WIMISWYMMGMNGA-YBFXNURJSA-N 0 3 313.401 2.139 20 30 DEEDHN C=CCc1cc(CN[C@@H]2CCC[C@H]2C(=O)NC)cc(OC)c1O ZINC000345818321 403496443 /nfs/dbraw/zinc/49/64/43/403496443.db2.gz OXEYKLKHPSTRHM-HUUCEWRRSA-N 0 3 318.417 2.134 20 30 DEEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000286317751 403498706 /nfs/dbraw/zinc/49/87/06/403498706.db2.gz FGPMMUBVEKOLSZ-INIZCTEOSA-N 0 3 315.417 2.448 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000346848830 403605584 /nfs/dbraw/zinc/60/55/84/403605584.db2.gz OGNOUBCEXDBIFW-RBUKOAKNSA-N 0 3 322.408 2.479 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(C)(C)COCc1ccccc1 ZINC000293932429 403601889 /nfs/dbraw/zinc/60/18/89/403601889.db2.gz IBFQSOPBHGLXNA-UHFFFAOYSA-N 0 3 316.445 2.301 20 30 DEEDHN COCC1(C#N)CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347174332 403618797 /nfs/dbraw/zinc/61/87/97/403618797.db2.gz CGXXQDSROGXIFS-INIZCTEOSA-N 0 3 322.836 2.496 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1nc(C(C)C)c(C)s1 ZINC000294017863 403625161 /nfs/dbraw/zinc/62/51/61/403625161.db2.gz QGHGLHLKVBOWTG-UHFFFAOYSA-N 0 3 307.463 2.189 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1cccc(C#N)c1 ZINC000343539085 403628316 /nfs/dbraw/zinc/62/83/16/403628316.db2.gz VFYKLBPKZMQISJ-JKSUJKDBSA-N 0 3 306.431 2.046 20 30 DEEDHN C=C(CNC(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC000287649948 403642043 /nfs/dbraw/zinc/64/20/43/403642043.db2.gz WGRONUNMQTWKFY-UHFFFAOYSA-N 0 3 317.433 2.110 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnn(CCF)c1)C(C)C ZINC000287764862 403661920 /nfs/dbraw/zinc/66/19/20/403661920.db2.gz XUIONPBBLPJWRO-MRXNPFEDSA-N 0 3 322.428 2.281 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(F)c(C#N)c3)C2)C1 ZINC000294190389 403668818 /nfs/dbraw/zinc/66/88/18/403668818.db2.gz PMIQMDNTJNSTSC-QGZVFWFLSA-N 0 3 301.365 2.255 20 30 DEEDHN C=CCNC(=O)CN[C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000347337281 403669892 /nfs/dbraw/zinc/66/98/92/403669892.db2.gz LKNROKTXXYKMKD-OAHLLOKOSA-N 0 3 303.362 2.122 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000301840050 403688466 /nfs/dbraw/zinc/68/84/66/403688466.db2.gz AERYKRZUEYUIPS-IRXDYDNUSA-N 0 3 308.385 2.001 20 30 DEEDHN COc1cc(CNC[C@H](O)Cc2cccc(F)c2)ccc1C#N ZINC000295127587 403767800 /nfs/dbraw/zinc/76/78/00/403767800.db2.gz OBJZBECQPGZVJZ-QGZVFWFLSA-N 0 3 314.360 2.399 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347454615 403716026 /nfs/dbraw/zinc/71/60/26/403716026.db2.gz WPEZHEWNBUALBW-UHFFFAOYSA-N 0 3 317.433 2.498 20 30 DEEDHN C=CCCOCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000288131031 403730470 /nfs/dbraw/zinc/73/04/70/403730470.db2.gz YZWRNBZZCQRQIG-MRXNPFEDSA-N 0 3 323.412 2.320 20 30 DEEDHN C[C@@H](NC[C@@H](O)COCc1ccco1)c1ccc(C#N)cc1 ZINC000303053661 403747052 /nfs/dbraw/zinc/74/70/52/403747052.db2.gz WSAALECSYGHDGT-CZUORRHYSA-N 0 3 300.358 2.380 20 30 DEEDHN N#CC(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccncn1 ZINC000354466614 403816010 /nfs/dbraw/zinc/81/60/10/403816010.db2.gz MWHBWUIXYOHUSH-SNVBAGLBSA-N 0 3 307.269 2.356 20 30 DEEDHN N#CC(C(=O)c1cncn1-c1ccc(F)cc1)c1ccncn1 ZINC000354468078 403818345 /nfs/dbraw/zinc/81/83/45/403818345.db2.gz PATUMAIREQNIQB-CYBMUJFWSA-N 0 3 307.288 2.291 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)C[C@@H](C)CC)CC1 ZINC000343904037 403785244 /nfs/dbraw/zinc/78/52/44/403785244.db2.gz DHUOWUKVNDYMEZ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)nn1)C(C)C ZINC000411367468 403842061 /nfs/dbraw/zinc/84/20/61/403842061.db2.gz LJHXSAFJPCHZEE-MRXNPFEDSA-N 0 3 302.422 2.213 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000411636587 403919731 /nfs/dbraw/zinc/91/97/31/403919731.db2.gz DPWLSZHKURMFJC-UHFFFAOYSA-N 0 3 317.437 2.362 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](CO)[C@H](C)C1 ZINC000362079345 403923680 /nfs/dbraw/zinc/92/36/80/403923680.db2.gz UDCABTLUJLDPIG-QLFBSQMISA-N 0 3 322.474 2.211 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)N(C)CCC#N)C12CCCC2 ZINC000347702773 286400857 /nfs/dbraw/zinc/40/08/57/286400857.db2.gz JUDSKJMLKKQUIE-QLFBSQMISA-N 0 3 307.438 2.074 20 30 DEEDHN CO/N=C/C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000289375629 403933647 /nfs/dbraw/zinc/93/36/47/403933647.db2.gz BHPGVFSJWAUCOB-LDADJPATSA-N 0 3 318.421 2.096 20 30 DEEDHN CCOC[C@H]1CCCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000313442914 403986407 /nfs/dbraw/zinc/98/64/07/403986407.db2.gz KIJSRZJOSOJZTF-IAGOWNOFSA-N 0 3 318.417 2.189 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc(C2OCCO2)s1 ZINC000289939829 404010214 /nfs/dbraw/zinc/01/02/14/404010214.db2.gz ZKAGDYNYMAYKEV-AAEUAGOBSA-N 0 3 310.419 2.259 20 30 DEEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@H](CC)CO)C1=O ZINC000337201478 403973519 /nfs/dbraw/zinc/97/35/19/403973519.db2.gz FZTIVPUAWFXZRU-IAGOWNOFSA-N 0 3 302.418 2.046 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000290262711 404102079 /nfs/dbraw/zinc/10/20/79/404102079.db2.gz AZLAPJVYJSZYEO-SUMDDJOVSA-N 0 3 316.445 2.340 20 30 DEEDHN COC1([C@@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)CCC1 ZINC000412018950 404059529 /nfs/dbraw/zinc/05/95/29/404059529.db2.gz GVLNWPZHXFOACF-GFCCVEGCSA-N 0 3 305.378 2.254 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCCc2cccc(C#N)c2)CN1C1CC1 ZINC000344325521 404059663 /nfs/dbraw/zinc/05/96/63/404059663.db2.gz HPNHZALSYSISPT-CZUORRHYSA-N 0 3 312.417 2.025 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)CC1 ZINC000290173396 404068095 /nfs/dbraw/zinc/06/80/95/404068095.db2.gz KVHHTEPZENQQJA-SFHVURJKSA-N 0 3 309.413 2.275 20 30 DEEDHN CN(C)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(F)cc1 ZINC000290290408 404113334 /nfs/dbraw/zinc/11/33/34/404113334.db2.gz BMNFTTXVVPNUDY-OAHLLOKOSA-N 0 3 300.337 2.058 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000328223535 404105558 /nfs/dbraw/zinc/10/55/58/404105558.db2.gz AXHSHTLIVGBLFQ-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](CO)[C@@H]1C ZINC000412095126 404129107 /nfs/dbraw/zinc/12/91/07/404129107.db2.gz SRYFXWUMTTYBOV-CGTJXYLNSA-N 0 3 319.445 2.248 20 30 DEEDHN CN(Cc1ccc(C#N)c(F)c1)C(C)(C)CN1CCOCC1 ZINC000412100212 404135658 /nfs/dbraw/zinc/13/56/58/404135658.db2.gz RUHQCNDTMAAYME-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1CCCC1 ZINC000341726507 404138639 /nfs/dbraw/zinc/13/86/39/404138639.db2.gz DNPFAPZJAMJBPE-KRWDZBQOSA-N 0 3 315.417 2.174 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412138998 404154607 /nfs/dbraw/zinc/15/46/07/404154607.db2.gz YZMFCIHLLPEJJU-VIBAHUMZSA-N 0 3 311.429 2.460 20 30 DEEDHN C[C@@H]1COc2ccccc2CN1CCC(=O)N(C)CCC#N ZINC000363720137 404218819 /nfs/dbraw/zinc/21/88/19/404218819.db2.gz QSZPUFUAVJQINC-CQSZACIVSA-N 0 3 301.390 2.032 20 30 DEEDHN CN1C[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](c2ccccc2)C1 ZINC000329003111 404196474 /nfs/dbraw/zinc/19/64/74/404196474.db2.gz HKEOCXVTETVYAD-NXHRZFHOSA-N 0 3 324.428 2.500 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cc(Cl)ccc1OC ZINC000296526252 404291485 /nfs/dbraw/zinc/29/14/85/404291485.db2.gz ZTVBCFDEFKRSHI-UHFFFAOYSA-N 0 3 323.824 2.103 20 30 DEEDHN C[C@H](NC(=O)N1CCC(CC(N)=O)CC1)C1=CCN(C)CC1 ZINC000329268947 404285255 /nfs/dbraw/zinc/28/52/55/404285255.db2.gz DYNIWKJIOIOEEB-LBPRGKRZSA-N 0 3 308.426 2.188 20 30 DEEDHN C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329280307 404289034 /nfs/dbraw/zinc/28/90/34/404289034.db2.gz DOQFJCHTRIMLSA-HIFRSBDPSA-N 0 3 317.433 2.454 20 30 DEEDHN COC(=O)c1nc([C@H]2CCCN2C(=O)C(C)C#N)sc1C ZINC000352402674 404346098 /nfs/dbraw/zinc/34/60/98/404346098.db2.gz WSWXEFZUSPLSBB-PSASIEDQSA-N 0 3 307.375 2.061 20 30 DEEDHN Cn1cc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1C#N ZINC000364331004 404352887 /nfs/dbraw/zinc/35/28/87/404352887.db2.gz IZMVBXZZWCGHNE-INIZCTEOSA-N 0 3 314.433 2.121 20 30 DEEDHN C=CCN(Cc1ccc(OCC(=O)NCC)c(OC)c1)C1CC1 ZINC000350258231 404354551 /nfs/dbraw/zinc/35/45/51/404354551.db2.gz BZGRQLSIALOLJE-UHFFFAOYSA-N 0 3 318.417 2.361 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000296539804 404296574 /nfs/dbraw/zinc/29/65/74/404296574.db2.gz SFNAAHMLGMNBMG-LBPRGKRZSA-N 0 3 309.360 2.280 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1(C)C ZINC000329367780 404316350 /nfs/dbraw/zinc/31/63/50/404316350.db2.gz JACSMPZBBLIDFY-RFBJSHEKSA-N 0 3 309.454 2.032 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000296788265 404321903 /nfs/dbraw/zinc/32/19/03/404321903.db2.gz HJBYTDRATRXDEO-AWEZNQCLSA-N 0 3 305.397 2.483 20 30 DEEDHN C=CCCC1(C(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1 ZINC000355831282 404370313 /nfs/dbraw/zinc/37/03/13/404370313.db2.gz QMKOGLQQUFOMOF-UHFFFAOYSA-N 0 3 319.493 2.219 20 30 DEEDHN CN1CCC(O)(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000329571896 404381273 /nfs/dbraw/zinc/38/12/73/404381273.db2.gz MWZHFQLIFMPJCW-HRCADAONSA-N 0 3 323.481 2.306 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329658982 404411198 /nfs/dbraw/zinc/41/11/98/404411198.db2.gz NXPFXGWZRZRDKC-IXYNUQLISA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@H](C(=O)NCCn1cnnc1C1CC1)N1CCCCCC1 ZINC000329925349 404496561 /nfs/dbraw/zinc/49/65/61/404496561.db2.gz VKHPEGJCSDERPF-CYBMUJFWSA-N 0 3 305.426 2.377 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000297072018 404438302 /nfs/dbraw/zinc/43/83/02/404438302.db2.gz YUYIIMVWAPEMMX-MRXNPFEDSA-N 0 3 317.408 2.280 20 30 DEEDHN C[C@H]1CN(c2ccc(F)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000371349581 404457272 /nfs/dbraw/zinc/45/72/72/404457272.db2.gz KCTDRGFLPMULSX-WMLDXEAASA-N 0 3 316.424 2.160 20 30 DEEDHN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000329810522 404458621 /nfs/dbraw/zinc/45/86/21/404458621.db2.gz BOLZIPOIORXAGJ-IJEWVQPXSA-N 0 3 321.465 2.464 20 30 DEEDHN Cc1nc([C@H](NC(=O)C(C)C#N)c2ccc(Cl)cc2)no1 ZINC000356547395 404585332 /nfs/dbraw/zinc/58/53/32/404585332.db2.gz LISOXFDHIYDTGE-QPUJVOFHSA-N 0 3 304.737 2.397 20 30 DEEDHN CSC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000330222195 404591498 /nfs/dbraw/zinc/59/14/98/404591498.db2.gz RQPUWSZTKYHNSX-NEPJUHHUSA-N 0 3 308.451 2.256 20 30 DEEDHN CSC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000330222195 404591500 /nfs/dbraw/zinc/59/15/00/404591500.db2.gz RQPUWSZTKYHNSX-NEPJUHHUSA-N 0 3 308.451 2.256 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000297573531 404570525 /nfs/dbraw/zinc/57/05/25/404570525.db2.gz SXMPBCGHICLSNK-QGZVFWFLSA-N 0 3 316.449 2.217 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H](C)C#N)cc2)CC1 ZINC000297639895 404574650 /nfs/dbraw/zinc/57/46/50/404574650.db2.gz DFWMUOQCUNGALR-OAHLLOKOSA-N 0 3 314.433 2.201 20 30 DEEDHN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cn1 ZINC000330258757 404605528 /nfs/dbraw/zinc/60/55/28/404605528.db2.gz ROYYEBWCYSSKGQ-XPKDYRNWSA-N 0 3 317.437 2.426 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000330320381 404624916 /nfs/dbraw/zinc/62/49/16/404624916.db2.gz FALFYMNZQQNSRT-FMKPAKJESA-N 0 3 320.437 2.471 20 30 DEEDHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1c(F)cccc1C#N ZINC000351524581 404625151 /nfs/dbraw/zinc/62/51/51/404625151.db2.gz MWOUFSZYLGOGLS-CQSZACIVSA-N 0 3 305.397 2.332 20 30 DEEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)C#N ZINC000345320084 404672765 /nfs/dbraw/zinc/67/27/65/404672765.db2.gz NUQWGUGHXRTFQM-HOCLYGCPSA-N 0 3 300.406 2.054 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccnc(OC)c2)CC1 ZINC000352875472 404675628 /nfs/dbraw/zinc/67/56/28/404675628.db2.gz IIEYGLZPGVBEOX-CYBMUJFWSA-N 0 3 318.421 2.101 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](n2cccn2)C1 ZINC000365837119 404729972 /nfs/dbraw/zinc/72/99/72/404729972.db2.gz HUOAOMGZJKJVAK-HNNXBMFYSA-N 0 3 309.373 2.030 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(C(F)F)c2)CC1 ZINC000357830521 404745846 /nfs/dbraw/zinc/74/58/46/404745846.db2.gz JJHGCVCFYULHQO-UHFFFAOYSA-N 0 3 313.352 2.440 20 30 DEEDHN CC[C@@H](COC)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356854245 404708512 /nfs/dbraw/zinc/70/85/12/404708512.db2.gz UFVZMVKZFKXAFO-GOEBONIOSA-N 0 3 301.390 2.068 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(N)cn1)C(C)C ZINC000358885940 404778735 /nfs/dbraw/zinc/77/87/35/404778735.db2.gz PHNWINFVAGNIMR-QGZVFWFLSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359221980 404787511 /nfs/dbraw/zinc/78/75/11/404787511.db2.gz GLZXQWNSJBYEHY-KRWDZBQOSA-N 0 3 324.428 2.493 20 30 DEEDHN C[C@@H]1CCC[C@@]1(O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000359857988 404807225 /nfs/dbraw/zinc/80/72/25/404807225.db2.gz OXOXSLFQMMXLPL-UWWQBHOKSA-N 0 3 300.402 2.426 20 30 DEEDHN N#Cc1cc2c(nc1NC[C@@H]1CN3CCC[C@@H]3CO1)CCCC2 ZINC000377167886 404834447 /nfs/dbraw/zinc/83/44/47/404834447.db2.gz GMWUMTICMNOHDV-HZPDHXFCSA-N 0 3 312.417 2.107 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1(O)CCC1 ZINC000353475391 404840288 /nfs/dbraw/zinc/84/02/88/404840288.db2.gz XKMUQZJGZMRZKX-CKDBGZEDSA-N 0 3 321.465 2.153 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCC(=O)NCC(F)F ZINC000360918005 404851481 /nfs/dbraw/zinc/85/14/81/404851481.db2.gz HPDADLKBGSZZRP-AWEZNQCLSA-N 0 3 307.344 2.297 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435051812 404952961 /nfs/dbraw/zinc/95/29/61/404952961.db2.gz DXYXFNJCJLGVGM-OAHLLOKOSA-N 0 3 311.429 2.438 20 30 DEEDHN C=CCOc1cccc(CNCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000451221501 404906445 /nfs/dbraw/zinc/90/64/45/404906445.db2.gz JRAHWDJVCTVETN-HDICACEKSA-N 0 3 302.418 2.204 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CCN1C ZINC000353728543 404944135 /nfs/dbraw/zinc/94/41/35/404944135.db2.gz WLTSCTUZPHLAQD-XJKSGUPXSA-N 0 3 312.417 2.329 20 30 DEEDHN Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424088618 405001934 /nfs/dbraw/zinc/00/19/34/405001934.db2.gz GXUDHVMLADCBFF-AWEZNQCLSA-N 0 3 311.389 2.449 20 30 DEEDHN CO[C@]1(C)C[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1(C)C ZINC000451490044 405008895 /nfs/dbraw/zinc/00/88/95/405008895.db2.gz ODXOVUYIGHRJKS-OSRSDYAFSA-N 0 3 309.454 2.223 20 30 DEEDHN COc1ccccc1C[C@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424131120 405016522 /nfs/dbraw/zinc/01/65/22/405016522.db2.gz VTBQSAZAUFGCFP-CVEARBPZSA-N 0 3 317.433 2.400 20 30 DEEDHN Cc1cccc(NC2CCN(C(=O)[C@@H](N)CCCC#N)CC2)c1 ZINC000424143948 405020756 /nfs/dbraw/zinc/02/07/56/405020756.db2.gz KJCNUYSVOGFDKJ-KRWDZBQOSA-N 0 3 314.433 2.419 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000424143575 405021177 /nfs/dbraw/zinc/02/11/77/405021177.db2.gz WLJWVUORYSHWOI-JTQLQIEISA-N 0 3 301.375 2.165 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000424176089 405031135 /nfs/dbraw/zinc/03/11/35/405031135.db2.gz RMNRPZVZVXJIDX-HUUCEWRRSA-N 0 3 321.808 2.261 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000424177962 405031292 /nfs/dbraw/zinc/03/12/92/405031292.db2.gz VPGSLJNNFAQJHU-SNVBAGLBSA-N 0 3 315.295 2.429 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000424180830 405032514 /nfs/dbraw/zinc/03/25/14/405032514.db2.gz WMDSKYHKKBQFJK-HIFRSBDPSA-N 0 3 304.365 2.391 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424043508 404982060 /nfs/dbraw/zinc/98/20/60/404982060.db2.gz YRSQFXCUAQODSN-DUVNUKRYSA-N 0 3 306.381 2.060 20 30 DEEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000451412021 404986247 /nfs/dbraw/zinc/98/62/47/404986247.db2.gz WCSZNHXPIXKVIS-VXGBXAGGSA-N 0 3 305.344 2.411 20 30 DEEDHN COc1ccccc1CN(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424082713 405000097 /nfs/dbraw/zinc/00/00/97/405000097.db2.gz AJMBWLSBCORIEY-HNNXBMFYSA-N 0 3 301.390 2.207 20 30 DEEDHN C=CCn1cc(CN[C@H](CCOC)Cc2cccc(F)c2)nn1 ZINC000424294119 405059235 /nfs/dbraw/zinc/05/92/35/405059235.db2.gz JVKQHCOZCIKLNG-MRXNPFEDSA-N 0 3 318.396 2.341 20 30 DEEDHN COc1cccc([C@@H](CNc2cc(C)ncc2C#N)N(C)C)c1 ZINC000399557962 405062096 /nfs/dbraw/zinc/06/20/96/405062096.db2.gz DHKYRAWSXYVDHG-GOSISDBHSA-N 0 3 310.401 2.407 20 30 DEEDHN Cc1cc(C#N)nc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000367517897 405071708 /nfs/dbraw/zinc/07/17/08/405071708.db2.gz DZYSJRGTKXMNBY-AEFFLSMTSA-N 0 3 319.412 2.367 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000424497431 405106445 /nfs/dbraw/zinc/10/64/45/405106445.db2.gz XAHWQHMGMJNOGW-KURKYZTESA-N 0 3 314.429 2.358 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000424507524 405108106 /nfs/dbraw/zinc/10/81/06/405108106.db2.gz JIQDBRQSVXBYGX-TVFCKZIOSA-N 0 3 314.429 2.182 20 30 DEEDHN CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC(C)(C)C ZINC000361518998 405112462 /nfs/dbraw/zinc/11/24/62/405112462.db2.gz LPWHJSVQYVLUHS-INIZCTEOSA-N 0 3 322.497 2.047 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC000354280207 405136571 /nfs/dbraw/zinc/13/65/71/405136571.db2.gz NLZNVKFJMBTVQZ-UHFFFAOYSA-N 0 3 316.401 2.244 20 30 DEEDHN CCNC(=O)[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000354322130 405156989 /nfs/dbraw/zinc/15/69/89/405156989.db2.gz MSUGMNDKGBHKQT-HZPDHXFCSA-N 0 3 315.417 2.036 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000437473522 405201438 /nfs/dbraw/zinc/20/14/38/405201438.db2.gz MMEOSOJHASDFPE-UAGQMJEPSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000438000049 405227985 /nfs/dbraw/zinc/22/79/85/405227985.db2.gz PJARYKQDQRYUNH-JKSUJKDBSA-N 0 3 323.481 2.389 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CCCC[C@H]1O ZINC000426225900 405345376 /nfs/dbraw/zinc/34/53/76/405345376.db2.gz FPJVZOQDJNFEBX-APHBMKBZSA-N 0 3 301.390 2.121 20 30 DEEDHN C[C@@H]1C[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 ZINC000420905667 405402461 /nfs/dbraw/zinc/40/24/61/405402461.db2.gz RDNHVPPLEFXIMJ-UKRRQHHQSA-N 0 3 303.381 2.387 20 30 DEEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCCN1C ZINC000421016232 405430197 /nfs/dbraw/zinc/43/01/97/405430197.db2.gz YDDPDLGBBYJTFX-AWEZNQCLSA-N 0 3 320.824 2.176 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000429713322 405445072 /nfs/dbraw/zinc/44/50/72/405445072.db2.gz ITRHJJCIUVNOGH-QGZVFWFLSA-N 0 3 315.417 2.212 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCC[C@H]1CCO ZINC000429773147 405448562 /nfs/dbraw/zinc/44/85/62/405448562.db2.gz YLPGTAOLODFKQW-SMDDNHRTSA-N 0 3 321.808 2.291 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C ZINC000455774461 405449362 /nfs/dbraw/zinc/44/93/62/405449362.db2.gz CIPWBPZSBAHSQI-UWVGGRQHSA-N 0 3 307.785 2.211 20 30 DEEDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000430101824 405455125 /nfs/dbraw/zinc/45/51/25/405455125.db2.gz PTYKIXFZHPIABK-IBGZPJMESA-N 0 3 323.396 2.213 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000448977598 405483081 /nfs/dbraw/zinc/48/30/81/405483081.db2.gz TYLSNJIJVQERPZ-UHFFFAOYSA-N 0 3 302.422 2.387 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCC(=O)N[C@H]2C2CC2)c(Cl)c1 ZINC000556517746 405487517 /nfs/dbraw/zinc/48/75/17/405487517.db2.gz DUFSIPMOMXBENH-HOCLYGCPSA-N 0 3 303.793 2.358 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000556770414 405528727 /nfs/dbraw/zinc/52/87/27/405528727.db2.gz WOVXZMBCBYBSBJ-PMPSAXMXSA-N 0 3 321.396 2.071 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(SCC#N)c1 ZINC000421711167 405605800 /nfs/dbraw/zinc/60/58/00/405605800.db2.gz NWJFPKLNFWMMLE-AWEZNQCLSA-N 0 3 303.431 2.468 20 30 DEEDHN N#Cc1ccc(NCC(=O)NCCN2CCCCCC2)c(F)c1 ZINC000431498422 405634115 /nfs/dbraw/zinc/63/41/15/405634115.db2.gz WDYMAANXXJYTIU-UHFFFAOYSA-N 0 3 318.396 2.101 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C#N)cn1 ZINC000580043031 405570865 /nfs/dbraw/zinc/57/08/65/405570865.db2.gz BZMAYBSOCCTBEU-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC2(CCC2)C1 ZINC000528407122 405595306 /nfs/dbraw/zinc/59/53/06/405595306.db2.gz WCOYIYOYLJUHSE-UHFFFAOYSA-N 0 3 308.381 2.162 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000459043719 405711479 /nfs/dbraw/zinc/71/14/79/405711479.db2.gz PDVFNVPQTBMPBZ-HHARLNAUSA-N 0 3 321.465 2.092 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)CSCc1ccc(C#N)cc1 ZINC000457199283 405746811 /nfs/dbraw/zinc/74/68/11/405746811.db2.gz CGIAGHJLZUTIKY-UHFFFAOYSA-N 0 3 305.447 2.248 20 30 DEEDHN C=CCC(CC=C)C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638986681 405800291 /nfs/dbraw/zinc/80/02/91/405800291.db2.gz XPRTXDMALRCREO-UHFFFAOYSA-N 0 3 300.406 2.198 20 30 DEEDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1C#N ZINC000560482765 405829632 /nfs/dbraw/zinc/82/96/32/405829632.db2.gz TXSYLWBWDLQXKN-AWEZNQCLSA-N 0 3 303.381 2.183 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000560424219 405814965 /nfs/dbraw/zinc/81/49/65/405814965.db2.gz AOBCGQMODRRCCI-QGZVFWFLSA-N 0 3 314.389 2.126 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000560739541 405865543 /nfs/dbraw/zinc/86/55/43/405865543.db2.gz JLUPVJOEPJLDNO-UHFFFAOYSA-N 0 3 312.417 2.210 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCOCCC#N)C[C@H]2C1 ZINC000495594452 405925582 /nfs/dbraw/zinc/92/55/82/405925582.db2.gz MQXDBTSPDKFQDO-GJZGRUSLSA-N 0 3 323.437 2.105 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000495658442 405927600 /nfs/dbraw/zinc/92/76/00/405927600.db2.gz OKZGBGARZHBLMU-CYBMUJFWSA-N 0 3 311.426 2.246 20 30 DEEDHN COCCN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000433340430 405927951 /nfs/dbraw/zinc/92/79/51/405927951.db2.gz BPYSLSBXEJELNW-CQSZACIVSA-N 0 3 310.344 2.499 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495785839 405935020 /nfs/dbraw/zinc/93/50/20/405935020.db2.gz KJZLKWFVEQITRH-ZIAGYGMSSA-N 0 3 311.426 2.152 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495960379 405942563 /nfs/dbraw/zinc/94/25/63/405942563.db2.gz GSTDSWHLDCREMH-NWDGAFQWSA-N 0 3 301.346 2.322 20 30 DEEDHN C=CCc1cc(CNC2(CO)CCSCC2)cc(OC)c1O ZINC000459727903 406022808 /nfs/dbraw/zinc/02/28/08/406022808.db2.gz NGZGIIMSAJKFDW-UHFFFAOYSA-N 0 3 323.458 2.477 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459792770 406049335 /nfs/dbraw/zinc/04/93/35/406049335.db2.gz JGBBZWFOJRBNJF-RYQLBKOJSA-N 0 3 320.477 2.449 20 30 DEEDHN N#Cc1cccnc1OC1CCC(NCc2cnccn2)CC1 ZINC000514919455 406055633 /nfs/dbraw/zinc/05/56/33/406055633.db2.gz JXMANCSTHGSNPT-UHFFFAOYSA-N 0 3 309.373 2.223 20 30 DEEDHN CC1CC(C#N)(C(=O)N(C)CCCN(C)Cc2ccncc2)C1 ZINC000563265671 406059450 /nfs/dbraw/zinc/05/94/50/406059450.db2.gz ZXVORKWUCQJDGW-UHFFFAOYSA-N 0 3 314.433 2.302 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000515792211 406079843 /nfs/dbraw/zinc/07/98/43/406079843.db2.gz USEQVMMESNBNMA-ZACQAIPSSA-N 0 3 313.401 2.211 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000632616831 406201177 /nfs/dbraw/zinc/20/11/77/406201177.db2.gz LOUQZFJEHGBSEO-DOTOQJQBSA-N 0 3 322.474 2.250 20 30 DEEDHN C=C(CC)CN1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639701651 406211234 /nfs/dbraw/zinc/21/12/34/406211234.db2.gz HTGBQUHMKNZSNV-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN CS(=O)(=O)c1ccc(CNCCc2cccc(C#N)c2)cc1 ZINC000569405304 406247824 /nfs/dbraw/zinc/24/78/24/406247824.db2.gz HCYOLGNNLVCMTK-UHFFFAOYSA-N 0 3 314.410 2.294 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639962204 406335357 /nfs/dbraw/zinc/33/53/57/406335357.db2.gz PDUMKSSDBDVNJR-QGZVFWFLSA-N 0 3 302.418 2.126 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000489558254 406418319 /nfs/dbraw/zinc/41/83/19/406418319.db2.gz ZFBQQOCGLPTNCH-HNNXBMFYSA-N 0 3 300.468 2.137 20 30 DEEDHN C=CCCCS(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000489667133 406424424 /nfs/dbraw/zinc/42/44/24/406424424.db2.gz QHDBMHLBNNMLDJ-GDBMZVCRSA-N 0 3 312.479 2.231 20 30 DEEDHN COc1ccc(CN2CC[C@H](N[C@@H]3CC[C@H](C#N)C3)C2=O)cc1 ZINC000570355400 406381791 /nfs/dbraw/zinc/38/17/91/406381791.db2.gz SIJFRMWCYSEJSS-UXLLHSPISA-N 0 3 313.401 2.078 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc(F)cc2Cl)CC1 ZINC000490657283 406479598 /nfs/dbraw/zinc/47/95/98/406479598.db2.gz SPEUFVVZIOWKDD-UHFFFAOYSA-N 0 3 322.811 2.483 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000491125547 406531508 /nfs/dbraw/zinc/53/15/08/406531508.db2.gz FODJSLRZYKJNJV-CYBMUJFWSA-N 0 3 310.401 2.085 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000491203492 406543301 /nfs/dbraw/zinc/54/33/01/406543301.db2.gz WTEJTUQAEIYZPZ-AWEZNQCLSA-N 0 3 318.417 2.273 20 30 DEEDHN C#CCNC(=O)C1CCN(CCOc2c(C)cccc2C)CC1 ZINC000491067624 406523722 /nfs/dbraw/zinc/52/37/22/406523722.db2.gz JKRLETMKKBVIRM-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000491461989 406598678 /nfs/dbraw/zinc/59/86/78/406598678.db2.gz GGZSOUKDTPHKIQ-RCBQFDQVSA-N 0 3 303.381 2.282 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(SCCOC)cc1 ZINC000491616306 406632700 /nfs/dbraw/zinc/63/27/00/406632700.db2.gz AQSLRLHPMIWVPK-CQSZACIVSA-N 0 3 320.458 2.215 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CC1 ZINC000491339592 406572296 /nfs/dbraw/zinc/57/22/96/406572296.db2.gz RCRHNIBPUDNIGR-GFCCVEGCSA-N 0 3 317.458 2.154 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000527128504 406586674 /nfs/dbraw/zinc/58/66/74/406586674.db2.gz LZHHRHCNTRHPIJ-FVQBIDKESA-N 0 3 319.449 2.074 20 30 DEEDHN C#CCNC(=O)CCN1CCC(c2cccc(F)c2F)CC1 ZINC000491673718 406662991 /nfs/dbraw/zinc/66/29/91/406662991.db2.gz UUKXUJOJHSFTMK-UHFFFAOYSA-N 0 3 306.356 2.284 20 30 DEEDHN C=C(C)CN(CC)C(=O)Cn1cc(CNC2CCCCC2)nn1 ZINC000640795423 406664852 /nfs/dbraw/zinc/66/48/52/406664852.db2.gz WULAVWBVMMRRCA-UHFFFAOYSA-N 0 3 319.453 2.125 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2sccc2[C@@H]1C ZINC000491698045 406675536 /nfs/dbraw/zinc/67/55/36/406675536.db2.gz ACIBLJBKZOZWQI-ZDUSSCGKSA-N 0 3 305.447 2.332 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000491703633 406678229 /nfs/dbraw/zinc/67/82/29/406678229.db2.gz JUIAQYAKNMTJTN-BLLLJJGKSA-N 0 3 308.809 2.145 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OCC2CC2)cc1 ZINC000491743146 406698802 /nfs/dbraw/zinc/69/88/02/406698802.db2.gz XMEKZDHWGIRHBB-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)NCC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000573472785 406773207 /nfs/dbraw/zinc/77/32/07/406773207.db2.gz CYZHYXAXMIEKOD-GDBMZVCRSA-N 0 3 312.417 2.252 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000572830624 406745535 /nfs/dbraw/zinc/74/55/35/406745535.db2.gz IGEDDHCBQBBCAB-CABCVRRESA-N 0 3 316.401 2.302 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000491765155 406707403 /nfs/dbraw/zinc/70/74/03/406707403.db2.gz BUDKVRQDOSTEND-MRXNPFEDSA-N 0 3 321.852 2.014 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000491929656 406781426 /nfs/dbraw/zinc/78/14/26/406781426.db2.gz CUTJTKNRUSEPPT-AGIUHOORSA-N 0 3 309.410 2.346 20 30 DEEDHN CCc1cc(N2CCC(NC[C@H](C#N)CCC#N)CC2)ncn1 ZINC000575230949 406790348 /nfs/dbraw/zinc/79/03/48/406790348.db2.gz RCQAOBUVNIFYTH-AWEZNQCLSA-N 0 3 312.421 2.041 20 30 DEEDHN CN(C)C[C@H](NC(=O)NCC1(C#N)CC1)c1ccc(F)cc1 ZINC000576015524 406827999 /nfs/dbraw/zinc/82/79/99/406827999.db2.gz BANAPQDECRGUIL-AWEZNQCLSA-N 0 3 304.369 2.031 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000555611467 406849173 /nfs/dbraw/zinc/84/91/73/406849173.db2.gz BMTFWQDRSXQNIF-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CNc2ccnn2C1 ZINC000648033538 407105569 /nfs/dbraw/zinc/10/55/69/407105569.db2.gz LSNKYSNKUADNAD-CQSZACIVSA-N 0 3 316.405 2.088 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CNc2ccnn2C1 ZINC000648033537 407105720 /nfs/dbraw/zinc/10/57/20/407105720.db2.gz LSNKYSNKUADNAD-AWEZNQCLSA-N 0 3 316.405 2.088 20 30 DEEDHN C=CCn1cc(C(=O)N(CCC)CCN2CCCCCC2)nn1 ZINC000648394455 407173426 /nfs/dbraw/zinc/17/34/26/407173426.db2.gz FDAWZOGINBQZFL-UHFFFAOYSA-N 0 3 319.453 2.192 20 30 DEEDHN C[C@@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000189573216 287095666 /nfs/dbraw/zinc/09/56/66/287095666.db2.gz SYFKBKMLYSDDHX-JKSUJKDBSA-N 0 3 315.461 2.375 20 30 DEEDHN NC(=NOCCN1CCCCC1)c1ccc(Br)o1 ZINC000194402363 225180116 /nfs/dbraw/zinc/18/01/16/225180116.db2.gz VHEQHDDRBVRPIP-UHFFFAOYSA-N 0 3 316.199 2.165 20 30 DEEDHN N#CC1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000195335500 225203469 /nfs/dbraw/zinc/20/34/69/225203469.db2.gz PZTSVPPTQJJFQM-HNNXBMFYSA-N 0 3 308.809 2.453 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CSCC#N ZINC000267275093 225354119 /nfs/dbraw/zinc/35/41/19/225354119.db2.gz BBOAOHOZFFXZKW-HOCLYGCPSA-N 0 3 317.458 2.270 20 30 DEEDHN N#CC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCC1 ZINC000333927666 226112353 /nfs/dbraw/zinc/11/23/53/226112353.db2.gz WPLVQIHWEHJVQD-UHFFFAOYSA-N 0 3 304.438 2.340 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000291390020 222359813 /nfs/dbraw/zinc/35/98/13/222359813.db2.gz XJWAUWYNGMKHPH-YOEHRIQHSA-N 0 3 317.433 2.397 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374396392 227134108 /nfs/dbraw/zinc/13/41/08/227134108.db2.gz YBQYHNDSCKACPO-BZUAXINKSA-N 0 3 319.449 2.076 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000377765491 227200373 /nfs/dbraw/zinc/20/03/73/227200373.db2.gz JMLOVGXSDIMMFQ-SOLBZPMBSA-N 0 3 300.402 2.367 20 30 DEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000417917705 229145881 /nfs/dbraw/zinc/14/58/81/229145881.db2.gz OJDMTMCMFNLHEX-SQWLQELKSA-N 0 3 300.406 2.423 20 30 DEEDHN Cc1nc(NC(C)(C)CCN2CCN(C)CC2)ccc1C#N ZINC000487757898 421048232 /nfs/dbraw/zinc/04/82/32/421048232.db2.gz WFYCUYIGXJQUGM-UHFFFAOYSA-N 0 3 301.438 2.090 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)n([C@H](C)CC)n2)CC1 ZINC000490924424 421194171 /nfs/dbraw/zinc/19/41/71/421194171.db2.gz OWCMQZPCRWBOTD-CYBMUJFWSA-N 0 3 302.422 2.446 20 30 DEEDHN C=CCNc1ncc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)s1 ZINC000622136912 422537872 /nfs/dbraw/zinc/53/78/72/422537872.db2.gz ZYFMRXWELOLJPY-NSHDSACASA-N 0 3 308.451 2.344 20 30 DEEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(C)C(F)(F)F ZINC000359546947 424830915 /nfs/dbraw/zinc/83/09/15/424830915.db2.gz QKSCAKPTQCWYAL-VIFPVBQESA-N 0 3 323.278 2.584 20 30 DEEDHN N#CC(C(=O)c1ccc(C(N)=O)nc1)c1nccc2ccccc21 ZINC000361526758 424844536 /nfs/dbraw/zinc/84/45/36/424844536.db2.gz QBCMVBZWPVUURW-CQSZACIVSA-N 0 3 316.320 2.219 20 30 DEEDHN C=CCNc1ncc(C(=O)Nc2ccc3c(c2)CNCC3)s1 ZINC000575986849 424948044 /nfs/dbraw/zinc/94/80/44/424948044.db2.gz UCHIUGQTOLKIJR-UHFFFAOYSA-N 0 3 314.414 2.639 20 30 DEEDHN C#Cc1cccc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 ZINC000373306989 424886949 /nfs/dbraw/zinc/88/69/49/424886949.db2.gz JNKNBNDHIMHDMA-UHFFFAOYSA-N 0 3 323.400 2.775 20 30 DEEDHN C[C@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CN1Cc1ccccc1 ZINC000563636714 424899359 /nfs/dbraw/zinc/89/93/59/424899359.db2.gz PSFMTYLGHQAICN-BBRMVZONSA-N 0 3 307.401 2.610 20 30 DEEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593845234 425009157 /nfs/dbraw/zinc/00/91/57/425009157.db2.gz IFGNBBFODLRODB-LLVKDONJSA-N 0 3 313.405 2.848 20 30 DEEDHN Cc1cc(C#N)nc(NCC(C)(C)N2CCc3ccccc3C2)n1 ZINC000341744778 424956100 /nfs/dbraw/zinc/95/61/00/424956100.db2.gz PNOPBOMASYCBNS-UHFFFAOYSA-N 0 3 321.428 2.906 20 30 DEEDHN N#Cc1ccc(NCCN2CCC3(CCCCC3)CC2)nc1N ZINC000582312451 424978504 /nfs/dbraw/zinc/97/85/04/424978504.db2.gz YRRZJPOEOOHZQX-UHFFFAOYSA-N 0 3 313.449 2.994 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(n2cc(Br)cn2)CC1 ZINC000649305179 424989130 /nfs/dbraw/zinc/98/91/30/424989130.db2.gz BUWBEMRCSHNVEZ-CYBMUJFWSA-N 0 3 314.227 2.220 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000649324178 424993746 /nfs/dbraw/zinc/99/37/46/424993746.db2.gz NKNORDSHOYWWIY-OLZOCXBDSA-N 0 3 322.371 2.046 20 30 DEEDHN CN1CCC[C@H](CNc2cc(C#N)cnn2)[C@H]1c1cccs1 ZINC000596144477 425018585 /nfs/dbraw/zinc/01/85/85/425018585.db2.gz FEIRITDADOPPMZ-CJNGLKHVSA-N 0 3 313.430 2.905 20 30 DEEDHN CCc1nc(C#N)cc(NCCN(C)Cc2ccc(F)cc2)n1 ZINC000596149910 425019350 /nfs/dbraw/zinc/01/93/50/425019350.db2.gz CDVFKSNQJWGBRS-UHFFFAOYSA-N 0 3 313.380 2.594 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)OC[C@@H]2C)CC1 ZINC000650851855 425066719 /nfs/dbraw/zinc/06/67/19/425066719.db2.gz HKCGJNRJUGWONW-HOCLYGCPSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000650536239 425014620 /nfs/dbraw/zinc/01/46/20/425014620.db2.gz MDFRTDKPBVNCST-QZTJIDSGSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000651724897 425144819 /nfs/dbraw/zinc/14/48/19/425144819.db2.gz LEOJAEAETCLEMN-RBSFLKMASA-N 0 3 302.422 2.250 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)COC ZINC000661244923 425360396 /nfs/dbraw/zinc/36/03/96/425360396.db2.gz ZUFHCLOLIKNEMU-ZDUSSCGKSA-N 0 3 320.389 2.267 20 30 DEEDHN C=CCN(CCCN1C(=O)c2ccccc2C1=O)[C@H](C)COC ZINC000661248166 425361162 /nfs/dbraw/zinc/36/11/62/425361162.db2.gz SQMPUSFXWVILRC-CQSZACIVSA-N 0 3 316.401 2.196 20 30 DEEDHN C=CC[C@H]1CCCN(CCNS(=O)(=O)c2ccccc2)C1 ZINC000661381107 425395557 /nfs/dbraw/zinc/39/55/57/425395557.db2.gz VOWINAPWNFDOCY-HNNXBMFYSA-N 0 3 308.447 2.253 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658946648 425512955 /nfs/dbraw/zinc/51/29/55/425512955.db2.gz HTBGXZOIVVMFGZ-KBRIMQKVSA-N 0 3 320.408 2.450 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658946645 425513210 /nfs/dbraw/zinc/51/32/10/425513210.db2.gz HTBGXZOIVVMFGZ-IAOVAPTHSA-N 0 3 320.408 2.450 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CNC)c2)C1 ZINC000659094364 425527822 /nfs/dbraw/zinc/52/78/22/425527822.db2.gz KCMDOWYEYZQFIC-AWEZNQCLSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661983736 425533679 /nfs/dbraw/zinc/53/36/79/425533679.db2.gz LIOVNLSZNJRAMG-DOTOQJQBSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCOCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000666515258 425768395 /nfs/dbraw/zinc/76/83/95/425768395.db2.gz WUGNZGONFGUIBN-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000660336984 425797313 /nfs/dbraw/zinc/79/73/13/425797313.db2.gz QWPDDMDVSCYMAB-KRWDZBQOSA-N 0 3 322.497 2.012 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc(C(C)C)c1 ZINC000663296961 425824977 /nfs/dbraw/zinc/82/49/77/425824977.db2.gz XGPDWMABLQKUDQ-ZDUSSCGKSA-N 0 3 309.431 2.416 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000359919960 268149538 /nfs/dbraw/zinc/14/95/38/268149538.db2.gz XDGQQNJFWUBMNC-CYBMUJFWSA-N 0 3 307.269 2.107 20 30 DEEDHN CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352810373 275468436 /nfs/dbraw/zinc/46/84/36/275468436.db2.gz MPIZDBUWXFUKDJ-ZDUSSCGKSA-N 0 3 311.307 2.287 20 30 DEEDHN CC1(C)C[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C(C)(C)O1 ZINC000329901709 276145564 /nfs/dbraw/zinc/14/55/64/276145564.db2.gz HDHONRVXHREKJQ-OLZOCXBDSA-N 0 3 320.437 2.295 20 30 DEEDHN CO/N=C/c1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000277559915 277047370 /nfs/dbraw/zinc/04/73/70/277047370.db2.gz PEFLGRCPXTUMDT-XNHPLOEXSA-N 0 3 315.417 2.414 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ccc(C#N)cc2)C1 ZINC000246742634 277155158 /nfs/dbraw/zinc/15/51/58/277155158.db2.gz PFXZXVLLWCMJOM-ZWKOTPCHSA-N 0 3 311.429 2.434 20 30 DEEDHN CO[C@H]1C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451487799 277350646 /nfs/dbraw/zinc/35/06/46/277350646.db2.gz FUNNTJKQIRERJP-KBPBESRZSA-N 0 3 307.438 2.074 20 30 DEEDHN CO[C@@](C)([C@H](C)NCC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000411938863 277698977 /nfs/dbraw/zinc/69/89/77/277698977.db2.gz FAXSGMWOSGBOOZ-YOEHRIQHSA-N 0 3 321.465 2.464 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000458782638 277838317 /nfs/dbraw/zinc/83/83/17/277838317.db2.gz UWDQTYPGGPKZMM-UAGQMJEPSA-N 0 3 319.449 2.304 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C#N)CCOCC1)C(C)C ZINC000112919915 277847297 /nfs/dbraw/zinc/84/72/97/277847297.db2.gz IPPHGXCUERPUSU-INIZCTEOSA-N 0 3 319.449 2.122 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](C)[C@H]1CO)C(C)C ZINC000190307835 277848515 /nfs/dbraw/zinc/84/85/15/277848515.db2.gz SFKJVUQQYQPCJX-YESZJQIVSA-N 0 3 323.481 2.097 20 30 DEEDHN CC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)C(=O)N1CCOCC1 ZINC000278356520 280196652 /nfs/dbraw/zinc/19/66/52/280196652.db2.gz BDBMVLJOMXLKKS-IAGOWNOFSA-N 0 3 315.417 2.236 20 30 DEEDHN COc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1C#N ZINC000135116778 282062885 /nfs/dbraw/zinc/06/28/85/282062885.db2.gz PBVDNPAQIQGKGV-OAHLLOKOSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@H]1C ZINC001088948415 782071254 /nfs/dbraw/zinc/07/12/54/782071254.db2.gz DZILTQCVNJVYMN-DOMZBBRYSA-N 0 3 303.406 2.118 20 30 DEEDHN C#CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001350330671 1151344979 /nfs/dbraw/zinc/34/49/79/1151344979.db2.gz YTORJJMELYCMTR-QGZVFWFLSA-N 0 3 311.381 2.445 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000575103986 326218329 /nfs/dbraw/zinc/21/83/29/326218329.db2.gz BXQKIICFWBWSOF-BIMQEMHKSA-N 0 3 309.413 2.261 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000563036708 333104592 /nfs/dbraw/zinc/10/45/92/333104592.db2.gz RETQZGYBBKECKJ-WBVHZDCISA-N 0 3 321.465 2.237 20 30 DEEDHN CN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1(C#N)CCC1 ZINC000580345868 335125264 /nfs/dbraw/zinc/12/52/64/335125264.db2.gz DNQZVAGFWBDKCQ-INIZCTEOSA-N 0 3 312.417 2.198 20 30 DEEDHN C=CCN1CC[C@H](N2CCC[C@@H]2Cc2cccc(OC)c2)C1=O ZINC000518782380 333199692 /nfs/dbraw/zinc/19/96/92/333199692.db2.gz WHIKLQSMFIZLIU-AEFFLSMTSA-N 0 3 314.429 2.489 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000263784868 333948625 /nfs/dbraw/zinc/94/86/25/333948625.db2.gz HHVWEVZRECFSPM-AMRJIULGSA-N 0 3 315.417 2.367 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCC[C@H](C)C1 ZINC000344833459 335278930 /nfs/dbraw/zinc/27/89/30/335278930.db2.gz XERBAEXLGKHFJU-KBPBESRZSA-N 0 3 310.417 2.144 20 30 DEEDHN C=CC[C@@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519142919 335806952 /nfs/dbraw/zinc/80/69/52/335806952.db2.gz DRXCIJLQFZXAHV-GFCCVEGCSA-N 0 3 312.391 2.313 20 30 DEEDHN CC1CC(C#N)(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000532327037 336241462 /nfs/dbraw/zinc/24/14/62/336241462.db2.gz QMXSEPHMOGIZFP-UHFFFAOYSA-N 0 3 315.417 2.183 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000582727431 337126137 /nfs/dbraw/zinc/12/61/37/337126137.db2.gz KWKUIWUHXJAKAW-HIFRSBDPSA-N 0 3 321.446 2.277 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000582957663 337218266 /nfs/dbraw/zinc/21/82/66/337218266.db2.gz GBBBTMOTAXDDKO-ZDUSSCGKSA-N 0 3 324.384 2.285 20 30 DEEDHN CCCC1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CCC1 ZINC000583139061 337248468 /nfs/dbraw/zinc/24/84/68/337248468.db2.gz UPHZQGGTJOBLOP-UHFFFAOYSA-N 0 3 321.446 2.287 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000525950329 337305718 /nfs/dbraw/zinc/30/57/18/337305718.db2.gz YGZBMPPPMBANIA-FUHWJXTLSA-N 0 3 307.482 2.216 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000516592277 340128228 /nfs/dbraw/zinc/12/82/28/340128228.db2.gz LZXDGMRNLGYNMN-FIDHJVLJSA-N 0 3 306.450 2.156 20 30 DEEDHN CC(C)c1nc(C2CCN(C[C@H](O)CC3(C#N)CC3)CC2)no1 ZINC000528367583 340707072 /nfs/dbraw/zinc/70/70/72/340707072.db2.gz SHKNEHUSZCSDAL-CQSZACIVSA-N 0 3 318.421 2.427 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000072501333 341087473 /nfs/dbraw/zinc/08/74/73/341087473.db2.gz BAQBXTREIGWNLU-OJXHRBAXSA-N 0 3 313.401 2.203 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000131673760 341107675 /nfs/dbraw/zinc/10/76/75/341107675.db2.gz KSKKRXUKXOGFRA-LBPRGKRZSA-N 0 3 304.438 2.287 20 30 DEEDHN CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H](C)C(C)C ZINC000246198900 341333329 /nfs/dbraw/zinc/33/33/29/341333329.db2.gz XPKOAJWLPLEBPH-SJORKVTESA-N 0 3 322.497 2.045 20 30 DEEDHN C[C@H](C#N)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552014584 341360718 /nfs/dbraw/zinc/36/07/18/341360718.db2.gz POTHDGAKSOEGPH-UKRRQHHQSA-N 0 3 321.371 2.420 20 30 DEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CCOC1 ZINC000247118166 341361331 /nfs/dbraw/zinc/36/13/31/341361331.db2.gz RNURBWCFWZFVEO-HZPDHXFCSA-N 0 3 315.417 2.290 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248463175 341378460 /nfs/dbraw/zinc/37/84/60/341378460.db2.gz YRQMPTYFBBJHKU-HLLBOEOZSA-N 0 3 314.433 2.498 20 30 DEEDHN C=C(C)Cn1c(CC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000555249001 341478438 /nfs/dbraw/zinc/47/84/38/341478438.db2.gz CJUYBIDCHIUQKT-OAHLLOKOSA-N 0 3 303.454 2.481 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H](CC2CC2)C1=O)C(C)C ZINC000349233067 341966846 /nfs/dbraw/zinc/96/68/46/341966846.db2.gz PFGLQWRCCJJSNY-HOTGVXAUSA-N 0 3 319.449 2.406 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)n(C(C)(C)C)n2)[C@H]1C ZINC001089042596 782133172 /nfs/dbraw/zinc/13/31/72/782133172.db2.gz IMZPMHRFBPGMQB-CABCVRRESA-N 0 3 316.449 2.162 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)[C@]12C[C@H]1CCCC2 ZINC001329890618 1149011100 /nfs/dbraw/zinc/01/11/00/1149011100.db2.gz DWITZWLLKSUVMJ-ZHALLVOQSA-N 0 3 320.477 2.481 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H](C)CNCc1cc(F)ccc1C#N ZINC001378534150 1152365946 /nfs/dbraw/zinc/36/59/46/1152365946.db2.gz VIEJZAADPRNJRP-NWDGAFQWSA-N 0 3 323.437 2.291 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cccc1 ZINC001329938958 1149020638 /nfs/dbraw/zinc/02/06/38/1149020638.db2.gz SHKCVAUGYYBZQM-DLBZAZTESA-N 0 3 301.434 2.433 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)[C@H]1C ZINC001089051295 782139517 /nfs/dbraw/zinc/13/95/17/782139517.db2.gz JJFBJWBSJFSCMC-KCXAZCMYSA-N 0 3 318.392 2.284 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)[C@H]1C ZINC001089059167 782141863 /nfs/dbraw/zinc/14/18/63/782141863.db2.gz BWKGNCPYMDTNPU-IKGGRYGDSA-N 0 3 301.434 2.268 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2ccc(Cl)s2)C1 ZINC001330053933 1149042034 /nfs/dbraw/zinc/04/20/34/1149042034.db2.gz MGKXFKUURYJPAJ-LLVKDONJSA-N 0 3 310.850 2.404 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001358552574 1152408901 /nfs/dbraw/zinc/40/89/01/1152408901.db2.gz LMZVFEGHNKBMPG-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2nc(CC)oc2C)C1 ZINC001368820532 1148689413 /nfs/dbraw/zinc/68/94/13/1148689413.db2.gz NJDXPEDUORCMBN-UHFFFAOYSA-N 0 3 311.813 2.396 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378743999 1152433057 /nfs/dbraw/zinc/43/30/57/1152433057.db2.gz PBKOQQCLCKBIET-QWHCGFSZSA-N 0 3 321.396 2.059 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001330291566 1149087115 /nfs/dbraw/zinc/08/71/15/1149087115.db2.gz DNGCBFOYUBCPED-XYYAHUGASA-N 0 3 316.367 2.282 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC(C)(C)[C@H]2COC[C@H]21 ZINC001473544680 1152455877 /nfs/dbraw/zinc/45/58/77/1152455877.db2.gz IGEDDHCBQBBCAB-LSDHHAIUSA-N 0 3 316.401 2.302 20 30 DEEDHN C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCN1CC(C)(C)O ZINC000302461293 533978250 /nfs/dbraw/zinc/97/82/50/533978250.db2.gz ABRLTQOVOWZQCP-AWEZNQCLSA-N 0 3 324.428 2.388 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001378832199 1152460995 /nfs/dbraw/zinc/46/09/95/1152460995.db2.gz LVDYHKLOGUEORI-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN C[C@@H](c1ccccc1)[C@H](NCCOc1cccc(C#N)c1)C(N)=O ZINC000428849986 534121688 /nfs/dbraw/zinc/12/16/88/534121688.db2.gz KPCZTURQLHOFIV-KSSFIOAISA-N 0 3 323.396 2.184 20 30 DEEDHN C[C@@H](c1ccccc1)[C@H](NCc1ccc(CC#N)cc1)C(N)=O ZINC000428838634 534121792 /nfs/dbraw/zinc/12/17/92/534121792.db2.gz HXQBUPUUKYBYNM-KSSFIOAISA-N 0 3 307.397 2.500 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000265216443 534288328 /nfs/dbraw/zinc/28/83/28/534288328.db2.gz WHCCSWSRYJOOTA-NVXWUHKLSA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000292455549 534307580 /nfs/dbraw/zinc/30/75/80/534307580.db2.gz SZTONDFQURMTIT-HNNXBMFYSA-N 0 3 311.429 2.434 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000452380826 534325372 /nfs/dbraw/zinc/32/53/72/534325372.db2.gz UHVZZLHIAHHZHJ-ROUUACIJSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000452380724 534328106 /nfs/dbraw/zinc/32/81/06/534328106.db2.gz UHVZZLHIAHHZHJ-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN CO[C@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001378876797 1152476072 /nfs/dbraw/zinc/47/60/72/1152476072.db2.gz SISYBOMOHQGQOY-OLZOCXBDSA-N 0 3 323.462 2.275 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@H](C)O ZINC000450745237 534440986 /nfs/dbraw/zinc/44/09/86/534440986.db2.gz OSMWXXZKFBOOGA-AWEZNQCLSA-N 0 3 324.494 2.356 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)Cc1ccccc1C ZINC000451671364 534571840 /nfs/dbraw/zinc/57/18/40/534571840.db2.gz FRAUJJWUJCOUPP-JQHSSLGASA-N 0 3 316.445 2.365 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1cccc(OC(C)C)c1 ZINC000451605346 534607016 /nfs/dbraw/zinc/60/70/16/534607016.db2.gz JTFNRVVKMUHTGU-SJORKVTESA-N 0 3 318.417 2.023 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000453352649 534610485 /nfs/dbraw/zinc/61/04/85/534610485.db2.gz JYRPNWORIUHEDH-XWIAVFTESA-N 0 3 302.418 2.359 20 30 DEEDHN CN(C[C@@H]1CCCOC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245499779 523061755 /nfs/dbraw/zinc/06/17/55/523061755.db2.gz YVIKCGPZTWDRGI-RDJZCZTQSA-N 0 3 313.401 2.022 20 30 DEEDHN N#CCOc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000269776678 534693747 /nfs/dbraw/zinc/69/37/47/534693747.db2.gz SFBNWVNBTVLJIK-INIZCTEOSA-N 0 3 311.389 2.093 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCn1ccnc1 ZINC000124242507 524266518 /nfs/dbraw/zinc/26/65/18/524266518.db2.gz XUXXFTIDMSSISO-AWEZNQCLSA-N 0 3 311.389 2.104 20 30 DEEDHN Cc1ccc(C#N)c(NCc2ccnc(OCCN(C)C)c2)n1 ZINC000162186029 525993976 /nfs/dbraw/zinc/99/39/76/525993976.db2.gz BWGPYMGTTACGDK-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN C=CCN(CCc1ccco1)C[C@H](O)COCC(F)(F)F ZINC000292903757 526325918 /nfs/dbraw/zinc/32/59/18/526325918.db2.gz KGEDUQMZYFTRBD-LBPRGKRZSA-N 0 3 307.312 2.250 20 30 DEEDHN C=CCN1CC(=O)N([C@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000376649409 526414416 /nfs/dbraw/zinc/41/44/16/526414416.db2.gz TYGCATGPIYBNAX-INIZCTEOSA-N 0 3 313.401 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000330627967 526414487 /nfs/dbraw/zinc/41/44/87/526414487.db2.gz KWTUTUQDSDXMKK-HZPDHXFCSA-N 0 3 309.454 2.344 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000330855825 526415104 /nfs/dbraw/zinc/41/51/04/526415104.db2.gz SQZIFAWIBBQFLQ-LSDHHAIUSA-N 0 3 309.454 2.346 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](Cc2ccccc2)OC)CC1 ZINC000294599740 526444860 /nfs/dbraw/zinc/44/48/60/526444860.db2.gz MAQMQGIJOLYNKL-KRWDZBQOSA-N 0 3 302.418 2.011 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000372176047 526587404 /nfs/dbraw/zinc/58/74/04/526587404.db2.gz OJMAMTVPRDBCEH-CVEARBPZSA-N 0 3 321.465 2.095 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)[C@@H](C)CC)cc1 ZINC000262323226 526618589 /nfs/dbraw/zinc/61/85/89/526618589.db2.gz SEMWPOKRXRWURQ-SMDDNHRTSA-N 0 3 304.394 2.306 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H]2CC[C@@H](CO)O2)ccc1OC ZINC000292679241 526661975 /nfs/dbraw/zinc/66/19/75/526661975.db2.gz MQFQKLXCOFKSIT-CVEARBPZSA-N 0 3 321.417 2.280 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)s1 ZINC000295663537 526681157 /nfs/dbraw/zinc/68/11/57/526681157.db2.gz SUTOZDSGFNRHGJ-MRXNPFEDSA-N 0 3 320.462 2.299 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2c(F)cccc2F)c1 ZINC000112710626 526707299 /nfs/dbraw/zinc/70/72/99/526707299.db2.gz APNUJGYXTYSIIQ-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CCCN(CC)CC2)cc1 ZINC000294691581 526739292 /nfs/dbraw/zinc/73/92/92/526739292.db2.gz SMIGLNCXGWVEQI-UHFFFAOYSA-N 0 3 300.402 2.257 20 30 DEEDHN C=CCOCCN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000292762962 526770143 /nfs/dbraw/zinc/77/01/43/526770143.db2.gz IZPHPURYUUUMPQ-UHFFFAOYSA-N 0 3 320.433 2.419 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1c(F)cccc1SC ZINC000296652013 526816715 /nfs/dbraw/zinc/81/67/15/526816715.db2.gz PHKPQIOQEQBESH-UHFFFAOYSA-N 0 3 323.437 2.302 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)NCc1ccncc1OCCN(C)C ZINC000341494414 527045563 /nfs/dbraw/zinc/04/55/63/527045563.db2.gz MCLPTUYPZDFUIL-OAHLLOKOSA-N 0 3 320.437 2.176 20 30 DEEDHN C=CCCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000338676217 527071894 /nfs/dbraw/zinc/07/18/94/527071894.db2.gz HKBGKUOPNFZMFU-UHFFFAOYSA-N 0 3 315.461 2.277 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cc2c(cc1SC)OCCO2 ZINC000341324416 527077773 /nfs/dbraw/zinc/07/77/73/527077773.db2.gz RRVZXSSUAOPIQF-GFCCVEGCSA-N 0 3 309.431 2.454 20 30 DEEDHN C=CC[C@@H](CO)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000337026758 527099631 /nfs/dbraw/zinc/09/96/31/527099631.db2.gz CXCBSLJHPGDCRZ-INIZCTEOSA-N 0 3 302.418 2.338 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000372485295 527122545 /nfs/dbraw/zinc/12/25/45/527122545.db2.gz QSWOSJHINVGZHN-SQNIBIBYSA-N 0 3 314.429 2.326 20 30 DEEDHN C#CC[C@H](NC[C@H](O)COCC(F)(F)F)c1ccccc1 ZINC000292806860 527175831 /nfs/dbraw/zinc/17/58/31/527175831.db2.gz BYCIRBRRYFCGNN-KBPBESRZSA-N 0 3 301.308 2.280 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](O)CC1 ZINC000339784361 527262728 /nfs/dbraw/zinc/26/27/28/527262728.db2.gz RSLHFHLDKNBWNA-IRXDYDNUSA-N 0 3 305.418 2.002 20 30 DEEDHN C=CCC[C@@H](O)CN[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000341022412 527459944 /nfs/dbraw/zinc/45/99/44/527459944.db2.gz VTJUWYRGYOZNOL-RTBURBONSA-N 0 3 318.461 2.285 20 30 DEEDHN C(=N/OCC[C@@H]1CCCO1)\c1ccc(N2CCOCC2)cc1 ZINC000189197229 527473798 /nfs/dbraw/zinc/47/37/98/527473798.db2.gz CKBVEFXALUVKFF-AATZCTEQSA-N 0 3 304.390 2.443 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cc(-c2cnn(C)c2)no1 ZINC000340207647 527573312 /nfs/dbraw/zinc/57/33/12/527573312.db2.gz GYCRZKKPPDJREO-UHFFFAOYSA-N 0 3 303.410 2.015 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429225480 527628639 /nfs/dbraw/zinc/62/86/39/527628639.db2.gz FTJZDQPSHIMARY-HIFRSBDPSA-N 0 3 300.402 2.038 20 30 DEEDHN CC(C)NS(=O)(=O)[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000373038213 527754597 /nfs/dbraw/zinc/75/45/97/527754597.db2.gz ZTXNUSAVDCAEDN-AWEZNQCLSA-N 0 3 315.483 2.109 20 30 DEEDHN CC(C)[C@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330766693 527922823 /nfs/dbraw/zinc/92/28/23/527922823.db2.gz KVACUVWFQYQLJF-CWRNSKLLSA-N 0 3 309.454 2.202 20 30 DEEDHN CC(C)OCCCNC(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338907237 527940718 /nfs/dbraw/zinc/94/07/18/527940718.db2.gz IILOOYGCGHWXCM-RDJZCZTQSA-N 0 3 321.465 2.322 20 30 DEEDHN CCCN1CCC(CNC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000329563260 528182412 /nfs/dbraw/zinc/18/24/12/528182412.db2.gz GSQMZARCPDSMCM-CQSZACIVSA-N 0 3 316.467 2.032 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264138300 528430985 /nfs/dbraw/zinc/43/09/85/528430985.db2.gz NXVBTXYSYJKAQY-MRXNPFEDSA-N 0 3 315.417 2.327 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)[C@H]1COc2ccccc21 ZINC000248613112 528697762 /nfs/dbraw/zinc/69/77/62/528697762.db2.gz QWXHALYNNVCUMT-IIAWOOMASA-N 0 3 315.417 2.149 20 30 DEEDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247547683 529219677 /nfs/dbraw/zinc/21/96/77/529219677.db2.gz PQBMMPKJISHIQD-IIAWOOMASA-N 0 3 309.479 2.401 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C)[C@H]1CO ZINC000305436847 536881716 /nfs/dbraw/zinc/88/17/16/536881716.db2.gz IZXMTVUKGGUBLA-UKRRQHHQSA-N 0 3 304.390 2.038 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@](C)(OC)C1 ZINC000348223331 536883957 /nfs/dbraw/zinc/88/39/57/536883957.db2.gz GESPRYSNASJSJG-KRWDZBQOSA-N 0 3 304.390 2.447 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001369747934 1149136917 /nfs/dbraw/zinc/13/69/17/1149136917.db2.gz KAAGDAHPZVHOBW-STQMWFEESA-N 0 3 302.846 2.259 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000835062856 649874402 /nfs/dbraw/zinc/87/44/02/649874402.db2.gz SLEQYXOQELGAHT-GHMZBOCLSA-N 0 3 304.733 2.026 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)/C=C(\C)CC)CCOCC1 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C#CCCN1CCCC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001024650366 625952131 /nfs/dbraw/zinc/95/21/31/625952131.db2.gz AWOZKDAYCVVOIF-KRWDZBQOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC000999489600 634619461 /nfs/dbraw/zinc/61/94/61/634619461.db2.gz ZSMPACNPERUDMY-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2ccnc(OC)c2)C1 ZINC000999901420 634699734 /nfs/dbraw/zinc/69/97/34/634699734.db2.gz UICTXYKEGDEWAC-HNNXBMFYSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cncnc3)C[C@@H]2C1 ZINC000979693559 634736574 /nfs/dbraw/zinc/73/65/74/634736574.db2.gz WVDRINYDNWNYLM-GZBFAFLISA-N 0 3 320.824 2.059 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)CC1 ZINC001000077413 634733387 /nfs/dbraw/zinc/73/33/87/634733387.db2.gz LALTZGXAOZJZEK-QGZVFWFLSA-N 0 3 316.449 2.247 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3scnc3C)CC2)CC1 ZINC001000089205 634737024 /nfs/dbraw/zinc/73/70/24/634737024.db2.gz NBOAPEXDEUVLJX-UHFFFAOYSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccccc3F)CC2)CC1 ZINC001000062556 634742539 /nfs/dbraw/zinc/74/25/39/634742539.db2.gz NGMQJECVPKEORD-UHFFFAOYSA-N 0 3 300.377 2.433 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)CC1 ZINC001000200469 634786801 /nfs/dbraw/zinc/78/68/01/634786801.db2.gz GOAMLNJMOITOSC-OIISXLGYSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C3CCC(OC)CC3)CC2)CC1 ZINC001000248063 634823044 /nfs/dbraw/zinc/82/30/44/634823044.db2.gz JKEOWDDBABPUTL-UHFFFAOYSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCONC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000836226937 650067108 /nfs/dbraw/zinc/06/71/08/650067108.db2.gz HQDMZLGPXNFDQF-UHFFFAOYSA-N 0 3 304.394 2.068 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001024740820 632961641 /nfs/dbraw/zinc/96/16/41/632961641.db2.gz MXDNSCPQMWNLRY-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2csc(C3CC3)n2)[C@H](C)C1 ZINC000945639035 632967181 /nfs/dbraw/zinc/96/71/81/632967181.db2.gz BJYAWZQWGFTLJD-TZMCWYRMSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(Cl)cnn2CC)C(C)(C)C1 ZINC000974638860 633198412 /nfs/dbraw/zinc/19/84/12/633198412.db2.gz RXYHMTZXSQEAAU-CYBMUJFWSA-N 0 3 322.840 2.020 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C(C)(C)C1 ZINC000974671870 633220550 /nfs/dbraw/zinc/22/05/50/633220550.db2.gz FLSQYDZHHNCQNB-NSHDSACASA-N 0 3 310.829 2.252 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC000974671452 633220915 /nfs/dbraw/zinc/22/09/15/633220915.db2.gz JURIAQLAPKLMSF-MRXNPFEDSA-N 0 3 317.433 2.497 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cncc(OC)c2C)C(C)(C)C1 ZINC000974722333 633267427 /nfs/dbraw/zinc/26/74/27/633267427.db2.gz FDJGEUOQCWKCIA-INIZCTEOSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C(C)(C)C1 ZINC000974767784 633293635 /nfs/dbraw/zinc/29/36/35/633293635.db2.gz PSPUGOZCRVOEMY-MRXNPFEDSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNCc2nccn2CC)C1 ZINC001026988523 633334193 /nfs/dbraw/zinc/33/41/93/633334193.db2.gz INORIAQLFAFVNE-HNNXBMFYSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C(C)(C)C1 ZINC000974896282 633361402 /nfs/dbraw/zinc/36/14/02/633361402.db2.gz SUTAGDGJWUSIFV-CYBMUJFWSA-N 0 3 303.406 2.030 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001027038393 633371509 /nfs/dbraw/zinc/37/15/09/633371509.db2.gz LNFBPOIJXZKVOX-QAPCUYQASA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C(C)(C)C1 ZINC000975089573 633415979 /nfs/dbraw/zinc/41/59/79/633415979.db2.gz VNOYMYFFVYOECJ-IIAWOOMASA-N 0 3 300.402 2.233 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(N[C@H](C)c2nnc(C)[nH]2)CC1 ZINC000996956359 633538396 /nfs/dbraw/zinc/53/83/96/633538396.db2.gz MOEYBFSTZZSULY-SJKOYZFVSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3cc(C)no3)CC2)C1 ZINC000996973110 633549614 /nfs/dbraw/zinc/54/96/14/633549614.db2.gz FBKUHQSHSLOSBT-UHFFFAOYSA-N 0 3 303.406 2.420 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC000997085957 633573072 /nfs/dbraw/zinc/57/30/72/633573072.db2.gz PWVUZUDBPPRUHJ-CQSZACIVSA-N 0 3 316.449 2.072 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(Cl)cnn2CC)CC1 ZINC000997113030 633590471 /nfs/dbraw/zinc/59/04/71/633590471.db2.gz XCQOYECIYSKFMV-GFCCVEGCSA-N 0 3 322.840 2.020 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccnn2CC(C)C)CC1 ZINC000997120046 633603422 /nfs/dbraw/zinc/60/34/22/633603422.db2.gz MBUFSUNRDIIAIY-OAHLLOKOSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000997122593 633604513 /nfs/dbraw/zinc/60/45/13/633604513.db2.gz AFEYKSCQCWKXLN-CQSZACIVSA-N 0 3 316.449 2.102 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)CC1 ZINC000997149596 633639993 /nfs/dbraw/zinc/63/99/93/633639993.db2.gz QJVOHQRKZABOPO-CYBMUJFWSA-N 0 3 318.392 2.298 20 30 DEEDHN Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c(C)n1 ZINC001027337113 633664582 /nfs/dbraw/zinc/66/45/82/633664582.db2.gz 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633763059 /nfs/dbraw/zinc/76/30/59/633763059.db2.gz VNUCLDOQBHLQOL-MRRHNRMISA-N 0 3 300.446 2.128 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC001027421462 633766314 /nfs/dbraw/zinc/76/63/14/633766314.db2.gz AAAKIUPULWREJZ-OAHLLOKOSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001027439303 633787502 /nfs/dbraw/zinc/78/75/02/633787502.db2.gz JEBWXTFZJKRMTG-LBPRGKRZSA-N 0 3 320.824 2.110 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccsc2COC)C1 ZINC001027463417 633832526 /nfs/dbraw/zinc/83/25/26/633832526.db2.gz YIMNUQLDFIRQQY-CYBMUJFWSA-N 0 3 306.431 2.064 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cc(CCC)[nH]c(=O)c2)C(C)(C)C1 ZINC000977287248 633911638 /nfs/dbraw/zinc/91/16/38/633911638.db2.gz RTXKYAOPYOBZLP-OAHLLOKOSA-N 0 3 317.433 2.366 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001027508761 633932848 /nfs/dbraw/zinc/93/28/48/633932848.db2.gz IVNRXZNPFGXWBF-CYBMUJFWSA-N 0 3 322.840 2.287 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C3CC3)on2)CC1 ZINC000997698126 633936824 /nfs/dbraw/zinc/93/68/24/633936824.db2.gz VEOXRFZTIHFBFS-LBPRGKRZSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(OC)cs2)CC1 ZINC000997707586 633943251 /nfs/dbraw/zinc/94/32/51/633943251.db2.gz YPGILXZZZGNSHX-LBPRGKRZSA-N 0 3 306.431 2.220 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(OC)c2F)C(C)(C)C1 ZINC000977369770 633943874 /nfs/dbraw/zinc/94/38/74/633943874.db2.gz OARGEBBULVQBBX-OAHLLOKOSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@H](C)C1 ZINC000946312120 633957300 /nfs/dbraw/zinc/95/73/00/633957300.db2.gz LCZCLVATBMHEFI-ZBFHGGJFSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C(C)(C)C1 ZINC000977428622 633985446 /nfs/dbraw/zinc/98/54/46/633985446.db2.gz IBQNIFBKBQQWNL-INIZCTEOSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc3[nH]cnc32)CC1 ZINC000997810352 633993902 /nfs/dbraw/zinc/99/39/02/633993902.db2.gz BGNANMNHJYSDKL-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000997883626 634019304 /nfs/dbraw/zinc/01/93/04/634019304.db2.gz VNUCLDOQBHLQOL-SDAJNKIFSA-N 0 3 300.446 2.128 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2c(C)noc2C)C1 ZINC001027537576 634039050 /nfs/dbraw/zinc/03/90/50/634039050.db2.gz LREZISZNHZKSGC-OAHLLOKOSA-N 0 3 317.433 2.125 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(COC)cc2)C(C)(C)C1 ZINC000977578856 634046858 /nfs/dbraw/zinc/04/68/58/634046858.db2.gz KWIKJLQGVWXZJG-KRWDZBQOSA-N 0 3 314.429 2.297 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cn(C)nc2C)CC1 ZINC000997964829 634082856 /nfs/dbraw/zinc/08/28/56/634082856.db2.gz IMHGEEQGUZYUTH-INIZCTEOSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCOc1ccc(CNC(=O)[C@H]2CCCN2CCC)cc1 ZINC000836869126 650139042 /nfs/dbraw/zinc/13/90/42/650139042.db2.gz SJZAYTMAKQZGKM-QGZVFWFLSA-N 0 3 300.402 2.189 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc3cccnn32)CC1 ZINC000998140059 634153130 /nfs/dbraw/zinc/15/31/30/634153130.db2.gz GVBSEXMEOIWDFA-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cn(CC)nc2C)CC1 ZINC000998142205 634153767 /nfs/dbraw/zinc/15/37/67/634153767.db2.gz LVXGUJWMVDUSLG-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnc(C)nc2C)CC1 ZINC000998155524 634155556 /nfs/dbraw/zinc/15/55/56/634155556.db2.gz NOZDBDZBDXAWFF-INIZCTEOSA-N 0 3 314.433 2.043 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000998193247 634164545 /nfs/dbraw/zinc/16/45/45/634164545.db2.gz FZEWLXJWDNVQSP-MRXNPFEDSA-N 0 3 315.417 2.127 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C(F)F)CC[C@H]1C(F)(F)F ZINC000998221413 634172664 /nfs/dbraw/zinc/17/26/64/634172664.db2.gz WZMZUPWWESLFEJ-RKDXNWHRSA-N 0 3 300.271 2.197 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OC)cc1Cl ZINC000125590094 634192492 /nfs/dbraw/zinc/19/24/92/634192492.db2.gz LRWAJSMYNFMTCV-PSASIEDQSA-N 0 3 310.737 2.031 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccsn2)CC[C@@H]1C(F)(F)F ZINC000998264043 634193838 /nfs/dbraw/zinc/19/38/38/634193838.db2.gz AOHNYOMRBLJDQU-GXSJLCMTSA-N 0 3 319.352 2.312 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836921353 650146061 /nfs/dbraw/zinc/14/60/61/650146061.db2.gz ZRGTYCZZPRWMLC-IRXDYDNUSA-N 0 3 314.429 2.005 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001027606878 634274263 /nfs/dbraw/zinc/27/42/63/634274263.db2.gz OFSTZNBVWGTHBD-QXCFHYIPSA-N 0 3 308.425 2.128 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2oc(C(C)C)nc2C)C1 ZINC001027608428 634280186 /nfs/dbraw/zinc/28/01/86/634280186.db2.gz QEKAAUUXWTWLHY-AWEZNQCLSA-N 0 3 303.406 2.276 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC000978332076 634283481 /nfs/dbraw/zinc/28/34/81/634283481.db2.gz GTAKNERIRRJITM-XLAORIBOSA-N 0 3 300.446 2.440 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC001027615122 634293302 /nfs/dbraw/zinc/29/33/02/634293302.db2.gz NWPUPXMPYUAOGX-SFHVURJKSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)ccc3C3CC3)[C@@H]2C1 ZINC000978540491 634348368 /nfs/dbraw/zinc/34/83/68/634348368.db2.gz FUBRDMRUHFKKAW-LDLYASANSA-N 0 3 308.425 2.413 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccc(C)cc4[nH]3)[C@@H]2C1 ZINC000978548712 634352416 /nfs/dbraw/zinc/35/24/16/634352416.db2.gz FLSKKTIHIUPNAA-OSYLJGHBSA-N 0 3 321.424 2.407 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(OC(C)C)n2)C1 ZINC001027633987 634353490 /nfs/dbraw/zinc/35/34/90/634353490.db2.gz SKESLYNYCWONNQ-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001027882757 634856041 /nfs/dbraw/zinc/85/60/41/634856041.db2.gz UZBLULHYQOVGTA-STQMWFEESA-N 0 3 321.446 2.068 20 30 DEEDHN C[C@@H]1C[C@H](CNCc2cc(F)ccc2C#N)CN1C(=O)C1CC1 ZINC000980266273 634922231 /nfs/dbraw/zinc/92/22/31/634922231.db2.gz JTOUIMSHYOKXOW-CHWSQXEVSA-N 0 3 315.392 2.434 20 30 DEEDHN CSCC(=O)N1C[C@H](CNCc2ccccc2C#N)C[C@@H]1C ZINC000980348039 634965113 /nfs/dbraw/zinc/96/51/13/634965113.db2.gz IGIPFRFJYYFIKU-KBPBESRZSA-N 0 3 317.458 2.248 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027920363 634967264 /nfs/dbraw/zinc/96/72/64/634967264.db2.gz HYGWZTIPVJUREH-HUUCEWRRSA-N 0 3 313.873 2.194 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2c1COCC2 ZINC001027928394 634989096 /nfs/dbraw/zinc/98/90/96/634989096.db2.gz NSNVFPQYYYACPO-OAHLLOKOSA-N 0 3 300.402 2.140 20 30 DEEDHN CC[C@@H](CC#N)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000893604870 635006299 /nfs/dbraw/zinc/00/62/99/635006299.db2.gz AVBUNGLAXVNNGC-AWEZNQCLSA-N 0 3 324.469 2.257 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000980475431 635015149 /nfs/dbraw/zinc/01/51/49/635015149.db2.gz FYSQOKKGJOLHLM-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001027942199 635029068 /nfs/dbraw/zinc/02/90/68/635029068.db2.gz YXBYPOPJJFMPIQ-INIZCTEOSA-N 0 3 324.428 2.169 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001027967617 635110178 /nfs/dbraw/zinc/11/01/78/635110178.db2.gz VWPPWBTUDKHRIP-SJLPKXTDSA-N 0 3 313.445 2.280 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cncc(Cl)c3)CC2)CC1 ZINC001000286092 635129544 /nfs/dbraw/zinc/12/95/44/635129544.db2.gz FSQDHWPDPRVYSU-UHFFFAOYSA-N 0 3 317.820 2.343 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001027983208 635161186 /nfs/dbraw/zinc/16/11/86/635161186.db2.gz FWDVJSYWAVYULC-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC001027989921 635178164 /nfs/dbraw/zinc/17/81/64/635178164.db2.gz DCWMDBVQKJASLG-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001028018323 635257527 /nfs/dbraw/zinc/25/75/27/635257527.db2.gz RAJCSMAOHYHQSK-DZGCQCFKSA-N 0 3 318.392 2.458 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn(C(C)(C)C)nc2C)CC1 ZINC001000665186 635263116 /nfs/dbraw/zinc/26/31/16/635263116.db2.gz 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/nfs/dbraw/zinc/51/74/93/635517493.db2.gz HVKMJCICCBCPDW-UHFFFAOYSA-N 0 3 313.426 2.371 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccsc2COC)CC1 ZINC001001538631 635521382 /nfs/dbraw/zinc/52/13/82/635521382.db2.gz RYTYYBNOWWZMEH-UHFFFAOYSA-N 0 3 320.458 2.360 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000981578341 635538237 /nfs/dbraw/zinc/53/82/37/635538237.db2.gz HRNQWPJGAKQVMP-KRWDZBQOSA-N 0 3 300.402 2.101 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnn(C(C)C)c2Cl)CC1 ZINC001001691710 635541757 /nfs/dbraw/zinc/54/17/57/635541757.db2.gz WYCPVUYCUSNANX-UHFFFAOYSA-N 0 3 322.840 2.192 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3oc(C)nc3C)C2)C1 ZINC000981675965 635588656 /nfs/dbraw/zinc/58/86/56/635588656.db2.gz NWVUMMWLKCEAEZ-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ncccc1OCCC ZINC001028114102 635593210 /nfs/dbraw/zinc/59/32/10/635593210.db2.gz AJUPCTNQISHYQS-OAHLLOKOSA-N 0 3 315.417 2.088 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(Cl)cn2)CC1 ZINC001002070042 635612556 /nfs/dbraw/zinc/61/25/56/635612556.db2.gz PGBWOVLGGSNEPT-UHFFFAOYSA-N 0 3 305.809 2.200 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(F)cccc2F)CC1 ZINC001002075812 635613309 /nfs/dbraw/zinc/61/33/09/635613309.db2.gz FBXYBGOQTCVXLD-UHFFFAOYSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(C3CC3)cn2)CC1 ZINC001002091347 635618150 /nfs/dbraw/zinc/61/81/50/635618150.db2.gz AMJIIRZRHAXDMA-UHFFFAOYSA-N 0 3 311.429 2.424 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(OC)ccn2)CC1 ZINC000981733730 635623459 /nfs/dbraw/zinc/62/34/59/635623459.db2.gz KEYBLPHENROBQP-UHFFFAOYSA-N 0 3 303.406 2.204 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001028129414 635671668 /nfs/dbraw/zinc/67/16/68/635671668.db2.gz DLXLCGCLPUMOBS-CHWSQXEVSA-N 0 3 322.840 2.163 20 30 DEEDHN N#Cc1cc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cs1 ZINC000921934461 635727656 /nfs/dbraw/zinc/72/76/56/635727656.db2.gz GIJGYAFQXWDZMZ-ZBFHGGJFSA-N 0 3 302.399 2.194 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001028182935 635785811 /nfs/dbraw/zinc/78/58/11/635785811.db2.gz IJAMEVUUIYUYBG-OAHLLOKOSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001028185134 635788601 /nfs/dbraw/zinc/78/86/01/635788601.db2.gz QWZBRJUROSPESV-HZPDHXFCSA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccn(C)c3CC)C2)C1 ZINC000982013423 635810590 /nfs/dbraw/zinc/81/05/90/635810590.db2.gz RWMBUPYYBPRNGW-UHFFFAOYSA-N 0 3 301.434 2.312 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(OC)ccn2)CC1 ZINC000948670457 635835653 /nfs/dbraw/zinc/83/56/53/635835653.db2.gz QTFJGSWIADIKRJ-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4cccnn43)C2)C1 ZINC000982056073 635848029 /nfs/dbraw/zinc/84/80/29/635848029.db2.gz WUJFXDAFWCEUGK-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cccc(C)n3)C[C@]2(C)C1 ZINC000982210843 635907785 /nfs/dbraw/zinc/90/77/85/635907785.db2.gz NTBBMHYUJKCWJE-KDURUIRLSA-N 0 3 311.429 2.197 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CC[C@@H](CC)O3)C[C@]2(C)C1 ZINC000982291508 635951455 /nfs/dbraw/zinc/95/14/55/635951455.db2.gz RQHAXJJYOGRKCI-JFRXWTBNSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001028293958 636112690 /nfs/dbraw/zinc/11/26/90/636112690.db2.gz SBTQFCWTZZGSGL-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001028337526 636137545 /nfs/dbraw/zinc/13/75/45/636137545.db2.gz TVEZOEFWDOGCFO-AWEZNQCLSA-N 0 3 305.397 2.272 20 30 DEEDHN Cc1cc(C(=O)NC[C@H]2CCN(Cc3cccc(C#N)c3)C2)on1 ZINC001028394721 636173013 /nfs/dbraw/zinc/17/30/13/636173013.db2.gz FLVYTOKAEQOMRF-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)on1 ZINC001028404704 636182034 /nfs/dbraw/zinc/18/20/34/636182034.db2.gz UZZYWBPNCLXTDX-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN N#Cc1ccc(CNCCN2Cc3ccccc3OCC2=O)cc1 ZINC000922462797 636187667 /nfs/dbraw/zinc/18/76/67/636187667.db2.gz OWUKEORUGXHZDF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/38/01/29/636380129.db2.gz HKAJFGJKLVFIOK-NEPJUHHUSA-N 0 3 311.341 2.263 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccc4nccn4c3)C[C@]2(C)C1 ZINC000982718191 636381221 /nfs/dbraw/zinc/38/12/21/636381221.db2.gz VVTVADRYBMUTAZ-KDURUIRLSA-N 0 3 324.428 2.304 20 30 DEEDHN C#Cc1cccc(NC(=S)NC2CCN(CCOC)CC2)c1 ZINC000726481151 636436075 /nfs/dbraw/zinc/43/60/75/636436075.db2.gz XYFPPGUHWSBYAK-UHFFFAOYSA-N 0 3 317.458 2.065 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2c(C)noc2C(C)C)C1 ZINC001028608418 636501423 /nfs/dbraw/zinc/50/14/23/636501423.db2.gz PSKKTWDITUSQRR-CQSZACIVSA-N 0 3 303.406 2.181 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001028612793 636502389 /nfs/dbraw/zinc/50/23/89/636502389.db2.gz VKOPIWVRCMWTKQ-AWEZNQCLSA-N 0 3 309.369 2.027 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001028661304 636572178 /nfs/dbraw/zinc/57/21/78/636572178.db2.gz IYUFRMWNURPKNJ-CYBMUJFWSA-N 0 3 318.808 2.139 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2coc3ccc(OC)cc32)C1 ZINC001028681363 636620087 /nfs/dbraw/zinc/62/00/87/636620087.db2.gz USLCJDUARODFQW-ZDUSSCGKSA-N 0 3 312.369 2.126 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2nc(Cl)sc2Cl)C1 ZINC001028734113 636681495 /nfs/dbraw/zinc/68/14/95/636681495.db2.gz QJZKBLSKXWBAMV-MRVPVSSYSA-N 0 3 318.229 2.135 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001028822091 636759001 /nfs/dbraw/zinc/75/90/01/636759001.db2.gz MAVMFMIRCGRWJP-LLVKDONJSA-N 0 3 310.319 2.179 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(OC)c2C)C1 ZINC001028833708 636772272 /nfs/dbraw/zinc/77/22/72/636772272.db2.gz QDMRHEBGSZKKOZ-OAHLLOKOSA-N 0 3 300.402 2.079 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)nc3sccn32)CC1 ZINC001005583933 636788371 /nfs/dbraw/zinc/78/83/71/636788371.db2.gz OUMXWVZIMSNRGR-UHFFFAOYSA-N 0 3 318.446 2.427 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001028899297 636828714 /nfs/dbraw/zinc/82/87/14/636828714.db2.gz GULPUMIFWANWLF-AWEZNQCLSA-N 0 3 315.417 2.407 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(OC)ccn2)CC1 ZINC001005811121 636845427 /nfs/dbraw/zinc/84/54/27/636845427.db2.gz IAESLYLOJSMORS-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN Cc1conc1C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001028913818 636846080 /nfs/dbraw/zinc/84/60/80/636846080.db2.gz DTWSASUIILPZRG-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cnc(-c3ccco3)s2)C1 ZINC001028938325 636874132 /nfs/dbraw/zinc/87/41/32/636874132.db2.gz MVKITOUUHNUHJZ-LBPRGKRZSA-N 0 3 315.398 2.088 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001028983039 636928438 /nfs/dbraw/zinc/92/84/38/636928438.db2.gz XJDIGTGSJBDLRR-HNNXBMFYSA-N 0 3 307.397 2.367 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001029019400 636961972 /nfs/dbraw/zinc/96/19/72/636961972.db2.gz RCUGOTFKEQQTOZ-CYBMUJFWSA-N 0 3 319.474 2.434 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC23CC(OCC)C3)CC1 ZINC001005983368 637026436 /nfs/dbraw/zinc/02/64/36/637026436.db2.gz HSFVCWBTVWSSFD-PQUAAJSLSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOc1ccc(CNC[C@H]2[C@H](C(=O)OC)C2(F)F)cc1 ZINC000894738599 637191124 /nfs/dbraw/zinc/19/11/24/637191124.db2.gz BSYFIYQOYCPSAO-UONOGXRCSA-N 0 3 311.328 2.395 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc(C3CC3)nc2)CC1 ZINC001006090258 637191381 /nfs/dbraw/zinc/19/13/81/637191381.db2.gz CYNZQWBQHOMNOY-UHFFFAOYSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnn(C(C)C)c2C)CC1 ZINC001006274793 637313759 /nfs/dbraw/zinc/31/37/59/637313759.db2.gz LDKHVPJVUUWAFY-UHFFFAOYSA-N 0 3 304.438 2.495 20 30 DEEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2n1 ZINC000179008064 637583389 /nfs/dbraw/zinc/58/33/89/637583389.db2.gz DFILJGQFDZJHGN-NSHDSACASA-N 0 3 320.308 2.492 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838785982 637659248 /nfs/dbraw/zinc/65/92/48/637659248.db2.gz AUBGWCSBRANYCN-CRWXNKLISA-N 0 3 304.390 2.007 20 30 DEEDHN CN1C(=O)CC[C@@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000838876719 637688603 /nfs/dbraw/zinc/68/86/03/637688603.db2.gz ISEBFYWDZXRWMM-VHSXEESVSA-N 0 3 305.403 2.238 20 30 DEEDHN COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1OC ZINC000895159014 637691082 /nfs/dbraw/zinc/69/10/82/637691082.db2.gz BPMALDVQPUXJKA-BZPMIXESSA-N 0 3 322.405 2.166 20 30 DEEDHN C#C[C@H]1CCCN(Cc2ccccc2O[C@H](C)C(=O)OC)C1 ZINC000895203459 637789813 /nfs/dbraw/zinc/78/98/13/637789813.db2.gz QLAFJCYQMIUNQJ-CABCVRRESA-N 0 3 301.386 2.472 20 30 DEEDHN CCCCCCCN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000740874752 637914008 /nfs/dbraw/zinc/91/40/08/637914008.db2.gz GKQZUOFFPYCEID-UHFFFAOYSA-N 0 3 304.438 2.273 20 30 DEEDHN C#CCC1(C(=O)NC[C@H](C)N2CCN(CC)CC2)CCCCC1 ZINC000788160888 638005523 /nfs/dbraw/zinc/00/55/23/638005523.db2.gz MGYRPGMCGPRACH-KRWDZBQOSA-N 0 3 319.493 2.102 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(OCC#N)cc1 ZINC000746205755 638322135 /nfs/dbraw/zinc/32/21/35/638322135.db2.gz CCTVEFFYMZTPEW-OKILXGFUSA-N 0 3 301.390 2.078 20 30 DEEDHN C=CCC1(O)CCN(Cc2ccccc2OCC(=O)OC)CC1 ZINC000896057421 638330943 /nfs/dbraw/zinc/33/09/43/638330943.db2.gz GTAMQKAMPDZUFV-UHFFFAOYSA-N 0 3 319.401 2.141 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@H](C(=O)OCC)C2)cc1 ZINC000896963206 639101716 /nfs/dbraw/zinc/10/17/16/639101716.db2.gz WJQZWXMTFQZSPC-INIZCTEOSA-N 0 3 301.386 2.474 20 30 DEEDHN C#CCOc1ccccc1CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897265085 639300585 /nfs/dbraw/zinc/30/05/85/639300585.db2.gz VNNCLHWDNYGYFY-QGZVFWFLSA-N 0 3 315.413 2.205 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2C)C[C@H]1C ZINC000947813917 639400676 /nfs/dbraw/zinc/40/06/76/639400676.db2.gz FLGNKKAUFMFZRO-DOMZBBRYSA-N 0 3 304.438 2.289 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2ocnc2C)C1 ZINC001029803698 639496045 /nfs/dbraw/zinc/49/60/45/639496045.db2.gz QHWQGFRBDYDGOH-AWEZNQCLSA-N 0 3 305.422 2.476 20 30 DEEDHN CC(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000755853595 639595920 /nfs/dbraw/zinc/59/59/20/639595920.db2.gz UVCKQHPMANAIBP-HNNXBMFYSA-N 0 3 300.358 2.079 20 30 DEEDHN C#CCOCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000756514265 639668686 /nfs/dbraw/zinc/66/86/86/639668686.db2.gz BZFOQEJQLIKVOC-LLVKDONJSA-N 0 3 304.733 2.027 20 30 DEEDHN C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)C(C)(F)F ZINC000985873359 639672590 /nfs/dbraw/zinc/67/25/90/639672590.db2.gz VILAYOBTKCBCFB-BXKDBHETSA-N 0 3 313.373 2.354 20 30 DEEDHN C#CCC[C@H](O)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839754521 639840857 /nfs/dbraw/zinc/84/08/57/639840857.db2.gz RADXFERCFAHFNP-SFHVURJKSA-N 0 3 314.429 2.177 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986284172 639869253 /nfs/dbraw/zinc/86/92/53/639869253.db2.gz ZYERNHNUYQALOE-BLLLJJGKSA-N 0 3 317.458 2.252 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H](NCc2ccccn2)[C@H]1C ZINC000986367994 639891013 /nfs/dbraw/zinc/89/10/13/639891013.db2.gz ZGYYMKXQPPBNIX-WBVHZDCISA-N 0 3 324.428 2.462 20 30 DEEDHN N#Cc1ccc(NCCNCc2nccc3c2CCCC3)nc1 ZINC000897397048 639953800 /nfs/dbraw/zinc/95/38/00/639953800.db2.gz SXLQFEBWMXXTTD-UHFFFAOYSA-N 0 3 307.401 2.429 20 30 DEEDHN COc1ccc(OC)c(CNCCNc2ccc(C#N)cn2)c1 ZINC000897399572 640020476 /nfs/dbraw/zinc/02/04/76/640020476.db2.gz QYTCFVGUSNQWCU-UHFFFAOYSA-N 0 3 312.373 2.172 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](NCCF)[C@@H]2C)cc1 ZINC000987587982 640229847 /nfs/dbraw/zinc/22/98/47/640229847.db2.gz DLCVUMOTDBDMNC-YOEHRIQHSA-N 0 3 320.408 2.342 20 30 DEEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)NCc1ccccc1)C(C)C ZINC000761040182 640257612 /nfs/dbraw/zinc/25/76/12/640257612.db2.gz VYVGGDFLDYZXAI-RDJZCZTQSA-N 0 3 316.401 2.463 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cncnc1 ZINC000761100809 640270140 /nfs/dbraw/zinc/27/01/40/640270140.db2.gz SRBLTEQABHQWSH-GFCCVEGCSA-N 0 3 300.705 2.091 20 30 DEEDHN C=CCN1CC(=O)N(C[C@H](c2ccc(C)cc2)N(C)C)C1=O ZINC000761126736 640274425 /nfs/dbraw/zinc/27/44/25/640274425.db2.gz UMBUXPNTGIUYEJ-OAHLLOKOSA-N 0 3 301.390 2.048 20 30 DEEDHN CSCC(=O)N1C[C@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000987966420 640321316 /nfs/dbraw/zinc/32/13/16/640321316.db2.gz BKYIPFIKRPJPOU-SMDDNHRTSA-N 0 3 321.421 2.139 20 30 DEEDHN CSCC(=O)N1C[C@H](NCc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000987997907 640331621 /nfs/dbraw/zinc/33/16/21/640331621.db2.gz VSXACFZPECULLT-SMDDNHRTSA-N 0 3 321.421 2.139 20 30 DEEDHN CCCN(CC#CCOC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762915759 640482643 /nfs/dbraw/zinc/48/26/43/640482643.db2.gz FISRVECYCPSISQ-HNNXBMFYSA-N 0 3 310.438 2.358 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccn(C3CCCCC3)n2)C1 ZINC000988839644 640672704 /nfs/dbraw/zinc/67/27/04/640672704.db2.gz UQRJYRBOBBYVAS-LSDHHAIUSA-N 0 3 314.433 2.214 20 30 DEEDHN CC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000764756573 640689038 /nfs/dbraw/zinc/68/90/38/640689038.db2.gz UCSKXLQATCXCGW-CYBMUJFWSA-N 0 3 313.382 2.431 20 30 DEEDHN C=C(Br)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000764765480 640691256 /nfs/dbraw/zinc/69/12/56/640691256.db2.gz DJZDKWHMJYKICM-LBPRGKRZSA-N 0 3 316.243 2.211 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(CC)c3ccccc23)C1 ZINC000989146917 640734918 /nfs/dbraw/zinc/73/49/18/640734918.db2.gz WDSCMCPFNUVPBL-LSDHHAIUSA-N 0 3 309.413 2.487 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)c1cnco1 ZINC000989260639 640770428 /nfs/dbraw/zinc/77/04/28/640770428.db2.gz PUKRPEXYZIEPCI-MNOVXSKESA-N 0 3 316.386 2.001 20 30 DEEDHN Cc1ccc(N=NCc2ccc(N3CCOCC3)s2)nn1 ZINC000729936106 640860809 /nfs/dbraw/zinc/86/08/09/640860809.db2.gz GSDCXCGXVBFUPM-UHFFFAOYSA-N 0 3 303.391 2.129 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897931611 640970179 /nfs/dbraw/zinc/97/01/79/640970179.db2.gz WXTQGNQIBSMAQZ-DOTOQJQBSA-N 0 3 320.433 2.178 20 30 DEEDHN N#Cc1ccc(C2=CCN(CCCN3CCOC3=O)CC2)cc1 ZINC000767730438 641015710 /nfs/dbraw/zinc/01/57/10/641015710.db2.gz KOZMKNCHMGRUOE-UHFFFAOYSA-N 0 3 311.385 2.490 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN(CC(N)=O)C2CCCC2)cc1 ZINC000768257720 641063515 /nfs/dbraw/zinc/06/35/15/641063515.db2.gz OTSMADGZHFJSPJ-ZDUSSCGKSA-N 0 3 301.390 2.207 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000989486412 641117804 /nfs/dbraw/zinc/11/78/04/641117804.db2.gz VCXTZJIMOHWNBH-DOMZBBRYSA-N 0 3 313.376 2.062 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cccc(Cl)c2F)C1 ZINC000989486886 641118235 /nfs/dbraw/zinc/11/82/35/641118235.db2.gz VYXKFXWOYUSQSZ-AAEUAGOBSA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000989776836 641226217 /nfs/dbraw/zinc/22/62/17/641226217.db2.gz XKEBJIQZSAHQNX-AAEUAGOBSA-N 0 3 306.793 2.174 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2cccc(OCC)c2)C1 ZINC000989841392 641250982 /nfs/dbraw/zinc/25/09/82/641250982.db2.gz GIIPUQBDPKQONL-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(C)ncn3)CCC[C@@H]12 ZINC000990264732 641421741 /nfs/dbraw/zinc/42/17/41/641421741.db2.gz HJXBWTJZJDDTGB-NVXWUHKLSA-N 0 3 300.406 2.088 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1 ZINC000730125561 641478939 /nfs/dbraw/zinc/47/89/39/641478939.db2.gz VVVIRLSMEHZLCR-UHFFFAOYSA-N 0 3 306.410 2.083 20 30 DEEDHN CN1CCN(c2ccc(C=NO[C@H]3CCCCO3)cc2)CC1 ZINC000771557592 641525306 /nfs/dbraw/zinc/52/53/06/641525306.db2.gz GCHUEAKHRBDOSH-KRWDZBQOSA-N 0 3 303.406 2.316 20 30 DEEDHN CCOCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000772375356 641632009 /nfs/dbraw/zinc/63/20/09/641632009.db2.gz WDVUOTDQPXRWTL-GFCCVEGCSA-N 0 3 317.414 2.441 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC)c1 ZINC000842289105 650694913 /nfs/dbraw/zinc/69/49/13/650694913.db2.gz OMCDSOYZSRALDW-HUUCEWRRSA-N 0 3 318.373 2.404 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(N(C)C)cc1 ZINC000774483112 641909126 /nfs/dbraw/zinc/90/91/26/641909126.db2.gz MOPONWRBIZHWBL-KGLIPLIRSA-N 0 3 302.422 2.164 20 30 DEEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101117 641941914 /nfs/dbraw/zinc/94/19/14/641941914.db2.gz FDOADZHIOPHLCK-BBRMVZONSA-N 0 3 304.438 2.229 20 30 DEEDHN C#C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000775572937 642061181 /nfs/dbraw/zinc/06/11/81/642061181.db2.gz DPWQFFHQLFDZHC-ILXRZTDVSA-N 0 3 308.422 2.156 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837044 642103853 /nfs/dbraw/zinc/10/38/53/642103853.db2.gz QTYNPUXZRQNICX-CABCVRRESA-N 0 3 316.449 2.411 20 30 DEEDHN CCO[C@H](CC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000842343766 650714257 /nfs/dbraw/zinc/71/42/57/650714257.db2.gz SVMQLCMIRRZSFF-HUUCEWRRSA-N 0 3 302.374 2.135 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC1CCN(C(C)=O)CC1 ZINC000778152283 642344360 /nfs/dbraw/zinc/34/43/60/642344360.db2.gz RUDKHRHMSOEVDD-UHFFFAOYSA-N 0 3 320.820 2.453 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000778293339 642367883 /nfs/dbraw/zinc/36/78/83/642367883.db2.gz DBRDLANHOHBPTD-GJZGRUSLSA-N 0 3 302.349 2.335 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N[C@H](CN(C)C)C(C)C)cc1 ZINC000900693605 642445920 /nfs/dbraw/zinc/44/59/20/642445920.db2.gz YAFGUJZIMUFTQK-SIFUEBAJSA-N 0 3 302.418 2.436 20 30 DEEDHN COc1ccc(C(C)=NN(C)[C@@H](C)CO)cc1CN1CCCC1 ZINC000842543966 650764545 /nfs/dbraw/zinc/76/45/45/650764545.db2.gz CUHQHEVYCDODRJ-AWEZNQCLSA-N 0 3 319.449 2.328 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3nn(C)cc3Cl)CCC[C@H]12 ZINC000990869611 642558086 /nfs/dbraw/zinc/55/80/86/642558086.db2.gz IOCFACHTZKMLSR-XJKSGUPXSA-N 0 3 322.840 2.376 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3Cc4ccccc4O3)CCC[C@@H]12 ZINC000990871217 642562138 /nfs/dbraw/zinc/56/21/38/642562138.db2.gz OKNPBEPTQVDWFH-ILZDJORESA-N 0 3 324.424 2.127 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnn3C(C)C)CCC[C@H]12 ZINC000990891046 642716429 /nfs/dbraw/zinc/71/64/29/642716429.db2.gz MEBAWIDFDHKLSN-RDJZCZTQSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C4CC4)nn3C)CCC[C@@H]12 ZINC000990891391 642719346 /nfs/dbraw/zinc/71/93/46/642719346.db2.gz NNLZXMQTSMLOME-AEFFLSMTSA-N 0 3 314.433 2.210 20 30 DEEDHN CC(C)[C@H](F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000784060321 643090682 /nfs/dbraw/zinc/09/06/82/643090682.db2.gz CXXAHJSMPVAZBX-INIZCTEOSA-N 0 3 305.397 2.443 20 30 DEEDHN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1cc(C#N)ccn1 ZINC000902818707 643150405 /nfs/dbraw/zinc/15/04/05/643150405.db2.gz OUIKNMFJVNIGHI-HIFRSBDPSA-N 0 3 310.405 2.006 20 30 DEEDHN C#CCCCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712495 643266361 /nfs/dbraw/zinc/26/63/61/643266361.db2.gz SMVQFNGPNSJLNV-UHFFFAOYSA-N 0 3 315.413 2.461 20 30 DEEDHN CCN1CCC[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C1=O ZINC000903392536 643331433 /nfs/dbraw/zinc/33/14/33/643331433.db2.gz UIVXEAFLRFSVTF-CZUORRHYSA-N 0 3 301.390 2.250 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)OC)c1 ZINC000786302751 643350349 /nfs/dbraw/zinc/35/03/49/643350349.db2.gz AXHXAGUXSZOYCW-ZDUSSCGKSA-N 0 3 304.346 2.158 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000786444154 643367929 /nfs/dbraw/zinc/36/79/29/643367929.db2.gz JOWPFMOQZRSRPV-OAHLLOKOSA-N 0 3 317.433 2.358 20 30 DEEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786510689 643376723 /nfs/dbraw/zinc/37/67/23/643376723.db2.gz GXBFMNLSBUWGLD-NSHDSACASA-N 0 3 319.311 2.230 20 30 DEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533711 643380980 /nfs/dbraw/zinc/38/09/80/643380980.db2.gz HNDJGADIQCICFR-FZMZJTMJSA-N 0 3 322.792 2.480 20 30 DEEDHN CC(C)(C)OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535504 643381512 /nfs/dbraw/zinc/38/15/12/643381512.db2.gz RTGCFSGPPAQLAH-ZDUSSCGKSA-N 0 3 322.792 2.480 20 30 DEEDHN CC(C)(C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786562504 643385387 /nfs/dbraw/zinc/38/53/87/643385387.db2.gz YEEGNHPXMYNHRP-LBPRGKRZSA-N 0 3 324.327 2.105 20 30 DEEDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000787280484 643475426 /nfs/dbraw/zinc/47/54/26/643475426.db2.gz WQMMVEBHHATUQZ-RYUDHWBXSA-N 0 3 317.389 2.002 20 30 DEEDHN COCCN(Cc1ccc(N(C)CCC#N)cc1)[C@H]1CCOC1 ZINC000787335992 643483709 /nfs/dbraw/zinc/48/37/09/643483709.db2.gz XLYTZOBUQVECCX-SFHVURJKSA-N 0 3 317.433 2.274 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H]2CCCN2CCOC)CCCCC1 ZINC000788200292 643575575 /nfs/dbraw/zinc/57/55/75/643575575.db2.gz GKKNSLOSEOEXFD-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC[C@H](O)C2(O)CCCC2)c1 ZINC000905117065 643795052 /nfs/dbraw/zinc/79/50/52/643795052.db2.gz MHPJBMNJKZAZCM-RDJZCZTQSA-N 0 3 318.417 2.123 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)N1CCCCC1 ZINC000792076495 644070955 /nfs/dbraw/zinc/07/09/55/644070955.db2.gz SJGPIDVBRALVST-CRAIPNDOSA-N 0 3 324.428 2.231 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000792186465 644086132 /nfs/dbraw/zinc/08/61/32/644086132.db2.gz ODGRBQGPFPGZFJ-GDBMZVCRSA-N 0 3 313.401 2.174 20 30 DEEDHN C#CCN(CC#CC)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000792867288 644162187 /nfs/dbraw/zinc/16/21/87/644162187.db2.gz OFJMMPKXOXQLND-FQEVSTJZSA-N 0 3 310.441 2.236 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000906594322 644297240 /nfs/dbraw/zinc/29/72/40/644297240.db2.gz XRUFGFGNFPSVNQ-UHFFFAOYSA-N 0 3 311.429 2.484 20 30 DEEDHN CN(C(=O)[C@@]1(C#N)CC2CCC1CC2)[C@H]1CCN(C2CC2)C1 ZINC000906652892 644309467 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UFXJXRXMJJPDKP-FZMZJTMJSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001356737251 1152124508 /nfs/dbraw/zinc/12/45/08/1152124508.db2.gz YSJIGIMMWGTUAW-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CC=C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000859073726 685649552 /nfs/dbraw/zinc/64/95/52/685649552.db2.gz NAMCBQSGFRHFIU-PBHICJAKSA-N 0 3 310.438 2.421 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nnc(C(C)C)o1 ZINC000080267390 683979551 /nfs/dbraw/zinc/97/95/51/683979551.db2.gz JFYHLQYWSYCDBD-LBPRGKRZSA-N 0 3 320.393 2.141 20 30 DEEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000120722264 684100416 /nfs/dbraw/zinc/10/04/16/684100416.db2.gz IQVMFCNKISHTHC-AWEZNQCLSA-N 0 3 324.340 2.225 20 30 DEEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000133453309 684219971 /nfs/dbraw/zinc/21/99/71/684219971.db2.gz UWSQHCHOJRDKBD-ZDUSSCGKSA-N 0 3 313.382 2.116 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)n1cccc1)C2 ZINC001054118513 693851525 /nfs/dbraw/zinc/85/15/25/693851525.db2.gz JXKFOCSMGNQKIU-IEBWSBKVSA-N 0 3 313.445 2.387 20 30 DEEDHN CC[C@@H](F)CN1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130506 693857203 /nfs/dbraw/zinc/85/72/03/693857203.db2.gz RHNQWLDMXRQPLX-AEFFLSMTSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cncc(CC)c1)C2 ZINC001054164536 693867599 /nfs/dbraw/zinc/86/75/99/693867599.db2.gz LUBLBVPHZVCIQK-IBGZPJMESA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(Cl)[nH]1)C2 ZINC001054193087 693876647 /nfs/dbraw/zinc/87/66/47/693876647.db2.gz PNGQARRNCNULAJ-INIZCTEOSA-N 0 3 305.809 2.229 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccnc(C)c1)C2 ZINC001054216201 693885344 /nfs/dbraw/zinc/88/53/44/693885344.db2.gz PMGKCUHNZPYYNB-IBGZPJMESA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1cccc(F)c1)C2 ZINC001054236105 693894933 /nfs/dbraw/zinc/89/49/33/693894933.db2.gz CVMFXONTDOCWGU-IBGZPJMESA-N 0 3 314.404 2.316 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(F)s1)C2 ZINC001054246728 693898877 /nfs/dbraw/zinc/89/88/77/693898877.db2.gz HRGQCVFMQYXOHP-MRXNPFEDSA-N 0 3 306.406 2.449 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCC(N2CCNC2=O)CC1 ZINC000929295352 693932116 /nfs/dbraw/zinc/93/21/16/693932116.db2.gz GQXNATRDAHZDPM-UHFFFAOYSA-N 0 3 312.417 2.165 20 30 DEEDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1C#N ZINC000859189052 685675475 /nfs/dbraw/zinc/67/54/75/685675475.db2.gz LAPMISPSPMQGTP-INIZCTEOSA-N 0 3 312.369 2.136 20 30 DEEDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1C#N ZINC000859189052 685675482 /nfs/dbraw/zinc/67/54/82/685675482.db2.gz LAPMISPSPMQGTP-INIZCTEOSA-N 0 3 312.369 2.136 20 30 DEEDHN N#CC1(NC(=O)CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCC1 ZINC000859926557 685855083 /nfs/dbraw/zinc/85/50/83/685855083.db2.gz JFRPAKDTPVKACC-YESZJQIVSA-N 0 3 309.413 2.284 20 30 DEEDHN COc1cccc([C@@H](O)C2CCN(CCOCCC#N)CC2)c1 ZINC000860133462 685889355 /nfs/dbraw/zinc/88/93/55/685889355.db2.gz GEIUBDQNGKHLSZ-SFHVURJKSA-N 0 3 318.417 2.371 20 30 DEEDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc(C#N)cc2C)C1 ZINC000861351173 686056228 /nfs/dbraw/zinc/05/62/28/686056228.db2.gz SNWPCOWFYDOKQC-RHSMWYFYSA-N 0 3 302.374 2.133 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1C ZINC001054863709 694061574 /nfs/dbraw/zinc/06/15/74/694061574.db2.gz VXESHKOJUQOOGR-ABAIWWIYSA-N 0 3 318.808 2.137 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCCO2)CC1 ZINC000865194313 686964531 /nfs/dbraw/zinc/96/45/31/686964531.db2.gz UWLVFSSSZIASAB-HNNXBMFYSA-N 0 3 318.421 2.032 20 30 DEEDHN COC[C@](C)(CC(=O)OC)NCc1c(C)cc(C#N)cc1C ZINC000930017175 694071335 /nfs/dbraw/zinc/07/13/35/694071335.db2.gz HXKLXXXFCCMYAB-KRWDZBQOSA-N 0 3 304.390 2.233 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@@H]1C ZINC001054960783 694082507 /nfs/dbraw/zinc/08/25/07/694082507.db2.gz DUBUSKIDMQWXEA-IINYFYTJSA-N 0 3 318.808 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1C ZINC001054960783 694082513 /nfs/dbraw/zinc/08/25/13/694082513.db2.gz DUBUSKIDMQWXEA-IINYFYTJSA-N 0 3 318.808 2.366 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NCc3cccnc3)C2)cc1 ZINC001054962288 694082783 /nfs/dbraw/zinc/08/27/83/694082783.db2.gz OWSYYUPYTUZBGS-BEFAXECRSA-N 0 3 319.408 2.313 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cncc(F)c2)C1 ZINC001054976078 694087119 /nfs/dbraw/zinc/08/71/19/694087119.db2.gz INZHUKKQRQCUGI-IUODEOHRSA-N 0 3 305.397 2.369 20 30 DEEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@H](c2ccccc2)N(C)C)C1=O ZINC000865296872 687170367 /nfs/dbraw/zinc/17/03/67/687170367.db2.gz HZOMVYDVSJAXNP-ZIAGYGMSSA-N 0 3 321.808 2.352 20 30 DEEDHN C=C(C)C[C@@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)N(C)C)C1=O ZINC000865298568 687170436 /nfs/dbraw/zinc/17/04/36/687170436.db2.gz HALMCYQXUTXTME-JKSUJKDBSA-N 0 3 315.417 2.484 20 30 DEEDHN C=C[C@H](CO)NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000865633237 687284955 /nfs/dbraw/zinc/28/49/55/687284955.db2.gz ZHKULRQMMGCRLJ-OAHLLOKOSA-N 0 3 306.406 2.348 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2noc3c2CCCCC3)C1 ZINC001015779725 687418936 /nfs/dbraw/zinc/41/89/36/687418936.db2.gz PCPVWILXZDLPDD-CYBMUJFWSA-N 0 3 303.406 2.324 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001015794510 687424382 /nfs/dbraw/zinc/42/43/82/687424382.db2.gz JPDYYYKJLKUHHF-INIZCTEOSA-N 0 3 309.413 2.233 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001015831375 687436065 /nfs/dbraw/zinc/43/60/65/687436065.db2.gz SUQARLHMWZJRRZ-CYBMUJFWSA-N 0 3 317.364 2.276 20 30 DEEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000930218443 694114039 /nfs/dbraw/zinc/11/40/39/694114039.db2.gz OARFKGMCPSTUOZ-CXAGYDPISA-N 0 3 324.384 2.259 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(COC)c2)C1 ZINC001015983947 687490170 /nfs/dbraw/zinc/49/01/70/687490170.db2.gz OQFBTNABYHBCFM-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001016559829 687652101 /nfs/dbraw/zinc/65/21/01/687652101.db2.gz OVRKLHJIHMUHCM-TWMKSMIVSA-N 0 3 300.446 2.417 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000930288301 694128685 /nfs/dbraw/zinc/12/86/85/694128685.db2.gz UHXIASRDGMOEFH-ZUZCIYMTSA-N 0 3 302.353 2.302 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(F)ccc2F)CC1 ZINC001016662239 687677451 /nfs/dbraw/zinc/67/74/51/687677451.db2.gz JXEIECKYXVWOJT-HNNXBMFYSA-N 0 3 304.340 2.182 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)c(F)cc2F)CC1 ZINC001016682945 687681628 /nfs/dbraw/zinc/68/16/28/687681628.db2.gz SBHHTPOJLJMXFW-INIZCTEOSA-N 0 3 318.367 2.491 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001016746761 687694312 /nfs/dbraw/zinc/69/43/12/687694312.db2.gz JKUALKOQMKWUTM-YYIAUSFCSA-N 0 3 300.446 2.417 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)c2ccco2)CC1 ZINC001016821127 687710283 /nfs/dbraw/zinc/71/02/83/687710283.db2.gz ZAZWIRBWGSKDGB-ZBFHGGJFSA-N 0 3 300.402 2.377 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(C(C)C)no2)CC1 ZINC001016859930 687720981 /nfs/dbraw/zinc/72/09/81/687720981.db2.gz FAKPIBMQOHTQGY-OAHLLOKOSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2ccc(CC)cc2)CC1 ZINC001016861262 687721064 /nfs/dbraw/zinc/72/10/64/687721064.db2.gz VAGWOTBVQZAWQS-GOSISDBHSA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC001016901730 687730549 /nfs/dbraw/zinc/73/05/49/687730549.db2.gz FZFARADJFIMPMI-QGZVFWFLSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ncoc2C(C)(C)C)CC1 ZINC001016922124 687733667 /nfs/dbraw/zinc/73/36/67/687733667.db2.gz YORUSEOYMKLXEU-ZDUSSCGKSA-N 0 3 315.417 2.190 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(c3ccccc3)CC2)CC1 ZINC001016958674 687743344 /nfs/dbraw/zinc/74/33/44/687743344.db2.gz LTRJTDLCCCOVPZ-KRWDZBQOSA-N 0 3 308.425 2.322 20 30 DEEDHN CN(Cc1ccccn1)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017123320 687795824 /nfs/dbraw/zinc/79/58/24/687795824.db2.gz HMDYTWMSVCUASJ-KRWDZBQOSA-N 0 3 311.429 2.165 20 30 DEEDHN CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017479864 687900002 /nfs/dbraw/zinc/90/00/02/687900002.db2.gz GDUCNKSOVNJWQN-YUELXQCFSA-N 0 3 300.406 2.221 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001017564237 687914060 /nfs/dbraw/zinc/91/40/60/687914060.db2.gz XQNWMDZTNOCCDT-XWTMOSNGSA-N 0 3 311.429 2.436 20 30 DEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001017607886 687923266 /nfs/dbraw/zinc/92/32/66/687923266.db2.gz FAAFZYUBTHLUBS-TXEJJXNPSA-N 0 3 320.824 2.415 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)nc1 ZINC001017720511 687946402 /nfs/dbraw/zinc/94/64/02/687946402.db2.gz DOBZZKIIKPSLIF-IYBDPMFKSA-N 0 3 315.417 2.345 20 30 DEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001017945572 688008539 /nfs/dbraw/zinc/00/85/39/688008539.db2.gz RUHCTWXACAJLOR-DAYGRLMNSA-N 0 3 323.456 2.060 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001018047113 688038017 /nfs/dbraw/zinc/03/80/17/688038017.db2.gz IKWPNWFIFVHKBZ-BHYGNILZSA-N 0 3 316.449 2.230 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C1CCN(C(C)=O)CC1 ZINC000930456467 694166335 /nfs/dbraw/zinc/16/63/35/694166335.db2.gz TWTYSTUTMNGNGK-UHFFFAOYSA-N 0 3 306.406 2.161 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)noc1C ZINC001018262761 688095882 /nfs/dbraw/zinc/09/58/82/688095882.db2.gz XMQIFWWDVLSHDE-GASCZTMLSA-N 0 3 303.406 2.085 20 30 DEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001018298463 688104244 /nfs/dbraw/zinc/10/42/44/688104244.db2.gz JDTDMUTUVBYACB-HDICACEKSA-N 0 3 313.445 2.223 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1F ZINC001018490539 688157710 /nfs/dbraw/zinc/15/77/10/688157710.db2.gz QKXGIYQFYOODMF-AWEZNQCLSA-N 0 3 312.348 2.030 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1coc(C#N)c1 ZINC000868850648 688159619 /nfs/dbraw/zinc/15/96/19/688159619.db2.gz HWDDNPZFPFUIFQ-UHFFFAOYSA-N 0 3 303.387 2.417 20 30 DEEDHN CN(C)Cc1ccc(NC(=O)[C@@]2(C#N)CCCOC2)c(F)c1 ZINC000868868627 688164308 /nfs/dbraw/zinc/16/43/08/688164308.db2.gz HFCHUDODPZSNGO-MRXNPFEDSA-N 0 3 305.353 2.146 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018796266 688233349 /nfs/dbraw/zinc/23/33/49/688233349.db2.gz NMHKEINASUPEME-LBPRGKRZSA-N 0 3 314.414 2.261 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)COc2ccc(C(C)C)cc2)C1 ZINC001019103294 688285050 /nfs/dbraw/zinc/28/50/50/688285050.db2.gz GSMQFRCDVSOWLP-INIZCTEOSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001019184385 688295613 /nfs/dbraw/zinc/29/56/13/688295613.db2.gz NYBPQCAJWPFQKT-LBPRGKRZSA-N 0 3 300.333 2.318 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CC2CCC2)C1 ZINC001020046587 688449003 /nfs/dbraw/zinc/44/90/03/688449003.db2.gz GGIGBLQPBLLRAS-HAQNSBGRSA-N 0 3 301.228 2.322 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ncnc3sccc32)C1 ZINC001020174892 688479230 /nfs/dbraw/zinc/47/92/30/688479230.db2.gz WPJOOLJZZWCCAF-MGCOHNPYSA-N 0 3 322.821 2.294 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001020203997 688484515 /nfs/dbraw/zinc/48/45/15/688484515.db2.gz NTNNZENDBIOMJQ-AVGNSLFASA-N 0 3 310.829 2.457 20 30 DEEDHN N#CC1CCC(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000930647646 694209506 /nfs/dbraw/zinc/20/95/06/694209506.db2.gz NVSSGGDBPQZNHA-UYSNPLJNSA-N 0 3 310.463 2.217 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]1CNCc3ccccc31)C2 ZINC000871012528 688709979 /nfs/dbraw/zinc/70/99/79/688709979.db2.gz XEMDMMJSLQZBNQ-PKOBYXMFSA-N 0 3 317.392 2.029 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCCC[C@@H]2C=CCC2)nc1 ZINC000872248792 688963342 /nfs/dbraw/zinc/96/33/42/688963342.db2.gz WJVLSTOWIJGQTB-CQSZACIVSA-N 0 3 319.430 2.063 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001031670334 688977270 /nfs/dbraw/zinc/97/72/70/688977270.db2.gz GLYAINHWDXOLIN-CQSZACIVSA-N 0 3 321.446 2.232 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001031735100 688988349 /nfs/dbraw/zinc/98/83/49/688988349.db2.gz XWCBAMYSBGYBKJ-UHFFFAOYSA-N 0 3 313.376 2.002 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001031801748 689000055 /nfs/dbraw/zinc/00/00/55/689000055.db2.gz GAOVYNAXFJQPBI-ZIAGYGMSSA-N 0 3 316.367 2.426 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001031851800 689008450 /nfs/dbraw/zinc/00/84/50/689008450.db2.gz JCGLOOYJXUYYJN-INIZCTEOSA-N 0 3 316.832 2.441 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(F)c3occc32)C1 ZINC001032199043 689082514 /nfs/dbraw/zinc/08/25/14/689082514.db2.gz VJXXSMSEVWYUEH-UHFFFAOYSA-N 0 3 300.333 2.257 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)c1 ZINC001032338831 689124375 /nfs/dbraw/zinc/12/43/75/689124375.db2.gz DETVUQAYXXQVLG-HOTGVXAUSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC(F)F ZINC001032404634 689141719 /nfs/dbraw/zinc/14/17/19/689141719.db2.gz PZKYRKVOMSICFN-STQMWFEESA-N 0 3 324.375 2.013 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001032408394 689142717 /nfs/dbraw/zinc/14/27/17/689142717.db2.gz PTKURWKBRHKDOP-QAETUUGQSA-N 0 3 306.450 2.299 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001032531546 689177995 /nfs/dbraw/zinc/17/79/95/689177995.db2.gz VRXIZOYPAWYHPV-NXOAAHMSSA-N 0 3 304.434 2.053 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cnn(C)c1 ZINC001032536219 689179084 /nfs/dbraw/zinc/17/90/84/689179084.db2.gz BYHICJIBAFJZDZ-XIRDDKMYSA-N 0 3 316.449 2.165 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCOCC1 ZINC001032540745 689180158 /nfs/dbraw/zinc/18/01/58/689180158.db2.gz OXNXGQFJOYMJEF-IRXDYDNUSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001032791061 689261880 /nfs/dbraw/zinc/26/18/80/689261880.db2.gz HUFNSVOMPDNIOP-RCBQFDQVSA-N 0 3 316.449 2.066 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1nc(C)cc1C ZINC001032813160 689269249 /nfs/dbraw/zinc/26/92/49/689269249.db2.gz NOUKHIYBPQUYRJ-ULQDDVLXSA-N 0 3 316.449 2.312 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OCC)nc2)C1 ZINC001033121239 689396192 /nfs/dbraw/zinc/39/61/92/689396192.db2.gz BEWAFCUQVVTVCP-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001033147146 689405061 /nfs/dbraw/zinc/40/50/61/689405061.db2.gz UILHGTJYUIENDX-HNNXBMFYSA-N 0 3 323.396 2.110 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnn2C(CC)CC)C1 ZINC001033152274 689406355 /nfs/dbraw/zinc/40/63/55/689406355.db2.gz OLLMJQFIZRLGHE-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001033184346 689415985 /nfs/dbraw/zinc/41/59/85/689415985.db2.gz JSWGIEHUHAOKKK-INIZCTEOSA-N 0 3 313.445 2.224 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2nc(Cl)sc2C)C1 ZINC001033258172 689441911 /nfs/dbraw/zinc/44/19/11/689441911.db2.gz YRCBXAFQOODFEF-LLVKDONJSA-N 0 3 311.838 2.275 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2COC)C1 ZINC001033228530 689432098 /nfs/dbraw/zinc/43/20/98/689432098.db2.gz NBZKMJJWBAFAAG-INIZCTEOSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cccc3ncccc23)C1 ZINC001033254363 689440040 /nfs/dbraw/zinc/44/00/40/689440040.db2.gz CBDFTNLAOJFCFQ-KRWDZBQOSA-N 0 3 321.424 2.333 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001033272410 689447245 /nfs/dbraw/zinc/44/72/45/689447245.db2.gz NCBZOYTXIFZPKT-LBPRGKRZSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2sc(C)nc2C)C1 ZINC001033280680 689448900 /nfs/dbraw/zinc/44/89/00/689448900.db2.gz QVKIRHOGLOOSEC-CQSZACIVSA-N 0 3 307.463 2.411 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001033307607 689455549 /nfs/dbraw/zinc/45/55/49/689455549.db2.gz CMUBFRMABXWSLK-KRWDZBQOSA-N 0 3 314.429 2.273 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cncc3sccc32)C1 ZINC001033357419 689474971 /nfs/dbraw/zinc/47/49/71/689474971.db2.gz FQWOWNFZANCUTF-ZDUSSCGKSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001033371634 689480656 /nfs/dbraw/zinc/48/06/56/689480656.db2.gz BAFSLCKNENDKMX-KRWDZBQOSA-N 0 3 323.440 2.277 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(CCOC3CCC3)C2)C1 ZINC001033397941 689487310 /nfs/dbraw/zinc/48/73/10/689487310.db2.gz FLNCKABMLJMZQI-HNNXBMFYSA-N 0 3 306.450 2.445 20 30 DEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](C#N)CCc1ccccc1 ZINC000874830494 689505398 /nfs/dbraw/zinc/50/53/98/689505398.db2.gz ROLMJEZZJMGSHY-OKZBNKHCSA-N 0 3 311.429 2.454 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001033491551 689520290 /nfs/dbraw/zinc/52/02/90/689520290.db2.gz JCQOAGDXNGVDHQ-BHYGNILZSA-N 0 3 314.404 2.485 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3scnc3c2)C1 ZINC001033550623 689538757 /nfs/dbraw/zinc/53/87/57/689538757.db2.gz HHQYYXJQPSYPJQ-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033554179 689541061 /nfs/dbraw/zinc/54/10/61/689541061.db2.gz BDKNPNYUGBFCCU-GOSISDBHSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001033579138 689549806 /nfs/dbraw/zinc/54/98/06/689549806.db2.gz LTCPTBWMPFBWMA-OAHLLOKOSA-N 0 3 304.438 2.495 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001033582474 689550467 /nfs/dbraw/zinc/55/04/67/689550467.db2.gz MTZUSTXTPUOPHU-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2F)C1 ZINC001033601173 689555799 /nfs/dbraw/zinc/55/57/99/689555799.db2.gz KMCJDDKPBFUFCN-INIZCTEOSA-N 0 3 302.393 2.233 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(OC)cc(OC)c2)C1 ZINC001033620820 689561808 /nfs/dbraw/zinc/56/18/08/689561808.db2.gz IHONMLFOLPVQSE-HNNXBMFYSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC001033686502 689584700 /nfs/dbraw/zinc/58/47/00/689584700.db2.gz PPDUVZZDDRNJSW-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001033706469 689589297 /nfs/dbraw/zinc/58/92/97/689589297.db2.gz GWKWOYVLRONQFU-CZUORRHYSA-N 0 3 318.465 2.249 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(OC(C)C)cn2)C1 ZINC001033719330 689594330 /nfs/dbraw/zinc/59/43/30/689594330.db2.gz NFJKZIWOPSHAAA-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccn(CC(C)C)n2)C1 ZINC001033841643 689634358 /nfs/dbraw/zinc/63/43/58/689634358.db2.gz BFLHVGQFPFDRIF-MRXNPFEDSA-N 0 3 316.449 2.099 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001033893928 689653584 /nfs/dbraw/zinc/65/35/84/689653584.db2.gz SSAQBERQXYBGKQ-SJLPKXTDSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033956488 689672930 /nfs/dbraw/zinc/67/29/30/689672930.db2.gz GNQXWACAVDSYOU-BZUAXINKSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC001033969589 689677138 /nfs/dbraw/zinc/67/71/38/689677138.db2.gz OZZOTGQTBKDDSP-IBGZPJMESA-N 0 3 310.441 2.348 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034015866 689694531 /nfs/dbraw/zinc/69/45/31/689694531.db2.gz QGRGAJVVOSLNOF-HOCLYGCPSA-N 0 3 316.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001034017257 689694620 /nfs/dbraw/zinc/69/46/20/689694620.db2.gz QPZNDOOMWWPPSF-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034021327 689696461 /nfs/dbraw/zinc/69/64/61/689696461.db2.gz WUJPVIWGYGSKEW-CYBMUJFWSA-N 0 3 305.809 2.295 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001034268374 689788247 /nfs/dbraw/zinc/78/82/47/689788247.db2.gz ITKPFAJTTDRACA-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034363477 689822720 /nfs/dbraw/zinc/82/27/20/689822720.db2.gz BGALITVXSHKOTQ-HNNXBMFYSA-N 0 3 305.422 2.112 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001034427179 689845655 /nfs/dbraw/zinc/84/56/55/689845655.db2.gz SZMUZKOHYSRCHI-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001034489701 689870887 /nfs/dbraw/zinc/87/08/87/689870887.db2.gz HVWHVWLMYFRVLI-ZDUSSCGKSA-N 0 3 324.856 2.411 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001034491764 689871567 /nfs/dbraw/zinc/87/15/67/689871567.db2.gz WTCNFPNFHQXUDG-INIZCTEOSA-N 0 3 312.417 2.193 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000876601115 689872372 /nfs/dbraw/zinc/87/23/72/689872372.db2.gz LNEYMNGZOZGJIT-UWVGGRQHSA-N 0 3 314.735 2.026 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034494754 689873323 /nfs/dbraw/zinc/87/33/23/689873323.db2.gz DKXOKUMYQCWYPH-CQSZACIVSA-N 0 3 305.809 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000876632920 689882946 /nfs/dbraw/zinc/88/29/46/689882946.db2.gz OJFUGUGEOXJIAN-VIFPVBQESA-N 0 3 314.769 2.121 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001034536380 689890078 /nfs/dbraw/zinc/89/00/78/689890078.db2.gz TZYWLNBDZVKOAH-OAHLLOKOSA-N 0 3 314.433 2.208 20 30 DEEDHN C=CCCN1CCCC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001034544952 689894483 /nfs/dbraw/zinc/89/44/83/689894483.db2.gz WNYWZTQNINGPLL-ZDUSSCGKSA-N 0 3 321.446 2.007 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001034551800 689896098 /nfs/dbraw/zinc/89/60/98/689896098.db2.gz VJQZKQFEWLVIRU-AWEZNQCLSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000876683036 689900731 /nfs/dbraw/zinc/90/07/31/689900731.db2.gz PBBFNQIJTYHFHC-QEJZJMRPSA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000876682848 689900858 /nfs/dbraw/zinc/90/08/58/689900858.db2.gz PBAQFDCRYFTVBQ-GXSJLCMTSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000876689715 689903949 /nfs/dbraw/zinc/90/39/49/689903949.db2.gz KIUQHRCGNMQDOB-CYBMUJFWSA-N 0 3 322.796 2.015 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(F)c(F)cc(F)c1F ZINC000876702937 689908635 /nfs/dbraw/zinc/90/86/35/689908635.db2.gz ULDQDNQNCWFVCZ-VIFPVBQESA-N 0 3 310.678 2.329 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000876814926 689945569 /nfs/dbraw/zinc/94/55/69/689945569.db2.gz RYLDBMVKHGQAMF-INIZCTEOSA-N 0 3 324.432 2.128 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCCOC[C@H]2CCCO2)c1 ZINC000876899715 689968238 /nfs/dbraw/zinc/96/82/38/689968238.db2.gz PBDRTSDILHZNSY-CQSZACIVSA-N 0 3 309.797 2.282 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@@H]1c1noc(C)n1 ZINC000876906300 689970016 /nfs/dbraw/zinc/97/00/16/689970016.db2.gz VWIMRVKVYUYJSG-VXGBXAGGSA-N 0 3 312.801 2.292 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccc(OC)cn2)CC1 ZINC000876945450 689979010 /nfs/dbraw/zinc/97/90/10/689979010.db2.gz ZBRFOLCAOHBCAD-CQSZACIVSA-N 0 3 323.824 2.266 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2c(OC)cc(OC)cc21 ZINC000877012288 689997194 /nfs/dbraw/zinc/99/71/94/689997194.db2.gz QTRPUPLAFCOLMR-CYBMUJFWSA-N 0 3 324.808 2.453 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001035035194 690016021 /nfs/dbraw/zinc/01/60/21/690016021.db2.gz GQLIBYUAMUZGKR-NVXWUHKLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001035036002 690016924 /nfs/dbraw/zinc/01/69/24/690016924.db2.gz UIKIUFKOOTUVAN-NVXWUHKLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2OC)C1 ZINC000877252479 690057027 /nfs/dbraw/zinc/05/70/27/690057027.db2.gz PVQWEDXFCYULRT-UKRRQHHQSA-N 0 3 324.808 2.065 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)n1C)CC2 ZINC001035648008 690141877 /nfs/dbraw/zinc/14/18/77/690141877.db2.gz USPOMACFVMSPJJ-UHFFFAOYSA-N 0 3 301.434 2.448 20 30 DEEDHN Cc1cccc(O)c1CN1CCN(c2cnccc2C#N)CC1 ZINC000877547286 690147842 /nfs/dbraw/zinc/14/78/42/690147842.db2.gz SDPUCJPHUOJLMM-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1conc1C(C)C)CC2 ZINC001035722531 690160811 /nfs/dbraw/zinc/16/08/11/690160811.db2.gz MMXLZHYFVJKAGZ-UHFFFAOYSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cncc(CC)c1)CC2 ZINC001035750471 690167963 /nfs/dbraw/zinc/16/79/63/690167963.db2.gz ODZDGRNPUQENLZ-UHFFFAOYSA-N 0 3 311.429 2.205 20 30 DEEDHN COC[C@@H](NCc1cc(C#N)cnc1Cl)C1CCOCC1 ZINC000877622353 690170434 /nfs/dbraw/zinc/17/04/34/690170434.db2.gz LNECNRIHVLVOQV-CQSZACIVSA-N 0 3 309.797 2.138 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1csc(C)n1)CC2 ZINC001035776239 690173211 /nfs/dbraw/zinc/17/32/11/690173211.db2.gz NLKLZJMTZGTORA-UHFFFAOYSA-N 0 3 303.431 2.013 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)Cc1occc1C)CC2 ZINC001035789251 690176439 /nfs/dbraw/zinc/17/64/39/690176439.db2.gz SNNZXGFWUSWMQN-UHFFFAOYSA-N 0 3 300.402 2.078 20 30 DEEDHN C[C@@H](CCC#N)CN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000877643969 690177669 /nfs/dbraw/zinc/17/76/69/690177669.db2.gz MDTUJXSMRBYPEC-ZDUSSCGKSA-N 0 3 310.405 2.175 20 30 DEEDHN Cc1cccc(O)c1CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000877645510 690177692 /nfs/dbraw/zinc/17/76/92/690177692.db2.gz NRJVPARYHLUROW-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)nc(C)n1)CC2 ZINC001035816700 690184291 /nfs/dbraw/zinc/18/42/91/690184291.db2.gz MSEFWQFJCFPSSA-UHFFFAOYSA-N 0 3 314.433 2.208 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc3nc[nH]c31)CC2 ZINC001035821870 690184974 /nfs/dbraw/zinc/18/49/74/690184974.db2.gz LQTIYEKJVTVIRT-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC3(CN(CC(=C)C)C3)CC2)cn1 ZINC001035839163 690190031 /nfs/dbraw/zinc/19/00/31/690190031.db2.gz KTVBCGIYAHDMOQ-UHFFFAOYSA-N 0 3 309.413 2.177 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccc(C)nc1)CC2 ZINC001035852491 690193448 /nfs/dbraw/zinc/19/34/48/690193448.db2.gz KLFMHWPEOTUKGZ-UHFFFAOYSA-N 0 3 313.445 2.433 20 30 DEEDHN C=CCOc1cccc(CN2CCC(c3nnnn3C)CC2)c1 ZINC000877781878 690225789 /nfs/dbraw/zinc/22/57/89/690225789.db2.gz FIUIQQBBSUVUNY-UHFFFAOYSA-N 0 3 313.405 2.155 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccn(CC)n2)[C@H](C)C1 ZINC001036141069 690273292 /nfs/dbraw/zinc/27/32/92/690273292.db2.gz FRSIHBXCXPYHNV-ZBFHGGJFSA-N 0 3 318.465 2.442 20 30 DEEDHN C#CCCCCC[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000878424579 690403314 /nfs/dbraw/zinc/40/33/14/690403314.db2.gz SUCUAQGJMNLHJN-GFCCVEGCSA-N 0 3 302.382 2.335 20 30 DEEDHN C#CCCCCCN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000878424579 690403315 /nfs/dbraw/zinc/40/33/15/690403315.db2.gz SUCUAQGJMNLHJN-GFCCVEGCSA-N 0 3 302.382 2.335 20 30 DEEDHN C#CCN(C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CSC1 ZINC000878910037 690525691 /nfs/dbraw/zinc/52/56/91/690525691.db2.gz MQLGNJPUTRQAQQ-OAHLLOKOSA-N 0 3 314.454 2.199 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H](C)C(O)[C@H](C)C1)c1ccccc1 ZINC000878936878 690531839 /nfs/dbraw/zinc/53/18/39/690531839.db2.gz YIXUDSBMRGOABI-SPYBWZPUSA-N 0 3 314.429 2.376 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cc(F)ccc1C#N ZINC001037757115 690604032 /nfs/dbraw/zinc/60/40/32/690604032.db2.gz RIWQVLDWUZXGIV-CXAGYDPISA-N 0 3 303.381 2.434 20 30 DEEDHN CNC(=O)NC[C@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000879336257 690622528 /nfs/dbraw/zinc/62/25/28/690622528.db2.gz VEWIQBXVDPWCMR-MRXNPFEDSA-N 0 3 300.406 2.036 20 30 DEEDHN C[C@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)N(C)CCC#N ZINC000879666537 690702184 /nfs/dbraw/zinc/70/21/84/690702184.db2.gz BYZOTNQDXBVIQA-QJPTWQEYSA-N 0 3 303.328 2.234 20 30 DEEDHN C#CCOCCN1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756258 690723331 /nfs/dbraw/zinc/72/33/31/690723331.db2.gz SQFATIHCOOMQLL-LSDHHAIUSA-N 0 3 308.422 2.110 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038269619 690762792 /nfs/dbraw/zinc/76/27/92/690762792.db2.gz QDSSIIRFIIZNLV-CYBMUJFWSA-N 0 3 304.438 2.478 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CCC(=O)OC)C1 ZINC000880036717 690787321 /nfs/dbraw/zinc/78/73/21/690787321.db2.gz DONMYTCAYNQAAT-JKSUJKDBSA-N 0 3 324.465 2.465 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038515678 690848083 /nfs/dbraw/zinc/84/80/83/690848083.db2.gz HRIKNVCKQGEWNX-GFCCVEGCSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001038552098 690855589 /nfs/dbraw/zinc/85/55/89/690855589.db2.gz QUPZZCDXDTXGNC-AWEZNQCLSA-N 0 3 314.389 2.060 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001038816100 690932918 /nfs/dbraw/zinc/93/29/18/690932918.db2.gz CXRLOSJUENJCRH-JTQLQIEISA-N 0 3 316.327 2.199 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001039036143 691000086 /nfs/dbraw/zinc/00/00/86/691000086.db2.gz XSMPURTXTNGBOI-CYBMUJFWSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(=O)C(C)(C)C)C1 ZINC001039195450 691048888 /nfs/dbraw/zinc/04/88/88/691048888.db2.gz ICLMIKYQAOEUCO-HUUCEWRRSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2coc(CC)n2)C1 ZINC001039198526 691050583 /nfs/dbraw/zinc/05/05/83/691050583.db2.gz JWJDBMAJDBQFPC-GDBMZVCRSA-N 0 3 315.417 2.187 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ocnc2C)C1 ZINC001039203613 691052284 /nfs/dbraw/zinc/05/22/84/691052284.db2.gz RBMROXZSJUWCHX-CVEARBPZSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ocnc2CC)C1 ZINC001039234976 691063267 /nfs/dbraw/zinc/06/32/67/691063267.db2.gz UPKKXDORDUIPKR-GOEBONIOSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ocnc2CC)C1 ZINC001039234975 691063330 /nfs/dbraw/zinc/06/33/30/691063330.db2.gz UPKKXDORDUIPKR-GDBMZVCRSA-N 0 3 315.417 2.187 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2nocc2C)C1 ZINC001039247093 691067984 /nfs/dbraw/zinc/06/79/84/691067984.db2.gz URCACNCEELETGH-CVEARBPZSA-N 0 3 315.417 2.323 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2nocc2C)C1 ZINC001039247095 691068161 /nfs/dbraw/zinc/06/81/61/691068161.db2.gz URCACNCEELETGH-HZPDHXFCSA-N 0 3 315.417 2.323 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cn1 ZINC001039395319 691096717 /nfs/dbraw/zinc/09/67/17/691096717.db2.gz HRINBVQRJQROHP-SJORKVTESA-N 0 3 317.408 2.405 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCCC1 ZINC001039397754 691097601 /nfs/dbraw/zinc/09/76/01/691097601.db2.gz YDQNRADOTXMMJL-SJORKVTESA-N 0 3 318.461 2.424 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)n1 ZINC001039423148 691102936 /nfs/dbraw/zinc/10/29/36/691102936.db2.gz DOVSHDNNEZCTRZ-KGLIPLIRSA-N 0 3 303.431 2.154 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001039421607 691103052 /nfs/dbraw/zinc/10/30/52/691103052.db2.gz KEKJBCYVJCQJLP-NEPJUHHUSA-N 0 3 307.419 2.104 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)N(C)C ZINC001039438350 691106370 /nfs/dbraw/zinc/10/63/70/691106370.db2.gz QQDIMTPMHMKMBS-ILXRZTDVSA-N 0 3 313.873 2.144 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCCC1 ZINC001039463983 691112130 /nfs/dbraw/zinc/11/21/30/691112130.db2.gz NYKCCRNMDDHKKW-FGTMMUONSA-N 0 3 318.461 2.280 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(CC)n1 ZINC001039473230 691114678 /nfs/dbraw/zinc/11/46/78/691114678.db2.gz BYTGNRYOZWASJG-CABCVRRESA-N 0 3 319.474 2.499 20 30 DEEDHN CN1CCCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 ZINC000881743339 691154960 /nfs/dbraw/zinc/15/49/60/691154960.db2.gz PVODYDSKRQFIAF-UHFFFAOYSA-N 0 3 309.373 2.282 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)cn1 ZINC001039979082 691172591 /nfs/dbraw/zinc/17/25/91/691172591.db2.gz KAQRBVGTMLJQJZ-HDICACEKSA-N 0 3 311.429 2.398 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3csnc3C)C2)C1 ZINC001040159337 691206377 /nfs/dbraw/zinc/20/63/77/691206377.db2.gz ZDCVPZZHBSEQDZ-KRWDZBQOSA-N 0 3 317.458 2.403 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cc(OC)ns3)C2)C1 ZINC001040211477 691214538 /nfs/dbraw/zinc/21/45/38/691214538.db2.gz VLXKCUDXAYGJEM-INIZCTEOSA-N 0 3 321.446 2.266 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ncccc3CC)C2)C1 ZINC001040276639 691223846 /nfs/dbraw/zinc/22/38/46/691223846.db2.gz OJYKEUBPEUZLNF-LJQANCHMSA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC001040311974 691228442 /nfs/dbraw/zinc/22/84/42/691228442.db2.gz XHVKRIRQGYKVHH-JENIJYKNSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(c4cccnc4)CC3)C2)C1 ZINC001040346633 691233064 /nfs/dbraw/zinc/23/30/64/691233064.db2.gz DMDQGPTVIBXGIB-LJQANCHMSA-N 0 3 323.440 2.061 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@]3(C)CCCOC3)C2)C1 ZINC001040476056 691253270 /nfs/dbraw/zinc/25/32/70/691253270.db2.gz UBQIXISLPGGJSC-RBUKOAKNSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cccc3)C2)C1 ZINC001040500942 691257536 /nfs/dbraw/zinc/25/75/36/691257536.db2.gz SLNGMCFXVQHOGM-HKUYNNGSSA-N 0 3 313.445 2.387 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ncccc3OC)C2)C1 ZINC001040504677 691258567 /nfs/dbraw/zinc/25/85/67/691258567.db2.gz BZDYFRQVIOMSRG-SFHVURJKSA-N 0 3 315.417 2.204 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](OC)C3CCCC3)C2)C1 ZINC001040509039 691259342 /nfs/dbraw/zinc/25/93/42/691259342.db2.gz DVPDEBXCLFNLDU-MJGOQNOKSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)n(C)c3C)C2)C1 ZINC001040522948 691261071 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C[C@H](CNCc1c(F)cccc1Cl)CNC(=O)[C@@H](C)C#N ZINC001378545283 1152370627 /nfs/dbraw/zinc/37/06/27/1152370627.db2.gz AUVLBRRGNGQXIX-MNOVXSKESA-N 0 3 311.788 2.481 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001381201427 1152948841 /nfs/dbraw/zinc/94/88/41/1152948841.db2.gz OGRRMNYMBSSKPO-GUTXKFCHSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001381239490 1152964017 /nfs/dbraw/zinc/96/40/17/1152964017.db2.gz PKRUWOWWARICOM-JTQLQIEISA-N 0 3 323.780 2.384 20 30 DEEDHN C=C(Cl)CN[C@H](C)CNC(=O)C[C@H](C)n1ccnc1CC ZINC001402897552 1162523091 /nfs/dbraw/zinc/52/30/91/1162523091.db2.gz XFBYQKGCVMDGBS-OLZOCXBDSA-N 0 3 312.845 2.243 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CNC(=O)C[C@H](C)n1ccnc1CC ZINC001402897566 1162523467 /nfs/dbraw/zinc/52/34/67/1162523467.db2.gz XFBYQKGCVMDGBS-STQMWFEESA-N 0 3 312.845 2.243 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001381963003 1153291412 /nfs/dbraw/zinc/29/14/12/1153291412.db2.gz WUIZQMVFUIKELS-HAQNSBGRSA-N 0 3 323.824 2.404 20 30 DEEDHN CC1(C)OC[C@H](CCN2CCc3c(C#N)c(N)sc3C2)O1 ZINC001363338383 1153344042 /nfs/dbraw/zinc/34/40/42/1153344042.db2.gz ZCTWIGCIEHJXIH-JTQLQIEISA-N 0 3 307.419 2.102 20 30 DEEDHN CCc1nocc1CNC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001382516468 1153460243 /nfs/dbraw/zinc/46/02/43/1153460243.db2.gz BWHJRAZWHUDYBT-BXUZGUMPSA-N 0 3 306.410 2.017 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001402945983 1162560529 /nfs/dbraw/zinc/56/05/29/1162560529.db2.gz YIZSPXHZTXBVBY-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)NCc1ccccc1F ZINC001402962433 1162578343 /nfs/dbraw/zinc/57/83/43/1162578343.db2.gz HKQITGIWDPRJEJ-NWDGAFQWSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001388723743 1155074417 /nfs/dbraw/zinc/07/44/17/1155074417.db2.gz HTESVJZNGZMFJF-SHTZXODSSA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)SC)C1 ZINC001389944751 1155478847 /nfs/dbraw/zinc/47/88/47/1155478847.db2.gz IMWRBCHQTBREMG-MXWKQRLJSA-N 0 3 321.284 2.273 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001389968043 1155485698 /nfs/dbraw/zinc/48/56/98/1155485698.db2.gz TUVZOZBRSRVUFA-AEGPPILISA-N 0 3 300.406 2.101 20 30 DEEDHN C[C@@H](CNC(=O)C1(C)CCC1)NCc1ccc(C#N)c(F)c1 ZINC001390454877 1155728260 /nfs/dbraw/zinc/72/82/60/1155728260.db2.gz CMSGWRMJNRUDJG-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](CNC(=O)CC(C)(F)F)NCc1ccc(F)c(C#N)c1 ZINC001390465877 1155736520 /nfs/dbraw/zinc/73/65/20/1155736520.db2.gz GXTYLYZJKSLMHT-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN C[C@H](CNC(=O)[C@H](C)n1cccc1)NCc1ccc(C#N)s1 ZINC001371151479 1155739843 /nfs/dbraw/zinc/73/98/43/1155739843.db2.gz SZRJDFULRKEQOP-OLZOCXBDSA-N 0 3 316.430 2.277 20 30 DEEDHN CC(C)OCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001371498011 1155863289 /nfs/dbraw/zinc/86/32/89/1155863289.db2.gz WXWXBUZAHBGNIW-ZDUSSCGKSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001391295590 1156319070 /nfs/dbraw/zinc/31/90/70/1156319070.db2.gz MMAZOPLDHBRADU-OLZOCXBDSA-N 0 3 316.430 2.108 20 30 DEEDHN CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001391640036 1156631170 /nfs/dbraw/zinc/63/11/70/1156631170.db2.gz SQNHMOVHDPIYBS-JKSUJKDBSA-N 0 3 315.417 2.148 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001373880608 1157430482 /nfs/dbraw/zinc/43/04/82/1157430482.db2.gz YVRLDEYZUOTWMC-APPDUMDISA-N 0 3 321.371 2.499 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cncnc2)CCCC[C@H]1C ZINC001373894594 1157442435 /nfs/dbraw/zinc/44/24/35/1157442435.db2.gz GNKLQINSRJCGFF-WBMJQRKESA-N 0 3 322.840 2.497 20 30 DEEDHN Cc1ccncc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001392901451 1157530530 /nfs/dbraw/zinc/53/05/30/1157530530.db2.gz ZBVFUQUFXAMUIO-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001403413590 1162875628 /nfs/dbraw/zinc/87/56/28/1162875628.db2.gz IMZCMOYVFUXUQI-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN CO[C@H](C(=O)NCC[C@@H](C)NCc1ccccc1C#N)C(C)C ZINC001403435442 1162881315 /nfs/dbraw/zinc/88/13/15/1162881315.db2.gz RXXGSDHVIKJWRJ-PBHICJAKSA-N 0 3 317.433 2.214 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001374736543 1157991891 /nfs/dbraw/zinc/99/18/91/1157991891.db2.gz FIFZGQIEYKRIIF-WDEREUQCSA-N 0 3 309.797 2.103 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@@H](C)CCNC(=O)[C@@H](C)C#N ZINC001393799297 1157994135 /nfs/dbraw/zinc/99/41/35/1157994135.db2.gz XHLMRDSNIIOHTK-RYUDHWBXSA-N 0 3 306.410 2.251 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C ZINC001393877199 1158038595 /nfs/dbraw/zinc/03/85/95/1158038595.db2.gz NIXBGINTHKLJHY-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001375030281 1158220629 /nfs/dbraw/zinc/22/06/29/1158220629.db2.gz FLBWUHNNHBZOSE-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN Cc1nc(CN[C@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)c(C)o1 ZINC001394175131 1158348624 /nfs/dbraw/zinc/34/86/24/1158348624.db2.gz WRLYJODEQOQSGM-IUODEOHRSA-N 0 3 320.437 2.414 20 30 DEEDHN Cc1cncc(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)c1 ZINC001375405328 1158577913 /nfs/dbraw/zinc/57/79/13/1158577913.db2.gz LNIDRKATUFCZDG-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN Cc1ccoc1CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001375479196 1158741058 /nfs/dbraw/zinc/74/10/58/1158741058.db2.gz BIWLHOOQYLCFOE-UHFFFAOYSA-N 0 3 323.396 2.441 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@@H]1CC1(F)F)NCc1ccc(C#N)s1 ZINC001403565507 1163006222 /nfs/dbraw/zinc/00/62/22/1163006222.db2.gz XEILVBIWTSESSY-CABZTGNLSA-N 0 3 313.373 2.211 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)CCNCc1cnc(Cl)s1 ZINC001568629888 1159469092 /nfs/dbraw/zinc/46/90/92/1159469092.db2.gz UGNQEARQTFEFLF-NSHDSACASA-N 0 3 313.854 2.440 20 30 DEEDHN CCC(=O)NC[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001376516742 1159496998 /nfs/dbraw/zinc/49/69/98/1159496998.db2.gz PPZGWFATXPHXOR-MRXNPFEDSA-N 0 3 315.417 2.327 20 30 DEEDHN CCO[C@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001376723015 1159724200 /nfs/dbraw/zinc/72/42/00/1159724200.db2.gz XTLFAWXRLFJWDU-DOMZBBRYSA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001376879588 1159830852 /nfs/dbraw/zinc/83/08/52/1159830852.db2.gz KWQJEVIHTADRDR-UKRRQHHQSA-N 0 3 303.381 2.456 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cn(C)nc1C ZINC001398185563 1160810335 /nfs/dbraw/zinc/81/03/35/1160810335.db2.gz GHFFBDWSGWEYGK-DZGCQCFKSA-N 0 3 324.856 2.454 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)CSC)Cc1cccc(C#N)c1 ZINC001399683627 1161520523 /nfs/dbraw/zinc/52/05/23/1161520523.db2.gz AOEMMPIQHXJNTE-AWEZNQCLSA-N 0 3 319.474 2.495 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](C)CNCc1cc(F)ccc1C#N ZINC001401123117 1161877989 /nfs/dbraw/zinc/87/79/89/1161877989.db2.gz JMPRXJXFLXZGIO-ABAIWWIYSA-N 0 3 309.360 2.287 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(OC)nc1)C(C)C ZINC001401328484 1161932970 /nfs/dbraw/zinc/93/29/70/1161932970.db2.gz AKBZRWAXCLMDAG-ZDUSSCGKSA-N 0 3 311.813 2.187 20 30 DEEDHN CC[C@H](SC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001401617034 1162047164 /nfs/dbraw/zinc/04/71/64/1162047164.db2.gz VHGVNPBPIXFYQS-ABAIWWIYSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC1(F)F ZINC001401758731 1162113205 /nfs/dbraw/zinc/11/32/05/1162113205.db2.gz MDBQDVNGIHCTQU-FZMZJTMJSA-N 0 3 307.344 2.150 20 30 DEEDHN CC(C)C(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001401826428 1162146781 /nfs/dbraw/zinc/14/67/81/1162146781.db2.gz IXPRYNNJUYPQKD-MRXNPFEDSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]nc1C ZINC001402042842 1162226253 /nfs/dbraw/zinc/22/62/53/1162226253.db2.gz YCTDZSKKXBGZKE-OCCSQVGLSA-N 0 3 310.829 2.443 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](CC)OC)NCc1ccc(C#N)c(F)c1 ZINC001405214191 1164016207 /nfs/dbraw/zinc/01/62/07/1164016207.db2.gz PPROVKSLAIALBC-GDBMZVCRSA-N 0 3 321.396 2.107 20 30 DEEDHN CC(C)n1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001405507779 1164125241 /nfs/dbraw/zinc/12/52/41/1164125241.db2.gz ROUWDXHTYXDGHB-KKUMJFAQSA-N 0 3 317.437 2.141 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)C(C)(C)F ZINC001405627478 1164166398 /nfs/dbraw/zinc/16/63/98/1164166398.db2.gz JRKGAJRFQKATOK-LLVKDONJSA-N 0 3 309.360 2.287 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccccc1N(C)C ZINC001492950212 1164517169 /nfs/dbraw/zinc/51/71/69/1164517169.db2.gz KLYDOBCRHPBMOO-UHFFFAOYSA-N 0 3 313.445 2.104 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(CC3CCCCC3)C2)O1 ZINC001407957851 1165410806 /nfs/dbraw/zinc/41/08/06/1165410806.db2.gz AOFZFHNFBRFRNS-GDBMZVCRSA-N 0 3 319.449 2.076 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@H](C)C2CC2)CCOCC1 ZINC001408036729 1165441880 /nfs/dbraw/zinc/44/18/80/1165441880.db2.gz CYWZLLTXMJSAED-LBPRGKRZSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001418051206 1167383258 /nfs/dbraw/zinc/38/32/58/1167383258.db2.gz MPARKQDZBAXZLH-OASPWFOLSA-N 0 3 309.772 2.376 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001418051209 1167383785 /nfs/dbraw/zinc/38/37/85/1167383785.db2.gz MPARKQDZBAXZLH-XDTLVQLUSA-N 0 3 309.772 2.376 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2c(C)n[nH]c2C)CCCC1 ZINC001419313104 1168391598 /nfs/dbraw/zinc/39/15/98/1168391598.db2.gz CFCYFSGYMJGLFW-UHFFFAOYSA-N 0 3 324.856 2.340 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001419402460 1168447795 /nfs/dbraw/zinc/44/77/95/1168447795.db2.gz SGNSAOSCOTYSPZ-QEJZJMRPSA-N 0 3 324.384 2.238 20 30 DEEDHN Cc1nsc(C)c1CN1CCC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001419535044 1168580521 /nfs/dbraw/zinc/58/05/21/1168580521.db2.gz GFYCCUNMGKPZCK-RISCZKNCSA-N 0 3 320.462 2.248 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cn2ccccc2n1)C(C)C ZINC001419935588 1168957367 /nfs/dbraw/zinc/95/73/67/1168957367.db2.gz FXXVOFSBPNFBAL-ZDUSSCGKSA-N 0 3 320.824 2.431 20 30 DEEDHN CS[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001420918440 1171347365 /nfs/dbraw/zinc/34/73/65/1171347365.db2.gz LFNFVQRNUFSOFY-NSHDSACASA-N 0 3 321.421 2.187 20 30 DEEDHN CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCC=C(Cl)Cl ZINC001421398299 1171771083 /nfs/dbraw/zinc/77/10/83/1171771083.db2.gz YWBRPLQPMWJGKZ-SNVBAGLBSA-N 0 3 315.204 2.303 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@@H]1C[C@H]1C)C(C)C ZINC001422128602 1172326758 /nfs/dbraw/zinc/32/67/58/1172326758.db2.gz RYDWSWUYUNXGSA-YUSALJHKSA-N 0 3 303.244 2.281 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001422988336 1173001879 /nfs/dbraw/zinc/00/18/79/1173001879.db2.gz YVXRWECLQSBVAF-XHDPSFHLSA-N 0 3 324.856 2.167 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@H](C)CN(C)C(=O)[C@@H](C)C#N ZINC001423046568 1173041460 /nfs/dbraw/zinc/04/14/60/1173041460.db2.gz KNFRRJPCZMHCNY-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NCc1ccc(F)c(C#N)c1 ZINC001423135083 1173103290 /nfs/dbraw/zinc/10/32/90/1173103290.db2.gz ZMASYGDOCCBAKR-HUBLWGQQSA-N 0 3 303.381 2.290 20 30 DEEDHN CC(=O)CCCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001423170331 1173139296 /nfs/dbraw/zinc/13/92/96/1173139296.db2.gz FJHGSVSEXKLCMK-UHFFFAOYSA-N 0 3 313.401 2.056 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CCCF ZINC001423329625 1173248613 /nfs/dbraw/zinc/24/86/13/1173248613.db2.gz MNWUZRCNRQSPHV-NEPJUHHUSA-N 0 3 309.410 2.448 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001423345714 1173272082 /nfs/dbraw/zinc/27/20/82/1173272082.db2.gz SBOLITCHCZDTIL-BJZITVGISA-N 0 3 322.412 2.331 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001423504288 1173376968 /nfs/dbraw/zinc/37/69/68/1173376968.db2.gz JAAYRANKKAXSQO-AWEZNQCLSA-N 0 3 310.401 2.189 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001423681208 1173487184 /nfs/dbraw/zinc/48/71/84/1173487184.db2.gz JXXUQQSRMXEWRM-WCQYABFASA-N 0 3 305.344 2.317 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](CNC(=O)[C@H](C)C#N)CC2)co1 ZINC001423976348 1173598297 /nfs/dbraw/zinc/59/82/97/1173598297.db2.gz CEVAKVKYGCULHC-BPLDGKMQSA-N 0 3 318.421 2.155 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001424698810 1173875984 /nfs/dbraw/zinc/87/59/84/1173875984.db2.gz HMACRPPJQRMDSS-UKRRQHHQSA-N 0 3 313.873 2.004 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)F ZINC001424758842 1173906912 /nfs/dbraw/zinc/90/69/12/1173906912.db2.gz PTPXOCMJJABJMA-RYUDHWBXSA-N 0 3 321.396 2.298 20 30 DEEDHN Cc1cccnc1CN1CCCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001425195214 1174225592 /nfs/dbraw/zinc/22/55/92/1174225592.db2.gz PLBGKCJGPIQCAA-JKSUJKDBSA-N 0 3 314.433 2.411 20 30 DEEDHN CCCc1nc(C)c(CNC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001425396252 1174307155 /nfs/dbraw/zinc/30/71/55/1174307155.db2.gz VFURNSKGFUJSIU-UBHSHLNASA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)CCc2cnc[nH]2)CC1 ZINC001426182129 1174634066 /nfs/dbraw/zinc/63/40/66/1174634066.db2.gz JTONAWKAGVMKKU-CYBMUJFWSA-N 0 3 324.856 2.312 20 30 DEEDHN Cc1ncc(CN2CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001426181527 1174634229 /nfs/dbraw/zinc/63/42/29/1174634229.db2.gz NCPONDSOSUQJGC-RYUDHWBXSA-N 0 3 320.462 2.328 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H](C)n2cccn2)C1 ZINC001426224703 1174659374 /nfs/dbraw/zinc/65/93/74/1174659374.db2.gz SECXGYBUQPMSBL-IYXRBSQSSA-N 0 3 310.829 2.166 20 30 DEEDHN Cc1ccncc1CN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001436746052 1179215238 /nfs/dbraw/zinc/21/52/38/1179215238.db2.gz FZMACJARNINCPY-HOCLYGCPSA-N 0 3 312.417 2.020 20 30 DEEDHN CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001436835492 1179271945 /nfs/dbraw/zinc/27/19/45/1179271945.db2.gz FYYDDWCJOSDCEQ-HIFRSBDPSA-N 0 3 320.412 2.418 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COc2ccccc2OC)C1 ZINC001436929517 1179306330 /nfs/dbraw/zinc/30/63/30/1179306330.db2.gz WEWPHYRWSDKNQZ-JOCQHMNTSA-N 0 3 324.808 2.063 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](CNC(=O)C(F)F)C2)c1 ZINC001436983558 1179330071 /nfs/dbraw/zinc/33/00/71/1179330071.db2.gz WVLLAENHJJZFRD-CQSZACIVSA-N 0 3 307.344 2.152 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1nc(C)n2ccccc12 ZINC001437397866 1179783368 /nfs/dbraw/zinc/78/33/68/1179783368.db2.gz RGJVQXOTXXMDRW-GFCCVEGCSA-N 0 3 320.824 2.493 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)Cc1ccoc1 ZINC001438483185 1180483852 /nfs/dbraw/zinc/48/38/52/1180483852.db2.gz VAUFAJOTOJRJBL-CQSZACIVSA-N 0 3 311.385 2.236 20 30 DEEDHN Cc1ncsc1CNC[C@@H](CC(C)C)NC(=O)[C@@H](C)C#N ZINC001438721732 1180791678 /nfs/dbraw/zinc/79/16/78/1180791678.db2.gz FSSGHFWNJYSOIS-WCQYABFASA-N 0 3 308.451 2.232 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccnc1OC)C(C)C ZINC001438830975 1180824411 /nfs/dbraw/zinc/82/44/11/1180824411.db2.gz PWXRMYUNJBEYFL-ZDUSSCGKSA-N 0 3 311.813 2.187 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001439097461 1180883189 /nfs/dbraw/zinc/88/31/89/1180883189.db2.gz APJAKOTVLSBRPM-NWDGAFQWSA-N 0 3 323.437 2.291 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)C[C@@H](C)NC(=O)[C@H](C)C#N)c1 ZINC001439308994 1181009555 /nfs/dbraw/zinc/00/95/55/1181009555.db2.gz FIZUXAPYYIJSLP-HZPDHXFCSA-N 0 3 317.433 2.278 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001440500901 1181565421 /nfs/dbraw/zinc/56/54/21/1181565421.db2.gz YEGJAWZNXCKHHC-KGLIPLIRSA-N 0 3 315.889 2.296 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C2CCCCC2)CC1 ZINC001440632623 1181619367 /nfs/dbraw/zinc/61/93/67/1181619367.db2.gz WRABCCMOJUYVGK-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN CC[C@@H](F)C(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC001440755938 1181675683 /nfs/dbraw/zinc/67/56/83/1181675683.db2.gz JYWYLBIESFWYDY-PESDSKBTSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@@H](CNC(=O)c1ccncc1)N(C)Cc1ccc(C#N)cc1 ZINC001440893507 1181746639 /nfs/dbraw/zinc/74/66/39/1181746639.db2.gz CDQJYWNGJMRCJT-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cnn(C)c2)CCCCC1 ZINC001441111545 1181852470 /nfs/dbraw/zinc/85/24/70/1181852470.db2.gz WLUPOOKCYISPCC-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001441234492 1181907377 /nfs/dbraw/zinc/90/73/77/1181907377.db2.gz VPUSVHBTMMWHHD-GDBMZVCRSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001441568990 1182063553 /nfs/dbraw/zinc/06/35/53/1182063553.db2.gz RUDCVYRTIKWKPX-ZFWWWQNUSA-N 0 3 303.381 2.314 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NCc1ccc(C#N)c(F)c1 ZINC001441589594 1182077718 /nfs/dbraw/zinc/07/77/18/1182077718.db2.gz OHIPPZSKJLZYEU-ZOWXZIJZSA-N 0 3 303.381 2.290 20 30 DEEDHN C[C@@H](CNC(=O)C[C@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001441800351 1182169809 /nfs/dbraw/zinc/16/98/09/1182169809.db2.gz ZTAUCZWRNIXOMS-QWHCGFSZSA-N 0 3 321.446 2.173 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(F)c[nH]1)NCc1ccc(F)c(C#N)c1 ZINC001441937208 1182257882 /nfs/dbraw/zinc/25/78/82/1182257882.db2.gz TUTVALGUJVXVJB-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN CCN(CCNC(=O)c1cccn1C)Cc1cccc(C#N)c1 ZINC001442633061 1182588910 /nfs/dbraw/zinc/58/89/10/1182588910.db2.gz QHHZLVQSEIUDKH-UHFFFAOYSA-N 0 3 310.401 2.149 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCOC1CCCCCC1 ZINC001442653907 1182612003 /nfs/dbraw/zinc/61/20/03/1182612003.db2.gz XQETXNZOKWTCFB-OAHLLOKOSA-N 0 3 309.454 2.324 20 30 DEEDHN CC[C@@H](C[N-]C(=O)C(C)(F)F)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001443895285 1183191119 /nfs/dbraw/zinc/19/11/19/1183191119.db2.gz UQTOPIDRHNHZSG-LBPRGKRZSA-N 0 3 313.323 2.337 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)COCC)CCCC[C@@H]1C ZINC001444155308 1183293096 /nfs/dbraw/zinc/29/30/96/1183293096.db2.gz HNICSFSXZXIRFL-WFASDCNBSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2ncc[nH]2)CCCC[C@@H]1C ZINC001444157240 1183303065 /nfs/dbraw/zinc/30/30/65/1183303065.db2.gz QWJLLKCOQUFTDK-LRDDRELGSA-N 0 3 324.856 2.359 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)CC1CC1 ZINC001444552327 1183447670 /nfs/dbraw/zinc/44/76/70/1183447670.db2.gz IHTWKYVCMSHLSV-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cccnc1 ZINC001445325767 1183835608 /nfs/dbraw/zinc/83/56/08/1183835608.db2.gz 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ZINC001447989556 1185004778 /nfs/dbraw/zinc/00/47/78/1185004778.db2.gz QRIJXPKCHHIQTO-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001448511177 1185266455 /nfs/dbraw/zinc/26/64/55/1185266455.db2.gz OOIIEVVXOSJZMX-HAQNSBGRSA-N 0 3 322.840 2.139 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370755733 1149832780 /nfs/dbraw/zinc/83/27/80/1149832780.db2.gz UEQMAYWCSVMURH-CABCVRRESA-N 0 3 315.889 2.153 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC001121954368 782398625 /nfs/dbraw/zinc/39/86/25/782398625.db2.gz ADKCXPAZINOIJF-HUUCEWRRSA-N 0 3 311.470 2.190 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C[C@H](N[C@@H](C)CC)c2ccco2)C1=O ZINC001332394210 1149856416 /nfs/dbraw/zinc/85/64/16/1149856416.db2.gz SMZCILLSVJDYGK-AVGNSLFASA-N 0 3 305.378 2.205 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCOC(C)C)C[C@@H](C)O2 ZINC001111535132 782748053 /nfs/dbraw/zinc/74/80/53/782748053.db2.gz JCYZXIFTCZXVFV-MRXNPFEDSA-N 0 3 324.465 2.069 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CC2CCOCC2)CC(C)(C)C1 ZINC001089341555 782866391 /nfs/dbraw/zinc/86/63/91/782866391.db2.gz MUEXGHDOSZSNOZ-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(F)cn2)CC(C)(C)C1 ZINC001089421305 783087720 /nfs/dbraw/zinc/08/77/20/783087720.db2.gz SNVKVNQUQAIWEV-MRXNPFEDSA-N 0 3 317.408 2.003 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1O[C@H](C)C3)C2 ZINC001095778206 783092552 /nfs/dbraw/zinc/09/25/52/783092552.db2.gz OJNOEMIURYGIFC-WCZJQEMASA-N 0 3 324.424 2.368 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nccc3cccnc32)C[C@H]1C ZINC000947403878 783127873 /nfs/dbraw/zinc/12/78/73/783127873.db2.gz IBTUYAVRIVJDJO-UKRRQHHQSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C ZINC000947449804 783139794 /nfs/dbraw/zinc/13/97/94/783139794.db2.gz KGOIHVFYEKMAQJ-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)nn2CC)C[C@@H]1C ZINC000947493246 783152680 /nfs/dbraw/zinc/15/26/80/783152680.db2.gz RDUNETKBRRIVEU-GJZGRUSLSA-N 0 3 316.449 2.242 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C[C@@H]1C ZINC000947538111 783163243 /nfs/dbraw/zinc/16/32/43/783163243.db2.gz VCLOXORSLKPLOX-XJKSGUPXSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000947536751 783164059 /nfs/dbraw/zinc/16/40/59/783164059.db2.gz IOOCVSZSUGGFEC-BEFAXECRSA-N 0 3 321.424 2.380 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cccn2C)c(F)c1 ZINC001333460911 1150053509 /nfs/dbraw/zinc/05/35/09/1150053509.db2.gz FELXRHHMGYTRSK-UHFFFAOYSA-N 0 3 301.365 2.370 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc(OCC)c2)C[C@@H]1C ZINC000947709499 783209655 /nfs/dbraw/zinc/20/96/55/783209655.db2.gz CXTPLCRBMDIFSR-HOCLYGCPSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(COC)c2)C[C@@H]1C ZINC000947710716 783210307 /nfs/dbraw/zinc/21/03/07/783210307.db2.gz OXUAEFRCUIDUHE-BBRMVZONSA-N 0 3 318.392 2.188 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C)c2CC)C[C@H]1C ZINC000947723459 783214046 /nfs/dbraw/zinc/21/40/46/783214046.db2.gz WEPGBBULXDPGJC-CABCVRRESA-N 0 3 301.434 2.194 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)c3ccsc3)C2)C1 ZINC001072975161 790348286 /nfs/dbraw/zinc/34/82/86/790348286.db2.gz ZFZXOQLRKOYQDM-CQSZACIVSA-N 0 3 302.443 2.409 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cccc2Cl)[C@@H](O)C1 ZINC001090550056 790349380 /nfs/dbraw/zinc/34/93/80/790349380.db2.gz MCNMBDBIHLSOSQ-GJZGRUSLSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(F)c(F)c(F)c3)C2)C1 ZINC001073005845 790372997 /nfs/dbraw/zinc/37/29/97/790372997.db2.gz HHCNJUPPWLGXJT-UHFFFAOYSA-N 0 3 310.319 2.438 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCOc4ccccc43)C2)C1 ZINC001073062759 790427120 /nfs/dbraw/zinc/42/71/20/790427120.db2.gz QFLMNHVTWOGYDM-QGZVFWFLSA-N 0 3 324.424 2.110 20 30 DEEDHN CC(C)(C)OC(=O)N1CCO[C@@H](CCN2CCC(C#N)CC2)C1 ZINC001209055874 776658346 /nfs/dbraw/zinc/65/83/46/776658346.db2.gz 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/nfs/dbraw/zinc/48/71/44/790487144.db2.gz GFOFBTZHONSITJ-LSDHHAIUSA-N 0 3 308.809 2.081 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CC[C@H]3CC(C)(C)CO3)C2)C1 ZINC001073150210 790489573 /nfs/dbraw/zinc/48/95/73/790489573.db2.gz OMWBTAMNPNEXJC-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cnoc2CC)CC1 ZINC001167356926 776947295 /nfs/dbraw/zinc/94/72/95/776947295.db2.gz RUTIXQYEHDDALJ-UHFFFAOYSA-N 0 3 311.813 2.479 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCNCC(=O)Nc1ccccc1 ZINC001167359505 776949647 /nfs/dbraw/zinc/94/96/47/776949647.db2.gz FISGFIGQQBVYDK-UHFFFAOYSA-N 0 3 317.433 2.323 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1C ZINC001104319087 777042087 /nfs/dbraw/zinc/04/20/87/777042087.db2.gz BJSJZRMZFHEYMP-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCc2ncccn2)CC1 ZINC001167494855 777226396 /nfs/dbraw/zinc/22/63/96/777226396.db2.gz FKEQXKQTWKNZDW-UHFFFAOYSA-N 0 3 322.840 2.038 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1c1ccccc1 ZINC001211535980 777271206 /nfs/dbraw/zinc/27/12/06/777271206.db2.gz SADRKSMEFKEQKO-DLBZAZTESA-N 0 3 316.470 2.345 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@@H](O)C1 ZINC001090778380 790524363 /nfs/dbraw/zinc/52/43/63/790524363.db2.gz WLLHODSIZLYNBQ-IRXDYDNUSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CO[C@H]1CCCC[C@@H]1C ZINC001167516075 777286880 /nfs/dbraw/zinc/28/68/80/777286880.db2.gz XHAJDHUUIDUUJS-JSGCOSHPSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)COC)CC1 ZINC001167566063 777330695 /nfs/dbraw/zinc/33/06/95/777330695.db2.gz CEGWRQCHMDAVIG-GFCCVEGCSA-N 0 3 302.846 2.288 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1c1ccccc1 ZINC001211557340 777394084 /nfs/dbraw/zinc/39/40/84/777394084.db2.gz MUGYFXZVGMQAQF-BHYGNILZSA-N 0 3 316.470 2.203 20 30 DEEDHN C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001149169038 777535022 /nfs/dbraw/zinc/53/50/22/777535022.db2.gz YMHMHBCMVZKSSQ-HNNXBMFYSA-N 0 3 318.417 2.179 20 30 DEEDHN C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001149169038 777535026 /nfs/dbraw/zinc/53/50/26/777535026.db2.gz YMHMHBCMVZKSSQ-HNNXBMFYSA-N 0 3 318.417 2.179 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)s2)oc1C ZINC001125700916 777558574 /nfs/dbraw/zinc/55/85/74/777558574.db2.gz DOQRSBOHDJZBSK-UHFFFAOYSA-N 0 3 303.387 2.349 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccncc3)C(C)(C)[C@@H]21 ZINC001087265887 777661960 /nfs/dbraw/zinc/66/19/60/777661960.db2.gz CBZKINUJBHYCBY-BRWVUGGUSA-N 0 3 311.429 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccncc3F)C(C)(C)[C@@H]21 ZINC001087278461 777701837 /nfs/dbraw/zinc/70/18/37/777701837.db2.gz IDLUUGKKKOQNPI-FVQBIDKESA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccoc3)C(C)(C)[C@@H]21 ZINC001087283235 777720456 /nfs/dbraw/zinc/72/04/56/777720456.db2.gz MDXXNTOLDXFYMA-DJIMGWMZSA-N 0 3 300.402 2.061 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3onc(C)c3C)C(C)(C)[C@H]21 ZINC001087292410 777739253 /nfs/dbraw/zinc/73/92/53/777739253.db2.gz KYLMTBNNRMZVIQ-KBMXLJTQSA-N 0 3 315.417 2.143 20 30 DEEDHN C=CCC[C@H](C)NCc1cn(C2CN(C(=O)C=C(C)C)C2)nn1 ZINC001105142775 778369936 /nfs/dbraw/zinc/36/99/36/778369936.db2.gz VPCGBJOKPSZSJK-AWEZNQCLSA-N 0 3 317.437 2.072 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCCC#CC)C[C@H]1c1ccccc1 ZINC001211655528 778414161 /nfs/dbraw/zinc/41/41/61/778414161.db2.gz MDBTZGNXNWXGST-RBUKOAKNSA-N 0 3 308.425 2.397 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](n2cc(CNC[C@H](C)CC)nn2)C1 ZINC001098632223 778639575 /nfs/dbraw/zinc/63/95/75/778639575.db2.gz AIJKCVTYBQBFMH-GDBMZVCRSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc4oc(C)nc43)C2)C1 ZINC001073471872 790675416 /nfs/dbraw/zinc/67/54/16/790675416.db2.gz UDQWIZZKARIPQT-UHFFFAOYSA-N 0 3 311.385 2.470 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](OCC)C(C)C)C[C@]2(C)C1 ZINC001101267710 779076717 /nfs/dbraw/zinc/07/67/17/779076717.db2.gz PQOMRVYPSLPBQK-LMMKCTJWSA-N 0 3 320.477 2.241 20 30 DEEDHN CC1(C(=O)N[C@H]2C[C@H](CNCc3cc(C#N)ccc3F)C2)CC1 ZINC000983717127 779159252 /nfs/dbraw/zinc/15/92/52/779159252.db2.gz WNPJHZFXQZUAQX-CTYIDZIISA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CCF)c2)[C@H]1CC ZINC001087634589 779387586 /nfs/dbraw/zinc/38/75/86/779387586.db2.gz ITAGXGFMPIDKDY-LSDHHAIUSA-N 0 3 308.401 2.011 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncc3ccccn32)[C@H]1CC ZINC001087655967 779396910 /nfs/dbraw/zinc/39/69/10/779396910.db2.gz DUVCEWKBWKCLNJ-JKSUJKDBSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001073505727 790702394 /nfs/dbraw/zinc/70/23/94/790702394.db2.gz GARMFWANTNKTCL-MRXNPFEDSA-N 0 3 306.381 2.223 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)[C@H]1CC ZINC001087764288 779442844 /nfs/dbraw/zinc/44/28/44/779442844.db2.gz JTNSSENBSYDNFZ-LSDHHAIUSA-N 0 3 318.465 2.486 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C(F)F)C[C@@H]3C2)cc1 ZINC001087858407 779492541 /nfs/dbraw/zinc/49/25/41/779492541.db2.gz BGQLCWPNLNPLAG-CABCVRRESA-N 0 3 319.355 2.104 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ncc(Cl)s3)C[C@@H]2C1 ZINC001088040064 779649632 /nfs/dbraw/zinc/64/96/32/779649632.db2.gz WVPLDLBVRWWNTM-NEPJUHHUSA-N 0 3 323.849 2.214 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3C)C[C@@H]2C1 ZINC001088195611 779767548 /nfs/dbraw/zinc/76/75/48/779767548.db2.gz NMKSHZWOKQGXEO-MOPGFXCFSA-N 0 3 310.441 2.341 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001073597475 790733235 /nfs/dbraw/zinc/73/32/35/790733235.db2.gz AJOCINZHEWWGOE-AWEZNQCLSA-N 0 3 308.447 2.453 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3sccc3CC)C[C@@H]2C1 ZINC001088210796 779774390 /nfs/dbraw/zinc/77/43/90/779774390.db2.gz BMQJKPDZSGBTSZ-CABCVRRESA-N 0 3 302.443 2.338 20 30 DEEDHN CC1(C)CC(C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001126601796 779826796 /nfs/dbraw/zinc/82/67/96/779826796.db2.gz QEAOLPUFOMKNIZ-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccnn2C)C1 ZINC001088277555 779901304 /nfs/dbraw/zinc/90/13/04/779901304.db2.gz COZHPALXHQZUCK-CYBMUJFWSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001088368658 780029968 /nfs/dbraw/zinc/02/99/68/780029968.db2.gz PAZLDLNYOIXCSV-HIFRSBDPSA-N 0 3 318.820 2.228 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccccc1COC ZINC001168109613 780076918 /nfs/dbraw/zinc/07/69/18/780076918.db2.gz CTWGQUBNRBGOLN-UHFFFAOYSA-N 0 3 310.825 2.224 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001073681660 790786914 /nfs/dbraw/zinc/78/69/14/790786914.db2.gz URSZMVWODMTQNW-OAHLLOKOSA-N 0 3 320.458 2.209 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2C2CCC2)[C@H]1C ZINC001088573269 780501769 /nfs/dbraw/zinc/50/17/69/780501769.db2.gz ISKPZJQRANFYPK-HIFRSBDPSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2Cc3ccccc3O2)[C@H]1C ZINC001088586713 780548124 /nfs/dbraw/zinc/54/81/24/780548124.db2.gz HOKUNDVHCYXOED-BMFZPTHFSA-N 0 3 300.402 2.145 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001073703201 790802615 /nfs/dbraw/zinc/80/26/15/790802615.db2.gz IQEWMOPKYIXFDA-INIZCTEOSA-N 0 3 317.433 2.095 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c3c(nn2C)CCCC3)[C@H]1C ZINC001088594872 780563319 /nfs/dbraw/zinc/56/33/19/780563319.db2.gz IJOQVYISESMHPI-HIFRSBDPSA-N 0 3 316.449 2.068 20 30 DEEDHN CO[C@@H]1CN(CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041616 780595835 /nfs/dbraw/zinc/59/58/35/780595835.db2.gz VYUKUYRLOXOLHG-USXIJHARSA-N 0 3 321.465 2.322 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1OC ZINC001212092626 780631953 /nfs/dbraw/zinc/63/19/53/780631953.db2.gz JVSBZUDKUZFMAB-TZNMXKOXSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2OC)[C@H]1C ZINC001088716336 780903084 /nfs/dbraw/zinc/90/30/84/780903084.db2.gz KKILIJJIUKQSID-ZBFHGGJFSA-N 0 3 302.418 2.311 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2OCCc3ccccc32)[C@H]1C ZINC001088786479 780983985 /nfs/dbraw/zinc/98/39/85/780983985.db2.gz KNGBRSUTIQSZKL-FHLIZLRMSA-N 0 3 314.429 2.456 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C)c(OC)c3)[C@@H]2C1 ZINC001076017414 781079497 /nfs/dbraw/zinc/07/94/97/781079497.db2.gz OXRLGZRXSWNPNV-DLBZAZTESA-N 0 3 314.429 2.265 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc4ccc(C)cn34)[C@@H]2C1 ZINC001076036691 781092644 /nfs/dbraw/zinc/09/26/44/781092644.db2.gz QMSYEIBPWNKYSN-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)cn4ccnc34)[C@@H]2C1 ZINC001076084954 781109072 /nfs/dbraw/zinc/10/90/72/781109072.db2.gz SVQKDCIEQMLWKO-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C1 ZINC001076187970 781162510 /nfs/dbraw/zinc/16/25/10/781162510.db2.gz WAMSCDXYEQBRHH-WMLDXEAASA-N 0 3 310.401 2.285 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)cn3)[C@@H]2C1 ZINC001076244664 781183856 /nfs/dbraw/zinc/18/38/56/781183856.db2.gz WFGOOCKEYAANTJ-FUHWJXTLSA-N 0 3 311.429 2.375 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)[C@@H]2C1 ZINC001076404126 781252422 /nfs/dbraw/zinc/25/24/22/781252422.db2.gz FUOZNQOPIVDGRM-WCQYABFASA-N 0 3 310.348 2.001 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076563856 781309665 /nfs/dbraw/zinc/30/96/65/781309665.db2.gz QEWHXUBLLGPPQQ-FUHWJXTLSA-N 0 3 314.429 2.401 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)CN(CC)CC)CC1 ZINC001076628174 781330736 /nfs/dbraw/zinc/33/07/36/781330736.db2.gz AZVDCRMDZYBOTG-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001076927960 781426781 /nfs/dbraw/zinc/42/67/81/781426781.db2.gz ULTJEHNGDXQXOH-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCNC/C=C\Cl)cc1 ZINC001127020145 781635759 /nfs/dbraw/zinc/63/57/59/781635759.db2.gz OUFGWCPMFMTIJI-WTKPLQERSA-N 0 3 306.793 2.161 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncccc2CC)C1 ZINC001091105966 790909584 /nfs/dbraw/zinc/90/95/84/790909584.db2.gz BEEWTLMXPADNDJ-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=CCCOCCCCC(=O)NCCNCc1cnccc1C ZINC001127124561 781783001 /nfs/dbraw/zinc/78/30/01/781783001.db2.gz FGNGVJXDJUZOTJ-UHFFFAOYSA-N 0 3 319.449 2.359 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001073866834 790923741 /nfs/dbraw/zinc/92/37/41/790923741.db2.gz GOBQPWDENKAANM-INIZCTEOSA-N 0 3 320.820 2.184 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncc(Cl)c2)C[C@@H]1C ZINC000947811240 783237641 /nfs/dbraw/zinc/23/76/41/783237641.db2.gz XXNFDWAZKVBRBB-WFASDCNBSA-N 0 3 305.809 2.341 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2csc(Cl)n2)C[C@@H]1C ZINC000947895557 783261032 /nfs/dbraw/zinc/26/10/32/783261032.db2.gz OIKVATKDVMRLDS-QWRGUYRKSA-N 0 3 311.838 2.403 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C[C@@H]1C ZINC000947899056 783261886 /nfs/dbraw/zinc/26/18/86/783261886.db2.gz DIDRVFHKYMKDCT-WMLDXEAASA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cncnc1C ZINC001089612434 783270968 /nfs/dbraw/zinc/27/09/68/783270968.db2.gz ZYJQWGFZIDUCIJ-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001089619853 783287733 /nfs/dbraw/zinc/28/77/33/783287733.db2.gz WXAUSQBDXPLJLH-HNNXBMFYSA-N 0 3 317.408 2.464 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001089629551 783297694 /nfs/dbraw/zinc/29/76/94/783297694.db2.gz VAKXSDQFOOXKDK-CQSZACIVSA-N 0 3 304.438 2.217 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ncccc23)C[C@@H]1C ZINC000948040786 783300415 /nfs/dbraw/zinc/30/04/15/783300415.db2.gz SQNGXYMEFKEONI-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)C[C@@H]1C ZINC000948052613 783305416 /nfs/dbraw/zinc/30/54/16/783305416.db2.gz HODJUAWNTIGWQS-FZMZJTMJSA-N 0 3 305.447 2.366 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc(CC)s2)C[C@@H]1C ZINC000948083528 783315086 /nfs/dbraw/zinc/31/50/86/783315086.db2.gz VKRVCLAAVRJZTJ-QWHCGFSZSA-N 0 3 305.447 2.312 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2csc(COC)n2)C[C@@H]1C ZINC000948087255 783316721 /nfs/dbraw/zinc/31/67/21/783316721.db2.gz YDOPRJFHTVZZNU-NWDGAFQWSA-N 0 3 309.435 2.058 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnnc1C ZINC001089666257 783338533 /nfs/dbraw/zinc/33/85/33/783338533.db2.gz NVYIFSNSZDWWJF-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2ccc(C)o2)CC1 ZINC000948305966 783419821 /nfs/dbraw/zinc/41/98/21/783419821.db2.gz AXPLUJGPMOEQQU-INIZCTEOSA-N 0 3 302.418 2.467 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000948412610 783457257 /nfs/dbraw/zinc/45/72/57/783457257.db2.gz UHXYADWVSXQVSD-MRXNPFEDSA-N 0 3 316.449 2.099 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nccc3cccnc32)CC1 ZINC000948439597 783466302 /nfs/dbraw/zinc/46/63/02/783466302.db2.gz SLIMBGAQISYIHJ-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc(COC)c2)CC1 ZINC000948589392 783513898 /nfs/dbraw/zinc/51/38/98/783513898.db2.gz AROQQGNILRHIHV-SFHVURJKSA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ncc(Cl)s2)CC1 ZINC000948612539 783528847 /nfs/dbraw/zinc/52/88/47/783528847.db2.gz PDROPSBOYZMJIL-NSHDSACASA-N 0 3 311.838 2.356 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnc3ccc(C)cn32)CC1 ZINC000948612810 783529252 /nfs/dbraw/zinc/52/92/52/783529252.db2.gz RJGOERBJRROCEL-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2sc(C)nc2C)CC1 ZINC000948627737 783537634 /nfs/dbraw/zinc/53/76/34/783537634.db2.gz CQOVDQLIVGZJOC-HNNXBMFYSA-N 0 3 319.474 2.249 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc3[nH]ncc32)CC1 ZINC000948665989 783556487 /nfs/dbraw/zinc/55/64/87/783556487.db2.gz XNGYTSMHDRRRLD-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1nc(CC)c[nH]1 ZINC001085230847 783594449 /nfs/dbraw/zinc/59/44/49/783594449.db2.gz SGHBVUMUEJQKBR-ZIAGYGMSSA-N 0 3 324.856 2.284 20 30 DEEDHN CCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC000966219155 783602199 /nfs/dbraw/zinc/60/21/99/783602199.db2.gz OUDJNKUBPWAQIQ-OAHLLOKOSA-N 0 3 301.390 2.057 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC)nc1 ZINC001085266192 783611885 /nfs/dbraw/zinc/61/18/85/783611885.db2.gz NOCHAKSHDYILTF-ZIAGYGMSSA-N 0 3 323.824 2.473 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]c(C)nc1C ZINC001085336203 783643678 /nfs/dbraw/zinc/64/36/78/783643678.db2.gz KJMXFKQRUIQZFN-CHWSQXEVSA-N 0 3 310.829 2.410 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(CCc2cccs2)C[C@H]1O ZINC001099974491 783668519 /nfs/dbraw/zinc/66/85/19/783668519.db2.gz RMZNMEKULBMUSR-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cnccc2OC)C1 ZINC000966903966 783809407 /nfs/dbraw/zinc/80/94/07/783809407.db2.gz LHLMIXBYHHYAGE-ZBFHGGJFSA-N 0 3 317.433 2.035 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC000966917617 783821047 /nfs/dbraw/zinc/82/10/47/783821047.db2.gz VCDSQYGQSQXACU-LRDDRELGSA-N 0 3 319.474 2.152 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC000967063518 783873878 /nfs/dbraw/zinc/87/38/78/783873878.db2.gz RUQIWNXSWOQDDJ-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001085621499 783895028 /nfs/dbraw/zinc/89/50/28/783895028.db2.gz SBNSIUIHNOKVQX-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCN1CC[C@H]1CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001085708890 783990848 /nfs/dbraw/zinc/99/08/48/783990848.db2.gz TWUXNVXVVAFDCE-HNNXBMFYSA-N 0 3 310.401 2.409 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCC1CC(NCc2ccc(C#N)cc2F)C1 ZINC001091183742 790990477 /nfs/dbraw/zinc/99/04/77/790990477.db2.gz XIMXVFIILAYJQX-MLVVQWTHSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1OCCc2ccccc21 ZINC001085756987 784046541 /nfs/dbraw/zinc/04/65/41/784046541.db2.gz WHZQQZJXRJATMX-FUHWJXTLSA-N 0 3 314.429 2.409 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967652272 784081517 /nfs/dbraw/zinc/08/15/17/784081517.db2.gz AZFWQFKOIKPDLX-DYVFJYSZSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CCN(CC=C(C)C)C[C@H]2O)CC1 ZINC001099999068 784129222 /nfs/dbraw/zinc/12/92/22/784129222.db2.gz REZOKHBNMDTNPO-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC001085896104 784188090 /nfs/dbraw/zinc/18/80/90/784188090.db2.gz SSXZFMQIBBZXLN-INIZCTEOSA-N 0 3 304.438 2.262 20 30 DEEDHN Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967975644 784193402 /nfs/dbraw/zinc/19/34/02/784193402.db2.gz OFBHRISTLZLNHZ-QWHCGFSZSA-N 0 3 305.809 2.499 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CC2(C1)CCOCC2 ZINC001085925239 784220666 /nfs/dbraw/zinc/22/06/66/784220666.db2.gz RUQIVLFYYHIDIQ-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C)C1 ZINC001086016145 784324251 /nfs/dbraw/zinc/32/42/51/784324251.db2.gz MNWVLHKNMGBWQT-YJQGPUDQSA-N 0 3 301.228 2.035 20 30 DEEDHN C=CCN1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984585 784286975 /nfs/dbraw/zinc/28/69/75/784286975.db2.gz HVYKRDCGYQBSIR-KRWDZBQOSA-N 0 3 301.434 2.081 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001086141767 784436499 /nfs/dbraw/zinc/43/64/99/784436499.db2.gz SHDUKNYTPKHGRI-IVMMDQJWSA-N 0 3 320.820 2.227 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC000968544594 784456417 /nfs/dbraw/zinc/45/64/17/784456417.db2.gz QRVPURMNYBBXLQ-DOTOQJQBSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2OC)C1 ZINC000968618285 784504046 /nfs/dbraw/zinc/50/40/46/784504046.db2.gz FCODBZKNSPRGFE-RDJZCZTQSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(CCC)c2C)C1 ZINC001086232440 784508225 /nfs/dbraw/zinc/50/82/25/784508225.db2.gz JMIMOUWCYLJUBX-OKILXGFUSA-N 0 3 324.856 2.452 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000968624724 784509426 /nfs/dbraw/zinc/50/94/26/784509426.db2.gz YOGJPQLGSDVEQG-YOEHRIQHSA-N 0 3 302.393 2.218 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC000968731259 784562229 /nfs/dbraw/zinc/56/22/29/784562229.db2.gz ORNZXLIQFNFYPZ-UONOGXRCSA-N 0 3 324.856 2.340 20 30 DEEDHN C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000968757684 784575671 /nfs/dbraw/zinc/57/56/71/784575671.db2.gz AZCZRPUMSQXJOD-HNNXBMFYSA-N 0 3 300.402 2.390 20 30 DEEDHN C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000968757684 784575679 /nfs/dbraw/zinc/57/56/79/784575679.db2.gz AZCZRPUMSQXJOD-HNNXBMFYSA-N 0 3 300.402 2.390 20 30 DEEDHN C=C(C)CCN1CCCCC[C@@H]1CNC(=O)c1cnns1 ZINC000968760628 784578018 /nfs/dbraw/zinc/57/80/18/784578018.db2.gz BSRXUFOCGDHWTK-CYBMUJFWSA-N 0 3 308.451 2.479 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001086373791 784629638 /nfs/dbraw/zinc/62/96/38/784629638.db2.gz ONKCJMFHSLHXSC-UMSPYCQHSA-N 0 3 312.211 2.021 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1c(C)nnn1CC ZINC000968888408 784638722 /nfs/dbraw/zinc/63/87/22/784638722.db2.gz UQEBIFZTGCYTRX-HNNXBMFYSA-N 0 3 319.453 2.157 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccn2nccc12 ZINC000968934028 784658531 /nfs/dbraw/zinc/65/85/31/784658531.db2.gz KXHFAOMKDMGIFG-INIZCTEOSA-N 0 3 324.428 2.332 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccnnc1C ZINC000968936712 784660027 /nfs/dbraw/zinc/66/00/27/784660027.db2.gz OIJAFGARELTOOF-OAHLLOKOSA-N 0 3 302.422 2.336 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC001086396137 784660761 /nfs/dbraw/zinc/66/07/61/784660761.db2.gz RGNWKQLQGIEEPF-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC000969087563 784721744 /nfs/dbraw/zinc/72/17/44/784721744.db2.gz CRBKSYDIMOYHFK-AWEZNQCLSA-N 0 3 304.390 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001086475309 784768042 /nfs/dbraw/zinc/76/80/42/784768042.db2.gz RWWMYPJUUQJFQQ-JHJVBQTASA-N 0 3 322.840 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(C/C=C/Cl)CCO)CC1 ZINC001098448565 784813267 /nfs/dbraw/zinc/81/32/67/784813267.db2.gz GYFFJXBWWLIUDF-VMPITWQZSA-N 0 3 314.857 2.236 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001086523277 784857737 /nfs/dbraw/zinc/85/77/37/784857737.db2.gz HNEWEJTZULZBHV-UMSPYCQHSA-N 0 3 308.813 2.138 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccnn2CC2CCC2)C1 ZINC001007346135 784896646 /nfs/dbraw/zinc/89/66/46/784896646.db2.gz UILPAIVVZIAPNC-INIZCTEOSA-N 0 3 316.449 2.454 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001007443668 784922400 /nfs/dbraw/zinc/92/24/00/784922400.db2.gz NBAPAEAEEHFFTM-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC001007458347 784925035 /nfs/dbraw/zinc/92/50/35/784925035.db2.gz WOGQKWXFLJIYRK-CQSZACIVSA-N 0 3 316.401 2.228 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C)nc2OC)C1 ZINC001091267935 791069478 /nfs/dbraw/zinc/06/94/78/791069478.db2.gz ZGIWWSCIBGPIJO-UHFFFAOYSA-N 0 3 323.824 2.249 20 30 DEEDHN CCOCC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001168941044 784974094 /nfs/dbraw/zinc/97/40/94/784974094.db2.gz NTSLZGSJOAOZMS-OAHLLOKOSA-N 0 3 317.433 2.359 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@H](Oc2ncccn2)C1 ZINC001171231360 791071374 /nfs/dbraw/zinc/07/13/74/791071374.db2.gz IRSFWHGMELUHPE-YOEHRIQHSA-N 0 3 308.385 2.433 20 30 DEEDHN N#Cc1ccccc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005959 785000275 /nfs/dbraw/zinc/00/02/75/785000275.db2.gz DNFLDFYZRJYYMR-ZBFHGGJFSA-N 0 3 314.389 2.126 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001007786387 785004962 /nfs/dbraw/zinc/00/49/62/785004962.db2.gz OLMQTNFMPHUGRL-ZDUSSCGKSA-N 0 3 324.856 2.081 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001008002213 785073150 /nfs/dbraw/zinc/07/31/50/785073150.db2.gz ZBEOWOQONNSPFQ-INIZCTEOSA-N 0 3 304.438 2.163 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001008084353 785101295 /nfs/dbraw/zinc/10/12/95/785101295.db2.gz ABCGGXMDYAEUPY-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCOc1ccc(N2CCCc3ccc(CN)nc32)nc1C#N ZINC001169590446 785250118 /nfs/dbraw/zinc/25/01/18/785250118.db2.gz MSXOAEITRUKMOO-UHFFFAOYSA-N 0 3 321.384 2.456 20 30 DEEDHN Cc1csc(CNCCCC[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001169846382 785386096 /nfs/dbraw/zinc/38/60/96/785386096.db2.gz CJFBRJNVSPWGPP-VXGBXAGGSA-N 0 3 308.451 2.376 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cncnc2C2CC2)C1 ZINC001091349275 791109615 /nfs/dbraw/zinc/10/96/15/791109615.db2.gz ZLBCYPFVHSVEFY-UHFFFAOYSA-N 0 3 320.824 2.205 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CN2CCc3ccccc32)C1 ZINC001009578630 785485695 /nfs/dbraw/zinc/48/56/95/785485695.db2.gz NSEGXNMJEUUWFR-QGZVFWFLSA-N 0 3 313.445 2.206 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001009664198 785503542 /nfs/dbraw/zinc/50/35/42/785503542.db2.gz WQJMOAZDLLBIPZ-OAHLLOKOSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001109205556 785754636 /nfs/dbraw/zinc/75/46/36/785754636.db2.gz DRWCBKRHOIAJHN-IKGGRYGDSA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccsc1)C2 ZINC001109407144 785850871 /nfs/dbraw/zinc/85/08/71/785850871.db2.gz IWLMGGFUIDKJBC-PMPSAXMXSA-N 0 3 302.443 2.426 20 30 DEEDHN CC(C)N(C)CC(=O)N(C)CCCNc1cccc(F)c1C#N ZINC001109463446 785889370 /nfs/dbraw/zinc/88/93/70/785889370.db2.gz IURWLHUMZJJNMX-UHFFFAOYSA-N 0 3 320.412 2.298 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@H](C)O ZINC001109597119 785950881 /nfs/dbraw/zinc/95/08/81/785950881.db2.gz AJFHKYHGDSGVDR-FZKCQIBNSA-N 0 3 308.466 2.471 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccncc2)C1 ZINC001086571607 786376225 /nfs/dbraw/zinc/37/62/25/786376225.db2.gz FUOLZPBDACAVMC-RBUKOAKNSA-N 0 3 319.408 2.303 20 30 DEEDHN C=CCCCN1CCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC001113256383 786484282 /nfs/dbraw/zinc/48/42/82/786484282.db2.gz DYBVNZNWTVZWMP-GOEBONIOSA-N 0 3 316.449 2.186 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC001113505500 786647334 /nfs/dbraw/zinc/64/73/34/786647334.db2.gz DDSZHSHVZPDFQC-CVEARBPZSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC001113505987 786649250 /nfs/dbraw/zinc/64/92/50/786649250.db2.gz RNJUMLSDWKMKQX-OLZOCXBDSA-N 0 3 322.371 2.453 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014616294 786662865 /nfs/dbraw/zinc/66/28/65/786662865.db2.gz IURGIENECZITDT-INIZCTEOSA-N 0 3 307.397 2.371 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001015122816 786903180 /nfs/dbraw/zinc/90/31/80/786903180.db2.gz DKUJYJDASQMUDT-AWEZNQCLSA-N 0 3 318.417 2.013 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001015173416 786926027 /nfs/dbraw/zinc/92/60/27/786926027.db2.gz HLCHCZXREDFBFM-HOTGVXAUSA-N 0 3 300.402 2.004 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CCCCNCc1cc(OC)no1 ZINC001170426231 787029049 /nfs/dbraw/zinc/02/90/49/787029049.db2.gz UUWUVDHKPQNRJP-AWEZNQCLSA-N 0 3 321.421 2.251 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001015468290 787071972 /nfs/dbraw/zinc/07/19/72/787071972.db2.gz TWNGPDUMVZMVGB-KRWDZBQOSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001015638832 787153686 /nfs/dbraw/zinc/15/36/86/787153686.db2.gz DUUHVBSSBRBCPX-CQSZACIVSA-N 0 3 311.385 2.004 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C23CCC(CC2)C3)cc1F ZINC001130291771 787333839 /nfs/dbraw/zinc/33/38/39/787333839.db2.gz PHSLWNDAYFBUHN-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCCC#CC)C1 ZINC001130408657 787380301 /nfs/dbraw/zinc/38/03/01/787380301.db2.gz DCYIXNCCGVUGAV-OAHLLOKOSA-N 0 3 314.433 2.195 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001130399430 787387433 /nfs/dbraw/zinc/38/74/33/787387433.db2.gz VOBVJNQHXHKGJG-DZGCQCFKSA-N 0 3 316.449 2.437 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(OC)CC1)C2 ZINC001095941383 787414332 /nfs/dbraw/zinc/41/43/32/787414332.db2.gz XZMXNQAADGLRKW-BHIOZNAESA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1(C(F)F)CC1 ZINC001157986855 787423300 /nfs/dbraw/zinc/42/33/00/787423300.db2.gz KJBTVSTZGZEPFI-UHFFFAOYSA-N 0 3 311.170 2.036 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H](O)C1 ZINC001090490068 787455086 /nfs/dbraw/zinc/45/50/86/787455086.db2.gz QRAQYIGGNYFZEZ-UONOGXRCSA-N 0 3 322.474 2.153 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130704470 787459039 /nfs/dbraw/zinc/45/90/39/787459039.db2.gz PMDCVUVGFLWPLO-DOTOQJQBSA-N 0 3 318.465 2.316 20 30 DEEDHN Cc1noc(C2CC2)c1C(=O)NCCNCc1cccc(C#N)c1 ZINC001131440898 787621173 /nfs/dbraw/zinc/62/11/73/787621173.db2.gz BYYIAUDHMRCYMO-UHFFFAOYSA-N 0 3 324.384 2.252 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(N(C)C)c1)C2 ZINC001096422611 787661746 /nfs/dbraw/zinc/66/17/46/787661746.db2.gz YVFDKWNAXHOTRR-SQNIBIBYSA-N 0 3 311.429 2.111 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)C=C)C[C@@H](C)O2 ZINC001131661090 787672832 /nfs/dbraw/zinc/67/28/32/787672832.db2.gz JLEQAONUSWTKAH-VQIMIIECSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)O[C@]2(CCN(CCOCC)C2)C1 ZINC001131676525 787687582 /nfs/dbraw/zinc/68/75/82/787687582.db2.gz BBIMIJUUZBZFCA-WMZOPIPTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCNCc1ccc(C)nc1C ZINC001131866878 787782393 /nfs/dbraw/zinc/78/23/93/787782393.db2.gz FPUDRCPRRXWJFA-SFHVURJKSA-N 0 3 319.449 2.133 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cc[nH]c2C)CC[C@H]1C ZINC001131950079 787837641 /nfs/dbraw/zinc/83/76/41/787837641.db2.gz IPYYCXNEZWGVTJ-HIFRSBDPSA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2[nH]ccc2C)CC[C@H]1C ZINC001132006792 787888321 /nfs/dbraw/zinc/88/83/21/787888321.db2.gz QJLTWSHCNCBBJF-CABCVRRESA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2[nH]ccc2C)CC[C@@H]1C ZINC001132006795 787888369 /nfs/dbraw/zinc/88/83/69/787888369.db2.gz QJLTWSHCNCBBJF-LSDHHAIUSA-N 0 3 305.422 2.108 20 30 DEEDHN C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1CC1CC(F)(F)C1 ZINC001132047053 787910490 /nfs/dbraw/zinc/91/04/90/787910490.db2.gz SYDKEIWVJBLFNR-IUODEOHRSA-N 0 3 310.388 2.414 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCCO)C1 ZINC001132078863 787918698 /nfs/dbraw/zinc/91/86/98/787918698.db2.gz OUHKVQLKUGTCTO-WCQYABFASA-N 0 3 302.846 2.117 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2ccccc2)CC[C@H]1C ZINC001132134951 787941684 /nfs/dbraw/zinc/94/16/84/787941684.db2.gz APCZCZORHWDMFO-SJLPKXTDSA-N 0 3 316.445 2.401 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150769 787943967 /nfs/dbraw/zinc/94/39/67/787943967.db2.gz WIALXBLERWUKRW-HOTGVXAUSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCOCC(F)(F)F)CC[C@@H]1C ZINC001132150678 787944340 /nfs/dbraw/zinc/94/43/40/787944340.db2.gz VBGQWECVVDQVDM-RYUDHWBXSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCn2nc(C)cc2C)CC[C@@H]1C ZINC001132211044 787967087 /nfs/dbraw/zinc/96/70/87/787967087.db2.gz LIXCSRMRRJLKKC-GOEBONIOSA-N 0 3 304.438 2.045 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(CCOCC)C2)cc1 ZINC001132214201 787968719 /nfs/dbraw/zinc/96/87/19/787968719.db2.gz CYNZBJVSJYVOJD-QAPCUYQASA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccnc(C)c2)CC[C@H]1C ZINC001132368305 788043084 /nfs/dbraw/zinc/04/30/84/788043084.db2.gz KXTOYHAXLXQOFW-WBVHZDCISA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(CC)CC)CC[C@@H]1C ZINC001132368640 788044136 /nfs/dbraw/zinc/04/41/36/788044136.db2.gz PAEKODLNXGJECK-KBPBESRZSA-N 0 3 301.862 2.050 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCn2cccc2)CC[C@H]1C ZINC001132384009 788052496 /nfs/dbraw/zinc/05/24/96/788052496.db2.gz HNVQTVAKSQLNIP-IAGOWNOFSA-N 0 3 319.449 2.050 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(=O)NCCC)CC[C@H]1C ZINC001132429457 788068747 /nfs/dbraw/zinc/06/87/47/788068747.db2.gz MJFBHOBDSOOFPZ-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccccc2C)CC[C@@H]1C ZINC001132458302 788077183 /nfs/dbraw/zinc/07/71/83/788077183.db2.gz SUQZEKIBIPUUSH-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1noc3ccccc31)C2 ZINC001097474778 788109746 /nfs/dbraw/zinc/10/97/46/788109746.db2.gz KINPXJQXAGZJGX-XYPHTWIQSA-N 0 3 323.396 2.115 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132569379 788133056 /nfs/dbraw/zinc/13/30/56/788133056.db2.gz PLIKYTQXBXQXSY-ZIAGYGMSSA-N 0 3 318.417 2.122 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H]2CCC2(C)C)cc1C#N ZINC001132631536 788151270 /nfs/dbraw/zinc/15/12/70/788151270.db2.gz GLIYXRGCMUSFSG-OAHLLOKOSA-N 0 3 315.417 2.209 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNC[C@H](O)c1ccccc1F ZINC001132667754 788161067 /nfs/dbraw/zinc/16/10/67/788161067.db2.gz RMHUHMIKIPRWCJ-BBRMVZONSA-N 0 3 308.397 2.167 20 30 DEEDHN Cc1cc(CNCCCC[C@H](C)NC(=O)C#CC(C)C)on1 ZINC001170637256 788214749 /nfs/dbraw/zinc/21/47/49/788214749.db2.gz DCBRYHZDUPGFEV-AWEZNQCLSA-N 0 3 305.422 2.407 20 30 DEEDHN C=CCCCC(=O)NCCN[C@@H](C)C(=O)NCC1CCCCC1 ZINC001133144865 788299451 /nfs/dbraw/zinc/29/94/51/788299451.db2.gz FPWUFGQQXIIQHL-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN CCn1ccc(CNCCCC[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001170674635 788331270 /nfs/dbraw/zinc/33/12/70/788331270.db2.gz QTUYPYCKPMEGFB-OAHLLOKOSA-N 0 3 316.449 2.081 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc4cnccc4o3)CC2)CC1 ZINC001000193842 788336407 /nfs/dbraw/zinc/33/64/07/788336407.db2.gz BOCMZJLRCZRIGQ-UHFFFAOYSA-N 0 3 323.396 2.435 20 30 DEEDHN C=CCCC1(C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC001133379110 788392932 /nfs/dbraw/zinc/39/29/32/788392932.db2.gz UKPGNGKCZAHMRV-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)NC(C)(C)CC)CCC1 ZINC001133398798 788397874 /nfs/dbraw/zinc/39/78/74/788397874.db2.gz NXYOVSDBZAYOSR-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H](C#N)C(=O)N(CCNCCF)Cc1cccc(Cl)c1 ZINC001133392847 788400825 /nfs/dbraw/zinc/40/08/25/788400825.db2.gz PYANFDKAIVFLGP-GFCCVEGCSA-N 0 3 311.788 2.387 20 30 DEEDHN CSCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133641380 788532563 /nfs/dbraw/zinc/53/25/63/788532563.db2.gz RHPONPYGGDQKOK-NWDGAFQWSA-N 0 3 323.437 2.433 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(CF)CCC2)cc1F ZINC001134040152 788727862 /nfs/dbraw/zinc/72/78/62/788727862.db2.gz AYKGRGJRHWQUJM-UHFFFAOYSA-N 0 3 307.344 2.043 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)C#CC1CC1)NCc1ccccc1C#N ZINC001134318523 788863878 /nfs/dbraw/zinc/86/38/78/788863878.db2.gz TUMOGYDKEUAIPP-GJZGRUSLSA-N 0 3 309.413 2.345 20 30 DEEDHN CC(C)n1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001134322054 788870500 /nfs/dbraw/zinc/87/05/00/788870500.db2.gz OKMAWZRFJFBBJR-HUUCEWRRSA-N 0 3 316.449 2.250 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001134326604 788873094 /nfs/dbraw/zinc/87/30/94/788873094.db2.gz SOYCADQSOVCQHR-NEPJUHHUSA-N 0 3 313.239 2.181 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(Cl)n1C ZINC001134345064 788887520 /nfs/dbraw/zinc/88/75/20/788887520.db2.gz PCEMXZCIIFAFJA-OLZOCXBDSA-N 0 3 324.856 2.106 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCc1cnc(C)s1 ZINC001135058192 789179479 /nfs/dbraw/zinc/17/94/79/789179479.db2.gz KFYGUGDEXNLTOH-GJZGRUSLSA-N 0 3 323.462 2.029 20 30 DEEDHN C=CC1(CC(=O)NCCNCC(=O)N(CC)CC)CCCCC1 ZINC001135190977 789230450 /nfs/dbraw/zinc/23/04/50/789230450.db2.gz QYBHCOJRMNRNDD-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1snnc1C ZINC001135224584 789248975 /nfs/dbraw/zinc/24/89/75/789248975.db2.gz FYJYPXUGVTVVDW-CHWSQXEVSA-N 0 3 322.478 2.413 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccn1CC ZINC001135229542 789259249 /nfs/dbraw/zinc/25/92/49/789259249.db2.gz BETZDNOJPAEZJP-KBPBESRZSA-N 0 3 306.454 2.488 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001070429746 789325913 /nfs/dbraw/zinc/32/59/13/789325913.db2.gz PSKFSBNUTWDNKS-CWRNSKLLSA-N 0 3 314.433 2.047 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1c1cn(C)cn1 ZINC001070480956 789345247 /nfs/dbraw/zinc/34/52/47/789345247.db2.gz ZEROVKWEPYDLFP-DOTOQJQBSA-N 0 3 316.449 2.070 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001070565517 789381296 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O=C(NCC1CC(NCC#Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC001100703920 792799742 /nfs/dbraw/zinc/79/97/42/792799742.db2.gz YWTSMRHDUXVDAJ-DAWZGUTISA-N 0 3 308.425 2.323 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CC)CCOCC2)C1 ZINC001100801198 792856056 /nfs/dbraw/zinc/85/60/56/792856056.db2.gz QECMWJYKHWVGLE-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnn(C(C)C)c3)CCC[C@@H]12 ZINC001094559227 792999726 /nfs/dbraw/zinc/99/97/26/792999726.db2.gz ITBPFFWLHCDLQU-SJLPKXTDSA-N 0 3 314.433 2.072 20 30 DEEDHN CCCC[C@@H](C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101223228 793073529 /nfs/dbraw/zinc/07/35/29/793073529.db2.gz XOKARTNRXBFDKM-LMMKCTJWSA-N 0 3 320.477 2.243 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(C#N)cc2)CC1=O ZINC001171679759 793170079 /nfs/dbraw/zinc/17/00/79/793170079.db2.gz OIISIWHYDSOLAS-AWEZNQCLSA-N 0 3 315.373 2.184 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(Cc2ocnc2C)C[C@H]1C ZINC001101894477 793430236 /nfs/dbraw/zinc/43/02/36/793430236.db2.gz 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CRPFZRXKZPLRPS-FUHWJXTLSA-N 0 3 316.445 2.172 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H]1CN(CC)CCCO1)c1ccccc1 ZINC001150754377 796975480 /nfs/dbraw/zinc/97/54/80/796975480.db2.gz ZALSHHQHOOWWPE-SJORKVTESA-N 0 3 302.418 2.183 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001151150575 797016887 /nfs/dbraw/zinc/01/68/87/797016887.db2.gz SNRKQLMPBPDDBJ-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ccsn2)CC1 ZINC001151174666 797018118 /nfs/dbraw/zinc/01/81/18/797018118.db2.gz FYOTZGGORUXXQR-UHFFFAOYSA-N 0 3 323.462 2.320 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1cccc(OC)c1 ZINC001152370969 797178878 /nfs/dbraw/zinc/17/88/78/797178878.db2.gz WICJDHFWDIZSPD-OAHLLOKOSA-N 0 3 320.433 2.224 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)CC(F)F)C1 ZINC001191407230 797195395 /nfs/dbraw/zinc/19/53/95/797195395.db2.gz MLROSQJBIJQGAB-OLZOCXBDSA-N 0 3 304.381 2.013 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(OC)cs2)C1 ZINC001191673839 797238480 /nfs/dbraw/zinc/23/84/80/797238480.db2.gz ASNRCKRFXVVDJT-CYBMUJFWSA-N 0 3 324.446 2.106 20 30 DEEDHN C=CCCOCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001153080952 797281755 /nfs/dbraw/zinc/28/17/55/797281755.db2.gz JEXVHEPVAQKAKS-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cscc2C)C1 ZINC001192046772 797302923 /nfs/dbraw/zinc/30/29/23/797302923.db2.gz WXUJHWGAYYQANR-BPLDGKMQSA-N 0 3 308.447 2.186 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2cccc(C)c2)C1 ZINC001192073245 797311324 /nfs/dbraw/zinc/31/13/24/797311324.db2.gz RIFKSGSLKCNXNV-GOSISDBHSA-N 0 3 316.445 2.273 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001153349502 797325830 /nfs/dbraw/zinc/32/58/30/797325830.db2.gz BATOPDJMLVVCET-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc2scnc21 ZINC001153350050 797326417 /nfs/dbraw/zinc/32/64/17/797326417.db2.gz OZFIXGHYIKWRFU-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(-c2ccccc2)cn1 ZINC001153476972 797343248 /nfs/dbraw/zinc/34/32/48/797343248.db2.gz BSLBWGNFUPBUFX-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001153793954 797396549 /nfs/dbraw/zinc/39/65/49/797396549.db2.gz DCQDDECAHTZESH-CYBMUJFWSA-N 0 3 315.417 2.128 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@H]1O ZINC001192503328 797397777 /nfs/dbraw/zinc/39/77/77/797397777.db2.gz ARCDRYPWUZKTSN-KBAYOESNSA-N 0 3 314.429 2.021 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001153824087 797404461 /nfs/dbraw/zinc/40/44/61/797404461.db2.gz KAVUHFNZAJHRRU-CYBMUJFWSA-N 0 3 311.385 2.014 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001153857816 797411745 /nfs/dbraw/zinc/41/17/45/797411745.db2.gz DOHMNQLVZGEOBW-RHSMWYFYSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)ccc2F)C1 ZINC001192542527 797412959 /nfs/dbraw/zinc/41/29/59/797412959.db2.gz RVDSZSGINILOJU-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)O)cc1 ZINC001192599862 797419024 /nfs/dbraw/zinc/41/90/24/797419024.db2.gz LDTGMLDWURGQDO-INIZCTEOSA-N 0 3 302.418 2.294 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2ccsc2C)C1 ZINC001192687425 797432248 /nfs/dbraw/zinc/43/22/48/797432248.db2.gz GPVFQIAOAPKQKH-INIZCTEOSA-N 0 3 322.474 2.334 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001154139942 797471692 /nfs/dbraw/zinc/47/16/92/797471692.db2.gz ASCDEONOIRFQTI-CYBMUJFWSA-N 0 3 304.438 2.171 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1nc(C)cs1 ZINC001154327628 797514255 /nfs/dbraw/zinc/51/42/55/797514255.db2.gz NIRNGZQNELDATO-CQSZACIVSA-N 0 3 307.463 2.234 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001154469019 797540738 /nfs/dbraw/zinc/54/07/38/797540738.db2.gz JIDYEZCHJLEGDE-WBVHZDCISA-N 0 3 314.429 2.239 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1CC=CCC1 ZINC001154536004 797556628 /nfs/dbraw/zinc/55/66/28/797556628.db2.gz QNKRCNQNYLWMOD-LBPRGKRZSA-N 0 3 301.228 2.347 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ncccc2Cl)C1 ZINC001193579275 797587216 /nfs/dbraw/zinc/58/72/16/797587216.db2.gz LLNQXUVNSHWZNO-ZDUSSCGKSA-N 0 3 323.824 2.084 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)OCCc2ccccc2)C1 ZINC001193788205 797621246 /nfs/dbraw/zinc/62/12/46/797621246.db2.gz XZDZURAOLCIEAE-WMZOPIPTSA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC001194049659 797669518 /nfs/dbraw/zinc/66/95/18/797669518.db2.gz WUKSXHWRAGPTPK-INIZCTEOSA-N 0 3 319.449 2.418 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001194059055 797671244 /nfs/dbraw/zinc/67/12/44/797671244.db2.gz AJJNWDFYNSPYRH-KRWDZBQOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001194382095 797719821 /nfs/dbraw/zinc/71/98/21/797719821.db2.gz UNKGDMVEMWCPJG-KRWDZBQOSA-N 0 3 320.408 2.451 20 30 DEEDHN COc1ccc(OC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001194507956 797738239 /nfs/dbraw/zinc/73/82/39/797738239.db2.gz MKGIXGNUXULMRQ-ZDUSSCGKSA-N 0 3 305.355 2.468 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(=O)OC ZINC001155475865 797766083 /nfs/dbraw/zinc/76/60/83/797766083.db2.gz VEWMSAKQPKRANR-AJNGGQMLSA-N 0 3 310.438 2.262 20 30 DEEDHN C=CCNC(=O)c1cccnc1N[C@@H]1CNCc2ccsc21 ZINC001155565426 797792031 /nfs/dbraw/zinc/79/20/31/797792031.db2.gz OGWZCJJMZDPJGG-CYBMUJFWSA-N 0 3 314.414 2.315 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001195401551 797892664 /nfs/dbraw/zinc/89/26/64/797892664.db2.gz YNTUUZNXNOVKIK-JHJVBQTASA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001195434466 797907187 /nfs/dbraw/zinc/90/71/87/797907187.db2.gz LORFPTPFJCTMNE-OAHLLOKOSA-N 0 3 300.418 2.252 20 30 DEEDHN CCc1ocnc1C(=O)NCCCNCc1ccccc1C#N ZINC001156035023 797909476 /nfs/dbraw/zinc/90/94/76/797909476.db2.gz IELWAXMTLDALEZ-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCCN(CCCCCF)CC2)[nH]1 ZINC001195496036 797914499 /nfs/dbraw/zinc/91/44/99/797914499.db2.gz BMRMMCRMSFXQOB-UHFFFAOYSA-N 0 3 306.385 2.174 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1coc(CC2CC2)n1 ZINC001156082605 797921445 /nfs/dbraw/zinc/92/14/45/797921445.db2.gz KHSGASUWBWNRRS-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN Cc1nc(C)c(C(=O)NCCCNCc2ccccc2C#N)o1 ZINC001156132136 797931061 /nfs/dbraw/zinc/93/10/61/797931061.db2.gz DOEZRZADDRLMDV-UHFFFAOYSA-N 0 3 312.373 2.073 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCc1ccccc1C#N ZINC001156160681 797935069 /nfs/dbraw/zinc/93/50/69/797935069.db2.gz XITAMWLRMVKEPW-UHFFFAOYSA-N 0 3 315.417 2.137 20 30 DEEDHN CC(C)C#CC(=O)N1CCCN(CC[C@H]2CCCCO2)CC1 ZINC001195775374 797960707 /nfs/dbraw/zinc/96/07/07/797960707.db2.gz YKEFEFAUJXTXIY-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001195828980 797971880 /nfs/dbraw/zinc/97/18/80/797971880.db2.gz NARKQUQAJJXENO-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001156529456 798022814 /nfs/dbraw/zinc/02/28/14/798022814.db2.gz AQTWVYXCEIXTAB-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001196392647 798049431 /nfs/dbraw/zinc/04/94/31/798049431.db2.gz RULIZGAKJOJVNY-IAOVAPTHSA-N 0 3 320.408 2.264 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001196665794 798089685 /nfs/dbraw/zinc/08/96/85/798089685.db2.gz GYUYYMZCJSFPPC-WBVHZDCISA-N 0 3 314.445 2.498 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCOCc1ccccc1 ZINC001156982742 798122713 /nfs/dbraw/zinc/12/27/13/798122713.db2.gz OQDONMUBCYRILM-QGZVFWFLSA-N 0 3 316.445 2.443 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C2CCCC2)no1 ZINC001156993686 798124867 /nfs/dbraw/zinc/12/48/67/798124867.db2.gz KFYKMJCFNYCFJW-CYBMUJFWSA-N 0 3 303.406 2.406 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001196940424 798129014 /nfs/dbraw/zinc/12/90/14/798129014.db2.gz SJXGGRNQRCPAGG-TZMCWYRMSA-N 0 3 323.462 2.008 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001197770281 798235677 /nfs/dbraw/zinc/23/56/77/798235677.db2.gz UEHPMYOWESUYEG-NUEKZKHPSA-N 0 3 320.433 2.362 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1cscn1 ZINC001157680710 798256025 /nfs/dbraw/zinc/25/60/25/798256025.db2.gz XHRMOULAKQSHCK-CQSZACIVSA-N 0 3 323.462 2.272 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001157880495 798296316 /nfs/dbraw/zinc/29/63/16/798296316.db2.gz PLGJVELTLXLRJB-CHWSQXEVSA-N 0 3 324.371 2.160 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001198342967 798318858 /nfs/dbraw/zinc/31/88/58/798318858.db2.gz CYESEQJUTDSUOX-HNNXBMFYSA-N 0 3 322.474 2.416 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2nonc2C)CC1 ZINC001198373260 798323815 /nfs/dbraw/zinc/32/38/15/798323815.db2.gz PRXSAVAAFMBELV-UHFFFAOYSA-N 0 3 308.426 2.496 20 30 DEEDHN C=CCCN[C@H](CNC(=O)CCOC)c1ccccc1OC ZINC001198454377 798336115 /nfs/dbraw/zinc/33/61/15/798336115.db2.gz OIQHYKNDOGRNTD-OAHLLOKOSA-N 0 3 306.406 2.055 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@H](O)C(C)C)c1ccccc1OC ZINC001198703003 798378659 /nfs/dbraw/zinc/37/86/59/798378659.db2.gz DLURIZMQPFXARO-DOTOQJQBSA-N 0 3 320.433 2.035 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)C#CC1CC1)NCC1CC1 ZINC001198723827 798382011 /nfs/dbraw/zinc/38/20/11/798382011.db2.gz LBFSJIIIEXATJN-KRWDZBQOSA-N 0 3 312.413 2.266 20 30 DEEDHN C=CCOCCN1CCC(n2cnc3ccccc3c2=O)CC1 ZINC001198800991 798399677 /nfs/dbraw/zinc/39/96/77/798399677.db2.gz PINBPQXRRKADGW-UHFFFAOYSA-N 0 3 313.401 2.236 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCC[C@@H]1CCOC1 ZINC001110537901 798509256 /nfs/dbraw/zinc/50/92/56/798509256.db2.gz DFGRPKYHGIYMSJ-TVFCKZIOSA-N 0 3 318.461 2.184 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCc2ccco2)CC1 ZINC001159236766 798541679 /nfs/dbraw/zinc/54/16/79/798541679.db2.gz GDKRRZFKBQPYSO-UHFFFAOYSA-N 0 3 300.402 2.374 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](CC)CCCC)CCCO1 ZINC001199914307 798561296 /nfs/dbraw/zinc/56/12/96/798561296.db2.gz PVEJTXVMZPGHFS-SJORKVTESA-N 0 3 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323.437 2.294 20 30 DEEDHN C=CCCCC(=O)N1CCC(CNCc2cnc(C)cn2)CC1 ZINC001206094131 800472768 /nfs/dbraw/zinc/47/27/68/800472768.db2.gz XCUSFNZQNBXCJT-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCCCN1C[C@@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001206988674 800648698 /nfs/dbraw/zinc/64/86/98/800648698.db2.gz QJDXAOLRIZGURJ-VXGBXAGGSA-N 0 3 309.435 2.168 20 30 DEEDHN C=CCN(CCN1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001207203855 800708180 /nfs/dbraw/zinc/70/81/80/800708180.db2.gz RLCFSCYWCGZVFK-GASCZTMLSA-N 0 3 309.454 2.188 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1C ZINC001207216067 800711955 /nfs/dbraw/zinc/71/19/55/800711955.db2.gz UYXHGUIJXUCIKQ-UKRRQHHQSA-N 0 3 307.463 2.478 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207645580 800796653 /nfs/dbraw/zinc/79/66/53/800796653.db2.gz OHCHZHVLPJJFQJ-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCC(C)(F)F)C1 ZINC001207743407 800821894 /nfs/dbraw/zinc/82/18/94/800821894.db2.gz SXQNVCKCVAQUFD-CHWSQXEVSA-N 0 3 304.381 2.061 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCc2cncs2)CCCCC1 ZINC001115453493 800845430 /nfs/dbraw/zinc/84/54/30/800845430.db2.gz SFEWIBHFPMJBMX-GFCCVEGCSA-N 0 3 306.435 2.211 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001207998451 800886607 /nfs/dbraw/zinc/88/66/07/800886607.db2.gz JVDZUXIDANRTAY-IBGZPJMESA-N 0 3 324.399 2.171 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCC(=O)N[C@@H](C)C(C)C)C1 ZINC001208255571 800941538 /nfs/dbraw/zinc/94/15/38/800941538.db2.gz LVHLIFZDVIDYJZ-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001208259119 800942604 /nfs/dbraw/zinc/94/26/04/800942604.db2.gz YWLOKGGGAIIJPJ-GXTWGEPZSA-N 0 3 305.426 2.111 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001208261752 800943591 /nfs/dbraw/zinc/94/35/91/800943591.db2.gz RLJHKPRWYBHPKI-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001208597320 801023319 /nfs/dbraw/zinc/02/33/19/801023319.db2.gz MIBGPHJNXQYNGR-HDMKZQKVSA-N 0 3 316.420 2.464 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN(C[C@H]3CCC=CO3)C2)CC1 ZINC001208873633 801084136 /nfs/dbraw/zinc/08/41/36/801084136.db2.gz IOJUBVDWQCRWLE-OAHLLOKOSA-N 0 3 306.406 2.400 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC001209146273 801135750 /nfs/dbraw/zinc/13/57/50/801135750.db2.gz MPLVDWNYWZZGRW-KRWDZBQOSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCC(=O)N(CC)CC)C1 ZINC001209169976 801142445 /nfs/dbraw/zinc/14/24/45/801142445.db2.gz OUCGVPXYAKZUJI-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCC(=O)N(CC)CC)C1 ZINC001209169977 801142592 /nfs/dbraw/zinc/14/25/92/801142592.db2.gz OUCGVPXYAKZUJI-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001209182720 801143329 /nfs/dbraw/zinc/14/33/29/801143329.db2.gz HTISGYGGKPXKCM-HOCLYGCPSA-N 0 3 304.438 2.103 20 30 DEEDHN CC1(C)OCC(CN2CCN(c3cccc(C#N)c3)CC2)CO1 ZINC001209200919 801149248 /nfs/dbraw/zinc/14/92/48/801149248.db2.gz HTOQFMCLCMEHOQ-UHFFFAOYSA-N 0 3 315.417 2.079 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001209366266 801175981 /nfs/dbraw/zinc/17/59/81/801175981.db2.gz PUGOTHRLJQQYCF-AWEZNQCLSA-N 0 3 317.437 2.119 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001229016515 801208694 /nfs/dbraw/zinc/20/86/94/801208694.db2.gz JZEBGILNGPLSBD-SFHVURJKSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001209869535 801298707 /nfs/dbraw/zinc/29/87/07/801298707.db2.gz OSDZMVFYPNSZQH-CXAGYDPISA-N 0 3 317.433 2.145 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001210316014 801375146 /nfs/dbraw/zinc/37/51/46/801375146.db2.gz URLXDRSPYNFHSJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001210357820 801382179 /nfs/dbraw/zinc/38/21/79/801382179.db2.gz FAIMTJOGFGMGEN-HOCLYGCPSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001210357817 801382259 /nfs/dbraw/zinc/38/22/59/801382259.db2.gz FAIMTJOGFGMGEN-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN(CCCNC(=O)CC(C)C)Cc1cccnc1 ZINC001230655784 801453372 /nfs/dbraw/zinc/45/33/72/801453372.db2.gz AEEODGAVKKUYLR-UHFFFAOYSA-N 0 3 301.434 2.459 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)nc1 ZINC001210728123 801453842 /nfs/dbraw/zinc/45/38/42/801453842.db2.gz IZLGWSIJWFEIFW-CABCVRRESA-N 0 3 303.381 2.005 20 30 DEEDHN CN(C[C@@H]1CCN1CCC1CCCC1)C(=O)CSCC#N ZINC001230819455 801502030 /nfs/dbraw/zinc/50/20/30/801502030.db2.gz VQLSZNWFICKDRY-HNNXBMFYSA-N 0 3 309.479 2.356 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCCC)C[C@H]2OC)cc1 ZINC001213250669 801585754 /nfs/dbraw/zinc/58/57/54/801585754.db2.gz GMKOCYAUHYRKPN-QZTJIDSGSA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213959458 801658841 /nfs/dbraw/zinc/65/88/41/801658841.db2.gz LPRNPAHJIKPAEX-MGSINWNPSA-N 0 3 324.465 2.141 20 30 DEEDHN C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1NCC#Cc1ccccc1 ZINC001214243029 801691462 /nfs/dbraw/zinc/69/14/62/801691462.db2.gz CLUJVOAIVUDTMG-UKRRQHHQSA-N 0 3 324.346 2.427 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C)c1 ZINC001231623096 801698547 /nfs/dbraw/zinc/69/85/47/801698547.db2.gz UHCCGWXOCFWTPN-IAGOWNOFSA-N 0 3 300.402 2.447 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001214305485 801701324 /nfs/dbraw/zinc/70/13/24/801701324.db2.gz DZJVCVLNPNMDFR-RBSFLKMASA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001214521079 801724064 /nfs/dbraw/zinc/72/40/64/801724064.db2.gz WODRGTUCCMEKLC-MZMPZRCHSA-N 0 3 320.408 2.089 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001214743535 801755914 /nfs/dbraw/zinc/75/59/14/801755914.db2.gz CDCDYHPCAQJYSW-CZUORRHYSA-N 0 3 302.422 2.078 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@H]1NCc1ccc(C#N)s1 ZINC001215338137 801840065 /nfs/dbraw/zinc/84/00/65/801840065.db2.gz RTYHOBHATJMJTG-BXUZGUMPSA-N 0 3 309.410 2.306 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(N)nc1)C2 ZINC001232367076 801861118 /nfs/dbraw/zinc/86/11/18/801861118.db2.gz ASETYXCIDPBBNR-WMZOPIPTSA-N 0 3 317.433 2.238 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1n[nH]c3c1CCC3)C2 ZINC001232426848 801878306 /nfs/dbraw/zinc/87/83/06/801878306.db2.gz KYVMKRZOUYRXSQ-KBXCAEBGSA-N 0 3 317.433 2.225 20 30 DEEDHN CC(C)(O)CCN1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001232607952 801926785 /nfs/dbraw/zinc/92/67/85/801926785.db2.gz AASLYIGXHSUOJT-UHFFFAOYSA-N 0 3 321.852 2.490 20 30 DEEDHN CN1CC2(C1)CCN(Cc1ccc(Br)c(C#N)c1)C2 ZINC001232897581 801980616 /nfs/dbraw/zinc/98/06/16/801980616.db2.gz KKWGAOCKJNGOHW-UHFFFAOYSA-N 0 3 320.234 2.458 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(OC(F)F)nc3)CCC2S1 ZINC001232955505 801989914 /nfs/dbraw/zinc/98/99/14/801989914.db2.gz NFEOOIWYOXQZDF-LLVKDONJSA-N 0 3 312.341 2.457 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cccc(N)n1)C2 ZINC001233369620 802093555 /nfs/dbraw/zinc/09/35/55/802093555.db2.gz VXNAAPHBLYVJKI-GOSISDBHSA-N 0 3 314.433 2.197 20 30 DEEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CC[C@H](C)F ZINC001233491370 802132049 /nfs/dbraw/zinc/13/20/49/802132049.db2.gz XHHYUQZTAFLEEI-GJZGRUSLSA-N 0 3 300.418 2.250 20 30 DEEDHN Fc1ccc(C#Cc2ccc(O[C@@H]3CN4C[C@H]3NCC4)cc2)cc1 ZINC001218108114 802144016 /nfs/dbraw/zinc/14/40/16/802144016.db2.gz DEWWZMDQXRYRHX-WOJBJXKFSA-N 0 3 322.383 2.260 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)Cc3ccccc3)[C@H]2C1 ZINC001218180544 802151254 /nfs/dbraw/zinc/15/12/54/802151254.db2.gz HHMBNAAOZSGIIU-ZWKOTPCHSA-N 0 3 314.429 2.107 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001233611773 802165131 /nfs/dbraw/zinc/16/51/31/802165131.db2.gz UHXKIJFHZPJKNF-CVEARBPZSA-N 0 3 323.481 2.016 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H]2CN(CCC(=C)C)C[C@@H]21 ZINC001218455967 802186477 /nfs/dbraw/zinc/18/64/77/802186477.db2.gz VUOSKYUXBKKNOU-ZWKOTPCHSA-N 0 3 318.461 2.448 20 30 DEEDHN CC/C=C\CCN1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001233741959 802195653 /nfs/dbraw/zinc/19/56/53/802195653.db2.gz MQGONJLEUBLHBQ-AWFCHZOYSA-N 0 3 300.406 2.389 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001233742700 802195681 /nfs/dbraw/zinc/19/56/81/802195681.db2.gz QYACWGISPLCZOR-QWHCGFSZSA-N 0 3 307.394 2.184 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218523318 802197828 /nfs/dbraw/zinc/19/78/28/802197828.db2.gz KTDPEZKJMPKISS-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@@H]1CCCCN1 ZINC001218717457 802231610 /nfs/dbraw/zinc/23/16/10/802231610.db2.gz UMJFTQOQZGWBRJ-AWEZNQCLSA-N 0 3 307.357 2.096 20 30 DEEDHN C[C@@H]1CCN[C@H](C(=O)Nc2c(C#N)cnnc2-c2ccccc2)C1 ZINC001218717048 802231833 /nfs/dbraw/zinc/23/18/33/802231833.db2.gz NRFDCTLQACLLOJ-DOMZBBRYSA-N 0 3 321.384 2.342 20 30 DEEDHN N#Cc1ccc([C@H](N)CC(=O)Nc2cccc3n[nH]cc32)cc1 ZINC001218896204 802255003 /nfs/dbraw/zinc/25/50/03/802255003.db2.gz PTKZNLIGVBIWSD-CQSZACIVSA-N 0 3 305.341 2.463 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)/C=C\c2ccco2)[C@@H](O)C1 ZINC001219115446 802283884 /nfs/dbraw/zinc/28/38/84/802283884.db2.gz CBOGUBOYSBTCEG-WMXNSBIJSA-N 0 3 318.417 2.201 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001219159030 802291379 /nfs/dbraw/zinc/29/13/79/802291379.db2.gz ZWXHGPYQQZKGAE-CVEARBPZSA-N 0 3 308.422 2.333 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(Cc2c(C)cc(C)cc2C)C[C@@H]1O ZINC001219326035 802311587 /nfs/dbraw/zinc/31/15/87/802311587.db2.gz IYUVOLWATIYJDB-MSOLQXFVSA-N 0 3 316.445 2.239 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001234245474 802332924 /nfs/dbraw/zinc/33/29/24/802332924.db2.gz APUNYDQGKMLFLT-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001219979078 802396065 /nfs/dbraw/zinc/39/60/65/802396065.db2.gz QNFMJUHUUJJFRB-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001220184707 802421462 /nfs/dbraw/zinc/42/14/62/802421462.db2.gz PBTNKVXOUUDTBO-CVEARBPZSA-N 0 3 308.466 2.168 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@@H](O)C1 ZINC001220178207 802422701 /nfs/dbraw/zinc/42/27/01/802422701.db2.gz CIQSHCMCHBVKHK-OAGGEKHMSA-N 0 3 308.466 2.330 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cccnc2C)[C@@H](O)C1 ZINC001220235349 802430232 /nfs/dbraw/zinc/43/02/32/802430232.db2.gz HLWVTZYQRNFQIQ-SJORKVTESA-N 0 3 319.449 2.135 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@@H]2O)CC1 ZINC001220291860 802439011 /nfs/dbraw/zinc/43/90/11/802439011.db2.gz IQAXOKSNMSHYFZ-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220292228 802439026 /nfs/dbraw/zinc/43/90/26/802439026.db2.gz QXBMOWXIKGWDLG-YCXWXKRNSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001220482283 802466753 /nfs/dbraw/zinc/46/67/53/802466753.db2.gz KTGCSWCWDBFSBB-NEPJUHHUSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001220755160 802493155 /nfs/dbraw/zinc/49/31/55/802493155.db2.gz FKKYNFVPWNJKQC-ZNMIVQPWSA-N 0 3 322.474 2.288 20 30 DEEDHN C=C1CC=C(F)C=C1NC(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001220797891 802499349 /nfs/dbraw/zinc/49/93/49/802499349.db2.gz YLMNPPZCGZTASB-GFCCVEGCSA-N 0 3 310.369 2.249 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@H](C)c2ccccc2)[C@@H](O)C1 ZINC001220910869 802511308 /nfs/dbraw/zinc/51/13/08/802511308.db2.gz XNIINFVQWGJWBE-JQHSSLGASA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001221027556 802521030 /nfs/dbraw/zinc/52/10/30/802521030.db2.gz JUDZBFCYFVVKBV-SOLBZPMBSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnns3)[C@@H]2C1 ZINC001221307484 802553070 /nfs/dbraw/zinc/55/30/70/802553070.db2.gz VCMHAFAJJWOODB-YNEHKIRRSA-N 0 3 306.435 2.039 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CCN(CCOC3CCC3)C[C@H]21 ZINC001221492755 802582981 /nfs/dbraw/zinc/58/29/81/802582981.db2.gz HAMFXIJKVXRSQN-SJLPKXTDSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001221754705 802611225 /nfs/dbraw/zinc/61/12/25/802611225.db2.gz RLLWEPAYZIGXRF-FGTMMUONSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(F)F)[C@@H]2C1 ZINC001221815773 802617854 /nfs/dbraw/zinc/61/78/54/802617854.db2.gz BUZSVCZCQMLTCH-BFHYXJOUSA-N 0 3 316.392 2.013 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CNC(=O)CC)CC1 ZINC001222208400 802655852 /nfs/dbraw/zinc/65/58/52/802655852.db2.gz WYSNRBOMEUBXND-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cc(C)c(Cl)cn2)CC1 ZINC001223577754 802801491 /nfs/dbraw/zinc/80/14/91/802801491.db2.gz FWIRSORDMURUNJ-UHFFFAOYSA-N 0 3 319.836 2.047 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2([C@@H]3CCCCO3)CCC2)CC1 ZINC001223800229 802815877 /nfs/dbraw/zinc/81/58/77/802815877.db2.gz RKJIGAIXRQPSIU-KRWDZBQOSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCCC1 ZINC001225284110 802950766 /nfs/dbraw/zinc/95/07/66/802950766.db2.gz RTFYEVSGOJHRRG-HZPDHXFCSA-N 0 3 321.465 2.028 20 30 DEEDHN CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C#CC(C)C ZINC001226073877 803049952 /nfs/dbraw/zinc/04/99/52/803049952.db2.gz YYTCTUHROKDSER-IAGOWNOFSA-N 0 3 317.433 2.413 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001228074289 803315472 /nfs/dbraw/zinc/31/54/72/803315472.db2.gz GXBKJUVZLJHORX-OIISXLGYSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001228413892 803357138 /nfs/dbraw/zinc/35/71/38/803357138.db2.gz UWYRRXOXANWIRD-RKVPGOIHSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001330821417 1149306944 /nfs/dbraw/zinc/30/69/44/1149306944.db2.gz RBCIDWJRLRBAIF-ZDUSSCGKSA-N 0 3 315.421 2.412 20 30 DEEDHN COCC#CC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001334453512 1150305089 /nfs/dbraw/zinc/30/50/89/1150305089.db2.gz ICNLKXNHGWVBOU-GOSISDBHSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CCOc1ccc(OC)cc1 ZINC001335305534 1150394788 /nfs/dbraw/zinc/39/47/88/1150394788.db2.gz KUUADRQXNVBHFM-INIZCTEOSA-N 0 3 306.406 2.216 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001331517248 1149501255 /nfs/dbraw/zinc/50/12/55/1149501255.db2.gz FCXSIOSJMRXLFS-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccnc(N(C)C)c1 ZINC001331535793 1149518233 /nfs/dbraw/zinc/51/82/33/1149518233.db2.gz XDVISNIBIREGGF-CQSZACIVSA-N 0 3 318.465 2.296 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cn(C)nc1CC)C(C)C ZINC001419872186 1168884798 /nfs/dbraw/zinc/88/47/98/1168884798.db2.gz BPIOHXCQFGRSCJ-AWEZNQCLSA-N 0 3 312.845 2.079 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(P(C)(C)=O)cc1 ZINC001331645359 1149573621 /nfs/dbraw/zinc/57/36/21/1149573621.db2.gz XGWHWGDGXDKJBG-CQSZACIVSA-N 0 3 320.373 2.008 20 30 DEEDHN C#CCN(CC1CC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001343597969 1150755248 /nfs/dbraw/zinc/75/52/48/1150755248.db2.gz BIPDDXDSZCGJPO-GOSISDBHSA-N 0 3 311.429 2.316 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCCc1ccc(OCCCC)cc1 ZINC001574973113 1069316626 /nfs/dbraw/zinc/31/66/26/1069316626.db2.gz SLOHZZJKJIGORG-KRWDZBQOSA-N 0 3 302.418 2.265 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@H]1CNCc1cn[nH]n1 ZINC001575065014 1069353622 /nfs/dbraw/zinc/35/36/22/1069353622.db2.gz COQSCNSAWSFHMS-DZGCQCFKSA-N 0 3 319.453 2.124 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@H]1CNCc1c[nH]nn1 ZINC001575065014 1069353639 /nfs/dbraw/zinc/35/36/39/1069353639.db2.gz COQSCNSAWSFHMS-DZGCQCFKSA-N 0 3 319.453 2.124 20 30 DEEDHN C[C@H]1Cc2cc(CNC(=O)[C@@H](N)CCCCC#N)ccc2O1 ZINC001522855188 1069486148 /nfs/dbraw/zinc/48/61/48/1069486148.db2.gz FCDIHFQBOBYCQO-WFASDCNBSA-N 0 3 301.390 2.037 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001523247949 1069606259 /nfs/dbraw/zinc/60/62/59/1069606259.db2.gz NCVGFCRNFPPPHS-MAUKXSAKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602823729 1069767407 /nfs/dbraw/zinc/76/74/07/1069767407.db2.gz MEECKXPDZMYRNC-LLVKDONJSA-N 0 3 314.349 2.173 20 30 DEEDHN C=CC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602823729 1069767415 /nfs/dbraw/zinc/76/74/15/1069767415.db2.gz MEECKXPDZMYRNC-LLVKDONJSA-N 0 3 314.349 2.173 20 30 DEEDHN C=CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602823729 1069767423 /nfs/dbraw/zinc/76/74/23/1069767423.db2.gz MEECKXPDZMYRNC-LLVKDONJSA-N 0 3 314.349 2.173 20 30 DEEDHN C=CC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602823729 1069767430 /nfs/dbraw/zinc/76/74/30/1069767430.db2.gz MEECKXPDZMYRNC-LLVKDONJSA-N 0 3 314.349 2.173 20 30 DEEDHN C=CCOCC[NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602871894 1069783683 /nfs/dbraw/zinc/78/36/83/1069783683.db2.gz ZUPOBNXDKLQTQV-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CCOCC[NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602871894 1069783686 /nfs/dbraw/zinc/78/36/86/1069783686.db2.gz ZUPOBNXDKLQTQV-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](OC)C1CC1 ZINC001602858695 1069780899 /nfs/dbraw/zinc/78/08/99/1069780899.db2.gz XOUITPGMSSZDGF-INIZCTEOSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](OC)C1CC1 ZINC001602858695 1069780910 /nfs/dbraw/zinc/78/09/10/1069780910.db2.gz XOUITPGMSSZDGF-INIZCTEOSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC1(F)F ZINC001328733870 1148829137 /nfs/dbraw/zinc/82/91/37/1148829137.db2.gz RWQVTIDIXHIIHS-UONOGXRCSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001328732348 1148829257 /nfs/dbraw/zinc/82/92/57/1148829257.db2.gz DIYISQKJJHIZQV-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001328779020 1148833829 /nfs/dbraw/zinc/83/38/29/1148833829.db2.gz DPIIHIJEKIYUAS-IUODEOHRSA-N 0 3 304.438 2.239 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(OC)c1OC ZINC001328787681 1148835523 /nfs/dbraw/zinc/83/55/23/1148835523.db2.gz XOYFKMPTAVSNNC-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001369110103 1148850379 /nfs/dbraw/zinc/85/03/79/1148850379.db2.gz WKODZYYFTZFYRV-KBPBESRZSA-N 0 3 315.889 2.152 20 30 DEEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)C(F)F ZINC001328967110 1148852959 /nfs/dbraw/zinc/85/29/59/1148852959.db2.gz BNORNMKQZRDIRB-QWRGUYRKSA-N 0 3 314.763 2.439 20 30 DEEDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)c2cccc(C#N)c2)C[C@H]1O ZINC001459884558 1058227518 /nfs/dbraw/zinc/22/75/18/1058227518.db2.gz WBHNPABBSKWQNJ-IXDOHACOSA-N 0 3 302.418 2.321 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001499943722 1058392576 /nfs/dbraw/zinc/39/25/76/1058392576.db2.gz ZLEZXVOKPMKVBU-WBVHZDCISA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC001500003300 1058426307 /nfs/dbraw/zinc/42/63/07/1058426307.db2.gz QXJHNHAQCLUVKP-CYBMUJFWSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCN(C(=O)COC)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001500018244 1058434112 /nfs/dbraw/zinc/43/41/12/1058434112.db2.gz CWJWPUCMNKAMOE-UHFFFAOYSA-N 0 3 314.429 2.068 20 30 DEEDHN C#CCN(C(=O)c1ccoc1)C1CCN(CCOC(C)C)CC1 ZINC001500023473 1058438790 /nfs/dbraw/zinc/43/87/90/1058438790.db2.gz RPAPPBUGFDTONO-UHFFFAOYSA-N 0 3 318.417 2.244 20 30 DEEDHN Cc1ccc(CN2CCC(Cc3nncn3C)CC2)cc1C#N ZINC001460806188 1058511361 /nfs/dbraw/zinc/51/13/61/1058511361.db2.gz XRBJRFZYKNCEAY-UHFFFAOYSA-N 0 3 309.417 2.450 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001500294593 1058672674 /nfs/dbraw/zinc/67/26/74/1058672674.db2.gz AKLRODGVHHGBBR-PKOBYXMFSA-N 0 3 314.429 2.368 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@](C)(CN[C@H](C)c2cnccn2)C1 ZINC001500345241 1058710880 /nfs/dbraw/zinc/71/08/80/1058710880.db2.gz CZOZARCMKHWSDQ-CRAIPNDOSA-N 0 3 314.433 2.025 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cn(C)nc2C2CC2)C1 ZINC001500497839 1058851007 /nfs/dbraw/zinc/85/10/07/1058851007.db2.gz BEEALVGVCLAEIA-SFHVURJKSA-N 0 3 316.449 2.315 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC(C)(C)COC)C1 ZINC001500512008 1058878125 /nfs/dbraw/zinc/87/81/25/1058878125.db2.gz OPAHMYSAODNJOO-GOSISDBHSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001500766399 1059076596 /nfs/dbraw/zinc/07/65/96/1059076596.db2.gz NFBGBPIYBHSXRO-JTTJXQCZSA-N 0 3 308.466 2.188 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)Cc1cncc(C)c1 ZINC001501195718 1059365249 /nfs/dbraw/zinc/36/52/49/1059365249.db2.gz BVLBVGAUAWXTLC-UHFFFAOYSA-N 0 3 321.424 2.184 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)c2coc(C)c2)C1 ZINC001501320235 1059447871 /nfs/dbraw/zinc/44/78/71/1059447871.db2.gz OSHCJRKQUUSWMA-KRWDZBQOSA-N 0 3 306.406 2.111 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)Nc1ccc(CN(C)C)cc1F ZINC001468972120 1059884085 /nfs/dbraw/zinc/88/40/85/1059884085.db2.gz RVFFTDXPWTWVQB-UHFFFAOYSA-N 0 3 308.353 2.335 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(C)CCCCCC2)CCO1 ZINC001502058476 1059904425 /nfs/dbraw/zinc/90/44/25/1059904425.db2.gz SKXSAVQWWQANSV-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001502143341 1059992074 /nfs/dbraw/zinc/99/20/74/1059992074.db2.gz QRFLVBBZCHJEAY-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1c(F)ccc2ccncc21 ZINC001502335813 1060052041 /nfs/dbraw/zinc/05/20/41/1060052041.db2.gz BATBLARJIXCTRZ-UHFFFAOYSA-N 0 3 313.376 2.401 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C[C@H]1C=CCCC1 ZINC001502346768 1060061216 /nfs/dbraw/zinc/06/12/16/1060061216.db2.gz ZPHXWBOWCZWXIN-KRWDZBQOSA-N 0 3 306.450 2.163 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1COc2ccccc2C1 ZINC001502351828 1060066241 /nfs/dbraw/zinc/06/62/41/1060066241.db2.gz KYDRPVUPOAJLIZ-QGZVFWFLSA-N 0 3 314.429 2.041 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC1CCCCC1 ZINC001329043404 1148860313 /nfs/dbraw/zinc/86/03/13/1148860313.db2.gz BNLSURCUKLZAEZ-HUUCEWRRSA-N 0 3 323.481 2.274 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001502574236 1060186067 /nfs/dbraw/zinc/18/60/67/1060186067.db2.gz AGHIMTJMLZZUIV-CRAIPNDOSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@](CO)(NCCC(F)(F)F)C1 ZINC001502580008 1060186110 /nfs/dbraw/zinc/18/61/10/1060186110.db2.gz CHLILYDZVBGPQH-AWEZNQCLSA-N 0 3 322.371 2.094 20 30 DEEDHN C#CCN1CCN(CCCCCNC(=O)CC2CCCC2)CC1 ZINC001503735373 1060466150 /nfs/dbraw/zinc/46/61/50/1060466150.db2.gz KQDVRQILCZTSFH-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1occc1C ZINC001505419429 1060561951 /nfs/dbraw/zinc/56/19/51/1060561951.db2.gz ONXOIXXUVAVHST-OAHLLOKOSA-N 0 3 306.406 2.327 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cn2cc(C)ccc2n1 ZINC001505436119 1060594234 /nfs/dbraw/zinc/59/42/34/1060594234.db2.gz VUTRZIPAGKKUQO-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN CCOc1ccc2c(c1)CN(C[C@H](O)CC1(C#N)CC1)CC2 ZINC001473125431 1060651882 /nfs/dbraw/zinc/65/18/82/1060651882.db2.gz ZIJMQGMNJWWOCJ-MRXNPFEDSA-N 0 3 300.402 2.498 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC001473421629 1060682250 /nfs/dbraw/zinc/68/22/50/1060682250.db2.gz QIFGNIYOBQUPLG-MOPGFXCFSA-N 0 3 323.396 2.278 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CCCC1 ZINC001505543758 1060690819 /nfs/dbraw/zinc/69/08/19/1060690819.db2.gz CJWRANXZPRFBTN-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1nsc(C)c1CN[C@H](C)[C@@H](C)NC(=O)C#CC(C)C ZINC001505603441 1060767020 /nfs/dbraw/zinc/76/70/20/1060767020.db2.gz WCSNGVGZHWANTC-VXGBXAGGSA-N 0 3 307.463 2.402 20 30 DEEDHN COc1cc(CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)ccn1 ZINC001505603512 1060767994 /nfs/dbraw/zinc/76/79/94/1060767994.db2.gz WZMRGUBCCOPGPA-UONOGXRCSA-N 0 3 317.433 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccn1 ZINC001474191302 1060830566 /nfs/dbraw/zinc/83/05/66/1060830566.db2.gz JAARLBSAMXONSG-BBWFWOEESA-N 0 3 316.449 2.476 20 30 DEEDHN Cc1ocnc1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001505879758 1061076364 /nfs/dbraw/zinc/07/63/64/1061076364.db2.gz TVNOFUQMJABTRU-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC001369180749 1148862868 /nfs/dbraw/zinc/86/28/68/1148862868.db2.gz MHJQKKBKZPGRJS-XYPYZODXSA-N 0 3 303.244 2.426 20 30 DEEDHN COc1cccc(CN(C)[C@@H](C)CNC(=O)C#CC2CC2)c1C ZINC001505916280 1061129441 /nfs/dbraw/zinc/12/94/41/1061129441.db2.gz HTOHEJXGHSPDAW-AWEZNQCLSA-N 0 3 314.429 2.354 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@H]1CCN1CC[C@@H](C)F ZINC001479263900 1061344284 /nfs/dbraw/zinc/34/42/84/1061344284.db2.gz ODGIPIRILJFLTM-CRAIPNDOSA-N 0 3 316.420 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001479320269 1061392638 /nfs/dbraw/zinc/39/26/38/1061392638.db2.gz IMQODVUHAZQLCW-FQUUOJAGSA-N 0 3 300.830 2.038 20 30 DEEDHN CC1(C(=O)NC[C@H]2C[C@H](NCc3cc(C#N)ccc3F)C2)CC1 ZINC001479370691 1061419176 /nfs/dbraw/zinc/41/91/76/1061419176.db2.gz QXGCFKNMKOQJDQ-CTYIDZIISA-N 0 3 315.392 2.482 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](NCc3ccn(C)n3)C2)C1 ZINC001479473088 1061467977 /nfs/dbraw/zinc/46/79/77/1061467977.db2.gz HATIKFBLJWJQHD-LSDHHAIUSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCCCOC)C(C)(C)[C@H]21 ZINC001479611159 1061519044 /nfs/dbraw/zinc/51/90/44/1061519044.db2.gz HCISSEGOKCMJOE-PVAVHDDUSA-N 0 3 306.450 2.042 20 30 DEEDHN C[C@@H](NC(=O)c1cc(F)c[nH]1)[C@H](C)NCC#Cc1ccccc1 ZINC001329086957 1148863711 /nfs/dbraw/zinc/86/37/11/1148863711.db2.gz RAGRLEYPPHGGDB-UONOGXRCSA-N 0 3 313.376 2.302 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@H](NCC(=O)N(C)CC)C1 ZINC001479690768 1061603185 /nfs/dbraw/zinc/60/31/85/1061603185.db2.gz SYNQGEALRGBCRD-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2cccc(Cl)c2)[C@H]1C ZINC001479727285 1061647414 /nfs/dbraw/zinc/64/74/14/1061647414.db2.gz CLPMXXKROHUABP-DOMZBBRYSA-N 0 3 308.809 2.484 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001479936649 1062063534 /nfs/dbraw/zinc/06/35/34/1062063534.db2.gz LQNKWISDALBCKZ-IRXDYDNUSA-N 0 3 307.482 2.123 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCc2cncs2)C1 ZINC001480150283 1062394182 /nfs/dbraw/zinc/39/41/82/1062394182.db2.gz BEKNOXIVGYDANF-XJKCOSOUSA-N 0 3 323.462 2.109 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@]3(C)CCCc4ccccc43)[C@@H]2C1 ZINC001506821062 1062408552 /nfs/dbraw/zinc/40/85/52/1062408552.db2.gz MDNKOAAUSAMVBP-DCXXXQMHSA-N 0 3 322.452 2.208 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1cnc(Cl)s1 ZINC001506915377 1062514476 /nfs/dbraw/zinc/51/44/76/1062514476.db2.gz YNUOPWFQAPDZDT-NXEZZACHSA-N 0 3 314.842 2.331 20 30 DEEDHN Cc1cnc([C@@H](C)NCCC[C@H](C)NC(=O)C#CC2CC2)cn1 ZINC001506923102 1062533324 /nfs/dbraw/zinc/53/33/24/1062533324.db2.gz PPUYWNBEEQMLHW-DZGCQCFKSA-N 0 3 314.433 2.134 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC001506940681 1062561665 /nfs/dbraw/zinc/56/16/65/1062561665.db2.gz JEDJIXDCONGOQO-NSHDSACASA-N 0 3 311.813 2.336 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H](C)CCCNCC(=C)Cl)c1 ZINC001506940278 1062562457 /nfs/dbraw/zinc/56/24/57/1062562457.db2.gz BYCCNJZGDWHGBD-ZDUSSCGKSA-N 0 3 305.809 2.304 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)N(C)C(C)C ZINC001480338115 1062678457 /nfs/dbraw/zinc/67/84/57/1062678457.db2.gz DSIOIVOBCKGRBR-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCC(=O)NCCCC ZINC001480357455 1062708652 /nfs/dbraw/zinc/70/86/52/1062708652.db2.gz UIYGCRHWCYWHCL-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@H](CN(C)C(=O)C(=O)C(C)(C)C)NCc1cccc(C#N)c1 ZINC001507056354 1062747956 /nfs/dbraw/zinc/74/79/56/1062747956.db2.gz QCAMETHNHGASPE-CYBMUJFWSA-N 0 3 315.417 2.110 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001507074916 1062786209 /nfs/dbraw/zinc/78/62/09/1062786209.db2.gz AJLGTHNUFMWHDY-VIFPVBQESA-N 0 3 316.298 2.316 20 30 DEEDHN C[C@H](CNC(=O)c1ccccc1O)NCC#Cc1ccccc1 ZINC001480426679 1062848066 /nfs/dbraw/zinc/84/80/66/1062848066.db2.gz QHLOUPQUUAJWLH-OAHLLOKOSA-N 0 3 308.381 2.152 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1cn(C)nc1C ZINC001507111650 1062849026 /nfs/dbraw/zinc/84/90/26/1062849026.db2.gz DOPDAJLBGVXTQO-UKRRQHHQSA-N 0 3 306.454 2.267 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001480468622 1062904755 /nfs/dbraw/zinc/90/47/55/1062904755.db2.gz JSULMMAEBBIALJ-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)NCc1ccc(C)cc1C ZINC001507209247 1062972985 /nfs/dbraw/zinc/97/29/85/1062972985.db2.gz YVQVNFHJQVJEFZ-KRWDZBQOSA-N 0 3 304.434 2.226 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@@H]1CCc2c1cccc2F ZINC001507205869 1062973265 /nfs/dbraw/zinc/97/32/65/1062973265.db2.gz GCZJKGZYLCYMCG-CXAGYDPISA-N 0 3 320.408 2.236 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2ccc(OC)nc2)CCC1 ZINC001480531574 1062990141 /nfs/dbraw/zinc/99/01/41/1062990141.db2.gz CUZNEZVCNGMONH-CQSZACIVSA-N 0 3 317.433 2.431 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CC1CCCCCC1 ZINC001480542774 1063007852 /nfs/dbraw/zinc/00/78/52/1063007852.db2.gz GERFZCVVTVGWRA-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001480551411 1063022292 /nfs/dbraw/zinc/02/22/92/1063022292.db2.gz VRTHHOLWNAUFHC-CQSZACIVSA-N 0 3 302.393 2.266 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H](NCc2ccc(Cl)nc2)C[C@H]1C ZINC001507311808 1063075325 /nfs/dbraw/zinc/07/53/25/1063075325.db2.gz ADTCGJXFJGQKHY-UKRRQHHQSA-N 0 3 319.836 2.473 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2nc(Cl)sc2C)C1 ZINC001507314720 1063080681 /nfs/dbraw/zinc/08/06/81/1063080681.db2.gz FTPJOQKVSOXLMS-KOLCDFICSA-N 0 3 311.838 2.321 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H](NCc2cncn2C)C[C@H]1C ZINC001507316726 1063086289 /nfs/dbraw/zinc/08/62/89/1063086289.db2.gz CRHJOEIOOAHVPR-HZPDHXFCSA-N 0 3 316.449 2.083 20 30 DEEDHN Cc1ncccc1CN1CC[C@]2(NC(=O)C#CC3CC3)CCC[C@H]12 ZINC001507341599 1063125586 /nfs/dbraw/zinc/12/55/86/1063125586.db2.gz AZISZTNHNGFEFG-AZUAARDMSA-N 0 3 323.440 2.417 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CC[C@H](CNCc2cnns2)C1 ZINC001507396290 1063222781 /nfs/dbraw/zinc/22/27/81/1063222781.db2.gz NLCXVCIRQDXYRQ-KBPBESRZSA-N 0 3 320.462 2.106 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001480721874 1063237461 /nfs/dbraw/zinc/23/74/61/1063237461.db2.gz NTDLFFIAMNKZBF-QGZVFWFLSA-N 0 3 320.408 2.451 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnc(CC)s2)C1 ZINC001480742994 1063281571 /nfs/dbraw/zinc/28/15/71/1063281571.db2.gz UQTZGWOUYOIUFP-CYBMUJFWSA-N 0 3 305.447 2.265 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCC[C@H]1CCCN1CC(=C)Cl ZINC001480825110 1063407002 /nfs/dbraw/zinc/40/70/02/1063407002.db2.gz YFASRFAEPJPDKF-GJZGRUSLSA-N 0 3 312.841 2.138 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1oc(CC)nc1C)C(C)C ZINC001507855258 1063441566 /nfs/dbraw/zinc/44/15/66/1063441566.db2.gz PDDJNMFOLSKSET-UHFFFAOYSA-N 0 3 305.422 2.351 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CCN([C@H](CC)C(N)=O)CC1 ZINC001508079954 1063540760 /nfs/dbraw/zinc/54/07/60/1063540760.db2.gz HCJADFRVYSBIRC-DZGCQCFKSA-N 0 3 323.481 2.069 20 30 DEEDHN COCCCC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001508097578 1063552554 /nfs/dbraw/zinc/55/25/54/1063552554.db2.gz LJXOCFBEEJXXSO-UHFFFAOYSA-N 0 3 314.429 2.044 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H]1CC1(C)C ZINC001493520508 1063845628 /nfs/dbraw/zinc/84/56/28/1063845628.db2.gz GYOOXCRYXLPPTR-CQSZACIVSA-N 0 3 303.381 2.291 20 30 DEEDHN CCc1ccnc(C(=O)N(C)CCNCc2cccc(C#N)c2)c1 ZINC001493554136 1063862494 /nfs/dbraw/zinc/86/24/94/1063862494.db2.gz ARDUATBNHHTSHZ-UHFFFAOYSA-N 0 3 322.412 2.377 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN[C@H](C)C(=O)N1CCCCC1 ZINC001493685750 1063917588 /nfs/dbraw/zinc/91/75/88/1063917588.db2.gz ZDJLJSBQQQXHDW-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)N(C)C(=O)[C@H](CC)N(C)C)CCC1 ZINC001509062084 1063945480 /nfs/dbraw/zinc/94/54/80/1063945480.db2.gz SHGZUPUKZTVCFO-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnn(C)c1CC)c1ccccc1 ZINC001493895874 1064015464 /nfs/dbraw/zinc/01/54/64/1064015464.db2.gz RCHDNVKWUHPLQH-INIZCTEOSA-N 0 3 312.417 2.229 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCC ZINC001493913481 1064020742 /nfs/dbraw/zinc/02/07/42/1064020742.db2.gz JKYRYUJGZUBVIV-ZACQAIPSSA-N 0 3 306.450 2.280 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CCNC(=O)C(F)F)C2)s1 ZINC001493980434 1064059946 /nfs/dbraw/zinc/05/99/46/1064059946.db2.gz YIARLIXFUDIGBT-SNVBAGLBSA-N 0 3 313.373 2.213 20 30 DEEDHN C=C[C@H](C(=O)N(C)CCN1CCN(CC)CC1)c1ccccc1 ZINC001494108706 1064124846 /nfs/dbraw/zinc/12/48/46/1064124846.db2.gz VMJVAKOHRMIGAD-SFHVURJKSA-N 0 3 315.461 2.052 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001567380399 1064172039 /nfs/dbraw/zinc/17/20/39/1064172039.db2.gz OVTLUGUDBLXKDW-IRXDYDNUSA-N 0 3 320.408 2.480 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCCc1nc(C2CC2)no1 ZINC001567380755 1064172771 /nfs/dbraw/zinc/17/27/71/1064172771.db2.gz VVLVMXBFCKQRNH-AWEZNQCLSA-N 0 3 318.421 2.036 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)CCc2cccc(F)c2)C1 ZINC001567419537 1064191897 /nfs/dbraw/zinc/19/18/97/1064191897.db2.gz PPGUQLIRSCEKRZ-NVXWUHKLSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001494301809 1064204816 /nfs/dbraw/zinc/20/48/16/1064204816.db2.gz JVEWHLYJFCKGHG-CQSZACIVSA-N 0 3 306.410 2.319 20 30 DEEDHN COCCN[C@@H](CNC(=O)[C@H](C)C#N)c1ccc(C(C)C)cc1 ZINC001567653717 1064318879 /nfs/dbraw/zinc/31/88/79/1064318879.db2.gz BHQHVTRXWBLLQC-PBHICJAKSA-N 0 3 317.433 2.363 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)CCC2CCCC2)C1 ZINC001567691646 1064350369 /nfs/dbraw/zinc/35/03/69/1064350369.db2.gz VFCRDJFNPFQLJB-SFHVURJKSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2nn(CC)nc2C)C1 ZINC001567693425 1064350498 /nfs/dbraw/zinc/35/04/98/1064350498.db2.gz PWIJZQYOLTUFPQ-OAHLLOKOSA-N 0 3 319.453 2.109 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001567707908 1064363655 /nfs/dbraw/zinc/36/36/55/1064363655.db2.gz IRKOEIMDEWFVIN-SJORKVTESA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CCCN(CCCF)C1)OCC ZINC001567763234 1064407202 /nfs/dbraw/zinc/40/72/02/1064407202.db2.gz NNMXNTFSOJIRDG-CABCVRRESA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001567767351 1064410288 /nfs/dbraw/zinc/41/02/88/1064410288.db2.gz RAJUKUWEQDEAMV-VXGBXAGGSA-N 0 3 308.344 2.111 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001567773640 1064416613 /nfs/dbraw/zinc/41/66/13/1064416613.db2.gz WHZDUQHTMKFRBR-CVEARBPZSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]nc2ccccc21 ZINC001567865956 1064472092 /nfs/dbraw/zinc/47/20/92/1064472092.db2.gz DNPQIQLMJMTLJG-GJZGRUSLSA-N 0 3 324.428 2.357 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(CCOC2CCCCCC2)C1 ZINC001494812201 1064481648 /nfs/dbraw/zinc/48/16/48/1064481648.db2.gz APTULNULCQCBKP-CVEARBPZSA-N 0 3 321.465 2.418 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CC)Oc2ccccc2F)C1 ZINC001567882532 1064482448 /nfs/dbraw/zinc/48/24/48/1064482448.db2.gz MQMMFSHZCQPPSO-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001567890877 1064486426 /nfs/dbraw/zinc/48/64/26/1064486426.db2.gz UGKNPGQFZNSVRD-SJLPKXTDSA-N 0 3 314.429 2.032 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001494823328 1064489701 /nfs/dbraw/zinc/48/97/01/1064489701.db2.gz VSXJXBZFMVAFKB-IEBWSBKVSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001567893838 1064490494 /nfs/dbraw/zinc/49/04/94/1064490494.db2.gz RPRBCWBNPUIFLK-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001494852113 1064513926 /nfs/dbraw/zinc/51/39/26/1064513926.db2.gz JRIQNBIINVTLJE-HOTGVXAUSA-N 0 3 317.433 2.341 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2ccc(F)cc2F)C1 ZINC001567938162 1064542909 /nfs/dbraw/zinc/54/29/09/1064542909.db2.gz YSBIMJVVPIRRCB-INIZCTEOSA-N 0 3 320.383 2.453 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/nfs/dbraw/zinc/43/51/98/1078435198.db2.gz YDERQOFROYGILX-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001579040947 1067225555 /nfs/dbraw/zinc/22/55/55/1067225555.db2.gz BLHLBNVRSNEKRI-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C/C(C)=C\CC(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001499613294 1067278017 /nfs/dbraw/zinc/27/80/17/1067278017.db2.gz CLDHLPFBMQNGAZ-CLRKVHHDSA-N 0 3 316.445 2.083 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001267021531 1078507329 /nfs/dbraw/zinc/50/73/29/1078507329.db2.gz LCVZOULZFYPLIV-KRWDZBQOSA-N 0 3 307.397 2.371 20 30 DEEDHN Cc1ccc(CC[C@@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)o1 ZINC001579685338 1067404271 /nfs/dbraw/zinc/40/42/71/1067404271.db2.gz LPECXSIMZYCWEU-JHSBQLIOSA-N 0 3 315.417 2.165 20 30 DEEDHN Cc1nc(NC(=O)[C@H](N)CCCCC#N)nc2c1CCCC2 ZINC001579864179 1067441131 /nfs/dbraw/zinc/44/11/31/1067441131.db2.gz KHKSMYLOUVVBAE-CYBMUJFWSA-N 0 3 301.394 2.014 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC001580049148 1067482161 /nfs/dbraw/zinc/48/21/61/1067482161.db2.gz JDDRTYCZOSHGGL-LLVKDONJSA-N 0 3 323.780 2.461 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC001580049449 1067482204 /nfs/dbraw/zinc/48/22/04/1067482204.db2.gz RENGPXPDTMUMSG-HNNXBMFYSA-N 0 3 318.396 2.063 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC001580049450 1067482293 /nfs/dbraw/zinc/48/22/93/1067482293.db2.gz RENGPXPDTMUMSG-OAHLLOKOSA-N 0 3 318.396 2.063 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2c(s1)CSCC2 ZINC001580050614 1067483352 /nfs/dbraw/zinc/48/33/52/1067483352.db2.gz GYESEPUWDIXGLP-SECBINFHSA-N 0 3 310.448 2.282 20 30 DEEDHN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC001580066447 1067487877 /nfs/dbraw/zinc/48/78/77/1067487877.db2.gz LIUZKVVWULLZAL-MRXNPFEDSA-N 0 3 316.364 2.482 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001267054518 1078532562 /nfs/dbraw/zinc/53/25/62/1078532562.db2.gz DMGGAFHDAQUSNF-INIZCTEOSA-N 0 3 317.433 2.423 20 30 DEEDHN CCc1noc(C)c1CNC[C@@H](NC(=O)C#CC(C)C)C1CC1 ZINC001483560294 1078597516 /nfs/dbraw/zinc/59/75/16/1078597516.db2.gz RRENKFCJTTVTKJ-QGZVFWFLSA-N 0 3 317.433 2.189 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1cc(C)ncn1 ZINC001267146597 1078612715 /nfs/dbraw/zinc/61/27/15/1078612715.db2.gz SHYRKRLPEAXACA-CYBMUJFWSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC001570537060 1067991333 /nfs/dbraw/zinc/99/13/33/1067991333.db2.gz WUBREKSROJHSBQ-MRXNPFEDSA-N 0 3 318.465 2.078 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1CC(CNCc2nccn2C)C1 ZINC001570569219 1068011338 /nfs/dbraw/zinc/01/13/38/1068011338.db2.gz CRABONXLVAXQBX-WLYUNCDWSA-N 0 3 304.438 2.007 20 30 DEEDHN COCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001570585801 1068020720 /nfs/dbraw/zinc/02/07/20/1068020720.db2.gz YMMQOOZJLCZKRZ-ZIAGYGMSSA-N 0 3 322.836 2.211 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn(C)nc1C(C)(C)C ZINC001640015986 1078637328 /nfs/dbraw/zinc/63/73/28/1078637328.db2.gz LTAHJXLMMVTADU-UHFFFAOYSA-N 0 3 306.454 2.298 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CC1CCC2(CC1)OCCO2 ZINC001640020133 1078637425 /nfs/dbraw/zinc/63/74/25/1078637425.db2.gz OPIJGEOTBWMAOX-UHFFFAOYSA-N 0 3 324.465 2.276 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cncc(F)c1 ZINC001570627589 1068045789 /nfs/dbraw/zinc/04/57/89/1068045789.db2.gz NCYZXWQBJVBRCR-UONOGXRCSA-N 0 3 305.397 2.397 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(c2ccccc2OC)CC1 ZINC001570753369 1068109423 /nfs/dbraw/zinc/10/94/23/1068109423.db2.gz IGQLZFGAHIZBBZ-AWEZNQCLSA-N 0 3 302.418 2.349 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCOCC(C)C ZINC001570818026 1068127332 /nfs/dbraw/zinc/12/73/32/1068127332.db2.gz KGASTSVADSSMCH-KRWDZBQOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001510608293 1068160926 /nfs/dbraw/zinc/16/09/26/1068160926.db2.gz CCGJPCCCQUIWOD-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N1CCN[C@@H](c2ccccc2)C1 ZINC001640437828 1078660513 /nfs/dbraw/zinc/66/05/13/1078660513.db2.gz AMJPEVWKIYFPBY-OAHLLOKOSA-N 0 3 309.329 2.012 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3coc4ccccc34)[C@@H]2C1 ZINC001570958968 1068166324 /nfs/dbraw/zinc/16/63/24/1068166324.db2.gz UHKQSVQHGUCWLQ-NNZMDNLPSA-N 0 3 322.408 2.293 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001571277176 1068208888 /nfs/dbraw/zinc/20/88/88/1068208888.db2.gz KKUFXXOFQYNWQJ-ZIAGYGMSSA-N 0 3 324.856 2.073 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cnc2n1CCCC2 ZINC001571301077 1068213473 /nfs/dbraw/zinc/21/34/73/1068213473.db2.gz MRPFSDUODYNHHG-CYBMUJFWSA-N 0 3 324.856 2.460 20 30 DEEDHN C=C1CCC(C(=O)NCCN(C)CCOCC(F)F)CC1 ZINC001267216465 1078673154 /nfs/dbraw/zinc/67/31/54/1078673154.db2.gz YBFMLLYVWJQXDC-UHFFFAOYSA-N 0 3 304.381 2.063 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)cn1 ZINC001571414459 1068282610 /nfs/dbraw/zinc/28/26/10/1068282610.db2.gz PSJYZUHNWFONIT-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001571418157 1068286036 /nfs/dbraw/zinc/28/60/36/1068286036.db2.gz RIJNXZXYKCYLDE-HNNXBMFYSA-N 0 3 320.408 2.142 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)C[C@H](C)NCC#CC)cc1 ZINC001571419059 1068286369 /nfs/dbraw/zinc/28/63/69/1068286369.db2.gz KDULDQKJZFMLFV-INIZCTEOSA-N 0 3 314.429 2.254 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](NCc2cccnc2)C[C@@H]1C ZINC001571474692 1068325728 /nfs/dbraw/zinc/32/57/28/1068325728.db2.gz IEUVJTVUSISTQJ-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](NCc2cccnc2)C[C@@H]1C ZINC001571474690 1068326465 /nfs/dbraw/zinc/32/64/65/1068326465.db2.gz IEUVJTVUSISTQJ-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)CN1C(=O)C#CC1CC1 ZINC001571476674 1068329909 /nfs/dbraw/zinc/32/99/09/1068329909.db2.gz HXGNIRJCGYPDFS-BEFAXECRSA-N 0 3 324.399 2.170 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)CCO[C@H]1CCCC[C@@H]1C ZINC001267241080 1078691455 /nfs/dbraw/zinc/69/14/55/1078691455.db2.gz JPOCEBIEXLCOIV-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(F)ccc2F)C1 ZINC001571484851 1068341270 /nfs/dbraw/zinc/34/12/70/1068341270.db2.gz JJOJVYCWUXISRY-IUODEOHRSA-N 0 3 306.356 2.110 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2ccncc2C)[C@H]1C ZINC001571517335 1068379518 /nfs/dbraw/zinc/37/95/18/1068379518.db2.gz QTGJNDFJZQPQEZ-WBVHZDCISA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H]1C ZINC001571521053 1068385785 /nfs/dbraw/zinc/38/57/85/1068385785.db2.gz NGPWRTUYIUPMGG-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC001571558258 1068418579 /nfs/dbraw/zinc/41/85/79/1068418579.db2.gz FYEDTMDTKLHLSD-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@@H](NCCF)C(C)(C)C1)OCC ZINC001571558928 1068420325 /nfs/dbraw/zinc/42/03/25/1068420325.db2.gz UHCZGJMRWBEPME-UONOGXRCSA-N 0 3 300.418 2.154 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cnn(C(F)F)c1)C(C)C ZINC001571615010 1068442095 /nfs/dbraw/zinc/44/20/95/1068442095.db2.gz CDSDJJCIQLULKI-UHFFFAOYSA-N 0 3 300.353 2.247 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc(F)c(C)c1)CCOC ZINC001571641311 1068455896 /nfs/dbraw/zinc/45/58/96/1068455896.db2.gz ALQYXAYUPOPXAA-UHFFFAOYSA-N 0 3 308.397 2.388 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571644232 1068456687 /nfs/dbraw/zinc/45/66/87/1068456687.db2.gz INWNRFBIBWPPNC-SZVBFZGTSA-N 0 3 318.461 2.043 20 30 DEEDHN CN(C(=O)[C@@H]1CC1(F)F)C1CC(NCC#Cc2ccccc2)C1 ZINC001571656723 1068464139 /nfs/dbraw/zinc/46/41/39/1068464139.db2.gz HLRFOSKIRZLQCW-GPANFISMSA-N 0 3 318.367 2.272 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2nccc(C)n2)c(F)c1 ZINC001571702603 1068491482 /nfs/dbraw/zinc/49/14/82/1068491482.db2.gz ZZNUSSMOCHLVNT-UHFFFAOYSA-N 0 3 314.364 2.130 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001267278725 1078724964 /nfs/dbraw/zinc/72/49/64/1078724964.db2.gz OYNYGYMOBWEBFL-SWLSCSKDSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)COc1ccccc1F ZINC001267280710 1078726836 /nfs/dbraw/zinc/72/68/36/1078726836.db2.gz CTPTYGXPSKJFQS-AWEZNQCLSA-N 0 3 306.381 2.361 20 30 DEEDHN C=CCCC(=O)NCC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001571794384 1068526805 /nfs/dbraw/zinc/52/68/05/1068526805.db2.gz JVNLISCPNGPOGK-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1CCN1CCC1CCOCC1 ZINC001483643051 1078735693 /nfs/dbraw/zinc/73/56/93/1078735693.db2.gz PPEFAWSRSIYPNP-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001267304803 1078750771 /nfs/dbraw/zinc/75/07/71/1078750771.db2.gz MTQLZDZYYXSVIN-OXJNMPFZSA-N 0 3 310.441 2.352 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1noc2ccccc21 ZINC001267315457 1078759561 /nfs/dbraw/zinc/75/95/61/1078759561.db2.gz ZNYAIRNRJCIYLO-UHFFFAOYSA-N 0 3 313.401 2.222 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1ccc(F)c(F)c1 ZINC001267317407 1078760412 /nfs/dbraw/zinc/76/04/12/1078760412.db2.gz YULYVDRCCCGWPV-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001267320650 1078761647 /nfs/dbraw/zinc/76/16/47/1078761647.db2.gz QVKSJRRHGCAEAH-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001572370320 1068736740 /nfs/dbraw/zinc/73/67/40/1068736740.db2.gz QRPKFKGIIQMBHM-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CN(CC)CC ZINC001515305522 1068859260 /nfs/dbraw/zinc/85/92/60/1068859260.db2.gz RARJYEIKHQDDPE-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cncc(C(F)(F)F)c1 ZINC001515342447 1068864504 /nfs/dbraw/zinc/86/45/04/1068864504.db2.gz DLJGYZWKMWRELL-LLVKDONJSA-N 0 3 300.284 2.450 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CCc1cnccn1)c1ccccc1 ZINC001267376263 1078805708 /nfs/dbraw/zinc/80/57/08/1078805708.db2.gz BKCZXKCUVQJGOI-GOSISDBHSA-N 0 3 324.428 2.432 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cc1cscn1)c1ccccc1 ZINC001267377104 1078807420 /nfs/dbraw/zinc/80/74/20/1078807420.db2.gz LTAJYPZHROHQRD-HNNXBMFYSA-N 0 3 301.415 2.319 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CCNCc2ocnc2C)C1 ZINC001272408735 1078852861 /nfs/dbraw/zinc/85/28/61/1078852861.db2.gz FHUDRPWNUXIBIU-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN Cc1nc(C(=O)N(C)CCNCc2ccc(C#N)cc2)c(C)o1 ZINC001267445221 1078857459 /nfs/dbraw/zinc/85/74/59/1078857459.db2.gz ZOZJERGLQKFZRC-UHFFFAOYSA-N 0 3 312.373 2.025 20 30 DEEDHN CC(C)SCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483716815 1078858034 /nfs/dbraw/zinc/85/80/34/1078858034.db2.gz KLAAUEKCKUKEAQ-UHFFFAOYSA-N 0 3 317.458 2.438 20 30 DEEDHN C=C[C@H](C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1)c1ccccc1 ZINC001521286416 1069226949 /nfs/dbraw/zinc/22/69/49/1069226949.db2.gz KOCYQTQXXAXVMO-HRCADAONSA-N 0 3 304.459 2.460 20 30 DEEDHN C#C[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccc(Br)cc1 ZINC001574504856 1069231249 /nfs/dbraw/zinc/23/12/49/1069231249.db2.gz MSISQGGRVJJMOW-KBPBESRZSA-N 0 3 321.218 2.367 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccc3c(c2)OCCO3)CC1 ZINC001574851215 1069277036 /nfs/dbraw/zinc/27/70/36/1069277036.db2.gz BOIXBGITIBTIHS-LBPRGKRZSA-N 0 3 322.792 2.033 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001574857465 1069279603 /nfs/dbraw/zinc/27/96/03/1069279603.db2.gz VMYVETJTNMMCOY-CQSZACIVSA-N 0 3 321.808 2.121 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001521991248 1069290749 /nfs/dbraw/zinc/29/07/49/1069290749.db2.gz BVILQNMZCDUMQY-ULQDDVLXSA-N 0 3 316.401 2.267 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001574962107 1069307294 /nfs/dbraw/zinc/30/72/94/1069307294.db2.gz FRTTVRQWMSAEHI-QZTJIDSGSA-N 0 3 313.445 2.163 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC(C)(C)COC)C1 ZINC001267474505 1078894037 /nfs/dbraw/zinc/89/40/37/1078894037.db2.gz IPSILSVYPRCEGZ-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN CCCCN(C)CCNC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001543232848 1072484168 /nfs/dbraw/zinc/48/41/68/1072484168.db2.gz WMYCBEYZZBETIS-JXMROGBWSA-N 0 3 306.381 2.256 20 30 DEEDHN CC(C)N(CCCNC(=O)[C@H](C)C#N)Cc1ccc(C#N)s1 ZINC001267499350 1078926389 /nfs/dbraw/zinc/92/63/89/1078926389.db2.gz SNPALSMHZUOKRB-CYBMUJFWSA-N 0 3 318.446 2.496 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](O)CN[C@@H](C)c2ccccc2F)C1 ZINC001272520987 1078946760 /nfs/dbraw/zinc/94/67/60/1078946760.db2.gz MODOJDKKBOCKTO-UONOGXRCSA-N 0 3 320.408 2.310 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NCc1ccccc1F ZINC001369246593 1148881317 /nfs/dbraw/zinc/88/13/17/1148881317.db2.gz VRJGAGIHNQMWCR-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3c(C)nn(C)c3C)CC2)C1=O ZINC001272545063 1078957855 /nfs/dbraw/zinc/95/78/55/1078957855.db2.gz WNXJFMRUNKVQLQ-UHFFFAOYSA-N 0 3 316.449 2.037 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccnn2C(C)C)C1 ZINC001267542506 1078971789 /nfs/dbraw/zinc/97/17/89/1078971789.db2.gz YEJHNOAHKSRTQB-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN Cc1ncoc1C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001671281010 1079032587 /nfs/dbraw/zinc/03/25/87/1079032587.db2.gz MVLJSWQZTAXZCF-KRWDZBQOSA-N 0 3 323.396 2.229 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CN(C)Cc2cncc(F)c2)C1 ZINC001267581312 1079077201 /nfs/dbraw/zinc/07/72/01/1079077201.db2.gz NDGWYUIJNPPXKZ-OAHLLOKOSA-N 0 3 317.408 2.305 20 30 DEEDHN C=CC1(CC(=O)NCC2(NCC#CCOC)CC2)CCCCC1 ZINC001483776005 1079114537 /nfs/dbraw/zinc/11/45/37/1079114537.db2.gz WLPRFPAJFGCDIJ-UHFFFAOYSA-N 0 3 318.461 2.401 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001481042475 1079117303 /nfs/dbraw/zinc/11/73/03/1079117303.db2.gz HPSVIPJGKMPLOK-AWEZNQCLSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001483782835 1079126403 /nfs/dbraw/zinc/12/64/03/1079126403.db2.gz MTVMNFUVHWFYNG-NWDGAFQWSA-N 0 3 322.330 2.079 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001481046602 1079122537 /nfs/dbraw/zinc/12/25/37/1079122537.db2.gz XMKBUMQOEBSGCA-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC001483791904 1079124020 /nfs/dbraw/zinc/12/40/20/1079124020.db2.gz ALFKMWHYIJCUDL-LBPRGKRZSA-N 0 3 306.356 2.330 20 30 DEEDHN CC[C@H](F)CN(CCOC)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001483819108 1079131850 /nfs/dbraw/zinc/13/18/50/1079131850.db2.gz AIOLKZGVNZPCLB-INIZCTEOSA-N 0 3 324.440 2.087 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CCCn3cccc3)C2)C1 ZINC001483847846 1079147738 /nfs/dbraw/zinc/14/77/38/1079147738.db2.gz MSCXFZFQYOJJAW-LJQANCHMSA-N 0 3 313.445 2.216 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC[C@H](C)OC)C2)C1 ZINC001483828963 1079141551 /nfs/dbraw/zinc/14/15/51/1079141551.db2.gz DTUOTLQQWNWXBA-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccn(CC)n2)C[C@@H]1C ZINC001483899611 1079171719 /nfs/dbraw/zinc/17/17/19/1079171719.db2.gz RQDMUMURABMSFK-LSDHHAIUSA-N 0 3 304.438 2.338 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1cn(C)nc1C ZINC001483931859 1079193625 /nfs/dbraw/zinc/19/36/25/1079193625.db2.gz ZVBKYFQZNLVGGB-INIZCTEOSA-N 0 3 304.438 2.165 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCC(=O)N[C@@H](C)C(C)C ZINC001483931615 1079193722 /nfs/dbraw/zinc/19/37/22/1079193722.db2.gz VVIKRMFDDKWSKY-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N[C@@H](C)C(C)C ZINC001483931617 1079193884 /nfs/dbraw/zinc/19/38/84/1079193884.db2.gz VVIKRMFDDKWSKY-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC001267609399 1079207989 /nfs/dbraw/zinc/20/79/89/1079207989.db2.gz ZATBQOJZVKCTBA-UHFFFAOYSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC001483971324 1079213975 /nfs/dbraw/zinc/21/39/75/1079213975.db2.gz GJFDKNPFHAIQLV-GFCCVEGCSA-N 0 3 304.438 2.287 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCCc2ccc(C)s2)C1 ZINC001481127094 1079226812 /nfs/dbraw/zinc/22/68/12/1079226812.db2.gz ZBAZRPXRMNFBHS-OAHLLOKOSA-N 0 3 304.459 2.451 20 30 DEEDHN C#CCN(C(=O)CCCn1cccc1)C1CCN(CC=C)CC1 ZINC001483989939 1079227897 /nfs/dbraw/zinc/22/78/97/1079227897.db2.gz ZYLGKTIKZRITHU-UHFFFAOYSA-N 0 3 313.445 2.381 20 30 DEEDHN CC(=O)N[C@H](CNCC#Cc1ccc(F)cc1)C1CCCC1 ZINC001483989992 1079228030 /nfs/dbraw/zinc/22/80/30/1079228030.db2.gz DCKARCAHOORWNM-GOSISDBHSA-N 0 3 302.393 2.462 20 30 DEEDHN C#CCN(C(=O)c1ccc2c(c1)COC2)C1CCN(CC=C)CC1 ZINC001483987918 1079228821 /nfs/dbraw/zinc/22/88/21/1079228821.db2.gz IVYLBAFHYBSXBD-UHFFFAOYSA-N 0 3 324.424 2.443 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001484038890 1079261360 /nfs/dbraw/zinc/26/13/60/1079261360.db2.gz XROCJQCYIUFYOR-AAEUAGOBSA-N 0 3 305.344 2.459 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC001649849368 1079262703 /nfs/dbraw/zinc/26/27/03/1079262703.db2.gz JOMGFGYSPFXNEX-PKOBYXMFSA-N 0 3 321.380 2.135 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001484044905 1079263490 /nfs/dbraw/zinc/26/34/90/1079263490.db2.gz MWBBOYARZGURFG-CRAIPNDOSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001484053368 1079271551 /nfs/dbraw/zinc/27/15/51/1079271551.db2.gz BWVQXHICXLMMAZ-TZMCWYRMSA-N 0 3 322.371 2.358 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC001646522321 1074470717 /nfs/dbraw/zinc/47/07/17/1074470717.db2.gz NFCLHXRJAMDYHA-MSOLQXFVSA-N 0 3 321.380 2.135 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC001484073025 1079287690 /nfs/dbraw/zinc/28/76/90/1079287690.db2.gz GXUZWDBWUNQUKY-AEFFLSMTSA-N 0 3 318.392 2.117 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OC)c(OC)c1C ZINC001646803698 1074625719 /nfs/dbraw/zinc/62/57/19/1074625719.db2.gz BRFDOBQQOZXMJX-GFCCVEGCSA-N 0 3 312.797 2.098 20 30 DEEDHN C=CCCC(=O)N1CC[C@@](C)(CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001484082940 1079298522 /nfs/dbraw/zinc/29/85/22/1079298522.db2.gz LXGYJYCGHBIKGH-DYVFJYSZSA-N 0 3 319.453 2.223 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC001649919534 1079303117 /nfs/dbraw/zinc/30/31/17/1079303117.db2.gz CWBUARCVCUGIRM-GDBMZVCRSA-N 0 3 322.355 2.419 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001484145975 1079323183 /nfs/dbraw/zinc/32/31/83/1079323183.db2.gz NQXFKFFVMPMMGZ-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN COc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1C#N ZINC001647380195 1074903597 /nfs/dbraw/zinc/90/35/97/1074903597.db2.gz BKPAKVPTSQTTKC-QGZVFWFLSA-N 0 3 321.380 2.070 20 30 DEEDHN CC1(C#N)CCN(C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001647450237 1074930782 /nfs/dbraw/zinc/93/07/82/1074930782.db2.gz WIMCWMROQHYIAG-DLBZAZTESA-N 0 3 302.418 2.487 20 30 DEEDHN CC1(C#N)CCN(C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001647450243 1074930970 /nfs/dbraw/zinc/93/09/70/1074930970.db2.gz WIMCWMROQHYIAG-IRXDYDNUSA-N 0 3 302.418 2.487 20 30 DEEDHN Cc1cc(F)c(C#N)c(NCC(C)(C)N2CCN(C)CC2)c1 ZINC001647469715 1074935075 /nfs/dbraw/zinc/93/50/75/1074935075.db2.gz GFUXRLLONNDPPB-UHFFFAOYSA-N 0 3 304.413 2.444 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H](NCc1cncs1)C1CC1 ZINC001566709465 1074981571 /nfs/dbraw/zinc/98/15/71/1074981571.db2.gz UZVKJCBTBJISJQ-CQSZACIVSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc(OCC#N)c1 ZINC001556466499 1075032744 /nfs/dbraw/zinc/03/27/44/1075032744.db2.gz AURDWZRGBVZRIY-UHFFFAOYSA-N 0 3 315.417 2.098 20 30 DEEDHN C=C(C)CS(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001562010468 1075157707 /nfs/dbraw/zinc/15/77/07/1075157707.db2.gz HDQNGWWIQFVVHD-CABCVRRESA-N 0 3 300.468 2.087 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccoc2Cl)C1 ZINC001566033078 1075159369 /nfs/dbraw/zinc/15/93/69/1075159369.db2.gz NVQNTCONQFDHJN-LBPRGKRZSA-N 0 3 312.797 2.018 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1[C@@H]2CCCN(CC#C)[C@H]2C1(C)C ZINC001565994026 1075213827 /nfs/dbraw/zinc/21/38/27/1075213827.db2.gz ZYUZZJJMBUHNCA-CGTJXYLNSA-N 0 3 300.446 2.418 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@H](CN(C)CCF)C2)cc1 ZINC001267690016 1079376827 /nfs/dbraw/zinc/37/68/27/1079376827.db2.gz KQJUGFAPSBPBHH-OAHLLOKOSA-N 0 3 318.392 2.062 20 30 DEEDHN CC(C)SCC(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001481208514 1079381569 /nfs/dbraw/zinc/38/15/69/1079381569.db2.gz MCBAJDJUXVRGIT-UHFFFAOYSA-N 0 3 305.447 2.248 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC001566600592 1075293791 /nfs/dbraw/zinc/29/37/91/1075293791.db2.gz FUYJGZZEPQPJBA-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCC(=O)N(C)C1CCN(CCn2nc(C)cc2C)CC1 ZINC001566606356 1075295052 /nfs/dbraw/zinc/29/50/52/1075295052.db2.gz MRZCQINEDDZJIQ-UHFFFAOYSA-N 0 3 318.465 2.389 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001267700294 1079388325 /nfs/dbraw/zinc/38/83/25/1079388325.db2.gz MOOJKXFBKXVKKK-FQEVSTJZSA-N 0 3 310.441 2.253 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001566788290 1075344695 /nfs/dbraw/zinc/34/46/95/1075344695.db2.gz CSNQXVJINRDPRQ-SHTZXODSSA-N 0 3 315.417 2.021 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001566823824 1075353295 /nfs/dbraw/zinc/35/32/95/1075353295.db2.gz ALMOWBHCMZCECW-DUIXZTDISA-N 0 3 324.852 2.092 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CCOCC)CCC2)C1 ZINC001566873409 1075369580 /nfs/dbraw/zinc/36/95/80/1075369580.db2.gz FDFFVKFZASGYTD-KRWDZBQOSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)NCC(=O)N(C)C1CCC(C)CC1 ZINC001567001945 1075413659 /nfs/dbraw/zinc/41/36/59/1075413659.db2.gz KGNPXAWKTPNLAF-HWOWSKLDSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1cccc2c1OCCO2 ZINC001567020350 1075417782 /nfs/dbraw/zinc/41/77/82/1075417782.db2.gz QCRUYXAYCQGYFH-CQSZACIVSA-N 0 3 318.417 2.408 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1coc(C2CCCCC2)n1 ZINC001567083528 1075429799 /nfs/dbraw/zinc/42/97/99/1075429799.db2.gz MSTKMRGUFAABEP-ZDUSSCGKSA-N 0 3 303.406 2.454 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001567139107 1075441972 /nfs/dbraw/zinc/44/19/72/1075441972.db2.gz UROPWIXAQJMQSK-HNNXBMFYSA-N 0 3 304.438 2.023 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001567195980 1075460368 /nfs/dbraw/zinc/46/03/68/1075460368.db2.gz GDPDTNPTSIIKAP-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC001567203386 1075462691 /nfs/dbraw/zinc/46/26/91/1075462691.db2.gz WQUKGXWRTGYELF-QGZVFWFLSA-N 0 3 302.393 2.314 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2cnc(C)cn2)cc1 ZINC001567225246 1075467809 /nfs/dbraw/zinc/46/78/09/1075467809.db2.gz OITINWAXUBRGHI-AWEZNQCLSA-N 0 3 322.412 2.065 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1cc(C)ncn1 ZINC001567228545 1075469071 /nfs/dbraw/zinc/46/90/71/1075469071.db2.gz ARYHZEGBCYIFNQ-DYVFJYSZSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCOc2cccnc2)C1 ZINC001267754691 1079455856 /nfs/dbraw/zinc/45/58/56/1079455856.db2.gz SQMQDXJCFWWZDR-OAHLLOKOSA-N 0 3 303.406 2.007 20 30 DEEDHN COCc1ccc(CN(C)[C@@H](C)CNC(=O)C#CC2CC2)cc1 ZINC001329433534 1148894913 /nfs/dbraw/zinc/89/49/13/1148894913.db2.gz XRISJUNJKFNJEF-HNNXBMFYSA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267780653 1079492423 /nfs/dbraw/zinc/49/24/23/1079492423.db2.gz SCOVUQPOPFKZAO-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)CCC(F)(F)F)C1 ZINC001267786351 1079495545 /nfs/dbraw/zinc/49/55/45/1079495545.db2.gz VRWNGRJPARUQHH-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2cc(C)on2)C1 ZINC001267790347 1079496805 /nfs/dbraw/zinc/49/68/05/1079496805.db2.gz KKPXTVVIBVFBSB-MRXNPFEDSA-N 0 3 305.422 2.415 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001582790075 1076184559 /nfs/dbraw/zinc/18/45/59/1076184559.db2.gz KFYJQKANSAHWTN-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001584150106 1076290296 /nfs/dbraw/zinc/29/02/96/1076290296.db2.gz MMBVZDNPYRRIFF-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN CC1(C)CCC[N@@H+]1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590097707 1076562825 /nfs/dbraw/zinc/56/28/25/1076562825.db2.gz ZITAQYIAYOITPC-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN CC1(C)CCC[N@H+]1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590097707 1076562831 /nfs/dbraw/zinc/56/28/31/1076562831.db2.gz ZITAQYIAYOITPC-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN CC1(C)CCC[N@@H+]1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590097707 1076562835 /nfs/dbraw/zinc/56/28/35/1076562835.db2.gz ZITAQYIAYOITPC-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN CC1(C)CCC[N@H+]1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590097707 1076562839 /nfs/dbraw/zinc/56/28/39/1076562839.db2.gz ZITAQYIAYOITPC-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc2c(c1)OCCCO2 ZINC001329459991 1148897425 /nfs/dbraw/zinc/89/74/25/1148897425.db2.gz NFSGUSPSSWNQOY-CYBMUJFWSA-N 0 3 304.390 2.084 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)COc1ccc(OC)c(C)c1 ZINC001329461911 1148897887 /nfs/dbraw/zinc/89/78/87/1148897887.db2.gz WNBSFFVFXVIYBH-AWEZNQCLSA-N 0 3 306.406 2.005 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)COc1ccc(OC)c(C)c1 ZINC001329461913 1148897913 /nfs/dbraw/zinc/89/79/13/1148897913.db2.gz WNBSFFVFXVIYBH-CQSZACIVSA-N 0 3 306.406 2.005 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001592699809 1076955804 /nfs/dbraw/zinc/95/58/04/1076955804.db2.gz NQNBJOXJQUAVEL-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001592699809 1076955807 /nfs/dbraw/zinc/95/58/07/1076955807.db2.gz NQNBJOXJQUAVEL-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001592699809 1076955810 /nfs/dbraw/zinc/95/58/10/1076955810.db2.gz NQNBJOXJQUAVEL-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001592699809 1076955812 /nfs/dbraw/zinc/95/58/12/1076955812.db2.gz NQNBJOXJQUAVEL-AWEZNQCLSA-N 0 3 323.404 2.167 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609051352 1077748920 /nfs/dbraw/zinc/74/89/20/1077748920.db2.gz WSXWOWVQBHXVLH-KCXAZCMYSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609051352 1077748925 /nfs/dbraw/zinc/74/89/25/1077748925.db2.gz WSXWOWVQBHXVLH-KCXAZCMYSA-N 0 3 313.405 2.499 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1ncc(Cl)s1 ZINC001329489817 1148900457 /nfs/dbraw/zinc/90/04/57/1148900457.db2.gz XBADNDHGQPEVSZ-JTQLQIEISA-N 0 3 317.842 2.049 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cc(C)nn2C)C1 ZINC001267877234 1079563812 /nfs/dbraw/zinc/56/38/12/1079563812.db2.gz ALAFQUIUIFDXNF-AWEZNQCLSA-N 0 3 324.856 2.313 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001484407268 1079591075 /nfs/dbraw/zinc/59/10/75/1079591075.db2.gz UFQXCQLVPQONLY-CALCHBBNSA-N 0 3 314.404 2.375 20 30 DEEDHN C[C@H](CC#N)C(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001650409529 1079597414 /nfs/dbraw/zinc/59/74/14/1079597414.db2.gz BRJHVDMSSZQGDU-QLFBSQMISA-N 0 3 313.401 2.045 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(C)c1 ZINC001484459512 1079618842 /nfs/dbraw/zinc/61/88/42/1079618842.db2.gz WHFZYZQPEXLHDC-DLBZAZTESA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN(C)C(C)C ZINC001484467927 1079623150 /nfs/dbraw/zinc/62/31/50/1079623150.db2.gz SUJZCPONGVQVBX-LSDHHAIUSA-N 0 3 313.873 2.144 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001267949665 1079628511 /nfs/dbraw/zinc/62/85/11/1079628511.db2.gz OWRZRQUIPALXPR-QGZVFWFLSA-N 0 3 301.434 2.479 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC001484544477 1079653240 /nfs/dbraw/zinc/65/32/40/1079653240.db2.gz WJXOHAIEZLQPNI-LBPRGKRZSA-N 0 3 312.797 2.483 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)COC)cc1 ZINC001484563535 1079662845 /nfs/dbraw/zinc/66/28/45/1079662845.db2.gz PLMSPOJJCSBCHV-HUUCEWRRSA-N 0 3 302.418 2.259 20 30 DEEDHN CCc1nc(C)c(CNC[C@H](C)CNC(=O)C#CC(C)C)o1 ZINC001267987089 1079667580 /nfs/dbraw/zinc/66/75/80/1079667580.db2.gz ZUIWUKHUNSVYDW-ZDUSSCGKSA-N 0 3 305.422 2.047 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccsc2COC)C1 ZINC001283993999 1079668545 /nfs/dbraw/zinc/66/85/45/1079668545.db2.gz CCGOBNWPBOCBMP-STQMWFEESA-N 0 3 306.431 2.110 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)OCCC(C)C)C2)CC1 ZINC001484581240 1079669201 /nfs/dbraw/zinc/66/92/01/1079669201.db2.gz BYYAIYOIXARGFA-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)CNCc1cnc(C)cn1 ZINC001268001456 1079683430 /nfs/dbraw/zinc/68/34/30/1079683430.db2.gz CHDUACKEBRCMEN-CXAGYDPISA-N 0 3 304.438 2.229 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1cc(C)ncn1 ZINC001268005288 1079688126 /nfs/dbraw/zinc/68/81/26/1079688126.db2.gz SBCQBJLORYAXDH-CYBMUJFWSA-N 0 3 304.438 2.229 20 30 DEEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1cnn(C)c1 ZINC001650521506 1079689112 /nfs/dbraw/zinc/68/91/12/1079689112.db2.gz UTZDSNOCLMMKOY-JOYOIKCWSA-N 0 3 304.300 2.463 20 30 DEEDHN Cc1cc(CNC2(CNC(=O)C#CC(C)C)CCC2)sn1 ZINC001484633596 1079693415 /nfs/dbraw/zinc/69/34/15/1079693415.db2.gz SMIBBVMYAQUFBR-UHFFFAOYSA-N 0 3 305.447 2.239 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(NCc2cnn(C)c2)CCC1 ZINC001484636503 1079695244 /nfs/dbraw/zinc/69/52/44/1079695244.db2.gz QNYGITGLOJAVJU-UHFFFAOYSA-N 0 3 304.438 2.151 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CC[C@H](C)C2)CCC1 ZINC001484647015 1079703809 /nfs/dbraw/zinc/70/38/09/1079703809.db2.gz BAYQLVMNMKCOFC-HOTGVXAUSA-N 0 3 306.450 2.091 20 30 DEEDHN CCC[C@@H]1CCC[C@@H]1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001484640038 1079705808 /nfs/dbraw/zinc/70/58/08/1079705808.db2.gz DKWVQFPEWBIOJS-SJORKVTESA-N 0 3 320.477 2.481 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)[C@H](C)C3CC3)C2)CC1 ZINC001484702240 1079729295 /nfs/dbraw/zinc/72/92/95/1079729295.db2.gz VXGPVNWDXYBBJB-AEFFLSMTSA-N 0 3 319.493 2.217 20 30 DEEDHN C=C(C)CCN1CCN([C@H]2CCN(C(=O)CCCC)C2)CC1 ZINC001484706157 1079731735 /nfs/dbraw/zinc/73/17/35/1079731735.db2.gz WSNUPLQWHLXION-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C2(COC)CCCCC2)CC1 ZINC001484716735 1079742486 /nfs/dbraw/zinc/74/24/86/1079742486.db2.gz QSLDBLBZYFEBDS-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)CC(C)=C(C)C)CC1 ZINC001484720223 1079757581 /nfs/dbraw/zinc/75/75/81/1079757581.db2.gz LKFJHQDAMOGBLF-QGZVFWFLSA-N 0 3 306.450 2.353 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC001484743179 1079763556 /nfs/dbraw/zinc/76/35/56/1079763556.db2.gz DMNJMDAOVJBZPG-UHFFFAOYSA-N 0 3 302.418 2.339 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCOC)CC1 ZINC001481383651 1079770572 /nfs/dbraw/zinc/77/05/72/1079770572.db2.gz IJNUWXNVGODCNI-CALCHBBNSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)OCC(C)C)C1 ZINC001481392417 1079776980 /nfs/dbraw/zinc/77/69/80/1079776980.db2.gz HUELKJWCGADZFD-DLBZAZTESA-N 0 3 308.466 2.384 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCCO2)C1 ZINC001481392533 1079777411 /nfs/dbraw/zinc/77/74/11/1079777411.db2.gz JURVYYHVKCTGAT-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001481395197 1079779956 /nfs/dbraw/zinc/77/99/56/1079779956.db2.gz CJGYHKNSKJQRIQ-INIZCTEOSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc2c(cccc2OC)[nH]1 ZINC001484768672 1079795371 /nfs/dbraw/zinc/79/53/71/1079795371.db2.gz VBWJEQWIWWXCQY-UHFFFAOYSA-N 0 3 313.401 2.204 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](OCC)C(C)C)C2 ZINC001484827457 1079808937 /nfs/dbraw/zinc/80/89/37/1079808937.db2.gz NWDFFMRZKPWRHB-IEBWSBKVSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1nc(C)c(CNC2(CNC(=O)C#CC(C)C)CC2)s1 ZINC001670776695 1079878063 /nfs/dbraw/zinc/87/80/63/1079878063.db2.gz JKDTWJIHPXPIJT-UHFFFAOYSA-N 0 3 305.447 2.158 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481453012 1079880454 /nfs/dbraw/zinc/88/04/54/1079880454.db2.gz YWVZUEFYFLTCLG-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001481471038 1079925123 /nfs/dbraw/zinc/92/51/23/1079925123.db2.gz KEFCVFONHPOYNO-ZWKOTPCHSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001653441862 1079928614 /nfs/dbraw/zinc/92/86/14/1079928614.db2.gz LUUHWVQSZFGASN-SJORKVTESA-N 0 3 302.418 2.208 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CN(C)Cc2oc(C)nc2C)C1 ZINC001481483601 1079940017 /nfs/dbraw/zinc/94/00/17/1079940017.db2.gz DHZKTCUEDOGIRU-MRXNPFEDSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1cc[nH]c1C ZINC001485053420 1079941120 /nfs/dbraw/zinc/94/11/20/1079941120.db2.gz BDIWJJDFDFHZDN-OAHLLOKOSA-N 0 3 305.422 2.062 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1ccc(C)c(F)c1)[C@H]1CCCO1 ZINC001654219339 1079958598 /nfs/dbraw/zinc/95/85/98/1079958598.db2.gz WFRACYMAGUGBEV-HZPDHXFCSA-N 0 3 304.365 2.233 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cc(C(=O)OC)ccc1OC ZINC001654317345 1079960123 /nfs/dbraw/zinc/96/01/23/1079960123.db2.gz BLZGSGCYWZLEKV-UHFFFAOYSA-N 0 3 320.433 2.422 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)N(C)C(C)C ZINC001268064415 1080005216 /nfs/dbraw/zinc/00/52/16/1080005216.db2.gz GOLSJDUUVIVVNR-GJZGRUSLSA-N 0 3 311.470 2.035 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)NCc2ncccc2C)c1 ZINC001485191696 1080057785 /nfs/dbraw/zinc/05/77/85/1080057785.db2.gz RLCSXQZHSJOFTE-HUUCEWRRSA-N 0 3 322.412 2.063 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@H](NCc2cncs2)C1 ZINC001656215988 1080066471 /nfs/dbraw/zinc/06/64/71/1080066471.db2.gz BTMRQXGGIKCBKG-HDJSIYSDSA-N 0 3 305.447 2.321 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H](C)N(C(=O)C=C(C)C)C2)CC1 ZINC001656394138 1080084202 /nfs/dbraw/zinc/08/42/02/1080084202.db2.gz QZQDKHSDEKWMLX-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1ccc(F)cc1 ZINC001485290578 1080121201 /nfs/dbraw/zinc/12/12/01/1080121201.db2.gz YKAXDJZLUKEFBE-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCn2cc(Cl)cn2)[C@H]1CC ZINC001656763946 1080121526 /nfs/dbraw/zinc/12/15/26/1080121526.db2.gz VPPPXNAIPZSUKM-UONOGXRCSA-N 0 3 310.829 2.082 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(N(C)C)ccn1 ZINC001657082806 1080154104 /nfs/dbraw/zinc/15/41/04/1080154104.db2.gz MDTMYSOUWAOEQE-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCc1cnn(CC)c1 ZINC001485338467 1080163615 /nfs/dbraw/zinc/16/36/15/1080163615.db2.gz LJRDHYYLSXLPGD-AWEZNQCLSA-N 0 3 306.454 2.094 20 30 DEEDHN COCCCOC1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001657384773 1080171878 /nfs/dbraw/zinc/17/18/78/1080171878.db2.gz ICYRYNADHPSTKX-GOSISDBHSA-N 0 3 318.417 2.109 20 30 DEEDHN COC[C@H](C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001268204161 1080190532 /nfs/dbraw/zinc/19/05/32/1080190532.db2.gz GOAVNPXEIDPVHE-WMZOPIPTSA-N 0 3 316.445 2.051 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1ccnn1C)C(C)C ZINC001268213516 1080199202 /nfs/dbraw/zinc/19/92/02/1080199202.db2.gz OAQCEHWBCYAYIA-HNNXBMFYSA-N 0 3 306.454 2.253 20 30 DEEDHN C=CCCCC(=O)NC1(CNCc2n[nH]c(C)n2)CCCCC1 ZINC001485454698 1080217769 /nfs/dbraw/zinc/21/77/69/1080217769.db2.gz IOLXORQYKQIEBH-UHFFFAOYSA-N 0 3 319.453 2.378 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCN(C)CCc2cnn(C)c2)CC1 ZINC001268246903 1080229518 /nfs/dbraw/zinc/22/95/18/1080229518.db2.gz GQVRGSJNWQOYFW-UHFFFAOYSA-N 0 3 318.465 2.099 20 30 DEEDHN C=CCOCCN1CCCCC[C@@H]1CNC(=O)c1ncoc1C ZINC001485473380 1080237441 /nfs/dbraw/zinc/23/74/41/1080237441.db2.gz CJSDRSUKGPWHMB-OAHLLOKOSA-N 0 3 321.421 2.160 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001485528646 1080270577 /nfs/dbraw/zinc/27/05/77/1080270577.db2.gz KKUAOJCYVLZPMP-HOCLYGCPSA-N 0 3 306.450 2.206 20 30 DEEDHN CN(Cc1ccc2oc(=O)oc2c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001660209547 1080288651 /nfs/dbraw/zinc/28/86/51/1080288651.db2.gz AUVXLIJNRKBQCA-OAHLLOKOSA-N 0 3 324.336 2.423 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CC[C@H]2CCCCO2)C(C)(C)C1 ZINC001485577821 1080310296 /nfs/dbraw/zinc/31/02/96/1080310296.db2.gz PEIGIWCTNTUSLW-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C1CC=CC1 ZINC001268354602 1080362514 /nfs/dbraw/zinc/36/25/14/1080362514.db2.gz NKRSACLGRMKZLI-LLVKDONJSA-N 0 3 301.228 2.346 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001485680609 1080365120 /nfs/dbraw/zinc/36/51/20/1080365120.db2.gz KOVYOQBSGLFZLP-MGPQQGTHSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001485689353 1080370566 /nfs/dbraw/zinc/37/05/66/1080370566.db2.gz NXDOFHMWXIQFJZ-YEORSEQZSA-N 0 3 323.824 2.200 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1cccc2cccnc21)C1CC1 ZINC001660707828 1080382638 /nfs/dbraw/zinc/38/26/38/1080382638.db2.gz BBLVHPCRVNUHQX-UHFFFAOYSA-N 0 3 321.424 2.381 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H](C)n2cccc2)CC1 ZINC001660769133 1080394851 /nfs/dbraw/zinc/39/48/51/1080394851.db2.gz XTCIQUSBMFDASE-MRXNPFEDSA-N 0 3 319.449 2.175 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001481743127 1080425040 /nfs/dbraw/zinc/42/50/40/1080425040.db2.gz BESNEHWQRGFGOI-JKSUJKDBSA-N 0 3 320.433 2.427 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001481747040 1080430552 /nfs/dbraw/zinc/43/05/52/1080430552.db2.gz LEAQATBXTBRIEW-MRXNPFEDSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C(C)(C)C(C)(F)F)C1 ZINC001481749260 1080436696 /nfs/dbraw/zinc/43/66/96/1080436696.db2.gz PEFUSXVEAYFXOS-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC001661077841 1080438894 /nfs/dbraw/zinc/43/88/94/1080438894.db2.gz IOMHYVAZLZLYBJ-AEFFLSMTSA-N 0 3 310.441 2.469 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1 ZINC001268419995 1080455699 /nfs/dbraw/zinc/45/56/99/1080455699.db2.gz BWLSOVRMKNUMQU-ZDUSSCGKSA-N 0 3 323.824 2.170 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnn(C)c1C1CC1 ZINC001268430527 1080462120 /nfs/dbraw/zinc/46/21/20/1080462120.db2.gz IWGWHDHIWANZRL-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN Cc1ccncc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661403938 1080477671 /nfs/dbraw/zinc/47/76/71/1080477671.db2.gz ZDNHOSXDLYMCIH-IYARVYRRSA-N 0 3 319.408 2.292 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H](OCC)C(C)C)C1 ZINC001481768658 1080485160 /nfs/dbraw/zinc/48/51/60/1080485160.db2.gz QZUGQVJGKIDUTD-DLBZAZTESA-N 0 3 308.466 2.384 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001661722607 1080513736 /nfs/dbraw/zinc/51/37/36/1080513736.db2.gz AJCQQLAGXOMEKX-IAGOWNOFSA-N 0 3 313.445 2.427 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](CC)NCc1cc(C)ccc1F ZINC001481809491 1080518487 /nfs/dbraw/zinc/51/84/87/1080518487.db2.gz URAGLGZSHYNEKQ-QAPCUYQASA-N 0 3 322.424 2.446 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1ccncc1C ZINC001661861154 1080534012 /nfs/dbraw/zinc/53/40/12/1080534012.db2.gz HUFMVMBYJWZMOP-MRXNPFEDSA-N 0 3 317.433 2.177 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(CCOC)CCCC2)C1 ZINC001662017649 1080561347 /nfs/dbraw/zinc/56/13/47/1080561347.db2.gz BQWRUFBQWGDHAF-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001662219808 1080585286 /nfs/dbraw/zinc/58/52/86/1080585286.db2.gz PCCXRWGMHJBTOJ-QWRGUYRKSA-N 0 3 314.838 2.034 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCC(=O)NC1CCCCC1 ZINC001662302790 1080592527 /nfs/dbraw/zinc/59/25/27/1080592527.db2.gz FGZALAOBUUPLCG-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)CCC1 ZINC001662329997 1080597181 /nfs/dbraw/zinc/59/71/81/1080597181.db2.gz QHEILYOOJQANRP-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cccnc2)CCOCC1 ZINC001662398278 1080603768 /nfs/dbraw/zinc/60/37/68/1080603768.db2.gz AKYFHJUYSYEDMH-HNNXBMFYSA-N 0 3 317.433 2.049 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCC(=O)N(C)C(C)C)CCCC1 ZINC001662438106 1080609459 /nfs/dbraw/zinc/60/94/59/1080609459.db2.gz YMHMBZLLXUXFHK-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN CCc1nocc1CNCC[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001481972681 1080656622 /nfs/dbraw/zinc/65/66/22/1080656622.db2.gz MRABQVMWGYPYPN-KBPBESRZSA-N 0 3 318.421 2.115 20 30 DEEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccc2ncccc2c1 ZINC001663175924 1080715141 /nfs/dbraw/zinc/71/51/41/1080715141.db2.gz KGGRPUOQPMMGAS-UHFFFAOYSA-N 0 3 309.413 2.442 20 30 DEEDHN Cc1ncc(CN2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)o1 ZINC001107336988 1080734480 /nfs/dbraw/zinc/73/44/80/1080734480.db2.gz TWBJJNLKMJZKAB-SRCQZFHVSA-N 0 3 316.405 2.004 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN(CCC(F)(F)F)C1 ZINC001663587255 1080783044 /nfs/dbraw/zinc/78/30/44/1080783044.db2.gz GXTJFWHIKMIPTE-GFCCVEGCSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCN(CCNC(=O)c1coc(=O)c2ccccc12)C1CC1 ZINC001663744004 1080811431 /nfs/dbraw/zinc/81/14/31/1080811431.db2.gz KYGBWWRQPYNWCZ-UHFFFAOYSA-N 0 3 312.369 2.173 20 30 DEEDHN C=CCN(CCNC(=O)[C@](C)(OC)c1ccccc1)C1CC1 ZINC001663769856 1080813423 /nfs/dbraw/zinc/81/34/23/1080813423.db2.gz ZBHMBKPCHYOTMY-GOSISDBHSA-N 0 3 302.418 2.315 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CC[C@H]1CCCO1 ZINC001663824726 1080822547 /nfs/dbraw/zinc/82/25/47/1080822547.db2.gz JXDIDQFNIHUGHL-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc(F)c(Cl)cc1F ZINC001664150891 1080866828 /nfs/dbraw/zinc/86/68/28/1080866828.db2.gz OYSXZYYCADISOR-UHFFFAOYSA-N 0 3 300.736 2.303 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1cccc(C(C)C)c1 ZINC001268610763 1080888778 /nfs/dbraw/zinc/88/87/78/1080888778.db2.gz MUANDOJLEZYJCN-SNAWJCMRSA-N 0 3 314.429 2.335 20 30 DEEDHN CCc1nocc1CN(CCCNC(=O)[C@H](C)C#N)C(C)C ZINC001664492564 1080917040 /nfs/dbraw/zinc/91/70/40/1080917040.db2.gz VEPFVSZLQZLWMT-CYBMUJFWSA-N 0 3 306.410 2.113 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268682845 1080932069 /nfs/dbraw/zinc/93/20/69/1080932069.db2.gz UANMOVQMIUMGAL-LSDHHAIUSA-N 0 3 320.408 2.087 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001664683880 1080942513 /nfs/dbraw/zinc/94/25/13/1080942513.db2.gz SBGOSAHBTINGTA-NVXWUHKLSA-N 0 3 318.465 2.477 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001664683881 1080943254 /nfs/dbraw/zinc/94/32/54/1080943254.db2.gz SBGOSAHBTINGTA-RDJZCZTQSA-N 0 3 318.465 2.477 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNCc1ccc(F)c(F)c1 ZINC001268704780 1080943508 /nfs/dbraw/zinc/94/35/08/1080943508.db2.gz RZJCZQLSCKMZPS-GHJWDPDVSA-N 0 3 324.371 2.150 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001664683879 1080943518 /nfs/dbraw/zinc/94/35/18/1080943518.db2.gz SBGOSAHBTINGTA-DOTOQJQBSA-N 0 3 318.465 2.477 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1coc(C2CC2)n1 ZINC001268707023 1080944927 /nfs/dbraw/zinc/94/49/27/1080944927.db2.gz DDJMWCCAYIRVOA-AWEZNQCLSA-N 0 3 323.396 2.312 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@H](C)c2n[nH]c(C)n2)CCCC1 ZINC001268719225 1080950080 /nfs/dbraw/zinc/95/00/80/1080950080.db2.gz WFHWZYKNAVQBGN-QWHCGFSZSA-N 0 3 319.453 2.405 20 30 DEEDHN COCc1cccc(CN(C)C[C@H](C)NC(=O)C#CC(C)C)c1 ZINC001268728796 1080957553 /nfs/dbraw/zinc/95/75/53/1080957553.db2.gz AFZMPCHCSUYRFD-INIZCTEOSA-N 0 3 316.445 2.429 20 30 DEEDHN CN(CCC(F)(F)F)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001664807482 1080964216 /nfs/dbraw/zinc/96/42/16/1080964216.db2.gz ZCFZOMRISXRXJL-CYBMUJFWSA-N 0 3 302.340 2.133 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1c(C)nsc1C ZINC001268760579 1080971514 /nfs/dbraw/zinc/97/15/14/1080971514.db2.gz WIODPIMAZUZSNT-NSHDSACASA-N 0 3 311.451 2.013 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cnns1 ZINC001268767529 1080977186 /nfs/dbraw/zinc/97/71/86/1080977186.db2.gz PXHYXOACDSMBPM-GXTWGEPZSA-N 0 3 308.451 2.269 20 30 DEEDHN CN(CCCNCc1cc(C#N)ccc1F)C(=O)c1ccc[nH]1 ZINC001268778162 1080983734 /nfs/dbraw/zinc/98/37/34/1080983734.db2.gz CGFUMYZQQQHMHQ-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001665386443 1081021249 /nfs/dbraw/zinc/02/12/49/1081021249.db2.gz AEAAIPWUQAIDFE-RLFYNMQTSA-N 0 3 308.466 2.425 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001665632489 1081054117 /nfs/dbraw/zinc/05/41/17/1081054117.db2.gz WAYQGTQLWWIFTO-GJZGRUSLSA-N 0 3 304.438 2.115 20 30 DEEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001665714894 1081070053 /nfs/dbraw/zinc/07/00/53/1081070053.db2.gz JTWTVAMLFLSCAH-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN CC[C@@H](CNC(=O)COC(C)(C)C)NCC#Cc1ccccc1 ZINC001665777132 1081080904 /nfs/dbraw/zinc/08/09/04/1081080904.db2.gz UQXMFOBJXZPDLO-KRWDZBQOSA-N 0 3 316.445 2.338 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001269096855 1081115831 /nfs/dbraw/zinc/11/58/31/1081115831.db2.gz FGYKFFYTCKNLEV-HNNXBMFYSA-N 0 3 306.356 2.111 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)c1cc(C)co1)CC2 ZINC001666829752 1081184698 /nfs/dbraw/zinc/18/46/98/1081184698.db2.gz TWPFNCILCMBQEE-UHFFFAOYSA-N 0 3 318.417 2.329 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)OCCC(C)C)CC2 ZINC001666838212 1081184946 /nfs/dbraw/zinc/18/49/46/1081184946.db2.gz ORPPJOZHZYCYDR-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1cccnc1CNC[C@H](CC(C)C)NC(=O)C#CC1CC1 ZINC001667087638 1081209864 /nfs/dbraw/zinc/20/98/64/1081209864.db2.gz ZHLBXXJUCKZALB-KRWDZBQOSA-N 0 3 313.445 2.424 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001269333028 1081217247 /nfs/dbraw/zinc/21/72/47/1081217247.db2.gz UAFJQTZUUIVFEX-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cccc3cnccc32)CC1 ZINC001269437174 1081247114 /nfs/dbraw/zinc/24/71/14/1081247114.db2.gz LDJARZGKRSYCME-UHFFFAOYSA-N 0 3 307.397 2.039 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)C[C@@H](O)CC(F)(F)F ZINC001667619737 1081268145 /nfs/dbraw/zinc/26/81/45/1081268145.db2.gz YOAQQMPPSBPAJR-GXTWGEPZSA-N 0 3 324.387 2.292 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CSC(C)C)C1 ZINC001269555634 1081289344 /nfs/dbraw/zinc/28/93/44/1081289344.db2.gz GQFZBAQQFSZLAW-HOTGVXAUSA-N 0 3 308.491 2.464 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001668549961 1081367840 /nfs/dbraw/zinc/36/78/40/1081367840.db2.gz NTRKIBOUPSJYEJ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC1(C(=O)N2CCC3(CN(C[C@H](C)O)C3)CC2)CCC1 ZINC001482244883 1081376529 /nfs/dbraw/zinc/37/65/29/1081376529.db2.gz KTXVHZORIXQVLR-HNNXBMFYSA-N 0 3 306.450 2.038 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cn3ccnc13)C2 ZINC001095810701 1081405497 /nfs/dbraw/zinc/40/54/97/1081405497.db2.gz WROMBAAJERNTDL-PVAVHDDUSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCCCC(=O)NC/C=C/CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001669008917 1081419130 /nfs/dbraw/zinc/41/91/30/1081419130.db2.gz NZYXUGQAQUQPNJ-HVHJFMEUSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001270023442 1081430988 /nfs/dbraw/zinc/43/09/88/1081430988.db2.gz ZOTCFVARSRGQEI-CQSZACIVSA-N 0 3 323.824 2.018 20 30 DEEDHN Cn1ccc(C(=O)N2CCC[C@H]2CNCC#Cc2ccccc2)c1 ZINC001270028722 1081431510 /nfs/dbraw/zinc/43/15/10/1081431510.db2.gz UHQNYEURTACXLR-IBGZPJMESA-N 0 3 321.424 2.271 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2cnc(C)nc2)CC1 ZINC001669392460 1081448702 /nfs/dbraw/zinc/44/87/02/1081448702.db2.gz OGUNJRAVWFZGPW-CYBMUJFWSA-N 0 3 302.422 2.126 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccc(C(C)(F)F)cc1 ZINC001669489834 1081453627 /nfs/dbraw/zinc/45/36/27/1081453627.db2.gz PDJISPNDGXLPSV-CYBMUJFWSA-N 0 3 324.371 2.156 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001669539799 1081457050 /nfs/dbraw/zinc/45/70/50/1081457050.db2.gz RFCBFJNEJWPCRY-ZDUSSCGKSA-N 0 3 303.431 2.408 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)COCCc2ccccc2)CC1 ZINC001270266827 1081490290 /nfs/dbraw/zinc/49/02/90/1081490290.db2.gz RBYIWODPQGLCHE-UHFFFAOYSA-N 0 3 316.445 2.402 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)CC[C@@H](C)CC)C2)CC1 ZINC001270273936 1081491075 /nfs/dbraw/zinc/49/10/75/1081491075.db2.gz NHNDLDHYRKLZSZ-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C(=O)CCCC(C)=O)C1CCN(CCC=C)CC1 ZINC001270285147 1081493292 /nfs/dbraw/zinc/49/32/92/1081493292.db2.gz MQSMTPXFICZKAK-UHFFFAOYSA-N 0 3 304.434 2.248 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001670246409 1081504999 /nfs/dbraw/zinc/50/49/99/1081504999.db2.gz YLUUWRMEPRARSQ-UHFFFAOYSA-N 0 3 320.824 2.447 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1nn(C)c2ccccc12 ZINC001670315726 1081510201 /nfs/dbraw/zinc/51/02/01/1081510201.db2.gz GKYSGPFWLIOCEG-UHFFFAOYSA-N 0 3 320.824 2.378 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001671351204 1081514406 /nfs/dbraw/zinc/51/44/06/1081514406.db2.gz JPEQEPNHUYEQNE-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CCC2CCOCC2)CC1 ZINC001671428482 1081516908 /nfs/dbraw/zinc/51/69/08/1081516908.db2.gz AHUZRNMFXRLTLW-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN(C(=O)C[C@H](C)CCC)C1CCN(CCOC)CC1 ZINC001671460694 1081518094 /nfs/dbraw/zinc/51/80/94/1081518094.db2.gz LASJLRKAZXQSNC-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@@H](C)CNC(=O)C#CC1CC1 ZINC001270402201 1081519094 /nfs/dbraw/zinc/51/90/94/1081519094.db2.gz RTFLZRQBTKGAFW-CYBMUJFWSA-N 0 3 317.433 2.362 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)COC)C2 ZINC001671599625 1081525495 /nfs/dbraw/zinc/52/54/95/1081525495.db2.gz ZIFGQNXZFPNSDM-HKUYNNGSSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C=C(CC)CC)CC2)C1 ZINC001671602875 1081525532 /nfs/dbraw/zinc/52/55/32/1081525532.db2.gz HYCIECJYDQAQNB-KRWDZBQOSA-N 0 3 305.466 2.137 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)Cc2ccc(F)cc2)C1 ZINC001671689126 1081533605 /nfs/dbraw/zinc/53/36/05/1081533605.db2.gz NZZCBGWSSUZNPB-SFHVURJKSA-N 0 3 320.408 2.151 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001270506831 1081539884 /nfs/dbraw/zinc/53/98/84/1081539884.db2.gz DHIRWCXPWCSAQS-YJBOKZPZSA-N 0 3 314.433 2.379 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(C)CCN([C@@H](CC)C(N)=O)CC1 ZINC001671848824 1081542801 /nfs/dbraw/zinc/54/28/01/1081542801.db2.gz BSQWCCWOSJIFIA-CABCVRRESA-N 0 3 323.481 2.071 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001671912485 1081549027 /nfs/dbraw/zinc/54/90/27/1081549027.db2.gz NZOQQBFCOFSBPD-LJQANCHMSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001671963210 1081553065 /nfs/dbraw/zinc/55/30/65/1081553065.db2.gz VGUZCORRKIMYMO-OLZOCXBDSA-N 0 3 322.371 2.011 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001671962568 1081553771 /nfs/dbraw/zinc/55/37/71/1081553771.db2.gz INPVCOLHVCFXLA-ZIAGYGMSSA-N 0 3 318.408 2.451 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@]1(C)CCN(CCOCC2CCC2)C1 ZINC001270583261 1081556397 /nfs/dbraw/zinc/55/63/97/1081556397.db2.gz NABRBPPHGDSXMA-LJQANCHMSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001672228232 1081569601 /nfs/dbraw/zinc/56/96/01/1081569601.db2.gz NVVHSBQZNLURLC-JSGCOSHPSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)N(C)CC(F)(F)F)C1 ZINC001270625144 1081571080 /nfs/dbraw/zinc/57/10/80/1081571080.db2.gz VNHHPHKTEIAIBL-GXTWGEPZSA-N 0 3 321.387 2.026 20 30 DEEDHN C=CCCCC(=O)N[C@@]1(C)CCN(CCn2nc(C)cc2C)C1 ZINC001270624911 1081571115 /nfs/dbraw/zinc/57/11/15/1081571115.db2.gz UPTLRPKQZOQARN-SFHVURJKSA-N 0 3 318.465 2.437 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](F)C1 ZINC001672397091 1081593509 /nfs/dbraw/zinc/59/35/09/1081593509.db2.gz YXGAECPHKBPSKU-SJORKVTESA-N 0 3 302.393 2.376 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001482320363 1081610795 /nfs/dbraw/zinc/61/07/95/1081610795.db2.gz TYLLQDCPODHPIU-CKEIUWERSA-N 0 3 302.393 2.270 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@](C)(CNCc2oc(C)nc2C)C1 ZINC001270712372 1081611764 /nfs/dbraw/zinc/61/17/64/1081611764.db2.gz WLZQNNRTIVFFFK-SFHVURJKSA-N 0 3 317.433 2.423 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC2(C1)CCN(CC#CC)CC2 ZINC001673012863 1081732144 /nfs/dbraw/zinc/73/21/44/1081732144.db2.gz DNKHRNSNZJCATI-SFHVURJKSA-N 0 3 318.461 2.163 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)N(C)C ZINC001673103124 1081738478 /nfs/dbraw/zinc/73/84/78/1081738478.db2.gz WKNRHXMOBSNKOB-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNCc2cncs2)C1 ZINC001673304817 1081754190 /nfs/dbraw/zinc/75/41/90/1081754190.db2.gz HBHIOFIIZYKVGL-KBPBESRZSA-N 0 3 323.462 2.062 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H](C)c2c(C)noc2C)CC1 ZINC001670807884 1081755502 /nfs/dbraw/zinc/75/55/02/1081755502.db2.gz RJUDNUQRRNYBEK-LBPRGKRZSA-N 0 3 303.406 2.047 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(Cc2cnccc2C)CC1 ZINC001673363043 1081758571 /nfs/dbraw/zinc/75/85/71/1081758571.db2.gz NNAUTXRMUJMTDT-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1oc(CCC)nc1C ZINC001673482775 1081773062 /nfs/dbraw/zinc/77/30/62/1081773062.db2.gz DXKRXMMXCAHFGE-UHFFFAOYSA-N 0 3 305.422 2.353 20 30 DEEDHN C#CCCCC(=O)N1CCC(C)(NCc2cc(C)n(C)n2)CC1 ZINC001673949456 1081817435 /nfs/dbraw/zinc/81/74/35/1081817435.db2.gz PIUZXVZPBXSMFF-UHFFFAOYSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)Oc1cccc(F)c1 ZINC001496710777 1081826167 /nfs/dbraw/zinc/82/61/67/1081826167.db2.gz SZMRFZXYWAKBRB-AWEZNQCLSA-N 0 3 306.381 2.007 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)C(C)(C)C=C)CC2)C1 ZINC001674048150 1081832192 /nfs/dbraw/zinc/83/21/92/1081832192.db2.gz ZNOYJWGXXYKVDY-MRXNPFEDSA-N 0 3 319.493 2.382 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)COC2CCC(C)CC2)CC1 ZINC001270926577 1081840828 /nfs/dbraw/zinc/84/08/28/1081840828.db2.gz WZVOKIINKZPVEZ-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001270941594 1081847919 /nfs/dbraw/zinc/84/79/19/1081847919.db2.gz VWHORWXILPSJOO-FUHWJXTLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc2O1 ZINC001674492047 1081879797 /nfs/dbraw/zinc/87/97/97/1081879797.db2.gz VKHBRLGRAONKMV-FUHWJXTLSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)cc2cn[nH]c21 ZINC001674487027 1081880664 /nfs/dbraw/zinc/88/06/64/1081880664.db2.gz RJPQHXMLFUPXQU-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC001674487027 1081880667 /nfs/dbraw/zinc/88/06/67/1081880667.db2.gz RJPQHXMLFUPXQU-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)COc1ccc(OC)cc1 ZINC001674496281 1081882113 /nfs/dbraw/zinc/88/21/13/1081882113.db2.gz VBWWJNSSDRLXQA-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccccn1 ZINC001674617497 1081895688 /nfs/dbraw/zinc/89/56/88/1081895688.db2.gz BMIJIZWUASUZEF-CVEARBPZSA-N 0 3 307.397 2.230 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCC(=O)NC1CCCC1 ZINC001271094064 1081907611 /nfs/dbraw/zinc/90/76/11/1081907611.db2.gz UIXUUPXRLJFAMG-KBXCAEBGSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1nc(CN[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)c(C)o1 ZINC001271394413 1082028428 /nfs/dbraw/zinc/02/84/28/1082028428.db2.gz JJVALIBGSNGNAV-CZUORRHYSA-N 0 3 317.433 2.277 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@]1(C)CCOc2ccccc21 ZINC001266428053 1082032943 /nfs/dbraw/zinc/03/29/43/1082032943.db2.gz JUNVITZSJGAYMP-GOSISDBHSA-N 0 3 302.418 2.351 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)C1CCN(CC#CC)CC1 ZINC001279146488 1082082742 /nfs/dbraw/zinc/08/27/42/1082082742.db2.gz IKEFJMWLERTTIE-LPHOPBHVSA-N 0 3 320.477 2.455 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1CCC(F)(F)F ZINC001502903042 1082148798 /nfs/dbraw/zinc/14/87/98/1082148798.db2.gz LJEGVLYBEYMTFU-GHMZBOCLSA-N 0 3 323.384 2.165 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](NCc2ccccn2)C1)OCC ZINC001266595642 1082182685 /nfs/dbraw/zinc/18/26/85/1082182685.db2.gz CGORNKLURSVVRX-ULQDDVLXSA-N 0 3 317.433 2.190 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1COC[C@@H]1c1ccccc1)C1CC1 ZINC001266600310 1082187693 /nfs/dbraw/zinc/18/76/93/1082187693.db2.gz PTAPQXLLQQWQFX-MSOLQXFVSA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2cccc(C)c2)C1 ZINC001271943407 1082203382 /nfs/dbraw/zinc/20/33/82/1082203382.db2.gz XXENPIFNJUHRRX-SFHVURJKSA-N 0 3 302.418 2.128 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001670683140 1082215960 /nfs/dbraw/zinc/21/59/60/1082215960.db2.gz ZVTGLTRHRYMRCF-AWEZNQCLSA-N 0 3 320.437 2.265 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001670683140 1082215968 /nfs/dbraw/zinc/21/59/68/1082215968.db2.gz ZVTGLTRHRYMRCF-AWEZNQCLSA-N 0 3 320.437 2.265 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnn(CC)c1C)C(C)C ZINC001482560842 1082228805 /nfs/dbraw/zinc/22/88/05/1082228805.db2.gz HITXRWQJVDTJDE-CQSZACIVSA-N 0 3 312.845 2.308 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001670719128 1082250920 /nfs/dbraw/zinc/25/09/20/1082250920.db2.gz KUUAGARVEABSIO-DGCLKSJQSA-N 0 3 308.401 2.026 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266672348 1082268746 /nfs/dbraw/zinc/26/87/46/1082268746.db2.gz VBFIJDGFBGZNAK-CALCHBBNSA-N 0 3 300.377 2.380 20 30 DEEDHN CCc1cccc(CN(C)CCN(C)C(=O)CSCC#N)c1 ZINC001482580853 1082272946 /nfs/dbraw/zinc/27/29/46/1082272946.db2.gz WSGCUIDXYZZTKI-UHFFFAOYSA-N 0 3 319.474 2.396 20 30 DEEDHN CC[C@H](SC)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266678514 1082276321 /nfs/dbraw/zinc/27/63/21/1082276321.db2.gz FUAFICLXTGTJCX-BBWFWOEESA-N 0 3 316.470 2.417 20 30 DEEDHN Cc1nscc1C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001266681097 1082280391 /nfs/dbraw/zinc/28/03/91/1082280391.db2.gz OOVCSKUZMJRGAJ-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](NCc2ccns2)C1)OCC ZINC001266688096 1082285263 /nfs/dbraw/zinc/28/52/63/1082285263.db2.gz HOGPLQAPZFEFIU-GUTXKFCHSA-N 0 3 323.462 2.251 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001266708053 1082297378 /nfs/dbraw/zinc/29/73/78/1082297378.db2.gz NJPCGZSUVACHLI-MELADBBJSA-N 0 3 319.453 2.267 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001272033564 1082305484 /nfs/dbraw/zinc/30/54/84/1082305484.db2.gz QKPOWGOFIXIGNG-UHFFFAOYSA-N 0 3 302.462 2.472 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001266750580 1082320065 /nfs/dbraw/zinc/32/00/65/1082320065.db2.gz ZCUMHJWIERTYOJ-PBHICJAKSA-N 0 3 322.474 2.403 20 30 DEEDHN C=C(C)[C@H](CC(=O)NC[C@@H]1CCCN(CC#CC)C1)OCC ZINC001266752296 1082321703 /nfs/dbraw/zinc/32/17/03/1082321703.db2.gz QOWULCGCQABCPX-IRXDYDNUSA-N 0 3 306.450 2.209 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001266842210 1082385482 /nfs/dbraw/zinc/38/54/82/1082385482.db2.gz JDCFWIUYBIOATR-SJORKVTESA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1cc(OC)no1 ZINC001266842950 1082386192 /nfs/dbraw/zinc/38/61/92/1082386192.db2.gz XWNONOODZQMEJR-CQSZACIVSA-N 0 3 321.421 2.163 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(-c2ncon2)c1 ZINC001482627576 1082416524 /nfs/dbraw/zinc/41/65/24/1082416524.db2.gz ZTUQZOJXAILVMJ-UHFFFAOYSA-N 0 3 314.389 2.317 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001482636185 1082423907 /nfs/dbraw/zinc/42/39/07/1082423907.db2.gz QPUZLTHCDJMLRD-UHFFFAOYSA-N 0 3 304.316 2.008 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)COc1ccccc1OC ZINC001482648764 1082432383 /nfs/dbraw/zinc/43/23/83/1082432383.db2.gz VFUQOCZPHQNFTA-UHFFFAOYSA-N 0 3 306.406 2.040 20 30 DEEDHN Cc1cccc(OCCN(C)C[C@H](C)NC(=O)C#CC2CC2)c1 ZINC001669811799 1082445816 /nfs/dbraw/zinc/44/58/16/1082445816.db2.gz QXWOIWUXINHLHB-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc(-c2ccccc2)ccn1 ZINC001266911537 1082449268 /nfs/dbraw/zinc/44/92/68/1082449268.db2.gz NQRNICVCJXSRMK-UHFFFAOYSA-N 0 3 307.397 2.434 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nccs1 ZINC001482674404 1082460255 /nfs/dbraw/zinc/46/02/55/1082460255.db2.gz DSSQZUVSHAFHFL-ZIAGYGMSSA-N 0 3 305.447 2.321 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](C)OCc1ccc(C)cc1 ZINC001266959796 1082475900 /nfs/dbraw/zinc/47/59/00/1082475900.db2.gz XAWCOQGECCORLI-HZPDHXFCSA-N 0 3 302.418 2.018 20 30 DEEDHN CCCN(CCNC(=O)[C@@H](C)OC)Cc1ccc(C#N)c(F)c1 ZINC001493278619 1082478520 /nfs/dbraw/zinc/47/85/20/1082478520.db2.gz AXHLVMDGFIISFY-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001266973672 1082484676 /nfs/dbraw/zinc/48/46/76/1082484676.db2.gz AMCDYNFOEVNGIV-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@@H](C)CSC ZINC001482817213 1082521842 /nfs/dbraw/zinc/52/18/42/1082521842.db2.gz SEVIMYALOOOUSC-ONGXEEELSA-N 0 3 323.300 2.379 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)c1cccnc1 ZINC001482907711 1082550452 /nfs/dbraw/zinc/55/04/52/1082550452.db2.gz VINORXYHPBTWBF-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN N#CCOc1ccc(CNC/C=C/CNC(=O)C2CCC2)cc1 ZINC001482976741 1082591751 /nfs/dbraw/zinc/59/17/51/1082591751.db2.gz UHZVOCFXVRLSOC-OWOJBTEDSA-N 0 3 313.401 2.151 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001272138796 1082602815 /nfs/dbraw/zinc/60/28/15/1082602815.db2.gz YSLBPOHHPOECKF-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccoc1Br ZINC001272145852 1082604672 /nfs/dbraw/zinc/60/46/72/1082604672.db2.gz QVLSPRFNYLLMCV-UHFFFAOYSA-N 0 3 313.195 2.069 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C/CNCc1csc(C)c1 ZINC001483001905 1082618181 /nfs/dbraw/zinc/61/81/81/1082618181.db2.gz HSFHASJFSRUKJY-JFDDCEBESA-N 0 3 308.447 2.146 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)c1cccc2n[n-]nc21 ZINC001483012581 1082624572 /nfs/dbraw/zinc/62/45/72/1082624572.db2.gz OZJAGQHGYINQQJ-CFHLNLSMSA-N 0 3 313.405 2.188 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)NC/C=C\CNCC#CCOC)CC1 ZINC001483087273 1082699048 /nfs/dbraw/zinc/69/90/48/1082699048.db2.gz PCGXKXGCBZHDTG-DBUSCRMASA-N 0 3 306.450 2.115 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001483087240 1082699665 /nfs/dbraw/zinc/69/96/65/1082699665.db2.gz LHFGUCXHRLRZGE-YVACAVLKSA-N 0 3 318.392 2.016 20 30 DEEDHN Cc1ncccc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001483161940 1082783937 /nfs/dbraw/zinc/78/39/37/1082783937.db2.gz GNWPVTOZKZQUOZ-OAHLLOKOSA-N 0 3 307.397 2.150 20 30 DEEDHN Cc1ccncc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001483217091 1082819255 /nfs/dbraw/zinc/81/92/55/1082819255.db2.gz MXNUDIUFIGGATP-INIZCTEOSA-N 0 3 307.397 2.150 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1CC(C)C1 ZINC001483219611 1082822334 /nfs/dbraw/zinc/82/23/34/1082822334.db2.gz SORMMWIHCIDGHQ-LXVYMNJGSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC1(F)F ZINC001483238264 1083032975 /nfs/dbraw/zinc/03/29/75/1083032975.db2.gz FLNBLDSGCDRIAP-WFASDCNBSA-N 0 3 324.346 2.317 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1nccs1 ZINC001483277134 1083068668 /nfs/dbraw/zinc/06/86/68/1083068668.db2.gz HQTLDNSZQNUOOE-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)CCCc1ccc(C)s1 ZINC001483300862 1083081737 /nfs/dbraw/zinc/08/17/37/1083081737.db2.gz CBBHHINYDDCGOK-AWEZNQCLSA-N 0 3 322.474 2.123 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)COC(C)(C)C ZINC001483327517 1083102815 /nfs/dbraw/zinc/10/28/15/1083102815.db2.gz JNQYFNYRNIWAQX-AWEZNQCLSA-N 0 3 317.433 2.310 20 30 DEEDHN CC/C(C)=C\C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107392997 1083369392 /nfs/dbraw/zinc/36/93/92/1083369392.db2.gz CKBBIULPPGFPNW-HQIQMZRMSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107402198 1083375453 /nfs/dbraw/zinc/37/54/53/1083375453.db2.gz JWYQUYVYHGPYMV-FOGWMIFDSA-N 0 3 324.852 2.138 20 30 DEEDHN N#Cc1ccc(F)c(C(=O)N2CC3(C2)CN(C2CCCC2)C3)c1 ZINC001276533861 1083483070 /nfs/dbraw/zinc/48/30/70/1083483070.db2.gz LVWHRSVBEXGEHJ-UHFFFAOYSA-N 0 3 313.376 2.398 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC=CCC2)CCOCC1 ZINC001281208838 1083571412 /nfs/dbraw/zinc/57/14/12/1083571412.db2.gz SDFAVMCRSYVPQP-CQSZACIVSA-N 0 3 312.841 2.350 20 30 DEEDHN N#Cc1cc[nH]c1CN1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001276837764 1083640432 /nfs/dbraw/zinc/64/04/32/1083640432.db2.gz GSTREGCWLCVAPW-SFHVURJKSA-N 0 3 324.432 2.098 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001276851368 1083646265 /nfs/dbraw/zinc/64/62/65/1083646265.db2.gz BFPKTGVMDDNGTM-DOTOQJQBSA-N 0 3 304.434 2.106 20 30 DEEDHN C=CCCCCN1C[C@@H]2C(C(=O)N3CCCC34CC4)=NO[C@@H]2C1 ZINC001276885397 1083664172 /nfs/dbraw/zinc/66/41/72/1083664172.db2.gz KEYDSLVTFILWBR-LSDHHAIUSA-N 0 3 317.433 2.184 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CC2CC(OCC)C2)C1 ZINC001276923787 1083681040 /nfs/dbraw/zinc/68/10/40/1083681040.db2.gz NRGBLKGOIJHTSV-HWOWSKLDSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCCCN1CC2(C1)SCC[C@H]2C(=O)N1CCCC12CC2 ZINC001276980123 1083715968 /nfs/dbraw/zinc/71/59/68/1083715968.db2.gz RNBWWHMYIFYTOD-HNNXBMFYSA-N 0 3 318.486 2.362 20 30 DEEDHN Cc1ccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)cc1C#N ZINC001276990841 1083722996 /nfs/dbraw/zinc/72/29/96/1083722996.db2.gz YIXQEAJPFKSKIQ-ALXJQNPVSA-N 0 3 311.429 2.413 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)C3CC=CC3)CC2)ccc1F ZINC001277027622 1083737649 /nfs/dbraw/zinc/73/76/49/1083737649.db2.gz DEJUSABGJLOYHJ-UHFFFAOYSA-N 0 3 313.376 2.402 20 30 DEEDHN C=CCCC(=O)N(C)C1CC(NCc2cccc(OC)n2)C1 ZINC001279208858 1083762212 /nfs/dbraw/zinc/76/22/12/1083762212.db2.gz KUVNYAALDZWAGH-UHFFFAOYSA-N 0 3 303.406 2.135 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2ccc(OCC)cc2)CC1 ZINC001277101413 1083774165 /nfs/dbraw/zinc/77/41/65/1083774165.db2.gz DWZMNBZEDBZEDH-UHFFFAOYSA-N 0 3 314.429 2.280 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107867071 1083787600 /nfs/dbraw/zinc/78/76/00/1083787600.db2.gz ACYPPNUEDQFKBK-YJBOKZPZSA-N 0 3 319.449 2.201 20 30 DEEDHN C[C@H]1C[C@@H]1CN1CCc2nc(C(=O)NC3(C#N)CCC3)ccc2C1 ZINC001277143437 1083805633 /nfs/dbraw/zinc/80/56/33/1083805633.db2.gz VMNJBRRTGOCJNF-DZGCQCFKSA-N 0 3 324.428 2.272 20 30 DEEDHN C=CCCCCCN1CC2(C[C@H]2C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001277150884 1083811047 /nfs/dbraw/zinc/81/10/47/1083811047.db2.gz AYRWHXVHGWYONF-INIZCTEOSA-N 0 3 318.461 2.038 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107892119 1083840159 /nfs/dbraw/zinc/84/01/59/1083840159.db2.gz SMZOXCPPASNBHU-MAUKXSAKSA-N 0 3 320.433 2.384 20 30 DEEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)c1ccnnc1 ZINC001277305720 1083904329 /nfs/dbraw/zinc/90/43/29/1083904329.db2.gz NMLXIRXMVYWFIQ-CQSZACIVSA-N 0 3 323.400 2.037 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)CC(=O)NC(C)C)CC1 ZINC001277403701 1083952324 /nfs/dbraw/zinc/95/23/24/1083952324.db2.gz MFEMRDUBTWJAOP-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)CC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001490991076 1083991363 /nfs/dbraw/zinc/99/13/63/1083991363.db2.gz JEUXPEOHXWIAJO-GASCZTMLSA-N 0 3 303.381 2.480 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2c(C)noc2C)C1 ZINC001491045890 1084033010 /nfs/dbraw/zinc/03/30/10/1084033010.db2.gz OZJUSYVACFTQKA-GASCZTMLSA-N 0 3 303.406 2.222 20 30 DEEDHN Cc1ccnc(N2CC3(C2)CCN(Cc2cc(C#N)n(C)c2)C3)c1 ZINC001277679414 1084091368 /nfs/dbraw/zinc/09/13/68/1084091368.db2.gz DEXWALUUACPOFV-UHFFFAOYSA-N 0 3 321.428 2.313 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cscn1)NCC#Cc1ccccc1 ZINC001277772427 1084142428 /nfs/dbraw/zinc/14/24/28/1084142428.db2.gz XSWKCILUSFTUTF-AWEZNQCLSA-N 0 3 313.426 2.245 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)COCCCC)C1 ZINC001670923704 1084148378 /nfs/dbraw/zinc/14/83/78/1084148378.db2.gz OIEWXDKKFYBWKV-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C1(C)CC1 ZINC001277827137 1084165647 /nfs/dbraw/zinc/16/56/47/1084165647.db2.gz VMHKTFDWSOMLKW-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cccc(CCN2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)c1 ZINC001277862405 1084179554 /nfs/dbraw/zinc/17/95/54/1084179554.db2.gz KUJJDBOLUMJCMK-AZUAARDMSA-N 0 3 323.440 2.374 20 30 DEEDHN Cc1cccc(CCN2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001277861210 1084180387 /nfs/dbraw/zinc/18/03/87/1084180387.db2.gz ANSXIEUZWAHRDX-GOSISDBHSA-N 0 3 323.440 2.232 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1cccc2cnccc21 ZINC001277864274 1084182326 /nfs/dbraw/zinc/18/23/26/1084182326.db2.gz VIRHYNUBAZEFOZ-OAHLLOKOSA-N 0 3 309.413 2.237 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC(C)(C)C ZINC001277865854 1084183268 /nfs/dbraw/zinc/18/32/68/1084183268.db2.gz KFYXIFNOJGWQER-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)COc2ccc(C)cc2)C1 ZINC001491299239 1084221426 /nfs/dbraw/zinc/22/14/26/1084221426.db2.gz FVGYHFWRLGHOCW-IAGOWNOFSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C2=CCCC2)CC2(CCOCC2)C1 ZINC001089937303 1084225282 /nfs/dbraw/zinc/22/52/82/1084225282.db2.gz WBBXREYBCUTGOT-INIZCTEOSA-N 0 3 304.434 2.270 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cn4cccc(C)c4n3)C2)C1=O ZINC001272820667 1084258630 /nfs/dbraw/zinc/25/86/30/1084258630.db2.gz DASPSLGZSDTBBA-IBGZPJMESA-N 0 3 324.428 2.253 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001491470707 1084335547 /nfs/dbraw/zinc/33/55/47/1084335547.db2.gz TYBQDIRLIDCPFD-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCN(C)Cc1ccccn1 ZINC001235245183 1084357336 /nfs/dbraw/zinc/35/73/36/1084357336.db2.gz LIJXWZMCNBLFGB-HNNXBMFYSA-N 0 3 305.422 2.001 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cn4ccccc4n3)C2)C1=O ZINC001272846758 1084374167 /nfs/dbraw/zinc/37/41/67/1084374167.db2.gz JQZYPWPLGICWMD-LJQANCHMSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc2cc[nH]c2c1 ZINC001272852948 1084379652 /nfs/dbraw/zinc/37/96/52/1084379652.db2.gz DCRIXWAVWUZHBB-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CC2(CCOCC2)C1 ZINC001089961555 1084456525 /nfs/dbraw/zinc/45/65/25/1084456525.db2.gz LPHFLDBPTKEOGB-YESZJQIVSA-N 0 3 318.461 2.206 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1c(C)ncn1C)C2 ZINC001235537943 1084459753 /nfs/dbraw/zinc/45/97/53/1084459753.db2.gz LCHRDJMLOADWNQ-QZTJIDSGSA-N 0 3 319.449 2.302 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001235634054 1084483108 /nfs/dbraw/zinc/48/31/08/1084483108.db2.gz TYCMZLJEPBULQU-HNNXBMFYSA-N 0 3 320.437 2.299 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001235684876 1084497872 /nfs/dbraw/zinc/49/78/72/1084497872.db2.gz MBJHMDPWCMNBEM-HNNXBMFYSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001078099547 1084537476 /nfs/dbraw/zinc/53/74/76/1084537476.db2.gz OIWIDMOBLYGILL-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001078282247 1084629441 /nfs/dbraw/zinc/62/94/41/1084629441.db2.gz RILNZYVQBMEOEE-IAGOWNOFSA-N 0 3 316.445 2.010 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@@H](NC(C)=O)C12CCC2 ZINC001078514155 1084719520 /nfs/dbraw/zinc/71/95/20/1084719520.db2.gz JPOHXQIDNBQRKQ-IAGOWNOFSA-N 0 3 313.401 2.104 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2c(C)cnn2C)C12CCC2 ZINC001078704062 1084816695 /nfs/dbraw/zinc/81/66/95/1084816695.db2.gz ZXPJIYPVNTZBTE-CHWSQXEVSA-N 0 3 322.840 2.112 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3sccc3C)C2)OCC1=O ZINC001272932028 1084853154 /nfs/dbraw/zinc/85/31/54/1084853154.db2.gz ISYUNLFRECTACA-INIZCTEOSA-N 0 3 306.431 2.046 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)NCc1cc(C)ccc1F ZINC001485869207 1084944021 /nfs/dbraw/zinc/94/40/21/1084944021.db2.gz VCDCNQOYFLCHGU-KSSFIOAISA-N 0 3 322.424 2.398 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001485877301 1084959450 /nfs/dbraw/zinc/95/94/50/1084959450.db2.gz GUBVROHKYWMDIS-CQSZACIVSA-N 0 3 315.417 2.027 20 30 DEEDHN CCC[C@H](OC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001485908355 1084974572 /nfs/dbraw/zinc/97/45/72/1084974572.db2.gz QEOIRNFXWKTYDM-AEFFLSMTSA-N 0 3 316.445 2.290 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](CO)N[C@@H](C)c1cccc(Cl)c1 ZINC001485995080 1085028402 /nfs/dbraw/zinc/02/84/02/1085028402.db2.gz XWKKFSANEFFBMJ-XJKSGUPXSA-N 0 3 322.836 2.127 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001486115718 1085073073 /nfs/dbraw/zinc/07/30/73/1085073073.db2.gz SWMTUMNQLKHFFW-IUODEOHRSA-N 0 3 311.385 2.352 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCOCc2ccccc2)C1 ZINC001486122278 1085076547 /nfs/dbraw/zinc/07/65/47/1085076547.db2.gz QDJWMSNWELEVJJ-AEFFLSMTSA-N 0 3 314.429 2.196 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001486193418 1085119528 /nfs/dbraw/zinc/11/95/28/1085119528.db2.gz BWHLQFQYPZTZFI-CABCVRRESA-N 0 3 302.422 2.126 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000960255857 1085166536 /nfs/dbraw/zinc/16/65/36/1085166536.db2.gz MNASQEKCNRYRNS-SJLPKXTDSA-N 0 3 323.396 2.349 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000960262149 1085171791 /nfs/dbraw/zinc/17/17/91/1085171791.db2.gz ZYIOVAXAAXOPPG-QZTJIDSGSA-N 0 3 320.396 2.448 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCCOC1 ZINC000960335423 1085203444 /nfs/dbraw/zinc/20/34/44/1085203444.db2.gz ZNNUAIXOGGTKLM-LSBZLQRGSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(F)c2occc21 ZINC001486359356 1085217896 /nfs/dbraw/zinc/21/78/96/1085217896.db2.gz VBYKDYMUMQSPBU-GFCCVEGCSA-N 0 3 320.364 2.123 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)CCCC[C@H](C)CC)C1=O ZINC001128169038 1085278780 /nfs/dbraw/zinc/27/87/80/1085278780.db2.gz ZCROQGCSBYKYJB-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)N[C@@H](CNCc1ccnn1C)C(C)(C)C ZINC001486409573 1085279977 /nfs/dbraw/zinc/27/99/77/1085279977.db2.gz FQQOZVNAYFCOCA-HNNXBMFYSA-N 0 3 306.454 2.397 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)Cc2cccc(F)c2)CC1 ZINC001486450610 1085321674 /nfs/dbraw/zinc/32/16/74/1085321674.db2.gz MTVRREFTPDQWLI-AWEZNQCLSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(N[C@@H](C)c2cnccn2)C1 ZINC001486459341 1085329415 /nfs/dbraw/zinc/32/94/15/1085329415.db2.gz NPQVKBNEAKJPBE-FHERZECASA-N 0 3 314.433 2.310 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c(C2CC2)c1Cl ZINC000960792396 1085451452 /nfs/dbraw/zinc/45/14/52/1085451452.db2.gz QBYGFISUCZKKLT-YABSGUDNSA-N 0 3 320.824 2.177 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)COC)CC2)C1 ZINC000961289531 1085674065 /nfs/dbraw/zinc/67/40/65/1085674065.db2.gz XNRWTRHZMYDRJA-HNNXBMFYSA-N 0 3 314.857 2.336 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsc2ccc(C)cc21 ZINC000961481287 1085749876 /nfs/dbraw/zinc/74/98/76/1085749876.db2.gz SFOVWOGVKMEFJX-NHAGDIPZSA-N 0 3 313.426 2.451 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)COC2CCCCC2)[C@H](OC)C1 ZINC001212502542 1085771760 /nfs/dbraw/zinc/77/17/60/1085771760.db2.gz GRYMSWIIFDXESN-IAGOWNOFSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC001128418479 1085775427 /nfs/dbraw/zinc/77/54/27/1085775427.db2.gz NZRUNVYTYGLJPZ-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001272992832 1085827611 /nfs/dbraw/zinc/82/76/11/1085827611.db2.gz GPCOXWVRCJOAAV-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001078872624 1085841660 /nfs/dbraw/zinc/84/16/60/1085841660.db2.gz AERJZSRVLFJUFW-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H](C)CC)no1 ZINC000961972056 1085926086 /nfs/dbraw/zinc/92/60/86/1085926086.db2.gz JXNACTJYXGDMRJ-BCUIYNNISA-N 0 3 303.406 2.424 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnoc1-c1ccccc1 ZINC000962176922 1085995293 /nfs/dbraw/zinc/99/52/93/1085995293.db2.gz DTUULNBZAAOAMD-ZSHCYNCHSA-N 0 3 309.369 2.188 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2ncc(C(C)(C)C)o2)CCC1 ZINC001273100229 1086176967 /nfs/dbraw/zinc/17/69/67/1086176967.db2.gz RUKNFILOLIRJEY-UHFFFAOYSA-N 0 3 317.433 2.166 20 30 DEEDHN CCc1ncsc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001128893963 1086439748 /nfs/dbraw/zinc/43/97/48/1086439748.db2.gz AQVDSTLMUVKLPE-UHFFFAOYSA-N 0 3 320.443 2.158 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)CCC1 ZINC001273179526 1087197062 /nfs/dbraw/zinc/19/70/62/1087197062.db2.gz IKKFFZXNLWAMGC-CVEARBPZSA-N 0 3 306.450 2.089 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2ccccc2[nH]1 ZINC001273182068 1087211193 /nfs/dbraw/zinc/21/11/93/1087211193.db2.gz QSNSMKJNLIJIIZ-QZTJIDSGSA-N 0 3 307.397 2.366 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccc(F)cc2C)CCC1 ZINC001273185584 1087235785 /nfs/dbraw/zinc/23/57/85/1087235785.db2.gz AHBKQGRRVRRSHL-UHFFFAOYSA-N 0 3 318.392 2.026 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CN(CC)CC)CCC1 ZINC001064396863 1087590591 /nfs/dbraw/zinc/59/05/91/1087590591.db2.gz DXZJRULUSTZPFI-KRWDZBQOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)Cn1cc(C2CC2)cn1 ZINC001276310163 1088382838 /nfs/dbraw/zinc/38/28/38/1088382838.db2.gz DVTIIEXWVHLQPW-QGZVFWFLSA-N 0 3 316.449 2.307 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001079882992 1088472184 /nfs/dbraw/zinc/47/21/84/1088472184.db2.gz UJHUHMWUUGYPEP-HYVNUMGLSA-N 0 3 313.445 2.233 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001080118301 1088613969 /nfs/dbraw/zinc/61/39/69/1088613969.db2.gz YZCQXRJFUPPJGF-CXAGYDPISA-N 0 3 312.417 2.118 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001080210130 1088682067 /nfs/dbraw/zinc/68/20/67/1088682067.db2.gz SWGMDSXIYBVESV-CRAIPNDOSA-N 0 3 324.428 2.499 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001080336730 1088827678 /nfs/dbraw/zinc/82/76/78/1088827678.db2.gz QJFMPTLHEAZMFJ-OAUYIBNBSA-N 0 3 302.393 2.478 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2csc3ccccc23)C1 ZINC000958297191 1088908932 /nfs/dbraw/zinc/90/89/32/1088908932.db2.gz OXIJLMICXMTIIG-SWLSCSKDSA-N 0 3 316.426 2.110 20 30 DEEDHN C[C@@H](C(=O)NC[C@@H]1CCCCCN1CC#N)N1CCCCCC1 ZINC001276319727 1088971943 /nfs/dbraw/zinc/97/19/43/1088971943.db2.gz MNOVMSIDFHFAEQ-IRXDYDNUSA-N 0 3 320.481 2.135 20 30 DEEDHN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21)C1CC1 ZINC000958496384 1089016926 /nfs/dbraw/zinc/01/69/26/1089016926.db2.gz VQVZUPRBIOEYLI-QTXLCTLRSA-N 0 3 309.413 2.151 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC000958554682 1089054233 /nfs/dbraw/zinc/05/42/33/1089054233.db2.gz HLFFNSSDWZMNPC-GOEBONIOSA-N 0 3 320.433 2.310 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001080584882 1089080816 /nfs/dbraw/zinc/08/08/16/1089080816.db2.gz VMMMTUICGHIMMA-UKRRQHHQSA-N 0 3 317.433 2.255 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000958699785 1089143857 /nfs/dbraw/zinc/14/38/57/1089143857.db2.gz ZSZZJERJCDHSMW-QWHCGFSZSA-N 0 3 322.474 2.254 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000958740090 1089159180 /nfs/dbraw/zinc/15/91/80/1089159180.db2.gz JDWGRPFJZBHTEA-WINGESFGSA-N 0 3 320.477 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC001080842473 1089217315 /nfs/dbraw/zinc/21/73/15/1089217315.db2.gz MUJNFKLZSWQBIB-RHSMWYFYSA-N 0 3 301.434 2.379 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001080873954 1089228142 /nfs/dbraw/zinc/22/81/42/1089228142.db2.gz MUIVUSGFMPEYHO-RHSMWYFYSA-N 0 3 313.445 2.305 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001081047418 1089321909 /nfs/dbraw/zinc/32/19/09/1089321909.db2.gz CETAPVJSKZHPCS-XJKCOSOUSA-N 0 3 318.465 2.153 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1ccccc1 ZINC001081085977 1089337388 /nfs/dbraw/zinc/33/73/88/1089337388.db2.gz YQTWTJLUYVJOEI-ZWKOTPCHSA-N 0 3 308.381 2.419 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1c1ccccc1 ZINC001081096565 1089345927 /nfs/dbraw/zinc/34/59/27/1089345927.db2.gz BPIQWPWBOGINOT-DLBZAZTESA-N 0 3 323.371 2.052 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1c1ccccc1 ZINC001081178033 1089367579 /nfs/dbraw/zinc/36/75/79/1089367579.db2.gz GFQGISDEHQNFSI-ZWKOTPCHSA-N 0 3 308.425 2.394 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccc(F)c2F)[C@H](OC)C1 ZINC001082077945 1089710512 /nfs/dbraw/zinc/71/05/12/1089710512.db2.gz MRFMVVFTFWQBHP-HUUCEWRRSA-N 0 3 324.371 2.360 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@H](OC)C1 ZINC001082210940 1089773471 /nfs/dbraw/zinc/77/34/71/1089773471.db2.gz WQQAUIWADRRCRG-SQWLQELKSA-N 0 3 306.406 2.083 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(C2CC2)nc1C ZINC000959856847 1089797598 /nfs/dbraw/zinc/79/75/98/1089797598.db2.gz NDAXIBMNRLAVLO-ITGUQSILSA-N 0 3 303.431 2.175 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C(C)C)oc1C ZINC000959878027 1089816378 /nfs/dbraw/zinc/81/63/78/1089816378.db2.gz VVFOYWWHDZNFTC-NHAGDIPZSA-N 0 3 303.406 2.343 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(CC)cc2)[C@H](OC)C1 ZINC001082353240 1089872432 /nfs/dbraw/zinc/87/24/32/1089872432.db2.gz MNTFOTOVBQOINN-IAGOWNOFSA-N 0 3 302.418 2.254 20 30 DEEDHN CC[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001410060162 1089899457 /nfs/dbraw/zinc/89/94/57/1089899457.db2.gz WYWWKZYPZINSMV-XDKFSHSGSA-N 0 3 311.429 2.398 20 30 DEEDHN C=C1CCC(C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)CC1 ZINC001083184185 1090179948 /nfs/dbraw/zinc/17/99/48/1090179948.db2.gz WIKRTDZYLPAURO-ZWKOTPCHSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001083948947 1090180567 /nfs/dbraw/zinc/18/05/67/1090180567.db2.gz NEVWXXJQCWRZJG-ZNMIVQPWSA-N 0 3 322.474 2.288 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001083942526 1090181032 /nfs/dbraw/zinc/18/10/32/1090181032.db2.gz UQHRRLNOABKHPC-OLZOCXBDSA-N 0 3 323.462 2.008 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)[C@H]3CCCCO3)[C@@H]2C1 ZINC001084350336 1090273198 /nfs/dbraw/zinc/27/31/98/1090273198.db2.gz XFGHXVNEHIJYRU-BRWVUGGUSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3nc(C)sc3C)[C@@H]2C1 ZINC001084442660 1090302514 /nfs/dbraw/zinc/30/25/14/1090302514.db2.gz MJUKFIOQWJCOSW-ZIAGYGMSSA-N 0 3 305.447 2.482 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccc(F)cc43)[C@@H]2C1 ZINC001084611643 1090348421 /nfs/dbraw/zinc/34/84/21/1090348421.db2.gz XJEPHALEMGVGIU-FHLIZLRMSA-N 0 3 312.388 2.021 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3c(F)cccc3F)[C@@H]2C1 ZINC001084617086 1090350562 /nfs/dbraw/zinc/35/05/62/1090350562.db2.gz KQVSDHIEOJHWOJ-CXAGYDPISA-N 0 3 318.367 2.063 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001084700130 1090401171 /nfs/dbraw/zinc/40/11/71/1090401171.db2.gz RGRUOYCHAZVQKU-CGTJXYLNSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3c(C)[nH]nc3C(C)C)[C@@H]2C1 ZINC001084764076 1090434301 /nfs/dbraw/zinc/43/43/01/1090434301.db2.gz PGHQONMLDCVZDR-HUUCEWRRSA-N 0 3 314.433 2.011 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3c(C)n[nH]c3C(C)C)[C@@H]2C1 ZINC001084764076 1090434305 /nfs/dbraw/zinc/43/43/05/1090434305.db2.gz PGHQONMLDCVZDR-HUUCEWRRSA-N 0 3 314.433 2.011 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001098916955 1090449016 /nfs/dbraw/zinc/44/90/16/1090449016.db2.gz VTGNJCBEURAPOL-CVEARBPZSA-N 0 3 316.449 2.074 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3COc4ccccc43)[C@@H]2C1 ZINC001084867671 1090483348 /nfs/dbraw/zinc/48/33/48/1090483348.db2.gz YGPAMMKWERBKNH-HYVNUMGLSA-N 0 3 312.413 2.271 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](OC)C3CCCCC3)[C@@H]2C1 ZINC001084876887 1090491461 /nfs/dbraw/zinc/49/14/61/1090491461.db2.gz CIJVGQFZNUNNHK-KURKYZTESA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC3CC(OCC)C3)C[C@@H]21 ZINC001085014664 1090589915 /nfs/dbraw/zinc/58/99/15/1090589915.db2.gz UYAPUWHXZLPPEY-FPQWYMTMSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CCC(OC)CC3)C[C@@H]21 ZINC001085019530 1090593955 /nfs/dbraw/zinc/59/39/55/1090593955.db2.gz SNIWYUKOPDFJIA-VXLLPVPCSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C[C@@H]21 ZINC001085040066 1090609264 /nfs/dbraw/zinc/60/92/64/1090609264.db2.gz IWCXMZVMVZUZMP-SPUZQDLCSA-N 0 3 311.429 2.294 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(CC)n[nH]1 ZINC001085137261 1090668815 /nfs/dbraw/zinc/66/88/15/1090668815.db2.gz FDFYEKMOUMLOPO-CHWSQXEVSA-N 0 3 310.829 2.355 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2)CCO1 ZINC001273350882 1091075261 /nfs/dbraw/zinc/07/52/61/1091075261.db2.gz GNBTVNRWOLRIRQ-GOSISDBHSA-N 0 3 314.429 2.264 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C(C)(C)CCCCC)CCO1 ZINC001273358856 1091085312 /nfs/dbraw/zinc/08/53/12/1091085312.db2.gz MWZNHRHQWYBYQF-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3cccnc3NC)CC2)C1=O ZINC001273380152 1091115137 /nfs/dbraw/zinc/11/51/37/1091115137.db2.gz CFCBRPWAXNNKIM-UHFFFAOYSA-N 0 3 314.433 2.124 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCOCC(C)C)C1 ZINC001279189443 1091210932 /nfs/dbraw/zinc/21/09/32/1091210932.db2.gz HIKCNTCWYGWJBG-UHFFFAOYSA-N 0 3 302.846 2.381 20 30 DEEDHN CCCCN1CC[C@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274579994 1091310372 /nfs/dbraw/zinc/31/03/72/1091310372.db2.gz WOSBCIJHQFFGLD-SFHVURJKSA-N 0 3 312.417 2.178 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001274599245 1091318203 /nfs/dbraw/zinc/31/82/03/1091318203.db2.gz HFJYMADCUBVHST-YVACAVLKSA-N 0 3 300.402 2.084 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(CCOCC)CCC2)C[C@@H]1C ZINC001274623851 1091334670 /nfs/dbraw/zinc/33/46/70/1091334670.db2.gz NQEISVKEDLAMLV-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1ncc(CNC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)s1 ZINC001411206286 1091416524 /nfs/dbraw/zinc/41/65/24/1091416524.db2.gz GWBANZKTLCJGCQ-GXFFZTMASA-N 0 3 308.451 2.232 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cnc(C)cc1C)CC2 ZINC001274829383 1091435866 /nfs/dbraw/zinc/43/58/66/1091435866.db2.gz BKPFOEQSWLVNGH-KRWDZBQOSA-N 0 3 311.429 2.050 20 30 DEEDHN C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)COC ZINC001274847797 1091443710 /nfs/dbraw/zinc/44/37/10/1091443710.db2.gz QGJHWVPLWVXQOU-QGZVFWFLSA-N 0 3 302.418 2.315 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001274867650 1091456429 /nfs/dbraw/zinc/45/64/29/1091456429.db2.gz MAFAGJKFTVUIHA-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C=CCC=C1C ZINC001274958330 1091492335 /nfs/dbraw/zinc/49/23/35/1091492335.db2.gz BGJIWHMMQRHVPN-KSZLIROESA-N 0 3 316.445 2.387 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(C)[nH]cc1NC(C)=O ZINC001275121984 1091572071 /nfs/dbraw/zinc/57/20/71/1091572071.db2.gz ULTJAYZZKIEEDF-CQSZACIVSA-N 0 3 318.421 2.004 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)C(F)(F)F ZINC001275135289 1091576869 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C#CCN1CCC[C@@H](N(C)C(=O)c2ccnc(OCC)c2)CC1 ZINC000948763708 1091921909 /nfs/dbraw/zinc/92/19/09/1091921909.db2.gz ZGPVSUBCXHMAEI-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccncc2Cl)CC1 ZINC000948808484 1091947331 /nfs/dbraw/zinc/94/73/31/1091947331.db2.gz HSKDDKZZPKVRID-CYBMUJFWSA-N 0 3 305.809 2.295 20 30 DEEDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273606583 1091952985 /nfs/dbraw/zinc/95/29/85/1091952985.db2.gz YTBDKQWNHRAGJX-KDOFPFPSSA-N 0 3 312.417 2.176 20 30 DEEDHN N#Cc1cncc(CN2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c1 ZINC001273618808 1091957891 /nfs/dbraw/zinc/95/78/91/1091957891.db2.gz BYALHPBRHTVBQN-IBGZPJMESA-N 0 3 324.428 2.320 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C1(c2cccc(OC)c2)CC1 ZINC001273628475 1091961683 /nfs/dbraw/zinc/96/16/83/1091961683.db2.gz IIUYNTSZIPYQLP-UHFFFAOYSA-N 0 3 314.429 2.188 20 30 DEEDHN CC(C)CN1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273631571 1091965141 /nfs/dbraw/zinc/96/51/41/1091965141.db2.gz 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C=CCOCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001275780209 1092109416 /nfs/dbraw/zinc/10/94/16/1092109416.db2.gz CSPGGNVGFZZUBA-CXAGYDPISA-N 0 3 320.408 2.452 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001273834220 1092286324 /nfs/dbraw/zinc/28/63/24/1092286324.db2.gz UPZSSKYRBPTZCB-RDJZCZTQSA-N 0 3 312.429 2.252 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2c(C)n[nH]c2C)C1 ZINC001494922212 1092300684 /nfs/dbraw/zinc/30/06/84/1092300684.db2.gz UMLIHUJHECNYIK-OAHLLOKOSA-N 0 3 304.438 2.068 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3cc(C)c(C)s3)C2)OCC1=O ZINC001273850694 1092311259 /nfs/dbraw/zinc/31/12/59/1092311259.db2.gz GVRBUVXHSSOJMV-KRWDZBQOSA-N 0 3 320.458 2.354 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1csc(Cl)n1 ZINC001275970798 1092402969 /nfs/dbraw/zinc/40/29/69/1092402969.db2.gz RJSMSRIAIFVUQV-SNVBAGLBSA-N 0 3 317.842 2.049 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccnc1OCC(C)C ZINC001275977445 1092425194 /nfs/dbraw/zinc/42/51/94/1092425194.db2.gz RYIZXZACSYGRFP-AWEZNQCLSA-N 0 3 305.422 2.353 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1csc(C)c1)CC2 ZINC001273943275 1092527504 /nfs/dbraw/zinc/52/75/04/1092527504.db2.gz YOPRUEWENKQMSG-HNNXBMFYSA-N 0 3 302.443 2.408 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001488694305 1092691940 /nfs/dbraw/zinc/69/19/40/1092691940.db2.gz UUCHPLSGZAGURS-UKRRQHHQSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001488817129 1092764043 /nfs/dbraw/zinc/76/40/43/1092764043.db2.gz VXNLGLSGFJVVOV-MQMHXKEQSA-N 0 3 324.371 2.152 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001488824794 1092768761 /nfs/dbraw/zinc/76/87/61/1092768761.db2.gz XEBFSFJJBWDRPP-WGSAOQKQSA-N 0 3 308.425 2.326 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001488904597 1092807553 /nfs/dbraw/zinc/80/75/53/1092807553.db2.gz KSMJAVAXUXTBGW-QLFBSQMISA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCc2ccon2)C1 ZINC001488940513 1092840779 /nfs/dbraw/zinc/84/07/79/1092840779.db2.gz RLYGSRIYMHYMFB-GXTWGEPZSA-N 0 3 311.813 2.234 20 30 DEEDHN C/C=C(\C)C(=O)N[C@@H]1[C@@H]2CCCN(CC#CCOC)[C@H]2C1(C)C ZINC001489088501 1092939626 /nfs/dbraw/zinc/93/96/26/1092939626.db2.gz VWGLDIVHHWKBMQ-FBMXWMNHSA-N 0 3 318.461 2.208 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1C ZINC001489314262 1093015607 /nfs/dbraw/zinc/01/56/07/1093015607.db2.gz JIDJYOHDONTDSQ-KHQOANHYSA-N 0 3 318.461 2.060 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ocnc1-c1ccccc1 ZINC001490205544 1093223629 /nfs/dbraw/zinc/22/36/29/1093223629.db2.gz KFKAVBHGDXYANP-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2ccncc2C)CC1 ZINC001490407544 1093368569 /nfs/dbraw/zinc/36/85/69/1093368569.db2.gz MVHMSEVMRUQOPC-UHFFFAOYSA-N 0 3 317.433 2.129 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(C[C@H](OC)c2ccccc2)C1 ZINC001490537860 1093402132 /nfs/dbraw/zinc/40/21/32/1093402132.db2.gz OPNADBLIVXDTDM-ROUUACIJSA-N 0 3 314.429 2.368 20 30 DEEDHN C=C/C(C)=C\CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001490600889 1093424892 /nfs/dbraw/zinc/42/48/92/1093424892.db2.gz NEIOOIQYZYRHCP-BOVGMKJQSA-N 0 3 316.445 2.129 20 30 DEEDHN C=C[C@@](C)(O)CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001252555414 1093576090 /nfs/dbraw/zinc/57/60/90/1093576090.db2.gz UOXNDTAUBQOABE-JOYOIKCWSA-N 0 3 305.300 2.205 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCCC#CC)CCOCC1 ZINC001273995487 1093734055 /nfs/dbraw/zinc/73/40/55/1093734055.db2.gz PIZNCXCVHAOZTP-UHFFFAOYSA-N 0 3 312.841 2.188 20 30 DEEDHN C#CCN1c2ccccc2C2(CCN(CCCC#N)CC2)C1=O ZINC001274039470 1093777632 /nfs/dbraw/zinc/77/76/32/1093777632.db2.gz ZEWGHVBKHGRQAY-UHFFFAOYSA-N 0 3 307.397 2.304 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1scnc1C(F)(F)F ZINC001274097433 1093796331 /nfs/dbraw/zinc/79/63/31/1093796331.db2.gz VGXWZTIYVQTYSD-SNAWJCMRSA-N 0 3 317.336 2.061 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(C)c(O)c1)CC2 ZINC001274099681 1093797595 /nfs/dbraw/zinc/79/75/95/1093797595.db2.gz NXMKWSDJVKYBEA-INIZCTEOSA-N 0 3 312.413 2.052 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3ccc(COC)o3)CC2)C1=O ZINC001274169539 1093833395 /nfs/dbraw/zinc/83/33/95/1093833395.db2.gz GQULTSSAOQLROX-UHFFFAOYSA-N 0 3 318.417 2.427 20 30 DEEDHN Cc1ocnc1C(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001274171678 1093833597 /nfs/dbraw/zinc/83/35/97/1093833597.db2.gz ISMITVKEZADMQF-YOEHRIQHSA-N 0 3 323.396 2.085 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001274189014 1093840533 /nfs/dbraw/zinc/84/05/33/1093840533.db2.gz NYNZGJDDFICUPL-HKUYNNGSSA-N 0 3 308.425 2.278 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cncnc1 ZINC001691721805 1138212722 /nfs/dbraw/zinc/21/27/22/1138212722.db2.gz NXYNXJBQNQHBTC-SWLSCSKDSA-N 0 3 322.840 2.450 20 30 DEEDHN CCOC(=O)c1cccc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001236647092 1138389622 /nfs/dbraw/zinc/38/96/22/1138389622.db2.gz INYJFQNERTXYEQ-AWEZNQCLSA-N 0 3 318.398 2.032 20 30 DEEDHN COC[C@H]1COCCC12CCN(Cc1ccnc(C#N)c1)CC2 ZINC001237466573 1138643133 /nfs/dbraw/zinc/64/31/33/1138643133.db2.gz VHAHHCDSMDJEFS-INIZCTEOSA-N 0 3 315.417 2.218 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)CCC(C)C)C2)CC1 ZINC001278101891 1138644983 /nfs/dbraw/zinc/64/49/83/1138644983.db2.gz KNMJINREIVQSLV-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C(=O)c1cc(C)on1)C1CCN(CC(=C)C)CC1 ZINC001278115458 1138689284 /nfs/dbraw/zinc/68/92/84/1138689284.db2.gz NDJJOLUJKYFKTO-UHFFFAOYSA-N 0 3 301.390 2.099 20 30 DEEDHN O=C1C=C2CN(Cc3ccnc(OC(F)F)c3)CCC2S1 ZINC001237607581 1138712444 /nfs/dbraw/zinc/71/24/44/1138712444.db2.gz AJPSQJQQLOHOQM-NSHDSACASA-N 0 3 312.341 2.457 20 30 DEEDHN C#CCN(C(=O)c1cncc(F)c1)C1CCN(CC(=C)C)CC1 ZINC001278136947 1138771784 /nfs/dbraw/zinc/77/17/84/1138771784.db2.gz FKFPRBBQLIQICX-UHFFFAOYSA-N 0 3 315.392 2.337 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2ccns2)[C@H]1C ZINC001278291832 1139016788 /nfs/dbraw/zinc/01/67/88/1139016788.db2.gz AKWNHJXGOYWBQE-UKRRQHHQSA-N 0 3 305.447 2.416 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)CN(CC)CC)C1 ZINC001295804957 1139569349 /nfs/dbraw/zinc/56/93/49/1139569349.db2.gz UPDHBFYBASBFCM-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)NCc2ccnc(N(C)C)c2)C1 ZINC001491577248 1140169948 /nfs/dbraw/zinc/16/99/48/1140169948.db2.gz RDLACQSPTNXQLI-CQSZACIVSA-N 0 3 316.449 2.098 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491584507 1140176660 /nfs/dbraw/zinc/17/66/60/1140176660.db2.gz HMXHPXKRABIWKX-UXIGCNINSA-N 0 3 303.381 2.338 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cc(-c2ccccc2)ccn1 ZINC001491617853 1140206034 /nfs/dbraw/zinc/20/60/34/1140206034.db2.gz KXSAVLJWTWQJKD-HNNXBMFYSA-N 0 3 307.397 2.480 20 30 DEEDHN CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(CCOCCC(C)C)C1 ZINC001318457636 1140336898 /nfs/dbraw/zinc/33/68/98/1140336898.db2.gz JIQOGLBNNSJZLD-HOTGVXAUSA-N 0 3 309.454 2.132 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)COc2ccsc2)C1 ZINC001318484834 1140346832 /nfs/dbraw/zinc/34/68/32/1140346832.db2.gz LTWJQMDGYHIZQM-AWEZNQCLSA-N 0 3 306.431 2.073 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)NCc1scnc1C ZINC001318575263 1140366799 /nfs/dbraw/zinc/36/67/99/1140366799.db2.gz IGHXVLVPMHYHHB-MCIONIFRSA-N 0 3 323.462 2.027 20 30 DEEDHN CC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001318773400 1140407298 /nfs/dbraw/zinc/40/72/98/1140407298.db2.gz FHNDCBXNRLOHBM-OAHLLOKOSA-N 0 3 300.402 2.247 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)C2CCC3(CC3)CC2)C1 ZINC001278390814 1140489558 /nfs/dbraw/zinc/48/95/58/1140489558.db2.gz KTQYXJHPQQQGDR-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2c[nH]c3ncccc23)cc1 ZINC001319009167 1140489778 /nfs/dbraw/zinc/48/97/78/1140489778.db2.gz URBKRWNYWDFDQV-UHFFFAOYSA-N 0 3 318.380 2.216 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)/C=C\c1ccco1 ZINC001319603963 1140623700 /nfs/dbraw/zinc/62/37/00/1140623700.db2.gz UKPFPKJCQLYIAG-HLRDLLSLSA-N 0 3 318.417 2.063 20 30 DEEDHN CCC1(C(=O)N[C@H](CNCC#CCOC)CC(C)C)CCC1 ZINC001319623395 1140627878 /nfs/dbraw/zinc/62/78/78/1140627878.db2.gz YWKGFJWNVZXKEE-INIZCTEOSA-N 0 3 308.466 2.337 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)[C@H](C)c1ccco1 ZINC001319633263 1140628661 /nfs/dbraw/zinc/62/86/61/1140628661.db2.gz FYIOWPQGZQILON-CVEARBPZSA-N 0 3 320.433 2.153 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001319723523 1140688653 /nfs/dbraw/zinc/68/86/53/1140688653.db2.gz LYDHAOGJSQQYCT-AWEZNQCLSA-N 0 3 310.829 2.147 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001320060113 1140817275 /nfs/dbraw/zinc/81/72/75/1140817275.db2.gz CDEABERNYZIBSZ-UHFFFAOYSA-N 0 3 313.376 2.401 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1ccn(C)n1 ZINC001320154378 1140830944 /nfs/dbraw/zinc/83/09/44/1140830944.db2.gz NXFCRDJRXZXGQB-GDBMZVCRSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1ccn(C)n1 ZINC001320167421 1140832562 /nfs/dbraw/zinc/83/25/62/1140832562.db2.gz VEHRXEZPFTURSI-ZBFHGGJFSA-N 0 3 318.465 2.397 20 30 DEEDHN C[C@H](NC(=O)Nc1ccc(OCC#N)cc1)C1=CCN(C)CC1 ZINC001320223277 1140839780 /nfs/dbraw/zinc/83/97/80/1140839780.db2.gz CGYXFQQWIHIRHS-ZDUSSCGKSA-N 0 3 314.389 2.361 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001320313921 1140847965 /nfs/dbraw/zinc/84/79/65/1140847965.db2.gz RWZBISMUURTNBF-MRXNPFEDSA-N 0 3 311.470 2.341 20 30 DEEDHN COc1ccnc(CNCC[C@@H](C)NC(=O)C#CC(C)(C)C)c1 ZINC001320421025 1140863215 /nfs/dbraw/zinc/86/32/15/1140863215.db2.gz CYSSBTFIOMVXFD-CQSZACIVSA-N 0 3 317.433 2.124 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1c[nH]c2cnccc12 ZINC001320531258 1140875962 /nfs/dbraw/zinc/87/59/62/1140875962.db2.gz YEEHZVZULVBDEU-LBPRGKRZSA-N 0 3 320.824 2.342 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)Cc2ccccc2F)C1 ZINC001278438633 1140877741 /nfs/dbraw/zinc/87/77/41/1140877741.db2.gz VMRYDGFCWNEOEP-SFHVURJKSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001320592994 1140883913 /nfs/dbraw/zinc/88/39/13/1140883913.db2.gz VVEDWUGVDWYJMY-OIISXLGYSA-N 0 3 317.433 2.150 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001278444090 1140889788 /nfs/dbraw/zinc/88/97/88/1140889788.db2.gz OCPJWIAJDNJWEW-GOSISDBHSA-N 0 3 302.418 2.394 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@@H]1C[C@@H]1C ZINC001320672081 1140892495 /nfs/dbraw/zinc/89/24/95/1140892495.db2.gz IZXSOOANJPJSQO-SWLSCSKDSA-N 0 3 303.381 2.291 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1csc(Cl)c1 ZINC001320862717 1140958490 /nfs/dbraw/zinc/95/84/90/1140958490.db2.gz LFPIGQSWPTVMEM-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)[C@@H]2CCC2(F)F)c1 ZINC001321111741 1141057003 /nfs/dbraw/zinc/05/70/03/1141057003.db2.gz LHXQFLWWTWEPFZ-YLSAJCSVSA-N 0 3 319.355 2.366 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001321375398 1141212027 /nfs/dbraw/zinc/21/20/27/1141212027.db2.gz CHSYGWZWBJCNBC-IHVVCDCBSA-N 0 3 302.443 2.382 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1sc(CCC)nc1C ZINC001321391265 1141224803 /nfs/dbraw/zinc/22/48/03/1141224803.db2.gz CPMQZGKYKIEFDM-FPLPWBNLSA-N 0 3 305.447 2.303 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccc(C)cc1F ZINC001322249082 1141488106 /nfs/dbraw/zinc/48/81/06/1141488106.db2.gz OQNUOGBUCGFBDZ-CQSZACIVSA-N 0 3 308.397 2.387 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001323066890 1141808309 /nfs/dbraw/zinc/80/83/09/1141808309.db2.gz PKGDCTWZFUVZRR-SFHVURJKSA-N 0 3 323.396 2.133 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc3nonc3c2)CC1 ZINC001323516725 1141861643 /nfs/dbraw/zinc/86/16/43/1141861643.db2.gz XIJLBPYQYPNKNV-UHFFFAOYSA-N 0 3 314.389 2.173 20 30 DEEDHN N#Cc1ccc(-c2noc(C[C@H](N)c3ccccc3F)n2)nc1 ZINC001249259555 1141865451 /nfs/dbraw/zinc/86/54/51/1141865451.db2.gz ZTNRHUROUIABBU-ZDUSSCGKSA-N 0 3 309.304 2.385 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001323623576 1141871438 /nfs/dbraw/zinc/87/14/38/1141871438.db2.gz BUPVMTOYNJFVHJ-CQSZACIVSA-N 0 3 302.393 2.266 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCOCC)C1 ZINC001323639117 1141872660 /nfs/dbraw/zinc/87/26/60/1141872660.db2.gz XGQQGLVGKXEZKM-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN CN1C(=O)CC[C@@H]2CN(Cc3cc4ccc(C#N)cc4[nH]3)CC[C@H]21 ZINC001249431101 1141888644 /nfs/dbraw/zinc/88/86/44/1141888644.db2.gz UJVVQXIRCHTZNI-CRAIPNDOSA-N 0 3 322.412 2.482 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001324020978 1141958489 /nfs/dbraw/zinc/95/84/89/1141958489.db2.gz CWBGRHNAKLUORV-IRXDYDNUSA-N 0 3 317.433 2.324 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2nccnc2C)C[C@H]1C ZINC001324057589 1141990548 /nfs/dbraw/zinc/99/05/48/1141990548.db2.gz ROWDJKLSHQOFJQ-GDBMZVCRSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1CCN(CCO)CC1 ZINC001324432356 1142077290 /nfs/dbraw/zinc/07/72/90/1142077290.db2.gz SWZXPBDYJSRBLS-INIZCTEOSA-N 0 3 322.493 2.367 20 30 DEEDHN CCC(=CC(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1)CC ZINC001278636060 1142476576 /nfs/dbraw/zinc/47/65/76/1142476576.db2.gz QCEIBCIOHSSVSK-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN Cc1ccccc1OC[C@H](O)CNCc1csc(C#N)c1 ZINC001251746319 1142502293 /nfs/dbraw/zinc/50/22/93/1142502293.db2.gz WMKKPSFTLZWUMN-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN C#CCOC[C@@H](O)CN1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001251835446 1142520347 /nfs/dbraw/zinc/52/03/47/1142520347.db2.gz KGOKHCPBVHPIIO-HNNXBMFYSA-N 0 3 323.820 2.194 20 30 DEEDHN C=CCOC[C@@H](O)CN1CC2(CC(OCc3ccccc3)C2)C1 ZINC001252469915 1142723576 /nfs/dbraw/zinc/72/35/76/1142723576.db2.gz DUSNKCDNNBSYOL-KRWDZBQOSA-N 0 3 317.429 2.231 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C(F)F)ncn2)C1 ZINC001278668557 1142731985 /nfs/dbraw/zinc/73/19/85/1142731985.db2.gz OUURFHBJZGKUQV-MRXNPFEDSA-N 0 3 324.375 2.432 20 30 DEEDHN C=C[C@](C)(O)CNCc1ccccc1I ZINC001252582023 1142770284 /nfs/dbraw/zinc/77/02/84/1142770284.db2.gz MUOLUMUXIHCKTR-LBPRGKRZSA-N 0 3 317.170 2.318 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001252603728 1142786219 /nfs/dbraw/zinc/78/62/19/1142786219.db2.gz FYNYQEGBFWJNGM-SJORKVTESA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001252603928 1142786308 /nfs/dbraw/zinc/78/63/08/1142786308.db2.gz IUHXJSQYBMZMDZ-ZIAGYGMSSA-N 0 3 318.392 2.183 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC001337760169 1142800496 /nfs/dbraw/zinc/80/04/96/1142800496.db2.gz HWOFAEOMVFMMRU-RBUKOAKNSA-N 0 3 310.441 2.327 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)COc2ccccc2)C1 ZINC001278687062 1142829285 /nfs/dbraw/zinc/82/92/85/1142829285.db2.gz OJNMZXDZFMREDD-LJQANCHMSA-N 0 3 314.429 2.307 20 30 DEEDHN C=CCCCC(=O)NCC1(NCc2cncs2)CCOCC1 ZINC001278718688 1142869532 /nfs/dbraw/zinc/86/95/32/1142869532.db2.gz PFHQDIDJESPVLH-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC=C(C)C1 ZINC001338692942 1142871005 /nfs/dbraw/zinc/87/10/05/1142871005.db2.gz HUJFENMHCCQRAN-HNNXBMFYSA-N 0 3 301.438 2.430 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC001339861541 1143143049 /nfs/dbraw/zinc/14/30/49/1143143049.db2.gz LCFSLQPDQDGPMU-CQSZACIVSA-N 0 3 310.369 2.473 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC001340075105 1143255724 /nfs/dbraw/zinc/25/57/24/1143255724.db2.gz MEKOWKSQYUHWTG-RHSMWYFYSA-N 0 3 317.433 2.074 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC001340075107 1143256128 /nfs/dbraw/zinc/25/61/28/1143256128.db2.gz MEKOWKSQYUHWTG-WMLDXEAASA-N 0 3 317.433 2.074 20 30 DEEDHN C=CCCCC(=O)NC[C@]1(O)CCN(Cc2ccc(C)cc2)C1 ZINC001278799905 1143286105 /nfs/dbraw/zinc/28/61/05/1143286105.db2.gz JAMDRXTVYWEWCQ-LJQANCHMSA-N 0 3 316.445 2.404 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001341072221 1143533618 /nfs/dbraw/zinc/53/36/18/1143533618.db2.gz NWMZAZQLWDYCGH-CVEARBPZSA-N 0 3 324.465 2.271 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC001341685803 1143666894 /nfs/dbraw/zinc/66/68/94/1143666894.db2.gz XONBMEBOONELOA-MRXNPFEDSA-N 0 3 321.396 2.284 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC001341792306 1143705448 /nfs/dbraw/zinc/70/54/48/1143705448.db2.gz TYGGZQXIAAJFSQ-HZPDHXFCSA-N 0 3 302.418 2.300 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2F)cc1Cl ZINC001341955986 1143750334 /nfs/dbraw/zinc/75/03/34/1143750334.db2.gz SQTLSJWWIFJLIX-NGZCFLSTSA-N 0 3 310.712 2.354 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(CC)CCSC ZINC001342253292 1143806616 /nfs/dbraw/zinc/80/66/16/1143806616.db2.gz MAXFPBRPXHTFOO-CQSZACIVSA-N 0 3 323.510 2.463 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001342254722 1143806933 /nfs/dbraw/zinc/80/69/33/1143806933.db2.gz ZAVLBPXECGLZNV-RBSFLKMASA-N 0 3 303.454 2.366 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC001342356265 1143812707 /nfs/dbraw/zinc/81/27/07/1143812707.db2.gz YQWCKUOOXLLUCW-ZDUSSCGKSA-N 0 3 305.422 2.385 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccn(C(C)C)n1 ZINC001342580059 1143825012 /nfs/dbraw/zinc/82/50/12/1143825012.db2.gz RQZWBIXLKYJMPE-OAHLLOKOSA-N 0 3 318.421 2.412 20 30 DEEDHN C=CCCC[C@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)OC ZINC001342596553 1143826037 /nfs/dbraw/zinc/82/60/37/1143826037.db2.gz AVSXVJXIRBIKMB-GJZGRUSLSA-N 0 3 304.390 2.091 20 30 DEEDHN C#CCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256486688 1143851013 /nfs/dbraw/zinc/85/10/13/1143851013.db2.gz WEYZWBHODONBMN-HZPDHXFCSA-N 0 3 321.465 2.025 20 30 DEEDHN CC(C)C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804101 1143867744 /nfs/dbraw/zinc/86/77/44/1143867744.db2.gz LXBKTJFWNXTATB-PMPSAXMXSA-N 0 3 306.406 2.416 20 30 DEEDHN CN(C)Cc1cccc(C(=O)N[C@H](CNCC#N)C(C)(C)C)c1 ZINC001279033699 1143947671 /nfs/dbraw/zinc/94/76/71/1143947671.db2.gz CFDNZJCBTOONTF-MRXNPFEDSA-N 0 3 316.449 2.006 20 30 DEEDHN C=CCN([C@@H](C)CCS(=O)(=O)CCC(=O)OC)C(C)(C)C ZINC001257941913 1143961207 /nfs/dbraw/zinc/96/12/07/1143961207.db2.gz FAKQTRKEWUPLFS-ZDUSSCGKSA-N 0 3 319.467 2.029 20 30 DEEDHN C=CCN1CCC[C@@H](N[C@@H]2COc3ccc(Cl)cc3C2)C1=O ZINC001257952281 1143961639 /nfs/dbraw/zinc/96/16/39/1143961639.db2.gz HMTLWNVJAQNVQC-LSDHHAIUSA-N 0 3 320.820 2.410 20 30 DEEDHN CC[C@H](C)[C@H](N[C@@H]1COc2ccc(Cl)cc2C1)C(=O)NO ZINC001257958744 1143961782 /nfs/dbraw/zinc/96/17/82/1143961782.db2.gz GNMKSVUKHREYRE-WFBYXXMGSA-N 0 3 312.797 2.153 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C(=O)N[O-] ZINC001258510194 1144015071 /nfs/dbraw/zinc/01/50/71/1144015071.db2.gz ZJJFBVFRWWVKBA-BBRMVZONSA-N 0 3 305.422 2.165 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(c2ncccc2C(=O)N(C)C)CC1 ZINC001258732273 1144037158 /nfs/dbraw/zinc/03/71/58/1144037158.db2.gz KSZPUSIENFDPIN-OAHLLOKOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC001263082436 1144354283 /nfs/dbraw/zinc/35/42/83/1144354283.db2.gz HNHNSNWMQRSESO-UKRRQHHQSA-N 0 3 320.433 2.435 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 ZINC001263088557 1144354526 /nfs/dbraw/zinc/35/45/26/1144354526.db2.gz LZGYOKIGODVJNS-ZIAGYGMSSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC001263094075 1144354916 /nfs/dbraw/zinc/35/49/16/1144354916.db2.gz VNVKHNYEEGZCBW-MRXNPFEDSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC001263111511 1144357011 /nfs/dbraw/zinc/35/70/11/1144357011.db2.gz FKZUHSDMEDWVAZ-SJORKVTESA-N 0 3 317.433 2.273 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C=Cc1ccc(C(=O)OC)o1 ZINC001263615695 1144383170 /nfs/dbraw/zinc/38/31/70/1144383170.db2.gz CTTOPZFSVJEFMT-FUEXJSSKSA-N 0 3 313.313 2.172 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cn(CC)nc1C ZINC001263812090 1144397989 /nfs/dbraw/zinc/39/79/89/1144397989.db2.gz HAWNRFACEAWRIA-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC001264165347 1144493659 /nfs/dbraw/zinc/49/36/59/1144493659.db2.gz IFUMIMVAKFAIMH-DYVFJYSZSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001264401991 1144530166 /nfs/dbraw/zinc/53/01/66/1144530166.db2.gz LRTBUDANHYILCB-GASCZTMLSA-N 0 3 302.422 2.126 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(F)F)C[C@@H]2C1 ZINC001264645447 1144585526 /nfs/dbraw/zinc/58/55/26/1144585526.db2.gz LVTLAAZZDNJQMO-ZNMIVQPWSA-N 0 3 312.404 2.471 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H](C)CCC)C1 ZINC001264673601 1144589230 /nfs/dbraw/zinc/58/92/30/1144589230.db2.gz RHCYHZVMWPMZBM-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@](C)(OC)c1ccccc1F ZINC001264995111 1144622098 /nfs/dbraw/zinc/62/20/98/1144622098.db2.gz UQWIBANTXOHCTH-SFHVURJKSA-N 0 3 320.408 2.149 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001265219274 1144669675 /nfs/dbraw/zinc/66/96/75/1144669675.db2.gz WIOHTGYWRQCHHW-GFCCVEGCSA-N 0 3 302.340 2.323 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001265299956 1144687742 /nfs/dbraw/zinc/68/77/42/1144687742.db2.gz XFDXCWAGBZCOBE-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001265299956 1144687745 /nfs/dbraw/zinc/68/77/45/1144687745.db2.gz XFDXCWAGBZCOBE-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001265319344 1144692770 /nfs/dbraw/zinc/69/27/70/1144692770.db2.gz LQKVLLNNIIRUDL-AAEUAGOBSA-N 0 3 321.446 2.006 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001265553300 1144711443 /nfs/dbraw/zinc/71/14/43/1144711443.db2.gz NEVACWMOHZAGAE-KFWWJZLASA-N 0 3 302.422 2.124 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001265581798 1144714281 /nfs/dbraw/zinc/71/42/81/1144714281.db2.gz GBUDMJYHRABIEV-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001265597421 1144716328 /nfs/dbraw/zinc/71/63/28/1144716328.db2.gz YABLFPAQLWIADT-GJZGRUSLSA-N 0 3 318.392 2.054 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCOCC2CC2)C1 ZINC001265703811 1144731393 /nfs/dbraw/zinc/73/13/93/1144731393.db2.gz UYPJWHBKKLWNGT-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccc(Cl)c(C)c1 ZINC001265818668 1144743742 /nfs/dbraw/zinc/74/37/42/1144743742.db2.gz PDHRJXPCUNGXDF-CYBMUJFWSA-N 0 3 308.809 2.006 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccnc3ccncc32)C1 ZINC001266105382 1144805870 /nfs/dbraw/zinc/80/58/70/1144805870.db2.gz MUBPOYLOKSJXDC-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1cnc(C)cn1 ZINC001266167148 1144811227 /nfs/dbraw/zinc/81/12/27/1144811227.db2.gz PEGHRHGKZPSTHX-CYBMUJFWSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cn(C)cn1 ZINC001266206859 1144814266 /nfs/dbraw/zinc/81/42/66/1144814266.db2.gz BFPFENHQVOYWAL-ZDUSSCGKSA-N 0 3 310.829 2.147 20 30 DEEDHN C=CCCCN1CCC[C@@H](NC(=O)c2coc(OCC)n2)C1 ZINC001266225048 1144816284 /nfs/dbraw/zinc/81/62/84/1144816284.db2.gz IJIBLVDCBCVMJQ-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC001279288567 1144820225 /nfs/dbraw/zinc/82/02/25/1144820225.db2.gz VGJBXASDDAENIP-PVARCSIZSA-N 0 3 316.449 2.466 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC(C)C)C[C@@H]2C1 ZINC001279403344 1144822043 /nfs/dbraw/zinc/82/20/43/1144822043.db2.gz MMVUNRSPFKBDSV-CALCHBBNSA-N 0 3 320.477 2.099 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001279509214 1144823486 /nfs/dbraw/zinc/82/34/86/1144823486.db2.gz INZLVAJMRXDQFC-PBHICJAKSA-N 0 3 322.474 2.371 20 30 DEEDHN CC#CCCCC(=O)N[C@]1(CO)CCCN(CC=C(C)C)C1 ZINC001279510074 1144823598 /nfs/dbraw/zinc/82/35/98/1144823598.db2.gz UDYSKCGNJJWXIY-GOSISDBHSA-N 0 3 306.450 2.089 20 30 DEEDHN C=C[C@H](CC(=O)N[C@]1(CO)CCCN(CC)C1)c1ccccc1 ZINC001279530922 1144823900 /nfs/dbraw/zinc/82/39/00/1144823900.db2.gz XNRRXOAVEIEQNL-VQIMIIECSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H](OC)c2ccc(F)cc2)CC1 ZINC001279696193 1144827195 /nfs/dbraw/zinc/82/71/95/1144827195.db2.gz UFHJJETWXNVQHC-KRWDZBQOSA-N 0 3 318.392 2.448 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001280019389 1144831048 /nfs/dbraw/zinc/83/10/48/1144831048.db2.gz GANXSMXRDWHAJE-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2c[nH]nc2CC)cc1 ZINC001280351019 1144836254 /nfs/dbraw/zinc/83/62/54/1144836254.db2.gz RGVPGIKVTYDMBX-ZDUSSCGKSA-N 0 3 310.401 2.186 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@H]1CCN1CCCF ZINC001316603524 1144839236 /nfs/dbraw/zinc/83/92/36/1144839236.db2.gz DEEQWZUTTNYRCM-QGZVFWFLSA-N 0 3 302.393 2.103 20 30 DEEDHN CC#CCNC1(CNC(=O)COc2ccc(CC)cc2)CCC1 ZINC001280535873 1144844468 /nfs/dbraw/zinc/84/44/68/1144844468.db2.gz KZYPEZIOUTYJDU-UHFFFAOYSA-N 0 3 314.429 2.280 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cccnc1C(F)(F)F ZINC001280866444 1144860331 /nfs/dbraw/zinc/86/03/31/1144860331.db2.gz ZFYSSASSPLSUEQ-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001281064719 1144870772 /nfs/dbraw/zinc/87/07/72/1144870772.db2.gz ZYILJQCCPRLNDS-SFHVURJKSA-N 0 3 314.429 2.142 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001281138047 1144873559 /nfs/dbraw/zinc/87/35/59/1144873559.db2.gz ORZZWRDRGYVSKS-IEBWSBKVSA-N 0 3 318.461 2.089 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@H]1C ZINC001281670797 1144905356 /nfs/dbraw/zinc/90/53/56/1144905356.db2.gz RCMRZLGFTMQKHQ-KGLIPLIRSA-N 0 3 307.442 2.358 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@H]1C ZINC001281670797 1144905361 /nfs/dbraw/zinc/90/53/61/1144905361.db2.gz RCMRZLGFTMQKHQ-KGLIPLIRSA-N 0 3 307.442 2.358 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC001281921139 1144920459 /nfs/dbraw/zinc/92/04/59/1144920459.db2.gz XECOLMRXIGLCNY-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1scc2c1OCCO2 ZINC001281964990 1144924807 /nfs/dbraw/zinc/92/48/07/1144924807.db2.gz MJNBASXLQOVIEV-LBPRGKRZSA-N 0 3 322.430 2.242 20 30 DEEDHN C=CCCC(=O)NC1CC(CNCc2oc(CC)nc2C)C1 ZINC001281991168 1144926904 /nfs/dbraw/zinc/92/69/04/1144926904.db2.gz FXZJWCNFLQDXRS-UHFFFAOYSA-N 0 3 305.422 2.496 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001316616581 1144928545 /nfs/dbraw/zinc/92/85/45/1144928545.db2.gz TYDRQTWWMQULEB-OTVXOJSOSA-N 0 3 319.836 2.379 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2cncc(F)c2)C1 ZINC001316617177 1144958161 /nfs/dbraw/zinc/95/81/61/1144958161.db2.gz YHEUWVMKZGLXSB-AKAXFMLLSA-N 0 3 303.381 2.009 20 30 DEEDHN CC(=O)CCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282095146 1144971947 /nfs/dbraw/zinc/97/19/47/1144971947.db2.gz KLVTVOPQPLEIIL-DLBZAZTESA-N 0 3 314.429 2.280 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001282094268 1144972847 /nfs/dbraw/zinc/97/28/47/1144972847.db2.gz CKCNDJZFPRGFRS-VXGBXAGGSA-N 0 3 318.421 2.009 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)C1(C)CC=CC1 ZINC001282648118 1145109693 /nfs/dbraw/zinc/10/96/93/1145109693.db2.gz PDOUWOZQHMRIGG-INIZCTEOSA-N 0 3 306.450 2.257 20 30 DEEDHN C=CCOCCN1CCCCC[C@H]1CNC(=O)c1oncc1C ZINC001282678426 1145123734 /nfs/dbraw/zinc/12/37/34/1145123734.db2.gz SOMOOSVHHHSJLT-HNNXBMFYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001282735539 1145151670 /nfs/dbraw/zinc/15/16/70/1145151670.db2.gz OMCDLAHZSZJTNW-ZDUSSCGKSA-N 0 3 312.417 2.118 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCc2ccc(F)cc2F)C1 ZINC001282739330 1145157310 /nfs/dbraw/zinc/15/73/10/1145157310.db2.gz IPDWIQZIEXTRJR-CYBMUJFWSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCc2ccc(F)cc2F)C1 ZINC001282739336 1145157869 /nfs/dbraw/zinc/15/78/69/1145157869.db2.gz IPDWIQZIEXTRJR-ZDUSSCGKSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCc2ccoc2)C(C)(C)C1 ZINC001282798571 1145166370 /nfs/dbraw/zinc/16/63/70/1145166370.db2.gz ZITNISVNHOUCQZ-MRXNPFEDSA-N 0 3 320.433 2.241 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CC1(C)C ZINC001282800587 1145167546 /nfs/dbraw/zinc/16/75/46/1145167546.db2.gz NGQHFWGXKIKUPF-HZPDHXFCSA-N 0 3 320.477 2.432 20 30 DEEDHN COC(=O)CCCN(CCO[C@H](C)C#N)Cc1ccccc1 ZINC001364358401 1145193560 /nfs/dbraw/zinc/19/35/60/1145193560.db2.gz IFLNPZDCHSFTES-OAHLLOKOSA-N 0 3 304.390 2.370 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001283079903 1145259175 /nfs/dbraw/zinc/25/91/75/1145259175.db2.gz MVBQLLHRLXNFFJ-SHTZXODSSA-N 0 3 318.465 2.315 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001283423373 1145405832 /nfs/dbraw/zinc/40/58/32/1145405832.db2.gz KMSKOHNICHFAGX-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001316629428 1145635179 /nfs/dbraw/zinc/63/51/79/1145635179.db2.gz NHHWPXGRLRIFNF-SHTZXODSSA-N 0 3 316.449 2.372 20 30 DEEDHN N#Cc1ccc(CNCC2(OCCO)CCCCC2)c(F)c1 ZINC001364913057 1145669537 /nfs/dbraw/zinc/66/95/37/1145669537.db2.gz MYTUFPPYDQWJML-UHFFFAOYSA-N 0 3 306.381 2.499 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCn2cc(C)cn2)[C@@H]1C ZINC001284155089 1145809276 /nfs/dbraw/zinc/80/92/76/1145809276.db2.gz SHDNMZBZKFVRCZ-JKSUJKDBSA-N 0 3 304.438 2.127 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC(OCC3CC3)CC2)c1 ZINC001365272179 1145834301 /nfs/dbraw/zinc/83/43/01/1145834301.db2.gz UYYKHPRSPZRNDH-SFHVURJKSA-N 0 3 300.402 2.483 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001284402972 1145849519 /nfs/dbraw/zinc/84/95/19/1145849519.db2.gz HTQCMSIDJXPARN-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](O)CNCc1cc(C)ccc1F ZINC001284435380 1145855615 /nfs/dbraw/zinc/85/56/15/1145855615.db2.gz HCGONQDXDJOPPD-OAHLLOKOSA-N 0 3 322.424 2.255 20 30 DEEDHN CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC001284509543 1145865075 /nfs/dbraw/zinc/86/50/75/1145865075.db2.gz NXGKHGBLYVDLII-SFHVURJKSA-N 0 3 316.445 2.131 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001284520818 1145866460 /nfs/dbraw/zinc/86/64/60/1145866460.db2.gz YZJFKPQXJAAHPI-OAHLLOKOSA-N 0 3 316.401 2.292 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)CCC2CCC2)CC1 ZINC001284677978 1145889233 /nfs/dbraw/zinc/88/92/33/1145889233.db2.gz SSYXJVKUZLDVKV-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)[C@@H]1C ZINC001288012465 1146762270 /nfs/dbraw/zinc/76/22/70/1146762270.db2.gz NOCCIZZMDTWYNM-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN CCCCCCCC(=O)N1CCOC[C@@]1(COC)CN(C)C ZINC001288225420 1146780322 /nfs/dbraw/zinc/78/03/22/1146780322.db2.gz BAGZMRUGECQFKB-KRWDZBQOSA-N 0 3 314.470 2.153 20 30 DEEDHN CN(CCCNC(=O)c1cc[nH]c1)Cc1ccc(F)c(C#N)c1 ZINC001316826883 1146817555 /nfs/dbraw/zinc/81/75/55/1146817555.db2.gz USZOUSMSZNFTNZ-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001491806390 1146924712 /nfs/dbraw/zinc/92/47/12/1146924712.db2.gz QFLHDVSUTLJZAR-HNNXBMFYSA-N 0 3 316.449 2.325 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccnn2C(C)C)C1 ZINC001491928272 1147003308 /nfs/dbraw/zinc/00/33/08/1147003308.db2.gz CGCOULBAPGUFJE-OAHLLOKOSA-N 0 3 302.422 2.024 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC001491944924 1147011696 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LBTHCYASHXIPJH-CABCVRRESA-N 0 3 310.401 2.044 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CCO1 ZINC001327067005 1148318826 /nfs/dbraw/zinc/31/88/26/1148318826.db2.gz ZLSFXUVENBCMPF-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CN(C)CCOc1cc(CNCc2cc(C#N)cs2)ccn1 ZINC000136221084 282085209 /nfs/dbraw/zinc/08/52/09/282085209.db2.gz SYSNJINLGPAQHN-UHFFFAOYSA-N 0 3 316.430 2.245 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCCO1)C(C)C ZINC000079032791 185147741 /nfs/dbraw/zinc/14/77/41/185147741.db2.gz WQFRPKXBKCZEGZ-HZPDHXFCSA-N 0 3 309.454 2.163 20 30 DEEDHN CC[C@@H]1C[C@@H](CN2CCN(c3ccc(C#N)cn3)CC2)CCO1 ZINC000332403785 529425532 /nfs/dbraw/zinc/42/55/32/529425532.db2.gz VWIPFLMFOVNFMC-DOTOQJQBSA-N 0 3 314.433 2.280 20 30 DEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000328645182 231280835 /nfs/dbraw/zinc/28/08/35/231280835.db2.gz SBXBSKTUHKYGBF-KBPBESRZSA-N 0 3 302.403 2.363 20 30 DEEDHN CCC(CC)N(CCOC)CC(=O)NC1(C#N)CCCCC1 ZINC000064806402 282183765 /nfs/dbraw/zinc/18/37/65/282183765.db2.gz CYZDVRACZSSQSS-UHFFFAOYSA-N 0 3 309.454 2.466 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H](O)C(C)C ZINC000412717883 529535461 /nfs/dbraw/zinc/53/54/61/529535461.db2.gz LYZIFMFYWSXJOD-IXDOHACOSA-N 0 3 313.401 2.152 20 30 DEEDHN C=C[C@@](C)(O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000613176818 362028746 /nfs/dbraw/zinc/02/87/46/362028746.db2.gz DSRIXFIIHZBELT-GOSISDBHSA-N 0 3 317.433 2.093 20 30 DEEDHN C=C(C)COCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090451259 185296995 /nfs/dbraw/zinc/29/69/95/185296995.db2.gz AFDHUTFILZWPCF-GFCCVEGCSA-N 0 3 315.410 2.473 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H]2CCC[C@@H]21 ZINC000625345781 365739713 /nfs/dbraw/zinc/73/97/13/365739713.db2.gz ZABQKQNHKQQFFP-YOEHRIQHSA-N 0 3 308.381 2.160 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)C1 ZINC000292599784 529801661 /nfs/dbraw/zinc/80/16/61/529801661.db2.gz RPYNEVXXQJNXHS-MRXNPFEDSA-N 0 3 305.328 2.004 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C#N)cn1)C(C)C ZINC000107779950 185492210 /nfs/dbraw/zinc/49/22/10/185492210.db2.gz URCYKHWAGZZBDF-KRWDZBQOSA-N 0 3 312.417 2.382 20 30 DEEDHN C[C@H](NC(=O)CSc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000272735682 210141382 /nfs/dbraw/zinc/14/13/82/210141382.db2.gz MBZMXJUIFNQTSJ-ZDUSSCGKSA-N 0 3 315.442 2.417 20 30 DEEDHN CN(CCCNC(=O)N1CC[C@](F)(C#N)C1)Cc1ccccc1 ZINC000615529181 362628972 /nfs/dbraw/zinc/62/89/72/362628972.db2.gz RZHCBOXAJUZEKP-KRWDZBQOSA-N 0 3 318.396 2.156 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H](COC)OC)ccc1OC ZINC000272707003 210110129 /nfs/dbraw/zinc/11/01/29/210110129.db2.gz ULOGGFFKXFKMLE-OAHLLOKOSA-N 0 3 309.406 2.401 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCSC3)C2=O)cc1 ZINC000272608858 210009964 /nfs/dbraw/zinc/00/99/64/210009964.db2.gz VTNVMPGDUQEYTF-HIFRSBDPSA-N 0 3 301.415 2.149 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193860588 539716280 /nfs/dbraw/zinc/71/62/80/539716280.db2.gz YUXHLCCTBVTLFF-OAHLLOKOSA-N 0 3 323.400 2.490 20 30 DEEDHN CC[C@@]1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1 ZINC000616865523 362952696 /nfs/dbraw/zinc/95/26/96/362952696.db2.gz SVOAJMFEEJQGLW-OAHLLOKOSA-N 0 3 307.781 2.309 20 30 DEEDHN C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2nnc(C3CC3)[n-]2)C1 ZINC001353688668 1151846551 /nfs/dbraw/zinc/84/65/51/1151846551.db2.gz OUXUCAKYNXRCOP-ZIAGYGMSSA-N 0 3 317.437 2.072 20 30 DEEDHN C#C[C@@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000186073552 186238627 /nfs/dbraw/zinc/23/86/27/186238627.db2.gz AJXAPBHQKGMHBJ-QGZVFWFLSA-N 0 3 313.445 2.358 20 30 DEEDHN N#C[C@H]1CCC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000332914928 539943758 /nfs/dbraw/zinc/94/37/58/539943758.db2.gz VFUDUPPAUPWGRV-GDBMZVCRSA-N 0 3 304.438 2.339 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000333426095 539959353 /nfs/dbraw/zinc/95/93/53/539959353.db2.gz SRARTTRBXNPKBW-HOCLYGCPSA-N 0 3 319.449 2.028 20 30 DEEDHN C=CCN1CCC(NC(=O)CNc2c(C)cccc2C)CC1 ZINC000173579071 198229699 /nfs/dbraw/zinc/22/96/99/198229699.db2.gz HWFKSRQKIYPQMU-UHFFFAOYSA-N 0 3 301.434 2.482 20 30 DEEDHN C[C@H]1CN(CCCNC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000277134061 213317335 /nfs/dbraw/zinc/31/73/35/213317335.db2.gz BBXUYNJKQCFMFU-AWEZNQCLSA-N 0 3 316.405 2.181 20 30 DEEDHN CCN1CCC(N(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000043064725 354211743 /nfs/dbraw/zinc/21/17/43/354211743.db2.gz SMDVLIVYWIPDQI-AWEZNQCLSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@@H]1C[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047097852 354305494 /nfs/dbraw/zinc/30/54/94/354305494.db2.gz LPHZBQHQXVZTCH-RHSMWYFYSA-N 0 3 314.433 2.287 20 30 DEEDHN CN(C)Cc1ccccc1CNC(=O)CNc1ccc(C#N)cc1 ZINC000050025583 354366459 /nfs/dbraw/zinc/36/64/59/354366459.db2.gz GYCHTFCLMAYDPP-UHFFFAOYSA-N 0 3 322.412 2.348 20 30 DEEDHN C=C(C)COc1cc(CNCCN2CCOCC2)ccc1OC ZINC000057958772 354585657 /nfs/dbraw/zinc/58/56/57/354585657.db2.gz RFCKMZGSNWBDSQ-UHFFFAOYSA-N 0 3 320.433 2.072 20 30 DEEDHN N#CC1(CCCN2CCC(O)(C(F)(F)F)CC2)CCOCC1 ZINC000330389829 283043691 /nfs/dbraw/zinc/04/36/91/283043691.db2.gz OCGGVNQBYLRZLE-UHFFFAOYSA-N 0 3 320.355 2.476 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CN(C)c2ccccc2)CC1 ZINC000106034181 355722063 /nfs/dbraw/zinc/72/20/63/355722063.db2.gz SPNXKZVWXPGOEE-UHFFFAOYSA-N 0 3 301.434 2.280 20 30 DEEDHN C[C@H](NCc1cccc(OCCCC#N)c1)[C@H]1CN(C)CCO1 ZINC000129353859 355833897 /nfs/dbraw/zinc/83/38/97/355833897.db2.gz CVHODFYOCPLMBO-MAUKXSAKSA-N 0 3 317.433 2.178 20 30 DEEDHN CC1(C)CN(CC#Cc2ccccc2Cl)CCN1CCO ZINC000682035109 542254059 /nfs/dbraw/zinc/25/40/59/542254059.db2.gz HQQDMXJDERXRLQ-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)COc1ccccc1C#N ZINC000132666973 355852429 /nfs/dbraw/zinc/85/24/29/355852429.db2.gz LLJKWKFYFFWTJD-IPYPFGDCSA-N 0 3 306.431 2.124 20 30 DEEDHN CC(C)OC1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000155154537 355946797 /nfs/dbraw/zinc/94/67/97/355946797.db2.gz LKZVFZJAXIOKFL-OFLPRAFFSA-N 0 3 315.417 2.410 20 30 DEEDHN CCN(Cc1ccc(C(=O)N[C@](C)(C#N)COC)cc1)C1CC1 ZINC000156134301 355950491 /nfs/dbraw/zinc/95/04/91/355950491.db2.gz FUJCRJBLTBJPAC-GOSISDBHSA-N 0 3 315.417 2.329 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180219809 356045951 /nfs/dbraw/zinc/04/59/51/356045951.db2.gz ZPEMAJTXOYRBPC-UHFFFAOYSA-N 0 3 314.433 2.451 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000182581973 356132175 /nfs/dbraw/zinc/13/21/75/356132175.db2.gz QVTJOULBSKOYBH-GDBMZVCRSA-N 0 3 300.406 2.110 20 30 DEEDHN N#Cc1ccc(CN[C@H](CO)[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000356383062 283147928 /nfs/dbraw/zinc/14/79/28/283147928.db2.gz BQFTTYYBNFPMCO-ZIAGYGMSSA-N 0 3 314.307 2.207 20 30 DEEDHN CCN(C)CCNC(=O)NCCSCc1ccccc1C#N ZINC000194834335 356246003 /nfs/dbraw/zinc/24/60/03/356246003.db2.gz YMFYNULVAUXIGC-UHFFFAOYSA-N 0 3 320.462 2.042 20 30 DEEDHN CC(C)O[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000404727191 283165316 /nfs/dbraw/zinc/16/53/16/283165316.db2.gz YASNDQKXGNJMNY-IAGOWNOFSA-N 0 3 318.417 2.187 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](c3ccco3)C2)cc1 ZINC000374009164 283183169 /nfs/dbraw/zinc/18/31/69/283183169.db2.gz VYMDJSKOKCQAJG-JKSUJKDBSA-N 0 3 312.369 2.380 20 30 DEEDHN C=CCN(CCC(=O)Nc1cccc(C#N)c1)[C@H](C)COC ZINC000595639628 358510081 /nfs/dbraw/zinc/51/00/81/358510081.db2.gz VQMDJIFUEOZVIV-CQSZACIVSA-N 0 3 301.390 2.410 20 30 DEEDHN CSC1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCN(C)CC1 ZINC000595634203 358508704 /nfs/dbraw/zinc/50/87/04/358508704.db2.gz GAIUNNBFVNKWNP-AWEZNQCLSA-N 0 3 324.494 2.149 20 30 DEEDHN C[C@H]1CCN(c2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000383107198 356678918 /nfs/dbraw/zinc/67/89/18/356678918.db2.gz JPSPGBYGCAJRCK-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN C=CCc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)cc(OC)c1OC ZINC000237248614 202205179 /nfs/dbraw/zinc/20/51/79/202205179.db2.gz RCEOOLAUSFKBKE-QWHCGFSZSA-N 0 3 318.417 2.255 20 30 DEEDHN C=CCC1(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CCC1 ZINC000276887107 213156390 /nfs/dbraw/zinc/15/63/90/213156390.db2.gz TVKXEVVTELWKJC-UHFFFAOYSA-N 0 3 303.406 2.095 20 30 DEEDHN C[C@@H](NC(=O)NCc1ccc(C#N)s1)C1=CCN(C)CC1 ZINC000579942333 357054938 /nfs/dbraw/zinc/05/49/38/357054938.db2.gz CJYODQVJMGCJLU-LLVKDONJSA-N 0 3 304.419 2.069 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(C#N)n1 ZINC000589332938 357464314 /nfs/dbraw/zinc/46/43/14/357464314.db2.gz NQVLRSNCQNHMAB-MJBXVCDLSA-N 0 3 300.406 2.049 20 30 DEEDHN CCC#C[C@@H](C)N1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000590747402 357599613 /nfs/dbraw/zinc/59/96/13/357599613.db2.gz GEUYZNFQHGWGDA-CQSZACIVSA-N 0 3 303.406 2.499 20 30 DEEDHN C[C@H]1NCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000591358168 357713578 /nfs/dbraw/zinc/71/35/78/357713578.db2.gz QFXYALFTDYZUSD-MNOVXSKESA-N 0 3 306.797 2.103 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000591615732 357744354 /nfs/dbraw/zinc/74/43/54/357744354.db2.gz SZTFDHBZZHSRBT-GJZGRUSLSA-N 0 3 303.431 2.324 20 30 DEEDHN Cc1occc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000591727836 357754005 /nfs/dbraw/zinc/75/40/05/357754005.db2.gz AEYGSXTUBOBOLX-INIZCTEOSA-N 0 3 300.358 2.184 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000591799392 357761985 /nfs/dbraw/zinc/76/19/85/357761985.db2.gz BJTWTFKGNVKTHS-IRXDYDNUSA-N 0 3 323.400 2.214 20 30 DEEDHN Cc1ccc(CN2CC[C@@](O)(CC#N)C2)c(-c2ccnn2C)c1 ZINC000592522444 357893815 /nfs/dbraw/zinc/89/38/15/357893815.db2.gz NGNSCUGJDFXVAW-SFHVURJKSA-N 0 3 310.401 2.246 20 30 DEEDHN CC[C@H](C)C[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592875698 357967384 /nfs/dbraw/zinc/96/73/84/357967384.db2.gz VFQYAIVGWBWAAJ-IAOVAPTHSA-N 0 3 313.401 2.154 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]([C@@H](C)O)C1)C(C)C ZINC000184852440 199773578 /nfs/dbraw/zinc/77/35/78/199773578.db2.gz WSRNFCWEZSBGGX-ZACQAIPSSA-N 0 3 323.481 2.097 20 30 DEEDHN C[C@@H](CO)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000593084697 358004842 /nfs/dbraw/zinc/00/48/42/358004842.db2.gz QMGXGGLTODZLRP-LBPRGKRZSA-N 0 3 321.446 2.289 20 30 DEEDHN CC[C@H](C#N)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000593456512 358082546 /nfs/dbraw/zinc/08/25/46/358082546.db2.gz CMYPNDDURPBDLK-SJORKVTESA-N 0 3 314.433 2.444 20 30 DEEDHN CC[C@@H](C#N)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000593543399 358100168 /nfs/dbraw/zinc/10/01/68/358100168.db2.gz AGAVLPRTKCJFNM-KBPBESRZSA-N 0 3 300.406 2.273 20 30 DEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000593557506 358102533 /nfs/dbraw/zinc/10/25/33/358102533.db2.gz DALZXBSMLKOMNZ-PRHODGIISA-N 0 3 312.728 2.359 20 30 DEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000593745010 358135487 /nfs/dbraw/zinc/13/54/87/358135487.db2.gz YBCLYCLFGVMTMK-LBPRGKRZSA-N 0 3 305.378 2.124 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000593904868 358168617 /nfs/dbraw/zinc/16/86/17/358168617.db2.gz FTBLTDQNFATKRZ-CYBMUJFWSA-N 0 3 321.380 2.245 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000594218166 358226422 /nfs/dbraw/zinc/22/64/22/358226422.db2.gz GVKMOAMUYKIQTE-CQSZACIVSA-N 0 3 311.429 2.480 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594196145 358220920 /nfs/dbraw/zinc/22/09/20/358220920.db2.gz LAPUXDZMEVHMMP-JKSUJKDBSA-N 0 3 301.365 2.444 20 30 DEEDHN N#Cc1cnc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594198259 358221563 /nfs/dbraw/zinc/22/15/63/358221563.db2.gz TZXRPAQDGWSHRT-KGLIPLIRSA-N 0 3 318.808 2.353 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)C1=CCN(C)CC1 ZINC000329842621 404469471 /nfs/dbraw/zinc/46/94/71/404469471.db2.gz KKSVQPKCCXOJFZ-CWRNSKLLSA-N 0 3 323.481 2.280 20 30 DEEDHN CCN1CCC(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618797328 363604582 /nfs/dbraw/zinc/60/45/82/363604582.db2.gz PGHSAXPHKZOLQV-KRWDZBQOSA-N 0 3 312.417 2.329 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CC#N)C2)cc1 ZINC000594807022 358340986 /nfs/dbraw/zinc/34/09/86/358340986.db2.gz SSZCQEBIXFHAJE-CQSZACIVSA-N 0 3 321.446 2.063 20 30 DEEDHN CS(=O)(=O)c1ccc(CNCCc2ccc(C#N)cc2)s1 ZINC000594955267 358368481 /nfs/dbraw/zinc/36/84/81/358368481.db2.gz MHCNPSRNGLMPDM-UHFFFAOYSA-N 0 3 320.439 2.356 20 30 DEEDHN N#Cc1ccc(CCNC(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000595265468 358408981 /nfs/dbraw/zinc/40/89/81/358408981.db2.gz PHSUQKBZPHLHPX-UHFFFAOYSA-N 0 3 320.396 2.203 20 30 DEEDHN C=CCC1(CNC(=O)C(=O)Nc2cccc(CN)c2)CCCC1 ZINC000667184689 540410111 /nfs/dbraw/zinc/41/01/11/540410111.db2.gz ZWMPXYOOUAJYPL-UHFFFAOYSA-N 0 3 315.417 2.337 20 30 DEEDHN Cc1cc(NCC2CCN(Cc3ccncc3)CC2)c(C#N)cn1 ZINC000596437850 358686765 /nfs/dbraw/zinc/68/67/65/358686765.db2.gz YGZAGSYOUXSTJV-UHFFFAOYSA-N 0 3 321.428 2.403 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596670999 358737248 /nfs/dbraw/zinc/73/72/48/358737248.db2.gz GTSGGEXPPMLSAA-RHSMWYFYSA-N 0 3 314.433 2.082 20 30 DEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CC1(C#N)CCCCC1 ZINC000597159592 358838393 /nfs/dbraw/zinc/83/83/93/358838393.db2.gz PJEHWUZKGYVGKB-MRXNPFEDSA-N 0 3 321.465 2.420 20 30 DEEDHN CS[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@@H]1N(C)C ZINC000597444431 358919045 /nfs/dbraw/zinc/91/90/45/358919045.db2.gz ACSSSXPNGDPSRR-UONOGXRCSA-N 0 3 309.479 2.355 20 30 DEEDHN N#CC1(CC(=O)NC2CCN([C@H]3CCOC3)CC2)CCCCC1 ZINC000597382580 358904366 /nfs/dbraw/zinc/90/43/66/358904366.db2.gz RPWBQUBCNYMMTL-INIZCTEOSA-N 0 3 319.449 2.220 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000597924907 359043310 /nfs/dbraw/zinc/04/33/10/359043310.db2.gz UWDIZYDGZJSUSL-OAHLLOKOSA-N 0 3 314.433 2.227 20 30 DEEDHN COc1ccc(OCCN(C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598588040 359251110 /nfs/dbraw/zinc/25/11/10/359251110.db2.gz YCVDSDCUBFFJOF-CQSZACIVSA-N 0 3 306.406 2.307 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCN(CCc2ccccc2)CC1 ZINC000598587204 359252161 /nfs/dbraw/zinc/25/21/61/359252161.db2.gz PEVYJTXQCGJGOH-GOSISDBHSA-N 0 3 315.461 2.147 20 30 DEEDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590543 359252766 /nfs/dbraw/zinc/25/27/66/359252766.db2.gz OHFOERDCGDLZFZ-HOCLYGCPSA-N 0 3 323.481 2.160 20 30 DEEDHN COc1cc(CNC[C@H](O)CC(C)(C)C#N)cc(OC)c1OC ZINC000598703123 359297965 /nfs/dbraw/zinc/29/79/65/359297965.db2.gz CNDONNRTIOKZAX-CYBMUJFWSA-N 0 3 322.405 2.103 20 30 DEEDHN COCCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598715506 359303018 /nfs/dbraw/zinc/30/30/18/359303018.db2.gz SBOSOFGMSGOTIK-HNNXBMFYSA-N 0 3 306.406 2.102 20 30 DEEDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C#N)c(OC)c1OC ZINC000598715038 359303075 /nfs/dbraw/zinc/30/30/75/359303075.db2.gz LSMVRURSQGQWMG-ZDUSSCGKSA-N 0 3 322.405 2.103 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc2c1OC(F)(F)O2 ZINC000598729860 359307637 /nfs/dbraw/zinc/30/76/37/359307637.db2.gz NZBROAIZQXPVPO-NSHDSACASA-N 0 3 312.316 2.398 20 30 DEEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1cncc(F)c1 ZINC000599360470 359477268 /nfs/dbraw/zinc/47/72/68/359477268.db2.gz APYWEIGCPBTLJO-LRDDRELGSA-N 0 3 315.348 2.183 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000187727089 200150177 /nfs/dbraw/zinc/15/01/77/200150177.db2.gz ZXNPBZACQWQYDG-ZIAGYGMSSA-N 0 3 305.447 2.281 20 30 DEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC1(N(C)C)CCC1 ZINC000187880690 200171096 /nfs/dbraw/zinc/17/10/96/200171096.db2.gz GQYVNKUJXLACGM-CQSZACIVSA-N 0 3 314.433 2.301 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)Cc1ccc(Br)cc1 ZINC000188381478 200237570 /nfs/dbraw/zinc/23/75/70/200237570.db2.gz LUGOMLMDSOMCCT-LLVKDONJSA-N 0 3 311.223 2.272 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cccc(COC)c2)CC1 ZINC000189277451 200375213 /nfs/dbraw/zinc/37/52/13/200375213.db2.gz HXJLTJBRFOZPAK-UHFFFAOYSA-N 0 3 302.418 2.142 20 30 DEEDHN CN(C)CCOc1cc(C(=O)N(C)c2cccc(C#N)c2)ccn1 ZINC000602243569 360321580 /nfs/dbraw/zinc/32/15/80/360321580.db2.gz KXEKCTOLKQNZJA-UHFFFAOYSA-N 0 3 324.384 2.170 20 30 DEEDHN COc1ccccc1C[C@](C)(CO)NCc1cccc(C#N)n1 ZINC000602744154 360532343 /nfs/dbraw/zinc/53/23/43/360532343.db2.gz YHZXYOFRSUQLDV-GOSISDBHSA-N 0 3 311.385 2.045 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)Nc3cc(F)cc(C#N)c3)[C@@H]2C1 ZINC000603073423 360690216 /nfs/dbraw/zinc/69/02/16/360690216.db2.gz UPONYFNRNNPXFD-SWLSCSKDSA-N 0 3 302.353 2.255 20 30 DEEDHN CN(C)[C@@H](CNC(=O)Nc1ccnc(C#N)c1)Cc1ccccc1 ZINC000603140445 360717677 /nfs/dbraw/zinc/71/76/77/360717677.db2.gz UGQUPOOIYFWHGA-QGZVFWFLSA-N 0 3 323.400 2.248 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000443677420 238120892 /nfs/dbraw/zinc/12/08/92/238120892.db2.gz ZBGLOGYYDGEFMY-BETUJISGSA-N 0 3 321.446 2.239 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)C[C@@H]1C ZINC001328254643 1148755732 /nfs/dbraw/zinc/75/57/32/1148755732.db2.gz FJHAMEIRTJTIMW-NWDGAFQWSA-N 0 3 302.340 2.321 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000669578106 540867655 /nfs/dbraw/zinc/86/76/55/540867655.db2.gz FRGIXUGQLPJARN-NVXWUHKLSA-N 0 3 315.417 2.070 20 30 DEEDHN C[C@H]1CN(CCNCc2cccc(OCCCC#N)c2)CCO1 ZINC000609223664 361290628 /nfs/dbraw/zinc/29/06/28/361290628.db2.gz ZZVSHECUASGCNI-INIZCTEOSA-N 0 3 317.433 2.179 20 30 DEEDHN CN1CC[C@@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000609574059 361322602 /nfs/dbraw/zinc/32/26/02/361322602.db2.gz KNOCUXDIROTEBT-DGCLKSJQSA-N 0 3 311.307 2.338 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@H]2CCc3ccccc3C2)C(N)=O)cc1 ZINC000609768670 361338682 /nfs/dbraw/zinc/33/86/82/361338682.db2.gz GZYNOALXBAJEAR-KXBFYZLASA-N 0 3 319.408 2.479 20 30 DEEDHN CCN(C[C@@H]1CCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619364548 363773081 /nfs/dbraw/zinc/77/30/81/363773081.db2.gz IQXPZCUBEJDWBI-DLBZAZTESA-N 0 3 311.385 2.126 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000610404756 361395291 /nfs/dbraw/zinc/39/52/91/361395291.db2.gz ZMHLLVCXDQYWJE-DVOMOZLQSA-N 0 3 300.406 2.401 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)NCc1ccc(C#N)cc1 ZINC000610719117 361451532 /nfs/dbraw/zinc/45/15/32/361451532.db2.gz DSKGECSOKUAVSO-MRXNPFEDSA-N 0 3 300.406 2.232 20 30 DEEDHN N#Cc1cc(CN2CCCN(C[C@H]3CCCO3)CC2)ccc1F ZINC000610719824 361452536 /nfs/dbraw/zinc/45/25/36/361452536.db2.gz JYHQIPIZTQAFEA-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN N#Cc1cccc(CN2CCCN(C[C@H]3CCCO3)CC2)c1F ZINC000611371157 361586935 /nfs/dbraw/zinc/58/69/35/361586935.db2.gz MAJWZQWVRLYUBX-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN CC[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CCCO1 ZINC000281544183 216372534 /nfs/dbraw/zinc/37/25/34/216372534.db2.gz XCNNERKUDUIFIO-HNNXBMFYSA-N 0 3 301.390 2.388 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC(C)(C)C#N)C1 ZINC000611637891 361651930 /nfs/dbraw/zinc/65/19/30/361651930.db2.gz ZSUOOACFXCMEAU-INIZCTEOSA-N 0 3 314.433 2.452 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611705019 361661413 /nfs/dbraw/zinc/66/14/13/361661413.db2.gz QZCKMTQLCLKGKW-MJGOQNOKSA-N 0 3 316.445 2.294 20 30 DEEDHN CN1CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619826997 363882336 /nfs/dbraw/zinc/88/23/36/363882336.db2.gz QEBCJMMFPWYLNC-UHFFFAOYSA-N 0 3 306.797 2.059 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000677478626 541594905 /nfs/dbraw/zinc/59/49/05/541594905.db2.gz BYLWAIFHKYVOIZ-QGZVFWFLSA-N 0 3 302.418 2.126 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000092162046 193169059 /nfs/dbraw/zinc/16/90/59/193169059.db2.gz IFFVULGJKJFDOY-UHFFFAOYSA-N 0 3 301.390 2.489 20 30 DEEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000678754791 541761797 /nfs/dbraw/zinc/76/17/97/541761797.db2.gz NNXJOLSJSNCHFP-KBPBESRZSA-N 0 3 308.447 2.389 20 30 DEEDHN C=C(C)COc1cc(CNC[C@]2(C)CCC(=O)N2)ccc1OC ZINC000453584401 245193668 /nfs/dbraw/zinc/19/36/68/245193668.db2.gz DXFNAMQIKWTLTP-SFHVURJKSA-N 0 3 318.417 2.408 20 30 DEEDHN CCCCOCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000265396656 204580575 /nfs/dbraw/zinc/58/05/75/204580575.db2.gz RBMQTBRCVLGWFJ-UHFFFAOYSA-N 0 3 317.433 2.265 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H](CCO)COC)ccc1OC ZINC000265744969 204838491 /nfs/dbraw/zinc/83/84/91/204838491.db2.gz GESHANQVGPVCFS-HNNXBMFYSA-N 0 3 309.406 2.137 20 30 DEEDHN C[C@H](CNCc1cc(C#N)n(C)c1)N(C)C(=O)OC(C)(C)C ZINC000282704469 217189504 /nfs/dbraw/zinc/18/95/04/217189504.db2.gz MHJKBORESJGZLZ-GFCCVEGCSA-N 0 3 306.410 2.242 20 30 DEEDHN Cn1cc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C#N ZINC000282893136 217306405 /nfs/dbraw/zinc/30/64/05/217306405.db2.gz DSTOQMNBODGTJI-MRXNPFEDSA-N 0 3 323.400 2.293 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCC[C@H]2CCOC2)CC1 ZINC000454464965 245794304 /nfs/dbraw/zinc/79/43/04/245794304.db2.gz OFTUNPZNWPWFAQ-HNNXBMFYSA-N 0 3 309.454 2.143 20 30 DEEDHN C[C@H](Cc1cnn(C)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456439658 247193158 /nfs/dbraw/zinc/19/31/58/247193158.db2.gz QIRMGTGEWVDAFT-PBHICJAKSA-N 0 3 310.401 2.240 20 30 DEEDHN CO[C@@H]([C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000456592579 247294297 /nfs/dbraw/zinc/29/42/97/247294297.db2.gz YBNUNGJAFDYKMK-ZLIFDBKOSA-N 0 3 311.385 2.170 20 30 DEEDHN C=CCOc1ccc(/C=C\C(=O)N2CCCNCC2)cc1OC ZINC000493134423 249230385 /nfs/dbraw/zinc/23/03/85/249230385.db2.gz ACJKQFFGRDUFRJ-VURMDHGXSA-N 0 3 316.401 2.095 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C[C@@H](C)O)C1CCCCC1 ZINC000104683685 194025780 /nfs/dbraw/zinc/02/57/80/194025780.db2.gz BSKXOQHSTGKQMN-HUUCEWRRSA-N 0 3 309.454 2.010 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H](C)[C@H]2CCOC2)c(C#N)c1C ZINC000273973339 211229312 /nfs/dbraw/zinc/22/93/12/211229312.db2.gz HSVULZXGBQWZTI-PWSUYJOCSA-N 0 3 307.419 2.190 20 30 DEEDHN C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000105153978 194079762 /nfs/dbraw/zinc/07/97/62/194079762.db2.gz MSEZNHWVJNEEOI-CJNGLKHVSA-N 0 3 300.406 2.355 20 30 DEEDHN C[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N(C)C1CC1 ZINC000105267705 194090789 /nfs/dbraw/zinc/09/07/89/194090789.db2.gz WOEGBQDOZZGWOD-ZDUSSCGKSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2csc(COC)n2)CC1 ZINC000106034020 194181514 /nfs/dbraw/zinc/18/15/14/194181514.db2.gz VYMQQRJMIRESSZ-UHFFFAOYSA-N 0 3 309.435 2.060 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2C)CC1 ZINC000106349248 194199336 /nfs/dbraw/zinc/19/93/36/194199336.db2.gz AUAGBXZGYCIOKK-UHFFFAOYSA-N 0 3 315.417 2.090 20 30 DEEDHN COc1ccccc1[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424118368 532988421 /nfs/dbraw/zinc/98/84/21/532988421.db2.gz DHITXERVRLUUIA-UKRRQHHQSA-N 0 3 301.390 2.032 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000119711301 195023209 /nfs/dbraw/zinc/02/32/09/195023209.db2.gz UNDGSOYTWDLCLX-NSHDSACASA-N 0 3 307.344 2.441 20 30 DEEDHN CC1(C)CN(C[C@@H](O)COc2ccccc2C#N)CCS1 ZINC000158760678 197298943 /nfs/dbraw/zinc/29/89/43/197298943.db2.gz ROELBJPSMSERLG-CQSZACIVSA-N 0 3 306.431 2.125 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000490922449 533148493 /nfs/dbraw/zinc/14/84/93/533148493.db2.gz DLVRFNXKOIMYGE-IRXDYDNUSA-N 0 3 306.450 2.042 20 30 DEEDHN N#Cc1cnn2cc(CNCCCOc3ccccc3)cnc12 ZINC000559273238 291912211 /nfs/dbraw/zinc/91/22/11/291912211.db2.gz KQWWNRYXEANDHN-UHFFFAOYSA-N 0 3 307.357 2.160 20 30 DEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c(F)c1 ZINC000559465791 291914767 /nfs/dbraw/zinc/91/47/67/291914767.db2.gz BRKYJKSZQSUVIE-IAGOWNOFSA-N 0 3 304.365 2.107 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccc(C#N)cc1 ZINC000120650393 195208582 /nfs/dbraw/zinc/20/85/82/195208582.db2.gz JZSPSPRTEJEEOT-BBRMVZONSA-N 0 3 317.458 2.449 20 30 DEEDHN CN(CCC(N)=O)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000289521181 221037709 /nfs/dbraw/zinc/03/77/09/221037709.db2.gz HDVCYTQCWWQLNK-UHFFFAOYSA-N 0 3 323.396 2.444 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001212187424 781979842 /nfs/dbraw/zinc/97/98/42/781979842.db2.gz SFJOHTMWHYVNHH-MGSINWNPSA-N 0 3 306.450 2.352 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CNc1ccc(C#N)cc1 ZINC000330717125 533591875 /nfs/dbraw/zinc/59/18/75/533591875.db2.gz ABIFYLBXMDLCPM-CQSZACIVSA-N 0 3 314.433 2.159 20 30 DEEDHN COC(=O)COC[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000418149476 533547256 /nfs/dbraw/zinc/54/72/56/533547256.db2.gz VCHMOBOAGVEHQR-WBMJQRKESA-N 0 3 302.374 2.103 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000685596178 542742250 /nfs/dbraw/zinc/74/22/50/542742250.db2.gz JEOSGKUZHQCOQU-CVEARBPZSA-N 0 3 310.800 2.464 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC000355333737 133018103 /nfs/dbraw/zinc/01/81/03/133018103.db2.gz COUWFGHEFUNWER-IPYPFGDCSA-N 0 3 301.390 2.290 20 30 DEEDHN CSC1(CNC(=O)c2cc(C#N)oc2C)CCN(C)CC1 ZINC000355449412 133027932 /nfs/dbraw/zinc/02/79/32/133027932.db2.gz WUMVQNVKCNNUCT-UHFFFAOYSA-N 0 3 307.419 2.017 20 30 DEEDHN Cn1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1C#N ZINC000359732454 133141854 /nfs/dbraw/zinc/14/18/54/133141854.db2.gz QOLNTKSSYQJRSF-HZPDHXFCSA-N 0 3 319.355 2.224 20 30 DEEDHN Cc1ccnc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1C#N ZINC000360323578 133176001 /nfs/dbraw/zinc/17/60/01/133176001.db2.gz PVUQCGBYTKWBRK-DLBZAZTESA-N 0 3 322.412 2.309 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)n1cncn1 ZINC001099023857 781998010 /nfs/dbraw/zinc/99/80/10/781998010.db2.gz VIDSMMVVACJTQN-HUUCEWRRSA-N 0 3 319.453 2.022 20 30 DEEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C)o1)C(C)C ZINC000297175302 404484617 /nfs/dbraw/zinc/48/46/17/404484617.db2.gz AHTJLSKREQIZRZ-INIZCTEOSA-N 0 3 305.422 2.319 20 30 DEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2cncn2)cc1 ZINC000190694129 145046104 /nfs/dbraw/zinc/04/61/04/145046104.db2.gz XBIPLHFUIPPHMZ-CYBMUJFWSA-N 0 3 306.373 2.328 20 30 DEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1O ZINC000249582505 145187253 /nfs/dbraw/zinc/18/72/53/145187253.db2.gz RRTIJCNWXLSVQM-CXAGYDPISA-N 0 3 310.401 2.161 20 30 DEEDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000320551618 145375050 /nfs/dbraw/zinc/37/50/50/145375050.db2.gz SGCQLCXQXOXRCC-OAHLLOKOSA-N 0 3 314.433 2.303 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000346132669 146020576 /nfs/dbraw/zinc/02/05/76/146020576.db2.gz ADGIYVAFIYCUMI-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CN(C)C ZINC000346156542 146026099 /nfs/dbraw/zinc/02/60/99/146026099.db2.gz AZRPMXSLOCRYPN-CZUORRHYSA-N 0 3 303.406 2.028 20 30 DEEDHN C[C@H](c1cnn(C)c1)N(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000348920078 146329503 /nfs/dbraw/zinc/32/95/03/146329503.db2.gz OJXQBOPONUKTJJ-CYBMUJFWSA-N 0 3 311.389 2.313 20 30 DEEDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000375419887 148369840 /nfs/dbraw/zinc/36/98/40/148369840.db2.gz NECCOZSCZPQBMF-JYJNAYRXSA-N 0 3 306.431 2.372 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@@H](CC)C2)CC1 ZINC000111495954 401717085 /nfs/dbraw/zinc/71/70/85/401717085.db2.gz SXIZSXGIPKBBHH-ZBFHGGJFSA-N 0 3 309.454 2.236 20 30 DEEDHN Cc1cc(Cl)ccc1CNCCNC(=O)C1N=CC=CC1=O ZINC000129704680 401807387 /nfs/dbraw/zinc/80/73/87/401807387.db2.gz SUUKSCYLPPZXFV-NXVVXOECSA-N 0 3 319.792 2.264 20 30 DEEDHN C[C@@H](CNC[C@H](O)COc1ccc(C#N)cc1)C(F)(F)F ZINC000566130697 292208576 /nfs/dbraw/zinc/20/85/76/292208576.db2.gz FCQYLRBDFRDBBG-JQWIXIFHSA-N 0 3 302.296 2.086 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C)nc1C)C(C)C ZINC000113185489 401769117 /nfs/dbraw/zinc/76/91/17/401769117.db2.gz PSXHRMGMLXUQSG-INIZCTEOSA-N 0 3 304.438 2.157 20 30 DEEDHN C#CCCOc1ccc(CNCCNC(=O)c2ccco2)cc1 ZINC000113317150 401775997 /nfs/dbraw/zinc/77/59/97/401775997.db2.gz SQITVWLIHAYVIM-UHFFFAOYSA-N 0 3 312.369 2.201 20 30 DEEDHN COc1ccc(CCCN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115597917 401833654 /nfs/dbraw/zinc/83/36/54/401833654.db2.gz KGZZBVNXWXYZHJ-SFHVURJKSA-N 0 3 323.396 2.316 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COCc1ccco1 ZINC000027208100 401844144 /nfs/dbraw/zinc/84/41/44/401844144.db2.gz PVANACARTZJQIK-INIZCTEOSA-N 0 3 300.358 2.161 20 30 DEEDHN N#Cc1ccc(OCCN(CCC(N)=O)Cc2ccccc2)cc1 ZINC000027547680 401846033 /nfs/dbraw/zinc/84/60/33/401846033.db2.gz GNXQSGVKVSKLCZ-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCCCCC1 ZINC000030001371 401860655 /nfs/dbraw/zinc/86/06/55/401860655.db2.gz WUZSDWYKJZJHLP-OAHLLOKOSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cc(C)cc1C ZINC000078700511 401862578 /nfs/dbraw/zinc/86/25/78/401862578.db2.gz SXOOMFALBQGXGR-AWEZNQCLSA-N 0 3 309.431 2.217 20 30 DEEDHN CC(C)(C#N)c1ccccc1CN1CCC(NC(N)=O)CC1 ZINC000135260642 401932468 /nfs/dbraw/zinc/93/24/68/401932468.db2.gz NAROFTMZOQOGDH-UHFFFAOYSA-N 0 3 300.406 2.120 20 30 DEEDHN C=CCCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000117871915 401886341 /nfs/dbraw/zinc/88/63/41/401886341.db2.gz CLDPHBWKZQMQIW-UHFFFAOYSA-N 0 3 314.476 2.457 20 30 DEEDHN C=CCNC(=O)CN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084680959 401909314 /nfs/dbraw/zinc/90/93/14/401909314.db2.gz CCSRRJPWQHIEJC-UHFFFAOYSA-N 0 3 307.482 2.121 20 30 DEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(C(=O)OC)cc1 ZINC000046444508 401970129 /nfs/dbraw/zinc/97/01/29/401970129.db2.gz GBIQQRMWFSROIR-OAHLLOKOSA-N 0 3 307.390 2.111 20 30 DEEDHN CN(C)CCNC(=O)/C=C/c1cn(CCC#N)c2ccccc12 ZINC000120326607 401986672 /nfs/dbraw/zinc/98/66/72/401986672.db2.gz RKEGSYFEICGPOM-CMDGGOBGSA-N 0 3 310.401 2.246 20 30 DEEDHN N#Cc1ccc(OCCN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000135546002 401944379 /nfs/dbraw/zinc/94/43/79/401944379.db2.gz AHGYPGNEPUQKPP-JKSUJKDBSA-N 0 3 304.415 2.143 20 30 DEEDHN C=CCCS(=O)(=O)NC1CCN(C2CCCCC2)CC1 ZINC000121202475 402019730 /nfs/dbraw/zinc/01/97/30/402019730.db2.gz SJQBDJLJCHDTOQ-UHFFFAOYSA-N 0 3 300.468 2.279 20 30 DEEDHN CC(C)CN1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000049969978 402023316 /nfs/dbraw/zinc/02/33/16/402023316.db2.gz XGLATZQLDMARHJ-UHFFFAOYSA-N 0 3 320.462 2.222 20 30 DEEDHN C#CCCOc1ccc(CN[C@H](C)CO[C@@H]2CCOC2)cc1 ZINC000151233840 402024469 /nfs/dbraw/zinc/02/44/69/402024469.db2.gz WZHIZRVGEZVDHK-CRAIPNDOSA-N 0 3 303.402 2.372 20 30 DEEDHN C=CCN(CC(=O)NC1CCN(CC)CC1)Cc1cccs1 ZINC000050274481 402026563 /nfs/dbraw/zinc/02/65/63/402026563.db2.gz VVANFGPBIJYUKR-UHFFFAOYSA-N 0 3 321.490 2.337 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000121872639 402055280 /nfs/dbraw/zinc/05/52/80/402055280.db2.gz VDFILALUJDOGHZ-UHFFFAOYSA-N 0 3 321.465 2.382 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1C1CCCC1 ZINC000097267718 402120742 /nfs/dbraw/zinc/12/07/42/402120742.db2.gz GWVACZRXRQXLFY-INIZCTEOSA-N 0 3 302.422 2.297 20 30 DEEDHN C=CCc1ccc(OCC(=O)NC2CCN(C)CC2)c(OC)c1 ZINC000122982172 402104319 /nfs/dbraw/zinc/10/43/19/402104319.db2.gz GSSFGUGFEHXSAZ-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN N#CC1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000061040376 402106825 /nfs/dbraw/zinc/10/68/25/402106825.db2.gz PZTSVPPTQJJFQM-OAHLLOKOSA-N 0 3 308.809 2.453 20 30 DEEDHN C#CCOCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000153095949 402126510 /nfs/dbraw/zinc/12/65/10/402126510.db2.gz MNNDJQDDXQWQCH-KRWDZBQOSA-N 0 3 314.429 2.149 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H](C(C)C)N1CCOCC1 ZINC000066350814 402131639 /nfs/dbraw/zinc/13/16/39/402131639.db2.gz SRYJAUJHYXUYNN-GOSISDBHSA-N 0 3 316.445 2.145 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC1CCN(C)CC1 ZINC000124635212 402189418 /nfs/dbraw/zinc/18/94/18/402189418.db2.gz LVLMTGLTFNSFJO-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000108854224 402263381 /nfs/dbraw/zinc/26/33/81/402263381.db2.gz QVLXVMVJAGMMFY-UHFFFAOYSA-N 0 3 321.384 2.306 20 30 DEEDHN CCN(CC(C)(C)O)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000158219432 402303462 /nfs/dbraw/zinc/30/34/62/402303462.db2.gz OVCIQGOBGAGSNO-OAHLLOKOSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOC(C)(C)C2)CC1 ZINC000163365968 402447714 /nfs/dbraw/zinc/44/77/14/402447714.db2.gz DAYINFZMLCUWHJ-OAHLLOKOSA-N 0 3 309.454 2.284 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000164284213 402461309 /nfs/dbraw/zinc/46/13/09/402461309.db2.gz IESDYGKJGZLEHB-DOMZBBRYSA-N 0 3 319.355 2.393 20 30 DEEDHN C#CCOCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000165453483 402476081 /nfs/dbraw/zinc/47/60/81/402476081.db2.gz WSIPZGSSHGJHHW-WMZOPIPTSA-N 0 3 312.413 2.169 20 30 DEEDHN CN(C)C1(CN(C)CC(=O)N(C)C2(C#N)CCCCC2)CCC1 ZINC000186997605 402477417 /nfs/dbraw/zinc/47/74/17/402477417.db2.gz WPODSHQXGNHBJN-UHFFFAOYSA-N 0 3 320.481 2.087 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)CN2CCCC2=O)cc1 ZINC000178492808 402503521 /nfs/dbraw/zinc/50/35/21/402503521.db2.gz FZUORYWJTQGTAH-GJZGRUSLSA-N 0 3 300.402 2.360 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@H](OCC)C2(C)C)CC1 ZINC000178669344 402524001 /nfs/dbraw/zinc/52/40/01/402524001.db2.gz OVFBUCFAEODZSY-HOTGVXAUSA-N 0 3 323.481 2.482 20 30 DEEDHN CCN(Cc1cc(=O)n2nccc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170884468 402537408 /nfs/dbraw/zinc/53/74/08/402537408.db2.gz NLROWLDLUCVCGU-ZDUSSCGKSA-N 0 3 321.384 2.477 20 30 DEEDHN COc1ccc(CNCC2(C)OCCO2)cc1OCCCC#N ZINC000179556092 402594330 /nfs/dbraw/zinc/59/43/30/402594330.db2.gz ONQDCGSYMNRDOX-UHFFFAOYSA-N 0 3 320.389 2.230 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(O)c2)CC1 ZINC000171600305 402599827 /nfs/dbraw/zinc/59/98/27/402599827.db2.gz BJFMCQHKLZQGKH-UHFFFAOYSA-N 0 3 303.406 2.232 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000171630584 402603241 /nfs/dbraw/zinc/60/32/41/402603241.db2.gz TURYQROOEWFAKH-HNNXBMFYSA-N 0 3 323.400 2.490 20 30 DEEDHN O=C(NCCN[C@H]1CCCc2ccccc21)C1N=CC=CC1=O ZINC000180875928 402628576 /nfs/dbraw/zinc/62/85/76/402628576.db2.gz ZOMYFOBXQKFZAB-DVEDPGPFSA-N 0 3 311.385 2.180 20 30 DEEDHN CCN(CCNCc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000190931059 402632401 /nfs/dbraw/zinc/63/24/01/402632401.db2.gz KOMFTNBCLVRDTR-UHFFFAOYSA-N 0 3 306.410 2.243 20 30 DEEDHN CN(C(=O)/C=C\c1ccc(OCC#N)cc1)[C@@H]1CCCN(C)C1 ZINC000255057554 402676842 /nfs/dbraw/zinc/67/68/42/402676842.db2.gz KQBQHKYIALNCQV-BSDKJSHOSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255313778 402683252 /nfs/dbraw/zinc/68/32/52/402683252.db2.gz MZYRFRMFYFUZJV-YVMONPNESA-N 0 3 315.373 2.375 20 30 DEEDHN CC(C)(CNC(=O)Nc1ccn(CCC#N)n1)N1CCCCC1 ZINC000173376920 402695035 /nfs/dbraw/zinc/69/50/35/402695035.db2.gz RCZVYNINYYWKDI-UHFFFAOYSA-N 0 3 318.425 2.183 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCO2)c(C#N)c1C ZINC000183128522 402741623 /nfs/dbraw/zinc/74/16/23/402741623.db2.gz CYHDEMOEIBGISC-MJVIPROJSA-N 0 3 305.378 2.252 20 30 DEEDHN N#CCCCS(=O)(=O)NC1CCN(C2CCCCC2)CC1 ZINC000175415051 402804869 /nfs/dbraw/zinc/80/48/69/402804869.db2.gz KKCNLAMDNHNINU-UHFFFAOYSA-N 0 3 313.467 2.007 20 30 DEEDHN COCCCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1 ZINC000263804872 402806335 /nfs/dbraw/zinc/80/63/35/402806335.db2.gz RIOYMJUVMSKOAW-UHFFFAOYSA-N 0 3 302.422 2.483 20 30 DEEDHN COCCCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000264058072 402835483 /nfs/dbraw/zinc/83/54/83/402835483.db2.gz VHKVLKVQVVKMKD-UHFFFAOYSA-N 0 3 301.434 2.493 20 30 DEEDHN C=C(C)CS(=O)(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000184391779 402839875 /nfs/dbraw/zinc/83/98/75/402839875.db2.gz RTBBFXJHARWKSN-UHFFFAOYSA-N 0 3 322.474 2.455 20 30 DEEDHN N#Cc1ccc(OCCN2CCC(N3CCCC3=O)CC2)cc1 ZINC000264170953 402854067 /nfs/dbraw/zinc/85/40/67/402854067.db2.gz HTHLLZWRTRBLPR-UHFFFAOYSA-N 0 3 313.401 2.024 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(OCC)c(F)c2)CC1 ZINC000264296751 402864725 /nfs/dbraw/zinc/86/47/25/402864725.db2.gz JBOINMZYKGOSEN-UHFFFAOYSA-N 0 3 318.392 2.186 20 30 DEEDHN CC(C)(C#N)CC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000278683111 402869675 /nfs/dbraw/zinc/86/96/75/402869675.db2.gz GYIUTEPDPJYPIY-UHFFFAOYSA-N 0 3 300.406 2.354 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(C(C)=O)cc2)CC1 ZINC000264444042 402878783 /nfs/dbraw/zinc/87/87/83/402878783.db2.gz AYQPAXXROGUGGT-UHFFFAOYSA-N 0 3 300.402 2.198 20 30 DEEDHN CCN1CCN([C@H]2CCN(c3ccc(Cl)cc3C#N)C2)CC1 ZINC000264446623 402879413 /nfs/dbraw/zinc/87/94/13/402879413.db2.gz XWYAUXCCTNGGKT-INIZCTEOSA-N 0 3 318.852 2.428 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOc2ccc(C)cc2)CC1 ZINC000264454199 402880112 /nfs/dbraw/zinc/88/01/12/402880112.db2.gz ZDQOXRLXXIEPRG-UHFFFAOYSA-N 0 3 317.433 2.323 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@H](C)C#N ZINC000271896353 402885447 /nfs/dbraw/zinc/88/54/47/402885447.db2.gz NZBSUNADCULDEV-HUUCEWRRSA-N 0 3 302.422 2.308 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000278921155 402886151 /nfs/dbraw/zinc/88/61/51/402886151.db2.gz KMZMWDDBZJDXCN-MSOLQXFVSA-N 0 3 309.413 2.347 20 30 DEEDHN Cc1cc(NC(=O)N2CCCN(C(C)C)CC2)nn1CCC#N ZINC000272054723 402892100 /nfs/dbraw/zinc/89/21/00/402892100.db2.gz HWBXYKWXBUPWTJ-UHFFFAOYSA-N 0 3 318.425 2.053 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1OC ZINC000272532443 402949773 /nfs/dbraw/zinc/94/97/73/402949773.db2.gz INRYBKPZJAHGFT-CHWSQXEVSA-N 0 3 304.390 2.082 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)CO)C(C)C ZINC000265888062 402959384 /nfs/dbraw/zinc/95/93/84/402959384.db2.gz UEAHUIRDEHCPGC-OWCLPIDISA-N 0 3 311.470 2.001 20 30 DEEDHN CCOC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000279846304 402964099 /nfs/dbraw/zinc/96/40/99/402964099.db2.gz AOMMHOLBTVNVBT-IAGOWNOFSA-N 0 3 313.401 2.418 20 30 DEEDHN CN(C)C1(CNC(=O)c2ccc(C#N)cc2)Cc2ccccc2C1 ZINC000265949504 402964497 /nfs/dbraw/zinc/96/44/97/402964497.db2.gz ZAFCWRNRBGZLQS-UHFFFAOYSA-N 0 3 319.408 2.387 20 30 DEEDHN Cn1cccc1CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272251021 402914979 /nfs/dbraw/zinc/91/49/79/402914979.db2.gz VGSHRSNQUAJKRC-KRWDZBQOSA-N 0 3 308.385 2.182 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000279209085 402916128 /nfs/dbraw/zinc/91/61/28/402916128.db2.gz BOGNKMHOFOMISC-KZNAEPCWSA-N 0 3 323.396 2.411 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@H]2CCCCO2)cc1 ZINC000280113949 402967546 /nfs/dbraw/zinc/96/75/46/402967546.db2.gz UCGJWPRSACUCRX-DLBZAZTESA-N 0 3 311.385 2.316 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(c2ncc[nH]2)CC1 ZINC000265483073 402923343 /nfs/dbraw/zinc/92/33/43/402923343.db2.gz LITYUNFIYRVABQ-UHFFFAOYSA-N 0 3 323.400 2.490 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000265518339 402925841 /nfs/dbraw/zinc/92/58/41/402925841.db2.gz SJZVVFOCIQQVAP-AWEZNQCLSA-N 0 3 316.405 2.372 20 30 DEEDHN Cn1cc(CCN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000265586037 402931120 /nfs/dbraw/zinc/93/11/20/402931120.db2.gz JVDQPANZCPILQP-UHFFFAOYSA-N 0 3 323.444 2.042 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000272405480 402933288 /nfs/dbraw/zinc/93/32/88/402933288.db2.gz KGRKZCKVIXDECJ-NHYWBVRUSA-N 0 3 302.353 2.255 20 30 DEEDHN CCN(CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)C1CC1 ZINC000279349378 402933697 /nfs/dbraw/zinc/93/36/97/402933697.db2.gz ZULXQJOJCGZVAD-UHFFFAOYSA-N 0 3 324.384 2.427 20 30 DEEDHN CCN1CCN(CCCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000267255042 403029548 /nfs/dbraw/zinc/02/95/48/403029548.db2.gz VDMSHXAMIYZYET-UHFFFAOYSA-N 0 3 307.829 2.046 20 30 DEEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCC[C@H](C#N)C1 ZINC000274176142 403032617 /nfs/dbraw/zinc/03/26/17/403032617.db2.gz DARNSQDVCRMVBO-YEWWUXTCSA-N 0 3 324.428 2.497 20 30 DEEDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CCSC1 ZINC000274243386 403038362 /nfs/dbraw/zinc/03/83/62/403038362.db2.gz UWBUOTVKFKFJDU-CQSZACIVSA-N 0 3 306.391 2.316 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCOCCc2ccccc2)C1=O ZINC000281321624 403064586 /nfs/dbraw/zinc/06/45/86/403064586.db2.gz LHZOTUTTWCRVIJ-SFHVURJKSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)C[C@](C)(O)CC)C1=O ZINC000281399146 403067546 /nfs/dbraw/zinc/06/75/46/403067546.db2.gz QHKSWFMNLQUVQA-IEBWSBKVSA-N 0 3 316.445 2.437 20 30 DEEDHN CCC(CC)[C@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281492450 403069817 /nfs/dbraw/zinc/06/98/17/403069817.db2.gz HTLBYTAVTZODKQ-IAGOWNOFSA-N 0 3 313.401 2.154 20 30 DEEDHN CC(C)(C)C[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281684117 403081447 /nfs/dbraw/zinc/08/14/47/403081447.db2.gz UTDCONUFZXPGIE-JKSUJKDBSA-N 0 3 313.401 2.154 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@H](CO)C(C)C)C1=O ZINC000281994650 403111720 /nfs/dbraw/zinc/11/17/20/403111720.db2.gz NCRFOPVDDIRSRS-ZWKOTPCHSA-N 0 3 316.445 2.292 20 30 DEEDHN C=CCc1cc(CNCC2([S@@](C)=O)CC2)cc(OC)c1O ZINC000282520873 403156080 /nfs/dbraw/zinc/15/60/80/403156080.db2.gz YDUUWVPMHUOECO-OAQYLSRUSA-N 0 3 309.431 2.130 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](CC)C(=O)OC)C(C)C ZINC000277280350 403200954 /nfs/dbraw/zinc/20/09/54/403200954.db2.gz PPRCKNHGABROES-GJZGRUSLSA-N 0 3 310.438 2.000 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000283811554 403225512 /nfs/dbraw/zinc/22/55/12/403225512.db2.gz CFNFOOGKASDJDR-CZUORRHYSA-N 0 3 301.365 2.254 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000283811550 403225520 /nfs/dbraw/zinc/22/55/20/403225520.db2.gz CFNFOOGKASDJDR-BBRMVZONSA-N 0 3 301.365 2.254 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270839891 403230176 /nfs/dbraw/zinc/23/01/76/403230176.db2.gz KJHACCINSRWVRX-ROUUACIJSA-N 0 3 316.445 2.342 20 30 DEEDHN COCC1(O)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000270367727 403184598 /nfs/dbraw/zinc/18/45/98/403184598.db2.gz MAOFWROYSJLNBI-UHFFFAOYSA-N 0 3 302.418 2.461 20 30 DEEDHN C#CC[C@@H](NC(=O)NCCCN(C)CCOC)c1ccccc1 ZINC000270434054 403191253 /nfs/dbraw/zinc/19/12/53/403191253.db2.gz PSWDGSNAJSSRTO-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN CCN1CCN(C[C@@H](C)CNc2snc(C)c2C#N)CC1 ZINC000283409176 403195483 /nfs/dbraw/zinc/19/54/83/403195483.db2.gz AQZXVZMXLPFUAE-LBPRGKRZSA-N 0 3 307.467 2.009 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000270497672 403196006 /nfs/dbraw/zinc/19/60/06/403196006.db2.gz WALAAPQQHFLICN-KGLIPLIRSA-N 0 3 304.419 2.068 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000285420924 403292630 /nfs/dbraw/zinc/29/26/30/403292630.db2.gz VQPCJOFQIMMTOW-QGZVFWFLSA-N 0 3 303.406 2.183 20 30 DEEDHN N#Cc1ccc(OCC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000277807140 403259123 /nfs/dbraw/zinc/25/91/23/403259123.db2.gz GVGCZQLKSJDJLI-INIZCTEOSA-N 0 3 313.401 2.070 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284354008 403265636 /nfs/dbraw/zinc/26/56/36/403265636.db2.gz NMSREQXRTSIICD-QGZVFWFLSA-N 0 3 320.433 2.397 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C(N)=O)cn1)C(C)C ZINC000298425260 403379694 /nfs/dbraw/zinc/37/96/94/403379694.db2.gz LUCZONCRVIEPCB-HNNXBMFYSA-N 0 3 302.422 2.291 20 30 DEEDHN CCOc1ccnc(N2CCCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000292938778 403383435 /nfs/dbraw/zinc/38/34/35/403383435.db2.gz ZSFBNHFSUXITAU-LSDHHAIUSA-N 0 3 315.421 2.080 20 30 DEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)S(C)(=O)=O ZINC000298479779 403392604 /nfs/dbraw/zinc/39/26/04/403392604.db2.gz FVLLKXSMAMOOPO-VIFPVBQESA-N 0 3 321.851 2.349 20 30 DEEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CSCC#N ZINC000298539137 403408729 /nfs/dbraw/zinc/40/87/29/403408729.db2.gz ZJYNPROXKPJPFD-ZBFHGGJFSA-N 0 3 315.442 2.386 20 30 DEEDHN CC(C#N)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000331548981 403413901 /nfs/dbraw/zinc/41/39/01/403413901.db2.gz MDPFNCFQVGEPFX-ZYHUDNBSSA-N 0 3 301.371 2.356 20 30 DEEDHN N#Cc1ccc(NC(=O)NCCNc2ccncc2)c(Cl)c1 ZINC000345636899 403414241 /nfs/dbraw/zinc/41/42/41/403414241.db2.gz UKJVBQFWKHATKI-UHFFFAOYSA-N 0 3 315.764 2.262 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(OCC=C)cc2)CC1 ZINC000285989381 403425592 /nfs/dbraw/zinc/42/55/92/403425592.db2.gz PYDJZZAHOKMRBC-UHFFFAOYSA-N 0 3 312.413 2.213 20 30 DEEDHN C=CCC[C@H](NCCCN1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000286144256 403459194 /nfs/dbraw/zinc/45/91/94/403459194.db2.gz PDBRIYCEKZYKPF-LSDHHAIUSA-N 0 3 305.422 2.216 20 30 DEEDHN C#CCNC(=O)CCN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000293629935 403523554 /nfs/dbraw/zinc/52/35/54/403523554.db2.gz WTQLELJWXJKHLI-UHFFFAOYSA-N 0 3 314.429 2.286 20 30 DEEDHN CC(C)(C)N1C[C@H](C(=O)NCCCC#N)[C@@H](C(F)(F)F)C1 ZINC000346346698 403585023 /nfs/dbraw/zinc/58/50/23/403585023.db2.gz ASFYRMRHLOOVGM-QWRGUYRKSA-N 0 3 305.344 2.315 20 30 DEEDHN C=CCc1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc(OC)c1O ZINC000346336809 403585336 /nfs/dbraw/zinc/58/53/36/403585336.db2.gz PPMKNRVJOICFPX-HRCADAONSA-N 0 3 303.402 2.332 20 30 DEEDHN COC(=O)[C@@H]1CN(C(=O)C(C)C#N)C[C@H]1c1ccc(Cl)cc1 ZINC000346598939 403594813 /nfs/dbraw/zinc/59/48/13/403594813.db2.gz BYYDLEDWEBQVMB-LEWSCRJBSA-N 0 3 320.776 2.215 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2c(F)cncc2F)CC1 ZINC000287456846 403602873 /nfs/dbraw/zinc/60/28/73/403602873.db2.gz OQBUAVJJSGLNPF-LLVKDONJSA-N 0 3 324.375 2.370 20 30 DEEDHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(C#N)CCc1ccccc1 ZINC000346826108 403604199 /nfs/dbraw/zinc/60/41/99/403604199.db2.gz DVNAANIVCWIIPC-IKGGRYGDSA-N 0 3 300.402 2.378 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346170499 403577011 /nfs/dbraw/zinc/57/70/11/403577011.db2.gz AICKGCUKVFYMHK-BFYDXBDKSA-N 0 3 301.434 2.476 20 30 DEEDHN COc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1C#N ZINC000287363683 403583808 /nfs/dbraw/zinc/58/38/08/403583808.db2.gz LYYRVMVLDNIBQH-HNNXBMFYSA-N 0 3 313.401 2.011 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCOc1ccccc1Cl ZINC000293975300 403613845 /nfs/dbraw/zinc/61/38/45/403613845.db2.gz MJELHQZBPWDXGY-UHFFFAOYSA-N 0 3 308.809 2.180 20 30 DEEDHN COC(=O)[C@H](CNC(=O)C(C)C#N)Cc1cccc2ccccc21 ZINC000347101927 403615116 /nfs/dbraw/zinc/61/51/16/403615116.db2.gz HAKDWQQOPWNITD-BBRMVZONSA-N 0 3 324.380 2.447 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000293962797 403611070 /nfs/dbraw/zinc/61/10/70/403611070.db2.gz LDNUYPAKAFAKLM-STQMWFEESA-N 0 3 324.346 2.279 20 30 DEEDHN C=CCOc1ccc(CN2CCCN([C@@H](C)CO)CC2)cc1 ZINC000347249102 403636581 /nfs/dbraw/zinc/63/65/81/403636581.db2.gz CNEDAXCKIMAAHD-INIZCTEOSA-N 0 3 304.434 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@](C)(O)[C@H](C)CC)CC1 ZINC000304020596 403762908 /nfs/dbraw/zinc/76/29/08/403762908.db2.gz DEGAJFRPYRYSTE-RHSMWYFYSA-N 0 3 311.470 2.123 20 30 DEEDHN N#CCCOCCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000294625071 403723515 /nfs/dbraw/zinc/72/35/15/403723515.db2.gz OYZUUBONEKWUFN-QGZVFWFLSA-N 0 3 302.374 2.429 20 30 DEEDHN C#CCN(C)CCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000294992685 403740165 /nfs/dbraw/zinc/74/01/65/403740165.db2.gz LMDAXLWRYXFKTK-KRWDZBQOSA-N 0 3 302.418 2.454 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000343813714 403744112 /nfs/dbraw/zinc/74/41/12/403744112.db2.gz QNWXGUBAQSWTDY-OAHLLOKOSA-N 0 3 311.470 2.483 20 30 DEEDHN C[C@@H](NC[C@H](O)COCc1ccco1)c1ccc(C#N)cc1 ZINC000303053660 403746821 /nfs/dbraw/zinc/74/68/21/403746821.db2.gz WSAALECSYGHDGT-CJNGLKHVSA-N 0 3 300.358 2.380 20 30 DEEDHN C=CCOc1cccc(CN[C@@]2(CC(=O)OC)CCOC2)c1 ZINC000361740163 403835658 /nfs/dbraw/zinc/83/56/58/403835658.db2.gz FSXISPMBPBJHGY-QGZVFWFLSA-N 0 3 305.374 2.063 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCCc1cccc(C#N)c1 ZINC000347618019 403778115 /nfs/dbraw/zinc/77/81/15/403778115.db2.gz VTQWZRPNOPESDR-HNNXBMFYSA-N 0 3 314.433 2.274 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)CC1 ZINC000288932816 403795563 /nfs/dbraw/zinc/79/55/63/403795563.db2.gz UDNHHHXVHZTNIM-DYVFJYSZSA-N 0 3 315.417 2.458 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)CC1 ZINC000288932818 403795844 /nfs/dbraw/zinc/79/58/44/403795844.db2.gz UDNHHHXVHZTNIM-GUYCJALGSA-N 0 3 315.417 2.458 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN(CCO)Cc2ccccc2)c1 ZINC000304822002 403803706 /nfs/dbraw/zinc/80/37/06/403803706.db2.gz WACNRUNHSYRLPB-UHFFFAOYSA-N 0 3 323.396 2.381 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CC2)cc1 ZINC000351691165 403854056 /nfs/dbraw/zinc/85/40/56/403854056.db2.gz HLBFJLLBGSDLQU-NSHDSACASA-N 0 3 321.402 2.294 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000354532862 403860086 /nfs/dbraw/zinc/86/00/86/403860086.db2.gz BNDHXNRMSJWVEU-KBPBESRZSA-N 0 3 303.406 2.354 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NCc1ccccc1C ZINC000411638686 403921242 /nfs/dbraw/zinc/92/12/42/403921242.db2.gz HUCADGARKWRPLG-KRWDZBQOSA-N 0 3 317.477 2.439 20 30 DEEDHN C=CCC[C@H](O)CN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000362137190 403929358 /nfs/dbraw/zinc/92/93/58/403929358.db2.gz OITSCBMEPWLKFI-DOTOQJQBSA-N 0 3 303.402 2.476 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000305829705 403947127 /nfs/dbraw/zinc/94/71/27/403947127.db2.gz NQLVEZOULYIZDM-WBVHZDCISA-N 0 3 323.481 2.219 20 30 DEEDHN C[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000305881976 403948791 /nfs/dbraw/zinc/94/87/91/403948791.db2.gz VOERDNBVPPSBJF-SYGRHNPNSA-N 0 3 321.465 2.008 20 30 DEEDHN C=CCS(=O)(=O)CCNC[C@@H](C)c1cc(F)cc(F)c1 ZINC000295485951 403951912 /nfs/dbraw/zinc/95/19/12/403951912.db2.gz SKMSFMDHHKGRQR-LLVKDONJSA-N 0 3 303.374 2.259 20 30 DEEDHN C=CCOCCCN(C)CCn1cc(Br)cn1 ZINC000344227625 403990799 /nfs/dbraw/zinc/99/07/99/403990799.db2.gz OYAAMXSIDLNEEG-UHFFFAOYSA-N 0 3 302.216 2.170 20 30 DEEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000289836695 404002487 /nfs/dbraw/zinc/00/24/87/404002487.db2.gz MXIKHNJQYUJYDM-INIZCTEOSA-N 0 3 314.385 2.306 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000354775929 404004508 /nfs/dbraw/zinc/00/45/08/404004508.db2.gz TVKPSKTXODEHHJ-CQSZACIVSA-N 0 3 308.447 2.279 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CS(=O)(=O)C[C@@H]2C)c([O-])c1 ZINC000289940199 404009840 /nfs/dbraw/zinc/00/98/40/404009840.db2.gz OHWVYBUEAIMNAD-ALPQEUJLSA-N 0 3 324.446 2.090 20 30 DEEDHN C=CCOCCCN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000348037488 404016805 /nfs/dbraw/zinc/01/68/05/404016805.db2.gz BCNMZOQFSQKCLT-UHFFFAOYSA-N 0 3 306.406 2.375 20 30 DEEDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000411965455 404035304 /nfs/dbraw/zinc/03/53/04/404035304.db2.gz FKNFIYSDPIAEIO-SJCJKPOMSA-N 0 3 301.390 2.290 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)Cc1ccc(F)cc1 ZINC000411800862 403972762 /nfs/dbraw/zinc/97/27/62/403972762.db2.gz ZILKBWPDUUWTQS-CVEARBPZSA-N 0 3 306.381 2.107 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nccnc2C#N)C1 ZINC000323959285 404096490 /nfs/dbraw/zinc/09/64/90/404096490.db2.gz ZJQONLMNPJWRKF-OAHLLOKOSA-N 0 3 307.401 2.307 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)COc2ccccc2)CC1 ZINC000348788431 404097532 /nfs/dbraw/zinc/09/75/32/404097532.db2.gz XXESGKZFDFVPFT-OAHLLOKOSA-N 0 3 302.418 2.468 20 30 DEEDHN C=C(C)CN(CCCNS(=O)(=O)CC)Cc1ccccc1 ZINC000348247647 404054692 /nfs/dbraw/zinc/05/46/92/404054692.db2.gz WCTFVXHYAVMKKR-UHFFFAOYSA-N 0 3 310.463 2.394 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000363073948 404064635 /nfs/dbraw/zinc/06/46/35/404064635.db2.gz FWPIEAVIDVADQI-ZBFHGGJFSA-N 0 3 313.401 2.022 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348395510 404065967 /nfs/dbraw/zinc/06/59/67/404065967.db2.gz HTJBQHMMWOXXJP-BRWVUGGUSA-N 0 3 311.385 2.172 20 30 DEEDHN CCO[C@@H]1C[C@@](O)(CNC(=O)C2CCN(C3CC3)CC2)C1(C)C ZINC000328751822 404144361 /nfs/dbraw/zinc/14/43/61/404144361.db2.gz NEWLZUIDJNIXLC-CRAIPNDOSA-N 0 3 324.465 2.383 20 30 DEEDHN Cc1c(C(=O)NCCN2CCC3(CCCCC3)CC2)nnn1C ZINC000328707140 404135335 /nfs/dbraw/zinc/13/53/35/404135335.db2.gz LTHWHBMMRKPVIF-UHFFFAOYSA-N 0 3 319.453 2.474 20 30 DEEDHN Cc1nnc(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[n-]1 ZINC000328798411 404154357 /nfs/dbraw/zinc/15/43/57/404154357.db2.gz WSHWQIRLONJIKJ-CQSZACIVSA-N 0 3 305.426 2.409 20 30 DEEDHN Cc1nnc(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[n-]1 ZINC000328798411 404154365 /nfs/dbraw/zinc/15/43/65/404154365.db2.gz WSHWQIRLONJIKJ-CQSZACIVSA-N 0 3 305.426 2.409 20 30 DEEDHN C[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)S(C)(=O)=O ZINC000567343611 292306921 /nfs/dbraw/zinc/30/69/21/292306921.db2.gz XHWNKBKTPMZDHO-LRDDRELGSA-N 0 3 306.431 2.348 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)C#N ZINC000354997737 404147054 /nfs/dbraw/zinc/14/70/54/404147054.db2.gz RUCDANNSFZUSJK-CQSZACIVSA-N 0 3 302.422 2.356 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000329055920 404215616 /nfs/dbraw/zinc/21/56/16/404215616.db2.gz MDIWGYAMLREFFX-RRFJBIMHSA-N 0 3 320.437 2.327 20 30 DEEDHN CCN1CCC[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC000328927112 404175111 /nfs/dbraw/zinc/17/51/11/404175111.db2.gz WWFHJYLSPRJYSC-ZDUSSCGKSA-N 0 3 301.394 2.135 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000328926715 404175288 /nfs/dbraw/zinc/17/52/88/404175288.db2.gz FIIMXMGNJPNEKD-RBSFLKMASA-N 0 3 320.437 2.329 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000296291786 404180699 /nfs/dbraw/zinc/18/06/99/404180699.db2.gz CENJTFMNKXORNQ-KRWDZBQOSA-N 0 3 316.449 2.076 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC1(N(C)C)CCC1 ZINC000329027929 404207674 /nfs/dbraw/zinc/20/76/74/404207674.db2.gz KHXDXUIERAKGCV-ZIAGYGMSSA-N 0 3 320.437 2.421 20 30 DEEDHN CN1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](c2ccccc2)C1 ZINC000329038904 404210710 /nfs/dbraw/zinc/21/07/10/404210710.db2.gz SBSBWVXFZDKMKW-KFWWJZLASA-N 0 3 301.390 2.407 20 30 DEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000329192468 404259938 /nfs/dbraw/zinc/25/99/38/404259938.db2.gz SBWXSQQIRKBNAJ-CYBMUJFWSA-N 0 3 316.405 2.117 20 30 DEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000329192468 404259941 /nfs/dbraw/zinc/25/99/41/404259941.db2.gz SBWXSQQIRKBNAJ-CYBMUJFWSA-N 0 3 316.405 2.117 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H](O)C2CC2)C1 ZINC000329208996 404265587 /nfs/dbraw/zinc/26/55/87/404265587.db2.gz YGCMKXQKZPLPFL-XOKHGSTOSA-N 0 3 317.433 2.096 20 30 DEEDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000329213217 404267083 /nfs/dbraw/zinc/26/70/83/404267083.db2.gz JBSUXIHAKRHVMI-NSHDSACASA-N 0 3 305.357 2.276 20 30 DEEDHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000329213217 404267089 /nfs/dbraw/zinc/26/70/89/404267089.db2.gz JBSUXIHAKRHVMI-NSHDSACASA-N 0 3 305.357 2.276 20 30 DEEDHN Cc1noc([C@@H]2CCCN2C(=O)N[C@H](C)CN2CCCCC2)n1 ZINC000329244060 404276332 /nfs/dbraw/zinc/27/63/32/404276332.db2.gz UDMICPVAMUZWDN-OCCSQVGLSA-N 0 3 321.425 2.303 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)s1 ZINC000329443935 404338370 /nfs/dbraw/zinc/33/83/70/404338370.db2.gz AZYTXKWTRJJECG-JBLDHEPKSA-N 0 3 311.455 2.094 20 30 DEEDHN Cc1cc(C(C)(C)NCC(=O)NCC#N)ccc1Br ZINC000352409794 404350026 /nfs/dbraw/zinc/35/00/26/404350026.db2.gz LPLWVWOEIWEGJT-UHFFFAOYSA-N 0 3 324.222 2.222 20 30 DEEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2OCO3)CCN1C ZINC000329481737 404350829 /nfs/dbraw/zinc/35/08/29/404350829.db2.gz VWNLLRGPGXZOMP-NEPJUHHUSA-N 0 3 305.378 2.375 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNCc1nn(CC)nc1C)C(C)C ZINC000296557925 404306683 /nfs/dbraw/zinc/30/66/83/404306683.db2.gz UWVWHGZQTMFZLF-KRWDZBQOSA-N 0 3 305.470 2.395 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cnn(CC)c2)CC1 ZINC000296795390 404324573 /nfs/dbraw/zinc/32/45/73/404324573.db2.gz YEMLQSRPJOWQQB-AWEZNQCLSA-N 0 3 319.453 2.304 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cnn(CC)c2)CC1 ZINC000296795393 404324671 /nfs/dbraw/zinc/32/46/71/404324671.db2.gz YEMLQSRPJOWQQB-CQSZACIVSA-N 0 3 319.453 2.304 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342147090 404399904 /nfs/dbraw/zinc/39/99/04/404399904.db2.gz DGUPCNJDZBEVBX-YJBOKZPZSA-N 0 3 322.449 2.076 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(CCF)c1 ZINC000344851554 404405194 /nfs/dbraw/zinc/40/51/94/404405194.db2.gz UDYYRINQFVQFLY-LBPRGKRZSA-N 0 3 311.320 2.229 20 30 DEEDHN [O-]C(=[NH+]C[C@H]1CCc2nccn2C1)N(CC1CC1)CC1CC1 ZINC000329950620 404503943 /nfs/dbraw/zinc/50/39/43/404503943.db2.gz LYWWEHYRAJUXDC-OAHLLOKOSA-N 0 3 302.422 2.482 20 30 DEEDHN Cn1nnc2ccc(C(=O)NC[C@H]3CCCCN3C3CC3)cc21 ZINC000329960457 404509370 /nfs/dbraw/zinc/50/93/70/404509370.db2.gz RDFVWYXVNPVVDX-CQSZACIVSA-N 0 3 313.405 2.290 20 30 DEEDHN Cc1ccc2c(c1)CC[C@H](C(=O)NCC1(O)CCN(C)CC1)O2 ZINC000330016104 404527678 /nfs/dbraw/zinc/52/76/78/404527678.db2.gz PAYRMUQQYWNJGP-MRXNPFEDSA-N 0 3 318.417 2.102 20 30 DEEDHN COc1ccc(CNCCN2CCC2)cc1OCCCC#N ZINC000344896994 404432176 /nfs/dbraw/zinc/43/21/76/404432176.db2.gz XOUWJFKIMPDRIR-UHFFFAOYSA-N 0 3 303.406 2.173 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356304085 404436625 /nfs/dbraw/zinc/43/66/25/404436625.db2.gz UDUSSKHHVMRLSZ-SFHVURJKSA-N 0 3 315.417 2.204 20 30 DEEDHN CCC1CCC(CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000329747159 404438860 /nfs/dbraw/zinc/43/88/60/404438860.db2.gz ZGAWLEBGUYYQLD-GFJIZPEISA-N 0 3 316.467 2.140 20 30 DEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000329801714 404456153 /nfs/dbraw/zinc/45/61/53/404456153.db2.gz JUUSPVHZKDKBBG-ARFHVFGLSA-N 0 3 309.454 2.180 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N2CC[C@@H](N3CCCCC3)C2)s1 ZINC000329801120 404457180 /nfs/dbraw/zinc/45/71/80/404457180.db2.gz YPOOKWFMAIVOIE-WCQYABFASA-N 0 3 323.466 2.382 20 30 DEEDHN CC(C)n1cnnc1SCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000329814783 404460358 /nfs/dbraw/zinc/46/03/58/404460358.db2.gz USHBUJWTRHCHJL-DGCLKSJQSA-N 0 3 323.466 2.390 20 30 DEEDHN CN1CCC(NC(=O)Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000330214339 404588628 /nfs/dbraw/zinc/58/86/28/404588628.db2.gz LQAYUESIBCGOGM-UHFFFAOYSA-N 0 3 315.417 2.407 20 30 DEEDHN O=C(NCCc1nnc2n1CCCCC2)[C@H]1CCCN1C1CC1 ZINC000330219139 404589692 /nfs/dbraw/zinc/58/96/92/404589692.db2.gz PGDBLCNAWCDEOA-CQSZACIVSA-N 0 3 317.437 2.130 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)[C@@H]1CCC[C@H]1O ZINC000352665883 404529212 /nfs/dbraw/zinc/52/92/12/404529212.db2.gz GFQXNHJTOYUXOW-HNCZQISISA-N 0 3 321.465 2.151 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000330036727 404534638 /nfs/dbraw/zinc/53/46/38/404534638.db2.gz YMLDDLJTFBJGSD-HIFRSBDPSA-N 0 3 319.453 2.128 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000356458892 404536034 /nfs/dbraw/zinc/53/60/34/404536034.db2.gz SRMGPPUYZRHTKE-CZUORRHYSA-N 0 3 308.447 2.450 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(CC)C[C@@H]1C ZINC000352699366 404556740 /nfs/dbraw/zinc/55/67/40/404556740.db2.gz QKGGRYHQEFKHGQ-WMZOPIPTSA-N 0 3 318.461 2.181 20 30 DEEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000567475775 292316821 /nfs/dbraw/zinc/31/68/21/292316821.db2.gz XGQZFIQQLIZQGT-MRXNPFEDSA-N 0 3 302.378 2.238 20 30 DEEDHN C=CCN1CC[C@@H](NCC2(c3ccccc3)CCOCC2)C1=O ZINC000352835334 404655459 /nfs/dbraw/zinc/65/54/59/404655459.db2.gz XQJZPJFONHTMHD-QGZVFWFLSA-N 0 3 314.429 2.111 20 30 DEEDHN Cc1cnccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000351496502 404610306 /nfs/dbraw/zinc/61/03/06/404610306.db2.gz WWEMULRNMVWUIW-KRWDZBQOSA-N 0 3 304.353 2.260 20 30 DEEDHN O=C(NCc1ccn(C2CCCC2)n1)N[C@H]1CCN(C2CC2)C1 ZINC000330307479 404622311 /nfs/dbraw/zinc/62/23/11/404622311.db2.gz SECBAOKYRQDPIY-AWEZNQCLSA-N 0 3 317.437 2.239 20 30 DEEDHN C[C@H]1CSC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000352797179 404630226 /nfs/dbraw/zinc/63/02/26/404630226.db2.gz IBMRDAOLAWFYEO-ZANVPECISA-N 0 3 309.822 2.491 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(S(C)(=O)=O)s1 ZINC000414444508 404634015 /nfs/dbraw/zinc/63/40/15/404634015.db2.gz KVQXDJXVRCCRMC-BXUZGUMPSA-N 0 3 315.460 2.222 20 30 DEEDHN N#Cc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000365661446 404706374 /nfs/dbraw/zinc/70/63/74/404706374.db2.gz KCLSRXCQMNBRBD-IAGOWNOFSA-N 0 3 300.402 2.358 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](n2cccn2)C1 ZINC000365831152 404728533 /nfs/dbraw/zinc/72/85/33/404728533.db2.gz MHAMNMXEKHJWNH-CYBMUJFWSA-N 0 3 315.402 2.092 20 30 DEEDHN COc1cccc(CN(CCN(C)C)C(=O)NCCCC#N)c1 ZINC000359265836 404789154 /nfs/dbraw/zinc/78/91/54/404789154.db2.gz DBXCKWVVNPCSCW-UHFFFAOYSA-N 0 3 318.421 2.072 20 30 DEEDHN C=CCCS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000360170012 404820695 /nfs/dbraw/zinc/82/06/95/404820695.db2.gz WCUUCXWJXHMOQE-KFWWJZLASA-N 0 3 300.468 2.230 20 30 DEEDHN COC[C@@]1(C)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000451185027 404892381 /nfs/dbraw/zinc/89/23/81/404892381.db2.gz BZYMBANKXRAPMZ-HNNXBMFYSA-N 0 3 307.419 2.307 20 30 DEEDHN CC[C@H]1CCCCN1CCNS(=O)(=O)CC(C)(C)CC#N ZINC000451188599 404894329 /nfs/dbraw/zinc/89/43/29/404894329.db2.gz HSDPQWBGMNLAEG-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN CCN1CCC[C@H]1CN(C)C(=O)Cc1c(F)cccc1C#N ZINC000353652232 404902750 /nfs/dbraw/zinc/90/27/50/404902750.db2.gz ISODHZBRUVTFEI-AWEZNQCLSA-N 0 3 303.381 2.183 20 30 DEEDHN C=CCC[C@@H](NCCNC(=O)c1cnccn1)c1ccco1 ZINC000353493358 404846869 /nfs/dbraw/zinc/84/68/69/404846869.db2.gz SVYXIAQZGWFVKM-CYBMUJFWSA-N 0 3 300.362 2.097 20 30 DEEDHN C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424095950 405004268 /nfs/dbraw/zinc/00/42/68/405004268.db2.gz XXZYWUQXRXDHSD-KGLIPLIRSA-N 0 3 300.406 2.127 20 30 DEEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](N)CCCC#N ZINC000424108173 405008880 /nfs/dbraw/zinc/00/88/80/405008880.db2.gz VVADEZGEZMLRLC-OAHLLOKOSA-N 0 3 318.377 2.353 20 30 DEEDHN CCc1cccc2c1OCC[C@H]2NC(=O)[C@@H](N)CCCC#N ZINC000424114411 405011172 /nfs/dbraw/zinc/01/11/72/405011172.db2.gz RAHPLEWSIITADZ-LSDHHAIUSA-N 0 3 301.390 2.210 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCC[C@H]1C(=O)OCC ZINC000451590084 405013979 /nfs/dbraw/zinc/01/39/79/405013979.db2.gz KCOOBXOBMLKZFU-CABCVRRESA-N 0 3 310.438 2.123 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700531 405017972 /nfs/dbraw/zinc/01/79/72/405017972.db2.gz GLJDRUSJJMYZPU-YVSFHVDLSA-N 0 3 306.450 2.058 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000424136574 405018378 /nfs/dbraw/zinc/01/83/78/405018378.db2.gz NVJRLXPTLAEULH-OAHLLOKOSA-N 0 3 320.824 2.010 20 30 DEEDHN C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000379646300 405028448 /nfs/dbraw/zinc/02/84/48/405028448.db2.gz FDOVMRWPUJGKHD-ZBFHGGJFSA-N 0 3 307.401 2.235 20 30 DEEDHN COC[C@H](C)Nc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424177122 405030733 /nfs/dbraw/zinc/03/07/33/405030733.db2.gz UCKYRCZEXFFXLW-QWHCGFSZSA-N 0 3 304.394 2.093 20 30 DEEDHN COc1ccccc1C1(CNC(=O)[C@@H](N)CCCC#N)CCC1 ZINC000424176186 405031284 /nfs/dbraw/zinc/03/12/84/405031284.db2.gz ROTZCFNMSDEZOS-HNNXBMFYSA-N 0 3 315.417 2.254 20 30 DEEDHN COc1ccc(Cl)cc1CN(C)C(=O)[C@@H](N)CCCC#N ZINC000424058870 404988795 /nfs/dbraw/zinc/98/87/95/404988795.db2.gz AQEPDDGAOQRDQA-ZDUSSCGKSA-N 0 3 309.797 2.328 20 30 DEEDHN Cc1nc(-c2ccc(CNC(=O)[C@@H](N)CCCC#N)o2)cs1 ZINC000424063034 404990126 /nfs/dbraw/zinc/99/01/26/404990126.db2.gz LYYOJBHGXWLWNH-LBPRGKRZSA-N 0 3 318.402 2.349 20 30 DEEDHN C[C@@H](CO)N(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCC1 ZINC000361492263 405097909 /nfs/dbraw/zinc/09/79/09/405097909.db2.gz GGTGEZJOAPRKSA-HNNXBMFYSA-N 0 3 321.465 2.154 20 30 DEEDHN CC[C@H](C)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000451826660 405055956 /nfs/dbraw/zinc/05/59/56/405055956.db2.gz SPQZGLHUVHRKFD-INIZCTEOSA-N 0 3 320.481 2.087 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000404161023 405068626 /nfs/dbraw/zinc/06/86/26/405068626.db2.gz ZFCNGAZJCYZPAC-UONOGXRCSA-N 0 3 310.394 2.143 20 30 DEEDHN Cc1cc(C#N)nc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000367517898 405071431 /nfs/dbraw/zinc/07/14/31/405071431.db2.gz DZYSJRGTKXMNBY-FUHWJXTLSA-N 0 3 319.412 2.367 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000367563594 405085349 /nfs/dbraw/zinc/08/53/49/405085349.db2.gz DLAZSCHPTHDKJF-IXDOHACOSA-N 0 3 313.401 2.211 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000452034883 405134689 /nfs/dbraw/zinc/13/46/89/405134689.db2.gz MELRKALCHAXPDA-IAGOWNOFSA-N 0 3 315.417 2.112 20 30 DEEDHN CC(C#N)S(=O)(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000416415643 405136329 /nfs/dbraw/zinc/13/63/29/405136329.db2.gz UJZXDNSQSBALSH-YUELXQCFSA-N 0 3 303.387 2.000 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000361645834 405180079 /nfs/dbraw/zinc/18/00/79/405180079.db2.gz FQQOFTNYKFRSSQ-UHFFFAOYSA-N 0 3 323.387 2.451 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000361646899 405180682 /nfs/dbraw/zinc/18/06/82/405180682.db2.gz IZJLONRKXUCPKQ-UHFFFAOYSA-N 0 3 323.387 2.451 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000424753144 405168038 /nfs/dbraw/zinc/16/80/38/405168038.db2.gz AWJQFWLZFOILSK-QGZVFWFLSA-N 0 3 316.445 2.472 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H]1N1CCCC1 ZINC000361637918 405176114 /nfs/dbraw/zinc/17/61/14/405176114.db2.gz LBWYULWYGDIBNX-TZMCWYRMSA-N 0 3 321.471 2.272 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000439621663 405286454 /nfs/dbraw/zinc/28/64/54/405286454.db2.gz DAYCUEXFVLQPRO-KCPJHIHWSA-N 0 3 301.390 2.288 20 30 DEEDHN Cc1onc(CC(=O)Nc2ccccc2CCN(C)C)c1C#N ZINC000438568312 405251109 /nfs/dbraw/zinc/25/11/09/405251109.db2.gz ACUZNWZGOGXGOL-UHFFFAOYSA-N 0 3 312.373 2.140 20 30 DEEDHN CN(C)[C@]1(CNc2c(C#N)cccc2[N+](=O)[O-])CCSC1 ZINC000425222495 405259972 /nfs/dbraw/zinc/25/99/72/405259972.db2.gz ANYBTOJVXWILJS-AWEZNQCLSA-N 0 3 306.391 2.316 20 30 DEEDHN CN(C)[C@@]1(CNc2c(C#N)cccc2[N+](=O)[O-])CCSC1 ZINC000425222499 405260122 /nfs/dbraw/zinc/26/01/22/405260122.db2.gz ANYBTOJVXWILJS-CQSZACIVSA-N 0 3 306.391 2.316 20 30 DEEDHN C=CC[C@H]1N(CCN2CCCS2(=O)=O)CCCC1(C)C ZINC000444792227 405342872 /nfs/dbraw/zinc/34/28/72/405342872.db2.gz OPZCXGUDAXVAPG-CQSZACIVSA-N 0 3 300.468 2.089 20 30 DEEDHN C=CC(C)(C)CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000454473972 405351173 /nfs/dbraw/zinc/35/11/73/405351173.db2.gz CYIGPLSWDJWQEQ-UHFFFAOYSA-N 0 3 311.470 2.387 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000445769463 405356503 /nfs/dbraw/zinc/35/65/03/405356503.db2.gz ZPAGFZQQJAPLAV-QWHCGFSZSA-N 0 3 323.343 2.293 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H](O)C[C@@H]1C ZINC000429170643 405426176 /nfs/dbraw/zinc/42/61/76/405426176.db2.gz YBAODDPKEOLVIT-XIRDDKMYSA-N 0 3 305.418 2.000 20 30 DEEDHN C=CCN(CCOC)Cc1cccc(CN2CCOCC2)c1 ZINC000420919897 405405155 /nfs/dbraw/zinc/40/51/55/405405155.db2.gz IUHWSWMSVYUABT-UHFFFAOYSA-N 0 3 304.434 2.153 20 30 DEEDHN C=C(CC)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000455521648 405421378 /nfs/dbraw/zinc/42/13/78/405421378.db2.gz LBWUJUNPDASXAO-HOTGVXAUSA-N 0 3 323.481 2.483 20 30 DEEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000445901487 405362155 /nfs/dbraw/zinc/36/21/55/405362155.db2.gz XHYMATVCZNOYRL-DGCLKSJQSA-N 0 3 305.344 2.361 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](O)CC[C@@H]1C ZINC000421019168 405432040 /nfs/dbraw/zinc/43/20/40/405432040.db2.gz NHUWLFFOKJPHJT-BHYGNILZSA-N 0 3 305.418 2.000 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(F)c(F)c1 ZINC000429706794 405444225 /nfs/dbraw/zinc/44/42/25/405444225.db2.gz FACNIVHPEGYGEE-UHFFFAOYSA-N 0 3 311.376 2.343 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000429713732 405444895 /nfs/dbraw/zinc/44/48/95/405444895.db2.gz DYIJCYLAYHRWEU-HNNXBMFYSA-N 0 3 314.433 2.325 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000448892023 405460664 /nfs/dbraw/zinc/46/06/64/405460664.db2.gz YISCNEFQYPCMPB-AWEZNQCLSA-N 0 3 302.418 2.393 20 30 DEEDHN COCCN1CCC(NC(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000455979597 405465948 /nfs/dbraw/zinc/46/59/48/405465948.db2.gz DLLGPHRIBRWRCQ-UHFFFAOYSA-N 0 3 316.405 2.099 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000556295787 405472339 /nfs/dbraw/zinc/47/23/39/405472339.db2.gz HUKNEFSPRYZZBZ-HUUCEWRRSA-N 0 3 319.449 2.266 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000577599480 405476473 /nfs/dbraw/zinc/47/64/73/405476473.db2.gz ZHPBREOVHMRGRR-KRWDZBQOSA-N 0 3 317.433 2.264 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000577723191 405498886 /nfs/dbraw/zinc/49/88/86/405498886.db2.gz JNQPKZJJWPGENK-INIZCTEOSA-N 0 3 307.482 2.216 20 30 DEEDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000431012291 405559984 /nfs/dbraw/zinc/55/99/84/405559984.db2.gz ADVWZZJJPDOGBH-UHFFFAOYSA-N 0 3 315.826 2.007 20 30 DEEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)n1C ZINC000580515154 405629102 /nfs/dbraw/zinc/62/91/02/405629102.db2.gz LZJLTHPMFMRBRJ-UHFFFAOYSA-N 0 3 312.373 2.219 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000458782639 405589715 /nfs/dbraw/zinc/58/97/15/405589715.db2.gz UWDQTYPGGPKZMM-USXIJHARSA-N 0 3 319.449 2.304 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)CSCc1ccc(C#N)cc1 ZINC000421708018 405601800 /nfs/dbraw/zinc/60/18/00/405601800.db2.gz YWXTZNQHFRWKOG-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(CC#N)cc2)cnn1C ZINC000431942106 405700884 /nfs/dbraw/zinc/70/08/84/405700884.db2.gz QRTPFHNJFHMQMG-ZWKOTPCHSA-N 0 3 310.401 2.414 20 30 DEEDHN CC[C@@H]1CN(CCN[C@@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000494469830 405705384 /nfs/dbraw/zinc/70/53/84/405705384.db2.gz UZEWSXGTTKAMBH-XJKSGUPXSA-N 0 3 305.397 2.459 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2cccc(C#N)c2F)CC1 ZINC000528726277 405726341 /nfs/dbraw/zinc/72/63/41/405726341.db2.gz DSNWQRQSSCLXCZ-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000528916656 405744172 /nfs/dbraw/zinc/74/41/72/405744172.db2.gz DZYHLIAHRQFFPP-CWFCOSEVSA-N 0 3 300.358 2.393 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000528916667 405744528 /nfs/dbraw/zinc/74/45/28/405744528.db2.gz DZYHLIAHRQFFPP-ZZVJUGKHSA-N 0 3 300.358 2.393 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495635362 405927405 /nfs/dbraw/zinc/92/74/05/405927405.db2.gz RINVIMUKMIZPHI-JSGCOSHPSA-N 0 3 307.394 2.196 20 30 DEEDHN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000495836526 405935979 /nfs/dbraw/zinc/93/59/79/405935979.db2.gz KKDNLPWZZYKMPF-INIZCTEOSA-N 0 3 301.390 2.463 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000495877516 405938935 /nfs/dbraw/zinc/93/89/35/405938935.db2.gz QUVTYTMRCMSEGX-IUCAKERBSA-N 0 3 323.315 2.108 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nnc2n1CCCC2 ZINC000433305303 405917948 /nfs/dbraw/zinc/91/79/48/405917948.db2.gz NARQZKWKQQYVNY-OAHLLOKOSA-N 0 3 323.400 2.003 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NC(C)(C)C ZINC000433307170 405918001 /nfs/dbraw/zinc/91/80/01/405918001.db2.gz USUQQFUXXDTZBS-DZGCQCFKSA-N 0 3 315.417 2.178 20 30 DEEDHN CN(C)CCOc1ccc(CN(CCC#N)CCC#N)cc1 ZINC000614243590 405923472 /nfs/dbraw/zinc/92/34/72/405923472.db2.gz PSKKDOBVBDJZRV-UHFFFAOYSA-N 0 3 300.406 2.256 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(CC)C1COC1)C(C)C ZINC000457746639 405981599 /nfs/dbraw/zinc/98/15/99/405981599.db2.gz LXMGQFLJZIASCK-INIZCTEOSA-N 0 3 309.454 2.115 20 30 DEEDHN C[C@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459606725 405981793 /nfs/dbraw/zinc/98/17/93/405981793.db2.gz FLMRPFAIDUAHLR-XJKSGUPXSA-N 0 3 321.446 2.285 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000451083909 406046255 /nfs/dbraw/zinc/04/62/55/406046255.db2.gz QCMJOXISDUNIOT-HOTGVXAUSA-N 0 3 307.482 2.216 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1csc2ccccc12 ZINC000563347326 406059444 /nfs/dbraw/zinc/05/94/44/406059444.db2.gz NNTPDHVRASLIBI-CQSZACIVSA-N 0 3 303.431 2.197 20 30 DEEDHN N#CC1(NC(=O)CN2CCC[C@H]2[C@H]2CCCOC2)CCCCC1 ZINC000564915940 406068957 /nfs/dbraw/zinc/06/89/57/406068957.db2.gz GHVBWYIERGWJSU-HOTGVXAUSA-N 0 3 319.449 2.220 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634458677 406139431 /nfs/dbraw/zinc/13/94/31/406139431.db2.gz ZYPOWLFHHAXEKJ-FUHWJXTLSA-N 0 3 302.418 2.013 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000537187547 406285184 /nfs/dbraw/zinc/28/51/84/406285184.db2.gz MMAPMACDWHJQKB-MRXNPFEDSA-N 0 3 310.486 2.058 20 30 DEEDHN C=CCSCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488571688 406331502 /nfs/dbraw/zinc/33/15/02/406331502.db2.gz HCQYAILHKZKGAI-QLFBSQMISA-N 0 3 311.495 2.277 20 30 DEEDHN C=CCCCCCN1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000639973273 406339526 /nfs/dbraw/zinc/33/95/26/406339526.db2.gz JSVXVDUXPBGJGH-MRXNPFEDSA-N 0 3 304.438 2.361 20 30 DEEDHN C[C@H]1[C@@H](CO)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000488762767 406346227 /nfs/dbraw/zinc/34/62/27/406346227.db2.gz PPTGPOQQKLSQGA-XJKSGUPXSA-N 0 3 310.401 2.161 20 30 DEEDHN C=CCc1cc(CN2CC[C@H](c3nnc[nH]3)C2)cc(OC)c1O ZINC000520571070 406302259 /nfs/dbraw/zinc/30/22/59/406302259.db2.gz XHDXIKNVBULUEB-AWEZNQCLSA-N 0 3 314.389 2.237 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000639905583 406309846 /nfs/dbraw/zinc/30/98/46/406309846.db2.gz BWMUXAFSGSCCJQ-DFBGVHRSSA-N 0 3 308.809 2.450 20 30 DEEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H](O)CN(C)CCC#N ZINC000570444500 406392532 /nfs/dbraw/zinc/39/25/32/406392532.db2.gz QJETYIQMWNGHOS-HBUWYVDXSA-N 0 3 319.424 2.245 20 30 DEEDHN Cn1cc(C(C)(C)NCCC(=O)Nc2sccc2C#N)cn1 ZINC000547414171 406407637 /nfs/dbraw/zinc/40/76/37/406407637.db2.gz KVBBPDGZISYJCF-UHFFFAOYSA-N 0 3 317.418 2.207 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000489117407 406378265 /nfs/dbraw/zinc/37/82/65/406378265.db2.gz PSPVJOQYQTYTPD-OAHLLOKOSA-N 0 3 302.484 2.383 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000490714883 406485846 /nfs/dbraw/zinc/48/58/46/406485846.db2.gz SJELODCCESMHNI-IBGZPJMESA-N 0 3 323.440 2.177 20 30 DEEDHN C#CCNC(=O)CCN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000491120174 406530240 /nfs/dbraw/zinc/53/02/40/406530240.db2.gz LNRNIGQJIFBYQC-UHFFFAOYSA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCNC(=O)CCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000491122296 406531269 /nfs/dbraw/zinc/53/12/69/406531269.db2.gz VGPZNAJVEALHEF-UHFFFAOYSA-N 0 3 312.413 2.029 20 30 DEEDHN C#CCNC(=O)C1CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000491202479 406543501 /nfs/dbraw/zinc/54/35/01/406543501.db2.gz OMHRGZZJRKMOFM-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000571624947 406544023 /nfs/dbraw/zinc/54/40/23/406544023.db2.gz MTIARTNQDJPOOP-MAUKXSAKSA-N 0 3 324.428 2.472 20 30 DEEDHN C#CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000491228864 406548654 /nfs/dbraw/zinc/54/86/54/406548654.db2.gz CPNGWQSNHYOMTN-DZGCQCFKSA-N 0 3 305.447 2.406 20 30 DEEDHN C#CCN(CCC(=O)NCC(=O)c1ccccc1)C1CCCC1 ZINC000490935430 406508573 /nfs/dbraw/zinc/50/85/73/406508573.db2.gz MKEFYDPZNDMRPD-UHFFFAOYSA-N 0 3 312.413 2.253 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000491316157 406567597 /nfs/dbraw/zinc/56/75/97/406567597.db2.gz SOBHSAHWKMYBBM-KRWDZBQOSA-N 0 3 313.445 2.117 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cccc(-c3ncc[nH]3)c2)CC1 ZINC000490948637 406510974 /nfs/dbraw/zinc/51/09/74/406510974.db2.gz GGIAGUKYLNELEE-UHFFFAOYSA-N 0 3 322.412 2.038 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(OCCC)c(OC)c1 ZINC000491068697 406523630 /nfs/dbraw/zinc/52/36/30/406523630.db2.gz PZBCKNJWQBMRDP-CQSZACIVSA-N 0 3 318.417 2.274 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000491624005 406637112 /nfs/dbraw/zinc/63/71/12/406637112.db2.gz JIFWNDWCKJFIRK-SFHVURJKSA-N 0 3 324.428 2.190 20 30 DEEDHN C#C[C@@H](NC(=O)NC1CCN(CC=C)CC1)c1ccc(F)cc1 ZINC000491347844 406573412 /nfs/dbraw/zinc/57/34/12/406573412.db2.gz AIOQNVBAITZEKI-QGZVFWFLSA-N 0 3 315.392 2.450 20 30 DEEDHN Cc1ccccc1OC[C@H](O)CNCc1ccc(C#N)s1 ZINC000572356442 406652117 /nfs/dbraw/zinc/65/21/17/406652117.db2.gz JMBAJPFHIRPAFC-CYBMUJFWSA-N 0 3 302.399 2.458 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000491664285 406657266 /nfs/dbraw/zinc/65/72/66/406657266.db2.gz SHXRPJSAHZYYPY-YPKPFQOOSA-N 0 3 315.373 2.069 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000491673504 406663208 /nfs/dbraw/zinc/66/32/08/406663208.db2.gz QERACKGQSDCVRA-QGZVFWFLSA-N 0 3 311.429 2.316 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000491674389 406663233 /nfs/dbraw/zinc/66/32/33/406663233.db2.gz XBOJCUQMWVCWEP-GJZGRUSLSA-N 0 3 306.356 2.140 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(/C=C/C)cc1OC ZINC000491682068 406667081 /nfs/dbraw/zinc/66/70/81/406667081.db2.gz PPPLISZSMHJHRV-YKNXIFKJSA-N 0 3 303.402 2.422 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)CC1 ZINC000491682689 406667692 /nfs/dbraw/zinc/66/76/92/406667692.db2.gz UGAZSFCWTAOOEU-WCQYABFASA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCn1c(C)cc(C(=O)Cn2cc([C@H](N)CC)nn2)c1C ZINC000640799982 406667695 /nfs/dbraw/zinc/66/76/95/406667695.db2.gz LUYXACVCLNJWDZ-CQSZACIVSA-N 0 3 301.394 2.175 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000491736531 406694800 /nfs/dbraw/zinc/69/48/00/406694800.db2.gz AYMHDSCCSLWWQV-SFHVURJKSA-N 0 3 314.429 2.010 20 30 DEEDHN C#C[C@H](NC(=O)C(=C)CN(C)C)c1ccc(Br)cc1 ZINC000491751331 406701677 /nfs/dbraw/zinc/70/16/77/406701677.db2.gz XVCSJAGMUNLYMY-AWEZNQCLSA-N 0 3 321.218 2.357 20 30 DEEDHN Cc1cc(CN[C@@]2(CO)COc3ccccc3C2)ccc1C#N ZINC000527770875 406746929 /nfs/dbraw/zinc/74/69/29/406746929.db2.gz WZSAFDNTLBBRTE-IBGZPJMESA-N 0 3 308.381 2.323 20 30 DEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/CN(C)C ZINC000491865576 406753815 /nfs/dbraw/zinc/75/38/15/406753815.db2.gz HSOCUFOJBUMXBE-RMKNXTFCSA-N 0 3 303.362 2.227 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000573081224 406769249 /nfs/dbraw/zinc/76/92/49/406769249.db2.gz QUHHMRDLHPHDLY-PQEBFOHHSA-N 0 3 317.433 2.321 20 30 DEEDHN C=CCOc1ccc(CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000553996459 406779711 /nfs/dbraw/zinc/77/97/11/406779711.db2.gz IZEMOMTVTDTXND-INIZCTEOSA-N 0 3 317.433 2.392 20 30 DEEDHN C=CCN(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000574790466 406785783 /nfs/dbraw/zinc/78/57/83/406785783.db2.gz APSJFYXJQKSZIU-QGZVFWFLSA-N 0 3 312.417 2.222 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645488682 407285079 /nfs/dbraw/zinc/28/50/79/407285079.db2.gz JICVFCHPMCZJHO-OAGGEKHMSA-N 0 3 309.454 2.093 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@@H](C)CN(C)C(=O)[C@@H](C)C#N ZINC001423046577 1173040707 /nfs/dbraw/zinc/04/07/07/1173040707.db2.gz KNFRRJPCZMHCNY-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN Cc1nc(CON=C(N)c2ccc(CN(C)C)cc2)oc1C ZINC000267041561 225344172 /nfs/dbraw/zinc/34/41/72/225344172.db2.gz ZBTPYQIXCWEFKA-UHFFFAOYSA-N 0 3 302.378 2.190 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCCC#N ZINC000273120062 225430927 /nfs/dbraw/zinc/43/09/27/225430927.db2.gz CGYVFEQVTUMKAN-UHFFFAOYSA-N 0 3 324.375 2.342 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 ZINC000340634765 226203794 /nfs/dbraw/zinc/20/37/94/226203794.db2.gz WNPNJHNXXRYPBW-INIZCTEOSA-N 0 3 323.462 2.355 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000291046977 222096244 /nfs/dbraw/zinc/09/62/44/222096244.db2.gz LUDFGWFBIOFFGZ-RDTXWAMCSA-N 0 3 317.433 2.050 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413913117 228396338 /nfs/dbraw/zinc/39/63/38/228396338.db2.gz JUWJDHJUNVWTCP-ZBEGNZNMSA-N 0 3 305.353 2.254 20 30 DEEDHN C[C@H]1CN(c2cc(Cl)ccc2C#N)CCN1CC(C)(C)O ZINC000302504823 230275824 /nfs/dbraw/zinc/27/58/24/230275824.db2.gz QAZRILHMCXYBOM-LBPRGKRZSA-N 0 3 307.825 2.493 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2cccc(OC)c2)C[C@H]1C ZINC001328265505 1148759151 /nfs/dbraw/zinc/75/91/51/1148759151.db2.gz BYHBSZBFUWMACD-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000292603393 533685428 /nfs/dbraw/zinc/68/54/28/533685428.db2.gz JWTYWHZDVQWDTL-CQSZACIVSA-N 0 3 314.433 2.086 20 30 DEEDHN CCN1C[C@H](C)N(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000330541788 266160384 /nfs/dbraw/zinc/16/03/84/266160384.db2.gz ABPSSRFBLGMVPG-NEPJUHHUSA-N 0 3 318.421 2.121 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCCCCF)C2)cn1 ZINC001479913033 1151174566 /nfs/dbraw/zinc/17/45/66/1151174566.db2.gz LVFLXVGMJJLJEX-QGZVFWFLSA-N 0 3 317.408 2.397 20 30 DEEDHN C=CCCC1(C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000582580795 424979747 /nfs/dbraw/zinc/97/97/47/424979747.db2.gz BSMRDYRMCOKFQL-UHFFFAOYSA-N 0 3 302.422 2.835 20 30 DEEDHN C=C(C)[C@H](CO)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000649407399 425012207 /nfs/dbraw/zinc/01/22/07/425012207.db2.gz KRTJZRNHPMVMIE-OLZOCXBDSA-N 0 3 316.323 2.491 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000596055188 425016934 /nfs/dbraw/zinc/01/69/34/425016934.db2.gz PADLSBVCLITHOX-HNNXBMFYSA-N 0 3 313.380 2.765 20 30 DEEDHN CC(C)(CNc1cc(C#N)cnn1)N1CCc2ccccc2C1 ZINC000596077843 425017561 /nfs/dbraw/zinc/01/75/61/425017561.db2.gz ZJHZABBPLQCKCZ-UHFFFAOYSA-N 0 3 307.401 2.597 20 30 DEEDHN Cc1c(C#N)c(NC[C@H]2CCCN2CCCO)nc2ccccc12 ZINC000450590951 425077073 /nfs/dbraw/zinc/07/70/73/425077073.db2.gz FJFKSXQOHARJRI-OAHLLOKOSA-N 0 3 324.428 2.674 20 30 DEEDHN C#CCNC(=O)C1CCN(CCc2cccc(Cl)c2)CC1 ZINC000491537969 425121867 /nfs/dbraw/zinc/12/18/67/425121867.db2.gz VLVQMARRWFAFHN-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649780958 425079203 /nfs/dbraw/zinc/07/92/03/425079203.db2.gz KVWVYIVFBAMCFC-SNPRPXQTSA-N 0 3 305.422 2.385 20 30 DEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC(C)CC1)[C@H](C)COC ZINC000666751965 425173726 /nfs/dbraw/zinc/17/37/26/425173726.db2.gz APZIEVWMBWMDRH-HZPDHXFCSA-N 0 3 311.470 2.339 20 30 DEEDHN Clc1ccc(C#CCN2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000661145685 425335080 /nfs/dbraw/zinc/33/50/80/425335080.db2.gz VAKNLTCJLCWJSY-OAHLLOKOSA-N 0 3 300.793 2.305 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H]2CCCNC2=O)ccc1OC ZINC000657283039 425292604 /nfs/dbraw/zinc/29/26/04/425292604.db2.gz CJUUCPZMEYJYBX-HNNXBMFYSA-N 0 3 318.417 2.266 20 30 DEEDHN C=CCCn1cc(CNC[C@@H](c2ccc(F)cc2)N(C)C)nn1 ZINC000657316386 425301849 /nfs/dbraw/zinc/30/18/49/425301849.db2.gz FDWOCOSHDFZZPB-KRWDZBQOSA-N 0 3 317.412 2.386 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000654431768 425351821 /nfs/dbraw/zinc/35/18/21/425351821.db2.gz ZFHZMCPYBPIXOZ-DLBZAZTESA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCN(CCc1c(C)nc2ccccn2c1=O)[C@H](C)COC ZINC000661240119 425359299 /nfs/dbraw/zinc/35/92/99/425359299.db2.gz LVTVKWVTAGLFPK-CQSZACIVSA-N 0 3 315.417 2.068 20 30 DEEDHN C=CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H](C)COC ZINC000664758114 425448697 /nfs/dbraw/zinc/44/86/97/425448697.db2.gz HHZOWXVXTZDLFC-HOCLYGCPSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662631689 425698093 /nfs/dbraw/zinc/69/80/93/425698093.db2.gz XTBDEZFOFLIDQY-BASYENTBSA-N 0 3 306.450 2.334 20 30 DEEDHN Cn1cc(CNCc2cccc(N3CCOC3=O)c2)cc1C#N ZINC000496383292 268128522 /nfs/dbraw/zinc/12/85/22/268128522.db2.gz JIHZWMZWDZVHEY-UHFFFAOYSA-N 0 3 310.357 2.143 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](c2cccnc2)C1 ZINC000528535588 268296600 /nfs/dbraw/zinc/29/66/00/268296600.db2.gz KIDOVYUDWSPLFM-MSOLQXFVSA-N 0 3 323.396 2.182 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000528409606 268299640 /nfs/dbraw/zinc/29/96/40/268299640.db2.gz VXIKUPRQULIYNQ-WBVHZDCISA-N 0 3 311.385 2.463 20 30 DEEDHN CC1(C)C[C@@H](O)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000395464500 269101898 /nfs/dbraw/zinc/10/18/98/269101898.db2.gz URIQOUDPVZDYEL-ZDUSSCGKSA-N 0 3 321.446 2.431 20 30 DEEDHN N#Cc1ccc(NCC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC000397541036 269106774 /nfs/dbraw/zinc/10/67/74/269106774.db2.gz AXCLSSDJUFKAJS-UHFFFAOYSA-N 0 3 322.412 2.392 20 30 DEEDHN C[C@H](CNC(=O)OC(C)(C)C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000496225023 269205918 /nfs/dbraw/zinc/20/59/18/269205918.db2.gz IBTLGVFVOJCMTI-IUODEOHRSA-N 0 3 319.405 2.094 20 30 DEEDHN N#Cc1cncnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000518175254 269397647 /nfs/dbraw/zinc/39/76/47/269397647.db2.gz FIBSBKVGKUSTIN-DOTOQJQBSA-N 0 3 305.385 2.059 20 30 DEEDHN C[C@@H]1CN(c2cnc(C#N)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000345335580 274366964 /nfs/dbraw/zinc/36/69/64/274366964.db2.gz ZLHRVCNHKWSCCB-CABCVRRESA-N 0 3 307.401 2.447 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000154305331 275384679 /nfs/dbraw/zinc/38/46/79/275384679.db2.gz GMHZADIVKOPLKC-KRWDZBQOSA-N 0 3 314.429 2.149 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)c2ccccc2C)CC1 ZINC001479917437 1151199120 /nfs/dbraw/zinc/19/91/20/1151199120.db2.gz OKLJDVWGFJNYII-UHFFFAOYSA-N 0 3 315.461 2.309 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000330140204 276231975 /nfs/dbraw/zinc/23/19/75/276231975.db2.gz PJFCQZYBAHKDIB-QLFBSQMISA-N 0 3 317.437 2.260 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCC#Cc2ccc(F)cc2)C1(C)C ZINC000190001318 276348694 /nfs/dbraw/zinc/34/86/94/276348694.db2.gz ZWEGIQVACOFSST-AEFFLSMTSA-N 0 3 305.393 2.333 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2C#N)C[C@H]1C ZINC000354596343 276399412 /nfs/dbraw/zinc/39/94/12/276399412.db2.gz GWNDKFJCGNXKCS-HIFRSBDPSA-N 0 3 321.446 2.052 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000490897635 276783847 /nfs/dbraw/zinc/78/38/47/276783847.db2.gz DJIAVHPWCMSBFY-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)[C@H]2C1 ZINC000285902537 277175369 /nfs/dbraw/zinc/17/53/69/277175369.db2.gz VEQZISHERPWPSM-WFASDCNBSA-N 0 3 303.793 2.378 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264539866 277306431 /nfs/dbraw/zinc/30/64/31/277306431.db2.gz AKIDIDVMWMMRGN-HNMKQIAWSA-N 0 3 315.417 2.367 20 30 DEEDHN CC(C)CN1CCC(NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000330021128 277382861 /nfs/dbraw/zinc/38/28/61/277382861.db2.gz XHXMOOZFQHCTLR-CQSZACIVSA-N 0 3 316.467 2.031 20 30 DEEDHN C#CCSCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287433770 277696031 /nfs/dbraw/zinc/69/60/31/277696031.db2.gz MEWNTBUITJYZTL-GDBMZVCRSA-N 0 3 319.474 2.343 20 30 DEEDHN C=CCN1CC[C@@H](N2CCNC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000420317807 277858900 /nfs/dbraw/zinc/85/89/00/277858900.db2.gz OUEZQJIADCVVDY-HZPDHXFCSA-N 0 3 319.836 2.073 20 30 DEEDHN CS[C@@H]1CN(C(=O)C#Cc2ccccc2)C[C@H]1N1CCCC1 ZINC000275228843 278148331 /nfs/dbraw/zinc/14/83/31/278148331.db2.gz DRXSBOBYGDDCGG-IAGOWNOFSA-N 0 3 314.454 2.076 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000328946038 279295928 /nfs/dbraw/zinc/29/59/28/279295928.db2.gz JVSMWIMVQNZJNU-IIAWOOMASA-N 0 3 320.437 2.329 20 30 DEEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@]2(CCCOC2)O1 ZINC000369721107 288157890 /nfs/dbraw/zinc/15/78/90/288157890.db2.gz LSDACTAKVDQWJS-AEFFLSMTSA-N 0 3 322.449 2.357 20 30 DEEDHN CC(CN1CCC(F)(C#N)CC1)CN1CCC(F)(C#N)CC1 ZINC000352491319 280810534 /nfs/dbraw/zinc/81/05/34/280810534.db2.gz PXAKVEDOEABKKC-UHFFFAOYSA-N 0 3 310.392 2.278 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC001574963287 1069309663 /nfs/dbraw/zinc/30/96/63/1069309663.db2.gz SMHAPESHAUCAPU-ZDUSSCGKSA-N 0 3 321.218 2.340 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3nccnc32)[C@H]1C ZINC001088939476 782064003 /nfs/dbraw/zinc/06/40/03/782064003.db2.gz SITQCJSQNKYFHW-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCCN1CCCCC1 ZINC000328977855 303077145 /nfs/dbraw/zinc/07/71/45/303077145.db2.gz WWKXIERJWAUFRW-GDBMZVCRSA-N 0 3 320.437 2.330 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2noc3c2C[C@@H](C)CC3)[C@H]1C ZINC001088952621 782073319 /nfs/dbraw/zinc/07/33/19/782073319.db2.gz AQCYSYQUTCHESL-GUTXKFCHSA-N 0 3 315.417 2.015 20 30 DEEDHN C[C@H](COc1ccccc1F)NC(=O)[C@@H](N)CCCCC#N ZINC001349824227 1151293260 /nfs/dbraw/zinc/29/32/60/1151293260.db2.gz QCYLHQQIYAOJDL-OCCSQVGLSA-N 0 3 307.369 2.120 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(C)nn1 ZINC001368917308 1148767803 /nfs/dbraw/zinc/76/78/03/1148767803.db2.gz ZUCFIUQBPPBAIT-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](c3ccncc3)C2)cc1 ZINC000573188439 326030563 /nfs/dbraw/zinc/03/05/63/326030563.db2.gz KAIUDOGNQRNUHR-ROUUACIJSA-N 0 3 323.396 2.182 20 30 DEEDHN CCO[C@@H](CNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000576823866 326322006 /nfs/dbraw/zinc/32/20/06/326322006.db2.gz VBTIMXCXRMKGJV-KRWDZBQOSA-N 0 3 321.384 2.468 20 30 DEEDHN CC(C)Oc1ccc([C@H](C)NC[C@@H](O)CN(C)CCC#N)cc1 ZINC000518757566 332836482 /nfs/dbraw/zinc/83/64/82/332836482.db2.gz FJPRBKQRPATTIN-DOTOQJQBSA-N 0 3 319.449 2.331 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CNCCc1nccs1 ZINC000570920607 332842188 /nfs/dbraw/zinc/84/21/88/332842188.db2.gz RQRJLSWTPXNQMT-OAHLLOKOSA-N 0 3 318.442 2.444 20 30 DEEDHN C[C@H](O)[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000569435503 332081994 /nfs/dbraw/zinc/08/19/94/332081994.db2.gz CJBRCQOVZQKNMY-USXIJHARSA-N 0 3 300.402 2.378 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)C(C)(C)c2cnc[nH]2)[C@H]1C ZINC001088981931 782095674 /nfs/dbraw/zinc/09/56/74/782095674.db2.gz UUQDDLPYFWEXEG-NEPJUHHUSA-N 0 3 310.829 2.019 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC000365234227 333399639 /nfs/dbraw/zinc/39/96/39/333399639.db2.gz MWIBUNCLNLZYSG-HXUWFJFHSA-N 0 3 311.473 2.138 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000332565800 336174631 /nfs/dbraw/zinc/17/46/31/336174631.db2.gz SOEIHPHYKMWFEI-VQHPVUNQSA-N 0 3 323.481 2.387 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351938254 336181357 /nfs/dbraw/zinc/18/13/57/336181357.db2.gz WWSHSBQQBRVHGI-SOLBZPMBSA-N 0 3 318.461 2.179 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(OC)c2OC)[C@H]1C ZINC001089002036 782108755 /nfs/dbraw/zinc/10/87/55/782108755.db2.gz PTCWMUDOKLSIOC-HIFRSBDPSA-N 0 3 318.417 2.473 20 30 DEEDHN CN(c1ccnc(C#N)n1)C1CCN(Cc2ccccc2)CC1 ZINC000393918017 337094456 /nfs/dbraw/zinc/09/44/56/337094456.db2.gz NRLRCKMCLZNRTA-UHFFFAOYSA-N 0 3 307.401 2.449 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H](CC(F)F)c1ccccc1 ZINC000583079573 337236565 /nfs/dbraw/zinc/23/65/65/337236565.db2.gz BJRPCRSWKQPXBN-LSDHHAIUSA-N 0 3 311.376 2.179 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185571501 337249201 /nfs/dbraw/zinc/24/92/01/337249201.db2.gz VCMXUTOBTVOXJA-DHSIGJKJSA-N 0 3 315.417 2.195 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000584508334 337352477 /nfs/dbraw/zinc/35/24/77/337352477.db2.gz UPXZYISQSRLOIF-FRRDWIJNSA-N 0 3 319.430 2.128 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000584563882 337362938 /nfs/dbraw/zinc/36/29/38/337362938.db2.gz QUVQUTVYCGKJLL-AWEZNQCLSA-N 0 3 317.458 2.249 20 30 DEEDHN C=CCN(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000161384645 337583710 /nfs/dbraw/zinc/58/37/10/337583710.db2.gz JCXWLODLGHJOJU-UHFFFAOYSA-N 0 3 301.434 2.233 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1CCO)C(C)C ZINC000429941622 338092477 /nfs/dbraw/zinc/09/24/77/338092477.db2.gz KQNFEQIMVOSVBS-SJORKVTESA-N 0 3 323.481 2.241 20 30 DEEDHN C=CC[C@@H](CO)CNCc1ccnn1-c1ccccc1OC ZINC000430035086 338093991 /nfs/dbraw/zinc/09/39/91/338093991.db2.gz PBIFBMGQXRUWOF-CQSZACIVSA-N 0 3 301.390 2.155 20 30 DEEDHN C#CCNC(=O)C1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000491267806 339855781 /nfs/dbraw/zinc/85/57/81/339855781.db2.gz VNLUZHJCMGQYOK-DLBZAZTESA-N 0 3 300.377 2.143 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496402286 340004717 /nfs/dbraw/zinc/00/47/17/340004717.db2.gz KDGLEEJENPQUGW-SUMWQHHRSA-N 0 3 321.421 2.396 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000497081536 340019814 /nfs/dbraw/zinc/01/98/14/340019814.db2.gz NEGWBVNOWIRPMQ-AGIUHOORSA-N 0 3 307.394 2.004 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](C)N1CCCC1 ZINC000545954817 341148345 /nfs/dbraw/zinc/14/83/45/341148345.db2.gz VALNELFCLZKVHE-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN CC#CCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000564331154 341232779 /nfs/dbraw/zinc/23/27/79/341232779.db2.gz PZJWIEDPHHKXAG-UHFFFAOYSA-N 0 3 313.445 2.037 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1CCOC1 ZINC000246835784 341357482 /nfs/dbraw/zinc/35/74/82/341357482.db2.gz BINFPWGHAMKREA-BNQMIIOLSA-N 0 3 321.465 2.274 20 30 DEEDHN CC[C@@H](CNC(=O)c1cncs1)NCc1ccc(C#N)s1 ZINC001378243986 1152248629 /nfs/dbraw/zinc/24/86/29/1152248629.db2.gz ZYCARBKKDIFTGP-JTQLQIEISA-N 0 3 320.443 2.374 20 30 DEEDHN CC1(C)OCC[C@H]1NN=Cc1ccc(N2CCOCC2)cc1 ZINC000835015110 649866525 /nfs/dbraw/zinc/86/65/25/649866525.db2.gz PHIPHWFCYYZEIA-MRXNPFEDSA-N 0 3 303.406 2.014 20 30 DEEDHN CC(C)N(CCN(C)CCOc1ccccc1)C(=O)[C@@H](C)C#N ZINC001369516282 1149010287 /nfs/dbraw/zinc/01/02/87/1149010287.db2.gz RBJFOPJZFLFXLB-INIZCTEOSA-N 0 3 317.433 2.394 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)CNCc1c(F)cccc1Cl ZINC001378545292 1152370242 /nfs/dbraw/zinc/37/02/42/1152370242.db2.gz AUVLBRRGNGQXIX-WDEREUQCSA-N 0 3 311.788 2.481 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](C)OCc2ccccc2)C1 ZINC001330012445 1149034573 /nfs/dbraw/zinc/03/45/73/1149034573.db2.gz HZQBALQVQSZLKY-HOTGVXAUSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC001330245569 1149079064 /nfs/dbraw/zinc/07/90/64/1149079064.db2.gz ZHUPYKXQKYQYDY-MRXNPFEDSA-N 0 3 319.449 2.274 20 30 DEEDHN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000297352461 533852653 /nfs/dbraw/zinc/85/26/53/533852653.db2.gz HXLPMXAQZSKFKU-CQSZACIVSA-N 0 3 312.417 2.184 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001401203622 1161893232 /nfs/dbraw/zinc/89/32/32/1161893232.db2.gz MGPIRILLLOUXLI-QWHCGFSZSA-N 0 3 321.446 2.125 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001378805141 1152451061 /nfs/dbraw/zinc/45/10/61/1152451061.db2.gz PIWQVQTYKDKZMR-BXUZGUMPSA-N 0 3 309.360 2.382 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3cc(C)ccc3C)[C@@H]2C1 ZINC001330328856 1149092842 /nfs/dbraw/zinc/09/28/42/1149092842.db2.gz PODIJRJHJZBSMK-LDLYASANSA-N 0 3 310.441 2.163 20 30 DEEDHN C[C@H](CNC(=O)NCC#Cc1ccccc1)N1CCC[C@H](C)C1 ZINC000337376905 534097467 /nfs/dbraw/zinc/09/74/67/534097467.db2.gz SAQJXHJPXXEOIL-DLBZAZTESA-N 0 3 313.445 2.458 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001378869184 1152473834 /nfs/dbraw/zinc/47/38/34/1152473834.db2.gz HKBBSKNHDGJKQZ-JOCQHMNTSA-N 0 3 323.824 2.249 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001401852858 1162154302 /nfs/dbraw/zinc/15/43/02/1162154302.db2.gz FCYGQCSMOCAKFX-JSGCOSHPSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(CC)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000454820989 534411701 /nfs/dbraw/zinc/41/17/01/534411701.db2.gz QTTOAYRWEQRGMW-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN N#CCCN(C(=O)CN[C@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000373815377 534630952 /nfs/dbraw/zinc/63/09/52/534630952.db2.gz NRZWOOTVYIPNST-WMZOPIPTSA-N 0 3 313.401 2.090 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(C(=O)CN(CC)CC)C1 ZINC001358804074 1152489388 /nfs/dbraw/zinc/48/93/88/1152489388.db2.gz MSJSKSODNFECRI-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN COCCCN1CCC(NC(=O)c2cccc(C#N)c2C)CC1 ZINC000338118652 523297203 /nfs/dbraw/zinc/29/72/03/523297203.db2.gz QTHURYIRQOVSRV-UHFFFAOYSA-N 0 3 315.417 2.097 20 30 DEEDHN CC[C@H](F)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001368670208 1148564670 /nfs/dbraw/zinc/56/46/70/1148564670.db2.gz WSTWOHGXPCWETK-INWMFGNUSA-N 0 3 320.412 2.465 20 30 DEEDHN CC[C@H](C)OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000158845980 524009283 /nfs/dbraw/zinc/00/92/83/524009283.db2.gz IQUGDDWUQGYCOA-HNNXBMFYSA-N 0 3 317.433 2.264 20 30 DEEDHN C[C@H](CN(C)C(=O)CCCF)NCc1ccc(F)c(C#N)c1 ZINC001425602056 1174395265 /nfs/dbraw/zinc/39/52/65/1174395265.db2.gz NSPNFTWKGJNVOD-GFCCVEGCSA-N 0 3 309.360 2.384 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCc2cncc(C)c2)CC1 ZINC000340000459 526581214 /nfs/dbraw/zinc/58/12/14/526581214.db2.gz ZYBDKVGMJHAAET-UHFFFAOYSA-N 0 3 301.434 2.479 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(CO)c2)CC1 ZINC000340586885 526592196 /nfs/dbraw/zinc/59/21/96/526592196.db2.gz ZJPHUHIUOLTMOC-UHFFFAOYSA-N 0 3 317.433 2.019 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)CC2CCCC2)CC1 ZINC000338043842 526592253 /nfs/dbraw/zinc/59/22/53/526592253.db2.gz UJKNKISXBUGQJE-QGZVFWFLSA-N 0 3 323.481 2.267 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)CC1 ZINC000332482568 526594276 /nfs/dbraw/zinc/59/42/76/526594276.db2.gz QGNLWPMTSXKBMP-IMJJTQAJSA-N 0 3 323.481 2.386 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000246799957 526594618 /nfs/dbraw/zinc/59/46/18/526594618.db2.gz IGPBBKVBXOSDNN-BZUAXINKSA-N 0 3 321.465 2.140 20 30 DEEDHN C=C(C)CNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000417679233 526618917 /nfs/dbraw/zinc/61/89/17/526618917.db2.gz HISLITMSVSNNML-UHFFFAOYSA-N 0 3 307.394 2.333 20 30 DEEDHN C#CCCCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000192008899 526681643 /nfs/dbraw/zinc/68/16/43/526681643.db2.gz VCORICPTMNSEHN-UHFFFAOYSA-N 0 3 318.417 2.055 20 30 DEEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCN(CC2CC2)CC1 ZINC000338787123 526724667 /nfs/dbraw/zinc/72/46/67/526724667.db2.gz HWTHTSDAWUXPLL-UHFFFAOYSA-N 0 3 301.438 2.264 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)cc1 ZINC000337795322 526889403 /nfs/dbraw/zinc/88/94/03/526889403.db2.gz CXJFQNGWSJOONQ-IAGOWNOFSA-N 0 3 300.402 2.494 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292583023 526924770 /nfs/dbraw/zinc/92/47/70/526924770.db2.gz PWSUYQIFQSLWKX-SFHVURJKSA-N 0 3 300.402 2.419 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000102644453 526926343 /nfs/dbraw/zinc/92/63/43/526926343.db2.gz FDDAQTUQOSWGQU-UHFFFAOYSA-N 0 3 323.396 2.303 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000341437132 526963193 /nfs/dbraw/zinc/96/31/93/526963193.db2.gz YBAJIQLYYIGTKE-AWEZNQCLSA-N 0 3 305.422 2.353 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000341416872 526967018 /nfs/dbraw/zinc/96/70/18/526967018.db2.gz CWVMDXPACNYLDC-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCSCCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000337499418 526987214 /nfs/dbraw/zinc/98/72/14/526987214.db2.gz BHXKVBCJFRLUPT-UHFFFAOYSA-N 0 3 322.478 2.074 20 30 DEEDHN C=CC[C@@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247185494 527022480 /nfs/dbraw/zinc/02/24/80/527022480.db2.gz RZLJNHKIXRYRAE-OAGGEKHMSA-N 0 3 323.481 2.482 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000341381614 527040106 /nfs/dbraw/zinc/04/01/06/527040106.db2.gz XJOVENBNZQHCBT-LSDHHAIUSA-N 0 3 309.454 2.236 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000294956298 527069493 /nfs/dbraw/zinc/06/94/93/527069493.db2.gz OQURDBTUGINWQB-INIZCTEOSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000338660768 527079133 /nfs/dbraw/zinc/07/91/33/527079133.db2.gz LPOUTVLTSFNIEZ-UHFFFAOYSA-N 0 3 315.417 2.289 20 30 DEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411243495 527124314 /nfs/dbraw/zinc/12/43/14/527124314.db2.gz SVEDWNSUWAZFLL-ZDUSSCGKSA-N 0 3 303.406 2.076 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000341450682 527149628 /nfs/dbraw/zinc/14/96/28/527149628.db2.gz FVJJKEWUMWUJDL-ULQDDVLXSA-N 0 3 322.497 2.009 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](O)[C@@H]1C ZINC000451450932 527264348 /nfs/dbraw/zinc/26/43/48/527264348.db2.gz CBOJDZXDRZTHFS-UAGQMJEPSA-N 0 3 305.418 2.000 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CCC[C@H](N(C)C)C2)c1C ZINC000109804661 527294362 /nfs/dbraw/zinc/29/43/62/527294362.db2.gz RPDWOJMWSPREDY-INIZCTEOSA-N 0 3 303.450 2.500 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000337844823 527313752 /nfs/dbraw/zinc/31/37/52/527313752.db2.gz 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CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2conc2CC)C1 ZINC001025526968 625508635 /nfs/dbraw/zinc/50/86/35/625508635.db2.gz CMROTLDZOQTNMP-ZIAGYGMSSA-N 0 3 303.406 2.091 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001025534893 625516750 /nfs/dbraw/zinc/51/67/50/625516750.db2.gz MJMRHSNEQNYZOU-UKRRQHHQSA-N 0 3 314.433 2.141 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nccc3[nH]ccc32)C1 ZINC001025536139 625517166 /nfs/dbraw/zinc/51/71/66/625517166.db2.gz USWSJBIRHBQKOJ-CABCVRRESA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(OC)c2C)C1 ZINC001025537857 625521096 /nfs/dbraw/zinc/52/10/96/625521096.db2.gz BJOCGCMFNRGCPX-HZPDHXFCSA-N 0 3 314.429 2.467 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)NC1CCC(NCC#N)CC1 ZINC001026590879 625548024 /nfs/dbraw/zinc/54/80/24/625548024.db2.gz JRODBKJXGGKEFS-JCYILVPMSA-N 0 3 320.481 2.182 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cncc(Cl)c2)C1 ZINC001025559214 625550628 /nfs/dbraw/zinc/55/06/28/625550628.db2.gz 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COc1ccc(CNC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000051619890 624870836 /nfs/dbraw/zinc/87/08/36/624870836.db2.gz CZINSVFXUSTKHE-HNNXBMFYSA-N 0 3 302.374 2.456 20 30 DEEDHN N#Cc1cc(F)ccc1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924062464 624885349 /nfs/dbraw/zinc/88/53/49/624885349.db2.gz UUKJGWMXOYCLNC-OAHLLOKOSA-N 0 3 316.332 2.142 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cnc4ccccc4c3)[C@@H]2C1 ZINC000978768344 634417086 /nfs/dbraw/zinc/41/70/86/634417086.db2.gz GORHEYNWBCOIOG-NNZMDNLPSA-N 0 3 319.408 2.166 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C[C@H]3CCCCO3)C2)C1 ZINC000972282945 624914243 /nfs/dbraw/zinc/91/42/43/624914243.db2.gz INBLULGIEWSHIA-HZPDHXFCSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001027671434 634419129 /nfs/dbraw/zinc/41/91/29/634419129.db2.gz GWUITWLMEBURGA-SJORKVTESA-N 0 3 314.429 2.318 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001022818003 624940178 /nfs/dbraw/zinc/94/01/78/624940178.db2.gz OFOZBOJNFOFDQO-TXEJJXNPSA-N 0 3 309.797 2.002 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1 ZINC001027672348 634421060 /nfs/dbraw/zinc/42/10/60/634421060.db2.gz YRGHUIKGQBWQMT-QGZVFWFLSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3n2C)C[C@@H]1C ZINC000947668717 625034930 /nfs/dbraw/zinc/03/49/30/625034930.db2.gz YQOWVEMKUOHSHA-HOCLYGCPSA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001024793520 625057118 /nfs/dbraw/zinc/05/71/18/625057118.db2.gz YTXWFHOBGWXYFO-MRXNPFEDSA-N 0 3 301.434 2.250 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001024821162 625066047 /nfs/dbraw/zinc/06/60/47/625066047.db2.gz GFTFTYKHDOSQFA-RFSXOUPVSA-N 0 3 300.446 2.273 20 30 DEEDHN Cc1nsc(C)c1CNC[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001024902240 625101739 /nfs/dbraw/zinc/10/17/39/625101739.db2.gz LOCOIZWXWORKCK-SMDDNHRTSA-N 0 3 320.462 2.390 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001022973394 625122499 /nfs/dbraw/zinc/12/24/99/625122499.db2.gz JJXSKUZFZCKFES-OKILXGFUSA-N 0 3 312.841 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC001023033245 625140645 /nfs/dbraw/zinc/14/06/45/625140645.db2.gz FPTNPJAWPAISFH-OKILXGFUSA-N 0 3 324.856 2.450 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001026132194 625146070 /nfs/dbraw/zinc/14/60/70/625146070.db2.gz IOZBJEFFLAANDU-HOXSDCPRSA-N 0 3 308.425 2.123 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccnn1C ZINC001025037463 625154668 /nfs/dbraw/zinc/15/46/68/625154668.db2.gz FRJSDTFADCHCNN-MRXNPFEDSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)n(C)n2)C[C@@H]1C ZINC000947542484 625167340 /nfs/dbraw/zinc/16/73/40/625167340.db2.gz KCRIIXBSBVZBGU-QWRGUYRKSA-N 0 3 312.364 2.126 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3ccc(C)cn23)C[C@H]1C ZINC000947543345 625172290 /nfs/dbraw/zinc/17/22/90/625172290.db2.gz SOKIRYXKDAVSEC-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cncnc1C ZINC001025205237 625260781 /nfs/dbraw/zinc/26/07/81/625260781.db2.gz SVKZZTDLTIVTPR-SJORKVTESA-N 0 3 314.433 2.430 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001025212600 625268326 /nfs/dbraw/zinc/26/83/26/625268326.db2.gz XYMAJWUYPYYOTC-IRXDYDNUSA-N 0 3 314.433 2.201 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(F)(F)F ZINC001025206998 625269230 /nfs/dbraw/zinc/26/92/30/625269230.db2.gz BJNYWNFEIGTXID-OLZOCXBDSA-N 0 3 302.340 2.418 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001024438043 625773720 /nfs/dbraw/zinc/77/37/20/625773720.db2.gz FCRJDEXCIFDUCO-OAHLLOKOSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cc3ccccc3n2C)C1 ZINC001027696183 634451652 /nfs/dbraw/zinc/45/16/52/634451652.db2.gz GCSRGXVPJSYRGC-KRWDZBQOSA-N 0 3 323.440 2.277 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001024504690 625822564 /nfs/dbraw/zinc/82/25/64/625822564.db2.gz NPYIEAZAASUIPR-OAHLLOKOSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001024509058 625831157 /nfs/dbraw/zinc/83/11/57/625831157.db2.gz PAAILBGASHYYIF-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001024515707 625832196 /nfs/dbraw/zinc/83/21/96/625832196.db2.gz ZMHIAZHMVJPFKB-AWEZNQCLSA-N 0 3 312.417 2.344 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)cc(=O)oc1C ZINC001024541532 625860006 /nfs/dbraw/zinc/86/00/06/625860006.db2.gz MLAODWRDXLONDL-OAHLLOKOSA-N 0 3 318.417 2.417 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cncc(OC)c2C)C1 ZINC000998987087 634458741 /nfs/dbraw/zinc/45/87/41/634458741.db2.gz KNZPRMYKVRBHRV-UHFFFAOYSA-N 0 3 323.824 2.344 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(C)c2Cl)C1 ZINC000998988894 634459142 /nfs/dbraw/zinc/45/91/42/634459142.db2.gz OLBRIEFQSDPWAF-UHFFFAOYSA-N 0 3 317.220 2.019 20 30 DEEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490883 625887032 /nfs/dbraw/zinc/88/70/32/625887032.db2.gz YRAXVPDQHIMRTR-OUJBWJOFSA-N 0 3 306.749 2.412 20 30 DEEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000892493632 625890706 /nfs/dbraw/zinc/89/07/06/625890706.db2.gz OCCKXAKTSQMPNY-XDTLVQLUSA-N 0 3 306.749 2.412 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2coc(OCC)n2)C1 ZINC000999053943 634468414 /nfs/dbraw/zinc/46/84/14/634468414.db2.gz RLLWECFTEVLJOE-UHFFFAOYSA-N 0 3 313.785 2.018 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3sccc3C(F)F)[C@@H]2C1 ZINC000979007420 634476316 /nfs/dbraw/zinc/47/63/16/634476316.db2.gz NVCBVSYEQYALKS-CNDDSTCGSA-N 0 3 310.369 2.227 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(F)c(C)c3)[C@@H]2C1 ZINC000979078067 634493076 /nfs/dbraw/zinc/49/30/76/634493076.db2.gz QYFDGYOXMWRBDQ-OSYLJGHBSA-N 0 3 314.404 2.373 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C)CCOCC2)C1 ZINC000999557168 634626819 /nfs/dbraw/zinc/62/68/19/634626819.db2.gz PXKZJZHCLZZZLZ-UHFFFAOYSA-N 0 3 300.830 2.135 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(C(C)C)c2)C1 ZINC000999677289 634656213 /nfs/dbraw/zinc/65/62/13/634656213.db2.gz WTJFSFIEPANHLI-UHFFFAOYSA-N 0 3 310.829 2.409 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cnn(C)c3)C[C@@H]2C1 ZINC000979524424 634669315 /nfs/dbraw/zinc/66/93/15/634669315.db2.gz YXILHQUVDHEREY-GUTXKFCHSA-N 0 3 322.840 2.003 20 30 DEEDHN CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979520602 634674248 /nfs/dbraw/zinc/67/42/48/634674248.db2.gz RUKJYNAROBYFKB-ARFHVFGLSA-N 0 3 312.413 2.246 20 30 DEEDHN CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979520602 634674251 /nfs/dbraw/zinc/67/42/51/634674251.db2.gz RUKJYNAROBYFKB-ARFHVFGLSA-N 0 3 312.413 2.246 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2OC)C[C@H]1C ZINC000947949721 634789795 /nfs/dbraw/zinc/78/97/95/634789795.db2.gz ZKVHGRQJQALBLE-HUUCEWRRSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(Cl)cc1 ZINC000836183030 650061480 /nfs/dbraw/zinc/06/14/80/650061480.db2.gz KCKCNIVWUKCXEG-UHFFFAOYSA-N 0 3 307.825 2.137 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2coc(CC)n2)CC1 ZINC000836284918 650075385 /nfs/dbraw/zinc/07/53/85/650075385.db2.gz AWYPLILCXFCEOI-UHFFFAOYSA-N 0 3 306.410 2.077 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000836490286 650097893 /nfs/dbraw/zinc/09/78/93/650097893.db2.gz RREVADMXAOKEAN-QAPCUYQASA-N 0 3 313.445 2.483 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001024694638 632931718 /nfs/dbraw/zinc/93/17/18/632931718.db2.gz KXAHCPJFDZUACW-CYBMUJFWSA-N 0 3 320.824 2.046 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001024733759 632956220 /nfs/dbraw/zinc/95/62/20/632956220.db2.gz NNTGXRGKDGRLAV-INIZCTEOSA-N 0 3 324.428 2.479 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C3CCC3)c2)C(C)(C)C1 ZINC000974574381 633152457 /nfs/dbraw/zinc/15/24/57/633152457.db2.gz AQJADRPTRLHHHY-INIZCTEOSA-N 0 3 314.433 2.072 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CN(C[C@@H](C)OC)CC1(C)C ZINC000974678523 633230029 /nfs/dbraw/zinc/23/00/29/633230029.db2.gz BXVGPWOTBGLBIF-ZBFHGGJFSA-N 0 3 319.449 2.149 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@H](NCCF)C(C)(C)C2)cc1 ZINC000996387186 633252519 /nfs/dbraw/zinc/25/25/19/633252519.db2.gz WADVUPUQQCPEGR-INIZCTEOSA-N 0 3 318.392 2.108 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cncc(C)c2)C(C)(C)C1 ZINC000974877753 633346781 /nfs/dbraw/zinc/34/67/81/633346781.db2.gz FSDYZNUXDCDSAN-MRXNPFEDSA-N 0 3 301.434 2.335 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001027007232 633354559 /nfs/dbraw/zinc/35/45/59/633354559.db2.gz WMOZRUORWBXPTF-WMLDXEAASA-N 0 3 317.408 2.490 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001027038394 633371663 /nfs/dbraw/zinc/37/16/63/633371663.db2.gz LNFBPOIJXZKVOX-YJBOKZPZSA-N 0 3 318.465 2.269 20 30 DEEDHN Cc1cc(Cl)ccc1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000124427819 633385281 /nfs/dbraw/zinc/38/52/81/633385281.db2.gz QNNILLATOLYUGL-CYBMUJFWSA-N 0 3 320.776 2.359 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001027089332 633430435 /nfs/dbraw/zinc/43/04/35/633430435.db2.gz VJZXDRYPXLFCHF-RHSMWYFYSA-N 0 3 309.413 2.296 20 30 DEEDHN Cc1conc1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001027157522 633469077 /nfs/dbraw/zinc/46/90/77/633469077.db2.gz ANFQQOXZTBQOOK-CQSZACIVSA-N 0 3 324.384 2.107 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2cnns2)CC1 ZINC000996869482 633477166 /nfs/dbraw/zinc/47/71/66/633477166.db2.gz ISBJUUOTIGYJNO-UHFFFAOYSA-N 0 3 308.451 2.221 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC001027316994 633642638 /nfs/dbraw/zinc/64/26/38/633642638.db2.gz LPDCJXLTVLCAHR-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN Cc1nc(CCN(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001027336630 633664121 /nfs/dbraw/zinc/66/41/21/633664121.db2.gz SKQAHTZCLMRZSG-IUODEOHRSA-N 0 3 320.462 2.077 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnoc2CC)CC1 ZINC000997326092 633701380 /nfs/dbraw/zinc/70/13/80/633701380.db2.gz DGFQCXGFYVPHDU-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)cn2)C1 ZINC001027421749 633760544 /nfs/dbraw/zinc/76/05/44/633760544.db2.gz SUWQANKXSGCPOQ-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3n(c2)CCCC3)CC1 ZINC000997456480 633767822 /nfs/dbraw/zinc/76/78/22/633767822.db2.gz DUTRZSUYFQSPAA-OAHLLOKOSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001027443402 633793268 /nfs/dbraw/zinc/79/32/68/633793268.db2.gz LRKSJMUHMVQWKF-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2OCC=C)C1 ZINC001027468388 633840620 /nfs/dbraw/zinc/84/06/20/633840620.db2.gz IRLKQTWUEAXKDP-INIZCTEOSA-N 0 3 312.413 2.421 20 30 DEEDHN CCc1nc(CNCC2CCN(C(=O)[C@@H](C)C#N)CC2)cs1 ZINC000997610994 633899498 /nfs/dbraw/zinc/89/94/98/633899498.db2.gz BWZWNQROFHXBNI-LBPRGKRZSA-N 0 3 320.462 2.193 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3cccnn32)C(C)(C)C1 ZINC000977271123 633902522 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C=C(C)CN1CCCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC000982058088 635848192 /nfs/dbraw/zinc/84/81/92/635848192.db2.gz CVCNXVBSROLJGN-UHFFFAOYSA-N 0 3 304.438 2.117 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000982088943 635857897 /nfs/dbraw/zinc/85/78/97/635857897.db2.gz RFGGPOIUSYDOTI-UHFFFAOYSA-N 0 3 308.813 2.162 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cn(C(C)C)nc3C)C2)C1 ZINC000982113063 635875081 /nfs/dbraw/zinc/87/50/81/635875081.db2.gz IQACSJCRDKCFPJ-UHFFFAOYSA-N 0 3 316.449 2.496 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CC[C@H]3CC[C@H](C)O3)C2)C1 ZINC000982159300 635893292 /nfs/dbraw/zinc/89/32/92/635893292.db2.gz BSIODBPGKVCFLB-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000982215228 635910216 /nfs/dbraw/zinc/91/02/16/635910216.db2.gz UNCDRBQSLYPLDS-KRWDZBQOSA-N 0 3 312.413 2.110 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2nsnc21 ZINC001028235956 635937722 /nfs/dbraw/zinc/93/77/22/635937722.db2.gz FUWHOYMQCMSARI-LLVKDONJSA-N 0 3 302.403 2.072 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@]2(C)C1 ZINC000982294067 635952148 /nfs/dbraw/zinc/95/21/48/635952148.db2.gz YDUGZCIPHUFZBX-BMFZPTHFSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC3(F)F)C[C@]2(C)C1 ZINC000982305310 635959134 /nfs/dbraw/zinc/95/91/34/635959134.db2.gz QVHJHPLGVBRHOH-CWRNSKLLSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)Cc3ccc(C)cc3)C[C@]2(C)C1 ZINC000982352358 635989969 /nfs/dbraw/zinc/98/99/69/635989969.db2.gz JDUZKHZTKVUQOO-BGYRXZFFSA-N 0 3 310.441 2.341 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001028320157 636126627 /nfs/dbraw/zinc/12/66/27/636126627.db2.gz PNOGCRFIGDPISH-CQSZACIVSA-N 0 3 302.422 2.370 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CCCCN1CC ZINC001028331751 636132593 /nfs/dbraw/zinc/13/25/93/636132593.db2.gz KJYMXHVTAOMMBS-LSDHHAIUSA-N 0 3 313.873 2.194 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(NC(C)=O)ccc1C ZINC001028355000 636145355 /nfs/dbraw/zinc/14/53/55/636145355.db2.gz ZQBZTGOIWZLGDT-INIZCTEOSA-N 0 3 315.417 2.334 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3Cc4ccccc43)C[C@]2(C)C1 ZINC000982495852 636165730 /nfs/dbraw/zinc/16/57/30/636165730.db2.gz GYLYIVKZGLDJLN-YSIASYRMSA-N 0 3 308.425 2.130 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)no1 ZINC001028391817 636165850 /nfs/dbraw/zinc/16/58/50/636165850.db2.gz SKODEXFLUCGAOA-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN CC(C)(C)C#CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000837661519 650241940 /nfs/dbraw/zinc/24/19/40/650241940.db2.gz CWHMNEZYGGVCCX-MRXNPFEDSA-N 0 3 300.402 2.241 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3(CF)CCC3)C[C@]2(C)C1 ZINC000982571840 636272970 /nfs/dbraw/zinc/27/29/70/636272970.db2.gz URCGNUVBEQXEPC-CALCHBBNSA-N 0 3 306.425 2.320 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)[C@H]3CC3(F)F)C2)cc1 ZINC001028532700 636324560 /nfs/dbraw/zinc/32/45/60/636324560.db2.gz UBDHEWYIYBAMMN-LSDHHAIUSA-N 0 3 319.355 2.152 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001028536757 636327863 /nfs/dbraw/zinc/32/78/63/636327863.db2.gz XAOAPSSSCJFSCX-CYBMUJFWSA-N 0 3 303.406 2.047 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001028544422 636333907 /nfs/dbraw/zinc/33/39/07/636333907.db2.gz FDOFHNQZJQQGMM-NSHDSACASA-N 0 3 310.319 2.448 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2nsc3ccccc32)C1 ZINC001028561210 636340563 /nfs/dbraw/zinc/34/05/63/636340563.db2.gz RUJQJQWKYQRFGO-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN COC(=O)c1cnc(CCNCc2ccc(C#N)cc2F)s1 ZINC000922832833 636428851 /nfs/dbraw/zinc/42/88/51/636428851.db2.gz GULWNCUWAGDJAQ-UHFFFAOYSA-N 0 3 319.361 2.273 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001028595922 636482584 /nfs/dbraw/zinc/48/25/84/636482584.db2.gz DFOAELBSRRWNOS-RGYNNNPXSA-N 0 3 300.446 2.130 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001028608731 636501535 /nfs/dbraw/zinc/50/15/35/636501535.db2.gz VGFOSKGVXAQTQT-LBPRGKRZSA-N 0 3 305.447 2.126 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001028617266 636505236 /nfs/dbraw/zinc/50/52/36/636505236.db2.gz CBZITJGYCOIGCG-AWEZNQCLSA-N 0 3 309.369 2.027 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2coc3cc(F)ccc23)C1 ZINC001028644673 636542703 /nfs/dbraw/zinc/54/27/03/636542703.db2.gz YNDBBVBOFWFJBD-GFCCVEGCSA-N 0 3 300.333 2.257 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001028651395 636553015 /nfs/dbraw/zinc/55/30/15/636553015.db2.gz GYIYWNCWGMHFRU-AWEZNQCLSA-N 0 3 309.369 2.027 20 30 DEEDHN C[C@H](NCc1cncs1)[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004860649 636597684 /nfs/dbraw/zinc/59/76/84/636597684.db2.gz HNKQOOUELCIPPW-XJKSGUPXSA-N 0 3 317.458 2.416 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ncnc3sccc32)CC1 ZINC001005413492 636734970 /nfs/dbraw/zinc/73/49/70/636734970.db2.gz URICADOWICLUHZ-UHFFFAOYSA-N 0 3 316.430 2.414 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC001005677755 636815544 /nfs/dbraw/zinc/81/55/44/636815544.db2.gz LSPHIMOMOHPIIZ-UHFFFAOYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC001005695079 636821662 /nfs/dbraw/zinc/82/16/62/636821662.db2.gz OKZWDFUJIDPNME-FUHWJXTLSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC001005695084 636821789 /nfs/dbraw/zinc/82/17/89/636821789.db2.gz OKZWDFUJIDPNME-WMZOPIPTSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)nn(C)c2C)CC1 ZINC001005788276 636838774 /nfs/dbraw/zinc/83/87/74/636838774.db2.gz FLXLBRKBXLVFLJ-UHFFFAOYSA-N 0 3 304.438 2.149 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001028910334 636843326 /nfs/dbraw/zinc/84/33/26/636843326.db2.gz MGMPSPSXXGZHQR-HNNXBMFYSA-N 0 3 309.413 2.253 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001028918078 636851078 /nfs/dbraw/zinc/85/10/78/636851078.db2.gz XTYNMZZXEZLPNY-CYBMUJFWSA-N 0 3 319.474 2.417 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001028946416 636881283 /nfs/dbraw/zinc/88/12/83/636881283.db2.gz JYVBOFFJTUAUCR-CQSZACIVSA-N 0 3 311.385 2.211 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001028950402 636885786 /nfs/dbraw/zinc/88/57/86/636885786.db2.gz HLPCYQAIBNDIKY-MRXNPFEDSA-N 0 3 313.445 2.218 20 30 DEEDHN C#CCN(C(=O)N[C@@H](CC)[C@@H]1CCCCO1)C1CCN(C)CC1 ZINC000923127568 636981652 /nfs/dbraw/zinc/98/16/52/636981652.db2.gz KYVBCFSDBPPNIJ-IRXDYDNUSA-N 0 3 321.465 2.073 20 30 DEEDHN C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894931613 637332479 /nfs/dbraw/zinc/33/24/79/637332479.db2.gz BPMUKJZDPFUERB-RDJZCZTQSA-N 0 3 316.449 2.066 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2scnc2COC)C[C@H]1C ZINC000947795388 637411467 /nfs/dbraw/zinc/41/14/67/637411467.db2.gz BXONAJNCZQKCER-VXGBXAGGSA-N 0 3 309.435 2.058 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)C[C@H]1C ZINC000947796735 637482854 /nfs/dbraw/zinc/48/28/54/637482854.db2.gz RAIRYLJETRCYLO-KDOFPFPSSA-N 0 3 312.413 2.323 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(Cc2cccc(C)c2)C1 ZINC000838623856 637614463 /nfs/dbraw/zinc/61/44/63/637614463.db2.gz SDQURVLVJNZXSA-UHFFFAOYSA-N 0 3 313.445 2.134 20 30 DEEDHN C#CCOCCC(=O)O[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000839091191 637777059 /nfs/dbraw/zinc/77/70/59/637777059.db2.gz ADPMGNFYHJFBES-AEFFLSMTSA-N 0 3 315.413 2.480 20 30 DEEDHN C#CC[C@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)C(=O)OC ZINC000839168568 637807904 /nfs/dbraw/zinc/80/79/04/637807904.db2.gz KVFZZUGZVIPCBT-SJORKVTESA-N 0 3 314.429 2.194 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNCc3cc(C)no3)C2)cc1 ZINC000984511049 638122480 /nfs/dbraw/zinc/12/24/80/638122480.db2.gz PSUJFBQJONLGMI-JCNLHEQBSA-N 0 3 323.396 2.263 20 30 DEEDHN C#CCOc1ccccc1CN1CCC2(CC1)COCCO2 ZINC000895694312 638147699 /nfs/dbraw/zinc/14/76/99/638147699.db2.gz FJOXSDWLNWCZED-UHFFFAOYSA-N 0 3 301.386 2.080 20 30 DEEDHN C=CCC1(O)CCN(Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000895836129 638226717 /nfs/dbraw/zinc/22/67/17/638226717.db2.gz WUVZOTYVCINQEN-UHFFFAOYSA-N 0 3 319.401 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 ZINC000896208312 638416536 /nfs/dbraw/zinc/41/65/36/638416536.db2.gz CMHWMJGGAXFRIO-ZDUSSCGKSA-N 0 3 316.449 2.305 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(F)cc2)s1 ZINC000749110907 638616045 /nfs/dbraw/zinc/61/60/45/638616045.db2.gz SVRJCCRBXMUEEI-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000896963207 639102018 /nfs/dbraw/zinc/10/20/18/639102018.db2.gz WJQZWXMTFQZSPC-MRXNPFEDSA-N 0 3 301.386 2.474 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)nn(CC)c2C)C[C@H]1C ZINC000947813918 639400929 /nfs/dbraw/zinc/40/09/29/639400929.db2.gz FLGNKKAUFMFZRO-IUODEOHRSA-N 0 3 304.438 2.289 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2C(=O)NCC2(CC)CC)cc1 ZINC000897346394 639528357 /nfs/dbraw/zinc/52/83/57/639528357.db2.gz URJAUXWRZVBFIX-QGZVFWFLSA-N 0 3 314.429 2.483 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cn1 ZINC000728862811 639547631 /nfs/dbraw/zinc/54/76/31/639547631.db2.gz MMMBIXLZFYTWKD-UHFFFAOYSA-N 0 3 307.397 2.267 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)nc1 ZINC000728862816 639547792 /nfs/dbraw/zinc/54/77/92/639547792.db2.gz MSUDSHNRKLNLLS-GOSISDBHSA-N 0 3 307.397 2.404 20 30 DEEDHN CC(=O)C(C)(C)CCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000755748465 639583873 /nfs/dbraw/zinc/58/38/73/639583873.db2.gz JAYXNBVVSFEXGL-HNNXBMFYSA-N 0 3 314.385 2.407 20 30 DEEDHN N#Cc1ccc(OCCCN2CCSC[C@H]2CCO)cc1 ZINC000756083561 639622764 /nfs/dbraw/zinc/62/27/64/639622764.db2.gz RDPAJJYZILCCEV-OAHLLOKOSA-N 0 3 306.431 2.127 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)CC1CC1 ZINC000985859948 639667384 /nfs/dbraw/zinc/66/73/84/639667384.db2.gz ZRLAAKQGMPFBLV-NHYWBVRUSA-N 0 3 303.431 2.499 20 30 DEEDHN C#CCNC(=S)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000758236916 639933163 /nfs/dbraw/zinc/93/31/63/639933163.db2.gz FKMWQEFMQJCNAG-HNNXBMFYSA-N 0 3 301.459 2.091 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](NCc3ccccn3)[C@@H]2C)cc1 ZINC000986639101 639963085 /nfs/dbraw/zinc/96/30/85/639963085.db2.gz ZAPBYWZJYNVXOS-HNAYVOBHSA-N 0 3 319.408 2.456 20 30 DEEDHN C=CCN1CC(=O)N(C[C@@H](c2ccc(CC)cc2)N(C)C)C1=O ZINC000760951577 640247950 /nfs/dbraw/zinc/24/79/50/640247950.db2.gz OYDALFBNUVKXMQ-INIZCTEOSA-N 0 3 315.417 2.302 20 30 DEEDHN CCCC(=O)N1C[C@H](NCc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000987784035 640279807 /nfs/dbraw/zinc/27/98/07/640279807.db2.gz UOHSZIFLSOLNFF-CZUORRHYSA-N 0 3 315.417 2.446 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3[nH]c(=O)oc32)CC1 ZINC000888170278 640396183 /nfs/dbraw/zinc/39/61/83/640396183.db2.gz VCUIYAQALYRWRC-UHFFFAOYSA-N 0 3 316.361 2.305 20 30 DEEDHN CCN(CC)c1ccnc(N=NC2CN(C(C)C)C[C@H]2C)n1 ZINC000762616953 640444441 /nfs/dbraw/zinc/44/44/41/640444441.db2.gz KDPZTKGTWKVNQJ-CYBMUJFWSA-N 0 3 304.442 2.451 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763926033 640586005 /nfs/dbraw/zinc/58/60/05/640586005.db2.gz VJYMAFRMHNNRSH-WCQYABFASA-N 0 3 319.368 2.278 20 30 DEEDHN Cc1nc(C)c(CN[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)s1 ZINC000988824335 640668550 /nfs/dbraw/zinc/66/85/50/640668550.db2.gz GCNDTYLSELMMLU-IAQYHMDHSA-N 0 3 317.458 2.252 20 30 DEEDHN Cc1nc(C)c(CN[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)s1 ZINC000988824334 640668582 /nfs/dbraw/zinc/66/85/82/640668582.db2.gz GCNDTYLSELMMLU-ABAIWWIYSA-N 0 3 317.458 2.252 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc3c2cccc3OC)C1 ZINC000988850594 640678241 /nfs/dbraw/zinc/67/82/41/640678241.db2.gz DIOXBKATBVJUSY-QWHCGFSZSA-N 0 3 312.369 2.267 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccnn2C(CC)CC)C1 ZINC000988956381 640696548 /nfs/dbraw/zinc/69/65/48/640696548.db2.gz VXVUFIJCRVDUSI-ZIAGYGMSSA-N 0 3 302.422 2.070 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](NCc2cccnc2)C[C@H]1C ZINC000988967142 640698799 /nfs/dbraw/zinc/69/87/99/640698799.db2.gz OCFDSKUZCVXBAS-WBVHZDCISA-N 0 3 324.428 2.462 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2nc(C(C)(C)C)cs2)C1 ZINC000988988254 640702501 /nfs/dbraw/zinc/70/25/01/640702501.db2.gz BUOFKXSLYBSGRN-NWDGAFQWSA-N 0 3 305.447 2.266 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnc(-c3ccccc3)o2)C1 ZINC000989000811 640705493 /nfs/dbraw/zinc/70/54/93/640705493.db2.gz JIYXAHZMVMUJOD-ZFWWWQNUSA-N 0 3 309.369 2.167 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](NCCF)C[C@H]2C)cc1 ZINC000989049528 640711554 /nfs/dbraw/zinc/71/15/54/640711554.db2.gz JLZBZJDAHWOFPC-HIFRSBDPSA-N 0 3 306.381 2.414 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000765243998 640756347 /nfs/dbraw/zinc/75/63/47/640756347.db2.gz CLTIBLWBHPWEKN-DNVCBOLYSA-N 0 3 319.408 2.313 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC000989523935 641134297 /nfs/dbraw/zinc/13/42/97/641134297.db2.gz VALUANFQVIGMND-KBPBESRZSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC000989545456 641140250 /nfs/dbraw/zinc/14/02/50/641140250.db2.gz BYFGDOMWYDYXOB-GDBMZVCRSA-N 0 3 309.413 2.231 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2OC(C)C)C1 ZINC000989547230 641140619 /nfs/dbraw/zinc/14/06/19/641140619.db2.gz QWHZEZVXFHIMGD-NVXWUHKLSA-N 0 3 314.429 2.229 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnn(C3CCCC3)c2C)C1 ZINC000989660562 641186441 /nfs/dbraw/zinc/18/64/41/641186441.db2.gz KKZSSJHDGIZXFG-ZFWWWQNUSA-N 0 3 314.433 2.132 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnn(C(CC)CC)c2C)C1 ZINC000989661726 641186786 /nfs/dbraw/zinc/18/67/86/641186786.db2.gz RRRNGCWXPUMBFR-ZFWWWQNUSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000989748524 641212513 /nfs/dbraw/zinc/21/25/13/641212513.db2.gz JYHIOTZZJJLPIZ-NXEZZACHSA-N 0 3 312.747 2.444 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000989748526 641212617 /nfs/dbraw/zinc/21/26/17/641212617.db2.gz JYHIOTZZJJLPIZ-VHSXEESVSA-N 0 3 312.747 2.444 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c(C)oc3ccccc32)C1 ZINC000989874487 641268294 /nfs/dbraw/zinc/26/82/94/641268294.db2.gz XXPLPCNLFKNNBK-HIFRSBDPSA-N 0 3 310.397 2.496 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3ccncc3C)CCC[C@@H]12 ZINC000990712519 641629784 /nfs/dbraw/zinc/62/97/84/641629784.db2.gz ONNZETMVEAUGJU-MJGOQNOKSA-N 0 3 311.429 2.069 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N2CC(CC#N)C2)cc1 ZINC000898675097 641752178 /nfs/dbraw/zinc/75/21/78/641752178.db2.gz NMDVHNAQZMAXLO-INIZCTEOSA-N 0 3 301.390 2.106 20 30 DEEDHN CCCN1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000842294767 650698005 /nfs/dbraw/zinc/69/80/05/650698005.db2.gz WNVAPMJYWGYOLO-NEPJUHHUSA-N 0 3 311.341 2.263 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1[nH]c2ccccc2c1C#N ZINC000899200374 641988720 /nfs/dbraw/zinc/98/87/20/641988720.db2.gz KSIKPUUTJRXQPI-HOTGVXAUSA-N 0 3 308.385 2.348 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(OC)c1)[C@@H]1CCCO1 ZINC000775571417 642060263 /nfs/dbraw/zinc/06/02/63/642060263.db2.gz GXOYCZKEENWBNZ-JQFCIGGWSA-N 0 3 316.401 2.183 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(C)c1)[C@@H]1CCCO1 ZINC000775572763 642061673 /nfs/dbraw/zinc/06/16/73/642061673.db2.gz CRQZZBXFATVMCN-XIRDDKMYSA-N 0 3 300.402 2.483 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000776077718 642128647 /nfs/dbraw/zinc/12/86/47/642128647.db2.gz QTBAYGYEXHCKHF-OLZOCXBDSA-N 0 3 302.761 2.357 20 30 DEEDHN CN(C)c1ccncc1C=NN1C(=S)N=NC1c1ccco1 ZINC000776178665 642139836 /nfs/dbraw/zinc/13/98/36/642139836.db2.gz BBKFAGLKQZWSKW-UHFFFAOYSA-N 0 3 314.374 2.170 20 30 DEEDHN N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000900520258 642396401 /nfs/dbraw/zinc/39/64/01/642396401.db2.gz QBGDMRBYFUJZHO-AWEZNQCLSA-N 0 3 319.355 2.347 20 30 DEEDHN C#CCN1CCC[C@H]1COC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000778633350 642414176 /nfs/dbraw/zinc/41/41/76/642414176.db2.gz BTYNWALCZXUMKJ-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCO[C@@H](C)C2)c1 ZINC000778999790 642453309 /nfs/dbraw/zinc/45/33/09/642453309.db2.gz JRNGEVGCGMFFNP-HOCLYGCPSA-N 0 3 300.402 2.353 20 30 DEEDHN C[C@@H](C=NNC1=N[C@@H](C)CN1)c1cccc(Br)c1 ZINC000779794684 642539121 /nfs/dbraw/zinc/53/91/21/642539121.db2.gz LEANOUMQCWVMMW-UWVGGRQHSA-N 0 3 309.211 2.476 20 30 DEEDHN C(=NNc1ccncc1)c1ccc(C=[NH+][N-]c2ccncc2)cc1 ZINC000779812116 642543408 /nfs/dbraw/zinc/54/34/08/642543408.db2.gz ZCOFVWHSNFQTJA-UHFFFAOYSA-N 0 3 316.368 2.212 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780306630 642610540 /nfs/dbraw/zinc/61/05/40/642610540.db2.gz YYUPESURBDENDR-UKTARXLSSA-N 0 3 318.760 2.412 20 30 DEEDHN Cc1cc(NC2CCC(Oc3ncccc3C#N)CC2)nc(N)n1 ZINC000782428999 642879838 /nfs/dbraw/zinc/87/98/38/642879838.db2.gz VUZJCSDIZMQKLY-UHFFFAOYSA-N 0 3 324.388 2.436 20 30 DEEDHN N#CC(C(=O)Cc1cnn2ccccc12)C(=O)NC1CCCCC1 ZINC000842686442 650804497 /nfs/dbraw/zinc/80/44/97/650804497.db2.gz MZBZOQODBDCKTC-HNNXBMFYSA-N 0 3 324.384 2.035 20 30 DEEDHN C=CCOc1ccccc1CN1CCC2(CNC(=O)O2)CC1 ZINC000783721521 643042901 /nfs/dbraw/zinc/04/29/01/643042901.db2.gz CCOPKWPNLRTBGW-UHFFFAOYSA-N 0 3 302.374 2.326 20 30 DEEDHN C[C@@H](NCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902732147 643124479 /nfs/dbraw/zinc/12/44/79/643124479.db2.gz XRUYVLXCONZHTR-QLFBSQMISA-N 0 3 302.422 2.103 20 30 DEEDHN C[C@H](NCCCNC(=O)c1cccs1)c1cc(C#N)ccn1 ZINC000902867102 643164999 /nfs/dbraw/zinc/16/49/99/643164999.db2.gz XFNRLSVOUDQBQB-LBPRGKRZSA-N 0 3 314.414 2.485 20 30 DEEDHN COCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786550748 643383348 /nfs/dbraw/zinc/38/33/48/643383348.db2.gz YBTVDLAXEJCHIK-ZBFHGGJFSA-N 0 3 316.401 2.383 20 30 DEEDHN CO[C@H](C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786564827 643386514 /nfs/dbraw/zinc/38/65/14/643386514.db2.gz UBLYYIPVKCVNSJ-ZWNOBZJWSA-N 0 3 324.327 2.105 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1NCCC#N ZINC000787300576 643478261 /nfs/dbraw/zinc/47/82/61/643478261.db2.gz QWTAJSZOHYAAQX-RBSFLKMASA-N 0 3 323.437 2.294 20 30 DEEDHN C#CCC1(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)CCCCC1 ZINC000788520107 643619271 /nfs/dbraw/zinc/61/92/71/643619271.db2.gz GHIBSNRUSFRSME-CABCVRRESA-N 0 3 308.491 2.464 20 30 DEEDHN COC(=O)CCN1CCC(=NOCc2ccc(F)cc2)CC1 ZINC000788723072 643639407 /nfs/dbraw/zinc/63/94/07/643639407.db2.gz LKXHZHLDUNEPDN-UHFFFAOYSA-N 0 3 308.353 2.357 20 30 DEEDHN COc1cc(C(C)=N[N-]c2[nH+]ccn2C)cc(OC)c1OC ZINC000790299930 643836492 /nfs/dbraw/zinc/83/64/92/643836492.db2.gz MAGNTWQFOCUIJX-UHFFFAOYSA-N 0 3 304.350 2.282 20 30 DEEDHN COC(=O)C1CC2(C1)C[C@H](NC[C@@H](C#N)CCC#N)CCS2 ZINC000905696652 644016449 /nfs/dbraw/zinc/01/64/49/644016449.db2.gz PSZCEIMDTWJWJY-ILTLLKDXSA-N 0 3 321.446 2.237 20 30 DEEDHN C=CC[C@H](NCC1(N2CCSCC2)CCCC1)C(=O)OC ZINC000905751428 644020280 /nfs/dbraw/zinc/02/02/80/644020280.db2.gz RYHSDXJBBSVGEY-AWEZNQCLSA-N 0 3 312.479 2.055 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)nc1 ZINC000793513153 644264633 /nfs/dbraw/zinc/26/46/33/644264633.db2.gz ACEBJTWSZIORGD-SFHVURJKSA-N 0 3 323.396 2.104 20 30 DEEDHN CN1CCCC[C@H]1CCN(c1ccc(C#N)cc1)S(C)(=O)=O ZINC000906503314 644274096 /nfs/dbraw/zinc/27/40/96/644274096.db2.gz WPSASYGLWPPUFA-HNNXBMFYSA-N 0 3 321.446 2.199 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cn(C(C)C)nn2)c1 ZINC000796749018 644786842 /nfs/dbraw/zinc/78/68/42/644786842.db2.gz SQPUAZCMEURIMI-ZDUSSCGKSA-N 0 3 311.345 2.129 20 30 DEEDHN C[C@H](Cn1ccc2ccccc21)C(=O)C(C#N)C(=O)NC1CC1 ZINC000796794383 644795154 /nfs/dbraw/zinc/79/51/54/644795154.db2.gz TYEMJXYZXWFTDM-IUODEOHRSA-N 0 3 309.369 2.265 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1coc2c1ccc(F)c2F ZINC000908435347 644859496 /nfs/dbraw/zinc/85/94/96/644859496.db2.gz FCPMKHQWKRVCDM-UHFFFAOYSA-N 0 3 320.339 2.325 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000798177083 644979255 /nfs/dbraw/zinc/97/92/55/644979255.db2.gz AMKUWSMOXFRTGF-DNVCBOLYSA-N 0 3 319.408 2.313 20 30 DEEDHN Cn1cc2c(n1)CCC[C@H]2C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000798817319 645082252 /nfs/dbraw/zinc/08/22/52/645082252.db2.gz WUGLLUOHUYJBHX-KGLIPLIRSA-N 0 3 322.368 2.188 20 30 DEEDHN C#CCC1(C(=O)NCCN2CCN(C)C(C)(C)C2)CCCCC1 ZINC000799742862 645216927 /nfs/dbraw/zinc/21/69/27/645216927.db2.gz LPYJRMNFYKCREF-UHFFFAOYSA-N 0 3 319.493 2.102 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1 ZINC000800410554 645268624 /nfs/dbraw/zinc/26/86/24/645268624.db2.gz WUXYXDBFJHLSGZ-YOKBYHGQSA-N 0 3 314.385 2.134 20 30 DEEDHN COc1cc(C#N)ccc1COC(=O)C1CCN(C2CC2)CC1 ZINC000801871481 645455512 /nfs/dbraw/zinc/45/55/12/645455512.db2.gz BZPCVTVJSAOJMS-UHFFFAOYSA-N 0 3 314.385 2.484 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3onc(C)c3C)CCC[C@@H]12 ZINC000991266452 645479901 /nfs/dbraw/zinc/47/99/01/645479901.db2.gz CNEJCLLFLLHWMC-RHSMWYFYSA-N 0 3 301.390 2.042 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4cccn4cn3)CCC[C@@H]12 ZINC000991331674 645717584 /nfs/dbraw/zinc/71/75/84/645717584.db2.gz NSYFIIQURIGKGJ-AEFFLSMTSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CCN(CNC2(c3ccccc3)CCOCC2)C1=O ZINC000840036632 645748667 /nfs/dbraw/zinc/74/86/67/645748667.db2.gz STYYJCYAYFFURV-UHFFFAOYSA-N 0 3 315.417 2.163 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000912037030 645913625 /nfs/dbraw/zinc/91/36/25/645913625.db2.gz NJODSEFWBKJLGY-CQSZACIVSA-N 0 3 303.406 2.042 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000912050795 645928235 /nfs/dbraw/zinc/92/82/35/645928235.db2.gz WXLRLQVYKMHJBS-HNNXBMFYSA-N 0 3 317.433 2.350 20 30 DEEDHN C=CCc1cc(OC)cc(CN2CC[C@](O)(C(F)F)C2)c1O ZINC000840118437 645993962 /nfs/dbraw/zinc/99/39/62/645993962.db2.gz MOTKLTQRESAMSF-MRXNPFEDSA-N 0 3 313.344 2.331 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cncc(OC)c3C)CCC[C@@H]12 ZINC000991393458 646135263 /nfs/dbraw/zinc/13/52/63/646135263.db2.gz ZMASDAWWMRIJIW-SJLPKXTDSA-N 0 3 315.417 2.311 20 30 DEEDHN C#C[C@H](C)NCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000809683325 646262677 /nfs/dbraw/zinc/26/26/77/646262677.db2.gz ZAHQFMFHDFXOPU-KBPBESRZSA-N 0 3 318.417 2.052 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810532085 646371628 /nfs/dbraw/zinc/37/16/28/646371628.db2.gz CETLGTVQGXVZSC-ZDUSSCGKSA-N 0 3 304.321 2.482 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4c(c3)ncn4C)CCC[C@@H]12 ZINC000991470065 646398098 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ZINC000859429236 685727758 /nfs/dbraw/zinc/72/77/58/685727758.db2.gz DBQGKQGFXCVYII-HNNXBMFYSA-N 0 3 311.470 2.016 20 30 DEEDHN C=C(Br)CN1CCC(C)(N2CCOCC2)CC1 ZINC000859773974 685820987 /nfs/dbraw/zinc/82/09/87/685820987.db2.gz IQEWHJHZZQTFKL-UHFFFAOYSA-N 0 3 303.244 2.082 20 30 DEEDHN CCC[C@@H](OCC)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000860483017 685932128 /nfs/dbraw/zinc/93/21/28/685932128.db2.gz OIIGJWACTYVQTF-CHWSQXEVSA-N 0 3 304.394 2.386 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(OC)cnc2F)CC1 ZINC000861590554 686151802 /nfs/dbraw/zinc/15/18/02/686151802.db2.gz WNLLFQMASBUMIQ-UHFFFAOYSA-N 0 3 322.384 2.391 20 30 DEEDHN CCCCCCCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000861655363 686165618 /nfs/dbraw/zinc/16/56/18/686165618.db2.gz KMDQYWXTBIQBCE-HNNXBMFYSA-N 0 3 322.457 2.054 20 30 DEEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000862395921 686290990 /nfs/dbraw/zinc/29/09/90/686290990.db2.gz YCMFOVCMHWJBQJ-HOTGVXAUSA-N 0 3 318.465 2.174 20 30 DEEDHN Cc1ccc(O)c(CN2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000862421885 686298888 /nfs/dbraw/zinc/29/88/88/686298888.db2.gz KQRPCCWKZOTXHS-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C#CC[C@H]1CCN(Cc2cc(C(=O)OC)c3n2CCCC3)C1 ZINC000862446587 686304831 /nfs/dbraw/zinc/30/48/31/686304831.db2.gz BBMIHIXNFYQAJI-AWEZNQCLSA-N 0 3 300.402 2.456 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001054633569 694010484 /nfs/dbraw/zinc/01/04/84/694010484.db2.gz ABMRHKMBSNATJR-ZBEGNZNMSA-N 0 3 317.458 2.110 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)nc1Cl ZINC000863032573 686423353 /nfs/dbraw/zinc/42/33/53/686423353.db2.gz PULVRMJBVUTDLV-CYBMUJFWSA-N 0 3 318.808 2.353 20 30 DEEDHN COc1cc(OC)c(C=NNc2ccnc(C)c2)c(OC)c1 ZINC000863158723 686439168 /nfs/dbraw/zinc/43/91/68/686439168.db2.gz NJSQECICIZUMBG-UHFFFAOYSA-N 0 3 301.346 2.284 20 30 DEEDHN CCCCCCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000863560956 686522815 /nfs/dbraw/zinc/52/28/15/686522815.db2.gz UFYXEZZCYSRCRC-UHFFFAOYSA-N 0 3 309.435 2.287 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CC[N@@H+]2C2CCCC2)c1[O-] ZINC000864345801 686692628 /nfs/dbraw/zinc/69/26/28/686692628.db2.gz GKZSGNVUOXZYEW-ZNBBLSJYSA-N 0 3 303.406 2.024 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CC[N@H+]2C2CCCC2)c1[O-] ZINC000864345801 686692634 /nfs/dbraw/zinc/69/26/34/686692634.db2.gz GKZSGNVUOXZYEW-ZNBBLSJYSA-N 0 3 303.406 2.024 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C2CCC(C)([NH+](C)C)CC2)c1[O-] ZINC000864347497 686693996 /nfs/dbraw/zinc/69/39/96/686693996.db2.gz RRZALWSTNAETQK-VXLYETTFSA-N 0 3 305.422 2.270 20 30 DEEDHN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000929920486 694054897 /nfs/dbraw/zinc/05/48/97/694054897.db2.gz VPUDZULCCYJHNC-CZUORRHYSA-N 0 3 300.406 2.355 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCN(C(C)(C)CO)CC1 ZINC000929980032 694063638 /nfs/dbraw/zinc/06/36/38/694063638.db2.gz BARKQXNEZLVKPH-UHFFFAOYSA-N 0 3 301.434 2.064 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(COC)c(F)c2)CC1 ZINC000865194348 686964420 /nfs/dbraw/zinc/96/44/20/686964420.db2.gz 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CC#CCN1CCC2(C[C@@H]2NC(=O)Cc2ccc(C)o2)CC1 ZINC001016577939 687657489 /nfs/dbraw/zinc/65/74/89/687657489.db2.gz DKTMYTNYHKAEDX-INIZCTEOSA-N 0 3 300.402 2.125 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(OC)cc2F)CC1 ZINC001016708187 687686545 /nfs/dbraw/zinc/68/65/45/687686545.db2.gz DSFBEUNQBZYVLY-INIZCTEOSA-N 0 3 316.376 2.052 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)c(C)cn2)CC1 ZINC001016741763 687693570 /nfs/dbraw/zinc/69/35/70/687693570.db2.gz CZZXQRBJMMJPRK-KRWDZBQOSA-N 0 3 311.429 2.306 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)c(C)n2)CC1 ZINC001016738102 687693705 /nfs/dbraw/zinc/69/37/05/687693705.db2.gz QOAKDKIFSYEGIH-QGZVFWFLSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc3ccccc3n2C)CC1 ZINC001016796349 687705309 /nfs/dbraw/zinc/70/53/09/687705309.db2.gz PCBYUQMGEVOOIH-SFHVURJKSA-N 0 3 321.424 2.396 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001016799012 687705727 /nfs/dbraw/zinc/70/57/27/687705727.db2.gz UIJBBFLXTYSPJV-MRXNPFEDSA-N 0 3 311.429 2.500 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(F)ccc(F)c2F)CC1 ZINC001016802398 687706410 /nfs/dbraw/zinc/70/64/10/687706410.db2.gz GMMBPQZFGQFYDH-CYBMUJFWSA-N 0 3 322.330 2.321 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC001016799352 687706633 /nfs/dbraw/zinc/70/66/33/687706633.db2.gz YKBFQSIYVSZYJI-DLBZAZTESA-N 0 3 312.388 2.069 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016836238 687713695 /nfs/dbraw/zinc/71/36/95/687713695.db2.gz MAWXNDGXIKBXSO-HMMKNUCJSA-N 0 3 324.852 2.301 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC001016877166 687724882 /nfs/dbraw/zinc/72/48/82/687724882.db2.gz JTWIHBDZKCDTNE-WMZOPIPTSA-N 0 3 324.424 2.157 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2csc(Cl)n2)CC1 ZINC001016917897 687734188 /nfs/dbraw/zinc/73/41/88/687734188.db2.gz GYJPIDWYNHXENR-LBPRGKRZSA-N 0 3 323.849 2.404 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001016924811 687734886 /nfs/dbraw/zinc/73/48/86/687734886.db2.gz ZZLLCVJMEDHDOQ-ZDUSSCGKSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC001016936450 687737542 /nfs/dbraw/zinc/73/75/42/687737542.db2.gz UPJSZJJENADIFM-KRWDZBQOSA-N 0 3 313.445 2.431 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC001016954405 687742557 /nfs/dbraw/zinc/74/25/57/687742557.db2.gz IQFKSESGTOWPIW-MRXNPFEDSA-N 0 3 316.832 2.486 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3n(c2)CCCC3)CC1 ZINC001017009263 687757581 /nfs/dbraw/zinc/75/75/81/687757581.db2.gz UPZXYCKZPQKPAC-QGZVFWFLSA-N 0 3 311.429 2.042 20 30 DEEDHN N#CCCCS(=O)(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000867793266 687792428 /nfs/dbraw/zinc/79/24/28/687792428.db2.gz GQHURDCDRGLIED-HNNXBMFYSA-N 0 3 313.467 2.007 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@@H]1CC ZINC001017609474 687923420 /nfs/dbraw/zinc/92/34/20/687923420.db2.gz QDLJCFPUZLBFDE-VVLHAWIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001018047114 688037607 /nfs/dbraw/zinc/03/76/07/688037607.db2.gz IKWPNWFIFVHKBZ-OIISXLGYSA-N 0 3 316.449 2.230 20 30 DEEDHN CC[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018528347 688166632 /nfs/dbraw/zinc/16/66/32/688166632.db2.gz VGFXRLATUHIGSK-DOMZBBRYSA-N 0 3 303.381 2.434 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)ccc1F ZINC001018818141 688239276 /nfs/dbraw/zinc/23/92/76/688239276.db2.gz BBCNLQUUJGNFAU-QWHCGFSZSA-N 0 3 323.318 2.043 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001020117500 688466615 /nfs/dbraw/zinc/46/66/15/688466615.db2.gz TWMBHXVGRJHWFH-XYPYZODXSA-N 0 3 312.211 2.082 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001020151239 688475129 /nfs/dbraw/zinc/47/51/29/688475129.db2.gz PXUXCFSWLDASEO-JOCQHMNTSA-N 0 3 308.813 2.211 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)c3cc[nH]c3)C2)c1 ZINC001020182336 688480360 /nfs/dbraw/zinc/48/03/60/688480360.db2.gz OEQQDEPFULVYSW-SHTZXODSSA-N 0 3 312.348 2.076 20 30 DEEDHN Cc1cccc(CO[C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000870134252 688493491 /nfs/dbraw/zinc/49/34/91/688493491.db2.gz LPBWFDHXGHDSHQ-GOEBONIOSA-N 0 3 314.385 2.231 20 30 DEEDHN CC(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000870224445 688516422 /nfs/dbraw/zinc/51/64/22/688516422.db2.gz FSORNUTUHSVVKY-WCQYABFASA-N 0 3 305.403 2.454 20 30 DEEDHN CC(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000870224443 688516500 /nfs/dbraw/zinc/51/65/00/688516500.db2.gz FSORNUTUHSVVKY-DGCLKSJQSA-N 0 3 305.403 2.454 20 30 DEEDHN CN(C)C(=O)[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000871929063 688896596 /nfs/dbraw/zinc/89/65/96/688896596.db2.gz QPFVIRKIQABAFA-MOPGFXCFSA-N 0 3 319.408 2.445 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602506 688960323 /nfs/dbraw/zinc/96/03/23/688960323.db2.gz FDUOVUOQDXZKGG-ZDUSSCGKSA-N 0 3 308.385 2.309 20 30 DEEDHN Cc1ccc(CN2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)c(C)c1 ZINC001031622882 688966456 /nfs/dbraw/zinc/96/64/56/688966456.db2.gz LURWROBQKCZSDF-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)C1 ZINC001031924257 689021737 /nfs/dbraw/zinc/02/17/37/689021737.db2.gz HYAZECUGMVAEDZ-STQMWFEESA-N 0 3 302.340 2.036 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCC1CN(CC[C@@H](C)F)C1 ZINC001032115336 689065703 /nfs/dbraw/zinc/06/57/03/689065703.db2.gz VYFFQHPDZLOUPF-CYBMUJFWSA-N 0 3 321.396 2.056 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001032216566 689085702 /nfs/dbraw/zinc/08/57/02/689085702.db2.gz JERZGSQZPBWWQZ-OAHLLOKOSA-N 0 3 302.805 2.051 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1ccnc1CC ZINC001032413085 689143687 /nfs/dbraw/zinc/14/36/87/689143687.db2.gz BDXUNTMFWZGONN-JYJNAYRXSA-N 0 3 316.449 2.258 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCn2nccc21 ZINC001032483591 689163106 /nfs/dbraw/zinc/16/31/06/689163106.db2.gz UBOAKEKRXTZONU-JYJNAYRXSA-N 0 3 314.433 2.012 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)C2)nc1 ZINC001032738234 689242515 /nfs/dbraw/zinc/24/25/15/689242515.db2.gz UBTUAOAOORNFFB-KMZOKZLKSA-N 0 3 309.413 2.008 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1cc(Cl)ccc1C ZINC000873497618 689258503 /nfs/dbraw/zinc/25/85/03/689258503.db2.gz NOAUZNBPMHHNCW-GFCCVEGCSA-N 0 3 306.749 2.038 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCOCC2 ZINC001032822147 689272145 /nfs/dbraw/zinc/27/21/45/689272145.db2.gz GDUWXSNVEIXYBJ-HRCADAONSA-N 0 3 304.434 2.054 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000930939255 694279112 /nfs/dbraw/zinc/27/91/12/694279112.db2.gz GFWGSMFDTLALAI-AWEZNQCLSA-N 0 3 301.390 2.257 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1sc(CCC)nc1C ZINC000930940713 694279435 /nfs/dbraw/zinc/27/94/35/694279435.db2.gz CJZKJGOLFLBKDG-UHFFFAOYSA-N 0 3 308.451 2.481 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cccc3cnccc32)C1 ZINC001033195865 689421250 /nfs/dbraw/zinc/42/12/50/689421250.db2.gz ROJYFXYRUOIVLX-SFHVURJKSA-N 0 3 321.424 2.333 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2coc(C(F)(F)F)n2)C1 ZINC001033234912 689433455 /nfs/dbraw/zinc/43/34/55/689433455.db2.gz OCKLSJMGHSFCEX-SNVBAGLBSA-N 0 3 317.311 2.416 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001033236454 689434827 /nfs/dbraw/zinc/43/48/27/689434827.db2.gz FGXBFWSZRLCDIQ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN CC#CCN1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001033242392 689436387 /nfs/dbraw/zinc/43/63/87/689436387.db2.gz JZADTAYBKCGSSP-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)nc(OC)c2)C1 ZINC001033365388 689477589 /nfs/dbraw/zinc/47/75/89/689477589.db2.gz FXXSWPWKUOLSIY-HNNXBMFYSA-N 0 3 303.406 2.121 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033369126 689479771 /nfs/dbraw/zinc/47/97/71/689479771.db2.gz FASOWYOIOKVVTL-LLVKDONJSA-N 0 3 310.319 2.274 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001033375981 689481602 /nfs/dbraw/zinc/48/16/02/689481602.db2.gz NXGCXHFINFGDIG-CQSZACIVSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1 ZINC000874828929 689504656 /nfs/dbraw/zinc/50/46/56/689504656.db2.gz YWFMFKYEJWAVRK-ZWKOTPCHSA-N 0 3 312.413 2.397 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001033510318 689525675 /nfs/dbraw/zinc/52/56/75/689525675.db2.gz VAOKYXJFRMPRCH-DOTOQJQBSA-N 0 3 312.413 2.109 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001033511213 689527103 /nfs/dbraw/zinc/52/71/03/689527103.db2.gz ZDPFKPHHXAEMBA-RHSMWYFYSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033564831 689544180 /nfs/dbraw/zinc/54/41/80/689544180.db2.gz ZTHLJMHKIGXIAJ-SFHVURJKSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001033666478 689577114 /nfs/dbraw/zinc/57/71/14/689577114.db2.gz DBFNNWLUSPNKLO-OAHLLOKOSA-N 0 3 316.449 2.116 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc(OC)c(Cl)c2)C1 ZINC001033685252 689583637 /nfs/dbraw/zinc/58/36/37/689583637.db2.gz PQNOKYMITQTINV-ZDUSSCGKSA-N 0 3 323.824 2.466 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001033832765 689630798 /nfs/dbraw/zinc/63/07/98/689630798.db2.gz LDTVHZZTBHQLJI-KRWDZBQOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN(C[C@H](C)OC)C1 ZINC001033856128 689640875 /nfs/dbraw/zinc/64/08/75/689640875.db2.gz RMNYGWMAZQZNGM-HOTGVXAUSA-N 0 3 319.449 2.245 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nc(C)sc2C)C1 ZINC001033870335 689645115 /nfs/dbraw/zinc/64/51/15/689645115.db2.gz HHTRGZLPSROIRC-AWEZNQCLSA-N 0 3 305.447 2.320 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnc(OC)c2)C1 ZINC001033877171 689647140 /nfs/dbraw/zinc/64/71/40/689647140.db2.gz CXVLCNMQLXSULR-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2scnc2COC)C1 ZINC001033982515 689683864 /nfs/dbraw/zinc/68/38/64/689683864.db2.gz SSJDXHPXRVCIJJ-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001034002900 689689480 /nfs/dbraw/zinc/68/94/80/689689480.db2.gz CMPXWCFIGDDODL-CQSZACIVSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCN(C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)C(C)(C)C ZINC000875826374 689701028 /nfs/dbraw/zinc/70/10/28/689701028.db2.gz QCACBDNJUNYAOD-CVEARBPZSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001034047068 689704754 /nfs/dbraw/zinc/70/47/54/689704754.db2.gz XZXNPUNPDMVYRD-HOCLYGCPSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001034047067 689705325 /nfs/dbraw/zinc/70/53/25/689705325.db2.gz XZXNPUNPDMVYRD-GOEBONIOSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034132270 689739960 /nfs/dbraw/zinc/73/99/60/689739960.db2.gz QOPHKHMWQBHZCW-ZDUSSCGKSA-N 0 3 310.829 2.363 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001034221021 689768344 /nfs/dbraw/zinc/76/83/44/689768344.db2.gz ITTRMISCHWGTTJ-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001034242512 689779096 /nfs/dbraw/zinc/77/90/96/689779096.db2.gz YBGMBFCSOLFDAP-OAHLLOKOSA-N 0 3 315.417 2.435 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001034253666 689783950 /nfs/dbraw/zinc/78/39/50/689783950.db2.gz KZSBJUWUBHGUFF-OAHLLOKOSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001034319216 689808210 /nfs/dbraw/zinc/80/82/10/689808210.db2.gz NWVSCTHXTWPNRS-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001034393023 689833680 /nfs/dbraw/zinc/83/36/80/689833680.db2.gz AFCKDAXJRRDHQN-AWEZNQCLSA-N 0 3 307.825 2.434 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001034411797 689839908 /nfs/dbraw/zinc/83/99/08/689839908.db2.gz WOVRVQGSNKXGHY-AWEZNQCLSA-N 0 3 302.422 2.448 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000876557945 689856036 /nfs/dbraw/zinc/85/60/36/689856036.db2.gz JFHUWQIDOYPEPW-CYBMUJFWSA-N 0 3 323.824 2.136 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCOc1ccccc1F ZINC000876568885 689860274 /nfs/dbraw/zinc/86/02/74/689860274.db2.gz MTZDTQXGTBDCOO-GFCCVEGCSA-N 0 3 300.761 2.133 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCOC)CCc1ccccc1 ZINC000876601224 689872339 /nfs/dbraw/zinc/87/23/39/689872339.db2.gz YMKGYKKKQFCJLG-HNNXBMFYSA-N 0 3 310.825 2.174 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1-c1nncn1CC ZINC000876603663 689872976 /nfs/dbraw/zinc/87/29/76/689872976.db2.gz ZTFJWHAIMKMJFX-GFCCVEGCSA-N 0 3 319.796 2.373 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001034534685 689889941 /nfs/dbraw/zinc/88/99/41/689889941.db2.gz ACGJNGHKEJQBAF-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034544783 689893543 /nfs/dbraw/zinc/89/35/43/689893543.db2.gz QZLRPXWEVLGIQT-CQSZACIVSA-N 0 3 305.447 2.368 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000876676384 689898349 /nfs/dbraw/zinc/89/83/49/689898349.db2.gz XRGVQYCPJFPLIK-KBPBESRZSA-N 0 3 310.781 2.263 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000876684236 689901595 /nfs/dbraw/zinc/90/15/95/689901595.db2.gz KDORQRQKVOLYBR-ZIAGYGMSSA-N 0 3 300.830 2.407 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000876693656 689905160 /nfs/dbraw/zinc/90/51/60/689905160.db2.gz GLZOXBMZWURBKY-CYBMUJFWSA-N 0 3 300.736 2.319 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)c2cnco2)CC1 ZINC001034702381 689929607 /nfs/dbraw/zinc/92/96/07/689929607.db2.gz OXVHUIWELOFMML-WKILWMFISA-N 0 3 324.384 2.377 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000876875992 689961683 /nfs/dbraw/zinc/96/16/83/689961683.db2.gz HCZUHUNEYNSIHT-GJZGRUSLSA-N 0 3 323.824 2.059 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000876900267 689968022 /nfs/dbraw/zinc/96/80/22/689968022.db2.gz HAIYHCCTSOMDPV-AVGNSLFASA-N 0 3 300.830 2.262 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)OC)sc1C ZINC000876985310 689990441 /nfs/dbraw/zinc/99/04/41/689990441.db2.gz YGAREDOVNAEWEZ-MRVPVSSYSA-N 0 3 302.783 2.252 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)c(F)c1 ZINC001035018037 690011351 /nfs/dbraw/zinc/01/13/51/690011351.db2.gz MDIRIEUFCXEFEM-MAZHCROVSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001035035196 690015976 /nfs/dbraw/zinc/01/59/76/690015976.db2.gz GQLIBYUAMUZGKR-WBVHZDCISA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000877348043 690084992 /nfs/dbraw/zinc/08/49/92/690084992.db2.gz AMXNSVUXJQOFAK-KBPBESRZSA-N 0 3 312.772 2.275 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000877384314 690096031 /nfs/dbraw/zinc/09/60/31/690096031.db2.gz XPBAIHBJDIFBNK-UTLUCORTSA-N 0 3 314.735 2.025 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1OCC[C@H]1CC)CC2 ZINC001035725321 690161666 /nfs/dbraw/zinc/16/16/66/690161666.db2.gz NKHIZHOCMAWGEK-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc[nH]c1C1CC1)CC2 ZINC001035777334 690173720 /nfs/dbraw/zinc/17/37/20/690173720.db2.gz BYOUJMVSFJTPFN-UHFFFAOYSA-N 0 3 311.429 2.453 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccncc1Cl)CC2 ZINC001035805806 690181196 /nfs/dbraw/zinc/18/11/96/690181196.db2.gz MKAZBYXQILGFEG-UHFFFAOYSA-N 0 3 317.820 2.296 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(OC)o1)CC2 ZINC001035821230 690185229 /nfs/dbraw/zinc/18/52/29/690185229.db2.gz UEFRMVFWCAINIX-UHFFFAOYSA-N 0 3 304.390 2.402 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cn(CC)cn1)CC2 ZINC001035836814 690189252 /nfs/dbraw/zinc/18/92/52/690189252.db2.gz JQHSAVNDGVUXRQ-UHFFFAOYSA-N 0 3 302.422 2.017 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccon2)CC[C@@H]1NCc1ccccc1C#N ZINC001035932350 690219897 /nfs/dbraw/zinc/21/98/97/690219897.db2.gz HGOZUGNKWTXQAU-CJNGLKHVSA-N 0 3 324.384 2.187 20 30 DEEDHN N#Cc1cccc(CNC[C@@H](O)Cc2cccc(Cl)c2)n1 ZINC000877811500 690238325 /nfs/dbraw/zinc/23/83/25/690238325.db2.gz LZQBAIDAPBFPLU-INIZCTEOSA-N 0 3 301.777 2.300 20 30 DEEDHN Cc1csc(CN[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001036031425 690240095 /nfs/dbraw/zinc/24/00/95/690240095.db2.gz VNGDPTFYRJSXEH-SWLSCSKDSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CC[C@@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000877942528 690266965 /nfs/dbraw/zinc/26/69/65/690266965.db2.gz IWEPIUBTJNSHFP-IXDOHACOSA-N 0 3 307.482 2.073 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001036429025 690348849 /nfs/dbraw/zinc/34/88/49/690348849.db2.gz SCSOFEISOCKMDD-GXTWGEPZSA-N 0 3 319.453 2.042 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](C)[C@H]1CO)c1ccccc1 ZINC000878485781 690422014 /nfs/dbraw/zinc/42/20/14/690422014.db2.gz RDYJFVJSTMQKBS-BMGDILEWSA-N 0 3 300.402 2.130 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(C)noc3C(F)F)CC[C@@H]21 ZINC001036744231 690456293 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1155886687 /nfs/dbraw/zinc/88/66/87/1155886687.db2.gz FINNFXQPOITZGQ-DLBZAZTESA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1ccncc1 ZINC001371700490 1155941216 /nfs/dbraw/zinc/94/12/16/1155941216.db2.gz OEWDYKDEFIILEH-NSHDSACASA-N 0 3 312.211 2.088 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(C)c(OC)c1 ZINC001372289192 1156343041 /nfs/dbraw/zinc/34/30/41/1156343041.db2.gz QXQCGFQSNZOKLY-AWEZNQCLSA-N 0 3 303.406 2.101 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccc1[O-])C[NH2+]Cc1ccccc1C#N ZINC001391870651 1156820402 /nfs/dbraw/zinc/82/04/02/1156820402.db2.gz GDMCWTCPWSIPGQ-CQSZACIVSA-N 0 3 323.396 2.420 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccn(C(F)F)n1)C(C)C ZINC001392216119 1156894575 /nfs/dbraw/zinc/89/45/75/1156894575.db2.gz HMOADICRQDJMMX-NSHDSACASA-N 0 3 320.771 2.375 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2nc[nH]c2n1)C(C)C ZINC001392223376 1156896955 /nfs/dbraw/zinc/89/69/55/1156896955.db2.gz HLDRLTZPFORSDJ-CYBMUJFWSA-N 0 3 321.812 2.054 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001392330091 1157024983 /nfs/dbraw/zinc/02/49/83/1157024983.db2.gz ATLUAFUTIOKFFY-AWEZNQCLSA-N 0 3 301.862 2.004 20 30 DEEDHN CC(C)C[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001373564639 1157096563 /nfs/dbraw/zinc/09/65/63/1157096563.db2.gz CLNPTYVVFBEUIH-BPUTZDHNSA-N 0 3 314.433 2.467 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001392649543 1157291347 /nfs/dbraw/zinc/29/13/47/1157291347.db2.gz PCSZKHMIQZOHFP-CYBMUJFWSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1nccs1 ZINC001392712132 1157364484 /nfs/dbraw/zinc/36/44/84/1157364484.db2.gz YYIUSXFMIFJHJB-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN CC(C)c1cccc(CNC[C@H](NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001392774976 1157402874 /nfs/dbraw/zinc/40/28/74/1157402874.db2.gz URBMIMRKQASKKD-DYVFJYSZSA-N 0 3 314.433 2.349 20 30 DEEDHN CCc1nc(C)c(CNC[C@@](C)(NC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001373874853 1157426224 /nfs/dbraw/zinc/42/62/24/1157426224.db2.gz MONIERCSCKKYBT-PIGZYNQJSA-N 0 3 318.421 2.080 20 30 DEEDHN Cc1ncccc1CN1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001393058781 1157640905 /nfs/dbraw/zinc/64/09/05/1157640905.db2.gz QESRTEWASPZDJW-ZDUSSCGKSA-N 0 3 300.406 2.020 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(C(C)C)c2)C1 ZINC001393906830 1158058430 /nfs/dbraw/zinc/05/84/30/1158058430.db2.gz LMNDHEXWYHIOQI-UHFFFAOYSA-N 0 3 310.829 2.315 20 30 DEEDHN C[C@@H](CNCc1cc(F)cc(F)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001374874909 1158068657 /nfs/dbraw/zinc/06/86/57/1158068657.db2.gz BWKOONVVOZJBTQ-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccsn1 ZINC001374904323 1158083824 /nfs/dbraw/zinc/08/38/24/1158083824.db2.gz DKJNNUOJZAGTSE-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cccc(=O)[nH]1 ZINC001394015941 1158165687 /nfs/dbraw/zinc/16/56/87/1158165687.db2.gz IMKDOMQYXYHTBS-UHFFFAOYSA-N 0 3 311.813 2.228 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)CC3CC3)CC2)cc1F ZINC001375378013 1158554682 /nfs/dbraw/zinc/55/46/82/1158554682.db2.gz AJKMPAHKNSBRPE-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)CC(F)(F)F)CC2)c1 ZINC001375395774 1158566456 /nfs/dbraw/zinc/56/64/56/1158566456.db2.gz QASWMBRUKBXKFH-UHFFFAOYSA-N 0 3 311.307 2.249 20 30 DEEDHN COCCN(CCNC(=O)[C@@H](C)C#N)[C@H](C)c1cccc(C)c1 ZINC001394830312 1158806241 /nfs/dbraw/zinc/80/62/41/1158806241.db2.gz SGSLDQFHGNGSIE-JKSUJKDBSA-N 0 3 317.433 2.280 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cn2ccnc2C(C)C)C1 ZINC001375541161 1158807026 /nfs/dbraw/zinc/80/70/26/1158807026.db2.gz CQTCWDYXBXHJEX-HDJSIYSDSA-N 0 3 324.856 2.243 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1ccccc1F ZINC001403547896 1162989404 /nfs/dbraw/zinc/98/94/04/1162989404.db2.gz HLVLHQGQKOKUDT-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cc(F)c[nH]1)NCc1ccc(C#N)s1 ZINC001403585605 1163022521 /nfs/dbraw/zinc/02/25/21/1163022521.db2.gz SIESIRIZRZFGEK-SNVBAGLBSA-N 0 3 320.393 2.337 20 30 DEEDHN COCCC1(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001376735474 1159741741 /nfs/dbraw/zinc/74/17/41/1159741741.db2.gz BSAZNFYIJQZCMV-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001376879589 1159831077 /nfs/dbraw/zinc/83/10/77/1159831077.db2.gz KWQJEVIHTADRDR-ZFWWWQNUSA-N 0 3 303.381 2.456 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1COc2ccccc2C1 ZINC001377048694 1159885133 /nfs/dbraw/zinc/88/51/33/1159885133.db2.gz PZONDSAEKGIUDG-HIFRSBDPSA-N 0 3 322.836 2.475 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C2(C)CC2)C1 ZINC001397122146 1160003140 /nfs/dbraw/zinc/00/31/40/1160003140.db2.gz MLTUFTRNHPREJS-XYPYZODXSA-N 0 3 301.228 2.180 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@H](C)CC)CCOCC1 ZINC001377186377 1160020366 /nfs/dbraw/zinc/02/03/66/1160020366.db2.gz CZTYZUAEQYOEEP-GFCCVEGCSA-N 0 3 302.846 2.430 20 30 DEEDHN CCN(CCNC(=O)c1ncoc1C)Cc1ccc(C#N)cc1 ZINC001377295215 1160158448 /nfs/dbraw/zinc/15/84/48/1160158448.db2.gz SHPZVUVRUARGQK-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](OC)[C@@H](C)CC)C1 ZINC001397604574 1160358517 /nfs/dbraw/zinc/35/85/17/1160358517.db2.gz IAOUUZNYIBUPAQ-SCUASFONSA-N 0 3 302.846 2.284 20 30 DEEDHN Cc1nocc1CN1CC[C@H](NC(=O)[C@H](C)C#N)CC(C)(C)C1 ZINC001397815795 1160538320 /nfs/dbraw/zinc/53/83/20/1160538320.db2.gz RWSLDQZTBLUKLH-DOMZBBRYSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3n[nH]cc32)C1 ZINC001377710219 1160764893 /nfs/dbraw/zinc/76/48/93/1160764893.db2.gz FZJJRPBDCZGZFR-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ncc(F)cc1F ZINC001399378504 1161369865 /nfs/dbraw/zinc/36/98/65/1161369865.db2.gz SPUMZAJTLZJCOZ-SECBINFHSA-N 0 3 303.740 2.210 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2ncn(C)c21 ZINC001399378541 1161369882 /nfs/dbraw/zinc/36/98/82/1161369882.db2.gz PAZPHWORHPAUKX-GFCCVEGCSA-N 0 3 320.824 2.424 20 30 DEEDHN CCN(CCNC(=O)CCn1cccc1)Cc1cccc(C#N)c1 ZINC001399785434 1161562969 /nfs/dbraw/zinc/56/29/69/1161562969.db2.gz JKALLNBWNZQILV-UHFFFAOYSA-N 0 3 324.428 2.388 20 30 DEEDHN CCC(=O)N[C@](C)(CNCc1cc(C#N)ccc1F)C1CC1 ZINC001400967000 1161853246 /nfs/dbraw/zinc/85/32/46/1161853246.db2.gz FNTARNONNHFONY-QGZVFWFLSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001401069002 1161866417 /nfs/dbraw/zinc/86/64/17/1161866417.db2.gz DFMSYEQUHSMFJL-CJNGLKHVSA-N 0 3 324.856 2.461 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)C(C)(F)F ZINC001401195213 1161891288 /nfs/dbraw/zinc/89/12/88/1161891288.db2.gz CYCROFUFWCSTPX-VIFPVBQESA-N 0 3 301.362 2.211 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1[nH]cnc1C ZINC001402040521 1162224613 /nfs/dbraw/zinc/22/46/13/1162224613.db2.gz LXQZKAOFXFCRQU-AAEUAGOBSA-N 0 3 310.829 2.443 20 30 DEEDHN CCN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccc(C#N)cc1 ZINC001403846169 1163248424 /nfs/dbraw/zinc/24/84/24/1163248424.db2.gz QUZLCEDIYNVSLP-UHFFFAOYSA-N 0 3 321.384 2.010 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccn(C)n2)CCCC[C@@H]1C ZINC001405453914 1164099574 /nfs/dbraw/zinc/09/95/74/1164099574.db2.gz CYBAODYRNAXSSL-BLLLJJGKSA-N 0 3 324.856 2.441 20 30 DEEDHN Cc1cccnc1CNC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N ZINC001405925474 1164338713 /nfs/dbraw/zinc/33/87/13/1164338713.db2.gz IRRHMFBWCSNQET-HUUCEWRRSA-N 0 3 302.422 2.170 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CCc1ccco1 ZINC001406449571 1164611164 /nfs/dbraw/zinc/61/11/64/1164611164.db2.gz NBVUIUSHGFHKBL-LBPRGKRZSA-N 0 3 317.414 2.440 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CN(C)CCc1c(F)cccc1F ZINC001406590794 1164708093 /nfs/dbraw/zinc/70/80/93/1164708093.db2.gz RYNAEJLJIYZEKS-NEPJUHHUSA-N 0 3 309.360 2.103 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)CCCC(C)=O)[C@H](C)C1 ZINC001407093222 1164967080 /nfs/dbraw/zinc/96/70/80/1164967080.db2.gz RPWMOHDZAFWHCI-OCCSQVGLSA-N 0 3 300.830 2.467 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001417780966 1167209500 /nfs/dbraw/zinc/20/95/00/1167209500.db2.gz HZSYBDHPJAMNEY-YRGRVCCFSA-N 0 3 305.809 2.484 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)CCCF)C2)c1 ZINC001418061899 1167389630 /nfs/dbraw/zinc/38/96/30/1167389630.db2.gz AQTDOUUGXGZNSM-HDJSIYSDSA-N 0 3 307.344 2.184 20 30 DEEDHN CCOCC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001418358743 1167595224 /nfs/dbraw/zinc/59/52/24/1167595224.db2.gz QWSRLHZPYPSNSW-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN CC[C@@H](CNC(=O)c1nocc1C)NCc1ccc(C#N)s1 ZINC001419258047 1168353000 /nfs/dbraw/zinc/35/30/00/1168353000.db2.gz TWIYCFRLWBRVOT-NSHDSACASA-N 0 3 318.402 2.214 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001419278745 1168369770 /nfs/dbraw/zinc/36/97/70/1168369770.db2.gz NXXFKFQFIGFSHX-ZIAGYGMSSA-N 0 3 309.410 2.352 20 30 DEEDHN CCc1noc(C)c1CNC[C@@](C)(NC(=O)[C@@H](C)C#N)C1CC1 ZINC001419332883 1168407052 /nfs/dbraw/zinc/40/70/52/1168407052.db2.gz HQKFGIBDEQJUQD-APPDUMDISA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNCc1ccc(CNC(=O)CN2CCCC2)cc1 ZINC001419392443 1168441960 /nfs/dbraw/zinc/44/19/60/1168441960.db2.gz RLLUJNARVGKSRE-UHFFFAOYSA-N 0 3 321.852 2.241 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1cccnc1)C(C)C ZINC001419884740 1168890782 /nfs/dbraw/zinc/89/07/82/1168890782.db2.gz AGQTVQKQNDEYHS-OAHLLOKOSA-N 0 3 309.841 2.497 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(C)[nH]c1=O)C(C)C ZINC001419928229 1168947244 /nfs/dbraw/zinc/94/72/44/1168947244.db2.gz XDRKSPBYVUUJJD-CYBMUJFWSA-N 0 3 311.813 2.192 20 30 DEEDHN CN1C[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C(C)(C)C1 ZINC001420005882 1169055216 /nfs/dbraw/zinc/05/52/16/1169055216.db2.gz BDUFEHBDFMLYOI-OAHLLOKOSA-N 0 3 315.392 2.185 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)SC)NCc1ccc(C#N)c(F)c1 ZINC001421389016 1171764867 /nfs/dbraw/zinc/76/48/67/1171764867.db2.gz DDFVZBIPNYRYQA-RISCZKNCSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccnn2CC)CCCC1 ZINC001421816224 1172011612 /nfs/dbraw/zinc/01/16/12/1172011612.db2.gz AUDPDCVILCSNQG-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1c(C)n[nH]c1C)C(C)C ZINC001422133917 1172330539 /nfs/dbraw/zinc/33/05/39/1172330539.db2.gz RHOMWCXJXGWSTB-CQSZACIVSA-N 0 3 312.845 2.052 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccccc2OC)C1 ZINC001422275899 1172453538 /nfs/dbraw/zinc/45/35/38/1172453538.db2.gz NKWSYRANHNGCTP-UHFFFAOYSA-N 0 3 322.836 2.475 20 30 DEEDHN Cc1ccc(CC(=O)N[C@H](C)CNCc2ccc(C#N)s2)o1 ZINC001422479550 1172629549 /nfs/dbraw/zinc/62/95/49/1172629549.db2.gz BCGBFWLNCLYWPL-LLVKDONJSA-N 0 3 317.414 2.358 20 30 DEEDHN CC[C@@H](F)CN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC001423397026 1173330259 /nfs/dbraw/zinc/33/02/59/1173330259.db2.gz YQGNMRHRLZNOQF-TZMCWYRMSA-N 0 3 306.385 2.075 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(CCCc2ccsc2)C1 ZINC001423573727 1173419723 /nfs/dbraw/zinc/41/97/23/1173419723.db2.gz VVICKDIURBRZGQ-BBRMVZONSA-N 0 3 305.447 2.421 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccnn1CC(C)C ZINC001424575121 1173838533 /nfs/dbraw/zinc/83/85/33/1173838533.db2.gz AMUYTILERLKWSC-ZDUSSCGKSA-N 0 3 312.845 2.390 20 30 DEEDHN Cc1ncoc1C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001425547189 1174364979 /nfs/dbraw/zinc/36/49/79/1174364979.db2.gz OYRJJPYOGIWGRY-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C2(C)CCC2)cc1C#N ZINC001437184626 1179525162 /nfs/dbraw/zinc/52/51/62/1179525162.db2.gz HAPQNXOEXMPNDR-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)CC(C)(F)F ZINC001437406125 1179791375 /nfs/dbraw/zinc/79/13/75/1179791375.db2.gz YUDIZQYQOGCBQQ-SECBINFHSA-N 0 3 313.186 2.425 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CC[C@@H]1CCOC1)C(C)C ZINC001438804610 1180817747 /nfs/dbraw/zinc/81/77/47/1180817747.db2.gz PXXIEILCAWJTOH-KGLIPLIRSA-N 0 3 302.846 2.286 20 30 DEEDHN COc1cc(CN(C)C[C@H](C)NC(=O)[C@@H](C)C#N)ccc1Cl ZINC001439314297 1181013996 /nfs/dbraw/zinc/01/39/96/1181013996.db2.gz QDKYNRDBMIQARY-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC001440397737 1181482562 /nfs/dbraw/zinc/48/25/62/1181482562.db2.gz WKGALXPHUFWULN-ZDUSSCGKSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H](C)COC)C1 ZINC001440403635 1181487268 /nfs/dbraw/zinc/48/72/68/1181487268.db2.gz FJIQBPHIJKIAPE-FPMFFAJLSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC001440494034 1181559931 /nfs/dbraw/zinc/55/99/31/1181559931.db2.gz PLYZENIRHJVYFQ-ZENOOKHLSA-N 0 3 310.401 2.407 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(C#N)s2)co1 ZINC001440776494 1181685495 /nfs/dbraw/zinc/68/54/95/1181685495.db2.gz GFQBLNRUZXCPTJ-UWVGGRQHSA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)c1ccc[nH]1 ZINC001440791918 1181695913 /nfs/dbraw/zinc/69/59/13/1181695913.db2.gz SKJZDUCLAQPQTM-RYUDHWBXSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)[C@@H](C)OC ZINC001440880231 1181740830 /nfs/dbraw/zinc/74/08/30/1181740830.db2.gz QAXGMXZJSCBBIS-LLVKDONJSA-N 0 3 321.259 2.004 20 30 DEEDHN COc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)c1C ZINC001440910685 1181761708 /nfs/dbraw/zinc/76/17/08/1181761708.db2.gz HYKAJPGYFGJFPV-QWHCGFSZSA-N 0 3 303.406 2.100 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)CCc1c(F)cccc1F ZINC001440916944 1181772292 /nfs/dbraw/zinc/77/22/92/1181772292.db2.gz REANVRXFNMZRMP-VXGBXAGGSA-N 0 3 309.360 2.103 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001440949565 1181791737 /nfs/dbraw/zinc/79/17/37/1181791737.db2.gz CFLRJKYOKWMDML-CZUORRHYSA-N 0 3 305.397 2.489 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2=CCOCC2)CCCCC1 ZINC001441097828 1181846206 /nfs/dbraw/zinc/84/62/06/1181846206.db2.gz IJBFLBZOEPLQFE-UHFFFAOYSA-N 0 3 312.841 2.494 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H](CNC(=O)[C@H](C)C#N)C1CC1 ZINC001441175492 1181884387 /nfs/dbraw/zinc/88/43/87/1181884387.db2.gz NMKUAVJCVSRSLY-CJNGLKHVSA-N 0 3 315.417 2.148 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccccn1)NCc1ccc(C#N)s1 ZINC001441481552 1182015300 /nfs/dbraw/zinc/01/53/00/1182015300.db2.gz WMMLUTXVOWPVBG-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@H](CCNC(=O)[C@H]1CC12CC2)NCc1cc(C#N)ccc1F ZINC001442311055 1182414978 /nfs/dbraw/zinc/41/49/78/1182414978.db2.gz NGZYSNQQLKCSDR-IUODEOHRSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccns1 ZINC001444617110 1183485997 /nfs/dbraw/zinc/48/59/97/1183485997.db2.gz ULZRCTPPKJJVIE-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H]1CCCOC1)C(C)C ZINC001444930410 1183652986 /nfs/dbraw/zinc/65/29/86/1183652986.db2.gz LAUKHHFYADESTI-KBPBESRZSA-N 0 3 302.846 2.286 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)[C@H]3CC3(F)F)CC2)ccc1F ZINC001446163282 1184255436 /nfs/dbraw/zinc/25/54/36/1184255436.db2.gz SDHHKZMIURIDFW-GFCCVEGCSA-N 0 3 323.318 2.091 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ncccc3F)CC2)cc1 ZINC001446255848 1184286494 /nfs/dbraw/zinc/28/64/94/1184286494.db2.gz AAKALMFQRWMTBZ-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H](C)NC(=O)C1(C)CC1 ZINC001447852729 1184897064 /nfs/dbraw/zinc/89/70/64/1184897064.db2.gz KQXWJUKKWSFRID-CHWSQXEVSA-N 0 3 315.417 2.350 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](C)n1cccn1 ZINC001447944190 1184970054 /nfs/dbraw/zinc/97/00/54/1184970054.db2.gz KWDHNFNWKWPXCY-ZDUSSCGKSA-N 0 3 312.845 2.271 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2n[nH]cc2C)CCCCC1 ZINC001448220772 1185119292 /nfs/dbraw/zinc/11/92/92/1185119292.db2.gz KXLVYRHIIUWWCP-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(NC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001449005490 1185480500 /nfs/dbraw/zinc/48/05/00/1185480500.db2.gz FFTJXMRLAYFLHZ-LZWOXQAQSA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCNC(=O)c1cccnc1N1CCN(C2CCCC2)CC1 ZINC001165032289 721859405 /nfs/dbraw/zinc/85/94/05/721859405.db2.gz PRDZTIJLNDLVSX-UHFFFAOYSA-N 0 3 314.433 2.062 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001370501273 1149801189 /nfs/dbraw/zinc/80/11/89/1149801189.db2.gz IKKKAXNIQMRCCL-IIAWOOMASA-N 0 3 321.371 2.428 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001370565513 1149810829 /nfs/dbraw/zinc/81/08/29/1149810829.db2.gz NXRPAJOMYMCIAW-IHRRRGAJSA-N 0 3 308.809 2.443 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NC/C=C\Cl)C[C@@H]2C)cn1 ZINC001332047088 1149812780 /nfs/dbraw/zinc/81/27/80/1149812780.db2.gz IJGFTLRSAZYJCI-QRVLNNQLSA-N 0 3 303.793 2.008 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn4c3ccc(C)c4C)C2)C1 ZINC001072827408 790262662 /nfs/dbraw/zinc/26/26/62/790262662.db2.gz GVYITEIVIRNFGD-UHFFFAOYSA-N 0 3 324.428 2.285 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001332261021 1149841335 /nfs/dbraw/zinc/84/13/35/1149841335.db2.gz LUAYHPASVXRJEN-HUUCEWRRSA-N 0 3 317.433 2.407 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](CNCc2cc(OC)no2)[C@H](C)C1 ZINC001106194271 782491710 /nfs/dbraw/zinc/49/17/10/782491710.db2.gz GLDMWIBSWQNNDY-ZIAGYGMSSA-N 0 3 321.421 2.224 20 30 DEEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000176539557 782520879 /nfs/dbraw/zinc/52/08/79/782520879.db2.gz BBMAOIHCBKYHMD-OAHLLOKOSA-N 0 3 300.358 2.377 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3c(F)cccc3F)C2)C1 ZINC001072926095 790306658 /nfs/dbraw/zinc/30/66/58/790306658.db2.gz FRKDQEJHQHQBMI-UHFFFAOYSA-N 0 3 306.356 2.228 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](CNCc1ccnn1C)C(C)(C)C ZINC001332785061 1149891766 /nfs/dbraw/zinc/89/17/66/1149891766.db2.gz DXLBMNVUTZFPOK-INIZCTEOSA-N 0 3 318.465 2.234 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)C(F)(F)F)CC2)CC1 ZINC001333181258 1150012113 /nfs/dbraw/zinc/01/21/13/1150012113.db2.gz WFYOKMIFSUXOHN-NSHDSACASA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106709081 782877842 /nfs/dbraw/zinc/87/78/42/782877842.db2.gz SXCCRICEIWJTBE-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCOc1ccc(-c2noc([C@@H]3CNCCN3C)n2)c(F)c1 ZINC001212224217 783046611 /nfs/dbraw/zinc/04/66/11/783046611.db2.gz CZMBOEOFWBSJFZ-AWEZNQCLSA-N 0 3 318.352 2.017 20 30 DEEDHN CN1CCNC[C@@H]1c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212224716 783047193 /nfs/dbraw/zinc/04/71/93/783047193.db2.gz VWWQEJJURKTMNA-MRXNPFEDSA-N 0 3 319.368 2.338 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)C2 ZINC001095764854 783084684 /nfs/dbraw/zinc/08/46/84/783084684.db2.gz XSYSTEOFFBXJQD-MDZLAQPJSA-N 0 3 324.375 2.269 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3c[nH]nc32)CC(C)(C)C1 ZINC001089456846 783122403 /nfs/dbraw/zinc/12/24/03/783122403.db2.gz MTQMIMJAQAHSTC-OAHLLOKOSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC000947478352 783148183 /nfs/dbraw/zinc/14/81/83/783148183.db2.gz CRQBISFKNTXNKE-HOCLYGCPSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccn(C(C)C)n2)CC(C)(C)C1 ZINC001089510646 783173647 /nfs/dbraw/zinc/17/36/47/783173647.db2.gz ZIBSOHWCWQEISV-HNNXBMFYSA-N 0 3 316.449 2.318 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)C[C@H]1C ZINC000947575439 783179059 /nfs/dbraw/zinc/17/90/59/783179059.db2.gz ASFRIYXWWGYFCC-KGLIPLIRSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)C[C@@H]1C ZINC000947601483 783185943 /nfs/dbraw/zinc/18/59/43/783185943.db2.gz DIKADUJOLACSTA-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C[C@@H]1C ZINC000947663903 783200706 /nfs/dbraw/zinc/20/07/06/783200706.db2.gz ZPHKDZULYHVQHA-XJKSGUPXSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2csc(C)n2)CC(C)(C)C1 ZINC001089556998 783203883 /nfs/dbraw/zinc/20/38/83/783203883.db2.gz XEKOQWJSXYKJIC-AWEZNQCLSA-N 0 3 319.474 2.234 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2noc3c2CCCC3)C[C@@H]1C ZINC000947746775 783220017 /nfs/dbraw/zinc/22/00/17/783220017.db2.gz QYOVEQZRYQVKPK-STQMWFEESA-N 0 3 303.406 2.322 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc(C3CC3)n2)C[C@@H]1C ZINC000947768172 783228094 /nfs/dbraw/zinc/22/80/94/783228094.db2.gz VJMKYXWKHRCFSO-GXTWGEPZSA-N 0 3 300.406 2.123 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(OCC)c3)C2)C1 ZINC001073016005 790387161 /nfs/dbraw/zinc/38/71/61/790387161.db2.gz DTFAYZRUHCZKEN-UHFFFAOYSA-N 0 3 300.402 2.419 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccc(CC)cc3)C2)C1 ZINC001073021730 790392724 /nfs/dbraw/zinc/39/27/24/790392724.db2.gz LLKMFOWZEHUYIJ-UHFFFAOYSA-N 0 3 310.441 2.349 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)C2)C1 ZINC001073026933 790400745 /nfs/dbraw/zinc/40/07/45/790400745.db2.gz TZKLANIFFUGCTN-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)Cc3ccco3)C2)C1 ZINC001073053881 790420100 /nfs/dbraw/zinc/42/01/00/790420100.db2.gz YKEBWVJSLOSXEV-OAHLLOKOSA-N 0 3 300.402 2.016 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)[C@@H](O)C1 ZINC001090648367 790417619 /nfs/dbraw/zinc/41/76/19/790417619.db2.gz WVFIJQLBQUKQJM-GJZGRUSLSA-N 0 3 324.371 2.365 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(-n4cccc4)nc3)C2)C1 ZINC001073065122 790426848 /nfs/dbraw/zinc/42/68/48/790426848.db2.gz ZBVKVWHTQZACOA-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H](O)C1 ZINC001090678024 790438967 /nfs/dbraw/zinc/43/89/67/790438967.db2.gz DFXPTEMOZRMZSO-XSLAGTTESA-N 0 3 320.477 2.024 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001207950286 776537203 /nfs/dbraw/zinc/53/72/03/776537203.db2.gz JLVPVQRNMOKDOP-SMDDNHRTSA-N 0 3 321.248 2.213 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)s2)[C@@H](O)C1 ZINC001090726575 790464126 /nfs/dbraw/zinc/46/41/26/790464126.db2.gz XCZVMXPCJWEGDH-KBPBESRZSA-N 0 3 320.458 2.367 20 30 DEEDHN N#Cc1ccc(CCN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1 ZINC001208926299 776640169 /nfs/dbraw/zinc/64/01/69/776640169.db2.gz DXXDZRNEHBLQGX-IPMKNSEASA-N 0 3 312.413 2.227 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)[C@H]2CCCO2)CC1 ZINC001167111507 776688178 /nfs/dbraw/zinc/68/81/78/776688178.db2.gz KNHDYRUGGIFWMV-UONOGXRCSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)c(OC)c1 ZINC001167193267 776760066 /nfs/dbraw/zinc/76/00/66/776760066.db2.gz SEIOMTLDAUWODX-UHFFFAOYSA-N 0 3 300.761 2.296 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3sc(C)cc3C)C2)C1 ZINC001073154928 790492149 /nfs/dbraw/zinc/49/21/49/790492149.db2.gz IOXZAZSNQYPOKN-UHFFFAOYSA-N 0 3 316.470 2.465 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cn2c(C)nc3ccccc32)C1 ZINC000971522898 777131060 /nfs/dbraw/zinc/13/10/60/777131060.db2.gz PSBFYXZOILVJDU-OAHLLOKOSA-N 0 3 312.417 2.063 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C)c2C)[C@@H](O)C1 ZINC001090772858 790511683 /nfs/dbraw/zinc/51/16/83/790511683.db2.gz BLSLJLBGQMASEW-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(C)CC[NH2+]CCCNC(=O)c1nnc2ccccc2c1[O-] ZINC001167490999 777197029 /nfs/dbraw/zinc/19/70/29/777197029.db2.gz CBGDJDPADYSPDH-UHFFFAOYSA-N 0 3 314.389 2.011 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)[C@H]21 ZINC001087278541 777702695 /nfs/dbraw/zinc/70/26/95/777702695.db2.gz JNZFTDPYPBOBTB-IKGGRYGDSA-N 0 3 324.428 2.128 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(C)sn3)C(C)(C)[C@H]21 ZINC001087281247 777710941 /nfs/dbraw/zinc/71/09/41/777710941.db2.gz DOHHMRIKWHQDRR-SNPRPXQTSA-N 0 3 317.458 2.304 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccsn1 ZINC001087291238 777738405 /nfs/dbraw/zinc/73/84/05/777738405.db2.gz QOBVHRHYGZXDGS-VHDGCEQUSA-N 0 3 317.458 2.385 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC1(C)C)C[C@H](C)O2 ZINC001098589640 777746150 /nfs/dbraw/zinc/74/61/50/777746150.db2.gz KMRZTMQPPNQLDT-GJZGRUSLSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3nc(C)oc3C)C(C)(C)[C@@H]21 ZINC001087309694 777768522 /nfs/dbraw/zinc/76/85/22/777768522.db2.gz KNWFZGFYVXYAHO-FVQBIDKESA-N 0 3 315.417 2.143 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3oncc3C)C(C)(C)[C@@H]21 ZINC001087310930 777770800 /nfs/dbraw/zinc/77/08/00/777770800.db2.gz FTPDSJVISJHKHD-FVQBIDKESA-N 0 3 315.417 2.225 20 30 DEEDHN O=C(C#CC1CC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001087357896 777876121 /nfs/dbraw/zinc/87/61/21/777876121.db2.gz YOIYZLOTIAJVJO-QAIGKIKRSA-N 0 3 318.848 2.321 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cccc2)C1 ZINC001111999739 777943028 /nfs/dbraw/zinc/94/30/28/777943028.db2.gz YRUPYHNYAFFNBF-HKUYNNGSSA-N 0 3 313.445 2.262 20 30 DEEDHN C=CCCCC(=O)N1CC(n2cc(CNC[C@H](C)CC)nn2)C1 ZINC001105317306 778442341 /nfs/dbraw/zinc/44/23/41/778442341.db2.gz RPMFCXHZVLJVDL-CQSZACIVSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)CCCC=C)C2)nn1 ZINC001105316986 778442595 /nfs/dbraw/zinc/44/25/95/778442595.db2.gz CEOFVVPEHQWVKG-UHFFFAOYSA-N 0 3 317.437 2.074 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC)c(OC)c3)C2)C1 ZINC001073398334 790635405 /nfs/dbraw/zinc/63/54/05/790635405.db2.gz FXRRAPHYPZMNSV-UHFFFAOYSA-N 0 3 316.401 2.038 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCN(C(=O)CCC=C)C2)nn1 ZINC001098632175 778639618 /nfs/dbraw/zinc/63/96/18/778639618.db2.gz AGWLFHRNBLMKNR-INIZCTEOSA-N 0 3 317.437 2.074 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](n2cc(CNCCC(C)C)nn2)C1 ZINC001098634411 778674570 /nfs/dbraw/zinc/67/45/70/778674570.db2.gz RRUYWDQKERWBGN-MRXNPFEDSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001207636675 778746380 /nfs/dbraw/zinc/74/63/80/778746380.db2.gz WUGHQRCVSCSHOY-INIZCTEOSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001126365640 778839640 /nfs/dbraw/zinc/83/96/40/778839640.db2.gz MIDFQGZTVJJBMT-SFHVURJKSA-N 0 3 319.449 2.046 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1C(F)(F)F ZINC001112133153 779026146 /nfs/dbraw/zinc/02/61/46/779026146.db2.gz CHIWJBFWQXFSAX-NXEZZACHSA-N 0 3 312.282 2.034 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001167997938 779233557 /nfs/dbraw/zinc/23/35/57/779233557.db2.gz KZXMPZVHLXHFLV-NWDGAFQWSA-N 0 3 301.228 2.037 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2F)[C@H]1CC ZINC001087581134 779362739 /nfs/dbraw/zinc/36/27/39/779362739.db2.gz QZSGVSVOQPNZIK-DLBZAZTESA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nccc3cccnc32)[C@H]1CC ZINC001087606438 779376192 /nfs/dbraw/zinc/37/61/92/779376192.db2.gz XQYFZEUUNMXHGX-LSDHHAIUSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H]1CC ZINC001087622151 779382873 /nfs/dbraw/zinc/38/28/73/779382873.db2.gz XUOBEOHULRMRJQ-GOEBONIOSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)[C@H]1CC ZINC001087632422 779385637 /nfs/dbraw/zinc/38/56/37/779385637.db2.gz BEGSEDRWCNUKAQ-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cc(=O)oc2C)[C@H]1CC ZINC001087649891 779396685 /nfs/dbraw/zinc/39/66/85/779396685.db2.gz MXAHERQLLDLNCU-UONOGXRCSA-N 0 3 304.390 2.025 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)noc2CC)[C@H]1CC ZINC001087824803 779469649 /nfs/dbraw/zinc/46/96/49/779469649.db2.gz XRAGEJRZDKVCID-UONOGXRCSA-N 0 3 303.406 2.151 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCCC3)[C@H]1CC ZINC001087830081 779473674 /nfs/dbraw/zinc/47/36/74/779473674.db2.gz LOQYLFMENZANCY-JKSUJKDBSA-N 0 3 316.449 2.447 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(N(C)C)ccn2)[C@H]1CC ZINC001087846100 779482131 /nfs/dbraw/zinc/48/21/31/779482131.db2.gz IJMZNSFLJJQNPI-DOTOQJQBSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001073535031 790715292 /nfs/dbraw/zinc/71/52/92/790715292.db2.gz AVTBZEMHKPTUAQ-LBPRGKRZSA-N 0 3 312.797 2.330 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3occc3CC)C[C@@H]2C1 ZINC001088094612 779698049 /nfs/dbraw/zinc/69/80/49/779698049.db2.gz UQFOUOYPKWDYQH-CVEARBPZSA-N 0 3 300.402 2.259 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn(CC(C)C)n3)[C@@H]2C1 ZINC001075843806 779745736 /nfs/dbraw/zinc/74/57/36/779745736.db2.gz CSFSKHNJHXHFJG-DOTOQJQBSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)c3ccoc3)CC2)C1 ZINC001088227122 779782915 /nfs/dbraw/zinc/78/29/15/779782915.db2.gz GMLCVTQXTFYZHV-KRWDZBQOSA-N 0 3 318.417 2.409 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)CCC)CC2)C1 ZINC001088227261 779782975 /nfs/dbraw/zinc/78/29/75/779782975.db2.gz KBFRMQJRFBCIOX-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001088234483 779790091 /nfs/dbraw/zinc/79/00/91/779790091.db2.gz SWFRXFGHHFKLOS-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN CCc1[nH]ccc1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001126614213 779867468 /nfs/dbraw/zinc/86/74/68/779867468.db2.gz NTAKATNOTLIUTE-UHFFFAOYSA-N 0 3 314.364 2.107 20 30 DEEDHN Cc1cc(CN[C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)sn1 ZINC001088281367 779903099 /nfs/dbraw/zinc/90/30/99/779903099.db2.gz LXQYFZRIOCNBFS-GXTWGEPZSA-N 0 3 320.462 2.472 20 30 DEEDHN COC[C@H]1COCCC12CCN(Cc1cncc(C#N)c1)CC2 ZINC001144080643 790746588 /nfs/dbraw/zinc/74/65/88/790746588.db2.gz UHDMMNOLKCVXPX-KRWDZBQOSA-N 0 3 315.417 2.218 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2n[nH]cc2C)C1 ZINC001088311808 779935642 /nfs/dbraw/zinc/93/56/42/779935642.db2.gz HHIFYZUXBKXTGE-ZDUSSCGKSA-N 0 3 310.829 2.445 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCCCC[C@@H](NCCF)C2)c1 ZINC001088378860 780044708 /nfs/dbraw/zinc/04/47/08/780044708.db2.gz UPAKXAAMHJNLAR-MRXNPFEDSA-N 0 3 303.381 2.007 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCCC[C@H](NCCF)C2)cn1 ZINC001088415577 780089936 /nfs/dbraw/zinc/08/99/36/780089936.db2.gz NJVNAAGVJBNJTM-INIZCTEOSA-N 0 3 303.381 2.007 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCO[C@@H](C)C1 ZINC001168128354 780181518 /nfs/dbraw/zinc/18/15/18/780181518.db2.gz PRPZUAKOBJGYHO-OFQRWUPVSA-N 0 3 305.422 2.089 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)SC)[C@H](OC)C1 ZINC001211911342 780326212 /nfs/dbraw/zinc/32/62/12/780326212.db2.gz FILGYWNAXBBEPF-RRFJBIMHSA-N 0 3 314.495 2.300 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2sccc2F)s1 ZINC001126702396 780435767 /nfs/dbraw/zinc/43/57/67/780435767.db2.gz JASMAKYKWJAZEC-UHFFFAOYSA-N 0 3 309.391 2.340 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)noc2CCC)[C@H]1C ZINC001088564081 780485057 /nfs/dbraw/zinc/48/50/57/780485057.db2.gz WEQPZJSRWPRBDT-KGLIPLIRSA-N 0 3 303.406 2.151 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@H]1C ZINC001088668720 780702676 /nfs/dbraw/zinc/70/26/76/780702676.db2.gz HAIRNIZQSGIEFJ-ZBFHGGJFSA-N 0 3 312.417 2.032 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(O)cn1)C2 ZINC001144259987 790827424 /nfs/dbraw/zinc/82/74/24/790827424.db2.gz VCSZHYRAHDHGMF-ROUUACIJSA-N 0 3 318.417 2.361 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1nccs1)C[C@H](C)O2 ZINC001098652963 780912116 /nfs/dbraw/zinc/91/21/16/780912116.db2.gz IKRPDGODAMQZMC-ZDUSSCGKSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)c(C)nc2C)[C@H]1C ZINC001088726706 780919646 /nfs/dbraw/zinc/91/96/46/780919646.db2.gz KITPXDLPEKJCPE-CABCVRRESA-N 0 3 302.422 2.171 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccnc2C(F)F)[C@H]1C ZINC001088732225 780922329 /nfs/dbraw/zinc/92/23/29/780922329.db2.gz VFUHATYZAFUBPJ-YPMHNXCESA-N 0 3 307.344 2.235 20 30 DEEDHN COc1ccc(CNCCNC(=O)C#CC(C)C)cc1Cl ZINC001126810504 780932045 /nfs/dbraw/zinc/93/20/45/780932045.db2.gz IAYLEDFTODLDDD-UHFFFAOYSA-N 0 3 308.809 2.214 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001083480483 780967466 /nfs/dbraw/zinc/96/74/66/780967466.db2.gz LZJKWWANJIRLSG-CVEARBPZSA-N 0 3 314.385 2.174 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc(=O)c3ccccc23)[C@H]1C ZINC001088788836 780986870 /nfs/dbraw/zinc/98/68/70/780986870.db2.gz GMHNENSLNBYQCD-DYVFJYSZSA-N 0 3 324.380 2.009 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001091034107 790843447 /nfs/dbraw/zinc/84/34/47/790843447.db2.gz YVPOGDZVTCKSHG-CVSAEHQPSA-N 0 3 312.841 2.205 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C3CCC3)cc2)[C@@H](O)C1 ZINC001083507605 781021946 /nfs/dbraw/zinc/02/19/46/781021946.db2.gz QTYKTSWDBUIERH-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)n(CC)c3C)[C@@H]2C1 ZINC001076005972 781052018 /nfs/dbraw/zinc/05/20/18/781052018.db2.gz OFZMVBCQALGFIX-DOTOQJQBSA-N 0 3 301.434 2.457 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001073756011 790847502 /nfs/dbraw/zinc/84/75/02/790847502.db2.gz QDXRBUBRHOSZEI-UYSNPLJNSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001076513023 781292888 /nfs/dbraw/zinc/29/28/88/781292888.db2.gz ZZYIGSOGLWTYME-NWDGAFQWSA-N 0 3 308.328 2.387 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccccc3Cl)[C@@H]2C1 ZINC001076563801 781310334 /nfs/dbraw/zinc/31/03/34/781310334.db2.gz NOAOJNOLZGJEDP-DZGCQCFKSA-N 0 3 320.820 2.438 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001077401668 781570230 /nfs/dbraw/zinc/57/02/30/781570230.db2.gz GFAIXHWZNJCOPS-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001083613977 781621688 /nfs/dbraw/zinc/62/16/88/781621688.db2.gz XGBUETLTTURZDZ-CABCVRRESA-N 0 3 308.447 2.106 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001060262785 781751788 /nfs/dbraw/zinc/75/17/88/781751788.db2.gz CVRPWZWKSSJEAZ-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001060262840 781752014 /nfs/dbraw/zinc/75/20/14/781752014.db2.gz DMVJIEMZGSSSCY-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CN[C@H](C)c2nnc(CC)[nH]2)[C@H](C)C1 ZINC001105929477 781872471 /nfs/dbraw/zinc/87/24/71/781872471.db2.gz RNFOEMIFJQGSAR-MGPQQGTHSA-N 0 3 319.453 2.078 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001105942476 781884427 /nfs/dbraw/zinc/88/44/27/781884427.db2.gz IEJJQTOAWADLKF-DCTXWPTRSA-N 0 3 321.248 2.192 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001073867499 790926768 /nfs/dbraw/zinc/92/67/68/790926768.db2.gz YTPOVTUZRPGLFP-QGZVFWFLSA-N 0 3 302.418 2.392 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001089623665 783289492 /nfs/dbraw/zinc/28/94/92/783289492.db2.gz CQTCZISLKWOCDW-AWEZNQCLSA-N 0 3 303.406 2.194 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089657201 783329938 /nfs/dbraw/zinc/32/99/38/783329938.db2.gz AXMBDGKGZUHUIY-HOTGVXAUSA-N 0 3 307.482 2.264 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001089664161 783336687 /nfs/dbraw/zinc/33/66/87/783336687.db2.gz DFTFWHOAUPKBBQ-INIZCTEOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001089696295 783360689 /nfs/dbraw/zinc/36/06/89/783360689.db2.gz XZNDDCXEEKCPMB-PMPSAXMXSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc3nccn32)C1 ZINC001091140551 790929674 /nfs/dbraw/zinc/92/96/74/790929674.db2.gz DPMJARWDGWCDDN-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001089725386 783390470 /nfs/dbraw/zinc/39/04/70/783390470.db2.gz HDRJWQZFMDCAET-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c(Cl)cnn2C)CC1 ZINC000948376891 783445884 /nfs/dbraw/zinc/44/58/84/783445884.db2.gz CYPFTXSVESXEIY-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnc(C3CC3)o2)CC1 ZINC000948443057 783467685 /nfs/dbraw/zinc/46/76/85/783467685.db2.gz XVUFMIUDKKPBIH-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000948470558 783476423 /nfs/dbraw/zinc/47/64/23/783476423.db2.gz DMTTXZJVMKEQTE-OAHLLOKOSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ncn3ccc(C)cc23)CC1 ZINC000948567055 783505930 /nfs/dbraw/zinc/50/59/30/783505930.db2.gz SULLFGCYXZVQSL-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)Cn2cncc2C)CC1 ZINC000948620078 783531951 /nfs/dbraw/zinc/53/19/51/783531951.db2.gz CBFKYGVKZRKCCU-OAHLLOKOSA-N 0 3 324.856 2.257 20 30 DEEDHN CCCCO[C@@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001124459895 783542176 /nfs/dbraw/zinc/54/21/76/783542176.db2.gz RUCIPPWDAQOTPJ-LBPRGKRZSA-N 0 3 309.435 2.031 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(F)s2)C1 ZINC001073908330 790952797 /nfs/dbraw/zinc/95/27/97/790952797.db2.gz INEADFYDKPEMET-GFCCVEGCSA-N 0 3 312.410 2.284 20 30 DEEDHN C#Cc1ccc(CN2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)cc1 ZINC001144580718 790954170 /nfs/dbraw/zinc/95/41/70/790954170.db2.gz GBXXODUIHOYOLX-QGZVFWFLSA-N 0 3 323.396 2.428 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nn(C)c1C ZINC001085289866 783623439 /nfs/dbraw/zinc/62/34/39/783623439.db2.gz CTIZZHDJMPELDM-ZIAGYGMSSA-N 0 3 324.856 2.420 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cscn1 ZINC001085354009 783649871 /nfs/dbraw/zinc/64/98/71/783649871.db2.gz JWCNGBXHUAKWNC-CHWSQXEVSA-N 0 3 313.854 2.455 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C)nc1C ZINC001085366645 783657525 /nfs/dbraw/zinc/65/75/25/783657525.db2.gz PCVLNQVWIQGXGU-HUUCEWRRSA-N 0 3 322.840 2.477 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)n[nH]c1C ZINC001085420170 783675508 /nfs/dbraw/zinc/67/55/08/783675508.db2.gz OMEONEAWABLWFN-HUUCEWRRSA-N 0 3 324.856 2.339 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(n2)CCCN3)CC1 ZINC000828170268 783752353 /nfs/dbraw/zinc/75/23/53/783752353.db2.gz KFEQCIHQDJVBAB-UHFFFAOYSA-N 0 3 314.433 2.210 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899121 783803032 /nfs/dbraw/zinc/80/30/32/783803032.db2.gz BNOGIEVNPLEBMJ-SUMWQHHRSA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1F ZINC000966907251 783811264 /nfs/dbraw/zinc/81/12/64/783811264.db2.gz QKXGIYQFYOODMF-CQSZACIVSA-N 0 3 312.348 2.030 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CC(NCc3conc3C)C2)cc1 ZINC001091176611 790976998 /nfs/dbraw/zinc/97/69/98/790976998.db2.gz HHZDGQIDCZEEDX-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001085597027 783868789 /nfs/dbraw/zinc/86/87/89/783868789.db2.gz OOKCNZRXLDMPKP-GJZGRUSLSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001085621498 783895263 /nfs/dbraw/zinc/89/52/63/783895263.db2.gz SBNSIUIHNOKVQX-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC=C(C)C)C[C@H]2O)CCC1 ZINC001099989981 783957125 /nfs/dbraw/zinc/95/71/25/783957125.db2.gz WLAJIASCMBBPFP-JKSUJKDBSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC000967358300 783964590 /nfs/dbraw/zinc/96/45/90/783964590.db2.gz QWBDCNWUTNDEGX-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967415126 783989361 /nfs/dbraw/zinc/98/93/61/783989361.db2.gz PBLGTKJTYCYSTB-SUMWQHHRSA-N 0 3 313.445 2.470 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719333 784003404 /nfs/dbraw/zinc/00/34/04/784003404.db2.gz QKPCOUCVUVRAAY-JZXOWHBKSA-N 0 3 306.450 2.445 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCC1CC(NCc2ccc(C#N)cc2F)C1 ZINC001091185935 790993342 /nfs/dbraw/zinc/99/33/42/790993342.db2.gz XIMXVFIILAYJQX-WIRQWFGLSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@@H](C)C1 ZINC001073977511 790994561 /nfs/dbraw/zinc/99/45/61/790994561.db2.gz PVLGETCWKCPBDM-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(OCC)c1 ZINC001085809117 784100786 /nfs/dbraw/zinc/10/07/86/784100786.db2.gz VSAXNVKLUBOLCZ-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001085865202 784158680 /nfs/dbraw/zinc/15/86/80/784158680.db2.gz WEYZASCINHMJCM-IKGGRYGDSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001168771783 784160846 /nfs/dbraw/zinc/16/08/46/784160846.db2.gz MNUWFEIZYONYPR-HNNXBMFYSA-N 0 3 308.809 2.229 20 30 DEEDHN CC(C)Oc1ccccc1CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967943802 784183503 /nfs/dbraw/zinc/18/35/03/784183503.db2.gz LPKSYDFOHRESFW-GOEBONIOSA-N 0 3 315.417 2.324 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085895285 784186180 /nfs/dbraw/zinc/18/61/80/784186180.db2.gz YQLALRBFXPPRLU-ZDUSSCGKSA-N 0 3 312.364 2.391 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085903314 784198041 /nfs/dbraw/zinc/19/80/41/784198041.db2.gz BPVUOKFUXLLENR-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001073998766 791006794 /nfs/dbraw/zinc/00/67/94/791006794.db2.gz DDASPKMGWCEAAB-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968134888 784233580 /nfs/dbraw/zinc/23/35/80/784233580.db2.gz ZURBCTFTBJLYKQ-KDOFPFPSSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001085950614 784246049 /nfs/dbraw/zinc/24/60/49/784246049.db2.gz KKBMSXXKZRLEIZ-CABCVRRESA-N 0 3 316.449 2.188 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001086016703 784331273 /nfs/dbraw/zinc/33/12/73/784331273.db2.gz DMBXZSZUOSEAHS-OYNZBZHQSA-N 0 3 315.392 2.338 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968409308 784367645 /nfs/dbraw/zinc/36/76/45/784367645.db2.gz LHJHJMISLUFDSN-PBHICJAKSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H]2C[C@@H](NCc3ccnn3C)C2)CC1 ZINC001086187071 784475659 /nfs/dbraw/zinc/47/56/59/784475659.db2.gz FBAGVFMEVMODPN-FZNQNYSPSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1ncc(C)s1 ZINC001155445745 784494370 /nfs/dbraw/zinc/49/43/70/784494370.db2.gz CNTGGJNGMAADAZ-ZDUSSCGKSA-N 0 3 311.451 2.029 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968617883 784503856 /nfs/dbraw/zinc/50/38/56/784503856.db2.gz NNXSNIAVRHFVBK-QGZVFWFLSA-N 0 3 312.413 2.108 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC000968623559 784507985 /nfs/dbraw/zinc/50/79/85/784507985.db2.gz ITZBNTNGMNKKDM-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624424 784508879 /nfs/dbraw/zinc/50/88/79/784508879.db2.gz SSDKKXKDEPHQIH-WBMJQRKESA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)CC1 ZINC001066463040 784528165 /nfs/dbraw/zinc/52/81/65/784528165.db2.gz OUCQZYIKBQQZMT-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)c2cccnc2)C1 ZINC001086294323 784549991 /nfs/dbraw/zinc/54/99/91/784549991.db2.gz SKEPFDHNERDQTH-AULYBMBSSA-N 0 3 324.222 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001086362725 784622252 /nfs/dbraw/zinc/62/22/52/784622252.db2.gz JXPSPKMFXHXNAF-JOCQHMNTSA-N 0 3 324.856 2.394 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccnc(OC)n1 ZINC000968947841 784664097 /nfs/dbraw/zinc/66/40/97/784664097.db2.gz XBMMXXRTXYFSME-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cncc(OC)c2C)C1 ZINC001086401749 784670919 /nfs/dbraw/zinc/67/09/19/784670919.db2.gz RMCBXVTXFSPLEB-JOCQHMNTSA-N 0 3 323.824 2.249 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC001086406478 784682738 /nfs/dbraw/zinc/68/27/38/784682738.db2.gz IYOAGXUSPSNXJF-XUXIUFHCSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC000969025729 784695297 /nfs/dbraw/zinc/69/52/97/784695297.db2.gz SXBGUALHTZETGB-FUHWJXTLSA-N 0 3 313.445 2.343 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC000969025764 784695471 /nfs/dbraw/zinc/69/54/71/784695471.db2.gz UQPCBJJBYYIYBR-AWEZNQCLSA-N 0 3 319.453 2.194 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001086422902 784709863 /nfs/dbraw/zinc/70/98/63/784709863.db2.gz CFRXNOAFQIASSS-JOCQHMNTSA-N 0 3 324.808 2.107 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC000969091009 784723152 /nfs/dbraw/zinc/72/31/52/784723152.db2.gz SCZYAYLVDKOIKZ-CYBMUJFWSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001086527301 784910533 /nfs/dbraw/zinc/91/05/33/784910533.db2.gz OPQFIYJXAWSKMJ-AJNGGQMLSA-N 0 3 314.857 2.429 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)nc2)CN1C(=O)OC(C)(C)C ZINC001168835604 784934244 /nfs/dbraw/zinc/93/42/44/784934244.db2.gz UJWGMAFZRWDVBM-IUODEOHRSA-N 0 3 316.405 2.441 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCN(C[C@H](CC)OC)C1 ZINC001007501844 784937253 /nfs/dbraw/zinc/93/72/53/784937253.db2.gz CNDJMEYAGMFXMJ-CVEARBPZSA-N 0 3 319.449 2.293 20 30 DEEDHN C=CCCOCC(=O)NC[C@]1(C)CN([C@H](C)CCC=C)CCO1 ZINC001108430214 784982345 /nfs/dbraw/zinc/98/23/45/784982345.db2.gz YUDUZOQJYZTMNX-SJLPKXTDSA-N 0 3 324.465 2.141 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@H](Oc2ncccn2)C1 ZINC001171231351 791071716 /nfs/dbraw/zinc/07/17/16/791071716.db2.gz IRSFWHGMELUHPE-PBHICJAKSA-N 0 3 308.385 2.433 20 30 DEEDHN CN(C)Cc1ccc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)o1 ZINC001169199023 785082443 /nfs/dbraw/zinc/08/24/43/785082443.db2.gz LQCQUWJAMCWCDJ-UHFFFAOYSA-N 0 3 309.329 2.341 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001008050228 785089981 /nfs/dbraw/zinc/08/99/81/785089981.db2.gz YEFMGIQQAIZRDG-HNNXBMFYSA-N 0 3 320.383 2.420 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001008054678 785091328 /nfs/dbraw/zinc/09/13/28/785091328.db2.gz AJHLLWBCBLVXAB-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(CC)nnc2C)C1 ZINC001008061806 785095266 /nfs/dbraw/zinc/09/52/66/785095266.db2.gz JHLOCXHRWAOFMG-OAHLLOKOSA-N 0 3 302.422 2.118 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001008115453 785111625 /nfs/dbraw/zinc/11/16/25/785111625.db2.gz LFOINTGEXDDLDA-OAHLLOKOSA-N 0 3 323.396 2.158 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(C[C@@H](CC)OC)C2)cc1 ZINC001008150176 785121331 /nfs/dbraw/zinc/12/13/31/785121331.db2.gz SJRHONWOIYRYQA-ZWKOTPCHSA-N 0 3 314.429 2.287 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC001169337973 785149611 /nfs/dbraw/zinc/14/96/11/785149611.db2.gz ZURJGVPECBIUMP-ZIAGYGMSSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)nc1OCC ZINC001169838705 785382034 /nfs/dbraw/zinc/38/20/34/785382034.db2.gz RNRROJDKQRYHDG-UHFFFAOYSA-N 0 3 311.813 2.251 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001009231440 785414472 /nfs/dbraw/zinc/41/44/72/785414472.db2.gz LVBJCBMGHQOLEL-MRXNPFEDSA-N 0 3 318.465 2.219 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001009462855 785457351 /nfs/dbraw/zinc/45/73/51/785457351.db2.gz CBUYZIQKIYQENU-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001108907745 785618056 /nfs/dbraw/zinc/61/80/56/785618056.db2.gz NXJFMEXNAAQIAF-YVSFHVDLSA-N 0 3 304.434 2.267 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109266380 785788162 /nfs/dbraw/zinc/78/81/62/785788162.db2.gz APTVHVOWNLYTQV-BGTYHANMSA-N 0 3 316.445 2.247 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC13CC3)C2 ZINC001109443984 785880419 /nfs/dbraw/zinc/88/04/19/785880419.db2.gz NWAWCTULXRWEFT-NCOADZHNSA-N 0 3 318.461 2.491 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001109605472 785958216 /nfs/dbraw/zinc/95/82/16/785958216.db2.gz DCTYKQGPLPSVRW-UGUYLWEFSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109630396 785968516 /nfs/dbraw/zinc/96/85/16/785968516.db2.gz CKIGULDUUMDQJX-IKGGRYGDSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2COc3ccccc32)C1 ZINC001086565160 786269360 /nfs/dbraw/zinc/26/93/60/786269360.db2.gz ZLRSFIKCEKXIDK-UMVBOHGHSA-N 0 3 320.820 2.400 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2cc(OC)no2)CC1 ZINC001112894662 786279757 /nfs/dbraw/zinc/27/97/57/786279757.db2.gz IXTRPVWSSORDRR-CQSZACIVSA-N 0 3 321.421 2.115 20 30 DEEDHN CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113125726 786410403 /nfs/dbraw/zinc/41/04/03/786410403.db2.gz XOTGEXVAVYXNLE-OLZOCXBDSA-N 0 3 320.412 2.344 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001113335329 786530989 /nfs/dbraw/zinc/53/09/89/786530989.db2.gz LQUPLXRZOZEAFB-GJZGRUSLSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001113335331 786531831 /nfs/dbraw/zinc/53/18/31/786531831.db2.gz LQUPLXRZOZEAFB-LSDHHAIUSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001014424008 786578789 /nfs/dbraw/zinc/57/87/89/786578789.db2.gz HXNFSCXEDBXRKA-GDBMZVCRSA-N 0 3 318.392 2.143 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2coc3c2cccc3OC)C1 ZINC001014469663 786595192 /nfs/dbraw/zinc/59/51/92/786595192.db2.gz SRLQLFWJAFFXSS-CYBMUJFWSA-N 0 3 312.369 2.269 20 30 DEEDHN C=CCCN1CCN(C(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC001113529600 786663350 /nfs/dbraw/zinc/66/33/50/786663350.db2.gz XEYPHQYNSBCJSI-GOSISDBHSA-N 0 3 315.461 2.400 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C[C@H](C)OC)C2)cc1 ZINC001014981164 786840137 /nfs/dbraw/zinc/84/01/37/786840137.db2.gz PYSRJMKVQUEQJT-HOCLYGCPSA-N 0 3 318.417 2.090 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C[C@@H](C)OC)C1 ZINC001014982796 786840500 /nfs/dbraw/zinc/84/05/00/786840500.db2.gz YHPPGTXGBHIEIV-CABCVRRESA-N 0 3 318.417 2.090 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001015369667 787019930 /nfs/dbraw/zinc/01/99/30/787019930.db2.gz WNPGGTIVJGDAGU-CWRNSKLLSA-N 0 3 318.367 2.282 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015392006 787029797 /nfs/dbraw/zinc/02/97/97/787029797.db2.gz LZAFTFSWUDCZOF-SECBINFHSA-N 0 3 303.284 2.074 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001114253524 787185533 /nfs/dbraw/zinc/18/55/33/787185533.db2.gz PTVZCIVSGRLXFS-KXTWHKPSSA-N 0 3 320.436 2.135 20 30 DEEDHN C=CCCC(=O)NCc1ccncc1O[C@H]1CCN(CC)C1 ZINC001130315550 787345276 /nfs/dbraw/zinc/34/52/76/787345276.db2.gz XPQLCWZFCJCGMW-HNNXBMFYSA-N 0 3 303.406 2.137 20 30 DEEDHN CCc1ccc(C(=O)NCCNCc2ccc(C#N)s2)o1 ZINC001130351430 787357056 /nfs/dbraw/zinc/35/70/56/787357056.db2.gz AHEHEEMRZXQLHX-UHFFFAOYSA-N 0 3 303.387 2.295 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001130409909 787379742 /nfs/dbraw/zinc/37/97/42/787379742.db2.gz XSHAXFSKBWLYTO-RDTXWAMCSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(CC)CC2)C1 ZINC001130424072 787386694 /nfs/dbraw/zinc/38/66/94/787386694.db2.gz ZJUSBCVFGQTNRB-CYBMUJFWSA-N 0 3 302.422 2.191 20 30 DEEDHN Cc1cc(C)nc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001130670181 787455410 /nfs/dbraw/zinc/45/54/10/787455410.db2.gz KHFUMLSZOQJBQE-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C3CC3)no1)C2 ZINC001096091348 787500048 /nfs/dbraw/zinc/50/00/48/787500048.db2.gz AEQICOBORKKGHT-SNPRPXQTSA-N 0 3 301.390 2.463 20 30 DEEDHN Cc1cncc(C)c1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131295834 787585161 /nfs/dbraw/zinc/58/51/61/787585161.db2.gz BPEMHVUUTWXGIK-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN Cc1onc(C2CC2)c1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131436940 787623760 /nfs/dbraw/zinc/62/37/60/787623760.db2.gz XQMQYGIXHIDZJC-UHFFFAOYSA-N 0 3 324.384 2.252 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001330644045 1149228593 /nfs/dbraw/zinc/22/85/93/1149228593.db2.gz OIOUVKFTDFSJDY-BZUAXINKSA-N 0 3 318.465 2.315 20 30 DEEDHN C[C@@H](Nc1cccc(C2(C#N)CCOCC2)c1)[C@H]1CNCCO1 ZINC001170568318 787647029 /nfs/dbraw/zinc/64/70/29/787647029.db2.gz GNPPDUCEBQHIFM-RHSMWYFYSA-N 0 3 315.417 2.047 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131632971 787666734 /nfs/dbraw/zinc/66/67/34/787666734.db2.gz OWBDDTJWNSAMME-AEFFLSMTSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCOCC)C[C@H](C)O2 ZINC001131639118 787668940 /nfs/dbraw/zinc/66/89/40/787668940.db2.gz SMGKDYLHPZMKOM-FUHWJXTLSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCOC(C)C)C2)C1 ZINC001131649174 787672238 /nfs/dbraw/zinc/67/22/38/787672238.db2.gz HGICIYPYYONSTO-SJLPKXTDSA-N 0 3 324.465 2.069 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131672923 787676739 /nfs/dbraw/zinc/67/67/39/787676739.db2.gz CPTUZIMBPMXGID-PKOBYXMFSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC=C(C)C)C2)C1 ZINC001131657259 787679413 /nfs/dbraw/zinc/67/94/13/787679413.db2.gz HLWXYAFLJULKKK-PKOBYXMFSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2CC(F)(F)C2)CC[C@H]1C ZINC001131959931 787853793 /nfs/dbraw/zinc/85/37/93/787853793.db2.gz JDOVZLYHDDOXNJ-OCCSQVGLSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2ccc(C)o2)CC[C@H]1C ZINC001131965828 787857427 /nfs/dbraw/zinc/85/74/27/787857427.db2.gz ZNPBAJGMNCJFND-GDBMZVCRSA-N 0 3 320.433 2.302 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2coc(CC)n2)C1 ZINC001086676219 787868109 /nfs/dbraw/zinc/86/81/09/787868109.db2.gz HKMYRAXTVOLNQH-NWDGAFQWSA-N 0 3 311.813 2.478 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001132121025 787933187 /nfs/dbraw/zinc/93/31/87/787933187.db2.gz YNZZAXJFALHILV-GDBMZVCRSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(OC)nc2)CC[C@H]1C ZINC001132173431 787951185 /nfs/dbraw/zinc/95/11/85/787951185.db2.gz LYOSCZPWRIMWDT-ZBFHGGJFSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(C)cc1OC)C2 ZINC001097239347 788032163 /nfs/dbraw/zinc/03/21/63/788032163.db2.gz PVZHZYPTDIHSBW-KFWWJZLASA-N 0 3 315.417 2.310 20 30 DEEDHN O=C1C=C2CN(Cc3ccc4nsnc4c3)CCC2S1 ZINC001139211923 788037123 /nfs/dbraw/zinc/03/71/23/788037123.db2.gz RZIKIKHMKJCRGS-ZDUSSCGKSA-N 0 3 303.412 2.465 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)c(F)c1)C2 ZINC001097261161 788040974 /nfs/dbraw/zinc/04/09/74/788040974.db2.gz JAGJUIQCMXEKNP-BMFZPTHFSA-N 0 3 316.376 2.193 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccnc(C)c2)CC[C@H]1C ZINC001132368303 788041680 /nfs/dbraw/zinc/04/16/80/788041680.db2.gz KXTOYHAXLXQOFW-NVXWUHKLSA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CNC(=O)CCC(C)C)CC[C@@H]1C ZINC001132359929 788047132 /nfs/dbraw/zinc/04/71/32/788047132.db2.gz PZPXAJCYEQSXRO-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)NCCNCC(=O)NC1CCCCCCC1 ZINC001132395951 788055678 /nfs/dbraw/zinc/05/56/78/788055678.db2.gz WENKFXWMXHRSCC-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CC=C)CCOCC2)CC[C@H]1C ZINC001132454635 788075752 /nfs/dbraw/zinc/07/57/52/788075752.db2.gz ZCPDXMNYUGAKDM-IAGOWNOFSA-N 0 3 318.461 2.352 20 30 DEEDHN Cc1cocc1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132482986 788098680 /nfs/dbraw/zinc/09/86/80/788098680.db2.gz NALDAILLLLNDEL-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001132499835 788100834 /nfs/dbraw/zinc/10/08/34/788100834.db2.gz KUVLUCXRGFXJRZ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132532307 788121976 /nfs/dbraw/zinc/12/19/76/788121976.db2.gz AWQFHEPTOPJVIT-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCN1CCC[C@@H](N(Cc2ccccn2)C(=O)[C@H](C)C#N)CC1 ZINC001132554527 788128754 /nfs/dbraw/zinc/12/87/54/788128754.db2.gz IBJUBEAJSIJPMS-SJLPKXTDSA-N 0 3 324.428 2.058 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2scnc2C)C(=O)CC)C1 ZINC001132559325 788129763 /nfs/dbraw/zinc/12/97/63/788129763.db2.gz WSQJAEVHPPVBAV-CQSZACIVSA-N 0 3 305.447 2.145 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132565383 788132387 /nfs/dbraw/zinc/13/23/87/788132387.db2.gz VFIFRRIOXXJVCE-UONOGXRCSA-N 0 3 317.433 2.309 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C2 ZINC001097562658 788136008 /nfs/dbraw/zinc/13/60/08/788136008.db2.gz UPHJDXRTYKGZFI-TWMKSMIVSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccn(C(C)C)n1)C2 ZINC001097568024 788138010 /nfs/dbraw/zinc/13/80/10/788138010.db2.gz LOOFSGJQIRBZNT-ZACQAIPSSA-N 0 3 316.449 2.304 20 30 DEEDHN Cc1coc(C(=O)NCCNCc2ccc(F)c(C#N)c2)c1 ZINC001132640862 788149601 /nfs/dbraw/zinc/14/96/01/788149601.db2.gz JQKRTURLHKUOBF-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132658857 788152968 /nfs/dbraw/zinc/15/29/68/788152968.db2.gz LYZYTKUFEGAOIW-GJZGRUSLSA-N 0 3 300.402 2.103 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@H](CNCc2nccn2CC)C1 ZINC001132697652 788170919 /nfs/dbraw/zinc/17/09/19/788170919.db2.gz SSDAOBQJGHUKNI-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@H]2C)o1 ZINC001132809241 788204719 /nfs/dbraw/zinc/20/47/19/788204719.db2.gz NFARNICLOUYEDW-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001132866328 788213566 /nfs/dbraw/zinc/21/35/66/788213566.db2.gz XWMHWHSJBCWGON-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2nnc(C)[nH]2)C1 ZINC001133071913 788273549 /nfs/dbraw/zinc/27/35/49/788273549.db2.gz DFCITCMTKSPCCH-UKRRQHHQSA-N 0 3 319.453 2.044 20 30 DEEDHN CO[C@H]1CCC[C@H](C(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001133082803 788275631 /nfs/dbraw/zinc/27/56/31/788275631.db2.gz NMIZYDYTHNRJIQ-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1nnc([C@@H](C)NCCCC[C@@H](C)NC(=O)C#CC(C)C)[nH]1 ZINC001170649839 788276527 /nfs/dbraw/zinc/27/65/27/788276527.db2.gz VYYYAWGZUYPNHU-ZIAGYGMSSA-N 0 3 319.453 2.098 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2cccc(C#N)c2)c(C)c1 ZINC001133193753 788313276 /nfs/dbraw/zinc/31/32/76/788313276.db2.gz ZDVPPSCKUYFEDL-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2CCC(F)CC2)s1 ZINC001133385037 788396084 /nfs/dbraw/zinc/39/60/84/788396084.db2.gz SGEWERBWDZJEFP-UHFFFAOYSA-N 0 3 309.410 2.354 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)COC(C)C ZINC001133853036 788634061 /nfs/dbraw/zinc/63/40/61/788634061.db2.gz KUFYEDQAZBLQEK-NEPJUHHUSA-N 0 3 321.259 2.193 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(Cl)n1C ZINC001133889439 788659150 /nfs/dbraw/zinc/65/91/50/788659150.db2.gz WOKGWUGYFXQJPK-RYUDHWBXSA-N 0 3 312.845 2.413 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001133910179 788668126 /nfs/dbraw/zinc/66/81/26/788668126.db2.gz WRVNNRRHMZDIFZ-OECYYCGISA-N 0 3 309.237 2.381 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134019439 788714707 /nfs/dbraw/zinc/71/47/07/788714707.db2.gz VGFXGELULTUMLX-KBPBESRZSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1cnns1 ZINC001134119516 788770652 /nfs/dbraw/zinc/77/06/52/788770652.db2.gz SDMCYAQYGINYRY-QWHCGFSZSA-N 0 3 308.451 2.105 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccnc1C ZINC001134119891 788771245 /nfs/dbraw/zinc/77/12/45/788771245.db2.gz YUIIGLINMNERSS-GJZGRUSLSA-N 0 3 316.449 2.352 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)C#CC1CC1)NCc1cc(C2CC2)no1 ZINC001134320828 788869352 /nfs/dbraw/zinc/86/93/52/788869352.db2.gz APDKIQDEZDMFSW-CHWSQXEVSA-N 0 3 315.417 2.338 20 30 DEEDHN Cc1cc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)ncn1 ZINC001134329516 788874220 /nfs/dbraw/zinc/87/42/20/788874220.db2.gz OQYUHMTVGQCXAO-HIFRSBDPSA-N 0 3 316.449 2.207 20 30 DEEDHN C=CCCC(=O)N1CCC(CC)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001069238973 788968407 /nfs/dbraw/zinc/96/84/07/788968407.db2.gz WFMNPCAUBAJMDV-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C[C@H]1CC[C@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001134738001 789055700 /nfs/dbraw/zinc/05/57/00/789055700.db2.gz DFSHUQVSRCJDST-JSGCOSHPSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001135180182 789234452 /nfs/dbraw/zinc/23/44/52/789234452.db2.gz FCBXWZMVBADZFQ-ZIAGYGMSSA-N 0 3 306.454 2.395 20 30 DEEDHN C=CC1(CC(=O)NCCNCC(=O)NC(C)(C)C)CCCCC1 ZINC001135186384 789237194 /nfs/dbraw/zinc/23/71/94/789237194.db2.gz FYUYTHVJVVSFEJ-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1snnc1C ZINC001135235306 789252865 /nfs/dbraw/zinc/25/28/65/789252865.db2.gz JCMFELNRGBSSNS-GHMZBOCLSA-N 0 3 310.467 2.432 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)cn1 ZINC001135234972 789253054 /nfs/dbraw/zinc/25/30/54/789253054.db2.gz FEXCGCCWHFKLCF-QWHCGFSZSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cc2n(n1)CCC2 ZINC001135236024 789255155 /nfs/dbraw/zinc/25/51/55/789255155.db2.gz PKOCBZBWPINUOA-UONOGXRCSA-N 0 3 318.465 2.414 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccc(OC)nn1 ZINC001135357759 789299258 /nfs/dbraw/zinc/29/92/58/789299258.db2.gz IANRJKIBJYMXRP-KGLIPLIRSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2CC(F)(F)C2)C1 ZINC001070400736 789310459 /nfs/dbraw/zinc/31/04/59/789310459.db2.gz CUULPTLMXDDNFK-LLVKDONJSA-N 0 3 324.375 2.047 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2CC(C)C2)C1 ZINC001070403562 789311468 /nfs/dbraw/zinc/31/14/68/789311468.db2.gz WBKOTTHCSBBRQE-ROKHWSDSSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2=CCCC2)C1 ZINC001070403465 789311940 /nfs/dbraw/zinc/31/19/40/789311940.db2.gz TYPAXDRWAMKWCK-AWEZNQCLSA-N 0 3 300.406 2.112 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001070533024 789367638 /nfs/dbraw/zinc/36/76/38/789367638.db2.gz GIPITOBDHWONQM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(C)(C)C)n1 ZINC001070599420 789395562 /nfs/dbraw/zinc/39/55/62/789395562.db2.gz ZTZDEVDWBFXNLX-KBPBESRZSA-N 0 3 320.437 2.143 20 30 DEEDHN CCCc1cc(C#N)c(N[C@@H](C)[C@H]2CNCCO2)nc1Cl ZINC001159496408 789411801 /nfs/dbraw/zinc/41/18/01/789411801.db2.gz 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ZINC001136086629 789619489 /nfs/dbraw/zinc/61/94/89/789619489.db2.gz BEMDSNFXPZNUOV-PBHICJAKSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001086818226 789632237 /nfs/dbraw/zinc/63/22/37/789632237.db2.gz VPOGRGSBZMGWCZ-NWDGAFQWSA-N 0 3 311.813 2.478 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnn2C2CCC2)CC[C@H]1C ZINC001071515541 789752700 /nfs/dbraw/zinc/75/27/00/789752700.db2.gz VGVODCVBEGNLBJ-HUUCEWRRSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C3CC3)cnn2C)CC[C@H]1C ZINC001071562001 789782433 /nfs/dbraw/zinc/78/24/33/789782433.db2.gz YHHCBQRTQRMMFX-UKRRQHHQSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)ncn3C)CC[C@H]1C ZINC001071622715 789820975 /nfs/dbraw/zinc/82/09/75/789820975.db2.gz MMSPGNFAWJBWRE-GDBMZVCRSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCN1C[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)CC[C@@H]1C ZINC001071646672 789838495 /nfs/dbraw/zinc/83/84/95/789838495.db2.gz ARIJGDWEMIEDPA-JQWIXIFHSA-N 0 3 320.824 2.156 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(c3cccnc3)CC2)CC[C@H]1C ZINC001071758048 789906786 /nfs/dbraw/zinc/90/67/86/789906786.db2.gz XXFNTNOFWGXWDR-NVXWUHKLSA-N 0 3 311.429 2.106 20 30 DEEDHN C=C(C)CC[N@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001071761818 789907637 /nfs/dbraw/zinc/90/76/37/789907637.db2.gz CTRMHOSLMPCFCR-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001071761818 789907642 /nfs/dbraw/zinc/90/76/42/789907642.db2.gz CTRMHOSLMPCFCR-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)CC[C@H]1C ZINC001071765633 789909888 /nfs/dbraw/zinc/90/98/88/789909888.db2.gz IHGZFAJWCRGGJS-HUUCEWRRSA-N 0 3 317.433 2.102 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnc(OCC)c2)CC[C@H]1C ZINC001071817283 789927325 /nfs/dbraw/zinc/92/73/25/789927325.db2.gz DJEDFEAFVNXFDT-ZBFHGGJFSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc(N(C)C)c2)CC[C@@H]1C ZINC001071859724 789946502 /nfs/dbraw/zinc/94/65/02/789946502.db2.gz CYTDUYKEWOPYQT-GOEBONIOSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@@H]1C ZINC001071866018 789949711 /nfs/dbraw/zinc/94/97/11/789949711.db2.gz PTJOUFUWXNKGPS-LSDHHAIUSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2ccc(C(N)=O)s2)CC[C@H]1C ZINC001071894298 789962633 /nfs/dbraw/zinc/96/26/33/789962633.db2.gz XWJFNMBVHUMUDE-VXGBXAGGSA-N 0 3 321.446 2.006 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(CCC)nc2C)CC[C@H]1C ZINC001071934815 789977959 /nfs/dbraw/zinc/97/79/59/789977959.db2.gz SNOUWAWLQGHHIK-GDBMZVCRSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(CCC)nc2C)CC[C@@H]1C ZINC001071934817 789977983 /nfs/dbraw/zinc/97/79/83/789977983.db2.gz SNOUWAWLQGHHIK-HOCLYGCPSA-N 0 3 316.449 2.208 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)CC[C@@H]1C ZINC001071942020 789980229 /nfs/dbraw/zinc/98/02/29/789980229.db2.gz MIJVVZSHPXZVEJ-HOCLYGCPSA-N 0 3 318.465 2.243 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CC[C@@H](C)N(CC)C1 ZINC001071976340 789995367 /nfs/dbraw/zinc/99/53/67/789995367.db2.gz ADDKOMYRGWBTGH-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c3c(nn2C)CCC3)CC[C@@H]1C ZINC001071989853 790000509 /nfs/dbraw/zinc/00/05/09/790000509.db2.gz RSCPFXFCGUCCNR-UONOGXRCSA-N 0 3 316.449 2.068 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)nn(CC)c2C)CC[C@H]1C ZINC001071992049 790001647 /nfs/dbraw/zinc/00/16/47/790001647.db2.gz JASBOGAXXYRUOK-CZUORRHYSA-N 0 3 318.465 2.217 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2OC)CC[C@@H]1C ZINC001072013121 790012068 /nfs/dbraw/zinc/01/20/68/790012068.db2.gz WPJYOWVBKTXOQK-GJZGRUSLSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)CC[C@H]1C ZINC001072073106 790042168 /nfs/dbraw/zinc/04/21/68/790042168.db2.gz UQPIASDTQRCTHC-TZMCWYRMSA-N 0 3 315.417 2.045 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cnc(COC)s2)CC[C@@H]1C ZINC001072113562 790057886 /nfs/dbraw/zinc/05/78/86/790057886.db2.gz XZDRABPBVJFNLE-STQMWFEESA-N 0 3 323.462 2.448 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001072223231 790095713 /nfs/dbraw/zinc/09/57/13/790095713.db2.gz VPRHEKUHCOCQLZ-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnc4n3[C@H](C)CCC4)C2)C1 ZINC001072760259 790239400 /nfs/dbraw/zinc/23/94/00/790239400.db2.gz SPCUQTXOKFULOW-CQSZACIVSA-N 0 3 314.433 2.114 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1 ZINC001091545928 791238114 /nfs/dbraw/zinc/23/81/14/791238114.db2.gz WAFSZYRMCHNEMI-JOQOYGCGSA-N 0 3 315.392 2.266 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccsc2)[C@@H](O)C1 ZINC001099885258 791349968 /nfs/dbraw/zinc/34/99/68/791349968.db2.gz KOCLUMUMFWQPIR-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN CC#CCCCC(=O)N1CC2(C1)CCN(CCOCC(C)C)C2 ZINC001148111062 791684239 /nfs/dbraw/zinc/68/42/39/791684239.db2.gz OKMPRNKDIRABAB-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ncoc2CC)C1 ZINC001098765034 791698208 /nfs/dbraw/zinc/69/82/08/791698208.db2.gz SGURWNBOVLIPKO-GUYCJALGSA-N 0 3 303.406 2.397 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2F)C1 ZINC001098824200 791715328 /nfs/dbraw/zinc/71/53/28/791715328.db2.gz JCOQPLQMSQDBCO-LRDDRELGSA-N 0 3 306.406 2.495 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C(F)F)nc3)C[C@]2(C)C1 ZINC001091726773 791759319 /nfs/dbraw/zinc/75/93/19/791759319.db2.gz BRDPWXLYALCLTE-DYVFJYSZSA-N 0 3 319.355 2.046 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@]2(C)C1 ZINC001091741022 791784793 /nfs/dbraw/zinc/78/47/93/791784793.db2.gz WJSRTMQEYCZGGA-ACJLOTCBSA-N 0 3 318.367 2.382 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCOC3)C2)CC1 ZINC001086912337 791848605 /nfs/dbraw/zinc/84/86/05/791848605.db2.gz OGWVVOFHVOUNRF-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)Cc3occc3C)C2)CC1 ZINC001086942230 791856726 /nfs/dbraw/zinc/85/67/26/791856726.db2.gz LYJTUVMYRCXCCH-INIZCTEOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cccn3CC)C2)CC1 ZINC001086957346 791863792 /nfs/dbraw/zinc/86/37/92/791863792.db2.gz KOXSFSHRLZGQOA-MRXNPFEDSA-N 0 3 313.445 2.458 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cncc(CC)c3)C[C@]2(C)C1 ZINC001091856686 791894709 /nfs/dbraw/zinc/89/47/09/791894709.db2.gz YIZAGGQKPKUZPI-MJGOQNOKSA-N 0 3 311.429 2.061 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(F)c(F)cc3F)C[C@]2(C)C1 ZINC001091962878 791905679 /nfs/dbraw/zinc/90/56/79/791905679.db2.gz NPNGAVVAKLWCCJ-DIFFPNOSSA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)c(C)s3)C[C@]2(C)C1 ZINC001092260723 791970440 /nfs/dbraw/zinc/97/04/40/791970440.db2.gz BJSSTVSTEUAUGH-PBHICJAKSA-N 0 3 302.443 2.392 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001098919685 791982545 /nfs/dbraw/zinc/98/25/45/791982545.db2.gz AVHOTMHNTIDLCN-UGSOOPFHSA-N 0 3 310.401 2.333 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001099002636 792028886 /nfs/dbraw/zinc/02/88/86/792028886.db2.gz IKVARYWLRVNTKI-YJBOKZPZSA-N 0 3 310.401 2.333 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001099085061 792083556 /nfs/dbraw/zinc/08/35/56/792083556.db2.gz IWAJFCGPEISBLR-INIZCTEOSA-N 0 3 319.449 2.438 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(CCC)n2)C1 ZINC001099118463 792103868 /nfs/dbraw/zinc/10/38/68/792103868.db2.gz PRWITTIMDRLQIJ-KSSFIOAISA-N 0 3 315.417 2.235 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(OC)cc2)C1 ZINC001099132431 792110644 /nfs/dbraw/zinc/11/06/44/792110644.db2.gz MJVQZHAVZFGBGP-LPHOPBHVSA-N 0 3 312.413 2.303 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001099173971 792126943 /nfs/dbraw/zinc/12/69/43/792126943.db2.gz SEQCGLWGRZYMSV-LIRRHRJNSA-N 0 3 324.428 2.262 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001099181010 792128615 /nfs/dbraw/zinc/12/86/15/792128615.db2.gz JOYYGVCVZBVKPB-BMSNMYEMSA-N 0 3 312.457 2.273 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001099185906 792129951 /nfs/dbraw/zinc/12/99/51/792129951.db2.gz TXSKIHFHVNPSBQ-VPWXQRGCSA-N 0 3 324.424 2.157 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1C(F)(F)F ZINC001099210544 792138942 /nfs/dbraw/zinc/13/89/42/792138942.db2.gz JEHQEZBDFPKUGM-MWLCHTKSSA-N 0 3 321.730 2.447 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1C(F)(F)F ZINC001099267826 792157024 /nfs/dbraw/zinc/15/70/24/792157024.db2.gz NTXCPIGMZLOLLT-OPRDCNLKSA-N 0 3 312.282 2.197 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(=O)NCCC ZINC001099316679 792169283 /nfs/dbraw/zinc/16/92/83/792169283.db2.gz ZLFXLPNBJNWQTA-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnn([C@H](C)CC)c2C)[C@H](C)C1 ZINC001093118664 792240766 /nfs/dbraw/zinc/24/07/66/792240766.db2.gz RHBIXJQZLKXHGQ-IIAWOOMASA-N 0 3 316.449 2.093 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)cn1 ZINC001093143139 792251202 /nfs/dbraw/zinc/25/12/02/792251202.db2.gz QNHTTZQKXGWFHO-YFOKADDASA-N 0 3 317.820 2.113 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc3ccccc3n2)[C@H](C)C1 ZINC001093150784 792256723 /nfs/dbraw/zinc/25/67/23/792256723.db2.gz DQNRPUYKRLRBCJ-GDBMZVCRSA-N 0 3 307.397 2.166 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C[C@@H]1O ZINC001099726675 792329523 /nfs/dbraw/zinc/32/95/23/792329523.db2.gz IWGORQWJJYKQHC-ROUUACIJSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)F)CC1 ZINC001093351408 792330748 /nfs/dbraw/zinc/33/07/48/792330748.db2.gz KKDKVYUWVNZJLF-HNNXBMFYSA-N 0 3 306.425 2.461 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099975857 792425938 /nfs/dbraw/zinc/42/59/38/792425938.db2.gz IBRPUNGICBPWKW-DLBZAZTESA-N 0 3 302.418 2.094 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001100191601 792508080 /nfs/dbraw/zinc/50/80/80/792508080.db2.gz QSINWRVJUJXTHK-XGNXJENSSA-N 0 3 318.421 2.251 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC001100299978 792574296 /nfs/dbraw/zinc/57/42/96/792574296.db2.gz HCXKUHCIMSGZMT-GPANFISMSA-N 0 3 318.367 2.178 20 30 DEEDHN Cc1nc(C)c(CNC2CC(CNC(=O)C#CC(C)(C)C)C2)o1 ZINC001100317471 792588565 /nfs/dbraw/zinc/58/85/65/792588565.db2.gz WQORCSQZRFVBMP-UHFFFAOYSA-N 0 3 317.433 2.325 20 30 DEEDHN CC1(C(=O)NCC2CC(NCC#Cc3ccc(F)cc3)C2)CC1 ZINC001100349904 792605244 /nfs/dbraw/zinc/60/52/44/792605244.db2.gz GVPYWQMDSNUUHH-UHFFFAOYSA-N 0 3 314.404 2.462 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001100373685 792619333 /nfs/dbraw/zinc/61/93/33/792619333.db2.gz HCSMBFVUBNHRKJ-HSBZDZAISA-N 0 3 319.453 2.269 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(COCC)CC2)C1 ZINC001100460120 792665354 /nfs/dbraw/zinc/66/53/54/792665354.db2.gz QFHYIPZMLVDILS-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001100568943 792725334 /nfs/dbraw/zinc/72/53/34/792725334.db2.gz DZIQQDIEWBCGRW-HIFPTAJRSA-N 0 3 319.453 2.125 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2cncc(F)c2)C1 ZINC001100591350 792737487 /nfs/dbraw/zinc/73/74/87/792737487.db2.gz VHPGDDHEWXIWCJ-UHFFFAOYSA-N 0 3 317.408 2.399 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100596828 792741245 /nfs/dbraw/zinc/74/12/45/792741245.db2.gz FPJHBRGQJSPOCK-FHERZECASA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2cc(C)on2)C1 ZINC001100667874 792779683 /nfs/dbraw/zinc/77/96/83/792779683.db2.gz JAQSXCBQKSAFRP-UHFFFAOYSA-N 0 3 311.813 2.153 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100711358 792805872 /nfs/dbraw/zinc/80/58/72/792805872.db2.gz LMLDJLZAOYVXET-UHFFFAOYSA-N 0 3 322.478 2.433 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001100992583 792958588 /nfs/dbraw/zinc/95/85/88/792958588.db2.gz BTNRPOCIHYRZHZ-HSBZDZAISA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)CC(C)C)c2)C1 ZINC001101088119 793011363 /nfs/dbraw/zinc/01/13/63/793011363.db2.gz BXSSIQUFJHNYLG-QGZVFWFLSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)OCCCCCC)C[C@]2(C)C1 ZINC001101233363 793078004 /nfs/dbraw/zinc/07/80/04/793078004.db2.gz IIONVJQABRTPSC-LMMKCTJWSA-N 0 3 320.477 2.385 20 30 DEEDHN CCC(C)(CC)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101467187 793170281 /nfs/dbraw/zinc/17/02/81/793170281.db2.gz MBEGSWQHVGBDFM-APWZRJJASA-N 0 3 320.477 2.243 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(C(C)(C)CNCc2ccon2)CC1 ZINC001101522223 793205317 /nfs/dbraw/zinc/20/53/17/793205317.db2.gz QKXVJBIVZKZDDN-CYBMUJFWSA-N 0 3 318.421 2.189 20 30 DEEDHN N=C(N[C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccc2ccccc2n1 ZINC001172165628 793357284 /nfs/dbraw/zinc/35/72/84/793357284.db2.gz PCLDTFCEAAWKGE-KGLIPLIRSA-N 0 3 308.385 2.094 20 30 DEEDHN C=CCN1CCC[C@H](N[C@@H]2CSc3ccccc3C2)C1=O ZINC001172201162 793378213 /nfs/dbraw/zinc/37/82/13/793378213.db2.gz MVQOGNNXIGGJJC-GJZGRUSLSA-N 0 3 302.443 2.470 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2ccccc2F)C[C@H]1C ZINC001101822323 793394952 /nfs/dbraw/zinc/39/49/52/793394952.db2.gz LYWRHJFOYPFYPF-GZBFAFLISA-N 0 3 303.381 2.169 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@H]3COC(C)(C)C3)C2)CC1 ZINC001172284224 793401723 /nfs/dbraw/zinc/40/17/23/793401723.db2.gz PQLTUUSDTJBCDU-CQSZACIVSA-N 0 3 308.422 2.274 20 30 DEEDHN CCC(=CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C)CC ZINC001101873732 793421589 /nfs/dbraw/zinc/42/15/89/793421589.db2.gz WRDQMBVALDDWPE-NVXWUHKLSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001150047593 793439558 /nfs/dbraw/zinc/43/95/58/793439558.db2.gz NOMGRSASHIRCKY-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001102226414 793535966 /nfs/dbraw/zinc/53/59/66/793535966.db2.gz ONJNFWKBQYAUPK-GDBMZVCRSA-N 0 3 301.434 2.478 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001102231473 793538089 /nfs/dbraw/zinc/53/80/89/793538089.db2.gz KJEKYYAZIDSTAP-NXHRZFHOSA-N 0 3 316.420 2.470 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102260998 793547770 /nfs/dbraw/zinc/54/77/70/793547770.db2.gz KSIZJNIKAWDTNM-ARFHVFGLSA-N 0 3 318.465 2.207 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC[C@H](O)CC2)C[C@H]1C#N ZINC001172980701 793550283 /nfs/dbraw/zinc/55/02/83/793550283.db2.gz OWGLCVVJTFVHNL-ILXRZTDVSA-N 0 3 323.437 2.125 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C2CCC=CCC2)[C@H](C)C1 ZINC001102581645 793662771 /nfs/dbraw/zinc/66/27/71/793662771.db2.gz ZCOFQAAZLARBFA-SJLPKXTDSA-N 0 3 318.461 2.067 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2nn(C)cc2C)C1 ZINC001102968252 793844491 /nfs/dbraw/zinc/84/44/91/793844491.db2.gz TXHALINYOYKXMX-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2cccc(C)c2)C1 ZINC001150248173 793850903 /nfs/dbraw/zinc/85/09/03/793850903.db2.gz SEBZZLDZWXXJKP-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCN[C@H](C)c1nncn1C ZINC001174682163 794039653 /nfs/dbraw/zinc/03/96/53/794039653.db2.gz JPRWLMOASHHTHM-ZIAGYGMSSA-N 0 3 321.469 2.353 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174684371 794040018 /nfs/dbraw/zinc/04/00/18/794040018.db2.gz ZSVBBSUFWSAILT-GFCCVEGCSA-N 0 3 307.442 2.090 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001175080922 794136453 /nfs/dbraw/zinc/13/64/53/794136453.db2.gz BEMSNFMGIBHCKG-SUMWQHHRSA-N 0 3 321.469 2.480 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110186121 794192696 /nfs/dbraw/zinc/19/26/96/794192696.db2.gz WNRMIIBCJNXVSM-NCOADZHNSA-N 0 3 324.465 2.114 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C ZINC001103857558 794264347 /nfs/dbraw/zinc/26/43/47/794264347.db2.gz GYAUOEKZEAFDEY-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1C ZINC001103976438 794334147 /nfs/dbraw/zinc/33/41/47/794334147.db2.gz NNUOCGUUFAAPQS-MRVWCRGKSA-N 0 3 302.846 2.238 20 30 DEEDHN Cc1csc(CNCC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)n1 ZINC001104004766 794342894 /nfs/dbraw/zinc/34/28/94/794342894.db2.gz LDKLWGIXNSKUMX-YRGRVCCFSA-N 0 3 320.462 2.185 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1C ZINC001104133346 794392260 /nfs/dbraw/zinc/39/22/60/794392260.db2.gz UKLSMWMPNIAEIJ-TZMCWYRMSA-N 0 3 324.856 2.169 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H](CC)SC)C[C@H]1C(F)(F)F ZINC001112083047 794557345 /nfs/dbraw/zinc/55/73/45/794557345.db2.gz ZYIQHWNFMZYOGK-UTUOFQBUSA-N 0 3 322.396 2.130 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc2onc(CC)c2c1 ZINC001177020915 794560250 /nfs/dbraw/zinc/56/02/50/794560250.db2.gz HNWGBZUQCOZICL-UHFFFAOYSA-N 0 3 322.796 2.247 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1C(F)(F)F ZINC001112143682 794563754 /nfs/dbraw/zinc/56/37/54/794563754.db2.gz FUYNGZCBDQUQLY-CHWSQXEVSA-N 0 3 314.307 2.204 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1C(F)(F)F ZINC001112171525 794567643 /nfs/dbraw/zinc/56/76/43/794567643.db2.gz MZTJAUOWEMIMCC-YNEHKIRRSA-N 0 3 314.351 2.179 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC001177468642 794672465 /nfs/dbraw/zinc/67/24/65/794672465.db2.gz UYKAGLKWBYNPPL-WFASDCNBSA-N 0 3 308.809 2.400 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(NC(C)=O)ccc1C ZINC001177555994 794696735 /nfs/dbraw/zinc/69/67/35/794696735.db2.gz INKOCABGLSXWIQ-UHFFFAOYSA-N 0 3 323.824 2.415 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001115332277 794738154 /nfs/dbraw/zinc/73/81/54/794738154.db2.gz MENDKPWMTFIAEK-OJLVUWQFSA-N 0 3 320.458 2.194 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccon2)CCCCC1 ZINC001115456328 794779605 /nfs/dbraw/zinc/77/96/05/794779605.db2.gz JSLRHVOYRXOQLJ-UHFFFAOYSA-N 0 3 311.813 2.378 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001178339012 794891163 /nfs/dbraw/zinc/89/11/63/794891163.db2.gz PVFXRTKEOMBSMU-YOEHRIQHSA-N 0 3 320.408 2.416 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccnc(OC)c2)[C@@H]1C ZINC001178320548 794899601 /nfs/dbraw/zinc/89/96/01/794899601.db2.gz XLLKPWAXHWLFRD-ZFWWWQNUSA-N 0 3 303.406 2.135 20 30 DEEDHN C#CCOc1ccccc1CNCCC(=O)N1CCC[C@H](C)C1 ZINC001116014958 794936249 /nfs/dbraw/zinc/93/62/49/794936249.db2.gz GELDQAAZUIYUTA-INIZCTEOSA-N 0 3 314.429 2.437 20 30 DEEDHN C#CCN(C(=O)Cc1nc(C2CC2)cs1)C1CCN(C)CC1 ZINC001178739805 794987534 /nfs/dbraw/zinc/98/75/34/794987534.db2.gz ROYJTQVHCVQWHB-UHFFFAOYSA-N 0 3 317.458 2.119 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc(F)cc(F)c1F ZINC001179844981 795187711 /nfs/dbraw/zinc/18/77/11/795187711.db2.gz BLOVJHCQLLPTCG-ZDUSSCGKSA-N 0 3 312.335 2.413 20 30 DEEDHN CCN(CC)CC(=O)N1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001180388823 795287838 /nfs/dbraw/zinc/28/78/38/795287838.db2.gz AERPDCYGZVBYGQ-QGZVFWFLSA-N 0 3 315.417 2.270 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cn2ccnc2)CCCCC1 ZINC001120248559 795428383 /nfs/dbraw/zinc/42/83/83/795428383.db2.gz FCOOGSGLQXUCOK-UHFFFAOYSA-N 0 3 310.829 2.044 20 30 DEEDHN N#Cc1cccc(CNCCCNC(=O)/C=C\c2ccccc2)n1 ZINC001181205112 795438004 /nfs/dbraw/zinc/43/80/04/795438004.db2.gz IZAUIBGFASAZJR-KHPPLWFESA-N 0 3 320.396 2.263 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC1(CCOC)CCN(CC=C)CC1 ZINC001151021325 795442729 /nfs/dbraw/zinc/44/27/29/795442729.db2.gz PXGNUHMIKWRIFU-INIZCTEOSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cn(C(C)C)nc2C)C1 ZINC001181534765 795488451 /nfs/dbraw/zinc/48/84/51/795488451.db2.gz CKAPJHXACLBGEQ-MRXNPFEDSA-N 0 3 304.438 2.429 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001181599997 795501921 /nfs/dbraw/zinc/50/19/21/795501921.db2.gz UWHYOMCAYSYSHM-TZMCWYRMSA-N 0 3 324.371 2.419 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3conc3C)C2)C1 ZINC001120787319 795530993 /nfs/dbraw/zinc/53/09/93/795530993.db2.gz JCXYIQYIAWJRMY-UHFFFAOYSA-N 0 3 303.406 2.466 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2ccccc2N(C)C)C1 ZINC001182373489 795662365 /nfs/dbraw/zinc/66/23/65/795662365.db2.gz XVSNKCNFDXOQPJ-QGZVFWFLSA-N 0 3 313.445 2.103 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001121897888 795700927 /nfs/dbraw/zinc/70/09/27/795700927.db2.gz QDKGXVORVUSEPF-QGZVFWFLSA-N 0 3 301.434 2.014 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC001122029447 795718530 /nfs/dbraw/zinc/71/85/30/795718530.db2.gz WYGGLFXSVBHJMZ-GJZGRUSLSA-N 0 3 319.453 2.249 20 30 DEEDHN C=CCn1ncc2ccc(NC(=O)[C@H](N)CCSC)cc21 ZINC001122228165 795737782 /nfs/dbraw/zinc/73/77/82/795737782.db2.gz WIOMGGCEKIHTSJ-CYBMUJFWSA-N 0 3 304.419 2.241 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001122266818 795741261 /nfs/dbraw/zinc/74/12/61/795741261.db2.gz HNOQNZMEFAHFAJ-CABZTGNLSA-N 0 3 311.769 2.284 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001182841885 795767014 /nfs/dbraw/zinc/76/70/14/795767014.db2.gz WZNJTEIYPXLHSS-QGZVFWFLSA-N 0 3 316.449 2.187 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1cnc(Cl)nc1Cl ZINC001183039573 795793753 /nfs/dbraw/zinc/79/37/53/795793753.db2.gz RXBKNYRJWCSHFU-UHFFFAOYSA-N 0 3 301.177 2.374 20 30 DEEDHN CN1CCC[C@H]2CN(C(=O)C3(c4ccccc4C#N)CC3)C[C@@H]21 ZINC001183293053 795846025 /nfs/dbraw/zinc/84/60/25/795846025.db2.gz JFMXXQMGDDQQHV-RDJZCZTQSA-N 0 3 309.413 2.142 20 30 DEEDHN C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183900346 795952953 /nfs/dbraw/zinc/95/29/53/795952953.db2.gz VPZWSAQIZDTOSO-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001184015504 795973906 /nfs/dbraw/zinc/97/39/06/795973906.db2.gz XNIIDCNHQVEJEE-QGZVFWFLSA-N 0 3 307.397 2.305 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2cnns2)[C@@H](C)C1 ZINC001185061233 796172779 /nfs/dbraw/zinc/17/27/79/796172779.db2.gz KKAZYONFUHTQRY-KBPBESRZSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](C)[C@H]2CO)cc1OC ZINC001138343567 796201780 /nfs/dbraw/zinc/20/17/80/796201780.db2.gz MRCJQDVGMQBODH-GOEBONIOSA-N 0 3 303.402 2.300 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1OC ZINC001138348313 796202538 /nfs/dbraw/zinc/20/25/38/796202538.db2.gz QSIPHAZDQWFNSX-SFHVURJKSA-N 0 3 317.385 2.092 20 30 DEEDHN C#CCOc1ccc(CN2C[C@@H]3CC[C@H](C2)C3C(=O)OC)cc1 ZINC001138558057 796235385 /nfs/dbraw/zinc/23/53/85/796235385.db2.gz YOKGNLJPUOTMOJ-BYICEURKSA-N 0 3 313.397 2.330 20 30 DEEDHN C=CCc1cccc(CN2CCN(c3ccncn3)CC2)c1O ZINC001138630465 796247016 /nfs/dbraw/zinc/24/70/16/796247016.db2.gz XJBCXMKYIHKBMV-UHFFFAOYSA-N 0 3 310.401 2.233 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001186129337 796364850 /nfs/dbraw/zinc/36/48/50/796364850.db2.gz GMKAPTXJHZXZQZ-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cccc2c(CN3CCC[C@H](n4cncn4)C3)c[nH]c21 ZINC001139706507 796413668 /nfs/dbraw/zinc/41/36/68/796413668.db2.gz WVYQMMSHBJSRHG-HNNXBMFYSA-N 0 3 306.373 2.468 20 30 DEEDHN C=CCn1cc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)cn1 ZINC001139770107 796424984 /nfs/dbraw/zinc/42/49/84/796424984.db2.gz CUFCVGYNWNBMTD-KRWDZBQOSA-N 0 3 316.449 2.294 20 30 DEEDHN CCCCCC[C@@H](F)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001187099878 796489103 /nfs/dbraw/zinc/48/91/03/796489103.db2.gz SRUWHSSNXAYYNI-HZPDHXFCSA-N 0 3 312.429 2.135 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001187591436 796551711 /nfs/dbraw/zinc/55/17/11/796551711.db2.gz LUQGLBPMBZQGFJ-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1nccnc1C)C2 ZINC001140936520 796601628 /nfs/dbraw/zinc/60/16/28/796601628.db2.gz QUGYZAGZMZUGCH-ROUUACIJSA-N 0 3 317.433 2.359 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001187982618 796610443 /nfs/dbraw/zinc/61/04/43/796610443.db2.gz OSLOCNMUCZLMQT-MRXNPFEDSA-N 0 3 312.413 2.445 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1ccn3ccnc3c1)CC2 ZINC001141049095 796626966 /nfs/dbraw/zinc/62/69/66/796626966.db2.gz XHKCLGHKJYGYQG-UHFFFAOYSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cc(OC)ccc1OC ZINC001188366991 796662422 /nfs/dbraw/zinc/66/24/22/796662422.db2.gz NQYQAXJUNAJANQ-ZDUSSCGKSA-N 0 3 319.405 2.476 20 30 DEEDHN C=CCCCN1C[C@@H]2CCN(C(=O)c3snnc3CC)[C@@H]2C1 ZINC001188476080 796674799 /nfs/dbraw/zinc/67/47/99/796674799.db2.gz GIROTXROLZUFTR-GXTWGEPZSA-N 0 3 320.462 2.213 20 30 DEEDHN N#Cc1ccc(Br)c(CN2CCN3CC[C@H]3C2)c1 ZINC001141664375 796683461 /nfs/dbraw/zinc/68/34/61/796683461.db2.gz JFWLCKFZKLYMHD-ZDUSSCGKSA-N 0 3 306.207 2.211 20 30 DEEDHN CSc1nc(CN2CCN3CCCC[C@H]3C2)ccc1C#N ZINC001141938526 796699361 /nfs/dbraw/zinc/69/93/61/796699361.db2.gz DXBZIEVEXDSFSI-HNNXBMFYSA-N 0 3 302.447 2.345 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001189557217 796844604 /nfs/dbraw/zinc/84/46/04/796844604.db2.gz RPYYTDOHZITAHQ-CQSZACIVSA-N 0 3 308.466 2.404 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1CN(CC2=CCCCC2)CCCO1 ZINC001149694385 796887559 /nfs/dbraw/zinc/88/75/59/796887559.db2.gz NWYLVHXQNOBFDR-SFHVURJKSA-N 0 3 316.445 2.107 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2ccccc2F)s1 ZINC001149697730 796887985 /nfs/dbraw/zinc/88/79/85/796887985.db2.gz KRXXTHIXYSLUIX-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCOc3cccc(C)c3)[C@@H]2C1 ZINC001190140089 796937515 /nfs/dbraw/zinc/93/75/15/796937515.db2.gz LRMCFPDPVTXRED-FUHWJXTLSA-N 0 3 314.429 2.483 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001150394883 796940663 /nfs/dbraw/zinc/94/06/63/796940663.db2.gz NKXMCKYDRRSZOR-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001150572757 796955749 /nfs/dbraw/zinc/95/57/49/796955749.db2.gz UGOHKMUKLJILMT-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001150572760 796955766 /nfs/dbraw/zinc/95/57/66/796955766.db2.gz UGOHKMUKLJILMT-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001150613890 796961407 /nfs/dbraw/zinc/96/14/07/796961407.db2.gz OPFGILSPGMPCEU-AEFFLSMTSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CC(F)(F)C(F)(F)F)[C@@H]2C1 ZINC001190535917 797021485 /nfs/dbraw/zinc/02/14/85/797021485.db2.gz VWFDCGBJFZYWLX-VHSXEESVSA-N 0 3 312.282 2.293 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](C)CC(F)F)CC1 ZINC001151216598 797022022 /nfs/dbraw/zinc/02/20/22/797022022.db2.gz WAIMYAMYPWRRRI-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@H](N(C)C[C@@H]3CCCCO3)C2)CCC1 ZINC001190605727 797040706 /nfs/dbraw/zinc/04/07/06/797040706.db2.gz ZHRFMBOUSFLFIE-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001191304325 797175067 /nfs/dbraw/zinc/17/50/67/797175067.db2.gz XWWOHXAMBZJZHB-ARFHVFGLSA-N 0 3 308.466 2.404 20 30 DEEDHN CCN(Cc1ccc(F)c(F)c1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414277 797184751 /nfs/dbraw/zinc/18/47/51/797184751.db2.gz YQPPHRWUTKUQCU-VXGBXAGGSA-N 0 3 309.360 2.451 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001191416173 797197280 /nfs/dbraw/zinc/19/72/80/797197280.db2.gz NOFKNGKQBYIQSM-OMCKNOPTSA-N 0 3 306.450 2.250 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CSC)C1 ZINC001191814421 797260601 /nfs/dbraw/zinc/26/06/01/797260601.db2.gz GDZBUCJCKNSBAO-RBSFLKMASA-N 0 3 316.511 2.117 20 30 DEEDHN CCOCCCCCC(=O)NCCNCc1cccc(C#N)c1 ZINC001153037057 797273882 /nfs/dbraw/zinc/27/38/82/797273882.db2.gz DSSCPPAXIDYZAX-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCOCC(F)(F)F)C1 ZINC001192061917 797316325 /nfs/dbraw/zinc/31/63/25/797316325.db2.gz XFHJRLWZHHKRHJ-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001192093800 797324455 /nfs/dbraw/zinc/32/44/55/797324455.db2.gz NPZPJXASUJHDPN-HNNXBMFYSA-N 0 3 324.856 2.426 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001192169668 797330749 /nfs/dbraw/zinc/33/07/49/797330749.db2.gz CHONCOGIFCGJOU-UYSNPLJNSA-N 0 3 312.429 2.250 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@H](N(C)CCn3cccn3)C2)CC1 ZINC001192207804 797337738 /nfs/dbraw/zinc/33/77/38/797337738.db2.gz ZPGIAUZIAZBEOT-INIZCTEOSA-N 0 3 316.449 2.162 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 ZINC001192312927 797359312 /nfs/dbraw/zinc/35/93/12/797359312.db2.gz JVFNNFAVZJFUKO-RBSFLKMASA-N 0 3 314.495 2.036 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccn(CC(C)C)n1 ZINC001153647259 797370579 /nfs/dbraw/zinc/37/05/79/797370579.db2.gz XTTMEYABMXQHOC-OAHLLOKOSA-N 0 3 304.438 2.003 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC(C)C)nc1 ZINC001153727963 797382838 /nfs/dbraw/zinc/38/28/38/797382838.db2.gz IWDLTGGXXZOWRQ-OAHLLOKOSA-N 0 3 317.433 2.332 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC001192621165 797425728 /nfs/dbraw/zinc/42/57/28/797425728.db2.gz FUGXTEAGEGSYPY-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(OCC=C)cc1 ZINC001154053030 797452327 /nfs/dbraw/zinc/45/23/27/797452327.db2.gz HJKFMSDFDRYKCU-OAHLLOKOSA-N 0 3 300.402 2.325 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCN(C)c2ccccc2)C1 ZINC001192917089 797471349 /nfs/dbraw/zinc/47/13/49/797471349.db2.gz JFKNYJGJQZZKFG-KRWDZBQOSA-N 0 3 301.434 2.232 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2c(cn1)CCCC2 ZINC001154257012 797498084 /nfs/dbraw/zinc/49/80/84/797498084.db2.gz BGRKXSLNJMHNTK-OAHLLOKOSA-N 0 3 313.445 2.424 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ncoc2C(C)C)C1 ZINC001193302215 797541665 /nfs/dbraw/zinc/54/16/65/797541665.db2.gz RPJIDQMUDWHMFD-AWEZNQCLSA-N 0 3 321.421 2.147 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)c1cnco1 ZINC001154512765 797549277 /nfs/dbraw/zinc/54/92/77/797549277.db2.gz SAXRFOOIUYLMMS-CYBMUJFWSA-N 0 3 312.373 2.187 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1cc(Cl)c[nH]1 ZINC001154567223 797563122 /nfs/dbraw/zinc/56/31/22/797563122.db2.gz JYKSUJCUGZADIB-UHFFFAOYSA-N 0 3 316.792 2.449 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001154580118 797566594 /nfs/dbraw/zinc/56/65/94/797566594.db2.gz POPLUVWOFKPTET-CQSZACIVSA-N 0 3 315.889 2.440 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC1(C)C ZINC001154693711 797592054 /nfs/dbraw/zinc/59/20/54/797592054.db2.gz TUPOQBMPLLCWQX-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1cccc(N(C)C)c1 ZINC001154784534 797610386 /nfs/dbraw/zinc/61/03/86/797610386.db2.gz HPQHYCBXZNOUKZ-MRXNPFEDSA-N 0 3 315.461 2.145 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CSCCC ZINC001155152525 797695053 /nfs/dbraw/zinc/69/50/53/797695053.db2.gz IISDHSAQRQVYFW-UHFFFAOYSA-N 0 3 309.273 2.134 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)CCOC)C2)CCCCC1 ZINC001194368384 797714784 /nfs/dbraw/zinc/71/47/84/797714784.db2.gz RWJLJBGTAGWTQS-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](OCC)c2ccccc2)C1 ZINC001194420170 797725032 /nfs/dbraw/zinc/72/50/32/797725032.db2.gz OPDJIGQUQVBGHL-IAGOWNOFSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(F)s2)C1 ZINC001194430190 797731037 /nfs/dbraw/zinc/73/10/37/797731037.db2.gz SMOHPOQBGZYIOU-LBPRGKRZSA-N 0 3 312.410 2.236 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001194546324 797743659 /nfs/dbraw/zinc/74/36/59/797743659.db2.gz WPMHXDPSJZOACA-HUUCEWRRSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1nc(C)cs1 ZINC001155426389 797755078 /nfs/dbraw/zinc/75/50/78/797755078.db2.gz ATBFEMXUGFLDIP-ZDUSSCGKSA-N 0 3 311.451 2.029 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)OC[C@H](C)CC)CC1 ZINC001194796655 797775415 /nfs/dbraw/zinc/77/54/15/797775415.db2.gz STUNSAVTIHASNE-QGZVFWFLSA-N 0 3 323.481 2.461 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c(OCC)c1 ZINC001155601885 797802436 /nfs/dbraw/zinc/80/24/36/797802436.db2.gz ODNNQQJGPSZOCB-OAHLLOKOSA-N 0 3 302.418 2.467 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCN(CCCCC2CCOCC2)CC1 ZINC001195314243 797879305 /nfs/dbraw/zinc/87/93/05/797879305.db2.gz JSNXVBSSWDSFAB-INIZCTEOSA-N 0 3 321.465 2.277 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001155980069 797896272 /nfs/dbraw/zinc/89/62/72/797896272.db2.gz OAVIWVYMSLXRAW-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001195542213 797923086 /nfs/dbraw/zinc/92/30/86/797923086.db2.gz KFAMQQDUBYCONX-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2cc(OC)no2)CC1 ZINC001195549702 797923714 /nfs/dbraw/zinc/92/37/14/797923714.db2.gz NZTWCHJDAQUTGI-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)C)nn1C ZINC001156167448 797937173 /nfs/dbraw/zinc/93/71/73/797937173.db2.gz FAVNNAKBOXVQPF-CQSZACIVSA-N 0 3 304.438 2.007 20 30 DEEDHN CC(C)OCCCN1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780755 797960358 /nfs/dbraw/zinc/96/03/58/797960358.db2.gz JFANVEIPUCDNSV-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195924035 797983692 /nfs/dbraw/zinc/98/36/92/797983692.db2.gz QXBMOWXIKGWDLG-DWQGIKRDSA-N 0 3 308.466 2.496 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=S)Nc3ccccc3C#N)C[C@H]21 ZINC001196314207 798033257 /nfs/dbraw/zinc/03/32/57/798033257.db2.gz TZHAKOBGFSKUGI-UKRRQHHQSA-N 0 3 300.431 2.281 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1c(F)cccc1Cl ZINC001156579282 798033424 /nfs/dbraw/zinc/03/34/24/798033424.db2.gz OOZKJLCWQCGOPX-GFCCVEGCSA-N 0 3 310.800 2.481 20 30 DEEDHN N#Cc1ccc(C(=O)NCCCNCc2cc(F)ccc2F)[nH]1 ZINC001156703247 798066182 /nfs/dbraw/zinc/06/61/82/798066182.db2.gz IMEVVWDDWUDIQG-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccccc1 ZINC001156717847 798069482 /nfs/dbraw/zinc/06/94/82/798069482.db2.gz XGLTUMJCIPFURJ-CVEARBPZSA-N 0 3 302.418 2.304 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCOc1ccccc1 ZINC001156751362 798077137 /nfs/dbraw/zinc/07/71/37/798077137.db2.gz SRQUUNSTCQRWDL-MRXNPFEDSA-N 0 3 302.418 2.305 20 30 DEEDHN C=C(C)C(=O)NCCCNc1ncccc1CN1CCCC1 ZINC001156826493 798089883 /nfs/dbraw/zinc/08/98/83/798089883.db2.gz YLNXHBNONSYXAR-UHFFFAOYSA-N 0 3 302.422 2.172 20 30 DEEDHN N#Cc1ccc2ncnc(-n3nc(CN)c4ccccc43)c2c1 ZINC001156855867 798095603 /nfs/dbraw/zinc/09/56/03/798095603.db2.gz JXWQTBHUQZDPPP-UHFFFAOYSA-N 0 3 300.325 2.299 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1cccc(C)c1 ZINC001156862708 798097633 /nfs/dbraw/zinc/09/76/33/798097633.db2.gz BFXISBQBTMUMOH-MRXNPFEDSA-N 0 3 302.418 2.224 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1cc(F)ccc1F ZINC001157108951 798144803 /nfs/dbraw/zinc/14/48/03/798144803.db2.gz FBVROTQTRVDMMW-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001157224367 798165763 /nfs/dbraw/zinc/16/57/63/798165763.db2.gz WGNIAZKYBPJKQT-HUUCEWRRSA-N 0 3 304.409 2.464 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(N(C)CC)cc1 ZINC001157307872 798180701 /nfs/dbraw/zinc/18/07/01/798180701.db2.gz UTEHIJBIZFEKOX-OAHLLOKOSA-N 0 3 301.434 2.216 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001197479440 798193305 /nfs/dbraw/zinc/19/33/05/798193305.db2.gz XMFHEDVQRGHCEQ-RRFJBIMHSA-N 0 3 312.429 2.175 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001197768795 798235786 /nfs/dbraw/zinc/23/57/86/798235786.db2.gz FKKYNFVPWNJKQC-RRFJBIMHSA-N 0 3 322.474 2.288 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CCOCC1CCC1 ZINC001157695939 798261264 /nfs/dbraw/zinc/26/12/64/798261264.db2.gz LCHSXMSKHHBBSS-NVXWUHKLSA-N 0 3 321.465 2.276 20 30 DEEDHN Cc1nc(C(C)C)oc1CNCCCNC(=O)C#CC1CC1 ZINC001157705174 798262545 /nfs/dbraw/zinc/26/25/45/798262545.db2.gz OLKCCIMHCVUAHX-UHFFFAOYSA-N 0 3 303.406 2.116 20 30 DEEDHN CCOc1cccc(CNCCCNC(=O)C#CC(C)(C)C)n1 ZINC001157719286 798265858 /nfs/dbraw/zinc/26/58/58/798265858.db2.gz WNPJWUDTAZAJLE-UHFFFAOYSA-N 0 3 317.433 2.126 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1cc(C)ccc1F ZINC001158067746 798336433 /nfs/dbraw/zinc/33/64/33/798336433.db2.gz ZFPNPGTUTUXOBJ-UHFFFAOYSA-N 0 3 314.788 2.361 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2n(n1)CCCC2 ZINC001158113889 798345680 /nfs/dbraw/zinc/34/56/80/798345680.db2.gz ZFFNMRCYNPUGSN-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN CC#CCN(C)C[C@H]1CCCCN1C(=O)c1ccn2cncc2c1 ZINC001158186502 798355709 /nfs/dbraw/zinc/35/57/09/798355709.db2.gz SCZLQWXLBFYGMI-QGZVFWFLSA-N 0 3 324.428 2.284 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](NCC1CC1)c1ccccc1OC ZINC001198606990 798366099 /nfs/dbraw/zinc/36/60/99/798366099.db2.gz XLBFTTGXBUHJTO-MRXNPFEDSA-N 0 3 318.417 2.055 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@H](C)C#N)c1ccccc1OC ZINC001198615804 798366956 /nfs/dbraw/zinc/36/69/56/798366956.db2.gz BZFCGCYQQYEXOI-HIFRSBDPSA-N 0 3 301.390 2.178 20 30 DEEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncn(C)n1)C2 ZINC001110519464 798405280 /nfs/dbraw/zinc/40/52/80/798405280.db2.gz WSSRYZWMPVAIQF-KFWWJZLASA-N 0 3 319.453 2.121 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001158501530 798419234 /nfs/dbraw/zinc/41/92/34/798419234.db2.gz HAODKQZGBVJLEJ-IXDOHACOSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(F)cc1F ZINC001158514711 798420022 /nfs/dbraw/zinc/42/00/22/798420022.db2.gz NZTXNCJDMDFBDM-UHFFFAOYSA-N 0 3 302.752 2.356 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](NCC)c2ccccc2OC)cn1 ZINC001198960490 798420224 /nfs/dbraw/zinc/42/02/24/798420224.db2.gz HXCNKADKUSXROA-QGZVFWFLSA-N 0 3 323.396 2.152 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cn(CC)nc1C ZINC001158529373 798422672 /nfs/dbraw/zinc/42/26/72/798422672.db2.gz JRKWXMALFHCOGM-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001199001515 798428872 /nfs/dbraw/zinc/42/88/72/798428872.db2.gz GNLQGMMDKLFLRA-GOEBONIOSA-N 0 3 320.433 2.442 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)nc(C)n1 ZINC001158598049 798434972 /nfs/dbraw/zinc/43/49/72/798434972.db2.gz PZYBIRSARSKMDE-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1cccnc1OC ZINC001158746912 798462226 /nfs/dbraw/zinc/46/22/26/798462226.db2.gz LYCIUDIUGMHHOW-UHFFFAOYSA-N 0 3 317.433 2.455 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cnccc1N1CCCC1 ZINC001199371294 798476111 /nfs/dbraw/zinc/47/61/11/798476111.db2.gz QDMAKRNBEVXHHG-HNNXBMFYSA-N 0 3 314.433 2.062 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCc1snnc1C ZINC001158845151 798477881 /nfs/dbraw/zinc/47/78/81/798477881.db2.gz QMQLXMBLBBHSOX-UHFFFAOYSA-N 0 3 316.858 2.221 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001158894638 798485327 /nfs/dbraw/zinc/48/53/27/798485327.db2.gz OLEIMNGODDCITD-UHFFFAOYSA-N 0 3 318.465 2.418 20 30 DEEDHN C=C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)CCO)c1ccccc1 ZINC001158900637 798486630 /nfs/dbraw/zinc/48/66/30/798486630.db2.gz IJXYHCFBABLTTE-QZTJIDSGSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001199551002 798504110 /nfs/dbraw/zinc/50/41/10/798504110.db2.gz HYNULDRXVGAHGP-HZPDHXFCSA-N 0 3 322.474 2.117 20 30 DEEDHN C=C(C)CCC(=O)NCCC[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001159032699 798510212 /nfs/dbraw/zinc/51/02/12/798510212.db2.gz QPSYNFSJCUTILM-UHFFFAOYSA-N 0 3 318.421 2.012 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2cncc(C)c2)C1 ZINC001200084139 798587229 /nfs/dbraw/zinc/58/72/29/798587229.db2.gz TUDPBGUHQFJQTD-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN COC[C@H](C)[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001159686739 798596254 /nfs/dbraw/zinc/59/62/54/798596254.db2.gz VNMWWUDVIKOWKV-GJZGRUSLSA-N 0 3 317.433 2.073 20 30 DEEDHN C#CCCCCC(=O)N1CCCO[C@H](CNC/C=C\Cl)C1 ZINC001200322831 798615292 /nfs/dbraw/zinc/61/52/92/798615292.db2.gz SYZFDNNALCEKOO-WUKHSURWSA-N 0 3 312.841 2.140 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccnn2CC(F)F)CC1 ZINC001160125451 798650601 /nfs/dbraw/zinc/65/06/01/798650601.db2.gz GEOVCYWGGOMGOC-UHFFFAOYSA-N 0 3 324.375 2.086 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@H](CNC[C@@H](F)CC)C1 ZINC001200627570 798657871 /nfs/dbraw/zinc/65/78/71/798657871.db2.gz MDPFMLLYQQIMCH-LSDHHAIUSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(N[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001200794557 798681925 /nfs/dbraw/zinc/68/19/25/798681925.db2.gz KLUYKQRWDAJTIZ-GFCCVEGCSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C(F)(F)F)no1 ZINC001160534401 798702004 /nfs/dbraw/zinc/70/20/04/798702004.db2.gz JZDWVXHGESOWCM-UHFFFAOYSA-N 0 3 311.691 2.155 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc2n1CCCCC2 ZINC001160844653 798749601 /nfs/dbraw/zinc/74/96/01/798749601.db2.gz PAGMEJSXLNLJGB-UHFFFAOYSA-N 0 3 310.829 2.072 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1[nH]c(C)cc1C ZINC001161059584 798789118 /nfs/dbraw/zinc/78/91/18/798789118.db2.gz CIAMEZDQIMAVAX-UHFFFAOYSA-N 0 3 314.227 2.250 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](CC)CC(C)C)CCCO1 ZINC001201808375 798800174 /nfs/dbraw/zinc/80/01/74/798800174.db2.gz CLWQCKWCXIYVRG-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN CCCCCCCN1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001201776787 798801207 /nfs/dbraw/zinc/80/12/07/798801207.db2.gz LJCVRKUEPMPCRV-UHFFFAOYSA-N 0 3 320.481 2.481 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H](CC)C(C)(C)C)CCCO1 ZINC001201849047 798804202 /nfs/dbraw/zinc/80/42/02/798804202.db2.gz SKOMQEJCIHFWJR-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(C)c(C)c2)CCCO1 ZINC001201983754 798813269 /nfs/dbraw/zinc/81/32/69/798813269.db2.gz UPPZWPLDNJFWFP-SFHVURJKSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cc(C)c(CC)s2)CCCO1 ZINC001202013901 798817206 /nfs/dbraw/zinc/81/72/06/798817206.db2.gz OALJEORJQVOSLD-AWEZNQCLSA-N 0 3 320.458 2.073 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2sccc2CC)CCCO1 ZINC001202126271 798830186 /nfs/dbraw/zinc/83/01/86/798830186.db2.gz SDEALPSWHVZWOI-OAHLLOKOSA-N 0 3 320.458 2.155 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnn(CCC)c2)CC1 ZINC001161356663 798836058 /nfs/dbraw/zinc/83/60/58/798836058.db2.gz YTERTVSJQODULZ-UHFFFAOYSA-N 0 3 302.422 2.231 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)CCCO1 ZINC001202174350 798836373 /nfs/dbraw/zinc/83/63/73/798836373.db2.gz RXORKPSBFFEKGO-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCC(C)=C(C)C2)CCCO1 ZINC001202182699 798837532 /nfs/dbraw/zinc/83/75/32/798837532.db2.gz ILLQLSUSOHKPKI-IEBWSBKVSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2c[nH]nc2C2CC2)CC1 ZINC001161622380 798898776 /nfs/dbraw/zinc/89/87/76/798898776.db2.gz NAKFFZZECQVUOK-UHFFFAOYSA-N 0 3 312.417 2.062 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2oc(CC)nc2C)CC1 ZINC001161640086 798901224 /nfs/dbraw/zinc/90/12/24/798901224.db2.gz SEBLRFZMIJUJGK-UHFFFAOYSA-N 0 3 303.406 2.483 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001161656384 798905282 /nfs/dbraw/zinc/90/52/82/798905282.db2.gz UTNNPLDGXPBEFI-MSOLQXFVSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC001161779555 798934666 /nfs/dbraw/zinc/93/46/66/798934666.db2.gz MTUXJQFGMICGRE-WMZOPIPTSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)CCc2cscn2)CC1 ZINC001161982991 798984594 /nfs/dbraw/zinc/98/45/94/798984594.db2.gz PNNRFGVJLAVATA-UHFFFAOYSA-N 0 3 305.447 2.400 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2coc(C)c2)(COC)CC1 ZINC001162229790 799038628 /nfs/dbraw/zinc/03/86/28/799038628.db2.gz FANDVVRYMCBMPG-UHFFFAOYSA-N 0 3 318.417 2.070 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cccc(C(C)C)c1 ZINC001114319754 799048792 /nfs/dbraw/zinc/04/87/92/799048792.db2.gz OMGIVWJNUOCAMM-DZFIZOCASA-N 0 3 314.429 2.421 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CSCC#N)C12CCC2 ZINC001202512343 799068444 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/nfs/dbraw/zinc/31/74/96/799317496.db2.gz KASTWIDWHURJLI-QGZVFWFLSA-N 0 3 323.437 2.062 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CCOC2)CC1 ZINC001163905849 799455050 /nfs/dbraw/zinc/45/50/50/799455050.db2.gz WHQICVHSRSUNGY-ZDUSSCGKSA-N 0 3 300.830 2.042 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCC(=O)Nc1ccccc1 ZINC001164213002 799540158 /nfs/dbraw/zinc/54/01/58/799540158.db2.gz BLDOKHMINZZKDI-LSDHHAIUSA-N 0 3 317.433 2.179 20 30 DEEDHN CC#CCCCC(=O)NCCCNCc1c(C)onc1CC ZINC001164262436 799555827 /nfs/dbraw/zinc/55/58/27/799555827.db2.gz DJBUXRWRJNUAEO-UHFFFAOYSA-N 0 3 305.422 2.335 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC001164380093 799589353 /nfs/dbraw/zinc/58/93/53/799589353.db2.gz GMIORUYIMDPDLT-FICVDOATSA-N 0 3 315.392 2.339 20 30 DEEDHN Cc1cc(CNCC2(CCNC(=O)C#CC(C)(C)C)CC2)on1 ZINC001164483004 799606980 /nfs/dbraw/zinc/60/69/80/799606980.db2.gz VFEHXRSSGGNJMR-UHFFFAOYSA-N 0 3 317.433 2.409 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)c(F)c1)C2 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ZINC001220602132 802479316 /nfs/dbraw/zinc/47/93/16/802479316.db2.gz RISFVIDQNXDEBX-IAGOWNOFSA-N 0 3 320.396 2.101 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001220879184 802507583 /nfs/dbraw/zinc/50/75/83/802507583.db2.gz JZUAAVHHHDDIOC-NEPJUHHUSA-N 0 3 322.371 2.093 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001220930608 802512449 /nfs/dbraw/zinc/51/24/49/802512449.db2.gz BGAQRNHHUVUFNT-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001221119373 802529798 /nfs/dbraw/zinc/52/97/98/802529798.db2.gz XWVBTEDTAXCISK-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)[C@@H](O)C1 ZINC001221122265 802531081 /nfs/dbraw/zinc/53/10/81/802531081.db2.gz LRHKVXAKZPNCLG-BBWFWOEESA-N 0 3 320.408 2.057 20 30 DEEDHN CC/C=C\CCN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 ZINC001221291598 802549818 /nfs/dbraw/zinc/54/98/18/802549818.db2.gz NIBDAYBOESKRPI-LPUOJRKPSA-N 0 3 307.463 2.132 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001221468046 802578514 /nfs/dbraw/zinc/57/85/14/802578514.db2.gz FFRCGULLTFLICR-IAGOWNOFSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCC1(C(=O)N2C[C@H]3CCN(C[C@H](CC)OC)C[C@H]32)CCC1 ZINC001221612128 802596344 /nfs/dbraw/zinc/59/63/44/802596344.db2.gz UUQQEUQZOZHAON-IXDOHACOSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCC(F)(F)F)[C@@H]2C1 ZINC001221829886 802619514 /nfs/dbraw/zinc/61/95/14/802619514.db2.gz KUQUDRNXSSFLAF-CHWSQXEVSA-N 0 3 302.340 2.275 20 30 DEEDHN CC(C)=CCN1CC[C@@H]2CCN(C(=O)CSCC#N)C[C@@H]21 ZINC001222306056 802668201 /nfs/dbraw/zinc/66/82/01/802668201.db2.gz ORWNGEPGPFFBNO-CABCVRRESA-N 0 3 307.463 2.132 20 30 DEEDHN C(#Cc1ccc(CN2CC3(C2)CNCCO3)cc1)c1ccccc1 ZINC001222442070 802686401 /nfs/dbraw/zinc/68/64/01/802686401.db2.gz ZVRUDRKJWXYRGK-UHFFFAOYSA-N 0 3 318.420 2.261 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2CCN(Cc3ccccn3)[C@H]2C1 ZINC001222613967 802717790 /nfs/dbraw/zinc/71/77/90/802717790.db2.gz RBZBRJHUHATVMJ-AEFFLSMTSA-N 0 3 311.429 2.308 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCOc3ccccc3)C[C@@H]21 ZINC001224128938 802838467 /nfs/dbraw/zinc/83/84/67/802838467.db2.gz AQSSKEWGESLHNE-AEFFLSMTSA-N 0 3 312.413 2.012 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@](C)(OC)c2ccccc2)CC1 ZINC001225200063 802943338 /nfs/dbraw/zinc/94/33/38/802943338.db2.gz XLMOHKJCGJWVNA-LJQANCHMSA-N 0 3 314.429 2.010 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ncn1 ZINC001225301411 802952970 /nfs/dbraw/zinc/95/29/70/802952970.db2.gz NLTUBIGNXAGYCN-HZPDHXFCSA-N 0 3 302.422 2.268 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)c(F)c3)C[C@H]1N2C ZINC001225355174 802957157 /nfs/dbraw/zinc/95/71/57/802957157.db2.gz UOFQKIDCRUCROC-SDNTUTLCSA-N 0 3 318.348 2.243 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC001225506891 802974746 /nfs/dbraw/zinc/97/47/46/802974746.db2.gz UCDHTJWGZHSEIB-AWEZNQCLSA-N 0 3 302.393 2.391 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](F)Cc2ccccc2)CC1 ZINC001225543523 802980147 /nfs/dbraw/zinc/98/01/47/802980147.db2.gz VTXZSELQTPNCLB-GOSISDBHSA-N 0 3 316.420 2.419 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC001225617801 802991263 /nfs/dbraw/zinc/99/12/63/802991263.db2.gz PFWCCTVDKAESGG-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001225631818 802994219 /nfs/dbraw/zinc/99/42/19/802994219.db2.gz RZJUARZUDOTMEZ-HIFRSBDPSA-N 0 3 300.418 2.154 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001226749880 803152384 /nfs/dbraw/zinc/15/23/84/803152384.db2.gz JYSBTAKBEPOZDN-UHFFFAOYSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccoc2Cl)CC1 ZINC001227049375 803192780 /nfs/dbraw/zinc/19/27/80/803192780.db2.gz DRQAWZHBLGBZJB-UHFFFAOYSA-N 0 3 312.797 2.330 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C(C)(C)CC(F)F)CC1 ZINC001227763017 803277386 /nfs/dbraw/zinc/27/73/86/803277386.db2.gz QNJYKZNIEVMINN-UHFFFAOYSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H]1CC ZINC001417822930 1167236825 /nfs/dbraw/zinc/23/68/25/1167236825.db2.gz MOFFLXTWMJGIDD-LSDHHAIUSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(C)C[C@H](NC(=O)c1cc2c(s1)CCNC2)C(=O)OCC ZINC001330935815 1149339200 /nfs/dbraw/zinc/33/92/00/1149339200.db2.gz RNPUMDXSSXESRZ-LBPRGKRZSA-N 0 3 322.430 2.022 20 30 DEEDHN COCCN(Cc1ccc(C)c(C)c1)C(=O)[C@@H](N)CCCC#N ZINC001331023015 1149362761 /nfs/dbraw/zinc/36/27/61/1149362761.db2.gz WMAICCFJGRTKBC-KRWDZBQOSA-N 0 3 317.433 2.300 20 30 DEEDHN O=C(CCNCC#C[C@H]1CCCCO1)Nc1cccc(F)c1 ZINC001335486650 1150432280 /nfs/dbraw/zinc/43/22/80/1150432280.db2.gz SJLCPBPOCXILDH-MRXNPFEDSA-N 0 3 304.365 2.316 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)COC(C)C)C(C)C ZINC001419862966 1168879557 /nfs/dbraw/zinc/87/95/57/1168879557.db2.gz KIDJJVADPZXOTJ-LBPRGKRZSA-N 0 3 321.259 2.050 20 30 DEEDHN C=C[C@@H](O)c1nnc(N2CCN([C@@H](C)CC)CC2)n1CC(C)C ZINC001342994408 1150647200 /nfs/dbraw/zinc/64/72/00/1150647200.db2.gz RKVAWJIRIHWDQN-LSDHHAIUSA-N 0 3 321.469 2.074 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001479680430 1150758921 /nfs/dbraw/zinc/75/89/21/1150758921.db2.gz VULVOMDLTYYWAP-UHFFFAOYSA-N 0 3 320.477 2.243 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)CN1CCC(C)CC1 ZINC001420617362 1169831674 /nfs/dbraw/zinc/83/16/74/1169831674.db2.gz XLNNVWQFJCBHJB-UHFFFAOYSA-N 0 3 315.889 2.299 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001345204410 1150873503 /nfs/dbraw/zinc/87/35/03/1150873503.db2.gz CPIJMJNYQMBXTM-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cncc(C(F)(F)F)c1 ZINC001345933360 1150928746 /nfs/dbraw/zinc/92/87/46/1150928746.db2.gz ZANQSQVMCBZMNZ-UHFFFAOYSA-N 0 3 314.311 2.177 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001346557969 1151003473 /nfs/dbraw/zinc/00/34/73/1151003473.db2.gz SIAJFAUPZXEEFT-OIISXLGYSA-N 0 3 317.433 2.150 20 30 DEEDHN N#CC(C(=O)C=Cc1nccs1)c1nnc2n1CCCCC2 ZINC001523835420 1069737186 /nfs/dbraw/zinc/73/71/86/1069737186.db2.gz QYZXFXVQZGHNRL-QRGHLMKCSA-N 0 3 313.386 2.351 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(CC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001523943294 1069773126 /nfs/dbraw/zinc/77/31/26/1069773126.db2.gz NVGLIQUUQLOTPK-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1c(C(=O)C(C#N)c2nccn2Cc2ccccc2)cnn1C ZINC001524683110 1070020291 /nfs/dbraw/zinc/02/02/91/1070020291.db2.gz LPDUHBLKNVJOBY-OAHLLOKOSA-N 0 3 319.368 2.463 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CNCC=C(Cl)Cl ZINC001328605261 1148815765 /nfs/dbraw/zinc/81/57/65/1148815765.db2.gz PFECDBQORAAARN-LBPRGKRZSA-N 0 3 321.248 2.479 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001328684550 1148823632 /nfs/dbraw/zinc/82/36/32/1148823632.db2.gz ZWEQLSJKMWFNEI-MTHXSQLBSA-N 0 3 308.425 2.428 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNC(=O)CN(C)C(C)C)CC1 ZINC001527600545 1070513193 /nfs/dbraw/zinc/51/31/93/1070513193.db2.gz QWDCWIZIFZJWOT-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC001252124683 1142648259 /nfs/dbraw/zinc/64/82/59/1142648259.db2.gz SULVPAQJLDAFLQ-SJORKVTESA-N 0 3 300.487 2.360 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001532031270 1071604795 /nfs/dbraw/zinc/60/47/95/1071604795.db2.gz TWMNILMHPGHENP-RVKKMQEKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@H]2CNCc2ccnn2C)CCC1 ZINC001499922744 1058381787 /nfs/dbraw/zinc/38/17/87/1058381787.db2.gz IQWMQUJGHPVRSE-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C/C=C(\C)C=C)C2)CC1 ZINC001500018584 1058433733 /nfs/dbraw/zinc/43/37/33/1058433733.db2.gz LDLOZYQSFUKCLI-ZSUDGLGESA-N 0 3 316.445 2.129 20 30 DEEDHN C#CCN(C(=O)CCCC(C)=O)C1CCN(CC[C@H](C)F)CC1 ZINC001500023033 1058439086 /nfs/dbraw/zinc/43/90/86/1058439086.db2.gz LIWCWCZSWXOAIE-HNNXBMFYSA-N 0 3 324.440 2.420 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CC=CCC1)C1CCN(CCOC)CC1 ZINC001500043300 1058449992 /nfs/dbraw/zinc/44/99/92/1058449992.db2.gz JUUTUBFYERZTEB-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCNC[C@H](NC(=O)[C@@H](C)OC)c1ccc2ccccc2c1 ZINC001500059739 1058460435 /nfs/dbraw/zinc/46/04/35/1058460435.db2.gz HLOWDBLXQLMUAM-KDOFPFPSSA-N 0 3 310.397 2.255 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@](C)(CNCc2nccn2C)C1 ZINC001500350264 1058714732 /nfs/dbraw/zinc/71/47/32/1058714732.db2.gz RLSPYWDIQFZQKR-GOSISDBHSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(N(C)C)cc2)CC1 ZINC001500459980 1058806469 /nfs/dbraw/zinc/80/64/69/1058806469.db2.gz SPLLCYJVZAHEEZ-UHFFFAOYSA-N 0 3 313.445 2.218 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001500482044 1058834623 /nfs/dbraw/zinc/83/46/23/1058834623.db2.gz NQLIIZAAZKIYRJ-SJLPKXTDSA-N 0 3 308.466 2.433 20 30 DEEDHN Cn1c(CN[C@@H]2CCC[C@H](C#N)C2)cc(=O)n1-c1ccccc1 ZINC001462633440 1058868681 /nfs/dbraw/zinc/86/86/81/1058868681.db2.gz HGESIMZVTXBCBE-LSDHHAIUSA-N 0 3 310.401 2.348 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)CCCOC)C1 ZINC001500542267 1058906091 /nfs/dbraw/zinc/90/60/91/1058906091.db2.gz BBJSMWPRFCLCCH-SJLPKXTDSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2(NC[C@H](F)CC)CCOCC2)C1 ZINC001500583944 1058935912 /nfs/dbraw/zinc/93/59/12/1058935912.db2.gz NLMJLRYNIJNZBP-CQSZACIVSA-N 0 3 312.429 2.346 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001500740002 1059051323 /nfs/dbraw/zinc/05/13/23/1059051323.db2.gz GHMBBFJSRQYBNP-KRWDZBQOSA-N 0 3 322.836 2.391 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001500766398 1059077314 /nfs/dbraw/zinc/07/73/14/1059077314.db2.gz NFBGBPIYBHSXRO-JMLCCBQJSA-N 0 3 308.466 2.188 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001501090361 1059276518 /nfs/dbraw/zinc/27/65/18/1059276518.db2.gz BOQJELGLYFKXEA-KBPBESRZSA-N 0 3 323.462 2.062 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNCc1cscn1 ZINC001501115003 1059294956 /nfs/dbraw/zinc/29/49/56/1059294956.db2.gz CWCWCJJWRHJDRT-KBPBESRZSA-N 0 3 319.474 2.377 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNCc1cscn1 ZINC001501115004 1059296561 /nfs/dbraw/zinc/29/65/61/1059296561.db2.gz CWCWCJJWRHJDRT-KGLIPLIRSA-N 0 3 319.474 2.377 20 30 DEEDHN C=C(C)CCN1CCC[C@@](CO)(NC(=O)c2coc(C)c2)C1 ZINC001501320239 1059446600 /nfs/dbraw/zinc/44/66/00/1059446600.db2.gz OSHCJRKQUUSWMA-QGZVFWFLSA-N 0 3 306.406 2.111 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001501625720 1059582616 /nfs/dbraw/zinc/58/26/16/1059582616.db2.gz PVUHAUPRLHXHMJ-GJZGRUSLSA-N 0 3 324.856 2.415 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001501625719 1059583634 /nfs/dbraw/zinc/58/36/34/1059583634.db2.gz PVUHAUPRLHXHMJ-CABCVRRESA-N 0 3 324.856 2.415 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cnn(CC)c2C)C1 ZINC001501631655 1059591183 /nfs/dbraw/zinc/59/11/83/1059591183.db2.gz BSASSZUPESAKCX-CQSZACIVSA-N 0 3 324.856 2.406 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1c(OC)cccc1OC ZINC001467727420 1059690160 /nfs/dbraw/zinc/69/01/60/1059690160.db2.gz FUFHBLUTNAPCRC-UHFFFAOYSA-N 0 3 320.433 2.213 20 30 DEEDHN C=CC1(CC(=O)N2CCO[C@@H](CNCCF)C2)CCCCC1 ZINC001502080807 1059913830 /nfs/dbraw/zinc/91/38/30/1059913830.db2.gz FAVMGFAOAZYZIZ-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CCc2nc(C)cs2)CC1 ZINC001502127305 1059972048 /nfs/dbraw/zinc/97/20/48/1059972048.db2.gz MPLPOPDKGWBVPG-OAHLLOKOSA-N 0 3 319.474 2.378 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001502574238 1060186209 /nfs/dbraw/zinc/18/62/09/1060186209.db2.gz AGHIMTJMLZZUIV-QAPCUYQASA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)Cc1ccsc1 ZINC001505419516 1060562302 /nfs/dbraw/zinc/56/23/02/1060562302.db2.gz PYTJSHFEEPSZIV-INIZCTEOSA-N 0 3 322.474 2.416 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC001473421631 1060681245 /nfs/dbraw/zinc/68/12/45/1060681245.db2.gz QIFGNIYOBQUPLG-RBUKOAKNSA-N 0 3 323.396 2.278 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccnc2OCC)C1 ZINC001505532862 1060682284 /nfs/dbraw/zinc/68/22/84/1060682284.db2.gz USNMXDMRMNEURB-UHFFFAOYSA-N 0 3 323.824 2.331 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CC(F)(F)F ZINC001505568909 1060720691 /nfs/dbraw/zinc/72/06/91/1060720691.db2.gz BEHJOPHHWOUYHD-OLZOCXBDSA-N 0 3 312.335 2.473 20 30 DEEDHN CC(C)OCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001505569686 1060723004 /nfs/dbraw/zinc/72/30/04/1060723004.db2.gz GNFULFSQVARGJD-VXGBXAGGSA-N 0 3 309.435 2.028 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001505615839 1060782200 /nfs/dbraw/zinc/78/22/00/1060782200.db2.gz YZMASAOPESFGDX-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCCCCC1 ZINC001505615844 1060782393 /nfs/dbraw/zinc/78/23/93/1060782393.db2.gz YZMASAOPESFGDX-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001505909629 1061120766 /nfs/dbraw/zinc/12/07/66/1061120766.db2.gz DKGDDIIRDXVTRK-HNNXBMFYSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001505937442 1061153455 /nfs/dbraw/zinc/15/34/55/1061153455.db2.gz DVJZCOPGSZNVBO-ZBFHGGJFSA-N 0 3 301.434 2.233 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001479255243 1061332496 /nfs/dbraw/zinc/33/24/96/1061332496.db2.gz LETMQNTWHILFBN-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1ccc(C)cc1 ZINC001479267870 1061351486 /nfs/dbraw/zinc/35/14/86/1061351486.db2.gz VTGMJMFCLCOTSZ-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001479648433 1061562022 /nfs/dbraw/zinc/56/20/22/1061562022.db2.gz FMUKFFWEALICQQ-QGZVFWFLSA-N 0 3 308.466 2.428 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cnc(C)n1C ZINC001479831709 1061860596 /nfs/dbraw/zinc/86/05/96/1061860596.db2.gz UFZCTDIICAEOTO-OCCSQVGLSA-N 0 3 324.856 2.454 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1cnc(C)[nH]1 ZINC001479838806 1061881386 /nfs/dbraw/zinc/88/13/86/1061881386.db2.gz HPPFUWZKGAKAEA-UHFFFAOYSA-N 0 3 324.428 2.212 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCc2ccnn2C)C1 ZINC001479904416 1062029275 /nfs/dbraw/zinc/02/92/75/1062029275.db2.gz JGAWODUJMGNZDV-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC001479952968 1062100919 /nfs/dbraw/zinc/10/09/19/1062100919.db2.gz WORKBCOOMILGMM-QGZVFWFLSA-N 0 3 312.413 2.059 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCC(F)(F)F)CC1 ZINC001479976962 1062137089 /nfs/dbraw/zinc/13/70/89/1062137089.db2.gz BVYKDIICEOFLSB-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](OCC)C(C)C)CC1 ZINC001479980391 1062143523 /nfs/dbraw/zinc/14/35/23/1062143523.db2.gz GTJCONULGSLOHN-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001506629919 1062209664 /nfs/dbraw/zinc/20/96/64/1062209664.db2.gz DADOAXUOTNNOAN-CHWSQXEVSA-N 0 3 317.433 2.245 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001480040746 1062227460 /nfs/dbraw/zinc/22/74/60/1062227460.db2.gz QDAQJGMVLPPRAE-SJORKVTESA-N 0 3 302.393 2.271 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@]2(C1)CN(CC1CCCC1)CCO2 ZINC001506719391 1062305655 /nfs/dbraw/zinc/30/56/55/1062305655.db2.gz CXEYYZCURKTVCG-IBGZPJMESA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001480118542 1062349706 /nfs/dbraw/zinc/34/97/06/1062349706.db2.gz JCVFMTOCSXDBJB-FXAWDEMLSA-N 0 3 310.441 2.494 20 30 DEEDHN C#CCC1(C(=O)N2CCO[C@H]([C@@H](C)NCCF)C2)CCCCC1 ZINC001506858553 1062442443 /nfs/dbraw/zinc/44/24/43/1062442443.db2.gz UYJPGZFAPUOJLC-CVEARBPZSA-N 0 3 324.440 2.135 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](CNCc2ccn(CC)n2)C1 ZINC001506891563 1062479117 /nfs/dbraw/zinc/47/91/17/1062479117.db2.gz JYRIKGHURUDPFA-JCNLHEQBSA-N 0 3 316.449 2.081 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001480219394 1062480592 /nfs/dbraw/zinc/48/05/92/1062480592.db2.gz CWZXUZMUUQRSLF-RFQIPJPRSA-N 0 3 319.453 2.267 20 30 DEEDHN C=CCNC(=O)CN(C)C1CCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001506955015 1062585542 /nfs/dbraw/zinc/58/55/42/1062585542.db2.gz HMIIEBKYTKGTGC-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001480334754 1062673833 /nfs/dbraw/zinc/67/38/33/1062673833.db2.gz JJGKNLXXRLNMEE-HOCLYGCPSA-N 0 3 304.438 2.070 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)COc2ccsc2)C1 ZINC001480388131 1062779510 /nfs/dbraw/zinc/77/95/10/1062779510.db2.gz VQXITXUTRHKIBK-HUUCEWRRSA-N 0 3 320.458 2.367 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(Cl)ccc1OC ZINC001507156166 1062927258 /nfs/dbraw/zinc/92/72/58/1062927258.db2.gz YZTNEZDUMAGATM-LBPRGKRZSA-N 0 3 308.809 2.422 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCc2c1cccc2F ZINC001507205872 1062971307 /nfs/dbraw/zinc/97/13/07/1062971307.db2.gz GCZJKGZYLCYMCG-SUMWQHHRSA-N 0 3 320.408 2.236 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@H]1CCc2c1cccc2F ZINC001507205871 1062971663 /nfs/dbraw/zinc/97/16/63/1062971663.db2.gz GCZJKGZYLCYMCG-GUYCJALGSA-N 0 3 320.408 2.236 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccc(CF)cc2)C1 ZINC001507230656 1062983352 /nfs/dbraw/zinc/98/33/52/1062983352.db2.gz ABJFXYJNOUUJNK-MRXNPFEDSA-N 0 3 320.408 2.079 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001480553948 1063024777 /nfs/dbraw/zinc/02/47/77/1063024777.db2.gz MXVMUVZBQATQDG-CVEARBPZSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H](C)NC/C=C/Cl ZINC001480570975 1063053312 /nfs/dbraw/zinc/05/33/12/1063053312.db2.gz XZMFRVUSULOUOA-PZBABLGHSA-N 0 3 309.797 2.107 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CN(CC)c2ccccc2)C1 ZINC001507337996 1063118901 /nfs/dbraw/zinc/11/89/01/1063118901.db2.gz GOMSNTHPWWLQEP-IAGOWNOFSA-N 0 3 313.445 2.115 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001480686228 1063186963 /nfs/dbraw/zinc/18/69/63/1063186963.db2.gz MDNDQWWRBZFBRH-CABCVRRESA-N 0 3 318.417 2.225 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C(F)(F)F)CC2)[C@H]1C ZINC001507386115 1063211261 /nfs/dbraw/zinc/21/12/61/1063211261.db2.gz UIYQRHIVKPQSQK-VXGBXAGGSA-N 0 3 302.340 2.321 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001480721872 1063240368 /nfs/dbraw/zinc/24/03/68/1063240368.db2.gz NTDLFFIAMNKZBF-KRWDZBQOSA-N 0 3 320.408 2.451 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(C3CCC3)c2)C1 ZINC001480723388 1063246547 /nfs/dbraw/zinc/24/65/47/1063246547.db2.gz CGZUVORPJJRDSG-QGZVFWFLSA-N 0 3 314.433 2.168 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001507425901 1063269564 /nfs/dbraw/zinc/26/95/64/1063269564.db2.gz QKQOMFWJGVZZBZ-RDJZCZTQSA-N 0 3 309.413 2.024 20 30 DEEDHN CN(C(=O)Cc1ccoc1)C1CC(NCC#Cc2ccccc2)C1 ZINC001508104303 1063556918 /nfs/dbraw/zinc/55/69/18/1063556918.db2.gz XCEPJZQZMGLHBC-UHFFFAOYSA-N 0 3 322.408 2.453 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCCOC2)c(F)c1 ZINC001508239547 1063626368 /nfs/dbraw/zinc/62/63/68/1063626368.db2.gz FUWHSDVBVHMQLQ-OAHLLOKOSA-N 0 3 306.381 2.144 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001493223374 1063649048 /nfs/dbraw/zinc/64/90/48/1063649048.db2.gz OGDRIZQVSQTZSK-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001493235995 1063660052 /nfs/dbraw/zinc/66/00/52/1063660052.db2.gz IUVNUHHCNYKIFN-JKSUJKDBSA-N 0 3 316.420 2.466 20 30 DEEDHN COc1cccc([C@H](C)N(CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001493356717 1063740473 /nfs/dbraw/zinc/74/04/73/1063740473.db2.gz LDMMWIJPGNACOQ-KBPBESRZSA-N 0 3 315.417 2.496 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001493363604 1063745675 /nfs/dbraw/zinc/74/56/75/1063745675.db2.gz LHBNDWBHWBKBCB-LJQANCHMSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001508610335 1063778381 /nfs/dbraw/zinc/77/83/81/1063778381.db2.gz XOUCFJBHFVWUIS-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN[C@@H](C)C(=O)N1CCCCC1 ZINC001493685752 1063916551 /nfs/dbraw/zinc/91/65/51/1063916551.db2.gz ZDJLJSBQQQXHDW-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC001493746784 1063947063 /nfs/dbraw/zinc/94/70/63/1063947063.db2.gz USGQDYRVRNHNBP-UHFFFAOYSA-N 0 3 300.402 2.258 20 30 DEEDHN CO[C@H](C)CN[C@H](CNC(=O)C#CC(C)C)c1ccccc1 ZINC001493888332 1064011040 /nfs/dbraw/zinc/01/10/40/1064011040.db2.gz BQMCKFRMHBSSJM-NVXWUHKLSA-N 0 3 302.418 2.128 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cccnc1OC)c1ccccc1 ZINC001493898280 1064015206 /nfs/dbraw/zinc/01/52/06/1064015206.db2.gz SDDYRYYMRWAHHL-KRWDZBQOSA-N 0 3 323.396 2.174 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](NCCO)c2ccccc2)CC1 ZINC001493896400 1064015941 /nfs/dbraw/zinc/01/59/41/1064015941.db2.gz LIGMDDNNOCMOGA-KRWDZBQOSA-N 0 3 302.418 2.172 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](CC)OC ZINC001493920632 1064023350 /nfs/dbraw/zinc/02/33/50/1064023350.db2.gz GOAAXLHVLIUCEA-BBWFWOEESA-N 0 3 306.450 2.280 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H](C)n2cccn2)C1 ZINC001493939563 1064032216 /nfs/dbraw/zinc/03/22/16/1064032216.db2.gz MXSBIMYSBKZFQZ-HOTGVXAUSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(OCC)c(OC)c1 ZINC001567319047 1064143692 /nfs/dbraw/zinc/14/36/92/1064143692.db2.gz XSITWDUWPMKIIQ-UHFFFAOYSA-N 0 3 306.406 2.332 20 30 DEEDHN C[C@@H]1CC[C@@H](CN(C)CCNC(=O)CC#Cc2ccccc2)O1 ZINC001567320493 1064143941 /nfs/dbraw/zinc/14/39/41/1064143941.db2.gz TWXIIOCKVYFGQF-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001567386098 1064174296 /nfs/dbraw/zinc/17/42/96/1064174296.db2.gz AIJLDDBIWAVERV-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCC[NH2+][C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001567655728 1064320667 /nfs/dbraw/zinc/32/06/67/1064320667.db2.gz BCFURUASZXNNCF-QGZVFWFLSA-N 0 3 308.381 2.476 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2cn[nH]c2)C1 ZINC001567689016 1064346275 /nfs/dbraw/zinc/34/62/75/1064346275.db2.gz RIOJGLOYVJJDJA-INIZCTEOSA-N 0 3 304.438 2.231 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1C ZINC001494656476 1064389838 /nfs/dbraw/zinc/38/98/38/1064389838.db2.gz UCZNFRZWMOYJCK-BPUTZDHNSA-N 0 3 314.433 2.347 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1cnc(C)c1 ZINC001494658451 1064393352 /nfs/dbraw/zinc/39/33/52/1064393352.db2.gz MIZFXMNJUKSGDN-HOTGVXAUSA-N 0 3 316.449 2.178 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001567773224 1064415254 /nfs/dbraw/zinc/41/52/54/1064415254.db2.gz CGQWIHZAWCLXRA-HKUYNNGSSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001494747665 1064445867 /nfs/dbraw/zinc/44/58/67/1064445867.db2.gz WOLROUPFBYLOCQ-QGZVFWFLSA-N 0 3 302.418 2.197 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001567828669 1064446679 /nfs/dbraw/zinc/44/66/79/1064446679.db2.gz XKSALIUKYFCKTN-HNAYVOBHSA-N 0 3 316.445 2.431 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001567841070 1064455430 /nfs/dbraw/zinc/45/54/30/1064455430.db2.gz OCOWMAAMQNQJGL-CQSZACIVSA-N 0 3 302.393 2.076 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n[nH]1 ZINC001567853282 1064462989 /nfs/dbraw/zinc/46/29/89/1064462989.db2.gz UICZBSCDISFXTA-QEJZJMRPSA-N 0 3 302.422 2.226 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(CCOC2CCCCCC2)C1 ZINC001494812203 1064482697 /nfs/dbraw/zinc/48/26/97/1064482697.db2.gz APTULNULCQCBKP-HZPDHXFCSA-N 0 3 321.465 2.418 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)N[C@H](C)c1n[nH]c(C)n1 ZINC001567963136 1064563467 /nfs/dbraw/zinc/56/34/67/1064563467.db2.gz YMMVZKCJIIYHAL-YPMHNXCESA-N 0 3 307.442 2.261 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)NCC(=O)N[C@H](C)CC)CC1 ZINC001567975417 1064573468 /nfs/dbraw/zinc/57/34/68/1064573468.db2.gz NTTIBAIZCHLCNZ-ZBFHGGJFSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H]1CCCC[C@@]1(CNCCF)NC(=O)c1cc(C#N)c[nH]1 ZINC001568035472 1064608399 /nfs/dbraw/zinc/60/83/99/1064608399.db2.gz HCAPECKCFVMKHP-LRDDRELGSA-N 0 3 306.385 2.124 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC001568105240 1064649084 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C=CCN(C)CCN(CC)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001626751053 1078261679 /nfs/dbraw/zinc/26/16/79/1078261679.db2.gz QVPRYBUBRRPGGV-UHFFFAOYSA-N 0 3 314.433 2.204 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCCOCC2)cc1 ZINC001570030209 1065892526 /nfs/dbraw/zinc/89/25/26/1065892526.db2.gz PLQVNRDQFCZGPE-CRAIPNDOSA-N 0 3 314.429 2.403 20 30 DEEDHN CC[C@@H]1CCC[C@]1(C)C(=O)NCC1(NCC#CCOC)CCC1 ZINC001570108943 1065928261 /nfs/dbraw/zinc/92/82/61/1065928261.db2.gz BTTHLFWFRVJBGZ-AEFFLSMTSA-N 0 3 320.477 2.481 20 30 DEEDHN C#CCNC1(CNC(=O)c2cnc3ccccc3c2C)CCC1 ZINC001570111796 1065928743 /nfs/dbraw/zinc/92/87/43/1065928743.db2.gz DNFXNQUYDXJDJJ-UHFFFAOYSA-N 0 3 307.397 2.419 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccnn1CC1CCC1 ZINC001570196634 1065967887 /nfs/dbraw/zinc/96/78/87/1065967887.db2.gz MSUUKHGJXBAFRJ-UHFFFAOYSA-N 0 3 316.449 2.100 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cc(C)cs1 ZINC001570196790 1065969526 /nfs/dbraw/zinc/96/95/26/1065969526.db2.gz PSKZTPXWNSZGOA-UHFFFAOYSA-N 0 3 308.447 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SNSJGWCAUMHINI-KZSQQDEKSA-N 0 3 322.412 2.383 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001497621933 1066194253 /nfs/dbraw/zinc/19/42/53/1066194253.db2.gz STLDJGOAZIEJCW-MDZDMXLPSA-N 0 3 316.449 2.452 20 30 DEEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1[N+](=O)[O-] ZINC001575369673 1066278540 /nfs/dbraw/zinc/27/85/40/1066278540.db2.gz OTCAVVQPJYPUNV-ZDUSSCGKSA-N 0 3 318.377 2.357 20 30 DEEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1F ZINC001575369675 1066278751 /nfs/dbraw/zinc/27/87/51/1066278751.db2.gz OUECGRQDNKFBGS-XYEKJYRLSA-N 0 3 315.392 2.316 20 30 DEEDHN CC(C)C(=O)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC001575391316 1066287928 /nfs/dbraw/zinc/28/79/28/1066287928.db2.gz IZDHOIWYKSWEEG-HZPDHXFCSA-N 0 3 315.417 2.480 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C[C@H](C)c1cccc(OC)c1 ZINC001497768085 1066297590 /nfs/dbraw/zinc/29/75/90/1066297590.db2.gz WXCXFUCGVAPBEP-MOEXGYKKSA-N 0 3 314.429 2.474 20 30 DEEDHN Cc1ccc(OCCN(C)C[C@@H](C)NC(=O)C#CC2CC2)cc1 ZINC001498276224 1066611619 /nfs/dbraw/zinc/61/16/19/1066611619.db2.gz KKZBFHNVSXVGSC-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1CNCC#N)N1CCCCC1 ZINC001498480103 1066735615 /nfs/dbraw/zinc/73/56/15/1066735615.db2.gz JKYKIELDAZIDQH-JKSUJKDBSA-N 0 3 320.481 2.039 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001577113659 1066765724 /nfs/dbraw/zinc/76/57/24/1066765724.db2.gz ZPOQXIOUUJUTOE-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)CN(C)CCC ZINC001577418538 1066837576 /nfs/dbraw/zinc/83/75/76/1066837576.db2.gz OWJAUYKLEGXDJC-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](CNCc1cccc(Cl)n1)C1CC1 ZINC001498759810 1066871330 /nfs/dbraw/zinc/87/13/30/1066871330.db2.gz PIESREFNHMKBMF-OAHLLOKOSA-N 0 3 319.836 2.379 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CC1)[C@@H]1CC12CC2 ZINC001498824051 1066911859 /nfs/dbraw/zinc/91/18/59/1066911859.db2.gz BLWOROVGSLHUPJ-ZWKOTPCHSA-N 0 3 308.425 2.323 20 30 DEEDHN COC(=O)c1cc(C)cc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC001578853045 1067181735 /nfs/dbraw/zinc/18/17/35/1067181735.db2.gz KGDHRWGGPFCKJU-AWEZNQCLSA-N 0 3 303.362 2.131 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H](C)NCc1cnc(C)nc1)c1ccccc1 ZINC001266996565 1078487772 /nfs/dbraw/zinc/48/77/72/1078487772.db2.gz HYTPNNOSVNFRED-KDOFPFPSSA-N 0 3 324.428 2.349 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)CCCOc1ccccc1F ZINC001266995925 1078488142 /nfs/dbraw/zinc/48/81/42/1078488142.db2.gz XERLOJKTLGKCJS-AWEZNQCLSA-N 0 3 306.381 2.102 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cc2ccsc2[nH]1 ZINC001483368146 1078488407 /nfs/dbraw/zinc/48/84/07/1078488407.db2.gz BXXBDRQIHRMHFO-GFCCVEGCSA-N 0 3 321.446 2.482 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OCC ZINC001499502350 1067240464 /nfs/dbraw/zinc/24/04/64/1067240464.db2.gz YLWPBUCTWSDLBF-IKGGRYGDSA-N 0 3 324.465 2.069 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCCOC1 ZINC001499549760 1067253996 /nfs/dbraw/zinc/25/39/96/1067253996.db2.gz LLCUHDJAOVRNEF-KURKYZTESA-N 0 3 318.461 2.138 20 30 DEEDHN COc1ccc(Cl)c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC001579218870 1067263314 /nfs/dbraw/zinc/26/33/14/1067263314.db2.gz ZKLCYXCAFQEFAA-NOEPWBJOSA-N 0 3 319.792 2.426 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001267026114 1078512933 /nfs/dbraw/zinc/51/29/33/1078512933.db2.gz GBWOFSKQQBMGTO-ZDUSSCGKSA-N 0 3 311.385 2.004 20 30 DEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cccc1NC(=O)N(C)C ZINC001579538037 1067365367 /nfs/dbraw/zinc/36/53/67/1067365367.db2.gz MMVYFHDIDMEWOG-LBPRGKRZSA-N 0 3 317.393 2.048 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cnc(C)nc1)C1CC1 ZINC001483589655 1078616188 /nfs/dbraw/zinc/61/61/88/1078616188.db2.gz HIWXSHZUKWFWCO-INIZCTEOSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccnn1C1CCC1 ZINC001570530528 1067987776 /nfs/dbraw/zinc/98/77/76/1067987776.db2.gz MHVQILRVKXOQRF-OAHLLOKOSA-N 0 3 302.422 2.331 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2nccn2C)C1 ZINC001570562391 1068007701 /nfs/dbraw/zinc/00/77/01/1068007701.db2.gz DOGPQUUVIWTCCR-UHFFFAOYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C=C1CCC1 ZINC001570596011 1068028582 /nfs/dbraw/zinc/02/85/82/1068028582.db2.gz NRZNOSCSNUJOOK-GJZGRUSLSA-N 0 3 321.465 2.004 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)CCOCc1ccccc1 ZINC001570709020 1068080952 /nfs/dbraw/zinc/08/09/52/1068080952.db2.gz MSDSXJCIYVBDKP-KRWDZBQOSA-N 0 3 316.445 2.299 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001570741463 1068105107 /nfs/dbraw/zinc/10/51/07/1068105107.db2.gz CEUJDTQOTPZVPG-CWRNSKLLSA-N 0 3 302.418 2.421 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@H](NCc1nccn1C)C(C)C ZINC001570775077 1068114322 /nfs/dbraw/zinc/11/43/22/1068114322.db2.gz NEPXPIDXTZOLFB-INIZCTEOSA-N 0 3 318.465 2.042 20 30 DEEDHN N#Cc1ccc(N2CCN[C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001640350210 1078655740 /nfs/dbraw/zinc/65/57/40/1078655740.db2.gz CMCMTQAOFHKZKU-OAHLLOKOSA-N 0 3 324.340 2.323 20 30 DEEDHN C#CCCCC(=O)N1CC[C@]2(C1)CN(C[C@H](C)CC)CCO2 ZINC001570884556 1068148115 /nfs/dbraw/zinc/14/81/15/1068148115.db2.gz MWTNKHVCFMMYFX-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)COCCC)C[C@H]2C1 ZINC001571015594 1068174261 /nfs/dbraw/zinc/17/42/61/1068174261.db2.gz NKSDBDUNTPRGNI-KKUMJFAQSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001267204161 1078663324 /nfs/dbraw/zinc/66/33/24/1078663324.db2.gz RHMFNZYVZKYCGX-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001267204161 1078663331 /nfs/dbraw/zinc/66/33/31/1078663331.db2.gz RHMFNZYVZKYCGX-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001571122081 1068183400 /nfs/dbraw/zinc/18/34/00/1068183400.db2.gz QHNDQLNZCZPAAI-SHTZXODSSA-N 0 3 304.438 2.069 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001267209847 1078667866 /nfs/dbraw/zinc/66/78/66/1078667866.db2.gz OJIGAMYAOITHEY-INIZCTEOSA-N 0 3 302.418 2.404 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccsc1Cl ZINC001267220014 1078675047 /nfs/dbraw/zinc/67/50/47/1078675047.db2.gz FPRQWQLODCEBEM-UHFFFAOYSA-N 0 3 302.827 2.266 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@@H]1C ZINC001571477594 1068329109 /nfs/dbraw/zinc/32/91/09/1068329109.db2.gz SOXOEHOOFSFKQZ-GXTWGEPZSA-N 0 3 305.447 2.334 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2csc(C3CC3)n2)C1 ZINC001571493162 1068352438 /nfs/dbraw/zinc/35/24/38/1068352438.db2.gz NECITUQLLGXFEN-AAEUAGOBSA-N 0 3 303.431 2.236 20 30 DEEDHN C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001571506561 1068366750 /nfs/dbraw/zinc/36/67/50/1068366750.db2.gz GWVFJSIMITXRTD-DJIMGWMZSA-N 0 3 312.413 2.246 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC001571516665 1068379559 /nfs/dbraw/zinc/37/95/59/1068379559.db2.gz HQSZDRVQUFKZOY-JSGCOSHPSA-N 0 3 316.392 2.203 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001571534621 1068403189 /nfs/dbraw/zinc/40/31/89/1068403189.db2.gz QUGATUOOIXJNFP-GJZGRUSLSA-N 0 3 317.433 2.407 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001571607950 1068436092 /nfs/dbraw/zinc/43/60/92/1068436092.db2.gz VLQYGLYVKUNFHF-HUUCEWRRSA-N 0 3 322.424 2.256 20 30 DEEDHN CN(C(=O)[C@H]1CC1(F)F)C1CC(NCC#Cc2ccccc2)C1 ZINC001571656724 1068464020 /nfs/dbraw/zinc/46/40/20/1068464020.db2.gz HLRFOSKIRZLQCW-UYSNPLJNSA-N 0 3 318.367 2.272 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)CC2)CC1 ZINC001571669059 1068470246 /nfs/dbraw/zinc/47/02/46/1068470246.db2.gz NGLZFFUJWCEUDB-YQQAZPJKSA-N 0 3 300.446 2.417 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001267274879 1078720527 /nfs/dbraw/zinc/72/05/27/1078720527.db2.gz AOABPZVLHBVRBP-OAHLLOKOSA-N 0 3 305.422 2.028 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001267309740 1078754502 /nfs/dbraw/zinc/75/45/02/1078754502.db2.gz RRCSYAUOKOEGKP-OXQOHEQNSA-N 0 3 310.441 2.253 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001483658702 1078758981 /nfs/dbraw/zinc/75/89/81/1078758981.db2.gz PAOQAPFJJRDWDL-PBHICJAKSA-N 0 3 317.433 2.387 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccn2cc(C)nc2c1 ZINC001267317566 1078760181 /nfs/dbraw/zinc/76/01/81/1078760181.db2.gz DYSVLBQEQCDXFU-UHFFFAOYSA-N 0 3 312.417 2.108 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001267318720 1078762233 /nfs/dbraw/zinc/76/22/33/1078762233.db2.gz RPKWRBKUGHWEAU-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C=CCN(CCNC(=O)COc1ccc(F)cc1F)C1CC1 ZINC001267325309 1078767282 /nfs/dbraw/zinc/76/72/82/1078767282.db2.gz BMIVKMYYAVOZLP-UHFFFAOYSA-N 0 3 310.344 2.110 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001572297100 1068721954 /nfs/dbraw/zinc/72/19/54/1068721954.db2.gz FNEYWTTURXWJMN-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)CN(C)C(=O)C1CCCC1 ZINC001283555442 1078785253 /nfs/dbraw/zinc/78/52/53/1078785253.db2.gz SDNVFGHWWDCOAD-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CS[C@@H](C)CC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001267364587 1078794426 /nfs/dbraw/zinc/79/44/26/1078794426.db2.gz HDRBZQKKMMOPTL-ZDUSSCGKSA-N 0 3 305.447 2.248 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001515358970 1068871010 /nfs/dbraw/zinc/87/10/10/1068871010.db2.gz NJSAYOWISSHOQZ-XHSDSOJGSA-N 0 3 311.385 2.343 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ncccc1C ZINC001267803837 1079506131 /nfs/dbraw/zinc/50/61/31/1079506131.db2.gz WNCDQCKVRVCZES-HNNXBMFYSA-N 0 3 301.434 2.424 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1c[nH]nc1C1CC1)c1ccccc1 ZINC001267378203 1078809371 /nfs/dbraw/zinc/80/93/71/1078809371.db2.gz YSISBCJWJRXMRJ-KRWDZBQOSA-N 0 3 322.412 2.371 20 30 DEEDHN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@H](CC)CN1 ZINC001573712491 1069076117 /nfs/dbraw/zinc/07/61/17/1069076117.db2.gz MSHUDVXSLILOFB-NUEKZKHPSA-N 0 3 315.417 2.315 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)CC1 ZINC001520435374 1069137911 /nfs/dbraw/zinc/13/79/11/1069137911.db2.gz XBWAIDPHFZXWNC-IAGOWNOFSA-N 0 3 306.450 2.227 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cccc(OC)c3F)C2)C1=O ZINC001272407485 1078853111 /nfs/dbraw/zinc/85/31/11/1078853111.db2.gz HQWLARZWXRCXHB-GOSISDBHSA-N 0 3 318.392 2.445 20 30 DEEDHN N#CCSCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001483716904 1078857821 /nfs/dbraw/zinc/85/78/21/1078857821.db2.gz OAXCXJONLZLKAI-UHFFFAOYSA-N 0 3 323.849 2.335 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1cc(C(C)C)oc1C ZINC001267449791 1078861338 /nfs/dbraw/zinc/86/13/38/1078861338.db2.gz GHJMSKLHAYVCFR-UHFFFAOYSA-N 0 3 306.406 2.023 20 30 DEEDHN CS[C@H](C)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001483719603 1078865926 /nfs/dbraw/zinc/86/59/26/1078865926.db2.gz RANNNAWVFBWJLU-LLVKDONJSA-N 0 3 321.421 2.187 20 30 DEEDHN C#CCCCC(=O)NC1(c2ccc(Br)cc2)CNC1 ZINC001574545563 1069237857 /nfs/dbraw/zinc/23/78/57/1069237857.db2.gz RVHLLYABJWDLLR-UHFFFAOYSA-N 0 3 321.218 2.167 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC001574852069 1069276460 /nfs/dbraw/zinc/27/64/60/1069276460.db2.gz OKWUOBDNRXRUSN-OAHLLOKOSA-N 0 3 322.836 2.009 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CC(=O)OC)CCCCC1 ZINC001574851225 1069276564 /nfs/dbraw/zinc/27/65/64/1069276564.db2.gz CDCVOGCKPLHWHA-LBPRGKRZSA-N 0 3 316.829 2.086 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC001574902889 1069292757 /nfs/dbraw/zinc/29/27/57/1069292757.db2.gz IUFZKMKDEQDRJX-AEFFLSMTSA-N 0 3 300.402 2.328 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001574903950 1069292836 /nfs/dbraw/zinc/29/28/36/1069292836.db2.gz YGVIEICDQIYWRQ-INIZCTEOSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC(C)(C)COC)C1 ZINC001267474507 1078894356 /nfs/dbraw/zinc/89/43/56/1078894356.db2.gz IPSILSVYPRCEGZ-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)/C=C\c2ccc(F)cc2)CCN1C ZINC001545105913 1072560190 /nfs/dbraw/zinc/56/01/90/1072560190.db2.gz RVUWWGVTMODOBL-SUAHEPBESA-N 0 3 304.365 2.007 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC001272556257 1078960203 /nfs/dbraw/zinc/96/02/03/1078960203.db2.gz PWUHJGXMUKWKJZ-KGLIPLIRSA-N 0 3 302.846 2.238 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](NCC(=C)C)c1ccccc1 ZINC001267521305 1078952187 /nfs/dbraw/zinc/95/21/87/1078952187.db2.gz ROTMBPRWDHENAK-NVXWUHKLSA-N 0 3 300.402 2.048 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CC ZINC001267529112 1078961741 /nfs/dbraw/zinc/96/17/41/1078961741.db2.gz HKHGDEUCNSKELN-KPKGVJBYSA-N 0 3 306.450 2.345 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)c2cccnc2)C1 ZINC001267539431 1078969493 /nfs/dbraw/zinc/96/94/93/1078969493.db2.gz NMZVKEJLTPGKSQ-QGZVFWFLSA-N 0 3 317.433 2.211 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)c2ccccc2C)C1 ZINC001267550675 1078982141 /nfs/dbraw/zinc/98/21/41/1078982141.db2.gz YVSJKCISAQLCQK-KRWDZBQOSA-N 0 3 314.429 2.087 20 30 DEEDHN CON=Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC001548860320 1072919740 /nfs/dbraw/zinc/91/97/40/1072919740.db2.gz KEXDMIHTSQGTGX-AWEZNQCLSA-N 0 3 315.417 2.223 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H](C)COC)C1 ZINC001272606537 1079002330 /nfs/dbraw/zinc/00/23/30/1079002330.db2.gz BDMWCOUFHVOHKT-TZMCWYRMSA-N 0 3 302.846 2.240 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001368638515 1148541701 /nfs/dbraw/zinc/54/17/01/1148541701.db2.gz SIKQMNIAYRDIFH-AEGPPILISA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619479 1079015083 /nfs/dbraw/zinc/01/50/83/1079015083.db2.gz WGQUWWYFULFLMV-HNNXBMFYSA-N 0 3 300.402 2.297 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(OC)cc3F)C2)C1=O ZINC001272669275 1079096778 /nfs/dbraw/zinc/09/67/78/1079096778.db2.gz ZWGRVRXHGWLOPH-GOSISDBHSA-N 0 3 318.392 2.445 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC001483775007 1079111465 /nfs/dbraw/zinc/11/14/65/1079111465.db2.gz FRLZZVRTNHTSAV-MRXNPFEDSA-N 0 3 320.477 2.481 20 30 DEEDHN CCCc1nc(C)c(CN2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)o1 ZINC001481083578 1079166835 /nfs/dbraw/zinc/16/68/35/1079166835.db2.gz LUCKXHOWFKNFGW-OCCSQVGLSA-N 0 3 318.421 2.033 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2scnc2C)C1 ZINC001481091097 1079173368 /nfs/dbraw/zinc/17/33/68/1079173368.db2.gz JGRSKGSRNMSDAQ-AWEZNQCLSA-N 0 3 305.447 2.193 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@H](C)CCC)C2)CC1 ZINC001483975536 1079221365 /nfs/dbraw/zinc/22/13/65/1079221365.db2.gz DFKKCXZLOWQYDN-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]1CCC)C1CCN(CCO)CC1 ZINC001483984457 1079226229 /nfs/dbraw/zinc/22/62/29/1079226229.db2.gz ZSXDIUICHHSZQS-SJLPKXTDSA-N 0 3 320.477 2.121 20 30 DEEDHN N#CCOc1ccccc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001649807190 1079227380 /nfs/dbraw/zinc/22/73/80/1079227380.db2.gz PJFJHEZQSPIZLC-AWEZNQCLSA-N 0 3 310.357 2.448 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC[C@H](Cc3ccccc3)C1)C2 ZINC001646150436 1074349772 /nfs/dbraw/zinc/34/97/72/1074349772.db2.gz VLLNZTOHGBIOOV-BHASAWDCSA-N 0 3 323.440 2.217 20 30 DEEDHN C=CCN(CCNC(=O)c1coc(-c2cccnc2)n1)C1CC1 ZINC001481178104 1079296606 /nfs/dbraw/zinc/29/66/06/1079296606.db2.gz OUTBOJLKYFQUBN-UHFFFAOYSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1CC12CC(OCC)C2)C1CC1 ZINC001481186240 1079306292 /nfs/dbraw/zinc/30/62/92/1079306292.db2.gz MUWWULZRJPGSNU-PQUAAJSLSA-N 0 3 306.450 2.348 20 30 DEEDHN CCO[C@@H]1COCC[C@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001646917019 1074693732 /nfs/dbraw/zinc/69/37/32/1074693732.db2.gz AIGJFWLWISFVRW-ITDIGPHOSA-N 0 3 324.327 2.368 20 30 DEEDHN CCCCCCCN1CCC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267628789 1079307906 /nfs/dbraw/zinc/30/79/06/1079307906.db2.gz CDXAYFDAHSIQAC-AWEZNQCLSA-N 0 3 307.442 2.278 20 30 DEEDHN CC(=O)NC[C@@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001484148515 1079329938 /nfs/dbraw/zinc/32/99/38/1079329938.db2.gz POTSDZKGAQTXEL-GOSISDBHSA-N 0 3 315.417 2.327 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCc2ccccn2)C1 ZINC001484165583 1079340765 /nfs/dbraw/zinc/34/07/65/1079340765.db2.gz WKKXZWNQYZYVFO-IBGZPJMESA-N 0 3 313.445 2.256 20 30 DEEDHN CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001647709165 1074975911 /nfs/dbraw/zinc/97/59/11/1074975911.db2.gz JVEZIGARTOMZKI-PBHICJAKSA-N 0 3 316.453 2.237 20 30 DEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(F)c(C#N)c2N)C1 ZINC001648137997 1074987485 /nfs/dbraw/zinc/98/74/85/1074987485.db2.gz DAUYFGSCSHZKQW-INIZCTEOSA-N 0 3 322.359 2.431 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc2n[nH]cc2c1 ZINC001556466855 1075032190 /nfs/dbraw/zinc/03/21/90/1075032190.db2.gz PEZSVTBZDUZLBD-UHFFFAOYSA-N 0 3 300.406 2.072 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1COc2ccccc2O1 ZINC001556466597 1075032678 /nfs/dbraw/zinc/03/26/78/1075032678.db2.gz FSSZZYWDLREZPD-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)Cc2ccc(C)o2)C1 ZINC001484196749 1079354934 /nfs/dbraw/zinc/35/49/34/1079354934.db2.gz WCIPOEDXFAAUSV-AWEZNQCLSA-N 0 3 324.371 2.227 20 30 DEEDHN Cc1cc(CNCc2ccc(-c3nncnn3)cc2)ccc1C#N ZINC001560521783 1075141363 /nfs/dbraw/zinc/14/13/63/1075141363.db2.gz PPDHPZWEQBFXJF-UHFFFAOYSA-N 0 3 316.368 2.404 20 30 DEEDHN [O-]c1ccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c(F)c1F ZINC001560984175 1075148881 /nfs/dbraw/zinc/14/88/81/1075148881.db2.gz RTBZDNMECNPUQU-SSDOTTSWSA-N 0 3 321.192 2.319 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)CCC(F)(F)F ZINC001568328295 1075162853 /nfs/dbraw/zinc/16/28/53/1075162853.db2.gz ZFIOKWQLRAWVOV-ZDUSSCGKSA-N 0 3 322.371 2.099 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001565837638 1075194131 /nfs/dbraw/zinc/19/41/31/1075194131.db2.gz JYKKIBXVNAYCPS-XBXGTLAGSA-N 0 3 321.421 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2cc(C)ncn2)C1 ZINC001565905622 1075204750 /nfs/dbraw/zinc/20/47/50/1075204750.db2.gz VKQUKWGVBDTJOI-LSDHHAIUSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2nonc2c1 ZINC001566124330 1075233138 /nfs/dbraw/zinc/23/31/38/1075233138.db2.gz PJSUFVSJKHROTA-AWEZNQCLSA-N 0 3 314.389 2.335 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(COC)CCC2)CC(C)(C)C1 ZINC001566129855 1075234490 /nfs/dbraw/zinc/23/44/90/1075234490.db2.gz KMUAPCPZSCRLFX-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)c1ccc[nH]1 ZINC001566140040 1075235381 /nfs/dbraw/zinc/23/53/81/1075235381.db2.gz GEAKSFJBADXBOY-UHFFFAOYSA-N 0 3 307.397 2.164 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001566505932 1075264364 /nfs/dbraw/zinc/26/43/64/1075264364.db2.gz CSRYQQDUFMJHJI-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001566638841 1075303347 /nfs/dbraw/zinc/30/33/47/1075303347.db2.gz LHJWWJRVNQDEAL-UHFFFAOYSA-N 0 3 321.509 2.369 20 30 DEEDHN C=CCCCCCN1CC[C@@H](NC(=O)C2(F)CCOCC2)C1 ZINC001566665044 1075309144 /nfs/dbraw/zinc/30/91/44/1075309144.db2.gz KBYAKGOZTWCBSQ-OAHLLOKOSA-N 0 3 312.429 2.442 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H](NCc1ccnc(Cl)c1)C1CC1 ZINC001566708911 1075322986 /nfs/dbraw/zinc/32/29/86/1075322986.db2.gz MRPNSSPJBDSFKU-HNNXBMFYSA-N 0 3 317.820 2.133 20 30 DEEDHN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CC(C)(C)C ZINC001566755773 1075336753 /nfs/dbraw/zinc/33/67/53/1075336753.db2.gz RIQYKUUSUWTCEU-IYBDPMFKSA-N 0 3 307.482 2.216 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC(F)F ZINC001267707085 1079395320 /nfs/dbraw/zinc/39/53/20/1079395320.db2.gz ZQWVPBOZILVEGW-STQMWFEESA-N 0 3 324.375 2.013 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccnc2OC)C1 ZINC001566805324 1075349257 /nfs/dbraw/zinc/34/92/57/1075349257.db2.gz JHYXDMMSWNQTOX-SHTZXODSSA-N 0 3 317.433 2.429 20 30 DEEDHN CCC[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001566817199 1075351690 /nfs/dbraw/zinc/35/16/90/1075351690.db2.gz HSKFRIRIFAFJLE-XYTVBORESA-N 0 3 306.450 2.184 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN(CC#CC)C1 ZINC001566874738 1075370767 /nfs/dbraw/zinc/37/07/67/1075370767.db2.gz HCWYZOBNDRZNKU-FUHWJXTLSA-N 0 3 306.450 2.067 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1C ZINC001267710905 1079397950 /nfs/dbraw/zinc/39/79/50/1079397950.db2.gz CWWXGSNSPPJGTD-KCXAZCMYSA-N 0 3 316.449 2.290 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001566925148 1075388089 /nfs/dbraw/zinc/38/80/89/1075388089.db2.gz BKFRGPWMWZSALV-KRWDZBQOSA-N 0 3 311.429 2.107 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001566929759 1075391299 /nfs/dbraw/zinc/39/12/99/1075391299.db2.gz IKSQWLUUXILPLX-OAHLLOKOSA-N 0 3 305.422 2.110 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCC(=O)N(CC)CC ZINC001566930171 1075391343 /nfs/dbraw/zinc/39/13/43/1075391343.db2.gz RMCRCDDIHIGOOH-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2ccc(CC)cn2)C1 ZINC001566965630 1075402266 /nfs/dbraw/zinc/40/22/66/1075402266.db2.gz LAPRCYLTJLTRMX-DOTOQJQBSA-N 0 3 313.445 2.036 20 30 DEEDHN C[C@H](CNC(=O)/C=C/c1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001567011791 1075415997 /nfs/dbraw/zinc/41/59/97/1075415997.db2.gz LYPCAWVPYQVAJH-RPTYSRGTSA-N 0 3 314.414 2.256 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001567025090 1075418358 /nfs/dbraw/zinc/41/83/58/1075418358.db2.gz HMWASJKQNCITSM-HNNXBMFYSA-N 0 3 316.445 2.342 20 30 DEEDHN CCC[C@@H](CC(C)C)C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001567109488 1075433352 /nfs/dbraw/zinc/43/33/52/1075433352.db2.gz OZSSKZSZBFWOJR-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ccnc(OC)n1 ZINC001567225817 1075467940 /nfs/dbraw/zinc/46/79/40/1075467940.db2.gz YFOQDJWPVJRNCX-ZDUSSCGKSA-N 0 3 320.437 2.072 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CCC(F)(F)F ZINC001481217313 1079419390 /nfs/dbraw/zinc/41/93/90/1079419390.db2.gz JQPPVQQGIVHVCX-UHFFFAOYSA-N 0 3 313.323 2.449 20 30 DEEDHN Cc1cccnc1[C@H](C)NC[C@@H](O)CC1(C#N)CCOCC1 ZINC001650156806 1079426155 /nfs/dbraw/zinc/42/61/55/1079426155.db2.gz UKHRNBHSNGKVGY-GJZGRUSLSA-N 0 3 303.406 2.112 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001329441024 1148895156 /nfs/dbraw/zinc/89/51/56/1148895156.db2.gz LVGGAUYTXUUNNR-HUUCEWRRSA-N 0 3 320.408 2.109 20 30 DEEDHN C=C(Cl)CN[C@H](C)CN(C)C(=O)Cn1ccnc1C(C)C ZINC001369300187 1148895262 /nfs/dbraw/zinc/89/52/62/1148895262.db2.gz ZKLYHFIPCQWUGW-CYBMUJFWSA-N 0 3 312.845 2.196 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001580966588 1076025943 /nfs/dbraw/zinc/02/59/43/1076025943.db2.gz DKZVIWZFUOWJEQ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001583768768 1076274842 /nfs/dbraw/zinc/27/48/42/1076274842.db2.gz JLPTVRJDQZRFFX-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNC(=O)C(C)(C)N(C)CC)CCC1 ZINC001583939236 1076280530 /nfs/dbraw/zinc/28/05/30/1076280530.db2.gz RWLXESLTJOOCHZ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588682908 1076460883 /nfs/dbraw/zinc/46/08/83/1076460883.db2.gz UQHZIAOOWVUGAU-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CCOCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588682908 1076460884 /nfs/dbraw/zinc/46/08/84/1076460884.db2.gz UQHZIAOOWVUGAU-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C#CCCCC(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001267801159 1079504887 /nfs/dbraw/zinc/50/48/87/1079504887.db2.gz ZRARFQJOOAZNIQ-INIZCTEOSA-N 0 3 315.392 2.485 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](CC)NCc1ccccc1Cl ZINC001267804591 1079507178 /nfs/dbraw/zinc/50/71/78/1079507178.db2.gz JZGONVPSCRWZJL-UKRRQHHQSA-N 0 3 322.836 2.363 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](C)[C@H](CNCc2ocnc2C)C1 ZINC001484375059 1079574528 /nfs/dbraw/zinc/57/45/28/1079574528.db2.gz FOMZTYPFSJNJFG-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccncc1 ZINC001484397696 1079585933 /nfs/dbraw/zinc/58/59/33/1079585933.db2.gz KWWZUXWSFQVDCW-UHFFFAOYSA-N 0 3 307.397 2.337 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1OC ZINC001484398499 1079586704 /nfs/dbraw/zinc/58/67/04/1079586704.db2.gz AHQXGPUBDANYIN-ZWKOTPCHSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)c2cccnc2)cc1 ZINC001267939866 1079619706 /nfs/dbraw/zinc/61/97/06/1079619706.db2.gz YROLDNPWPBVDJB-HNNXBMFYSA-N 0 3 307.397 2.224 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC001267949901 1079628587 /nfs/dbraw/zinc/62/85/87/1079628587.db2.gz RFGOXHJEIQMZGH-QGZVFWFLSA-N 0 3 302.393 2.362 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC(=O)N(CC)CC ZINC001267957344 1079638845 /nfs/dbraw/zinc/63/88/45/1079638845.db2.gz VQDQYMCJNVOWPX-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1ncc(CNCC[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)o1 ZINC001484519643 1079639740 /nfs/dbraw/zinc/63/97/40/1079639740.db2.gz HCWKWGOTYSEAFE-HNNXBMFYSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)nn2C)cc1 ZINC001484558848 1079659822 /nfs/dbraw/zinc/65/98/22/1079659822.db2.gz CCJYWICNFGINEM-OAHLLOKOSA-N 0 3 324.428 2.332 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(OC)ccn2)cc1 ZINC001484560548 1079660967 /nfs/dbraw/zinc/66/09/67/1079660967.db2.gz GBWTWQIFCCTXJD-CQSZACIVSA-N 0 3 323.396 2.304 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1cnc(C)cn1 ZINC001267998511 1079679060 /nfs/dbraw/zinc/67/90/60/1079679060.db2.gz JTWYCVLIPWPLEE-ZDUSSCGKSA-N 0 3 304.438 2.229 20 30 DEEDHN CCOCCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001484625932 1079695470 /nfs/dbraw/zinc/69/54/70/1079695470.db2.gz CZRUJJPIFGBDOX-UHFFFAOYSA-N 0 3 321.446 2.175 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ncoc2C(C)(C)C)CCC1 ZINC001484658849 1079715127 /nfs/dbraw/zinc/71/51/27/1079715127.db2.gz QGBLDOQERFAFOV-UHFFFAOYSA-N 0 3 303.406 2.238 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)COC2CCC(C)CC2)CC1 ZINC001484729221 1079752410 /nfs/dbraw/zinc/75/24/10/1079752410.db2.gz HPYBSOQZKCIMJX-CGZBRXJRSA-N 0 3 306.450 2.186 20 30 DEEDHN CCC1(C(=O)N[C@H]2CCCN(CC#CCOC)CC2)CCC1 ZINC001484721044 1079757662 /nfs/dbraw/zinc/75/76/62/1079757662.db2.gz ZRBNMHSRRBLLQE-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)c2ccc[nH]2)C1 ZINC001481388488 1079774397 /nfs/dbraw/zinc/77/43/97/1079774397.db2.gz DEBWCLLKRVETHS-OAHLLOKOSA-N 0 3 305.422 2.144 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cc[nH]c1C(C)C ZINC001484754325 1079781157 /nfs/dbraw/zinc/78/11/57/1079781157.db2.gz WPLYWGJVPHZARI-UHFFFAOYSA-N 0 3 319.449 2.182 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)Cc2cncc(C)c2)C1 ZINC001481402640 1079790189 /nfs/dbraw/zinc/79/01/89/1079790189.db2.gz AVBFBORKPBOSRX-SFHVURJKSA-N 0 3 313.445 2.269 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1ccc(C)cc1 ZINC001484766991 1079792598 /nfs/dbraw/zinc/79/25/98/1079792598.db2.gz OZMQRNWQNVQKMM-UHFFFAOYSA-N 0 3 302.418 2.177 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cnn3ccccc23)C1 ZINC001481405759 1079793735 /nfs/dbraw/zinc/79/37/35/1079793735.db2.gz CCUODHCBCCTOTK-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001484822430 1079815119 /nfs/dbraw/zinc/81/51/19/1079815119.db2.gz 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1079939434 /nfs/dbraw/zinc/93/94/34/1079939434.db2.gz WHNKYGWMEVTXNU-ZIAGYGMSSA-N 0 3 316.392 2.300 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2ccncc2)C1 ZINC001485097028 1079980022 /nfs/dbraw/zinc/98/00/22/1079980022.db2.gz FZFCHCXUODOXPI-UHFFFAOYSA-N 0 3 307.825 2.251 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1cccn1C ZINC001485123665 1080001912 /nfs/dbraw/zinc/00/19/12/1080001912.db2.gz GKDQKEVPTQXVEG-HZPDHXFCSA-N 0 3 309.413 2.173 20 30 DEEDHN C=CCn1cc(C(=O)N[C@H]2CCCN(CCCCCC)C2)nn1 ZINC001481537385 1080024764 /nfs/dbraw/zinc/02/47/64/1080024764.db2.gz BZAIDPKQWDHSCP-HNNXBMFYSA-N 0 3 319.453 2.239 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1ccc(OC)nc1 ZINC001268081392 1080033949 /nfs/dbraw/zinc/03/39/49/1080033949.db2.gz ONZBTURGOKSESG-HNNXBMFYSA-N 0 3 317.433 2.220 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001656080235 1080034880 /nfs/dbraw/zinc/03/48/80/1080034880.db2.gz BIQIPDGMUZLONK-AWEZNQCLSA-N 0 3 322.453 2.242 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001656150932 1080054898 /nfs/dbraw/zinc/05/48/98/1080054898.db2.gz ZQYMPUDGRCQKDC-HYVNUMGLSA-N 0 3 320.383 2.410 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cn(C)cn1 ZINC001656430667 1080088700 /nfs/dbraw/zinc/08/87/00/1080088700.db2.gz WNULMFFJKQZTJF-DOMZBBRYSA-N 0 3 324.856 2.393 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001656871025 1080131741 /nfs/dbraw/zinc/13/17/41/1080131741.db2.gz ILTMWWRIWXBIGL-KRWDZBQOSA-N 0 3 316.445 2.139 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC001657029473 1080148393 /nfs/dbraw/zinc/14/83/93/1080148393.db2.gz RCSITTPLTVHARS-PBHICJAKSA-N 0 3 318.417 2.090 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001657102673 1080156410 /nfs/dbraw/zinc/15/64/10/1080156410.db2.gz XUPWAVPOKSJFTJ-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2ccnn2C)CCCCC1 ZINC001485448091 1080220340 /nfs/dbraw/zinc/22/03/40/1080220340.db2.gz 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1080355713 /nfs/dbraw/zinc/35/57/13/1080355713.db2.gz XPJQZSBHRHSJPF-LBPRGKRZSA-N 0 3 320.355 2.064 20 30 DEEDHN C#CCN(CCCNC(=O)c1nc(Cl)sc1C)C1CC1 ZINC001660703730 1080383378 /nfs/dbraw/zinc/38/33/78/1080383378.db2.gz QPWXCJOHSXPMBS-UHFFFAOYSA-N 0 3 311.838 2.322 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001660722970 1080386532 /nfs/dbraw/zinc/38/65/32/1080386532.db2.gz QNTITEZQJCJBQN-ZWKOTPCHSA-N 0 3 311.429 2.179 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2cncc(C)c2)CC1 ZINC001660767965 1080393181 /nfs/dbraw/zinc/39/31/81/1080393181.db2.gz DOCKKZZOEQZBRL-UHFFFAOYSA-N 0 3 317.433 2.129 20 30 DEEDHN N#CCSCC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001660802077 1080399350 /nfs/dbraw/zinc/39/93/50/1080399350.db2.gz SBQYXSZTDSNJTP-HNNXBMFYSA-N 0 3 307.463 2.324 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(N(C)CC(=O)NC(C)C)CC1 ZINC001485761408 1080418584 /nfs/dbraw/zinc/41/85/84/1080418584.db2.gz OPGFZEOTCAJVKR-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)Oc2ccccc2)C1 ZINC001481750132 1080438297 /nfs/dbraw/zinc/43/82/97/1080438297.db2.gz HAWPFPKCNCJIFI-JKSUJKDBSA-N 0 3 300.402 2.010 20 30 DEEDHN C=CCCCC(=O)N(CC)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001481772957 1080487806 /nfs/dbraw/zinc/48/78/06/1080487806.db2.gz MPHIUJNSYCUZPH-QGZVFWFLSA-N 0 3 318.465 2.242 20 30 DEEDHN CC[C@@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001661527303 1080490953 /nfs/dbraw/zinc/49/09/53/1080490953.db2.gz ZRWSVPAJQWEZMP-MGNMYUMUSA-N 0 3 306.450 2.184 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](C)c2ccncc2)C1 ZINC001661722608 1080513675 /nfs/dbraw/zinc/51/36/75/1080513675.db2.gz AJCQQLAGXOMEKX-IRXDYDNUSA-N 0 3 313.445 2.427 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCCCC2)C1 ZINC001661976427 1080552056 /nfs/dbraw/zinc/55/20/56/1080552056.db2.gz CHUONLQTFRAIDP-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC[C@H](CNC(=O)c1ccn(CC)n1)NCC#Cc1ccccc1 ZINC001481856213 1080556375 /nfs/dbraw/zinc/55/63/75/1080556375.db2.gz QCSDZWYAIZGJLB-QGZVFWFLSA-N 0 3 324.428 2.053 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CC)NCc1ccns1 ZINC001481860510 1080559318 /nfs/dbraw/zinc/55/93/18/1080559318.db2.gz YTUHDKHPMRXOSR-SNPRPXQTSA-N 0 3 323.462 2.109 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc(N2CC=CC2)c1 ZINC001268480170 1080596335 /nfs/dbraw/zinc/59/63/35/1080596335.db2.gz DFGLDVCFPNUJPB-UHFFFAOYSA-N 0 3 311.429 2.138 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCn2ccc3ccccc32)C1 ZINC001662573285 1080618251 /nfs/dbraw/zinc/61/82/51/1080618251.db2.gz LFYYYEACOWCZCP-KRWDZBQOSA-N 0 3 309.413 2.245 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1nsc2ccccc21 ZINC001268499083 1080643758 /nfs/dbraw/zinc/64/37/58/1080643758.db2.gz FMJPCSCMZWVHID-UHFFFAOYSA-N 0 3 315.442 2.300 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2c(C)nn(C)c2C)cc1 ZINC001482033721 1080717994 /nfs/dbraw/zinc/71/79/94/1080717994.db2.gz ZHPIBDYUJPHOSV-UHFFFAOYSA-N 0 3 324.428 2.080 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CNCC#CC)cc1 ZINC001482034133 1080719372 /nfs/dbraw/zinc/71/93/72/1080719372.db2.gz HOQGEKIBQFWEPI-MSOLQXFVSA-N 0 3 312.413 2.007 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001663400804 1080741936 /nfs/dbraw/zinc/74/19/36/1080741936.db2.gz XMPPAWPANVSECQ-HNNXBMFYSA-N 0 3 308.809 2.268 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)C(C)(C)C1CCCC1 ZINC001268549437 1080744931 /nfs/dbraw/zinc/74/49/31/1080744931.db2.gz GGHHZRMXKQIYAY-VOTSOKGWSA-N 0 3 306.450 2.115 20 30 DEEDHN CCCc1nc(CNC[C@H](C)CNC(=O)[C@H](C)C#N)cs1 ZINC001482089200 1080792988 /nfs/dbraw/zinc/79/29/88/1080792988.db2.gz MDVDITCUPXXTIH-NWDGAFQWSA-N 0 3 308.451 2.097 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001663644536 1080796056 /nfs/dbraw/zinc/79/60/56/1080796056.db2.gz HZVQXCDBWDIXSR-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc2nccnc2c1 ZINC001663692121 1080804309 /nfs/dbraw/zinc/80/43/09/1080804309.db2.gz GUPHILBQMOTDDU-UHFFFAOYSA-N 0 3 310.401 2.095 20 30 DEEDHN O=C(C#CC1CC1)NCCN(CCOc1ccccc1)C1CC1 ZINC001663722481 1080808059 /nfs/dbraw/zinc/80/80/59/1080808059.db2.gz LYOHKDHMLBTKAK-UHFFFAOYSA-N 0 3 312.413 2.059 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc2c(cn1)OCCC2)C1CC1 ZINC001663773532 1080815044 /nfs/dbraw/zinc/81/50/44/1080815044.db2.gz UUXPGDXTAALUJI-UHFFFAOYSA-N 0 3 315.417 2.177 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccccc1-n1cccc1 ZINC001268585211 1080825430 /nfs/dbraw/zinc/82/54/30/1080825430.db2.gz MTEHTPPWXJDLPP-VOTSOKGWSA-N 0 3 307.397 2.376 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(F)cc2cccnc21 ZINC001268599883 1080882522 /nfs/dbraw/zinc/88/25/22/1080882522.db2.gz SDLSJQKEWMFTCK-SNAWJCMRSA-N 0 3 311.360 2.273 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC/C=C/CNC[C@@H](F)CC ZINC001268620658 1080897635 /nfs/dbraw/zinc/89/76/35/1080897635.db2.gz XPIPOXJOWACBQM-OZSKJFCKSA-N 0 3 302.393 2.221 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC001664578496 1080928267 /nfs/dbraw/zinc/92/82/67/1080928267.db2.gz OLXLAJCVANIYND-KKUMJFAQSA-N 0 3 306.356 2.358 20 30 DEEDHN 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C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(=O)N(C)C(C)C ZINC001482484608 1082033534 /nfs/dbraw/zinc/03/35/34/1082033534.db2.gz HXXYQFYCMPTWTI-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN CCC(C)(CC)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001271430473 1082039613 /nfs/dbraw/zinc/03/96/13/1082039613.db2.gz UUUYNINLWOPPAV-ULQDDVLXSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC001266452254 1082047255 /nfs/dbraw/zinc/04/72/55/1082047255.db2.gz LZKNOCFEUUBPAH-OAHLLOKOSA-N 0 3 304.438 2.057 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COCc1ccccc1C ZINC001266486420 1082069457 /nfs/dbraw/zinc/06/94/57/1082069457.db2.gz ODNKENMYJNUIAQ-QGZVFWFLSA-N 0 3 302.418 2.278 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001266495724 1082074705 /nfs/dbraw/zinc/07/47/05/1082074705.db2.gz SGVVKWVFLDNZIW-INIZCTEOSA-N 0 3 319.449 2.466 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2c(C)noc2C)C1 ZINC001266511771 1082092372 /nfs/dbraw/zinc/09/23/72/1082092372.db2.gz 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ZINC001266842949 1082386169 /nfs/dbraw/zinc/38/61/69/1082386169.db2.gz XWNONOODZQMEJR-AWEZNQCLSA-N 0 3 321.421 2.163 20 30 DEEDHN C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C=C(CC)CC ZINC001266863898 1082409341 /nfs/dbraw/zinc/40/93/41/1082409341.db2.gz MTJTUHNWNRFISO-INIZCTEOSA-N 0 3 321.465 2.006 20 30 DEEDHN Cc1cnc([C@H](C)NCC[C@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001482830889 1082522545 /nfs/dbraw/zinc/52/25/45/1082522545.db2.gz BOLIJMYBWHLYLZ-ZFWWWQNUSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCNCCN(CC)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001482969492 1082586480 /nfs/dbraw/zinc/58/64/80/1082586480.db2.gz NLTCNEBGKUHSQV-ZFWWWQNUSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCNCCN(CC)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001482969490 1082586826 /nfs/dbraw/zinc/58/68/26/1082586826.db2.gz NLTCNEBGKUHSQV-HIFRSBDPSA-N 0 3 306.356 2.140 20 30 DEEDHN CCCC#CC(=O)N1CCC[C@@]2(C1)CN(C1CCCC1)CCO2 ZINC001272112108 1082587375 /nfs/dbraw/zinc/58/73/75/1082587375.db2.gz MQMLEMOVALUOML-IBGZPJMESA-N 0 3 318.461 2.426 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]1(C)OCCc2ccccc21 ZINC001272186045 1082625640 /nfs/dbraw/zinc/62/56/40/1082625640.db2.gz XBYONGPPBNLPLN-LJQANCHMSA-N 0 3 316.445 2.441 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(C(F)(F)F)ccn1 ZINC001496816393 1082659922 /nfs/dbraw/zinc/65/99/22/1082659922.db2.gz JGEMNBFNPBCGKG-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1CC=CC1 ZINC001483116934 1082723323 /nfs/dbraw/zinc/72/33/23/1082723323.db2.gz XCXJPDITXDNWAA-GFCCVEGCSA-N 0 3 301.365 2.258 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)c1ncccc1F ZINC001483178544 1082793386 /nfs/dbraw/zinc/79/33/86/1082793386.db2.gz CTOWSVCKBNVSQQ-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C(C)(C)c1ccc(C)cc1 ZINC001483186548 1082797363 /nfs/dbraw/zinc/79/73/63/1082797363.db2.gz SYQARGZKMQPJPI-MRXNPFEDSA-N 0 3 316.445 2.017 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC1(F)F)N(C)Cc1cccc(C#N)c1 ZINC001409559773 1082954247 /nfs/dbraw/zinc/95/42/47/1082954247.db2.gz 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ZINC001276717841 1083567814 /nfs/dbraw/zinc/56/78/14/1083567814.db2.gz RPVQTDPFYFVWEN-TUVASFSCSA-N 0 3 302.443 2.169 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2ccccn2)C1 ZINC001107687922 1083594274 /nfs/dbraw/zinc/59/42/74/1083594274.db2.gz WBALFHXKWBUSMH-CRAIPNDOSA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001276964969 1083706922 /nfs/dbraw/zinc/70/69/22/1083706922.db2.gz ZVSOCGSOQZSYJC-HNNXBMFYSA-N 0 3 318.417 2.013 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001276985603 1083721036 /nfs/dbraw/zinc/72/10/36/1083721036.db2.gz DZCLBTCGFRIXAT-KGLIPLIRSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCn1cc(CNC23CC(C(=O)N(CC)C(C)C)(C2)C3)cn1 ZINC001277022838 1083736113 /nfs/dbraw/zinc/73/61/13/1083736113.db2.gz SIRGVIALVZIRLE-UHFFFAOYSA-N 0 3 316.449 2.338 20 30 DEEDHN Cc1cnc([C@@H](C)NCCC[C@@H](C)NC(=O)C#CC(C)C)cn1 ZINC001277187611 1083838538 /nfs/dbraw/zinc/83/85/38/1083838538.db2.gz VXEIQBKYLUVFTL-GDBMZVCRSA-N 0 3 316.449 2.380 20 30 DEEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NCc1c[nH]cn1 ZINC001277226271 1083855573 /nfs/dbraw/zinc/85/55/73/1083855573.db2.gz UMPJDFPXDLQPRK-PBHICJAKSA-N 0 3 304.438 2.461 20 30 DEEDHN N#CCC1CN(C(=O)c2ccc3c(n2)CCN(CC2CCC2)C3)C1 ZINC001277303224 1083903214 /nfs/dbraw/zinc/90/32/14/1083903214.db2.gz NIOPSLHAQQNCBU-UHFFFAOYSA-N 0 3 324.428 2.225 20 30 DEEDHN CC(C)[C@@H](C(=O)NCCN(CC#N)C1CCCCCC1)N(C)C ZINC001277382115 1083936930 /nfs/dbraw/zinc/93/69/30/1083936930.db2.gz GUFGNRUDKNAAPI-KRWDZBQOSA-N 0 3 322.497 2.237 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCOC ZINC001277426023 1083962374 /nfs/dbraw/zinc/96/23/74/1083962374.db2.gz WPESNFVLSKMKPD-CALCHBBNSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1[O-] ZINC001277464396 1083984757 /nfs/dbraw/zinc/98/47/57/1083984757.db2.gz VATMUFUHQACCLX-FXAWDEMLSA-N 0 3 324.424 2.484 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1[O-] ZINC001277464396 1083984762 /nfs/dbraw/zinc/98/47/62/1083984762.db2.gz VATMUFUHQACCLX-FXAWDEMLSA-N 0 3 324.424 2.484 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001491042209 1084025426 /nfs/dbraw/zinc/02/54/26/1084025426.db2.gz NKUXTPNZXWNEBS-WCFLWFBJSA-N 0 3 305.426 2.013 20 30 DEEDHN Cc1cncc(CN2CCC[C@@H](CNC(=O)C#CC3CC3)C2)c1 ZINC001491104720 1084075411 /nfs/dbraw/zinc/07/54/11/1084075411.db2.gz MCAIGPVLBLIVGU-KRWDZBQOSA-N 0 3 311.429 2.132 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)COc2ccc(C)cc2)C1 ZINC001491128206 1084094114 /nfs/dbraw/zinc/09/41/14/1084094114.db2.gz KBDGJPJOMKDDKF-QGZVFWFLSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCc2c(C)noc2Cl)C1 ZINC001491134049 1084103350 /nfs/dbraw/zinc/10/33/50/1084103350.db2.gz RTYMPDCPFUXTJF-CYBMUJFWSA-N 0 3 323.824 2.030 20 30 DEEDHN C[C@@H]1C[C@H](NCc2cnns2)CCN1C(=O)C#CC(C)(C)C ZINC001277739327 1084122763 /nfs/dbraw/zinc/12/27/63/1084122763.db2.gz HJHYQNFULAHQCN-CHWSQXEVSA-N 0 3 320.462 2.057 20 30 DEEDHN C=CCCCCN1CCc2c(n[nH]c2C(=O)Nc2cn[nH]c2)C1 ZINC001277788724 1084150195 /nfs/dbraw/zinc/15/01/95/1084150195.db2.gz NJLMDIUPBGLZAU-UHFFFAOYSA-N 0 3 314.393 2.100 20 30 DEEDHN CC(=O)O/N=C(/C)c1ccccc1O[C@@H]1CN2CCC1CC2 ZINC001234848250 1084219792 /nfs/dbraw/zinc/21/97/92/1084219792.db2.gz YRGXYSRWGGSICY-ZCWPUFOUSA-N 0 3 302.374 2.447 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2c(C)noc2Cl)C1 ZINC001491298553 1084220604 /nfs/dbraw/zinc/22/06/04/1084220604.db2.gz VXKHRRMYRCIXAO-AAEUAGOBSA-N 0 3 323.824 2.029 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCNCc1ccnc(OC)c1 ZINC001128081147 1084260464 /nfs/dbraw/zinc/26/04/64/1084260464.db2.gz DDQCFLKIBYVLPM-UHFFFAOYSA-N 0 3 303.406 2.064 20 30 DEEDHN Cc1nc(CNC[C@H](C)CNC(=O)C#CC(C)C)c(C)s1 ZINC001495660254 1084301943 /nfs/dbraw/zinc/30/19/43/1084301943.db2.gz OPVDUUOHPGQLFG-LBPRGKRZSA-N 0 3 307.463 2.261 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccoc1)NCc1ccc(F)c(C#N)c1 ZINC001491435988 1084310743 /nfs/dbraw/zinc/31/07/43/1084310743.db2.gz UDTZPYANDIWUKD-GFCCVEGCSA-N 0 3 315.348 2.127 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491437010 1084312506 /nfs/dbraw/zinc/31/25/06/1084312506.db2.gz GJEMDGOWMDTRCU-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001077928405 1084357948 /nfs/dbraw/zinc/35/79/48/1084357948.db2.gz HLYIPDYAYPKDCE-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc3[nH]cnc3c2)C1=O ZINC001272862376 1084387707 /nfs/dbraw/zinc/38/77/07/1084387707.db2.gz NKHQZWZXGICWLF-GOSISDBHSA-N 0 3 310.401 2.316 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc3nc[nH]c3c2)C1=O ZINC001272862376 1084387716 /nfs/dbraw/zinc/38/77/16/1084387716.db2.gz NKHQZWZXGICWLF-GOSISDBHSA-N 0 3 310.401 2.316 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3cccc(O)c3)CC2)C1=O ZINC001272900700 1084450198 /nfs/dbraw/zinc/45/01/98/1084450198.db2.gz WYWCRBQGFCFAMD-UHFFFAOYSA-N 0 3 300.402 2.393 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001277969976 1084521853 /nfs/dbraw/zinc/52/18/53/1084521853.db2.gz YOAQYTKOFGHLJL-NSHDSACASA-N 0 3 313.323 2.174 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001277968113 1084529492 /nfs/dbraw/zinc/52/94/92/1084529492.db2.gz BOTWJXMMTQGXIN-GJZGRUSLSA-N 0 3 320.408 2.016 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C)CC2(CCOCC2)C1 ZINC001089967631 1084640960 /nfs/dbraw/zinc/64/09/60/1084640960.db2.gz FLNIUKAXAITVPC-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)CCC[C@@H](C)CCC)C1=O ZINC001128151912 1084648806 /nfs/dbraw/zinc/64/88/06/1084648806.db2.gz CJSGQNMYHHLAJD-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Br)CN[C@@H]1C[C@@H](NC(=O)C(F)F)C12CCC2 ZINC001078521064 1084734139 /nfs/dbraw/zinc/73/41/39/1084734139.db2.gz KLURSETYDCMQCO-RKDXNWHRSA-N 0 3 323.181 2.177 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cncnc2C)C12CCC2 ZINC001078557890 1084740584 /nfs/dbraw/zinc/74/05/84/1084740584.db2.gz CWRQLPTURHRMGF-UONOGXRCSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)no2)C12CCC2 ZINC001078550633 1084744447 /nfs/dbraw/zinc/74/44/47/1084744447.db2.gz GUXPTBHYYMKINZ-STQMWFEESA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)n(C)n2)C12CCC2 ZINC001078571129 1084750997 /nfs/dbraw/zinc/75/09/97/1084750997.db2.gz GDVIXIDNBUZAOD-KBPBESRZSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(CC)c2)C12CCC2 ZINC001078580461 1084756599 /nfs/dbraw/zinc/75/65/99/1084756599.db2.gz HJZKDDSCXQWGKK-UONOGXRCSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ocnc2C)C12CCC2 ZINC001078591581 1084761283 /nfs/dbraw/zinc/76/12/83/1084761283.db2.gz TXHOVXFAGXGCHY-RYUDHWBXSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccn(C)c2)C12CCC2 ZINC001078597181 1084763044 /nfs/dbraw/zinc/76/30/44/1084763044.db2.gz SGPPSDGSLMHOLP-KGLIPLIRSA-N 0 3 307.825 2.408 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)n[nH]c2C)C12CCC2 ZINC001078752943 1084848309 /nfs/dbraw/zinc/84/83/09/1084848309.db2.gz VKGRUJQCKLZFBF-STQMWFEESA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)C12CCC2 ZINC001078752942 1084849184 /nfs/dbraw/zinc/84/91/84/1084849184.db2.gz VKGRUJQCKLZFBF-QWHCGFSZSA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C12CCC2 ZINC001078738841 1084853179 /nfs/dbraw/zinc/85/31/79/1084853179.db2.gz JDOOPRRBCIMOMX-VXGBXAGGSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2[nH]cnc2CC)C12CCC2 ZINC001078795019 1084899232 /nfs/dbraw/zinc/89/92/32/1084899232.db2.gz MHUDMLQSGGWGNM-CHWSQXEVSA-N 0 3 322.840 2.355 20 30 DEEDHN CCCOCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001485855849 1084932477 /nfs/dbraw/zinc/93/24/77/1084932477.db2.gz QXCDYZYOQYXNEA-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)N[C@@H]1CCCc2ccccc21 ZINC001486024844 1085031612 /nfs/dbraw/zinc/03/16/12/1085031612.db2.gz URIPBTKMCFJRJD-DOTOQJQBSA-N 0 3 316.445 2.343 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@H]1C ZINC001486096042 1085056149 /nfs/dbraw/zinc/05/61/49/1085056149.db2.gz OMYWAYVGZUJPDN-HIFRSBDPSA-N 0 3 323.462 2.123 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001486130303 1085078874 /nfs/dbraw/zinc/07/88/74/1085078874.db2.gz QPGGTFNFOBYEQM-QAETUUGQSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@H](NCc3nccn3C)[C@H]2C1 ZINC001486156233 1085097692 /nfs/dbraw/zinc/09/76/92/1085097692.db2.gz LDJJXPVKSUUNNQ-JYJNAYRXSA-N 0 3 316.449 2.103 20 30 DEEDHN Cc1cc(CNC[C@@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)on1 ZINC001486200858 1085127295 /nfs/dbraw/zinc/12/72/95/1085127295.db2.gz PAOKBXYXSQXBFU-HUUCEWRRSA-N 0 3 303.406 2.017 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)n1cccn1 ZINC000960252261 1085164900 /nfs/dbraw/zinc/16/49/00/1085164900.db2.gz IWNPZDNAACGMNY-BMGDILEWSA-N 0 3 324.428 2.392 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)CCc1cccc(Cl)c1 ZINC001486342343 1085222535 /nfs/dbraw/zinc/22/25/35/1085222535.db2.gz AJKQVVJOAFOYJM-INIZCTEOSA-N 0 3 324.852 2.210 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@@H](C)Cc1cnn(C)c1)C(C)C ZINC001486377807 1085254753 /nfs/dbraw/zinc/25/47/53/1085254753.db2.gz OEHMRGMEBAXYFU-INIZCTEOSA-N 0 3 320.481 2.344 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CCc1cncn1C)C(C)C ZINC001486379340 1085256059 /nfs/dbraw/zinc/25/60/59/1085256059.db2.gz LEQKLBIJWKPKJY-UHFFFAOYSA-N 0 3 306.454 2.098 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)c1ccon1 ZINC000960435592 1085280302 /nfs/dbraw/zinc/28/03/02/1085280302.db2.gz AGMOSSKFTRVFSY-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN CC/C(C)=C\C(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001486445717 1085317343 /nfs/dbraw/zinc/31/73/43/1085317343.db2.gz KDUXMBUWWJOTTN-FCFCDCELSA-N 0 3 306.450 2.209 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000960502222 1085318234 /nfs/dbraw/zinc/31/82/34/1085318234.db2.gz MGSHXSLRPFAGMW-CZUORRHYSA-N 0 3 303.381 2.408 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)Cc3cccs3)CC2)CC1 ZINC001486486238 1085358974 /nfs/dbraw/zinc/35/89/74/1085358974.db2.gz FGKURSVHBLYDSC-UHFFFAOYSA-N 0 3 302.443 2.285 20 30 DEEDHN CC/C(C)=C/C(=O)NC1(C2CCN(CC#CCOC)CC2)CC1 ZINC001486488343 1085368178 /nfs/dbraw/zinc/36/81/78/1085368178.db2.gz FCQGHNYIQACHKA-FOCLMDBBSA-N 0 3 318.461 2.353 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(C2CCN(Cc3cccnc3)CC2)CC1 ZINC001486486860 1085374985 /nfs/dbraw/zinc/37/49/85/1085374985.db2.gz CJGAGQCPASIXGB-CQSZACIVSA-N 0 3 312.417 2.102 20 30 DEEDHN N#CCCCN1CCC2(CCN(Cc3cccnc3)CC2)C1=O ZINC001272947708 1085400779 /nfs/dbraw/zinc/40/07/79/1085400779.db2.gz DKIOJKXSJIMIRK-UHFFFAOYSA-N 0 3 312.417 2.200 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)cc2ccoc21 ZINC000960674357 1085409543 /nfs/dbraw/zinc/40/95/43/1085409543.db2.gz PQWHUVVCHHYTAZ-FICVDOATSA-N 0 3 300.333 2.418 20 30 DEEDHN CN(C/C=C/Cl)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001494191258 1085545131 /nfs/dbraw/zinc/54/51/31/1085545131.db2.gz DHNKFHALRDUPID-GORDUTHDSA-N 0 3 320.824 2.423 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@H]3CCN(CCF)C3)C2)c1 ZINC000961135486 1085604249 /nfs/dbraw/zinc/60/42/49/1085604249.db2.gz GIQRSTOZHHYCFD-CABCVRRESA-N 0 3 318.396 2.030 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965621068 1085627240 /nfs/dbraw/zinc/62/72/40/1085627240.db2.gz FMDSVRDKKMQXRF-ZANVPECISA-N 0 3 310.829 2.219 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)COCCN(Cc1ccc(C)cc1)C2 ZINC001272971453 1085728868 /nfs/dbraw/zinc/72/88/68/1085728868.db2.gz JHJPFBIDDHYUMN-IBGZPJMESA-N 0 3 314.429 2.232 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2C=CC=CC=C2)cc1F ZINC001128383775 1085749136 /nfs/dbraw/zinc/74/91/36/1085749136.db2.gz CKQVDWGMRQGHED-UHFFFAOYSA-N 0 3 311.360 2.202 20 30 DEEDHN C=C(C)CCC(=O)NCCNC[C@H](O)c1ccc(F)cc1F ZINC001128418312 1085772590 /nfs/dbraw/zinc/77/25/90/1085772590.db2.gz MIRCXOJYIHTZAL-HNNXBMFYSA-N 0 3 312.360 2.060 20 30 DEEDHN C=C(C)CCC(=O)NCCNCC(=O)NC1CCCCCCC1 ZINC001128414267 1085772988 /nfs/dbraw/zinc/77/29/88/1085772988.db2.gz WYJVFQDZFGTWEW-UHFFFAOYSA-N 0 3 323.481 2.278 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)c2ccc[nH]2)C1 ZINC000961549495 1085783682 /nfs/dbraw/zinc/78/36/82/1085783682.db2.gz SEBNJBJMWVBVBY-UHFFFAOYSA-N 0 3 308.385 2.185 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001272998528 1085859880 /nfs/dbraw/zinc/85/98/80/1085859880.db2.gz DHWNTJBPWLWNLD-OAHLLOKOSA-N 0 3 308.834 2.459 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(CC)o1)CC2 ZINC001272999737 1085864896 /nfs/dbraw/zinc/86/48/96/1085864896.db2.gz QXOILJHVZGCROJ-INIZCTEOSA-N 0 3 300.402 2.194 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cccc(F)c1C)CC2 ZINC001273006115 1085886537 /nfs/dbraw/zinc/88/65/37/1085886537.db2.gz OVNNGESFQAWWNN-MRXNPFEDSA-N 0 3 314.404 2.486 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(CC)CC)no1 ZINC000961969972 1085924226 /nfs/dbraw/zinc/92/42/26/1085924226.db2.gz CFRANJDMJPMAOV-VIKVFOODSA-N 0 3 303.406 2.424 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H](C)CC)no1 ZINC000961972058 1085925696 /nfs/dbraw/zinc/92/56/96/1085925696.db2.gz JXNACTJYXGDMRJ-FOCJUVANSA-N 0 3 303.406 2.424 20 30 DEEDHN C=C1CCC(C(=O)NC2CC(CNCc3cnns3)C2)CC1 ZINC000962264590 1086042270 /nfs/dbraw/zinc/04/22/70/1086042270.db2.gz FJKHMDARNXXOLC-UHFFFAOYSA-N 0 3 320.462 2.269 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(Cl)nc1Cl ZINC000962589515 1086176042 /nfs/dbraw/zinc/17/60/42/1086176042.db2.gz JTIWJMBNWTYVFI-JIGDXULJSA-N 0 3 318.229 2.296 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)COC)C1 ZINC000963198565 1086324750 /nfs/dbraw/zinc/32/47/50/1086324750.db2.gz ZOSMULKSTCISSO-ZIAGYGMSSA-N 0 3 300.830 2.088 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001062059505 1086731463 /nfs/dbraw/zinc/73/14/63/1086731463.db2.gz YZYJGHSDBFFNCG-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN CCCCN1CC[C@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001273178218 1087190824 /nfs/dbraw/zinc/19/08/24/1087190824.db2.gz VGLQIAZSBUZDNH-SFHVURJKSA-N 0 3 312.417 2.178 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2C)[C@@H](O)C1 ZINC001090284173 1087211686 /nfs/dbraw/zinc/21/16/86/1087211686.db2.gz TVOWLWQVMFIBNQ-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1(CNC(=O)CN(CC)CC)CCC1 ZINC001063130038 1087356717 /nfs/dbraw/zinc/35/67/17/1087356717.db2.gz ZTIHAAAXQMMSRP-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001090289754 1087427715 /nfs/dbraw/zinc/42/77/15/1087427715.db2.gz LRXBNVVKOMNJBQ-CABCVRRESA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001063848836 1087494267 /nfs/dbraw/zinc/49/42/67/1087494267.db2.gz AVQKMGPTCMOLDX-MRXNPFEDSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001064108667 1087549270 /nfs/dbraw/zinc/54/92/70/1087549270.db2.gz BDUIBQOKUHBVOW-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001064397138 1087590534 /nfs/dbraw/zinc/59/05/34/1087590534.db2.gz IGCPRXRYBVEBAP-PBHICJAKSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@H](O)C1 ZINC001090330157 1087682523 /nfs/dbraw/zinc/68/25/23/1087682523.db2.gz SEDAXQOXYJVVOO-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1cccc(F)c1 ZINC001079200626 1087743815 /nfs/dbraw/zinc/74/38/15/1087743815.db2.gz BQQIBANYBQPJEP-GVDBMIGSSA-N 0 3 312.388 2.143 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)/C(C)=C\C)[C@@H]3COC[C@@H]32)CC1 ZINC001079233272 1087766288 /nfs/dbraw/zinc/76/62/88/1087766288.db2.gz MHKGUUXDJKYMND-IXYKTBMVSA-N 0 3 304.434 2.078 20 30 DEEDHN Cc1cccnc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001490882264 1088263986 /nfs/dbraw/zinc/26/39/86/1088263986.db2.gz DYKZBTLLRHWGHO-IYARVYRRSA-N 0 3 319.408 2.292 20 30 DEEDHN C=C(C)CN1CC(N(CC)C(=O)c2ccccc2CN(C)C)C1 ZINC000957422243 1088275419 /nfs/dbraw/zinc/27/54/19/1088275419.db2.gz PTWKVIQIAYZIMC-UHFFFAOYSA-N 0 3 315.461 2.471 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001079955077 1088513659 /nfs/dbraw/zinc/51/36/59/1088513659.db2.gz FWFQBYCKZONNDP-RRFJBIMHSA-N 0 3 316.449 2.092 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114795272 1088529462 /nfs/dbraw/zinc/52/94/62/1088529462.db2.gz ZIZFNQJYTQGXPX-MUQADHOPSA-N 0 3 306.450 2.062 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001079989416 1088537043 /nfs/dbraw/zinc/53/70/43/1088537043.db2.gz XOELPRYCXZIEIH-CZUORRHYSA-N 0 3 312.417 2.200 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001080114015 1088632985 /nfs/dbraw/zinc/63/29/85/1088632985.db2.gz YHKGGDSFVOVCHK-RDTXWAMCSA-N 0 3 309.413 2.400 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001080153304 1088650277 /nfs/dbraw/zinc/65/02/77/1088650277.db2.gz GGZPPFKQASYADF-JKIFEVAISA-N 0 3 312.413 2.083 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001080209822 1088682455 /nfs/dbraw/zinc/68/24/55/1088682455.db2.gz DYFWRUCVSUYXIG-RHSMWYFYSA-N 0 3 310.401 2.108 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001080354391 1088849835 /nfs/dbraw/zinc/84/98/35/1088849835.db2.gz ODCZVCIQUAPKOJ-MEBBXXQBSA-N 0 3 310.319 2.177 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC000958267394 1088895185 /nfs/dbraw/zinc/89/51/85/1088895185.db2.gz NGOCTGRVFJREQK-HOCLYGCPSA-N 0 3 322.836 2.247 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001276320215 1088973049 /nfs/dbraw/zinc/97/30/49/1088973049.db2.gz QHMXVLKMVUKMGI-GOSISDBHSA-N 0 3 313.445 2.181 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(C)c3ccccc23)[C@H](O)C1 ZINC000958439162 1088990820 /nfs/dbraw/zinc/99/08/20/1088990820.db2.gz TWCGUTICRFXOCF-DNVCBOLYSA-N 0 3 324.424 2.357 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000958462606 1089001153 /nfs/dbraw/zinc/00/11/53/1089001153.db2.gz DIFQNVOSGXMXJY-UYFTZEKXSA-N 0 3 320.477 2.188 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000958515993 1089039768 /nfs/dbraw/zinc/03/97/68/1089039768.db2.gz NJVKJEWUEKRAPK-TVFCKZIOSA-N 0 3 322.493 2.434 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C=C2CCC2)cc1 ZINC000958552084 1089051116 /nfs/dbraw/zinc/05/11/16/1089051116.db2.gz MBYZMNREXGBWLP-DZFIZOCASA-N 0 3 307.397 2.215 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3ccsc32)C1 ZINC000958559039 1089057710 /nfs/dbraw/zinc/05/77/10/1089057710.db2.gz LSGOOVBETUUEGS-HIFRSBDPSA-N 0 3 316.426 2.110 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC000958734403 1089156640 /nfs/dbraw/zinc/15/66/40/1089156640.db2.gz ZLJTUWPAYLSQPY-STQMWFEESA-N 0 3 308.447 2.080 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC000958735319 1089156813 /nfs/dbraw/zinc/15/68/13/1089156813.db2.gz BAHFIWRPUYJMPA-MSOLQXFVSA-N 0 3 314.429 2.163 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001080741760 1089160569 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C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001098880735 1090025060 /nfs/dbraw/zinc/02/50/60/1090025060.db2.gz RIRACEYQKDKEKG-HNNXBMFYSA-N 0 3 319.449 2.438 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1 ZINC001084427869 1090287111 /nfs/dbraw/zinc/28/71/11/1090287111.db2.gz VHGLYFQTGBJDMT-NVXWUHKLSA-N 0 3 323.396 2.306 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3c4c[nH]nc4ccc3C)[C@@H]2C1 ZINC001084470049 1090298865 /nfs/dbraw/zinc/29/88/65/1090298865.db2.gz YRGDMGHASHLXFD-RHSMWYFYSA-N 0 3 322.412 2.041 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)nn(C)c3Cl)[C@@H]2C1 ZINC001084559928 1090332388 /nfs/dbraw/zinc/33/23/88/1090332388.db2.gz ZSJFIOYZHXYFFZ-CHWSQXEVSA-N 0 3 322.840 2.104 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3cc(C)on3)[C@@H]2C1 ZINC001084652840 1090365024 /nfs/dbraw/zinc/36/50/24/1090365024.db2.gz NDHYXRFPTKMGSE-GDBMZVCRSA-N 0 3 303.406 2.024 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001084682935 1090386724 /nfs/dbraw/zinc/38/67/24/1090386724.db2.gz IVRMPJFUGXXISN-RTBURBONSA-N 0 3 310.441 2.484 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3OC)[C@@H]2C1 ZINC001084784779 1090444580 /nfs/dbraw/zinc/44/45/80/1090444580.db2.gz FORIYGWQMKVVQJ-NVXWUHKLSA-N 0 3 312.413 2.173 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3cc(C)ccc3F)[C@@H]2C1 ZINC001084787948 1090445351 /nfs/dbraw/zinc/44/53/51/1090445351.db2.gz OZROGJKWVRTEKB-CRAIPNDOSA-N 0 3 314.404 2.233 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)noc3CC)[C@@H]2C1 ZINC001084823891 1090462896 /nfs/dbraw/zinc/46/28/96/1090462896.db2.gz XBVIGPWYFYVQBL-ZIAGYGMSSA-N 0 3 303.406 2.268 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC(C3CC3)C3CC3)[C@@H]2C1 ZINC001084854907 1090477980 /nfs/dbraw/zinc/47/79/80/1090477980.db2.gz BTKXIZGDNIUFAQ-SJLPKXTDSA-N 0 3 300.446 2.369 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3cncnc3)CC2)C1=O ZINC001273258868 1090625948 /nfs/dbraw/zinc/62/59/48/1090625948.db2.gz VWCOHGVJQVHVQR-SFHVURJKSA-N 0 3 314.433 2.257 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001085164105 1090681969 /nfs/dbraw/zinc/68/19/69/1090681969.db2.gz QCCUSMNRUFFLJN-CHWSQXEVSA-N 0 3 306.797 2.269 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cc(O)cc(O)c3)C2)C1=O ZINC001273316013 1091016987 /nfs/dbraw/zinc/01/69/87/1091016987.db2.gz KFMYXUNUBOUGFQ-SFHVURJKSA-N 0 3 316.401 2.098 20 30 DEEDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001274279264 1091163737 /nfs/dbraw/zinc/16/37/37/1091163737.db2.gz FFVNJGDVLFYBRJ-KDOFPFPSSA-N 0 3 312.417 2.176 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cc4ncccc4[nH]3)CC2)C1=O ZINC001274299866 1091177348 /nfs/dbraw/zinc/17/73/48/1091177348.db2.gz GMFRFXCFRNXZMZ-UHFFFAOYSA-N 0 3 322.412 2.011 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C2(CF)CCC2)c1 ZINC001274371838 1091208580 /nfs/dbraw/zinc/20/85/80/1091208580.db2.gz ZCCDPIJEYPNKMJ-UPHRSURJSA-N 0 3 315.392 2.460 20 30 DEEDHN C=CCCCC(=O)N1CCN(C2CN(CC3CC(C)C3)C2)CC1 ZINC001274474302 1091260779 /nfs/dbraw/zinc/26/07/79/1091260779.db2.gz JEDLKCWXIPCLKT-UHFFFAOYSA-N 0 3 319.493 2.217 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(C)nc3C)CC2)C1=O ZINC001274477913 1091263745 /nfs/dbraw/zinc/26/37/45/1091263745.db2.gz LDCFTSCSUOQVNB-UHFFFAOYSA-N 0 3 311.429 2.146 20 30 DEEDHN C#CCN1c2ccccc2[C@@]2(CCN(Cc3ccns3)C2)C1=O ZINC001274504164 1091273295 /nfs/dbraw/zinc/27/32/95/1091273295.db2.gz VTMAWDNMHWZEMB-SFHVURJKSA-N 0 3 323.421 2.267 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3c[nH]c(C)n3)CC2)C1=O ZINC001274576408 1091304927 /nfs/dbraw/zinc/30/49/27/1091304927.db2.gz NFTSQCVVSADABO-KRWDZBQOSA-N 0 3 302.422 2.109 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)C[C@@H](C=C)CC)C2)CC1 ZINC001280693718 1091311682 /nfs/dbraw/zinc/31/16/82/1091311682.db2.gz UUQZRFSXHGSOPF-ROUUACIJSA-N 0 3 319.493 2.383 20 30 DEEDHN CC(C)CO[C@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274693059 1091373012 /nfs/dbraw/zinc/37/30/12/1091373012.db2.gz BENBVYYIOBZJPN-IAGOWNOFSA-N 0 3 316.445 2.194 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2c[nH]c3ccc(O)cc23)C1=O ZINC001274752729 1091397713 /nfs/dbraw/zinc/39/77/13/1091397713.db2.gz RSAZDRURUYLSCA-IBGZPJMESA-N 0 3 323.396 2.074 20 30 DEEDHN CCCCN1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274793650 1091421421 /nfs/dbraw/zinc/42/14/21/1091421421.db2.gz GLTXTTZNQKCSNI-GOSISDBHSA-N 0 3 312.417 2.178 20 30 DEEDHN C=CCCCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C=CCC=C1C ZINC001274958328 1091492578 /nfs/dbraw/zinc/49/25/78/1091492578.db2.gz BGJIWHMMQRHVPN-FGTMMUONSA-N 0 3 316.445 2.387 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCC(=O)N(C)CC ZINC001275003793 1091511469 /nfs/dbraw/zinc/51/14/69/1091511469.db2.gz DIHIAUHWLMQZOW-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN[C@H]1CN(C(=O)CCC)CC[C@@H]1C(F)(F)F ZINC001279173222 1091512579 /nfs/dbraw/zinc/51/25/79/1091512579.db2.gz NEJKPEKNLVCMMZ-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](OC)C(F)(F)F ZINC001275160524 1091591270 /nfs/dbraw/zinc/59/12/70/1091591270.db2.gz NPBYRQKSICWDMB-NEPJUHHUSA-N 0 3 308.344 2.063 20 30 DEEDHN Cc1ccc(CC(=O)N[C@@H](C)CNCC#Cc2ccccc2)cn1 ZINC001275445541 1091755047 /nfs/dbraw/zinc/75/50/47/1091755047.db2.gz JSHXBOQDCOYUHJ-KRWDZBQOSA-N 0 3 321.424 2.079 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(C[C@@H](C)C(F)(F)F)C2)OCC1=O ZINC001273446182 1091768316 /nfs/dbraw/zinc/76/83/16/1091768316.db2.gz OBCIMDVELZLYQY-OCCSQVGLSA-N 0 3 320.355 2.064 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001492987019 1091872742 /nfs/dbraw/zinc/87/27/42/1091872742.db2.gz PCVGXFJKARDSJB-CQSZACIVSA-N 0 3 306.381 2.316 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001275607195 1091904706 /nfs/dbraw/zinc/90/47/06/1091904706.db2.gz MYIOXGLJFKRSJC-BBRMVZONSA-N 0 3 306.406 2.005 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000948775364 1091929758 /nfs/dbraw/zinc/92/97/58/1091929758.db2.gz GUCSZGKOPRTELT-QGZVFWFLSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000948789536 1091936273 /nfs/dbraw/zinc/93/62/73/1091936273.db2.gz NQRPRMZMFCQBDG-OKZBNKHCSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000948789532 1091936535 /nfs/dbraw/zinc/93/65/35/1091936535.db2.gz NQRPRMZMFCQBDG-FGTMMUONSA-N 0 3 311.429 2.131 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccc(C)cc1C ZINC001273584514 1091936832 /nfs/dbraw/zinc/93/68/32/1091936832.db2.gz ROTFPDHXBRBCCY-UHFFFAOYSA-N 0 3 316.445 2.347 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)c1ccn[nH]1 ZINC000948890786 1091986045 /nfs/dbraw/zinc/98/60/45/1091986045.db2.gz SEKPUAGAEHHDCA-QGZVFWFLSA-N 0 3 310.401 2.315 20 30 DEEDHN C=CCN1C[C@]2(CCN(C[C@@H](C)CC(F)(F)F)C2)OCC1=O ZINC001273748386 1092028073 /nfs/dbraw/zinc/02/80/73/1092028073.db2.gz ZCAZFBBFNAHPNH-GXTWGEPZSA-N 0 3 320.355 2.064 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001275720480 1092039014 /nfs/dbraw/zinc/03/90/14/1092039014.db2.gz GWNUKHJBGNWPCS-YOEHRIQHSA-N 0 3 302.418 2.229 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)Cc1ccc(C)o1)CCO2 ZINC000949075690 1092044503 /nfs/dbraw/zinc/04/45/03/1092044503.db2.gz GTNPOCBYPFPGMM-UHFFFAOYSA-N 0 3 318.417 2.010 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ncc(C)cc1C)CC2 ZINC001273784255 1092047553 /nfs/dbraw/zinc/04/75/53/1092047553.db2.gz JKUQPKDFVZUTJX-INIZCTEOSA-N 0 3 311.429 2.050 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc(C#C)c1 ZINC001273792293 1092050685 /nfs/dbraw/zinc/05/06/85/1092050685.db2.gz NXEYJJDGSBTTPT-FQEVSTJZSA-N 0 3 306.409 2.258 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@@H]1C[C@H]1C1CC1)CCO2 ZINC000949147008 1092056417 /nfs/dbraw/zinc/05/64/17/1092056417.db2.gz AAXFALIFKZRMFV-IRXDYDNUSA-N 0 3 318.461 2.302 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC(C)C)OC)C2 ZINC001273840904 1092301831 /nfs/dbraw/zinc/30/18/31/1092301831.db2.gz PAVYPGKXPOTOER-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C/CNCc1ccc(F)c(Cl)c1 ZINC001273912248 1092504940 /nfs/dbraw/zinc/50/49/40/1092504940.db2.gz XDYBREUMXRVWNI-KXMPLOMGSA-N 0 3 309.772 2.401 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001488594686 1092634299 /nfs/dbraw/zinc/63/42/99/1092634299.db2.gz PMYJNHGYOPDEKO-VMBOVVBDSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001488638743 1092651578 /nfs/dbraw/zinc/65/15/78/1092651578.db2.gz WEGGEQHTDDQYQY-CYBMUJFWSA-N 0 3 309.360 2.472 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)c1ccco1 ZINC001488700897 1092721724 /nfs/dbraw/zinc/72/17/24/1092721724.db2.gz HBMGJCKSMHRVTA-CALCHBBNSA-N 0 3 308.381 2.429 20 30 DEEDHN CC(C)(F)C(=O)NCC1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001489375611 1093036906 /nfs/dbraw/zinc/03/69/06/1093036906.db2.gz OLHYJXIZKSTEDV-UHFFFAOYSA-N 0 3 320.383 2.410 20 30 DEEDHN CC#CCN(C)CCCNC(=O)COc1ccccc1CC ZINC001490276803 1093273595 /nfs/dbraw/zinc/27/35/95/1093273595.db2.gz ZYUJXJQMWZJYBH-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H](OC)C1CCCCC1)C1CC1 ZINC001490395616 1093344627 /nfs/dbraw/zinc/34/46/27/1093344627.db2.gz ISBAZMSSCRFZAW-QGZVFWFLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2cnccc2C)CC1 ZINC001490403276 1093349059 /nfs/dbraw/zinc/34/90/59/1093349059.db2.gz FEDJWFKJASIEQL-UHFFFAOYSA-N 0 3 317.433 2.129 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC001490456712 1093394056 /nfs/dbraw/zinc/39/40/56/1093394056.db2.gz SFBMTZWPTSQVMM-SFHVURJKSA-N 0 3 316.445 2.402 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(C[C@H](O)C2CCCCC2)C1 ZINC001490538737 1093402324 /nfs/dbraw/zinc/40/23/24/1093402324.db2.gz BEUWKMKYCQLIAD-SJORKVTESA-N 0 3 320.477 2.168 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001490643696 1093441440 /nfs/dbraw/zinc/44/14/40/1093441440.db2.gz VLEGZHKJMVUQIB-YOEHRIQHSA-N 0 3 316.470 2.274 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H](NCc1ccc(F)cc1F)C1CC1 ZINC001490662711 1093472421 /nfs/dbraw/zinc/47/24/21/1093472421.db2.gz WIAJIOPNDFKAAP-KRWDZBQOSA-N 0 3 318.367 2.363 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(CCC(=O)c1ccccc1)CC2 ZINC001274006491 1093759443 /nfs/dbraw/zinc/75/94/43/1093759443.db2.gz ANLAXOUOFGRWCN-KRWDZBQOSA-N 0 3 324.424 2.111 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001274027379 1093773331 /nfs/dbraw/zinc/77/33/31/1093773331.db2.gz GJUYSFMWZIQEPR-AWEZNQCLSA-N 0 3 312.413 2.067 20 30 DEEDHN N#CCCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001274044166 1093780783 /nfs/dbraw/zinc/78/07/83/1093780783.db2.gz ZAYJLBDFHMXYCK-KRWDZBQOSA-N 0 3 302.422 2.441 20 30 DEEDHN N#CCCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001274044167 1093781076 /nfs/dbraw/zinc/78/10/76/1093781076.db2.gz ZAYJLBDFHMXYCK-QGZVFWFLSA-N 0 3 302.422 2.441 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc3c2CCO3)C1=O ZINC001274116088 1093806994 /nfs/dbraw/zinc/80/69/94/1093806994.db2.gz HCLCDOVTSGNXCN-IBGZPJMESA-N 0 3 312.413 2.374 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cnc(C)o3)CC2)C1=O ZINC001274160165 1093828428 /nfs/dbraw/zinc/82/84/28/1093828428.db2.gz UERVFYQAUBUMJC-QGZVFWFLSA-N 0 3 303.406 2.374 20 30 DEEDHN Cc1ncc(CN[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C)s1 ZINC001274199749 1093849843 /nfs/dbraw/zinc/84/98/43/1093849843.db2.gz VPIGTYQTYLCHSE-SWLSCSKDSA-N 0 3 319.474 2.438 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](CF)C1 ZINC001351862695 1151623463 /nfs/dbraw/zinc/62/34/63/1151623463.db2.gz WPNOXZDEMLAXJW-ZIAGYGMSSA-N 0 3 307.417 2.069 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001329591797 1148931610 /nfs/dbraw/zinc/93/16/10/1148931610.db2.gz GBVLKMQKCTWGDG-KBPBESRZSA-N 0 3 305.422 2.495 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001329591798 1148932089 /nfs/dbraw/zinc/93/20/89/1148932089.db2.gz GBVLKMQKCTWGDG-KGLIPLIRSA-N 0 3 305.422 2.495 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)Cn1cccn1 ZINC001691717214 1138211339 /nfs/dbraw/zinc/21/13/39/1138211339.db2.gz GVSKKPZJKXAQQF-HIFRSBDPSA-N 0 3 324.856 2.242 20 30 DEEDHN COc1ccc2c(c1)[nH]nc2CN1CCC2SC(=O)C=C2C1 ZINC001237387924 1138601511 /nfs/dbraw/zinc/60/15/11/1138601511.db2.gz LNQNAVBVTYJTKD-OAHLLOKOSA-N 0 3 315.398 2.346 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](CO)N[C@@H]1CCc2ccc(F)cc21 ZINC001278139828 1138776767 /nfs/dbraw/zinc/77/67/67/1138776767.db2.gz WEAGAMNIDRCTTM-DOTOQJQBSA-N 0 3 320.408 2.236 20 30 DEEDHN N#CCC1CCN(Cc2cccc(N3CCOCC3)n2)CC1 ZINC001237847691 1138804558 /nfs/dbraw/zinc/80/45/58/1138804558.db2.gz OEVDVLVYZHWIEY-UHFFFAOYSA-N 0 3 300.406 2.044 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cncnc1C)C2 ZINC001238163540 1138829594 /nfs/dbraw/zinc/82/95/94/1138829594.db2.gz GEINDURMDBDOAF-MSOLQXFVSA-N 0 3 317.433 2.359 20 30 DEEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1C#N ZINC001238404998 1138844218 /nfs/dbraw/zinc/84/42/18/1138844218.db2.gz AQVGUYMMATYBEH-OAHLLOKOSA-N 0 3 300.383 2.341 20 30 DEEDHN CCc1ccc(CN2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)o1 ZINC001278254655 1138860437 /nfs/dbraw/zinc/86/04/37/1138860437.db2.gz CUOCQNLVIBVMBK-RDTXWAMCSA-N 0 3 313.401 2.036 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NCc2nccn2C)C1 ZINC001316655157 1139093286 /nfs/dbraw/zinc/09/32/86/1139093286.db2.gz SXSHTAYOJFGGJT-LSDHHAIUSA-N 0 3 304.438 2.151 20 30 DEEDHN COc1cc(C#N)nc(-c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC001240389742 1139354736 /nfs/dbraw/zinc/35/47/36/1139354736.db2.gz JWSWKHSRTNQXGI-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001295885740 1139624952 /nfs/dbraw/zinc/62/49/52/1139624952.db2.gz GHGOKQBKYMGMMI-ZBFHGGJFSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(C(=O)C(C)(C)N(C)CC)C1CC1 ZINC001296609433 1139809630 /nfs/dbraw/zinc/80/96/30/1139809630.db2.gz RJVFTSDEMAUHFE-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001297919874 1139898969 /nfs/dbraw/zinc/89/89/69/1139898969.db2.gz BBVZUFSHSNNYAO-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN CCCOCC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001278354407 1140045722 /nfs/dbraw/zinc/04/57/22/1140045722.db2.gz BQLFRYRBJPTGKE-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C#CC(C)(C)C)C2)CC1 ZINC001316667831 1140247556 /nfs/dbraw/zinc/24/75/56/1140247556.db2.gz AFCQBUOORMEHCB-MRXNPFEDSA-N 0 3 300.446 2.372 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](C)CCOc1ccccc1 ZINC001491700298 1140261281 /nfs/dbraw/zinc/26/12/81/1140261281.db2.gz XLVFXKMEZRHRPP-HOTGVXAUSA-N 0 3 302.418 2.209 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCOCC)C2)CC1 ZINC001316668095 1140282793 /nfs/dbraw/zinc/28/27/93/1140282793.db2.gz CDQCONNGWUGANZ-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC001491755692 1140298226 /nfs/dbraw/zinc/29/82/26/1140298226.db2.gz FSBDVNKCKMICAH-LBPRGKRZSA-N 0 3 305.447 2.268 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(OC)c(F)c2)C1 ZINC001318413910 1140321416 /nfs/dbraw/zinc/32/14/16/1140321416.db2.gz AXHRDEATEVMPMC-OAHLLOKOSA-N 0 3 320.408 2.486 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001318443325 1140329464 /nfs/dbraw/zinc/32/94/64/1140329464.db2.gz VVUZDKANEDIMRN-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@H](C)C(C)(F)F)C1 ZINC001318484116 1140347049 /nfs/dbraw/zinc/34/70/49/1140347049.db2.gz VBZAAJMJXANCOO-KBPBESRZSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2cncn2C)CCC1 ZINC001318570090 1140366284 /nfs/dbraw/zinc/36/62/84/1140366284.db2.gz KMAIGTPFKSTXRE-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)NCc1scnc1C ZINC001318575264 1140366597 /nfs/dbraw/zinc/36/65/97/1140366597.db2.gz IGHXVLVPMHYHHB-MJBXVCDLSA-N 0 3 323.462 2.027 20 30 DEEDHN Cc1nocc1C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001278399347 1140539499 /nfs/dbraw/zinc/53/94/99/1140539499.db2.gz XDDGKCYZXHTBKS-WMLDXEAASA-N 0 3 323.396 2.227 20 30 DEEDHN COCCC(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001319412991 1140566435 /nfs/dbraw/zinc/56/64/35/1140566435.db2.gz VMKSQIGWEMSRPI-AWEZNQCLSA-N 0 3 322.836 2.165 20 30 DEEDHN Cc1cncc(CNC[C@@H](C)N(C)C(=O)C#CC(C)(C)C)c1 ZINC001319453388 1140580879 /nfs/dbraw/zinc/58/08/79/1140580879.db2.gz HMCVHYPCLMCAOK-OAHLLOKOSA-N 0 3 301.434 2.376 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C#CC1CC1 ZINC001319456069 1140581925 /nfs/dbraw/zinc/58/19/25/1140581925.db2.gz WPFPWJLTBGZSEK-ZDUSSCGKSA-N 0 3 313.376 2.047 20 30 DEEDHN CC(C)C[C@H](CNCc1cncn1C)NC(=O)C#CC(C)(C)C ZINC001319609836 1140624460 /nfs/dbraw/zinc/62/44/60/1140624460.db2.gz OUYZEORJZKYTFL-OAHLLOKOSA-N 0 3 318.465 2.090 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](CN[C@H](C)C(=O)NC)C1CCCCC1 ZINC001319652522 1140642795 /nfs/dbraw/zinc/64/27/95/1140642795.db2.gz YVHAVCZELSRSMV-GDBMZVCRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnns2)[C@@H](C)C1 ZINC001319679862 1140655830 /nfs/dbraw/zinc/65/58/30/1140655830.db2.gz BGSWZANLLUNGGL-JSGCOSHPSA-N 0 3 322.478 2.467 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccnn1C ZINC001319846813 1140763828 /nfs/dbraw/zinc/76/38/28/1140763828.db2.gz FUAKYJPJLYQFNU-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCO[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC001320064616 1140817873 /nfs/dbraw/zinc/81/78/73/1140817873.db2.gz ZBHCKXZXIBZUST-IAGOWNOFSA-N 0 3 317.433 2.276 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1cnns1 ZINC001320150438 1140830157 /nfs/dbraw/zinc/83/01/57/1140830157.db2.gz BTIYSCKFTNNJOO-OCCSQVGLSA-N 0 3 308.451 2.269 20 30 DEEDHN C=CCO[C@@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC001320321968 1140849620 /nfs/dbraw/zinc/84/96/20/1140849620.db2.gz QGVRIMCZQGNOQW-OAHLLOKOSA-N 0 3 302.374 2.223 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1cc2n(n1)CCC2 ZINC001320518706 1140874616 /nfs/dbraw/zinc/87/46/16/1140874616.db2.gz VBMXBHOLAVJIQP-AWEZNQCLSA-N 0 3 318.465 2.416 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2snnc2C)C1 ZINC001320541326 1140877356 /nfs/dbraw/zinc/87/73/56/1140877356.db2.gz PQWQMZFRFNRELR-LLVKDONJSA-N 0 3 308.451 2.187 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2ccc(OC)cc2)C1 ZINC001278438884 1140878458 /nfs/dbraw/zinc/87/84/58/1140878458.db2.gz YDSGKPCRNNPYLV-GOSISDBHSA-N 0 3 318.417 2.092 20 30 DEEDHN C=C[C@@H](COC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC001320592333 1140883635 /nfs/dbraw/zinc/88/36/35/1140883635.db2.gz PKATYUOZERPWOV-NSHDSACASA-N 0 3 316.195 2.454 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C(C)(C)COC ZINC001320791802 1140923210 /nfs/dbraw/zinc/92/32/10/1140923210.db2.gz VBXZXAHXBYGBAN-UHFFFAOYSA-N 0 3 317.433 2.169 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNCc1ccsc1 ZINC001320845716 1140949900 /nfs/dbraw/zinc/94/99/00/1140949900.db2.gz LDAXROOPLVPCLP-CABCVRRESA-N 0 3 308.447 2.277 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001321392681 1141225404 /nfs/dbraw/zinc/22/54/04/1141225404.db2.gz QHSALFJPAVVZLT-IHWYPQMZSA-N 0 3 308.385 2.271 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)/C=C\c1ccc[nH]1 ZINC001321501648 1141293496 /nfs/dbraw/zinc/29/34/96/1141293496.db2.gz SEOUEISQMDMTLD-DJFZKKHWSA-N 0 3 314.414 2.256 20 30 DEEDHN CC(C)(C)c1ccc(-c2noc([C@@]34CN[C@@H](CO3)C4)n2)c(C#N)c1 ZINC001247947688 1141640494 /nfs/dbraw/zinc/64/04/94/1141640494.db2.gz IKNDVFTUFGTEGA-FZKQIMNGSA-N 0 3 324.384 2.493 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cn(CCC)nc1C ZINC001322755761 1141706429 /nfs/dbraw/zinc/70/64/29/1141706429.db2.gz ISBPRGAISHJRIS-UHFFFAOYSA-N 0 3 312.845 2.406 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1csc(CC)n1 ZINC001322843613 1141739516 /nfs/dbraw/zinc/73/95/16/1141739516.db2.gz DFYFROBHDLXTJJ-UHFFFAOYSA-N 0 3 315.870 2.439 20 30 DEEDHN C=CCCC(=O)N[C@H](CNCc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC001322971692 1141786192 /nfs/dbraw/zinc/78/61/92/1141786192.db2.gz XDPFCAYRMMUKMN-CYBMUJFWSA-N 0 3 319.453 2.053 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001323224794 1141829342 /nfs/dbraw/zinc/82/93/42/1141829342.db2.gz DXYNRPYJVIUAPJ-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN N#Cc1ccc(F)c(-c2noc([C@H]3CNCCC3(F)F)n2)c1 ZINC001248904251 1141832948 /nfs/dbraw/zinc/83/29/48/1141832948.db2.gz XBDLKLYRUQRNSX-SNVBAGLBSA-N 0 3 308.263 2.460 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001323307759 1141840436 /nfs/dbraw/zinc/84/04/36/1141840436.db2.gz GLXHCQQAYPFNFQ-NVXWUHKLSA-N 0 3 318.392 2.286 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cc(F)cc(OC)c3)no2)CCCN1 ZINC001249352054 1141877320 /nfs/dbraw/zinc/87/73/20/1141877320.db2.gz UDMWYRYQWXGLMC-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN C=CCCC[N@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001278520992 1141949770 /nfs/dbraw/zinc/94/97/70/1141949770.db2.gz LEABZFGCLSUKRP-KGLIPLIRSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001278520992 1141949782 /nfs/dbraw/zinc/94/97/82/1141949782.db2.gz LEABZFGCLSUKRP-KGLIPLIRSA-N 0 3 318.421 2.040 20 30 DEEDHN CCCCCCCNC(=S)N1CCO[C@@H](CN(C)C)C1 ZINC001249630549 1141978473 /nfs/dbraw/zinc/97/84/73/1141978473.db2.gz DTZRSBGRLFXWCZ-AWEZNQCLSA-N 0 3 301.500 2.094 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)COc2cccc(OC)c2)CC1 ZINC001324335342 1142058530 /nfs/dbraw/zinc/05/85/30/1142058530.db2.gz QEPQWEUZXGZMLT-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)CC(C)(C)C=C)C2)CC1 ZINC001324354024 1142061059 /nfs/dbraw/zinc/06/10/59/1142061059.db2.gz PQJWAVQXIWOZLT-MRXNPFEDSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN(C(=O)c1c[nH]nc1C)C1CCN(CC=C(C)C)CC1 ZINC001324407865 1142072234 /nfs/dbraw/zinc/07/22/34/1142072234.db2.gz OTPZEEBJFPTFRY-UHFFFAOYSA-N 0 3 314.433 2.224 20 30 DEEDHN CC(C)COCCN1CC[C@](C)(NC(=O)C#CC(C)(C)C)C1 ZINC001324614253 1142148444 /nfs/dbraw/zinc/14/84/44/1142148444.db2.gz GMSOYDHQKTZLQZ-SFHVURJKSA-N 0 3 308.466 2.289 20 30 DEEDHN CC1(CNC(=O)CSCC#N)CCN(C/C=C/Cl)CC1 ZINC001278593197 1142285123 /nfs/dbraw/zinc/28/51/23/1142285123.db2.gz DDUFTAMHOCPSFT-GORDUTHDSA-N 0 3 315.870 2.214 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC001336451648 1142472765 /nfs/dbraw/zinc/47/27/65/1142472765.db2.gz YUFVHWBXGOMXGG-CQSZACIVSA-N 0 3 315.417 2.259 20 30 DEEDHN C#CCOC[C@@H](O)CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC001251855301 1142522876 /nfs/dbraw/zinc/52/28/76/1142522876.db2.gz VOFZTTWPNYBZHA-HNNXBMFYSA-N 0 3 313.319 2.074 20 30 DEEDHN C#CCOC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC001251893448 1142534958 /nfs/dbraw/zinc/53/49/58/1142534958.db2.gz DXPPOBVWVOXHHQ-MOPGFXCFSA-N 0 3 311.381 2.082 20 30 DEEDHN C#CCOC[C@@H](O)CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001251894260 1142535741 /nfs/dbraw/zinc/53/57/41/1142535741.db2.gz RGNUPIXOGSIWIL-AWEZNQCLSA-N 0 3 313.319 2.295 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001278668742 1142733168 /nfs/dbraw/zinc/73/31/68/1142733168.db2.gz QLELLKDOFCLUIR-SFHVURJKSA-N 0 3 301.434 2.487 20 30 DEEDHN C=C[C@@](C)(O)CN[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001252586347 1142772151 /nfs/dbraw/zinc/77/21/51/1142772151.db2.gz ZFCLEDKWMBHEEM-PKOBYXMFSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](CC(=O)OC)c1cccc(OC)c1 ZINC001252622059 1142793369 /nfs/dbraw/zinc/79/33/69/1142793369.db2.gz NNTIORZPAOIQSF-GOEBONIOSA-N 0 3 307.390 2.216 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001252675513 1142806609 /nfs/dbraw/zinc/80/66/09/1142806609.db2.gz IORJGDFMANFSTC-IAGOWNOFSA-N 0 3 318.417 2.187 20 30 DEEDHN CN1CCN(CCNc2cc(C#N)cc(Cl)n2)CC1(C)C ZINC001337975694 1142815685 /nfs/dbraw/zinc/81/56/85/1142815685.db2.gz YVSPSVHDYDDYKL-UHFFFAOYSA-N 0 3 307.829 2.045 20 30 DEEDHN Cc1cnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001252921230 1142830973 /nfs/dbraw/zinc/83/09/73/1142830973.db2.gz PLYIXCQYAXUASS-LJQANCHMSA-N 0 3 322.412 2.311 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN1CCCO[C@@H](C(=O)OC)C1 ZINC001253241779 1142856807 /nfs/dbraw/zinc/85/68/07/1142856807.db2.gz DCUIZIOQABMSFA-HZPDHXFCSA-N 0 3 313.438 2.138 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2C(=O)OC)CC1 ZINC001338838183 1142884013 /nfs/dbraw/zinc/88/40/13/1142884013.db2.gz ZFTVEWJDMXSTPZ-UHFFFAOYSA-N 0 3 316.401 2.244 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1nc2c(cccc2F)n1C ZINC001340089292 1143264740 /nfs/dbraw/zinc/26/47/40/1143264740.db2.gz CLBOFCGFSRTTKW-CYBMUJFWSA-N 0 3 318.396 2.055 20 30 DEEDHN COc1cnc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)nc1 ZINC001254675020 1143310106 /nfs/dbraw/zinc/31/01/06/1143310106.db2.gz DBZYETSLKDBCOV-OLZOCXBDSA-N 0 3 302.378 2.021 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC001340284010 1143316285 /nfs/dbraw/zinc/31/62/85/1143316285.db2.gz PYGRPYXXHLVOSE-VDZJLULYSA-N 0 3 318.461 2.416 20 30 DEEDHN CC[C@@H](CC#N)NC1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255055459 1143395306 /nfs/dbraw/zinc/39/53/06/1143395306.db2.gz PHTXVFGMKAXHEM-AVOUXACISA-N 0 3 323.437 2.435 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001340789735 1143441943 /nfs/dbraw/zinc/44/19/43/1143441943.db2.gz ZNEOCPDPTQUNBN-IRXDYDNUSA-N 0 3 318.417 2.279 20 30 DEEDHN CC[C@H](CC#N)NC[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255152040 1143447303 /nfs/dbraw/zinc/44/73/03/1143447303.db2.gz LTJKHVQNNUGGMP-ZIAGYGMSSA-N 0 3 323.437 2.294 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC001340998309 1143520407 /nfs/dbraw/zinc/52/04/07/1143520407.db2.gz AZQIMBZRAIBEIL-ZDUSSCGKSA-N 0 3 321.387 2.061 20 30 DEEDHN C#CCOCCN(C)C[C@H](O)c1ccccc1C(F)(F)F ZINC001341257401 1143572728 /nfs/dbraw/zinc/57/27/28/1143572728.db2.gz WCIWOVIQQDLVOV-AWEZNQCLSA-N 0 3 301.308 2.320 20 30 DEEDHN CCOc1ccc(CCN(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC001341499493 1143615981 /nfs/dbraw/zinc/61/59/81/1143615981.db2.gz IUIJUEFIYPLJFD-KRWDZBQOSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC1(C(=O)NCCC)CCCCC1 ZINC001341524185 1143621676 /nfs/dbraw/zinc/62/16/76/1143621676.db2.gz HECSOUNIYGATTP-AWEZNQCLSA-N 0 3 309.454 2.015 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1Cn1ccnc1 ZINC001341541398 1143625144 /nfs/dbraw/zinc/62/51/44/1143625144.db2.gz ZGMIKCFTKYOYKA-KRWDZBQOSA-N 0 3 312.417 2.231 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1N1CCC(O)CC1 ZINC001341673090 1143658603 /nfs/dbraw/zinc/65/86/03/1143658603.db2.gz WGQDACXUEMJEEH-OAHLLOKOSA-N 0 3 317.433 2.270 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCC2(CC1)CNCCO2)c1ccccc1 ZINC001341949797 1143749455 /nfs/dbraw/zinc/74/94/55/1143749455.db2.gz FQXHZCVVWVOQLH-INIZCTEOSA-N 0 3 314.429 2.327 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(F)ccc1Cl ZINC001278873730 1143772845 /nfs/dbraw/zinc/77/28/45/1143772845.db2.gz NVGYRMKDHYISPG-GFCCVEGCSA-N 0 3 314.788 2.030 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc(F)ccc1Cl ZINC001278873731 1143773662 /nfs/dbraw/zinc/77/36/62/1143773662.db2.gz NVGYRMKDHYISPG-LBPRGKRZSA-N 0 3 314.788 2.030 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2OCc3ccccc32)CC1 ZINC001342113088 1143791241 /nfs/dbraw/zinc/79/12/41/1143791241.db2.gz ZKKSWYPRKIVJQY-QGZVFWFLSA-N 0 3 315.417 2.208 20 30 DEEDHN C=CCn1c(-c2cocn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001342118975 1143793055 /nfs/dbraw/zinc/79/30/55/1143793055.db2.gz HDWIULSXTFJBTA-STQMWFEESA-N 0 3 316.409 2.038 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001342261555 1143807455 /nfs/dbraw/zinc/80/74/55/1143807455.db2.gz HGRASNKEPMHOIB-LXTVHRRPSA-N 0 3 314.437 2.010 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001342301546 1143810261 /nfs/dbraw/zinc/81/02/61/1143810261.db2.gz OBJPVRHTEVVELI-CVEARBPZSA-N 0 3 306.381 2.489 20 30 DEEDHN CCOC(=O)N1CC[C@@H](NC(=N)c2ccc3ccccc3n2)C1 ZINC001256020264 1143821884 /nfs/dbraw/zinc/82/18/84/1143821884.db2.gz MKPIEPAMUGDNBB-CYBMUJFWSA-N 0 3 312.373 2.171 20 30 DEEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC001342732558 1143833302 /nfs/dbraw/zinc/83/33/02/1143833302.db2.gz KYZGTJFJHBJBLZ-OCCSQVGLSA-N 0 3 312.435 2.300 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@]1(CO)c1ccccc1 ZINC001342813542 1143837713 /nfs/dbraw/zinc/83/77/13/1143837713.db2.gz LEEDLMWVQDWPLH-FUHWJXTLSA-N 0 3 302.418 2.180 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C)C2)n1CC(C)C ZINC001342889607 1143841886 /nfs/dbraw/zinc/84/18/86/1143841886.db2.gz JEMITWIYLRPLJR-LSDHHAIUSA-N 0 3 303.454 2.201 20 30 DEEDHN C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001278954118 1143860084 /nfs/dbraw/zinc/86/00/84/1143860084.db2.gz SZFCILFBYFESCP-YTIHELSHSA-N 0 3 316.445 2.128 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN([C@@H](C)Cc2ccncc2)C1 ZINC001256752605 1143866176 /nfs/dbraw/zinc/86/61/76/1143866176.db2.gz MBLLBESZHIDPEC-HOCLYGCPSA-N 0 3 303.406 2.389 20 30 DEEDHN CC(C)C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804100 1143867686 /nfs/dbraw/zinc/86/76/86/1143867686.db2.gz LXBKTJFWNXTATB-OWCLPIDISA-N 0 3 306.406 2.416 20 30 DEEDHN CCOC(=O)C1(NC2CCC(C#N)CC2)CCN(CC)CC1 ZINC001256959451 1143876724 /nfs/dbraw/zinc/87/67/24/1143876724.db2.gz FJEUUMGVHMVRBE-UHFFFAOYSA-N 0 3 307.438 2.076 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H]2CC[C@@H](C(=O)OCC)C2)C1 ZINC001257066823 1143884530 /nfs/dbraw/zinc/88/45/30/1143884530.db2.gz DAEZHHQQQGZRMV-KFWWJZLASA-N 0 3 324.421 2.095 20 30 DEEDHN C=CCCCCN(C)[C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257942217 1143961169 /nfs/dbraw/zinc/96/11/69/1143961169.db2.gz RKCZFTLCGKTVNI-AWEZNQCLSA-N 0 3 319.467 2.031 20 30 DEEDHN C=CCC[C@H](C)n1nc(C(=O)NC2CCC2)c2c1CCNC2 ZINC001258727639 1144035684 /nfs/dbraw/zinc/03/56/84/1144035684.db2.gz HEQJZUUEVJYRJT-LBPRGKRZSA-N 0 3 302.422 2.338 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1OC ZINC001262653082 1144324913 /nfs/dbraw/zinc/32/49/13/1144324913.db2.gz YVRWVUGSGSGVSA-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC001263075127 1144353734 /nfs/dbraw/zinc/35/37/34/1144353734.db2.gz GFHCEDZGZXSCOP-SMDDNHRTSA-N 0 3 301.390 2.042 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCc3cc(O)ccc3C2)CC1 ZINC001263085066 1144354291 /nfs/dbraw/zinc/35/42/91/1144354291.db2.gz NYYUMYHFDKHGSO-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC001263097439 1144355403 /nfs/dbraw/zinc/35/54/03/1144355403.db2.gz WSHKQFTWZYHZEA-WMLDXEAASA-N 0 3 319.424 2.452 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCn2nc(C)nc2C1 ZINC001263101492 1144355516 /nfs/dbraw/zinc/35/55/16/1144355516.db2.gz TYCMKWOSIMRXAM-CQSZACIVSA-N 0 3 307.442 2.007 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C)C2)n1CC(=C)C ZINC001263344159 1144371062 /nfs/dbraw/zinc/37/10/62/1144371062.db2.gz WUDXJJCKVLZHTM-GJZGRUSLSA-N 0 3 301.438 2.121 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC=CCC1 ZINC001263343582 1144371218 /nfs/dbraw/zinc/37/12/18/1144371218.db2.gz COAWRWXVOHCINM-HNNXBMFYSA-N 0 3 301.438 2.430 20 30 DEEDHN Cc1cc2nc(C)cc(C(=O)C(C#N)c3cccc(F)n3)n2n1 ZINC001263377986 1144373567 /nfs/dbraw/zinc/37/35/67/1144373567.db2.gz RVFAADBCZFOFQG-LLVKDONJSA-N 0 3 309.304 2.370 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCCCOC)cc1 ZINC001263804732 1144395808 /nfs/dbraw/zinc/39/58/08/1144395808.db2.gz GHDLFBWJPJLHAM-SFHVURJKSA-N 0 3 314.429 2.241 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](OCC)C3CC3)C2)CC1 ZINC001263936676 1144426938 /nfs/dbraw/zinc/42/69/38/1144426938.db2.gz JNNRZLYWNVSWBD-DOTOQJQBSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)COC(C)C)C(C)(C)[C@H]21 ZINC001264029540 1144443980 /nfs/dbraw/zinc/44/39/80/1144443980.db2.gz FQXKWZWUCMPLEM-OIISXLGYSA-N 0 3 306.450 2.040 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001264140707 1144483262 /nfs/dbraw/zinc/48/32/62/1144483262.db2.gz QFGAWQIDJOLMHN-NUJGCVRESA-N 0 3 314.429 2.112 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)CCCOC)CC(C)(C)C1 ZINC001264196689 1144505450 /nfs/dbraw/zinc/50/54/50/1144505450.db2.gz JLNURDKIUVLUSA-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NC)CC(C)(C)C1 ZINC001264195151 1144505983 /nfs/dbraw/zinc/50/59/83/1144505983.db2.gz NFJOHUYEEXQNPJ-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#Cc1cncc(C(=O)N(CCc2ccccc2)CCN(C)C)c1 ZINC001264532784 1144561669 /nfs/dbraw/zinc/56/16/69/1144561669.db2.gz DZDCTSSUGCRVEN-UHFFFAOYSA-N 0 3 321.424 2.309 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)N(C)C ZINC001264559960 1144566691 /nfs/dbraw/zinc/56/66/91/1144566691.db2.gz YTDQEELDNDRPDK-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCO)CC[C@@H]1c1ccccc1 ZINC001264591403 1144573358 /nfs/dbraw/zinc/57/33/58/1144573358.db2.gz XTASJZOOSLEWLZ-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001265079982 1144639058 /nfs/dbraw/zinc/63/90/58/1144639058.db2.gz MZOKSKJESPZJIB-ZBFHGGJFSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H](c1cccnc1)C(C)C)C1CC1 ZINC001265180745 1144661664 /nfs/dbraw/zinc/66/16/64/1144661664.db2.gz ZXEJMXKEDLNFAJ-SFHVURJKSA-N 0 3 313.445 2.425 20 30 DEEDHN CC#CCN(CCCNC(=O)COc1ccccc1C)C1CC1 ZINC001265182868 1144662612 /nfs/dbraw/zinc/66/26/12/1144662612.db2.gz SWMRFDJNZKDJGU-UHFFFAOYSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C#CC(C)(C)C)CC1 ZINC001265192164 1144664253 /nfs/dbraw/zinc/66/42/53/1144664253.db2.gz RGYXLGUQAPWDNZ-UHFFFAOYSA-N 0 3 306.450 2.161 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCc2nc(C(C)C)no2)CC1 ZINC001265195077 1144664500 /nfs/dbraw/zinc/66/45/00/1144664500.db2.gz UBTQJETZUDNYEN-UHFFFAOYSA-N 0 3 320.437 2.234 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001265213696 1144668205 /nfs/dbraw/zinc/66/82/05/1144668205.db2.gz XBCZCKKMPOVGDY-FUHWJXTLSA-N 0 3 306.450 2.395 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001265215969 1144668719 /nfs/dbraw/zinc/66/87/19/1144668719.db2.gz FQTBRULJXSUXAZ-GFCCVEGCSA-N 0 3 302.340 2.323 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCc2c(C)noc2Cl)C1 ZINC001265235233 1144674577 /nfs/dbraw/zinc/67/45/77/1144674577.db2.gz LEFQYELDUCAJNI-CYBMUJFWSA-N 0 3 323.824 2.173 20 30 DEEDHN CCC/C=C/CCN1CCN(CCNC(=O)C#CC(C)C)CC1 ZINC001265258506 1144676577 /nfs/dbraw/zinc/67/65/77/1144676577.db2.gz KNCCCFRWYXWXRH-VOTSOKGWSA-N 0 3 319.493 2.126 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@H](C)c2ccco2)C1 ZINC001265312295 1144691122 /nfs/dbraw/zinc/69/11/22/1144691122.db2.gz LGARAOHISQJLFL-GJZGRUSLSA-N 0 3 306.406 2.166 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(COC)CCC1 ZINC001265410373 1144702831 /nfs/dbraw/zinc/70/28/31/1144702831.db2.gz TYEUHQCCBIKREA-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001265412031 1144702883 /nfs/dbraw/zinc/70/28/83/1144702883.db2.gz XCDVJAPOTXCIEQ-MWDXBVQZSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cn(C(C)C)nc2C)C1 ZINC001265422150 1144703237 /nfs/dbraw/zinc/70/32/37/1144703237.db2.gz CKAPJHXACLBGEQ-INIZCTEOSA-N 0 3 304.438 2.429 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001265468364 1144705611 /nfs/dbraw/zinc/70/56/11/1144705611.db2.gz AEGISHPZKJULHI-LNGRCMCUSA-N 0 3 301.228 2.488 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@@H]2CN(CC#CC)CC[C@@H]21 ZINC001265523492 1144708799 /nfs/dbraw/zinc/70/87/99/1144708799.db2.gz LQPBVHQSIVDBIN-MSOLQXFVSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCn1cc(Cl)cn1 ZINC001265658107 1144723905 /nfs/dbraw/zinc/72/39/05/1144723905.db2.gz RBGKFBYLCXNGMD-AWEZNQCLSA-N 0 3 310.829 2.083 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCOCC2CC2)C1 ZINC001265703814 1144731651 /nfs/dbraw/zinc/73/16/51/1144731651.db2.gz 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N#Cc1cccc(CN2CCC[C@@H](NC(=O)C#CC3CC3)CC2)c1 ZINC001280732580 1144851594 /nfs/dbraw/zinc/85/15/94/1144851594.db2.gz AWJKAQNNDVWAQJ-LJQANCHMSA-N 0 3 321.424 2.442 20 30 DEEDHN CCC[C@@H](CC)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001280760478 1144853544 /nfs/dbraw/zinc/85/35/44/1144853544.db2.gz QLDGKIORHRRROU-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)COc1c(C)cccc1C ZINC001280881340 1144861176 /nfs/dbraw/zinc/86/11/76/1144861176.db2.gz QZNHVOOLRNBDOV-UHFFFAOYSA-N 0 3 302.418 2.096 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1ccc(F)cc1 ZINC001316610606 1144886320 /nfs/dbraw/zinc/88/63/20/1144886320.db2.gz UORSJLMBRJSUCH-HNNXBMFYSA-N 0 3 306.381 2.313 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001281387260 1144886347 /nfs/dbraw/zinc/88/63/47/1144886347.db2.gz IPCOQNWKOKGEAS-YOEHRIQHSA-N 0 3 323.396 2.085 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC001281955351 1144923731 /nfs/dbraw/zinc/92/37/31/1144923731.db2.gz LSWZLVPSXKCVIL-ZDUSSCGKSA-N 0 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/nfs/dbraw/zinc/18/44/55/1145184455.db2.gz FYWPJNKKJSBQTM-ZSOGYDGISA-N 0 3 310.388 2.129 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnn2c1CCCC2 ZINC001283260515 1145338532 /nfs/dbraw/zinc/33/85/32/1145338532.db2.gz NEHBXAARXHDISE-ZDUSSCGKSA-N 0 3 324.856 2.460 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001283693093 1145590728 /nfs/dbraw/zinc/59/07/28/1145590728.db2.gz UFZJWPPKSLPQQU-MDCZIUGASA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](CO)N[C@@H](C)c1cccc(C)c1 ZINC001283795772 1145649571 /nfs/dbraw/zinc/64/95/71/1145649571.db2.gz HHJMGGIXZSOYTG-WMZOPIPTSA-N 0 3 316.445 2.316 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccn(C)c1 ZINC001283859339 1145671691 /nfs/dbraw/zinc/67/16/91/1145671691.db2.gz DGHGYMZMCIJSLG-QFBILLFUSA-N 0 3 321.424 2.269 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2ncccc2C)C[C@H]1C ZINC001284034583 1145763872 /nfs/dbraw/zinc/76/38/72/1145763872.db2.gz RYWGPXUZXMRYPK-HZPDHXFCSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(CCn2cccn2)[C@H]1C ZINC001284133086 1145805943 /nfs/dbraw/zinc/80/59/43/1145805943.db2.gz UENDCIRIKLZVCK-HOTGVXAUSA-N 0 3 304.438 2.209 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001284331388 1145837810 /nfs/dbraw/zinc/83/78/10/1145837810.db2.gz ITNAWTCBMRQIEC-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC001284725713 1145895875 /nfs/dbraw/zinc/89/58/75/1145895875.db2.gz CTCUAUHOHVAHSP-HOTGVXAUSA-N 0 3 314.429 2.304 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001284868163 1145948690 /nfs/dbraw/zinc/94/86/90/1145948690.db2.gz WPLQEKWHKKHCDT-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)C#CC(=O)NCC1=CCN(CCOCCC(C)C)CC1 ZINC001284909478 1145967958 /nfs/dbraw/zinc/96/79/58/1145967958.db2.gz LIUVPRVTQTWJDR-UHFFFAOYSA-N 0 3 320.477 2.457 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@](C)(OC)c2ccccc2)CC1 ZINC001284977485 1146001438 /nfs/dbraw/zinc/00/14/38/1146001438.db2.gz 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/nfs/dbraw/zinc/01/89/70/198018970.db2.gz UONYYMMCZZHLCZ-UHFFFAOYSA-N 0 3 317.389 2.245 20 30 DEEDHN CC(C)COC(=O)N1CCCN(CCCSCC#N)CC1 ZINC000080627912 192175181 /nfs/dbraw/zinc/17/51/81/192175181.db2.gz DCTIJUAEINFPKV-UHFFFAOYSA-N 0 3 313.467 2.434 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)OCO2)c1nnc2n1CCCCC2 ZINC000072678681 191213700 /nfs/dbraw/zinc/21/37/00/191213700.db2.gz WWIBMLXVLCDDSF-LBPRGKRZSA-N 0 3 324.340 2.223 20 30 DEEDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(=O)N1CCCC1 ZINC000328695579 539909926 /nfs/dbraw/zinc/90/99/26/539909926.db2.gz DCMWLWIBJNDPBS-DZGCQCFKSA-N 0 3 307.438 2.361 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1 ZINC000175279656 198455457 /nfs/dbraw/zinc/45/54/57/198455457.db2.gz WDJXDMFSYNJLBW-UHFFFAOYSA-N 0 3 322.412 2.323 20 30 DEEDHN Cc1cccc(CN2CCC(NC(=O)CSCC#N)CC2)c1 ZINC000048371241 354350386 /nfs/dbraw/zinc/35/03/86/354350386.db2.gz SDCFFFBXCSCLBR-UHFFFAOYSA-N 0 3 317.458 2.332 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000051042852 354378623 /nfs/dbraw/zinc/37/86/23/354378623.db2.gz OHSMRQAVULWLPA-MRXNPFEDSA-N 0 3 315.417 2.175 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCS1 ZINC000075196010 355073030 /nfs/dbraw/zinc/07/30/30/355073030.db2.gz WXRWKAKZIVVYKT-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN CN(C)CCn1cc(NC(=O)Nc2ccc(F)c(C#N)c2)cn1 ZINC000077498984 355209456 /nfs/dbraw/zinc/20/94/56/355209456.db2.gz NWUQGQHESDIJGM-UHFFFAOYSA-N 0 3 316.340 2.099 20 30 DEEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000077373454 355202281 /nfs/dbraw/zinc/20/22/81/355202281.db2.gz UDDBMAWGSZCMDU-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000091478248 355597969 /nfs/dbraw/zinc/59/79/69/355597969.db2.gz YGKZIECWKPIPPF-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN CC(C)(CCC#N)CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000093534188 355683559 /nfs/dbraw/zinc/68/35/59/355683559.db2.gz NLWDJTFEFYEBJM-UHFFFAOYSA-N 0 3 314.433 2.237 20 30 DEEDHN COc1ccc(COC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595608924 358500593 /nfs/dbraw/zinc/50/05/93/358500593.db2.gz CEUGZBXJENMIMR-NVXWUHKLSA-N 0 3 318.417 2.198 20 30 DEEDHN C=CCSCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000194567733 356242069 /nfs/dbraw/zinc/24/20/69/356242069.db2.gz VGNXLPXLQZXTCN-UHFFFAOYSA-N 0 3 307.463 2.337 20 30 DEEDHN Cc1noc([C@@H]2CC[C@H](CNCc3ccc(C#N)s3)O2)n1 ZINC000275298541 356356308 /nfs/dbraw/zinc/35/63/08/356356308.db2.gz MQJFCCLRMAYDPK-MFKMUULPSA-N 0 3 304.375 2.321 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(OC)n[nH]1)C(C)C ZINC000626703816 366277034 /nfs/dbraw/zinc/27/70/34/366277034.db2.gz RFJJGWLYFQAPHO-CYBMUJFWSA-N 0 3 321.425 2.238 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccccc1C#N)[C@@H](C)COC ZINC000595639879 358509931 /nfs/dbraw/zinc/50/99/31/358509931.db2.gz YOJXOOZIKUYKRF-AWEZNQCLSA-N 0 3 301.390 2.410 20 30 DEEDHN C=CCN(CCC(=O)Nc1sccc1C#N)[C@@H](C)COC ZINC000595646892 358511166 /nfs/dbraw/zinc/51/11/66/358511166.db2.gz MBJRUDVPDJUEIF-LBPRGKRZSA-N 0 3 307.419 2.471 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)s2)CN1C1CC1 ZINC000578061611 356754597 /nfs/dbraw/zinc/75/45/97/356754597.db2.gz VWDGXQXEFBAMII-WDEREUQCSA-N 0 3 304.419 2.044 20 30 DEEDHN C[C@@]1(NC(=O)CSCC#N)CCN(Cc2ccccc2)C1 ZINC000578512971 356829201 /nfs/dbraw/zinc/82/92/01/356829201.db2.gz GNALJAYVVLTSKN-MRXNPFEDSA-N 0 3 303.431 2.024 20 30 DEEDHN CC(=O)c1ccc(OC[C@@H](O)CNCC(C)(C)CC#N)cc1 ZINC000579112520 356923405 /nfs/dbraw/zinc/92/34/05/356923405.db2.gz IZVLVELVDOYPKQ-HNNXBMFYSA-N 0 3 304.390 2.158 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000579430604 356971085 /nfs/dbraw/zinc/97/10/85/356971085.db2.gz KYDWRNIABSILGF-MRXNPFEDSA-N 0 3 316.420 2.362 20 30 DEEDHN C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(Cc2ccccc2)C1 ZINC000580958481 357108498 /nfs/dbraw/zinc/10/84/98/357108498.db2.gz YLDYFZXGHDZMBK-SFHVURJKSA-N 0 3 308.385 2.281 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(C#N)ccc3F)[C@@H]2C1 ZINC000581848000 357255060 /nfs/dbraw/zinc/25/50/60/357255060.db2.gz IHYVXAVWPZGXRM-YXJHDRRASA-N 0 3 315.392 2.434 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1cccc(C#N)n1 ZINC000581942385 357272349 /nfs/dbraw/zinc/27/23/49/357272349.db2.gz PDESSCAHAFQWGM-UHFFFAOYSA-N 0 3 313.361 2.142 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)CCCCCC#N)CC1 ZINC000588632106 357412344 /nfs/dbraw/zinc/41/23/44/357412344.db2.gz SFQQCIUUGBRQHX-UHFFFAOYSA-N 0 3 309.454 2.466 20 30 DEEDHN CN1CCN(c2ccncc2NC(=O)CCCCCC#N)CC1 ZINC000588752770 357420305 /nfs/dbraw/zinc/42/03/05/357420305.db2.gz KBGSGKKELVVVNL-UHFFFAOYSA-N 0 3 315.421 2.246 20 30 DEEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1F ZINC000589350186 357466141 /nfs/dbraw/zinc/46/61/41/357466141.db2.gz WSMSGFYYNXEYMO-CQSZACIVSA-N 0 3 302.353 2.303 20 30 DEEDHN N#Cc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521386 357478306 /nfs/dbraw/zinc/47/83/06/357478306.db2.gz XEDOVFGFNCCOFE-IRXDYDNUSA-N 0 3 318.392 2.497 20 30 DEEDHN CCN1C[C@@H](CN(C)CCOCCC#N)Oc2ccccc21 ZINC000590154547 357522493 /nfs/dbraw/zinc/52/24/93/357522493.db2.gz NRDFLZBFDLXYOL-OAHLLOKOSA-N 0 3 303.406 2.136 20 30 DEEDHN CN1CCC[C@H](N2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000590690331 357581172 /nfs/dbraw/zinc/58/11/72/357581172.db2.gz ITAKNDGGOQRRQD-AWEZNQCLSA-N 0 3 318.852 2.428 20 30 DEEDHN CC(C)[C@H](C#N)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000590709361 357588737 /nfs/dbraw/zinc/58/87/37/357588737.db2.gz LXPDAOKLEPRXBX-IBGZPJMESA-N 0 3 314.477 2.284 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000590800485 357614984 /nfs/dbraw/zinc/61/49/84/357614984.db2.gz LZEZWEDFTOCQHY-OAHLLOKOSA-N 0 3 322.412 2.480 20 30 DEEDHN C[C@](CO)(NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000591014012 357661288 /nfs/dbraw/zinc/66/12/88/357661288.db2.gz MXMTWEBNILQSFR-LJQANCHMSA-N 0 3 323.396 2.384 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000591241498 357694539 /nfs/dbraw/zinc/69/45/39/357694539.db2.gz LMYCWEBGEOVDHQ-IRXDYDNUSA-N 0 3 301.434 2.276 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310790 357705160 /nfs/dbraw/zinc/70/51/60/357705160.db2.gz KVCXGUXKVAFLRB-UHFFFAOYSA-N 0 3 321.384 2.263 20 30 DEEDHN COCCN(CCC#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000591317425 357705821 /nfs/dbraw/zinc/70/58/21/357705821.db2.gz RWOIENPNHOGOHL-INIZCTEOSA-N 0 3 303.406 2.068 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2ccccc2n1CC#N ZINC000591525514 357733564 /nfs/dbraw/zinc/73/35/64/357733564.db2.gz RRJWBSLWXHGPCV-OAHLLOKOSA-N 0 3 310.401 2.331 20 30 DEEDHN CN(Cc1ccccc1)C[C@@H](O)CNCc1cccc(C#N)c1 ZINC000591724809 357754402 /nfs/dbraw/zinc/75/44/02/357754402.db2.gz FFDSZAPCJMEHKV-IBGZPJMESA-N 0 3 309.413 2.141 20 30 DEEDHN N#Cc1cccc([N+](=O)[O-])c1N1CCN(c2ccncc2)CC1 ZINC000591817548 357764916 /nfs/dbraw/zinc/76/49/16/357764916.db2.gz WTBACLPROPOPLH-UHFFFAOYSA-N 0 3 309.329 2.188 20 30 DEEDHN Cc1cc(C)n(-c2ccc(CN3CC[C@](O)(CC#N)C3)cc2)n1 ZINC000592149492 357841156 /nfs/dbraw/zinc/84/11/56/357841156.db2.gz PYKMEKRMXIYRPG-GOSISDBHSA-N 0 3 310.401 2.340 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660596995 540310096 /nfs/dbraw/zinc/31/00/96/540310096.db2.gz KTJSKVOIHBOCPY-CABCVRRESA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@](C)(C3CC3)C2)CC1 ZINC000660596904 540310385 /nfs/dbraw/zinc/31/03/85/540310385.db2.gz JNZTXFFQSDSHGD-SFHVURJKSA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@@H]1CC(CCNCc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1 ZINC000592509858 357890390 /nfs/dbraw/zinc/89/03/90/357890390.db2.gz HWISLPZPOMBCAZ-CHWSQXEVSA-N 0 3 313.405 2.284 20 30 DEEDHN CCN(CCSC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592744483 357933877 /nfs/dbraw/zinc/93/38/77/357933877.db2.gz ORBTXYMNDALFAK-OAHLLOKOSA-N 0 3 301.415 2.452 20 30 DEEDHN Cc1nc(NC(=O)[C@@H]2CCN(C)[C@@H]2C)sc1SCC#N ZINC000592756069 357936316 /nfs/dbraw/zinc/93/63/16/357936316.db2.gz ONRHIAXPPISQEF-NXEZZACHSA-N 0 3 310.448 2.346 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(C(=O)NCCC)CC1 ZINC000179922147 199094533 /nfs/dbraw/zinc/09/45/33/199094533.db2.gz LKAMQSKUORHLEL-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000593410640 358072423 /nfs/dbraw/zinc/07/24/23/358072423.db2.gz WPGXCCZAIVKIEZ-INIZCTEOSA-N 0 3 314.433 2.312 20 30 DEEDHN CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1ccc(F)cc1 ZINC000593419813 358073495 /nfs/dbraw/zinc/07/34/95/358073495.db2.gz YKJZCZUTLJBIHV-FZMZJTMJSA-N 0 3 306.337 2.486 20 30 DEEDHN CCOC(=O)CN(CCc1ccccc1)C(=O)C(C#N)CC ZINC000593463482 358084396 /nfs/dbraw/zinc/08/43/96/358084396.db2.gz WUJJLTJOPYAYMO-OAHLLOKOSA-N 0 3 302.374 2.171 20 30 DEEDHN C#CCCCCC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000180012464 199106836 /nfs/dbraw/zinc/10/68/36/199106836.db2.gz ZDCGYISGKTYOFI-UHFFFAOYSA-N 0 3 302.418 2.437 20 30 DEEDHN CC[C@@H](C#N)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000593571307 358104716 /nfs/dbraw/zinc/10/47/16/358104716.db2.gz CYISVDFPTBWALU-WMLDXEAASA-N 0 3 315.417 2.498 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000594337781 358244832 /nfs/dbraw/zinc/24/48/32/358244832.db2.gz LSCPDCXXRMBANW-FHLIZLRMSA-N 0 3 311.429 2.289 20 30 DEEDHN N#Cc1ccc(NCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594422360 358265258 /nfs/dbraw/zinc/26/52/58/358265258.db2.gz YOCJABKXIBGHLW-SJORKVTESA-N 0 3 312.417 2.103 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000594433600 358268324 /nfs/dbraw/zinc/26/83/24/358268324.db2.gz PONBFXHPFJQYPQ-ZIAGYGMSSA-N 0 3 317.389 2.204 20 30 DEEDHN COc1ccc(CN(C)C(=O)[C@H](N)CCCCC#N)cc1C ZINC000594439248 358270770 /nfs/dbraw/zinc/27/07/70/358270770.db2.gz OUDPRJHJXCHTCZ-OAHLLOKOSA-N 0 3 303.406 2.373 20 30 DEEDHN CC(C)c1nnc2ccc(NC(=O)[C@H](N)CCCCC#N)cn21 ZINC000594443327 358273339 /nfs/dbraw/zinc/27/33/39/358273339.db2.gz OHLWEFLVDVKIDZ-CYBMUJFWSA-N 0 3 314.393 2.202 20 30 DEEDHN Cc1c[nH]c(CNC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000594933838 358363273 /nfs/dbraw/zinc/36/32/73/358363273.db2.gz COEJDZJAWZRKOF-UHFFFAOYSA-N 0 3 311.389 2.465 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccc(C#N)cc1 ZINC000595058143 358384856 /nfs/dbraw/zinc/38/48/56/358384856.db2.gz YPKWUIWQYZDKJE-HZPDHXFCSA-N 0 3 306.431 2.046 20 30 DEEDHN COc1ccc(N2C[C@H](N[C@@H]3CCC[C@H](C#N)C3)CC2=O)cc1 ZINC000595070408 358386777 /nfs/dbraw/zinc/38/67/77/358386777.db2.gz URFADTQSHOVMMU-RRFJBIMHSA-N 0 3 313.401 2.472 20 30 DEEDHN N#Cc1ccc(CCN2CCOCC3(CCOCC3)C2)cc1 ZINC000595428316 358446145 /nfs/dbraw/zinc/44/61/45/358446145.db2.gz XQPGFGXBNLGGID-UHFFFAOYSA-N 0 3 300.402 2.230 20 30 DEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000595431032 358446885 /nfs/dbraw/zinc/44/68/85/358446885.db2.gz WTFXVUIVVWVDOO-FGTMMUONSA-N 0 3 317.408 2.311 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CN1C1CC1 ZINC000618822192 363613046 /nfs/dbraw/zinc/61/30/46/363613046.db2.gz VCQISAMLFWHAFN-CDHAZOANSA-N 0 3 324.428 2.470 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595789310 358550574 /nfs/dbraw/zinc/55/05/74/358550574.db2.gz QQQPQWSWPPOTTM-OWCLPIDISA-N 0 3 319.449 2.218 20 30 DEEDHN Cn1ncc(C#N)c1NCC1(N2CCSCC2)CCCC1 ZINC000596074018 358603762 /nfs/dbraw/zinc/60/37/62/358603762.db2.gz OHTVWRPNICDNAW-UHFFFAOYSA-N 0 3 305.451 2.065 20 30 DEEDHN C[C@H]1CCN(c2c(C#N)cnn2C)CCN1Cc1ccccc1 ZINC000596145401 358622079 /nfs/dbraw/zinc/62/20/79/358622079.db2.gz SNTREBQQLOJYLZ-HNNXBMFYSA-N 0 3 309.417 2.393 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1c(C#N)cnn1C ZINC000596181887 358633015 /nfs/dbraw/zinc/63/30/15/358633015.db2.gz MFNMGTZOWFYVHT-UHFFFAOYSA-N 0 3 324.432 2.430 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c[nH]1 ZINC000181154908 199258499 /nfs/dbraw/zinc/25/84/99/199258499.db2.gz XUPFVNUXIMFXRG-KRWDZBQOSA-N 0 3 308.385 2.453 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596675094 358738560 /nfs/dbraw/zinc/73/85/60/358738560.db2.gz WFTLDEWJDKPYLV-QGZVFWFLSA-N 0 3 314.433 2.084 20 30 DEEDHN COc1cc(CN2CC[C@@H](CN3CCCC3=O)C2)ccc1C#N ZINC000597227170 358862137 /nfs/dbraw/zinc/86/21/37/358862137.db2.gz ACUJTPPKODGSMB-OAHLLOKOSA-N 0 3 313.401 2.011 20 30 DEEDHN COCCN1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000597168657 358842776 /nfs/dbraw/zinc/84/27/76/358842776.db2.gz DRPGMEQZFTXGFT-OAHLLOKOSA-N 0 3 307.438 2.078 20 30 DEEDHN CC1CCC(N2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598592182 359253799 /nfs/dbraw/zinc/25/37/99/359253799.db2.gz HCJDPIMKDRQZPA-JCYILVPMSA-N 0 3 307.482 2.483 20 30 DEEDHN C[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000598619491 359263300 /nfs/dbraw/zinc/26/33/00/359263300.db2.gz DCLHSBPEFCDHPS-QWHCGFSZSA-N 0 3 321.387 2.103 20 30 DEEDHN CCC(C#N)(CC)C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000599440557 359500057 /nfs/dbraw/zinc/50/00/57/359500057.db2.gz VMUZISGWCRYDAU-UHFFFAOYSA-N 0 3 321.465 2.468 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](CC)c1cc(C)ccc1C ZINC000599640232 359552446 /nfs/dbraw/zinc/55/24/46/359552446.db2.gz IVPNIGHIZCPHHR-OAHLLOKOSA-N 0 3 303.406 2.356 20 30 DEEDHN COc1cc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c(F)cc1C#N ZINC000599820133 359606153 /nfs/dbraw/zinc/60/61/53/359606153.db2.gz VDKNGDPQZSWFMG-PWSUYJOCSA-N 0 3 320.368 2.310 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC(C)(CO)CC1 ZINC000186949911 200036254 /nfs/dbraw/zinc/03/62/54/200036254.db2.gz GEJPENJKSOQNAN-UHFFFAOYSA-N 0 3 304.390 2.040 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cnn2CC)CC1 ZINC000667817533 540533587 /nfs/dbraw/zinc/53/35/87/540533587.db2.gz YYONZNCSLJJVIB-UHFFFAOYSA-N 0 3 305.426 2.373 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc4n[nH]cc43)C2)nc1 ZINC000600162587 359670961 /nfs/dbraw/zinc/67/09/61/359670961.db2.gz SBMVLJRDTALQBW-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN C=C(C)[C@H](NCCCC(=O)NC(N)=O)c1ccc(F)c(F)c1 ZINC000187787971 200156996 /nfs/dbraw/zinc/15/69/96/200156996.db2.gz OAJOJRDZGNSXGN-AWEZNQCLSA-N 0 3 311.332 2.147 20 30 DEEDHN CN(C)CC1(NC(=O)CSc2ccc(C#N)cc2)CCC1 ZINC000281077314 216064992 /nfs/dbraw/zinc/06/49/92/216064992.db2.gz NMRZNJNLMCUMTD-UHFFFAOYSA-N 0 3 303.431 2.251 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)Cc1ccc(Br)cc1 ZINC000188381458 200237711 /nfs/dbraw/zinc/23/77/11/200237711.db2.gz LUGOMLMDSOMCCT-NSHDSACASA-N 0 3 311.223 2.272 20 30 DEEDHN N#Cc1cc(F)cc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000600956073 359870971 /nfs/dbraw/zinc/87/09/71/359870971.db2.gz VSTCHVBPCGWUEB-VIFPVBQESA-N 0 3 301.199 2.075 20 30 DEEDHN C=CC[C@@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000668493826 540673232 /nfs/dbraw/zinc/67/32/32/540673232.db2.gz RVYVUVSSVUXRMG-MRXNPFEDSA-N 0 3 315.465 2.017 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC000602574391 360439162 /nfs/dbraw/zinc/43/91/62/360439162.db2.gz ZXYOLEXDGSGVLQ-INIZCTEOSA-N 0 3 308.385 2.386 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(=O)[nH]c1)C(C)C ZINC000668682235 540709125 /nfs/dbraw/zinc/70/91/25/540709125.db2.gz BGQKDSSRRUMMTR-MRXNPFEDSA-N 0 3 317.433 2.145 20 30 DEEDHN COc1ccccc1N1CC[C@@H](NC[C@H](C)CCC#N)C1=O ZINC000602567068 360435533 /nfs/dbraw/zinc/43/55/33/360435533.db2.gz HGMIASQVQVMXKH-ZIAGYGMSSA-N 0 3 301.390 2.330 20 30 DEEDHN CCC[C@H](C)C(=O)NCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602671627 360488512 /nfs/dbraw/zinc/48/85/12/360488512.db2.gz VXUXNQUCGFLENC-LSDHHAIUSA-N 0 3 309.454 2.227 20 30 DEEDHN C[C@@H](CCC#N)CN(CCN1CCOCC1)Cc1ccco1 ZINC000602685540 360497064 /nfs/dbraw/zinc/49/70/64/360497064.db2.gz ITOXPVSGFWGCMP-INIZCTEOSA-N 0 3 305.422 2.354 20 30 DEEDHN N#Cc1cccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000602620271 360460309 /nfs/dbraw/zinc/46/03/09/360460309.db2.gz AQQXPTAVJFKSRM-SFHVURJKSA-N 0 3 304.353 2.049 20 30 DEEDHN CC[C@](C)(CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602632409 360467996 /nfs/dbraw/zinc/46/79/96/360467996.db2.gz SZEUNBJTFVJYDB-FUHWJXTLSA-N 0 3 315.417 2.064 20 30 DEEDHN CC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000281253782 216187508 /nfs/dbraw/zinc/18/75/08/216187508.db2.gz DWFATUXIIOPOBQ-INIZCTEOSA-N 0 3 301.390 2.388 20 30 DEEDHN CSC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602918341 360626497 /nfs/dbraw/zinc/62/64/97/360626497.db2.gz CPCMXTXHQIKULI-OAHLLOKOSA-N 0 3 320.458 2.320 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000669150250 540790064 /nfs/dbraw/zinc/79/00/64/540790064.db2.gz PVFYXNWMBZCHJZ-NOLJZWGESA-N 0 3 308.447 2.184 20 30 DEEDHN CN1CC[C@H]2CCN(c3cc(C#N)c(Br)cn3)[C@H]2C1 ZINC000603333924 360795830 /nfs/dbraw/zinc/79/58/30/360795830.db2.gz IKKDMSHJUXWEAM-GWCFXTLKSA-N 0 3 321.222 2.246 20 30 DEEDHN CCCC(=O)NC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000603682370 360853224 /nfs/dbraw/zinc/85/32/24/360853224.db2.gz LAYDAOXYTGRQMY-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C[C@H](NC[C@@H](O)COCC(F)(F)F)c1ccc(C#N)cc1 ZINC000292444327 223083625 /nfs/dbraw/zinc/08/36/25/223083625.db2.gz NENZYHIBNYLUGG-GXFFZTMASA-N 0 3 302.296 2.149 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000669578108 540867717 /nfs/dbraw/zinc/86/77/17/540867717.db2.gz FRGIXUGQLPJARN-WBVHZDCISA-N 0 3 315.417 2.070 20 30 DEEDHN Fc1ccc(C#CCN2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000670985635 540949690 /nfs/dbraw/zinc/94/96/90/540949690.db2.gz GEIDAEUATOUCJQ-LJQANCHMSA-N 0 3 316.420 2.364 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4c[nH]nc4c3)C2)nc1 ZINC000292690294 223203833 /nfs/dbraw/zinc/20/38/33/223203833.db2.gz BJZXSBXIXOHEJJ-MRXNPFEDSA-N 0 3 319.368 2.483 20 30 DEEDHN CCN1CCC(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000610400212 361394343 /nfs/dbraw/zinc/39/43/43/361394343.db2.gz ZVPSOYXPCPTPRR-ZDUSSCGKSA-N 0 3 300.406 2.403 20 30 DEEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C)[C@H](C(C)C)C1 ZINC000488009864 291276660 /nfs/dbraw/zinc/27/66/60/291276660.db2.gz OKGOSSSAPWWHMU-DLBZAZTESA-N 0 3 315.417 2.044 20 30 DEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000611552398 361627949 /nfs/dbraw/zinc/62/79/49/361627949.db2.gz XYXCRPCAJNEUNO-CRAIPNDOSA-N 0 3 317.408 2.435 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(CC#N)CC2)cc1 ZINC000611687989 361656978 /nfs/dbraw/zinc/65/69/78/361656978.db2.gz YLYZAJAALOEVTI-KRWDZBQOSA-N 0 3 313.401 2.118 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000194981920 201321733 /nfs/dbraw/zinc/32/17/33/201321733.db2.gz NLQYZUPMQPKAAM-DLBZAZTESA-N 0 3 300.377 2.143 20 30 DEEDHN CC(C)[C@@H](CO)[C@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000451603935 243188121 /nfs/dbraw/zinc/18/81/21/243188121.db2.gz XYUVSVZXQZBPBB-UKRRQHHQSA-N 0 3 323.462 2.437 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000451635477 243239644 /nfs/dbraw/zinc/23/96/44/243239644.db2.gz XLHMXBDOJKQTCC-DSZOFWSKSA-N 0 3 321.465 2.463 20 30 DEEDHN C=CCN(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000275148930 212150317 /nfs/dbraw/zinc/15/03/17/212150317.db2.gz VPVSKNKNXBKFAO-UHFFFAOYSA-N 0 3 302.418 2.149 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H]1N1CCCC1 ZINC000275136618 212142996 /nfs/dbraw/zinc/14/29/96/212142996.db2.gz PGLJQDYAQQDYRL-TZMCWYRMSA-N 0 3 321.471 2.272 20 30 DEEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000678754792 541761655 /nfs/dbraw/zinc/76/16/55/541761655.db2.gz NNXJOLSJSNCHFP-KGLIPLIRSA-N 0 3 308.447 2.389 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1OC ZINC000262734578 203395187 /nfs/dbraw/zinc/39/51/87/203395187.db2.gz IKXQAJSFQIVRDV-QWHCGFSZSA-N 0 3 304.390 2.082 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000264625814 204037933 /nfs/dbraw/zinc/03/79/33/204037933.db2.gz CENOUPSZHUWWAT-GDBMZVCRSA-N 0 3 315.417 2.316 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264595944 204017163 /nfs/dbraw/zinc/01/71/63/204017163.db2.gz MOLLLSFPBHYEJL-KRWDZBQOSA-N 0 3 312.417 2.328 20 30 DEEDHN C=CCNC(=O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)nc1 ZINC000264879925 204235092 /nfs/dbraw/zinc/23/50/92/204235092.db2.gz QRMCYMLCMZNVDO-MRXNPFEDSA-N 0 3 314.433 2.062 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)COc1ccc(C#N)cc1 ZINC000264958025 204303700 /nfs/dbraw/zinc/30/37/00/204303700.db2.gz LOVIYLKDLUCHDD-MRXNPFEDSA-N 0 3 315.417 2.318 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000264972225 204315235 /nfs/dbraw/zinc/31/52/35/204315235.db2.gz PPBZBBRILBUGDF-OFQRWUPVSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000265079443 204383809 /nfs/dbraw/zinc/38/38/09/204383809.db2.gz PXEUGXAIBLWIAQ-AWEZNQCLSA-N 0 3 305.447 2.283 20 30 DEEDHN C=CCOCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000679505212 541865609 /nfs/dbraw/zinc/86/56/09/541865609.db2.gz TWQFNAMRDYZENF-KRWDZBQOSA-N 0 3 317.433 2.325 20 30 DEEDHN CC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1C[C@H](C)O ZINC000266386499 205308991 /nfs/dbraw/zinc/30/89/91/205308991.db2.gz NLELHIZMKMKUEL-JSGCOSHPSA-N 0 3 307.825 2.493 20 30 DEEDHN C=CC[C@@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000266484988 205380281 /nfs/dbraw/zinc/38/02/81/205380281.db2.gz IGGUZNJLIBDQLS-CQSZACIVSA-N 0 3 301.434 2.349 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000454723639 246100744 /nfs/dbraw/zinc/10/07/44/246100744.db2.gz SXBAAPZNSATBAX-IKGGRYGDSA-N 0 3 312.417 2.377 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccncn1 ZINC000680617737 542031749 /nfs/dbraw/zinc/03/17/49/542031749.db2.gz BXVCGCXGHDHSHD-ZDUSSCGKSA-N 0 3 306.325 2.241 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000458334774 248265919 /nfs/dbraw/zinc/26/59/19/248265919.db2.gz NDKWISLILGJVCV-JKSUJKDBSA-N 0 3 321.465 2.236 20 30 DEEDHN CCOC(=O)[C@@](C)(O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000274157072 211386659 /nfs/dbraw/zinc/38/66/59/211386659.db2.gz DPWGRYYCCHOKMY-GUYCJALGSA-N 0 3 304.390 2.255 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000105807543 194133884 /nfs/dbraw/zinc/13/38/84/194133884.db2.gz KAKBOISPVJSQHN-OJXHRBAXSA-N 0 3 313.401 2.203 20 30 DEEDHN N#Cc1ccc(OC2CCN(CCC3OCCO3)CC2)c(F)c1 ZINC000285556594 218509308 /nfs/dbraw/zinc/50/93/08/218509308.db2.gz SBCIYCXECFUEMH-UHFFFAOYSA-N 0 3 320.364 2.304 20 30 DEEDHN COc1ccc(OC)c([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185760431 532987616 /nfs/dbraw/zinc/98/76/16/532987616.db2.gz PFNZGUGBOYRHCO-WOSRLPQWSA-N 0 3 304.390 2.409 20 30 DEEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cccc(C#N)c2)C1 ZINC000538702862 285049585 /nfs/dbraw/zinc/04/95/85/285049585.db2.gz DZFROIXVFBKPGJ-RBUKOAKNSA-N 0 3 319.408 2.315 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCC[C@@H]1O ZINC000270048359 208105111 /nfs/dbraw/zinc/10/51/11/208105111.db2.gz FDXDTIOUPLBJSX-CABCVRRESA-N 0 3 304.390 2.038 20 30 DEEDHN CCN1CCC(NC(=O)N2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000329234765 285183785 /nfs/dbraw/zinc/18/37/85/285183785.db2.gz MXSUAAPJJJEFLF-MRXNPFEDSA-N 0 3 319.453 2.345 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000155068060 197018715 /nfs/dbraw/zinc/01/87/15/197018715.db2.gz CBRVKWJXJOBRKU-NSHDSACASA-N 0 3 307.344 2.250 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)cc1F ZINC000120526800 195184217 /nfs/dbraw/zinc/18/42/17/195184217.db2.gz PCKWNCDWZFSXPY-LRDDRELGSA-N 0 3 318.396 2.179 20 30 DEEDHN COCC#CCN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000685596184 542741906 /nfs/dbraw/zinc/74/19/06/542741906.db2.gz JEOSGKUZHQCOQU-JKSUJKDBSA-N 0 3 310.800 2.464 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)NCCN1CCCCC1 ZINC000546708367 285520883 /nfs/dbraw/zinc/52/08/83/285520883.db2.gz CTQWFQBSJSFUSJ-UHFFFAOYSA-N 0 3 302.378 2.174 20 30 DEEDHN COC(=O)c1cccc(CN[C@H](CCO)C(C)(C)C)c1C#N ZINC000546930538 285539054 /nfs/dbraw/zinc/53/90/54/285539054.db2.gz BPLYHBSVNICSGD-OAHLLOKOSA-N 0 3 304.390 2.232 20 30 DEEDHN N#Cc1cccc(CN[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000376713886 133305106 /nfs/dbraw/zinc/30/51/06/133305106.db2.gz ASMDMLKTEJKPFC-IBGZPJMESA-N 0 3 319.408 2.491 20 30 DEEDHN CC[C@@]1(C(C)C)C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000563001240 292023404 /nfs/dbraw/zinc/02/34/04/292023404.db2.gz XUFNFBBXTCDVDS-ZBFHGGJFSA-N 0 3 321.446 2.141 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C ZINC000352593381 404478959 /nfs/dbraw/zinc/47/89/59/404478959.db2.gz QFWLBWXTRYKVSX-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000249048621 145177032 /nfs/dbraw/zinc/17/70/32/145177032.db2.gz HUVJSGJMUGNUAA-XJKSGUPXSA-N 0 3 302.374 2.068 20 30 DEEDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000262733145 145301863 /nfs/dbraw/zinc/30/18/63/145301863.db2.gz FHONSTHVXSXQEZ-SNVBAGLBSA-N 0 3 315.826 2.007 20 30 DEEDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000262733075 145302084 /nfs/dbraw/zinc/30/20/84/145302084.db2.gz FDNCGSJPJLLSFQ-UHFFFAOYSA-N 0 3 315.826 2.007 20 30 DEEDHN C[C@@H]1C[C@H](CC[NH+]=C([O-])NC[C@H]2CCc3nccn3C2)CCO1 ZINC000329894952 404486167 /nfs/dbraw/zinc/48/61/67/404486167.db2.gz KIARRQDPBDRTCR-RBSFLKMASA-N 0 3 320.437 2.154 20 30 DEEDHN C[C@@H]1C[C@H](CCNC([O-])=[NH+]C[C@H]2CCc3nccn3C2)CCO1 ZINC000329894952 404486175 /nfs/dbraw/zinc/48/61/75/404486175.db2.gz KIARRQDPBDRTCR-RBSFLKMASA-N 0 3 320.437 2.154 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H](C)C1 ZINC000346179049 146031123 /nfs/dbraw/zinc/03/11/23/146031123.db2.gz GJZMRLGVHPAIFG-OGHNNQOOSA-N 0 3 315.392 2.500 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000359106941 147262977 /nfs/dbraw/zinc/26/29/77/147262977.db2.gz ORHMMGFKSQVAET-BBRMVZONSA-N 0 3 308.385 2.452 20 30 DEEDHN C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1(F)F ZINC000359305828 147303532 /nfs/dbraw/zinc/30/35/32/147303532.db2.gz ZMNSLXLALXSNLY-IUODEOHRSA-N 0 3 321.371 2.350 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCc3ccccc3OC2)cc1 ZINC000374629366 148270369 /nfs/dbraw/zinc/27/03/69/148270369.db2.gz VTDUAUXCHJGNGJ-QGZVFWFLSA-N 0 3 321.380 2.480 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c(C#N)c1C ZINC000375425385 148369975 /nfs/dbraw/zinc/36/99/75/148369975.db2.gz GMBGWVBDAVLENU-VQISRLSMSA-N 0 3 317.389 2.252 20 30 DEEDHN CC(C)n1nccc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000375676850 148399126 /nfs/dbraw/zinc/39/91/26/148399126.db2.gz HSFJIEKTGKVAPO-UHFFFAOYSA-N 0 3 324.432 2.489 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000127637372 401743615 /nfs/dbraw/zinc/74/36/15/401743615.db2.gz RCEDJLDLRFVYIE-ZDUSSCGKSA-N 0 3 324.222 2.470 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2csc(CC)n2)CC1 ZINC000110494692 401690769 /nfs/dbraw/zinc/69/07/69/401690769.db2.gz WGFHALSXOGOKEX-GFCCVEGCSA-N 0 3 305.447 2.228 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110628098 401692534 /nfs/dbraw/zinc/69/25/34/401692534.db2.gz WXJCCTVQNTZBJN-OAHLLOKOSA-N 0 3 315.417 2.122 20 30 DEEDHN N#Cc1cccc(OCCN2CCC[C@H](C3OCCO3)C2)c1 ZINC000110850239 401694799 /nfs/dbraw/zinc/69/47/99/401694799.db2.gz HZFFFBBHIYMIQT-HNNXBMFYSA-N 0 3 302.374 2.022 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110997821 401697191 /nfs/dbraw/zinc/69/71/91/401697191.db2.gz SPNMWZWKLMKYNC-MRXNPFEDSA-N 0 3 315.417 2.122 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCN(CC(C)C)CC1 ZINC000077247559 401807585 /nfs/dbraw/zinc/80/75/85/401807585.db2.gz CIGJIHGFAZORPJ-UHFFFAOYSA-N 0 3 317.433 2.219 20 30 DEEDHN CCN(CCOc1ccc(C#N)cc1OC)C[C@@H]1CCCO1 ZINC000077316064 401810518 /nfs/dbraw/zinc/81/05/18/401810518.db2.gz BVWLIINHBBYXBA-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN C=CCC[C@H](O)CN(C)CCN1CCN(c2ccccc2)CC1 ZINC000130254654 401825019 /nfs/dbraw/zinc/82/50/19/401825019.db2.gz PJRDWTNYZHRDQD-IBGZPJMESA-N 0 3 317.477 2.068 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)CSc1ccc(C#N)cc1 ZINC000115442833 401828264 /nfs/dbraw/zinc/82/82/64/401828264.db2.gz XPALDCKRZKICFH-HNNXBMFYSA-N 0 3 317.458 2.451 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCc3ccccc32)C(N)=O)cc1 ZINC000115599984 401833888 /nfs/dbraw/zinc/83/38/88/401833888.db2.gz ZADPLJXGZZBEIQ-FUHWJXTLSA-N 0 3 305.381 2.404 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1cccc(C#N)c1 ZINC000115795809 401837211 /nfs/dbraw/zinc/83/72/11/401837211.db2.gz ZIQOQNHBFWBSKF-MRXNPFEDSA-N 0 3 300.406 2.041 20 30 DEEDHN Cc1ccccc1OCCN(C)CCC(=O)N(C)CCC#N ZINC000130896761 401840245 /nfs/dbraw/zinc/84/02/45/401840245.db2.gz NJMKMJOQMFMUET-UHFFFAOYSA-N 0 3 303.406 2.068 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)cc1 ZINC000078676727 401861387 /nfs/dbraw/zinc/86/13/87/401861387.db2.gz TYIFELKDUKVMMS-AWEZNQCLSA-N 0 3 300.406 2.232 20 30 DEEDHN C=CC[C@@H](C)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000116944798 401865133 /nfs/dbraw/zinc/86/51/33/401865133.db2.gz RMYZNIOYHOFNJF-CQSZACIVSA-N 0 3 305.422 2.391 20 30 DEEDHN C=CCN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133459303 401887030 /nfs/dbraw/zinc/88/70/30/401887030.db2.gz IKMGYIVONIDENA-QGZVFWFLSA-N 0 3 300.450 2.102 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CSCC#N)CN1Cc1ccccc1 ZINC000134900591 401918638 /nfs/dbraw/zinc/91/86/38/401918638.db2.gz JRBMMNTVIJMPRZ-HIFRSBDPSA-N 0 3 303.431 2.022 20 30 DEEDHN CCN(CC)[C@H](CNC(=O)CSCC#N)c1ccccc1 ZINC000046024437 401964505 /nfs/dbraw/zinc/96/45/05/401964505.db2.gz LSPXXHSYMVEWCC-OAHLLOKOSA-N 0 3 305.447 2.442 20 30 DEEDHN N#Cc1cccc(OC2CCN(CC[C@H]3CCOC3=O)CC2)c1 ZINC000120454117 401990215 /nfs/dbraw/zinc/99/02/15/401990215.db2.gz ALELEMVBOAOXDA-HNNXBMFYSA-N 0 3 314.385 2.355 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@H](C(=O)NCCC)C1 ZINC000092734215 402007965 /nfs/dbraw/zinc/00/79/65/402007965.db2.gz OHFITPWLJZUSFT-KRWDZBQOSA-N 0 3 314.429 2.437 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000121010309 402010822 /nfs/dbraw/zinc/01/08/22/402010822.db2.gz GLHJOGKBTXAOQV-KRWDZBQOSA-N 0 3 302.418 2.158 20 30 DEEDHN N#CC(C(=O)c1cccc2[nH]c(=O)oc21)c1nc2ccccc2[nH]1 ZINC000152016975 402071276 /nfs/dbraw/zinc/07/12/76/402071276.db2.gz SHJOWUKMUFICRI-JTQLQIEISA-N 0 3 318.292 2.487 20 30 DEEDHN CN(CCNC(=O)NCc1cccc(C#N)c1)Cc1ccccc1 ZINC000054764492 402071516 /nfs/dbraw/zinc/07/15/16/402071516.db2.gz NOTWKHWAFWAYPD-UHFFFAOYSA-N 0 3 322.412 2.489 20 30 DEEDHN COC(=O)CN1CCC(N[C@H](CCC#N)c2ccccc2)CC1 ZINC000123126408 402111927 /nfs/dbraw/zinc/11/19/27/402111927.db2.gz NOPPCEKOHLJQDN-QGZVFWFLSA-N 0 3 315.417 2.258 20 30 DEEDHN CC(=O)N1CC[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000152851853 402112880 /nfs/dbraw/zinc/11/28/80/402112880.db2.gz BMOSMVDXISLTCA-INIZCTEOSA-N 0 3 301.390 2.080 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@H]2CCCO2)CC1 ZINC000124650173 402190587 /nfs/dbraw/zinc/19/05/87/402190587.db2.gz MZJFZOWNAIIOOU-HZPDHXFCSA-N 0 3 309.454 2.284 20 30 DEEDHN Clc1cccc(C#CCN2CCN(C3CCOCC3)CC2)c1 ZINC000154245913 402201233 /nfs/dbraw/zinc/20/12/33/402201233.db2.gz MJINZJPCXPHVAL-UHFFFAOYSA-N 0 3 318.848 2.488 20 30 DEEDHN N#Cc1ccc(SCC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000103084533 402178265 /nfs/dbraw/zinc/17/82/65/402178265.db2.gz MOFQZDHMOVPYFG-HNNXBMFYSA-N 0 3 315.442 2.347 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(OC)no1)C(C)C ZINC000125240827 402220855 /nfs/dbraw/zinc/22/08/55/402220855.db2.gz SLZTUODKXQKXBD-CYBMUJFWSA-N 0 3 307.394 2.112 20 30 DEEDHN C=CCC[C@H](C)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000154609751 402221440 /nfs/dbraw/zinc/22/14/40/402221440.db2.gz GFLOKJHMZFVTPH-ZDUSSCGKSA-N 0 3 324.446 2.012 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C#N)cn1 ZINC000107568011 402235203 /nfs/dbraw/zinc/23/52/03/402235203.db2.gz FOZOVHLWIKXJJZ-MGPQQGTHSA-N 0 3 300.406 2.049 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(COCC)cc2)CC1 ZINC000108933355 402264963 /nfs/dbraw/zinc/26/49/63/402264963.db2.gz GVWHBAFIZAUIDU-UHFFFAOYSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(Cc3ccccc3)CC2)CC1 ZINC000154358678 402207939 /nfs/dbraw/zinc/20/79/39/402207939.db2.gz OXPUJHNAJLUJRT-UHFFFAOYSA-N 0 3 310.441 2.471 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2ncc(C)s2)CC1 ZINC000184758395 402297907 /nfs/dbraw/zinc/29/79/07/402297907.db2.gz GQLRAINHEDWAIS-GFCCVEGCSA-N 0 3 305.447 2.016 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)N(C)CCC#N)c2)CC1 ZINC000184894139 402307285 /nfs/dbraw/zinc/30/72/85/402307285.db2.gz OTSPFOXOCADUDQ-UHFFFAOYSA-N 0 3 315.421 2.206 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000177080236 402367682 /nfs/dbraw/zinc/36/76/82/402367682.db2.gz AFGZOBJBNAGIHD-CPXUFUTESA-N 0 3 301.390 2.022 20 30 DEEDHN C#CCOc1ccccc1CN[C@@H]1CCN(C(=O)OCC)C1 ZINC000185773584 402375851 /nfs/dbraw/zinc/37/58/51/402375851.db2.gz GYHOCOYJZBQQFM-OAHLLOKOSA-N 0 3 302.374 2.019 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC=C(COC)CC1 ZINC000185831287 402381229 /nfs/dbraw/zinc/38/12/29/402381229.db2.gz YYNSJOCNXVALIU-SFHVURJKSA-N 0 3 317.429 2.433 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000176730660 402331399 /nfs/dbraw/zinc/33/13/99/402331399.db2.gz BILXOQCSMSSRMJ-ZWKOTPCHSA-N 0 3 311.429 2.495 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177527050 402412994 /nfs/dbraw/zinc/41/29/94/402412994.db2.gz LJGWCSBEPBALJI-OFQRWUPVSA-N 0 3 315.417 2.265 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1[C@H](C)CCC[C@H]1CO ZINC000162353859 402417254 /nfs/dbraw/zinc/41/72/54/402417254.db2.gz UOWBSMJWSHZASF-HIFRSBDPSA-N 0 3 304.390 2.181 20 30 DEEDHN CC(C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)S(C)(=O)=O ZINC000187282171 402491580 /nfs/dbraw/zinc/49/15/80/402491580.db2.gz NPNFYHMBOALZKT-BZUNDVKYSA-N 0 3 314.451 2.034 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000247220235 402560529 /nfs/dbraw/zinc/56/05/29/402560529.db2.gz CPYDIGVRPQPDNZ-WMLDXEAASA-N 0 3 300.402 2.111 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](OC)C1 ZINC000171206132 402566855 /nfs/dbraw/zinc/56/68/55/402566855.db2.gz APIOAKMLDIHBES-DLBZAZTESA-N 0 3 305.418 2.266 20 30 DEEDHN C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000170804073 402527232 /nfs/dbraw/zinc/52/72/32/402527232.db2.gz RGXXJTKLCLJDSU-KFWWJZLASA-N 0 3 315.417 2.466 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)CC(F)(F)F ZINC000188944741 402528642 /nfs/dbraw/zinc/52/86/42/402528642.db2.gz OXLBZUGPASEJEX-CQSZACIVSA-N 0 3 316.323 2.320 20 30 DEEDHN C[C@H]1CN(CC(C)(C)O)CCN1CC#Cc1ccc(Cl)cc1 ZINC000189425927 402536235 /nfs/dbraw/zinc/53/62/35/402536235.db2.gz LJTKYBQINGIGEM-HNNXBMFYSA-N 0 3 320.864 2.469 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000171715823 402613679 /nfs/dbraw/zinc/61/36/79/402613679.db2.gz AHIPUAGKTFOKHY-UHFFFAOYSA-N 0 3 307.325 2.114 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000249016553 402618134 /nfs/dbraw/zinc/61/81/34/402618134.db2.gz KEEYHRMWRQYZPW-KYJSFNMBSA-N 0 3 315.417 2.114 20 30 DEEDHN COc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1=O ZINC000249057309 402619107 /nfs/dbraw/zinc/61/91/07/402619107.db2.gz ZAFADUZUMDUTIH-KFWWJZLASA-N 0 3 313.401 2.472 20 30 DEEDHN Cc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)s1 ZINC000180876450 402628876 /nfs/dbraw/zinc/62/88/76/402628876.db2.gz OMYOSWHWCZPRGV-PHIZWAGYSA-N 0 3 305.403 2.234 20 30 DEEDHN CN(C)CCN(CCOc1ccccc1C#N)Cc1ccccn1 ZINC000566423252 292238074 /nfs/dbraw/zinc/23/80/74/292238074.db2.gz CNRKAJNOIDVGOA-UHFFFAOYSA-N 0 3 324.428 2.396 20 30 DEEDHN Cn1cc(CNCCNC(=O)c2ccccc2Cl)cc1C#N ZINC000191035068 402637567 /nfs/dbraw/zinc/63/75/67/402637567.db2.gz LKIQNQFPZUXTIV-UHFFFAOYSA-N 0 3 316.792 2.070 20 30 DEEDHN N#CCSCCCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000173889740 402717521 /nfs/dbraw/zinc/71/75/21/402717521.db2.gz SWMZTCBZQJMLMN-ZDUSSCGKSA-N 0 3 305.451 2.051 20 30 DEEDHN CCCCN(CCO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192571721 402737608 /nfs/dbraw/zinc/73/76/08/402737608.db2.gz QEOZBJKNKMXEKD-KRWDZBQOSA-N 0 3 315.417 2.148 20 30 DEEDHN C[C@@H](O)CN1CCN(CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000192959821 402758614 /nfs/dbraw/zinc/75/86/14/402758614.db2.gz SBHCEXRMNHTBTJ-LSDHHAIUSA-N 0 3 306.837 2.078 20 30 DEEDHN COc1ccc(CN[C@H](C)C[S@@](C)=O)cc1OCCCC#N ZINC000184266897 402831379 /nfs/dbraw/zinc/83/13/79/402831379.db2.gz NOECLQYSBITSIZ-MCMMXHMISA-N 0 3 324.446 2.234 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000195097097 402831883 /nfs/dbraw/zinc/83/18/83/402831883.db2.gz UDSWYZXBWYWKON-UHFFFAOYSA-N 0 3 323.299 2.157 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CCC)CCc1cccs1 ZINC000184513459 402848259 /nfs/dbraw/zinc/84/82/59/402848259.db2.gz FUFHVVALURZHQY-UHFFFAOYSA-N 0 3 309.435 2.014 20 30 DEEDHN C#CCCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000271356644 402861490 /nfs/dbraw/zinc/86/14/90/402861490.db2.gz IDGCLZJQXFRKRL-UHFFFAOYSA-N 0 3 314.433 2.353 20 30 DEEDHN C#Cc1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000279115109 402905309 /nfs/dbraw/zinc/90/53/09/402905309.db2.gz WQEOBEPGHXXWBR-SFHVURJKSA-N 0 3 309.413 2.347 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000278920217 402886113 /nfs/dbraw/zinc/88/61/13/402886113.db2.gz RSWBMQGUSSBUPH-APWZRJJASA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CCN(CCOC)C2)cc1OC ZINC000264545732 402887937 /nfs/dbraw/zinc/88/79/37/402887937.db2.gz BRZFMUNTMLOYNL-INIZCTEOSA-N 0 3 320.433 2.070 20 30 DEEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCN(C)CC1 ZINC000265719132 402943190 /nfs/dbraw/zinc/94/31/90/402943190.db2.gz KQDIJMNQQGRCJQ-LBPRGKRZSA-N 0 3 320.824 2.176 20 30 DEEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000265794404 402950478 /nfs/dbraw/zinc/95/04/78/402950478.db2.gz ORSGUGUIDGFKMS-QZTJIDSGSA-N 0 3 322.412 2.248 20 30 DEEDHN CCOC1CC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272575879 402955310 /nfs/dbraw/zinc/95/53/10/402955310.db2.gz PQKHOKSDJZPHAT-BDVYOWHSSA-N 0 3 313.401 2.211 20 30 DEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000279588858 402958687 /nfs/dbraw/zinc/95/86/87/402958687.db2.gz RFFGZYRUPQLLMU-BBRMVZONSA-N 0 3 311.385 2.266 20 30 DEEDHN C#CCOc1ccccc1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000265909274 402961350 /nfs/dbraw/zinc/96/13/50/402961350.db2.gz XDNOZVMWHJXLNP-HZPDHXFCSA-N 0 3 321.442 2.144 20 30 DEEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccccc1C#N ZINC000265934523 402963160 /nfs/dbraw/zinc/96/31/60/402963160.db2.gz DVWXLAMRDJFQQH-KSZJFAHPSA-N 0 3 313.401 2.288 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(N)n1)C(C)C ZINC000272368311 402928520 /nfs/dbraw/zinc/92/85/20/402928520.db2.gz UEHJJWDKYPZQPJ-OAHLLOKOSA-N 0 3 302.422 2.092 20 30 DEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000279348027 402933077 /nfs/dbraw/zinc/93/30/77/402933077.db2.gz FCGTURUVJURQGS-KRWDZBQOSA-N 0 3 306.406 2.201 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cnn(C)c1 ZINC000273359703 402997817 /nfs/dbraw/zinc/99/78/17/402997817.db2.gz JKFNDPYFEKJYHN-LBPRGKRZSA-N 0 3 300.362 2.030 20 30 DEEDHN CC(C)(C)C[C@@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280436162 402999954 /nfs/dbraw/zinc/99/99/54/402999954.db2.gz QKAYTCRKKJDQDV-HZPDHXFCSA-N 0 3 313.401 2.154 20 30 DEEDHN C=CCNC(=O)c1ccc(NCCN2CCC[C@@H](C)C2)nc1 ZINC000267258206 403030068 /nfs/dbraw/zinc/03/00/68/403030068.db2.gz VZXLPAOKMDHJSN-CQSZACIVSA-N 0 3 302.422 2.141 20 30 DEEDHN C=CCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273571077 403016413 /nfs/dbraw/zinc/01/64/13/403016413.db2.gz FZHKQSMKKKUJQG-UHFFFAOYSA-N 0 3 306.406 2.411 20 30 DEEDHN N#CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000273614919 403019956 /nfs/dbraw/zinc/01/99/56/403019956.db2.gz UWJGMZCAUGXBEB-INIZCTEOSA-N 0 3 300.406 2.254 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000281790198 403091629 /nfs/dbraw/zinc/09/16/29/403091629.db2.gz ULJDQGMJVLQLBZ-PMACEKPBSA-N 0 3 322.408 2.405 20 30 DEEDHN Cc1cc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)no1 ZINC000280973748 403055650 /nfs/dbraw/zinc/05/56/50/403055650.db2.gz ZGLOLFCFRQNLGL-OAHLLOKOSA-N 0 3 308.341 2.196 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000281165951 403059603 /nfs/dbraw/zinc/05/96/03/403059603.db2.gz BRCNTEJWMKVAAX-NEPJUHHUSA-N 0 3 321.446 2.459 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000274522348 403063678 /nfs/dbraw/zinc/06/36/78/403063678.db2.gz PIAVLJIAAYDCCT-UAGQMJEPSA-N 0 3 314.429 2.098 20 30 DEEDHN C=CCN1CC[C@H](N[C@H](CC)c2ccc3c(c2)OCCO3)C1=O ZINC000282052749 403117475 /nfs/dbraw/zinc/11/74/75/403117475.db2.gz RRTSINWDHFDHAD-CABCVRRESA-N 0 3 316.401 2.285 20 30 DEEDHN N#Cc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277364829 403209834 /nfs/dbraw/zinc/20/98/34/403209834.db2.gz HENFPAWTJDHACG-QGZVFWFLSA-N 0 3 312.417 2.374 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000283806056 403225210 /nfs/dbraw/zinc/22/52/10/403225210.db2.gz BQKHAGKMMRYEFK-GFCCVEGCSA-N 0 3 303.381 2.500 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000276500206 403181467 /nfs/dbraw/zinc/18/14/67/403181467.db2.gz WDKZGAUVNIORFW-WMZOPIPTSA-N 0 3 315.461 2.274 20 30 DEEDHN CC[C@](C)(O)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000330630666 403293149 /nfs/dbraw/zinc/29/31/49/403293149.db2.gz DJLCBFNYMXAOIQ-KYJSFNMBSA-N 0 3 319.449 2.487 20 30 DEEDHN CN1CCN(CCCSCC#N)C[C@H]1Cc1ccccc1 ZINC000284725772 403270803 /nfs/dbraw/zinc/27/08/03/403270803.db2.gz JROYGTIIGRCSDB-QGZVFWFLSA-N 0 3 303.475 2.492 20 30 DEEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NCCCOCC ZINC000284972843 403275244 /nfs/dbraw/zinc/27/52/44/403275244.db2.gz DDYINXSGSMSIAS-SJLPKXTDSA-N 0 3 316.445 2.142 20 30 DEEDHN C=CCc1cc(CNCCC2(O)CCOCC2)cc(OC)c1O ZINC000285398015 403287029 /nfs/dbraw/zinc/28/70/29/403287029.db2.gz DXWVNXBEEGKNRI-UHFFFAOYSA-N 0 3 321.417 2.151 20 30 DEEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000330836774 403309392 /nfs/dbraw/zinc/30/93/92/403309392.db2.gz RNRFILGMKNPJHW-BZUAXINKSA-N 0 3 302.422 2.295 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000342726577 403324662 /nfs/dbraw/zinc/32/46/62/403324662.db2.gz GMWHMCCPVSCHBG-LSDHHAIUSA-N 0 3 318.417 2.181 20 30 DEEDHN C[C@@H](c1ccccc1)[C@H](NCCOc1ccc(C#N)cc1)C(N)=O ZINC000292256535 403336205 /nfs/dbraw/zinc/33/62/05/403336205.db2.gz REVACDMRNBOXLV-KSSFIOAISA-N 0 3 323.396 2.184 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@](CO)(C(C)C)C1 ZINC000293022435 403386374 /nfs/dbraw/zinc/38/63/74/403386374.db2.gz KOSPVCBCQNJYBP-FUHWJXTLSA-N 0 3 308.466 2.306 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@](CO)(C(C)C)C1 ZINC000293022437 403386500 /nfs/dbraw/zinc/38/65/00/403386500.db2.gz KOSPVCBCQNJYBP-WMZOPIPTSA-N 0 3 308.466 2.306 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccccc1C#N ZINC000285910521 403408996 /nfs/dbraw/zinc/40/89/96/403408996.db2.gz SJOMZMIHLJCNTA-GOEBONIOSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCCOCCCCC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000342980970 403417596 /nfs/dbraw/zinc/41/75/96/403417596.db2.gz ASOBVEMAISQGCB-HUUCEWRRSA-N 0 3 314.495 2.253 20 30 DEEDHN COC(=O)[C@@H]1CSCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000332240777 403526875 /nfs/dbraw/zinc/52/68/75/403526875.db2.gz UWGWTZSCUDSPIU-WFASDCNBSA-N 0 3 304.415 2.457 20 30 DEEDHN C[C@@H]1COCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287099154 403553899 /nfs/dbraw/zinc/55/38/99/403553899.db2.gz ZAZJDGPZFWSYNY-XYPHTWIQSA-N 0 3 311.385 2.029 20 30 DEEDHN N#Cc1ccc(N2CCC(NC[C@H](O)C(F)(F)F)CC2)cc1 ZINC000286353617 403506462 /nfs/dbraw/zinc/50/64/62/403506462.db2.gz YWLYJZOHLXNGOT-AWEZNQCLSA-N 0 3 313.323 2.040 20 30 DEEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1OC ZINC000346336800 403585053 /nfs/dbraw/zinc/58/50/53/403585053.db2.gz PPDYQHPIQRRHFM-XHSDSOJGSA-N 0 3 303.402 2.463 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000343434216 403589075 /nfs/dbraw/zinc/58/90/75/403589075.db2.gz WODCCCVXGZODNC-INIZCTEOSA-N 0 3 319.380 2.187 20 30 DEEDHN C=CCOCC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000346514627 403592369 /nfs/dbraw/zinc/59/23/69/403592369.db2.gz BUUONFDLMIHYCR-KRWDZBQOSA-N 0 3 304.434 2.462 20 30 DEEDHN COc1cc(C#N)ccc1CN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287246428 403559306 /nfs/dbraw/zinc/55/93/06/403559306.db2.gz GQWHIHMNXCJPGS-INIZCTEOSA-N 0 3 313.401 2.011 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346170504 403577235 /nfs/dbraw/zinc/57/72/35/403577235.db2.gz AICKGCUKVFYMHK-ZMSDIMECSA-N 0 3 301.434 2.476 20 30 DEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000287350695 403581166 /nfs/dbraw/zinc/58/11/66/403581166.db2.gz WHVVWOFEEATQAX-BLLLJJGKSA-N 0 3 301.365 2.396 20 30 DEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000347064885 403613897 /nfs/dbraw/zinc/61/38/97/403613897.db2.gz IDLMKPVSAIHVRM-GHMZBOCLSA-N 0 3 300.362 2.307 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1cn(C)c2ccccc12 ZINC000293981801 403615924 /nfs/dbraw/zinc/61/59/24/403615924.db2.gz NASQXJDUPMFRKA-UHFFFAOYSA-N 0 3 311.429 2.182 20 30 DEEDHN COc1cccc([C@H](C)N2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000347127708 403616418 /nfs/dbraw/zinc/61/64/18/403616418.db2.gz FIJYHXIQBKVFIU-KGLIPLIRSA-N 0 3 301.390 2.060 20 30 DEEDHN CC(C#N)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000347108130 403616971 /nfs/dbraw/zinc/61/69/71/403616971.db2.gz OCEPSQVNJOZTJO-GFCCVEGCSA-N 0 3 322.430 2.034 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000347134569 403617674 /nfs/dbraw/zinc/61/76/74/403617674.db2.gz MCEUDDAKXUIGMS-ZYHUDNBSSA-N 0 3 322.206 2.304 20 30 DEEDHN CCN1CCN([C@H](C)CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000301506660 403639242 /nfs/dbraw/zinc/63/92/42/403639242.db2.gz HDFIZNKGQMNBNO-GFCCVEGCSA-N 0 3 307.829 2.045 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn([C@H](C)CC)c1C1CC1 ZINC000294100357 403647555 /nfs/dbraw/zinc/64/75/55/403647555.db2.gz YEWLERZQOBNIMW-CQSZACIVSA-N 0 3 316.449 2.416 20 30 DEEDHN C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1 ZINC000288021581 403710180 /nfs/dbraw/zinc/71/01/80/403710180.db2.gz CFVIZESNVKBSFE-XJKSGUPXSA-N 0 3 308.385 2.279 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000287930202 403693488 /nfs/dbraw/zinc/69/34/88/403693488.db2.gz HCGPQSRMSMHAFD-YJBOKZPZSA-N 0 3 311.429 2.314 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000294315468 403701304 /nfs/dbraw/zinc/70/13/04/403701304.db2.gz YZECMOYRLRQFIX-UHFFFAOYSA-N 0 3 300.402 2.255 20 30 DEEDHN CN1CC[C@@H]2CCN(c3ncc(Br)cc3C#N)[C@H]2C1 ZINC000294899798 403737879 /nfs/dbraw/zinc/73/78/79/403737879.db2.gz GYLQMJVQOQOQFW-MFKMUULPSA-N 0 3 321.222 2.246 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C[C@H](C)O)C1CCCCC1 ZINC000303375782 403753809 /nfs/dbraw/zinc/75/38/09/403753809.db2.gz OAOZUPJNJHCRHB-YOEHRIQHSA-N 0 3 309.454 2.056 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2CO)CC1 ZINC000347628828 403782797 /nfs/dbraw/zinc/78/27/97/403782797.db2.gz JWMFVHGGFSYVPB-OAHLLOKOSA-N 0 3 316.445 2.124 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](CCNC(C)=O)C1 ZINC000347645398 403789702 /nfs/dbraw/zinc/78/97/02/403789702.db2.gz OJPFXYNTHMVACI-OAHLLOKOSA-N 0 3 315.417 2.305 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](CCNC(C)=O)C1 ZINC000347645394 403789960 /nfs/dbraw/zinc/78/99/60/403789960.db2.gz OJPFXYNTHMVACI-HNNXBMFYSA-N 0 3 315.417 2.305 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC(C)(C)O ZINC000304751610 403801616 /nfs/dbraw/zinc/80/16/16/403801616.db2.gz XNPVCBUISMDCBJ-UUCFBXCCSA-N 0 3 309.454 2.008 20 30 DEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000354601883 403897412 /nfs/dbraw/zinc/89/74/12/403897412.db2.gz WGJNNDGXLXJYOX-UKRRQHHQSA-N 0 3 321.446 2.052 20 30 DEEDHN CC(C)C[C@H](CN(C)C)NC(=O)NCCc1cccc(C#N)c1 ZINC000347740475 403837922 /nfs/dbraw/zinc/83/79/22/403837922.db2.gz BYOKIMUMMKDBLO-QGZVFWFLSA-N 0 3 316.449 2.376 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362070525 403924316 /nfs/dbraw/zinc/92/43/16/403924316.db2.gz XNWPHUUHMYGNLD-FUHWJXTLSA-N 0 3 319.493 2.239 20 30 DEEDHN C=CCS(=O)(=O)CCNC[C@H](C)c1cc(F)cc(F)c1 ZINC000295485953 403952237 /nfs/dbraw/zinc/95/22/37/403952237.db2.gz SKMSFMDHHKGRQR-NSHDSACASA-N 0 3 303.374 2.259 20 30 DEEDHN CO/N=C/C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000289558376 403985166 /nfs/dbraw/zinc/98/51/66/403985166.db2.gz SPUDIFCFYFTBMX-LZNAANCOSA-N 0 3 303.406 2.036 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411975574 404040816 /nfs/dbraw/zinc/04/08/16/404040816.db2.gz VJYFFRWCXCWKFH-LJQANCHMSA-N 0 3 305.381 2.187 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290107598 404043545 /nfs/dbraw/zinc/04/35/45/404043545.db2.gz JHRGYPHPGREKEF-WMLDXEAASA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccccc1 ZINC000344310047 404046532 /nfs/dbraw/zinc/04/65/32/404046532.db2.gz GURGFTXXTGMMKX-ZWKOTPCHSA-N 0 3 313.445 2.200 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000328679043 404130443 /nfs/dbraw/zinc/13/04/43/404130443.db2.gz TUHAEOOTJBRBCF-UKRRQHHQSA-N 0 3 304.438 2.356 20 30 DEEDHN C[C@](C#N)(NC(=O)CN[C@H]1CCC(=O)NC12CCC2)C1CC1 ZINC000328699215 404132845 /nfs/dbraw/zinc/13/28/45/404132845.db2.gz MDJIPYSTZDEKQU-SWLSCSKDSA-N 0 3 304.394 2.266 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000412113984 404142188 /nfs/dbraw/zinc/14/21/88/404142188.db2.gz XRACZYUEVHGQHH-ICSRJNTNSA-N 0 3 322.408 2.400 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412138996 404154570 /nfs/dbraw/zinc/15/45/70/404154570.db2.gz YZMFCIHLLPEJJU-RNJTYBCJSA-N 0 3 311.429 2.460 20 30 DEEDHN C[C@H](C[S@](C)=O)N(C)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290551573 404216985 /nfs/dbraw/zinc/21/69/85/404216985.db2.gz ZBRKTSIGMAUKNR-PEBXRYMYSA-N 0 3 319.474 2.226 20 30 DEEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@@H]1C ZINC000349831011 404218392 /nfs/dbraw/zinc/21/83/92/404218392.db2.gz HBLZNCAOBOSCKD-KBPBESRZSA-N 0 3 324.432 2.273 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000328825751 404157935 /nfs/dbraw/zinc/15/79/35/404157935.db2.gz HQLYEIDCCFXSAT-IAGOWNOFSA-N 0 3 317.433 2.319 20 30 DEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328927902 404174905 /nfs/dbraw/zinc/17/49/05/404174905.db2.gz GDSQGQHKXMQBAT-SQWLQELKSA-N 0 3 320.437 2.329 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1CC ZINC000328938292 404176976 /nfs/dbraw/zinc/17/69/76/404176976.db2.gz GPJMUPONTYLGNV-RRFJBIMHSA-N 0 3 320.437 2.421 20 30 DEEDHN CC[C@H](C)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000296292696 404181135 /nfs/dbraw/zinc/18/11/35/404181135.db2.gz ZHRKWSIOPBCESG-HNNXBMFYSA-N 0 3 314.433 2.303 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)N(C)C1CC1 ZINC000329017317 404200240 /nfs/dbraw/zinc/20/02/40/404200240.db2.gz KREYDUYSTGFCHW-XNRPHZJLSA-N 0 3 320.437 2.327 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[C@H]2C1 ZINC000412250104 404208862 /nfs/dbraw/zinc/20/88/62/404208862.db2.gz LZCXKQPXOYWGMD-OWLYRPNTSA-N 0 3 309.413 2.214 20 30 DEEDHN Cc1cc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)nc(C)n1 ZINC000329104123 404230999 /nfs/dbraw/zinc/23/09/99/404230999.db2.gz CLSPBNOAIMVJRM-INIZCTEOSA-N 0 3 318.421 2.193 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnc2n[nH]nc2c1 ZINC000329159922 404249165 /nfs/dbraw/zinc/24/91/65/404249165.db2.gz XXBVUQPYJXJVMB-TUAOUCFPSA-N 0 3 316.409 2.024 20 30 DEEDHN C[C@@H](NC(=O)N(C)C1CCC(CO)CC1)C1=CCN(C)CC1 ZINC000329293435 404293233 /nfs/dbraw/zinc/29/32/33/404293233.db2.gz JFDNSTRJSIBWKW-VQCLRJIVSA-N 0 3 309.454 2.034 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000352316339 404284672 /nfs/dbraw/zinc/28/46/72/404284672.db2.gz SXIWXUKLTXEPAE-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cc(CNC(=O)[C@H]2CCCN2C2CCOCC2)nc(C)n1 ZINC000329104125 404229664 /nfs/dbraw/zinc/22/96/64/404229664.db2.gz CLSPBNOAIMVJRM-MRXNPFEDSA-N 0 3 318.421 2.193 20 30 DEEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2OCO3)CCN1C ZINC000329481739 404350961 /nfs/dbraw/zinc/35/09/61/404350961.db2.gz VWNLLRGPGXZOMP-RYUDHWBXSA-N 0 3 305.378 2.375 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000329484884 404352241 /nfs/dbraw/zinc/35/22/41/404352241.db2.gz SLWBLMSAYGZAGW-OAHLLOKOSA-N 0 3 319.453 2.378 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCCOC2)CC1 ZINC000355731079 404363157 /nfs/dbraw/zinc/36/31/57/404363157.db2.gz LMOPEDCCCYEFEJ-GJZGRUSLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000355731083 404363723 /nfs/dbraw/zinc/36/37/23/404363723.db2.gz LMOPEDCCCYEFEJ-LSDHHAIUSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(F)(C#N)CC2)CC1 ZINC000344796527 404372504 /nfs/dbraw/zinc/37/25/04/404372504.db2.gz AYTQHHPNXIULPL-UHFFFAOYSA-N 0 3 308.401 2.064 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1ccc(OC)cc1 ZINC000296953872 404388038 /nfs/dbraw/zinc/38/80/38/404388038.db2.gz QKDUZWKOEXUZNG-UHFFFAOYSA-N 0 3 317.433 2.182 20 30 DEEDHN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329662268 404413053 /nfs/dbraw/zinc/41/30/53/404413053.db2.gz PGYOPTLMWBZFCH-OSRDXIQISA-N 0 3 317.389 2.280 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000350560720 404419371 /nfs/dbraw/zinc/41/93/71/404419371.db2.gz UWNKPMBHJLLESP-WBVHZDCISA-N 0 3 314.433 2.310 20 30 DEEDHN C[C@H](NC(=O)NCC(=O)NC1CCCCC1)C1=CCN(C)CC1 ZINC000329691894 404425083 /nfs/dbraw/zinc/42/50/83/404425083.db2.gz CBPALABLRCVJAY-ZDUSSCGKSA-N 0 3 322.453 2.430 20 30 DEEDHN C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CO1 ZINC000329975561 404513398 /nfs/dbraw/zinc/51/33/98/404513398.db2.gz YEXDRUWXSTYWFX-XOKHGSTOSA-N 0 3 318.417 2.135 20 30 DEEDHN CN1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000329718876 404432227 /nfs/dbraw/zinc/43/22/27/404432227.db2.gz ZNLOJODELBBATO-TZMCWYRMSA-N 0 3 310.442 2.072 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C(=O)NCCN3CCC[C@@H](C)C3)C2)c1 ZINC000329733041 404435071 /nfs/dbraw/zinc/43/50/71/404435071.db2.gz QOZFNQXPUVDACJ-GDBMZVCRSA-N 0 3 319.453 2.084 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000350730913 404452904 /nfs/dbraw/zinc/45/29/04/404452904.db2.gz WHEGZASCFNYOIA-UONOGXRCSA-N 0 3 303.454 2.336 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000329824061 404463889 /nfs/dbraw/zinc/46/38/89/404463889.db2.gz ZVVMDQYXIQDQJW-FZMZJTMJSA-N 0 3 317.389 2.076 20 30 DEEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000330203589 404584773 /nfs/dbraw/zinc/58/47/73/404584773.db2.gz AXZXZAGYOMCEJB-MLGOLLRUSA-N 0 3 304.346 2.160 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000356458893 404536117 /nfs/dbraw/zinc/53/61/17/404536117.db2.gz SRMGPPUYZRHTKE-XJKSGUPXSA-N 0 3 308.447 2.450 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000356463106 404539380 /nfs/dbraw/zinc/53/93/80/404539380.db2.gz PBDISWGVAQXEFT-CQSZACIVSA-N 0 3 300.406 2.306 20 30 DEEDHN CC(C#N)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000345099344 404547559 /nfs/dbraw/zinc/54/75/59/404547559.db2.gz CNRLEYXFVUTJOU-SNVBAGLBSA-N 0 3 302.309 2.084 20 30 DEEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000330138576 404563593 /nfs/dbraw/zinc/56/35/93/404563593.db2.gz VPNVGBXYSVOWOY-CQSZACIVSA-N 0 3 309.454 2.323 20 30 DEEDHN C=CCN1CCC(NC(=O)COC(C)(C)C(F)(F)F)CC1 ZINC000345131422 404568475 /nfs/dbraw/zinc/56/84/75/404568475.db2.gz LCFUBTYLJSSSLQ-UHFFFAOYSA-N 0 3 308.344 2.111 20 30 DEEDHN CC(C(=O)N[C@@H]1CC=CCC1)S(=O)(=O)C1CCOCC1 ZINC000330153159 404569659 /nfs/dbraw/zinc/56/96/59/404569659.db2.gz MNLOJBOELVVFDM-VXGBXAGGSA-N 0 3 301.408 2.034 20 30 DEEDHN CC(=O)NC1CCC(NC(=O)N2CC[C@]3(CCN(C)C3)C2)CC1 ZINC000330183152 404576592 /nfs/dbraw/zinc/57/65/92/404576592.db2.gz HSJBSDOGSGVBQX-DQPZFDDXSA-N 0 3 322.453 2.216 20 30 DEEDHN CC(C)[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N(C)C ZINC000356537316 404579067 /nfs/dbraw/zinc/57/90/67/404579067.db2.gz SKBGYLVUEORIHO-KRWDZBQOSA-N 0 3 317.433 2.119 20 30 DEEDHN O=C(CCNC(=O)[C@H]1CCCN1C1CC1)N1CCCCCC1 ZINC000330253748 404603779 /nfs/dbraw/zinc/60/37/79/404603779.db2.gz IZQXITYZCUSXET-OAHLLOKOSA-N 0 3 307.438 2.362 20 30 DEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)C(C)C#N ZINC000351510605 404615080 /nfs/dbraw/zinc/61/50/80/404615080.db2.gz GNEPOKVAZAONEL-SFYZADRCSA-N 0 3 302.300 2.399 20 30 DEEDHN COc1cc(CNCc2cccc(-n3cncn3)c2)ccc1C#N ZINC000374136121 404696044 /nfs/dbraw/zinc/69/60/44/404696044.db2.gz GZQZZFHKDXMXQD-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374170138 404700584 /nfs/dbraw/zinc/70/05/84/404700584.db2.gz IDLQBVXIJIGTGP-NXOAAHMSSA-N 0 3 321.465 2.010 20 30 DEEDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000353134478 404750630 /nfs/dbraw/zinc/75/06/30/404750630.db2.gz HQAJFQSZZNAGNM-ZBFHGGJFSA-N 0 3 303.381 2.480 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(Cc3ccccc3C#N)C2)CC1 ZINC000375886583 404765765 /nfs/dbraw/zinc/76/57/65/404765765.db2.gz AEXOHVNNGXTVDE-IBGZPJMESA-N 0 3 312.461 2.159 20 30 DEEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000414713909 404714836 /nfs/dbraw/zinc/71/48/36/404714836.db2.gz PHNZXIUALDCDOS-ZANVPECISA-N 0 3 322.796 2.446 20 30 DEEDHN COc1cc(CN2CCNC[C@@H]2c2ccncc2)ccc1C#N ZINC000414758463 404725923 /nfs/dbraw/zinc/72/59/23/404725923.db2.gz CRBWHZDGANDJSL-QGZVFWFLSA-N 0 3 308.385 2.108 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000358931748 404780017 /nfs/dbraw/zinc/78/00/17/404780017.db2.gz DKZIGZDGTKZKIB-HUUCEWRRSA-N 0 3 321.469 2.310 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000358982271 404780746 /nfs/dbraw/zinc/78/07/46/404780746.db2.gz BAZOXGSVNJMCRB-UHFFFAOYSA-N 0 3 312.417 2.050 20 30 DEEDHN CO[C@]1(CNCc2cccc(OCCCC#N)c2)CCOC1 ZINC000359660609 404801005 /nfs/dbraw/zinc/80/10/05/404801005.db2.gz WKSQRDGLXVDFIV-KRWDZBQOSA-N 0 3 304.390 2.264 20 30 DEEDHN C[C@@H]1CCC[C@]1(O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000359857985 404807220 /nfs/dbraw/zinc/80/72/20/404807220.db2.gz OXOXSLFQMMXLPL-HFTRVMKXSA-N 0 3 300.402 2.426 20 30 DEEDHN N#Cc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359916470 404809361 /nfs/dbraw/zinc/80/93/61/404809361.db2.gz HTNBZXZDZZOXMD-CYBMUJFWSA-N 0 3 307.269 2.107 20 30 DEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000415557851 404883086 /nfs/dbraw/zinc/88/30/86/404883086.db2.gz DMRRXSVCGOJXSA-NWDGAFQWSA-N 0 3 303.410 2.329 20 30 DEEDHN C[C@H]1CN(CCCNC(=O)[C@@]2(C#N)CC23CCCC3)CCCO1 ZINC000451182157 404890755 /nfs/dbraw/zinc/89/07/55/404890755.db2.gz GYDJREAZFOYOTE-YJBOKZPZSA-N 0 3 319.449 2.078 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)NCC3CCC(C#N)CC3)[C@@H]2C1 ZINC000367018271 404899912 /nfs/dbraw/zinc/89/99/12/404899912.db2.gz WNGASFDABQUTBX-SSHXOBKSSA-N 0 3 304.438 2.052 20 30 DEEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000353572841 404868633 /nfs/dbraw/zinc/86/86/33/404868633.db2.gz ZGQUMWOMTWGCDJ-PWSUYJOCSA-N 0 3 312.797 2.202 20 30 DEEDHN COCCCN(C(=O)c1cc(C#N)cs1)C1CCN(C)CC1 ZINC000291132830 292328093 /nfs/dbraw/zinc/32/80/93/292328093.db2.gz IEWHUFPFHLUMJN-UHFFFAOYSA-N 0 3 321.446 2.193 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC000361084396 404910529 /nfs/dbraw/zinc/91/05/29/404910529.db2.gz AODXDSLHHBFCOE-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C[C@H]1CN(c2cccc(F)c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000367059466 404913962 /nfs/dbraw/zinc/91/39/62/404913962.db2.gz GJKKWXCMUZPXTA-WMLDXEAASA-N 0 3 316.424 2.160 20 30 DEEDHN COC(=O)[C@]1(C)CN(CCOc2ccccc2C#N)C[C@H]1C ZINC000367094296 404928720 /nfs/dbraw/zinc/92/87/20/404928720.db2.gz XUDMZTDCSKFSBY-CXAGYDPISA-N 0 3 302.374 2.068 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H]2CC[C@@H](CO)O2)ccc1OC ZINC000353717324 404938665 /nfs/dbraw/zinc/93/86/65/404938665.db2.gz MQFQKLXCOFKSIT-HOTGVXAUSA-N 0 3 321.417 2.280 20 30 DEEDHN C=CCOc1ccc(CN2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000353741583 404951540 /nfs/dbraw/zinc/95/15/40/404951540.db2.gz SETQSZWEZIVWIB-GOSISDBHSA-N 0 3 300.402 2.354 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000435673814 405003126 /nfs/dbraw/zinc/00/31/26/405003126.db2.gz OMBBSDIUQMUHNF-BPUTZDHNSA-N 0 3 322.836 2.307 20 30 DEEDHN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424109093 405008501 /nfs/dbraw/zinc/00/85/01/405008501.db2.gz ANFMNWVHSKGPBF-LLVKDONJSA-N 0 3 308.769 2.258 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000424109190 405008852 /nfs/dbraw/zinc/00/88/52/405008852.db2.gz ZKWZISNAXUCJNW-IRXDYDNUSA-N 0 3 315.417 2.215 20 30 DEEDHN CCN(C)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000354026848 405009891 /nfs/dbraw/zinc/00/98/91/405009891.db2.gz AFORRGUGRUHBTF-UHFFFAOYSA-N 0 3 324.384 2.427 20 30 DEEDHN COc1ccc(C(C)(C)CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424112181 405010206 /nfs/dbraw/zinc/01/02/06/405010206.db2.gz JDMFVBINNWZYEV-HNNXBMFYSA-N 0 3 303.406 2.110 20 30 DEEDHN CCc1cccc2c(CCNC(=O)[C@@H](N)CCCC#N)c[nH]c21 ZINC000424119941 405013021 /nfs/dbraw/zinc/01/30/21/405013021.db2.gz DIKUIVOAHVWDIO-INIZCTEOSA-N 0 3 312.417 2.410 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000424136571 405018148 /nfs/dbraw/zinc/01/81/48/405018148.db2.gz NVJRLXPTLAEULH-HNNXBMFYSA-N 0 3 320.824 2.010 20 30 DEEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1C(=O)NC(C)C ZINC000424142435 405020100 /nfs/dbraw/zinc/02/01/00/405020100.db2.gz PTCIMRINDTWZFH-OAHLLOKOSA-N 0 3 316.405 2.093 20 30 DEEDHN CC(C)(C)c1csc(CCNC(=O)[C@@H](N)CCCC#N)n1 ZINC000424160820 405026679 /nfs/dbraw/zinc/02/66/79/405026679.db2.gz VAZXGPWJRKIDOW-NSHDSACASA-N 0 3 308.451 2.120 20 30 DEEDHN CN(C)[C@]1(CNC(=O)NCC(C)(C)CCC#N)CCSC1 ZINC000353945023 404974592 /nfs/dbraw/zinc/97/45/92/404974592.db2.gz ZEVPSOOLRSBQQY-HNNXBMFYSA-N 0 3 312.483 2.053 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000424191032 405035280 /nfs/dbraw/zinc/03/52/80/405035280.db2.gz QKZJMOLGWUEAQR-IMJJTQAJSA-N 0 3 319.380 2.041 20 30 DEEDHN CN(Cc1ccc(Br)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424072968 404995884 /nfs/dbraw/zinc/99/58/84/404995884.db2.gz DPOJXFGBLGKNMS-ZDUSSCGKSA-N 0 3 324.222 2.429 20 30 DEEDHN CC#CCCN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367602248 405100498 /nfs/dbraw/zinc/10/04/98/405100498.db2.gz SBKNPVNWUNDAGP-MRXNPFEDSA-N 0 3 321.465 2.027 20 30 DEEDHN N#Cc1ccccc1OCCN1CCC(O[C@@H]2CCOC2)CC1 ZINC000361435239 405074398 /nfs/dbraw/zinc/07/43/98/405074398.db2.gz SGWGVNSBMHQIQE-QGZVFWFLSA-N 0 3 316.401 2.207 20 30 DEEDHN C=CCc1ccc(OCC(=O)NCC2(N(C)C)CC2)c(OC)c1 ZINC000416291635 405088709 /nfs/dbraw/zinc/08/87/09/405088709.db2.gz PAKHWSOLEWCRQZ-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(F)(C#N)CC1 ZINC000418643559 405146523 /nfs/dbraw/zinc/14/65/23/405146523.db2.gz BHMBZCIWWDLSDB-HNNXBMFYSA-N 0 3 318.396 2.286 20 30 DEEDHN CN1CCC2(CCCN2C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000354374775 405182423 /nfs/dbraw/zinc/18/24/23/405182423.db2.gz FDGJPSDLBJUXLR-UHFFFAOYSA-N 0 3 315.392 2.327 20 30 DEEDHN CCN(CC)Cc1cccc(NC(=O)c2cnn(C)c2C#N)c1 ZINC000354419944 405205479 /nfs/dbraw/zinc/20/54/79/405205479.db2.gz MXFXYJORJIOZNE-UHFFFAOYSA-N 0 3 311.389 2.386 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H](O)C1)C(C)C ZINC000439281288 405272937 /nfs/dbraw/zinc/27/29/37/405272937.db2.gz XYQFCTHVDUQMIR-IXDOHACOSA-N 0 3 308.466 2.352 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000437987008 405227525 /nfs/dbraw/zinc/22/75/25/405227525.db2.gz OEHDVVQUQVUYPN-WBVHZDCISA-N 0 3 321.465 2.237 20 30 DEEDHN CC#CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425749521 405317487 /nfs/dbraw/zinc/31/74/87/405317487.db2.gz YRNSRXUSRWFJJA-ZWKOTPCHSA-N 0 3 311.429 2.316 20 30 DEEDHN CN(C)C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000425870468 405325881 /nfs/dbraw/zinc/32/58/81/405325881.db2.gz VWEBNBNBAUZIOG-APHBMKBZSA-N 0 3 318.396 2.420 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCC2(OC)CCC2)CC1 ZINC000454457121 405348393 /nfs/dbraw/zinc/34/83/93/405348393.db2.gz DKRLWPFMRRSZAU-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454478579 405351737 /nfs/dbraw/zinc/35/17/37/405351737.db2.gz FFDVBUNJIHQFNO-OAHLLOKOSA-N 0 3 318.396 2.371 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000426372977 405355249 /nfs/dbraw/zinc/35/52/49/405355249.db2.gz SAXOUXJCUGCIKS-JKSUJKDBSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1CCN(C)C ZINC000455232846 405389676 /nfs/dbraw/zinc/38/96/76/405389676.db2.gz SVDOFRFJCNRGHN-CVEARBPZSA-N 0 3 303.406 2.256 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)O[C@H](CC)C2)CC1 ZINC000420924333 405406197 /nfs/dbraw/zinc/40/61/97/405406197.db2.gz XWTDFYUCGXWTAK-HZPDHXFCSA-N 0 3 309.454 2.236 20 30 DEEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000445901486 405362178 /nfs/dbraw/zinc/36/21/78/405362178.db2.gz XHYMATVCZNOYRL-AAEUAGOBSA-N 0 3 305.344 2.361 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](O)CC[C@@H]1C ZINC000421019171 405431386 /nfs/dbraw/zinc/43/13/86/405431386.db2.gz NHUWLFFOKJPHJT-USXIJHARSA-N 0 3 305.418 2.000 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429530658 405434860 /nfs/dbraw/zinc/43/48/60/405434860.db2.gz VHPKMLQGQOMYER-SOUVJXGZSA-N 0 3 307.438 2.265 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCc2ccccc2C1 ZINC000429708328 405444245 /nfs/dbraw/zinc/44/42/45/405444245.db2.gz JWZIODYFPZPUOX-UHFFFAOYSA-N 0 3 315.461 2.011 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NCc1ccccc1 ZINC000429715831 405444563 /nfs/dbraw/zinc/44/45/63/405444563.db2.gz JCTXQKSXEBHUAB-MRXNPFEDSA-N 0 3 303.450 2.131 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000448807640 405450643 /nfs/dbraw/zinc/45/06/43/405450643.db2.gz AZSIAMBJDSXLHE-SJORKVTESA-N 0 3 306.450 2.302 20 30 DEEDHN CCN(CCNC(=O)Nc1cnc(C#N)c(Cl)c1)C1CC1 ZINC000455798028 405451760 /nfs/dbraw/zinc/45/17/60/405451760.db2.gz WGZDXMWRGGDSTM-UHFFFAOYSA-N 0 3 307.785 2.212 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000430662111 405484498 /nfs/dbraw/zinc/48/44/98/405484498.db2.gz RIVZKHKPWMVHQC-RDJZCZTQSA-N 0 3 302.418 2.358 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458736483 405565450 /nfs/dbraw/zinc/56/54/50/405565450.db2.gz OJSGZQDIBHYSOH-INMHGKMJSA-N 0 3 321.465 2.093 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC(=O)OCC)cc1 ZINC000449549608 405607605 /nfs/dbraw/zinc/60/76/05/405607605.db2.gz ZMNJYMPWURPUKS-SJORKVTESA-N 0 3 319.401 2.452 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nc1 ZINC000580461646 405622017 /nfs/dbraw/zinc/62/20/17/405622017.db2.gz BCDQNFYZJUQVIN-CQSZACIVSA-N 0 3 308.389 2.328 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nc1 ZINC000580461646 405622030 /nfs/dbraw/zinc/62/20/30/405622030.db2.gz BCDQNFYZJUQVIN-CQSZACIVSA-N 0 3 308.389 2.328 20 30 DEEDHN CCOC[C@@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528383754 405584400 /nfs/dbraw/zinc/58/44/00/405584400.db2.gz UAIYHUHHXHKOCE-WBVHZDCISA-N 0 3 318.417 2.046 20 30 DEEDHN COC(=O)c1ccc(N[C@@H](C)CN2CCCCC2)c(C#N)n1 ZINC000582191706 405691068 /nfs/dbraw/zinc/69/10/68/405691068.db2.gz IKFSXWIRGYSSOY-LBPRGKRZSA-N 0 3 302.378 2.026 20 30 DEEDHN C[C@H](CNC(=O)CNc1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000494543052 405717517 /nfs/dbraw/zinc/71/75/17/405717517.db2.gz FKKMLZSXAGDWDH-LSDHHAIUSA-N 0 3 314.433 2.349 20 30 DEEDHN Cc1cccc(OCCNCc2cnc3c(C#N)cnn3c2)c1 ZINC000559272822 405729400 /nfs/dbraw/zinc/72/94/00/405729400.db2.gz GIQZEVWUHIYDMM-UHFFFAOYSA-N 0 3 307.357 2.078 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000450323371 405833949 /nfs/dbraw/zinc/83/39/49/405833949.db2.gz HKUBRXMCIUJSOH-KBXCAEBGSA-N 0 3 312.417 2.306 20 30 DEEDHN N#CCCC[C@@H](NCC(=O)Nc1ccncc1)c1ccccc1 ZINC000433017352 405851005 /nfs/dbraw/zinc/85/10/05/405851005.db2.gz BUGUWJQDAGBYJS-QGZVFWFLSA-N 0 3 308.385 2.467 20 30 DEEDHN C[C@H]1CNC(NN=C2CCCCC[C@@H]2NC(=O)OC(C)(C)C)=N1 ZINC000495236756 405851007 /nfs/dbraw/zinc/85/10/07/405851007.db2.gz IMLVABYOTKBKST-RYUDHWBXSA-N 0 3 323.441 2.137 20 30 DEEDHN CNC(=O)OC[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000495641182 405927354 /nfs/dbraw/zinc/92/73/54/405927354.db2.gz OSQWSFHFEHFAFT-HNNXBMFYSA-N 0 3 323.437 2.297 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCCC#N ZINC000495727979 405931290 /nfs/dbraw/zinc/93/12/90/405931290.db2.gz KTNDZLVLGXMJDU-KBPBESRZSA-N 0 3 311.426 2.294 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)C2CCCCC2)CC1 ZINC000531468110 405962455 /nfs/dbraw/zinc/96/24/55/405962455.db2.gz OGQWGQDOTVAIIS-QGZVFWFLSA-N 0 3 323.481 2.267 20 30 DEEDHN CC(C)OC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000531163514 405916595 /nfs/dbraw/zinc/91/65/95/405916595.db2.gz DDHRPZDHTZHWCG-INIZCTEOSA-N 0 3 318.417 2.187 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1conc1C)C(C)C ZINC000636573607 406013913 /nfs/dbraw/zinc/01/39/13/406013913.db2.gz BDAXCMJJAIRCNE-INIZCTEOSA-N 0 3 320.437 2.481 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C12CCC2 ZINC000459740696 406027806 /nfs/dbraw/zinc/02/78/06/406027806.db2.gz BODDJWBTNDXLCW-VBNZEHGJSA-N 0 3 313.401 2.432 20 30 DEEDHN CCNS(=O)(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000459645214 405993794 /nfs/dbraw/zinc/99/37/94/405993794.db2.gz KYXFMEVKNKJXQZ-HIFRSBDPSA-N 0 3 321.446 2.157 20 30 DEEDHN CCCCO[C@@H]1C[C@@H](NCC(=O)NC2(C#N)CCC2)C1(C)C ZINC000450972362 406006435 /nfs/dbraw/zinc/00/64/35/406006435.db2.gz QSHWSCGEIMKNOW-ZIAGYGMSSA-N 0 3 307.438 2.122 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634278688 406080678 /nfs/dbraw/zinc/08/06/78/406080678.db2.gz XJVYELNZUNEYEJ-FUHWJXTLSA-N 0 3 302.418 2.013 20 30 DEEDHN C=C(C)COCCNC[C@H](O)COc1cccc2[nH]ccc21 ZINC000566117965 406085518 /nfs/dbraw/zinc/08/55/18/406085518.db2.gz ZGCWBGOMSMHUCP-AWEZNQCLSA-N 0 3 304.390 2.090 20 30 DEEDHN CCO[C@@H]1C[C@@H]1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000567039872 406093104 /nfs/dbraw/zinc/09/31/04/406093104.db2.gz BSCMZCJSJIONIQ-JKSUJKDBSA-N 0 3 311.389 2.126 20 30 DEEDHN C=C(C)C(C)(C)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000634195163 406049792 /nfs/dbraw/zinc/04/97/92/406049792.db2.gz UODMXPLDAWBXSN-UHFFFAOYSA-N 0 3 302.422 2.374 20 30 DEEDHN CN(C)[C@H](CNC(=O)Nc1cccc(C#N)n1)Cc1ccccc1 ZINC000567827283 406145188 /nfs/dbraw/zinc/14/51/88/406145188.db2.gz FLHBAPLKDBZKKZ-INIZCTEOSA-N 0 3 323.400 2.248 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000568144036 406197510 /nfs/dbraw/zinc/19/75/10/406197510.db2.gz RYAVSBJPGDODIZ-QZTJIDSGSA-N 0 3 302.418 2.094 20 30 DEEDHN OCC1([C@@H](NCC#Cc2ccc(F)cc2)[C@@H]2CCCO2)CCC1 ZINC000639768027 406244159 /nfs/dbraw/zinc/24/41/59/406244159.db2.gz RABGRJXAVCACDS-ROUUACIJSA-N 0 3 317.404 2.477 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](n2ccnn2)CC1 ZINC000639814869 406267097 /nfs/dbraw/zinc/26/70/97/406267097.db2.gz JDCICZSAZQUJNF-HZPDHXFCSA-N 0 3 319.453 2.118 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc3c(c2)CCO3)CC1 ZINC000521238825 406339081 /nfs/dbraw/zinc/33/90/81/406339081.db2.gz OKDCLNYKVHNAOF-UHFFFAOYSA-N 0 3 315.417 2.071 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc(F)c2F)CC1 ZINC000633041028 406360332 /nfs/dbraw/zinc/36/03/32/406360332.db2.gz LGQSUTVTUAWWQI-UHFFFAOYSA-N 0 3 309.360 2.414 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000488914692 406360561 /nfs/dbraw/zinc/36/05/61/406360561.db2.gz UUROTHSJKDZRKS-HOTGVXAUSA-N 0 3 319.474 2.326 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cnc(C)s2)CC1 ZINC000633039265 406360642 /nfs/dbraw/zinc/36/06/42/406360642.db2.gz CFVDIQMGGHFOAZ-LLVKDONJSA-N 0 3 308.451 2.462 20 30 DEEDHN COCCN(Cc1ccc(OC)c(C#N)c1)[C@@H]1CCO[C@H]1C ZINC000489438582 406406635 /nfs/dbraw/zinc/40/66/35/406406635.db2.gz XNKULOOIBPHTST-XJKSGUPXSA-N 0 3 304.390 2.193 20 30 DEEDHN C=C(C)COCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000489722703 406427735 /nfs/dbraw/zinc/42/77/35/406427735.db2.gz GVZXQUPCRONZOK-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN COCC[C@@](C)(O)CN[C@H](CCC#N)c1ccc(OC)cc1 ZINC000571030422 406469542 /nfs/dbraw/zinc/46/95/42/406469542.db2.gz HAOTVAUBYJWCLO-IAGOWNOFSA-N 0 3 306.406 2.417 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000490574494 406471177 /nfs/dbraw/zinc/47/11/77/406471177.db2.gz ZGWXJMYKJBWYTE-UHFFFAOYSA-N 0 3 300.406 2.058 20 30 DEEDHN CCN(C[C@H]1CCCN1CC)C(=O)COc1ccc(C#N)cc1 ZINC000548126703 406483342 /nfs/dbraw/zinc/48/33/42/406483342.db2.gz FRBQKXZWDBWLDW-MRXNPFEDSA-N 0 3 315.417 2.270 20 30 DEEDHN C#CCN(Cc1c(C)nn(CC(=O)OCC)c1C)C1CCCC1 ZINC000490720796 406485776 /nfs/dbraw/zinc/48/57/76/406485776.db2.gz UABXLWRMOKUICX-UHFFFAOYSA-N 0 3 317.433 2.441 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000491097061 406527507 /nfs/dbraw/zinc/52/75/07/406527507.db2.gz YXHPBWJYIXXQSP-AWEZNQCLSA-N 0 3 306.793 2.283 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000491122158 406531699 /nfs/dbraw/zinc/53/16/99/406531699.db2.gz TZRCWZPOOKYIQX-BLLLJJGKSA-N 0 3 308.809 2.145 20 30 DEEDHN C#CCN(C)CCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000491209577 406544656 /nfs/dbraw/zinc/54/46/56/406544656.db2.gz IZCGAIULMJCBHZ-CYBMUJFWSA-N 0 3 308.397 2.449 20 30 DEEDHN C#C[C@H](CC)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000491219354 406547280 /nfs/dbraw/zinc/54/72/80/406547280.db2.gz DOSATYHIWQTBFC-CQSZACIVSA-N 0 3 303.406 2.469 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn([C@@H](C)CC)c2C)CC1 ZINC000491289121 406561206 /nfs/dbraw/zinc/56/12/06/406561206.db2.gz WTGHDDAYLADTJZ-ZDUSSCGKSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000491308682 406565176 /nfs/dbraw/zinc/56/51/76/406565176.db2.gz VYITYVBLYPXLMA-HZPDHXFCSA-N 0 3 315.417 2.377 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000491452352 406596256 /nfs/dbraw/zinc/59/62/56/406596256.db2.gz KWQAVDGHOAZNQD-UHFFFAOYSA-N 0 3 318.465 2.446 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CCc1nccs1)C(C)C ZINC000491569686 406625814 /nfs/dbraw/zinc/62/58/14/406625814.db2.gz XHZJCRAULMKAQS-UHFFFAOYSA-N 0 3 322.478 2.061 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000635530706 406576459 /nfs/dbraw/zinc/57/64/59/406576459.db2.gz JNKWOOXAADADBO-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C#C[C@@H](NC[C@H](O)COc1ccc(CCC(C)=O)cc1)C(C)C ZINC000491380985 406581198 /nfs/dbraw/zinc/58/11/98/406581198.db2.gz CANPJCMNIGEIOB-PKOBYXMFSA-N 0 3 317.429 2.195 20 30 DEEDHN C#CCN(C)CCCN[C@H](C)c1cncc(Br)c1 ZINC000491646322 406648757 /nfs/dbraw/zinc/64/87/57/406648757.db2.gz STNYKBMUMOEXBK-GFCCVEGCSA-N 0 3 310.239 2.450 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000491671438 406661622 /nfs/dbraw/zinc/66/16/22/406661622.db2.gz WUCLWYPEJKIOJB-GOEBONIOSA-N 0 3 301.365 2.036 20 30 DEEDHN C#CCN(C(=O)NCCCN1CCCO[C@H](C)C1)C1CCCC1 ZINC000491640915 406646048 /nfs/dbraw/zinc/64/60/48/406646048.db2.gz YXTQAILYMBPXRK-MRXNPFEDSA-N 0 3 321.465 2.075 20 30 DEEDHN COc1cc(CN[C@]2(CO)COc3ccccc3C2)ccc1C#N ZINC000527769365 406744047 /nfs/dbraw/zinc/74/40/47/406744047.db2.gz MIQZDXYZZHUSPW-LJQANCHMSA-N 0 3 324.380 2.023 20 30 DEEDHN C#C[C@H](CCC)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000491777785 406713968 /nfs/dbraw/zinc/71/39/68/406713968.db2.gz HXZRQBUSCHVPHB-MRXNPFEDSA-N 0 3 314.433 2.399 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2c1CCC2 ZINC000574273097 406781555 /nfs/dbraw/zinc/78/15/55/406781555.db2.gz ZRXAMJVNMBVBDU-NSHDSACASA-N 0 3 305.341 2.206 20 30 DEEDHN C=CCn1cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)nn1 ZINC000648249202 407145180 /nfs/dbraw/zinc/14/51/80/407145180.db2.gz GVSOFUQCOPAPOC-HNNXBMFYSA-N 0 3 323.400 2.089 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645416494 407276180 /nfs/dbraw/zinc/27/61/80/407276180.db2.gz ROKODPUVLVPLFM-HNNXBMFYSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CCCC[C@H]2CN(C)C)s1 ZINC000129403499 196046134 /nfs/dbraw/zinc/04/61/34/196046134.db2.gz HECVAHLPIDPAKJ-LBPRGKRZSA-N 0 3 308.451 2.297 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)s1 ZINC000131122049 196141811 /nfs/dbraw/zinc/14/18/11/196141811.db2.gz RCCAUXNDAPQUDL-AWEZNQCLSA-N 0 3 305.447 2.164 20 30 DEEDHN C=CCC[C@@H](NC(=O)NC[C@](C)(O)CN(C)C)c1ccccc1 ZINC000131710314 196192604 /nfs/dbraw/zinc/19/26/04/196192604.db2.gz AGVBYKDHHNAGKW-AEFFLSMTSA-N 0 3 319.449 2.306 20 30 DEEDHN Cc1cccnc1[C@H](NCCC(=O)N(C)CCC#N)C(C)C ZINC000131876742 196206751 /nfs/dbraw/zinc/20/67/51/196206751.db2.gz RGDDNGTULSFQCO-MRXNPFEDSA-N 0 3 302.422 2.439 20 30 DEEDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000131954731 196213343 /nfs/dbraw/zinc/21/33/43/196213343.db2.gz BDVBTNOJZWWIRE-DLBZAZTESA-N 0 3 310.401 2.237 20 30 DEEDHN COC[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000193678881 225165127 /nfs/dbraw/zinc/16/51/27/225165127.db2.gz GIBQKHJGHQPOMB-HNNXBMFYSA-N 0 3 323.824 2.379 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000332077753 226090769 /nfs/dbraw/zinc/09/07/69/226090769.db2.gz GZRQKTATYYOLQW-FRRDWIJNSA-N 0 3 301.350 2.168 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](CO)CC1 ZINC000341049480 226211059 /nfs/dbraw/zinc/21/10/59/226211059.db2.gz NLVOISNTSGMPQZ-IRXDYDNUSA-N 0 3 300.402 2.380 20 30 DEEDHN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C#N)c1C ZINC000345784849 226605897 /nfs/dbraw/zinc/60/58/97/226605897.db2.gz DBLPHQDMCNBAAP-BXUZGUMPSA-N 0 3 317.414 2.303 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000355965028 226750412 /nfs/dbraw/zinc/75/04/12/226750412.db2.gz LDEBPJMUEGZUAI-UHFFFAOYSA-N 0 3 316.405 2.394 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](O)c2ccccc2)CC1 ZINC000291013841 222072750 /nfs/dbraw/zinc/07/27/50/222072750.db2.gz NJYFTFPZJZTXPJ-PBHICJAKSA-N 0 3 317.433 2.058 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000291390016 222360592 /nfs/dbraw/zinc/36/05/92/222360592.db2.gz XJWAUWYNGMKHPH-WMLDXEAASA-N 0 3 317.433 2.397 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000291428414 222382919 /nfs/dbraw/zinc/38/29/19/222382919.db2.gz HKLVOLUDLSORKU-UHFFFAOYSA-N 0 3 315.417 2.273 20 30 DEEDHN COCCCN(C)CCNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000413165430 228286038 /nfs/dbraw/zinc/28/60/38/228286038.db2.gz HSTXSSGICFFHPM-UHFFFAOYSA-N 0 3 306.366 2.155 20 30 DEEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2ccsc2)n1 ZINC000413464493 228327546 /nfs/dbraw/zinc/32/75/46/228327546.db2.gz ZWMLHXYSNVDNMS-UHFFFAOYSA-N 0 3 301.419 2.286 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C1CC1 ZINC001099043523 782035293 /nfs/dbraw/zinc/03/52/93/782035293.db2.gz PBXSLHYIGHUDAP-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC000603115101 422445676 /nfs/dbraw/zinc/44/56/76/422445676.db2.gz AIZICUNNPYYKQG-UHFFFAOYSA-N 0 3 313.405 2.424 20 30 DEEDHN Cc1c(Cl)cnc(NC[C@H](O)CN2CCC(C)CC2)c1C#N ZINC000612077937 422480799 /nfs/dbraw/zinc/48/07/99/422480799.db2.gz YSYINJJOPHHGCY-ZDUSSCGKSA-N 0 3 322.840 2.420 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)c(N)n1 ZINC000583391642 424984156 /nfs/dbraw/zinc/98/41/56/424984156.db2.gz BOMWBHJSUOZXPX-RHSMWYFYSA-N 0 3 321.428 2.858 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC3(CC3(F)F)CC2)CC1 ZINC000650852726 425066994 /nfs/dbraw/zinc/06/69/94/425066994.db2.gz PBEBHXLAPGIIBI-UHFFFAOYSA-N 0 3 313.392 2.468 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000663578487 425190689 /nfs/dbraw/zinc/19/06/89/425190689.db2.gz CZSLBQXEDLXTQR-INIZCTEOSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC(C)CC1)[C@@H](C)COC ZINC000663849629 425250626 /nfs/dbraw/zinc/25/06/26/425250626.db2.gz UEMPJBPTLKPYSX-HOTGVXAUSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCN(C)CCCOC ZINC000660740944 425221147 /nfs/dbraw/zinc/22/11/47/425221147.db2.gz VMYGUVVIICDGAO-JKSUJKDBSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(O)CCC(C)(C)CC2)CC1 ZINC000664018839 425289850 /nfs/dbraw/zinc/28/98/50/425289850.db2.gz DIFCALRAQDVOKM-UHFFFAOYSA-N 0 3 323.481 2.267 20 30 DEEDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2nc(C#N)cs2)C1 ZINC000496452130 267122998 /nfs/dbraw/zinc/12/29/98/267122998.db2.gz IBRGUUBBWWHIRE-VXGBXAGGSA-N 0 3 322.434 2.361 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000664759325 425449920 /nfs/dbraw/zinc/44/99/20/425449920.db2.gz SZMBXNLKZJKKOX-IRXDYDNUSA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCC1(NCc2nnnn2CC2CCOCC2)CCCC1 ZINC000661851059 425513425 /nfs/dbraw/zinc/51/34/25/425513425.db2.gz OHTPPKYXBDNOBF-UHFFFAOYSA-N 0 3 305.426 2.078 20 30 DEEDHN C=CCN(C(=O)Nc1cccc2c1CCNC2)[C@@H](C)COC ZINC000659019213 425521086 /nfs/dbraw/zinc/52/10/86/425521086.db2.gz WZDNHLRPRCDBLS-ZDUSSCGKSA-N 0 3 303.406 2.387 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCCN1CCO ZINC000665385356 425559974 /nfs/dbraw/zinc/55/99/74/425559974.db2.gz BEHRKJKDYJWOHJ-ZACQAIPSSA-N 0 3 323.481 2.267 20 30 DEEDHN C=C[C@H](CO)NCCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000662165662 425579755 /nfs/dbraw/zinc/57/97/55/425579755.db2.gz KYARZYQCAHTSQM-CYBMUJFWSA-N 0 3 305.353 2.253 20 30 DEEDHN C=CCOc1cccc(NC(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c1 ZINC000662407270 425643156 /nfs/dbraw/zinc/64/31/56/425643156.db2.gz XGPPMXZRGACGER-LBPRGKRZSA-N 0 3 312.373 2.304 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H](CN)C(F)(F)F ZINC000655912172 425683348 /nfs/dbraw/zinc/68/33/48/425683348.db2.gz RORLFQBWMIUBPA-GFCCVEGCSA-N 0 3 301.312 2.274 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccsc1Cl ZINC000656533259 425787216 /nfs/dbraw/zinc/78/72/16/425787216.db2.gz SVFQXGSJARLVDQ-MRVPVSSYSA-N 0 3 307.824 2.007 20 30 DEEDHN CS[C@H]1CN(C(=O)C#Cc2ccccc2)C[C@@H]1N1CCCC1 ZINC000275228844 274184924 /nfs/dbraw/zinc/18/49/24/274184924.db2.gz DRXSBOBYGDDCGG-IRXDYDNUSA-N 0 3 314.454 2.076 20 30 DEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(C#N)CCOCC1 ZINC000267150598 274739803 /nfs/dbraw/zinc/73/98/03/274739803.db2.gz MEGLPBLADCXKKC-UHFFFAOYSA-N 0 3 301.390 2.316 20 30 DEEDHN CCOC(=O)[C@@H]1CN(CCC2(C#N)CCCCC2)CC12COC2 ZINC000411772446 276288886 /nfs/dbraw/zinc/28/88/86/276288886.db2.gz QPARPFTWFFBNDP-HNNXBMFYSA-N 0 3 320.433 2.362 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(N)cn1)C(C)C ZINC000449092900 276890991 /nfs/dbraw/zinc/89/09/91/276890991.db2.gz VRGHECWCOUWQCY-INIZCTEOSA-N 0 3 302.422 2.092 20 30 DEEDHN CN1CCC2(CCCN2C(=O)NCC#Cc2ccccc2)CC1 ZINC000352271604 277036947 /nfs/dbraw/zinc/03/69/47/277036947.db2.gz CQFDBJFSQUQBJH-UHFFFAOYSA-N 0 3 311.429 2.308 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329198318 277059904 /nfs/dbraw/zinc/05/99/04/277059904.db2.gz ANYHFMBPOGTGBT-YRGRVCCFSA-N 0 3 310.442 2.118 20 30 DEEDHN CC(C)[C@@H](CCO)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000273961119 277735904 /nfs/dbraw/zinc/73/59/04/277735904.db2.gz GNUWHHUYBDCNTJ-NVXWUHKLSA-N 0 3 317.433 2.318 20 30 DEEDHN C=CC[C@@H]1N(C(=O)C(=O)N[C@@H](CN)CC(C)C)CCCC1(C)C ZINC000419974599 277882382 /nfs/dbraw/zinc/88/23/82/277882382.db2.gz IPBAHZVAMFADEO-CABCVRRESA-N 0 3 323.481 2.069 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000352895638 279223392 /nfs/dbraw/zinc/22/33/92/279223392.db2.gz DWVNDIFWXKYMOI-OWCLPIDISA-N 0 3 309.454 2.010 20 30 DEEDHN CO[C@@H]1C[C@@H](NCC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000451492539 293901900 /nfs/dbraw/zinc/90/19/00/293901900.db2.gz JOZAMBDLTDAKCT-HZPDHXFCSA-N 0 3 315.417 2.336 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)[C@H]1C ZINC001088966525 782087520 /nfs/dbraw/zinc/08/75/20/782087520.db2.gz LWNLFCPELNXYCE-OLZOCXBDSA-N 0 3 303.406 2.188 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@H]1C ZINC001088970162 782090624 /nfs/dbraw/zinc/09/06/24/782090624.db2.gz KLVCMZZOBCCBMG-OCCSQVGLSA-N 0 3 304.438 2.476 20 30 DEEDHN CC(C)O[C@@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)C1(C)C ZINC000577280696 326355111 /nfs/dbraw/zinc/35/51/11/326355111.db2.gz GXJFVNYLERELOJ-HUUCEWRRSA-N 0 3 313.405 2.283 20 30 DEEDHN CSc1ccc([C@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000580065993 332925151 /nfs/dbraw/zinc/92/51/51/332925151.db2.gz HDCDNNVUAUEPBS-ZFWWWQNUSA-N 0 3 307.463 2.265 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@](C)(OC)C2CC2)CC1 ZINC000361498717 332949983 /nfs/dbraw/zinc/94/99/83/332949983.db2.gz MLKSHKFVRJJQAF-KRWDZBQOSA-N 0 3 309.454 2.141 20 30 DEEDHN O[C@@H](CNCC#Cc1ccccc1)COCc1ccccc1F ZINC000562987502 333013642 /nfs/dbraw/zinc/01/36/42/333013642.db2.gz XVVSYJYGCAAHBQ-SFHVURJKSA-N 0 3 313.372 2.345 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000497251818 333227420 /nfs/dbraw/zinc/22/74/20/333227420.db2.gz KOFZVULHAGXFQF-GUYCJALGSA-N 0 3 321.421 2.396 20 30 DEEDHN CCN(C[C@@H](C)O)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000352195459 336200799 /nfs/dbraw/zinc/20/07/99/336200799.db2.gz QYIASUQEMDDXAF-GYMHETDLSA-N 0 3 309.454 2.008 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccnc(C#N)n1 ZINC000398108691 337305633 /nfs/dbraw/zinc/30/56/33/337305633.db2.gz CGQKOIMNYLFOMU-ZBFHGGJFSA-N 0 3 307.401 2.093 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccnc(C#N)n1 ZINC000398108685 337305679 /nfs/dbraw/zinc/30/56/79/337305679.db2.gz CGQKOIMNYLFOMU-GOEBONIOSA-N 0 3 307.401 2.093 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2cccs2)cc1 ZINC000037749025 337367632 /nfs/dbraw/zinc/36/76/32/337367632.db2.gz LYAICWVFUAHUNL-OAHLLOKOSA-N 0 3 302.399 2.287 20 30 DEEDHN N#CCCn1cc(CNCC23CC(C2)CO3)c(-c2ccncc2)n1 ZINC000527791974 337764295 /nfs/dbraw/zinc/76/42/95/337764295.db2.gz WZYIKQYYMKWRGS-UHFFFAOYSA-N 0 3 323.400 2.127 20 30 DEEDHN CC(=NNC1CCN(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496506684 340006875 /nfs/dbraw/zinc/00/68/75/340006875.db2.gz UTZSPOOHINXLFY-CQSZACIVSA-N 0 3 324.469 2.303 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496758285 340012165 /nfs/dbraw/zinc/01/21/65/340012165.db2.gz NLTOUKNZHOTSHL-PBHICJAKSA-N 0 3 323.437 2.248 20 30 DEEDHN CC(C#N)C(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496994423 340017799 /nfs/dbraw/zinc/01/77/99/340017799.db2.gz NJFZOPLRJZDUNM-GFCCVEGCSA-N 0 3 307.394 2.148 20 30 DEEDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCOCCC#N ZINC000497079451 340019730 /nfs/dbraw/zinc/01/97/30/340019730.db2.gz IHAQKRNDYILXMK-UONOGXRCSA-N 0 3 311.426 2.152 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)NC(C)(C)C#N)[C@H](C(F)(F)F)C1 ZINC000550859125 341324917 /nfs/dbraw/zinc/32/49/17/341324917.db2.gz KAIMQUGPCURPMK-NXEZZACHSA-N 0 3 305.344 2.314 20 30 DEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000248993226 341391474 /nfs/dbraw/zinc/39/14/74/341391474.db2.gz ODEAPLRNLXKJLZ-WOPDTQHZSA-N 0 3 303.328 2.212 20 30 DEEDHN CN1CCCN(C(=O)[C@@H](N)CCCC#N)c2ccc(F)cc21 ZINC000576111411 341827379 /nfs/dbraw/zinc/82/73/79/341827379.db2.gz YFRRNCYMKNUZHB-ZDUSSCGKSA-N 0 3 304.369 2.020 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OCC)cc2)[C@H]1C ZINC001089014170 782112536 /nfs/dbraw/zinc/11/25/36/782112536.db2.gz IEHFVCUABKRTOZ-PBHICJAKSA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(Cl)CNC[C@@H](CCCC)NC(=O)[C@@H]1CCCCN1C ZINC001378444488 1152331199 /nfs/dbraw/zinc/33/11/99/1152331199.db2.gz NADRFJMXKVTGLE-CABCVRRESA-N 0 3 315.889 2.488 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)COCc1ccncc1 ZINC001329937797 1149020339 /nfs/dbraw/zinc/02/03/39/1149020339.db2.gz OHHOEELEXDACHS-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN C=C(Br)CNC[C@H](NC(=O)C1CC1)C(C)(C)C ZINC001369531711 1149022606 /nfs/dbraw/zinc/02/26/06/1149022606.db2.gz CRAZLBQSLGMQFQ-NSHDSACASA-N 0 3 303.244 2.426 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C1CN(Cc2ccccc2CC)C1 ZINC001329974068 1149025741 /nfs/dbraw/zinc/02/57/41/1149025741.db2.gz XXMDBWYQTJJWGD-HNNXBMFYSA-N 0 3 316.445 2.388 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)(C)C ZINC001369550845 1149036547 /nfs/dbraw/zinc/03/65/47/1149036547.db2.gz VSSURLARTFCHHR-YRGRVCCFSA-N 0 3 324.856 2.386 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2csc(C3CC3)n2)[C@H]1C ZINC001089072921 782150441 /nfs/dbraw/zinc/15/04/41/782150441.db2.gz BWSFANFVQSAFJJ-YPMHNXCESA-N 0 3 303.431 2.236 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001330047415 1149040917 /nfs/dbraw/zinc/04/09/17/1149040917.db2.gz LPUXGPUTHRRCSG-GJZGRUSLSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001330047413 1149041418 /nfs/dbraw/zinc/04/14/18/1149041418.db2.gz LPUXGPUTHRRCSG-CABCVRRESA-N 0 3 308.466 2.452 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378743801 1152432396 /nfs/dbraw/zinc/43/23/96/1152432396.db2.gz NYUMOHRNTGTVIX-BLLLJJGKSA-N 0 3 321.396 2.059 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H](F)Cc2ccccc2)C(C)(C)C1 ZINC001330260689 1149081946 /nfs/dbraw/zinc/08/19/46/1149081946.db2.gz DAJDMHJVWUCRJJ-IAGOWNOFSA-N 0 3 316.420 2.417 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC(C)C)cn2)[C@H]1C ZINC001089085678 782157973 /nfs/dbraw/zinc/15/79/73/782157973.db2.gz RMSFVMGBOPKNDY-ZBFHGGJFSA-N 0 3 315.417 2.085 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001378836478 1152462913 /nfs/dbraw/zinc/46/29/13/1152462913.db2.gz ZADLZELEOKOIKN-JOCQHMNTSA-N 0 3 324.856 2.394 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2ccncc2)C1 ZINC001378838951 1152463504 /nfs/dbraw/zinc/46/35/04/1152463504.db2.gz FZFCHCXUODOXPI-SHTZXODSSA-N 0 3 307.825 2.251 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]([C@@H](C)NCc2ccccc2F)C1 ZINC001330382417 1149104478 /nfs/dbraw/zinc/10/44/78/1149104478.db2.gz IKDMHIYECSFGRO-PBHICJAKSA-N 0 3 320.408 2.497 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001378876808 1152476216 /nfs/dbraw/zinc/47/62/16/1152476216.db2.gz SISYBOMOHQGQOY-QWHCGFSZSA-N 0 3 323.462 2.275 20 30 DEEDHN CC(=O)N[C@@H](C)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000360619541 534536934 /nfs/dbraw/zinc/53/69/34/534536934.db2.gz LOPGDADDTPHYCE-AWEZNQCLSA-N 0 3 315.417 2.174 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(C#N)c1C ZINC000296137484 534548668 /nfs/dbraw/zinc/54/86/68/534548668.db2.gz JJOHOZZLJSXJQH-KCPJHIHWSA-N 0 3 317.389 2.110 20 30 DEEDHN N#CC1CCC(CNC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418181159 534580717 /nfs/dbraw/zinc/58/07/17/534580717.db2.gz ZHCZGPWTBOPLFX-ZBCRRDGASA-N 0 3 300.406 2.316 20 30 DEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(C#N)cc1 ZINC000157216731 521751028 /nfs/dbraw/zinc/75/10/28/521751028.db2.gz PACJVOUIBSPELR-UHFFFAOYSA-N 0 3 323.396 2.468 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCCO)CCCCC1 ZINC000452341729 534588157 /nfs/dbraw/zinc/58/81/57/534588157.db2.gz DSAFNGNJJBKEBR-INIZCTEOSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCc1c(C)cc(C)cc1C ZINC000451601867 534606883 /nfs/dbraw/zinc/60/68/83/534606883.db2.gz BYVXDXUYMLTYTA-MSOLQXFVSA-N 0 3 316.445 2.204 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1ccc(OCCC)cc1 ZINC000451604738 534607991 /nfs/dbraw/zinc/60/79/91/534607991.db2.gz IKSKURODYFALKD-SJORKVTESA-N 0 3 318.417 2.025 20 30 DEEDHN N#CCCOCCN1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000339202976 534651540 /nfs/dbraw/zinc/65/15/40/534651540.db2.gz UKTFSFQFZKHCSG-ZBFHGGJFSA-N 0 3 308.809 2.278 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCCO[C@@H](CF)C1 ZINC000413866839 534740450 /nfs/dbraw/zinc/74/04/50/534740450.db2.gz GHQHKGULYGGJLS-HOTGVXAUSA-N 0 3 304.365 2.346 20 30 DEEDHN C=CCN(C[C@@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000338989590 526329764 /nfs/dbraw/zinc/32/97/64/526329764.db2.gz IJOMCTHHHQNSRA-YOEHRIQHSA-N 0 3 313.405 2.390 20 30 DEEDHN C=CCN(C[C@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000338989589 526331084 /nfs/dbraw/zinc/33/10/84/526331084.db2.gz IJOMCTHHHQNSRA-WMLDXEAASA-N 0 3 313.405 2.390 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000413236550 526437816 /nfs/dbraw/zinc/43/78/16/526437816.db2.gz KCTAFYJIZZTSGZ-GUYCJALGSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](Cc2ccccc2)OC)CC1 ZINC000294599743 526443323 /nfs/dbraw/zinc/44/33/23/526443323.db2.gz MAQMQGIJOLYNKL-QGZVFWFLSA-N 0 3 302.418 2.011 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3ccccc3S2)CC1 ZINC000336998750 526444273 /nfs/dbraw/zinc/44/42/73/526444273.db2.gz QRBFKMVGRHXBHW-MRXNPFEDSA-N 0 3 302.443 2.470 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H](C)CCN2)cc1 ZINC000422953325 526618230 /nfs/dbraw/zinc/61/82/30/526618230.db2.gz DYFQQHAHIBBUPD-DOMZBBRYSA-N 0 3 316.405 2.321 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370503246 526737271 /nfs/dbraw/zinc/73/72/71/526737271.db2.gz QHMVWOSVSUPDRJ-HNNXBMFYSA-N 0 3 318.417 2.325 20 30 DEEDHN C=CCOCCN(C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000339111524 526769731 /nfs/dbraw/zinc/76/97/31/526769731.db2.gz SHQUTCZEPWQUDN-ZIAGYGMSSA-N 0 3 313.442 2.190 20 30 DEEDHN C=CCOCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000339010276 526771512 /nfs/dbraw/zinc/77/15/12/526771512.db2.gz JBMDUGKXYKJRRR-INIZCTEOSA-N 0 3 302.418 2.331 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000294790625 526856708 /nfs/dbraw/zinc/85/67/08/526856708.db2.gz AVMXUDYVADRMRM-SJORKVTESA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCOc1cccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000374247703 526903389 /nfs/dbraw/zinc/90/33/89/526903389.db2.gz NXZWPLGJEVACOE-MRXNPFEDSA-N 0 3 312.417 2.353 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(O)cc2OCC)CC1 ZINC000190965709 526933526 /nfs/dbraw/zinc/93/35/26/526933526.db2.gz USLAAZSXTJIGLH-UHFFFAOYSA-N 0 3 302.374 2.075 20 30 DEEDHN CC(C)(CCC#N)CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000377170630 526994812 /nfs/dbraw/zinc/99/48/12/526994812.db2.gz XKQIPROGBCYQHW-HNNXBMFYSA-N 0 3 307.438 2.076 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000294708249 527072313 /nfs/dbraw/zinc/07/23/13/527072313.db2.gz LPCNNQWILPNPOJ-AWEZNQCLSA-N 0 3 320.458 2.115 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000372485292 527122532 /nfs/dbraw/zinc/12/25/32/527122532.db2.gz QSWOSJHINVGZHN-BZSNNMDCSA-N 0 3 314.429 2.326 20 30 DEEDHN C#CCOc1ccccc1CN1CCC2(CCN(C)C2=O)CC1 ZINC000370083077 527126621 /nfs/dbraw/zinc/12/66/21/527126621.db2.gz PDXWIAHNYWCAGZ-UHFFFAOYSA-N 0 3 312.413 2.143 20 30 DEEDHN C=CCCCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000376309254 527153476 /nfs/dbraw/zinc/15/34/76/527153476.db2.gz DEZFQGIBNAOSCW-IRXDYDNUSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000341802882 527171348 /nfs/dbraw/zinc/17/13/48/527171348.db2.gz SJWJTSFLQTYTRJ-RDJZCZTQSA-N 0 3 319.449 2.082 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2CCN[C@H](C)[C@H]2C)c(OC)c1 ZINC000262795017 527248566 /nfs/dbraw/zinc/24/85/66/527248566.db2.gz OCZNVDZLNCZPGQ-ZIAGYGMSSA-N 0 3 318.417 2.011 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370503639 527395207 /nfs/dbraw/zinc/39/52/07/527395207.db2.gz WBOYQIWBQPPLDE-CABCVRRESA-N 0 3 318.417 2.323 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294998248 527546190 /nfs/dbraw/zinc/54/61/90/527546190.db2.gz UYCJHFBPJMJGRH-DOTOQJQBSA-N 0 3 322.474 2.455 20 30 DEEDHN CCOC(=O)[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000337137914 528063716 /nfs/dbraw/zinc/06/37/16/528063716.db2.gz QCEBLEPFQOPDHR-HNNXBMFYSA-N 0 3 308.422 2.362 20 30 DEEDHN CCCN(CCN1CCCCCC1)S(=O)(=O)CCCC#N ZINC000341892713 528085316 /nfs/dbraw/zinc/08/53/16/528085316.db2.gz UXPSMNDBAJSBPH-UHFFFAOYSA-N 0 3 315.483 2.208 20 30 DEEDHN CCCCCCCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000371512596 528116811 /nfs/dbraw/zinc/11/68/11/528116811.db2.gz UWYAUNHDLQXKMX-MRXNPFEDSA-N 0 3 323.481 2.288 20 30 DEEDHN CC(C)N1CCCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000293015800 529007987 /nfs/dbraw/zinc/00/79/87/529007987.db2.gz KUZBTDQBFHDYCG-UHFFFAOYSA-N 0 3 314.433 2.181 20 30 DEEDHN CC(C)N1CCCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000264716953 529008288 /nfs/dbraw/zinc/00/82/88/529008288.db2.gz XCJXDTCDFVGYQX-UHFFFAOYSA-N 0 3 315.417 2.074 20 30 DEEDHN CC(C)N1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1=O ZINC000330913731 529057565 /nfs/dbraw/zinc/05/75/65/529057565.db2.gz RYEHWLPBZUAXQR-OAHLLOKOSA-N 0 3 303.406 2.062 20 30 DEEDHN C=CCCC(=O)NC[C@@]1(C)CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001358848305 1152503126 /nfs/dbraw/zinc/50/31/26/1152503126.db2.gz VEQMSHJSMXWWPE-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)C(C)C ZINC001378961404 1152507959 /nfs/dbraw/zinc/50/79/59/1152507959.db2.gz FLKTWOYNGXBCHU-HNNXBMFYSA-N 0 3 324.856 2.243 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001168426036 782168778 /nfs/dbraw/zinc/16/87/78/782168778.db2.gz JJFYTLGGSYRMBT-ZDUSSCGKSA-N 0 3 300.830 2.206 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSC(F)F)cc1 ZINC000835066380 649874420 /nfs/dbraw/zinc/87/44/20/649874420.db2.gz ZUSKJWCVAXAXTL-SNVBAGLBSA-N 0 3 314.313 2.298 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001368722455 1148615958 /nfs/dbraw/zinc/61/59/58/1148615958.db2.gz ZPVBSPGJDHIQCF-YPMHNXCESA-N 0 3 324.856 2.316 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccnc(OC)c2)C1 ZINC001327903481 1148673192 /nfs/dbraw/zinc/67/31/92/1148673192.db2.gz OFRUJGGUEPUKPF-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC000978623675 634378785 /nfs/dbraw/zinc/37/87/85/634378785.db2.gz QWDBXEIUOJAORJ-IYXGVVJKSA-N 0 3 309.413 2.008 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCOCC2)C1 ZINC000998704012 634383185 /nfs/dbraw/zinc/38/31/85/634383185.db2.gz DUPKBOYAYXDKIY-HSBZDZAISA-N 0 3 300.830 2.135 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)cc1C ZINC001379648088 1152663857 /nfs/dbraw/zinc/66/38/57/1152663857.db2.gz ZVKABPNKUTUVFU-UONOGXRCSA-N 0 3 303.406 2.100 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCCOC1 ZINC000819745953 607173575 /nfs/dbraw/zinc/17/35/75/607173575.db2.gz WNIRRCBDVNCSCG-HNNXBMFYSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCCOC1 ZINC000819745953 607173576 /nfs/dbraw/zinc/17/35/76/607173576.db2.gz WNIRRCBDVNCSCG-HNNXBMFYSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCCOC1 ZINC000819745953 607173577 /nfs/dbraw/zinc/17/35/77/607173577.db2.gz WNIRRCBDVNCSCG-HNNXBMFYSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCCOC1 ZINC000819745953 607173578 /nfs/dbraw/zinc/17/35/78/607173578.db2.gz WNIRRCBDVNCSCG-HNNXBMFYSA-N 0 3 313.405 2.281 20 30 DEEDHN CCc1nc(C)c(CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N)o1 ZINC001381473740 1153079374 /nfs/dbraw/zinc/07/93/74/1153079374.db2.gz UFYGDMZYCMKWAG-GFCCVEGCSA-N 0 3 320.437 2.279 20 30 DEEDHN CCc1noc(C)c1CNC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001382527822 1153463280 /nfs/dbraw/zinc/46/32/80/1153463280.db2.gz RRMODAAXMXBRKL-NHYWBVRUSA-N 0 3 320.437 2.326 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(COC)cs2)C1 ZINC001023468422 625284050 /nfs/dbraw/zinc/28/40/50/625284050.db2.gz SZHKTQBPMNMSQR-AWEZNQCLSA-N 0 3 320.458 2.360 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(OC)no1 ZINC001025224071 625285012 /nfs/dbraw/zinc/28/50/12/625285012.db2.gz LDLFOOLAXADRCG-KGLIPLIRSA-N 0 3 319.405 2.328 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC001023475587 625287489 /nfs/dbraw/zinc/28/74/89/625287489.db2.gz BALFYUICDDNIHD-HNNXBMFYSA-N 0 3 300.402 2.079 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnc3ccc(C)cn23)C1 ZINC001023485663 625292131 /nfs/dbraw/zinc/29/21/31/625292131.db2.gz CCTDMQBZGPCNPR-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001025233517 625295200 /nfs/dbraw/zinc/29/52/00/625295200.db2.gz YSWHJQLPFDYPAW-JKSUJKDBSA-N 0 3 314.433 2.201 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001025258805 625308589 /nfs/dbraw/zinc/30/85/89/625308589.db2.gz JBAWRMSNAFIVJU-IRXDYDNUSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2oc(CCC)nc2C)C1 ZINC001027649513 634385456 /nfs/dbraw/zinc/38/54/56/634385456.db2.gz NFXQNVJFAJBCRT-AWEZNQCLSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccco1 ZINC001025279469 625322926 /nfs/dbraw/zinc/32/29/26/625322926.db2.gz CBLMMQNROVATGN-DLBZAZTESA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(OC)cc2C)C1 ZINC001023569631 625329660 /nfs/dbraw/zinc/32/96/60/625329660.db2.gz OEOHBKQPAOYSPI-OAHLLOKOSA-N 0 3 300.402 2.079 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001023638012 625367401 /nfs/dbraw/zinc/36/74/01/625367401.db2.gz WYSWSHDBIVPZRF-CQSZACIVSA-N 0 3 303.406 2.181 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)n2C)C1 ZINC001025345329 625371807 /nfs/dbraw/zinc/37/18/07/625371807.db2.gz IWGSMVKXICAKFF-HOTGVXAUSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001023662453 625375919 /nfs/dbraw/zinc/37/59/19/625375919.db2.gz LOWIXUFZGIPVHW-CYBMUJFWSA-N 0 3 320.820 2.424 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001023676234 625384113 /nfs/dbraw/zinc/38/41/13/625384113.db2.gz CHMYVCOJUWYNDP-AWEZNQCLSA-N 0 3 303.406 2.255 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3ccncc32)C1 ZINC001023680241 625385347 /nfs/dbraw/zinc/38/53/47/625385347.db2.gz VNCGHSYARDTVDY-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CC[C@H](N)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC001574963441 1069309832 /nfs/dbraw/zinc/30/98/32/1069309832.db2.gz UQEQGFRZVAVPCL-MFKMUULPSA-N 0 3 309.207 2.367 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(F)nc2)C1 ZINC001025369768 625387544 /nfs/dbraw/zinc/38/75/44/625387544.db2.gz UACRRBILYIWWFH-ZFWWWQNUSA-N 0 3 303.381 2.074 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001023691901 625390173 /nfs/dbraw/zinc/39/01/73/625390173.db2.gz QPNBFZCXZCHWCM-OAHLLOKOSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3c(C)cccn3c2)C1 ZINC001023699457 625393601 /nfs/dbraw/zinc/39/36/01/625393601.db2.gz FHFVPOKYGATZTP-MRXNPFEDSA-N 0 3 309.413 2.323 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)cc2OC)C1 ZINC001023712615 625397975 /nfs/dbraw/zinc/39/79/75/625397975.db2.gz NAKVIXAOIAROKQ-HNNXBMFYSA-N 0 3 300.402 2.079 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3[nH]ccc3s2)C1 ZINC001023724695 625401682 /nfs/dbraw/zinc/40/16/82/625401682.db2.gz YEEJPCORWCOUEF-GFCCVEGCSA-N 0 3 301.415 2.304 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001025419628 625419135 /nfs/dbraw/zinc/41/91/35/625419135.db2.gz NLUBLFWJJCZYCW-LSDHHAIUSA-N 0 3 316.449 2.072 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nc(C)c(C)s2)C1 ZINC001023756598 625424402 /nfs/dbraw/zinc/42/44/02/625424402.db2.gz XYNHJAIERJZZCN-CQSZACIVSA-N 0 3 305.447 2.225 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(F)cncc2F)C1 ZINC001025430475 625430436 /nfs/dbraw/zinc/43/04/36/625430436.db2.gz FJKYMZJOPZHVJK-OLZOCXBDSA-N 0 3 321.371 2.213 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2csc(CC(C)C)n2)C1 ZINC001023774835 625434461 /nfs/dbraw/zinc/43/44/61/625434461.db2.gz PKAOTRZFXCYQAB-CQSZACIVSA-N 0 3 319.474 2.417 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001025445827 625442328 /nfs/dbraw/zinc/44/23/28/625442328.db2.gz ASWFBDBIZJYWKI-HOCLYGCPSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccsc2COC)C1 ZINC001025457437 625449294 /nfs/dbraw/zinc/44/92/94/625449294.db2.gz CFIBSNIWYOAHBM-UONOGXRCSA-N 0 3 320.458 2.358 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc3ccccn23)C1 ZINC001025464945 625458342 /nfs/dbraw/zinc/45/83/42/625458342.db2.gz SGCHJUKJGIPANH-HOTGVXAUSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ncc(Cl)s2)C1 ZINC001025479341 625470676 /nfs/dbraw/zinc/47/06/76/625470676.db2.gz XJYYOUDYRNGQOE-GHMZBOCLSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(C)C)on2)C1 ZINC001025494699 625483081 /nfs/dbraw/zinc/48/30/81/625483081.db2.gz AHNDNQRUGWOMIC-ZIAGYGMSSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C3CC3)on2)C1 ZINC001025495936 625485909 /nfs/dbraw/zinc/48/59/09/625485909.db2.gz LJTLDINWYLFPHN-ZFWWWQNUSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC001025515731 625495406 /nfs/dbraw/zinc/49/54/06/625495406.db2.gz MUCISGZLPHDBOA-GJZGRUSLSA-N 0 3 301.434 2.431 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ocnc2C2CC2)C1 ZINC001025527797 625504424 /nfs/dbraw/zinc/50/44/24/625504424.db2.gz MAZFHQHGNCYOCL-HIFRSBDPSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2noc3c2CCCC3)C1 ZINC001025541729 625525327 /nfs/dbraw/zinc/52/53/27/625525327.db2.gz CQWTUGINRJGVGZ-KGLIPLIRSA-N 0 3 315.417 2.017 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@]2(C)CN3CCC2CC3)cc1 ZINC000892767724 625569781 /nfs/dbraw/zinc/56/97/81/625569781.db2.gz ZLVQLOGZWAPRPD-LJQANCHMSA-N 0 3 314.429 2.394 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnn(CC)c2C)C1 ZINC001025573403 625576800 /nfs/dbraw/zinc/57/68/00/625576800.db2.gz LLVAQTWHVITWBC-HOCLYGCPSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC000969112075 622564863 /nfs/dbraw/zinc/56/48/63/622564863.db2.gz XGDGJXQKQMTAEL-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH]cnc32)C1 ZINC001025574193 625577839 /nfs/dbraw/zinc/57/78/39/625577839.db2.gz RFDFHZPCMGSVHQ-CABCVRRESA-N 0 3 324.428 2.417 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNCc2cnns2)C1 ZINC001024090277 625582956 /nfs/dbraw/zinc/58/29/56/625582956.db2.gz GRSUFVOVLMGSMA-ZDUSSCGKSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC000969668107 622875439 /nfs/dbraw/zinc/87/54/39/622875439.db2.gz PFRWSADAPGWYLO-LBPRGKRZSA-N 0 3 315.417 2.009 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccnn2C2CCC2)C1 ZINC000969678151 622882338 /nfs/dbraw/zinc/88/23/38/622882338.db2.gz UMDPNPZNVOFHOB-CYBMUJFWSA-N 0 3 302.422 2.234 20 30 DEEDHN C#C[C@H](C)NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000187733452 622904891 /nfs/dbraw/zinc/90/48/91/622904891.db2.gz CIMKISMMWBHCIZ-DOTOQJQBSA-N 0 3 301.434 2.464 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000969813257 622929547 /nfs/dbraw/zinc/92/95/47/622929547.db2.gz NTCIIHFFVMLHOU-HNNXBMFYSA-N 0 3 309.413 2.321 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001025591670 625610689 /nfs/dbraw/zinc/61/06/89/625610689.db2.gz GBGRHJYHIBYHQM-HOCLYGCPSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CNCc2cnns2)C1 ZINC001024137985 625618475 /nfs/dbraw/zinc/61/84/75/625618475.db2.gz XAIKXEBXAPSRJW-CJNGLKHVSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3cccnc32)C1 ZINC000970070809 623091954 /nfs/dbraw/zinc/09/19/54/623091954.db2.gz KUCMZEKCWKRGGR-CQSZACIVSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001020864473 623163117 /nfs/dbraw/zinc/16/31/17/623163117.db2.gz CAEKFBBFNKFPRW-DLOVCJGASA-N 0 3 322.840 2.137 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001020884623 623174665 /nfs/dbraw/zinc/17/46/65/623174665.db2.gz FJNLASWUQRNOPL-SHTZXODSSA-N 0 3 319.836 2.282 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001021042730 623305122 /nfs/dbraw/zinc/30/51/22/623305122.db2.gz NPIUOVLTZGRZHC-JOCQHMNTSA-N 0 3 322.792 2.061 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cn3ccccc3n2)C1 ZINC001025611746 625640676 /nfs/dbraw/zinc/64/06/76/625640676.db2.gz PBSHCDIOBZFLFI-CVEARBPZSA-N 0 3 324.428 2.188 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cncc(OC(C)C)c2)C1 ZINC000970269198 623368940 /nfs/dbraw/zinc/36/89/40/623368940.db2.gz UMRJXMTYOZVCGI-AWEZNQCLSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001021148632 623384981 /nfs/dbraw/zinc/38/49/81/623384981.db2.gz KWAUDDKKBYWXPH-UBHSHLNASA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000970465323 623464940 /nfs/dbraw/zinc/46/49/40/623464940.db2.gz RYBWZWGUDOMZRU-LBPRGKRZSA-N 0 3 314.389 2.296 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000970510045 623490182 /nfs/dbraw/zinc/49/01/82/623490182.db2.gz WZZSNAYCYXLKKN-CQSZACIVSA-N 0 3 322.412 2.150 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC000970540034 623528025 /nfs/dbraw/zinc/52/80/25/623528025.db2.gz JRFJWOLITXSZHN-STQMWFEESA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000970592710 623564078 /nfs/dbraw/zinc/56/40/78/623564078.db2.gz DKALICHUTQKQSK-KBPBESRZSA-N 0 3 312.413 2.083 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cnoc2-c2ccccc2)C1 ZINC000970669688 623605812 /nfs/dbraw/zinc/60/58/12/623605812.db2.gz WLXCGFJAAZBBPA-CQSZACIVSA-N 0 3 323.396 2.415 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CC3(C2)CCOCC3)C1 ZINC000970738337 623652345 /nfs/dbraw/zinc/65/23/45/623652345.db2.gz VFNCSCVZPSATKX-CQSZACIVSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3[nH]ccc3s2)C1 ZINC000970803910 623690660 /nfs/dbraw/zinc/69/06/60/623690660.db2.gz OUFPQKXEPVBGGZ-NSHDSACASA-N 0 3 301.415 2.303 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cncc(F)c2)C1 ZINC001021556739 623749451 /nfs/dbraw/zinc/74/94/51/623749451.db2.gz AYOCGPQVHLHSRF-RHSMWYFYSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC000970872586 623754527 /nfs/dbraw/zinc/75/45/27/623754527.db2.gz CENDHHSRFTUHPS-VMBOVVBDSA-N 0 3 300.377 2.143 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(C)coc2C)C1 ZINC001021579100 623782587 /nfs/dbraw/zinc/78/25/87/623782587.db2.gz RTAZEPPNFKCPNK-JKSUJKDBSA-N 0 3 300.402 2.456 20 30 DEEDHN COc1ccc(CN(C)[C@@H]2CCN(C(=O)C3CC3)C2)cc1C#N ZINC000970926225 623796659 /nfs/dbraw/zinc/79/66/59/623796659.db2.gz YTCHBXYSOWYNPP-MRXNPFEDSA-N 0 3 313.401 2.010 20 30 DEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H](CC#N)C(F)(F)F ZINC000932896754 623820354 /nfs/dbraw/zinc/82/03/54/623820354.db2.gz 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C#CCOc1ccc(C(=O)N[C@H]2C[C@@H](NCC(=C)Cl)C2)cc1 ZINC001022822558 624940610 /nfs/dbraw/zinc/94/06/10/624940610.db2.gz WINJYZILBMAZFC-GASCZTMLSA-N 0 3 318.804 2.302 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC45CC5)[C@@H]3C2)c1 ZINC000978802081 634424148 /nfs/dbraw/zinc/42/41/48/634424148.db2.gz FNOQFIAKGDZZOF-FJIDUMEYSA-N 0 3 321.424 2.152 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001022851387 625026871 /nfs/dbraw/zinc/02/68/71/625026871.db2.gz JNWKVJQTBGCAAB-TXEJJXNPSA-N 0 3 300.189 2.338 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001024749502 625032260 /nfs/dbraw/zinc/03/22/60/625032260.db2.gz YKBYABPRMWOJHZ-CQSZACIVSA-N 0 3 303.406 2.406 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCCCN1CC#N ZINC001024751190 625034114 /nfs/dbraw/zinc/03/41/14/625034114.db2.gz CEMPOZLDLWIRIT-SJORKVTESA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001024756642 625039275 /nfs/dbraw/zinc/03/92/75/625039275.db2.gz 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C=CCN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C[C@@H]1C ZINC000947542985 625170909 /nfs/dbraw/zinc/17/09/09/625170909.db2.gz PLESUILWXMLTGU-ZFWWWQNUSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2noc3ccc(F)cc32)C1 ZINC000972528726 625187523 /nfs/dbraw/zinc/18/75/23/625187523.db2.gz BHFCNDIFZICNSA-ZDUSSCGKSA-N 0 3 317.364 2.228 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000972556063 625241606 /nfs/dbraw/zinc/24/16/06/625241606.db2.gz UOYMGGFPZOIPQP-GDBMZVCRSA-N 0 3 300.402 2.271 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2csc([C@H](C)OC)n2)C1 ZINC001023371410 625242656 /nfs/dbraw/zinc/24/26/56/625242656.db2.gz YXNZNDXJQFGQHW-QWHCGFSZSA-N 0 3 323.462 2.478 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001023377464 625244305 /nfs/dbraw/zinc/24/43/05/625244305.db2.gz MQUAIRXWVQGHJU-BZSNNMDCSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001007458543 625247736 /nfs/dbraw/zinc/24/77/36/625247736.db2.gz 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C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001024671667 625959154 /nfs/dbraw/zinc/95/91/54/625959154.db2.gz IGNTXAPFFBPORU-CQSZACIVSA-N 0 3 302.422 2.448 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000979001870 634474811 /nfs/dbraw/zinc/47/48/11/634474811.db2.gz DLECNIMBSLBPKL-PHZGNYQRSA-N 0 3 302.805 2.271 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000979022412 634479093 /nfs/dbraw/zinc/47/90/93/634479093.db2.gz UYWBVUCZSIFBIN-XCDZQEORSA-N 0 3 308.425 2.107 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999128215 634483307 /nfs/dbraw/zinc/48/33/07/634483307.db2.gz LJDBWBDXJXJEFA-HNNXBMFYSA-N 0 3 317.458 2.254 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC000999127542 634483666 /nfs/dbraw/zinc/48/36/66/634483666.db2.gz IBZBIYUCMSXKPV-CQSZACIVSA-N 0 3 313.426 2.114 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cncc4ccccc43)[C@@H]2C1 ZINC000979087673 634496595 /nfs/dbraw/zinc/49/65/95/634496595.db2.gz KSKJWEIOGUQOEP-LUPIEILUSA-N 0 3 319.408 2.166 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000999136467 634496814 /nfs/dbraw/zinc/49/68/14/634496814.db2.gz JSZUOSLKUUWKAP-HKKVPVCXSA-N 0 3 312.841 2.133 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C2CC(NCc3ccccn3)C2)cc1 ZINC000999211669 634520178 /nfs/dbraw/zinc/52/01/78/634520178.db2.gz CYCAEKUXJZNVTI-UHFFFAOYSA-N 0 3 319.408 2.456 20 30 DEEDHN C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979506650 634667178 /nfs/dbraw/zinc/66/71/78/634667178.db2.gz SGOCXAUOTBWHDK-SOUVJXGZSA-N 0 3 300.402 2.409 20 30 DEEDHN C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979506650 634667180 /nfs/dbraw/zinc/66/71/80/634667180.db2.gz SGOCXAUOTBWHDK-SOUVJXGZSA-N 0 3 300.402 2.409 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccon3)C[C@H]2C1 ZINC000979538689 634674780 /nfs/dbraw/zinc/67/47/80/634674780.db2.gz MBWCLJLEINKLRN-AVGNSLFASA-N 0 3 309.797 2.257 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@@H](NCc3cncn3C)C2)CC1 ZINC001000076584 634733211 /nfs/dbraw/zinc/73/32/11/634733211.db2.gz GQBKZISZMAGIKJ-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ncoc3CC)CC2)CC1 ZINC001000112977 634749891 /nfs/dbraw/zinc/74/98/91/634749891.db2.gz ILOXSVOWXSMEEA-UHFFFAOYSA-N 0 3 315.417 2.235 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCCOCC3)CC2)CC1 ZINC001000142981 634765168 /nfs/dbraw/zinc/76/51/68/634765168.db2.gz LDECYUOJRVOPLN-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000836327458 650079770 /nfs/dbraw/zinc/07/97/70/650079770.db2.gz DNOYJWWQCKRNKB-INIZCTEOSA-N 0 3 317.433 2.017 20 30 DEEDHN C#Cc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000836427412 650090494 /nfs/dbraw/zinc/09/04/94/650090494.db2.gz DHKMDQPCMCKVDZ-GOSISDBHSA-N 0 3 311.429 2.484 20 30 DEEDHN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001024692571 632924097 /nfs/dbraw/zinc/92/40/97/632924097.db2.gz OYFHFPNRIZETPJ-ROUUACIJSA-N 0 3 319.493 2.243 20 30 DEEDHN Cc1cccnc1CN[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995800076 633119084 /nfs/dbraw/zinc/11/90/84/633119084.db2.gz UTSHEGLQMQANQS-KRWDZBQOSA-N 0 3 311.429 2.130 20 30 DEEDHN Cc1ncccc1CN[C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995790713 633122520 /nfs/dbraw/zinc/12/25/20/633122520.db2.gz DCSBHYIBDRLFCZ-QGZVFWFLSA-N 0 3 311.429 2.130 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC000996133864 633194166 /nfs/dbraw/zinc/19/41/66/633194166.db2.gz JXQPSKIUXRBYAG-CYBMUJFWSA-N 0 3 319.453 2.042 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@H](C)OC)CC1(C)C ZINC000974678521 633229741 /nfs/dbraw/zinc/22/97/41/633229741.db2.gz BXVGPWOTBGLBIF-GOEBONIOSA-N 0 3 319.449 2.149 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001026992574 633338835 /nfs/dbraw/zinc/33/88/35/633338835.db2.gz PILBZJAQJIUDOD-OLZOCXBDSA-N 0 3 319.453 2.078 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c(c2)CCO3)C(C)(C)C1 ZINC000974888124 633356871 /nfs/dbraw/zinc/35/68/71/633356871.db2.gz BFFNZKZEAQUPTQ-KRWDZBQOSA-N 0 3 314.429 2.177 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2c(F)cccc2F)C(C)(C)C1 ZINC000974980988 633385617 /nfs/dbraw/zinc/38/56/17/633385617.db2.gz YEZGKBJQROHTFQ-INIZCTEOSA-N 0 3 320.383 2.357 20 30 DEEDHN Cc1cc(OCC(=O)C(C#N)C(=O)N2CCCC2)ccc1Cl ZINC000124681626 633408556 /nfs/dbraw/zinc/40/85/56/633408556.db2.gz LMOXGJQJGKDRKZ-ZDUSSCGKSA-N 0 3 320.776 2.359 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccncc2Cl)C(C)(C)C1 ZINC000975100330 633418621 /nfs/dbraw/zinc/41/86/21/633418621.db2.gz VOTVOWPELJJFHT-AWEZNQCLSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nn2CC)C(C)(C)C1 ZINC000975101516 633419037 /nfs/dbraw/zinc/41/90/37/633419037.db2.gz AETDHRFWYLKQKN-OAHLLOKOSA-N 0 3 304.438 2.228 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2csnc2OC)CC1 ZINC000996876377 633485937 /nfs/dbraw/zinc/48/59/37/633485937.db2.gz MBUKMWPNJLQBIX-UHFFFAOYSA-N 0 3 323.462 2.445 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N[C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000996877972 633487814 /nfs/dbraw/zinc/48/78/14/633487814.db2.gz QZLHKTTWBTVIFG-GFCCVEGCSA-N 0 3 319.453 2.221 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn(C)c2C(F)F)C1 ZINC001009150183 633513010 /nfs/dbraw/zinc/51/30/10/633513010.db2.gz BRWMPULEYUXYBD-LLVKDONJSA-N 0 3 312.364 2.128 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3conc3C)CC2)C1 ZINC000996973439 633550031 /nfs/dbraw/zinc/55/00/31/633550031.db2.gz HGCJGZKWIPZABC-UHFFFAOYSA-N 0 3 303.406 2.420 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000997039992 633562983 /nfs/dbraw/zinc/56/29/83/633562983.db2.gz CHQJLPDXKXYFAZ-KRWDZBQOSA-N 0 3 309.413 2.439 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c(F)cncc2F)CC1 ZINC000997111514 633587906 /nfs/dbraw/zinc/58/79/06/633587906.db2.gz PZLRQORCTIUDKG-GFCCVEGCSA-N 0 3 321.371 2.213 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccnn2C(F)F)CC1 ZINC000997113156 633590689 /nfs/dbraw/zinc/59/06/89/633590689.db2.gz YIWZRULYHVTTKA-GFCCVEGCSA-N 0 3 324.375 2.132 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027311082 633628529 /nfs/dbraw/zinc/62/85/29/633628529.db2.gz HRXRLAYNMDBHJP-INIZCTEOSA-N 0 3 323.400 2.018 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC001027316995 633642390 /nfs/dbraw/zinc/64/23/90/633642390.db2.gz LPDCJXLTVLCAHR-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccn3ccccc23)CC1 ZINC000997217992 633678987 /nfs/dbraw/zinc/67/89/87/633678987.db2.gz QHINGUQFLGAGKM-OAHLLOKOSA-N 0 3 309.413 2.403 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000997222369 633680065 /nfs/dbraw/zinc/68/00/65/633680065.db2.gz XKRMCWAVTATIOD-SUMDDJOVSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnn(CCC)c2)CC1 ZINC000997334212 633703010 /nfs/dbraw/zinc/70/30/10/633703010.db2.gz UPSIKQSEVAKVQU-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cncc(Cl)c2)CC1 ZINC000997345721 633709322 /nfs/dbraw/zinc/70/93/22/633709322.db2.gz SDWRDJYQHKCJPY-GFCCVEGCSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001027422454 633761139 /nfs/dbraw/zinc/76/11/39/633761139.db2.gz HWAJHTIJEZZILO-GDBMZVCRSA-N 0 3 318.392 2.149 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001009627773 633761888 /nfs/dbraw/zinc/76/18/88/633761888.db2.gz MMKAZHROTZPXDM-IAGOWNOFSA-N 0 3 301.434 2.270 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001027450281 633805111 /nfs/dbraw/zinc/80/51/11/633805111.db2.gz MOHPTGUEDMKSCQ-OAHLLOKOSA-N 0 3 311.385 2.306 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc3cccnc3c2)C1 ZINC001027460317 633828809 /nfs/dbraw/zinc/82/88/09/633828809.db2.gz IMRNDBGMSKWGHA-GOSISDBHSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnc3ccccc32)C1 ZINC001027482405 633866393 /nfs/dbraw/zinc/86/63/93/633866393.db2.gz XLSBQQVEVRBCEV-HNNXBMFYSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cc(C)ccc2OC)C1 ZINC001027480606 633870071 /nfs/dbraw/zinc/87/00/71/633870071.db2.gz BNFVCIAYPQGNNW-QGZVFWFLSA-N 0 3 314.429 2.102 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001027489191 633875628 /nfs/dbraw/zinc/87/56/28/633875628.db2.gz OXSWNJNSUYRYKD-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001027494802 633888068 /nfs/dbraw/zinc/88/80/68/633888068.db2.gz KLIBEBDLMSGLRW-GDBMZVCRSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)noc2C2CC2)C1 ZINC001027495521 633890578 /nfs/dbraw/zinc/89/05/78/633890578.db2.gz YQQKHFLXESZMMJ-AWEZNQCLSA-N 0 3 301.390 2.030 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(CNCc2cc(C3CC3)no2)CC1 ZINC000997606606 633898010 /nfs/dbraw/zinc/89/80/10/633898010.db2.gz MFSSZUBNUQHKEV-GFCCVEGCSA-N 0 3 316.405 2.040 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccnn2CC(C)C)CC1 ZINC000997607889 633898892 /nfs/dbraw/zinc/89/88/92/633898892.db2.gz MBUFSUNRDIIAIY-HNNXBMFYSA-N 0 3 316.449 2.003 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c[nH]nc2C(C)C)CC1 ZINC000997658265 633915681 /nfs/dbraw/zinc/91/56/81/633915681.db2.gz OVKBCOXVIHINMV-AWEZNQCLSA-N 0 3 316.449 2.387 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccc3nccn32)CC1 ZINC000997671752 633924531 /nfs/dbraw/zinc/92/45/31/633924531.db2.gz BGCLMUDZVWGTTI-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001027509726 633937539 /nfs/dbraw/zinc/93/75/39/633937539.db2.gz HCODHZQAYBAXCU-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(CC)c2C)C(C)(C)C1 ZINC000977386856 633957372 /nfs/dbraw/zinc/95/73/72/633957372.db2.gz JWGIBLSNYYLALU-HNNXBMFYSA-N 0 3 304.438 2.228 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000997766514 633967822 /nfs/dbraw/zinc/96/78/22/633967822.db2.gz APNAREHISCVLGT-NUEKZKHPSA-N 0 3 300.402 2.233 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnn3ccccc23)CC1 ZINC000997798073 633984721 /nfs/dbraw/zinc/98/47/21/633984721.db2.gz ZHXHLABZFUYSRJ-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnn(C(C)C)c2C)CC1 ZINC000997828897 634001591 /nfs/dbraw/zinc/00/15/91/634001591.db2.gz NGCOYTQOXQBNTA-AWEZNQCLSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2sccc2COC)CC1 ZINC000997832354 634003692 /nfs/dbraw/zinc/00/36/92/634003692.db2.gz IZGCLYQSQCAERZ-ZDUSSCGKSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]c3cccnc32)C(C)(C)C1 ZINC000977473877 634004752 /nfs/dbraw/zinc/00/47/52/634004752.db2.gz JBAXYGDWGPKQAV-HNNXBMFYSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(CC3CC3)c2)C(C)(C)C1 ZINC000977488333 634007081 /nfs/dbraw/zinc/00/70/81/634007081.db2.gz SAORKZOEQMLQBF-INIZCTEOSA-N 0 3 316.449 2.309 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cnn(C)c2C)CC1 ZINC000997927049 634066374 /nfs/dbraw/zinc/06/63/74/634066374.db2.gz JQOBDIWCQWZHRB-MRXNPFEDSA-N 0 3 316.449 2.068 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ncoc2C)CC1 ZINC000997938313 634069427 /nfs/dbraw/zinc/06/94/27/634069427.db2.gz DYUUNRJAEFESFJ-HNNXBMFYSA-N 0 3 303.406 2.323 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CNCc2nccnc2C)CC1 ZINC000997962880 634078885 /nfs/dbraw/zinc/07/88/85/634078885.db2.gz SUIXVHOBCGVPCA-UHFFFAOYSA-N 0 3 316.449 2.325 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCCOCC2)CC1 ZINC000997990773 634098982 /nfs/dbraw/zinc/09/89/82/634098982.db2.gz KIOLGKXJNFDVLB-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccn(C(F)F)n2)CC1 ZINC000998022987 634115012 /nfs/dbraw/zinc/11/50/12/634115012.db2.gz MVOZEANHKAADHF-ZDUSSCGKSA-N 0 3 324.375 2.228 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccnn2C(F)F)CC1 ZINC000998021340 634116384 /nfs/dbraw/zinc/11/63/84/634116384.db2.gz FQTUOICMYANJNJ-CYBMUJFWSA-N 0 3 324.375 2.228 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)CC[C@@H]2C1 ZINC000946466586 634138821 /nfs/dbraw/zinc/13/88/21/634138821.db2.gz PKXFQUZQWOVDAV-QLFBSQMISA-N 0 3 312.841 2.088 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc3nccn3c2)CC1 ZINC000998174143 634160605 /nfs/dbraw/zinc/16/06/05/634160605.db2.gz NOGREUNUCDDADF-KRWDZBQOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ncccc2OC)CC1 ZINC000998183628 634162109 /nfs/dbraw/zinc/16/21/09/634162109.db2.gz XCOWWBUSKGFZQU-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCOCCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836919941 650145820 /nfs/dbraw/zinc/14/58/20/650145820.db2.gz OGIWACREKHUWMY-KRWDZBQOSA-N 0 3 314.429 2.007 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)cc(OC)cc2F)C1 ZINC001027591594 634227980 /nfs/dbraw/zinc/22/79/80/634227980.db2.gz WSYMXOIGQRXEET-GFCCVEGCSA-N 0 3 322.355 2.143 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC000978212134 634245083 /nfs/dbraw/zinc/24/50/83/634245083.db2.gz BHYZAVKMMVPZPW-TVFCKZIOSA-N 0 3 300.446 2.440 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2scnc2C(C)C)C1 ZINC001027606657 634267664 /nfs/dbraw/zinc/26/76/64/634267664.db2.gz KHBLOFWWXRYJNP-CYBMUJFWSA-N 0 3 305.447 2.436 20 30 DEEDHN CSCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998469302 634284269 /nfs/dbraw/zinc/28/42/69/634284269.db2.gz JNHHDWDEYOFRRJ-NSHDSACASA-N 0 3 309.460 2.063 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4ccccc43)[C@@H]2C1 ZINC000978341256 634286256 /nfs/dbraw/zinc/28/62/56/634286256.db2.gz UWDDQPHZXLKMMZ-CADBVGFASA-N 0 3 308.425 2.034 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nn(C)c3ccccc32)C[C@@H]1C ZINC000947947628 634291545 /nfs/dbraw/zinc/29/15/45/634291545.db2.gz HLEQLETWCARIGL-LSDHHAIUSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001027614989 634292543 /nfs/dbraw/zinc/29/25/43/634292543.db2.gz KGGYVKMRMVGPHN-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001027614989 634292544 /nfs/dbraw/zinc/29/25/44/634292544.db2.gz KGGYVKMRMVGPHN-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 ZINC001027619991 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C#CCCN1CCC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001027952752 635052865 /nfs/dbraw/zinc/05/28/65/635052865.db2.gz UVEFUMRUTMGQLD-ZDUSSCGKSA-N 0 3 306.356 2.491 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001027979740 635151021 /nfs/dbraw/zinc/15/10/21/635151021.db2.gz HPQIWDMFMCSEPG-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1n[nH]c(C2CC2)c1Cl ZINC001027996996 635197114 /nfs/dbraw/zinc/19/71/14/635197114.db2.gz FNKYSPZQEXDIAZ-GFCCVEGCSA-N 0 3 320.824 2.158 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001028005881 635224630 /nfs/dbraw/zinc/22/46/30/635224630.db2.gz DDYRUUXRHDYRRO-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001028025154 635284834 /nfs/dbraw/zinc/28/48/34/635284834.db2.gz CFRVNWJTXREUDB-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn3c(n2)C[C@H](C)CC3)CC1 ZINC001000840680 635319858 /nfs/dbraw/zinc/31/98/58/635319858.db2.gz FYROIKUBQHKQTN-CQSZACIVSA-N 0 3 314.433 2.013 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001028038422 635348596 /nfs/dbraw/zinc/34/85/96/635348596.db2.gz VPBHBPKVVHXLMO-ZDUSSCGKSA-N 0 3 313.405 2.037 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001028059919 635393475 /nfs/dbraw/zinc/39/34/75/635393475.db2.gz JREFZCDWFAKJHN-AWEZNQCLSA-N 0 3 304.365 2.052 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001028059920 635393969 /nfs/dbraw/zinc/39/39/69/635393969.db2.gz JREFZCDWFAKJHN-CQSZACIVSA-N 0 3 304.365 2.052 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2conc2C2CCCC2)CC1 ZINC001001477152 635515354 /nfs/dbraw/zinc/51/53/54/635515354.db2.gz PHSQIRRYJMWXKS-UHFFFAOYSA-N 0 3 315.417 2.407 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)[C@H]2CCCCN2C)CC1 ZINC001001539846 635525234 /nfs/dbraw/zinc/52/52/34/635525234.db2.gz VNOOULYOUNJLGX-OAHLLOKOSA-N 0 3 313.873 2.051 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC001001766534 635551129 /nfs/dbraw/zinc/55/11/29/635551129.db2.gz HJGWSUTULWKWLI-SFHVURJKSA-N 0 3 314.404 2.317 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC001001887251 635568629 /nfs/dbraw/zinc/56/86/29/635568629.db2.gz UQHNSQZPZUUUGZ-IBGZPJMESA-N 0 3 310.441 2.253 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2scnc2C2CC2)CC1 ZINC001001919468 635576776 /nfs/dbraw/zinc/57/67/76/635576776.db2.gz WHRKXJFAWQLFGA-UHFFFAOYSA-N 0 3 317.458 2.486 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cncc(Cl)c2)CC1 ZINC001001943747 635580805 /nfs/dbraw/zinc/58/08/05/635580805.db2.gz YIAHSYJJERRLTF-UHFFFAOYSA-N 0 3 305.809 2.200 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c[nH]c3ncccc23)CC1 ZINC001002140506 635630824 /nfs/dbraw/zinc/63/08/24/635630824.db2.gz OVTUVTISWPDJHH-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cn(C)nc3C(F)F)C2)C1 ZINC000981817026 635669159 /nfs/dbraw/zinc/66/91/59/635669159.db2.gz NEMBEYTVJGOJSG-UHFFFAOYSA-N 0 3 324.375 2.082 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001028174204 635771038 /nfs/dbraw/zinc/77/10/38/635771038.db2.gz 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/nfs/dbraw/zinc/84/51/96/635845196.db2.gz RSOAXRYCQXNJEE-UHFFFAOYSA-N 0 3 302.422 2.017 20 30 DEEDHN C#CCCN1CCCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000982065407 635852739 /nfs/dbraw/zinc/85/27/39/635852739.db2.gz YQTXYDOJHVEFLU-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc3c2COCC3)CC1 ZINC001002990905 635875744 /nfs/dbraw/zinc/87/57/44/635875744.db2.gz YDBYLDCSFDQFBX-UHFFFAOYSA-N 0 3 300.402 2.140 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(Cl)cn3)C2)C1 ZINC000982125436 635880246 /nfs/dbraw/zinc/88/02/46/635880246.db2.gz RHDCWCNTIITQIA-UHFFFAOYSA-N 0 3 305.809 2.459 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC000982213012 635909432 /nfs/dbraw/zinc/90/94/32/635909432.db2.gz SLJMULVMZUBUBY-UHFFFAOYSA-N 0 3 310.401 2.043 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000982213012 635909436 /nfs/dbraw/zinc/90/94/36/635909436.db2.gz SLJMULVMZUBUBY-UHFFFAOYSA-N 0 3 310.401 2.043 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2nsnc21 ZINC001028235722 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Cc1nc(C(=O)NC[C@@H]2CCN(Cc3cccc(C#N)c3)C2)co1 ZINC001028491823 636255946 /nfs/dbraw/zinc/25/59/46/636255946.db2.gz MZXZCZNIUGJXHR-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCCC1(F)F)C1CCN(C)CC1 ZINC000922718653 636345256 /nfs/dbraw/zinc/34/52/56/636345256.db2.gz YOCAUIAUAYXIPH-ZDUSSCGKSA-N 0 3 313.392 2.161 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(OCCC)c2)C1 ZINC001028577728 636365445 /nfs/dbraw/zinc/36/54/45/636365445.db2.gz XQGFQBQDGHWOOH-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001004344875 636371142 /nfs/dbraw/zinc/37/11/42/636371142.db2.gz FWTVBAHGJZLHQV-QGZVFWFLSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001004344875 636371146 /nfs/dbraw/zinc/37/11/46/636371146.db2.gz FWTVBAHGJZLHQV-QGZVFWFLSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001028635582 636528095 /nfs/dbraw/zinc/52/80/95/636528095.db2.gz 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C#CCN1CC[C@@H](CNC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001028950401 636885695 /nfs/dbraw/zinc/88/56/95/636885695.db2.gz HLPCYQAIBNDIKY-INIZCTEOSA-N 0 3 313.445 2.218 20 30 DEEDHN C#CCC1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1 ZINC000923002184 636907547 /nfs/dbraw/zinc/90/75/47/636907547.db2.gz ZCMWJLLREYLRCQ-UHFFFAOYSA-N 0 3 302.330 2.497 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028984470 636928903 /nfs/dbraw/zinc/92/89/03/636928903.db2.gz UQWPSGAYDKHUEA-KRWDZBQOSA-N 0 3 322.412 2.447 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001029011416 636951749 /nfs/dbraw/zinc/95/17/49/636951749.db2.gz JKUOAZWCWLMSSU-CQSZACIVSA-N 0 3 311.385 2.211 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001029014970 636953750 /nfs/dbraw/zinc/95/37/50/636953750.db2.gz MUHOGPQVHYLCIF-JTQLQIEISA-N 0 3 316.348 2.452 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cnc(CC(C)C)s2)C1 ZINC001029017803 636956895 /nfs/dbraw/zinc/95/68/95/636956895.db2.gz UWUKNPRORLGYAH-CYBMUJFWSA-N 0 3 305.447 2.027 20 30 DEEDHN Cc1nc(NC2CCN(Cc3cccc(C#N)c3)CC2)cc(=O)[nH]1 ZINC000894408059 637012858 /nfs/dbraw/zinc/01/28/58/637012858.db2.gz QZUQXBBWYCSJMO-UHFFFAOYSA-N 0 3 323.400 2.439 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000923225251 637042099 /nfs/dbraw/zinc/04/20/99/637042099.db2.gz RNSXJFCJILAKTB-JKSUJKDBSA-N 0 3 321.465 2.073 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000894735192 637184656 /nfs/dbraw/zinc/18/46/56/637184656.db2.gz BBJSRMXTDVEQFD-SJORKVTESA-N 0 3 319.376 2.422 20 30 DEEDHN C=CCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894833169 637240906 /nfs/dbraw/zinc/24/09/06/637240906.db2.gz PRPFVRBVDVVJMO-IRXDYDNUSA-N 0 3 323.481 2.364 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC001006151417 637247880 /nfs/dbraw/zinc/24/78/80/637247880.db2.gz LPKWMFJORWTOHE-GFCCVEGCSA-N 0 3 304.438 2.239 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)CC1 ZINC001006237080 637291540 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C#CCC1(O)CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000895669925 638143071 /nfs/dbraw/zinc/14/30/71/638143071.db2.gz LPXKYQLYYARDGF-UHFFFAOYSA-N 0 3 324.428 2.234 20 30 DEEDHN CC(C)CO[C@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000746417141 638342972 /nfs/dbraw/zinc/34/29/72/638342972.db2.gz ZTINQADMVFHAKL-OLZOCXBDSA-N 0 3 304.394 2.242 20 30 DEEDHN C#CCN(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000749227130 638625524 /nfs/dbraw/zinc/62/55/24/638625524.db2.gz YQCXUAYOXOCGGA-UHFFFAOYSA-N 0 3 314.433 2.316 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNCc3cnc(C)cn3)C2)C1 ZINC000984776880 638671095 /nfs/dbraw/zinc/67/10/95/638671095.db2.gz ZOBRNNVAPNOSCY-SHTZXODSSA-N 0 3 314.433 2.126 20 30 DEEDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000896961594 639100274 /nfs/dbraw/zinc/10/02/74/639100274.db2.gz AEWLEJUGJCLRGB-UKRRQHHQSA-N 0 3 302.374 2.362 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC(=C)C)cn1 ZINC001029558897 639101633 /nfs/dbraw/zinc/10/16/33/639101633.db2.gz 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/nfs/dbraw/zinc/87/98/60/639879860.db2.gz QNNDQTWYAPWVEF-MJGOQNOKSA-N 0 3 323.440 2.318 20 30 DEEDHN CC(C)(C)C#CCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000798889169 640022035 /nfs/dbraw/zinc/02/20/35/640022035.db2.gz FLDWFUWYVLQHIL-VHSXEESVSA-N 0 3 305.296 2.036 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cncnc1 ZINC000761091512 640268324 /nfs/dbraw/zinc/26/83/24/640268324.db2.gz DIRQFPQKCQALOL-JTQLQIEISA-N 0 3 300.705 2.091 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)c1cocn1 ZINC000988303323 640390135 /nfs/dbraw/zinc/39/01/35/640390135.db2.gz NDLXVCWAYCWBTI-WDEREUQCSA-N 0 3 316.386 2.001 20 30 DEEDHN CCOC(=O)[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000763272326 640525570 /nfs/dbraw/zinc/52/55/70/640525570.db2.gz RTIBVMPIQIABAR-CQSZACIVSA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(OCCC)c2)C1 ZINC000988912155 640686712 /nfs/dbraw/zinc/68/67/12/640686712.db2.gz LMHSGXHGVUIERI-GDBMZVCRSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3ccc(C)nc32)C1 ZINC000989024517 640706027 /nfs/dbraw/zinc/70/60/27/640706027.db2.gz VQAPXYRUSVUMOD-ZBFHGGJFSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)cc3ccoc32)C1 ZINC000989066354 640714819 /nfs/dbraw/zinc/71/48/19/640714819.db2.gz AFJHXIFDKVYOEX-RISCZKNCSA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2ccc(C(C)C)cc2)C1 ZINC000989126940 640729983 /nfs/dbraw/zinc/72/99/83/640729983.db2.gz UPOLLXQFZKOXJR-NVXWUHKLSA-N 0 3 314.429 2.401 20 30 DEEDHN C#CCNC(=O)C1CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000765480374 640783158 /nfs/dbraw/zinc/78/31/58/640783158.db2.gz GITBXOVLPLKWSE-UHFFFAOYSA-N 0 3 323.396 2.209 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H](NCc3ccnn3C)C[C@@H]2C)CC1 ZINC000989404603 640851189 /nfs/dbraw/zinc/85/11/89/640851189.db2.gz JKWPZHLVVMCDIO-HOCLYGCPSA-N 0 3 316.449 2.246 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897931613 640970165 /nfs/dbraw/zinc/97/01/65/640970165.db2.gz WXTQGNQIBSMAQZ-RDJZCZTQSA-N 0 3 320.433 2.178 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000989456683 641051964 /nfs/dbraw/zinc/05/19/64/641051964.db2.gz BWWUFPIYYGPLLM-UHFFFAOYSA-N 0 3 304.438 2.431 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000989562011 641149621 /nfs/dbraw/zinc/14/96/21/641149621.db2.gz MCDKDSBTXDLKRI-WCQYABFASA-N 0 3 315.398 2.229 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC000989707319 641203372 /nfs/dbraw/zinc/20/33/72/641203372.db2.gz LIKNTUFREPLZLT-RKDXNWHRSA-N 0 3 314.282 2.069 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC000989718651 641207471 /nfs/dbraw/zinc/20/74/71/641207471.db2.gz NORCGZWUXYDLIR-NVXWUHKLSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCN1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730179 641209636 /nfs/dbraw/zinc/20/96/36/641209636.db2.gz MWFZSOSMJMOEMV-UHFFFAOYSA-N 0 3 301.434 2.082 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3ccc(F)cc23)C1 ZINC000989726892 641211149 /nfs/dbraw/zinc/21/11/49/641211149.db2.gz QFBZEYJBNHQRMP-DGCLKSJQSA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2coc3cc(C)ccc23)C1 ZINC000989762154 641219158 /nfs/dbraw/zinc/21/91/58/641219158.db2.gz GCNGSJWLVNKQIE-HOCLYGCPSA-N 0 3 310.397 2.496 20 30 DEEDHN C=CCOc1cccc(CN2CCN(CCCCO)CC2)c1 ZINC000769396035 641232039 /nfs/dbraw/zinc/23/20/39/641232039.db2.gz ULLSTVVMUCPBHT-UHFFFAOYSA-N 0 3 304.434 2.142 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(OC(C)C)cc2)C1 ZINC000989815444 641239882 /nfs/dbraw/zinc/23/98/82/641239882.db2.gz DVRTVCNLGRMRMH-RDJZCZTQSA-N 0 3 314.429 2.229 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2sc(Cl)nc2Cl)C1 ZINC000989806121 641243560 /nfs/dbraw/zinc/24/35/60/641243560.db2.gz KJSORZTXYOTBTM-SFYZADRCSA-N 0 3 318.229 2.276 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3ccsc3)CCC[C@H]12 ZINC000989928564 641297211 /nfs/dbraw/zinc/29/72/11/641297211.db2.gz IUEJONMTSSWGKI-RDJZCZTQSA-N 0 3 302.443 2.427 20 30 DEEDHN C(=NOC[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000769879901 641304596 /nfs/dbraw/zinc/30/45/96/641304596.db2.gz ZUMRLORSVSQBHW-MRXNPFEDSA-N 0 3 304.390 2.300 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]cnc32)C[C@H]1C ZINC000947842857 641576409 /nfs/dbraw/zinc/57/64/09/641576409.db2.gz WZAIEUZRMSNNLX-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)C[C@@H]1C ZINC000947842858 641576531 /nfs/dbraw/zinc/57/65/31/641576531.db2.gz WZAIEUZRMSNNLX-UONOGXRCSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)N(C)C)C1=O ZINC000842238281 650676003 /nfs/dbraw/zinc/67/60/03/650676003.db2.gz MXHDXCLXJBQICG-HZPDHXFCSA-N 0 3 315.417 2.484 20 30 DEEDHN CC[C@H](Sc1ccccc1)C(=O)C(C#N)C(=O)NCCOC ZINC000842287414 650694877 /nfs/dbraw/zinc/69/48/77/650694877.db2.gz BJTZCOXRDZIRIY-KGLIPLIRSA-N 0 3 320.414 2.029 20 30 DEEDHN CCOc1ccc(C[C@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000842289925 650695775 /nfs/dbraw/zinc/69/57/75/650695775.db2.gz 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/nfs/dbraw/zinc/74/40/39/642744039.db2.gz XYRDRYGJAVORDD-AEFFLSMTSA-N 0 3 316.449 2.452 20 30 DEEDHN N#CCOc1ccc(Cl)cc1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000782539941 642894120 /nfs/dbraw/zinc/89/41/20/642894120.db2.gz QVOPUHSNFSASRD-KBPBESRZSA-N 0 3 321.808 2.376 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000783347946 642996748 /nfs/dbraw/zinc/99/67/48/642996748.db2.gz UMTUWVWPXYVNGO-BFHYXJOUSA-N 0 3 306.406 2.397 20 30 DEEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786538529 643380999 /nfs/dbraw/zinc/38/09/99/643380999.db2.gz NUHZLOMNLLTJAW-RISCZKNCSA-N 0 3 322.792 2.338 20 30 DEEDHN CSCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786546153 643382528 /nfs/dbraw/zinc/38/25/28/643382528.db2.gz HKFMIJANICAXNR-CQSZACIVSA-N 0 3 304.415 2.463 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H]2CCCCO2)c1 ZINC000786552070 643383150 /nfs/dbraw/zinc/38/31/50/643383150.db2.gz JRZRLBOKLJUPMH-CVEARBPZSA-N 0 3 314.385 2.279 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COCc2ccccn2)c1 ZINC000805854437 643548636 /nfs/dbraw/zinc/54/86/36/643548636.db2.gz VRQQBPKRLMDILW-MRXNPFEDSA-N 0 3 323.352 2.254 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000805856036 643553510 /nfs/dbraw/zinc/55/35/10/643553510.db2.gz QOMZIQRNSMOKPZ-NSHDSACASA-N 0 3 305.378 2.138 20 30 DEEDHN CCn1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1=O ZINC000788524529 643620363 /nfs/dbraw/zinc/62/03/63/643620363.db2.gz RIILIDHYVZBOAX-CQSZACIVSA-N 0 3 311.385 2.449 20 30 DEEDHN CC1/C(=C\c2ccc(O[C@@H]3CCOC3)cc2)C(=O)c2ncnn21 ZINC000905085019 643779609 /nfs/dbraw/zinc/77/96/09/643779609.db2.gz LFDBBUKMJGDWQD-LXOBWEIZSA-N 0 3 311.341 2.287 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCCc3cccnc32)cc1 ZINC000905602092 643960989 /nfs/dbraw/zinc/96/09/89/643960989.db2.gz NBTOFBSHQPBSQV-AEFFLSMTSA-N 0 3 323.396 2.360 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000792186479 644086649 /nfs/dbraw/zinc/08/66/49/644086649.db2.gz ODGRBQGPFPGZFJ-HOCLYGCPSA-N 0 3 313.401 2.174 20 30 DEEDHN N#CC(C(=O)CC1OCCCO1)C(=O)Nc1ccccc1Cl ZINC000793122359 644193963 /nfs/dbraw/zinc/19/39/63/644193963.db2.gz AWTMGPAZXLHXSS-SNVBAGLBSA-N 0 3 322.748 2.140 20 30 DEEDHN COCCN1CCC(NC(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000906415469 644246133 /nfs/dbraw/zinc/24/61/33/644246133.db2.gz GWVJFOFCODADTC-UHFFFAOYSA-N 0 3 315.417 2.016 20 30 DEEDHN N=C(N)NN=Cc1ccc(Br)cc1C(F)(F)F ZINC000794489322 644424882 /nfs/dbraw/zinc/42/48/82/644424882.db2.gz UQXAYIUATOBGJH-UHFFFAOYSA-N 0 3 309.089 2.285 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000907141986 644455767 /nfs/dbraw/zinc/45/57/67/644455767.db2.gz JYEDLMUUHKMLJQ-HUUCEWRRSA-N 0 3 320.458 2.067 20 30 DEEDHN CCCOC(=O)[C@@H](C)OC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000795816004 644641332 /nfs/dbraw/zinc/64/13/32/644641332.db2.gz FRRYJPWHYXVNQJ-IUODEOHRSA-N 0 3 314.341 2.125 20 30 DEEDHN CCN1CCOC[C@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566869 644895838 /nfs/dbraw/zinc/89/58/38/644895838.db2.gz BIEQPCSELGPTRJ-RYUDHWBXSA-N 0 3 321.446 2.338 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000798545500 645035149 /nfs/dbraw/zinc/03/51/49/645035149.db2.gz XWGHQCRMDXAFLX-WBVHZDCISA-N 0 3 301.434 2.464 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000798938012 645101615 /nfs/dbraw/zinc/10/16/15/645101615.db2.gz XZDBIRNRBUVWNY-GJZGRUSLSA-N 0 3 300.402 2.360 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000801920917 645463331 /nfs/dbraw/zinc/46/33/31/645463331.db2.gz WGZFGHYZZIBNBO-SUMWQHHRSA-N 0 3 306.381 2.500 20 30 DEEDHN C#C[C@H](CC)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000806154817 645803808 /nfs/dbraw/zinc/80/38/08/645803808.db2.gz JITSWVYYBTVBLX-OAHLLOKOSA-N 0 3 314.433 2.362 20 30 DEEDHN C#CCSCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000806845997 645879192 /nfs/dbraw/zinc/87/91/92/645879192.db2.gz ZAXVBLLNPZESAI-UHFFFAOYSA-N 0 3 311.495 2.260 20 30 DEEDHN C=CCn1c(C2CC2)nn(CN2CCN(C)C[C@H]2CC)c1=S ZINC000840092973 645945460 /nfs/dbraw/zinc/94/54/60/645945460.db2.gz DIJSLOBELPPCOP-CQSZACIVSA-N 0 3 321.494 2.461 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000807402241 645946795 /nfs/dbraw/zinc/94/67/95/645946795.db2.gz DOEAEZKNFDFDIN-FUHWJXTLSA-N 0 3 311.429 2.346 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000912189523 645985840 /nfs/dbraw/zinc/98/58/40/645985840.db2.gz XGBYLSQXTDYPPI-KRWDZBQOSA-N 0 3 312.417 2.215 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000912467562 646072679 /nfs/dbraw/zinc/07/26/79/646072679.db2.gz PVKZMLYEYLEXSN-KKUMJFAQSA-N 0 3 311.470 2.177 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cnn(C)c3Cl)CCC[C@@H]12 ZINC000991390660 646121700 /nfs/dbraw/zinc/12/17/00/646121700.db2.gz UYBXDUJVIHKAEQ-CJNGLKHVSA-N 0 3 322.840 2.376 20 30 DEEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccccc1Cl ZINC000810529700 646371907 /nfs/dbraw/zinc/37/19/07/646371907.db2.gz MFLIPUQEZHRGAT-CYBMUJFWSA-N 0 3 322.792 2.134 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)c1 ZINC000810708555 646409536 /nfs/dbraw/zinc/40/95/36/646409536.db2.gz ULZWMWBTXFQNNV-CABCVRRESA-N 0 3 316.426 2.463 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)c1 ZINC000810708557 646409553 /nfs/dbraw/zinc/40/95/53/646409553.db2.gz ULZWMWBTXFQNNV-HUUCEWRRSA-N 0 3 316.426 2.463 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccncc2Cl)C[C@H]1C ZINC000947745096 646525714 /nfs/dbraw/zinc/52/57/14/646525714.db2.gz CIRQBQFPTHMRDB-OLZOCXBDSA-N 0 3 305.809 2.341 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccncc2Cl)C[C@H]1C ZINC000947745095 646525872 /nfs/dbraw/zinc/52/58/72/646525872.db2.gz CIRQBQFPTHMRDB-CHWSQXEVSA-N 0 3 305.809 2.341 20 30 DEEDHN CC[C@H](O)CNN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000811654003 646554895 /nfs/dbraw/zinc/55/48/95/646554895.db2.gz LCWIFBWBKQENGH-KRWDZBQOSA-N 0 3 319.449 2.376 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc(C)n(CC)c3C)CCC[C@H]12 ZINC000991681495 646580539 /nfs/dbraw/zinc/58/05/39/646580539.db2.gz PFDFQVROWAEJMQ-HKUYNNGSSA-N 0 3 313.445 2.485 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(C)C ZINC000811993905 646600385 /nfs/dbraw/zinc/60/03/85/646600385.db2.gz ZUWSLAJVUSKCLM-SJORKVTESA-N 0 3 301.434 2.116 20 30 DEEDHN C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)C[C@H]1C ZINC000947334311 646618082 /nfs/dbraw/zinc/61/80/82/646618082.db2.gz KNKXKXVYZDJBCJ-OLZOCXBDSA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)C[C@H]1C ZINC000947334311 646618084 /nfs/dbraw/zinc/61/80/84/646618084.db2.gz KNKXKXVYZDJBCJ-OLZOCXBDSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3ccn4ccccc34)CCC[C@H]12 ZINC000991781624 646623007 /nfs/dbraw/zinc/62/30/07/646623007.db2.gz LQXHOYXJSOLFCR-PKOBYXMFSA-N 0 3 307.397 2.299 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3oc2=O)C[C@H]1C ZINC000947988724 646629209 /nfs/dbraw/zinc/62/92/09/646629209.db2.gz CTDHNLANHKSXSL-UKRRQHHQSA-N 0 3 324.380 2.009 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(OC)c2)C[C@H]1C ZINC000947989501 646635133 /nfs/dbraw/zinc/63/51/33/646635133.db2.gz KSJIQZVYDYDNBR-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(OC)c2)C[C@@H]1C ZINC000947989500 646635340 /nfs/dbraw/zinc/63/53/40/646635340.db2.gz KSJIQZVYDYDNBR-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccc4nccn43)CCC[C@@H]12 ZINC000991839025 646652564 /nfs/dbraw/zinc/65/25/64/646652564.db2.gz GSZKEYFFMABWBA-VQIMIIECSA-N 0 3 322.412 2.084 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C(F)F)n(C)n3)CCC[C@H]12 ZINC000991839654 646653372 /nfs/dbraw/zinc/65/33/72/646653372.db2.gz IMUYFQMUMRGGRV-BBRMVZONSA-N 0 3 324.375 2.271 20 30 DEEDHN C=CCc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813102398 646728991 /nfs/dbraw/zinc/72/89/91/646728991.db2.gz QXWNFSZDFWYOPR-NSHDSACASA-N 0 3 309.318 2.011 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)Cc3ncccc3F)CCC[C@@H]12 ZINC000992121848 646860504 /nfs/dbraw/zinc/86/05/04/646860504.db2.gz FVHJPMRYXJUTGF-WBVHZDCISA-N 0 3 303.381 2.062 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc4n3CCCC4)CCC[C@@H]12 ZINC000992127401 646864568 /nfs/dbraw/zinc/86/45/68/646864568.db2.gz JAEKDVKKLHOJQM-QAPCUYQASA-N 0 3 314.433 2.132 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnc(OCC)c3)CCC[C@H]12 ZINC000992189727 646894975 /nfs/dbraw/zinc/89/49/75/646894975.db2.gz OCVALQBFSQALHX-MAUKXSAKSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C(C)C)n[nH]3)CCC[C@H]12 ZINC000992268745 646921748 /nfs/dbraw/zinc/92/17/48/646921748.db2.gz SMBZRTLPKOILDE-RDJZCZTQSA-N 0 3 302.422 2.446 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nc(C)n3)CCC[C@@H]12 ZINC000992325280 646946982 /nfs/dbraw/zinc/94/69/82/646946982.db2.gz KMACWRFCYDIRKD-NVXWUHKLSA-N 0 3 300.406 2.006 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C[C@H]1C ZINC000948056551 646956766 /nfs/dbraw/zinc/95/67/66/646956766.db2.gz LACVXJAGGYZPPG-OLZOCXBDSA-N 0 3 314.389 2.438 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccccc1C(C)(C)C ZINC000815082586 646964949 /nfs/dbraw/zinc/96/49/49/646964949.db2.gz AHIFOBLXBABCPO-UHFFFAOYSA-N 0 3 322.474 2.218 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cncc(F)c2)c1 ZINC000151591229 646977307 /nfs/dbraw/zinc/97/73/07/646977307.db2.gz IROCKANKFWUTMK-CQSZACIVSA-N 0 3 313.288 2.190 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc(OC)cc3)CCC[C@H]12 ZINC000992440802 647006677 /nfs/dbraw/zinc/00/66/77/647006677.db2.gz SJWBTEKFWHRSDD-PKOBYXMFSA-N 0 3 312.413 2.445 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)c3ccc4c(c3)N(C)CC4)CCC[C@@H]12 ZINC000992458314 647028974 /nfs/dbraw/zinc/02/89/74/647028974.db2.gz SMOCPTBTOULRQC-QUCCMNQESA-N 0 3 323.440 2.039 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@]12CCC[C@H]1N(CC#CC)CC2 ZINC000992459922 647030442 /nfs/dbraw/zinc/03/04/42/647030442.db2.gz LJLUDRDEKHTRCN-CTNGQTDRSA-N 0 3 320.436 2.347 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc(F)cc3)CCC[C@@H]12 ZINC000992466182 647039177 /nfs/dbraw/zinc/03/91/77/647039177.db2.gz KOZWUDHONFKHTH-AEFFLSMTSA-N 0 3 300.377 2.115 20 30 DEEDHN N#CC(C(=O)[C@H]1CCNC(=O)CC1)c1ccc2ccccc2n1 ZINC000815899239 647063006 /nfs/dbraw/zinc/06/30/06/647063006.db2.gz JXSFPUZNWIEWBI-KGLIPLIRSA-N 0 3 307.353 2.327 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)C3CCOCC3)CCC[C@H]12 ZINC000992531075 647093714 /nfs/dbraw/zinc/09/37/14/647093714.db2.gz BCJUFRPODCQICD-HHXXYDBFSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCOCC3)CCC[C@@H]12 ZINC000992542095 647100606 /nfs/dbraw/zinc/10/06/06/647100606.db2.gz DATJFBUORWJPQK-YXJHDRRASA-N 0 3 306.450 2.348 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000152385201 647149903 /nfs/dbraw/zinc/14/99/03/647149903.db2.gz OVKXKBDYPNINSV-RISCZKNCSA-N 0 3 304.346 2.158 20 30 DEEDHN CN(C)C(=S)NN=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000731560759 647494513 /nfs/dbraw/zinc/49/45/13/647494513.db2.gz ZCCHRTUOGCHWFR-UHFFFAOYSA-N 0 3 322.453 2.256 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H]1C ZINC000993316590 647595825 /nfs/dbraw/zinc/59/58/25/647595825.db2.gz RDSUKAIBMSWUMU-DLBZAZTESA-N 0 3 319.493 2.243 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H]1C ZINC000993324350 647604712 /nfs/dbraw/zinc/60/47/12/647604712.db2.gz FWEOPVFEFOZMPP-YOEHRIQHSA-N 0 3 314.433 2.214 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cnn3ccccc23)[C@@H]1C ZINC000993448418 647676114 /nfs/dbraw/zinc/67/61/14/647676114.db2.gz YDZNPOAGMOMPJG-GOEBONIOSA-N 0 3 312.417 2.032 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OC)c(F)c2)[C@@H]1C ZINC000993454483 647677741 /nfs/dbraw/zinc/67/77/41/647677741.db2.gz RAUQUVGVEUGHAN-BBRMVZONSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H]1C ZINC000993506325 647682257 /nfs/dbraw/zinc/68/22/57/647682257.db2.gz DBGPKNNFBPJTGE-GOEBONIOSA-N 0 3 324.428 2.477 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCCN(CC3CC(F)(F)C3)C2)c[nH]1 ZINC001007153643 647687516 /nfs/dbraw/zinc/68/75/16/647687516.db2.gz BMIPZWWFROQWIN-CYBMUJFWSA-N 0 3 322.359 2.126 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CCF)c2)[C@H]1C ZINC000993519500 647688165 /nfs/dbraw/zinc/68/81/65/647688165.db2.gz KMGQLULDPLWDAQ-HIFRSBDPSA-N 0 3 308.401 2.011 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H]1C ZINC000993566007 647702301 /nfs/dbraw/zinc/70/23/01/647702301.db2.gz JWBJETCMUBKBBL-UONOGXRCSA-N 0 3 316.449 2.313 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cncc(C)c2)[C@@H]1C ZINC000993641173 647713847 /nfs/dbraw/zinc/71/38/47/647713847.db2.gz LLPDVMOXMQHSDB-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@H]1C ZINC000993627258 647718092 /nfs/dbraw/zinc/71/80/92/647718092.db2.gz XOODZVYWHQUJTN-DOMZBBRYSA-N 0 3 303.406 2.118 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)n1cccn1 ZINC000819941312 647745479 /nfs/dbraw/zinc/74/54/79/647745479.db2.gz JUWREGCVKMQQHR-KGLIPLIRSA-N 0 3 304.394 2.240 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cnccc3n2)[C@H]1C ZINC000993871818 647756974 /nfs/dbraw/zinc/75/69/74/647756974.db2.gz HHUCUQMEURRZTH-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H]1C ZINC000994153184 647795242 /nfs/dbraw/zinc/79/52/42/647795242.db2.gz 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ZINC000844367248 651118188 /nfs/dbraw/zinc/11/81/88/651118188.db2.gz NCGFZNJIFDJMOA-MSOLQXFVSA-N 0 3 314.360 2.396 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000845099342 651203770 /nfs/dbraw/zinc/20/37/70/651203770.db2.gz CVRAOHPRHXSUPE-CQSZACIVSA-N 0 3 300.406 2.317 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845443600 651243601 /nfs/dbraw/zinc/24/36/01/651243601.db2.gz DZCDDLJFAOJQNA-QXSJWSMHSA-N 0 3 318.417 2.229 20 30 DEEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000845590232 651257815 /nfs/dbraw/zinc/25/78/15/651257815.db2.gz AMJVGLGEXYWBIP-UHFFFAOYSA-N 0 3 316.405 2.139 20 30 DEEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000845639473 651264909 /nfs/dbraw/zinc/26/49/09/651264909.db2.gz QETMODJTHRNAPI-CYBMUJFWSA-N 0 3 309.385 2.405 20 30 DEEDHN C#CCO[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883491 651292178 /nfs/dbraw/zinc/29/21/78/651292178.db2.gz TYMDFXRBTPTSJR-WDMOLILDSA-N 0 3 309.293 2.114 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC000847621612 651405749 /nfs/dbraw/zinc/40/57/49/651405749.db2.gz OUPAYHGBKKERBA-OAHLLOKOSA-N 0 3 320.364 2.010 20 30 DEEDHN CCC(C)(C)N1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000848302975 651450889 /nfs/dbraw/zinc/45/08/89/651450889.db2.gz RLSDBMMOZDDUHU-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN COC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848395261 651456111 /nfs/dbraw/zinc/45/61/11/651456111.db2.gz DRNBEOPPCGGRHJ-ZDUSSCGKSA-N 0 3 304.350 2.215 20 30 DEEDHN C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000848415809 651457262 /nfs/dbraw/zinc/45/72/62/651457262.db2.gz YLIWBYRDUSRVTJ-HOCLYGCPSA-N 0 3 314.433 2.265 20 30 DEEDHN CC(=O)OCCc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000848426707 651458466 /nfs/dbraw/zinc/45/84/66/651458466.db2.gz PCSWKXCDUVJVFA-INIZCTEOSA-N 0 3 317.389 2.142 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1cccnc1 ZINC000112652361 651566481 /nfs/dbraw/zinc/56/64/81/651566481.db2.gz ZBUOEFDDKXCSHL-CQSZACIVSA-N 0 3 323.352 2.370 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849587934 651687613 /nfs/dbraw/zinc/68/76/13/651687613.db2.gz JSEFKUDJWHXRKC-IKGGRYGDSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCOc1ccc(CNCc2ccc(NC(N)=O)cc2)cc1 ZINC000113319473 651689789 /nfs/dbraw/zinc/68/97/89/651689789.db2.gz DJFOCJGNORAGIQ-UHFFFAOYSA-N 0 3 309.369 2.479 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(C)(C)CC(F)(F)F)CC1 ZINC000856520334 651948173 /nfs/dbraw/zinc/94/81/73/651948173.db2.gz YBGDFRHOXZCKMO-UHFFFAOYSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000850759555 651982271 /nfs/dbraw/zinc/98/22/71/651982271.db2.gz KJAWVKZTIOPHOO-BPUTZDHNSA-N 0 3 312.369 2.200 20 30 DEEDHN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(CCOCCC#N)C2 ZINC000856813479 651990793 /nfs/dbraw/zinc/99/07/93/651990793.db2.gz HEJPWIWXAIOERM-PBHICJAKSA-N 0 3 323.437 2.296 20 30 DEEDHN C#CC[C@H](COC)NCc1cn(-c2ccccc2F)nc1C ZINC000858334601 652310642 /nfs/dbraw/zinc/31/06/42/652310642.db2.gz QNRWIICFECPCGO-OAHLLOKOSA-N 0 3 301.365 2.448 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000852062488 652329165 /nfs/dbraw/zinc/32/91/65/652329165.db2.gz GARQNEPSVPVKCE-TWMKSMIVSA-N 0 3 321.465 2.284 20 30 DEEDHN O=C(C#CC1CC[NH2+]CC1)Nc1cc(Br)ccc1[O-] ZINC000852878786 652474395 /nfs/dbraw/zinc/47/43/95/652474395.db2.gz OXMQLUZOHXWTGQ-UHFFFAOYSA-N 0 3 323.190 2.096 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@]1(C)CCCOC1)C(C)C ZINC001374439415 1157856015 /nfs/dbraw/zinc/85/60/15/1157856015.db2.gz PHLWKMSPVAHANV-UKRRQHHQSA-N 0 3 302.846 2.286 20 30 DEEDHN C#CC[C@@H](CCOC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000859027157 685639478 /nfs/dbraw/zinc/63/94/78/685639478.db2.gz YLIWNILRMUIDON-DLBZAZTESA-N 0 3 317.433 2.017 20 30 DEEDHN C=CCN(CC=C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000859073728 685649928 /nfs/dbraw/zinc/64/99/28/685649928.db2.gz NAMCBQSGFRHFIU-WMLDXEAASA-N 0 3 310.438 2.421 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001356740545 1152125533 /nfs/dbraw/zinc/12/55/33/1152125533.db2.gz NKNLTKPLVFDZME-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN CCN1CCN(CCC(=O)Nc2ccc(CCC#N)cc2)CC1 ZINC000928403720 693771719 /nfs/dbraw/zinc/77/17/19/693771719.db2.gz FXRJIPHUKBGHKP-UHFFFAOYSA-N 0 3 314.433 2.109 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000041520427 683891462 /nfs/dbraw/zinc/89/14/62/683891462.db2.gz PKGWKNIBWPMEQT-VIFPVBQESA-N 0 3 302.315 2.432 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000119470523 684082502 /nfs/dbraw/zinc/08/25/02/684082502.db2.gz YNESTDZYBQAYIW-HNNXBMFYSA-N 0 3 308.447 2.287 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000124779208 684138531 /nfs/dbraw/zinc/13/85/31/684138531.db2.gz JLXCCDZWGNZHOG-SFHVURJKSA-N 0 3 314.429 2.288 20 30 DEEDHN COCCN1[C@H](C)CN(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000129767334 684182029 /nfs/dbraw/zinc/18/20/29/684182029.db2.gz WFABJXAOAWNOAN-GASCZTMLSA-N 0 3 317.433 2.108 20 30 DEEDHN COCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000130364845 684187967 /nfs/dbraw/zinc/18/79/67/684187967.db2.gz WIMSZPPWBGBMIE-LLVKDONJSA-N 0 3 324.764 2.423 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000133520463 684220303 /nfs/dbraw/zinc/22/03/03/684220303.db2.gz ZAMBSBSZFSCEKL-APPZFPTMSA-N 0 3 315.156 2.216 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000156481937 684289480 /nfs/dbraw/zinc/28/94/80/684289480.db2.gz FUZYOCOWESIUGI-OLZOCXBDSA-N 0 3 306.387 2.484 20 30 DEEDHN C#C[C@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000187733470 684342130 /nfs/dbraw/zinc/34/21/30/684342130.db2.gz CIMKISMMWBHCIZ-RDJZCZTQSA-N 0 3 301.434 2.464 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC001054130741 693857337 /nfs/dbraw/zinc/85/73/37/693857337.db2.gz XPUAENZSVXWVEB-HXUWFJFHSA-N 0 3 323.440 2.310 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3n1)C2 ZINC001054164408 693867374 /nfs/dbraw/zinc/86/73/74/693867374.db2.gz IVFFCYFISJYUNA-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(F)(F)F)C2 ZINC001054174822 693871453 /nfs/dbraw/zinc/87/14/53/693871453.db2.gz ATYJPUAZMWUFTK-JSGCOSHPSA-N 0 3 302.340 2.133 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccn(CC)c1C)C2 ZINC001054182999 693873534 /nfs/dbraw/zinc/87/35/34/693873534.db2.gz WDABBSNXVVZOTI-IBGZPJMESA-N 0 3 313.445 2.378 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cnoc1CC)C2 ZINC001054205146 693881957 /nfs/dbraw/zinc/88/19/57/693881957.db2.gz LGMYMBHPDKYTDC-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCCCO1)C2 ZINC001054208563 693882963 /nfs/dbraw/zinc/88/29/63/693882963.db2.gz RFWYDSDIRPVDQS-PKOBYXMFSA-N 0 3 318.461 2.283 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(C2CC2)[nH]n1 ZINC000193470927 685041306 /nfs/dbraw/zinc/04/13/06/685041306.db2.gz JHQISCNKHATACH-LLVKDONJSA-N 0 3 324.340 2.257 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054316289 693926522 /nfs/dbraw/zinc/92/65/22/693926522.db2.gz QXJUULNQLJFRQZ-ABAIWWIYSA-N 0 3 321.371 2.382 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NCc1ccc(C#N)s1 ZINC001054322670 693930777 /nfs/dbraw/zinc/93/07/77/693930777.db2.gz UVAXSDKMYBVMGB-BXKDBHETSA-N 0 3 313.373 2.211 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000246612885 685133121 /nfs/dbraw/zinc/13/31/21/685133121.db2.gz SDYZFXSTKDPKGI-SDDRHHMPSA-N 0 3 306.312 2.302 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC000859250833 685690948 /nfs/dbraw/zinc/69/09/48/685690948.db2.gz OXXLWHSBDRUXPJ-UHFFFAOYSA-N 0 3 310.829 2.396 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054384268 693956222 /nfs/dbraw/zinc/95/62/22/693956222.db2.gz VUUSEIOWZNYAEY-IAQYHMDHSA-N 0 3 315.398 2.463 20 30 DEEDHN COC(=O)C1C[C@H](C)N(C[C@@H](O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000860187633 685898307 /nfs/dbraw/zinc/89/83/07/685898307.db2.gz GBYJFDBURPSBCY-GDZNZVCISA-N 0 3 316.401 2.254 20 30 DEEDHN COCC(COC)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000929516331 693971890 /nfs/dbraw/zinc/97/18/90/693971890.db2.gz MACGZBABEXEEAH-UHFFFAOYSA-N 0 3 304.390 2.063 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860462966 685930085 /nfs/dbraw/zinc/93/00/85/685930085.db2.gz ILGBAIJMMWCRRI-UONOGXRCSA-N 0 3 320.389 2.413 20 30 DEEDHN CCO[C@@H](C(=O)C(C#N)C(=O)Nc1cccc(C)c1)C1CC1 ZINC000860468414 685930683 /nfs/dbraw/zinc/93/06/83/685930683.db2.gz JSGRBSVSECBAQY-GOEBONIOSA-N 0 3 300.358 2.458 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000860473737 685931442 /nfs/dbraw/zinc/93/14/42/685931442.db2.gz RBKUJFOAULNHSI-BYNSBNAKSA-N 0 3 314.772 2.213 20 30 DEEDHN C=CCC1(C(=O)OC[C@@]2(C)C[C@H](OC)CN2C)CCOCC1 ZINC000861356662 686062054 /nfs/dbraw/zinc/06/20/54/686062054.db2.gz NNIFGCXGQQXNOG-GOEBONIOSA-N 0 3 311.422 2.012 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H](C)[C@H](NCc2ccccn2)C1 ZINC001054742143 694037279 /nfs/dbraw/zinc/03/72/79/694037279.db2.gz DHPBSAFGCPBACR-DOTOQJQBSA-N 0 3 324.428 2.319 20 30 DEEDHN COCCC(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001394810077 1158800637 /nfs/dbraw/zinc/80/06/37/1158800637.db2.gz CJWYUTIVLVJQCS-CQSZACIVSA-N 0 3 323.462 2.277 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(CCOC)CCC2)C1 ZINC001375519047 1158798325 /nfs/dbraw/zinc/79/83/25/1158798325.db2.gz OCSNCTGJVBALRX-OKILXGFUSA-N 0 3 314.857 2.430 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2cnn(CC)c2c1 ZINC000930025654 694073656 /nfs/dbraw/zinc/07/36/56/694073656.db2.gz NBRGULQOVLBEOX-UHFFFAOYSA-N 0 3 313.405 2.133 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000930040852 694076312 /nfs/dbraw/zinc/07/63/12/694076312.db2.gz WPDNDYCVEAUHMN-ZDUSSCGKSA-N 0 3 302.378 2.125 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(OC)ns2)C1 ZINC001054976058 694087275 /nfs/dbraw/zinc/08/72/75/694087275.db2.gz IHLBUGXLWINAML-DGCLKSJQSA-N 0 3 323.462 2.300 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001054971200 694084078 /nfs/dbraw/zinc/08/40/78/694084078.db2.gz MTHXTVCWEKYGTD-CZUORRHYSA-N 0 3 316.449 2.324 20 30 DEEDHN Cc1c(Cl)cccc1CNCCNC(=O)C1N=CC=CC1=O ZINC000865462195 687221173 /nfs/dbraw/zinc/22/11/73/687221173.db2.gz KMEPCZKYENXHER-FOCLMDBBSA-N 0 3 319.792 2.264 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001015790143 687422866 /nfs/dbraw/zinc/42/28/66/687422866.db2.gz DFJMYDRTBDHINI-ZDUSSCGKSA-N 0 3 319.380 2.164 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001015794511 687424251 /nfs/dbraw/zinc/42/42/51/687424251.db2.gz JPDYYYKJLKUHHF-MRXNPFEDSA-N 0 3 309.413 2.233 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001015886427 687452516 /nfs/dbraw/zinc/45/25/16/687452516.db2.gz CRQQPBLHJIFWLD-CQSZACIVSA-N 0 3 306.793 2.176 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001015933936 687470781 /nfs/dbraw/zinc/47/07/81/687470781.db2.gz JNWKNZSFHPGNFE-CQSZACIVSA-N 0 3 300.377 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001016130339 687531889 /nfs/dbraw/zinc/53/18/89/687531889.db2.gz GQINUZFXDTUYNJ-RDJZCZTQSA-N 0 3 300.402 2.415 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001016225519 687563196 /nfs/dbraw/zinc/56/31/96/687563196.db2.gz JCYKDCFAEYECLA-LJQANCHMSA-N 0 3 310.441 2.322 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)c1coc(C#N)c1 ZINC000866441160 687573912 /nfs/dbraw/zinc/57/39/12/687573912.db2.gz XVSAENHHSGMRLT-UHFFFAOYSA-N 0 3 303.387 2.417 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001016291454 687583280 /nfs/dbraw/zinc/58/32/80/687583280.db2.gz SSIFUKYVTHABGC-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016304086 687585917 /nfs/dbraw/zinc/58/59/17/687585917.db2.gz CRTOGWRYQBSILM-GXTWGEPZSA-N 0 3 306.356 2.282 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001016302930 687586110 /nfs/dbraw/zinc/58/61/10/687586110.db2.gz QRBPLLBJRVWMDY-VHDGCEQUSA-N 0 3 318.367 2.282 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCC(N2CN=NC2=O)CC1 ZINC000930284854 694127934 /nfs/dbraw/zinc/12/79/34/694127934.db2.gz GDKIALFTYVIHNA-UHFFFAOYSA-N 0 3 311.389 2.309 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC001016628360 687668211 /nfs/dbraw/zinc/66/82/11/687668211.db2.gz WTGIUGVWWSCOLX-CVEARBPZSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001016651485 687674627 /nfs/dbraw/zinc/67/46/27/687674627.db2.gz IKYJGEBJMVBEGZ-KGLIPLIRSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c[nH]c3ccccc23)CC1 ZINC001016713968 687688828 /nfs/dbraw/zinc/68/88/28/687688828.db2.gz DGWVQHMLGRJUAD-QGZVFWFLSA-N 0 3 307.397 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(C)onc2C2CC2)CC1 ZINC001016737732 687693826 /nfs/dbraw/zinc/69/38/26/687693826.db2.gz OUIQLPMPCNVNNQ-CQSZACIVSA-N 0 3 313.401 2.078 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001016746760 687694639 /nfs/dbraw/zinc/69/46/39/687694639.db2.gz JKUALKOQMKWUTM-YVSFHVDLSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(F)ccc2C)CC1 ZINC001016754212 687695827 /nfs/dbraw/zinc/69/58/27/687695827.db2.gz PLDGBVOAMLGMPF-INIZCTEOSA-N 0 3 300.377 2.352 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(c3cccnc3)CC2)CC1 ZINC001016786288 687701786 /nfs/dbraw/zinc/70/17/86/687701786.db2.gz OLBXSCLOMAERCX-QGZVFWFLSA-N 0 3 323.440 2.107 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2csc(C)n2)CC1 ZINC001016787451 687703034 /nfs/dbraw/zinc/70/30/34/687703034.db2.gz MSQBMDDUMVGLNM-AWEZNQCLSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2nccc3ccccc32)CC1 ZINC001016795512 687704560 /nfs/dbraw/zinc/70/45/60/687704560.db2.gz GZDHKWQAZXZUGF-QGZVFWFLSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(F)cc(F)cc2F)CC1 ZINC001016796630 687705134 /nfs/dbraw/zinc/70/51/34/687705134.db2.gz RPJZZABTULVUGP-CQSZACIVSA-N 0 3 322.330 2.321 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001016812285 687708346 /nfs/dbraw/zinc/70/83/46/687708346.db2.gz LZNMYRSNMQVERR-CYBMUJFWSA-N 0 3 305.809 2.276 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016836239 687713716 /nfs/dbraw/zinc/71/37/16/687713716.db2.gz MAWXNDGXIKBXSO-HRXXDUEESA-N 0 3 324.852 2.301 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2csc(Cl)n2)CC1 ZINC001016919950 687733689 /nfs/dbraw/zinc/73/36/89/687733689.db2.gz QIJFMBFUNWQBOE-LLVKDONJSA-N 0 3 309.822 2.014 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC001016919118 687733777 /nfs/dbraw/zinc/73/37/77/687733777.db2.gz LPVKSHGCRNUCCC-KRWDZBQOSA-N 0 3 311.429 2.111 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000930329712 694138649 /nfs/dbraw/zinc/13/86/49/694138649.db2.gz JIACLQVDYHJGDT-CYBMUJFWSA-N 0 3 301.390 2.171 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1cccnc1)C1CCCC1 ZINC000868026888 687881222 /nfs/dbraw/zinc/88/12/22/687881222.db2.gz NYWFJMCFPADVIP-IRXDYDNUSA-N 0 3 314.433 2.320 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)[nH]1 ZINC001017448235 687891716 /nfs/dbraw/zinc/89/17/16/687891716.db2.gz ZSFVTASSINHJEO-OKILXGFUSA-N 0 3 301.390 2.042 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C ZINC001017509815 687904827 /nfs/dbraw/zinc/90/48/27/687904827.db2.gz QJLGFMJSVPYHPL-NXOAAHMSSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1OC ZINC001017676345 687936977 /nfs/dbraw/zinc/93/69/77/687936977.db2.gz MRRGOTILMGUOPD-VVLHAWIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001017689179 687939506 /nfs/dbraw/zinc/93/95/06/687939506.db2.gz FUJPCZNVEPOBST-NCOADZHNSA-N 0 3 306.450 2.443 20 30 DEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000930434308 694161633 /nfs/dbraw/zinc/16/16/33/694161633.db2.gz PQKJHSIXTRZBTF-FZMZJTMJSA-N 0 3 304.781 2.379 20 30 DEEDHN COCC(COC)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000930467127 694168537 /nfs/dbraw/zinc/16/85/37/694168537.db2.gz NKZKZNBAKHUVCD-UHFFFAOYSA-N 0 3 322.380 2.202 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018723942 688217832 /nfs/dbraw/zinc/21/78/32/688217832.db2.gz ZQAXBHYDDLASMB-FZMZJTMJSA-N 0 3 303.431 2.356 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3ncccc3C)C2)cc1 ZINC001019223417 688302681 /nfs/dbraw/zinc/30/26/81/688302681.db2.gz WCOVKCPZLAEAPF-SFHVURJKSA-N 0 3 319.408 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001019624115 688382578 /nfs/dbraw/zinc/38/25/78/688382578.db2.gz WTYSCOMYMGPSCQ-LBPRGKRZSA-N 0 3 310.829 2.398 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccsc2C(F)(F)F)C1 ZINC001019707689 688397761 /nfs/dbraw/zinc/39/77/61/688397761.db2.gz RCPRKSVBEYYZRY-VIFPVBQESA-N 0 3 302.321 2.204 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001020079876 688460033 /nfs/dbraw/zinc/46/00/33/688460033.db2.gz JQQAFOCNIYDIME-KKUMJFAQSA-N 0 3 315.392 2.480 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@]2(O)CCCC(C)(C)CC2)CC1 ZINC000870016120 688460904 /nfs/dbraw/zinc/46/09/04/688460904.db2.gz MPCVASZVRCXMHT-LJQANCHMSA-N 0 3 320.477 2.169 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001020208393 688485057 /nfs/dbraw/zinc/48/50/57/688485057.db2.gz BEXZTOOFLSOCMU-HAQNSBGRSA-N 0 3 310.829 2.241 20 30 DEEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000870124678 688490314 /nfs/dbraw/zinc/49/03/14/688490314.db2.gz ZLSILTWRHFDDER-WDEREUQCSA-N 0 3 301.371 2.387 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001020247549 688490694 /nfs/dbraw/zinc/49/06/94/688490694.db2.gz SXSRHOVXTOWAPA-XYPYZODXSA-N 0 3 324.837 2.307 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001028765856 688543214 /nfs/dbraw/zinc/54/32/14/688543214.db2.gz HRCSXKGEOJRVMM-ZYSHUDEJSA-N 0 3 310.441 2.424 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC[C@H](C#N)CCC#N)C1 ZINC000872233572 688959396 /nfs/dbraw/zinc/95/93/96/688959396.db2.gz VAFXQJLVGUGZNK-MELADBBJSA-N 0 3 306.410 2.323 20 30 DEEDHN N#Cc1cc(C(=O)NCC2CN([C@H]3CCc4ccccc43)C2)c[nH]1 ZINC001031622811 688966293 /nfs/dbraw/zinc/96/62/93/688966293.db2.gz IQHLENVHMRASOF-SFHVURJKSA-N 0 3 320.396 2.235 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](OC2CCC2)CC1 ZINC000872276575 688971479 /nfs/dbraw/zinc/97/14/79/688971479.db2.gz LDLBOQXYTQBGHJ-HOCLYGCPSA-N 0 3 307.438 2.171 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001031713773 688984471 /nfs/dbraw/zinc/98/44/71/688984471.db2.gz FIJPWWFVGXOFTJ-UHFFFAOYSA-N 0 3 319.408 2.434 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001031798314 688999268 /nfs/dbraw/zinc/99/92/68/688999268.db2.gz HYMWUJBHLDTWRP-UHFFFAOYSA-N 0 3 313.376 2.300 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001031830154 689004080 /nfs/dbraw/zinc/00/40/80/689004080.db2.gz QHTYLQBYNXPKFB-UHFFFAOYSA-N 0 3 309.413 2.346 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC(C)(C)CO2)CC1 ZINC000872880640 689112331 /nfs/dbraw/zinc/11/23/31/689112331.db2.gz HNDXIXCCCGJEOT-OAHLLOKOSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(OC(C)C)CCC2)CC1 ZINC000872902707 689116411 /nfs/dbraw/zinc/11/64/11/689116411.db2.gz QIYHZWGNPHJUQU-UHFFFAOYSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001032440844 689152538 /nfs/dbraw/zinc/15/25/38/689152538.db2.gz XCQZOAMDWDDTLM-GJZGRUSLSA-N 0 3 313.401 2.139 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccnc2)CC1 ZINC001032580882 689193185 /nfs/dbraw/zinc/19/31/85/689193185.db2.gz CWGSXHRTTDLJHK-IRXDYDNUSA-N 0 3 311.429 2.365 20 30 DEEDHN Cn1ccnc1[C@@H](NCC1CCC(C#N)CC1)C(C)(C)CO ZINC000930902461 694266863 /nfs/dbraw/zinc/26/68/63/694266863.db2.gz SPNPTZJMPCWEBK-YMAMQOFZSA-N 0 3 304.438 2.399 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1COC ZINC001032679220 689222067 /nfs/dbraw/zinc/22/20/67/689222067.db2.gz JEUADXYHXZHQOH-ROUUACIJSA-N 0 3 314.429 2.237 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccccc12 ZINC001032687537 689225479 /nfs/dbraw/zinc/22/54/79/689225479.db2.gz LSVJNUHSQQMYNC-GJZGRUSLSA-N 0 3 310.401 2.199 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1cc(Cl)ccc1C ZINC000873497621 689258579 /nfs/dbraw/zinc/25/85/79/689258579.db2.gz NOAUZNBPMHHNCW-LBPRGKRZSA-N 0 3 306.749 2.038 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(CC)n1 ZINC001032800695 689265187 /nfs/dbraw/zinc/26/51/87/689265187.db2.gz VHAGDQZRMZWCLD-KBPBESRZSA-N 0 3 305.447 2.109 20 30 DEEDHN CC(C)N1C(=O)CC[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000873524591 689265273 /nfs/dbraw/zinc/26/52/73/689265273.db2.gz XLOKLRJLOBJEDE-LRDDRELGSA-N 0 3 322.368 2.205 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001033130847 689400194 /nfs/dbraw/zinc/40/01/94/689400194.db2.gz IOWQNNRHXDCCOO-KRWDZBQOSA-N 0 3 314.404 2.413 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ncoc2C(F)(F)F)C1 ZINC001033210487 689426098 /nfs/dbraw/zinc/42/60/98/689426098.db2.gz DILQIDAAUJDSEJ-SNVBAGLBSA-N 0 3 317.311 2.416 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033241138 689435284 /nfs/dbraw/zinc/43/52/84/689435284.db2.gz SJAUUSYNFXLLHV-INIZCTEOSA-N 0 3 301.434 2.294 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033242036 689436427 /nfs/dbraw/zinc/43/64/27/689436427.db2.gz HGGDSVNQQKDJAD-MRXNPFEDSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001033305646 689455609 /nfs/dbraw/zinc/45/56/09/689455609.db2.gz XYIZTIFRANACBJ-ZDUSSCGKSA-N 0 3 322.840 2.287 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001033371636 689480668 /nfs/dbraw/zinc/48/06/68/689480668.db2.gz BAFSLCKNENDKMX-QGZVFWFLSA-N 0 3 323.440 2.277 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874821065 689498987 /nfs/dbraw/zinc/49/89/87/689498987.db2.gz IQEYZIZYOIQALI-IRXDYDNUSA-N 0 3 308.385 2.348 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033452862 689504797 /nfs/dbraw/zinc/50/47/97/689504797.db2.gz PAJUXYFUFCTDDN-KRWDZBQOSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001033587161 689552714 /nfs/dbraw/zinc/55/27/14/689552714.db2.gz DIHZRNBRLMIVEU-YJBOKZPZSA-N 0 3 314.429 2.407 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001033607114 689557163 /nfs/dbraw/zinc/55/71/63/689557163.db2.gz MZIPCLHMTNOAKW-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001033624860 689563955 /nfs/dbraw/zinc/56/39/55/689563955.db2.gz PXSAARGZSRHISG-AEFFLSMTSA-N 0 3 312.413 2.204 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sc(COC)nc2C)C1 ZINC001033626824 689564577 /nfs/dbraw/zinc/56/45/77/689564577.db2.gz FWOXBGJACXWYFN-CYBMUJFWSA-N 0 3 323.462 2.320 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(C)nc2C(C)C)C1 ZINC001033652413 689572000 /nfs/dbraw/zinc/57/20/00/689572000.db2.gz IBZCJYGZHWNSSI-AWEZNQCLSA-N 0 3 304.438 2.266 20 30 DEEDHN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000875106444 689572345 /nfs/dbraw/zinc/57/23/45/689572345.db2.gz STOPSTYNKROTGF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(COC)cc2)C1 ZINC001033651132 689572596 /nfs/dbraw/zinc/57/25/96/689572596.db2.gz OODNYUSVYKWWJI-QGZVFWFLSA-N 0 3 300.402 2.003 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001034011767 689692536 /nfs/dbraw/zinc/69/25/36/689692536.db2.gz LKJHOYLCIGVPRA-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccccc2OC)C1 ZINC001034026708 689698083 /nfs/dbraw/zinc/69/80/83/689698083.db2.gz XOIDZITZJWJQKO-HNNXBMFYSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccnc2OCC)C1 ZINC001034029424 689699007 /nfs/dbraw/zinc/69/90/07/689699007.db2.gz PTGVXSSWYGEVFA-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034047066 689705309 /nfs/dbraw/zinc/70/53/09/689705309.db2.gz XZXNPUNPDMVYRD-GDBMZVCRSA-N 0 3 316.449 2.014 20 30 DEEDHN CC(C)=CCN1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165185 689751470 /nfs/dbraw/zinc/75/14/70/689751470.db2.gz VDMNKLYLQYGTLO-HNNXBMFYSA-N 0 3 300.406 2.437 20 30 DEEDHN C#CCN1CCCC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001034290625 689798106 /nfs/dbraw/zinc/79/81/06/689798106.db2.gz JQLZXSPUPMFYCG-LBPRGKRZSA-N 0 3 320.824 2.158 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001034303051 689801387 /nfs/dbraw/zinc/80/13/87/689801387.db2.gz ARPXIBBNFBHVKY-INIZCTEOSA-N 0 3 324.428 2.479 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001034305474 689802798 /nfs/dbraw/zinc/80/27/98/689802798.db2.gz IZBZRAUTWUIZBL-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001034338165 689814360 /nfs/dbraw/zinc/81/43/60/689814360.db2.gz BFUHRYKYVIDMPO-FUHWJXTLSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001034422397 689843703 /nfs/dbraw/zinc/84/37/03/689843703.db2.gz FDFVSXWAVVCGLC-HNNXBMFYSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034438742 689850657 /nfs/dbraw/zinc/85/06/57/689850657.db2.gz PQHFSKFCCZTMJZ-CQSZACIVSA-N 0 3 303.406 2.406 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000876552114 689853727 /nfs/dbraw/zinc/85/37/27/689853727.db2.gz JQXMRPHTEQQSCA-NSHDSACASA-N 0 3 311.769 2.062 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOc1ccc(OC)cc1 ZINC000876560304 689856918 /nfs/dbraw/zinc/85/69/18/689856918.db2.gz JYQUYUWTEAXMJT-AWEZNQCLSA-N 0 3 312.797 2.002 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000876572456 689861590 /nfs/dbraw/zinc/86/15/90/689861590.db2.gz DOTIXHPDPANSOE-HNNXBMFYSA-N 0 3 318.808 2.001 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000876586151 689866828 /nfs/dbraw/zinc/86/68/28/689866828.db2.gz FXJFABDNVNDNOT-WCQYABFASA-N 0 3 324.808 2.323 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001034481952 689867563 /nfs/dbraw/zinc/86/75/63/689867563.db2.gz GBPAPDYYHVZTEN-INIZCTEOSA-N 0 3 302.422 2.072 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCOC)cc1C ZINC000876591851 689868496 /nfs/dbraw/zinc/86/84/96/689868496.db2.gz AQOFBSRBIGINLT-ZDUSSCGKSA-N 0 3 312.797 2.429 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1ccc(OC)cc1 ZINC000876593123 689869298 /nfs/dbraw/zinc/86/92/98/689869298.db2.gz LSKUDXKPDCOOFT-FZMZJTMJSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034487894 689870391 /nfs/dbraw/zinc/87/03/91/689870391.db2.gz SRVLWPTYHZQOEJ-GDBMZVCRSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000876603358 689872782 /nfs/dbraw/zinc/87/27/82/689872782.db2.gz QNFJMDXKMSEAAQ-CQSZACIVSA-N 0 3 323.824 2.463 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000876620606 689878760 /nfs/dbraw/zinc/87/87/60/689878760.db2.gz QNVRMSRNQATXCM-VHDGCEQUSA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)ccc1OCCOC ZINC000876626791 689880879 /nfs/dbraw/zinc/88/08/79/689880879.db2.gz IXIKSVFHURJJNU-NSHDSACASA-N 0 3 316.760 2.259 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001034539996 689892057 /nfs/dbraw/zinc/89/20/57/689892057.db2.gz DGUPQNOQUBYMHT-ZDUSSCGKSA-N 0 3 315.373 2.304 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000876668700 689895185 /nfs/dbraw/zinc/89/51/85/689895185.db2.gz OCELUWLWSXLROR-LSDHHAIUSA-N 0 3 308.809 2.365 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000876676386 689898532 /nfs/dbraw/zinc/89/85/32/689898532.db2.gz XRGVQYCPJFPLIK-UONOGXRCSA-N 0 3 310.781 2.263 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000876705140 689909240 /nfs/dbraw/zinc/90/92/40/689909240.db2.gz WSNVCSPPGUKPRX-JKSUJKDBSA-N 0 3 322.836 2.317 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCN1CCc2ccccc21 ZINC000876724290 689916316 /nfs/dbraw/zinc/91/63/16/689916316.db2.gz SHVIJTKRJDZVMW-AWEZNQCLSA-N 0 3 307.825 2.025 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(c2ccccc2)CC1 ZINC000876733574 689919698 /nfs/dbraw/zinc/91/96/98/689919698.db2.gz BGADGLCCNIPEGT-HNNXBMFYSA-N 0 3 307.825 2.195 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000876875993 689961541 /nfs/dbraw/zinc/96/15/41/689961541.db2.gz HCZUHUNEYNSIHT-HUUCEWRRSA-N 0 3 323.824 2.059 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(Cl)cccc1OC ZINC000876879897 689962249 /nfs/dbraw/zinc/96/22/49/689962249.db2.gz DOKOVRYERVYLLI-LLVKDONJSA-N 0 3 303.189 2.435 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000876881298 689963236 /nfs/dbraw/zinc/96/32/36/689963236.db2.gz DYKRIFSOKYVDFI-HOTGVXAUSA-N 0 3 322.836 2.317 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000876899403 689968122 /nfs/dbraw/zinc/96/81/22/689968122.db2.gz XDHHMPAYALIMMS-CYBMUJFWSA-N 0 3 321.808 2.394 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)c2cnco2)s1 ZINC001035005938 690007941 /nfs/dbraw/zinc/00/79/41/690007941.db2.gz JCLGRYAMBAHNEI-LLVKDONJSA-N 0 3 316.386 2.002 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CNCc2cnc(C)nc2)C1 ZINC001035044869 690020058 /nfs/dbraw/zinc/02/00/58/690020058.db2.gz PCYIOHFZDBPULP-MRXNPFEDSA-N 0 3 314.433 2.222 20 30 DEEDHN C#CCCCCCC[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F ZINC000877148546 690030544 /nfs/dbraw/zinc/03/05/44/690030544.db2.gz NMWVKPPQYIWDJW-AWEZNQCLSA-N 0 3 317.355 2.343 20 30 DEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(OC)c1OC ZINC000877228711 690050579 /nfs/dbraw/zinc/05/05/79/690050579.db2.gz CPDVNLRSTGYYJM-UONOGXRCSA-N 0 3 319.405 2.292 20 30 DEEDHN C#C[C@@H](C)NCc1cn(CC(=O)OCC)nc1-c1ccccc1 ZINC000877513853 690136869 /nfs/dbraw/zinc/13/68/69/690136869.db2.gz DZAFKASZQYQEAB-CQSZACIVSA-N 0 3 311.385 2.225 20 30 DEEDHN C#C[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)C(C)(C)C ZINC000877535183 690144129 /nfs/dbraw/zinc/14/41/29/690144129.db2.gz XBZVWGUNNVQMAZ-CYBMUJFWSA-N 0 3 314.838 2.125 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC[C@@H]1CCOC1)CC2 ZINC001035681350 690150525 /nfs/dbraw/zinc/15/05/25/690150525.db2.gz SLIDOXCQKQJNOW-MRXNPFEDSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccncc1C)CC2 ZINC001035705105 690156842 /nfs/dbraw/zinc/15/68/42/690156842.db2.gz UKMJSZNVQXCJTN-UHFFFAOYSA-N 0 3 313.445 2.433 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccnn1CCC)CC2 ZINC001035717471 690159412 /nfs/dbraw/zinc/15/94/12/690159412.db2.gz YVJJNYVQXHMWSB-UHFFFAOYSA-N 0 3 316.449 2.407 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cnccc1C)CC2 ZINC001035724502 690161699 /nfs/dbraw/zinc/16/16/99/690161699.db2.gz JKVBVYJCQCQRAP-UHFFFAOYSA-N 0 3 313.445 2.433 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cn(C)nc1CC)CC2 ZINC001035727550 690162167 /nfs/dbraw/zinc/16/21/67/690162167.db2.gz AICJLUBPZWGUHL-UHFFFAOYSA-N 0 3 316.449 2.097 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(Cl)cn1C)CC2 ZINC001035747583 690166898 /nfs/dbraw/zinc/16/68/98/690166898.db2.gz SRFGESACBJXIPK-UHFFFAOYSA-N 0 3 319.836 2.240 20 30 DEEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000877617732 690168925 /nfs/dbraw/zinc/16/89/25/690168925.db2.gz UDWAILDBACQPIM-RWMBFGLXSA-N 0 3 322.840 2.194 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]1(C)CCO[C@@H]1C)CC2 ZINC001035760252 690169919 /nfs/dbraw/zinc/16/99/19/690169919.db2.gz MPZQATCWRFRVRD-NVXWUHKLSA-N 0 3 306.450 2.302 20 30 DEEDHN COc1ccc(N2CC[C@H](NCc3cccc(C#N)n3)C2)cc1 ZINC000877620440 690170131 /nfs/dbraw/zinc/17/01/31/690170131.db2.gz IPNNPQJZCOLOHM-INIZCTEOSA-N 0 3 308.385 2.330 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc3c1OCC3)CC2 ZINC001035802910 690180499 /nfs/dbraw/zinc/18/04/99/690180499.db2.gz UNJVJORCEFLZQN-UHFFFAOYSA-N 0 3 324.424 2.183 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnoc1CC)CC2 ZINC001035809032 690182378 /nfs/dbraw/zinc/18/23/78/690182378.db2.gz IXUSGKKUEKPAHB-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]cn1)CC2 ZINC001035815763 690184024 /nfs/dbraw/zinc/18/40/24/690184024.db2.gz XNVMSYDMRHYNRZ-HNNXBMFYSA-N 0 3 316.449 2.089 20 30 DEEDHN CCOC(=O)/C=C\CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000931259067 694349992 /nfs/dbraw/zinc/34/99/92/694349992.db2.gz WLOOHWKNFHJYDE-ARJAWSKDSA-N 0 3 314.385 2.273 20 30 DEEDHN C[C@@H]1CN(C(=O)C(F)F)CC[C@H]1NCc1ccccc1C#N ZINC001035870373 690199312 /nfs/dbraw/zinc/19/93/12/690199312.db2.gz ZBLWRMDBPAQQSX-BXUZGUMPSA-N 0 3 307.344 2.150 20 30 DEEDHN Cc1oncc1CNC[C@H]1[C@@H](C)CCCN1C(=O)C#CC1CC1 ZINC001036550313 690383262 /nfs/dbraw/zinc/38/32/62/690383262.db2.gz SBQVLCNNXWMFSQ-GUYCJALGSA-N 0 3 315.417 2.113 20 30 DEEDHN CC(=O)N1CC[C@@H]2[C@H](CCN2CC#Cc2ccc(F)cc2)C1 ZINC001036605425 690396085 /nfs/dbraw/zinc/39/60/85/690396085.db2.gz TXUAGDFZKPNSGF-SJLPKXTDSA-N 0 3 300.377 2.120 20 30 DEEDHN N#CCc1cccc2c1CCN(C[C@H](O)CCC1(O)CCC1)C2 ZINC000931332755 694370690 /nfs/dbraw/zinc/37/06/90/694370690.db2.gz LLRSOJPJKQBLCX-QGZVFWFLSA-N 0 3 314.429 2.167 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000878640475 690463186 /nfs/dbraw/zinc/46/31/86/690463186.db2.gz ILUQNEBDDKRHEB-NZSAHSFTSA-N 0 3 311.429 2.063 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H](C)C[C@H](CO)C1)c1ccccc1 ZINC000878721325 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C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@@H](CC)C1 ZINC001037905334 690637378 /nfs/dbraw/zinc/63/73/78/690637378.db2.gz NFEBBSQFVBSTRJ-GOEBONIOSA-N 0 3 318.465 2.349 20 30 DEEDHN N#CC1(NC(=O)CN[C@@H]2CC=CC[C@H]2C(F)(F)F)CCC1 ZINC000879672764 690703498 /nfs/dbraw/zinc/70/34/98/690703498.db2.gz VFXFUKUWWUMBCU-GHMZBOCLSA-N 0 3 301.312 2.036 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](c2ccccc2OC)CC1 ZINC000879728832 690715644 /nfs/dbraw/zinc/71/56/44/690715644.db2.gz XYDJSRNENFGVKK-JKSUJKDBSA-N 0 3 314.429 2.403 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)c1ccco1 ZINC000879926497 690755782 /nfs/dbraw/zinc/75/57/82/690755782.db2.gz UGZQOXQDCBYJFP-JJRVBVJISA-N 0 3 319.405 2.145 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038252571 690758383 /nfs/dbraw/zinc/75/83/83/690758383.db2.gz HEOFPDFFKACMQC-AWEZNQCLSA-N 0 3 304.438 2.314 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ncnc2ccsc21 ZINC001038326725 690782051 /nfs/dbraw/zinc/78/20/51/690782051.db2.gz 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ZINC001042308959 691564829 /nfs/dbraw/zinc/56/48/29/691564829.db2.gz IBMWQBIWJDTYDI-UKRRQHHQSA-N 0 3 316.449 2.430 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)C[C@@H]21 ZINC001042311501 691565379 /nfs/dbraw/zinc/56/53/79/691565379.db2.gz KMDHFHKCSQKJSR-ZBFHGGJFSA-N 0 3 302.422 2.186 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn(C(C)C)c3)C[C@@H]21 ZINC001042311500 691565791 /nfs/dbraw/zinc/56/57/91/691565791.db2.gz KMDHFHKCSQKJSR-HOCLYGCPSA-N 0 3 302.422 2.186 20 30 DEEDHN C#CC1(F)CN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000883691715 691565888 /nfs/dbraw/zinc/56/58/88/691565888.db2.gz NPDNUZYWCFCAHG-STQMWFEESA-N 0 3 307.369 2.076 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3nn(C)c4ccccc43)C[C@@H]21 ZINC001042319136 691568181 /nfs/dbraw/zinc/56/81/81/691568181.db2.gz IPFSJOYCCACTNJ-YOEHRIQHSA-N 0 3 324.428 2.296 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)Cc3sc(C)cc3C)C[C@@H]21 ZINC001042333488 691573033 /nfs/dbraw/zinc/57/30/33/691573033.db2.gz BGZWVMZPYXEFPX-HOTGVXAUSA-N 0 3 316.470 2.463 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cncnc3C3CC3)C[C@@H]21 ZINC001042334221 691573772 /nfs/dbraw/zinc/57/37/72/691573772.db2.gz SDEKLOVYEQZUOD-CJNGLKHVSA-N 0 3 312.417 2.076 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)CC(C3CC3)C3CC3)C[C@@H]21 ZINC001042370454 691584991 /nfs/dbraw/zinc/58/49/91/691584991.db2.gz DNLGMDCMHBPJDT-WMZOPIPTSA-N 0 3 300.446 2.369 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@@H]21 ZINC001042373146 691585729 /nfs/dbraw/zinc/58/57/29/691585729.db2.gz FGFYULQANRVZPI-KHQOANHYSA-N 0 3 300.446 2.387 20 30 DEEDHN CSc1ccccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047016 691640504 /nfs/dbraw/zinc/64/05/04/691640504.db2.gz AJKAUEOIFWRXOI-BWBHSNQOSA-N 0 3 301.415 2.486 20 30 DEEDHN COc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Cl ZINC000884048017 691641183 /nfs/dbraw/zinc/64/11/83/691641183.db2.gz UXWDJCLNYSYYLZ-CSJGVYOVSA-N 0 3 319.792 2.426 20 30 DEEDHN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884126126 691660842 /nfs/dbraw/zinc/66/08/42/691660842.db2.gz RUKWRSHZQHHCOC-BFKWJSRZSA-N 0 3 303.450 2.457 20 30 DEEDHN Cc1ccc2c(c1)[C@H](NC(=O)C1CC3(C1)CNC[C@H]3C#N)CC2 ZINC000884129213 691661245 /nfs/dbraw/zinc/66/12/45/691661245.db2.gz ASFDNYMKDBRXII-QXCFYTAISA-N 0 3 309.413 2.238 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC1(c3cccc(F)c3)CC1)C2 ZINC000884150339 691667528 /nfs/dbraw/zinc/66/75/28/691667528.db2.gz JGDHTXFFPGLDRO-KDJCLPLCSA-N 0 3 313.376 2.070 20 30 DEEDHN CC1(C)CN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)c2ccccc21 ZINC000884157897 691669501 /nfs/dbraw/zinc/66/95/01/691669501.db2.gz MKOXJNGMTXRERE-BIWSTMPVSA-N 0 3 309.413 2.450 20 30 DEEDHN Cc1nc2ccc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)cc2o1 ZINC000884183986 691677095 /nfs/dbraw/zinc/67/70/95/691677095.db2.gz BYYBKHLDUXXDAS-VMBJYNEYSA-N 0 3 310.357 2.214 20 30 DEEDHN CC[C@](C)(NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1nccs1 ZINC000884225366 691686781 /nfs/dbraw/zinc/68/67/81/691686781.db2.gz PQLMQUZLCRZCTK-MJVOBMLWSA-N 0 3 318.446 2.024 20 30 DEEDHN CCCc1csc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)n1 ZINC000884330329 691711610 /nfs/dbraw/zinc/71/16/10/691711610.db2.gz KOCUIYNVUNJFBM-LOIXOFCESA-N 0 3 304.419 2.173 20 30 DEEDHN Cc1ccccc1C1(NC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884372726 691722024 /nfs/dbraw/zinc/72/20/24/691722024.db2.gz SRZQWGRAOYQTOZ-SWKXRBFHSA-N 0 3 309.413 2.240 20 30 DEEDHN C=C(C)CCN1CC(N(C)C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC001043622799 691725637 /nfs/dbraw/zinc/72/56/37/691725637.db2.gz QSLQVQSKTLWMSI-CJNGLKHVSA-N 0 3 316.449 2.184 20 30 DEEDHN C[C@H]1C[C@H](CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)C[C@@H](C)C1 ZINC000884401430 691729625 /nfs/dbraw/zinc/72/96/25/691729625.db2.gz PNCLIDSFLAKMCK-MJPNQGLVSA-N 0 3 303.450 2.314 20 30 DEEDHN CC1(C)CN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)[C@@H]1c1ccncc1 ZINC000884424104 691735824 /nfs/dbraw/zinc/73/58/24/691735824.db2.gz OGTFHKYJCULDLP-YJTLQXIOSA-N 0 3 324.428 2.130 20 30 DEEDHN Cc1cccc([C@@H]2CCCN2C(=O)C2CC3(C2)CNC[C@@H]3C#N)n1 ZINC000884425814 691735966 /nfs/dbraw/zinc/73/59/66/691735966.db2.gz SLDFEYHLVJZIKK-QZDWLRDRSA-N 0 3 324.428 2.193 20 30 DEEDHN COc1cc(C)cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1C ZINC000884461397 691743211 /nfs/dbraw/zinc/74/32/11/691743211.db2.gz DMFHTTAWYVPGCK-TXKKKEFDSA-N 0 3 313.401 2.390 20 30 DEEDHN C=C(C)CN1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001044330060 691807830 /nfs/dbraw/zinc/80/78/30/691807830.db2.gz RKDHKZNOFWVDRI-UHFFFAOYSA-N 0 3 301.434 2.081 20 30 DEEDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885123410 691850501 /nfs/dbraw/zinc/85/05/01/691850501.db2.gz NJPVKDQCWMFPRG-AWEZNQCLSA-N 0 3 323.462 2.151 20 30 DEEDHN Cc1nc(CN[C@H]2CCN(C(=O)C#CC3CC3)[C@H](C)C2)cs1 ZINC001044594252 691855287 /nfs/dbraw/zinc/85/52/87/691855287.db2.gz RSESNCCEVKITAA-DOMZBBRYSA-N 0 3 317.458 2.334 20 30 DEEDHN C#Cc1ccc(NC(=O)c2ccnn2CCN(C)C)c(Cl)c1 ZINC000885669856 691927493 /nfs/dbraw/zinc/92/74/93/691927493.db2.gz OLPBYOQOPURYEA-UHFFFAOYSA-N 0 3 316.792 2.332 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC001045454360 691983669 /nfs/dbraw/zinc/98/36/69/691983669.db2.gz RPWHQOLQJLIWIX-UHFFFAOYSA-N 0 3 304.438 2.408 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)c2ccnn2[C@@H](C)CC)CC1 ZINC001045454051 691983703 /nfs/dbraw/zinc/98/37/03/691983703.db2.gz ZIUUNMNGRRJBJC-HNNXBMFYSA-N 0 3 316.449 2.462 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2nncc3ccccc32)CC1 ZINC001045500654 691989946 /nfs/dbraw/zinc/98/99/46/691989946.db2.gz BPVBOTOPDURCTO-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001045638607 692008798 /nfs/dbraw/zinc/00/87/98/692008798.db2.gz IWACCVAZBVZKCG-UHFFFAOYSA-N 0 3 316.401 2.228 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000886210896 692024608 /nfs/dbraw/zinc/02/46/08/692024608.db2.gz DTRJQRKVZVLICM-CQSZACIVSA-N 0 3 302.809 2.175 20 30 DEEDHN C#CCN1CCC[C@H](NCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000886211489 692025137 /nfs/dbraw/zinc/02/51/37/692025137.db2.gz QLQBTLWXHLRXFF-ZFWWWQNUSA-N 0 3 305.447 2.182 20 30 DEEDHN N#Cc1sccc1N1CCN(C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886274122 692042457 /nfs/dbraw/zinc/04/24/57/692042457.db2.gz MQXVELBKRATNPI-BBRMVZONSA-N 0 3 303.431 2.168 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCCCO1)C2 ZINC001045927803 692054224 /nfs/dbraw/zinc/05/42/24/692054224.db2.gz MDNWMOCARQFRQZ-IEBWSBKVSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ncccc1C)C2 ZINC001045931014 692055223 /nfs/dbraw/zinc/05/52/23/692055223.db2.gz RCODVJYYWYZKPG-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCOCC1)C2 ZINC001045933699 692056374 /nfs/dbraw/zinc/05/63/74/692056374.db2.gz GFFCWQMGCCJOHH-PKOBYXMFSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC1(F)F)C2 ZINC001045948307 692060542 /nfs/dbraw/zinc/06/05/42/692060542.db2.gz XYIJSYHLDBSHIL-GDBMZVCRSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](OC)C(C)C)C2 ZINC001045966087 692064821 /nfs/dbraw/zinc/06/48/21/692064821.db2.gz ZQBFFXNPLQZPQS-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ccc(OC)o1)C2 ZINC001045977630 692067832 /nfs/dbraw/zinc/06/78/32/692067832.db2.gz WPKNMCQSQYQVFR-SFHVURJKSA-N 0 3 316.401 2.240 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C3=CCCCCC3)CC2)C1 ZINC001046021701 692075376 /nfs/dbraw/zinc/07/53/76/692075376.db2.gz DJSLRAQEGFVHSG-SFHVURJKSA-N 0 3 317.477 2.281 20 30 DEEDHN C#CCN(C(=O)c1cc(Cl)nc(CC)c1)C1CCN(C)CC1 ZINC000886571339 692113237 /nfs/dbraw/zinc/11/32/37/692113237.db2.gz RVVALTCICMODEG-UHFFFAOYSA-N 0 3 319.836 2.467 20 30 DEEDHN C#CCN(C(=O)c1ccc2cccnc2c1)C1CCN(C)CC1 ZINC000886572204 692113588 /nfs/dbraw/zinc/11/35/88/692113588.db2.gz CFYUZCCASIJGTO-UHFFFAOYSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN(C(=O)c1cc(F)c(C#N)c(F)c1)C1CCN(C)CC1 ZINC000886574673 692113890 /nfs/dbraw/zinc/11/38/90/692113890.db2.gz OJXXWFXHFVRHST-UHFFFAOYSA-N 0 3 317.339 2.006 20 30 DEEDHN C#CCN(C(=O)c1cc(C)nc(Cl)c1)C1CCN(C)CC1 ZINC000886577268 692114985 /nfs/dbraw/zinc/11/49/85/692114985.db2.gz BYBMNLWKVKIACJ-UHFFFAOYSA-N 0 3 305.809 2.213 20 30 DEEDHN C#CCN(C(=O)C[C@@H](C)c1c(C)noc1C)C1CCN(C)CC1 ZINC000886579894 692117092 /nfs/dbraw/zinc/11/70/92/692117092.db2.gz MNTINFSIXNZORU-CYBMUJFWSA-N 0 3 317.433 2.341 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001046314500 692149131 /nfs/dbraw/zinc/14/91/31/692149131.db2.gz LLJSPCLOLYRCHS-KRWDZBQOSA-N 0 3 304.438 2.379 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cn(-c3ccccc3)cn2)C1 ZINC001046336475 692156942 /nfs/dbraw/zinc/15/69/42/692156942.db2.gz SCEYPMRCILTTAZ-LJQANCHMSA-N 0 3 322.412 2.090 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886682660 692160147 /nfs/dbraw/zinc/16/01/47/692160147.db2.gz MNBYQUCRSLFCBZ-IAGOWNOFSA-N 0 3 308.385 2.261 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001046350593 692161701 /nfs/dbraw/zinc/16/17/01/692161701.db2.gz IMVVXUDIQJZJIQ-HNNXBMFYSA-N 0 3 312.364 2.357 20 30 DEEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc2c(=O)[nH]ccn12 ZINC000886705882 692167257 /nfs/dbraw/zinc/16/72/57/692167257.db2.gz DQQKDTWGXRFXLJ-OAHLLOKOSA-N 0 3 323.400 2.085 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001046378032 692172219 /nfs/dbraw/zinc/17/22/19/692172219.db2.gz RQJRMBCYDUFNKE-GOSISDBHSA-N 0 3 317.408 2.109 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001046391095 692174569 /nfs/dbraw/zinc/17/45/69/692174569.db2.gz JKWIKYJQJJVSGH-GOSISDBHSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCC1(O)CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000886757363 692183834 /nfs/dbraw/zinc/18/38/34/692183834.db2.gz DZELNBRGAGFOCL-MRXNPFEDSA-N 0 3 305.418 2.138 20 30 DEEDHN C=CCC1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886763899 692185940 /nfs/dbraw/zinc/18/59/40/692185940.db2.gz HEQQIGKYIMHGJZ-UHFFFAOYSA-N 0 3 306.362 2.377 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886819578 692199724 /nfs/dbraw/zinc/19/97/24/692199724.db2.gz 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C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001051752085 693388468 /nfs/dbraw/zinc/38/84/68/693388468.db2.gz CYNHWEYWEFPVTH-MRXNPFEDSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052007764 693427588 /nfs/dbraw/zinc/42/75/88/693427588.db2.gz AEAWPHKTTYNYDN-HFLUPCSWSA-N 0 3 305.466 2.137 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001052112041 693443713 /nfs/dbraw/zinc/44/37/13/693443713.db2.gz KMJDWACZXHWQMQ-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C[C@H](CC(C)(C)C#N)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000926498767 693462790 /nfs/dbraw/zinc/46/27/90/693462790.db2.gz GYJMMZWEXUNMQV-OLZOCXBDSA-N 0 3 306.431 2.475 20 30 DEEDHN C[C@@H](CC(C)(C)C#N)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC000926885133 693524545 /nfs/dbraw/zinc/52/45/45/693524545.db2.gz MOPYRXSLNADGMA-NSHDSACASA-N 0 3 306.410 2.122 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccn(CC(C)C)n2)CC1 ZINC001052421230 693530449 /nfs/dbraw/zinc/53/04/49/693530449.db2.gz 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/nfs/dbraw/zinc/57/08/66/693570866.db2.gz VJYTWLPUJZKQQH-AWEZNQCLSA-N 0 3 311.385 2.435 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C2(c3cc(C)no3)CC2)CC1 ZINC001052658511 693590319 /nfs/dbraw/zinc/59/03/19/693590319.db2.gz PTJUYMPPFKVOAN-HNNXBMFYSA-N 0 3 315.417 2.009 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC001052659560 693591138 /nfs/dbraw/zinc/59/11/38/693591138.db2.gz OVEUCQQOQNBGOY-WBVHZDCISA-N 0 3 300.377 2.069 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2conc2C2CC2)CC1 ZINC001052698170 693598514 /nfs/dbraw/zinc/59/85/14/693598514.db2.gz GFMYRKPJLARCFS-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)CC1 ZINC001052712659 693600798 /nfs/dbraw/zinc/60/07/98/693600798.db2.gz MQPOGZIIZLBGQM-QGZVFWFLSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCCN(CC#CC)CC2)cc1 ZINC001052771671 693616934 /nfs/dbraw/zinc/61/69/34/693616934.db2.gz NLKWEXXUJIZWRJ-SFHVURJKSA-N 0 3 324.424 2.306 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2c(C)noc2Cl)CC1 ZINC001052789777 693619913 /nfs/dbraw/zinc/61/99/13/693619913.db2.gz DITBSDHLNKNWAT-CYBMUJFWSA-N 0 3 323.824 2.173 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(OC)c2F)CC1 ZINC001052813224 693624071 /nfs/dbraw/zinc/62/40/71/693624071.db2.gz FQVVXKHLVNNTOD-CYBMUJFWSA-N 0 3 304.365 2.052 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3ccncc3c2)CC1 ZINC001052843108 693631742 /nfs/dbraw/zinc/63/17/42/693631742.db2.gz BPLYMYACUDYYEC-GOSISDBHSA-N 0 3 307.397 2.452 20 30 DEEDHN CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001052858300 693634760 /nfs/dbraw/zinc/63/47/60/693634760.db2.gz BRAZFIPZEMMMOC-IAGOWNOFSA-N 0 3 320.481 2.135 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cn(C(C)C)nc2C)CC1 ZINC001052863562 693636285 /nfs/dbraw/zinc/63/62/85/693636285.db2.gz PUIKEPCCPQAAGP-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(COC)c(F)c2)CC1 ZINC001052893328 693642759 /nfs/dbraw/zinc/64/27/59/693642759.db2.gz WTRVXWPUAFMXCD-INIZCTEOSA-N 0 3 318.392 2.190 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cn(C)nc2C(C)C)CC1 ZINC001052929580 693650697 /nfs/dbraw/zinc/65/06/97/693650697.db2.gz MJNPBYBSLGLAAH-OAHLLOKOSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2coc(C)n2)C1 ZINC001053076743 693684774 /nfs/dbraw/zinc/68/47/74/693684774.db2.gz SQXUNBVXYGASNY-WBVHZDCISA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001053081626 693685806 /nfs/dbraw/zinc/68/58/06/693685806.db2.gz WTUGWGZUSWNWHI-QAPCUYQASA-N 0 3 324.428 2.226 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NC/C=C/Cl)C[C@@H]2C)cn1 ZINC001332047079 1149812630 /nfs/dbraw/zinc/81/26/30/1149812630.db2.gz IJGFTLRSAZYJCI-NEORSZAFSA-N 0 3 303.793 2.008 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@@H]1C ZINC001332217771 1149836480 /nfs/dbraw/zinc/83/64/80/1149836480.db2.gz IOTZXDUKJKZEOH-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1ccc(C)c(OC[C@@H](O)CNCC#C[C@H]2CCCCO2)c1 ZINC001335485614 1150431658 /nfs/dbraw/zinc/43/16/58/1150431658.db2.gz MYMNZPDNINBRTQ-ZWKOTPCHSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccc(C(=O)OC)cc2C1 ZINC001343571695 1150753661 /nfs/dbraw/zinc/75/36/61/1150753661.db2.gz GLZNVRPGHNCTFH-MRXNPFEDSA-N 0 3 316.401 2.042 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCNc1ccc2ccccc2n1 ZINC001354122184 1151872858 /nfs/dbraw/zinc/87/28/58/1151872858.db2.gz HQSUBXSWTVBPDE-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C)C2)n1CC(=C)C ZINC001356558233 1152089536 /nfs/dbraw/zinc/08/95/36/1152089536.db2.gz WUDXJJCKVLZHTM-LSDHHAIUSA-N 0 3 301.438 2.121 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC001357193017 1152267195 /nfs/dbraw/zinc/26/71/95/1152267195.db2.gz YSZSQUXTNOFOQG-NWDGAFQWSA-N 0 3 308.344 2.240 20 30 DEEDHN N#CC(C(=O)CCn1cccn1)c1nccn1Cc1ccccc1 ZINC001357544904 1152310490 /nfs/dbraw/zinc/31/04/90/1152310490.db2.gz SOUHDITTXMUPBW-INIZCTEOSA-N 0 3 319.368 2.394 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001379846247 1152703528 /nfs/dbraw/zinc/70/35/28/1152703528.db2.gz DCWCGWGGVYMMBW-MEBBXXQBSA-N 0 3 307.344 2.109 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)CCCF)C2CC2)c(F)c1 ZINC001379891989 1152709461 /nfs/dbraw/zinc/70/94/61/1152709461.db2.gz BJSNHZQGWSBKGB-INIZCTEOSA-N 0 3 321.371 2.431 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC001362845959 1153113053 /nfs/dbraw/zinc/11/30/53/1153113053.db2.gz MZIHIPSKOORQKI-LBPRGKRZSA-N 0 3 306.797 2.209 20 30 DEEDHN COc1cccc([C@H]2CN(Cc3cc(C#N)ccn3)CCN2)c1 ZINC001363292709 1153317372 /nfs/dbraw/zinc/31/73/72/1153317372.db2.gz REDATUYMGYXRKE-GOSISDBHSA-N 0 3 308.385 2.108 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(NC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001382338489 1153429063 /nfs/dbraw/zinc/42/90/63/1153429063.db2.gz PCVBFOWYBFPRHJ-ZBFHGGJFSA-N 0 3 313.873 2.194 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCn1cccn1 ZINC001403048408 1162662522 /nfs/dbraw/zinc/66/25/22/1162662522.db2.gz GQOFRFXOFCNCKU-UHFFFAOYSA-N 0 3 312.845 2.100 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2(C(F)F)CC2)C1 ZINC001389849340 1155451795 /nfs/dbraw/zinc/45/17/95/1155451795.db2.gz SFPFBIWSQODROU-KYZUINATSA-N 0 3 323.181 2.177 20 30 DEEDHN C[C@H](CNC(=O)CC[C@H]1CCOC1)NCc1ccc(C#N)s1 ZINC001390329255 1155653025 /nfs/dbraw/zinc/65/30/25/1155653025.db2.gz PTSUMZNEFKZJPT-OLZOCXBDSA-N 0 3 321.446 2.031 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)[C@H](F)C(C)C)cc1C#N ZINC001371321007 1155822442 /nfs/dbraw/zinc/82/24/42/1155822442.db2.gz QAYVNZGNAWOARV-MLGOLLRUSA-N 0 3 321.396 2.155 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2n1CCCCC2 ZINC001390674772 1155835144 /nfs/dbraw/zinc/83/51/44/1155835144.db2.gz YBYCKWUSKIWTGH-ZDUSSCGKSA-N 0 3 324.856 2.460 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncc(C)cc1OC ZINC001371767358 1156007033 /nfs/dbraw/zinc/00/70/33/1156007033.db2.gz CCFOLJZGILCCCJ-LBPRGKRZSA-N 0 3 311.813 2.249 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H](F)C(C)C ZINC001371805125 1156023074 /nfs/dbraw/zinc/02/30/74/1156023074.db2.gz HFNPFNURHBCZOY-GHMZBOCLSA-N 0 3 309.223 2.374 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372652938 1156642571 /nfs/dbraw/zinc/64/25/71/1156642571.db2.gz HZIWUUAAUMXIAC-IAGOWNOFSA-N 0 3 317.408 2.490 20 30 DEEDHN Cc1cnc([C@H](C)NC2(CNC(=O)[C@H](C)C#N)CCCC2)cn1 ZINC001391993829 1156845952 /nfs/dbraw/zinc/84/59/52/1156845952.db2.gz FNDMTJISKMAPLP-OCCSQVGLSA-N 0 3 315.421 2.024 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)C(C)C ZINC001392228037 1156898678 /nfs/dbraw/zinc/89/86/78/1156898678.db2.gz DEQPAACCDBFODZ-AWEZNQCLSA-N 0 3 324.856 2.394 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)CCN(C)C(=O)[C@@H](C)C#N)c1 ZINC001392267288 1156946264 /nfs/dbraw/zinc/94/62/64/1156946264.db2.gz YLQQUESJORFILH-INIZCTEOSA-N 0 3 317.433 2.232 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC001392295937 1156999465 /nfs/dbraw/zinc/99/94/65/1156999465.db2.gz YJDUKHMKPNNPHG-XHDPSFHLSA-N 0 3 324.856 2.218 20 30 DEEDHN C[C@H](CNCc1ccccc1Cl)NC(=O)c1cc(C#N)c[nH]1 ZINC001392472513 1157064227 /nfs/dbraw/zinc/06/42/27/1157064227.db2.gz WYYYJIVRBRXPDE-LLVKDONJSA-N 0 3 316.792 2.448 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1CCCOC1)NCc1ccc(C#N)s1 ZINC001373741343 1157329694 /nfs/dbraw/zinc/32/96/94/1157329694.db2.gz VYWVSJHRDUOZLY-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)C2CCC2)C2CC2)cc1F ZINC001392762094 1157393588 /nfs/dbraw/zinc/39/35/88/1157393588.db2.gz ZWQVGHTWUOHQTJ-KRWDZBQOSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cncn2C)CCCC[C@@H]1C ZINC001373901378 1157448209 /nfs/dbraw/zinc/44/82/09/1157448209.db2.gz IWIKMQJAYBEVSB-LRDDRELGSA-N 0 3 324.856 2.441 20 30 DEEDHN COc1cccc(CN2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)c1C ZINC001393110278 1157692277 /nfs/dbraw/zinc/69/22/77/1157692277.db2.gz ZQMDPHSWDJMERR-ACJLOTCBSA-N 0 3 315.417 2.244 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001403489225 1162898842 /nfs/dbraw/zinc/89/88/42/1162898842.db2.gz PKRUWOWWARICOM-SNVBAGLBSA-N 0 3 323.780 2.384 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3cccn3cn2)C1 ZINC001393900139 1158055425 /nfs/dbraw/zinc/05/54/25/1158055425.db2.gz ABCOVSBLKFKVRF-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccoc1)N(C)Cc1cccc(C#N)c1 ZINC001394067383 1158230433 /nfs/dbraw/zinc/23/04/33/1158230433.db2.gz UFDFBFBXLCTLEU-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)C2CCC2)cc1C#N ZINC001403523293 1162937387 /nfs/dbraw/zinc/93/73/87/1162937387.db2.gz RESYQZGHZUVHNQ-CYBMUJFWSA-N 0 3 315.417 2.303 20 30 DEEDHN COC[C@@H](C)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394127311 1158318947 /nfs/dbraw/zinc/31/89/47/1158318947.db2.gz SRXBGUCNCXLKIC-LSDHHAIUSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@H](CN(C)C(=O)Cc1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001394559980 1158635118 /nfs/dbraw/zinc/63/51/18/1158635118.db2.gz IEEHBAXXHCLBGU-GFCCVEGCSA-N 0 3 316.430 2.127 20 30 DEEDHN CC(C)C(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001376193500 1159216186 /nfs/dbraw/zinc/21/61/86/1159216186.db2.gz JNAIXFABFFVCOZ-MRXNPFEDSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](CNC(=O)c1cccnc1)NCc1ccc(C#N)c(F)c1 ZINC001376676025 1159666660 /nfs/dbraw/zinc/66/66/60/1159666660.db2.gz JVGLKTDNPIQHRA-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@@H](CNC(=O)CCc1ccco1)NCc1ccc(C#N)s1 ZINC001376688368 1159681262 /nfs/dbraw/zinc/68/12/62/1159681262.db2.gz BQEPDVUBHSIULP-LBPRGKRZSA-N 0 3 317.414 2.440 20 30 DEEDHN Cc1ccncc1CNC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 ZINC001376729459 1159732277 /nfs/dbraw/zinc/73/22/77/1159732277.db2.gz NNZHVQDWYAOANL-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1cc[nH]c1C ZINC001377006953 1159873951 /nfs/dbraw/zinc/87/39/51/1159873951.db2.gz BENRLGVCEMOMSB-SNVBAGLBSA-N 0 3 314.227 2.330 20 30 DEEDHN C[C@@H](CCNC(=O)c1ccn(C)c1)NCc1ccccc1C#N ZINC001377018058 1159877473 /nfs/dbraw/zinc/87/74/73/1159877473.db2.gz CDHORPPQRVHFRK-AWEZNQCLSA-N 0 3 310.401 2.195 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001377079646 1159893367 /nfs/dbraw/zinc/89/33/67/1159893367.db2.gz FURKYEHVKYOEEU-WDEREUQCSA-N 0 3 312.845 2.367 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](OC)[C@H](C)CC)C1 ZINC001397604568 1160358637 /nfs/dbraw/zinc/35/86/37/1160358637.db2.gz IAOUUZNYIBUPAQ-RUZUBIRVSA-N 0 3 302.846 2.284 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1CCOc1ccccc1 ZINC001397739880 1160434172 /nfs/dbraw/zinc/43/41/72/1160434172.db2.gz WTRXXNHJVRWAPG-HYVNUMGLSA-N 0 3 315.417 2.194 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@H](C)SC)C1 ZINC001397838406 1160553030 /nfs/dbraw/zinc/55/30/30/1160553030.db2.gz WLOFCXAAFOMWAF-WHXUTIOJSA-N 0 3 321.284 2.131 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)COCC)CC1 ZINC001377577116 1160558371 /nfs/dbraw/zinc/55/83/71/1160558371.db2.gz IPASEEREWYGFCN-UHFFFAOYSA-N 0 3 302.846 2.336 20 30 DEEDHN C[C@@H](NC(=O)c1ccns1)[C@H](C)NCc1ccc(C#N)s1 ZINC001377799317 1160830247 /nfs/dbraw/zinc/83/02/47/1160830247.db2.gz CNEBCNISTPXRDS-VHSXEESVSA-N 0 3 320.443 2.373 20 30 DEEDHN CC(C)OCCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378010584 1160913958 /nfs/dbraw/zinc/91/39/58/1160913958.db2.gz WICDUQSEWKMEIA-OAHLLOKOSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@H](CNC(=O)CC1CCC1)NCc1ccc(F)c(C#N)c1 ZINC001398878655 1161133784 /nfs/dbraw/zinc/13/37/84/1161133784.db2.gz FVXBFNIBGFRRHF-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1nc(C(C)C)ccc1CN[C@H](C)CNC(=O)[C@H](C)C#N ZINC001398891162 1161139327 /nfs/dbraw/zinc/13/93/27/1161139327.db2.gz VVMBPRCANWBILX-CHWSQXEVSA-N 0 3 302.422 2.267 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1cccc2cccnc21 ZINC001399817274 1161574027 /nfs/dbraw/zinc/57/40/27/1161574027.db2.gz BASZUEFVHCEVEW-PBHICJAKSA-N 0 3 322.412 2.475 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)C#N)NCc1cc(OC)ccc1Cl ZINC001400792608 1161822127 /nfs/dbraw/zinc/82/21/27/1161822127.db2.gz DNRVVXDFJGYMRT-DGCLKSJQSA-N 0 3 323.824 2.493 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)CCOc1cccc(Cl)c1 ZINC001401359369 1161949351 /nfs/dbraw/zinc/94/93/51/1161949351.db2.gz WJTANPYHTCWROU-CYBMUJFWSA-N 0 3 323.824 2.269 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@H]2CCCO2)C1 ZINC001401597476 1162040734 /nfs/dbraw/zinc/04/07/34/1162040734.db2.gz QKLTWKVNCUOYRT-JXQTWKCFSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)COC(C)(C)C ZINC001401774802 1162123366 /nfs/dbraw/zinc/12/33/66/1162123366.db2.gz WGIFVMMSLLUCEC-CQSZACIVSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001405800933 1164248483 /nfs/dbraw/zinc/24/84/83/1164248483.db2.gz ABSBYQHGRRWIJK-LBPRGKRZSA-N 0 3 320.824 2.445 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccns1)C1CCCCC1 ZINC001405942669 1164350457 /nfs/dbraw/zinc/35/04/57/1164350457.db2.gz HEXUGKSVKNDHRJ-SWLSCSKDSA-N 0 3 320.462 2.457 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001406905526 1164877614 /nfs/dbraw/zinc/87/76/14/1164877614.db2.gz GLGSNZCVRNEEDX-JTQLQIEISA-N 0 3 309.772 2.377 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(CC3CCCCC3)C2)O1 ZINC001407957852 1165410989 /nfs/dbraw/zinc/41/09/89/1165410989.db2.gz AOFZFHNFBRFRNS-GOEBONIOSA-N 0 3 319.449 2.076 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001408172902 1165502184 /nfs/dbraw/zinc/50/21/84/1165502184.db2.gz IWSZLRDFUZCIOZ-UONOGXRCSA-N 0 3 301.862 2.048 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001418100988 1167410118 /nfs/dbraw/zinc/41/01/18/1167410118.db2.gz IKKKAXNIQMRCCL-IJEWVQPXSA-N 0 3 321.371 2.428 20 30 DEEDHN C[C@H](CNC(=O)C1(CF)CCC1)NCc1ccc(F)c(C#N)c1 ZINC001418279352 1167543836 /nfs/dbraw/zinc/54/38/36/1167543836.db2.gz GRUKGAJZASNQCU-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCOc1c(C)cccc1C ZINC001418542990 1167801252 /nfs/dbraw/zinc/80/12/52/1167801252.db2.gz YSKGNCNQGAUTBD-MRXNPFEDSA-N 0 3 317.433 2.280 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cnns1 ZINC001419068961 1168174987 /nfs/dbraw/zinc/17/49/87/1168174987.db2.gz PJZRDMVFMZHXHD-WDEREUQCSA-N 0 3 314.842 2.263 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)C#N)NCc1ccccc1OC1CC1 ZINC001419181711 1168297777 /nfs/dbraw/zinc/29/77/77/1168297777.db2.gz QLLMJUXNXFFSLY-UKRRQHHQSA-N 0 3 315.417 2.372 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001419402458 1168447806 /nfs/dbraw/zinc/44/78/06/1168447806.db2.gz SGNSAOSCOTYSPZ-BPLDGKMQSA-N 0 3 324.384 2.238 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1ccccn1 ZINC001419438561 1168480320 /nfs/dbraw/zinc/48/03/20/1168480320.db2.gz ONFFSWRVTLBTEM-AWEZNQCLSA-N 0 3 308.385 2.109 20 30 DEEDHN CN1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)C(C)(C)C1 ZINC001420020697 1169069362 /nfs/dbraw/zinc/06/93/62/1169069362.db2.gz YOGZCTUPHWULEP-MRXNPFEDSA-N 0 3 310.401 2.235 20 30 DEEDHN CCN1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C(C)(C)C1 ZINC001420053251 1169113000 /nfs/dbraw/zinc/11/30/00/1169113000.db2.gz ILAYTZDJVXVNEZ-INIZCTEOSA-N 0 3 311.429 2.436 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cncc(COC)c1 ZINC001420098115 1169160875 /nfs/dbraw/zinc/16/08/75/1169160875.db2.gz PPKYGZFCWUPATM-GFCCVEGCSA-N 0 3 311.813 2.079 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc2ncccc2c1 ZINC001420371103 1169420033 /nfs/dbraw/zinc/42/00/33/1169420033.db2.gz SSFPAJXNVQMBEW-AWEZNQCLSA-N 0 3 310.401 2.333 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccoc1 ZINC001420392718 1169463307 /nfs/dbraw/zinc/46/33/07/1169463307.db2.gz ILCBCEPXHTXISQ-NSHDSACASA-N 0 3 301.321 2.198 20 30 DEEDHN C[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)N1CCCCC1 ZINC001420866430 1171298956 /nfs/dbraw/zinc/29/89/56/1171298956.db2.gz FMUMMORADPGGMC-NSHDSACASA-N 0 3 306.797 2.211 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](OC)C2CCC2)C1 ZINC001422269789 1172451583 /nfs/dbraw/zinc/45/15/83/1172451583.db2.gz CBKXQBXMKZJUIS-UXUKBGGZSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC12CC2 ZINC001422566965 1172715807 /nfs/dbraw/zinc/71/58/07/1172715807.db2.gz NEHVDJKGHLKJBW-BXUZGUMPSA-N 0 3 301.365 2.092 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001422694559 1172812711 /nfs/dbraw/zinc/81/27/11/1172812711.db2.gz AZGDUUGEUSJFEF-NHYWBVRUSA-N 0 3 309.360 2.286 20 30 DEEDHN Cc1nsc(C)c1CNC[C@@H](C1CC1)N(C)C(=O)[C@@H](C)C#N ZINC001422985904 1172998846 /nfs/dbraw/zinc/99/88/46/1172998846.db2.gz KEFJSDOBFDQTQD-BONVTDFDSA-N 0 3 320.462 2.246 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@@H](C)CN(C)C(=O)[C@H](C)C#N ZINC001423046558 1173041155 /nfs/dbraw/zinc/04/11/55/1173041155.db2.gz KNFRRJPCZMHCNY-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CCCF ZINC001423329633 1173247155 /nfs/dbraw/zinc/24/71/55/1173247155.db2.gz MNWUZRCNRQSPHV-RYUDHWBXSA-N 0 3 309.410 2.448 20 30 DEEDHN Cc1noc(C)c1CNC[C@@H](NC(=O)[C@@H](C)C#N)C1CCCC1 ZINC001423518178 1173384089 /nfs/dbraw/zinc/38/40/89/1173384089.db2.gz SKGFDCZCJWNNRX-MEDUHNTESA-N 0 3 318.421 2.216 20 30 DEEDHN C=C(Cl)CN1CCC[C@](C)(CNC(=O)CN2CCCC2)C1 ZINC001423708999 1173506149 /nfs/dbraw/zinc/50/61/49/1173506149.db2.gz XUNWAVRNAXTIFQ-MRXNPFEDSA-N 0 3 313.873 2.053 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](C)NC(=O)C(C)(C)F ZINC001424758840 1173905203 /nfs/dbraw/zinc/90/52/03/1173905203.db2.gz PTPXOCMJJABJMA-NWDGAFQWSA-N 0 3 321.396 2.298 20 30 DEEDHN C[C@@H](NCc1ccccc1F)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001424769874 1173916148 /nfs/dbraw/zinc/91/61/48/1173916148.db2.gz YUEUJLYGPWCYID-NEPJUHHUSA-N 0 3 314.364 2.322 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CCCCO1)N(C)Cc1cccc(C#N)c1 ZINC001424931245 1174038967 /nfs/dbraw/zinc/03/89/67/1174038967.db2.gz NWNPNQSHQVLLDP-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1cccnc1CN1CCCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001425195205 1174225173 /nfs/dbraw/zinc/22/51/73/1174225173.db2.gz PLBGKCJGPIQCAA-CVEARBPZSA-N 0 3 314.433 2.411 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)CCCn2ccnc2C)[C@H]1C ZINC001425888803 1174499398 /nfs/dbraw/zinc/49/93/98/1174499398.db2.gz PUKTUCPCTAVAKF-DZGCQCFKSA-N 0 3 324.856 2.303 20 30 DEEDHN CCCc1nc(C)c(CNC2CC(N(C)C(=O)[C@@H](C)C#N)C2)o1 ZINC001426230516 1174662002 /nfs/dbraw/zinc/66/20/02/1174662002.db2.gz DGAWHCIZCCPPMF-XGNXJENSSA-N 0 3 318.421 2.174 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(O)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001434475483 1178628270 /nfs/dbraw/zinc/62/82/70/1178628270.db2.gz KWQYXSXYXVILQB-ZIAGYGMSSA-N 0 3 323.437 2.030 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2cnccc2C)C1 ZINC001436379381 1179069362 /nfs/dbraw/zinc/06/93/62/1179069362.db2.gz QBMAZTDRMUIHOE-CTYIDZIISA-N 0 3 307.825 2.169 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCF)CC[C@@H]1c1ccccc1 ZINC001436435649 1179095680 /nfs/dbraw/zinc/09/56/80/1179095680.db2.gz ZTBFZAGZUBLLRK-USXIJHARSA-N 0 3 317.408 2.480 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCn1cccn1 ZINC001436658059 1179170774 /nfs/dbraw/zinc/17/07/74/1179170774.db2.gz AFMSKODGPPEVEW-CABCVRRESA-N 0 3 324.856 2.385 20 30 DEEDHN N#Cc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)o1 ZINC001436938792 1179309592 /nfs/dbraw/zinc/30/95/92/1179309592.db2.gz WPTBAQMWKYUBFJ-WBVHZDCISA-N 0 3 321.380 2.498 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001436936602 1179309717 /nfs/dbraw/zinc/30/97/17/1179309717.db2.gz VQVQJTXVNGVVKT-BZUAXINKSA-N 0 3 321.852 2.279 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001438216629 1180238137 /nfs/dbraw/zinc/23/81/37/1180238137.db2.gz CHEGAWYFUYSOKQ-KDOFPFPSSA-N 0 3 311.429 2.368 20 30 DEEDHN CC[C@H](CNC(=O)c1cc(F)c[nH]1)NCc1ccc(C#N)s1 ZINC001438329373 1180349399 /nfs/dbraw/zinc/34/93/99/1180349399.db2.gz FGAYECMSXDXOOE-LLVKDONJSA-N 0 3 320.393 2.385 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001438475448 1180474030 /nfs/dbraw/zinc/47/40/30/1180474030.db2.gz KTTICKSKASFYCL-STQMWFEESA-N 0 3 305.447 2.152 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)CCC(F)F)CC2)c1 ZINC001439631190 1181175958 /nfs/dbraw/zinc/17/59/58/1181175958.db2.gz WTLJFTWZRIYHTF-UHFFFAOYSA-N 0 3 307.344 2.342 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(CCOC2CCCCCC2)C1 ZINC001439837757 1181260705 /nfs/dbraw/zinc/26/07/05/1181260705.db2.gz RWUDXDOURCCIJN-MAUKXSAKSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(CCOC2CCCCCC2)C1 ZINC001439837763 1181261260 /nfs/dbraw/zinc/26/12/60/1181261260.db2.gz RWUDXDOURCCIJN-YJBOKZPZSA-N 0 3 321.465 2.466 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCn2nc(C)cc2C)C1 ZINC001440292637 1181430514 /nfs/dbraw/zinc/43/05/14/1181430514.db2.gz YNRRVULRNXNCCN-GASCZTMLSA-N 0 3 324.856 2.127 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(F)c(F)c1 ZINC001440428612 1181509165 /nfs/dbraw/zinc/50/91/65/1181509165.db2.gz PGRFNJKEEGEHDT-LBPRGKRZSA-N 0 3 309.360 2.405 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001440788915 1181692737 /nfs/dbraw/zinc/69/27/37/1181692737.db2.gz QEBAMFQSHWGAHF-GHMZBOCLSA-N 0 3 302.403 2.244 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](C)NC(=O)C(C)C ZINC001440795872 1181697770 /nfs/dbraw/zinc/69/77/70/1181697770.db2.gz ZZTSHPKWARMZKF-QWHCGFSZSA-N 0 3 303.406 2.206 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001441153683 1181873214 /nfs/dbraw/zinc/87/32/14/1181873214.db2.gz BERMOMRFBQXODU-IAQYHMDHSA-N 0 3 321.446 2.029 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441917409 1182249111 /nfs/dbraw/zinc/24/91/11/1182249111.db2.gz KSSSKXCTQVBFQD-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(OC)c(Cl)c1 ZINC001442653899 1182611971 /nfs/dbraw/zinc/61/19/71/1182611971.db2.gz XIZVNXOEGGRYNN-LBPRGKRZSA-N 0 3 323.824 2.446 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)CC1CC1 ZINC001444552325 1183448555 /nfs/dbraw/zinc/44/85/55/1183448555.db2.gz IHTWKYVCMSHLSV-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001447604198 1184822483 /nfs/dbraw/zinc/82/24/83/1184822483.db2.gz ZXTWMNYZWAIDMW-JSGCOSHPSA-N 0 3 314.857 2.118 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)CCCn1ccnc1C ZINC001447891861 1184924925 /nfs/dbraw/zinc/92/49/25/1184924925.db2.gz GHAFLMRMWZFQCI-STQMWFEESA-N 0 3 312.845 2.207 20 30 DEEDHN C[C@H](CNC(=O)C1=COCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001447995537 1185009825 /nfs/dbraw/zinc/00/98/25/1185009825.db2.gz JEKNRMIBIIAQPV-CQSZACIVSA-N 0 3 313.401 2.189 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001448510743 1185266353 /nfs/dbraw/zinc/26/63/53/1185266353.db2.gz KESZOGGGXBQUQS-MGPQQGTHSA-N 0 3 312.841 2.040 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001448602662 1185316288 /nfs/dbraw/zinc/31/62/88/1185316288.db2.gz ZPVSSQGVLXWWSG-UMVBOHGHSA-N 0 3 322.840 2.092 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C)ncc2C)CC1 ZINC001347760116 1151095957 /nfs/dbraw/zinc/09/59/57/1151095957.db2.gz SXGYVJHYYKYBLO-UHFFFAOYSA-N 0 3 303.410 2.255 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@H](NC/C=C/Cl)C[C@@H]2C)c1 ZINC001332030678 1149810430 /nfs/dbraw/zinc/81/04/30/1149810430.db2.gz VFBVFURFAGTTTN-HDOBRADBSA-N 0 3 303.793 2.008 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)c3c[n-]nn3)CCC[C@@H]12 ZINC001332102680 1149820025 /nfs/dbraw/zinc/82/00/25/1149820025.db2.gz YMGPKUWGHATGSR-WBVHZDCISA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)c3c[n-]nn3)CCC[C@@H]12 ZINC001332102680 1149820026 /nfs/dbraw/zinc/82/00/26/1149820026.db2.gz YMGPKUWGHATGSR-WBVHZDCISA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC001332102680 1149820027 /nfs/dbraw/zinc/82/00/27/1149820027.db2.gz YMGPKUWGHATGSR-WBVHZDCISA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC001332102680 1149820028 /nfs/dbraw/zinc/82/00/28/1149820028.db2.gz YMGPKUWGHATGSR-WBVHZDCISA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(C)nc4sccn43)C2)C1 ZINC001072854578 790275026 /nfs/dbraw/zinc/27/50/26/790275026.db2.gz RLANXIOGYTURSG-UHFFFAOYSA-N 0 3 316.430 2.038 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)[C@H]1C ZINC001332202348 1149834546 /nfs/dbraw/zinc/83/45/46/1149834546.db2.gz YHQRVZKMKMQYNB-NVXWUHKLSA-N 0 3 318.465 2.125 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCOC2CCOCC2)[C@@H]1C ZINC001332207229 1149834753 /nfs/dbraw/zinc/83/47/53/1149834753.db2.gz RMSZGTDXIFCLMU-DOTOQJQBSA-N 0 3 324.465 2.117 20 30 DEEDHN COc1ccc(CNCCNc2ncccc2C#N)c(F)c1 ZINC001332611572 1149873461 /nfs/dbraw/zinc/87/34/61/1149873461.db2.gz QZVHMPYTSYWCKB-UHFFFAOYSA-N 0 3 300.337 2.303 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1nccn2cc(C)nc12)C(C)C ZINC001332735098 1149886317 /nfs/dbraw/zinc/88/63/17/1149886317.db2.gz JKHDWYBSNXUZIS-UHFFFAOYSA-N 0 3 315.421 2.006 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CCn1cc(C)cn1)C(C)C ZINC001332740473 1149886954 /nfs/dbraw/zinc/88/69/54/1149886954.db2.gz MRTFNIHANDYKQI-UHFFFAOYSA-N 0 3 306.454 2.327 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001407698566 1165263043 /nfs/dbraw/zinc/26/30/43/1165263043.db2.gz VKTHJICLBIWQTE-JHJVBQTASA-N 0 3 306.435 2.067 20 30 DEEDHN CCc1noc(C)c1CNC1CC(N(C)C(=O)C#CC(C)C)C1 ZINC001333061074 1149977144 /nfs/dbraw/zinc/97/71/44/1149977144.db2.gz KIERJXIGQAVOQA-UHFFFAOYSA-N 0 3 317.433 2.284 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@H]1CNCc1ccccc1C#N ZINC001106539347 782769690 /nfs/dbraw/zinc/76/96/90/782769690.db2.gz BWBYIDHUGDTWTJ-RHSMWYFYSA-N 0 3 317.408 2.492 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)C1CCCCC1)C2 ZINC001111527572 782910770 /nfs/dbraw/zinc/91/07/70/782910770.db2.gz HBSCYOBMLXUCSR-BDXSIMOUSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCOc2ccccc21 ZINC001168504053 782948232 /nfs/dbraw/zinc/94/82/32/782948232.db2.gz PXJLCPDWPWLVDM-AWEZNQCLSA-N 0 3 308.809 2.401 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCOCC)C[C@H](C)O2 ZINC001111537124 783019738 /nfs/dbraw/zinc/01/97/38/783019738.db2.gz PPMPYXUMOBZBDV-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)o2)CC(C)(C)C1 ZINC001089365685 783042389 /nfs/dbraw/zinc/04/23/89/783042389.db2.gz YFYYRWDLZAODHW-HNNXBMFYSA-N 0 3 302.418 2.371 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001099310713 783043181 /nfs/dbraw/zinc/04/31/81/783043181.db2.gz UBZDUAIFMQLDQR-CQSZACIVSA-N 0 3 318.465 2.480 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C[C@@H]1C ZINC000947365485 783117326 /nfs/dbraw/zinc/11/73/26/783117326.db2.gz OANDZACORGZMBG-HOTGVXAUSA-N 0 3 316.449 2.145 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccn(C)c2CC)CC(C)(C)C1 ZINC001089492050 783157432 /nfs/dbraw/zinc/15/74/32/783157432.db2.gz BGTLHWAEPAGIFS-OAHLLOKOSA-N 0 3 315.461 2.441 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)CC(C)(C)C1 ZINC001089497921 783163921 /nfs/dbraw/zinc/16/39/21/783163921.db2.gz JZHLMMGFUTZHSZ-AWEZNQCLSA-N 0 3 316.449 2.387 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC000947572315 783178041 /nfs/dbraw/zinc/17/80/41/783178041.db2.gz MCHNBIBOCAMYLD-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC(C)(C)C1 ZINC001089535178 783187077 /nfs/dbraw/zinc/18/70/77/783187077.db2.gz ZBPLBDZPRUNSAJ-CQSZACIVSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)CC(C)(C)C1 ZINC001089552936 783201808 /nfs/dbraw/zinc/20/18/08/783201808.db2.gz GPGSJLJHORIIRV-INIZCTEOSA-N 0 3 315.461 2.496 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)ncc2Cl)C[C@@H]1C ZINC000947779212 783230531 /nfs/dbraw/zinc/23/05/31/783230531.db2.gz OBXPQRDCVPLUAZ-WCQYABFASA-N 0 3 320.824 2.044 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)C[C@@H]1C ZINC000947784001 783230555 /nfs/dbraw/zinc/23/05/55/783230555.db2.gz QXEQTKCBLVHEDV-AAEUAGOBSA-N 0 3 322.478 2.286 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001090583279 790369151 /nfs/dbraw/zinc/36/91/51/790369151.db2.gz MXICFLBNWAEUQT-KBPBESRZSA-N 0 3 324.371 2.014 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)[C@@H](O)C1 ZINC001090582872 790372988 /nfs/dbraw/zinc/37/29/88/790372988.db2.gz HTLFELSVLHPUGQ-HOTGVXAUSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)C2)C1 ZINC001073026729 790397943 /nfs/dbraw/zinc/39/79/43/790397943.db2.gz NXRIWEMUSJBQHR-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3scnc3C)C2)C1 ZINC001073097587 790452009 /nfs/dbraw/zinc/45/20/09/790452009.db2.gz XFVZYPZOWGDIKH-UHFFFAOYSA-N 0 3 305.447 2.104 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc4c([nH]3)CCCC4)C2)C1 ZINC001073106123 790458261 /nfs/dbraw/zinc/45/82/61/790458261.db2.gz PGUTYVQPPUCYSG-UHFFFAOYSA-N 0 3 311.429 2.065 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C[C@@H](C)C(F)(F)F)CC1 ZINC001208903844 776638340 /nfs/dbraw/zinc/63/83/40/776638340.db2.gz ZEVGBNKJIOUAPK-OAHLLOKOSA-N 0 3 319.415 2.476 20 30 DEEDHN CC1(C)OCC(CN2CCN(c3ccccc3C#N)CC2)CO1 ZINC001209191536 776676285 /nfs/dbraw/zinc/67/62/85/776676285.db2.gz MXYJEFZLGNOBPM-UHFFFAOYSA-N 0 3 315.417 2.079 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CCCCN[C@H](C)c1nncn1C ZINC001171043745 790474656 /nfs/dbraw/zinc/47/46/56/790474656.db2.gz PMLONANMNDJNDE-HUUCEWRRSA-N 0 3 321.469 2.497 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(F)cc(OC)cc1F ZINC001167176061 776749998 /nfs/dbraw/zinc/74/99/98/776749998.db2.gz BQNADIXGJHVJFX-UHFFFAOYSA-N 0 3 318.751 2.435 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](O)C1 ZINC001090745981 790479424 /nfs/dbraw/zinc/47/94/24/790479424.db2.gz DFTOYIXLGVSOTF-QAETUUGQSA-N 0 3 308.466 2.330 20 30 DEEDHN Cc1c(C)n(-c2cccc(CN3CCN(C)CC3)c2)c(N)c1C#N ZINC001204490707 776825852 /nfs/dbraw/zinc/82/58/52/776825852.db2.gz DXMOZIMMPUWJFR-UHFFFAOYSA-N 0 3 323.444 2.295 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@@H](C)CC)c1 ZINC001167405582 776994679 /nfs/dbraw/zinc/99/46/79/776994679.db2.gz GQCJBQNJHSIBJD-ZDUSSCGKSA-N 0 3 301.390 2.294 20 30 DEEDHN CC(C)[C@@](C)(Nc1ccc(/N=C/N(C)C)c(C#N)c1)C(N)=O ZINC001167419148 777011142 /nfs/dbraw/zinc/01/11/42/777011142.db2.gz QUOGJNRMLKZLDB-MWJIIQFGSA-N 0 3 301.394 2.092 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C ZINC001104331137 777066873 /nfs/dbraw/zinc/06/68/73/777066873.db2.gz PROFCYDLSMZOQX-QSFCEBDXSA-N 0 3 314.857 2.238 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)NC[C@H](C(CC)CC)N(C)C)cc1 ZINC001211531132 777248194 /nfs/dbraw/zinc/24/81/94/777248194.db2.gz OPPCDHWSPSIRQO-QGZVFWFLSA-N 0 3 322.474 2.313 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC001167508728 777277633 /nfs/dbraw/zinc/27/76/33/777277633.db2.gz KCIBZARFLOFBRG-TZMCWYRMSA-N 0 3 302.846 2.430 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1c1ccccc1 ZINC001211538007 777289253 /nfs/dbraw/zinc/28/92/53/777289253.db2.gz NPKSJVJIBAUXBX-BHYGNILZSA-N 0 3 316.470 2.345 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100587075 777356912 /nfs/dbraw/zinc/35/69/12/777356912.db2.gz HZGIRFQHVUIBJT-WLYUNCDWSA-N 0 3 304.438 2.007 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211563368 777419336 /nfs/dbraw/zinc/41/93/36/777419336.db2.gz QZSNZNNDYBTPQH-BTBGUSKYSA-N 0 3 317.820 2.483 20 30 DEEDHN C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)[C@H]1CCCN1C ZINC001104502400 777561784 /nfs/dbraw/zinc/56/17/84/777561784.db2.gz NNPVSZVBNZDENA-BLLLJJGKSA-N 0 3 318.396 2.050 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100645037 777568496 /nfs/dbraw/zinc/56/84/96/777568496.db2.gz QWMKACKCWHZLKN-MQBCKMQZSA-N 0 3 304.438 2.007 20 30 DEEDHN N#Cc1ccc(C(=O)NCCNCc2ccc(F)c(Cl)c2)[nH]1 ZINC001125776808 777647576 /nfs/dbraw/zinc/64/75/76/777647576.db2.gz YOOZCLRWCWFVBM-UHFFFAOYSA-N 0 3 320.755 2.198 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cncc(C)c1 ZINC001087278666 777702639 /nfs/dbraw/zinc/70/26/39/777702639.db2.gz LCBZGLCSARVEMH-IXDOHACOSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3c(C)ccn3C)C(C)(C)[C@H]21 ZINC001087283737 777719728 /nfs/dbraw/zinc/71/97/28/777719728.db2.gz VNDZRIVHUVDNEX-OIISXLGYSA-N 0 3 313.445 2.186 20 30 DEEDHN COC(=O)c1cc(C#N)ccc1-n1nc(CN)c2ccccc21 ZINC001167698279 777889111 /nfs/dbraw/zinc/88/91/11/777889111.db2.gz WZHHWWHZIKRYML-UHFFFAOYSA-N 0 3 306.325 2.142 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2C(C)C)[C@H](O)C1 ZINC001090829588 790579572 /nfs/dbraw/zinc/57/95/72/790579572.db2.gz DCBFHURKVUCQCA-LSDHHAIUSA-N 0 3 320.458 2.060 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001090847752 790597879 /nfs/dbraw/zinc/59/78/79/790597879.db2.gz BCABKDJZGBVRNS-KGLIPLIRSA-N 0 3 308.466 2.186 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCC=C)C1 ZINC001112068219 778281383 /nfs/dbraw/zinc/28/13/83/778281383.db2.gz OLFWFKIPKIPEBU-CHWSQXEVSA-N 0 3 320.355 2.134 20 30 DEEDHN CCCCCCN(C)CC(=O)NCCC1=CCN(CC#N)CC1 ZINC001161497365 778392316 /nfs/dbraw/zinc/39/23/16/778392316.db2.gz YLAJXPKYBAQKGT-UHFFFAOYSA-N 0 3 320.481 2.160 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105309892 778438437 /nfs/dbraw/zinc/43/84/37/778438437.db2.gz HHFGMFNQGGTEDD-CQSZACIVSA-N 0 3 319.453 2.153 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090866560 790627048 /nfs/dbraw/zinc/62/70/48/790627048.db2.gz IVGQLSZBPCVCAE-BDWBDONCSA-N 0 3 324.424 2.179 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3c(C)cccc3C)C2)C1 ZINC001073409249 790641589 /nfs/dbraw/zinc/64/15/89/790641589.db2.gz YYQCVAINIIYEJA-UHFFFAOYSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001073411568 790643213 /nfs/dbraw/zinc/64/32/13/790643213.db2.gz NQLNZWWDQZBDJF-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001075616218 778750297 /nfs/dbraw/zinc/75/02/97/778750297.db2.gz MOLNOVVYKOZJIH-QANKJYHBSA-N 0 3 322.412 2.360 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@]2(C)C1 ZINC000982634496 778893195 /nfs/dbraw/zinc/89/31/95/778893195.db2.gz LIXWIXMFNJNNGT-OGWHTMIXSA-N 0 3 300.446 2.226 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C ZINC001103924950 778957165 /nfs/dbraw/zinc/95/71/65/778957165.db2.gz AADMEWZUMKFBFV-BPLDGKMQSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(N(C)CC)cc3)C2)C1 ZINC001073481810 790682800 /nfs/dbraw/zinc/68/28/00/790682800.db2.gz GXAOCYQEVXEXAF-UHFFFAOYSA-N 0 3 313.445 2.477 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCOCC)CC1 ZINC001105389550 779259950 /nfs/dbraw/zinc/25/99/50/779259950.db2.gz SRORVVRZUFWOIV-GOSISDBHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3Cc4cccc(C)c4O3)C2)C1 ZINC001073497628 790693359 /nfs/dbraw/zinc/69/33/59/790693359.db2.gz WSMWBKUCZOVKKC-INIZCTEOSA-N 0 3 312.413 2.019 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)nnc2C)[C@H]1CC ZINC001087585407 779370080 /nfs/dbraw/zinc/37/00/80/779370080.db2.gz GAURMZBVQPZXSI-JKSUJKDBSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2onc3c2CCCC3)[C@H]1CC ZINC001087657725 779399348 /nfs/dbraw/zinc/39/93/48/779399348.db2.gz YEZKPCSFFOLNAN-JKSUJKDBSA-N 0 3 315.417 2.159 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nnn(CC)c2CC)[C@H]1CC ZINC001087721070 779422954 /nfs/dbraw/zinc/42/29/54/779422954.db2.gz AEVPKCJFEOOIPD-UONOGXRCSA-N 0 3 319.453 2.019 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN2CC[C@H](C)C2)[C@H]1CC ZINC001087726592 779426703 /nfs/dbraw/zinc/42/67/03/779426703.db2.gz LOIGDXQIQPLOCZ-AEGPPILISA-N 0 3 313.873 2.050 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)nn2C)[C@H]1CC ZINC001087773084 779447527 /nfs/dbraw/zinc/44/75/27/779447527.db2.gz UIDUGFCBENSASJ-LSDHHAIUSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)C(C)(C)c2cnc[nH]2)[C@H]1CC ZINC001087797428 779455235 /nfs/dbraw/zinc/45/52/35/779455235.db2.gz NYGOHWWMKBQDAQ-QWHCGFSZSA-N 0 3 324.856 2.409 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)C[C@@H]2C1 ZINC001087892420 779523721 /nfs/dbraw/zinc/52/37/21/779523721.db2.gz ZPEWZDXXLRSZQO-OLZOCXBDSA-N 0 3 322.840 2.119 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3sccc3Cl)C[C@@H]2C1 ZINC001087974835 779586195 /nfs/dbraw/zinc/58/61/95/779586195.db2.gz RNZWSNCLJOIRLF-NEPJUHHUSA-N 0 3 308.834 2.429 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(C)noc3C(C)C)C[C@@H]2C1 ZINC001088001657 779625981 /nfs/dbraw/zinc/62/59/81/779625981.db2.gz WGZARIFJZFWVRT-CABCVRRESA-N 0 3 315.417 2.134 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccnc(CCC)c3)C[C@@H]2C1 ZINC001088002206 779627025 /nfs/dbraw/zinc/62/70/25/779627025.db2.gz VTADEYZRMQASQK-SJORKVTESA-N 0 3 311.429 2.061 20 30 DEEDHN CSc1nc(CN(C)C2CCN(C(C)=O)CC2)ccc1C#N ZINC001141941775 779642378 /nfs/dbraw/zinc/64/23/78/779642378.db2.gz XHZRMDOQHBWHBC-UHFFFAOYSA-N 0 3 318.446 2.118 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)C[C@@H]2C1 ZINC001088116411 779711325 /nfs/dbraw/zinc/71/13/25/779711325.db2.gz YDFGWGNMYXUHJV-CVEARBPZSA-N 0 3 307.397 2.195 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(F)CCCCC3)C[C@@H]2C1 ZINC001088160921 779736614 /nfs/dbraw/zinc/73/66/14/779736614.db2.gz ULLFIKMZGDVAMN-CVEARBPZSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc4nc(C)ccc4o3)C[C@@H]2C1 ZINC001088177680 779756463 /nfs/dbraw/zinc/75/64/63/779756463.db2.gz OPMUJTKGJNWGFX-CABCVRRESA-N 0 3 323.396 2.163 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccccc3OC)C[C@@H]2C1 ZINC001088179774 779759944 /nfs/dbraw/zinc/75/99/44/779759944.db2.gz YHXKPYPGISXNER-CVEARBPZSA-N 0 3 312.413 2.112 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC001088231093 779786585 /nfs/dbraw/zinc/78/65/85/779786585.db2.gz IBIWNLRTKCCPGR-XFHJGTJQSA-N 0 3 318.461 2.468 20 30 DEEDHN C[C@H](C(=O)N1CCCCC[C@H](NCC#N)C1)N1CCCCCC1 ZINC001088393370 780065759 /nfs/dbraw/zinc/06/57/59/780065759.db2.gz CFELDVJXOZPUIS-SJORKVTESA-N 0 3 320.481 2.135 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCOCC(C)C)C1 ZINC001111613851 780176482 /nfs/dbraw/zinc/17/64/82/780176482.db2.gz RXNFDUPFYHYTGA-WMZOPIPTSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001059846422 780442881 /nfs/dbraw/zinc/44/28/81/780442881.db2.gz VWVKHGQZTKTUDT-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)COC)[C@H](OC)C1 ZINC001212030166 780594189 /nfs/dbraw/zinc/59/41/89/780594189.db2.gz VREAWTNDPWSYJK-ARFHVFGLSA-N 0 3 314.470 2.055 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001073714253 790810774 /nfs/dbraw/zinc/81/07/74/790810774.db2.gz POFIUXWUAFNXCF-OAHLLOKOSA-N 0 3 318.417 2.165 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001060037404 780912817 /nfs/dbraw/zinc/91/28/17/780912817.db2.gz GDZVXCGWJHRYIB-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN COc1cc(CNCCNC(=O)C#CC(C)C)ccc1Cl ZINC001126815796 780941423 /nfs/dbraw/zinc/94/14/23/780941423.db2.gz MPHRUJRCJAUMOL-UHFFFAOYSA-N 0 3 308.809 2.214 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cncc4[nH]ccc43)[C@@H]2C1 ZINC001075988913 780956374 /nfs/dbraw/zinc/95/63/74/780956374.db2.gz JZSGRFGDGLFROV-SUMWQHHRSA-N 0 3 310.401 2.285 20 30 DEEDHN C#CC1CCN(Cc2ccc(OC(C)=O)c(OC(C)=O)c2)CC1 ZINC001144287447 790850552 /nfs/dbraw/zinc/85/05/52/790850552.db2.gz PSMTZPFKXLAQHV-UHFFFAOYSA-N 0 3 315.369 2.382 20 30 DEEDHN C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)c1 ZINC001076222949 781174500 /nfs/dbraw/zinc/17/45/00/781174500.db2.gz AGRBIAVZTVQNHP-FUHWJXTLSA-N 0 3 309.413 2.175 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@H]3CN(CC(=C)C)C[C@H]32)cc1 ZINC001076334027 781223076 /nfs/dbraw/zinc/22/30/76/781223076.db2.gz NRGQRCWQDHTHGT-PKOBYXMFSA-N 0 3 324.424 2.421 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001073784178 790868176 /nfs/dbraw/zinc/86/81/76/790868176.db2.gz XDRQSJMRESZVST-BZUAXINKSA-N 0 3 318.417 2.166 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cn(CCC)nc3C)[C@@H]2C1 ZINC001076399998 781250824 /nfs/dbraw/zinc/25/08/24/781250824.db2.gz LOOWCUVISRMQGT-DOTOQJQBSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccc(C)cc3C)[C@@H]2C1 ZINC001076558228 781310905 /nfs/dbraw/zinc/31/09/05/781310905.db2.gz JFOLEXDBXAOJAP-DLBZAZTESA-N 0 3 314.429 2.401 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)CN(C)c3ccccc3)[C@@H]2C1 ZINC001076628827 781331796 /nfs/dbraw/zinc/33/17/96/781331796.db2.gz FTIHPTGKWUBQPI-FUHWJXTLSA-N 0 3 313.445 2.232 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(N(C)CC)cc3)[C@@H]2C1 ZINC001076631036 781333737 /nfs/dbraw/zinc/33/37/37/781333737.db2.gz DIVLWOYSYOQFGR-FUHWJXTLSA-N 0 3 313.445 2.475 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001077300589 781542675 /nfs/dbraw/zinc/54/26/75/781542675.db2.gz FNNRRSZLGNAPSP-IAGOWNOFSA-N 0 3 320.408 2.129 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001077442130 781714477 /nfs/dbraw/zinc/71/44/77/781714477.db2.gz SJVAKVMSFNLIFT-QZTJIDSGSA-N 0 3 314.429 2.223 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(CC(C)C)c2)C[C@H]1C ZINC000947862265 783249774 /nfs/dbraw/zinc/24/97/74/783249774.db2.gz SDKGFEOCEGCQRP-NVXWUHKLSA-N 0 3 316.449 2.145 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C[C@@H]1C ZINC000947879132 783254461 /nfs/dbraw/zinc/25/44/61/783254461.db2.gz WMLXORDSKFJLOI-RDJZCZTQSA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)C[C@@H]1C ZINC000947886866 783257538 /nfs/dbraw/zinc/25/75/38/783257538.db2.gz OLWZZVJMKFHJQF-KBPBESRZSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncnc2C2CC2)C[C@H]1C ZINC000947989424 783286101 /nfs/dbraw/zinc/28/61/01/783286101.db2.gz KAVYQZQTYPWTRD-OCCSQVGLSA-N 0 3 300.406 2.123 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001089631267 783300167 /nfs/dbraw/zinc/30/01/67/783300167.db2.gz JQYYINIJVGYYBC-HNNXBMFYSA-N 0 3 317.408 2.464 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C[C@H]1C ZINC000948045264 783301609 /nfs/dbraw/zinc/30/16/09/783301609.db2.gz YAEWURPNRIZIEZ-KGLIPLIRSA-N 0 3 316.449 2.447 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)C[C@H]1C ZINC000948052614 783304318 /nfs/dbraw/zinc/30/43/18/783304318.db2.gz HODJUAWNTIGWQS-RISCZKNCSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3cnccc32)C[C@@H]1C ZINC000948053467 783304694 /nfs/dbraw/zinc/30/46/94/783304694.db2.gz QVVGNMTZPOABRV-GOEBONIOSA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C)sn2)CC1 ZINC000948333183 783431305 /nfs/dbraw/zinc/43/13/05/783431305.db2.gz HLDNDWPQIVPLOZ-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000948411984 783457782 /nfs/dbraw/zinc/45/77/82/783457782.db2.gz AOCGWDISOHVQFB-ZDUSSCGKSA-N 0 3 324.375 2.146 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nc(C)n3ccccc23)CC1 ZINC000948617590 783530156 /nfs/dbraw/zinc/53/01/56/783530156.db2.gz SLBSGYLKCLBFMD-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000948630694 783540541 /nfs/dbraw/zinc/54/05/41/783540541.db2.gz ANEAPBWEGNLKBP-KURKYZTESA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cnc(CC)s2)C1 ZINC001073908644 790952185 /nfs/dbraw/zinc/95/21/85/790952185.db2.gz QYHUFBNUWDPJNK-CYBMUJFWSA-N 0 3 323.462 2.102 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)CC1 ZINC001006434197 783559824 /nfs/dbraw/zinc/55/98/24/783559824.db2.gz HKSYANQTMPLCAT-INIZCTEOSA-N 0 3 318.392 2.238 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CN(CCCF)CC[C@@H]1C ZINC000966695323 783733759 /nfs/dbraw/zinc/73/37/59/783733759.db2.gz PPHDIUHPDRNSIQ-GJZGRUSLSA-N 0 3 307.413 2.474 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966880008 783793216 /nfs/dbraw/zinc/79/32/16/783793216.db2.gz SMMOSLJNRVXDDN-YJBOKZPZSA-N 0 3 313.445 2.498 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC000966903349 783807161 /nfs/dbraw/zinc/80/71/61/783807161.db2.gz FJLUXDFFOSOJEM-GOEBONIOSA-N 0 3 318.465 2.329 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967231622 783909590 /nfs/dbraw/zinc/90/95/90/783909590.db2.gz RFGVHMLVFMWDIC-CXAGYDPISA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967251918 783911421 /nfs/dbraw/zinc/91/14/21/783911421.db2.gz COVOOSFNOGJGEX-CXAGYDPISA-N 0 3 318.392 2.298 20 30 DEEDHN CS[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000967272064 783920309 /nfs/dbraw/zinc/92/03/09/783920309.db2.gz FAUPZIKCTGKURP-WDEREUQCSA-N 0 3 309.460 2.062 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967289557 783935906 /nfs/dbraw/zinc/93/59/06/783935906.db2.gz WUUWTZJHANJZDA-IUODEOHRSA-N 0 3 318.417 2.273 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccn2nccc12 ZINC001085697449 783974253 /nfs/dbraw/zinc/97/42/53/783974253.db2.gz MHFLOMXFAIOQCK-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC000967413721 783988991 /nfs/dbraw/zinc/98/89/91/783988991.db2.gz FDVPRAGMXWINBN-SWLSCSKDSA-N 0 3 319.474 2.152 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000967415123 783989389 /nfs/dbraw/zinc/98/93/89/783989389.db2.gz PBLGTKJTYCYSTB-CXAGYDPISA-N 0 3 313.445 2.470 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736208 784019346 /nfs/dbraw/zinc/01/93/46/784019346.db2.gz CPZXCIHVVOACGS-ZACQAIPSSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)nn1C ZINC001085799289 784095029 /nfs/dbraw/zinc/09/50/29/784095029.db2.gz 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C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC000968566417 784468798 /nfs/dbraw/zinc/46/87/98/784468798.db2.gz SECCWTCZPCRNBA-IUODEOHRSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001086205880 784486803 /nfs/dbraw/zinc/48/68/03/784486803.db2.gz OGVRZJCLAKYDFV-DRPJVOAASA-N 0 3 319.836 2.422 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C)nc2OC)C1 ZINC001086218849 784498775 /nfs/dbraw/zinc/49/87/75/784498775.db2.gz ZGIWWSCIBGPIJO-BETUJISGSA-N 0 3 323.824 2.249 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001086248062 784519775 /nfs/dbraw/zinc/51/97/75/784519775.db2.gz OPQFIYJXAWSKMJ-KBXIAJHMSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC000968713386 784553615 /nfs/dbraw/zinc/55/36/15/784553615.db2.gz OMGCVDOJAWLIDV-YOEHRIQHSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC000968782272 784588177 /nfs/dbraw/zinc/58/81/77/784588177.db2.gz 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300.362 2.309 20 30 DEEDHN CN(C)/C=N/c1ccc(NC[C@@H]2COC(C)(C)O2)cc1C#N ZINC001169909992 785416546 /nfs/dbraw/zinc/41/65/46/785416546.db2.gz IUFMJCQTFZYMSC-HIPSJFSSSA-N 0 3 302.378 2.343 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC[C@H](C)F)C2)nc1 ZINC001009271914 785420275 /nfs/dbraw/zinc/42/02/75/785420275.db2.gz WGETWZVATVGVEI-DZGCQCFKSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001009380780 785442328 /nfs/dbraw/zinc/44/23/28/785442328.db2.gz BLBSRQNNMHSDIP-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2csc3nccn23)C1 ZINC001009539162 785477095 /nfs/dbraw/zinc/47/70/95/785477095.db2.gz AZEMNVUJEJHJMU-ZDUSSCGKSA-N 0 3 318.446 2.095 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[C@@H]2C(F)F)c1 ZINC001129376278 785664614 /nfs/dbraw/zinc/66/46/14/785664614.db2.gz SKQWDHXBPNJTTQ-LSDHHAIUSA-N 0 3 321.371 2.445 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOCC)CCC1)C2 ZINC001109296961 785796252 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306.454 2.306 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001014779542 786751914 /nfs/dbraw/zinc/75/19/14/786751914.db2.gz MBLNLCKZIKIQSX-DOTOQJQBSA-N 0 3 313.445 2.377 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H](O)C1 ZINC001090462719 786845233 /nfs/dbraw/zinc/84/52/33/786845233.db2.gz IJVNHPMKTRQQSK-JKSUJKDBSA-N 0 3 306.450 2.084 20 30 DEEDHN Cc1nc(NCc2ccc(C#N)s2)cc(N2CCOCC2)n1 ZINC001170200358 786852693 /nfs/dbraw/zinc/85/26/93/786852693.db2.gz KFICUVQWMFSBOU-UHFFFAOYSA-N 0 3 315.402 2.167 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001015285434 786979520 /nfs/dbraw/zinc/97/95/20/786979520.db2.gz GQFHEQISPWZLIZ-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1cc(OC)no1 ZINC001170426232 787028991 /nfs/dbraw/zinc/02/89/91/787028991.db2.gz UUWUVDHKPQNRJP-CQSZACIVSA-N 0 3 321.421 2.251 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2)C(=O)N[O-] ZINC001170431126 787097365 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C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@H](C)C2CC2)C1 ZINC001130452923 787399585 /nfs/dbraw/zinc/39/95/85/787399585.db2.gz PLJMSHNQBJZSCT-ZFWWWQNUSA-N 0 3 316.449 2.437 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001096030883 787458146 /nfs/dbraw/zinc/45/81/46/787458146.db2.gz TZOXYODQUAGGFT-KCXAZCMYSA-N 0 3 310.401 2.474 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2c(C)noc2CC)C1 ZINC001100176832 787597882 /nfs/dbraw/zinc/59/78/82/787597882.db2.gz HTYRZJAKRNCRQA-UHFFFAOYSA-N 0 3 305.422 2.496 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2C[C@H]2C2CC2)s1 ZINC001131525671 787644036 /nfs/dbraw/zinc/64/40/36/787644036.db2.gz FKURNRWXYAJXQG-WFASDCNBSA-N 0 3 303.431 2.262 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131672922 787676728 /nfs/dbraw/zinc/67/67/28/787676728.db2.gz CPTUZIMBPMXGID-MJGOQNOKSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C(/C)CC)C[C@H](C)O2 ZINC001131657671 787679772 /nfs/dbraw/zinc/67/97/72/787679772.db2.gz MCMZQVBMAKZCJH-VMUKQMOUSA-N 0 3 304.434 2.058 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(CCF)CC1)C[C@@H](C)O2 ZINC001131673690 787686928 /nfs/dbraw/zinc/68/69/28/787686928.db2.gz QOVOTLBVODFBES-QAPCUYQASA-N 0 3 324.440 2.394 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCCC=C)C[C@@H](C)O2 ZINC001131676543 787687401 /nfs/dbraw/zinc/68/74/01/787687401.db2.gz BIQOARBXIQCRIV-AEFFLSMTSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccoc3)n[nH]1)C2 ZINC001096547685 787724182 /nfs/dbraw/zinc/72/41/82/787724182.db2.gz TWUPOQCAFYLRPL-KMFMINBZSA-N 0 3 324.384 2.028 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)nn1CC ZINC001158518700 787833776 /nfs/dbraw/zinc/83/37/76/787833776.db2.gz KBYVTWMCNKBNGS-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1nn(C)c(C)c1Cl ZINC001158529889 787853236 /nfs/dbraw/zinc/85/32/36/787853236.db2.gz RPMWDUZLJHWTQV-CYBMUJFWSA-N 0 3 324.856 2.494 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@H]1C ZINC001132056709 787908086 /nfs/dbraw/zinc/90/80/86/787908086.db2.gz CFPRTMKIVIVKCY-CHWSQXEVSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2cc(C)no2)CC[C@@H]1C ZINC001132129628 787939250 /nfs/dbraw/zinc/93/92/50/787939250.db2.gz WVCBGROVZMSSLS-GJZGRUSLSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2nc(C(C)C)no2)CC[C@@H]1C ZINC001132215001 787969028 /nfs/dbraw/zinc/96/90/28/787969028.db2.gz QCDPXQSHQYCCBZ-UONOGXRCSA-N 0 3 320.437 2.281 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132227416 787981287 /nfs/dbraw/zinc/98/12/87/787981287.db2.gz DANTXCZLRVYYJZ-GJZGRUSLSA-N 0 3 304.438 2.064 20 30 DEEDHN C=CCCC[N@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001132236155 787989076 /nfs/dbraw/zinc/98/90/76/787989076.db2.gz ZBCUKPQMWIABAS-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001132236155 787989081 /nfs/dbraw/zinc/98/90/81/787989081.db2.gz ZBCUKPQMWIABAS-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2occc2C)CC[C@H]1C ZINC001132290531 788013822 /nfs/dbraw/zinc/01/38/22/788013822.db2.gz DPIYGDUQPYJHTE-HZPDHXFCSA-N 0 3 320.433 2.302 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001132308267 788021036 /nfs/dbraw/zinc/02/10/36/788021036.db2.gz AWNZOZUFFAKXMV-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001132308641 788021463 /nfs/dbraw/zinc/02/14/63/788021463.db2.gz NJLXQMZLWKCAHW-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001097225368 788027722 /nfs/dbraw/zinc/02/77/22/788027722.db2.gz ZZMHTQJWNADSOY-FPCVCCKLSA-N 0 3 317.433 2.044 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)CC[C@H]1C ZINC001132326640 788036077 /nfs/dbraw/zinc/03/60/77/788036077.db2.gz GQQZHOVCQXQLNW-GDBMZVCRSA-N 0 3 319.449 2.417 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CNC(=O)CCC(C)C)CC[C@H]1C ZINC001132359922 788045711 /nfs/dbraw/zinc/04/57/11/788045711.db2.gz PZPXAJCYEQSXRO-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001132395691 788055375 /nfs/dbraw/zinc/05/53/75/788055375.db2.gz LHXMAKSMRFVSIB-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(C)CCC)CC[C@@H]1C ZINC001132436520 788075068 /nfs/dbraw/zinc/07/50/68/788075068.db2.gz LPSAYORMVMAJKR-KBPBESRZSA-N 0 3 301.862 2.050 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)s1)C(F)(F)F ZINC001132474422 788092127 /nfs/dbraw/zinc/09/21/27/788092127.db2.gz BDQQPIFBQKUQCG-QMMMGPOBSA-N 0 3 305.325 2.024 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001097436083 788101959 /nfs/dbraw/zinc/10/19/59/788101959.db2.gz HMZJQFPEFNCDOY-VMGRFDJRSA-N 0 3 310.401 2.474 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CNC(=O)C(CC)CC)CC[C@@H]1C ZINC001132546169 788121139 /nfs/dbraw/zinc/12/11/39/788121139.db2.gz JBCLBYQOLAFDJK-HOCLYGCPSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CNC(=O)C(CC)CC)CC[C@H]1C ZINC001132546167 788121360 /nfs/dbraw/zinc/12/13/60/788121360.db2.gz JBCLBYQOLAFDJK-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OCC)no1)C2 ZINC001097556110 788133566 /nfs/dbraw/zinc/13/35/66/788133566.db2.gz KNTSFPWKLNZFJX-MCIONIFRSA-N 0 3 319.405 2.375 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001132667756 788160559 /nfs/dbraw/zinc/16/05/59/788160559.db2.gz RMHUHMIKIPRWCJ-CZUORRHYSA-N 0 3 308.397 2.167 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2ocnc2C)C1 ZINC001132785402 788191611 /nfs/dbraw/zinc/19/16/11/788191611.db2.gz HKFKEAQFFZGSLU-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](C)[C@H](CNCc2nccs2)C1 ZINC001132810504 788199135 /nfs/dbraw/zinc/19/91/35/788199135.db2.gz XSTUTQKPCARCGT-HUUCEWRRSA-N 0 3 319.474 2.377 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1F)C2 ZINC001097914646 788270386 /nfs/dbraw/zinc/27/03/86/788270386.db2.gz MIOBILHOOUXIFJ-XYPHTWIQSA-N 0 3 300.377 2.493 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2nccn2C)C1 ZINC001133091245 788279752 /nfs/dbraw/zinc/27/97/52/788279752.db2.gz PICRKUATGSWRKU-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nn(C)c(C)c1Cl)C2 ZINC001097953270 788291591 /nfs/dbraw/zinc/29/15/91/788291591.db2.gz YXLCNGPOBFPTMG-UPJWGTAASA-N 0 3 322.840 2.293 20 30 DEEDHN C=CCCCC(=O)NCCN[C@H](C)C(=O)N(C(C)C)C(C)C ZINC001133154965 788297971 /nfs/dbraw/zinc/29/79/71/788297971.db2.gz ZHCMKLFRVOWLBN-OAHLLOKOSA-N 0 3 311.470 2.082 20 30 DEEDHN C=CCCC1(C(=O)NCCNCC(=O)N(C(C)C)C(C)C)CC1 ZINC001133375882 788396941 /nfs/dbraw/zinc/39/69/41/788396941.db2.gz MYDKULHPILMGJW-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2occc2Cl)s1 ZINC001133418710 788408454 /nfs/dbraw/zinc/40/84/54/788408454.db2.gz DSDXMMSOJLRHAB-UHFFFAOYSA-N 0 3 309.778 2.386 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)C1CC1)NCc1cc(F)ccc1C#N ZINC001133441969 788422970 /nfs/dbraw/zinc/42/29/70/788422970.db2.gz FPDMPJZNYOCCDB-NEPJUHHUSA-N 0 3 303.381 2.480 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001133474385 788444883 /nfs/dbraw/zinc/44/48/83/788444883.db2.gz SLZHSDBPSRDUEI-BDAKNGLRSA-N 0 3 313.186 2.423 20 30 DEEDHN COCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133486484 788447079 /nfs/dbraw/zinc/44/70/79/788447079.db2.gz MCUVUMRRTKTIOW-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc(Cl)[nH]2)c1 ZINC001133500384 788462409 /nfs/dbraw/zinc/46/24/09/788462409.db2.gz CWCANENBBIPVBL-UHFFFAOYSA-N 0 3 302.765 2.059 20 30 DEEDHN CCCOCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133880796 788656371 /nfs/dbraw/zinc/65/63/71/788656371.db2.gz NADWODCIIBCKTM-HUUCEWRRSA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC001133908992 788668142 /nfs/dbraw/zinc/66/81/42/788668142.db2.gz FRILONGWUCTKIN-QWHCGFSZSA-N 0 3 321.421 2.128 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)C(C)(F)F ZINC001133968029 788696486 /nfs/dbraw/zinc/69/64/86/788696486.db2.gz KTQIATBTXGDKJH-SNVBAGLBSA-N 0 3 313.323 2.194 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCCNCC(=C)Cl ZINC001170734339 788788675 /nfs/dbraw/zinc/78/86/75/788788675.db2.gz HSXPINDVSTXAEU-UHFFFAOYSA-N 0 3 309.797 2.108 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(C(F)(F)F)CC2)s1 ZINC001134211644 788804168 /nfs/dbraw/zinc/80/41/68/788804168.db2.gz SNOHUTRLAGSNNN-UHFFFAOYSA-N 0 3 317.336 2.168 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001134428444 788916458 /nfs/dbraw/zinc/91/64/58/788916458.db2.gz NKFPLMMIMSSZOF-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001134410180 788918112 /nfs/dbraw/zinc/91/81/12/788918112.db2.gz HCVAQOOMDYGMKU-UHFFFAOYSA-N 0 3 315.417 2.375 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001134448203 788926418 /nfs/dbraw/zinc/92/64/18/788926418.db2.gz LSAKMRYEJTYBNN-GHMZBOCLSA-N 0 3 314.227 2.410 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1nccn1C ZINC001134449597 788928069 /nfs/dbraw/zinc/92/80/69/788928069.db2.gz VOCHPLNTBIJZHM-UONOGXRCSA-N 0 3 306.454 2.395 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H](F)c2ccccc2)c1 ZINC001134437681 788933898 /nfs/dbraw/zinc/93/38/98/788933898.db2.gz YZDCVGDTKTXEJZ-KRWDZBQOSA-N 0 3 311.360 2.475 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc3ccccn3c2)c1 ZINC001134700755 789039178 /nfs/dbraw/zinc/03/91/78/789039178.db2.gz NCSKBEKQTBFXBQ-UHFFFAOYSA-N 0 3 318.380 2.331 20 30 DEEDHN C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001134710947 789045493 /nfs/dbraw/zinc/04/54/93/789045493.db2.gz CAZZIRRZDZODAD-RYUDHWBXSA-N 0 3 318.421 2.122 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C ZINC001135185088 789236887 /nfs/dbraw/zinc/23/68/87/789236887.db2.gz TYFYBWRMJAANFH-KBPBESRZSA-N 0 3 306.454 2.395 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(C)n(C)n1 ZINC001135236962 789254233 /nfs/dbraw/zinc/25/42/33/789254233.db2.gz ZQJJFYKDSYHFAB-QWHCGFSZSA-N 0 3 306.454 2.314 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(C)o2)C1 ZINC001070394543 789306476 /nfs/dbraw/zinc/30/64/76/789306476.db2.gz LHGPDVTVKIWGQF-CYBMUJFWSA-N 0 3 314.389 2.216 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2cc(OC)no2)C1 ZINC001135427373 789336266 /nfs/dbraw/zinc/33/62/66/789336266.db2.gz QGMXYYQYVQIYJX-STQMWFEESA-N 0 3 321.421 2.412 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001071050914 789506601 /nfs/dbraw/zinc/50/66/01/789506601.db2.gz TYCLHJWWVROEPB-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001071065048 789510122 /nfs/dbraw/zinc/51/01/22/789510122.db2.gz UHXSCPHOVAIGOK-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001135864144 789530383 /nfs/dbraw/zinc/53/03/83/789530383.db2.gz SDUFZBDQCSAFAV-KGLIPLIRSA-N 0 3 317.433 2.455 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2conc2CC)CCC1 ZINC001159638491 789553762 /nfs/dbraw/zinc/55/37/62/789553762.db2.gz UENLRCKJASWKFO-UHFFFAOYSA-N 0 3 303.406 2.027 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001086805478 789561432 /nfs/dbraw/zinc/56/14/32/789561432.db2.gz RLXKVTZYKDKLMC-CABNGKKXSA-N 0 3 300.830 2.038 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@@H](C)O2 ZINC001071171335 789575507 /nfs/dbraw/zinc/57/55/07/789575507.db2.gz LOBJGAAQAZYLQJ-VQIMIIECSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC1(C)CC1)C[C@@H](C)O2 ZINC001071193184 789582884 /nfs/dbraw/zinc/58/28/84/789582884.db2.gz XXNYNJZAGQKXRU-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C)CC=CC1)C[C@H](C)O2 ZINC001071208905 789592883 /nfs/dbraw/zinc/59/28/83/789592883.db2.gz BMSHIWKGMOZWAY-LPHOPBHVSA-N 0 3 316.445 2.058 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C)CC(=C)C1)C[C@H](C)O2 ZINC001071211360 789596280 /nfs/dbraw/zinc/59/62/80/789596280.db2.gz GNIDLAHFTJXPPQ-LPHOPBHVSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1nccs1)C[C@H](C)O2 ZINC001071222564 789600708 /nfs/dbraw/zinc/60/07/08/789600708.db2.gz DEALYDXRGBGWSR-XJKSGUPXSA-N 0 3 321.446 2.025 20 30 DEEDHN CC[C@@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001136086749 789619680 /nfs/dbraw/zinc/61/96/80/789619680.db2.gz CYNBIVNZJDWIKE-PBHICJAKSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cc(OC)ns2)CC[C@@H]1C ZINC001071516756 789753551 /nfs/dbraw/zinc/75/35/51/789753551.db2.gz BHYVQSGNYOSABJ-NWDGAFQWSA-N 0 3 309.435 2.311 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnn2C(F)F)CC[C@H]1C ZINC001071534287 789764427 /nfs/dbraw/zinc/76/44/27/789764427.db2.gz PBVYMHOKMNQPRV-NEPJUHHUSA-N 0 3 312.364 2.437 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)CC[C@H]1C ZINC001071543747 789769409 /nfs/dbraw/zinc/76/94/09/789769409.db2.gz NERKJCQRAUILET-CVEARBPZSA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)CC[C@H]1C ZINC001071562000 789782543 /nfs/dbraw/zinc/78/25/43/789782543.db2.gz YHHCBQRTQRMMFX-HIFRSBDPSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(CC)noc2CC)CC[C@@H]1C ZINC001071576843 789790076 /nfs/dbraw/zinc/79/00/76/789790076.db2.gz QFYYRCVZMRRXJE-KBPBESRZSA-N 0 3 319.449 2.497 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3n(n2)CCCC3)CC[C@@H]1C ZINC001071601211 789805447 /nfs/dbraw/zinc/80/54/47/789805447.db2.gz XVSXHNCXZNYLML-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cncc(OC)c2C)CC[C@H]1C ZINC001071610321 789814555 /nfs/dbraw/zinc/81/45/55/789814555.db2.gz SHFYCDXKTAOJNH-UKRRQHHQSA-N 0 3 315.417 2.005 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)nc2)CC[C@@H]1C ZINC001071662170 789846669 /nfs/dbraw/zinc/84/66/69/789846669.db2.gz BPLYDFUGNRMWSO-ZFWWWQNUSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2nc(C)cc2C)CC[C@H]1C ZINC001071665590 789850220 /nfs/dbraw/zinc/85/02/20/789850220.db2.gz GVQSRYIRALJXDE-ZBFHGGJFSA-N 0 3 304.438 2.045 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C(C)C)cn2)CC[C@H]1C ZINC001071704711 789876168 /nfs/dbraw/zinc/87/61/68/789876168.db2.gz DKHUGWGDSNMVKF-CABCVRRESA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)on2)CC[C@@H]1C ZINC001071705031 789878029 /nfs/dbraw/zinc/87/80/29/789878029.db2.gz JULMVKJZQAJOSX-KBPBESRZSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3ccccc3nn2)CC[C@H]1C ZINC001071728359 789891784 /nfs/dbraw/zinc/89/17/84/789891784.db2.gz LNVPCFQVURKTTR-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3c[nH]nc32)CC[C@@H]1C ZINC001071731535 789893943 /nfs/dbraw/zinc/89/39/43/789893943.db2.gz GBZJOBGKROFHIR-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnc(OCC)c2)CC[C@@H]1C ZINC001071817282 789927582 /nfs/dbraw/zinc/92/75/82/789927582.db2.gz DJEDFEAFVNXFDT-HOCLYGCPSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@@H]1C ZINC001071836068 789936261 /nfs/dbraw/zinc/93/62/61/789936261.db2.gz SITLMYKITMJGRA-ZFWWWQNUSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(CC)oc2C)CC[C@@H]1C ZINC001071886263 789959301 /nfs/dbraw/zinc/95/93/01/789959301.db2.gz AKMZXZZIMHGPQZ-GXTWGEPZSA-N 0 3 303.406 2.151 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc(C)nc2C)CC[C@H]1C ZINC001071907932 789969247 /nfs/dbraw/zinc/96/92/47/789969247.db2.gz JBJXCWFVWVKZNQ-IUODEOHRSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(OC)c2F)CC[C@@H]1C ZINC001071924035 789974650 /nfs/dbraw/zinc/97/46/50/789974650.db2.gz QZPXGZBSCATEIE-KBPBESRZSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2csc(Cl)n2)CC[C@@H]1C ZINC001071967698 789992198 /nfs/dbraw/zinc/99/21/98/789992198.db2.gz OCKIKMOYTYHTPJ-WDEREUQCSA-N 0 3 311.838 2.403 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)CC[C@H]1C ZINC001071983114 789997387 /nfs/dbraw/zinc/99/73/87/789997387.db2.gz WMMPDBPJZZHMKY-ZIAGYGMSSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2coc(CCC)n2)CC[C@@H]1C ZINC001071991199 790000710 /nfs/dbraw/zinc/00/07/10/790000710.db2.gz 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C=CCCOCC(=O)N[C@@H](C)C[C@H](C)NCc1conc1CC ZINC001146684196 791340571 /nfs/dbraw/zinc/34/05/71/791340571.db2.gz ZSSUKQWWEMFMBN-KBPBESRZSA-N 0 3 323.437 2.203 20 30 DEEDHN C=CC[C@@H](C)NC(=O)Cc1csc(SCCN(C)C)n1 ZINC001146832758 791384964 /nfs/dbraw/zinc/38/49/64/791384964.db2.gz HRQKKSVBYWQVBA-LLVKDONJSA-N 0 3 313.492 2.420 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNCc1nccs1 ZINC001075282129 791554907 /nfs/dbraw/zinc/55/49/07/791554907.db2.gz YESFJBAZALPJNU-ZFWWWQNUSA-N 0 3 317.458 2.131 20 30 DEEDHN C=CCCOCCCCC(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001147552351 791567047 /nfs/dbraw/zinc/56/70/47/791567047.db2.gz JRCJCDCOLSGKKQ-UHFFFAOYSA-N 0 3 318.461 2.307 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c3ncccc13)C2 ZINC001098473765 791637344 /nfs/dbraw/zinc/63/73/44/791637344.db2.gz XSNQLCIEFNDRLI-OIISXLGYSA-N 0 3 324.428 2.403 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCN(C(=O)[C@@H](C)CC)C2)nn1 ZINC001098623016 791664764 /nfs/dbraw/zinc/66/47/64/791664764.db2.gz 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/nfs/dbraw/zinc/84/31/55/791843155.db2.gz XHHLNMMHMISTQP-MRXNPFEDSA-N 0 3 313.445 2.365 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ncoc3C)C2)CC1 ZINC001086908148 791845857 /nfs/dbraw/zinc/84/58/57/791845857.db2.gz QNVVOWWFSRHRSD-CQSZACIVSA-N 0 3 315.417 2.323 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cocn3)C2)CC1 ZINC001086910372 791847498 /nfs/dbraw/zinc/84/74/98/791847498.db2.gz RTRLUKNKQMSELK-CQSZACIVSA-N 0 3 301.390 2.015 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ncoc3CC)C2)CC1 ZINC001086911851 791847558 /nfs/dbraw/zinc/84/75/58/791847558.db2.gz BGXPJAYHJLQFNY-CQSZACIVSA-N 0 3 315.417 2.187 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCCO3)C2)CC1 ZINC001086916596 791849444 /nfs/dbraw/zinc/84/94/44/791849444.db2.gz OFBJRGJCPAEMDU-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)Cc3ccc(C)o3)C2)CC1 ZINC001086917146 791850089 /nfs/dbraw/zinc/85/00/89/791850089.db2.gz AKDQEFYDFVOCBY-HNNXBMFYSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3n[nH]cc3C)C2)CC1 ZINC001086922544 791852559 /nfs/dbraw/zinc/85/25/59/791852559.db2.gz UAMFOZZHWOUROQ-HNNXBMFYSA-N 0 3 314.433 2.058 20 30 DEEDHN CC(C)C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)C(=O)N[O-] ZINC001171359890 791869535 /nfs/dbraw/zinc/86/95/35/791869535.db2.gz GNMNXHVKNZIZBV-DOMZBBRYSA-N 0 3 312.360 2.332 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C34CCC(CC3)C4)C[C@]2(C)C1 ZINC001091787858 791884349 /nfs/dbraw/zinc/88/43/49/791884349.db2.gz OHQOYNMHUMRZSD-YDXUJSMASA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccnc3C(F)F)C[C@]2(C)C1 ZINC001091841244 791888492 /nfs/dbraw/zinc/88/84/92/791888492.db2.gz BNHIHIRJKWTTFS-PXAZEXFGSA-N 0 3 319.355 2.046 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2c(Cl)cnn2C)C1 ZINC001098838950 791959119 /nfs/dbraw/zinc/95/91/19/791959119.db2.gz GWRBDFHEZPHKPK-LRDDRELGSA-N 0 3 322.840 2.234 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001098868289 791968935 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C=CCN[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C(F)(F)F ZINC001099259789 792154861 /nfs/dbraw/zinc/15/48/61/792154861.db2.gz ZCISLKWFSJYDFQ-ZIAGYGMSSA-N 0 3 312.335 2.450 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1nonc1C ZINC001099291767 792161298 /nfs/dbraw/zinc/16/12/98/792161298.db2.gz MGZARKWDDNMFNS-AWEZNQCLSA-N 0 3 320.437 2.103 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1C(F)(F)F ZINC001099312777 792169068 /nfs/dbraw/zinc/16/90/68/792169068.db2.gz GRAQNLWVJOZUSR-IJLUTSLNSA-N 0 3 302.340 2.342 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C(F)(F)F ZINC001099324950 792170506 /nfs/dbraw/zinc/17/05/06/792170506.db2.gz ZHRDCNSXBSAMRQ-CHWSQXEVSA-N 0 3 313.323 2.169 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCCC(=O)NC ZINC001099358787 792181707 /nfs/dbraw/zinc/18/17/07/792181707.db2.gz KXHUJMHCQIJRKS-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2cccs2)C[C@H]1O ZINC001099959970 792420357 /nfs/dbraw/zinc/42/03/57/792420357.db2.gz 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/nfs/dbraw/zinc/73/90/63/792739063.db2.gz KGUXLQMTEHFXMN-KTAKPFMOSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3cnc(C)cn3)C2)C1 ZINC001100662118 792774272 /nfs/dbraw/zinc/77/42/72/792774272.db2.gz GTTDDCRAGMHQQP-UHFFFAOYSA-N 0 3 314.433 2.126 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(C#C)cc3)CCC[C@@H]12 ZINC001094487344 792935469 /nfs/dbraw/zinc/93/54/69/792935469.db2.gz UMCDLFNXENJZGG-UYAOXDASSA-N 0 3 306.409 2.276 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccccc2OC)C1 ZINC001100951267 792936424 /nfs/dbraw/zinc/93/64/24/792936424.db2.gz ZKHKZENLUGQVGL-UHFFFAOYSA-N 0 3 322.836 2.475 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3conc3C3CC3)CCC[C@@H]12 ZINC001094508589 792952222 /nfs/dbraw/zinc/95/22/22/792952222.db2.gz CXXVHNZSGQQBQN-CRAIPNDOSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc(OC)c3)CCC[C@@H]12 ZINC001094566382 792985771 /nfs/dbraw/zinc/98/57/71/792985771.db2.gz YRYNVZXROYYDFY-IEBWSBKVSA-N 0 3 312.413 2.303 20 30 DEEDHN CC(C)C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)C(=O)N[O-] ZINC001171471379 793106014 /nfs/dbraw/zinc/10/60/14/793106014.db2.gz HGMXAOVNWOUFDR-WFASDCNBSA-N 0 3 312.360 2.332 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC(F)(F)F)C[C@]2(C)C1 ZINC001101418493 793150227 /nfs/dbraw/zinc/15/02/27/793150227.db2.gz UXWHJYDFXZBRKG-DOMZBBRYSA-N 0 3 316.367 2.379 20 30 DEEDHN CCOC(=O)C1(C)CCC(N2CCN(CCC#N)CC2)CC1 ZINC001171955565 793257675 /nfs/dbraw/zinc/25/76/75/793257675.db2.gz NKHYOEDKALDMPF-UHFFFAOYSA-N 0 3 307.438 2.030 20 30 DEEDHN N=C(N[C@@H]1CCN(C2CC2)C(=O)C1)c1ccc2ccccc2n1 ZINC001172009713 793280638 /nfs/dbraw/zinc/28/06/38/793280638.db2.gz QXDRHRDKZCECPB-CYBMUJFWSA-N 0 3 308.385 2.094 20 30 DEEDHN Cc1noc(C)c1CN1C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C1 ZINC001101946033 793453985 /nfs/dbraw/zinc/45/39/85/793453985.db2.gz XOCPBVSZFMMMDZ-CZUORRHYSA-N 0 3 317.433 2.135 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)[C@H](C)C1 ZINC001102242671 793542966 /nfs/dbraw/zinc/54/29/66/793542966.db2.gz HAISBAULOWTYPT-ZACQAIPSSA-N 0 3 320.477 2.147 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CN(Cc2conc2C)C[C@H]1C ZINC001102252937 793545805 /nfs/dbraw/zinc/54/58/05/793545805.db2.gz UXMGKNZDQYREIY-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC[C@H](O)CC2)C[C@H]1C#N ZINC001172980703 793549429 /nfs/dbraw/zinc/54/94/29/793549429.db2.gz OWGLCVVJTFVHNL-KKUMJFAQSA-N 0 3 323.437 2.125 20 30 DEEDHN COc1cccc2c1C[C@@H](N1CCC3SC(=O)C=C3C1)CO2 ZINC001173155485 793610285 /nfs/dbraw/zinc/61/02/85/793610285.db2.gz UISAZVYRVLMUTL-WBMJQRKESA-N 0 3 317.410 2.273 20 30 DEEDHN C=CCOC1CCC(N[C@@H]2C(=O)NCc3ccccc32)CC1 ZINC001173313806 793676646 /nfs/dbraw/zinc/67/66/46/793676646.db2.gz FICPRESDNOQWPZ-DQPZFDDXSA-N 0 3 300.402 2.461 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3cncnc3)CC2)CC1 ZINC001173326935 793679213 /nfs/dbraw/zinc/67/92/13/793679213.db2.gz WDLROWDWKXLQCQ-UHFFFAOYSA-N 0 3 302.422 2.112 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCCOC)C1 ZINC001102707502 793721653 /nfs/dbraw/zinc/72/16/53/793721653.db2.gz TVZCQWPARCIPGO-TZMCWYRMSA-N 0 3 302.846 2.240 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103000996 793874505 /nfs/dbraw/zinc/87/45/05/793874505.db2.gz NRJKVQMTGVLUHK-FPCVCCKLSA-N 0 3 312.429 2.011 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001175469988 794213980 /nfs/dbraw/zinc/21/39/80/794213980.db2.gz XUAGQMDOCGLRCX-ZDUSSCGKSA-N 0 3 321.469 2.480 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001175468312 794214232 /nfs/dbraw/zinc/21/42/32/794214232.db2.gz FYUULYFBWNDKBH-CQSZACIVSA-N 0 3 321.469 2.182 20 30 DEEDHN CC(=O)N1C[C@@H](C)[C@H](CCNCc2ccc(C#N)cc2F)C1 ZINC001103799128 794231381 /nfs/dbraw/zinc/23/13/81/794231381.db2.gz JPHJTXZDXKZYPK-MLGOLLRUSA-N 0 3 303.381 2.291 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2conc2C)C1 ZINC001104126740 794390033 /nfs/dbraw/zinc/39/00/33/794390033.db2.gz ZJNDJNVAIPZNGD-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1C ZINC001104159917 794402422 /nfs/dbraw/zinc/40/24/22/794402422.db2.gz FNGYKYYRLXWVFK-YUSALJHKSA-N 0 3 306.784 2.468 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001176495085 794440728 /nfs/dbraw/zinc/44/07/28/794440728.db2.gz VKOYLIPBFUCSTR-SNVBAGLBSA-N 0 3 312.845 2.054 20 30 DEEDHN Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741015 794464356 /nfs/dbraw/zinc/46/43/56/794464356.db2.gz YKARPOJGMQHMOX-PXNSSMCTSA-N 0 3 323.440 2.274 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001176813705 794504401 /nfs/dbraw/zinc/50/44/01/794504401.db2.gz AIMBNPDUHKBBDM-ZIAGYGMSSA-N 0 3 323.437 2.339 20 30 DEEDHN CC(C)=CCN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112070983 794555221 /nfs/dbraw/zinc/55/52/21/794555221.db2.gz MQSHGQTYENMQCB-IJLUTSLNSA-N 0 3 303.328 2.091 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@H]1C(F)(F)F ZINC001112084943 794557196 /nfs/dbraw/zinc/55/71/96/794557196.db2.gz UMXCTMFCDAGZDO-IJLUTSLNSA-N 0 3 322.396 2.130 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C(F)(F)F ZINC001112100639 794559859 /nfs/dbraw/zinc/55/98/59/794559859.db2.gz IGEQXYXVWCRYPD-NXEZZACHSA-N 0 3 324.293 2.034 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C(F)(F)F ZINC001112133305 794562818 /nfs/dbraw/zinc/56/28/18/794562818.db2.gz IMKMZVAJJXPXRL-VXGBXAGGSA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccc2ccccc21 ZINC001115217509 794706821 /nfs/dbraw/zinc/70/68/21/794706821.db2.gz WRZMEHBKGOCZKT-MNZLEMJZSA-N 0 3 309.413 2.264 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN1Cc1ccco1 ZINC001177625434 794714047 /nfs/dbraw/zinc/71/40/47/794714047.db2.gz DYJWCJVJPIQUPE-DOTOQJQBSA-N 0 3 317.433 2.011 20 30 DEEDHN CCOc1cnc(NC(=O)C(C#N)Cc2cccs2)cn1 ZINC001177903042 794772444 /nfs/dbraw/zinc/77/24/44/794772444.db2.gz DNRSBDBAXSYVBK-JTQLQIEISA-N 0 3 302.359 2.258 20 30 DEEDHN C[C@H](C(=O)NCC1(NCC#N)CCCCC1)N1CCCCCC1 ZINC001115759979 794910957 /nfs/dbraw/zinc/91/09/57/794910957.db2.gz HRSHOMCBWXODAP-MRXNPFEDSA-N 0 3 320.481 2.183 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccncn2)CCCCC1 ZINC001115780363 794917922 /nfs/dbraw/zinc/91/79/22/794917922.db2.gz WEQOHZIDIGHZHD-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C(C)C)[C@@H]1C ZINC001178805632 795000095 /nfs/dbraw/zinc/00/00/95/795000095.db2.gz IRUGVZZWGUXFNE-PMPSAXMXSA-N 0 3 323.481 2.177 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)C1CCCCC1)C2 ZINC001110224072 795002433 /nfs/dbraw/zinc/00/24/33/795002433.db2.gz HBSCYOBMLXUCSR-VSZNYVQBSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001179384294 795110690 /nfs/dbraw/zinc/11/06/90/795110690.db2.gz IXJFGKBCBKDOHL-ZOBUZTSGSA-N 0 3 318.465 2.410 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(CC=C)CCCC2)C1 ZINC001150884209 795179695 /nfs/dbraw/zinc/17/96/95/795179695.db2.gz UZVSEARWEVRAHN-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCCOCC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001180427318 795294532 /nfs/dbraw/zinc/29/45/32/795294532.db2.gz DAYOIZCFYQJMNN-UHFFFAOYSA-N 0 3 323.437 2.342 20 30 DEEDHN CCOc1ccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(O)c1 ZINC001119516057 795315991 /nfs/dbraw/zinc/31/59/91/795315991.db2.gz NPEGMBATRWEHIZ-OKILXGFUSA-N 0 3 303.406 2.209 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2ocnc2C)C1 ZINC001181325397 795458526 /nfs/dbraw/zinc/45/85/26/795458526.db2.gz SMIXUIQZIQHIIH-RDTXWAMCSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]([C@H]2CCCN2CCF)C1 ZINC001120469918 795467554 /nfs/dbraw/zinc/46/75/54/795467554.db2.gz NPDUZOZNDQEQEV-JKSUJKDBSA-N 0 3 312.429 2.252 20 30 DEEDHN C#CCn1cc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cn1 ZINC001120511006 795475211 /nfs/dbraw/zinc/47/52/11/795475211.db2.gz CELNLINRDWUQPC-HNNXBMFYSA-N 0 3 307.756 2.132 20 30 DEEDHN CSC[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181662006 795515840 /nfs/dbraw/zinc/51/58/40/795515840.db2.gz KXZLFUBUGMWBPZ-VXGBXAGGSA-N 0 3 323.487 2.309 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cc(C)no3)C2)C1 ZINC001120788044 795530908 /nfs/dbraw/zinc/53/09/08/795530908.db2.gz ZXHYNVMWEBDANB-UHFFFAOYSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)/C=C/c2ccc[nH]2)CC1 ZINC001151084083 795606812 /nfs/dbraw/zinc/60/68/12/795606812.db2.gz KLZUZGARMOSRSA-VOTSOKGWSA-N 0 3 317.433 2.201 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)/C=C\c2ccc[nH]2)CC1 ZINC001151084082 795607358 /nfs/dbraw/zinc/60/73/58/795607358.db2.gz KLZUZGARMOSRSA-SREVYHEPSA-N 0 3 317.433 2.201 20 30 DEEDHN C#C[C@@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2CC=C)C1 ZINC001121497676 795640363 /nfs/dbraw/zinc/64/03/63/795640363.db2.gz SSHQONQFPTVBSR-CVEARBPZSA-N 0 3 313.449 2.123 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1 ZINC001121858599 795696652 /nfs/dbraw/zinc/69/66/52/795696652.db2.gz UJPJNMDRHAAARW-CABCVRRESA-N 0 3 322.380 2.230 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC001121946083 795708021 /nfs/dbraw/zinc/70/80/21/795708021.db2.gz LPLFXKOXIVPMQJ-IAGOWNOFSA-N 0 3 301.434 2.185 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccn(C(C)C)n1 ZINC001122498559 795767842 /nfs/dbraw/zinc/76/78/42/795767842.db2.gz OJDORTIORUESCI-CQSZACIVSA-N 0 3 304.394 2.022 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cncnc1C ZINC001122626350 795787424 /nfs/dbraw/zinc/78/74/24/795787424.db2.gz XMWHNTZAABLCBD-LBPRGKRZSA-N 0 3 324.340 2.145 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC001183332951 795858163 /nfs/dbraw/zinc/85/81/63/795858163.db2.gz RJWXBRALFGASIZ-CQSZACIVSA-N 0 3 317.433 2.119 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001151351635 795920979 /nfs/dbraw/zinc/92/09/79/795920979.db2.gz DTASBKLKRUXFCW-JKSUJKDBSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC001183755518 795933504 /nfs/dbraw/zinc/93/35/04/795933504.db2.gz AERAFILIAAKNGC-ZWKOTPCHSA-N 0 3 313.445 2.028 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cnns2)[C@@H](C)C1 ZINC001184076946 795981133 /nfs/dbraw/zinc/98/11/33/795981133.db2.gz DSLNGHRDRUDSRW-QWHCGFSZSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C[C@@H](CO)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184407578 796059058 /nfs/dbraw/zinc/05/90/58/796059058.db2.gz SPJRSSGXOBAJBQ-ZBFHGGJFSA-N 0 3 322.836 2.215 20 30 DEEDHN C=CCCC(=O)NCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC001124640353 796079619 /nfs/dbraw/zinc/07/96/19/796079619.db2.gz FEJQBNAVHFPWAY-UHFFFAOYSA-N 0 3 324.808 2.283 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2nc(Cl)sc2Cl)C1 ZINC001184807132 796121594 /nfs/dbraw/zinc/12/15/94/796121594.db2.gz VWLCTCWMIHQONI-MRVPVSSYSA-N 0 3 318.229 2.277 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001184815452 796132283 /nfs/dbraw/zinc/13/22/83/796132283.db2.gz XTYXMAMUBXXQAN-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001185056515 796171035 /nfs/dbraw/zinc/17/10/35/796171035.db2.gz ORFFMULYPJMESE-XJKSGUPXSA-N 0 3 304.438 2.021 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001185064216 796173258 /nfs/dbraw/zinc/17/32/58/796173258.db2.gz NPNOQHWDQCJASK-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@](F)(CO)CC2)cc1OC ZINC001138343999 796201712 /nfs/dbraw/zinc/20/17/12/796201712.db2.gz UTYLHOUDSQOISG-GOSISDBHSA-N 0 3 321.392 2.394 20 30 DEEDHN C#CCOc1ccc(CN(CCC(=O)OC)C2CC2)cc1OC ZINC001138346553 796201794 /nfs/dbraw/zinc/20/17/94/796201794.db2.gz HYPICNYUYHPOAZ-UHFFFAOYSA-N 0 3 317.385 2.235 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202845586 796240967 /nfs/dbraw/zinc/24/09/67/796240967.db2.gz DJZAGDODUYDQQU-HUUCEWRRSA-N 0 3 317.458 2.464 20 30 DEEDHN C=CCCc1ccc(C(=O)NC[C@@H]2CCCN2CC=C)c(=O)[nH]1 ZINC001185371401 796251683 /nfs/dbraw/zinc/25/16/83/796251683.db2.gz FSXXTEZBSDSQDU-HNNXBMFYSA-N 0 3 315.417 2.286 20 30 DEEDHN Cc1ncc(CN[C@@H]2C[C@@H](NC(=O)C#CC(C)C)C23CCC3)o1 ZINC001202878114 796303389 /nfs/dbraw/zinc/30/33/89/796303389.db2.gz RJXAAWGBKVYWTB-HZPDHXFCSA-N 0 3 315.417 2.159 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202910019 796346990 /nfs/dbraw/zinc/34/69/90/796346990.db2.gz LLUAEFLQGXCVNF-LSDHHAIUSA-N 0 3 315.442 2.074 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC001186002769 796347566 /nfs/dbraw/zinc/34/75/66/796347566.db2.gz RMDDAXKEVIJFJT-CQSZACIVSA-N 0 3 300.333 2.399 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2csc(C(C)(C)C)n2)C1 ZINC001186363051 796394546 /nfs/dbraw/zinc/39/45/46/796394546.db2.gz SAGQMOVJIURZDS-GFCCVEGCSA-N 0 3 305.447 2.268 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001186662643 796431402 /nfs/dbraw/zinc/43/14/02/796431402.db2.gz KDNSXALDXWHORS-DOTOQJQBSA-N 0 3 318.392 2.175 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccnc(F)c2)CC1 ZINC001139835455 796434548 /nfs/dbraw/zinc/43/45/48/796434548.db2.gz YXNWDJAZCODGNU-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2ccon2)C12CCC2 ZINC001203169028 796493940 /nfs/dbraw/zinc/49/39/40/796493940.db2.gz NXELSPKJVUXGIF-UONOGXRCSA-N 0 3 323.824 2.377 20 30 DEEDHN N#Cc1cccc(C2CCN(CC3C(=O)N=CNC3=O)CC2)c1 ZINC001140475442 796527244 /nfs/dbraw/zinc/52/72/44/796527244.db2.gz KLTPWQNMFTYCAW-UHFFFAOYSA-N 0 3 310.357 2.139 20 30 DEEDHN CCOC(=O)N1CCC(N(C)Cc2ccc(C#N)nc2)CC1 ZINC001140545876 796537557 /nfs/dbraw/zinc/53/75/57/796537557.db2.gz NVYLMXGYBNEDCR-UHFFFAOYSA-N 0 3 302.378 2.006 20 30 DEEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c(C)nn(C)c1C)C2 ZINC001203057884 796557199 /nfs/dbraw/zinc/55/71/99/796557199.db2.gz ILYFNWQZKSLAOQ-AEFFLSMTSA-N 0 3 319.449 2.363 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2coc3cc(C)ccc23)C1 ZINC001187650132 796562277 /nfs/dbraw/zinc/56/22/77/796562277.db2.gz WHYCTVXMCPYMFA-MRXNPFEDSA-N 0 3 310.397 2.498 20 30 DEEDHN COc1cc(O)cc(OC)c1CN1CCC2SC(=O)C=C2C1 ZINC001140768907 796570462 /nfs/dbraw/zinc/57/04/62/796570462.db2.gz PGFHLULAXVCITA-HNNXBMFYSA-N 0 3 321.398 2.184 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H]2CN(CCOCCC(C)C)C[C@H]21 ZINC001187827273 796593211 /nfs/dbraw/zinc/59/32/11/796593211.db2.gz BYTJJSOEMUOKME-ZWKOTPCHSA-N 0 3 320.477 2.241 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001187871078 796598312 /nfs/dbraw/zinc/59/83/12/796598312.db2.gz GXOMSGKZNZUXQB-CQSZACIVSA-N 0 3 316.449 2.028 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC001187946835 796606458 /nfs/dbraw/zinc/60/64/58/796606458.db2.gz WOSKBRIYTPJXQG-MRXNPFEDSA-N 0 3 318.392 2.199 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCC3CCOCC3)[C@@H]2C1 ZINC001188165891 796635110 /nfs/dbraw/zinc/63/51/10/796635110.db2.gz SIZHBOWRDHOPHX-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC001141168410 796643852 /nfs/dbraw/zinc/64/38/52/796643852.db2.gz NKNNFVCENCUNBC-UHFFFAOYSA-N 0 3 305.397 2.242 20 30 DEEDHN CC[C@H](CC#N)NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142349543 796736948 /nfs/dbraw/zinc/73/69/48/796736948.db2.gz BQSRZIJIBYBYEK-MRXNPFEDSA-N 0 3 300.406 2.102 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CC1CCCCC1 ZINC001151748348 796774565 /nfs/dbraw/zinc/77/45/65/796774565.db2.gz JTOQUILYCOOSJM-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](N(C)CCOC2CCC2)C1 ZINC001189243049 796789953 /nfs/dbraw/zinc/78/99/53/796789953.db2.gz PTQRJIAWIWGTEO-HOTGVXAUSA-N 0 3 324.465 2.069 20 30 DEEDHN Cc1ccccc1OCCN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001189401516 796822618 /nfs/dbraw/zinc/82/26/18/796822618.db2.gz XVURITLOFYRQCF-HZPDHXFCSA-N 0 3 315.417 2.066 20 30 DEEDHN Cc1ccccc1OCCN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001189401515 796822883 /nfs/dbraw/zinc/82/28/83/796822883.db2.gz XVURITLOFYRQCF-HOTGVXAUSA-N 0 3 315.417 2.066 20 30 DEEDHN Cc1cccc(OCCN(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c1 ZINC001189401574 796823089 /nfs/dbraw/zinc/82/30/89/796823089.db2.gz YVNJHJIWHNNFGI-CVEARBPZSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001189557216 796844451 /nfs/dbraw/zinc/84/44/51/796844451.db2.gz RPYYTDOHZITAHQ-AWEZNQCLSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001189651331 796866425 /nfs/dbraw/zinc/86/64/25/796866425.db2.gz HVHFHMPMWUEKAO-HNNXBMFYSA-N 0 3 306.406 2.245 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150247173 796930958 /nfs/dbraw/zinc/93/09/58/796930958.db2.gz NAAOWFYRXINNEV-GOEBONIOSA-N 0 3 300.418 2.155 20 30 DEEDHN C=CCCC1(C(=O)NC[C@H]2CN(CCCF)CCCO2)CC1 ZINC001150254672 796931813 /nfs/dbraw/zinc/93/18/13/796931813.db2.gz SAXFUPVQTWTSPB-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001150436940 796942620 /nfs/dbraw/zinc/94/26/20/796942620.db2.gz YYEYANTULWJNGK-RDJZCZTQSA-N 0 3 320.433 2.241 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001150561645 796954602 /nfs/dbraw/zinc/95/46/02/796954602.db2.gz DNXDBZBRHCCZIH-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](C)n2cccc2)CC1 ZINC001151080527 797008952 /nfs/dbraw/zinc/00/89/52/797008952.db2.gz RLVZARJYVNVPRH-MRXNPFEDSA-N 0 3 319.449 2.222 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001190922142 797114340 /nfs/dbraw/zinc/11/43/40/797114340.db2.gz DWTFNHQXGYUISO-HUUCEWRRSA-N 0 3 310.463 2.493 20 30 DEEDHN Cc1cccc(CNC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001190979429 797117817 /nfs/dbraw/zinc/11/78/17/797117817.db2.gz MAHGQNWUJNCWAJ-CQSZACIVSA-N 0 3 302.399 2.479 20 30 DEEDHN Cc1ccc(CC(=O)NCCNCc2cccc(C#N)c2)s1 ZINC001152324516 797171692 /nfs/dbraw/zinc/17/16/92/797171692.db2.gz WLZGWAQROQNNQB-UHFFFAOYSA-N 0 3 313.426 2.377 20 30 DEEDHN CCN(Cc1ccc(F)c(F)c1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414276 797184526 /nfs/dbraw/zinc/18/45/26/797184526.db2.gz YQPPHRWUTKUQCU-NWDGAFQWSA-N 0 3 309.360 2.451 20 30 DEEDHN N#Cc1cnn2c1[nH]c(CNC1(c3ccccc3)CCC1)cc2=O ZINC001191627522 797232508 /nfs/dbraw/zinc/23/25/08/797232508.db2.gz RWZWXIWGNHYMFY-UHFFFAOYSA-N 0 3 319.368 2.476 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H](C)c2cc(C)ccc2C)C[C@H]1O ZINC001191646038 797240685 /nfs/dbraw/zinc/24/06/85/797240685.db2.gz UOUYBFIVKXKOAM-KBAYOESNSA-N 0 3 316.445 2.492 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)c1 ZINC001152977380 797261357 /nfs/dbraw/zinc/26/13/57/797261357.db2.gz IMUFOEPOLXWJHX-MEUBEVTNSA-N 0 3 309.413 2.056 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC001191889101 797281494 /nfs/dbraw/zinc/28/14/94/797281494.db2.gz ATUGTIPYFLLNCU-NVXWUHKLSA-N 0 3 318.465 2.098 20 30 DEEDHN CC(C)CCO[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001153165766 797293539 /nfs/dbraw/zinc/29/35/39/797293539.db2.gz BZYVCZUCUOEIBB-OAHLLOKOSA-N 0 3 317.433 2.215 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CC(C)(C)C1CC1 ZINC001153226903 797302510 /nfs/dbraw/zinc/30/25/10/797302510.db2.gz MFBLDEUJGHMLPF-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN CCN(CCc1csc(C)n1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232552 797303527 /nfs/dbraw/zinc/30/35/27/797303527.db2.gz HYZUNTJCANLNFK-CYBMUJFWSA-N 0 3 319.474 2.234 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001192037865 797309377 /nfs/dbraw/zinc/30/93/77/797309377.db2.gz NWTPCHKJJMMUFA-JJTUDDRGSA-N 0 3 308.466 2.164 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001153287705 797316636 /nfs/dbraw/zinc/31/66/36/797316636.db2.gz NCZIQTKQSOODCS-CQSZACIVSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001153312564 797320382 /nfs/dbraw/zinc/32/03/82/797320382.db2.gz KRJNAQLRVPRYKD-HUUCEWRRSA-N 0 3 315.889 2.438 20 30 DEEDHN COCC#CCNCCNC(=O)CCC(C)(C)c1ccccc1 ZINC001153325076 797322022 /nfs/dbraw/zinc/32/20/22/797322022.db2.gz SVCVZMZIBOWLFL-UHFFFAOYSA-N 0 3 316.445 2.100 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001153355246 797326701 /nfs/dbraw/zinc/32/67/01/797326701.db2.gz ZDOUFDDQDAZMCB-CQSZACIVSA-N 0 3 304.438 2.072 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001192163313 797329705 /nfs/dbraw/zinc/32/97/05/797329705.db2.gz VDXZFEBAASUONQ-XJKSGUPXSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](N(C)CCn3cccn3)C2)CCC1 ZINC001192190305 797334530 /nfs/dbraw/zinc/33/45/30/797334530.db2.gz MHCUFFHEJZHYFS-MRXNPFEDSA-N 0 3 316.449 2.162 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001153452819 797340327 /nfs/dbraw/zinc/34/03/27/797340327.db2.gz ZHOLIZRPARLZEH-CYBMUJFWSA-N 0 3 304.438 2.171 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(F)cccc1OC ZINC001153542303 797350470 /nfs/dbraw/zinc/35/04/70/797350470.db2.gz QOTLHJZUCNPHKI-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnn1CC(C)C ZINC001153667348 797373555 /nfs/dbraw/zinc/37/35/55/797373555.db2.gz SBNIPEMZGXGDIC-OAHLLOKOSA-N 0 3 304.438 2.003 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccnn1C1CCCC1 ZINC001153667051 797374056 /nfs/dbraw/zinc/37/40/56/797374056.db2.gz JTFVEHUGBLNEFW-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(C)cc2F)C1 ZINC001192522991 797400896 /nfs/dbraw/zinc/40/08/96/797400896.db2.gz NKIGEPPHBJTFIC-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 ZINC001192489271 797403145 /nfs/dbraw/zinc/40/31/45/797403145.db2.gz CJCRDTZWYCGPCU-KRWDZBQOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001192591776 797417780 /nfs/dbraw/zinc/41/77/80/797417780.db2.gz WKEWFRDAJMCNSX-NWANDNLSSA-N 0 3 306.406 2.026 20 30 DEEDHN COCC#CCNCCNC(=O)c1cc2cccc(Cl)c2o1 ZINC001153898119 797420025 /nfs/dbraw/zinc/42/00/25/797420025.db2.gz RIHICFIXTIEDNV-UHFFFAOYSA-N 0 3 320.776 2.055 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COC/C=C\c1ccccc1 ZINC001153994736 797439872 /nfs/dbraw/zinc/43/98/72/797439872.db2.gz NZJJZMNZWCMXGZ-QJWNTBNXSA-N 0 3 314.429 2.176 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1OCC=C ZINC001154053086 797452127 /nfs/dbraw/zinc/45/21/27/797452127.db2.gz KGJKXVWEXDOXOO-OAHLLOKOSA-N 0 3 300.402 2.325 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001154103097 797463880 /nfs/dbraw/zinc/46/38/80/797463880.db2.gz SSGFJGZFYGGPJT-CRAIPNDOSA-N 0 3 314.429 2.264 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001154116322 797466516 /nfs/dbraw/zinc/46/65/16/797466516.db2.gz HZPBQXVTYVDRIA-DZGCQCFKSA-N 0 3 304.438 2.236 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1coc(C(F)(F)F)n1 ZINC001154185763 797480678 /nfs/dbraw/zinc/48/06/78/797480678.db2.gz CBDRFBVVVYCFTQ-SNVBAGLBSA-N 0 3 317.311 2.157 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(COC)cs1 ZINC001154193527 797482210 /nfs/dbraw/zinc/48/22/10/797482210.db2.gz FBRPMSYSLXJNSB-CYBMUJFWSA-N 0 3 308.447 2.358 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nncc2ccccc21 ZINC001154269476 797500565 /nfs/dbraw/zinc/50/05/65/797500565.db2.gz JULJXOKNGKQNQB-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)(C)C)on1 ZINC001154278633 797502865 /nfs/dbraw/zinc/50/28/65/797502865.db2.gz JZWUDPWZPPXBPK-CYBMUJFWSA-N 0 3 305.422 2.436 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001154443763 797536605 /nfs/dbraw/zinc/53/66/05/797536605.db2.gz CPKZSACLNGGLCO-CYBMUJFWSA-N 0 3 314.389 2.133 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CC=CCC1 ZINC001154536003 797556819 /nfs/dbraw/zinc/55/68/19/797556819.db2.gz QNKRCNQNYLWMOD-GFCCVEGCSA-N 0 3 301.228 2.347 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154631365 797579492 /nfs/dbraw/zinc/57/94/92/797579492.db2.gz KQYYBILNJNNGIT-IAGOWNOFSA-N 0 3 306.450 2.209 20 30 DEEDHN N#Cc1cccc(C[NH2+]CCCNC(=O)c2ccccc2[O-])c1 ZINC001154760316 797605749 /nfs/dbraw/zinc/60/57/49/797605749.db2.gz YTURXMOZFYKIRX-UHFFFAOYSA-N 0 3 309.369 2.174 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001154784776 797610162 /nfs/dbraw/zinc/61/01/62/797610162.db2.gz LBXXRXFCYUVTEO-NVXWUHKLSA-N 0 3 313.445 2.351 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cn(C)c2ccccc12 ZINC001154914859 797637879 /nfs/dbraw/zinc/63/78/79/797637879.db2.gz UXLYCUFEWNDYHG-OAHLLOKOSA-N 0 3 311.429 2.181 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)COC1CCCC1 ZINC001155059035 797672668 /nfs/dbraw/zinc/67/26/68/797672668.db2.gz BSGYSZGOFHJTKT-UHFFFAOYSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC(C)(F)F)C1 ZINC001194218866 797695563 /nfs/dbraw/zinc/69/55/63/797695563.db2.gz YTPPNNBGGKFPTR-ZIAGYGMSSA-N 0 3 318.408 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001194275035 797697142 /nfs/dbraw/zinc/69/71/42/797697142.db2.gz QSLWXJGSBQXSAM-IIAWOOMASA-N 0 3 300.418 2.032 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1cccc(C)c1C ZINC001155594004 797798652 /nfs/dbraw/zinc/79/86/52/797798652.db2.gz WBNAYWNRLSQHBO-UHFFFAOYSA-N 0 3 317.433 2.304 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1cccnc1 ZINC001155612467 797805297 /nfs/dbraw/zinc/80/52/97/797805297.db2.gz WRWJHWXKFIOXSV-HZPDHXFCSA-N 0 3 301.434 2.425 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001155724874 797836143 /nfs/dbraw/zinc/83/61/43/797836143.db2.gz HPDFUBUNZCBMSL-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001195634813 797932486 /nfs/dbraw/zinc/93/24/86/797932486.db2.gz TWKSYXJZFIVNIW-IAGOWNOFSA-N 0 3 320.477 2.330 20 30 DEEDHN CC(C)C#CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001195754627 797949128 /nfs/dbraw/zinc/94/91/28/797949128.db2.gz QSMYITWCGDQQOE-UHFFFAOYSA-N 0 3 304.459 2.484 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCCCC)C[C@H]2O)CC1 ZINC001195876142 797979137 /nfs/dbraw/zinc/97/91/37/797979137.db2.gz INGJQDZQXCYXNB-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CC/C=C/CC)C[C@H]2O)CC1 ZINC001195905801 797981872 /nfs/dbraw/zinc/98/18/72/797981872.db2.gz CSZFIVYIWGORRT-HIFBNBFRSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC/C=C\CCC)C[C@H]2O)C1 ZINC001196029160 797998139 /nfs/dbraw/zinc/99/81/39/797998139.db2.gz FPMOYVDLRFFLNZ-JTUDCUDASA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2ncc(OC)cc2F)CC1 ZINC001196077684 798003616 /nfs/dbraw/zinc/00/36/16/798003616.db2.gz AVZWFKUHIXDIOQ-UHFFFAOYSA-N 0 3 321.396 2.343 20 30 DEEDHN C#CCC1(C(=O)N2CCCN(CC[C@@H](C)F)CC2)CCOCC1 ZINC001196106924 798007099 /nfs/dbraw/zinc/00/70/99/798007099.db2.gz ATHIVODJQPQZFB-MRXNPFEDSA-N 0 3 324.440 2.089 20 30 DEEDHN C=CCCN1CCCN(C(=O)C(C)(C)COCC(F)F)CC1 ZINC001196648309 798087125 /nfs/dbraw/zinc/08/71/25/798087125.db2.gz IORUMRZAKCGNIN-UHFFFAOYSA-N 0 3 318.408 2.405 20 30 DEEDHN CC#CCCCC(=O)N1CCCN(C[C@H]2CC[C@@H](C)O2)CC1 ZINC001196846373 798113486 /nfs/dbraw/zinc/11/34/86/798113486.db2.gz CRGACFFAKZVWCT-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)Cc2ccoc2)c1 ZINC001156966017 798118037 /nfs/dbraw/zinc/11/80/37/798118037.db2.gz JZYLARKLMOLZQJ-UHFFFAOYSA-N 0 3 315.348 2.129 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)nn(CC)c1Cl ZINC001157000755 798125972 /nfs/dbraw/zinc/12/59/72/798125972.db2.gz OXHYQSUXPQKBDA-GFCCVEGCSA-N 0 3 324.856 2.328 20 30 DEEDHN Cc1cc(C(=O)NCCCNCc2ccccc2C#N)ns1 ZINC001157209067 798163175 /nfs/dbraw/zinc/16/31/75/798163175.db2.gz SGXIXYSTUAVJTF-UHFFFAOYSA-N 0 3 314.414 2.233 20 30 DEEDHN C=CCn1cc(C(=O)N2CCCN(CCCCCC)CC2)nn1 ZINC001197370492 798183650 /nfs/dbraw/zinc/18/36/50/798183650.db2.gz YOFVARIHNRLYME-UHFFFAOYSA-N 0 3 319.453 2.192 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2cn(CC)nn2)CC1 ZINC001197614716 798210250 /nfs/dbraw/zinc/21/02/50/798210250.db2.gz PVEAKKKKFZGZSF-UHFFFAOYSA-N 0 3 321.469 2.416 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001197751958 798234917 /nfs/dbraw/zinc/23/49/17/798234917.db2.gz GILQMRSKKBBNRW-RBSFLKMASA-N 0 3 320.433 2.280 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110500514 798272239 /nfs/dbraw/zinc/27/22/39/798272239.db2.gz CVTHGZAKVGTSJG-VXIBKDFQSA-N 0 3 314.429 2.235 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](OCC)C(C)C ZINC001157826597 798288499 /nfs/dbraw/zinc/28/84/99/798288499.db2.gz BYVBDNLDMLXMAO-GFCCVEGCSA-N 0 3 321.259 2.052 20 30 DEEDHN C#CCOCCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001157868791 798294130 /nfs/dbraw/zinc/29/41/30/798294130.db2.gz AALLSONXCNPJKB-CYBMUJFWSA-N 0 3 324.371 2.162 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1cc[nH]c1 ZINC001157982114 798320825 /nfs/dbraw/zinc/32/08/25/798320825.db2.gz MVHQYMGTZGXCFX-MRXNPFEDSA-N 0 3 305.422 2.144 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)nnc1C ZINC001158005461 798325473 /nfs/dbraw/zinc/32/54/73/798325473.db2.gz WPQLMGIRNTZHLQ-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1n[nH]c2c1CCC2 ZINC001158164763 798353610 /nfs/dbraw/zinc/35/36/10/798353610.db2.gz OEXJBBBDCRSKOM-CYBMUJFWSA-N 0 3 302.422 2.011 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)c1cn[nH]c1)c1ccccc1OC ZINC001198567168 798354870 /nfs/dbraw/zinc/35/48/70/798354870.db2.gz MYUHVORIINLTOZ-HNNXBMFYSA-N 0 3 314.389 2.055 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCCNCc1ncc(C)s1 ZINC001158313262 798382568 /nfs/dbraw/zinc/38/25/68/798382568.db2.gz AKWITVNTYOGEQV-KGLIPLIRSA-N 0 3 323.462 2.029 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001158468380 798411418 /nfs/dbraw/zinc/41/14/18/798411418.db2.gz UXSUWGULBBJXTL-HUUCEWRRSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccnc(OC)c1 ZINC001158474279 798412332 /nfs/dbraw/zinc/41/23/32/798412332.db2.gz WBWPNCKDULJBDO-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001199227219 798454083 /nfs/dbraw/zinc/45/40/83/798454083.db2.gz SCKXSOOSHIEWKF-BZUAXINKSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(C)nc1 ZINC001158872133 798483062 /nfs/dbraw/zinc/48/30/62/798483062.db2.gz DPBIWLQERMLXIU-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCn1cccn1 ZINC001158894583 798485352 /nfs/dbraw/zinc/48/53/52/798485352.db2.gz UTRLOXKBJKCQRI-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN CC[C@H]1CC[C@@H](C(=O)NCCCNCc2ccccc2C#N)O1 ZINC001159172343 798532997 /nfs/dbraw/zinc/53/29/97/798532997.db2.gz WGCKLQMBAYGJEJ-IRXDYDNUSA-N 0 3 315.417 2.112 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](CC)CCCC)CCCO1 ZINC001199914304 798561314 /nfs/dbraw/zinc/56/13/14/798561314.db2.gz PVEJTXVMZPGHFS-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2ocnc2C)CC1 ZINC001200155263 798588811 /nfs/dbraw/zinc/58/88/11/798588811.db2.gz DBLULYNVTALQDK-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001200823541 798683166 /nfs/dbraw/zinc/68/31/66/798683166.db2.gz OQWHHIZWTAWFEN-UHFFFAOYSA-N 0 3 304.438 2.165 20 30 DEEDHN C#CCC1(C(=O)N2CCC(NCc3nccs3)CC2)CCC1 ZINC001201002758 798705472 /nfs/dbraw/zinc/70/54/72/798705472.db2.gz XMEPWZXYSHSOBK-UHFFFAOYSA-N 0 3 317.458 2.417 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cccc3nccn32)CC1 ZINC001160666276 798718463 /nfs/dbraw/zinc/71/84/63/798718463.db2.gz XGTNVQAOMAPZJJ-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN CN[C@H](C(=O)N(CC#N)Cc1ccccc1)[C@@H](C)OC(C)(C)C ZINC001160667885 798718621 /nfs/dbraw/zinc/71/86/21/798718621.db2.gz MVEPWXBZRDNUHU-ZBFHGGJFSA-N 0 3 317.433 2.330 20 30 DEEDHN CCCCCCC[NH2+]C1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001201197247 798721086 /nfs/dbraw/zinc/72/10/86/798721086.db2.gz GYRCZHFUWCHBPQ-UHFFFAOYSA-N 0 3 320.437 2.347 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)CCCO1 ZINC001201494878 798760607 /nfs/dbraw/zinc/76/06/07/798760607.db2.gz YFVWRWCYOKYLOU-IKGGRYGDSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)nc2nc(C)[nH]c21 ZINC001160953215 798769417 /nfs/dbraw/zinc/76/94/17/798769417.db2.gz XDKVJHFERIAWKA-JTQLQIEISA-N 0 3 306.801 2.329 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1ncccc1C(=O)N1CCCC1 ZINC001160952041 798769433 /nfs/dbraw/zinc/76/94/33/798769433.db2.gz PHODLTKNMWRCPX-HNNXBMFYSA-N 0 3 314.433 2.380 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nnc(Cl)c2c1N(C)CCO2 ZINC001160953670 798770129 /nfs/dbraw/zinc/77/01/29/798770129.db2.gz GOIBAPWFGAHIQT-NSHDSACASA-N 0 3 323.828 2.021 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H](C)CCCCC)CCCO1 ZINC001201576140 798773526 /nfs/dbraw/zinc/77/35/26/798773526.db2.gz FVPWNTOCVZPZOB-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)CC(C)(C)C)CCCO1 ZINC001201575494 798773541 /nfs/dbraw/zinc/77/35/41/798773541.db2.gz BCRQSHNOIKOKNT-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C(C)(C)C2CCCCC2)CCCO1 ZINC001201593589 798775729 /nfs/dbraw/zinc/77/57/29/798775729.db2.gz WULTXTDXBAZMMF-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)nc(OC)c2)CC1 ZINC001161037216 798784020 /nfs/dbraw/zinc/78/40/20/798784020.db2.gz WBPPXHXWHLDGIM-UHFFFAOYSA-N 0 3 315.417 2.337 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CCCO1 ZINC001201720128 798789772 /nfs/dbraw/zinc/78/97/72/798789772.db2.gz OHVLPAUIPBXTPC-KZNAEPCWSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001161063295 798790452 /nfs/dbraw/zinc/79/04/52/798790452.db2.gz UCMSNBSGFMUYGH-LJQANCHMSA-N 0 3 308.425 2.488 20 30 DEEDHN CCCCCCCCN1CCN(CCN2CCOCC2)CC1 ZINC001201825698 798802636 /nfs/dbraw/zinc/80/26/36/798802636.db2.gz CYFXJCPDYKBVSV-UHFFFAOYSA-N 0 3 311.514 2.297 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001202139274 798832073 /nfs/dbraw/zinc/83/20/73/798832073.db2.gz VYUGIBPXOMSICL-GFCCVEGCSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)CCCO1 ZINC001202182698 798837382 /nfs/dbraw/zinc/83/73/82/798837382.db2.gz ILLQLSUSOHKPKI-HKUYNNGSSA-N 0 3 318.461 2.353 20 30 DEEDHN CC[C@H](C)[C@H](OC)C(=O)NCCCNCc1ccccc1C#N ZINC001161389725 798845378 /nfs/dbraw/zinc/84/53/78/798845378.db2.gz ZGCXDAKJMXXKTJ-YOEHRIQHSA-N 0 3 317.433 2.215 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC001161578823 798889552 /nfs/dbraw/zinc/88/95/52/798889552.db2.gz BWADSYYQEYQQDL-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C2(CCOC)CCC2)CC1 ZINC001161779159 798934705 /nfs/dbraw/zinc/93/47/05/798934705.db2.gz DNMOABQHBUXZCS-UHFFFAOYSA-N 0 3 318.461 2.355 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001110705806 798978428 /nfs/dbraw/zinc/97/84/28/798978428.db2.gz JGLLKCJWVNXFMN-SVGFKBNWSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(N(C)C)ccn2)CC1 ZINC001161986581 798986188 /nfs/dbraw/zinc/98/61/88/798986188.db2.gz GQXCOEKRBKLERN-UHFFFAOYSA-N 0 3 314.433 2.086 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCCOC(C)C)CC1 ZINC001161994283 798987582 /nfs/dbraw/zinc/98/75/82/798987582.db2.gz YECGHBZGSFISGF-UHFFFAOYSA-N 0 3 306.450 2.353 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC2CCCC2)(COC)CC1 ZINC001162077631 799006726 /nfs/dbraw/zinc/00/67/26/799006726.db2.gz WNFIVYBYQVKARI-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1COc2ccccc2C1 ZINC001162092248 799009040 /nfs/dbraw/zinc/00/90/40/799009040.db2.gz KAQAECFEBPTXOD-AWEZNQCLSA-N 0 3 308.809 2.086 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CSCC#N)C12CCC2 ZINC001202512346 799068392 /nfs/dbraw/zinc/06/83/92/799068392.db2.gz XGTVFNLBKHQUET-RYUDHWBXSA-N 0 3 313.854 2.013 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C=CCCC(=O)N[C@@H]1C[C@H](NCc2nccnc2C)C12CCC2 ZINC001202619064 799290134 /nfs/dbraw/zinc/29/01/34/799290134.db2.gz ZJWMSEFTBSZCHM-JKSUJKDBSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCCCNCc1oc(C)nc1C ZINC001163344904 799317577 /nfs/dbraw/zinc/31/75/77/799317577.db2.gz OZORIDHDBIWHQO-QGZVFWFLSA-N 0 3 323.437 2.116 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001163592634 799382824 /nfs/dbraw/zinc/38/28/24/799382824.db2.gz HQPZISNVSSIXLC-STQMWFEESA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001163592632 799383035 /nfs/dbraw/zinc/38/30/35/799383035.db2.gz HQPZISNVSSIXLC-OLZOCXBDSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC001006396420 799390824 /nfs/dbraw/zinc/39/08/24/799390824.db2.gz ORSSQJDKPQDHNY-UHFFFAOYSA-N 0 3 316.449 2.401 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC1(CNCc2cccc(Cl)n2)CC1 ZINC001163854442 799446187 /nfs/dbraw/zinc/44/61/87/799446187.db2.gz NOYBSIVPWCZHGB-GFCCVEGCSA-N 0 3 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C=CCOCC(=O)N(C)C[C@H]1CCN1[C@H]1CCc2ccccc21 ZINC001231240451 801614611 /nfs/dbraw/zinc/61/46/11/801614611.db2.gz KMFXUDDNHYBNDT-AEFFLSMTSA-N 0 3 314.429 2.409 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001214403127 801711644 /nfs/dbraw/zinc/71/16/44/801711644.db2.gz MCFOMRMUMDPRIJ-UKRRQHHQSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCOCCCCC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001214621931 801740681 /nfs/dbraw/zinc/74/06/81/801740681.db2.gz PGWXKJNOHWXVTM-HUUCEWRRSA-N 0 3 300.418 2.155 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001214707464 801750862 /nfs/dbraw/zinc/75/08/62/801750862.db2.gz MPVWSXHIAPAUAE-RHSMWYFYSA-N 0 3 316.449 2.125 20 30 DEEDHN N#Cc1ccnc(CN2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC001232475121 801895091 /nfs/dbraw/zinc/89/50/91/801895091.db2.gz GDNHQHUCNQUOJC-LJQANCHMSA-N 0 3 324.428 2.178 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)s1 ZINC001232843767 801970466 /nfs/dbraw/zinc/97/04/66/801970466.db2.gz XRAJHXGXRKSNED-XYYAHUGASA-N 0 3 315.442 2.356 20 30 DEEDHN CCOC(=O)N1CCC(N(C)Cc2cccc(C#N)n2)CC1 ZINC001232925308 801983974 /nfs/dbraw/zinc/98/39/74/801983974.db2.gz AYTVYAVUSSGYRL-UHFFFAOYSA-N 0 3 302.378 2.006 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN(CCC(C)(C)O)CC1 ZINC001233083567 802022407 /nfs/dbraw/zinc/02/24/07/802022407.db2.gz QBXOQAPYOCVSDJ-UHFFFAOYSA-N 0 3 301.434 2.145 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC001217196452 802053033 /nfs/dbraw/zinc/05/30/33/802053033.db2.gz QMGZKANHWSNZJX-OFQRWUPVSA-N 0 3 304.390 2.160 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001233267916 802058701 /nfs/dbraw/zinc/05/87/01/802058701.db2.gz MTXCLTDBHJVPJL-CYBMUJFWSA-N 0 3 307.419 2.184 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@H]2C1 ZINC001217596421 802089283 /nfs/dbraw/zinc/08/92/83/802089283.db2.gz YSKZWRJTDQPKDX-IGKNDFSCSA-N 0 3 318.461 2.300 20 30 DEEDHN N#Cc1ccc(-c2cccc(O[C@@H]3CN4C[C@H]3NCC4)c2)cc1 ZINC001218110902 802144313 /nfs/dbraw/zinc/14/43/13/802144313.db2.gz PNVIPDURUHCUCG-RTBURBONSA-N 0 3 305.381 2.260 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001233611776 802164836 /nfs/dbraw/zinc/16/48/36/802164836.db2.gz UHXKIJFHZPJKNF-JKSUJKDBSA-N 0 3 323.481 2.016 20 30 DEEDHN C=C[C@@H](C#CC(C)(C)C)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218413315 802178763 /nfs/dbraw/zinc/17/87/63/802178763.db2.gz ITIXSGWHYMIAFJ-HOCLYGCPSA-N 0 3 300.402 2.025 20 30 DEEDHN C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)[N-]c1onc(C)c1C#N ZINC001218502263 802193350 /nfs/dbraw/zinc/19/33/50/802193350.db2.gz ASRUJGPCINGZQN-ZDUSSCGKSA-N 0 3 318.764 2.277 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCCC3CC3)[C@H]2C1 ZINC001218510206 802195409 /nfs/dbraw/zinc/19/54/09/802195409.db2.gz OMCJYUGDWCCULH-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218517087 802196137 /nfs/dbraw/zinc/19/61/37/802196137.db2.gz IVDBNBPQVBWZCB-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN Cc1ncc(C#N)cc1NC(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001218659147 802224267 /nfs/dbraw/zinc/22/42/67/802224267.db2.gz MYEZOBGDIBHEJT-KRWDZBQOSA-N 0 3 312.348 2.299 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001233947025 802250281 /nfs/dbraw/zinc/25/02/81/802250281.db2.gz HNWFDQGQKONMDM-ZWKOTPCHSA-N 0 3 320.477 2.264 20 30 DEEDHN CN[C@H](C(=O)Nc1cccc(OC)c1C#N)[C@@H](C)OC(C)(C)C ZINC001218977751 802267442 /nfs/dbraw/zinc/26/74/42/802267442.db2.gz HACLODMTQHPJLL-ABAIWWIYSA-N 0 3 319.405 2.297 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)CN2)c(O)c1 ZINC001218988682 802270110 /nfs/dbraw/zinc/27/01/10/802270110.db2.gz KJRRWSUNZCVTGE-ONGXEEELSA-N 0 3 313.279 2.133 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCCC=C ZINC001234267022 802339266 /nfs/dbraw/zinc/33/92/66/802339266.db2.gz UWNZRIVIXQNPFO-SJORKVTESA-N 0 3 306.450 2.304 20 30 DEEDHN CN[C@@H](COCc1ccccc1)C(=O)N[C@H](C#N)c1ccccc1 ZINC001219558544 802345619 /nfs/dbraw/zinc/34/56/19/802345619.db2.gz QMUGQOBAVGMWLL-MSOLQXFVSA-N 0 3 323.396 2.172 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001219598466 802353547 /nfs/dbraw/zinc/35/35/47/802353547.db2.gz YSTSCLVDLINWHV-SJORKVTESA-N 0 3 318.461 2.088 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCCC(C)C)C[C@@H]1O ZINC001219703278 802369684 /nfs/dbraw/zinc/36/96/84/802369684.db2.gz ZLUBSGAPIRQMFR-KGLIPLIRSA-N 0 3 316.873 2.363 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC2(F)F)[C@@H](O)C1 ZINC001219858346 802383994 /nfs/dbraw/zinc/38/39/94/802383994.db2.gz NVZTUXICNVBDQI-MJBXVCDLSA-N 0 3 318.408 2.163 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@@H](O)C1 ZINC001219913531 802389316 /nfs/dbraw/zinc/38/93/16/802389316.db2.gz RKOAHQIKDLYTSU-IJEWVQPXSA-N 0 3 300.418 2.032 20 30 DEEDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1[n-]c(=O)nc3cccc(C#N)c31)C2 ZINC001234511436 802398204 /nfs/dbraw/zinc/39/82/04/802398204.db2.gz PYZDEIDNWOCPIA-CLLJXQQHSA-N 0 3 310.357 2.211 20 30 DEEDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1[n-]c(=O)nc3cccc(C#N)c31)C2 ZINC001234511436 802398208 /nfs/dbraw/zinc/39/82/08/802398208.db2.gz PYZDEIDNWOCPIA-CLLJXQQHSA-N 0 3 310.357 2.211 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CC2(C)CCCCC2)[C@@H](O)C1 ZINC001219987283 802399255 /nfs/dbraw/zinc/39/92/55/802399255.db2.gz MCQHIHIAULIZAY-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H](O)C1 ZINC001220042581 802405655 /nfs/dbraw/zinc/40/56/55/802405655.db2.gz FADDKASWQLSQFC-XLMAVXFVSA-N 0 3 308.466 2.308 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220133901 802413332 /nfs/dbraw/zinc/41/33/32/802413332.db2.gz RGXXUFHYICBKFP-CVEARBPZSA-N 0 3 320.477 2.330 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](O)C1 ZINC001220180518 802421438 /nfs/dbraw/zinc/42/14/38/802421438.db2.gz HSKOAQAOXGVIHV-ILXRZTDVSA-N 0 3 302.434 2.112 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220292225 802439398 /nfs/dbraw/zinc/43/93/98/802439398.db2.gz QXBMOWXIKGWDLG-MXGOXTTQSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220377979 802449751 /nfs/dbraw/zinc/44/97/51/802449751.db2.gz VWKOOJGGSIHLPK-MJBXVCDLSA-N 0 3 318.408 2.185 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448384 802462365 /nfs/dbraw/zinc/46/23/65/802462365.db2.gz HQJYJGCNKYUKSO-IMJJTQAJSA-N 0 3 322.474 2.054 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001220480343 802466972 /nfs/dbraw/zinc/46/69/72/802466972.db2.gz URTZNPOLBAVDIK-NXHRZFHOSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220775524 802497078 /nfs/dbraw/zinc/49/70/78/802497078.db2.gz AISXPZICDYUEHS-XQQFMLRXSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)/C=C(\C)C3CC3)[C@@H]2C1 ZINC001221325920 802556386 /nfs/dbraw/zinc/55/63/86/802556386.db2.gz DPZCTHZVZYPBRR-OMCKNOPTSA-N 0 3 304.434 2.078 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)COCC3CCCC3)C[C@@H]21 ZINC001222906250 802748504 /nfs/dbraw/zinc/74/85/04/802748504.db2.gz TULQFYONDAWDSB-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3cc(C)co3)C[C@@H]21 ZINC001223314224 802780155 /nfs/dbraw/zinc/78/01/55/802780155.db2.gz ASOSTHIGCRHJKH-CVEARBPZSA-N 0 3 318.417 2.327 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CCN(C(=O)CN(CC)CC)C[C@@H]21 ZINC001223707686 802809465 /nfs/dbraw/zinc/80/94/65/802809465.db2.gz YHTMEDDNBDTGGE-CABCVRRESA-N 0 3 313.873 2.004 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001223904271 802821946 /nfs/dbraw/zinc/82/19/46/802821946.db2.gz SFKSUQLPWKUMBO-GFCCVEGCSA-N 0 3 304.356 2.426 20 30 DEEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)c1ccon1 ZINC001225079995 802934844 /nfs/dbraw/zinc/93/48/44/802934844.db2.gz VGBOBZLOVYLUNV-IAGOWNOFSA-N 0 3 323.396 2.357 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001225103651 802935438 /nfs/dbraw/zinc/93/54/38/802935438.db2.gz VYZYOHJDAYYUQX-IRXDYDNUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001225755443 803010622 /nfs/dbraw/zinc/01/06/22/803010622.db2.gz OWXORUZGOZLYGL-GOSISDBHSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)nc1 ZINC001225921219 803030824 /nfs/dbraw/zinc/03/08/24/803030824.db2.gz NLBKJRDLMMDVKN-IAGOWNOFSA-N 0 3 314.433 2.106 20 30 DEEDHN [O-]/N=C/c1ccnc(OC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001226254287 803078809 /nfs/dbraw/zinc/07/88/09/803078809.db2.gz UNFXQUIYIFSONP-XDHOZWIPSA-N 0 3 312.373 2.328 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccn(C)n1 ZINC001226514226 803118581 /nfs/dbraw/zinc/11/85/81/803118581.db2.gz KUZYDIPKZZUPQX-HUUCEWRRSA-N 0 3 324.856 2.122 20 30 DEEDHN Cc1ccc(F)cc1CN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226617630 803132417 /nfs/dbraw/zinc/13/24/17/803132417.db2.gz LZGCUSAKZDNHJG-CYBMUJFWSA-N 0 3 303.381 2.374 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001226618001 803132434 /nfs/dbraw/zinc/13/24/34/803132434.db2.gz UTINMCDIFCPQKG-ZDUSSCGKSA-N 0 3 303.381 2.396 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001226741173 803151499 /nfs/dbraw/zinc/15/14/99/803151499.db2.gz UKWSQHQALKLRKC-FVQHAEBGSA-N 0 3 306.450 2.206 20 30 DEEDHN CCCCOCCN1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC001227244447 803220713 /nfs/dbraw/zinc/22/07/13/803220713.db2.gz MFMQCRXXLXLGAD-UHFFFAOYSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001227258328 803222973 /nfs/dbraw/zinc/22/29/73/803222973.db2.gz OFVONSSLDOGIFL-CABCVRRESA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001227527559 803247746 /nfs/dbraw/zinc/24/77/46/803247746.db2.gz NBWFLHRYGGHMEU-UHFFFAOYSA-N 0 3 324.856 2.242 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001228123704 803322057 /nfs/dbraw/zinc/32/20/57/803322057.db2.gz QPQGMMFPGODZBJ-NWANDNLSSA-N 0 3 319.453 2.232 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001228403115 803355910 /nfs/dbraw/zinc/35/59/10/803355910.db2.gz WBRVFBGWRLVOJF-JLVBRIDZSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001228414205 803357265 /nfs/dbraw/zinc/35/72/65/803357265.db2.gz ZEESUIWIIZCYKO-CKEIUWERSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228801578 803415943 /nfs/dbraw/zinc/41/59/43/803415943.db2.gz SVNVWRARHAYULR-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001228801470 803416110 /nfs/dbraw/zinc/41/61/10/803416110.db2.gz PIVXTRGWPXNWJX-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001228894942 803425914 /nfs/dbraw/zinc/42/59/14/803425914.db2.gz GAJVRYVRLKUIHP-SFHVURJKSA-N 0 3 314.429 2.110 20 30 DEEDHN C=CCn1cnn(CN2CCN(C)C[C@H]2CC(C)C)c1=S ZINC001334708803 1150335229 /nfs/dbraw/zinc/33/52/29/1150335229.db2.gz WBLRWXJYRCZGPU-CQSZACIVSA-N 0 3 309.483 2.220 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COCc2cccnc2)C(C)(C)C1 ZINC001328097503 1148719383 /nfs/dbraw/zinc/71/93/83/1148719383.db2.gz GANYQOVWOJTVQA-INIZCTEOSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001335522407 1150441978 /nfs/dbraw/zinc/44/19/78/1150441978.db2.gz LGIPVJSYFXQRNC-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCC(=O)N(CC)C1CC1 ZINC001331516725 1149499910 /nfs/dbraw/zinc/49/99/10/1149499910.db2.gz CBBFLDSPCZEZJD-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c2c(nn1C)CCCC2 ZINC001420113558 1169172992 /nfs/dbraw/zinc/17/29/92/1169172992.db2.gz ZUAAQODTHUYHCI-LBPRGKRZSA-N 0 3 324.856 2.149 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001331650524 1149579704 /nfs/dbraw/zinc/57/97/04/1149579704.db2.gz UXBQTNASVRHLHW-XGNXJENSSA-N 0 3 302.340 2.179 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H]2OC)c1 ZINC001343488970 1150746086 /nfs/dbraw/zinc/74/60/86/1150746086.db2.gz IHCMDMHAPCMETJ-RRFJBIMHSA-N 0 3 316.357 2.158 20 30 DEEDHN COc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c(OC)c1 ZINC001343745858 1150769118 /nfs/dbraw/zinc/76/91/18/1150769118.db2.gz WPFXUTLKRWDSFA-DOMZBBRYSA-N 0 3 319.405 2.292 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)c1cccc(OC)c1 ZINC001479816564 1150827328 /nfs/dbraw/zinc/82/73/28/1150827328.db2.gz VEOZZIVJPYJKQC-OAHLLOKOSA-N 0 3 302.418 2.260 20 30 DEEDHN C=CCCC[C@H](NC(=O)C[C@H]1NCc2ccccc21)C(=O)OC ZINC001522743745 1069451400 /nfs/dbraw/zinc/45/14/00/1069451400.db2.gz HWNPVFNOMOVUIH-JKSUJKDBSA-N 0 3 316.401 2.235 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cn2ccnc2C(C)C)C1 ZINC001368500401 1148469039 /nfs/dbraw/zinc/46/90/39/1148469039.db2.gz CQTCWDYXBXHJEX-OKILXGFUSA-N 0 3 324.856 2.243 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)CN(C)CCC)C1 ZINC001527368619 1070465511 /nfs/dbraw/zinc/46/55/11/1070465511.db2.gz CGQFMGNYFIYRRA-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C[C@H](C(=O)NCCCCN1CCN(C)CC1)c1ccccc1 ZINC001527444149 1070480787 /nfs/dbraw/zinc/48/07/87/1070480787.db2.gz ZWHRDNXGAGIMIM-SFHVURJKSA-N 0 3 315.461 2.100 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001527600450 1070514047 /nfs/dbraw/zinc/51/40/47/1070514047.db2.gz YXBMPIRXKBCZQN-PBHICJAKSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001605283103 1070670869 /nfs/dbraw/zinc/67/08/69/1070670869.db2.gz DTQWGTTUQNIMSE-AAEUAGOBSA-N 0 3 312.377 2.047 20 30 DEEDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001605283103 1070670872 /nfs/dbraw/zinc/67/08/72/1070670872.db2.gz DTQWGTTUQNIMSE-AAEUAGOBSA-N 0 3 312.377 2.047 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)SC)C1 ZINC001365811992 1146017291 /nfs/dbraw/zinc/01/72/91/1146017291.db2.gz WLOFCXAAFOMWAF-GARJFASQSA-N 0 3 321.284 2.131 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1nc(C)oc1C ZINC001328781417 1148834190 /nfs/dbraw/zinc/83/41/90/1148834190.db2.gz SNNIUMDZCWQOKK-OAHLLOKOSA-N 0 3 321.421 2.030 20 30 DEEDHN Cc1ncccc1CN1CCCCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001369063625 1148840212 /nfs/dbraw/zinc/84/02/12/1148840212.db2.gz SKNZCTSEMCGZCG-YOEHRIQHSA-N 0 3 314.433 2.411 20 30 DEEDHN CCc1nc(C)c(CNCC2CC(NC(=O)C#CC(C)C)C2)o1 ZINC001328850173 1148841511 /nfs/dbraw/zinc/84/15/11/1148841511.db2.gz ADAUPFWDQGXMAQ-UHFFFAOYSA-N 0 3 317.433 2.189 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(CCOC2CCCCCC2)C1 ZINC001369074246 1148843263 /nfs/dbraw/zinc/84/32/63/1148843263.db2.gz IINTVYTVNAHRKY-GJZGRUSLSA-N 0 3 321.465 2.322 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001499897965 1058356532 /nfs/dbraw/zinc/35/65/32/1058356532.db2.gz WAAVGZIKRCYXLR-QGZVFWFLSA-N 0 3 316.449 2.269 20 30 DEEDHN C=C(C)[C@H](CC(=O)NC1(C)CCN(CC#CC)CC1)OCC ZINC001499986923 1058418365 /nfs/dbraw/zinc/41/83/65/1058418365.db2.gz VJUYBJWOTOKNOA-INIZCTEOSA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C/C=C(/C)C=C)C2)CC1 ZINC001500018581 1058434257 /nfs/dbraw/zinc/43/42/57/1058434257.db2.gz LDLOZYQSFUKCLI-CVWPPMRVSA-N 0 3 316.445 2.129 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N[C@H](CNCC#N)C1CCCC1 ZINC001500114539 1058501587 /nfs/dbraw/zinc/50/15/87/1058501587.db2.gz IWZHQPBAEYWOBA-SJORKVTESA-N 0 3 320.481 2.037 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)CCC(C)(F)F)C1 ZINC001500232388 1058621435 /nfs/dbraw/zinc/62/14/35/1058621435.db2.gz BGQAULTWKKCDJW-CQSZACIVSA-N 0 3 304.381 2.205 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001500295421 1058672812 /nfs/dbraw/zinc/67/28/12/1058672812.db2.gz KNQUOYRIIVBFGQ-IBGZPJMESA-N 0 3 315.461 2.275 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)c2coc(C)c2)CC1 ZINC001500422256 1058769595 /nfs/dbraw/zinc/76/95/95/1058769595.db2.gz RJEVICZKBXYVLL-UHFFFAOYSA-N 0 3 318.417 2.070 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001500436358 1058781909 /nfs/dbraw/zinc/78/19/09/1058781909.db2.gz HQMZAAVJRRHHDZ-IAGOWNOFSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001500457218 1058802670 /nfs/dbraw/zinc/80/26/70/1058802670.db2.gz FGBLPRUQKYWUFR-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001500482045 1058832436 /nfs/dbraw/zinc/83/24/36/1058832436.db2.gz NQLIIZAAZKIYRJ-WMZOPIPTSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001500546874 1058913195 /nfs/dbraw/zinc/91/31/95/1058913195.db2.gz JJUAZGHSRYATLA-VQIMIIECSA-N 0 3 313.445 2.427 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001500613895 1058966158 /nfs/dbraw/zinc/96/61/58/1058966158.db2.gz OJUADRMFUUUWEF-HIFRSBDPSA-N 0 3 318.408 2.045 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001500724917 1059041447 /nfs/dbraw/zinc/04/14/47/1059041447.db2.gz JUNMCAPSJGHPRV-IBGZPJMESA-N 0 3 314.429 2.091 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001500740003 1059052500 /nfs/dbraw/zinc/05/25/00/1059052500.db2.gz GHMBBFJSRQYBNP-QGZVFWFLSA-N 0 3 322.836 2.391 20 30 DEEDHN C=CCCC(=O)NC[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001500768238 1059078449 /nfs/dbraw/zinc/07/84/49/1059078449.db2.gz ONZQPFWDNPQBII-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001464616488 1059168558 /nfs/dbraw/zinc/16/85/58/1059168558.db2.gz GHYRILUVBDJUCN-UHFFFAOYSA-N 0 3 312.454 2.321 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]nc(C(F)(F)F)c1C ZINC001467728560 1059694099 /nfs/dbraw/zinc/69/40/99/1059694099.db2.gz LCQLJDZGRMNQHU-UHFFFAOYSA-N 0 3 318.343 2.317 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N(CC)CC ZINC001501874353 1059751559 /nfs/dbraw/zinc/75/15/59/1059751559.db2.gz BGSYQEQXSCYETG-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501945014 1059794505 /nfs/dbraw/zinc/79/45/05/1059794505.db2.gz MTFSWYPLYYXEPO-UHFFFAOYSA-N 0 3 303.381 2.153 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC[C@H](F)CC)C1 ZINC001502079777 1059914266 /nfs/dbraw/zinc/91/42/66/1059914266.db2.gz XJGXIFSJIQVKMN-KGLIPLIRSA-N 0 3 300.418 2.154 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1CCCN(CC#CC)CC1)OCC ZINC001502124033 1059964984 /nfs/dbraw/zinc/96/49/84/1059964984.db2.gz JKEBSSPYPOTPIU-DLBZAZTESA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC001469596025 1059972705 /nfs/dbraw/zinc/97/27/05/1059972705.db2.gz SWLZVXOKTPUDPJ-ARFHVFGLSA-N 0 3 323.481 2.080 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](OC)C2CCCC2)CC1 ZINC001502145757 1059989714 /nfs/dbraw/zinc/98/97/14/1059989714.db2.gz XRFLXFAPSRRCLV-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CC#Cc2ccccc2)CC1 ZINC001502147954 1059995429 /nfs/dbraw/zinc/99/54/29/1059995429.db2.gz TXVAMMCRSXPZMX-LJQANCHMSA-N 0 3 308.425 2.422 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCOc1cccc(F)c1 ZINC001502339542 1060051643 /nfs/dbraw/zinc/05/16/43/1060051643.db2.gz KGSAMZSMZXKPNP-UHFFFAOYSA-N 0 3 306.381 2.008 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C)c(OC)c1 ZINC001502352091 1060062546 /nfs/dbraw/zinc/06/25/46/1060062546.db2.gz UGDSJEJFJWEZFR-UHFFFAOYSA-N 0 3 302.418 2.421 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccccc2)CCOCC1 ZINC001502609517 1060197219 /nfs/dbraw/zinc/19/72/19/1060197219.db2.gz WJTJRZWNNCWRKM-UHFFFAOYSA-N 0 3 308.809 2.308 20 30 DEEDHN C#CCCCC(=O)N1CCC(C)(NCc2ocnc2C)CC1 ZINC001502777440 1060290939 /nfs/dbraw/zinc/29/09/39/1060290939.db2.gz VUWQISPJQUKBKA-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(CCOCC(C)C)[C@@H](C)C1 ZINC001502923412 1060400808 /nfs/dbraw/zinc/40/08/08/1060400808.db2.gz QLFXQMNGUDOEPP-IRXDYDNUSA-N 0 3 308.466 2.288 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)C1 ZINC001472128672 1060426791 /nfs/dbraw/zinc/42/67/91/1060426791.db2.gz DURQRNRQRHHKIN-YESZJQIVSA-N 0 3 300.446 2.370 20 30 DEEDHN Cc1nc(CCN(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)cs1 ZINC001505423987 1060569699 /nfs/dbraw/zinc/56/96/99/1060569699.db2.gz GNVYPXKVZPJPFF-IUODEOHRSA-N 0 3 320.462 2.077 20 30 DEEDHN Cc1nc(CCN(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001505423989 1060571744 /nfs/dbraw/zinc/57/17/44/1060571744.db2.gz GNVYPXKVZPJPFF-WFASDCNBSA-N 0 3 320.462 2.077 20 30 DEEDHN C=CCN(C)CCN(CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472817468 1060587434 /nfs/dbraw/zinc/58/74/34/1060587434.db2.gz DPAHBTXOYZHXIK-UHFFFAOYSA-N 0 3 308.338 2.447 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C2CC2)n(C)n1 ZINC001505433102 1060588135 /nfs/dbraw/zinc/58/81/35/1060588135.db2.gz ZKQNYCHBKMDEFJ-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cn1nc(C)c(Cl)c1C ZINC001505462881 1060635023 /nfs/dbraw/zinc/63/50/23/1060635023.db2.gz UPQQDBDHNIRZSU-CQSZACIVSA-N 0 3 324.856 2.262 20 30 DEEDHN C[C@@H](NC(=O)CC(F)(F)F)[C@H](C)NCC#Cc1ccccc1 ZINC001505568910 1060720840 /nfs/dbraw/zinc/72/08/40/1060720840.db2.gz BEHJOPHHWOUYHD-QWHCGFSZSA-N 0 3 312.335 2.473 20 30 DEEDHN CCn1cc(CCN2CCc3c(C#N)c(N)sc3C2)cn1 ZINC001473858046 1060742568 /nfs/dbraw/zinc/74/25/68/1060742568.db2.gz JGZMMNNVVBJPIP-UHFFFAOYSA-N 0 3 301.419 2.019 20 30 DEEDHN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)NCC#Cc1ccccc1 ZINC001505588815 1060748289 /nfs/dbraw/zinc/74/82/89/1060748289.db2.gz QJJYTHCHPOMTSF-LSDHHAIUSA-N 0 3 320.396 2.034 20 30 DEEDHN COc1cc(CN[C@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)ccn1 ZINC001505603513 1060767957 /nfs/dbraw/zinc/76/79/57/1060767957.db2.gz WZMRGUBCCOPGPA-ZIAGYGMSSA-N 0 3 317.433 2.123 20 30 DEEDHN C[C@H](CNC(=O)CSCC#N)N(C)CCc1ccccc1F ZINC001505871807 1061064270 /nfs/dbraw/zinc/06/42/70/1061064270.db2.gz WZKHUTFEVPVFNM-CYBMUJFWSA-N 0 3 323.437 2.061 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001479224804 1061299068 /nfs/dbraw/zinc/29/90/68/1061299068.db2.gz KMHVFWIOVWSJHZ-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001479252305 1061331235 /nfs/dbraw/zinc/33/12/35/1061331235.db2.gz CNAPRPXEDDWRFY-DOTOQJQBSA-N 0 3 318.465 2.098 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@H]1CCN1CC[C@H](C)F ZINC001479263901 1061342920 /nfs/dbraw/zinc/34/29/20/1061342920.db2.gz ODGIPIRILJFLTM-MAUKXSAKSA-N 0 3 316.420 2.491 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2cc(OC)no2)C1 ZINC001479439547 1061458120 /nfs/dbraw/zinc/45/81/20/1061458120.db2.gz UUBHVCVOBCEGSB-QWHCGFSZSA-N 0 3 307.394 2.024 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)Cn1ccnc1 ZINC001479525403 1061493112 /nfs/dbraw/zinc/49/31/12/1061493112.db2.gz MAOLQWFAVIWMGH-ZFWWWQNUSA-N 0 3 324.856 2.242 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccc(CF)cc2)C1 ZINC001479659505 1061573558 /nfs/dbraw/zinc/57/35/58/1061573558.db2.gz UDXZMTQFWUNBFP-QGZVFWFLSA-N 0 3 320.408 2.241 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001479684564 1061595357 /nfs/dbraw/zinc/59/53/57/1061595357.db2.gz IFYDFDUTFPWFAF-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnn(CCC)c1 ZINC001479738057 1061663360 /nfs/dbraw/zinc/66/33/60/1061663360.db2.gz UQEFURONEXBOOL-INIZCTEOSA-N 0 3 304.438 2.406 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@]34CCO[C@H]3CCCC4)C2)C1 ZINC001479758531 1061697012 /nfs/dbraw/zinc/69/70/12/1061697012.db2.gz MHGSLZFKGKAURJ-YJBOKZPZSA-N 0 3 304.434 2.056 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](CCC(C)C)NC(C)=O)CC1 ZINC001479895972 1062005377 /nfs/dbraw/zinc/00/53/77/1062005377.db2.gz FVTHRJXMXVMMDJ-QGZVFWFLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccon2)CCCCC1 ZINC001506502479 1062054207 /nfs/dbraw/zinc/05/42/07/1062054207.db2.gz ZROWWDLONWAWON-UHFFFAOYSA-N 0 3 311.813 2.378 20 30 DEEDHN C=CCn1cc(C(=O)N[C@H]2CCN(CC/C=C\CCC)C2)nn1 ZINC001479965780 1062120501 /nfs/dbraw/zinc/12/05/01/1062120501.db2.gz NYLUWUCSLGNPEO-XHPSBEMXSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCn1cc(C(=O)N[C@@H]2CCN(CC/C=C\CCC)C2)nn1 ZINC001479965777 1062121209 /nfs/dbraw/zinc/12/12/09/1062121209.db2.gz NYLUWUCSLGNPEO-IDTUSYRASA-N 0 3 317.437 2.015 20 30 DEEDHN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)CCc2cnc[nH]2)CC1 ZINC001479982276 1062142408 /nfs/dbraw/zinc/14/24/08/1062142408.db2.gz VOHMHYYFPRTMDA-AWEZNQCLSA-N 0 3 322.840 2.066 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CCC)C1CCN(CC(=C)C)CC1 ZINC001479993759 1062158922 /nfs/dbraw/zinc/15/89/22/1062158922.db2.gz RZURYDBSGLIGQE-MRXNPFEDSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001506592368 1062168632 /nfs/dbraw/zinc/16/86/32/1062168632.db2.gz SMASCDCWBPBLGO-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001506619077 1062197535 /nfs/dbraw/zinc/19/75/35/1062197535.db2.gz OCPRGTNGNSHIPO-HOCLYGCPSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)CCOCC)C2)C1 ZINC001506718314 1062306779 /nfs/dbraw/zinc/30/67/79/1062306779.db2.gz MVFYORQMAFXXTI-FUHWJXTLSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001480104851 1062333231 /nfs/dbraw/zinc/33/32/31/1062333231.db2.gz JJQSZLFOCCUUGI-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001480117886 1062348661 /nfs/dbraw/zinc/34/86/61/1062348661.db2.gz KNPPFYLDKQCUJZ-ZDUSSCGKSA-N 0 3 306.793 2.176 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)CN(C)CCCCCC)C(C)(C)C1 ZINC001506750516 1062359140 /nfs/dbraw/zinc/35/91/40/1062359140.db2.gz GMIWOWFAWRQARZ-QGZVFWFLSA-N 0 3 321.509 2.348 20 30 DEEDHN CCc1ocnc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480131468 1062365583 /nfs/dbraw/zinc/36/55/83/1062365583.db2.gz NCUMOCVHWYSBSB-WKILWMFISA-N 0 3 323.396 2.139 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001506803481 1062400914 /nfs/dbraw/zinc/40/09/14/1062400914.db2.gz SZCUZHMBFRPCNO-OKYOBFRVSA-N 0 3 308.425 2.107 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001480206007 1062463297 /nfs/dbraw/zinc/46/32/97/1062463297.db2.gz QNDYFSAXYIEXGB-TXEJJXNPSA-N 0 3 323.462 2.491 20 30 DEEDHN Cc1cnc([C@H](C)NCCC[C@H](C)NC(=O)C#CC2CC2)cn1 ZINC001506923112 1062533287 /nfs/dbraw/zinc/53/32/87/1062533287.db2.gz PPUYWNBEEQMLHW-ZFWWWQNUSA-N 0 3 314.433 2.134 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001480326488 1062655823 /nfs/dbraw/zinc/65/58/23/1062655823.db2.gz SXUIANPTUPYUCV-KBPBESRZSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)[C@H](C)C(C)(F)F ZINC001480326490 1062656776 /nfs/dbraw/zinc/65/67/76/1062656776.db2.gz SXUIANPTUPYUCV-UONOGXRCSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C(C)(C)CCC ZINC001480359901 1062711098 /nfs/dbraw/zinc/71/10/98/1062711098.db2.gz ROYVZAYEFFOBGV-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001480369540 1062727463 /nfs/dbraw/zinc/72/74/63/1062727463.db2.gz MGIPODUVMXJSKD-QZTJIDSGSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001480385889 1062770991 /nfs/dbraw/zinc/77/09/91/1062770991.db2.gz FSPJMRHLBOXTFB-GJZGRUSLSA-N 0 3 315.889 2.296 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001507074433 1062782830 /nfs/dbraw/zinc/78/28/30/1062782830.db2.gz TVOPFOCRBWTLPC-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C1(C)CCCCCC1 ZINC001507091491 1062818134 /nfs/dbraw/zinc/81/81/34/1062818134.db2.gz LFAMMJYDFILHRP-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001480428174 1062853233 /nfs/dbraw/zinc/85/32/33/1062853233.db2.gz UAEYTENGFDKMJF-QWRGUYRKSA-N 0 3 309.410 2.043 20 30 DEEDHN C[C@@H](CNC(=O)C#CC1CC1)NCc1ccccc1OC1CC1 ZINC001480456789 1062892506 /nfs/dbraw/zinc/89/25/06/1062892506.db2.gz CASBLGLLGFQSMA-AWEZNQCLSA-N 0 3 312.413 2.236 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccccc1)NCc1ccc(C#N)s1 ZINC001480490069 1062934346 /nfs/dbraw/zinc/93/43/46/1062934346.db2.gz ZFCUHTBVRSLBNW-CYBMUJFWSA-N 0 3 313.426 2.457 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccc[nH]1 ZINC001507269553 1063012210 /nfs/dbraw/zinc/01/22/10/1063012210.db2.gz KQTKWLURTRRQCC-NVXWUHKLSA-N 0 3 307.397 2.259 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2ccns2)[C@H]1C ZINC001507276112 1063022310 /nfs/dbraw/zinc/02/23/10/1063022310.db2.gz YVTZKXFBPOYNGX-HIFRSBDPSA-N 0 3 323.462 2.205 20 30 DEEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)c1cc[nH]c1 ZINC001507311383 1063075386 /nfs/dbraw/zinc/07/53/86/1063075386.db2.gz XWLJNAFLIHLZSS-CRAIPNDOSA-N 0 3 307.397 2.259 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001480621877 1063114048 /nfs/dbraw/zinc/11/40/48/1063114048.db2.gz BGNBMYUSRNNVDU-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](CCC)OCC)CCC[C@@H]12 ZINC001507346688 1063132894 /nfs/dbraw/zinc/13/28/94/1063132894.db2.gz DVFLOTBWCGTJGJ-JFIYKMOQSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001480721303 1063237886 /nfs/dbraw/zinc/23/78/86/1063237886.db2.gz IVWUFSUENUWYRR-OAHLLOKOSA-N 0 3 308.447 2.374 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001480737729 1063270558 /nfs/dbraw/zinc/27/05/58/1063270558.db2.gz CAWMNTPATLPKMG-OAHLLOKOSA-N 0 3 324.428 2.431 20 30 DEEDHN C=C(C)CCC(=O)NC[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001537047821 1072276367 /nfs/dbraw/zinc/27/63/67/1072276367.db2.gz DFWGUCHJJRHFSU-SFHVURJKSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(Cl)ccc1F ZINC001507663030 1063374024 /nfs/dbraw/zinc/37/40/24/1063374024.db2.gz HDENWXBYCHGTHB-GFCCVEGCSA-N 0 3 314.788 2.030 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCC[C@H]1CCCN1Cc1ccc(F)cn1 ZINC001480817165 1063387355 /nfs/dbraw/zinc/38/73/55/1063387355.db2.gz BSEAJVNSGHICOA-BBRMVZONSA-N 0 3 318.396 2.241 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CCc1cnn(C)c1)C(C)C ZINC001507862636 1063445269 /nfs/dbraw/zinc/44/52/69/1063445269.db2.gz WVLAGXGRAPNCNB-UHFFFAOYSA-N 0 3 306.454 2.098 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCOCCNC/C=C/Cl)C1 ZINC001508179088 1063591574 /nfs/dbraw/zinc/59/15/74/1063591574.db2.gz MPYFRBRXPHFTEG-SNAWJCMRSA-N 0 3 300.830 2.160 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)CN1CCc2ccccc21 ZINC001493159094 1063609201 /nfs/dbraw/zinc/60/92/01/1063609201.db2.gz AOARHATZPVBQPZ-KRWDZBQOSA-N 0 3 313.445 2.206 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2coc(OC)n2)c(F)c1 ZINC001508241245 1063626045 /nfs/dbraw/zinc/62/60/45/1063626045.db2.gz POYUBTAUTXFYDN-UHFFFAOYSA-N 0 3 319.336 2.028 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cn2ccc3ccccc32)C1 ZINC001493263597 1063677465 /nfs/dbraw/zinc/67/74/65/1063677465.db2.gz LKXXRGJUEZPXKV-MRXNPFEDSA-N 0 3 309.413 2.103 20 30 DEEDHN CC[C@@H](SC)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493522734 1063847890 /nfs/dbraw/zinc/84/78/90/1063847890.db2.gz ZNFQAKXKIKWBDP-CYBMUJFWSA-N 0 3 311.476 2.309 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)C1CCOCC1)c1ccccc1 ZINC001493879046 1064007099 /nfs/dbraw/zinc/00/70/99/1064007099.db2.gz TUGDHBSQPYGNSR-KRWDZBQOSA-N 0 3 302.418 2.436 20 30 DEEDHN CCCN(C(=O)C#CC(C)C)[C@@H]1CCN(CCC[C@@H](C)O)C1 ZINC001493950258 1064037950 /nfs/dbraw/zinc/03/79/50/1064037950.db2.gz XDIIUQQPZREAIX-IAGOWNOFSA-N 0 3 308.466 2.120 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CCN(CC(=C)C)C1 ZINC001493966646 1064047631 /nfs/dbraw/zinc/04/76/31/1064047631.db2.gz FWLAKPRVJOYTNQ-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cn(C)nc1C1CCCC1 ZINC001567429845 1064195810 /nfs/dbraw/zinc/19/58/10/1064195810.db2.gz DYCVDOHUZASWFF-UHFFFAOYSA-N 0 3 316.449 2.153 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(C(F)(F)F)no1)C1CC1 ZINC001567445118 1064203293 /nfs/dbraw/zinc/20/32/93/1064203293.db2.gz TVEPSPAEVRLCGY-UHFFFAOYSA-N 0 3 303.284 2.074 20 30 DEEDHN C=CCN(CCNC(=O)Cc1cc(F)ccc1OC)C1CC1 ZINC001567452370 1064204748 /nfs/dbraw/zinc/20/47/48/1064204748.db2.gz RJWDUHQPCBGUJQ-UHFFFAOYSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCCC(=O)NC1CCC(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001494530087 1064295729 /nfs/dbraw/zinc/29/57/29/1064295729.db2.gz NRRVTXVRJNLQSE-UHFFFAOYSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001494542906 1064306116 /nfs/dbraw/zinc/30/61/16/1064306116.db2.gz QQIGCPSXEFDOPS-LJQANCHMSA-N 0 3 316.445 2.179 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1c(C)nn(C)c1C)c1ccccc1 ZINC001567660928 1064325269 /nfs/dbraw/zinc/32/52/69/1064325269.db2.gz MQTJRGIEXKVASS-KRWDZBQOSA-N 0 3 324.428 2.121 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001567692770 1064349491 /nfs/dbraw/zinc/34/94/91/1064349491.db2.gz GHUNLMLOVBRVJO-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1 ZINC001494666371 1064398308 /nfs/dbraw/zinc/39/83/08/1064398308.db2.gz NGXWGBHETPNULR-BZSNNMDCSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C[C@@H](Cc2ccccc2)OC)C1 ZINC001494696303 1064418805 /nfs/dbraw/zinc/41/88/05/1064418805.db2.gz DPSABRYIYPWYGS-ZWKOTPCHSA-N 0 3 316.445 2.401 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001567893702 1064489860 /nfs/dbraw/zinc/48/98/60/1064489860.db2.gz HDEAQHONQWGDQO-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001567906509 1064497947 /nfs/dbraw/zinc/49/79/47/1064497947.db2.gz KPNPRCVOHGKDCQ-NVXWUHKLSA-N 0 3 302.418 2.483 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)COc2ccc(C)cc2)C1 ZINC001494869800 1064529233 /nfs/dbraw/zinc/52/92/33/1064529233.db2.gz ZRSRGXMYEZFAIY-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001567930881 1064533374 /nfs/dbraw/zinc/53/33/74/1064533374.db2.gz RWLNYDCUDVNHFN-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](CC)NCc2ncccc2C)cn1 ZINC001495092943 1064691131 /nfs/dbraw/zinc/69/11/31/1064691131.db2.gz MOSHGKJPTPKJKW-QGZVFWFLSA-N 0 3 322.412 2.065 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cncnc2C)CCCC1 ZINC001495133395 1064717662 /nfs/dbraw/zinc/71/76/62/1064717662.db2.gz VHZRIHGIOMQBTD-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C=CCC1(C(=O)N2CCC3(CN(C[C@@H](C)O)C3)CC2)CCCC1 ZINC001568253894 1064729512 /nfs/dbraw/zinc/72/95/12/1064729512.db2.gz SVIFOMDPKJKHHY-MRXNPFEDSA-N 0 3 320.477 2.428 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@H](C)c1ccccc1F ZINC001568306185 1064767916 /nfs/dbraw/zinc/76/79/16/1064767916.db2.gz FZWMOXSWTFCRGL-HUUCEWRRSA-N 0 3 320.408 2.016 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001495373249 1064867397 /nfs/dbraw/zinc/86/73/97/1064867397.db2.gz VRCMKVAGLXQOQO-AWEZNQCLSA-N 0 3 314.857 2.384 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ncoc1C(F)(F)F ZINC001568487571 1064905832 /nfs/dbraw/zinc/90/58/32/1064905832.db2.gz HVUDFZVQLKCAIB-UHFFFAOYSA-N 0 3 305.300 2.273 20 30 DEEDHN CCC(C)(C)CC(=O)N1CC[C@H]2[C@H](CCN2CC#CCOC)C1 ZINC001568514056 1064925549 /nfs/dbraw/zinc/92/55/49/1064925549.db2.gz SOMWHSXWFABHGE-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1csnc1OC ZINC001568519666 1064930230 /nfs/dbraw/zinc/93/02/30/1064930230.db2.gz MDVPGXHCWFQTAO-GXTWGEPZSA-N 0 3 323.462 2.492 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC001568551735 1064959177 /nfs/dbraw/zinc/95/91/77/1064959177.db2.gz QMVHAWGVVMKJKP-OAHLLOKOSA-N 0 3 315.417 2.079 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC001568554690 1064961380 /nfs/dbraw/zinc/96/13/80/1064961380.db2.gz UTJBKKBVYBKWNA-CLFYSBASSA-N 0 3 316.401 2.395 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC001618813648 1078159262 /nfs/dbraw/zinc/15/92/62/1078159262.db2.gz LEUYHVFSSMIRSM-UHFFFAOYSA-N 0 3 305.422 2.491 20 30 DEEDHN C=CC(C)(C)CC(=O)N(CC)CCN[C@H]1CCN(C(C)C)C1=O ZINC001568745170 1065097208 /nfs/dbraw/zinc/09/72/08/1065097208.db2.gz JJUSCCMFTXOBAP-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C12CCC(CC1)C2(C)C ZINC001568783167 1065114034 /nfs/dbraw/zinc/11/40/34/1065114034.db2.gz PCIIIBFMTVHBKV-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@](C)(CNCc1n[nH]c(C)n1)C1CC1 ZINC001267852285 1079540602 /nfs/dbraw/zinc/54/06/02/1079540602.db2.gz CKCSNONXOSYXDD-KRWDZBQOSA-N 0 3 319.453 2.090 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001568866829 1065166166 /nfs/dbraw/zinc/16/61/66/1065166166.db2.gz XYQUDEKQATUCEA-NTQVKLLNSA-N 0 3 302.340 2.250 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1Cl)N(C)C(=O)C(F)F ZINC001495981973 1065205257 /nfs/dbraw/zinc/20/52/57/1065205257.db2.gz AMGGFTIFUNHVGP-LLVKDONJSA-N 0 3 314.763 2.393 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001569056550 1065261658 /nfs/dbraw/zinc/26/16/58/1065261658.db2.gz GRQFISFPFMLHJE-KBPBESRZSA-N 0 3 306.381 2.021 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001569075015 1065270904 /nfs/dbraw/zinc/27/09/04/1065270904.db2.gz DZXNNZIMDCKGJL-AWEZNQCLSA-N 0 3 315.392 2.485 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1 ZINC001569115394 1065295524 /nfs/dbraw/zinc/29/55/24/1065295524.db2.gz PYUALHNIFGOEGS-KTVHGJBKSA-N 0 3 316.445 2.463 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1ccn(C(C)C)c1C ZINC001496137910 1065297001 /nfs/dbraw/zinc/29/70/01/1065297001.db2.gz HFZCTFLWPKAFFX-OAHLLOKOSA-N 0 3 319.449 2.077 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001569362901 1065459944 /nfs/dbraw/zinc/45/99/44/1065459944.db2.gz JAFSSHLFXNGRGC-RYUDHWBXSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(CC)c[nH]c1=O ZINC001569379863 1065476215 /nfs/dbraw/zinc/47/62/15/1065476215.db2.gz JXLQGTDYYMMKII-AWEZNQCLSA-N 0 3 303.406 2.120 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001569455371 1065516942 /nfs/dbraw/zinc/51/69/42/1065516942.db2.gz JBSQQKIGNCBWOW-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CCN(C)CC(=O)NCC)CC1 ZINC001496505173 1065519370 /nfs/dbraw/zinc/51/93/70/1065519370.db2.gz WBJRKRZMWOGUAO-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2ccn(CC)n2)C1 ZINC001484329754 1079544041 /nfs/dbraw/zinc/54/40/41/1079544041.db2.gz AAOGPKQPIVEBPU-HUUCEWRRSA-N 0 3 304.438 2.196 20 30 DEEDHN CC1(NC(=O)C#CC2CC2)CCN(CCc2ccns2)CC1 ZINC001569572372 1065601911 /nfs/dbraw/zinc/60/19/11/1065601911.db2.gz HDRGEWUICUJYNQ-UHFFFAOYSA-N 0 3 317.458 2.070 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2cccc(F)c2)CC1 ZINC001569577303 1065603270 /nfs/dbraw/zinc/60/32/70/1065603270.db2.gz MOZWAYMLVWKPNM-UHFFFAOYSA-N 0 3 302.393 2.362 20 30 DEEDHN C#CCN1CC[C@H](N2CCN(C(=O)CCCCC(C)C)CC2)C1 ZINC001569625874 1065628505 /nfs/dbraw/zinc/62/85/05/1065628505.db2.gz DDMJNTFFKQHXFM-SFHVURJKSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001569643251 1065645349 /nfs/dbraw/zinc/64/53/49/1065645349.db2.gz VKUROBMXPLRJEW-GOSISDBHSA-N 0 3 312.417 2.262 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001569650769 1065651187 /nfs/dbraw/zinc/65/11/87/1065651187.db2.gz HUFZZNZHYFDRRU-KSSFIOAISA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCOc2cccnc2)C1 ZINC001569655807 1065654779 /nfs/dbraw/zinc/65/47/79/1065654779.db2.gz XBHHYNHERVXKNZ-SFHVURJKSA-N 0 3 317.433 2.397 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)C2CC3(CC3)C2)CC1 ZINC001569704816 1065680359 /nfs/dbraw/zinc/68/03/59/1065680359.db2.gz CMAKFJPJCPAKBC-UHFFFAOYSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001569716657 1065687109 /nfs/dbraw/zinc/68/71/09/1065687109.db2.gz ZXZFEXVFSFSIDK-QAPCUYQASA-N 0 3 318.465 2.232 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cncc(COC)c2)C1 ZINC001569715290 1065687129 /nfs/dbraw/zinc/68/71/29/1065687129.db2.gz LVUYUXLAEIRPKT-SFHVURJKSA-N 0 3 317.433 2.246 20 30 DEEDHN C=CCCC(=O)NC[C@]1(O)CCN(C/C=C\c2ccccc2)C1 ZINC001569744755 1065701092 /nfs/dbraw/zinc/70/10/92/1065701092.db2.gz FOVZRRBLVQKCBP-JNLAIUADSA-N 0 3 314.429 2.219 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1c(F)cc(OC)cc1F ZINC001496784939 1065712111 /nfs/dbraw/zinc/71/21/11/1065712111.db2.gz DPBCJXJJONAEFV-UHFFFAOYSA-N 0 3 310.344 2.001 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1ccn(C)n1 ZINC001496897343 1065786730 /nfs/dbraw/zinc/78/67/30/1065786730.db2.gz DTMHXOLCZQIOMJ-UKRRQHHQSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CC(C)(C)C(=O)N(CCO)CCNCc1ccc(C)c(F)c1 ZINC001569943156 1065830695 /nfs/dbraw/zinc/83/06/95/1065830695.db2.gz PWTCNCGDAKUIAC-UHFFFAOYSA-N 0 3 322.424 2.257 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C(C)(C)N(C)CC ZINC001497135032 1065910087 /nfs/dbraw/zinc/91/00/87/1065910087.db2.gz PJUGBOJIIJRXCK-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNC1(CNC(=O)COc2c(C)cccc2C)CCC1 ZINC001570126364 1065934320 /nfs/dbraw/zinc/93/43/20/1065934320.db2.gz MOXFOJIZKMQFSU-UHFFFAOYSA-N 0 3 314.429 2.334 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001570177590 1065955418 /nfs/dbraw/zinc/95/54/18/1065955418.db2.gz ORVQVDHZVORLPY-SFHVURJKSA-N 0 3 318.461 2.375 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001570183908 1065959498 /nfs/dbraw/zinc/95/94/98/1065959498.db2.gz SZHXAKUDLONYCX-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc(C(C)(C)C)nc1 ZINC001570218097 1065976579 /nfs/dbraw/zinc/97/65/79/1065976579.db2.gz KVPNQKLEBKOOEK-UHFFFAOYSA-N 0 3 316.449 2.191 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@](CO)(NC/C=C\Cl)C1 ZINC001570290715 1066005434 /nfs/dbraw/zinc/00/54/34/1066005434.db2.gz CVZKKIJBJMGXPA-CXOKCQFOSA-N 0 3 314.857 2.284 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001570295451 1066006494 /nfs/dbraw/zinc/00/64/94/1066006494.db2.gz HYHQARNXYARPJW-IEBWSBKVSA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C)nn(CC)c1C ZINC001497289321 1066007874 /nfs/dbraw/zinc/00/78/74/1066007874.db2.gz IAPAKLRXHAIGLW-NSHDSACASA-N 0 3 312.845 2.370 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001570392245 1066048511 /nfs/dbraw/zinc/04/85/11/1066048511.db2.gz ZHIJYNHHPBFZIO-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)c1cc[nH]c1 ZINC001497388783 1066067397 /nfs/dbraw/zinc/06/73/97/1066067397.db2.gz OAVFKEVADQNEIQ-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2ccc(Cl)cc2)C[C@H]1C ZINC001570449176 1066077877 /nfs/dbraw/zinc/07/78/77/1066077877.db2.gz MXGNPGOKVVOSKO-UKRRQHHQSA-N 0 3 320.820 2.321 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001497424857 1066086824 /nfs/dbraw/zinc/08/68/24/1066086824.db2.gz UKCAEIOJMHBHHZ-INIZCTEOSA-N 0 3 320.820 2.105 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1nccs1 ZINC001497471550 1066109256 /nfs/dbraw/zinc/10/92/56/1066109256.db2.gz NHEBUHBOLPARNE-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1[nH]c2ccccc2c1OC ZINC001497505759 1066118459 /nfs/dbraw/zinc/11/84/59/1066118459.db2.gz MPULIBFIKBRFOF-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN CS[C@@H](C)C(=O)NC/C=C\CNCc1ccc(F)c(C#N)c1 ZINC001497533232 1066130067 /nfs/dbraw/zinc/13/00/67/1066130067.db2.gz FNUURMXCEDPEJB-MVZIDQBPSA-N 0 3 321.421 2.211 20 30 DEEDHN C=CCCC(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001497541628 1066133299 /nfs/dbraw/zinc/13/32/99/1066133299.db2.gz QLQFQNBVZJPFSA-SNAWJCMRSA-N 0 3 301.365 2.426 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001497621987 1066193956 /nfs/dbraw/zinc/19/39/56/1066193956.db2.gz ZDWUJDAKWJIIAC-XDXAGZTOSA-N 0 3 312.413 2.089 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CC12CCC2 ZINC001497922285 1066414677 /nfs/dbraw/zinc/41/46/77/1066414677.db2.gz MZXUTOHCCFPZJE-PBHICJAKSA-N 0 3 314.404 2.462 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C[C@@H](C)C1CCCCC1 ZINC001497938453 1066421138 /nfs/dbraw/zinc/42/11/38/1066421138.db2.gz JGZQEFBISWOAES-HZPDHXFCSA-N 0 3 308.466 2.337 20 30 DEEDHN CCCC(=O)N[C@@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001498218841 1066569044 /nfs/dbraw/zinc/56/90/44/1066569044.db2.gz VBVSMXJLXZJBIF-AWEZNQCLSA-N 0 3 303.406 2.326 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)CC1CC1 ZINC001498218321 1066569139 /nfs/dbraw/zinc/56/91/39/1066569139.db2.gz PTRWOCCUMHBPJE-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001498270686 1066608427 /nfs/dbraw/zinc/60/84/27/1066608427.db2.gz RHIIVKDQZLJSBT-UGFHNGPFSA-N 0 3 321.371 2.396 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1noc2ccc(F)cc12 ZINC001498403560 1066683597 /nfs/dbraw/zinc/68/35/97/1066683597.db2.gz BDHPJLJQEKJMHU-LLVKDONJSA-N 0 3 305.353 2.132 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)c1ccoc1 ZINC001498728787 1066853516 /nfs/dbraw/zinc/85/35/16/1066853516.db2.gz XJALGSQLEKXQJF-SFHVURJKSA-N 0 3 308.381 2.429 20 30 DEEDHN CCN(Cc1ccccc1F)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001577740450 1066919490 /nfs/dbraw/zinc/91/94/90/1066919490.db2.gz MNVHIUUBXKACKH-SWKXRBFHSA-N 0 3 315.392 2.314 20 30 DEEDHN CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1CC ZINC001498880104 1066936615 /nfs/dbraw/zinc/93/66/15/1066936615.db2.gz AWJMNOVOJQDUCK-GDBMZVCRSA-N 0 3 300.402 2.246 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001498953532 1066979000 /nfs/dbraw/zinc/97/90/00/1066979000.db2.gz ACEKEMBTWFLNNN-HNNXBMFYSA-N 0 3 300.406 2.437 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001498987154 1067003528 /nfs/dbraw/zinc/00/35/28/1067003528.db2.gz UKFFUMRESJWVBW-HIFRSBDPSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COc1cc(F)cc(F)c1 ZINC001635758010 1078457892 /nfs/dbraw/zinc/45/78/92/1078457892.db2.gz ULSYRPAQLMMRML-UHFFFAOYSA-N 0 3 312.360 2.310 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001499058997 1067063515 /nfs/dbraw/zinc/06/35/15/1067063515.db2.gz WVMAJDJDKJEMIK-MRXNPFEDSA-N 0 3 312.417 2.413 20 30 DEEDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](N)CCCCC#N ZINC001578478867 1067115250 /nfs/dbraw/zinc/11/52/50/1067115250.db2.gz WSOWBVYWHGAJCC-HNNXBMFYSA-N 0 3 318.377 2.007 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cc(F)c(F)cc1Cl ZINC001266988291 1078483976 /nfs/dbraw/zinc/48/39/76/1078483976.db2.gz FSUBWGUGXHJEBE-VIFPVBQESA-N 0 3 300.736 2.349 20 30 DEEDHN CC[C@@H](CC(=O)NC[C@@H](C)NCC#CCOC)c1ccccc1 ZINC001266982276 1078479615 /nfs/dbraw/zinc/47/96/15/1078479615.db2.gz AFLNNQICXCYBPN-SJORKVTESA-N 0 3 316.445 2.314 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C3(C)CC3)CC2)cc1C#N ZINC001499234039 1067151104 /nfs/dbraw/zinc/15/11/04/1067151104.db2.gz YKJGAHJEUCDEPB-UHFFFAOYSA-N 0 3 313.401 2.105 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2(NCc3ccccc3)CC2)c1 ZINC001499345042 1067191532 /nfs/dbraw/zinc/19/15/32/1067191532.db2.gz LJUDMBFLSZNBAO-UHFFFAOYSA-N 0 3 305.381 2.115 20 30 DEEDHN CSc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1C#N ZINC001579387978 1067323722 /nfs/dbraw/zinc/32/37/22/1067323722.db2.gz LCUHPPJOPIGSMD-CQSZACIVSA-N 0 3 316.430 2.308 20 30 DEEDHN Cc1ncoc1CNC[C@@H]1CCCC[C@H]1NC(=O)C#CC(C)C ZINC001483434202 1078529697 /nfs/dbraw/zinc/52/96/97/1078529697.db2.gz KHRDUUHIBBCVHO-JKSUJKDBSA-N 0 3 317.433 2.407 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC001580042483 1067479876 /nfs/dbraw/zinc/47/98/76/1067479876.db2.gz TZZUMIRXIVJONM-HJODHOHWSA-N 0 3 301.434 2.164 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@@H]3CCCC[C@@H]3C1)C2 ZINC001580042485 1067480022 /nfs/dbraw/zinc/48/00/22/1067480022.db2.gz TZZUMIRXIVJONM-SYJFRIGUSA-N 0 3 301.434 2.164 20 30 DEEDHN N#CCOc1cccc(NCc2nc3c(s2)CNCC3)c1 ZINC001580051952 1067483141 /nfs/dbraw/zinc/48/31/41/1067483141.db2.gz BSQGMAUDAFCHDB-UHFFFAOYSA-N 0 3 300.387 2.303 20 30 DEEDHN CCN(C)[C@H]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 ZINC001637913161 1078540132 /nfs/dbraw/zinc/54/01/32/1078540132.db2.gz WEKUCDNPQJSVMJ-YDZSZYSISA-N 0 3 300.402 2.287 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCc1snnc1C ZINC001483489693 1078566602 /nfs/dbraw/zinc/56/66/02/1078566602.db2.gz IHNKMKFCIGOHLO-HNNXBMFYSA-N 0 3 310.467 2.387 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccc(CO)cc1 ZINC001480917079 1078574420 /nfs/dbraw/zinc/57/44/20/1078574420.db2.gz GGYFXGBWHWBEGB-UHFFFAOYSA-N 0 3 304.434 2.329 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001267110631 1078588581 /nfs/dbraw/zinc/58/85/81/1078588581.db2.gz GTVXBHQTRBFMFV-IAGOWNOFSA-N 0 3 311.429 2.058 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CC1)c1ccccn1 ZINC001483540113 1078583090 /nfs/dbraw/zinc/58/30/90/1078583090.db2.gz KGZJNLFJHMKDQM-LJQANCHMSA-N 0 3 319.408 2.231 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2nn(C)c3ccccc32)C1 ZINC001267113211 1078590861 /nfs/dbraw/zinc/59/08/61/1078590861.db2.gz GNZHOGAZQXGFRP-OAHLLOKOSA-N 0 3 324.428 2.133 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(Cl)n[nH]c1CC ZINC001570533374 1067988809 /nfs/dbraw/zinc/98/88/09/1067988809.db2.gz ZSOLXTGUCGYXPC-NSHDSACASA-N 0 3 310.829 2.348 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001570534365 1067989189 /nfs/dbraw/zinc/98/91/89/1067989189.db2.gz IFDUSYBVLNIXHG-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1c(C)ncn1C ZINC001267169744 1078634146 /nfs/dbraw/zinc/63/41/46/1078634146.db2.gz WEOMRMHSJCAIPQ-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001570828692 1068131975 /nfs/dbraw/zinc/13/19/75/1068131975.db2.gz RKXHVODDBVYOMO-GDBMZVCRSA-N 0 3 304.438 2.070 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCc1nccs1 ZINC001570828807 1068132562 /nfs/dbraw/zinc/13/25/62/1068132562.db2.gz UEPUVYWXLKWVGW-AWEZNQCLSA-N 0 3 305.447 2.070 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)C#CC(C)C)C2)C1 ZINC001570884243 1068146466 /nfs/dbraw/zinc/14/64/66/1068146466.db2.gz HKILWYRAOIXUHD-IEBWSBKVSA-N 0 3 318.461 2.304 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCC(=O)NC1CCCC1 ZINC001571404243 1068278726 /nfs/dbraw/zinc/27/87/26/1068278726.db2.gz IEDXQPQPZMOCMT-KSSFIOAISA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001670756061 1078684617 /nfs/dbraw/zinc/68/46/17/1078684617.db2.gz ZKCHYXJKUHLOQZ-UHFFFAOYSA-N 0 3 308.809 2.281 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1cccnc1 ZINC001571449550 1068295988 /nfs/dbraw/zinc/29/59/88/1068295988.db2.gz OWMGPJZGKKEDOD-VQIMIIECSA-N 0 3 319.408 2.326 20 30 DEEDHN C=CCOCC(=O)NCCN(CC)[C@H]1CCc2c1cccc2F ZINC001267238570 1078689193 /nfs/dbraw/zinc/68/91/93/1078689193.db2.gz PFCXKJALBVLMBN-KRWDZBQOSA-N 0 3 320.408 2.454 20 30 DEEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)c1ccc[nH]1 ZINC001571471415 1068323270 /nfs/dbraw/zinc/32/32/70/1068323270.db2.gz RATVXZZHEZEKJB-NVXWUHKLSA-N 0 3 307.397 2.259 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC001267241415 1078691376 /nfs/dbraw/zinc/69/13/76/1078691376.db2.gz WXTHTUMQROTALL-LSDHHAIUSA-N 0 3 320.408 2.363 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001571489456 1068345229 /nfs/dbraw/zinc/34/52/29/1068345229.db2.gz QLNZGRMDWYWZQA-HZPDHXFCSA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2ccccc2Cl)C1 ZINC001571492597 1068348349 /nfs/dbraw/zinc/34/83/49/1068348349.db2.gz GQKUBPNUMCDBTA-ZIAGYGMSSA-N 0 3 320.820 2.321 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC001571516666 1068378899 /nfs/dbraw/zinc/37/88/99/1068378899.db2.gz HQSZDRVQUFKZOY-OCCSQVGLSA-N 0 3 316.392 2.203 20 30 DEEDHN Cc1oncc1CN(CCCNC(=O)C#CC1CC1)C(C)C ZINC001267256903 1078703006 /nfs/dbraw/zinc/70/30/06/1078703006.db2.gz HLKCBGIEKZESGW-UHFFFAOYSA-N 0 3 303.406 2.113 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCc2cnn(C)c2)[C@H]1C ZINC001571521954 1068390167 /nfs/dbraw/zinc/39/01/67/1068390167.db2.gz ZDYLWMNRXMWIEN-HOCLYGCPSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC001571522637 1068391903 /nfs/dbraw/zinc/39/19/03/1068391903.db2.gz ICUDFWYFKUKBJY-HOTGVXAUSA-N 0 3 320.433 2.302 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001571534623 1068402734 /nfs/dbraw/zinc/40/27/34/1068402734.db2.gz QUGATUOOIXJNFP-LSDHHAIUSA-N 0 3 317.433 2.407 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cc2c([nH]c1=O)CCC2)C(C)C ZINC001571616107 1068441882 /nfs/dbraw/zinc/44/18/82/1068441882.db2.gz QRWPZZMAVVFDTO-UHFFFAOYSA-N 0 3 317.433 2.244 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)CCc2nc(C)cs2)CC1 ZINC001571644298 1068456950 /nfs/dbraw/zinc/45/69/50/1068456950.db2.gz LAGQIHJKJGIOEV-CQSZACIVSA-N 0 3 319.474 2.234 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC001571654666 1068462260 /nfs/dbraw/zinc/46/22/60/1068462260.db2.gz JOLWIWAVOBZAEF-IUDNXUCKSA-N 0 3 321.421 2.043 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001512127852 1068479690 /nfs/dbraw/zinc/47/96/90/1068479690.db2.gz UHHSXPOHDLCETJ-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@H](C)CO2)c(F)c1 ZINC001571702986 1068491375 /nfs/dbraw/zinc/49/13/75/1068491375.db2.gz POCRLXCMAQAZAA-BLLLJJGKSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001267280962 1078727373 /nfs/dbraw/zinc/72/73/73/1078727373.db2.gz IEIFGFUNSOGBMC-MRXNPFEDSA-N 0 3 318.417 2.092 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001571839046 1068549752 /nfs/dbraw/zinc/54/97/52/1068549752.db2.gz JREVCKXCSOHXSM-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CCOCC1 ZINC001483651314 1078743501 /nfs/dbraw/zinc/74/35/01/1078743501.db2.gz PBYGACYCIGSGDR-GFCCVEGCSA-N 0 3 320.355 2.112 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CN(CC)CC)C1 ZINC001572399684 1068753552 /nfs/dbraw/zinc/75/35/52/1068753552.db2.gz CMVRCWBHXZDUOC-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ccn(C)c1C)c1ccccc1 ZINC001267371057 1078799566 /nfs/dbraw/zinc/79/95/66/1078799566.db2.gz WBBBXVWVJKTLNE-GOSISDBHSA-N 0 3 309.413 2.418 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)[C@]1(C)CCOC1)c1ccccc1 ZINC001267376812 1078807050 /nfs/dbraw/zinc/80/70/50/1078807050.db2.gz JNALBHXMYZGITF-FUHWJXTLSA-N 0 3 302.418 2.436 20 30 DEEDHN COCC#CC(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001643760334 1078812213 /nfs/dbraw/zinc/81/22/13/1078812213.db2.gz INRVDYZVESJPAR-SFHVURJKSA-N 0 3 314.429 2.149 20 30 DEEDHN Cc1ccn(-c2cccc(C(=O)C(C#N)c3ccncn3)c2)n1 ZINC001516767116 1068943644 /nfs/dbraw/zinc/94/36/44/1068943644.db2.gz KUQQLDMCJJBVKV-OAHLLOKOSA-N 0 3 303.325 2.461 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385587 1078845746 /nfs/dbraw/zinc/84/57/46/1078845746.db2.gz CNGIPFSNALDRJQ-GOSISDBHSA-N 0 3 316.401 2.241 20 30 DEEDHN CNCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC001573896854 1069126676 /nfs/dbraw/zinc/12/66/76/1069126676.db2.gz YUSREHDUSGXDQJ-UHFFFAOYSA-N 0 3 311.389 2.199 20 30 DEEDHN CCCC[C@H](CC)CN1CC2(C1)COCC(=O)N2CCCC#N ZINC001272430178 1078869873 /nfs/dbraw/zinc/86/98/73/1078869873.db2.gz OLSKWLVYODFARL-INIZCTEOSA-N 0 3 321.465 2.420 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC001521687174 1069262748 /nfs/dbraw/zinc/26/27/48/1069262748.db2.gz RMYIGRMTVLBXQV-YOEHRIQHSA-N 0 3 310.438 2.108 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001574851141 1069276209 /nfs/dbraw/zinc/27/62/09/1069276209.db2.gz ANKXEZSWPKLOKH-RDBSUJKOSA-N 0 3 300.830 2.122 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001574902732 1069292024 /nfs/dbraw/zinc/29/20/24/1069292024.db2.gz DZUUHEKUYVOEGZ-JQWIXIFHSA-N 0 3 302.378 2.129 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)OC)cc1OC ZINC001574908302 1069295188 /nfs/dbraw/zinc/29/51/88/1069295188.db2.gz JLOQVUOBKUBXBE-GFCCVEGCSA-N 0 3 306.362 2.104 20 30 DEEDHN CN(CCNC(=O)CC#Cc1ccccc1)C[C@@H]1CCCCO1 ZINC001480949084 1078889443 /nfs/dbraw/zinc/88/94/43/1078889443.db2.gz CRUBNFZJCMYDFW-SFHVURJKSA-N 0 3 314.429 2.045 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC001272556256 1078960598 /nfs/dbraw/zinc/96/05/98/1078960598.db2.gz PWUHJGXMUKWKJZ-KBPBESRZSA-N 0 3 302.846 2.238 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cncc(C#C)c1)c1ccccc1 ZINC001267523135 1078952828 /nfs/dbraw/zinc/95/28/28/1078952828.db2.gz PLDYJRUGFKGLRQ-LJQANCHMSA-N 0 3 317.392 2.147 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cccn1C)CC2 ZINC001272572492 1078968189 /nfs/dbraw/zinc/96/81/89/1078968189.db2.gz FWHLCXBJVWKLAC-UHFFFAOYSA-N 0 3 301.434 2.416 20 30 DEEDHN N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1ccco1)CC2 ZINC001272580331 1078979568 /nfs/dbraw/zinc/97/95/68/1078979568.db2.gz DUQMVXODNUCTKJ-HNNXBMFYSA-N 0 3 301.390 2.302 20 30 DEEDHN CCOC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)c(OC)c1 ZINC001645759114 1078982197 /nfs/dbraw/zinc/98/21/97/1078982197.db2.gz XOZPHSUHMVIZMF-HNNXBMFYSA-N 0 3 302.374 2.484 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(OC)cc2C)C1=O ZINC001272631451 1079024172 /nfs/dbraw/zinc/02/41/72/1079024172.db2.gz MNDLASIFPMMTGF-LJQANCHMSA-N 0 3 312.413 2.204 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC001272646047 1079039834 /nfs/dbraw/zinc/03/98/34/1079039834.db2.gz JSKUXALIDZGMOG-KRWDZBQOSA-N 0 3 309.413 2.463 20 30 DEEDHN CCN(C)Cc1cc(O[C@H]2CCN(CC3(C#N)CC3)C2)ccn1 ZINC001646006638 1079075664 /nfs/dbraw/zinc/07/56/64/1079075664.db2.gz SYGYOCPEPZKXKG-KRWDZBQOSA-N 0 3 314.433 2.290 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc(F)cc1C)CC2 ZINC001272667583 1079087272 /nfs/dbraw/zinc/08/72/72/1079087272.db2.gz VFBITZHWFDMRKH-QGZVFWFLSA-N 0 3 314.404 2.486 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC001649441394 1079121000 /nfs/dbraw/zinc/12/10/00/1079121000.db2.gz AHSGYYGKQPOBHY-WNRNVDISSA-N 0 3 314.429 2.435 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN([C@@H](CCCC)C(N)=O)C1 ZINC001481104622 1079189890 /nfs/dbraw/zinc/18/98/90/1079189890.db2.gz DDHRIGLVBLCLIB-GJZGRUSLSA-N 0 3 323.481 2.071 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H]1CNCC#Cc1ccc(F)cc1 ZINC001483931504 1079194114 /nfs/dbraw/zinc/19/41/14/1079194114.db2.gz NHZJITFBFWZREF-IBGZPJMESA-N 0 3 324.399 2.171 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001484035407 1079257723 /nfs/dbraw/zinc/25/77/23/1079257723.db2.gz BCERSUIFRNRELV-SFHVURJKSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001484044912 1079263930 /nfs/dbraw/zinc/26/39/30/1079263930.db2.gz MWBBOYARZGURFG-QAPCUYQASA-N 0 3 300.402 2.147 20 30 DEEDHN C[C@H](C#N)C(=O)NCCN(Cc1ccc(CF)cc1)C1CC1 ZINC001481162798 1079277352 /nfs/dbraw/zinc/27/73/52/1079277352.db2.gz OKVINFQSFQAUDJ-CYBMUJFWSA-N 0 3 303.381 2.396 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001368644702 1148546294 /nfs/dbraw/zinc/54/62/94/1148546294.db2.gz MZRJXMHSEAEMDJ-SQWLQELKSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001484074686 1079288996 /nfs/dbraw/zinc/28/89/96/1079288996.db2.gz UAXVCMXWJHDBHR-NGXVOCDNSA-N 0 3 318.461 2.062 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc(CC)[nH]c(=O)c1)C1CC1 ZINC001481176652 1079293178 /nfs/dbraw/zinc/29/31/78/1079293178.db2.gz JZLHGBLOUMXQEN-UHFFFAOYSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1COc2ccc(F)cc2C1)C1CC1 ZINC001481177834 1079296869 /nfs/dbraw/zinc/29/68/69/1079296869.db2.gz MACSLKPBNXGKDV-AWEZNQCLSA-N 0 3 318.392 2.143 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(CNCc2cnns2)C1 ZINC001484108017 1079308287 /nfs/dbraw/zinc/30/82/87/1079308287.db2.gz MUBPSTIIPYTIAY-BBRMVZONSA-N 0 3 322.478 2.469 20 30 DEEDHN CCC[C@H]1CN(c2cccc(CC#N)n2)CCN1CCOC ZINC001647144298 1074814632 /nfs/dbraw/zinc/81/46/32/1074814632.db2.gz CUZCTTOYZVWHTN-INIZCTEOSA-N 0 3 302.422 2.085 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(NC(C)=O)c(F)c1)C1CC1 ZINC001481198536 1079329145 /nfs/dbraw/zinc/32/91/45/1079329145.db2.gz IACJZGAASZDYAZ-UHFFFAOYSA-N 0 3 319.380 2.164 20 30 DEEDHN CC(=O)NC[C@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001484148516 1079330693 /nfs/dbraw/zinc/33/06/93/1079330693.db2.gz POTSDZKGAQTXEL-SFHVURJKSA-N 0 3 315.417 2.327 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(COCC)CC2)C1 ZINC001484164548 1079339165 /nfs/dbraw/zinc/33/91/65/1079339165.db2.gz YGZAWBYMXKVGNV-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001484165504 1079340101 /nfs/dbraw/zinc/34/01/01/1079340101.db2.gz VILSDZFUPIJTDQ-SOLBZPMBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc(C=O)cc1 ZINC001556466600 1075032295 /nfs/dbraw/zinc/03/22/95/1075032295.db2.gz FSWOFQXPEDKLIO-KHPPLWFESA-N 0 3 300.402 2.479 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC001556466813 1075032800 /nfs/dbraw/zinc/03/28/00/1075032800.db2.gz 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ZINC001565849846 1075196694 /nfs/dbraw/zinc/19/66/94/1075196694.db2.gz QMMAEOFOENMIMA-HRCADAONSA-N 0 3 316.449 2.372 20 30 DEEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC001565874881 1075202243 /nfs/dbraw/zinc/20/22/43/1075202243.db2.gz YWTSMRHDUXVDAJ-BZSNNMDCSA-N 0 3 308.425 2.323 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cncc(F)c2)[C@H]1CC ZINC001566009488 1075216354 /nfs/dbraw/zinc/21/63/54/1075216354.db2.gz NKHTVDDGPZZTMX-JKSUJKDBSA-N 0 3 321.396 2.006 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC001566034876 1075219400 /nfs/dbraw/zinc/21/94/00/1075219400.db2.gz ZYRGRJMBHYXOSL-INIZCTEOSA-N 0 3 320.408 2.219 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccnc(OC2CCC2)c1 ZINC001566504015 1075263114 /nfs/dbraw/zinc/26/31/14/1075263114.db2.gz AKLHQKRBZBELMK-UHFFFAOYSA-N 0 3 315.417 2.088 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(OCC)c(OC)c1 ZINC001566516006 1075267580 /nfs/dbraw/zinc/26/75/80/1075267580.db2.gz VFSVXDGOYRDYND-UHFFFAOYSA-N 0 3 318.417 2.169 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001566524514 1075269165 /nfs/dbraw/zinc/26/91/65/1075269165.db2.gz CWMPFVJIYFPCMC-BRAFPAACSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@]12CCO[C@@H]1CCCC2)C1CC1 ZINC001566591582 1075290965 /nfs/dbraw/zinc/29/09/65/1075290965.db2.gz CTTLRPPKCGCIHY-MJGOQNOKSA-N 0 3 318.461 2.330 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001566719805 1075326391 /nfs/dbraw/zinc/32/63/91/1075326391.db2.gz ONSOZBDFYLEVMG-KKXDTOCCSA-N 0 3 314.404 2.318 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](NCc2cnoc2C)C1)OCC ZINC001566792673 1075346174 /nfs/dbraw/zinc/34/61/74/1075346174.db2.gz UAUYQWLYXSGMKQ-JYJNAYRXSA-N 0 3 321.421 2.091 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001566923991 1075388393 /nfs/dbraw/zinc/38/83/93/1075388393.db2.gz FOTRVTBIZCHKTF-SOLBZPMBSA-N 0 3 306.450 2.350 20 30 DEEDHN CCCC1(C(=O)N[C@H](C)[C@@H]2CCCN(CC#CCOC)C2)CC1 ZINC001566966659 1075402980 /nfs/dbraw/zinc/40/29/80/1075402980.db2.gz YCKPEDMBAIROPZ-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCO1 ZINC001267713189 1079400673 /nfs/dbraw/zinc/40/06/73/1079400673.db2.gz ZWACENWQDZQQAF-HRCADAONSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)N[C@@H](C)c1ccccc1F ZINC001567016467 1075416765 /nfs/dbraw/zinc/41/67/65/1075416765.db2.gz ZGPQKIXCRDPJOQ-KBPBESRZSA-N 0 3 306.381 2.021 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccccc2N(C)C)C1 ZINC001567092031 1075430615 /nfs/dbraw/zinc/43/06/15/1075430615.db2.gz UCFIPEXOKTZLBZ-INIZCTEOSA-N 0 3 301.434 2.409 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001567127464 1075438276 /nfs/dbraw/zinc/43/82/76/1075438276.db2.gz MKZKZXWZDBNIDL-HNNXBMFYSA-N 0 3 304.438 2.197 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001567192369 1075459306 /nfs/dbraw/zinc/45/93/06/1075459306.db2.gz YFZBPCODIKEFHL-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN COc1ccnc(CN[C@H](C)CCNC(=O)C#CC(C)(C)C)c1 ZINC001567215097 1075465626 /nfs/dbraw/zinc/46/56/26/1075465626.db2.gz MPXQSCVXPUXSLC-CQSZACIVSA-N 0 3 317.433 2.124 20 30 DEEDHN CC[C@H]1CC[C@@H](C(=O)N(C)CCNCc2ccc(C#N)s2)O1 ZINC001481236722 1079446120 /nfs/dbraw/zinc/44/61/20/1079446120.db2.gz NTDDOAMKBLODMV-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CN(C)C(=O)Cn1ccnc1C(C)C ZINC001369300191 1148895160 /nfs/dbraw/zinc/89/51/60/1148895160.db2.gz ZKLYHFIPCQWUGW-ZDUSSCGKSA-N 0 3 312.845 2.196 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC1(C)CC1 ZINC001481260345 1079485521 /nfs/dbraw/zinc/48/55/21/1079485521.db2.gz TWUPYWFBALMVFL-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001580771484 1075991305 /nfs/dbraw/zinc/99/13/05/1075991305.db2.gz HFAFEHSFILTYCN-MAUKXSAKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N(C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001580791574 1075996106 /nfs/dbraw/zinc/99/61/06/1075996106.db2.gz YJDJQWCIKCBDLJ-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001581188267 1076048352 /nfs/dbraw/zinc/04/83/52/1076048352.db2.gz ANTVQLOOMKBHKD-KRWDZBQOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001581868850 1076106282 /nfs/dbraw/zinc/10/62/82/1076106282.db2.gz SIGWCGBZOITQMO-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC001581872398 1076106482 /nfs/dbraw/zinc/10/64/82/1076106482.db2.gz ZBMNUSFZUDPPIM-UHFFFAOYSA-N 0 3 314.349 2.229 20 30 DEEDHN C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(OC)c2)C1 ZINC001588335162 1076441845 /nfs/dbraw/zinc/44/18/45/1076441845.db2.gz AGTNJBJTJBAGTL-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)c(OC)c2)C1 ZINC001588335162 1076441849 /nfs/dbraw/zinc/44/18/49/1076441849.db2.gz AGTNJBJTJBAGTL-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001588335162 1076441852 /nfs/dbraw/zinc/44/18/52/1076441852.db2.gz AGTNJBJTJBAGTL-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001588335162 1076441856 /nfs/dbraw/zinc/44/18/56/1076441856.db2.gz AGTNJBJTJBAGTL-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc2c(c1)OCCCO2 ZINC001329459995 1148897497 /nfs/dbraw/zinc/89/74/97/1148897497.db2.gz NFSGUSPSSWNQOY-ZDUSSCGKSA-N 0 3 304.390 2.084 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001592699810 1076955356 /nfs/dbraw/zinc/95/53/56/1076955356.db2.gz NQNBJOXJQUAVEL-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001592699810 1076955360 /nfs/dbraw/zinc/95/53/60/1076955360.db2.gz NQNBJOXJQUAVEL-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001592699810 1076955364 /nfs/dbraw/zinc/95/53/64/1076955364.db2.gz NQNBJOXJQUAVEL-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001592699810 1076955368 /nfs/dbraw/zinc/95/53/68/1076955368.db2.gz NQNBJOXJQUAVEL-CQSZACIVSA-N 0 3 323.404 2.167 20 30 DEEDHN C=CC[N@@H+](CCOC)Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001609055607 1077751007 /nfs/dbraw/zinc/75/10/07/1077751007.db2.gz LKJXVOKWGRITAC-UHFFFAOYSA-N 0 3 307.785 2.155 20 30 DEEDHN C=CC[N@H+](CCOC)Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001609055607 1077751009 /nfs/dbraw/zinc/75/10/09/1077751009.db2.gz LKJXVOKWGRITAC-UHFFFAOYSA-N 0 3 307.785 2.155 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1[nH]cnc1C)c1ccccc1CC ZINC001484327888 1079543092 /nfs/dbraw/zinc/54/30/92/1079543092.db2.gz WVKLSJWPLLEURX-KRWDZBQOSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(CCO)CCNCc1ccsc1 ZINC001484489914 1079628166 /nfs/dbraw/zinc/62/81/66/1079628166.db2.gz IJUOXJAMQBCLDG-UHFFFAOYSA-N 0 3 310.463 2.261 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001484612646 1079680874 /nfs/dbraw/zinc/68/08/74/1079680874.db2.gz KNUXFWOVKBHHJO-OAHLLOKOSA-N 0 3 316.445 2.256 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001484689199 1079724165 /nfs/dbraw/zinc/72/41/65/1079724165.db2.gz UPOAWJVAVSKBMJ-LOWQCSRCSA-N 0 3 312.841 2.140 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](NC(=O)CC)CC1 ZINC001484703915 1079730043 /nfs/dbraw/zinc/73/00/43/1079730043.db2.gz LBBKVSNDSZBYJO-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1ncc(CN2CCC[C@H](NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001484709060 1079744826 /nfs/dbraw/zinc/74/48/26/1079744826.db2.gz AYCAROLGPCXNQS-AAEUAGOBSA-N 0 3 306.435 2.082 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)Cn1cncc1C)c1ccccc1 ZINC001481369078 1079761108 /nfs/dbraw/zinc/76/11/08/1079761108.db2.gz PLFAATLTKCRPRZ-QGZVFWFLSA-N 0 3 312.417 2.215 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001481395198 1079780002 /nfs/dbraw/zinc/78/00/02/1079780002.db2.gz CJGYHKNSKJQRIQ-MRXNPFEDSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCOCC(=O)N(CCC)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001481398722 1079785108 /nfs/dbraw/zinc/78/51/08/1079785108.db2.gz XSECCSQGFBBZOO-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C[C@@H](C)OC)C1 ZINC001481401836 1079787862 /nfs/dbraw/zinc/78/78/62/1079787862.db2.gz ZGTIAMPXBHHVFZ-HZPDHXFCSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@]2(CCN(CC#CC)C2)C1 ZINC001484822431 1079814420 /nfs/dbraw/zinc/81/44/20/1079814420.db2.gz AWPOIATUZGLPKC-IEBWSBKVSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001484824952 1079817395 /nfs/dbraw/zinc/81/73/95/1079817395.db2.gz YZYYTNOJIZDQBJ-GOSISDBHSA-N 0 3 324.428 2.071 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccncc2C)CCOCC1 ZINC001484863114 1079829404 /nfs/dbraw/zinc/82/94/04/1079829404.db2.gz YVHAEUPCSBDORL-UHFFFAOYSA-N 0 3 323.824 2.011 20 30 DEEDHN CCc1nocc1CNC1(CNC(=O)C#CC(C)C)CCCC1 ZINC001268036304 1079868299 /nfs/dbraw/zinc/86/82/99/1079868299.db2.gz QDMGFMXNBRIFGV-UHFFFAOYSA-N 0 3 317.433 2.415 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCN(C2CN(C[C@H](C)CC)C2)CC1 ZINC001484947280 1079873276 /nfs/dbraw/zinc/87/32/76/1079873276.db2.gz YCRNJJUAILQABL-MRXNPFEDSA-N 0 3 321.509 2.463 20 30 DEEDHN C#CCC1(O)CCN(Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC001653014424 1079909727 /nfs/dbraw/zinc/90/97/27/1079909727.db2.gz HWENDLCOUFRAJW-UHFFFAOYSA-N 0 3 314.360 2.430 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C)[C@H]2C)c1 ZINC001653438629 1079928329 /nfs/dbraw/zinc/92/83/29/1079928329.db2.gz VRMDNJUFWSCQLY-ZIAGYGMSSA-N 0 3 313.401 2.436 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001481480233 1079935457 /nfs/dbraw/zinc/93/54/57/1079935457.db2.gz SBGAYMGAMYQKCS-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnc2n1CCCCC2 ZINC001485061806 1079953098 /nfs/dbraw/zinc/95/30/98/1079953098.db2.gz CBBKPGDYKUFUNB-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2onc3c2CCCC3)C1 ZINC001485097350 1079979459 /nfs/dbraw/zinc/97/94/59/1079979459.db2.gz WUIZQMVFUIKELS-UHFFFAOYSA-N 0 3 323.824 2.404 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C=C1CCCCC1 ZINC001268056256 1079983630 /nfs/dbraw/zinc/98/36/30/1079983630.db2.gz VQDKUQGNOGBATB-CABCVRRESA-N 0 3 321.465 2.004 20 30 DEEDHN CCCCOCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001485131697 1079990373 /nfs/dbraw/zinc/99/03/73/1079990373.db2.gz IBUIPAZBGDHVPV-SJORKVTESA-N 0 3 316.445 2.338 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)Cc1ccoc1 ZINC001485138969 1080024949 /nfs/dbraw/zinc/02/49/49/1080024949.db2.gz SFMSDWMSHUEKLY-NEPJUHHUSA-N 0 3 317.414 2.438 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001268079627 1080032114 /nfs/dbraw/zinc/03/21/14/1080032114.db2.gz CXJXIDWIWVPWPU-CQSZACIVSA-N 0 3 319.453 2.058 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1OC ZINC001656088708 1080040062 /nfs/dbraw/zinc/04/00/62/1080040062.db2.gz NQEJRPIGBJBVPA-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001656337300 1080079415 /nfs/dbraw/zinc/07/94/15/1080079415.db2.gz DVLJSVXPGHKRNN-QWHCGFSZSA-N 0 3 308.451 2.269 20 30 DEEDHN C=CCOCC(=O)N(C)C1CCC(NCc2conc2C)CC1 ZINC001485237472 1080084302 /nfs/dbraw/zinc/08/43/02/1080084302.db2.gz RCXWJWSBSMZOKB-UHFFFAOYSA-N 0 3 321.421 2.045 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)COC(C)C)C2)CC1 ZINC001656393426 1080084807 /nfs/dbraw/zinc/08/48/07/1080084807.db2.gz GTYXMFGBPMGWKR-INIZCTEOSA-N 0 3 306.450 2.138 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CCCCO1)N(C)Cc1ccc(C#N)cc1 ZINC001485295380 1080125340 /nfs/dbraw/zinc/12/53/40/1080125340.db2.gz TWRNCANMWIDDTL-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC001656871026 1080131279 /nfs/dbraw/zinc/13/12/79/1080131279.db2.gz ILTMWWRIWXBIGL-QGZVFWFLSA-N 0 3 316.445 2.139 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCCCN(C(=O)CC(C)(C)C)C1 ZINC001656881577 1080132826 /nfs/dbraw/zinc/13/28/26/1080132826.db2.gz SSHPCDNHUKUFBS-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCCC[C@H](NCC(=O)N(C)C)C1 ZINC001656898500 1080135934 /nfs/dbraw/zinc/13/59/34/1080135934.db2.gz DAPZYGIKJKDVKT-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001657076150 1080152213 /nfs/dbraw/zinc/15/22/13/1080152213.db2.gz PCGMNCDUHZOMNY-HOTGVXAUSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001485367557 1080172161 /nfs/dbraw/zinc/17/21/61/1080172161.db2.gz BCDBSJHDCUSULB-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN COC[C@H](C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001268204159 1080190425 /nfs/dbraw/zinc/19/04/25/1080190425.db2.gz GOAVNPXEIDPVHE-FUHWJXTLSA-N 0 3 316.445 2.051 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CCCCCF)C2)cn1 ZINC001268228917 1080211295 /nfs/dbraw/zinc/21/12/95/1080211295.db2.gz LVFLXVGMJJLJEX-KRWDZBQOSA-N 0 3 317.408 2.397 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CCCC)CNCC(=O)N(C)C)CC1 ZINC001485467878 1080224436 /nfs/dbraw/zinc/22/44/36/1080224436.db2.gz DOBJVWAKAIDSRU-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC001268244070 1080227479 /nfs/dbraw/zinc/22/74/79/1080227479.db2.gz WSOWRGUWHWTLMG-UHFFFAOYSA-N 0 3 306.435 2.133 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001268245636 1080228547 /nfs/dbraw/zinc/22/85/47/1080228547.db2.gz RPUZYJRNJJZMJU-UHFFFAOYSA-N 0 3 301.390 2.366 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)COc1c(C)cc(C)cc1C ZINC001268255796 1080235657 /nfs/dbraw/zinc/23/56/57/1080235657.db2.gz FWRPXRCLDWARGK-UHFFFAOYSA-N 0 3 316.445 2.404 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001659538865 1080243494 /nfs/dbraw/zinc/24/34/94/1080243494.db2.gz XRENUMJXHKJPAH-MRXNPFEDSA-N 0 3 313.376 2.191 20 30 DEEDHN COCC#CCN(Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC001659680497 1080246291 /nfs/dbraw/zinc/24/62/91/1080246291.db2.gz OAXGTNYAPFKXRW-INIZCTEOSA-N 0 3 305.418 2.308 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C1CN(Cc2cccc(CC)c2)C1 ZINC001485498514 1080257430 /nfs/dbraw/zinc/25/74/30/1080257430.db2.gz VDFLSKQRKBPCRH-HNNXBMFYSA-N 0 3 316.445 2.388 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)CCOC(C)C)cc1 ZINC001329500293 1148902141 /nfs/dbraw/zinc/90/21/41/1148902141.db2.gz GTENONZMEZLMKF-OAHLLOKOSA-N 0 3 302.418 2.143 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CC1 ZINC001481672553 1080283845 /nfs/dbraw/zinc/28/38/45/1080283845.db2.gz WKFOODCFEHQBFZ-ULQDDVLXSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001485538806 1080285937 /nfs/dbraw/zinc/28/59/37/1080285937.db2.gz HVDMARHRKQWHLM-CRAIPNDOSA-N 0 3 314.429 2.224 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001660216249 1080287652 /nfs/dbraw/zinc/28/76/52/1080287652.db2.gz LJLRAKCQRSNSNA-UHFFFAOYSA-N 0 3 310.401 2.152 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@]2(C1)CN(CC1CCC1)CCO2 ZINC001485556285 1080294597 /nfs/dbraw/zinc/29/45/97/1080294597.db2.gz KPTFDPHRPFAKOI-SFHVURJKSA-N 0 3 306.450 2.446 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C1(c2cccnc2)CCCC1 ZINC001660282694 1080300198 /nfs/dbraw/zinc/30/01/98/1080300198.db2.gz NUIYIJZTOWPZLU-UHFFFAOYSA-N 0 3 313.445 2.355 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001485602278 1080323906 /nfs/dbraw/zinc/32/39/06/1080323906.db2.gz CJQYYWPGOWLDNF-ZQDZILKHSA-N 0 3 310.388 2.129 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCC[C@H](C)O)C2)CCCC1 ZINC001481710347 1080343412 /nfs/dbraw/zinc/34/34/12/1080343412.db2.gz AQSNOYITEGIBPO-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCNCc1cc2n(n1)CCCC2 ZINC001268347663 1080353891 /nfs/dbraw/zinc/35/38/91/1080353891.db2.gz CUISPXDMTVGDHX-AWEZNQCLSA-N 0 3 304.438 2.170 20 30 DEEDHN CCc1nc(C)c(CNC[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)o1 ZINC001485682173 1080365041 /nfs/dbraw/zinc/36/50/41/1080365041.db2.gz ADAUPFWDQGXMAQ-SHTZXODSSA-N 0 3 317.433 2.189 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC001485684721 1080367698 /nfs/dbraw/zinc/36/76/98/1080367698.db2.gz QPSSSHOPSQZRNQ-HDJSIYSDSA-N 0 3 324.856 2.390 20 30 DEEDHN C#CCN(CCCNC(=O)C(C)(C)c1c(C)noc1C)C1CC1 ZINC001660716380 1080384733 /nfs/dbraw/zinc/38/47/33/1080384733.db2.gz UDMBXQQPSSQOKD-UHFFFAOYSA-N 0 3 317.433 2.173 20 30 DEEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)CC(C)(C)O ZINC001485720180 1080389422 /nfs/dbraw/zinc/38/94/22/1080389422.db2.gz OVYQMWZTRFZAHZ-AWEZNQCLSA-N 0 3 317.433 2.094 20 30 DEEDHN COc1cccc(CNCCC[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001485721647 1080391065 /nfs/dbraw/zinc/39/10/65/1080391065.db2.gz SQCQIBGEOZXSJY-OAHLLOKOSA-N 0 3 317.433 2.124 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001481732049 1080401439 /nfs/dbraw/zinc/40/14/39/1080401439.db2.gz FUTIGUHCDMECEH-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001660938787 1080416707 /nfs/dbraw/zinc/41/67/07/1080416707.db2.gz IHEBYKJVNOGWFZ-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN C[C@H](C#N)C(=O)NCCOCCN(C)Cc1cccc(Cl)c1 ZINC001485771124 1080424751 /nfs/dbraw/zinc/42/47/51/1080424751.db2.gz VJWDLXPHQQNQGF-CYBMUJFWSA-N 0 3 323.824 2.064 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001661034384 1080432034 /nfs/dbraw/zinc/43/20/34/1080432034.db2.gz DXDBCDLQVHCHFK-MSOLQXFVSA-N 0 3 315.461 2.446 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2c(C)noc2Cl)C1 ZINC001661049284 1080433325 /nfs/dbraw/zinc/43/33/25/1080433325.db2.gz DTMURPMHEPELEH-LBPRGKRZSA-N 0 3 311.813 2.336 20 30 DEEDHN O=C(/C=C/c1ccc[nH]1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001661589616 1080497311 /nfs/dbraw/zinc/49/73/11/1080497311.db2.gz SZIIWVODYXKKTO-WAGRNVLXSA-N 0 3 319.408 2.316 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1c(C)n[nH]c1C ZINC001661891323 1080541201 /nfs/dbraw/zinc/54/12/01/1080541201.db2.gz XBUSZPJRNQVPNX-OAHLLOKOSA-N 0 3 304.438 2.116 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2cccc(OC)c2)C1 ZINC001662012196 1080561462 /nfs/dbraw/zinc/56/14/62/1080561462.db2.gz RVLOKIMNASTXGX-WBVHZDCISA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(CCOC)CCCC2)C1 ZINC001662017646 1080561577 /nfs/dbraw/zinc/56/15/77/1080561577.db2.gz BQWRUFBQWGDHAF-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CCOC)CCCC2)C1 ZINC001662017651 1080561677 /nfs/dbraw/zinc/56/16/77/1080561677.db2.gz BQWRUFBQWGDHAF-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3cnco3)C2)C1=O ZINC001272741752 1080565805 /nfs/dbraw/zinc/56/58/05/1080565805.db2.gz GNQRRWZXPCWUIX-SFHVURJKSA-N 0 3 309.369 2.351 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)NCC(=O)NC1CCCCCCC1 ZINC001662180082 1080578716 /nfs/dbraw/zinc/57/87/16/1080578716.db2.gz OCOFQHMMJJDCFA-HNNXBMFYSA-N 0 3 323.481 2.276 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001662207980 1080583935 /nfs/dbraw/zinc/58/39/35/1080583935.db2.gz TZMUHNVHHUYJIH-YGRLFVJLSA-N 0 3 316.854 2.323 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001662283086 1080591141 /nfs/dbraw/zinc/59/11/41/1080591141.db2.gz OVMJEUBJCQROCE-DOMZBBRYSA-N 0 3 304.821 2.487 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1ncc(Cl)cc1Cl ZINC001268486566 1080612920 /nfs/dbraw/zinc/61/29/20/1080612920.db2.gz DULDWVIDQPUBKC-UHFFFAOYSA-N 0 3 300.189 2.073 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001662525546 1080613491 /nfs/dbraw/zinc/61/34/91/1080613491.db2.gz AIKIEXNIIZBIMD-AWEZNQCLSA-N 0 3 311.385 2.004 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 ZINC001662872810 1080670997 /nfs/dbraw/zinc/67/09/97/1080670997.db2.gz SYNYYBURJKXLME-INIZCTEOSA-N 0 3 317.433 2.170 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ccc(OC)nn1 ZINC001662959126 1080679740 /nfs/dbraw/zinc/67/97/40/1080679740.db2.gz CHLIDWFVLWEURM-ZDUSSCGKSA-N 0 3 320.437 2.072 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2ocnc2C)CC1 ZINC001482014607 1080688668 /nfs/dbraw/zinc/68/86/68/1080688668.db2.gz MFYJJIFYJFERPX-SHTZXODSSA-N 0 3 303.406 2.304 20 30 DEEDHN C=CCCC(=O)NC/C=C/CNCc1cccc2c1CCOC2 ZINC001268521969 1080712833 /nfs/dbraw/zinc/71/28/33/1080712833.db2.gz GRGAXPRNYNTGGP-SNAWJCMRSA-N 0 3 314.429 2.488 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCCC[C@@H]1n1cccn1 ZINC001663200674 1080718448 /nfs/dbraw/zinc/71/84/48/1080718448.db2.gz CLKGLKQVGANQTP-HOTGVXAUSA-N 0 3 304.438 2.239 20 30 DEEDHN N#Cc1ccc(C(=O)NC/C=C/CNCc2cccc(F)c2)[nH]1 ZINC001268530032 1080723141 /nfs/dbraw/zinc/72/31/41/1080723141.db2.gz WWVGGEQQCIFYAE-OWOJBTEDSA-N 0 3 312.348 2.101 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cccc2c1OCC2(C)C ZINC001663346277 1080733302 /nfs/dbraw/zinc/73/33/02/1080733302.db2.gz LRHLFHZRESXLFL-UHFFFAOYSA-N 0 3 300.402 2.042 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001663663446 1080800277 /nfs/dbraw/zinc/80/02/77/1080800277.db2.gz CVZDKQGCAKKYKI-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c(C2CC2)cnn1C)C1CC1 ZINC001663727272 1080808916 /nfs/dbraw/zinc/80/89/16/1080808916.db2.gz LBNZIGLMZWWIOM-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCOCC(=O)N1CCC([C@@H](C)NCc2nccs2)CC1 ZINC001664430603 1080908453 /nfs/dbraw/zinc/90/84/53/1080908453.db2.gz JRBVACMBGYYKIU-CYBMUJFWSA-N 0 3 323.462 2.062 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)c1conc1C1CC1 ZINC001268662566 1080922460 /nfs/dbraw/zinc/92/24/60/1080922460.db2.gz PJBASGCXOPXPDT-CQSZACIVSA-N 0 3 323.396 2.312 20 30 DEEDHN COCCCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001268678995 1080929719 /nfs/dbraw/zinc/92/97/19/1080929719.db2.gz VSUCKLAUNARTPF-AWEZNQCLSA-N 0 3 322.836 2.212 20 30 DEEDHN CCCN(C(=O)CSCC#N)[C@@H]1CCN(CC[C@@H](C)F)C1 ZINC001664657511 1080937262 /nfs/dbraw/zinc/93/72/62/1080937262.db2.gz QXOQUIYZXKNMKT-ZIAGYGMSSA-N 0 3 315.458 2.304 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@H](C)n2ccnc2)C1 ZINC001664683435 1080940867 /nfs/dbraw/zinc/94/08/67/1080940867.db2.gz IPZOLLKULRWYKS-IRXDYDNUSA-N 0 3 316.449 2.170 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001268709361 1080946093 /nfs/dbraw/zinc/94/60/93/1080946093.db2.gz SRWPBZRPWKFXHQ-DOPJRALCSA-N 0 3 314.404 2.318 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)C2=CCCCCC2)C1 ZINC001664713167 1080948087 /nfs/dbraw/zinc/94/80/87/1080948087.db2.gz VUAJQAXLVCGDKG-QGZVFWFLSA-N 0 3 318.461 2.355 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1ccc2c(c1)COC2 ZINC001268729083 1080957338 /nfs/dbraw/zinc/95/73/38/1080957338.db2.gz LPYNPSBJDYIEQT-OAHLLOKOSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc(NC(=O)CC)c1 ZINC001268732923 1080958378 /nfs/dbraw/zinc/95/83/78/1080958378.db2.gz QTFAGKOXLIWBMT-ZDUSSCGKSA-N 0 3 303.406 2.271 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001268736969 1080960498 /nfs/dbraw/zinc/96/04/98/1080960498.db2.gz HTMXQEZRGBJWSP-JSGCOSHPSA-N 0 3 306.381 2.314 20 30 DEEDHN C=CCC[C@@H](C)N1CC(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001665234868 1081003356 /nfs/dbraw/zinc/00/33/56/1081003356.db2.gz IBPPOVAXQPAQHQ-CYBMUJFWSA-N 0 3 312.417 2.261 20 30 DEEDHN Cc1ccc(CCCN2CC(CNC(=O)C#CC3CC3)C2)cc1 ZINC001665279064 1081008862 /nfs/dbraw/zinc/00/88/62/1081008862.db2.gz LFWDXBANQIATMA-UHFFFAOYSA-N 0 3 310.441 2.389 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)[nH]c1=O ZINC001665405579 1081024608 /nfs/dbraw/zinc/02/46/08/1081024608.db2.gz LWENRSMHROQZKL-GJZGRUSLSA-N 0 3 315.417 2.269 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001665539911 1081037505 /nfs/dbraw/zinc/03/75/05/1081037505.db2.gz NOVOOVDCBZSDCZ-IEBWSBKVSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001665545646 1081039649 /nfs/dbraw/zinc/03/96/49/1081039649.db2.gz IQZRLGCXQQYECP-HUUCEWRRSA-N 0 3 304.438 2.163 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CC2(C(F)(F)F)CC2)C1 ZINC001665638019 1081053512 /nfs/dbraw/zinc/05/35/12/1081053512.db2.gz ZZPJWCJBUJGVHR-LBPRGKRZSA-N 0 3 302.340 2.275 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nc1 ZINC001268955692 1081057965 /nfs/dbraw/zinc/05/79/65/1081057965.db2.gz JXRFCYUYHORBGE-KBMXLJTQSA-N 0 3 315.417 2.344 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccccc2OC)C1 ZINC001665681517 1081062954 /nfs/dbraw/zinc/06/29/54/1081062954.db2.gz IKROOOIRACJFRI-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCOC1 ZINC001268959720 1081063204 /nfs/dbraw/zinc/06/32/04/1081063204.db2.gz GGCWPQNDMVHVLO-BZSNNMDCSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001665681984 1081063435 /nfs/dbraw/zinc/06/34/35/1081063435.db2.gz RUEXYBQISNKCKX-INIZCTEOSA-N 0 3 320.408 2.104 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001269038533 1081094060 /nfs/dbraw/zinc/09/40/60/1081094060.db2.gz ADVZSTZXIDXIFU-HRCADAONSA-N 0 3 320.458 2.245 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001666497476 1081156253 /nfs/dbraw/zinc/15/62/53/1081156253.db2.gz LAECRGSAERKSSS-UVCVVPOWSA-N 0 3 324.852 2.092 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001269221681 1081172656 /nfs/dbraw/zinc/17/26/56/1081172656.db2.gz BGSBMBFDNHUWJG-OAHLLOKOSA-N 0 3 300.406 2.437 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2conc2C)CCCC1 ZINC001666755130 1081179217 /nfs/dbraw/zinc/17/92/17/1081179217.db2.gz JYUMBXLRUZKPQP-UHFFFAOYSA-N 0 3 303.406 2.305 20 30 DEEDHN C=CCS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000710998047 1081191160 /nfs/dbraw/zinc/19/11/60/1081191160.db2.gz FABREPWYMBJSIO-ZBFHGGJFSA-N 0 3 308.447 2.145 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccn(CC)c2C)C1 ZINC001269268307 1081191781 /nfs/dbraw/zinc/19/17/81/1081191781.db2.gz KRFPWMCVNVNQEC-MRXNPFEDSA-N 0 3 319.449 2.165 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1C ZINC001666982688 1081200206 /nfs/dbraw/zinc/20/02/06/1081200206.db2.gz KODRUFUUQGQJNQ-CQSZACIVSA-N 0 3 322.836 2.348 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)C[C@H]2CCCCO2)C1 ZINC001269318857 1081210845 /nfs/dbraw/zinc/21/08/45/1081210845.db2.gz RSIVMYZMUHIHGO-IAGOWNOFSA-N 0 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C=C[C@@](C)(O)CC(=O)NC/C=C/CNCc1ccc(F)c(F)c1 ZINC001668797691 1081398193 /nfs/dbraw/zinc/39/81/93/1081398193.db2.gz GLDOEADYSRJDQJ-LAQIPUCWSA-N 0 3 324.371 2.054 20 30 DEEDHN O=C(C#CC1CC1)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001668815322 1081401289 /nfs/dbraw/zinc/40/12/89/1081401289.db2.gz LWUNJIJPVIELNH-KROLTMCQSA-N 0 3 312.388 2.488 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccn(C)n2)C[C@@H]1C ZINC001269958061 1081409279 /nfs/dbraw/zinc/40/92/79/1081409279.db2.gz ACEKMVJASASSIR-GJZGRUSLSA-N 0 3 304.438 2.246 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001668934878 1081410738 /nfs/dbraw/zinc/41/07/38/1081410738.db2.gz BRXZGWNINIORKF-SZZPACECSA-N 0 3 306.356 2.354 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001669039099 1081421568 /nfs/dbraw/zinc/42/15/68/1081421568.db2.gz JQQNZHMKXWSDAD-LZNQSLFOSA-N 0 3 302.393 2.290 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c1[O-] ZINC001138625882 1081426101 /nfs/dbraw/zinc/42/61/01/1081426101.db2.gz 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/nfs/dbraw/zinc/48/91/10/1081489110.db2.gz IDCUCRNEMBLWOJ-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)Cc1ccoc1 ZINC001670072310 1081494419 /nfs/dbraw/zinc/49/44/19/1081494419.db2.gz WMLOPACVSGIMKB-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@H]1CCCN1C(=O)C(C)(C)C ZINC001270299497 1081496769 /nfs/dbraw/zinc/49/67/69/1081496769.db2.gz XMZCZBBIACZYFR-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H](C1)O2 ZINC001270500701 1081538464 /nfs/dbraw/zinc/53/84/64/1081538464.db2.gz BWMHCCBXOFNBRP-VVLHAWIVSA-N 0 3 321.465 2.274 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CNCc2cc(C)n(C)n2)CCC1 ZINC001270507462 1081539715 /nfs/dbraw/zinc/53/97/15/1081539715.db2.gz ODLCJJVCJQSPRP-AWEZNQCLSA-N 0 3 318.465 2.317 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(C)CCN([C@H](CC)C(N)=O)CC1 ZINC001671848826 1081542975 /nfs/dbraw/zinc/54/29/75/1081542975.db2.gz BSQWCCWOSJIFIA-HUUCEWRRSA-N 0 3 323.481 2.071 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001671893062 1081546991 /nfs/dbraw/zinc/54/69/91/1081546991.db2.gz YFTZEDIQKUOMKH-SOLBZPMBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001671901478 1081547286 /nfs/dbraw/zinc/54/72/86/1081547286.db2.gz OZBDOKXXIXFFFG-MAUKXSAKSA-N 0 3 317.433 2.253 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)COc2ccccc2)C1 ZINC001671913026 1081549873 /nfs/dbraw/zinc/54/98/73/1081549873.db2.gz WZIKGAYOBOHIRZ-GOSISDBHSA-N 0 3 302.418 2.470 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@]2(C)CCN(CCOC(C)C)C2)cc1 ZINC001270615702 1081563967 /nfs/dbraw/zinc/56/39/67/1081563967.db2.gz OSNGKOJGHMZWTH-IBGZPJMESA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1scc2c1OCCO2 ZINC001626751095 1081578785 /nfs/dbraw/zinc/57/87/85/1081578785.db2.gz SJVCJLSORHNDRH-UHFFFAOYSA-N 0 3 310.419 2.099 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CCF ZINC001672343569 1081587858 /nfs/dbraw/zinc/58/78/58/1081587858.db2.gz SOXOZKOUNBHLRW-JONQDZQNSA-N 0 3 312.429 2.296 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cc(C)no1 ZINC001672384192 1081590300 /nfs/dbraw/zinc/59/03/00/1081590300.db2.gz KNEPMMYFUQJXBC-UHFFFAOYSA-N 0 3 311.385 2.238 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2cc3n(n2)CCC3)C1 ZINC001672756094 1081623153 /nfs/dbraw/zinc/62/31/53/1081623153.db2.gz OLBPUENLKPMAEX-OAHLLOKOSA-N 0 3 316.449 2.124 20 30 DEEDHN C=CCN1CCc2c(CNC(=O)CCn3ccnc3)cccc2C1 ZINC001673079603 1081737045 /nfs/dbraw/zinc/73/70/45/1081737045.db2.gz HEJYJGPRFOWKGZ-UHFFFAOYSA-N 0 3 324.428 2.134 20 30 DEEDHN C=CCCC(=O)NCC1(NCc2ccnc(OC)c2)CCC1 ZINC001673152265 1081741414 /nfs/dbraw/zinc/74/14/14/1081741414.db2.gz SHRIXGQXPQMNTL-UHFFFAOYSA-N 0 3 303.406 2.185 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCCC3(CC3)C2)CCC1 ZINC001673168885 1081743669 /nfs/dbraw/zinc/74/36/69/1081743669.db2.gz XBEOACUBEUPYBH-MRXNPFEDSA-N 0 3 318.461 2.235 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001673181454 1081744731 /nfs/dbraw/zinc/74/47/31/1081744731.db2.gz BNTMIAJEGKHPOO-AWEZNQCLSA-N 0 3 315.408 2.455 20 30 DEEDHN CC[C@H]1CCC[C@H]1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001673206082 1081745894 /nfs/dbraw/zinc/74/58/94/1081745894.db2.gz MSGSBOZMLLBUHX-JKSUJKDBSA-N 0 3 306.450 2.091 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H](C)C2CCCCC2)CCO1 ZINC001673321227 1081755174 /nfs/dbraw/zinc/75/51/74/1081755174.db2.gz AKHDMUCQSFLMGD-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001673376846 1081763488 /nfs/dbraw/zinc/76/34/88/1081763488.db2.gz WLHBMHAGDXQZJF-GXTWGEPZSA-N 0 3 322.371 2.237 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)n1cnc2ccccc21 ZINC001673478522 1081773154 /nfs/dbraw/zinc/77/31/54/1081773154.db2.gz LAMASADXOQOPPW-HNNXBMFYSA-N 0 3 312.417 2.011 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](CO)(NCc2csc(C)c2)C1 ZINC001673660970 1081789948 /nfs/dbraw/zinc/78/99/48/1081789948.db2.gz YVGQZWMMTUKRCG-KRWDZBQOSA-N 0 3 322.474 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(O[C@@H](C)CC)n1 ZINC001673908365 1081811957 /nfs/dbraw/zinc/81/19/57/1081811957.db2.gz WFQYRUCWKGWQND-AWEZNQCLSA-N 0 3 318.421 2.336 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(O[C@H](C)CC)n1 ZINC001673908366 1081812046 /nfs/dbraw/zinc/81/20/46/1081812046.db2.gz WFQYRUCWKGWQND-CQSZACIVSA-N 0 3 318.421 2.336 20 30 DEEDHN C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1NCC#Cc1ccccc1 ZINC001673928030 1081813527 /nfs/dbraw/zinc/81/35/27/1081813527.db2.gz AATMGOVJMUMXAP-LPHOPBHVSA-N 0 3 321.424 2.045 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2cc(OC)no2)C(C)(C)C1 ZINC001674018090 1081826289 /nfs/dbraw/zinc/82/62/89/1081826289.db2.gz JGZIRFKAZKKCTN-AWEZNQCLSA-N 0 3 321.421 2.019 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)Oc2ccccn2)C(C)(C)C1 ZINC001674034212 1081829112 /nfs/dbraw/zinc/82/91/12/1081829112.db2.gz QMGAPQLBACFEGL-LSDHHAIUSA-N 0 3 317.433 2.252 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC001270932272 1081843340 /nfs/dbraw/zinc/84/33/40/1081843340.db2.gz 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ZINC001272808708 1084148930 /nfs/dbraw/zinc/14/89/30/1084148930.db2.gz BISGXWOZHJJRLM-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCCc1csc(C)n1 ZINC001277818828 1084161921 /nfs/dbraw/zinc/16/19/21/1084161921.db2.gz CZBYLSZTUOIITB-ZDUSSCGKSA-N 0 3 307.463 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001491236217 1084174612 /nfs/dbraw/zinc/17/46/12/1084174612.db2.gz IQLUYYWKRMGOHS-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001277870361 1084184629 /nfs/dbraw/zinc/18/46/29/1084184629.db2.gz DUSOQTYZUSLWQH-ZFWWWQNUSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001491279363 1084202863 /nfs/dbraw/zinc/20/28/63/1084202863.db2.gz DMOLYDKWQOEAAD-HOCLYGCPSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](C)OCc1ccccc1C ZINC001277893299 1084211805 /nfs/dbraw/zinc/21/18/05/1084211805.db2.gz IXIQMSHFXGBMKO-IAGOWNOFSA-N 0 3 316.445 2.360 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccnc(CC)n3)C2)C1=O ZINC001272816201 1084244521 /nfs/dbraw/zinc/24/45/21/1084244521.db2.gz DDGHAEAJUASZGT-GOSISDBHSA-N 0 3 314.433 2.040 20 30 DEEDHN C[C@H](CNC(=O)C(F)F)NCC#Cc1cccc(Cl)c1 ZINC001491375634 1084263739 /nfs/dbraw/zinc/26/37/39/1084263739.db2.gz NEHCILKINBETOV-SNVBAGLBSA-N 0 3 300.736 2.051 20 30 DEEDHN CC[C@@H](F)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277915615 1084268633 /nfs/dbraw/zinc/26/86/33/1084268633.db2.gz BKHVHGJTFKZYEM-DLBZAZTESA-N 0 3 302.393 2.367 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491437012 1084312286 /nfs/dbraw/zinc/31/22/86/1084312286.db2.gz GJEMDGOWMDTRCU-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2C[C@H]2C)CC2(CCOCC2)C1 ZINC001089949028 1084347875 /nfs/dbraw/zinc/34/78/75/1084347875.db2.gz BLYLSCZTMCTCPB-BZUAXINKSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccnc(C)n3)CC2)C1=O ZINC001272840615 1084365814 /nfs/dbraw/zinc/36/58/14/1084365814.db2.gz HDTFJLMOSBMGHF-SFHVURJKSA-N 0 3 314.433 2.176 20 30 DEEDHN N#CCCCN1CCCC2(CN(C(=O)CCc3ccc[nH]3)C2)C1 ZINC001277941313 1084412684 /nfs/dbraw/zinc/41/26/84/1084412684.db2.gz MDDXQWBQUUFYPG-UHFFFAOYSA-N 0 3 314.433 2.175 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccnc(Cl)c3)C2)C1=O ZINC001272878910 1084414014 /nfs/dbraw/zinc/41/40/14/1084414014.db2.gz LRRJBHCKGJSJGW-MRXNPFEDSA-N 0 3 305.809 2.345 20 30 DEEDHN N#CCCCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001277942045 1084414321 /nfs/dbraw/zinc/41/43/21/1084414321.db2.gz ZPZAOVBYPVAHNO-GJZGRUSLSA-N 0 3 303.431 2.270 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1c(C)ncn1C)CC2 ZINC001235540560 1084460437 /nfs/dbraw/zinc/46/04/37/1084460437.db2.gz BCYYHFFWFSUQES-GOSISDBHSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 ZINC001272907940 1084460513 /nfs/dbraw/zinc/46/05/13/1084460513.db2.gz NUDMHMHLFDPGFX-KRWDZBQOSA-N 0 3 309.413 2.463 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc[n-]c1=O ZINC001235653639 1084489213 /nfs/dbraw/zinc/48/92/13/1084489213.db2.gz SENOFYNIOPJPCH-AWEZNQCLSA-N 0 3 320.437 2.299 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc[n-]c1=O ZINC001235653639 1084489215 /nfs/dbraw/zinc/48/92/15/1084489215.db2.gz SENOFYNIOPJPCH-AWEZNQCLSA-N 0 3 320.437 2.299 20 30 DEEDHN CC(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC001078516240 1084711065 /nfs/dbraw/zinc/71/10/65/1084711065.db2.gz MJKURDGZXPOOJB-CVEARBPZSA-N 0 3 301.365 2.234 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)on2)C12CCC2 ZINC001078543197 1084743115 /nfs/dbraw/zinc/74/31/15/1084743115.db2.gz LLRZCHFXEWYVEV-STQMWFEESA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C12CCC2 ZINC001078573746 1084752494 /nfs/dbraw/zinc/75/24/94/1084752494.db2.gz NJTZUCMSJSSTAE-ZIAGYGMSSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C12CCC2 ZINC001078580373 1084754515 /nfs/dbraw/zinc/75/45/15/1084754515.db2.gz GHNMMFRIPIEXCW-QWHCGFSZSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccn(C)c2)C12CCC2 ZINC001078597182 1084763286 /nfs/dbraw/zinc/76/32/86/1084763286.db2.gz SGPPSDGSLMHOLP-UONOGXRCSA-N 0 3 307.825 2.408 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(Cc3ccc(C)s3)C2)OCC1=O ZINC001272936858 1084920565 /nfs/dbraw/zinc/92/05/65/1084920565.db2.gz UFMFQKSFPHNUJD-KRWDZBQOSA-N 0 3 320.458 2.436 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(C)cccc2C)[C@@H](O)C1 ZINC001083800528 1084922416 /nfs/dbraw/zinc/92/24/16/1084922416.db2.gz XZNQTNDGJPEXRE-CVEARBPZSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CO)NCc1ccc(F)cc1C ZINC001486000123 1085023456 /nfs/dbraw/zinc/02/34/56/1085023456.db2.gz LRSROMDLYSQODU-INIZCTEOSA-N 0 3 322.424 2.303 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@H]1CCc2ccccc21 ZINC001485999950 1085024147 /nfs/dbraw/zinc/02/41/47/1085024147.db2.gz IQNLFCSUTXSGHS-WBVHZDCISA-N 0 3 302.418 2.097 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2c[nH]c3ccccc23)C1=O ZINC001272940919 1085124019 /nfs/dbraw/zinc/12/40/19/1085124019.db2.gz VWFVKDJPBDIAHJ-IBGZPJMESA-N 0 3 307.397 2.368 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCO1 ZINC000960243473 1085160815 /nfs/dbraw/zinc/16/08/15/1085160815.db2.gz YLGJGISHMLXDKY-BRWVUGGUSA-N 0 3 300.402 2.113 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnns1 ZINC000960250560 1085163162 /nfs/dbraw/zinc/16/31/62/1085163162.db2.gz SNBRIVOISPADPY-UKRRQHHQSA-N 0 3 314.414 2.100 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)n1cccn1 ZINC000960252325 1085165279 /nfs/dbraw/zinc/16/52/79/1085165279.db2.gz KMYTVTFNOQEBOT-IAOVAPTHSA-N 0 3 310.401 2.002 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC(OCC)C1 ZINC000960263976 1085170923 /nfs/dbraw/zinc/17/09/23/1085170923.db2.gz FRMSDNJWNMYZRY-NANBGGJNSA-N 0 3 314.429 2.359 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cnc(C)o1 ZINC000960278009 1085179201 /nfs/dbraw/zinc/17/92/01/1085179201.db2.gz KWZDOSPVIMEUPG-SJLPKXTDSA-N 0 3 311.385 2.083 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)nn1CC ZINC000960307363 1085189670 /nfs/dbraw/zinc/18/96/70/1085189670.db2.gz NQPRFVKRYQWNHF-SJLPKXTDSA-N 0 3 324.428 2.383 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1sc(N(C)C)nc1C)C(C)C ZINC001486376409 1085248711 /nfs/dbraw/zinc/24/87/11/1085248711.db2.gz CMLLQQBQAIBEBS-UHFFFAOYSA-N 0 3 324.494 2.486 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@H](C)Cc1cnn(C)c1)C(C)C ZINC001486377808 1085253065 /nfs/dbraw/zinc/25/30/65/1085253065.db2.gz OEHMRGMEBAXYFU-MRXNPFEDSA-N 0 3 320.481 2.344 20 30 DEEDHN C#CCCN(C)CCN(C(=O)Cc1ccc(OC)cc1)C(C)C ZINC001486379541 1085256111 /nfs/dbraw/zinc/25/61/11/1085256111.db2.gz NRDLNDLTTRKVIX-UHFFFAOYSA-N 0 3 316.445 2.430 20 30 DEEDHN C#CCCCC(=O)N[C@@H](CNCc1cn(C)nc1C)C(C)(C)C ZINC001486394109 1085274476 /nfs/dbraw/zinc/27/44/76/1085274476.db2.gz CEDZZCNVKBHQDI-INIZCTEOSA-N 0 3 318.465 2.153 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001486439271 1085314934 /nfs/dbraw/zinc/31/49/34/1085314934.db2.gz QYJYEFQYHDLQKB-IAGOWNOFSA-N 0 3 320.477 2.455 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc2cc(F)ccc12 ZINC000960678060 1085411109 /nfs/dbraw/zinc/41/11/09/1085411109.db2.gz BODUGKXASUHNTG-VIKVFOODSA-N 0 3 300.333 2.418 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC000960697782 1085417143 /nfs/dbraw/zinc/41/71/43/1085417143.db2.gz KFOMSHSTGKWLQK-YYWXWVFPSA-N 0 3 302.422 2.009 20 30 DEEDHN C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122003 1085594162 /nfs/dbraw/zinc/59/41/62/1085594162.db2.gz JBFHPWLJXAROHR-HZPDHXFCSA-N 0 3 312.413 2.200 20 30 DEEDHN C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122003 1085594173 /nfs/dbraw/zinc/59/41/73/1085594173.db2.gz JBFHPWLJXAROHR-HZPDHXFCSA-N 0 3 312.413 2.200 20 30 DEEDHN C=CCN1CC[C@@H]([C@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000961138730 1085607695 /nfs/dbraw/zinc/60/76/95/1085607695.db2.gz ICOUKGCUOPCMCU-LSDHHAIUSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1c(C)n[nH]c1C)CC2 ZINC001272980039 1085769134 /nfs/dbraw/zinc/76/91/34/1085769134.db2.gz YMPYUXOXJIPWOM-MRXNPFEDSA-N 0 3 316.449 2.321 20 30 DEEDHN Cn1cccc1C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000961564464 1085789117 /nfs/dbraw/zinc/78/91/17/1085789117.db2.gz GZVWXCLZMDHKSB-UHFFFAOYSA-N 0 3 322.412 2.195 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1-n1cccc1 ZINC000961651702 1085812487 /nfs/dbraw/zinc/81/24/87/1085812487.db2.gz ABRJWYHFDIRCJU-VQFNDLOPSA-N 0 3 307.397 2.323 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2CCCc2ccc(C)o2)C1=O ZINC001273086610 1086161697 /nfs/dbraw/zinc/16/16/97/1086161697.db2.gz FUDFUCYPPWGFRO-GOSISDBHSA-N 0 3 300.402 2.221 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccnn2C2CCCC2)CCC1 ZINC001273091088 1086165359 /nfs/dbraw/zinc/16/53/59/1086165359.db2.gz PSROLQPAHSDODP-UHFFFAOYSA-N 0 3 314.433 2.264 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1cccc(F)c1 ZINC001273133384 1086320328 /nfs/dbraw/zinc/32/03/28/1086320328.db2.gz BOYMIDIOOSTGPG-IAGOWNOFSA-N 0 3 300.377 2.067 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128953816 1086480269 /nfs/dbraw/zinc/48/02/69/1086480269.db2.gz XFUNCKSKKTWEFL-OAGGEKHMSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CN(C)C(C)C)CC1 ZINC001078983810 1086541676 /nfs/dbraw/zinc/54/16/76/1086541676.db2.gz HMVJQQAESQZXOL-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001083865567 1086561794 /nfs/dbraw/zinc/56/17/94/1086561794.db2.gz MLXQDAJSWHYRHA-OCCSQVGLSA-N 0 3 323.462 2.008 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001062293400 1086833466 /nfs/dbraw/zinc/83/34/66/1086833466.db2.gz XTCXJXHMPVXOHC-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(-n3cccc3)ccn2)CCC1 ZINC001273179991 1087197159 /nfs/dbraw/zinc/19/71/59/1087197159.db2.gz NXFAIQLEWHUJGD-UHFFFAOYSA-N 0 3 322.412 2.138 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOCc1ccccc1 ZINC001114753578 1088429779 /nfs/dbraw/zinc/42/97/79/1088429779.db2.gz YIOFCEMKHWFCNT-DZFIZOCASA-N 0 3 314.429 2.216 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001079952555 1088511332 /nfs/dbraw/zinc/51/13/32/1088511332.db2.gz KKJFLBLEZBCIPB-HZPDHXFCSA-N 0 3 313.445 2.127 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001080002342 1088574605 /nfs/dbraw/zinc/57/46/05/1088574605.db2.gz YELWFUGWPQADNE-HUUCEWRRSA-N 0 3 312.417 2.269 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001080134873 1088645468 /nfs/dbraw/zinc/64/54/68/1088645468.db2.gz GEVJSKZAMAMOMA-MWLCHTKSSA-N 0 3 317.311 2.320 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001080385732 1088855767 /nfs/dbraw/zinc/85/57/67/1088855767.db2.gz IFPHNMJZOUYVMU-ZIAGYGMSSA-N 0 3 318.465 2.344 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C)cc2Cl)C1 ZINC000958416839 1088976352 /nfs/dbraw/zinc/97/63/52/1088976352.db2.gz CICNQFAOSZQPNA-CJNGLKHVSA-N 0 3 322.836 2.247 20 30 DEEDHN 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/nfs/dbraw/zinc/06/69/31/1092066931.db2.gz XQTDLGWLRIAKIH-UHFFFAOYSA-N 0 3 304.434 2.056 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1occ2c1CCC2 ZINC001275888099 1092274983 /nfs/dbraw/zinc/27/49/83/1092274983.db2.gz UHIHKORKENHODS-ZDUSSCGKSA-N 0 3 306.406 2.021 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001488298067 1092467322 /nfs/dbraw/zinc/46/73/22/1092467322.db2.gz GOCISRRWPCDMDE-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C2=COCCC2)cc1 ZINC001273899495 1092488721 /nfs/dbraw/zinc/48/87/21/1092488721.db2.gz FDILIADWYFJWHX-UPHRSURJSA-N 0 3 311.385 2.015 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001488640449 1092651489 /nfs/dbraw/zinc/65/14/89/1092651489.db2.gz HABHRGAXRKFBPV-ZDUSSCGKSA-N 0 3 307.394 2.186 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001488702743 1092721404 /nfs/dbraw/zinc/72/14/04/1092721404.db2.gz YLPZGGZZACBMEC-ZBFHGGJFSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2cnccn2)C1 ZINC001488848656 1092778835 /nfs/dbraw/zinc/77/88/35/1092778835.db2.gz GAGRXUHXVQHSRK-RBSFLKMASA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)COC(C)(C)C)C1 ZINC001488908129 1092810444 /nfs/dbraw/zinc/81/04/44/1092810444.db2.gz RBZYBMXTJOJQQX-QWHCGFSZSA-N 0 3 302.846 2.429 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)OCC(C)C)C2)CC1 ZINC001488974672 1092858670 /nfs/dbraw/zinc/85/86/70/1092858670.db2.gz SQJZUVPXFITFRA-IAGOWNOFSA-N 0 3 320.477 2.384 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)COCC3CC3)C(C)(C)[C@@H]21 ZINC001489080415 1092903954 /nfs/dbraw/zinc/90/39/54/1092903954.db2.gz FAPSGVUJSBRZFA-KBAYOESNSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001489264491 1092991619 /nfs/dbraw/zinc/99/16/19/1092991619.db2.gz LFOHEAOOUMPNLX-ZBFHGGJFSA-N 0 3 320.458 2.175 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H]1C ZINC001489305758 1093010882 /nfs/dbraw/zinc/01/08/82/1093010882.db2.gz LBOYOLWQJLQUQN-PBHICJAKSA-N 0 3 320.408 2.150 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCc1cn[nH]c1 ZINC001490301964 1093283844 /nfs/dbraw/zinc/28/38/44/1093283844.db2.gz FYRBKTHKPOBEOL-UKRRQHHQSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCCOCC ZINC001490805155 1093611871 /nfs/dbraw/zinc/61/18/71/1093611871.db2.gz KDHUDUOSXADBPS-ZACQAIPSSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3ccsc3C)C2)OCC1=O ZINC001274075725 1093791533 /nfs/dbraw/zinc/79/15/33/1093791533.db2.gz RRHMCYRLHHMALU-INIZCTEOSA-N 0 3 306.431 2.046 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC001691715318 1138211012 /nfs/dbraw/zinc/21/10/12/1138211012.db2.gz NWNPSGAXYNJVNN-ZBFHGGJFSA-N 0 3 319.449 2.362 20 30 DEEDHN CCOC(=O)c1cccc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001236647093 1138389177 /nfs/dbraw/zinc/38/91/77/1138389177.db2.gz INYJFQNERTXYEQ-CQSZACIVSA-N 0 3 318.398 2.032 20 30 DEEDHN CCOc1ncc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001236693166 1138395076 /nfs/dbraw/zinc/39/50/76/1138395076.db2.gz SRTUWIGARFZUKK-ZDUSSCGKSA-N 0 3 308.378 2.394 20 30 DEEDHN CCOC(=O)c1csc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001237343774 1138586498 /nfs/dbraw/zinc/58/64/98/1138586498.db2.gz VVWJPSVNEFRSNL-NSHDSACASA-N 0 3 324.427 2.094 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001278099656 1138634365 /nfs/dbraw/zinc/63/43/65/1138634365.db2.gz NDTZJCNWBPIVFS-MRXNPFEDSA-N 0 3 304.434 2.241 20 30 DEEDHN C#CCN(C(=O)c1ccoc1C)C1CCN(CCOCC)CC1 ZINC001278114986 1138683672 /nfs/dbraw/zinc/68/36/72/1138683672.db2.gz DUNRPRHCMHDQBS-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN C#CCN(C(=O)c1csnn1)C1CCN(CC=C(C)C)CC1 ZINC001278170130 1138812825 /nfs/dbraw/zinc/81/28/25/1138812825.db2.gz YZUZQLJDBWVXID-UHFFFAOYSA-N 0 3 318.446 2.044 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)c1cc2cc(C)ccc2s1 ZINC001278179858 1138818185 /nfs/dbraw/zinc/81/81/85/1138818185.db2.gz VRYVUSHHBFLZJF-CYBMUJFWSA-N 0 3 304.415 2.076 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@@H]1C ZINC001278251693 1138857500 /nfs/dbraw/zinc/85/75/00/1138857500.db2.gz PVRMMCXAHDVAIE-DZGCQCFKSA-N 0 3 305.447 2.334 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2ccn(CC)n2)C1 ZINC001316651651 1138860144 /nfs/dbraw/zinc/86/01/44/1138860144.db2.gz JVKYVPNNLQKPGG-LSDHHAIUSA-N 0 3 304.438 2.244 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](NCc2cncn2C)[C@H]1C ZINC001278264710 1138864994 /nfs/dbraw/zinc/86/49/94/1138864994.db2.gz SRPYCBCEPNTRHH-RHSMWYFYSA-N 0 3 316.449 2.268 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001293649315 1139013535 /nfs/dbraw/zinc/01/35/35/1139013535.db2.gz CDIPSOGYKBOADA-YYRKOSNBSA-N 0 3 318.392 2.208 20 30 DEEDHN CCCCCCCCNC(=S)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001239367406 1139029284 /nfs/dbraw/zinc/02/92/84/1139029284.db2.gz RRLKETLVQCNPSP-SOUVJXGZSA-N 0 3 313.511 2.330 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCCNC(=O)CN(C)C(C)C)C1 ZINC001294470029 1139187435 /nfs/dbraw/zinc/18/74/35/1139187435.db2.gz FCTODQVMFGCZQN-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN COc1cnc(-c2cccc(CN3CCN(C)CC3)c2)c(C#N)c1 ZINC001240284379 1139318813 /nfs/dbraw/zinc/31/88/13/1139318813.db2.gz ZCIVNTKCEILICE-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN N#Cc1cc(-c2cccc(-c3nnn[n-]3)c2)cc(C2C[NH2+]C2)c1 ZINC001240356953 1139346677 /nfs/dbraw/zinc/34/66/77/1139346677.db2.gz YKIKYOKTWSZRRR-UHFFFAOYSA-N 0 3 302.341 2.092 20 30 DEEDHN N#Cc1cc(-c2cccc(-c3nn[n-]n3)c2)cc(C2C[NH2+]C2)c1 ZINC001240356953 1139346688 /nfs/dbraw/zinc/34/66/88/1139346688.db2.gz YKIKYOKTWSZRRR-UHFFFAOYSA-N 0 3 302.341 2.092 20 30 DEEDHN Cc1nnc(-c2ccc(CN3CCN(C)CC3)cc2)c(C#N)c1C ZINC001240389419 1139355682 /nfs/dbraw/zinc/35/56/82/1139355682.db2.gz CEUYPSQUIQPVMU-UHFFFAOYSA-N 0 3 321.428 2.380 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4ncncc4C#N)cc3)CC2)CC1 ZINC001240572930 1139433232 /nfs/dbraw/zinc/43/32/32/1139433232.db2.gz MQJFLSYJLVPRGE-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001295791740 1139566898 /nfs/dbraw/zinc/56/68/98/1139566898.db2.gz KBELEVFPNCQOBS-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1cc(CN2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)oc1C ZINC001278320150 1139618024 /nfs/dbraw/zinc/61/80/24/1139618024.db2.gz ZZCMJDWGTKPOCD-RDTXWAMCSA-N 0 3 313.401 2.281 20 30 DEEDHN Cc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)n(C)n1 ZINC001240857620 1139660128 /nfs/dbraw/zinc/66/01/28/1139660128.db2.gz JHFLGHIBYZYXRC-NSHDSACASA-N 0 3 313.361 2.134 20 30 DEEDHN C=CCCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001297919873 1139898927 /nfs/dbraw/zinc/89/89/27/1139898927.db2.gz BBVZUFSHSNNYAO-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491584506 1140177596 /nfs/dbraw/zinc/17/75/96/1140177596.db2.gz HMXHPXKRABIWKX-NJZAAPMLSA-N 0 3 303.381 2.338 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cc(-c2ccccc2)ccn1 ZINC001491617854 1140206263 /nfs/dbraw/zinc/20/62/63/1140206263.db2.gz KXSAVLJWTWQJKD-OAHLLOKOSA-N 0 3 307.397 2.480 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccco1)NCc1ccc(F)c(C#N)c1 ZINC001491617757 1140207468 /nfs/dbraw/zinc/20/74/68/1140207468.db2.gz JRLPLUIUVSQZRS-GFCCVEGCSA-N 0 3 315.348 2.127 20 30 DEEDHN C[C@@H](CNC(=O)CC#Cc1ccccc1)NCc1cccnc1 ZINC001491687847 1140251341 /nfs/dbraw/zinc/25/13/41/1140251341.db2.gz SHAQJHVXLVJEMU-INIZCTEOSA-N 0 3 307.397 2.118 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001491752244 1140296495 /nfs/dbraw/zinc/29/64/95/1140296495.db2.gz YIHQGSBLWKMTCJ-HOCLYGCPSA-N 0 3 302.393 2.218 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001318424322 1140324566 /nfs/dbraw/zinc/32/45/66/1140324566.db2.gz IVXDCQLFDBKFGW-WMZOPIPTSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCc2nc(CC)no2)C1 ZINC001318445715 1140332144 /nfs/dbraw/zinc/33/21/44/1140332144.db2.gz PKJGSBMVCQQTRQ-AWEZNQCLSA-N 0 3 320.437 2.064 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001318446404 1140333511 /nfs/dbraw/zinc/33/35/11/1140333511.db2.gz VJLWZUBNXCRWKJ-QZTJIDSGSA-N 0 3 315.461 2.398 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001318478784 1140344553 /nfs/dbraw/zinc/34/45/53/1140344553.db2.gz MWQLZZWWOHDZEX-MRXNPFEDSA-N 0 3 317.433 2.219 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 ZINC001319006523 1140489706 /nfs/dbraw/zinc/48/97/06/1140489706.db2.gz OKAITSSUAWWKIT-UHFFFAOYSA-N 0 3 310.372 2.407 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)COc2ccc(C)cc2)cc1 ZINC001319006546 1140489948 /nfs/dbraw/zinc/48/99/48/1140489948.db2.gz PBXVNQCLUQXRIJ-UHFFFAOYSA-N 0 3 322.408 2.413 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H](C)N(C)C(=O)C#CC1CC1 ZINC001319455286 1140582307 /nfs/dbraw/zinc/58/23/07/1140582307.db2.gz QQXOFZRYVKYSFX-OAHLLOKOSA-N 0 3 314.429 2.354 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C1CCC2(CC2)CC1 ZINC001319500298 1140601007 /nfs/dbraw/zinc/60/10/07/1140601007.db2.gz YBTOSPHYHVNTOT-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1cn(C)nc1C ZINC001319514265 1140606328 /nfs/dbraw/zinc/60/63/28/1140606328.db2.gz JULPCAJJKHWBJO-UKRRQHHQSA-N 0 3 306.454 2.267 20 30 DEEDHN C=CCN1CC[C@H](NC[C@H](C)N(C)C(=O)C(C)(C)CCC)C1=O ZINC001319523414 1140608775 /nfs/dbraw/zinc/60/87/75/1140608775.db2.gz QRQNCGGLLYOOKH-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)[C@@H](C)CNC[C@@H](F)CC ZINC001319577771 1140619554 /nfs/dbraw/zinc/61/95/54/1140619554.db2.gz RSYNUMHXJDFAKI-YOEHRIQHSA-N 0 3 304.409 2.395 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)/C=C/c1ccco1 ZINC001319603966 1140623774 /nfs/dbraw/zinc/62/37/74/1140623774.db2.gz UKPFPKJCQLYIAG-ROJDOSBLSA-N 0 3 318.417 2.063 20 30 DEEDHN Cc1oncc1CNCC[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001319749864 1140703219 /nfs/dbraw/zinc/70/32/19/1140703219.db2.gz IENRIIIHNSZMHX-QGZVFWFLSA-N 0 3 315.417 2.257 20 30 DEEDHN N#Cc1ccc(CNCCN2C(=O)COc3ccccc32)s1 ZINC001319833497 1140754611 /nfs/dbraw/zinc/75/46/11/1140754611.db2.gz YCSQVYBGDMIBJT-UHFFFAOYSA-N 0 3 313.382 2.135 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C ZINC001319911724 1140802426 /nfs/dbraw/zinc/80/24/26/1140802426.db2.gz UNWVCCNZQOSMIS-SMDDNHRTSA-N 0 3 323.264 2.363 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001278434581 1140870454 /nfs/dbraw/zinc/87/04/54/1140870454.db2.gz RRKJFMCZVLNFOB-YJBOKZPZSA-N 0 3 320.433 2.475 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCNCc2cnc(C)o2)cc1 ZINC001320513338 1140873271 /nfs/dbraw/zinc/87/32/71/1140873271.db2.gz TUDQFDOYVQTCHU-ZDUSSCGKSA-N 0 3 311.385 2.263 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CCC(OC)CC1 ZINC001320530866 1140876175 /nfs/dbraw/zinc/87/61/75/1140876175.db2.gz SSRBWBHDQWVGJQ-HSBZDZAISA-N 0 3 302.846 2.429 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)C#CC(C)C ZINC001320724159 1140898789 /nfs/dbraw/zinc/89/87/89/1140898789.db2.gz GWUWMAUEGQSSOG-UHFFFAOYSA-N 0 3 315.392 2.295 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001278450648 1140922555 /nfs/dbraw/zinc/92/25/55/1140922555.db2.gz RQIOUVDFNSQXIV-SFHVURJKSA-N 0 3 312.417 2.262 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)CCCF ZINC001320816790 1140936264 /nfs/dbraw/zinc/93/62/64/1140936264.db2.gz BBDAHAPKYPMEGA-UHFFFAOYSA-N 0 3 309.360 2.385 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCc3ccsc3)CCC[C@@H]12 ZINC001278452784 1140955029 /nfs/dbraw/zinc/95/50/29/1140955029.db2.gz OCKKUANXRAQGAU-WBVHZDCISA-N 0 3 302.443 2.427 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1c[nH]cc1C ZINC001320921103 1140990694 /nfs/dbraw/zinc/99/06/94/1140990694.db2.gz MCCHTMYFMBPXDS-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cccc(OCCC)c1 ZINC001321081800 1141049831 /nfs/dbraw/zinc/04/98/31/1141049831.db2.gz CYDHUIGNFYJJAZ-SREVYHEPSA-N 0 3 300.402 2.374 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C1(c2cccc(OC)c2)CC1 ZINC001321270122 1141108952 /nfs/dbraw/zinc/10/89/52/1141108952.db2.gz HGDFETFSCOVCJO-AATRIKPKSA-N 0 3 312.413 2.012 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001321278107 1141116933 /nfs/dbraw/zinc/11/69/33/1141116933.db2.gz KXUXIULQZZOKSZ-SNAWJCMRSA-N 0 3 300.377 2.143 20 30 DEEDHN CCOCCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001321801066 1141346804 /nfs/dbraw/zinc/34/68/04/1141346804.db2.gz OVJJUOVMFUFGBS-AWEZNQCLSA-N 0 3 322.836 2.212 20 30 DEEDHN C=CC[C@H]1NC(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC001321941177 1141369002 /nfs/dbraw/zinc/36/90/02/1141369002.db2.gz KNZJWAXJJDHILP-MRXNPFEDSA-N 0 3 313.401 2.148 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](C)CNCc1cccnc1C ZINC001322060471 1141388498 /nfs/dbraw/zinc/38/84/98/1141388498.db2.gz SOOUHSRJLHMNNB-HNNXBMFYSA-N 0 3 321.424 2.208 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001322158583 1141420153 /nfs/dbraw/zinc/42/01/53/1141420153.db2.gz VNIOKQZTQXQMHN-KBPBESRZSA-N 0 3 322.836 2.315 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1CC ZINC001322158922 1141423083 /nfs/dbraw/zinc/42/30/83/1141423083.db2.gz WTHJPYZUMUECPV-HOTGVXAUSA-N 0 3 316.445 2.224 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)CCn1nc(C)cc1C ZINC001322169735 1141430902 /nfs/dbraw/zinc/43/09/02/1141430902.db2.gz RYRZOGXKNYVPKD-HNNXBMFYSA-N 0 3 306.454 2.293 20 30 DEEDHN C=CCCCNC(=S)Nc1cnccc1N1CCN(C)CC1 ZINC001247709019 1141441763 /nfs/dbraw/zinc/44/17/63/1141441763.db2.gz FHEDHWKJYJGIQS-UHFFFAOYSA-N 0 3 319.478 2.086 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001323245532 1141832084 /nfs/dbraw/zinc/83/20/84/1141832084.db2.gz GOSDJKVXMXXYEE-LLVKDONJSA-N 0 3 312.364 2.128 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001323273738 1141835103 /nfs/dbraw/zinc/83/51/03/1141835103.db2.gz SMHULVMZSYFFRL-MRXNPFEDSA-N 0 3 312.417 2.262 20 30 DEEDHN N#CCSCC(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001323394259 1141848959 /nfs/dbraw/zinc/84/89/59/1141848959.db2.gz RACKAUNNZNAZCW-UHFFFAOYSA-N 0 3 323.849 2.335 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001323434777 1141853181 /nfs/dbraw/zinc/85/31/81/1141853181.db2.gz FIYUOIPBDUXXEV-QGZVFWFLSA-N 0 3 302.418 2.061 20 30 DEEDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001249207323 1141860001 /nfs/dbraw/zinc/86/00/01/1141860001.db2.gz BOFWJPRLEVQAHY-CYBMUJFWSA-N 0 3 302.374 2.233 20 30 DEEDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001249207323 1141860002 /nfs/dbraw/zinc/86/00/02/1141860002.db2.gz BOFWJPRLEVQAHY-CYBMUJFWSA-N 0 3 302.374 2.233 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCn2nc(C)cc2C)[C@@H]1C ZINC001278515293 1141877272 /nfs/dbraw/zinc/87/72/72/1141877272.db2.gz FDMHIEAQMGBLGN-DLBZAZTESA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2ccc3c(c2)CCO3)CC1 ZINC001323720979 1141880301 /nfs/dbraw/zinc/88/03/01/1141880301.db2.gz UFOJTGCRZJRHQE-UHFFFAOYSA-N 0 3 314.429 2.321 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C=C2CCC2)CC1 ZINC001323746599 1141882918 /nfs/dbraw/zinc/88/29/18/1141882918.db2.gz QHCPLJMCMMHYDA-UHFFFAOYSA-N 0 3 304.434 2.059 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001323774886 1141885872 /nfs/dbraw/zinc/88/58/72/1141885872.db2.gz FVAQCDFGZYQLCK-ZACQAIPSSA-N 0 3 306.450 2.136 20 30 DEEDHN CC(=O)N1CCC[C@@H](N(C)Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249430592 1141888761 /nfs/dbraw/zinc/88/87/61/1141888761.db2.gz ZBQCAJNRKOBQKZ-QGZVFWFLSA-N 0 3 310.401 2.482 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)COCc2ccncc2)[C@H]1C ZINC001278526915 1142000180 /nfs/dbraw/zinc/00/01/80/1142000180.db2.gz OBAOTTUHYJKAJX-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCN(C(=O)C(=O)C(C)(C)C)C1CCN(CC[C@@H](C)F)CC1 ZINC001324376518 1142065902 /nfs/dbraw/zinc/06/59/02/1142065902.db2.gz FKZMNYLIHPWARD-CQSZACIVSA-N 0 3 324.440 2.276 20 30 DEEDHN C#CCN(C(=O)C1CC(OCC)C1)C1CCN(CC(=C)C)CC1 ZINC001324387383 1142068587 /nfs/dbraw/zinc/06/85/87/1142068587.db2.gz VGSRQGHJOMCQRC-UHFFFAOYSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)CSC)C2 ZINC001324550503 1142098242 /nfs/dbraw/zinc/09/82/42/1142098242.db2.gz UROVPYAHDOXUIB-DOTOQJQBSA-N 0 3 308.491 2.323 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C[C@H](CC)C(C)C)CC2)C1 ZINC001324561902 1142108778 /nfs/dbraw/zinc/10/87/78/1142108778.db2.gz YUZYXKKARDDQRC-ROUUACIJSA-N 0 3 321.509 2.463 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)COC2CCCCC2)CC1 ZINC001278615225 1142348469 /nfs/dbraw/zinc/34/84/69/1142348469.db2.gz FXKHJDCHUWIGDV-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCOC[C@H](O)CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC001251855302 1142523463 /nfs/dbraw/zinc/52/34/63/1142523463.db2.gz VOFZTTWPNYBZHA-OAHLLOKOSA-N 0 3 313.319 2.074 20 30 DEEDHN C#CCOC[C@@H](O)CN1CCC(c2ccc(F)cc2F)CC1 ZINC001251860450 1142526227 /nfs/dbraw/zinc/52/62/27/1142526227.db2.gz KVCSWMRKEJOWKI-HNNXBMFYSA-N 0 3 309.356 2.155 20 30 DEEDHN C#CCOC[C@H](O)CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001251894261 1142535197 /nfs/dbraw/zinc/53/51/97/1142535197.db2.gz RGNUPIXOGSIWIL-CQSZACIVSA-N 0 3 313.319 2.295 20 30 DEEDHN C=CCOC[C@H](O)CN1CCC(C(=O)c2ccccc2)CC1 ZINC001252454867 1142719336 /nfs/dbraw/zinc/71/93/36/1142719336.db2.gz VUTGGYHLUXHHJC-QGZVFWFLSA-N 0 3 303.402 2.145 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001337357892 1142735979 /nfs/dbraw/zinc/73/59/79/1142735979.db2.gz LWVCTFCBFUOYGY-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@](C)(O)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001252558958 1142764167 /nfs/dbraw/zinc/76/41/67/1142764167.db2.gz POGQAVQQSOUKOS-QGZVFWFLSA-N 0 3 322.836 2.425 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cncn1Cc1cccc(OC)c1 ZINC001252622663 1142795454 /nfs/dbraw/zinc/79/54/54/1142795454.db2.gz YKIJQLAQTTVQOD-QGZVFWFLSA-N 0 3 315.417 2.357 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC(Oc2ccccc2C#N)CC1 ZINC001252675743 1142806274 /nfs/dbraw/zinc/80/62/74/1142806274.db2.gz LVXFUNOXLFJONU-INIZCTEOSA-N 0 3 318.417 2.187 20 30 DEEDHN C=C[C@@H](O)CN1CC[C@H]2C[C@H](c3nc(C)c(C)s3)O[C@@H]2C1 ZINC001253578366 1142882004 /nfs/dbraw/zinc/88/20/04/1142882004.db2.gz ZXZSKNFDAMWSIN-GBJTYRQASA-N 0 3 308.447 2.459 20 30 DEEDHN C=C[C@@H](O)CN1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001253587008 1142883138 /nfs/dbraw/zinc/88/31/38/1142883138.db2.gz XJPMPVDPVMIJRM-GFCCVEGCSA-N 0 3 307.777 2.348 20 30 DEEDHN C[C@@](O)(CNCc1cccc(C#N)c1)C(=O)OCc1ccccc1 ZINC001253620773 1142885402 /nfs/dbraw/zinc/88/54/02/1142885402.db2.gz NOKUZCLCEAIBRL-LJQANCHMSA-N 0 3 324.380 2.142 20 30 DEEDHN C=CCOCc1ncn2c1CN(C[C@@H](O)C(C)(C)C)CCC2 ZINC001253726449 1142899393 /nfs/dbraw/zinc/89/93/93/1142899393.db2.gz PSBOWKTVLHEUCI-MRXNPFEDSA-N 0 3 307.438 2.198 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001278747867 1143002439 /nfs/dbraw/zinc/00/24/39/1143002439.db2.gz UFLREHMQDWSWGU-AWEZNQCLSA-N 0 3 310.388 2.439 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2CCN(C3CCCC3)CC2)n1C ZINC001339330841 1143012576 /nfs/dbraw/zinc/01/25/76/1143012576.db2.gz VWQDNEKGGOZCQX-HNNXBMFYSA-N 0 3 315.465 2.397 20 30 DEEDHN CCn1c(CCCC#N)nnc1N1CCN(C2CCCC2)CC1 ZINC001339513849 1143046934 /nfs/dbraw/zinc/04/69/34/1143046934.db2.gz DNIMCMXYWLIOFH-UHFFFAOYSA-N 0 3 316.453 2.209 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C#N)CC2)CC1=O ZINC001254244578 1143065580 /nfs/dbraw/zinc/06/55/80/1143065580.db2.gz FJVFAPBQZADCQV-CYBMUJFWSA-N 0 3 307.394 2.148 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@H]2OCCc3cn(CC4CC4)nc32)C1 ZINC001254636924 1143290584 /nfs/dbraw/zinc/29/05/84/1143290584.db2.gz OFUBOFCXGYBZGC-FVQBIDKESA-N 0 3 300.406 2.189 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001278800663 1143291251 /nfs/dbraw/zinc/29/12/51/1143291251.db2.gz PIDGBDUUBFQKCH-DYVFJYSZSA-N 0 3 322.836 2.183 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@H]2CC[C@H](C#N)C2)[C@H]2OCC[C@H]21 ZINC001254636036 1143292188 /nfs/dbraw/zinc/29/21/88/1143292188.db2.gz HLLRVEWGQGPSKV-BTFPBAQTSA-N 0 3 321.421 2.045 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccc(C(N)=O)cc3)CC2)C1 ZINC001254673839 1143308527 /nfs/dbraw/zinc/30/85/27/1143308527.db2.gz PZDWQGRDYZIQOM-DZGCQCFKSA-N 0 3 313.401 2.321 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1ccc(F)s1 ZINC001329628994 1148948046 /nfs/dbraw/zinc/94/80/46/1148948046.db2.gz WQHZZZJBMDJDJZ-LLVKDONJSA-N 0 3 300.399 2.140 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC001340401813 1143337692 /nfs/dbraw/zinc/33/76/92/1143337692.db2.gz VRDPLRIULKOBNW-LSDHHAIUSA-N 0 3 312.360 2.452 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C(CC(C)C)CC(C)C)C1 ZINC001278829070 1143371902 /nfs/dbraw/zinc/37/19/02/1143371902.db2.gz TYSOPJLOMPBBDM-GOSISDBHSA-N 0 3 310.482 2.434 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H](C)Cc1ccccc1Cl ZINC001254997740 1143381783 /nfs/dbraw/zinc/38/17/83/1143381783.db2.gz UMRQMJARBFOSKQ-LBPRGKRZSA-N 0 3 301.839 2.461 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(=O)NCC)sc1C ZINC001340772026 1143436125 /nfs/dbraw/zinc/43/61/25/1143436125.db2.gz YGHLLDXFVGGAGV-NSHDSACASA-N 0 3 309.435 2.428 20 30 DEEDHN CC[C@H](CC#N)NC[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255152037 1143447329 /nfs/dbraw/zinc/44/73/29/1143447329.db2.gz LTJKHVQNNUGGMP-UONOGXRCSA-N 0 3 323.437 2.294 20 30 DEEDHN CC[C@H](CC#N)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001255169591 1143463984 /nfs/dbraw/zinc/46/39/84/1143463984.db2.gz HQUFYCBVFWANIM-KZNAEPCWSA-N 0 3 314.433 2.049 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC001341041348 1143527424 /nfs/dbraw/zinc/52/74/24/1143527424.db2.gz JYWBXGVYJMDROG-JKSUJKDBSA-N 0 3 315.417 2.284 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC001341579523 1143633096 /nfs/dbraw/zinc/63/30/96/1143633096.db2.gz QIHMKIFESDFNJW-GRYCIOLGSA-N 0 3 308.344 2.238 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1CN1CCOCC1 ZINC001341658129 1143652206 /nfs/dbraw/zinc/65/22/06/1143652206.db2.gz FJPPQEYIQOZQIG-INIZCTEOSA-N 0 3 317.433 2.141 20 30 DEEDHN C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC001341942111 1143747466 /nfs/dbraw/zinc/74/74/66/1143747466.db2.gz FIHLGFNEBFFINA-BBRMVZONSA-N 0 3 303.406 2.241 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC001342036771 1143775375 /nfs/dbraw/zinc/77/53/75/1143775375.db2.gz SDLQKBVEYAPFMK-AOLWHUPESA-N 0 3 300.358 2.313 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H](C)CC#N ZINC001342259360 1143807007 /nfs/dbraw/zinc/80/70/07/1143807007.db2.gz LJMYXKDFQFNTGS-HUUCEWRRSA-N 0 3 316.453 2.402 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC001342318131 1143810781 /nfs/dbraw/zinc/81/07/81/1143810781.db2.gz IRLGTAZBFUREOQ-HNNXBMFYSA-N 0 3 321.469 2.345 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H]1CCn2cc(C)nc2C1)C(C)C ZINC001278912205 1143830100 /nfs/dbraw/zinc/83/01/00/1143830100.db2.gz LZSWDGSBHIDNDU-INIZCTEOSA-N 0 3 318.465 2.109 20 30 DEEDHN CCOC(=O)N1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001256232421 1143837930 /nfs/dbraw/zinc/83/79/30/1143837930.db2.gz STBRAIVJNUCCLM-UHFFFAOYSA-N 0 3 310.785 2.061 20 30 DEEDHN C=CCN(C)CCN(C(=O)CNC(=O)C1CCCCC1)C(C)C ZINC001278926176 1143840682 /nfs/dbraw/zinc/84/06/82/1143840682.db2.gz BVZBLLXIDBTKHB-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cnn(C)c1)C2 ZINC001278947568 1143855021 /nfs/dbraw/zinc/85/50/21/1143855021.db2.gz IRAQUBCPPOIAHY-UAGQMJEPSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCCCC(=O)N[C@H](CNCc1cnoc1C)C(C)(C)C ZINC001278957713 1143862212 /nfs/dbraw/zinc/86/22/12/1143862212.db2.gz ZUBHTOHWLBFVQH-OAHLLOKOSA-N 0 3 305.422 2.407 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CCCCOC)C2)CC1 ZINC001278964031 1143866892 /nfs/dbraw/zinc/86/68/92/1143866892.db2.gz KOJKMCUHWRKENO-GOSISDBHSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1n[nH]cc1F)c1ccccc1CC ZINC001278970349 1143871682 /nfs/dbraw/zinc/87/16/82/1143871682.db2.gz ZUPAKRSGZDVBMU-HNNXBMFYSA-N 0 3 316.380 2.358 20 30 DEEDHN COc1ccc(C(=NO)N[C@H]2CCCN(C3CCCC3)C2)nc1 ZINC001256902473 1143874038 /nfs/dbraw/zinc/87/40/38/1143874038.db2.gz VJNMWBAHNVVHPR-ZDUSSCGKSA-N 0 3 318.421 2.223 20 30 DEEDHN C=CCN1CCC[C@H](N[C@H]2COc3ccc(Cl)cc3C2)C1=O ZINC001257952278 1143961467 /nfs/dbraw/zinc/96/14/67/1143961467.db2.gz HMTLWNVJAQNVQC-CABCVRRESA-N 0 3 320.820 2.410 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)C2CC(C)(C)C2)CC1 ZINC001279079646 1143979702 /nfs/dbraw/zinc/97/97/02/1143979702.db2.gz QUFICRHKCPXAQK-OAHLLOKOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc4c3O[C@@H](C)C4)C2)C1 ZINC001258456916 1144006335 /nfs/dbraw/zinc/00/63/35/1144006335.db2.gz JDVCQRHJPLFJQE-AWEZNQCLSA-N 0 3 312.413 2.344 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)NC ZINC001263069947 1144353568 /nfs/dbraw/zinc/35/35/68/1144353568.db2.gz GUMNFLNKZUUFFK-GJZGRUSLSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001263158073 1144359045 /nfs/dbraw/zinc/35/90/45/1144359045.db2.gz QRCJKHRIDRMBLE-HZPDHXFCSA-N 0 3 306.381 2.409 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(F)c1 ZINC001263303026 1144367547 /nfs/dbraw/zinc/36/75/47/1144367547.db2.gz KDCDKTQRYXDGNQ-GFCCVEGCSA-N 0 3 324.327 2.359 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cn(CC)nc1C ZINC001263812089 1144398008 /nfs/dbraw/zinc/39/80/08/1144398008.db2.gz HAWNRFACEAWRIA-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2oc(CC)nc2C)C1 ZINC001263857353 1144413651 /nfs/dbraw/zinc/41/36/51/1144413651.db2.gz OYKXENIAKPZILN-HDJSIYSDSA-N 0 3 305.422 2.496 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001263863142 1144414882 /nfs/dbraw/zinc/41/48/82/1144414882.db2.gz HCSMBFVUBNHRKJ-MGPQQGTHSA-N 0 3 319.453 2.269 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccccc1 ZINC001264036892 1144445675 /nfs/dbraw/zinc/44/56/75/1144445675.db2.gz OJVSQQUQRCXCLV-CGTJXYLNSA-N 0 3 314.429 2.019 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@@H](NCc2cccc(Cl)n2)C1 ZINC001264391702 1144527352 /nfs/dbraw/zinc/52/73/52/1144527352.db2.gz ZQKBWYRYJQJJJS-OTVXOJSOSA-N 0 3 317.820 2.133 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)Cc2c(C)noc2C)CC1 ZINC001279104363 1144528547 /nfs/dbraw/zinc/52/85/47/1144528547.db2.gz BNCKEKGNUOGJSH-CYBMUJFWSA-N 0 3 317.433 2.074 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(C)=O ZINC001264540049 1144562257 /nfs/dbraw/zinc/56/22/57/1144562257.db2.gz MNCOHCGQRJJHSM-VYDXJSESSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001264634363 1144582895 /nfs/dbraw/zinc/58/28/95/1144582895.db2.gz NDPXTQFAVFMKNT-INIZCTEOSA-N 0 3 308.466 2.284 20 30 DEEDHN CCC(CC)CC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1 ZINC001264654157 1144585250 /nfs/dbraw/zinc/58/52/50/1144585250.db2.gz AWUOGNZSLWLOEA-MSOLQXFVSA-N 0 3 320.477 2.243 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](OC)C2CCCC2)CC(C)(C)C1 ZINC001264755480 1144607918 /nfs/dbraw/zinc/60/79/18/1144607918.db2.gz SKNTVCHCHLMSCD-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cc(C)cc(Cl)c1 ZINC001265012866 1144625268 /nfs/dbraw/zinc/62/52/68/1144625268.db2.gz SYFNWRYDYZUFAY-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C#CCN(CCCNC(=O)CC1(C(F)(F)F)CC1)C1CC1 ZINC001265164446 1144658496 /nfs/dbraw/zinc/65/84/96/1144658496.db2.gz ISACRVCFVZKAFR-UHFFFAOYSA-N 0 3 302.340 2.323 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001265197282 1144664724 /nfs/dbraw/zinc/66/47/24/1144664724.db2.gz KWWMZUWQJMSEQM-SFHVURJKSA-N 0 3 318.465 2.408 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001265213840 1144668305 /nfs/dbraw/zinc/66/83/05/1144668305.db2.gz ZOFCYRZYUYUYSJ-YOEHRIQHSA-N 0 3 322.474 2.198 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C[C@H]2C=CCC2)CC1 ZINC001265238975 1144675022 /nfs/dbraw/zinc/67/50/22/1144675022.db2.gz XOWYCKJJGWUBSU-KRWDZBQOSA-N 0 3 305.466 2.043 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001265261219 1144676691 /nfs/dbraw/zinc/67/66/91/1144676691.db2.gz DJCULAIOLQMKRX-OKZBNKHCSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@H](C)c2ccco2)C1 ZINC001265312297 1144690476 /nfs/dbraw/zinc/69/04/76/1144690476.db2.gz LGARAOHISQJLFL-LSDHHAIUSA-N 0 3 306.406 2.166 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001265319345 1144692395 /nfs/dbraw/zinc/69/23/95/1144692395.db2.gz LQKVLLNNIIRUDL-DGCLKSJQSA-N 0 3 321.446 2.006 20 30 DEEDHN Cc1nocc1C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001265368819 1144699065 /nfs/dbraw/zinc/69/90/65/1144699065.db2.gz YGSJBXFURMAQEH-GOSISDBHSA-N 0 3 323.396 2.133 20 30 DEEDHN C=CCCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001265521942 1144708783 /nfs/dbraw/zinc/70/87/83/1144708783.db2.gz ZCZNBVBQOJWKOW-KNBRWIRNSA-N 0 3 312.841 2.443 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001265540536 1144710377 /nfs/dbraw/zinc/71/03/77/1144710377.db2.gz VGJYXOUJKBLJDH-RWMBFGLXSA-N 0 3 313.405 2.163 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC001265584421 1144715007 /nfs/dbraw/zinc/71/50/07/1144715007.db2.gz MYLMRLIJMWNEFA-MRXNPFEDSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001265647505 1144722062 /nfs/dbraw/zinc/72/20/62/1144722062.db2.gz PFGWWVYGWUQSGM-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001265664562 1144724852 /nfs/dbraw/zinc/72/48/52/1144724852.db2.gz VRBXUCLSQATKAA-IYSULOHHSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2ccc(C)o2)C1 ZINC001265699413 1144730416 /nfs/dbraw/zinc/73/04/16/1144730416.db2.gz FAXHWWWBGLRSTQ-CVEARBPZSA-N 0 3 302.418 2.371 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)NCc1cc2ccccc2o1 ZINC001265774589 1144739872 /nfs/dbraw/zinc/73/98/72/1144739872.db2.gz HBXLLFYTYBJORB-AWEZNQCLSA-N 0 3 314.385 2.067 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)NCc2cncc(C)c2)cc1 ZINC001265806569 1144742626 /nfs/dbraw/zinc/74/26/26/1144742626.db2.gz IDYYRPFMDCVLFN-HNNXBMFYSA-N 0 3 307.397 2.279 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cc2ccccc2o1 ZINC001265966263 1144772163 /nfs/dbraw/zinc/77/21/63/1144772163.db2.gz MNMOTXFEXMJCKZ-UHFFFAOYSA-N 0 3 314.385 2.134 20 30 DEEDHN Cc1csc(CNC[C@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001265973098 1144773569 /nfs/dbraw/zinc/77/35/69/1144773569.db2.gz ICZVBDAWMNIGGC-CQSZACIVSA-N 0 3 305.447 2.049 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001266236277 1144817559 /nfs/dbraw/zinc/81/75/59/1144817559.db2.gz GGBZJHAVXLNOQX-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCC[C@H](C)O)C2)CCC1 ZINC001266237242 1144817604 /nfs/dbraw/zinc/81/76/04/1144817604.db2.gz RRWDMNSYUQUBMM-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(NCc2ccc(F)cn2)C1 ZINC001279217349 1144819356 /nfs/dbraw/zinc/81/93/56/1144819356.db2.gz XFCVFAWJDIRDJC-UHFFFAOYSA-N 0 3 317.408 2.493 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001279509215 1144823609 /nfs/dbraw/zinc/82/36/09/1144823609.db2.gz INZLVAJMRXDQFC-RHSMWYFYSA-N 0 3 322.474 2.371 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)nn2CC)cc1 ZINC001280354557 1144836266 /nfs/dbraw/zinc/83/62/66/1144836266.db2.gz QEHPFOIUZHMPHE-OAHLLOKOSA-N 0 3 324.428 2.425 20 30 DEEDHN CCCc1occc1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001280534079 1144844270 /nfs/dbraw/zinc/84/42/70/1144844270.db2.gz NQMVEAVENGJAKB-UHFFFAOYSA-N 0 3 318.417 2.124 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001280708642 1144850101 /nfs/dbraw/zinc/85/01/01/1144850101.db2.gz LRRJCOYFKJBQIM-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001280745991 1144852328 /nfs/dbraw/zinc/85/23/28/1144852328.db2.gz GTTGBONYJSIKII-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CC[C@@H]2CCCCO2)CC1 ZINC001280758766 1144853570 /nfs/dbraw/zinc/85/35/70/1144853570.db2.gz FDAMITUYGMBGEX-SJORKVTESA-N 0 3 306.450 2.330 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1cc(F)ccc1OC ZINC001280864502 1144860158 /nfs/dbraw/zinc/86/01/58/1144860158.db2.gz PTEMJPMUCWBMHB-UHFFFAOYSA-N 0 3 320.408 2.180 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cccn1 ZINC001281062128 1144870849 /nfs/dbraw/zinc/87/08/49/1144870849.db2.gz CXEMCZQETDEOLO-GOSISDBHSA-N 0 3 324.428 2.002 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001281163435 1144875241 /nfs/dbraw/zinc/87/52/41/1144875241.db2.gz OCKBKMMLWPFOQY-YJBOKZPZSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)CN(CC)CC)C1 ZINC001281419257 1144888362 /nfs/dbraw/zinc/88/83/62/1144888362.db2.gz WJWLNTXUZDIOGW-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)C(=O)CN1CCCC1 ZINC001281487303 1144892660 /nfs/dbraw/zinc/89/26/60/1144892660.db2.gz CWBWKHCXNCUIRN-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CCn2cccn2)CC1(C)C ZINC001281553938 1144896729 /nfs/dbraw/zinc/89/67/29/1144896729.db2.gz VHDBVEJORTUTDM-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](OCC)C2CC2)C(C)(C)C1 ZINC001281557178 1144897079 /nfs/dbraw/zinc/89/70/79/1144897079.db2.gz NUPIMJCOEKMWBK-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)n2cccn2)C(C)(C)C1 ZINC001281573073 1144898105 /nfs/dbraw/zinc/89/81/05/1144898105.db2.gz ZWWOUJDTCFXUJD-CABCVRRESA-N 0 3 304.438 2.237 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncoc1CC ZINC001281902221 1144919074 /nfs/dbraw/zinc/91/90/74/1144919074.db2.gz ZWFBJDLVJVMTPH-NVXWUHKLSA-N 0 3 323.396 2.246 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H]1Cc2ccccc2O1 ZINC001281939867 1144921493 /nfs/dbraw/zinc/92/14/93/1144921493.db2.gz MLRGABHPZJXMAQ-IAGOWNOFSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cccc(OC)n1 ZINC001282134922 1144996813 /nfs/dbraw/zinc/99/68/13/1144996813.db2.gz WNFWMPKCGRMSAY-KBPBESRZSA-N 0 3 305.422 2.429 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(C)n2)CCCC1 ZINC001282242323 1145021255 /nfs/dbraw/zinc/02/12/55/1145021255.db2.gz CXTNWUIHJMZMRP-QWHCGFSZSA-N 0 3 319.453 2.232 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2cc(F)ccc2C#N)CC1 ZINC001364136155 1145032427 /nfs/dbraw/zinc/03/24/27/1145032427.db2.gz UAYOGXRRJYLGQG-CQSZACIVSA-N 0 3 304.413 2.383 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001282667276 1145118722 /nfs/dbraw/zinc/11/87/22/1145118722.db2.gz XQTDXCYPYPASMT-QGZVFWFLSA-N 0 3 324.428 2.099 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCc2ccc(C)s2)C1 ZINC001282737934 1145156554 /nfs/dbraw/zinc/15/65/54/1145156554.db2.gz DARZAGTUPZTGGB-CQSZACIVSA-N 0 3 304.459 2.449 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CCn2cccn2)CC1(C)C ZINC001282811494 1145168855 /nfs/dbraw/zinc/16/88/55/1145168855.db2.gz OFKCVFNLONZFEG-OAHLLOKOSA-N 0 3 318.465 2.312 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001283013083 1145234351 /nfs/dbraw/zinc/23/43/51/1145234351.db2.gz HWFDGXKDIQOUTQ-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(N(C)CC(=O)NCCC)CC1 ZINC001283319869 1145359680 /nfs/dbraw/zinc/35/96/80/1145359680.db2.gz PKJKPHQGYWPOKW-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001283677334 1145578066 /nfs/dbraw/zinc/57/80/66/1145578066.db2.gz BCLNBRARWLXNIA-ZDUSSCGKSA-N 0 3 315.392 2.309 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001283706007 1145604814 /nfs/dbraw/zinc/60/48/14/1145604814.db2.gz RNVKAKNFGQVDKM-IAGOWNOFSA-N 0 3 316.445 2.267 20 30 DEEDHN C[C@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CSCC#N ZINC001283848697 1145664702 /nfs/dbraw/zinc/66/47/02/1145664702.db2.gz WZQPNJWRFFEHQX-SWLSCSKDSA-N 0 3 321.421 2.161 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cnc(C)nc2)C[C@@H]1C ZINC001283984962 1145737514 /nfs/dbraw/zinc/73/75/14/1145737514.db2.gz FVDAFWWKXRWGIV-BBRMVZONSA-N 0 3 302.422 2.220 20 30 DEEDHN Cc1cccnc1CN1CC[C@@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001284053849 1145775632 /nfs/dbraw/zinc/77/56/32/1145775632.db2.gz YFFJZIUVRPZPCY-QUCCMNQESA-N 0 3 323.440 2.417 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3cc(C)on3)CCC[C@@H]12 ZINC001284068962 1145783464 /nfs/dbraw/zinc/78/34/64/1145783464.db2.gz PPHLKGAZMSSHLK-AEFFLSMTSA-N 0 3 315.417 2.052 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001284516721 1145866283 /nfs/dbraw/zinc/86/62/83/1145866283.db2.gz NYDQIVBWICOWIW-QAPCUYQASA-N 0 3 318.461 2.290 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C#N)s1)[C@@H]1CCN(C)C1 ZINC001365408568 1145866610 /nfs/dbraw/zinc/86/66/10/1145866610.db2.gz NSZPZKFBSKDLKT-GFCCVEGCSA-N 0 3 306.435 2.245 20 30 DEEDHN C=CCOCC(=O)N[C@@H](CNCc1ncccc1C)C(C)(C)C ZINC001284577854 1145873576 /nfs/dbraw/zinc/87/35/76/1145873576.db2.gz OMDSLNNNEVFWJB-INIZCTEOSA-N 0 3 319.449 2.213 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)n2cccn2)CC1 ZINC001284726157 1145895836 /nfs/dbraw/zinc/89/58/36/1145895836.db2.gz RTRAEZIATNDQJW-CVEARBPZSA-N 0 3 316.449 2.074 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C(C)(C)C2CCOCC2)CC1 ZINC001284936079 1145983191 /nfs/dbraw/zinc/98/31/91/1145983191.db2.gz BMQQQVQNGIHGDB-UHFFFAOYSA-N 0 3 306.450 2.374 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)CCc2ccon2)c(F)c1 ZINC001285005324 1146007126 /nfs/dbraw/zinc/00/71/26/1146007126.db2.gz VUOASKIYBXIEMF-UHFFFAOYSA-N 0 3 317.364 2.338 20 30 DEEDHN C=CCCCC(=O)N(CC)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001285022706 1146010648 /nfs/dbraw/zinc/01/06/48/1146010648.db2.gz HRICGGNNWCFNHE-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H]2CCCO2)C1 ZINC001365852259 1146028741 /nfs/dbraw/zinc/02/87/41/1146028741.db2.gz SKHNUDJVPZRWQM-BFHYXJOUSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001285174963 1146038270 /nfs/dbraw/zinc/03/82/70/1146038270.db2.gz UONNKYMGUYYUAS-JYJNAYRXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)N(C)C(=O)CN1CCC(C)(C)C1 ZINC001285829937 1146329673 /nfs/dbraw/zinc/32/96/73/1146329673.db2.gz MURWPFXWTCJXOG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CC[C@@](C)(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001286115130 1146434598 /nfs/dbraw/zinc/43/45/98/1146434598.db2.gz OUXQWWBMMIAALH-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001421740648 1171952506 /nfs/dbraw/zinc/95/25/06/1171952506.db2.gz WLVXPDQMAMIVGJ-CZUORRHYSA-N 0 3 305.397 2.394 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)CN(CC)CC)CC[C@@H]1C ZINC001288465418 1146804025 /nfs/dbraw/zinc/80/40/25/1146804025.db2.gz FCBWZDLJMIJFGZ-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cn3c(cccc3C)n2)C1 ZINC001491962885 1147022520 /nfs/dbraw/zinc/02/25/20/1147022520.db2.gz IWAMEPKVPALOKE-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(=O)CCCF)C1 ZINC001366124557 1147066714 /nfs/dbraw/zinc/06/67/14/1147066714.db2.gz ICHKNXTZMFVRBY-SHTZXODSSA-N 0 3 319.380 2.053 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccnn1CC(C)C ZINC001492029152 1147067767 /nfs/dbraw/zinc/06/77/67/1147067767.db2.gz AMUYTILERLKWSC-CYBMUJFWSA-N 0 3 312.845 2.390 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(C)CCc2scnc2C)C1 ZINC001492407252 1147246579 /nfs/dbraw/zinc/24/65/79/1147246579.db2.gz SYQBTOKZLBBPBR-UHFFFAOYSA-N 0 3 307.463 2.398 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1cccnc1 ZINC001366427946 1147269014 /nfs/dbraw/zinc/26/90/14/1147269014.db2.gz GCJMOJXKYLZDDA-LLVKDONJSA-N 0 3 312.211 2.088 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1occ2c1CCOC2 ZINC001366470861 1147298415 /nfs/dbraw/zinc/29/84/15/1147298415.db2.gz LCVOYYRCCRKHCU-LLVKDONJSA-N 0 3 312.797 2.203 20 30 DEEDHN C=C(C)C[C@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC001303112207 1147320145 /nfs/dbraw/zinc/32/01/45/1147320145.db2.gz SWHMMWXEKPVKCY-BARDWOONSA-N 0 3 310.438 2.262 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@@H](N(C)CC#CC)C1)OCC ZINC001317376902 1147364380 /nfs/dbraw/zinc/36/43/80/1147364380.db2.gz QOZFSJWXRKHSTF-SJORKVTESA-N 0 3 306.450 2.304 20 30 DEEDHN CCN(CCNC(=O)c1cccn1C)Cc1ccc(C#N)cc1 ZINC001366600669 1147384601 /nfs/dbraw/zinc/38/46/01/1147384601.db2.gz ZBQRGKZZJRFHMV-UHFFFAOYSA-N 0 3 310.401 2.149 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2occc2Cl)C1 ZINC001316744762 1147560410 /nfs/dbraw/zinc/56/04/10/1147560410.db2.gz AGOLCWHQUGPMPK-LBPRGKRZSA-N 0 3 312.797 2.018 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H]1C[C@H]1c1ccncc1)C1CC1 ZINC001316914546 1147630152 /nfs/dbraw/zinc/63/01/52/1147630152.db2.gz HSVZGUQJJWIFBG-ZWKOTPCHSA-N 0 3 311.429 2.179 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@H]2CC=CCC2)CC1 ZINC001316953169 1147638402 /nfs/dbraw/zinc/63/84/02/1147638402.db2.gz LQYXTFXJZUYTDY-KRWDZBQOSA-N 0 3 305.466 2.043 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001316953002 1147638657 /nfs/dbraw/zinc/63/86/57/1147638657.db2.gz IRKASNMYDRPKLU-QZTJIDSGSA-N 0 3 315.461 2.446 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001316977154 1147641788 /nfs/dbraw/zinc/64/17/88/1147641788.db2.gz XMHDVHMSZCYYBH-HKUYNNGSSA-N 0 3 316.445 2.267 20 30 DEEDHN CCCC(C)(C)C(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001317002600 1147647129 /nfs/dbraw/zinc/64/71/29/1147647129.db2.gz OWLBASPDPYQKSC-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCC(=O)NCC)CC1 ZINC001317004481 1147647277 /nfs/dbraw/zinc/64/72/77/1147647277.db2.gz YZHJYVRZBXFUBX-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001317015394 1147648283 /nfs/dbraw/zinc/64/82/83/1147648283.db2.gz YHZYQLMQCPVALD-GFCCVEGCSA-N 0 3 303.233 2.449 20 30 DEEDHN CC[C@H](F)CN1CCC(CCNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001367209886 1147664601 /nfs/dbraw/zinc/66/46/01/1147664601.db2.gz ZZMWVPVMWSLOSJ-HNNXBMFYSA-N 0 3 320.412 2.466 20 30 DEEDHN C[C@H](CNCc1nc(C(C)(C)C)cs1)CNC(=O)[C@H](C)C#N ZINC001367235280 1147667407 /nfs/dbraw/zinc/66/74/07/1147667407.db2.gz AHCVOGYAGRUQMY-VXGBXAGGSA-N 0 3 322.478 2.442 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001317164364 1147668869 /nfs/dbraw/zinc/66/88/69/1147668869.db2.gz CKWIXENEELQEEL-MRXNPFEDSA-N 0 3 319.449 2.120 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCn2cccc2)C1 ZINC001317206321 1147676685 /nfs/dbraw/zinc/67/66/85/1147676685.db2.gz SBTXTOFVIAILFG-DLBZAZTESA-N 0 3 301.434 2.118 20 30 DEEDHN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)Cn1cncc1C ZINC001367417103 1147691438 /nfs/dbraw/zinc/69/14/38/1147691438.db2.gz HRFVVOVZKNSPNV-AWEZNQCLSA-N 0 3 312.845 2.065 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCC[C@H](NCc2nccn2C)C1 ZINC001317351564 1147694720 /nfs/dbraw/zinc/69/47/20/1147694720.db2.gz BAQZNSSXWMWNBE-JKSUJKDBSA-N 0 3 316.449 2.131 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2oc(CCC)nc2C)C1 ZINC001317382709 1147699999 /nfs/dbraw/zinc/69/99/99/1147699999.db2.gz UMHBMBBIPIMILE-HNNXBMFYSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001317445735 1147710015 /nfs/dbraw/zinc/71/00/15/1147710015.db2.gz HGGZFGHSJPCEAI-KGLIPLIRSA-N 0 3 322.836 2.487 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001317462426 1147711848 /nfs/dbraw/zinc/71/18/48/1147711848.db2.gz UULJRIYLSPSIRV-CHWSQXEVSA-N 0 3 306.356 2.140 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001317521814 1147719665 /nfs/dbraw/zinc/71/96/65/1147719665.db2.gz FCIWRQWSYRZKCD-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc2c(c1)COC2 ZINC001317544118 1147722751 /nfs/dbraw/zinc/72/27/51/1147722751.db2.gz ILHVNBSRTRGIPZ-UHFFFAOYSA-N 0 3 300.402 2.182 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cccn1C ZINC001367790842 1147745568 /nfs/dbraw/zinc/74/55/68/1147745568.db2.gz WGNPRTXMXHUOGA-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CC1OCCCO1)c1ccccc1 ZINC001317719661 1147747047 /nfs/dbraw/zinc/74/70/47/1147747047.db2.gz ZNCSHGLEXOIGGC-MRXNPFEDSA-N 0 3 318.417 2.163 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001317932228 1147761572 /nfs/dbraw/zinc/76/15/72/1147761572.db2.gz WHZDUQHTMKFRBR-HZPDHXFCSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001318301913 1147809001 /nfs/dbraw/zinc/80/90/01/1147809001.db2.gz ZIIZHAQGDMLAMM-WMZOPIPTSA-N 0 3 314.429 2.403 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001324655694 1147826623 /nfs/dbraw/zinc/82/66/23/1147826623.db2.gz HRGYTQRQWWSNOO-GOSISDBHSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001368040112 1147839235 /nfs/dbraw/zinc/83/92/35/1147839235.db2.gz CSXHMIUNXVPQNB-OAHLLOKOSA-N 0 3 321.852 2.280 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@](C)(CNCc2nccn2C)C1 ZINC001324800233 1147846535 /nfs/dbraw/zinc/84/65/35/1147846535.db2.gz XTYNPSALQNULDJ-GOSISDBHSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccccc2CCC)C1 ZINC001325110322 1147876548 /nfs/dbraw/zinc/87/65/48/1147876548.db2.gz KXLQNWNEERSQNA-LJQANCHMSA-N 0 3 316.445 2.382 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CO[C@H](C)CC)C2)CC1 ZINC001325351202 1147894841 /nfs/dbraw/zinc/89/48/41/1147894841.db2.gz KQFWSZKSQSEESL-AEFFLSMTSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001325864963 1148010252 /nfs/dbraw/zinc/01/02/52/1148010252.db2.gz KLOHYLHUNQORSS-LPHOPBHVSA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccc(CF)cc2)C1 ZINC001325877517 1148012295 /nfs/dbraw/zinc/01/22/95/1148012295.db2.gz UMPBFJQPWZDTFZ-SFHVURJKSA-N 0 3 320.408 2.289 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)C1CCOCC1 ZINC001326447340 1148102126 /nfs/dbraw/zinc/10/21/26/1148102126.db2.gz SWIBUNNGFODZQI-UHFFFAOYSA-N 0 3 302.418 2.347 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc3[nH]nc(C)c3c2)CCC1 ZINC001326856142 1148270886 /nfs/dbraw/zinc/27/08/86/1148270886.db2.gz NSWXKAARWKAIGT-UHFFFAOYSA-N 0 3 310.401 2.137 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000278385337 214133151 /nfs/dbraw/zinc/13/31/51/214133151.db2.gz IGBDSRJJWQRNIH-RCCFBDPRSA-N 0 3 314.429 2.358 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCO1)C(C)C ZINC000079032795 185147832 /nfs/dbraw/zinc/14/78/32/185147832.db2.gz WQFRPKXBKCZEGZ-CVEARBPZSA-N 0 3 309.454 2.163 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NC[C@H]3CCSC3)C2=O)cc1 ZINC000278775623 214392439 /nfs/dbraw/zinc/39/24/39/214392439.db2.gz PDDPTEWYWOMBOB-GDBMZVCRSA-N 0 3 315.442 2.396 20 30 DEEDHN CCc1ccccc1[C@H](N)CNC(=O)NCC(C)(C)CC#N ZINC000418287927 529614221 /nfs/dbraw/zinc/61/42/21/529614221.db2.gz HIOMMGBGOZNABY-OAHLLOKOSA-N 0 3 302.422 2.488 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc([S@](C)=O)c2)nc(C)n1 ZINC000613760336 362201674 /nfs/dbraw/zinc/20/16/74/362201674.db2.gz OYTXOKUIIGYJNJ-PEBXRYMYSA-N 0 3 313.382 2.321 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)c1cc2ccccc2n1CC#N ZINC000613838143 362226698 /nfs/dbraw/zinc/22/66/98/362226698.db2.gz WFLKXXLSLUURBI-UHFFFAOYSA-N 0 3 310.401 2.331 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272808011 210209419 /nfs/dbraw/zinc/20/94/19/210209419.db2.gz VRTDMHDCZJDRCR-KBPBESRZSA-N 0 3 313.401 2.092 20 30 DEEDHN CN1CCN(c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cn2)CC1 ZINC000192645157 529777055 /nfs/dbraw/zinc/77/70/55/529777055.db2.gz GMSQCJDMZAGZMH-DOTOQJQBSA-N 0 3 313.449 2.005 20 30 DEEDHN Cn1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181558227 199317090 /nfs/dbraw/zinc/31/70/90/199317090.db2.gz ICSVRPYXWDMTIS-UHFFFAOYSA-N 0 3 309.417 2.046 20 30 DEEDHN CN1CC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000294480708 529793751 /nfs/dbraw/zinc/79/37/51/529793751.db2.gz JFFIXYVKPOQMHF-JTQLQIEISA-N 0 3 322.206 2.002 20 30 DEEDHN CNC(=O)c1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000330775139 529940635 /nfs/dbraw/zinc/94/06/35/529940635.db2.gz RTHZBMTZJRXVON-LBPRGKRZSA-N 0 3 316.405 2.023 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000614876525 362481481 /nfs/dbraw/zinc/48/14/81/362481481.db2.gz ZABWKJFWEQAXMP-WMZOPIPTSA-N 0 3 320.433 2.130 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614880016 362482639 /nfs/dbraw/zinc/48/26/39/362482639.db2.gz YMSILOBBEBOOII-DLBZAZTESA-N 0 3 304.434 2.151 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000614962689 362499691 /nfs/dbraw/zinc/49/96/91/362499691.db2.gz CLQLKJJTTYVHOV-QFBILLFUSA-N 0 3 312.461 2.331 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000615819844 362708369 /nfs/dbraw/zinc/70/83/69/362708369.db2.gz VGIXPFUKXMANJG-QGZVFWFLSA-N 0 3 302.418 2.094 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000615794511 362704526 /nfs/dbraw/zinc/70/45/26/362704526.db2.gz DUTDCDCBQQSONO-OAGGEKHMSA-N 0 3 319.449 2.076 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H]2CCCC[C@@H]21 ZINC000625519427 365812979 /nfs/dbraw/zinc/81/29/79/365812979.db2.gz NQWZDFHKITZDQZ-YOEHRIQHSA-N 0 3 308.381 2.160 20 30 DEEDHN C#CCCN1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279718843 215089849 /nfs/dbraw/zinc/08/98/49/215089849.db2.gz MDZBRPBQKMHTLB-NRFANRHFSA-N 0 3 322.452 2.384 20 30 DEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1csnn1 ZINC000413994651 404468554 /nfs/dbraw/zinc/46/85/54/404468554.db2.gz RSTPDYGETWWPCF-YPMHNXCESA-N 0 3 300.387 2.488 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000595460593 358455200 /nfs/dbraw/zinc/45/52/00/358455200.db2.gz FIIVLZDRYVHEKD-BBRMVZONSA-N 0 3 300.406 2.403 20 30 DEEDHN CC1(C)CN(CCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000595465609 358456425 /nfs/dbraw/zinc/45/64/25/358456425.db2.gz CTQATJZGIDLZIQ-SFHVURJKSA-N 0 3 300.402 2.371 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000175681048 186187480 /nfs/dbraw/zinc/18/74/80/186187480.db2.gz KUPBEWAVFIZCLD-MRXNPFEDSA-N 0 3 308.385 2.281 20 30 DEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(F)cc1C#N)C2 ZINC000177906637 186201920 /nfs/dbraw/zinc/20/19/20/186201920.db2.gz KHKUGLOLEVZNJA-UONOGXRCSA-N 0 3 302.353 2.398 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](C2CC2)C1=O)C(C)C ZINC000277253645 213397076 /nfs/dbraw/zinc/39/70/76/213397076.db2.gz IETLJPLHRADMIE-HUUCEWRRSA-N 0 3 305.422 2.015 20 30 DEEDHN CCS[C@H]1CC[C@H](N(C)CC(=O)N(CCC#N)CCC#N)C1 ZINC000072837589 191236098 /nfs/dbraw/zinc/23/60/98/191236098.db2.gz LCSVRLCPQWAHAW-GJZGRUSLSA-N 0 3 322.478 2.248 20 30 DEEDHN C=CCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000617615345 363203549 /nfs/dbraw/zinc/20/35/49/363203549.db2.gz IQEKGJRYLBFURH-UHFFFAOYSA-N 0 3 301.434 2.281 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000028838997 354104303 /nfs/dbraw/zinc/10/43/03/354104303.db2.gz PQANSILRBIQJSN-QGZVFWFLSA-N 0 3 308.385 2.294 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1cc(C#N)ncn1 ZINC000617963778 363332714 /nfs/dbraw/zinc/33/27/14/363332714.db2.gz DNIPSKZQDMNPDF-UHFFFAOYSA-N 0 3 322.416 2.486 20 30 DEEDHN N#Cc1ccc(CNCc2ccccc2Cn2cncn2)cc1 ZINC000048711261 354354812 /nfs/dbraw/zinc/35/48/12/354354812.db2.gz JQVISSFXKPDXFM-UHFFFAOYSA-N 0 3 303.369 2.488 20 30 DEEDHN N#Cc1ccc(CNCCN2CCN(c3ccccc3)CC2)cc1 ZINC000048710316 354354934 /nfs/dbraw/zinc/35/49/34/354354934.db2.gz ZQLFXSCYWBTKRR-UHFFFAOYSA-N 0 3 320.440 2.470 20 30 DEEDHN CN(CCc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000051404539 354384643 /nfs/dbraw/zinc/38/46/43/354384643.db2.gz ALEPRULUQZSJBX-GOSISDBHSA-N 0 3 310.397 2.472 20 30 DEEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cn1 ZINC000065930693 354695015 /nfs/dbraw/zinc/69/50/15/354695015.db2.gz PQTWSAQMWNJSBY-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000066483015 354718631 /nfs/dbraw/zinc/71/86/31/354718631.db2.gz GCNZYNHEZHVARL-ZIFCJYIRSA-N 0 3 318.461 2.145 20 30 DEEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000072634975 354909976 /nfs/dbraw/zinc/90/99/76/354909976.db2.gz ZWXZOFSKMHYTCB-UHFFFAOYSA-N 0 3 321.808 2.442 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C[C@@H](C)CO)CC1 ZINC000074130013 355008671 /nfs/dbraw/zinc/00/86/71/355008671.db2.gz UPKXSCYZFQIIES-CABCVRRESA-N 0 3 311.470 2.123 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(O)(CC)CC1 ZINC000075859817 355110058 /nfs/dbraw/zinc/11/00/58/355110058.db2.gz JHUUGOIIEIPFLT-KRWDZBQOSA-N 0 3 319.445 2.392 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2CO)CC1 ZINC000077577779 355214034 /nfs/dbraw/zinc/21/40/34/355214034.db2.gz VUVOFELSXULJQT-UHFFFAOYSA-N 0 3 317.433 2.019 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cn(C)nc2CC)CC1 ZINC000091197355 355586294 /nfs/dbraw/zinc/58/62/94/355586294.db2.gz DQMJLGFSOOBHRN-UHFFFAOYSA-N 0 3 305.426 2.145 20 30 DEEDHN CCc1nn(C)cc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000092387979 355630924 /nfs/dbraw/zinc/63/09/24/355630924.db2.gz WSJRZTHKIKGKGM-UHFFFAOYSA-N 0 3 324.432 2.008 20 30 DEEDHN N#Cc1ccc(SCC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000108298181 355733535 /nfs/dbraw/zinc/73/35/35/355733535.db2.gz FRVUDGDUADNZFK-HNNXBMFYSA-N 0 3 315.442 2.251 20 30 DEEDHN Cc1ccc(C#N)cc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000130647839 355843616 /nfs/dbraw/zinc/84/36/16/355843616.db2.gz HECUYHGIBWTFCJ-UHFFFAOYSA-N 0 3 312.377 2.269 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)nn(C)c1C)C(C)C ZINC000078619535 191897206 /nfs/dbraw/zinc/89/72/06/191897206.db2.gz LODQPMYVBKREHC-MRXNPFEDSA-N 0 3 318.465 2.465 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000182658120 356137626 /nfs/dbraw/zinc/13/76/26/356137626.db2.gz SEDDVRZHCBTTRN-AWEZNQCLSA-N 0 3 324.494 2.197 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000182857808 356149273 /nfs/dbraw/zinc/14/92/73/356149273.db2.gz FSMLVDVLNDHUHP-ZDUSSCGKSA-N 0 3 306.385 2.059 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CC[C@@H](CO)O2)c(C(F)(F)F)c1 ZINC000353690015 283146387 /nfs/dbraw/zinc/14/63/87/283146387.db2.gz QXIAGLMEAFZGPA-OLZOCXBDSA-N 0 3 314.307 2.207 20 30 DEEDHN C[C@H]1CC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000230421746 356283702 /nfs/dbraw/zinc/28/37/02/356283702.db2.gz SVQGJJMRTXBABC-ZFWWWQNUSA-N 0 3 306.431 2.358 20 30 DEEDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290691072 356379075 /nfs/dbraw/zinc/37/90/75/356379075.db2.gz WBPVDBYPAYBZHM-PSLIRLAXSA-N 0 3 324.340 2.326 20 30 DEEDHN Cc1nc(C)c(CNC[C@@H](O)COc2ccccc2C#N)s1 ZINC000320199530 356444103 /nfs/dbraw/zinc/44/41/03/356444103.db2.gz STZVZYMNUQKEDT-CQSZACIVSA-N 0 3 317.414 2.161 20 30 DEEDHN N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3CCC[C@H]3C2)C1=O ZINC000247445706 283227293 /nfs/dbraw/zinc/22/72/93/283227293.db2.gz SICTYPWQOOUJOO-IHRRRGAJSA-N 0 3 301.415 2.457 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000579565425 356995266 /nfs/dbraw/zinc/99/52/66/356995266.db2.gz XAMLXULYJPGKQG-UHFFFAOYSA-N 0 3 301.390 2.408 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc(C)no1)C(C)C ZINC000579845865 357042584 /nfs/dbraw/zinc/04/25/84/357042584.db2.gz ILGOLUKLCFITPP-INIZCTEOSA-N 0 3 305.422 2.340 20 30 DEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000581863186 357257203 /nfs/dbraw/zinc/25/72/03/357257203.db2.gz OXGWTHJDMAHNHG-REEYDVFISA-N 0 3 309.413 2.425 20 30 DEEDHN CS[C@H]1CN(C(=O)CCCCCC#N)C[C@H]1N1CCCC1 ZINC000588677999 357417442 /nfs/dbraw/zinc/41/74/42/357417442.db2.gz QVKHJPCRTHNKLW-CABCVRRESA-N 0 3 309.479 2.499 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(C#N)n1)C(C)C ZINC000589297105 357461263 /nfs/dbraw/zinc/46/12/63/357461263.db2.gz VLCUOMBGVXHXBI-QGZVFWFLSA-N 0 3 312.417 2.382 20 30 DEEDHN N#Cc1ccc(N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000589557183 357478949 /nfs/dbraw/zinc/47/89/49/357478949.db2.gz SIAUHPPMNRQPEJ-UHFFFAOYSA-N 0 3 309.329 2.188 20 30 DEEDHN CN(C)CCn1cc(NC(=O)Nc2cccc(CC#N)c2)cn1 ZINC000590855360 357627231 /nfs/dbraw/zinc/62/72/31/357627231.db2.gz VCDGTXVZOCQOCX-UHFFFAOYSA-N 0 3 312.377 2.155 20 30 DEEDHN CO[C@H](CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000591373538 357716099 /nfs/dbraw/zinc/71/60/99/357716099.db2.gz VSSYMLMUBZHZGB-DLBZAZTESA-N 0 3 313.401 2.068 20 30 DEEDHN Cc1ccccc1CN1CCCN(c2cncc(C#N)n2)CC1 ZINC000591459189 357726533 /nfs/dbraw/zinc/72/65/33/357726533.db2.gz UVIMZNPJSNXRIZ-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CC(C)Oc1ccc(CCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000591593903 357740500 /nfs/dbraw/zinc/74/05/00/357740500.db2.gz KQXFEAICMNKNAJ-MRXNPFEDSA-N 0 3 303.406 2.154 20 30 DEEDHN Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@]3(C#N)CCNC3)C2)c1 ZINC000591640947 357746967 /nfs/dbraw/zinc/74/69/67/357746967.db2.gz UVDAYJXNCHEUDY-IRXDYDNUSA-N 0 3 319.355 2.035 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591867722 357772989 /nfs/dbraw/zinc/77/29/89/357772989.db2.gz RWPJDGGGALJRIF-CVEARBPZSA-N 0 3 302.422 2.109 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183152 357847350 /nfs/dbraw/zinc/84/73/50/357847350.db2.gz RVZXPECUGRNUEJ-INMHGKMJSA-N 0 3 321.465 2.320 20 30 DEEDHN C[C@H]1CC2(CN1CC(=O)NC1(C#N)CCCCC1)CCOCC2 ZINC000592182688 357847722 /nfs/dbraw/zinc/84/77/22/357847722.db2.gz OZCSSDIJNRWXJV-HNNXBMFYSA-N 0 3 319.449 2.220 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000662078733 540325632 /nfs/dbraw/zinc/32/56/32/540325632.db2.gz FVYDZXYQWNNCEJ-YYIAUSFCSA-N 0 3 304.434 2.339 20 30 DEEDHN Cc1cncc(CCN2CCCN(c3ccccc3C#N)CC2)n1 ZINC000592998711 357983840 /nfs/dbraw/zinc/98/38/40/357983840.db2.gz FHYPNWQRKNMWOF-UHFFFAOYSA-N 0 3 321.428 2.412 20 30 DEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCN1CCCCC1 ZINC000593113760 358013756 /nfs/dbraw/zinc/01/37/56/358013756.db2.gz VCNHVWFEPASJII-HNNXBMFYSA-N 0 3 314.433 2.303 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000593339579 358058011 /nfs/dbraw/zinc/05/80/11/358058011.db2.gz PWCIWLIZGDEHPY-UHFFFAOYSA-N 0 3 318.396 2.325 20 30 DEEDHN CCC(C#N)C(=O)NC[C@](CC)(C(=O)OC)c1ccccc1 ZINC000593741429 358134037 /nfs/dbraw/zinc/13/40/37/358134037.db2.gz ASNYAXTXFFWNAQ-DYVFJYSZSA-N 0 3 302.374 2.173 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000594309834 358241596 /nfs/dbraw/zinc/24/15/96/358241596.db2.gz JWKOVKODDLJHRP-CKEIUWERSA-N 0 3 311.429 2.478 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1F ZINC000594198126 358221790 /nfs/dbraw/zinc/22/17/90/358221790.db2.gz SGQNIYKHYBUYFZ-CVEARBPZSA-N 0 3 301.365 2.444 20 30 DEEDHN N#Cc1ccc(OCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594201766 358222705 /nfs/dbraw/zinc/22/27/05/358222705.db2.gz RKBMPMAXNKVFKW-IAGOWNOFSA-N 0 3 313.401 2.070 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)C[C@H](c2ccsc2)O1 ZINC000594433018 358268848 /nfs/dbraw/zinc/26/88/48/358268848.db2.gz JLRZTVYSQCVZKV-VHDGCEQUSA-N 0 3 321.446 2.448 20 30 DEEDHN N#Cc1csc(CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000594616747 358307032 /nfs/dbraw/zinc/30/70/32/358307032.db2.gz IIYJKJVGASOJPO-HNNXBMFYSA-N 0 3 305.447 2.306 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000595258203 358407805 /nfs/dbraw/zinc/40/78/05/358407805.db2.gz SRUFZRQFSOMAFH-CVEARBPZSA-N 0 3 319.380 2.137 20 30 DEEDHN N#Cc1ccc(CCN2CCOC3(CCOCC3)CC2)cc1 ZINC000595444206 358449723 /nfs/dbraw/zinc/44/97/23/358449723.db2.gz FYQUEZZJEKANGX-UHFFFAOYSA-N 0 3 300.402 2.372 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CN1C1CC1 ZINC000618822194 363612808 /nfs/dbraw/zinc/61/28/08/363612808.db2.gz VCQISAMLFWHAFN-HNJNHCNJSA-N 0 3 324.428 2.470 20 30 DEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc(F)c1C#N)C2 ZINC000597709959 358984315 /nfs/dbraw/zinc/98/43/15/358984315.db2.gz FFWWEFCCSGVTTB-QGZVFWFLSA-N 0 3 301.365 2.255 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CCN1 ZINC000598574521 359247031 /nfs/dbraw/zinc/24/70/31/359247031.db2.gz RIPJCXFDOMITJA-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)CC(C)(C)C#N ZINC000598585602 359249848 /nfs/dbraw/zinc/24/98/48/359249848.db2.gz GWACCZSXIZDMAF-XGUBFFRZSA-N 0 3 308.422 2.093 20 30 DEEDHN Cc1cccc(N2CCN(C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598584360 359250315 /nfs/dbraw/zinc/25/03/15/359250315.db2.gz KHQPVEDDGGRSFM-QGZVFWFLSA-N 0 3 301.434 2.418 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)CC(C)(C)C#N ZINC000598585604 359250395 /nfs/dbraw/zinc/25/03/95/359250395.db2.gz GWACCZSXIZDMAF-YJNKXOJESA-N 0 3 308.422 2.093 20 30 DEEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000598603177 359257775 /nfs/dbraw/zinc/25/77/75/359257775.db2.gz YIYJXXWOZIIKMS-VUCVNMQBSA-N 0 3 308.447 2.375 20 30 DEEDHN COc1cc2c(cc1CNC[C@H](O)CC(C)(C)C#N)O[C@@H](C)C2 ZINC000598725351 359306685 /nfs/dbraw/zinc/30/66/85/359306685.db2.gz OEDGKYASUTUXMN-SWLSCSKDSA-N 0 3 318.417 2.409 20 30 DEEDHN CC[C@@](C)(C(=O)OC)N(C[C@@H](O)CC(C)(C)C#N)CC1CC1 ZINC000598622048 359264340 /nfs/dbraw/zinc/26/43/40/359264340.db2.gz KLXWISBLDZIRIO-YOEHRIQHSA-N 0 3 310.438 2.341 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)c3cc(C#N)c[nH]3)c2)CC1 ZINC000187405193 200107751 /nfs/dbraw/zinc/10/77/51/200107751.db2.gz OBGKKCXDAUOPQC-UHFFFAOYSA-N 0 3 323.400 2.281 20 30 DEEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000188262548 200218617 /nfs/dbraw/zinc/21/86/17/200218617.db2.gz VAPIHJNYLGEAPL-UHFFFAOYSA-N 0 3 321.446 2.055 20 30 DEEDHN C=CCc1cc(CNCC2(C(=O)OC)CC2)cc(OC)c1O ZINC000188685958 200287413 /nfs/dbraw/zinc/28/74/13/200287413.db2.gz AYTPWNWMLDEEJO-UHFFFAOYSA-N 0 3 305.374 2.172 20 30 DEEDHN Cc1ncc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000601967619 360213053 /nfs/dbraw/zinc/21/30/53/360213053.db2.gz IJBDTVHUJXYIQA-SMDDNHRTSA-N 0 3 317.414 2.414 20 30 DEEDHN C[C@H]1OCC[C@@]12CN(CCCC1(C#N)CCOCC1)C[C@@H](C)O2 ZINC000369708029 291223465 /nfs/dbraw/zinc/22/34/65/291223465.db2.gz YRNHVASEFXYZHI-JFIYKMOQSA-N 0 3 322.449 2.355 20 30 DEEDHN N#Cc1n[nH]cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602366578 360351096 /nfs/dbraw/zinc/35/10/96/360351096.db2.gz XHOUWQTZMIVORK-CQSZACIVSA-N 0 3 309.373 2.132 20 30 DEEDHN CC(C)CC[C@@H](N)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000602519403 360414993 /nfs/dbraw/zinc/41/49/93/360414993.db2.gz ZSTJAAHJJTUCFF-CYBMUJFWSA-N 0 3 320.462 2.032 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000602521838 360416648 /nfs/dbraw/zinc/41/66/48/360416648.db2.gz SJSBXWJSXQGTAS-XOKHGSTOSA-N 0 3 300.402 2.333 20 30 DEEDHN CCn1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1=O ZINC000602639925 360472309 /nfs/dbraw/zinc/47/23/09/360472309.db2.gz LJTYFWLHBFNXTL-AWEZNQCLSA-N 0 3 303.406 2.057 20 30 DEEDHN N#Cc1ccccc1N1CCCN(CCc2cnccn2)CC1 ZINC000602763488 360541143 /nfs/dbraw/zinc/54/11/43/360541143.db2.gz OXHMMNBRTPCKFP-UHFFFAOYSA-N 0 3 307.401 2.103 20 30 DEEDHN CCOc1ccccc1CN1CCN(C(=O)C(C)C#N)[C@@H](C)C1 ZINC000442894593 238089630 /nfs/dbraw/zinc/08/96/30/238089630.db2.gz IFTBLIMHKHUYSB-GJZGRUSLSA-N 0 3 315.417 2.278 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)[C@@H]2C1 ZINC000603077300 360691736 /nfs/dbraw/zinc/69/17/36/360691736.db2.gz UOOBVEPUTGHCTK-SWLSCSKDSA-N 0 3 302.353 2.255 20 30 DEEDHN N#CCCOCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603142812 360719372 /nfs/dbraw/zinc/71/93/72/360719372.db2.gz FLOZHBKJOAHRBV-UONOGXRCSA-N 0 3 316.323 2.041 20 30 DEEDHN Cc1cc(CNC[C@@H]2CN(CC(C)C)CCO2)ccc1C#N ZINC000443981267 238132980 /nfs/dbraw/zinc/13/29/80/238132980.db2.gz SQALZORZQVLIRD-GOSISDBHSA-N 0 3 301.434 2.313 20 30 DEEDHN CCN1CCN(c2ccc(C#N)cc2COCCOC)C[C@H]1C ZINC000603325301 360792465 /nfs/dbraw/zinc/79/24/65/360792465.db2.gz IYXDYCOHYARREC-OAHLLOKOSA-N 0 3 317.433 2.252 20 30 DEEDHN COCCOCc1cc(C#N)ccc1NCCN(C)C1CC1 ZINC000603279058 360775359 /nfs/dbraw/zinc/77/53/59/360775359.db2.gz BZMNVLMLYOZZFD-UHFFFAOYSA-N 0 3 303.406 2.227 20 30 DEEDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC000603404884 360820288 /nfs/dbraw/zinc/82/02/88/360820288.db2.gz WYWXQHQZAJBAJS-UHFFFAOYSA-N 0 3 317.393 2.359 20 30 DEEDHN C/C=C/C[C@H](CO)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000603437705 360832313 /nfs/dbraw/zinc/83/23/13/360832313.db2.gz RRWPCYOWLJFHTH-REMYHPOOSA-N 0 3 310.401 2.375 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)C(C)(C)O)C(C)C ZINC000606641500 361028164 /nfs/dbraw/zinc/02/81/64/361028164.db2.gz DOPRIRZZLSYPFW-LSDHHAIUSA-N 0 3 311.470 2.144 20 30 DEEDHN COC(=O)c1sc2ccccc2c1CNC(=O)C(C)C#N ZINC000609921387 361349387 /nfs/dbraw/zinc/34/93/87/361349387.db2.gz PLRDIDRFVGYTFR-VIFPVBQESA-N 0 3 302.355 2.464 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC2(CCOC2)CC1 ZINC000611177433 361540999 /nfs/dbraw/zinc/54/09/99/361540999.db2.gz FBUXDJGMIFXBGE-UHFFFAOYSA-N 0 3 316.401 2.448 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000611623240 361648037 /nfs/dbraw/zinc/64/80/37/361648037.db2.gz RGDRVXOGSPZJFR-NVXWUHKLSA-N 0 3 314.433 2.357 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ncc4ccccn43)CCC[C@@H]12 ZINC000991820794 781950246 /nfs/dbraw/zinc/95/02/46/781950246.db2.gz TYYLMSZDJLMOEQ-CRAIPNDOSA-N 0 3 310.401 2.247 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000448692744 239533686 /nfs/dbraw/zinc/53/36/86/239533686.db2.gz YYRGUZLDCJJJKR-BEFAXECRSA-N 0 3 311.429 2.359 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623512692 365058370 /nfs/dbraw/zinc/05/83/70/365058370.db2.gz QWXWSYKGQPXDRF-DYVFJYSZSA-N 0 3 316.380 2.477 20 30 DEEDHN CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H](C)C(C)C ZINC000091542824 193070495 /nfs/dbraw/zinc/07/04/95/193070495.db2.gz XPKOAJWLPLEBPH-IRXDYDNUSA-N 0 3 322.497 2.045 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000677478951 541594529 /nfs/dbraw/zinc/59/45/29/541594529.db2.gz GISSUKURFTZCCV-MRXNPFEDSA-N 0 3 306.381 2.413 20 30 DEEDHN CO[C@]1(C)C[C@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000451481660 243012187 /nfs/dbraw/zinc/01/21/87/243012187.db2.gz BDVTYKPOKKWINB-XJKSGUPXSA-N 0 3 307.438 2.122 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NCCN(C)C1CC1 ZINC000264779485 204150886 /nfs/dbraw/zinc/15/08/86/204150886.db2.gz BMUVSQAZYWDMBI-UHFFFAOYSA-N 0 3 303.381 2.065 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1 ZINC000288243946 220039681 /nfs/dbraw/zinc/03/96/81/220039681.db2.gz OLZOXKYENVLLQR-CJNGLKHVSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCOCCN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000679575857 541878052 /nfs/dbraw/zinc/87/80/52/541878052.db2.gz CMRPZRBENHEOIA-CQSZACIVSA-N 0 3 324.446 2.080 20 30 DEEDHN Cc1nccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000266103910 205099391 /nfs/dbraw/zinc/09/93/91/205099391.db2.gz IOHWQVCLTICVSP-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN C=CCOCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679628842 541884396 /nfs/dbraw/zinc/88/43/96/541884396.db2.gz MABSYALGKRHHDY-QGZVFWFLSA-N 0 3 317.433 2.105 20 30 DEEDHN C=CCOCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000679629328 541884553 /nfs/dbraw/zinc/88/45/53/541884553.db2.gz BRWVRXBHQWEYRZ-UHFFFAOYSA-N 0 3 323.412 2.102 20 30 DEEDHN C[C@@H](O)CN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000456589934 247297212 /nfs/dbraw/zinc/29/72/12/247297212.db2.gz OOSBOYRADFXBJM-TZMCWYRMSA-N 0 3 310.344 2.233 20 30 DEEDHN C=CCC[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(=O)OCC ZINC000456632516 247325513 /nfs/dbraw/zinc/32/55/13/247325513.db2.gz UGDVEPPHIWOAGN-HZPDHXFCSA-N 0 3 322.449 2.408 20 30 DEEDHN CO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000458201174 248201781 /nfs/dbraw/zinc/20/17/81/248201781.db2.gz UBFLDECREFYNHG-IXDOHACOSA-N 0 3 323.396 2.314 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC(F)(F)C(F)(F)C2)CC1 ZINC000458319095 248260779 /nfs/dbraw/zinc/26/07/79/248260779.db2.gz KITWVSRHTLMUBV-UHFFFAOYSA-N 0 3 323.334 2.323 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@](C)(OC)C2)CC1 ZINC000471808185 248711952 /nfs/dbraw/zinc/71/19/52/248711952.db2.gz GDDHAXDTZDESFU-QGZVFWFLSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C\c1ncc[nH]1)C(C)C ZINC000493582494 249330545 /nfs/dbraw/zinc/33/05/45/249330545.db2.gz JOUVZBPIRJYGOS-LZNQSLFOSA-N 0 3 302.422 2.238 20 30 DEEDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000494251838 249485297 /nfs/dbraw/zinc/48/52/97/249485297.db2.gz TWPRYYIAVMUFGN-BONVTDFDSA-N 0 3 307.781 2.307 20 30 DEEDHN CN(C)[C@H](CNC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000105075322 194070653 /nfs/dbraw/zinc/07/06/53/194070653.db2.gz UHGAICMVIRRLGE-MRXNPFEDSA-N 0 3 300.406 2.234 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(CC)c1)C(C)C ZINC000114378931 194651766 /nfs/dbraw/zinc/65/17/66/194651766.db2.gz RUTDXPHNLOFIMW-INIZCTEOSA-N 0 3 304.438 2.331 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C[C@H](C)O)C1CCCCC1 ZINC000245883027 285037571 /nfs/dbraw/zinc/03/75/71/285037571.db2.gz BSKXOQHSTGKQMN-CABCVRRESA-N 0 3 309.454 2.010 20 30 DEEDHN CN(c1cccc(C#N)n1)C1CCN(CCc2ccccn2)CC1 ZINC000270047191 208104684 /nfs/dbraw/zinc/10/46/84/208104684.db2.gz LEQANNIRUYAXOG-UHFFFAOYSA-N 0 3 321.428 2.492 20 30 DEEDHN CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1nc(-c2nc[n-]n2)no1 ZINC000120792414 195238480 /nfs/dbraw/zinc/23/84/80/195238480.db2.gz ZUKJBRRLOLURDG-NSHDSACASA-N 0 3 317.397 2.471 20 30 DEEDHN CC(C)[C@H](NCCCC(C)(C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000120792414 195238482 /nfs/dbraw/zinc/23/84/82/195238482.db2.gz ZUKJBRRLOLURDG-NSHDSACASA-N 0 3 317.397 2.471 20 30 DEEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000289518139 221035943 /nfs/dbraw/zinc/03/59/43/221035943.db2.gz GZHBHCGFXZKIIY-INIZCTEOSA-N 0 3 315.417 2.448 20 30 DEEDHN O[C@@H]1CCC[C@@H]1N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000363603213 285316568 /nfs/dbraw/zinc/31/65/68/285316568.db2.gz HRLGSSRJFLWCAD-ZWKOTPCHSA-N 0 3 318.848 2.223 20 30 DEEDHN COc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331274706 533385276 /nfs/dbraw/zinc/38/52/76/533385276.db2.gz IAGMSTNGCWECQK-WDEREUQCSA-N 0 3 307.350 2.391 20 30 DEEDHN COC(=O)COC[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418149475 533546840 /nfs/dbraw/zinc/54/68/40/533546840.db2.gz VCHMOBOAGVEHQR-MLGOLLRUSA-N 0 3 302.374 2.103 20 30 DEEDHN COc1ccc(CNC[C@@H](O)C2CC2)cc1OCCCC#N ZINC000265116814 533665120 /nfs/dbraw/zinc/66/51/20/533665120.db2.gz ZHDBFKZEBVMABF-OAHLLOKOSA-N 0 3 304.390 2.238 20 30 DEEDHN N#Cc1cccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000355344502 133019217 /nfs/dbraw/zinc/01/92/17/133019217.db2.gz RKIHSNKHPZBXOK-SFHVURJKSA-N 0 3 321.380 2.377 20 30 DEEDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1O ZINC000360213437 133169325 /nfs/dbraw/zinc/16/93/25/133169325.db2.gz OYRYARPPDUHCOG-CXAGYDPISA-N 0 3 310.401 2.161 20 30 DEEDHN N#Cc1ccnc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000368545728 133277965 /nfs/dbraw/zinc/27/79/65/133277965.db2.gz OAIIBTZYRAPUNB-IRXDYDNUSA-N 0 3 308.385 2.001 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429530646 285632890 /nfs/dbraw/zinc/63/28/90/285632890.db2.gz VHPKMLQGQOMYER-QLFBSQMISA-N 0 3 307.438 2.265 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2ccccc2)s1 ZINC000563618626 292066650 /nfs/dbraw/zinc/06/66/50/292066650.db2.gz ZBLWGELCICHEQG-CQSZACIVSA-N 0 3 302.399 2.287 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000371807339 404473838 /nfs/dbraw/zinc/47/38/38/404473838.db2.gz AHGNOUZERQSIJP-OAHLLOKOSA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1nnc2n1CCCCC2 ZINC000329878446 404479014 /nfs/dbraw/zinc/47/90/14/404479014.db2.gz KTZQLGYWTFLBBP-BETUJISGSA-N 0 3 305.426 2.334 20 30 DEEDHN N#Cc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1F ZINC000191946773 145068384 /nfs/dbraw/zinc/06/83/84/145068384.db2.gz OERMXVXNAPGQDI-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000192021157 145069756 /nfs/dbraw/zinc/06/97/56/145069756.db2.gz MFKKGTVOGZSXRF-INIZCTEOSA-N 0 3 317.408 2.242 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H](C)C1 ZINC000346179045 146031879 /nfs/dbraw/zinc/03/18/79/146031879.db2.gz GJZMRLGVHPAIFG-DCGLDWPTSA-N 0 3 315.392 2.500 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348139827 146222857 /nfs/dbraw/zinc/22/28/57/146222857.db2.gz WETISCKCBBLMQX-DYEKYZERSA-N 0 3 319.405 2.500 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348139827 146222860 /nfs/dbraw/zinc/22/28/60/146222860.db2.gz WETISCKCBBLMQX-DYEKYZERSA-N 0 3 319.405 2.500 20 30 DEEDHN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000565651733 292175103 /nfs/dbraw/zinc/17/51/03/292175103.db2.gz SYUNLZKELLQPSN-HUUCEWRRSA-N 0 3 306.369 2.201 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000370696927 148046385 /nfs/dbraw/zinc/04/63/85/148046385.db2.gz IQTQPDZIWZRMJU-PBHICJAKSA-N 0 3 318.490 2.078 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372154179 148175955 /nfs/dbraw/zinc/17/59/55/148175955.db2.gz DCLORNLJKLRKLS-BMFZPTHFSA-N 0 3 313.401 2.244 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000127703360 401746229 /nfs/dbraw/zinc/74/62/29/401746229.db2.gz LSDZADJDYJPFML-AWEZNQCLSA-N 0 3 309.413 2.485 20 30 DEEDHN CCN1CCN([C@H]2CCN(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000110586642 401691569 /nfs/dbraw/zinc/69/15/69/401691569.db2.gz ZKFUJNNFVLAKEG-INIZCTEOSA-N 0 3 318.852 2.428 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076806572 401799884 /nfs/dbraw/zinc/79/98/84/401799884.db2.gz RIYUUSHGNBMMMV-GDBMZVCRSA-N 0 3 317.408 2.451 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1C1CC1 ZINC000127928694 401756166 /nfs/dbraw/zinc/75/61/66/401756166.db2.gz JLCTXQMACLYMFF-CZUORRHYSA-N 0 3 312.417 2.325 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(OC)c(Cl)c2)CC1 ZINC000128493158 401779545 /nfs/dbraw/zinc/77/95/45/401779545.db2.gz HKCYNTGZPIPTKU-UHFFFAOYSA-N 0 3 320.820 2.310 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](COC)C2)CC1 ZINC000113617945 401783873 /nfs/dbraw/zinc/78/38/73/401783873.db2.gz YCINOLRYQKFJAT-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN COc1ccc(CCCN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115597918 401833542 /nfs/dbraw/zinc/83/35/42/401833542.db2.gz KGZZBVNXWXYZHJ-GOSISDBHSA-N 0 3 323.396 2.316 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000085390311 401915270 /nfs/dbraw/zinc/91/52/70/401915270.db2.gz KODPIEWNIXSFSE-BBRMVZONSA-N 0 3 300.406 2.040 20 30 DEEDHN CC#CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000135962537 401956070 /nfs/dbraw/zinc/95/60/70/401956070.db2.gz HUBPNJZIXKGGKH-UHFFFAOYSA-N 0 3 313.445 2.360 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC1 ZINC000045459151 401957742 /nfs/dbraw/zinc/95/77/42/401957742.db2.gz HJBCHJIEJUAHDG-UHFFFAOYSA-N 0 3 300.406 2.041 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCc1cccc(C#N)c1 ZINC000046039535 401964899 /nfs/dbraw/zinc/96/48/99/401964899.db2.gz ITCMFBACXKLMRM-UHFFFAOYSA-N 0 3 302.422 2.287 20 30 DEEDHN CC1CCN(CCNC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000046369801 401969687 /nfs/dbraw/zinc/96/96/87/401969687.db2.gz CJWCLHWMSGWGMT-UHFFFAOYSA-N 0 3 314.433 2.432 20 30 DEEDHN C=CCCOCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090883891 401989007 /nfs/dbraw/zinc/98/90/07/401989007.db2.gz JGRVAILMSUIWPT-LBPRGKRZSA-N 0 3 315.410 2.473 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(C#N)cc1 ZINC000151219827 402024209 /nfs/dbraw/zinc/02/42/09/402024209.db2.gz QOLLLCKEKOPSKO-UHFFFAOYSA-N 0 3 308.385 2.331 20 30 DEEDHN C=CCN(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000121457928 402037328 /nfs/dbraw/zinc/03/73/28/402037328.db2.gz CCVACHRKBZTODO-UHFFFAOYSA-N 0 3 315.417 2.255 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000054984882 402073945 /nfs/dbraw/zinc/07/39/45/402073945.db2.gz RPWIVUNGRBUZGU-SFHVURJKSA-N 0 3 324.428 2.349 20 30 DEEDHN C=CCN1CCC(N[C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000122377752 402075701 /nfs/dbraw/zinc/07/57/01/402075701.db2.gz WGTMDXXEKNEIRS-OAHLLOKOSA-N 0 3 322.474 2.089 20 30 DEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cn1 ZINC000097261710 402120262 /nfs/dbraw/zinc/12/02/62/402120262.db2.gz ZRSIPGSKRBFXHS-GFCCVEGCSA-N 0 3 306.325 2.467 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1Cc1ccccc1 ZINC000122495901 402081719 /nfs/dbraw/zinc/08/17/19/402081719.db2.gz ONTMYRKLJJXCDQ-BBRMVZONSA-N 0 3 308.385 2.279 20 30 DEEDHN Clc1cccc(C#CCN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000153473068 402147572 /nfs/dbraw/zinc/14/75/72/402147572.db2.gz ZQQROAMHIJJBJN-QGZVFWFLSA-N 0 3 318.848 2.346 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000124456635 402180444 /nfs/dbraw/zinc/18/04/44/402180444.db2.gz GTZDGAIMOBWCAP-QGZVFWFLSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000107905204 402243239 /nfs/dbraw/zinc/24/32/39/402243239.db2.gz FIDAGZVIRVPLRP-UHFFFAOYSA-N 0 3 312.417 2.398 20 30 DEEDHN C#CCNC(=O)[C@@H](C)NCC1(c2cccc(OC)c2)CCCC1 ZINC000108407194 402253156 /nfs/dbraw/zinc/25/31/56/402253156.db2.gz DZGCBMAGSXIOHM-OAHLLOKOSA-N 0 3 314.429 2.235 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000108588713 402258153 /nfs/dbraw/zinc/25/81/53/402258153.db2.gz PGOFHQLERNSBLO-MRXNPFEDSA-N 0 3 300.406 2.041 20 30 DEEDHN N#CC(C(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000155706727 402265487 /nfs/dbraw/zinc/26/54/87/402265487.db2.gz WFSRVUYVXYMUSB-ZETCQYMHSA-N 0 3 311.185 2.386 20 30 DEEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3ncnn3C2)c1 ZINC000105906130 402210536 /nfs/dbraw/zinc/21/05/36/402210536.db2.gz ZNWXXJHIFKPYAJ-OAHLLOKOSA-N 0 3 311.389 2.065 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2cccc(OC)c2)CC1 ZINC000106040825 402211961 /nfs/dbraw/zinc/21/19/61/402211961.db2.gz MSACUUSRRQYEPN-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCOc1ccccc1CNC[C@H]1CN(C2CC2)CCO1 ZINC000106380285 402213020 /nfs/dbraw/zinc/21/30/20/402213020.db2.gz FZCGEHBPHOKVQF-KRWDZBQOSA-N 0 3 302.418 2.204 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](N(C)C)C2)c1C ZINC000109804664 402275711 /nfs/dbraw/zinc/27/57/11/402275711.db2.gz RPDWOJMWSPREDY-MRXNPFEDSA-N 0 3 303.450 2.500 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1Cc1ccccc1 ZINC000176121560 402280552 /nfs/dbraw/zinc/28/05/52/402280552.db2.gz SKXHKGSELOLWAN-GOEBONIOSA-N 0 3 317.458 2.412 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2c(OC)cccc2OC)CC1 ZINC000176532642 402317949 /nfs/dbraw/zinc/31/79/49/402317949.db2.gz CICMWAIJVGTMEQ-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN CC(C)(C)[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CCO1 ZINC000329908366 404491092 /nfs/dbraw/zinc/49/10/92/404491092.db2.gz UILSFHWIOKLVLR-KBPBESRZSA-N 0 3 320.437 2.106 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161233848 402378866 /nfs/dbraw/zinc/37/88/66/402378866.db2.gz FHZGFESFCIBORY-OAHLLOKOSA-N 0 3 324.428 2.079 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161406984 402386600 /nfs/dbraw/zinc/38/66/00/402386600.db2.gz WYMMHFAAADKSBY-INIZCTEOSA-N 0 3 307.401 2.476 20 30 DEEDHN C=CCCCN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000177465714 402405577 /nfs/dbraw/zinc/40/55/77/402405577.db2.gz UKQZHFAPEIGPGC-CQSZACIVSA-N 0 3 308.426 2.251 20 30 DEEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000186370476 402425589 /nfs/dbraw/zinc/42/55/89/402425589.db2.gz VAMJFBRZONAZAJ-UXLLHSPISA-N 0 3 309.454 2.224 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N(C)CCN(C)C1CC1 ZINC000186771968 402463590 /nfs/dbraw/zinc/46/35/90/402463590.db2.gz XPNFMVMOWOEBEG-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000186803836 402464625 /nfs/dbraw/zinc/46/46/25/402464625.db2.gz HSIFETYWVSZGBE-UHFFFAOYSA-N 0 3 317.458 2.344 20 30 DEEDHN C=CCCS(=O)(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000178295528 402481041 /nfs/dbraw/zinc/48/10/41/402481041.db2.gz QFQQGEJXMQFATJ-UHFFFAOYSA-N 0 3 322.474 2.189 20 30 DEEDHN CC1(C)[C@@H]2CN([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000246509778 402534530 /nfs/dbraw/zinc/53/45/30/402534530.db2.gz QPGBJQQBDSNLAT-XQQFMLRXSA-N 0 3 301.415 2.313 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)CC)c2)CC1 ZINC000171717903 402614383 /nfs/dbraw/zinc/61/43/83/402614383.db2.gz WHUJFJQVVVBIPY-UHFFFAOYSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(OCC)cc2)CC1 ZINC000171725678 402614986 /nfs/dbraw/zinc/61/49/86/402614986.db2.gz OQNPRIVERHBHSJ-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000171724956 402615068 /nfs/dbraw/zinc/61/50/68/402615068.db2.gz PINREQFATUYRKM-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc([C@@H](C)O)cc2)CC1 ZINC000171729665 402615718 /nfs/dbraw/zinc/61/57/18/402615718.db2.gz RPPAITNLQIYZMT-CQSZACIVSA-N 0 3 317.433 2.190 20 30 DEEDHN CN(C)CCOc1cccc(CNC(=O)NCCCCC#N)c1 ZINC000171739176 402616889 /nfs/dbraw/zinc/61/68/89/402616889.db2.gz ZMTKUGFVYXAFCJ-UHFFFAOYSA-N 0 3 318.421 2.120 20 30 DEEDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191293458 402658088 /nfs/dbraw/zinc/65/80/88/402658088.db2.gz TYYAMGWYAJMIOI-ZBFHGGJFSA-N 0 3 316.449 2.414 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](COCC)C2)CC1 ZINC000172227279 402646317 /nfs/dbraw/zinc/64/63/17/402646317.db2.gz KNGJHRFMVGCVNV-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000192192558 402716596 /nfs/dbraw/zinc/71/65/96/402716596.db2.gz LATPZXFAMDTEQK-HIFRSBDPSA-N 0 3 306.431 2.125 20 30 DEEDHN COC(=O)[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000191805712 402693638 /nfs/dbraw/zinc/69/36/38/402693638.db2.gz HUVJSGJMUGNUAA-BBRMVZONSA-N 0 3 302.374 2.068 20 30 DEEDHN N#C[C@]1(NC(=O)C2CCN(C3CC3)CC2)CCc2ccccc2C1 ZINC000192844173 402753457 /nfs/dbraw/zinc/75/34/57/402753457.db2.gz DDXZMXCZEPTPRG-FQEVSTJZSA-N 0 3 323.440 2.428 20 30 DEEDHN Cc1[nH]ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000175911777 402841938 /nfs/dbraw/zinc/84/19/38/402841938.db2.gz NAYFUPCILBQXEK-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN N#C[C@H]1CCC[C@H](NCc2cccc(N3CCOCC3)n2)C1 ZINC000278680445 402869706 /nfs/dbraw/zinc/86/97/06/402869706.db2.gz JUZGBPMSSZFVSE-GJZGRUSLSA-N 0 3 300.406 2.090 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000278827840 402875868 /nfs/dbraw/zinc/87/58/68/402875868.db2.gz JKFPCSBVQCADIJ-IEZWGBDMSA-N 0 3 316.445 2.483 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCC[C@H](C)O)C(C)C ZINC000279156749 402910137 /nfs/dbraw/zinc/91/01/37/402910137.db2.gz DEROFPLZNUJJNL-JKSUJKDBSA-N 0 3 311.470 2.145 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000265352487 402912461 /nfs/dbraw/zinc/91/24/61/402912461.db2.gz DLORKHHIMDCWQO-JOCHJYFZSA-N 0 3 321.446 2.196 20 30 DEEDHN Cn1cc(CN2CCC[C@H](CO)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272275815 402917545 /nfs/dbraw/zinc/91/75/45/402917545.db2.gz MANOXNADHJDJSL-HNNXBMFYSA-N 0 3 310.401 2.163 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000279268575 402924782 /nfs/dbraw/zinc/92/47/82/402924782.db2.gz IXSUQTRILUVKGR-IKGGRYGDSA-N 0 3 309.369 2.020 20 30 DEEDHN CN(CCOc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280480965 403003783 /nfs/dbraw/zinc/00/37/83/403003783.db2.gz LJIWMBOFOBEUCM-SFHVURJKSA-N 0 3 323.396 2.486 20 30 DEEDHN Cc1c([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cnn1C ZINC000280482966 403004353 /nfs/dbraw/zinc/00/43/53/403004353.db2.gz PTHYSMDKQDCUTN-WBMJQRKESA-N 0 3 321.384 2.160 20 30 DEEDHN C#CCN(C(=O)NCCCN1CCc2ccccc2C1)C1CC1 ZINC000274148741 403031235 /nfs/dbraw/zinc/03/12/35/403031235.db2.gz SACRMCOXBUWGAG-UHFFFAOYSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](CSc2ccccc2)C1 ZINC000266524121 402970881 /nfs/dbraw/zinc/97/08/81/402970881.db2.gz ASZXODGEYOGIAM-GJZGRUSLSA-N 0 3 302.443 2.239 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000268522443 403091578 /nfs/dbraw/zinc/09/15/78/403091578.db2.gz CCKBIURUJWPOPM-QGZVFWFLSA-N 0 3 302.418 2.208 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000281536694 403070622 /nfs/dbraw/zinc/07/06/22/403070622.db2.gz KFJHPFRNQNOYKV-JKSUJKDBSA-N 0 3 319.368 2.157 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)[C@]12CCCO2 ZINC000281633833 403077088 /nfs/dbraw/zinc/07/70/88/403077088.db2.gz IKVCTOOWLBHKQF-RCCFBDPRSA-N 0 3 316.401 2.383 20 30 DEEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@H](CO)C2CC2)C1=O ZINC000281914498 403103937 /nfs/dbraw/zinc/10/39/37/403103937.db2.gz GTQWIGSOBATYDZ-QZTJIDSGSA-N 0 3 314.429 2.046 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000268683333 403105913 /nfs/dbraw/zinc/10/59/13/403105913.db2.gz XUQCFSPXPHEQFI-KRWDZBQOSA-N 0 3 320.408 2.301 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000268690925 403106748 /nfs/dbraw/zinc/10/67/48/403106748.db2.gz ZYOKOKQBOHOHRH-OAHLLOKOSA-N 0 3 315.417 2.294 20 30 DEEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282246795 403136198 /nfs/dbraw/zinc/13/61/98/403136198.db2.gz JICHDCUAWVSRJA-INIZCTEOSA-N 0 3 315.417 2.305 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000269409978 403137236 /nfs/dbraw/zinc/13/72/36/403137236.db2.gz IWTNGOXFNWWRRK-HIFRSBDPSA-N 0 3 303.381 2.434 20 30 DEEDHN N#C[C@H]1CCC[C@@H](NCCS(=O)(=O)CCc2ccccc2)C1 ZINC000282467507 403154985 /nfs/dbraw/zinc/15/49/85/403154985.db2.gz LKGDOQIOUZQTSW-DLBZAZTESA-N 0 3 320.458 2.316 20 30 DEEDHN C=CCN1CCC(Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000283745041 403219737 /nfs/dbraw/zinc/21/97/37/403219737.db2.gz JTZRHMOQZSYYDT-UHFFFAOYSA-N 0 3 301.350 2.111 20 30 DEEDHN CC#CC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000283326113 403189322 /nfs/dbraw/zinc/18/93/22/403189322.db2.gz WFOIAOHVNMEPFE-UHFFFAOYSA-N 0 3 314.429 2.197 20 30 DEEDHN C#CCCCN(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000270983321 403249114 /nfs/dbraw/zinc/24/91/14/403249114.db2.gz COUMINKBQZNETC-KRWDZBQOSA-N 0 3 316.401 2.154 20 30 DEEDHN C=CCOc1ccc(CNCC2(O)CC(OCC)C2)cc1OC ZINC000277748940 403252588 /nfs/dbraw/zinc/25/25/88/403252588.db2.gz QPYLGXRFCXITMV-UHFFFAOYSA-N 0 3 321.417 2.280 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284354007 403265451 /nfs/dbraw/zinc/26/54/51/403265451.db2.gz NMSREQXRTSIICD-KRWDZBQOSA-N 0 3 320.433 2.397 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCC1(O)CCC1)C(C)C ZINC000285013891 403276900 /nfs/dbraw/zinc/27/69/00/403276900.db2.gz RMTWIFRHPDVJGX-MRXNPFEDSA-N 0 3 323.481 2.289 20 30 DEEDHN C[C@@H]1C[C@@H](CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000339089653 403349810 /nfs/dbraw/zinc/34/98/10/403349810.db2.gz BOTFQBJKZPHUIJ-IARIHHJXSA-N 0 3 315.417 2.268 20 30 DEEDHN 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317.433 2.405 20 30 DEEDHN CC(C)[C@H](NCC(=O)Nc1ccc(C#N)cc1)C1(CO)CCC1 ZINC000339732345 403432367 /nfs/dbraw/zinc/43/23/67/403432367.db2.gz RZFORVTYFRIDPD-KRWDZBQOSA-N 0 3 315.417 2.274 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000345676740 403432549 /nfs/dbraw/zinc/43/25/49/403432549.db2.gz VHEOKXRSPJCJGA-NXEZZACHSA-N 0 3 311.179 2.492 20 30 DEEDHN COC(=O)C1CCN(CCCNc2ccc(C#N)cc2)CC1 ZINC000298718378 403447136 /nfs/dbraw/zinc/44/71/36/403447136.db2.gz NHDRBKMGMSFGMM-UHFFFAOYSA-N 0 3 301.390 2.245 20 30 DEEDHN COc1ccccc1O[C@H]1CCCN(CCOCCC#N)C1 ZINC000293427634 403469420 /nfs/dbraw/zinc/46/94/20/403469420.db2.gz AVXOKBKZPYJVNX-HNNXBMFYSA-N 0 3 304.390 2.469 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1cnn(C)c1)C(C)C ZINC000299131242 403529566 /nfs/dbraw/zinc/52/95/66/403529566.db2.gz MPURBCZVLYGTJH-QGZVFWFLSA-N 0 3 318.465 2.168 20 30 DEEDHN CC#CC[C@H](N)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC001574962443 1069309532 /nfs/dbraw/zinc/30/95/32/1069309532.db2.gz 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ZINC000351913056 404001062 /nfs/dbraw/zinc/00/10/62/404001062.db2.gz OTOKQTIGMWRJNR-HNNXBMFYSA-N 0 3 324.465 2.465 20 30 DEEDHN C=CCOCCCN(C)CCN1CCN(c2ccccc2)CC1 ZINC000348024491 404009685 /nfs/dbraw/zinc/00/96/85/404009685.db2.gz CBTZLHADUROGNI-UHFFFAOYSA-N 0 3 317.477 2.333 20 30 DEEDHN N#Cc1ccc(F)c(CN2CC[C@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411967293 404035139 /nfs/dbraw/zinc/03/51/39/404035139.db2.gz HYBRLRHIODGKCN-LJQANCHMSA-N 0 3 323.371 2.326 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)c(F)c1 ZINC000411967793 404035178 /nfs/dbraw/zinc/03/51/78/404035178.db2.gz IMQLNTVSEWKWIN-IBGZPJMESA-N 0 3 323.371 2.326 20 30 DEEDHN C=CCOc1cccc(CNC[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290046291 404017294 /nfs/dbraw/zinc/01/72/94/404017294.db2.gz GECQBBRHJMDCDS-OAHLLOKOSA-N 0 3 309.431 2.166 20 30 DEEDHN C=CCOCCCN1CC[C@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000348061471 404026428 /nfs/dbraw/zinc/02/64/28/404026428.db2.gz YQUSGQILNMBOHV-HNNXBMFYSA-N 0 3 322.453 2.292 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(C#N)c2)cc1 ZINC000348069607 404030005 /nfs/dbraw/zinc/03/00/05/404030005.db2.gz KMAUEPVTPMBNDC-GOSISDBHSA-N 0 3 314.348 2.429 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2cc(F)cc(F)c2)CC1 ZINC000290259651 404102058 /nfs/dbraw/zinc/10/20/58/404102058.db2.gz OCUWPOWQPROGKE-UHFFFAOYSA-N 0 3 310.344 2.110 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363137135 404089067 /nfs/dbraw/zinc/08/90/67/404089067.db2.gz UFZSJUPHFMAORL-HOTGVXAUSA-N 0 3 318.465 2.098 20 30 DEEDHN C[C@H]1CC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)=NO1 ZINC000363146034 404091516 /nfs/dbraw/zinc/09/15/16/404091516.db2.gz VTENVOCWSMNHCB-GXTWGEPZSA-N 0 3 319.380 2.276 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411975573 404039749 /nfs/dbraw/zinc/03/97/49/404039749.db2.gz VJYFFRWCXCWKFH-IBGZPJMESA-N 0 3 305.381 2.187 20 30 DEEDHN CO[C@](C)([C@H](C)NCC(=O)Nc1sccc1C#N)C1CC1 ZINC000411978435 404040551 /nfs/dbraw/zinc/04/05/51/404040551.db2.gz YXFZWXWKDKFDNF-ZUZCIYMTSA-N 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/nfs/dbraw/zinc/14/39/28/404143928.db2.gz KRZYUXPZIUMDSP-MRXNPFEDSA-N 0 3 317.433 2.362 20 30 DEEDHN N#CCN1CCC[C@H](CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000328710216 404136518 /nfs/dbraw/zinc/13/65/18/404136518.db2.gz QZDGMIPZUXKXSR-CQSZACIVSA-N 0 3 304.438 2.053 20 30 DEEDHN CN(C)CC1(NC(=O)c2coc(C3CCOCC3)n2)CCC1 ZINC000328806532 404154481 /nfs/dbraw/zinc/15/44/81/404154481.db2.gz NKVOFHGJNMTEQV-UHFFFAOYSA-N 0 3 307.394 2.358 20 30 DEEDHN C=CCNc1ncc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)s1 ZINC000290465251 404180245 /nfs/dbraw/zinc/18/02/45/404180245.db2.gz LMVUCYRNAVGNRV-CHWSQXEVSA-N 0 3 320.462 2.440 20 30 DEEDHN N#CC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccncn1 ZINC000352326031 404291274 /nfs/dbraw/zinc/29/12/74/404291274.db2.gz ABNZIIKFCNDNHY-SECBINFHSA-N 0 3 317.692 2.284 20 30 DEEDHN C[C@H](NC(=O)NC[C@]1(C)CCCC[C@@H]1O)C1=CCN(C)CC1 ZINC000329292356 404292829 /nfs/dbraw/zinc/29/28/29/404292829.db2.gz IYNMCZYASYVHDH-QRTARXTBSA-N 0 3 309.454 2.082 20 30 DEEDHN COc1cnc(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)s1 ZINC000329236708 404274471 /nfs/dbraw/zinc/27/44/71/404274471.db2.gz JQVKWYCKUQMUPK-MNOVXSKESA-N 0 3 310.423 2.256 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(Cl)s1 ZINC000296497974 404276791 /nfs/dbraw/zinc/27/67/91/404276791.db2.gz XUMNJVQIPOJUMC-UHFFFAOYSA-N 0 3 313.854 2.198 20 30 DEEDHN Cc1cc(CNCCc2nnnn2-c2ccccc2)ccc1C#N ZINC000337865199 404282500 /nfs/dbraw/zinc/28/25/00/404282500.db2.gz NXJGWUDGNGFOQQ-UHFFFAOYSA-N 0 3 318.384 2.175 20 30 DEEDHN COc1ccc(CN(C)C2CC(O)C2)cc1OCCCC#N ZINC000355364287 404328886 /nfs/dbraw/zinc/32/88/86/404328886.db2.gz LDQWJHRBJJKCAL-UHFFFAOYSA-N 0 3 304.390 2.333 20 30 DEEDHN CC(C)Oc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000329298549 404295277 /nfs/dbraw/zinc/29/52/77/404295277.db2.gz LLLKQJGEXLBIBX-CQSZACIVSA-N 0 3 318.421 2.109 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000329307865 404296940 /nfs/dbraw/zinc/29/69/40/404296940.db2.gz YPBYLBIBSNYQIF-DGCLKSJQSA-N 0 3 301.394 2.002 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cc1c(F)cccc1C#N ZINC000350034031 404299803 /nfs/dbraw/zinc/29/98/03/404299803.db2.gz KFQHFWUUOXGTHB-KBPBESRZSA-N 0 3 317.408 2.476 20 30 DEEDHN CC#CCCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000355713804 404363635 /nfs/dbraw/zinc/36/36/35/404363635.db2.gz MACQARHYKYENAH-UHFFFAOYSA-N 0 3 324.428 2.255 20 30 DEEDHN C[C@@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000412642669 404380311 /nfs/dbraw/zinc/38/03/11/404380311.db2.gz BJAAEBPYLJWXBB-OSRSDYAFSA-N 0 3 311.385 2.170 20 30 DEEDHN CC[C@H](C[C@H](C)CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350474555 404396766 /nfs/dbraw/zinc/39/67/66/404396766.db2.gz HELFURUMYMWVMO-RRQGHBQHSA-N 0 3 313.401 2.154 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000356197103 404400068 /nfs/dbraw/zinc/40/00/68/404400068.db2.gz CUSBEFFLWPUHDO-LALPHHSUSA-N 0 3 317.364 2.154 20 30 DEEDHN C[C@@H](C(=O)NCCn1cnnc1C1CC1)N1CCCCCC1 ZINC000329925350 404497341 /nfs/dbraw/zinc/49/73/41/404497341.db2.gz VKHPEGJCSDERPF-ZDUSSCGKSA-N 0 3 305.426 2.377 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356304084 404437507 /nfs/dbraw/zinc/43/75/07/404437507.db2.gz UDUSSKHHVMRLSZ-GOSISDBHSA-N 0 3 315.417 2.204 20 30 DEEDHN C[C@H](CC(N)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000344905796 404437601 /nfs/dbraw/zinc/43/76/01/404437601.db2.gz WLFUKPYNWDDQHG-CQSZACIVSA-N 0 3 323.396 2.491 20 30 DEEDHN C=CCn1c([C@H]2OCC[C@H]2C)nnc1N1CCCN(CC)CC1 ZINC000350753100 404463520 /nfs/dbraw/zinc/46/35/20/404463520.db2.gz WIFPGQFBZZALBL-CABCVRRESA-N 0 3 319.453 2.094 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000291796342 404526137 /nfs/dbraw/zinc/52/61/37/404526137.db2.gz WQZVSRCHJJBERB-IAGOWNOFSA-N 0 3 321.442 2.144 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)nc(C)n1 ZINC000342444264 404581360 /nfs/dbraw/zinc/58/13/60/404581360.db2.gz XJTCWMBJIXVGKQ-CQSZACIVSA-N 0 3 318.340 2.369 20 30 DEEDHN CN(C)[C@@H]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330027661 404531099 /nfs/dbraw/zinc/53/10/99/404531099.db2.gz NILHBEVHRQDFRB-YMAMQOFZSA-N 0 3 307.438 2.074 20 30 DEEDHN O=C(NCCc1nnc2n1CCC2)[C@H]1CCCN1C1CCCC1 ZINC000330096141 404549344 /nfs/dbraw/zinc/54/93/44/404549344.db2.gz WWCHXLQKYWRJPS-CQSZACIVSA-N 0 3 317.437 2.130 20 30 DEEDHN Cc1nnccc1NC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000330146046 404564901 /nfs/dbraw/zinc/56/49/01/404564901.db2.gz HSWQXLQZXRORSG-BXUZGUMPSA-N 0 3 300.366 2.110 20 30 DEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1O ZINC000351413521 404578928 /nfs/dbraw/zinc/57/89/28/404578928.db2.gz LYEUDPLWQXWOHQ-BBWFWOEESA-N 0 3 311.385 2.002 20 30 DEEDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000330273250 404609509 /nfs/dbraw/zinc/60/95/09/404609509.db2.gz YXELEJKCJQJEQJ-DOMZBBRYSA-N 0 3 309.435 2.361 20 30 DEEDHN N#CCCCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000292016072 404628256 /nfs/dbraw/zinc/62/82/56/404628256.db2.gz YTGUCHWYGYJQTM-QGZVFWFLSA-N 0 3 315.417 2.088 20 30 DEEDHN Cn1cc([C@H]2OCC[C@@H]2C(=O)NCCN2CCCCCC2)cn1 ZINC000330344718 404631855 /nfs/dbraw/zinc/63/18/55/404631855.db2.gz DHAKUAMHIPHLBG-JKSUJKDBSA-N 0 3 320.437 2.330 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330350627 404633618 /nfs/dbraw/zinc/63/36/18/404633618.db2.gz LHXPAKXWDXCAER-CHWSQXEVSA-N 0 3 306.410 2.093 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1c[nH]nc1[C@H]1CCOC1 ZINC000330352666 404635254 /nfs/dbraw/zinc/63/52/54/404635254.db2.gz NPIFPINFCGWEIH-QWHCGFSZSA-N 0 3 318.421 2.235 20 30 DEEDHN C=CCOc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1OC ZINC000414559433 404680759 /nfs/dbraw/zinc/68/07/59/404680759.db2.gz PTCMOVWPPHFGED-HZPDHXFCSA-N 0 3 321.417 2.137 20 30 DEEDHN CN(C)[C@@H](CNS(=O)(=O)CCCCC#N)C1CCCCC1 ZINC000353057944 404733733 /nfs/dbraw/zinc/73/37/33/404733733.db2.gz XOEHLTTXAURXGC-HNNXBMFYSA-N 0 3 315.483 2.110 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CCCCO2)CC1 ZINC000358198531 404756334 /nfs/dbraw/zinc/75/63/34/404756334.db2.gz GOGNIJVLMPBOMB-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN NC(C(=O)NCc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000353171043 404760484 /nfs/dbraw/zinc/76/04/84/404760484.db2.gz AWRFNFONTFWQCU-MRVPVSSYSA-N 0 3 318.192 2.350 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000358519678 404765244 /nfs/dbraw/zinc/76/52/44/404765244.db2.gz MOCJLGJGHLWSMO-OIISXLGYSA-N 0 3 314.433 2.418 20 30 DEEDHN CC[C@H](COC)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356854247 404708532 /nfs/dbraw/zinc/70/85/32/404708532.db2.gz UFVZMVKZFKXAFO-ZBFHGGJFSA-N 0 3 301.390 2.068 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)CCSC)cc1 ZINC000353003096 404717208 /nfs/dbraw/zinc/71/72/08/404717208.db2.gz XTOJXSJBPYBUKY-CYBMUJFWSA-N 0 3 322.434 2.013 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000357098250 404728032 /nfs/dbraw/zinc/72/80/32/404728032.db2.gz CNQRVRIRYVPKNC-INIZCTEOSA-N 0 3 321.465 2.276 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415020442 404789358 /nfs/dbraw/zinc/78/93/58/404789358.db2.gz GGRUMRXQYDDDJB-ZDUSSCGKSA-N 0 3 315.417 2.132 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000359691767 404802797 /nfs/dbraw/zinc/80/27/97/404802797.db2.gz WSLZRDWYZINHGC-QGZVFWFLSA-N 0 3 320.458 2.419 20 30 DEEDHN N#CCSCCCN1CCC(c2nnc3n2CCCC3)CC1 ZINC000360783128 404837586 /nfs/dbraw/zinc/83/75/86/404837586.db2.gz SAICQEDYUFLIIY-UHFFFAOYSA-N 0 3 319.478 2.441 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H]1CCN(CCc2ccccc2)C1 ZINC000366666432 404828071 /nfs/dbraw/zinc/82/80/71/404828071.db2.gz PXJZENVRRVHRIS-QGZVFWFLSA-N 0 3 322.474 2.047 20 30 DEEDHN N#Cc1cc2c(nc1NC[C@H]1CN3CCC[C@@H]3CO1)CCCC2 ZINC000377167878 404834254 /nfs/dbraw/zinc/83/42/54/404834254.db2.gz GMWUMTICMNOHDV-CVEARBPZSA-N 0 3 312.417 2.107 20 30 DEEDHN CC(C)Oc1ccc(NC(=O)N2CCCNCC2)cc1C#N ZINC000415303499 404843377 /nfs/dbraw/zinc/84/33/77/404843377.db2.gz FGKWPMLEMBKNBR-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000366859927 404859982 /nfs/dbraw/zinc/85/99/82/404859982.db2.gz AHGQOFBGKZXBOG-QGZVFWFLSA-N 0 3 322.474 2.394 20 30 DEEDHN COCC1(O)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000353849717 404969288 /nfs/dbraw/zinc/96/92/88/404969288.db2.gz YVJOORDLURVXAX-UHFFFAOYSA-N 0 3 318.417 2.342 20 30 DEEDHN CCOc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424091408 405003274 /nfs/dbraw/zinc/00/32/74/405003274.db2.gz DNMWORFVDVWIDB-OCCSQVGLSA-N 0 3 319.405 2.292 20 30 DEEDHN C=CCN(CCN1CCCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000361287928 405008771 /nfs/dbraw/zinc/00/87/71/405008771.db2.gz MLVVBPSYZMJTLR-UHFFFAOYSA-N 0 3 319.405 2.305 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000424109759 405009558 /nfs/dbraw/zinc/00/95/58/405009558.db2.gz BPFVUJOXHQZDMK-HRCADAONSA-N 0 3 301.390 2.044 20 30 DEEDHN CSc1cc2c(cc1NC(=O)[C@H](N)CCCC#N)OCCO2 ZINC000424115458 405011901 /nfs/dbraw/zinc/01/19/01/405011901.db2.gz VFKLMNCMILMVIW-SNVBAGLBSA-N 0 3 321.402 2.139 20 30 DEEDHN Cc1ccnc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)n1 ZINC000424117608 405012900 /nfs/dbraw/zinc/01/29/00/405012900.db2.gz CRUOZBIRPPECGY-HNNXBMFYSA-N 0 3 309.373 2.412 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000424124498 405014122 /nfs/dbraw/zinc/01/41/22/405014122.db2.gz OYELJRPDTIZGNI-TUAOUCFPSA-N 0 3 305.344 2.492 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)C[C@@H](c2ccsc2)O1 ZINC000424123004 405014181 /nfs/dbraw/zinc/01/41/81/405014181.db2.gz JNAFHUFOZFPSKO-BNOWGMLFSA-N 0 3 307.419 2.058 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000424124500 405014243 /nfs/dbraw/zinc/01/42/43/405014243.db2.gz OYELJRPDTIZGNI-UTUOFQBUSA-N 0 3 305.344 2.492 20 30 DEEDHN CCN(CC)[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccsc1 ZINC000424126951 405015516 /nfs/dbraw/zinc/01/55/16/405015516.db2.gz CIVQDZWMSRDSFM-HUUCEWRRSA-N 0 3 322.478 2.268 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000424133732 405016483 /nfs/dbraw/zinc/01/64/83/405016483.db2.gz ZVZSMTJWYBLWAS-SJORKVTESA-N 0 3 315.417 2.073 20 30 DEEDHN CC(C)COc1ccc(CCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424133997 405017081 /nfs/dbraw/zinc/01/70/81/405017081.db2.gz HJRVELPFHRDNIV-KRWDZBQOSA-N 0 3 317.433 2.401 20 30 DEEDHN Cc1csc([C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)n1 ZINC000424159421 405025506 /nfs/dbraw/zinc/02/55/06/405025506.db2.gz SRGNLXSALJNKTM-CHWSQXEVSA-N 0 3 306.435 2.179 20 30 DEEDHN CCc1cc(=O)c2cc(NC(=O)[C@H](N)CCCC#N)ccc2[nH]1 ZINC000424173474 405029842 /nfs/dbraw/zinc/02/98/42/405029842.db2.gz PYSOXQDFFXYSFT-CQSZACIVSA-N 0 3 312.373 2.050 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCC[C@H]1C(=O)OCC ZINC000451771553 405030932 /nfs/dbraw/zinc/03/09/32/405030932.db2.gz HGJYWXNBNXSWHI-ZNMIVQPWSA-N 0 3 310.438 2.121 20 30 DEEDHN CCOc1cc(Cl)ccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424176167 405031083 /nfs/dbraw/zinc/03/10/83/405031083.db2.gz RNWVGXKYTSZKBO-ZDUSSCGKSA-N 0 3 309.797 2.376 20 30 DEEDHN C[C@H](CCNS(=O)(=O)CC(C)(C)CC#N)N1CCCCC1 ZINC000451396313 404979066 /nfs/dbraw/zinc/97/90/66/404979066.db2.gz RZFWXGOTLRZJJI-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN C#C[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000367527362 405074447 /nfs/dbraw/zinc/07/44/47/405074447.db2.gz NJSMNSKTNNMKSS-UKRRQHHQSA-N 0 3 306.356 2.282 20 30 DEEDHN COCC1(C#N)CCN(C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424428358 405091646 /nfs/dbraw/zinc/09/16/46/405091646.db2.gz SKADKVIULNPWFR-UHFFFAOYSA-N 0 3 316.405 2.238 20 30 DEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000417917703 405103992 /nfs/dbraw/zinc/10/39/92/405103992.db2.gz OJDMTMCMFNLHEX-LZWOXQAQSA-N 0 3 300.406 2.423 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000408104622 405114023 /nfs/dbraw/zinc/11/40/23/405114023.db2.gz FCFOSHJRMCCSRM-DGCLKSJQSA-N 0 3 318.808 2.305 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC1(O)CCC1)C(C)C ZINC000354254987 405126007 /nfs/dbraw/zinc/12/60/07/405126007.db2.gz MPUCUSBZFDFJHL-MRXNPFEDSA-N 0 3 323.481 2.241 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000452038840 405137628 /nfs/dbraw/zinc/13/76/28/405137628.db2.gz YTTXUPZHORHRGX-HZPDHXFCSA-N 0 3 301.390 2.434 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000424745853 405166869 /nfs/dbraw/zinc/16/68/69/405166869.db2.gz KIMYQBLHMKIKTI-HZPDHXFCSA-N 0 3 307.482 2.073 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1c(F)cccc1C#N ZINC000354378854 405183777 /nfs/dbraw/zinc/18/37/77/405183777.db2.gz FLHGPGFNOHPHBX-ZDUSSCGKSA-N 0 3 317.408 2.429 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](CCCO)C1 ZINC000452131103 405188281 /nfs/dbraw/zinc/18/82/81/405188281.db2.gz OYYITZDHKDTAGA-CQSZACIVSA-N 0 3 304.390 2.040 20 30 DEEDHN COc1ccc(CN2C[C@H](C)[C@@H](CO)C2)cc1OCCCC#N ZINC000361661708 405188627 /nfs/dbraw/zinc/18/86/27/405188627.db2.gz OHEDOWPFRCUAHS-GOEBONIOSA-N 0 3 318.417 2.438 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418759636 405195871 /nfs/dbraw/zinc/19/58/71/405195871.db2.gz KLXWDVZEBWKEOX-LBPRGKRZSA-N 0 3 315.389 2.443 20 30 DEEDHN CS[C@H]1CN(C(=O)c2ccc(C#N)s2)C[C@@H]1N1CCCC1 ZINC000361637911 405175807 /nfs/dbraw/zinc/17/58/07/405175807.db2.gz LBWYULWYGDIBNX-JSGCOSHPSA-N 0 3 321.471 2.272 20 30 DEEDHN C=C[C@@H](CC(=O)NC[C@](C)(O)CCN(C)C)c1ccccc1 ZINC000420010799 405280530 /nfs/dbraw/zinc/28/05/30/405280530.db2.gz HKCGNYCTLQBSQI-MAUKXSAKSA-N 0 3 304.434 2.165 20 30 DEEDHN Cc1cc(NCc2ccc(OCCN(C)C)cc2)c(C#N)cn1 ZINC000425208510 405258266 /nfs/dbraw/zinc/25/82/66/405258266.db2.gz PITJCDKKQUMLKT-UHFFFAOYSA-N 0 3 310.401 2.236 20 30 DEEDHN COc1cc(CNCCNC(=O)c2cccs2)ccc1C#N ZINC000440807416 405327796 /nfs/dbraw/zinc/32/77/96/405327796.db2.gz HXWOICZYUAOKNB-UHFFFAOYSA-N 0 3 315.398 2.148 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@]2(CO)CCC)CC1 ZINC000445077111 405344323 /nfs/dbraw/zinc/34/43/23/405344323.db2.gz CYLIHKAGCJWIOM-SFHVURJKSA-N 0 3 323.481 2.364 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453357569 405291942 /nfs/dbraw/zinc/29/19/42/405291942.db2.gz OQJDLFPUYBPHIE-MAZHCROVSA-N 0 3 324.446 2.442 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)COCC(F)(F)F ZINC000425540190 405299957 /nfs/dbraw/zinc/29/99/57/405299957.db2.gz VCXAPCLFKUINKA-FZMZJTMJSA-N 0 3 316.323 2.491 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(C#N)s1 ZINC000446440432 405382537 /nfs/dbraw/zinc/38/25/37/405382537.db2.gz HEWVYBOJFLGEKN-UHFFFAOYSA-N 0 3 303.387 2.417 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)O[C@@H](CC)C2)CC1 ZINC000420924331 405406326 /nfs/dbraw/zinc/40/63/26/405406326.db2.gz XWTDFYUCGXWTAK-HOTGVXAUSA-N 0 3 309.454 2.236 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)C2CCC2)cc1C#N ZINC000429535208 405434522 /nfs/dbraw/zinc/43/45/22/405434522.db2.gz LLNZMDPPIYAKGH-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@@H](C)C1(OC)CCOCC1 ZINC000421027148 405435245 /nfs/dbraw/zinc/43/52/45/405435245.db2.gz GCQPHRRPHNBYBB-ZDUSSCGKSA-N 0 3 304.390 2.241 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCc2ccccc21 ZINC000429720734 405445217 /nfs/dbraw/zinc/44/52/17/405445217.db2.gz GGMXTFCQPPOCFO-UHFFFAOYSA-N 0 3 301.434 2.015 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455802256 405452101 /nfs/dbraw/zinc/45/21/01/405452101.db2.gz ZZVUOVWOMGCLRZ-UHFFFAOYSA-N 0 3 309.801 2.411 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000456007637 405470025 /nfs/dbraw/zinc/47/00/25/405470025.db2.gz RURCZUFJTOLHMY-INIZCTEOSA-N 0 3 318.446 2.426 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCCc2cccc(C#N)c2)C1 ZINC000458737688 405565493 /nfs/dbraw/zinc/56/54/93/405565493.db2.gz PYZONGDTTUTMPJ-KRWDZBQOSA-N 0 3 314.433 2.225 20 30 DEEDHN CN1CCC(Oc2ccc(CNc3cncc(C#N)n3)cc2)CC1 ZINC000557634753 405614545 /nfs/dbraw/zinc/61/45/45/405614545.db2.gz DACURLJDJNZXFC-UHFFFAOYSA-N 0 3 323.400 2.433 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000528727655 405726059 /nfs/dbraw/zinc/72/60/59/405726059.db2.gz IXHQXBPVXYXNCA-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc1 ZINC000457191397 405744546 /nfs/dbraw/zinc/74/45/46/405744546.db2.gz ZLPHJVOGJULMLC-KRWDZBQOSA-N 0 3 318.380 2.303 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494703176 405750616 /nfs/dbraw/zinc/75/06/16/405750616.db2.gz NDIHRFIXRRBMIJ-ULQDDVLXSA-N 0 3 315.417 2.125 20 30 DEEDHN CC1CC(C#N)(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000583541798 405754663 /nfs/dbraw/zinc/75/46/63/405754663.db2.gz IGYGHGJCKYDSNN-MNQCNDSGSA-N 0 3 313.401 2.132 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)C12CCC2 ZINC000584113937 405828318 /nfs/dbraw/zinc/82/83/18/405828318.db2.gz QEIKQXDSNMAYCI-HUUCEWRRSA-N 0 3 311.389 2.038 20 30 DEEDHN CC(C)N1CCN(CCCn2nc(C#N)c3ccccc32)CC1 ZINC000432477310 405772100 /nfs/dbraw/zinc/77/21/00/405772100.db2.gz PFRVOORUVFSQBA-UHFFFAOYSA-N 0 3 311.433 2.324 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000495417945 405893560 /nfs/dbraw/zinc/89/35/60/405893560.db2.gz GCTDKBLVMNOVRX-ZBFHGGJFSA-N 0 3 302.374 2.182 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000495877517 405938473 /nfs/dbraw/zinc/93/84/73/405938473.db2.gz QUVTYTMRCMSEGX-RKDXNWHRSA-N 0 3 323.315 2.108 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000433222041 405902532 /nfs/dbraw/zinc/90/25/32/405902532.db2.gz STIMRSHMRDCXQH-INIZCTEOSA-N 0 3 309.369 2.479 20 30 DEEDHN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305111 405918626 /nfs/dbraw/zinc/91/86/26/405918626.db2.gz OQIQTMCTEZCSCR-OFQRWUPVSA-N 0 3 315.417 2.178 20 30 DEEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cn2)C1 ZINC000562369955 405995372 /nfs/dbraw/zinc/99/53/72/405995372.db2.gz DAIMDIZOZYFXQA-GDBMZVCRSA-N 0 3 314.433 2.470 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCC2(C#N)CCC2)C[C@@H](C)C1 ZINC000563629305 406061378 /nfs/dbraw/zinc/06/13/78/406061378.db2.gz YCMJVIZJWSIYCH-RRFJBIMHSA-N 0 3 304.438 2.052 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](c3cccnc3)C2)CC1 ZINC000516923513 406110236 /nfs/dbraw/zinc/11/02/36/406110236.db2.gz APIHQFSOWAKPFY-INIZCTEOSA-N 0 3 314.433 2.231 20 30 DEEDHN N#Cc1cccc(C2(C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)c1 ZINC000533259207 406132540 /nfs/dbraw/zinc/13/25/40/406132540.db2.gz QRFCNRGOYYDFGR-QGZVFWFLSA-N 0 3 309.413 2.287 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H](CCO)C3CCCCC3)cnc12 ZINC000567889106 406154660 /nfs/dbraw/zinc/15/46/60/406154660.db2.gz YHLAJOSEBKWQHD-INIZCTEOSA-N 0 3 313.405 2.022 20 30 DEEDHN CN1CC[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1 ZINC000534280028 406176111 /nfs/dbraw/zinc/17/61/11/406176111.db2.gz OPYBMDMWRGBOTP-WCQYABFASA-N 0 3 322.206 2.082 20 30 DEEDHN CC(C)O[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000521231421 406338690 /nfs/dbraw/zinc/33/86/90/406338690.db2.gz KTEREENDJPVOKX-CYBMUJFWSA-N 0 3 307.419 2.448 20 30 DEEDHN C=C[C@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000489424613 406404964 /nfs/dbraw/zinc/40/49/64/406404964.db2.gz KJSRYCRTWXDQGQ-ROUUACIJSA-N 0 3 315.461 2.446 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(C)CCN(C)C1CC1 ZINC000547450028 406411647 /nfs/dbraw/zinc/41/16/47/406411647.db2.gz RQTMIRWLXVXARW-UHFFFAOYSA-N 0 3 302.378 2.125 20 30 DEEDHN Cc1cc(CN2CCN(CC(C)(C)O)C[C@H]2C)ccc1C#N ZINC000488982149 406366440 /nfs/dbraw/zinc/36/64/40/406366440.db2.gz PXLNIZYGWSTTLG-OAHLLOKOSA-N 0 3 301.434 2.144 20 30 DEEDHN CC(C)(C#N)CCN1CCN(CCC(C)(C)C#N)[C@H](CCO)C1 ZINC000521894018 406375367 /nfs/dbraw/zinc/37/53/67/406375367.db2.gz FSNCYGSEICQLNJ-MRXNPFEDSA-N 0 3 320.481 2.235 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCOC2CCCCC2)CC1 ZINC000490555975 406470562 /nfs/dbraw/zinc/47/05/62/406470562.db2.gz OXMRHFPKJVAXMF-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000490574480 406471345 /nfs/dbraw/zinc/47/13/45/406471345.db2.gz YOHVEYRBWWILQF-BBRMVZONSA-N 0 3 300.402 2.364 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000490649192 406479120 /nfs/dbraw/zinc/47/91/20/406479120.db2.gz FZALWPGVOPGWBU-CJNGLKHVSA-N 0 3 318.367 2.282 20 30 DEEDHN CCCO[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000571208963 406490854 /nfs/dbraw/zinc/49/08/54/406490854.db2.gz FWFWJQKIMDGDBR-INIZCTEOSA-N 0 3 313.405 2.382 20 30 DEEDHN C[C@H](NCc1cnc2c(C#N)cnn2c1)[C@H]1COc2ccccc21 ZINC000571524151 406531959 /nfs/dbraw/zinc/53/19/59/406531959.db2.gz RZVFWPKRWVOKMS-BLLLJJGKSA-N 0 3 319.368 2.255 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640447456 406506775 /nfs/dbraw/zinc/50/67/75/406506775.db2.gz QIPSLRPABVIIHO-HNNXBMFYSA-N 0 3 303.406 2.102 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000490984826 406515983 /nfs/dbraw/zinc/51/59/83/406515983.db2.gz IKXAZTUJDGLBOE-KXBFYZLASA-N 0 3 320.477 2.025 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000491462323 406598500 /nfs/dbraw/zinc/59/85/00/406598500.db2.gz ICXNGTPVHOVIKR-HNNXBMFYSA-N 0 3 323.506 2.401 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2CO)cc1 ZINC000527467183 406635776 /nfs/dbraw/zinc/63/57/76/406635776.db2.gz RGAXXRODYYFRJW-GOSISDBHSA-N 0 3 319.364 2.049 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nc2c(s1)CCCC2 ZINC000491496123 406604939 /nfs/dbraw/zinc/60/49/39/406604939.db2.gz NVPKLTLQXCOMCO-UHFFFAOYSA-N 0 3 306.435 2.099 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(SCCOC)cc1 ZINC000491616304 406632862 /nfs/dbraw/zinc/63/28/62/406632862.db2.gz AQSLRLHPMIWVPK-AWEZNQCLSA-N 0 3 320.458 2.215 20 30 DEEDHN C#CCNC(=O)CCNCc1cccc(COc2ccccc2)c1 ZINC000491618746 406634233 /nfs/dbraw/zinc/63/42/33/406634233.db2.gz CWVMLBLIFJNEJF-UHFFFAOYSA-N 0 3 322.408 2.495 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000491371096 406579858 /nfs/dbraw/zinc/57/98/58/406579858.db2.gz CLKBGMQEFSBFRX-WBVHZDCISA-N 0 3 314.433 2.129 20 30 DEEDHN C#CCN(C)CCCNC(=S)NCCCCC(F)(F)F ZINC000491383496 406582230 /nfs/dbraw/zinc/58/22/30/406582230.db2.gz LXARBHSRZSGDBP-UHFFFAOYSA-N 0 3 309.401 2.138 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(SC)cc2)CC1 ZINC000491392742 406584188 /nfs/dbraw/zinc/58/41/88/406584188.db2.gz DXLIJZSMKNHKJT-UHFFFAOYSA-N 0 3 302.443 2.370 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1NCCc2ccccc21)C1CCCC1 ZINC000491405795 406586521 /nfs/dbraw/zinc/58/65/21/406586521.db2.gz KPGFSXYGMLKSKC-SFHVURJKSA-N 0 3 311.429 2.461 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000491690329 406670278 /nfs/dbraw/zinc/67/02/78/406670278.db2.gz LTZUPCFJPUPALU-OAHLLOKOSA-N 0 3 314.433 2.314 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(Br)cc1 ZINC000491702386 406677467 /nfs/dbraw/zinc/67/74/67/406677467.db2.gz GDVNJCZNCYQSTN-AAEUAGOBSA-N 0 3 312.207 2.142 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCSc2ccccc21 ZINC000491640203 406646280 /nfs/dbraw/zinc/64/62/80/406646280.db2.gz YFJXOZBYGVLONH-OAHLLOKOSA-N 0 3 302.443 2.337 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)/C=C\CN(C)C)cc1 ZINC000491873540 406757895 /nfs/dbraw/zinc/75/78/95/406757895.db2.gz USSNWXJDIMEROL-WAYWQWQTSA-N 0 3 302.378 2.050 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)OC)sc2C)CC1 ZINC000491775701 406713060 /nfs/dbraw/zinc/71/30/60/406713060.db2.gz XGXGAAVMVJKJSI-UHFFFAOYSA-N 0 3 320.414 2.127 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000491781607 406717194 /nfs/dbraw/zinc/71/71/94/406717194.db2.gz GKXCJHJYVWZNFD-DZGCQCFKSA-N 0 3 303.406 2.157 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000491805811 406728774 /nfs/dbraw/zinc/72/87/74/406728774.db2.gz PFUXOSVBFZFTKP-CVEARBPZSA-N 0 3 305.397 2.385 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000573953799 406779092 /nfs/dbraw/zinc/77/90/92/406779092.db2.gz NFBWMNSCRPGOME-BBRMVZONSA-N 0 3 301.390 2.045 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cccc(OC)c2)CC1 ZINC000491916178 406776740 /nfs/dbraw/zinc/77/67/40/406776740.db2.gz UZQNMIWREVKSTL-CMDGGOBGSA-N 0 3 312.413 2.312 20 30 DEEDHN CC#CC[C@H](CO)NCc1c(C)nc2scc(C3CC3)n12 ZINC000641767298 406887747 /nfs/dbraw/zinc/88/77/47/406887747.db2.gz IJSJWPRNEYKUJB-CYBMUJFWSA-N 0 3 303.431 2.446 20 30 DEEDHN CC#CC[C@H](CO)NCc1cc(OC)c(OC)cc1SC ZINC000641768589 406888534 /nfs/dbraw/zinc/88/85/34/406888534.db2.gz CTIOBRBLENIMQV-CYBMUJFWSA-N 0 3 309.431 2.290 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000555459557 406843801 /nfs/dbraw/zinc/84/38/01/406843801.db2.gz ZPCQPBULBCBDIW-VNHYZAJKSA-N 0 3 314.433 2.358 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(N)=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000643779389 407045236 /nfs/dbraw/zinc/04/52/36/407045236.db2.gz KCZHMDBTLJFQQQ-SECBINFHSA-N 0 3 322.246 2.017 20 30 DEEDHN C=CCn1cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)nn1 ZINC000648249203 407145455 /nfs/dbraw/zinc/14/54/55/407145455.db2.gz GVSOFUQCOPAPOC-OAHLLOKOSA-N 0 3 323.400 2.089 20 30 DEEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCOC1 ZINC000131206734 196149550 /nfs/dbraw/zinc/14/95/50/196149550.db2.gz PBHJJMNISALNEA-CYBMUJFWSA-N 0 3 310.191 2.340 20 30 DEEDHN N#CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCOCC1 ZINC000265351786 225331853 /nfs/dbraw/zinc/33/18/53/225331853.db2.gz XNKPXWCLFKGDFZ-UHFFFAOYSA-N 0 3 313.401 2.085 20 30 DEEDHN CN(C(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1(C#N)CCCCC1 ZINC000333417233 226105576 /nfs/dbraw/zinc/10/55/76/226105576.db2.gz LEDPCNXQAVEQNT-FVQBIDKESA-N 0 3 319.449 2.074 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccccc2)cc1 ZINC000348007703 226643580 /nfs/dbraw/zinc/64/35/80/226643580.db2.gz WVHFXCHUPMXLGN-QGZVFWFLSA-N 0 3 319.364 2.436 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(Cc2cccnc2)CC1 ZINC000369751364 227039570 /nfs/dbraw/zinc/03/95/70/227039570.db2.gz WHNUXTJXJGJIIW-OAHLLOKOSA-N 0 3 314.433 2.097 20 30 DEEDHN N#CCCn1cc(CNC[C@@H](O)C2CC2)c(-c2ccccc2)n1 ZINC000371658171 227077045 /nfs/dbraw/zinc/07/70/45/227077045.db2.gz WQWOEZINMMFPHD-QGZVFWFLSA-N 0 3 310.401 2.324 20 30 DEEDHN C[C@@H]1C[C@@H](CO)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421935423 230028238 /nfs/dbraw/zinc/02/82/38/230028238.db2.gz AEXURCVCTZOUSI-OIISXLGYSA-N 0 3 300.402 2.236 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccn(C(CC)CC)n2)[C@H]1C ZINC001088899434 782033855 /nfs/dbraw/zinc/03/38/55/782033855.db2.gz GCZZUYBSZALAHQ-ZBFHGGJFSA-N 0 3 316.449 2.460 20 30 DEEDHN Cc1nc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000488100047 421070404 /nfs/dbraw/zinc/07/04/04/421070404.db2.gz SCTIZXOSIIDXSR-ZWKOTPCHSA-N 0 3 322.412 2.309 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)CC1 ZINC000490935228 421194403 /nfs/dbraw/zinc/19/44/03/421194403.db2.gz LVBQFPLACZCYML-CQSZACIVSA-N 0 3 314.433 2.446 20 30 DEEDHN Cc1cc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)ncc1C#N ZINC000603112390 422442913 /nfs/dbraw/zinc/44/29/13/422442913.db2.gz HQVDKNUSGXAYMH-ZFWWWQNUSA-N 0 3 313.405 2.352 20 30 DEEDHN N#CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000525931066 269996196 /nfs/dbraw/zinc/99/61/96/269996196.db2.gz DKINFXYQRJHSTL-KRWDZBQOSA-N 0 3 306.369 2.393 20 30 DEEDHN COCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1CC=CCC1 ZINC000362243846 424850628 /nfs/dbraw/zinc/85/06/28/424850628.db2.gz FVLFUWPOIYOWQM-WMZOPIPTSA-N 0 3 321.465 2.346 20 30 DEEDHN CC#CC[C@H](CO)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000649181822 424965222 /nfs/dbraw/zinc/96/52/22/424965222.db2.gz JMIMSNRABRTNCG-GOSISDBHSA-N 0 3 314.429 2.177 20 30 DEEDHN C[C@H]1CN(CCCNc2nc(C#N)c(Cl)s2)CCCO1 ZINC000596209986 425021357 /nfs/dbraw/zinc/02/13/57/425021357.db2.gz VZTSNJUJYZCLBZ-JTQLQIEISA-N 0 3 314.842 2.581 20 30 DEEDHN C[C@H]1CCCN(CCNc2ncc(Br)cc2C#N)C1 ZINC000450260081 425066773 /nfs/dbraw/zinc/06/67/73/425066773.db2.gz ZPNYRIXFMIAIGD-NSHDSACASA-N 0 3 323.238 2.860 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc3c2OCCCO3)CC1 ZINC000651273167 425127021 /nfs/dbraw/zinc/12/70/21/425127021.db2.gz DTVZZZKRBYGRNH-UHFFFAOYSA-N 0 3 316.401 2.228 20 30 DEEDHN C=CCc1cc(CNCC[C@]2(O)CCCOC2)cc(OC)c1O ZINC000652039861 425167238 /nfs/dbraw/zinc/16/72/38/425167238.db2.gz QDUYVJRPVFEAFD-GOSISDBHSA-N 0 3 321.417 2.151 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCCC[C@H]1C)[C@@H](C)COC ZINC000663630303 425201688 /nfs/dbraw/zinc/20/16/88/425201688.db2.gz SJPKNCWFNFQBRU-PMPSAXMXSA-N 0 3 311.470 2.482 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000651725748 425144772 /nfs/dbraw/zinc/14/47/72/425144772.db2.gz NSJQANDAVAIKQL-FQLMCAECSA-N 0 3 302.422 2.248 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C1=O ZINC000656689933 425161174 /nfs/dbraw/zinc/16/11/74/425161174.db2.gz XEGIEFZMWBXKOH-ZNMIVQPWSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(c3ccon3)CC2)CC1 ZINC000660704202 425211361 /nfs/dbraw/zinc/21/13/61/425211361.db2.gz LSASDCIJNYIMSS-UHFFFAOYSA-N 0 3 318.421 2.214 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC3(CCCC3)OC[C@@H]2C)CC1 ZINC000660703658 425212510 /nfs/dbraw/zinc/21/25/10/425212510.db2.gz GDAWNFRLNWDQAY-HNNXBMFYSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN(C)CCCOC ZINC000660740940 425221434 /nfs/dbraw/zinc/22/14/34/425221434.db2.gz VMYGUVVIICDGAO-CVEARBPZSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCNC(=O)c1ccc(NC[C@H]2CCN2C(C)(C)C)nc1 ZINC000664143177 425315968 /nfs/dbraw/zinc/31/59/68/425315968.db2.gz SDFJIAHQHJWVJO-CQSZACIVSA-N 0 3 302.422 2.282 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000654313976 425324661 /nfs/dbraw/zinc/32/46/61/425324661.db2.gz GDEAKZIYZXVANE-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N(C)CCN1CCCCC1 ZINC000652568190 425294658 /nfs/dbraw/zinc/29/46/58/425294658.db2.gz UDYCIZGPHZZWBM-UHFFFAOYSA-N 0 3 314.437 2.381 20 30 DEEDHN C=CC[C@@H]1CCCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000661380518 425395124 /nfs/dbraw/zinc/39/51/24/425395124.db2.gz NIAGJTDSVCQNAM-GDBMZVCRSA-N 0 3 302.422 2.204 20 30 DEEDHN C=CCOCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661795475 425503523 /nfs/dbraw/zinc/50/35/23/425503523.db2.gz ANUYQCIMIDNITA-MRXNPFEDSA-N 0 3 305.422 2.181 20 30 DEEDHN C=CCC1(NCc2nn3c(nc(C)cc3=O)s2)CCCC1 ZINC000661851431 425513658 /nfs/dbraw/zinc/51/36/58/425513658.db2.gz RFFHNLGTWMWKLA-UHFFFAOYSA-N 0 3 304.419 2.438 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN)c1 ZINC000659090889 425527380 /nfs/dbraw/zinc/52/73/80/425527380.db2.gz DUCVJRJPPKANGD-HOCLYGCPSA-N 0 3 315.417 2.335 20 30 DEEDHN C=CCc1cc(CNC(=O)CNC(C)C)cc(OC)c1OC ZINC000659253460 425560720 /nfs/dbraw/zinc/56/07/20/425560720.db2.gz UDEPGIMHWJYEMA-UHFFFAOYSA-N 0 3 306.406 2.047 20 30 DEEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655913812 425684863 /nfs/dbraw/zinc/68/48/63/425684863.db2.gz JOJBWYYSUJOEDI-LBPRGKRZSA-N 0 3 319.302 2.413 20 30 DEEDHN C=CCOCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000666523556 425769368 /nfs/dbraw/zinc/76/93/68/425769368.db2.gz VJAUEPAXXGERJT-INIZCTEOSA-N 0 3 309.454 2.239 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](c2ccncc2)C1 ZINC000528503899 268302769 /nfs/dbraw/zinc/30/27/69/268302769.db2.gz AMAAIPMDNXNLJO-ZWKOTPCHSA-N 0 3 323.396 2.182 20 30 DEEDHN Cn1cc(CN[C@H](COC(N)=O)Cc2ccccc2)cc1C#N ZINC000496907040 269265107 /nfs/dbraw/zinc/26/51/07/269265107.db2.gz ABYACIAHJSORAG-HNNXBMFYSA-N 0 3 312.373 2.107 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1F ZINC000515073708 269342936 /nfs/dbraw/zinc/34/29/36/269342936.db2.gz SDQOWDLIKSBZHG-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN N#Cc1c(N2CC[C@H](N3CC=CC3)C2)nc2cc(Cl)ccn12 ZINC000286648322 274918361 /nfs/dbraw/zinc/91/83/61/274918361.db2.gz CFYKLNKUSABRNB-ZDUSSCGKSA-N 0 3 313.792 2.310 20 30 DEEDHN CCC1(CC)[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)[C@H]1OC ZINC000345108674 275963378 /nfs/dbraw/zinc/96/33/78/275963378.db2.gz FWZCPTPJYXLFNO-GBJTYRQASA-N 0 3 321.465 2.367 20 30 DEEDHN CCN1CCC(NC(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000328709903 276148880 /nfs/dbraw/zinc/14/88/80/276148880.db2.gz ANXDSOFVVKZAAL-ZDUSSCGKSA-N 0 3 308.426 2.016 20 30 DEEDHN C#CCSCCN[C@H](CN1CCOCC1)c1ccccc1C ZINC000183777012 277696040 /nfs/dbraw/zinc/69/60/40/277696040.db2.gz SBTFHOKWMRWHBY-GOSISDBHSA-N 0 3 318.486 2.324 20 30 DEEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000429502266 277736748 /nfs/dbraw/zinc/73/67/48/277736748.db2.gz CMLRNWLHRQTRDV-GJZGRUSLSA-N 0 3 307.438 2.218 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(C)C)CC2)CC1 ZINC000171607339 277775285 /nfs/dbraw/zinc/77/52/85/277775285.db2.gz KRCVCQUEFHDVBR-UHFFFAOYSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)CC1 ZINC000332272107 277857540 /nfs/dbraw/zinc/85/75/40/277857540.db2.gz CJLPGTXDRGQMFU-CABCVRRESA-N 0 3 322.453 2.420 20 30 DEEDHN C=CCN1CC[C@@H](N2CCNC[C@@H]2c2ccccc2Cl)C1=O ZINC000420311642 277858935 /nfs/dbraw/zinc/85/89/35/277858935.db2.gz NZAWSFAXHSGUST-HZPDHXFCSA-N 0 3 319.836 2.073 20 30 DEEDHN CSCC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)N(C)C ZINC000353648410 278132931 /nfs/dbraw/zinc/13/29/31/278132931.db2.gz AGELAELKGFSGQH-CVEARBPZSA-N 0 3 317.458 2.345 20 30 DEEDHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000182269609 288035681 /nfs/dbraw/zinc/03/56/81/288035681.db2.gz MSZCRQQRBNVQRU-GJZGRUSLSA-N 0 3 307.438 2.218 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000365845023 279172318 /nfs/dbraw/zinc/17/23/18/279172318.db2.gz BMDJLYPXSBRMPO-GVDBMIGSSA-N 0 3 321.465 2.154 20 30 DEEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000189484205 280044649 /nfs/dbraw/zinc/04/46/49/280044649.db2.gz DUBMHYBJBKURDD-LZWOXQAQSA-N 0 3 309.479 2.449 20 30 DEEDHN C[C@]1(F)CNCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000420261313 280164348 /nfs/dbraw/zinc/16/43/48/280164348.db2.gz KKVJOIYJRVSDCF-LBPRGKRZSA-N 0 3 302.275 2.110 20 30 DEEDHN Cc1cccc(S(=O)(=O)NC(C)(C)CN2CCCC2)c1C#N ZINC000452079009 281251454 /nfs/dbraw/zinc/25/14/54/281251454.db2.gz FMZOSZIQWCZCAT-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C[C@@H]1C[C@@H](CCN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000339089656 288502355 /nfs/dbraw/zinc/50/23/55/288502355.db2.gz BOTFQBJKZPHUIJ-YXPYIKCWSA-N 0 3 315.417 2.268 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO1 ZINC000421354051 289144254 /nfs/dbraw/zinc/14/42/54/289144254.db2.gz GYLQUQARXKKROQ-MRXNPFEDSA-N 0 3 305.397 2.240 20 30 DEEDHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000290595613 294318568 /nfs/dbraw/zinc/31/85/68/294318568.db2.gz REXLGZLSGJMZCM-QLFBSQMISA-N 0 3 303.406 2.335 20 30 DEEDHN Cc1noc([C@@H]2CCCN2C(=O)N[C@@H](C)CN2CCCCC2)n1 ZINC000329244058 302850749 /nfs/dbraw/zinc/85/07/49/302850749.db2.gz UDMICPVAMUZWDN-JSGCOSHPSA-N 0 3 321.425 2.303 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001349895147 1151304978 /nfs/dbraw/zinc/30/49/78/1151304978.db2.gz YUEOKJCVSGQIBF-HZPDHXFCSA-N 0 3 307.438 2.063 20 30 DEEDHN N#Cc1c(-n2cccn2)cccc1N1CC[C@H](N2CC=CC2)C1 ZINC000574926348 326202482 /nfs/dbraw/zinc/20/24/82/326202482.db2.gz AFFOANBTNYFFMB-HNNXBMFYSA-N 0 3 305.385 2.194 20 30 DEEDHN C[C@@H](Cc1cccc(O)c1)NCc1cnc2c(C#N)cnn2c1 ZINC000575010894 326210309 /nfs/dbraw/zinc/21/03/09/326210309.db2.gz FRNJDGYDYWUZAG-LBPRGKRZSA-N 0 3 307.357 2.027 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(C2CCC2)cc1 ZINC000565359511 333396274 /nfs/dbraw/zinc/39/62/74/333396274.db2.gz ZOPBBXUBVGSDRR-SFHVURJKSA-N 0 3 301.434 2.250 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cc(F)ccc2OC)CC1 ZINC000186239986 335156874 /nfs/dbraw/zinc/15/68/74/335156874.db2.gz DZGOTCAMWURXPI-UHFFFAOYSA-N 0 3 306.381 2.143 20 30 DEEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000351939721 336181819 /nfs/dbraw/zinc/18/18/19/336181819.db2.gz WMQCTIHNPACWBC-WMLDXEAASA-N 0 3 309.454 2.320 20 30 DEEDHN CCN(C[C@H](C)O)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000352195458 336200903 /nfs/dbraw/zinc/20/09/03/336200903.db2.gz QYIASUQEMDDXAF-GWUWNPHMSA-N 0 3 309.454 2.008 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2-c2ccon2)[C@H]1C ZINC001088983601 782098130 /nfs/dbraw/zinc/09/81/30/782098130.db2.gz FRHOIBYNPIMRMR-NEPJUHHUSA-N 0 3 316.361 2.098 20 30 DEEDHN CC(C)[C@]1(C)C[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000397162279 337256736 /nfs/dbraw/zinc/25/67/36/337256736.db2.gz WCEPXZONZVBVPT-HOTGVXAUSA-N 0 3 306.431 2.356 20 30 DEEDHN Cc1cc(NC(=O)C2CCN(CCCSCC#N)CC2)no1 ZINC000072513534 337547859 /nfs/dbraw/zinc/54/78/59/337547859.db2.gz FYAPEUYMULVFNY-UHFFFAOYSA-N 0 3 322.434 2.280 20 30 DEEDHN C=CCN1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000496494518 340006618 /nfs/dbraw/zinc/00/66/18/340006618.db2.gz RSBATGWXCODOHY-CQSZACIVSA-N 0 3 321.425 2.126 20 30 DEEDHN C[C@@H](NCCO[C@@H](C)C#N)c1cccc(N2CCOC2=O)c1 ZINC000496526573 340007181 /nfs/dbraw/zinc/00/71/81/340007181.db2.gz CZVPKFYQMLRCFY-QWHCGFSZSA-N 0 3 303.362 2.222 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000497020191 340018443 /nfs/dbraw/zinc/01/84/43/340018443.db2.gz VFCTUZOJVFLRRN-WBVHZDCISA-N 0 3 314.385 2.019 20 30 DEEDHN CCC(=O)N1CC[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000134521270 341217079 /nfs/dbraw/zinc/21/70/79/341217079.db2.gz BCWIALDHUBFMRY-INIZCTEOSA-N 0 3 315.417 2.470 20 30 DEEDHN CCN(Cc1ccc(C(=O)N[C@@]2(C#N)CCOC2)cc1)C1CC1 ZINC000548467188 341262095 /nfs/dbraw/zinc/26/20/95/341262095.db2.gz VSPUTSZJVNXGRQ-GOSISDBHSA-N 0 3 313.401 2.083 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H]1CO)C(C)C ZINC000249115288 341394163 /nfs/dbraw/zinc/39/41/63/341394163.db2.gz SFKJVUQQYQPCJX-BBWFWOEESA-N 0 3 323.481 2.097 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000573081222 341716509 /nfs/dbraw/zinc/71/65/09/341716509.db2.gz QUHHMRDLHPHDLY-MXASKKJJSA-N 0 3 317.433 2.321 20 30 DEEDHN CN(C)C[C@@H](NC(=O)NCC1(C#N)CC1)c1ccc(F)cc1 ZINC000576015525 341820234 /nfs/dbraw/zinc/82/02/34/341820234.db2.gz BANAPQDECRGUIL-CQSZACIVSA-N 0 3 304.369 2.031 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001357301764 1152284058 /nfs/dbraw/zinc/28/40/58/1152284058.db2.gz FHHHJUDKMIYGPR-IRXDYDNUSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC001357304443 1152284634 /nfs/dbraw/zinc/28/46/34/1152284634.db2.gz XPPFBNHARYOHLJ-OAHLLOKOSA-N 0 3 303.406 2.319 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1ccsn1 ZINC001378580952 1152382966 /nfs/dbraw/zinc/38/29/66/1152382966.db2.gz RIKFXKDRZUTHBX-LBPRGKRZSA-N 0 3 314.414 2.170 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001330032859 1149037815 /nfs/dbraw/zinc/03/78/15/1149037815.db2.gz XIDAXJHQSAYBLC-ZDUSSCGKSA-N 0 3 320.437 2.138 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099093797 782146812 /nfs/dbraw/zinc/14/68/12/782146812.db2.gz UUIMWSLUTGZIOH-CYBMUJFWSA-N 0 3 316.873 2.364 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(COC)s2)[C@H]1C ZINC001089078671 782154400 /nfs/dbraw/zinc/15/44/00/782154400.db2.gz QICHAPVKEVSADX-NEPJUHHUSA-N 0 3 309.435 2.058 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC001330074904 1149045746 /nfs/dbraw/zinc/04/57/46/1149045746.db2.gz REGBQYDODYXDLM-OAHLLOKOSA-N 0 3 319.449 2.322 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCc2cccc(F)c2F)C1 ZINC001330083802 1149047762 /nfs/dbraw/zinc/04/77/62/1149047762.db2.gz BUGXQCIMWWDRLH-ZDUSSCGKSA-N 0 3 320.383 2.357 20 30 DEEDHN CCO[C@H](CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001378744824 1152432915 /nfs/dbraw/zinc/43/29/15/1152432915.db2.gz SBKJMDIXAGSDBI-IUODEOHRSA-N 0 3 323.462 2.371 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)C(C)(C)C1 ZINC001330260687 1149082173 /nfs/dbraw/zinc/08/21/73/1149082173.db2.gz DAJDMHJVWUCRJJ-DLBZAZTESA-N 0 3 316.420 2.417 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C3(Cc4ccccc4)CCC3)[C@@H]2C1 ZINC001330299548 1149087942 /nfs/dbraw/zinc/08/79/42/1149087942.db2.gz VPRGPJMWQIBVQA-LDLYASANSA-N 0 3 322.452 2.327 20 30 DEEDHN COC(=O)c1cc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2o1 ZINC000424095641 533942495 /nfs/dbraw/zinc/94/24/95/533942495.db2.gz XUEDYYYHNPDLPN-LBPRGKRZSA-N 0 3 315.329 2.179 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001378815878 1152455910 /nfs/dbraw/zinc/45/59/10/1152455910.db2.gz QREFBBRXSFSFJV-GMTAPVOTSA-N 0 3 321.284 2.131 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001378859176 1152469933 /nfs/dbraw/zinc/46/99/33/1152469933.db2.gz BITLRNIIQJVLGR-DAXOMENPSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424014066 517326539 /nfs/dbraw/zinc/32/65/39/517326539.db2.gz TZCXFFXXLRJDKH-UHOFOFEASA-N 0 3 306.381 2.060 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001378870138 1152473526 /nfs/dbraw/zinc/47/35/26/1152473526.db2.gz KXPFLHGGWPIOIZ-AJNGGQMLSA-N 0 3 314.857 2.429 20 30 DEEDHN CO[C@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001378876769 1152476198 /nfs/dbraw/zinc/47/61/98/1152476198.db2.gz SISYBOMOHQGQOY-CHWSQXEVSA-N 0 3 323.462 2.275 20 30 DEEDHN CCCN(CCN(C)C)C(=O)CSc1ccc(C#N)cc1 ZINC000103206717 521654380 /nfs/dbraw/zinc/65/43/80/521654380.db2.gz ZYQLGMCAQWGPMQ-UHFFFAOYSA-N 0 3 305.447 2.451 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458279751 534582266 /nfs/dbraw/zinc/58/22/66/534582266.db2.gz SHUPUGWBPLDQHE-HIFRSBDPSA-N 0 3 322.380 2.296 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000367697034 523349124 /nfs/dbraw/zinc/34/91/24/523349124.db2.gz JKSGMOMBDGVXKY-KRWDZBQOSA-N 0 3 308.385 2.233 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001358823832 1152497407 /nfs/dbraw/zinc/49/74/07/1152497407.db2.gz NYWGXAMJSTUPTK-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C[C@@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000338989587 526330078 /nfs/dbraw/zinc/33/00/78/526330078.db2.gz IJOMCTHHHQNSRA-PBHICJAKSA-N 0 3 313.405 2.390 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CCO[C@@H](C)C2)CC1 ZINC000334037955 526434662 /nfs/dbraw/zinc/43/46/62/526434662.db2.gz SQZIFAWIBBQFLQ-GJZGRUSLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2c2ccccc2)CC1 ZINC000369478060 526443180 /nfs/dbraw/zinc/44/31/80/526443180.db2.gz XLGYTACHKSANPY-SFHVURJKSA-N 0 3 313.445 2.422 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(N3CCCC3)ccn2)CC1 ZINC000194608503 526446592 /nfs/dbraw/zinc/44/65/92/526446592.db2.gz VJQNGXWNSPYREK-UHFFFAOYSA-N 0 3 314.433 2.062 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429038702 526522978 /nfs/dbraw/zinc/52/29/78/526522978.db2.gz GEHWQTXLBBZFMK-GVDBMIGSSA-N 0 3 307.482 2.073 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC(CC)(CC)CCO)CC1 ZINC000338638406 526588979 /nfs/dbraw/zinc/58/89/79/526588979.db2.gz DELNCRSEWAQDOO-UHFFFAOYSA-N 0 3 311.470 2.267 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000364810093 526635333 /nfs/dbraw/zinc/63/53/33/526635333.db2.gz YROQVSHOEIODMV-XJKSGUPXSA-N 0 3 319.792 2.307 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000294800163 526742372 /nfs/dbraw/zinc/74/23/72/526742372.db2.gz BUIKESMIPUGQTJ-ZBFHGGJFSA-N 0 3 312.413 2.444 20 30 DEEDHN C#CCCOc1ccc(CN[C@H](C(=O)NCC)C(C)C)cc1 ZINC000292830310 526744747 /nfs/dbraw/zinc/74/47/47/526744747.db2.gz AMPZLDJGDVDDPZ-KRWDZBQOSA-N 0 3 302.418 2.339 20 30 DEEDHN C=CCOCCCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000339400125 526752937 /nfs/dbraw/zinc/75/29/37/526752937.db2.gz OKWSCUFLYVAZLF-QGZVFWFLSA-N 0 3 302.418 2.012 20 30 DEEDHN C=C(C)[C@@H](NC[C@@H](O)COCCOC)c1ccc(F)c(F)c1 ZINC000295727438 526756933 /nfs/dbraw/zinc/75/69/33/526756933.db2.gz LQPFLXOPMFQVAY-CZUORRHYSA-N 0 3 315.360 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OC(C)C)cc1 ZINC000297529699 526817827 /nfs/dbraw/zinc/81/78/27/526817827.db2.gz SUHSCJFATQMSMC-UHFFFAOYSA-N 0 3 317.433 2.228 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000296723022 526818479 /nfs/dbraw/zinc/81/84/79/526818479.db2.gz CGBNGVJJAGFBGQ-GDBMZVCRSA-N 0 3 315.417 2.153 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CCC1 ZINC000191705278 527055456 /nfs/dbraw/zinc/05/54/56/527055456.db2.gz GAAHHUQDQNJDME-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN C#CCOCCC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374256769 527066845 /nfs/dbraw/zinc/06/68/45/527066845.db2.gz KPKPVSCLPSGPDX-IBGZPJMESA-N 0 3 314.429 2.055 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000410641586 527116046 /nfs/dbraw/zinc/11/60/46/527116046.db2.gz LMEHHXMXRNLTCX-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000374189712 527146553 /nfs/dbraw/zinc/14/65/53/527146553.db2.gz SFMNOYBUILZHBG-KRWDZBQOSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2CCN[C@H](C)[C@@H]2C)c(OC)c1 ZINC000262795012 527248671 /nfs/dbraw/zinc/24/86/71/527248671.db2.gz OCZNVDZLNCZPGQ-KGLIPLIRSA-N 0 3 318.417 2.011 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000297618670 527341117 /nfs/dbraw/zinc/34/11/17/527341117.db2.gz XJTCTKLTXXEZFZ-SWLSCSKDSA-N 0 3 305.447 2.332 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000337837327 527350695 /nfs/dbraw/zinc/35/06/95/527350695.db2.gz CTSICOOIYZCLDB-GJZGRUSLSA-N 0 3 319.453 2.092 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000337837331 527358613 /nfs/dbraw/zinc/35/86/13/527358613.db2.gz CTSICOOIYZCLDB-LSDHHAIUSA-N 0 3 319.453 2.092 20 30 DEEDHN C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000337574924 527499578 /nfs/dbraw/zinc/49/95/78/527499578.db2.gz HJPGLBLKWFVLDE-UHFFFAOYSA-N 0 3 317.433 2.200 20 30 DEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292689116 527642853 /nfs/dbraw/zinc/64/28/53/527642853.db2.gz AJBGSHJKKMDNTB-QGZVFWFLSA-N 0 3 305.418 2.289 20 30 DEEDHN CC(C)NS(=O)(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442711483 527759594 /nfs/dbraw/zinc/75/95/94/527759594.db2.gz DWFLANLBMMFFGD-UKRRQHHQSA-N 0 3 321.446 2.155 20 30 DEEDHN CC(C)[C@H]1CN(C)CCN1CCC(=O)Nc1ccccc1C#N ZINC000331006992 527851645 /nfs/dbraw/zinc/85/16/45/527851645.db2.gz ZZCRZBAPRFXWML-QGZVFWFLSA-N 0 3 314.433 2.159 20 30 DEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)N(C)C ZINC000299114486 528135547 /nfs/dbraw/zinc/13/55/47/528135547.db2.gz RBMWFRNJXAPOQZ-LBPRGKRZSA-N 0 3 304.394 2.417 20 30 DEEDHN CCOC(=O)C1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000337127208 528641855 /nfs/dbraw/zinc/64/18/55/528641855.db2.gz GUOYOBUKDJIMKZ-UHFFFAOYSA-N 0 3 308.422 2.362 20 30 DEEDHN CCNC(=O)NC(=O)CN1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000331129798 528826776 /nfs/dbraw/zinc/82/67/76/528826776.db2.gz AKSCENIETLLCJC-UKRRQHHQSA-N 0 3 303.406 2.223 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)c1cnc(N(C)C)cn1 ZINC000330626577 529199933 /nfs/dbraw/zinc/19/99/33/529199933.db2.gz VVKUBGVFPNPOTA-ZDUSSCGKSA-N 0 3 305.426 2.112 20 30 DEEDHN CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NNC1=N[C@H](C)CN1 ZINC000495088503 535181084 /nfs/dbraw/zinc/18/10/84/535181084.db2.gz RDGRNUVZAFFAEY-CHWSQXEVSA-N 0 3 323.441 2.089 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCC1(CNCC(=C)Cl)CC1 ZINC001168426034 782168444 /nfs/dbraw/zinc/16/84/44/782168444.db2.gz JJFYTLGGSYRMBT-CYBMUJFWSA-N 0 3 300.830 2.206 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000348155919 536362266 /nfs/dbraw/zinc/36/22/66/536362266.db2.gz CSOIXGOBBSEPAW-OLZOCXBDSA-N 0 3 323.343 2.164 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000454723642 536465818 /nfs/dbraw/zinc/46/58/18/536465818.db2.gz SXBAAPZNSATBAX-ZACQAIPSSA-N 0 3 312.417 2.377 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC(C)(C)O ZINC001369747920 1149137022 /nfs/dbraw/zinc/13/70/22/1149137022.db2.gz KAAGDAHPZVHOBW-QWHCGFSZSA-N 0 3 302.846 2.259 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359124566 1152551353 /nfs/dbraw/zinc/55/13/53/1152551353.db2.gz NSUYCHPBTJOGAR-UHFFFAOYSA-N 0 3 321.469 2.311 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC001369756769 1149148429 /nfs/dbraw/zinc/14/84/29/1149148429.db2.gz VQYXKLJREFGPTA-JSGCOSHPSA-N 0 3 308.813 2.202 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835340859 649908614 /nfs/dbraw/zinc/90/86/14/649908614.db2.gz OZXNTKKATQBCBA-CABCVRRESA-N 0 3 302.374 2.135 20 30 DEEDHN CC(=O)N[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)(C)C ZINC000835347809 649909648 /nfs/dbraw/zinc/90/96/48/649909648.db2.gz CTWWNLBFAMRGJK-YVEFUNNKSA-N 0 3 324.384 2.357 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001027649299 634381443 /nfs/dbraw/zinc/38/14/43/634381443.db2.gz HPFIJYGOCWFSFQ-CYBMUJFWSA-N 0 3 324.856 2.363 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3c(C)cccn3c2)C1 ZINC001027647361 634381866 /nfs/dbraw/zinc/38/18/66/634381866.db2.gz GCLBECSFXOVRLR-KRWDZBQOSA-N 0 3 309.413 2.417 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccn(C(C)C)c3C)[C@@H]2C1 ZINC000978645443 634383456 /nfs/dbraw/zinc/38/34/56/634383456.db2.gz GKCRFIASRUWFJC-NNZMDNLPSA-N 0 3 313.445 2.308 20 30 DEEDHN C=CC[N@@H+](CCCCCCO)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743300 606125655 /nfs/dbraw/zinc/12/56/55/606125655.db2.gz GNXQUUZKXOVTOY-UHFFFAOYSA-N 0 3 315.421 2.407 20 30 DEEDHN C=CC[N@H+](CCCCCCO)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743300 606125657 /nfs/dbraw/zinc/12/56/57/606125657.db2.gz GNXQUUZKXOVTOY-UHFFFAOYSA-N 0 3 315.421 2.407 20 30 DEEDHN C=CC[N@@H+](CCCCCCO)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819743300 606125659 /nfs/dbraw/zinc/12/56/59/606125659.db2.gz GNXQUUZKXOVTOY-UHFFFAOYSA-N 0 3 315.421 2.407 20 30 DEEDHN C=CC[N@H+](CCCCCCO)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819743300 606125661 /nfs/dbraw/zinc/12/56/61/606125661.db2.gz GNXQUUZKXOVTOY-UHFFFAOYSA-N 0 3 315.421 2.407 20 30 DEEDHN C#CC[N@H+](CCOc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819701343 606784060 /nfs/dbraw/zinc/78/40/60/606784060.db2.gz DJORJVOXZYKXHL-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN C#CC[N@@H+](CCOc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819701343 606784062 /nfs/dbraw/zinc/78/40/62/606784062.db2.gz DJORJVOXZYKXHL-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)Cc1ccoc1 ZINC001379658191 1152667091 /nfs/dbraw/zinc/66/70/91/1152667091.db2.gz LYXXBWASAYEXMI-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)CN2CCCC2)CC1 ZINC001382564318 1153471900 /nfs/dbraw/zinc/47/19/00/1153471900.db2.gz LOIVRKASEAIGST-AWEZNQCLSA-N 0 3 313.873 2.051 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)ncn1 ZINC001025222514 625279854 /nfs/dbraw/zinc/27/98/54/625279854.db2.gz VJZZIPIMDSJFQJ-DLBZAZTESA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001025224710 625281609 /nfs/dbraw/zinc/28/16/09/625281609.db2.gz UMJGHUJQXLZKGM-CVEARBPZSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC001023476312 625285613 /nfs/dbraw/zinc/28/56/13/625285613.db2.gz LBLSVAYOHDBLHB-INIZCTEOSA-N 0 3 314.429 2.469 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1=CCOCC1 ZINC001025265185 625313063 /nfs/dbraw/zinc/31/30/63/625313063.db2.gz DJOBVPUCCVFKAD-MSOLQXFVSA-N 0 3 316.445 2.202 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001023525576 625309589 /nfs/dbraw/zinc/30/95/89/625309589.db2.gz YSGNTGJUTAFBPX-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001025269327 625316501 /nfs/dbraw/zinc/31/65/01/625316501.db2.gz OLXJINYSJZDFGV-QZTJIDSGSA-N 0 3 313.445 2.426 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001023556140 625324451 /nfs/dbraw/zinc/32/44/51/625324451.db2.gz IKOTXGITIMWHIY-KDOFPFPSSA-N 0 3 314.404 2.317 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001023595371 625337141 /nfs/dbraw/zinc/33/71/41/625337141.db2.gz ACJJIWVXIVSTLI-HNNXBMFYSA-N 0 3 311.429 2.342 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ocnc2C(F)(F)F)C[C@@H]1C ZINC000947572845 625343443 /nfs/dbraw/zinc/34/34/43/625343443.db2.gz UXLFMVCQHCCKEW-UWVGGRQHSA-N 0 3 317.311 2.462 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001023608835 625347156 /nfs/dbraw/zinc/34/71/56/625347156.db2.gz HYXBYCXOJJSJHX-LLVKDONJSA-N 0 3 310.319 2.179 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001023623319 625357977 /nfs/dbraw/zinc/35/79/77/625357977.db2.gz NPSSFRVHBBOXRS-GFCCVEGCSA-N 0 3 310.829 2.010 20 30 DEEDHN CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025336354 625364107 /nfs/dbraw/zinc/36/41/07/625364107.db2.gz XZIXWVNEKHWWOY-HUUCEWRRSA-N 0 3 300.402 2.246 20 30 DEEDHN CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025336354 625364110 /nfs/dbraw/zinc/36/41/10/625364110.db2.gz XZIXWVNEKHWWOY-HUUCEWRRSA-N 0 3 300.402 2.246 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)COC3)C1 ZINC001023646666 625371165 /nfs/dbraw/zinc/37/11/65/625371165.db2.gz PKXWWMYOJDYZBF-HNNXBMFYSA-N 0 3 312.413 2.182 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2sc(CC)nc2C)C1 ZINC001023646634 625371442 /nfs/dbraw/zinc/37/14/42/625371442.db2.gz PCLJDDUICLTSLU-CQSZACIVSA-N 0 3 319.474 2.479 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001023651451 625373485 /nfs/dbraw/zinc/37/34/85/625373485.db2.gz SQYLFACCQRHVHJ-CABCVRRESA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnc(C3CC3)s2)C1 ZINC001023710684 625394652 /nfs/dbraw/zinc/39/46/52/625394652.db2.gz PKLAIEWMESSJPO-LBPRGKRZSA-N 0 3 303.431 2.096 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cnco2)CCN1Cc1ccc(C#N)cc1 ZINC000947588570 625396135 /nfs/dbraw/zinc/39/61/35/625396135.db2.gz FPVMVEZXBLYIKQ-CJNGLKHVSA-N 0 3 324.384 2.329 20 30 DEEDHN C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001025389925 625398305 /nfs/dbraw/zinc/39/83/05/625398305.db2.gz GQUGJDOQVKVPKA-ZTGIWPAFSA-N 0 3 320.824 2.469 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC001023719528 625399006 /nfs/dbraw/zinc/39/90/06/625399006.db2.gz BXNHEGLHIHCOFC-ZDUSSCGKSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2coc(CC)n2)C1 ZINC001025398712 625403444 /nfs/dbraw/zinc/40/34/44/625403444.db2.gz VOQZNIJHFKBJCP-KBPBESRZSA-N 0 3 303.406 2.091 20 30 DEEDHN Cc1cnoc1C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972662201 625416544 /nfs/dbraw/zinc/41/65/44/625416544.db2.gz YXCZAWFDASKCKK-INIZCTEOSA-N 0 3 324.384 2.201 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3cccnc3n2)C1 ZINC001025419829 625419107 /nfs/dbraw/zinc/41/91/07/625419107.db2.gz OYKRUTSIQYESKU-ZBFHGGJFSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001025432266 625429207 /nfs/dbraw/zinc/42/92/07/625429207.db2.gz SYEGCBAQFJUELJ-HOTGVXAUSA-N 0 3 316.449 2.003 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(F)cncc2F)C1 ZINC001025430454 625430223 /nfs/dbraw/zinc/43/02/23/625430223.db2.gz FJKYMZJOPZHVJK-CHWSQXEVSA-N 0 3 321.371 2.213 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC001025448444 625443539 /nfs/dbraw/zinc/44/35/39/625443539.db2.gz PZAXRHIGLAFDPI-NVXWUHKLSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnc3ccccn23)C1 ZINC001025464943 625458437 /nfs/dbraw/zinc/45/84/37/625458437.db2.gz SGCHJUKJGIPANH-CVEARBPZSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001025478064 625469585 /nfs/dbraw/zinc/46/95/85/625469585.db2.gz MMMQSJOCKXGQGL-KBPBESRZSA-N 0 3 317.433 2.436 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2occ3c2CCC3)C1 ZINC001025493551 625484153 /nfs/dbraw/zinc/48/41/53/625484153.db2.gz PDOXDYRNTCDOPV-KGLIPLIRSA-N 0 3 300.402 2.232 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccncc2Cl)C1 ZINC001025539847 625522689 /nfs/dbraw/zinc/52/26/89/625522689.db2.gz QAJOFPQVKAKGPO-OLZOCXBDSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccncc2Cl)C1 ZINC001025539846 625523050 /nfs/dbraw/zinc/52/30/50/625523050.db2.gz QAJOFPQVKAKGPO-CHWSQXEVSA-N 0 3 305.809 2.199 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnn(CC)c2C)C1 ZINC001025573402 625577341 /nfs/dbraw/zinc/57/73/41/625577341.db2.gz LLVAQTWHVITWBC-GOEBONIOSA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001020389337 622571619 /nfs/dbraw/zinc/57/16/19/622571619.db2.gz DDUSHIUDUPWQGB-XYPYZODXSA-N 0 3 304.781 2.166 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000969170691 622602771 /nfs/dbraw/zinc/60/27/71/622602771.db2.gz PIQPERPVJIJOCR-HOTGVXAUSA-N 0 3 306.450 2.350 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3oc(C)nc3C)C2)cc1 ZINC001020456308 622684632 /nfs/dbraw/zinc/68/46/32/622684632.db2.gz JCAPHXCRFDLYER-QAQDUYKDSA-N 0 3 323.396 2.323 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001020499279 622740665 /nfs/dbraw/zinc/74/06/65/622740665.db2.gz OGONBGHTDRGWLL-KKUMJFAQSA-N 0 3 319.836 2.491 20 30 DEEDHN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2ccccc2)C1 ZINC000969526966 622807582 /nfs/dbraw/zinc/80/75/82/622807582.db2.gz SFIRIRTXNYZRQO-CYBMUJFWSA-N 0 3 308.385 2.137 20 30 DEEDHN Cc1ccccc1CN1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969527441 622808583 /nfs/dbraw/zinc/80/85/83/622808583.db2.gz WZNCYPXWHFXDHJ-AWEZNQCLSA-N 0 3 322.412 2.445 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000969538921 622812243 /nfs/dbraw/zinc/81/22/43/622812243.db2.gz KIRYNCJMBVYGIF-GFCCVEGCSA-N 0 3 304.781 2.120 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000969688976 622885056 /nfs/dbraw/zinc/88/50/56/622885056.db2.gz GELXGOHLMQDWJU-AWEZNQCLSA-N 0 3 313.445 2.453 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2sccc2CN(C)C)C1 ZINC000969782351 622919009 /nfs/dbraw/zinc/91/90/09/622919009.db2.gz IVAAAOXITOMQHZ-CYBMUJFWSA-N 0 3 321.490 2.436 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc3c2COCC3)C1 ZINC000969829368 622936890 /nfs/dbraw/zinc/93/68/90/622936890.db2.gz MFNBILIXMSRPCH-CQSZACIVSA-N 0 3 314.429 2.386 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC000969832739 622942483 /nfs/dbraw/zinc/94/24/83/622942483.db2.gz 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/nfs/dbraw/zinc/26/04/22/623260422.db2.gz DCAFFWWHYKJAST-JOCQHMNTSA-N 0 3 324.808 2.307 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC000970178559 623283321 /nfs/dbraw/zinc/28/33/21/623283321.db2.gz JDELHJWTXCDINB-ZIAGYGMSSA-N 0 3 312.413 2.083 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000970253457 623360145 /nfs/dbraw/zinc/36/01/45/623360145.db2.gz MAVAXSCAERCJGG-KBXCAEBGSA-N 0 3 314.429 2.313 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccnc2OC(C)C)C1 ZINC001021153706 623390288 /nfs/dbraw/zinc/39/02/88/623390288.db2.gz UJBZIYFJUUSOCH-JOCQHMNTSA-N 0 3 323.824 2.472 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000970352224 623414647 /nfs/dbraw/zinc/41/46/47/623414647.db2.gz WRJPMQGJMGPGBU-JTQLQIEISA-N 0 3 310.319 2.177 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)n(C)c2C)C1 ZINC001025615907 625651953 /nfs/dbraw/zinc/65/19/53/625651953.db2.gz XLWKJGAKFBDRFQ-GDBMZVCRSA-N 0 3 301.434 2.105 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001025614344 625649156 /nfs/dbraw/zinc/64/91/56/625649156.db2.gz KGXLPTMTXNTMKO-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)cn1 ZINC000970518953 623517035 /nfs/dbraw/zinc/51/70/35/623517035.db2.gz APJBWULIYADWHB-GOSISDBHSA-N 0 3 323.371 2.206 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3nccnc3c2)C1 ZINC001025614890 625651165 /nfs/dbraw/zinc/65/11/65/625651165.db2.gz PVZNXCZCNHTPSQ-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2sc(N(C)C)nc2C)C1 ZINC000970532009 623524386 /nfs/dbraw/zinc/52/43/86/623524386.db2.gz PCMGYUYRKUTTHQ-NSHDSACASA-N 0 3 322.478 2.144 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2oc(CC(C)C)nc2C)C1 ZINC000970546457 623533412 /nfs/dbraw/zinc/53/34/12/623533412.db2.gz BJEXKLMNVUQCKE-CYBMUJFWSA-N 0 3 317.433 2.255 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000970693282 623622837 /nfs/dbraw/zinc/62/28/37/623622837.db2.gz 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ZINC000947542483 625167325 /nfs/dbraw/zinc/16/73/25/625167325.db2.gz KCRIIXBSBVZBGU-MNOVXSKESA-N 0 3 312.364 2.126 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001027685216 634441574 /nfs/dbraw/zinc/44/15/74/634441574.db2.gz BTPWKPKNTUAWLS-RHSMWYFYSA-N 0 3 302.393 2.485 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001027685218 634441881 /nfs/dbraw/zinc/44/18/81/634441881.db2.gz BTPWKPKNTUAWLS-WMLDXEAASA-N 0 3 302.393 2.485 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001007371653 625226207 /nfs/dbraw/zinc/22/62/07/625226207.db2.gz ILDJTPGLNVBTCI-CYBMUJFWSA-N 0 3 304.438 2.478 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](F)Cc2ccccc2)C1 ZINC001027690930 634446137 /nfs/dbraw/zinc/44/61/37/634446137.db2.gz SHUVUPKLVKEQPB-DLBZAZTESA-N 0 3 302.393 2.123 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccn3c2CCCC3)C1 ZINC001023420574 625261960 /nfs/dbraw/zinc/26/19/60/625261960.db2.gz JTFOGBOUAOOFDF-MRXNPFEDSA-N 0 3 313.445 2.290 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccnc(F)c1 ZINC001025207424 625264900 /nfs/dbraw/zinc/26/49/00/625264900.db2.gz HZAIVZLJHUMNLR-HZPDHXFCSA-N 0 3 315.392 2.313 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1=COCCC1 ZINC001025208381 625265431 /nfs/dbraw/zinc/26/54/31/625265431.db2.gz USRIFGLPWRHGQN-IAGOWNOFSA-N 0 3 302.418 2.159 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ncoc1C ZINC001025208649 625266350 /nfs/dbraw/zinc/26/63/50/625266350.db2.gz XNZFQQSTKDCAKW-CVEARBPZSA-N 0 3 315.417 2.465 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001023443487 625270205 /nfs/dbraw/zinc/27/02/05/625270205.db2.gz NNBCRJAZJZHVAF-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001024459110 625783460 /nfs/dbraw/zinc/78/34/60/625783460.db2.gz NOWOSQGZPAAGLY-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3oc(C)nc32)C1 ZINC001027699070 634452958 /nfs/dbraw/zinc/45/29/58/634452958.db2.gz XACAGSXYJUWQNM-AWEZNQCLSA-N 0 3 311.385 2.306 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC2CC(S(C)(=O)=O)C2)c1 ZINC000892973438 625828276 /nfs/dbraw/zinc/82/82/76/625828276.db2.gz RCRDVPDBOFBDHZ-NPCAHTBFSA-N 0 3 322.430 2.033 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1COC ZINC001024528873 625845758 /nfs/dbraw/zinc/84/57/58/625845758.db2.gz NWTDKKNMCLURFC-QGZVFWFLSA-N 0 3 314.429 2.441 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001019959842 625863108 /nfs/dbraw/zinc/86/31/08/625863108.db2.gz KNIIAVGVJYBALZ-FBUXBERBSA-N 0 3 301.365 2.090 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)COC2CC2)cc1Cl ZINC000892498857 625903186 /nfs/dbraw/zinc/90/31/86/625903186.db2.gz OFOGHEOWMRQGQG-NSHDSACASA-N 0 3 322.748 2.175 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001024583230 625904961 /nfs/dbraw/zinc/90/49/61/625904961.db2.gz JJOIMEYGWFGAKX-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001024617044 625932543 /nfs/dbraw/zinc/93/25/43/625932543.db2.gz AHYHIUHFHKYWHX-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)c4c3CCC4)[C@@H]2C1 ZINC000979099853 634500563 /nfs/dbraw/zinc/50/05/63/634500563.db2.gz NUGBXCOMNNIPDK-LDLYASANSA-N 0 3 308.425 2.025 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C3CC3)on2)C1 ZINC000999192460 634512881 /nfs/dbraw/zinc/51/28/81/634512881.db2.gz LXHVBWYPWLCPLR-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ncccc2OC(C)C)C1 ZINC001016139638 634537570 /nfs/dbraw/zinc/53/75/70/634537570.db2.gz BWLIFZMFCMMPRA-AWEZNQCLSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnc(C3CC3)nc2)C1 ZINC000999509521 634614232 /nfs/dbraw/zinc/61/42/32/634614232.db2.gz FLQPBBVHPIPKDV-UHFFFAOYSA-N 0 3 320.824 2.299 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(C)nc2OC)C1 ZINC000999518738 634617252 /nfs/dbraw/zinc/61/72/52/634617252.db2.gz XJUQGIWSCIAHOR-UHFFFAOYSA-N 0 3 323.824 2.344 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]2C1 ZINC000979481974 634655779 /nfs/dbraw/zinc/65/57/79/634655779.db2.gz KGWTZOVXDMCVSY-HLLBOEOZSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC000999895050 634694107 /nfs/dbraw/zinc/69/41/07/634694107.db2.gz VPWFWLWMDNWOJO-STQMWFEESA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)C2CCOCC2)C1 ZINC000999931061 634710867 /nfs/dbraw/zinc/71/08/67/634710867.db2.gz PHLFHCDWAMLHRQ-GRTSSRMGSA-N 0 3 314.857 2.381 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001000091812 634738398 /nfs/dbraw/zinc/73/83/98/634738398.db2.gz JMDSBJWNAQFICG-FUHWJXTLSA-N 0 3 316.449 2.468 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cnc(C)s3)CC2)CC1 ZINC001000100476 634741264 /nfs/dbraw/zinc/74/12/64/634741264.db2.gz ICPCHXZAIUYOST-UHFFFAOYSA-N 0 3 317.458 2.449 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C(C)C)on3)CC2)CC1 ZINC001000222246 634800567 /nfs/dbraw/zinc/80/05/67/634800567.db2.gz GXGQWPAWOSTIHL-UHFFFAOYSA-N 0 3 315.417 2.406 20 30 DEEDHN CCn1c(C)nnc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000102206934 649987961 /nfs/dbraw/zinc/98/79/61/649987961.db2.gz CHXOQYUXTGANJA-SNVBAGLBSA-N 0 3 321.431 2.340 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OCCC)cc1 ZINC000836233507 650068496 /nfs/dbraw/zinc/06/84/96/650068496.db2.gz FKQUVWRMHDVSNJ-UHFFFAOYSA-N 0 3 317.433 2.230 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)Cc1ccccc1 ZINC000836277217 650073968 /nfs/dbraw/zinc/07/39/68/650073968.db2.gz KIJAXEZCZNEBPW-KRWDZBQOSA-N 0 3 301.434 2.262 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)c1ccccc1OC ZINC000836293304 650075762 /nfs/dbraw/zinc/07/57/62/650075762.db2.gz BBQCZKYHRVQRIZ-INIZCTEOSA-N 0 3 317.433 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCCc2sccc2C1 ZINC000836488245 650097684 /nfs/dbraw/zinc/09/76/84/650097684.db2.gz NQTSDLLTLYLBIK-UHFFFAOYSA-N 0 3 305.447 2.161 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001024702178 632932015 /nfs/dbraw/zinc/93/20/15/632932015.db2.gz PNFGUKPYSBRKJF-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC001003055562 635896424 /nfs/dbraw/zinc/89/64/24/635896424.db2.gz ISFSFWVCZAPMAN-SJORKVTESA-N 0 3 316.449 2.381 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001026831067 633152962 /nfs/dbraw/zinc/15/29/62/633152962.db2.gz RBTGXZNJKJOGEJ-DOMZBBRYSA-N 0 3 319.355 2.152 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974600095 633175193 /nfs/dbraw/zinc/17/51/93/633175193.db2.gz GJZDFSCKYQOMCE-CABCVRRESA-N 0 3 316.449 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)C(C)(C)C1 ZINC000974665748 633217853 /nfs/dbraw/zinc/21/78/53/633217853.db2.gz STPIYYKYUQCCAV-MRXNPFEDSA-N 0 3 317.433 2.104 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cnccc2C)C(C)(C)C1 ZINC000974698101 633248518 /nfs/dbraw/zinc/24/85/18/633248518.db2.gz HMQANUKYDBJFDA-MRXNPFEDSA-N 0 3 301.434 2.335 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(C)sc2C)C(C)(C)C1 ZINC000974714548 633263500 /nfs/dbraw/zinc/26/35/00/633263500.db2.gz ANCZCPPOCSRALF-ZDUSSCGKSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C(C)(C)C1 ZINC000974743837 633276946 /nfs/dbraw/zinc/27/69/46/633276946.db2.gz FUCATIRTWGJPIU-INIZCTEOSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C(C)(C)C1 ZINC000974752089 633287271 /nfs/dbraw/zinc/28/72/71/633287271.db2.gz KPTZZACEMMGYKT-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000974793067 633302637 /nfs/dbraw/zinc/30/26/37/633302637.db2.gz SHXZZWJWEBGLEF-DLBZAZTESA-N 0 3 314.429 2.393 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](CNCc3cnc(C)o3)C2)cc1 ZINC001026983917 633327655 /nfs/dbraw/zinc/32/76/55/633327655.db2.gz DENYFUJGAOXPPM-INIZCTEOSA-N 0 3 323.396 2.216 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN[C@@H](C)c2cnccn2)C1 ZINC001026992832 633338686 /nfs/dbraw/zinc/33/86/86/633338686.db2.gz TYDRVBVSCFQTMT-KBPBESRZSA-N 0 3 302.422 2.188 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001027040884 633373567 /nfs/dbraw/zinc/37/35/67/633373567.db2.gz LSJNRAWKOJKLTM-DYVFJYSZSA-N 0 3 321.421 2.224 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2CCC(OC)CC2)C(C)(C)C1 ZINC000974973105 633381841 /nfs/dbraw/zinc/38/18/41/633381841.db2.gz NLBNLLVNCXSBTO-GPANFISMSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnn(CCC(C)C)c2C)C1 ZINC001015969938 633517573 /nfs/dbraw/zinc/51/75/73/633517573.db2.gz ZPQLKKCQVQVPLW-MRXNPFEDSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnn(C3CCC3)c2)CC1 ZINC000997083761 633568938 /nfs/dbraw/zinc/56/89/38/633568938.db2.gz FFFFHJCDICPJLN-CQSZACIVSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000997097934 633575498 /nfs/dbraw/zinc/57/54/98/633575498.db2.gz MONIUJHAPSIIFG-CYBMUJFWSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000997146273 633625968 /nfs/dbraw/zinc/62/59/68/633625968.db2.gz JEUVMJZUUQHXIV-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000997167511 633662646 /nfs/dbraw/zinc/66/26/46/633662646.db2.gz IHEQKYMPKBHQEZ-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000997177357 633665464 /nfs/dbraw/zinc/66/54/64/633665464.db2.gz PMVWCRHZPSOYPG-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CC2CCC1CC2)C1CCN(C)CC1 ZINC000921547955 633667897 /nfs/dbraw/zinc/66/78/97/633667897.db2.gz SYQJPJAYTCSGOK-VMBOVVBDSA-N 0 3 303.450 2.304 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)ccc2OC)CC1 ZINC000997212866 633682561 /nfs/dbraw/zinc/68/25/61/633682561.db2.gz APEHLDJZCFNDTL-OAHLLOKOSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccn(C)c2C)CC1 ZINC000997293711 633698977 /nfs/dbraw/zinc/69/89/77/633698977.db2.gz HKHYDLYNTYSZFR-CQSZACIVSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccoc2C(F)(F)F)C1 ZINC001027427928 633770575 /nfs/dbraw/zinc/77/05/75/633770575.db2.gz NIIQIVUTHHAJPM-LLVKDONJSA-N 0 3 314.307 2.468 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001027447964 633799892 /nfs/dbraw/zinc/79/98/92/633799892.db2.gz CMQDFROLOFEUJR-MRXNPFEDSA-N 0 3 324.428 2.121 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN(C)CCN2CCCC2=O)cc1 ZINC000093320273 633800281 /nfs/dbraw/zinc/80/02/81/633800281.db2.gz FOVZUVBCDNYXSY-CQSZACIVSA-N 0 3 301.390 2.032 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC001027481980 633866337 /nfs/dbraw/zinc/86/63/37/633866337.db2.gz AHBWJVWZCLBWDI-OAHLLOKOSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000997609494 633898762 /nfs/dbraw/zinc/89/87/62/633898762.db2.gz AFEYKSCQCWKXLN-AWEZNQCLSA-N 0 3 316.449 2.102 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)COC3)C(C)(C)C1 ZINC000977316330 633922544 /nfs/dbraw/zinc/92/25/44/633922544.db2.gz MGVXMCRNHKHTAH-KRWDZBQOSA-N 0 3 312.413 2.180 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccn3ccnc3c2)CC1 ZINC000997670652 633924111 /nfs/dbraw/zinc/92/41/11/633924111.db2.gz SCVSQWRNLVPAFQ-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000997787686 633978025 /nfs/dbraw/zinc/97/80/25/633978025.db2.gz YPWOVVYDLMLTFD-WEFJBSGNSA-N 0 3 322.452 2.422 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CCN(CC#CC)CC1 ZINC000997793833 633981117 /nfs/dbraw/zinc/98/11/17/633981117.db2.gz NEFUBBDOXOVCGU-SZMVWBNQSA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c[nH]c3cccnc32)CC1 ZINC000997833009 634005078 /nfs/dbraw/zinc/00/50/78/634005078.db2.gz OJRYFUNMOUKAJG-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC[C@@H](C)F)CC2(C)C)cn1 ZINC000977528242 634027907 /nfs/dbraw/zinc/02/79/07/634027907.db2.gz UCXXMECNNCWXOV-CZUORRHYSA-N 0 3 317.408 2.251 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCCCO2)CC1 ZINC000997975180 634089047 /nfs/dbraw/zinc/08/90/47/634089047.db2.gz HZDFCPOVHWZZSV-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccnn2C(C)C)CC1 ZINC000998023600 634116219 /nfs/dbraw/zinc/11/62/19/634116219.db2.gz RSRQDSNSCPUOJN-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(COC)o2)CC1 ZINC000998060222 634127516 /nfs/dbraw/zinc/12/75/16/634127516.db2.gz XIZYGACBIFQLLZ-HNNXBMFYSA-N 0 3 318.417 2.376 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000998076491 634133372 /nfs/dbraw/zinc/13/33/72/634133372.db2.gz QCVUHBUBAWFIKJ-BBWFWOEESA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000998117058 634146019 /nfs/dbraw/zinc/14/60/19/634146019.db2.gz QGXZONWEJWDTFQ-HNNXBMFYSA-N 0 3 315.417 2.045 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000998123237 634146896 /nfs/dbraw/zinc/14/68/96/634146896.db2.gz AHGMTFIZOUHKQS-HNNXBMFYSA-N 0 3 314.433 2.237 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(OC)o2)CC1 ZINC000998162780 634156845 /nfs/dbraw/zinc/15/68/45/634156845.db2.gz VHJJCGJLQVGGOW-CQSZACIVSA-N 0 3 304.390 2.238 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2oc(CC)nc2C)CC1 ZINC000998172520 634159812 /nfs/dbraw/zinc/15/98/12/634159812.db2.gz WSIYEIISKNTAFT-HNNXBMFYSA-N 0 3 317.433 2.495 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000998231876 634177947 /nfs/dbraw/zinc/17/79/47/634177947.db2.gz LQCTWFAJOBVRQJ-BDAKNGLRSA-N 0 3 318.261 2.494 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccoc2)CC[C@H]1C(F)(F)F ZINC000998245007 634184905 /nfs/dbraw/zinc/18/49/05/634184905.db2.gz MOHFSRZPDHZKLN-VXGBXAGGSA-N 0 3 302.296 2.448 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cc(C#N)cs2)CN1C1CC1 ZINC000893537407 634219286 /nfs/dbraw/zinc/21/92/86/634219286.db2.gz PUCBZAGXINMZJR-DGCLKSJQSA-N 0 3 318.446 2.386 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)C3CC3)C2)cc1F ZINC000998354109 634226718 /nfs/dbraw/zinc/22/67/18/634226718.db2.gz VSPYWURPQHCZTI-OAHLLOKOSA-N 0 3 301.365 2.188 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC001027593566 634235835 /nfs/dbraw/zinc/23/58/35/634235835.db2.gz MLXJSXRDKGXAMJ-MRXNPFEDSA-N 0 3 322.412 2.042 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3sc(Cl)nc3C)[C@@H]2C1 ZINC000978203577 634242123 /nfs/dbraw/zinc/24/21/23/634242123.db2.gz MWOLKIURTXXAMK-CNDDSTCGSA-N 0 3 323.849 2.036 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2scnc2C2CC2)C1 ZINC001027608128 634280199 /nfs/dbraw/zinc/28/01/99/634280199.db2.gz MHRFPGVOEIVNMZ-ZDUSSCGKSA-N 0 3 303.431 2.190 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)oc(C)c3C)[C@@H]2C1 ZINC000978440628 634316265 /nfs/dbraw/zinc/31/62/65/634316265.db2.gz TYIUFMOWTJKLHW-PHZGNYQRSA-N 0 3 300.402 2.136 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccsc4[nH]3)[C@@H]2C1 ZINC000978552221 634352948 /nfs/dbraw/zinc/35/29/48/634352948.db2.gz PCPVTBMWBDQJBI-ZSOGYDGISA-N 0 3 313.426 2.160 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001027879320 634849315 /nfs/dbraw/zinc/84/93/15/634849315.db2.gz QIQYVZYAVXFPCC-CYBMUJFWSA-N 0 3 303.406 2.190 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001027881335 634852527 /nfs/dbraw/zinc/85/25/27/634852527.db2.gz NUJPKTOUJQWTFY-INIZCTEOSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ncccn3)C[C@@H]2C1 ZINC000980210577 634897278 /nfs/dbraw/zinc/89/72/78/634897278.db2.gz PTVNSFLDNKUOBT-BFHYXJOUSA-N 0 3 320.824 2.059 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC000980270590 634924270 /nfs/dbraw/zinc/92/42/70/634924270.db2.gz QETBCHKNBSMRPW-PKOBYXMFSA-N 0 3 314.429 2.411 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001027908339 634937095 /nfs/dbraw/zinc/93/70/95/634937095.db2.gz DHVVJCVJKPGZSH-AWEZNQCLSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001027916281 634957596 /nfs/dbraw/zinc/95/75/96/634957596.db2.gz HZOLKUVXLAYHDV-CQSZACIVSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC000980334739 634958599 /nfs/dbraw/zinc/95/85/99/634958599.db2.gz ZXWMLTLDWIKSEU-JKSUJKDBSA-N 0 3 302.418 2.481 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC000980409192 634991236 /nfs/dbraw/zinc/99/12/36/634991236.db2.gz RFAMMTFTSIKEKE-ZDUSSCGKSA-N 0 3 300.362 2.002 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC000980454625 635009390 /nfs/dbraw/zinc/00/93/90/635009390.db2.gz VLTLKQFGOLHAIK-WMZOPIPTSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccc(F)c(F)c2)C1 ZINC000980550521 635040970 /nfs/dbraw/zinc/04/09/70/635040970.db2.gz QADDKMBIAZBAPM-LBPRGKRZSA-N 0 3 310.344 2.062 20 30 DEEDHN Cc1nc(CNC[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)cs1 ZINC000980567403 635046257 /nfs/dbraw/zinc/04/62/57/635046257.db2.gz NIOWMLSHWMKTCF-SWLSCSKDSA-N 0 3 317.458 2.192 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc4c([nH]3)CCC4)CC2)CC1 ZINC001000317556 635143922 /nfs/dbraw/zinc/14/39/22/635143922.db2.gz PJJLJXDGROAZDE-UHFFFAOYSA-N 0 3 311.429 2.111 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc3ccccc3n2)CC1 ZINC001000777984 635307253 /nfs/dbraw/zinc/30/72/53/635307253.db2.gz RJZASZIYEYRHMV-UHFFFAOYSA-N 0 3 308.385 2.178 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn3cc(C)nc3s2)CC1 ZINC001000780054 635309061 /nfs/dbraw/zinc/30/90/61/635309061.db2.gz DWBKDFJEJBVNQS-UHFFFAOYSA-N 0 3 316.430 2.252 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C)nc3sccn32)CC1 ZINC001000850022 635326719 /nfs/dbraw/zinc/32/67/19/635326719.db2.gz YOQDHZAMDQCKDW-UHFFFAOYSA-N 0 3 316.430 2.252 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(-c3cccnc3)on2)CC1 ZINC001001109298 635407455 /nfs/dbraw/zinc/40/74/55/635407455.db2.gz MJUSMSOIKMMSFL-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(C3CC3)nn2C)CC1 ZINC000981268861 635416626 /nfs/dbraw/zinc/41/66/26/635416626.db2.gz NZJWUOLWFCPXFN-UHFFFAOYSA-N 0 3 302.422 2.022 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000981300121 635427559 /nfs/dbraw/zinc/42/75/59/635427559.db2.gz JFWNGLOYMSYVQJ-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(C(C)C)[nH]c2=O)CC1 ZINC001001229498 635431387 /nfs/dbraw/zinc/43/13/87/635431387.db2.gz JWOUUHOMQJDXEP-UHFFFAOYSA-N 0 3 315.417 2.459 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001028093296 635474552 /nfs/dbraw/zinc/47/45/52/635474552.db2.gz JPMGBKVVIYCOHC-UKRRQHHQSA-N 0 3 318.421 2.032 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001028100483 635523292 /nfs/dbraw/zinc/52/32/92/635523292.db2.gz FRASSCOKAIZQCO-OAHLLOKOSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2coc(C(F)(F)F)n2)CC1 ZINC000981550139 635523969 /nfs/dbraw/zinc/52/39/69/635523969.db2.gz XYLGOKRZUIEJJY-UHFFFAOYSA-N 0 3 317.311 2.417 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cncc3[nH]ccc32)CC1 ZINC001001591046 635529581 /nfs/dbraw/zinc/52/95/81/635529581.db2.gz JZXNXHALWMPRIG-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)ccc2OC)CC1 ZINC001001597819 635529941 /nfs/dbraw/zinc/52/99/41/635529941.db2.gz HTDNZRUXINPBDA-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1occc1CN(C)C ZINC001028105697 635550375 /nfs/dbraw/zinc/55/03/75/635550375.db2.gz YTGNDVOHVNJTRQ-HNNXBMFYSA-N 0 3 305.422 2.112 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnc3ccc(C)cn32)CC1 ZINC000981611856 635559413 /nfs/dbraw/zinc/55/94/13/635559413.db2.gz LSBJOEFQXOTOQI-UHFFFAOYSA-N 0 3 312.417 2.367 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC001001969870 635588296 /nfs/dbraw/zinc/58/82/96/635588296.db2.gz ICHMDXDJGBJJBG-IAGOWNOFSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC001001975197 635589670 /nfs/dbraw/zinc/58/96/70/635589670.db2.gz UVKYLQYTRJHKKA-MSOLQXFVSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)CC1 ZINC001002006496 635600747 /nfs/dbraw/zinc/60/07/47/635600747.db2.gz UVSIZNMVKAKUTR-CTNGQTDRSA-N 0 3 322.452 2.352 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC000981716547 635605384 /nfs/dbraw/zinc/60/53/84/635605384.db2.gz BXYAJKJQTLYFET-UHFFFAOYSA-N 0 3 303.406 2.128 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnn([C@@H](C)CC)c2C)CC1 ZINC001002028538 635606478 /nfs/dbraw/zinc/60/64/78/635606478.db2.gz CAIFNQJUAWCWCF-AWEZNQCLSA-N 0 3 316.449 2.238 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000981723775 635610227 /nfs/dbraw/zinc/61/02/27/635610227.db2.gz MBAHRXTWQZZDBR-UHFFFAOYSA-N 0 3 320.437 2.236 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cn3c(cccc3C)n2)CC1 ZINC001002106548 635620389 /nfs/dbraw/zinc/62/03/89/635620389.db2.gz KYDVYZYHCFLPID-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(C)nsc2C)CC1 ZINC001002152984 635627953 /nfs/dbraw/zinc/62/79/53/635627953.db2.gz KJSDPQZCVBOQDH-UHFFFAOYSA-N 0 3 305.447 2.225 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2csc(C3CC3)n2)CC1 ZINC001002165785 635631657 /nfs/dbraw/zinc/63/16/57/635631657.db2.gz LZTQDSHJSOTCDK-UHFFFAOYSA-N 0 3 303.431 2.096 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC001002171241 635633735 /nfs/dbraw/zinc/63/37/35/635633735.db2.gz LLDPRLNUZFHSFP-KBXCAEBGSA-N 0 3 312.413 2.013 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3C(C)C)C2)C1 ZINC000981807120 635664459 /nfs/dbraw/zinc/66/44/59/635664459.db2.gz WEKZMBBDPDKJPP-CVEARBPZSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3ocnc3CC)C2)C1 ZINC000982002638 635805316 /nfs/dbraw/zinc/80/53/16/635805316.db2.gz STFYREDEAJWSDU-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001028205341 635823260 /nfs/dbraw/zinc/82/32/60/635823260.db2.gz JBZYTOYOCRJBNJ-WMLDXEAASA-N 0 3 312.413 2.228 20 30 DEEDHN Cc1nc([C@@H]2CCN(CCCC3(C#N)CCOCC3)C2)no1 ZINC000931938306 635830161 /nfs/dbraw/zinc/83/01/61/635830161.db2.gz OTVTXSIPJWWLOS-CQSZACIVSA-N 0 3 304.394 2.268 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000982033997 635832494 /nfs/dbraw/zinc/83/24/94/635832494.db2.gz ZYYHKFKSEFCFKV-LJQANCHMSA-N 0 3 310.441 2.349 20 30 DEEDHN CC#CCN1CCC(NC(=O)c2sccc2CN(C)C)CC1 ZINC001002938843 635850045 /nfs/dbraw/zinc/85/00/45/635850045.db2.gz MXBJJEMMASNNFW-UHFFFAOYSA-N 0 3 319.474 2.027 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cn(C)nc3Cl)C2)C1 ZINC000982114886 635875843 /nfs/dbraw/zinc/87/58/43/635875843.db2.gz IRXQBXIPXSEXPB-UHFFFAOYSA-N 0 3 322.840 2.188 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3oc(C)nc3C)C[C@]2(C)C1 ZINC000982245686 635917184 /nfs/dbraw/zinc/91/71/84/635917184.db2.gz MTXANWPRPSFQRE-CALCHBBNSA-N 0 3 303.406 2.261 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cnccc3C)C[C@]2(C)C1 ZINC000982244367 635917367 /nfs/dbraw/zinc/91/73/67/635917367.db2.gz TYOIEFBGPSWSMQ-KDURUIRLSA-N 0 3 311.429 2.197 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)[nH]cc2NC(C)=O)CC1 ZINC001003215969 635926437 /nfs/dbraw/zinc/92/64/37/635926437.db2.gz UYUHLUCHVVGCCN-UHFFFAOYSA-N 0 3 318.421 2.052 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@@H](F)C3)C[C@]2(C)C1 ZINC000982279776 635942787 /nfs/dbraw/zinc/94/27/87/635942787.db2.gz HWMHLXDQYHQHOD-AHCXZYCDSA-N 0 3 306.425 2.318 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001028240625 635948451 /nfs/dbraw/zinc/94/84/51/635948451.db2.gz BEEMEWPZARTRKO-QGZVFWFLSA-N 0 3 309.413 2.396 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3nn(C)cc3Cl)C[C@]2(C)C1 ZINC000982289723 635949925 /nfs/dbraw/zinc/94/99/25/635949925.db2.gz ZDZOIHJHXUHILT-IYBDPMFKSA-N 0 3 322.840 2.044 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC001028256343 635968651 /nfs/dbraw/zinc/96/86/51/635968651.db2.gz DMNXNJPTYWSTAV-MRXNPFEDSA-N 0 3 315.417 2.086 20 30 DEEDHN CON1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000922196447 635988843 /nfs/dbraw/zinc/98/88/43/635988843.db2.gz WSHRNJSEXNXDNZ-UHFFFAOYSA-N 0 3 324.222 2.436 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001028283260 636020104 /nfs/dbraw/zinc/02/01/04/636020104.db2.gz ZQHGYUZNJAUGDJ-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2snnc2C(C)C)CC1 ZINC001003832002 636060886 /nfs/dbraw/zinc/06/08/86/636060886.db2.gz ODVPAYUMGPTHFK-UHFFFAOYSA-N 0 3 308.451 2.432 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001028352382 636144778 /nfs/dbraw/zinc/14/47/78/636144778.db2.gz ZBVCBFCFJZSVHE-GDBMZVCRSA-N 0 3 300.402 2.319 20 30 DEEDHN Cc1ocnc1C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001028427736 636191081 /nfs/dbraw/zinc/19/10/81/636191081.db2.gz IRDUTUCRIGAUEN-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(P(C)(C)=O)cc2)CC1 ZINC001004193368 636213544 /nfs/dbraw/zinc/21/35/44/636213544.db2.gz ONYHJMXMLGOWFH-UHFFFAOYSA-N 0 3 320.373 2.315 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1CCC(SC)CC1 ZINC000922628476 636287042 /nfs/dbraw/zinc/28/70/42/636287042.db2.gz RADKMDCBMVFTJO-UHFFFAOYSA-N 0 3 311.495 2.163 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001028640536 636537374 /nfs/dbraw/zinc/53/73/74/636537374.db2.gz QLQJZTDKGZTTBZ-LBPRGKRZSA-N 0 3 308.784 2.472 20 30 DEEDHN N#CC(C(=O)CCNC(=O)c1ccco1)c1nc2ccccc2[nH]1 ZINC000073972628 636578547 /nfs/dbraw/zinc/57/85/47/636578547.db2.gz IOFRWTOVBYDBCL-NSHDSACASA-N 0 3 322.324 2.152 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2c(F)ccc(F)c2OC)C1 ZINC001028734007 636680502 /nfs/dbraw/zinc/68/05/02/636680502.db2.gz NXHYUDJHONBMOW-GFCCVEGCSA-N 0 3 322.355 2.048 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001028764638 636716626 /nfs/dbraw/zinc/71/66/26/636716626.db2.gz KYHGZFWDGWIUCE-ZDUSSCGKSA-N 0 3 312.369 2.126 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001028781212 636731960 /nfs/dbraw/zinc/73/19/60/636731960.db2.gz SEDHCNPWYIHZIX-CYBMUJFWSA-N 0 3 306.356 2.348 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccnn2C(F)F)CC1 ZINC001005440251 636741049 /nfs/dbraw/zinc/74/10/49/636741049.db2.gz LNAHPAVQCVOPLN-UHFFFAOYSA-N 0 3 312.364 2.391 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2scnc2C2CC2)C1 ZINC001028854686 636793193 /nfs/dbraw/zinc/79/31/93/636793193.db2.gz KZDSCVDQLSYGIH-LBPRGKRZSA-N 0 3 303.431 2.096 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccc3c(c2)CCOC3)CC1 ZINC001005698415 636821145 /nfs/dbraw/zinc/82/11/45/636821145.db2.gz FMEGQCRFSDEZRY-UHFFFAOYSA-N 0 3 314.429 2.482 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cnn(CCCC)c2C)C1 ZINC001028920127 636852231 /nfs/dbraw/zinc/85/22/31/636852231.db2.gz PHYQRHXUDHOKSS-MRXNPFEDSA-N 0 3 316.449 2.067 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001028973344 636914042 /nfs/dbraw/zinc/91/40/42/636914042.db2.gz IEWCYEKJBNPNTK-INIZCTEOSA-N 0 3 314.429 2.406 20 30 DEEDHN CNc1cc(NC2CCN(Cc3cccc(C#N)c3)CC2)ncn1 ZINC000894408965 637011180 /nfs/dbraw/zinc/01/11/80/637011180.db2.gz YNHLNVSGKBQYKU-UHFFFAOYSA-N 0 3 322.416 2.466 20 30 DEEDHN O=C(N1CCCC1)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC000894407850 637012890 /nfs/dbraw/zinc/01/28/90/637012890.db2.gz XPGDYFGAIRBWHS-SFHVURJKSA-N 0 3 311.429 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000947972224 637030483 /nfs/dbraw/zinc/03/04/83/637030483.db2.gz ZGMJIWGRKRKTAR-WBVHZDCISA-N 0 3 313.445 2.359 20 30 DEEDHN Cc1cnc(CN[C@H](C)C2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC001029069211 637038934 /nfs/dbraw/zinc/03/89/34/637038934.db2.gz OIZBQTPCJXCMKY-DGCLKSJQSA-N 0 3 320.462 2.328 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)C1CCN(C)CC1 ZINC000923277280 637075554 /nfs/dbraw/zinc/07/55/54/637075554.db2.gz LFHUFNGGDKDRQN-VYDXJSESSA-N 0 3 303.450 2.162 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCCC12CC2)C1CCN(C)CC1 ZINC000923485831 637205682 /nfs/dbraw/zinc/20/56/82/637205682.db2.gz MOENYPNHXHNUND-HNNXBMFYSA-N 0 3 303.450 2.306 20 30 DEEDHN C=CCONC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000838713956 637637683 /nfs/dbraw/zinc/63/76/83/637637683.db2.gz WRKXOUCBLMAEGZ-AWEZNQCLSA-N 0 3 309.435 2.428 20 30 DEEDHN COc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC(C)C ZINC000103330333 637818763 /nfs/dbraw/zinc/81/87/63/637818763.db2.gz JNDWEAITDDPBSU-JSGCOSHPSA-N 0 3 302.374 2.422 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1CCOC1 ZINC000740536470 637866711 /nfs/dbraw/zinc/86/67/11/637866711.db2.gz UJVJHUXSUGNDJC-STQMWFEESA-N 0 3 316.357 2.159 20 30 DEEDHN C(=NNC1CCCC1)c1c(N2CCOCC2)nc2ccccn21 ZINC000741809235 638017205 /nfs/dbraw/zinc/01/72/05/638017205.db2.gz 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/nfs/dbraw/zinc/35/12/01/639351201.db2.gz PGXGFKXPEKCHLY-GFCCVEGCSA-N 0 3 303.431 2.310 20 30 DEEDHN CN(C)CCN(C(=O)NCc1nc(C#N)cs1)C1CCCC1 ZINC000897289267 639371194 /nfs/dbraw/zinc/37/11/94/639371194.db2.gz OGCNJDHFBNGHBV-UHFFFAOYSA-N 0 3 321.450 2.031 20 30 DEEDHN C=C(C)[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)OCC ZINC000756519061 639668641 /nfs/dbraw/zinc/66/86/41/639668641.db2.gz BGVGLUKRSLTIFT-GXTWGEPZSA-N 0 3 301.346 2.100 20 30 DEEDHN CSCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC000985938908 639700229 /nfs/dbraw/zinc/70/02/29/639700229.db2.gz FGLYCKMKBYNBTC-GWCFXTLKSA-N 0 3 309.460 2.062 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(C(=O)C(C)C)[C@@H]1C ZINC000985991502 639719010 /nfs/dbraw/zinc/71/90/10/639719010.db2.gz AOVLJZNRNDCFHG-CJNGLKHVSA-N 0 3 315.417 2.302 20 30 DEEDHN C=C(C)[C@@H](CO)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679976 639805177 /nfs/dbraw/zinc/80/51/77/639805177.db2.gz QJSKUZOLFHDUIH-RHSMWYFYSA-N 0 3 310.438 2.399 20 30 DEEDHN C[C@@H](O)CN(C)N=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000841653258 650530202 /nfs/dbraw/zinc/53/02/02/650530202.db2.gz GPOUXPHGXXYAHB-CQSZACIVSA-N 0 3 307.413 2.133 20 30 DEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)c1cnco1 ZINC000986617372 639958507 /nfs/dbraw/zinc/95/85/07/639958507.db2.gz NAUQCMJSGIKFPT-MFKMUULPSA-N 0 3 316.386 2.001 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1C(=O)C(F)F ZINC000987698281 640260881 /nfs/dbraw/zinc/26/08/81/640260881.db2.gz TYBRIOWUGVZBNT-SKDRFNHKSA-N 0 3 311.307 2.041 20 30 DEEDHN C=CCN1CC(=O)N([C@H]2CCN([C@H](C)c3ccccc3)C2)C1=O ZINC000761150077 640278868 /nfs/dbraw/zinc/27/88/68/640278868.db2.gz JAZFRQYSUGVSAT-ZBFHGGJFSA-N 0 3 313.401 2.272 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccsc2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988500093 640507358 /nfs/dbraw/zinc/50/73/58/640507358.db2.gz JPXJGDBGBUTYJA-SMDDNHRTSA-N 0 3 314.414 2.341 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccsc2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988631945 640556407 /nfs/dbraw/zinc/55/64/07/640556407.db2.gz IZGBJOMCXJIUCU-IAQYHMDHSA-N 0 3 314.414 2.341 20 30 DEEDHN CCCCCCC[C@H](C)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000763969417 640590934 /nfs/dbraw/zinc/59/09/34/640590934.db2.gz QAYVPPPXJROQBJ-DLBZAZTESA-N 0 3 309.498 2.489 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC000988969516 640699896 /nfs/dbraw/zinc/69/98/96/640699896.db2.gz WZFKRJDMCPLXKG-TZMCWYRMSA-N 0 3 313.376 2.143 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)C2CCc3ccccc3CC2)C1 ZINC000989073051 640717601 /nfs/dbraw/zinc/71/76/01/640717601.db2.gz HFORKUUQYMGLPV-KXBFYZLASA-N 0 3 310.441 2.394 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCN(c3ccncc3OC)CC2)cc1 ZINC000897628261 640879007 /nfs/dbraw/zinc/87/90/07/640879007.db2.gz BQJOUXHLXVYJRV-UHFFFAOYSA-N 0 3 321.380 2.034 20 30 DEEDHN C#CCCN1CCCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000989567192 641147932 /nfs/dbraw/zinc/14/79/32/641147932.db2.gz DJYOCRFFMIRTSU-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2Cl)C1 ZINC000989568800 641148632 /nfs/dbraw/zinc/14/86/32/641148632.db2.gz NVTOMNMOOJEHFQ-NWDGAFQWSA-N 0 3 306.793 2.174 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000989583826 641154456 /nfs/dbraw/zinc/15/44/56/641154456.db2.gz RGVGLZXWLURCAZ-WMLDXEAASA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000989690325 641196624 /nfs/dbraw/zinc/19/66/24/641196624.db2.gz KOYCNNMELAHXTO-ZFWWWQNUSA-N 0 3 309.369 2.167 20 30 DEEDHN C=CCN1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737402 641215559 /nfs/dbraw/zinc/21/55/59/641215559.db2.gz PBKBFMACXGLEKT-UHFFFAOYSA-N 0 3 301.434 2.082 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2csc3c2CCCC3)C1 ZINC000989763317 641220592 /nfs/dbraw/zinc/22/05/92/641220592.db2.gz QVWSLZNHMGHJMH-STQMWFEESA-N 0 3 302.443 2.453 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000989752367 641222083 /nfs/dbraw/zinc/22/20/83/641222083.db2.gz LVJAXLWCPQRKCC-GDBMZVCRSA-N 0 3 309.413 2.313 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)nc3ccccc32)C1 ZINC000989753123 641223133 /nfs/dbraw/zinc/22/31/33/641223133.db2.gz RVYVFMYCCHGZDB-LSDHHAIUSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cccc(F)c3o2)C1 ZINC000989822064 641243127 /nfs/dbraw/zinc/24/31/27/641243127.db2.gz BBMAEZUSTZZVEB-WCQYABFASA-N 0 3 300.333 2.398 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2C[C@@H](NCCF)C[C@@H]2C)cc1 ZINC000989839067 641247296 /nfs/dbraw/zinc/24/72/96/641247296.db2.gz UADBGCSGYCEUFK-HOCLYGCPSA-N 0 3 320.408 2.342 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3n2CC)C1 ZINC000989827100 641249454 /nfs/dbraw/zinc/24/94/54/641249454.db2.gz YGLQMMQHZVMGTP-GDBMZVCRSA-N 0 3 309.413 2.487 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2cccc(F)c2F)C1 ZINC000989857605 641258808 /nfs/dbraw/zinc/25/88/08/641258808.db2.gz OXNZETDTBZWRHO-TZMCWYRMSA-N 0 3 306.356 2.110 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cnc(C)cn3)CCC[C@H]12 ZINC000989926007 641296311 /nfs/dbraw/zinc/29/63/11/641296311.db2.gz UDZFDACECNQJLB-DOTOQJQBSA-N 0 3 300.406 2.088 20 30 DEEDHN CN(CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000772647528 641669005 /nfs/dbraw/zinc/66/90/05/641669005.db2.gz ZUUVOSUSVOWGSE-MRXNPFEDSA-N 0 3 313.401 2.281 20 30 DEEDHN C#CCOCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772688704 641675107 /nfs/dbraw/zinc/67/51/07/641675107.db2.gz FALNWWIBXXZZSX-UHFFFAOYSA-N 0 3 305.374 2.075 20 30 DEEDHN CC[C@@H](C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)N(C)C ZINC000899096269 641930137 /nfs/dbraw/zinc/93/01/37/641930137.db2.gz UAKZDMJJWWKVAF-LURJTMIESA-N 0 3 312.229 2.276 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)c1 ZINC000775227413 642018212 /nfs/dbraw/zinc/01/82/12/642018212.db2.gz PENNGHAIZLFVOW-OAHLLOKOSA-N 0 3 312.325 2.487 20 30 DEEDHN C#C[C@H](NC[C@@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCCO1 ZINC000775790002 642096177 /nfs/dbraw/zinc/09/61/77/642096177.db2.gz OWKKADROTIZEMQ-SQNIBIBYSA-N 0 3 317.429 2.122 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000776077719 642128827 /nfs/dbraw/zinc/12/88/27/642128827.db2.gz QTBAYGYEXHCKHF-QWHCGFSZSA-N 0 3 302.761 2.357 20 30 DEEDHN CN(C)c1ccncc1C=NN1C(=S)N=NC1C(C)(C)C ZINC000776178701 642139637 /nfs/dbraw/zinc/13/96/37/642139637.db2.gz CDUKBIKKJWUXRH-UHFFFAOYSA-N 0 3 304.423 2.208 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)nn1 ZINC000899885850 642202742 /nfs/dbraw/zinc/20/27/42/642202742.db2.gz JFRPTYOYGSILDQ-RHSMWYFYSA-N 0 3 314.437 2.007 20 30 DEEDHN C=CCOc1cccc(NC(=O)c2ccnn2CCN(C)C)c1 ZINC000900350784 642335237 /nfs/dbraw/zinc/33/52/37/642335237.db2.gz OOBWNANFYHGRLR-UHFFFAOYSA-N 0 3 314.389 2.262 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCC1(C(N)=O)CCCC1 ZINC000778168412 642346753 /nfs/dbraw/zinc/34/67/53/642346753.db2.gz DGBYVZWTXKNCKQ-UHFFFAOYSA-N 0 3 320.820 2.487 20 30 DEEDHN N#CC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CCOCC1 ZINC000900727269 642446061 /nfs/dbraw/zinc/44/60/61/642446061.db2.gz QXAWBYMAJBUBQS-UHFFFAOYSA-N 0 3 312.373 2.093 20 30 DEEDHN C#Cc1cccc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000779353666 642490556 /nfs/dbraw/zinc/49/05/56/642490556.db2.gz OEWMOWHRYYKULC-HUUCEWRRSA-N 0 3 303.431 2.177 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000435699316 642535885 /nfs/dbraw/zinc/53/58/85/642535885.db2.gz ZOLPIVZSQJQXIS-UHFFFAOYSA-N 0 3 313.405 2.037 20 30 DEEDHN CC(CSc1ccccc1[N+](=O)[O-])=NNC1=N[C@@H](C)CN1 ZINC000779792794 642539036 /nfs/dbraw/zinc/53/90/36/642539036.db2.gz UJXRULCQWOPBHB-VIFPVBQESA-N 0 3 307.379 2.000 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccnc(C2CC2)c1 ZINC000783365026 642997377 /nfs/dbraw/zinc/99/73/77/642997377.db2.gz XYGVLGMQQBUVLF-ZDUSSCGKSA-N 0 3 306.325 2.315 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccccc1)C1CCOCC1 ZINC000783530861 643015294 /nfs/dbraw/zinc/01/52/94/643015294.db2.gz CXYPZXSJGQTOTC-KRWDZBQOSA-N 0 3 323.458 2.345 20 30 DEEDHN C[C@@H](NCCCNC(=O)c1cccs1)c1cc(C#N)ccn1 ZINC000902867101 643165174 /nfs/dbraw/zinc/16/51/74/643165174.db2.gz XFNRLSVOUDQBQB-GFCCVEGCSA-N 0 3 314.414 2.485 20 30 DEEDHN C[C@H](NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(C#N)ccn1 ZINC000902982559 643210525 /nfs/dbraw/zinc/21/05/25/643210525.db2.gz KYFPUXCSVFTVGZ-YSVLISHTSA-N 0 3 315.417 2.172 20 30 DEEDHN COc1ccc([C@H](CO)CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000903016783 643217616 /nfs/dbraw/zinc/21/76/16/643217616.db2.gz HSDXMWOGMGDGNX-BBRMVZONSA-N 0 3 311.385 2.389 20 30 DEEDHN C#CCCCCCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000785438553 643235706 /nfs/dbraw/zinc/23/57/06/643235706.db2.gz ITHDUHKJFJIGAR-MRXNPFEDSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCC[C@H](N[C@H](CO)c1ccnn1C)[C@]1(C)CCCCO1 ZINC000903065205 643235832 /nfs/dbraw/zinc/23/58/32/643235832.db2.gz QAKNNYJFOHMDSF-PVAVHDDUSA-N 0 3 307.438 2.337 20 30 DEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786517416 643377793 /nfs/dbraw/zinc/37/77/93/643377793.db2.gz FBUSKIMQOTWCTM-AWEZNQCLSA-N 0 3 302.374 2.135 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)Cc3cc(C4CC4)no3)CCC[C@@H]12 ZINC000991042436 643601054 /nfs/dbraw/zinc/60/10/54/643601054.db2.gz MRPIFGWIOPWTHN-AEFFLSMTSA-N 0 3 315.417 2.394 20 30 DEEDHN COC(=O)CCN1CCC(N=Nc2ncccc2Cl)CC1 ZINC000788714702 643638064 /nfs/dbraw/zinc/63/80/64/643638064.db2.gz LLQFVZXOIQLALO-UHFFFAOYSA-N 0 3 310.785 2.162 20 30 DEEDHN COc1cc(F)cc(OC)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905083421 643779113 /nfs/dbraw/zinc/77/91/13/643779113.db2.gz DDJUICUFWZCMPF-VSBFRKNKSA-N 0 3 303.293 2.275 20 30 DEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(F)c1OC ZINC000905085611 643779642 /nfs/dbraw/zinc/77/96/42/643779642.db2.gz OSUCGPSYOGGAFH-KZSPTFSBSA-N 0 3 303.293 2.275 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCCc2cccnc21 ZINC000905603456 643960737 /nfs/dbraw/zinc/96/07/37/643960737.db2.gz WXCWQXDBXHCQKV-SJORKVTESA-N 0 3 323.396 2.360 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCc4nccn43)CCC[C@@H]12 ZINC000991071535 644003200 /nfs/dbraw/zinc/00/32/00/644003200.db2.gz ZCBRXWWWTMUXCT-HDMKZQKVSA-N 0 3 314.433 2.060 20 30 DEEDHN C[C@H](N[C@H]1COC[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000905862897 644063000 /nfs/dbraw/zinc/06/30/00/644063000.db2.gz BCIFGVVFHWAZMS-XEZPLFJOSA-N 0 3 319.380 2.085 20 30 DEEDHN Cc1nc(CNC[C@H](O)c2ccc(C#N)cc2)ccc1[C@H](C)O ZINC000843106459 650895574 /nfs/dbraw/zinc/89/55/74/650895574.db2.gz LJGLJRREKDCZDH-UGSOOPFHSA-N 0 3 311.385 2.138 20 30 DEEDHN CN1CCCC[C@H]1CCn1cc2c(c(C#N)c1=O)CCCC2=O ZINC000906507194 644275713 /nfs/dbraw/zinc/27/57/13/644275713.db2.gz HSXULUKSLBXFOJ-ZDUSSCGKSA-N 0 3 313.401 2.113 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000796745201 644785162 /nfs/dbraw/zinc/78/51/62/644785162.db2.gz LJNPCSFVHOZKRU-IXPVHAAZSA-N 0 3 320.414 2.231 20 30 DEEDHN Cc1cc(C)cc([C@H](O)CNCc2cnc3c(C#N)cnn3c2)c1 ZINC000843406713 650968313 /nfs/dbraw/zinc/96/83/13/650968313.db2.gz ABDJFUPDTBSDDB-QGZVFWFLSA-N 0 3 321.384 2.041 20 30 DEEDHN CCN(C)c1ccc(C(C)=NNCCCN2CCOCC2)cc1 ZINC000799489294 645180053 /nfs/dbraw/zinc/18/00/53/645180053.db2.gz RAMQLMPWUHRKIT-UHFFFAOYSA-N 0 3 318.465 2.179 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1 ZINC000800386984 645265308 /nfs/dbraw/zinc/26/53/08/645265308.db2.gz 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/nfs/dbraw/zinc/04/91/59/646049159.db2.gz YPDSQUDXOPEPLU-GOSISDBHSA-N 0 3 308.385 2.254 20 30 DEEDHN C#Cc1ccc(CN(CCC(=O)OC)C[C@H]2CCCO2)cc1 ZINC000809578132 646241447 /nfs/dbraw/zinc/24/14/47/646241447.db2.gz HXIPFIZOUNVVTQ-QGZVFWFLSA-N 0 3 301.386 2.212 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810530300 646371691 /nfs/dbraw/zinc/37/16/91/646371691.db2.gz AEIDZSFXKZQMIT-NWDGAFQWSA-N 0 3 318.398 2.486 20 30 DEEDHN C#Cc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000810530289 646372278 /nfs/dbraw/zinc/37/22/78/646372278.db2.gz ZZYSMALPFKMMQC-KRWDZBQOSA-N 0 3 308.381 2.368 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)nnc3CC)CCC[C@H]12 ZINC000991477746 646403261 /nfs/dbraw/zinc/40/32/61/646403261.db2.gz YLUMHKMCKQGURY-WMZOPIPTSA-N 0 3 314.433 2.260 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(OC)c3)CCC[C@H]12 ZINC000991537830 646476464 /nfs/dbraw/zinc/47/64/64/646476464.db2.gz NFGRGCQSNBATPK-YOEHRIQHSA-N 0 3 301.390 2.003 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cccn4nccc34)CCC[C@H]12 ZINC000991588635 646523440 /nfs/dbraw/zinc/52/34/40/646523440.db2.gz AJMUNZLJRAZCCX-FUHWJXTLSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCCN1CC[C@@]2(NC(=O)c3snnc3CC)CCC[C@@H]12 ZINC000991679935 646579125 /nfs/dbraw/zinc/57/91/25/646579125.db2.gz MPYMNJACCUAVRE-CJNGLKHVSA-N 0 3 320.462 2.403 20 30 DEEDHN N#CC(C(=O)CSC[C@H]1CCCCO1)C(=O)NC1CCCC1 ZINC000171366992 646698264 /nfs/dbraw/zinc/69/82/64/646698264.db2.gz LBVYKDBVPFNLSM-ZIAGYGMSSA-N 0 3 324.446 2.056 20 30 DEEDHN COC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000813059916 646722333 /nfs/dbraw/zinc/72/23/33/646722333.db2.gz LEICNOBOWDSRNS-YWPYICTPSA-N 0 3 318.373 2.261 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3sc(C)nc3C)CCC[C@H]12 ZINC000991934796 646778845 /nfs/dbraw/zinc/77/88/45/646778845.db2.gz PRJPXDIARWXSNR-DOTOQJQBSA-N 0 3 317.458 2.049 20 30 DEEDHN N#CC(C(=O)CCC1CCOCC1)C(=O)NCc1ccccc1 ZINC000173955148 646784790 /nfs/dbraw/zinc/78/47/90/646784790.db2.gz DTWILSCFJCMFAV-INIZCTEOSA-N 0 3 314.385 2.218 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cccnc3OC)CCC[C@H]12 ZINC000992168692 646882871 /nfs/dbraw/zinc/88/28/71/646882871.db2.gz JRDMVQMJGDGOOI-WMLDXEAASA-N 0 3 301.390 2.003 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3nccc4[nH]ccc43)CCC[C@@H]12 ZINC000992205600 646901500 /nfs/dbraw/zinc/90/15/00/646901500.db2.gz FXYYBPQAUMREAK-APWZRJJASA-N 0 3 322.412 2.313 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc(C4CC4)nc3)CCC[C@H]12 ZINC000992283899 646928371 /nfs/dbraw/zinc/92/83/71/646928371.db2.gz GGBQVDNSKNKRLY-YJBOKZPZSA-N 0 3 312.417 2.267 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cn(C)nc3Cl)CCC[C@H]12 ZINC000992419532 646989133 /nfs/dbraw/zinc/98/91/33/646989133.db2.gz UTFIOFYVCNNVFA-XJKSGUPXSA-N 0 3 322.840 2.376 20 30 DEEDHN CO[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000815907393 647064490 /nfs/dbraw/zinc/06/44/90/647064490.db2.gz ZOFJSLOGFBJTDJ-XHSDSOJGSA-N 0 3 314.385 2.217 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3csc(COC)n3)CCC[C@H]12 ZINC000992521084 647086549 /nfs/dbraw/zinc/08/65/49/647086549.db2.gz 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/nfs/dbraw/zinc/68/58/21/647685821.db2.gz PRMCDKKBQZVDGD-DOMZBBRYSA-N 0 3 319.474 2.295 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cnccc2OC)[C@@H]1C ZINC000993487728 647685866 /nfs/dbraw/zinc/68/58/66/647685866.db2.gz HMLKYIMPPCOPNH-GOEBONIOSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2sc(C)nc2C)[C@@H]1C ZINC000993612049 647706894 /nfs/dbraw/zinc/70/68/94/647706894.db2.gz NEDAMYITLVEONL-JSGCOSHPSA-N 0 3 307.463 2.458 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ncccc2F)[C@@H]1C ZINC000993706517 647727942 /nfs/dbraw/zinc/72/79/42/647727942.db2.gz XAYURVJNAYCZMW-DZGCQCFKSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC000993751893 647739333 /nfs/dbraw/zinc/73/93/33/647739333.db2.gz XMMYSSKECIMJGN-NVXWUHKLSA-N 0 3 301.434 2.422 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc(F)c2F)[C@H]1C ZINC000993886702 647758140 /nfs/dbraw/zinc/75/81/40/647758140.db2.gz NSPQJYHWIXPSST-CJNGLKHVSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H]1C ZINC000994115404 647793802 /nfs/dbraw/zinc/79/38/02/647793802.db2.gz RPMFNBJFSHFIFK-WCQYABFASA-N 0 3 312.364 2.437 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn3c2CCCC3)[C@H]1C ZINC000994153187 647795747 /nfs/dbraw/zinc/79/57/47/647795747.db2.gz ZDFBADBURKRXOW-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000153904041 647848416 /nfs/dbraw/zinc/84/84/16/647848416.db2.gz YEAJKFZUOAWAEP-QGZVFWFLSA-N 0 3 314.433 2.137 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H]1C ZINC000994376215 647925527 /nfs/dbraw/zinc/92/55/27/647925527.db2.gz NAQYOAQPSJIXGK-GXTWGEPZSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H]1C ZINC000994376227 647925785 /nfs/dbraw/zinc/92/57/85/647925785.db2.gz NAQYOAQPSJIXGK-TZMCWYRMSA-N 0 3 313.405 2.117 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1nc(C)cc1C ZINC000916877644 647936788 /nfs/dbraw/zinc/93/67/88/647936788.db2.gz 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/nfs/dbraw/zinc/06/76/36/648067636.db2.gz TXHWEQAMYYAGFO-CRAIPNDOSA-N 0 3 313.445 2.430 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000155059236 648175808 /nfs/dbraw/zinc/17/58/08/648175808.db2.gz VZQFOFGUCGLPHL-CLXYIWAZSA-N 0 3 303.406 2.278 20 30 DEEDHN Cc1noc(C)c1[C@@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000155070615 648178104 /nfs/dbraw/zinc/17/81/04/648178104.db2.gz HDVQGVCSILFNGK-GXFFZTMASA-N 0 3 303.362 2.116 20 30 DEEDHN CCO[C@H](CC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000920110999 648205241 /nfs/dbraw/zinc/20/52/41/648205241.db2.gz XFQNEFUOJIYICE-WCQYABFASA-N 0 3 304.346 2.158 20 30 DEEDHN CN(Cc1ccc(OCC(N)=O)cc1)Cc1cccc(C#N)c1 ZINC000920488893 648230041 /nfs/dbraw/zinc/23/00/41/648230041.db2.gz BZWMOTQDPVKKOV-UHFFFAOYSA-N 0 3 309.369 2.054 20 30 DEEDHN N#CCCC[C@@H](N)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000822785153 648286738 /nfs/dbraw/zinc/28/67/38/648286738.db2.gz LTYXUELFOMJSFZ-GFCCVEGCSA-N 0 3 323.360 2.139 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2C2CC2)C[C@H]1C ZINC000948082404 648345802 /nfs/dbraw/zinc/34/58/02/648345802.db2.gz CEDIYGZYKGRDLO-OCCSQVGLSA-N 0 3 302.422 2.066 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](NCc3cnc(C)nc3)C2)C1 ZINC000939103186 648563356 /nfs/dbraw/zinc/56/33/56/648563356.db2.gz NXNWFMQTZIMGEP-XJKSGUPXSA-N 0 3 314.433 2.078 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000824365472 648573448 /nfs/dbraw/zinc/57/34/48/648573448.db2.gz BESLTNVYOMEWGI-HOTGVXAUSA-N 0 3 313.401 2.314 20 30 DEEDHN COCCN(CCC(=O)OC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824814898 648656364 /nfs/dbraw/zinc/65/63/64/648656364.db2.gz WKPQVJUQIXEVRN-UHFFFAOYSA-N 0 3 316.401 2.253 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2cccnc2Cl)CC1 ZINC000826662462 648900930 /nfs/dbraw/zinc/90/09/30/648900930.db2.gz KEGBQKLIIWLCKJ-UHFFFAOYSA-N 0 3 307.825 2.434 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(OC)ns2)C(C)(C)C1 ZINC000940752748 648939321 /nfs/dbraw/zinc/93/93/21/648939321.db2.gz FFTODQMNFIXXKL-LBPRGKRZSA-N 0 3 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C#CCN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000942367552 649211282 /nfs/dbraw/zinc/21/12/82/649211282.db2.gz NMVLHBOLTOOKEL-GOEBONIOSA-N 0 3 322.412 2.150 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@@H](C)C1 ZINC000942487121 649228012 /nfs/dbraw/zinc/22/80/12/649228012.db2.gz RHZFNCRAFDQNMF-DZGCQCFKSA-N 0 3 312.417 2.269 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2sc(C)nc2C)[C@H](C)C1 ZINC000942524823 649236775 /nfs/dbraw/zinc/23/67/75/649236775.db2.gz DMNQNRCQDKIJHA-IUODEOHRSA-N 0 3 319.474 2.152 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2occ3c2CCC3)[C@@H](C)C1 ZINC000942532108 649237619 /nfs/dbraw/zinc/23/76/19/649237619.db2.gz FXMHXFVWJWNPFW-BBRMVZONSA-N 0 3 300.402 2.232 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)[C@@H](C)C1 ZINC000942544846 649242106 /nfs/dbraw/zinc/24/21/06/649242106.db2.gz GFZZKVIWFOSSDN-AAEUAGOBSA-N 0 3 301.415 2.303 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(Cl)cs2)[C@@H](C)C1 ZINC000942579957 649250420 /nfs/dbraw/zinc/25/04/20/649250420.db2.gz 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C=CCN1CC[C@H](NC(=O)c2csc3cncn32)[C@@H](C)C1 ZINC000943289285 649359111 /nfs/dbraw/zinc/35/91/11/649359111.db2.gz PMNIBKBAJJIREJ-RYUDHWBXSA-N 0 3 304.419 2.022 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H](C)C1 ZINC000943301254 649362033 /nfs/dbraw/zinc/36/20/33/649362033.db2.gz AGNXIJLJPNECII-QAPCUYQASA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCN(CC#CC)C[C@H]2C)cc1 ZINC000943464480 649379288 /nfs/dbraw/zinc/37/92/88/649379288.db2.gz HKMNBFMJOPCIMW-APWZRJJASA-N 0 3 324.424 2.162 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000943465464 649379544 /nfs/dbraw/zinc/37/95/44/649379544.db2.gz MKIZTUSPFUVOFW-YPMHNXCESA-N 0 3 310.850 2.404 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H](C)C1 ZINC000943517556 649387366 /nfs/dbraw/zinc/38/73/66/649387366.db2.gz PNPXDZQPSSNACV-XJKSGUPXSA-N 0 3 312.417 2.498 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@H](C)C1 ZINC000943648065 649408415 /nfs/dbraw/zinc/40/84/15/649408415.db2.gz 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/nfs/dbraw/zinc/47/10/23/649471023.db2.gz OGERCLGDFIQHKQ-TZMCWYRMSA-N 0 3 303.406 2.009 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C(C)(C)C)[C@H](C)C1 ZINC000944044878 649474781 /nfs/dbraw/zinc/47/47/81/649474781.db2.gz AYCKXXHOQDCJBF-ZIAGYGMSSA-N 0 3 317.433 2.436 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C[C@@H]1C ZINC000947912351 649491083 /nfs/dbraw/zinc/49/10/83/649491083.db2.gz JTPKEUUJXYCNNC-ZFWWWQNUSA-N 0 3 316.449 2.448 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C[C@@H]1C ZINC000947912351 649491085 /nfs/dbraw/zinc/49/10/85/649491085.db2.gz JTPKEUUJXYCNNC-ZFWWWQNUSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@H](C)C1 ZINC000944619661 649535380 /nfs/dbraw/zinc/53/53/80/649535380.db2.gz OFLBOLDCIABGAV-OCCSQVGLSA-N 0 3 313.426 2.370 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCCC3)[C@@H](C)C1 ZINC000944945596 649589863 /nfs/dbraw/zinc/58/98/63/649589863.db2.gz SJAGQAFZUPCEJW-ZFWWWQNUSA-N 0 3 316.449 2.305 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)[C@H](C)C1 ZINC000944945595 649590060 /nfs/dbraw/zinc/59/00/60/649590060.db2.gz SJAGQAFZUPCEJW-UKRRQHHQSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(Cl)cn2CC)[C@H](C)C1 ZINC000944993113 649596818 /nfs/dbraw/zinc/59/68/18/649596818.db2.gz CWHNIOCMFGAUDV-OCCSQVGLSA-N 0 3 307.825 2.235 20 30 DEEDHN COC/C(C)=C\C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000844385903 651121601 /nfs/dbraw/zinc/12/16/01/651121601.db2.gz HLSSCBWLMMRVFX-GDNBJRDFSA-N 0 3 315.417 2.041 20 30 DEEDHN C=C(C)CONC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000845597184 651258642 /nfs/dbraw/zinc/25/86/42/651258642.db2.gz MNVXXAULAZJCTE-MRXNPFEDSA-N 0 3 303.406 2.458 20 30 DEEDHN CCC(C#N)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000845915880 651294698 /nfs/dbraw/zinc/29/46/98/651294698.db2.gz UIRZRLDPZWMVLZ-SNVBAGLBSA-N 0 3 324.764 2.097 20 30 DEEDHN C=C[C@H](C)ONC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000846546024 651337335 /nfs/dbraw/zinc/33/73/35/651337335.db2.gz RPZQCEFGCLDYJS-INIZCTEOSA-N 0 3 317.433 2.211 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000847342279 651390549 /nfs/dbraw/zinc/39/05/49/651390549.db2.gz IYBSZMKFWTULFN-NXHRZFHOSA-N 0 3 311.429 2.487 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000847377714 651392535 /nfs/dbraw/zinc/39/25/35/651392535.db2.gz FZRIMLKBGPSUMU-UHFFFAOYSA-N 0 3 324.428 2.192 20 30 DEEDHN N#CCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000847689699 651410753 /nfs/dbraw/zinc/41/07/53/651410753.db2.gz CLSKIYBQXCVRBE-LBPRGKRZSA-N 0 3 319.311 2.374 20 30 DEEDHN Cc1ccc(OC[C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000848397894 651456194 /nfs/dbraw/zinc/45/61/94/651456194.db2.gz OHZQVIBUUUWCDW-GOEBONIOSA-N 0 3 303.406 2.290 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849578190 651685686 /nfs/dbraw/zinc/68/56/86/651685686.db2.gz USFDHFHDSVZFIX-XIRDDKMYSA-N 0 3 318.465 2.316 20 30 DEEDHN C=CCCCCCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849608084 651689984 /nfs/dbraw/zinc/68/99/84/651689984.db2.gz 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/nfs/dbraw/zinc/98/26/19/651982619.db2.gz OQMVPDPSBAWGLZ-JTQLQIEISA-N 0 3 322.311 2.161 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](OC)C2)c1 ZINC000850757846 651982702 /nfs/dbraw/zinc/98/27/02/651982702.db2.gz RUMBIWOZRWFBOP-KCPJHIHWSA-N 0 3 316.357 2.158 20 30 DEEDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(CCOCCC#N)C2 ZINC000856813481 651990673 /nfs/dbraw/zinc/99/06/73/651990673.db2.gz HEJPWIWXAIOERM-WMLDXEAASA-N 0 3 323.437 2.296 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000857379574 652115747 /nfs/dbraw/zinc/11/57/47/652115747.db2.gz SKRKGUVDLIIXIL-LBPRGKRZSA-N 0 3 303.233 2.032 20 30 DEEDHN C=CCOCCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000851644399 652197132 /nfs/dbraw/zinc/19/71/32/652197132.db2.gz PWMVLAMQBOBPEB-CYBMUJFWSA-N 0 3 311.813 2.142 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccc(SC)c2)CC1 ZINC000851739642 652222930 /nfs/dbraw/zinc/22/29/30/652222930.db2.gz DHRFJBLJSWJKOJ-UHFFFAOYSA-N 0 3 302.443 2.370 20 30 DEEDHN N#Cc1cccc(OC2CCN(C[C@@H]3CCC(=O)O3)CC2)c1 ZINC000851753460 652227510 /nfs/dbraw/zinc/22/75/10/652227510.db2.gz WFTDMVRFWMBTIH-INIZCTEOSA-N 0 3 300.358 2.107 20 30 DEEDHN C#CCOCCN1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000851798921 652242558 /nfs/dbraw/zinc/24/25/58/652242558.db2.gz USGLLLKRJLLWKN-LSDHHAIUSA-N 0 3 310.438 2.261 20 30 DEEDHN C#CCOCCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000852054996 652326357 /nfs/dbraw/zinc/32/63/57/652326357.db2.gz MCYXIRQADPXZIM-INIZCTEOSA-N 0 3 308.422 2.160 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCCCN(C)c1ccccc1 ZINC000852097894 652338132 /nfs/dbraw/zinc/33/81/32/652338132.db2.gz ZWMPXTOAMFDKLR-SFHVURJKSA-N 0 3 301.434 2.021 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC3=C(CCC(=O)N3)C2)c1 ZINC000852299475 652379973 /nfs/dbraw/zinc/37/99/73/652379973.db2.gz SHUXJPOBVSDZJU-UHFFFAOYSA-N 0 3 311.385 2.197 20 30 DEEDHN CC(C)(C)OC(=O)NCCOCCN1CCC[C@H](CC#N)C1 ZINC000852319400 652384842 /nfs/dbraw/zinc/38/48/42/652384842.db2.gz LVOGNIGXVAOFPQ-CQSZACIVSA-N 0 3 311.426 2.153 20 30 DEEDHN OC1(CCON=Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000853642373 652583178 /nfs/dbraw/zinc/58/31/78/652583178.db2.gz GCIBDRBECPGNHT-UHFFFAOYSA-N 0 3 304.390 2.179 20 30 DEEDHN C#Cc1cccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000854262471 652667747 /nfs/dbraw/zinc/66/77/47/652667747.db2.gz DPRUGVJMRRBKTH-KRWDZBQOSA-N 0 3 313.401 2.043 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)CC#N)cc2)CC1 ZINC000854267291 652668987 /nfs/dbraw/zinc/66/89/87/652668987.db2.gz HBHSIZNLDNFOAK-AWEZNQCLSA-N 0 3 300.406 2.317 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(C)nc1OC ZINC001390708164 1155844855 /nfs/dbraw/zinc/84/48/55/1155844855.db2.gz YLYRKSKVMXSUFH-LLVKDONJSA-N 0 3 311.813 2.249 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)CCc1ccc(Cl)cc1 ZINC001374469941 1157867057 /nfs/dbraw/zinc/86/70/57/1157867057.db2.gz CJLYEDSFWJETRG-CYBMUJFWSA-N 0 3 307.825 2.432 20 30 DEEDHN CCCCCCCCCCNC(=O)C(=O)N1CCCNCC1 ZINC000387938394 685426106 /nfs/dbraw/zinc/42/61/06/685426106.db2.gz SQDLCXNYNVMBPK-UHFFFAOYSA-N 0 3 311.470 2.065 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)CSCc2ccc(C#N)cc2)CCN1C ZINC000928460117 693786731 /nfs/dbraw/zinc/78/67/31/693786731.db2.gz ZCSMUSIRRLHSFM-IUODEOHRSA-N 0 3 303.431 2.000 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)COCC1CC1 ZINC000113140485 684061706 /nfs/dbraw/zinc/06/17/06/684061706.db2.gz LTZKJQCYFOJHNG-CYBMUJFWSA-N 0 3 316.357 2.159 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(F)cc(F)c1 ZINC000126417546 684154094 /nfs/dbraw/zinc/15/40/94/684154094.db2.gz NHJMGXDXRAJZHB-GFCCVEGCSA-N 0 3 301.252 2.321 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCOC(C)C ZINC000129986775 684183879 /nfs/dbraw/zinc/18/38/79/684183879.db2.gz GJKVYGVZRWVVEU-LBPRGKRZSA-N 0 3 304.346 2.158 20 30 DEEDHN Cc1cccc(CSCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000130848476 684193176 /nfs/dbraw/zinc/19/31/76/684193176.db2.gz ZPZONZBNBSAUDQ-CQSZACIVSA-N 0 3 304.415 2.462 20 30 DEEDHN C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001054088878 693838320 /nfs/dbraw/zinc/83/83/20/693838320.db2.gz CLUUEKRIDBDBND-IBGZPJMESA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001054088878 693838322 /nfs/dbraw/zinc/83/83/22/693838322.db2.gz CLUUEKRIDBDBND-IBGZPJMESA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cnc(C)s1)C2 ZINC001054099727 693844209 /nfs/dbraw/zinc/84/42/09/693844209.db2.gz NNMSBDLPCJSCJD-INIZCTEOSA-N 0 3 303.431 2.013 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cncc(F)c1)C2 ZINC001054113686 693850370 /nfs/dbraw/zinc/85/03/70/693850370.db2.gz NORKXDMJEMFWCH-GOSISDBHSA-N 0 3 315.392 2.172 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(F)cn1)C2 ZINC001054120750 693852964 /nfs/dbraw/zinc/85/29/64/693852964.db2.gz NYJCWEJSDDBLOE-GOSISDBHSA-N 0 3 315.392 2.172 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1OCC[C@H]1CC)C2 ZINC001054147284 693862136 /nfs/dbraw/zinc/86/21/36/693862136.db2.gz NISDLXOSYGNEMJ-ZIFCJYIRSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001054202249 693880760 /nfs/dbraw/zinc/88/07/60/693880760.db2.gz AHBNVLOFQFPLJY-NLWGTHIKSA-N 0 3 323.440 2.133 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccn(C(C)C)n1)C2 ZINC001054208041 693882897 /nfs/dbraw/zinc/88/28/97/693882897.db2.gz JRNOWNDRYBDLTN-SFHVURJKSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cnoc1C1CC1)C2 ZINC001054222849 693888722 /nfs/dbraw/zinc/88/87/22/693888722.db2.gz JWLJATNHZRSPBX-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc3c([nH]1)CCC3)C2 ZINC001054226694 693889712 /nfs/dbraw/zinc/88/97/12/693889712.db2.gz WRJHKWNIGSDDTJ-IBGZPJMESA-N 0 3 311.429 2.065 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ncoc1C(C)C)C2 ZINC001054225516 693889725 /nfs/dbraw/zinc/88/97/25/693889725.db2.gz YRIDVNNVJUVLHB-SFHVURJKSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C1CC1)C1CC1)C2 ZINC001054225420 693890083 /nfs/dbraw/zinc/89/00/83/693890083.db2.gz WWAPMZYQACNKFI-LJQANCHMSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(C)CC(F)(F)C1)C2 ZINC001054225831 693890139 /nfs/dbraw/zinc/89/01/39/693890139.db2.gz FTJKCPSRIKPXOL-INIZCTEOSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)no1)C2 ZINC001054230653 693892213 /nfs/dbraw/zinc/89/22/13/693892213.db2.gz ZCYXKQIYMXJROI-MRXNPFEDSA-N 0 3 321.808 2.279 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cccc1)C2 ZINC001054230076 693892838 /nfs/dbraw/zinc/89/28/38/693892838.db2.gz LSUHOOJBLXNMQK-HKUYNNGSSA-N 0 3 313.445 2.387 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2C1 ZINC001054255602 693902596 /nfs/dbraw/zinc/90/25/96/693902596.db2.gz VGDZXVOGCCMGIQ-KRWDZBQOSA-N 0 3 300.402 2.374 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cn[nH]c(=O)c3)cc2C1 ZINC001054269741 693909127 /nfs/dbraw/zinc/90/91/27/693909127.db2.gz ONSIISYTMBACAX-UHFFFAOYSA-N 0 3 324.384 2.004 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)OC ZINC000195492242 685100497 /nfs/dbraw/zinc/10/04/97/685100497.db2.gz AXUSOCVSKWYMBX-NEPJUHHUSA-N 0 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/nfs/dbraw/zinc/92/31/48/686923148.db2.gz MJIQYBJEULNFPG-UHFFFAOYSA-N 0 3 315.348 2.494 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001015933934 687471011 /nfs/dbraw/zinc/47/10/11/687471011.db2.gz JNWKNZSFHPGNFE-AWEZNQCLSA-N 0 3 300.377 2.071 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001016081330 687518865 /nfs/dbraw/zinc/51/88/65/687518865.db2.gz OZFQSPZADZWNRX-YMVOSSCXSA-N 0 3 300.446 2.417 20 30 DEEDHN C#C[C@H](N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000866340645 687540259 /nfs/dbraw/zinc/54/02/59/687540259.db2.gz GXHBDJZTRNWDRV-WPGHFRTFSA-N 0 3 306.337 2.435 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000930251555 694119732 /nfs/dbraw/zinc/11/97/32/694119732.db2.gz KXXIUQLDALHZKV-SOUVJXGZSA-N 0 3 300.402 2.494 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000930288293 694128511 /nfs/dbraw/zinc/12/85/11/694128511.db2.gz UHXIASRDGMOEFH-BMIGLBTASA-N 0 3 302.353 2.302 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(F)c2C)CC1 ZINC001016633036 687669539 /nfs/dbraw/zinc/66/95/39/687669539.db2.gz WKUAXNUCVANQFP-MRXNPFEDSA-N 0 3 300.377 2.352 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2conc2C(C)C)CC1 ZINC001016656353 687675657 /nfs/dbraw/zinc/67/56/57/687675657.db2.gz CIAQVVVSYCAIOZ-OAHLLOKOSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cnc(C3CC3)o2)CC1 ZINC001016664952 687678342 /nfs/dbraw/zinc/67/83/42/687678342.db2.gz SVSXFOPKVARJTJ-HNNXBMFYSA-N 0 3 313.401 2.160 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001016796956 687705320 /nfs/dbraw/zinc/70/53/20/687705320.db2.gz UWUWSPPAHNTACR-KRWDZBQOSA-N 0 3 322.412 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001016803546 687706260 /nfs/dbraw/zinc/70/62/60/687706260.db2.gz QYJAGLLDNVXQPR-QZTJIDSGSA-N 0 3 308.425 2.320 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C(C)C)no2)CC1 ZINC001016859928 687720480 /nfs/dbraw/zinc/72/04/80/687720480.db2.gz 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/nfs/dbraw/zinc/74/26/53/687742653.db2.gz BUNCYIFZMVTTKA-SFHVURJKSA-N 0 3 310.441 2.450 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)n2c(C)ccc2C)CC1 ZINC001016981524 687748916 /nfs/dbraw/zinc/74/89/16/687748916.db2.gz DCZVLSSINQSXCE-IRXDYDNUSA-N 0 3 313.445 2.270 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2COc3ccccc32)CC1 ZINC001017000149 687753850 /nfs/dbraw/zinc/75/38/50/687753850.db2.gz RLVSPNQBLQFHNN-FUHWJXTLSA-N 0 3 324.424 2.157 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)C[C@H]1NCc3ccccc31)C2 ZINC000868038436 687886867 /nfs/dbraw/zinc/88/68/67/687886867.db2.gz SKQSCJYQIRSXTK-IEBWSBKVSA-N 0 3 317.392 2.376 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@](C)(O)C1CC1 ZINC001017488961 687901269 /nfs/dbraw/zinc/90/12/69/687901269.db2.gz NUKWIMHANFWWFK-JZXOWHBKSA-N 0 3 306.450 2.179 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C(C)C ZINC001017606196 687922622 /nfs/dbraw/zinc/92/26/22/687922622.db2.gz NIMUALHXNVTKKQ-YVSFHVDLSA-N 0 3 306.450 2.299 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cn1 ZINC001017672802 687936894 /nfs/dbraw/zinc/93/68/94/687936894.db2.gz RFFDDRGPLHWYGO-CALCHBBNSA-N 0 3 317.408 2.405 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2cncc2c1 ZINC001017705365 687942887 /nfs/dbraw/zinc/94/28/87/687942887.db2.gz YVBYPWWFMLAKQU-IYBDPMFKSA-N 0 3 310.401 2.199 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1CC ZINC001018226439 688087399 /nfs/dbraw/zinc/08/73/99/688087399.db2.gz WWPQBRZKNXOJEJ-OKILXGFUSA-N 0 3 302.422 2.227 20 30 DEEDHN CS[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018540194 688169132 /nfs/dbraw/zinc/16/91/32/688169132.db2.gz RQQSWKFYZMREDT-FZMZJTMJSA-N 0 3 321.421 2.139 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001018826601 688241057 /nfs/dbraw/zinc/24/10/57/688241057.db2.gz HZKHZKZINFLXPZ-INIZCTEOSA-N 0 3 304.340 2.069 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2OC)C1 ZINC001019663403 688386367 /nfs/dbraw/zinc/38/63/67/688386367.db2.gz 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/nfs/dbraw/zinc/70/91/41/688709141.db2.gz KAAJMPGXXXEZMS-MRXNPFEDSA-N 0 3 303.365 2.059 20 30 DEEDHN CCC(C#N)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000871146883 688734931 /nfs/dbraw/zinc/73/49/31/688734931.db2.gz DZWHLUYKBSOXFU-BLLLJJGKSA-N 0 3 322.792 2.480 20 30 DEEDHN Cc1ccccc1CN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603463 688960791 /nfs/dbraw/zinc/96/07/91/688960791.db2.gz QPKIXOJZNPYCMV-UHFFFAOYSA-N 0 3 308.385 2.057 20 30 DEEDHN C=CCOc1ccc(C(=O)NCC2CN(CCCF)C2)cc1 ZINC001031778619 688995334 /nfs/dbraw/zinc/99/53/34/688995334.db2.gz RNLFQTNBEJCLIM-UHFFFAOYSA-N 0 3 306.381 2.273 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2occc2Br)C1 ZINC001032056584 689050729 /nfs/dbraw/zinc/05/07/29/689050729.db2.gz NWQOCTLMZZQTKB-UHFFFAOYSA-N 0 3 313.195 2.280 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001032224844 689086663 /nfs/dbraw/zinc/08/66/63/689086663.db2.gz QHYXDQPIWPLFQN-UHFFFAOYSA-N 0 3 313.445 2.216 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 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DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001033072512 689377191 /nfs/dbraw/zinc/37/71/91/689377191.db2.gz LDVCPDFCNVCCME-HNNXBMFYSA-N 0 3 316.449 2.116 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnn2CC2CCC2)C1 ZINC001033088312 689382269 /nfs/dbraw/zinc/38/22/69/689382269.db2.gz UTHVQLKVGZZFCW-INIZCTEOSA-N 0 3 316.449 2.406 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncnc3ccsc32)C1 ZINC001033137422 689401840 /nfs/dbraw/zinc/40/18/40/689401840.db2.gz TVHUWPJDGWCZQK-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(N(C)C)cc2F)C1 ZINC001033148400 689404563 /nfs/dbraw/zinc/40/45/63/689404563.db2.gz BWMDMPSYNOCREC-HNNXBMFYSA-N 0 3 317.408 2.061 20 30 DEEDHN N#CC[C@@H](O)CN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000930966219 694284386 /nfs/dbraw/zinc/28/43/86/694284386.db2.gz SYRIAHFGOKPZTG-CVEARBPZSA-N 0 3 308.809 2.296 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3ncn(C)c32)C1 ZINC001033201438 689423599 /nfs/dbraw/zinc/42/35/99/689423599.db2.gz 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C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001033696560 689587399 /nfs/dbraw/zinc/58/73/99/689587399.db2.gz VTFTZPWMRDQBGP-HZPDHXFCSA-N 0 3 304.438 2.170 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2COc3ccccc32)C1 ZINC001033709833 689590679 /nfs/dbraw/zinc/59/06/79/689590679.db2.gz KJRPTYSCOUXUTG-GDBMZVCRSA-N 0 3 300.402 2.271 20 30 DEEDHN CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033799813 689621125 /nfs/dbraw/zinc/62/11/25/689621125.db2.gz XPQYCHKMWLPEDT-HNNXBMFYSA-N 0 3 300.406 2.389 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001033837048 689631921 /nfs/dbraw/zinc/63/19/21/689631921.db2.gz QVJLBJQCJGMEBK-CVEARBPZSA-N 0 3 316.449 2.329 20 30 DEEDHN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc3cncn3c2C)C1 ZINC001033876677 689647169 /nfs/dbraw/zinc/64/71/69/689647169.db2.gz ACNBURLRABEGGK-QGZVFWFLSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn3ccnc3c2)C1 ZINC001033895735 689654164 /nfs/dbraw/zinc/65/41/64/689654164.db2.gz CGUNYHSEHAFTTH-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001033900963 689656288 /nfs/dbraw/zinc/65/62/88/689656288.db2.gz NXNYZKWPLKNNAC-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001033910032 689659091 /nfs/dbraw/zinc/65/90/91/689659091.db2.gz CXCVVEOFHSKGOL-OAHLLOKOSA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc3nccn3c2)C1 ZINC001034014879 689693920 /nfs/dbraw/zinc/69/39/20/689693920.db2.gz FKWMQLFMDYZQPQ-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001034206802 689762742 /nfs/dbraw/zinc/76/27/42/689762742.db2.gz LTSNCHDDCLIVMH-AWEZNQCLSA-N 0 3 304.438 2.379 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(SC)cc1OC ZINC000931098433 694315154 /nfs/dbraw/zinc/31/51/54/694315154.db2.gz XHQJPGODZUHMCV-UHFFFAOYSA-N 0 3 321.446 2.494 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001034325083 689809462 /nfs/dbraw/zinc/80/94/62/689809462.db2.gz XMFHNALINKLHIA-CYBMUJFWSA-N 0 3 313.405 2.037 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001034364853 689824221 /nfs/dbraw/zinc/82/42/21/689824221.db2.gz MZMSMVGXOMZMMR-INIZCTEOSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001034415178 689841794 /nfs/dbraw/zinc/84/17/94/689841794.db2.gz UHYYGXWRPNVDEF-YESZJQIVSA-N 0 3 316.449 2.070 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000876557013 689855135 /nfs/dbraw/zinc/85/51/35/689855135.db2.gz DUHKSUCQQOZSDO-CYBMUJFWSA-N 0 3 323.824 2.116 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(CC)nn2C)C1 ZINC001034459664 689858329 /nfs/dbraw/zinc/85/83/29/689858329.db2.gz ZSKXUGLMKUOVLV-HNNXBMFYSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000876601117 689872172 /nfs/dbraw/zinc/87/21/72/689872172.db2.gz LNEYMNGZOZGJIT-ZJUUUORDSA-N 0 3 314.735 2.026 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000876609021 689874814 /nfs/dbraw/zinc/87/48/14/689874814.db2.gz OQCBMVHZXWEKSE-STQMWFEESA-N 0 3 324.808 2.495 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000876609019 689875061 /nfs/dbraw/zinc/87/50/61/689875061.db2.gz OQCBMVHZXWEKSE-QWHCGFSZSA-N 0 3 324.808 2.495 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001034509560 689878603 /nfs/dbraw/zinc/87/86/03/689878603.db2.gz YNFFZJVKSZVSEA-MSOLQXFVSA-N 0 3 314.429 2.285 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1ccc(F)cc1 ZINC000876627731 689880888 /nfs/dbraw/zinc/88/08/88/689880888.db2.gz JSKHRNJNURUBKO-CYBMUJFWSA-N 0 3 300.761 2.181 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000876628684 689881692 /nfs/dbraw/zinc/88/16/92/689881692.db2.gz RYCNPVYXDYTTGT-QWRGUYRKSA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000876646838 689887364 /nfs/dbraw/zinc/88/73/64/689887364.db2.gz 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/nfs/dbraw/zinc/03/04/77/690030477.db2.gz YANOFLPPXDDKCU-GFCCVEGCSA-N 0 3 313.854 2.394 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1noc2c1CC(C)(C)CC2 ZINC000877346635 690084194 /nfs/dbraw/zinc/08/41/94/690084194.db2.gz FOXIXACTYRVPKX-NSHDSACASA-N 0 3 311.813 2.276 20 30 DEEDHN C#CCCCCCCN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000877484923 690127493 /nfs/dbraw/zinc/12/74/93/690127493.db2.gz HWHNZHRQAFPBRU-INIZCTEOSA-N 0 3 312.479 2.070 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccccc1F)CC2 ZINC001035639689 690139260 /nfs/dbraw/zinc/13/92/60/690139260.db2.gz MDUKWBHKXQBNMP-UHFFFAOYSA-N 0 3 300.377 2.387 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(F)nc1)CC2 ZINC001035670480 690148053 /nfs/dbraw/zinc/14/80/53/690148053.db2.gz LDDLXENDACXPIT-UHFFFAOYSA-N 0 3 303.381 2.335 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC2(CN(CCOC)C2)CC1 ZINC001035712070 690158162 /nfs/dbraw/zinc/15/81/62/690158162.db2.gz FIQKWAUVGCHKCN-UHFFFAOYSA-N 0 3 314.857 2.336 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCc3cccnc31)CC2 ZINC001035778481 690174093 /nfs/dbraw/zinc/17/40/93/690174093.db2.gz KKQUQDKKGUTGAN-QGZVFWFLSA-N 0 3 323.440 2.059 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)Cc1cccc(C)c1)CC2 ZINC001035783573 690175403 /nfs/dbraw/zinc/17/54/03/690175403.db2.gz MWVAHGAJRMNWEJ-UHFFFAOYSA-N 0 3 310.441 2.485 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cn1cc(Cl)cn1)CC2 ZINC001035803667 690180263 /nfs/dbraw/zinc/18/02/63/690180263.db2.gz BHOPFKJUPFOSSS-UHFFFAOYSA-N 0 3 322.840 2.037 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H](CC)C1)CC2 ZINC001035832492 690187939 /nfs/dbraw/zinc/18/79/39/690187939.db2.gz KCBSLFBVTAQJSE-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(Cl)no1)CC2 ZINC001035842363 690190518 /nfs/dbraw/zinc/19/05/18/690190518.db2.gz IDJMDCXYYLORRG-UHFFFAOYSA-N 0 3 309.797 2.442 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](OC)C1CCCC1)CC2 ZINC001035843751 690191129 /nfs/dbraw/zinc/19/11/29/690191129.db2.gz XLKISABMXLJGMQ-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC13CCOCC3)CC2 ZINC001035862841 690196726 /nfs/dbraw/zinc/19/67/26/690196726.db2.gz QHEJTGCWVVFGDJ-MRXNPFEDSA-N 0 3 318.461 2.304 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000877746997 690213794 /nfs/dbraw/zinc/21/37/94/690213794.db2.gz QVYAUTZNHFQPQO-AWEZNQCLSA-N 0 3 303.381 2.246 20 30 DEEDHN C[C@H]1CN(C(=O)c2cocn2)CC[C@@H]1NCc1ccccc1C#N ZINC001035962188 690225988 /nfs/dbraw/zinc/22/59/88/690225988.db2.gz LAVILNQGBMUNEE-BBRMVZONSA-N 0 3 324.384 2.187 20 30 DEEDHN C=CC[C@H](C)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000877964669 690272089 /nfs/dbraw/zinc/27/20/89/690272089.db2.gz JZVSSMDPRDLRAU-AWEZNQCLSA-N 0 3 303.406 2.345 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000878241342 690355996 /nfs/dbraw/zinc/35/59/96/690355996.db2.gz FOGDJEXNIADKRB-ULQDDVLXSA-N 0 3 307.482 2.264 20 30 DEEDHN C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNCc1ccccn1 ZINC001036549950 690382691 /nfs/dbraw/zinc/38/26/91/690382691.db2.gz MXGLVTZWRKPGFW-YJBOKZPZSA-N 0 3 311.429 2.212 20 30 DEEDHN CC(=O)[C@](C#N)(CCN(C)C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000879055639 690559253 /nfs/dbraw/zinc/55/92/53/690559253.db2.gz DSTIDQPXMHXUSY-BPQIPLTHSA-N 0 3 300.402 2.130 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCC[C@@H]1NC(=O)c1cnco1 ZINC001037051447 690561150 /nfs/dbraw/zinc/56/11/50/690561150.db2.gz JEQNSMSJTBILJV-CVEARBPZSA-N 0 3 324.384 2.235 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H]2CNCc2cnns2)C1 ZINC001037075538 690566174 /nfs/dbraw/zinc/56/61/74/690566174.db2.gz QZCVWVOIRINJOF-TZMCWYRMSA-N 0 3 320.462 2.269 20 30 DEEDHN C[C@](C#N)(NC(=O)CN[C@@H]1CC=CC[C@H]1C(F)(F)F)C1CC1 ZINC000879666343 690702307 /nfs/dbraw/zinc/70/23/07/690702307.db2.gz BJNGCQQEORUTML-YRGRVCCFSA-N 0 3 315.339 2.282 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc2cc(C)ccn12 ZINC001038299217 690773174 /nfs/dbraw/zinc/77/31/74/690773174.db2.gz FVSDPJGEJFFEFL-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN Cc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)c(C#N)cc1N(C)C ZINC000931443782 694397438 /nfs/dbraw/zinc/39/74/38/694397438.db2.gz DEIUQWVHPGOHTO-TZMCWYRMSA-N 0 3 315.421 2.147 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001038347886 690790065 /nfs/dbraw/zinc/79/00/65/690790065.db2.gz HUYLCNHXVZGWPM-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038370779 690798618 /nfs/dbraw/zinc/79/86/18/690798618.db2.gz BSQMFEVAPPZTQL-CYBMUJFWSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCOCCN1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000880273131 690856163 /nfs/dbraw/zinc/85/61/63/690856163.db2.gz HOYZPQJEGMHTCM-UHFFFAOYSA-N 0 3 324.446 2.387 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001038567874 690861349 /nfs/dbraw/zinc/86/13/49/690861349.db2.gz IKXIOQMTENJCOI-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001038575431 690864700 /nfs/dbraw/zinc/86/47/00/690864700.db2.gz ONKQXUDZFUAAMM-HNNXBMFYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001038711236 690903056 /nfs/dbraw/zinc/90/30/56/690903056.db2.gz UVCPNIRQBXJGFO-CQSZACIVSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038752275 690914579 /nfs/dbraw/zinc/91/45/79/690914579.db2.gz OJEYUUROSVZXDS-ZDUSSCGKSA-N 0 3 314.389 2.039 20 30 DEEDHN CC(C)C[C@@H](C(N)=O)N(C)CCCOc1cccc(C#N)c1 ZINC000880591159 690936193 /nfs/dbraw/zinc/93/61/93/690936193.db2.gz ZTLSPMFFNLMYSQ-INIZCTEOSA-N 0 3 303.406 2.159 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001038874145 690952642 /nfs/dbraw/zinc/95/26/42/690952642.db2.gz OBDYKLABKVMFHA-KRWDZBQOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001038924989 690968062 /nfs/dbraw/zinc/96/80/62/690968062.db2.gz DCORWOHNKNRMKY-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)nc1 ZINC001038930305 690969144 /nfs/dbraw/zinc/96/91/44/690969144.db2.gz GXIAQAZXFLAAFE-MRXNPFEDSA-N 0 3 311.429 2.303 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001038973890 690981367 /nfs/dbraw/zinc/98/13/67/690981367.db2.gz AZCYOBWEELTNRD-LSDHHAIUSA-N 0 3 316.449 2.236 20 30 DEEDHN CCN(C(=O)Nc1ccc(OC)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000880882756 690989563 /nfs/dbraw/zinc/98/95/63/690989563.db2.gz INEJVUCEJNNBRW-AWEZNQCLSA-N 0 3 302.378 2.125 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2nccs2)C1 ZINC001039241158 691065563 /nfs/dbraw/zinc/06/55/63/691065563.db2.gz YRCLKEDSJBGYBP-ZIAGYGMSSA-N 0 3 303.431 2.093 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2ccccc2n1 ZINC001039395002 691096977 /nfs/dbraw/zinc/09/69/77/691096977.db2.gz RTJLUXNSYQEQHX-SJORKVTESA-N 0 3 324.428 2.128 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001039401409 691098469 /nfs/dbraw/zinc/09/84/69/691098469.db2.gz ARBXWVOQCOUDQJ-CABCVRRESA-N 0 3 300.406 2.040 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(=O)[nH]c1C ZINC001039473326 691114441 /nfs/dbraw/zinc/11/44/41/691114441.db2.gz HRHXVOFDTWIIPP-CABCVRRESA-N 0 3 315.417 2.269 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC001039593246 691133664 /nfs/dbraw/zinc/13/36/64/691133664.db2.gz KIMNKPIRYHWNTD-TWMKSMIVSA-N 0 3 306.450 2.441 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3c(C)noc3C)C2)C1 ZINC001040062238 691187896 /nfs/dbraw/zinc/18/78/96/691187896.db2.gz BWVRJIDYORMPKE-KRWDZBQOSA-N 0 3 303.406 2.406 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3c(C)[nH]nc3Cl)C2)C1 ZINC001040233076 691217701 /nfs/dbraw/zinc/21/77/01/691217701.db2.gz WGGVJZTWOSUGKZ-MRXNPFEDSA-N 0 3 322.840 2.486 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC001040311975 691228674 /nfs/dbraw/zinc/22/86/74/691228674.db2.gz XHVKRIRQGYKVHH-LNLFQRSKSA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cn(CC)nc3C)C2)C1 ZINC001040425868 691246963 /nfs/dbraw/zinc/24/69/63/691246963.db2.gz TYRHMEBVGWHFBM-SFHVURJKSA-N 0 3 316.449 2.326 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3cccn3CC)C2)C1 ZINC001040533855 691262501 /nfs/dbraw/zinc/26/25/01/691262501.db2.gz GJNYXSWLIJTXLV-LJQANCHMSA-N 0 3 313.445 2.459 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@H]3CCCOC3)C2)C1 ZINC001040534294 691262729 /nfs/dbraw/zinc/26/27/29/691262729.db2.gz IYGKTULEVKHWOU-IEBWSBKVSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)c3cnc(C)s3)C2)CC1 ZINC001040632902 691274594 /nfs/dbraw/zinc/27/45/94/691274594.db2.gz BKOCIVRLYRLLII-UHFFFAOYSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)c3cc(C)sn3)C2)CC1 ZINC001040682836 691278762 /nfs/dbraw/zinc/27/87/62/691278762.db2.gz JDLXDEBTELPYNH-UHFFFAOYSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)[C@H]3CCCO3)C2)CC1 ZINC001040840463 691291913 /nfs/dbraw/zinc/29/19/13/691291913.db2.gz SWEMFAADHLKFAL-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001041142180 691332077 /nfs/dbraw/zinc/33/20/77/691332077.db2.gz UWGRVTOEBNEZKG-KDOFPFPSSA-N 0 3 315.392 2.410 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3conc3C(C)C)C2)C1 ZINC001041351747 691365321 /nfs/dbraw/zinc/36/53/21/691365321.db2.gz DJJNKKSCNJZSSD-GOSISDBHSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3c(C)cc(C)nc3C)C2)C1 ZINC001041495288 691384350 /nfs/dbraw/zinc/38/43/50/691384350.db2.gz IPSIXZCJDINPCX-IBGZPJMESA-N 0 3 311.429 2.178 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CCc3cncs3)C2)C1 ZINC001041674468 691408523 /nfs/dbraw/zinc/40/85/23/691408523.db2.gz KEOHDKMDSRQQEF-KRWDZBQOSA-N 0 3 317.458 2.023 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1 ZINC001041705089 691412463 /nfs/dbraw/zinc/41/24/63/691412463.db2.gz LVONRUMVMPMYGL-MDZRGWNJSA-N 0 3 312.413 2.331 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cnc4ccccc4c3)C2)C1 ZINC001041713287 691414275 /nfs/dbraw/zinc/41/42/75/691414275.db2.gz GLNLEJGFOPWZOI-HXUWFJFHSA-N 0 3 319.408 2.406 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](F)c3ccccc3)C2)C1 ZINC001041713382 691414624 /nfs/dbraw/zinc/41/46/24/691414624.db2.gz IJLWPAZDNDLTIB-WMZOPIPTSA-N 0 3 300.377 2.255 20 30 DEEDHN C=CCN1CC[C@]2(CCN(C(=O)c3cc(C4CC4)no3)C2)C1 ZINC001041717179 691415582 /nfs/dbraw/zinc/41/55/82/691415582.db2.gz MEBOOBXLZRIHBJ-KRWDZBQOSA-N 0 3 301.390 2.276 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc(C)c(CC)o3)C2)C1 ZINC001041785390 691430075 /nfs/dbraw/zinc/43/00/75/691430075.db2.gz GIHWDYAKRBUYPO-SFHVURJKSA-N 0 3 300.402 2.322 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC001041793322 691432081 /nfs/dbraw/zinc/43/20/81/691432081.db2.gz JCKWYPOAQISTBQ-NSHGMRRFSA-N 0 3 308.425 2.348 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3ccccc3OC)C2)C1 ZINC001041800850 691434428 /nfs/dbraw/zinc/43/44/28/691434428.db2.gz ZJAGYQCRXKKEPF-IBGZPJMESA-N 0 3 312.413 2.257 20 30 DEEDHN C#CC[C@H](CO)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000883124615 691434543 /nfs/dbraw/zinc/43/45/43/691434543.db2.gz LOXXQOQVLWVFTC-CQSZACIVSA-N 0 3 323.318 2.365 20 30 DEEDHN CC#CC[C@@H](CO)NCc1c[nH]nc1-c1c(F)cccc1F ZINC000883157046 691443625 /nfs/dbraw/zinc/44/36/25/691443625.db2.gz KRHFYSNJVXNFPW-LBPRGKRZSA-N 0 3 305.328 2.219 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCc3ccoc3)C[C@H]21 ZINC001042003431 691483585 /nfs/dbraw/zinc/48/35/85/691483585.db2.gz PJQWVPIUWDIIPJ-IAGOWNOFSA-N 0 3 300.402 2.158 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001042064975 691496029 /nfs/dbraw/zinc/49/60/29/691496029.db2.gz MMRWQWKERSSXHO-ZIAGYGMSSA-N 0 3 316.449 2.430 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn(C4CCC4)c3)C[C@@H]21 ZINC001042063551 691496135 /nfs/dbraw/zinc/49/61/35/691496135.db2.gz YZMIOACCUKKARJ-YOEHRIQHSA-N 0 3 314.433 2.331 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3[nH]cnc3C(C)(C)C)C[C@H]21 ZINC001042064974 691496486 /nfs/dbraw/zinc/49/64/86/691496486.db2.gz MMRWQWKERSSXHO-UONOGXRCSA-N 0 3 316.449 2.430 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3cc(C)nc(C)c3)C[C@H]21 ZINC001042076493 691500521 /nfs/dbraw/zinc/50/05/21/691500521.db2.gz UULQBBKOXOUBDG-FUHWJXTLSA-N 0 3 311.429 2.258 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccnn3C(C)C)C[C@@H]21 ZINC001042077330 691500713 /nfs/dbraw/zinc/50/07/13/691500713.db2.gz JYDBFZUJQQQIAW-ZBFHGGJFSA-N 0 3 302.422 2.186 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ncn4ccc(C)cc34)C[C@H]21 ZINC001042121488 691513343 /nfs/dbraw/zinc/51/33/43/691513343.db2.gz HUASPSWJBDJMQZ-NVXWUHKLSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21 ZINC001042124656 691514020 /nfs/dbraw/zinc/51/40/20/691514020.db2.gz ABGNZRSBUYKTCL-BBRMVZONSA-N 0 3 314.433 2.011 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C[C@H]21 ZINC001042205823 691536172 /nfs/dbraw/zinc/53/61/72/691536172.db2.gz ZGSFCFFWEALZJZ-HUUCEWRRSA-N 0 3 315.417 2.123 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3cccc(Cl)c3)C[C@H]21 ZINC001042212589 691537592 /nfs/dbraw/zinc/53/75/92/691537592.db2.gz HASGVSMHBSVNGC-NVXWUHKLSA-N 0 3 316.832 2.439 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)Cc3occc3C)C[C@@H]21 ZINC001042227754 691539573 /nfs/dbraw/zinc/53/95/73/691539573.db2.gz MENRDRRBJKXMJK-CVEARBPZSA-N 0 3 300.402 2.077 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C[C@H]21 ZINC001042226929 691539934 /nfs/dbraw/zinc/53/99/34/691539934.db2.gz GLSQDAQZCOFQHG-TZMCWYRMSA-N 0 3 305.809 2.228 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)CCc3ccccc3C)C[C@H]21 ZINC001042248550 691547924 /nfs/dbraw/zinc/54/79/24/691547924.db2.gz XJJRPCXAHLRMIV-RBUKOAKNSA-N 0 3 310.441 2.484 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccc4c(c3)COC4)C[C@H]21 ZINC001042267229 691554255 /nfs/dbraw/zinc/55/42/55/691554255.db2.gz RZGZASVVOASRKM-HNAYVOBHSA-N 0 3 324.424 2.277 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc4nccnc43)C[C@H]21 ZINC001042288301 691558453 /nfs/dbraw/zinc/55/84/53/691558453.db2.gz RSRFEXMUXBBOKN-WMLDXEAASA-N 0 3 322.412 2.352 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3c[nH]cc3C3CC3)C[C@H]21 ZINC001042294971 691560142 /nfs/dbraw/zinc/56/01/42/691560142.db2.gz PCYLGAYCBKEBHT-MAUKXSAKSA-N 0 3 311.429 2.452 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccc(OC)cc3)C[C@H]21 ZINC001042329389 691572518 /nfs/dbraw/zinc/57/25/18/691572518.db2.gz ZHQVZMILGNXLHW-CRAIPNDOSA-N 0 3 312.413 2.255 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)COc3cccc(F)c3)C[C@@H]21 ZINC001042353057 691579953 /nfs/dbraw/zinc/57/99/53/691579953.db2.gz HDCJYQILCABLHO-PBHICJAKSA-N 0 3 318.392 2.313 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cncnc3CC)C[C@@H]21 ZINC001042359926 691581634 /nfs/dbraw/zinc/58/16/34/691581634.db2.gz KXFFYVPYMPCJOR-PBHICJAKSA-N 0 3 314.433 2.152 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccccc1N1CCCC1)C2 ZINC000884007189 691631568 /nfs/dbraw/zinc/63/15/68/691631568.db2.gz SGTRSLIXAOERNJ-XAUUPUKJSA-N 0 3 324.428 2.365 20 30 DEEDHN CC[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC000884058167 691643443 /nfs/dbraw/zinc/64/34/43/691643443.db2.gz CQAVMRQATDWFAP-WAZRQNRBSA-N 0 3 311.429 2.436 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N(C1CC1)C1CCCCC1)C2 ZINC000884081571 691650097 /nfs/dbraw/zinc/65/00/97/691650097.db2.gz CRGOVSURNLLUSP-TXKKKEFDSA-N 0 3 301.434 2.449 20 30 DEEDHN CCn1ncc2ccc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)cc21 ZINC000884105289 691656113 /nfs/dbraw/zinc/65/61/13/691656113.db2.gz KEKTVBOOKAOVHL-TXKKKEFDSA-N 0 3 323.400 2.134 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](N)CC2CC2)cc(OC)c1OC ZINC000884115439 691658187 /nfs/dbraw/zinc/65/81/87/691658187.db2.gz RWUUBFGKNWCZMT-OAHLLOKOSA-N 0 3 318.417 2.176 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000884131753 691661967 /nfs/dbraw/zinc/66/19/67/691661967.db2.gz UQMUOIYEMUHSJE-NVXWUHKLSA-N 0 3 321.465 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000884131754 691662232 /nfs/dbraw/zinc/66/22/32/691662232.db2.gz UQMUOIYEMUHSJE-RDJZCZTQSA-N 0 3 321.465 2.237 20 30 DEEDHN Cc1cccc2c1CCCN2C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884139389 691663988 /nfs/dbraw/zinc/66/39/88/691663988.db2.gz QPAMDXKUDWGQIM-XAUUPUKJSA-N 0 3 309.413 2.414 20 30 DEEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cnc1Cl ZINC000884140185 691664816 /nfs/dbraw/zinc/66/48/16/691664816.db2.gz MOILQVYDZBWKKS-LOIXOFCESA-N 0 3 304.781 2.121 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1C[C@@H]1C1CCCCC1)C2 ZINC000884154541 691668766 /nfs/dbraw/zinc/66/87/66/691668766.db2.gz ILVJJMDXNBLHNM-YLADIXGZSA-N 0 3 301.434 2.211 20 30 DEEDHN CCC(CC)(CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)SC ZINC000884160989 691670348 /nfs/dbraw/zinc/67/03/48/691670348.db2.gz TVYCDUBMUFGGGQ-OWYJLGKBSA-N 0 3 309.479 2.164 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc3ncccc3c1)C2 ZINC000884185170 691676691 /nfs/dbraw/zinc/67/66/91/691676691.db2.gz MOMLMJFOIAZVNE-TXKKKEFDSA-N 0 3 306.369 2.313 20 30 DEEDHN C=CCCN1CC(N(C)C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001043363752 691700318 /nfs/dbraw/zinc/70/03/18/691700318.db2.gz KMOJFHHSEKVDGF-UHFFFAOYSA-N 0 3 316.327 2.069 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(C(F)F)cc1)C2 ZINC000884313351 691707361 /nfs/dbraw/zinc/70/73/61/691707361.db2.gz BYYUVXRMNMFRPV-XOYHFGRZSA-N 0 3 319.355 2.380 20 30 DEEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(F)c1F ZINC000884329217 691711577 /nfs/dbraw/zinc/71/15/77/691711577.db2.gz IOSDTOKDMCLZIR-CPJULBENSA-N 0 3 319.355 2.281 20 30 DEEDHN COc1cc(C)c(C)cc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884399948 691729557 /nfs/dbraw/zinc/72/95/57/691729557.db2.gz SBEIZDVYUYXVOR-FVRSWCFKSA-N 0 3 313.401 2.390 20 30 DEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)C1CCCCC1 ZINC000884416577 691733996 /nfs/dbraw/zinc/73/39/96/691733996.db2.gz GNHQRHNAYRWNKE-ZFRYHDOHSA-N 0 3 303.450 2.458 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)C(=O)C(C)(C)C)[C@@H](C)C1 ZINC001044508761 691843295 /nfs/dbraw/zinc/84/32/95/691843295.db2.gz NRXZHVAPYYERCM-RYUDHWBXSA-N 0 3 300.830 2.323 20 30 DEEDHN CC[C@H](OC)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001044951963 691918738 /nfs/dbraw/zinc/91/87/38/691918738.db2.gz DACOGQUJLGZCCT-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H]1CNCc1cnc(Cl)s1 ZINC001044962382 691920229 /nfs/dbraw/zinc/92/02/29/691920229.db2.gz JGNRGFMCSHAALW-ZJUUUORDSA-N 0 3 312.826 2.037 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001045054192 691933880 /nfs/dbraw/zinc/93/38/80/691933880.db2.gz XWPZONRJYMYKGE-AWEZNQCLSA-N 0 3 324.856 2.279 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@H]2CNCc2cncn2C)CC1 ZINC001045182640 691947540 /nfs/dbraw/zinc/94/75/40/691947540.db2.gz VOSTVJUUMPOBEN-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNCc1cnc(C)nc1 ZINC001045186113 691948418 /nfs/dbraw/zinc/94/84/18/691948418.db2.gz YWGMIUUZQMYDKH-FUHWJXTLSA-N 0 3 316.449 2.468 20 30 DEEDHN N#Cc1ccc(N2CCN(C[C@H]3C[C@@]34CCOC4)CC2)c(F)c1 ZINC000885979784 691976878 /nfs/dbraw/zinc/97/68/78/691976878.db2.gz MMXRCMBCEZGTHH-CRAIPNDOSA-N 0 3 315.392 2.246 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC001045494564 691988593 /nfs/dbraw/zinc/98/85/93/691988593.db2.gz UDYCVEFKGVBNSI-INIZCTEOSA-N 0 3 300.402 2.147 20 30 DEEDHN Cc1nn(C)cc1[C@@H]1CCCN1C[C@H](O)CC1(C#N)CCC1 ZINC000886039302 691990305 /nfs/dbraw/zinc/99/03/05/691990305.db2.gz JPIKJVPYWQWALR-ZBFHGGJFSA-N 0 3 302.422 2.310 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001045505583 691990775 /nfs/dbraw/zinc/99/07/75/691990775.db2.gz LBZNKTKVIHBKTE-UHFFFAOYSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CC23CC(OCC)C3)CC1 ZINC001045558290 691996766 /nfs/dbraw/zinc/99/67/66/691996766.db2.gz IKMRYONHLLJAHK-SWKXRBFHSA-N 0 3 306.450 2.348 20 30 DEEDHN CN(C[C@@H](O)CC1(C#N)CCC1)[C@@H]1CCCc2c1cnn2C ZINC000886081482 691999270 /nfs/dbraw/zinc/99/92/70/691999270.db2.gz QHAPYKSYGQNXQX-DZGCQCFKSA-N 0 3 302.422 2.174 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC001045613566 692004876 /nfs/dbraw/zinc/00/48/76/692004876.db2.gz TZZAPMJNVRDFTD-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cccc(NC(C)=O)c2)CC1 ZINC001045639003 692009113 /nfs/dbraw/zinc/00/91/13/692009113.db2.gz VGKNVQBOGWTEKO-UHFFFAOYSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2Cc3cccc(F)c3O2)CC1 ZINC001045643602 692009510 /nfs/dbraw/zinc/00/95/10/692009510.db2.gz NJYTUROTRDCMET-HNNXBMFYSA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2Cc3cccc(F)c3O2)CC1 ZINC001045643603 692009793 /nfs/dbraw/zinc/00/97/93/692009793.db2.gz NJYTUROTRDCMET-OAHLLOKOSA-N 0 3 318.392 2.286 20 30 DEEDHN N#CC1(C[C@H](O)CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCC1 ZINC000886211118 692024341 /nfs/dbraw/zinc/02/43/41/692024341.db2.gz JKQPBZYVICLNMM-HRCADAONSA-N 0 3 304.434 2.465 20 30 DEEDHN C#CCN1CCC[C@H](NCc2c(Cl)n(C)nc2C(C)C)C1 ZINC000886213402 692025759 /nfs/dbraw/zinc/02/57/59/692025759.db2.gz SBUJKWRDJFFIMY-ZDUSSCGKSA-N 0 3 308.857 2.384 20 30 DEEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1cccc(OC)c1 ZINC000886278653 692043629 /nfs/dbraw/zinc/04/36/29/692043629.db2.gz FTRIYNWKDNUBQC-NVXWUHKLSA-N 0 3 318.417 2.417 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(C)n1C)C2 ZINC001045911650 692047270 /nfs/dbraw/zinc/04/72/70/692047270.db2.gz NRFFUUXSCBTVLR-LJQANCHMSA-N 0 3 313.445 2.285 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ncoc1C)C2 ZINC001045918192 692049986 /nfs/dbraw/zinc/04/99/86/692049986.db2.gz LPMDJPCOIXNENK-SFHVURJKSA-N 0 3 315.417 2.325 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCCOC1)C2 ZINC001045985308 692069421 /nfs/dbraw/zinc/06/94/21/692069421.db2.gz QXEPYLRVEVRSNA-PKOBYXMFSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN(C(=O)c1scnc1C1CC1)C1CCN(C)CC1 ZINC000886578928 692116194 /nfs/dbraw/zinc/11/61/94/692116194.db2.gz RMBNNHZBQIWQBW-UHFFFAOYSA-N 0 3 303.431 2.190 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)c1cccc(F)c1)C1CCN(C)CC1 ZINC000886581136 692117504 /nfs/dbraw/zinc/11/75/04/692117504.db2.gz KSVAHBNRXDCDLN-AWEZNQCLSA-N 0 3 302.393 2.485 20 30 DEEDHN C#CCN(C(=O)Cc1cccc(Cl)c1)C1CCN(C)CC1 ZINC000886582175 692117618 /nfs/dbraw/zinc/11/76/18/692117618.db2.gz IVVMDNRNBKTTJD-UHFFFAOYSA-N 0 3 304.821 2.439 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccnn2CC2CCC2)C1 ZINC001046319734 692152494 /nfs/dbraw/zinc/15/24/94/692152494.db2.gz VRBCIJMLBRFQGK-GOSISDBHSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(OCC)nc2)C1 ZINC001046361929 692166513 /nfs/dbraw/zinc/16/65/13/692166513.db2.gz MHFKXDPWGXSASB-QGZVFWFLSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001046371757 692169002 /nfs/dbraw/zinc/16/90/02/692169002.db2.gz NCKOLBLWYXBMMC-INIZCTEOSA-N 0 3 307.344 2.237 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001046378052 692172329 /nfs/dbraw/zinc/17/23/29/692172329.db2.gz RWVARTIBUDTNHD-SFHVURJKSA-N 0 3 311.385 2.321 20 30 DEEDHN C=CCC1(O)CCN(C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000886757681 692184658 /nfs/dbraw/zinc/18/46/58/692184658.db2.gz OEAJQKWRFBZQDE-KRWDZBQOSA-N 0 3 319.445 2.446 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001046475923 692197782 /nfs/dbraw/zinc/19/77/82/692197782.db2.gz LVFOMRXVNRJXFU-GOSISDBHSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001046533778 692215650 /nfs/dbraw/zinc/21/56/50/692215650.db2.gz WEOAPTXKDSRNPX-SFHVURJKSA-N 0 3 312.369 2.173 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001046574430 692227611 /nfs/dbraw/zinc/22/76/11/692227611.db2.gz SJPYMQSZSBIJPQ-SJLPKXTDSA-N 0 3 300.377 2.069 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3c2OCC3)C1 ZINC001046644751 692245569 /nfs/dbraw/zinc/24/55/69/692245569.db2.gz PAVKHNMJWZDXAF-GOSISDBHSA-N 0 3 300.402 2.392 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2noc3c2CCCCC3)C1 ZINC001046665574 692253756 /nfs/dbraw/zinc/25/37/56/692253756.db2.gz NXSDSRUEJYIJKL-SFHVURJKSA-N 0 3 315.417 2.161 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001046703153 692266977 /nfs/dbraw/zinc/26/69/77/692266977.db2.gz XVRPGBXLMQAMKO-SFHVURJKSA-N 0 3 300.402 2.221 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001046739133 692279026 /nfs/dbraw/zinc/27/90/26/692279026.db2.gz JSWPEWMHKLURQJ-UGSOOPFHSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cnn(CCCC)c2C)C1 ZINC001046760887 692289480 /nfs/dbraw/zinc/28/94/80/692289480.db2.gz NZFOUEDDWFOXEQ-SFHVURJKSA-N 0 3 316.449 2.209 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001046772912 692293814 /nfs/dbraw/zinc/29/38/14/692293814.db2.gz CJHMQPJRPSKWAM-GOSISDBHSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001046929461 692337074 /nfs/dbraw/zinc/33/70/74/692337074.db2.gz QASWRCWFTZBUIN-BYNSBNAKSA-N 0 3 310.388 2.129 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C(C)C)CCC2(F)F)nc1 ZINC001046988914 692349637 /nfs/dbraw/zinc/34/96/37/692349637.db2.gz PBMFNVPCQMHJKR-CQSZACIVSA-N 0 3 321.371 2.158 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C/C=C/Cl)C3)[nH]1 ZINC001047055617 692365356 /nfs/dbraw/zinc/36/53/56/692365356.db2.gz WCHHZPVKUHLVPS-OMFBFCKCSA-N 0 3 318.808 2.222 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)c3ccon3)C2)CC1 ZINC001047230394 692398793 /nfs/dbraw/zinc/39/87/93/692398793.db2.gz UXFYFCOZBJBZIL-INIZCTEOSA-N 0 3 315.417 2.262 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)CC1 ZINC001047238593 692400651 /nfs/dbraw/zinc/40/06/51/692400651.db2.gz BTFZBXWTVSBFAE-JYJNAYRXSA-N 0 3 324.415 2.471 20 30 DEEDHN C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001047363643 692416673 /nfs/dbraw/zinc/41/66/73/692416673.db2.gz NIIKPXXRCOMFCX-STQMWFEESA-N 0 3 312.797 2.016 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001047541444 692435817 /nfs/dbraw/zinc/43/58/17/692435817.db2.gz OLOYSOMHQNPUNU-NCOADZHNSA-N 0 3 320.477 2.282 20 30 DEEDHN C#CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000888689145 692574523 /nfs/dbraw/zinc/57/45/23/692574523.db2.gz UCUDFRSWSRNMTH-BPQIPLTHSA-N 0 3 311.429 2.487 20 30 DEEDHN C[C@H]1CN(C(=O)c2cnco2)C[C@H]1CNCc1ccccc1C#N ZINC001048333713 692599863 /nfs/dbraw/zinc/59/98/63/692599863.db2.gz MGDZHKBGSPZTCJ-XJKSGUPXSA-N 0 3 324.384 2.044 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)N2CCC23CCN(C)CC3)cc1 ZINC000889220237 692667930 /nfs/dbraw/zinc/66/79/30/692667930.db2.gz PUMZKTOBUXKIDJ-FPLPWBNLSA-N 0 3 312.413 2.431 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001048826988 692705061 /nfs/dbraw/zinc/70/50/61/692705061.db2.gz QECUAJIBNSHGFS-FBTPNAFQSA-N 0 3 324.852 2.110 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc4c(o3)CCCC4)C[C@@H]2C1 ZINC001048856217 692710050 /nfs/dbraw/zinc/71/00/50/692710050.db2.gz RJFMPXIMLXDTJH-IYBDPMFKSA-N 0 3 312.413 2.186 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(C)[nH]c4ccccc43)C[C@@H]2C1 ZINC001048928852 692724911 /nfs/dbraw/zinc/72/49/11/692724911.db2.gz OOMAYSDALFEMGN-GASCZTMLSA-N 0 3 307.397 2.113 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3ccsc3)C[C@@H]2C1 ZINC001049053194 692753208 /nfs/dbraw/zinc/75/32/08/692753208.db2.gz LERVGBKKOOVVQL-CWRNSKLLSA-N 0 3 302.443 2.265 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(F)cc(Cl)c3)C[C@@H]2C1 ZINC001049077492 692757109 /nfs/dbraw/zinc/75/71/09/692757109.db2.gz ZGVAUGDHOUMATI-BETUJISGSA-N 0 3 306.768 2.116 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc4cccnc4c3)C[C@@H]2C1 ZINC001049120297 692768595 /nfs/dbraw/zinc/76/85/95/692768595.db2.gz QFPBOTUESSYMSC-HDICACEKSA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc4c(C)cccn4c3)C[C@@H]2C1 ZINC001049169946 692778753 /nfs/dbraw/zinc/77/87/53/692778753.db2.gz YPWCIAGJDCXYJZ-HDICACEKSA-N 0 3 321.424 2.275 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@@H]2C1 ZINC001049210055 692790693 /nfs/dbraw/zinc/79/06/93/692790693.db2.gz NUBDNTUGMSRWRA-CALCHBBNSA-N 0 3 321.424 2.422 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccsc1 ZINC001049312877 692832248 /nfs/dbraw/zinc/83/22/48/692832248.db2.gz PYOIYNLZAYATCX-JKSUJKDBSA-N 0 3 302.443 2.379 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccnn1CCC ZINC001049498593 692902426 /nfs/dbraw/zinc/90/24/26/692902426.db2.gz PSKDUOBKDGQPDT-CABCVRRESA-N 0 3 302.422 2.158 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(Cl)n[nH]c1CC ZINC001049519746 692909128 /nfs/dbraw/zinc/90/91/28/692909128.db2.gz ATJVZFPGGNXIEC-OLZOCXBDSA-N 0 3 322.840 2.490 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(CC(F)F)n1 ZINC001049531831 692913876 /nfs/dbraw/zinc/91/38/76/692913876.db2.gz DNCCIGSCADVQEZ-KGLIPLIRSA-N 0 3 324.375 2.013 20 30 DEEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc(F)cc1F ZINC001049559322 692920711 /nfs/dbraw/zinc/92/07/11/692920711.db2.gz UZHKKPVGMBJHES-LSDHHAIUSA-N 0 3 319.355 2.062 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2ncn(C)c21 ZINC001049560197 692921341 /nfs/dbraw/zinc/92/13/41/692921341.db2.gz BQPASIRLMGOMLS-IAGOWNOFSA-N 0 3 324.428 2.438 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]nc1CCC ZINC001049563782 692922752 /nfs/dbraw/zinc/92/27/52/692922752.db2.gz DIKVPIBNJQJTMS-CVEARBPZSA-N 0 3 302.422 2.227 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc2[nH]ccc21 ZINC001049566418 692923137 /nfs/dbraw/zinc/92/31/37/692923137.db2.gz 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JPQYZWGGWNURAI-UHFFFAOYSA-N 0 3 310.829 2.044 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001381962961 1153291603 /nfs/dbraw/zinc/29/16/03/1153291603.db2.gz WGELJZQALZPNHE-KQTLUZQSSA-N 0 3 312.841 2.183 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)[C@H]2C[C@@H]2C)cc1C#N ZINC001382112894 1153362010 /nfs/dbraw/zinc/36/20/10/1153362010.db2.gz BUAIJFHRZBEIOI-ZENOOKHLSA-N 0 3 315.417 2.159 20 30 DEEDHN Cc1ncc(CN2CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC2)s1 ZINC001382556908 1153469746 /nfs/dbraw/zinc/46/97/46/1153469746.db2.gz NCPONDSOSUQJGC-VXGBXAGGSA-N 0 3 320.462 2.328 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)CCOC)C1 ZINC001382588976 1153476977 /nfs/dbraw/zinc/47/69/77/1153476977.db2.gz DZFRRLJNNZCJHL-UHFFFAOYSA-N 0 3 302.846 2.381 20 30 DEEDHN C[C@H](CNC(=O)c1ccccc1[O-])[NH2+]Cc1ccc(C#N)s1 ZINC001390281859 1155623276 /nfs/dbraw/zinc/62/32/76/1155623276.db2.gz FWBBUUSSDYEQLQ-LLVKDONJSA-N 0 3 315.398 2.233 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1cscn1 ZINC001390738870 1155856173 /nfs/dbraw/zinc/85/61/73/1155856173.db2.gz YMEFPHUDYLNITA-NSHDSACASA-N 0 3 301.843 2.313 20 30 DEEDHN CCN(CCNC(=O)c1[nH]ccc1C)Cc1cccc(C#N)c1 ZINC001390895358 1155926488 /nfs/dbraw/zinc/92/64/88/1155926488.db2.gz XXHPQTCNLVIKGQ-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CCN(CCNC(=O)COC(C)(C)C)Cc1cccc(C#N)c1 ZINC001390902796 1155940499 /nfs/dbraw/zinc/94/04/99/1155940499.db2.gz OTYPHOMYDMBUEY-UHFFFAOYSA-N 0 3 317.433 2.311 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001372634946 1156623839 /nfs/dbraw/zinc/62/38/39/1156623839.db2.gz XEZPQSIXRASQOV-CVEARBPZSA-N 0 3 303.381 2.244 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C2CC2)nn1C)C(C)C ZINC001392219733 1156895803 /nfs/dbraw/zinc/89/58/03/1156895803.db2.gz WWDSFZBFHHMVNB-AWEZNQCLSA-N 0 3 324.856 2.394 20 30 DEEDHN CCCC[C@@H](CNCc1ncccc1C)NC(=O)[C@H](C)C#N ZINC001403264002 1162831084 /nfs/dbraw/zinc/83/10/84/1162831084.db2.gz BGLLFFLWMJJIEK-CABCVRRESA-N 0 3 302.422 2.314 20 30 DEEDHN C=C(Br)CNC[C@](C)(NC(=O)C1CC1)C1CC1 ZINC001373867036 1157396713 /nfs/dbraw/zinc/39/67/13/1157396713.db2.gz WJJSHWMKVLTMOC-ZDUSSCGKSA-N 0 3 301.228 2.180 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@](C)(CNCc1ccncc1Cl)C1CC1 ZINC001373880530 1157430700 /nfs/dbraw/zinc/43/07/00/1157430700.db2.gz YJJNMDYJYZFMQS-BZNIZROVSA-N 0 3 320.824 2.269 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)Cc1ccco1 ZINC001374308027 1157808237 /nfs/dbraw/zinc/80/82/37/1157808237.db2.gz VCQSUMCPGQIKPO-LBPRGKRZSA-N 0 3 317.414 2.392 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](CNC(=O)C(C)C)C1 ZINC001375522574 1158800937 /nfs/dbraw/zinc/80/09/37/1158800937.db2.gz JESZXMLYHAVADU-KOMQPUFPSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCCn2ccnc2C)C1 ZINC001375578419 1158819065 /nfs/dbraw/zinc/81/90/65/1158819065.db2.gz XMIYNWFSDPXHPK-GASCZTMLSA-N 0 3 324.856 2.209 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2cccc3cccnc32)C1 ZINC001375817714 1158881740 /nfs/dbraw/zinc/88/17/40/1158881740.db2.gz BOXGXRZIPJJPRX-KUHUBIRLSA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnccn1 ZINC001376009208 1159047413 /nfs/dbraw/zinc/04/74/13/1159047413.db2.gz DJRGRIQAUAAVDN-JSGCOSHPSA-N 0 3 308.813 2.202 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1CC12CC2)NCc1ccc(F)c(C#N)c1 ZINC001403584081 1163021810 /nfs/dbraw/zinc/02/18/10/1163021810.db2.gz HTVJUTZZNQISCM-IUODEOHRSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H](C)CSC)C1 ZINC001376362177 1159361816 /nfs/dbraw/zinc/36/18/16/1159361816.db2.gz GHUAZOBJKSBFAB-LSJOCFKGSA-N 0 3 321.284 2.131 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NCc1ccc(C#N)s1 ZINC001376697307 1159698751 /nfs/dbraw/zinc/69/87/51/1159698751.db2.gz LSAZMJKHGZEMLH-RABLLNBGSA-N 0 3 303.431 2.260 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CCCOCC1)NCc1ccc(C#N)s1 ZINC001376721049 1159722900 /nfs/dbraw/zinc/72/29/00/1159722900.db2.gz YLBKGOVNHSGZEC-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)Oc1ccccn1 ZINC001377106080 1159902480 /nfs/dbraw/zinc/90/24/80/1159902480.db2.gz SYLWOOCTUODHHB-STQMWFEESA-N 0 3 311.813 2.086 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H](C)CC)CCOCC1 ZINC001377186383 1160020709 /nfs/dbraw/zinc/02/07/09/1160020709.db2.gz CZTYZUAEQYOEEP-LBPRGKRZSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(CCOC)CC2)C1 ZINC001377704245 1160757261 /nfs/dbraw/zinc/75/72/61/1160757261.db2.gz GIMUZEDGQBHWOW-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnn(C)c1C ZINC001377944145 1160878824 /nfs/dbraw/zinc/87/88/24/1160878824.db2.gz JIVVRMKZLNCCDA-UHFFFAOYSA-N 0 3 312.845 2.169 20 30 DEEDHN CC1(C(=O)NC[C@H](NCc2cc(C#N)ccc2F)C2CC2)CC1 ZINC001398423051 1160884537 /nfs/dbraw/zinc/88/45/37/1160884537.db2.gz WHVZEZHNYXZODC-INIZCTEOSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)CN(C)C(C)C)C1 ZINC001400146157 1161666211 /nfs/dbraw/zinc/66/62/11/1161666211.db2.gz NBWVXYPBSVJFEC-OAHLLOKOSA-N 0 3 315.889 2.392 20 30 DEEDHN Cc1cc(CNC2(CNC(=O)[C@H](C)C#N)CCCC2)sn1 ZINC001401174150 1161886773 /nfs/dbraw/zinc/88/67/73/1161886773.db2.gz DXKRQUPIIWBECN-LLVKDONJSA-N 0 3 306.435 2.130 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)Cc3ccoc3)CC2)c1 ZINC001401935370 1162188480 /nfs/dbraw/zinc/18/84/80/1162188480.db2.gz JOPISTLQWAGEES-UHFFFAOYSA-N 0 3 309.369 2.132 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@](C)(CNCc2c(F)cccc2F)C1 ZINC001402169994 1162273535 /nfs/dbraw/zinc/27/35/35/1162273535.db2.gz ZLCYRKRUTPUXFJ-SJKOYZFVSA-N 0 3 321.371 2.453 20 30 DEEDHN CCN(CCNC(=O)[C@@H](OC)C(C)C)Cc1ccc(C#N)cc1 ZINC001403904217 1163279903 /nfs/dbraw/zinc/27/99/03/1163279903.db2.gz HMOPNXUMTFVQNG-KRWDZBQOSA-N 0 3 317.433 2.167 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)[C@H]1CCc2ccc(F)cc21 ZINC001492927167 1163372428 /nfs/dbraw/zinc/37/24/28/1163372428.db2.gz RHDZDCCXKMOSCN-LRDDRELGSA-N 0 3 303.381 2.411 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001405800887 1164249177 /nfs/dbraw/zinc/24/91/77/1164249177.db2.gz ABSBYQHGRRWIJK-GFCCVEGCSA-N 0 3 320.824 2.445 20 30 DEEDHN CN(CCF)CCC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001405969936 1164363668 /nfs/dbraw/zinc/36/36/68/1164363668.db2.gz MYGDBUANURHCFW-UHFFFAOYSA-N 0 3 306.385 2.030 20 30 DEEDHN CCOCC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001417890894 1167284938 /nfs/dbraw/zinc/28/49/38/1167284938.db2.gz DCFPBGKPYRPIKG-UHFFFAOYSA-N 0 3 315.417 2.018 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001418049435 1167382331 /nfs/dbraw/zinc/38/23/31/1167382331.db2.gz INDVNFHHPISEPU-UKJIMTQDSA-N 0 3 307.344 2.422 20 30 DEEDHN C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)NCc1ccccc1C#N ZINC001418394835 1167624678 /nfs/dbraw/zinc/62/46/78/1167624678.db2.gz VXSRUAVYVKIDDP-CYBMUJFWSA-N 0 3 321.384 2.056 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001418573290 1167820825 /nfs/dbraw/zinc/82/08/25/1167820825.db2.gz CMUVYHCRZOCLLP-NSHDSACASA-N 0 3 324.856 2.339 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001419074826 1168180350 /nfs/dbraw/zinc/18/03/50/1168180350.db2.gz CQPAVECFMIYXEM-HIFRSBDPSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001419506026 1168547277 /nfs/dbraw/zinc/54/72/77/1168547277.db2.gz LCNQRSGUHAGEOA-SOUVJXGZSA-N 0 3 324.856 2.440 20 30 DEEDHN Cc1cccc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)n1 ZINC001419707274 1168811723 /nfs/dbraw/zinc/81/17/23/1168811723.db2.gz MISQAUQWSWPCRF-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN COCCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001420014847 1169063774 /nfs/dbraw/zinc/06/37/74/1169063774.db2.gz IUQKVOHNIIXDFT-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1CC2(CC2)C1 ZINC001420466504 1169604495 /nfs/dbraw/zinc/60/44/95/1169604495.db2.gz RNSPQMPUNFNIAL-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN CC(F)(F)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001420973150 1171391567 /nfs/dbraw/zinc/39/15/67/1171391567.db2.gz ANFSMFWPLBMRBV-UHFFFAOYSA-N 0 3 307.344 2.342 20 30 DEEDHN COc1ccc(CN2CCC(C)(NC(=O)[C@H](C)C#N)CC2)cc1 ZINC001421137877 1171521699 /nfs/dbraw/zinc/52/16/99/1171521699.db2.gz KBLOSPNDQFBCOO-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@](C)(O)C2CC2)CCCC1 ZINC001421503183 1171824614 /nfs/dbraw/zinc/82/46/14/1171824614.db2.gz HZLKHJSZXYYCSX-HNNXBMFYSA-N 0 3 314.857 2.309 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001421838757 1172033696 /nfs/dbraw/zinc/03/36/96/1172033696.db2.gz PILFMKMKFROUKJ-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1cc(C#N)cc(C)c1C[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001422194562 1172384068 /nfs/dbraw/zinc/38/40/68/1172384068.db2.gz LZJWMWJAKXTZAY-UHFFFAOYSA-N 0 3 310.405 2.143 20 30 DEEDHN Cc1cc(C#N)cc(C)c1C[NH+]1CCC(Cc2nn[n-]n2)CC1 ZINC001422194562 1172384075 /nfs/dbraw/zinc/38/40/75/1172384075.db2.gz LZJWMWJAKXTZAY-UHFFFAOYSA-N 0 3 310.405 2.143 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001422281888 1172455670 /nfs/dbraw/zinc/45/56/70/1172455670.db2.gz WGELJZQALZPNHE-MNSOJDNVSA-N 0 3 312.841 2.183 20 30 DEEDHN C[C@H]([N-]C(=O)C(C)(F)F)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001422292910 1172460773 /nfs/dbraw/zinc/46/07/73/1172460773.db2.gz GJBAOOVHLSCLOB-IUCAKERBSA-N 0 3 301.362 2.258 20 30 DEEDHN C[C@@H]([N-]C(=O)C(C)(F)F)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001422292906 1172461514 /nfs/dbraw/zinc/46/15/14/1172461514.db2.gz GJBAOOVHLSCLOB-DTWKUNHWSA-N 0 3 301.362 2.258 20 30 DEEDHN COC[C@@H](C)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001422577491 1172724334 /nfs/dbraw/zinc/72/43/34/1172724334.db2.gz VHVHZSMDACBDFU-GJZGRUSLSA-N 0 3 317.433 2.167 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001422633053 1172781205 /nfs/dbraw/zinc/78/12/05/1172781205.db2.gz MHUUOZGDYLQOJC-XHDPSFHLSA-N 0 3 323.437 2.433 20 30 DEEDHN CCO[C@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001422641927 1172787886 /nfs/dbraw/zinc/78/78/86/1172787886.db2.gz CJZPVPZYYOFBID-WFASDCNBSA-N 0 3 323.462 2.275 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cnoc2)CCCCC1 ZINC001422681557 1172806349 /nfs/dbraw/zinc/80/63/49/1172806349.db2.gz GIFNZLZQWNFTCG-UHFFFAOYSA-N 0 3 311.813 2.378 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)C3CC(F)(F)C3)CC2)c1 ZINC001423193208 1173159751 /nfs/dbraw/zinc/15/97/51/1173159751.db2.gz LWWLWYNHZXCQJD-UHFFFAOYSA-N 0 3 319.355 2.342 20 30 DEEDHN CCOCC(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001423587762 1173430799 /nfs/dbraw/zinc/43/07/99/1173430799.db2.gz DCZRKYJZJWZNIO-CQSZACIVSA-N 0 3 323.462 2.277 20 30 DEEDHN CC1(CNC(=O)c2ccc(C#N)[nH]2)CCN(C/C=C\Cl)CC1 ZINC001423664915 1173475943 /nfs/dbraw/zinc/47/59/43/1173475943.db2.gz BJIYXGHVZSDKKH-UQCOIBPSSA-N 0 3 320.824 2.471 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2ccccn2)C1 ZINC001424729201 1173890186 /nfs/dbraw/zinc/89/01/86/1173890186.db2.gz IZBWJKSSDNEOQW-UHFFFAOYSA-N 0 3 307.825 2.251 20 30 DEEDHN C[C@H](NCc1ccccc1F)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001424769877 1173916248 /nfs/dbraw/zinc/91/62/48/1173916248.db2.gz YUEUJLYGPWCYID-RYUDHWBXSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001424864917 1173999513 /nfs/dbraw/zinc/99/95/13/1173999513.db2.gz OPGWYXBCLGGEGN-UHFFFAOYSA-N 0 3 308.813 2.327 20 30 DEEDHN Cc1nsc(N2CCN[C@H](c3ccc(O)cc3)C2)c1C#N ZINC001434447421 1178565922 /nfs/dbraw/zinc/56/59/22/1178565922.db2.gz SRKYVVZQDHQWPW-AWEZNQCLSA-N 0 3 300.387 2.180 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H](c3ncccn3)C2)c1 ZINC001434492006 1178662811 /nfs/dbraw/zinc/66/28/11/1178662811.db2.gz GECUJLHAIMHEOP-OAHLLOKOSA-N 0 3 321.384 2.166 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001436368061 1179064651 /nfs/dbraw/zinc/06/46/51/1179064651.db2.gz UPFOIZQCXJEQEI-MCIONIFRSA-N 0 3 323.824 2.086 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)c[nH]1 ZINC001436948983 1179315538 /nfs/dbraw/zinc/31/55/38/1179315538.db2.gz ZYYNUWPMYSNHHD-AOOOYVTPSA-N 0 3 313.188 2.056 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@H]1CCN(C(=O)CCCF)C1 ZINC001437306572 1179707037 /nfs/dbraw/zinc/70/70/37/1179707037.db2.gz ARLWYZDUSAGTJS-CYBMUJFWSA-N 0 3 321.371 2.385 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccn[nH]2)CCCC[C@@H]1C ZINC001438430254 1180415179 /nfs/dbraw/zinc/41/51/79/1180415179.db2.gz RVVRVGWPRFILNJ-XHDPSFHLSA-N 0 3 310.829 2.431 20 30 DEEDHN Cc1cccc(C)c1OCCN(C)CCN(C)C(=O)[C@@H](C)C#N ZINC001438863588 1180834203 /nfs/dbraw/zinc/83/42/03/1180834203.db2.gz HQFKXJVFAOKEFW-INIZCTEOSA-N 0 3 317.433 2.232 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001439102513 1180883485 /nfs/dbraw/zinc/88/34/85/1180883485.db2.gz PEBKMMPRRPZLQG-ZHAHWJHGSA-N 0 3 313.373 2.115 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1nccs1 ZINC001439165009 1180906875 /nfs/dbraw/zinc/90/68/75/1180906875.db2.gz HQTLDNSZQNUOOE-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001439693342 1181202490 /nfs/dbraw/zinc/20/24/90/1181202490.db2.gz NLPHLPQGWMKUEV-UHFFFAOYSA-N 0 3 322.840 2.479 20 30 DEEDHN CO[C@H](C)C(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001440423417 1181503782 /nfs/dbraw/zinc/50/37/82/1181503782.db2.gz PYDVSRVMSGYOFW-CYBMUJFWSA-N 0 3 321.396 2.013 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn3ccccc23)C1 ZINC001440759801 1181678193 /nfs/dbraw/zinc/67/81/93/1181678193.db2.gz LGOSXFVLYOJSLI-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN Cc1ncoc1C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001440775910 1181684979 /nfs/dbraw/zinc/68/49/79/1181684979.db2.gz KVJRFWSXULHFTA-UWVGGRQHSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H](C)CO1 ZINC001440872027 1181738091 /nfs/dbraw/zinc/73/80/91/1181738091.db2.gz CHUNYJSMXICZMP-AAEUAGOBSA-N 0 3 302.846 2.238 20 30 DEEDHN Cc1nc(CN[C@H](CCNC(=O)[C@H](C)C#N)C(C)C)c(C)o1 ZINC001441400512 1181976995 /nfs/dbraw/zinc/97/69/95/1181976995.db2.gz IUEIBYDYTYHQKY-BXUZGUMPSA-N 0 3 306.410 2.072 20 30 DEEDHN C[C@H](CCNC(=O)[C@@H]1CC12CC2)NCc1cc(C#N)ccc1F ZINC001442311052 1182415023 /nfs/dbraw/zinc/41/50/23/1182415023.db2.gz NGZYSNQQLKCSDR-DOMZBBRYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ncccc1F)C1CC1 ZINC001444139625 1183297373 /nfs/dbraw/zinc/29/73/73/1183297373.db2.gz YXTIOXWDAFWZDQ-OAHLLOKOSA-N 0 3 311.788 2.461 20 30 DEEDHN Cc1cc(C(=O)N(C)[C@@H](C)CNCc2ccc(C#N)s2)on1 ZINC001444581974 1183466067 /nfs/dbraw/zinc/46/60/67/1183466067.db2.gz OLDOBIPNEGPOKB-NSHDSACASA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)CN2CCCC2)CC1 ZINC001446660613 1184478460 /nfs/dbraw/zinc/47/84/60/1184478460.db2.gz LATMPZYHVDSFLL-UHFFFAOYSA-N 0 3 313.873 2.053 20 30 DEEDHN CC(C)CCCN1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001447709234 1184846976 /nfs/dbraw/zinc/84/69/76/1184846976.db2.gz ZEFZBVGSXANESA-MRXNPFEDSA-N 0 3 321.465 2.276 20 30 DEEDHN C[C@@H](CNC(=O)C1=COCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001447995522 1185008516 /nfs/dbraw/zinc/00/85/16/1185008516.db2.gz JEKNRMIBIIAQPV-AWEZNQCLSA-N 0 3 313.401 2.189 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC001448288415 1185151419 /nfs/dbraw/zinc/15/14/19/1185151419.db2.gz TWGSFLLUMKQIJV-KBPBESRZSA-N 0 3 322.412 2.331 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001448510736 1185265272 /nfs/dbraw/zinc/26/52/72/1185265272.db2.gz KESZOGGGXBQUQS-IHRRRGAJSA-N 0 3 312.841 2.040 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001448527050 1185275491 /nfs/dbraw/zinc/27/54/91/1185275491.db2.gz QAUIFABFIRONEB-SRVKXCTJSA-N 0 3 313.239 2.180 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CNc1ccccc1OC ZINC001448880815 1185445455 /nfs/dbraw/zinc/44/54/55/1185445455.db2.gz DYAJJXLEVNZGKY-UHFFFAOYSA-N 0 3 305.422 2.073 20 30 DEEDHN COc1ccc(Cl)cc1CCNC(=O)[C@@H](N)CCCC#N ZINC001331889245 1149754726 /nfs/dbraw/zinc/75/47/26/1149754726.db2.gz OFDBGLXRRZZINP-ZDUSSCGKSA-N 0 3 309.797 2.028 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 ZINC001072856205 790275829 /nfs/dbraw/zinc/27/58/29/790275829.db2.gz ZJPQTKTZLJTSNF-UHFFFAOYSA-N 0 3 314.351 2.277 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2ncc(Cl)n2C)C1 ZINC001332238725 1149838909 /nfs/dbraw/zinc/83/89/09/1149838909.db2.gz DSRFZZWNEWUGDY-STQMWFEESA-N 0 3 324.856 2.414 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](CNCc2nccn2CC)[C@H](C)C1 ZINC001106190021 782488837 /nfs/dbraw/zinc/48/88/37/782488837.db2.gz OTFGNGYCYFDOIU-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN CCC1(C(=O)N2C[C@H](NCC#CCOC)C(C)(C)C2)CCCC1 ZINC001332437962 1149860201 /nfs/dbraw/zinc/86/02/01/1149860201.db2.gz OVTUCRWYWPBVKZ-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cc(F)ccc3F)C2)C1 ZINC001072924828 790305784 /nfs/dbraw/zinc/30/57/84/790305784.db2.gz WXIUEGSIXMUEEF-UHFFFAOYSA-N 0 3 318.367 2.065 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1scc2c1OCCO2)C(C)C ZINC001332735269 1149886459 /nfs/dbraw/zinc/88/64/59/1149886459.db2.gz KXHKZLBXWGAANR-UHFFFAOYSA-N 0 3 324.446 2.488 20 30 DEEDHN C#CCCN(C)CCN(C(=O)CCc1c(C)noc1C)C(C)C ZINC001332740196 1149886975 /nfs/dbraw/zinc/88/69/75/1149886975.db2.gz DXGIBZFWZNNTQT-UHFFFAOYSA-N 0 3 319.449 2.416 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCSC)C[C@@H](C)O2 ZINC001111535662 782791453 /nfs/dbraw/zinc/79/14/53/782791453.db2.gz QCAJCFKYYXNZOQ-CQSZACIVSA-N 0 3 312.479 2.007 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)NC(C)=O ZINC001099245079 782869084 /nfs/dbraw/zinc/86/90/84/782869084.db2.gz GWCTWOBSEONMKB-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ocnc2C)CC(C)(C)C1 ZINC001089350238 782929764 /nfs/dbraw/zinc/92/97/64/782929764.db2.gz GHPVSPDTIZWNLE-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncc(F)c2)CC(C)(C)C1 ZINC001089351533 782937433 /nfs/dbraw/zinc/93/74/33/782937433.db2.gz LZORNBYCEGUEDZ-MRXNPFEDSA-N 0 3 317.408 2.464 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)ncn2)CC(C)(C)C1 ZINC001089362201 783028715 /nfs/dbraw/zinc/02/87/15/783028715.db2.gz COGWKKQMXLACDF-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC(=O)NCC ZINC001099315881 783047095 /nfs/dbraw/zinc/04/70/95/783047095.db2.gz JBJNNZIZSVZEKH-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ncc3ccccn32)CC(C)(C)C1 ZINC001089442148 783110146 /nfs/dbraw/zinc/11/01/46/783110146.db2.gz NSGIDCUGEWABMX-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000947391886 783124449 /nfs/dbraw/zinc/12/44/49/783124449.db2.gz SDQLUMVZOKSYMG-ZFWWWQNUSA-N 0 3 323.396 2.156 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nccc3cccnc32)C[C@@H]1C ZINC000947403879 783128282 /nfs/dbraw/zinc/12/82/82/783128282.db2.gz IBTUYAVRIVJDJO-ZFWWWQNUSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)C[C@H]1C ZINC000947469052 783144938 /nfs/dbraw/zinc/14/49/38/783144938.db2.gz VIWNTBQXTQRTTE-BXUZGUMPSA-N 0 3 318.421 2.050 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C[C@@H]1C ZINC000947489575 783151169 /nfs/dbraw/zinc/15/11/69/783151169.db2.gz WTWWGGLRGDUPKA-QWHCGFSZSA-N 0 3 302.422 2.057 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)c(C)nc2C)C[C@H]1C ZINC000947523297 783160005 /nfs/dbraw/zinc/16/00/05/783160005.db2.gz AINQKWFUFSQRNK-IAQYHMDHSA-N 0 3 302.422 2.171 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C[C@@H]1C ZINC000947521168 783160178 /nfs/dbraw/zinc/16/01/78/783160178.db2.gz XRYPIGXFYVVNJX-HOCLYGCPSA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(CC)n2)CC(C)(C)C1 ZINC001089512070 783175319 /nfs/dbraw/zinc/17/53/19/783175319.db2.gz YRRSFZHTYZZNHK-HNNXBMFYSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2C#C)CC(C)(C)C1 ZINC001089544867 783196879 /nfs/dbraw/zinc/19/68/79/783196879.db2.gz AZIPMWNZGZIMPW-LJQANCHMSA-N 0 3 322.452 2.450 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3ncccc23)CC(C)(C)C1 ZINC001089559106 783206678 /nfs/dbraw/zinc/20/66/78/783206678.db2.gz MRUVOGBILFWPBG-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCOC2)CC(C)(C)C1 ZINC001089562320 783207400 /nfs/dbraw/zinc/20/74/00/783207400.db2.gz BNMRDRUIIBTKAN-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2conc2C2CC2)C[C@H]1C ZINC000947716366 783211175 /nfs/dbraw/zinc/21/11/75/783211175.db2.gz VJIKYEJQIGVHMH-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3cnccc3n2)C[C@@H]1C ZINC000947750300 783222355 /nfs/dbraw/zinc/22/23/55/783222355.db2.gz NSSRUHRVRKVNHS-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(OC)c2C)C[C@H]1C ZINC000947754848 783223853 /nfs/dbraw/zinc/22/38/53/783223853.db2.gz VSTNAPUOXIGSQV-HIFRSBDPSA-N 0 3 300.402 2.220 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)c3cccnc3)C2)C1 ZINC001073031908 790404307 /nfs/dbraw/zinc/40/43/07/790404307.db2.gz UUPHBGDBKFATNN-INIZCTEOSA-N 0 3 311.429 2.133 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3oc(C4CC4)nc3C)C2)C1 ZINC001073044220 790414955 /nfs/dbraw/zinc/41/49/55/790414955.db2.gz PIDBJUMBNARHCG-UHFFFAOYSA-N 0 3 301.390 2.194 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001211487659 776530487 /nfs/dbraw/zinc/53/04/87/776530487.db2.gz YJOULCOJGVCUAK-RKDXNWHRSA-N 0 3 300.271 2.197 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnc(C4CC4)s3)C2)C1 ZINC001073140245 790481272 /nfs/dbraw/zinc/48/12/72/790481272.db2.gz BAQZKGPMHSWSSW-UHFFFAOYSA-N 0 3 303.431 2.354 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCO[C@H]1C1CCN(C(C)=O)CC1 ZINC001075399080 776920956 /nfs/dbraw/zinc/92/09/56/776920956.db2.gz BMDLVVZWGOZEBF-CABCVRRESA-N 0 3 300.830 2.135 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc(F)c1F ZINC001167349883 776939102 /nfs/dbraw/zinc/93/91/02/776939102.db2.gz JZGRLBRIEDUMGP-UHFFFAOYSA-N 0 3 302.752 2.356 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H]3CC34CCC4)[C@H]2C1 ZINC001083208210 776974994 /nfs/dbraw/zinc/97/49/94/776974994.db2.gz IETIKCIGAJLUMD-HRCADAONSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)COc2cccnc2)CC1 ZINC001167460505 777104455 /nfs/dbraw/zinc/10/44/55/777104455.db2.gz DUMOMSWNCBIKND-UHFFFAOYSA-N 0 3 323.824 2.089 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C#C)cc1Cl ZINC000933345076 777132649 /nfs/dbraw/zinc/13/26/49/777132649.db2.gz JJPAJYKDCPCTFY-UHFFFAOYSA-N 0 3 303.793 2.398 20 30 DEEDHN C#Cc1ccc(NC(=O)N2CC[C@H]3CN(C)C[C@@H]32)c(Cl)c1 ZINC000933345063 777132803 /nfs/dbraw/zinc/13/28/03/777132803.db2.gz JHAZJYLJSOAXBG-WFASDCNBSA-N 0 3 303.793 2.489 20 30 DEEDHN C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNCc2ccns2)C1 ZINC001087164672 777156893 /nfs/dbraw/zinc/15/68/93/777156893.db2.gz JVKCZYNDVGSQDE-HIFRSBDPSA-N 0 3 317.458 2.273 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1c1ccccc1 ZINC001211540391 777309123 /nfs/dbraw/zinc/30/91/23/777309123.db2.gz RKXJLKKGZITXDH-BPQIPLTHSA-N 0 3 314.429 2.019 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100596862 777385179 /nfs/dbraw/zinc/38/51/79/777385179.db2.gz GQQWYNVBFOGLHY-IYXRBSQSSA-N 0 3 322.478 2.433 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCc2cnccn2)CC1 ZINC001167651818 777426527 /nfs/dbraw/zinc/42/65/27/777426527.db2.gz AIHNASLDTBBCMH-UHFFFAOYSA-N 0 3 322.840 2.038 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3ccc(F)cc3C)[C@H]2C1 ZINC001083254222 777429918 /nfs/dbraw/zinc/42/99/18/777429918.db2.gz HNJWOVVPLFQBMX-DLBZAZTESA-N 0 3 318.392 2.235 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001167670265 777500289 /nfs/dbraw/zinc/50/02/89/777500289.db2.gz ZNIFUIQMMMNTEU-XJKSGUPXSA-N 0 3 312.841 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001090791145 790544578 /nfs/dbraw/zinc/54/45/78/790544578.db2.gz QPGZUGLSOKDARQ-KGLIPLIRSA-N 0 3 308.447 2.106 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)o3)C(C)(C)[C@H]21 ZINC001087271195 777676563 /nfs/dbraw/zinc/67/65/63/777676563.db2.gz NPRNYBHTDVGSIG-BMFZPTHFSA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cnccc3C)C(C)(C)[C@@H]21 ZINC001087280178 777707269 /nfs/dbraw/zinc/70/72/69/777707269.db2.gz LDEPXIJGCLQNQY-DJIMGWMZSA-N 0 3 311.429 2.242 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(OC)no3)C(C)(C)[C@H]21 ZINC001087281927 777715202 /nfs/dbraw/zinc/71/52/02/777715202.db2.gz OKPUMCJVLBQDIV-DFBGVHRSSA-N 0 3 319.405 2.088 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(C)[nH]c3C)C(C)(C)[C@H]21 ZINC001087305931 777759494 /nfs/dbraw/zinc/75/94/94/777759494.db2.gz AOJCJIFVZIQTBX-PVAVHDDUSA-N 0 3 313.445 2.484 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@H](O)C1 ZINC001090821021 790570227 /nfs/dbraw/zinc/57/02/27/790570227.db2.gz XDWXJLIDGDMQST-HZPDHXFCSA-N 0 3 320.408 2.184 20 30 DEEDHN COc1nc(C)c(-n2nc(CN)c3ccccc32)c(C)c1C#N ZINC001167697974 777890591 /nfs/dbraw/zinc/89/05/91/777890591.db2.gz QIVZKZVIRYHFKL-UHFFFAOYSA-N 0 3 307.357 2.376 20 30 DEEDHN C=C[C@H](C(=O)N1CCO[C@@H]2CN(C(C)C)C[C@@H]21)c1ccccc1 ZINC001083282407 778063338 /nfs/dbraw/zinc/06/33/38/778063338.db2.gz BGUFTXMXIMEQHM-OKZBNKHCSA-N 0 3 314.429 2.276 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C[C@H](C)C3CC3)[C@H]2C1 ZINC001083285518 778093024 /nfs/dbraw/zinc/09/30/24/778093024.db2.gz UFALPGMITADMJX-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1C(F)(F)F ZINC001112071942 778300253 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ZINC001211764890 778848774 /nfs/dbraw/zinc/84/87/74/778848774.db2.gz UGGRNPUFQPUXPV-IAGOWNOFSA-N 0 3 319.449 2.481 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2occc2C)[C@H](OC)C1 ZINC001211844731 779086300 /nfs/dbraw/zinc/08/63/00/779086300.db2.gz JINANHXRPIYPEE-RRFJBIMHSA-N 0 3 306.406 2.372 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CCC)OCC)C[C@H]1C(F)(F)F ZINC001112149924 779175470 /nfs/dbraw/zinc/17/54/70/779175470.db2.gz YWVGKJRKEKDVSX-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnc(C(C)(C)C)nc3)C2)C1 ZINC001073489129 790688462 /nfs/dbraw/zinc/68/84/62/790688462.db2.gz NROYTDQJEKDRII-UHFFFAOYSA-N 0 3 314.433 2.108 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(OC(C)C)cn2)[C@H]1CC ZINC001087571215 779355258 /nfs/dbraw/zinc/35/52/58/779355258.db2.gz INJZXNXVMYMVQB-DZGCQCFKSA-N 0 3 318.421 2.033 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2C2CC2)[C@H]1CC ZINC001087588366 779366006 /nfs/dbraw/zinc/36/60/06/779366006.db2.gz OZWOUMUHKKPAAB-JKSUJKDBSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)[C@H]1CC ZINC001087623205 779382856 /nfs/dbraw/zinc/38/28/56/779382856.db2.gz UVMRFSPANOCIAX-OFQRWUPVSA-N 0 3 316.449 2.234 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C)c2Cl)[C@H]1CC ZINC001087626011 779384722 /nfs/dbraw/zinc/38/47/22/779384722.db2.gz FKRTWFLNEDYUOZ-QWHCGFSZSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)[C@H]1CC ZINC001087632735 779387297 /nfs/dbraw/zinc/38/72/97/779387297.db2.gz UFZXWCAUIPRAIQ-DZGCQCFKSA-N 0 3 318.421 2.050 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@H]1CC ZINC001087637735 779389499 /nfs/dbraw/zinc/38/94/99/779389499.db2.gz HXAMPDNULGOQEL-LSDHHAIUSA-N 0 3 302.422 2.057 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(OCC)cc2)[C@H]1CC ZINC001087819686 779467848 /nfs/dbraw/zinc/46/78/48/779467848.db2.gz LSIQCEUKMPOKEP-ZWKOTPCHSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)[C@H]1CC ZINC001087829702 779473649 /nfs/dbraw/zinc/47/36/49/779473649.db2.gz RPJINXGQZFTHGM-LSDHHAIUSA-N 0 3 313.405 2.035 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)[C@H]1CC ZINC001087854143 779488056 /nfs/dbraw/zinc/48/80/56/779488056.db2.gz VFVLTCGGVPQVPG-GVDBMIGSSA-N 0 3 314.429 2.454 20 30 DEEDHN C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001087890623 779522206 /nfs/dbraw/zinc/52/22/06/779522206.db2.gz PSHMAIBALHONAG-CABCVRRESA-N 0 3 300.402 2.362 20 30 DEEDHN C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001087890623 779522213 /nfs/dbraw/zinc/52/22/13/779522213.db2.gz PSHMAIBALHONAG-CABCVRRESA-N 0 3 300.402 2.362 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC(F)(F)C(F)F)C[C@]2(C)C1 ZINC001101365633 779546963 /nfs/dbraw/zinc/54/69/63/779546963.db2.gz BEBKPUPIITXKKQ-RISCZKNCSA-N 0 3 320.330 2.081 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001073560260 790721220 /nfs/dbraw/zinc/72/12/20/790721220.db2.gz IAEGFIOUZVFVSS-OAHLLOKOSA-N 0 3 306.406 2.293 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(F)ccc(C)c3F)C[C@@H]2C1 ZINC001088092569 779694597 /nfs/dbraw/zinc/69/45/97/779694597.db2.gz LMQHKLLPFQRCBJ-KGLIPLIRSA-N 0 3 318.367 2.300 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ncsc3C3CC3)C[C@@H]2C1 ZINC001088104892 779704468 /nfs/dbraw/zinc/70/44/68/779704468.db2.gz HAKZCPVDOIQGHX-KGLIPLIRSA-N 0 3 315.442 2.048 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3oc(C(C)C)nc3C)C[C@@H]2C1 ZINC001088134046 779719835 /nfs/dbraw/zinc/71/98/35/779719835.db2.gz OHGIBGYDLIOFFZ-CABCVRRESA-N 0 3 315.417 2.134 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C(F)F)o3)C[C@@H]2C1 ZINC001088186272 779764274 /nfs/dbraw/zinc/76/42/74/779764274.db2.gz QKSSOQFSOZJMBP-NEPJUHHUSA-N 0 3 308.328 2.244 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(Cl)cn3CC)C[C@@H]2C1 ZINC001088203005 779770815 /nfs/dbraw/zinc/77/08/15/779770815.db2.gz HDTAQEYBGMCTQC-KGLIPLIRSA-N 0 3 319.836 2.189 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(F)c(C)c3)C[C@@H]2C1 ZINC001088204804 779772723 /nfs/dbraw/zinc/77/27/23/779772723.db2.gz OAWHDSOXDXZFOG-WBVHZDCISA-N 0 3 314.404 2.470 20 30 DEEDHN CC1(C)CC(C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001126601236 779825070 /nfs/dbraw/zinc/82/50/70/779825070.db2.gz BSOMLKUHIWRTER-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@H](NCc2cncc(F)c2)C1 ZINC001088281321 779903420 /nfs/dbraw/zinc/90/34/20/779903420.db2.gz LFFDZFJOOXJNEB-BBRMVZONSA-N 0 3 318.396 2.241 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCc2cnn(C)c2)C1 ZINC001088360179 780027043 /nfs/dbraw/zinc/02/70/43/780027043.db2.gz SHGAUBXNYZOLGG-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN N#Cc1ccc(CN2CC3(C2)CCN(Cc2cccnc2)C3)nc1 ZINC001144157646 790782291 /nfs/dbraw/zinc/78/22/91/790782291.db2.gz RNMQCSIIWXVMNR-UHFFFAOYSA-N 0 3 319.412 2.056 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ncc(C)cc3OC)[C@@H]2C1 ZINC001075892014 780422442 /nfs/dbraw/zinc/42/24/42/780422442.db2.gz AXFGWIUDOBVBES-LSDHHAIUSA-N 0 3 315.417 2.121 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3n[nH]c(CC)c3Cl)[C@@H]2C1 ZINC001075895377 780443826 /nfs/dbraw/zinc/44/38/26/780443826.db2.gz HQLLAGWRPTZXED-WCQYABFASA-N 0 3 322.840 2.348 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3c(=O)o2)[C@H]1C ZINC001088594321 780563123 /nfs/dbraw/zinc/56/31/23/780563123.db2.gz CDTPLYRHYYYNHI-CJNGLKHVSA-N 0 3 324.380 2.009 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2C(F)F)[C@H]1C ZINC001088627614 780665880 /nfs/dbraw/zinc/66/58/80/780665880.db2.gz WLYZIJGSDFCJGX-PWSUYJOCSA-N 0 3 312.364 2.126 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnoc2-c2ccco2)[C@H]1C ZINC001088676167 780705319 /nfs/dbraw/zinc/70/53/19/780705319.db2.gz UUKLUJSPFHIOHO-OCCSQVGLSA-N 0 3 313.357 2.151 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)Cc1ccco1)C[C@H](C)O2 ZINC001098649730 780709030 /nfs/dbraw/zinc/70/90/30/780709030.db2.gz CLLRJQHPHOBOBD-HNNXBMFYSA-N 0 3 318.417 2.090 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2occc2C(C)C)C1 ZINC001073741051 790834494 /nfs/dbraw/zinc/83/44/94/790834494.db2.gz 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ZINC001076323586 781217003 /nfs/dbraw/zinc/21/70/03/781217003.db2.gz YPNOBDMUVXZBCC-JKSUJKDBSA-N 0 3 316.449 2.115 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@@H](F)Cc3ccccc3)[C@@H]2C1 ZINC001076599420 781323100 /nfs/dbraw/zinc/32/31/00/781323100.db2.gz OPUFVNCNVJEPFL-OKZBNKHCSA-N 0 3 314.404 2.123 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001077194892 781513242 /nfs/dbraw/zinc/51/32/42/781513242.db2.gz ZUJQOSHDTBJXRC-IAGOWNOFSA-N 0 3 316.445 2.335 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001077355658 781552688 /nfs/dbraw/zinc/55/26/88/781552688.db2.gz LKFAYCJWFJIBFT-HUUCEWRRSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(CCCC)cc2)[C@@H](O)C1 ZINC001083620760 781641432 /nfs/dbraw/zinc/64/14/32/781641432.db2.gz CZJVZJABXDKEQK-MSOLQXFVSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CNCc2nnc(C(C)C)[nH]2)[C@H](C)C1 ZINC001105927011 781870396 /nfs/dbraw/zinc/87/03/96/781870396.db2.gz SMHIJPIHYSIKGU-ZIAGYGMSSA-N 0 3 319.453 2.078 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-n3cccc3)nc2)C[C@@H]1C ZINC000947814149 783236560 /nfs/dbraw/zinc/23/65/60/783236560.db2.gz JFVDHUDLWBRVLV-DOTOQJQBSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000947810745 783237785 /nfs/dbraw/zinc/23/77/85/783237785.db2.gz PHGWNQRMRWHSKL-DOTOQJQBSA-N 0 3 322.412 2.088 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001091132418 790925314 /nfs/dbraw/zinc/92/53/14/790925314.db2.gz CFRXNOAFQIASSS-UHFFFAOYSA-N 0 3 324.808 2.107 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212251122 783242973 /nfs/dbraw/zinc/24/29/73/783242973.db2.gz QDLPIJZLUYXZOW-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C[C@H]1C ZINC000947879130 783255503 /nfs/dbraw/zinc/25/55/03/783255503.db2.gz WMLXORDSKFJLOI-NVXWUHKLSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C[C@@H]1C ZINC000947879128 783256249 /nfs/dbraw/zinc/25/62/49/783256249.db2.gz WMLXORDSKFJLOI-DOTOQJQBSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C[C@H]1C ZINC000947967422 783279320 /nfs/dbraw/zinc/27/93/20/783279320.db2.gz OUEVSBPOIHCJES-GDBMZVCRSA-N 0 3 309.413 2.313 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001089619854 783287216 /nfs/dbraw/zinc/28/72/16/783287216.db2.gz WXAUSQBDXPLJLH-OAHLLOKOSA-N 0 3 317.408 2.464 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3ncccc23)C[C@@H]1C ZINC000948040788 783300941 /nfs/dbraw/zinc/30/09/41/783300941.db2.gz SQNGXYMEFKEONI-UONOGXRCSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001089639013 783307886 /nfs/dbraw/zinc/30/78/86/783307886.db2.gz LDXPIPCMGHMNSY-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1conc1C ZINC001089689096 783357183 /nfs/dbraw/zinc/35/71/83/783357183.db2.gz AGQJBEBDEDRRKQ-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001089699657 783364952 /nfs/dbraw/zinc/36/49/52/783364952.db2.gz OBVRTTVFVQGDTB-OWCLPIDISA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@@H]2CCC(C)(C)CN2CC)nn1 ZINC001089707769 783371147 /nfs/dbraw/zinc/37/11/47/783371147.db2.gz SMUGJOQULMEEJF-AWEZNQCLSA-N 0 3 319.453 2.095 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)noc2CCC)CC1 ZINC000948361596 783438139 /nfs/dbraw/zinc/43/81/39/783438139.db2.gz JQTSSNMOMGVFJB-HNNXBMFYSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccnn2C(C)C)CC1 ZINC000948409372 783455668 /nfs/dbraw/zinc/45/56/68/783455668.db2.gz ZWBWPXRBSSALQW-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2sccc2CC)C1 ZINC001073901879 790947220 /nfs/dbraw/zinc/94/72/20/790947220.db2.gz ILBJCDDFFRFNQW-OAHLLOKOSA-N 0 3 320.458 2.155 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cccn3nccc23)CC1 ZINC000948587418 783514394 /nfs/dbraw/zinc/51/43/94/783514394.db2.gz ZNNGBQUGQIZEPW-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC000948613006 783529219 /nfs/dbraw/zinc/52/92/19/783529219.db2.gz UGWBXZMEQDYHKI-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2sc(C)nc2C)CC1 ZINC000948627739 783537741 /nfs/dbraw/zinc/53/77/41/783537741.db2.gz CQOVDQLIVGZJOC-OAHLLOKOSA-N 0 3 319.474 2.249 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000948665487 783557307 /nfs/dbraw/zinc/55/73/07/783557307.db2.gz LGQARLMLAVFZTR-INIZCTEOSA-N 0 3 316.449 2.312 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)CC1 ZINC001066225366 783571380 /nfs/dbraw/zinc/57/13/80/783571380.db2.gz BUKIGDIKPAVQFJ-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC000966134681 783576714 /nfs/dbraw/zinc/57/67/14/783576714.db2.gz RKGXWIOSYLYRNL-GOEBONIOSA-N 0 3 316.449 2.072 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001091162346 790955142 /nfs/dbraw/zinc/95/51/42/790955142.db2.gz KEWBPQGMVWSSOH-UHFFFAOYSA-N 0 3 310.829 2.315 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NCc2cncn2C)C1 ZINC001085324967 783640710 /nfs/dbraw/zinc/64/07/10/783640710.db2.gz SBRMPUFNUPQQFM-HZPDHXFCSA-N 0 3 316.449 2.293 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC000966917621 783821109 /nfs/dbraw/zinc/82/11/09/783821109.db2.gz VCDSQYGQSQXACU-WBMJQRKESA-N 0 3 319.474 2.152 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC000967063519 783874482 /nfs/dbraw/zinc/87/44/82/783874482.db2.gz RUQIWNXSWOQDDJ-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085625426 783900338 /nfs/dbraw/zinc/90/03/38/783900338.db2.gz PBJQPPLLKGPPTL-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC000967211774 783906955 /nfs/dbraw/zinc/90/69/55/783906955.db2.gz YHPNTIJKQJPMQO-MAUKXSAKSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC000967269151 783919150 /nfs/dbraw/zinc/91/91/50/783919150.db2.gz SLVJNMYAFRAUMH-CRAIPNDOSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339581 783957986 /nfs/dbraw/zinc/95/79/86/783957986.db2.gz SWADSTZGBORSST-UGSOOPFHSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C1CCC1 ZINC001085679398 783958214 /nfs/dbraw/zinc/95/82/14/783958214.db2.gz IEBOUHNAEIEOAY-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC=C(C)C)C[C@@H]2O)CCC1 ZINC001099989978 783964476 /nfs/dbraw/zinc/96/44/76/783964476.db2.gz WLAJIASCMBBPFP-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2cncn2c1C ZINC001085686660 783965788 /nfs/dbraw/zinc/96/57/88/783965788.db2.gz YZFRBPQZJOELQJ-MRXNPFEDSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108204947 783988590 /nfs/dbraw/zinc/98/85/90/783988590.db2.gz 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/nfs/dbraw/zinc/17/09/10/784170910.db2.gz XMJFKZKUDOSJNZ-AEFFLSMTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(CC)c[nH]c1=O ZINC001085899017 784190346 /nfs/dbraw/zinc/19/03/46/784190346.db2.gz SHXOQGCEBJQQEA-AWEZNQCLSA-N 0 3 303.406 2.072 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](NCc2ccccc2OC2CC2)C1 ZINC000967976143 784193191 /nfs/dbraw/zinc/19/31/91/784193191.db2.gz SUCFFFIBBHYYSG-DZGCQCFKSA-N 0 3 313.401 2.078 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914621 784203789 /nfs/dbraw/zinc/20/37/89/784203789.db2.gz FISWDGHVRQTSIX-INIZCTEOSA-N 0 3 302.422 2.016 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001085922705 784222537 /nfs/dbraw/zinc/22/25/37/784222537.db2.gz IOBBIBXSMYULDQ-GDBMZVCRSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001085946673 784240616 /nfs/dbraw/zinc/24/06/16/784240616.db2.gz PAWFJHUSUHSGGR-SJORKVTESA-N 0 3 313.445 2.295 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(=O)[nH]c1C ZINC001085980112 784279260 /nfs/dbraw/zinc/27/92/60/784279260.db2.gz JLEWIPAHWQOPLN-AWEZNQCLSA-N 0 3 303.406 2.126 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340619 784303314 /nfs/dbraw/zinc/30/33/14/784303314.db2.gz RXIFCFKPSXSZCI-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)C3CCC3)C2)c(F)c1 ZINC001086010523 784312349 /nfs/dbraw/zinc/31/23/49/784312349.db2.gz HMQDURNODREFEN-AKAXFMLLSA-N 0 3 315.392 2.482 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)C3CC3)C2)c(F)c1 ZINC001086009501 784314691 /nfs/dbraw/zinc/31/46/91/784314691.db2.gz KEDPVGIKROERCU-JNSHFYNHSA-N 0 3 301.365 2.092 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391697 784350355 /nfs/dbraw/zinc/35/03/55/784350355.db2.gz TYSRCPHIGHPJJG-CJNGLKHVSA-N 0 3 304.459 2.449 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000968428956 784380938 /nfs/dbraw/zinc/38/09/38/784380938.db2.gz 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C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001086242763 784516073 /nfs/dbraw/zinc/51/60/73/784516073.db2.gz BLVVJZXTRXCTTQ-KLPPZKSPSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC001086351770 784613013 /nfs/dbraw/zinc/61/30/13/784613013.db2.gz UVIHGSZEXMDCNP-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C1CC(OCC)C1 ZINC000968841144 784615981 /nfs/dbraw/zinc/61/59/81/784615981.db2.gz ZYDWKXMYMHZNTF-CGZBRXJRSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000968857144 784621381 /nfs/dbraw/zinc/62/13/81/784621381.db2.gz UPYRCZRUMHNJDT-CABCVRRESA-N 0 3 316.449 2.376 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000968882566 784636426 /nfs/dbraw/zinc/63/64/26/784636426.db2.gz QHLQRXUFAQXLRU-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC001086384923 784640787 /nfs/dbraw/zinc/64/07/87/784640787.db2.gz 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/nfs/dbraw/zinc/91/02/62/784910262.db2.gz OPQFIYJXAWSKMJ-KBUPBQIOSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001007699924 784979210 /nfs/dbraw/zinc/97/92/10/784979210.db2.gz QSLSINBMEKCHNR-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001007831748 785021360 /nfs/dbraw/zinc/02/13/60/785021360.db2.gz KELZPIBEFCQTNV-QGZVFWFLSA-N 0 3 314.429 2.150 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001008084349 785101421 /nfs/dbraw/zinc/10/14/21/785101421.db2.gz ABCGGXMDYAEUPY-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001008339674 785177749 /nfs/dbraw/zinc/17/77/49/785177749.db2.gz LDRKUTGAHYLLOO-INIZCTEOSA-N 0 3 309.413 2.396 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008893756 785326764 /nfs/dbraw/zinc/32/67/64/785326764.db2.gz NBXYSQFGKFZPEI-OAHLLOKOSA-N 0 3 309.413 2.396 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001009296497 785425345 /nfs/dbraw/zinc/42/53/45/785425345.db2.gz TWXDABMGZQVHIL-IRXDYDNUSA-N 0 3 318.461 2.330 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001009576904 785485155 /nfs/dbraw/zinc/48/51/55/785485155.db2.gz IQPHACDDCAXBRD-QGZVFWFLSA-N 0 3 309.413 2.245 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001109071071 785691211 /nfs/dbraw/zinc/69/12/11/785691211.db2.gz QSFIESFTZGRZPZ-KBMXLJTQSA-N 0 3 320.458 2.215 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H](C2CCOCC2)C1 ZINC001333748858 1150086634 /nfs/dbraw/zinc/08/66/34/1150086634.db2.gz FNVZFJDRLNTMKY-DLBZAZTESA-N 0 3 321.465 2.453 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCC3)C2 ZINC001109764966 786019012 /nfs/dbraw/zinc/01/90/12/786019012.db2.gz NLUJBDZSYCWATM-UGUYLWEFSA-N 0 3 304.434 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001086548785 786195821 /nfs/dbraw/zinc/19/58/21/786195821.db2.gz CVGIXJGAKXIWDB-HDJSIYSDSA-N 0 3 309.841 2.492 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112814425 786234587 /nfs/dbraw/zinc/23/45/87/786234587.db2.gz POHXJLHWFZCOMV-SFHVURJKSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccncc2C)CC1 ZINC001112856204 786259308 /nfs/dbraw/zinc/25/93/08/786259308.db2.gz FYLHHQOYNJHCOR-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001086567555 786321746 /nfs/dbraw/zinc/32/17/46/786321746.db2.gz NEDPHFGUEJKMDO-MGPQQGTHSA-N 0 3 312.841 2.040 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001112961912 786329844 /nfs/dbraw/zinc/32/98/44/786329844.db2.gz VTHZDBMFGRYVCE-UHFFFAOYSA-N 0 3 307.482 2.361 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001086574910 786390089 /nfs/dbraw/zinc/39/00/89/786390089.db2.gz NQRWUEAQIYLLNH-FUHWJXTLSA-N 0 3 307.397 2.236 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001113111415 786403994 /nfs/dbraw/zinc/40/39/94/786403994.db2.gz XUJFDCPKNWPKQT-CQSZACIVSA-N 0 3 317.433 2.462 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ncccc2OC)CC1 ZINC001113259862 786479966 /nfs/dbraw/zinc/47/99/66/786479966.db2.gz OHEQWDKSYYGAPU-OAHLLOKOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCCCN1CCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC001113256385 786483864 /nfs/dbraw/zinc/48/38/64/786483864.db2.gz DYBVNZNWTVZWMP-HOCLYGCPSA-N 0 3 316.449 2.186 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001014610816 786660754 /nfs/dbraw/zinc/66/07/54/786660754.db2.gz MLTIXMUMOGPVAS-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001014672342 786694511 /nfs/dbraw/zinc/69/45/11/786694511.db2.gz IELFFGVSUIRPQU-SJLPKXTDSA-N 0 3 313.445 2.422 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001113634690 786736026 /nfs/dbraw/zinc/73/60/26/786736026.db2.gz QTDCVFIURUYGBW-UHFFFAOYSA-N 0 3 304.438 2.082 20 30 DEEDHN C=CCCCN1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001113724154 786779276 /nfs/dbraw/zinc/77/92/76/786779276.db2.gz LVNBVKXCGMZYHS-UHFFFAOYSA-N 0 3 315.461 2.229 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001113723510 786779772 /nfs/dbraw/zinc/77/97/72/786779772.db2.gz XPAQZJAPAJDOIE-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC001113734414 786787053 /nfs/dbraw/zinc/78/70/53/786787053.db2.gz JKSODHJKTYJRJP-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001015033560 786870404 /nfs/dbraw/zinc/87/04/04/786870404.db2.gz RCWLOOOVORKPAU-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN CC[C@@H]1C[C@H](N2CCN(c3cc(C#N)ccn3)CC2)CCO1 ZINC001170227073 786872808 /nfs/dbraw/zinc/87/28/08/786872808.db2.gz MCKLJVROWQZXOS-HZPDHXFCSA-N 0 3 300.406 2.033 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015274054 786970900 /nfs/dbraw/zinc/97/09/00/786970900.db2.gz KXIVQKBAKWHWTM-STQMWFEESA-N 0 3 306.356 2.282 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015274051 786970920 /nfs/dbraw/zinc/97/09/20/786970920.db2.gz KXIVQKBAKWHWTM-CHWSQXEVSA-N 0 3 306.356 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c(Br)c2)C1 ZINC001015305347 786993552 /nfs/dbraw/zinc/99/35/52/786993552.db2.gz YWCVNYKQJCBQFH-LLVKDONJSA-N 0 3 312.211 2.157 20 30 DEEDHN Cc1nc(NCC#Cc2ccccc2)cc(N2CCOCC2)n1 ZINC001170424189 787010795 /nfs/dbraw/zinc/01/07/95/787010795.db2.gz UFMAHGILYXXYKP-UHFFFAOYSA-N 0 3 308.385 2.085 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2-n2cccc2)C1 ZINC001015454301 787059854 /nfs/dbraw/zinc/05/98/54/787059854.db2.gz BVKAEYCGZIILCU-AWEZNQCLSA-N 0 3 313.426 2.366 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3C(NC(=O)/C=C\C4CC4)[C@@H]3C2)cc1 ZINC001114117634 787106326 /nfs/dbraw/zinc/10/63/26/787106326.db2.gz QRYNCGMAAUTJNQ-QQFIRRJQSA-N 0 3 307.397 2.071 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001086617168 787134075 /nfs/dbraw/zinc/13/40/75/787134075.db2.gz QFXOYMIRKVNYLN-DLBZAZTESA-N 0 3 324.428 2.113 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001015625642 787145802 /nfs/dbraw/zinc/14/58/02/787145802.db2.gz PHNLOWIRETVQSO-QGZVFWFLSA-N 0 3 311.429 2.107 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@H](C)C2CCC2)cc1C#N ZINC001130131346 787292168 /nfs/dbraw/zinc/29/21/68/787292168.db2.gz JJAUHYGXQBHLEL-ZDUSSCGKSA-N 0 3 315.417 2.209 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CSCCC)C1 ZINC001130351174 787356044 /nfs/dbraw/zinc/35/60/44/787356044.db2.gz GJCSAHRVNQMOFB-CYBMUJFWSA-N 0 3 322.478 2.144 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@H](C)SC)C1 ZINC001130381209 787366182 /nfs/dbraw/zinc/36/61/82/787366182.db2.gz SLGKWTICAXYKIA-STQMWFEESA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCC2CC2)C1 ZINC001130365474 787366582 /nfs/dbraw/zinc/36/65/82/787366582.db2.gz UXVZFFUHILMULU-CQSZACIVSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130542256 787420127 /nfs/dbraw/zinc/42/01/27/787420127.db2.gz VBRKJDBCCJLCTC-HJYQMELSSA-N 0 3 316.449 2.092 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001096035784 787460844 /nfs/dbraw/zinc/46/08/44/787460844.db2.gz SKLHWWFHOTYLIO-NRKLIOEPSA-N 0 3 304.434 2.265 20 30 DEEDHN COCC#CCNCCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC001131001215 787522290 /nfs/dbraw/zinc/52/22/90/787522290.db2.gz SMGHGWPMWYAITL-UHFFFAOYSA-N 0 3 320.776 2.055 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(C1)CCOCC3)C2 ZINC001096343025 787622948 /nfs/dbraw/zinc/62/29/48/787622948.db2.gz KRIWCRUCXPSKBM-IKGGRYGDSA-N 0 3 318.461 2.491 20 30 DEEDHN C[C@H](CC(F)F)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001131450417 787624866 /nfs/dbraw/zinc/62/48/66/787624866.db2.gz WONLCJMDOPPHDC-SNVBAGLBSA-N 0 3 313.323 2.194 20 30 DEEDHN C[C@H](Nc1ccc2cc(C#N)c(C#N)cc2c1)[C@H]1CNCCO1 ZINC001170568706 787647738 /nfs/dbraw/zinc/64/77/38/787647738.db2.gz HDQRQLDUKNJSGW-KPZWWZAWSA-N 0 3 306.369 2.372 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CC(F)(F)F)CC[C@H]1C ZINC001131891061 787786496 /nfs/dbraw/zinc/78/64/96/787786496.db2.gz DJWKELVOLQEANN-NEPJUHHUSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCc2ccoc2)CC[C@@H]1C ZINC001131965010 787855896 /nfs/dbraw/zinc/85/58/96/787855896.db2.gz OBCFFRZVSKXKJZ-RDJZCZTQSA-N 0 3 320.433 2.384 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132003792 787878874 /nfs/dbraw/zinc/87/88/74/787878874.db2.gz ZQAYFLWTULYYAO-HOTGVXAUSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CCc2ccnn2C)C1 ZINC001132072938 787917228 /nfs/dbraw/zinc/91/72/28/787917228.db2.gz RSZLEMSFJZKUGK-HOTGVXAUSA-N 0 3 318.465 2.288 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132073805 787917439 /nfs/dbraw/zinc/91/74/39/787917439.db2.gz YFEDRULZYYUEMH-CVEARBPZSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)c1ccccc1 ZINC001111441518 787939203 /nfs/dbraw/zinc/93/92/03/787939203.db2.gz RECNXPMENNSMEF-HPBDAGMYSA-N 0 3 314.429 2.060 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2cncc(C)c2)CC[C@@H]1C ZINC001132168401 787950275 /nfs/dbraw/zinc/95/02/75/787950275.db2.gz CBWIJYXPIINEHG-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2cncc(OC)c2)CC[C@H]1C ZINC001132164803 787954304 /nfs/dbraw/zinc/95/43/04/787954304.db2.gz JZOQFIRRFYQFTE-ZBFHGGJFSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001097226852 788027523 /nfs/dbraw/zinc/02/75/23/788027523.db2.gz YRLXUVXCVNUSLK-FPCVCCKLSA-N 0 3 317.433 2.044 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cnn3ccccc13)C2 ZINC001097243597 788034801 /nfs/dbraw/zinc/03/48/01/788034801.db2.gz UHZWESVVHUQKLX-NUJGCVRESA-N 0 3 324.428 2.174 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC001132398645 788057589 /nfs/dbraw/zinc/05/75/89/788057589.db2.gz IJLWIXAYFGQRPJ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(F)cc1F)C2 ZINC001097344728 788066954 /nfs/dbraw/zinc/06/69/54/788066954.db2.gz GZYKXUTZUDDLFP-BNOWGMLFSA-N 0 3 307.344 2.271 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccccc2)CC[C@@H]1C ZINC001132452058 788084063 /nfs/dbraw/zinc/08/40/63/788084063.db2.gz AIKTVDHIXYZROC-HOTGVXAUSA-N 0 3 300.402 2.058 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCCCNC(C)=O)CC[C@@H]1C ZINC001132472535 788090997 /nfs/dbraw/zinc/09/09/97/788090997.db2.gz IKIBMNVXEPRXRO-DOTOQJQBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2c(C)n[nH]c2C)CC[C@H]1C ZINC001132481555 788096956 /nfs/dbraw/zinc/09/69/56/788096956.db2.gz HJBZXXVBRQDTIY-DOMZBBRYSA-N 0 3 304.438 2.114 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCn2ccnc2)CC[C@H]1C ZINC001132546541 788121351 /nfs/dbraw/zinc/12/13/51/788121351.db2.gz NSRXOBLZBUXAFX-CVEARBPZSA-N 0 3 304.438 2.209 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2CC3(CCC3)C2)ccc1F ZINC001132587361 788139503 /nfs/dbraw/zinc/13/95/03/788139503.db2.gz BPEJESXPQPEHOO-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CCCC1CC1 ZINC001132620594 788144005 /nfs/dbraw/zinc/14/40/05/788144005.db2.gz PUGCIHPJKJAGNU-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CCC[C@H](OCC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001132625487 788149867 /nfs/dbraw/zinc/14/98/67/788149867.db2.gz AVSDMDMUVULPDG-AWEZNQCLSA-N 0 3 309.435 2.031 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001132667102 788159919 /nfs/dbraw/zinc/15/99/19/788159919.db2.gz CRTWOTXNKGSLEM-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCN[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001132670940 788162146 /nfs/dbraw/zinc/16/21/46/788162146.db2.gz HEAJXKFSEPGNLG-JKSUJKDBSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@H](CNCc2ccn(CC)n2)C1 ZINC001132700301 788173130 /nfs/dbraw/zinc/17/31/30/788173130.db2.gz FNZAKKCWCGUDRO-JKSUJKDBSA-N 0 3 318.465 2.443 20 30 DEEDHN Cc1ncoc1CNCCCC[C@@H](C)NC(=O)C#CC(C)C ZINC001170649109 788275245 /nfs/dbraw/zinc/27/52/45/788275245.db2.gz SKFXIAUGKDZDGN-CQSZACIVSA-N 0 3 305.422 2.407 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2Cc3ccccc32)cc1F ZINC001133125939 788289902 /nfs/dbraw/zinc/28/99/02/788289902.db2.gz ZKFNCIJXYDRAEH-QGZVFWFLSA-N 0 3 323.371 2.243 20 30 DEEDHN C=C1CCC(C(=O)NCCNCC(=O)N(C(C)C)C(C)C)CC1 ZINC001133362385 788385307 /nfs/dbraw/zinc/38/53/07/788385307.db2.gz CZPBWLHNAHDJEJ-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)c1ccon1 ZINC001133385409 788396570 /nfs/dbraw/zinc/39/65/70/788396570.db2.gz LIDHHZPRXYGBAR-UHFFFAOYSA-N 0 3 317.776 2.193 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001133537391 788474138 /nfs/dbraw/zinc/47/41/38/788474138.db2.gz SAKBWCFAWAEJGW-GDBMZVCRSA-N 0 3 315.417 2.209 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2conc2C2CC2)s1 ZINC001133673431 788552688 /nfs/dbraw/zinc/55/26/88/788552688.db2.gz GXTYTKVRBQEHOZ-UHFFFAOYSA-N 0 3 316.386 2.005 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)COC(C)C ZINC001133853039 788634151 /nfs/dbraw/zinc/63/41/51/788634151.db2.gz KUFYEDQAZBLQEK-RYUDHWBXSA-N 0 3 321.259 2.193 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)COC(C)C ZINC001133853041 788634767 /nfs/dbraw/zinc/63/47/67/788634767.db2.gz KUFYEDQAZBLQEK-VXGBXAGGSA-N 0 3 321.259 2.193 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001134206561 788800681 /nfs/dbraw/zinc/80/06/81/788800681.db2.gz WNBVARXUIHZWSI-CABCVRRESA-N 0 3 304.438 2.079 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134342114 788868916 /nfs/dbraw/zinc/86/89/16/788868916.db2.gz YWHCQASFHMIHDA-QWHCGFSZSA-N 0 3 315.255 2.427 20 30 DEEDHN Cc1cnc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)s1 ZINC001134321186 788870374 /nfs/dbraw/zinc/87/03/74/788870374.db2.gz FHCCVEVLDPNICB-RYUDHWBXSA-N 0 3 305.447 2.238 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)C#CC1CC1)NCc1nccn1C(F)F ZINC001134326712 788872370 /nfs/dbraw/zinc/87/23/70/788872370.db2.gz VAYJPHCEBOSUEY-NEPJUHHUSA-N 0 3 324.375 2.065 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001134352955 788881329 /nfs/dbraw/zinc/88/13/29/788881329.db2.gz UZXXOXPQAHMMPO-AJGRILASSA-N 0 3 321.248 2.218 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)c1cnco1 ZINC001135122804 789207537 /nfs/dbraw/zinc/20/75/37/789207537.db2.gz ICGQBGCAAPWZDB-NXEZZACHSA-N 0 3 316.199 2.070 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2CC(F)(F)C2)C1 ZINC001070400737 789311063 /nfs/dbraw/zinc/31/10/63/789311063.db2.gz CUULPTLMXDDNFK-NSHDSACASA-N 0 3 324.375 2.047 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001070427773 789324357 /nfs/dbraw/zinc/32/43/57/789324357.db2.gz CRMPKROPRCXOPX-ZFWWWQNUSA-N 0 3 314.433 2.191 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC23CCC3)C1 ZINC001070427770 789324997 /nfs/dbraw/zinc/32/49/97/789324997.db2.gz CRMPKROPRCXOPX-DZGCQCFKSA-N 0 3 314.433 2.191 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001070792592 789457681 /nfs/dbraw/zinc/45/76/81/789457681.db2.gz BHHBGJVPWYUOML-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)c1ccsc1)C[C@H](C)O2 ZINC001071130209 789544616 /nfs/dbraw/zinc/54/46/16/789544616.db2.gz XXBKTKZTUWONRO-WMLDXEAASA-N 0 3 318.442 2.077 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001071140480 789554482 /nfs/dbraw/zinc/55/44/82/789554482.db2.gz UNYYLFZCWQNRIH-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](O)C1 ZINC001090525706 789560358 /nfs/dbraw/zinc/56/03/58/789560358.db2.gz MUWFQTJXFLNLPP-SJORKVTESA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1coc(C)c1)C[C@H](C)O2 ZINC001071161909 789567080 /nfs/dbraw/zinc/56/70/80/789567080.db2.gz PTESICWIFKXXRB-YJBOKZPZSA-N 0 3 318.417 2.470 20 30 DEEDHN CC(C)[C@H]1C[C@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001136061322 789614448 /nfs/dbraw/zinc/61/44/48/789614448.db2.gz LVKGLJUAUYZNHK-HUUCEWRRSA-N 0 3 303.381 2.195 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001086830858 789677461 /nfs/dbraw/zinc/67/74/61/789677461.db2.gz AKKGEYYCVYHOLZ-UONOGXRCSA-N 0 3 322.840 2.334 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2COC)CC[C@@H]1C ZINC001071641989 789835529 /nfs/dbraw/zinc/83/55/29/789835529.db2.gz JJGUESWUYJHQRI-RDJZCZTQSA-N 0 3 314.429 2.439 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc(Cl)n2C)CC[C@H]1C ZINC001071677902 789859269 /nfs/dbraw/zinc/85/92/69/789859269.db2.gz XFYGVDJRKYFJKM-VXGBXAGGSA-N 0 3 310.829 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(CC)nn2C)CC[C@@H]1C ZINC001071698825 789872758 /nfs/dbraw/zinc/87/27/58/789872758.db2.gz XACQVNZLOVODPX-HOCLYGCPSA-N 0 3 318.465 2.070 20 30 DEEDHN C=C(C)CC[N@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@@H]1C ZINC001071761815 789907717 /nfs/dbraw/zinc/90/77/17/789907717.db2.gz CTRMHOSLMPCFCR-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@@H]1C ZINC001071761815 789907721 /nfs/dbraw/zinc/90/77/21/789907721.db2.gz CTRMHOSLMPCFCR-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(c3cc(C)no3)CC2)CC[C@@H]1C ZINC001071766496 789909203 /nfs/dbraw/zinc/90/92/03/789909203.db2.gz XKQWRIIUNBOKBA-GJZGRUSLSA-N 0 3 315.417 2.007 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)[nH]c2=O)CC[C@H]1C ZINC001071850802 789942832 /nfs/dbraw/zinc/94/28/32/789942832.db2.gz HSPMFNHZGDEZBK-ZIAGYGMSSA-N 0 3 303.406 2.254 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@H]1C ZINC001071866017 789949872 /nfs/dbraw/zinc/94/98/72/789949872.db2.gz PTJOUFUWXNKGPS-HUUCEWRRSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)ncc2Cl)CC[C@H]1C ZINC001071870447 789951647 /nfs/dbraw/zinc/95/16/47/789951647.db2.gz APXCUMXXLIOMOB-YPMHNXCESA-N 0 3 320.824 2.044 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)nc2OC)CC[C@@H]1C ZINC001071881520 789956051 /nfs/dbraw/zinc/95/60/51/789956051.db2.gz ZDTHHJUCSJKIBS-GJZGRUSLSA-N 0 3 315.417 2.005 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(OC)c2)CC[C@@H]1C ZINC001072044461 790029485 /nfs/dbraw/zinc/02/94/85/790029485.db2.gz MHOOHOKPVLMUTQ-GOEBONIOSA-N 0 3 302.418 2.393 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccnc2N(C)C)CC[C@@H]1C ZINC001072073596 790042292 /nfs/dbraw/zinc/04/22/92/790042292.db2.gz ZZQPCPHKUAUGEA-GJZGRUSLSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)nc2)CC[C@@H]1C ZINC001072084801 790045642 /nfs/dbraw/zinc/04/56/42/790045642.db2.gz IVOAHKQXQUXJEP-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072129516 790063490 /nfs/dbraw/zinc/06/34/90/790063490.db2.gz LYYYLFFYKBVTFY-NVXWUHKLSA-N 0 3 313.445 2.430 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3nc4cccnc4s3)C2)C1 ZINC001072816879 790258631 /nfs/dbraw/zinc/25/86/31/790258631.db2.gz DYLYGYHZGZDARC-UHFFFAOYSA-N 0 3 314.414 2.025 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](NCc2ccc(F)cc2F)[C@@H]1C ZINC001074568137 791233772 /nfs/dbraw/zinc/23/37/72/791233772.db2.gz KWDJBDHLUKRNCM-PGUXBMHVSA-N 0 3 307.344 2.203 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)C[C@H]1C ZINC001075004161 791426217 /nfs/dbraw/zinc/42/62/17/791426217.db2.gz LZSSJBDMJYWYMT-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001075097406 791459995 /nfs/dbraw/zinc/45/99/95/791459995.db2.gz OGSUFIQCODQQJP-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCOCCCCC(=O)N1CC2(C1)CCN(CC=C)C2 ZINC001147546716 791565362 /nfs/dbraw/zinc/56/53/62/791565362.db2.gz GRPNPBZFHCVVRS-UHFFFAOYSA-N 0 3 306.450 2.470 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001098218175 791591124 /nfs/dbraw/zinc/59/11/24/791591124.db2.gz YDZAUVZTYMCVLL-UPJWGTAASA-N 0 3 322.840 2.161 20 30 DEEDHN Cc1cccnc1CN1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC001091659983 791619329 /nfs/dbraw/zinc/61/93/29/791619329.db2.gz XYFKDMRBAZYTSR-XLIONFOSSA-N 0 3 323.440 2.084 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CC(C)C1)C[C@@H](C)O2 ZINC001098582782 791655419 /nfs/dbraw/zinc/65/54/19/791655419.db2.gz BILUQWJTHOSSHD-HWOWSKLDSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOCCN1CCC2(CN(C(=O)c3occc3Cl)C2)C1 ZINC001148226959 791717092 /nfs/dbraw/zinc/71/70/92/791717092.db2.gz ZDWPFJZSLCOSAC-UHFFFAOYSA-N 0 3 324.808 2.284 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCCC(F)(F)F)C2)C1 ZINC001148327767 791733210 /nfs/dbraw/zinc/73/32/10/791733210.db2.gz SETILCHSWNLFOG-UHFFFAOYSA-N 0 3 302.340 2.277 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001148727723 791793758 /nfs/dbraw/zinc/79/37/58/791793758.db2.gz IIGFKZPNJBTYQO-OAHLLOKOSA-N 0 3 311.470 2.064 20 30 DEEDHN C=CCCOCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148893349 791813850 /nfs/dbraw/zinc/81/38/50/791813850.db2.gz DASIWHPTGBKBGW-UHFFFAOYSA-N 0 3 320.458 2.375 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccncc3)C2)CC1 ZINC001086898606 791841612 /nfs/dbraw/zinc/84/16/12/791841612.db2.gz MKWYSUGHEZXMFQ-MRXNPFEDSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccncc3F)C2)CC1 ZINC001086911829 791847617 /nfs/dbraw/zinc/84/76/17/791847617.db2.gz AWWCATWEOAAMTM-CQSZACIVSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](OC)C3CC3)C2)CC1 ZINC001086919936 791851853 /nfs/dbraw/zinc/85/18/53/791851853.db2.gz BUVJTAWNSNVLFX-RDJZCZTQSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001171361914 791872251 /nfs/dbraw/zinc/87/22/51/791872251.db2.gz IHQIGSHPJIFLLT-UHFFFAOYSA-N 0 3 320.776 2.255 20 30 DEEDHN C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001171362840 791872608 /nfs/dbraw/zinc/87/26/08/791872608.db2.gz MPCQVFFCLJZBFT-ZENOOKHLSA-N 0 3 318.421 2.104 20 30 DEEDHN C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001171362840 791872612 /nfs/dbraw/zinc/87/26/12/791872612.db2.gz MPCQVFFCLJZBFT-ZENOOKHLSA-N 0 3 318.421 2.104 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3Cc4ccccc43)C[C@]2(C)C1 ZINC001091964511 791906760 /nfs/dbraw/zinc/90/67/60/791906760.db2.gz LYZVKGCMYMLEBA-KPFFTGBYSA-N 0 3 308.425 2.130 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001330644046 1149229228 /nfs/dbraw/zinc/22/92/28/1149229228.db2.gz OIOUVKFTDFSJDY-JYJNAYRXSA-N 0 3 318.465 2.315 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@]2(C)C1 ZINC001092246538 791963309 /nfs/dbraw/zinc/96/33/09/791963309.db2.gz QWAKKDLBZGAKTI-APWZRJJASA-N 0 3 314.404 2.172 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@]2(C)C1 ZINC001092257420 791968814 /nfs/dbraw/zinc/96/88/14/791968814.db2.gz TZVNGMYBPVNWRE-KDOFPFPSSA-N 0 3 318.367 2.382 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001098869563 791969468 /nfs/dbraw/zinc/96/94/68/791969468.db2.gz NDQLUACQTXUJBA-YCPHGPKFSA-N 0 3 310.388 2.416 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(OC)c2C)C1 ZINC001098902806 791979349 /nfs/dbraw/zinc/97/93/49/791979349.db2.gz OJYRLXIIJZHYMF-KSSFIOAISA-N 0 3 315.417 2.169 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3cnccc3o2)C1 ZINC001098923277 791984795 /nfs/dbraw/zinc/98/47/95/791984795.db2.gz GGVTVYWUQBEQOD-KXBFYZLASA-N 0 3 323.396 2.435 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(C)c2CC)C1 ZINC001099029775 792047406 /nfs/dbraw/zinc/04/74/06/792047406.db2.gz MBPNPDITTGTKNI-KXBFYZLASA-N 0 3 313.445 2.195 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cc(C)nn1C ZINC001099134669 792110823 /nfs/dbraw/zinc/11/08/23/792110823.db2.gz BIUAMUAKKWSGLG-OAHLLOKOSA-N 0 3 318.465 2.064 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001099143488 792115243 /nfs/dbraw/zinc/11/52/43/792115243.db2.gz GGRPLYFVWKKVHN-YJBOKZPZSA-N 0 3 316.832 2.486 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001099166407 792122163 /nfs/dbraw/zinc/12/21/63/792122163.db2.gz VSKYGLKWYJACEB-BZUAXINKSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C(F)(F)F ZINC001099212668 792139966 /nfs/dbraw/zinc/13/99/66/792139966.db2.gz OIUJLMBAHFOIKI-VXGBXAGGSA-N 0 3 315.339 2.194 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1C(F)(F)F ZINC001099243484 792150017 /nfs/dbraw/zinc/15/00/17/792150017.db2.gz TYRBVEHGXCBVKL-VXGBXAGGSA-N 0 3 302.296 2.367 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1C(F)(F)F ZINC001099248633 792150794 /nfs/dbraw/zinc/15/07/94/792150794.db2.gz GSYOGWAFFVSXFJ-OPRDCNLKSA-N 0 3 312.282 2.197 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092889829 792161048 /nfs/dbraw/zinc/16/10/48/792161048.db2.gz MVSWFJXSAYZVGU-PSBWJHGTSA-N 0 3 310.441 2.378 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1C(F)(F)F ZINC001099298190 792163595 /nfs/dbraw/zinc/16/35/95/792163595.db2.gz VHKNUBUFAUOWBB-RBSFLKMASA-N 0 3 324.346 2.491 20 30 DEEDHN CCCN(C)CC(=O)NCC[C@@H](C)Nc1cccc(F)c1C#N ZINC001099355171 792182469 /nfs/dbraw/zinc/18/24/69/792182469.db2.gz CFLIIJGEDHOHDA-CYBMUJFWSA-N 0 3 320.412 2.346 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2sc(CCC)nc2C)[C@H](C)C1 ZINC001093195638 792279697 /nfs/dbraw/zinc/27/96/97/792279697.db2.gz SYDVZBPSTBIVEZ-TZMCWYRMSA-N 0 3 319.474 2.335 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C[C@H]1O ZINC001099726676 792330148 /nfs/dbraw/zinc/33/01/48/792330148.db2.gz IWGORQWJJYKQHC-ZWKOTPCHSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC001093353620 792337022 /nfs/dbraw/zinc/33/70/22/792337022.db2.gz VDPHFSWMNBSHSV-GOSISDBHSA-N 0 3 323.440 2.422 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099785250 792358789 /nfs/dbraw/zinc/35/87/89/792358789.db2.gz CPWGTNIGPKLOHH-MSOLQXFVSA-N 0 3 318.461 2.232 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C[C@H]1O ZINC001099945437 792413008 /nfs/dbraw/zinc/41/30/08/792413008.db2.gz XFLCTBSVEGYGSN-IAGOWNOFSA-N 0 3 316.445 2.259 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001100096662 792471070 /nfs/dbraw/zinc/47/10/70/792471070.db2.gz KZZFVYIROMSMBN-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN CC(C)C#CC(=O)NCC1CC(NCc2ccncc2Cl)C1 ZINC001100309219 792581728 /nfs/dbraw/zinc/58/17/28/792581728.db2.gz LCVDQPAEARKEKD-UHFFFAOYSA-N 0 3 319.836 2.379 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccncc2C)C1 ZINC001100335314 792597404 /nfs/dbraw/zinc/59/74/04/792597404.db2.gz UNOCHEHOMZMKDA-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100568036 792724162 /nfs/dbraw/zinc/72/41/62/792724162.db2.gz NQIMMMFHBCVDDV-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100590710 792738334 /nfs/dbraw/zinc/73/83/34/792738334.db2.gz BHYXAKXYPJOTME-UHFFFAOYSA-N 0 3 320.462 2.025 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ncccc2F)C1 ZINC001100611284 792749507 /nfs/dbraw/zinc/74/95/07/792749507.db2.gz SCQBUAHXAFDCLJ-UHFFFAOYSA-N 0 3 311.788 2.000 20 30 DEEDHN Cc1nocc1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100632637 792759417 /nfs/dbraw/zinc/75/94/17/792759417.db2.gz JFOSEQHJLWJQGR-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100644856 792763966 /nfs/dbraw/zinc/76/39/66/792763966.db2.gz KKINXRMYIZPGDN-JFUPDXTOSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(N[C@H](C)c3n[nH]c(C)n3)C2)C1 ZINC001100662179 792774520 /nfs/dbraw/zinc/77/45/20/792774520.db2.gz JNGDRVORLBCSSO-LMWSTFAQSA-N 0 3 317.437 2.015 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)CCOC)C1 ZINC001100812362 792861964 /nfs/dbraw/zinc/86/19/64/792861964.db2.gz JAIAFIDYFHTPOO-UHFFFAOYSA-N 0 3 302.846 2.286 20 30 DEEDHN C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001094363810 792874382 /nfs/dbraw/zinc/87/43/82/792874382.db2.gz FZALPLBLHQVYJS-IEBWSBKVSA-N 0 3 312.413 2.390 20 30 DEEDHN C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001094363810 792874390 /nfs/dbraw/zinc/87/43/90/792874390.db2.gz FZALPLBLHQVYJS-IEBWSBKVSA-N 0 3 312.413 2.390 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001100842635 792879810 /nfs/dbraw/zinc/87/98/10/792879810.db2.gz GOOYSTPODHIJRZ-HSBZDZAISA-N 0 3 310.829 2.071 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ncc(C)cc3C)CCC[C@@H]12 ZINC001094476671 792946033 /nfs/dbraw/zinc/94/60/33/792946033.db2.gz YHXACFISRKVYFO-VQIMIIECSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3coc(C4CC4)n3)CCC[C@@H]12 ZINC001094529652 792965498 /nfs/dbraw/zinc/96/54/98/792965498.db2.gz GIMXFHYXTJWROL-CRAIPNDOSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ncccc3Cl)CCC[C@@H]12 ZINC001094565092 792983766 /nfs/dbraw/zinc/98/37/66/792983766.db2.gz MHWYNPDPLRIWKQ-RHSMWYFYSA-N 0 3 317.820 2.343 20 30 DEEDHN CCN(C)C(C)(C)C(=O)N1CCC(C(C)(C)CNCC#N)CC1 ZINC001101551689 793226571 /nfs/dbraw/zinc/22/65/71/793226571.db2.gz WJCPMJBVAIOICD-UHFFFAOYSA-N 0 3 322.497 2.095 20 30 DEEDHN C#CCCN1CCC[C@@H](N[C@H]2CSc3ccccc3C2)C1=O ZINC001172204463 793364793 /nfs/dbraw/zinc/36/47/93/793364793.db2.gz PKYXUOVMTVDBMQ-HZPDHXFCSA-N 0 3 314.454 2.307 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN([C@@H](C)c2cnc(C)cn2)C[C@H]1C ZINC001101805363 793385571 /nfs/dbraw/zinc/38/55/71/793385571.db2.gz PBGORAFPLVMXNY-VNQPRFMTSA-N 0 3 316.449 2.496 20 30 DEEDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1cccc(F)c1C#N ZINC001101829644 793399430 /nfs/dbraw/zinc/39/94/30/793399430.db2.gz TVJQQZPUYIEQFK-UHFFFAOYSA-N 0 3 320.412 2.298 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1C ZINC001101920722 793441695 /nfs/dbraw/zinc/44/16/95/793441695.db2.gz HPGKVPHVHRNLGZ-UKRRQHHQSA-N 0 3 319.474 2.439 20 30 DEEDHN Cc1ncc(CN2C[C@@H](CNC(=O)C#CC3CC3)[C@H](C)C2)s1 ZINC001101951463 793458054 /nfs/dbraw/zinc/45/80/54/793458054.db2.gz RCUVMJCSUAJGIO-IUODEOHRSA-N 0 3 317.458 2.049 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCCC[C@H](O)C2)C[C@H]1C#N ZINC001172979599 793550346 /nfs/dbraw/zinc/55/03/46/793550346.db2.gz GMGZNTGEHFWEIK-KKUMJFAQSA-N 0 3 323.437 2.125 20 30 DEEDHN CCC[C@@H](C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C)C(C)C ZINC001102418205 793607621 /nfs/dbraw/zinc/60/76/21/793607621.db2.gz RCRCHHFTDCUBNG-KZNAEPCWSA-N 0 3 322.493 2.393 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CN(CCF)C[C@H]2C)CCOCC1 ZINC001102534172 793643750 /nfs/dbraw/zinc/64/37/50/793643750.db2.gz VYHDWNIXPWUOCR-HUUCEWRRSA-N 0 3 312.429 2.013 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3ncccn3)CC2)CC1 ZINC001173319633 793690101 /nfs/dbraw/zinc/69/01/01/793690101.db2.gz POMBAKWFGFSRKT-UHFFFAOYSA-N 0 3 302.422 2.112 20 30 DEEDHN C[C@@H](CC#N)NC1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173463705 793745337 /nfs/dbraw/zinc/74/53/37/793745337.db2.gz OZULJTIIYFGNQR-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](OC)C2CC2)C1 ZINC001102932828 793826542 /nfs/dbraw/zinc/82/65/42/793826542.db2.gz ISKFEEWMUSHNOE-DFBGVHRSSA-N 0 3 314.857 2.238 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](CC)N(C)C)Nc1cccc(F)c1C#N ZINC001103137497 793953354 /nfs/dbraw/zinc/95/33/54/793953354.db2.gz LJROHFBZZKPZPN-LRDDRELGSA-N 0 3 320.412 2.344 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174849154 794084851 /nfs/dbraw/zinc/08/48/51/794084851.db2.gz KCDQTHVLGPCSMG-KBPBESRZSA-N 0 3 321.469 2.480 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110183182 794162991 /nfs/dbraw/zinc/16/29/91/794162991.db2.gz MQVWFAMSZOCVQD-BGTYHANMSA-N 0 3 314.429 2.499 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1cccc(CC)c1 ZINC001175392676 794196488 /nfs/dbraw/zinc/19/64/88/794196488.db2.gz FTBBIIIGFSJNKY-UHFFFAOYSA-N 0 3 310.825 2.476 20 30 DEEDHN CCN1CCN(c2ccc(Nc3c(C#N)ncn3C)cc2)CC1 ZINC001175781116 794287158 /nfs/dbraw/zinc/28/71/58/794287158.db2.gz FHZJASRUIITUFN-UHFFFAOYSA-N 0 3 310.405 2.177 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccnn2CC)C[C@H]1C ZINC001104114157 794383816 /nfs/dbraw/zinc/38/38/16/794383816.db2.gz UFWHIVCICNUGSS-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001150620376 794485626 /nfs/dbraw/zinc/48/56/26/794485626.db2.gz OPFGILSPGMPCEU-WMZOPIPTSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1C(F)(F)F ZINC001112142947 794563616 /nfs/dbraw/zinc/56/36/16/794563616.db2.gz AKOPWOCJTXZXSJ-UPJWGTAASA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNCc1nnn(C(C)(C)C)n1)C(C)C ZINC001177222800 794610212 /nfs/dbraw/zinc/61/02/12/794610212.db2.gz PZAYDDINIREHTB-HNNXBMFYSA-N 0 3 320.485 2.216 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCc1c(C)noc1Cl ZINC001177293320 794623866 /nfs/dbraw/zinc/62/38/66/794623866.db2.gz XADARBIEDHFBBV-UHFFFAOYSA-N 0 3 320.220 2.417 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CCOCC)CCCC1 ZINC001115020548 794653810 /nfs/dbraw/zinc/65/38/10/794653810.db2.gz LDEBCMFGNCUMMH-ZSHCYNCHSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2cncs2)CCCCC1 ZINC001115448143 794776458 /nfs/dbraw/zinc/77/64/58/794776458.db2.gz WHZPDLVYXQMYPC-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN Cc1csc(CNCCCCCCNC(=O)[C@@H](C)C#N)n1 ZINC001178049526 794805057 /nfs/dbraw/zinc/80/50/57/794805057.db2.gz CWAKMXFKUKOZTK-LBPRGKRZSA-N 0 3 308.451 2.377 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCCCCNCc1cc(C2CC2)no1 ZINC001178053019 794807390 /nfs/dbraw/zinc/80/73/90/794807390.db2.gz NOUIWWLTCVGHGE-CYBMUJFWSA-N 0 3 318.421 2.478 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(F)F ZINC001178034393 794817969 /nfs/dbraw/zinc/81/79/69/794817969.db2.gz YVXQHWDAPNVJNK-ZFWWWQNUSA-N 0 3 306.356 2.272 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2c[nH]nc2C)CCCCC1 ZINC001115657360 794864119 /nfs/dbraw/zinc/86/41/19/794864119.db2.gz PQIDOXDAGDKIQE-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cnoc2)CCCCC1 ZINC001115688073 794879407 /nfs/dbraw/zinc/87/94/07/794879407.db2.gz JPUNKUBNBZRNDS-UHFFFAOYSA-N 0 3 311.813 2.378 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cccc(OC)n2)[C@@H]1C ZINC001178320057 794900019 /nfs/dbraw/zinc/90/00/19/794900019.db2.gz CSJFTEWZOOLNDI-ZFWWWQNUSA-N 0 3 303.406 2.135 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCC(=O)NC(CC)CC)[C@@H]1C ZINC001178805731 794999957 /nfs/dbraw/zinc/99/99/57/794999957.db2.gz KWNLDWWKRAEDNQ-HOCLYGCPSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001178957118 795038259 /nfs/dbraw/zinc/03/82/59/795038259.db2.gz NAJRUIPESMCPSI-ZFWWWQNUSA-N 0 3 318.421 2.121 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179340211 795102338 /nfs/dbraw/zinc/10/23/38/795102338.db2.gz VZKJERHAALKNJG-HNNXBMFYSA-N 0 3 321.469 2.482 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NCC(C)C)[C@@H]1C ZINC001179451779 795116643 /nfs/dbraw/zinc/11/66/43/795116643.db2.gz HWMIWQPOZPMILC-PMPSAXMXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(CC)CC)[C@H]1C ZINC001179793576 795177463 /nfs/dbraw/zinc/17/74/63/795177463.db2.gz HIZCOMLKXQRYBB-YCPHGPKFSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCCCCNCc1ocnc1C ZINC001180434525 795296644 /nfs/dbraw/zinc/29/66/44/795296644.db2.gz VYKOIDHMWKEJGK-OAHLLOKOSA-N 0 3 323.437 2.340 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1cc(C)cc(C)c1 ZINC001180542404 795327488 /nfs/dbraw/zinc/32/74/88/795327488.db2.gz OMTUALCXTQVUDL-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2CCN([C@H](C)c3ccccc3)C2)C1=O ZINC001119697389 795339991 /nfs/dbraw/zinc/33/99/91/795339991.db2.gz MPQVLTIRSJGGFH-BMFZPTHFSA-N 0 3 313.401 2.318 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC)C1 ZINC001181038777 795408103 /nfs/dbraw/zinc/40/81/03/795408103.db2.gz FABGVXVCOXAUOE-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN CCSCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181263034 795447955 /nfs/dbraw/zinc/44/79/55/795447955.db2.gz TWCQUVWGUGMAOT-GFCCVEGCSA-N 0 3 323.487 2.453 20 30 DEEDHN C#CCCCCC(=O)NC1(CCOC)CCN(CC=C)CC1 ZINC001151074604 795570895 /nfs/dbraw/zinc/57/08/95/795570895.db2.gz ATJONOMNYYJNHI-UHFFFAOYSA-N 0 3 306.450 2.353 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C2=CCOCC2)CC1 ZINC001121955501 795709122 /nfs/dbraw/zinc/70/91/22/795709122.db2.gz QNFRDOPFQJTSCL-UHFFFAOYSA-N 0 3 321.465 2.309 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC001122042229 795720687 /nfs/dbraw/zinc/72/06/87/795720687.db2.gz DZQGGCIQAHJKTI-ZIAGYGMSSA-N 0 3 322.478 2.032 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)CCOCC ZINC001122631613 795786964 /nfs/dbraw/zinc/78/69/64/795786964.db2.gz VTVGVBIXRGPVCT-HNNXBMFYSA-N 0 3 321.469 2.136 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC001183064722 795800529 /nfs/dbraw/zinc/80/05/29/795800529.db2.gz YSBQBPZWCDOMPZ-MRXNPFEDSA-N 0 3 314.429 2.264 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3cccnc3C)C2)CCC1 ZINC001183185513 795818452 /nfs/dbraw/zinc/81/84/52/795818452.db2.gz KYBALUDNHZXSRF-QGZVFWFLSA-N 0 3 311.429 2.274 20 30 DEEDHN C#CCC[C@@H](O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001183606982 795891537 /nfs/dbraw/zinc/89/15/37/795891537.db2.gz QFGFEVFNRAWPEZ-CYBMUJFWSA-N 0 3 312.207 2.327 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C)cc(OC)c2C)C1 ZINC001183965063 795969386 /nfs/dbraw/zinc/96/93/86/795969386.db2.gz NWUGEYLGXARWEI-OAHLLOKOSA-N 0 3 300.402 2.139 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)/C=C\C(C)(C)C ZINC001124930962 796094972 /nfs/dbraw/zinc/09/49/72/796094972.db2.gz SICUKUURVLQSAK-KVPUOBJLSA-N 0 3 323.481 2.108 20 30 DEEDHN O=C1CCN(Cc2ccc(C#Cc3ccccc3)cc2)CCN1 ZINC001138333708 796198077 /nfs/dbraw/zinc/19/80/77/796198077.db2.gz MRBQSQXTNJNMBE-UHFFFAOYSA-N 0 3 304.393 2.408 20 30 DEEDHN OC[C@@H]1CN(Cc2ccc(C#Cc3ccccc3)cc2)CC[C@@H]1O ZINC001138335004 796198596 /nfs/dbraw/zinc/19/85/96/796198596.db2.gz BUPPRHFZIILVFW-SFTDATJTSA-N 0 3 321.420 2.262 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@](O)(CF)CC2)cc1OC ZINC001138343648 796201453 /nfs/dbraw/zinc/20/14/53/796201453.db2.gz NOJZDRQWZKLLAL-GOSISDBHSA-N 0 3 321.392 2.394 20 30 DEEDHN C#CCOc1ccc(CN2CCN(CC)C[C@H]2C)cc1OC ZINC001138347717 796202598 /nfs/dbraw/zinc/20/25/98/796202598.db2.gz KEIRSCJEECPMCM-OAHLLOKOSA-N 0 3 302.418 2.233 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(OCC)c(C)c2)C1 ZINC001186018253 796348941 /nfs/dbraw/zinc/34/89/41/796348941.db2.gz FHQVRDXKBMHHJC-MRXNPFEDSA-N 0 3 300.402 2.221 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC001186184243 796370462 /nfs/dbraw/zinc/37/04/62/796370462.db2.gz FSBDVNKCKMICAH-GFCCVEGCSA-N 0 3 305.447 2.268 20 30 DEEDHN O=C1C=C2CN(Cc3c[nH]c4ncnc(Cl)c34)CCC2S1 ZINC001139940333 796448442 /nfs/dbraw/zinc/44/84/42/796448442.db2.gz DQPAKKIPWFYVDV-JTQLQIEISA-N 0 3 320.805 2.337 20 30 DEEDHN CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3c[nH]c4ccc(C#N)cc34)C[C@H]21 ZINC001140113696 796479059 /nfs/dbraw/zinc/47/90/59/796479059.db2.gz JBGWHLCRTMWAMD-VQFNDLOPSA-N 0 3 322.412 2.242 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001140165049 796485970 /nfs/dbraw/zinc/48/59/70/796485970.db2.gz IIWYJPXOOARBBW-BJIFSAINSA-N 0 3 318.392 2.399 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001110391212 796499114 /nfs/dbraw/zinc/49/91/14/796499114.db2.gz BRVAIWMWIDEBDH-ZACQAIPSSA-N 0 3 304.434 2.411 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001187320493 796522796 /nfs/dbraw/zinc/52/27/96/796522796.db2.gz VSKXOINOVCQDBW-JKSUJKDBSA-N 0 3 320.458 2.292 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001187925469 796603982 /nfs/dbraw/zinc/60/39/82/796603982.db2.gz VMJHYMDLESBYLM-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001188001289 796612050 /nfs/dbraw/zinc/61/20/50/796612050.db2.gz DWMKXFCOCFIDKH-DOTOQJQBSA-N 0 3 314.429 2.088 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2cccc(OC)c2)C1 ZINC001188235650 796641853 /nfs/dbraw/zinc/64/18/53/796641853.db2.gz GCLFWABKCNYTCA-DOTOQJQBSA-N 0 3 314.429 2.403 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001188242999 796642774 /nfs/dbraw/zinc/64/27/74/796642774.db2.gz HBZAKJPIYPGZOF-VNCLNFNDSA-N 0 3 318.461 2.043 20 30 DEEDHN N#Cc1ccc(Oc2ccc(CN3C[C@H](O)[C@@H](CO)C3)cc2)cc1 ZINC001141289599 796657089 /nfs/dbraw/zinc/65/70/89/796657089.db2.gz LFJWRTSCRKPZCM-APWZRJJASA-N 0 3 324.380 2.136 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000838624100 796672094 /nfs/dbraw/zinc/67/20/94/796672094.db2.gz HBCLWPRXEXDFGN-UHFFFAOYSA-N 0 3 323.780 2.145 20 30 DEEDHN CC(=O)OCc1ccc(CN2CCC3SC(=O)C=C3C2)o1 ZINC001141783999 796690564 /nfs/dbraw/zinc/69/05/64/796690564.db2.gz LCUWZZWCOMQNSN-CQSZACIVSA-N 0 3 307.371 2.117 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001188776702 796719560 /nfs/dbraw/zinc/71/95/60/796719560.db2.gz CXWITVIYPZRZMV-OKZBNKHCSA-N 0 3 318.461 2.468 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001188844934 796732479 /nfs/dbraw/zinc/73/24/79/796732479.db2.gz NEGNBOAMZBZNHR-CYBMUJFWSA-N 0 3 311.813 2.017 20 30 DEEDHN N#CC1(CNC(=O)C2CCN(Cc3ccncc3)CC2)CCC1 ZINC001142348254 796737068 /nfs/dbraw/zinc/73/70/68/796737068.db2.gz WFBRKVLLIJYVOJ-UHFFFAOYSA-N 0 3 312.417 2.104 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2ccnc3[nH]ccc32)C1 ZINC001142887600 796780996 /nfs/dbraw/zinc/78/09/96/796780996.db2.gz DCTJVAODFNMUQG-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189369939 796812564 /nfs/dbraw/zinc/81/25/64/796812564.db2.gz GOSOLLKRUCJXMS-RUJXFNLJSA-N 0 3 314.429 2.435 20 30 DEEDHN Cc1ccccc1OCCN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001189401514 796823141 /nfs/dbraw/zinc/82/31/41/796823141.db2.gz XVURITLOFYRQCF-CVEARBPZSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](N(C)CCOC2CCC2)C1 ZINC001189575483 796851720 /nfs/dbraw/zinc/85/17/20/796851720.db2.gz UWUNKGGIJRWROR-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CN(C[C@H]2CCCCO2)CCCO1 ZINC001149797452 796896356 /nfs/dbraw/zinc/89/63/56/796896356.db2.gz XAHQIZLYJCACBY-SJORKVTESA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)CCc2scnc2C)C1 ZINC001189910159 796900373 /nfs/dbraw/zinc/90/03/73/796900373.db2.gz MGWXOICWBRFMJF-OAHLLOKOSA-N 0 3 319.474 2.330 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)CCc2csc(C)n2)C1 ZINC001189910553 796900631 /nfs/dbraw/zinc/90/06/31/796900631.db2.gz QRPKVGFHJMUDFR-MRXNPFEDSA-N 0 3 319.474 2.330 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001189916823 796902779 /nfs/dbraw/zinc/90/27/79/796902779.db2.gz AKAUDZXINNFUTR-WBVHZDCISA-N 0 3 322.474 2.416 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001189925844 796903981 /nfs/dbraw/zinc/90/39/81/796903981.db2.gz GVCOIAHCTKEMDU-QGZVFWFLSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)CC(F)F)C1 ZINC001149998330 796911464 /nfs/dbraw/zinc/91/14/64/796911464.db2.gz FQZCHXVVARHXKX-STQMWFEESA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001150212998 796928973 /nfs/dbraw/zinc/92/89/73/796928973.db2.gz VFCJGIDBFSJFMX-OLZOCXBDSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc3occc3[nH]2)C1 ZINC001190421896 797003118 /nfs/dbraw/zinc/00/31/18/797003118.db2.gz CJKLXXGLLYVFDB-CYBMUJFWSA-N 0 3 317.389 2.110 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C2CC(F)(F)C2)CC1 ZINC001151057142 797006626 /nfs/dbraw/zinc/00/66/26/797006626.db2.gz LRGYBAKCWOGKSJ-UHFFFAOYSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CCc2ccoc2)CC1 ZINC001151056595 797006761 /nfs/dbraw/zinc/00/67/61/797006761.db2.gz DGRDPEHXYFLKED-UHFFFAOYSA-N 0 3 320.433 2.386 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COCc2ccc(C)cc2)C1 ZINC001190520343 797017669 /nfs/dbraw/zinc/01/76/69/797017669.db2.gz NMOXVZUBFWUBNT-KRWDZBQOSA-N 0 3 302.418 2.230 20 30 DEEDHN CN(C)CC#CCNC(=O)c1ccccc1Oc1ccncc1 ZINC001151242462 797026378 /nfs/dbraw/zinc/02/63/78/797026378.db2.gz QJODAPSVFZUXBK-UHFFFAOYSA-N 0 3 309.369 2.169 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ncccc2F)CC1 ZINC001151367537 797037308 /nfs/dbraw/zinc/03/73/08/797037308.db2.gz JVSLLHGTCAPZGV-UHFFFAOYSA-N 0 3 321.396 2.008 20 30 DEEDHN C=C(C)CNC(=O)c1ccc(CN2CCN(CC)CC2)cc1 ZINC001190857763 797097376 /nfs/dbraw/zinc/09/73/76/797097376.db2.gz NYPAUQPCAONIET-UHFFFAOYSA-N 0 3 301.434 2.130 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(F)c(C#N)c1)C1CC1 ZINC001152576867 797206807 /nfs/dbraw/zinc/20/68/07/797206807.db2.gz CHUCUDCCWPGYPC-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2occ3c2CCC3)C1 ZINC001191551381 797225058 /nfs/dbraw/zinc/22/50/58/797225058.db2.gz KZTCPRAYUREBQW-OAHLLOKOSA-N 0 3 318.417 2.117 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001191569719 797229150 /nfs/dbraw/zinc/22/91/50/797229150.db2.gz RPACOSRCWDGICR-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C(C)C)on2)C1 ZINC001191595016 797233710 /nfs/dbraw/zinc/23/37/10/797233710.db2.gz MNBWSCKCBRPAKS-CQSZACIVSA-N 0 3 321.421 2.147 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001191683200 797239713 /nfs/dbraw/zinc/23/97/13/797239713.db2.gz CWFNUUCTXDUIDF-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CCCF)C1 ZINC001191801472 797266238 /nfs/dbraw/zinc/26/62/38/797266238.db2.gz WETRTESHQFFDBL-INIZCTEOSA-N 0 3 303.381 2.341 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001191833583 797272338 /nfs/dbraw/zinc/27/23/38/797272338.db2.gz VXEKBNULSGVEFR-BOGIFKDDSA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001191867481 797277668 /nfs/dbraw/zinc/27/76/68/797277668.db2.gz BXXJFUYNQGFYOG-ZIAGYGMSSA-N 0 3 318.408 2.403 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1csc([C@H]2CCCO2)n1 ZINC001153361956 797328675 /nfs/dbraw/zinc/32/86/75/797328675.db2.gz IWFOZNSGVKSTEQ-TZMCWYRMSA-N 0 3 321.446 2.068 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001192135660 797332271 /nfs/dbraw/zinc/33/22/71/797332271.db2.gz XPKUTRFVBZOBCC-STQMWFEESA-N 0 3 322.371 2.310 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001153574689 797356848 /nfs/dbraw/zinc/35/68/48/797356848.db2.gz ANYFEBNAYUFPBT-CQSZACIVSA-N 0 3 315.417 2.027 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(F)F)nc1 ZINC001153755361 797387211 /nfs/dbraw/zinc/38/72/11/797387211.db2.gz SNQTWSVOWQYOCZ-GFCCVEGCSA-N 0 3 309.360 2.483 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001192436054 797389531 /nfs/dbraw/zinc/38/95/31/797389531.db2.gz RWYMBRPTHKOWMG-IXDOHACOSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001153957603 797430491 /nfs/dbraw/zinc/43/04/91/797430491.db2.gz WQEWMHYOCSNLCD-CQSZACIVSA-N 0 3 320.437 2.369 20 30 DEEDHN C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001153957603 797430495 /nfs/dbraw/zinc/43/04/95/797430495.db2.gz WQEWMHYOCSNLCD-CQSZACIVSA-N 0 3 320.437 2.369 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001192731465 797435791 /nfs/dbraw/zinc/43/57/91/797435791.db2.gz KPIGLQYOQITUFU-IAGOWNOFSA-N 0 3 306.450 2.395 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cc(C)ccc1OC ZINC001154205225 797484055 /nfs/dbraw/zinc/48/40/55/797484055.db2.gz IVPPLHZJWDOTIO-MRXNPFEDSA-N 0 3 316.445 2.396 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1cncc(C)c1 ZINC001154257839 797498093 /nfs/dbraw/zinc/49/80/93/797498093.db2.gz SSNZOUYRXZLYOS-MRXNPFEDSA-N 0 3 301.434 2.173 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001154492215 797544824 /nfs/dbraw/zinc/54/48/24/797544824.db2.gz HLAKPRIIVSHNMI-SJORKVTESA-N 0 3 316.445 2.360 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001154519667 797551254 /nfs/dbraw/zinc/55/12/54/797551254.db2.gz XGJSDBFVCJSPMS-LLVKDONJSA-N 0 3 318.446 2.017 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001193662611 797606299 /nfs/dbraw/zinc/60/62/99/797606299.db2.gz HNLADKJBFWDALG-GOSISDBHSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2sc(C)nc2C)C1 ZINC001193906185 797649848 /nfs/dbraw/zinc/64/98/48/797649848.db2.gz NVTRREVJZMCMEB-CQSZACIVSA-N 0 3 323.462 2.109 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2OCCOC)C1 ZINC001194144266 797682833 /nfs/dbraw/zinc/68/28/33/797682833.db2.gz GMFPWZJGJLYMFW-OAHLLOKOSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001194275034 797697197 /nfs/dbraw/zinc/69/71/97/797697197.db2.gz QSLWXJGSBQXSAM-FMKPAKJESA-N 0 3 300.418 2.032 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCn1nc(C)cc1C ZINC001155535712 797783030 /nfs/dbraw/zinc/78/30/30/797783030.db2.gz XKYFNHWYMCXNJW-QGZVFWFLSA-N 0 3 318.465 2.130 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001194853974 797785615 /nfs/dbraw/zinc/78/56/15/797785615.db2.gz FADDKASWQLSQFC-YFHUEUNASA-N 0 3 308.466 2.308 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001194847727 797791592 /nfs/dbraw/zinc/79/15/92/797791592.db2.gz MYUIAJMANKZJRH-YFHUEUNASA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCn2ccnc2)C12CCC2 ZINC001203239803 797823087 /nfs/dbraw/zinc/82/30/87/797823087.db2.gz KOXBLOJHDCAPAY-KBPBESRZSA-N 0 3 322.840 2.043 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)c1c(C)noc1C ZINC001155825820 797858260 /nfs/dbraw/zinc/85/82/60/797858260.db2.gz SIIMHXJZJHDIDP-OLZOCXBDSA-N 0 3 305.422 2.245 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nc(C2CC2)oc1C ZINC001156096758 797924391 /nfs/dbraw/zinc/92/43/91/797924391.db2.gz GYEKEVZPHRNIAM-GFCCVEGCSA-N 0 3 303.406 2.324 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)n1cnc2ccccc21 ZINC001156167503 797937542 /nfs/dbraw/zinc/93/75/42/797937542.db2.gz HIZPUTHGLWUALT-HUUCEWRRSA-N 0 3 312.417 2.057 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001195652527 797939932 /nfs/dbraw/zinc/93/99/32/797939932.db2.gz RCVCOBGGNHUGOR-IBGZPJMESA-N 0 3 316.445 2.091 20 30 DEEDHN CO[C@@H](CN1CCCN(C(=O)C#CC(C)(C)C)CC1)C1CCC1 ZINC001195785763 797961671 /nfs/dbraw/zinc/96/16/71/797961671.db2.gz UISLZBCKWOQUFT-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCCN(CCC[C@H]2CCOC2)CC1 ZINC001195785841 797961966 /nfs/dbraw/zinc/96/19/66/797961966.db2.gz YAUSDSUIBKRNLG-KRWDZBQOSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CC/C=C/CC)C[C@H]2O)CC1 ZINC001195881451 797980424 /nfs/dbraw/zinc/98/04/24/797980424.db2.gz LCASURCNDVYQOP-ADDHZHGLSA-N 0 3 306.450 2.250 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCc1ccccn1 ZINC001156510237 798019060 /nfs/dbraw/zinc/01/90/60/798019060.db2.gz MJGSLBKREMODGA-MRXNPFEDSA-N 0 3 301.434 2.254 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001196446269 798053905 /nfs/dbraw/zinc/05/39/05/798053905.db2.gz POKKBAUJSUVYKY-BZUAXINKSA-N 0 3 308.466 2.308 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001196475393 798059450 /nfs/dbraw/zinc/05/94/50/798059450.db2.gz SOKGWFUKBJSLPB-GUFYHEMZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001196510677 798066658 /nfs/dbraw/zinc/06/66/58/798066658.db2.gz UCFCJTIYKIADGC-NUEKZKHPSA-N 0 3 322.474 2.054 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC001196619997 798083277 /nfs/dbraw/zinc/08/32/77/798083277.db2.gz RQMCMZIKLIVIHC-UHFFFAOYSA-N 0 3 316.449 2.462 20 30 DEEDHN C=C(C)C(=O)NCCCNc1ccc(CN(C)C2CC2)cn1 ZINC001156825681 798089056 /nfs/dbraw/zinc/08/90/56/798089056.db2.gz BLIDDSQVHSJYOU-UHFFFAOYSA-N 0 3 302.422 2.170 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCOc1ccccc1 ZINC001156857800 798096968 /nfs/dbraw/zinc/09/69/68/798096968.db2.gz BECFJDWGORZLQP-MRXNPFEDSA-N 0 3 302.418 2.305 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001156901624 798105287 /nfs/dbraw/zinc/10/52/87/798105287.db2.gz QGNWQOSFGAFYPN-GFCCVEGCSA-N 0 3 314.389 2.052 20 30 DEEDHN CC#CCCCC(=O)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC001196838512 798111918 /nfs/dbraw/zinc/11/19/18/798111918.db2.gz GMAMJXRAEPZACW-KRWDZBQOSA-N 0 3 306.450 2.283 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001156950060 798116254 /nfs/dbraw/zinc/11/62/54/798116254.db2.gz XTUXFSJFFLPNHF-CQSZACIVSA-N 0 3 318.465 2.274 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCOc1cccc(F)c1 ZINC001156982728 798122835 /nfs/dbraw/zinc/12/28/35/798122835.db2.gz NYCOLEXKUCHSGL-OAHLLOKOSA-N 0 3 320.408 2.445 20 30 DEEDHN C=CCCC1(C(=O)N2CCCN(CCC[C@H](C)O)CC2)CC1 ZINC001197062635 798143174 /nfs/dbraw/zinc/14/31/74/798143174.db2.gz VNYWVPQDTSHQAL-INIZCTEOSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001197067114 798143752 /nfs/dbraw/zinc/14/37/52/798143752.db2.gz OOLDWYSWJNBCBK-HUUCEWRRSA-N 0 3 322.836 2.390 20 30 DEEDHN CSc1nc(Cl)c(C#N)c(N2C[C@H]3CCCN(C)[C@H]3C2)n1 ZINC001157260927 798172620 /nfs/dbraw/zinc/17/26/20/798172620.db2.gz ODSYQLXAXXWJBY-KOLCDFICSA-N 0 3 323.853 2.254 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(NC2(C)CC[NH2+]CC2)n1 ZINC001157396886 798195294 /nfs/dbraw/zinc/19/52/94/798195294.db2.gz LOZMWGRORLVQSY-VIZOYTHASA-N 0 3 315.830 2.214 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001110494533 798223103 /nfs/dbraw/zinc/22/31/03/798223103.db2.gz QLRZAYMXNXADBS-OIISXLGYSA-N 0 3 304.434 2.081 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001197744540 798234170 /nfs/dbraw/zinc/23/41/70/798234170.db2.gz XHTFKGPTZXHMAB-KBAYOESNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCN1CCCN(C(=O)C2(CC=C)CCOCC2)CC1 ZINC001197995346 798270442 /nfs/dbraw/zinc/27/04/42/798270442.db2.gz LWPMMAJGCOIBMR-UHFFFAOYSA-N 0 3 306.450 2.470 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCOc2ccccc2)CC1 ZINC001198113622 798286662 /nfs/dbraw/zinc/28/66/62/798286662.db2.gz YYNKKVOQYKAOCR-UHFFFAOYSA-N 0 3 300.402 2.013 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(OC)ns1 ZINC001157973927 798319005 /nfs/dbraw/zinc/31/90/05/798319005.db2.gz YLQCZUMZIUTZBF-GFCCVEGCSA-N 0 3 309.435 2.264 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1OC ZINC001198514622 798352314 /nfs/dbraw/zinc/35/23/14/798352314.db2.gz DDRSGQFEAJWPGD-WBVHZDCISA-N 0 3 318.417 2.197 20 30 DEEDHN C=C(C)CCN[C@H](CNC(=O)[C@H](C)OC)c1ccccc1OC ZINC001198577718 798358121 /nfs/dbraw/zinc/35/81/21/798358121.db2.gz LEQAGIJZCWFXEA-GOEBONIOSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H]1CCOC1)c1ccccc1OC ZINC001198597178 798364071 /nfs/dbraw/zinc/36/40/71/798364071.db2.gz XWFGEQMENSQTFO-GOEBONIOSA-N 0 3 318.417 2.055 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CC)C2 ZINC001110516369 798372339 /nfs/dbraw/zinc/37/23/39/798372339.db2.gz TVOIQRDJYLYSFM-XYPHTWIQSA-N 0 3 317.433 2.115 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CN(CC(C)C)C[C@H]1O)c1ccccc1 ZINC001198879962 798412094 /nfs/dbraw/zinc/41/20/94/798412094.db2.gz ISIAXFVMWRRTRO-KZNAEPCWSA-N 0 3 316.445 2.164 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001158533980 798423683 /nfs/dbraw/zinc/42/36/83/798423683.db2.gz PCGMNCDUHZOMNY-JKSUJKDBSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Oc1ccccc1F ZINC001158655035 798445515 /nfs/dbraw/zinc/44/55/15/798445515.db2.gz RTIAEWQAKVGYNH-LBPRGKRZSA-N 0 3 314.788 2.441 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccn1 ZINC001158749844 798463375 /nfs/dbraw/zinc/46/33/75/798463375.db2.gz BTDZUZVDJFNFEP-HZPDHXFCSA-N 0 3 317.433 2.348 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCC=C)C[C@H]2O)CCCCC1 ZINC001199277916 798466356 /nfs/dbraw/zinc/46/63/56/798466356.db2.gz HFJBWPVOCCQMJS-IAGOWNOFSA-N 0 3 318.461 2.088 20 30 DEEDHN CN(CC(F)F)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001158934430 798492204 /nfs/dbraw/zinc/49/22/04/798492204.db2.gz MSWHMCNVHLBDTC-VIFPVBQESA-N 0 3 312.320 2.127 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@@H]1CN(C)CCOCC=C ZINC001158966297 798496879 /nfs/dbraw/zinc/49/68/79/798496879.db2.gz CZIFRBFAQMOTSI-QGZVFWFLSA-N 0 3 324.465 2.095 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC001158970728 798497654 /nfs/dbraw/zinc/49/76/54/798497654.db2.gz FMKVPUKPLIZJBF-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCc1c(C)nn(C)c1Cl ZINC001159014917 798506186 /nfs/dbraw/zinc/50/61/86/798506186.db2.gz KKDKAUNNKAUTIQ-UHFFFAOYSA-N 0 3 312.845 2.334 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccnn1C1CCCC1 ZINC001159093211 798521347 /nfs/dbraw/zinc/52/13/47/798521347.db2.gz BTWVXGGIHMXLCM-UHFFFAOYSA-N 0 3 310.829 2.460 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CC2CCCCC2)CCCO1 ZINC001199788398 798538780 /nfs/dbraw/zinc/53/87/80/798538780.db2.gz XYOYDYAJOMTNPK-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CC[C@@H]2CCCO2)CC1 ZINC001159415394 798562943 /nfs/dbraw/zinc/56/29/43/798562943.db2.gz YRRANKRSDWIQEW-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001200155481 798588868 /nfs/dbraw/zinc/58/88/68/798588868.db2.gz HWZRTHKDSXJNEL-UHFFFAOYSA-N 0 3 314.433 2.059 20 30 DEEDHN C=CCOCCCC(=O)NCCC1=CCN(CC#CC)CC1 ZINC001159674387 798594988 /nfs/dbraw/zinc/59/49/88/798594988.db2.gz LEEVSAPJFCGQAP-UHFFFAOYSA-N 0 3 304.434 2.131 20 30 DEEDHN CC(C)n1ncc(C#N)c1NC(=S)NCCN1CCCCC1 ZINC001200418937 798624535 /nfs/dbraw/zinc/62/45/35/798624535.db2.gz UCSSSDGAYAUKEO-UHFFFAOYSA-N 0 3 320.466 2.108 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CCCCC(C)(C)C)CCCO1 ZINC001200574799 798651909 /nfs/dbraw/zinc/65/19/09/798651909.db2.gz UHKPTVLUPUKKCY-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN N#Cc1cc2c(nc1-n1nc(-c3ccncc3)cc1CN)CCC2 ZINC001160339304 798677937 /nfs/dbraw/zinc/67/79/37/798677937.db2.gz HGABKTFEKOCFOU-UHFFFAOYSA-N 0 3 316.368 2.148 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001200823163 798683334 /nfs/dbraw/zinc/68/33/34/798683334.db2.gz BPSRNBBIDGYYER-UHFFFAOYSA-N 0 3 302.422 2.222 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ncc(F)cc2F)CC1 ZINC001160508700 798696844 /nfs/dbraw/zinc/69/68/44/798696844.db2.gz UFJFVQYVEKFBGI-UHFFFAOYSA-N 0 3 307.344 2.298 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CCCO1 ZINC001201043279 798709823 /nfs/dbraw/zinc/70/98/23/798709823.db2.gz WOGGOKXWEMFZHC-XMTFNYHQSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001160688292 798722641 /nfs/dbraw/zinc/72/26/41/798722641.db2.gz AQICGBNSBCIQTK-MRXNPFEDSA-N 0 3 318.417 2.262 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2c(C)cccc2Cl)CCCO1 ZINC001201308940 798738142 /nfs/dbraw/zinc/73/81/42/798738142.db2.gz HGJJQCLJXIHXCW-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN CC[C@H](COC)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001160935520 798765362 /nfs/dbraw/zinc/76/53/62/798765362.db2.gz HDYZKCPNWRCVAK-VXGBXAGGSA-N 0 3 320.393 2.262 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1ncc2ncn(C(C)C)c2n1 ZINC001160957522 798770214 /nfs/dbraw/zinc/77/02/14/798770214.db2.gz MKEIDUCVJODRNF-ZDUSSCGKSA-N 0 3 300.410 2.470 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](C)c2ccccc2)CCCO1 ZINC001201879462 798807145 /nfs/dbraw/zinc/80/71/45/798807145.db2.gz GKANZBCVDVIOJF-WMZOPIPTSA-N 0 3 314.429 2.021 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCc2cncs2)CC1 ZINC001161225770 798813179 /nfs/dbraw/zinc/81/31/79/798813179.db2.gz PGELLTAMDBHHBW-UHFFFAOYSA-N 0 3 317.458 2.237 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202084808 798825203 /nfs/dbraw/zinc/82/52/03/798825203.db2.gz KTDZFTWLLJILAA-DZGCQCFKSA-N 0 3 318.465 2.267 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2(CC=C)CCCCC2)CCCO1 ZINC001202133784 798831230 /nfs/dbraw/zinc/83/12/30/798831230.db2.gz IMTCIZRAXSLWBU-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2(C)CCC(C)CC2)CCCO1 ZINC001202182255 798837041 /nfs/dbraw/zinc/83/70/41/798837041.db2.gz AKWPULFPVKZTAE-PQUAAJSLSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CCCO1 ZINC001202182578 798837180 /nfs/dbraw/zinc/83/71/80/798837180.db2.gz GGQLJLMMPTXCNN-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cccn3ccnc23)CC1 ZINC001161458083 798863231 /nfs/dbraw/zinc/86/32/31/798863231.db2.gz PWQVICDDEHZPOS-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN C=CCCC1(C(=O)N2CCC(NCc3nccn3C)CC2)CC1 ZINC001202359721 798873855 /nfs/dbraw/zinc/87/38/55/798873855.db2.gz VKCUHEIIXIXSTB-UHFFFAOYSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(C)c1 ZINC001110609577 798918989 /nfs/dbraw/zinc/91/89/89/798918989.db2.gz LWVGDNXQTASDST-ZACQAIPSSA-N 0 3 316.449 2.040 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cn3ccccc3n2)CC1 ZINC001161817922 798944272 /nfs/dbraw/zinc/94/42/72/798944272.db2.gz IEFYZZDYWVQHOK-UHFFFAOYSA-N 0 3 310.401 2.272 20 30 DEEDHN C=CC[NH+]1CCC(CNC(=O)c2ccccc2[O-])(COC)CC1 ZINC001162119252 799014691 /nfs/dbraw/zinc/01/46/91/799014691.db2.gz BKNVOKGDSLSMRL-UHFFFAOYSA-N 0 3 318.417 2.037 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2C)(COC)CC1 ZINC001162433178 799087025 /nfs/dbraw/zinc/08/70/25/799087025.db2.gz BBRUODODYAQKAA-DLBZAZTESA-N 0 3 320.477 2.291 20 30 DEEDHN N#Cc1c(C(F)(F)F)cc(Cl)nc1-n1nccc1CN ZINC001162585215 799124191 /nfs/dbraw/zinc/12/41/91/799124191.db2.gz AIYPLDGDWSTCAD-UHFFFAOYSA-N 0 3 301.659 2.270 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CCCC(C)=O ZINC001162696693 799150979 /nfs/dbraw/zinc/15/09/79/799150979.db2.gz YFFIPYBXBOVGPI-UHFFFAOYSA-N 0 3 314.429 2.040 20 30 DEEDHN CSc1ncc(C#N)c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001162757863 799167155 /nfs/dbraw/zinc/16/71/55/799167155.db2.gz DTFHCLOLGUILEB-VIFPVBQESA-N 0 3 310.386 2.429 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)c1ccn(C)c1 ZINC001162769196 799170055 /nfs/dbraw/zinc/17/00/55/799170055.db2.gz JZIASKIPRYAWPE-UHFFFAOYSA-N 0 3 323.440 2.323 20 30 DEEDHN N#Cc1nc(N[C@@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001163220062 799279531 /nfs/dbraw/zinc/27/95/31/799279531.db2.gz KTDZSPUDOLPYTR-SNVBAGLBSA-N 0 3 301.331 2.179 20 30 DEEDHN CC(C)(C)OC(=O)C(C#N)c1nccnc1N1CC(C)(C)C1 ZINC001163726843 799416349 /nfs/dbraw/zinc/41/63/49/799416349.db2.gz ALIPHCMZLYIOAC-LLVKDONJSA-N 0 3 302.378 2.272 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccnc(F)c2)CC1 ZINC001163731039 799418676 /nfs/dbraw/zinc/41/86/76/799418676.db2.gz PIBHBXQWTPCFOO-UHFFFAOYSA-N 0 3 311.788 2.463 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCC1(CNCc2ccccc2C#N)CC1 ZINC001163854020 799446044 /nfs/dbraw/zinc/44/60/44/799446044.db2.gz HZMOKJAKDKLOEW-AWEZNQCLSA-N 0 3 310.401 2.094 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCNCC(=O)Nc1ccc(F)cc1 ZINC001163952863 799463400 /nfs/dbraw/zinc/46/34/00/799463400.db2.gz BTTHNJDXFSXCCE-UHFFFAOYSA-N 0 3 321.396 2.072 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001164223910 799545486 /nfs/dbraw/zinc/54/54/86/799545486.db2.gz XTAAAECDYCGVGU-LSDHHAIUSA-N 0 3 318.465 2.274 20 30 DEEDHN C#CCCCC(=O)NCCC1(CN[C@@H](C)c2cnccn2)CC1 ZINC001164297926 799563951 /nfs/dbraw/zinc/56/39/51/799563951.db2.gz VNNJRMJGLFWUGB-HNNXBMFYSA-N 0 3 314.433 2.217 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2nccn2CC)CC1 ZINC001164329577 799574486 /nfs/dbraw/zinc/57/44/86/799574486.db2.gz QIHUYUVXPGFYFI-UHFFFAOYSA-N 0 3 310.829 2.145 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C3CC3)no1)C2 ZINC001095521399 799645771 /nfs/dbraw/zinc/64/57/71/799645771.db2.gz XLLABDHFEYKLNT-COXVUDFISA-N 0 3 315.417 2.392 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2cnc(C)o2)CC1 ZINC001165450086 799733853 /nfs/dbraw/zinc/73/38/53/799733853.db2.gz YCMVYIJFYIDOFU-UHFFFAOYSA-N 0 3 311.813 2.154 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2nccn2CC)CCC1 ZINC001165998373 799811769 /nfs/dbraw/zinc/81/17/69/799811769.db2.gz SUWNOYGQIUEHHI-UHFFFAOYSA-N 0 3 304.438 2.245 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)COC)CC1 ZINC001166159737 799836237 /nfs/dbraw/zinc/83/62/37/799836237.db2.gz YKSFDPZBIBIWEG-UHFFFAOYSA-N 0 3 302.846 2.288 20 30 DEEDHN C=CC(=NCOC)NCCn1nc(C)c(Br)c1C ZINC001166528463 799882623 /nfs/dbraw/zinc/88/26/23/799882623.db2.gz JTZHDSMRTZPEOP-UHFFFAOYSA-N 0 3 315.215 2.040 20 30 DEEDHN CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CCCCC#N)C1 ZINC000932692707 799895221 /nfs/dbraw/zinc/89/52/21/799895221.db2.gz JRVKVXGKALGYBM-INIZCTEOSA-N 0 3 311.426 2.032 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)C2(CF)CCC2)c1 ZINC001166974283 799995104 /nfs/dbraw/zinc/99/51/04/799995104.db2.gz HPTPTBMCKFRHON-UHFFFAOYSA-N 0 3 321.371 2.433 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CC2=CCOCC2)CC1 ZINC001167044991 800015372 /nfs/dbraw/zinc/01/53/72/800015372.db2.gz PURMWTKPVZOLIO-UHFFFAOYSA-N 0 3 312.841 2.352 20 30 DEEDHN Cc1cc(CN2CCC(CN3CCNC3=O)CC2)ccc1C#N ZINC000933579580 800129466 /nfs/dbraw/zinc/12/94/66/800129466.db2.gz HGMNAQJBUXCGOI-UHFFFAOYSA-N 0 3 312.417 2.104 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cccc(=O)[nH]1)CC2 ZINC001207068822 800672791 /nfs/dbraw/zinc/67/27/91/800672791.db2.gz PPHROVJBDBZWBD-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN(CCN1C[C@H]2OC[C@@H](C)[C@H]2C1)C(=O)OC(C)(C)C ZINC001207203522 800708769 /nfs/dbraw/zinc/70/87/69/800708769.db2.gz HDSULXHBAMBODA-RBSFLKMASA-N 0 3 310.438 2.376 20 30 DEEDHN C=CCN1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211135 800709543 /nfs/dbraw/zinc/70/95/43/800709543.db2.gz NAKVPPHTXNSAJJ-HNNXBMFYSA-N 0 3 309.454 2.047 20 30 DEEDHN Cc1nocc1CNC1(CNC(=O)[C@H](C)C#N)CCCCC1 ZINC001115451610 800809038 /nfs/dbraw/zinc/80/90/38/800809038.db2.gz AEONRCSLKODDGD-GFCCVEGCSA-N 0 3 304.394 2.051 20 30 DEEDHN C=CC1(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CCCCC1 ZINC000935981554 800819101 /nfs/dbraw/zinc/81/91/01/800819101.db2.gz QMUDRDRAFAOVPW-HZPDHXFCSA-N 0 3 306.450 2.181 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H](NCc2cccnc2)C1 ZINC001207758686 800825362 /nfs/dbraw/zinc/82/53/62/800825362.db2.gz FEMPUHJTGFWTOP-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1ccnc1C)C2 ZINC001111150877 800850293 /nfs/dbraw/zinc/85/02/93/800850293.db2.gz WSDQXXSZKDXGAM-ZACQAIPSSA-N 0 3 316.449 2.269 20 30 DEEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnon1)C2 ZINC001111170307 800858520 /nfs/dbraw/zinc/85/85/20/800858520.db2.gz JRHVUAFUBJSZRO-NFAWXSAZSA-N 0 3 304.394 2.151 20 30 DEEDHN N#CCCN1CCN(CC2(c3ccccc3)CCOCC2)CC1 ZINC001208226166 800933821 /nfs/dbraw/zinc/93/38/21/800933821.db2.gz BMYZKAWQVBQPOX-UHFFFAOYSA-N 0 3 313.445 2.266 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001208258328 800942711 /nfs/dbraw/zinc/94/27/11/800942711.db2.gz HIDQRPQLCOLCMJ-KGLIPLIRSA-N 0 3 319.453 2.365 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001208307052 800949736 /nfs/dbraw/zinc/94/97/36/800949736.db2.gz VUEYVVNENUFGLH-IXDOHACOSA-N 0 3 306.450 2.372 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)CCOCC1 ZINC001208311813 800950005 /nfs/dbraw/zinc/95/00/05/800950005.db2.gz FVBFTWRWCJOFGA-HOTGVXAUSA-N 0 3 324.440 2.135 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001208388065 800973674 /nfs/dbraw/zinc/97/36/74/800973674.db2.gz GDFMCGMLZSBALL-ZMSDIMECSA-N 0 3 318.465 2.001 20 30 DEEDHN CCOC(=O)[C@@H]1CN(CCCc2ccc(C#N)cc2)CCS1 ZINC001208863775 801080758 /nfs/dbraw/zinc/08/07/58/801080758.db2.gz FAIQOHUKLRBHCQ-INIZCTEOSA-N 0 3 318.442 2.471 20 30 DEEDHN O=C(CCCF)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209087273 801126795 /nfs/dbraw/zinc/12/67/95/801126795.db2.gz VDTWFRVVYZMSCZ-QGZVFWFLSA-N 0 3 302.393 2.368 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001209146530 801135446 /nfs/dbraw/zinc/13/54/46/801135446.db2.gz PHAOVUNABLSBMD-ZBFHGGJFSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001209146529 801135935 /nfs/dbraw/zinc/13/59/35/801135935.db2.gz PHAOVUNABLSBMD-HOCLYGCPSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCCCN1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001209422519 801190819 /nfs/dbraw/zinc/19/08/19/801190819.db2.gz DGXHMJBVYPRABL-LZLYRXPVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001209454710 801195002 /nfs/dbraw/zinc/19/50/02/801195002.db2.gz NLVMBGYIKYKYMJ-YJBOKZPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)c1 ZINC001209561140 801218934 /nfs/dbraw/zinc/21/89/34/801218934.db2.gz JTGPFSWJYWRISL-HOTGVXAUSA-N 0 3 303.381 2.005 20 30 DEEDHN N/N=C/c1ccccc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001229293035 801251686 /nfs/dbraw/zinc/25/16/86/801251686.db2.gz FKXRKJSVVFGJQM-NBCQJAOXSA-N 0 3 303.406 2.001 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cnccc1N)CC2 ZINC001209730121 801265722 /nfs/dbraw/zinc/26/57/22/801265722.db2.gz FXKRKCHRDYLDQR-SFHVURJKSA-N 0 3 314.433 2.027 20 30 DEEDHN CC#CCN1CCC(NC(=O)CCn2ccnc2C(C)C)CC1 ZINC001229469241 801281371 /nfs/dbraw/zinc/28/13/71/801281371.db2.gz RVPRDYFREKEEEB-UHFFFAOYSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC001209866635 801298761 /nfs/dbraw/zinc/29/87/61/801298761.db2.gz STKFAYOFYVIKKT-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)N(C)C)C1 ZINC001210206111 801350779 /nfs/dbraw/zinc/35/07/79/801350779.db2.gz IYZQRSJYPKIICO-SZVBFZGTSA-N 0 3 315.461 2.086 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001210710041 801450345 /nfs/dbraw/zinc/45/03/45/801450345.db2.gz SLGUZWHZQDGJLW-RHSMWYFYSA-N 0 3 320.408 2.007 20 30 DEEDHN C#CCCN(CCCNC(=O)c1ccccn1)Cc1cccnc1 ZINC001230653078 801451633 /nfs/dbraw/zinc/45/16/33/801451633.db2.gz OJULOGPFNVZYSK-UHFFFAOYSA-N 0 3 322.412 2.122 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001230696905 801464985 /nfs/dbraw/zinc/46/49/85/801464985.db2.gz FWQIHGOFIVDXCF-ZBFHGGJFSA-N 0 3 311.470 2.014 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@H](C)COC)Cc1cccnc1 ZINC001230710426 801470408 /nfs/dbraw/zinc/47/04/08/801470408.db2.gz YUVKNGZBUZJYRM-MRXNPFEDSA-N 0 3 319.449 2.249 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001210931793 801488481 /nfs/dbraw/zinc/48/84/81/801488481.db2.gz YFSDOHALSDPDTJ-CZUORRHYSA-N 0 3 306.381 2.217 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)COc2ccccc2)C1 ZINC001211053977 801506320 /nfs/dbraw/zinc/50/63/20/801506320.db2.gz FGAHFYJZBWWTTJ-BFYDXBDKSA-N 0 3 302.418 2.324 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@H]1CC12CC2)Cc1cccnc1 ZINC001230859658 801513681 /nfs/dbraw/zinc/51/36/81/801513681.db2.gz JPCJARPZUUUHSC-QGZVFWFLSA-N 0 3 311.429 2.213 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCO)C[C@H]2C)CCCCC1 ZINC001211234872 801534742 /nfs/dbraw/zinc/53/47/42/801534742.db2.gz ANIWYMAJIVEVCS-HZPDHXFCSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001211376635 801556243 /nfs/dbraw/zinc/55/62/43/801556243.db2.gz MJVFJPKVQDNSKC-QEFFHFBBSA-N 0 3 320.477 2.452 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cnn(C)c1 ZINC001231113166 801582568 /nfs/dbraw/zinc/58/25/68/801582568.db2.gz GGXCEWFGEBYDHC-QGZVFWFLSA-N 0 3 320.481 2.466 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2c[nH]cc2C)[C@H](OC)C1 ZINC001213857156 801648831 /nfs/dbraw/zinc/64/88/31/801648831.db2.gz GQRPNIXPQCATCV-IAGOWNOFSA-N 0 3 319.449 2.499 20 30 DEEDHN Cc1ocnc1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214245203 801691292 /nfs/dbraw/zinc/69/12/92/801691292.db2.gz ISMITVKEZADMQF-RHSMWYFYSA-N 0 3 323.396 2.085 20 30 DEEDHN COC(=O)CC[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC001231620119 801697057 /nfs/dbraw/zinc/69/70/57/801697057.db2.gz PLFFMXBJWWYDMW-CYBMUJFWSA-N 0 3 302.374 2.342 20 30 DEEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCC2(C1)OCCO2 ZINC001231620405 801697209 /nfs/dbraw/zinc/69/72/09/801697209.db2.gz ACWHIJVIUQYWRB-HNNXBMFYSA-N 0 3 302.374 2.294 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001214285754 801699440 /nfs/dbraw/zinc/69/94/40/801699440.db2.gz MMFWMYUWWMQXTG-VNHYZAJKSA-N 0 3 323.462 2.061 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001214743677 801756044 /nfs/dbraw/zinc/75/60/44/801756044.db2.gz IZEWEVYWFGRESB-BZUAXINKSA-N 0 3 323.481 2.035 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC001232924319 801985197 /nfs/dbraw/zinc/98/51/97/801985197.db2.gz YOEUCCUGXCPENE-IBGZPJMESA-N 0 3 324.428 2.178 20 30 DEEDHN N#Cc1ccc(F)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001216953480 802038754 /nfs/dbraw/zinc/03/87/54/802038754.db2.gz WGKRFGONVXODDJ-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3ccoc3)[C@H]2C1 ZINC001217275223 802063792 /nfs/dbraw/zinc/06/37/92/802063792.db2.gz FAAPLERNOLFYHJ-VNQPRFMTSA-N 0 3 304.390 2.160 20 30 DEEDHN C=CCN(Cc1ccc(OC)c(S(N)(=O)=O)c1)C(C)(C)C ZINC001233305142 802070506 /nfs/dbraw/zinc/07/05/06/802070506.db2.gz RWWRAUDDXGBPNX-UHFFFAOYSA-N 0 3 312.435 2.129 20 30 DEEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)C#N)[C@H]2C1 ZINC001217555393 802084907 /nfs/dbraw/zinc/08/49/07/802084907.db2.gz VLDQLMWZUZPBSX-HRCADAONSA-N 0 3 307.438 2.028 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccoc3CC)[C@H]2C1 ZINC001217744368 802109255 /nfs/dbraw/zinc/10/92/55/802109255.db2.gz PKZHUXZYFPEKNK-DOTOQJQBSA-N 0 3 318.417 2.333 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C3C=CC=CC=C3)[C@H]2C1 ZINC001218032594 802133923 /nfs/dbraw/zinc/13/39/23/802133923.db2.gz STWJXHBHLYQIRI-ZWKOTPCHSA-N 0 3 314.429 2.163 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H]2CN(CCCC)C[C@@H]21 ZINC001218455887 802185618 /nfs/dbraw/zinc/18/56/18/802185618.db2.gz UQWXDPQYQHJNJP-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233762190 802200603 /nfs/dbraw/zinc/20/06/03/802200603.db2.gz QSAIBKFEVUFXIC-HZPDHXFCSA-N 0 3 321.469 2.342 20 30 DEEDHN N#Cc1cnc(NC(=O)[C@@H](N)CC2CCC2)c(Br)c1 ZINC001218551937 802204141 /nfs/dbraw/zinc/20/41/41/802204141.db2.gz LGTMAZUUZQTNKP-NSHDSACASA-N 0 3 323.194 2.172 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC1OCCCO1 ZINC001233914645 802240755 /nfs/dbraw/zinc/24/07/55/802240755.db2.gz CQZXZHVRVIYUHF-INIZCTEOSA-N 0 3 324.465 2.419 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001233939194 802246814 /nfs/dbraw/zinc/24/68/14/802246814.db2.gz ZCSHYFDTVAIYFB-PBHICJAKSA-N 0 3 322.474 2.150 20 30 DEEDHN N#Cc1cccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)c1 ZINC001233944087 802248466 /nfs/dbraw/zinc/24/84/66/802248466.db2.gz VCTCJCJFFCGCCU-KRWDZBQOSA-N 0 3 306.369 2.488 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001234060561 802283507 /nfs/dbraw/zinc/28/35/07/802283507.db2.gz SDMADSHFYQEPNA-HNNXBMFYSA-N 0 3 319.453 2.191 20 30 DEEDHN C#Cc1ccc(NC(=O)[C@H](N)CCC(=O)OC(C)(C)C)cc1F ZINC001219383811 802320314 /nfs/dbraw/zinc/32/03/14/802320314.db2.gz CLKQPMZILDYGAT-CQSZACIVSA-N 0 3 320.364 2.195 20 30 DEEDHN CN(C[C@H]1CCN1C[C@@H]1CCC(F)(F)C1)C(=O)C#CC1CC1 ZINC001234187198 802320696 /nfs/dbraw/zinc/32/06/96/802320696.db2.gz VGOARNCWLGOYJK-HUUCEWRRSA-N 0 3 310.388 2.368 20 30 DEEDHN CO[C@H](CN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C)C1CCC1 ZINC001234216201 802327286 /nfs/dbraw/zinc/32/72/86/802327286.db2.gz VCNAIZYWUFCYGZ-IAGOWNOFSA-N 0 3 320.477 2.384 20 30 DEEDHN CCO[C@H](CN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C)C1CC1 ZINC001234216189 802327961 /nfs/dbraw/zinc/32/79/61/802327961.db2.gz UXKZKFFWASUSND-IAGOWNOFSA-N 0 3 320.477 2.384 20 30 DEEDHN CO[C@@H](CN)C(=O)Nc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001219483207 802336780 /nfs/dbraw/zinc/33/67/80/802336780.db2.gz QRQAEXAMWANVCP-AWEZNQCLSA-N 0 3 324.884 2.481 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001234322454 802351033 /nfs/dbraw/zinc/35/10/33/802351033.db2.gz IJWRBCVHXHSIGT-GJZGRUSLSA-N 0 3 316.449 2.329 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CN(CC2CCC(C)(C)CC2)C[C@@H]1O ZINC001219582789 802351654 /nfs/dbraw/zinc/35/16/54/802351654.db2.gz DVPHARKKCNTASX-SJORKVTESA-N 0 3 320.477 2.024 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)CC ZINC001234490107 802393261 /nfs/dbraw/zinc/39/32/61/802393261.db2.gz OYVSTPMOMQPNBJ-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H](O)C1 ZINC001220042755 802405434 /nfs/dbraw/zinc/40/54/34/802405434.db2.gz MYUIAJMANKZJRH-XLMAVXFVSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCc2ccccc2)[C@@H](O)C1 ZINC001220267203 802436149 /nfs/dbraw/zinc/43/61/49/802436149.db2.gz ZBOAWUHUKWEFJU-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001220430396 802459332 /nfs/dbraw/zinc/45/93/32/802459332.db2.gz VFDJVURIWFIMKF-JQHSSLGASA-N 0 3 316.445 2.226 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220470152 802464716 /nfs/dbraw/zinc/46/47/16/802464716.db2.gz UIUGCFXKUOCVTO-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001220564848 802475311 /nfs/dbraw/zinc/47/53/11/802475311.db2.gz IQDLASIAQNTZJN-XYPHTWIQSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001220740590 802492384 /nfs/dbraw/zinc/49/23/84/802492384.db2.gz KDNBYYGRGNIFRA-OLZOCXBDSA-N 0 3 323.462 2.008 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1O)c1ccccc1 ZINC001221029012 802521161 /nfs/dbraw/zinc/52/11/61/802521161.db2.gz ISIAXFVMWRRTRO-KSZLIROESA-N 0 3 316.445 2.164 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221443145 802574333 /nfs/dbraw/zinc/57/43/33/802574333.db2.gz OHVZIIUHHKXBRW-GDBMZVCRSA-N 0 3 320.458 2.026 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001222636068 802720140 /nfs/dbraw/zinc/72/01/40/802720140.db2.gz HTLWMLMDOIEYNR-CYBMUJFWSA-N 0 3 303.381 2.314 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCO[C@H](C)CC(C)C)C[C@@H]21 ZINC001222676207 802727085 /nfs/dbraw/zinc/72/70/85/802727085.db2.gz WEDCQNAJOHEJPL-KURKYZTESA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(COC)CCCC3)C[C@@H]21 ZINC001222848788 802744648 /nfs/dbraw/zinc/74/46/48/802744648.db2.gz NGTRDZFCFJZADZ-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN N#Cc1cccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)n1 ZINC001223062673 802762916 /nfs/dbraw/zinc/76/29/16/802762916.db2.gz MJZRYFXYYYXBNF-CALCHBBNSA-N 0 3 301.390 2.113 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]2CCN(CC#CC)[C@H]2C1 ZINC001223201014 802772915 /nfs/dbraw/zinc/77/29/15/802772915.db2.gz XAWSHNYYEXOZII-AOIWGVFYSA-N 0 3 318.461 2.161 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC001223479991 802793794 /nfs/dbraw/zinc/79/37/94/802793794.db2.gz KDWMVBUDVHXTJN-UHFFFAOYSA-N 0 3 310.441 2.471 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(CC#N)cc3)C[C@H]1N2C ZINC001225264647 802948159 /nfs/dbraw/zinc/94/81/59/802948159.db2.gz BGDYESALXSZFHJ-OWLYRPNTSA-N 0 3 314.385 2.298 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)CCC ZINC001225283343 802950632 /nfs/dbraw/zinc/95/06/32/802950632.db2.gz JLKDSEQEVNBDHM-BZUAXINKSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C#N ZINC001225394813 802960480 /nfs/dbraw/zinc/96/04/80/802960480.db2.gz DNWMNJYNSNCACJ-VCTAVGKDSA-N 0 3 320.462 2.437 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C=C(CC)CC ZINC001225656175 802997530 /nfs/dbraw/zinc/99/75/30/802997530.db2.gz CDQSHBFDDGMNEE-HZPDHXFCSA-N 0 3 321.465 2.052 20 30 DEEDHN COCCN1CCC(Oc2nc(C3CC3)ccc2C#N)CC1 ZINC001226262502 803080598 /nfs/dbraw/zinc/08/05/98/803080598.db2.gz OQNOMCNONNXANM-UHFFFAOYSA-N 0 3 301.390 2.320 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)CC ZINC001226442031 803109154 /nfs/dbraw/zinc/10/91/54/803109154.db2.gz PSZDFIMOTHHVQS-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1CC ZINC001226532332 803120278 /nfs/dbraw/zinc/12/02/78/803120278.db2.gz BVNDGSXXGYUVQO-HZPDHXFCSA-N 0 3 319.453 2.171 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCC ZINC001226533027 803121254 /nfs/dbraw/zinc/12/12/54/803121254.db2.gz NWPMPWRTCXFAQH-HZPDHXFCSA-N 0 3 323.481 2.276 20 30 DEEDHN C=CCOCC(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001226599090 803129230 /nfs/dbraw/zinc/12/92/30/803129230.db2.gz PZPMCZHALLORFG-UHFFFAOYSA-N 0 3 320.408 2.417 20 30 DEEDHN C#CCC1(C(=O)NC2CCN(CCOC3CCC3)CC2)CCC1 ZINC001227754348 803276188 /nfs/dbraw/zinc/27/61/88/803276188.db2.gz KYTLLCNFAIXYMG-UHFFFAOYSA-N 0 3 318.461 2.330 20 30 DEEDHN COCCN1CCC(Oc2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC001227875342 803290093 /nfs/dbraw/zinc/29/00/93/803290093.db2.gz PKDYZRVTBLZUPX-UHFFFAOYSA-N 0 3 323.324 2.095 20 30 DEEDHN C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001228136879 803323352 /nfs/dbraw/zinc/32/33/52/803323352.db2.gz CVWSIOXLULENGQ-ZIAGYGMSSA-N 0 3 318.421 2.087 20 30 DEEDHN C=CCONC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001228437028 803360407 /nfs/dbraw/zinc/36/04/07/803360407.db2.gz MZBCMTBDCPMRED-CVEARBPZSA-N 0 3 301.390 2.020 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(CCOCC2CC2)CC1(C)C ZINC001328081115 1148716184 /nfs/dbraw/zinc/71/61/84/1148716184.db2.gz JIMIBJXCVXXRIE-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H](C)NCc2cnc(C)nc2)cc1 ZINC001331516525 1149499219 /nfs/dbraw/zinc/49/92/19/1149499219.db2.gz ANZPCQHACOTQGR-CQSZACIVSA-N 0 3 322.412 2.017 20 30 DEEDHN C=CCCCC(=O)N1CCN(C2CN(CCC(=C)C)C2)CC1 ZINC001328128347 1148726996 /nfs/dbraw/zinc/72/69/96/1148726996.db2.gz DQERXNZVQJXCJD-UHFFFAOYSA-N 0 3 305.466 2.137 20 30 DEEDHN C=C[C@H](O)c1nnc(N2CCN([C@H](C)CC)CC2)n1CC(C)C ZINC001342994405 1150647431 /nfs/dbraw/zinc/64/74/31/1150647431.db2.gz RKVAWJIRIHWDQN-CABCVRRESA-N 0 3 321.469 2.074 20 30 DEEDHN C=C[C@@H](O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)C ZINC001343644677 1150759438 /nfs/dbraw/zinc/75/94/38/1150759438.db2.gz KZWQFLZNRSWGRR-CQSZACIVSA-N 0 3 321.469 2.074 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001574972791 1069317764 /nfs/dbraw/zinc/31/77/64/1069317764.db2.gz QNQDHGNGHVSHIQ-GFCCVEGCSA-N 0 3 320.261 2.341 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)C(C)(C)N(C)CC ZINC001344164782 1150805205 /nfs/dbraw/zinc/80/52/05/1150805205.db2.gz MKJOZTSABSFDSM-HNNXBMFYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@H]1C ZINC001345373539 1150885551 /nfs/dbraw/zinc/88/55/51/1150885551.db2.gz FMCQZYLJFRVYTR-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)CN(C)CC(C)(C)C ZINC001368406271 1148435868 /nfs/dbraw/zinc/43/58/68/1148435868.db2.gz YWLXGUVBZYNDTP-CQSZACIVSA-N 0 3 315.889 2.250 20 30 DEEDHN Cc1cccc(C)c1OC[C@H](O)CNCC#C[C@@H]1CCCCO1 ZINC001346379010 1150977631 /nfs/dbraw/zinc/97/76/31/1150977631.db2.gz TWCIIBIMPXCCAC-MSOLQXFVSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cn[nH]n1 ZINC001575065021 1069353956 /nfs/dbraw/zinc/35/39/56/1069353956.db2.gz COQSCNSAWSFHMS-ZFWWWQNUSA-N 0 3 319.453 2.124 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNCc1c[nH]nn1 ZINC001575065021 1069353974 /nfs/dbraw/zinc/35/39/74/1069353974.db2.gz COQSCNSAWSFHMS-ZFWWWQNUSA-N 0 3 319.453 2.124 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CNCc1c[nH]nn1)C1CCCC1 ZINC001575065480 1069354099 /nfs/dbraw/zinc/35/40/99/1069354099.db2.gz IKKPGQZORQMAQL-HNNXBMFYSA-N 0 3 319.453 2.172 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001522859824 1069487972 /nfs/dbraw/zinc/48/79/72/1069487972.db2.gz XVYOTZMIZSSFDX-WOPDTQHZSA-N 0 3 321.343 2.014 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)OC ZINC001328463908 1148799359 /nfs/dbraw/zinc/79/93/59/1148799359.db2.gz LIMQUPMNFBXURV-YOEHRIQHSA-N 0 3 302.418 2.313 20 30 DEEDHN CC(C)CN1CCOC2(CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001328485938 1148801998 /nfs/dbraw/zinc/80/19/98/1148801998.db2.gz RGRFAKXGCYXJMS-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CCN(CCCCCNC(=O)C2=CCCC2)CC1 ZINC001328499579 1148802640 /nfs/dbraw/zinc/80/26/40/1148802640.db2.gz HIYSBKUTTMUNHI-UHFFFAOYSA-N 0 3 317.477 2.024 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccc(C(=O)OC)cc21 ZINC001523487643 1069674366 /nfs/dbraw/zinc/67/43/66/1069674366.db2.gz MSEBYQYTYLDMAK-AWEZNQCLSA-N 0 3 302.374 2.046 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001328501997 1148803415 /nfs/dbraw/zinc/80/34/15/1148803415.db2.gz VHXBUARNGZHWIV-PIIMJCKOSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCC1(O)CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC001602818139 1069765267 /nfs/dbraw/zinc/76/52/67/1069765267.db2.gz DDDBMSPNFBYPDZ-UHFFFAOYSA-N 0 3 313.405 2.078 20 30 DEEDHN C=CCC1(O)CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC001602818139 1069765276 /nfs/dbraw/zinc/76/52/76/1069765276.db2.gz DDDBMSPNFBYPDZ-UHFFFAOYSA-N 0 3 313.405 2.078 20 30 DEEDHN C=CCC1([NH2+]C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602818083 1069766338 /nfs/dbraw/zinc/76/63/38/1069766338.db2.gz ATGMKUBVTWGGEU-OAHLLOKOSA-N 0 3 313.405 2.379 20 30 DEEDHN C=CCC1([NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818083 1069766341 /nfs/dbraw/zinc/76/63/41/1069766341.db2.gz ATGMKUBVTWGGEU-OAHLLOKOSA-N 0 3 313.405 2.379 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC001524256222 1069878553 /nfs/dbraw/zinc/87/85/53/1069878553.db2.gz ILUCLHTUTRFCNY-LLVKDONJSA-N 0 3 316.748 2.308 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001328558357 1148809933 /nfs/dbraw/zinc/80/99/33/1148809933.db2.gz KULSDWPMQFZDJV-MRXNPFEDSA-N 0 3 308.466 2.025 20 30 DEEDHN COCCOc1cc(C(=O)C(C#N)c2cccc(F)n2)ccn1 ZINC001524711435 1070022066 /nfs/dbraw/zinc/02/20/66/1070022066.db2.gz AFMSTJUJVHXFTO-LBPRGKRZSA-N 0 3 315.304 2.131 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001526567101 1070310964 /nfs/dbraw/zinc/31/09/64/1070310964.db2.gz LGDZXLKCZBJICR-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccn2c(C)cnc2c1 ZINC001328735434 1148830077 /nfs/dbraw/zinc/83/00/77/1148830077.db2.gz ARTZKBJPGKJYCG-MRXNPFEDSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)C(=O)CN1CCC[C@H]1C ZINC001529086509 1070844665 /nfs/dbraw/zinc/84/46/65/1070844665.db2.gz UCFXHBYXCNKQFF-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2cnn(C)c2C)cc1 ZINC001351284451 1151511069 /nfs/dbraw/zinc/51/10/69/1151511069.db2.gz RVWRGDHRAZWIFQ-CYBMUJFWSA-N 0 3 310.401 2.389 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001531883659 1071591750 /nfs/dbraw/zinc/59/17/50/1071591750.db2.gz BAUJRVAGWDRLDE-ZOBUZTSGSA-N 0 3 323.481 2.082 20 30 DEEDHN Cc1ncsc1CNC[C@@H]1CCCN1C(=O)C#CC(C)C ZINC001499892737 1058350808 /nfs/dbraw/zinc/35/08/08/1058350808.db2.gz YIDOWTGQQOJIBG-AWEZNQCLSA-N 0 3 305.447 2.192 20 30 DEEDHN C=CCCCCCN1CC[C@@](C)(NC(=O)c2cnns2)C1 ZINC001500182390 1058559254 /nfs/dbraw/zinc/55/92/54/1058559254.db2.gz BQPLKCXGKDNKMG-OAHLLOKOSA-N 0 3 308.451 2.479 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001500441206 1058787411 /nfs/dbraw/zinc/78/74/11/1058787411.db2.gz AYJVMSITVAQUFD-IBGZPJMESA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)Cc2cccc(F)c2F)CC1 ZINC001500447951 1058793161 /nfs/dbraw/zinc/79/31/61/1058793161.db2.gz DUGMHIQEQAIABS-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001500489070 1058845344 /nfs/dbraw/zinc/84/53/44/1058845344.db2.gz NIIXCWJTTHQYQA-FUHWJXTLSA-N 0 3 306.450 2.187 20 30 DEEDHN CCOC(=O)[C@]12CCC[C@H]1C[C@H](NCC1(C#N)CCOCC1)C2 ZINC001462656086 1058873088 /nfs/dbraw/zinc/87/30/88/1058873088.db2.gz SRCLXJAAWVJQGL-MPGHIAIKSA-N 0 3 320.433 2.408 20 30 DEEDHN C=C[C@@H](C(=O)NCC1(NCCF)CCOCC1)c1ccccc1 ZINC001500600345 1058948138 /nfs/dbraw/zinc/94/81/38/1058948138.db2.gz FFCYVPVUKFGUMO-MRXNPFEDSA-N 0 3 320.408 2.181 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)OCC)C2)CC1 ZINC001501016632 1059205373 /nfs/dbraw/zinc/20/53/73/1059205373.db2.gz YVADHLRDYQUYRJ-QZTJIDSGSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ncccn1)c1ccccc1CC ZINC001501023179 1059210135 /nfs/dbraw/zinc/21/01/35/1059210135.db2.gz UQKYJHJXRBITFK-KRWDZBQOSA-N 0 3 322.412 2.123 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)NCc2nccs2)C1 ZINC001501090364 1059276062 /nfs/dbraw/zinc/27/60/62/1059276062.db2.gz BOQJELGLYFKXEA-ZIAGYGMSSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001501090362 1059276165 /nfs/dbraw/zinc/27/61/65/1059276165.db2.gz BOQJELGLYFKXEA-KGLIPLIRSA-N 0 3 323.462 2.062 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cncs1 ZINC001501161534 1059337446 /nfs/dbraw/zinc/33/74/46/1059337446.db2.gz XHVKZFGSTHSXIT-YIYPIFLZSA-N 0 3 318.446 2.162 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1C ZINC001501374737 1059476678 /nfs/dbraw/zinc/47/66/78/1059476678.db2.gz VWBPXGAYCIQHPB-IAGOWNOFSA-N 0 3 318.417 2.470 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)CC(C)(C)C1CCCCC1 ZINC001501505834 1059519214 /nfs/dbraw/zinc/51/92/14/1059519214.db2.gz DLUCXNKZDFDSDH-UHFFFAOYSA-N 0 3 322.493 2.417 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)[C@H](C)COC)C1 ZINC001368575000 1148503204 /nfs/dbraw/zinc/50/32/04/1148503204.db2.gz SNCXLJDNWQTYTK-FMKGYKFTSA-N 0 3 302.846 2.142 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)CC ZINC001501857002 1059742061 /nfs/dbraw/zinc/74/20/61/1059742061.db2.gz XGJVVOOTAGZUEZ-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(C)c3cccnc23)CCC1 ZINC001501984413 1059834880 /nfs/dbraw/zinc/83/48/80/1059834880.db2.gz MVQNVKPPXAYPEO-UHFFFAOYSA-N 0 3 307.397 2.419 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H](CNCc2ccsc2)C1 ZINC001502056092 1059904274 /nfs/dbraw/zinc/90/42/74/1059904274.db2.gz PXVQFPBOCJFFBB-OAHLLOKOSA-N 0 3 308.447 2.421 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001502099889 1059928801 /nfs/dbraw/zinc/92/88/01/1059928801.db2.gz RXUWAQOPKHWZAK-RPDKKYPRSA-N 0 3 305.466 2.137 20 30 DEEDHN C=C(C)C[NH2+]C1(CC)CCN(C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001502504729 1060157444 /nfs/dbraw/zinc/15/74/44/1060157444.db2.gz JEWIUPFUJVCUQW-UHFFFAOYSA-N 0 3 318.421 2.041 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCN(C(=O)C1=CCCC1)C2 ZINC001502540574 1060171578 /nfs/dbraw/zinc/17/15/78/1060171578.db2.gz DUQFNYYBHLOFNW-IBGZPJMESA-N 0 3 316.445 2.061 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001502711742 1060240836 /nfs/dbraw/zinc/24/08/36/1060240836.db2.gz GLWAPXFFRFIHQE-DZGCQCFKSA-N 0 3 319.836 2.475 20 30 DEEDHN C[C@H]1CN(C(=O)Cc2ccoc2)C[C@H]1NCC#Cc1ccccc1 ZINC001502713491 1060241306 /nfs/dbraw/zinc/24/13/06/1060241306.db2.gz ZYLOHPYFNGYJQZ-QFBILLFUSA-N 0 3 322.408 2.310 20 30 DEEDHN COc1ncc(NC(=O)c2cccc(CN(C)C)c2)cc1C#N ZINC001471782040 1060293403 /nfs/dbraw/zinc/29/34/03/1060293403.db2.gz WTJAEEPOPQZRRV-UHFFFAOYSA-N 0 3 310.357 2.276 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2conc2C)C(C)(C)C1 ZINC001502831838 1060340233 /nfs/dbraw/zinc/34/02/33/1060340233.db2.gz GCCSIXDOKLTJFK-OAHLLOKOSA-N 0 3 321.421 2.016 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)OCC ZINC001505413431 1060551627 /nfs/dbraw/zinc/55/16/27/1060551627.db2.gz DFADBUNNFBLCLK-KZNAEPCWSA-N 0 3 314.429 2.197 20 30 DEEDHN CCOCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001505573797 1060726876 /nfs/dbraw/zinc/72/68/76/1060726876.db2.gz DZINTZBRIQTBQP-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001505907709 1061116550 /nfs/dbraw/zinc/11/65/50/1061116550.db2.gz JSZIYPGZQZZNDB-HNNXBMFYSA-N 0 3 324.428 2.456 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cnn2cccc(Cl)c12 ZINC001505959195 1061177505 /nfs/dbraw/zinc/17/75/05/1061177505.db2.gz KECBFGZFQQYMEG-LLVKDONJSA-N 0 3 306.797 2.224 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001479243306 1061318426 /nfs/dbraw/zinc/31/84/26/1061318426.db2.gz CECQYZIBHGOCOI-JKSUJKDBSA-N 0 3 317.433 2.348 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001479392839 1061436537 /nfs/dbraw/zinc/43/65/37/1061436537.db2.gz IMQODVUHAZQLCW-XUXIUFHCSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001329086956 1148863873 /nfs/dbraw/zinc/86/38/73/1148863873.db2.gz RAGRLEYPPHGGDB-KGLIPLIRSA-N 0 3 313.376 2.302 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1ncc[nH]1 ZINC001479523667 1061492016 /nfs/dbraw/zinc/49/20/16/1061492016.db2.gz AWCLQBIOVCUDGC-TZMCWYRMSA-N 0 3 324.856 2.312 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001479662252 1061577955 /nfs/dbraw/zinc/57/79/55/1061577955.db2.gz YPIOHNKNTORCKJ-SFHVURJKSA-N 0 3 316.445 2.388 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCCC3(F)F)C2)C1 ZINC001479758787 1061696282 /nfs/dbraw/zinc/69/62/82/1061696282.db2.gz BLWUVTXZXOAYBI-AWEZNQCLSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN(CCCNC(=O)C1(COC)CCCCC1)C1CC1 ZINC001479869701 1061963715 /nfs/dbraw/zinc/96/37/15/1061963715.db2.gz GLDVSUUPGIFTQT-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001479902231 1062013933 /nfs/dbraw/zinc/01/39/33/1062013933.db2.gz CKZMGGSSGLHDMJ-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@](C)(CNC(=O)CN(CC)CC)C1 ZINC001506563386 1062137132 /nfs/dbraw/zinc/13/71/32/1062137132.db2.gz CYYQJBRKNRXKHX-SFHVURJKSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC12CCN(CC#CC)CC2 ZINC001479984154 1062145829 /nfs/dbraw/zinc/14/58/29/1062145829.db2.gz PEQHVGBOQOTTDA-SJLPKXTDSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cc1c[nH]c2cnccc12 ZINC001506571521 1062146634 /nfs/dbraw/zinc/14/66/34/1062146634.db2.gz HJURYJPBYRGUJP-INIZCTEOSA-N 0 3 324.428 2.099 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CC(F)(F)C(F)F ZINC001506576635 1062149649 /nfs/dbraw/zinc/14/96/49/1062149649.db2.gz UHLIJUUUWGWOCU-NSHDSACASA-N 0 3 308.319 2.271 20 30 DEEDHN CC[C@@H](OC)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001480009593 1062178378 /nfs/dbraw/zinc/17/83/78/1062178378.db2.gz RJPJRTFENZCXQI-LSDHHAIUSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H](NCc1ccc(F)cc1F)C1CC1 ZINC001480008941 1062178994 /nfs/dbraw/zinc/17/89/94/1062178994.db2.gz TYCOQOJDPWPAFI-ZUZCIYMTSA-N 0 3 307.344 2.109 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001506673744 1062264158 /nfs/dbraw/zinc/26/41/58/1062264158.db2.gz BCBAJSLWHVCSLZ-HNNXBMFYSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCCCC(=O)N1CC[C@]2(C1)CN(CC1CCC1)CCO2 ZINC001506727009 1062313944 /nfs/dbraw/zinc/31/39/44/1062313944.db2.gz GCQWQZBAIKIWQP-GOSISDBHSA-N 0 3 306.450 2.446 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(COCC)CC1 ZINC001480097444 1062321494 /nfs/dbraw/zinc/32/14/94/1062321494.db2.gz FPLIFJJRZLSHFS-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCOc2ccccc2F)C1 ZINC001480122263 1062352536 /nfs/dbraw/zinc/35/25/36/1062352536.db2.gz YXSRDRKNHZSPOE-HNNXBMFYSA-N 0 3 318.392 2.199 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2scnc2C)C(C)(C)C1 ZINC001506750989 1062367084 /nfs/dbraw/zinc/36/70/84/1062367084.db2.gz KKAQSNDLTUTWHE-AWEZNQCLSA-N 0 3 307.463 2.397 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](CCC)c3ccccc3)[C@@H]2C1 ZINC001506826222 1062412560 /nfs/dbraw/zinc/41/25/60/1062412560.db2.gz ULJFLHOMCSEBKU-MKXGPGLRSA-N 0 3 310.441 2.498 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001480246763 1062518320 /nfs/dbraw/zinc/51/83/20/1062518320.db2.gz HVJSDHUXJOZQEE-MRXNPFEDSA-N 0 3 320.408 2.357 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](C)n2cccc2)C1 ZINC001480267218 1062563635 /nfs/dbraw/zinc/56/36/35/1062563635.db2.gz JBZXEYAWBGSOGW-IRXDYDNUSA-N 0 3 301.434 2.291 20 30 DEEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001506957558 1062598259 /nfs/dbraw/zinc/59/82/59/1062598259.db2.gz SMICLWQDTNTSPZ-UHFFFAOYSA-N 0 3 320.436 2.374 20 30 DEEDHN O=C(C(F)F)N1CCCC[C@H]1CNCC#Cc1ccc(F)cc1 ZINC001480335812 1062672252 /nfs/dbraw/zinc/67/22/52/1062672252.db2.gz XDKXWSFCLQPEGY-HNNXBMFYSA-N 0 3 324.346 2.413 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)NCCC ZINC001480357759 1062708436 /nfs/dbraw/zinc/70/84/36/1062708436.db2.gz YIVSAGCSKDQILI-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001480371739 1062731076 /nfs/dbraw/zinc/73/10/76/1062731076.db2.gz FEMDLTSVRIAGNH-CABCVRRESA-N 0 3 320.458 2.228 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)N[C@@H]1CCc2ccccc2NC1=O ZINC001480431783 1062856522 /nfs/dbraw/zinc/85/65/22/1062856522.db2.gz JJYDVAXUPMFKAZ-XJKSGUPXSA-N 0 3 315.417 2.000 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCc2ccc(OC)nc2)C1 ZINC001507119487 1062870139 /nfs/dbraw/zinc/87/01/39/1062870139.db2.gz FKFYSSJEEBCUEC-AWEZNQCLSA-N 0 3 317.433 2.383 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001507124167 1062877301 /nfs/dbraw/zinc/87/73/01/1062877301.db2.gz GYYQXJANZZJAST-IKGGRYGDSA-N 0 3 320.477 2.289 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CC1(C)C)NCc1ccc(C#N)c(F)c1 ZINC001480449516 1062879888 /nfs/dbraw/zinc/87/98/88/1062879888.db2.gz TVQNIIQPMPUNHW-RISCZKNCSA-N 0 3 303.381 2.338 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C12CCC(CC1)CC2 ZINC001507158561 1062929408 /nfs/dbraw/zinc/92/94/08/1062929408.db2.gz CGGSCRHEKMKBMT-KLHKWILBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001536829865 1072239837 /nfs/dbraw/zinc/23/98/37/1072239837.db2.gz LBVPWHRMDNCVTB-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N[C@H](C)C(=O)N1CCCCC1 ZINC001480542732 1063005916 /nfs/dbraw/zinc/00/59/16/1063005916.db2.gz 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/nfs/dbraw/zinc/24/26/80/1065242680.db2.gz DNCCAJJKFDEGBA-AWEZNQCLSA-N 0 3 311.385 2.085 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCC(=O)N[C@@H](C)CCC)C1 ZINC001496150626 1065308096 /nfs/dbraw/zinc/30/80/96/1065308096.db2.gz FCQWFDHTAZLOCF-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001569249483 1065393243 /nfs/dbraw/zinc/39/32/43/1065393243.db2.gz IZXQAPLCHUNQNX-NSHDSACASA-N 0 3 312.845 2.321 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001496436511 1065470334 /nfs/dbraw/zinc/47/03/34/1065470334.db2.gz YZCNFNGDWKMHRN-UONOGXRCSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)COc1ccc(C)c(C)c1 ZINC001569383248 1065479252 /nfs/dbraw/zinc/47/92/52/1065479252.db2.gz NNVSIDUSZGPHBH-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCn1cc(Cl)cn1 ZINC001569386679 1065482390 /nfs/dbraw/zinc/48/23/90/1065482390.db2.gz SWSIJENHVDQRLI-CQSZACIVSA-N 0 3 310.829 2.083 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)OC ZINC001569444581 1065510460 /nfs/dbraw/zinc/51/04/60/1065510460.db2.gz DKBMCRLSYZDSFE-ZACQAIPSSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCOCC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001569468425 1065524524 /nfs/dbraw/zinc/52/45/24/1065524524.db2.gz IWKDNZAFEQAZRC-CLTKARDFSA-N 0 3 312.841 2.256 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCc2c(C)nn(C)c2C)CC1 ZINC001569574729 1065602415 /nfs/dbraw/zinc/60/24/15/1065602415.db2.gz RAKGUYWPQNXFHM-UHFFFAOYSA-N 0 3 318.465 2.126 20 30 DEEDHN C#CCN(C(=O)[C@H](CC)CCC)C1CCN(CCOC)CC1 ZINC001569595043 1065612152 /nfs/dbraw/zinc/61/21/52/1065612152.db2.gz BFGVOPWBFYHHHU-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)Cc2ccccc2C)C1 ZINC001569653230 1065651200 /nfs/dbraw/zinc/65/12/00/1065651200.db2.gz IVJCGDMSJANUAA-IBGZPJMESA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COc2ccccc2Cl)C1 ZINC001569653674 1065652066 /nfs/dbraw/zinc/65/20/66/1065652066.db2.gz RWXZTGSJNBQSDY-INIZCTEOSA-N 0 3 308.809 2.485 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNCc2nccn2C)C1 ZINC001569672003 1065662524 /nfs/dbraw/zinc/66/25/24/1065662524.db2.gz YRKSACBLFWAWAC-QGZVFWFLSA-N 0 3 304.438 2.105 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001569755730 1065707333 /nfs/dbraw/zinc/70/73/33/1065707333.db2.gz LJLSWAORKGPFFO-SFHVURJKSA-N 0 3 319.449 2.120 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CO[C@@H](C)C1 ZINC001569869549 1065778790 /nfs/dbraw/zinc/77/87/90/1065778790.db2.gz XBBCXMYQRVTJDG-FUHWJXTLSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CCNCc2ccn(CC)n2)C1 ZINC001569993786 1065867238 /nfs/dbraw/zinc/86/72/38/1065867238.db2.gz ANDXEFSTENHYQN-OAHLLOKOSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001626751065 1078261765 /nfs/dbraw/zinc/26/17/65/1078261765.db2.gz RGOVHJOHSRLFKZ-CYBMUJFWSA-N 0 3 306.454 2.107 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cn(C)nc1C ZINC001570025853 1065889617 /nfs/dbraw/zinc/88/96/17/1065889617.db2.gz OPSNFTOUSCXYIO-UHFFFAOYSA-N 0 3 312.417 2.276 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)Cc1ncc[nH]1 ZINC001570027927 1065891727 /nfs/dbraw/zinc/89/17/27/1065891727.db2.gz BXYLOPLJKXVIFD-UHFFFAOYSA-N 0 3 312.417 2.277 20 30 DEEDHN C#CCNC1(CNC(=O)c2noc3c2CC(C)(C)CC3)CCC1 ZINC001570111794 1065928055 /nfs/dbraw/zinc/92/80/55/1065928055.db2.gz DLPXEGYUXRQMFJ-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cn(C)nc1C1CC1 ZINC001497198331 1065957734 /nfs/dbraw/zinc/95/77/34/1065957734.db2.gz WWJRVHJBGFYVRC-LLVKDONJSA-N 0 3 310.829 2.148 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001570206301 1065971093 /nfs/dbraw/zinc/97/10/93/1065971093.db2.gz ODFGJGXLMSVKTO-ZDUSSCGKSA-N 0 3 320.437 2.239 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001570206301 1065971102 /nfs/dbraw/zinc/97/11/02/1065971102.db2.gz ODFGJGXLMSVKTO-ZDUSSCGKSA-N 0 3 320.437 2.239 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001570334882 1066018218 /nfs/dbraw/zinc/01/82/18/1066018218.db2.gz RCMKGSGBWVCRLM-XJKSGUPXSA-N 0 3 322.836 2.479 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)C3(C)CCCC3)CC2)C1 ZINC001570402604 1066053531 /nfs/dbraw/zinc/05/35/31/1066053531.db2.gz LMNAJCZGJSVXAY-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(CC)CCOCC2)C[C@@H]1C ZINC001570445721 1066075536 /nfs/dbraw/zinc/07/55/36/1066075536.db2.gz PJNHELZWYDYHFW-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001570495039 1066095269 /nfs/dbraw/zinc/09/52/69/1066095269.db2.gz SGQUXZPBSZGQJT-HOTGVXAUSA-N 0 3 308.466 2.332 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C[C@@H](C)c1ccccc1 ZINC001497498661 1066116062 /nfs/dbraw/zinc/11/60/62/1066116062.db2.gz UMFRYEDUINKGTP-QGZVFWFLSA-N 0 3 316.445 2.268 20 30 DEEDHN N#Cc1cc(CNC/C=C\CNC(=O)c2ccccn2)ccc1F ZINC001497511540 1066119455 /nfs/dbraw/zinc/11/94/55/1066119455.db2.gz PPMVNMHYNLDSLF-ARJAWSKDSA-N 0 3 324.359 2.168 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C2CC(F)(F)C2)c1 ZINC001497557016 1066138600 /nfs/dbraw/zinc/13/86/00/1066138600.db2.gz GGPHMCUFSVMQHS-UPHRSURJSA-N 0 3 319.355 2.366 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccc2nccc(C)c2c1 ZINC001497591816 1066183274 /nfs/dbraw/zinc/18/32/74/1066183274.db2.gz YFALKMWFOOOXAY-AATRIKPKSA-N 0 3 307.397 2.442 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[C@@H](F)C2)cc1 ZINC001497664132 1066219112 /nfs/dbraw/zinc/21/91/12/1066219112.db2.gz YIRQBCDIOCZQAS-KBXQFXQKSA-N 0 3 315.392 2.458 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001497697681 1066247653 /nfs/dbraw/zinc/24/76/53/1066247653.db2.gz OHRKVKQQXJKAMO-FDICQLOXSA-N 0 3 312.413 2.084 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001497794106 1066320287 /nfs/dbraw/zinc/32/02/87/1066320287.db2.gz ATXOHYZYBDLMKN-PBHICJAKSA-N 0 3 320.408 2.087 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)N1CCC(C)CC1 ZINC001497822437 1066347069 /nfs/dbraw/zinc/34/70/69/1066347069.db2.gz DMBJBCZPEIQINX-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)CCc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)n[nH]1 ZINC001575583566 1066361093 /nfs/dbraw/zinc/36/10/93/1066361093.db2.gz DKIKMDFPIRCEFV-UIORMTCPSA-N 0 3 315.421 2.076 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001498030883 1066468829 /nfs/dbraw/zinc/46/88/29/1066468829.db2.gz FPDZAANTJLNOMJ-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cc(Cl)ccc1C ZINC001498143367 1066525875 /nfs/dbraw/zinc/52/58/75/1066525875.db2.gz YLMHSEIDTYDWSG-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCCCO1 ZINC001498260300 1066600821 /nfs/dbraw/zinc/60/08/21/1066600821.db2.gz YPNKLQAXLWKKHF-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001498311097 1066626214 /nfs/dbraw/zinc/62/62/14/1066626214.db2.gz MFGYYTUUHMNMEC-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001498311097 1066626219 /nfs/dbraw/zinc/62/62/19/1066626219.db2.gz MFGYYTUUHMNMEC-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC001498348175 1066647310 /nfs/dbraw/zinc/64/73/10/1066647310.db2.gz CABZSZIMOKSHCQ-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC001576627391 1066648884 /nfs/dbraw/zinc/64/88/84/1066648884.db2.gz QSBIPGKYLOWLOW-FVQBIDKESA-N 0 3 300.406 2.402 20 30 DEEDHN C[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)c2cccc(F)c2O1 ZINC001576759688 1066679901 /nfs/dbraw/zinc/67/99/01/1066679901.db2.gz BKPJKNKPGXUQGF-AAEUAGOBSA-N 0 3 305.353 2.351 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1ccn(C)n1 ZINC001498473897 1066731845 /nfs/dbraw/zinc/73/18/45/1066731845.db2.gz NCZZBQIDGBYKCB-ZBFHGGJFSA-N 0 3 304.438 2.151 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001498569145 1066783198 /nfs/dbraw/zinc/78/31/98/1066783198.db2.gz FIQGHOZHBLIJON-UHFFFAOYSA-N 0 3 310.829 2.093 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1csc(C)n1 ZINC001498648945 1066820026 /nfs/dbraw/zinc/82/00/26/1066820026.db2.gz UFKDPUHDWBNMEN-UHFFFAOYSA-N 0 3 301.843 2.185 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC001577426771 1066839577 /nfs/dbraw/zinc/83/95/77/1066839577.db2.gz WLHYVWNJWGIGFJ-RPNZERQGSA-N 0 3 316.511 2.432 20 30 DEEDHN C=C(C)CC[NH2+]C[C@]1(NC(=O)c2cn[n-]n2)CCCC[C@@H]1C ZINC001267869865 1079556334 /nfs/dbraw/zinc/55/63/34/1079556334.db2.gz HGQGTCUTHVYXOA-XJKSGUPXSA-N 0 3 305.426 2.039 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001498984203 1066999613 /nfs/dbraw/zinc/99/96/13/1066999613.db2.gz LXDZXYVCXSWSJJ-HOTGVXAUSA-N 0 3 300.402 2.147 20 30 DEEDHN CCC[C@H](C(=O)NC[C@@H](C)NCC#CCOC)c1ccccc1 ZINC001266988070 1078483912 /nfs/dbraw/zinc/48/39/12/1078483912.db2.gz BLVCVOFZZIZEIZ-AEFFLSMTSA-N 0 3 316.445 2.314 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](CC)Oc1ccccc1F ZINC001266986292 1078482390 /nfs/dbraw/zinc/48/23/90/1078482390.db2.gz WMZQWCZREJDMTC-UKRRQHHQSA-N 0 3 306.381 2.101 20 30 DEEDHN CC[C@@H](C(=O)NC[C@H](C)NCC#CCOC)c1ccc(F)cc1 ZINC001266993657 1078486373 /nfs/dbraw/zinc/48/63/73/1078486373.db2.gz BPDXLOLBWQITRX-WMLDXEAASA-N 0 3 320.408 2.063 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001578942328 1067207368 /nfs/dbraw/zinc/20/73/68/1067207368.db2.gz ZKFNDSNRSPCYNY-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001579040948 1067225674 /nfs/dbraw/zinc/22/56/74/1067225674.db2.gz BLHLBNVRSNEKRI-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cnns2)C[C@@H]1C ZINC001499824590 1067348803 /nfs/dbraw/zinc/34/88/03/1067348803.db2.gz OYQNWEOUXMZMST-KBPBESRZSA-N 0 3 320.462 2.201 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1(OC)CCC1 ZINC001279556450 1078512557 /nfs/dbraw/zinc/51/25/57/1078512557.db2.gz QYHOWYUTFKAVGV-JKSUJKDBSA-N 0 3 304.434 2.034 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cnn(C(C)(C)C)c1CC ZINC001483418916 1078521359 /nfs/dbraw/zinc/52/13/59/1078521359.db2.gz CMQKQBFNYFNZAG-CYBMUJFWSA-N 0 3 306.454 2.437 20 30 DEEDHN Cc1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)ccc1C#N ZINC001579853408 1067439078 /nfs/dbraw/zinc/43/90/78/1067439078.db2.gz PBCJCPWNVLKNOW-QGZVFWFLSA-N 0 3 322.368 2.175 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H]1C[C@@H]1C1CCCC1)C2 ZINC001580043788 1067480227 /nfs/dbraw/zinc/48/02/27/1067480227.db2.gz RDAFELFINRZYOE-CFFMVQJASA-N 0 3 301.434 2.068 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC001580042486 1067480247 /nfs/dbraw/zinc/48/02/47/1067480247.db2.gz TZZUMIRXIVJONM-UNTFWZCKSA-N 0 3 301.434 2.164 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC001580049353 1067481930 /nfs/dbraw/zinc/48/19/30/1067481930.db2.gz OCBLNGAWUHSYMU-HZPDHXFCSA-N 0 3 319.449 2.205 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2snnc2C(C)C)C1 ZINC001267113461 1078590352 /nfs/dbraw/zinc/59/03/52/1078590352.db2.gz LNFJWIKHZDRRJI-ZDUSSCGKSA-N 0 3 320.462 2.221 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2snnc2C(C)C)C1 ZINC001267113460 1078590656 /nfs/dbraw/zinc/59/06/56/1078590656.db2.gz LNFJWIKHZDRRJI-CYBMUJFWSA-N 0 3 320.462 2.221 20 30 DEEDHN CC#CCNCCN(C)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001267125552 1078601314 /nfs/dbraw/zinc/60/13/14/1078601314.db2.gz BMHDXGPPKGTTGT-OAHLLOKOSA-N 0 3 302.418 2.260 20 30 DEEDHN C#CCCCC(=O)N[C@@H](CNCc1c(C)noc1C)C1CC1 ZINC001483558225 1078597462 /nfs/dbraw/zinc/59/74/62/1078597462.db2.gz TUUJRTZLQWPWHI-INIZCTEOSA-N 0 3 303.406 2.079 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1cn(C)nc1C)C1CC1 ZINC001483589314 1078616230 /nfs/dbraw/zinc/61/62/30/1078616230.db2.gz DQPOZSAKOBMZEA-MRXNPFEDSA-N 0 3 318.465 2.315 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1[nH]ccc1C ZINC001570528706 1067988144 /nfs/dbraw/zinc/98/81/44/1067988144.db2.gz WITPMBBKWIHRKN-OAHLLOKOSA-N 0 3 305.422 2.062 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(CC)nnc1C ZINC001570536036 1067990895 /nfs/dbraw/zinc/99/08/95/1067990895.db2.gz IXLWIKZWUSEPBC-HNNXBMFYSA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cc(C)nn2C)C1 ZINC001267877235 1079564178 /nfs/dbraw/zinc/56/41/78/1079564178.db2.gz ALAFQUIUIFDXNF-CQSZACIVSA-N 0 3 324.856 2.313 20 30 DEEDHN C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001267176076 1078640481 /nfs/dbraw/zinc/64/04/81/1078640481.db2.gz YHXRUSGQCVGPED-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001267176076 1078640484 /nfs/dbraw/zinc/64/04/84/1078640484.db2.gz YHXRUSGQCVGPED-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(Br)c[nH]1 ZINC001570722688 1068096409 /nfs/dbraw/zinc/09/64/09/1068096409.db2.gz ZSWHLXRYBNVKPQ-VIFPVBQESA-N 0 3 300.200 2.013 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001570826654 1068130263 /nfs/dbraw/zinc/13/02/63/1068130263.db2.gz AXJODZCBBMNPPQ-DLBZAZTESA-N 0 3 316.449 2.218 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](C)C1CN(CCCF)C1 ZINC001570860661 1068144146 /nfs/dbraw/zinc/14/41/46/1068144146.db2.gz XLWDZHXEHMKEQL-AWEZNQCLSA-N 0 3 302.393 2.007 20 30 DEEDHN C#CCN1C[C@@H]2C(CNC(=O)CC/C=C/c3ccccc3)[C@@H]2C1 ZINC001570951723 1068164418 /nfs/dbraw/zinc/16/44/18/1068164418.db2.gz ATJQZQBOHIWDRN-OPVPKBCASA-N 0 3 308.425 2.407 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3ccc(CC)cc3)[C@@H]2C1 ZINC001570961503 1068167350 /nfs/dbraw/zinc/16/73/50/1068167350.db2.gz MHEYLPZCOAGRGK-LDLYASANSA-N 0 3 310.441 2.109 20 30 DEEDHN C[C@@H](CCCNCc1ccns1)NC(=O)c1cc(C#N)c[nH]1 ZINC001571240487 1068199986 /nfs/dbraw/zinc/19/99/86/1068199986.db2.gz ILDFFSFLOAUPEP-NSHDSACASA-N 0 3 317.418 2.031 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cnn(CCC(C)C)c1C ZINC001267224421 1078677825 /nfs/dbraw/zinc/67/78/25/1078677825.db2.gz CJBBDBDTWPQLCG-UHFFFAOYSA-N 0 3 306.454 2.475 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)cn1 ZINC001571414460 1068283430 /nfs/dbraw/zinc/28/34/30/1068283430.db2.gz PSJYZUHNWFONIT-OAHLLOKOSA-N 0 3 322.412 2.017 20 30 DEEDHN C=CCCOCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001267233233 1078684764 /nfs/dbraw/zinc/68/47/64/1078684764.db2.gz JXEFUXWEGYVJDS-KRWDZBQOSA-N 0 3 320.408 2.454 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001571452590 1068299029 /nfs/dbraw/zinc/29/90/29/1068299029.db2.gz PEQJFEDCCOXCFT-XJKSGUPXSA-N 0 3 306.381 2.107 20 30 DEEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)c1ccncc1 ZINC001571469958 1068321041 /nfs/dbraw/zinc/32/10/41/1068321041.db2.gz XIFLTBYAUSOVTI-APWZRJJASA-N 0 3 319.408 2.326 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001571479276 1068333551 /nfs/dbraw/zinc/33/35/51/1068333551.db2.gz NVQKHJDRZQHXPA-RDJZCZTQSA-N 0 3 309.413 2.464 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cc(F)ccc2F)C1 ZINC001571484850 1068338921 /nfs/dbraw/zinc/33/89/21/1068338921.db2.gz JJOJVYCWUXISRY-DOMZBBRYSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2cccc(F)c2F)C1 ZINC001571494895 1068354148 /nfs/dbraw/zinc/35/41/48/1068354148.db2.gz JYUAYZJVVOCUNU-HIFRSBDPSA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001267263726 1078710541 /nfs/dbraw/zinc/71/05/41/1078710541.db2.gz MBOTUCXQAKZGFV-MWDXBVQZSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](O)CNCc1cc(C)ccc1F ZINC001571576936 1068427035 /nfs/dbraw/zinc/42/70/35/1068427035.db2.gz ZUMZYPIVJRQSOF-HNNXBMFYSA-N 0 3 308.397 2.009 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001571607985 1068438709 /nfs/dbraw/zinc/43/87/09/1068438709.db2.gz WHTXMPSLIKAQED-SJORKVTESA-N 0 3 316.445 2.044 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)c2ccncc2)CC1 ZINC001571644407 1068457408 /nfs/dbraw/zinc/45/74/08/1068457408.db2.gz PBYZMSGGNJEVNO-JKSUJKDBSA-N 0 3 313.445 2.425 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)Cc1ccc(C)cc1 ZINC001267270430 1078716813 /nfs/dbraw/zinc/71/68/13/1078716813.db2.gz JAKCIWOPWOWJRN-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C ZINC001104471251 1078716834 /nfs/dbraw/zinc/71/68/34/1078716834.db2.gz BSKAQBOUVVIBCT-ZWNOBZJWSA-N 0 3 310.829 2.158 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001267270558 1078716943 /nfs/dbraw/zinc/71/69/43/1078716943.db2.gz KNSATSDNZBYWIZ-OAHLLOKOSA-N 0 3 305.422 2.028 20 30 DEEDHN Cc1noc(C)c1CNC1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001571657206 1068464325 /nfs/dbraw/zinc/46/43/25/1068464325.db2.gz YPBJFWKDHAKUCV-UHFFFAOYSA-N 0 3 317.433 2.420 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)C[C@](C)(O)C=C)c(F)c1 ZINC001571701979 1068491118 /nfs/dbraw/zinc/49/11/18/1068491118.db2.gz DEJPISPQHIIMQZ-QGZVFWFLSA-N 0 3 306.381 2.045 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(CCCCC)n[nH]1 ZINC001267279217 1078725988 /nfs/dbraw/zinc/72/59/88/1078725988.db2.gz ZRDHZXWIJHUMRW-INIZCTEOSA-N 0 3 316.449 2.360 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001483647400 1078739094 /nfs/dbraw/zinc/73/90/94/1078739094.db2.gz KTJHYDRFBCFLCO-PKOBYXMFSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001267299489 1078745605 /nfs/dbraw/zinc/74/56/05/1078745605.db2.gz CRGWAHLXDJDOMG-CVEARBPZSA-N 0 3 318.465 2.269 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001267305583 1078751342 /nfs/dbraw/zinc/75/13/42/1078751342.db2.gz LNWVFXNVYCSZRZ-SJORKVTESA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001267315611 1078759500 /nfs/dbraw/zinc/75/95/00/1078759500.db2.gz PLUBRFAJICTECY-OAHLLOKOSA-N 0 3 316.449 2.238 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C[C@@H](CC)OC)C2CC2)cc1 ZINC001267331138 1078770907 /nfs/dbraw/zinc/77/09/07/1078770907.db2.gz ZIPAKSXNTPJRCK-GOSISDBHSA-N 0 3 314.429 2.287 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001483674354 1078773233 /nfs/dbraw/zinc/77/32/33/1078773233.db2.gz KUJKQDLKGGFKNE-OAHLLOKOSA-N 0 3 317.433 2.103 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC001642918095 1078777521 /nfs/dbraw/zinc/77/75/21/1078777521.db2.gz WMRFUSVGNGANRI-KRWDZBQOSA-N 0 3 315.417 2.212 20 30 DEEDHN COc1cc(Cl)ccc1CNCCN(C)C(=O)[C@H](C)C#N ZINC001267354908 1078788185 /nfs/dbraw/zinc/78/81/85/1078788185.db2.gz BVXWDLSZEFWPTB-LLVKDONJSA-N 0 3 309.797 2.056 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)CCc1ccoc1 ZINC001267360427 1078792183 /nfs/dbraw/zinc/79/21/83/1078792183.db2.gz HKYQZLGVYOPJQY-UHFFFAOYSA-N 0 3 317.414 2.394 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)CN(C)C(=O)C1CCCC1 ZINC001283555426 1078784124 /nfs/dbraw/zinc/78/41/24/1078784124.db2.gz SDNVFGHWWDCOAD-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cc(CC)n[nH]1)c1ccccc1 ZINC001267350394 1078784913 /nfs/dbraw/zinc/78/49/13/1078784913.db2.gz DLTPRGMAXKTCAF-QGZVFWFLSA-N 0 3 310.401 2.056 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cc1ccn(CC)n1)c1ccccc1 ZINC001267361604 1078793440 /nfs/dbraw/zinc/79/34/40/1078793440.db2.gz DEWYNRDYHKSYMF-KRWDZBQOSA-N 0 3 312.417 2.079 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cn2c(n1)CCC2)c1ccccc1 ZINC001267361635 1078793688 /nfs/dbraw/zinc/79/36/88/1078793688.db2.gz DXWICTUPGNBMGF-OAHLLOKOSA-N 0 3 310.401 2.076 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC001515371604 1068872390 /nfs/dbraw/zinc/87/23/90/1068872390.db2.gz NOFSKOJLRSCVOE-CJNGLKHVSA-N 0 3 314.385 2.275 20 30 DEEDHN CCc1cccnc1C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267395962 1078828946 /nfs/dbraw/zinc/82/89/46/1078828946.db2.gz YONDMJFFOYWGSZ-UHFFFAOYSA-N 0 3 322.412 2.377 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCNCc1ccsc1 ZINC001267440893 1078853683 /nfs/dbraw/zinc/85/36/83/1078853683.db2.gz DWIJPHGFVDJEQP-GJZGRUSLSA-N 0 3 308.447 2.277 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001574545244 1069237460 /nfs/dbraw/zinc/23/74/60/1069237460.db2.gz ORMDYIIKOTXZFK-JKSUJKDBSA-N 0 3 312.413 2.299 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001574901969 1069291544 /nfs/dbraw/zinc/29/15/44/1069291544.db2.gz YCHPTAMVHZKNGR-CVSAEHQPSA-N 0 3 308.422 2.003 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC001574908534 1069294268 /nfs/dbraw/zinc/29/42/68/1069294268.db2.gz RNAWJXBVSKMANT-ZDUSSCGKSA-N 0 3 314.389 2.150 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC001574908387 1069294403 /nfs/dbraw/zinc/29/44/03/1069294403.db2.gz MAMUHCWEYYMOHX-KRWDZBQOSA-N 0 3 312.417 2.231 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2ccon2)C1 ZINC001267475473 1078895446 /nfs/dbraw/zinc/89/54/46/1078895446.db2.gz OAQKNRLAMLKCOE-INIZCTEOSA-N 0 3 305.422 2.496 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001540832876 1072430734 /nfs/dbraw/zinc/43/07/34/1072430734.db2.gz ZWTQXFPRIPNKIM-MJGOQNOKSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCN[C@@H](CNC(=O)C1CCC(O)CC1)c1ccccc1 ZINC001267518757 1078947768 /nfs/dbraw/zinc/94/77/68/1078947768.db2.gz BESAKEXIKRZUJM-JCYILVPMSA-N 0 3 302.418 2.171 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3cccn3C)CC2)C1=O ZINC001272578475 1078977891 /nfs/dbraw/zinc/97/78/91/1078977891.db2.gz SJLASMKOEUUKGL-UHFFFAOYSA-N 0 3 301.434 2.416 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(CC)Cc1ccccc1C ZINC001480971246 1079015164 /nfs/dbraw/zinc/01/51/64/1079015164.db2.gz GDVJUMLKLBZDMG-GOSISDBHSA-N 0 3 304.434 2.260 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1C)C2 ZINC001272637297 1079025576 /nfs/dbraw/zinc/02/55/76/1079025576.db2.gz KJGUWNSUMSQJBA-IBGZPJMESA-N 0 3 314.429 2.232 20 30 DEEDHN CCN(CCNC(=O)c1nocc1C)Cc1ccc(C#N)cc1 ZINC001481010299 1079058298 /nfs/dbraw/zinc/05/82/98/1079058298.db2.gz RCYVWXRPWZNXOD-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC001646033671 1079083910 /nfs/dbraw/zinc/08/39/10/1079083910.db2.gz NYIUJBDWBSFCLN-BJDJZHNGSA-N 0 3 322.758 2.470 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCCN1Cc1cccc(C)c1 ZINC001481031091 1079091598 /nfs/dbraw/zinc/09/15/98/1079091598.db2.gz RNMXAFUHXUXWEO-KRWDZBQOSA-N 0 3 302.418 2.278 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)c1ocnc1C1CC1 ZINC001649440290 1079119814 /nfs/dbraw/zinc/11/98/14/1079119814.db2.gz NSFUVWOGGDOCDH-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(CC#CC)CCOC)CC1 ZINC001483820823 1079132914 /nfs/dbraw/zinc/13/29/14/1079132914.db2.gz BTLSCYYNKWVMIJ-UHFFFAOYSA-N 0 3 306.450 2.161 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1cc(C)cc(C)c1 ZINC001481070401 1079151533 /nfs/dbraw/zinc/15/15/33/1079151533.db2.gz OMTUALCXTQVUDL-MRXNPFEDSA-N 0 3 302.418 2.449 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCN(CCc2c(F)cccc2F)C1 ZINC001481084939 1079166481 /nfs/dbraw/zinc/16/64/81/1079166481.db2.gz XXMFMMPPABKEKE-STQMWFEESA-N 0 3 321.371 2.105 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001481101229 1079183913 /nfs/dbraw/zinc/18/39/13/1079183913.db2.gz HVZWLQKFBKRJGM-CHWSQXEVSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)OCC1CC1)C2 ZINC001484019745 1079246122 /nfs/dbraw/zinc/24/61/22/1079246122.db2.gz JOMYRRMRKUGEGI-LPHOPBHVSA-N 0 3 318.461 2.139 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCc3ccccc3NC2=O)cc1 ZINC001646522323 1074470345 /nfs/dbraw/zinc/47/03/45/1074470345.db2.gz NFCLHXRJAMDYHA-ROUUACIJSA-N 0 3 321.380 2.135 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(CCOC1CCCCCC1)C1CC1 ZINC001481163322 1079274687 /nfs/dbraw/zinc/27/46/87/1079274687.db2.gz STXDOSQWKCHAJU-HNNXBMFYSA-N 0 3 321.465 2.466 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1[nH]cnc1C(F)(F)F)C1CC1 ZINC001481172791 1079289843 /nfs/dbraw/zinc/28/98/43/1079289843.db2.gz IIGGCPXESBJBCM-UHFFFAOYSA-N 0 3 316.327 2.199 20 30 DEEDHN C[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1cccc(C#N)c1 ZINC001646785107 1074617299 /nfs/dbraw/zinc/61/72/99/1074617299.db2.gz REZOWTYXDOPTSV-RISCZKNCSA-N 0 3 309.373 2.039 20 30 DEEDHN C[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2N)c1cccc(C#N)c1 ZINC001646785105 1074617304 /nfs/dbraw/zinc/61/73/04/1074617304.db2.gz REZOWTYXDOPTSV-BXUZGUMPSA-N 0 3 309.373 2.039 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001329386646 1148889569 /nfs/dbraw/zinc/88/95/69/1148889569.db2.gz RNUVPFMCPQRDOJ-NSHDSACASA-N 0 3 300.786 2.186 20 30 DEEDHN N#CC(C(=O)c1cccc2c1OCC2)c1nnc2n1CCCCC2 ZINC001646844290 1074646315 /nfs/dbraw/zinc/64/63/15/1074646315.db2.gz TYDDRWILHOABMS-CQSZACIVSA-N 0 3 322.368 2.429 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCOc2ccccc2)C1 ZINC001267634431 1079321048 /nfs/dbraw/zinc/32/10/48/1079321048.db2.gz XONMMHXPDGPVRN-INIZCTEOSA-N 0 3 300.402 2.059 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cccn3nccc23)C1 ZINC001484164588 1079339423 /nfs/dbraw/zinc/33/94/23/1079339423.db2.gz YTXVIRPTFPFMAN-IBGZPJMESA-N 0 3 324.428 2.190 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001484166158 1079340922 /nfs/dbraw/zinc/34/09/22/1079340922.db2.gz GGLHTOMPFSRDKN-TZMCWYRMSA-N 0 3 304.356 2.426 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001566824950 1075002400 /nfs/dbraw/zinc/00/24/00/1075002400.db2.gz OVFVBIVUUHIYTO-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC001556466814 1075032537 /nfs/dbraw/zinc/03/25/37/1075032537.db2.gz NRJKYMMXGCBSSO-UKRRQHHQSA-N 0 3 304.438 2.042 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1nc(C2CCCC2)cs1 ZINC001556828615 1075045047 /nfs/dbraw/zinc/04/50/47/1075045047.db2.gz WYOLZGDPXBBCSS-UHFFFAOYSA-N 0 3 319.474 2.415 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(CC)(CC)C(=O)OC(C)(C)C ZINC001556828586 1075045131 /nfs/dbraw/zinc/04/51/31/1075045131.db2.gz WIHGLSGBQSPMKK-UHFFFAOYSA-N 0 3 324.465 2.206 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(OC(=O)CC)c(OCC)c1 ZINC001560519397 1075141266 /nfs/dbraw/zinc/14/12/66/1075141266.db2.gz AYQQTCCSQPJIRB-OAHLLOKOSA-N 0 3 319.401 2.265 20 30 DEEDHN C=CCN1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC001565832014 1075191970 /nfs/dbraw/zinc/19/19/70/1075191970.db2.gz SHIGNRQDSHQUHZ-ZWKOTPCHSA-N 0 3 315.461 2.398 20 30 DEEDHN CC(F)(F)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001565858411 1075198469 /nfs/dbraw/zinc/19/84/69/1075198469.db2.gz KYSWCBVLQYUZCF-CTYIDZIISA-N 0 3 324.346 2.317 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)n2ccc(C)n2)[C@H]1CC ZINC001566019517 1075217338 /nfs/dbraw/zinc/21/73/38/1075217338.db2.gz RVCAOAINEBQAMY-HRCADAONSA-N 0 3 304.438 2.298 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2c(C)nn(C)c2C)[C@H]1C ZINC001566098286 1075228675 /nfs/dbraw/zinc/22/86/75/1075228675.db2.gz XJWQIIFRPSELTF-WBVHZDCISA-N 0 3 318.465 2.125 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@H]1C ZINC001566104156 1075229849 /nfs/dbraw/zinc/22/98/49/1075229849.db2.gz MCWXMMALUVKARR-FPCVCCKLSA-N 0 3 318.417 2.165 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCc1c(C)noc1Cl ZINC001566521108 1075268942 /nfs/dbraw/zinc/26/89/42/1075268942.db2.gz JZFBGFVFVRKZBF-UHFFFAOYSA-N 0 3 311.813 2.030 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001566664936 1075310027 /nfs/dbraw/zinc/31/00/27/1075310027.db2.gz GIPAMGGSCRQTBH-AWEZNQCLSA-N 0 3 320.437 2.050 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001566678916 1075315600 /nfs/dbraw/zinc/31/56/00/1075315600.db2.gz HKSAGNDCHORTBI-MRXNPFEDSA-N 0 3 320.408 2.070 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)CCC(C)C)CC1 ZINC001566684539 1075317219 /nfs/dbraw/zinc/31/72/19/1075317219.db2.gz QNPFPASEXOBNDA-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H](NCc1ccnc(Cl)c1)C1CC1 ZINC001566708918 1075323468 /nfs/dbraw/zinc/32/34/68/1075323468.db2.gz MRPNSSPJBDSFKU-OAHLLOKOSA-N 0 3 317.820 2.133 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccc1C ZINC001566755303 1075337280 /nfs/dbraw/zinc/33/72/80/1075337280.db2.gz ALXSBKNHPPEPAK-BHYGNILZSA-N 0 3 316.449 2.221 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001566833508 1075356372 /nfs/dbraw/zinc/35/63/72/1075356372.db2.gz MFGVXVYRAIETHC-FPMFFAJLSA-N 0 3 324.371 2.465 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001566851827 1075361882 /nfs/dbraw/zinc/36/18/82/1075361882.db2.gz BPTPRRRAXOQDNQ-ZOWXZIJZSA-N 0 3 308.451 2.186 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2coc3ccccc23)C1 ZINC001566878536 1075371415 /nfs/dbraw/zinc/37/14/15/1075371415.db2.gz BTCJEWCIXSILIM-HNNXBMFYSA-N 0 3 310.397 2.437 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1C ZINC001267710906 1079397845 /nfs/dbraw/zinc/39/78/45/1079397845.db2.gz CWWXGSNSPPJGTD-RCBQFDQVSA-N 0 3 316.449 2.290 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1coc2c1cccc2OC ZINC001567017021 1075416955 /nfs/dbraw/zinc/41/69/55/1075416955.db2.gz RKLQHBZYXLVBFJ-GFCCVEGCSA-N 0 3 300.358 2.173 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001567042655 1075421266 /nfs/dbraw/zinc/42/12/66/1075421266.db2.gz WZFCXUOPDQHKOL-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001567171060 1075451669 /nfs/dbraw/zinc/45/16/69/1075451669.db2.gz BPVXRYNXWHYQHV-KGLIPLIRSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001567279411 1075486085 /nfs/dbraw/zinc/48/60/85/1075486085.db2.gz USVZPARALRJQJP-SUMWQHHRSA-N 0 3 308.397 2.262 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001267744913 1079443746 /nfs/dbraw/zinc/44/37/46/1079443746.db2.gz ASBNPKRDYISXCP-GOSISDBHSA-N 0 3 316.445 2.185 20 30 DEEDHN Cc1ncsc1CCN(C)[C@@H](C)CNC(=O)C#CC(C)C ZINC001329430635 1148894020 /nfs/dbraw/zinc/89/40/20/1148894020.db2.gz FLEKRIQLGKOYEX-ZDUSSCGKSA-N 0 3 307.463 2.090 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001580766933 1075989537 /nfs/dbraw/zinc/98/95/37/1075989537.db2.gz KUTAJGSSAXPLID-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(CCC)C(=O)CN1CCC[C@H]1C ZINC001581406801 1076070335 /nfs/dbraw/zinc/07/03/35/1076070335.db2.gz RTXCCJRFGYEUHO-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001584176003 1076290952 /nfs/dbraw/zinc/29/09/52/1076290952.db2.gz JLPTVRJDQZRFFX-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](O)CCC ZINC001588648826 1076459604 /nfs/dbraw/zinc/45/96/04/1076459604.db2.gz QXHURVXDIMZMQX-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](O)CCC ZINC001588648826 1076459607 /nfs/dbraw/zinc/45/96/07/1076459607.db2.gz QXHURVXDIMZMQX-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CCC ZINC001588648826 1076459610 /nfs/dbraw/zinc/45/96/10/1076459610.db2.gz QXHURVXDIMZMQX-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CCC ZINC001588648826 1076459612 /nfs/dbraw/zinc/45/96/12/1076459612.db2.gz QXHURVXDIMZMQX-OAHLLOKOSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)COC ZINC001588635838 1076459825 /nfs/dbraw/zinc/45/98/25/1076459825.db2.gz YCWBWRQAYKXXSS-LLVKDONJSA-N 0 3 305.357 2.029 20 30 DEEDHN C=CC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)COC ZINC001588635838 1076459828 /nfs/dbraw/zinc/45/98/28/1076459828.db2.gz YCWBWRQAYKXXSS-LLVKDONJSA-N 0 3 305.357 2.029 20 30 DEEDHN C=CC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)COC ZINC001588635838 1076459831 /nfs/dbraw/zinc/45/98/31/1076459831.db2.gz YCWBWRQAYKXXSS-LLVKDONJSA-N 0 3 305.357 2.029 20 30 DEEDHN C=CC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@H](C)COC ZINC001588635838 1076459832 /nfs/dbraw/zinc/45/98/32/1076459832.db2.gz YCWBWRQAYKXXSS-LLVKDONJSA-N 0 3 305.357 2.029 20 30 DEEDHN N#Cc1ccc([C@@H](C(=O)[O-])N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001601095216 1077337508 /nfs/dbraw/zinc/33/75/08/1077337508.db2.gz KNKCRNBYNLYWNC-WMZOPIPTSA-N 0 3 313.401 2.150 20 30 DEEDHN C=CCC[C@H](CO)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053285 1077750335 /nfs/dbraw/zinc/75/03/35/1077750335.db2.gz FHVGUJZSXVEIAV-ZBFHGGJFSA-N 0 3 313.405 2.161 20 30 DEEDHN C=CCC[C@H](CO)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053285 1077750341 /nfs/dbraw/zinc/75/03/41/1077750341.db2.gz FHVGUJZSXVEIAV-ZBFHGGJFSA-N 0 3 313.405 2.161 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCOC1)c1ccccc1CC ZINC001484324007 1079539556 /nfs/dbraw/zinc/53/95/56/1079539556.db2.gz KFVXFYIAPQDFHW-NVXWUHKLSA-N 0 3 302.418 2.218 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2ccn(CC)n2)C1 ZINC001484329752 1079543795 /nfs/dbraw/zinc/54/37/95/1079543795.db2.gz AAOGPKQPIVEBPU-CABCVRRESA-N 0 3 304.438 2.196 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001267896344 1079581075 /nfs/dbraw/zinc/58/10/75/1079581075.db2.gz AUESRFSMWZSFIR-AWEZNQCLSA-N 0 3 324.856 2.231 20 30 DEEDHN CCCCCCN1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 ZINC001484434587 1079610351 /nfs/dbraw/zinc/61/03/51/1079610351.db2.gz KFIPIFFJXBYXIX-SFHVURJKSA-N 0 3 308.466 2.169 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCOc1ccccc1 ZINC001484462740 1079620068 /nfs/dbraw/zinc/62/00/68/1079620068.db2.gz DMFSWHOHCFOTKZ-QZTJIDSGSA-N 0 3 312.413 2.154 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001484468470 1079623263 /nfs/dbraw/zinc/62/32/63/1079623263.db2.gz IYVJTEFSMUZIBA-JKSUJKDBSA-N 0 3 320.458 2.374 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)C1(CC(C)C)CCCC1 ZINC001484497889 1079631037 /nfs/dbraw/zinc/63/10/37/1079631037.db2.gz ZLVIBLRYEDNDIO-UHFFFAOYSA-N 0 3 308.466 2.027 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)Cn2ccnc2C)cc1 ZINC001484561414 1079660932 /nfs/dbraw/zinc/66/09/32/1079660932.db2.gz BHNZCJKJMOHTCH-OAHLLOKOSA-N 0 3 324.428 2.182 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@]2(C)CCCOC2)cc1 ZINC001484563502 1079662396 /nfs/dbraw/zinc/66/23/96/1079662396.db2.gz PBNLSEQOWKUBDP-KXBFYZLASA-N 0 3 314.429 2.403 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1snnc1C ZINC001267988675 1079670279 /nfs/dbraw/zinc/67/02/79/1079670279.db2.gz XIOOGAHEYLDISA-NSHDSACASA-N 0 3 310.467 2.291 20 30 DEEDHN CCC[C@@H]1CCC[C@H]1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001484640036 1079706047 /nfs/dbraw/zinc/70/60/47/1079706047.db2.gz DKWVQFPEWBIOJS-IAGOWNOFSA-N 0 3 320.477 2.481 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2c(C)[nH]c3ccccc32)CCC1 ZINC001484649080 1079707007 /nfs/dbraw/zinc/70/70/07/1079707007.db2.gz OLGGBENINHTMHU-UHFFFAOYSA-N 0 3 309.413 2.281 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(C)nc2OCCC)CCC1 ZINC001484657571 1079711939 /nfs/dbraw/zinc/71/19/39/1079711939.db2.gz LEQJDBLLMWGSFE-UHFFFAOYSA-N 0 3 315.417 2.054 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)CC)CC1 ZINC001484703917 1079730826 /nfs/dbraw/zinc/73/08/26/1079730826.db2.gz LBBKVSNDSZBYJO-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CCCc2cccnc2)CC1 ZINC001484724856 1079747825 /nfs/dbraw/zinc/74/78/25/1079747825.db2.gz VIPUGLKSYJXFEK-GOSISDBHSA-N 0 3 313.445 2.398 20 30 DEEDHN CCC1(C(=O)N[C@@H]2CCCN(CC#CCOC)CC2)CCC1 ZINC001484721045 1079757260 /nfs/dbraw/zinc/75/72/60/1079757260.db2.gz ZRBNMHSRRBLLQE-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn(C)nc1C(C)(C)C ZINC001484762948 1079775467 /nfs/dbraw/zinc/77/54/67/1079775467.db2.gz WKARXXMZRHWRLW-UHFFFAOYSA-N 0 3 318.465 2.135 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC[C@H]2CCCO2)C1 ZINC001481392531 1079776417 /nfs/dbraw/zinc/77/64/17/1079776417.db2.gz JURVYYHVKCTGAT-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](Cc1ccccc1)OC ZINC001484767660 1079793873 /nfs/dbraw/zinc/79/38/73/1079793873.db2.gz NEEHSYMVCSEKDT-GOSISDBHSA-N 0 3 316.445 2.048 20 30 DEEDHN O=C(NCC[C@H]1CCN(CC#Cc2ccc(F)cc2)C1)C(F)F ZINC001481413260 1079804042 /nfs/dbraw/zinc/80/40/42/1079804042.db2.gz KKZKUKVGLYEXRJ-AWEZNQCLSA-N 0 3 324.346 2.271 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cccc(OC)n2)C1 ZINC001484896860 1079848450 /nfs/dbraw/zinc/84/84/50/1079848450.db2.gz COPDVUOVQBIVIO-ZBFHGGJFSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCC(=O)N1CCC(O)(CNCC=C(Cl)Cl)CC1 ZINC001484949494 1079873460 /nfs/dbraw/zinc/87/34/60/1079873460.db2.gz HRKBLHYMPGFPJW-UHFFFAOYSA-N 0 3 321.248 2.215 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)[C@H]2CC23CCCC3)C1 ZINC001481456487 1079887074 /nfs/dbraw/zinc/88/70/74/1079887074.db2.gz OXETZDIFSYBITE-IAGOWNOFSA-N 0 3 318.461 2.045 20 30 DEEDHN Cc1cnc([C@H](C)N[C@@H](C)CCNC(=O)C#CC(C)(C)C)cn1 ZINC001484992309 1079910753 /nfs/dbraw/zinc/91/07/53/1079910753.db2.gz FOVJULPJBJSCAG-ZFWWWQNUSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](CCC)OCC)CC2 ZINC001268046043 1079937875 /nfs/dbraw/zinc/93/78/75/1079937875.db2.gz QYGYYEPILXYPDI-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(F)c1)N(C)C(=O)C#CC1CC1 ZINC001268062481 1080001466 /nfs/dbraw/zinc/00/14/66/1080001466.db2.gz CMVGRZSAMZDNHH-GFCCVEGCSA-N 0 3 306.356 2.315 20 30 DEEDHN CCOC(=O)c1cc([N+](=O)[O-])c(NCC#CCN(C)C)cc1C ZINC001655747892 1080015807 /nfs/dbraw/zinc/01/58/07/1080015807.db2.gz BABJTSYZYBZZNT-UHFFFAOYSA-N 0 3 319.361 2.057 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)[C@H]1CC12CCCC2 ZINC001268114802 1080084916 /nfs/dbraw/zinc/08/49/16/1080084916.db2.gz IYFNFYCKQTYEMD-DLBZAZTESA-N 0 3 320.477 2.337 20 30 DEEDHN C#CCCCC(=O)N1CCC(CO[C@H]2CCN(CC=C)C2)CC1 ZINC001656877385 1080131302 /nfs/dbraw/zinc/13/13/02/1080131302.db2.gz MQLOAZXUNSNKIP-SFHVURJKSA-N 0 3 318.461 2.305 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)Cc1ccc(OCC#N)cc1 ZINC001485339853 1080153466 /nfs/dbraw/zinc/15/34/66/1080153466.db2.gz LAYGARXXHIZVIG-VBQJREDUSA-N 0 3 315.417 2.181 20 30 DEEDHN Cc1cc(CN[C@@H](C)[C@H]2CCCN(C(=O)C#CC(C)C)C2)on1 ZINC001268180481 1080170206 /nfs/dbraw/zinc/17/02/06/1080170206.db2.gz WVBDRCMBKAXHIX-HOTGVXAUSA-N 0 3 317.433 2.359 20 30 DEEDHN COc1ccc(CCN(C)CCN(C)C(=O)C#CC2CC2)cc1 ZINC001268238082 1080220773 /nfs/dbraw/zinc/22/07/73/1080220773.db2.gz VPLUWNILAJIAJK-UHFFFAOYSA-N 0 3 314.429 2.041 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cn2cc(C)sc2n1 ZINC001268241998 1080224893 /nfs/dbraw/zinc/22/48/93/1080224893.db2.gz DZKLABTZWYVYDQ-UHFFFAOYSA-N 0 3 320.462 2.213 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN(C)CCc2cnn(CC)c2)C1 ZINC001268248716 1080230419 /nfs/dbraw/zinc/23/04/19/1080230419.db2.gz IDUTXROELPYAPT-UHFFFAOYSA-N 0 3 318.465 2.192 20 30 DEEDHN C=C[C@H](CC(=O)N(C)CCN(C)C[C@H](C)O)c1ccccc1 ZINC001268260760 1080237718 /nfs/dbraw/zinc/23/77/18/1080237718.db2.gz YVSQDGPQXQDVBJ-JKSUJKDBSA-N 0 3 304.434 2.117 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C1CN(CCc2cnn(CC)c2)C1 ZINC001485506317 1080267704 /nfs/dbraw/zinc/26/77/04/1080267704.db2.gz MBSFSKWOERAIHW-HNNXBMFYSA-N 0 3 318.465 2.238 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001485521094 1080278619 /nfs/dbraw/zinc/27/86/19/1080278619.db2.gz YDHYHWSXPNKOET-GDBMZVCRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2n1CCCC2 ZINC001481683202 1080296350 /nfs/dbraw/zinc/29/63/50/1080296350.db2.gz PAIKEGFQKJIVSE-HOTGVXAUSA-N 0 3 314.433 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@H](C)NCC(=O)N(C)C ZINC001660440042 1080333164 /nfs/dbraw/zinc/33/31/64/1080333164.db2.gz MRVUDMPMVVYNBO-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001660586966 1080363816 /nfs/dbraw/zinc/36/38/16/1080363816.db2.gz BDJYDXXIVFUIMA-GASCZTMLSA-N 0 3 311.385 2.048 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001485704320 1080371938 /nfs/dbraw/zinc/37/19/38/1080371938.db2.gz MCBLAQJRUDLGOF-HDJSIYSDSA-N 0 3 314.857 2.430 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccccc1COC)C1CC1 ZINC001660699910 1080381284 /nfs/dbraw/zinc/38/12/84/1080381284.db2.gz UIYAVJOCNWZCNH-UHFFFAOYSA-N 0 3 314.429 2.441 20 30 DEEDHN Cc1csc(CNCCC[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001485720845 1080391076 /nfs/dbraw/zinc/39/10/76/1080391076.db2.gz BHAAKWZRIKKEGT-LBPRGKRZSA-N 0 3 305.447 2.239 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)cn2ccnc12 ZINC001268384550 1080402569 /nfs/dbraw/zinc/40/25/69/1080402569.db2.gz AKCXKVSXRMHAPD-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccccc2CC)C1 ZINC001660855469 1080409999 /nfs/dbraw/zinc/40/99/99/1080409999.db2.gz JPOYUGNQIYWHNN-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2cc(C)n(C)n2)CCC1 ZINC001268396803 1080421551 /nfs/dbraw/zinc/42/15/51/1080421551.db2.gz LQIMSTGESVEBOL-CQSZACIVSA-N 0 3 318.465 2.459 20 30 DEEDHN CN(C(=O)C1CC1)[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001485796374 1080427556 /nfs/dbraw/zinc/42/75/56/1080427556.db2.gz KGGQIEDPIZGBIK-HNNXBMFYSA-N 0 3 303.431 2.356 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001661069465 1080437197 /nfs/dbraw/zinc/43/71/97/1080437197.db2.gz WMTQQJYNTWJJLC-HOTGVXAUSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001485811989 1080469697 /nfs/dbraw/zinc/46/96/97/1080469697.db2.gz XKTRTRFFXCGGDP-WFASDCNBSA-N 0 3 319.453 2.357 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001661366146 1080474291 /nfs/dbraw/zinc/47/42/91/1080474291.db2.gz SULUWXOTJMMQOD-VIFPVBQESA-N 0 3 314.282 2.070 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3cnoc3)CC2)C1=O ZINC001272713134 1080477892 /nfs/dbraw/zinc/47/78/92/1080477892.db2.gz VHHDJWWQYSWBKH-QGZVFWFLSA-N 0 3 303.406 2.455 20 30 DEEDHN O=C(Cc1ccoc1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661413408 1080478936 /nfs/dbraw/zinc/47/89/36/1080478936.db2.gz PYKGCFKOLMYAQK-IYARVYRRSA-N 0 3 308.381 2.111 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3ccnn3C)C2)C1=O ZINC001272735883 1080514657 /nfs/dbraw/zinc/51/46/57/1080514657.db2.gz PYQPGEMPNAOCQU-IBGZPJMESA-N 0 3 322.412 2.096 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001268457977 1080518423 /nfs/dbraw/zinc/51/84/23/1080518423.db2.gz WMDFOJRDBBLBMY-UHFFFAOYSA-N 0 3 316.430 2.213 20 30 DEEDHN C[C@@H](O)CCCN1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001661866539 1080535741 /nfs/dbraw/zinc/53/57/41/1080535741.db2.gz PSDDUBQDKNGLAP-CVEARBPZSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001661866519 1080535948 /nfs/dbraw/zinc/53/59/48/1080535948.db2.gz PHEHLTTTXQFMFQ-HZPDHXFCSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1ccc(OC)nc1 ZINC001661871326 1080537831 /nfs/dbraw/zinc/53/78/31/1080537831.db2.gz OQESXQSXEYEEGS-INIZCTEOSA-N 0 3 317.433 2.180 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)COCC1CCCC1 ZINC001661870903 1080538050 /nfs/dbraw/zinc/53/80/50/1080538050.db2.gz GLPMYDOUXXDMCT-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C3CC3)CC2)C1 ZINC001661997186 1080559755 /nfs/dbraw/zinc/55/97/55/1080559755.db2.gz QRJFQCFHMHNZEC-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cncs2)CCCC1 ZINC001481899363 1080591140 /nfs/dbraw/zinc/59/11/40/1080591140.db2.gz SRRFIEIBWUCJBK-UHFFFAOYSA-N 0 3 313.854 2.457 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@@H]2OCC)CCCC1 ZINC001481889988 1080585335 /nfs/dbraw/zinc/58/53/35/1080585335.db2.gz KTTICEMXVZYVPX-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCOCCCC(=O)NCCNCc1cc(C)ccc1OC ZINC001125259777 1080612945 /nfs/dbraw/zinc/61/29/45/1080612945.db2.gz DHRAWNLXCYPKDJ-UHFFFAOYSA-N 0 3 320.433 2.192 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccnc(OC)c2)C1 ZINC001662533523 1080614595 /nfs/dbraw/zinc/61/45/95/1080614595.db2.gz MYQMWHNWOSYXOY-HNNXBMFYSA-N 0 3 303.406 2.137 20 30 DEEDHN C=C(C)CCC(=O)N[C@](C)(CNCc1ccnn1C)C1CC1 ZINC001481930837 1080619797 /nfs/dbraw/zinc/61/97/97/1080619797.db2.gz PJXFNNQYFWJHEA-QGZVFWFLSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CN[C@@H](C)c2cnccn2)C1 ZINC001662618923 1080622669 /nfs/dbraw/zinc/62/26/69/1080622669.db2.gz KNUKMYQYVUVLSV-HOTGVXAUSA-N 0 3 314.433 2.169 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cnn(C)c2)CCCC[C@H]1C ZINC001481954467 1080646347 /nfs/dbraw/zinc/64/63/47/1080646347.db2.gz MJHHRUFEBKIMSA-WBMJQRKESA-N 0 3 324.856 2.441 20 30 DEEDHN Cc1nc(CNCCC2CCN(C(=O)[C@@H](C)C#N)CC2)cs1 ZINC001481996350 1080677405 /nfs/dbraw/zinc/67/74/05/1080677405.db2.gz DUIMGBWAMCYNPC-LBPRGKRZSA-N 0 3 320.462 2.330 20 30 DEEDHN Cc1cc(CN2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)on1 ZINC001107329531 1080731955 /nfs/dbraw/zinc/73/19/55/1080731955.db2.gz YJJFMJNUCPDRNM-XGWLTEMNSA-N 0 3 316.405 2.004 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001663639653 1080795562 /nfs/dbraw/zinc/79/55/62/1080795562.db2.gz VHEBWOLWKPOGAR-KRWDZBQOSA-N 0 3 310.441 2.406 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1c(CC)nn(C)c1Cl ZINC001663687808 1080802301 /nfs/dbraw/zinc/80/23/01/1080802301.db2.gz HDJUDRAWVQBVIH-UHFFFAOYSA-N 0 3 324.856 2.101 20 30 DEEDHN C=CCN(CCNC(=O)Cc1ccc2c(c1)COC2)C1CC1 ZINC001663772933 1080816255 /nfs/dbraw/zinc/81/62/55/1080816255.db2.gz ISDPZNARXFRKJA-UHFFFAOYSA-N 0 3 300.402 2.026 20 30 DEEDHN C#Cc1cncc(C(=O)NC/C=C\CNCc2cccc(F)c2)c1 ZINC001268591321 1080837219 /nfs/dbraw/zinc/83/72/19/1080837219.db2.gz QTCHOCPQJFQHOP-ARJAWSKDSA-N 0 3 323.371 2.278 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1ccccc1OCC(C)C ZINC001268608412 1080887353 /nfs/dbraw/zinc/88/73/53/1080887353.db2.gz XBDJWMXUDULUFH-FPLPWBNLSA-N 0 3 300.402 2.230 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cnn(CCC(C)C)c1C ZINC001268615141 1080893495 /nfs/dbraw/zinc/89/34/95/1080893495.db2.gz WSRZWOHLVUWEAU-FPLPWBNLSA-N 0 3 316.449 2.137 20 30 DEEDHN C=CCC1(C(=O)NC/C=C/CNCC#CCOC)CCCCC1 ZINC001268626970 1080902413 /nfs/dbraw/zinc/90/24/13/1080902413.db2.gz FJAVZIJXNFEESV-BQYQJAHWSA-N 0 3 318.461 2.425 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1sc(Cl)nc1Cl ZINC001268624988 1080902592 /nfs/dbraw/zinc/90/25/92/1080902592.db2.gz JPVZOWAUYDLTOT-SNAWJCMRSA-N 0 3 318.229 2.349 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001268629584 1080904167 /nfs/dbraw/zinc/90/41/67/1080904167.db2.gz XLGRKBJGOPSLJW-DKRLNXSXSA-N 0 3 300.402 2.084 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNC/C=C/Cl)CCOCC1 ZINC001268670968 1080926366 /nfs/dbraw/zinc/92/63/66/1080926366.db2.gz QGUDMERJYCZPED-FLUIGGAXSA-N 0 3 300.830 2.206 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccnc2[nH]cnc21)c1ccccc1 ZINC001664578437 1080928170 /nfs/dbraw/zinc/92/81/70/1080928170.db2.gz NUWJXLSPHUIXQA-HNNXBMFYSA-N 0 3 321.384 2.205 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccncc2F)C1 ZINC001664655102 1080935767 /nfs/dbraw/zinc/93/57/67/1080935767.db2.gz GFFSUCYLUBJSFS-AWEZNQCLSA-N 0 3 303.381 2.171 20 30 DEEDHN C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1C ZINC001268699237 1080939791 /nfs/dbraw/zinc/93/97/91/1080939791.db2.gz GHMVGNYMMCSBFI-DVOMOZLQSA-N 0 3 304.821 2.442 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCn2ccnc2)C1 ZINC001664674218 1080941265 /nfs/dbraw/zinc/94/12/65/1080941265.db2.gz YQUBEKLZADEDHL-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C)cc1 ZINC001268728584 1080955649 /nfs/dbraw/zinc/95/56/49/1080955649.db2.gz GLXAVJOOJKXGJW-MAUKXSAKSA-N 0 3 304.434 2.259 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001268732937 1080958979 /nfs/dbraw/zinc/95/89/79/1080958979.db2.gz QXBZGGCOPIAGMT-WBVHZDCISA-N 0 3 301.434 2.278 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C[C@H](F)CC)C2)cn1 ZINC001664849895 1080971442 /nfs/dbraw/zinc/97/14/42/1080971442.db2.gz VDYSPYDXCRKRAM-GOEBONIOSA-N 0 3 317.408 2.205 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)c1cccnc1 ZINC001268774894 1080980780 /nfs/dbraw/zinc/98/07/80/1080980780.db2.gz BGRYWEPSFRSXPK-UHFFFAOYSA-N 0 3 312.211 2.042 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCCNCc1cc2n(n1)CCC2 ZINC001268795784 1080995829 /nfs/dbraw/zinc/99/58/29/1080995829.db2.gz LCXZJINCUOLCBT-UHFFFAOYSA-N 0 3 304.438 2.124 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCC1 ZINC001665425536 1081027961 /nfs/dbraw/zinc/02/79/61/1081027961.db2.gz ZFKROMKMYXWNDX-YESZJQIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001268934166 1081046982 /nfs/dbraw/zinc/04/69/82/1081046982.db2.gz ACYMLXTZOKSGSE-UHFFFAOYSA-N 0 3 322.840 2.467 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCC2 ZINC001268943901 1081053061 /nfs/dbraw/zinc/05/30/61/1081053061.db2.gz BJMWCLCWYIEUKO-ILXRZTDVSA-N 0 3 314.433 2.083 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCc2ccccc2OC)C1 ZINC001665681255 1081062614 /nfs/dbraw/zinc/06/26/14/1081062614.db2.gz BAGPMIQJCMYZCJ-QGZVFWFLSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001665681701 1081062810 /nfs/dbraw/zinc/06/28/10/1081062810.db2.gz LTJQROPQICDPJD-IAGOWNOFSA-N 0 3 314.429 2.318 20 30 DEEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)NCc1cnc(C)s1 ZINC001665787978 1081081583 /nfs/dbraw/zinc/08/15/83/1081081583.db2.gz KWIUUGYOKWQBHZ-CYBMUJFWSA-N 0 3 307.463 2.485 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC001269042080 1081095445 /nfs/dbraw/zinc/09/54/45/1081095445.db2.gz LDDGTCFASAZHST-KRWDZBQOSA-N 0 3 320.408 2.151 20 30 DEEDHN Cc1ncsc1CNC[C@H](NC(=O)C#CC(C)(C)C)C1CC1 ZINC001269072088 1081106071 /nfs/dbraw/zinc/10/60/71/1081106071.db2.gz XVILJESVFQJSHB-AWEZNQCLSA-N 0 3 319.474 2.485 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C2Cc3ccccc3C2)cc1 ZINC001666344730 1081146911 /nfs/dbraw/zinc/14/69/11/1081146911.db2.gz NVADQCCNTIZPJY-UHFFFAOYSA-N 0 3 318.420 2.441 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001666414988 1081151536 /nfs/dbraw/zinc/15/15/36/1081151536.db2.gz GXLIGYZLXXULEU-OAHLLOKOSA-N 0 3 319.836 2.475 20 30 DEEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001269256413 1081186493 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C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC(C)(C)O ZINC001667252519 1081229708 /nfs/dbraw/zinc/22/97/08/1081229708.db2.gz ALOZPZYMOMYEJN-CYBMUJFWSA-N 0 3 302.846 2.261 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001667701265 1081276619 /nfs/dbraw/zinc/27/66/19/1081276619.db2.gz JJDCMEGOLNTFSX-FEGLDZKKSA-N 0 3 312.841 2.254 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccc(C)nn2)C1 ZINC001269729225 1081348319 /nfs/dbraw/zinc/34/83/19/1081348319.db2.gz BXNUASFDTYFFCE-AWEZNQCLSA-N 0 3 322.840 2.369 20 30 DEEDHN Cc1nocc1CNCC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001269730458 1081349277 /nfs/dbraw/zinc/34/92/77/1081349277.db2.gz PNVUGZMUNGFNPJ-INIZCTEOSA-N 0 3 315.417 2.115 20 30 DEEDHN C#CCCN1CC(N(CC)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000950493433 1081353001 /nfs/dbraw/zinc/35/30/01/1081353001.db2.gz XEWMEVYJJGDTHP-UHFFFAOYSA-N 0 3 320.824 2.110 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccn(C2CCCC2)n1 ZINC001668442423 1081356513 /nfs/dbraw/zinc/35/65/13/1081356513.db2.gz VYIYDPQJTLIRIS-UHFFFAOYSA-N 0 3 302.422 2.073 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1cccc2cccnc21 ZINC001668512649 1081363221 /nfs/dbraw/zinc/36/32/21/1081363221.db2.gz OXJRWXYSVVADIE-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)c1cc[nH]c1C)CC2 ZINC001482242615 1081364977 /nfs/dbraw/zinc/36/49/77/1081364977.db2.gz WXKPERIRVNZGIC-UHFFFAOYSA-N 0 3 317.433 2.064 20 30 DEEDHN Cc1ccc(C(=O)NC/C=C/CNCc2cccc(C#N)c2)n1C ZINC001668701915 1081384466 /nfs/dbraw/zinc/38/44/66/1081384466.db2.gz GHPRMIJPSDOOML-ONEGZZNKSA-N 0 3 322.412 2.281 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)c2ccc3cncn3c2C)C1 ZINC000950692264 1081394212 /nfs/dbraw/zinc/39/42/12/1081394212.db2.gz INGBKWUEWNNBPR-UHFFFAOYSA-N 0 3 312.417 2.365 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C2(C(F)F)CC2)c1 ZINC001668822227 1081401782 /nfs/dbraw/zinc/40/17/82/1081401782.db2.gz WLCIJHSTDRGWPY-OWOJBTEDSA-N 0 3 319.355 2.366 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(F)cc2ccoc21 ZINC001668899852 1081408621 /nfs/dbraw/zinc/40/86/21/1081408621.db2.gz 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C=C1CC(C)(C(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N(CC)CC)C1 ZINC001482331237 1081725634 /nfs/dbraw/zinc/72/56/34/1081725634.db2.gz XMYRBPXCBMSALD-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)C#CC(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001673164221 1081742786 /nfs/dbraw/zinc/74/27/86/1081742786.db2.gz NFZDHFYAPYGZFM-UHFFFAOYSA-N 0 3 303.381 2.009 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)cc1 ZINC001095853998 1081756361 /nfs/dbraw/zinc/75/63/61/1081756361.db2.gz GSJXFCUFBWNLFJ-NBMRYCAZSA-N 0 3 312.413 2.038 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)CCC3CC3)C2)CC1 ZINC001673346950 1081757098 /nfs/dbraw/zinc/75/70/98/1081757098.db2.gz GLRAYOCBCBPCNA-GOSISDBHSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N2CCN(CCC)CC2)C1 ZINC001673352460 1081757664 /nfs/dbraw/zinc/75/76/64/1081757664.db2.gz MFBDYWVZTNXPKV-SJORKVTESA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001673474310 1081773228 /nfs/dbraw/zinc/77/32/28/1081773228.db2.gz 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C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cn(C)cn1 ZINC001271514738 1082071618 /nfs/dbraw/zinc/07/16/18/1082071618.db2.gz UEXZQNVVMKBYCE-ZDUSSCGKSA-N 0 3 310.829 2.147 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccnn1CC(C)C ZINC001266562843 1082161272 /nfs/dbraw/zinc/16/12/72/1082161272.db2.gz QOYOKIAMTCTYLR-UHFFFAOYSA-N 0 3 304.438 2.004 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC001266564467 1082161788 /nfs/dbraw/zinc/16/17/88/1082161788.db2.gz YYRDWYNCPGTOEM-AWEZNQCLSA-N 0 3 302.443 2.454 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](NCc3cnn(C)c3)C2)CCCC1 ZINC001266571880 1082167499 /nfs/dbraw/zinc/16/74/99/1082167499.db2.gz LYQMBPLCBUAEBL-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ccns1 ZINC001271837028 1082168464 /nfs/dbraw/zinc/16/84/64/1082168464.db2.gz HEYUIXJIHMIBPC-CQSZACIVSA-N 0 3 307.463 2.423 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266575804 1082169614 /nfs/dbraw/zinc/16/96/14/1082169614.db2.gz AJBASHMFSWVCAI-JQFCIGGWSA-N 0 3 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C=C(C)CN1CC[C@@]2(CCN(Cc3cncc(OC)c3)C2)C1=O ZINC001272788555 1084059273 /nfs/dbraw/zinc/05/92/73/1084059273.db2.gz KGVRIHDVCAVUGZ-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C2(CCOC)CCC2)C1 ZINC001491129128 1084093832 /nfs/dbraw/zinc/09/38/32/1084093832.db2.gz PTFWBWRVLFZXGB-MRXNPFEDSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001491128990 1084094881 /nfs/dbraw/zinc/09/48/81/1084094881.db2.gz FPGYOZHIDRZOHX-CABCVRRESA-N 0 3 302.393 2.391 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001491199938 1084145371 /nfs/dbraw/zinc/14/53/71/1084145371.db2.gz WKVFNTUZTATJOQ-HNNXBMFYSA-N 0 3 305.422 2.110 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001491233745 1084171249 /nfs/dbraw/zinc/17/12/49/1084171249.db2.gz GAUAHFNMEXYFFT-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@H](C)CCC=C ZINC001671015877 1084207593 /nfs/dbraw/zinc/20/75/93/1084207593.db2.gz 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C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001410225413 1090438501 /nfs/dbraw/zinc/43/85/01/1090438501.db2.gz NATMFGKEDSWATJ-QEJZJMRPSA-N 0 3 319.836 2.348 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cccn1 ZINC001098916371 1090444237 /nfs/dbraw/zinc/44/42/37/1090444237.db2.gz PIBFHHPXEDWMAI-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3nccs3)[C@@H]2C1 ZINC001084839476 1090470840 /nfs/dbraw/zinc/47/08/40/1090470840.db2.gz IVZXNABPEXSPDC-ZIAGYGMSSA-N 0 3 305.447 2.185 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](OC)C3CCCCC3)[C@@H]2C1 ZINC001084876888 1090491452 /nfs/dbraw/zinc/49/14/52/1090491452.db2.gz CIJVGQFZNUNNHK-KZNAEPCWSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2ccccc2)C[C@H]1O ZINC001099856219 1090553995 /nfs/dbraw/zinc/55/39/95/1090553995.db2.gz UEKLZZAFLUWCEK-ZWKOTPCHSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2cccs2)C[C@H]1O ZINC001099858964 1090556712 /nfs/dbraw/zinc/55/67/12/1090556712.db2.gz URFDNQUYQQROHD-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)C[C@@H]21 ZINC001085020175 1090593528 /nfs/dbraw/zinc/59/35/28/1090593528.db2.gz JLOHFWMTJWHFHC-MNEFBYGVSA-N 0 3 308.425 2.272 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285555 1090708426 /nfs/dbraw/zinc/70/84/26/1090708426.db2.gz RSWNEMZUCHUXIA-HNNXBMFYSA-N 0 3 318.392 2.436 20 30 DEEDHN C=CCN1CC2(CCC1=O)CC[NH+](Cc1ncccc1[O-])CC2 ZINC001273324782 1091051337 /nfs/dbraw/zinc/05/13/37/1091051337.db2.gz CIJCXBPSMQVAAB-UHFFFAOYSA-N 0 3 315.417 2.178 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)C#CC(C)C ZINC001273362647 1091092072 /nfs/dbraw/zinc/09/20/72/1091092072.db2.gz DXNJSRMCDYETFX-UHFFFAOYSA-N 0 3 303.431 2.217 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccn2nccc2c1 ZINC001274321935 1091189117 /nfs/dbraw/zinc/18/91/17/1091189117.db2.gz WTBNUJMIJMANKM-IAGOWNOFSA-N 0 3 310.401 2.086 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC001273399840 1091193316 /nfs/dbraw/zinc/19/33/16/1091193316.db2.gz ORHMKYLXBWJWNC-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3occc3OC)CC2)C1=O ZINC001274462339 1091256205 /nfs/dbraw/zinc/25/62/05/1091256205.db2.gz VNVYNHSLGODBTO-GOSISDBHSA-N 0 3 316.401 2.126 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3c[nH]c(C)n3)CC2)C1=O ZINC001274576410 1091305030 /nfs/dbraw/zinc/30/50/30/1091305030.db2.gz NFTSQCVVSADABO-QGZVFWFLSA-N 0 3 302.422 2.109 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O ZINC001274577204 1091305980 /nfs/dbraw/zinc/30/59/80/1091305980.db2.gz WVKOUMSFOKJQDH-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCOc2ccccc2)C[C@H]1C ZINC001274662501 1091359654 /nfs/dbraw/zinc/35/96/54/1091359654.db2.gz IWMXYJPNEXIUNQ-HZPDHXFCSA-N 0 3 300.402 2.058 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2cc(C)ncn2)cc1 ZINC001274764129 1091402503 /nfs/dbraw/zinc/40/25/03/1091402503.db2.gz YXNXTCBPAZTIRY-AWEZNQCLSA-N 0 3 322.412 2.065 20 30 DEEDHN C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)COC ZINC001274847796 1091443209 /nfs/dbraw/zinc/44/32/09/1091443209.db2.gz QGJHWVPLWVXQOU-KRWDZBQOSA-N 0 3 302.418 2.315 20 30 DEEDHN C#CCCCCC(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001274989602 1091505630 /nfs/dbraw/zinc/50/56/30/1091505630.db2.gz GWHKMVNAJUBXAY-INIZCTEOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC001276137628 1091589703 /nfs/dbraw/zinc/58/97/03/1091589703.db2.gz YMRBLWVWHFOLBR-XHDPSFHLSA-N 0 3 324.856 2.266 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)on1 ZINC001275350307 1091682854 /nfs/dbraw/zinc/68/28/54/1091682854.db2.gz ZZPXQNSGRBEZMF-GJZGRUSLSA-N 0 3 311.385 2.131 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(CO)ccc1F ZINC001275364692 1091690125 /nfs/dbraw/zinc/69/01/25/1091690125.db2.gz FTTWGOAIFTXVED-CHWSQXEVSA-N 0 3 308.397 2.267 20 30 DEEDHN CCn1cc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)cn1 ZINC001275365280 1091691230 /nfs/dbraw/zinc/69/12/30/1091691230.db2.gz IUNCKTVGHNDTFT-CVEARBPZSA-N 0 3 324.428 2.051 20 30 DEEDHN CCN1C[C@H](NC(=O)c2[nH]c3ccccc3c2C#N)C(C)(C)C1 ZINC001412708900 1091706920 /nfs/dbraw/zinc/70/69/20/1091706920.db2.gz YPEPEWMBGKITGY-HNNXBMFYSA-N 0 3 310.401 2.500 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001275412216 1091725931 /nfs/dbraw/zinc/72/59/31/1091725931.db2.gz FXEGDHOVFPGRCY-NEPJUHHUSA-N 0 3 305.426 2.021 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC[C@@H]3CCCCO3)C[C@]2(C)C1 ZINC001092062961 1091781657 /nfs/dbraw/zinc/78/16/57/1091781657.db2.gz DYCOMJUGMSSCBP-AOIWGVFYSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2ncccc2F)CC1 ZINC000948722542 1091901472 /nfs/dbraw/zinc/90/14/72/1091901472.db2.gz RTSZVBSKGOZJEM-HNNXBMFYSA-N 0 3 317.408 2.099 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@]12CCO[C@@H]1CCCC2 ZINC001273534844 1091908408 /nfs/dbraw/zinc/90/84/08/1091908408.db2.gz LGZAADDMCNGICN-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001273535143 1091911035 /nfs/dbraw/zinc/91/10/35/1091911035.db2.gz SWUNIJAJTWKMNV-ZDUSSCGKSA-N 0 3 308.372 2.482 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cn(C)nc1C1CCCC1 ZINC001275649638 1091943447 /nfs/dbraw/zinc/94/34/47/1091943447.db2.gz XJXAYBOWKISVLZ-CYBMUJFWSA-N 0 3 304.438 2.314 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C(C)C)no2)CC1 ZINC000948829741 1091959717 /nfs/dbraw/zinc/95/97/17/1091959717.db2.gz UVVYAFMRKFJVHL-CQSZACIVSA-N 0 3 303.406 2.358 20 30 DEEDHN N#Cc1ccc(CN2CC[C@]3(CCN(C4CCCC4)C3=O)C2)nc1 ZINC001273631305 1091964888 /nfs/dbraw/zinc/96/48/88/1091964888.db2.gz GOJHWARONAORCI-IBGZPJMESA-N 0 3 324.428 2.320 20 30 DEEDHN C#CCOC[C@H](O)CN(C)Cc1cccc(C(F)(F)F)c1 ZINC001251848003 1092043392 /nfs/dbraw/zinc/04/33/92/1092043392.db2.gz RGWYDMFEYVFZIQ-CQSZACIVSA-N 0 3 301.308 2.148 20 30 DEEDHN C#CCOC[C@@H](O)CNCc1c(C)cc(Cl)cc1Cl ZINC001251884553 1092047159 /nfs/dbraw/zinc/04/71/59/1092047159.db2.gz BICDRQKJPHZGFP-LBPRGKRZSA-N 0 3 302.201 2.402 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2ccncc2)cc1F ZINC001273804464 1092079943 /nfs/dbraw/zinc/07/99/43/1092079943.db2.gz IKODDILXXHUDCG-UPHRSURJSA-N 0 3 324.359 2.168 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(CC)cc1 ZINC001275827905 1092187768 /nfs/dbraw/zinc/18/77/68/1092187768.db2.gz OSPIMABCLNGDLC-HOTGVXAUSA-N 0 3 316.445 2.224 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1CCn1nc(C)cc1C ZINC001493124016 1092253944 /nfs/dbraw/zinc/25/39/44/1092253944.db2.gz NDGVDTVNDUOGRI-INIZCTEOSA-N 0 3 318.465 2.293 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2c(C)n[nH]c2C)C1 ZINC001494922211 1092300310 /nfs/dbraw/zinc/30/03/10/1092300310.db2.gz UMLIHUJHECNYIK-HNNXBMFYSA-N 0 3 304.438 2.068 20 30 DEEDHN CCc1ocnc1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001273918665 1092506863 /nfs/dbraw/zinc/50/68/63/1092506863.db2.gz HPBPAUTUZKAWCV-ARJAWSKDSA-N 0 3 324.384 2.184 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)CN(C)CCC)CC[C@@H]1C ZINC001488694094 1092691159 /nfs/dbraw/zinc/69/11/59/1092691159.db2.gz VWKMFQHJNCOXLB-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1C[C@@H](NCc2cncs2)C1 ZINC001488730683 1092710299 /nfs/dbraw/zinc/71/02/99/1092710299.db2.gz RZXOLBCQYFONLL-BETUJISGSA-N 0 3 305.447 2.177 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001488902641 1092807454 /nfs/dbraw/zinc/80/74/54/1092807454.db2.gz RVHVHCOVGZVTJQ-JKIFEVAISA-N 0 3 310.401 2.092 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccccc1 ZINC001489091449 1092940889 /nfs/dbraw/zinc/94/08/89/1092940889.db2.gz XCFCOLVNXZUOPK-ZHALLVOQSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001489166855 1092962380 /nfs/dbraw/zinc/96/23/80/1092962380.db2.gz FXOGLHCHKLEFLM-HZPDHXFCSA-N 0 3 308.466 2.284 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCn2nc(C)cc2C)[C@@H]1C ZINC001489268174 1092993062 /nfs/dbraw/zinc/99/30/62/1092993062.db2.gz XINZABCOACSNPV-SJORKVTESA-N 0 3 318.465 2.435 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C[C@@H](C)c1c(C)noc1C ZINC001490215828 1093230052 /nfs/dbraw/zinc/23/00/52/1093230052.db2.gz YSVUNKUNRJKBNL-CYBMUJFWSA-N 0 3 305.422 2.246 20 30 DEEDHN C#CCOCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=C)Cl ZINC001490295152 1093280435 /nfs/dbraw/zinc/28/04/35/1093280435.db2.gz IUSHENABYJWTOK-HUUCEWRRSA-N 0 3 312.841 2.138 20 30 DEEDHN C#CCOCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=C)Cl ZINC001490295148 1093280587 /nfs/dbraw/zinc/28/05/87/1093280587.db2.gz IUSHENABYJWTOK-CABCVRRESA-N 0 3 312.841 2.138 20 30 DEEDHN C#CCN(CCCNC(=O)c1cn(C(C)(C)C)nc1C)C1CC1 ZINC001490372988 1093328893 /nfs/dbraw/zinc/32/88/93/1093328893.db2.gz ZZUNZLKOQICFES-UHFFFAOYSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2ccccc2F)CC1 ZINC001490462145 1093396709 /nfs/dbraw/zinc/39/67/09/1093396709.db2.gz LEZQHQQSWPCSGG-UHFFFAOYSA-N 0 3 319.424 2.139 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)/C=C/c2ccc[nH]2)c1 ZINC001273982022 1093708424 /nfs/dbraw/zinc/70/84/24/1093708424.db2.gz GQRTWFDCWXXMFK-ZYAMMKLPSA-N 0 3 320.396 2.362 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccc(Cl)c(C)n3)C2)C1=O ZINC001273993409 1093725631 /nfs/dbraw/zinc/72/56/31/1093725631.db2.gz XZQFMDQRNWDGGR-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(Cc3ccsc3C)C2)OCC1=O ZINC001274074425 1093790625 /nfs/dbraw/zinc/79/06/25/1093790625.db2.gz UXDMIFGFORZAMZ-KRWDZBQOSA-N 0 3 320.458 2.436 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2scnc2C)[C@@H](C)C1 ZINC001274188950 1093841049 /nfs/dbraw/zinc/84/10/49/1093841049.db2.gz NCIGXBAISXTHLU-JSGCOSHPSA-N 0 3 305.447 2.192 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)N(C)CCn2cccn2)CCC1 ZINC001329542000 1148916936 /nfs/dbraw/zinc/91/69/36/1148916936.db2.gz SATHMJZLLCCNND-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC001691889197 1138292086 /nfs/dbraw/zinc/29/20/86/1138292086.db2.gz YDMMCDZWBBBBMW-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CC12CCOCC2 ZINC001277373291 1138329938 /nfs/dbraw/zinc/32/99/38/1138329938.db2.gz TZTYFQPEQPCFMY-ZIAGYGMSSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@@H](CN1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1)c1ccccc1 ZINC001277986035 1138379444 /nfs/dbraw/zinc/37/94/44/1138379444.db2.gz QLRWJDUYUJRYEU-MAUKXSAKSA-N 0 3 323.440 2.484 20 30 DEEDHN N#Cc1ccc(CN2CCN3CC[C@@H]3C2)cc1Br ZINC001236858700 1138444987 /nfs/dbraw/zinc/44/49/87/1138444987.db2.gz DOFBBRNFDCKDTM-CYBMUJFWSA-N 0 3 306.207 2.211 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C2CCC(F)CC2)CC1 ZINC001281817480 1138455295 /nfs/dbraw/zinc/45/52/95/1138455295.db2.gz RXNLAINCIQHAMY-UHFFFAOYSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccn4nccc4c3)C2)C1=O ZINC001237536729 1138669774 /nfs/dbraw/zinc/66/97/74/1138669774.db2.gz BQWRDODPVONPPK-LJQANCHMSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NCc1ccccc1C ZINC001278127790 1138740662 /nfs/dbraw/zinc/74/06/62/1138740662.db2.gz FBNGBJPRRYFZRQ-INIZCTEOSA-N 0 3 304.434 2.164 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)N[C@H](C)c1ccccc1C ZINC001278130223 1138746642 /nfs/dbraw/zinc/74/66/42/1138746642.db2.gz TXCVKRNMHJPIAN-CABCVRRESA-N 0 3 304.434 2.335 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CO)NCc2cccc(C)c2)CC1 ZINC001278146273 1138788908 /nfs/dbraw/zinc/78/89/08/1138788908.db2.gz FHTZPVNJXXUAQW-GOSISDBHSA-N 0 3 316.445 2.308 20 30 DEEDHN C#CCN(C(=O)[C@H](OCC)C1CC1)C1CCN(CC(=C)C)CC1 ZINC001278150730 1138800726 /nfs/dbraw/zinc/80/07/26/1138800726.db2.gz ACIBSHIFXDVQJP-GOSISDBHSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCN(C(=O)c1cccc2nccn21)C1CCN(CC=C)CC1 ZINC001278163912 1138811265 /nfs/dbraw/zinc/81/12/65/1138811265.db2.gz XORQRTQSHVHXBJ-UHFFFAOYSA-N 0 3 322.412 2.060 20 30 DEEDHN C#CCN(C(=O)c1ccncc1Cl)C1CCN(CC=C)CC1 ZINC001278185157 1138820663 /nfs/dbraw/zinc/82/06/63/1138820663.db2.gz YWCUIZDEUIZAFO-UHFFFAOYSA-N 0 3 317.820 2.461 20 30 DEEDHN Cn1cc(CN2CCC23CN(CCCn2cccc2)C3)cc1C#N ZINC001278191993 1138825138 /nfs/dbraw/zinc/82/51/38/1138825138.db2.gz OVULZGVZMMUWBH-UHFFFAOYSA-N 0 3 323.444 2.049 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cncnc1C)C2 ZINC001238163557 1138829638 /nfs/dbraw/zinc/82/96/38/1138829638.db2.gz GEINDURMDBDOAF-ZWKOTPCHSA-N 0 3 317.433 2.359 20 30 DEEDHN N#CCC1CN(C(=O)[C@@]23C[C@@H]2CCN3CCCc2ccccc2)C1 ZINC001278199552 1138832924 /nfs/dbraw/zinc/83/29/24/1138832924.db2.gz WXWXFYKLNXFQDC-AZUAARDMSA-N 0 3 323.440 2.456 20 30 DEEDHN Cc1cc(CN[C@@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)sn1 ZINC001278251400 1138857710 /nfs/dbraw/zinc/85/77/10/1138857710.db2.gz ODPUCXNOQLFXDR-DZGCQCFKSA-N 0 3 305.447 2.190 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C#CC1CC1 ZINC001278252523 1138858089 /nfs/dbraw/zinc/85/80/89/1138858089.db2.gz VYJTXAUYHIVTOD-VQIMIIECSA-N 0 3 306.409 2.031 20 30 DEEDHN CCCCCCCCCOC(=O)NCCCC[C@H](N)C(N)=O ZINC001239324456 1139021189 /nfs/dbraw/zinc/02/11/89/1139021189.db2.gz XLQHAWMTWVJXIZ-AWEZNQCLSA-N 0 3 315.458 2.446 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001294804460 1139276140 /nfs/dbraw/zinc/27/61/40/1139276140.db2.gz DFPGSWKGKURIQR-KBXCAEBGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001296107633 1139710315 /nfs/dbraw/zinc/71/03/15/1139710315.db2.gz APQTXAWRACIQQO-GASCZTMLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccnc(C#N)c1 ZINC001241183454 1139749543 /nfs/dbraw/zinc/74/95/43/1139749543.db2.gz POSUTPUEPUMXSL-UHFFFAOYSA-N 0 3 309.373 2.459 20 30 DEEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(C)F ZINC001278335500 1139849197 /nfs/dbraw/zinc/84/91/97/1139849197.db2.gz NLEPDLAMSDZSDO-GOEBONIOSA-N 0 3 302.393 2.365 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CN1CCc2ccccc21 ZINC001297378923 1139864938 /nfs/dbraw/zinc/86/49/38/1139864938.db2.gz KSRNHLGDSAYYEW-UHFFFAOYSA-N 0 3 301.434 2.015 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2c1OCCO2 ZINC001297380293 1139864943 /nfs/dbraw/zinc/86/49/43/1139864943.db2.gz VHFFRKAHHHHUJO-UHFFFAOYSA-N 0 3 304.390 2.038 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCN1C(=O)CN(C)CC(C)(C)C ZINC001299087998 1140141018 /nfs/dbraw/zinc/14/10/18/1140141018.db2.gz LEJHQOBOKSLLPA-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CC[NH2+][C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001318526136 1140359228 /nfs/dbraw/zinc/35/92/28/1140359228.db2.gz GCPHZJJRFPOCDE-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CC)N[C@H](C)C(=O)N(C)C)CCCC1 ZINC001318614828 1140372765 /nfs/dbraw/zinc/37/27/65/1140372765.db2.gz RUBADACMTXRTCD-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cnnc(C)c2)C1 ZINC001318788136 1140416873 /nfs/dbraw/zinc/41/68/73/1140416873.db2.gz JMVLBLHNMWDRCG-AWEZNQCLSA-N 0 3 322.840 2.369 20 30 DEEDHN Cc1nnsc1CN[C@H]1CC[C@H](NC(=O)C#CC(C)C)CC1 ZINC001318952705 1140476764 /nfs/dbraw/zinc/47/67/64/1140476764.db2.gz HQERJQOIMSAUQT-HDJSIYSDSA-N 0 3 320.462 2.023 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)C2(C)CCCC2)CC1 ZINC001319030489 1140492577 /nfs/dbraw/zinc/49/25/77/1140492577.db2.gz WUOMJFNGIBQDQC-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccnn1C ZINC001319846817 1140763154 /nfs/dbraw/zinc/76/31/54/1140763154.db2.gz FUAKYJPJLYQFNU-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN CC(C)[C@@H](CNC(=O)CSCC#N)NCc1ccccc1F ZINC001319897739 1140801390 /nfs/dbraw/zinc/80/13/90/1140801390.db2.gz AHQBJEZQQNSSMW-OAHLLOKOSA-N 0 3 323.437 2.313 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(F)cc2cccnc21 ZINC001320056123 1140817362 /nfs/dbraw/zinc/81/73/62/1140817362.db2.gz ZGPBMJSOTAASHC-UHFFFAOYSA-N 0 3 313.376 2.401 20 30 DEEDHN C=CCCC(=O)NC[C@@H](O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001320203529 1140838053 /nfs/dbraw/zinc/83/80/53/1140838053.db2.gz NCABPWKIZUYRFL-AAEUAGOBSA-N 0 3 312.360 2.059 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCNCc1nsc2ccccc12 ZINC001320369795 1140856486 /nfs/dbraw/zinc/85/64/86/1140856486.db2.gz BLGZKJFEOWIIRE-VXGBXAGGSA-N 0 3 316.430 2.440 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNCc2ccn(C)n2)CC1 ZINC001320542729 1140877852 /nfs/dbraw/zinc/87/78/52/1140877852.db2.gz JPCXPSOVNKVSSC-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)Cc1ccco1 ZINC001320583214 1140881944 /nfs/dbraw/zinc/88/19/44/1140881944.db2.gz ZVBQLODDOWVFQF-CQSZACIVSA-N 0 3 311.385 2.378 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1ccn(C)c1C ZINC001320842261 1140948810 /nfs/dbraw/zinc/94/88/10/1140948810.db2.gz BEFQLZPFDOKJHH-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC[C@@H]3CCCCO3)CCC[C@H]12 ZINC001278459009 1141013722 /nfs/dbraw/zinc/01/37/22/1141013722.db2.gz HMHBKBCHGOXLPU-XYJFISCASA-N 0 3 304.434 2.082 20 30 DEEDHN Cc1ccc(F)cc1CNC/C=C\CNC(=O)CSCC#N ZINC001320972930 1141015244 /nfs/dbraw/zinc/01/52/44/1141015244.db2.gz SPXTVBXHVMTAJJ-IHWYPQMZSA-N 0 3 321.421 2.153 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001321256527 1141101125 /nfs/dbraw/zinc/10/11/25/1141101125.db2.gz LWXOVOKNJSJCGD-IAGOWNOFSA-N 0 3 317.433 2.103 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001321443189 1141258184 /nfs/dbraw/zinc/25/81/84/1141258184.db2.gz JHACQMCJJBZZGS-LPADLIQXSA-N 0 3 314.429 2.438 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNCC(=O)NC1CCCCC1 ZINC001322002806 1141379872 /nfs/dbraw/zinc/37/98/72/1141379872.db2.gz OBPCZKVNOAILQD-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN N#Cc1ccc(-c2ccc(-c3noc([C@@H](N)CN)n3)cc2)cc1 ZINC001247683444 1141417495 /nfs/dbraw/zinc/41/74/95/1141417495.db2.gz CPPSPAHLRGMGQM-HNNXBMFYSA-N 0 3 305.341 2.234 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ccc(C)cc1F ZINC001322249081 1141488653 /nfs/dbraw/zinc/48/86/53/1141488653.db2.gz OQNUOGBUCGFBDZ-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN N#Cc1ccc(-c2noc(C[C@@H]3CNCCO3)n2)c2ccccc12 ZINC001248351680 1141778962 /nfs/dbraw/zinc/77/89/62/1141778962.db2.gz HQBIRLGBVNVGGY-CYBMUJFWSA-N 0 3 320.352 2.292 20 30 DEEDHN Cn1cccc1C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001322960341 1141782224 /nfs/dbraw/zinc/78/22/24/1141782224.db2.gz SDRNNXCTEPKBQV-SFHVURJKSA-N 0 3 321.424 2.175 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001323245534 1141831819 /nfs/dbraw/zinc/83/18/19/1141831819.db2.gz GOSDJKVXMXXYEE-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001323338183 1141844083 /nfs/dbraw/zinc/84/40/83/1141844083.db2.gz ZAIVWJDOWJIISN-LBPRGKRZSA-N 0 3 324.856 2.406 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C)n([C@H](C)CC)n2)CC1 ZINC001323479698 1141857549 /nfs/dbraw/zinc/85/75/49/1141857549.db2.gz LKKZUQHXCZGCGB-CYBMUJFWSA-N 0 3 302.422 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(CC#CC)CCOC)CC1 ZINC001323746001 1141882813 /nfs/dbraw/zinc/88/28/13/1141882813.db2.gz FMWSUZMGOLHZTC-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@](C)(C=C)CCOC)C2)C1 ZINC001323812785 1141888854 /nfs/dbraw/zinc/88/88/54/1141888854.db2.gz LKPRRAIUFDXFBF-OALUTQOASA-N 0 3 318.461 2.163 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cc(C)sn2)CC1 ZINC001249591578 1141941290 /nfs/dbraw/zinc/94/12/90/1141941290.db2.gz VWDWTYYKJCZZRT-UHFFFAOYSA-N 0 3 320.506 2.243 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001324156058 1142018277 /nfs/dbraw/zinc/01/82/77/1142018277.db2.gz ROOLILQYRBXCGD-IBGZPJMESA-N 0 3 306.409 2.032 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001324615214 1142153493 /nfs/dbraw/zinc/15/34/93/1142153493.db2.gz NYTQITPNFKRCLZ-APWZRJJASA-N 0 3 314.429 2.114 20 30 DEEDHN O[C@H](COc1ccc(F)cc1F)CN1CCC(S)CC1 ZINC001250856883 1142336874 /nfs/dbraw/zinc/33/68/74/1142336874.db2.gz OFRHQUSAVCGOMB-NSHDSACASA-N 0 3 303.374 2.099 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2occ3c2CCC3)CC1 ZINC001278617698 1142352479 /nfs/dbraw/zinc/35/24/79/1142352479.db2.gz JPAXOJJMASXTEE-UHFFFAOYSA-N 0 3 300.402 2.233 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1C[C@H](OC)C1(CC)CC ZINC001251528277 1142444274 /nfs/dbraw/zinc/44/42/74/1142444274.db2.gz IWUIIYATPGDKAK-CVEARBPZSA-N 0 3 323.481 2.177 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC001336722032 1142547096 /nfs/dbraw/zinc/54/70/96/1142547096.db2.gz JGBVTINBVMIQRS-CVEARBPZSA-N 0 3 323.481 2.334 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CCO[C@@H](CN(C)C)C1 ZINC001252124682 1142649296 /nfs/dbraw/zinc/64/92/96/1142649296.db2.gz SULVPAQJLDAFLQ-IRXDYDNUSA-N 0 3 300.487 2.360 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCC(F)(F)c1cc(F)cc(F)c1 ZINC001337069348 1142675316 /nfs/dbraw/zinc/67/53/16/1142675316.db2.gz SISPFTVZFIWXBJ-GFCCVEGCSA-N 0 3 317.286 2.194 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1cnc(-c2ccccc2)s1 ZINC001252481979 1142729285 /nfs/dbraw/zinc/72/92/85/1142729285.db2.gz GZPPBKMCCAFBTB-AWEZNQCLSA-N 0 3 304.415 2.463 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cccc(OC2CCOCC2)n1 ZINC001252622383 1142792810 /nfs/dbraw/zinc/79/28/10/1142792810.db2.gz TYCGQLAIFRESOK-OAHLLOKOSA-N 0 3 306.406 2.056 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)CCC(=O)N(CC)CC)C1 ZINC001278694005 1142840475 /nfs/dbraw/zinc/84/04/75/1142840475.db2.gz UUMIRJHJEZHLLC-GOSISDBHSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN1CCCO[C@H](C(=O)OC)C1 ZINC001253241777 1142857029 /nfs/dbraw/zinc/85/70/29/1142857029.db2.gz DCUIZIOQABMSFA-CVEARBPZSA-N 0 3 313.438 2.138 20 30 DEEDHN C#CCN(C(=O)c1ccn2c1nc(C)cc2C)C1CCN(C)CC1 ZINC001339145593 1142951898 /nfs/dbraw/zinc/95/18/98/1142951898.db2.gz BBQOWPPRAHNTRD-UHFFFAOYSA-N 0 3 324.428 2.121 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CC(N(C)C(=O)CN(CC)CC)C1 ZINC001339198474 1142978417 /nfs/dbraw/zinc/97/84/17/1142978417.db2.gz ORYCCHUOEUGIRI-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001278747868 1143002926 /nfs/dbraw/zinc/00/29/26/1143002926.db2.gz UFLREHMQDWSWGU-CQSZACIVSA-N 0 3 310.388 2.439 20 30 DEEDHN CC(C)(C)OC(=O)N1CCOC2(CCC(NCCC#N)CC2)C1 ZINC001254713995 1143313405 /nfs/dbraw/zinc/31/34/05/1143313405.db2.gz YQEOGGRUCMRDMT-UHFFFAOYSA-N 0 3 323.437 2.438 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC001340401809 1143337991 /nfs/dbraw/zinc/33/79/91/1143337991.db2.gz VRDPLRIULKOBNW-GJZGRUSLSA-N 0 3 312.360 2.452 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001340443790 1143347246 /nfs/dbraw/zinc/34/72/46/1143347246.db2.gz HLRNARZSWKVUAS-NWDGAFQWSA-N 0 3 313.396 2.191 20 30 DEEDHN C=CCn1c(C2CC=CC2)nnc1N1CCN(CC2CC2)CC1 ZINC001340465405 1143351983 /nfs/dbraw/zinc/35/19/83/1143351983.db2.gz MGYAOYXUWAMORX-UHFFFAOYSA-N 0 3 313.449 2.430 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC001340735803 1143422136 /nfs/dbraw/zinc/42/21/36/1143422136.db2.gz MKOCSAQLKNHMIL-XJKSGUPXSA-N 0 3 306.406 2.262 20 30 DEEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC001255162029 1143451323 /nfs/dbraw/zinc/45/13/23/1143451323.db2.gz FLBXSWVJKAKJNG-BZUAXINKSA-N 0 3 300.406 2.404 20 30 DEEDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](NCc1cc(C#N)co1)C2 ZINC001255198828 1143487815 /nfs/dbraw/zinc/48/78/15/1143487815.db2.gz OXAQJKMPCMOJMZ-ZSOGYDGISA-N 0 3 303.362 2.393 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001341047130 1143529666 /nfs/dbraw/zinc/52/96/66/1143529666.db2.gz XLWHKYMVYMADKY-GRYCIOLGSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCOc1cccc(NC(=O)c2cc3n(n2)CCC[C@@H]3N)c1 ZINC001341379091 1143592513 /nfs/dbraw/zinc/59/25/13/1143592513.db2.gz YDZBLELAIUGOCX-AWEZNQCLSA-N 0 3 312.373 2.494 20 30 DEEDHN N#CC(C(=O)Cc1cc(C2CC2)no1)C(=O)NCc1ccccc1 ZINC001342037365 1143774659 /nfs/dbraw/zinc/77/46/59/1143774659.db2.gz QULLGFBIDVGEKG-HNNXBMFYSA-N 0 3 323.352 2.120 20 30 DEEDHN C=CCCC[C@@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)OC ZINC001342596554 1143826010 /nfs/dbraw/zinc/82/60/10/1143826010.db2.gz AVSXVJXIRBIKMB-HUUCEWRRSA-N 0 3 304.390 2.091 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H]2CC[C@@H](C(=O)OCC)C2)C1 ZINC001257066824 1143884460 /nfs/dbraw/zinc/88/44/60/1143884460.db2.gz DAEZHHQQQGZRMV-RBSFLKMASA-N 0 3 324.421 2.095 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H]([C@@H](C)NCc2cscn2)C1 ZINC001279045440 1143953638 /nfs/dbraw/zinc/95/36/38/1143953638.db2.gz KSLBUSDKIFBHMJ-KGLIPLIRSA-N 0 3 323.462 2.062 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@H](CC)N(C)C)C1 ZINC001299574385 1144088735 /nfs/dbraw/zinc/08/87/35/1144088735.db2.gz OPRZDBBWOKPDKI-KSSFIOAISA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN(CC)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC001263098857 1144355466 /nfs/dbraw/zinc/35/54/66/1144355466.db2.gz QEELQAUILCTMRR-MRXNPFEDSA-N 0 3 310.486 2.010 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1cccc(C)c1 ZINC001263176554 1144359511 /nfs/dbraw/zinc/35/95/11/1144359511.db2.gz JGNYHYMUMTUUFM-HOTGVXAUSA-N 0 3 318.417 2.399 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc(CC)cn1 ZINC001263812242 1144398002 /nfs/dbraw/zinc/39/80/02/1144398002.db2.gz JUQNJAOHBVTEQU-QGZVFWFLSA-N 0 3 301.434 2.295 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(OC)no2)C1 ZINC001263902910 1144421522 /nfs/dbraw/zinc/42/15/22/1144421522.db2.gz AVOXUFZYSNEIJM-UONOGXRCSA-N 0 3 321.421 2.414 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](OCC)C3CC3)C2)CC1 ZINC001263936678 1144426715 /nfs/dbraw/zinc/42/67/15/1144426715.db2.gz JNNRZLYWNVSWBD-RDJZCZTQSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001264388770 1144524778 /nfs/dbraw/zinc/52/47/78/1144524778.db2.gz NHDZYTHBBPUOQK-BETUJISGSA-N 0 3 313.239 2.490 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC001264399689 1144528569 /nfs/dbraw/zinc/52/85/69/1144528569.db2.gz JHJOHKVNTQVFLV-MELADBBJSA-N 0 3 302.422 2.234 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)OCc2ccncc2)[C@H]1C ZINC001264720618 1144600553 /nfs/dbraw/zinc/60/05/53/1144600553.db2.gz VYCYXDIZVBRJLI-INMHGKMJSA-N 0 3 317.433 2.142 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cnn(C)c1 ZINC001265080301 1144638928 /nfs/dbraw/zinc/63/89/28/1144638928.db2.gz PWAYWQQGIPOPEP-HOCLYGCPSA-N 0 3 304.438 2.246 20 30 DEEDHN CCN(CCCNC(=O)[C@@H](C)C#N)Cc1cccc(Cl)n1 ZINC001265106311 1144645372 /nfs/dbraw/zinc/64/53/72/1144645372.db2.gz IZPIUPWDXGYFRK-LBPRGKRZSA-N 0 3 308.813 2.223 20 30 DEEDHN CCN(CCCNC(=O)c1cnco1)Cc1ccc(C#N)s1 ZINC001265124345 1144649715 /nfs/dbraw/zinc/64/97/15/1144649715.db2.gz AQLLMHJNWYWETN-UHFFFAOYSA-N 0 3 318.402 2.250 20 30 DEEDHN C#CCN(CCCNC(=O)COc1ccccc1Cl)C1CC1 ZINC001265182974 1144662208 /nfs/dbraw/zinc/66/22/08/1144662208.db2.gz XZRASJTWFCLQCM-UHFFFAOYSA-N 0 3 320.820 2.323 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001265213837 1144668292 /nfs/dbraw/zinc/66/82/92/1144668292.db2.gz ZOFCYRZYUYUYSJ-PBHICJAKSA-N 0 3 322.474 2.198 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCc2ccccc2F)CC1 ZINC001265333989 1144694978 /nfs/dbraw/zinc/69/49/78/1144694978.db2.gz IBDUEIVILFONMK-QGZVFWFLSA-N 0 3 314.404 2.362 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2ccns2)C2CC2)C1 ZINC001265370472 1144699110 /nfs/dbraw/zinc/69/91/10/1144699110.db2.gz RFGVSMHPDQZFHR-CQSZACIVSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@@H](NCc2oc(C(C)C)nc2C)C1 ZINC001265531175 1144709843 /nfs/dbraw/zinc/70/98/43/1144709843.db2.gz BFCLCFXNXRHBIQ-OKILXGFUSA-N 0 3 321.421 2.046 20 30 DEEDHN C[C@@H](C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)n1cccc1 ZINC001265534785 1144710226 /nfs/dbraw/zinc/71/02/26/1144710226.db2.gz NNURWBKFOQJEQN-YTQUADARSA-N 0 3 321.424 2.338 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001265553830 1144711543 /nfs/dbraw/zinc/71/15/43/1144711543.db2.gz DJTVZHNSLXFYTQ-KFWWJZLASA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001265582966 1144715053 /nfs/dbraw/zinc/71/50/53/1144715053.db2.gz XUTGQVPJKMXSAM-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001265592707 1144715787 /nfs/dbraw/zinc/71/57/87/1144715787.db2.gz HVWPPNSQUYTQBT-WMZOPIPTSA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CNCc2ccn(CC)n2)C1 ZINC001265607246 1144717560 /nfs/dbraw/zinc/71/75/60/1144717560.db2.gz LQCMWELJYUZDJY-MRXNPFEDSA-N 0 3 316.449 2.035 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001265621314 1144718748 /nfs/dbraw/zinc/71/87/48/1144718748.db2.gz HDCKZTJSTGRWOO-MRXNPFEDSA-N 0 3 318.465 2.413 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001265693132 1144729401 /nfs/dbraw/zinc/72/94/01/1144729401.db2.gz DUNDFADBAVPZGW-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)NCC(=O)N1CCCCCCC1 ZINC001265815714 1144743544 /nfs/dbraw/zinc/74/35/44/1144743544.db2.gz FVKILBDRGUSNJO-MRXNPFEDSA-N 0 3 323.481 2.230 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cn(C)nc2C)CCC1 ZINC001265820808 1144744264 /nfs/dbraw/zinc/74/42/64/1144744264.db2.gz ISAVXZSNVFBBHL-ZDUSSCGKSA-N 0 3 304.438 2.069 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cccnc2C)C1 ZINC001265897626 1144752362 /nfs/dbraw/zinc/75/23/62/1144752362.db2.gz SMEPWOPSGOPWNA-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](NCC#CC)C2)cc1 ZINC001265949208 1144766360 /nfs/dbraw/zinc/76/63/60/1144766360.db2.gz DIGKBZGZKYXATR-KRWDZBQOSA-N 0 3 312.413 2.008 20 30 DEEDHN C=C(C)C[N@H+](CCCNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001266138786 1144808865 /nfs/dbraw/zinc/80/88/65/1144808865.db2.gz UDNOJKNPTQZSKX-UHFFFAOYSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)C[N@@H+](CCCNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001266138786 1144808867 /nfs/dbraw/zinc/80/88/67/1144808867.db2.gz UDNOJKNPTQZSKX-UHFFFAOYSA-N 0 3 313.405 2.118 20 30 DEEDHN CC#CCN(CCCNC(=O)COC1CCCCC1)C1CC1 ZINC001266145638 1144809687 /nfs/dbraw/zinc/80/96/87/1144809687.db2.gz ZIUIODMDFQQYEO-UHFFFAOYSA-N 0 3 306.450 2.330 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H](C)Oc1ccccc1)C1CC1 ZINC001266171526 1144811505 /nfs/dbraw/zinc/81/15/05/1144811505.db2.gz CGMBOMBTTCHSIP-MRXNPFEDSA-N 0 3 314.429 2.448 20 30 DEEDHN CC(C)C#CC(=O)N(C)C1CCN(CCc2ccns2)CC1 ZINC001266181462 1144812080 /nfs/dbraw/zinc/81/20/80/1144812080.db2.gz FZCAIOUHWHLSDZ-UHFFFAOYSA-N 0 3 319.474 2.268 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001266242886 1144818498 /nfs/dbraw/zinc/81/84/98/1144818498.db2.gz IXUXOCAYCZDHKK-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@]1(C)CCOC1 ZINC001279317739 1144820658 /nfs/dbraw/zinc/82/06/58/1144820658.db2.gz DLTPDKREAKDISK-LJQANCHMSA-N 0 3 314.429 2.055 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cc2c([nH]1)CCC2 ZINC001279317811 1144820736 /nfs/dbraw/zinc/82/07/36/1144820736.db2.gz FRIFOIUOOSXMRP-UHFFFAOYSA-N 0 3 321.424 2.369 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H](OC)c2ccc(F)cc2)CC1 ZINC001279696194 1144827530 /nfs/dbraw/zinc/82/75/30/1144827530.db2.gz UFHJJETWXNVQHC-QGZVFWFLSA-N 0 3 318.392 2.448 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncnc2[nH]ccc21 ZINC001316599336 1144828949 /nfs/dbraw/zinc/82/89/49/1144828949.db2.gz SMJFZMHHEHFVBF-ZDUSSCGKSA-N 0 3 313.405 2.022 20 30 DEEDHN CC(C)(C(=O)N[C@H]1CC[C@H](CNCC#N)CC1)N1CCCCC1 ZINC001280365508 1144836906 /nfs/dbraw/zinc/83/69/06/1144836906.db2.gz XXDSAEOENZPGMI-WKILWMFISA-N 0 3 320.481 2.039 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@](CO)(NC/C=C\Cl)C1 ZINC001281145887 1144873851 /nfs/dbraw/zinc/87/38/51/1144873851.db2.gz LBMDWVHNHOXLQX-IOBAAEILSA-N 0 3 314.857 2.284 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC001281167010 1144875608 /nfs/dbraw/zinc/87/56/08/1144875608.db2.gz IKPQCTJDEQSYCM-QFBILLFUSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)CN(CC)CC)C1 ZINC001281419259 1144888408 /nfs/dbraw/zinc/88/84/08/1144888408.db2.gz WJWLNTXUZDIOGW-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)c3ccoc3)CC2)C1 ZINC001281567919 1144897843 /nfs/dbraw/zinc/89/78/43/1144897843.db2.gz RGTPJUQOOSDERI-OAHLLOKOSA-N 0 3 317.433 2.076 20 30 DEEDHN Cc1nc(CN[C@@H](C)CCNC(=O)C#CC(C)C)sc1C ZINC001281713168 1144909684 /nfs/dbraw/zinc/90/96/84/1144909684.db2.gz ODYDVLIHONJECE-LBPRGKRZSA-N 0 3 307.463 2.404 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](C)O ZINC001281905762 1144919034 /nfs/dbraw/zinc/91/90/34/1144919034.db2.gz NFHPSMAQNSCUSE-KBRIMQKVSA-N 0 3 316.445 2.341 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001282167263 1145005741 /nfs/dbraw/zinc/00/57/41/1145005741.db2.gz KRJSJCLBIYWIHY-NWDGAFQWSA-N 0 3 319.453 2.267 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)CCC)[C@H]1CC ZINC001282269623 1145026922 /nfs/dbraw/zinc/02/69/22/1145026922.db2.gz XADYVUBXLOPOOW-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1c(C)cccc1F ZINC001282504826 1145081447 /nfs/dbraw/zinc/08/14/47/1145081447.db2.gz UKASZEUXOAJFLS-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCCF)CC1(C)C ZINC001282790996 1145165486 /nfs/dbraw/zinc/16/54/86/1145165486.db2.gz LBVNJDJEYVHWAK-UONOGXRCSA-N 0 3 300.418 2.154 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc(OC)cc2)C1 ZINC001282738658 1145155801 /nfs/dbraw/zinc/15/58/01/1145155801.db2.gz QSAROLDEHYPLGU-CQSZACIVSA-N 0 3 302.418 2.250 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CN(CCn2cccn2)CC1(C)C ZINC001282820592 1145171171 /nfs/dbraw/zinc/17/11/71/1145171171.db2.gz DZFPHWQKGFLTCY-HNNXBMFYSA-N 0 3 318.465 2.312 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2cccc(C)c2)C(C)(C)C1 ZINC001282833469 1145173885 /nfs/dbraw/zinc/17/38/85/1145173885.db2.gz KTHQGRCLUJSZDK-QGZVFWFLSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2cc(OC)ccn2)C1 ZINC001283025050 1145238542 /nfs/dbraw/zinc/23/85/42/1145238542.db2.gz ZBWVWRQLXLRLPY-HDJSIYSDSA-N 0 3 303.406 2.041 20 30 DEEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)C#CC(C)C ZINC001283164127 1145297710 /nfs/dbraw/zinc/29/77/10/1145297710.db2.gz IICSZLSVEFLNCX-CYBMUJFWSA-N 0 3 315.255 2.429 20 30 DEEDHN Cc1csc(CNCCC[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001283165854 1145298951 /nfs/dbraw/zinc/29/89/51/1145298951.db2.gz VSIVAOUHLQORGA-ZDUSSCGKSA-N 0 3 307.463 2.485 20 30 DEEDHN Cc1nn(C)cc1[C@@H]1CCCN1C[C@H](O)c1cccc(C#N)c1 ZINC001364660820 1145423184 /nfs/dbraw/zinc/42/31/84/1145423184.db2.gz UUOTXEXJJJLBCO-ROUUACIJSA-N 0 3 310.401 2.471 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H](CNCc2ccnn2C)C2CC2)C1 ZINC001283531768 1145502347 /nfs/dbraw/zinc/50/23/47/1145502347.db2.gz HORPABGSUFRUGY-INIZCTEOSA-N 0 3 316.449 2.103 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1 ZINC001283607364 1145542132 /nfs/dbraw/zinc/54/21/32/1145542132.db2.gz AWDWJDDOLFCEEO-CYBMUJFWSA-N 0 3 307.825 2.331 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)N[C@H](C)c2n[nH]c(C)n2)CC1 ZINC001283661942 1145567545 /nfs/dbraw/zinc/56/75/45/1145567545.db2.gz ANTFULDXQIRAIL-QWHCGFSZSA-N 0 3 319.453 2.357 20 30 DEEDHN C[C@H]1[C@H](NC(=O)c2cccc(C#N)c2Br)CCN1C ZINC001364878122 1145647801 /nfs/dbraw/zinc/64/78/01/1145647801.db2.gz CBIXPLQDYVYMBJ-JOYOIKCWSA-N 0 3 322.206 2.143 20 30 DEEDHN CCCOCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001283863090 1145674823 /nfs/dbraw/zinc/67/48/23/1145674823.db2.gz AHDSVTHPGLHOLQ-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC001283967464 1145730663 /nfs/dbraw/zinc/73/06/63/1145730663.db2.gz JNNBQUGNVCPHSO-DOTOQJQBSA-N 0 3 304.434 2.106 20 30 DEEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C#CC1CC1 ZINC001283982198 1145736128 /nfs/dbraw/zinc/73/61/28/1145736128.db2.gz LAVHHMGLXWKNHW-QFBILLFUSA-N 0 3 306.409 2.031 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001284016939 1145753635 /nfs/dbraw/zinc/75/36/35/1145753635.db2.gz LAOKTCMSUGLWJB-HOCLYGCPSA-N 0 3 301.434 2.429 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@H](NCc3ccon3)[C@@H]2C1 ZINC001284086149 1145793115 /nfs/dbraw/zinc/79/31/15/1145793115.db2.gz YESDQGOVSMZUNE-IMJJTQAJSA-N 0 3 303.406 2.358 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001284321798 1145836728 /nfs/dbraw/zinc/83/67/28/1145836728.db2.gz UWWRBPMOMKYZQN-RDTXWAMCSA-N 0 3 323.481 2.084 20 30 DEEDHN CCOC(=O)C[C@H]1CCCN1C[C@H](O)c1cccc(C#N)c1 ZINC001365297193 1145841251 /nfs/dbraw/zinc/84/12/51/1145841251.db2.gz WMIFIQAVKGQMIG-CVEARBPZSA-N 0 3 302.374 2.009 20 30 DEEDHN C#CCCN(CCNC(=O)c1ccc(C)c(Cl)c1)CCOC ZINC001284657327 1145884986 /nfs/dbraw/zinc/88/49/86/1145884986.db2.gz HPTCUFAUELDDBZ-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C#CCCN(CCNC(=O)c1ccc(Cl)cc1C)CCOC ZINC001284657911 1145885352 /nfs/dbraw/zinc/88/53/52/1145885352.db2.gz 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C#CCN1CC[C@@H](NC(=O)CCc2ccoc2)CC(C)(C)C1 ZINC001316811679 1147604844 /nfs/dbraw/zinc/60/48/44/1147604844.db2.gz SPAIWWZLXQNGCC-MRXNPFEDSA-N 0 3 302.418 2.452 20 30 DEEDHN CC#CCN(CCCNC(=O)c1c[nH]c2ncccc12)C1CC1 ZINC001316926456 1147633112 /nfs/dbraw/zinc/63/31/12/1147633112.db2.gz BHZVDXOKAPHUBU-UHFFFAOYSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001316941507 1147635920 /nfs/dbraw/zinc/63/59/20/1147635920.db2.gz RHXWVPWXTSSQPF-MJGOQNOKSA-N 0 3 316.445 2.403 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001316983421 1147643787 /nfs/dbraw/zinc/64/37/87/1147643787.db2.gz XNLFTSVJMXAZIC-BDUNBXCCSA-N 0 3 300.377 2.443 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@H]3CCCCO3)C2)CCC1 ZINC001316987353 1147644545 /nfs/dbraw/zinc/64/45/45/1147644545.db2.gz SMIPKUIQIOOQQK-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cc(Cl)ccc1OC ZINC001367094702 1147649094 /nfs/dbraw/zinc/64/90/94/1147649094.db2.gz 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C=CCN(CC)CCNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001317478620 1147713796 /nfs/dbraw/zinc/71/37/96/1147713796.db2.gz QTVSILNUJGCKRK-CQSZACIVSA-N 0 3 306.381 2.001 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)COC1CCC(C)CC1 ZINC001317547150 1147723368 /nfs/dbraw/zinc/72/33/68/1147723368.db2.gz VNAHFSKRZHJFJB-UHFFFAOYSA-N 0 3 308.466 2.433 20 30 DEEDHN Cc1ncsc1CCN(CCNC(=O)C#CC(C)C)C1CC1 ZINC001317552293 1147723882 /nfs/dbraw/zinc/72/38/82/1147723882.db2.gz GIQFXDVKRUTHJQ-UHFFFAOYSA-N 0 3 319.474 2.234 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCN(CCOCC1CCC1)C1CC1 ZINC001317553446 1147724379 /nfs/dbraw/zinc/72/43/79/1147724379.db2.gz XUULXHPFNALLSB-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)CC(F)(F)F ZINC001317571989 1147727291 /nfs/dbraw/zinc/72/72/91/1147727291.db2.gz BATJTPZIUBSIKJ-UHFFFAOYSA-N 0 3 317.286 2.198 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)CC1CCC1 ZINC001317578285 1147728318 /nfs/dbraw/zinc/72/83/18/1147728318.db2.gz JSIZOCNKQCKGBU-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(CF)CCC1 ZINC001367700724 1147729249 /nfs/dbraw/zinc/72/92/49/1147729249.db2.gz XMUHOXWTDPNASP-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001367727997 1147733936 /nfs/dbraw/zinc/73/39/36/1147733936.db2.gz KMNQKXVWYKRJDJ-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc2cccc(OC)c2o1 ZINC001317633074 1147736304 /nfs/dbraw/zinc/73/63/04/1147736304.db2.gz HDXFGJKUCJJGBL-UHFFFAOYSA-N 0 3 300.358 2.126 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc(C)n(CC2CC2)c1C ZINC001317653221 1147739433 /nfs/dbraw/zinc/73/94/33/1147739433.db2.gz GCMJZTGBHSWDEE-UHFFFAOYSA-N 0 3 301.434 2.200 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1snnc1C)c1ccccc1 ZINC001317713691 1147746406 /nfs/dbraw/zinc/74/64/06/1147746406.db2.gz GEXFEBBIIGNWDM-AWEZNQCLSA-N 0 3 316.430 2.483 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CC1(O)CCC1)c1ccccc1 ZINC001317717505 1147746832 /nfs/dbraw/zinc/74/68/32/1147746832.db2.gz FOVPOJMWAUORSA-MRXNPFEDSA-N 0 3 302.418 2.315 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1nc(C)oc1C)c1ccccc1 ZINC001317727760 1147747662 /nfs/dbraw/zinc/74/76/62/1147747662.db2.gz XKIGHNOLWSXBID-MRXNPFEDSA-N 0 3 311.385 2.375 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H]1CCN(Cc2cc(C)ncn2)C1 ZINC001317794356 1147753017 /nfs/dbraw/zinc/75/30/17/1147753017.db2.gz AGTUOMZLWSUNIH-OAHLLOKOSA-N 0 3 316.449 2.325 20 30 DEEDHN CCC(=O)N1CC[C@H](CN(C)CC#Cc2ccc(F)cc2)C1 ZINC001317824368 1147755423 /nfs/dbraw/zinc/75/54/23/1147755423.db2.gz OPZOQGJVXKRHJK-MRXNPFEDSA-N 0 3 302.393 2.368 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C1CC1 ZINC001318232966 1147802017 /nfs/dbraw/zinc/80/20/17/1147802017.db2.gz PGWCXRXCVXECCB-GJZGRUSLSA-N 0 3 314.433 2.162 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001367975501 1147811504 /nfs/dbraw/zinc/81/15/04/1147811504.db2.gz DHJPFKQROHZHGR-SMDDNHRTSA-N 0 3 301.365 2.092 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001318358552 1147814822 /nfs/dbraw/zinc/81/48/22/1147814822.db2.gz ZIEQSHPQWGNUGN-SJLPKXTDSA-N 0 3 316.445 2.492 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001324675288 1147829815 /nfs/dbraw/zinc/82/98/15/1147829815.db2.gz VRDKBRHMIDXUNH-GOSISDBHSA-N 0 3 302.418 2.449 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001325049100 1147870715 /nfs/dbraw/zinc/87/07/15/1147870715.db2.gz AHFBTHGPFWNKOO-CYBMUJFWSA-N 0 3 304.356 2.223 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccccc2C(C)C)C1 ZINC001325102079 1147875820 /nfs/dbraw/zinc/87/58/20/1147875820.db2.gz KOSGZFSLRCJKRF-SFHVURJKSA-N 0 3 302.418 2.163 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cncnc1)c1ccccc1CC ZINC001325361581 1147896207 /nfs/dbraw/zinc/89/62/07/1147896207.db2.gz IMOHSAPAHRCQMI-GOSISDBHSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H](C)SC ZINC001325690402 1147984440 /nfs/dbraw/zinc/98/44/40/1147984440.db2.gz UGLWANCFNNLZAS-OAHLLOKOSA-N 0 3 304.459 2.380 20 30 DEEDHN Cc1ncc(CN2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]3C2)s1 ZINC001325735919 1147992199 /nfs/dbraw/zinc/99/21/99/1147992199.db2.gz NIMGDDHDQWHPBT-GASCZTMLSA-N 0 3 317.458 2.001 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC(C)(C)CC(F)F)C[C@@H]2C1 ZINC001325752958 1147995441 /nfs/dbraw/zinc/99/54/41/1147995441.db2.gz GDKSPZSHXZHYGJ-OKILXGFUSA-N 0 3 312.404 2.471 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1 ZINC001325873244 1148011996 /nfs/dbraw/zinc/01/19/96/1148011996.db2.gz FMAUZGCWRPKLBD-JKSUJKDBSA-N 0 3 304.390 2.161 20 30 DEEDHN Cc1nc(CNCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)sc1C ZINC001326222879 1148059883 /nfs/dbraw/zinc/05/98/83/1148059883.db2.gz FZGGJVJEQKBZEU-BXUZGUMPSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)OCC2CC2)cc1 ZINC001326466867 1148108166 /nfs/dbraw/zinc/10/81/66/1148108166.db2.gz DPHDZQJAOOMVCQ-LSDHHAIUSA-N 0 3 314.429 2.402 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2CC(OC)C2)cc1 ZINC001326468372 1148108186 /nfs/dbraw/zinc/10/81/86/1148108186.db2.gz LJBYWABODARAMZ-RWBZWWBESA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)C(CC)CC ZINC001326686033 1148201245 /nfs/dbraw/zinc/20/12/45/1148201245.db2.gz LGOVLBBPJAMAPY-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCNC1(CNC(=O)c2snc(Cl)c2Cl)CCC1 ZINC001326831182 1148264699 /nfs/dbraw/zinc/26/46/99/1148264699.db2.gz XCUNQTVFVIHCFC-UHFFFAOYSA-N 0 3 318.229 2.325 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc(-n3cccn3)c2)CCC1 ZINC001326902895 1148285662 /nfs/dbraw/zinc/28/56/62/1148285662.db2.gz KYNXHOPFLCGJFS-UHFFFAOYSA-N 0 3 322.412 2.138 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CO)C1)C(C)C ZINC000079440469 185171676 /nfs/dbraw/zinc/17/16/76/185171676.db2.gz SGOHFMZEYJCPNO-SJORKVTESA-N 0 3 323.481 2.099 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000333880141 529473077 /nfs/dbraw/zinc/47/30/77/529473077.db2.gz RKVZBXBOBWOJMN-YLADIXGZSA-N 0 3 321.465 2.463 20 30 DEEDHN CCN(CC)C(=O)C[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000090106559 185282374 /nfs/dbraw/zinc/28/23/74/185282374.db2.gz SBZYTXHBJLNNGP-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1Cc1ccccc1 ZINC000181341941 199283434 /nfs/dbraw/zinc/28/34/34/199283434.db2.gz BYOUREXKWIGWQE-DYVFJYSZSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CCc1ccc(OC)cc1 ZINC000272815077 210214331 /nfs/dbraw/zinc/21/43/31/210214331.db2.gz DXFYMCDWSKIGTK-AWEZNQCLSA-N 0 3 311.447 2.207 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@H](CCO)C2CCCCC2)c1 ZINC000181512240 199308744 /nfs/dbraw/zinc/30/87/44/199308744.db2.gz BPOYFRQBLHHJDG-QGZVFWFLSA-N 0 3 315.417 2.418 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCN2CCC(OC)CC2)cc1 ZINC000079999706 539375814 /nfs/dbraw/zinc/37/58/14/539375814.db2.gz GASMQJVQQFLXIN-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000614675467 362434745 /nfs/dbraw/zinc/43/47/45/362434745.db2.gz XZBXGGKPPAWLCH-LSDHHAIUSA-N 0 3 310.825 2.386 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000614596531 362416861 /nfs/dbraw/zinc/41/68/61/362416861.db2.gz RFOBXFBCHJRXPY-RHSMWYFYSA-N 0 3 322.474 2.274 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)CCN1C ZINC000330887961 232138855 /nfs/dbraw/zinc/13/88/55/232138855.db2.gz AJKCYXAKPODVCK-CZUORRHYSA-N 0 3 317.458 2.390 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000151339274 539527657 /nfs/dbraw/zinc/52/76/57/539527657.db2.gz DVJGAIXMWPEIOT-MRXNPFEDSA-N 0 3 316.449 2.017 20 30 DEEDHN CC(C)CC1(NCC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000625557846 365829305 /nfs/dbraw/zinc/82/93/05/365829305.db2.gz KBBJPSQVOVHBMX-UHFFFAOYSA-N 0 3 310.397 2.454 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC000329846653 404468433 /nfs/dbraw/zinc/46/84/33/404468433.db2.gz PAWUGCSUFNPPHY-AGIUHOORSA-N 0 3 322.457 2.217 20 30 DEEDHN C[C@H]1OCC[C@@]12CN(CCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000595466689 358456042 /nfs/dbraw/zinc/45/60/42/358456042.db2.gz KGMVMLROVPROLE-IIDMSEBBSA-N 0 3 300.402 2.369 20 30 DEEDHN CC1(C)CN(CCc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000595465607 358456181 /nfs/dbraw/zinc/45/61/81/358456181.db2.gz CTQATJZGIDLZIQ-GOSISDBHSA-N 0 3 300.402 2.371 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000152393746 186068171 /nfs/dbraw/zinc/06/81/71/186068171.db2.gz XNDLDVLPFLXOPW-ZACQAIPSSA-N 0 3 321.465 2.284 20 30 DEEDHN CN(CCc1ccc(C#N)cc1)CCN1CCOC(C)(C)C1 ZINC000595469228 358456744 /nfs/dbraw/zinc/45/67/44/358456744.db2.gz VTFAYLLUNIRCMR-UHFFFAOYSA-N 0 3 301.434 2.143 20 30 DEEDHN CCN1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000159681844 186135023 /nfs/dbraw/zinc/13/50/23/186135023.db2.gz QBZVWMPGMZAQLU-CQSZACIVSA-N 0 3 300.406 2.356 20 30 DEEDHN C[C@@](CO)(NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000266858350 186361931 /nfs/dbraw/zinc/36/19/31/186361931.db2.gz IMNBUUHWFUMPSR-SFHVURJKSA-N 0 3 315.417 2.418 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626045663 366021963 /nfs/dbraw/zinc/02/19/63/366021963.db2.gz WDNGRNUACLGVDK-SOUVJXGZSA-N 0 3 322.474 2.354 20 30 DEEDHN CN(C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000328876120 539911947 /nfs/dbraw/zinc/91/19/47/539911947.db2.gz GELTXPGVPOBGHQ-MELADBBJSA-N 0 3 316.467 2.031 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC(OCC2CC2)CC1 ZINC000329633055 539925323 /nfs/dbraw/zinc/92/53/23/539925323.db2.gz WNMLYQPAJBNQHA-CYBMUJFWSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC(OCC2CC2)CC1 ZINC000329633055 539925326 /nfs/dbraw/zinc/92/53/26/539925326.db2.gz WNMLYQPAJBNQHA-CYBMUJFWSA-N 0 3 318.421 2.072 20 30 DEEDHN C[C@@H](CN1CCN(c2ccccc2)CC1)NCc1ccc(C#N)o1 ZINC000174438502 198334853 /nfs/dbraw/zinc/33/48/53/198334853.db2.gz BHQZQVIBMAJKFQ-INIZCTEOSA-N 0 3 324.428 2.452 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 ZINC000174666878 198367256 /nfs/dbraw/zinc/36/72/56/198367256.db2.gz XDCCHLGQTRXXBF-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2cccc(F)c2C#N)CC1 ZINC000060380192 354612238 /nfs/dbraw/zinc/61/22/38/354612238.db2.gz VTPJLWDNFQRYGP-CQSZACIVSA-N 0 3 304.413 2.383 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccccc2OCC)CC1 ZINC000066921696 354739494 /nfs/dbraw/zinc/73/94/94/354739494.db2.gz AZUKIRMONZFHKH-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCOc2ccc(F)cc2)CC1 ZINC000069019925 354844528 /nfs/dbraw/zinc/84/45/28/354844528.db2.gz UEGLYSNWDKAFFL-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C=C(C)COc1cc(CNC[C@](C)(O)COC)ccc1OC ZINC000069912661 354880548 /nfs/dbraw/zinc/88/05/48/354880548.db2.gz FLTZFOBNFLPGIN-KRWDZBQOSA-N 0 3 309.406 2.137 20 30 DEEDHN CCCCN(C)CCNC(=O)NCc1cc(C#N)ccc1F ZINC000074201669 355014202 /nfs/dbraw/zinc/01/42/02/355014202.db2.gz QIVHDWPXJPQFIG-UHFFFAOYSA-N 0 3 306.385 2.228 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(=O)N(C)C)cc2)nc(C)n1 ZINC000077559178 355213281 /nfs/dbraw/zinc/21/32/81/355213281.db2.gz CJQPMMBHBXTRBA-HNNXBMFYSA-N 0 3 322.368 2.285 20 30 DEEDHN C=CCN1CCC(Nc2ccc(-n3nc(C)cc3C)nn2)CC1 ZINC000077965116 355237234 /nfs/dbraw/zinc/23/72/34/355237234.db2.gz SNKKVIHNXAXKDD-UHFFFAOYSA-N 0 3 312.421 2.341 20 30 DEEDHN CCN1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000079538345 355315583 /nfs/dbraw/zinc/31/55/83/355315583.db2.gz LVUCNRYQZUCHLL-UHFFFAOYSA-N 0 3 303.431 2.470 20 30 DEEDHN C[C@H](CN1CCN(C)CC1)Nc1ccc2cc(C#N)ccc2n1 ZINC000092896247 355655697 /nfs/dbraw/zinc/65/56/97/355655697.db2.gz AVKNDGHGXBIMFK-CQSZACIVSA-N 0 3 309.417 2.154 20 30 DEEDHN N#Cc1cccc(OCCN(CCO)CCc2ccccc2)c1 ZINC000112698753 355755951 /nfs/dbraw/zinc/75/59/51/355755951.db2.gz LTRBAAZEYQLIDB-UHFFFAOYSA-N 0 3 310.397 2.474 20 30 DEEDHN C#CCOCCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000120307738 355790690 /nfs/dbraw/zinc/79/06/90/355790690.db2.gz KSBZLJREAYOKHE-UHFFFAOYSA-N 0 3 314.429 2.116 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000127221409 355820701 /nfs/dbraw/zinc/82/07/01/355820701.db2.gz QNZPDZONYYMCGO-SMDDNHRTSA-N 0 3 316.380 2.122 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000127600241 355823943 /nfs/dbraw/zinc/82/39/43/355823943.db2.gz LJVGMHRPBKZDJP-CQSZACIVSA-N 0 3 318.417 2.332 20 30 DEEDHN COC(=O)[C@H](C)CN(CCOc1ccccc1C#N)C1CC1 ZINC000171298011 355999708 /nfs/dbraw/zinc/99/97/08/355999708.db2.gz LHMMKJITNJUFBC-CYBMUJFWSA-N 0 3 302.374 2.211 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CC=CC1 ZINC000154925812 355945048 /nfs/dbraw/zinc/94/50/48/355945048.db2.gz LPZOGLNMYNGSNU-UHFFFAOYSA-N 0 3 312.417 2.350 20 30 DEEDHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CCS1 ZINC000157522684 355955541 /nfs/dbraw/zinc/95/55/41/355955541.db2.gz BXXPICBBERQFEQ-LSDHHAIUSA-N 0 3 306.431 2.125 20 30 DEEDHN N#Cc1ccc(C(F)(F)F)c(N2CCCN(CCO)CC2)c1 ZINC000185359090 283135179 /nfs/dbraw/zinc/13/51/79/283135179.db2.gz GFWNGKDZOWFCTJ-UHFFFAOYSA-N 0 3 313.323 2.081 20 30 DEEDHN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1ccccn1 ZINC000183482155 356172981 /nfs/dbraw/zinc/17/29/81/356172981.db2.gz UVLQCVGCLCYBJD-UONOGXRCSA-N 0 3 309.325 2.134 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000182823618 356147758 /nfs/dbraw/zinc/14/77/58/356147758.db2.gz DCRGQIPYIHSRRB-RDJZCZTQSA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000182852727 356149391 /nfs/dbraw/zinc/14/93/91/356149391.db2.gz CENLNDRQPJQRHV-JKSUJKDBSA-N 0 3 314.433 2.452 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CO)[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000356383061 283146585 /nfs/dbraw/zinc/14/65/85/283146585.db2.gz BQFTTYYBNFPMCO-UONOGXRCSA-N 0 3 314.307 2.207 20 30 DEEDHN CCC(C)(C)OCCNC[C@H](O)COc1ccc(C#N)cc1 ZINC000308697406 356410449 /nfs/dbraw/zinc/41/04/49/356410449.db2.gz SHUHPUOTQOHKOQ-HNNXBMFYSA-N 0 3 306.406 2.093 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)CCS3(=O)=O)C1 ZINC000618572061 363531332 /nfs/dbraw/zinc/53/13/32/363531332.db2.gz PAWHKMKYQIQCJU-IUODEOHRSA-N 0 3 304.415 2.188 20 30 DEEDHN CN(C)C[C@@H]1CN(C(=O)CC(C)(C)C#N)c2ccccc2O1 ZINC000364977793 356666148 /nfs/dbraw/zinc/66/61/48/356666148.db2.gz CHYAQAUEPCVBRX-CYBMUJFWSA-N 0 3 301.390 2.282 20 30 DEEDHN C=CCN(CCOc1ccc(C#N)cc1OC)[C@H](C)COC ZINC000595647858 358512220 /nfs/dbraw/zinc/51/22/20/358512220.db2.gz QVROITHBILUTBH-CQSZACIVSA-N 0 3 304.390 2.469 20 30 DEEDHN CN1C[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CCC1=O ZINC000328788551 283224868 /nfs/dbraw/zinc/22/48/68/283224868.db2.gz PJUPIIFHABANBJ-HIFRSBDPSA-N 0 3 307.438 2.361 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000585718468 357348924 /nfs/dbraw/zinc/34/89/24/357348924.db2.gz HRJLAEHKTKTARK-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN COc1ncc([C@@H](C)NC2CCN(CC#N)CC2)cc1Cl ZINC000585764777 357352321 /nfs/dbraw/zinc/35/23/21/357352321.db2.gz GJZUCKODPYJVMW-LLVKDONJSA-N 0 3 308.813 2.382 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@](F)(C#N)C1)[C@@H](c1ccccc1)N(C)C ZINC000588721169 357419750 /nfs/dbraw/zinc/41/97/50/357419750.db2.gz RSOBUFARNFTJPU-QRTARXTBSA-N 0 3 318.396 2.325 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589307497 357462496 /nfs/dbraw/zinc/46/24/96/357462496.db2.gz BGBKEGCGJHLLIU-AWEZNQCLSA-N 0 3 323.462 2.151 20 30 DEEDHN CC(C)(O)CN(Cc1cccc(F)c1C#N)C1CCOCC1 ZINC000589984624 357509889 /nfs/dbraw/zinc/50/98/89/357509889.db2.gz XTYQMMOXBBPLFQ-UHFFFAOYSA-N 0 3 306.381 2.449 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C#N)n1 ZINC000589458275 357471499 /nfs/dbraw/zinc/47/14/99/357471499.db2.gz ODGVEEZYEIXFFW-RDTXWAMCSA-N 0 3 320.396 2.204 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000590939975 357647328 /nfs/dbraw/zinc/64/73/28/357647328.db2.gz SQCBOHIMCQWOLD-OAHLLOKOSA-N 0 3 300.406 2.185 20 30 DEEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)N(C)C ZINC000591183212 357687092 /nfs/dbraw/zinc/68/70/92/357687092.db2.gz OGPDCOXVCANYLE-CHWSQXEVSA-N 0 3 324.222 2.470 20 30 DEEDHN CC(C)(CCC#N)CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310761 357705094 /nfs/dbraw/zinc/70/50/94/357705094.db2.gz IUBCFEBXNXRXCT-UHFFFAOYSA-N 0 3 301.394 2.179 20 30 DEEDHN COC(=O)c1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000591595024 357740216 /nfs/dbraw/zinc/74/02/16/357740216.db2.gz VXLWQQBPIPAHNH-LBPRGKRZSA-N 0 3 309.753 2.086 20 30 DEEDHN CCCN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCN(C)C1 ZINC000591912130 357793145 /nfs/dbraw/zinc/79/31/45/357793145.db2.gz YBIRFHNGCKJGCW-INIZCTEOSA-N 0 3 300.406 2.184 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCOC2(C)C)CC1 ZINC000660597571 540310114 /nfs/dbraw/zinc/31/01/14/540310114.db2.gz RCRXGOFEMLHZAT-AWEZNQCLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCOc1ccccc1 ZINC000662080991 540326195 /nfs/dbraw/zinc/32/61/95/540326195.db2.gz SSWXDQUJWUPNDM-IYBDPMFKSA-N 0 3 300.402 2.365 20 30 DEEDHN C=C(C)CN1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000593044732 357994854 /nfs/dbraw/zinc/99/48/54/357994854.db2.gz AYFVATWGKJJWGP-AWEZNQCLSA-N 0 3 322.449 2.217 20 30 DEEDHN CC[C@H](C#N)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000593571296 358104746 /nfs/dbraw/zinc/10/47/46/358104746.db2.gz CYISVDFPTBWALU-PBHICJAKSA-N 0 3 315.417 2.498 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1nc2ccccc2n1C ZINC000594439069 358270304 /nfs/dbraw/zinc/27/03/04/358270304.db2.gz NHWPKHNZJSIZBW-STQMWFEESA-N 0 3 313.405 2.162 20 30 DEEDHN CS(=O)(=O)C1(CNCc2cccc(C#N)c2)CCCCC1 ZINC000594974620 358372007 /nfs/dbraw/zinc/37/20/07/358372007.db2.gz BUUJXWFUOIERMP-UHFFFAOYSA-N 0 3 306.431 2.395 20 30 DEEDHN C=CCCSCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000595237169 358404117 /nfs/dbraw/zinc/40/41/17/358404117.db2.gz YUDSFZBUZBPYSH-UHFFFAOYSA-N 0 3 306.435 2.158 20 30 DEEDHN COC(=O)C[C@H]1CSCCN1CCc1ccc(C#N)cc1 ZINC000595347988 358426773 /nfs/dbraw/zinc/42/67/73/358426773.db2.gz XOUZXTBUKSZKSM-HNNXBMFYSA-N 0 3 304.415 2.081 20 30 DEEDHN C=CCN(CC(=O)N1CCCC[C@@H]1C(=O)OCC)C(C)(C)C ZINC000595762791 358543491 /nfs/dbraw/zinc/54/34/91/358543491.db2.gz GFAJEJVPPWDXHM-CQSZACIVSA-N 0 3 310.438 2.217 20 30 DEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@]1(C)CO ZINC000595871049 358568327 /nfs/dbraw/zinc/56/83/27/358568327.db2.gz HOAZJRDMHFELAC-KUHUBIRLSA-N 0 3 324.428 2.409 20 30 DEEDHN CN(CC1=CCSC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595890152 358573446 /nfs/dbraw/zinc/57/34/46/358573446.db2.gz YNUMWMWMBBUKSU-MRXNPFEDSA-N 0 3 318.442 2.097 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1nccn1-c1ccccc1 ZINC000595991746 358590660 /nfs/dbraw/zinc/59/06/60/358590660.db2.gz HHOUOCVJMAICJM-DZGCQCFKSA-N 0 3 311.389 2.071 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)NCCc1ccc(C#N)cc1 ZINC000596478676 358695614 /nfs/dbraw/zinc/69/56/14/358695614.db2.gz IOJMBWOKDKQYCY-QGZVFWFLSA-N 0 3 314.433 2.274 20 30 DEEDHN C=CCCSCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000596717284 358745831 /nfs/dbraw/zinc/74/58/31/358745831.db2.gz LGGYFUVNDCVDPV-GJZGRUSLSA-N 0 3 311.495 2.421 20 30 DEEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2OC)C1 ZINC000596838655 358771849 /nfs/dbraw/zinc/77/18/49/358771849.db2.gz LNZRGJFCAYEVTN-ZDUSSCGKSA-N 0 3 302.378 2.173 20 30 DEEDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1c(F)cccc1C#N ZINC000597604149 358960702 /nfs/dbraw/zinc/96/07/02/358960702.db2.gz GSWXOMRBQQGBJO-CQSZACIVSA-N 0 3 303.381 2.183 20 30 DEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000597920971 359041075 /nfs/dbraw/zinc/04/10/75/359041075.db2.gz DHBOVZJMEKTRHU-NSHDSACASA-N 0 3 307.344 2.439 20 30 DEEDHN N#CCCCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598063939 359083583 /nfs/dbraw/zinc/08/35/83/359083583.db2.gz KMPISPGGCFCGRN-UHFFFAOYSA-N 0 3 300.406 2.104 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCc2cc(NC(=O)[C@H](C)C#N)ccc21 ZINC000598323429 359161723 /nfs/dbraw/zinc/16/17/23/359161723.db2.gz RKAINPMVVGRHHR-JRPNMDOOSA-N 0 3 310.357 2.048 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CCN1 ZINC000598574524 359247226 /nfs/dbraw/zinc/24/72/26/359247226.db2.gz RIPJCXFDOMITJA-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598587552 359251571 /nfs/dbraw/zinc/25/15/71/359251571.db2.gz BTEOYVXKJLYZNZ-SJLPKXTDSA-N 0 3 315.461 2.493 20 30 DEEDHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598587399 359251998 /nfs/dbraw/zinc/25/19/98/359251998.db2.gz AAQUKDNEXZQFFC-GJZGRUSLSA-N 0 3 304.438 2.475 20 30 DEEDHN CCCNC(=O)C1(NC[C@@H](O)CC(C)(C)C#N)CCCCC1 ZINC000598599343 359256103 /nfs/dbraw/zinc/25/61/03/359256103.db2.gz ZZOKGLWNAHPFOY-AWEZNQCLSA-N 0 3 309.454 2.106 20 30 DEEDHN C[C@@H]1C[C@@H](NC[C@H](O)CC(C)(C)C#N)C(=O)N1c1ccccc1 ZINC000598721559 359305224 /nfs/dbraw/zinc/30/52/24/359305224.db2.gz VJXFHVDAUIEXMP-FVQBIDKESA-N 0 3 315.417 2.071 20 30 DEEDHN Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)c(N2CCCC2)n1 ZINC000598723853 359306557 /nfs/dbraw/zinc/30/65/57/359306557.db2.gz LELZGSFGFIBXLB-MRXNPFEDSA-N 0 3 316.449 2.381 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC(Cc2ccccc2)C1 ZINC000599339044 359468321 /nfs/dbraw/zinc/46/83/21/359468321.db2.gz ZUKQSSFHFFNBJL-IBGZPJMESA-N 0 3 322.408 2.472 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000188097400 200193217 /nfs/dbraw/zinc/19/32/17/200193217.db2.gz PMEYCBNRIDSWIO-LSDHHAIUSA-N 0 3 313.401 2.399 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CC2CCN(OCC)CC2)CC1 ZINC000668369730 540655477 /nfs/dbraw/zinc/65/54/77/540655477.db2.gz CTOHOMHIBNATKT-UHFFFAOYSA-N 0 3 323.481 2.197 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccccc1CC#N ZINC000601415485 360034502 /nfs/dbraw/zinc/03/45/02/360034502.db2.gz FOLPGTGRKRTMAE-AWEZNQCLSA-N 0 3 323.462 2.151 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000189404194 200395300 /nfs/dbraw/zinc/39/53/00/200395300.db2.gz SLVLNAASUWEPDU-UHFFFAOYSA-N 0 3 323.387 2.457 20 30 DEEDHN CSC[C@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602334459 360342514 /nfs/dbraw/zinc/34/25/14/360342514.db2.gz QRSKAYLZHSRLNK-WBVHZDCISA-N 0 3 317.458 2.270 20 30 DEEDHN CC[C@@H](C)[C@@H](CN1CCN(c2cc(C#N)ccn2)CC1)OC ZINC000602434464 360371247 /nfs/dbraw/zinc/37/12/47/360371247.db2.gz FAWMWCIJGMODIO-GDBMZVCRSA-N 0 3 302.422 2.136 20 30 DEEDHN CCc1cc(N2CCC[C@H](NCc3cccc(C#N)n3)C2)ncn1 ZINC000602536347 360422272 /nfs/dbraw/zinc/42/22/72/360422272.db2.gz CBLUBCZHEWASTO-KRWDZBQOSA-N 0 3 322.416 2.064 20 30 DEEDHN N#CC1(CC(=O)N2CCCc3cccc(CN)c32)CCOCC1 ZINC000602540333 360424225 /nfs/dbraw/zinc/42/42/25/360424225.db2.gz LPVQOSUCLFQGQH-UHFFFAOYSA-N 0 3 313.401 2.135 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2n1CCC2)C(C)C ZINC000668682698 540709303 /nfs/dbraw/zinc/70/93/03/540709303.db2.gz MOSIJMSLOPVXIU-HNNXBMFYSA-N 0 3 316.449 2.258 20 30 DEEDHN N#Cc1ccccc1OCCN1CCC[C@H](n2ccnn2)CC1 ZINC000602890135 360613040 /nfs/dbraw/zinc/61/30/40/360613040.db2.gz WJJYQDPRVTZHIQ-INIZCTEOSA-N 0 3 311.389 2.256 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2cc(F)cc(C#N)c2)CCSC1 ZINC000603075651 360690655 /nfs/dbraw/zinc/69/06/55/360690655.db2.gz YFZQPXVGBGUPOS-OAHLLOKOSA-N 0 3 322.409 2.256 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000603079153 360691574 /nfs/dbraw/zinc/69/15/74/360691574.db2.gz RATCGQQUGVDJDV-AWEZNQCLSA-N 0 3 302.353 2.303 20 30 DEEDHN CCOC(=O)[C@]1(COC)CCCN(Cc2cccc(C#N)c2)C1 ZINC000281273820 216203669 /nfs/dbraw/zinc/20/36/69/216203669.db2.gz NZSAWKQSOAVPPE-GOSISDBHSA-N 0 3 316.401 2.350 20 30 DEEDHN C=CCNC(=O)CN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271989866 209363144 /nfs/dbraw/zinc/36/31/44/209363144.db2.gz IOAFLSGMAFDTRW-GFCCVEGCSA-N 0 3 323.418 2.357 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(C)n[nH]1)C(C)C ZINC000606641517 361028008 /nfs/dbraw/zinc/02/80/08/361028008.db2.gz FZCINULBZGYOOZ-MRXNPFEDSA-N 0 3 319.453 2.216 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(C)[nH]n1)C(C)C ZINC000606641517 361028011 /nfs/dbraw/zinc/02/80/11/361028011.db2.gz FZCINULBZGYOOZ-MRXNPFEDSA-N 0 3 319.453 2.216 20 30 DEEDHN N#CC(C(=O)c1ccoc1CC(N)=O)c1ccc2ccccc2n1 ZINC000671746213 541006874 /nfs/dbraw/zinc/00/68/74/541006874.db2.gz WUEPHNZZFSPLLG-ZDUSSCGKSA-N 0 3 319.320 2.346 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000609620692 361328477 /nfs/dbraw/zinc/32/84/77/361328477.db2.gz WAFMYFLHJSNVPB-LBPRGKRZSA-N 0 3 311.385 2.229 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000609919743 361350044 /nfs/dbraw/zinc/35/00/44/361350044.db2.gz IJYGTEIURNNOAM-UKRRQHHQSA-N 0 3 313.401 2.250 20 30 DEEDHN COC1CCN(C2(CNC(=O)C3(C#N)CCC3)CCCC2)CC1 ZINC000609857391 361344194 /nfs/dbraw/zinc/34/41/94/361344194.db2.gz HRNAJUWGYOAULR-UHFFFAOYSA-N 0 3 319.449 2.220 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000609833225 361342133 /nfs/dbraw/zinc/34/21/33/361342133.db2.gz CCDMRMDGSPGRMC-ZBFHGGJFSA-N 0 3 315.417 2.316 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610405531 361395093 /nfs/dbraw/zinc/39/50/93/361395093.db2.gz WDGZKSFWIWWWFE-CZUORRHYSA-N 0 3 300.406 2.403 20 30 DEEDHN C=CCOCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000673010879 541082059 /nfs/dbraw/zinc/08/20/59/541082059.db2.gz DAKRDIBPALJDQC-NVXWUHKLSA-N 0 3 319.449 2.488 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1cccc(C#N)c1 ZINC000611523478 361621890 /nfs/dbraw/zinc/62/18/90/361621890.db2.gz MKHDOWGTXYGOBV-LXZKKBNFSA-N 0 3 312.417 2.355 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nn(C)c3c2CCCC3)CC1 ZINC000449843376 241152964 /nfs/dbraw/zinc/15/29/64/241152964.db2.gz HTOCWCDEYXJCFM-UHFFFAOYSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000451609700 243199583 /nfs/dbraw/zinc/19/95/83/243199583.db2.gz QLHMUAVTAQPJNZ-CVEARBPZSA-N 0 3 309.431 2.302 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000451675194 243289728 /nfs/dbraw/zinc/28/97/28/243289728.db2.gz OZVWAZHPIFOKIL-YJNKXOJESA-N 0 3 306.406 2.416 20 30 DEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000678745852 541761277 /nfs/dbraw/zinc/76/12/77/541761277.db2.gz NWUYIDXFZRTEMQ-UKRRQHHQSA-N 0 3 309.406 2.308 20 30 DEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000678785496 541765265 /nfs/dbraw/zinc/76/52/65/541765265.db2.gz GHEVCRBNJBVOKT-UGFHNGPFSA-N 0 3 304.390 2.384 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275054182 212095492 /nfs/dbraw/zinc/09/54/92/212095492.db2.gz MSHBMHUKQHGQDH-LBPRGKRZSA-N 0 3 311.813 2.300 20 30 DEEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453365321 245089512 /nfs/dbraw/zinc/08/95/12/245089512.db2.gz RMRNUUKLPAEFLZ-WCQYABFASA-N 0 3 315.410 2.207 20 30 DEEDHN C=C(C)Cn1c(C)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453451434 245148688 /nfs/dbraw/zinc/14/86/88/245148688.db2.gz JRTFKODFWCAMSH-OFQRWUPVSA-N 0 3 303.454 2.329 20 30 DEEDHN N#Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264632216 204041596 /nfs/dbraw/zinc/04/15/96/204041596.db2.gz UINLEXOAXRFAML-QGZVFWFLSA-N 0 3 312.417 2.328 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](N2CCCCC2)C1 ZINC000264642330 204048894 /nfs/dbraw/zinc/04/88/94/204048894.db2.gz VUGRSTLNURXJDJ-IAGOWNOFSA-N 0 3 305.466 2.136 20 30 DEEDHN C=CC(C)(C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000453884650 245340829 /nfs/dbraw/zinc/34/08/29/245340829.db2.gz XKDBTPFXQJPVDK-UHFFFAOYSA-N 0 3 317.433 2.324 20 30 DEEDHN C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)N(C)C ZINC000264739835 204118455 /nfs/dbraw/zinc/11/84/55/204118455.db2.gz KJJWELLCERPFGG-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN CN(CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000264814271 204176658 /nfs/dbraw/zinc/17/66/58/204176658.db2.gz GSLAPDLTKHRWHT-UHFFFAOYSA-N 0 3 312.417 2.326 20 30 DEEDHN C#CCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000265056673 204369214 /nfs/dbraw/zinc/36/92/14/204369214.db2.gz VPDYIEBKKCRSQF-UHFFFAOYSA-N 0 3 317.458 2.423 20 30 DEEDHN CC[C@@H]1CN(c2c(C#N)cnc3ccccc32)CCN1C[C@H](C)O ZINC000266419681 205333568 /nfs/dbraw/zinc/33/35/68/205333568.db2.gz RVCWGMIACPXPGR-GOEBONIOSA-N 0 3 324.428 2.388 20 30 DEEDHN C=CC[C@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000266484987 205380415 /nfs/dbraw/zinc/38/04/15/205380415.db2.gz IGGUZNJLIBDQLS-AWEZNQCLSA-N 0 3 301.434 2.349 20 30 DEEDHN C[C@@H]1C[C@H](N(C)C(=O)NCCc2cccc(C#N)c2)CCN1C ZINC000342253542 404470115 /nfs/dbraw/zinc/47/01/15/404470115.db2.gz VEICXWHEPAJNRJ-RHSMWYFYSA-N 0 3 314.433 2.225 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189894068 296225863 /nfs/dbraw/zinc/22/58/63/296225863.db2.gz IOWSFXMTYQHHPY-CABCVRRESA-N 0 3 301.434 2.396 20 30 DEEDHN C=CCC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)OCC ZINC000456635317 247327183 /nfs/dbraw/zinc/32/71/83/247327183.db2.gz XCNGNIKGSGCJGH-LSDHHAIUSA-N 0 3 310.438 2.265 20 30 DEEDHN Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)ccc1OCCN(C)C ZINC000458207886 248204656 /nfs/dbraw/zinc/20/46/56/248204656.db2.gz IWHZILKANBTREV-DYVFJYSZSA-N 0 3 301.390 2.424 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](CO)C2CCCCC2)CC1 ZINC000458331788 248266085 /nfs/dbraw/zinc/26/60/85/248266085.db2.gz INXRQVMAYZGQJC-MRXNPFEDSA-N 0 3 323.481 2.125 20 30 DEEDHN Cc1cc(CN2CCN(CC3CCOCC3)CC2)ccc1C#N ZINC000488442621 248798314 /nfs/dbraw/zinc/79/83/14/248798314.db2.gz UINPQHCNQOCPGB-UHFFFAOYSA-N 0 3 313.445 2.411 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](OC)c1cccc(OC)c1 ZINC001354371117 1151890409 /nfs/dbraw/zinc/89/04/09/1151890409.db2.gz XYKZUSOYJLSBGY-HOTGVXAUSA-N 0 3 306.406 2.183 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](OC)c1cccc(OC)c1 ZINC001354371119 1151890385 /nfs/dbraw/zinc/89/03/85/1151890385.db2.gz XYKZUSOYJLSBGY-JKSUJKDBSA-N 0 3 306.406 2.183 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000106038091 194181347 /nfs/dbraw/zinc/18/13/47/194181347.db2.gz LNNPKPAUASOFJL-UHFFFAOYSA-N 0 3 303.362 2.365 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000106035436 194181696 /nfs/dbraw/zinc/18/16/96/194181696.db2.gz JASRCIJRBCWULW-GOSISDBHSA-N 0 3 315.461 2.446 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000106252901 194192796 /nfs/dbraw/zinc/19/27/96/194192796.db2.gz PZXYRHKSEVWEQV-UHFFFAOYSA-N 0 3 315.417 2.090 20 30 DEEDHN CCN1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000110815678 194360601 /nfs/dbraw/zinc/36/06/01/194360601.db2.gz QQRHGNYOFDAJCR-RMKNXTFCSA-N 0 3 313.401 2.156 20 30 DEEDHN CSC[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000066761791 184429307 /nfs/dbraw/zinc/42/93/07/184429307.db2.gz JGWYNMSRTWBUAZ-CQSZACIVSA-N 0 3 319.474 2.448 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000555662580 291801621 /nfs/dbraw/zinc/80/16/21/291801621.db2.gz OQNKBZLAANRFNR-GFCCVEGCSA-N 0 3 313.382 2.021 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269739896 207818109 /nfs/dbraw/zinc/81/81/09/207818109.db2.gz WVBPPFMRCPQRAY-UHFFFAOYSA-N 0 3 324.428 2.497 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](C)C2CCOCC2)c1C#N ZINC000539359661 285074371 /nfs/dbraw/zinc/07/43/71/285074371.db2.gz YEMGZEHSKWBIAP-LBPRGKRZSA-N 0 3 302.374 2.250 20 30 DEEDHN C=C[C@H](CC(=O)NCCCN1CCN(C)CC1)c1ccccc1 ZINC000270255524 208320056 /nfs/dbraw/zinc/32/00/56/208320056.db2.gz VUZNVCLRJKJOCJ-QGZVFWFLSA-N 0 3 315.461 2.100 20 30 DEEDHN CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccncc1 ZINC000558388363 291886998 /nfs/dbraw/zinc/88/69/98/291886998.db2.gz BJWDFJQXLBFYRK-WMZOPIPTSA-N 0 3 311.385 2.434 20 30 DEEDHN COc1ccc([C@@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)cc1 ZINC000249855869 533144760 /nfs/dbraw/zinc/14/47/60/533144760.db2.gz DCNOZFZOIWDXQJ-GOEBONIOSA-N 0 3 315.417 2.245 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 ZINC000156128428 197088846 /nfs/dbraw/zinc/08/88/46/197088846.db2.gz DGFSQZPWKZDKHW-OAHLLOKOSA-N 0 3 314.429 2.175 20 30 DEEDHN C[C@@H](C#N)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410881741 533156987 /nfs/dbraw/zinc/15/69/87/533156987.db2.gz DXFAYZHIQCKGMU-HBNTYKKESA-N 0 3 305.344 2.266 20 30 DEEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000155284490 197039594 /nfs/dbraw/zinc/03/95/94/197039594.db2.gz HGDCGIUZABCNDC-ZDUSSCGKSA-N 0 3 300.406 2.273 20 30 DEEDHN C=C(C)CN(CC)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000155147796 197026332 /nfs/dbraw/zinc/02/63/32/197026332.db2.gz ISDZDFWSMBUUJR-CQSZACIVSA-N 0 3 303.406 2.299 20 30 DEEDHN C=C(C)CN(CC)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000155147702 197026231 /nfs/dbraw/zinc/02/62/31/197026231.db2.gz ISDZDFWSMBUUJR-AWEZNQCLSA-N 0 3 303.406 2.299 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)CC1 ZINC000120388404 195157052 /nfs/dbraw/zinc/15/70/52/195157052.db2.gz VMTCNUBDFOPJIC-WMLDXEAASA-N 0 3 312.413 2.013 20 30 DEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000560271350 291925851 /nfs/dbraw/zinc/92/58/51/291925851.db2.gz XFSLKKBHIHFBQC-FGDXXIHYSA-N 0 3 301.365 2.405 20 30 DEEDHN COCCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000299393575 533222798 /nfs/dbraw/zinc/22/27/98/533222798.db2.gz UDBOBXMIDOABPY-UHFFFAOYSA-N 0 3 317.433 2.265 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1N(C)C ZINC000289886082 221291885 /nfs/dbraw/zinc/29/18/85/221291885.db2.gz SGOFOCXPMNRILR-UONOGXRCSA-N 0 3 322.409 2.207 20 30 DEEDHN CC[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289995019 221367290 /nfs/dbraw/zinc/36/72/90/221367290.db2.gz RJYHJWOVTXTCGO-LSDHHAIUSA-N 0 3 321.446 2.285 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3c2cccc3OC)CC1 ZINC000121981269 195386039 /nfs/dbraw/zinc/38/60/39/195386039.db2.gz ZVRNOQHNMXNTBP-QGZVFWFLSA-N 0 3 312.413 2.144 20 30 DEEDHN C=CCCOCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000122034987 195393112 /nfs/dbraw/zinc/39/31/12/195393112.db2.gz VVOMIQHIKVPJBQ-UHFFFAOYSA-N 0 3 305.422 2.140 20 30 DEEDHN C=CCN1CC[C@@H](NC2(c3ccccc3)CCOCC2)C1=O ZINC000685002775 542698792 /nfs/dbraw/zinc/69/87/92/542698792.db2.gz LRRIAIQAFMDXSK-MRXNPFEDSA-N 0 3 300.402 2.069 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000238034982 132561279 /nfs/dbraw/zinc/56/12/79/132561279.db2.gz KFAGTYDDGGCVHR-AWEZNQCLSA-N 0 3 318.323 2.366 20 30 DEEDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000351489068 132907707 /nfs/dbraw/zinc/90/77/07/132907707.db2.gz BUVYKYFZACSSCZ-GDBMZVCRSA-N 0 3 321.808 2.291 20 30 DEEDHN CC(C)N1C[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H](C)C1 ZINC000353774307 133000685 /nfs/dbraw/zinc/00/06/85/133000685.db2.gz HEDNBVXHDSNUSC-LRDDRELGSA-N 0 3 303.381 2.085 20 30 DEEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 ZINC000355345810 133019754 /nfs/dbraw/zinc/01/97/54/133019754.db2.gz KPVVDWOPWKXUOR-JLJPHGGASA-N 0 3 313.401 2.068 20 30 DEEDHN CSC1(CNC(=O)c2ccc(C#N)s2)CCN(C)CC1 ZINC000355471774 133028819 /nfs/dbraw/zinc/02/88/19/133028819.db2.gz RERYELSFGWBFDG-UHFFFAOYSA-N 0 3 309.460 2.177 20 30 DEEDHN CCCCN(C)CCNC(=O)NCCc1cccc(C#N)c1 ZINC000359687763 133138778 /nfs/dbraw/zinc/13/87/78/133138778.db2.gz MPSNHQYNMVCQCX-UHFFFAOYSA-N 0 3 302.422 2.132 20 30 DEEDHN Cn1cc(CN[C@H]2CCc3nc(C(C)(C)C)cn3C2)cc1C#N ZINC000359768091 133143473 /nfs/dbraw/zinc/14/34/73/133143473.db2.gz QGOMKUYABWTTHD-AWEZNQCLSA-N 0 3 311.433 2.495 20 30 DEEDHN CC(C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(F)(F)F ZINC000362324696 133224148 /nfs/dbraw/zinc/22/41/48/133224148.db2.gz MGPLJSCXEMZGRI-QMMMGPOBSA-N 0 3 309.251 2.276 20 30 DEEDHN N#Cc1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000368533082 133277231 /nfs/dbraw/zinc/27/72/31/133277231.db2.gz XGMCWYRFSJOOKL-CVEARBPZSA-N 0 3 305.809 2.247 20 30 DEEDHN N#Cc1cc(Cl)ccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000376337134 133291237 /nfs/dbraw/zinc/29/12/37/133291237.db2.gz XCVLYKDGQXGJIZ-IAGOWNOFSA-N 0 3 319.836 2.243 20 30 DEEDHN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cccc(C#N)c1 ZINC000376520474 133298912 /nfs/dbraw/zinc/29/89/12/133298912.db2.gz KVJHFMYXRVVOPL-GUYCJALGSA-N 0 3 310.401 2.475 20 30 DEEDHN CC[C@H](C)C[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000562996600 292022820 /nfs/dbraw/zinc/02/28/20/292022820.db2.gz RCNULTHZGNTOKC-STQMWFEESA-N 0 3 309.435 2.141 20 30 DEEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C)c(C#N)cn1 ZINC000563253817 292042435 /nfs/dbraw/zinc/04/24/35/292042435.db2.gz HQTAWWVXWIDVCP-OAHLLOKOSA-N 0 3 300.406 2.208 20 30 DEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C)c(C#N)cn1 ZINC000563253816 292042439 /nfs/dbraw/zinc/04/24/39/292042439.db2.gz HQTAWWVXWIDVCP-HNNXBMFYSA-N 0 3 300.406 2.208 20 30 DEEDHN Cn1cc(CNCCc2csc(N3CCCC3)n2)cc1C#N ZINC000191111347 145052951 /nfs/dbraw/zinc/05/29/51/145052951.db2.gz SBWMJRCIYBKQCI-UHFFFAOYSA-N 0 3 315.446 2.286 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000248395592 145152388 /nfs/dbraw/zinc/15/23/88/145152388.db2.gz OXESKLVKDAUONA-SUMWQHHRSA-N 0 3 308.385 2.137 20 30 DEEDHN CCCN(C)CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000359268807 147295951 /nfs/dbraw/zinc/29/59/51/147295951.db2.gz XTWRBCMVIPPWHZ-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN N#Cc1ccc(C2=CCN(CCCN3CCOCC3)CC2)cc1 ZINC000372417281 148206165 /nfs/dbraw/zinc/20/61/65/148206165.db2.gz VGKICMNJIXFRLB-UHFFFAOYSA-N 0 3 311.429 2.370 20 30 DEEDHN CC1(C)CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000565829170 292184672 /nfs/dbraw/zinc/18/46/72/292184672.db2.gz XZRCGQLBXHFOQL-AWEZNQCLSA-N 0 3 321.446 2.143 20 30 DEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)CCc1ccccn1 ZINC000127672033 401745096 /nfs/dbraw/zinc/74/50/96/401745096.db2.gz PJCSOZYVZHFTIO-UHFFFAOYSA-N 0 3 308.385 2.456 20 30 DEEDHN CS(=O)(=O)CC1(CNC2CC(C#N)(c3ccccc3)C2)CC1 ZINC000128006428 401758972 /nfs/dbraw/zinc/75/89/72/401758972.db2.gz RBNNQTRVKBOVIB-UHFFFAOYSA-N 0 3 318.442 2.025 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2c[nH]c3c2cccc3C)CC1 ZINC000128508250 401780227 /nfs/dbraw/zinc/78/02/27/401780227.db2.gz KZYBVDTXBGYTEB-UHFFFAOYSA-N 0 3 323.440 2.480 20 30 DEEDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)CCC#N ZINC000076074144 401781232 /nfs/dbraw/zinc/78/12/32/401781232.db2.gz KDHHOXBFYRYDCB-AWEZNQCLSA-N 0 3 303.406 2.365 20 30 DEEDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)CCC#N ZINC000076074144 401781234 /nfs/dbraw/zinc/78/12/34/401781234.db2.gz KDHHOXBFYRYDCB-AWEZNQCLSA-N 0 3 303.406 2.365 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COCc1ccco1 ZINC000027208096 401843678 /nfs/dbraw/zinc/84/36/78/401843678.db2.gz PVANACARTZJQIK-MRXNPFEDSA-N 0 3 300.358 2.161 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)cc1 ZINC000078676730 401861577 /nfs/dbraw/zinc/86/15/77/401861577.db2.gz TYIFELKDUKVMMS-CQSZACIVSA-N 0 3 300.406 2.232 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cccnc1)C(C)C ZINC000117803125 401884762 /nfs/dbraw/zinc/88/47/62/401884762.db2.gz VWDXVDRFKDXXIS-KRWDZBQOSA-N 0 3 301.434 2.439 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cccnc1)C(C)C ZINC000117803123 401884839 /nfs/dbraw/zinc/88/48/39/401884839.db2.gz VWDXVDRFKDXXIS-QGZVFWFLSA-N 0 3 301.434 2.439 20 30 DEEDHN CCN(CC)[C@@H](CNC(=O)CSCC#N)c1ccccc1 ZINC000046024435 401964265 /nfs/dbraw/zinc/96/42/65/401964265.db2.gz LSPXXHSYMVEWCC-HNNXBMFYSA-N 0 3 305.447 2.442 20 30 DEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)c1ccccc1C#N ZINC000120405173 401989522 /nfs/dbraw/zinc/98/95/22/401989522.db2.gz MYUNPVLFEYDSIC-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN N#CCCCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093123785 402012341 /nfs/dbraw/zinc/01/23/41/402012341.db2.gz QGXSECTYEQDSGW-UHFFFAOYSA-N 0 3 315.421 2.291 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151834515 402059589 /nfs/dbraw/zinc/05/95/89/402059589.db2.gz FYKHFVUAZCKJMH-UHFFFAOYSA-N 0 3 307.344 2.250 20 30 DEEDHN CN(CCN1CCN(CCCCC#N)CC1)Cc1ccccc1 ZINC000066534555 402135733 /nfs/dbraw/zinc/13/57/33/402135733.db2.gz PSXWGYPUXHVSQB-UHFFFAOYSA-N 0 3 314.477 2.430 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccccc2C)CCOCC1 ZINC000098123467 402137921 /nfs/dbraw/zinc/13/79/21/402137921.db2.gz XAVYFNINUWTYPN-MRXNPFEDSA-N 0 3 316.445 2.324 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(CCOC2)C1 ZINC000153481731 402147948 /nfs/dbraw/zinc/14/79/48/402147948.db2.gz RJPWWMIBOVPRKR-OAHLLOKOSA-N 0 3 305.403 2.061 20 30 DEEDHN COCCCOc1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000102118725 402163039 /nfs/dbraw/zinc/16/30/39/402163039.db2.gz INZFPCACUTXUCJ-AWEZNQCLSA-N 0 3 311.341 2.382 20 30 DEEDHN COCCCOc1ccc(C(=O)C(C#N)c2ccccn2)cn1 ZINC000102118725 402163042 /nfs/dbraw/zinc/16/30/42/402163042.db2.gz INZFPCACUTXUCJ-AWEZNQCLSA-N 0 3 311.341 2.382 20 30 DEEDHN C[C@H](CNC(=O)NCc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000067707439 402169050 /nfs/dbraw/zinc/16/90/50/402169050.db2.gz ASEPKUNGIOAGSL-OAHLLOKOSA-N 0 3 314.433 2.478 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cc(OC)c2O)CC1 ZINC000106918558 402222624 /nfs/dbraw/zinc/22/26/24/402222624.db2.gz ZDRCJQXHHVKZTF-UHFFFAOYSA-N 0 3 318.417 2.480 20 30 DEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCOCC1 ZINC000107064653 402225609 /nfs/dbraw/zinc/22/56/09/402225609.db2.gz AHXDQFRYEKULGV-ZDUSSCGKSA-N 0 3 301.390 2.244 20 30 DEEDHN C=C(C)COc1cc(CN2CCC[C@H](C(N)=O)C2)ccc1OC ZINC000155035835 402242592 /nfs/dbraw/zinc/24/25/92/402242592.db2.gz UNYJWZHKEUMUHE-HNNXBMFYSA-N 0 3 318.417 2.347 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104700683 402204785 /nfs/dbraw/zinc/20/47/85/402204785.db2.gz OJTWSBPXYXFMJA-MRXNPFEDSA-N 0 3 301.390 2.129 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)CNc1cccc(C#N)c1 ZINC000158693782 402310257 /nfs/dbraw/zinc/31/02/57/402310257.db2.gz JRLMOOLOSXQDTD-UHFFFAOYSA-N 0 3 302.422 2.016 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)CN1C1CC1 ZINC000177047204 402363478 /nfs/dbraw/zinc/36/34/78/402363478.db2.gz PZLGMKVETLYLFG-OCCSQVGLSA-N 0 3 315.442 2.392 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)CNC[C@H]1CCCO1 ZINC000236656987 402371618 /nfs/dbraw/zinc/37/16/18/402371618.db2.gz ZHOGMKWSJJSAHK-QGZVFWFLSA-N 0 3 302.418 2.012 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)C2(C#N)CCCCC2)C[C@H](C)O1 ZINC000176684254 402328272 /nfs/dbraw/zinc/32/82/72/402328272.db2.gz INTQKJFHGOLUAG-IYBDPMFKSA-N 0 3 321.465 2.466 20 30 DEEDHN C#CCN1CCC(C(=O)NCCOc2ccccc2Cl)CC1 ZINC000164234692 402460862 /nfs/dbraw/zinc/46/08/62/402460862.db2.gz GAYHIKUXFFXELA-UHFFFAOYSA-N 0 3 320.820 2.180 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCSC3(CCOCC3)C2)cc1 ZINC000186799274 402464668 /nfs/dbraw/zinc/46/46/68/402464668.db2.gz PYSSBMPNFCLMIC-INIZCTEOSA-N 0 3 318.442 2.190 20 30 DEEDHN C[C@H]1CN(CCC2CCN(C(=O)C(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000178254802 402476368 /nfs/dbraw/zinc/47/63/68/402476368.db2.gz UUNNNTPUOCDUHW-GJZGRUSLSA-N 0 3 321.465 2.274 20 30 DEEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN1CCOC ZINC000170808851 402528035 /nfs/dbraw/zinc/52/80/35/402528035.db2.gz VXGHPKPJEWEFHX-HNNXBMFYSA-N 0 3 318.417 2.092 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179563097 402594190 /nfs/dbraw/zinc/59/41/90/402594190.db2.gz OWSNJLVLHPRVAN-SJORKVTESA-N 0 3 302.418 2.267 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CCC[C@H](OCCO)C2)cc1 ZINC000179577844 402595272 /nfs/dbraw/zinc/59/52/72/402595272.db2.gz RWOHGJXSXZWANF-SFHVURJKSA-N 0 3 317.433 2.010 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1 ZINC000171720181 402614555 /nfs/dbraw/zinc/61/45/55/402614555.db2.gz SOQBEQUXQVFWIQ-UHFFFAOYSA-N 0 3 301.346 2.315 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2ccc(OC)cc2)CC1 ZINC000171721882 402615133 /nfs/dbraw/zinc/61/51/33/402615133.db2.gz AWRAJOJCBQCYER-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000171740338 402617377 /nfs/dbraw/zinc/61/73/77/402617377.db2.gz ZBNXAYGARBMFFH-UHFFFAOYSA-N 0 3 303.406 2.184 20 30 DEEDHN Cc1ncccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000171945010 402635161 /nfs/dbraw/zinc/63/51/61/402635161.db2.gz RYSNZSVZTXXRGG-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN Cn1cc(CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N ZINC000190985667 402635272 /nfs/dbraw/zinc/63/52/72/402635272.db2.gz JQWGLMBUJMJVSM-AWEZNQCLSA-N 0 3 318.421 2.386 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)CS(C)(=O)=O)c([O-])c1 ZINC000172000414 402636698 /nfs/dbraw/zinc/63/66/98/402636698.db2.gz JUERCSIOGCCVSU-SEJMYLSOSA-N 0 3 312.435 2.090 20 30 DEEDHN Cn1cc(CNCCc2nc3c(cccc3F)n2C)cc1C#N ZINC000191048511 402638790 /nfs/dbraw/zinc/63/87/90/402638790.db2.gz AJJJWMAAWKAELH-UHFFFAOYSA-N 0 3 311.364 2.255 20 30 DEEDHN C=C(C)CN(C)C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000181274839 402639873 /nfs/dbraw/zinc/63/98/73/402639873.db2.gz JEJPZJAXGJPDMZ-HNNXBMFYSA-N 0 3 309.406 2.089 20 30 DEEDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(OCC#N)cc1 ZINC000182011488 402664081 /nfs/dbraw/zinc/66/40/81/402664081.db2.gz QRLQAIVCMGPPCH-CYBMUJFWSA-N 0 3 322.430 2.064 20 30 DEEDHN CC1CCC2(CC1)OC[C@H](CNCc1cc(C#N)n(C)c1)O2 ZINC000191565824 402679475 /nfs/dbraw/zinc/67/94/75/402679475.db2.gz UQBKAOJXVXVXJJ-PWZRNIHTSA-N 0 3 303.406 2.308 20 30 DEEDHN CCS(=O)(=O)N(C)C1CCN(CCCC(C)(C)C#N)CC1 ZINC000174854901 402760386 /nfs/dbraw/zinc/76/03/86/402760386.db2.gz HVKORLGUFWUXCV-UHFFFAOYSA-N 0 3 315.483 2.062 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183384592 402762112 /nfs/dbraw/zinc/76/21/12/402762112.db2.gz UUDOMJUITSUEBE-INIZCTEOSA-N 0 3 319.380 2.041 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000175257584 402792311 /nfs/dbraw/zinc/79/23/11/402792311.db2.gz KOYQBOIEWHGCML-UHFFFAOYSA-N 0 3 308.385 2.065 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCc2ccc(O)cc2)CC1 ZINC000183734460 402793342 /nfs/dbraw/zinc/79/33/42/402793342.db2.gz WQJDSGIWGLYQAU-UHFFFAOYSA-N 0 3 302.418 2.482 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000175288883 402794909 /nfs/dbraw/zinc/79/49/09/402794909.db2.gz YLSIERVCEFSRPK-SFHVURJKSA-N 0 3 313.445 2.283 20 30 DEEDHN C=CCCCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000175325876 402797321 /nfs/dbraw/zinc/79/73/21/402797321.db2.gz XBFOIYVYJXHBCZ-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2csc(C(C)C)n2)CC1 ZINC000263891570 402817234 /nfs/dbraw/zinc/81/72/34/402817234.db2.gz OCPSPBSLPSIWHH-UHFFFAOYSA-N 0 3 319.474 2.270 20 30 DEEDHN COc1ccc([C@H](CCC#N)NCCCN2CCOC2=O)cc1 ZINC000278733104 402870124 /nfs/dbraw/zinc/87/01/24/402870124.db2.gz MWRRLRNMFXLXNV-INIZCTEOSA-N 0 3 317.389 2.472 20 30 DEEDHN C=CCN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000264410807 402875519 /nfs/dbraw/zinc/87/55/19/402875519.db2.gz GLVQGSYOARHMBF-UHFFFAOYSA-N 0 3 307.379 2.366 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(Cl)cc2OC)CC1 ZINC000264406969 402875806 /nfs/dbraw/zinc/87/58/06/402875806.db2.gz DKWSSHXUEHFGKZ-UHFFFAOYSA-N 0 3 320.820 2.310 20 30 DEEDHN C#CCCOc1ccc(CNCc2ccc(C)n(C)c2=O)cc1 ZINC000278833228 402876153 /nfs/dbraw/zinc/87/61/53/402876153.db2.gz VGLGYIDGQXVGGC-UHFFFAOYSA-N 0 3 310.397 2.386 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC[C@H](c2ccccc2F)C1 ZINC000271618506 402881781 /nfs/dbraw/zinc/88/17/81/402881781.db2.gz WXOJTNQXYYMGTQ-AWEZNQCLSA-N 0 3 303.381 2.377 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](c2ccccc2)n2cccn2)CC1 ZINC000264490491 402883701 /nfs/dbraw/zinc/88/37/01/402883701.db2.gz OBHHQZWYIYINFN-GOSISDBHSA-N 0 3 324.428 2.239 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000264527000 402886700 /nfs/dbraw/zinc/88/67/00/402886700.db2.gz YUXJMFPYUCQFKX-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272446108 402938046 /nfs/dbraw/zinc/93/80/46/402938046.db2.gz PAAXSXZVBNBQQN-PBHICJAKSA-N 0 3 313.401 2.257 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000279588867 402958641 /nfs/dbraw/zinc/95/86/41/402958641.db2.gz RFFGZYRUPQLLMU-CZUORRHYSA-N 0 3 311.385 2.266 20 30 DEEDHN COc1ccc(CNCCNC(=O)c2cccc(C)c2)cc1C#N ZINC000266191846 402967059 /nfs/dbraw/zinc/96/70/59/402967059.db2.gz ITMYXOHDFQXCRI-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000265352491 402912304 /nfs/dbraw/zinc/91/23/04/402912304.db2.gz DLORKHHIMDCWQO-QFIPXVFZSA-N 0 3 321.446 2.196 20 30 DEEDHN COC[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000272246792 402914010 /nfs/dbraw/zinc/91/40/10/402914010.db2.gz ULMIDWCYVUPUCT-IRXDYDNUSA-N 0 3 315.417 2.314 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000265548795 402928385 /nfs/dbraw/zinc/92/83/85/402928385.db2.gz YFGWFQVJLJDRBC-UHFFFAOYSA-N 0 3 323.400 2.490 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)C(=O)Nc1cccc(C#N)c1 ZINC000279338320 402932238 /nfs/dbraw/zinc/93/22/38/402932238.db2.gz UNVHFZPSEVYQNB-JGGQBBKZSA-N 0 3 301.390 2.026 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nnc(C)s2)CC1 ZINC000273702957 403026725 /nfs/dbraw/zinc/02/67/25/403026725.db2.gz OZRQCTHXPIAWQK-LLVKDONJSA-N 0 3 323.466 2.247 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000280710278 403028985 /nfs/dbraw/zinc/02/89/85/403028985.db2.gz UCANRNVEENGIKV-MEDUHNTESA-N 0 3 322.361 2.380 20 30 DEEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000280311049 402986873 /nfs/dbraw/zinc/98/68/73/402986873.db2.gz GBNOVUTUXZPQNI-CVEARBPZSA-N 0 3 313.401 2.418 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCOC1)C(C)C ZINC000267305555 403034940 /nfs/dbraw/zinc/03/49/40/403034940.db2.gz GWSSPPRBSQRERC-DLBZAZTESA-N 0 3 323.481 2.363 20 30 DEEDHN CN(C)[C@]1(CNc2cc(C#N)ccc2[N+](=O)[O-])CCSC1 ZINC000274279356 403041252 /nfs/dbraw/zinc/04/12/52/403041252.db2.gz USFZHQZXAIIOGL-AWEZNQCLSA-N 0 3 306.391 2.316 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000268135294 403052977 /nfs/dbraw/zinc/05/29/77/403052977.db2.gz PKOOQPSFGUMFRC-DCGLDWPTSA-N 0 3 312.417 2.401 20 30 DEEDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc(C#N)cc1Cl ZINC000274520735 403063460 /nfs/dbraw/zinc/06/34/60/403063460.db2.gz WOOPHIACPVDKSZ-GFCCVEGCSA-N 0 3 307.829 2.045 20 30 DEEDHN C#CCOc1cccc(NC(=O)NC2(CN(C)C)CCC2)c1 ZINC000281340303 403065881 /nfs/dbraw/zinc/06/58/81/403065881.db2.gz KRSGDIUIYJFOHE-UHFFFAOYSA-N 0 3 301.390 2.304 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000274784161 403087086 /nfs/dbraw/zinc/08/70/86/403087086.db2.gz JYCHIGKXPODLAP-WMLDXEAASA-N 0 3 315.417 2.153 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCO[C@H]2C(=C)C)CC1 ZINC000281848825 403097779 /nfs/dbraw/zinc/09/77/79/403097779.db2.gz RDIQLNZLZZCXJI-RDJZCZTQSA-N 0 3 321.465 2.307 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1C[C@H](C)O ZINC000269811026 403167563 /nfs/dbraw/zinc/16/75/63/403167563.db2.gz OVJCXGVBNLCETG-ZFWWWQNUSA-N 0 3 304.390 2.181 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C=Cc1c[nH]cn1)C(C)C ZINC000283977049 403236185 /nfs/dbraw/zinc/23/61/85/403236185.db2.gz MMDXRIRARMMYAI-KXPUMZMLSA-N 0 3 302.422 2.238 20 30 DEEDHN CS[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000270415546 403189649 /nfs/dbraw/zinc/18/96/49/403189649.db2.gz BYOPSAAWFDXDKN-HABDOHHLSA-N 0 3 315.442 2.075 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000283364288 403192365 /nfs/dbraw/zinc/19/23/65/403192365.db2.gz NMYCTEIZZPQHHY-JKSUJKDBSA-N 0 3 316.401 2.060 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCC1(O)CCC1)C(C)C ZINC000285013872 403276682 /nfs/dbraw/zinc/27/66/82/403276682.db2.gz RMTWIFRHPDVJGX-INIZCTEOSA-N 0 3 323.481 2.289 20 30 DEEDHN CCC[C@@]1(NCC(=O)N(CCC#N)c2ccccc2)CCOC1 ZINC000285544448 403323088 /nfs/dbraw/zinc/32/30/88/403323088.db2.gz LVOOBNYJVMJBDJ-GOSISDBHSA-N 0 3 315.417 2.482 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000285620046 403340980 /nfs/dbraw/zinc/34/09/80/403340980.db2.gz NFGMKFQZKBBEJG-SFHVURJKSA-N 0 3 317.433 2.226 20 30 DEEDHN N#CCCN(C(=O)CN[C@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000285980093 403423631 /nfs/dbraw/zinc/42/36/31/403423631.db2.gz FGRFNLJBMAONDE-RDJZCZTQSA-N 0 3 315.417 2.074 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000345658549 403424470 /nfs/dbraw/zinc/42/44/70/403424470.db2.gz PCZNVCLSTSNQBE-MOPGFXCFSA-N 0 3 322.408 2.479 20 30 DEEDHN CC(C#N)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000343047084 403443105 /nfs/dbraw/zinc/44/31/05/403443105.db2.gz VPKUVXWXWGKIKD-AWEZNQCLSA-N 0 3 308.385 2.170 20 30 DEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)N1C ZINC000293429459 403470043 /nfs/dbraw/zinc/47/00/43/403470043.db2.gz NSZLSYYVVATDJS-GASCZTMLSA-N 0 3 323.444 2.483 20 30 DEEDHN COc1cccc(OC(F)(F)F)c1CNC(=O)C(C)C#N ZINC000343146388 403476815 /nfs/dbraw/zinc/47/68/15/403476815.db2.gz ZRSBWIVBOYQBNJ-MRVPVSSYSA-N 0 3 302.252 2.370 20 30 DEEDHN N#Cc1ccc(NCC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000332281457 403539322 /nfs/dbraw/zinc/53/93/22/403539322.db2.gz JLFDBLUEIJOBAL-KRWDZBQOSA-N 0 3 312.417 2.057 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000332284648 403540343 /nfs/dbraw/zinc/54/03/43/403540343.db2.gz FDFRAUUWLOPKQV-UHFFFAOYSA-N 0 3 306.454 2.442 20 30 DEEDHN C#CCN(CC)C[C@H](O)COc1ccc(CC=C)cc1OC ZINC000299174457 403541130 /nfs/dbraw/zinc/54/11/30/403541130.db2.gz WAFULYTWJMNTSG-INIZCTEOSA-N 0 3 303.402 2.119 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000345814817 403495654 /nfs/dbraw/zinc/49/56/54/403495654.db2.gz HSVOBTOHTSZTAJ-IAGOWNOFSA-N 0 3 315.417 2.373 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C2CCC2)cc1 ZINC000287157658 403554723 /nfs/dbraw/zinc/55/47/23/403554723.db2.gz MOERLRMIKXCTNN-LLVKDONJSA-N 0 3 321.402 2.389 20 30 DEEDHN CC(C#N)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000346444325 403589895 /nfs/dbraw/zinc/58/98/95/403589895.db2.gz KTQNCCAJQYJWIS-QMMMGPOBSA-N 0 3 312.272 2.135 20 30 DEEDHN COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000346514435 403592478 /nfs/dbraw/zinc/59/24/78/403592478.db2.gz UUDDEUSVXVFMDA-YJBOKZPZSA-N 0 3 314.385 2.171 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)c(Cl)c1F ZINC000293917025 403598109 /nfs/dbraw/zinc/59/81/09/403598109.db2.gz GPBMNOJMWDSPPC-UHFFFAOYSA-N 0 3 300.736 2.303 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2noc3c2CCCC3)CC1 ZINC000287445693 403601469 /nfs/dbraw/zinc/60/14/69/403601469.db2.gz AXQQCZIVOHATDJ-UHFFFAOYSA-N 0 3 318.421 2.003 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000293848361 403579771 /nfs/dbraw/zinc/57/97/71/403579771.db2.gz AFHFCOMFYZJYPE-UONOGXRCSA-N 0 3 306.356 2.140 20 30 DEEDHN CC(C#N)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000347082875 403615166 /nfs/dbraw/zinc/61/51/66/403615166.db2.gz YHXSQHZUFRZTFZ-GWCFXTLKSA-N 0 3 302.765 2.439 20 30 DEEDHN C=CC[C@@H](C(=O)N1CCCN([C@H](C)CO)CC1)c1ccccc1 ZINC000347201779 403620965 /nfs/dbraw/zinc/62/09/65/403620965.db2.gz FHVQLCSEEPOMDC-SJLPKXTDSA-N 0 3 316.445 2.261 20 30 DEEDHN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)C(C)C#N ZINC000347106940 403616686 /nfs/dbraw/zinc/61/66/86/403616686.db2.gz JKVLQAQEFJOGNC-GXTWGEPZSA-N 0 3 315.373 2.093 20 30 DEEDHN CC(C#N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000347132081 403617443 /nfs/dbraw/zinc/61/74/43/403617443.db2.gz YVNJAOPHMQUJRQ-VIFPVBQESA-N 0 3 304.737 2.208 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)c(Cl)n1C ZINC000294009230 403622983 /nfs/dbraw/zinc/62/29/83/403622983.db2.gz PLQAEMZSCMTXHL-UHFFFAOYSA-N 0 3 302.205 2.017 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000294038447 403630945 /nfs/dbraw/zinc/63/09/45/403630945.db2.gz SFDBWLRKIQTJIF-UHFFFAOYSA-N 0 3 324.428 2.174 20 30 DEEDHN C=CCOc1ccc(CN2CCCN([C@H](C)CO)CC2)cc1 ZINC000347249104 403636750 /nfs/dbraw/zinc/63/67/50/403636750.db2.gz CNEDAXCKIMAAHD-MRXNPFEDSA-N 0 3 304.434 2.140 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(COC(C)C)cc1 ZINC000294071020 403639616 /nfs/dbraw/zinc/63/96/16/403639616.db2.gz VXODBURGSXCWEY-UHFFFAOYSA-N 0 3 302.418 2.297 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000343724803 403708631 /nfs/dbraw/zinc/70/86/31/403708631.db2.gz ZAYJGYHALFDTBL-ZDUSSCGKSA-N 0 3 309.435 2.141 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)COc2ccccc2C#N)C1 ZINC000347427562 403706072 /nfs/dbraw/zinc/70/60/72/403706072.db2.gz JDJSNIRNCYSRBB-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)C1(CC)CC ZINC000249456337 286383672 /nfs/dbraw/zinc/38/36/72/286383672.db2.gz PRUZNFAXHVPWTC-ZMSDIMECSA-N 0 3 321.465 2.368 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000343815194 403743822 /nfs/dbraw/zinc/74/38/22/403743822.db2.gz XTVXOPUITNPSHP-CVEARBPZSA-N 0 3 311.470 2.123 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC#N)C1 ZINC000343851881 403759549 /nfs/dbraw/zinc/75/95/49/403759549.db2.gz WLQKFQJTLOCRPN-GOEBONIOSA-N 0 3 300.406 2.425 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C12CCCC2 ZINC000347682748 403804028 /nfs/dbraw/zinc/80/40/28/403804028.db2.gz CZFIJDOFXXROHH-ZMSDIMECSA-N 0 3 321.465 2.368 20 30 DEEDHN COCCCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354462241 403813891 /nfs/dbraw/zinc/81/38/91/403813891.db2.gz GZCMPCDKALPSGD-HNNXBMFYSA-N 0 3 311.341 2.382 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CCC)CC(C)C)CC1 ZINC000343886840 403776908 /nfs/dbraw/zinc/77/69/08/403776908.db2.gz JCUZFQKFUZHKHM-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1cccc(OCCN[C@@]2(CO)CCc3ccccc32)c1 ZINC000305233617 403889081 /nfs/dbraw/zinc/88/90/81/403889081.db2.gz MTJAEIDQKJHBHV-LJQANCHMSA-N 0 3 308.381 2.361 20 30 DEEDHN C=CCN(CCOC)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000361901517 403907598 /nfs/dbraw/zinc/90/75/98/403907598.db2.gz LLXJHRCSKSJEIO-UHFFFAOYSA-N 0 3 321.421 2.293 20 30 DEEDHN C=C[C@@H](C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000305697462 403914085 /nfs/dbraw/zinc/91/40/85/403914085.db2.gz FBYPBFRYDGALFA-CQSZACIVSA-N 0 3 302.418 2.195 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362070526 403923850 /nfs/dbraw/zinc/92/38/50/403923850.db2.gz XNWPHUUHMYGNLD-SJLPKXTDSA-N 0 3 319.493 2.239 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H]1CCc2ccccc2NC1=O ZINC000411650279 403924180 /nfs/dbraw/zinc/92/41/80/403924180.db2.gz SSZFSZMYZDXSJR-QGZVFWFLSA-N 0 3 301.434 2.380 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)Cc1ccc(C#N)cc1 ZINC000344145295 403937203 /nfs/dbraw/zinc/93/72/03/403937203.db2.gz OXBKDPQRGWXJCJ-UHFFFAOYSA-N 0 3 314.477 2.408 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)C[C@H]1CC=CCC1 ZINC000362263283 403940184 /nfs/dbraw/zinc/94/01/84/403940184.db2.gz RRYCDGRMSYKKKS-SJORKVTESA-N 0 3 321.465 2.299 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000354750267 403985960 /nfs/dbraw/zinc/98/59/60/403985960.db2.gz VBZFUJRSDAMOKT-CQSZACIVSA-N 0 3 303.381 2.229 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)[C@H](C#N)CCc3ccccc3)[C@@H]2C1 ZINC000347975545 403989269 /nfs/dbraw/zinc/98/92/69/403989269.db2.gz SRQYGYKBRDPVTF-FGTMMUONSA-N 0 3 311.429 2.312 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411886885 404004661 /nfs/dbraw/zinc/00/46/61/404004661.db2.gz BMCRHQAMVCODLM-OLMNPRSZSA-N 0 3 314.429 2.478 20 30 DEEDHN C=C[C@H](CO)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000290010628 404014641 /nfs/dbraw/zinc/01/46/41/404014641.db2.gz YVGFELMTRHAQIJ-MRXNPFEDSA-N 0 3 314.385 2.306 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000290223459 404086390 /nfs/dbraw/zinc/08/63/90/404086390.db2.gz RBDJOGWBAHRXRI-ABAIWWIYSA-N 0 3 302.353 2.255 20 30 DEEDHN C[C@@H](Cc1ccncc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348291237 404056627 /nfs/dbraw/zinc/05/66/27/404056627.db2.gz APAYVPSEOXTWTE-KSSFIOAISA-N 0 3 318.380 2.383 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000328129960 404105458 /nfs/dbraw/zinc/10/54/58/404105458.db2.gz WBQWFZCQJSVYBD-STQMWFEESA-N 0 3 304.356 2.426 20 30 DEEDHN CN(C)C1(CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000328709918 404136433 /nfs/dbraw/zinc/13/64/33/404136433.db2.gz BNIZHOKEBYQUPR-ZDUSSCGKSA-N 0 3 316.467 2.032 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](C)(C(=O)OC)C1 ZINC000412104834 404136444 /nfs/dbraw/zinc/13/64/44/404136444.db2.gz OFKUKZDCZSNFMU-YOEHRIQHSA-N 0 3 310.438 2.075 20 30 DEEDHN CCc1c(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1C ZINC000355106518 404221428 /nfs/dbraw/zinc/22/14/28/404221428.db2.gz XKCVBZULXBALDQ-ZDUSSCGKSA-N 0 3 311.389 2.395 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296382558 404222232 /nfs/dbraw/zinc/22/22/32/404222232.db2.gz TWEPWZGZJDWBJY-BNOWGMLFSA-N 0 3 317.414 2.105 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000344480575 404168933 /nfs/dbraw/zinc/16/89/33/404168933.db2.gz GLAUJGYTMRVZQD-KBUPBQIOSA-N 0 3 321.465 2.367 20 30 DEEDHN C[C@@H](NC(=O)c1cncs1)C(=O)NCCN1CCCCC1 ZINC000328991860 404193963 /nfs/dbraw/zinc/19/39/63/404193963.db2.gz IPCLGZAYHUWWCT-LLVKDONJSA-N 0 3 310.423 2.279 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000352239048 404238793 /nfs/dbraw/zinc/23/87/93/404238793.db2.gz RWNIVFRCXKXFAU-ARFHVFGLSA-N 0 3 323.481 2.227 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)Cc1c(F)cccc1C#N ZINC000349887940 404247158 /nfs/dbraw/zinc/24/71/58/404247158.db2.gz FHVIAQIIUPJLDK-CYBMUJFWSA-N 0 3 303.381 2.230 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000329196017 404260112 /nfs/dbraw/zinc/26/01/12/404260112.db2.gz VQEXZOBMZZEKBB-RDBSUJKOSA-N 0 3 301.390 2.439 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000341977198 404292731 /nfs/dbraw/zinc/29/27/31/404292731.db2.gz ZFAHMZHNOOZPEN-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC(C)(C)C#N ZINC000355193142 404271861 /nfs/dbraw/zinc/27/18/61/404271861.db2.gz MOJGVASCPDBBIK-HOCLYGCPSA-N 0 3 314.433 2.356 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000296530860 404293361 /nfs/dbraw/zinc/29/33/61/404293361.db2.gz UPKCJMNJYJUQSM-MRXNPFEDSA-N 0 3 316.449 2.341 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000290579417 404226862 /nfs/dbraw/zinc/22/68/62/404226862.db2.gz SLJDOEZYVIDZLG-HFTRVMKXSA-N 0 3 302.418 2.093 20 30 DEEDHN CCCC[C@@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000352397227 404340449 /nfs/dbraw/zinc/34/04/49/404340449.db2.gz IMQRQVLPLNSEFN-SJORKVTESA-N 0 3 322.497 2.189 20 30 DEEDHN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329476776 404348889 /nfs/dbraw/zinc/34/88/89/404348889.db2.gz BQHFQJSQDHKCEV-DZGCQCFKSA-N 0 3 307.438 2.384 20 30 DEEDHN O=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCN(C2CC2)C1 ZINC000329298818 404294350 /nfs/dbraw/zinc/29/43/50/404294350.db2.gz LOPCZEBLGKNJCS-KBPBESRZSA-N 0 3 315.417 2.293 20 30 DEEDHN O=C(NCCC1(O)CCOCC1)[C@@H]1CCCN1C1CCCC1 ZINC000329339610 404306966 /nfs/dbraw/zinc/30/69/66/404306966.db2.gz ZDGWDTWUAMKXRR-HNNXBMFYSA-N 0 3 310.438 2.282 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@H]1N(C)C ZINC000329339451 404307636 /nfs/dbraw/zinc/30/76/36/404307636.db2.gz NSBPANCYKFXVSY-BXUZGUMPSA-N 0 3 317.389 2.079 20 30 DEEDHN C[C@H](CNC(=O)N[C@H](C)[C@H]1CCCOC1)N1CCC(C)CC1 ZINC000329390864 404322694 /nfs/dbraw/zinc/32/26/94/404322694.db2.gz SNJHRZKKBGFQDX-OAGGEKHMSA-N 0 3 311.470 2.426 20 30 DEEDHN [O-]C(NCC1(C(F)(F)F)CC1)=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329703655 404427654 /nfs/dbraw/zinc/42/76/54/404427654.db2.gz ILFVUMOLMOILQO-MRVPVSSYSA-N 0 3 302.300 2.113 20 30 DEEDHN [O-]C(NCC1(C(F)(F)F)CC1)=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329703655 404427663 /nfs/dbraw/zinc/42/76/63/404427663.db2.gz ILFVUMOLMOILQO-MRVPVSSYSA-N 0 3 302.300 2.113 20 30 DEEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+]CC1(C(F)(F)F)CC1 ZINC000329703655 404427674 /nfs/dbraw/zinc/42/76/74/404427674.db2.gz ILFVUMOLMOILQO-MRVPVSSYSA-N 0 3 302.300 2.113 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000355726030 404362895 /nfs/dbraw/zinc/36/28/95/404362895.db2.gz IAWXKBQTKXVFBM-UHFFFAOYSA-N 0 3 304.438 2.362 20 30 DEEDHN C[C@H](CNC(=O)N[C@H](C)[C@H]1CCCOC1)N1CCC[C@@H](C)C1 ZINC000329523281 404365269 /nfs/dbraw/zinc/36/52/69/404365269.db2.gz ROLMMGWMLIVDHO-FPCVCCKLSA-N 0 3 311.470 2.426 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000296938492 404380461 /nfs/dbraw/zinc/38/04/61/404380461.db2.gz PIPZIXUUMLXVSQ-HNNXBMFYSA-N 0 3 317.408 2.280 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N(C)C[C@@H]2CCCN(C)C2)s1 ZINC000329585529 404384297 /nfs/dbraw/zinc/38/42/97/404384297.db2.gz REZGZBQNTJTUQO-CMPLNLGQSA-N 0 3 311.455 2.095 20 30 DEEDHN CCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C ZINC000352501204 404418055 /nfs/dbraw/zinc/41/80/55/404418055.db2.gz SQXNGYTXOJBRDH-OAHLLOKOSA-N 0 3 321.446 2.019 20 30 DEEDHN Cc1nc(N2CCOC[C@H]2[C@@H]2CCCO2)c(Cl)cc1C#N ZINC000329748998 404439078 /nfs/dbraw/zinc/43/90/78/404439078.db2.gz TZKMMLBDEUCCTI-KBPBESRZSA-N 0 3 307.781 2.299 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@]2(C)CCO[C@H]2C2CC2)C1 ZINC000329757282 404442407 /nfs/dbraw/zinc/44/24/07/404442407.db2.gz MTZLYILBVDIAFS-UKPHBRMFSA-N 0 3 309.454 2.180 20 30 DEEDHN Cc1nc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)sc1C ZINC000329811770 404458493 /nfs/dbraw/zinc/45/84/93/404458493.db2.gz ROPICSOCMLGVJK-NOZJJQNGSA-N 0 3 308.451 2.246 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000350753082 404463719 /nfs/dbraw/zinc/46/37/19/404463719.db2.gz WBQIFFABCWDWCJ-UONOGXRCSA-N 0 3 314.437 2.378 20 30 DEEDHN CS(=O)(=O)CC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000414339927 404582839 /nfs/dbraw/zinc/58/28/39/404582839.db2.gz ZTYPJIRRBDVEMY-MRXNPFEDSA-N 0 3 318.442 2.350 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000330200492 404584415 /nfs/dbraw/zinc/58/44/15/404584415.db2.gz AHXCCQNAVXUOHA-LSDHHAIUSA-N 0 3 309.454 2.466 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](CO)c2ccccc2)CC1 ZINC000297676045 404586463 /nfs/dbraw/zinc/58/64/63/404586463.db2.gz OAHJMKDSZXAGMQ-QGZVFWFLSA-N 0 3 317.433 2.012 20 30 DEEDHN CC(C)[C@@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)N(C)C ZINC000342462310 404592143 /nfs/dbraw/zinc/59/21/43/404592143.db2.gz NKFMYFNJXKNXEI-IRXDYDNUSA-N 0 3 315.417 2.044 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H](CO)C2)CC1 ZINC000352825101 404650860 /nfs/dbraw/zinc/65/08/60/404650860.db2.gz IPYRXWIMCFZMOE-CVEARBPZSA-N 0 3 323.481 2.125 20 30 DEEDHN CCC[C@@H]1CN(c2cc(C)nc(C#N)c2)CCN1CCOC ZINC000342492368 404612399 /nfs/dbraw/zinc/61/23/99/404612399.db2.gz LBJOMBMGEYOMGD-MRXNPFEDSA-N 0 3 302.422 2.199 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1cccs1)C1CC1 ZINC000342512563 404624949 /nfs/dbraw/zinc/62/49/49/404624949.db2.gz ONRLQBVUCQJFOZ-INIZCTEOSA-N 0 3 316.430 2.445 20 30 DEEDHN CC1CCN(CCNC(=O)N2CC[C@H](O)C23CCCC3)CC1 ZINC000330351417 404633366 /nfs/dbraw/zinc/63/33/66/404633366.db2.gz MFCWGFZIPKUAAP-HNNXBMFYSA-N 0 3 309.454 2.012 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC[C@H]1C[C@@H](C)O ZINC000352895637 404685574 /nfs/dbraw/zinc/68/55/74/404685574.db2.gz DWVNDIFWXKYMOI-OAGGEKHMSA-N 0 3 309.454 2.010 20 30 DEEDHN CCOC[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356788697 404691989 /nfs/dbraw/zinc/69/19/89/404691989.db2.gz QOUSYEOKMATRSD-XJKSGUPXSA-N 0 3 301.390 2.068 20 30 DEEDHN N#Cc1ncn(CCNCc2cccc(-c3ccccn3)c2)n1 ZINC000353045578 404731021 /nfs/dbraw/zinc/73/10/21/404731021.db2.gz IDHWGORHPDYKQC-UHFFFAOYSA-N 0 3 304.357 2.002 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000357267837 404731277 /nfs/dbraw/zinc/73/12/77/404731277.db2.gz WGVGDZBMJPYPND-LBPRGKRZSA-N 0 3 308.341 2.110 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000357447584 404735038 /nfs/dbraw/zinc/73/50/38/404735038.db2.gz VIANCEJICYQRBN-OAHLLOKOSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](O)C1)C(C)C ZINC000357567550 404738182 /nfs/dbraw/zinc/73/81/82/404738182.db2.gz ILUQOBHOCAWEIG-BBWFWOEESA-N 0 3 323.481 2.097 20 30 DEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCC(C)(C)C#N ZINC000358613657 404768606 /nfs/dbraw/zinc/76/86/06/404768606.db2.gz CCMKQAMZSZQZIQ-UHFFFAOYSA-N 0 3 320.412 2.449 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000357020690 404724542 /nfs/dbraw/zinc/72/45/42/404724542.db2.gz GARQJSGVLLQEJO-JFIYKMOQSA-N 0 3 318.461 2.179 20 30 DEEDHN C=CCOc1ccc(CNC[C@]2(OC)CCOC2)cc1OC ZINC000359624958 404799217 /nfs/dbraw/zinc/79/92/17/404799217.db2.gz OOKNUIMMEUYLAP-QGZVFWFLSA-N 0 3 307.390 2.155 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)CN1 ZINC000415115863 404810503 /nfs/dbraw/zinc/81/05/03/404810503.db2.gz AJELTUUNTPERRN-ZJUUUORDSA-N 0 3 324.331 2.374 20 30 DEEDHN N#CCCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366206836 404773536 /nfs/dbraw/zinc/77/35/36/404773536.db2.gz ZCBUDAFFYUIRPQ-INIZCTEOSA-N 0 3 300.406 2.111 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC(C)C)OC)CC1 ZINC000416672764 404876417 /nfs/dbraw/zinc/87/64/17/404876417.db2.gz APSMSNGMCAVKQR-MRXNPFEDSA-N 0 3 311.470 2.387 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451181289 404890849 /nfs/dbraw/zinc/89/08/49/404890849.db2.gz HPKKRKFOVNMBCO-IJEWVQPXSA-N 0 3 315.417 2.265 20 30 DEEDHN CC1CCN(CCNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435051749 404953009 /nfs/dbraw/zinc/95/30/09/404953009.db2.gz YENNUJHGINELOV-UHFFFAOYSA-N 0 3 311.429 2.438 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000424109192 405008697 /nfs/dbraw/zinc/00/86/97/405008697.db2.gz ZKWZISNAXUCJNW-SJORKVTESA-N 0 3 315.417 2.215 20 30 DEEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000424118758 405013405 /nfs/dbraw/zinc/01/34/05/405013405.db2.gz DUJUQLPMKYEUFS-QLFBSQMISA-N 0 3 309.454 2.450 20 30 DEEDHN Cc1cnn(-c2ccc(NC(=O)[C@H](N)CCCC#N)cc2F)c1 ZINC000424124673 405014103 /nfs/dbraw/zinc/01/41/03/405014103.db2.gz MNPCJFLPVMYBSO-CQSZACIVSA-N 0 3 315.352 2.280 20 30 DEEDHN COCCCOc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424125765 405015255 /nfs/dbraw/zinc/01/52/55/405015255.db2.gz ROZXDZKEGGLMNC-OAHLLOKOSA-N 0 3 305.378 2.062 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000424128798 405015536 /nfs/dbraw/zinc/01/55/36/405015536.db2.gz CGIZOAUOGKFJSU-ZDUSSCGKSA-N 0 3 321.450 2.089 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccccc1OCC#N ZINC000367333146 405016286 /nfs/dbraw/zinc/01/62/86/405016286.db2.gz OXEADXGYTNJYSY-HUUCEWRRSA-N 0 3 313.401 2.288 20 30 DEEDHN CN(c1ccccc1)C1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424155750 405025689 /nfs/dbraw/zinc/02/56/89/405025689.db2.gz OFAGOKQXROHZON-QGZVFWFLSA-N 0 3 314.433 2.135 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)C(C)C ZINC000417072277 405026993 /nfs/dbraw/zinc/02/69/93/405026993.db2.gz XEDYXCFWSJMDJG-IXDOHACOSA-N 0 3 322.497 2.077 20 30 DEEDHN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424167672 405028124 /nfs/dbraw/zinc/02/81/24/405028124.db2.gz HIFJUVFQWLDCOA-PBHICJAKSA-N 0 3 317.433 2.353 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000424167818 405028173 /nfs/dbraw/zinc/02/81/73/405028173.db2.gz FHYKLBHNEMCEJG-BBWFWOEESA-N 0 3 315.417 2.262 20 30 DEEDHN COC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424167681 405028821 /nfs/dbraw/zinc/02/88/21/405028821.db2.gz HIRHKSAQCJSCKE-KGLIPLIRSA-N 0 3 309.797 2.165 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000424182690 405032819 /nfs/dbraw/zinc/03/28/19/405032819.db2.gz UNSSQQKQWPDTOV-LSDHHAIUSA-N 0 3 321.808 2.341 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415972692 404988382 /nfs/dbraw/zinc/98/83/82/404988382.db2.gz LPLPDCDOVGYFND-UHFFFAOYSA-N 0 3 302.378 2.182 20 30 DEEDHN COc1cccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424059816 404988706 /nfs/dbraw/zinc/98/87/06/404988706.db2.gz BWYDAWNIWCKTGL-HOTGVXAUSA-N 0 3 301.390 2.380 20 30 DEEDHN CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424078617 404998387 /nfs/dbraw/zinc/99/83/87/404998387.db2.gz DWTRSYRVEZDRGS-AWEZNQCLSA-N 0 3 317.393 2.176 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCC1(N(C)C)CC1 ZINC000416308706 405097915 /nfs/dbraw/zinc/09/79/15/405097915.db2.gz RKPICUBZFQFDNH-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000424330485 405069979 /nfs/dbraw/zinc/06/99/79/405069979.db2.gz QSMYLRVKMZTVHH-SGMGOOAPSA-N 0 3 307.419 2.401 20 30 DEEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000361541431 405121699 /nfs/dbraw/zinc/12/16/99/405121699.db2.gz PDPWFHAGIZTHTC-OAHLLOKOSA-N 0 3 304.438 2.400 20 30 DEEDHN Cc1cc(Br)cn2cc(CNC(=O)C(C)C#N)nc12 ZINC000354302232 405147924 /nfs/dbraw/zinc/14/79/24/405147924.db2.gz KATBKTSXEDVVRD-VIFPVBQESA-N 0 3 321.178 2.181 20 30 DEEDHN COCCN1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000354309793 405150685 /nfs/dbraw/zinc/15/06/85/405150685.db2.gz AMIKBTVIZCEBEI-UHFFFAOYSA-N 0 3 311.389 2.024 20 30 DEEDHN COc1ccc(CN2C[C@H](CO)[C@H](C)C2)cc1OCCCC#N ZINC000361661707 405188307 /nfs/dbraw/zinc/18/83/07/405188307.db2.gz OHEDOWPFRCUAHS-GDBMZVCRSA-N 0 3 318.417 2.438 20 30 DEEDHN CN(C)CCN(Cc1ccccc1)C(=O)NCC1(C#N)CCC1 ZINC000419640582 405261291 /nfs/dbraw/zinc/26/12/91/405261291.db2.gz IIUROLAMKPHUBG-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(CCOCC3CCC3)C2)nc1 ZINC000419279463 405234582 /nfs/dbraw/zinc/23/45/82/405234582.db2.gz ODQCUDMLXTVTFM-MRXNPFEDSA-N 0 3 301.390 2.223 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(CC(F)F)C2)cc1 ZINC000425077299 405244445 /nfs/dbraw/zinc/24/44/45/405244445.db2.gz REJKAVROAAAGPT-CQSZACIVSA-N 0 3 303.312 2.354 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000438455071 405247475 /nfs/dbraw/zinc/24/74/75/405247475.db2.gz LUJIDKKGYBGIIN-WBVHZDCISA-N 0 3 323.481 2.483 20 30 DEEDHN CN(C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000425643790 405309810 /nfs/dbraw/zinc/30/98/10/405309810.db2.gz JLICGIPBVKHNJR-GVDBMIGSSA-N 0 3 314.433 2.151 20 30 DEEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCCN1C ZINC000421003822 405426233 /nfs/dbraw/zinc/42/62/33/405426233.db2.gz NNUWEEFJNYTJAQ-HNNXBMFYSA-N 0 3 311.389 2.134 20 30 DEEDHN COC(=O)c1ccc(NCCN2CCCC(C)(C)C2)c(C#N)n1 ZINC000568531990 292348622 /nfs/dbraw/zinc/34/86/22/292348622.db2.gz VSTLPADSMHKPIX-UHFFFAOYSA-N 0 3 316.405 2.274 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000448609309 405427130 /nfs/dbraw/zinc/42/71/30/405427130.db2.gz ZVDMSQGUHJURIF-MRXNPFEDSA-N 0 3 310.401 2.098 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](OCC)[C@@H](C)C2)CC1 ZINC000454539085 405360436 /nfs/dbraw/zinc/36/04/36/405360436.db2.gz IVEMKCFLCZARGZ-HOCLYGCPSA-N 0 3 309.454 2.093 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1cncc(C#N)n1 ZINC000420615172 405362018 /nfs/dbraw/zinc/36/20/18/405362018.db2.gz PGRQXADCCYKXDN-UHFFFAOYSA-N 0 3 322.416 2.486 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000448692747 405437459 /nfs/dbraw/zinc/43/74/59/405437459.db2.gz YYRGUZLDCJJJKR-KXBFYZLASA-N 0 3 311.429 2.359 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)C1(OC)CCOCC1 ZINC000421037161 405438266 /nfs/dbraw/zinc/43/82/66/405438266.db2.gz RMNOCBLVUKIFNC-CYBMUJFWSA-N 0 3 304.390 2.241 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)C[C@H]1N(C)C ZINC000455899284 405459640 /nfs/dbraw/zinc/45/96/40/405459640.db2.gz AFBFXRKPBYPAEH-HUUCEWRRSA-N 0 3 318.446 2.262 20 30 DEEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000430738107 405501947 /nfs/dbraw/zinc/50/19/47/405501947.db2.gz CZYZEIXWAFTUKB-LBPRGKRZSA-N 0 3 307.419 2.403 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000577833611 405522200 /nfs/dbraw/zinc/52/22/00/405522200.db2.gz WUXRKZLKQSXWOK-OKILXGFUSA-N 0 3 315.417 2.259 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000493034509 405523342 /nfs/dbraw/zinc/52/33/42/405523342.db2.gz DYTFTPRPWURUGC-FRRDWIJNSA-N 0 3 309.410 2.440 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000556836724 405544598 /nfs/dbraw/zinc/54/45/98/405544598.db2.gz QTAHMJPMLKYRMK-ZDUSSCGKSA-N 0 3 317.408 2.433 20 30 DEEDHN CC(C)(O)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456795961 405571370 /nfs/dbraw/zinc/57/13/70/405571370.db2.gz JFMMQKAXDVXVSP-OAHLLOKOSA-N 0 3 313.401 2.154 20 30 DEEDHN CN(C)S(=O)(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000449470811 405576115 /nfs/dbraw/zinc/57/61/15/405576115.db2.gz KWRDSBSHQDUHKS-ZFWWWQNUSA-N 0 3 321.446 2.109 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000457082814 405687943 /nfs/dbraw/zinc/68/79/43/405687943.db2.gz FBOLYZXWIDMVQV-LBPRGKRZSA-N 0 3 306.797 2.161 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000457090942 405693576 /nfs/dbraw/zinc/69/35/76/405693576.db2.gz MOZZJQLMLTUAQC-QZTJIDSGSA-N 0 3 324.428 2.182 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)N(C)C ZINC000459046356 405713167 /nfs/dbraw/zinc/71/31/67/405713167.db2.gz UYDSNEITDMISKM-AWEZNQCLSA-N 0 3 305.422 2.343 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495442330 405899958 /nfs/dbraw/zinc/89/99/58/405899958.db2.gz FNAJOVJTLHVVCK-BLLLJJGKSA-N 0 3 307.394 2.006 20 30 DEEDHN C=CC1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530819208 405867048 /nfs/dbraw/zinc/86/70/48/405867048.db2.gz ZBSBYQHQCDIYTF-IBGZPJMESA-N 0 3 314.429 2.048 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495615746 405926140 /nfs/dbraw/zinc/92/61/40/405926140.db2.gz BWXYFXGUOAWXJE-GOEBONIOSA-N 0 3 323.437 2.438 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCCC#N ZINC000495727983 405931241 /nfs/dbraw/zinc/93/12/41/405931241.db2.gz KTNDZLVLGXMJDU-ZIAGYGMSSA-N 0 3 311.426 2.294 20 30 DEEDHN CN(C1CCOCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000568835374 292369704 /nfs/dbraw/zinc/36/97/04/292369704.db2.gz FHDZUQYHYBICTQ-QGZVFWFLSA-N 0 3 313.401 2.164 20 30 DEEDHN Cc1nc(NC[C@@H]2CCCN2CCCO)c(Cl)cc1C#N ZINC000450595823 405971894 /nfs/dbraw/zinc/97/18/94/405971894.db2.gz MNHDLBWVEXXGLH-ZDUSSCGKSA-N 0 3 308.813 2.174 20 30 DEEDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(CC#N)ccn1 ZINC000531670851 405992797 /nfs/dbraw/zinc/99/27/97/405992797.db2.gz ITSDFVZLVXMMSV-BZNIZROVSA-N 0 3 309.325 2.315 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000459678692 406004575 /nfs/dbraw/zinc/00/45/75/406004575.db2.gz BJWLZOYAZTWWDT-MJGOQNOKSA-N 0 3 308.381 2.010 20 30 DEEDHN COc1ccc(C#N)cc1CN(CC(C)(C)O)C1CCOCC1 ZINC000532645309 406090974 /nfs/dbraw/zinc/09/09/74/406090974.db2.gz LJYXVZUIIOEHEJ-UHFFFAOYSA-N 0 3 318.417 2.319 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC1 ZINC000562704569 406054538 /nfs/dbraw/zinc/05/45/38/406054538.db2.gz JDTPTDBACAVHDN-DLBZAZTESA-N 0 3 300.402 2.262 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000564918856 406068726 /nfs/dbraw/zinc/06/87/26/406068726.db2.gz WNLARVOGEUXHPI-LMMKCTJWSA-N 0 3 317.429 2.266 20 30 DEEDHN Cc1c(CNC[C@@H](O)CN(C)CCC#N)oc2ccccc12 ZINC000567692416 406120292 /nfs/dbraw/zinc/12/02/92/406120292.db2.gz SWMGYCSQNOSZON-CQSZACIVSA-N 0 3 301.390 2.037 20 30 DEEDHN COc1cc(CN2CCC[C@@H](CCNC(C)=O)C2)ccc1C#N ZINC000517203261 406123893 /nfs/dbraw/zinc/12/38/93/406123893.db2.gz NIYXILZQRPXZQH-HNNXBMFYSA-N 0 3 315.417 2.305 20 30 DEEDHN CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)cc1 ZINC000518757569 406155348 /nfs/dbraw/zinc/15/53/48/406155348.db2.gz FJPRBKQRPATTIN-NVXWUHKLSA-N 0 3 319.449 2.331 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](n2ccnn2)CC1 ZINC000639814867 406267324 /nfs/dbraw/zinc/26/73/24/406267324.db2.gz JDCICZSAZQUJNF-HOTGVXAUSA-N 0 3 319.453 2.118 20 30 DEEDHN C=C(C)CN1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000639808342 406262742 /nfs/dbraw/zinc/26/27/42/406262742.db2.gz ZRMYRFWEOMFUBF-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C[C@@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000489424609 406404881 /nfs/dbraw/zinc/40/48/81/406404881.db2.gz KJSRYCRTWXDQGQ-MSOLQXFVSA-N 0 3 315.461 2.446 20 30 DEEDHN C#CCN(CC)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000490781092 406492878 /nfs/dbraw/zinc/49/28/78/406492878.db2.gz VXXQNTQMHQQRSM-UHFFFAOYSA-N 0 3 303.406 2.422 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@H](CO)CN1CCCC1)c1ccccc1 ZINC000640321223 406464813 /nfs/dbraw/zinc/46/48/13/406464813.db2.gz CIHGIPJJQDFWEU-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OC)cc2CC)CC1 ZINC000491104103 406528789 /nfs/dbraw/zinc/52/87/89/406528789.db2.gz RNJSVDAJWGTJNW-UHFFFAOYSA-N 0 3 314.429 2.219 20 30 DEEDHN C#CCNC(=O)CCN(C)Cc1ccc(Br)cc1C ZINC000491200942 406542572 /nfs/dbraw/zinc/54/25/72/406542572.db2.gz DGVDXAUZEIVKGE-UHFFFAOYSA-N 0 3 323.234 2.329 20 30 DEEDHN C#CCNC(=O)CCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000491201711 406543555 /nfs/dbraw/zinc/54/35/55/406543555.db2.gz IWNWRBMVJOFKAK-UHFFFAOYSA-N 0 3 320.820 2.075 20 30 DEEDHN C#C[C@@H](CC)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000491240497 406552207 /nfs/dbraw/zinc/55/22/07/406552207.db2.gz ADKNAIQZMCXQKX-KRWDZBQOSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000491308684 406565191 /nfs/dbraw/zinc/56/51/91/406565191.db2.gz VYITYVBLYPXLMA-JKSUJKDBSA-N 0 3 315.417 2.377 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000490948021 406509856 /nfs/dbraw/zinc/50/98/56/406509856.db2.gz CNGZECJFOCPOJP-HOTGVXAUSA-N 0 3 306.450 2.040 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000550572795 406603084 /nfs/dbraw/zinc/60/30/84/406603084.db2.gz FDZYTRRIDPTAMM-INIZCTEOSA-N 0 3 312.417 2.352 20 30 DEEDHN Cc1cc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1C#N ZINC000550503141 406603848 /nfs/dbraw/zinc/60/38/48/406603848.db2.gz XTBPXQYNHOSYRO-ZWKOTPCHSA-N 0 3 300.402 2.276 20 30 DEEDHN N#CCCCNC[C@H](O)COc1ccccc1C(F)(F)F ZINC000572237029 406626640 /nfs/dbraw/zinc/62/66/40/406626640.db2.gz QKILZPUADYCZJL-NSHDSACASA-N 0 3 302.296 2.338 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(-c2csc(C)n2)s1 ZINC000491620875 406635271 /nfs/dbraw/zinc/63/52/71/406635271.db2.gz GJMGQZBCPAKQNF-UHFFFAOYSA-N 0 3 319.455 2.409 20 30 DEEDHN C#C[C@@H](C)N(C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000491699207 406675499 /nfs/dbraw/zinc/67/54/99/406675499.db2.gz DOHHIPFSGUPRNM-OAHLLOKOSA-N 0 3 315.486 2.479 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C(C)C)C2(CO)CCCC2)CC1 ZINC000491705701 406679760 /nfs/dbraw/zinc/67/97/60/406679760.db2.gz CWHIJGLBDSJFRF-KRWDZBQOSA-N 0 3 320.477 2.025 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H](SCC)C1 ZINC000491740265 406695600 /nfs/dbraw/zinc/69/56/00/406695600.db2.gz OOLHBQYWLBJYSR-OAHLLOKOSA-N 0 3 311.495 2.259 20 30 DEEDHN C#CCNC(=O)CCN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000491634243 406642784 /nfs/dbraw/zinc/64/27/84/406642784.db2.gz JNJUHPITNMLIQB-KGLIPLIRSA-N 0 3 300.402 2.142 20 30 DEEDHN C#C[C@H](NC(=O)NC1CCN(CC)CC1)c1ccc(F)cc1 ZINC000491817185 406734038 /nfs/dbraw/zinc/73/40/38/406734038.db2.gz NXKVBQCMXZRLNZ-INIZCTEOSA-N 0 3 303.381 2.284 20 30 DEEDHN CCOc1ccc(N(CCC#N)C(=O)/C=C\CN(C)C)cc1 ZINC000491852852 406747931 /nfs/dbraw/zinc/74/79/31/406747931.db2.gz ULAFLFBRHJTYQC-ALCCZGGFSA-N 0 3 301.390 2.450 20 30 DEEDHN C=CCNC(=O)CN(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000646047754 406754763 /nfs/dbraw/zinc/75/47/63/406754763.db2.gz JFZCBPXSXISRCL-SFHVURJKSA-N 0 3 315.461 2.274 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(O)cc2OCCC)CC1 ZINC000491807405 406729992 /nfs/dbraw/zinc/72/99/92/406729992.db2.gz SQAWUSFTOQKHAL-UHFFFAOYSA-N 0 3 316.401 2.465 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)[C@]3(C#N)C[C@H]3C)c2)CC1 ZINC000556244316 406866102 /nfs/dbraw/zinc/86/61/02/406866102.db2.gz KQPBIPZRCVXSGP-KDOFPFPSSA-N 0 3 312.417 2.317 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(F)c(Br)c1 ZINC000641769341 406888626 /nfs/dbraw/zinc/88/86/26/406888626.db2.gz TUXGZULTACWTQK-LLVKDONJSA-N 0 3 300.171 2.452 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CNCCC1(F)F ZINC000644014918 407072177 /nfs/dbraw/zinc/07/21/77/407072177.db2.gz HWRVIDBMVDZJKW-OAHLLOKOSA-N 0 3 324.371 2.455 20 30 DEEDHN C=CC(C)(C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000648141708 407125394 /nfs/dbraw/zinc/12/53/94/407125394.db2.gz QWBYDSJMWMNTII-UHFFFAOYSA-N 0 3 303.406 2.129 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)OC3(CCCC3)C2)CC1 ZINC000645232739 407250847 /nfs/dbraw/zinc/25/08/47/407250847.db2.gz OQISYDYEAQNDNY-OAHLLOKOSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ncc[nH]1 ZINC001099033857 782015000 /nfs/dbraw/zinc/01/50/00/782015000.db2.gz OCABHVNWDFGNLH-CQSZACIVSA-N 0 3 304.438 2.135 20 30 DEEDHN C=CCCOCC(=O)NCCC1(CNCc2ccns2)CC1 ZINC001168418850 782019388 /nfs/dbraw/zinc/01/93/88/782019388.db2.gz IKTOATMCYUADHE-UHFFFAOYSA-N 0 3 323.462 2.112 20 30 DEEDHN NC(=NOCC1CCC1)c1ccccc1CN1CCC(O)CC1 ZINC000269870802 225386419 /nfs/dbraw/zinc/38/64/19/225386419.db2.gz MUNCMGIQPYXANE-UHFFFAOYSA-N 0 3 317.433 2.080 20 30 DEEDHN C[C@H](O)CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280472293 225498828 /nfs/dbraw/zinc/49/88/28/225498828.db2.gz UEOPPAGZWTXXAV-XJKSGUPXSA-N 0 3 313.401 2.154 20 30 DEEDHN O=C(N[C@H](CO)CN1CCCCC1)c1cccc2c1CCC2 ZINC000329182698 225845782 /nfs/dbraw/zinc/84/57/82/225845782.db2.gz OQLOYMQRCAGGEA-HNNXBMFYSA-N 0 3 302.418 2.327 20 30 DEEDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330748629 226029368 /nfs/dbraw/zinc/02/93/68/226029368.db2.gz AMSFXWSNDARFCP-SNVBAGLBSA-N 0 3 304.350 2.253 20 30 DEEDHN C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)C1=CCN(C)CC1 ZINC000330795066 226031419 /nfs/dbraw/zinc/03/14/19/226031419.db2.gz WLQVNXMKSWAQRE-JTQLQIEISA-N 0 3 313.352 2.125 20 30 DEEDHN C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CN1CCN(C)CC1 ZINC000330905645 226042243 /nfs/dbraw/zinc/04/22/43/226042243.db2.gz ROFWRHBQZYTVJL-CYBMUJFWSA-N 0 3 322.453 2.160 20 30 DEEDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000331099999 226060002 /nfs/dbraw/zinc/06/00/02/226060002.db2.gz OECPROGDTHQNRG-CQSZACIVSA-N 0 3 324.406 2.040 20 30 DEEDHN N#CC1(CCCN2CCS[C@H]3COCC[C@H]32)CCOCC1 ZINC000369198406 227024635 /nfs/dbraw/zinc/02/46/35/227024635.db2.gz OGAVDXGVFSOOEC-CABCVRRESA-N 0 3 310.463 2.293 20 30 DEEDHN CN(C(=O)CN1CC[C@H]([C@@H]2CCOC2)C1)C1(C#N)CCCCC1 ZINC000372147851 227085091 /nfs/dbraw/zinc/08/50/91/227085091.db2.gz BASLBTNXEJYSJN-JKSUJKDBSA-N 0 3 319.449 2.030 20 30 DEEDHN CN(C(=O)CN[C@]1(C)CCO[C@H]1C1CC1)C1(C#N)CCCCC1 ZINC000374597749 227136113 /nfs/dbraw/zinc/13/61/13/227136113.db2.gz UWKVPDZCVAVYNQ-DLBZAZTESA-N 0 3 319.449 2.218 20 30 DEEDHN Cc1c([C@@H](C)NCCC(=O)Nc2ccccc2C#N)cnn1C ZINC000298818941 228776986 /nfs/dbraw/zinc/77/69/86/228776986.db2.gz FWPYDFNFBNSAPX-GFCCVEGCSA-N 0 3 311.389 2.280 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299301066 229037048 /nfs/dbraw/zinc/03/70/48/229037048.db2.gz MYWIKUNSJZTOLS-IXDOHACOSA-N 0 3 313.401 2.211 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299489212 229147368 /nfs/dbraw/zinc/14/73/68/229147368.db2.gz ZZOLVNWQNZFYAD-BFHYXJOUSA-N 0 3 319.430 2.272 20 30 DEEDHN C=CCONC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000834929654 649861154 /nfs/dbraw/zinc/86/11/54/649861154.db2.gz SDVSVXBUHYXUKD-INIZCTEOSA-N 0 3 321.421 2.495 20 30 DEEDHN CC(C)[C@H](CNc1cc(C#N)ncn1)N1CCc2ccccc2C1 ZINC000570579765 424928339 /nfs/dbraw/zinc/92/83/39/424928339.db2.gz CMGQPKXEXHCQBG-SFHVURJKSA-N 0 3 321.428 2.843 20 30 DEEDHN Cc1ccc([C@H](CNc2ccc(C#N)c(N)n2)N2CCCC2)o1 ZINC000571061346 424930237 /nfs/dbraw/zinc/93/02/37/424930237.db2.gz VXKRVXYKAFCQSZ-AWEZNQCLSA-N 0 3 311.389 2.686 20 30 DEEDHN CN(C)[C@@H](CC(=O)N1CCSC[C@H]1C#N)c1ccccc1 ZINC000416194510 424956412 /nfs/dbraw/zinc/95/64/12/424956412.db2.gz UBNDNUXNZOAVIW-CABCVRRESA-N 0 3 303.431 2.147 20 30 DEEDHN CCN(CC)[C@@H](CNc1cc(C#N)ncn1)c1ccsc1 ZINC000581981134 424977084 /nfs/dbraw/zinc/97/70/84/424977084.db2.gz XAHZVVKYMGFWPE-AWEZNQCLSA-N 0 3 301.419 2.905 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(n2cc(Br)cn2)CC1 ZINC000649305181 424989383 /nfs/dbraw/zinc/98/93/83/424989383.db2.gz BUWBEMRCSHNVEZ-ZDUSSCGKSA-N 0 3 314.227 2.220 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000649361811 425000078 /nfs/dbraw/zinc/00/00/78/425000078.db2.gz GYIGSANADUMSRT-MRXNPFEDSA-N 0 3 321.396 2.349 20 30 DEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC[C@H](C)C1)[C@@H](C)COC ZINC000663794530 425238439 /nfs/dbraw/zinc/23/84/39/425238439.db2.gz WQJJTFKFIOAHGT-XHSDSOJGSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654317375 425327306 /nfs/dbraw/zinc/32/73/06/425327306.db2.gz GXYKBEWWCZOEJE-CABCVRRESA-N 0 3 315.417 2.393 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C2CC2)C(C)(C)CO)CC1 ZINC000664017637 425290436 /nfs/dbraw/zinc/29/04/36/425290436.db2.gz YTRRNSYTXZSILD-MRXNPFEDSA-N 0 3 323.481 2.123 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cnccc2C#N)CN1Cc1ccccc1 ZINC000358859284 267081249 /nfs/dbraw/zinc/08/12/49/267081249.db2.gz WLXNVEQZDRZMNN-RHSMWYFYSA-N 0 3 320.396 2.346 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000658828099 425506303 /nfs/dbraw/zinc/50/63/03/425506303.db2.gz ZOWIOUAGRWBKIT-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCN(C(=O)Nc1cccc2c1CCNC2)[C@H](C)COC ZINC000659019211 425520810 /nfs/dbraw/zinc/52/08/10/425520810.db2.gz WZDNHLRPRCDBLS-CYBMUJFWSA-N 0 3 303.406 2.387 20 30 DEEDHN C=CCN(CCOC)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659044017 425524068 /nfs/dbraw/zinc/52/40/68/425524068.db2.gz RQGADVNCWWJCHQ-MRXNPFEDSA-N 0 3 319.405 2.014 20 30 DEEDHN C=CCOCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000660324739 425793690 /nfs/dbraw/zinc/79/36/90/425793690.db2.gz OAXMJCVUSSWFJC-UHFFFAOYSA-N 0 3 305.422 2.140 20 30 DEEDHN Cc1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c[nH]c1=O ZINC000527317986 268010754 /nfs/dbraw/zinc/01/07/54/268010754.db2.gz KANOQBUEJDKAAB-CQSZACIVSA-N 0 3 306.325 2.288 20 30 DEEDHN N#Cc1cc(CN[C@@]2(CO)COc3ccccc3C2)ccc1F ZINC000528655576 268180056 /nfs/dbraw/zinc/18/00/56/268180056.db2.gz ZESNSDWDRMPMNG-SFHVURJKSA-N 0 3 312.344 2.153 20 30 DEEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000370831728 269084761 /nfs/dbraw/zinc/08/47/61/269084761.db2.gz VXTMZCMTWDHLCU-MRXNPFEDSA-N 0 3 320.396 2.026 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCOC3(CCC3)C2)C(N)=O)cc1 ZINC000516635222 269366748 /nfs/dbraw/zinc/36/67/48/269366748.db2.gz UBQRWAHODWKBJW-ZBFHGGJFSA-N 0 3 313.401 2.024 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccncc1OCCN(C)C ZINC000330897953 287677438 /nfs/dbraw/zinc/67/74/38/287677438.db2.gz MLDMJYZXCAMNBJ-ZIAGYGMSSA-N 0 3 320.437 2.309 20 30 DEEDHN CC(C)(CCN[C@@H]1CCc2ccc(C#N)cc21)S(C)(=O)=O ZINC000414252726 275547519 /nfs/dbraw/zinc/54/75/19/275547519.db2.gz HXYMHKLYAJZSMZ-OAHLLOKOSA-N 0 3 306.431 2.348 20 30 DEEDHN CN1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000329239916 276883827 /nfs/dbraw/zinc/88/38/27/276883827.db2.gz QRBRDBOORYMSBC-TZMCWYRMSA-N 0 3 310.442 2.118 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000458336705 276894940 /nfs/dbraw/zinc/89/49/40/276894940.db2.gz PVVMNILWCJUKTL-SJORKVTESA-N 0 3 303.450 2.467 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCc3c[nH]nc32)C1 ZINC000329282400 277156539 /nfs/dbraw/zinc/15/65/39/277156539.db2.gz MVDZWQKREVGTMB-QLFBSQMISA-N 0 3 317.437 2.117 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](N2CCCCC2)C1 ZINC000341146060 277772460 /nfs/dbraw/zinc/77/24/60/277772460.db2.gz PCRZWVZHNHVUES-DLBZAZTESA-N 0 3 307.482 2.360 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)OC)C(C)C ZINC000285471419 277851966 /nfs/dbraw/zinc/85/19/66/277851966.db2.gz HLWDBGVSAGDWJY-BZUAXINKSA-N 0 3 322.449 2.000 20 30 DEEDHN CC[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C#N)cc1 ZINC000278730976 288088086 /nfs/dbraw/zinc/08/80/86/288088086.db2.gz MUKIIPLQDQJKRN-HOTGVXAUSA-N 0 3 321.446 2.023 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001086128766 784425725 /nfs/dbraw/zinc/42/57/25/784425725.db2.gz KKWUXZSYHDSRRV-RFQIPJPRSA-N 0 3 300.830 2.038 20 30 DEEDHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329648364 295011848 /nfs/dbraw/zinc/01/18/48/295011848.db2.gz AWOJCBXIHPDVDH-YUTCNCBUSA-N 0 3 308.426 2.211 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)[C@H]1C ZINC001088964149 782084843 /nfs/dbraw/zinc/08/48/43/782084843.db2.gz NWSNHHONKMGDSP-CJNGLKHVSA-N 0 3 302.422 2.062 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2c(C)noc2C)C[C@H]1C ZINC001328283816 1148765341 /nfs/dbraw/zinc/76/53/41/1148765341.db2.gz MNJUVPBWSBULOV-CJNGLKHVSA-N 0 3 317.433 2.216 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001479992249 1151283465 /nfs/dbraw/zinc/28/34/65/1151283465.db2.gz MNTGAYXTPYBULD-SFHVURJKSA-N 0 3 308.466 2.427 20 30 DEEDHN CO[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC001349821982 1151291235 /nfs/dbraw/zinc/29/12/35/1151291235.db2.gz CMZXYQQBUACLJB-LSDHHAIUSA-N 0 3 307.369 2.041 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H](C2CCOCC2)C1 ZINC001349895146 1151304647 /nfs/dbraw/zinc/30/46/47/1151304647.db2.gz YUEOKJCVSGQIBF-HOTGVXAUSA-N 0 3 307.438 2.063 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)CCC2CCC2)CC1 ZINC001424546817 1173826672 /nfs/dbraw/zinc/82/66/72/1173826672.db2.gz LBKSFDUWMFFGRN-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000573696384 326083161 /nfs/dbraw/zinc/08/31/61/326083161.db2.gz SHIQEVDFNCSFIG-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@@H](CNC(=O)Nc1cccc(C#N)n1)N1CCCC[C@@H]1C ZINC000574398125 326150588 /nfs/dbraw/zinc/15/05/88/326150588.db2.gz OTSVQOUAAWTORB-STQMWFEESA-N 0 3 301.394 2.338 20 30 DEEDHN C[C@H](CNC(=O)Nc1cccc(C#N)n1)N1CCCC[C@@H]1C ZINC000574398124 326150664 /nfs/dbraw/zinc/15/06/64/326150664.db2.gz OTSVQOUAAWTORB-QWHCGFSZSA-N 0 3 301.394 2.338 20 30 DEEDHN N#Cc1cnn2cc(CNCCOC3CCCCCC3)cnc12 ZINC000577178135 326347818 /nfs/dbraw/zinc/34/78/18/326347818.db2.gz NKANRSANUSSHPO-UHFFFAOYSA-N 0 3 313.405 2.430 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2sccc2C#N)[C@@H]2CCCO[C@H]21 ZINC000577187564 326348532 /nfs/dbraw/zinc/34/85/32/326348532.db2.gz OHSAMACANSRABI-IACUBPJLSA-N 0 3 319.430 2.351 20 30 DEEDHN N#Cc1cc2c(nc1N1CC[C@@H](N3CCCCC3)C1)CCOC2 ZINC000577466708 326368329 /nfs/dbraw/zinc/36/83/29/326368329.db2.gz LIRRHBBJJOGPTP-MRXNPFEDSA-N 0 3 312.417 2.091 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(OC)c(C)c(OC)c2)CC1 ZINC000294477726 335123135 /nfs/dbraw/zinc/12/31/35/335123135.db2.gz IZJZWOBURAGYGK-UHFFFAOYSA-N 0 3 316.401 2.296 20 30 DEEDHN CC(C)(CNC(=O)N1CCC(F)(C#N)CC1)N1CCCCC1 ZINC000343779113 335192232 /nfs/dbraw/zinc/19/22/32/335192232.db2.gz INZGBIIVESRUEP-UHFFFAOYSA-N 0 3 310.417 2.288 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCCC[C@H]1C ZINC000344090326 335216982 /nfs/dbraw/zinc/21/69/82/335216982.db2.gz BSAIBVXHEJKMGF-ZIAGYGMSSA-N 0 3 310.417 2.287 20 30 DEEDHN COc1ccc([C@H](CCC#N)NC[C@H](O)[C@@H]2CCOC2)cc1 ZINC000583604478 335771960 /nfs/dbraw/zinc/77/19/60/335771960.db2.gz CSHSACHALXWSEY-PVAVHDDUSA-N 0 3 304.390 2.027 20 30 DEEDHN C[C@H]1CCCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582266307 336862358 /nfs/dbraw/zinc/86/23/58/336862358.db2.gz OTUGPOUEDFKDLQ-ZFWWWQNUSA-N 0 3 321.446 2.143 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000375112712 337003694 /nfs/dbraw/zinc/00/36/94/337003694.db2.gz WMKHQGGFRWEUKO-SJLPKXTDSA-N 0 3 321.465 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)C(C)(C)C)CC1 ZINC000582624071 337115862 /nfs/dbraw/zinc/11/58/62/337115862.db2.gz XGKYQHSHQDUZGE-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN COc1ccc([C@H](CN2CCCC2)Nc2ccnc(C#N)n2)cc1 ZINC000584421671 337323992 /nfs/dbraw/zinc/32/39/92/337323992.db2.gz ZIPCYZUYJVMUPM-INIZCTEOSA-N 0 3 323.400 2.028 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2cccs2)cc1 ZINC000037749026 337367690 /nfs/dbraw/zinc/36/76/90/337367690.db2.gz LYAICWVFUAHUNL-HNNXBMFYSA-N 0 3 302.399 2.287 20 30 DEEDHN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@H](N)CCCC#N ZINC000424166114 337789661 /nfs/dbraw/zinc/78/96/61/337789661.db2.gz FWVMWFCDCOGHLQ-CQSZACIVSA-N 0 3 311.389 2.056 20 30 DEEDHN CC(C#N)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000430447227 338107259 /nfs/dbraw/zinc/10/72/59/338107259.db2.gz MKAGFGLHUKHBSP-PVUWLOKVSA-N 0 3 304.365 2.175 20 30 DEEDHN CN1CCC(NN=C2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000496212353 340000655 /nfs/dbraw/zinc/00/06/55/340000655.db2.gz KNZZNUBHNUSQAG-CYBMUJFWSA-N 0 3 324.469 2.349 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000496857924 340014702 /nfs/dbraw/zinc/01/47/02/340014702.db2.gz OGOLSEYFMHPGJO-XHSDSOJGSA-N 0 3 302.374 2.335 20 30 DEEDHN COc1ccccc1COC[C@@H](O)CN1CCC(CC#N)CC1 ZINC000541020051 340956358 /nfs/dbraw/zinc/95/63/58/340956358.db2.gz IANBLGOVIGGYPI-KRWDZBQOSA-N 0 3 318.417 2.198 20 30 DEEDHN N#CCC1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000543807898 341059840 /nfs/dbraw/zinc/05/98/40/341059840.db2.gz SVLRHIAGYLQMKS-MRXNPFEDSA-N 0 3 306.381 2.329 20 30 DEEDHN CCc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)on1 ZINC000547771869 341231768 /nfs/dbraw/zinc/23/17/68/341231768.db2.gz SFNQAZIPXQLMNS-CQSZACIVSA-N 0 3 308.341 2.107 20 30 DEEDHN C[C@@H](C#N)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078598097 341244692 /nfs/dbraw/zinc/24/46/92/341244692.db2.gz ANZVLMIIQFGGKA-DZGCQCFKSA-N 0 3 303.381 2.314 20 30 DEEDHN CC#CCNC(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000136015985 341250435 /nfs/dbraw/zinc/25/04/35/341250435.db2.gz HUBNSHYHUWWTLI-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000248431495 341377685 /nfs/dbraw/zinc/37/76/85/341377685.db2.gz CENLNDRQPJQRHV-HZPDHXFCSA-N 0 3 314.433 2.452 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000565290524 341522844 /nfs/dbraw/zinc/52/28/44/341522844.db2.gz GBLHNYNRGQNLLS-RBSFLKMASA-N 0 3 319.449 2.265 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(C)nnc1C)C1CC1 ZINC001378391463 1152314762 /nfs/dbraw/zinc/31/47/62/1152314762.db2.gz AFRSNNYPSPJCQQ-INIZCTEOSA-N 0 3 322.840 2.334 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)[C@H]1C ZINC001089043563 782134141 /nfs/dbraw/zinc/13/41/41/782134141.db2.gz JZTZBLMQTJMBKG-OCCSQVGLSA-N 0 3 324.856 2.308 20 30 DEEDHN CCc1nocc1CN1CCC(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001378474327 1152342568 /nfs/dbraw/zinc/34/25/68/1152342568.db2.gz XQXMZSBAGFPWTL-ZDUSSCGKSA-N 0 3 318.421 2.115 20 30 DEEDHN CCCC[C@@H](CN[C@H](C)c1n[nH]c(C)n1)NC(=O)C#CC(C)C ZINC001329876963 1149008699 /nfs/dbraw/zinc/00/86/99/1149008699.db2.gz TZOUBSCZKZYNLM-HIFRSBDPSA-N 0 3 319.453 2.098 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cn1nccc1C ZINC001377965959 1160885352 /nfs/dbraw/zinc/88/53/52/1160885352.db2.gz OPGVEOCHVHCLOM-UHFFFAOYSA-N 0 3 312.845 2.018 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc([C@@H](C)CC(N)=O)cc1 ZINC001358443870 1152386175 /nfs/dbraw/zinc/38/61/75/1152386175.db2.gz FMFBWHHCLUCNRN-WFASDCNBSA-N 0 3 303.406 2.288 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2csc(CC)n2)C1 ZINC001330084396 1149048084 /nfs/dbraw/zinc/04/80/84/1149048084.db2.gz GFMVSOSBZZEACD-LBPRGKRZSA-N 0 3 307.463 2.261 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001330174003 1149059963 /nfs/dbraw/zinc/05/99/63/1149059963.db2.gz CFSAVEVMJOCDNN-WSYSLRRZSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC001330230064 1149074255 /nfs/dbraw/zinc/07/42/55/1149074255.db2.gz KWHYPVHWYIYEPI-HNNXBMFYSA-N 0 3 306.450 2.372 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001440394359 1181478341 /nfs/dbraw/zinc/47/83/41/1181478341.db2.gz DWOZFRZDUHOIGM-CQSZACIVSA-N 0 3 301.862 2.051 20 30 DEEDHN COc1cc(CNCCC(=O)NC2CCCCC2)ccc1C#N ZINC000440813855 533874185 /nfs/dbraw/zinc/87/41/85/533874185.db2.gz NLNVESRGGLRUBP-UHFFFAOYSA-N 0 3 315.417 2.495 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)C(C)C)[C@@H]2C1 ZINC001330340541 1149095360 /nfs/dbraw/zinc/09/53/60/1149095360.db2.gz SOFHKDRWIJDBBQ-AKHDSKFASA-N 0 3 310.441 2.353 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1(CC#N)CC1 ZINC000341455259 534026511 /nfs/dbraw/zinc/02/65/11/534026511.db2.gz DPHKCLBVLCHACJ-OAHLLOKOSA-N 0 3 314.433 2.500 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)NCc2ccccc2F)C1 ZINC001330382419 1149104857 /nfs/dbraw/zinc/10/48/57/1149104857.db2.gz IKDMHIYECSFGRO-RHSMWYFYSA-N 0 3 320.408 2.497 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001378891265 1152481614 /nfs/dbraw/zinc/48/16/14/1152481614.db2.gz KVFZXOPOCICASH-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(OCC)cc1 ZINC000451677793 534573158 /nfs/dbraw/zinc/57/31/58/534573158.db2.gz VPOHXXDLIXKCNP-CVEARBPZSA-N 0 3 304.390 2.347 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453372797 534611135 /nfs/dbraw/zinc/61/11/35/534611135.db2.gz VREDZUQNLDVUSY-GLQYFDAESA-N 0 3 310.419 2.052 20 30 DEEDHN Cn1cc(C(=O)NCC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cn1 ZINC000328783739 534722097 /nfs/dbraw/zinc/72/20/97/534722097.db2.gz VKUVMXUXUUEQBS-GOEBONIOSA-N 0 3 315.421 2.129 20 30 DEEDHN C[C@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000339206652 524384703 /nfs/dbraw/zinc/38/47/03/524384703.db2.gz TZHNVNPLZXQIEY-HUUCEWRRSA-N 0 3 314.433 2.349 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1 ZINC000371807338 526425967 /nfs/dbraw/zinc/42/59/67/526425967.db2.gz AHGNOUZERQSIJP-HNNXBMFYSA-N 0 3 321.465 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@H]2OC)CC1 ZINC000340968699 526592087 /nfs/dbraw/zinc/59/20/87/526592087.db2.gz CVIDWNDSKNVQRY-GDBMZVCRSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)[C@H](C)CC)cc1 ZINC000262323224 526618328 /nfs/dbraw/zinc/61/83/28/526618328.db2.gz SEMWPOKRXRWURQ-RISCZKNCSA-N 0 3 304.394 2.306 20 30 DEEDHN C=CCOCCN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000292779683 526770842 /nfs/dbraw/zinc/77/08/42/526770842.db2.gz KMRGNBPQCZVWOB-UHFFFAOYSA-N 0 3 320.408 2.357 20 30 DEEDHN C#CCN(C)CCCNc1cc(CC)nc(-c2ccncc2)n1 ZINC000292832902 526829170 /nfs/dbraw/zinc/82/91/70/526829170.db2.gz PTPFCWPFLLHNKH-UHFFFAOYSA-N 0 3 309.417 2.468 20 30 DEEDHN C=CCOc1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423102045 526887570 /nfs/dbraw/zinc/88/75/70/526887570.db2.gz JNOXAJDTBMZJJK-ROUUACIJSA-N 0 3 302.418 2.108 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000299609895 526926152 /nfs/dbraw/zinc/92/61/52/526926152.db2.gz OEEHXACFEFALMH-UHFFFAOYSA-N 0 3 308.784 2.441 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417587232 526939324 /nfs/dbraw/zinc/93/93/24/526939324.db2.gz BNLOIBGMYZLLOA-KGLIPLIRSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCN1CC(C)C ZINC000341535426 526962233 /nfs/dbraw/zinc/96/22/33/526962233.db2.gz SHDJKQMLNDGRJW-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN CC(C)(CCC#N)CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000377170631 526996164 /nfs/dbraw/zinc/99/61/64/526996164.db2.gz XKQIPROGBCYQHW-OAHLLOKOSA-N 0 3 307.438 2.076 20 30 DEEDHN C=CCSc1ccccc1NC(=O)CN1CCN[C@@H](C)C1 ZINC000420343401 527012528 /nfs/dbraw/zinc/01/25/28/527012528.db2.gz YWCOZVWWVHHCKB-ZDUSSCGKSA-N 0 3 305.447 2.197 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000369618159 527027309 /nfs/dbraw/zinc/02/73/09/527027309.db2.gz BJMJEHWWMLSABV-DOTOQJQBSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000341869569 527083006 /nfs/dbraw/zinc/08/30/06/527083006.db2.gz AYDWFVHSTNANDY-NWDGAFQWSA-N 0 3 315.410 2.064 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000293044462 527122172 /nfs/dbraw/zinc/12/21/72/527122172.db2.gz XOOFSXARWLESBR-SFHVURJKSA-N 0 3 313.401 2.258 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000298075037 527280056 /nfs/dbraw/zinc/28/00/56/527280056.db2.gz VERVMKSOJNPZRD-SJORKVTESA-N 0 3 317.433 2.255 20 30 DEEDHN C=CCn1c(C2CCC2)nnc1N1CCN(CC2CC2)CC1 ZINC000337820511 527309424 /nfs/dbraw/zinc/30/94/24/527309424.db2.gz RMPPQUSZANBBPN-UHFFFAOYSA-N 0 3 301.438 2.264 20 30 DEEDHN C=C[C@@H]1CCCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000331106871 527457254 /nfs/dbraw/zinc/45/72/54/527457254.db2.gz ADFRMFBKEGGHBE-SNVBAGLBSA-N 0 3 307.316 2.010 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](O)C[C@H](C)C1)C(C)C ZINC000413121627 527648434 /nfs/dbraw/zinc/64/84/34/527648434.db2.gz WLHJLFPNADRYOJ-GVDBMIGSSA-N 0 3 323.481 2.097 20 30 DEEDHN CCN(CC)C(=O)CCC1CCN(CCOCCC#N)CC1 ZINC000339083080 527998455 /nfs/dbraw/zinc/99/84/55/527998455.db2.gz YDWCSJRTSJVPIV-UHFFFAOYSA-N 0 3 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C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnn2C2CCC2)C1 ZINC001025425239 625423245 /nfs/dbraw/zinc/42/32/45/625423245.db2.gz OLUIQYIRBGKZBG-CABCVRRESA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001025435826 625432711 /nfs/dbraw/zinc/43/27/11/625432711.db2.gz HTXLLYLCEABEKR-JSGCOSHPSA-N 0 3 321.371 2.483 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001025439858 625437157 /nfs/dbraw/zinc/43/71/57/625437157.db2.gz ODJQYQITSMXDMG-NEPJUHHUSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc3cccnc32)C[C@H]1C ZINC000947594189 625439811 /nfs/dbraw/zinc/43/98/11/625439811.db2.gz UQGISYRPIIFATG-QAPCUYQASA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ncc3ccccn32)C1 ZINC001025482869 625474371 /nfs/dbraw/zinc/47/43/71/625474371.db2.gz RRXRPXWHKNYBLZ-HOTGVXAUSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3nccc4ccccc43)[C@@H]2C1 ZINC000978656228 634385547 /nfs/dbraw/zinc/38/55/47/634385547.db2.gz 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C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3cncs3)C2)cc1 ZINC001020456529 622685353 /nfs/dbraw/zinc/68/53/53/622685353.db2.gz UITYIMAFYUFBBS-SHTZXODSSA-N 0 3 311.410 2.175 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CNCc2cnns2)C1 ZINC001024092599 625586577 /nfs/dbraw/zinc/58/65/77/625586577.db2.gz FLXLGLVQXLOSSL-GFCCVEGCSA-N 0 3 308.451 2.079 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OCC2CC2)cc1 ZINC000120275562 622696526 /nfs/dbraw/zinc/69/65/26/622696526.db2.gz RUHYXPZMJSECNN-ABAIWWIYSA-N 0 3 316.357 2.158 20 30 DEEDHN C[C@@]1(NC(=O)c2ccc(Cl)c(C#N)c2)CN2CCC1CC2 ZINC000892780325 625589889 /nfs/dbraw/zinc/58/98/89/625589889.db2.gz RYMOIGCWWBQLNT-MRXNPFEDSA-N 0 3 303.793 2.426 20 30 DEEDHN C[C@H]1C[C@@H]1CC(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001020549415 622799000 /nfs/dbraw/zinc/79/90/00/622799000.db2.gz VVGWWSBZOAUBSI-MWNCTCPHSA-N 0 3 315.392 2.480 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001025586187 625598052 /nfs/dbraw/zinc/59/80/52/625598052.db2.gz 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ZINC001020892510 623178074 /nfs/dbraw/zinc/17/80/74/623178074.db2.gz SMCDIODUMYXJEQ-SYQHCUMBSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001020914149 623186412 /nfs/dbraw/zinc/18/64/12/623186412.db2.gz YDJVTSYNDIRKJN-HDJSIYSDSA-N 0 3 323.824 2.472 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2OC)C1 ZINC001025602778 625628117 /nfs/dbraw/zinc/62/81/17/625628117.db2.gz LLBJONUVURPJEV-LSDHHAIUSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001020970616 623225165 /nfs/dbraw/zinc/22/51/65/623225165.db2.gz CEAAPDFEPPOJTM-HDJSIYSDSA-N 0 3 308.809 2.227 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001025607175 625639615 /nfs/dbraw/zinc/63/96/15/625639615.db2.gz SJDAPINMRJUCFZ-YOEHRIQHSA-N 0 3 311.429 2.423 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC001021127050 623364464 /nfs/dbraw/zinc/36/44/64/623364464.db2.gz DNEPWCGZIPWKFB-JOCQHMNTSA-N 0 3 307.825 2.356 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2OCC(C)C)C1 ZINC000970285525 623371433 /nfs/dbraw/zinc/37/14/33/623371433.db2.gz OUABHEOSSWKTCP-OAHLLOKOSA-N 0 3 300.402 2.159 20 30 DEEDHN N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)[nH]1 ZINC001021227046 623437087 /nfs/dbraw/zinc/43/70/87/623437087.db2.gz JCXCAFIJGYYZKT-RRUWACFXSA-N 0 3 318.808 2.364 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC000970422134 623448366 /nfs/dbraw/zinc/44/83/66/623448366.db2.gz YQDMUADAFNWMSZ-GFCCVEGCSA-N 0 3 305.447 2.169 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)c(F)c2F)C1 ZINC000970472002 623469530 /nfs/dbraw/zinc/46/95/30/623469530.db2.gz XBYGQSJJOJDOSC-LBPRGKRZSA-N 0 3 306.356 2.347 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC000970497666 623481751 /nfs/dbraw/zinc/48/17/51/623481751.db2.gz UHZGMSVHQIVUCT-CRAIPNDOSA-N 0 3 310.441 2.251 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021385763 623581352 /nfs/dbraw/zinc/58/13/52/623581352.db2.gz BQFCWHOWKHAUJY-HSQPKWNDSA-N 0 3 324.852 2.442 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)n(C)c2C)C1 ZINC001025618282 625656195 /nfs/dbraw/zinc/65/61/95/625656195.db2.gz KLQZHMHFJZTIEJ-DOTOQJQBSA-N 0 3 315.461 2.496 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCO)C2CCCC2)CC1 ZINC000892851538 625664629 /nfs/dbraw/zinc/66/46/29/625664629.db2.gz LMRNQRYWDKDRFG-QGZVFWFLSA-N 0 3 323.481 2.267 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000892851897 625664831 /nfs/dbraw/zinc/66/48/31/625664831.db2.gz RIAFFDITQSIEOC-SJORKVTESA-N 0 3 321.465 2.284 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(F)c2)C1 ZINC001021509654 623690616 /nfs/dbraw/zinc/69/06/16/623690616.db2.gz UNCFVPIUNOJARE-DOTOQJQBSA-N 0 3 300.377 2.385 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2scnc2Cl)C1 ZINC001025623408 625669243 /nfs/dbraw/zinc/66/92/43/625669243.db2.gz CIPWDKNWPBCLNT-GHMZBOCLSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC000970815766 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C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cncnc2C(C)C)C1 ZINC001025625441 625677502 /nfs/dbraw/zinc/67/75/02/625677502.db2.gz STWZMXVTVVVVQV-GJZGRUSLSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001021612588 623833176 /nfs/dbraw/zinc/83/31/76/623833176.db2.gz COHMEAUEJLKKJS-RDTXWAMCSA-N 0 3 322.412 2.123 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2COc3ccccc32)C1 ZINC000970972700 623858345 /nfs/dbraw/zinc/85/83/45/623858345.db2.gz MHMOYZBRNQPZLB-CZUORRHYSA-N 0 3 300.402 2.175 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc3ccccn3c2)C1 ZINC001021681061 623949540 /nfs/dbraw/zinc/94/95/40/623949540.db2.gz DOFUELJUZGYVGG-APWZRJJASA-N 0 3 321.424 2.499 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cscn2)C1 ZINC001021742491 624028621 /nfs/dbraw/zinc/02/86/21/624028621.db2.gz DSIHNIMUQVKQGK-HOCLYGCPSA-N 0 3 317.458 2.022 20 30 DEEDHN COCc1ccc(CN(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1 ZINC000971219973 624072782 /nfs/dbraw/zinc/07/27/82/624072782.db2.gz 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/nfs/dbraw/zinc/18/46/48/624184648.db2.gz QOEUUEWHHHZYHP-AWEZNQCLSA-N 0 3 306.381 2.232 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC000971588445 624190859 /nfs/dbraw/zinc/19/08/59/624190859.db2.gz PIFLXWCBTCHJSI-HIFRSBDPSA-N 0 3 306.381 2.312 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000971585923 624191118 /nfs/dbraw/zinc/19/11/18/624191118.db2.gz UOKYCILBKZFWEV-KRWDZBQOSA-N 0 3 308.385 2.233 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001026745643 625713041 /nfs/dbraw/zinc/71/30/41/625713041.db2.gz FNPSYMOPASYJCY-HNNXBMFYSA-N 0 3 309.413 2.463 20 30 DEEDHN N#CC(C(=O)CCCC(=O)c1ccccc1)C(=O)N1CCCC1 ZINC000892457849 625709628 /nfs/dbraw/zinc/70/96/28/625709628.db2.gz PGNQRMPLXDKIEN-HNNXBMFYSA-N 0 3 312.369 2.371 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OCC=C)cc2)C[C@H]1C ZINC000947460665 624473671 /nfs/dbraw/zinc/47/36/71/624473671.db2.gz WXYYTRZZYQSFMQ-WBVHZDCISA-N 0 3 312.413 2.467 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NCc2cnoc2C)C1 ZINC001022206115 624497848 /nfs/dbraw/zinc/49/78/48/624497848.db2.gz NKVDTHUDGYYZOL-GASCZTMLSA-N 0 3 314.389 2.021 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C[C@H]1C ZINC000947464172 624551167 /nfs/dbraw/zinc/55/11/67/624551167.db2.gz SCQHHGHECCNWJQ-UKRRQHHQSA-N 0 3 304.438 2.407 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001022282585 624551258 /nfs/dbraw/zinc/55/12/58/624551258.db2.gz ZTNXCVMVVFVQCL-DTORHVGOSA-N 0 3 316.739 2.017 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001022287826 624553291 /nfs/dbraw/zinc/55/32/91/624553291.db2.gz RPRHSQXFEOWDTK-TXEJJXNPSA-N 0 3 313.854 2.292 20 30 DEEDHN COc1ccc(F)cc1CN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998745420 634392000 /nfs/dbraw/zinc/39/20/00/634392000.db2.gz IDZAWTWVSRUWBU-DOMZBBRYSA-N 0 3 319.380 2.075 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000998745849 634392916 /nfs/dbraw/zinc/39/29/16/634392916.db2.gz 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ZINC001022653073 624797372 /nfs/dbraw/zinc/79/73/72/624797372.db2.gz HSFCGNZCLDRNAR-TXEJJXNPSA-N 0 3 313.239 2.488 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2C1 ZINC000978750341 634410671 /nfs/dbraw/zinc/41/06/71/634410671.db2.gz HZJKHNDRTYSFJX-ZSOGYDGISA-N 0 3 320.795 2.410 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccnn2C(F)F)C1 ZINC000998830214 634413630 /nfs/dbraw/zinc/41/36/30/634413630.db2.gz XYJHXCJKWZFGJI-UHFFFAOYSA-N 0 3 318.755 2.223 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC001027666323 634414066 /nfs/dbraw/zinc/41/40/66/634414066.db2.gz DNWYNRCAXUVPMS-OAHLLOKOSA-N 0 3 320.820 2.275 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001022737803 624884157 /nfs/dbraw/zinc/88/41/57/624884157.db2.gz KZUGBUOAHDJJSF-DMRZNYOFSA-N 0 3 315.392 2.480 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(OCC)c3)[C@@H]2C1 ZINC000978775502 634418512 /nfs/dbraw/zinc/41/85/12/634418512.db2.gz YVXDNEMHVRJXJX-NNZMDNLPSA-N 0 3 312.413 2.016 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001024761456 625042611 /nfs/dbraw/zinc/04/26/11/625042611.db2.gz GTXASDWURSGSNL-HNNXBMFYSA-N 0 3 316.449 2.308 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1OC ZINC001024771423 625049184 /nfs/dbraw/zinc/04/91/84/625049184.db2.gz GOGBAFYKEQPEQC-HNNXBMFYSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001024809109 625063753 /nfs/dbraw/zinc/06/37/53/625063753.db2.gz NVALCKXJNVCGGB-GOEBONIOSA-N 0 3 316.449 2.061 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)cn2C)C[C@H]1C ZINC000947519347 625078474 /nfs/dbraw/zinc/07/84/74/625078474.db2.gz DYSWVXKWCWIOFP-TZMCWYRMSA-N 0 3 307.825 2.285 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001022966057 625120798 /nfs/dbraw/zinc/12/07/98/625120798.db2.gz AGFRUCJPKBEGIF-BETUJISGSA-N 0 3 310.829 2.375 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001023167935 625175116 /nfs/dbraw/zinc/17/51/16/625175116.db2.gz DRZDLYSOIBAOHW-LEWSCRJBSA-N 0 3 324.856 2.130 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000947662751 625199227 /nfs/dbraw/zinc/19/92/27/625199227.db2.gz MDSGNCZPPTVSJG-BBRMVZONSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001027685214 634441702 /nfs/dbraw/zinc/44/17/02/634441702.db2.gz BTPWKPKNTUAWLS-PBHICJAKSA-N 0 3 302.393 2.485 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CN(CC(C)C)CCO3)C1 ZINC000972542025 625211352 /nfs/dbraw/zinc/21/13/52/625211352.db2.gz FENBKBDJWORUMF-SFHVURJKSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001023368477 625242269 /nfs/dbraw/zinc/24/22/69/625242269.db2.gz PXIBUYWFNLOZFE-CQSZACIVSA-N 0 3 303.406 2.181 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(Cl)cnn2CC)C1 ZINC001023388848 625249929 /nfs/dbraw/zinc/24/99/29/625249929.db2.gz REPXWIRXFAWXFT-ZDUSSCGKSA-N 0 3 322.840 2.022 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnc(C)cn1 ZINC001025194886 625255849 /nfs/dbraw/zinc/25/58/49/625255849.db2.gz HDNHKAYDFHWHRE-IRXDYDNUSA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cnccn1 ZINC001025194175 625255908 /nfs/dbraw/zinc/25/59/08/625255908.db2.gz BMHLCYAALSTFMO-CVEARBPZSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2scnc2CC)C1 ZINC001023406648 625256605 /nfs/dbraw/zinc/25/66/05/625256605.db2.gz PPOLOQOOLMMWON-CYBMUJFWSA-N 0 3 305.447 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001023418296 625261498 /nfs/dbraw/zinc/26/14/98/625261498.db2.gz YCUDRDWHZCFBOD-ZDUSSCGKSA-N 0 3 306.356 2.430 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1O ZINC001025201230 625262445 /nfs/dbraw/zinc/26/24/45/625262445.db2.gz KBGFQTFPYOSUQK-DLBZAZTESA-N 0 3 312.413 2.485 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccnc(F)c1 ZINC001025207423 625264136 /nfs/dbraw/zinc/26/41/36/625264136.db2.gz HZAIVZLJHUMNLR-HOTGVXAUSA-N 0 3 315.392 2.313 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cocn1 ZINC001025208905 625266130 /nfs/dbraw/zinc/26/61/30/625266130.db2.gz FWJIFKMCVBNUBC-JKSUJKDBSA-N 0 3 301.390 2.157 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001023438520 625267669 /nfs/dbraw/zinc/26/76/69/625267669.db2.gz YQOMXHQOKHJHIV-OAHLLOKOSA-N 0 3 323.396 2.417 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001023443488 625269598 /nfs/dbraw/zinc/26/95/98/625269598.db2.gz NNBCRJAZJZHVAF-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)nnc1C ZINC001024459450 625790280 /nfs/dbraw/zinc/79/02/80/625790280.db2.gz SMKNNOCUCURRTD-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001024468418 625794982 /nfs/dbraw/zinc/79/49/82/625794982.db2.gz OSDVWHCWGMVJKG-HOTGVXAUSA-N 0 3 316.449 2.462 20 30 DEEDHN CC#CCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001024482623 625806561 /nfs/dbraw/zinc/80/65/61/625806561.db2.gz HRBLASRBRCEHLW-GFCCVEGCSA-N 0 3 322.840 2.233 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)c3ccccn3)C2)c1 ZINC001019932708 625851587 /nfs/dbraw/zinc/85/15/87/625851587.db2.gz FQMVQLZPIGPDIG-SHTZXODSSA-N 0 3 324.359 2.143 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2CCC(OC)CC2)C1 ZINC001027704364 634461437 /nfs/dbraw/zinc/46/14/37/634461437.db2.gz OPCWTYBPOIJNOV-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001024592991 625915967 /nfs/dbraw/zinc/91/59/67/625915967.db2.gz WZULKQDCBSUTBU-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(OC(C)C)cn2)C1 ZINC001027706627 634467529 /nfs/dbraw/zinc/46/75/29/634467529.db2.gz QKXQOLMRGLBTFY-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN N#CCOc1ccc(CN2CCC[C@H]2CNC(=O)C2CC2)cc1 ZINC001027709572 634474042 /nfs/dbraw/zinc/47/40/42/634474042.db2.gz VYCHTEYBJFJFRX-INIZCTEOSA-N 0 3 313.401 2.080 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(C4CC4)c3)[C@@H]2C1 ZINC000979108773 634503458 /nfs/dbraw/zinc/50/34/58/634503458.db2.gz YGNZGVNOXRWRDX-LDLYASANSA-N 0 3 308.425 2.495 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C34CC(C(C)(C)C)(C3)C4)[C@@H]2C1 ZINC000979116270 634506454 /nfs/dbraw/zinc/50/64/54/634506454.db2.gz NOBOHLBHYDRBEL-ADGCJHLJSA-N 0 3 300.446 2.130 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC000999238367 634527209 /nfs/dbraw/zinc/52/72/09/634527209.db2.gz BUWANINWDYHIMZ-CJIVVXGISA-N 0 3 301.228 2.130 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn3c2CCCC3)C1 ZINC000999648355 634643763 /nfs/dbraw/zinc/64/37/63/634643763.db2.gz CCVWXRDBGDIEOV-UHFFFAOYSA-N 0 3 322.840 2.165 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cc(C)n[nH]3)C[C@H]2C1 ZINC000979507426 634666855 /nfs/dbraw/zinc/66/68/55/634666855.db2.gz UJNNKEYCYZKCBY-IHRRRGAJSA-N 0 3 322.840 2.301 20 30 DEEDHN CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979520609 634673732 /nfs/dbraw/zinc/67/37/32/634673732.db2.gz RUKJYNAROBYFKB-JYJNAYRXSA-N 0 3 312.413 2.246 20 30 DEEDHN CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979520609 634673734 /nfs/dbraw/zinc/67/37/34/634673734.db2.gz RUKJYNAROBYFKB-JYJNAYRXSA-N 0 3 312.413 2.246 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2ccc(OC)nc2)C1 ZINC000999901826 634699712 /nfs/dbraw/zinc/69/97/12/634699712.db2.gz VZHQUEDDMPXBNQ-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)C3CC(OCC)C3)CC2)CC1 ZINC001000135178 634763178 /nfs/dbraw/zinc/76/31/78/634763178.db2.gz VTEXLWSHHSBLJC-UHFFFAOYSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCO[C@@H]3C(C)C)CC2)CC1 ZINC001000172773 634776154 /nfs/dbraw/zinc/77/61/54/634776154.db2.gz POLWUXYJBJOIBC-IAGOWNOFSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cnc(C4CC4)o3)CC2)CC1 ZINC001000178103 634778901 /nfs/dbraw/zinc/77/89/01/634778901.db2.gz MEENJYFMBRURHQ-UHFFFAOYSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001024689275 630691616 /nfs/dbraw/zinc/69/16/16/630691616.db2.gz DJSQQHLWFOJBLW-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000836440474 650091797 /nfs/dbraw/zinc/09/17/97/650091797.db2.gz FHXWLUJCTAJAFE-JKSUJKDBSA-N 0 3 319.836 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000836488934 650097844 /nfs/dbraw/zinc/09/78/44/650097844.db2.gz RPEDSVBLUCYVEC-SFHVURJKSA-N 0 3 303.450 2.473 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC001024722610 632949552 /nfs/dbraw/zinc/94/95/52/632949552.db2.gz XRTWVVZBEZNZKS-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001024739167 632959262 /nfs/dbraw/zinc/95/92/62/632959262.db2.gz XXOALFDKJBXZPH-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)[C@H](C)C1 ZINC000945808359 633005352 /nfs/dbraw/zinc/00/53/52/633005352.db2.gz OLSLXFXDQMWUAF-UKRRQHHQSA-N 0 3 316.449 2.400 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C(C)(C)C)nc2)[C@@H](C)C1 ZINC000945808361 633005422 /nfs/dbraw/zinc/00/54/22/633005422.db2.gz OLSLXFXDQMWUAF-ZFWWWQNUSA-N 0 3 316.449 2.400 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C(C)(C)C1 ZINC000974590081 633161358 /nfs/dbraw/zinc/16/13/58/633161358.db2.gz XVYPXZJKMGCGTQ-ZDUSSCGKSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2c(F)cncc2F)C(C)(C)C1 ZINC000974644378 633201226 /nfs/dbraw/zinc/20/12/26/633201226.db2.gz ODTQTBXVNKFKHK-ZDUSSCGKSA-N 0 3 309.360 2.376 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C(C)(C)C1 ZINC000974682967 633237066 /nfs/dbraw/zinc/23/70/66/633237066.db2.gz ZOMHRPUCFABTMY-LBPRGKRZSA-N 0 3 322.840 2.089 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](C)COC)CC1(C)C ZINC000974693992 633244749 /nfs/dbraw/zinc/24/47/49/633244749.db2.gz YGVPSADMJCHMFL-GDBMZVCRSA-N 0 3 319.449 2.149 20 30 DEEDHN O=C(C#CC1CC1)N1CCC(NCc2nc3ccccc3o2)CC1 ZINC000996383269 633251768 /nfs/dbraw/zinc/25/17/68/633251768.db2.gz IHDCGOJXJBDWBG-UHFFFAOYSA-N 0 3 323.396 2.322 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3ccncc3n2)C(C)(C)C1 ZINC000974847446 633330892 /nfs/dbraw/zinc/33/08/92/633330892.db2.gz XTBSHZGYYHBOTI-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001026995472 633341923 /nfs/dbraw/zinc/34/19/23/633341923.db2.gz MKWDYWXMGSHZHH-BLLLJJGKSA-N 0 3 321.371 2.384 20 30 DEEDHN C#C[C@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000893398813 633351646 /nfs/dbraw/zinc/35/16/46/633351646.db2.gz QUPRDTPJIMHKCN-KRWDZBQOSA-N 0 3 321.465 2.073 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNCc2cc(OC)no2)C1 ZINC001027040886 633373152 /nfs/dbraw/zinc/37/31/52/633373152.db2.gz LSJNRAWKOJKLTM-SUMWQHHRSA-N 0 3 321.421 2.224 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3nccs3)C2)C1 ZINC001027051063 633378242 /nfs/dbraw/zinc/37/82/42/633378242.db2.gz PVEQUKLTUBYTPS-ZDUSSCGKSA-N 0 3 305.447 2.438 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000975112128 633428134 /nfs/dbraw/zinc/42/81/34/633428134.db2.gz QLWUHNHRGFKPFW-IRXDYDNUSA-N 0 3 319.493 2.099 20 30 DEEDHN C#CCNC(=O)CN(CCc1ccc(Cl)cc1)CC1CC1 ZINC000735078784 633463309 /nfs/dbraw/zinc/46/33/09/633463309.db2.gz SXPNFXXOLZAVAI-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN Cc1cnoc1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001027153230 633468385 /nfs/dbraw/zinc/46/83/85/633468385.db2.gz UPGPRKCMKSYBRC-AWEZNQCLSA-N 0 3 324.384 2.107 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996871389 633483424 /nfs/dbraw/zinc/48/34/24/633483424.db2.gz XYFFLOXPWMHJDJ-LBPRGKRZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC000996877454 633487885 /nfs/dbraw/zinc/48/78/85/633487885.db2.gz OZZHXRFOZTZFRY-UHFFFAOYSA-N 0 3 304.438 2.196 20 30 DEEDHN CC[C@H](F)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000996882416 633494654 /nfs/dbraw/zinc/49/46/54/633494654.db2.gz PLNGNECMWSWTAZ-INIZCTEOSA-N 0 3 303.381 2.387 20 30 DEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC(=O)N(C4CC4)C3)nc21 ZINC000735791837 633534743 /nfs/dbraw/zinc/53/47/43/633534743.db2.gz CFGWLJLJGSYOBN-YPMHNXCESA-N 0 3 322.368 2.059 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC000996957103 633538362 /nfs/dbraw/zinc/53/83/62/633538362.db2.gz PTRAAPIBAPZKEI-GOSISDBHSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996952514 633540291 /nfs/dbraw/zinc/54/02/91/633540291.db2.gz BHMFJUVQKYZIBY-QGZVFWFLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996952512 633540297 /nfs/dbraw/zinc/54/02/97/633540297.db2.gz BHMFJUVQKYZIBY-KRWDZBQOSA-N 0 3 304.438 2.103 20 30 DEEDHN COc1ccc(OC)c([C@@H](O)CNCc2csc(C#N)c2)c1 ZINC000921515957 633576086 /nfs/dbraw/zinc/57/60/86/633576086.db2.gz VNGJCSKNHZIETG-HNNXBMFYSA-N 0 3 318.398 2.460 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccncc2CC)CC1 ZINC000997185411 633670770 /nfs/dbraw/zinc/67/07/70/633670770.db2.gz GGWPCHVHDOUFKZ-OAHLLOKOSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccn3nccc23)CC1 ZINC000997203273 633674269 /nfs/dbraw/zinc/67/42/69/633674269.db2.gz NZZBEMMWKJGDCG-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnn(CC)c2C)CC1 ZINC000997361765 633714257 /nfs/dbraw/zinc/71/42/57/633714257.db2.gz HUEKYUGQOCFSLK-CQSZACIVSA-N 0 3 316.449 2.065 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405650 633747966 /nfs/dbraw/zinc/74/79/66/633747966.db2.gz KPYTUWGVOCZHNH-LJQANCHMSA-N 0 3 321.424 2.394 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c[nH]c3ncccc23)CC1 ZINC000997428189 633761251 /nfs/dbraw/zinc/76/12/51/633761251.db2.gz XGPJKCLMULDLNN-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3cccnc32)C1 ZINC001027482090 633866061 /nfs/dbraw/zinc/86/60/61/633866061.db2.gz BKNUVMHEYHNFTP-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c(C)ccn2C)CC1 ZINC000997565641 633876913 /nfs/dbraw/zinc/87/69/13/633876913.db2.gz YCMIJPOLNNLDMO-HNNXBMFYSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C(C)(C)C1 ZINC000977451314 633991503 /nfs/dbraw/zinc/99/15/03/633991503.db2.gz QJNHLUIHUNJYDE-AWEZNQCLSA-N 0 3 316.449 2.171 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cn3ccccc3n2)CC1 ZINC000997855603 634010483 /nfs/dbraw/zinc/01/04/83/634010483.db2.gz CVZIWZQIQLNKHG-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)cc2)C(C)(C)C1 ZINC000977518673 634015210 /nfs/dbraw/zinc/01/52/10/634015210.db2.gz BESQRXKOYXCQSP-MRXNPFEDSA-N 0 3 300.402 2.159 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CNCc2cc(C)ncn2)CC1 ZINC000997969110 634084822 /nfs/dbraw/zinc/08/48/22/634084822.db2.gz WMUGDGSKLCVXSR-UHFFFAOYSA-N 0 3 316.449 2.325 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC001027549763 634096466 /nfs/dbraw/zinc/09/64/66/634096466.db2.gz LXNXUJCLDLMDKE-LLVKDONJSA-N 0 3 310.319 2.274 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998043925 634121025 /nfs/dbraw/zinc/12/10/25/634121025.db2.gz LHMUAJHXXNWBLR-INIZCTEOSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2snnc2CC)CC1 ZINC000998048965 634124554 /nfs/dbraw/zinc/12/45/54/634124554.db2.gz CRLMBLMVIHIGJI-ZDUSSCGKSA-N 0 3 320.462 2.050 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(F)c[nH]2)CC1 ZINC000998073220 634130046 /nfs/dbraw/zinc/13/00/46/634130046.db2.gz UNRPXKZWDNNTFT-HNNXBMFYSA-N 0 3 305.397 2.494 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(F)c[nH]2)CC1 ZINC000998073222 634130231 /nfs/dbraw/zinc/13/02/31/634130231.db2.gz UNRPXKZWDNNTFT-OAHLLOKOSA-N 0 3 305.397 2.494 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ocnc2CC)CC1 ZINC000998114873 634145410 /nfs/dbraw/zinc/14/54/10/634145410.db2.gz GQRZTXYLEQSLHY-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2[nH]cnc2CC)CC1 ZINC000998186890 634163708 /nfs/dbraw/zinc/16/37/08/634163708.db2.gz HTMDEOPYPHQMNE-OAHLLOKOSA-N 0 3 316.449 2.312 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cc(C)no2)CC[C@@H]1C(F)(F)F ZINC000998232981 634180255 /nfs/dbraw/zinc/18/02/55/634180255.db2.gz 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ZINC000980181448 634877459 /nfs/dbraw/zinc/87/74/59/634877459.db2.gz HHFXSUJWZRTSGY-KKUMJFAQSA-N 0 3 320.824 2.059 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001027908340 634936607 /nfs/dbraw/zinc/93/66/07/634936607.db2.gz DHVVJCVJKPGZSH-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001027924990 634979164 /nfs/dbraw/zinc/97/91/64/634979164.db2.gz OYDJRPDZGOVHFC-QZTJIDSGSA-N 0 3 313.445 2.422 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000980383181 634980839 /nfs/dbraw/zinc/98/08/39/634980839.db2.gz REGCUNLZNGLBSW-ZDUSSCGKSA-N 0 3 320.437 2.018 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001027926162 634984173 /nfs/dbraw/zinc/98/41/73/634984173.db2.gz LFNDGQINDIOIQF-CYBMUJFWSA-N 0 3 307.344 2.237 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2C)C1 ZINC000980461703 635007744 /nfs/dbraw/zinc/00/77/44/635007744.db2.gz IGCYYXDYJMNLBZ-CQSZACIVSA-N 0 3 318.417 2.345 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001027937265 635017157 /nfs/dbraw/zinc/01/71/57/635017157.db2.gz JSJCXKYLAACAGO-GFCCVEGCSA-N 0 3 314.389 2.039 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC000980552305 635042060 /nfs/dbraw/zinc/04/20/60/635042060.db2.gz AEVYHUFDDXRJGS-AWEZNQCLSA-N 0 3 302.422 2.106 20 30 DEEDHN Cc1cnc(CNC[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)s1 ZINC000980573688 635048304 /nfs/dbraw/zinc/04/83/04/635048304.db2.gz CSABJGBZGQVHKK-IUODEOHRSA-N 0 3 317.458 2.192 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCCN(CC3CC(F)(F)C3)CC2)c1 ZINC000980917639 635234419 /nfs/dbraw/zinc/23/44/19/635234419.db2.gz UGHQQXGNEZRKDN-UHFFFAOYSA-N 0 3 322.359 2.080 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccnn2C2CCC2)CC1 ZINC001000708095 635283070 /nfs/dbraw/zinc/28/30/70/635283070.db2.gz KUUTYHAXCGFWER-UHFFFAOYSA-N 0 3 300.406 2.156 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC001000939130 635360137 /nfs/dbraw/zinc/36/01/37/635360137.db2.gz NCZARZIEWWEEJP-AEFFLSMTSA-N 0 3 304.434 2.270 20 30 DEEDHN C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2[n-]nc(C3CC3)c2Cl)C1 ZINC000981198692 635361461 /nfs/dbraw/zinc/36/14/61/635361461.db2.gz JWGPZSTZLRYXIA-NWDGAFQWSA-N 0 3 320.824 2.204 20 30 DEEDHN C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2[n-]nc(C3CC3)c2Cl)C1 ZINC000981198690 635361799 /nfs/dbraw/zinc/36/17/99/635361799.db2.gz JWGPZSTZLRYXIA-NEPJUHHUSA-N 0 3 320.824 2.204 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001028047838 635367153 /nfs/dbraw/zinc/36/71/53/635367153.db2.gz JYWLELGEAAVTIE-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC001001021063 635388673 /nfs/dbraw/zinc/38/86/73/635388673.db2.gz KRXXZLZRXPHCNA-UHFFFAOYSA-N 0 3 323.396 2.488 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCc3cccnc32)CC1 ZINC001001078112 635398975 /nfs/dbraw/zinc/39/89/75/635398975.db2.gz XPAKMFRMVOKUEK-KRWDZBQOSA-N 0 3 311.429 2.436 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000837375752 650191906 /nfs/dbraw/zinc/19/19/06/650191906.db2.gz FFRWNJROKPCCEL-HNNXBMFYSA-N 0 3 302.443 2.490 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000921820106 635402575 /nfs/dbraw/zinc/40/25/75/635402575.db2.gz RYAZMLYUABCCEB-NVXWUHKLSA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC001001219533 635429169 /nfs/dbraw/zinc/42/91/69/635429169.db2.gz QZLVQDUOVILVPW-KRWDZBQOSA-N 0 3 316.376 2.064 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028092212 635471335 /nfs/dbraw/zinc/47/13/35/635471335.db2.gz NSTISVQDVNCKJR-HOCLYGCPSA-N 0 3 312.413 2.400 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(C)noc2CCC)CC1 ZINC001001402231 635481055 /nfs/dbraw/zinc/48/10/55/635481055.db2.gz LLWKAUWUXNRKDN-UHFFFAOYSA-N 0 3 317.433 2.401 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccnc2OCC)CC1 ZINC001001415830 635491817 /nfs/dbraw/zinc/49/18/17/635491817.db2.gz BPOPHZOUUCVYGY-UHFFFAOYSA-N 0 3 301.390 2.028 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC001001473677 635505667 /nfs/dbraw/zinc/50/56/67/635505667.db2.gz OITZQLXSITVDDE-IRXDYDNUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccnn2C2CCCC2)CC1 ZINC001001449885 635507887 /nfs/dbraw/zinc/50/78/87/635507887.db2.gz VXFAJBOLEYTDPX-UHFFFAOYSA-N 0 3 314.433 2.073 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC001001448261 635508423 /nfs/dbraw/zinc/50/84/23/635508423.db2.gz FNOXIFAQYUNWPK-UHFFFAOYSA-N 0 3 316.449 2.494 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c(Cl)n[nH]c2C2CC2)CC1 ZINC001001475399 635515703 /nfs/dbraw/zinc/51/57/03/635515703.db2.gz DJIUTLXOUFZNIO-UHFFFAOYSA-N 0 3 320.824 2.016 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCO[C@@H]3CC)C2)C1 ZINC000981806044 635662571 /nfs/dbraw/zinc/66/25/71/635662571.db2.gz HFLOODCJXFLVAJ-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC000981836032 635678533 /nfs/dbraw/zinc/67/85/33/635678533.db2.gz AYWPLYCAHSUUAH-UHFFFAOYSA-N 0 3 305.422 2.065 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C)nnc3CC)C2)C1 ZINC000981853528 635694183 /nfs/dbraw/zinc/69/41/83/635694183.db2.gz OTZJBUOOJKIKJP-UHFFFAOYSA-N 0 3 314.433 2.071 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4ccncc4n3)C2)C1 ZINC000981893976 635715905 /nfs/dbraw/zinc/71/59/05/635715905.db2.gz UTDDDBNGKBOTAT-UHFFFAOYSA-N 0 3 322.412 2.354 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@]34CCO[C@@H]3CCCC4)C2)C1 ZINC000981886968 635716978 /nfs/dbraw/zinc/71/69/78/635716978.db2.gz KKSHZJZZURGLLP-APWZRJJASA-N 0 3 318.461 2.446 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001028177321 635775801 /nfs/dbraw/zinc/77/58/01/635775801.db2.gz CEHQTBVUNPZWIC-AWEZNQCLSA-N 0 3 300.406 2.124 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001028200192 635813823 /nfs/dbraw/zinc/81/38/23/635813823.db2.gz MOVNGSNYGRKIDC-JTQLQIEISA-N 0 3 316.327 2.199 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3snnc3C(C)C)C2)C1 ZINC000982077961 635861888 /nfs/dbraw/zinc/86/18/88/635861888.db2.gz RFLKOFKDRCJXMW-UHFFFAOYSA-N 0 3 320.462 2.386 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000982132688 635885667 /nfs/dbraw/zinc/88/56/67/635885667.db2.gz YUQTYAPCOOTCCV-DLBZAZTESA-N 0 3 314.404 2.487 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C(F)(F)F)no2)CC1 ZINC001003080723 635902535 /nfs/dbraw/zinc/90/25/35/635902535.db2.gz JWWCRVUFRDUBNG-UHFFFAOYSA-N 0 3 303.284 2.074 20 30 DEEDHN C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC000982214241 635909209 /nfs/dbraw/zinc/90/92/09/635909209.db2.gz HKPMJWDRUURXGE-HDICACEKSA-N 0 3 300.402 2.362 20 30 DEEDHN C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC000982214241 635909212 /nfs/dbraw/zinc/90/92/12/635909212.db2.gz HKPMJWDRUURXGE-HDICACEKSA-N 0 3 300.402 2.362 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC(F)(F)F)C[C@]2(C)C1 ZINC000982229416 635915036 /nfs/dbraw/zinc/91/50/36/635915036.db2.gz GQLHCWSKDJOHPP-OKILXGFUSA-N 0 3 302.340 2.133 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@]2(C)C1 ZINC000982250020 635921686 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C#CCN(C(=O)NC/C=C\c1ccccc1)C1CCN(C)CC1 ZINC000918343016 648071530 /nfs/dbraw/zinc/07/15/30/648071530.db2.gz JLMXOVMHDQIQTE-YFHOEESVSA-N 0 3 311.429 2.439 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000920111971 648205066 /nfs/dbraw/zinc/20/50/66/648205066.db2.gz SWOJPZPRIDHGDF-KBPBESRZSA-N 0 3 304.346 2.158 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CC[C@@H](SC)C1)C1CCN(C)CC1 ZINC000920686444 648243020 /nfs/dbraw/zinc/24/30/20/648243020.db2.gz LJNZDPKYJNZZAX-DZGCQCFKSA-N 0 3 309.479 2.010 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(OCC)c2)C[C@H]1C ZINC000948070154 648329372 /nfs/dbraw/zinc/32/93/72/648329372.db2.gz MVNSMVSIYMMVCP-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2C2CC2)C[C@@H]1C ZINC000948082403 648345711 /nfs/dbraw/zinc/34/57/11/648345711.db2.gz CEDIYGZYKGRDLO-JSGCOSHPSA-N 0 3 302.422 2.066 20 30 DEEDHN COc1ccc(CN2CCC[C@@H](N(C)C(C)=O)CC2)cc1C#N ZINC000948108394 648376259 /nfs/dbraw/zinc/37/62/59/648376259.db2.gz CZUUVKMFYWNBFM-QGZVFWFLSA-N 0 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ZINC000942518479 649231247 /nfs/dbraw/zinc/23/12/47/649231247.db2.gz SCENHAOGKRDBEH-ZBFHGGJFSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)[C@@H](C)C1 ZINC000942527939 649234514 /nfs/dbraw/zinc/23/45/14/649234514.db2.gz VHGDVAISHZHKBF-SUMWQHHRSA-N 0 3 320.383 2.276 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(CC)nn(C)c2Cl)C[C@H]1C ZINC000947903730 649252782 /nfs/dbraw/zinc/25/27/82/649252782.db2.gz MTFRDZXBPGUKQG-VXGBXAGGSA-N 0 3 324.856 2.405 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000942589423 649256238 /nfs/dbraw/zinc/25/62/38/649256238.db2.gz YMDQVFVDQRBFDY-MAUKXSAKSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2conc2C2CC2)[C@@H](C)C1 ZINC000942722093 649279770 /nfs/dbraw/zinc/27/97/70/649279770.db2.gz MFUAUMQSENQFTP-SWLSCSKDSA-N 0 3 301.390 2.016 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cnccc3n2)[C@@H](C)C1 ZINC000942939790 649303794 /nfs/dbraw/zinc/30/37/94/649303794.db2.gz QSSPFVFXVOEQQH-ZFWWWQNUSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2noc3c2CCCC3)[C@@H](C)C1 ZINC000942962427 649307637 /nfs/dbraw/zinc/30/76/37/649307637.db2.gz ZSICDICIJHVDBW-GXTWGEPZSA-N 0 3 303.406 2.180 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(OCC)c2)[C@H](C)C1 ZINC000943178014 649346531 /nfs/dbraw/zinc/34/65/31/649346531.db2.gz QRXLNVZFVFYYEK-RHSMWYFYSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)[C@H](C)C1 ZINC000943206914 649349723 /nfs/dbraw/zinc/34/97/23/649349723.db2.gz DAYRSUYOPOFPPQ-VQIMIIECSA-N 0 3 323.440 2.136 20 30 DEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000829789559 649356278 /nfs/dbraw/zinc/35/62/78/649356278.db2.gz XQOTVRLGWZZJKK-HUUCEWRRSA-N 0 3 319.449 2.269 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2csc3cncn32)[C@H](C)C1 ZINC000943289286 649359255 /nfs/dbraw/zinc/35/92/55/649359255.db2.gz PMNIBKBAJJIREJ-VXGBXAGGSA-N 0 3 304.419 2.022 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)[C@H](C)C1 ZINC000943373722 649371910 /nfs/dbraw/zinc/37/19/10/649371910.db2.gz KFKZREOKVAQYAA-DGCLKSJQSA-N 0 3 322.478 2.144 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@H](C)C1 ZINC000943517555 649387602 /nfs/dbraw/zinc/38/76/02/649387602.db2.gz PNPXDZQPSSNACV-CZUORRHYSA-N 0 3 312.417 2.498 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000943519376 649387908 /nfs/dbraw/zinc/38/79/08/649387908.db2.gz XKHAJRZXZLGMAY-GDBMZVCRSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@@H](C)C1 ZINC000943702333 649415465 /nfs/dbraw/zinc/41/54/65/649415465.db2.gz MIMYPFDMEVTZLX-YOEHRIQHSA-N 0 3 307.397 2.308 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC(C)C)n2)[C@H](C)C1 ZINC000943797113 649430125 /nfs/dbraw/zinc/43/01/25/649430125.db2.gz HGFXPPPIHLEEKJ-CABCVRRESA-N 0 3 317.433 2.495 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OC(C)C)n2)[C@@H](C)C1 ZINC000943797116 649430241 /nfs/dbraw/zinc/43/02/41/649430241.db2.gz HGFXPPPIHLEEKJ-LSDHHAIUSA-N 0 3 317.433 2.495 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CC=C)C[C@H]1C ZINC000944061553 649478002 /nfs/dbraw/zinc/47/80/02/649478002.db2.gz FWFGLTLUWKUSSY-HUUCEWRRSA-N 0 3 315.417 2.273 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](C)C1 ZINC000944134178 649487562 /nfs/dbraw/zinc/48/75/62/649487562.db2.gz BFEXAJRKWIKJGK-DOTOQJQBSA-N 0 3 309.413 2.321 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(s2)CCOC3)[C@H](C)C1 ZINC000944214799 649498228 /nfs/dbraw/zinc/49/82/28/649498228.db2.gz NWSCARYZZXLWFB-OCCSQVGLSA-N 0 3 320.458 2.447 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2OC)[C@@H](C)C1 ZINC000944226715 649500367 /nfs/dbraw/zinc/50/03/67/649500367.db2.gz JMKIMJHLAUXBNB-GOEBONIOSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OCC)cc2)[C@@H](C)C1 ZINC000944531933 649530636 /nfs/dbraw/zinc/53/06/36/649530636.db2.gz KQLLQRHKPXMZIM-WMLDXEAASA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000944553008 649533270 /nfs/dbraw/zinc/53/32/70/649533270.db2.gz KYYFPUJPHOVTLM-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000995567053 649549725 /nfs/dbraw/zinc/54/97/25/649549725.db2.gz VPJYLHUSJQNKBJ-ABAIWWIYSA-N 0 3 321.371 2.451 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2sc(C)nc2C)[C@H](C)C1 ZINC000944792126 649567028 /nfs/dbraw/zinc/56/70/28/649567028.db2.gz WUKDHJFRBCDSBE-BXUZGUMPSA-N 0 3 305.447 2.223 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H](C)C1 ZINC000945223806 649631391 /nfs/dbraw/zinc/63/13/91/649631391.db2.gz QQGZFERVMAANNV-MYNMMXSPSA-N 0 3 300.446 2.128 20 30 DEEDHN C[C@H](CC#N)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000832053616 649671991 /nfs/dbraw/zinc/67/19/91/649671991.db2.gz UJKLRLIXZQJFKW-CYBMUJFWSA-N 0 3 315.417 2.304 20 30 DEEDHN C=C(C)[C@@H](CO)N(C)C[C@@H](O)c1ccccc1Br ZINC000832679894 649735238 /nfs/dbraw/zinc/73/52/38/649735238.db2.gz LLCUWJKSGKFUEO-ZIAGYGMSSA-N 0 3 314.223 2.351 20 30 DEEDHN C=C[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC ZINC000834620815 649822998 /nfs/dbraw/zinc/82/29/98/649822998.db2.gz XKXCIBVFKLTIJR-RWMBFGLXSA-N 0 3 312.410 2.092 20 30 DEEDHN N#CC(C(=O)Cc1ccccc1C(F)(F)F)C(=O)NC1CC1 ZINC000105757791 651198664 /nfs/dbraw/zinc/19/86/64/651198664.db2.gz LXXJXNJVKOIRGD-NSHDSACASA-N 0 3 310.275 2.235 20 30 DEEDHN C=C(C)CONC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000845605129 651259365 /nfs/dbraw/zinc/25/93/65/651259365.db2.gz IWJYDZKEEARIKL-HOCLYGCPSA-N 0 3 303.406 2.314 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000848425868 651458304 /nfs/dbraw/zinc/45/83/04/651458304.db2.gz DRPXWBPWEKHYBY-INIZCTEOSA-N 0 3 315.417 2.298 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000848426589 651458559 /nfs/dbraw/zinc/45/85/59/651458559.db2.gz JWTIXAVWXCJDDL-CVEARBPZSA-N 0 3 315.417 2.028 20 30 DEEDHN COc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)ccc1C#N ZINC000855162410 651637123 /nfs/dbraw/zinc/63/71/23/651637123.db2.gz JCZGLCLISRQWPN-CQSZACIVSA-N 0 3 301.390 2.169 20 30 DEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)n1 ZINC000855164647 651638186 /nfs/dbraw/zinc/63/81/86/651638186.db2.gz ONTIPQLWBRLWTG-NSHDSACASA-N 0 3 306.797 2.209 20 30 DEEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597044 651688739 /nfs/dbraw/zinc/68/87/39/651688739.db2.gz QITYJQRWRKHIEL-HOTGVXAUSA-N 0 3 318.465 2.174 20 30 DEEDHN Cc1ccn([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccccc2)n1 ZINC000850760145 651982511 /nfs/dbraw/zinc/98/25/11/651982511.db2.gz QAEVVQVJCCCCEH-DZGCQCFKSA-N 0 3 310.357 2.490 20 30 DEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000850987088 652037040 /nfs/dbraw/zinc/03/70/40/652037040.db2.gz UPQCLXLPWLIGSG-BBRMVZONSA-N 0 3 322.368 2.277 20 30 DEEDHN C#Cc1ccc(CN2CCC([C@@H](O)c3ccnn3C)CC2)cc1 ZINC000857062172 652044357 /nfs/dbraw/zinc/04/43/57/652044357.db2.gz HQZYNUXZWHUIOJ-LJQANCHMSA-N 0 3 309.413 2.347 20 30 DEEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C#N)ccn2)C1 ZINC000857585798 652138601 /nfs/dbraw/zinc/13/86/01/652138601.db2.gz IBKZRMLNUGSIGM-OAHLLOKOSA-N 0 3 306.369 2.086 20 30 DEEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C#N)ccn2)C1 ZINC000857585797 652138722 /nfs/dbraw/zinc/13/87/22/652138722.db2.gz IBKZRMLNUGSIGM-HNNXBMFYSA-N 0 3 306.369 2.086 20 30 DEEDHN C#CCOCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000851716052 652212975 /nfs/dbraw/zinc/21/29/75/652212975.db2.gz FOJSUDGZEPEHEL-UHFFFAOYSA-N 0 3 312.413 2.193 20 30 DEEDHN C=CCOc1c(Cl)cc(CNCC[S@@](C)=O)cc1OC ZINC000858139256 652263663 /nfs/dbraw/zinc/26/36/63/652263663.db2.gz IAOSUWSIQLAUBT-HXUWFJFHSA-N 0 3 317.838 2.382 20 30 DEEDHN C#CC[C@H](COC)NCc1cnc2ccc(Br)cn12 ZINC000858335214 652310473 /nfs/dbraw/zinc/31/04/73/652310473.db2.gz OUXCDUKCCSWEPV-GFCCVEGCSA-N 0 3 322.206 2.225 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000852098023 652337898 /nfs/dbraw/zinc/33/78/98/652337898.db2.gz CQEOXYYSDIODGQ-SFHVURJKSA-N 0 3 302.418 2.435 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OC(C)C)c1 ZINC000852102256 652339858 /nfs/dbraw/zinc/33/98/58/652339858.db2.gz XUBLBVJKMALZEA-SFHVURJKSA-N 0 3 302.418 2.482 20 30 DEEDHN CC(C)[C@@H](NCC(=O)NCCC#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732171 652446176 /nfs/dbraw/zinc/44/61/76/652446176.db2.gz RNNRRBBQMUWNOV-CVEARBPZSA-N 0 3 323.824 2.017 20 30 DEEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000854070742 652637986 /nfs/dbraw/zinc/63/79/86/652637986.db2.gz SEERRCHOZVHOJB-CQSZACIVSA-N 0 3 323.387 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000854094490 652640681 /nfs/dbraw/zinc/64/06/81/652640681.db2.gz SOQXTNNHGKEQNB-UHFFFAOYSA-N 0 3 313.445 2.134 20 30 DEEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)C(=O)NCc1ccccc1 ZINC000111944614 652643717 /nfs/dbraw/zinc/64/37/17/652643717.db2.gz AGVVVCVSWIWWGZ-HOTGVXAUSA-N 0 3 314.385 2.361 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NCc1cccc(F)c1F ZINC001392210142 1156892241 /nfs/dbraw/zinc/89/22/41/1156892241.db2.gz IEQDNTPMUFUJQT-RISCZKNCSA-N 0 3 309.360 2.355 20 30 DEEDHN C=CCn1c([C@H](O)C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001356030541 1152052735 /nfs/dbraw/zinc/05/27/35/1152052735.db2.gz VDXBDLAILPTBSD-RBSFLKMASA-N 0 3 321.469 2.072 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(CC)nn1C)C(C)C ZINC001374438018 1157855380 /nfs/dbraw/zinc/85/53/80/1157855380.db2.gz JFJBLMUERFCRMJ-ZDUSSCGKSA-N 0 3 312.845 2.079 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)CN(C)CCC ZINC001356369174 1152077498 /nfs/dbraw/zinc/07/74/98/1152077498.db2.gz JLGOVBZXDRAWGZ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)NC(=O)CN(CC)CC)CC1 ZINC001356648341 1152099057 /nfs/dbraw/zinc/09/90/57/1152099057.db2.gz XXCNNNFJJZFFAF-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)NCCC#N)c(C)c2)CC1 ZINC000362473470 685375290 /nfs/dbraw/zinc/37/52/90/685375290.db2.gz NLTKZJSOYYQFQF-UHFFFAOYSA-N 0 3 315.421 2.172 20 30 DEEDHN COc1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1C#N ZINC000080235412 683979905 /nfs/dbraw/zinc/97/99/05/683979905.db2.gz NMEJROPONVVJKW-CQSZACIVSA-N 0 3 301.390 2.056 20 30 DEEDHN C#CCN1CCC(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000928701408 693829615 /nfs/dbraw/zinc/82/96/15/693829615.db2.gz WQXBUXXJWRPDLT-UHFFFAOYSA-N 0 3 323.440 2.341 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC000133353279 684218739 /nfs/dbraw/zinc/21/87/39/684218739.db2.gz IKHVVZJRDKYATB-INIZCTEOSA-N 0 3 314.385 2.179 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C)nc1)C2 ZINC001054087676 693837077 /nfs/dbraw/zinc/83/70/77/693837077.db2.gz JCBQFAAYQLTWMH-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1scnc1C)C2 ZINC001054092085 693840716 /nfs/dbraw/zinc/84/07/16/693840716.db2.gz DWSGKNCSHCLXTR-MRXNPFEDSA-N 0 3 303.431 2.013 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)COC1CCCC1)C2 ZINC001054094098 693842061 /nfs/dbraw/zinc/84/20/61/693842061.db2.gz NCHXKNFNFJOXLI-LJQANCHMSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc3cnccc3o1)C2 ZINC001054158932 693865583 /nfs/dbraw/zinc/86/55/83/693865583.db2.gz CYSCUVFJTDTMKV-LJQANCHMSA-N 0 3 323.396 2.389 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c[nH]nc1C(C)C)C2 ZINC001054157200 693866092 /nfs/dbraw/zinc/86/60/92/693866092.db2.gz IEUSEOHFIGGIIV-SFHVURJKSA-N 0 3 314.433 2.094 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ncc(C)cc1C)C2 ZINC001054168030 693868784 /nfs/dbraw/zinc/86/87/84/693868784.db2.gz NZBZFZYOUMKHAN-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@]1(C)C[C@H]3C[C@H]3C1)C2 ZINC001054169104 693869062 /nfs/dbraw/zinc/86/90/62/693869062.db2.gz PHJGYLBDUZVXRY-NBMJBFSESA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1occ3c1CCC3)C2 ZINC001054171054 693869365 /nfs/dbraw/zinc/86/93/65/693869365.db2.gz XYSPSDDUGWGKLC-LJQANCHMSA-N 0 3 312.413 2.330 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc[nH]c1C1CC1)C2 ZINC001054185570 693875160 /nfs/dbraw/zinc/87/51/60/693875160.db2.gz FIWCRERTLBOCEF-LJQANCHMSA-N 0 3 311.429 2.453 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1Cc3ccccc31)C2 ZINC001054187673 693875196 /nfs/dbraw/zinc/87/51/96/693875196.db2.gz XFOZSSFOCGVICH-UYAOXDASSA-N 0 3 308.425 2.274 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ocnc1CC)C2 ZINC001054193725 693876635 /nfs/dbraw/zinc/87/66/35/693876635.db2.gz DLBULYOAPWYFNU-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cccc3c1OCC3)C2 ZINC001054203008 693881695 /nfs/dbraw/zinc/88/16/95/693881695.db2.gz PDRUYVNDPVRQKN-HXUWFJFHSA-N 0 3 324.424 2.183 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCCOC1)C2 ZINC001054220428 693887291 /nfs/dbraw/zinc/88/72/91/693887291.db2.gz DLGUHGSUZCZSMI-MJGOQNOKSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(F)s1)C2 ZINC001054246727 693899164 /nfs/dbraw/zinc/89/91/64/693899164.db2.gz HRGQCVFMQYXOHP-INIZCTEOSA-N 0 3 306.406 2.449 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1OCC#N ZINC000194144032 685058082 /nfs/dbraw/zinc/05/80/82/685058082.db2.gz JRSYPQSGHKNOOZ-AWEZNQCLSA-N 0 3 301.390 2.193 20 30 DEEDHN CCCC(=O)N1C[C@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC001054326746 693932469 /nfs/dbraw/zinc/93/24/69/693932469.db2.gz RNAHZZWZAWKYNP-LRDDRELGSA-N 0 3 303.381 2.434 20 30 DEEDHN C#CCCOC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000859129683 685662465 /nfs/dbraw/zinc/66/24/65/685662465.db2.gz AZCJGFILWPKMMX-QGZVFWFLSA-N 0 3 316.401 2.027 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3cc(OC)ccc32)CC1 ZINC000859250232 685691081 /nfs/dbraw/zinc/69/10/81/685691081.db2.gz HYTGBQCJRVYKRO-SFHVURJKSA-N 0 3 314.429 2.492 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccccn2)C1 ZINC000859290725 685699052 /nfs/dbraw/zinc/69/90/52/685699052.db2.gz BMCKLXPVXPGUIM-SJORKVTESA-N 0 3 323.396 2.182 20 30 DEEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859301952 685701929 /nfs/dbraw/zinc/70/19/29/685701929.db2.gz RQQBDUCIROGKAH-SFHVURJKSA-N 0 3 312.413 2.193 20 30 DEEDHN CC(=O)NC[C@H]1CCCCN1CCCOc1ccc(C#N)cc1 ZINC000860172658 685895835 /nfs/dbraw/zinc/89/58/35/685895835.db2.gz INRFYSNOAVFZIL-QGZVFWFLSA-N 0 3 315.417 2.318 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CC(OC)C1 ZINC000860471473 685930934 /nfs/dbraw/zinc/93/09/34/685930934.db2.gz KUYVKDIHADWNGH-WXRRBKDZSA-N 0 3 316.357 2.158 20 30 DEEDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCc2ccc(C#N)cc2)C1 ZINC000861343999 686049302 /nfs/dbraw/zinc/04/93/02/686049302.db2.gz MGTVKFNBPQTTMP-WMZOPIPTSA-N 0 3 316.401 2.143 20 30 DEEDHN C[C@@]1(CN2CCN(c3ccc(C#N)nc3)CC2)CCCS1 ZINC000862422625 686299013 /nfs/dbraw/zinc/29/90/13/686299013.db2.gz DJBNFEHHKSTYKM-INIZCTEOSA-N 0 3 302.447 2.361 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054633564 694009797 /nfs/dbraw/zinc/00/97/97/694009797.db2.gz ABMRHKMBSNATJR-BZNIZROVSA-N 0 3 317.458 2.110 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(COC)c(OC)c2)CC1 ZINC000863531874 686516033 /nfs/dbraw/zinc/51/60/33/686516033.db2.gz AXMBRHGNESOQLR-UHFFFAOYSA-N 0 3 316.401 2.125 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H]2CC[N@@H+]2C2CCCCC2)c1[O-] ZINC000864344686 686693019 /nfs/dbraw/zinc/69/30/19/686693019.db2.gz FEUWFJHWMTZGQR-YDDPGSGASA-N 0 3 317.433 2.414 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H]2CC[N@H+]2C2CCCCC2)c1[O-] ZINC000864344686 686693021 /nfs/dbraw/zinc/69/30/21/686693021.db2.gz FEUWFJHWMTZGQR-YDDPGSGASA-N 0 3 317.433 2.414 20 30 DEEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1coc(C#N)c1 ZINC000864925251 686887292 /nfs/dbraw/zinc/88/72/92/686887292.db2.gz PLHNNFSPOGHGFP-UHFFFAOYSA-N 0 3 311.385 2.398 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NCc3ccccn3)C2)cc1 ZINC001054961345 694082871 /nfs/dbraw/zinc/08/28/71/694082871.db2.gz HNXSAAGNLFHUAJ-BEFAXECRSA-N 0 3 319.408 2.313 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ccc(OC)nc2)C1 ZINC001054976916 694087538 /nfs/dbraw/zinc/08/75/38/694087538.db2.gz QUXABBSJTXZUJN-HIFRSBDPSA-N 0 3 317.433 2.239 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015795999 687425062 /nfs/dbraw/zinc/42/50/62/687425062.db2.gz UKMCXBGVOISZDA-GJZGRUSLSA-N 0 3 313.873 2.194 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015843541 687439211 /nfs/dbraw/zinc/43/92/11/687439211.db2.gz OQPWRMXPSHSBTI-XLIONFOSSA-N 0 3 310.441 2.494 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2Cl)C1 ZINC001016295443 687584966 /nfs/dbraw/zinc/58/49/66/687584966.db2.gz SOXBEVBERZSXTR-LBPRGKRZSA-N 0 3 310.829 2.245 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001016398840 687612199 /nfs/dbraw/zinc/61/21/99/687612199.db2.gz YDSYPTRINQBELW-QFBILLFUSA-N 0 3 314.429 2.241 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC001016705906 687685891 /nfs/dbraw/zinc/68/58/91/687685891.db2.gz BIZKAPZDTLJSLA-INIZCTEOSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3c2O[C@H](C)C3)CC1 ZINC001016732810 687691928 /nfs/dbraw/zinc/69/19/28/687691928.db2.gz CRBIAQZKMXTPBI-PBHICJAKSA-N 0 3 324.424 2.228 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001016741998 687693749 /nfs/dbraw/zinc/69/37/49/687693749.db2.gz HBVLWLWASJQGPL-INIZCTEOSA-N 0 3 311.429 2.224 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2c(F)cccc2F)CC1 ZINC001016792645 687703790 /nfs/dbraw/zinc/70/37/90/687703790.db2.gz URONAGHQEVSSSH-MRXNPFEDSA-N 0 3 318.367 2.111 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC001016795893 687704376 /nfs/dbraw/zinc/70/43/76/687704376.db2.gz KREAJCMIUKMJAP-CYBMUJFWSA-N 0 3 322.330 2.321 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001016803624 687706305 /nfs/dbraw/zinc/70/63/05/687706305.db2.gz QYJAGLLDNVXQPR-ROUUACIJSA-N 0 3 308.425 2.320 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001016818374 687709630 /nfs/dbraw/zinc/70/96/30/687709630.db2.gz CSTLNEFINIRXFZ-UKRRQHHQSA-N 0 3 302.443 2.456 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2nccc3[nH]ccc32)CC1 ZINC001016829589 687711493 /nfs/dbraw/zinc/71/14/93/687711493.db2.gz IDRNQZTZTIHDJK-MRXNPFEDSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001016830067 687712104 /nfs/dbraw/zinc/71/21/04/687712104.db2.gz PIVCHYLEOKXWIV-INIZCTEOSA-N 0 3 311.429 2.500 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC001016846648 687717443 /nfs/dbraw/zinc/71/74/43/687717443.db2.gz RUKBBIYPPYXGSK-AWEZNQCLSA-N 0 3 322.330 2.321 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC001016877164 687725146 /nfs/dbraw/zinc/72/51/46/687725146.db2.gz JTWIHBDZKCDTNE-FUHWJXTLSA-N 0 3 324.424 2.157 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cccc3[nH]cnc32)CC1 ZINC001016892467 687728014 /nfs/dbraw/zinc/72/80/14/687728014.db2.gz NOLIPKQZLOLEQD-MRXNPFEDSA-N 0 3 322.412 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(OC)c2)CC1 ZINC001016945749 687740653 /nfs/dbraw/zinc/74/06/53/687740653.db2.gz CGJLLPXOVOUPRW-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)Cc2ccccc2F)CC1 ZINC001016954690 687742401 /nfs/dbraw/zinc/74/24/01/687742401.db2.gz FATYCEJUDXKQBM-QGZVFWFLSA-N 0 3 314.404 2.362 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(OCC)cc2)CC1 ZINC001016956458 687742512 /nfs/dbraw/zinc/74/25/12/687742512.db2.gz UBPWYVOBEUGXFC-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2c(C)onc2CC)CC1 ZINC001016966635 687745176 /nfs/dbraw/zinc/74/51/76/687745176.db2.gz AZRYBTJOFMTJNS-HNNXBMFYSA-N 0 3 315.417 2.153 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC001016990651 687751027 /nfs/dbraw/zinc/75/10/27/687751027.db2.gz PGJIHVNLBBVMFS-UYAOXDASSA-N 0 3 322.452 2.494 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)on1 ZINC001017422171 687884750 /nfs/dbraw/zinc/88/47/50/687884750.db2.gz OPFNVFNUTUTDBA-IYBDPMFKSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCSC2)CC1 ZINC000868221872 687952905 /nfs/dbraw/zinc/95/29/05/687952905.db2.gz NKKBTDLJBUUHIT-AWEZNQCLSA-N 0 3 311.495 2.469 20 30 DEEDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)[C@H]2C1 ZINC000930434309 694161909 /nfs/dbraw/zinc/16/19/09/694161909.db2.gz PQKJHSIXTRZBTF-RISCZKNCSA-N 0 3 304.781 2.379 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1ccnc1 ZINC001018009010 688027135 /nfs/dbraw/zinc/02/71/35/688027135.db2.gz QRULKZJLUFSZHR-ZACQAIPSSA-N 0 3 316.449 2.476 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001018152976 688064007 /nfs/dbraw/zinc/06/40/07/688064007.db2.gz RTBFUILYCMFJLT-UIBIWLFHSA-N 0 3 304.434 2.054 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC000868581803 688066603 /nfs/dbraw/zinc/06/66/03/688066603.db2.gz UWLZDWSUSHIYID-HNNXBMFYSA-N 0 3 304.409 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 ZINC000868582034 688067075 /nfs/dbraw/zinc/06/70/75/688067075.db2.gz QKIUGONHYOUUJN-UHFFFAOYSA-N 0 3 324.428 2.080 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)n[nH]c1C ZINC001018254470 688094155 /nfs/dbraw/zinc/09/41/55/688094155.db2.gz QJUMWBPGGLORCS-IYBDPMFKSA-N 0 3 316.449 2.210 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nccs1 ZINC001018287310 688102280 /nfs/dbraw/zinc/10/22/80/688102280.db2.gz XOGLCDSFEKPCBD-OKILXGFUSA-N 0 3 305.447 2.327 20 30 DEEDHN Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001018632557 688189547 /nfs/dbraw/zinc/18/95/47/688189547.db2.gz OFBHRISTLZLNHZ-OLZOCXBDSA-N 0 3 305.809 2.499 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001018633061 688189603 /nfs/dbraw/zinc/18/96/03/688189603.db2.gz SSWJKQWYSICDSI-RISCZKNCSA-N 0 3 321.808 2.199 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CC=CC3)C2)s1 ZINC001018654986 688196553 /nfs/dbraw/zinc/19/65/53/688196553.db2.gz XFGLWWLYXRCKGI-ZDUSSCGKSA-N 0 3 301.415 2.276 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000930514825 694180220 /nfs/dbraw/zinc/18/02/20/694180220.db2.gz OZGAUNAWOWAUDZ-UHFFFAOYSA-N 0 3 316.449 2.446 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001019041345 688275351 /nfs/dbraw/zinc/27/53/51/688275351.db2.gz OURWSMMYHUIZKA-XQQFMLRXSA-N 0 3 302.340 2.179 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001019246405 688307286 /nfs/dbraw/zinc/30/72/86/688307286.db2.gz IUEKQOKXIQPBEZ-KBPBESRZSA-N 0 3 307.344 2.136 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001019408655 688349159 /nfs/dbraw/zinc/34/91/59/688349159.db2.gz NMLZMLMWBQLEKN-VNQPRFMTSA-N 0 3 315.392 2.434 20 30 DEEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000930599260 694197697 /nfs/dbraw/zinc/19/76/97/694197697.db2.gz WHYMLVQTXXZAIH-HOTGVXAUSA-N 0 3 305.809 2.117 20 30 DEEDHN Cc1cc(C(C#N)C(=O)C=CCOC2CCOCC2)nc(C)n1 ZINC000870136191 688494524 /nfs/dbraw/zinc/49/45/24/688494524.db2.gz JNXBSKMEOQKOOP-JZIMQPMSSA-N 0 3 315.373 2.022 20 30 DEEDHN N#CC(C(=O)C[C@H]1Cc2ccccc2O1)C(=O)NC1CCCC1 ZINC000870159952 688501986 /nfs/dbraw/zinc/50/19/86/688501986.db2.gz UTKDBNSZRVSFNE-CABCVRRESA-N 0 3 312.369 2.148 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028156873 688533774 /nfs/dbraw/zinc/53/37/74/688533774.db2.gz UVUKBUZJNQCMGQ-GFCCVEGCSA-N 0 3 310.319 2.321 20 30 DEEDHN Cc1ccccc1CN1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619129 688964918 /nfs/dbraw/zinc/96/49/18/688964918.db2.gz LEMUONQDBFMVIA-UHFFFAOYSA-N 0 3 308.385 2.057 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001031879214 689012975 /nfs/dbraw/zinc/01/29/75/689012975.db2.gz KRWDPAASIAUUFA-UHFFFAOYSA-N 0 3 310.829 2.355 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001031881454 689013260 /nfs/dbraw/zinc/01/32/60/689013260.db2.gz KOUZOCFCLVIZIH-UHFFFAOYSA-N 0 3 309.413 2.470 20 30 DEEDHN C=C1CCC(C(=O)NCC2CN(C[C@H]3CCCCO3)C2)CC1 ZINC001031951497 689028137 /nfs/dbraw/zinc/02/81/37/689028137.db2.gz JNFCLRUAIRWMEW-QGZVFWFLSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001032038830 689047564 /nfs/dbraw/zinc/04/75/64/689047564.db2.gz MJZBEDILBZNFFF-HUUCEWRRSA-N 0 3 302.443 2.231 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001032094855 689061647 /nfs/dbraw/zinc/06/16/47/689061647.db2.gz QAQNISVNJZPNAX-UHFFFAOYSA-N 0 3 309.413 2.470 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001032101557 689062904 /nfs/dbraw/zinc/06/29/04/689062904.db2.gz GPCHEBRVJAHHEW-UHFFFAOYSA-N 0 3 313.426 2.290 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000872960517 689129295 /nfs/dbraw/zinc/12/92/95/689129295.db2.gz IDISZXSIAHDEEH-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)nn1C ZINC001032429605 689148896 /nfs/dbraw/zinc/14/88/96/689148896.db2.gz CAZYRMZIVMPJIO-GJZGRUSLSA-N 0 3 314.433 2.162 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1 ZINC001032561851 689186435 /nfs/dbraw/zinc/18/64/35/689186435.db2.gz DMTJVBOIUNTAPW-HOTGVXAUSA-N 0 3 306.450 2.300 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)C2)c1 ZINC001032617294 689203373 /nfs/dbraw/zinc/20/33/73/689203373.db2.gz UXYRQHPWCVAHLB-MZQWUDBDSA-N 0 3 309.413 2.008 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnn2CC(C)C)C1 ZINC001033121717 689395683 /nfs/dbraw/zinc/39/56/83/689395683.db2.gz JXPZXQCAISARSC-HNNXBMFYSA-N 0 3 304.438 2.262 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001033218221 689428449 /nfs/dbraw/zinc/42/84/49/689428449.db2.gz VCBLBYALYBDENA-HOCLYGCPSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc3ccc(C)cn23)C1 ZINC001033259537 689441809 /nfs/dbraw/zinc/44/18/09/689441809.db2.gz LBXWZDUKLXMMKZ-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc3cnccc3c2)C1 ZINC001033266036 689444531 /nfs/dbraw/zinc/44/45/31/689444531.db2.gz OTQXNMWEMNQRAZ-MRXNPFEDSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc3ccsc3[nH]2)C1 ZINC001033314727 689458705 /nfs/dbraw/zinc/45/87/05/689458705.db2.gz DWJLNUMMXUAMLV-CYBMUJFWSA-N 0 3 301.415 2.399 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033353044 689473905 /nfs/dbraw/zinc/47/39/05/689473905.db2.gz DALYRHGFLBZRBL-DLBZAZTESA-N 0 3 311.429 2.058 20 30 DEEDHN CCOC(=O)c1c[nH]nc1[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000931010589 694293712 /nfs/dbraw/zinc/29/37/12/694293712.db2.gz REQYGVDMJGTODO-YNEHKIRRSA-N 0 3 302.378 2.068 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3c2OCC3)C1 ZINC001033450266 689503598 /nfs/dbraw/zinc/50/35/98/689503598.db2.gz VLOBOLDAZSACQT-HNNXBMFYSA-N 0 3 300.402 2.344 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000874830492 689504973 /nfs/dbraw/zinc/50/49/73/689504973.db2.gz ROLMJEZZJMGSHY-KZNAEPCWSA-N 0 3 311.429 2.454 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2F)C1 ZINC001033459037 689507132 /nfs/dbraw/zinc/50/71/32/689507132.db2.gz WLPLMUBZRKQBOM-CQSZACIVSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001033539431 689536111 /nfs/dbraw/zinc/53/61/11/689536111.db2.gz FXUOKYAZBQGZAZ-CQSZACIVSA-N 0 3 301.390 2.030 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001033567911 689545963 /nfs/dbraw/zinc/54/59/63/689545963.db2.gz BPBJDMZFOPCGDQ-AWEZNQCLSA-N 0 3 321.396 2.152 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001033605007 689557299 /nfs/dbraw/zinc/55/72/99/689557299.db2.gz VHIBXHPANOAFNR-AEFFLSMTSA-N 0 3 314.429 2.409 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3nccnc3c2)C1 ZINC001033643020 689570301 /nfs/dbraw/zinc/57/03/01/689570301.db2.gz SANLXYPSJJLZSA-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC001033686500 689584577 /nfs/dbraw/zinc/58/45/77/689584577.db2.gz PPDUVZZDDRNJSW-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033695652 689586644 /nfs/dbraw/zinc/58/66/44/689586644.db2.gz DWFREJNRJLFBIX-AWEZNQCLSA-N 0 3 311.385 2.306 20 30 DEEDHN N#Cc1cccc(C2(NCc3ccc(N)nc3)CCOCC2)c1 ZINC000931021228 694296203 /nfs/dbraw/zinc/29/62/03/694296203.db2.gz GKPUUAIWJUEMJS-UHFFFAOYSA-N 0 3 308.385 2.331 20 30 DEEDHN CCCCCCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000875473745 689632148 /nfs/dbraw/zinc/63/21/48/689632148.db2.gz CTPWNYOZLJGIPR-AWEZNQCLSA-N 0 3 311.470 2.062 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001033876392 689647061 /nfs/dbraw/zinc/64/70/61/689647061.db2.gz ATYWJYKUTXGYHU-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc3ncn(C)c32)C1 ZINC001033876871 689647283 /nfs/dbraw/zinc/64/72/83/689647283.db2.gz FISUOWIBTUSICN-HNNXBMFYSA-N 0 3 324.428 2.133 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc3ncn(C)c32)C1 ZINC001033876873 689647333 /nfs/dbraw/zinc/64/73/33/689647333.db2.gz FISUOWIBTUSICN-OAHLLOKOSA-N 0 3 324.428 2.133 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001033877676 689648343 /nfs/dbraw/zinc/64/83/43/689648343.db2.gz CORPUFTZMUCEPM-HZPDHXFCSA-N 0 3 316.449 2.259 20 30 DEEDHN C#CCN1CC[C@@H](N(CC)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001033888594 689652101 /nfs/dbraw/zinc/65/21/01/689652101.db2.gz CTWCAYLQKRZLRY-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CC[C@H](COC)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000875576403 689652751 /nfs/dbraw/zinc/65/27/51/689652751.db2.gz XACSHAUWEQBHQT-KFWWJZLASA-N 0 3 321.421 2.046 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC001033895233 689653859 /nfs/dbraw/zinc/65/38/59/689653859.db2.gz FPLRNHZLGCIVCN-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3nonc3c2)C1 ZINC001033944906 689669625 /nfs/dbraw/zinc/66/96/25/689669625.db2.gz VCCQGVXJIUPISV-AWEZNQCLSA-N 0 3 314.389 2.335 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001034017252 689694602 /nfs/dbraw/zinc/69/46/02/689694602.db2.gz QPZNDOOMWWPPSF-INIZCTEOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034026186 689697555 /nfs/dbraw/zinc/69/75/55/689697555.db2.gz QBGSTQHPSXUQEH-SJORKVTESA-N 0 3 313.445 2.295 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001034232304 689773599 /nfs/dbraw/zinc/77/35/99/689773599.db2.gz VIVNQKYZOHPJMA-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2nccc3cccnc32)C1 ZINC001034254337 689783286 /nfs/dbraw/zinc/78/32/86/689783286.db2.gz PRLUHQGVCNEBSX-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001034297901 689799792 /nfs/dbraw/zinc/79/97/92/689799792.db2.gz VRLCXMPNKCXENE-ZDUSSCGKSA-N 0 3 324.856 2.081 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001034338057 689814708 /nfs/dbraw/zinc/81/47/08/689814708.db2.gz LBJUCCHJXCDFFT-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001034362100 689822397 /nfs/dbraw/zinc/82/23/97/689822397.db2.gz YOVXJSLWYMGTTL-GOEBONIOSA-N 0 3 302.422 2.127 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC001034383737 689829838 /nfs/dbraw/zinc/82/98/38/689829838.db2.gz XAJSUCJLWWJNNT-AWEZNQCLSA-N 0 3 314.389 2.383 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001034420034 689843237 /nfs/dbraw/zinc/84/32/37/689843237.db2.gz GLLQPWMPJSEELX-AWEZNQCLSA-N 0 3 310.829 2.083 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000876563366 689858023 /nfs/dbraw/zinc/85/80/23/689858023.db2.gz FARYXLSYSXMRGT-JOYOIKCWSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000876573108 689861496 /nfs/dbraw/zinc/86/14/96/689861496.db2.gz MMTJBIBXTTYQJX-HOTGVXAUSA-N 0 3 322.836 2.429 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1OC(F)F ZINC000876572736 689861730 /nfs/dbraw/zinc/86/17/30/689861730.db2.gz HHHGUSPUMQAENK-JTQLQIEISA-N 0 3 304.724 2.374 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000876573496 689862469 /nfs/dbraw/zinc/86/24/69/689862469.db2.gz SKZPSUYKFOEGOS-CYBMUJFWSA-N 0 3 307.781 2.444 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001034481384 689867132 /nfs/dbraw/zinc/86/71/32/689867132.db2.gz TYOZNAPKPMNQRO-QGZVFWFLSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOCCc1ccccc1 ZINC000876608720 689874702 /nfs/dbraw/zinc/87/47/02/689874702.db2.gz DBWCKTXCTBWKQA-OAHLLOKOSA-N 0 3 310.825 2.222 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nc2ccccc2n1CC ZINC000876629112 689881991 /nfs/dbraw/zinc/88/19/91/689881991.db2.gz OVEPDNPXCGJYGV-NSHDSACASA-N 0 3 306.797 2.142 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000876646835 689887940 /nfs/dbraw/zinc/88/79/40/689887940.db2.gz YDFZAPDNQHLNIP-KBPBESRZSA-N 0 3 312.772 2.196 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001034540745 689892077 /nfs/dbraw/zinc/89/20/77/689892077.db2.gz KDMFWPJRSZSPKU-HNNXBMFYSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001034544951 689894629 /nfs/dbraw/zinc/89/46/29/689894629.db2.gz WNYWZTQNINGPLL-CYBMUJFWSA-N 0 3 321.446 2.007 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(CC)n(C)n2)C1 ZINC001034552148 689896373 /nfs/dbraw/zinc/89/63/73/689896373.db2.gz YZDFROYCRMZSPT-CQSZACIVSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000876682559 689900797 /nfs/dbraw/zinc/90/07/97/689900797.db2.gz JVETUBKLHIQQFD-GXFFZTMASA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000876688105 689903298 /nfs/dbraw/zinc/90/32/98/689903298.db2.gz URQDUJANJPEDGB-RYUDHWBXSA-N 0 3 310.781 2.263 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCN(CC)c1cccc(C)c1 ZINC000876709700 689911773 /nfs/dbraw/zinc/91/17/73/689911773.db2.gz YITIANRKEADSNV-OAHLLOKOSA-N 0 3 309.841 2.407 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000876730142 689918164 /nfs/dbraw/zinc/91/81/64/689918164.db2.gz DIYHWIWHSHHFEP-AWEZNQCLSA-N 0 3 323.824 2.240 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000876730790 689919043 /nfs/dbraw/zinc/91/90/43/689919043.db2.gz MJXUVGMESCMTME-JSGCOSHPSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000876875994 689961472 /nfs/dbraw/zinc/96/14/72/689961472.db2.gz HCZUHUNEYNSIHT-LSDHHAIUSA-N 0 3 323.824 2.059 20 30 DEEDHN CC(C)CN1CCO[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000876880457 689962193 /nfs/dbraw/zinc/96/21/93/689962193.db2.gz JLWSOGBJQOZLJO-OAHLLOKOSA-N 0 3 322.840 2.053 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000876883131 689963656 /nfs/dbraw/zinc/96/36/56/689963656.db2.gz ZZRJQNATUXCOHE-CQSZACIVSA-N 0 3 318.808 2.173 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000876967933 689985566 /nfs/dbraw/zinc/98/55/66/689985566.db2.gz NIPMVCZUXHGMPH-SOUVJXGZSA-N 0 3 308.809 2.145 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000876970139 689986090 /nfs/dbraw/zinc/98/60/90/689986090.db2.gz JTGGZRXSYJIHGJ-ZIAGYGMSSA-N 0 3 312.772 2.196 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001034935386 689995584 /nfs/dbraw/zinc/99/55/84/689995584.db2.gz OZNDAAFNYIDAPM-MRXNPFEDSA-N 0 3 318.367 2.459 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2CNCc2ccccn2)cc1 ZINC001035006684 690007904 /nfs/dbraw/zinc/00/79/04/690007904.db2.gz FUJKLHWSPPCEMY-LJQANCHMSA-N 0 3 319.408 2.457 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001035015207 690010066 /nfs/dbraw/zinc/01/00/66/690010066.db2.gz XGSAIXULKJLLOZ-OAHLLOKOSA-N 0 3 302.422 2.078 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccc(OC)nc1 ZINC001035014843 690010117 /nfs/dbraw/zinc/01/01/17/690010117.db2.gz RUPCBEMFVVIUJH-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000877134643 690026324 /nfs/dbraw/zinc/02/63/24/690026324.db2.gz WJWPJPXLUHFBPC-LLVKDONJSA-N 0 3 311.813 2.171 20 30 DEEDHN CN(CCc1cccc(C#N)c1)C(=O)C1(N)Cc2ccccc2C1 ZINC000877223907 690049785 /nfs/dbraw/zinc/04/97/85/690049785.db2.gz QHICPMJOJITBNM-UHFFFAOYSA-N 0 3 319.408 2.055 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001035708254 690157216 /nfs/dbraw/zinc/15/72/16/690157216.db2.gz XKWFIGKMMAYTDF-SJORKVTESA-N 0 3 318.461 2.468 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]1OC)CC2 ZINC001035737482 690164494 /nfs/dbraw/zinc/16/44/94/690164494.db2.gz INKACCDUGVMDMR-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](OC)C1)CC2 ZINC001035779803 690174534 /nfs/dbraw/zinc/17/45/34/690174534.db2.gz SMSGLSONFCQWAR-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)CC2 ZINC001035852325 690193563 /nfs/dbraw/zinc/19/35/63/690193563.db2.gz ARUFWBMRTWPFGD-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(CC[C@H]2CCOC2)CC1 ZINC000877747058 690213732 /nfs/dbraw/zinc/21/37/32/690213732.db2.gz UIBOBSWKBMPVRZ-AWEZNQCLSA-N 0 3 303.381 2.246 20 30 DEEDHN CCOC(=O)c1cccc(CN[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000877766579 690220064 /nfs/dbraw/zinc/22/00/64/690220064.db2.gz FWWVPVMCSWZVDK-KRWDZBQOSA-N 0 3 321.380 2.387 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)NCc2nccn2C)C1 ZINC001036439898 690350938 /nfs/dbraw/zinc/35/09/38/690350938.db2.gz MHJSAZYQKPLYBP-GJZGRUSLSA-N 0 3 318.465 2.349 20 30 DEEDHN COc1ccc(CN2CC[C@@H]3CN(C(C)=O)CC[C@H]32)cc1C#N ZINC001036605262 690396046 /nfs/dbraw/zinc/39/60/46/690396046.db2.gz QSALJDYDSCSURH-NVXWUHKLSA-N 0 3 313.401 2.010 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@H]2CN(C(=O)C3CC3)CC[C@@H]21 ZINC001036614757 690402848 /nfs/dbraw/zinc/40/28/48/690402848.db2.gz ZZJGFNBSDKVUPR-ROUUACIJSA-N 0 3 309.413 2.391 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H]2[C@H](CCN2CCF)C1 ZINC001036737707 690453493 /nfs/dbraw/zinc/45/34/93/690453493.db2.gz VJRLBRNYDQQSIF-CABCVRRESA-N 0 3 305.397 2.180 20 30 DEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878803169 690503130 /nfs/dbraw/zinc/50/31/30/690503130.db2.gz XRTAFWBCEMFQNK-WNRNVDISSA-N 0 3 300.402 2.481 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)[C@H](CO)C1)c1ccccc1 ZINC000879021126 690551348 /nfs/dbraw/zinc/55/13/48/690551348.db2.gz RDASZCZJAZZVIW-HHXXYDBFSA-N 0 3 314.429 2.377 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000879113925 690570609 /nfs/dbraw/zinc/57/06/09/690570609.db2.gz DNTNLQYCQDRIOG-MFKMUULPSA-N 0 3 302.296 2.257 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2nccn2C)[C@H](CC)C1 ZINC001037906512 690638232 /nfs/dbraw/zinc/63/82/32/690638232.db2.gz RQGYVHVAMWCUEB-CABCVRRESA-N 0 3 318.465 2.349 20 30 DEEDHN CO[C@@H]1CC[C@@H](N2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000879591027 690682549 /nfs/dbraw/zinc/68/25/49/690682549.db2.gz OVZARNRLGPYVBC-HZPDHXFCSA-N 0 3 303.381 2.387 20 30 DEEDHN COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(C)[C@@H](C(C)C)C1 ZINC000879600856 690684833 /nfs/dbraw/zinc/68/48/33/690684833.db2.gz HGDLCUMIGXVOGY-IAGOWNOFSA-N 0 3 315.417 2.044 20 30 DEEDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000879653780 690699799 /nfs/dbraw/zinc/69/97/99/690699799.db2.gz WSTOZUFPCJDIMH-DZGCQCFKSA-N 0 3 312.369 2.354 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001038339048 690786314 /nfs/dbraw/zinc/78/63/14/690786314.db2.gz FDJSLWCZDIRLGD-HNNXBMFYSA-N 0 3 315.417 2.435 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038363083 690795723 /nfs/dbraw/zinc/79/57/23/690795723.db2.gz ULRZXLXKRIHBFA-GFCCVEGCSA-N 0 3 314.389 2.039 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038852646 690945242 /nfs/dbraw/zinc/94/52/42/690945242.db2.gz AQJJSHGCCZMMHY-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2CCO[C@H](C(F)F)CC2)cc1 ZINC000931475482 694406975 /nfs/dbraw/zinc/40/69/75/694406975.db2.gz GWJIBWASZLTTBK-HNNXBMFYSA-N 0 3 322.355 2.353 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001038879679 690953984 /nfs/dbraw/zinc/95/39/84/690953984.db2.gz XHALSBCQHWXDCB-INIZCTEOSA-N 0 3 310.401 2.457 20 30 DEEDHN COc1ccc(NC(=O)NCCN2CCCCC2)cc1C#N ZINC000880875513 690986963 /nfs/dbraw/zinc/98/69/63/690986963.db2.gz UBOXDXPRTLVAHF-UHFFFAOYSA-N 0 3 302.378 2.174 20 30 DEEDHN CCN1CCCN(C(=O)Nc2ccc(OC)c(C#N)c2)CC1 ZINC000880875771 690987010 /nfs/dbraw/zinc/98/70/10/690987010.db2.gz CPCBYMYWCMGVOI-UHFFFAOYSA-N 0 3 302.378 2.126 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001039039865 691000708 /nfs/dbraw/zinc/00/07/08/691000708.db2.gz PNLCWBSJROXDQB-ZBFHGGJFSA-N 0 3 318.392 2.286 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001039083742 691012504 /nfs/dbraw/zinc/01/25/04/691012504.db2.gz DAYHRVPZDWYMSZ-GDBMZVCRSA-N 0 3 300.402 2.319 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc(C)n2)C1 ZINC001039184573 691042143 /nfs/dbraw/zinc/04/21/43/691042143.db2.gz CVFIJXVKBCDLQD-FUHWJXTLSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cnc(C)s2)C1 ZINC001039209627 691055129 /nfs/dbraw/zinc/05/51/29/691055129.db2.gz TYRZRXAUUWFTFP-CABCVRRESA-N 0 3 317.458 2.401 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2conc2C)C1 ZINC001039227050 691061437 /nfs/dbraw/zinc/06/14/37/691061437.db2.gz BKJYCJYNVVQAPO-RDJZCZTQSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cnoc2CC)C1 ZINC001039233294 691062994 /nfs/dbraw/zinc/06/29/94/691062994.db2.gz AKWFIWFGRCTEAT-HOCLYGCPSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ocnc2CC)C1 ZINC001039234977 691063399 /nfs/dbraw/zinc/06/33/99/691063399.db2.gz UPKKXDORDUIPKR-HOCLYGCPSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2nccs2)C1 ZINC001039241155 691065956 /nfs/dbraw/zinc/06/59/56/691065956.db2.gz YRCLKEDSJBGYBP-KBPBESRZSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Cl)no2)C1 ZINC001039257111 691070912 /nfs/dbraw/zinc/07/09/12/691070912.db2.gz QCJWUFHLLLTJLA-OLZOCXBDSA-N 0 3 321.808 2.278 20 30 DEEDHN C=C(C)CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C ZINC001039329031 691082655 /nfs/dbraw/zinc/08/26/55/691082655.db2.gz OYKGJFTVGYICBR-KGLIPLIRSA-N 0 3 320.462 2.492 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001039366978 691090332 /nfs/dbraw/zinc/09/03/32/691090332.db2.gz JIMPNCLYTRASAK-GMRIPVOYSA-N 0 3 306.450 2.179 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001039410037 691100142 /nfs/dbraw/zinc/10/01/42/691100142.db2.gz PENAUENWCAMAGI-OIISXLGYSA-N 0 3 316.449 2.165 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001039430971 691104805 /nfs/dbraw/zinc/10/48/05/691104805.db2.gz DFRSONQMEUAOCB-OLZOCXBDSA-N 0 3 305.809 2.370 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)n[nH]c1C ZINC001039453262 691109726 /nfs/dbraw/zinc/10/97/26/691109726.db2.gz QNHFJOCKNIPCRG-CABCVRRESA-N 0 3 302.422 2.282 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)C)c1 ZINC001039459732 691110682 /nfs/dbraw/zinc/11/06/82/691110682.db2.gz KKTOUQQBQBIDIQ-SJORKVTESA-N 0 3 314.433 2.166 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039922536 691164156 /nfs/dbraw/zinc/16/41/56/691164156.db2.gz CVRHEVXAZKKUKJ-TWMKSMIVSA-N 0 3 304.434 2.053 20 30 DEEDHN C#CCC1(NC(=O)Nc2ccnn2CCN(C)C)CCCCC1 ZINC000931566939 694430342 /nfs/dbraw/zinc/43/03/42/694430342.db2.gz JFIBDNNCWBJOTA-UHFFFAOYSA-N 0 3 317.437 2.292 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)cc(C)n3)C2)C1 ZINC001040270965 691223741 /nfs/dbraw/zinc/22/37/41/691223741.db2.gz PJHPZGQCJIPYBF-LJQANCHMSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ncc(C)cc3C)C2)C1 ZINC001040306899 691228048 /nfs/dbraw/zinc/22/80/48/691228048.db2.gz JRUMFGKBGJVWBB-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCCOC3)C2)C1 ZINC001040472729 691252942 /nfs/dbraw/zinc/25/29/42/691252942.db2.gz BTVSMTWIBBXJQX-IEBWSBKVSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3c[nH]c4cccnc34)C2)C1 ZINC001040492754 691255744 /nfs/dbraw/zinc/25/57/44/691255744.db2.gz FVFREDSCXDTMPO-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)Cc3ccccc3F)C2)C1 ZINC001040517151 691260505 /nfs/dbraw/zinc/26/05/05/691260505.db2.gz ZSKMHOAZBPHZIF-LJQANCHMSA-N 0 3 314.404 2.316 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C2)CC1 ZINC001040689279 691279402 /nfs/dbraw/zinc/27/94/02/691279402.db2.gz YDJRHVGBQRXSSH-KBPBESRZSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cc(C)oc3C)C2)C1 ZINC001041065197 691319567 /nfs/dbraw/zinc/31/95/67/691319567.db2.gz ZKNJCNSZTSAEEJ-GOSISDBHSA-N 0 3 300.402 2.458 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3csnc3C)C2)C1 ZINC001041214141 691344245 /nfs/dbraw/zinc/34/42/45/691344245.db2.gz DNPHYSJQBGSBTI-MRXNPFEDSA-N 0 3 303.431 2.013 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cc(C)nc(C)c3)C2)C1 ZINC001041325455 691361608 /nfs/dbraw/zinc/36/16/08/691361608.db2.gz ZXMWDGPIDXDVLY-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc(OC)c(F)c3)C2)C1 ZINC001041375920 691368864 /nfs/dbraw/zinc/36/88/64/691368864.db2.gz PZGIRUQEJJJWBW-SFHVURJKSA-N 0 3 316.376 2.006 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cccc(C(C)C)n3)C2)C1 ZINC001041445893 691376625 /nfs/dbraw/zinc/37/66/25/691376625.db2.gz PQUPHEJJUGEDRK-LJQANCHMSA-N 0 3 311.429 2.376 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3c(C)cncc3C)C2)C1 ZINC001041470161 691380936 /nfs/dbraw/zinc/38/09/36/691380936.db2.gz HFQYDPYLEASZJH-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 ZINC001041712476 691414359 /nfs/dbraw/zinc/41/43/59/691414359.db2.gz ONEGLRRZGSAOGA-PZJWPPBQSA-N 0 3 322.452 2.349 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC[C@@H]3CCCCO3)C2)C1 ZINC001041716285 691415109 /nfs/dbraw/zinc/41/51/09/691415109.db2.gz RUIYUOSRTSUPNV-HKUYNNGSSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)c3cccnc3)C2)C1 ZINC001041724720 691418176 /nfs/dbraw/zinc/41/81/76/691418176.db2.gz DOJWMYOXBOEINN-VQIMIIECSA-N 0 3 311.429 2.133 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3(CC)CCOCC3)C2)C1 ZINC001041762378 691425834 /nfs/dbraw/zinc/42/58/34/691425834.db2.gz IPNXBBVVNPCEDQ-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CC[C@H](CO)NCc1cc(Cl)c(OCC=C)c(OC)c1 ZINC000883125555 691434713 /nfs/dbraw/zinc/43/47/13/691434713.db2.gz MNBVRTWGDXBTDU-CYBMUJFWSA-N 0 3 309.793 2.387 20 30 DEEDHN C#CC[C@@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000883124089 691434780 /nfs/dbraw/zinc/43/47/80/691434780.db2.gz 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/nfs/dbraw/zinc/46/34/07/691463407.db2.gz ZOHJVJIZKUGANY-DOTOQJQBSA-N 0 3 315.417 2.457 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCc3ccco3)C[C@@H]21 ZINC001041931766 691467560 /nfs/dbraw/zinc/46/75/60/691467560.db2.gz OCYMBGKUVBUTFN-WBVHZDCISA-N 0 3 300.402 2.158 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccncc3F)C[C@H]21 ZINC001041992230 691482211 /nfs/dbraw/zinc/48/22/11/691482211.db2.gz MKSMPMOOPYREAB-CZUORRHYSA-N 0 3 303.381 2.333 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)n(C(F)F)n3)C[C@@H]21 ZINC001042074283 691499525 /nfs/dbraw/zinc/49/95/25/691499525.db2.gz DQOSAVNCVJHHSF-JSGCOSHPSA-N 0 3 324.375 2.309 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(Cl)n[nH]c3CC)C[C@@H]21 ZINC001042089209 691504354 /nfs/dbraw/zinc/50/43/54/691504354.db2.gz VZWDCQOTSPLPIR-AAEUAGOBSA-N 0 3 322.840 2.348 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C[C@@H]21 ZINC001042128611 691515444 /nfs/dbraw/zinc/51/54/44/691515444.db2.gz XBTOZGSAFQRTBD-ZFWWWQNUSA-N 0 3 316.449 2.430 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(COC)o3)C[C@H]21 ZINC001042142324 691519522 /nfs/dbraw/zinc/51/95/22/691519522.db2.gz NFBDYRZFVWRYOD-UKRRQHHQSA-N 0 3 304.390 2.148 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(COC)o3)C[C@@H]21 ZINC001042142323 691519587 /nfs/dbraw/zinc/51/95/87/691519587.db2.gz NFBDYRZFVWRYOD-HIFRSBDPSA-N 0 3 304.390 2.148 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)nn(C)c3Cl)C[C@@H]21 ZINC001042172214 691528411 /nfs/dbraw/zinc/52/84/11/691528411.db2.gz DHEXFPGQFBANFF-OLZOCXBDSA-N 0 3 322.840 2.104 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccn(CC)c3C)C[C@@H]21 ZINC001042195832 691533740 /nfs/dbraw/zinc/53/37/40/691533740.db2.gz CFEBOBQJFYHOAI-WMZOPIPTSA-N 0 3 313.445 2.376 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cccnc3OC)C[C@@H]21 ZINC001042215848 691537988 /nfs/dbraw/zinc/53/79/88/691537988.db2.gz IBCOPUMHZFEPQR-ZBFHGGJFSA-N 0 3 315.417 2.203 20 30 DEEDHN C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000883561887 691540155 /nfs/dbraw/zinc/54/01/55/691540155.db2.gz 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C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001050893901 693265668 /nfs/dbraw/zinc/26/56/68/693265668.db2.gz YKDKJHUFUIFOKW-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)c3cccnc3)cccc2C1 ZINC001051277745 693325475 /nfs/dbraw/zinc/32/54/75/693325475.db2.gz VNIAINBNPXIJDQ-UHFFFAOYSA-N 0 3 319.408 2.393 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)c3ccn(C)c3)cccc2C1 ZINC001051285477 693330373 /nfs/dbraw/zinc/33/03/73/693330373.db2.gz MZFBYOQCMZUNCK-UHFFFAOYSA-N 0 3 321.424 2.337 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)c3ccncn3)cccc2C1 ZINC001051302127 693334468 /nfs/dbraw/zinc/33/44/68/693334468.db2.gz SHCYBTDAAPKWBD-UHFFFAOYSA-N 0 3 322.412 2.341 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)CCC3CC3)C2)CC1 ZINC001052003398 693426461 /nfs/dbraw/zinc/42/64/61/693426461.db2.gz UACDHWBCTILMKJ-GOSISDBHSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001052012558 693428032 /nfs/dbraw/zinc/42/80/32/693428032.db2.gz IZCRAZNVNWOEPS-IAGOWNOFSA-N 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/nfs/dbraw/zinc/57/76/55/693577655.db2.gz LIFPBMULRQSXGP-MRXNPFEDSA-N 0 3 324.384 2.331 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](NC(=O)c3cnco3)CC2)cc1 ZINC001052607116 693578659 /nfs/dbraw/zinc/57/86/59/693578659.db2.gz YWSJLZWLFDDIDT-INIZCTEOSA-N 0 3 324.384 2.331 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)CC1 ZINC001052702873 693599802 /nfs/dbraw/zinc/59/98/02/693599802.db2.gz PJHQQAMOGJJJSS-GOSISDBHSA-N 0 3 323.440 2.280 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2oc(C(C)C)nc2C)CC1 ZINC001052779169 693618058 /nfs/dbraw/zinc/61/80/58/693618058.db2.gz YKFPQKIZCHWBPI-AWEZNQCLSA-N 0 3 303.406 2.324 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)COC3)CC1 ZINC001052788084 693618968 /nfs/dbraw/zinc/61/89/68/693618968.db2.gz PCUBAGBSGMJOAP-GOSISDBHSA-N 0 3 312.413 2.324 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2nc(C3CC3)oc2C)CC1 ZINC001052834545 693628406 /nfs/dbraw/zinc/62/84/06/693628406.db2.gz PXRNRDFYKJAQQL-CQSZACIVSA-N 0 3 301.390 2.078 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ncccc2OC(C)C)CC1 ZINC001052904411 693645302 /nfs/dbraw/zinc/64/53/02/693645302.db2.gz QVINJAXPGGDIHG-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cn3c(cccc3C)n2)CC1 ZINC001052926160 693649614 /nfs/dbraw/zinc/64/96/14/693649614.db2.gz ZNHPRUKVYGURHS-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001052951166 693654811 /nfs/dbraw/zinc/65/48/11/693654811.db2.gz GFLBYFLZEOJASG-OAHLLOKOSA-N 0 3 315.417 2.012 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC001052966401 693657978 /nfs/dbraw/zinc/65/79/78/693657978.db2.gz USWGVVSRSRFIMM-XLIONFOSSA-N 0 3 310.441 2.494 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cocn2)C1 ZINC001053078671 693684678 /nfs/dbraw/zinc/68/46/78/693684678.db2.gz VVIRSTRGXKLZMB-NVXWUHKLSA-N 0 3 315.417 2.405 20 30 DEEDHN C=CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2nonc2C)C1 ZINC001053112432 693692251 /nfs/dbraw/zinc/69/22/51/693692251.db2.gz LJDBIDXXCYYUCD-LSDHHAIUSA-N 0 3 318.421 2.271 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)COc2ccc(Cl)cc2)C1 ZINC001332049676 1149813750 /nfs/dbraw/zinc/81/37/50/1149813750.db2.gz QMXFXEYCKKRZRO-DZGCQCFKSA-N 0 3 320.820 2.321 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCC(=O)N(CC)CC)[C@H]1C ZINC001332217772 1149836378 /nfs/dbraw/zinc/83/63/78/1149836378.db2.gz IOTZXDUKJKZEOH-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1ccccc1C ZINC001332675755 1149879148 /nfs/dbraw/zinc/87/91/48/1149879148.db2.gz DBRNGYXRHGOXQW-AEFFLSMTSA-N 0 3 318.461 2.111 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001335280105 1150392522 /nfs/dbraw/zinc/39/25/22/1150392522.db2.gz FFVPVJSFWIGRBP-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1COc2c(F)cc(F)cc2C1 ZINC001343231670 1150716090 /nfs/dbraw/zinc/71/60/90/1150716090.db2.gz AZDOIYPJVOIHGO-TZMCWYRMSA-N 0 3 310.344 2.068 20 30 DEEDHN CC1(CC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)COC1 ZINC001343442508 1150742101 /nfs/dbraw/zinc/74/21/01/1150742101.db2.gz NWPDHHXVRVXJCT-ZDUSSCGKSA-N 0 3 320.776 2.092 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCCCN(C(=O)CC)C1 ZINC001479680936 1150761150 /nfs/dbraw/zinc/76/11/50/1150761150.db2.gz JKAJLVYGVASLQK-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN N#Cc1cc(C(=O)NCC2(NCc3ccsc3)CCC2)c[nH]1 ZINC001402557096 1162391869 /nfs/dbraw/zinc/39/18/69/1162391869.db2.gz XLKVZYSSGHEYTI-UHFFFAOYSA-N 0 3 314.414 2.390 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1ccnc(N2CCCCC2)n1 ZINC001344875815 1150848478 /nfs/dbraw/zinc/84/84/78/1150848478.db2.gz ZOZJXRSELYGNPO-CYBMUJFWSA-N 0 3 324.388 2.173 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccccc1 ZINC001348535344 1151168070 /nfs/dbraw/zinc/16/80/70/1151168070.db2.gz PDZGAGSCBCCSIV-RCCFBDPRSA-N 0 3 314.429 2.014 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)CCC(F)(F)F)CC1 ZINC001479918427 1151202411 /nfs/dbraw/zinc/20/24/11/1151202411.db2.gz HMHDQWCBVQVNEL-UHFFFAOYSA-N 0 3 321.387 2.029 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001354201755 1151876930 /nfs/dbraw/zinc/87/69/30/1151876930.db2.gz DWIRBHPFRUBSLK-NRXISQOPSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCn1c([C@H](O)C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001356030543 1152052968 /nfs/dbraw/zinc/05/29/68/1152052968.db2.gz VDXBDLAILPTBSD-RRFJBIMHSA-N 0 3 321.469 2.072 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC001357193018 1152267040 /nfs/dbraw/zinc/26/70/40/1152267040.db2.gz YSZSQUXTNOFOQG-RYUDHWBXSA-N 0 3 308.344 2.240 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@@H](c3ncccn3)C2)c1 ZINC001414041984 1152546182 /nfs/dbraw/zinc/54/61/82/1152546182.db2.gz FQPWREFWEWDORW-SJORKVTESA-N 0 3 308.385 2.261 20 30 DEEDHN CSC[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001402850630 1162498186 /nfs/dbraw/zinc/49/81/86/1162498186.db2.gz ITSALTQGBQXFEO-NWDGAFQWSA-N 0 3 323.437 2.291 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1c[nH]c2ncccc12 ZINC001402857712 1162501507 /nfs/dbraw/zinc/50/15/07/1162501507.db2.gz IZDHCTVOTPLOTF-LBPRGKRZSA-N 0 3 320.824 2.342 20 30 DEEDHN CC[C@H](F)C(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001380304870 1152785368 /nfs/dbraw/zinc/78/53/68/1152785368.db2.gz KEWJIINBMRHIQZ-INIZCTEOSA-N 0 3 315.392 2.341 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC001362450012 1152912903 /nfs/dbraw/zinc/91/29/03/1152912903.db2.gz WJWNIQJJKLSSCK-UWWQBHOKSA-N 0 3 311.429 2.358 20 30 DEEDHN C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NCc1cc(C#N)ccc1F ZINC001381202445 1152949606 /nfs/dbraw/zinc/94/96/06/1152949606.db2.gz UIYBDEPAWUBBDF-TYNCELHUSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)nn1C ZINC001381466587 1153075162 /nfs/dbraw/zinc/07/51/62/1153075162.db2.gz HEAXUMVPWIDIHN-UHFFFAOYSA-N 0 3 312.845 2.169 20 30 DEEDHN CCc1cccc(OCCN(C)[C@@H](C)CNC(=O)[C@H](C)C#N)c1 ZINC001381508745 1153102231 /nfs/dbraw/zinc/10/22/31/1153102231.db2.gz KNQZXIIUONJNOP-CABCVRRESA-N 0 3 317.433 2.224 20 30 DEEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1C ZINC001362923077 1153144259 /nfs/dbraw/zinc/14/42/59/1153144259.db2.gz CMBWVCVFYIWAQC-VNQPRFMTSA-N 0 3 314.385 2.169 20 30 DEEDHN CN1C[C@@H]2CCN(C(=O)c3cccc(SCC#N)c3)[C@@H]2C1 ZINC001363059836 1153203210 /nfs/dbraw/zinc/20/32/10/1153203210.db2.gz UESGSTNGOUFMEY-DZGCQCFKSA-N 0 3 301.415 2.078 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)c2cccc(SCC#N)c2)CCN1 ZINC001363099029 1153219892 /nfs/dbraw/zinc/21/98/92/1153219892.db2.gz FEROYBIDBRKNLZ-OAHLLOKOSA-N 0 3 303.431 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001382585750 1153475865 /nfs/dbraw/zinc/47/58/65/1153475865.db2.gz KKVAOHKMSTUYTE-IYXRBSQSSA-N 0 3 310.829 2.166 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001382602430 1153479322 /nfs/dbraw/zinc/47/93/22/1153479322.db2.gz POUALIPKARCESR-MNOVXSKESA-N 0 3 305.344 2.315 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2coc(CC3CC3)n2)C1 ZINC001402945502 1162561831 /nfs/dbraw/zinc/56/18/31/1162561831.db2.gz REGSSUYRUXFUSB-UHFFFAOYSA-N 0 3 323.824 2.478 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](OC)C2CC2)C1 ZINC001388749901 1155080089 /nfs/dbraw/zinc/08/00/89/1155080089.db2.gz HBZITEPGPICSQS-IACUBPJLSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001371769166 1156007255 /nfs/dbraw/zinc/00/72/55/1156007255.db2.gz HPYDSCSLUHGIPC-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN CCc1ccc(CN(C)CCNC(=O)c2c[nH]c(C#N)c2)cc1 ZINC001371952904 1156082844 /nfs/dbraw/zinc/08/28/44/1156082844.db2.gz PWGCRUKZVQQBDZ-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN CC[C@H](CNC(=O)C(C)(C)COC)NCc1ccc(C#N)s1 ZINC001391703372 1156711790 /nfs/dbraw/zinc/71/17/90/1156711790.db2.gz CFQOMUGRIBWMDK-GFCCVEGCSA-N 0 3 323.462 2.277 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001391720188 1156736711 /nfs/dbraw/zinc/73/67/11/1156736711.db2.gz PVLQSKKWAMHOGS-UONOGXRCSA-N 0 3 309.360 2.430 20 30 DEEDHN CC[C@H](CNC(=O)Cc1ccco1)NCc1ccc(C#N)s1 ZINC001391738537 1156762099 /nfs/dbraw/zinc/76/20/99/1156762099.db2.gz XWXKPDMISHVYKP-GFCCVEGCSA-N 0 3 317.414 2.440 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](CNC(=O)C1CC1)C(C)C ZINC001392201286 1156889498 /nfs/dbraw/zinc/88/94/98/1156889498.db2.gz FHQNNVBONGLFFT-MRXNPFEDSA-N 0 3 315.417 2.207 20 30 DEEDHN CCCC[C@H](CNCc1cnc(C)s1)NC(=O)[C@@H](C)C#N ZINC001403283144 1162837147 /nfs/dbraw/zinc/83/71/47/1162837147.db2.gz ULFATYVPLSPUDU-WCQYABFASA-N 0 3 308.451 2.376 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001392558159 1157131944 /nfs/dbraw/zinc/13/19/44/1157131944.db2.gz PEBKMMPRRPZLQG-UWJYBYFXSA-N 0 3 313.373 2.115 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001373870726 1157422714 /nfs/dbraw/zinc/42/27/14/1157422714.db2.gz QHNSIYRTINMNBE-HNNXBMFYSA-N 0 3 310.829 2.213 20 30 DEEDHN CCc1nc(C)c(CNC[C@@](C)(NC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001373874818 1157426525 /nfs/dbraw/zinc/42/65/25/1157426525.db2.gz MONIERCSCKKYBT-APPDUMDISA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cncn2C)CCCC[C@H]1C ZINC001373901380 1157448492 /nfs/dbraw/zinc/44/84/92/1157448492.db2.gz IWIKMQJAYBEVSB-MLGOLLRUSA-N 0 3 324.856 2.441 20 30 DEEDHN Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)s1 ZINC001373916352 1157459403 /nfs/dbraw/zinc/45/94/03/1157459403.db2.gz SXNAVYOQXHMSKK-RAIGVLPGSA-N 0 3 306.435 2.128 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@H]3CC34CCC4)CC2)c1 ZINC001392936405 1157549721 /nfs/dbraw/zinc/54/97/21/1157549721.db2.gz GNVRBMBGRNZSCJ-MRXNPFEDSA-N 0 3 309.413 2.487 20 30 DEEDHN COc1cccc(CN2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)c1C ZINC001393110286 1157692750 /nfs/dbraw/zinc/69/27/50/1157692750.db2.gz ZQMDPHSWDJMERR-SCLBCKFNSA-N 0 3 315.417 2.244 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001374208900 1157727755 /nfs/dbraw/zinc/72/77/55/1157727755.db2.gz VUWPEPFSACSJGI-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN COc1ccc(C)cc1CN(C)CCCN(C)C(=O)[C@H](C)C#N ZINC001393614555 1157882385 /nfs/dbraw/zinc/88/23/85/1157882385.db2.gz WZHTYEYVZQLDPS-OAHLLOKOSA-N 0 3 317.433 2.444 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(C)CCC1 ZINC001374922045 1158093014 /nfs/dbraw/zinc/09/30/14/1158093014.db2.gz MBFYTLVMVOJZLI-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C(C)(C)COC ZINC001394021373 1158169351 /nfs/dbraw/zinc/16/93/51/1158169351.db2.gz DNVIHWGGBNSXDY-UHFFFAOYSA-N 0 3 304.862 2.486 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cncs1 ZINC001375006021 1158193102 /nfs/dbraw/zinc/19/31/02/1158193102.db2.gz PJWBTYHGGZCTJN-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394122147 1158314859 /nfs/dbraw/zinc/31/48/59/1158314859.db2.gz BGDHVHBKSSPOHJ-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001394498249 1158590118 /nfs/dbraw/zinc/59/01/18/1158590118.db2.gz DRBPFAOFFVCWHZ-SWLSCSKDSA-N 0 3 321.396 2.251 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001394504601 1158595466 /nfs/dbraw/zinc/59/54/66/1158595466.db2.gz PHNCXYXZDYSHFI-SMDDNHRTSA-N 0 3 309.360 2.382 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)C3(CCF)CC3)CC2)c1 ZINC001375449711 1158687922 /nfs/dbraw/zinc/68/79/22/1158687922.db2.gz MSYLFQXSHKBNSY-UHFFFAOYSA-N 0 3 315.392 2.436 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1CC1(F)F)NCc1ccc(C#N)s1 ZINC001403565491 1163006294 /nfs/dbraw/zinc/00/62/94/1163006294.db2.gz XEILVBIWTSESSY-BXKDBHETSA-N 0 3 313.373 2.211 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001377340269 1160238253 /nfs/dbraw/zinc/23/82/53/1160238253.db2.gz PMDIOIBXIQUDOP-OAHLLOKOSA-N 0 3 315.889 2.440 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2c[nH]nc21 ZINC001377472061 1160400097 /nfs/dbraw/zinc/40/00/97/1160400097.db2.gz BWBPTQOOSAOUIC-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(C(F)F)c1 ZINC001377510222 1160449103 /nfs/dbraw/zinc/44/91/03/1160449103.db2.gz GWYUFOLGVXVXQY-VIFPVBQESA-N 0 3 306.744 2.129 20 30 DEEDHN Cc1nocc1CN1CC[C@@H](NC(=O)[C@H](C)C#N)CC(C)(C)C1 ZINC001397815797 1160539160 /nfs/dbraw/zinc/53/91/60/1160539160.db2.gz RWSLDQZTBLUKLH-IUODEOHRSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CN(CCNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001377553641 1160540291 /nfs/dbraw/zinc/54/02/91/1160540291.db2.gz LDXWXJBKQBEVJJ-UHFFFAOYSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001377704665 1160756357 /nfs/dbraw/zinc/75/63/57/1160756357.db2.gz IMZCMOYVFUXUQI-UHFFFAOYSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001377715082 1160775417 /nfs/dbraw/zinc/77/54/17/1160775417.db2.gz WOQSZTKTWOPACC-UHFFFAOYSA-N 0 3 323.824 2.255 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001378038587 1160947171 /nfs/dbraw/zinc/94/71/71/1160947171.db2.gz PZJDKISNJNSMID-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN CC(C)CC(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001398539650 1160958622 /nfs/dbraw/zinc/95/86/22/1160958622.db2.gz JEUXPEOHXWIAJO-SHTZXODSSA-N 0 3 303.381 2.480 20 30 DEEDHN CC(=O)CCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001399155821 1161262156 /nfs/dbraw/zinc/26/21/56/1161262156.db2.gz FNRNSPYFTFUNPS-ZDUSSCGKSA-N 0 3 319.430 2.070 20 30 DEEDHN Cc1cc(C)cc(CN(C)CCNC(=O)c2c[nH]c(C#N)c2)c1 ZINC001399450421 1161404929 /nfs/dbraw/zinc/40/49/29/1161404929.db2.gz UMDLEKFXCWJZTI-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN COc1ccc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)o1 ZINC001401751438 1162108805 /nfs/dbraw/zinc/10/88/05/1162108805.db2.gz YGQZRCKQZZWIJQ-JTQLQIEISA-N 0 3 319.386 2.129 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2ccnn2C)CCCC1 ZINC001405388137 1164070594 /nfs/dbraw/zinc/07/05/94/1164070594.db2.gz IRWGQEALDSVOID-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)n1cccn1)C1CC1 ZINC001405467720 1164106528 /nfs/dbraw/zinc/10/65/28/1164106528.db2.gz ZKEIDRAFBLHHDE-WFASDCNBSA-N 0 3 310.829 2.071 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@]34C[C@H]3CCC4)CC2)c1 ZINC001406946884 1164890233 /nfs/dbraw/zinc/89/02/33/1164890233.db2.gz ABFBBSDRADVDPM-VQIMIIECSA-N 0 3 309.413 2.487 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001417775926 1167205633 /nfs/dbraw/zinc/20/56/33/1167205633.db2.gz KLIYTDSBXJSCJY-MCIONIFRSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001417893594 1167288902 /nfs/dbraw/zinc/28/89/02/1167288902.db2.gz XMZMPXFKOBOUOD-GXTWGEPZSA-N 0 3 310.829 2.145 20 30 DEEDHN C[C@H](CNC(=O)COC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC001418212270 1167494049 /nfs/dbraw/zinc/49/40/49/1167494049.db2.gz XBGVVXYWPJJUNU-GFCCVEGCSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](CNC(=O)c1nccs1)NCc1ccc(F)c(C#N)c1 ZINC001418291727 1167553638 /nfs/dbraw/zinc/55/36/38/1167553638.db2.gz SMRSJUBHZHZLQX-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN COCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)cc1 ZINC001418593626 1167831852 /nfs/dbraw/zinc/83/18/52/1167831852.db2.gz NDHJDFYSCRFJIZ-WMLDXEAASA-N 0 3 315.417 2.073 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001419145938 1168251762 /nfs/dbraw/zinc/25/17/62/1168251762.db2.gz BFXGUKWUEHIUPP-IUODEOHRSA-N 0 3 305.809 2.233 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2ccncn2)CCCC1 ZINC001419313128 1168391711 /nfs/dbraw/zinc/39/17/11/1168391711.db2.gz ZDWZYEUXSLDHGT-UHFFFAOYSA-N 0 3 322.840 2.180 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001420275157 1169310484 /nfs/dbraw/zinc/31/04/84/1169310484.db2.gz ZBDVJKAKHPZVJP-GHMZBOCLSA-N 0 3 309.797 2.103 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)c2ccc[nH]2)C2CC2)s1 ZINC001420722644 1171085673 /nfs/dbraw/zinc/08/56/73/1171085673.db2.gz WLEIBMKNXDQQPM-OAHLLOKOSA-N 0 3 314.414 2.246 20 30 DEEDHN Cc1ncc(CNC[C@H](NC(=O)[C@H](C)C#N)C2CCCC2)s1 ZINC001421162630 1171541829 /nfs/dbraw/zinc/54/18/29/1171541829.db2.gz TZIOCQDIRKQSTI-ABAIWWIYSA-N 0 3 320.462 2.376 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)Cc1[nH]cnc1C)C1CCCC1 ZINC001421168846 1171548815 /nfs/dbraw/zinc/54/88/15/1171548815.db2.gz LWZFNZRCVCYBRO-HNNXBMFYSA-N 0 3 324.856 2.278 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)CN(C)C(C)C)CC1 ZINC001421281082 1171667165 /nfs/dbraw/zinc/66/71/65/1171667165.db2.gz KBVZZEJJBZCIJM-UHFFFAOYSA-N 0 3 315.889 2.297 20 30 DEEDHN Cc1nsc(C)c1CNC[C@@](C)(NC(=O)[C@H](C)C#N)C1CC1 ZINC001421553725 1171845718 /nfs/dbraw/zinc/84/57/18/1171845718.db2.gz YZUODFZOKFWBOL-QLJPJBMISA-N 0 3 320.462 2.294 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)CC1CC1 ZINC001421668115 1171891204 /nfs/dbraw/zinc/89/12/04/1171891204.db2.gz ZKAOZTHJKKULAB-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)CCn1cccc1 ZINC001421745597 1171957293 /nfs/dbraw/zinc/95/72/93/1171957293.db2.gz JYOKUPHYICVFFL-INIZCTEOSA-N 0 3 324.428 2.292 20 30 DEEDHN CC[C@@H](F)CNC[C@@H](CC(C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC001422009323 1172227953 /nfs/dbraw/zinc/22/79/53/1172227953.db2.gz YJIMJAZTOJLFBX-TZMCWYRMSA-N 0 3 308.401 2.369 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c[nH]c3ncccc23)C1 ZINC001422275025 1172453447 /nfs/dbraw/zinc/45/34/47/1172453447.db2.gz LFESOLGHIJVEKR-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(CC)c2C)C1 ZINC001422282155 1172457714 /nfs/dbraw/zinc/45/77/14/1172457714.db2.gz XTNDABABWNTLJG-UHFFFAOYSA-N 0 3 310.829 2.062 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001422552454 1172699553 /nfs/dbraw/zinc/69/95/53/1172699553.db2.gz HLWOYCIHAMIQSF-UXIGCNINSA-N 0 3 303.381 2.338 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001422608861 1172757321 /nfs/dbraw/zinc/75/73/21/1172757321.db2.gz YNVGOLQUFLWMTL-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)CCCF ZINC001423329636 1173248764 /nfs/dbraw/zinc/24/87/64/1173248764.db2.gz MNWUZRCNRQSPHV-VXGBXAGGSA-N 0 3 309.410 2.448 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H](C)NC(=O)C(C)(C)F ZINC001424758844 1173906412 /nfs/dbraw/zinc/90/64/12/1173906412.db2.gz PTPXOCMJJABJMA-VXGBXAGGSA-N 0 3 321.396 2.298 20 30 DEEDHN CC1(C)CCN(S(=O)(=O)c2cccc(C#N)c2)CC(C)(C)N1 ZINC001424915738 1174030459 /nfs/dbraw/zinc/03/04/59/1174030459.db2.gz BZQIHWSEKBAHQM-UHFFFAOYSA-N 0 3 321.446 2.099 20 30 DEEDHN COc1ccc(C)cc1CN[C@H](C)CN(C)C(=O)[C@@H](C)C#N ZINC001425546305 1174362976 /nfs/dbraw/zinc/36/29/76/1174362976.db2.gz MGOPTSHMYSVLEG-UONOGXRCSA-N 0 3 303.406 2.100 20 30 DEEDHN N#Cc1cccc(C#N)c1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001434447174 1178566796 /nfs/dbraw/zinc/56/67/96/1178566796.db2.gz PPPCGLHNWUARKB-QGZVFWFLSA-N 0 3 304.353 2.286 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@H](c3ccncn3)C2)c1 ZINC001434456717 1178581550 /nfs/dbraw/zinc/58/15/50/1178581550.db2.gz GRTLOEQKNABICB-WMZOPIPTSA-N 0 3 308.385 2.261 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(O)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001434475482 1178626467 /nfs/dbraw/zinc/62/64/67/1178626467.db2.gz KWQYXSXYXVILQB-UONOGXRCSA-N 0 3 323.437 2.030 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)c1 ZINC001436339677 1179052396 /nfs/dbraw/zinc/05/23/96/1179052396.db2.gz KZWAARNNQRJEMI-NFAWXSAZSA-N 0 3 303.381 2.278 20 30 DEEDHN Cc1ccncc1CN1CCC2(C[C@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001436746050 1179214102 /nfs/dbraw/zinc/21/41/02/1179214102.db2.gz FZMACJARNINCPY-GOEBONIOSA-N 0 3 312.417 2.020 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001436973549 1179324306 /nfs/dbraw/zinc/32/43/06/1179324306.db2.gz JSSKZBOTTHOCBL-BETUJISGSA-N 0 3 300.830 2.183 20 30 DEEDHN Cc1ccoc1CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001437205681 1179575289 /nfs/dbraw/zinc/57/52/89/1179575289.db2.gz YEYCDSNRPCKOPR-LBPRGKRZSA-N 0 3 317.414 2.358 20 30 DEEDHN CN(C/C=C\Cl)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001437971117 1180116005 /nfs/dbraw/zinc/11/60/05/1180116005.db2.gz BAFNXGZQYKOQLB-DBGMKRSLSA-N 0 3 306.797 2.033 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001438216639 1180238458 /nfs/dbraw/zinc/23/84/58/1180238458.db2.gz CHEGAWYFUYSOKQ-RDTXWAMCSA-N 0 3 311.429 2.368 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001438473681 1180473513 /nfs/dbraw/zinc/47/35/13/1180473513.db2.gz JFVDKURLHKJRBQ-LBPRGKRZSA-N 0 3 312.373 2.010 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001439095250 1180881946 /nfs/dbraw/zinc/88/19/46/1180881946.db2.gz UORBGDFJOLJERC-MNOVXSKESA-N 0 3 309.410 2.043 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001439206499 1180936708 /nfs/dbraw/zinc/93/67/08/1180936708.db2.gz PRRHBJCLFAQVHV-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@]1(C)CCCOC1 ZINC001439266340 1180978427 /nfs/dbraw/zinc/97/84/27/1180978427.db2.gz GZFZGJHHKOSKNK-BLLLJJGKSA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccccn3)CC2)cc1F ZINC001439580773 1181154962 /nfs/dbraw/zinc/15/49/62/1181154962.db2.gz JSDJNMFJSXTNDZ-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001439594357 1181160595 /nfs/dbraw/zinc/16/05/95/1181160595.db2.gz BMSKWFBELQQQHI-BMIGLBTASA-N 0 3 319.355 2.350 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H](C)NC(=O)C(C)C ZINC001440795866 1181697617 /nfs/dbraw/zinc/69/76/17/1181697617.db2.gz ZZTSHPKWARMZKF-OLZOCXBDSA-N 0 3 303.406 2.206 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001441034028 1181832029 /nfs/dbraw/zinc/83/20/29/1181832029.db2.gz KBCUHHBLNZLRJY-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001441354196 1181953929 /nfs/dbraw/zinc/95/39/29/1181953929.db2.gz QJOXFPIWQNCFBH-AULYBMBSSA-N 0 3 318.808 2.413 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N[C@H](C)c1ccccc1F ZINC001441798857 1182168515 /nfs/dbraw/zinc/16/85/15/1182168515.db2.gz MCBBYQPFYGIXCK-VXGBXAGGSA-N 0 3 314.364 2.495 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CC1CCOCC1)C1CC1 ZINC001444097719 1183284886 /nfs/dbraw/zinc/28/48/86/1183284886.db2.gz AJMAFIPXQLPXFO-INIZCTEOSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cnc(C)cn1)C1CC1 ZINC001444095385 1183284908 /nfs/dbraw/zinc/28/49/08/1183284908.db2.gz UAFNFWZYLTZCOA-HNNXBMFYSA-N 0 3 308.813 2.026 20 30 DEEDHN Cc1cc(CN2CCC(CCNC(=O)[C@H](C)C#N)CC2)sn1 ZINC001444205298 1183315686 /nfs/dbraw/zinc/31/56/86/1183315686.db2.gz CVWBPRMFNLHKKN-GFCCVEGCSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H](C)COC)CCCC1 ZINC001444529398 1183433627 /nfs/dbraw/zinc/43/36/27/1183433627.db2.gz XETQKYBWUVJYMU-GFCCVEGCSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C1CC(OCC)C1)C(C)C ZINC001444855480 1183595769 /nfs/dbraw/zinc/59/57/69/1183595769.db2.gz KMYMHRALZPODFY-JXQTWKCFSA-N 0 3 302.846 2.284 20 30 DEEDHN CC(C)(F)C(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001445914743 1184125594 /nfs/dbraw/zinc/12/55/94/1184125594.db2.gz LOKUZXWOQYMKCT-OAHLLOKOSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001445961589 1184151488 /nfs/dbraw/zinc/15/14/88/1184151488.db2.gz QMTGYYJONDHXOE-JGFGOQIWSA-N 0 3 315.392 2.338 20 30 DEEDHN CC(C)CCCN1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001447709224 1184847103 /nfs/dbraw/zinc/84/71/03/1184847103.db2.gz ZEFZBVGSXANESA-INIZCTEOSA-N 0 3 321.465 2.276 20 30 DEEDHN C[C@H](NCc1ccccc1F)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001447859135 1184899171 /nfs/dbraw/zinc/89/91/71/1184899171.db2.gz VJKJEHPDSAAQAC-RYUDHWBXSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(C)ncn1 ZINC001447949813 1184975418 /nfs/dbraw/zinc/97/54/18/1184975418.db2.gz PZABNUGAEIGEGX-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)CCOc1ccc(Cl)cc1 ZINC001447998133 1185013385 /nfs/dbraw/zinc/01/33/85/1185013385.db2.gz XNWKAGODUCUCTL-CHWSQXEVSA-N 0 3 323.824 2.315 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001448497660 1185258564 /nfs/dbraw/zinc/25/85/64/1185258564.db2.gz BVBWEGKUXMJRRD-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001448515360 1185268422 /nfs/dbraw/zinc/26/84/22/1185268422.db2.gz OAGOUHOGLJEIGU-SHTZXODSSA-N 0 3 322.836 2.475 20 30 DEEDHN CCCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnc[n-]c2=O)C1 ZINC001331992658 1149804659 /nfs/dbraw/zinc/80/46/59/1149804659.db2.gz BKGONOQNULQHTP-KGLIPLIRSA-N 0 3 320.437 2.345 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H](NCc2ccnn2C)C[C@@H]1C ZINC001332016577 1149808662 /nfs/dbraw/zinc/80/86/62/1149808662.db2.gz VYKSDKUEGRMCDZ-HOTGVXAUSA-N 0 3 316.449 2.083 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@H](NC/C=C\Cl)C[C@@H]2C)c1 ZINC001332030679 1149810685 /nfs/dbraw/zinc/81/06/85/1149810685.db2.gz VFBVFURFAGTTTN-WBBZJUAJSA-N 0 3 303.793 2.008 20 30 DEEDHN C=CCOCCN1CC[C@@]2(NC(=O)c3nccs3)CCC[C@H]12 ZINC001332113777 1149821056 /nfs/dbraw/zinc/82/10/56/1149821056.db2.gz SXQXODLLQBJWFF-BBRMVZONSA-N 0 3 321.446 2.073 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC001332160750 1149827398 /nfs/dbraw/zinc/82/73/98/1149827398.db2.gz SCRSPEFCYKFSHI-WBVHZDCISA-N 0 3 302.418 2.472 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001083698598 782364735 /nfs/dbraw/zinc/36/47/35/782364735.db2.gz OKTNDOMRLFKIJU-KGLIPLIRSA-N 0 3 322.474 2.153 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC001332413614 1149858040 /nfs/dbraw/zinc/85/80/40/1149858040.db2.gz POHQXBKLHICMPD-ZBFHGGJFSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3Cc4ccc(F)cc43)C2)C1 ZINC001072918001 790301827 /nfs/dbraw/zinc/30/18/27/790301827.db2.gz MSHICQRZVGFAHY-INIZCTEOSA-N 0 3 300.377 2.186 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001332676260 1149878964 /nfs/dbraw/zinc/87/89/64/1149878964.db2.gz JEAWXJAKIVCFEV-SJLPKXTDSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1c[nH]c2ncccc12)C(C)C ZINC001332740602 1149886743 /nfs/dbraw/zinc/88/67/43/1149886743.db2.gz NVOPOQNDFOWQOA-UHFFFAOYSA-N 0 3 314.433 2.460 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CN1CCCCCC1=O)C(C)C ZINC001332740643 1149887152 /nfs/dbraw/zinc/88/71/52/1149887152.db2.gz PEXNHCCLTQALTQ-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001211795611 778857537 /nfs/dbraw/zinc/85/75/37/778857537.db2.gz WEAGUIJPYJQYRI-IAGOWNOFSA-N 0 3 302.418 2.390 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)o2)CC(C)(C)C1 ZINC001089365686 783042214 /nfs/dbraw/zinc/04/22/14/783042214.db2.gz YFYYRWDLZAODHW-OAHLLOKOSA-N 0 3 302.418 2.371 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC2(F)F)[C@H](OC)C1 ZINC001212220604 783044535 /nfs/dbraw/zinc/04/45/35/783044535.db2.gz GLXUYHCENXQYOT-BFHYXJOUSA-N 0 3 318.408 2.427 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)CN(C)CCC)CC1 ZINC001060687604 783045578 /nfs/dbraw/zinc/04/55/78/783045578.db2.gz FZYGJKQQVYYHGD-WKILWMFISA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC(C)(C)C1 ZINC001089419425 783088420 /nfs/dbraw/zinc/08/84/20/783088420.db2.gz GGOJPGNVAGIJGW-HNNXBMFYSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)C)CC(C)(C)C1 ZINC001089426932 783094577 /nfs/dbraw/zinc/09/45/77/783094577.db2.gz JQKNJUYKNLFQDT-AWEZNQCLSA-N 0 3 316.449 2.387 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C2CC2)C[C@H]1C ZINC000947357825 783115682 /nfs/dbraw/zinc/11/56/82/783115682.db2.gz XARVBVCZPGGRQT-TZMCWYRMSA-N 0 3 302.422 2.066 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C[C@@H]1C ZINC000947357018 783116549 /nfs/dbraw/zinc/11/65/49/783116549.db2.gz QVBSGBFUACCYKY-LSDHHAIUSA-N 0 3 304.438 2.308 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)CC(C)(C)C1 ZINC001089497268 783163613 /nfs/dbraw/zinc/16/36/13/783163613.db2.gz BIBSYYMWELCREP-AWEZNQCLSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C[C@H]1C ZINC000947584003 783181030 /nfs/dbraw/zinc/18/10/30/783181030.db2.gz CIIDCHXKTSZRMW-GDBMZVCRSA-N 0 3 311.429 2.483 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(OC)cs2)C[C@H]1C ZINC000947606821 783187744 /nfs/dbraw/zinc/18/77/44/783187744.db2.gz GHKNRLYSTCFAEY-CHWSQXEVSA-N 0 3 306.431 2.363 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)C[C@H]2CCOC2)c(F)c1 ZINC001333469376 1150054577 /nfs/dbraw/zinc/05/45/77/1150054577.db2.gz DLOKCBMGELINCA-CQSZACIVSA-N 0 3 306.381 2.144 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c(F)cccc2F)C[C@H]1C ZINC000947652959 783199415 /nfs/dbraw/zinc/19/94/15/783199415.db2.gz GMFXZRYMEFTLFE-CHWSQXEVSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnc(OCC)c2)C[C@H]1C ZINC000947709497 783209842 /nfs/dbraw/zinc/20/98/42/783209842.db2.gz CXTPLCRBMDIFSR-GDBMZVCRSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(C)c2CC)C[C@H]1C ZINC000947723463 783213980 /nfs/dbraw/zinc/21/39/80/783213980.db2.gz WEPGBBULXDPGJC-HUUCEWRRSA-N 0 3 301.434 2.194 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(C3CC3)n2)C[C@@H]1C ZINC000947787944 783231691 /nfs/dbraw/zinc/23/16/91/783231691.db2.gz FICIJYJIBNBDPI-GXTWGEPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CC3=CCCCC3)C[C@@H]2O)C1 ZINC001090553798 790353722 /nfs/dbraw/zinc/35/37/22/790353722.db2.gz ROJMFZHRUVTHIR-IRXDYDNUSA-N 0 3 318.461 2.395 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)Cc3cccs3)C2)C1 ZINC001073025582 790399094 /nfs/dbraw/zinc/39/90/94/790399094.db2.gz IBUWXLFOOXKCQM-HNNXBMFYSA-N 0 3 316.470 2.484 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@H](O)C1 ZINC001090654070 790421541 /nfs/dbraw/zinc/42/15/41/790421541.db2.gz FFLWZGAJTJQUJH-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC)c(C)c3)C2)C1 ZINC001073057371 790421943 /nfs/dbraw/zinc/42/19/43/790421943.db2.gz VUUHIQJEONCKIM-UHFFFAOYSA-N 0 3 300.402 2.338 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cc(F)ccc3OC)C2)C1 ZINC001073069115 790429094 /nfs/dbraw/zinc/42/90/94/790429094.db2.gz QTGILYIMZZESQW-UHFFFAOYSA-N 0 3 318.392 2.097 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn(CC)c3C3CC3)C2)C1 ZINC001073112379 790463224 /nfs/dbraw/zinc/46/32/24/790463224.db2.gz ZJYBYQQCOBKIBI-UHFFFAOYSA-N 0 3 314.433 2.114 20 30 DEEDHN C#CCCCN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001209266889 776684231 /nfs/dbraw/zinc/68/42/31/776684231.db2.gz FSNQGMVMDSVWPU-CEXWTWQISA-N 0 3 314.429 2.491 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001090746952 790474728 /nfs/dbraw/zinc/47/47/28/790474728.db2.gz KKABVLUOFHILQS-GJZGRUSLSA-N 0 3 308.809 2.081 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2cnccc2n1 ZINC001167309748 776880217 /nfs/dbraw/zinc/88/02/17/776880217.db2.gz XXAGRICVCJYUCP-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCNCc2cccc(Cl)c2)c1 ZINC001125390814 776889899 /nfs/dbraw/zinc/88/98/99/776889899.db2.gz DNUHROPTFBARAE-UHFFFAOYSA-N 0 3 302.765 2.059 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001111488823 777025191 /nfs/dbraw/zinc/02/51/91/777025191.db2.gz WNRMIIBCJNXVSM-HZMVEIRTSA-N 0 3 324.465 2.114 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@H]2C1 ZINC001083220360 777133155 /nfs/dbraw/zinc/13/31/55/777133155.db2.gz UQNUUKSDGQALKU-XWTMOSNGSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001167536628 777294011 /nfs/dbraw/zinc/29/40/11/777294011.db2.gz UTBCMAQLTHVVLR-STQMWFEESA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CC34CCCC4)[C@H]2C1 ZINC001083239948 777298782 /nfs/dbraw/zinc/29/87/82/777298782.db2.gz JSYLDRSJHFXPBF-IXDOHACOSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC001167546901 777303515 /nfs/dbraw/zinc/30/35/15/777303515.db2.gz WZSMLCTWUJJQOZ-ZIAGYGMSSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)COC)CC1 ZINC001167566064 777330857 /nfs/dbraw/zinc/33/08/57/777330857.db2.gz CEGWRQCHMDAVIG-LBPRGKRZSA-N 0 3 302.846 2.288 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@H](OC)C1 ZINC001213166067 777430026 /nfs/dbraw/zinc/43/00/26/777430026.db2.gz FVZRNBHXFKHCPY-IAGOWNOFSA-N 0 3 317.433 2.094 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001090793343 790544806 /nfs/dbraw/zinc/54/48/06/790544806.db2.gz IYRHZFKPLORNRR-IRXDYDNUSA-N 0 3 316.445 2.092 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cnoc3CC)C(C)(C)[C@H]21 ZINC001087306399 777760110 /nfs/dbraw/zinc/76/01/10/777760110.db2.gz IMMANRXNOTUKKD-WQVCFCJDSA-N 0 3 315.417 2.089 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccnc(C)c1 ZINC001087309299 777767752 /nfs/dbraw/zinc/76/77/52/777767752.db2.gz DUKSLWAFHFQXCG-IXDOHACOSA-N 0 3 311.429 2.242 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3cccn3C(C)C)[C@H]2C1 ZINC001083277107 777874089 /nfs/dbraw/zinc/87/40/89/777874089.db2.gz PANMQUDZVZZKCN-DLBZAZTESA-N 0 3 317.433 2.170 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H](O)C1 ZINC001090825021 790577625 /nfs/dbraw/zinc/57/76/25/790577625.db2.gz PPDNMNUXWWADHW-BNQMIIOLSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccns1)C[C@@H](C)O2 ZINC001098603790 778088375 /nfs/dbraw/zinc/08/83/75/778088375.db2.gz XJQLLENQOPGXQC-CYBMUJFWSA-N 0 3 321.446 2.025 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C(F)(F)F ZINC001112032414 778099585 /nfs/dbraw/zinc/09/95/85/778099585.db2.gz IKRXCZGVOKMDBX-CHWSQXEVSA-N 0 3 302.340 2.179 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)CCCF)C[C@H]1c1ccccc1 ZINC001211650682 778133789 /nfs/dbraw/zinc/13/37/89/778133789.db2.gz SOVIGWFYJMPXFV-DLBZAZTESA-N 0 3 302.393 2.344 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001105085245 778329943 /nfs/dbraw/zinc/32/99/43/778329943.db2.gz HJKOXBDIFQVCOH-UKRRQHHQSA-N 0 3 314.857 2.406 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)C2(F)CCCC2)C1 ZINC001111795005 778400315 /nfs/dbraw/zinc/40/03/15/778400315.db2.gz UQANIWIECCPSKM-YJBOKZPZSA-N 0 3 324.440 2.442 20 30 DEEDHN N#Cc1cc(C(=O)NCCNCc2ccc(Cl)c(F)c2)c[nH]1 ZINC001125988087 778481946 /nfs/dbraw/zinc/48/19/46/778481946.db2.gz LDNJVLQCERKLIF-UHFFFAOYSA-N 0 3 320.755 2.198 20 30 DEEDHN COc1cccc(C(=O)N2CCC(NCC3(C#N)CC3)CC2)c1 ZINC001167855658 778723441 /nfs/dbraw/zinc/72/34/41/778723441.db2.gz OFGDZBRMAPUASG-UHFFFAOYSA-N 0 3 313.401 2.193 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100361852 778729263 /nfs/dbraw/zinc/72/92/63/778729263.db2.gz FLXYSDDLPHIFTE-UHFFFAOYSA-N 0 3 324.856 2.183 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001075621370 778766237 /nfs/dbraw/zinc/76/62/37/778766237.db2.gz YDRCTVAXCWHDGS-UKPHBRMFSA-N 0 3 315.392 2.061 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001211764608 778847888 /nfs/dbraw/zinc/84/78/88/778847888.db2.gz LACMQQVOLJUKRO-HZPDHXFCSA-N 0 3 306.381 2.221 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)n3c(C)ccc3C)C2)C1 ZINC001073457617 790667398 /nfs/dbraw/zinc/66/73/98/790667398.db2.gz YHWYPPIXMMDKNF-KRWDZBQOSA-N 0 3 313.445 2.224 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@]3(C)CCc4ccccc43)C2)C1 ZINC001073476119 790677834 /nfs/dbraw/zinc/67/78/34/790677834.db2.gz VAJSBODAVZMJDJ-HXUWFJFHSA-N 0 3 322.452 2.448 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112149900 779174374 /nfs/dbraw/zinc/17/43/74/779174374.db2.gz XSXWGQOJHGWEBQ-JHJVBQTASA-N 0 3 322.371 2.214 20 30 DEEDHN CCc1occc1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001126502296 779222848 /nfs/dbraw/zinc/22/28/48/779222848.db2.gz VOLVDXDURQNBNN-UHFFFAOYSA-N 0 3 315.348 2.372 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)O)CCCC1 ZINC001111523370 779241539 /nfs/dbraw/zinc/24/15/39/779241539.db2.gz WYVKUSVPGFDWOO-JJXSEGSLSA-N 0 3 306.450 2.225 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@H]1CC ZINC001087602201 779374534 /nfs/dbraw/zinc/37/45/34/779374534.db2.gz DOBSCAORZMGQLI-VHSXEESVSA-N 0 3 316.327 2.197 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2CC)[C@H]1CC ZINC001087614609 779379009 /nfs/dbraw/zinc/37/90/09/779379009.db2.gz DANJXFOKOBHYAN-JKSUJKDBSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2OC)[C@H]1CC ZINC001087711763 779419452 /nfs/dbraw/zinc/41/94/52/779419452.db2.gz VZPIVAIPTWQNTK-LSDHHAIUSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)[C@H]1CC ZINC001087798196 779455987 /nfs/dbraw/zinc/45/59/87/779455987.db2.gz GPOKITKZOSUZNK-JZXOWHBKSA-N 0 3 314.429 2.454 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc(F)c3C)[C@@H]2C1 ZINC001075821150 779479711 /nfs/dbraw/zinc/47/97/11/779479711.db2.gz HHCBMIPVHVYERR-WMLDXEAASA-N 0 3 300.377 2.304 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)[C@H]1CC ZINC001087849407 779484795 /nfs/dbraw/zinc/48/47/95/779484795.db2.gz XROQRTMSIAIZKB-VBNZEHGJSA-N 0 3 318.465 2.296 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3cccc(CC)c3)C[C@@H]2C1 ZINC001088017334 779637157 /nfs/dbraw/zinc/63/71/57/779637157.db2.gz XCYQBVZEGKSQON-MOPGFXCFSA-N 0 3 310.441 2.205 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3nc(Cl)sc3C)C[C@@H]2C1 ZINC001088037165 779649746 /nfs/dbraw/zinc/64/97/46/779649746.db2.gz YGJFKCYYEQEJPR-NEPJUHHUSA-N 0 3 323.849 2.132 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3nccc4ccccc43)C[C@@H]2C1 ZINC001088084602 779689082 /nfs/dbraw/zinc/68/90/82/779689082.db2.gz WWAZWVZPHKSPSE-SJORKVTESA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(Cl)cs3)C[C@@H]2C1 ZINC001088128817 779716820 /nfs/dbraw/zinc/71/68/20/779716820.db2.gz JRBGKOCKUBOTJJ-NEPJUHHUSA-N 0 3 308.834 2.429 20 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0 3 306.450 2.350 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccc(C#N)cn1)CC2 ZINC001144158891 790782310 /nfs/dbraw/zinc/78/23/10/790782310.db2.gz TWLVSQXCKOZPAX-IBGZPJMESA-N 0 3 324.428 2.486 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)C[C@H](C)O2 ZINC001098646464 780644379 /nfs/dbraw/zinc/64/43/79/780644379.db2.gz MXLSAWWHYUUYQQ-BHYGNILZSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn3ccc(C)cc23)[C@H]1C ZINC001088637690 780671885 /nfs/dbraw/zinc/67/18/85/780671885.db2.gz VVQCSOBYNGOZBY-ZBFHGGJFSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H]1C ZINC001088659781 780696764 /nfs/dbraw/zinc/69/67/64/780696764.db2.gz AESCYRINAFKIGK-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C(C)C)nn2CC)[C@H]1C ZINC001088701218 780858881 /nfs/dbraw/zinc/85/88/81/780858881.db2.gz UXABCADMSAHDFH-CABCVRRESA-N 0 3 316.449 2.242 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2nc3c(s2)CCC3)[C@H]1C ZINC001088747073 780928007 /nfs/dbraw/zinc/92/80/07/780928007.db2.gz ILAHTKBAEVVLIL-NEPJUHHUSA-N 0 3 305.447 2.401 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnc4ccncc43)[C@@H]2C1 ZINC001076088679 781113780 /nfs/dbraw/zinc/11/37/80/781113780.db2.gz UWAGJFQKVQGCRH-KBXCAEBGSA-N 0 3 322.412 2.352 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 ZINC001076270821 781192571 /nfs/dbraw/zinc/19/25/71/781192571.db2.gz CBSWCRJVDSUQAO-ZJIFWQFVSA-N 0 3 300.402 2.492 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(OC)c3C)[C@@H]2C1 ZINC001076292973 781196598 /nfs/dbraw/zinc/19/65/98/781196598.db2.gz CLZFAGQOAWEKOR-GOEBONIOSA-N 0 3 300.402 2.336 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cnc4ccccc4c3)[C@@H]2C1 ZINC001076293131 781196968 /nfs/dbraw/zinc/19/69/68/781196968.db2.gz KOWSAFIDYZIUEL-QFBILLFUSA-N 0 3 319.408 2.404 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3F)[C@@H]2C1 ZINC001076296023 781205653 /nfs/dbraw/zinc/20/56/53/781205653.db2.gz JWPPATICBUJQDR-DZGCQCFKSA-N 0 3 306.356 2.226 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc4nccnc43)[C@@H]2C1 ZINC001076395606 781247527 /nfs/dbraw/zinc/24/75/27/781247527.db2.gz DRIMZHZVKGQRMQ-WMLDXEAASA-N 0 3 322.412 2.352 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)[C@@H]2C1 ZINC001076474077 781279057 /nfs/dbraw/zinc/27/90/57/781279057.db2.gz YCAZHFWPBROYAR-FUHWJXTLSA-N 0 3 324.428 2.145 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001077054452 781467048 /nfs/dbraw/zinc/46/70/48/781467048.db2.gz QXIOFEAURHLGIX-HUUCEWRRSA-N 0 3 308.447 2.106 20 30 DEEDHN C=CCCOCCCCC(=O)NCCNCc1cccnc1C ZINC001127124359 781780947 /nfs/dbraw/zinc/78/09/47/781780947.db2.gz CDPVOEAZNXPXIK-UHFFFAOYSA-N 0 3 319.449 2.359 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(CCC)nc2C)C[C@H]1C ZINC000947853963 783247480 /nfs/dbraw/zinc/24/74/80/783247480.db2.gz YIGCYKWMWSLIOQ-HIFRSBDPSA-N 0 3 304.438 2.370 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(CCC)nc2C)C[C@H]1C ZINC000947857015 783249083 /nfs/dbraw/zinc/24/90/83/783249083.db2.gz DZLWRTAXSMXSES-GDBMZVCRSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C[C@H]1C ZINC000947925030 783268861 /nfs/dbraw/zinc/26/88/61/783268861.db2.gz INZLDBNRJMCLAY-NVXWUHKLSA-N 0 3 309.413 2.464 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)C[C@@H]1C ZINC000947971939 783281024 /nfs/dbraw/zinc/28/10/24/783281024.db2.gz VXLAVTHXZVVFFK-DOTOQJQBSA-N 0 3 313.445 2.359 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)C1 ZINC001083763455 783293548 /nfs/dbraw/zinc/29/35/48/783293548.db2.gz LRHNWFJUEBAYRY-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(NC(C)=O)c2)C[C@H]1C ZINC000948027508 783296628 /nfs/dbraw/zinc/29/66/28/783296628.db2.gz XSTFQAAKUGMGEM-CXAGYDPISA-N 0 3 315.417 2.414 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001089629078 783297686 /nfs/dbraw/zinc/29/76/86/783297686.db2.gz OTKHBEPCVUNNAW-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncnc2C(C)C)C[C@@H]1C ZINC000948047276 783303713 /nfs/dbraw/zinc/30/37/13/783303713.db2.gz BQMFNQCQRKXZNB-LSDHHAIUSA-N 0 3 314.433 2.206 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2csc(CC)n2)C[C@@H]1C ZINC000948066896 783309880 /nfs/dbraw/zinc/30/98/80/783309880.db2.gz RNHYDEWVJMKMIE-KBPBESRZSA-N 0 3 319.474 2.240 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000948073927 783310690 /nfs/dbraw/zinc/31/06/90/783310690.db2.gz OWEZYIHTTOBWAH-HIFRSBDPSA-N 0 3 317.408 2.108 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000948073926 783310816 /nfs/dbraw/zinc/31/08/16/783310816.db2.gz OWEZYIHTTOBWAH-DZGCQCFKSA-N 0 3 317.408 2.108 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2csnc2C)CC1 ZINC000948306408 783419001 /nfs/dbraw/zinc/41/90/01/783419001.db2.gz GYBYSAAUDUWRAV-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000948433059 783464513 /nfs/dbraw/zinc/46/45/13/783464513.db2.gz OZDGRXFCBJNUAG-CYBMUJFWSA-N 0 3 322.840 2.321 20 30 DEEDHN CC#CCNCCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001127624373 783469587 /nfs/dbraw/zinc/46/95/87/783469587.db2.gz NRUZQGXAPHHROF-HOAMVYINSA-N 0 3 316.367 2.330 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cnc[n-]c2=O)CC1 ZINC000948473605 783477673 /nfs/dbraw/zinc/47/76/73/783477673.db2.gz JDOKGWZSLNBWBQ-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cnc[n-]c2=O)CC1 ZINC000948473605 783477679 /nfs/dbraw/zinc/47/76/79/783477679.db2.gz JDOKGWZSLNBWBQ-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000948553107 783499782 /nfs/dbraw/zinc/49/97/82/783499782.db2.gz DUPVLGCSTLZAKM-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2c[nH]nc2CCC)CC1 ZINC000948574280 783508339 /nfs/dbraw/zinc/50/83/39/783508339.db2.gz CYBQYGDCFONOMA-HNNXBMFYSA-N 0 3 316.449 2.312 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001073905494 790949532 /nfs/dbraw/zinc/94/95/32/790949532.db2.gz HFQGKQKSGJEBBN-KRWDZBQOSA-N 0 3 318.392 2.000 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC000948607945 783525039 /nfs/dbraw/zinc/52/50/39/783525039.db2.gz ILXNWXAFUOFOKL-INIZCTEOSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966233384 783605825 /nfs/dbraw/zinc/60/58/25/783605825.db2.gz LVOXTHXUOCQWGZ-SUMWQHHRSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001085444541 783692135 /nfs/dbraw/zinc/69/21/35/783692135.db2.gz JRRJDGJALRCTNE-NWANDNLSSA-N 0 3 324.856 2.293 20 30 DEEDHN C=CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966749728 783747297 /nfs/dbraw/zinc/74/72/97/783747297.db2.gz GEOUMWNIWCUFMP-CMPLNLGQSA-N 0 3 310.829 2.252 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966916403 783819412 /nfs/dbraw/zinc/81/94/12/783819412.db2.gz SSVRMPVMKFZURU-CXAGYDPISA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)c3ccoc3)C2)ccc1F ZINC000966967885 783843017 /nfs/dbraw/zinc/84/30/17/783843017.db2.gz MUYSSEIWWATHPA-OAHLLOKOSA-N 0 3 313.332 2.295 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C2CCC2)cnn1C ZINC001085606921 783876814 /nfs/dbraw/zinc/87/68/14/783876814.db2.gz BRYODDVDQTVROW-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001085620175 783888529 /nfs/dbraw/zinc/88/85/29/783888529.db2.gz IFKDHWAQTAINPI-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000967279586 783927727 /nfs/dbraw/zinc/92/77/27/783927727.db2.gz NXNLNJHREKMELY-WMLDXEAASA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC000967358301 783963233 /nfs/dbraw/zinc/96/32/33/783963233.db2.gz QWBDCNWUTNDEGX-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085720247 784005716 /nfs/dbraw/zinc/00/57/16/784005716.db2.gz PMFBEFRWBAVGKK-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2occ3c2CCOC3)C1 ZINC000967462436 784019818 /nfs/dbraw/zinc/01/98/18/784019818.db2.gz FOYNKEZJQOTIQO-CZUORRHYSA-N 0 3 318.417 2.369 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2cncc(C)c2)C1 ZINC000967471019 784023736 /nfs/dbraw/zinc/02/37/36/784023736.db2.gz VWISOIGYABGYFW-RDJZCZTQSA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)nc(OC)c1 ZINC001085786252 784077707 /nfs/dbraw/zinc/07/77/07/784077707.db2.gz JXMVCBIKTYRAEC-HNNXBMFYSA-N 0 3 303.406 2.121 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nn(C)c(C)c1Cl ZINC001085849000 784130905 /nfs/dbraw/zinc/13/09/05/784130905.db2.gz MJBDLJDVYVXLLH-CYBMUJFWSA-N 0 3 324.856 2.494 20 30 DEEDHN C#CCCN1CC[C@H]1CN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001085846678 784134200 /nfs/dbraw/zinc/13/42/00/784134200.db2.gz OUDBMAHCVARQOA-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2CCC(C)C)nn1 ZINC001085863595 784154309 /nfs/dbraw/zinc/15/43/09/784154309.db2.gz FGUXICONMYMHSK-OAHLLOKOSA-N 0 3 319.453 2.047 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC001085916683 784210884 /nfs/dbraw/zinc/21/08/84/784210884.db2.gz GGQMBPRKBOUWDW-HNNXBMFYSA-N 0 3 304.438 2.495 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001085922706 784221856 /nfs/dbraw/zinc/22/18/56/784221856.db2.gz IOBBIBXSMYULDQ-GOEBONIOSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1OC ZINC001085943300 784233172 /nfs/dbraw/zinc/23/31/72/784233172.db2.gz DXCAMIQQCWLHKB-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001085950617 784245536 /nfs/dbraw/zinc/24/55/36/784245536.db2.gz KKBMSXXKZRLEIZ-LSDHHAIUSA-N 0 3 316.449 2.188 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)/C=C/C3CC3)C2)s1 ZINC000968315745 784280689 /nfs/dbraw/zinc/28/06/89/784280689.db2.gz DPAWSGHPHLVHCJ-VUUYWXRKSA-N 0 3 301.415 2.276 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001086005209 784305731 /nfs/dbraw/zinc/30/57/31/784305731.db2.gz ZNAYOQAEHOANHP-DLBZAZTESA-N 0 3 314.429 2.407 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001086016143 784323268 /nfs/dbraw/zinc/32/32/68/784323268.db2.gz MNWVLHKNMGBWQT-KXGXSXBTSA-N 0 3 301.228 2.035 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)C3=CCCC3)C2)ccc1F ZINC000968400540 784357550 /nfs/dbraw/zinc/35/75/50/784357550.db2.gz BZGNWYYTLSIWFE-MRXNPFEDSA-N 0 3 313.376 2.498 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC000968400990 784359184 /nfs/dbraw/zinc/35/91/84/784359184.db2.gz VZYOVWCWQICIQQ-GOEBONIOSA-N 0 3 312.417 2.351 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)Cc3ccoc3)C2)s1 ZINC000968485993 784414741 /nfs/dbraw/zinc/41/47/41/784414741.db2.gz LQSYYLDXTUBISH-CYBMUJFWSA-N 0 3 315.398 2.146 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)CC[C@H]2C)cn1 ZINC000968561389 784465274 /nfs/dbraw/zinc/46/52/74/784465274.db2.gz KZLAAVGNPOBZGC-CRAIPNDOSA-N 0 3 311.429 2.469 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968578518 784476196 /nfs/dbraw/zinc/47/61/96/784476196.db2.gz GJKPOHDFCPAUIN-YOEHRIQHSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc3c2OCC3)C1 ZINC001086207317 784489295 /nfs/dbraw/zinc/48/92/95/784489295.db2.gz MIUIRQKFUOSASH-XBXGTLAGSA-N 0 3 320.820 2.472 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC001086246609 784521253 /nfs/dbraw/zinc/52/12/53/784521253.db2.gz JHKNPOWVFWIICR-OTVXOJSOSA-N 0 3 322.840 2.144 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1noc2c1CCCCC2 ZINC001155528962 784524230 /nfs/dbraw/zinc/52/42/30/784524230.db2.gz WGMWHDQWNFXLOA-CYBMUJFWSA-N 0 3 303.406 2.017 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)c2ccncc2)C1 ZINC001086292707 784551422 /nfs/dbraw/zinc/55/14/22/784551422.db2.gz SZVILGOLXFXTCC-AULYBMBSSA-N 0 3 324.222 2.088 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001086298870 784558821 /nfs/dbraw/zinc/55/88/21/784558821.db2.gz XIMXVFIILAYJQX-MZGVZZPPSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001086375597 784631242 /nfs/dbraw/zinc/63/12/42/784631242.db2.gz VVNQZVBETSFONO-HDJSIYSDSA-N 0 3 307.825 2.495 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC000968873802 784631151 /nfs/dbraw/zinc/63/11/51/784631151.db2.gz DJHVYFYSBCIROE-LBPRGKRZSA-N 0 3 312.364 2.439 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC000968923582 784651530 /nfs/dbraw/zinc/65/15/30/784651530.db2.gz XRIQLKTZUULAEQ-HZPDHXFCSA-N 0 3 316.449 2.307 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](NCc2ncccc2C)C1 ZINC000968924560 784653281 /nfs/dbraw/zinc/65/32/81/784653281.db2.gz PSCFYAWBVBMXIN-MRXNPFEDSA-N 0 3 324.428 2.382 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccn2nccc12 ZINC000968933625 784657943 /nfs/dbraw/zinc/65/79/43/784657943.db2.gz COYNIVNHYPERNN-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc2nccn21 ZINC000968949534 784666249 /nfs/dbraw/zinc/66/62/49/784666249.db2.gz OEFCRQRLHUVWST-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccnc1OC ZINC000969010876 784688764 /nfs/dbraw/zinc/68/87/64/784688764.db2.gz GHYMMCBQUHVTBM-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001090411480 784740266 /nfs/dbraw/zinc/74/02/66/784740266.db2.gz QVLYIULXLPHDJM-GJZGRUSLSA-N 0 3 308.447 2.106 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)nc2)CN1C(=O)OC(C)(C)C ZINC001168835605 784934005 /nfs/dbraw/zinc/93/40/05/784934005.db2.gz UJWGMAFZRWDVBM-SWLSCSKDSA-N 0 3 316.405 2.441 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCN(C[C@@H](CC)OC)C1 ZINC001007501846 784936888 /nfs/dbraw/zinc/93/68/88/784936888.db2.gz CNDJMEYAGMFXMJ-HZPDHXFCSA-N 0 3 319.449 2.293 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001007626173 784965616 /nfs/dbraw/zinc/96/56/16/784965616.db2.gz XPPGNGVISIFWTQ-CABCVRRESA-N 0 3 316.449 2.236 20 30 DEEDHN COc1ccc(CN2CC[C@@H](N3CC(CC#N)C3)CC2=O)cc1 ZINC001168921425 784969139 /nfs/dbraw/zinc/96/91/39/784969139.db2.gz WDAUCIIERHXPNF-MRXNPFEDSA-N 0 3 313.401 2.032 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(F)F)nn2C)C1 ZINC001007920730 785047845 /nfs/dbraw/zinc/04/78/45/785047845.db2.gz PXRASNQFJVFHRG-LLVKDONJSA-N 0 3 312.364 2.128 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC001169337971 785149655 /nfs/dbraw/zinc/14/96/55/785149655.db2.gz ZURJGVPECBIUMP-KGLIPLIRSA-N 0 3 302.846 2.430 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001108462945 785153660 /nfs/dbraw/zinc/15/36/60/785153660.db2.gz SCBNIPVDPWGECE-BLLLJJGKSA-N 0 3 320.412 2.200 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001074165818 791093638 /nfs/dbraw/zinc/09/36/38/791093638.db2.gz WXXPOEWPCICBBA-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001008774772 785301239 /nfs/dbraw/zinc/30/12/39/785301239.db2.gz OYFYKVTYHZIKPD-CYBMUJFWSA-N 0 3 322.478 2.288 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1cc(OC)no1 ZINC001169704745 785315665 /nfs/dbraw/zinc/31/56/65/785315665.db2.gz DKIVFBSHOSBJCU-CYBMUJFWSA-N 0 3 309.410 2.414 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001009028172 785363675 /nfs/dbraw/zinc/36/36/75/785363675.db2.gz IFLRQBWKTGDSJS-CQSZACIVSA-N 0 3 303.406 2.397 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001009373503 785440326 /nfs/dbraw/zinc/44/03/26/785440326.db2.gz WKWRCCZORZUXAM-ZDUSSCGKSA-N 0 3 308.401 2.028 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001009402864 785448486 /nfs/dbraw/zinc/44/84/86/785448486.db2.gz PNCCWEWLOHKDDH-OAHLLOKOSA-N 0 3 324.380 2.011 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001009462856 785458073 /nfs/dbraw/zinc/45/80/73/785458073.db2.gz CBUYZIQKIYQENU-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CC2CCC(OC)CC2)C1 ZINC001009752657 785519291 /nfs/dbraw/zinc/51/92/91/785519291.db2.gz CDZTVTZSAKEXKN-CGZBRXJRSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)noc2CC)C1 ZINC001091359642 791120369 /nfs/dbraw/zinc/12/03/69/791120369.db2.gz GGMYDBBJHXCIIF-UHFFFAOYSA-N 0 3 311.813 2.396 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOCC ZINC001109040019 785677181 /nfs/dbraw/zinc/67/71/81/785677181.db2.gz MAXSIJGPTTWERJ-NCOADZHNSA-N 0 3 324.465 2.116 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109266381 785788262 /nfs/dbraw/zinc/78/82/62/785788262.db2.gz APTVHVOWNLYTQV-RANZSIQMSA-N 0 3 316.445 2.247 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(C)c1 ZINC001109353188 785815125 /nfs/dbraw/zinc/81/51/25/785815125.db2.gz LWVGDNXQTASDST-IKGGRYGDSA-N 0 3 316.449 2.040 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)C3CCC3)c2)C1 ZINC001091401498 791150007 /nfs/dbraw/zinc/15/00/07/791150007.db2.gz AMDOLDKBUDDZFI-KRWDZBQOSA-N 0 3 315.417 2.137 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001109627610 785967364 /nfs/dbraw/zinc/96/73/64/785967364.db2.gz ZIRRZEKAOROOJT-NJAFHUGGSA-N 0 3 318.461 2.471 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1csc(C)n1)C2 ZINC001109797181 786063649 /nfs/dbraw/zinc/06/36/49/786063649.db2.gz YBDWEDHZFKWSDQ-PMPSAXMXSA-N 0 3 317.458 2.129 20 30 DEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1COC)C2 ZINC001109967826 786117745 /nfs/dbraw/zinc/11/77/45/786117745.db2.gz OHNWBHGCQHPHSS-INWMFGNUSA-N 0 3 319.405 2.122 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCCc3cn[nH]c32)CC1 ZINC001112855324 786257313 /nfs/dbraw/zinc/25/73/13/786257313.db2.gz RJFMPKNZJMQOIC-GOEBONIOSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001113019533 786369094 /nfs/dbraw/zinc/36/90/94/786369094.db2.gz SHBHGONGKDYEGW-QGZVFWFLSA-N 0 3 307.482 2.361 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncnc2)C1 ZINC001086585329 786495497 /nfs/dbraw/zinc/49/54/97/786495497.db2.gz RPDSDQWXUSNWOD-ZWKOTPCHSA-N 0 3 322.412 2.251 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001014592767 786651887 /nfs/dbraw/zinc/65/18/87/786651887.db2.gz DUWRRNRAHVKPFV-AWEZNQCLSA-N 0 3 307.463 2.190 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2csc(C)n2)CC1 ZINC001113612547 786727003 /nfs/dbraw/zinc/72/70/03/786727003.db2.gz DPZWIAYVRGSFPY-ZDUSSCGKSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001113623428 786732309 /nfs/dbraw/zinc/73/23/09/786732309.db2.gz GXBLDXNYXCZASD-CYBMUJFWSA-N 0 3 304.438 2.068 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@H](O)C1 ZINC001090462718 786843166 /nfs/dbraw/zinc/84/31/66/786843166.db2.gz IJVNHPMKTRQQSK-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001015109242 786898048 /nfs/dbraw/zinc/89/80/48/786898048.db2.gz SFURKKRKVMEGGH-VIFPVBQESA-N 0 3 303.284 2.074 20 30 DEEDHN CCCCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001157717834 786909169 /nfs/dbraw/zinc/90/91/69/786909169.db2.gz HQRJRVNFLSDDCW-JKSUJKDBSA-N 0 3 309.454 2.276 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001015369669 787020144 /nfs/dbraw/zinc/02/01/44/787020144.db2.gz WNPGGTIVJGDAGU-VNQPRFMTSA-N 0 3 318.367 2.282 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CCCCNCc1nccn1CC ZINC001170425331 787022395 /nfs/dbraw/zinc/02/23/95/787022395.db2.gz LIZQDGIUQIBMRG-INIZCTEOSA-N 0 3 318.465 2.471 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001015425538 787046935 /nfs/dbraw/zinc/04/69/35/787046935.db2.gz XCXNKSPCDDPCAO-INIZCTEOSA-N 0 3 310.401 2.253 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3Cl)C[C@H]21 ZINC001114067904 787075105 /nfs/dbraw/zinc/07/51/05/787075105.db2.gz YKMQYCMGNGYEJU-YYWXWVFPSA-N 0 3 317.820 2.089 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001015494426 787083004 /nfs/dbraw/zinc/08/30/04/787083004.db2.gz AEFWJBYBTVITQB-CYBMUJFWSA-N 0 3 318.446 2.013 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001015608406 787135788 /nfs/dbraw/zinc/13/57/88/787135788.db2.gz QGVJNKLRXBBQLK-HNNXBMFYSA-N 0 3 312.417 2.111 20 30 DEEDHN Cc1nc(C(=O)NCCNCc2cccc(C#N)c2)c(C)s1 ZINC001130137614 787297033 /nfs/dbraw/zinc/29/70/33/787297033.db2.gz IMCFKSMMQXNNDL-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN COc1ccc(CNCCNC(=O)Cc2ccccc2)cc1C#N ZINC001130355265 787358157 /nfs/dbraw/zinc/35/81/57/787358157.db2.gz NONGZRAWNXJLIW-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@H](C)SC)C1 ZINC001130381208 787366561 /nfs/dbraw/zinc/36/65/61/787366561.db2.gz SLGKWTICAXYKIA-QWHCGFSZSA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)C2CC2)C1 ZINC001130363958 787367004 /nfs/dbraw/zinc/36/70/04/787367004.db2.gz AAXDNSKPAJEBBO-JSGCOSHPSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(C(F)F)CC2)C1 ZINC001130393086 787368168 /nfs/dbraw/zinc/36/81/68/787368168.db2.gz YROLNIBNCUHROK-LLVKDONJSA-N 0 3 324.375 2.047 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)/C=C(\C)CC)C1 ZINC001130383229 787371706 /nfs/dbraw/zinc/37/17/06/787371706.db2.gz ANOWDQKPMHUUDR-SSUFTNFISA-N 0 3 302.422 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(C)CCC2)C1 ZINC001130415437 787383754 /nfs/dbraw/zinc/38/37/54/787383754.db2.gz GZSKFDRFJJDXNP-ZDUSSCGKSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(C3CC3)CC2)C1 ZINC001130399200 787385093 /nfs/dbraw/zinc/38/50/93/787385093.db2.gz PKEHSNQSUDMGNM-CYBMUJFWSA-N 0 3 314.433 2.191 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCCC)C[C@H]1c1cn(C)cn1 ZINC001130497819 787406082 /nfs/dbraw/zinc/40/60/82/787406082.db2.gz GBAGTRYJVJLISM-GOEBONIOSA-N 0 3 304.438 2.070 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)s1 ZINC001130529977 787420787 /nfs/dbraw/zinc/42/07/87/787420787.db2.gz CVITVKDVOKIBRR-SLEUVZQESA-N 0 3 303.431 2.262 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(OC)c1)C2 ZINC001096049822 787473180 /nfs/dbraw/zinc/47/31/80/787473180.db2.gz WYFYFGGTSDJILL-KBMXLJTQSA-N 0 3 316.376 2.193 20 30 DEEDHN C=C(Cl)CNCCNC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001130827749 787481797 /nfs/dbraw/zinc/48/17/97/787481797.db2.gz UBBIXSBGPHBKTL-UHFFFAOYSA-N 0 3 303.193 2.012 20 30 DEEDHN CCOC(=O)C1=C(Nc2ccc3c(ccnc3C#N)c2)CCNC1 ZINC001170520075 787492526 /nfs/dbraw/zinc/49/25/26/787492526.db2.gz CANDRFMKHSQQGH-UHFFFAOYSA-N 0 3 322.368 2.329 20 30 DEEDHN C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)/C(C)=C/C)n1 ZINC001130878073 787495307 /nfs/dbraw/zinc/49/53/07/787495307.db2.gz UPAYLVRQEXFZCD-ZCIHOMHXSA-N 0 3 318.421 2.063 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)c2cocn2)C1 ZINC001086658159 787548709 /nfs/dbraw/zinc/54/87/09/787548709.db2.gz TZSHSZBJOFXTKE-XJKSGUPXSA-N 0 3 324.384 2.235 20 30 DEEDHN C=CCCC(=O)N1CCC(=O)NCCN(CC(CC)CC)CC1 ZINC001131336955 787598429 /nfs/dbraw/zinc/59/84/29/787598429.db2.gz QIWVSOXVDMKHHL-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nccn3c1)C2 ZINC001096314552 787608607 /nfs/dbraw/zinc/60/86/07/787608607.db2.gz MZBYXTXTMBPFFU-PMPSAXMXSA-N 0 3 310.401 2.246 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c3ccccc31)C2 ZINC001096387009 787645176 /nfs/dbraw/zinc/64/51/76/787645176.db2.gz IQMGRVXLAVGBBL-KMFMINBZSA-N 0 3 324.428 2.485 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)COCCCC)C[C@@H](C)O2 ZINC001131642889 787670052 /nfs/dbraw/zinc/67/00/52/787670052.db2.gz XQJOAAWWCPLKJR-SJLPKXTDSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC(=C)C)C2)C1 ZINC001131658467 787680267 /nfs/dbraw/zinc/68/02/67/787680267.db2.gz UGMXZJOMEPXXAD-FUHWJXTLSA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001131751880 787717610 /nfs/dbraw/zinc/71/76/10/787717610.db2.gz NZRXOEVTFGRKRE-NVXWUHKLSA-N 0 3 302.418 2.472 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCNCc1ccc(F)cc1 ZINC001131867405 787782912 /nfs/dbraw/zinc/78/29/12/787782912.db2.gz OWLYYAYCNHMLBH-KRWDZBQOSA-N 0 3 308.397 2.260 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC=C)C1 ZINC001131937873 787822954 /nfs/dbraw/zinc/82/29/54/787822954.db2.gz ATJBKVOKLFTVGD-IRXDYDNUSA-N 0 3 324.465 2.141 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132028873 787902760 /nfs/dbraw/zinc/90/27/60/787902760.db2.gz CPPANZOAXJGGIO-AEFFLSMTSA-N 0 3 314.429 2.196 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCOCC(F)F)CC[C@H]1C ZINC001132049383 787912696 /nfs/dbraw/zinc/91/26/96/787912696.db2.gz CNOPIDFOGVLFFK-CHWSQXEVSA-N 0 3 304.381 2.203 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCc2ccnn2C)C1 ZINC001132072940 787917135 /nfs/dbraw/zinc/91/71/35/787917135.db2.gz RSZLEMSFJZKUGK-JKSUJKDBSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001132121029 787932090 /nfs/dbraw/zinc/93/20/90/787932090.db2.gz YNZZAXJFALHILV-ZBFHGGJFSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132214420 787969592 /nfs/dbraw/zinc/96/95/92/787969592.db2.gz HMLQGKFFIILOTA-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccccc2N(C)C)cc1 ZINC001132216035 787976702 /nfs/dbraw/zinc/97/67/02/787976702.db2.gz WTSDHIKLSDNKFK-UHFFFAOYSA-N 0 3 321.424 2.254 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001132308640 788020873 /nfs/dbraw/zinc/02/08/73/788020873.db2.gz NJLXQMZLWKCAHW-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(Cl)c1C)C2 ZINC001097261483 788041063 /nfs/dbraw/zinc/04/10/63/788041063.db2.gz MGUVRLZPIZVDEB-WQVCFCJDSA-N 0 3 317.820 2.402 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(CC)CC)CC[C@@H]1C ZINC001132368644 788045323 /nfs/dbraw/zinc/04/53/23/788045323.db2.gz PAEKODLNXGJECK-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCOc2cccnc2)CC[C@H]1C ZINC001132496576 788106324 /nfs/dbraw/zinc/10/63/24/788106324.db2.gz KLBQWPDOOAVIAZ-CVEARBPZSA-N 0 3 317.433 2.396 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCO)C2)CCCCC1 ZINC001132528778 788115682 /nfs/dbraw/zinc/11/56/82/788115682.db2.gz GBTQRHIJVQLTMQ-IRXDYDNUSA-N 0 3 320.477 2.312 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132532305 788122525 /nfs/dbraw/zinc/12/25/25/788122525.db2.gz AWQFHEPTOPJVIT-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCCC2CC2)cc1F ZINC001132600076 788138281 /nfs/dbraw/zinc/13/82/81/788138281.db2.gz IXHYVXDBJSSLBY-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3cccnc31)C2 ZINC001097693962 788183688 /nfs/dbraw/zinc/18/36/88/788183688.db2.gz KJBXCZNDVPTYRQ-TVFCKZIOSA-N 0 3 323.440 2.246 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)C(CCC)CCC ZINC001133026384 788259488 /nfs/dbraw/zinc/25/94/88/788259488.db2.gz BIVFFJKVSYNZEQ-UHFFFAOYSA-N 0 3 323.481 2.109 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001133091037 788279312 /nfs/dbraw/zinc/27/93/12/788279312.db2.gz NNPNQRTWIFFEJF-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN CCn1ccnc1CNCCCC[C@H](C)NC(=O)C#CC1CC1 ZINC001170665139 788311186 /nfs/dbraw/zinc/31/11/86/788311186.db2.gz KWNFOWUHHWJQLD-HNNXBMFYSA-N 0 3 316.449 2.081 20 30 DEEDHN C=C1CCC(C(=O)NCCNC[C@@H](O)c2ccccc2F)CC1 ZINC001133375835 788389751 /nfs/dbraw/zinc/38/97/51/788389751.db2.gz KXUJEBOTQNCKOG-QGZVFWFLSA-N 0 3 320.408 2.311 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC001098043838 788423801 /nfs/dbraw/zinc/42/38/01/788423801.db2.gz YAFHFHYEEADNLY-PILAGYSTSA-N 0 3 324.424 2.368 20 30 DEEDHN C[C@@H](CCCCNCc1cnns1)NC(=O)C#CC(C)(C)C ZINC001170691530 788462606 /nfs/dbraw/zinc/46/26/06/788462606.db2.gz CSZSRJXTQCKPBG-ZDUSSCGKSA-N 0 3 322.478 2.352 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(F)c(C#N)c1)C(F)F ZINC001133571708 788493920 /nfs/dbraw/zinc/49/39/20/788493920.db2.gz YURPPOKTPCIEFQ-UHFFFAOYSA-N 0 3 313.323 2.194 20 30 DEEDHN CCOCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133622344 788529164 /nfs/dbraw/zinc/52/91/64/788529164.db2.gz GBXWJASOCBJUTM-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnn(CC)c1C1CC1 ZINC001170703873 788576487 /nfs/dbraw/zinc/57/64/87/788576487.db2.gz ACVCTXIFPWHNSP-UHFFFAOYSA-N 0 3 310.829 2.242 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)s1)c1ccco1 ZINC001133728156 788581042 /nfs/dbraw/zinc/58/10/42/788581042.db2.gz PWMGTPCYPIOTHX-NSHDSACASA-N 0 3 303.387 2.222 20 30 DEEDHN CC(C)OCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133858226 788642192 /nfs/dbraw/zinc/64/21/92/788642192.db2.gz SECMTGPFWNPYHJ-GJZGRUSLSA-N 0 3 317.433 2.356 20 30 DEEDHN C[C@H](CCCCNCc1ccn(C)n1)NC(=O)C#CC(C)(C)C ZINC001170711320 788663245 /nfs/dbraw/zinc/66/32/45/788663245.db2.gz RRWSKSFVQXMLJF-OAHLLOKOSA-N 0 3 318.465 2.234 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)NCc1nccs1 ZINC001134014844 788720928 /nfs/dbraw/zinc/72/09/28/788720928.db2.gz UUGAGHRVZPJMIC-QWRGUYRKSA-N 0 3 317.418 2.030 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1snnc1C ZINC001134118427 788769865 /nfs/dbraw/zinc/76/98/65/788769865.db2.gz BTSRZWSLDHOTQP-OLZOCXBDSA-N 0 3 322.478 2.413 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccncc2Cl)c1 ZINC001134286375 788850345 /nfs/dbraw/zinc/85/03/45/788850345.db2.gz UBWSFRUPHBGEKG-UHFFFAOYSA-N 0 3 314.776 2.126 20 30 DEEDHN Cc1cnc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)s1 ZINC001134321187 788869112 /nfs/dbraw/zinc/86/91/12/788869112.db2.gz FHCCVEVLDPNICB-VXGBXAGGSA-N 0 3 305.447 2.238 20 30 DEEDHN Cc1csc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001134325329 788871313 /nfs/dbraw/zinc/87/13/13/788871313.db2.gz BKEJISHXGSKSIR-RYUDHWBXSA-N 0 3 305.447 2.238 20 30 DEEDHN Cc1nocc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134328599 788874055 /nfs/dbraw/zinc/87/40/55/788874055.db2.gz DZEXXCLKPPYOBT-CHWSQXEVSA-N 0 3 305.422 2.405 20 30 DEEDHN Cc1ncoc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134328221 788875226 /nfs/dbraw/zinc/87/52/26/788875226.db2.gz AAZKYNYJEKUURJ-QWHCGFSZSA-N 0 3 305.422 2.405 20 30 DEEDHN Cc1cnc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)s1 ZINC001134344526 788887304 /nfs/dbraw/zinc/88/73/04/788887304.db2.gz GHLCDXQIKOCORF-STQMWFEESA-N 0 3 307.463 2.484 20 30 DEEDHN C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134407175 788907057 /nfs/dbraw/zinc/90/70/57/788907057.db2.gz AABYYLDZSLGIGB-QWHCGFSZSA-N 0 3 315.421 2.411 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001134428488 788915482 /nfs/dbraw/zinc/91/54/82/788915482.db2.gz OURACBXXZFOORT-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001134428293 788916364 /nfs/dbraw/zinc/91/63/64/788916364.db2.gz HMPACEAKAGYAPR-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2cccs2)C1 ZINC001070391858 789303647 /nfs/dbraw/zinc/30/36/47/789303647.db2.gz GQKZJQNWAQMIMQ-GFCCVEGCSA-N 0 3 316.430 2.377 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1c1cn(C)cn1 ZINC001070520729 789362589 /nfs/dbraw/zinc/36/25/89/789362589.db2.gz FJIMXQGTNXYOOM-GOEBONIOSA-N 0 3 316.449 2.092 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001070928225 789483672 /nfs/dbraw/zinc/48/36/72/789483672.db2.gz NKNLTKPLVFDZME-ARFHVFGLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001071038470 789504089 /nfs/dbraw/zinc/50/40/89/789504089.db2.gz KDMGZADJOSAQHU-CABCVRRESA-N 0 3 314.857 2.381 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NCCF)CC1 ZINC001071077067 789514547 /nfs/dbraw/zinc/51/45/47/789514547.db2.gz VPOJQGOXFCMGEW-CABCVRRESA-N 0 3 312.429 2.154 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)C(CC)(CC)CC ZINC001135831899 789517039 /nfs/dbraw/zinc/51/70/39/789517039.db2.gz XGDVMUQFKBCCFV-UHFFFAOYSA-N 0 3 323.481 2.109 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(CC)CC)C[C@@H](C)O2 ZINC001071136971 789551471 /nfs/dbraw/zinc/55/14/71/789551471.db2.gz SIQRCBHJWBHNRU-QAPCUYQASA-N 0 3 306.450 2.138 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001071142589 789555459 /nfs/dbraw/zinc/55/54/59/789555459.db2.gz ZIMOTXKWNICMCO-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)/C=C/C1CC1)C[C@@H](C)O2 ZINC001071152452 789560905 /nfs/dbraw/zinc/56/09/05/789560905.db2.gz XYUBMMURSWMUMA-FVQGUVRESA-N 0 3 304.434 2.221 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CCN(CC(=C)C)C2)C1 ZINC001071196900 789586581 /nfs/dbraw/zinc/58/65/81/789586581.db2.gz KFNSWLSTUKVYSU-QAPCUYQASA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C[C@@H](C)O2 ZINC001071201782 789587988 /nfs/dbraw/zinc/58/79/88/789587988.db2.gz KSVZVLUQOLIGMI-QLCXLMDBSA-N 0 3 318.461 2.300 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@H](C)O2 ZINC001071200550 789588666 /nfs/dbraw/zinc/58/86/66/789588666.db2.gz YWCLBYPDVCDWCH-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC[C@@H]2CCCOC2)s1 ZINC001136008448 789593475 /nfs/dbraw/zinc/59/34/75/789593475.db2.gz QWUQGFPGUOAEJC-ZDUSSCGKSA-N 0 3 321.446 2.032 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347129 789671718 /nfs/dbraw/zinc/67/17/18/789671718.db2.gz HFIULOLXKIIISA-YPMHNXCESA-N 0 3 308.451 2.395 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)CC[C@@H]1C ZINC001071561834 789782351 /nfs/dbraw/zinc/78/23/51/789782351.db2.gz WDEAXGAWYFILPR-ZFWWWQNUSA-N 0 3 315.417 2.087 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3ccccc3n2)CC[C@H]1C ZINC001071568225 789786366 /nfs/dbraw/zinc/78/63/66/789786366.db2.gz KVLJKTOQFNIFKF-HUUCEWRRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc(COC)c2)CC[C@@H]1C ZINC001071583578 789794653 /nfs/dbraw/zinc/79/46/53/789794653.db2.gz JAWJUSBRDDCEFH-YOEHRIQHSA-N 0 3 317.433 2.387 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@H]1C ZINC001071626619 789823973 /nfs/dbraw/zinc/82/39/73/789823973.db2.gz XYLYRDQRYGZCFR-PBHICJAKSA-N 0 3 316.449 2.306 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)c2ccc3cncn3c2C)CC[C@@H]1C ZINC001071629278 789827360 /nfs/dbraw/zinc/82/73/60/789827360.db2.gz XLSWBWFXIQBIQA-HOCLYGCPSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ncnc3[nH]ccc32)CC[C@@H]1C ZINC001071648009 789839423 /nfs/dbraw/zinc/83/94/23/789839423.db2.gz LBRMSSILACUMTK-QWHCGFSZSA-N 0 3 313.405 2.068 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3nccn32)CC[C@H]1C ZINC001071680975 789861257 /nfs/dbraw/zinc/86/12/57/789861257.db2.gz XSIDVLHPYKFRLS-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3ccccc3nn2)CC[C@H]1C ZINC001071728362 789891399 /nfs/dbraw/zinc/89/13/99/789891399.db2.gz LNVPCFQVURKTTR-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001071776546 789914442 /nfs/dbraw/zinc/91/44/42/789914442.db2.gz VEUKKCVAGAPJJP-ZFWWWQNUSA-N 0 3 305.422 2.110 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccncc2Cl)CC[C@H]1C ZINC001071820884 789929212 /nfs/dbraw/zinc/92/92/12/789929212.db2.gz FZADGEUUNVSPBF-HIFRSBDPSA-N 0 3 319.836 2.270 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(CCC)c2)CC[C@H]1C ZINC001071861106 789947554 /nfs/dbraw/zinc/94/75/54/789947554.db2.gz NQIWESPGDMJKHN-ZBFHGGJFSA-N 0 3 304.438 2.452 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2c(C)noc2Cl)CC[C@H]1C ZINC001071891054 789961064 /nfs/dbraw/zinc/96/10/64/789961064.db2.gz WMZCGLJGFUGMNR-YPMHNXCESA-N 0 3 323.824 2.171 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2coc(CCC)n2)CC[C@H]1C ZINC001071991197 790000896 /nfs/dbraw/zinc/00/08/96/790000896.db2.gz DUWUVBKQMOFEFY-KGLIPLIRSA-N 0 3 303.406 2.233 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)CC[C@H]1C ZINC001072065897 790039208 /nfs/dbraw/zinc/03/92/08/790039208.db2.gz HKSRBRUUHDQPAH-OCCSQVGLSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncccc2OCC)CC[C@@H]1C ZINC001072128620 790063571 /nfs/dbraw/zinc/06/35/71/790063571.db2.gz CRKYMMWXCNQAFS-LSDHHAIUSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C(C)C)n2)CC[C@H]1C ZINC001072129409 790063998 /nfs/dbraw/zinc/06/39/98/790063998.db2.gz LGSZGBFZWZIWGO-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN N#Cc1cccc(CN2CCC3(CN(C(=O)C4CCC4)C3)C2)c1 ZINC001072386800 790130993 /nfs/dbraw/zinc/13/09/93/790130993.db2.gz YWUCEYZYTGUHPV-UHFFFAOYSA-N 0 3 309.413 2.393 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001074806838 791316738 /nfs/dbraw/zinc/31/67/38/791316738.db2.gz ZPHDZKRFJAFYLC-HJXMPXNTSA-N 0 3 315.392 2.432 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C[C@]2(C)C1 ZINC001091684493 791704005 /nfs/dbraw/zinc/70/40/05/791704005.db2.gz GGMRWUIILLIGPO-MKSNKDDYSA-N 0 3 302.462 2.472 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(CCCCC)n[nH]3)C2)C1 ZINC001148436005 791745610 /nfs/dbraw/zinc/74/56/10/791745610.db2.gz CDZLJPKZVQWJIE-UHFFFAOYSA-N 0 3 316.449 2.476 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCOCc3ccccc3)C2)C1 ZINC001148770300 791802983 /nfs/dbraw/zinc/80/29/83/791802983.db2.gz JRNNRWSCTCHVGQ-UHFFFAOYSA-N 0 3 314.429 2.314 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCc2ccccc2)cc1 ZINC001148827117 791804127 /nfs/dbraw/zinc/80/41/27/791804127.db2.gz XEDIQPLABBZWDY-UHFFFAOYSA-N 0 3 307.397 2.397 20 30 DEEDHN CCCCCCCCCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001148820017 791808322 /nfs/dbraw/zinc/80/83/22/791808322.db2.gz AAQISTAYZBACGK-HNNXBMFYSA-N 0 3 313.486 2.310 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCOC3)C2)CC1 ZINC001086908810 791845879 /nfs/dbraw/zinc/84/58/79/791845879.db2.gz IOPPVVWMXZGTTF-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3c[nH]c(C)n3)C2)CC1 ZINC001086910673 791847936 /nfs/dbraw/zinc/84/79/36/791847936.db2.gz ZANUAHMFQHQWPC-AWEZNQCLSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccncc3C)C2)CC1 ZINC001086919893 791851339 /nfs/dbraw/zinc/85/13/39/791851339.db2.gz AWPFZXATFOUOCF-MRXNPFEDSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)Cc3ccc[nH]3)C2)CC1 ZINC001086957260 791864066 /nfs/dbraw/zinc/86/40/66/791864066.db2.gz IYJPEGSKWMUKEX-INIZCTEOSA-N 0 3 313.445 2.284 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3nc(Cl)sc3C)C[C@]2(C)C1 ZINC001091842816 791888582 /nfs/dbraw/zinc/88/85/82/791888582.db2.gz SOTHVGXVDUENFJ-ABAIWWIYSA-N 0 3 323.849 2.132 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3c(C)cncc3C)C[C@]2(C)C1 ZINC001091850188 791889562 /nfs/dbraw/zinc/88/95/62/791889562.db2.gz HMSQXPSPIXYFIZ-APWZRJJASA-N 0 3 311.429 2.116 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001091974693 791916472 /nfs/dbraw/zinc/91/64/72/791916472.db2.gz PNIBQAXLPCIFHO-QAPCUYQASA-N 0 3 316.832 2.296 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc4c3OCC4)C[C@]2(C)C1 ZINC001092040855 791920303 /nfs/dbraw/zinc/92/03/03/791920303.db2.gz VWYAGFQIWXGNQK-UZLBHIALSA-N 0 3 324.424 2.039 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C3CC3)C3CC3)C[C@]2(C)C1 ZINC001092184797 791938491 /nfs/dbraw/zinc/93/84/91/791938491.db2.gz CHSRSNDENYDJHH-APWZRJJASA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C)c3ccco3)C[C@]2(C)C1 ZINC001092205891 791946582 /nfs/dbraw/zinc/94/65/82/791946582.db2.gz IDBMUTQUTUKOGS-DAYGRLMNSA-N 0 3 300.402 2.187 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(Cl)cn3)C[C@]2(C)C1 ZINC001092216869 791947898 /nfs/dbraw/zinc/94/78/98/791947898.db2.gz QWESEIKXZYKSBG-DYVFJYSZSA-N 0 3 317.820 2.152 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@]3(C)CCc4ccccc43)C[C@]2(C)C1 ZINC001092309435 791975122 /nfs/dbraw/zinc/97/51/22/791975122.db2.gz JXBWZFZMSJAEOC-QMMLZNLJSA-N 0 3 322.452 2.304 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(C)cccc3F)C[C@]2(C)C1 ZINC001092324326 791989230 /nfs/dbraw/zinc/98/92/30/791989230.db2.gz NLKCEFQEMSVUMV-KDOFPFPSSA-N 0 3 300.377 2.161 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C)c3cccnc23)[C@H](C)C1 ZINC001092839269 792137126 /nfs/dbraw/zinc/13/71/26/792137126.db2.gz OBQXIDZKPFXUST-HZPDHXFCSA-N 0 3 321.424 2.474 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C(F)(F)F ZINC001099281072 792159991 /nfs/dbraw/zinc/15/99/91/792159991.db2.gz GKEVIWCBSTXSQX-ZYHUDNBSSA-N 0 3 319.302 2.322 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1C(F)(F)F ZINC001099305435 792167922 /nfs/dbraw/zinc/16/79/22/792167922.db2.gz PGLACFWQRVLXEJ-RKDXNWHRSA-N 0 3 314.298 2.443 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1C(F)(F)F ZINC001099314341 792168750 /nfs/dbraw/zinc/16/87/50/792168750.db2.gz MGPRIIFAJXLNCV-QJPTWQEYSA-N 0 3 302.340 2.342 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C[C@@H]1O ZINC001099944866 792414073 /nfs/dbraw/zinc/41/40/73/792414073.db2.gz RYBGFBYHJHKQLA-IRXDYDNUSA-N 0 3 316.445 2.259 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C[C@H]1O ZINC001099973884 792426553 /nfs/dbraw/zinc/42/65/53/792426553.db2.gz KHUFZMVHXNEUHC-ZWKOTPCHSA-N 0 3 316.445 2.403 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CC2(C=C)CCCCC2)[C@H](O)C1 ZINC001100035082 792451742 /nfs/dbraw/zinc/45/17/42/792451742.db2.gz XIYRUGXOHUVVCM-IAGOWNOFSA-N 0 3 318.461 2.088 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1 ZINC001093679468 792541864 /nfs/dbraw/zinc/54/18/64/792541864.db2.gz VBAODEZQRQDGRJ-JHJVBQTASA-N 0 3 321.371 2.309 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100560251 792720086 /nfs/dbraw/zinc/72/00/86/792720086.db2.gz ZGKPQMSZQVOFNI-UHFFFAOYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100596346 792740532 /nfs/dbraw/zinc/74/05/32/792740532.db2.gz PZUTUZUIFOTTKP-WLYUNCDWSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001100715397 792808083 /nfs/dbraw/zinc/80/80/83/792808083.db2.gz KLIYTDSBXJSCJY-IYXRBSQSSA-N 0 3 310.829 2.071 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(CC)ccn3)CCC[C@@H]12 ZINC001094424395 792912551 /nfs/dbraw/zinc/91/25/51/792912551.db2.gz TUIUNMOEZRGSQL-IEBWSBKVSA-N 0 3 311.429 2.252 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001101058681 792994253 /nfs/dbraw/zinc/99/42/53/792994253.db2.gz RBNDGTTWUWSZSX-HSBZDZAISA-N 0 3 323.462 2.027 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001101217318 793071438 /nfs/dbraw/zinc/07/14/38/793071438.db2.gz WHRNLWNIAPHZNN-APWZRJJASA-N 0 3 311.429 2.165 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101336885 793125049 /nfs/dbraw/zinc/12/50/49/793125049.db2.gz TXZGMTYHPFMASR-SCTDSRPQSA-N 0 3 318.461 2.019 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCn3cccc3)C[C@]2(C)C1 ZINC001101470921 793172237 /nfs/dbraw/zinc/17/22/37/793172237.db2.gz AJCHIZCBJGKYTQ-MJGOQNOKSA-N 0 3 313.445 2.072 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)OCCC(C)C)C[C@]2(C)C1 ZINC001101484922 793179794 /nfs/dbraw/zinc/17/97/94/793179794.db2.gz NAPGCRRACSVAAW-LMMKCTJWSA-N 0 3 320.477 2.241 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1C ZINC001101805262 793384852 /nfs/dbraw/zinc/38/48/52/793384852.db2.gz KCKZRVGZHKFVMJ-ZIAGYGMSSA-N 0 3 324.856 2.187 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1C ZINC001101803686 793385440 /nfs/dbraw/zinc/38/54/40/793385440.db2.gz AEGCUAWATAPGDC-IUODEOHRSA-N 0 3 305.422 2.442 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H]1c2ccccc2CNC1=O ZINC001172301358 793393444 /nfs/dbraw/zinc/39/34/44/793393444.db2.gz NEPFJAUNOSWBIG-SCLBCKFNSA-N 0 3 305.381 2.450 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(c2ncccc2N)CC1 ZINC001172311130 793395172 /nfs/dbraw/zinc/39/51/72/793395172.db2.gz PUHATEBIWLXRMY-OAHLLOKOSA-N 0 3 321.428 2.289 20 30 DEEDHN CCOC(=O)[C@@H]1CN([C@H](C)Cc2ccc(C#N)cc2)CCS1 ZINC001172313481 793396260 /nfs/dbraw/zinc/39/62/60/793396260.db2.gz XPHOQOLWCATKJW-CJNGLKHVSA-N 0 3 318.442 2.470 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102261060 793548027 /nfs/dbraw/zinc/54/80/27/793548027.db2.gz MMEYEZNVNOATLU-ZMSDIMECSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(C(F)F)CCC2)C1 ZINC001150178914 793715163 /nfs/dbraw/zinc/71/51/63/793715163.db2.gz CUUSOWMLLXFMJB-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCN1CCN([C@@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173728333 793847340 /nfs/dbraw/zinc/84/73/40/793847340.db2.gz RSVUPNOUBBPAQL-HNNXBMFYSA-N 0 3 302.418 2.208 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)COC)C1 ZINC001103591738 794153497 /nfs/dbraw/zinc/15/34/97/794153497.db2.gz MRLWYXYEOLAORZ-GZBFAFLISA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2ccc[nH]2)C1 ZINC001103740840 794210785 /nfs/dbraw/zinc/21/07/85/794210785.db2.gz XAQIZMQHKGHGTF-TZMCWYRMSA-N 0 3 309.841 2.384 20 30 DEEDHN C=C(Br)CNCC[C@@H]1CN(C(=O)C2CC2)C[C@H]1C ZINC001103807039 794236512 /nfs/dbraw/zinc/23/65/12/794236512.db2.gz JBHHZUIYWMVQAJ-ZWNOBZJWSA-N 0 3 315.255 2.379 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C ZINC001103922086 794307240 /nfs/dbraw/zinc/30/72/40/794307240.db2.gz NXJDVRDWSOZGSG-IUODEOHRSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C ZINC001103971353 794332601 /nfs/dbraw/zinc/33/26/01/794332601.db2.gz BMRPZWGBICEQKD-BNOWGMLFSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C ZINC001103996435 794340284 /nfs/dbraw/zinc/34/02/84/794340284.db2.gz KLSJONZGGAUCOV-ZWNOBZJWSA-N 0 3 310.829 2.158 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)NCCCOc2cccc(C)c2)C1 ZINC001176069559 794341648 /nfs/dbraw/zinc/34/16/48/794341648.db2.gz JKBMEQRQQLIJIC-KRWDZBQOSA-N 0 3 314.429 2.225 20 30 DEEDHN CC[C@H](C(=O)NC[C@@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001104031064 794351675 /nfs/dbraw/zinc/35/16/75/794351675.db2.gz OYILJMOPCLEMQM-BLLLJJGKSA-N 0 3 320.412 2.202 20 30 DEEDHN CCCN(C)CC(=O)NC[C@H](C)CNc1cccc(F)c1C#N ZINC001104032925 794353096 /nfs/dbraw/zinc/35/30/96/794353096.db2.gz JWHIETJXWXWOMO-CYBMUJFWSA-N 0 3 320.412 2.203 20 30 DEEDHN Cc1ccc(CC(=O)NCCCNCc2ccccc2C#N)cn1 ZINC001176170053 794367299 /nfs/dbraw/zinc/36/72/99/794367299.db2.gz SCDDVWZUNPGCKV-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN C#CCOCCN1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001176544805 794442434 /nfs/dbraw/zinc/44/24/34/794442434.db2.gz MBLVGLPGYXQAAH-YJBOKZPZSA-N 0 3 322.449 2.406 20 30 DEEDHN C=CCOCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2 ZINC001111660324 794450285 /nfs/dbraw/zinc/45/02/85/794450285.db2.gz DQYDCLMKSMKXHM-RDJZCZTQSA-N 0 3 320.458 2.421 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112094184 794558294 /nfs/dbraw/zinc/55/82/94/794558294.db2.gz XPMDWSUPAWMIHM-CHWSQXEVSA-N 0 3 302.340 2.345 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001177268988 794629232 /nfs/dbraw/zinc/62/92/32/794629232.db2.gz CBJWKWBCILYPBO-LBPRGKRZSA-N 0 3 312.360 2.152 20 30 DEEDHN CCOc1cnc(NC(=O)C(C#N)Cc2cccs2)cn1 ZINC001177903045 794772305 /nfs/dbraw/zinc/77/23/05/794772305.db2.gz DNRSBDBAXSYVBK-SNVBAGLBSA-N 0 3 302.359 2.258 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCc1ncn2ccccc12 ZINC001177917822 794777372 /nfs/dbraw/zinc/77/73/72/794777372.db2.gz MMFUAQFCJLZIBH-GFCCVEGCSA-N 0 3 310.382 2.394 20 30 DEEDHN O=C(C#CC1CC1)NCC1(NCc2ccns2)CCCCC1 ZINC001115528414 794811694 /nfs/dbraw/zinc/81/16/94/794811694.db2.gz MRRFSCPEASPAFI-UHFFFAOYSA-N 0 3 317.458 2.465 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H](C)CC)[C@H]1C ZINC001178139270 794839115 /nfs/dbraw/zinc/83/91/15/794839115.db2.gz BPIKYKUSGQSYRI-JYJNAYRXSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2csnn2)CCCCC1 ZINC001115651952 794861143 /nfs/dbraw/zinc/86/11/43/794861143.db2.gz RTSXGYQNOSOJEN-UHFFFAOYSA-N 0 3 314.842 2.313 20 30 DEEDHN CCOCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178332025 794889727 /nfs/dbraw/zinc/88/97/27/794889727.db2.gz AHKARTIFWVDTEJ-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178572917 794955254 /nfs/dbraw/zinc/95/52/54/794955254.db2.gz WNKXUWZNROAQCS-COPLHBTASA-N 0 3 321.248 2.212 20 30 DEEDHN C#CCOCCN(C)CCOc1ccccc1Br ZINC001116440622 794956680 /nfs/dbraw/zinc/95/66/80/794956680.db2.gz WJSMGZUKSGMIRD-UHFFFAOYSA-N 0 3 312.207 2.410 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)CCCF ZINC001179337717 795102355 /nfs/dbraw/zinc/10/23/55/795102355.db2.gz UXTUBEUEVRVMFT-FZMZJTMJSA-N 0 3 309.410 2.448 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)c2n[nH]c(C)n2)[C@@H]1C ZINC001179464292 795119755 /nfs/dbraw/zinc/11/97/55/795119755.db2.gz ZYRUGAHFOBEHLI-DYEKYZERSA-N 0 3 305.426 2.109 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001118090705 795152323 /nfs/dbraw/zinc/15/23/23/795152323.db2.gz OFSSMOYHNYXTNS-DGCLKSJQSA-N 0 3 305.296 2.409 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC001119834597 795362108 /nfs/dbraw/zinc/36/21/08/795362108.db2.gz ALKZIZAHQAXZGO-DOMZBBRYSA-N 0 3 317.364 2.006 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC(C)=O)C1 ZINC001120318562 795439331 /nfs/dbraw/zinc/43/93/31/795439331.db2.gz GHCXGYBIEPNBCD-ROUUACIJSA-N 0 3 318.461 2.472 20 30 DEEDHN C#Cc1cccc(NC(=O)CNC[C@H](O)CC2CCCC2)c1 ZINC001120485289 795470600 /nfs/dbraw/zinc/47/06/00/795470600.db2.gz LXBZCLLJSDXOTC-QGZVFWFLSA-N 0 3 300.402 2.137 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cccc3c2OCCO3)C1 ZINC001181534851 795488168 /nfs/dbraw/zinc/48/81/68/795488168.db2.gz FVJZCDJLXAIREX-OAHLLOKOSA-N 0 3 316.401 2.115 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc(F)c(OC)c(F)c1 ZINC001181654211 795513301 /nfs/dbraw/zinc/51/33/01/795513301.db2.gz DNOXDTMRPRHLJV-ZDUSSCGKSA-N 0 3 324.371 2.283 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)OCC)C2 ZINC001120694143 795515185 /nfs/dbraw/zinc/51/51/85/795515185.db2.gz GVBSNGDJKCQSFF-PEGDAGBESA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)c1 ZINC001120908444 795556195 /nfs/dbraw/zinc/55/61/95/795556195.db2.gz ZJWKHDZVGXJUIH-MRXNPFEDSA-N 0 3 315.417 2.259 20 30 DEEDHN COc1ccc(C#CC(=O)NCCc2cnc3cc[nH]cc2-3)cc1 ZINC001182049384 795597589 /nfs/dbraw/zinc/59/75/89/795597589.db2.gz FQWGEHDNNNZVSD-UHFFFAOYSA-N 0 3 319.364 2.282 20 30 DEEDHN COc1ccc(C#CC(=O)NCCc2c[nH]c3ccncc23)cc1 ZINC001182049384 795597592 /nfs/dbraw/zinc/59/75/92/795597592.db2.gz FQWGEHDNNNZVSD-UHFFFAOYSA-N 0 3 319.364 2.282 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC001121881961 795698968 /nfs/dbraw/zinc/69/89/68/795698968.db2.gz BIXZUNKJIVRGEO-OAHLLOKOSA-N 0 3 303.406 2.319 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC001121946085 795707995 /nfs/dbraw/zinc/70/79/95/795707995.db2.gz LPLFXKOXIVPMQJ-SJORKVTESA-N 0 3 301.434 2.185 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2nc(C(C)(C)C)co2)CC1 ZINC001122030828 795718918 /nfs/dbraw/zinc/71/89/18/795718918.db2.gz GZHLAMIMCAXNEO-UHFFFAOYSA-N 0 3 320.437 2.422 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC001122087722 795724765 /nfs/dbraw/zinc/72/47/65/795724765.db2.gz PNBDDVKCPYZEIJ-AWEZNQCLSA-N 0 3 316.449 2.342 20 30 DEEDHN Cc1csc(C[C@@H]2CCN(C(=O)[C@@H](N)CCCCC#N)C2)n1 ZINC001122250849 795739579 /nfs/dbraw/zinc/73/95/79/795739579.db2.gz WGDIGQIWONZDBO-KBPBESRZSA-N 0 3 320.462 2.254 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001122266817 795740935 /nfs/dbraw/zinc/74/09/35/795740935.db2.gz HNOQNZMEFAHFAJ-BXKDBHETSA-N 0 3 311.769 2.284 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001122451992 795760200 /nfs/dbraw/zinc/76/02/00/795760200.db2.gz GYSULKOZERTTQV-OUCADQQQSA-N 0 3 316.357 2.158 20 30 DEEDHN C=C(CN1CCCC1)C(=O)N(C)CCC(=O)c1ccccc1 ZINC001183045093 795794538 /nfs/dbraw/zinc/79/45/38/795794538.db2.gz TUMONPXXZMROLG-UHFFFAOYSA-N 0 3 300.402 2.370 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2cccc(F)c2)ccc1F ZINC001122884013 795814840 /nfs/dbraw/zinc/81/48/40/795814840.db2.gz WOQIDBMMNRYVBV-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc32)C1 ZINC001184238914 796019672 /nfs/dbraw/zinc/01/96/72/796019672.db2.gz SRCTTWNVXYZNKP-HIFRSBDPSA-N 0 3 318.804 2.030 20 30 DEEDHN CCCC[C@H](CC)CC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001184425688 796062142 /nfs/dbraw/zinc/06/21/42/796062142.db2.gz WAVRHWVINRTJGA-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001184815301 796132289 /nfs/dbraw/zinc/13/22/89/796132289.db2.gz RFKDDYMRLNYDFX-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2oc3ccccc3c2OC)C1 ZINC001184815489 796132501 /nfs/dbraw/zinc/13/25/01/796132501.db2.gz YPVYESVQRITGFH-CYBMUJFWSA-N 0 3 312.369 2.269 20 30 DEEDHN COC(=O)c1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001137785391 796139073 /nfs/dbraw/zinc/13/90/73/796139073.db2.gz DWLHLSVNLMJXKG-AWEZNQCLSA-N 0 3 303.383 2.247 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001185056056 796170858 /nfs/dbraw/zinc/17/08/58/796170858.db2.gz GJJHIJYBUSQWNM-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOc1ccc(CN2CCN(CC)[C@H](C)C2)cc1OC ZINC001138346951 796201107 /nfs/dbraw/zinc/20/11/07/796201107.db2.gz AUSCUNOJNVPJOE-OAHLLOKOSA-N 0 3 302.418 2.233 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001185256193 796223254 /nfs/dbraw/zinc/22/32/54/796223254.db2.gz DOUVMBCALLFEGY-SNVBAGLBSA-N 0 3 312.747 2.446 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001138626336 796246139 /nfs/dbraw/zinc/24/61/39/796246139.db2.gz FOLPUPWBKIFZAP-SFHVURJKSA-N 0 3 300.402 2.223 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c1[O-] ZINC001138626336 796246146 /nfs/dbraw/zinc/24/61/46/796246146.db2.gz FOLPUPWBKIFZAP-SFHVURJKSA-N 0 3 300.402 2.223 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001185391520 796248324 /nfs/dbraw/zinc/24/83/24/796248324.db2.gz DWLGWHXETFUDLO-SNVBAGLBSA-N 0 3 312.747 2.446 20 30 DEEDHN C=CCOc1ccccc1CN1CCC2(C[C@H](O)CO2)CC1 ZINC001139029355 796311958 /nfs/dbraw/zinc/31/19/58/796311958.db2.gz VLTPTKBTDJLWDC-INIZCTEOSA-N 0 3 303.402 2.367 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001186212887 796379439 /nfs/dbraw/zinc/37/94/39/796379439.db2.gz AMTQQGQYVQATGE-UTPJNDRASA-N 0 3 312.841 2.301 20 30 DEEDHN CCCCCC[C@@H](C)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001186486514 796408277 /nfs/dbraw/zinc/40/82/77/796408277.db2.gz ARFJUOQZPFATGJ-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN N#Cc1cccc2c(CN3CCC[C@@]4(CCNC4=O)C3)c[nH]c21 ZINC001139702621 796413916 /nfs/dbraw/zinc/41/39/16/796413916.db2.gz DYGHEYAXBACCTQ-GOSISDBHSA-N 0 3 308.385 2.142 20 30 DEEDHN C=CCn1cc(CN2CCC3(CC2)OC(=O)c2ccncc23)cn1 ZINC001139771090 796424341 /nfs/dbraw/zinc/42/43/41/796424341.db2.gz NUQURLNESLXRGU-UHFFFAOYSA-N 0 3 324.384 2.126 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(c3ccccc3F)CCC2)C1 ZINC001187027727 796473078 /nfs/dbraw/zinc/47/30/78/796473078.db2.gz MYTCCQSWFAHLOY-OAHLLOKOSA-N 0 3 314.404 2.461 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001187240080 796504561 /nfs/dbraw/zinc/50/45/61/796504561.db2.gz MCZUQTOODKIEJZ-RCCFBDPRSA-N 0 3 314.429 2.219 20 30 DEEDHN N#Cc1c(F)cc(CN2CCC3(CCCNC3=O)CC2)cc1F ZINC001140754544 796568653 /nfs/dbraw/zinc/56/86/53/796568653.db2.gz DMSYWDFERIANNW-UHFFFAOYSA-N 0 3 319.355 2.329 20 30 DEEDHN N#Cc1ccnc(N2CCN(Cc3cnc4cc[nH]cc3-4)CC2)c1 ZINC001140807367 796576857 /nfs/dbraw/zinc/57/68/57/796576857.db2.gz WPPIBHAVKZNZOR-UHFFFAOYSA-N 0 3 318.384 2.152 20 30 DEEDHN N#Cc1ccnc(N2CCN(Cc3c[nH]c4ccncc34)CC2)c1 ZINC001140807367 796576862 /nfs/dbraw/zinc/57/68/62/796576862.db2.gz WPPIBHAVKZNZOR-UHFFFAOYSA-N 0 3 318.384 2.152 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001188043793 796615077 /nfs/dbraw/zinc/61/50/77/796615077.db2.gz OJORSOUITXPSEL-JKSUJKDBSA-N 0 3 316.449 2.018 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NCc3cncn3C)C2)CCCC1 ZINC001188490628 796677367 /nfs/dbraw/zinc/67/73/67/796677367.db2.gz USEZSAGXXFDXJP-OAHLLOKOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC001188653717 796697047 /nfs/dbraw/zinc/69/70/47/796697047.db2.gz WMWNCRKFWYWAOK-LFAOLKIESA-N 0 3 304.390 2.028 20 30 DEEDHN CCCOCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189231879 796787738 /nfs/dbraw/zinc/78/77/38/796787738.db2.gz MISZXFIMBNGQTN-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCc2csc(C)n2)C1 ZINC001189280044 796795126 /nfs/dbraw/zinc/79/51/26/796795126.db2.gz PMDMVXQSWJKALQ-OAHLLOKOSA-N 0 3 307.463 2.493 20 30 DEEDHN CO[C@H](C)CC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189298846 796798612 /nfs/dbraw/zinc/79/86/12/796798612.db2.gz ASEOJGMQRCKJPX-RHSMWYFYSA-N 0 3 315.417 2.016 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCOC[C@H]2CCCCO2)C1 ZINC001189317780 796807299 /nfs/dbraw/zinc/80/72/99/796807299.db2.gz DOGCJDMNWYLSNR-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001189640520 796855174 /nfs/dbraw/zinc/85/51/74/796855174.db2.gz PLZLTGUQLCYWPG-JKSUJKDBSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001189645795 796855455 /nfs/dbraw/zinc/85/54/55/796855455.db2.gz BBQUHVAWEHRXPJ-YESZJQIVSA-N 0 3 318.461 2.302 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCc2ccsc2)C1 ZINC001149847701 796900099 /nfs/dbraw/zinc/90/00/99/796900099.db2.gz HSXXGEDGEWKLCX-INIZCTEOSA-N 0 3 322.474 2.464 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)CCc2scnc2C)C1 ZINC001189910157 796900391 /nfs/dbraw/zinc/90/03/91/796900391.db2.gz MGWXOICWBRFMJF-HNNXBMFYSA-N 0 3 319.474 2.330 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189917024 796902442 /nfs/dbraw/zinc/90/24/42/796902442.db2.gz BQZCIBKPGQOOKS-FUHWJXTLSA-N 0 3 320.408 2.186 20 30 DEEDHN Cc1ccc(OCC(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001150138018 796922628 /nfs/dbraw/zinc/92/26/28/796922628.db2.gz ZEGFZPFGSLBVRM-UHFFFAOYSA-N 0 3 323.396 2.152 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001190106603 796932188 /nfs/dbraw/zinc/93/21/88/796932188.db2.gz WPNRMQZIMIFPQR-GOEBONIOSA-N 0 3 320.458 2.128 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](C)CSC)CC1 ZINC001151021273 797002188 /nfs/dbraw/zinc/00/21/88/797002188.db2.gz OGLWJFKRAZEFRD-AWEZNQCLSA-N 0 3 314.495 2.159 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001151053566 797005629 /nfs/dbraw/zinc/00/56/29/797005629.db2.gz WEOQDTCMTCGZNE-ZSHCYNCHSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H]2CC2(F)F)CC1 ZINC001151099780 797011997 /nfs/dbraw/zinc/01/19/97/797011997.db2.gz AFRIZZCAEQNYCC-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001151150572 797016946 /nfs/dbraw/zinc/01/69/46/797016946.db2.gz SNRKQLMPBPDDBJ-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN CN1CCC(N(C(=O)c2ccc(C#N)cn2)C2CCCC2)CC1 ZINC001190590391 797035479 /nfs/dbraw/zinc/03/54/79/797035479.db2.gz JUULVZNBBNIYKE-UHFFFAOYSA-N 0 3 312.417 2.432 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@H](N(C)CCOCC3CC3)C2)CCC1 ZINC001190603465 797039353 /nfs/dbraw/zinc/03/93/53/797039353.db2.gz CTLKNEZGVGPBIU-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccsc2)C1 ZINC001190750651 797069152 /nfs/dbraw/zinc/06/91/52/797069152.db2.gz MNNLYPSLSXXAEB-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001190819673 797084571 /nfs/dbraw/zinc/08/45/71/797084571.db2.gz ZUNNSVMVHIVGNS-HOTGVXAUSA-N 0 3 304.438 2.189 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001190937277 797108042 /nfs/dbraw/zinc/10/80/42/797108042.db2.gz SUCWSJNEXCQFES-HFBAOOFYSA-N 0 3 306.406 2.026 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2cnn(C)c2)CCCCC1 ZINC001152010748 797131189 /nfs/dbraw/zinc/13/11/89/797131189.db2.gz NSTGOFGIZHKKAS-UHFFFAOYSA-N 0 3 304.438 2.153 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@H](C)COC ZINC001152366312 797178038 /nfs/dbraw/zinc/17/80/38/797178038.db2.gz YJBIENVIISRTDE-HUUCEWRRSA-N 0 3 317.433 2.167 20 30 DEEDHN COCC#CCNCCNC(=O)[C@H](C)CCCc1ccccc1 ZINC001152769673 797232486 /nfs/dbraw/zinc/23/24/86/797232486.db2.gz JFJPAORZDPKCEN-QGZVFWFLSA-N 0 3 316.445 2.001 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)C[C@H]2CCCCO2)C1 ZINC001191867803 797278257 /nfs/dbraw/zinc/27/82/57/797278257.db2.gz IWXOWHLFPRAQPR-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001153149511 797292225 /nfs/dbraw/zinc/29/22/25/797292225.db2.gz XOYBOKKKFOZBPX-VXGBXAGGSA-N 0 3 312.360 2.323 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001153149510 797292643 /nfs/dbraw/zinc/29/26/43/797292643.db2.gz XOYBOKKKFOZBPX-RYUDHWBXSA-N 0 3 312.360 2.323 20 30 DEEDHN CN(C)C1(C)CN(C(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC001192090964 797313664 /nfs/dbraw/zinc/31/36/64/797313664.db2.gz ANOSHAFJDMDPLH-UHFFFAOYSA-N 0 3 311.307 2.353 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1csc(C)c1 ZINC001153306642 797318723 /nfs/dbraw/zinc/31/87/23/797318723.db2.gz NNLSTJYWVQKJQJ-HIFRSBDPSA-N 0 3 322.474 2.421 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001192135658 797331675 /nfs/dbraw/zinc/33/16/75/797331675.db2.gz XPKUTRFVBZOBCC-OLZOCXBDSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001192196241 797335830 /nfs/dbraw/zinc/33/58/30/797335830.db2.gz IAZNBWPGTYONRM-GFCCVEGCSA-N 0 3 312.797 2.282 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001192316060 797361667 /nfs/dbraw/zinc/36/16/67/797361667.db2.gz NEFPUHXUVDGAHG-HUUCEWRRSA-N 0 3 306.406 2.118 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192387917 797378321 /nfs/dbraw/zinc/37/83/21/797378321.db2.gz ZPAODANTNJMXEP-AWEZNQCLSA-N 0 3 315.889 2.250 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001153720358 797380359 /nfs/dbraw/zinc/38/03/59/797380359.db2.gz DTSATYNPITZSLQ-CYBMUJFWSA-N 0 3 318.465 2.328 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001192522859 797401098 /nfs/dbraw/zinc/40/10/98/797401098.db2.gz LHYHKOGCHWNSOF-CYBMUJFWSA-N 0 3 323.824 2.084 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001154279171 797502699 /nfs/dbraw/zinc/50/26/99/797502699.db2.gz XSGBUUGNNIHXGK-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN CC(C#N)S(=O)(=O)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001193137223 797512117 /nfs/dbraw/zinc/51/21/17/797512117.db2.gz UPXNCJJOJFHFRB-LLVKDONJSA-N 0 3 311.794 2.298 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2ccc(C)cc2)C[C@H]1O ZINC001193400248 797559140 /nfs/dbraw/zinc/55/91/40/797559140.db2.gz LEJRNTBWAYAYLV-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)OC2CCCC2)CC1 ZINC001193556656 797591727 /nfs/dbraw/zinc/59/17/27/797591727.db2.gz HFERFTLQQCGAMX-UHFFFAOYSA-N 0 3 321.465 2.357 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccccc2OC)C1 ZINC001193631214 797596229 /nfs/dbraw/zinc/59/62/29/797596229.db2.gz UYKCEYKAPHPEDU-OAHLLOKOSA-N 0 3 318.417 2.044 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001154724936 797598237 /nfs/dbraw/zinc/59/82/37/797598237.db2.gz UKOLERFUVMYFGT-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001193929903 797644044 /nfs/dbraw/zinc/64/40/44/797644044.db2.gz PRZBSACZCUSRML-HZPDHXFCSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC001193933409 797644581 /nfs/dbraw/zinc/64/45/81/797644581.db2.gz YLOFODKUJMTRBN-GOSISDBHSA-N 0 3 316.445 2.273 20 30 DEEDHN CCCCC1(C(=O)NC[C@@H](C)N(CC)CC#CCOC)CC1 ZINC001155040999 797667177 /nfs/dbraw/zinc/66/71/77/797667177.db2.gz JAUTXIPCHCWWOP-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001155117976 797687237 /nfs/dbraw/zinc/68/72/37/797687237.db2.gz AXUATAKYNSEMFT-JFIYKMOQSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1OC ZINC001194349295 797712030 /nfs/dbraw/zinc/71/20/30/797712030.db2.gz HQWFENQAIYRGQV-CVEARBPZSA-N 0 3 304.390 2.188 20 30 DEEDHN C[C@H](N)c1nc2ccccc2n1-c1nc(C#N)c(C#N)nc1Cl ZINC001155254476 797718848 /nfs/dbraw/zinc/71/88/48/797718848.db2.gz MEMDSFZFZQHAOU-QMMMGPOBSA-N 0 3 323.747 2.232 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1nc2c(cc1C#N)COCC2 ZINC001155258606 797719647 /nfs/dbraw/zinc/71/96/47/797719647.db2.gz QXCGNKAHHDGYIE-LLVKDONJSA-N 0 3 319.368 2.385 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccccc1CC ZINC001155601498 797802052 /nfs/dbraw/zinc/80/20/52/797802052.db2.gz CVPDYSIHSJJHOK-UHFFFAOYSA-N 0 3 317.433 2.250 20 30 DEEDHN C=CCOCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001195284617 797870924 /nfs/dbraw/zinc/87/09/24/797870924.db2.gz ZXEQDWCUJKQOIV-SFHVURJKSA-N 0 3 314.429 2.411 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(C[C@H]2CC[C@@H](C)O2)CC1 ZINC001195452938 797903089 /nfs/dbraw/zinc/90/30/89/797903089.db2.gz RWOKISQUYDFGDV-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCCCC(=O)N1CCCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001195555959 797918049 /nfs/dbraw/zinc/91/80/49/797918049.db2.gz OTEQISNIQPEESG-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)c1C ZINC001206659946 797933460 /nfs/dbraw/zinc/93/34/60/797933460.db2.gz UCRPORDPLPABJS-XJKCOSOUSA-N 0 3 315.417 2.100 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001206660091 797934207 /nfs/dbraw/zinc/93/42/07/797934207.db2.gz WRBIBNWNKCSDKS-PBFPGSCMSA-N 0 3 310.401 2.264 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001195676356 797937309 /nfs/dbraw/zinc/93/73/09/797937309.db2.gz CJIVLOQOBHNOKK-QZTJIDSGSA-N 0 3 316.445 2.380 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(CC)c1C1CC1 ZINC001156292716 797968839 /nfs/dbraw/zinc/96/88/39/797968839.db2.gz OCIVASKKUSGGAQ-CQSZACIVSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@](C)(OC)c1ccccc1 ZINC001156466518 798006586 /nfs/dbraw/zinc/00/65/86/798006586.db2.gz PZIVCSQWGAJEQT-QAPCUYQASA-N 0 3 302.418 2.008 20 30 DEEDHN N#Cc1cnc(-n2cncc2CNCc2ccccc2)c(C#N)c1 ZINC001156482048 798012566 /nfs/dbraw/zinc/01/25/66/798012566.db2.gz FADAWOMMGPHDDI-UHFFFAOYSA-N 0 3 314.352 2.300 20 30 DEEDHN CN1CCC[C@H]2CN(C(=S)Nc3ccccc3C#N)C[C@H]21 ZINC001196314199 798033228 /nfs/dbraw/zinc/03/32/28/798033228.db2.gz TZHAKOBGFSKUGI-DZGCQCFKSA-N 0 3 300.431 2.281 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001196667951 798089595 /nfs/dbraw/zinc/08/95/95/798089595.db2.gz URTZNPOLBAVDIK-KBAYOESNSA-N 0 3 316.445 2.226 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(C)nc1C(C)C ZINC001156875569 798099035 /nfs/dbraw/zinc/09/90/35/798099035.db2.gz ADQCNMATQUWWIM-CQSZACIVSA-N 0 3 304.438 2.007 20 30 DEEDHN CN(CCN1CCCC1)C(=O)c1cc(-c2cccc(C#N)c2)on1 ZINC001196765394 798099936 /nfs/dbraw/zinc/09/99/36/798099936.db2.gz QNXOCIIOHAMMFS-UHFFFAOYSA-N 0 3 324.384 2.381 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001196844780 798112829 /nfs/dbraw/zinc/11/28/29/798112829.db2.gz KELJHMBKXYKLRE-DJIMGWMZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157164121 798153127 /nfs/dbraw/zinc/15/31/27/798153127.db2.gz CDQKJVLJELSRLU-UHFFFAOYSA-N 0 3 309.391 2.056 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001157203628 798161839 /nfs/dbraw/zinc/16/18/39/798161839.db2.gz XYCYMHHMZAODJG-RHSMWYFYSA-N 0 3 320.408 2.363 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=S)Nc3cccc(C#N)c3)C[C@@H]21 ZINC001197706483 798227988 /nfs/dbraw/zinc/22/79/88/798227988.db2.gz QOFDSOAGKOYWOA-HIFRSBDPSA-N 0 3 300.431 2.281 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccncc1C ZINC001157602997 798239316 /nfs/dbraw/zinc/23/93/16/798239316.db2.gz 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C=CCN1CCC[C@H]1CNc1ccc(Cl)c(C(=O)NC)n1 ZINC001160954037 798769885 /nfs/dbraw/zinc/76/98/85/798769885.db2.gz OFMDTOQIGGRBPT-NSHDSACASA-N 0 3 308.813 2.157 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@H](CC)C(C)C)CCCO1 ZINC001201909204 798810486 /nfs/dbraw/zinc/81/04/86/798810486.db2.gz TZVHGDMXGCUWAF-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ocnc2C(F)F)CC1 ZINC001161231218 798813917 /nfs/dbraw/zinc/81/39/17/798813917.db2.gz SOWTVHCVFOUOFS-UHFFFAOYSA-N 0 3 323.343 2.388 20 30 DEEDHN N#Cc1cncc(NCC2CCN(Cc3ccccn3)CC2)n1 ZINC001161240780 798815484 /nfs/dbraw/zinc/81/54/84/798815484.db2.gz BVBXNMWGVHSRJC-UHFFFAOYSA-N 0 3 308.389 2.067 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2CCC(C3CC3)CC2)CCCO1 ZINC001201966309 798815715 /nfs/dbraw/zinc/81/57/15/798815715.db2.gz YHLSVOPOPVXQIP-ABHNRTSZSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC001161314015 798825013 /nfs/dbraw/zinc/82/50/13/798825013.db2.gz HCTILRFSIOQPEY-UHFFFAOYSA-N 0 3 312.417 2.062 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC001202091786 798826847 /nfs/dbraw/zinc/82/68/47/798826847.db2.gz AHKWTNISJBAGHB-GJZGRUSLSA-N 0 3 318.465 2.442 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(N[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001202130968 798830511 /nfs/dbraw/zinc/83/05/11/798830511.db2.gz QQVLYNNQHXZNKJ-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccnc(N(C)C)c2)CC1 ZINC001161364097 798836930 /nfs/dbraw/zinc/83/69/30/798836930.db2.gz UOHATXCDTBGDNC-UHFFFAOYSA-N 0 3 314.433 2.086 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](CCC)CC(C)C)CCCO1 ZINC001202184881 798838332 /nfs/dbraw/zinc/83/83/32/798838332.db2.gz YQXYNNSWZDDMJK-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cnn3ccccc23)CC1 ZINC001161491755 798869011 /nfs/dbraw/zinc/86/90/11/798869011.db2.gz NFGJUSKMLSGRKE-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cn2ncc3ccccc32)CC1 ZINC001161497079 798870748 /nfs/dbraw/zinc/87/07/48/798870748.db2.gz RLCSPUYZUYIXEU-UHFFFAOYSA-N 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C=CCOC(=O)N[C@H]1CCCN(Cc2cc3cnccc3[nH]2)C1 ZINC001232018346 801769563 /nfs/dbraw/zinc/76/95/63/801769563.db2.gz IWNCTXIEXUFMFV-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN CN(C)c1ccc(CN2CC(N3CCCC3)C2)c(F)c1C#N ZINC001233101156 802025279 /nfs/dbraw/zinc/02/52/79/802025279.db2.gz SRJUADPVDIWMPM-UHFFFAOYSA-N 0 3 302.397 2.043 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)COC(C)C)[C@H]2C1 ZINC001217451022 802078299 /nfs/dbraw/zinc/07/82/99/802078299.db2.gz SFDGHTZBWQREHE-DLBZAZTESA-N 0 3 324.465 2.069 20 30 DEEDHN CC[C@@H](C#Cc1ccccc1)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218438871 802182610 /nfs/dbraw/zinc/18/26/10/802182610.db2.gz NEJRZCASWVNFDR-HKUYNNGSSA-N 0 3 322.408 2.251 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3cocc3C)[C@H]2C1 ZINC001218438188 802183381 /nfs/dbraw/zinc/18/33/81/802183381.db2.gz GATPIVJQNUAUDS-JKSUJKDBSA-N 0 3 304.390 2.079 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001233947022 802249173 /nfs/dbraw/zinc/24/91/73/802249173.db2.gz HNWFDQGQKONMDM-QZTJIDSGSA-N 0 3 320.477 2.264 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CCC[C@@H]1CCOC1 ZINC001233948391 802250189 /nfs/dbraw/zinc/25/01/89/802250189.db2.gz VNHXCWPTBMGXBI-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CCC[C@H]1CCOC1 ZINC001233948388 802250234 /nfs/dbraw/zinc/25/02/34/802250234.db2.gz VNHXCWPTBMGXBI-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1C[C@@H](OCC)C1CC1 ZINC001233948142 802250317 /nfs/dbraw/zinc/25/03/17/802250317.db2.gz QTMGAWCEWAALIE-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN CCc1cc(NC(=O)[C@H]2CCC3(CNC3)O2)cc(CC)c1C#N ZINC001219112373 802284871 /nfs/dbraw/zinc/28/48/71/802284871.db2.gz FKLNORWAWQKBJT-MRXNPFEDSA-N 0 3 313.401 2.143 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C/c2ccco2)[C@@H](O)C1 ZINC001219117732 802285988 /nfs/dbraw/zinc/28/59/88/802285988.db2.gz AQLPEPPGIMYRPK-ZUQFGZKASA-N 0 3 320.433 2.425 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)oc2C)[C@@H](O)C1 ZINC001219175744 802293494 /nfs/dbraw/zinc/29/34/94/802293494.db2.gz SUCWSJNEXCQFES-LYRGGWFBSA-N 0 3 306.406 2.026 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@@H](O)C1 ZINC001219551006 802344571 /nfs/dbraw/zinc/34/45/71/802344571.db2.gz OBQIUZBIVXUVSL-FQUUOJAGSA-N 0 3 318.408 2.019 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](O)C1 ZINC001219879842 802386158 /nfs/dbraw/zinc/38/61/58/802386158.db2.gz SOIRBENDWCKEON-CVEARBPZSA-N 0 3 321.465 2.377 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCO[C@H]1CCOC1 ZINC001234624846 802434023 /nfs/dbraw/zinc/43/40/23/802434023.db2.gz GPSJYRNFWBVQFO-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)c(Cl)c2)[C@@H](O)C1 ZINC001220266625 802436369 /nfs/dbraw/zinc/43/63/69/802436369.db2.gz HQMGZXOIYMDEBX-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)CC1 ZINC001220274976 802436512 /nfs/dbraw/zinc/43/65/12/802436512.db2.gz KEQABULGCAIQIM-CVEARBPZSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(C)cccc2C)[C@@H](O)C1 ZINC001220399315 802454935 /nfs/dbraw/zinc/45/49/35/802454935.db2.gz LMVABNPNACZGPG-CVEARBPZSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 ZINC001220418508 802457843 /nfs/dbraw/zinc/45/78/43/802457843.db2.gz RULIZGAKJOJVNY-XKQJLSEDSA-N 0 3 320.408 2.264 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448711 802462118 /nfs/dbraw/zinc/46/21/18/802462118.db2.gz UCFCJTIYKIADGC-BMFZPTHFSA-N 0 3 322.474 2.054 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001220754248 802492952 /nfs/dbraw/zinc/49/29/52/802492952.db2.gz UEHPMYOWESUYEG-BMFZPTHFSA-N 0 3 320.433 2.362 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCC)C[C@@H]2O)CCCCC1 ZINC001221129943 802532181 /nfs/dbraw/zinc/53/21/81/802532181.db2.gz TZJQIVUOARCGEX-SJORKVTESA-N 0 3 320.477 2.312 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCC3)[C@@H]2C1 ZINC001221250860 802542391 /nfs/dbraw/zinc/54/23/91/802542391.db2.gz DAXYBGHYNVOCFE-GVDBMIGSSA-N 0 3 304.434 2.078 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](OCC)C(=C)C)[C@@H]2C1 ZINC001221586774 802595668 /nfs/dbraw/zinc/59/56/68/802595668.db2.gz RCNDWVULJFMVCA-ZACQAIPSSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001221718507 802607526 /nfs/dbraw/zinc/60/75/26/802607526.db2.gz SMHZQIQTAVEVNX-INMHGKMJSA-N 0 3 312.429 2.108 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3ccoc3)C[C@@H]21 ZINC001222262693 802663373 /nfs/dbraw/zinc/66/33/73/802663373.db2.gz SQCBLWANJRQXSA-ZBFHGGJFSA-N 0 3 304.390 2.019 20 30 DEEDHN C=CCOCC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001222631806 802718397 /nfs/dbraw/zinc/71/83/97/802718397.db2.gz ZMAFIDZIDSVCJY-UHFFFAOYSA-N 0 3 320.408 2.357 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCC1CCN(CC#CC)CC1)OCC ZINC001223373817 802785255 /nfs/dbraw/zinc/78/52/55/802785255.db2.gz FPWDHFLZBGZNJJ-KRWDZBQOSA-N 0 3 306.450 2.209 20 30 DEEDHN C=C(CO[C@@H]1CCN([C@H](C)c2ccccn2)C1)C(=O)OCC ZINC001224357894 802860515 /nfs/dbraw/zinc/86/05/15/802860515.db2.gz HAFUREOIBMOWOB-HUUCEWRRSA-N 0 3 304.390 2.353 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001225395517 802960606 /nfs/dbraw/zinc/96/06/06/802960606.db2.gz NXCCQCUQPMCVIU-MRVWCRGKSA-N 0 3 320.824 2.412 20 30 DEEDHN CCc1onc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C#N ZINC001225427757 802965249 /nfs/dbraw/zinc/96/52/49/802965249.db2.gz WGIXYXJUIXYJRE-KCPJHIHWSA-N 0 3 318.421 2.222 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC001225646823 802996058 /nfs/dbraw/zinc/99/60/58/802996058.db2.gz LBMMFMQNDRAAQP-OAHLLOKOSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001226474144 803114035 /nfs/dbraw/zinc/11/40/35/803114035.db2.gz IGZPPOGEQYYDRG-HUUCEWRRSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCOCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001226588740 803128870 /nfs/dbraw/zinc/12/88/70/803128870.db2.gz ANUTXXWBEQEEKY-UHFFFAOYSA-N 0 3 320.408 2.439 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC001226624578 803133378 /nfs/dbraw/zinc/13/33/78/803133378.db2.gz ACXPJMGETPLEBD-LBPRGKRZSA-N 0 3 321.371 2.248 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(C#N)ccc3C)C[C@H]1N2C ZINC001226879032 803171441 /nfs/dbraw/zinc/17/14/41/803171441.db2.gz VBGKLGSNVQJCAQ-LISAXSMJSA-N 0 3 314.385 2.412 20 30 DEEDHN C#CCCCC(=O)NC1CCN(CCOCC2CCC2)CC1 ZINC001227084762 803197448 /nfs/dbraw/zinc/19/74/48/803197448.db2.gz ISDFPIUWPUVXJE-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)CC ZINC001227972630 803301309 /nfs/dbraw/zinc/30/13/09/803301309.db2.gz DKVLAFKXKXCNHB-RBSFLKMASA-N 0 3 323.481 2.130 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(CCOCC2CC2)CC1 ZINC001228748173 803405529 /nfs/dbraw/zinc/40/55/29/803405529.db2.gz JXQBCQFAUAXBBI-HUUCEWRRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cccc(F)c2F)CC1 ZINC001228879568 803424336 /nfs/dbraw/zinc/42/43/36/803424336.db2.gz PKVGVYOHEIFOOF-UHFFFAOYSA-N 0 3 324.371 2.362 20 30 DEEDHN C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@H](C)N1CC#N ZINC001334384848 1150290332 /nfs/dbraw/zinc/29/03/32/1150290332.db2.gz QOAZVFRVZKZPSO-OKILXGFUSA-N 0 3 315.446 2.352 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001331427883 1149442135 /nfs/dbraw/zinc/44/21/35/1149442135.db2.gz WYEJHUCGYYAORO-CVEARBPZSA-N 0 3 312.417 2.019 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC(C)(C)C ZINC001331457791 1149467194 /nfs/dbraw/zinc/46/71/94/1149467194.db2.gz GOZJGYKRBDBZBS-ZIAGYGMSSA-N 0 3 311.470 2.082 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001370289187 1149478007 /nfs/dbraw/zinc/47/80/07/1149478007.db2.gz HPQXGYCGBYNZMS-UKRRQHHQSA-N 0 3 320.412 2.418 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCC(=O)N(C)C(C)C)CCC1 ZINC001331547743 1149525103 /nfs/dbraw/zinc/52/51/03/1149525103.db2.gz ORYJZEFZWMUFBG-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H](C)CCNC(=O)[C@H](C)C#N ZINC001420070693 1169137821 /nfs/dbraw/zinc/13/78/21/1169137821.db2.gz XHLMRDSNIIOHTK-VXGBXAGGSA-N 0 3 306.410 2.251 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001574962178 1069310176 /nfs/dbraw/zinc/31/01/76/1069310176.db2.gz GWSPDLADNVGVSC-PMPSAXMXSA-N 0 3 318.417 2.215 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC001574971765 1069314860 /nfs/dbraw/zinc/31/48/60/1069314860.db2.gz HWVZWBGQYAUIPW-XJKSGUPXSA-N 0 3 315.417 2.028 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001331817815 1149703151 /nfs/dbraw/zinc/70/31/51/1149703151.db2.gz AHSIHGAUOXLNJN-SFHVURJKSA-N 0 3 310.397 2.220 20 30 DEEDHN N#C[C@@H]1CC[C@@H](OC(=O)C2CCN(Cc3ccccc3)C2=O)C1 ZINC001345098559 1150864707 /nfs/dbraw/zinc/86/47/07/1150864707.db2.gz SEZDYXOVTCZVGQ-BZUAXINKSA-N 0 3 312.369 2.271 20 30 DEEDHN CC(C)(C)OCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC001346213679 1150951898 /nfs/dbraw/zinc/95/18/98/1150951898.db2.gz NCGXUTYQRRWMHB-UHFFFAOYSA-N 0 3 324.446 2.127 20 30 DEEDHN CCCOCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001331861029 1149735761 /nfs/dbraw/zinc/73/57/61/1149735761.db2.gz RHBAZJNQRLHQFW-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H](CN)c1ccccc1 ZINC001575031035 1069337731 /nfs/dbraw/zinc/33/77/31/1069337731.db2.gz IDHARPBNTXRNQZ-INIZCTEOSA-N 0 3 307.353 2.442 20 30 DEEDHN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001575118163 1069370738 /nfs/dbraw/zinc/37/07/38/1069370738.db2.gz BTNMAXUZHFCVMB-YUGHPYOKSA-N 0 3 303.450 2.457 20 30 DEEDHN C#CC[N@@H+](CC)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001602720315 1069736351 /nfs/dbraw/zinc/73/63/51/1069736351.db2.gz UJACCPGMWHFGFB-UHFFFAOYSA-N 0 3 320.194 2.084 20 30 DEEDHN C#CC[N@H+](CC)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001602720315 1069736362 /nfs/dbraw/zinc/73/63/62/1069736362.db2.gz UJACCPGMWHFGFB-UHFFFAOYSA-N 0 3 320.194 2.084 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC001524044887 1069799413 /nfs/dbraw/zinc/79/94/13/1069799413.db2.gz FUVGLSCMBKSPMU-HPAJIGNASA-N 0 3 316.357 2.014 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCNC(=O)CN(C)C(C)C)CC1 ZINC001528896005 1070783318 /nfs/dbraw/zinc/78/33/18/1070783318.db2.gz IJHSHQWKUVPOCJ-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1nn(C)cc1Cl ZINC001283175382 1145303326 /nfs/dbraw/zinc/30/33/26/1145303326.db2.gz AWRAUXVGOCPQDV-JTQLQIEISA-N 0 3 319.236 2.314 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001529313473 1070935744 /nfs/dbraw/zinc/93/57/44/1070935744.db2.gz ZIEQGANUPXCFPK-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1nc(C)oc1C ZINC001328781415 1148834601 /nfs/dbraw/zinc/83/46/01/1148834601.db2.gz SNNIUMDZCWQOKK-HNNXBMFYSA-N 0 3 321.421 2.030 20 30 DEEDHN Cc1ncccc1CN1CCCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001369063614 1148840060 /nfs/dbraw/zinc/84/00/60/1148840060.db2.gz SKNZCTSEMCGZCG-PBHICJAKSA-N 0 3 314.433 2.411 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1CC(CNCc2cc(C)n(C)n2)C1 ZINC001328904951 1148846759 /nfs/dbraw/zinc/84/67/59/1148846759.db2.gz OIOUVKFTDFSJDY-QQFBHYJXSA-N 0 3 318.465 2.315 20 30 DEEDHN C[C@@H](NC(=O)C(F)F)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001328967111 1148853063 /nfs/dbraw/zinc/85/30/63/1148853063.db2.gz BNORNMKQZRDIRB-WDEREUQCSA-N 0 3 314.763 2.439 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 ZINC001500012477 1058430385 /nfs/dbraw/zinc/43/03/85/1058430385.db2.gz FQOOYDIDIXRJTN-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCNC[C@@H](NC(=O)[C@@H](C)OC)c1ccc2ccccc2c1 ZINC001500059741 1058460531 /nfs/dbraw/zinc/46/05/31/1058460531.db2.gz HLOWDBLXQLMUAM-RDTXWAMCSA-N 0 3 310.397 2.255 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@H](C)OC)C2 ZINC001500156290 1058526685 /nfs/dbraw/zinc/52/66/85/1058526685.db2.gz MOEJKRMOULSPSG-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)OCC(C)C)C2 ZINC001500156293 1058527996 /nfs/dbraw/zinc/52/79/96/1058527996.db2.gz MPMDHOQJJAPISO-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(CCCOc2ccccc2)C1 ZINC001500197469 1058582550 /nfs/dbraw/zinc/58/25/50/1058582550.db2.gz JVZVPVOMESDFFU-MAUKXSAKSA-N 0 3 315.417 2.196 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC001500501654 1058860218 /nfs/dbraw/zinc/86/02/18/1058860218.db2.gz DOJDLFOJHITHEC-SFHVURJKSA-N 0 3 316.449 2.237 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001500505204 1058862676 /nfs/dbraw/zinc/86/26/76/1058862676.db2.gz KYBFDPPHISZUER-LJQANCHMSA-N 0 3 324.428 2.418 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)CCCCc2ccccc2)C1 ZINC001500717675 1059035170 /nfs/dbraw/zinc/03/51/70/1059035170.db2.gz CYNIICNXOMAXSR-IBGZPJMESA-N 0 3 316.445 2.138 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001500762036 1059071142 /nfs/dbraw/zinc/07/11/42/1059071142.db2.gz ARUWPMXTQJJVLJ-QGZVFWFLSA-N 0 3 322.474 2.398 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001500762035 1059073264 /nfs/dbraw/zinc/07/32/64/1059073264.db2.gz ARUWPMXTQJJVLJ-KRWDZBQOSA-N 0 3 322.474 2.398 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)NCc2cnns2)C1 ZINC001501050708 1059234416 /nfs/dbraw/zinc/23/44/16/1059234416.db2.gz MUTXITOEAYWEFP-QWHCGFSZSA-N 0 3 322.478 2.467 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cncs1 ZINC001501161531 1059338762 /nfs/dbraw/zinc/33/87/62/1059338762.db2.gz XHVKZFGSTHSXIT-FQUUOJAGSA-N 0 3 318.446 2.162 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1oncc1C ZINC001501199886 1059369281 /nfs/dbraw/zinc/36/92/81/1059369281.db2.gz HBEULYOVONWIFI-UHFFFAOYSA-N 0 3 311.385 2.238 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1C ZINC001501374736 1059476600 /nfs/dbraw/zinc/47/66/00/1059476600.db2.gz VWBPXGAYCIQHPB-DLBZAZTESA-N 0 3 318.417 2.470 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001329026936 1148858941 /nfs/dbraw/zinc/85/89/41/1148858941.db2.gz JRZCUVCPVMMTEE-SJORKVTESA-N 0 3 323.440 2.482 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn(-c2ccccc2)cn1 ZINC001467728788 1059694166 /nfs/dbraw/zinc/69/41/66/1059694166.db2.gz QDSDMHKTWCGDKX-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCCC2(C)C)CCC1 ZINC001501991544 1059839963 /nfs/dbraw/zinc/83/99/63/1059839963.db2.gz JEAVJUDARKZLIZ-HNNXBMFYSA-N 0 3 306.450 2.091 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2cnn(C)c2)CCC1 ZINC001501997571 1059851278 /nfs/dbraw/zinc/85/12/78/1059851278.db2.gz NXSFXBVJLBRSKH-MRXNPFEDSA-N 0 3 304.438 2.151 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2cc(C)c(CC)s2)CCO1 ZINC001502090558 1059921369 /nfs/dbraw/zinc/92/13/69/1059921369.db2.gz WMCOJEJYLGDYRT-CQSZACIVSA-N 0 3 320.458 2.073 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCCN(C)CC#CCOC)CC1 ZINC001502371224 1060078920 /nfs/dbraw/zinc/07/89/20/1060078920.db2.gz DHHVPFZMXNLZAK-UHFFFAOYSA-N 0 3 306.450 2.163 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)COC ZINC001502521535 1060164260 /nfs/dbraw/zinc/16/42/60/1060164260.db2.gz CVFBPEOGGKMOCN-MAUKXSAKSA-N 0 3 316.445 2.388 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CC(C)(C)C)CCOCC1 ZINC001502612247 1060197181 /nfs/dbraw/zinc/19/71/81/1060197181.db2.gz ROKXMGVMIDYEFN-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cn(C)nc1C1CCCC1 ZINC001327258663 1148504770 /nfs/dbraw/zinc/50/47/70/1148504770.db2.gz UFDYUSOJUABJPY-UHFFFAOYSA-N 0 3 316.449 2.105 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001502890925 1060368930 /nfs/dbraw/zinc/36/89/30/1060368930.db2.gz IGTXXJCENSCLBS-GXTWGEPZSA-N 0 3 316.873 2.364 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccnc(OC)c1 ZINC001329048502 1148860870 /nfs/dbraw/zinc/86/08/70/1148860870.db2.gz NDKDMURLXPWGKU-ZIAGYGMSSA-N 0 3 305.422 2.429 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)C[C@H]1C ZINC001502946884 1060405017 /nfs/dbraw/zinc/40/50/17/1060405017.db2.gz BVJJUWMNTDBYKO-ZIAGYGMSSA-N 0 3 305.426 2.134 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)C[C@H]1C ZINC001502946884 1060405023 /nfs/dbraw/zinc/40/50/23/1060405023.db2.gz BVJJUWMNTDBYKO-ZIAGYGMSSA-N 0 3 305.426 2.134 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCn2cnc3ccccc32)C[C@@H]1C ZINC001502954548 1060408926 /nfs/dbraw/zinc/40/89/26/1060408926.db2.gz YQEKAHRTWMFXHF-JKSUJKDBSA-N 0 3 324.428 2.029 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1(F)CCCC1 ZINC001505437715 1060596551 /nfs/dbraw/zinc/59/65/51/1060596551.db2.gz XPHCXBKXZXKWBE-OAHLLOKOSA-N 0 3 312.429 2.394 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC001505463043 1060636297 /nfs/dbraw/zinc/63/62/97/1060636297.db2.gz XPABJZIRSCVMCM-OAHLLOKOSA-N 0 3 316.401 2.180 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001505506262 1060664952 /nfs/dbraw/zinc/66/49/52/1060664952.db2.gz PAZSBEFTTDBOGM-UHFFFAOYSA-N 0 3 324.856 2.489 20 30 DEEDHN COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001505601906 1060764538 /nfs/dbraw/zinc/76/45/38/1060764538.db2.gz BRMFPPKEAZTANO-KBPBESRZSA-N 0 3 317.433 2.123 20 30 DEEDHN COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001505601908 1060765712 /nfs/dbraw/zinc/76/57/12/1060765712.db2.gz BRMFPPKEAZTANO-UONOGXRCSA-N 0 3 317.433 2.123 20 30 DEEDHN C#CCC[C@@H](O)CNCc1c(C)nn(CC(C)C)c1OCC ZINC001474253908 1060836017 /nfs/dbraw/zinc/83/60/17/1060836017.db2.gz RZSONYJRCGEYRV-OAHLLOKOSA-N 0 3 307.438 2.110 20 30 DEEDHN C#CCC[C@H](O)CNCc1c(C)nn(CC(C)C)c1OCC ZINC001474253907 1060836409 /nfs/dbraw/zinc/83/64/09/1060836409.db2.gz RZSONYJRCGEYRV-HNNXBMFYSA-N 0 3 307.438 2.110 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1nccs1 ZINC001505716520 1060895446 /nfs/dbraw/zinc/89/54/46/1060895446.db2.gz IFRYBNGNSXKZCX-KGLIPLIRSA-N 0 3 313.426 2.291 20 30 DEEDHN Cc1nc(CNC2CCC(N(C)C(=O)[C@H](C)C#N)CC2)cs1 ZINC001505777506 1060955485 /nfs/dbraw/zinc/95/54/85/1060955485.db2.gz XEXJFNBOIPHLTP-NUYPLMSZSA-N 0 3 320.462 2.470 20 30 DEEDHN CN(CC(C)(C)CNCc1nccs1)C(=O)C#CC1CC1 ZINC001505811498 1060992182 /nfs/dbraw/zinc/99/21/82/1060992182.db2.gz IOCNLPIKYMHIRT-UHFFFAOYSA-N 0 3 305.447 2.131 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccccc1N(C)C ZINC001505914538 1061127382 /nfs/dbraw/zinc/12/73/82/1061127382.db2.gz NFXZPSFIZVSXHY-MRXNPFEDSA-N 0 3 315.461 2.349 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cccc2[nH]ccc21 ZINC001506005483 1061252338 /nfs/dbraw/zinc/25/23/38/1061252338.db2.gz BLOKRGCSUPEHLN-CQSZACIVSA-N 0 3 315.417 2.421 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2nccs2)C1 ZINC001479343871 1061401577 /nfs/dbraw/zinc/40/15/77/1061401577.db2.gz FARSTZHKZUQLDS-TXEJJXNPSA-N 0 3 313.854 2.313 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cccnn1 ZINC001479526670 1061494862 /nfs/dbraw/zinc/49/48/62/1061494862.db2.gz GMUSLTMGJIADAY-DOMZBBRYSA-N 0 3 322.840 2.450 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](OCC)C(C)C)CC(C)(C)C1 ZINC001479744926 1061672936 /nfs/dbraw/zinc/67/29/36/1061672936.db2.gz GXUREWWOJAPYFO-CVEARBPZSA-N 0 3 308.466 2.288 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(CNCc2cncs2)CCCCC1 ZINC001506500183 1062050910 /nfs/dbraw/zinc/05/09/10/1062050910.db2.gz NNFCEKQOLFLOMP-LBPRGKRZSA-N 0 3 306.435 2.211 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CCC)OCC)CC1 ZINC001479984298 1062144830 /nfs/dbraw/zinc/14/48/30/1062144830.db2.gz RSMTVPVBHXQMFL-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](NCc1ccc(F)cc1F)C1CC1 ZINC001480008939 1062179021 /nfs/dbraw/zinc/17/90/21/1062179021.db2.gz TYCOQOJDPWPAFI-BONVTDFDSA-N 0 3 307.344 2.109 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC001506617940 1062197848 /nfs/dbraw/zinc/19/78/48/1062197848.db2.gz FIWNMEIAXFAMNL-CQSZACIVSA-N 0 3 320.408 2.387 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C[C@H](C)c2ccncc2)C(C)(C)C1 ZINC001506740226 1062338469 /nfs/dbraw/zinc/33/84/69/1062338469.db2.gz BGTKCBBPDUEFKA-DOTOQJQBSA-N 0 3 313.445 2.425 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC001506819860 1062408207 /nfs/dbraw/zinc/40/82/07/1062408207.db2.gz ZXEZUFAUNCLZFJ-OSYLJGHBSA-N 0 3 313.445 2.478 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001329113134 1148866122 /nfs/dbraw/zinc/86/61/22/1148866122.db2.gz WCGWGJVXNOKNIN-OLZOCXBDSA-N 0 3 321.469 2.441 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001480258231 1062540379 /nfs/dbraw/zinc/54/03/79/1062540379.db2.gz RFKMOKCGVTYCIV-CHWSQXEVSA-N 0 3 304.356 2.426 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001480268068 1062570462 /nfs/dbraw/zinc/57/04/62/1062570462.db2.gz GNWRMWHDMFUEIR-MRXNPFEDSA-N 0 3 302.393 2.220 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1CCn1cccn1 ZINC001480324799 1062653403 /nfs/dbraw/zinc/65/34/03/1062653403.db2.gz POZIGYJXRMEEMU-IRXDYDNUSA-N 0 3 318.465 2.456 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001480332494 1062668251 /nfs/dbraw/zinc/66/82/51/1062668251.db2.gz YNZXTNPULOYHSD-SJORKVTESA-N 0 3 314.429 2.448 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(C)(C)F)NCc1ccc(C#N)c(F)c1 ZINC001507044784 1062720684 /nfs/dbraw/zinc/72/06/84/1062720684.db2.gz YRSOVDFCWNZUMR-NSHDSACASA-N 0 3 309.360 2.382 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1(C)CCCCCC1 ZINC001507091492 1062818341 /nfs/dbraw/zinc/81/83/41/1062818341.db2.gz LFAMMJYDFILHRP-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C[C@H](CNC(=O)c1ccccc1[O-])[NH2+]Cc1cccc(C#N)c1 ZINC001480426680 1062845492 /nfs/dbraw/zinc/84/54/92/1062845492.db2.gz QJFUPAJDQSZRKG-CYBMUJFWSA-N 0 3 309.369 2.172 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1cn(C)c2ccccc12 ZINC001507116498 1062863074 /nfs/dbraw/zinc/86/30/74/1062863074.db2.gz SLDMBYFDRUFWOF-OAHLLOKOSA-N 0 3 311.429 2.181 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)C#CC(C)C)cc1F ZINC001480456844 1062892877 /nfs/dbraw/zinc/89/28/77/1062892877.db2.gz DEDYGZGJUVXLBW-ZDUSSCGKSA-N 0 3 306.381 2.088 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc2sccc2c1 ZINC001480561213 1063037144 /nfs/dbraw/zinc/03/71/44/1063037144.db2.gz DWZHTHOWKRBHQW-ZDUSSCGKSA-N 0 3 316.426 2.259 20 30 DEEDHN CCc1cc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)no1 ZINC001480573573 1063053986 /nfs/dbraw/zinc/05/39/86/1063053986.db2.gz MXGQQBVXBFXWKO-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1ccsc1C(F)(F)F ZINC001480581495 1063071960 /nfs/dbraw/zinc/07/19/60/1063071960.db2.gz ZXWMOLMCWOGTDQ-SECBINFHSA-N 0 3 304.337 2.498 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2ccc(Cl)nc2)C[C@H]1C ZINC001507311807 1063075812 /nfs/dbraw/zinc/07/58/12/1063075812.db2.gz ADTCGJXFJGQKHY-HIFRSBDPSA-N 0 3 319.836 2.473 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001507310661 1063076369 /nfs/dbraw/zinc/07/63/69/1063076369.db2.gz RRNCXOLRQMEZOI-UKRRQHHQSA-N 0 3 324.380 2.009 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NCC(=O)NCC(C)(C)C)C[C@H]1C ZINC001507311071 1063076415 /nfs/dbraw/zinc/07/64/15/1063076415.db2.gz UNRLHJQOPAXIOO-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cncc3ccccc32)C1 ZINC001507311976 1063079136 /nfs/dbraw/zinc/07/91/36/1063079136.db2.gz DYJDIBIZUAIRDG-MAUKXSAKSA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001507326257 1063097843 /nfs/dbraw/zinc/09/78/43/1063097843.db2.gz KSQQXAVDCHBNQB-LSDHHAIUSA-N 0 3 316.449 2.460 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)[C@H](C)SC)CCC[C@H]12 ZINC001507341573 1063127121 /nfs/dbraw/zinc/12/71/21/1063127121.db2.gz PHOAFIIKUBHGBR-OFQRWUPVSA-N 0 3 312.479 2.054 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](CCC)OCC)CCC[C@@H]12 ZINC001507346690 1063133039 /nfs/dbraw/zinc/13/30/39/1063133039.db2.gz DVFLOTBWCGTJGJ-LZLYRXPVSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001480771410 1063322628 /nfs/dbraw/zinc/32/26/28/1063322628.db2.gz SRAASQSUGQMAJS-SNVBAGLBSA-N 0 3 322.796 2.119 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001507674084 1063378982 /nfs/dbraw/zinc/37/89/82/1063378982.db2.gz HPYUXDFGUIDUJU-GOSISDBHSA-N 0 3 316.445 2.044 20 30 DEEDHN C#CCCN(C)CCN(C(=O)CCc1ccncc1)C(C)C ZINC001507811931 1063424628 /nfs/dbraw/zinc/42/46/28/1063424628.db2.gz CFCVVTNHAPSSEQ-UHFFFAOYSA-N 0 3 301.434 2.206 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)Cc1nc(CC)c[nH]1)C(C)C ZINC001507809182 1063424840 /nfs/dbraw/zinc/42/48/40/1063424840.db2.gz KETUMYRFQXERGV-UHFFFAOYSA-N 0 3 306.454 2.260 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CC[C@H]2CCCO2)CC1 ZINC001508057439 1063524412 /nfs/dbraw/zinc/52/44/12/1063524412.db2.gz UJFAVVRTILZHNT-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001508063225 1063529591 /nfs/dbraw/zinc/52/95/91/1063529591.db2.gz CHKBIADVVMJZTI-OAHLLOKOSA-N 0 3 306.450 2.065 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)C2CC(C)(C)C2)CC1 ZINC001508077533 1063538111 /nfs/dbraw/zinc/53/81/11/1063538111.db2.gz QUFICRHKCPXAQK-HNNXBMFYSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001493106564 1063570575 /nfs/dbraw/zinc/57/05/75/1063570575.db2.gz GSZFVBURGNGCSM-KGLIPLIRSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CC[C@@H]3CCCCO3)CC2)CC1 ZINC001508164331 1063586438 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C=CCCCC(=O)N1CC[C@@H](NCc2cnns2)C[C@H]1C ZINC001569522049 1065566097 /nfs/dbraw/zinc/56/60/97/1065566097.db2.gz KIIBEXQLUFFFQF-CHWSQXEVSA-N 0 3 308.451 2.364 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H](NCC(=C)Cl)C(C)C)c1 ZINC001496603678 1065588055 /nfs/dbraw/zinc/58/80/55/1065588055.db2.gz UJXBXHKHGASLGN-OAHLLOKOSA-N 0 3 305.809 2.159 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnn2ccccc12)C(C)C ZINC001496615239 1065594474 /nfs/dbraw/zinc/59/44/74/1065594474.db2.gz WUAULRQXPJKVRS-CQSZACIVSA-N 0 3 320.824 2.431 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)Cc2ccccc2C)C1 ZINC001569653231 1065651908 /nfs/dbraw/zinc/65/19/08/1065651908.db2.gz IVJCGDMSJANUAA-LJQANCHMSA-N 0 3 316.445 2.321 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCc2ccncc2)C1 ZINC001569715879 1065687350 /nfs/dbraw/zinc/68/73/50/1065687350.db2.gz KUQBTLAPXWVBJS-IBGZPJMESA-N 0 3 313.445 2.256 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cscc2Cl)C1 ZINC001569751669 1065707862 /nfs/dbraw/zinc/70/78/62/1065707862.db2.gz VNFALADPACDLSF-CQSZACIVSA-N 0 3 314.838 2.144 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)Cc1c(C)nn(C(C)C)c1C ZINC001496818040 1065733724 /nfs/dbraw/zinc/73/37/24/1065733724.db2.gz HMXORMQWJBFUGR-UHFFFAOYSA-N 0 3 306.454 2.200 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ocnc2C)C1 ZINC001496856402 1065760249 /nfs/dbraw/zinc/76/02/49/1065760249.db2.gz DDECQUMXOFDZRT-HZPDHXFCSA-N 0 3 315.417 2.209 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2CCOCC(F)F ZINC001569904344 1065804811 /nfs/dbraw/zinc/80/48/11/1065804811.db2.gz JORKSAUYDZSJBW-ZIAGYGMSSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC001626750769 1078261294 /nfs/dbraw/zinc/26/12/94/1078261294.db2.gz GWLRTKLBUNQEGU-UHFFFAOYSA-N 0 3 324.856 2.381 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC001626751105 1078261385 /nfs/dbraw/zinc/26/13/85/1078261385.db2.gz SXEQTOOUJBMFAS-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cnccn2)cc1 ZINC001570030370 1065895329 /nfs/dbraw/zinc/89/53/29/1065895329.db2.gz 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1065961968 /nfs/dbraw/zinc/96/19/68/1065961968.db2.gz SBZKZDRFONTYTR-MRVPVSSYSA-N 0 3 324.734 2.279 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)CC1 ZINC001570186906 1065964270 /nfs/dbraw/zinc/96/42/70/1065964270.db2.gz DCMIKFVIORKXGS-DLBZAZTESA-N 0 3 316.449 2.055 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc2nccnc21 ZINC001570214926 1065975521 /nfs/dbraw/zinc/97/55/21/1065975521.db2.gz XBZPZAVXVPEIQX-UHFFFAOYSA-N 0 3 310.401 2.047 20 30 DEEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)c1nccs1 ZINC001497300519 1066014081 /nfs/dbraw/zinc/01/40/81/1066014081.db2.gz ZEPWJVKTEJEMDT-GFCCVEGCSA-N 0 3 314.414 2.313 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1ccsn1 ZINC001497407847 1066076764 /nfs/dbraw/zinc/07/67/64/1066076764.db2.gz HOLYEVRMMSCXGJ-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CSCCC)CCO2 ZINC001570477878 1066091146 /nfs/dbraw/zinc/09/11/46/1066091146.db2.gz BUMZIRPYWFGISL-UHFFFAOYSA-N 0 3 312.479 2.009 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)Cc1cccs1 ZINC001570524565 1066104461 /nfs/dbraw/zinc/10/44/61/1066104461.db2.gz WRGYZUKPZXRKTF-OAHLLOKOSA-N 0 3 322.474 2.416 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cc1ccc2cnccc2c1 ZINC001497632162 1066198362 /nfs/dbraw/zinc/19/83/62/1066198362.db2.gz IGPAUMCYNSBUMY-PLNGDYQASA-N 0 3 307.397 2.063 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cc(C)n(C(C)C)c1C ZINC001498183749 1066545637 /nfs/dbraw/zinc/54/56/37/1066545637.db2.gz ZJVGHQLFWARAOH-AWEZNQCLSA-N 0 3 319.449 2.044 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC1(F)F ZINC001498274757 1066609995 /nfs/dbraw/zinc/60/99/95/1066609995.db2.gz XJNUYSBLDHCIIK-BXUZGUMPSA-N 0 3 307.344 2.150 20 30 DEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001576885150 1066712025 /nfs/dbraw/zinc/71/20/25/1066712025.db2.gz BDCXDTBIJSUNMH-NWDGAFQWSA-N 0 3 310.319 2.266 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001498807002 1066903314 /nfs/dbraw/zinc/90/33/14/1066903314.db2.gz ZMMDLUNYZDVREW-KCTSRDHCSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001498990910 1067005062 /nfs/dbraw/zinc/00/50/62/1067005062.db2.gz IVCBJPXQCZJVLV-NSHDSACASA-N 0 3 310.829 2.396 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001499100784 1067093501 /nfs/dbraw/zinc/09/35/01/1067093501.db2.gz RTOBQTRYOAEIFH-KGLIPLIRSA-N 0 3 304.438 2.233 20 30 DEEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1C ZINC001499108188 1067101343 /nfs/dbraw/zinc/10/13/43/1067101343.db2.gz MPMAVZTWBPHJFG-JKSUJKDBSA-N 0 3 323.481 2.158 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001499139254 1067114514 /nfs/dbraw/zinc/11/45/14/1067114514.db2.gz YTAMLNKQBTZLGY-GOEBONIOSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001499142263 1067116231 /nfs/dbraw/zinc/11/62/31/1067116231.db2.gz YFWPAEGWKDEITE-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cnc(-c2ccco2)s1 ZINC001266987086 1078482228 /nfs/dbraw/zinc/48/22/28/1078482228.db2.gz IWMXGNUJJIAXTL-LLVKDONJSA-N 0 3 303.387 2.134 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)Cc1ccc2ccccc2c1 ZINC001266991406 1078484921 /nfs/dbraw/zinc/48/49/21/1078484921.db2.gz JNESMRUYRKEILD-INIZCTEOSA-N 0 3 324.424 2.126 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC001266998433 1078489140 /nfs/dbraw/zinc/48/91/40/1078489140.db2.gz KLJSOTFWVGOWLV-AWEZNQCLSA-N 0 3 322.474 2.123 20 30 DEEDHN Cc1cc(C#N)cc(C)c1C(=O)Nc1cnc2c(c1)CNCC2 ZINC001579554126 1067367810 /nfs/dbraw/zinc/36/78/10/1067367810.db2.gz POJSRBQQCBNGTN-UHFFFAOYSA-N 0 3 306.369 2.468 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc(C)c1C#N ZINC001579563599 1067371838 /nfs/dbraw/zinc/37/18/38/1067371838.db2.gz LCJKKMPWKXRILQ-WFASDCNBSA-N 0 3 301.390 2.018 20 30 DEEDHN Cc1ccc(CC[C@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)o1 ZINC001579685339 1067404419 /nfs/dbraw/zinc/40/44/19/1067404419.db2.gz LPECXSIMZYCWEU-MNSPSGFLSA-N 0 3 315.417 2.165 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001267038736 1078521283 /nfs/dbraw/zinc/52/12/83/1078521283.db2.gz YSSSAAJNPYSQMS-HNNXBMFYSA-N 0 3 303.406 2.033 20 30 DEEDHN Cn1ccc2ccc(NC(=O)C3CC4(C3)CNC[C@H]4C#N)cc21 ZINC001579975768 1067465242 /nfs/dbraw/zinc/46/52/42/1067465242.db2.gz QASAAGGOSZKVEV-TXKKKEFDSA-N 0 3 308.385 2.256 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(F)ccc1OC(F)F ZINC001580048935 1067481719 /nfs/dbraw/zinc/48/17/19/1067481719.db2.gz BANKWQWCQNGWAA-VIFPVBQESA-N 0 3 301.268 2.387 20 30 DEEDHN [NH3+]C[C@@H]1OCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001580273213 1067548771 /nfs/dbraw/zinc/54/87/71/1067548771.db2.gz GJXLHCJBOJYZOX-NEPJUHHUSA-N 0 3 319.188 2.075 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2scnc2CC)C1 ZINC001267104482 1078580444 /nfs/dbraw/zinc/58/04/44/1078580444.db2.gz QVQCZPWZVUYUJE-CYBMUJFWSA-N 0 3 305.447 2.265 20 30 DEEDHN CC(C)[C@H](CN(C)C)NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001639635517 1078622558 /nfs/dbraw/zinc/62/25/58/1078622558.db2.gz OYIDRWSRSOHNRL-XMELGKRDSA-N 0 3 306.381 2.110 20 30 DEEDHN Cc1cc(CN2CCC[C@@H]2CCCNC(=O)C#CC2CC2)on1 ZINC001267164347 1078627136 /nfs/dbraw/zinc/62/71/36/1078627136.db2.gz IGGLVYVJMFZKOA-INIZCTEOSA-N 0 3 315.417 2.257 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001570534366 1067988707 /nfs/dbraw/zinc/98/87/07/1067988707.db2.gz IFDUSYBVLNIXHG-LSDHHAIUSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001570542060 1067995855 /nfs/dbraw/zinc/99/58/55/1067995855.db2.gz OCBMJGDHQYWHTF-OAHLLOKOSA-N 0 3 304.438 2.115 20 30 DEEDHN C=C(C)CCC(=O)NC1CC(CNCc2nccnc2C)C1 ZINC001570562398 1068007612 /nfs/dbraw/zinc/00/76/12/1068007612.db2.gz DXDVTTVOUVOEIF-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN CCOCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570586775 1068021022 /nfs/dbraw/zinc/02/10/22/1068021022.db2.gz CMCOTVRLCHFNEG-KBPBESRZSA-N 0 3 322.836 2.211 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001570591691 1068022308 /nfs/dbraw/zinc/02/23/08/1068022308.db2.gz AVXIPWDSNKAXPD-KBPBESRZSA-N 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CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001571479277 1068332892 /nfs/dbraw/zinc/33/28/92/1068332892.db2.gz NVQKHJDRZQHXPA-WBVHZDCISA-N 0 3 309.413 2.464 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccc(OC)cn1)C(C)C ZINC001571614211 1068439912 /nfs/dbraw/zinc/43/99/12/1068439912.db2.gz YVGPFHILFMNCBE-UHFFFAOYSA-N 0 3 319.449 2.378 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H](CNCCF)C(C)(C)C ZINC001571636726 1068452921 /nfs/dbraw/zinc/45/29/21/1068452921.db2.gz HEKCOBCBNZCQLM-MRXNPFEDSA-N 0 3 304.409 2.300 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001571644643 1068456890 /nfs/dbraw/zinc/45/68/90/1068456890.db2.gz ZPESBNNJUOTIIM-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C[C@H](OCC)C(=C)C)CC2)CC1 ZINC001571669220 1068471441 /nfs/dbraw/zinc/47/14/41/1068471441.db2.gz SFGULMRYZFKKRY-KRWDZBQOSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2ccc(F)cc2)CC1 ZINC001571680011 1068475435 /nfs/dbraw/zinc/47/54/35/1068475435.db2.gz 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/nfs/dbraw/zinc/01/58/94/1075015894.db2.gz GUAFHQZZZNUWBT-OAHLLOKOSA-N 0 3 305.422 2.333 20 30 DEEDHN C=CCC[C@H](C)N1CC(NC(=O)CCCn2ccnc2C)C1 ZINC001267661466 1079352080 /nfs/dbraw/zinc/35/20/80/1079352080.db2.gz BBLLHFMNWBRGJL-AWEZNQCLSA-N 0 3 304.438 2.127 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN(C)[C@H](CCCC)C(N)=O)C1 ZINC001267669758 1079357214 /nfs/dbraw/zinc/35/72/14/1079357214.db2.gz IVZNRWQLJXVBHX-HUUCEWRRSA-N 0 3 323.481 2.023 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)NCCOc2c(C)cccc2C)C1 ZINC001560136532 1075132863 /nfs/dbraw/zinc/13/28/63/1075132863.db2.gz WJLAKKYIMDEAJS-KRWDZBQOSA-N 0 3 314.429 2.144 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc(C)c(OC)c3)C2)C1 ZINC001565498434 1075179065 /nfs/dbraw/zinc/17/90/65/1075179065.db2.gz CQFGDQCKQKSNSA-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cccc4ncccc34)C2)C1 ZINC001565498494 1075179632 /nfs/dbraw/zinc/17/96/32/1075179632.db2.gz IDTNGDYKMBHYIV-UHFFFAOYSA-N 0 3 321.424 2.498 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC001565503890 1075181249 /nfs/dbraw/zinc/18/12/49/1075181249.db2.gz DYUNICHRENCIJH-ROUUACIJSA-N 0 3 311.429 2.422 20 30 DEEDHN CC[C@H](CC(F)(F)F)C(=O)NCCCN(C)CC#CCOC ZINC001566508834 1075265663 /nfs/dbraw/zinc/26/56/63/1075265663.db2.gz QZSKRKPLVLYKJS-CYBMUJFWSA-N 0 3 322.371 2.053 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1c(C)cc(C)cc1C ZINC001566513441 1075266332 /nfs/dbraw/zinc/26/63/32/1075266332.db2.gz FLMKAMQGSFXHGC-UHFFFAOYSA-N 0 3 316.445 2.313 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CCCN(C[C@H](C)O)C2)CCCCC1 ZINC001566630819 1075300876 /nfs/dbraw/zinc/30/08/76/1075300876.db2.gz ZFASXYPLBYDQRI-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN O=C(NC[C@@H](NCC#Cc1ccccc1)C1CC1)c1cccnc1 ZINC001566702798 1075321091 /nfs/dbraw/zinc/32/10/91/1075321091.db2.gz UXSHNQPSHDRPDE-LJQANCHMSA-N 0 3 319.408 2.231 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001566712109 1075323809 /nfs/dbraw/zinc/32/38/09/1075323809.db2.gz BPJGVCSXWCZBOV-SMDDNHRTSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](NCc2oc(C)nc2C)C1 ZINC001566785162 1075343844 /nfs/dbraw/zinc/34/38/44/1075343844.db2.gz FUBLWBXZQQUTAQ-BPLDGKMQSA-N 0 3 321.421 2.009 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@@H]21 ZINC001566823825 1075353721 /nfs/dbraw/zinc/35/37/21/1075353721.db2.gz ALMOWBHCMZCECW-FXIPVCQGSA-N 0 3 324.852 2.092 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001566850437 1075362385 /nfs/dbraw/zinc/36/23/85/1075362385.db2.gz DRCSDIQLAOXKET-BETUJISGSA-N 0 3 305.426 2.021 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1CCc1cnn(C)c1 ZINC001566923868 1075388145 /nfs/dbraw/zinc/38/81/45/1075388145.db2.gz BMTFIPZOGROPTH-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)NCC(=O)N(C)C1CCC(C)CC1 ZINC001567001946 1075413308 /nfs/dbraw/zinc/41/33/08/1075413308.db2.gz KGNPXAWKTPNLAF-PCKAHOCUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cccc(OCC(C)C)c1 ZINC001567077299 1075427860 /nfs/dbraw/zinc/42/78/60/1075427860.db2.gz MWNYKVUJBAPWKZ-HNNXBMFYSA-N 0 3 302.418 2.453 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC001567203374 1075462758 /nfs/dbraw/zinc/46/27/58/1075462758.db2.gz WQUKGXWRTGYELF-KRWDZBQOSA-N 0 3 302.393 2.314 20 30 DEEDHN Cc1cc(CN2CCC[C@@H]2CCCNC(=O)[C@@H](C)C#N)on1 ZINC001567246372 1075473421 /nfs/dbraw/zinc/47/34/21/1075473421.db2.gz DVUQNFOZBOJYRK-JSGCOSHPSA-N 0 3 304.394 2.004 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN[C@@H](C)c1ccccc1Cl ZINC001481229294 1079437666 /nfs/dbraw/zinc/43/76/66/1079437666.db2.gz QNTFPOARHRXHOA-KBPBESRZSA-N 0 3 322.836 2.487 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2cnccc2C)C1 ZINC001267786355 1079496029 /nfs/dbraw/zinc/49/60/29/1079496029.db2.gz VUNQDDWRJTVWNB-MRXNPFEDSA-N 0 3 317.433 2.129 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2ccnc(C)n2)C1 ZINC001267788247 1079496664 /nfs/dbraw/zinc/49/66/64/1079496664.db2.gz TVRJYMUYKFQZCY-QGZVFWFLSA-N 0 3 316.449 2.217 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001329441022 1148895389 /nfs/dbraw/zinc/89/53/89/1148895389.db2.gz LVGGAUYTXUUNNR-CABCVRRESA-N 0 3 320.408 2.109 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNC(=O)[C@H]1CCCN1C(C)C ZINC001580771485 1075991690 /nfs/dbraw/zinc/99/16/90/1075991690.db2.gz HFAFEHSFILTYCN-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1C(=O)C(C)(C)N(C)CC ZINC001584668316 1076314113 /nfs/dbraw/zinc/31/41/13/1076314113.db2.gz MRIZMUFIKKWUOF-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)CCN1C ZINC001586631515 1076403058 /nfs/dbraw/zinc/40/30/58/1076403058.db2.gz OBZNYAOBJYTCSH-MVQLRYDASA-N 0 3 318.392 2.349 20 30 DEEDHN C#CCN(C)c1nnc([C@@H](C)CC)n1CCN1CC=CCC1 ZINC001587909939 1076429486 /nfs/dbraw/zinc/42/94/86/1076429486.db2.gz YJBADQDVEYFLDU-HNNXBMFYSA-N 0 3 301.438 2.123 20 30 DEEDHN C#CCN(C)c1nnc([C@H](C)CC)n1CCN1CC=CCC1 ZINC001587909940 1076429691 /nfs/dbraw/zinc/42/96/91/1076429691.db2.gz YJBADQDVEYFLDU-OAHLLOKOSA-N 0 3 301.438 2.123 20 30 DEEDHN C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588404545 1076446821 /nfs/dbraw/zinc/44/68/21/1076446821.db2.gz IGFJOWOPTJREIY-HUUCEWRRSA-N 0 3 301.394 2.235 20 30 DEEDHN C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588404545 1076446823 /nfs/dbraw/zinc/44/68/23/1076446823.db2.gz IGFJOWOPTJREIY-HUUCEWRRSA-N 0 3 301.394 2.235 20 30 DEEDHN C=CCOCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588683123 1076460720 /nfs/dbraw/zinc/46/07/20/1076460720.db2.gz YFJBXLQBDMQVIH-LLVKDONJSA-N 0 3 305.357 2.249 20 30 DEEDHN C=CCOCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588683123 1076460724 /nfs/dbraw/zinc/46/07/24/1076460724.db2.gz YFJBXLQBDMQVIH-LLVKDONJSA-N 0 3 305.357 2.249 20 30 DEEDHN N#Cc1ccc([C@H](C(=O)[O-])N2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001601095215 1077337653 /nfs/dbraw/zinc/33/76/53/1077337653.db2.gz KNKCRNBYNLYWNC-SJLPKXTDSA-N 0 3 313.401 2.150 20 30 DEEDHN C=CCCC[NH2+][C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001267803453 1079505723 /nfs/dbraw/zinc/50/57/23/1079505723.db2.gz ABLSZVCMWMDHJP-GFCCVEGCSA-N 0 3 301.394 2.022 20 30 DEEDHN C=CCC[NH2+][C@@H](CC)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001267821592 1079516046 /nfs/dbraw/zinc/51/60/46/1079516046.db2.gz PNIZQRSUOIKPEJ-LBPRGKRZSA-N 0 3 314.389 2.010 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2nccn2C)C1 ZINC001484338632 1079548653 /nfs/dbraw/zinc/54/86/53/1079548653.db2.gz MEOJULURARDEJQ-CABCVRRESA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@H](C)OC ZINC001484397824 1079586032 /nfs/dbraw/zinc/58/60/32/1079586032.db2.gz MUQVRPCIULAMKH-INIZCTEOSA-N 0 3 302.418 2.053 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1OC ZINC001484398497 1079586472 /nfs/dbraw/zinc/58/64/72/1079586472.db2.gz AHQXGPUBDANYIN-QZTJIDSGSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)[C@H](F)CC)cccc2C1 ZINC001484612848 1079680732 /nfs/dbraw/zinc/68/07/32/1079680732.db2.gz RCEHOGRJJZWFEQ-QGZVFWFLSA-N 0 3 302.393 2.432 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H](CC)c2ccccc2)CCO1 ZINC001484693737 1079725475 /nfs/dbraw/zinc/72/54/75/1079725475.db2.gz JFKUPZDNSSVECD-FUHWJXTLSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)CCCC)C2)CC1 ZINC001484706159 1079732012 /nfs/dbraw/zinc/73/20/12/1079732012.db2.gz WSNUPLQWHLXION-QGZVFWFLSA-N 0 3 307.482 2.361 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cc(OC)ns1)c1ccccc1 ZINC001481366617 1079760511 /nfs/dbraw/zinc/76/05/11/1079760511.db2.gz GKUAFKQYRIFGCA-ZDUSSCGKSA-N 0 3 317.414 2.398 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)OCCC(C)C)C2 ZINC001484829801 1079810941 /nfs/dbraw/zinc/81/09/41/1079810941.db2.gz LMYKDGDONIZDSW-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCC[C@@H](O)CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC001651499811 1079815323 /nfs/dbraw/zinc/81/53/23/1079815323.db2.gz OUJGPAOFWMQRFM-LLVKDONJSA-N 0 3 315.339 2.102 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@](CO)(NC/C=C/Cl)C1 ZINC001484848787 1079822355 /nfs/dbraw/zinc/82/23/55/1079822355.db2.gz ZQFYLXCFIVAVOK-PPYMECGQSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)c2coc(C)c2)CC1 ZINC001485008931 1079915762 /nfs/dbraw/zinc/91/57/62/1079915762.db2.gz BKELPHAWFHVYEG-UHFFFAOYSA-N 0 3 319.449 2.292 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC(F)(F)C(F)(F)F ZINC001672544116 1079987731 /nfs/dbraw/zinc/98/77/31/1079987731.db2.gz WHTOHPFIMHNBAF-QWRGUYRKSA-N 0 3 324.293 2.273 20 30 DEEDHN C[C@H](NCc1ccccc1F)[C@H](C)NC(=O)CSCC#N ZINC001485124485 1080002541 /nfs/dbraw/zinc/00/25/41/1080002541.db2.gz LESOAAYEFHTICP-RYUDHWBXSA-N 0 3 309.410 2.065 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCOCC(F)(F)F)C1 ZINC001481535839 1080019528 /nfs/dbraw/zinc/01/95/28/1080019528.db2.gz ZSJGOLNQSWNCRD-LBPRGKRZSA-N 0 3 308.344 2.112 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)Cc1ccoc1 ZINC001485138984 1080024086 /nfs/dbraw/zinc/02/40/86/1080024086.db2.gz SFMSDWMSHUEKLY-RYUDHWBXSA-N 0 3 317.414 2.438 20 30 DEEDHN CCn1nccc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001485140012 1080024992 /nfs/dbraw/zinc/02/49/92/1080024992.db2.gz YGOZOGSZNPMAHJ-HZPDHXFCSA-N 0 3 324.428 2.051 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCn1cc(Cl)cn1 ZINC001656109927 1080046172 /nfs/dbraw/zinc/04/61/72/1080046172.db2.gz UZDFXONUIUUBLJ-CQSZACIVSA-N 0 3 310.829 2.035 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1cncn1C ZINC001656440552 1080091192 /nfs/dbraw/zinc/09/11/92/1080091192.db2.gz FDHFYZGHEFHBAQ-JSGCOSHPSA-N 0 3 324.856 2.393 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2ccnc(N(C)C)c2)CC1 ZINC001670788755 1080098741 /nfs/dbraw/zinc/09/87/41/1080098741.db2.gz OTHIURAWRUQDEF-UHFFFAOYSA-N 0 3 316.449 2.242 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C=C(CC)CC)n1 ZINC001656639898 1080108418 /nfs/dbraw/zinc/10/84/18/1080108418.db2.gz RTNOZHMVSLKZES-UHFFFAOYSA-N 0 3 318.421 2.211 20 30 DEEDHN C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C)C(C)(C)C)n1 ZINC001656642877 1080108784 /nfs/dbraw/zinc/10/87/84/1080108784.db2.gz BALBZGJMGULZEX-GFCCVEGCSA-N 0 3 320.437 2.146 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485293855 1080123752 /nfs/dbraw/zinc/12/37/52/1080123752.db2.gz RYKMEBAOZQJIIS-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001656949586 1080142300 /nfs/dbraw/zinc/14/23/00/1080142300.db2.gz VYJPLDKZOGWGKD-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)[C@H]1C ZINC001657035350 1080148372 /nfs/dbraw/zinc/14/83/72/1080148372.db2.gz AFKHRPRRBQMYFL-XHSDSOJGSA-N 0 3 304.438 2.216 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccccn2)CC(C)(C)C1 ZINC001657101572 1080156507 /nfs/dbraw/zinc/15/65/07/1080156507.db2.gz CMMMKUQQOFSJGW-QGZVFWFLSA-N 0 3 313.445 2.254 20 30 DEEDHN COCCCOC1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001657384774 1080171333 /nfs/dbraw/zinc/17/13/33/1080171333.db2.gz ICYRYNADHPSTKX-SFHVURJKSA-N 0 3 318.417 2.109 20 30 DEEDHN Cc1oncc1CNC[C@H]1[C@H](C)CCCN1C(=O)C#CC(C)C ZINC001268185703 1080173537 /nfs/dbraw/zinc/17/35/37/1080173537.db2.gz NAONDQHBCFLWEA-PBHICJAKSA-N 0 3 317.433 2.359 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001485385816 1080193746 /nfs/dbraw/zinc/19/37/46/1080193746.db2.gz QEYUBJGRKVEXEQ-ZDUSSCGKSA-N 0 3 306.454 2.437 20 30 DEEDHN C=C[C@H](CC(=O)N(C)CCN(C)C[C@@H](C)O)c1ccccc1 ZINC001268260758 1080237804 /nfs/dbraw/zinc/23/78/04/1080237804.db2.gz YVSQDGPQXQDVBJ-HZPDHXFCSA-N 0 3 304.434 2.117 20 30 DEEDHN C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)CN1Cc1ccccc1 ZINC001659569313 1080243284 /nfs/dbraw/zinc/24/32/84/1080243284.db2.gz SPSLMHZBSURCSR-HYVNUMGLSA-N 0 3 317.433 2.009 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCC[C@@H]2NC(=O)C#CC(C)C)o1 ZINC001268277241 1080255797 /nfs/dbraw/zinc/25/57/97/1080255797.db2.gz NTBYJBKVCFRBGT-ZBFHGGJFSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001485521096 1080279055 /nfs/dbraw/zinc/27/90/55/1080279055.db2.gz YDHYHWSXPNKOET-HOCLYGCPSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@H](C)C1CN(CCOC)C1)c1ccccc1 ZINC001485539303 1080286941 /nfs/dbraw/zinc/28/69/41/1080286941.db2.gz JIYNKXCBDTWVFF-JKSUJKDBSA-N 0 3 316.445 2.429 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001660219669 1080288675 /nfs/dbraw/zinc/28/86/75/1080288675.db2.gz DDNLLDUEDOGJPK-UHFFFAOYSA-N 0 3 314.429 2.432 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)noc1C ZINC001481682978 1080293467 /nfs/dbraw/zinc/29/34/67/1080293467.db2.gz PVWYHJKSEIEGNS-HOTGVXAUSA-N 0 3 317.433 2.475 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCC2 ZINC001481678590 1080295008 /nfs/dbraw/zinc/29/50/08/1080295008.db2.gz URNJKDGCOCMGFX-HOTGVXAUSA-N 0 3 312.413 2.486 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](C)OCC(C)C)C[C@]2(C)C1 ZINC001485666689 1080355879 /nfs/dbraw/zinc/35/58/79/1080355879.db2.gz QKFHSZUEPWLGJY-YTQUADARSA-N 0 3 320.477 2.241 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](CCC)OCC)C[C@]2(C)C1 ZINC001485669345 1080357868 /nfs/dbraw/zinc/35/78/68/1080357868.db2.gz UITVTALUUWUPBP-QRQLOZEOSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001485683917 1080366512 /nfs/dbraw/zinc/36/65/12/1080366512.db2.gz DXLOLFZIBKLVTP-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN C[C@@H](CCCNCc1ccc(C#N)cc1F)NC(=O)C1CC1 ZINC001485708413 1080374447 /nfs/dbraw/zinc/37/44/47/1080374447.db2.gz PLOSMLGSLHUDDM-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@H](CCCNCc1cccc(F)c1F)NC(=O)[C@@H](C)C#N ZINC001485714995 1080385219 /nfs/dbraw/zinc/38/52/19/1080385219.db2.gz QOUBUKIAMAEWJF-NWDGAFQWSA-N 0 3 309.360 2.499 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C[C@H](C)SC)CC1 ZINC001660769095 1080394497 /nfs/dbraw/zinc/39/44/97/1080394497.db2.gz WPGHSJIKUVVDMK-AWEZNQCLSA-N 0 3 314.495 2.253 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001660818190 1080401743 /nfs/dbraw/zinc/40/17/43/1080401743.db2.gz CGQWIHZAWCLXRA-IEBWSBKVSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001660822040 1080403373 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C=CCN1CC[C@]2(CCCN(Cc3cc(C)nn3C)CC2)C1=O ZINC001272718641 1080499664 /nfs/dbraw/zinc/49/96/64/1080499664.db2.gz KQBOYVQKHMZLAV-GOSISDBHSA-N 0 3 316.449 2.119 20 30 DEEDHN O=C(CCCF)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001661636300 1080501505 /nfs/dbraw/zinc/50/15/05/1080501505.db2.gz JWANCAHZYMLGRV-IYBDPMFKSA-N 0 3 306.356 2.164 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001661641038 1080502531 /nfs/dbraw/zinc/50/25/31/1080502531.db2.gz UDIOXJXYPVBSNW-RWMBFGLXSA-N 0 3 308.451 2.186 20 30 DEEDHN CC[C@@H](OC)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001481793428 1080505671 /nfs/dbraw/zinc/50/56/71/1080505671.db2.gz AYJJFWISURGMSU-SMDDNHRTSA-N 0 3 309.435 2.029 20 30 DEEDHN CC[C@H](CNC(=O)c1cc(C)no1)NCC#Cc1ccccc1 ZINC001481790671 1080508641 /nfs/dbraw/zinc/50/86/41/1080508641.db2.gz QJRSUKASYDIZGD-MRXNPFEDSA-N 0 3 311.385 2.133 20 30 DEEDHN CC[C@H](CNC(=O)c1ccsn1)NCC#Cc1ccccc1 ZINC001481824643 1080529922 /nfs/dbraw/zinc/52/99/22/1080529922.db2.gz 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ZINC001268496430 1080632721 /nfs/dbraw/zinc/63/27/21/1080632721.db2.gz GCKKCNSNJJODJF-UHFFFAOYSA-N 0 3 320.458 2.327 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCn1cc(C)cn1)C1CC1 ZINC001481952286 1080642367 /nfs/dbraw/zinc/64/23/67/1080642367.db2.gz PYQJLHCWHMJXDT-INIZCTEOSA-N 0 3 324.856 2.209 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)CC(C)C)CCC[C@@H]12 ZINC001107265073 1080699415 /nfs/dbraw/zinc/69/94/15/1080699415.db2.gz OYVFGRAHGZWVJM-SJLPKXTDSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C)c(C)cn2)cc1 ZINC001482032403 1080715226 /nfs/dbraw/zinc/71/52/26/1080715226.db2.gz WXKKFBISFFARNT-UHFFFAOYSA-N 0 3 307.397 2.351 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)CC3CCC3)CCC[C@@H]12 ZINC001107354009 1080737617 /nfs/dbraw/zinc/73/76/17/1080737617.db2.gz SBTQDTWYTNKFNH-IEBWSBKVSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCCCCC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001482060379 1080764613 /nfs/dbraw/zinc/76/46/13/1080764613.db2.gz DQLAPMXHVURRAN-QGZVFWFLSA-N 0 3 316.449 2.084 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cn1c(C)cc2ccccc21 ZINC001268567148 1080767186 /nfs/dbraw/zinc/76/71/86/1080767186.db2.gz WSQHDEFFUISDQD-FPLPWBNLSA-N 0 3 309.413 2.235 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCc2ccc(F)cc2F)C1 ZINC001663630073 1080795017 /nfs/dbraw/zinc/79/50/17/1080795017.db2.gz XGAPUFYBKZHBPP-AWEZNQCLSA-N 0 3 320.383 2.359 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@@H]1CC1(F)F ZINC001482099631 1080802660 /nfs/dbraw/zinc/80/26/60/1080802660.db2.gz UJHOLODSPIIUJV-FZMZJTMJSA-N 0 3 307.344 2.055 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cncnc1C1CC1)C1CC1 ZINC001663772785 1080815123 /nfs/dbraw/zinc/81/51/23/1080815123.db2.gz AWQZHARXCAMJNE-UHFFFAOYSA-N 0 3 300.406 2.124 20 30 DEEDHN Cc1ccc(CNCCN(C)C(=O)c2cc(C#N)c[nH]2)cc1F ZINC001663874972 1080830505 /nfs/dbraw/zinc/83/05/05/1080830505.db2.gz UAQDOPQEMUQECM-UHFFFAOYSA-N 0 3 314.364 2.196 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001268609197 1080888054 /nfs/dbraw/zinc/88/80/54/1080888054.db2.gz FTCWPYDKHRTXNZ-SNAWJCMRSA-N 0 3 311.360 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317.433 2.341 20 30 DEEDHN C=C[C@H](CC(=O)N(CC)[C@@H]1CCN(CCO)C1)c1ccccc1 ZINC001665742609 1081075453 /nfs/dbraw/zinc/07/54/53/1081075453.db2.gz PYPVFDHAFKVASQ-SJLPKXTDSA-N 0 3 316.445 2.261 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](OC)C(C)C)NCC#Cc1ccccc1 ZINC001665838275 1081089512 /nfs/dbraw/zinc/08/95/12/1081089512.db2.gz AJKJYZDJNFWRGT-ROUUACIJSA-N 0 3 316.445 2.194 20 30 DEEDHN C=C(C)CCC(=O)NCc1ccc(CNCC#CCOC)cc1 ZINC001666333563 1081144583 /nfs/dbraw/zinc/14/45/83/1081144583.db2.gz XLJXCFMSMMHDQP-UHFFFAOYSA-N 0 3 314.429 2.399 20 30 DEEDHN Cc1ncc(CN2CCC(CCNC(=O)C#CC3CC3)CC2)o1 ZINC001666364226 1081147890 /nfs/dbraw/zinc/14/78/90/1081147890.db2.gz KSOVFDDJMRFMMQ-UHFFFAOYSA-N 0 3 315.417 2.115 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)CC2CCC2)CC1 ZINC001666360051 1081148175 /nfs/dbraw/zinc/14/81/75/1081148175.db2.gz UNZXRXPJJUTKEB-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C/C(C)=C/CC(=O)NCCC1CCN(CC#CCOC)CC1 ZINC001666374560 1081149138 /nfs/dbraw/zinc/14/91/38/1081149138.db2.gz CYVAHXLVXJREPX-REZTVBANSA-N 0 3 318.461 2.377 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001666403690 1081150923 /nfs/dbraw/zinc/15/09/23/1081150923.db2.gz VGJUWCGNGMSBQL-OAHLLOKOSA-N 0 3 324.371 2.248 20 30 DEEDHN C#CCOCCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001269241203 1081179853 /nfs/dbraw/zinc/17/98/53/1081179853.db2.gz SCEHRNDEELJUEP-SFHVURJKSA-N 0 3 314.429 2.068 20 30 DEEDHN C=CCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000710998044 1081191756 /nfs/dbraw/zinc/19/17/56/1081191756.db2.gz FABREPWYMBJSIO-GDBMZVCRSA-N 0 3 308.447 2.145 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCC(=O)N(CC)CC)C1 ZINC001269279940 1081197088 /nfs/dbraw/zinc/19/70/88/1081197088.db2.gz FVBIBCUVNYOSTE-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001269332694 1081216221 /nfs/dbraw/zinc/21/62/21/1081216221.db2.gz RDAATYGFZJRZNM-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@H](CNC(=O)COC(C)C)NCC#Cc1ccc(F)cc1 ZINC001269377086 1081232984 /nfs/dbraw/zinc/23/29/84/1081232984.db2.gz BFITZBKCRVAMDU-QGZVFWFLSA-N 0 3 320.408 2.087 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001269466970 1081256226 /nfs/dbraw/zinc/25/62/26/1081256226.db2.gz RPUPMPKYEOVUBO-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001269493922 1081265815 /nfs/dbraw/zinc/26/58/15/1081265815.db2.gz IAKCSNLMDAQSHK-CVEARBPZSA-N 0 3 318.392 2.155 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1cc(OC)no1 ZINC001667744162 1081283604 /nfs/dbraw/zinc/28/36/04/1081283604.db2.gz ODFCZTCERZMKLC-OCCSQVGLSA-N 0 3 321.421 2.270 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](O)CNC/C=C/Cl)CCCCC1 ZINC001667939666 1081295866 /nfs/dbraw/zinc/29/58/66/1081295866.db2.gz ORQMTQKTJZWSPY-XYYIANASSA-N 0 3 314.857 2.332 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001668039412 1081308990 /nfs/dbraw/zinc/30/89/90/1081308990.db2.gz LUZSQXUEWVASEN-CQSZACIVSA-N 0 3 315.392 2.485 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)CSC)C2)C1 ZINC001269685636 1081332560 /nfs/dbraw/zinc/33/25/60/1081332560.db2.gz JORNQJFDQYGZMY-WBVHZDCISA-N 0 3 308.491 2.323 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](OCC)C(=C)C)C2)C1 ZINC001269693357 1081337427 /nfs/dbraw/zinc/33/74/27/1081337427.db2.gz UBISAVSYYSVXBE-PKOBYXMFSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001269769826 1081360942 /nfs/dbraw/zinc/36/09/42/1081360942.db2.gz BEJPZQVSGRYIKJ-ZDUSSCGKSA-N 0 3 308.813 2.061 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001668512382 1081362491 /nfs/dbraw/zinc/36/24/91/1081362491.db2.gz DLVKSHZXKGHIOX-UHFFFAOYSA-N 0 3 302.205 2.397 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001668629264 1081374727 /nfs/dbraw/zinc/37/47/27/1081374727.db2.gz HCKUBVUAFGTXOS-MRXNPFEDSA-N 0 3 304.821 2.441 20 30 DEEDHN COc1cccc(CNC/C=C/CNC(=O)C#CC(C)C)c1C ZINC001668815720 1081401177 /nfs/dbraw/zinc/40/11/77/1081401177.db2.gz PZKLYJSJGYUBAU-AATRIKPKSA-N 0 3 314.429 2.425 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC001006461800 1081406674 /nfs/dbraw/zinc/40/66/74/1081406674.db2.gz ZAUGMCDPJYBGAV-UHFFFAOYSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCCCC(=O)NC/C=C\CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001669008916 1081418555 /nfs/dbraw/zinc/41/85/55/1081418555.db2.gz NZYXUGQAQUQPNJ-CDNLZTBQSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCCCC(=O)NC/C=C\CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001669008918 1081418793 /nfs/dbraw/zinc/41/87/93/1081418793.db2.gz NZYXUGQAQUQPNJ-WHLNPGIBSA-N 0 3 321.465 2.004 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001270006500 1081425181 /nfs/dbraw/zinc/42/51/81/1081425181.db2.gz JMQAVVRGTVUFGT-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]1CNCc1c(C)nsc1C ZINC001270022478 1081429981 /nfs/dbraw/zinc/42/99/81/1081429981.db2.gz OEFBSQULZUVREQ-AWEZNQCLSA-N 0 3 323.462 2.043 20 30 DEEDHN O=C(Cc1ccoc1)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001270034072 1081433195 /nfs/dbraw/zinc/43/31/95/1081433195.db2.gz FWTMTLNNBRTHGS-IBGZPJMESA-N 0 3 322.408 2.454 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001270058969 1081440159 /nfs/dbraw/zinc/44/01/59/1081440159.db2.gz PSWRTMHCKRDRER-MRXNPFEDSA-N 0 3 302.422 2.222 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H]2OC)cc1 ZINC001270065232 1081441349 /nfs/dbraw/zinc/44/13/49/1081441349.db2.gz IIFDDFYHJGTQQX-QZTJIDSGSA-N 0 3 314.429 2.231 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2N(C)C)CC1 ZINC001006466015 1081450070 /nfs/dbraw/zinc/45/00/70/1081450070.db2.gz PIUFNHXBUIVQSD-UHFFFAOYSA-N 0 3 301.434 2.475 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@@H]2CC23CCC3)CC1 ZINC001270144113 1081459944 /nfs/dbraw/zinc/45/99/44/1081459944.db2.gz KTQLBAWFFDGCHU-KRWDZBQOSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H]1CNCc1scnc1C ZINC001270194982 1081471874 /nfs/dbraw/zinc/47/18/74/1081471874.db2.gz YXEWRHYUMIHWCM-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)CC)C1CCN(CCOC(C)C)CC1 ZINC001270289959 1081494826 /nfs/dbraw/zinc/49/48/26/1081494826.db2.gz CJPQBHPJKIQXJN-INIZCTEOSA-N 0 3 308.466 2.384 20 30 DEEDHN Cc1cc(CNC[C@@H](C)N(C)C(=O)C#CC(C)(C)C)sn1 ZINC001482282192 1081507972 /nfs/dbraw/zinc/50/79/72/1081507972.db2.gz VDEAIVCAZYDHPD-CYBMUJFWSA-N 0 3 307.463 2.438 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@H](C)CNC(=O)C#CC1CC1 ZINC001270402202 1081519033 /nfs/dbraw/zinc/51/90/33/1081519033.db2.gz RTFLZRQBTKGAFW-ZDUSSCGKSA-N 0 3 317.433 2.362 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1CCN(CCO)CC1 ZINC001671496794 1081520074 /nfs/dbraw/zinc/52/00/74/1081520074.db2.gz GRJBXCZZBFQTHS-HOTGVXAUSA-N 0 3 322.493 2.223 20 30 DEEDHN CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H](C)C#N ZINC001270501046 1081538151 /nfs/dbraw/zinc/53/81/51/1081538151.db2.gz HOSOJIKBHRMSMD-TWMKSMIVSA-N 0 3 321.465 2.274 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC001671857615 1081543694 /nfs/dbraw/zinc/54/36/94/1081543694.db2.gz BIHPRCRUGGOEDH-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001671899018 1081547257 /nfs/dbraw/zinc/54/72/57/1081547257.db2.gz WOPGDMPCRZLCJH-SCTDSRPQSA-N 0 3 320.477 2.453 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccc(CC)s2)C1 ZINC001672008228 1081557716 /nfs/dbraw/zinc/55/77/16/1081557716.db2.gz DGGIEKIUGUAWOH-INIZCTEOSA-N 0 3 308.447 2.053 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001270589266 1081558302 /nfs/dbraw/zinc/55/83/02/1081558302.db2.gz DQGMOMAWXABBKL-RDTXWAMCSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001270607610 1081562162 /nfs/dbraw/zinc/56/21/62/1081562162.db2.gz OHBQGIPPKFKNAL-GOSISDBHSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)NCc2ccn(C)n2)C1 ZINC001672208887 1081567031 /nfs/dbraw/zinc/56/70/31/1081567031.db2.gz JHZXABYLULHYQS-CABCVRRESA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccn2c(C)cnc2c1 ZINC001626751098 1081583034 /nfs/dbraw/zinc/58/30/34/1081583034.db2.gz SOPXEXCSEDBLIA-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](CC)O1 ZINC001672388356 1081591937 /nfs/dbraw/zinc/59/19/37/1081591937.db2.gz GHMPHDXWKCAWAZ-QZTJIDSGSA-N 0 3 314.429 2.196 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001482320364 1081611051 /nfs/dbraw/zinc/61/10/51/1081611051.db2.gz TYLLQDCPODHPIU-JKIFEVAISA-N 0 3 302.393 2.270 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(CC)n[nH]2)cc1 ZINC001672933636 1081723392 /nfs/dbraw/zinc/72/33/92/1081723392.db2.gz GXCJCSVHWAWCMF-ZDUSSCGKSA-N 0 3 310.401 2.186 20 30 DEEDHN C=C(C)CCC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001673079468 1081737579 /nfs/dbraw/zinc/73/75/79/1081737579.db2.gz BCYVSZSXNDMBJV-UHFFFAOYSA-N 0 3 302.418 2.010 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001673252858 1081750178 /nfs/dbraw/zinc/75/01/78/1081750178.db2.gz NPUNZNBHQYJMIL-CABCVRRESA-N 0 3 318.417 2.178 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)CCC(C)C)C2)CC1 ZINC001673347941 1081757045 /nfs/dbraw/zinc/75/70/45/1081757045.db2.gz YIYPISAVDUIOHB-QGZVFWFLSA-N 0 3 307.482 2.217 20 30 DEEDHN C[C@@H](CNCc1ccccn1)N(C)C(=O)CC#Cc1ccccc1 ZINC001482366551 1081765400 /nfs/dbraw/zinc/76/54/00/1081765400.db2.gz AYXQXNMEWJJUIV-KRWDZBQOSA-N 0 3 321.424 2.460 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC001673407617 1081769107 /nfs/dbraw/zinc/76/91/07/1081769107.db2.gz UMTGTELUFCSFBK-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1coc2ccccc12 ZINC001482374875 1081773016 /nfs/dbraw/zinc/77/30/16/1081773016.db2.gz OMSDTCPJGFIVDO-CQSZACIVSA-N 0 3 314.385 2.133 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCOC)C1 ZINC001673496589 1081776252 /nfs/dbraw/zinc/77/62/52/1081776252.db2.gz OTVYZYQTOXOXAB-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)c1cscn1 ZINC001270915471 1081837457 /nfs/dbraw/zinc/83/74/57/1081837457.db2.gz XJOVXOXJLRFDIB-AWEZNQCLSA-N 0 3 313.426 2.245 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COCc2ccc(C)cc2)C[C@H]1C ZINC001674133930 1081842111 /nfs/dbraw/zinc/84/21/11/1081842111.db2.gz IMGBFAQGGUNWMA-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COCc2ccccc2C)C[C@@H]1C ZINC001674146557 1081846356 /nfs/dbraw/zinc/84/63/56/1081846356.db2.gz GIVHAPHZPMAMQF-WMZOPIPTSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC[C@H]2CCCO2)C1 ZINC001270941595 1081847999 /nfs/dbraw/zinc/84/79/99/1081847999.db2.gz VWHORWXILPSJOO-SJLPKXTDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)C#CC(C)C)CC1 ZINC001674283788 1081857025 /nfs/dbraw/zinc/85/70/25/1081857025.db2.gz IKQSJUCNBPSJCD-UHFFFAOYSA-N 0 3 319.493 2.126 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001674311620 1081859261 /nfs/dbraw/zinc/85/92/61/1081859261.db2.gz XCNMPOKNQNTBHW-IXDOHACOSA-N 0 3 318.461 2.108 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001674392946 1081866038 /nfs/dbraw/zinc/86/60/38/1081866038.db2.gz GPCOXWVRCJOAAV-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](CCC(C)C)NC(C)=O ZINC001674499212 1081884220 /nfs/dbraw/zinc/88/42/20/1081884220.db2.gz FMHOVPSFMJQSLT-IRXDYDNUSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)CCc1cccc(C)c1 ZINC001271051505 1081889057 /nfs/dbraw/zinc/88/90/57/1081889057.db2.gz JEHWHQPSLVVHNK-QGZVFWFLSA-N 0 3 316.445 2.014 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001674661273 1081901338 /nfs/dbraw/zinc/90/13/38/1081901338.db2.gz OQDSVTSRQXWXIS-CVEARBPZSA-N 0 3 309.413 2.471 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCF)C2)CCOCC1 ZINC001266248442 1081915923 /nfs/dbraw/zinc/91/59/23/1081915923.db2.gz MCBCSWZDCQZXOQ-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C1CCC(C(=O)NCCN2CCN(CCCC)CC2)CC1 ZINC001266292382 1081947597 /nfs/dbraw/zinc/94/75/97/1081947597.db2.gz GOXIZNRMTOVDFR-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H](C)c2ccccc2)CC1 ZINC001266296604 1081952022 /nfs/dbraw/zinc/95/20/22/1081952022.db2.gz BJYXDLZSVMUKPC-QGZVFWFLSA-N 0 3 315.461 2.100 20 30 DEEDHN CC[C@@H](CC(F)(F)F)C(=O)N(C)[C@H](C)CNCC#CCOC ZINC001271170217 1081972441 /nfs/dbraw/zinc/97/24/41/1081972441.db2.gz ITGOWORXNPPLRL-OLZOCXBDSA-N 0 3 322.371 2.051 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001271208299 1081990570 /nfs/dbraw/zinc/99/05/70/1081990570.db2.gz IRCBDZNSOUSCOZ-JFIYKMOQSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccccc2C2CCC2)C1 ZINC001271221065 1081993199 /nfs/dbraw/zinc/99/31/99/1081993199.db2.gz SZZKQTXVYIMOQG-IBGZPJMESA-N 0 3 314.429 2.307 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1ccoc1C(C)C ZINC001271226106 1081994143 /nfs/dbraw/zinc/99/41/43/1081994143.db2.gz GCGHWKWYMATQMW-AWEZNQCLSA-N 0 3 306.406 2.103 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC[C@H](C)F)C2)CCOCC1 ZINC001266356620 1081995384 /nfs/dbraw/zinc/99/53/84/1081995384.db2.gz VQMKKOQCANXGGN-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCOCCN1CCC(N(CCC)C(=O)[C@H]2CCCO2)CC1 ZINC001266384837 1082012005 /nfs/dbraw/zinc/01/20/05/1082012005.db2.gz WRFCQNPVWNAPBB-QGZVFWFLSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cn(C(C)C)nn2)[C@@H](C)C1 ZINC001271373653 1082022800 /nfs/dbraw/zinc/02/28/00/1082022800.db2.gz FWVJMWXPMQQGOG-HOCLYGCPSA-N 0 3 319.453 2.152 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(=O)NC(C)C ZINC001482487847 1082041493 /nfs/dbraw/zinc/04/14/93/1082041493.db2.gz ANLQOAKTFJCLLN-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CCNCc1ocnc1C ZINC001271494302 1082062708 /nfs/dbraw/zinc/06/27/08/1082062708.db2.gz KTLUDDYKIZOQGH-OAHLLOKOSA-N 0 3 321.421 2.046 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)on1 ZINC001266481379 1082065308 /nfs/dbraw/zinc/06/53/08/1082065308.db2.gz QCYOYDJBOYNWHR-IYBDPMFKSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC1CC1 ZINC001266486735 1082069257 /nfs/dbraw/zinc/06/92/57/1082069257.db2.gz SMYSUEKQFYWGIG-CALCHBBNSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001271593168 1082088330 /nfs/dbraw/zinc/08/83/30/1082088330.db2.gz XCGSHVYOGQYBBY-CYBMUJFWSA-N 0 3 310.829 2.066 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001266524635 1082107645 /nfs/dbraw/zinc/10/76/45/1082107645.db2.gz XGHXMNIUFMLYRU-KRWDZBQOSA-N 0 3 316.449 2.122 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cn2c(C)cc3ccccc32)C1 ZINC001266536266 1082129612 /nfs/dbraw/zinc/12/96/12/1082129612.db2.gz RGUCXFSYMAHDOE-KRWDZBQOSA-N 0 3 309.413 2.164 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001266537290 1082131591 /nfs/dbraw/zinc/13/15/91/1082131591.db2.gz IEBLZZLKOOFKGF-SJLPKXTDSA-N 0 3 314.429 2.053 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001266542365 1082137169 /nfs/dbraw/zinc/13/71/69/1082137169.db2.gz QMBZFPDBCKDILP-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1CCC(F)(F)F ZINC001502903045 1082149720 /nfs/dbraw/zinc/14/97/20/1082149720.db2.gz LJEGVLYBEYMTFU-WDEREUQCSA-N 0 3 323.384 2.165 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1n[nH]c(C)c1C ZINC001271796315 1082155672 /nfs/dbraw/zinc/15/56/72/1082155672.db2.gz AGYXGGJWBUSUDI-UHFFFAOYSA-N 0 3 324.428 2.282 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001266565462 1082162617 /nfs/dbraw/zinc/16/26/17/1082162617.db2.gz YZDLNNQNXGXVTG-UHFFFAOYSA-N 0 3 304.438 2.172 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1cccc(OC)c1 ZINC001266577723 1082171808 /nfs/dbraw/zinc/17/18/08/1082171808.db2.gz XDADSKZCFYQMPY-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C=C(C)CCN1CCC[C@@](CO)(NC(=O)c2ccc(C)o2)C1 ZINC001271940552 1082202080 /nfs/dbraw/zinc/20/20/80/1082202080.db2.gz JBAQZSGAMZUCMM-QGZVFWFLSA-N 0 3 306.406 2.111 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnc2n1CCCC2)C(C)C ZINC001482549510 1082202316 /nfs/dbraw/zinc/20/23/16/1082202316.db2.gz CQNOUCPQKUFMHY-ZDUSSCGKSA-N 0 3 324.856 2.316 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001670657368 1082205347 /nfs/dbraw/zinc/20/53/47/1082205347.db2.gz WJLRJJZQBCSYTP-HZPDHXFCSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001670650585 1082205511 /nfs/dbraw/zinc/20/55/11/1082205511.db2.gz JKXCNKTYDMFEDE-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001266612177 1082207944 /nfs/dbraw/zinc/20/79/44/1082207944.db2.gz JXPHPASPXSJVET-SHTZXODSSA-N 0 3 315.417 2.021 20 30 DEEDHN C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)CSCC#N ZINC001271963704 1082210422 /nfs/dbraw/zinc/21/04/22/1082210422.db2.gz WZOJNWFYUNCJPN-AWEZNQCLSA-N 0 3 305.447 2.395 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1cn2c(C)csc2n1 ZINC001670672682 1082211563 /nfs/dbraw/zinc/21/15/63/1082211563.db2.gz OMRMKDWKIXLPAB-AWEZNQCLSA-N 0 3 318.446 2.013 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCC[C@H]1CCOC1 ZINC001670677086 1082213750 /nfs/dbraw/zinc/21/37/50/1082213750.db2.gz KJEJJZWCWZOGKI-DLBZAZTESA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1csc(C)n1)C(C)C ZINC001482568283 1082239918 /nfs/dbraw/zinc/23/99/18/1082239918.db2.gz KZUZUVPUMHEOHG-ZDUSSCGKSA-N 0 3 315.870 2.477 20 30 DEEDHN CN(CCN(C)C(=O)C(C)(C)F)Cc1ccc(OCC#N)cc1 ZINC001482575718 1082259072 /nfs/dbraw/zinc/25/90/72/1082259072.db2.gz VCTAABOZEXWFBB-UHFFFAOYSA-N 0 3 321.396 2.227 20 30 DEEDHN C#CCOCCC(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001272013269 1082265822 /nfs/dbraw/zinc/26/58/22/1082265822.db2.gz HYHDVLKIVUVGES-UHFFFAOYSA-N 0 3 316.445 2.234 20 30 DEEDHN C[C@@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)n1cccc1 ZINC001266677827 1082276158 /nfs/dbraw/zinc/27/61/58/1082276158.db2.gz PMVZPDZSAKCQAO-HNNXBMFYSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC001279224953 1082300664 /nfs/dbraw/zinc/30/06/64/1082300664.db2.gz XIKFOYGFKFWJME-UHFFFAOYSA-N 0 3 303.406 2.256 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001266855448 1082399410 /nfs/dbraw/zinc/39/94/10/1082399410.db2.gz CEQZLUGNXULYCP-YESZJQIVSA-N 0 3 306.450 2.206 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC001670832410 1082399860 /nfs/dbraw/zinc/39/98/60/1082399860.db2.gz BUYDBDSLMROLSC-UHFFFAOYSA-N 0 3 311.385 2.052 20 30 DEEDHN O=C(c1cn[nH]c1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001266860864 1082404400 /nfs/dbraw/zinc/40/44/00/1082404400.db2.gz NMHVRTUIQQTENB-SFHVURJKSA-N 0 3 322.412 2.046 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccccc2-n2cccc2)CC1 ZINC001670846391 1082414146 /nfs/dbraw/zinc/41/41/46/1082414146.db2.gz XFSXFUNPBIVHCZ-UHFFFAOYSA-N 0 3 307.397 2.353 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2CCC2)C1 ZINC001266891464 1082434119 /nfs/dbraw/zinc/43/41/19/1082434119.db2.gz JPZHNEVSLDIZIT-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN CCC(C)(CC)C(=O)N1CC[C@H]2[C@@H](CCN2CC#CCOC)C1 ZINC001482669347 1082452521 /nfs/dbraw/zinc/45/25/21/1082452521.db2.gz ZEVDTBOCAHJZAY-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](CCC)c1ccccn1 ZINC001272092314 1082463966 /nfs/dbraw/zinc/46/39/66/1082463966.db2.gz BVVJSTVNUJANKE-MRXNPFEDSA-N 0 3 301.434 2.379 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N[C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001266968938 1082482584 /nfs/dbraw/zinc/48/25/84/1082482584.db2.gz XEKVLOOVYJJTEZ-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1c(C)noc1Cl ZINC001482881718 1082543825 /nfs/dbraw/zinc/54/38/25/1082543825.db2.gz OXISSUZYIHVEFE-SECBINFHSA-N 0 3 320.220 2.416 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1ccc(N(C)CCC)cc1 ZINC001482971905 1082587226 /nfs/dbraw/zinc/58/72/26/1082587226.db2.gz OXEGQZPZHWQLHY-UHFFFAOYSA-N 0 3 301.434 2.218 20 30 DEEDHN COc1ccc(CNC/C=C\CNC(=O)C2CCC2)cc1C#N ZINC001482976450 1082591485 /nfs/dbraw/zinc/59/14/85/1082591485.db2.gz QVWGANDZIBPZGU-IHWYPQMZSA-N 0 3 313.401 2.129 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccccn2)C1 ZINC001272208158 1082666569 /nfs/dbraw/zinc/66/65/69/1082666569.db2.gz UQFMUMRLKXLVCS-WMZOPIPTSA-N 0 3 311.429 2.164 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1ccc(C(F)F)cc1 ZINC001483071032 1082690117 /nfs/dbraw/zinc/69/01/17/1082690117.db2.gz JQUJEYBPYDZESE-NSCUHMNNSA-N 0 3 322.355 2.150 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1ccsn1 ZINC001409341582 1082832692 /nfs/dbraw/zinc/83/26/92/1082832692.db2.gz BIBRTROLRMBALQ-NXEZZACHSA-N 0 3 320.443 2.373 20 30 DEEDHN Cc1cnc([C@@H](C)NCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)cn1 ZINC001409444424 1082893132 /nfs/dbraw/zinc/89/31/32/1082893132.db2.gz IDHXCPZCTIKPBV-GXTWGEPZSA-N 0 3 317.437 2.080 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCCCO1 ZINC001409458327 1082899903 /nfs/dbraw/zinc/89/99/03/1082899903.db2.gz SADRTRMGUOOOOX-CYBMUJFWSA-N 0 3 302.846 2.382 20 30 DEEDHN C[C@@H](CNC(=O)CCn1cccc1)N(C)Cc1ccc(C#N)cc1 ZINC001409636471 1082999813 /nfs/dbraw/zinc/99/98/13/1082999813.db2.gz CEKWUNZYGJYJJW-INIZCTEOSA-N 0 3 324.428 2.387 20 30 DEEDHN Cc1oncc1CNCC1(NC(=O)[C@@H](C)C#N)CCCCC1 ZINC001409758604 1083042269 /nfs/dbraw/zinc/04/22/69/1083042269.db2.gz BHRIZLSXPOBASJ-LBPRGKRZSA-N 0 3 304.394 2.051 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cn2cccn2)CCCCC1 ZINC001409766626 1083046552 /nfs/dbraw/zinc/04/65/52/1083046552.db2.gz FNIOQGOMHHDSNI-UHFFFAOYSA-N 0 3 310.829 2.044 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnn(C)c2)CCCCC1 ZINC001409768070 1083048372 /nfs/dbraw/zinc/04/83/72/1083048372.db2.gz JNYGNNWYMKTPFK-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)[C@H](F)CC1CCCCC1 ZINC001483284438 1083073896 /nfs/dbraw/zinc/07/38/96/1083073896.db2.gz MXMNLXNSIXBZDF-GOEBONIOSA-N 0 3 312.429 2.039 20 30 DEEDHN CC(C)OCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483315861 1083092494 /nfs/dbraw/zinc/09/24/94/1083092494.db2.gz YTGUEPAEFISUDG-HNNXBMFYSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001329503860 1148904974 /nfs/dbraw/zinc/90/49/74/1148904974.db2.gz VKVZZMZIJDYADF-LUKYLMHMSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](OCC)C1(CC)CC ZINC001222524112 1083635322 /nfs/dbraw/zinc/63/53/22/1083635322.db2.gz JWQIKNUGRJUHSB-HOTGVXAUSA-N 0 3 323.481 2.225 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001276851372 1083645620 /nfs/dbraw/zinc/64/56/20/1083645620.db2.gz BFPKTGVMDDNGTM-WBVHZDCISA-N 0 3 304.434 2.106 20 30 DEEDHN C=CCCCCN1C[C@@H]2C(C(=O)N(CC)C(C)C)=NO[C@@H]2C1 ZINC001276885127 1083664370 /nfs/dbraw/zinc/66/43/70/1083664370.db2.gz FKTOMSUZFORJTN-LSDHHAIUSA-N 0 3 307.438 2.286 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001276942241 1083692152 /nfs/dbraw/zinc/69/21/52/1083692152.db2.gz UXAIXYGOZMCIBK-IUODEOHRSA-N 0 3 302.422 2.252 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2cc3n(n2)CCC3)C1 ZINC001276987581 1083722021 /nfs/dbraw/zinc/72/20/21/1083722021.db2.gz GLCYLGANOHJUQE-SHTZXODSSA-N 0 3 316.449 2.170 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC001276988158 1083722328 /nfs/dbraw/zinc/72/23/28/1083722328.db2.gz WKFLJMJZZPMXEY-CTYIDZIISA-N 0 3 304.438 2.007 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCNCc1ccncc1Cl ZINC001277147235 1083808880 /nfs/dbraw/zinc/80/88/80/1083808880.db2.gz BCHDNAHKPDLGCJ-NEPJUHHUSA-N 0 3 308.813 2.269 20 30 DEEDHN C=CCNC(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001277173638 1083829241 /nfs/dbraw/zinc/82/92/41/1083829241.db2.gz FFZFGDBCZTVREN-NWDGAFQWSA-N 0 3 305.344 2.231 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001277182834 1083833372 /nfs/dbraw/zinc/83/33/72/1083833372.db2.gz CVPGCXNHBTZVIQ-UHFFFAOYSA-N 0 3 313.376 2.111 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(N2CCCC2)nc1 ZINC001168549825 1083874415 /nfs/dbraw/zinc/87/44/15/1083874415.db2.gz HJCWPFLOQBLWTH-UHFFFAOYSA-N 0 3 322.840 2.144 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001277256940 1083876882 /nfs/dbraw/zinc/87/68/82/1083876882.db2.gz UADUELQPUBTFIG-CFVMTHIKSA-N 0 3 314.857 2.429 20 30 DEEDHN CCC(CC)CN1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107926974 1083902963 /nfs/dbraw/zinc/90/29/63/1083902963.db2.gz QQUGKUZATLYNJA-SFHVURJKSA-N 0 3 308.466 2.289 20 30 DEEDHN N#CCC1CN(C(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2F)C3)C1 ZINC001277414958 1083955901 /nfs/dbraw/zinc/95/59/01/1083955901.db2.gz UVLFWFGOMFGLSR-CRAIPNDOSA-N 0 3 313.376 2.020 20 30 DEEDHN C=C/C(C)=C\CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001490973654 1083979394 /nfs/dbraw/zinc/97/93/94/1083979394.db2.gz ANPRKGCFDKBYSH-PWCVQKSJSA-N 0 3 316.445 2.270 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N(C)C)c1[O-] ZINC001277463341 1083984315 /nfs/dbraw/zinc/98/43/15/1083984315.db2.gz JKQQXWTYDOIJGD-MAUKXSAKSA-N 0 3 300.402 2.173 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C)c1[O-] ZINC001277463341 1083984327 /nfs/dbraw/zinc/98/43/27/1083984327.db2.gz JKQQXWTYDOIJGD-MAUKXSAKSA-N 0 3 300.402 2.173 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCCOC)C1 ZINC001490987668 1083990319 /nfs/dbraw/zinc/99/03/19/1083990319.db2.gz WGOHSEADPZWMFX-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCC(=O)N1CC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001277509396 1084010453 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C#CCN1CCC[C@H](CNC(=O)CCOc2ccccc2F)C1 ZINC001491130173 1084095040 /nfs/dbraw/zinc/09/50/40/1084095040.db2.gz XQHDAZQVZLXJMM-OAHLLOKOSA-N 0 3 318.392 2.056 20 30 DEEDHN C=CCCCN1CCn2c(nnc2C(=O)NC(C)(C)C)C[C@@H]1C ZINC001277758276 1084133948 /nfs/dbraw/zinc/13/39/48/1084133948.db2.gz GMXKAOTZOOGTLH-ZDUSSCGKSA-N 0 3 319.453 2.019 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC001491198752 1084145513 /nfs/dbraw/zinc/14/55/13/1084145513.db2.gz KYGDDJXRXAGBDQ-SJORKVTESA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001491279740 1084205339 /nfs/dbraw/zinc/20/53/39/1084205339.db2.gz FSKVKYJELOAYKA-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CCOC(C)C)C2)CC1 ZINC001671044239 1084228976 /nfs/dbraw/zinc/22/89/76/1084228976.db2.gz BYBTYCAAFLWWGW-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCNCc1ccc(OC)nc1 ZINC001128081115 1084260991 /nfs/dbraw/zinc/26/09/91/1084260991.db2.gz BVVKATUJGLJACO-UHFFFAOYSA-N 0 3 303.406 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C=CCN1CC[C@H](NCCNC(=O)CCCC[C@@H](C)CC)C1=O ZINC001128169039 1085277873 /nfs/dbraw/zinc/27/78/73/1085277873.db2.gz ZCROQGCSBYKYJB-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1cnnn1C)C(C)(C)C ZINC001486414001 1085284794 /nfs/dbraw/zinc/28/47/94/1085284794.db2.gz TZRMELKBYSYXSL-AWEZNQCLSA-N 0 3 321.469 2.038 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC001486437927 1085313543 /nfs/dbraw/zinc/31/35/43/1085313543.db2.gz OUDVQBYRRNNYKT-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C2CCN(CC#CCOC)CC2)C1 ZINC001486439506 1085323237 /nfs/dbraw/zinc/32/32/37/1085323237.db2.gz AOCWDEAKBGUFPR-MRXNPFEDSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1conc1C)C2 ZINC000964710476 1085386602 /nfs/dbraw/zinc/38/66/02/1085386602.db2.gz SIDGXLTZTISAEV-UHFFFAOYSA-N 0 3 309.797 2.366 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C)cc1Cl ZINC000960621947 1085386921 /nfs/dbraw/zinc/38/69/21/1085386921.db2.gz 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2.479 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cccnc1)C2 ZINC000963481648 1086473148 /nfs/dbraw/zinc/47/31/48/1086473148.db2.gz RLUNGTORGLVQOC-UHFFFAOYSA-N 0 3 305.809 2.465 20 30 DEEDHN N#Cc1ccc(CN2CC[C@]3(CCN(C4CCCC4)C3=O)C2)cn1 ZINC001273177377 1087189613 /nfs/dbraw/zinc/18/96/13/1087189613.db2.gz LWIRXOFQHRSZMU-IBGZPJMESA-N 0 3 324.428 2.320 20 30 DEEDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001273177744 1087190341 /nfs/dbraw/zinc/19/03/41/1087190341.db2.gz QIGLZYPMDAOLHH-KDOFPFPSSA-N 0 3 312.417 2.176 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2C)[C@@H](O)C1 ZINC001090284174 1087211449 /nfs/dbraw/zinc/21/14/49/1087211449.db2.gz TVOWLWQVMFIBNQ-HOTGVXAUSA-N 0 3 322.836 2.390 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001079688356 1088321829 /nfs/dbraw/zinc/32/18/29/1088321829.db2.gz QAJGGZFJPGLIGM-TZMCWYRMSA-N 0 3 303.406 2.009 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001079689968 1088326443 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C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC000958731729 1089153846 /nfs/dbraw/zinc/15/38/46/1089153846.db2.gz ISFOAGHQXFIMQE-UONOGXRCSA-N 0 3 322.474 2.470 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC000958748112 1089161633 /nfs/dbraw/zinc/16/16/33/1089161633.db2.gz HUWBURALGCPHRW-CJNGLKHVSA-N 0 3 314.385 2.031 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@H](OC)C1 ZINC001082086266 1089712867 /nfs/dbraw/zinc/71/28/67/1089712867.db2.gz QHMPMLCKHAOIJD-HZPDHXFCSA-N 0 3 306.381 2.139 20 30 DEEDHN Cc1cccnc1CNC[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC000960002373 1089901452 /nfs/dbraw/zinc/90/14/52/1089901452.db2.gz DNLKTJKXKSRMPH-KRWDZBQOSA-N 0 3 311.429 2.274 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1NCc1ccc(C#N)s1 ZINC001082763430 1090071868 /nfs/dbraw/zinc/07/18/68/1090071868.db2.gz VAFUGOUUQWOKHV-KCPJHIHWSA-N 0 3 315.442 2.356 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)[C@H]2C1 ZINC001083151920 1090168029 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N#Cc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)[nH]1 ZINC001412267853 1091269746 /nfs/dbraw/zinc/26/97/46/1091269746.db2.gz LIGUJHZOQBEIQX-QAPCUYQASA-N 0 3 320.396 2.233 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001274613164 1091325039 /nfs/dbraw/zinc/32/50/39/1091325039.db2.gz RLDOJRBLRYJMOL-PBHICJAKSA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc3cccnc3[nH]1)CC2 ZINC001273425527 1091343905 /nfs/dbraw/zinc/34/39/05/1091343905.db2.gz OQIPWAJPUMXRKE-MRXNPFEDSA-N 0 3 324.428 2.467 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CCOC ZINC001274848237 1091445025 /nfs/dbraw/zinc/44/50/25/1091445025.db2.gz UJZJIAZRXWJAMN-QGZVFWFLSA-N 0 3 302.418 2.315 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)on1 ZINC001275350310 1091682894 /nfs/dbraw/zinc/68/28/94/1091682894.db2.gz ZZPXQNSGRBEZMF-LSDHHAIUSA-N 0 3 311.385 2.131 20 30 DEEDHN CCn1ccnc1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001275396880 1091713418 /nfs/dbraw/zinc/71/34/18/1091713418.db2.gz 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C=CCN1CCC2(CC1)CN(C(=O)C1(CF)CCC1)CCO2 ZINC000949194427 1092068717 /nfs/dbraw/zinc/06/87/17/1092068717.db2.gz VOVUDNQZEOBRFB-UHFFFAOYSA-N 0 3 310.413 2.006 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000949343743 1092116889 /nfs/dbraw/zinc/11/68/89/1092116889.db2.gz PHOVPJOOOLLOCG-OAHLLOKOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3cocc3C)CC2)C1 ZINC000949441090 1092146769 /nfs/dbraw/zinc/14/67/69/1092146769.db2.gz NWDWEMLBWRHYBP-UHFFFAOYSA-N 0 3 318.417 2.471 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(C)no3)CC2)C1=O ZINC001273819872 1092185279 /nfs/dbraw/zinc/18/52/79/1092185279.db2.gz XDUXOIGBYPVIOI-KRWDZBQOSA-N 0 3 303.406 2.374 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cc(C(C)(C)C)on1 ZINC001275882843 1092267853 /nfs/dbraw/zinc/26/78/53/1092267853.db2.gz UOXQLPGCENXDGF-CYBMUJFWSA-N 0 3 323.437 2.225 20 30 DEEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccoc2)cc1C#N ZINC001275944018 1092359546 /nfs/dbraw/zinc/35/95/46/1092359546.db2.gz XTLFSTNXTHSRRR-ROUUACIJSA-N 0 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/nfs/dbraw/zinc/01/54/10/1093015410.db2.gz CJQNZMMADYXGEK-HYVNUMGLSA-N 0 3 301.434 2.054 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001489347257 1093031519 /nfs/dbraw/zinc/03/15/19/1093031519.db2.gz IVKLEWKYMAPBMB-IXDOHACOSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001489982831 1093178285 /nfs/dbraw/zinc/17/82/85/1093178285.db2.gz CXUKCHDOBGGXTN-CQSZACIVSA-N 0 3 305.809 2.229 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001490132798 1093208611 /nfs/dbraw/zinc/20/86/11/1093208611.db2.gz MMIWLUQPJKGPON-ILXRZTDVSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001490565339 1093422295 /nfs/dbraw/zinc/42/22/95/1093422295.db2.gz JAYBEOPAPDKFLD-CHWSQXEVSA-N 0 3 323.462 2.448 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](N[C@H](C)c2n[nH]c(C)n2)C2CC2)C1 ZINC001490705171 1093473193 /nfs/dbraw/zinc/47/31/93/1093473193.db2.gz LLMPDXGEOKAORB-RISCZKNCSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1ccnc(OC)c1)C1CC1 ZINC001490692436 1093487944 /nfs/dbraw/zinc/48/79/44/1093487944.db2.gz DILJYVRZUUBVSE-OAHLLOKOSA-N 0 3 317.433 2.287 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001490752667 1093505369 /nfs/dbraw/zinc/50/53/69/1093505369.db2.gz OKLMMCFQUUVJCV-ZDUSSCGKSA-N 0 3 310.829 2.255 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](CN(C)C[C@@H](F)CC)C1 ZINC001490751256 1093506091 /nfs/dbraw/zinc/50/60/91/1093506091.db2.gz FHGZKTMVUUNIKH-GJZGRUSLSA-N 0 3 300.418 2.108 20 30 DEEDHN C=CCOC[C@H](O)CN[C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001252494055 1093567289 /nfs/dbraw/zinc/56/72/89/1093567289.db2.gz WDHQHHAZRZYSJK-ZIAGYGMSSA-N 0 3 320.216 2.180 20 30 DEEDHN N#CC(C(=O)C[C@@H]1COC(=O)C1)c1nccn1Cc1ccccc1 ZINC001649168866 1093736512 /nfs/dbraw/zinc/73/65/12/1093736512.db2.gz YMLDYEHJIMEZST-GJZGRUSLSA-N 0 3 323.352 2.061 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cc(C)cnc3F)C2)C1=O ZINC001274025157 1093771164 /nfs/dbraw/zinc/77/11/64/1093771164.db2.gz JMLNNCJWGQNABS-KRWDZBQOSA-N 0 3 303.381 2.140 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc2cncn21 ZINC001274110385 1093802031 /nfs/dbraw/zinc/80/20/31/1093802031.db2.gz JBVPXOFLYDXQEN-IBGZPJMESA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccc3cncn32)C1=O ZINC001274110412 1093802198 /nfs/dbraw/zinc/80/21/98/1093802198.db2.gz JWIWEMXPBTYXRW-IBGZPJMESA-N 0 3 324.428 2.477 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)[C@@H]1CCC=CCCC1 ZINC001274120166 1093806969 /nfs/dbraw/zinc/80/69/69/1093806969.db2.gz VVOHUDIJLKGMIN-FSMJYYTGSA-N 0 3 304.434 2.035 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cncnc3C)CC2)C1=O ZINC001274128832 1093811060 /nfs/dbraw/zinc/81/10/60/1093811060.db2.gz FLKHFSQKIIOQSY-SFHVURJKSA-N 0 3 314.433 2.176 20 30 DEEDHN C[C@H]1CN(CCCCNc2ccc(C#N)cc2CO)C[C@H](C)O1 ZINC001351987918 1151645320 /nfs/dbraw/zinc/64/53/20/1151645320.db2.gz SXBTWCTWAXZTBK-GJZGRUSLSA-N 0 3 317.433 2.352 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COc1ccccc1Cl ZINC001278009662 1138426511 /nfs/dbraw/zinc/42/65/11/1138426511.db2.gz BRBVPVAHBYWMKE-CYBMUJFWSA-N 0 3 308.809 2.179 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](CO)N[C@@H](C)c1cccc(F)c1 ZINC001278137893 1138773817 /nfs/dbraw/zinc/77/38/17/1138773817.db2.gz JUIRGCMYCRJJOC-WMLDXEAASA-N 0 3 320.408 2.147 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCO[C@H](CC)C1)C1CCN(CC=C)CC1 ZINC001278194529 1138826381 /nfs/dbraw/zinc/82/63/81/1138826381.db2.gz PTPBVRSFKPZISA-FUHWJXTLSA-N 0 3 318.461 2.304 20 30 DEEDHN CCc1ccc(CN2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)o1 ZINC001278248687 1138861075 /nfs/dbraw/zinc/86/10/75/1138861075.db2.gz LPRNUIGIDGAOOC-FZKQIMNGSA-N 0 3 313.401 2.226 20 30 DEEDHN CCCCCCCCCOC(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239338311 1139023708 /nfs/dbraw/zinc/02/37/08/1139023708.db2.gz QCBJKFAQTMILJE-KGLIPLIRSA-N 0 3 314.426 2.306 20 30 DEEDHN CCCCCCCCNC(=S)N[C@@H](C)[C@@H]1CNCCO1 ZINC001239376510 1139031602 /nfs/dbraw/zinc/03/16/02/1139031602.db2.gz ADPOKEFMPHRSQW-KBPBESRZSA-N 0 3 301.500 2.188 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c(F)c1 ZINC001278304536 1139177277 /nfs/dbraw/zinc/17/72/77/1139177277.db2.gz BGMGBABCHATJEW-PBHICJAKSA-N 0 3 301.365 2.175 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001296440394 1139787872 /nfs/dbraw/zinc/78/78/72/1139787872.db2.gz FFTNFQXEWJQRMF-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cncc(C#N)c1 ZINC001242271767 1139888328 /nfs/dbraw/zinc/88/83/28/1139888328.db2.gz HSNPBZAZMFFTFP-UHFFFAOYSA-N 0 3 309.373 2.459 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@H]1C ZINC001278355105 1140048066 /nfs/dbraw/zinc/04/80/66/1140048066.db2.gz JONURWRUUARMKR-MLGOLLRUSA-N 0 3 324.371 2.246 20 30 DEEDHN C[C@@H](CNC(=O)c1ncccc1F)NCc1ccc(C#N)s1 ZINC001491617452 1140204514 /nfs/dbraw/zinc/20/45/14/1140204514.db2.gz HCKLNBIVJZWHNF-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=CC1(CC(=O)NC[C@@H](C)NCC(=O)N(C)CC)CCCCC1 ZINC001491604941 1140244986 /nfs/dbraw/zinc/24/49/86/1140244986.db2.gz HHUPXCDDNSKUAN-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(CCOCCC(C)C)C1 ZINC001318471116 1140340525 /nfs/dbraw/zinc/34/05/25/1140340525.db2.gz PQBKRLCNKWZRFQ-GOSISDBHSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001318480995 1140343640 /nfs/dbraw/zinc/34/36/40/1140343640.db2.gz ZZDCVHLHEHWCIO-KRWDZBQOSA-N 0 3 314.429 2.273 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)C#N)NCC#Cc1ccc(Cl)cc1 ZINC001318508753 1140354397 /nfs/dbraw/zinc/35/43/97/1140354397.db2.gz WZDOFFDHDKTFDS-XJKSGUPXSA-N 0 3 317.820 2.336 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H]2CNCc2ccnn2C)CCC1 ZINC001319106484 1140505908 /nfs/dbraw/zinc/50/59/08/1140505908.db2.gz IQWMQUJGHPVRSE-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN CNCc1cc(-c2ccc(OC3CCOCC3)c(C#N)c2)ncn1 ZINC001245304289 1140606090 /nfs/dbraw/zinc/60/60/90/1140606090.db2.gz ITROAVLWVNOIAS-UHFFFAOYSA-N 0 3 324.384 2.292 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)c1ccc(F)cc1 ZINC001319602209 1140623158 /nfs/dbraw/zinc/62/31/58/1140623158.db2.gz BTNYFWUFPGBZKA-QGZVFWFLSA-N 0 3 320.408 2.210 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CN[C@H](C)C(N)=O)C1CCCCC1 ZINC001319651655 1140643816 /nfs/dbraw/zinc/64/38/16/1140643816.db2.gz PHKLSKKZRSDMAN-HIFRSBDPSA-N 0 3 323.481 2.117 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COC/C=C\c2ccccc2)C1 ZINC001278406117 1140643752 /nfs/dbraw/zinc/64/37/52/1140643752.db2.gz SFGNSDVWUKLPAS-KWEPMOPPSA-N 0 3 314.429 2.483 20 30 DEEDHN CC(C)[C@@H](CNC(=O)c1cnco1)NCC#Cc1ccccc1 ZINC001319928226 1140804866 /nfs/dbraw/zinc/80/48/66/1140804866.db2.gz KFKTUPPDZHVHDG-MRXNPFEDSA-N 0 3 311.385 2.070 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001320025458 1140813539 /nfs/dbraw/zinc/81/35/39/1140813539.db2.gz IAMJNJOFAGUMQI-STQMWFEESA-N 0 3 322.371 2.453 20 30 DEEDHN Cc1oncc1CN1CC[C@H]2CN(C(=O)C#CC(C)C)CC[C@H]21 ZINC001320103381 1140822266 /nfs/dbraw/zinc/82/22/66/1140822266.db2.gz KILIQZGJNMQNLH-DOTOQJQBSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](O)CNCc2ccccc2Cl)C1 ZINC001320275159 1140843631 /nfs/dbraw/zinc/84/36/31/1140843631.db2.gz UDBGQZYKGRSGBD-AWEZNQCLSA-N 0 3 322.836 2.263 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001320294991 1140845365 /nfs/dbraw/zinc/84/53/65/1140845365.db2.gz SNLZEYSWBVORRR-ZBFHGGJFSA-N 0 3 305.422 2.007 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001278427207 1140853854 /nfs/dbraw/zinc/85/38/54/1140853854.db2.gz PLUKJLMMZWARPM-INIZCTEOSA-N 0 3 312.335 2.413 20 30 DEEDHN CO[C@H](C)CC(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001320362822 1140855449 /nfs/dbraw/zinc/85/54/49/1140855449.db2.gz RVUNFIWULPEXST-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C)nn(C)c1Cl ZINC001320511782 1140873181 /nfs/dbraw/zinc/87/31/81/1140873181.db2.gz IGMUULNXPHWURZ-VIFPVBQESA-N 0 3 319.236 2.232 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)C=C1CCC1 ZINC001321489040 1141285093 /nfs/dbraw/zinc/28/50/93/1141285093.db2.gz CBBKWQYKURYOAV-CYBMUJFWSA-N 0 3 313.401 2.271 20 30 DEEDHN Cc1ncc(CNC[C@@]2(C)CCN(C(=O)C#CC(C)(C)C)C2)o1 ZINC001278491432 1141416196 /nfs/dbraw/zinc/41/61/96/1141416196.db2.gz PSKPPSRZDSUGNF-GOSISDBHSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001322263252 1141497591 /nfs/dbraw/zinc/49/75/91/1141497591.db2.gz XNYXTWWOTIWQKT-RRQGHBQHSA-N 0 3 302.418 2.421 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCNCc1ccn(C2CCCC2)n1 ZINC001322442358 1141590339 /nfs/dbraw/zinc/59/03/39/1141590339.db2.gz KITWHQRFQZCYPT-AWEZNQCLSA-N 0 3 317.437 2.096 20 30 DEEDHN CN(CCCNCc1cc(C#N)ccc1F)C(=O)[C@H]1CC12CC2 ZINC001322710734 1141691884 /nfs/dbraw/zinc/69/18/84/1141691884.db2.gz KKIBHMIZHSCLQE-OAHLLOKOSA-N 0 3 315.392 2.436 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](CNCc2ccccn2)C2CC2)cc1 ZINC001323052938 1141806427 /nfs/dbraw/zinc/80/64/27/1141806427.db2.gz UDLFUFLHCUYFJE-IBGZPJMESA-N 0 3 319.408 2.361 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc(OC)cc3F)no2)CCCN1 ZINC001249351788 1141877551 /nfs/dbraw/zinc/87/75/51/1141877551.db2.gz IXHGFGLSCTUFRY-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc4c(c3)C(=O)CC4)no2)CCCN1 ZINC001249351678 1141877578 /nfs/dbraw/zinc/87/75/78/1141877578.db2.gz BINLRKRFDDJZLJ-GOSISDBHSA-N 0 3 307.353 2.468 20 30 DEEDHN CCCCCCCN1CC(N(C)C(=O)Cn2cncc2C)C1 ZINC001323953387 1141914765 /nfs/dbraw/zinc/91/47/65/1141914765.db2.gz BYQNJCJYAVVGRR-UHFFFAOYSA-N 0 3 306.454 2.305 20 30 DEEDHN C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001278520995 1141950299 /nfs/dbraw/zinc/95/02/99/1141950299.db2.gz LEABZFGCLSUKRP-ZIAGYGMSSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001278520995 1141950307 /nfs/dbraw/zinc/95/03/07/1141950307.db2.gz LEABZFGCLSUKRP-ZIAGYGMSSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2nccnc2C)C[C@H]1C ZINC001324049076 1141981523 /nfs/dbraw/zinc/98/15/23/1141981523.db2.gz GKMTYCLQWOMWBP-UKRRQHHQSA-N 0 3 302.422 2.220 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001324212027 1142031652 /nfs/dbraw/zinc/03/16/52/1142031652.db2.gz AYFSGZRMSFWELL-QGZVFWFLSA-N 0 3 314.433 2.059 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001324213630 1142032985 /nfs/dbraw/zinc/03/29/85/1142032985.db2.gz PIFXXDWJMCQPET-GDBMZVCRSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)Cc2nc(C)sc2C)CC1 ZINC001324322930 1142056157 /nfs/dbraw/zinc/05/61/57/1142056157.db2.gz OSYCKINLTWVFLJ-UHFFFAOYSA-N 0 3 307.463 2.459 20 30 DEEDHN CC#CCNC[C@@H](NC(=O)COC)c1ccc2ccccc2c1 ZINC001324441714 1142078060 /nfs/dbraw/zinc/07/80/60/1142078060.db2.gz QYGQRWKGUJNPCS-GOSISDBHSA-N 0 3 310.397 2.256 20 30 DEEDHN C#CCN(C(=O)CCc1nccs1)C1CCN(CC=C)CC1 ZINC001324441733 1142078463 /nfs/dbraw/zinc/07/84/63/1142078463.db2.gz RAUJDCWNAUFGBN-UHFFFAOYSA-N 0 3 317.458 2.188 20 30 DEEDHN C#CCNC[C@@H](NC(=O)COCC=C)c1ccc2ccccc2c1 ZINC001324442373 1142078531 /nfs/dbraw/zinc/07/85/31/1142078531.db2.gz ZEGANIIRSNPADJ-LJQANCHMSA-N 0 3 322.408 2.423 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CSC(C)C)C2 ZINC001324549225 1142098141 /nfs/dbraw/zinc/09/81/41/1142098141.db2.gz KVXQYHGRZFIULO-KRWDZBQOSA-N 0 3 308.491 2.466 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COc2ccccc2)ccc1F ZINC001251243459 1142405542 /nfs/dbraw/zinc/40/55/42/1142405542.db2.gz RIORXCNPAFJIAU-HNNXBMFYSA-N 0 3 300.333 2.227 20 30 DEEDHN N#Cc1ccc(N2CCCN(C[C@@H](O)c3ccccc3)CC2)nc1 ZINC001251991644 1142581909 /nfs/dbraw/zinc/58/19/09/1142581909.db2.gz ZLKSQSYIWLMMSN-GOSISDBHSA-N 0 3 322.412 2.199 20 30 DEEDHN C=CCC[C@H](O)CNc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(C)n1 ZINC001252590928 1142772607 /nfs/dbraw/zinc/77/26/07/1142772607.db2.gz GDYLJJXRDDHGIE-NFAWXSAZSA-N 0 3 320.437 2.138 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001252597071 1142779156 /nfs/dbraw/zinc/77/91/56/1142779156.db2.gz WJRCLPVFEBCOEJ-CQSZACIVSA-N 0 3 310.438 2.399 20 30 DEEDHN C=CCC[C@H](O)CN1CCN(c2ccc(OC)cc2C)CC1 ZINC001252604023 1142785782 /nfs/dbraw/zinc/78/57/82/1142785782.db2.gz LCQJEDZXOKCZFM-INIZCTEOSA-N 0 3 304.434 2.453 20 30 DEEDHN C=CCC[C@H](O)CNCc1cncn1Cc1ccc(F)cc1 ZINC001252622402 1142794604 /nfs/dbraw/zinc/79/46/04/1142794604.db2.gz UFCGAKBAQHHEKD-KRWDZBQOSA-N 0 3 303.381 2.487 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCC(=O)N(CC)CC)C1 ZINC001278694006 1142840576 /nfs/dbraw/zinc/84/05/76/1142840576.db2.gz UUMIRJHJEZHLLC-SFHVURJKSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C[C@H](O)CN[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001253566019 1142880689 /nfs/dbraw/zinc/88/06/89/1142880689.db2.gz VEVPHALPQHQEPS-GJZGRUSLSA-N 0 3 306.406 2.389 20 30 DEEDHN C=C[C@@H](O)CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001253566595 1142881074 /nfs/dbraw/zinc/88/10/74/1142881074.db2.gz DUSFXGKNIUBIMJ-SJORKVTESA-N 0 3 316.401 2.191 20 30 DEEDHN C=CCn1c(-c2cocn2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001338940678 1142893570 /nfs/dbraw/zinc/89/35/70/1142893570.db2.gz ATHKGXVKFGTJKR-ZDUSSCGKSA-N 0 3 316.409 2.040 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccc(C(N)=O)cc3)CC2)C1 ZINC001254673841 1143308981 /nfs/dbraw/zinc/30/89/81/1143308981.db2.gz PZDWQGRDYZIQOM-UKRRQHHQSA-N 0 3 313.401 2.321 20 30 DEEDHN C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCN(CC(C)C)CC1 ZINC001340311390 1143322668 /nfs/dbraw/zinc/32/26/68/1143322668.db2.gz BLXCGGAACCJZQG-CABCVRRESA-N 0 3 303.454 2.366 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2ccc(OC)cn2)CC1 ZINC001340539598 1143367833 /nfs/dbraw/zinc/36/78/33/1143367833.db2.gz NAIXUQGUFQIEPJ-INIZCTEOSA-N 0 3 317.433 2.480 20 30 DEEDHN CC[C@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC001255160780 1143451095 /nfs/dbraw/zinc/45/10/95/1143451095.db2.gz PNZFCVPEUQXNFO-RBSFLKMASA-N 0 3 300.406 2.404 20 30 DEEDHN CC[C@H](CC#N)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001255167630 1143461370 /nfs/dbraw/zinc/46/13/70/1143461370.db2.gz DOCRMWRLQPRGNC-OAHLLOKOSA-N 0 3 301.438 2.029 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC001341041332 1143527212 /nfs/dbraw/zinc/52/72/12/1143527212.db2.gz JYWBXGVYJMDROG-CVEARBPZSA-N 0 3 315.417 2.284 20 30 DEEDHN C#Cc1ccc(NC(=O)CCNC(C)(C)c2cnn(C)c2)cc1 ZINC001341059660 1143532193 /nfs/dbraw/zinc/53/21/93/1143532193.db2.gz HPXIIPOJSBQUSY-UHFFFAOYSA-N 0 3 310.401 2.255 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC001341545644 1143627033 /nfs/dbraw/zinc/62/70/33/1143627033.db2.gz RRRZAIGLEYTFCN-CQSZACIVSA-N 0 3 306.406 2.394 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC001341792305 1143706118 /nfs/dbraw/zinc/70/61/18/1143706118.db2.gz TYGGZQXIAAJFSQ-HOTGVXAUSA-N 0 3 302.418 2.300 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)CC1CC1 ZINC001421668120 1171891054 /nfs/dbraw/zinc/89/10/54/1171891054.db2.gz ZKAOZTHJKKULAB-LBPRGKRZSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001278873214 1143766269 /nfs/dbraw/zinc/76/62/69/1143766269.db2.gz CVJBMCOXMSFJIL-PBHICJAKSA-N 0 3 322.424 2.256 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C#N)CC1 ZINC001342254753 1143807083 /nfs/dbraw/zinc/80/70/83/1143807083.db2.gz ZMMRHJUDIYBUAQ-OAHLLOKOSA-N 0 3 314.437 2.013 20 30 DEEDHN C=C(C)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCCN(C)C1 ZINC001342356060 1143812888 /nfs/dbraw/zinc/81/28/88/1143812888.db2.gz UYNRUYRHNNYHOP-ZDUSSCGKSA-N 0 3 315.425 2.141 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCc2nn(C)cc21)C(C)C ZINC001278917835 1143833692 /nfs/dbraw/zinc/83/36/92/1143833692.db2.gz KCQIQGVYOFYESS-OAHLLOKOSA-N 0 3 318.465 2.195 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc2n1[C@H](C)CCC2 ZINC001280813957 1143862203 /nfs/dbraw/zinc/86/22/03/1143862203.db2.gz KAZJHBTYJMPEPS-OAHLLOKOSA-N 0 3 316.449 2.198 20 30 DEEDHN C=CCN1CCC[C@@H](N[C@H]2COc3ccc(Cl)cc3C2)C1=O ZINC001257952280 1143961397 /nfs/dbraw/zinc/96/13/97/1143961397.db2.gz HMTLWNVJAQNVQC-HUUCEWRRSA-N 0 3 320.820 2.410 20 30 DEEDHN CC/C(C)=C\C(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001279079338 1143979273 /nfs/dbraw/zinc/97/92/73/1143979273.db2.gz KDUXMBUWWJOTTN-YARYAAFXSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCC[C@@H](C)n1nc(C(=O)N2CCCC2)c2c1CCNC2 ZINC001258727178 1144035836 /nfs/dbraw/zinc/03/58/36/1144035836.db2.gz FUXAAYJSFABGEI-CYBMUJFWSA-N 0 3 302.422 2.292 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@]1(C)CCN(C(=O)CN(CC)CC)C1 ZINC001299610888 1144120473 /nfs/dbraw/zinc/12/04/73/1144120473.db2.gz HZULTSCTGVTQBZ-GOSISDBHSA-N 0 3 323.481 2.039 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H](C2CC2)N(C)C)cc1 ZINC001262154195 1144296421 /nfs/dbraw/zinc/29/64/21/1144296421.db2.gz ZDXZGSXHEMIZDZ-OFAQMXQXSA-N 0 3 300.402 2.190 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2CC(C)(C)OC[C@@H]2C)cc1 ZINC001262275100 1144303397 /nfs/dbraw/zinc/30/33/97/1144303397.db2.gz RTPGFEUEWKVRNZ-AWEZNQCLSA-N 0 3 300.402 2.496 20 30 DEEDHN C=CC(C)(C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC001262779394 1144334514 /nfs/dbraw/zinc/33/45/14/1144334514.db2.gz AWMBEOVQDKXDHK-UHFFFAOYSA-N 0 3 303.406 2.076 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001263074806 1144353797 /nfs/dbraw/zinc/35/37/97/1144353797.db2.gz VAPHFVRKDZKCRL-CQSZACIVSA-N 0 3 323.824 2.421 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(F)(F)CC[C@@H]2C)CC1 ZINC001263084988 1144354379 /nfs/dbraw/zinc/35/43/79/1144354379.db2.gz LUEFDIHHBGBNSL-LBPRGKRZSA-N 0 3 301.381 2.466 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC001263097440 1144355630 /nfs/dbraw/zinc/35/56/30/1144355630.db2.gz WSHKQFTWZYHZEA-YOEHRIQHSA-N 0 3 319.424 2.452 20 30 DEEDHN Cc1nc2ccc(Cl)cn2c1NC(=O)[C@@H](N)CCCC#N ZINC001263268011 1144364740 /nfs/dbraw/zinc/36/47/40/1144364740.db2.gz UUKQKGYOABOPOQ-NSHDSACASA-N 0 3 305.769 2.256 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001263803157 1144395426 /nfs/dbraw/zinc/39/54/26/1144395426.db2.gz YNQUBLGRUPWMCR-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)C[C@H]2CCN2CC)cc1 ZINC001263821032 1144399897 /nfs/dbraw/zinc/39/98/97/1144399897.db2.gz LDTYGSNEOZNLRL-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1cccc(C)c1 ZINC001263820829 1144400594 /nfs/dbraw/zinc/40/05/94/1144400594.db2.gz HQOZIHVGCQCDCO-INIZCTEOSA-N 0 3 302.418 2.483 20 30 DEEDHN COCC#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)C)C2)CC1 ZINC001263934565 1144426660 /nfs/dbraw/zinc/42/66/60/1144426660.db2.gz GMLOGBZRZWRHCZ-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H](C)C(C)C)n1 ZINC001264028464 1144442859 /nfs/dbraw/zinc/44/28/59/1144442859.db2.gz XKKHBXZJUVQPGB-CYBMUJFWSA-N 0 3 320.437 2.146 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)CC=C(C)C ZINC001264182491 1144497730 /nfs/dbraw/zinc/49/77/30/1144497730.db2.gz PVNBXOMCJQDNKR-IRXDYDNUSA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cn2ccccc2n1 ZINC001264187433 1144500607 /nfs/dbraw/zinc/50/06/07/1144500607.db2.gz TUWQELRPEUFQKY-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN([C@H](C)C(=O)NC)CC(C)(C)C1 ZINC001264195150 1144505187 /nfs/dbraw/zinc/50/51/87/1144505187.db2.gz NFJOHUYEEXQNPJ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1scnc1C ZINC001264377154 1144519444 /nfs/dbraw/zinc/51/94/44/1144519444.db2.gz WEIZDMZXVGHKIR-AWEZNQCLSA-N 0 3 307.463 2.493 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C=C2CCC2)C1 ZINC001264418282 1144534927 /nfs/dbraw/zinc/53/49/27/1144534927.db2.gz NHDZYTHBBPUOQK-JOCQHMNTSA-N 0 3 313.239 2.490 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC001265068097 1144636641 /nfs/dbraw/zinc/63/66/41/1144636641.db2.gz XIMZUVDSDSDPCN-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN C#CCN(CCCNC(=O)c1cncc(OC(C)C)c1)C1CC1 ZINC001265171865 1144660020 /nfs/dbraw/zinc/66/00/20/1144660020.db2.gz YUFMBFBTPKWXPN-UHFFFAOYSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(C)nc1OCC)C1CC1 ZINC001265180214 1144661719 /nfs/dbraw/zinc/66/17/19/1144661719.db2.gz PEALJHYFBINFGV-UHFFFAOYSA-N 0 3 315.417 2.006 20 30 DEEDHN CC#CCN(CCCNC(=O)c1sc(C)nc1C)C1CC1 ZINC001265182423 1144662217 /nfs/dbraw/zinc/66/22/17/1144662217.db2.gz BSJKDHOEPXLYBW-UHFFFAOYSA-N 0 3 305.447 2.368 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H](C)c2ccco2)CC1 ZINC001265249502 1144675614 /nfs/dbraw/zinc/67/56/14/1144675614.db2.gz NBJCCKFRWWQMLI-INIZCTEOSA-N 0 3 319.449 2.083 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001265248107 1144675688 /nfs/dbraw/zinc/67/56/88/1144675688.db2.gz XXXUCSIUUFPFML-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCn2cnc3ccccc32)C1 ZINC001265292797 1144684946 /nfs/dbraw/zinc/68/49/46/1144684946.db2.gz RVYXOJKUBZVNJQ-HNNXBMFYSA-N 0 3 312.417 2.193 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001265422429 1144703452 /nfs/dbraw/zinc/70/34/52/1144703452.db2.gz MGHLVINONOUGPG-HNNXBMFYSA-N 0 3 314.385 2.326 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001265474057 1144705905 /nfs/dbraw/zinc/70/59/05/1144705905.db2.gz JGVSVUHBQJDAIP-KBAYOESNSA-N 0 3 314.429 2.090 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](NCc2cnoc2C)C1 ZINC001265551706 1144711210 /nfs/dbraw/zinc/71/12/10/1144711210.db2.gz JCQPLDTUIXQSHZ-IYBDPMFKSA-N 0 3 303.406 2.304 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC001265554180 1144711728 /nfs/dbraw/zinc/71/17/28/1144711728.db2.gz MQUXFWPVRPNCLM-LJISPDSOSA-N 0 3 302.422 2.377 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001265586489 1144715263 /nfs/dbraw/zinc/71/52/63/1144715263.db2.gz IDHSKNDMVAIPKX-IAGOWNOFSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001265657935 1144723499 /nfs/dbraw/zinc/72/34/99/1144723499.db2.gz NODQDQSRUAXSAU-ROUUACIJSA-N 0 3 315.461 2.446 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2occc2C)C1 ZINC001265706132 1144731642 /nfs/dbraw/zinc/73/16/42/1144731642.db2.gz RBRJVVRQOHWWPM-HOTGVXAUSA-N 0 3 302.418 2.371 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2ncccc2C)cc1 ZINC001265806406 1144742505 /nfs/dbraw/zinc/74/25/05/1144742505.db2.gz CXWSPZZUAWMQPU-OAHLLOKOSA-N 0 3 307.397 2.279 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001265947600 1144765652 /nfs/dbraw/zinc/76/56/52/1144765652.db2.gz QPXVPWQCXQIXHI-RDJZCZTQSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001265966404 1144772568 /nfs/dbraw/zinc/77/25/68/1144772568.db2.gz PNUVPGLLXRAJJP-MRXNPFEDSA-N 0 3 302.418 2.224 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001266052083 1144800701 /nfs/dbraw/zinc/80/07/01/1144800701.db2.gz OYEMYEBJOKMEFD-KGLIPLIRSA-N 0 3 323.462 2.171 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001279488903 1144823036 /nfs/dbraw/zinc/82/30/36/1144823036.db2.gz BIMOPUMZBLEQJM-KRWDZBQOSA-N 0 3 324.371 2.098 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001279618914 1144826060 /nfs/dbraw/zinc/82/60/60/1144826060.db2.gz SGCZSPUKRBOVNX-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN CCc1nc(C)c(CNCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001279999655 1144830817 /nfs/dbraw/zinc/83/08/17/1144830817.db2.gz OMDBVIXTKYHBMU-OCCSQVGLSA-N 0 3 318.421 2.033 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNC/C=C\Cl)C1 ZINC001280628347 1144847330 /nfs/dbraw/zinc/84/73/30/1144847330.db2.gz JCVFQIWHFUTWHL-QDPGXPNISA-N 0 3 300.830 2.158 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001280628349 1144847375 /nfs/dbraw/zinc/84/73/75/1144847375.db2.gz JCVFQIWHFUTWHL-ZNTRNPIHSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001280681627 1144849431 /nfs/dbraw/zinc/84/94/31/1144849431.db2.gz FFVPVJSFWIGRBP-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001280757346 1144853481 /nfs/dbraw/zinc/85/34/81/1144853481.db2.gz VGUPMTYDQMUPRO-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CCN(C(=O)CN(CC)CC)CC1 ZINC001280890019 1144861530 /nfs/dbraw/zinc/86/15/30/1144861530.db2.gz QTGWPTZGNVEMOB-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001281331136 1144883042 /nfs/dbraw/zinc/88/30/42/1144883042.db2.gz QKZIQDFMAOKPNQ-ZBFHGGJFSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1c2ccccc2CCN1C(C)C ZINC001281775634 1144913136 /nfs/dbraw/zinc/91/31/36/1144913136.db2.gz CMGCOIDRGIEUEP-SFHVURJKSA-N 0 3 314.429 2.150 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)N(C)C(C)C ZINC001281852598 1144916715 /nfs/dbraw/zinc/91/67/15/1144916715.db2.gz DSIOIVOBCKGRBR-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001281950044 1144922892 /nfs/dbraw/zinc/92/28/92/1144922892.db2.gz PSWSQIDFRUQETP-OAHLLOKOSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC001281955350 1144924039 /nfs/dbraw/zinc/92/40/39/1144924039.db2.gz LSWZLVPSXKCVIL-CYBMUJFWSA-N 0 3 303.406 2.276 20 30 DEEDHN CCN1CCN(C[C@@H](C)CNc2cc(F)ccc2C#N)CC1 ZINC001364136153 1145032000 /nfs/dbraw/zinc/03/20/00/1145032000.db2.gz UAYOGXRRJYLGQG-AWEZNQCLSA-N 0 3 304.413 2.383 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1c[nH]c2ccccc21 ZINC001282424257 1145065535 /nfs/dbraw/zinc/06/55/35/1145065535.db2.gz MOTCUTNYZIETOS-CQSZACIVSA-N 0 3 315.417 2.421 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001282737090 1145154222 /nfs/dbraw/zinc/15/42/22/1145154222.db2.gz BKXQWQXJSDXUSR-UONOGXRCSA-N 0 3 302.393 2.389 20 30 DEEDHN CC1(C)CN(CCCCCF)C[C@@H]1NC(=O)CSCC#N ZINC001282787503 1145164262 /nfs/dbraw/zinc/16/42/62/1145164262.db2.gz ZAOFEGCWEYVAHJ-ZDUSSCGKSA-N 0 3 315.458 2.210 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2nccs2)C(C)(C)C1 ZINC001282833178 1145173843 /nfs/dbraw/zinc/17/38/43/1145173843.db2.gz IZWFILLSBGOTDP-CYBMUJFWSA-N 0 3 307.463 2.478 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCOCC)C[C@@H]2C1 ZINC001282940298 1145207638 /nfs/dbraw/zinc/20/76/38/1145207638.db2.gz QNCOXWYSTDBQTE-ZNMIVQPWSA-N 0 3 314.857 2.382 20 30 DEEDHN N#CC1(CC[NH+]2CCC(Cc3nnn[n-]3)CC2)CCCCC1 ZINC001364512527 1145309015 /nfs/dbraw/zinc/30/90/15/1145309015.db2.gz HXJLSKQYWWFUIV-UHFFFAOYSA-N 0 3 302.426 2.318 20 30 DEEDHN N#CC1(CC[NH+]2CCC(Cc3nn[n-]n3)CC2)CCCCC1 ZINC001364512527 1145309019 /nfs/dbraw/zinc/30/90/19/1145309019.db2.gz HXJLSKQYWWFUIV-UHFFFAOYSA-N 0 3 302.426 2.318 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](OC(C)C)c2ccccc2)C1 ZINC001493271160 1145347468 /nfs/dbraw/zinc/34/74/68/1145347468.db2.gz VOKAULIDQNEHOC-WMZOPIPTSA-N 0 3 314.429 2.224 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001283572874 1145529693 /nfs/dbraw/zinc/52/96/93/1145529693.db2.gz WZVPSEWOXLHTJF-QGZVFWFLSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC1CCCC1 ZINC001480468857 1151824412 /nfs/dbraw/zinc/82/44/12/1151824412.db2.gz SDFGFCFNWXDSDH-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1 ZINC001283607365 1145542839 /nfs/dbraw/zinc/54/28/39/1145542839.db2.gz AWDWJDDOLFCEEO-ZDUSSCGKSA-N 0 3 307.825 2.331 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001283640957 1145557857 /nfs/dbraw/zinc/55/78/57/1145557857.db2.gz YNZYAFPBUDFOCH-CQSZACIVSA-N 0 3 314.429 2.430 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001283704867 1145601882 /nfs/dbraw/zinc/60/18/82/1145601882.db2.gz LCJGTJZNWVUGIV-FAEJEUNOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001283966306 1145729221 /nfs/dbraw/zinc/72/92/21/1145729221.db2.gz SKMHUHXKAYNTKU-ZFWWWQNUSA-N 0 3 306.381 2.107 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3c(s2)CCC3)C1 ZINC001284025437 1145756357 /nfs/dbraw/zinc/75/63/57/1145756357.db2.gz KLUASXDDNOWKDF-JSGCOSHPSA-N 0 3 302.443 2.453 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccccc2)[C@@H]1C ZINC001284156114 1145809744 /nfs/dbraw/zinc/80/97/44/1145809744.db2.gz WXSCCUGHFACZMC-DOTOQJQBSA-N 0 3 300.402 2.058 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H](O)CN(C)Cc1csc(C)c1 ZINC001284491063 1145862579 /nfs/dbraw/zinc/86/25/79/1145862579.db2.gz DEGZFTKKSFMKFN-INIZCTEOSA-N 0 3 322.474 2.111 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001284516719 1145866289 /nfs/dbraw/zinc/86/62/89/1145866289.db2.gz 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1146019440 /nfs/dbraw/zinc/01/94/40/1146019440.db2.gz AMHAFOMSMAHVPF-MRXNPFEDSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)[C@@H]1C ZINC001288012463 1146762087 /nfs/dbraw/zinc/76/20/87/1146762087.db2.gz NOCCIZZMDTWYNM-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001289913480 1146825456 /nfs/dbraw/zinc/82/54/56/1146825456.db2.gz MGEGFDNQBKIIRD-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001290149061 1146833333 /nfs/dbraw/zinc/83/33/33/1146833333.db2.gz GOCISRRWPCDMDE-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1CC ZINC001290431932 1146836403 /nfs/dbraw/zinc/83/64/03/1146836403.db2.gz SSQWNJLLJHFMJJ-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cn1cc(C)cn1 ZINC001365922673 1146911871 /nfs/dbraw/zinc/91/18/71/1146911871.db2.gz PFRHWFAPQIPWDQ-HUUCEWRRSA-N 0 3 324.856 2.303 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cnsn1 ZINC001492142949 1147094467 /nfs/dbraw/zinc/09/44/67/1147094467.db2.gz XRHXSGKWUUENSD-LLVKDONJSA-N 0 3 314.842 2.265 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492315700 1147210363 /nfs/dbraw/zinc/21/03/63/1147210363.db2.gz DVFNQZLOWLYIPN-STQMWFEESA-N 0 3 304.356 2.426 20 30 DEEDHN C[C@H](CCNC(=O)[C@@H]1CC1(F)F)NCc1ccccc1C#N ZINC001366460622 1147294741 /nfs/dbraw/zinc/29/47/41/1147294741.db2.gz UJNVYVYOLIYTFF-RISCZKNCSA-N 0 3 307.344 2.198 20 30 DEEDHN C#CCCCCCCN1CCN(C(=O)CN(CC)CC)CC1 ZINC001307459989 1147427844 /nfs/dbraw/zinc/42/78/44/1147427844.db2.gz AETVSCZGZKHMDX-UHFFFAOYSA-N 0 3 307.482 2.056 20 30 DEEDHN C#CCC[C@H](O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308925830 1147489535 /nfs/dbraw/zinc/48/95/35/1147489535.db2.gz QTKVQPKLRITASQ-LBPRGKRZSA-N 0 3 316.279 2.478 20 30 DEEDHN CCN(CCNC(=O)C=C(C)C)Cc1ccc(OCC#N)cc1 ZINC001317475938 1147495679 /nfs/dbraw/zinc/49/56/79/1147495679.db2.gz SJGVXUKYGYWCQB-UHFFFAOYSA-N 0 3 315.417 2.493 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccc(F)cc1NC(C)=O ZINC001317480065 1147512136 /nfs/dbraw/zinc/51/21/36/1147512136.db2.gz RPSCPGOQWHLJKV-UHFFFAOYSA-N 0 3 307.369 2.022 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccc(OC)c(OC)c1C ZINC001317481255 1147514038 /nfs/dbraw/zinc/51/40/38/1147514038.db2.gz DSGYIYPWZYYFSQ-UHFFFAOYSA-N 0 3 306.406 2.250 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001317494778 1147522602 /nfs/dbraw/zinc/52/26/02/1147522602.db2.gz QEFTYIBRGBZRHA-CYBMUJFWSA-N 0 3 311.813 2.065 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001317499424 1147532403 /nfs/dbraw/zinc/53/24/03/1147532403.db2.gz NDZDQFNEVSIHCH-NVXWUHKLSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC001316743935 1147540905 /nfs/dbraw/zinc/54/09/05/1147540905.db2.gz LAFLAQDICQYKQC-INIZCTEOSA-N 0 3 320.408 2.219 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCn3cnc4ccccc43)C2)C1 ZINC001313441168 1147562589 /nfs/dbraw/zinc/56/25/89/1147562589.db2.gz YUHIBDCJVWVDBT-UHFFFAOYSA-N 0 3 324.428 2.147 20 30 DEEDHN C=C(C)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C=C(C)CC)n1 ZINC001316716535 1147576349 /nfs/dbraw/zinc/57/63/49/1147576349.db2.gz VOCFEHDPVOHQTE-MDWZMJQESA-N 0 3 318.421 2.211 20 30 DEEDHN C=CCOCCCC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001316768637 1147576747 /nfs/dbraw/zinc/57/67/47/1147576747.db2.gz QZZZWGAKEQENSC-OAHLLOKOSA-N 0 3 300.418 2.300 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001316764207 1147595916 /nfs/dbraw/zinc/59/59/16/1147595916.db2.gz OFGPPWOBDJCFDX-ZWKOTPCHSA-N 0 3 320.477 2.243 20 30 DEEDHN C=C(C)CCC(=O)N1CCCCC[C@@H](NCC(=O)N(C)CC)C1 ZINC001316771786 1147596653 /nfs/dbraw/zinc/59/66/53/1147596653.db2.gz OKCTYLMGLUXBPH-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1cn(C)nc1C ZINC001316804110 1147602867 /nfs/dbraw/zinc/60/28/67/1147602867.db2.gz BITBYNRWGGGHPB-KRWDZBQOSA-N 0 3 318.465 2.160 20 30 DEEDHN CS[C@@H](C)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001316814145 1147605552 /nfs/dbraw/zinc/60/55/52/1147605552.db2.gz NXDUFASDWWBOQL-OOHWJJMZSA-N 0 3 316.470 2.274 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1ccc(Cl)c(C)c1 ZINC001316845984 1147614090 /nfs/dbraw/zinc/61/40/90/1147614090.db2.gz UEEFHCWMVKYAAE-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001367081926 1147646497 /nfs/dbraw/zinc/64/64/97/1147646497.db2.gz AQMUQWXGNJUUNO-RYUDHWBXSA-N 0 3 309.435 2.029 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001317048191 1147653116 /nfs/dbraw/zinc/65/31/16/1147653116.db2.gz PZUBAWRHGJAVEW-CWRNSKLLSA-N 0 3 314.433 2.429 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOC1 ZINC001317049181 1147653208 /nfs/dbraw/zinc/65/32/08/1147653208.db2.gz DNZDMKQZUUDDGB-CBZIJGRNSA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2cccc(OC)n2)C1 ZINC001317087509 1147658322 /nfs/dbraw/zinc/65/83/22/1147658322.db2.gz SPGVROWBGUABLO-WKILWMFISA-N 0 3 315.417 2.021 20 30 DEEDHN Cc1nc(C)c(CN[C@@H](C)CCNC(=O)C#CC(C)(C)C)o1 ZINC001480765082 1147660898 /nfs/dbraw/zinc/66/08/98/1147660898.db2.gz YENQUFNZAFGEQK-LBPRGKRZSA-N 0 3 305.422 2.325 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC/C(Cl)=C/Cl)CC1 ZINC001367188810 1147661989 /nfs/dbraw/zinc/66/19/89/1147661989.db2.gz VYKISILARCOMSO-VTRHIXLQSA-N 0 3 304.221 2.482 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)COc2ccc(Cl)cc2)C1 ZINC001317145058 1147666329 /nfs/dbraw/zinc/66/63/29/1147666329.db2.gz WOKVPOUBRJNFHU-AWEZNQCLSA-N 0 3 320.820 2.180 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCNC(=O)C(C)(C)C ZINC001317173298 1147670776 /nfs/dbraw/zinc/67/07/76/1147670776.db2.gz KFDMJIRIJCGGOH-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN Cc1ncccc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001367268154 1147671719 /nfs/dbraw/zinc/67/17/19/1147671719.db2.gz CBLHJQDQPHISKV-CQSZACIVSA-N 0 3 322.412 2.417 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CC)CCOCC2)C1 ZINC001317203168 1147675522 /nfs/dbraw/zinc/67/55/22/1147675522.db2.gz HSVYWMRIIXUFKJ-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CC(C)(C)c1ccccc1 ZINC001317294970 1147686657 /nfs/dbraw/zinc/68/66/57/1147686657.db2.gz SOQNCMVRMQTFHK-MRXNPFEDSA-N 0 3 316.445 2.098 20 30 DEEDHN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)Cn1cncc1C ZINC001367417104 1147691382 /nfs/dbraw/zinc/69/13/82/1147691382.db2.gz HRFVVOVZKNSPNV-CQSZACIVSA-N 0 3 312.845 2.065 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCN1C[C@@H]1CC(C)(C)CO1 ZINC001317505234 1147717045 /nfs/dbraw/zinc/71/70/45/1147717045.db2.gz NPSJVCPXYSXJMR-CVEARBPZSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(OCCOC)c1 ZINC001317513620 1147718504 /nfs/dbraw/zinc/71/85/04/1147718504.db2.gz NARCXEXURVCGQV-INIZCTEOSA-N 0 3 318.417 2.092 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccccc2F)C1 ZINC001317521761 1147719636 /nfs/dbraw/zinc/71/96/36/1147719636.db2.gz ZSBIFCLLVKFTFP-CABCVRRESA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2coc3cc(F)ccc23)C1 ZINC001317523768 1147719878 /nfs/dbraw/zinc/71/98/78/1147719878.db2.gz URLPNIBYMUKXCA-ZDUSSCGKSA-N 0 3 314.360 2.186 20 30 DEEDHN CCO[C@H](CN(CCNC(=O)C#CC(C)(C)C)C1CC1)C1CC1 ZINC001317552702 1147724081 /nfs/dbraw/zinc/72/40/81/1147724081.db2.gz LSZFVNBDNAUCIE-QGZVFWFLSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c(C2CCC2)cnn1C)C1CC1 ZINC001317552400 1147724342 /nfs/dbraw/zinc/72/43/42/1147724342.db2.gz VAKLSGJEFJSIFJ-UHFFFAOYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN(CCNC(=O)c1ccnn1-c1ccccc1)C1CC1 ZINC001317553583 1147724351 /nfs/dbraw/zinc/72/43/51/1147724351.db2.gz NUWLUVJOMXTOBZ-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001367684187 1147726615 /nfs/dbraw/zinc/72/66/15/1147726615.db2.gz JYCNWKBZTLFPSN-DFBGVHRSSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001367700188 1147729103 /nfs/dbraw/zinc/72/91/03/1147729103.db2.gz UCFQFCNWYUVMIB-XNRPHZJLSA-N 0 3 315.417 2.207 20 30 DEEDHN Cc1nc(C(C)C)ccc1CNCCN(C)C(=O)C#CC1CC1 ZINC001317586136 1147729563 /nfs/dbraw/zinc/72/95/63/1147729563.db2.gz ZGIYTGREZLLYDA-UHFFFAOYSA-N 0 3 313.445 2.475 20 30 DEEDHN Cc1cccc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)n1 ZINC001367719250 1147732323 /nfs/dbraw/zinc/73/23/23/1147732323.db2.gz JMATZHRVEPGLGL-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCN[C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001317622697 1147734372 /nfs/dbraw/zinc/73/43/72/1147734372.db2.gz BELPONHNSXWJTN-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccn(C)c1 ZINC001367798527 1147748235 /nfs/dbraw/zinc/74/82/35/1147748235.db2.gz SMNAYSYSSUNWQA-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN CCCC[C@H](C)C(=O)NCC[C@@H]1CCN(CC#CCOC)C1 ZINC001317782044 1147751810 /nfs/dbraw/zinc/75/18/10/1147751810.db2.gz LPJXGGQNAKWQMJ-DLBZAZTESA-N 0 3 308.466 2.291 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001317790027 1147752659 /nfs/dbraw/zinc/75/26/59/1147752659.db2.gz QFFNSWSFQJODPH-HKUYNNGSSA-N 0 3 318.461 2.211 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H](C)c2ccco2)CC1 ZINC001317823528 1147755393 /nfs/dbraw/zinc/75/53/93/1147755393.db2.gz XVYSPULVEFTJAH-MRXNPFEDSA-N 0 3 319.449 2.035 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2c(C)cccc2C)C1 ZINC001317991587 1147764914 /nfs/dbraw/zinc/76/49/14/1147764914.db2.gz KWMAKRHHBMXTDD-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](NC(=O)C(C)C)C1CC1 ZINC001367887587 1147765940 /nfs/dbraw/zinc/76/59/40/1147765940.db2.gz ICSVEPUXJCQJEB-INIZCTEOSA-N 0 3 315.417 2.207 20 30 DEEDHN C=CCOCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001318105757 1147772313 /nfs/dbraw/zinc/77/23/13/1147772313.db2.gz CNUBTMXHRYSZKI-UHFFFAOYSA-N 0 3 302.418 2.054 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCOc1ccc(F)cc1 ZINC001318215576 1147799231 /nfs/dbraw/zinc/79/92/31/1147799231.db2.gz HLIXZTPLICBNSP-HOTGVXAUSA-N 0 3 318.392 2.456 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)CCOCC1 ZINC001318225113 1147801348 /nfs/dbraw/zinc/80/13/48/1147801348.db2.gz WBJWUUZQDATIFN-IRXDYDNUSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CC2)c1 ZINC001318225082 1147801466 /nfs/dbraw/zinc/80/14/66/1147801466.db2.gz YTDLMGLJCCRTKH-IRXDYDNUSA-N 0 3 314.433 2.158 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001318232784 1147802178 /nfs/dbraw/zinc/80/21/78/1147802178.db2.gz NDBZKZPPECZNOF-ZOBUZTSGSA-N 0 3 312.413 2.414 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2OC)C1 ZINC001318299463 1147808962 /nfs/dbraw/zinc/80/89/62/1147808962.db2.gz BZUQPRRVEQTWJQ-HOTGVXAUSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN1CCC[C@@](C)(CNC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001324935395 1147860069 /nfs/dbraw/zinc/86/00/69/1147860069.db2.gz DLDYIYWKNYCEAP-IBGZPJMESA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001325139074 1147879322 /nfs/dbraw/zinc/87/93/22/1147879322.db2.gz ZLPMEOAJAFQKEV-APWZRJJASA-N 0 3 316.445 2.228 20 30 DEEDHN C=CCO[C@H]1CCN(CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001325229342 1147886050 /nfs/dbraw/zinc/88/60/50/1147886050.db2.gz YMJUGMAQVUZRCS-AWEZNQCLSA-N 0 3 301.390 2.409 20 30 DEEDHN C=C[C@@H](COC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001325881796 1148013113 /nfs/dbraw/zinc/01/31/13/1148013113.db2.gz YFXRLIMHARWJGI-QWHCGFSZSA-N 0 3 319.323 2.236 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)co1 ZINC001325900339 1148017048 /nfs/dbraw/zinc/01/70/48/1148017048.db2.gz UFRTVTGGUATMSO-JKSUJKDBSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CCCC(C)=O)C1 ZINC001326189279 1148052996 /nfs/dbraw/zinc/05/29/96/1148052996.db2.gz BNUWBLIKIYASKX-CQSZACIVSA-N 0 3 300.830 2.326 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001326209774 1148057802 /nfs/dbraw/zinc/05/78/02/1148057802.db2.gz ZDUZYYGBBFBJIQ-KBPBESRZSA-N 0 3 300.830 2.136 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1c(C)nnn1CC ZINC001326690715 1148204089 /nfs/dbraw/zinc/20/40/89/1148204089.db2.gz HKAHUWFJTNGSPW-OAHLLOKOSA-N 0 3 319.453 2.043 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1cncc(F)c1)C1CCCC1 ZINC001368131651 1148263467 /nfs/dbraw/zinc/26/34/67/1148263467.db2.gz BZLZEQUZNUQUGX-WBMJQRKESA-N 0 3 318.396 2.145 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2cccc(F)c2F)CCC1 ZINC001326938197 1148295687 /nfs/dbraw/zinc/29/56/87/1148295687.db2.gz RSWFLTDZOWWMHE-UHFFFAOYSA-N 0 3 306.356 2.159 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000424135398 230600109 /nfs/dbraw/zinc/60/01/09/230600109.db2.gz MFXQHBHRYSISCL-DOTOQJQBSA-N 0 3 308.385 2.308 20 30 DEEDHN Cc1cc(Br)ccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424144217 230601097 /nfs/dbraw/zinc/60/10/97/230601097.db2.gz RWMSULNIJUHBNP-ZDUSSCGKSA-N 0 3 324.222 2.395 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000278542335 214225252 /nfs/dbraw/zinc/22/52/52/214225252.db2.gz GAPPWCIWBDODAS-IBGZPJMESA-N 0 3 316.445 2.137 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c(F)cc(C#N)cc1F ZINC000153008118 282159367 /nfs/dbraw/zinc/15/93/67/282159367.db2.gz PFWXKRSXOYDSNY-HZMBPMFUSA-N 0 3 307.344 2.249 20 30 DEEDHN CC[C@H](N[C@H]1CCOC[C@H]1OCCOC)c1ccc(C#N)cc1 ZINC000447602180 529672289 /nfs/dbraw/zinc/67/22/89/529672289.db2.gz RQAPVIDMARECJX-OKZBNKHCSA-N 0 3 318.417 2.419 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc([S@@](C)=O)c2)nc(C)n1 ZINC000613760335 362201215 /nfs/dbraw/zinc/20/12/15/362201215.db2.gz OYTXOKUIIGYJNJ-JLCFBVMHSA-N 0 3 313.382 2.321 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(C(F)(F)F)CCC2)C[C@H]1C ZINC001328254641 1148754982 /nfs/dbraw/zinc/75/49/82/1148754982.db2.gz FJHAMEIRTJTIMW-NEPJUHHUSA-N 0 3 302.340 2.321 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@@H]1CCCc2c(O)cccc21 ZINC000192357842 529867460 /nfs/dbraw/zinc/86/74/60/529867460.db2.gz POZBAEPHPMTADY-OAHLLOKOSA-N 0 3 301.390 2.121 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cc(C#N)ccc1OC ZINC000614206356 362314809 /nfs/dbraw/zinc/31/48/09/362314809.db2.gz SSMVOQWRPLTYAA-NVXWUHKLSA-N 0 3 315.417 2.303 20 30 DEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)n1 ZINC000302439398 529958520 /nfs/dbraw/zinc/95/85/20/529958520.db2.gz MUYZKXHMBLONDR-IBGZPJMESA-N 0 3 322.412 2.026 20 30 DEEDHN C=C[C@](C)(O)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000614729617 362449262 /nfs/dbraw/zinc/44/92/62/362449262.db2.gz RQEVZRSLPHYUAY-RBUKOAKNSA-N 0 3 314.429 2.048 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000614729619 362449313 /nfs/dbraw/zinc/44/93/13/362449313.db2.gz RQEVZRSLPHYUAY-RTBURBONSA-N 0 3 314.429 2.048 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](CO)c1ccccc1 ZINC000331335438 530051370 /nfs/dbraw/zinc/05/13/70/530051370.db2.gz UQAKBXMPXUDLBD-CVEARBPZSA-N 0 3 319.449 2.344 20 30 DEEDHN C=CCN(C(=O)CCN1CCN(CC)CC1)c1ccccc1 ZINC000615001226 362508396 /nfs/dbraw/zinc/50/83/96/362508396.db2.gz BIEJCDVRNIJQQH-UHFFFAOYSA-N 0 3 301.434 2.233 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCOC2(C1)CCCCCC2 ZINC000092801656 282395591 /nfs/dbraw/zinc/39/55/91/282395591.db2.gz OOJRZWIZYBUXIP-UHFFFAOYSA-N 0 3 307.438 2.174 20 30 DEEDHN C=C(CNCc1cnc(N2CCN(C)CC2)nc1)c1ccccc1 ZINC000268553649 539794704 /nfs/dbraw/zinc/79/47/04/539794704.db2.gz MYRDCPQSMAANPF-UHFFFAOYSA-N 0 3 323.444 2.031 20 30 DEEDHN N#Cc1ccc(F)cc1CN1CCC(CN2CCOCC2)CC1 ZINC000159665170 186134278 /nfs/dbraw/zinc/13/42/78/186134278.db2.gz HDPUDFURWPPLOF-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccon1 ZINC001098987404 781929316 /nfs/dbraw/zinc/92/93/16/781929316.db2.gz BFQMJLDPYBEVHR-HNNXBMFYSA-N 0 3 305.422 2.400 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595516287 358471463 /nfs/dbraw/zinc/47/14/63/358471463.db2.gz RZTWRIIMLNSZRZ-UHFFFAOYSA-N 0 3 312.417 2.050 20 30 DEEDHN Cc1cn2cc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)ccc2n1 ZINC000328610856 539908713 /nfs/dbraw/zinc/90/87/13/539908713.db2.gz OASXGIRHVIWGMV-OAHLLOKOSA-N 0 3 311.389 2.134 20 30 DEEDHN CCC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000329244120 539916333 /nfs/dbraw/zinc/91/63/33/539916333.db2.gz UGFUXKGUZIVLKL-GJZGRUSLSA-N 0 3 309.454 2.466 20 30 DEEDHN COCCN1CCC(NC(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000329370930 539919216 /nfs/dbraw/zinc/91/92/16/539919216.db2.gz JXMAAVOHYVJZBZ-OAHLLOKOSA-N 0 3 303.406 2.179 20 30 DEEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)ccc1F ZINC000331972754 234339679 /nfs/dbraw/zinc/33/96/79/234339679.db2.gz RUTBIGVGEMTRPL-USXIJHARSA-N 0 3 304.365 2.059 20 30 DEEDHN N#Cc1ccc(CNC[C@H](c2cccs2)N2CCOCC2)o1 ZINC000174240205 198309320 /nfs/dbraw/zinc/30/93/20/198309320.db2.gz PGELAEZOTVTDEB-OAHLLOKOSA-N 0 3 317.414 2.376 20 30 DEEDHN CCC(CC)[C@@H](CNCc1ccc(C#N)o1)N1CCOCC1 ZINC000174261767 198311632 /nfs/dbraw/zinc/31/16/32/198311632.db2.gz DKBXHUHNLGCQDV-QGZVFWFLSA-N 0 3 305.422 2.378 20 30 DEEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)N(C)C)c1C#N ZINC000025149102 354070646 /nfs/dbraw/zinc/07/06/46/354070646.db2.gz MYBAGEYVGKGCIU-JTQLQIEISA-N 0 3 318.446 2.232 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc(NC(N)=O)cc2)nc(C)n1 ZINC000041561312 354175164 /nfs/dbraw/zinc/17/51/64/354175164.db2.gz NGXAHCWVWQDMLC-ZDUSSCGKSA-N 0 3 309.329 2.074 20 30 DEEDHN CCN1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000043292218 354217707 /nfs/dbraw/zinc/21/77/07/354217707.db2.gz XLIWEUDKYTVIIW-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@H]1CCOC1 ZINC000052072113 354393627 /nfs/dbraw/zinc/39/36/27/354393627.db2.gz GTBGFNAJTJHHKW-OAHLLOKOSA-N 0 3 307.438 2.030 20 30 DEEDHN CN(CCNC(=O)COc1ccccc1C#N)Cc1ccccc1 ZINC000053348867 354429974 /nfs/dbraw/zinc/42/99/74/354429974.db2.gz WVAQTHQIUREJHA-UHFFFAOYSA-N 0 3 323.396 2.185 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccccc2COCC)CC1 ZINC000057169042 354559801 /nfs/dbraw/zinc/55/98/01/354559801.db2.gz BFGLBEJDIYDSMN-UHFFFAOYSA-N 0 3 314.429 2.185 20 30 DEEDHN C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)N(C)C1CC1 ZINC000057708417 354577437 /nfs/dbraw/zinc/57/74/37/354577437.db2.gz AUFFVQUPMQTXIG-CYBMUJFWSA-N 0 3 317.458 2.390 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(F)c(F)c2)s1 ZINC000176964802 198643434 /nfs/dbraw/zinc/64/34/34/198643434.db2.gz MHPFCWIYRVGQDW-SNVBAGLBSA-N 0 3 324.352 2.427 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000066919077 354739595 /nfs/dbraw/zinc/73/95/95/354739595.db2.gz WCLLHXFXBAQUKN-HNNXBMFYSA-N 0 3 320.433 2.224 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(CC)CC1 ZINC000068566330 354821562 /nfs/dbraw/zinc/82/15/62/354821562.db2.gz AICRNMASXVMMDD-UHFFFAOYSA-N 0 3 317.408 2.455 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@H](C)S1 ZINC000070383276 354883983 /nfs/dbraw/zinc/88/39/83/354883983.db2.gz SOHBYQVECDATJT-GUTXKFCHSA-N 0 3 306.431 2.124 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cnn(CC)c2)CC1 ZINC000073215915 354948781 /nfs/dbraw/zinc/94/87/81/354948781.db2.gz CYPRHBHUNHPVTR-UHFFFAOYSA-N 0 3 319.453 2.085 20 30 DEEDHN CC(C)[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000076065138 355122583 /nfs/dbraw/zinc/12/25/83/355122583.db2.gz SLFFZAFDZTYEPX-DOTOQJQBSA-N 0 3 320.458 2.371 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC000080588286 355372917 /nfs/dbraw/zinc/37/29/17/355372917.db2.gz QAWKSMCINIBJJG-XYPHTWIQSA-N 0 3 312.417 2.497 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000081128460 355409081 /nfs/dbraw/zinc/40/90/81/355409081.db2.gz VQGZKEQXUIEUDY-KRWDZBQOSA-N 0 3 320.396 2.300 20 30 DEEDHN CN(C)CCN(CCCc1ccccc1)c1ccc(C#N)nn1 ZINC000160410178 355964122 /nfs/dbraw/zinc/96/41/22/355964122.db2.gz DHOFQTJGCDURQK-UHFFFAOYSA-N 0 3 309.417 2.349 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595608980 358500091 /nfs/dbraw/zinc/50/00/91/358500091.db2.gz DJQAGYQFIZJGRV-IAGOWNOFSA-N 0 3 313.401 2.118 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000182861977 356149187 /nfs/dbraw/zinc/14/91/87/356149187.db2.gz QPKFEIWWQBUCGV-OAHLLOKOSA-N 0 3 300.406 2.064 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(OC)cc1)C1CC1 ZINC000194014910 356233037 /nfs/dbraw/zinc/23/30/37/356233037.db2.gz OEIRIQQKOCSRJG-SFHVURJKSA-N 0 3 315.417 2.498 20 30 DEEDHN C[C@@H]1CC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000230421744 356283813 /nfs/dbraw/zinc/28/38/13/356283813.db2.gz SVQGJJMRTXBABC-HIFRSBDPSA-N 0 3 306.431 2.358 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618351935 363468907 /nfs/dbraw/zinc/46/89/07/363468907.db2.gz CRUGQAASCCKVIH-MJGOQNOKSA-N 0 3 316.445 2.089 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000351178842 356626675 /nfs/dbraw/zinc/62/66/75/356626675.db2.gz SWFRBILCZMZREC-SJCJKPOMSA-N 0 3 312.373 2.478 20 30 DEEDHN N#Cc1cc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ncn1 ZINC000384044307 356681138 /nfs/dbraw/zinc/68/11/38/356681138.db2.gz VQKVGNGDBNYDID-SJORKVTESA-N 0 3 319.412 2.307 20 30 DEEDHN N#Cc1ccnc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000268879948 283222276 /nfs/dbraw/zinc/22/22/76/283222276.db2.gz WDTBOBQIESLBFO-UHFFFAOYSA-N 0 3 315.377 2.316 20 30 DEEDHN CC[C@@H](COC)NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000578766603 356869851 /nfs/dbraw/zinc/86/98/51/356869851.db2.gz BMAKAAWUIAXBQS-INIZCTEOSA-N 0 3 313.405 2.373 20 30 DEEDHN CC#CC[C@H](N)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC001574962446 1069309176 /nfs/dbraw/zinc/30/91/76/1069309176.db2.gz LRHZHAOMKSSWHL-IBGZPJMESA-N 0 3 321.424 2.394 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276862618 213139684 /nfs/dbraw/zinc/13/96/84/213139684.db2.gz XJMPRAJLSQZNGZ-MRXNPFEDSA-N 0 3 300.402 2.448 20 30 DEEDHN CSc1ccc(OC[C@@H](O)CNCC2(CC#N)CC2)cc1 ZINC000581484491 357195447 /nfs/dbraw/zinc/19/54/47/357195447.db2.gz MVQBQUYUPYUOJW-ZDUSSCGKSA-N 0 3 306.431 2.432 20 30 DEEDHN N#Cc1ncn(CCNCc2ccc(F)cc2C(F)(F)F)n1 ZINC000285521306 283257370 /nfs/dbraw/zinc/25/73/70/283257370.db2.gz OIEZDSBWUOANLA-UHFFFAOYSA-N 0 3 313.258 2.097 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@H]3CC[C@](O)(C(F)(F)F)C3)n2c1 ZINC000589938955 357506779 /nfs/dbraw/zinc/50/67/79/357506779.db2.gz GSFGSVUGAZTKHR-SMDDNHRTSA-N 0 3 324.306 2.141 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(C#N)n1 ZINC000589332932 357464758 /nfs/dbraw/zinc/46/47/58/357464758.db2.gz NQVLRSNCQNHMAB-MCIONIFRSA-N 0 3 300.406 2.049 20 30 DEEDHN CSC1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCN(C)CC1 ZINC000589628984 357485168 /nfs/dbraw/zinc/48/51/68/357485168.db2.gz IQWFZIGKHUCZFC-OAHLLOKOSA-N 0 3 324.494 2.149 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000590829701 357623159 /nfs/dbraw/zinc/62/31/59/357623159.db2.gz DQGUDFLTWLQVEQ-HOCLYGCPSA-N 0 3 310.417 2.144 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765050 357606207 /nfs/dbraw/zinc/60/62/07/357606207.db2.gz HNLCMCKOQLHULG-WBOSRHFRSA-N 0 3 303.450 2.409 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000590767630 357606543 /nfs/dbraw/zinc/60/65/43/357606543.db2.gz KDAAXGFMENHXNY-LBPRGKRZSA-N 0 3 300.406 2.141 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCc2ccc(O)cc2CC1 ZINC000590785330 357611421 /nfs/dbraw/zinc/61/14/21/357611421.db2.gz QWBAFDBGBZEEQE-HNNXBMFYSA-N 0 3 314.429 2.382 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000590941228 357648461 /nfs/dbraw/zinc/64/84/61/357648461.db2.gz SMWFGOKAHMWECY-UHFFFAOYSA-N 0 3 308.813 2.351 20 30 DEEDHN C=CC(C)(C)CNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000590944677 357649171 /nfs/dbraw/zinc/64/91/71/357649171.db2.gz GNPFLOFDTUCNFL-INIZCTEOSA-N 0 3 322.497 2.009 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000591471288 357728298 /nfs/dbraw/zinc/72/82/98/357728298.db2.gz DZTDTMSJAXLCKE-AWEZNQCLSA-N 0 3 320.824 2.447 20 30 DEEDHN CO[C@@H](CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000591373540 357716078 /nfs/dbraw/zinc/71/60/78/357716078.db2.gz VSSYMLMUBZHZGB-IRXDYDNUSA-N 0 3 313.401 2.068 20 30 DEEDHN CO[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000591629735 357746328 /nfs/dbraw/zinc/74/63/28/357746328.db2.gz MLCVIJDZFHRPGV-UONOGXRCSA-N 0 3 309.797 2.165 20 30 DEEDHN CC(C)n1cncc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591633430 357746572 /nfs/dbraw/zinc/74/65/72/357746572.db2.gz SJSPCAKLJOYNQN-UHFFFAOYSA-N 0 3 324.432 2.489 20 30 DEEDHN N#CCCCNC[C@@H](O)COc1cccc(Br)c1 ZINC000591759448 357757847 /nfs/dbraw/zinc/75/78/47/357757847.db2.gz OEOAXTMPSGIIMR-GFCCVEGCSA-N 0 3 313.195 2.082 20 30 DEEDHN COc1cc2nccc(N3CC[C@](O)(CC#N)C3)c2cc1OC ZINC000591972339 357808089 /nfs/dbraw/zinc/80/80/89/357808089.db2.gz ARCRICDAZSRQNX-QGZVFWFLSA-N 0 3 313.357 2.107 20 30 DEEDHN CCC1(CC)[C@@H](NCc2cnc3c(C#N)cnn3c2)C[C@@H]1OC ZINC000592503894 357888861 /nfs/dbraw/zinc/88/88/61/357888861.db2.gz IZEMURPAKBTMRG-GJZGRUSLSA-N 0 3 313.405 2.284 20 30 DEEDHN CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000592832767 357954376 /nfs/dbraw/zinc/95/43/76/357954376.db2.gz VRSCASAFPVWLDS-GDBMZVCRSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@H](CO)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000593084696 358004834 /nfs/dbraw/zinc/00/48/34/358004834.db2.gz QMGXGGLTODZLRP-GFCCVEGCSA-N 0 3 321.446 2.289 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCN1CCCCC1 ZINC000593111005 358013412 /nfs/dbraw/zinc/01/34/12/358013412.db2.gz AWAPMPOHENSWIY-OAHLLOKOSA-N 0 3 314.433 2.303 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCC(F)(F)C2)cc1 ZINC000593235987 358039027 /nfs/dbraw/zinc/03/90/27/358039027.db2.gz QTQPQHUZRUJBJC-AWEZNQCLSA-N 0 3 303.312 2.498 20 30 DEEDHN CC(C)N1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179915013 199094375 /nfs/dbraw/zinc/09/43/75/199094375.db2.gz HMDJCZXVPBEMHY-UHFFFAOYSA-N 0 3 323.444 2.485 20 30 DEEDHN C[C@H](CCO)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000593694664 358125858 /nfs/dbraw/zinc/12/58/58/358125858.db2.gz PLDHZHYUDNCHKH-CQSZACIVSA-N 0 3 313.405 2.061 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594196138 358220949 /nfs/dbraw/zinc/22/09/49/358220949.db2.gz LAPUXDZMEVHMMP-CVEARBPZSA-N 0 3 301.365 2.444 20 30 DEEDHN CCC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000594590468 358298454 /nfs/dbraw/zinc/29/84/54/358298454.db2.gz BPBJWZZCGRNUEJ-UHFFFAOYSA-N 0 3 317.393 2.359 20 30 DEEDHN COC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c(C#N)n1 ZINC000594601329 358302448 /nfs/dbraw/zinc/30/24/48/358302448.db2.gz OLMMTOLZKWCGON-BBRMVZONSA-N 0 3 314.389 2.169 20 30 DEEDHN N#Cc1ccc(CNC2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000594495735 358283487 /nfs/dbraw/zinc/28/34/87/358283487.db2.gz UVJGOAAMTSVWPA-MRXNPFEDSA-N 0 3 303.381 2.040 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)Nc2ccnn2CCN(C)C)C1 ZINC000667152328 540403759 /nfs/dbraw/zinc/40/37/59/540403759.db2.gz KJNYZZPTHAEQSD-AWEZNQCLSA-N 0 3 305.426 2.265 20 30 DEEDHN CC(C)(C)N1C[C@H](CNCc2ccc(C#N)cc2F)CC1=O ZINC000594995058 358375157 /nfs/dbraw/zinc/37/51/57/358375157.db2.gz YTHBQMUCBMMDDM-ZDUSSCGKSA-N 0 3 303.381 2.434 20 30 DEEDHN CN(CCC(=O)Nc1sccc1C#N)CC1=CCCOC1 ZINC000595754111 358541692 /nfs/dbraw/zinc/54/16/92/358541692.db2.gz USHLSWOJOHYRIW-UHFFFAOYSA-N 0 3 305.403 2.227 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2c(C#N)cnn2C)C1 ZINC000596257422 358653904 /nfs/dbraw/zinc/65/39/04/358653904.db2.gz ODQFQIXAQRBLJQ-OAHLLOKOSA-N 0 3 309.417 2.250 20 30 DEEDHN C=CCCSCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000596715309 358745018 /nfs/dbraw/zinc/74/50/18/358745018.db2.gz CLBIRTFWRDIHAK-MRXNPFEDSA-N 0 3 311.495 2.423 20 30 DEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCCCC#N)C1 ZINC000596556229 358712113 /nfs/dbraw/zinc/71/21/13/358712113.db2.gz WOJGLZAVVLCNQA-KRWDZBQOSA-N 0 3 314.433 2.249 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000596671085 358736787 /nfs/dbraw/zinc/73/67/87/358736787.db2.gz YJWYCFIQTBILFU-QGZVFWFLSA-N 0 3 314.433 2.225 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)NCC3(C#N)CCCCC3)[C@H]2C1 ZINC000596868336 358778658 /nfs/dbraw/zinc/77/86/58/358778658.db2.gz KFEVJBHFUFQCIC-GJZGRUSLSA-N 0 3 304.438 2.196 20 30 DEEDHN N#Cc1cc(F)c(C(=O)NCC23CCCN2CCC3)c(F)c1 ZINC000597586986 358955626 /nfs/dbraw/zinc/95/56/26/358955626.db2.gz LWKCAWBIPYJOFO-UHFFFAOYSA-N 0 3 305.328 2.195 20 30 DEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000597860245 359025638 /nfs/dbraw/zinc/02/56/38/359025638.db2.gz MNPOJBZRKSOGPQ-CYBMUJFWSA-N 0 3 303.381 2.229 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000598151001 359108166 /nfs/dbraw/zinc/10/81/66/359108166.db2.gz MEZKFGNPNQUYHS-LLVKDONJSA-N 0 3 322.206 2.257 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C[C@@H](O)CC(C)(C)C#N ZINC000598594780 359255086 /nfs/dbraw/zinc/25/50/86/359255086.db2.gz JSCZVSBCYXONJU-PMPSAXMXSA-N 0 3 309.454 2.008 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000598598719 359256024 /nfs/dbraw/zinc/25/60/24/359256024.db2.gz SZRQHPWGIXEFMM-ZFWWWQNUSA-N 0 3 317.437 2.093 20 30 DEEDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC(C)(C)C#N ZINC000598614598 359262122 /nfs/dbraw/zinc/26/21/22/359262122.db2.gz LWJVQDDCESTCLO-HNNXBMFYSA-N 0 3 305.378 2.370 20 30 DEEDHN CCOc1cccc(CN(CCO)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598619911 359263203 /nfs/dbraw/zinc/26/32/03/359263203.db2.gz ISPIBMLFYXTYFR-MRXNPFEDSA-N 0 3 320.433 2.180 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(F)c1 ZINC000599002422 359380679 /nfs/dbraw/zinc/38/06/79/359380679.db2.gz YVINGGFXVFDNSK-WBVHZDCISA-N 0 3 313.332 2.418 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CCC(C)C)NC(C)=O)CC1 ZINC000668370349 540655568 /nfs/dbraw/zinc/65/55/68/540655568.db2.gz VLGSGWOZUMARDJ-QGZVFWFLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(C3CC3)no2)CC1 ZINC000668370276 540655983 /nfs/dbraw/zinc/65/59/83/540655983.db2.gz SGYLDSFFFAIIBD-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN Cc1cc(C#N)ccc1CN(C)CCN1CCOC(C)(C)C1 ZINC000619052068 363687802 /nfs/dbraw/zinc/68/78/02/363687802.db2.gz QBBKUYRJDBFGPJ-UHFFFAOYSA-N 0 3 301.434 2.409 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668541113 540682237 /nfs/dbraw/zinc/68/22/37/540682237.db2.gz DFSNTXLIWPWLAV-NVXWUHKLSA-N 0 3 300.402 2.352 20 30 DEEDHN C[C@H](NS(=O)(=O)CCCN1CCCC1)c1cccc(C#N)c1 ZINC000601359617 360017783 /nfs/dbraw/zinc/01/77/83/360017783.db2.gz JOMCJSKYIHGZFT-AWEZNQCLSA-N 0 3 321.446 2.025 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](C)C#N)C2)cc1 ZINC000602289051 360331949 /nfs/dbraw/zinc/33/19/49/360331949.db2.gz ZPWPUTWRNUJPPA-GDBMZVCRSA-N 0 3 300.406 2.028 20 30 DEEDHN CC[C@@H](C)[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)OC ZINC000602442727 360375338 /nfs/dbraw/zinc/37/53/38/360375338.db2.gz WQDIHWWRLOZYND-ZBFHGGJFSA-N 0 3 302.422 2.136 20 30 DEEDHN CC[C@@]1(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 ZINC000619170632 363724575 /nfs/dbraw/zinc/72/45/75/363724575.db2.gz PEIDNGIXLJYJKX-SJLPKXTDSA-N 0 3 313.401 2.212 20 30 DEEDHN COc1cc(NCCNCc2cccc(C#N)n2)cc(OC)c1 ZINC000602581272 360443150 /nfs/dbraw/zinc/44/31/50/360443150.db2.gz JEGZHCQGKKXSFW-UHFFFAOYSA-N 0 3 312.373 2.172 20 30 DEEDHN N#Cc1cccc(CNC[C@H](CO)c2ccc(Cl)cc2)n1 ZINC000602663047 360481968 /nfs/dbraw/zinc/48/19/68/360481968.db2.gz SCQVIVHXSCZDMF-CYBMUJFWSA-N 0 3 301.777 2.472 20 30 DEEDHN CC[C@H](C)[C@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602671370 360488435 /nfs/dbraw/zinc/48/84/35/360488435.db2.gz JLKMMHHPMBFEIQ-IMJJTQAJSA-N 0 3 303.406 2.467 20 30 DEEDHN C[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000602628436 360466183 /nfs/dbraw/zinc/46/61/83/360466183.db2.gz ASNKWEWVIWHHAZ-WQVCFCJDSA-N 0 3 315.442 2.143 20 30 DEEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1OCCO ZINC000602796489 360559340 /nfs/dbraw/zinc/55/93/40/360559340.db2.gz AVVLPDVVOQKTNN-CYBMUJFWSA-N 0 3 304.390 2.411 20 30 DEEDHN C[C@@H]1OCC[C@@H]1CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000602802788 360561582 /nfs/dbraw/zinc/56/15/82/360561582.db2.gz UYCBQVLBPMRIHV-LESCRADOSA-N 0 3 317.408 2.433 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602893836 360614147 /nfs/dbraw/zinc/61/41/47/360614147.db2.gz WIMSRBOPULFAFQ-IAGOWNOFSA-N 0 3 318.392 2.497 20 30 DEEDHN CC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000281253784 216187494 /nfs/dbraw/zinc/18/74/94/216187494.db2.gz DWFATUXIIOPOBQ-MRXNPFEDSA-N 0 3 301.390 2.388 20 30 DEEDHN N#C[C@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000442797370 238078142 /nfs/dbraw/zinc/07/81/42/238078142.db2.gz WSYPSVPDFACSOQ-ZFWWWQNUSA-N 0 3 313.401 2.279 20 30 DEEDHN N#Cc1cccc(CC(=O)N2CCCN(c3ccncc3)CC2)c1 ZINC000603084531 360693859 /nfs/dbraw/zinc/69/38/59/360693859.db2.gz RYHLVIZIQDLUKD-UHFFFAOYSA-N 0 3 320.396 2.235 20 30 DEEDHN Cc1cc(C[NH2+]CCCNC(=O)c2cccc([O-])c2)ccc1C#N ZINC000443971367 238132828 /nfs/dbraw/zinc/13/28/28/238132828.db2.gz VORIMDTUELLEBJ-UHFFFAOYSA-N 0 3 323.396 2.482 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000603128745 360712796 /nfs/dbraw/zinc/71/27/96/360712796.db2.gz ZLIJNRRYTOQFDI-AWEZNQCLSA-N 0 3 301.394 2.195 20 30 DEEDHN CC(C)(C)[C@H](N)c1cn(Cc2cn3ccccc3c2C#N)nn1 ZINC000603197158 360742428 /nfs/dbraw/zinc/74/24/28/360742428.db2.gz ZTUVZOGEDKMDEP-MRXNPFEDSA-N 0 3 308.389 2.497 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2ccc(C#N)cc2COC)CC1 ZINC000603283647 360777144 /nfs/dbraw/zinc/77/71/44/360777144.db2.gz LGPFDWIRYRTHRA-HNNXBMFYSA-N 0 3 316.449 2.143 20 30 DEEDHN N#Cc1cnn(-c2ccccc2)c1N1CC[C@@H](N2CCCC2)C1 ZINC000603286376 360778381 /nfs/dbraw/zinc/77/83/81/360778381.db2.gz GESNXROGSRSMIS-QGZVFWFLSA-N 0 3 307.401 2.418 20 30 DEEDHN CCN1CCC(NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609160941 361287055 /nfs/dbraw/zinc/28/70/55/361287055.db2.gz RNQNFQQMMBHRKQ-UHFFFAOYSA-N 0 3 310.401 2.379 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CNc2ccnn2C1 ZINC000619264055 363751545 /nfs/dbraw/zinc/75/15/45/363751545.db2.gz AIWLVYDUPYBFQM-KRWDZBQOSA-N 0 3 307.401 2.485 20 30 DEEDHN CCO[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619281251 363755082 /nfs/dbraw/zinc/75/50/82/363755082.db2.gz LIPAXOIAZZVORZ-SJORKVTESA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@@H](NC(=O)NCCN1CCCCC1)c1cccc(C#N)c1 ZINC000610335261 361385639 /nfs/dbraw/zinc/38/56/39/361385639.db2.gz HQTVDIWHXBXQJE-CQSZACIVSA-N 0 3 300.406 2.404 20 30 DEEDHN CC(C)(C)N1CCC(NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000193919095 201145367 /nfs/dbraw/zinc/14/53/67/201145367.db2.gz ZWOOHPMIXDVLKU-UHFFFAOYSA-N 0 3 321.446 2.099 20 30 DEEDHN C=CCOCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000673011018 541081934 /nfs/dbraw/zinc/08/19/34/541081934.db2.gz RQFQLZODMQWDKJ-ZBFHGGJFSA-N 0 3 305.422 2.180 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)[C@H]1C ZINC001088853160 781946021 /nfs/dbraw/zinc/94/60/21/781946021.db2.gz PKHUAFYZNLZDJY-QAPCUYQASA-N 0 3 311.429 2.441 20 30 DEEDHN CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000610947070 361495904 /nfs/dbraw/zinc/49/59/04/361495904.db2.gz FKYDZRLILMXLOG-WMLDXEAASA-N 0 3 303.381 2.434 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000611205264 361548888 /nfs/dbraw/zinc/54/88/88/361548888.db2.gz RGELPCBZAXIALT-RDJZCZTQSA-N 0 3 313.401 2.022 20 30 DEEDHN N#Cc1cccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c1F ZINC000611371156 361586713 /nfs/dbraw/zinc/58/67/13/361586713.db2.gz MAJWZQWVRLYUBX-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611577994 361639871 /nfs/dbraw/zinc/63/98/71/361639871.db2.gz MHEQONMVAHVHBT-CMPLNLGQSA-N 0 3 300.280 2.098 20 30 DEEDHN COc1cc(C#N)ccc1OC(=O)C1CCN(C2CC2)CC1 ZINC000195297310 201375507 /nfs/dbraw/zinc/37/55/07/201375507.db2.gz HPJLOUOKMNPNRH-UHFFFAOYSA-N 0 3 300.358 2.347 20 30 DEEDHN C=C[C@H](C(=O)OC)N1CCCN(Cc2ccccc2C)CC1 ZINC000619715945 363862969 /nfs/dbraw/zinc/86/29/69/363862969.db2.gz CHPPTWATJQQAFC-QGZVFWFLSA-N 0 3 302.418 2.230 20 30 DEEDHN C=C[C@@H](C(=O)OC)N1CCCN(Cc2ccccc2C)CC1 ZINC000619715944 363863439 /nfs/dbraw/zinc/86/34/39/363863439.db2.gz CHPPTWATJQQAFC-KRWDZBQOSA-N 0 3 302.418 2.230 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CCC)C2)cc1OC ZINC000619895172 363891919 /nfs/dbraw/zinc/89/19/19/363891919.db2.gz IPIOVGDTZJMNHG-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3n2CCCCC3)CC1 ZINC000621858730 364563046 /nfs/dbraw/zinc/56/30/46/364563046.db2.gz ALXUBVGEXVLHTI-UHFFFAOYSA-N 0 3 316.449 2.380 20 30 DEEDHN Cn1cncc1[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000275443128 212335344 /nfs/dbraw/zinc/33/53/44/212335344.db2.gz GANVUDUSKPHLOT-PBHICJAKSA-N 0 3 314.364 2.441 20 30 DEEDHN C=CCc1cc(CNCCN(C)CC(F)F)cc(OC)c1O ZINC000623831378 365189668 /nfs/dbraw/zinc/18/96/68/365189668.db2.gz DYAHKIBYZKLIKX-UHFFFAOYSA-N 0 3 314.376 2.416 20 30 DEEDHN C=CCc1cc(CN(C)C[C@H](C)C(=O)OC)cc(OC)c1O ZINC000091985761 193136496 /nfs/dbraw/zinc/13/64/96/193136496.db2.gz IXIGHAGTEGNLAF-LBPRGKRZSA-N 0 3 307.390 2.370 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450635501 242044161 /nfs/dbraw/zinc/04/41/61/242044161.db2.gz KGBVLUVEKXBHPY-ACJLOTCBSA-N 0 3 322.412 2.445 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCCN(C[C@H]2CCCO2)CC1)OCC ZINC000677301614 541571583 /nfs/dbraw/zinc/57/15/83/541571583.db2.gz UGNHGDNPYPPBCF-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CS[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1N(C)C ZINC000271769991 209197916 /nfs/dbraw/zinc/19/79/16/209197916.db2.gz INPNBRMXTPWKHI-FHQWLQQXSA-N 0 3 315.442 2.075 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000451597135 243179013 /nfs/dbraw/zinc/17/90/13/243179013.db2.gz HGLVNBWHCXTVOB-GLQYFDAESA-N 0 3 308.809 2.278 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000678049041 541668759 /nfs/dbraw/zinc/66/87/59/541668759.db2.gz BGYXDWZHYGTLES-RDJZCZTQSA-N 0 3 302.418 2.065 20 30 DEEDHN N#Cc1ccccc1OCCN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451715577 243347742 /nfs/dbraw/zinc/34/77/42/243347742.db2.gz UHHAOLWVVRNHBS-PVAVHDDUSA-N 0 3 300.402 2.420 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(C#N)c(OC)c1)CC2 ZINC000282260457 216865208 /nfs/dbraw/zinc/86/52/08/216865208.db2.gz JXPUQZMJQODGFS-OAHLLOKOSA-N 0 3 314.385 2.342 20 30 DEEDHN C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)N(C)C ZINC000264739838 204118106 /nfs/dbraw/zinc/11/81/06/204118106.db2.gz KJJWELLCERPFGG-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C#CCCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000265036255 204358272 /nfs/dbraw/zinc/35/82/72/204358272.db2.gz HAWIDDWPVAMMRZ-UHFFFAOYSA-N 0 3 305.447 2.283 20 30 DEEDHN C=CC[C@H](CO)NCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000680495974 542013043 /nfs/dbraw/zinc/01/30/43/542013043.db2.gz RFOASXZBPUWSFL-CQSZACIVSA-N 0 3 323.868 2.118 20 30 DEEDHN N#CCc1cccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000456753165 247396777 /nfs/dbraw/zinc/39/67/77/247396777.db2.gz PMUWQQFHDVBHKF-QGZVFWFLSA-N 0 3 313.401 2.335 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000680991711 542078768 /nfs/dbraw/zinc/07/87/68/542078768.db2.gz OYMKIKBSPHNCMI-DOTOQJQBSA-N 0 3 304.434 2.165 20 30 DEEDHN COCCN(CCC1OCCCO1)Cc1ccc(C#N)cc1 ZINC000267913762 206335068 /nfs/dbraw/zinc/33/50/68/206335068.db2.gz GVODBJJLWIQETE-UHFFFAOYSA-N 0 3 304.390 2.160 20 30 DEEDHN CCOC(=O)[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000043117182 183339337 /nfs/dbraw/zinc/33/93/37/183339337.db2.gz BHUZMSXOARRAQE-HNNXBMFYSA-N 0 3 302.374 2.212 20 30 DEEDHN C[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000105153985 194078803 /nfs/dbraw/zinc/07/88/03/194078803.db2.gz MSEZNHWVJNEEOI-XJKSGUPXSA-N 0 3 300.406 2.355 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(OC)cc2)CC1 ZINC000492854698 533045468 /nfs/dbraw/zinc/04/54/68/533045468.db2.gz FFWABQSRHKKWNQ-JXMROGBWSA-N 0 3 312.413 2.312 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccnc(Cl)c2)CC1 ZINC000492313668 533047138 /nfs/dbraw/zinc/04/71/38/533047138.db2.gz RCCFZVWPGSSMIF-SNAWJCMRSA-N 0 3 317.820 2.352 20 30 DEEDHN C=C[C@@H](C)NC[C@@H](O)COc1cccc(Br)c1 ZINC000158227486 197255413 /nfs/dbraw/zinc/25/54/13/197255413.db2.gz KSNLRFYBDZMHMU-ZYHUDNBSSA-N 0 3 300.196 2.353 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000428057761 533117142 /nfs/dbraw/zinc/11/71/42/533117142.db2.gz DKPVCZRBISDMJM-JQWIXIFHSA-N 0 3 322.206 2.304 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H](CO)C1CCCCC1 ZINC000541981511 285203934 /nfs/dbraw/zinc/20/39/34/285203934.db2.gz BXIBALPYYCQRPY-ZDUSSCGKSA-N 0 3 307.419 2.089 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)CC1 ZINC000491682687 533148547 /nfs/dbraw/zinc/14/85/47/533148547.db2.gz UGAZSFCWTAOOEU-AAEUAGOBSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000491729399 533148933 /nfs/dbraw/zinc/14/89/33/533148933.db2.gz JQPAYUFJIXSLQL-WMZOPIPTSA-N 0 3 300.377 2.085 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000154871356 197000918 /nfs/dbraw/zinc/00/09/18/197000918.db2.gz IGPBBKVBXOSDNN-XHSDSOJGSA-N 0 3 321.465 2.140 20 30 DEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000560271353 291925897 /nfs/dbraw/zinc/92/58/97/291925897.db2.gz XFSLKKBHIHFBQC-UDTVLSCZSA-N 0 3 301.365 2.405 20 30 DEEDHN C[C@H]1CCCCN1CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000120561027 195189701 /nfs/dbraw/zinc/18/97/01/195189701.db2.gz DYOZLWXNHORGHV-NSHDSACASA-N 0 3 307.344 2.441 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000120606967 195199631 /nfs/dbraw/zinc/19/96/31/195199631.db2.gz AWHJNXUEIGXCQU-QGZVFWFLSA-N 0 3 307.397 2.462 20 30 DEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(OC)c1OC ZINC000330896130 533222874 /nfs/dbraw/zinc/22/28/74/533222874.db2.gz GPQCHSYXCQTHCL-VXGBXAGGSA-N 0 3 322.405 2.500 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1OCC ZINC001368659331 1148556906 /nfs/dbraw/zinc/55/69/06/1148556906.db2.gz RTOPNQIULOHWEQ-ZIAGYGMSSA-N 0 3 314.857 2.382 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1c(F)cccc1C#N ZINC000356268659 133075435 /nfs/dbraw/zinc/07/54/35/133075435.db2.gz DUCBOZMUJZNCLA-UKRRQHHQSA-N 0 3 315.392 2.325 20 30 DEEDHN N#Cc1cccc(OCCN[C@H](CO)c2ccc(F)cc2)c1 ZINC000359606033 133134248 /nfs/dbraw/zinc/13/42/48/133134248.db2.gz ANQMNXMGQIXONL-QGZVFWFLSA-N 0 3 300.333 2.399 20 30 DEEDHN N#Cc1ccccc1OCCN[C@@H](CO)c1ccc(F)cc1 ZINC000359624142 133135477 /nfs/dbraw/zinc/13/54/77/133135477.db2.gz HTPBKNPPTVAEOD-INIZCTEOSA-N 0 3 300.333 2.399 20 30 DEEDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1O ZINC000360213440 133169517 /nfs/dbraw/zinc/16/95/17/133169517.db2.gz OYRYARPPDUHCOG-SUMWQHHRSA-N 0 3 310.401 2.161 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000372500705 133356275 /nfs/dbraw/zinc/35/62/75/133356275.db2.gz FSKQPVDWMNPJSO-CYBMUJFWSA-N 0 3 301.365 2.398 20 30 DEEDHN N#Cc1ccc2nc(N3CCN([C@H]4CCC[C@@H]4O)CC3)ccc2c1 ZINC000373166713 133380375 /nfs/dbraw/zinc/38/03/75/133380375.db2.gz TVWHXDOHOZWNJP-ROUUACIJSA-N 0 3 322.412 2.142 20 30 DEEDHN CC[C@]1(C(C)C)C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000563001235 292023480 /nfs/dbraw/zinc/02/34/80/292023480.db2.gz XUFNFBBXTCDVDS-GDBMZVCRSA-N 0 3 321.446 2.141 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(CCc3cncs3)C2)nc1 ZINC000563247672 292041797 /nfs/dbraw/zinc/04/17/97/292041797.db2.gz FNAKRQMCQYOMQP-ZDUSSCGKSA-N 0 3 300.387 2.106 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)n1cncn1 ZINC001099023855 781998076 /nfs/dbraw/zinc/99/80/76/781998076.db2.gz VIDSMMVVACJTQN-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCCC1 ZINC000563925909 292080055 /nfs/dbraw/zinc/08/00/55/292080055.db2.gz YQQOUUYMDVVJNK-CYBMUJFWSA-N 0 3 324.384 2.427 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000329878551 404479654 /nfs/dbraw/zinc/47/96/54/404479654.db2.gz KYMLHQCHOJMYJK-SYAUCNOPSA-N 0 3 320.437 2.183 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000549299695 285838909 /nfs/dbraw/zinc/83/89/09/285838909.db2.gz JMFZCSGCONMKMG-INIZCTEOSA-N 0 3 308.385 2.294 20 30 DEEDHN CCc1cc(N2CCC[C@@H](NCc3cc(C#N)n(C)c3)C2)ncn1 ZINC000191021570 145051979 /nfs/dbraw/zinc/05/19/79/145051979.db2.gz YWWYAWITMCRRFU-MRXNPFEDSA-N 0 3 324.432 2.008 20 30 DEEDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000262733144 145302055 /nfs/dbraw/zinc/30/20/55/145302055.db2.gz FHONSTHVXSXQEZ-JTQLQIEISA-N 0 3 315.826 2.007 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000305635553 145343750 /nfs/dbraw/zinc/34/37/50/145343750.db2.gz HMYPWZJUGGAYJK-VQTJNVASSA-N 0 3 321.424 2.283 20 30 DEEDHN C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1F ZINC000344352925 145848216 /nfs/dbraw/zinc/84/82/16/145848216.db2.gz BUPOKICAHCMWET-YUELXQCFSA-N 0 3 303.381 2.211 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCC[C@H]2OC(F)F)c1 ZINC000348520977 146280865 /nfs/dbraw/zinc/28/08/65/146280865.db2.gz MNRHDJIIAJOCGA-QWHCGFSZSA-N 0 3 309.316 2.247 20 30 DEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000565436396 292162129 /nfs/dbraw/zinc/16/21/29/292162129.db2.gz QRVSAAICDVQLBX-IAGOWNOFSA-N 0 3 304.365 2.107 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000359106952 147262863 /nfs/dbraw/zinc/26/28/63/147262863.db2.gz ORHMMGFKSQVAET-XJKSGUPXSA-N 0 3 308.385 2.452 20 30 DEEDHN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(C#N)cc2)cn1 ZINC000371334255 148090092 /nfs/dbraw/zinc/09/00/92/148090092.db2.gz DSBGDIMOWBEXCW-QZTJIDSGSA-N 0 3 310.401 2.380 20 30 DEEDHN CC(C)(CCNCCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000565829029 292184724 /nfs/dbraw/zinc/18/47/24/292184724.db2.gz RABFIGYQAPCHPD-UHFFFAOYSA-N 0 3 321.446 2.143 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC([C@@H](C)O)CC1 ZINC000111695799 401721712 /nfs/dbraw/zinc/72/17/12/401721712.db2.gz JEBLPQWQJJBHBM-QAPCUYQASA-N 0 3 319.445 2.248 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000112367992 401742431 /nfs/dbraw/zinc/74/24/31/401742431.db2.gz TUURAZWCONHJLY-CJNGLKHVSA-N 0 3 320.408 2.347 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000127637594 401743312 /nfs/dbraw/zinc/74/33/12/401743312.db2.gz RCEDJLDLRFVYIE-CYBMUJFWSA-N 0 3 324.222 2.470 20 30 DEEDHN NC(=NOCc1ccon1)c1ccccc1CN1CCCCC1 ZINC000077239221 401807312 /nfs/dbraw/zinc/80/73/12/401807312.db2.gz WSTBNEIGBBPKDB-UHFFFAOYSA-N 0 3 314.389 2.498 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2COc3ccccc32)CC1 ZINC000113174171 401769179 /nfs/dbraw/zinc/76/91/79/401769179.db2.gz AUIOLFPUGHMTBG-INIZCTEOSA-N 0 3 300.402 2.319 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@H](CC)Cc1ccc(C)cc1 ZINC000075885937 401772736 /nfs/dbraw/zinc/77/27/36/401772736.db2.gz KDYBTSDNYRILMC-MRXNPFEDSA-N 0 3 317.433 2.260 20 30 DEEDHN CC(C)c1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000113360721 401776903 /nfs/dbraw/zinc/77/69/03/401776903.db2.gz VXILCLUPIYVPOU-ISLYRVAYSA-N 0 3 313.401 2.426 20 30 DEEDHN CCN1CCCC[C@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130312504 401827258 /nfs/dbraw/zinc/82/72/58/401827258.db2.gz QFFGVLWBGOIPQI-KRWDZBQOSA-N 0 3 313.401 2.022 20 30 DEEDHN COc1ccc(CCN(CC(=O)NCC#N)CC(C)(C)C)cc1 ZINC000115550249 401831317 /nfs/dbraw/zinc/83/13/17/401831317.db2.gz NPLAVAFXENTQDQ-UHFFFAOYSA-N 0 3 317.433 2.226 20 30 DEEDHN CC#CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000135283026 401933588 /nfs/dbraw/zinc/93/35/88/401933588.db2.gz UMSNIHSKCRITRX-AWEZNQCLSA-N 0 3 305.447 2.283 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000135014225 401923567 /nfs/dbraw/zinc/92/35/67/401923567.db2.gz WDRPIKNFGUAAEX-MRXNPFEDSA-N 0 3 319.449 2.399 20 30 DEEDHN CCc1ccc([C@H](CNC(=O)CSCC#N)N(C)C)cc1 ZINC000046024420 401964092 /nfs/dbraw/zinc/96/40/92/401964092.db2.gz ZVPUFGNTWHYYSN-HNNXBMFYSA-N 0 3 305.447 2.225 20 30 DEEDHN N#CCSCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000046024552 401964487 /nfs/dbraw/zinc/96/44/87/401964487.db2.gz PDJIWUAVZMIIRK-HNNXBMFYSA-N 0 3 303.431 2.196 20 30 DEEDHN CN(CCC1CCOCC1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000120698115 401998941 /nfs/dbraw/zinc/99/89/41/401998941.db2.gz LEEFJZLQTXKYEO-UHFFFAOYSA-N 0 3 321.465 2.420 20 30 DEEDHN C#CCOc1ccc(C(=O)NC2CCN(CC(=C)C)CC2)cc1 ZINC000119277529 401938227 /nfs/dbraw/zinc/93/82/27/401938227.db2.gz GLIWYPMFKMMIIT-UHFFFAOYSA-N 0 3 312.413 2.469 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ccc(C#N)cc2)C1 ZINC000119431751 401949878 /nfs/dbraw/zinc/94/98/78/401949878.db2.gz PFXZXVLLWCMJOM-QZTJIDSGSA-N 0 3 311.429 2.434 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC[C@H](CC(N)=O)C2)c1 ZINC000093808712 402020450 /nfs/dbraw/zinc/02/04/50/402020450.db2.gz ZMBINQHWKMFMFH-MRXNPFEDSA-N 0 3 315.417 2.457 20 30 DEEDHN CCC(CC)(CNCC(=O)Nc1cccc(C#N)c1)C(=O)OC ZINC000120780796 402002233 /nfs/dbraw/zinc/00/22/33/402002233.db2.gz YWUGXLCAWCROTC-UHFFFAOYSA-N 0 3 317.389 2.066 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000150928586 402005552 /nfs/dbraw/zinc/00/55/52/402005552.db2.gz YTLDDSFJTPSGRF-NVXWUHKLSA-N 0 3 321.465 2.237 20 30 DEEDHN CN(CCN1CCOCC1)Cc1cccc(OCCCC#N)c1 ZINC000092974756 402010673 /nfs/dbraw/zinc/01/06/73/402010673.db2.gz MDVMCRCHQUOLOK-UHFFFAOYSA-N 0 3 317.433 2.133 20 30 DEEDHN CC(C)(C)N1CCCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000566197765 292216929 /nfs/dbraw/zinc/21/69/29/292216929.db2.gz AIHIUOIPCDWNIK-UHFFFAOYSA-N 0 3 301.394 2.291 20 30 DEEDHN CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1cccc(C#N)c1 ZINC000054174588 402063784 /nfs/dbraw/zinc/06/37/84/402063784.db2.gz DEOLCOSNKIJEKV-UHFFFAOYSA-N 0 3 318.380 2.469 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccnc2OC(C)C)CC1 ZINC000123719785 402142989 /nfs/dbraw/zinc/14/29/89/402142989.db2.gz DHFZMWSXCJZXAB-UHFFFAOYSA-N 0 3 301.390 2.153 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000124724317 402194223 /nfs/dbraw/zinc/19/42/23/402194223.db2.gz NBKAYRVXRGBXJL-ZFWWWQNUSA-N 0 3 303.406 2.436 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOc2ccc(C=O)cc2)CC1 ZINC000068430503 402197628 /nfs/dbraw/zinc/19/76/28/402197628.db2.gz NTFZGNAMXLRZNQ-UHFFFAOYSA-N 0 3 316.401 2.035 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2OC)CC1 ZINC000102410463 402166892 /nfs/dbraw/zinc/16/68/92/402166892.db2.gz QIZJQEHDZZXONK-OAHLLOKOSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(OC)no1)C(C)C ZINC000125241036 402220873 /nfs/dbraw/zinc/22/08/73/402220873.db2.gz SLZTUODKXQKXBD-ZDUSSCGKSA-N 0 3 307.394 2.112 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000108589077 402258149 /nfs/dbraw/zinc/25/81/49/402258149.db2.gz DUNNOBKPINZPEH-MRXNPFEDSA-N 0 3 300.406 2.041 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CN(C)Cc2ccccc2)CC1 ZINC000106034070 402211879 /nfs/dbraw/zinc/21/18/79/402211879.db2.gz USRJLXHPMWUJBG-UHFFFAOYSA-N 0 3 315.461 2.275 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)O)C1)C(C)C ZINC000184852423 402304547 /nfs/dbraw/zinc/30/45/47/402304547.db2.gz WSRNFCWEZSBGGX-BRWVUGGUSA-N 0 3 323.481 2.097 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccccc2F)s1 ZINC000176953585 402354179 /nfs/dbraw/zinc/35/41/79/402354179.db2.gz VMMAKJVABAIGMO-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)OCc2ccccc2)CC1 ZINC000185940892 402391493 /nfs/dbraw/zinc/39/14/93/402391493.db2.gz JLEXRLHHEXKROG-HNNXBMFYSA-N 0 3 302.418 2.358 20 30 DEEDHN CC[C@@H](C(=O)NCCSCc1ccccc1C#N)N(C)C ZINC000178246760 402475884 /nfs/dbraw/zinc/47/58/84/402475884.db2.gz FPYOFGBAIPROSW-HNNXBMFYSA-N 0 3 305.447 2.248 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(C#N)cc2)C1 ZINC000245880977 402494017 /nfs/dbraw/zinc/49/40/17/402494017.db2.gz BDEBEWXRESWHQF-DLBZAZTESA-N 0 3 312.417 2.184 20 30 DEEDHN COc1cccc([C@@H](CNCc2cc(C#N)n(C)c2)N(C)C)c1 ZINC000189573361 402546360 /nfs/dbraw/zinc/54/63/60/402546360.db2.gz FANONOJJIALHTR-GOSISDBHSA-N 0 3 312.417 2.298 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000178667049 402523952 /nfs/dbraw/zinc/52/39/52/402523952.db2.gz XFGHODCLSPPTEI-WMZOPIPTSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171680149 402608818 /nfs/dbraw/zinc/60/88/18/402608818.db2.gz SLOKYAWMRUBIRZ-UHFFFAOYSA-N 0 3 304.350 2.367 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)CC1 ZINC000171716891 402613922 /nfs/dbraw/zinc/61/39/22/402613922.db2.gz FTCKABRXNYFMGX-GFCCVEGCSA-N 0 3 324.371 2.499 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2c(C)cccc2C)CC1 ZINC000171726366 402614919 /nfs/dbraw/zinc/61/49/19/402614919.db2.gz UMFTYGODCICYDV-UHFFFAOYSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000171722868 402615044 /nfs/dbraw/zinc/61/50/44/402615044.db2.gz QYKCOQMTCTUKFW-HNNXBMFYSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000171737916 402616865 /nfs/dbraw/zinc/61/68/65/402616865.db2.gz BFHRASAAHRSFHN-UHFFFAOYSA-N 0 3 316.405 2.417 20 30 DEEDHN Cc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)s1 ZINC000180876466 402628923 /nfs/dbraw/zinc/62/89/23/402628923.db2.gz OMYOSWHWCZPRGV-ICFTUWFRSA-N 0 3 305.403 2.234 20 30 DEEDHN Cn1cc(CNC(C)(C)CNC(=O)OC(C)(C)C)cc1C#N ZINC000190947386 402632970 /nfs/dbraw/zinc/63/29/70/402632970.db2.gz ZMWMQPLJUQHGBV-UHFFFAOYSA-N 0 3 306.410 2.290 20 30 DEEDHN Cn1cc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000191179501 402648564 /nfs/dbraw/zinc/64/85/64/402648564.db2.gz CHTFSEKHKVJAKZ-HNNXBMFYSA-N 0 3 318.421 2.290 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000191641844 402683461 /nfs/dbraw/zinc/68/34/61/402683461.db2.gz STCPSHWOWDVNCT-SFHVURJKSA-N 0 3 321.465 2.202 20 30 DEEDHN CC(C)C[C@@]1(CO)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000191669854 402685514 /nfs/dbraw/zinc/68/55/14/402685514.db2.gz XYYFMTVYQXZJKD-GOSISDBHSA-N 0 3 315.417 2.370 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000182546576 402698409 /nfs/dbraw/zinc/69/84/09/402698409.db2.gz FHSDGWMJNQWBLY-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H](CCNS(=O)(=O)c1cccc(C#N)c1)N1CCCCC1 ZINC000183297635 402754121 /nfs/dbraw/zinc/75/41/21/402754121.db2.gz YGJOCUTYTDXJRQ-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000174777251 402756674 /nfs/dbraw/zinc/75/66/74/402756674.db2.gz QPEOAAPGUXNWCT-WMLDXEAASA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)c2nccs2)CC1 ZINC000183545289 402775072 /nfs/dbraw/zinc/77/50/72/402775072.db2.gz RSCIEMFFMMPXCB-LBPRGKRZSA-N 0 3 308.451 2.196 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CCOCC)C(C)C ZINC000271332817 402858726 /nfs/dbraw/zinc/85/87/26/402858726.db2.gz AVATWRGQICHNNP-MRXNPFEDSA-N 0 3 311.470 2.363 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2nc(C)cs2)CC1 ZINC000264298072 402864860 /nfs/dbraw/zinc/86/48/60/402864860.db2.gz RERBKULGQMIXDY-CQSZACIVSA-N 0 3 305.447 2.364 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000264309145 402865888 /nfs/dbraw/zinc/86/58/88/402865888.db2.gz GLGRZDXCBAMGIY-CJNGLKHVSA-N 0 3 300.406 2.403 20 30 DEEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 ZINC000278534087 402867638 /nfs/dbraw/zinc/86/76/38/402867638.db2.gz FNKBBCFRPZIKSR-WHOFXGATSA-N 0 3 307.419 2.067 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1CC)C(C)C ZINC000264435857 402878165 /nfs/dbraw/zinc/87/81/65/402878165.db2.gz RNCDHWUCSXXUQJ-INIZCTEOSA-N 0 3 304.438 2.401 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000264442496 402878775 /nfs/dbraw/zinc/87/87/75/402878775.db2.gz LNOMDDKBUZZHJR-UHFFFAOYSA-N 0 3 314.389 2.339 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@](C)(OC)c2ccccc2)CC1 ZINC000264484990 402883179 /nfs/dbraw/zinc/88/31/79/402883179.db2.gz XDGLYPNQFBVIQX-SFHVURJKSA-N 0 3 302.418 2.315 20 30 DEEDHN C=CCNC(=O)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000271937934 402885752 /nfs/dbraw/zinc/88/57/52/402885752.db2.gz ACMQRQLOHRRELG-HOTGVXAUSA-N 0 3 302.418 2.262 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000264517881 402886011 /nfs/dbraw/zinc/88/60/11/402886011.db2.gz VVKJDACIKLXIFQ-INIZCTEOSA-N 0 3 320.820 2.410 20 30 DEEDHN CCCCOC[C@@H](O)CN(CCOC)Cc1ccc(C#N)cc1 ZINC000280142511 402968668 /nfs/dbraw/zinc/96/86/68/402968668.db2.gz WTKIDHAXWQOYRH-SFHVURJKSA-N 0 3 320.433 2.184 20 30 DEEDHN CO[C@H](C)[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272505319 402945464 /nfs/dbraw/zinc/94/54/64/402945464.db2.gz FGZKMUKQGOZBGO-XJKCOSOUSA-N 0 3 301.390 2.067 20 30 DEEDHN CC1(C#N)CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000272577611 402955478 /nfs/dbraw/zinc/95/54/78/402955478.db2.gz NXSVWVQAGNTJNS-UHFFFAOYSA-N 0 3 304.369 2.362 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)Nc1cccc(OCC#N)c1 ZINC000272738245 402960097 /nfs/dbraw/zinc/96/00/97/402960097.db2.gz GGOBAPHMPFASES-UHFFFAOYSA-N 0 3 304.394 2.393 20 30 DEEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)c(=O)n1C ZINC000279617528 402960544 /nfs/dbraw/zinc/96/05/44/402960544.db2.gz XWVPWQMAKNZPSE-CQSZACIVSA-N 0 3 311.385 2.447 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(CCC3)C2)cc1 ZINC000279973907 402966123 /nfs/dbraw/zinc/96/61/23/402966123.db2.gz HSQNIFGGZYPVPW-INIZCTEOSA-N 0 3 309.369 2.022 20 30 DEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000280011001 402966496 /nfs/dbraw/zinc/96/64/96/402966496.db2.gz JUXDLUIZMAMELO-DYVFJYSZSA-N 0 3 311.385 2.172 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCC[C@@H](C)O)C(C)C ZINC000279156746 402910470 /nfs/dbraw/zinc/91/04/70/402910470.db2.gz DEROFPLZNUJJNL-HZPDHXFCSA-N 0 3 311.470 2.145 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000279351502 402933496 /nfs/dbraw/zinc/93/34/96/402933496.db2.gz FHWDSHPYGJIFGI-VQIMIIECSA-N 0 3 316.445 2.437 20 30 DEEDHN CN(CCOc1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000280480959 403003773 /nfs/dbraw/zinc/00/37/73/403003773.db2.gz LJIWMBOFOBEUCM-GOSISDBHSA-N 0 3 323.396 2.486 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCC#N ZINC000274163859 403031517 /nfs/dbraw/zinc/03/15/17/403031517.db2.gz IQDNBADUVLYVHC-GDBMZVCRSA-N 0 3 300.406 2.110 20 30 DEEDHN C#Cc1cccc(NC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267194841 403023867 /nfs/dbraw/zinc/02/38/67/403023867.db2.gz PKQRQJYFOMWWNW-MRXNPFEDSA-N 0 3 303.431 2.227 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@H](C)CN2CCCCC2)nc1 ZINC000267239784 403028316 /nfs/dbraw/zinc/02/83/16/403028316.db2.gz RNZCAEHPQYSLLE-CQSZACIVSA-N 0 3 302.422 2.284 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)oc2C)C[C@@H]1N1CCCC1 ZINC000280780364 403036081 /nfs/dbraw/zinc/03/60/81/403036081.db2.gz BCRZMEYIURZQHQ-GJZGRUSLSA-N 0 3 319.430 2.112 20 30 DEEDHN CC1CC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000268041402 403043560 /nfs/dbraw/zinc/04/35/60/403043560.db2.gz ODKTUBIXRMLCJH-UHFFFAOYSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000274421791 403054073 /nfs/dbraw/zinc/05/40/73/403054073.db2.gz DLJKMHCECLLQGB-MRXNPFEDSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCOCc2ccccc2)C1=O ZINC000281276154 403062165 /nfs/dbraw/zinc/06/21/65/403062165.db2.gz IJYQHLBTLZESGH-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnc(OC(C)C)c2)CC1 ZINC000268365223 403076991 /nfs/dbraw/zinc/07/69/91/403076991.db2.gz QNJANZLFPUGRCP-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CC[C@H](NC(C)(C)CN(C)Cc2ccccc2)C1=O ZINC000281912459 403103861 /nfs/dbraw/zinc/10/38/61/403103861.db2.gz GRDSTPMQQVJYSO-KRWDZBQOSA-N 0 3 315.461 2.274 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC1(CO)CC1)C(C)C ZINC000275614089 403109280 /nfs/dbraw/zinc/10/92/80/403109280.db2.gz ISWVQILPAPBAMU-INIZCTEOSA-N 0 3 323.481 2.099 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCCC23CCOCC3)c1 ZINC000282136855 403126330 /nfs/dbraw/zinc/12/63/30/403126330.db2.gz RQXHVVZOUOOVII-MRXNPFEDSA-N 0 3 313.401 2.436 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000269733151 403161951 /nfs/dbraw/zinc/16/19/51/403161951.db2.gz VFBHUUCVNULJSJ-XJKSGUPXSA-N 0 3 324.428 2.472 20 30 DEEDHN Cn1nccc1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000276341812 403165560 /nfs/dbraw/zinc/16/55/60/403165560.db2.gz UAPWKCOFPPSGOO-UHFFFAOYSA-N 0 3 309.417 2.047 20 30 DEEDHN CC(C)Oc1ccc(NC(=O)NC[C@H](C)N(C)C)cc1C#N ZINC000269359196 403133581 /nfs/dbraw/zinc/13/35/81/403133581.db2.gz BETXSZWJTGEGNS-LBPRGKRZSA-N 0 3 304.394 2.417 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269624084 403150690 /nfs/dbraw/zinc/15/06/90/403150690.db2.gz RSNMGIOTTZBFMX-UHFFFAOYSA-N 0 3 307.397 2.009 20 30 DEEDHN CS[C@@H]1CCCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000269626568 403151351 /nfs/dbraw/zinc/15/13/51/403151351.db2.gz GDSNJXHHHBLFFR-MRXNPFEDSA-N 0 3 317.458 2.392 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCCS(=O)(=O)CCc2ccccc2)C1 ZINC000282467512 403154935 /nfs/dbraw/zinc/15/49/35/403154935.db2.gz LKGDOQIOUZQTSW-SJORKVTESA-N 0 3 320.458 2.316 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(=O)[nH]1)C(C)C ZINC000282573984 403156658 /nfs/dbraw/zinc/15/66/58/403156658.db2.gz WMGXAFHKGXCEMG-HNNXBMFYSA-N 0 3 303.406 2.216 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)CCCO ZINC000270742270 403219619 /nfs/dbraw/zinc/21/96/19/403219619.db2.gz QRIHVPKURNYUJR-AWEZNQCLSA-N 0 3 310.463 2.356 20 30 DEEDHN CCOCC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000277607321 403236357 /nfs/dbraw/zinc/23/63/57/403236357.db2.gz FOUAHPCPEQTRQG-MRXNPFEDSA-N 0 3 318.417 2.189 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnc(N(C)C)cn1 ZINC000330625100 403291884 /nfs/dbraw/zinc/29/18/84/403291884.db2.gz SOPRXDBPFLNZIQ-MJBXVCDLSA-N 0 3 319.453 2.214 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284454322 403267803 /nfs/dbraw/zinc/26/78/03/403267803.db2.gz STOSGXNBEGKJNX-RHSMWYFYSA-N 0 3 320.433 2.395 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000285269691 403280290 /nfs/dbraw/zinc/28/02/90/403280290.db2.gz JOJIPLXDIALAKD-QGZVFWFLSA-N 0 3 303.406 2.183 20 30 DEEDHN C[C@@H]1CC(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000339089654 403350249 /nfs/dbraw/zinc/35/02/49/403350249.db2.gz BOTFQBJKZPHUIJ-PBFPGSCMSA-N 0 3 315.417 2.268 20 30 DEEDHN CC(C)[C@H](NCCCOc1cccc(C#N)c1)c1nncn1C ZINC000285531487 403319843 /nfs/dbraw/zinc/31/98/43/403319843.db2.gz ZZGBPDVXWARDND-INIZCTEOSA-N 0 3 313.405 2.443 20 30 DEEDHN COC[C@@H]1CCCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000342746223 403331780 /nfs/dbraw/zinc/33/17/80/403331780.db2.gz FGQHZWWRVAKPKZ-UXLLHSPISA-N 0 3 309.454 2.178 20 30 DEEDHN C=CCCN(C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000342762904 403340534 /nfs/dbraw/zinc/34/05/34/403340534.db2.gz GXJKNQAJRBJSSK-MRXNPFEDSA-N 0 3 306.381 2.234 20 30 DEEDHN C#CCN(C)CCC(=O)Nc1ccc(Br)cc1F ZINC000298403883 403375486 /nfs/dbraw/zinc/37/54/86/403375486.db2.gz FFGJPBGYVCWQPT-UHFFFAOYSA-N 0 3 313.170 2.482 20 30 DEEDHN COC(=O)C1CCN(CCCNc2cccc(F)c2C#N)CC1 ZINC000298670655 403436006 /nfs/dbraw/zinc/43/60/06/403436006.db2.gz NLLNTMIMUNZRRH-UHFFFAOYSA-N 0 3 319.380 2.384 20 30 DEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(SC)cc1 ZINC000345812298 403492832 /nfs/dbraw/zinc/49/28/32/403492832.db2.gz ULAXFNWBGSJRSY-GXFFZTMASA-N 0 3 306.387 2.289 20 30 DEEDHN COc1ccc([C@H](CNC(=O)C(C)C#N)N2CCCCC2)cc1 ZINC000345673923 403431808 /nfs/dbraw/zinc/43/18/08/403431808.db2.gz XEEGIJYPISSTRY-PBHICJAKSA-N 0 3 315.417 2.498 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000299152625 403536021 /nfs/dbraw/zinc/53/60/21/403536021.db2.gz NEYRJWHFKTWWFQ-AWEZNQCLSA-N 0 3 300.402 2.218 20 30 DEEDHN C=CCN(CC=C)C[C@H](O)COc1c(OC)cccc1OC ZINC000299217780 403549397 /nfs/dbraw/zinc/54/93/97/403549397.db2.gz ILCMRKDBNHFHHB-AWEZNQCLSA-N 0 3 307.390 2.118 20 30 DEEDHN N#CCCOCCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000293527499 403496368 /nfs/dbraw/zinc/49/63/68/403496368.db2.gz PDPUSEVFFLYZDH-UHFFFAOYSA-N 0 3 305.397 2.264 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCCC#N ZINC000345836848 403503986 /nfs/dbraw/zinc/50/39/86/403503986.db2.gz GKYYLKQTOAGNBS-UHFFFAOYSA-N 0 3 306.385 2.203 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@H]1Cc1ccccc1Cl ZINC000293585369 403511299 /nfs/dbraw/zinc/51/12/99/403511299.db2.gz UCHDXTMBYHIRJV-HNNXBMFYSA-N 0 3 304.821 2.486 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC1(C)C ZINC000299102130 403521651 /nfs/dbraw/zinc/52/16/51/403521651.db2.gz XVLXEYOPXVHKHP-INIZCTEOSA-N 0 3 314.433 2.430 20 30 DEEDHN CC(C)(C)N1C[C@H](C(=O)NCCCC#N)[C@H](C(F)(F)F)C1 ZINC000346346700 403585730 /nfs/dbraw/zinc/58/57/30/403585730.db2.gz ASFYRMRHLOOVGM-WDEREUQCSA-N 0 3 305.344 2.315 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1ccc2ccccc2c1 ZINC000293866959 403586369 /nfs/dbraw/zinc/58/63/69/403586369.db2.gz BOHVSNMJKXLQKV-UHFFFAOYSA-N 0 3 310.397 2.290 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000293874868 403588641 /nfs/dbraw/zinc/58/86/41/403588641.db2.gz CBNVSPLEDGGDMW-ZDUSSCGKSA-N 0 3 308.809 2.179 20 30 DEEDHN C[C@H](NCCOCCC#N)c1ccc(N2CCOC2=O)cc1 ZINC000293890329 403591188 /nfs/dbraw/zinc/59/11/88/403591188.db2.gz VAIUFZYGGBCZHZ-ZDUSSCGKSA-N 0 3 303.362 2.224 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000301180848 403598866 /nfs/dbraw/zinc/59/88/66/403598866.db2.gz NDXQKYZKBAEJFH-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN CC[C@@H]1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CCO1 ZINC000332381734 403566065 /nfs/dbraw/zinc/56/60/65/403566065.db2.gz HFCLMNDUBSFSAN-DOTOQJQBSA-N 0 3 314.433 2.280 20 30 DEEDHN CN1CCC[C@H](N2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000301263737 403608106 /nfs/dbraw/zinc/60/81/06/403608106.db2.gz FXUOJSRHYVFERV-INIZCTEOSA-N 0 3 318.852 2.428 20 30 DEEDHN N#CCc1ccc(CN(CCO)CCOCC(F)(F)F)cc1 ZINC000343521973 403620975 /nfs/dbraw/zinc/62/09/75/403620975.db2.gz GJYRHMUQQXNXLD-UHFFFAOYSA-N 0 3 316.323 2.126 20 30 DEEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OC[C@@H]2CCCO2)c1 ZINC000343707247 403701486 /nfs/dbraw/zinc/70/14/86/403701486.db2.gz OGINYKFQAZISMA-HIFRSBDPSA-N 0 3 302.374 2.329 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOc1ccccc1C ZINC000294110180 403650404 /nfs/dbraw/zinc/65/04/04/403650404.db2.gz YYPYJFMPJVHPOI-UHFFFAOYSA-N 0 3 302.418 2.225 20 30 DEEDHN CN1CC[C@@H]2CCN(c3ncc(Br)cc3C#N)[C@@H]2C1 ZINC000294899802 403737575 /nfs/dbraw/zinc/73/75/75/403737575.db2.gz GYLQMJVQOQOQFW-ZWNOBZJWSA-N 0 3 321.222 2.246 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000288330884 403745958 /nfs/dbraw/zinc/74/59/58/403745958.db2.gz VIEYQYSTEAGAQT-MRXNPFEDSA-N 0 3 311.429 2.482 20 30 DEEDHN CN(Cc1ccccn1)[C@@H]1CCCN(c2nccc(C#N)n2)CC1 ZINC000295142057 403772365 /nfs/dbraw/zinc/77/23/65/403772365.db2.gz ZQRRCTGZMGUPGM-QGZVFWFLSA-N 0 3 322.416 2.234 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1C ZINC000341205552 403832885 /nfs/dbraw/zinc/83/28/85/403832885.db2.gz QUYORDUVMYEUCW-BBRMVZONSA-N 0 3 300.406 2.182 20 30 DEEDHN CC1(C)C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 ZINC000333598427 403789240 /nfs/dbraw/zinc/78/92/40/403789240.db2.gz PIDLOWJCDFWZPB-GOEBONIOSA-N 0 3 313.401 2.211 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000354569347 403882024 /nfs/dbraw/zinc/88/20/24/403882024.db2.gz PBZYVAWGUBVFES-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000341281897 403883768 /nfs/dbraw/zinc/88/37/68/403883768.db2.gz JMGFHMRDZYCYLY-UHFFFAOYSA-N 0 3 315.417 2.177 20 30 DEEDHN C#CCCOc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000368966270 403918430 /nfs/dbraw/zinc/91/84/30/403918430.db2.gz YALJKJBSFXPQFA-CGTJXYLNSA-N 0 3 312.413 2.175 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nccn1CC(F)(F)F ZINC000411640436 403921463 /nfs/dbraw/zinc/92/14/63/403921463.db2.gz KNZNOBNFMBJFFO-UHFFFAOYSA-N 0 3 304.360 2.385 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362070522 403923554 /nfs/dbraw/zinc/92/35/54/403923554.db2.gz XNWPHUUHMYGNLD-AEFFLSMTSA-N 0 3 319.493 2.239 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1OC ZINC000411647778 403923401 /nfs/dbraw/zinc/92/34/01/403923401.db2.gz YLKZHHPJJDWWTQ-OAHLLOKOSA-N 0 3 319.449 2.462 20 30 DEEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2nccc(C#N)c2Cl)C1 ZINC000347902697 403942727 /nfs/dbraw/zinc/94/27/27/403942727.db2.gz BOLRFMKVUVPMGM-KBPBESRZSA-N 0 3 320.824 2.296 20 30 DEEDHN C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000305881977 403948990 /nfs/dbraw/zinc/94/89/90/403948990.db2.gz VOERDNBVPPSBJF-XJADACSNSA-N 0 3 321.465 2.008 20 30 DEEDHN Cc1c[nH]nc1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000289408565 403950300 /nfs/dbraw/zinc/95/03/00/403950300.db2.gz BEDVRXKFELGGGR-UHFFFAOYSA-N 0 3 311.389 2.465 20 30 DEEDHN CC[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)OC ZINC000289423412 403957441 /nfs/dbraw/zinc/95/74/41/403957441.db2.gz BUQYKNIZKIYPOF-INIZCTEOSA-N 0 3 313.405 2.373 20 30 DEEDHN CC[C@@H](CC#N)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000354770923 404001333 /nfs/dbraw/zinc/00/13/33/404001333.db2.gz JDHASROOIKOBIJ-ZDUSSCGKSA-N 0 3 304.394 2.441 20 30 DEEDHN COC[C@H]1CCCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000369255436 404020886 /nfs/dbraw/zinc/02/08/86/404020886.db2.gz WCLSBOUINUAZHO-INIZCTEOSA-N 0 3 321.465 2.420 20 30 DEEDHN C=CC1CCN(C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000348184662 404050048 /nfs/dbraw/zinc/05/00/48/404050048.db2.gz KYLNTBMCRCVKMH-HNNXBMFYSA-N 0 3 321.417 2.342 20 30 DEEDHN CO[C@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296046242 404065346 /nfs/dbraw/zinc/06/53/46/404065346.db2.gz OHBJMKFBTPSJCT-WBVHZDCISA-N 0 3 318.417 2.045 20 30 DEEDHN COc1ccncc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000348408609 404065740 /nfs/dbraw/zinc/06/57/40/404065740.db2.gz OSQSLJJXANHWKL-HNNXBMFYSA-N 0 3 309.369 2.479 20 30 DEEDHN C[C@@H](CNC(=O)c1coc(C2CCOCC2)n1)N(C)C1CC1 ZINC000328688891 404130080 /nfs/dbraw/zinc/13/00/80/404130080.db2.gz QEUAVXZEAMFURK-NSHDSACASA-N 0 3 307.394 2.356 20 30 DEEDHN COc1cc(C#N)ccc1CN(C)C(C)(C)CN1CCOCC1 ZINC000412096777 404131776 /nfs/dbraw/zinc/13/17/76/404131776.db2.gz NSWQTJIPHYHXSY-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CO)[C@@H]1C ZINC000412098199 404133627 /nfs/dbraw/zinc/13/36/27/404133627.db2.gz VNEOFTFTVZXCRE-ZFWWWQNUSA-N 0 3 304.390 2.038 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1C ZINC000352086376 404135185 /nfs/dbraw/zinc/13/51/85/404135185.db2.gz PCFFUHLPJDBKPO-QZTJIDSGSA-N 0 3 324.428 2.039 20 30 DEEDHN O=C(NCCN1CCC2(CCCCC2)CC1)[C@H]1COCCO1 ZINC000328728694 404138272 /nfs/dbraw/zinc/13/82/72/404138272.db2.gz VSVFMXOUMGSRIY-OAHLLOKOSA-N 0 3 310.438 2.405 20 30 DEEDHN C[C@@H](CNC(=O)C1CCN(C2CC2)CC1)N1CCCCC1=O ZINC000328749999 404144425 /nfs/dbraw/zinc/14/44/25/404144425.db2.gz MOKZPVVLGUFMOB-ZDUSSCGKSA-N 0 3 307.438 2.218 20 30 DEEDHN COc1ccc(CN2CCCN(c3nccc(C#N)n3)CC2)cc1 ZINC000296207708 404144640 /nfs/dbraw/zinc/14/46/40/404144640.db2.gz CMFWOPDDXSEJKO-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)C[C@@H](C)O ZINC000352211075 404217617 /nfs/dbraw/zinc/21/76/17/404217617.db2.gz IVZKRKURRZBIES-KGLIPLIRSA-N 0 3 310.463 2.354 20 30 DEEDHN CC(C)n1cc([C@@H]2CN([C@H]3CC[C@H](C#N)C3)C[C@H]2CO)cn1 ZINC000328828139 404158088 /nfs/dbraw/zinc/15/80/88/404158088.db2.gz JUQMAJNQTBWXIE-HJWJTTGWSA-N 0 3 302.422 2.164 20 30 DEEDHN N#CCCCOc1cccc(CNCCN2CCCOCC2)c1 ZINC000349409648 404159307 /nfs/dbraw/zinc/15/93/07/404159307.db2.gz SHPSRBVSCUNKHK-UHFFFAOYSA-N 0 3 317.433 2.181 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)N(C)C1CC1 ZINC000329017315 404201028 /nfs/dbraw/zinc/20/10/28/404201028.db2.gz KREYDUYSTGFCHW-JGGQBBKZSA-N 0 3 320.437 2.327 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1c(F)cccc1F ZINC000296337756 404203104 /nfs/dbraw/zinc/20/31/04/404203104.db2.gz MVCOCXCVXQTHSC-LBPRGKRZSA-N 0 3 309.360 2.280 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000352245181 404243032 /nfs/dbraw/zinc/24/30/32/404243032.db2.gz DROCJHJJAKGVAB-OAHLLOKOSA-N 0 3 315.392 2.327 20 30 DEEDHN CCCC(=O)N1CCCC[C@@H]1C(=O)NCC1=CCN(C)CC1 ZINC000329184110 404256739 /nfs/dbraw/zinc/25/67/39/404256739.db2.gz FVEDAHBDEHBWDL-OAHLLOKOSA-N 0 3 307.438 2.386 20 30 DEEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c[nH]1 ZINC000344633533 404274201 /nfs/dbraw/zinc/27/42/01/404274201.db2.gz LJZKKQZFCGTYAO-SNVBAGLBSA-N 0 3 308.297 2.168 20 30 DEEDHN C[C@H](NC(=O)c1cccc2c1OCCO2)C1=CCN(C)CC1 ZINC000329265138 404283797 /nfs/dbraw/zinc/28/37/97/404283797.db2.gz CEONSRTVEXXGCE-LBPRGKRZSA-N 0 3 302.374 2.413 20 30 DEEDHN CCCC[C@@H](C)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000352397225 404340541 /nfs/dbraw/zinc/34/05/41/404340541.db2.gz IMQRQVLPLNSEFN-IAGOWNOFSA-N 0 3 322.497 2.189 20 30 DEEDHN CCCC[C@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000352397226 404340803 /nfs/dbraw/zinc/34/08/03/404340803.db2.gz IMQRQVLPLNSEFN-IRXDYDNUSA-N 0 3 322.497 2.189 20 30 DEEDHN CC(C)N1CCC(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000329504139 404357800 /nfs/dbraw/zinc/35/78/00/404357800.db2.gz GZLZVWZGZXDQMC-AWEZNQCLSA-N 0 3 316.467 2.031 20 30 DEEDHN O=C1CC[C@@H](NCC#Cc2ccccc2Cl)[C@H](C2CC2)N1 ZINC000342027898 404322909 /nfs/dbraw/zinc/32/29/09/404322909.db2.gz CYWQANYYLLHLOS-WBVHZDCISA-N 0 3 302.805 2.338 20 30 DEEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000355318868 404323318 /nfs/dbraw/zinc/32/33/18/404323318.db2.gz ROWIBHXIBDMQET-PBHICJAKSA-N 0 3 318.417 2.173 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1cc(C)cn1)C(C)C ZINC000344782444 404363853 /nfs/dbraw/zinc/36/38/53/404363853.db2.gz FKNVYTGJEMSSBC-MRXNPFEDSA-N 0 3 304.438 2.006 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(CC)n[nH]1)C(C)C ZINC000344785359 404365533 /nfs/dbraw/zinc/36/55/33/404365533.db2.gz LSNPXVDCLIFUER-INIZCTEOSA-N 0 3 304.438 2.401 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296934720 404378585 /nfs/dbraw/zinc/37/85/85/404378585.db2.gz SMWLIDWXFUCJLE-DAXOMENPSA-N 0 3 315.442 2.000 20 30 DEEDHN C[C@@H](NC(=O)NCC1C[C@@H](C)O[C@H](C)C1)C1=CCN(C)CC1 ZINC000329594691 404387740 /nfs/dbraw/zinc/38/77/40/404387740.db2.gz OSRZNYMUICIYEX-MGPQQGTHSA-N 0 3 309.454 2.344 20 30 DEEDHN CC1(C)C[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)C(C)(C)O1 ZINC000329627223 404399246 /nfs/dbraw/zinc/39/92/46/404399246.db2.gz UEYBQLNUNCPJHP-GWCFXTLKSA-N 0 3 306.410 2.117 20 30 DEEDHN CC1(C)C[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)C(C)(C)O1 ZINC000329627223 404399254 /nfs/dbraw/zinc/39/92/54/404399254.db2.gz UEYBQLNUNCPJHP-GWCFXTLKSA-N 0 3 306.410 2.117 20 30 DEEDHN CC1CCN(C[C@@H](O)CNC(=O)C2(C3CC3)CCOCC2)CC1 ZINC000329632948 404403158 /nfs/dbraw/zinc/40/31/58/404403158.db2.gz SCBBWAUDGFGDGV-INIZCTEOSA-N 0 3 324.465 2.243 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C1 ZINC000291515421 404409321 /nfs/dbraw/zinc/40/93/21/404409321.db2.gz QYOQPJLKWBCGTR-JSGCOSHPSA-N 0 3 318.808 2.163 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)Cc1c(F)cccc1C#N ZINC000352633459 404504788 /nfs/dbraw/zinc/50/47/88/404504788.db2.gz OHZQDQLORFAYSH-UHFFFAOYSA-N 0 3 305.397 2.286 20 30 DEEDHN CN1CCN(CC(=O)N[C@@H]2CCCCC23CCCC3)CC1=O ZINC000329745036 404439060 /nfs/dbraw/zinc/43/90/60/404439060.db2.gz QYTPIAPIIFRYOU-CQSZACIVSA-N 0 3 307.438 2.220 20 30 DEEDHN Cc1cncc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000350725424 404451373 /nfs/dbraw/zinc/45/13/73/404451373.db2.gz WUUXEIBLNRGCGB-QGZVFWFLSA-N 0 3 304.353 2.260 20 30 DEEDHN C[C@@H]1CN(c2ccc(F)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000371349580 404457716 /nfs/dbraw/zinc/45/77/16/404457716.db2.gz KCTDRGFLPMULSX-RHSMWYFYSA-N 0 3 316.424 2.160 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](O)[C@H](C)C1)C(C)C ZINC000350748150 404459671 /nfs/dbraw/zinc/45/96/71/404459671.db2.gz LXOSIQPWHBRBAE-BRWVUGGUSA-N 0 3 323.481 2.097 20 30 DEEDHN N#CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000345158548 404584811 /nfs/dbraw/zinc/58/48/11/404584811.db2.gz YUASICGCOFUIHZ-OAHLLOKOSA-N 0 3 303.381 2.458 20 30 DEEDHN CC(C(=O)NCC1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330054624 404539915 /nfs/dbraw/zinc/53/99/15/404539915.db2.gz SGYFSDKZJJJKBH-NSHDSACASA-N 0 3 303.424 2.115 20 30 DEEDHN CC#CCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000297501056 404562143 /nfs/dbraw/zinc/56/21/43/404562143.db2.gz OGBYZAVJYDPTOX-HNNXBMFYSA-N 0 3 305.447 2.334 20 30 DEEDHN C=C(C)CN1CCC(NCc2ncc(CN(C)C)s2)CC1 ZINC000352752353 404595017 /nfs/dbraw/zinc/59/50/17/404595017.db2.gz YCOVCDYMHFIOBH-UHFFFAOYSA-N 0 3 308.495 2.335 20 30 DEEDHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000330407107 404651379 /nfs/dbraw/zinc/65/13/79/404651379.db2.gz ISKYVIAJFRLRBD-KBPBESRZSA-N 0 3 303.406 2.223 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[C@H]1CCCO1 ZINC000342565681 404653541 /nfs/dbraw/zinc/65/35/41/404653541.db2.gz HNHVGXDGTBHPBE-LSDHHAIUSA-N 0 3 307.438 2.218 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN(C2CCC2)C2CCC2)C1 ZINC000330263374 404604867 /nfs/dbraw/zinc/60/48/67/404604867.db2.gz WKOPCFYIAHQOHJ-CQSZACIVSA-N 0 3 307.438 2.361 20 30 DEEDHN CCn1cc(-c2n[nH]cc2C(=O)NC2CCN(CC)CC2)cn1 ZINC000330273551 404611490 /nfs/dbraw/zinc/61/14/90/404611490.db2.gz ZJLAAPFGTPLVTO-UHFFFAOYSA-N 0 3 316.409 2.082 20 30 DEEDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000351525712 404625197 /nfs/dbraw/zinc/62/51/97/404625197.db2.gz TVPSMMZVVXGNPJ-GOEBONIOSA-N 0 3 321.808 2.291 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000330354889 404635555 /nfs/dbraw/zinc/63/55/55/404635555.db2.gz PYKBJUMAPPLKFN-VNQPRFMTSA-N 0 3 320.437 2.329 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000330558720 404688364 /nfs/dbraw/zinc/68/83/64/404688364.db2.gz ICTNHMMFKRPYCQ-OLZOCXBDSA-N 0 3 320.462 2.363 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357288705 404732104 /nfs/dbraw/zinc/73/21/04/404732104.db2.gz SZHHHEJYARNNNL-ZOBUZTSGSA-N 0 3 319.449 2.162 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccnc(SC)c2)CC1 ZINC000357431419 404734239 /nfs/dbraw/zinc/73/42/39/404734239.db2.gz HIFFKOURXZWLFR-UHFFFAOYSA-N 0 3 320.462 2.253 20 30 DEEDHN Cn1cc(CNCc2ccc(C[S@](C)=O)cc2)cc1C#N ZINC000353129252 404749998 /nfs/dbraw/zinc/74/99/98/404749998.db2.gz SUUCFSIJPDYCPL-NRFANRHFSA-N 0 3 301.415 2.065 20 30 DEEDHN Cc1nccnc1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000358264865 404758321 /nfs/dbraw/zinc/75/83/21/404758321.db2.gz LCCKONFZZDABTK-INIZCTEOSA-N 0 3 308.385 2.216 20 30 DEEDHN C=C(CC)CN1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000358492950 404764078 /nfs/dbraw/zinc/76/40/78/404764078.db2.gz BRPARLJKRAYBLB-AWEZNQCLSA-N 0 3 308.426 2.251 20 30 DEEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414692535 404709795 /nfs/dbraw/zinc/70/97/95/404709795.db2.gz QKNJTJIOIJLOPH-HNNXBMFYSA-N 0 3 319.424 2.011 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CCO)c1ccccc1Br ZINC000359607014 404798275 /nfs/dbraw/zinc/79/82/75/404798275.db2.gz BYRAENAZQNBMBJ-SKDRFNHKSA-N 0 3 311.179 2.148 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOCC3(CCC3)C2)CC1 ZINC000376297297 404819157 /nfs/dbraw/zinc/81/91/57/404819157.db2.gz YPNMDIRNJSVDCR-UHFFFAOYSA-N 0 3 321.465 2.239 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(OC3CCC3)CC2)CC1 ZINC000416678386 404877881 /nfs/dbraw/zinc/87/78/81/404877881.db2.gz FNANSDJUWGZCRT-UHFFFAOYSA-N 0 3 321.465 2.380 20 30 DEEDHN CN(C)CCOC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000353537171 404860030 /nfs/dbraw/zinc/86/00/30/404860030.db2.gz ZRHMFTOWUJJJEV-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435252403 404966908 /nfs/dbraw/zinc/96/69/08/404966908.db2.gz RPGGNZPFPILBNM-WMLDXEAASA-N 0 3 311.429 2.435 20 30 DEEDHN C[C@@H]1CN(c2cccc(F)c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000367059465 404913358 /nfs/dbraw/zinc/91/33/58/404913358.db2.gz GJKKWXCMUZPXTA-RHSMWYFYSA-N 0 3 316.424 2.160 20 30 DEEDHN COc1ccc(CC[C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424099929 405005861 /nfs/dbraw/zinc/00/58/61/405005861.db2.gz NFAABCGEEBHAQY-CJNGLKHVSA-N 0 3 303.406 2.154 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2c(cc1OC)OCO2 ZINC000435744204 405009004 /nfs/dbraw/zinc/00/90/04/405009004.db2.gz WFPLJRSBBRZZFK-PXAZEXFGSA-N 0 3 305.374 2.495 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1CCc1ccccc1 ZINC000424108118 405009085 /nfs/dbraw/zinc/00/90/85/405009085.db2.gz ZVYBJRXKOFIFHE-HNNXBMFYSA-N 0 3 311.389 2.085 20 30 DEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H](COC)Cc1ccccc1 ZINC000424120160 405012780 /nfs/dbraw/zinc/01/27/80/405012780.db2.gz GYSOOUBIFMKLHK-IAGOWNOFSA-N 0 3 317.433 2.114 20 30 DEEDHN Cc1ccc(CNC(=O)[C@H](N)CCCC#N)c(OCC2CC2)c1 ZINC000424120754 405012908 /nfs/dbraw/zinc/01/29/08/405012908.db2.gz HAKYOQHFCOBONP-MRXNPFEDSA-N 0 3 315.417 2.421 20 30 DEEDHN CO[C@@H](CNC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424128241 405015364 /nfs/dbraw/zinc/01/53/64/405015364.db2.gz RHANBNHCKVJABC-KGLIPLIRSA-N 0 3 309.797 2.165 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccccc1OCC#N ZINC000367333144 405016157 /nfs/dbraw/zinc/01/61/57/405016157.db2.gz OXEADXGYTNJYSY-CABCVRRESA-N 0 3 313.401 2.288 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000424130731 405017067 /nfs/dbraw/zinc/01/70/67/405017067.db2.gz HRMNHXDBXQLONP-OAHLLOKOSA-N 0 3 320.824 2.010 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451704659 405018004 /nfs/dbraw/zinc/01/80/04/405018004.db2.gz KVCRFZBZJLPIER-VVLHAWIVSA-N 0 3 308.466 2.282 20 30 DEEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424148498 405022276 /nfs/dbraw/zinc/02/22/76/405022276.db2.gz FQYYTEUXQDUYDB-ZACQAIPSSA-N 0 3 315.417 2.353 20 30 DEEDHN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)n1 ZINC000424159422 405025699 /nfs/dbraw/zinc/02/56/99/405025699.db2.gz SRGNLXSALJNKTM-OLZOCXBDSA-N 0 3 306.435 2.179 20 30 DEEDHN C=CCn1cc(CNC2CCN(Cc3ccccc3)CC2)nn1 ZINC000424168345 405028711 /nfs/dbraw/zinc/02/87/11/405028711.db2.gz FKSHRNKYAIOTSM-UHFFFAOYSA-N 0 3 311.433 2.218 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424175042 405029689 /nfs/dbraw/zinc/02/96/89/405029689.db2.gz SRNVCIOGBWVOGP-MAUKXSAKSA-N 0 3 311.433 2.074 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000424177600 405030881 /nfs/dbraw/zinc/03/08/81/405030881.db2.gz UTDXKBWHTXMLPB-JYJNAYRXSA-N 0 3 301.390 2.044 20 30 DEEDHN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424073657 404995257 /nfs/dbraw/zinc/99/52/57/404995257.db2.gz FTXBEIPWHOWZMV-HNNXBMFYSA-N 0 3 316.405 2.128 20 30 DEEDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000451822941 405052859 /nfs/dbraw/zinc/05/28/59/405052859.db2.gz LQBPBEBKKUGLHM-HZPDHXFCSA-N 0 3 320.481 2.134 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccn(CC)c2=O)CC1 ZINC000417233114 405070411 /nfs/dbraw/zinc/07/04/11/405070411.db2.gz RKNXATRSYNRGGS-UHFFFAOYSA-N 0 3 318.421 2.030 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN(CC1CC1)CC1CCC1 ZINC000361564664 405134658 /nfs/dbraw/zinc/13/46/58/405134658.db2.gz NNYGMHAOMZNWBZ-UHFFFAOYSA-N 0 3 302.422 2.154 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(CC)ccn2)CC1 ZINC000437711559 405216498 /nfs/dbraw/zinc/21/64/98/405216498.db2.gz SZMMMHSVBSGEEO-UHFFFAOYSA-N 0 3 302.422 2.094 20 30 DEEDHN Cc1cc(NCc2ccccc2OCCN(C)C)c(C#N)cn1 ZINC000425231526 405261383 /nfs/dbraw/zinc/26/13/83/405261383.db2.gz VVZRTCBNCLGKIO-UHFFFAOYSA-N 0 3 310.401 2.236 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(C[C@H](c2ccccc2)N(C)C)C1=O ZINC000419912765 405271286 /nfs/dbraw/zinc/27/12/86/405271286.db2.gz JYQPQNFFQLYVDG-LSDHHAIUSA-N 0 3 301.390 2.176 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000425354623 405278579 /nfs/dbraw/zinc/27/85/79/405278579.db2.gz SCXVQBXVCDZUOX-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(C[C@@H](C)N(C)Cc2ccccc2)C1=O ZINC000420002924 405279288 /nfs/dbraw/zinc/27/92/88/405279288.db2.gz SHUDEMNHDHFJOA-ZBFHGGJFSA-N 0 3 315.417 2.394 20 30 DEEDHN CCCOc1c(OC)cc(CCNC(=O)C(C)C#N)cc1OC ZINC000452796240 405244609 /nfs/dbraw/zinc/24/46/09/405244609.db2.gz RYQZSYSPIGFSCM-GFCCVEGCSA-N 0 3 320.389 2.311 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419516834 405254110 /nfs/dbraw/zinc/25/41/10/405254110.db2.gz VEDMFOGLGLJKBL-LRDDRELGSA-N 0 3 300.406 2.185 20 30 DEEDHN C=C(CC)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000455521649 405421606 /nfs/dbraw/zinc/42/16/06/405421606.db2.gz LBWUJUNPDASXAO-HZPDHXFCSA-N 0 3 323.481 2.483 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1cncc(C#N)n1 ZINC000420605652 405360362 /nfs/dbraw/zinc/36/03/62/405360362.db2.gz WAWSWCXMEJQEHK-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN C[C@H](NC(=O)NCC1(N(C)C)CCC1)c1ccc(C#N)cc1 ZINC000445981470 405364898 /nfs/dbraw/zinc/36/48/98/405364898.db2.gz IVOCISVZZMASND-ZDUSSCGKSA-N 0 3 300.406 2.403 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)C1(OC)CCOCC1 ZINC000421037162 405438096 /nfs/dbraw/zinc/43/80/96/405438096.db2.gz RMNOCBLVUKIFNC-ZDUSSCGKSA-N 0 3 304.390 2.241 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000429721609 405445464 /nfs/dbraw/zinc/44/54/64/405445464.db2.gz XVALDZZOACTBDU-OAHLLOKOSA-N 0 3 321.440 2.270 20 30 DEEDHN CN(CCN1CCCC1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455782926 405449917 /nfs/dbraw/zinc/44/99/17/405449917.db2.gz KJLIQKHWRNUAMF-UHFFFAOYSA-N 0 3 307.785 2.166 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000448813129 405451190 /nfs/dbraw/zinc/45/11/90/405451190.db2.gz QDKQQJASWUYNFY-ZACQAIPSSA-N 0 3 302.418 2.305 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000448816863 405451722 /nfs/dbraw/zinc/45/17/22/405451722.db2.gz UEKNBQVZPYKBFI-SJORKVTESA-N 0 3 320.408 2.307 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC(F)(F)C2)CC1 ZINC000430563174 405457948 /nfs/dbraw/zinc/45/79/48/405457948.db2.gz IAVPLJSQDMWKQH-LBPRGKRZSA-N 0 3 301.381 2.371 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2cccc(CC#N)c2)CCSC1 ZINC000455911184 405460872 /nfs/dbraw/zinc/46/08/72/405460872.db2.gz DXLUIUDOLXOXDR-INIZCTEOSA-N 0 3 318.446 2.311 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000448972053 405479710 /nfs/dbraw/zinc/47/97/10/405479710.db2.gz WZJQYLUGHGOOQB-RHSMWYFYSA-N 0 3 321.490 2.404 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421714345 405611335 /nfs/dbraw/zinc/61/13/35/405611335.db2.gz VFWNRXPNHOURNW-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN CC(C)CO[C@@H]1CCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528404330 405593697 /nfs/dbraw/zinc/59/36/97/405593697.db2.gz OYCVCEIIRNRVOZ-DLBZAZTESA-N 0 3 318.417 2.045 20 30 DEEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000458984143 405678533 /nfs/dbraw/zinc/67/85/33/405678533.db2.gz FGJUTXBFRXZENN-UHFFFAOYSA-N 0 3 304.438 2.367 20 30 DEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)N(C)C ZINC000459045700 405713307 /nfs/dbraw/zinc/71/33/07/405713307.db2.gz UCOGJKBUAANNOE-AWEZNQCLSA-N 0 3 302.422 2.428 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000459043134 405711887 /nfs/dbraw/zinc/71/18/87/405711887.db2.gz OJOKVVRZYYVSOI-OIISXLGYSA-N 0 3 321.465 2.236 20 30 DEEDHN O=C1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000638897471 405747902 /nfs/dbraw/zinc/74/79/02/405747902.db2.gz JFFYNHLLZWDUTC-CQSZACIVSA-N 0 3 310.319 2.315 20 30 DEEDHN COCc1ccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1C#N ZINC000529209958 405753325 /nfs/dbraw/zinc/75/33/25/405753325.db2.gz BQSIRRYDTRTEPP-WBMJQRKESA-N 0 3 316.405 2.309 20 30 DEEDHN C=CCOc1ccc(C(=O)NC(C)(C)CN(C)C)cc1OC ZINC000457211878 405755167 /nfs/dbraw/zinc/75/51/67/405755167.db2.gz RPEYXKNQHXGPOO-UHFFFAOYSA-N 0 3 306.406 2.330 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)NC1CCN(CCCOC)CC1 ZINC000494871475 405776355 /nfs/dbraw/zinc/77/63/55/405776355.db2.gz BMBRJFCAKMNPNQ-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN CCOC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000529892712 405770133 /nfs/dbraw/zinc/77/01/33/405770133.db2.gz CKJLBTJAVPCPFS-SJORKVTESA-N 0 3 316.401 2.023 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495786040 405934391 /nfs/dbraw/zinc/93/43/91/405934391.db2.gz KWYYYRIPQILIHG-CZUORRHYSA-N 0 3 311.426 2.152 20 30 DEEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1N1CCOCC1 ZINC000633967516 405935194 /nfs/dbraw/zinc/93/51/94/405935194.db2.gz OZHUXHHHBOUNSR-OAHLLOKOSA-N 0 3 322.368 2.112 20 30 DEEDHN C[C@@H](C#N)OCCN(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495937067 405940817 /nfs/dbraw/zinc/94/08/17/405940817.db2.gz ULVRMBPYUOPCHS-DZGCQCFKSA-N 0 3 323.437 2.389 20 30 DEEDHN C[C@H](C#N)OCCN(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495937071 405940864 /nfs/dbraw/zinc/94/08/64/405940864.db2.gz ULVRMBPYUOPCHS-HIFRSBDPSA-N 0 3 323.437 2.389 20 30 DEEDHN CC(C)Oc1ccc2nccc(NCCn3cnc(C#N)n3)c2c1 ZINC000450523665 405940917 /nfs/dbraw/zinc/94/09/17/405940917.db2.gz IUZHDBWCFUMJTL-UHFFFAOYSA-N 0 3 322.372 2.019 20 30 DEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NC(C)(C)C ZINC000433307172 405918201 /nfs/dbraw/zinc/91/82/01/405918201.db2.gz USUQQFUXXDTZBS-HIFRSBDPSA-N 0 3 315.417 2.178 20 30 DEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000459485219 405923840 /nfs/dbraw/zinc/92/38/40/405923840.db2.gz TWWFJQMLRKWJPU-HUUCEWRRSA-N 0 3 317.433 2.360 20 30 DEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1 ZINC000562462909 406014008 /nfs/dbraw/zinc/01/40/08/406014008.db2.gz RIMAGRHJCBFLQY-WOPDTQHZSA-N 0 3 305.328 2.352 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1csc(-c2ccncc2)n1 ZINC000565713849 406082569 /nfs/dbraw/zinc/08/25/69/406082569.db2.gz BEWKNKGHEYLMSB-NSHDSACASA-N 0 3 301.375 2.165 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H]2C[C@H]1CS2 ZINC000459797664 406050106 /nfs/dbraw/zinc/05/01/06/406050106.db2.gz SIIKNQPEUWQUPQ-XHSDSOJGSA-N 0 3 305.443 2.345 20 30 DEEDHN N#CC1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000563589847 406060649 /nfs/dbraw/zinc/06/06/49/406060649.db2.gz HWSBLHGRKXIEPF-HNNXBMFYSA-N 0 3 315.392 2.458 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3(F)F)C2)cc1 ZINC000516943834 406113591 /nfs/dbraw/zinc/11/35/91/406113591.db2.gz QBDYOLPZPUPJKG-CQSZACIVSA-N 0 3 315.323 2.498 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CNCc1ccn(C)c1 ZINC000567685207 406118798 /nfs/dbraw/zinc/11/87/98/406118798.db2.gz XKCWCHWBEPTGTB-QGZVFWFLSA-N 0 3 300.402 2.283 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000567738893 406130292 /nfs/dbraw/zinc/13/02/92/406130292.db2.gz IGZPLSJOXSXAQV-DZGCQCFKSA-N 0 3 314.389 2.125 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634459484 406141492 /nfs/dbraw/zinc/14/14/92/406141492.db2.gz WMFSRCBNVSZKBW-KURKYZTESA-N 0 3 314.429 2.277 20 30 DEEDHN N#Cc1cnn2cc(CN[C@H](CCO)C3CCCCC3)cnc12 ZINC000567889107 406154533 /nfs/dbraw/zinc/15/45/33/406154533.db2.gz YHLAJOSEBKWQHD-MRXNPFEDSA-N 0 3 313.405 2.022 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1cccc(C#N)n1 ZINC000568085489 406191235 /nfs/dbraw/zinc/19/12/35/406191235.db2.gz HILCPDPCYDJPJK-AWEZNQCLSA-N 0 3 301.394 2.339 20 30 DEEDHN COC(=O)c1cccc(CN(C)C2CCC(CO)CC2)c1C#N ZINC000535554387 406223522 /nfs/dbraw/zinc/22/35/22/406223522.db2.gz XFMQFOSZGNJDPH-UHFFFAOYSA-N 0 3 316.401 2.328 20 30 DEEDHN C=CCSCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488578568 406333192 /nfs/dbraw/zinc/33/31/92/406333192.db2.gz YZEHBTWXVBAILY-CQSZACIVSA-N 0 3 311.495 2.421 20 30 DEEDHN C[C@@H]1[C@@H](CO)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000488762764 406346460 /nfs/dbraw/zinc/34/64/60/406346460.db2.gz PPTGPOQQKLSQGA-CZUORRHYSA-N 0 3 310.401 2.161 20 30 DEEDHN CCC1CCC(N(CCO)CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000488170918 406298551 /nfs/dbraw/zinc/29/85/51/406298551.db2.gz RFWILXAOPHWIET-GTPINHCMSA-N 0 3 323.481 2.258 20 30 DEEDHN Cc1nc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)ccc1C#N ZINC000547257671 406394448 /nfs/dbraw/zinc/39/44/48/406394448.db2.gz PKHNNTGHTVONTA-STQMWFEESA-N 0 3 322.372 2.167 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000489558255 406418200 /nfs/dbraw/zinc/41/82/00/406418200.db2.gz ZFBQQOCGLPTNCH-OAHLLOKOSA-N 0 3 300.468 2.137 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC1 ZINC000490679960 406481765 /nfs/dbraw/zinc/48/17/65/406481765.db2.gz WDQLDZJQWAYZQO-CYBMUJFWSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000490689853 406483041 /nfs/dbraw/zinc/48/30/41/406483041.db2.gz QAOQNIVGNRKWMB-RHSMWYFYSA-N 0 3 317.408 2.453 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@](C)(C2CC2)C(F)(F)F)CC1 ZINC000490780463 406492376 /nfs/dbraw/zinc/49/23/76/406492376.db2.gz LDSGKVTYWKGCQS-CQSZACIVSA-N 0 3 302.340 2.179 20 30 DEEDHN Cc1ccc([C@H](CNc2ncncc2C#N)N2CCCC2)cc1 ZINC000570838155 406446272 /nfs/dbraw/zinc/44/62/72/406446272.db2.gz KDYQJHCTQQLIHF-KRWDZBQOSA-N 0 3 307.401 2.328 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCSC1 ZINC000548633952 406533969 /nfs/dbraw/zinc/53/39/69/406533969.db2.gz QNCLTDRGVUJZMY-OAHLLOKOSA-N 0 3 323.849 2.379 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(C(=O)NCC#C)CC2)cc1 ZINC000491203754 406543793 /nfs/dbraw/zinc/54/37/93/406543793.db2.gz YPHFDDADDOPIRT-UHFFFAOYSA-N 0 3 324.424 2.050 20 30 DEEDHN C#CCN1CCC(C(=O)NC2CCC(CSC)CC2)CC1 ZINC000491255974 406554882 /nfs/dbraw/zinc/55/48/82/406554882.db2.gz YVGUMZPVSJMIPW-UHFFFAOYSA-N 0 3 308.491 2.370 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000491294312 406562658 /nfs/dbraw/zinc/56/26/58/406562658.db2.gz AXQBVODYDANZQQ-UHFFFAOYSA-N 0 3 319.836 2.404 20 30 DEEDHN C#CCN(C)CCCNC(=S)Nc1ccc(OCC)cc1 ZINC000491298900 406563429 /nfs/dbraw/zinc/56/34/29/406563429.db2.gz XLPLMDRVNHEBEA-UHFFFAOYSA-N 0 3 305.447 2.327 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000491349991 406574189 /nfs/dbraw/zinc/57/41/89/406574189.db2.gz LLACJASKBSICAI-UHFFFAOYSA-N 0 3 316.449 2.382 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000491406433 406586447 /nfs/dbraw/zinc/58/64/47/406586447.db2.gz NPCGIEJNVKPABB-MRXNPFEDSA-N 0 3 313.445 2.311 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000491440568 406593912 /nfs/dbraw/zinc/59/39/12/406593912.db2.gz PNMFDRSVUJGWJF-ZDUSSCGKSA-N 0 3 301.381 2.066 20 30 DEEDHN C=CCn1c(C)cc(C(=O)Cn2cc([C@@](C)(N)CC)nn2)c1C ZINC000640799368 406667638 /nfs/dbraw/zinc/66/76/38/406667638.db2.gz DXONXXJGLNAAFR-KRWDZBQOSA-N 0 3 315.421 2.349 20 30 DEEDHN C#CCNC(=O)CCNCCOc1cccc(C(C)(C)C)c1 ZINC000491693663 406672467 /nfs/dbraw/zinc/67/24/67/406672467.db2.gz UIQDREAAJGHAOF-UHFFFAOYSA-N 0 3 302.418 2.092 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1cc2ccccc2s1 ZINC000573339432 406772143 /nfs/dbraw/zinc/77/21/43/406772143.db2.gz VFGIZYUKGYKHLA-AWEZNQCLSA-N 0 3 303.431 2.197 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)c1ccn(CCN(C)C)n1 ZINC000573134420 406769523 /nfs/dbraw/zinc/76/95/23/406769523.db2.gz IXGYHJOSBFFVDA-UHFFFAOYSA-N 0 3 312.417 2.273 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000491781608 406717542 /nfs/dbraw/zinc/71/75/42/406717542.db2.gz GKXCJHJYVWZNFD-HIFRSBDPSA-N 0 3 303.406 2.157 20 30 DEEDHN C#C[C@H](CC)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000491809239 406730228 /nfs/dbraw/zinc/73/02/28/406730228.db2.gz XXVNEEUFRJPVGL-GOSISDBHSA-N 0 3 314.429 2.033 20 30 DEEDHN C=CCN1CCC(Nc2ccccc2S(=O)(=O)NCC)CC1 ZINC000641359394 406778974 /nfs/dbraw/zinc/77/89/74/406778974.db2.gz PFRVHPHKEVQDGL-UHFFFAOYSA-N 0 3 323.462 2.047 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2c1CCC2 ZINC000574273096 406781894 /nfs/dbraw/zinc/78/18/94/406781894.db2.gz ZRXAMJVNMBVBDU-LLVKDONJSA-N 0 3 305.341 2.206 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](c2nccn2C)C1 ZINC000575878287 406827341 /nfs/dbraw/zinc/82/73/41/406827341.db2.gz DKLVQJNWZBRECM-CABCVRRESA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCC[C@H](CO)NCc1ccnn1-c1ccccc1OC ZINC000641760335 406886424 /nfs/dbraw/zinc/88/64/24/406886424.db2.gz PTGHOCBIORELAI-CQSZACIVSA-N 0 3 301.390 2.298 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cn(-c2cccc(F)c2)nc1C ZINC000641767772 406887674 /nfs/dbraw/zinc/88/76/74/406887674.db2.gz QSLXKZGPHQPYAA-INIZCTEOSA-N 0 3 301.365 2.184 20 30 DEEDHN N#C[C@]1(NC(=O)c2ccc(CN3CCCCC3)cc2)CCOC1 ZINC000555366413 406842823 /nfs/dbraw/zinc/84/28/23/406842823.db2.gz GNWAUHUUPWZXRU-GOSISDBHSA-N 0 3 313.401 2.085 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646922260 406926275 /nfs/dbraw/zinc/92/62/75/406926275.db2.gz KXUWOKQYRZWNIT-XJKSGUPXSA-N 0 3 316.401 2.036 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645488681 407285230 /nfs/dbraw/zinc/28/52/30/407285230.db2.gz JICVFCHPMCZJHO-JYJNAYRXSA-N 0 3 309.454 2.093 20 30 DEEDHN C[C@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000570934696 292516344 /nfs/dbraw/zinc/51/63/44/292516344.db2.gz OUKGUARSMSHKLL-AAEUAGOBSA-N 0 3 301.365 2.359 20 30 DEEDHN CN(C)C1(CN(C)C(=O)Cc2ccc(OCC#N)cc2)CCC1 ZINC000188019982 225006829 /nfs/dbraw/zinc/00/68/29/225006829.db2.gz CUWFBGQQBCKVEU-UHFFFAOYSA-N 0 3 315.417 2.074 20 30 DEEDHN O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CCN(C2CC2)C1 ZINC000329324582 225865018 /nfs/dbraw/zinc/86/50/18/225865018.db2.gz VPMYVEUJYKNKGI-AWEZNQCLSA-N 0 3 312.417 2.451 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCSC1 ZINC000333378920 226105431 /nfs/dbraw/zinc/10/54/31/226105431.db2.gz AXZAUQUTPXDNDT-HZPDHXFCSA-N 0 3 307.463 2.014 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000331577270 226086335 /nfs/dbraw/zinc/08/63/35/226086335.db2.gz OMTRPGZTQNHEIW-LLVKDONJSA-N 0 3 300.387 2.105 20 30 DEEDHN CN(C(=O)CN[C@H](C1CC1)C(C)(C)CO)C1(C#N)CCCCC1 ZINC000339731018 226190241 /nfs/dbraw/zinc/19/02/41/226190241.db2.gz MLKQIVBGQVHBSH-MRXNPFEDSA-N 0 3 321.465 2.058 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000338728810 226169790 /nfs/dbraw/zinc/16/97/90/226169790.db2.gz UMULESCRTSCTJQ-PBHICJAKSA-N 0 3 317.408 2.159 20 30 DEEDHN COCCN(CCCOc1ccc(F)cc1)C(=O)C(C)C#N ZINC000345513535 226602298 /nfs/dbraw/zinc/60/22/98/226602298.db2.gz WORPAHDNLCRKPA-ZDUSSCGKSA-N 0 3 308.353 2.229 20 30 DEEDHN COC[C@@H]1CCCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000369947262 227041650 /nfs/dbraw/zinc/04/16/50/227041650.db2.gz FQMMBPVSNXXNMT-OAHLLOKOSA-N 0 3 307.438 2.078 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc(Br)cc1C#N ZINC000297519328 227250515 /nfs/dbraw/zinc/25/05/15/227250515.db2.gz OJEYCLZCVYTPDL-MFKMUULPSA-N 0 3 323.238 2.492 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2cc(C)ccc2F)C[C@H]1C ZINC001328262496 1148758288 /nfs/dbraw/zinc/75/82/88/1148758288.db2.gz XQIADQXBZQFOPF-CABCVRRESA-N 0 3 318.392 2.115 20 30 DEEDHN Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)ncc1C#N ZINC000603113879 422445359 /nfs/dbraw/zinc/44/53/59/422445359.db2.gz WWSKLSUZFBVQPW-GJZGRUSLSA-N 0 3 313.405 2.400 20 30 DEEDHN N#Cc1c(-n2cccn2)cccc1N1CCN(CC2CC2)CC1 ZINC000518216025 269996224 /nfs/dbraw/zinc/99/62/24/269996224.db2.gz DTWZUJYTKCOGQM-UHFFFAOYSA-N 0 3 307.401 2.276 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3C#N)c(C)c2)CC1 ZINC001348579100 1151172288 /nfs/dbraw/zinc/17/22/88/1151172288.db2.gz HTMROFMMIDQUMC-GDBMZVCRSA-N 0 3 312.417 2.235 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000575111782 424945753 /nfs/dbraw/zinc/94/57/53/424945753.db2.gz ZTBIRFBZYRTVLK-AWEZNQCLSA-N 0 3 317.437 2.722 20 30 DEEDHN COc1ccccc1[C@H](CNc1cc(C#N)ncn1)N1CCCC1 ZINC000582838870 424981848 /nfs/dbraw/zinc/98/18/48/424981848.db2.gz VKRMGDMMCFCYBQ-INIZCTEOSA-N 0 3 323.400 2.606 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000649407041 425012214 /nfs/dbraw/zinc/01/22/14/425012214.db2.gz DLEFZASSIFLMAH-CVEARBPZSA-N 0 3 306.450 2.038 20 30 DEEDHN C=CCNc1ncc(C(=O)Nc2ccc(CN(C)C)cc2)s1 ZINC000432917662 425019194 /nfs/dbraw/zinc/01/91/94/425019194.db2.gz LXQZJTJUQJQCOF-UHFFFAOYSA-N 0 3 316.430 3.055 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880669 425047778 /nfs/dbraw/zinc/04/77/78/425047778.db2.gz RZFLVPCTWMDQBY-SMDDNHRTSA-N 0 3 309.373 2.187 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880669 425047781 /nfs/dbraw/zinc/04/77/81/425047781.db2.gz RZFLVPCTWMDQBY-SMDDNHRTSA-N 0 3 309.373 2.187 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC000450248823 425066459 /nfs/dbraw/zinc/06/64/59/425066459.db2.gz YPYLBICMKDQEFT-AWEZNQCLSA-N 0 3 319.409 2.804 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000651724894 425144705 /nfs/dbraw/zinc/14/47/05/425144705.db2.gz LEOJAEAETCLEMN-ILXRZTDVSA-N 0 3 302.422 2.250 20 30 DEEDHN C=CCN(C(=O)NCCN1CCCC[C@H]1CC)[C@@H](C)COC ZINC000664178312 425323853 /nfs/dbraw/zinc/32/38/53/425323853.db2.gz IIHOUMBYTCOVIB-JKSUJKDBSA-N 0 3 311.470 2.483 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000661115916 425327070 /nfs/dbraw/zinc/32/70/70/425327070.db2.gz VIGKEJUKFPCTRG-WCQYABFASA-N 0 3 301.394 2.293 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000661115916 425327073 /nfs/dbraw/zinc/32/70/73/425327073.db2.gz VIGKEJUKFPCTRG-WCQYABFASA-N 0 3 301.394 2.293 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661120459 425328672 /nfs/dbraw/zinc/32/86/72/425328672.db2.gz OVRCFRGFCUSRQB-ZNMIVQPWSA-N 0 3 309.454 2.140 20 30 DEEDHN O=C(NCC#Cc1ccccc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654362379 425333458 /nfs/dbraw/zinc/33/34/58/425333458.db2.gz PGDKHMPYPQMFMM-ZWKOTPCHSA-N 0 3 311.429 2.354 20 30 DEEDHN C=C[C@H](CO)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000664126221 425313008 /nfs/dbraw/zinc/31/30/08/425313008.db2.gz OWULQCHUUNWYKZ-IAGOWNOFSA-N 0 3 317.433 2.060 20 30 DEEDHN C=CCNC(=O)c1ccc(NC[C@@H]2CCN2C(C)(C)C)nc1 ZINC000664143176 425315460 /nfs/dbraw/zinc/31/54/60/425315460.db2.gz SDFJIAHQHJWVJO-AWEZNQCLSA-N 0 3 302.422 2.282 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccccn2)CC1 ZINC000654431443 425352822 /nfs/dbraw/zinc/35/28/22/425352822.db2.gz LZIPCPVHWWYMTP-HNNXBMFYSA-N 0 3 316.449 2.352 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654553750 425379409 /nfs/dbraw/zinc/37/94/09/425379409.db2.gz CMKGGAOLCRZWJV-JKSUJKDBSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCOCCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000661792862 425502730 /nfs/dbraw/zinc/50/27/30/425502730.db2.gz KHSMBWRBJFVOIS-UHFFFAOYSA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(C[C@@H](O)CCC=C)[C@@H](C)[C@@H]1C ZINC000662225772 425592757 /nfs/dbraw/zinc/59/27/57/425592757.db2.gz NYNGAAWTHSPJEB-XLAORIBOSA-N 0 3 310.482 2.035 20 30 DEEDHN C=CCOCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000666524474 425769442 /nfs/dbraw/zinc/76/94/42/425769442.db2.gz DUIHRDWGCJBWJQ-UHFFFAOYSA-N 0 3 311.470 2.343 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c(F)c1 ZINC000370860686 269087154 /nfs/dbraw/zinc/08/71/54/269087154.db2.gz JUURCGZERFMJNX-MSOLQXFVSA-N 0 3 317.408 2.430 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000296844622 275380142 /nfs/dbraw/zinc/38/01/42/275380142.db2.gz JMPHXZBYORYYBE-INIZCTEOSA-N 0 3 314.433 2.129 20 30 DEEDHN CCn1nccc1N1CCC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1=O ZINC000193351677 276726402 /nfs/dbraw/zinc/72/64/02/276726402.db2.gz MQLQQQWKOWPSNP-KKUMJFAQSA-N 0 3 315.421 2.070 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](O)C1)C(C)C ZINC000357567555 276891677 /nfs/dbraw/zinc/89/16/77/276891677.db2.gz ILUQOBHOCAWEIG-GVDBMIGSSA-N 0 3 323.481 2.097 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCCC12CCN(C)CC2 ZINC000329082030 277754941 /nfs/dbraw/zinc/75/49/41/277754941.db2.gz SCWRGFZFIVFJNN-KGLIPLIRSA-N 0 3 322.453 2.216 20 30 DEEDHN CO[C@](C)([C@H](C)NCC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000411938860 277774536 /nfs/dbraw/zinc/77/45/36/277774536.db2.gz FAXSGMWOSGBOOZ-WMLDXEAASA-N 0 3 321.465 2.464 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C(=O)OCC)CC1)C(C)C ZINC000266875681 277847288 /nfs/dbraw/zinc/84/72/88/277847288.db2.gz YWZWOUKTZVVZTN-HNNXBMFYSA-N 0 3 322.449 2.145 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(C#N)CCOCC1)C(C)C ZINC000112919914 277849892 /nfs/dbraw/zinc/84/98/92/277849892.db2.gz IPPHGXCUERPUSU-MRXNPFEDSA-N 0 3 319.449 2.122 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000305834325 278148959 /nfs/dbraw/zinc/14/89/59/278148959.db2.gz WMRDIPCAYAXWLI-PMPSAXMXSA-N 0 3 321.465 2.200 20 30 DEEDHN CC1(C)CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[C@@H]1O ZINC000329410704 278290998 /nfs/dbraw/zinc/29/09/98/278290998.db2.gz AKXMNUXRBQHIGD-GJZGRUSLSA-N 0 3 309.454 2.010 20 30 DEEDHN CC(C)(C)N1CCC(NS(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331296022 278341547 /nfs/dbraw/zinc/34/15/47/278341547.db2.gz CPHFDRJCMMOPIG-UHFFFAOYSA-N 0 3 315.483 2.109 20 30 DEEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000248564956 288076133 /nfs/dbraw/zinc/07/61/33/288076133.db2.gz DQYYQISEHJZRDO-QLFBSQMISA-N 0 3 307.438 2.265 20 30 DEEDHN C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)O1 ZINC000295819016 278996947 /nfs/dbraw/zinc/99/69/47/278996947.db2.gz XSOFSUJKRMKMRK-OMNBBPDLSA-N 0 3 313.401 2.209 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328642484 288114307 /nfs/dbraw/zinc/11/43/07/288114307.db2.gz FYBYBOCFBCSQFH-VNQPRFMTSA-N 0 3 321.465 2.322 20 30 DEEDHN C[C@H]1CN(C(=O)c2cccc(F)c2C#N)CCN(C2CC2)C1 ZINC000452171620 300197071 /nfs/dbraw/zinc/19/70/71/300197071.db2.gz KSGWBWATEJDKKK-GFCCVEGCSA-N 0 3 301.365 2.254 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000338119563 300910832 /nfs/dbraw/zinc/91/08/32/300910832.db2.gz PRCXNKUXAQRBKE-MRXNPFEDSA-N 0 3 315.417 2.050 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000193035946 303158458 /nfs/dbraw/zinc/15/84/58/303158458.db2.gz ODEAPLRNLXKJLZ-IJLUTSLNSA-N 0 3 303.328 2.212 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCOc2ccccc2)C[C@@H]1C ZINC001328284949 1148766452 /nfs/dbraw/zinc/76/64/52/1148766452.db2.gz PYBKLVLJMSKNIW-DLBZAZTESA-N 0 3 314.429 2.448 20 30 DEEDHN CC(=O)c1cccc(OC[C@@H](O)CNCc2cccc(C#N)c2)c1 ZINC000575039589 326211749 /nfs/dbraw/zinc/21/17/49/326211749.db2.gz RWXKBUKEPKQQDG-SFHVURJKSA-N 0 3 324.380 2.290 20 30 DEEDHN Cc1cc(NCC2CCN(c3ccncc3)CC2)c(C#N)cn1 ZINC000575384243 326237132 /nfs/dbraw/zinc/23/71/32/326237132.db2.gz OHBCAVOTXLDFQX-UHFFFAOYSA-N 0 3 307.401 2.407 20 30 DEEDHN CC(C)O[C@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)C1(C)C ZINC000577280695 326355427 /nfs/dbraw/zinc/35/54/27/326355427.db2.gz GXJFVNYLERELOJ-GJZGRUSLSA-N 0 3 313.405 2.283 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000518308383 332010974 /nfs/dbraw/zinc/01/09/74/332010974.db2.gz AHKWCXTYSSHXPR-BMFZPTHFSA-N 0 3 309.431 2.172 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)NCC1(C#N)CC1)c1ccco1 ZINC000561523679 332459995 /nfs/dbraw/zinc/45/99/95/332459995.db2.gz UQFHJDLUFDWBLM-STQMWFEESA-N 0 3 304.394 2.312 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000181160725 333029054 /nfs/dbraw/zinc/02/90/54/333029054.db2.gz BALBZPQDORXTTC-CQSZACIVSA-N 0 3 309.454 2.282 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCN1CCCC[C@H]1CC ZINC000582045291 333184929 /nfs/dbraw/zinc/18/49/29/333184929.db2.gz KVMSZUFKBUSMPX-OAGGEKHMSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN1CC[C@H](N2CCC[C@H]2Cc2cccc(OC)c2)C1=O ZINC000518782383 333199631 /nfs/dbraw/zinc/19/96/31/333199631.db2.gz WHIKLQSMFIZLIU-WMZOPIPTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H]1CCN(CCc2ccccc2)C1 ZINC000120334150 334315490 /nfs/dbraw/zinc/31/54/90/334315490.db2.gz KOIXWVPUQDTZTR-QGZVFWFLSA-N 0 3 322.474 2.047 20 30 DEEDHN C=C[C@H](CC(=O)N(CCN(C)C)CCN(C)C)c1ccccc1 ZINC000534799816 334337454 /nfs/dbraw/zinc/33/74/54/334337454.db2.gz MVUNWJDLRDPQRL-QGZVFWFLSA-N 0 3 317.477 2.298 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)cc2C)CC1 ZINC000532509005 336252809 /nfs/dbraw/zinc/25/28/09/336252809.db2.gz RFJXFAQDFHXNMO-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000375112711 337003673 /nfs/dbraw/zinc/00/36/73/337003673.db2.gz WMKHQGGFRWEUKO-FUHWJXTLSA-N 0 3 321.465 2.141 20 30 DEEDHN N#Cc1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 ZINC000393835716 337093986 /nfs/dbraw/zinc/09/39/86/337093986.db2.gz PWSGOFJJROGDJK-DLBZAZTESA-N 0 3 319.412 2.307 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000429727603 338088431 /nfs/dbraw/zinc/08/84/31/338088431.db2.gz CFUBATNGDRWQSV-IXDOHACOSA-N 0 3 309.498 2.367 20 30 DEEDHN C#CCN(C(=O)NC1CCN(CCOC)CC1)C1CCCCC1 ZINC000490590123 339835200 /nfs/dbraw/zinc/83/52/00/339835200.db2.gz OIYSGUIZPWMTMD-UHFFFAOYSA-N 0 3 321.465 2.075 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000516592278 340128156 /nfs/dbraw/zinc/12/81/56/340128156.db2.gz LZXDGMRNLGYNMN-MZBWOGCUSA-N 0 3 306.450 2.156 20 30 DEEDHN C#CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000304989276 340373572 /nfs/dbraw/zinc/37/35/72/340373572.db2.gz KQEAMGOPJSCSAJ-INIZCTEOSA-N 0 3 318.373 2.212 20 30 DEEDHN CC[C@@H](CNC(=O)NC[C@@H](C)C#N)N1CCc2ccccc2C1 ZINC000543802711 341059606 /nfs/dbraw/zinc/05/96/06/341059606.db2.gz GYDVMDWEVCXUIH-YOEHRIQHSA-N 0 3 314.433 2.282 20 30 DEEDHN N#CCSCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072519526 341089606 /nfs/dbraw/zinc/08/96/06/341089606.db2.gz ILKLVGNJYGGARD-GFCCVEGCSA-N 0 3 321.406 2.123 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)[C@H]1OC ZINC000248741193 341385638 /nfs/dbraw/zinc/38/56/38/341385638.db2.gz DIBZETQHPPEARF-MWQQHZPXSA-N 0 3 323.481 2.470 20 30 DEEDHN CCN(C(=O)NC[C@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249278926 341395873 /nfs/dbraw/zinc/39/58/73/341395873.db2.gz FNTXLZNGTPTQCP-WBVHZDCISA-N 0 3 314.433 2.452 20 30 DEEDHN N#CCc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000566406429 341556792 /nfs/dbraw/zinc/55/67/92/341556792.db2.gz FBBTVQPFCNUYJL-ZWKOTPCHSA-N 0 3 305.381 2.320 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001357066406 1152230841 /nfs/dbraw/zinc/23/08/41/1152230841.db2.gz AGPAIYMZCJIJGB-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001376914981 1159844868 /nfs/dbraw/zinc/84/48/68/1159844868.db2.gz VHTUOHNQSSMBLH-GJZGRUSLSA-N 0 3 315.889 2.296 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC001357397816 1152295432 /nfs/dbraw/zinc/29/54/32/1152295432.db2.gz WJRFSTAFMKKZQR-ZDUSSCGKSA-N 0 3 302.378 2.052 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H](C)n1cccn1)C1CC1 ZINC001378411795 1152320635 /nfs/dbraw/zinc/32/06/35/1152320635.db2.gz JWILLOHVDFVTLT-BBRMVZONSA-N 0 3 324.856 2.461 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CCOC[C@H]1OC ZINC001358052765 1152358341 /nfs/dbraw/zinc/35/83/41/1152358341.db2.gz UZNFLFXATLDIPH-ARFHVFGLSA-N 0 3 314.470 2.327 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CCOC[C@@H]1OC ZINC001358052768 1152358407 /nfs/dbraw/zinc/35/84/07/1152358407.db2.gz UZNFLFXATLDIPH-XHSDSOJGSA-N 0 3 314.470 2.327 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001329950928 1149022366 /nfs/dbraw/zinc/02/23/66/1149022366.db2.gz FCMCZZGCBBNVFK-XIRDDKMYSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C1CN(C[C@H]2CCCCO2)C1 ZINC001329985421 1149027185 /nfs/dbraw/zinc/02/71/85/1149027185.db2.gz UGACNPCKWWJBEQ-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@H]1C ZINC001089052317 782139100 /nfs/dbraw/zinc/13/91/00/782139100.db2.gz XWEJCDMXCJNGIU-KGLIPLIRSA-N 0 3 303.406 2.173 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3oc(C)nc32)[C@H]1C ZINC001089066155 782146119 /nfs/dbraw/zinc/14/61/19/782146119.db2.gz TXWHKHAVIGYHHL-DOMZBBRYSA-N 0 3 311.385 2.352 20 30 DEEDHN CN(C)[C@]1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCSC1 ZINC000548633951 500767348 /nfs/dbraw/zinc/76/73/48/500767348.db2.gz QNCLTDRGVUJZMY-HNNXBMFYSA-N 0 3 323.849 2.379 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)CC1(C)C ZINC001330188975 1149064640 /nfs/dbraw/zinc/06/46/40/1149064640.db2.gz BBJHWVXRRLQYLG-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378744002 1152432792 /nfs/dbraw/zinc/43/27/92/1152432792.db2.gz PBKOQQCLCKBIET-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001378757230 1152437143 /nfs/dbraw/zinc/43/71/43/1152437143.db2.gz PJYLEKKKWMFFQA-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCOC[C@H]2C)CCCC1 ZINC001400950083 1161851553 /nfs/dbraw/zinc/85/15/53/1161851553.db2.gz BHGDXGVAHSFODX-TZMCWYRMSA-N 0 3 314.857 2.430 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001330325480 1149092314 /nfs/dbraw/zinc/09/23/14/1149092314.db2.gz CGBPHLBIEMCREI-ZSOGYDGISA-N 0 3 316.367 2.426 20 30 DEEDHN C=CC[C@H](CO)CNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449206051 534396527 /nfs/dbraw/zinc/39/65/27/534396527.db2.gz PBHUDRPMGOFEHV-AWEZNQCLSA-N 0 3 301.390 2.155 20 30 DEEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCN1CCCO)c1ccccc1 ZINC000452360713 534514744 /nfs/dbraw/zinc/51/47/44/534514744.db2.gz IYXRXXHIBRXRRU-FUHWJXTLSA-N 0 3 316.445 2.309 20 30 DEEDHN Cc1cnc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)s1 ZINC000330466463 534567656 /nfs/dbraw/zinc/56/76/56/534567656.db2.gz WYVYJBGYTQJHCN-GFCCVEGCSA-N 0 3 312.439 2.040 20 30 DEEDHN CN1CCC2(CCN(Cc3ccc(F)c(C#N)c3)CC2)C1=O ZINC000365483905 523788876 /nfs/dbraw/zinc/78/88/76/523788876.db2.gz NRVFGDZIYNAUIE-UHFFFAOYSA-N 0 3 301.365 2.142 20 30 DEEDHN C=CCOCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456353600 534868421 /nfs/dbraw/zinc/86/84/21/534868421.db2.gz ZPBUGFVEAZSZSI-MRXNPFEDSA-N 0 3 302.418 2.170 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001358823831 1152497241 /nfs/dbraw/zinc/49/72/41/1152497241.db2.gz NYWGXAMJSTUPTK-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(C)C ZINC000451509288 534913118 /nfs/dbraw/zinc/91/31/18/534913118.db2.gz XBRIESIFUFQJMI-VBQJREDUSA-N 0 3 309.454 2.223 20 30 DEEDHN CC#CCCN(Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292492304 526305693 /nfs/dbraw/zinc/30/56/93/526305693.db2.gz TWXKZOWHTPCGHZ-UHFFFAOYSA-N 0 3 305.447 2.369 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000378065950 526425326 /nfs/dbraw/zinc/42/53/26/526425326.db2.gz CCIWMSDGAZOYDL-CVEARBPZSA-N 0 3 321.465 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](COCC)C(C)C)CC1 ZINC000190558753 526592500 /nfs/dbraw/zinc/59/25/00/526592500.db2.gz ARZXXPLEDVDGRE-INIZCTEOSA-N 0 3 311.470 2.387 20 30 DEEDHN N#Cc1cccc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000339218760 526723095 /nfs/dbraw/zinc/72/30/95/526723095.db2.gz XWCRFCHMEHNFDL-SFHVURJKSA-N 0 3 308.385 2.002 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1cccc(F)c1 ZINC000297471756 526813022 /nfs/dbraw/zinc/81/30/22/526813022.db2.gz LRPBTLSNCDAMJO-UHFFFAOYSA-N 0 3 305.397 2.315 20 30 DEEDHN C=CCOc1ccc(CNCCN2CCC(O)CC2)cc1Cl ZINC000294884083 526886153 /nfs/dbraw/zinc/88/61/53/526886153.db2.gz QGYFZHWONVOIDG-UHFFFAOYSA-N 0 3 324.852 2.451 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1CCCN1CC(C)C ZINC000341535429 526962954 /nfs/dbraw/zinc/96/29/54/526962954.db2.gz SHDJKQMLNDGRJW-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000296618349 527104838 /nfs/dbraw/zinc/10/48/38/527104838.db2.gz WQZVSRCHJJBERB-SJORKVTESA-N 0 3 321.442 2.144 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000411029068 527115907 /nfs/dbraw/zinc/11/59/07/527115907.db2.gz PTYHOODMWILLNH-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340219242 527119271 /nfs/dbraw/zinc/11/92/71/527119271.db2.gz UCIAIBFJIYDMAY-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000342013420 527119325 /nfs/dbraw/zinc/11/93/25/527119325.db2.gz JVZKYYGEFXOPQR-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000341450680 527150185 /nfs/dbraw/zinc/15/01/85/527150185.db2.gz FVJJKEWUMWUJDL-IXDOHACOSA-N 0 3 322.497 2.009 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](O)[C@H]1C ZINC000451450930 527263761 /nfs/dbraw/zinc/26/37/61/527263761.db2.gz CBOJDZXDRZTHFS-OIISXLGYSA-N 0 3 305.418 2.000 20 30 DEEDHN Cc1nccn1CCCN(C)CC(=O)Nc1cccc(C#N)c1 ZINC000130699757 527407382 /nfs/dbraw/zinc/40/73/82/527407382.db2.gz IVSJSBAOJQHXBC-UHFFFAOYSA-N 0 3 311.389 2.024 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192983379 527414527 /nfs/dbraw/zinc/41/45/27/527414527.db2.gz DSXHVYJHEJCWBV-INIZCTEOSA-N 0 3 308.447 2.004 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000428052868 527604077 /nfs/dbraw/zinc/60/40/77/527604077.db2.gz IZZOEOMWWZUAGR-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN CCOC(=O)[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000337137916 527840360 /nfs/dbraw/zinc/84/03/60/527840360.db2.gz QCEBLEPFQOPDHR-OAHLLOKOSA-N 0 3 308.422 2.362 20 30 DEEDHN CC(C)OCCN1CCC(/N=C/c2cccc(O)c2O)CC1 ZINC000267055871 527953998 /nfs/dbraw/zinc/95/39/98/527953998.db2.gz KZESAZWABBDEGJ-LDADJPATSA-N 0 3 306.406 2.406 20 30 DEEDHN CCN(CC)CC(=O)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444611557 528084420 /nfs/dbraw/zinc/08/44/20/528084420.db2.gz RSIGVYWGORQOLB-UHFFFAOYSA-N 0 3 322.497 2.192 20 30 DEEDHN CCC[C@]1(COC)CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000194938934 528527885 /nfs/dbraw/zinc/52/78/85/528527885.db2.gz BJZFMHLOGGJOBD-DOTOQJQBSA-N 0 3 309.454 2.276 20 30 DEEDHN CCOC(=O)N1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000369186026 528967768 /nfs/dbraw/zinc/96/77/68/528967768.db2.gz BLCBQIYQKYPUND-UHFFFAOYSA-N 0 3 323.437 2.251 20 30 DEEDHN CCN1CCN([C@@H](C)CNC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000330886714 529150528 /nfs/dbraw/zinc/15/05/28/529150528.db2.gz DYPQZCKMTYKJIF-ZDUSSCGKSA-N 0 3 322.453 2.303 20 30 DEEDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)N(C)C ZINC000193099378 535109767 /nfs/dbraw/zinc/10/97/67/535109767.db2.gz BSCKCGDOKOFDOG-MRXNPFEDSA-N 0 3 323.462 2.203 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001327595231 1148594676 /nfs/dbraw/zinc/59/46/76/1148594676.db2.gz MLJACGAHONRSJD-LNLFQRSKSA-N 0 3 320.477 2.025 20 30 DEEDHN COC[C@@]1(C(=O)C(C#N)c2nc(C(C)C)cs2)CCOC1 ZINC000835200009 649890420 /nfs/dbraw/zinc/89/04/20/649890420.db2.gz DMBDSQHVYBBGES-ABAIWWIYSA-N 0 3 308.403 2.496 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CCCn2ccnc2C)C1 ZINC001379588294 1152647311 /nfs/dbraw/zinc/64/73/11/1152647311.db2.gz 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C#CCSCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823862033 608520848 /nfs/dbraw/zinc/52/08/48/608520848.db2.gz XIUKSJIQYSNFMZ-OAHLLOKOSA-N 0 3 313.430 2.200 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001381327686 1153004763 /nfs/dbraw/zinc/00/47/63/1153004763.db2.gz DFQJQYURJJWXCR-OZOYIQBDSA-N 0 3 301.228 2.035 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(F)cn1 ZINC001025224411 625281687 /nfs/dbraw/zinc/28/16/87/625281687.db2.gz PLRNRHUKJQQIAJ-IRXDYDNUSA-N 0 3 315.392 2.313 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccnc3ccncc32)C1 ZINC001023512587 625304110 /nfs/dbraw/zinc/30/41/10/625304110.db2.gz QFQAMUXJRNBEMI-OAHLLOKOSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001023556142 625324391 /nfs/dbraw/zinc/32/43/91/625324391.db2.gz IKOTXGITIMWHIY-RDTXWAMCSA-N 0 3 314.404 2.317 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001023564903 625326397 /nfs/dbraw/zinc/32/63/97/625326397.db2.gz VOFLZSRNVRFRGE-KLAILNCOSA-N 0 3 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C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000970905915 623778995 /nfs/dbraw/zinc/77/89/95/623778995.db2.gz XQGLPMKCWIIABH-GFCCVEGCSA-N 0 3 303.406 2.030 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000970905917 623779765 /nfs/dbraw/zinc/77/97/65/623779765.db2.gz XQGLPMKCWIIABH-LBPRGKRZSA-N 0 3 303.406 2.030 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2nccc3occc32)C1 ZINC001021641206 623887476 /nfs/dbraw/zinc/88/74/76/623887476.db2.gz ZZWCJTGBMVDAIN-HOCLYGCPSA-N 0 3 323.396 2.388 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(C)n2)C1 ZINC001021660359 623914896 /nfs/dbraw/zinc/91/48/96/623914896.db2.gz YTFKTXKSNQMUIA-DZGCQCFKSA-N 0 3 303.431 2.011 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2oc(CC)nc2C)C1 ZINC001021707071 623991963 /nfs/dbraw/zinc/99/19/63/623991963.db2.gz QZJMDVAYWNMZQU-LSDHHAIUSA-N 0 3 315.417 2.105 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccccc2C)C1 ZINC001021730099 624011451 /nfs/dbraw/zinc/01/14/51/624011451.db2.gz 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624509422 /nfs/dbraw/zinc/50/94/22/624509422.db2.gz WIBJFYAWAXGLAD-LBPRGKRZSA-N 0 3 304.419 2.037 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)c3cocn3)C2)s1 ZINC000998727972 634387811 /nfs/dbraw/zinc/38/78/11/634387811.db2.gz ARHGWTIJEGSPOU-NSHDSACASA-N 0 3 316.386 2.002 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC000998735038 634389550 /nfs/dbraw/zinc/38/95/50/634389550.db2.gz LQMPFIMKMJCGOY-UDNWOFFPSA-N 0 3 323.181 2.129 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891784553 624600541 /nfs/dbraw/zinc/60/05/41/624600541.db2.gz YVPZUHUBMBRINE-UHFFFAOYSA-N 0 3 316.449 2.042 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnoc2-c2ccco2)C1 ZINC000971813357 624603237 /nfs/dbraw/zinc/60/32/37/624603237.db2.gz JXUHLFLYTWAPFR-GFCCVEGCSA-N 0 3 301.346 2.267 20 30 DEEDHN C#Cc1cccc(CNC(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC000891942240 624672433 /nfs/dbraw/zinc/67/24/33/624672433.db2.gz IYDOSXQAZACNJH-LJQANCHMSA-N 0 3 319.408 2.182 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC000971914010 624716587 /nfs/dbraw/zinc/71/65/87/624716587.db2.gz CSGGMMFXAJNZLG-ZFWWWQNUSA-N 0 3 318.392 2.411 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC001022593643 624769125 /nfs/dbraw/zinc/76/91/25/624769125.db2.gz OOJNLHKNPSXYQA-WTDIUWLJSA-N 0 3 322.840 2.065 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(OCC)cc2)C1 ZINC001027666996 634410232 /nfs/dbraw/zinc/41/02/32/634410232.db2.gz MWYQSAZFFCKGTK-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2CCC)C[C@H]1C ZINC000947494692 624852325 /nfs/dbraw/zinc/85/23/25/624852325.db2.gz ZYKVKZAEZZMCOZ-KGLIPLIRSA-N 0 3 304.438 2.141 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2F)C[C@H]1C ZINC000947507796 624931126 /nfs/dbraw/zinc/93/11/26/624931126.db2.gz YJTFWTDLCCPRSN-KGLIPLIRSA-N 0 3 318.392 2.440 20 30 DEEDHN N#Cc1ccc(OC2CCC(Nc3ccncc3CO)CC2)nc1 ZINC000893076694 625096046 /nfs/dbraw/zinc/09/60/46/625096046.db2.gz DMPBTVSMCZQNJL-UHFFFAOYSA-N 0 3 324.384 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001023038536 625142006 /nfs/dbraw/zinc/14/20/06/625142006.db2.gz MGMCGOVKDPKGPB-OKILXGFUSA-N 0 3 318.808 2.095 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nncc3ccccc32)C[C@@H]1C ZINC000947536539 625142762 /nfs/dbraw/zinc/14/27/62/625142762.db2.gz HGGVFPSICRMASK-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026127529 625144600 /nfs/dbraw/zinc/14/46/00/625144600.db2.gz CWJZAMDLEAUNQT-LFDJNIOPSA-N 0 3 323.440 2.397 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001023178728 625176429 /nfs/dbraw/zinc/17/64/29/625176429.db2.gz KWAUDDKKBYWXPH-BNOWGMLFSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001023371409 625243328 /nfs/dbraw/zinc/24/33/28/625243328.db2.gz YXNZNDXJQFGQHW-OLZOCXBDSA-N 0 3 323.462 2.478 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001023371408 625243675 /nfs/dbraw/zinc/24/36/75/625243675.db2.gz YXNZNDXJQFGQHW-CHWSQXEVSA-N 0 3 323.462 2.478 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001023378769 625246265 /nfs/dbraw/zinc/24/62/65/625246265.db2.gz FBHMMCFQHCMHBC-RYQLBKOJSA-N 0 3 311.429 2.037 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnc(C)cn1 ZINC001025194885 625255796 /nfs/dbraw/zinc/25/57/96/625255796.db2.gz HDNHKAYDFHWHRE-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001025199081 625256644 /nfs/dbraw/zinc/25/66/44/625256644.db2.gz SVFJKKKGNBRHFO-IAGOWNOFSA-N 0 3 313.445 2.426 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001025199080 625256701 /nfs/dbraw/zinc/25/67/01/625256701.db2.gz SVFJKKKGNBRHFO-DLBZAZTESA-N 0 3 313.445 2.426 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001025199082 625257323 /nfs/dbraw/zinc/25/73/23/625257323.db2.gz SVFJKKKGNBRHFO-IRXDYDNUSA-N 0 3 313.445 2.426 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1C ZINC001025213400 625271016 /nfs/dbraw/zinc/27/10/16/625271016.db2.gz LVVLVVBTNPSGGJ-HZPDHXFCSA-N 0 3 314.433 2.119 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001026747196 625720161 /nfs/dbraw/zinc/72/01/61/625720161.db2.gz FCKPJXOBTARFDH-KXPUMZMLSA-N 0 3 309.413 2.463 20 30 DEEDHN CC(C)=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001024395442 625747807 /nfs/dbraw/zinc/74/78/07/625747807.db2.gz AAWKUKKSXSWLAW-OAHLLOKOSA-N 0 3 300.406 2.437 20 30 DEEDHN NC(=O)c1ccccc1N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC000892947661 625760826 /nfs/dbraw/zinc/76/08/26/625760826.db2.gz GHTJCUQOYODIRY-KRWDZBQOSA-N 0 3 319.408 2.006 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc(OCC)c2)C1 ZINC001027697668 634456163 /nfs/dbraw/zinc/45/61/63/634456163.db2.gz WMBBRBXVHDROTP-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(OC)c(C4CC4)c3)[C@@H]2C1 ZINC000978892933 634450470 /nfs/dbraw/zinc/45/04/70/634450470.db2.gz PTHGUFARVVUXPI-NNZMDNLPSA-N 0 3 324.424 2.113 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000177102996 625805591 /nfs/dbraw/zinc/80/55/91/625805591.db2.gz UHZDRPGELUDSJL-UHFFFAOYSA-N 0 3 321.352 2.423 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024484177 625808413 /nfs/dbraw/zinc/80/84/13/625808413.db2.gz MUGZLPHVZAFBST-INIZCTEOSA-N 0 3 313.445 2.432 20 30 DEEDHN CCc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)nc1 ZINC000892492308 625889279 /nfs/dbraw/zinc/88/92/79/625889279.db2.gz UDHNOXGSNHDPTL-MRXNPFEDSA-N 0 3 313.401 2.344 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024578453 625902666 /nfs/dbraw/zinc/90/26/66/625902666.db2.gz UDUCLJRJAIERLK-AWEZNQCLSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(F)cc3Cl)[C@@H]2C1 ZINC000978999011 634473384 /nfs/dbraw/zinc/47/33/84/634473384.db2.gz ASTUBTXZXOTVLW-ZSOGYDGISA-N 0 3 320.795 2.328 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(OC(C)C)cc3)[C@@H]2C1 ZINC000979029253 634481383 /nfs/dbraw/zinc/48/13/83/634481383.db2.gz RUDKKYAPEGDQQS-NNZMDNLPSA-N 0 3 312.413 2.015 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC000999129017 634483061 /nfs/dbraw/zinc/48/30/61/634483061.db2.gz OSRZSFFZHKHQBT-OAHLLOKOSA-N 0 3 317.820 2.229 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC4CCC3CC4)[C@@H]2C1 ZINC000979115319 634505281 /nfs/dbraw/zinc/50/52/81/634505281.db2.gz WSSYIMUHJYQYJF-ZTOKUXEPSA-N 0 3 300.446 2.130 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999251231 634536084 /nfs/dbraw/zinc/53/60/84/634536084.db2.gz PIKLXEAHUZAZJQ-CQSZACIVSA-N 0 3 324.856 2.279 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2C1 ZINC000979481988 634655133 /nfs/dbraw/zinc/65/51/33/634655133.db2.gz KGWTZOVXDMCVSY-ZMSDIMECSA-N 0 3 315.392 2.434 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2C1 ZINC000979481968 634655340 /nfs/dbraw/zinc/65/53/40/634655340.db2.gz KGWTZOVXDMCVSY-BFYDXBDKSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000999904078 634700492 /nfs/dbraw/zinc/70/04/92/634700492.db2.gz PVSKLIXIMZJNNR-DAXOMENPSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCN1C ZINC000925345265 634750627 /nfs/dbraw/zinc/75/06/27/634750627.db2.gz XCNPECYRZISZAW-CJNGLKHVSA-N 0 3 312.417 2.329 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCCO[C@H]3C)CC2)CC1 ZINC001000137111 634763128 /nfs/dbraw/zinc/76/31/28/634763128.db2.gz GFYGNKROVUXFJR-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC001000189934 634783581 /nfs/dbraw/zinc/78/35/81/634783581.db2.gz JWQSOBLQTWYUPQ-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3nccc4[nH]ccc43)CC2)CC1 ZINC001000259752 634828758 /nfs/dbraw/zinc/82/87/58/634828758.db2.gz PICCQPFBAJVCCM-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCc2ccccc21 ZINC000836207512 650064238 /nfs/dbraw/zinc/06/42/38/650064238.db2.gz SNHBFIJDYDHHIU-QGZVFWFLSA-N 0 3 313.445 2.361 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(OC(C)C)c1 ZINC000836227483 650067153 /nfs/dbraw/zinc/06/71/53/650067153.db2.gz YTUNWLWLJSUMBD-UHFFFAOYSA-N 0 3 317.433 2.228 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1cc(C)cc(C)c1 ZINC000836320080 650079488 /nfs/dbraw/zinc/07/94/88/650079488.db2.gz IOHPIXSASBRQBJ-UHFFFAOYSA-N 0 3 301.434 2.100 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)Oc1ccccc1C ZINC000836327643 650079912 /nfs/dbraw/zinc/07/99/12/650079912.db2.gz GHYHVWUABHMXBC-MRXNPFEDSA-N 0 3 317.433 2.017 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cc2c(s1)CCCC2 ZINC000836487286 650097299 /nfs/dbraw/zinc/09/72/99/650097299.db2.gz CMBYHZLLPRULKR-UHFFFAOYSA-N 0 3 319.474 2.381 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000836490048 650097552 /nfs/dbraw/zinc/09/75/52/650097552.db2.gz DPSDZONNTKIIFR-KRWDZBQOSA-N 0 3 317.408 2.457 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000836488371 650097704 /nfs/dbraw/zinc/09/77/04/650097704.db2.gz LFQOSXNAQVZXPN-AWEZNQCLSA-N 0 3 317.408 2.410 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C#C)c1ccc(Cl)cc1 ZINC000836463872 650094493 /nfs/dbraw/zinc/09/44/93/650094493.db2.gz JVQGTWMIPHOZPH-MRXNPFEDSA-N 0 3 317.820 2.269 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)[C@@H](C)C1 ZINC000945808373 633006108 /nfs/dbraw/zinc/00/61/08/633006108.db2.gz OQSPFJGZMSGUOL-MAUKXSAKSA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000974577858 633156347 /nfs/dbraw/zinc/15/63/47/633156347.db2.gz OFHDHZKPFOBONT-OAHLLOKOSA-N 0 3 307.482 2.264 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCF)CC1(C)C ZINC000974588214 633160195 /nfs/dbraw/zinc/16/01/95/633160195.db2.gz OPSSEIDREFCRFB-QLFBSQMISA-N 0 3 312.429 2.154 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000996135824 633191244 /nfs/dbraw/zinc/19/12/44/633191244.db2.gz MYWDXWHARDFVFY-OAHLLOKOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cnccc2C)C(C)(C)C1 ZINC000974698097 633247853 /nfs/dbraw/zinc/24/78/53/633247853.db2.gz HMQANUKYDBJFDA-INIZCTEOSA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C(C)(C)C1 ZINC000974756057 633291458 /nfs/dbraw/zinc/29/14/58/633291458.db2.gz YMMNQBKUDDJUAI-MRXNPFEDSA-N 0 3 316.449 2.163 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000974805164 633307974 /nfs/dbraw/zinc/30/79/74/633307974.db2.gz HDTUAJLOKGEOEV-MRXNPFEDSA-N 0 3 312.417 2.118 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C(C)(C)C1 ZINC000974896289 633360974 /nfs/dbraw/zinc/36/09/74/633360974.db2.gz SUTAGDGJWUSIFV-ZDUSSCGKSA-N 0 3 303.406 2.030 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3ccccc3nn2)C(C)(C)C1 ZINC000974897150 633363050 /nfs/dbraw/zinc/36/30/50/633363050.db2.gz RIHBPGFSMKBDKH-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3c[nH]nc32)C(C)(C)C1 ZINC000974903100 633367205 /nfs/dbraw/zinc/36/72/05/633367205.db2.gz PKGOXROPVYCWLJ-OAHLLOKOSA-N 0 3 310.401 2.026 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)COC)CC2(C)C)cc1 ZINC000974928054 633372128 /nfs/dbraw/zinc/37/21/28/633372128.db2.gz BAYYYVZNTDVSKX-RHSMWYFYSA-N 0 3 314.429 2.143 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000974959260 633382772 /nfs/dbraw/zinc/38/27/72/633382772.db2.gz DDGSMFCHHKBKFR-MRXNPFEDSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]c(=O)cc2C)C(C)(C)C1 ZINC000975039042 633393470 /nfs/dbraw/zinc/39/34/70/633393470.db2.gz JLWJFXSYCRYDTD-AWEZNQCLSA-N 0 3 303.406 2.112 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cn(C)nc2Cl)C(C)(C)C1 ZINC000975043351 633395858 /nfs/dbraw/zinc/39/58/58/633395858.db2.gz VHHLFUBKHMKPDH-CYBMUJFWSA-N 0 3 324.856 2.019 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CCN1C ZINC000925342135 633626484 /nfs/dbraw/zinc/62/64/84/633626484.db2.gz LEKJYLJEUUJVEN-WFASDCNBSA-N 0 3 300.406 2.185 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCC(OC)CC2)CC1 ZINC000997282657 633695416 /nfs/dbraw/zinc/69/54/16/633695416.db2.gz FSJPUUMPSCSRRQ-ODIFPOPNSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2coc(CC3CC3)n2)CC1 ZINC000997370193 633722360 /nfs/dbraw/zinc/72/23/60/633722360.db2.gz MNPXMBRLBBTYIQ-CYBMUJFWSA-N 0 3 315.417 2.091 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2csc(Cl)n2)CC1 ZINC000997384214 633751521 /nfs/dbraw/zinc/75/15/21/633751521.db2.gz QPEMPYLWUXXARY-SNVBAGLBSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3c(o2)CCCC3)C1 ZINC001027438186 633789466 /nfs/dbraw/zinc/78/94/66/633789466.db2.gz ICXQWDNTTCJPNU-HNNXBMFYSA-N 0 3 300.402 2.328 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)C[C@H]1C ZINC000947929238 633877728 /nfs/dbraw/zinc/87/77/28/633877728.db2.gz KIZOEPLWJCBBFH-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000997684957 633932189 /nfs/dbraw/zinc/93/21/89/633932189.db2.gz RMVXPQHFOUIMAB-LEUOFYLZSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccncc2Cl)CC1 ZINC000997773673 633968659 /nfs/dbraw/zinc/96/86/59/633968659.db2.gz WDQGZVHETQMAOZ-LBPRGKRZSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C(C)(C)C1 ZINC000977454982 633992864 /nfs/dbraw/zinc/99/28/64/633992864.db2.gz QQCUSANVLLCKIL-CYBMUJFWSA-N 0 3 324.856 2.266 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nc(C3CC3)oc2C)CC1 ZINC000997813282 633996107 /nfs/dbraw/zinc/99/61/07/633996107.db2.gz CQHRYMXPSVDZIG-LBPRGKRZSA-N 0 3 315.417 2.324 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2oc(CC)nc2C)CC1 ZINC000997821901 634000030 /nfs/dbraw/zinc/00/00/30/634000030.db2.gz FSFARIOALCQSSD-ZDUSSCGKSA-N 0 3 317.433 2.399 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000977502169 634015883 /nfs/dbraw/zinc/01/58/83/634015883.db2.gz TYPCMFYLLZQDCV-MRXNPFEDSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2OC)C(C)(C)C1 ZINC000977529046 634028192 /nfs/dbraw/zinc/02/81/92/634028192.db2.gz ZQASVUQTGBIOQE-INIZCTEOSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)C(C)(C)C1 ZINC000977572138 634043025 /nfs/dbraw/zinc/04/30/25/634043025.db2.gz JHYPYPHOCWHVLI-MRXNPFEDSA-N 0 3 301.434 2.105 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)no2)CC1 ZINC000997914176 634052106 /nfs/dbraw/zinc/05/21/06/634052106.db2.gz LFQHAFDZXXJVTH-HNNXBMFYSA-N 0 3 303.406 2.323 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2csc(COC)n2)C(C)(C)C1 ZINC000977645609 634080292 /nfs/dbraw/zinc/08/02/92/634080292.db2.gz KDELBSREAKTEEY-ZDUSSCGKSA-N 0 3 323.462 2.306 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cn(C)nc2C)CC1 ZINC000997964830 634082822 /nfs/dbraw/zinc/08/28/22/634082822.db2.gz IMHGEEQGUZYUTH-MRXNPFEDSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ncccc2OCCC)C1 ZINC001027556509 634119347 /nfs/dbraw/zinc/11/93/47/634119347.db2.gz FAECDZLYDFJPEH-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccnc2OC)CC1 ZINC000998110069 634142495 /nfs/dbraw/zinc/14/24/95/634142495.db2.gz LTJBFJILEQUDDZ-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnoc2CC)CC1 ZINC000998136134 634151971 /nfs/dbraw/zinc/15/19/71/634151971.db2.gz PZWFJEXMWHNOEK-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)nn2CC)CC1 ZINC000998145153 634153803 /nfs/dbraw/zinc/15/38/03/634153803.db2.gz WCCNCDMFNJKZGS-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000998164105 634158688 /nfs/dbraw/zinc/15/86/88/634158688.db2.gz GTLIAACYOVSABX-HNNXBMFYSA-N 0 3 314.433 2.237 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000998202843 634167212 /nfs/dbraw/zinc/16/72/12/634167212.db2.gz IZNALZAENWHNBQ-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)C(C)(F)F)CC[C@H]1C(F)(F)F ZINC000998214338 634170155 /nfs/dbraw/zinc/17/01/55/634170155.db2.gz FIPVARMAAYMXLC-BDAKNGLRSA-N 0 3 300.271 2.197 20 30 DEEDHN C=C(C)CN[C@H]1CN(C(=O)C(F)F)CC[C@H]1C(F)(F)F ZINC000998221407 634172865 /nfs/dbraw/zinc/17/28/65/634172865.db2.gz WZMZUPWWESLFEJ-BDAKNGLRSA-N 0 3 300.271 2.197 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)c2ccccn2)C1 ZINC000998358054 634230378 /nfs/dbraw/zinc/23/03/78/634230378.db2.gz ADNKIDCVKGBZRQ-UHFFFAOYSA-N 0 3 324.222 2.183 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)[C@@H]2C1 ZINC000978167907 634232363 /nfs/dbraw/zinc/23/23/63/634232363.db2.gz RGNIMLQSMTUYRL-FQBWVUSXSA-N 0 3 322.452 2.353 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC001027593565 634235943 /nfs/dbraw/zinc/23/59/43/634235943.db2.gz MLXJSXRDKGXAMJ-INIZCTEOSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3ccccc3)n2)C1 ZINC001027597190 634251878 /nfs/dbraw/zinc/25/18/78/634251878.db2.gz FLSWOVSDNKIDCZ-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC001027614945 634292472 /nfs/dbraw/zinc/29/24/72/634292472.db2.gz JDUZRFIDCPGAQK-RDJZCZTQSA-N 0 3 312.413 2.109 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC000978440635 634316098 /nfs/dbraw/zinc/31/60/98/634316098.db2.gz UEXURHFJYLBVQF-ZSOGYDGISA-N 0 3 306.768 2.020 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4cccnc43)[C@@H]2C1 ZINC000978476221 634331904 /nfs/dbraw/zinc/33/19/04/634331904.db2.gz ZWNPHZUBKLUFAZ-NNZMDNLPSA-N 0 3 319.408 2.166 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001027632048 634345980 /nfs/dbraw/zinc/34/59/80/634345980.db2.gz HEKUFCZJRDNPAA-MSOLQXFVSA-N 0 3 313.445 2.377 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001027638524 634365556 /nfs/dbraw/zinc/36/55/56/634365556.db2.gz VNVXZHLBHVTLMT-CVEARBPZSA-N 0 3 324.428 2.153 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001027882383 634855412 /nfs/dbraw/zinc/85/54/12/634855412.db2.gz NEJKSLPFEMBAML-CQSZACIVSA-N 0 3 303.406 2.324 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001027882754 634855740 /nfs/dbraw/zinc/85/57/40/634855740.db2.gz UZBLULHYQOVGTA-CHWSQXEVSA-N 0 3 321.446 2.068 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001027883746 634855878 /nfs/dbraw/zinc/85/58/78/634855878.db2.gz SINNBNKINKKQCP-CQSZACIVSA-N 0 3 318.421 2.034 20 30 DEEDHN C=C(C)CCN1CCC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001027887975 634883485 /nfs/dbraw/zinc/88/34/85/634883485.db2.gz BTFOCIRRTTZAIH-GFCCVEGCSA-N 0 3 309.435 2.312 20 30 DEEDHN CCC(=O)N1C[C@H](CNCc2cc(F)ccc2C#N)C[C@H]1C ZINC000980253385 634916829 /nfs/dbraw/zinc/91/68/29/634916829.db2.gz AOQLIAZIEPTLLU-OLZOCXBDSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(OC)ccc2OC)C1 ZINC000980361759 634968010 /nfs/dbraw/zinc/96/80/10/634968010.db2.gz GCSMMTKBQFLFMU-CYBMUJFWSA-N 0 3 304.390 2.036 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC000980444874 635001651 /nfs/dbraw/zinc/00/16/51/635001651.db2.gz CTYHWGKWSSRVSR-GFCCVEGCSA-N 0 3 300.362 2.002 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001027938856 635014948 /nfs/dbraw/zinc/01/49/48/635014948.db2.gz BMRBUGGGWOPPJN-NVXWUHKLSA-N 0 3 313.445 2.377 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980521651 635034217 /nfs/dbraw/zinc/03/42/17/635034217.db2.gz OFXQHOYAWCVPDC-AWEZNQCLSA-N 0 3 315.377 2.181 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC000980574627 635049062 /nfs/dbraw/zinc/04/90/62/635049062.db2.gz VYORTJJGRDUZAT-JKSUJKDBSA-N 0 3 300.402 2.017 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001027983939 635163156 /nfs/dbraw/zinc/16/31/56/635163156.db2.gz GNTCCHZDNVROSA-HOCLYGCPSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CN1CC=C(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001000534232 635223671 /nfs/dbraw/zinc/22/36/71/635223671.db2.gz JAEHNQFKVZRGFK-UHFFFAOYSA-N 0 3 308.813 2.141 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001028005865 635224681 /nfs/dbraw/zinc/22/46/81/635224681.db2.gz CTVQPLAWBCIPIS-CYBMUJFWSA-N 0 3 304.365 2.052 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001000687321 635266356 /nfs/dbraw/zinc/26/63/56/635266356.db2.gz YJPICDMQTAMKPR-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn(-c3ccccc3)cn2)CC1 ZINC001000717412 635286744 /nfs/dbraw/zinc/28/67/44/635286744.db2.gz NNNUHFQGPYYYMH-UHFFFAOYSA-N 0 3 322.412 2.420 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccc3[nH]ccc32)C[C@@H]1C ZINC000947726235 635293045 /nfs/dbraw/zinc/29/30/45/635293045.db2.gz LFEPPDXJWLBQHG-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000981081035 635299357 /nfs/dbraw/zinc/29/93/57/635299357.db2.gz VYTXLZYRMHSLGD-HZPDHXFCSA-N 0 3 323.400 2.112 20 30 DEEDHN C=CCN1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC000981197804 635357222 /nfs/dbraw/zinc/35/72/22/635357222.db2.gz PIUCNIBMPVKMID-HNNXBMFYSA-N 0 3 304.438 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccncc1OC(C)C ZINC001028047536 635363467 /nfs/dbraw/zinc/36/34/67/635363467.db2.gz ZPYJZOWTIGFXOF-OAHLLOKOSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000921815422 635391458 /nfs/dbraw/zinc/39/14/58/635391458.db2.gz HUYDEDZJNQAKNX-GDBMZVCRSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(-c3ccncc3)on2)CC1 ZINC001001104714 635400526 /nfs/dbraw/zinc/40/05/26/635400526.db2.gz FBQRRTODBPQNLL-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cncc(OC(C)C)c1 ZINC001028071229 635406867 /nfs/dbraw/zinc/40/68/67/635406867.db2.gz AIINFYWNMPKAET-MRXNPFEDSA-N 0 3 315.417 2.086 20 30 DEEDHN N#Cc1ccc(CN2CCC(CNC(=O)c3ccon3)CC2)cc1 ZINC001001227976 635431179 /nfs/dbraw/zinc/43/11/79/635431179.db2.gz YDSZBFOJPOZOKS-UHFFFAOYSA-N 0 3 324.384 2.188 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@H](NCc3nccn3C)C2)C1 ZINC000981320637 635433841 /nfs/dbraw/zinc/43/38/41/635433841.db2.gz WTAQXGFSBNYIPS-GJZGRUSLSA-N 0 3 316.449 2.293 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(CC)cn2)C[C@@H]1C ZINC000947731328 635486739 /nfs/dbraw/zinc/48/67/39/635486739.db2.gz LVAALNFRFHYWMQ-MAUKXSAKSA-N 0 3 313.445 2.179 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cn2)C[C@@H]1C ZINC000947731330 635487139 /nfs/dbraw/zinc/48/71/39/635487139.db2.gz LVAALNFRFHYWMQ-YJBOKZPZSA-N 0 3 313.445 2.179 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001001417954 635492933 /nfs/dbraw/zinc/49/29/33/635492933.db2.gz JRPCDNFUNKCVIQ-ROUUACIJSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC000981480827 635493543 /nfs/dbraw/zinc/49/35/43/635493543.db2.gz QTMYXOGPUWAAPJ-UHFFFAOYSA-N 0 3 302.422 2.071 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2nccc3cccnc32)CC1 ZINC001001491692 635510357 /nfs/dbraw/zinc/51/03/57/635510357.db2.gz HZUSELALZCFHGV-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001001501110 635512892 /nfs/dbraw/zinc/51/28/92/635512892.db2.gz OHGFQCGEQKMBTE-ZIAGYGMSSA-N 0 3 322.840 2.094 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2ccnc3ccccc32)CC1 ZINC000981574213 635531583 /nfs/dbraw/zinc/53/15/83/635531583.db2.gz OOGBXWMPKQUCEN-UHFFFAOYSA-N 0 3 307.397 2.406 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000981590658 635544231 /nfs/dbraw/zinc/54/42/31/635544231.db2.gz BYHWAYCVUQFFBO-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2nncc3ccccc32)CC1 ZINC000981598038 635547830 /nfs/dbraw/zinc/54/78/30/635547830.db2.gz KELAVUZLRJCVET-UHFFFAOYSA-N 0 3 310.401 2.354 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2nc(C)n3ccccc23)CC1 ZINC000981615276 635556161 /nfs/dbraw/zinc/55/61/61/635556161.db2.gz LMOWEQOKVYCSSE-UHFFFAOYSA-N 0 3 312.417 2.367 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccn(C)c2CC)CC1 ZINC001001826141 635556882 /nfs/dbraw/zinc/55/68/82/635556882.db2.gz QAUXPESTBVUJJW-UHFFFAOYSA-N 0 3 301.434 2.053 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3c(C)noc3C)C2)C1 ZINC000981616176 635557645 /nfs/dbraw/zinc/55/76/45/635557645.db2.gz CRAMBFUEJBWUIS-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001001865765 635565279 /nfs/dbraw/zinc/56/52/79/635565279.db2.gz CPJLVZDRXVEMHE-HZPDHXFCSA-N 0 3 300.402 2.235 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2sc(CC)nc2C)CC1 ZINC001001933949 635583373 /nfs/dbraw/zinc/58/33/73/635583373.db2.gz JVMXSBJFXYOLBZ-UHFFFAOYSA-N 0 3 319.474 2.479 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC001001969871 635588508 /nfs/dbraw/zinc/58/85/08/635588508.db2.gz ICHMDXDJGBJJBG-IRXDYDNUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c(F)ccc(OC)c2F)CC1 ZINC001002069314 635612144 /nfs/dbraw/zinc/61/21/44/635612144.db2.gz KHIRSGMKHUWCCI-UHFFFAOYSA-N 0 3 322.355 2.048 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H](c2ccncc2)C(C)C)CC1 ZINC000981824633 635671491 /nfs/dbraw/zinc/67/14/91/635671491.db2.gz PRLZACVYEBNVIT-SFHVURJKSA-N 0 3 313.445 2.379 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ncc(F)cc3F)C2)C1 ZINC000981849993 635690414 /nfs/dbraw/zinc/69/04/14/635690414.db2.gz JPHBMARJCNDCGR-UHFFFAOYSA-N 0 3 307.344 2.084 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@H](OC)C3)C2)C1 ZINC000981971132 635780971 /nfs/dbraw/zinc/78/09/71/635780971.db2.gz DMJCOCAHGSRQCI-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001028184583 635787345 /nfs/dbraw/zinc/78/73/45/635787345.db2.gz MOBVVVCPVHWJCH-HNNXBMFYSA-N 0 3 300.406 2.124 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028190216 635797925 /nfs/dbraw/zinc/79/79/25/635797925.db2.gz PIJKHOXJQKTTPK-CQSZACIVSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C(C)C)n[nH]3)C2)C1 ZINC000982030240 635827621 /nfs/dbraw/zinc/82/76/21/635827621.db2.gz BGHMETPAGUHXIB-UHFFFAOYSA-N 0 3 302.422 2.257 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2OC)C[C@@H]1C ZINC000947953105 635856867 /nfs/dbraw/zinc/85/68/67/635856867.db2.gz KNKZZTBTDIJPRR-STQMWFEESA-N 0 3 306.431 2.363 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCN(CCCF)CC2)cc1 ZINC000982111657 635873967 /nfs/dbraw/zinc/87/39/67/635873967.db2.gz XKYCXHJBZMKZCI-UHFFFAOYSA-N 0 3 318.392 2.206 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)Cc3cccs3)C[C@]2(C)C1 ZINC000982192397 635899987 /nfs/dbraw/zinc/89/99/87/635899987.db2.gz YJFJIAOZZWCELW-CALCHBBNSA-N 0 3 302.443 2.094 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3c(C)noc3C)C[C@]2(C)C1 ZINC000982204233 635905550 /nfs/dbraw/zinc/90/55/50/635905550.db2.gz YSEMEUVDBWJILE-CALCHBBNSA-N 0 3 303.406 2.261 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnoc2-c2ccco2)CC1 ZINC001003185388 635920450 /nfs/dbraw/zinc/92/04/50/635920450.db2.gz QTMRZHAUAWNEPB-UHFFFAOYSA-N 0 3 301.346 2.315 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnn(CCC)c1C ZINC001028224137 635920864 /nfs/dbraw/zinc/92/08/64/635920864.db2.gz XTKHPAWKBUENDX-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H](C)c2ccccc2F)CC1 ZINC000982266135 635931994 /nfs/dbraw/zinc/93/19/94/635931994.db2.gz VKSMVXXGRZPYOT-OAHLLOKOSA-N 0 3 302.393 2.487 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001028232873 635933535 /nfs/dbraw/zinc/93/35/35/635933535.db2.gz SAABCKPPTVHRCN-AWEZNQCLSA-N 0 3 301.390 2.078 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001028235113 635936626 /nfs/dbraw/zinc/93/66/26/635936626.db2.gz QHDVSVXBPKEZJD-CQSZACIVSA-N 0 3 304.438 2.314 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3coc(OCC)n3)C[C@]2(C)C1 ZINC000982344199 635986502 /nfs/dbraw/zinc/98/65/02/635986502.db2.gz VUJVZZOMCXPUFY-CALCHBBNSA-N 0 3 319.405 2.043 20 30 DEEDHN C=CCC1(NCc2nc(Br)c[nH]2)CCOCC1 ZINC000922245168 636029990 /nfs/dbraw/zinc/02/99/90/636029990.db2.gz UKENZKSZZGGVKD-UHFFFAOYSA-N 0 3 300.200 2.387 20 30 DEEDHN C=C(C)CCN1CCC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001028350483 636142809 /nfs/dbraw/zinc/14/28/09/636142809.db2.gz IOBHGCSVNYOAQL-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccnc1OC(C)C ZINC001028356341 636146030 /nfs/dbraw/zinc/14/60/30/636146030.db2.gz GAPHOQPPQOZCIC-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cc[nH]c3C3CC3)C[C@]2(C)C1 ZINC000982491165 636149913 /nfs/dbraw/zinc/14/99/13/636149913.db2.gz FSFHSBRAODSGLL-KDURUIRLSA-N 0 3 311.429 2.309 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3C)CC[C@@H]2C1 ZINC000946586583 636274103 /nfs/dbraw/zinc/27/41/03/636274103.db2.gz NPLGGAMLRRBQGM-OKILXGFUSA-N 0 3 322.840 2.255 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(C(F)F)c2F)C1 ZINC001028545226 636334062 /nfs/dbraw/zinc/33/40/62/636334062.db2.gz PAYVESPRDIHQCY-NSHDSACASA-N 0 3 310.319 2.448 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2snc(Cl)c2Cl)C1 ZINC001028567234 636344359 /nfs/dbraw/zinc/34/43/59/636344359.db2.gz WSSDDAYDEUHYSH-MRVPVSSYSA-N 0 3 318.229 2.135 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cnn4ccccc34)C[C@]2(C)C1 ZINC000982652470 636355438 /nfs/dbraw/zinc/35/54/38/636355438.db2.gz UXVRHBWLNABULH-KDURUIRLSA-N 0 3 324.428 2.304 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001028579255 636369667 /nfs/dbraw/zinc/36/96/67/636369667.db2.gz BLXKCEDLJNIXBS-JTQLQIEISA-N 0 3 314.216 2.017 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001028589985 636408278 /nfs/dbraw/zinc/40/82/78/636408278.db2.gz STAJSDKGLSJSKS-NSHDSACASA-N 0 3 320.824 2.016 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)Cc3ccccc3C)C[C@]2(C)C1 ZINC000982792801 636413382 /nfs/dbraw/zinc/41/33/82/636413382.db2.gz MCEVFLSQDXFLPC-BGYRXZFFSA-N 0 3 310.441 2.341 20 30 DEEDHN N#CCCCCNCc1sc(N2CCOCC2)nc1Cl ZINC000894237772 636519198 /nfs/dbraw/zinc/51/91/98/636519198.db2.gz NQPVINSNNKEDPT-UHFFFAOYSA-N 0 3 314.842 2.417 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2csc(C(F)(F)F)c2)C1 ZINC001028657231 636562920 /nfs/dbraw/zinc/56/29/20/636562920.db2.gz XJUSJPLKNJYGPO-JTQLQIEISA-N 0 3 316.348 2.452 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001028696854 636639115 /nfs/dbraw/zinc/63/91/15/636639115.db2.gz HOJQHRJHFFOYRW-CABCVRRESA-N 0 3 312.413 2.085 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001028721306 636666049 /nfs/dbraw/zinc/66/60/49/636666049.db2.gz SMMPMUNLPBJMFE-JTQLQIEISA-N 0 3 314.216 2.397 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(-c3ccco3)on2)C1 ZINC001028723460 636669663 /nfs/dbraw/zinc/66/96/63/636669663.db2.gz ODYUILKTTXAIGO-CYBMUJFWSA-N 0 3 313.357 2.010 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCN1C ZINC000922923166 636856865 /nfs/dbraw/zinc/85/68/65/636856865.db2.gz BDPGNBLUGHMOJK-OAUYIBNBSA-N 0 3 312.417 2.327 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001028961306 636896717 /nfs/dbraw/zinc/89/67/17/636896717.db2.gz VTUNBIKYIQFVIQ-BLLLJJGKSA-N 0 3 302.805 2.051 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001028961014 636898047 /nfs/dbraw/zinc/89/80/47/636898047.db2.gz PIHDVISEEBEOFM-DYVFJYSZSA-N 0 3 316.832 2.441 20 30 DEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1C[C@H](CO)C1 ZINC000923007011 636906524 /nfs/dbraw/zinc/90/65/24/636906524.db2.gz HHWKYKNBGTXOFO-YEORSEQZSA-N 0 3 324.218 2.322 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001029017646 636956759 /nfs/dbraw/zinc/95/67/59/636956759.db2.gz SCRUTAZMEOVRGK-HNNXBMFYSA-N 0 3 307.397 2.367 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)Cc2ccoc2)C1 ZINC000983532826 636989385 /nfs/dbraw/zinc/98/93/85/636989385.db2.gz IDKGZMSUMLNTEM-RZDIXWSQSA-N 0 3 323.396 2.378 20 30 DEEDHN Cc1csc(CN[C@@H](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001029068294 637031864 /nfs/dbraw/zinc/03/18/64/637031864.db2.gz DKKQQUDBSXLABG-AAEUAGOBSA-N 0 3 320.462 2.328 20 30 DEEDHN C=CCCCCNCc1c(I)cnn1C ZINC000894481027 637064172 /nfs/dbraw/zinc/06/41/72/637064172.db2.gz SLGYHNPHOSCUJE-UHFFFAOYSA-N 0 3 319.190 2.471 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000923316341 637107447 /nfs/dbraw/zinc/10/74/47/637107447.db2.gz OMEZEEXXADKJCI-CZTDCBLESA-N 0 3 301.434 2.402 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3[nH]cnc3C)CC[C@@H]2C1 ZINC000946911318 637224207 /nfs/dbraw/zinc/22/42/07/637224207.db2.gz NUOXUJDTPLMYAS-OKILXGFUSA-N 0 3 322.840 2.255 20 30 DEEDHN Cc1ncc(CN[C@H](C)C2CCN(C(=O)C#CC3CC3)CC2)o1 ZINC001029097906 637227067 /nfs/dbraw/zinc/22/70/67/637227067.db2.gz KPHOZRPETLFJPK-CYBMUJFWSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000923556383 637247426 /nfs/dbraw/zinc/24/74/26/637247426.db2.gz WPHOKJZXNIKCHV-KRWDZBQOSA-N 0 3 324.428 2.118 20 30 DEEDHN C=CCC1(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000838303031 637521587 /nfs/dbraw/zinc/52/15/87/637521587.db2.gz RSHVMAYDIVGMDM-HZPDHXFCSA-N 0 3 321.465 2.428 20 30 DEEDHN C=CCC1(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000838303032 637521731 /nfs/dbraw/zinc/52/17/31/637521731.db2.gz RSHVMAYDIVGMDM-JKSUJKDBSA-N 0 3 321.465 2.428 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)C[C@@H]1C ZINC000947802031 637622990 /nfs/dbraw/zinc/62/29/90/637622990.db2.gz SLIYLANBAHNKGZ-HOCLYGCPSA-N 0 3 300.402 2.220 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838785986 637659279 /nfs/dbraw/zinc/65/92/79/637659279.db2.gz AUBGWCSBRANYCN-RFQIPJPRSA-N 0 3 304.390 2.007 20 30 DEEDHN N#CC(C(=O)COCc1cccc(Cl)c1)C(=O)N1CCCC1 ZINC000838787894 637660507 /nfs/dbraw/zinc/66/05/07/637660507.db2.gz PUDGRFPYSZMFIN-AWEZNQCLSA-N 0 3 320.776 2.188 20 30 DEEDHN N#CC(C(=O)COCc1cccc(Cl)c1)C(=O)N1CCCC1 ZINC000838787908 637660614 /nfs/dbraw/zinc/66/06/14/637660614.db2.gz PUDGRFPYSZMFIN-CQSZACIVSA-N 0 3 320.776 2.188 20 30 DEEDHN O=C1[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCCN1[O-] ZINC000895163279 637701248 /nfs/dbraw/zinc/70/12/48/637701248.db2.gz SUMLEVQSZLSBDO-PXCJXSSVSA-N 0 3 304.390 2.388 20 30 DEEDHN C[C@@H](C#N)OCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000838997454 637734107 /nfs/dbraw/zinc/73/41/07/637734107.db2.gz QEXVHMJAHZINKU-HNNXBMFYSA-N 0 3 310.401 2.285 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC2(CC1)OCCc1ccccc12 ZINC000839037539 637746726 /nfs/dbraw/zinc/74/67/26/637746726.db2.gz CWLCPZMRYPOUTF-HNNXBMFYSA-N 0 3 300.402 2.479 20 30 DEEDHN N#Cc1ccc(CNCCN2C[C@H]3CCCCN3C2=O)cc1F ZINC000895346408 637951947 /nfs/dbraw/zinc/95/19/47/637951947.db2.gz RZRRGOZYCXGDDF-OAHLLOKOSA-N 0 3 316.380 2.077 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1ccc(F)cc1F ZINC000743449570 638147426 /nfs/dbraw/zinc/14/74/26/638147426.db2.gz RJFBGYNXLKGHSY-GFCCVEGCSA-N 0 3 322.311 2.135 20 30 DEEDHN C#CCC1(NCc2cc(C(=O)OC)c(CC)o2)CCOCC1 ZINC000895894941 638249501 /nfs/dbraw/zinc/24/95/01/638249501.db2.gz SAMZMCQTUNQRPV-UHFFFAOYSA-N 0 3 305.374 2.291 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000745822466 638292259 /nfs/dbraw/zinc/29/22/59/638292259.db2.gz QZGZCJUDLRKGJJ-LJQANCHMSA-N 0 3 323.440 2.319 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)CCN(C)C)c1 ZINC000747583195 638452307 /nfs/dbraw/zinc/45/23/07/638452307.db2.gz IQHWRQMPMVJMJG-OAHLLOKOSA-N 0 3 318.421 2.071 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@@](C)(O)COC)c([O-])c1 ZINC000840707943 639041662 /nfs/dbraw/zinc/04/16/62/639041662.db2.gz SZRONWFQACBSIL-YPOUMIDOSA-N 0 3 308.422 2.445 20 30 DEEDHN C[C@H]1CN(C)CC1N=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000752163788 639160278 /nfs/dbraw/zinc/16/02/78/639160278.db2.gz DKQXSQNBRMNFAT-LBPRGKRZSA-N 0 3 321.388 2.165 20 30 DEEDHN C#CCOc1ccc([C@H](C)NC[C@H]2CCCCS2(=O)=O)cc1 ZINC000753732084 639335147 /nfs/dbraw/zinc/33/51/47/639335147.db2.gz POWYQKKRNDWISH-WMLDXEAASA-N 0 3 321.442 2.317 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2C)C[C@@H]1C ZINC000947813920 639401012 /nfs/dbraw/zinc/40/10/12/639401012.db2.gz FLGNKKAUFMFZRO-WFASDCNBSA-N 0 3 304.438 2.289 20 30 DEEDHN CC(C)N1CC(N=Nc2nc(-c3ccncc3)no2)[C@H](C)C1 ZINC000754258469 639407334 /nfs/dbraw/zinc/40/73/34/639407334.db2.gz JPXFMSSEXSOBBI-LLVKDONJSA-N 0 3 300.366 2.260 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN(C)Cc2cn(C)nc2C)C1 ZINC001029800973 639488798 /nfs/dbraw/zinc/48/87/98/639488798.db2.gz DFHHBQRYEZLJAP-OAHLLOKOSA-N 0 3 318.465 2.221 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1ccccc1OCC)[C@@H]1CCCO1 ZINC000839564069 639755501 /nfs/dbraw/zinc/75/55/01/639755501.db2.gz NTRIYWNSFKTXGX-HOCLYGCPSA-N 0 3 316.401 2.184 20 30 DEEDHN 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ZINC000788718114 643639071 /nfs/dbraw/zinc/63/90/71/643639071.db2.gz JJDBSHQXAJZDMI-UHFFFAOYSA-N 0 3 323.824 2.445 20 30 DEEDHN CN(CC(=O)C(C#N)c1nc(C2CC2)cs1)C(=O)C1CC1 ZINC000842941577 650855394 /nfs/dbraw/zinc/85/53/94/650855394.db2.gz RGRHFURPLJRWJV-LLVKDONJSA-N 0 3 303.387 2.065 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2csc3cncn32)CC1 ZINC000347517024 643665491 /nfs/dbraw/zinc/66/54/91/643665491.db2.gz LDTOIBDLGDPQBK-UHFFFAOYSA-N 0 3 304.419 2.166 20 30 DEEDHN C#CCOc1ccc(CNC[C@](O)(CC)C(F)(F)F)cc1 ZINC000905282476 643856776 /nfs/dbraw/zinc/85/67/76/643856776.db2.gz ZYGAEVISBLUURL-CQSZACIVSA-N 0 3 301.308 2.492 20 30 DEEDHN CSc1ccc(CNC[C@H](O)C[C@](C)(O)C2CC2)cc1C#N ZINC000905465161 643922136 /nfs/dbraw/zinc/92/21/36/643922136.db2.gz MTFJFXOJVWXZEZ-WBVHZDCISA-N 0 3 320.458 2.282 20 30 DEEDHN CC(C)[C@H](NC[C@H](O)c1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000843090243 650891277 /nfs/dbraw/zinc/89/12/77/650891277.db2.gz VOGQOSVOSODZOA-IHRRRGAJSA-N 0 3 316.323 2.129 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000907608327 644585610 /nfs/dbraw/zinc/58/56/10/644585610.db2.gz FZLZFDBXUQNHRD-MDZDMXLPSA-N 0 3 300.402 2.334 20 30 DEEDHN C#CC[C@H]1CCCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000843269773 650939540 /nfs/dbraw/zinc/93/95/40/650939540.db2.gz QYBVWIPULUEEPD-RDJZCZTQSA-N 0 3 310.397 2.049 20 30 DEEDHN N#Cc1ncn(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])n1 ZINC000796497651 644745320 /nfs/dbraw/zinc/74/53/20/644745320.db2.gz NCOXLOTYNMEMRY-UHFFFAOYSA-N 0 3 319.368 2.312 20 30 DEEDHN CC(C)(NCc1ccc(OCC#N)cc1)C(=O)N1CCCC1 ZINC000796584403 644759192 /nfs/dbraw/zinc/75/91/92/644759192.db2.gz MNUWBMDQMZBWHX-UHFFFAOYSA-N 0 3 301.390 2.080 20 30 DEEDHN Cc1cc(C(=O)Nc2ccnn2CCN(C)C)cc(C)c1C#N ZINC000908443222 644862887 /nfs/dbraw/zinc/86/28/87/644862887.db2.gz XBFGSWHBABDTCD-UHFFFAOYSA-N 0 3 311.389 2.186 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000911990551 645901717 /nfs/dbraw/zinc/90/17/17/645901717.db2.gz VCCPHMDQORMEBW-OAHLLOKOSA-N 0 3 318.417 2.272 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cn1 ZINC000807740987 645981098 /nfs/dbraw/zinc/98/10/98/645981098.db2.gz XRSFZYUNUWCEHR-DNVCBOLYSA-N 0 3 319.408 2.456 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cnn(C)c3Cl)CCC[C@@H]12 ZINC000991390662 646121713 /nfs/dbraw/zinc/12/17/13/646121713.db2.gz UYBXDUJVIHKAEQ-CZUORRHYSA-N 0 3 322.840 2.376 20 30 DEEDHN C#CCCOc1ccc(CN(C)[C@H](CO)COC(C)C)cc1 ZINC000809768245 646280942 /nfs/dbraw/zinc/28/09/42/646280942.db2.gz GCSNDOSIUZHAAJ-QGZVFWFLSA-N 0 3 305.418 2.306 20 30 DEEDHN C#CCN(CCOCC(=O)OCC)[C@@H]1CCc2ccccc21 ZINC000809934958 646300925 /nfs/dbraw/zinc/30/09/25/646300925.db2.gz MOOPDQQHRIIWNE-QGZVFWFLSA-N 0 3 301.386 2.189 20 30 DEEDHN CCN(Cn1c(C)nnc1-c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000812297787 646627972 /nfs/dbraw/zinc/62/79/72/646627972.db2.gz BXJRQURDDJGOFW-INIZCTEOSA-N 0 3 311.389 2.194 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H]3CC(C)(C)CO3)CCC[C@@H]12 ZINC000991812357 646636909 /nfs/dbraw/zinc/63/69/09/646636909.db2.gz CAWIXPMOFPIVKO-GPMSIDNRSA-N 0 3 318.461 2.328 20 30 DEEDHN COC(=O)CSCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171698868 646710212 /nfs/dbraw/zinc/71/02/12/646710212.db2.gz UNMPTQAOWMPJDY-SNVBAGLBSA-N 0 3 318.354 2.300 20 30 DEEDHN C#CCCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000172928913 646754817 /nfs/dbraw/zinc/75/48/17/646754817.db2.gz FKHWHPZDWSVHAW-UHFFFAOYSA-N 0 3 313.445 2.118 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C4CC4)on3)CCC[C@@H]12 ZINC000992032244 646834963 /nfs/dbraw/zinc/83/49/63/646834963.db2.gz PKJDIURHEFQFRS-NVXWUHKLSA-N 0 3 301.390 2.465 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC(OC)CC3)CCC[C@@H]12 ZINC000992153659 646875877 /nfs/dbraw/zinc/87/58/77/646875877.db2.gz NDIUASZWOPKCNT-IOTAOYMUSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnn(CCC)c3)CCC[C@H]12 ZINC000992276088 646924220 /nfs/dbraw/zinc/92/42/20/646924220.db2.gz VDSDWZAFTWPSMF-DOTOQJQBSA-N 0 3 302.422 2.206 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)nc3OC)CCC[C@H]12 ZINC000992284065 646928042 /nfs/dbraw/zinc/92/80/42/646928042.db2.gz GURFGAALXQBXNC-YJBOKZPZSA-N 0 3 315.417 2.311 20 30 DEEDHN CC(C)N1CC(N=Nc2nc(-c3cccnc3)no2)[C@H](C)C1 ZINC000814947937 646950702 /nfs/dbraw/zinc/95/07/02/646950702.db2.gz QUPCFWAQRCBBJU-LLVKDONJSA-N 0 3 300.366 2.260 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4nccn4c3)CCC[C@H]12 ZINC000992398644 646969992 /nfs/dbraw/zinc/96/99/92/646969992.db2.gz AMOBMEJAOUPGJE-MAUKXSAKSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nnn(C(C)C)c3C)CCC[C@@H]12 ZINC000992396026 646970107 /nfs/dbraw/zinc/97/01/07/646970107.db2.gz UAEPNWVEWZFBLB-RHSMWYFYSA-N 0 3 317.437 2.080 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC000815909586 647065042 /nfs/dbraw/zinc/06/50/42/647065042.db2.gz CSGMVVPVGULKTC-JSGCOSHPSA-N 0 3 324.384 2.042 20 30 DEEDHN C=CCC(F)(F)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000816089069 647089851 /nfs/dbraw/zinc/08/98/51/647089851.db2.gz GZHXALKZFJCVAT-NEPJUHHUSA-N 0 3 304.406 2.236 20 30 DEEDHN C#CCN(C(=O)NCCc1ccccc1F)C1CCN(C)CC1 ZINC000913905166 647092945 /nfs/dbraw/zinc/09/29/45/647092945.db2.gz GIQDUBABKGZXSA-UHFFFAOYSA-N 0 3 317.408 2.107 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015249993 647131693 /nfs/dbraw/zinc/13/16/93/647131693.db2.gz WKYIWCGLJPRVHH-OAHLLOKOSA-N 0 3 306.356 2.381 20 30 DEEDHN C#CCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1)C1CCN(C)CC1 ZINC000914377481 647283606 /nfs/dbraw/zinc/28/36/06/647283606.db2.gz WFFVQBBHUCXKRX-MSOLQXFVSA-N 0 3 311.429 2.282 20 30 DEEDHN C#CCN(C(=O)NCc1sccc1C)C1CCN(C)CC1 ZINC000914403056 647292110 /nfs/dbraw/zinc/29/21/10/647292110.db2.gz JOURIZGNMFRBOY-UHFFFAOYSA-N 0 3 305.447 2.296 20 30 DEEDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](N)CCCC#N ZINC000818049318 647414127 /nfs/dbraw/zinc/41/41/27/647414127.db2.gz YBAYJIIXTSEFLD-CYBMUJFWSA-N 0 3 324.768 2.228 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCOc1cc(C)cc(C)c1C ZINC000818595868 647485647 /nfs/dbraw/zinc/48/56/47/647485647.db2.gz PEYJIACOWIBPDZ-UHFFFAOYSA-N 0 3 316.445 2.452 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cccnc3n2)[C@@H]1C ZINC000993333662 647614649 /nfs/dbraw/zinc/61/46/49/647614649.db2.gz HVIXBGZPVCOAQI-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccnn2C2CCC2)[C@H]1C ZINC000993366148 647628930 /nfs/dbraw/zinc/62/89/30/647628930.db2.gz NBALGAMQSSBEGC-GDBMZVCRSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000819335754 647638271 /nfs/dbraw/zinc/63/82/71/647638271.db2.gz PCFTYRWXXZESCG-INIZCTEOSA-N 0 3 320.458 2.167 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3ccccn23)[C@H]1C ZINC000993506466 647682908 /nfs/dbraw/zinc/68/29/08/647682908.db2.gz FGDHROIPRFMNBO-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H]1C ZINC000993518935 647688038 /nfs/dbraw/zinc/68/80/38/647688038.db2.gz JPHUOVQHKCXNLX-XJKSGUPXSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cncc3[nH]ccc32)[C@H]1C ZINC000993524815 647689265 /nfs/dbraw/zinc/68/92/65/647689265.db2.gz BXQRFLKNRIWEBJ-CJNGLKHVSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@H]1C ZINC000993531922 647690920 /nfs/dbraw/zinc/69/09/20/647690920.db2.gz OVOBKEKDSMWIQL-GDBMZVCRSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H]1C ZINC000993534056 647691005 /nfs/dbraw/zinc/69/10/05/647691005.db2.gz RXUJLXKGJBKSTG-HIFRSBDPSA-N 0 3 316.449 2.447 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(OCC)no2)[C@@H]1C ZINC000993612525 647707225 /nfs/dbraw/zinc/70/72/25/647707225.db2.gz IKTDRAAFONEMMG-QWHCGFSZSA-N 0 3 307.394 2.232 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC000993636279 647712636 /nfs/dbraw/zinc/71/26/36/647712636.db2.gz WHOCZFVAUNBCBC-UKRRQHHQSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(F)ccc2OC)[C@H]1C ZINC000993671859 647721976 /nfs/dbraw/zinc/72/19/76/647721976.db2.gz NQMBNHYJCKSIQJ-CZUORRHYSA-N 0 3 318.392 2.440 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@H]1C ZINC000993656760 647725945 /nfs/dbraw/zinc/72/59/45/647725945.db2.gz PTJKDFFKBJBOFT-RHSMWYFYSA-N 0 3 314.429 2.319 20 30 DEEDHN OCCN1CCC(N=Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000819828450 647731013 /nfs/dbraw/zinc/73/10/13/647731013.db2.gz DKOWHVCGFPSDIZ-UHFFFAOYSA-N 0 3 303.193 2.244 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3nonc3c2)[C@@H]1C ZINC000993726289 647731225 /nfs/dbraw/zinc/73/12/25/647731225.db2.gz CTHKGVORRQIPAJ-JSGCOSHPSA-N 0 3 314.389 2.382 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(c3cc(C)no3)CC2)[C@@H]1C ZINC000993734628 647741793 /nfs/dbraw/zinc/74/17/93/647741793.db2.gz VCMWJSWFOVHXSR-LSDHHAIUSA-N 0 3 315.417 2.007 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccncc2Cl)[C@H]1C ZINC000993853802 647756150 /nfs/dbraw/zinc/75/61/50/647756150.db2.gz APUFXCPVFHRRLI-IUODEOHRSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(C)ncc2Cl)[C@H]1C ZINC000993942388 647770135 /nfs/dbraw/zinc/77/01/35/647770135.db2.gz QSNKDSAMHCFMSJ-BXUZGUMPSA-N 0 3 320.824 2.044 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H]1C ZINC000994004632 647776331 /nfs/dbraw/zinc/77/63/31/647776331.db2.gz JRDCDDKQHBGKJA-SWLSCSKDSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC3(C2)CCOCC3)[C@H]1C ZINC000994207900 647806008 /nfs/dbraw/zinc/80/60/08/647806008.db2.gz GXGRZODUWXSFKB-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@H]1C ZINC000994231196 647813690 /nfs/dbraw/zinc/81/36/90/647813690.db2.gz NMNLBRMDUDNEDZ-ZBFHGGJFSA-N 0 3 312.417 2.191 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H]1C ZINC000994294315 647905817 /nfs/dbraw/zinc/90/58/17/647905817.db2.gz FQXWVOIHIDOFDF-CRAIPNDOSA-N 0 3 313.445 2.359 20 30 DEEDHN N#CC(C(=O)COc1cccc(Cl)c1)C(=O)N1CCCC1 ZINC000916866679 647934839 /nfs/dbraw/zinc/93/48/39/647934839.db2.gz BIJOCFOKJRHOMN-ZDUSSCGKSA-N 0 3 306.749 2.050 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000916868442 647935457 /nfs/dbraw/zinc/93/54/57/647935457.db2.gz NCYRPBNWPRRHCK-RBSFLKMASA-N 0 3 320.433 2.476 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(OC)cc1 ZINC000916874660 647936152 /nfs/dbraw/zinc/93/61/52/647936152.db2.gz HUJOKGPWNFXFIM-HNNXBMFYSA-N 0 3 318.373 2.089 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccccc1C(C)(C)C ZINC000916918533 647939338 /nfs/dbraw/zinc/93/93/38/647939338.db2.gz TYABJAOPDRMMHM-ZDUSSCGKSA-N 0 3 314.385 2.374 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000916917722 647939469 /nfs/dbraw/zinc/93/94/69/647939469.db2.gz MSBREFWXZLJKMD-AWEZNQCLSA-N 0 3 323.352 2.204 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000916921470 647941183 /nfs/dbraw/zinc/94/11/83/647941183.db2.gz TUNAWOKWIXQPDB-NWDGAFQWSA-N 0 3 320.776 2.427 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2csc(CC)n2)[C@H]1C ZINC000994498499 647971034 /nfs/dbraw/zinc/97/10/34/647971034.db2.gz MVVKSVYHWAVCOY-UKRRQHHQSA-N 0 3 319.474 2.240 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC3(CCC3)O2)CC1 ZINC000917142062 647975778 /nfs/dbraw/zinc/97/57/78/647975778.db2.gz NZVXUHCNSBFSLS-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCN(C)C[C@H]2CC(C)C)CC1 ZINC000917141821 647975835 /nfs/dbraw/zinc/97/58/35/647975835.db2.gz KJVCZHNOCDVWAI-QGZVFWFLSA-N 0 3 322.497 2.009 20 30 DEEDHN CO[C@@H]1CC[C@@H](N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000821337385 648038595 /nfs/dbraw/zinc/03/85/95/648038595.db2.gz UPDHKIUCDUWOKR-ZIAGYGMSSA-N 0 3 303.381 2.387 20 30 DEEDHN CCC(=O)N[C@H]1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC000994546123 648038767 /nfs/dbraw/zinc/03/87/67/648038767.db2.gz RQEPRNHSIXRCTD-WBMJQRKESA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H]1C ZINC000994549296 648044152 /nfs/dbraw/zinc/04/41/52/648044152.db2.gz QDQQTOQKNGTURB-DZGCQCFKSA-N 0 3 304.438 2.141 20 30 DEEDHN N#CCCC[C@H](N)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000822785157 648286716 /nfs/dbraw/zinc/28/67/16/648286716.db2.gz LTYXUELFOMJSFZ-LBPRGKRZSA-N 0 3 323.360 2.139 20 30 DEEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)N2CCCC2)cs1 ZINC000175094092 648332203 /nfs/dbraw/zinc/33/22/03/648332203.db2.gz QYZSJIAUIFSXFS-CYBMUJFWSA-N 0 3 305.403 2.106 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(C)occ1C(F)(F)F ZINC000823188548 648370993 /nfs/dbraw/zinc/37/09/93/648370993.db2.gz UBIZYUUAMUQMIN-UHFFFAOYSA-N 0 3 302.296 2.292 20 30 DEEDHN C=C(Cl)C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(=O)OCC ZINC000825147379 648711394 /nfs/dbraw/zinc/71/13/94/648711394.db2.gz MBRQDFYKAKUJOL-GFCCVEGCSA-N 0 3 318.845 2.155 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182338526 648879424 /nfs/dbraw/zinc/87/94/24/648879424.db2.gz YPICIYFJFJNPGL-ZDUSSCGKSA-N 0 3 304.390 2.252 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)C[C@@H]1C ZINC000947889634 648925381 /nfs/dbraw/zinc/92/53/81/648925381.db2.gz DDIYPVPYDHJTEI-RYUDHWBXSA-N 0 3 301.415 2.445 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2Cl)C(C)(C)C1 ZINC000940926230 648972777 /nfs/dbraw/zinc/97/27/77/648972777.db2.gz QJXZDQIODMYLJH-LBPRGKRZSA-N 0 3 324.856 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C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(C(F)F)CCC1)C2 ZINC001054183384 693874210 /nfs/dbraw/zinc/87/42/10/693874210.db2.gz GEHJVUYESHBAIZ-INIZCTEOSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1Cc3ccccc31)C2 ZINC001054187671 693875388 /nfs/dbraw/zinc/87/53/88/693875388.db2.gz XFOZSSFOCGVICH-ICSRJNTNSA-N 0 3 308.425 2.274 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@]3(CCN(CC#CC)C3)C2)cn1 ZINC001054230608 693892286 /nfs/dbraw/zinc/89/22/86/693892286.db2.gz XVOMYZVTKMJPBN-HXUWFJFHSA-N 0 3 321.424 2.014 20 30 DEEDHN N#CC(C(=O)Cc1c(F)cccc1Cl)C(=O)N1CCCC1 ZINC000193353443 685038008 /nfs/dbraw/zinc/03/80/08/685038008.db2.gz RAKMBSPYJKZDOZ-NSHDSACASA-N 0 3 308.740 2.353 20 30 DEEDHN CCO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193403997 685040126 /nfs/dbraw/zinc/04/01/26/685040126.db2.gz XBKDWVBAOCBTFT-JHJVBQTASA-N 0 3 306.749 2.412 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054311499 693924024 /nfs/dbraw/zinc/92/40/24/693924024.db2.gz 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CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001016655459 687675561 /nfs/dbraw/zinc/67/55/61/687675561.db2.gz XYARZIJIHVZGNX-KGLIPLIRSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2nccc3occc32)CC1 ZINC001016746814 687694345 /nfs/dbraw/zinc/69/43/45/687694345.db2.gz KUEFWCYGLFBMIQ-HNNXBMFYSA-N 0 3 309.369 2.045 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)Cc2occc2C)CC1 ZINC001016815805 687709172 /nfs/dbraw/zinc/70/91/72/687709172.db2.gz CAHSVNNVBMQXCT-INIZCTEOSA-N 0 3 300.402 2.125 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001016830068 687712278 /nfs/dbraw/zinc/71/22/78/687712278.db2.gz PIVCHYLEOKXWIV-MRXNPFEDSA-N 0 3 311.429 2.500 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016836241 687713868 /nfs/dbraw/zinc/71/38/68/687713868.db2.gz MAWXNDGXIKBXSO-WSWAVXESSA-N 0 3 324.852 2.301 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc3ccccn3c2)CC1 ZINC001016861039 687721012 /nfs/dbraw/zinc/72/10/12/687721012.db2.gz 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319.408 2.486 20 30 DEEDHN C=C(Cl)CN1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207653 689083811 /nfs/dbraw/zinc/08/38/11/689083811.db2.gz WWMVIRPJMUPIFZ-UHFFFAOYSA-N 0 3 321.852 2.162 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1sc(C)nc1C ZINC001032530635 689178487 /nfs/dbraw/zinc/17/84/87/689178487.db2.gz RDFPXAWDTZVEDP-KBPBESRZSA-N 0 3 305.447 2.164 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]c1=O ZINC001032550675 689183271 /nfs/dbraw/zinc/18/32/71/689183271.db2.gz BGTJYTDIFAFAEA-GJZGRUSLSA-N 0 3 323.396 2.415 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCCC2 ZINC001032584311 689194227 /nfs/dbraw/zinc/19/42/27/689194227.db2.gz STZMAFSSKXXZER-GJZGRUSLSA-N 0 3 314.433 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001032628878 689206483 /nfs/dbraw/zinc/20/64/83/689206483.db2.gz MUHIYQRGYQSFDV-RLFYNMQTSA-N 0 3 323.456 2.060 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032638454 689208087 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C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001033253867 689440196 /nfs/dbraw/zinc/44/01/96/689440196.db2.gz ORJFDHJYRJPQGX-INIZCTEOSA-N 0 3 302.418 2.265 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001033416299 689493331 /nfs/dbraw/zinc/49/33/31/689493331.db2.gz JYVLUMKGMNVFMG-LJQANCHMSA-N 0 3 323.440 2.232 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874843151 689514765 /nfs/dbraw/zinc/51/47/65/689514765.db2.gz MUIAFMQEOUUXOA-BPUTZDHNSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnc(C(C)C)nc2C)C1 ZINC001033476985 689515386 /nfs/dbraw/zinc/51/53/86/689515386.db2.gz FGUOZSNPRHVNOZ-HNNXBMFYSA-N 0 3 314.433 2.078 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001033510320 689526003 /nfs/dbraw/zinc/52/60/03/689526003.db2.gz VAOKYXJFRMPRCH-NVXWUHKLSA-N 0 3 312.413 2.109 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3sccc3[nH]2)C1 ZINC001033552797 689539871 /nfs/dbraw/zinc/53/98/71/689539871.db2.gz IRDSOEFGMKUTNS-LBPRGKRZSA-N 0 3 301.415 2.399 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001033565689 689544713 /nfs/dbraw/zinc/54/47/13/689544713.db2.gz GFVGEJQNZWJFIE-MRXNPFEDSA-N 0 3 302.422 2.016 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnn(CCCC)c2C)C1 ZINC001033569344 689546642 /nfs/dbraw/zinc/54/66/42/689546642.db2.gz UYVOEBSONGFBAE-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001033574947 689548179 /nfs/dbraw/zinc/54/81/79/689548179.db2.gz NVUVWWDSEIUIKV-OAHLLOKOSA-N 0 3 304.438 2.495 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnc(OC(C)C)c2)C1 ZINC001033582615 689550478 /nfs/dbraw/zinc/55/04/78/689550478.db2.gz SNZKSIGSMYOWJK-MRXNPFEDSA-N 0 3 315.417 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(N(C)C)c2)C1 ZINC001033615304 689560826 /nfs/dbraw/zinc/56/08/26/689560826.db2.gz BHVWRCBYOZDWLD-KRWDZBQOSA-N 0 3 301.434 2.475 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001033672874 689580433 /nfs/dbraw/zinc/58/04/33/689580433.db2.gz STPIFUXCBQKTBT-CYBMUJFWSA-N 0 3 314.389 2.392 20 30 DEEDHN C=CCN1CCC(NC(=O)NC(C)(C)C(O)(CC)CC)CC1 ZINC000875246767 689595213 /nfs/dbraw/zinc/59/52/13/689595213.db2.gz GISWOQRCAPQKCI-UHFFFAOYSA-N 0 3 311.470 2.266 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(C)(C)O)C2)CC1 ZINC000875246101 689595429 /nfs/dbraw/zinc/59/54/29/689595429.db2.gz FZYGHJRKQNBTEC-OAHLLOKOSA-N 0 3 323.481 2.219 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001033837050 689631944 /nfs/dbraw/zinc/63/19/44/689631944.db2.gz QVJLBJQCJGMEBK-HOTGVXAUSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001033960736 689674579 /nfs/dbraw/zinc/67/45/79/689674579.db2.gz HDCVVFSLNGFUEG-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnn(C(F)F)c2)C1 ZINC001033997979 689687286 /nfs/dbraw/zinc/68/72/86/689687286.db2.gz KCPAHDGIDPKILM-CYBMUJFWSA-N 0 3 312.364 2.391 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001034017309 689694719 /nfs/dbraw/zinc/69/47/19/689694719.db2.gz RKYWQGPPWLXMRF-KRWDZBQOSA-N 0 3 316.449 2.406 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn(C)nc2CC)C1 ZINC001034259103 689785541 /nfs/dbraw/zinc/78/55/41/689785541.db2.gz OKQVHGGLCPZUTH-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001034271088 689789244 /nfs/dbraw/zinc/78/92/44/689789244.db2.gz LAPPONUYQVRQOM-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2coc(OCC)n2)C1 ZINC001034288068 689796348 /nfs/dbraw/zinc/79/63/48/689796348.db2.gz DFJBJBGWIHWSCQ-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034290950 689797910 /nfs/dbraw/zinc/79/79/10/689797910.db2.gz KWXNFKYDSJOQMD-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000876320327 689800990 /nfs/dbraw/zinc/80/09/90/689800990.db2.gz JXJHWQGIDXIMJX-UHFFFAOYSA-N 0 3 324.513 2.258 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001034394004 689833414 /nfs/dbraw/zinc/83/34/14/689833414.db2.gz JCWKBBUOSCOAPF-AWEZNQCLSA-N 0 3 319.453 2.194 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001034394006 689833814 /nfs/dbraw/zinc/83/38/14/689833814.db2.gz JCWKBBUOSCOAPF-CQSZACIVSA-N 0 3 319.453 2.194 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001034403762 689837047 /nfs/dbraw/zinc/83/70/47/689837047.db2.gz BJTOWKWBRCUGLN-SJLPKXTDSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001034403074 689837312 /nfs/dbraw/zinc/83/73/12/689837312.db2.gz ZPDDKBQRDMLCDY-ARFHVFGLSA-N 0 3 316.449 2.070 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000876503429 689841190 /nfs/dbraw/zinc/84/11/90/689841190.db2.gz JMYOTOBDMXPBGI-SSDOTTSWSA-N 0 3 309.675 2.214 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000876503460 689841448 /nfs/dbraw/zinc/84/14/48/689841448.db2.gz KLSKIYBQMFQZMO-ZIAGYGMSSA-N 0 3 312.772 2.196 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001034425769 689844746 /nfs/dbraw/zinc/84/47/46/689844746.db2.gz RLKGQBTXSYVDEK-ZDUSSCGKSA-N 0 3 314.389 2.039 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001034432970 689848756 /nfs/dbraw/zinc/84/87/56/689848756.db2.gz BCIYMMWANILQJL-ZDUSSCGKSA-N 0 3 320.824 2.046 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000876555463 689854670 /nfs/dbraw/zinc/85/46/70/689854670.db2.gz ZQXFSBQTSAYOPD-LBPRGKRZSA-N 0 3 312.797 2.132 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCCCN(CC#N)C1 ZINC001034479964 689865958 /nfs/dbraw/zinc/86/59/58/689865958.db2.gz CWMCCMWWBVZFCM-IRXDYDNUSA-N 0 3 320.481 2.135 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001034497809 689874190 /nfs/dbraw/zinc/87/41/90/689874190.db2.gz GWCWLONCJXSESJ-CYBMUJFWSA-N 0 3 306.431 2.364 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000876620611 689878104 /nfs/dbraw/zinc/87/81/04/689878104.db2.gz QQBBUFJCKCHFKH-DOMZBBRYSA-N 0 3 310.825 2.425 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000876620605 689878705 /nfs/dbraw/zinc/87/87/05/689878705.db2.gz QNVRMSRNQATXCM-SNPRPXQTSA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1noc(CC)n1 ZINC000876623021 689878974 /nfs/dbraw/zinc/87/89/74/689878974.db2.gz ABWUAEITQJAFHP-MNOVXSKESA-N 0 3 312.801 2.156 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000876645403 689886911 /nfs/dbraw/zinc/88/69/11/689886911.db2.gz NJSLPKJLZHVIHE-ZIAGYGMSSA-N 0 3 312.772 2.196 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001034540747 689892000 /nfs/dbraw/zinc/89/20/00/689892000.db2.gz KDMFWPJRSZSPKU-OAHLLOKOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000876691929 689904363 /nfs/dbraw/zinc/90/43/63/689904363.db2.gz TVQLIYNPWVDNGA-YFKPBYRVSA-N 0 3 314.720 2.051 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000876715061 689913333 /nfs/dbraw/zinc/91/33/33/689913333.db2.gz GTAMDEMQIJJVID-OAHLLOKOSA-N 0 3 307.825 2.114 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC000876720005 689914901 /nfs/dbraw/zinc/91/49/01/689914901.db2.gz ABCPYGPSCPUDFB-CYBMUJFWSA-N 0 3 310.829 2.014 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCN(CC)c1ccccc1C ZINC000876724929 689916708 /nfs/dbraw/zinc/91/67/08/689916708.db2.gz CKMOMYDXHQHGHM-CQSZACIVSA-N 0 3 309.841 2.407 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876740808 689922889 /nfs/dbraw/zinc/92/28/89/689922889.db2.gz PFYFQTRCSKMGQL-AWEZNQCLSA-N 0 3 307.825 2.155 20 30 DEEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)CC#N ZINC000931168579 694331266 /nfs/dbraw/zinc/33/12/66/694331266.db2.gz KWTQTWZDPNTFOK-QZTJIDSGSA-N 0 3 301.434 2.103 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000876881321 689963006 /nfs/dbraw/zinc/96/30/06/689963006.db2.gz XLQDRLXZRDUJTL-ZDUSSCGKSA-N 0 3 317.216 2.443 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(Br)o1 ZINC000876943010 689978656 /nfs/dbraw/zinc/97/86/56/689978656.db2.gz MCVUKPLGQUMPDS-SECBINFHSA-N 0 3 321.602 2.470 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCCOC[C@H]2CCOC2)c1 ZINC000877058578 690009507 /nfs/dbraw/zinc/00/95/07/690009507.db2.gz CJRLBFKKWHDQFV-GFCCVEGCSA-N 0 3 309.797 2.139 20 30 DEEDHN N#Cc1ccc(F)c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877067534 690012211 /nfs/dbraw/zinc/01/22/11/690012211.db2.gz FJPWDKJGDRFFEG-UHFFFAOYSA-N 0 3 315.308 2.295 20 30 DEEDHN C=C(Cl)C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)OCC ZINC000877144392 690028956 /nfs/dbraw/zinc/02/89/56/690028956.db2.gz LTYGPFRSNZECQQ-ZIAGYGMSSA-N 0 3 324.808 2.267 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC1CC(Nc2ccccc2)C1 ZINC000877435326 690112501 /nfs/dbraw/zinc/11/25/01/690112501.db2.gz PUKHWHGXVUJYIQ-GPANFISMSA-N 0 3 300.406 2.157 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC(F)(F)C1)CC2 ZINC001035723966 690161798 /nfs/dbraw/zinc/16/17/98/690161798.db2.gz ZOOCBUILHNTBBF-CQSZACIVSA-N 0 3 310.388 2.370 20 30 DEEDHN CC[C@@H](C)[C@@H](CN1CCN(c2ccc(C#N)nc2)CC1)OC ZINC000877645280 690178234 /nfs/dbraw/zinc/17/82/34/690178234.db2.gz HANKFCNQVNVCHH-RHSMWYFYSA-N 0 3 302.422 2.136 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ncoc1C1CC1)CC2 ZINC001035828536 690187212 /nfs/dbraw/zinc/18/72/12/690187212.db2.gz QHNFKWPJURSGLC-UHFFFAOYSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC[C@H]1CC[C@@H](C)O1)CC2 ZINC001035852323 690193377 /nfs/dbraw/zinc/19/33/77/690193377.db2.gz ARUFWBMRTWPFGD-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C[C@H]1CN(C(=O)C(F)F)CC[C@H]1NCc1ccccc1C#N ZINC001035870377 690199359 /nfs/dbraw/zinc/19/93/59/690199359.db2.gz ZBLWRMDBPAQQSX-SMDDNHRTSA-N 0 3 307.344 2.150 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000878302690 690373005 /nfs/dbraw/zinc/37/30/05/690373005.db2.gz UPSTZAVGRKKMTC-AWEZNQCLSA-N 0 3 305.397 2.346 20 30 DEEDHN O=C(C(F)F)N1CC[C@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036611400 690399628 /nfs/dbraw/zinc/39/96/28/690399628.db2.gz CNVXCYYAOFGZKQ-HOTGVXAUSA-N 0 3 318.367 2.226 20 30 DEEDHN Cc1nn(C)c(N2CCN(CC3CC4(CCC4)C3)CC2)c1C#N ZINC000878495502 690425056 /nfs/dbraw/zinc/42/50/56/690425056.db2.gz XKWAMRWEABIVHX-UHFFFAOYSA-N 0 3 313.449 2.303 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](O)C1(C)C)c1ccccc1 ZINC000878634656 690461741 /nfs/dbraw/zinc/46/17/41/690461741.db2.gz KGGRJKOEBQJCEN-WMZOPIPTSA-N 0 3 300.402 2.272 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@@H]1CCC[C@@H]1NC(=O)C1CC1 ZINC001036917922 690527710 /nfs/dbraw/zinc/52/77/10/690527710.db2.gz DKHJQJLXVURUKA-YOEHRIQHSA-N 0 3 315.392 2.482 20 30 DEEDHN N#CCOc1ccc(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)cc1 ZINC000879489652 690652755 /nfs/dbraw/zinc/65/27/55/690652755.db2.gz PQCIRMJNPBQURD-QGZVFWFLSA-N 0 3 313.401 2.065 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccnn1C ZINC000879684013 690705740 /nfs/dbraw/zinc/70/57/40/690705740.db2.gz DTTOFEDZFXMPIY-GFCCVEGCSA-N 0 3 300.362 2.030 20 30 DEEDHN COCC#CCN1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879699412 690709993 /nfs/dbraw/zinc/70/99/93/690709993.db2.gz BNXGHRZXIUJVRY-HZPDHXFCSA-N 0 3 322.449 2.358 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038294218 690771036 /nfs/dbraw/zinc/77/10/36/690771036.db2.gz PSFIVBHBLGELAC-LBPRGKRZSA-N 0 3 310.829 2.327 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CCC(=O)OC)C1 ZINC000880038379 690788914 /nfs/dbraw/zinc/78/89/14/690788914.db2.gz WEBVCGLRIBPAHZ-CVEARBPZSA-N 0 3 322.449 2.241 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001038485447 690837110 /nfs/dbraw/zinc/83/71/10/690837110.db2.gz OSEIXOMZXADEHR-IAGOWNOFSA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCN1CC[C@H](N2Cc3ccccc3N3CCC[C@H]3C2)C1=O ZINC000880553106 690925134 /nfs/dbraw/zinc/92/51/34/690925134.db2.gz BKKCPOQVRNSPCQ-WMZOPIPTSA-N 0 3 311.429 2.258 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001038783503 690925626 /nfs/dbraw/zinc/92/56/26/690925626.db2.gz BVOLEFFSUYIJAH-CVEARBPZSA-N 0 3 314.429 2.492 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CCC1 ZINC001038800960 690929622 /nfs/dbraw/zinc/92/96/22/690929622.db2.gz WETDVZMTFMANFO-ULQDDVLXSA-N 0 3 306.450 2.348 20 30 DEEDHN OCCCCCN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000931492214 694412359 /nfs/dbraw/zinc/41/23/59/694412359.db2.gz JLUARTUBIZSMDS-UHFFFAOYSA-N 0 3 320.864 2.472 20 30 DEEDHN CCCN(C(=O)Nc1cccc(CC#N)n1)[C@@H]1CCN(C)C1 ZINC000881143478 691035889 /nfs/dbraw/zinc/03/58/89/691035889.db2.gz ALPRYFAOJJEKPU-CQSZACIVSA-N 0 3 301.394 2.096 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cscn2)C1 ZINC001039192621 691046332 /nfs/dbraw/zinc/04/63/32/691046332.db2.gz GEQSOVPXTOFGQA-GDBMZVCRSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(F)(F)F)C1 ZINC001039194553 691047818 /nfs/dbraw/zinc/04/78/18/691047818.db2.gz TVNQLJANCOODEN-OLZOCXBDSA-N 0 3 302.340 2.275 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cscn2)C1 ZINC001039194873 691048280 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ZINC001332960474 1149936760 /nfs/dbraw/zinc/93/67/60/1149936760.db2.gz UVPSNOGBAMCFEI-CYBMUJFWSA-N 0 3 319.474 2.234 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)/C=C(/C)C2CC2)CC1 ZINC001332973241 1149941344 /nfs/dbraw/zinc/94/13/44/1149941344.db2.gz FQYXOJOHHRPPNF-FCFCDCELSA-N 0 3 318.461 2.209 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)C=C3CCC3)CC2)CC1 ZINC001333168380 1150010333 /nfs/dbraw/zinc/01/03/33/1150010333.db2.gz YJDRPAORMJITIT-UHFFFAOYSA-N 0 3 316.445 2.107 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccccc2O[C@H](C)C(=O)OC)C1 ZINC001334984620 1150363070 /nfs/dbraw/zinc/36/30/70/1150363070.db2.gz MPFOJPRSLOAJLS-GDBMZVCRSA-N 0 3 319.401 2.404 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(Nc2ccccn2)CC1 ZINC001344613451 1150832600 /nfs/dbraw/zinc/83/26/00/1150832600.db2.gz KPDAIQSIMLFNIY-HNNXBMFYSA-N 0 3 302.422 2.168 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)[C@@H](C)C#N)CCC2)cc1F ZINC001402551920 1162390057 /nfs/dbraw/zinc/39/00/57/1162390057.db2.gz XEULSOHFAZETHS-LBPRGKRZSA-N 0 3 319.380 2.122 20 30 DEEDHN Cc1cccnc1CN1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 ZINC001402593416 1162404675 /nfs/dbraw/zinc/40/46/75/1162404675.db2.gz DMBPJACELUBNDO-CABCVRRESA-N 0 3 300.406 2.020 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C=Cc1cc(C(=O)OC)co1 ZINC001349702502 1151273906 /nfs/dbraw/zinc/27/39/06/1151273906.db2.gz QUCUVIIVOZHXGZ-DSYXLKISSA-N 0 3 313.313 2.172 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001355024905 1151971673 /nfs/dbraw/zinc/97/16/73/1151971673.db2.gz XGCORXLDTBGJSR-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@]1(F)CCOC1 ZINC001356088387 1152057005 /nfs/dbraw/zinc/05/70/05/1152057005.db2.gz RKFCKXWWANTFNO-OTYXRUKQSA-N 0 3 310.712 2.116 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1(C)COC1 ZINC001356265394 1152068174 /nfs/dbraw/zinc/06/81/74/1152068174.db2.gz IAHABJZQUDDMAH-LBPRGKRZSA-N 0 3 316.357 2.159 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001379846249 1152703570 /nfs/dbraw/zinc/70/35/70/1152703570.db2.gz DCWCGWGGVYMMBW-ZUZCIYMTSA-N 0 3 307.344 2.109 20 30 DEEDHN Cc1cnccc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001380088987 1152748690 /nfs/dbraw/zinc/74/86/90/1152748690.db2.gz QXMDDKWUWHXEKC-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001380304879 1152785440 /nfs/dbraw/zinc/78/54/40/1152785440.db2.gz KEWJIINBMRHIQZ-MRXNPFEDSA-N 0 3 315.392 2.341 20 30 DEEDHN Cc1cc(CNC[C@H]2CC[C@H](CNC(=O)[C@H](C)C#N)CC2)no1 ZINC001380683596 1152843634 /nfs/dbraw/zinc/84/36/34/1152843634.db2.gz ZKAYPPRVVRFEFX-BPLDGKMQSA-N 0 3 318.421 2.155 20 30 DEEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N[C@@H](C)c1ccccc1F ZINC001402870722 1162507315 /nfs/dbraw/zinc/50/73/15/1162507315.db2.gz MVEUPXIHVCVXIL-NEPJUHHUSA-N 0 3 314.364 2.495 20 30 DEEDHN CCOCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001380910258 1152876790 /nfs/dbraw/zinc/87/67/90/1152876790.db2.gz BRDVMAKLVZNOIB-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C2=CCCC2)cc1C#N ZINC001402875794 1162510811 /nfs/dbraw/zinc/51/08/11/1162510811.db2.gz XLBLEEWNVORYPC-CYBMUJFWSA-N 0 3 313.401 2.271 20 30 DEEDHN Cc1noc(C)c1CNCC1(NC(=O)[C@@H](C)C#N)CCCCC1 ZINC001381718947 1153194508 /nfs/dbraw/zinc/19/45/08/1153194508.db2.gz YYUUTTIDMKTTDV-LBPRGKRZSA-N 0 3 318.421 2.360 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001363580865 1153470206 /nfs/dbraw/zinc/47/02/06/1153470206.db2.gz NXIYBLSGGUSLGA-JCGIZDLHSA-N 0 3 311.429 2.432 20 30 DEEDHN Cc1ccc(O[C@H]2CCN(C[C@@H](O)c3cccc(C#N)c3)C2)nc1 ZINC001363809226 1153642299 /nfs/dbraw/zinc/64/22/99/1153642299.db2.gz OSYRUXJWGTYZTK-ZWKOTPCHSA-N 0 3 323.396 2.448 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001403052623 1162670126 /nfs/dbraw/zinc/67/01/26/1162670126.db2.gz GACOAVTVVXMUKU-AWEZNQCLSA-N 0 3 312.417 2.292 20 30 DEEDHN CCc1onc(C)c1CN1CCC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001390041501 1155507877 /nfs/dbraw/zinc/50/78/77/1155507877.db2.gz GAIVUEPKBFUICL-JSGCOSHPSA-N 0 3 318.421 2.033 20 30 DEEDHN CCOCC(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC001370911904 1155630474 /nfs/dbraw/zinc/63/04/74/1155630474.db2.gz SSRIKWMTOMGFHD-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN C[C@@H](CNC(=O)c1cccn1C)N(C)Cc1ccc(C#N)cc1 ZINC001403111130 1162729789 /nfs/dbraw/zinc/72/97/89/1162729789.db2.gz YJWURJVZLOGXQQ-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN C[C@@H](CCNC(=O)Cc1cccnc1)NCc1ccccc1C#N ZINC001371739293 1155992458 /nfs/dbraw/zinc/99/24/58/1155992458.db2.gz HEFTVHACKCARMK-HNNXBMFYSA-N 0 3 322.412 2.180 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cnn2ccccc12 ZINC001371771094 1156008140 /nfs/dbraw/zinc/00/81/40/1156008140.db2.gz OYHGNZYRJFUEOG-CYBMUJFWSA-N 0 3 320.824 2.114 20 30 DEEDHN CN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccc2c(c1)CCC2 ZINC001371955010 1156083866 /nfs/dbraw/zinc/08/38/66/1156083866.db2.gz YUBLRKRTDSANKR-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001403208559 1162820021 /nfs/dbraw/zinc/82/00/21/1162820021.db2.gz WTSDOPNYLVVBBL-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)C1CC(C)C1 ZINC001392549819 1157119023 /nfs/dbraw/zinc/11/90/23/1157119023.db2.gz IKFSXOAJNLNHQR-OWYJLGKBSA-N 0 3 315.417 2.207 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)c3ccoc3)CC2)ccc1F ZINC001392882987 1157509049 /nfs/dbraw/zinc/50/90/49/1157509049.db2.gz GXCVXXZYMTWCOM-UHFFFAOYSA-N 0 3 313.332 2.343 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cncc2[nH]ccc21 ZINC001403421869 1162877970 /nfs/dbraw/zinc/87/79/70/1162877970.db2.gz UNBYJGMXHWPIMO-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)COc1ccc(F)cc1 ZINC001403483788 1162897290 /nfs/dbraw/zinc/89/72/90/1162897290.db2.gz GYOMOMQSRHMMJQ-LBPRGKRZSA-N 0 3 314.788 2.441 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cncc1C ZINC001374394213 1157837830 /nfs/dbraw/zinc/83/78/30/1157837830.db2.gz GVUJSKYKIDXYTJ-IUODEOHRSA-N 0 3 324.856 2.161 20 30 DEEDHN COCCC(=O)N1CCC(C)(NCc2ccccc2C#N)CC1 ZINC001393746460 1157946712 /nfs/dbraw/zinc/94/67/12/1157946712.db2.gz UPDSMSAQFIZDBV-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN CCCC(C)(C)C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 ZINC001374643119 1157948667 /nfs/dbraw/zinc/94/86/67/1157948667.db2.gz QDXYVNZAPXKCNR-LBPRGKRZSA-N 0 3 323.462 2.013 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccncc1 ZINC001374724445 1157982431 /nfs/dbraw/zinc/98/24/31/1157982431.db2.gz WDAVQJXNJPAVIR-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1[nH]ncc1C(F)(F)F ZINC001393803939 1157998653 /nfs/dbraw/zinc/99/86/53/1157998653.db2.gz FWPYDCWCBHUYAY-QMMMGPOBSA-N 0 3 324.734 2.279 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)Oc1cccnc1 ZINC001393818644 1158007595 /nfs/dbraw/zinc/00/75/95/1158007595.db2.gz ZYIRAMALOBMKQP-QWHCGFSZSA-N 0 3 311.813 2.086 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001393909004 1158059910 /nfs/dbraw/zinc/05/99/10/1158059910.db2.gz MQPSDAGSEADUKV-UHFFFAOYSA-N 0 3 310.829 2.315 20 30 DEEDHN C[C@@H](NC[C@H](C)NC(=O)c1c[nH]c(C#N)c1)c1ccccc1F ZINC001374883789 1158073789 /nfs/dbraw/zinc/07/37/89/1158073789.db2.gz MFEVXTBDQHLGAD-NWDGAFQWSA-N 0 3 314.364 2.495 20 30 DEEDHN C[C@@H](NC(=O)CCCF)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001393979840 1158129383 /nfs/dbraw/zinc/12/93/83/1158129383.db2.gz VDZCNUFEHMQRPH-NWDGAFQWSA-N 0 3 309.360 2.430 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001375030282 1158221009 /nfs/dbraw/zinc/22/10/09/1158221009.db2.gz FLBWUHNNHBZOSE-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(COC)CCC2)C1 ZINC001394369247 1158435590 /nfs/dbraw/zinc/43/55/90/1158435590.db2.gz OCRLEIKKIWKMBH-JOCQHMNTSA-N 0 3 300.830 2.040 20 30 DEEDHN COCc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001375821131 1158883179 /nfs/dbraw/zinc/88/31/79/1158883179.db2.gz OKLYZBGFPBPKLZ-KBXCAEBGSA-N 0 3 315.417 2.073 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)Cn2ccnc2C)C1 ZINC001376630571 1159616869 /nfs/dbraw/zinc/61/68/69/1159616869.db2.gz YEXFXLAENXPREG-UKRRQHHQSA-N 0 3 324.856 2.161 20 30 DEEDHN CC[C@H](OC)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001377007504 1159874343 /nfs/dbraw/zinc/87/43/43/1159874343.db2.gz JMJWDWRBOYBJTG-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccnc1OCC ZINC001377089013 1159896246 /nfs/dbraw/zinc/89/62/46/1159896246.db2.gz ABOUSAVZIDMSOW-LBPRGKRZSA-N 0 3 311.813 2.331 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](NCc2ccncc2Cl)C1 ZINC001397151236 1160020706 /nfs/dbraw/zinc/02/07/06/1160020706.db2.gz FPDQJXLIUPVYHD-SGMGOOAPSA-N 0 3 320.824 2.269 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H](C)SC)CCOCC1 ZINC001377191570 1160022798 /nfs/dbraw/zinc/02/27/98/1160022798.db2.gz SKWDPNOWWCVISP-GFCCVEGCSA-N 0 3 320.886 2.136 20 30 DEEDHN CCN(CCNC(=O)C(C)(C)COC)Cc1ccc(C#N)cc1 ZINC001377322424 1160215474 /nfs/dbraw/zinc/21/54/74/1160215474.db2.gz IBLKWGDDCAARPG-UHFFFAOYSA-N 0 3 317.433 2.169 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001397560534 1160329027 /nfs/dbraw/zinc/32/90/27/1160329027.db2.gz CZNDKSKGCSARJW-OFQRWUPVSA-N 0 3 314.433 2.349 20 30 DEEDHN CCCN(CCNC(=O)[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC001377472891 1160401858 /nfs/dbraw/zinc/40/18/58/1160401858.db2.gz GLAWAIYDBQQQIS-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C[C@H](CNC(=O)c1ccccn1)N(C)Cc1ccc(C#N)cc1 ZINC001377993352 1160895470 /nfs/dbraw/zinc/89/54/70/1160895470.db2.gz WVMJTTCUJACRML-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN CCN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccc(F)cc1 ZINC001399718217 1161537186 /nfs/dbraw/zinc/53/71/86/1161537186.db2.gz UXEHWACZDNFBNM-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1coc(CC)n1)C1CC1 ZINC001400971063 1161853667 /nfs/dbraw/zinc/85/36/67/1161853667.db2.gz DJAOHFXJHOZZDR-HNNXBMFYSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ncccc1F)C(C)C ZINC001401337332 1161937221 /nfs/dbraw/zinc/93/72/21/1161937221.db2.gz PZTAUHFZLOVCCV-AWEZNQCLSA-N 0 3 313.804 2.246 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CC12CC2 ZINC001401647771 1162058835 /nfs/dbraw/zinc/05/88/35/1162058835.db2.gz XLWXQIWIEYMRSL-BXUZGUMPSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001404041464 1163395218 /nfs/dbraw/zinc/39/52/18/1163395218.db2.gz OYRFKQJSVBHJNS-TZMCWYRMSA-N 0 3 305.809 2.438 20 30 DEEDHN CC[C@H](CNC(=O)C1(C)CC1)NCc1cc(C#N)ccc1OC ZINC001405244690 1164025827 /nfs/dbraw/zinc/02/58/27/1164025827.db2.gz DJYMUKQLMHTXOL-OAHLLOKOSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Br)CNC1(CNC(=O)C2CC2)CCCC1 ZINC001405752173 1164220452 /nfs/dbraw/zinc/22/04/52/1164220452.db2.gz XSBXUBGFDPKYPB-UHFFFAOYSA-N 0 3 301.228 2.324 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H](C)n1cccn1)C(C)C ZINC001406081352 1164432028 /nfs/dbraw/zinc/43/20/28/1164432028.db2.gz VKMGBNJNOXKTBJ-KBPBESRZSA-N 0 3 312.845 2.317 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001406601891 1164720428 /nfs/dbraw/zinc/72/04/28/1164720428.db2.gz CKAPUCSXQFRYPR-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001408149624 1165498569 /nfs/dbraw/zinc/49/85/69/1165498569.db2.gz BJLXKRVDKZIMOR-ZDUSSCGKSA-N 0 3 314.857 2.118 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001417898859 1167291811 /nfs/dbraw/zinc/29/18/11/1167291811.db2.gz KUCYCQCMFMHBKG-PWSUYJOCSA-N 0 3 314.792 2.274 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H](NCc1cccc(F)c1F)C1CC1 ZINC001417971620 1167337110 /nfs/dbraw/zinc/33/71/10/1167337110.db2.gz WHQUWSWMHZVAIY-IINYFYTJSA-N 0 3 307.344 2.109 20 30 DEEDHN COc1ccc(Cl)c(CN[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)c1 ZINC001418048636 1167382391 /nfs/dbraw/zinc/38/23/91/1167382391.db2.gz GIQOJDFKPUSEEK-RAIGVLPGSA-N 0 3 321.808 2.245 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)Cn2cncc2C)C1 ZINC001418169859 1167457604 /nfs/dbraw/zinc/45/76/04/1167457604.db2.gz DFLQQOJDGBMADY-CABCVRRESA-N 0 3 324.856 2.161 20 30 DEEDHN Cc1ccc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)n1C ZINC001418194802 1167476222 /nfs/dbraw/zinc/47/62/22/1167476222.db2.gz IHBONZUFGJLRDK-NSHDSACASA-N 0 3 316.430 2.175 20 30 DEEDHN C[C@H](CNC(=O)C1(CCF)CC1)NCc1ccc(F)c(C#N)c1 ZINC001418268164 1167533457 /nfs/dbraw/zinc/53/34/57/1167533457.db2.gz XICVNVBMQBHMEE-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CN[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001418316408 1167571342 /nfs/dbraw/zinc/57/13/42/1167571342.db2.gz IFTBHYPTBHAKMG-HIFRSBDPSA-N 0 3 309.841 2.136 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001418607982 1167841380 /nfs/dbraw/zinc/84/13/80/1167841380.db2.gz AZDSRJVVDXGGHX-GYSYKLTISA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC001418851250 1168009033 /nfs/dbraw/zinc/00/90/33/1168009033.db2.gz CJKJTCQBNYRCKE-HNNXBMFYSA-N 0 3 318.808 2.152 20 30 DEEDHN CCc1noc(C)c1CNC[C@](C)(NC(=O)[C@@H](C)C#N)C1CC1 ZINC001419332901 1168406596 /nfs/dbraw/zinc/40/65/96/1168406596.db2.gz HQKFGIBDEQJUQD-GTNSWQLSSA-N 0 3 318.421 2.080 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)c1ccccn1 ZINC001419438564 1168480621 /nfs/dbraw/zinc/48/06/21/1168480621.db2.gz ONFFSWRVTLBTEM-CQSZACIVSA-N 0 3 308.385 2.109 20 30 DEEDHN CC(C)OCCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001419703011 1168809793 /nfs/dbraw/zinc/80/97/93/1168809793.db2.gz HTRPXRNWOFISKK-ZDUSSCGKSA-N 0 3 321.396 2.107 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C(C)(C)C)cc1C#N ZINC001419905280 1168899421 /nfs/dbraw/zinc/89/94/21/1168899421.db2.gz HTCXDSFJGUZQIG-GFCCVEGCSA-N 0 3 303.406 2.207 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(C)CCC1 ZINC001420321519 1169358412 /nfs/dbraw/zinc/35/84/12/1169358412.db2.gz MBFYTLVMVOJZLI-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)COC(C)(C)C ZINC001420409074 1169493749 /nfs/dbraw/zinc/49/37/49/1169493749.db2.gz LLOUSRSQGWBYTA-LBPRGKRZSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](F)C(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001420764251 1171126634 /nfs/dbraw/zinc/12/66/34/1171126634.db2.gz ITLMLZXLCBDGAG-HOCLYGCPSA-N 0 3 321.371 2.430 20 30 DEEDHN CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001420811295 1171192130 /nfs/dbraw/zinc/19/21/30/1171192130.db2.gz NHNGEHPMZHUYRF-LSDHHAIUSA-N 0 3 307.438 2.028 20 30 DEEDHN CCc1ocnc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001420920727 1171349767 /nfs/dbraw/zinc/34/97/67/1171349767.db2.gz ILTQUWASYMEHQX-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCCCO2)CCCC1 ZINC001421508037 1171826709 /nfs/dbraw/zinc/82/67/09/1171826709.db2.gz ZWLDZUCCVDGXMD-CYBMUJFWSA-N 0 3 300.830 2.327 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CN(C)CCC ZINC001421631218 1171875727 /nfs/dbraw/zinc/87/57/27/1171875727.db2.gz GQJFQLNXXIWUSR-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN C[C@H](CNC/C(Cl)=C/Cl)CNC(=O)c1cc(C#N)c[nH]1 ZINC001421671504 1171892988 /nfs/dbraw/zinc/89/29/88/1171892988.db2.gz HYDUYHJWRWYASG-GRXJFFANSA-N 0 3 315.204 2.161 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCn2cccn2)CCCC1 ZINC001421813822 1172010483 /nfs/dbraw/zinc/01/04/83/1172010483.db2.gz BFDFOBXDAMYENN-UHFFFAOYSA-N 0 3 310.829 2.044 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@@H](C)N(C)C(=O)[C@H](C)C#N ZINC001421875466 1172077442 /nfs/dbraw/zinc/07/74/42/1172077442.db2.gz UFYDBMMJTOCUID-VXGBXAGGSA-N 0 3 323.824 2.445 20 30 DEEDHN CN1CCN(C[C@@H](O)c2cccc(C#N)c2)C[C@@H]1C(C)(C)C ZINC001422004633 1172224389 /nfs/dbraw/zinc/22/43/89/1172224389.db2.gz LYQCZBLLTFRJAX-IAGOWNOFSA-N 0 3 301.434 2.254 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccccn1)C1CCCCC1 ZINC001422039472 1172247670 /nfs/dbraw/zinc/24/76/70/1172247670.db2.gz XCVCLXIGQDVYEZ-RHSMWYFYSA-N 0 3 314.433 2.396 20 30 DEEDHN CC(C)C[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001422291501 1172459513 /nfs/dbraw/zinc/45/95/13/1172459513.db2.gz JQLLLCPNRLDMQW-QZTJIDSGSA-N 0 3 301.434 2.254 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)C1CCCC1 ZINC001422452656 1172604452 /nfs/dbraw/zinc/60/44/52/1172604452.db2.gz JNBIWYMHAFKVQQ-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](CNC(=O)CC1CC1)N(C)Cc1ccc(OCC#N)cc1 ZINC001422465779 1172614515 /nfs/dbraw/zinc/61/45/15/1172614515.db2.gz HCZATRWDPCXDEW-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)[C@H]2CCCO2)C1 ZINC001422910574 1172921148 /nfs/dbraw/zinc/92/11/48/1172921148.db2.gz ZWLNILQJJPDGGX-CYUUQNCZSA-N 0 3 314.857 2.429 20 30 DEEDHN CN(C/C=C/Cl)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001422930314 1172949056 /nfs/dbraw/zinc/94/90/56/1172949056.db2.gz HZRFUYXVZWIYFD-FARCUNLSSA-N 0 3 306.797 2.175 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccns1)NCc1ccc(C#N)s1 ZINC001423089716 1173070268 /nfs/dbraw/zinc/07/02/68/1173070268.db2.gz SXOSCJZOGIVCDY-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NCc1ccc(F)c(C#N)c1 ZINC001423135093 1173102878 /nfs/dbraw/zinc/10/28/78/1173102878.db2.gz ZMASYGDOCCBAKR-ZOWXZIJZSA-N 0 3 303.381 2.290 20 30 DEEDHN CCc1oncc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001423270549 1173196441 /nfs/dbraw/zinc/19/64/41/1173196441.db2.gz GPFFWSSREYJSDW-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001424698807 1173875630 /nfs/dbraw/zinc/87/56/30/1173875630.db2.gz HMACRPPJQRMDSS-HIFRSBDPSA-N 0 3 313.873 2.004 20 30 DEEDHN Cc1nc(C)c(CNC2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)o1 ZINC001424851208 1173988554 /nfs/dbraw/zinc/98/85/54/1173988554.db2.gz ILXGDACVKDLUIZ-QGLTVNCISA-N 0 3 318.421 2.310 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(O)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001434475480 1178627232 /nfs/dbraw/zinc/62/72/32/1178627232.db2.gz KWQYXSXYXVILQB-KBPBESRZSA-N 0 3 323.437 2.030 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001436683786 1179185465 /nfs/dbraw/zinc/18/54/65/1179185465.db2.gz JEUQLZGZMHWRRD-RHSMWYFYSA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c(F)cncc1F)C(C)C ZINC001438803348 1180817554 /nfs/dbraw/zinc/81/75/54/1180817554.db2.gz XHPGOZIOEBVZNP-LBPRGKRZSA-N 0 3 317.767 2.456 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccns1 ZINC001439325791 1181023191 /nfs/dbraw/zinc/02/31/91/1181023191.db2.gz AQUBYRWRNHOQCW-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN CC(C)OCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001440306074 1181438224 /nfs/dbraw/zinc/43/82/24/1181438224.db2.gz IBSJNWMALQRXBA-UHFFFAOYSA-N 0 3 321.446 2.173 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2cncs2)CC(C)(C)C1 ZINC001440537854 1181588042 /nfs/dbraw/zinc/58/80/42/1181588042.db2.gz REYGGNXXLMHKII-OLZOCXBDSA-N 0 3 320.462 2.410 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001440997441 1181819909 /nfs/dbraw/zinc/81/99/09/1181819909.db2.gz NYYIKNVNLIBLBC-LSDHHAIUSA-N 0 3 324.856 2.385 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2[nH]cnc2C)CCCCC1 ZINC001441105542 1181849356 /nfs/dbraw/zinc/84/93/56/1181849356.db2.gz GAXBOSCIICAPRN-UHFFFAOYSA-N 0 3 324.856 2.422 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001441364052 1181957380 /nfs/dbraw/zinc/95/73/80/1181957380.db2.gz IJRXJHXXNDUXBO-JOCQHMNTSA-N 0 3 324.856 2.394 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COc2ccc(OC)cc2)C1 ZINC001441432418 1181991601 /nfs/dbraw/zinc/99/16/01/1181991601.db2.gz UZTXBSVYVLOOJP-JOCQHMNTSA-N 0 3 324.808 2.063 20 30 DEEDHN C[C@@H](CNC(=O)C[C@@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001441800482 1182169656 /nfs/dbraw/zinc/16/96/56/1182169656.db2.gz ZTAUCZWRNIXOMS-STQMWFEESA-N 0 3 321.446 2.173 20 30 DEEDHN COc1cccc(Cl)c1CN[C@H](C)CCNC(=O)[C@@H](C)C#N ZINC001442243018 1182387413 /nfs/dbraw/zinc/38/74/13/1182387413.db2.gz MULXESLGYOTJJJ-NWDGAFQWSA-N 0 3 323.824 2.493 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccnc2ccncc21 ZINC001442283219 1182404844 /nfs/dbraw/zinc/40/48/44/1182404844.db2.gz BLYDPJFJMSBJJJ-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN CN(C/C=C\Cl)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001443346665 1182945715 /nfs/dbraw/zinc/94/57/15/1182945715.db2.gz STESHGHOLXGIIW-UQCOIBPSSA-N 0 3 320.824 2.423 20 30 DEEDHN C[C@H](CNCc1csc(C(C)(C)C)n1)CNC(=O)[C@H](C)C#N ZINC001444314658 1183343958 /nfs/dbraw/zinc/34/39/58/1183343958.db2.gz ZPSBPXNLHJXWKW-VXGBXAGGSA-N 0 3 322.478 2.442 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(N(C)C)nc1)C(C)C ZINC001444887231 1183621899 /nfs/dbraw/zinc/62/18/99/1183621899.db2.gz XOMFLPGGLRVSDI-AWEZNQCLSA-N 0 3 324.856 2.244 20 30 DEEDHN CCc1[nH]ccc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001445369035 1183850853 /nfs/dbraw/zinc/85/08/53/1183850853.db2.gz YRBVXQRXAGNIAQ-LLVKDONJSA-N 0 3 316.430 2.418 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1ccon1 ZINC001447965795 1184981907 /nfs/dbraw/zinc/98/19/07/1184981907.db2.gz JKLRAQBDKQOLHX-UHFFFAOYSA-N 0 3 313.829 2.434 20 30 DEEDHN C[C@@H](CN(C)C(=O)Cc1ccoc1)NCc1ccc(C#N)s1 ZINC001448660971 1185351480 /nfs/dbraw/zinc/35/14/80/1185351480.db2.gz WDORNGCALDTEIB-LBPRGKRZSA-N 0 3 317.414 2.392 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(/C=C\C(=O)OC)o1 ZINC001448874459 1185444780 /nfs/dbraw/zinc/44/47/80/1185444780.db2.gz QVEXPTKQTWUSPL-NTMALXAHSA-N 0 3 320.389 2.046 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)c1cnc2n1CCC2)C(C)(C)C ZINC001449288620 1185625106 /nfs/dbraw/zinc/62/51/06/1185625106.db2.gz FJJVHFIJIPDFKL-CYBMUJFWSA-N 0 3 324.856 2.316 20 30 DEEDHN CCN(C(=O)C#CCOC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001347374695 1151060004 /nfs/dbraw/zinc/06/00/04/1151060004.db2.gz UANCTUMFIYEOKK-SJLPKXTDSA-N 0 3 314.429 2.320 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)CCCOC(C)C)CCC[C@H]12 ZINC001332122095 1149822259 /nfs/dbraw/zinc/82/22/59/1149822259.db2.gz ZYTUYONZLMBSKM-WMZOPIPTSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)/C=C/c2ccc[nH]2)[C@H]1C ZINC001332176141 1149830465 /nfs/dbraw/zinc/83/04/65/1149830465.db2.gz LFJBQCDJDKDLKY-HMOMSXHPSA-N 0 3 317.433 2.200 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCOCC(F)(F)F)[C@@H]1C ZINC001332183098 1149831592 /nfs/dbraw/zinc/83/15/92/1149831592.db2.gz ALGBICJGVYMUBB-NWDGAFQWSA-N 0 3 308.344 2.111 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2nccn2C)C1 ZINC001332294370 1149845646 /nfs/dbraw/zinc/84/56/46/1149845646.db2.gz UMXXRANIHPZONE-LSDHHAIUSA-N 0 3 318.465 2.397 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)CC1(C)C ZINC001332386586 1149856029 /nfs/dbraw/zinc/85/60/29/1149856029.db2.gz GJAYSRGYTUCAPQ-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](N[C@H](C)C(=O)NCCC)C(C)(C)C1 ZINC001332413536 1149858076 /nfs/dbraw/zinc/85/80/76/1149858076.db2.gz OPMLSOMEKAKGAD-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC2(C)C)CC1(C)C ZINC001332413475 1149858160 /nfs/dbraw/zinc/85/81/60/1149858160.db2.gz NYEZBJZNSHWAKV-JKSUJKDBSA-N 0 3 320.477 2.289 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)[C@H]2CCCC2(C)C)CC1(C)C ZINC001332413466 1149858180 /nfs/dbraw/zinc/85/81/80/1149858180.db2.gz NYEZBJZNSHWAKV-CVEARBPZSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc(OC)c(F)c3)C2)C1 ZINC001072902565 790295892 /nfs/dbraw/zinc/29/58/92/790295892.db2.gz QFLGPKFWVLZESJ-UHFFFAOYSA-N 0 3 318.392 2.097 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)ccc3OC)C2)C1 ZINC001072902845 790296038 /nfs/dbraw/zinc/29/60/38/790296038.db2.gz CYKCPTRCLLJFPT-UHFFFAOYSA-N 0 3 300.402 2.338 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cccc(Cl)c1C ZINC001332633936 1149875100 /nfs/dbraw/zinc/87/51/00/1149875100.db2.gz UXIQNKYFPQXIDU-ZDUSSCGKSA-N 0 3 310.825 2.199 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cc(CC)n(C)n1)C(C)C ZINC001332741330 1149887403 /nfs/dbraw/zinc/88/74/03/1149887403.db2.gz XDCSTBHDSCMMBY-UHFFFAOYSA-N 0 3 306.454 2.341 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC001333116513 1150002582 /nfs/dbraw/zinc/00/25/82/1150002582.db2.gz ULIRVSNBOOSOGR-JTTJXQCZSA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2occc2C)CC1 ZINC001333290732 1150027507 /nfs/dbraw/zinc/02/75/07/1150027507.db2.gz IVXVSYILWQMFTL-UHFFFAOYSA-N 0 3 304.390 2.153 20 30 DEEDHN CC[C@@H](C(=O)N[C@H](C)CCNc1cccc(F)c1C#N)N(C)C ZINC001106389224 782682271 /nfs/dbraw/zinc/68/22/71/782682271.db2.gz GXNAIQJGQUDTLP-WBMJQRKESA-N 0 3 320.412 2.344 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106710962 782873707 /nfs/dbraw/zinc/87/37/07/782873707.db2.gz FHYGPCOBLJMXRY-CHWSQXEVSA-N 0 3 322.478 2.325 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2coc(CC)n2)CC(C)(C)C1 ZINC001089364442 783031671 /nfs/dbraw/zinc/03/16/71/783031671.db2.gz ADBVEYOIXBPQJX-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCOc1ccc(-c2noc([C@H]3CNCCN3C)n2)c(F)c1 ZINC001212224218 783046290 /nfs/dbraw/zinc/04/62/90/783046290.db2.gz CZMBOEOFWBSJFZ-CQSZACIVSA-N 0 3 318.352 2.017 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)sn2)CC(C)(C)C1 ZINC001089371268 783055116 /nfs/dbraw/zinc/05/51/16/783055116.db2.gz YOTZQWYZXJTGSM-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001333432214 1150049972 /nfs/dbraw/zinc/04/99/72/1150049972.db2.gz MBRCQPLBCPVEHS-IRXDYDNUSA-N 0 3 306.450 2.229 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)C[C@H]1C ZINC000947348617 783115012 /nfs/dbraw/zinc/11/50/12/783115012.db2.gz QCSFMONMXFUFIE-UKRRQHHQSA-N 0 3 324.380 2.009 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C2CC2)C[C@@H]1C ZINC000947357820 783116182 /nfs/dbraw/zinc/11/61/82/783116182.db2.gz XARVBVCZPGGRQT-JSGCOSHPSA-N 0 3 302.422 2.066 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000947391883 783124670 /nfs/dbraw/zinc/12/46/70/783124670.db2.gz SDQLUMVZOKSYMG-DZGCQCFKSA-N 0 3 323.396 2.156 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nccc3cccnc32)C[C@H]1C ZINC000947405442 783127163 /nfs/dbraw/zinc/12/71/63/783127163.db2.gz ZRJFCVYAKAXXNO-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc3cccnc3c2)C[C@@H]1C ZINC000947442376 783137607 /nfs/dbraw/zinc/13/76/07/783137607.db2.gz UXYARBXNTKQXIL-YJBOKZPZSA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(F)F)ncn2)C[C@@H]1C ZINC000947446382 783138768 /nfs/dbraw/zinc/13/87/68/783138768.db2.gz VDNZUUNXRIDKRH-NWDGAFQWSA-N 0 3 322.359 2.020 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C ZINC000947449805 783139729 /nfs/dbraw/zinc/13/97/29/783139729.db2.gz KGOIHVFYEKMAQJ-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN 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C=CCN1C[C@@H]2CCN(C(=O)c3cccc(OCC)c3)[C@@H]2C1 ZINC001076294491 781205483 /nfs/dbraw/zinc/20/54/83/781205483.db2.gz NVOSTJCWUROUCQ-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)[C@@H]2C1 ZINC001076333418 781223859 /nfs/dbraw/zinc/22/38/59/781223859.db2.gz YZUIPPIMZDVKLW-UKNAQKAOSA-N 0 3 308.425 2.291 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4sccc4[nH]3)[C@@H]2C1 ZINC001076426239 781261036 /nfs/dbraw/zinc/26/10/36/781261036.db2.gz SVULIJJIUSRUJP-SWLSCSKDSA-N 0 3 313.426 2.399 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001076530692 781299149 /nfs/dbraw/zinc/29/91/49/781299149.db2.gz ATTVGKHDYWAOIG-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076575396 781314422 /nfs/dbraw/zinc/31/44/22/781314422.db2.gz PCVNZFVAJYUPLU-YESZJQIVSA-N 0 3 316.449 2.170 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H]1C ZINC001088836571 781380202 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CC#CCN1CC[C@@H](NC(=O)Cn2cc3ccccc3n2)C[C@H]1C ZINC000947936914 783272995 /nfs/dbraw/zinc/27/29/95/783272995.db2.gz YYUOUKQULUPTRJ-NVXWUHKLSA-N 0 3 324.428 2.029 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001089627666 783294105 /nfs/dbraw/zinc/29/41/05/783294105.db2.gz ARHLFIUVXGAHBG-HNNXBMFYSA-N 0 3 300.406 2.293 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)C[C@H]1C ZINC000948045266 783302245 /nfs/dbraw/zinc/30/22/45/783302245.db2.gz YAEWURPNRIZIEZ-ZIAGYGMSSA-N 0 3 316.449 2.447 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1CC ZINC001089734452 783399686 /nfs/dbraw/zinc/39/96/86/783399686.db2.gz QPUNSXOCNLLWHK-IAGOWNOFSA-N 0 3 319.493 2.101 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc3cccn3cn2)CC1 ZINC000948541851 783494881 /nfs/dbraw/zinc/49/48/81/783494881.db2.gz JCCJJZUEXGENMR-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)C(C)(C)c2cccnc2)CC1 ZINC000948569693 783506742 /nfs/dbraw/zinc/50/67/42/783506742.db2.gz 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C=CCN1CC[C@@H]1CN(C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001085725614 784008702 /nfs/dbraw/zinc/00/87/02/784008702.db2.gz BDAYNPXRZXVVJU-SNVBAGLBSA-N 0 3 316.327 2.069 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085742001 784028308 /nfs/dbraw/zinc/02/83/08/784028308.db2.gz FZOUHSQUKSFFIE-INIZCTEOSA-N 0 3 316.449 2.460 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C[C@H](CC)OC)cc1 ZINC001085757504 784048063 /nfs/dbraw/zinc/04/80/63/784048063.db2.gz ISXUJTAAJAUWJN-MSOLQXFVSA-N 0 3 314.429 2.239 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085759027 784049005 /nfs/dbraw/zinc/04/90/05/784049005.db2.gz XAOLAWPMLFICNO-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)[C@H](C)C1 ZINC001073976756 790993428 /nfs/dbraw/zinc/99/34/28/790993428.db2.gz GFVWNLLCCJRAIC-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCN1CCC(NC(=O)/C=C/C(=O)c2ccccc2)CC1 ZINC001144710798 791001307 /nfs/dbraw/zinc/00/13/07/791001307.db2.gz 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/nfs/dbraw/zinc/28/12/26/784281226.db2.gz QMIKBLVVLYOCDD-GDBMZVCRSA-N 0 3 316.449 2.014 20 30 DEEDHN C[C@@H](C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC000968329546 784292961 /nfs/dbraw/zinc/29/29/61/784292961.db2.gz JVEGLGVRIRIXSG-MLGOLLRUSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968414035 784369882 /nfs/dbraw/zinc/36/98/82/784369882.db2.gz OQZODQYDNBRUNX-IUODEOHRSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccn3ccnc23)C1 ZINC000968413625 784371025 /nfs/dbraw/zinc/37/10/25/784371025.db2.gz MHVKMEQEWLKAKF-ZBFHGGJFSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(C3CCC3)c2)C1 ZINC001086086494 784398334 /nfs/dbraw/zinc/39/83/34/784398334.db2.gz SGRVSWQRUMSCMT-XBXGTLAGSA-N 0 3 322.840 2.459 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001086164225 784457355 /nfs/dbraw/zinc/45/73/55/784457355.db2.gz DYLMXYWDYXUGBP-BJHJDKERSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968605684 784496591 /nfs/dbraw/zinc/49/65/91/784496591.db2.gz CBNDDWHYGFZKBD-MLGOLLRUSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968610588 784499471 /nfs/dbraw/zinc/49/94/71/784499471.db2.gz RBSPJYRGBCGLMA-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccn3ccnc23)C1 ZINC001086224648 784501134 /nfs/dbraw/zinc/50/11/34/784501134.db2.gz BTQRTASNGQEHCM-BETUJISGSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713292 784551206 /nfs/dbraw/zinc/55/12/06/784551206.db2.gz MXQADXJAKDSBLP-MAUKXSAKSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC000968713385 784552160 /nfs/dbraw/zinc/55/21/60/784552160.db2.gz OMGCVDOJAWLIDV-WMLDXEAASA-N 0 3 316.449 2.236 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001086298041 784557177 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C#CCCN1CCC[C@@H](NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001007556120 784949219 /nfs/dbraw/zinc/94/92/19/784949219.db2.gz WLIKCCRCTXZARI-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001007874674 785032630 /nfs/dbraw/zinc/03/26/30/785032630.db2.gz GITALRVXUSTZTA-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1coc(C2CCC2)n1 ZINC001156264465 785084783 /nfs/dbraw/zinc/08/47/83/785084783.db2.gz SQAQJJSIQKHIRE-CYBMUJFWSA-N 0 3 303.406 2.406 20 30 DEEDHN CCOC(=O)[C@@H]1CC[C@H](N(C)Cc2cccc(C#N)c2)CO1 ZINC001169414862 785179063 /nfs/dbraw/zinc/17/90/63/785179063.db2.gz BTNDOYBEHYPVSH-HOTGVXAUSA-N 0 3 302.374 2.101 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001169433979 785197021 /nfs/dbraw/zinc/19/70/21/785197021.db2.gz FPSGLIWVJHQPMT-UHFFFAOYSA-N 0 3 306.797 2.333 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001008765068 785298832 /nfs/dbraw/zinc/29/88/32/785298832.db2.gz JOVKSIPLZMHULQ-OAHLLOKOSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1ccnc(OC)n1 ZINC001169707190 785317966 /nfs/dbraw/zinc/31/79/66/785317966.db2.gz YRHUYGXYNIRNRV-AWEZNQCLSA-N 0 3 320.437 2.216 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1C[C@@]1(C)CC ZINC001169754063 785349285 /nfs/dbraw/zinc/34/92/85/785349285.db2.gz LREQVSBROPWXNR-DGCLKSJQSA-N 0 3 303.244 2.427 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001009363455 785438473 /nfs/dbraw/zinc/43/84/73/785438473.db2.gz ADNSXZHYDVIJAY-SJLPKXTDSA-N 0 3 312.413 2.252 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](CCC)OC)C[C@H](C)O2 ZINC001111547140 785472682 /nfs/dbraw/zinc/47/26/82/785472682.db2.gz JGTOSSOGPVBDTB-HOTGVXAUSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427146 785868851 /nfs/dbraw/zinc/86/88/51/785868851.db2.gz PYVBVHKGZPVWTF-QPSCCSFWSA-N 0 3 313.873 2.047 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)[C@@H](O)C1 ZINC001090433490 786129250 /nfs/dbraw/zinc/12/92/50/786129250.db2.gz QSLPRKHRDLKZNX-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C#CCOCCC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112843985 786253826 /nfs/dbraw/zinc/25/38/26/786253826.db2.gz PXVKVLJHUSBXGP-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2=COCCC2)C1 ZINC001086578209 786403292 /nfs/dbraw/zinc/40/32/92/786403292.db2.gz CEQCYPJTPVNGNF-RBUKOAKNSA-N 0 3 324.424 2.288 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC001113155475 786420116 /nfs/dbraw/zinc/42/01/16/786420116.db2.gz QYSCPNIZMLJADK-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001014432955 786584481 /nfs/dbraw/zinc/58/44/81/786584481.db2.gz ZKIKGJROHAPFQY-CQSZACIVSA-N 0 3 303.406 2.316 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001014444292 786587685 /nfs/dbraw/zinc/58/76/85/786587685.db2.gz QDLLTBUHCMQGOZ-OCCSQVGLSA-N 0 3 321.446 2.375 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001014529939 786621986 /nfs/dbraw/zinc/62/19/86/786621986.db2.gz RWISMCKYJNHBGD-HZPDHXFCSA-N 0 3 300.402 2.147 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(OC)cc2C)C1 ZINC001014558466 786638706 /nfs/dbraw/zinc/63/87/06/786638706.db2.gz KAXBHARYEOFHLB-MRXNPFEDSA-N 0 3 302.418 2.313 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCC(C)CC1)C2 ZINC001111501409 786700369 /nfs/dbraw/zinc/70/03/69/786700369.db2.gz AOIUKLRCJDBJTG-GNBAHCQZSA-N 0 3 318.461 2.327 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CNC(=O)C(CC)CC)CC1 ZINC001113755181 786799043 /nfs/dbraw/zinc/79/90/43/786799043.db2.gz XGYSHFHQPVTBRL-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001014965995 786831220 /nfs/dbraw/zinc/83/12/20/786831220.db2.gz XFURAURAGMFRNW-INIZCTEOSA-N 0 3 309.369 2.169 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ncoc1C1CC1 ZINC001170171805 786839006 /nfs/dbraw/zinc/83/90/06/786839006.db2.gz MIWVIQHRKHYKCR-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001015005716 786853910 /nfs/dbraw/zinc/85/39/10/786853910.db2.gz WMSXXTYTBBMFRJ-SECBINFHSA-N 0 3 303.284 2.074 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001015110709 786900201 /nfs/dbraw/zinc/90/02/01/786900201.db2.gz DDMDEWAOEZSAEE-CQSZACIVSA-N 0 3 312.373 2.117 20 30 DEEDHN CCCCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001157717833 786907620 /nfs/dbraw/zinc/90/76/20/786907620.db2.gz HQRJRVNFLSDDCW-HZPDHXFCSA-N 0 3 309.454 2.276 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001015425165 787047612 /nfs/dbraw/zinc/04/76/12/787047612.db2.gz QSCFUXJMRTWGLK-ZDUSSCGKSA-N 0 3 314.389 2.220 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001015452412 787059307 /nfs/dbraw/zinc/05/93/07/787059307.db2.gz MYLQGYZCIBQXMZ-GFCCVEGCSA-N 0 3 301.346 2.315 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001015457701 787062038 /nfs/dbraw/zinc/06/20/38/787062038.db2.gz WMZUTWFOWNOGJS-CQSZACIVSA-N 0 3 311.385 2.321 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3C(NC(=O)/C=C/C4CC4)[C@@H]3C2)cc1 ZINC001114117631 787106778 /nfs/dbraw/zinc/10/67/78/787106778.db2.gz QRYNCGMAAUTJNQ-CPQXRSILSA-N 0 3 307.397 2.071 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001170438612 787148778 /nfs/dbraw/zinc/14/87/78/787148778.db2.gz MOHSIRISWCLJDI-CXAGYDPISA-N 0 3 323.437 2.075 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001015678948 787183444 /nfs/dbraw/zinc/18/34/44/787183444.db2.gz RAKUBMPAUUYGBY-OAHLLOKOSA-N 0 3 312.413 2.445 20 30 DEEDHN C=CCCCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC=C)C1 ZINC001130416119 787385240 /nfs/dbraw/zinc/38/52/40/787385240.db2.gz XPJFYBOOEFAGTK-CQSZACIVSA-N 0 3 302.422 2.358 20 30 DEEDHN CCc1cccnc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001130625566 787444414 /nfs/dbraw/zinc/44/44/14/787444414.db2.gz DLRLDUNAEOLHDB-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN CCc1cccnc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001130628722 787446943 /nfs/dbraw/zinc/44/69/43/787446943.db2.gz GIIQGDGGWBBFGE-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(C#N)cc1)c1cccnc1 ZINC001130636736 787448692 /nfs/dbraw/zinc/44/86/92/787448692.db2.gz GRTOJROTOPLVFZ-UHFFFAOYSA-N 0 3 322.412 2.137 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)/C(C)=C/C)n1 ZINC001130869002 787492532 /nfs/dbraw/zinc/49/25/32/787492532.db2.gz UPAYLVRQEXFZCD-MXSUSHOISA-N 0 3 318.421 2.063 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)C[C@@H](CC)CCCC)C1=O ZINC001131485262 787634488 /nfs/dbraw/zinc/63/44/88/787634488.db2.gz XQRLOQLRHNMTOI-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCCOC)C[C@H](C)O2 ZINC001131641137 787668957 /nfs/dbraw/zinc/66/89/57/787668957.db2.gz ALTXRQHCFGAZKY-WMZOPIPTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)COCCCC)C[C@H](C)O2 ZINC001131642888 787669856 /nfs/dbraw/zinc/66/98/56/787669856.db2.gz XQJOAAWWCPLKJR-FUHWJXTLSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCCNCc1ccc(F)cc1 ZINC001131867406 787782767 /nfs/dbraw/zinc/78/27/67/787782767.db2.gz OWLYYAYCNHMLBH-QGZVFWFLSA-N 0 3 308.397 2.260 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccncc2C)CC[C@@H]1C ZINC001132007283 787888564 /nfs/dbraw/zinc/88/85/64/787888564.db2.gz YKEPHVWJRWIFPA-JKSUJKDBSA-N 0 3 317.433 2.175 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132019747 787896227 /nfs/dbraw/zinc/89/62/27/787896227.db2.gz ABSORBUNTLORFT-JKSUJKDBSA-N 0 3 306.450 2.184 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(COC)CCCC2)CC[C@@H]1C ZINC001132101386 787926943 /nfs/dbraw/zinc/92/69/43/787926943.db2.gz KLJVQSVTVVWZLW-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCOCC)C2)CCC1 ZINC001132101363 787927505 /nfs/dbraw/zinc/92/75/05/787927505.db2.gz KHJDJOKODYFCAS-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCc2ncc(C)o2)CC[C@H]1C ZINC001132087028 787929010 /nfs/dbraw/zinc/92/90/10/787929010.db2.gz LSHVAFREYOOJNC-UKRRQHHQSA-N 0 3 305.422 2.461 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2cncc(C)c2)CC[C@H]1C ZINC001132168400 787949670 /nfs/dbraw/zinc/94/96/70/787949670.db2.gz CBWIJYXPIINEHG-NVXWUHKLSA-N 0 3 301.434 2.478 20 30 DEEDHN COc1csc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001132246288 787985593 /nfs/dbraw/zinc/98/55/93/787985593.db2.gz XFQVOWCUYHBZRX-UHFFFAOYSA-N 0 3 315.398 2.148 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCO[C@H]1C(C)C)C2 ZINC001097098142 787985773 /nfs/dbraw/zinc/98/57/73/787985773.db2.gz CEDGEMCUGUKGMQ-WKULXVSPSA-N 0 3 318.461 2.182 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cn(C)nc2C)CC[C@@H]1C ZINC001132339989 788037671 /nfs/dbraw/zinc/03/76/71/788037671.db2.gz LMPVEFUPMYUADK-WMLDXEAASA-N 0 3 318.465 2.206 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc(C)oc3c1)C2 ZINC001097263649 788041170 /nfs/dbraw/zinc/04/11/70/788041170.db2.gz VTQPUXPFFXZZBU-OIISXLGYSA-N 0 3 323.396 2.495 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCOC2CCOCC2)CC[C@@H]1C ZINC001132417098 788067307 /nfs/dbraw/zinc/06/73/07/788067307.db2.gz RNHIRQGFGMJNGL-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccc(F)cc2)CC[C@H]1C ZINC001132478626 788095320 /nfs/dbraw/zinc/09/53/20/788095320.db2.gz MFYRBXLBXLDLCB-GDBMZVCRSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001097449939 788099076 /nfs/dbraw/zinc/09/90/76/788099076.db2.gz XIAPJJRLVQHDBM-NXHRZFHOSA-N 0 3 309.413 2.317 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCn2cc(Cl)cn2)CC[C@@H]1C ZINC001132505551 788108701 /nfs/dbraw/zinc/10/87/01/788108701.db2.gz SZBGDKYELLZCBT-JSGCOSHPSA-N 0 3 310.829 2.082 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CN(C)Cc2ccccc2)CC[C@H]1C ZINC001132541313 788118383 /nfs/dbraw/zinc/11/83/83/788118383.db2.gz CVMAMHLASMIAOY-AEFFLSMTSA-N 0 3 315.461 2.274 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)C1(CCC)CCC1 ZINC001132564343 788131466 /nfs/dbraw/zinc/13/14/66/788131466.db2.gz DKADJECBVMFWQP-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1N(C)C ZINC001132569835 788134207 /nfs/dbraw/zinc/13/42/07/788134207.db2.gz ZIBLSHNQUFCEPA-HUUCEWRRSA-N 0 3 303.450 2.417 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc2nonc2c1 ZINC001132660052 788157611 /nfs/dbraw/zinc/15/76/11/788157611.db2.gz IGIKYYKLAKSOQS-GFCCVEGCSA-N 0 3 302.378 2.031 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCC(=O)N1CCCCCCC1 ZINC001132663249 788158902 /nfs/dbraw/zinc/15/89/02/788158902.db2.gz SPMPBNPYGFOUGK-MRXNPFEDSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001132859538 788210277 /nfs/dbraw/zinc/21/02/77/788210277.db2.gz FEPJDXQZDCNSDY-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCC(=O)NCCN[C@H](C)C(=O)NCC1CCCCC1 ZINC001133144866 788299939 /nfs/dbraw/zinc/29/99/39/788299939.db2.gz FPWUFGQQXIIQHL-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@@H](CNCC#N)C1 ZINC001133185297 788310436 /nfs/dbraw/zinc/31/04/36/788310436.db2.gz AXILFSHNNUNQRC-IRXDYDNUSA-N 0 3 322.497 2.096 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@H](CNCC#N)C1 ZINC001133185296 788311112 /nfs/dbraw/zinc/31/11/12/788311112.db2.gz AXILFSHNNUNQRC-IAGOWNOFSA-N 0 3 322.497 2.096 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccc(C)o1)C2 ZINC001097993145 788315080 /nfs/dbraw/zinc/31/50/80/788315080.db2.gz HAPWAXHDBNMPET-JJXSEGSLSA-N 0 3 300.402 2.436 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139531391 788321448 /nfs/dbraw/zinc/32/14/48/788321448.db2.gz ZKWQHUPAROKFKK-UHFFFAOYSA-N 0 3 305.397 2.242 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)s1)C(F)(F)F ZINC001133227633 788324105 /nfs/dbraw/zinc/32/41/05/788324105.db2.gz HDBAGIJDBWWPML-SECBINFHSA-N 0 3 319.352 2.414 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnn(CCCC)c1C ZINC001170683237 788398154 /nfs/dbraw/zinc/39/81/54/788398154.db2.gz UTVDYJLYCOXHPX-UHFFFAOYSA-N 0 3 312.845 2.454 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2occc2Cl)c1 ZINC001133434671 788429866 /nfs/dbraw/zinc/42/98/66/788429866.db2.gz YHMNOJQCROKNSV-UHFFFAOYSA-N 0 3 303.749 2.324 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2ccc(Cl)[nH]2)ccc1F ZINC001133500982 788455261 /nfs/dbraw/zinc/45/52/61/788455261.db2.gz PPCRLCHJFDYBKA-UHFFFAOYSA-N 0 3 320.755 2.198 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@]23C[C@@H]2CCCC3)cc1F ZINC001133546909 788481055 /nfs/dbraw/zinc/48/10/55/788481055.db2.gz KYGLNXAITYRVOX-YJBOKZPZSA-N 0 3 315.392 2.483 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCC)nc2)CC1 ZINC000106035998 788481227 /nfs/dbraw/zinc/48/12/27/788481227.db2.gz MAOWTTJGAZMNHV-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)CSCC#N)NC/C(Cl)=C\Cl ZINC001133735341 788586752 /nfs/dbraw/zinc/58/67/52/788586752.db2.gz CPNHIHFSCFLREG-CZHASVRMSA-N 0 3 324.277 2.435 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ocnc2C(F)F)cc1 ZINC001133928688 788680778 /nfs/dbraw/zinc/68/07/78/788680778.db2.gz FMPBQQVDJSJDJB-UHFFFAOYSA-N 0 3 320.299 2.003 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)cn1 ZINC001134119220 788770629 /nfs/dbraw/zinc/77/06/29/788770629.db2.gz NGCNQTKDIVXZKG-HUUCEWRRSA-N 0 3 316.449 2.352 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(OC)no1 ZINC001134119746 788771395 /nfs/dbraw/zinc/77/13/95/788771395.db2.gz XEZQOQSVYKCYNA-KBPBESRZSA-N 0 3 321.421 2.250 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1snnc1C ZINC001134206165 788800331 /nfs/dbraw/zinc/80/03/31/788800331.db2.gz PSJMBBBFQNMAJA-NEPJUHHUSA-N 0 3 308.451 2.023 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001134318997 788864811 /nfs/dbraw/zinc/86/48/11/788864811.db2.gz WRZQIDYRFMIXLT-JKSUJKDBSA-N 0 3 318.465 2.496 20 30 DEEDHN Cc1cc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)ncn1 ZINC001134329515 788874480 /nfs/dbraw/zinc/87/44/80/788874480.db2.gz OQYUHMTVGQCXAO-DZGCQCFKSA-N 0 3 316.449 2.207 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001134352958 788881465 /nfs/dbraw/zinc/88/14/65/788881465.db2.gz UZXXOXPQAHMMPO-QJHSLEFKSA-N 0 3 321.248 2.218 20 30 DEEDHN C[C@H]1CC[C@@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001134738086 789056651 /nfs/dbraw/zinc/05/66/51/789056651.db2.gz GHKIPSXRDHAIPK-GXTWGEPZSA-N 0 3 303.381 2.339 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1C ZINC001135189404 789229780 /nfs/dbraw/zinc/22/97/80/789229780.db2.gz ZFIZJEYZHCSCBA-CVEARBPZSA-N 0 3 318.465 2.377 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001135224537 789247829 /nfs/dbraw/zinc/24/78/29/789247829.db2.gz FLHSAGAJRTZRBL-GOEBONIOSA-N 0 3 316.449 2.352 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cncc(OC)n1 ZINC001135236523 789254694 /nfs/dbraw/zinc/25/46/94/789254694.db2.gz UDESUXBMBFAEDF-OLZOCXBDSA-N 0 3 320.437 2.070 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccccc2C)C[C@H]1c1cn(C)cn1 ZINC001070462394 789338276 /nfs/dbraw/zinc/33/82/76/789338276.db2.gz CWWKDSHHZXZJDH-FUHWJXTLSA-N 0 3 324.428 2.112 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)[C@](C)(CC)CCC ZINC001135858852 789535578 /nfs/dbraw/zinc/53/55/78/789535578.db2.gz FLXWOWXZIQLJOL-GOSISDBHSA-N 0 3 323.481 2.109 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC1CCC1)C[C@H](C)O2 ZINC001071151751 789561636 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C=CCCC1(C(=O)N[C@@H]2CCN(CC=C(C)C)C[C@@H]2O)CC1 ZINC001099999066 792436721 /nfs/dbraw/zinc/43/67/21/792436721.db2.gz REZOKHBNMDTNPO-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN CC(C)N1CCC[C@@H]1C(=O)NCCNc1cccc(F)c1C#N ZINC001093879360 792631910 /nfs/dbraw/zinc/63/19/10/792631910.db2.gz GEKYSNUEHXXJBF-MRXNPFEDSA-N 0 3 318.396 2.098 20 30 DEEDHN C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001171446110 792927770 /nfs/dbraw/zinc/92/77/70/792927770.db2.gz XCXNSOPOSZKROI-CYBMUJFWSA-N 0 3 306.410 2.027 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C)n(C)c3C)CCC[C@@H]12 ZINC001094574223 792988554 /nfs/dbraw/zinc/98/85/54/792988554.db2.gz WKPOTEBLPIFMPQ-IEBWSBKVSA-N 0 3 313.445 2.250 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)/C(C)=C\C)c2)C1 ZINC001101092093 793013479 /nfs/dbraw/zinc/01/34/79/793013479.db2.gz LYXHWBSLIKGBSZ-OTMHGDBASA-N 0 3 315.417 2.303 20 30 DEEDHN C=CCCC(=O)NCc1cc(O[C@@H]2CCN(CC=C)C2)ccn1 ZINC001101091170 793013669 /nfs/dbraw/zinc/01/36/69/793013669.db2.gz WTSDNNNDKPLORW-QGZVFWFLSA-N 0 3 315.417 2.303 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170488 793052790 /nfs/dbraw/zinc/05/27/90/793052790.db2.gz IBVKNUVXYMGWGB-SCTDSRPQSA-N 0 3 320.477 2.099 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCO[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101232052 793078542 /nfs/dbraw/zinc/07/85/42/793078542.db2.gz GJDOWFKEPBGVFX-SCTDSRPQSA-N 0 3 320.477 2.241 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101407385 793146343 /nfs/dbraw/zinc/14/63/43/793146343.db2.gz YZPRTWQKQYMHHC-SCTDSRPQSA-N 0 3 320.477 2.099 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@]2(C)C1 ZINC001101433540 793158489 /nfs/dbraw/zinc/15/84/89/793158489.db2.gz WPRBIFCTJITGML-GUTXKFCHSA-N 0 3 316.367 2.379 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001101484026 793178360 /nfs/dbraw/zinc/17/83/60/793178360.db2.gz VFWMVNLTLHPGDD-INMHGKMJSA-N 0 3 312.429 2.108 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)c2cnccn2)C[C@H]1C ZINC001102229841 793536617 /nfs/dbraw/zinc/53/66/17/793536617.db2.gz FYSCJNNDRVHTPR-QLFBSQMISA-N 0 3 316.449 2.434 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001102231472 793538513 /nfs/dbraw/zinc/53/85/13/793538513.db2.gz KJEKYYAZIDSTAP-KBAYOESNSA-N 0 3 316.420 2.470 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102340383 793580230 /nfs/dbraw/zinc/58/02/30/793580230.db2.gz GPDGLZXPZZHXBX-IXDOHACOSA-N 0 3 320.477 2.147 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001102610630 793671311 /nfs/dbraw/zinc/67/13/11/793671311.db2.gz MEAVJJSUXQDCBI-LHHWMGCDSA-N 0 3 300.830 2.014 20 30 DEEDHN COc1cc(N2CCN(C3CCC(CC#N)CC3)CC2)ncn1 ZINC001173337092 793681908 /nfs/dbraw/zinc/68/19/08/793681908.db2.gz YZYGNTWCEZRQPD-UHFFFAOYSA-N 0 3 315.421 2.080 20 30 DEEDHN Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001102784199 793754862 /nfs/dbraw/zinc/75/48/62/793754862.db2.gz OKOBFUULLAFFLG-OUCADQQQSA-N 0 3 320.462 2.185 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001103454100 794098327 /nfs/dbraw/zinc/09/83/27/794098327.db2.gz HGUKAMACMBWRSM-NMFUWQPSSA-N 0 3 314.857 2.381 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001175083045 794135938 /nfs/dbraw/zinc/13/59/38/794135938.db2.gz UJWQCJOAHJAWNO-YOEHRIQHSA-N 0 3 321.469 2.182 20 30 DEEDHN CC[C@H](C(=O)NCC1(Nc2cccc(F)c2C#N)CC1)N(C)C ZINC001110192650 794340870 /nfs/dbraw/zinc/34/08/70/794340870.db2.gz VQICQCDPFAOFEY-OAHLLOKOSA-N 0 3 318.396 2.098 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2C)C1 ZINC001111580366 794437486 /nfs/dbraw/zinc/43/74/86/794437486.db2.gz SOFZLRCHEHSFPU-YJBOKZPZSA-N 0 3 318.417 2.375 20 30 DEEDHN CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(CCOCC(C)C)C2 ZINC001111736420 794462370 /nfs/dbraw/zinc/46/23/70/794462370.db2.gz GQZRSRYZDXTLIQ-HKUYNNGSSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C[C@H](C(=O)NCCCNCc1nccnc1C)c1ccccc1 ZINC001176781687 794493001 /nfs/dbraw/zinc/49/30/01/794493001.db2.gz JWLXCCBRKHCQDQ-KRWDZBQOSA-N 0 3 324.428 2.351 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)c1c(C)noc1C ZINC001114976131 794644520 /nfs/dbraw/zinc/64/45/20/794644520.db2.gz SZTMOQKBVWIIMK-TTZDDIAXSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cccc(OCC)c1 ZINC001115322497 794735348 /nfs/dbraw/zinc/73/53/48/794735348.db2.gz QGQUQMXJSBUIBJ-DZFIZOCASA-N 0 3 314.429 2.250 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001115332275 794738012 /nfs/dbraw/zinc/73/80/12/794738012.db2.gz MENDKPWMTFIAEK-ARLBYUKCSA-N 0 3 320.458 2.194 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCc2ccc(F)cn2)CCCCC1 ZINC001115452206 794777633 /nfs/dbraw/zinc/77/76/33/794777633.db2.gz SZPYTUPKYMWXKQ-CYBMUJFWSA-N 0 3 318.396 2.289 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)O)CCCC1 ZINC001110215191 794787343 /nfs/dbraw/zinc/78/73/43/794787343.db2.gz WYVKUSVPGFDWOO-WCVJEAGWSA-N 0 3 306.450 2.225 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(NCC(=C)Cl)CCCCC1 ZINC001115507908 794804210 /nfs/dbraw/zinc/80/42/10/794804210.db2.gz UUHLEWMSUYHSRG-OAHLLOKOSA-N 0 3 314.857 2.475 20 30 DEEDHN Cc1csc(CNCCCCCCNC(=O)[C@H](C)C#N)n1 ZINC001178049518 794804777 /nfs/dbraw/zinc/80/47/77/794804777.db2.gz CWAKMXFKUKOZTK-GFCCVEGCSA-N 0 3 308.451 2.377 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cn2cncc2C)CCCCC1 ZINC001115630716 794850916 /nfs/dbraw/zinc/85/09/16/794850916.db2.gz WLGNFTWZBLFYDT-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)[C@@H]1C ZINC001178335652 794891640 /nfs/dbraw/zinc/89/16/40/794891640.db2.gz CSPNKFNRLVOGJS-JSGCOSHPSA-N 0 3 323.824 2.017 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ncccc1C(F)F ZINC001178443162 794915931 /nfs/dbraw/zinc/91/59/31/794915931.db2.gz FRMVTZIYGAGCQF-LBPRGKRZSA-N 0 3 309.360 2.328 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001178503648 794945243 /nfs/dbraw/zinc/94/52/43/794945243.db2.gz JPXQEPQNBLHKJI-RDJZCZTQSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)NCCCC)[C@@H]1C ZINC001178794826 794995093 /nfs/dbraw/zinc/99/50/93/794995093.db2.gz CNHXZSYHOXVSDY-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001179313824 795088284 /nfs/dbraw/zinc/08/82/84/795088284.db2.gz MGVPIOKCRDYDIC-RDJZCZTQSA-N 0 3 316.449 2.083 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)[C@@H]1C ZINC001179364404 795106374 /nfs/dbraw/zinc/10/63/74/795106374.db2.gz KDNDWRXAYKCNOW-ILXRZTDVSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NCCCC)[C@@H]1C ZINC001179452175 795117785 /nfs/dbraw/zinc/11/77/85/795117785.db2.gz OGVGWVWMUWFEGJ-PMPSAXMXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)NCC(C)(C)C)[C@@H]1C ZINC001179463405 795119738 /nfs/dbraw/zinc/11/97/38/795119738.db2.gz GHHRJXBRIWOPNU-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179481221 795122764 /nfs/dbraw/zinc/12/27/64/795122764.db2.gz AHUSMPTTXAPKKN-KRWDZBQOSA-N 0 3 321.469 2.482 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001118090707 795152557 /nfs/dbraw/zinc/15/25/57/795152557.db2.gz OFSSMOYHNYXTNS-YPMHNXCESA-N 0 3 305.296 2.409 20 30 DEEDHN CCCCCCCCCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179993991 795216659 /nfs/dbraw/zinc/21/66/59/795216659.db2.gz FBBFXBDAXNNAQT-GJZGRUSLSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001119729571 795346282 /nfs/dbraw/zinc/34/62/82/795346282.db2.gz RCGXFPLQNYJDNH-NVXWUHKLSA-N 0 3 316.401 2.185 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CSCCC)CC1 ZINC001151007015 795416041 /nfs/dbraw/zinc/41/60/41/795416041.db2.gz GEUUBTAYUAYHJA-UHFFFAOYSA-N 0 3 314.495 2.303 20 30 DEEDHN CC(C)OCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181138721 795428896 /nfs/dbraw/zinc/42/88/96/795428896.db2.gz WXWXBUZAHBGNIW-CYBMUJFWSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1C(C)(F)F ZINC001121634021 795664948 /nfs/dbraw/zinc/66/49/48/795664948.db2.gz OOCWVBZARBYBBD-RYUDHWBXSA-N 0 3 313.396 2.495 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC001121894023 795699467 /nfs/dbraw/zinc/69/94/67/795699467.db2.gz CAIRVAVBAMELEA-BPUTZDHNSA-N 0 3 318.417 2.337 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCOc1ccccc1OC ZINC001121925109 795705393 /nfs/dbraw/zinc/70/53/93/795705393.db2.gz PJQJBZNWIHXMGP-CQSZACIVSA-N 0 3 306.406 2.216 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC001121965518 795710290 /nfs/dbraw/zinc/71/02/90/795710290.db2.gz LZJAXLFZWOMRAP-ILXRZTDVSA-N 0 3 311.470 2.225 20 30 DEEDHN C=C(C)C[C@H](NC(=O)c1cc2c(s1)CNCC2)C(=O)OCC ZINC001122213483 795736332 /nfs/dbraw/zinc/73/63/32/795736332.db2.gz GLPGCYSLUWEURF-LBPRGKRZSA-N 0 3 322.430 2.022 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc2n(n1)CCNC2 ZINC001122289707 795744021 /nfs/dbraw/zinc/74/40/21/795744021.db2.gz RZZAQNRDLUORDT-CQSZACIVSA-N 0 3 307.442 2.003 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001122331557 795748479 /nfs/dbraw/zinc/74/84/79/795748479.db2.gz NXVFWWGEDMLEIK-LSDHHAIUSA-N 0 3 300.402 2.462 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccn(C(C)C)n1 ZINC001122498558 795767687 /nfs/dbraw/zinc/76/76/87/795767687.db2.gz OJDORTIORUESCI-AWEZNQCLSA-N 0 3 304.394 2.022 20 30 DEEDHN C=CCN(C)c1nnc([C@H]2CCCN(C)C2)n1CCCOCC ZINC001122571883 795778658 /nfs/dbraw/zinc/77/86/58/795778658.db2.gz WQLLJYDEHSOFOR-HNNXBMFYSA-N 0 3 321.469 2.136 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2ccsc2)ccc1F ZINC001123263020 795882182 /nfs/dbraw/zinc/88/21/82/795882182.db2.gz FNLFRWWBRINFLH-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)C23CCCN2CCC3)cc1C#N ZINC001183556296 795888397 /nfs/dbraw/zinc/88/83/97/795888397.db2.gz DTEVFWXHBXMMAC-UHFFFAOYSA-N 0 3 312.373 2.084 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C/C=C\c2ccccc2F)C1 ZINC001183601946 795901481 /nfs/dbraw/zinc/90/14/81/795901481.db2.gz MTBBNZNGEDFWHX-QKIRZYONSA-N 0 3 300.377 2.443 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC=CCC2)cc1F ZINC001123381295 795903339 /nfs/dbraw/zinc/90/33/39/795903339.db2.gz KDYOUMSJHYXGML-CQSZACIVSA-N 0 3 301.365 2.259 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)s2)c(C)o1 ZINC001123396070 795906476 /nfs/dbraw/zinc/90/64/76/795906476.db2.gz BHWSKTYGHPVEGB-UHFFFAOYSA-N 0 3 303.387 2.349 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCC(=O)N(CCC)CCC)C1 ZINC001185295842 796231805 /nfs/dbraw/zinc/23/18/05/796231805.db2.gz FQIKPCMZVXIOAM-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(CCC(=O)N3C)CC2)cc1 ZINC001138560585 796235321 /nfs/dbraw/zinc/23/53/21/796235321.db2.gz BEXMZGVVEPITCW-UHFFFAOYSA-N 0 3 312.413 2.285 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccccn2)C12CCC2 ZINC001202848142 796244628 /nfs/dbraw/zinc/24/46/28/796244628.db2.gz YBCHYQRKMOXTEC-SJORKVTESA-N 0 3 311.429 2.402 20 30 DEEDHN Cc1ccc(CNC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001185380843 796245399 /nfs/dbraw/zinc/24/53/99/796245399.db2.gz XPJJJIJUNRCZTR-AWEZNQCLSA-N 0 3 302.399 2.479 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)C1 ZINC001185392069 796248054 /nfs/dbraw/zinc/24/80/54/796248054.db2.gz IUZIGXZXYJUBKD-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN Cc1ncoc1CN[C@H]1C[C@@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202878079 796302730 /nfs/dbraw/zinc/30/27/30/796302730.db2.gz QWWFFJDRGAKALH-JKSUJKDBSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCCN(C(=O)C(C)C)C2)nn1 ZINC001185873316 796325051 /nfs/dbraw/zinc/32/50/51/796325051.db2.gz RROOJAFSMJNILE-INIZCTEOSA-N 0 3 319.453 2.153 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(C)c(OCC)c2)C1 ZINC001186048471 796355946 /nfs/dbraw/zinc/35/59/46/796355946.db2.gz IIVRNBWWPLQXMC-MRXNPFEDSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H](NC[C@@H](F)CC)C2)cc1 ZINC001186164153 796363990 /nfs/dbraw/zinc/36/39/90/796363990.db2.gz NEVGEXYYASJWKG-JKSUJKDBSA-N 0 3 318.392 2.251 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnccc3OC)C2)C1=O ZINC001139608371 796401710 /nfs/dbraw/zinc/40/17/10/796401710.db2.gz XZYCQHBUBSWCPJ-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C(C)(C)CC2CCOCC2)C1 ZINC001186710335 796434053 /nfs/dbraw/zinc/43/40/53/796434053.db2.gz BMWRSGFFFVUAPX-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(C(=O)OC)c1 ZINC001139865404 796438504 /nfs/dbraw/zinc/43/85/04/796438504.db2.gz HNNAQDGGSXEEQW-UHFFFAOYSA-N 0 3 304.390 2.053 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cccnn1)[C@@H]2CC ZINC001139972975 796454614 /nfs/dbraw/zinc/45/46/14/796454614.db2.gz YBCZPQIFGYLVDN-AEFFLSMTSA-N 0 3 314.433 2.398 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@@H](n4cncn4)C3)c2c1 ZINC001140115163 796479153 /nfs/dbraw/zinc/47/91/53/796479153.db2.gz OSBGGAOLWBVDQV-OAHLLOKOSA-N 0 3 306.373 2.468 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC001187151720 796494044 /nfs/dbraw/zinc/49/40/44/796494044.db2.gz HMAGNUIRTHSMKH-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN COC(=O)COc1ccccc1CN1CCC[C@H](C#N)CC1 ZINC001140425883 796520701 /nfs/dbraw/zinc/52/07/01/796520701.db2.gz PGTKGBWWZYIUDY-AWEZNQCLSA-N 0 3 302.374 2.364 20 30 DEEDHN N#Cc1ccc(Cl)c(CN2CCC[C@@]3(CCNC3=O)C2)c1 ZINC001140599272 796543118 /nfs/dbraw/zinc/54/31/18/796543118.db2.gz VUIYKWWUIXCEHV-MRXNPFEDSA-N 0 3 303.793 2.314 20 30 DEEDHN CCC1(C(=O)N2CC[C@@H](NCC#CCOC)C2)CCCCC1 ZINC001188040115 796614213 /nfs/dbraw/zinc/61/42/13/796614213.db2.gz MQYAUVDBTDKNFS-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(OC)c(OC)cc1C ZINC000838624044 796671777 /nfs/dbraw/zinc/67/17/77/796671777.db2.gz DGOOZJRPWWFKEK-UHFFFAOYSA-N 0 3 319.405 2.089 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(N2CCCC2)c1 ZINC000838624108 796671912 /nfs/dbraw/zinc/67/19/12/796671912.db2.gz HIOCJZNYKVMMGO-UHFFFAOYSA-N 0 3 314.433 2.363 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cnc(C)nc1)CC2 ZINC001203111437 796674070 /nfs/dbraw/zinc/67/40/70/796674070.db2.gz CSMJJYXCMZAOSJ-GOSISDBHSA-N 0 3 314.433 2.318 20 30 DEEDHN CSc1nc(CN2CCN(CC3CC3)CC2)ccc1C#N ZINC001141938716 796699529 /nfs/dbraw/zinc/69/95/29/796699529.db2.gz GOSDBESGFNMEMX-UHFFFAOYSA-N 0 3 302.447 2.203 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC001188634323 796701410 /nfs/dbraw/zinc/70/14/10/796701410.db2.gz NCCARAFWLBFGFX-INIZCTEOSA-N 0 3 306.381 2.175 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001188894583 796739311 /nfs/dbraw/zinc/73/93/11/796739311.db2.gz DHDHROCOIARLKC-IXDOHACOSA-N 0 3 316.449 2.018 20 30 DEEDHN C=CC1(CC(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CCCCC1 ZINC001189406694 796823419 /nfs/dbraw/zinc/82/34/19/796823419.db2.gz VQOGSLRTYKIYGJ-JKSUJKDBSA-N 0 3 306.450 2.038 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CC2=CCCCC2)C1 ZINC001149389889 796848443 /nfs/dbraw/zinc/84/84/43/796848443.db2.gz BYOYMTCUPPQCPG-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2ccc(CO)cc2)C1 ZINC001189910012 796900454 /nfs/dbraw/zinc/90/04/54/796900454.db2.gz KWCDKJNPPHLLMQ-SFHVURJKSA-N 0 3 314.429 2.015 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001149961017 796909037 /nfs/dbraw/zinc/90/90/37/796909037.db2.gz XIVQLCZOUANBDZ-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001150052838 796916662 /nfs/dbraw/zinc/91/66/62/796916662.db2.gz BGQQNYWBUCSADA-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001190004988 796921234 /nfs/dbraw/zinc/92/12/34/796921234.db2.gz VDAPDVZZGVAJDB-KRWDZBQOSA-N 0 3 308.466 2.241 20 30 DEEDHN Cc1nc(C)c(C(=O)NCCNCc2ccc(C#N)cc2)s1 ZINC001150381615 796939756 /nfs/dbraw/zinc/93/97/56/796939756.db2.gz MHXVCSINVDYUJC-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150411097 796941685 /nfs/dbraw/zinc/94/16/85/796941685.db2.gz UAVMCZONCNMPHA-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN COCc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001150635124 796963076 /nfs/dbraw/zinc/96/30/76/796963076.db2.gz CFICKXPXTMQYIS-UHFFFAOYSA-N 0 3 323.396 2.224 20 30 DEEDHN CC[C@@H](C)[C@H](C(=O)NCCNCC#CCOC)c1ccccc1 ZINC001150640895 796964303 /nfs/dbraw/zinc/96/43/03/796964303.db2.gz CRPFZRXKZPLRPS-AEFFLSMTSA-N 0 3 316.445 2.172 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 ZINC001190699870 797051615 /nfs/dbraw/zinc/05/16/15/797051615.db2.gz ACKNLFNOWKMTSH-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 ZINC001190741056 797067033 /nfs/dbraw/zinc/06/70/33/797067033.db2.gz HQGHKHIXJGSXIV-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)NCCC)CCCCC1 ZINC001151997770 797130027 /nfs/dbraw/zinc/13/00/27/797130027.db2.gz KRDUOUHRNHUSLM-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(C)cn2)C1 ZINC001191468776 797214588 /nfs/dbraw/zinc/21/45/88/797214588.db2.gz OCNOFQXVTWJCST-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001191499734 797220269 /nfs/dbraw/zinc/22/02/69/797220269.db2.gz GHMJJKVPQHDYPA-CHWSQXEVSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001191727251 797248478 /nfs/dbraw/zinc/24/84/78/797248478.db2.gz HWNMGKLFSHUMIN-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCO[C@H]2CC2(F)F)C1 ZINC001191727265 797248706 /nfs/dbraw/zinc/24/87/06/797248706.db2.gz IDQHWVYMBSQKQQ-OLZOCXBDSA-N 0 3 316.392 2.156 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001153012516 797268753 /nfs/dbraw/zinc/26/87/53/797268753.db2.gz MTTVVGUFYQYJHA-KDOFPFPSSA-N 0 3 322.424 2.479 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001191867480 797277753 /nfs/dbraw/zinc/27/77/53/797277753.db2.gz BXXJFUYNQGFYOG-UONOGXRCSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001153097708 797284779 /nfs/dbraw/zinc/28/47/79/797284779.db2.gz RFMHYCPYHDMDDR-OAHLLOKOSA-N 0 3 320.433 2.271 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001192078865 797312487 /nfs/dbraw/zinc/31/24/87/797312487.db2.gz QNEPVTCREJBUBZ-HZPDHXFCSA-N 0 3 307.438 2.068 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnn1C1CCC1 ZINC001153408191 797334748 /nfs/dbraw/zinc/33/47/48/797334748.db2.gz UWTRICRQUBFQFT-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001192214085 797335302 /nfs/dbraw/zinc/33/53/02/797335302.db2.gz JTTVAHMXYXDISD-NWANDNLSSA-N 0 3 306.406 2.026 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001153445706 797339072 /nfs/dbraw/zinc/33/90/72/797339072.db2.gz GNIXHFVNQKDENR-HZPDHXFCSA-N 0 3 318.465 2.247 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)N[C@@H](C)CC)CCCC1 ZINC001153809071 797400445 /nfs/dbraw/zinc/40/04/45/797400445.db2.gz AJWSVCFBCDHYPN-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001192559854 797406587 /nfs/dbraw/zinc/40/65/87/797406587.db2.gz LFVYSJKMZYZXMF-WBVHZDCISA-N 0 3 302.418 2.310 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001192675409 797430049 /nfs/dbraw/zinc/43/00/49/797430049.db2.gz JKUHBMQCFMSJIY-MGPQQGTHSA-N 0 3 308.447 2.186 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCC2 ZINC001154151805 797473583 /nfs/dbraw/zinc/47/35/83/797473583.db2.gz PPAAAUDLZJMMBI-LLVKDONJSA-N 0 3 310.829 2.091 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(OC)c(F)c1 ZINC001154296217 797506004 /nfs/dbraw/zinc/50/60/04/797506004.db2.gz UNZYXGVEWUHGPS-CQSZACIVSA-N 0 3 320.408 2.227 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)Cc1ccsc1 ZINC001154320811 797512246 /nfs/dbraw/zinc/51/22/46/797512246.db2.gz WJSRWOOWDBCAEB-UHFFFAOYSA-N 0 3 313.426 2.458 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001193223273 797524795 /nfs/dbraw/zinc/52/47/95/797524795.db2.gz ZNPSKFHMZXOVGL-IUIKQTSFSA-N 0 3 322.474 2.495 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnc2ccncc21 ZINC001154484565 797543723 /nfs/dbraw/zinc/54/37/23/797543723.db2.gz BLHQYDBDRHEXDT-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001193400006 797558052 /nfs/dbraw/zinc/55/80/52/797558052.db2.gz GECFJKIRUHLZMA-IAGOWNOFSA-N 0 3 306.450 2.395 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2oc(CC)cc2C)C1 ZINC001193468561 797570164 /nfs/dbraw/zinc/57/01/64/797570164.db2.gz GRNYQNJQGJSSRD-OAHLLOKOSA-N 0 3 320.433 2.499 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001154800578 797614420 /nfs/dbraw/zinc/61/44/20/797614420.db2.gz LSKFGKIXHJGZLQ-UONOGXRCSA-N 0 3 300.402 2.256 20 30 DEEDHN Cc1cnc(-n2nc(C(F)(F)F)c3c2CCNC3)c(C#N)c1 ZINC001154848121 797625739 /nfs/dbraw/zinc/62/57/39/797625739.db2.gz RVUWYIYETXGBGI-UHFFFAOYSA-N 0 3 307.279 2.112 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001194468769 797729218 /nfs/dbraw/zinc/72/92/18/797729218.db2.gz QCBZRAJKVZLFGA-NWANDNLSSA-N 0 3 322.474 2.440 20 30 DEEDHN CCO[C@@H](CC)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155335038 797735715 /nfs/dbraw/zinc/73/57/15/797735715.db2.gz BNDPFDVSTDJRKG-INIZCTEOSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001194523510 797739938 /nfs/dbraw/zinc/73/99/38/797739938.db2.gz AJKDOMYRRQFROX-HFBAOOFYSA-N 0 3 320.433 2.334 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001155688047 797827194 /nfs/dbraw/zinc/82/71/94/797827194.db2.gz GLVDTWKWGSNIFV-ZWQIFLOQSA-N 0 3 310.441 2.422 20 30 DEEDHN C=CCCC(=O)N1CCCN(C[C@H](O)Cc2ccccc2)CC1 ZINC001195191570 797846987 /nfs/dbraw/zinc/84/69/87/797846987.db2.gz LRYGYDJBISBTIO-GOSISDBHSA-N 0 3 316.445 2.091 20 30 DEEDHN COc1ccccc1OC(=O)N1CCC2SC(=O)C=C2C1 ZINC001195240085 797866523 /nfs/dbraw/zinc/86/65/23/797866523.db2.gz LNJLNQKWLTWUQV-CYBMUJFWSA-N 0 3 305.355 2.468 20 30 DEEDHN C=CCOCC(=O)N1CCCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC001195283749 797870992 /nfs/dbraw/zinc/87/09/92/797870992.db2.gz 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ZINC001164324084 799572414 /nfs/dbraw/zinc/57/24/14/799572414.db2.gz OTOLJORKHONJIJ-OAHLLOKOSA-N 0 3 318.465 2.418 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)[C@H]1Cc2ccccc21 ZINC001165508403 799739783 /nfs/dbraw/zinc/73/97/83/799739783.db2.gz WOGSYUVEPRHGGE-IBGZPJMESA-N 0 3 319.408 2.494 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001110928759 799776235 /nfs/dbraw/zinc/77/62/35/799776235.db2.gz DILUQYPNIBKUAE-ZACQAIPSSA-N 0 3 306.450 2.327 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCOC(C)C)C1 ZINC001111001415 799820675 /nfs/dbraw/zinc/82/06/75/799820675.db2.gz BMKZTYMOIRZMOU-OAGGEKHMSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001166294286 799856389 /nfs/dbraw/zinc/85/63/89/799856389.db2.gz IOARDYDSYCGKPM-KGLIPLIRSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2ccon2)CCN1Cc1ccc(C#N)cc1 ZINC000947089764 799939650 /nfs/dbraw/zinc/93/96/50/799939650.db2.gz PBKBQJQDUWJYSP-BBRMVZONSA-N 0 3 324.384 2.329 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)C2(CF)CCC2)c(F)c1 ZINC001166975269 799994823 /nfs/dbraw/zinc/99/48/23/799994823.db2.gz ZUKWYNIWZOPEJP-UHFFFAOYSA-N 0 3 321.371 2.433 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C2CCOCC2)C1 ZINC000933080391 800008012 /nfs/dbraw/zinc/00/80/12/800008012.db2.gz XRJSBYDMVRXVTQ-RDJZCZTQSA-N 0 3 321.465 2.133 20 30 DEEDHN COc1ccc(OC)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001203520214 800067652 /nfs/dbraw/zinc/06/76/52/800067652.db2.gz KHYAAXNGHXMANE-OAHLLOKOSA-N 0 3 305.399 2.478 20 30 DEEDHN C#CCN(C[C@H](O)COCCOC)[C@@H]1CCCc2ccccc21 ZINC000933420258 800089781 /nfs/dbraw/zinc/08/97/81/800089781.db2.gz MHAQJHDSKYTKIT-PKOBYXMFSA-N 0 3 317.429 2.023 20 30 DEEDHN N#CC1(CCCN2CCOC[C@@H]2C[C@@H]2CCOC2)CCOCC1 ZINC000933662842 800153963 /nfs/dbraw/zinc/15/39/63/800153963.db2.gz FKILFCPGBQTEMU-IRXDYDNUSA-N 0 3 322.449 2.214 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cnn(C)c1C)C2 ZINC001204570576 800231657 /nfs/dbraw/zinc/23/16/57/800231657.db2.gz CTVPYDBVRPOHMR-ZWKOTPCHSA-N 0 3 319.449 2.302 20 30 DEEDHN C#CCCCC(=O)N1CCC(CNCc2ocnc2C)CC1 ZINC001205137472 800303331 /nfs/dbraw/zinc/30/33/31/800303331.db2.gz LKICHUTXVBOFBO-UHFFFAOYSA-N 0 3 303.406 2.115 20 30 DEEDHN Cc1csc(CNCC2CCN(C(=O)C#CC(C)C)CC2)n1 ZINC001205202457 800314300 /nfs/dbraw/zinc/31/43/00/800314300.db2.gz FLCQKXITFAGIPU-UHFFFAOYSA-N 0 3 319.474 2.439 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cccc(F)c1 ZINC001205407901 800353756 /nfs/dbraw/zinc/35/37/56/800353756.db2.gz JZLUNJWJAWDGPR-ZWKOTPCHSA-N 0 3 312.388 2.002 20 30 DEEDHN C[C@@]1(C2CC2)COCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000934477970 800368810 /nfs/dbraw/zinc/36/88/10/800368810.db2.gz PPEHEZHFMCAYCI-SFHVURJKSA-N 0 3 313.401 2.388 20 30 DEEDHN C#C[C@@H]1CCCCN1C[C@H](O)COc1ccc(CCOC)cc1 ZINC000934515984 800379592 /nfs/dbraw/zinc/37/95/92/800379592.db2.gz APBZIMVDXCNCLT-MSOLQXFVSA-N 0 3 317.429 2.103 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934844931 800475274 /nfs/dbraw/zinc/47/52/74/800475274.db2.gz XSRGTWUSFFEGTG-NUJGCVRESA-N 0 3 321.465 2.179 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccnn1C)[C@H]2CC ZINC001206330347 800510004 /nfs/dbraw/zinc/51/00/04/800510004.db2.gz YZXAHPUWMGTSJP-WMZOPIPTSA-N 0 3 316.449 2.342 20 30 DEEDHN COc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1C#N ZINC000935006111 800528561 /nfs/dbraw/zinc/52/85/61/800528561.db2.gz LDYBIVAVCRFUNO-HNNXBMFYSA-N 0 3 301.390 2.056 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001206914864 800626288 /nfs/dbraw/zinc/62/62/88/800626288.db2.gz UUUPPXNLPGQIDN-SUMDDJOVSA-N 0 3 316.445 2.259 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001206922521 800628803 /nfs/dbraw/zinc/62/88/03/800628803.db2.gz PFRCZDVXFHCODP-IUODEOHRSA-N 0 3 306.406 2.149 20 30 DEEDHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206952003 800640591 /nfs/dbraw/zinc/64/05/91/800640591.db2.gz SYFVDNXPVZWEQW-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001207553905 800778218 /nfs/dbraw/zinc/77/82/18/800778218.db2.gz OVPSTNCAWLXOOJ-MLGOLLRUSA-N 0 3 324.371 2.218 20 30 DEEDHN CC(C)OCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207585647 800784799 /nfs/dbraw/zinc/78/47/99/800784799.db2.gz MNTLSGGGVPZDBK-ZDUSSCGKSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H](NCc2ccns2)C1 ZINC001207622048 800790767 /nfs/dbraw/zinc/79/07/67/800790767.db2.gz BPXIHPAXABLJJB-KGLIPLIRSA-N 0 3 323.462 2.205 20 30 DEEDHN CO[C@H](C)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207645578 800796735 /nfs/dbraw/zinc/79/67/35/800796735.db2.gz OHCHZHVLPJJFQJ-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001207785753 800832901 /nfs/dbraw/zinc/83/29/01/800832901.db2.gz IKFITTFMXSWQAU-GOEBONIOSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2cncc(OC)c2)C1 ZINC001207928934 800866008 /nfs/dbraw/zinc/86/60/08/800866008.db2.gz OLMJIOJPIPKPFN-RHSMWYFYSA-N 0 3 317.433 2.035 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN(C[C@@H]3CCCCO3)C2)CC1 ZINC001207953675 800871455 /nfs/dbraw/zinc/87/14/55/800871455.db2.gz DFUQHIAWUIRKFJ-HNNXBMFYSA-N 0 3 308.422 2.276 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cccn1)C2 ZINC001111246956 800895921 /nfs/dbraw/zinc/89/59/21/800895921.db2.gz JJVPVIILJVJXEA-FPCVCCKLSA-N 0 3 302.422 2.132 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001208385252 800972159 /nfs/dbraw/zinc/97/21/59/800972159.db2.gz WSDZZDFVMGEIBU-GDBMZVCRSA-N 0 3 319.449 2.391 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001208877512 801083372 /nfs/dbraw/zinc/08/33/72/801083372.db2.gz KVZCJWBPPBVPJE-RHSMWYFYSA-N 0 3 320.408 2.387 20 30 DEEDHN Cc1ccnc(O[C@@H]2CCN(CCc3ccc(C#N)cc3)C2)n1 ZINC001208929992 801095905 /nfs/dbraw/zinc/09/59/05/801095905.db2.gz YCHHZZQWJUSVLY-QGZVFWFLSA-N 0 3 308.385 2.353 20 30 DEEDHN N#Cc1ccc(CCN2CCC[C@@H](Oc3ncccn3)C2)cc1 ZINC001208928409 801096198 /nfs/dbraw/zinc/09/61/98/801096198.db2.gz HMBQZZUVXAYKRW-QGZVFWFLSA-N 0 3 308.385 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001208963583 801103590 /nfs/dbraw/zinc/10/35/90/801103590.db2.gz UCTGKUBYASEPMO-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N[C@H](C)CCC)C1 ZINC001208964403 801103669 /nfs/dbraw/zinc/10/36/69/801103669.db2.gz YJVACJCOXNSFBU-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001208961791 801103676 /nfs/dbraw/zinc/10/36/76/801103676.db2.gz KHZGFEGPRPPCCQ-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001208995110 801108019 /nfs/dbraw/zinc/10/80/19/801108019.db2.gz XVEXQICKUATCIY-ZTFGCOKTSA-N 0 3 314.404 2.414 20 30 DEEDHN C[C@H]1NC=C2C(=O)OCCC2=C1CN(C)Cc1ccc(C#N)cc1 ZINC001209335410 801171854 /nfs/dbraw/zinc/17/18/54/801171854.db2.gz SGILCPYQPQXOEX-CYBMUJFWSA-N 0 3 323.396 2.109 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001209344415 801173273 /nfs/dbraw/zinc/17/32/73/801173273.db2.gz DMVQYWLGHPLNTH-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001209423867 801190337 /nfs/dbraw/zinc/19/03/37/801190337.db2.gz FSTYQKRGJOTABV-HZPDHXFCSA-N 0 3 302.422 2.346 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1c[nH]nc1C)C2 ZINC001209553751 801215133 /nfs/dbraw/zinc/21/51/33/801215133.db2.gz MCOLUEIHUSZISI-DLBZAZTESA-N 0 3 305.422 2.292 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cncc(Cl)c2)CC1 ZINC001229593125 801294581 /nfs/dbraw/zinc/29/45/81/801294581.db2.gz VAGFXEUEVVCJCY-UHFFFAOYSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001209865874 801296743 /nfs/dbraw/zinc/29/67/43/801296743.db2.gz LTCNGNBCTLIZOL-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1cnc2nc(O[C@H]3CCN(C)C3)n(C(CC)CC)c2n1 ZINC001229762324 801314643 /nfs/dbraw/zinc/31/46/43/801314643.db2.gz ZESQIFHCGFVRTJ-AWEZNQCLSA-N 0 3 313.405 2.252 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(Cl)cn2)CC1 ZINC001230090592 801359948 /nfs/dbraw/zinc/35/99/48/801359948.db2.gz OBJVCTCGCNOTPN-UHFFFAOYSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC001230321315 801385047 /nfs/dbraw/zinc/38/50/47/801385047.db2.gz MOJTXEKLVZTSBV-NVXWUHKLSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001230328135 801388455 /nfs/dbraw/zinc/38/84/55/801388455.db2.gz UVJWSBFDQBIGPV-BPLDGKMQSA-N 0 3 323.462 2.251 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2cc(F)ccc2F)C1 ZINC001210521445 801417326 /nfs/dbraw/zinc/41/73/26/801417326.db2.gz CPAPFFOHRWFABP-IUODEOHRSA-N 0 3 324.371 2.356 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC001210925618 801487922 /nfs/dbraw/zinc/48/79/22/801487922.db2.gz NKSDNZLGQHLWNV-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(CC)Cc2cccnc2)c1 ZINC001230841296 801508904 /nfs/dbraw/zinc/50/89/04/801508904.db2.gz PRMYTRXVTOCDDC-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CN(CC)c2ccccc2)C1 ZINC001211275454 801542440 /nfs/dbraw/zinc/54/24/40/801542440.db2.gz MGFLKBRRDJUATP-NVXWUHKLSA-N 0 3 301.434 2.135 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001211355713 801553545 /nfs/dbraw/zinc/55/35/45/801553545.db2.gz VXKRVYGPCIBXLN-MRXNPFEDSA-N 0 3 320.408 2.499 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COCCc2ccccc2)C1 ZINC001211461311 801572017 /nfs/dbraw/zinc/57/20/17/801572017.db2.gz ZEKOSCJVCYPIIC-SJLPKXTDSA-N 0 3 316.445 2.258 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](F)CC)[C@H](OC)C1 ZINC001213278064 801589282 /nfs/dbraw/zinc/58/92/82/801589282.db2.gz ORKJGFCNXYJILG-RRFJBIMHSA-N 0 3 300.418 2.296 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)[C@H](OC)C1 ZINC001213453789 801610798 /nfs/dbraw/zinc/61/07/98/801610798.db2.gz ISQASKUPGMIFOQ-CHWSQXEVSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H](OC)C1 ZINC001213544945 801621175 /nfs/dbraw/zinc/62/11/75/801621175.db2.gz CQEKUQRCBGQIRA-BFYDXBDKSA-N 0 3 320.433 2.473 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@H](OC)C1 ZINC001213569315 801623340 /nfs/dbraw/zinc/62/33/40/801623340.db2.gz HNTGLIQWTSNTBI-HUUCEWRRSA-N 0 3 323.824 2.130 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(OC)o2)[C@H](OC)C1 ZINC001213611671 801628466 /nfs/dbraw/zinc/62/84/66/801628466.db2.gz HRPDQQICSZBXEM-UMVBOHGHSA-N 0 3 322.405 2.072 20 30 DEEDHN C=CCOC(=O)c1ccc(OCCN2CC[C@@H](OC)C2)cc1 ZINC001231302344 801630479 /nfs/dbraw/zinc/63/04/79/801630479.db2.gz GAIIJQHKRKAEHG-MRXNPFEDSA-N 0 3 305.374 2.129 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H](OC)C1 ZINC001213751779 801640124 /nfs/dbraw/zinc/64/01/24/801640124.db2.gz QMEHGPHUOJIJFI-HUUCEWRRSA-N 0 3 323.824 2.130 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ncccc2Cl)[C@H](OC)C1 ZINC001213750078 801640804 /nfs/dbraw/zinc/64/08/04/801640804.db2.gz QEUNTISLOJXKJN-ZIAGYGMSSA-N 0 3 323.824 2.130 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2OC)CCCCC1 ZINC001213957741 801658389 /nfs/dbraw/zinc/65/83/89/801658389.db2.gz OJQAQTZPRFAKDD-IAGOWNOFSA-N 0 3 318.461 2.186 20 30 DEEDHN COc1cc(C#N)ccc1CN1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001231622175 801699108 /nfs/dbraw/zinc/69/91/08/801699108.db2.gz PMCZUFCCYCPUDN-ZBFHGGJFSA-N 0 3 313.401 2.010 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001214303811 801701753 /nfs/dbraw/zinc/70/17/53/801701753.db2.gz AQBKVGZNBXGOKN-HZPDHXFCSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001214745114 801756574 /nfs/dbraw/zinc/75/65/74/801756574.db2.gz FGFWSJANHXYLMD-RBSFLKMASA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001214743678 801756906 /nfs/dbraw/zinc/75/69/06/801756906.db2.gz IZEWEVYWFGRESB-OWCLPIDISA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cncc(O)c1)CC2 ZINC001232041708 801778390 /nfs/dbraw/zinc/77/83/90/801778390.db2.gz MLDDFLZYVRLXPF-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cncc([O-])c1)CC2 ZINC001232041708 801778396 /nfs/dbraw/zinc/77/83/96/801778396.db2.gz MLDDFLZYVRLXPF-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cncc([O-])c1)CC2 ZINC001232041708 801778400 /nfs/dbraw/zinc/77/84/00/801778400.db2.gz MLDDFLZYVRLXPF-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001215427588 801860104 /nfs/dbraw/zinc/86/01/04/801860104.db2.gz DNOCCYPERVJVNA-OWCLPIDISA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1ccnc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001232482050 801898839 /nfs/dbraw/zinc/89/88/39/801898839.db2.gz MOFJGLUYBYRTCW-DLBZAZTESA-N 0 3 302.397 2.352 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001216929721 802037644 /nfs/dbraw/zinc/03/76/44/802037644.db2.gz CJPPCRNNEVVNEA-GRYCIOLGSA-N 0 3 321.248 2.333 20 30 DEEDHN C=C[C@H](C#CC(C)(C)C)Oc1ccc(C[C@H](N)C(N)=O)cc1 ZINC001218413316 802179082 /nfs/dbraw/zinc/17/90/82/802179082.db2.gz ITIXSGWHYMIAFJ-ZBFHGGJFSA-N 0 3 300.402 2.025 20 30 DEEDHN C[C@H]1CCN[C@H](C(=O)Nc2ncc(C#N)cc2Br)C1 ZINC001218553116 802203629 /nfs/dbraw/zinc/20/36/29/802203629.db2.gz WEDIVRCEGDHASM-KWQFWETISA-N 0 3 323.194 2.042 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001233866296 802227881 /nfs/dbraw/zinc/22/78/81/802227881.db2.gz OUEPULFPYZGGSS-GDBMZVCRSA-N 0 3 302.422 2.286 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)c(O)c1 ZINC001218988679 802270172 /nfs/dbraw/zinc/27/01/72/802270172.db2.gz KJRRWSUNZCVTGE-GXSJLCMTSA-N 0 3 313.279 2.133 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CC2CCCC2)[C@@H](O)C1 ZINC001219113850 802284763 /nfs/dbraw/zinc/28/47/63/802284763.db2.gz HQGHKHIXJGSXIV-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN CCO[C@@H](C)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001234310991 802347113 /nfs/dbraw/zinc/34/71/13/802347113.db2.gz KBHSCYIRNSDEDN-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001234391583 802366587 /nfs/dbraw/zinc/36/65/87/802366587.db2.gz AHYVWUYBPGSNMG-ZACQAIPSSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001219706775 802371176 /nfs/dbraw/zinc/37/11/76/802371176.db2.gz NWCDNWLHKQOYMN-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](O)C1 ZINC001219806028 802379311 /nfs/dbraw/zinc/37/93/11/802379311.db2.gz YYLFPLJEBPSJGL-XZJROXQQSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H](O)C1 ZINC001220176418 802419962 /nfs/dbraw/zinc/41/99/62/802419962.db2.gz NJNCSBXAYZPBDH-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220435884 802460638 /nfs/dbraw/zinc/46/06/38/802460638.db2.gz LPCAAJFVUIJJAZ-CVEARBPZSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)[C@@H](O)C1 ZINC001220470157 802465040 /nfs/dbraw/zinc/46/50/40/802465040.db2.gz ULXMCAAOBDLFII-UAGQMJEPSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCOc1ccccc1[C@H](C)NC(=O)C(N)C(F)(F)F ZINC001220664011 802485029 /nfs/dbraw/zinc/48/50/29/802485029.db2.gz ULHKQAXKQDSGID-JOYOIKCWSA-N 0 3 302.296 2.318 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](CC)c2ccccc2)[C@@H](O)C1 ZINC001220749780 802492687 /nfs/dbraw/zinc/49/26/87/802492687.db2.gz XHTFKGPTZXHMAB-NXHRZFHOSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](O)C1 ZINC001220884263 802508372 /nfs/dbraw/zinc/50/83/72/802508372.db2.gz VQRGIFOELQICDA-LYRGGWFBSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C=C)c2ccccc2)[C@@H](O)C1 ZINC001221044948 802523254 /nfs/dbraw/zinc/52/32/54/802523254.db2.gz RARAHOFAJFBVNO-KURKYZTESA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(C[C@@H](C)OC)C[C@H]32)CC1 ZINC001221795129 802615352 /nfs/dbraw/zinc/61/53/52/802615352.db2.gz LFBLOWHDZHADPU-BZUAXINKSA-N 0 3 306.450 2.300 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 ZINC000420905663 802633234 /nfs/dbraw/zinc/63/32/34/802633234.db2.gz RDNHVPPLEFXIMJ-HIFRSBDPSA-N 0 3 303.381 2.387 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001222636070 802719705 /nfs/dbraw/zinc/71/97/05/802719705.db2.gz HTLWMLMDOIEYNR-ZDUSSCGKSA-N 0 3 303.381 2.314 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)CC1 ZINC001223686648 802808156 /nfs/dbraw/zinc/80/81/56/802808156.db2.gz HNSKVUDEYWZZAR-QKNQBKEWSA-N 0 3 322.452 2.424 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cc(C)ccc2OC)CC1 ZINC001223747558 802812413 /nfs/dbraw/zinc/81/24/13/802812413.db2.gz PYLYNXISSCOXCQ-UHFFFAOYSA-N 0 3 314.429 2.008 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001223900999 802822048 /nfs/dbraw/zinc/82/20/48/802822048.db2.gz SPJHCVKLGMHZMH-ROUUACIJSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@H]2CCCCO2)CC1 ZINC001224713753 802896808 /nfs/dbraw/zinc/89/68/08/802896808.db2.gz WEJWQDFDHMXENA-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC001224845985 802909428 /nfs/dbraw/zinc/90/94/28/802909428.db2.gz CGUVSFQMPHTVEP-CYBMUJFWSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001225103649 802935881 /nfs/dbraw/zinc/93/58/81/802935881.db2.gz VYZYOHJDAYYUQX-IAGOWNOFSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)c2cccc(OC)c2)CC1 ZINC001225582327 802986397 /nfs/dbraw/zinc/98/63/97/802986397.db2.gz JUJUYBLYAKOMQU-HNNXBMFYSA-N 0 3 314.429 2.260 20 30 DEEDHN COCc1ccc(CN2CCC(NC(=O)[C@@H](C)C#N)CC2)cc1 ZINC001226625496 803133414 /nfs/dbraw/zinc/13/34/14/803133414.db2.gz KXUBTWSYBAHOHZ-AWEZNQCLSA-N 0 3 315.417 2.073 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001227750408 803275549 /nfs/dbraw/zinc/27/55/49/803275549.db2.gz GQYLUZYGMJZWBT-FMKPAKJESA-N 0 3 300.418 2.202 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001227954481 803298069 /nfs/dbraw/zinc/29/80/69/803298069.db2.gz UVPWUBHVCGPXQS-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001228129554 803322698 /nfs/dbraw/zinc/32/26/98/803322698.db2.gz FVTXPZXEGWWQDR-RBSFLKMASA-N 0 3 319.453 2.232 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001228690758 803395428 /nfs/dbraw/zinc/39/54/28/803395428.db2.gz BFIOJSIRUBOURJ-CVEARBPZSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C)CC(=O)N(CC)CC)CC1 ZINC001331038335 1149366219 /nfs/dbraw/zinc/36/62/19/1149366219.db2.gz AXYUZEZRCHSEIQ-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN CN(C(=O)C(F)F)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001331241339 1149402220 /nfs/dbraw/zinc/40/22/20/1149402220.db2.gz PVMMYENLKJJJTJ-HNNXBMFYSA-N 0 3 306.356 2.130 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccnn1C1CCCC1 ZINC001331462783 1149468449 /nfs/dbraw/zinc/46/84/49/1149468449.db2.gz YJNXGJYUNYUVBK-AWEZNQCLSA-N 0 3 302.422 2.072 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)C[C@@H](C)NCc2cnccc2C)c1 ZINC001331547903 1149524874 /nfs/dbraw/zinc/52/48/74/1149524874.db2.gz PQBVDNWYEYJTPO-OAHLLOKOSA-N 0 3 322.412 2.017 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001370316030 1149526082 /nfs/dbraw/zinc/52/60/82/1149526082.db2.gz CMOSJYITXXFZNF-CABCVRRESA-N 0 3 315.889 2.250 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1csc2cncn21)C1CC1 ZINC001370330520 1149540094 /nfs/dbraw/zinc/54/00/94/1149540094.db2.gz LNKOFMQJMRWHHZ-NSHDSACASA-N 0 3 324.837 2.246 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCOc2ccccc21 ZINC001331594669 1149546737 /nfs/dbraw/zinc/54/67/37/1149546737.db2.gz MFAMPNLIRMMSBM-HOCLYGCPSA-N 0 3 300.402 2.013 20 30 DEEDHN C=C[C@H](COC)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001331644145 1149571236 /nfs/dbraw/zinc/57/12/36/1149571236.db2.gz MERYSDYPVBWJFT-ZBFHGGJFSA-N 0 3 306.406 2.052 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccc(F)c(C)c1 ZINC001327250609 1148404939 /nfs/dbraw/zinc/40/49/39/1148404939.db2.gz FCYKUKOPCVWDIP-UHFFFAOYSA-N 0 3 320.408 2.178 20 30 DEEDHN C=C(CC)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC001346164703 1150947056 /nfs/dbraw/zinc/94/70/56/1150947056.db2.gz VZKAPMCTSFREOC-GOSISDBHSA-N 0 3 315.461 2.448 20 30 DEEDHN C[C@@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)CSCC#N ZINC001331859699 1149734165 /nfs/dbraw/zinc/73/41/65/1149734165.db2.gz JCTIUMZLCGUDBB-NXEZZACHSA-N 0 3 322.261 2.141 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)Cc1ccc([Si](C)(C)C)cc1 ZINC001346548920 1151003275 /nfs/dbraw/zinc/00/32/75/1151003275.db2.gz QSXRAFPHKANJSP-HNNXBMFYSA-N 0 3 311.461 2.384 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC001346765900 1151022301 /nfs/dbraw/zinc/02/23/01/1151022301.db2.gz ZZEYMQDTYDGLQN-FUHWJXTLSA-N 0 3 315.461 2.098 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2OC)C1 ZINC001522341182 1069343355 /nfs/dbraw/zinc/34/33/55/1069343355.db2.gz FTNYJWBZSWFHFH-RDJZCZTQSA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)c2cc[nH]c2C)CC1 ZINC001328500383 1148803341 /nfs/dbraw/zinc/80/33/41/1148803341.db2.gz KZZJFPOPMVSPME-UHFFFAOYSA-N 0 3 318.465 2.027 20 30 DEEDHN C#CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001602703045 1069731707 /nfs/dbraw/zinc/73/17/07/1069731707.db2.gz LJQDBWNDLQAPGA-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001602703045 1069731711 /nfs/dbraw/zinc/73/17/11/1069731711.db2.gz LJQDBWNDLQAPGA-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001602703045 1069731713 /nfs/dbraw/zinc/73/17/13/1069731713.db2.gz LJQDBWNDLQAPGA-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001602703045 1069731717 /nfs/dbraw/zinc/73/17/17/1069731717.db2.gz LJQDBWNDLQAPGA-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN N#CC(C(=O)C=Cc1nccs1)c1nnc2n1CCCCC2 ZINC001523835418 1069737953 /nfs/dbraw/zinc/73/79/53/1069737953.db2.gz QYZXFXVQZGHNRL-ISALQUGTSA-N 0 3 313.386 2.351 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001328559369 1148810168 /nfs/dbraw/zinc/81/01/68/1148810168.db2.gz VHQLGZNRGWAYLM-MRXNPFEDSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001328765388 1148832726 /nfs/dbraw/zinc/83/27/26/1148832726.db2.gz KMENFIKMBSULCV-INIZCTEOSA-N 0 3 317.433 2.462 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001351366411 1151529906 /nfs/dbraw/zinc/52/99/06/1151529906.db2.gz XPZGSIQPKOHRSM-CQSZACIVSA-N 0 3 319.380 2.396 20 30 DEEDHN C#CCN1CCC(C(=O)N2CCCC[C@@H]2c2cc(C)n[nH]2)CC1 ZINC001456384907 1057854308 /nfs/dbraw/zinc/85/43/08/1057854308.db2.gz RRGSJODNFVNVLT-QGZVFWFLSA-N 0 3 314.433 2.117 20 30 DEEDHN C#CCN1CCC(C(=O)N2CCCC[C@@H]2c2cc(C)[nH]n2)CC1 ZINC001456384907 1057854309 /nfs/dbraw/zinc/85/43/09/1057854309.db2.gz RRGSJODNFVNVLT-QGZVFWFLSA-N 0 3 314.433 2.117 20 30 DEEDHN O=C(C(F)F)N1CCC[C@H]1CNCC#Cc1ccc(F)cc1 ZINC001499861155 1058332053 /nfs/dbraw/zinc/33/20/53/1058332053.db2.gz GKONPGVTNKKAKG-AWEZNQCLSA-N 0 3 310.319 2.023 20 30 DEEDHN C#CCN(C(=O)c1cc(C)co1)C1CCN(CCOCC)CC1 ZINC001500048413 1058453143 /nfs/dbraw/zinc/45/31/43/1058453143.db2.gz KZPYTQYRAOCOMI-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN C#CCN(C(=O)c1sc(C)nc1C)C1CCN(CC=C)CC1 ZINC001500057110 1058457849 /nfs/dbraw/zinc/45/78/49/1058457849.db2.gz CJUGCSPDVSLLLA-UHFFFAOYSA-N 0 3 317.458 2.486 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C1CCN(CCO)CC1 ZINC001500061011 1058460059 /nfs/dbraw/zinc/46/00/59/1058460059.db2.gz XVOGEGZKYDQFAK-IRXDYDNUSA-N 0 3 320.477 2.121 20 30 DEEDHN C#CCNC[C@H](NC(=O)[C@H](C)OC)c1ccc2ccccc2c1 ZINC001500059740 1058460087 /nfs/dbraw/zinc/46/00/87/1058460087.db2.gz HLOWDBLXQLMUAM-KSSFIOAISA-N 0 3 310.397 2.255 20 30 DEEDHN CCCC(=O)N1CCCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001500154451 1058526771 /nfs/dbraw/zinc/52/67/71/1058526771.db2.gz KCXJDYCKAZBMLG-GOSISDBHSA-N 0 3 306.450 2.141 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001500428477 1058775922 /nfs/dbraw/zinc/77/59/22/1058775922.db2.gz GQBCDOPJIRMFNL-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN Cc1cncc(CN2CCC[C@](C)(CNC(=O)[C@H](C)C#N)C2)c1 ZINC001500485005 1058838230 /nfs/dbraw/zinc/83/82/30/1058838230.db2.gz FGDYCLGFQTTXFT-CRAIPNDOSA-N 0 3 314.433 2.268 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)CCc2ccc(Cl)cc2)C1 ZINC001500703543 1059022671 /nfs/dbraw/zinc/02/26/71/1059022671.db2.gz CJFJHZTZVYSNBM-QGZVFWFLSA-N 0 3 322.836 2.012 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cnn(C)c1)C2 ZINC001501008229 1059197856 /nfs/dbraw/zinc/19/78/56/1059197856.db2.gz TYXYZZFAUJJZPN-XIRDDKMYSA-N 0 3 316.449 2.246 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](CCNCc2ccncc2Cl)C1 ZINC001501544795 1059541003 /nfs/dbraw/zinc/54/10/03/1059541003.db2.gz RWETUWRDJWGNCV-QWHCGFSZSA-N 0 3 320.824 2.223 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC001467728531 1059694472 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C[C@H]1CN(C(=O)c2ccco2)C[C@@H]1NCC#Cc1ccccc1 ZINC001502698051 1060230190 /nfs/dbraw/zinc/23/01/90/1060230190.db2.gz KXJTZVCPEKWZEB-RDJZCZTQSA-N 0 3 308.381 2.381 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cncc(OC)c2C)C1 ZINC001505505498 1060664778 /nfs/dbraw/zinc/66/47/78/1060664778.db2.gz KXGPYTMRFSYGCQ-UHFFFAOYSA-N 0 3 323.824 2.249 20 30 DEEDHN C[C@@H](NC(=O)c1nccs1)[C@H](C)NCC#Cc1ccccc1 ZINC001505716521 1060896679 /nfs/dbraw/zinc/89/66/79/1060896679.db2.gz IFRYBNGNSXKZCX-UONOGXRCSA-N 0 3 313.426 2.291 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCNC(=O)[C@H]1CCCN1C(C)C ZINC001496033052 1061061953 /nfs/dbraw/zinc/06/19/53/1061061953.db2.gz PSJBZUUUJMEGDC-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001505918342 1061132115 /nfs/dbraw/zinc/13/21/15/1061132115.db2.gz KENBGHNGGXYMQV-CYBMUJFWSA-N 0 3 322.474 2.341 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001505976758 1061196461 /nfs/dbraw/zinc/19/64/61/1061196461.db2.gz 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O=C(C#CC1CC1)N[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001479952642 1062099970 /nfs/dbraw/zinc/09/99/70/1062099970.db2.gz PIKUFECEDSLIJA-GOSISDBHSA-N 0 3 319.408 2.339 20 30 DEEDHN C=CCN1CC[C@@H](NC[C@H](CCCC)NC(=O)C(C)(C)C)C1=O ZINC001506556107 1062125756 /nfs/dbraw/zinc/12/57/56/1062125756.db2.gz JKSUZKNAYOPPEP-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCc2cccnc2)CC1 ZINC001479982610 1062141799 /nfs/dbraw/zinc/14/17/99/1062141799.db2.gz KAZXKUCJOGYUKL-KRWDZBQOSA-N 0 3 311.429 2.008 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001479981820 1062144026 /nfs/dbraw/zinc/14/40/26/1062144026.db2.gz RNAMZVCDSQPISN-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CCC)OCC)CC1 ZINC001479984296 1062146408 /nfs/dbraw/zinc/14/64/08/1062146408.db2.gz RSMTVPVBHXQMFL-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN N#CCSCC(=O)NC[C@H](NCc1ccccc1F)C1CC1 ZINC001480003934 1062173484 /nfs/dbraw/zinc/17/34/84/1062173484.db2.gz 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/nfs/dbraw/zinc/34/85/54/1062348554.db2.gz VLDWIFLTMJJJAK-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C[C@@H](C)n2cccc2)C(C)(C)C1 ZINC001506750580 1062357855 /nfs/dbraw/zinc/35/78/55/1062357855.db2.gz MUWSELSVBDMIKU-CVEARBPZSA-N 0 3 301.434 2.289 20 30 DEEDHN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21)C1CC1 ZINC001506773669 1062386181 /nfs/dbraw/zinc/38/61/81/1062386181.db2.gz IVZXSXFOMSUYBZ-XEKGUZQTSA-N 0 3 323.440 2.398 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)COC2CCCCC2)C1 ZINC001480255707 1062541089 /nfs/dbraw/zinc/54/10/89/1062541089.db2.gz CHHNWEKBVBAWRS-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC(N(C)C/C=C/Cl)CC2)cn1 ZINC001506969894 1062616980 /nfs/dbraw/zinc/61/69/80/1062616980.db2.gz GXPQWBPIUIMDBU-RUDMXATFSA-N 0 3 317.820 2.352 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCCN1CCc1cnn(C)c1 ZINC001480320565 1062643673 /nfs/dbraw/zinc/64/36/73/1062643673.db2.gz ZRILDWZUHLWWSB-KRWDZBQOSA-N 0 3 318.465 2.290 20 30 DEEDHN CC[C@H](SC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480445210 1062872898 /nfs/dbraw/zinc/87/28/98/1062872898.db2.gz ALGWHNIFPMLAOS-MFKMUULPSA-N 0 3 311.476 2.356 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)N[C@@H](C)c1cc(C)ccc1C ZINC001507177172 1062955618 /nfs/dbraw/zinc/95/56/18/1062955618.db2.gz FNQJMVKKUVMXFI-HOTGVXAUSA-N 0 3 304.434 2.397 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@H](C)c1ccccc1C ZINC001507207081 1062971080 /nfs/dbraw/zinc/97/10/80/1062971080.db2.gz MAGSKPIDIUZOOJ-HZPDHXFCSA-N 0 3 304.434 2.479 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)C(C)(F)F ZINC001507269469 1063010312 /nfs/dbraw/zinc/01/03/12/1063010312.db2.gz NGKOCDUXZGNWJG-IUODEOHRSA-N 0 3 324.346 2.411 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001480568953 1063049324 /nfs/dbraw/zinc/04/93/24/1063049324.db2.gz CHRMGRMVGLIMOY-ZDUSSCGKSA-N 0 3 302.422 2.189 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)c2sc(C)cc2C)C1 ZINC001507309919 1063074194 /nfs/dbraw/zinc/07/41/94/1063074194.db2.gz 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CC#CCNC1(CNC(=O)C[C@H]2CCC[C@H](OC)C2)CCC1 ZINC001570106979 1065927389 /nfs/dbraw/zinc/92/73/89/1065927389.db2.gz PVPCIRPMLVLZSV-HOTGVXAUSA-N 0 3 306.450 2.234 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(-c3ccccc3)no2)CCC1 ZINC001570108906 1065928863 /nfs/dbraw/zinc/92/88/63/1065928863.db2.gz AXXAMCSHTMXVLF-UHFFFAOYSA-N 0 3 309.369 2.217 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2CCO[C@@H](CCC)C2)CCC1 ZINC001570122254 1065933692 /nfs/dbraw/zinc/93/36/92/1065933692.db2.gz GGUMBCQEHDMRLO-CVEARBPZSA-N 0 3 306.450 2.234 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cn(C)nc1C1CC1 ZINC001497198332 1065957469 /nfs/dbraw/zinc/95/74/69/1065957469.db2.gz WWJRVHJBGFYVRC-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC001570181124 1065958621 /nfs/dbraw/zinc/95/86/21/1065958621.db2.gz CSSQHVOOEQZEAR-IRXDYDNUSA-N 0 3 316.449 2.137 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001570188402 1065965884 /nfs/dbraw/zinc/96/58/84/1065965884.db2.gz YOUQMRJVYKZCBN-KRWDZBQOSA-N 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C=C(C)CN(C)CCNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001267199000 1078660635 /nfs/dbraw/zinc/66/06/35/1078660635.db2.gz GMXQDDNMTVGUMD-QGZVFWFLSA-N 0 3 301.434 2.280 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2nccn2C(F)F)C1 ZINC001571090855 1068181295 /nfs/dbraw/zinc/18/12/95/1068181295.db2.gz YKYWPAISUXRKSQ-HAQNSBGRSA-N 0 3 312.364 2.229 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@H]2CCc3c2cccc3F)CC1 ZINC001670755255 1078673111 /nfs/dbraw/zinc/67/31/11/1078673111.db2.gz LGDMOACTUUEWPJ-INIZCTEOSA-N 0 3 318.392 2.254 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)Cc1cccc(C)c1 ZINC001267217727 1078673771 /nfs/dbraw/zinc/67/37/71/1078673771.db2.gz NVYULDSBDJXCPI-SJORKVTESA-N 0 3 302.418 2.134 20 30 DEEDHN CCCC[C@H](CNCc1cncc(F)c1)NC(=O)[C@@H](C)C#N ZINC001409820354 1078683173 /nfs/dbraw/zinc/68/31/73/1078683173.db2.gz GYJLDARWZXHYMV-SWLSCSKDSA-N 0 3 306.385 2.145 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H](C)CN(C)C(=O)C#CC1CC1 ZINC001571386709 1068267547 /nfs/dbraw/zinc/26/75/47/1068267547.db2.gz 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C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001571542034 1068408717 /nfs/dbraw/zinc/40/87/17/1068408717.db2.gz JHJJOKNEGVAKPH-HUUCEWRRSA-N 0 3 318.465 2.315 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001571607984 1068438226 /nfs/dbraw/zinc/43/82/26/1068438226.db2.gz WHTXMPSLIKAQED-IRXDYDNUSA-N 0 3 316.445 2.044 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ccnc(C2CC2)n1)C(C)C ZINC001571615079 1068441505 /nfs/dbraw/zinc/44/15/05/1068441505.db2.gz FGSKCPPCWRBABJ-UHFFFAOYSA-N 0 3 302.422 2.322 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1CCc1ccnn1C ZINC001267268085 1078715558 /nfs/dbraw/zinc/71/55/58/1078715558.db2.gz VZHFWGSIYRSQSH-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCN(CCNC(=O)C1(C)CCCCCC1)CCOC ZINC001571640842 1068455481 /nfs/dbraw/zinc/45/54/81/1068455481.db2.gz IXGUEKVQKCNYAS-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](OCC)C(C)C)CC1 ZINC001571648178 1068458286 /nfs/dbraw/zinc/45/82/86/1068458286.db2.gz HNQLPDNFHQSMHM-RDJZCZTQSA-N 0 3 308.466 2.288 20 30 DEEDHN C=C(Cl)CN(CCCNC(=O)Cn1cncc1C)C(C)C ZINC001267295664 1078741774 /nfs/dbraw/zinc/74/17/74/1078741774.db2.gz XRUPSZNHGLVIGU-UHFFFAOYSA-N 0 3 312.845 2.161 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCCC(C)(C)C ZINC001483657290 1078758399 /nfs/dbraw/zinc/75/83/99/1078758399.db2.gz GPRVHGWFYLQRGZ-IRXDYDNUSA-N 0 3 319.493 2.101 20 30 DEEDHN CC(C)C#CC(=O)NCCN(CCOc1ccccc1)C1CC1 ZINC001267326148 1078766642 /nfs/dbraw/zinc/76/66/42/1078766642.db2.gz PUXNTWJEZGYIMG-UHFFFAOYSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCN(CCNC(=O)C12CC(C(F)(F)F)(C1)C2)C1CC1 ZINC001267338339 1078776136 /nfs/dbraw/zinc/77/61/36/1078776136.db2.gz UYBMIOXCGTWCDL-UHFFFAOYSA-N 0 3 302.340 2.486 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCC2CCOCC2)C1 ZINC001483679796 1078781434 /nfs/dbraw/zinc/78/14/34/1078781434.db2.gz OWGMJJNMSKWIEG-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN Cc1ncsc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267348870 1078784549 /nfs/dbraw/zinc/78/45/49/1078784549.db2.gz LMFYJNLYNBOJKO-UHFFFAOYSA-N 0 3 320.443 2.247 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1c(C)noc1C)c1ccccc1 ZINC001267350338 1078785114 /nfs/dbraw/zinc/78/51/14/1078785114.db2.gz CIXYHQIPJKMDLC-MRXNPFEDSA-N 0 3 311.385 2.375 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1c(Cl)cnn1C)c1ccccc1 ZINC001267362292 1078793528 /nfs/dbraw/zinc/79/35/28/1078793528.db2.gz PXIMYRHTHDZHIU-AWEZNQCLSA-N 0 3 318.808 2.320 20 30 DEEDHN C=CCN(CCOc1ccccc1C(=O)OC)[C@@H](C)COC ZINC001643802766 1078814486 /nfs/dbraw/zinc/81/44/86/1078814486.db2.gz JRTGOXJMUIHQDD-AWEZNQCLSA-N 0 3 307.390 2.375 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1cnn(C(C)(C)C)c1 ZINC001267802773 1079505304 /nfs/dbraw/zinc/50/53/04/1079505304.db2.gz DJUVMXQRCRVYPO-INIZCTEOSA-N 0 3 316.449 2.036 20 30 DEEDHN CC(C)[C@H](N)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001573531853 1069031769 /nfs/dbraw/zinc/03/17/69/1069031769.db2.gz ZFZJZPJRJZCYKJ-AWEZNQCLSA-N 0 3 317.780 2.319 20 30 DEEDHN C#CCOc1ccc(NC(=O)NC[C@H]2CCCCN2C)cc1 ZINC001520222188 1069109241 /nfs/dbraw/zinc/10/92/41/1069109241.db2.gz FUGMVAWFJWTCEL-OAHLLOKOSA-N 0 3 301.390 2.304 20 30 DEEDHN CCC#C[C@@H](C)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC001644602652 1078851055 /nfs/dbraw/zinc/85/10/55/1078851055.db2.gz AYTNKFIQEIBIDT-QGZVFWFLSA-N 0 3 319.493 2.055 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001267455297 1078862914 /nfs/dbraw/zinc/86/29/14/1078862914.db2.gz XTMJFSPNINBVAU-FUHWJXTLSA-N 0 3 308.466 2.427 20 30 DEEDHN C#CC[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC001574505680 1069232838 /nfs/dbraw/zinc/23/28/38/1069232838.db2.gz YAYKVRCKEVKODJ-ISXWCOSWSA-N 0 3 307.397 2.007 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC001574856855 1069279893 /nfs/dbraw/zinc/27/98/93/1069279893.db2.gz IAKYCIDXDAHBMJ-AWEZNQCLSA-N 0 3 323.824 2.489 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2cccc(C(=O)OC)c2C1 ZINC001574902740 1069290470 /nfs/dbraw/zinc/29/04/70/1069290470.db2.gz FDUYBQNVKCFUCF-MRXNPFEDSA-N 0 3 316.401 2.042 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC001574902891 1069293478 /nfs/dbraw/zinc/29/34/78/1069293478.db2.gz IUFZKMKDEQDRJX-SJLPKXTDSA-N 0 3 300.402 2.328 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2c(C)cnn2C)C1 ZINC001267475023 1078896060 /nfs/dbraw/zinc/89/60/60/1078896060.db2.gz MHKDXCPBLYFBSA-HNNXBMFYSA-N 0 3 304.438 2.231 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1(NC[C@@H](O)c2ccccc2)CC1 ZINC001483732482 1078905723 /nfs/dbraw/zinc/90/57/23/1078905723.db2.gz INBQQRDNGICLQE-MRXNPFEDSA-N 0 3 314.429 2.008 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](CC)NCc1cncc(F)c1 ZINC001267815647 1079512373 /nfs/dbraw/zinc/51/23/73/1079512373.db2.gz QCMPKLDZRZCAIV-MRXNPFEDSA-N 0 3 305.397 2.399 20 30 DEEDHN C#CCCCC(=O)N1CCC([C@H](C)NCc2cnns2)CC1 ZINC001267486020 1078909977 /nfs/dbraw/zinc/90/99/77/1078909977.db2.gz VQHBRZPOZYSQHZ-ZDUSSCGKSA-N 0 3 320.462 2.058 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccc(C)[nH]c1=O)c1ccccc1 ZINC001267522746 1078952947 /nfs/dbraw/zinc/95/29/47/1078952947.db2.gz LDNRZSBXHXCEQJ-INIZCTEOSA-N 0 3 311.385 2.342 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccccc3F)CC2)C1=O ZINC001272595438 1078996970 /nfs/dbraw/zinc/99/69/70/1078996970.db2.gz QVZPGMZVUSBUFK-UHFFFAOYSA-N 0 3 300.377 2.273 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(Cc3ccccc3)C2)OCC1=O ZINC001272595327 1078997899 /nfs/dbraw/zinc/99/78/99/1078997899.db2.gz ZTSYPIZVEGKUPR-SFHVURJKSA-N 0 3 300.402 2.066 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC001368636925 1148540927 /nfs/dbraw/zinc/54/09/27/1148540927.db2.gz FTPICGRVKXZMEF-SGMGOOAPSA-N 0 3 316.405 2.086 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1cccn1C ZINC001272657268 1079058732 /nfs/dbraw/zinc/05/87/32/1079058732.db2.gz LBZXOZKTJTZYEJ-LLVKDONJSA-N 0 3 314.227 2.032 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@@H]3CC[C@@H](F)C3)CC2)c1 ZINC001483762293 1079083826 /nfs/dbraw/zinc/08/38/26/1079083826.db2.gz IGERYDBPTOFEDS-HZPDHXFCSA-N 0 3 315.392 2.435 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1c[nH]nc1CC ZINC001272669906 1079099150 /nfs/dbraw/zinc/09/91/50/1079099150.db2.gz JGDJBLDMGPGVPX-UHFFFAOYSA-N 0 3 324.428 2.357 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@]1(C)CCOC1 ZINC001272675864 1079112703 /nfs/dbraw/zinc/11/27/03/1079112703.db2.gz UIKLBFOHKBFBJZ-LJQANCHMSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CCC)OCC ZINC001483811411 1079135761 /nfs/dbraw/zinc/13/57/61/1079135761.db2.gz LVVIWVGTYGGTHH-IKGGRYGDSA-N 0 3 306.450 2.280 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)CCCOC)C2)C1 ZINC001483832889 1079143049 /nfs/dbraw/zinc/14/30/49/1079143049.db2.gz PIIAWJOBTZLJKC-HKUYNNGSSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCOc1ccc(OC)cc1 ZINC001481071651 1079152869 /nfs/dbraw/zinc/15/28/69/1079152869.db2.gz VIJJJGNYIKYZJP-OAHLLOKOSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCCN1CCO)c1ccccc1 ZINC001481073950 1079153645 /nfs/dbraw/zinc/15/36/45/1079153645.db2.gz WZGBLXWNELONHL-ROUUACIJSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCCN1CC(N(C)C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001483865805 1079159216 /nfs/dbraw/zinc/15/92/16/1079159216.db2.gz VAPFHOQKSIPSSE-AWEZNQCLSA-N 0 3 304.438 2.115 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)COc2ccc(C(C)C)cc2)C1 ZINC001481099716 1079182193 /nfs/dbraw/zinc/18/21/93/1079182193.db2.gz IEAZAVSXLHCIGD-MRXNPFEDSA-N 0 3 314.429 2.260 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCc2c(C)n[nH]c2C)CC1 ZINC001483975474 1079221315 /nfs/dbraw/zinc/22/13/15/1079221315.db2.gz KTEBKSYYTGJGMU-UHFFFAOYSA-N 0 3 304.438 2.116 20 30 DEEDHN C#CCN(C(=O)[C@H](C)C(F)(F)F)C1CCN(CC=C)CC1 ZINC001483986251 1079226942 /nfs/dbraw/zinc/22/69/42/1079226942.db2.gz YLWHMRDQEKISIJ-LBPRGKRZSA-N 0 3 302.340 2.297 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCCc2ccc(C)s2)C1 ZINC001481127093 1079227254 /nfs/dbraw/zinc/22/72/54/1079227254.db2.gz ZBAZRPXRMNFBHS-HNNXBMFYSA-N 0 3 304.459 2.451 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)SC)C2 ZINC001484019365 1079245353 /nfs/dbraw/zinc/24/53/53/1079245353.db2.gz BBOUBDNXDZWIJM-WBVHZDCISA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cn2ccc(C)cc2n1 ZINC001481140979 1079249934 /nfs/dbraw/zinc/24/99/34/1079249934.db2.gz AKCVORDQMILOAW-UHFFFAOYSA-N 0 3 312.417 2.108 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cnc2ccsc2c1 ZINC001481144242 1079251176 /nfs/dbraw/zinc/25/11/76/1079251176.db2.gz SZJABJIDUFXRFK-UHFFFAOYSA-N 0 3 301.415 2.371 20 30 DEEDHN N#Cc1cc(Cl)cc(Cn2cc(CNCC3CC3)nn2)c1 ZINC001646237852 1074384801 /nfs/dbraw/zinc/38/48/01/1074384801.db2.gz NRKXENMSNARMSG-UHFFFAOYSA-N 0 3 301.781 2.351 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2csc3nccn23)C1 ZINC001484071860 1079287589 /nfs/dbraw/zinc/28/75/89/1079287589.db2.gz NYGLUFDMGMGLLM-MRXNPFEDSA-N 0 3 318.446 2.095 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CN1CCCC1=O ZINC001647358012 1074894238 /nfs/dbraw/zinc/89/42/38/1074894238.db2.gz XLCRNKYOZKNNHB-ZDUSSCGKSA-N 0 3 321.808 2.217 20 30 DEEDHN C[C@@H](O)CN1CCN(Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001647452218 1074931667 /nfs/dbraw/zinc/93/16/67/1074931667.db2.gz VSTIYBKKXDHFQN-QWHCGFSZSA-N 0 3 307.825 2.099 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001556465955 1075032624 /nfs/dbraw/zinc/03/26/24/1075032624.db2.gz CZJNGNVGJUDBEF-UHFFFAOYSA-N 0 3 321.396 2.364 20 30 DEEDHN NC(=O)[C@H](CNCC#Cc1ccccc1)Cc1ccc(F)cc1 ZINC001560710639 1075144629 /nfs/dbraw/zinc/14/46/29/1075144629.db2.gz QSDIHGMPJNNGCV-KRWDZBQOSA-N 0 3 310.372 2.111 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccccn1 ZINC001566524541 1075268896 /nfs/dbraw/zinc/26/88/96/1075268896.db2.gz DEHHHQPVVNIGFO-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)[C@@H]1CCCN(C)C1=O ZINC001566560979 1075282097 /nfs/dbraw/zinc/28/20/97/1075282097.db2.gz WLLSJWXHQUHXAL-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN(CCCNC(=O)c1scnc1CC)C1CC1 ZINC001566588336 1075290507 /nfs/dbraw/zinc/29/05/07/1075290507.db2.gz LOTZPGQCNOTQGM-UHFFFAOYSA-N 0 3 305.447 2.313 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC001566596105 1075292897 /nfs/dbraw/zinc/29/28/97/1075292897.db2.gz WNOFTSTVHPCPOW-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(CCCNC(=O)COc1ccc(C)c(C)c1)C1CC1 ZINC001566602538 1075293955 /nfs/dbraw/zinc/29/39/55/1075293955.db2.gz DWLLXMNKKASSIO-UHFFFAOYSA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc2cnccc2c1)C1CC1 ZINC001566600595 1075294133 /nfs/dbraw/zinc/29/41/33/1075294133.db2.gz FWQPLXGSACJIMR-UHFFFAOYSA-N 0 3 307.397 2.452 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C2(C)CC=CC2)CC1 ZINC001566643461 1075303926 /nfs/dbraw/zinc/30/39/26/1075303926.db2.gz MCIGBCDFCJRRRU-UHFFFAOYSA-N 0 3 305.466 2.043 20 30 DEEDHN CC/C=C\CCN1CCN(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001566649562 1075305046 /nfs/dbraw/zinc/30/50/46/1075305046.db2.gz YXDAHUOYDOGKRU-SREVYHEPSA-N 0 3 319.493 2.126 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCCOC(C)C)C2)cc1 ZINC001566671421 1075311663 /nfs/dbraw/zinc/31/16/63/1075311663.db2.gz WBGTVQBJBIEYMQ-GOSISDBHSA-N 0 3 314.429 2.287 20 30 DEEDHN C[C@@H](F)CCN1CC(CNC(=O)CC#Cc2ccccc2)C1 ZINC001267699323 1079387241 /nfs/dbraw/zinc/38/72/41/1079387241.db2.gz QZWXASWXBFNMOV-OAHLLOKOSA-N 0 3 302.393 2.224 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cccc(OC)n2)C1 ZINC001566803176 1075348351 /nfs/dbraw/zinc/34/83/51/1075348351.db2.gz QSQMCJJRKJYKME-MPGHIAIKSA-N 0 3 317.433 2.429 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001566824947 1075353504 /nfs/dbraw/zinc/35/35/04/1075353504.db2.gz OVFVBIVUUHIYTO-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCc2scnc2C)C1 ZINC001566964681 1075402277 /nfs/dbraw/zinc/40/22/77/1075402277.db2.gz BASCPNFAHAMJJW-UKRRQHHQSA-N 0 3 319.474 2.234 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001567067684 1075426310 /nfs/dbraw/zinc/42/63/10/1075426310.db2.gz QPRHNEDTEZGPLB-WCFLWFBJSA-N 0 3 324.346 2.325 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)NCc2cccc(F)c2)nc1 ZINC001567070806 1075427178 /nfs/dbraw/zinc/42/71/78/1075427178.db2.gz CUQHJIZAVJRCLU-ZDUSSCGKSA-N 0 3 311.360 2.110 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2nnc(C)[nH]2)C1 ZINC001567171061 1075451861 /nfs/dbraw/zinc/45/18/61/1075451861.db2.gz BPVXRYNXWHYQHV-UONOGXRCSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C(C)C[NH2+][C@H](C)CCNC(=O)c1nnc2ccccc2c1[O-] ZINC001567232212 1075469837 /nfs/dbraw/zinc/46/98/37/1075469837.db2.gz UKWPHDIZWLCABJ-GFCCVEGCSA-N 0 3 314.389 2.010 20 30 DEEDHN C=CCCC(=O)NCCN(C)Cc1ccc(-n2cccn2)cc1 ZINC001567273550 1075483853 /nfs/dbraw/zinc/48/38/53/1075483853.db2.gz GVJGALHZMUZJLJ-UHFFFAOYSA-N 0 3 312.417 2.387 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC001650156281 1079425834 /nfs/dbraw/zinc/42/58/34/1079425834.db2.gz BCKTYJWQOSSENJ-UONOGXRCSA-N 0 3 323.824 2.147 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC001267743700 1079441726 /nfs/dbraw/zinc/44/17/26/1079441726.db2.gz ZPNKUZZIVAFEHQ-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CN(CC)CC)CC1 ZINC001582726260 1076181068 /nfs/dbraw/zinc/18/10/68/1076181068.db2.gz OTCOOBDEYCMTHK-WKILWMFISA-N 0 3 323.481 2.228 20 30 DEEDHN CCN1CCC(NC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC001587488523 1076419829 /nfs/dbraw/zinc/41/98/29/1076419829.db2.gz IKAGPCGJVVCYKK-YVMONPNESA-N 0 3 304.365 2.009 20 30 DEEDHN C=CCCCC[C@H](C)[NH2+]CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588593711 1076456390 /nfs/dbraw/zinc/45/63/90/1076456390.db2.gz HNZFIPKDSDKCLH-ZDUSSCGKSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CCCCC[C@H](C)[NH2+]CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588593711 1076456393 /nfs/dbraw/zinc/45/63/93/1076456393.db2.gz HNZFIPKDSDKCLH-ZDUSSCGKSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](CC)OC ZINC001588647778 1076459526 /nfs/dbraw/zinc/45/95/26/1076459526.db2.gz BNJCGATXODCUPL-HNNXBMFYSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](CC)OC ZINC001588647778 1076459528 /nfs/dbraw/zinc/45/95/28/1076459528.db2.gz BNJCGATXODCUPL-HNNXBMFYSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CCN1CCC([NH2+][C@H]2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001588657833 1076459548 /nfs/dbraw/zinc/45/95/48/1076459548.db2.gz XZEVMUTZSNKZCL-KRWDZBQOSA-N 0 3 324.432 2.094 20 30 DEEDHN C=C(C)C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)OCC ZINC001589370750 1076487383 /nfs/dbraw/zinc/48/73/83/1076487383.db2.gz FBDRYLWEXCKJDF-HUUCEWRRSA-N 0 3 310.438 2.265 20 30 DEEDHN CC(C)C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)[NH+](C)C ZINC001589555808 1076499397 /nfs/dbraw/zinc/49/93/97/1076499397.db2.gz LYXWVGQCPSXOQB-CYBMUJFWSA-N 0 3 313.409 2.127 20 30 DEEDHN CC(C)C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)[NH+](C)C ZINC001589555808 1076499399 /nfs/dbraw/zinc/49/93/99/1076499399.db2.gz LYXWVGQCPSXOQB-CYBMUJFWSA-N 0 3 313.409 2.127 20 30 DEEDHN C[N@H+](CCc1cccc(-c2nnn[n-]2)c1)Cc1cccc(C#N)c1 ZINC001591119722 1076709598 /nfs/dbraw/zinc/70/95/98/1076709598.db2.gz AHOGCBBPSIHFIG-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN C[N@@H+](CCc1cccc(-c2nnn[n-]2)c1)Cc1cccc(C#N)c1 ZINC001591119722 1076709605 /nfs/dbraw/zinc/70/96/05/1076709605.db2.gz AHOGCBBPSIHFIG-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN C[N@H+](CCc1cccc(-c2nn[n-]n2)c1)Cc1cccc(C#N)c1 ZINC001591119722 1076709611 /nfs/dbraw/zinc/70/96/11/1076709611.db2.gz AHOGCBBPSIHFIG-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN C[N@@H+](CCc1cccc(-c2nn[n-]n2)c1)Cc1cccc(C#N)c1 ZINC001591119722 1076709617 /nfs/dbraw/zinc/70/96/17/1076709617.db2.gz AHOGCBBPSIHFIG-UHFFFAOYSA-N 0 3 318.384 2.413 20 30 DEEDHN COc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1-c1nnn[n-]1 ZINC001591600569 1076763391 /nfs/dbraw/zinc/76/33/91/1076763391.db2.gz MMWZABCHMRDZDE-AAEUAGOBSA-N 0 3 312.377 2.047 20 30 DEEDHN COc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1-c1nn[n-]n1 ZINC001591600569 1076763393 /nfs/dbraw/zinc/76/33/93/1076763393.db2.gz MMWZABCHMRDZDE-AAEUAGOBSA-N 0 3 312.377 2.047 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001481277149 1079556558 /nfs/dbraw/zinc/55/65/58/1079556558.db2.gz LIQINHHBWKMLIF-KDOFPFPSSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1OC ZINC001484398496 1079586904 /nfs/dbraw/zinc/58/69/04/1079586904.db2.gz AHQXGPUBDANYIN-MSOLQXFVSA-N 0 3 314.429 2.053 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccn(CC)n1 ZINC001484399895 1079592130 /nfs/dbraw/zinc/59/21/30/1079592130.db2.gz DQXXYGRELKWOJU-UHFFFAOYSA-N 0 3 324.428 2.158 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ncccc2F)cc1 ZINC001267939763 1079620197 /nfs/dbraw/zinc/62/01/97/1079620197.db2.gz VAROMSBKZGPXCQ-UHFFFAOYSA-N 0 3 311.360 2.264 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC001650441358 1079626423 /nfs/dbraw/zinc/62/64/23/1079626423.db2.gz LGGFJOKBJQYGQT-WCQYABFASA-N 0 3 308.341 2.112 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 ZINC001650441356 1079626469 /nfs/dbraw/zinc/62/64/69/1079626469.db2.gz LGGFJOKBJQYGQT-DGCLKSJQSA-N 0 3 308.341 2.112 20 30 DEEDHN Cn1nc(C2CC2)cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC001650442374 1079627530 /nfs/dbraw/zinc/62/75/30/1079627530.db2.gz PZJRKMDEEHXBMN-LBPRGKRZSA-N 0 3 324.388 2.105 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)N(CC)CC ZINC001267957388 1079638575 /nfs/dbraw/zinc/63/85/75/1079638575.db2.gz XDHLPYFOHZIMGK-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccn(C)n2)cc1 ZINC001484563584 1079662649 /nfs/dbraw/zinc/66/26/49/1079662649.db2.gz QCUVJFXWLQYSIW-CQSZACIVSA-N 0 3 310.401 2.024 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccn(CC)n2)cc1 ZINC001484562832 1079665238 /nfs/dbraw/zinc/66/52/38/1079665238.db2.gz HIYGMPCBZQHAAL-CQSZACIVSA-N 0 3 310.401 2.117 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1nccnc1C ZINC001267987848 1079669132 /nfs/dbraw/zinc/66/91/32/1079669132.db2.gz HGXBSQWTMHLVKP-CYBMUJFWSA-N 0 3 304.438 2.229 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1nccnc1C ZINC001267998753 1079680019 /nfs/dbraw/zinc/68/00/19/1079680019.db2.gz LXCDSHXAJPXNDE-ZDUSSCGKSA-N 0 3 304.438 2.229 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1nccnc1C ZINC001267998751 1079680025 /nfs/dbraw/zinc/68/00/25/1079680025.db2.gz LXCDSHXAJPXNDE-CYBMUJFWSA-N 0 3 304.438 2.229 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001484612645 1079681024 /nfs/dbraw/zinc/68/10/24/1079681024.db2.gz KNUXFWOVKBHHJO-HNNXBMFYSA-N 0 3 316.445 2.256 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNCc2cn(C)nc2C)CCCC1 ZINC001481324910 1079721915 /nfs/dbraw/zinc/72/19/15/1079721915.db2.gz DPCQCHHETUUCOF-UHFFFAOYSA-N 0 3 318.465 2.413 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)CC2CCCC2)CC1 ZINC001484704408 1079730768 /nfs/dbraw/zinc/73/07/68/1079730768.db2.gz OYZKHKCATZQCQU-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCN[C@H](CNC(=O)CC1CCOCC1)c1ccccc1 ZINC001481362399 1079757361 /nfs/dbraw/zinc/75/73/61/1079757361.db2.gz AJICIQCAQHPZSH-GOSISDBHSA-N 0 3 314.429 2.274 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)Cn1cncc1C)c1ccccc1 ZINC001481369077 1079761779 /nfs/dbraw/zinc/76/17/79/1079761779.db2.gz PLFAATLTKCRPRZ-KRWDZBQOSA-N 0 3 312.417 2.215 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CSC)C2 ZINC001484824059 1079818163 /nfs/dbraw/zinc/81/81/63/1079818163.db2.gz KBUZVPCVEZBFPN-WBVHZDCISA-N 0 3 308.491 2.323 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001484831929 1079820341 /nfs/dbraw/zinc/82/03/41/1079820341.db2.gz GSFFEWVEHFANBR-FUHWJXTLSA-N 0 3 308.466 2.169 20 30 DEEDHN C=CCCC[NH2+]CC1(NC(=O)c2ccccc2[O-])CCOCC1 ZINC001484859467 1079826888 /nfs/dbraw/zinc/82/68/88/1079826888.db2.gz KYYVQTOGSSLHDZ-UHFFFAOYSA-N 0 3 318.417 2.227 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@@H](NCc2cnn(C)c2)C1 ZINC001484889480 1079839519 /nfs/dbraw/zinc/83/95/19/1079839519.db2.gz MPVWSXHIAPAUAE-PBHICJAKSA-N 0 3 316.449 2.125 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NCc2cccc(OC)n2)[C@@H](C)C1 ZINC001484896859 1079848434 /nfs/dbraw/zinc/84/84/34/1079848434.db2.gz COPDVUOVQBIVIO-HOCLYGCPSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NCc2n[nH]c(C(C)C)n2)[C@@H](C)C1 ZINC001484896968 1079848612 /nfs/dbraw/zinc/84/86/12/1079848612.db2.gz FHBOQGDXFLIXRT-KBPBESRZSA-N 0 3 319.453 2.221 20 30 DEEDHN C#CCCCCC(=O)N1CCN(C2CN(CCCCC)C2)CC1 ZINC001484944966 1079875846 /nfs/dbraw/zinc/87/58/46/1079875846.db2.gz LCXAULQWNJVBCF-UHFFFAOYSA-N 0 3 319.493 2.199 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001484958729 1079882497 /nfs/dbraw/zinc/88/24/97/1079882497.db2.gz ZJYLWSDTMMTSQU-UHFFFAOYSA-N 0 3 314.857 2.428 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001485003908 1079914105 /nfs/dbraw/zinc/91/41/05/1079914105.db2.gz HPQSTPDRJCDRQK-SFHVURJKSA-N 0 3 324.428 2.244 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCOC2(CCN(CC#CC)CC2)C1 ZINC001485007262 1079914711 /nfs/dbraw/zinc/91/47/11/1079914711.db2.gz VAXXVDFAENGSKO-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC001481468239 1079922078 /nfs/dbraw/zinc/92/20/78/1079922078.db2.gz YDOUQQWRZOCUMI-UHFFFAOYSA-N 0 3 319.449 2.162 20 30 DEEDHN C#C[C@@H](NCCc1cccc2c1OC(F)(F)O2)[C@@H]1CCCO1 ZINC001653348754 1079925898 /nfs/dbraw/zinc/92/58/98/1079925898.db2.gz HKXRSKRYTFALFA-OLZOCXBDSA-N 0 3 309.312 2.321 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC001485046433 1079936069 /nfs/dbraw/zinc/93/60/69/1079936069.db2.gz DYLXLYQNJFBTHP-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1nc(C)sc1C ZINC001485063968 1079954137 /nfs/dbraw/zinc/95/41/37/1079954137.db2.gz WHNAFCUTKGLRCI-CQSZACIVSA-N 0 3 307.463 2.411 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001268053701 1079976489 /nfs/dbraw/zinc/97/64/89/1079976489.db2.gz HFUCCTQNOHKHLB-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001485153173 1080017808 /nfs/dbraw/zinc/01/78/08/1080017808.db2.gz PUSQFIQDEQEMSN-STQMWFEESA-N 0 3 321.469 2.441 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1n[nH]c(C2CC2)n1 ZINC001268085158 1080041140 /nfs/dbraw/zinc/04/11/40/1080041140.db2.gz LVFUBQBREPDTPV-LBPRGKRZSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001656109661 1080047872 /nfs/dbraw/zinc/04/78/72/1080047872.db2.gz PDYYTYLWXFPCML-XIRDDKMYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1ccccc1F ZINC001656109017 1080048203 /nfs/dbraw/zinc/04/82/03/1080048203.db2.gz CPMYSEXVWHDXSI-CQSZACIVSA-N 0 3 306.381 2.313 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2cnccn2)C1 ZINC001656201550 1080064181 /nfs/dbraw/zinc/06/41/81/1080064181.db2.gz ZIGVJNQINGCDKK-KKUMJFAQSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)N(C)C)CCCC1 ZINC001268102336 1080073553 /nfs/dbraw/zinc/07/35/53/1080073553.db2.gz SPQARKIGIVMMJY-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485280062 1080106478 /nfs/dbraw/zinc/10/64/78/1080106478.db2.gz DBAOHPBGHWFANY-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC001268145762 1080115746 /nfs/dbraw/zinc/11/57/46/1080115746.db2.gz RHIYVLAMNXFREQ-UONOGXRCSA-N 0 3 300.830 2.279 20 30 DEEDHN C[C@@H](CNC(=O)CSCC#N)N(C)C/C=C/c1ccccc1 ZINC001485275936 1080116313 /nfs/dbraw/zinc/11/63/13/1080116313.db2.gz IQUAWCZGIHPUKD-PPYMECGQSA-N 0 3 317.458 2.393 20 30 DEEDHN C=C(C)CCN1CC(NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001481596227 1080119487 /nfs/dbraw/zinc/11/94/87/1080119487.db2.gz MBELQOUWBWAJBK-GOSISDBHSA-N 0 3 315.461 2.446 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](CCC)OCC)CC(C)(C)C1 ZINC001657102402 1080156335 /nfs/dbraw/zinc/15/63/35/1080156335.db2.gz TXAYJOGKQFGJBJ-JKSUJKDBSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@H](CC)C(N)=O)CC(C)(C)C1 ZINC001657102271 1080156829 /nfs/dbraw/zinc/15/68/29/1080156829.db2.gz QIHDDBUGNGBFQN-UONOGXRCSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCCCCCN1CC[C@]2(C1)CN([C@@H](C)C(C)=O)C(=O)CO2 ZINC001272699439 1080167345 /nfs/dbraw/zinc/16/73/45/1080167345.db2.gz JJKBUXSZMYPRHN-YJBOKZPZSA-N 0 3 322.449 2.014 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](N[C@@H](C)c1n[nH]c(C)n1)C(C)C ZINC001268212727 1080198454 /nfs/dbraw/zinc/19/84/54/1080198454.db2.gz LKIHUDIYWOUNBG-JSGCOSHPSA-N 0 3 307.442 2.261 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001268256371 1080235820 /nfs/dbraw/zinc/23/58/20/1080235820.db2.gz SPPJXCTYMZSNOY-AWEZNQCLSA-N 0 3 304.438 2.045 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1[nH]c2ccccc2c1OC ZINC001268258730 1080237006 /nfs/dbraw/zinc/23/70/06/1080237006.db2.gz DORHMVPFHZNBKY-UHFFFAOYSA-N 0 3 313.401 2.204 20 30 DEEDHN C#C[C@H](CO)N[C@@H](C)Cc1ccc(F)cc1Br ZINC001659754420 1080250227 /nfs/dbraw/zinc/25/02/27/1080250227.db2.gz ZWXBDLTWGWVLHT-JOYOIKCWSA-N 0 3 300.171 2.103 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001485539358 1080286952 /nfs/dbraw/zinc/28/69/52/1080286952.db2.gz OBIWGAREESYLIM-HUUCEWRRSA-N 0 3 316.420 2.464 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001481677801 1080291263 /nfs/dbraw/zinc/29/12/63/1080291263.db2.gz LZBUDEYNVFESSM-YZUHTNEWSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001481691286 1080304124 /nfs/dbraw/zinc/30/41/24/1080304124.db2.gz AZIXGQYNZJVZTR-UONOGXRCSA-N 0 3 319.405 2.296 20 30 DEEDHN C#CC1(O)CCN(Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC001660349410 1080314813 /nfs/dbraw/zinc/31/48/13/1080314813.db2.gz AXVCYQBZMFSTKS-UHFFFAOYSA-N 0 3 300.333 2.040 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001481703227 1080323982 /nfs/dbraw/zinc/32/39/82/1080323982.db2.gz ADVZSTZXIDXIFU-OWCLPIDISA-N 0 3 320.458 2.245 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cncn1C ZINC001660439821 1080333127 /nfs/dbraw/zinc/33/31/27/1080333127.db2.gz LAYWJWDASUWOJN-WBVHZDCISA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCC(=C)C ZINC001660440384 1080333253 /nfs/dbraw/zinc/33/32/53/1080333253.db2.gz OPNSYFAEYWBBFC-JKSUJKDBSA-N 0 3 321.465 2.004 20 30 DEEDHN CCN(CCCNC(=O)C#CC(C)C)Cc1cncc(F)c1 ZINC001660525423 1080351418 /nfs/dbraw/zinc/35/14/18/1080351418.db2.gz XESROMHQUSNMBC-UHFFFAOYSA-N 0 3 305.397 2.208 20 30 DEEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)c1ccn(C)c1 ZINC001268358720 1080368447 /nfs/dbraw/zinc/36/84/47/1080368447.db2.gz GRYABECBQSKZTA-AWEZNQCLSA-N 0 3 310.401 2.195 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC001485692550 1080377112 /nfs/dbraw/zinc/37/71/12/1080377112.db2.gz JJRNGIOXPGOYCD-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN C=CCCCCCN1CCC[C@]12CCN([C@@H](CC)C(N)=O)C2=O ZINC001272700644 1080377758 /nfs/dbraw/zinc/37/77/58/1080377758.db2.gz ZZIBHXFDNHZYNV-MAUKXSAKSA-N 0 3 321.465 2.064 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1snnc1C1CC1 ZINC001268375948 1080394015 /nfs/dbraw/zinc/39/40/15/1080394015.db2.gz YDCLZIWCQNEZDD-SECBINFHSA-N 0 3 314.842 2.266 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc2nonc2c1 ZINC001485734926 1080398701 /nfs/dbraw/zinc/39/87/01/1080398701.db2.gz DXKFCTQGYAAHHD-LLVKDONJSA-N 0 3 322.796 2.463 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001660822042 1080403255 /nfs/dbraw/zinc/40/32/55/1080403255.db2.gz BQHAPMXMUCCUFW-HUUCEWRRSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001485748530 1080414929 /nfs/dbraw/zinc/41/49/29/1080414929.db2.gz IQKDUNWGJPUYRB-CHWSQXEVSA-N 0 3 312.845 2.151 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001481747275 1080431475 /nfs/dbraw/zinc/43/14/75/1080431475.db2.gz JVCOAELEQROBJA-MRXNPFEDSA-N 0 3 320.383 2.453 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cnc(C)nc1)C1CC1 ZINC001661152280 1080448733 /nfs/dbraw/zinc/44/87/33/1080448733.db2.gz PDJVMPNFUOXNQI-MRXNPFEDSA-N 0 3 316.449 2.372 20 30 DEEDHN O=C(CCCF)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001661157487 1080449933 /nfs/dbraw/zinc/44/99/33/1080449933.db2.gz SWNKWKKNIOCAAA-QGZVFWFLSA-N 0 3 302.393 2.272 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc3[nH]ccc3c2)C1=O ZINC001272707598 1080464833 /nfs/dbraw/zinc/46/48/33/1080464833.db2.gz VHBKESVYHYPKAD-IBGZPJMESA-N 0 3 307.397 2.368 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3cnoc3)CC2)C1=O ZINC001272713132 1080477963 /nfs/dbraw/zinc/47/79/63/1080477963.db2.gz VHHDJWWQYSWBKH-KRWDZBQOSA-N 0 3 303.406 2.455 20 30 DEEDHN Cc1cnccc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661417987 1080479763 /nfs/dbraw/zinc/47/97/63/1080479763.db2.gz UWZRABZABBPSCB-IYARVYRRSA-N 0 3 319.408 2.292 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2cccc(F)c2)C1 ZINC001481777822 1080492740 /nfs/dbraw/zinc/49/27/40/1080492740.db2.gz CMHBCACBOOCJPC-QGZVFWFLSA-N 0 3 302.393 2.314 20 30 DEEDHN CC[C@H](CNC(=O)c1cscn1)NCc1ccc(C#N)s1 ZINC001481797586 1080515471 /nfs/dbraw/zinc/51/54/71/1080515471.db2.gz KOMILNLVMHJRKR-SNVBAGLBSA-N 0 3 320.443 2.374 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001661747483 1080517103 /nfs/dbraw/zinc/51/71/03/1080517103.db2.gz AGCZROLGSNEGTI-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@H](C)c1n[nH]c(CC)n1 ZINC001661910576 1080543511 /nfs/dbraw/zinc/54/35/11/1080543511.db2.gz SNBOBBWTNYUPAH-KGLIPLIRSA-N 0 3 319.453 2.365 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001268467786 1080547692 /nfs/dbraw/zinc/54/76/92/1080547692.db2.gz IJRMMWRPNVFMHR-ZWKOTPCHSA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)NCc1ccns1 ZINC001481860509 1080559154 /nfs/dbraw/zinc/55/91/54/1080559154.db2.gz YTUHDKHPMRXOSR-QEJZJMRPSA-N 0 3 323.462 2.109 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCc1cn(C)nc1C ZINC001268477829 1080588520 /nfs/dbraw/zinc/58/85/20/1080588520.db2.gz XHUVGAFKCIXWCR-KRWDZBQOSA-N 0 3 306.454 2.269 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)COc1ccc(C(C)C)cc1 ZINC001662271958 1080590311 /nfs/dbraw/zinc/59/03/11/1080590311.db2.gz CTXYIPASDROFET-OAHLLOKOSA-N 0 3 302.418 2.306 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001662618924 1080622899 /nfs/dbraw/zinc/62/28/99/1080622899.db2.gz KNUKMYQYVUVLSV-HZPDHXFCSA-N 0 3 314.433 2.169 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC001662844586 1080666223 /nfs/dbraw/zinc/66/62/23/1080666223.db2.gz HYMZXLNHBQKQIW-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001662970687 1080681025 /nfs/dbraw/zinc/68/10/25/1080681025.db2.gz KVXQRCIPCYSOLU-KDOFPFPSSA-N 0 3 318.465 2.416 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC001662970688 1080681202 /nfs/dbraw/zinc/68/12/02/1080681202.db2.gz KVXQRCIPCYSOLU-KSSFIOAISA-N 0 3 318.465 2.416 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)nc2)cc1 ZINC001482030102 1080706003 /nfs/dbraw/zinc/70/60/03/1080706003.db2.gz OIAAJISLLTZGIJ-UHFFFAOYSA-N 0 3 307.397 2.433 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C\CN[C@H]1CCc2ccc(F)cc21 ZINC001268517742 1080707293 /nfs/dbraw/zinc/70/72/93/1080707293.db2.gz BTBLZCNEYYLUBJ-DICDFQLESA-N 0 3 301.365 2.235 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001663171225 1080713758 /nfs/dbraw/zinc/71/37/58/1080713758.db2.gz KRMLSFSSOUQIFN-DYVFJYSZSA-N 0 3 308.397 2.262 20 30 DEEDHN CCN(CCNC(=O)CSCC#N)Cc1cc(F)ccc1C ZINC001663359068 1080735800 /nfs/dbraw/zinc/73/58/00/1080735800.db2.gz FWSJCDYTBCFQNS-UHFFFAOYSA-N 0 3 323.437 2.329 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001663508061 1080762905 /nfs/dbraw/zinc/76/29/05/1080762905.db2.gz GZJAAWSOLJIVKG-UPTPFMHGSA-N 0 3 306.450 2.350 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cccc2c1COCC2 ZINC001663663584 1080800945 /nfs/dbraw/zinc/80/09/45/1080800945.db2.gz FBCIVXGULPZFPN-UHFFFAOYSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN(CCNC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC1 ZINC001663739404 1080810090 /nfs/dbraw/zinc/81/00/90/1080810090.db2.gz CNAGHFMRRVKISP-STQMWFEESA-N 0 3 320.355 2.253 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(-c2cn[nH]c2)cc1)C1CC1 ZINC001663762973 1080813556 /nfs/dbraw/zinc/81/35/56/1080813556.db2.gz IDOAXEXZVQWSQZ-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)CNCc2nccs2)cc1 ZINC001482130361 1080829119 /nfs/dbraw/zinc/82/91/19/1080829119.db2.gz PBHBMMZXJGPVAF-CYBMUJFWSA-N 0 3 313.426 2.280 20 30 DEEDHN Cc1coc(C(=O)N(C)CCNCc2ccc(F)c(C#N)c2)c1 ZINC001664129589 1080863310 /nfs/dbraw/zinc/86/33/10/1080863310.db2.gz KIIZYQHCXUZZGH-UHFFFAOYSA-N 0 3 315.348 2.461 20 30 DEEDHN CC#CCCCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001664129467 1080864351 /nfs/dbraw/zinc/86/43/51/1080864351.db2.gz IAWCGWSXSRDUMG-UHFFFAOYSA-N 0 3 317.389 2.336 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)C1(C2CCCCC2)CC1 ZINC001268616515 1080892300 /nfs/dbraw/zinc/89/23/00/1080892300.db2.gz ATISIPJXOSVOMH-WAYWQWQTSA-N 0 3 318.461 2.259 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2ccc(F)cc2)nc1 ZINC001664317669 1080892768 /nfs/dbraw/zinc/89/27/68/1080892768.db2.gz TVMHFNLSFMLPHU-UHFFFAOYSA-N 0 3 311.360 2.064 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cnn(CCC(C)C)c1C ZINC001268615140 1080893672 /nfs/dbraw/zinc/89/36/72/1080893672.db2.gz WSRZWOHLVUWEAU-BQYQJAHWSA-N 0 3 316.449 2.137 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCOc1cccc(C)c1 ZINC001268625015 1080902432 /nfs/dbraw/zinc/90/24/32/1080902432.db2.gz DPNLIYHANSACKV-AATRIKPKSA-N 0 3 300.402 2.049 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1cn(C)nc1C(F)F ZINC001268659091 1080920701 /nfs/dbraw/zinc/92/07/01/1080920701.db2.gz LPDHZJKNDOXRSU-SNVBAGLBSA-N 0 3 314.380 2.164 20 30 DEEDHN C=CCOCCN[C@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001664578911 1080927947 /nfs/dbraw/zinc/92/79/47/1080927947.db2.gz VCLGLDWNFHXUHT-GOSISDBHSA-N 0 3 312.413 2.050 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001664734858 1080952040 /nfs/dbraw/zinc/95/20/40/1080952040.db2.gz KXYCYSRQLSUXJP-SJORKVTESA-N 0 3 306.450 2.067 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1cncc(OC)n1 ZINC001268813433 1081005197 /nfs/dbraw/zinc/00/51/97/1081005197.db2.gz WIXYGTVRKAWGSH-UHFFFAOYSA-N 0 3 320.437 2.026 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001665274669 1081009202 /nfs/dbraw/zinc/00/92/02/1081009202.db2.gz FYDJRIMHBNZBKT-KXBFYZLASA-N 0 3 316.445 2.431 20 30 DEEDHN O=C(C#CC1CC1)NCC1CN(CCCc2cccc(F)c2)C1 ZINC001268824998 1081009699 /nfs/dbraw/zinc/00/96/99/1081009699.db2.gz LLBOJIBYBMTEBM-UHFFFAOYSA-N 0 3 314.404 2.220 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1c2ccccc2nn1C ZINC001268902987 1081035679 /nfs/dbraw/zinc/03/56/79/1081035679.db2.gz SMZBMKLMYOOGIE-UHFFFAOYSA-N 0 3 320.824 2.378 20 30 DEEDHN O=C(CCS)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001268959462 1081056838 /nfs/dbraw/zinc/05/68/38/1081056838.db2.gz CPVGWPGWMPAUIR-INIZCTEOSA-N 0 3 307.463 2.149 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCc2ccccc2OC)C1 ZINC001665681516 1081062344 /nfs/dbraw/zinc/06/23/44/1081062344.db2.gz IKROOOIRACJFRI-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1cccnc1 ZINC001268965509 1081063044 /nfs/dbraw/zinc/06/30/44/1081063044.db2.gz RPNZHBXZOWRDDG-PMPSAXMXSA-N 0 3 315.417 2.100 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCc2cn(C)nc2C)C1 ZINC001665731804 1081073177 /nfs/dbraw/zinc/07/31/77/1081073177.db2.gz OGMHOMLJQPGNAG-QGZVFWFLSA-N 0 3 318.465 2.160 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC[C@H]2CCCCO2)C1 ZINC001665731816 1081073621 /nfs/dbraw/zinc/07/36/21/1081073621.db2.gz OHBAHOHACWLHDY-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNCc1nccnc1C ZINC001666615876 1081166750 /nfs/dbraw/zinc/16/67/50/1081166750.db2.gz LKOUDCBUEVYCMH-GUYCJALGSA-N 0 3 304.438 2.229 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001269240110 1081180427 /nfs/dbraw/zinc/18/04/27/1081180427.db2.gz HGEHRINMTMFNBK-HNNXBMFYSA-N 0 3 304.438 2.309 20 30 DEEDHN C#CCCCCCC(=O)N1CCC2(CN(CCOC)C2)CC1 ZINC001666829444 1081183641 /nfs/dbraw/zinc/18/36/41/1081183641.db2.gz OHZRIQXEIJJSLF-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001269320766 1081211823 /nfs/dbraw/zinc/21/18/23/1081211823.db2.gz ITNANJDVHYAKTK-HOCLYGCPSA-N 0 3 312.417 2.493 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H](CNCCF)C2CCCCC2)c1 ZINC001667129761 1081214139 /nfs/dbraw/zinc/21/41/39/1081214139.db2.gz IBECFSSSSAKMFM-HNNXBMFYSA-N 0 3 306.385 2.124 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cnns2)[C@@H](C)C1 ZINC001667169644 1081219181 /nfs/dbraw/zinc/21/91/81/1081219181.db2.gz NQCICKHHDQFKEC-ZFWWWQNUSA-N 0 3 320.462 2.058 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@H]2CCN2C(C)C)cc1 ZINC001269352795 1081227214 /nfs/dbraw/zinc/22/72/14/1081227214.db2.gz WJFDHHAJNXBXJL-MRXNPFEDSA-N 0 3 302.418 2.393 20 30 DEEDHN CC[C@H](CNC(=O)C(=O)C(C)(C)C)NCC#Cc1ccccc1 ZINC001269378885 1081232458 /nfs/dbraw/zinc/23/24/58/1081232458.db2.gz XNYQKPPFGSBFAC-MRXNPFEDSA-N 0 3 314.429 2.138 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCN1c1ccccc1 ZINC001667574641 1081264668 /nfs/dbraw/zinc/26/46/68/1081264668.db2.gz KVSAUBMDNIGDSD-SFHVURJKSA-N 0 3 313.445 2.069 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001667701264 1081276533 /nfs/dbraw/zinc/27/65/33/1081276533.db2.gz JJDCMEGOLNTFSX-DGPIVGRDSA-N 0 3 312.841 2.254 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001667701267 1081276569 /nfs/dbraw/zinc/27/65/69/1081276569.db2.gz JJDCMEGOLNTFSX-SJPZSHDVSA-N 0 3 312.841 2.254 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ocnc1C ZINC001667721328 1081278704 /nfs/dbraw/zinc/27/87/04/1081278704.db2.gz IVECMHXSEDLGBL-HUUCEWRRSA-N 0 3 303.406 2.161 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1cc(OC)no1 ZINC001667744161 1081283813 /nfs/dbraw/zinc/28/38/13/1081283813.db2.gz ODFCZTCERZMKLC-JSGCOSHPSA-N 0 3 321.421 2.270 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001668015934 1081305487 /nfs/dbraw/zinc/30/54/87/1081305487.db2.gz METBLUVPAJYIMV-QWRGUYRKSA-N 0 3 303.244 2.426 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CC[C@H](C)OC)C2)CC1 ZINC001269703919 1081339110 /nfs/dbraw/zinc/33/91/10/1081339110.db2.gz HWTIXTWHYWXCBN-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCC(F)(F)F)C2)C1 ZINC001269742596 1081354082 /nfs/dbraw/zinc/35/40/82/1081354082.db2.gz TYELHQGCQMPDLH-AWEZNQCLSA-N 0 3 302.340 2.277 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](F)C1)CC2 ZINC001482244190 1081373087 /nfs/dbraw/zinc/37/30/87/1081373087.db2.gz YVILCMHZSARPOF-HZPDHXFCSA-N 0 3 324.440 2.252 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(C)no2)C[C@@H]1C ZINC001269928699 1081402970 /nfs/dbraw/zinc/40/29/70/1081402970.db2.gz SHGIXBAECMULFS-LSDHHAIUSA-N 0 3 303.406 2.256 20 30 DEEDHN CC(C)Oc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1C#N ZINC001269986976 1081419868 /nfs/dbraw/zinc/41/98/68/1081419868.db2.gz HAEHQPOXWVYOAR-GOEBONIOSA-N 0 3 313.401 2.122 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001669075536 1081425652 /nfs/dbraw/zinc/42/56/52/1081425652.db2.gz SWHFWIACDPREMN-WAYWQWQTSA-N 0 3 306.793 2.248 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001669810912 1081471704 /nfs/dbraw/zinc/47/17/04/1081471704.db2.gz HSYZHDAXMIDWBP-AWEZNQCLSA-N 0 3 322.836 2.316 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@@H]1CNCc1ccns1 ZINC001270195263 1081471830 /nfs/dbraw/zinc/47/18/30/1081471830.db2.gz ANNBJTYENYSBLQ-CQSZACIVSA-N 0 3 305.447 2.417 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]1CNCc1scnc1C ZINC001270194981 1081472055 /nfs/dbraw/zinc/47/20/55/1081472055.db2.gz YXEWRHYUMIHWCM-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCO[C@@H]1CC1(F)F ZINC001669862608 1081475015 /nfs/dbraw/zinc/47/50/15/1081475015.db2.gz NHSJGTTXLZEPLO-CHWSQXEVSA-N 0 3 318.408 2.449 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCc1cnn(CC)c1 ZINC001669863332 1081475408 /nfs/dbraw/zinc/47/54/08/1081475408.db2.gz YUVMPFFXMLNODS-HNNXBMFYSA-N 0 3 320.481 2.484 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC(=O)NC(C)(C)C ZINC001270211609 1081476689 /nfs/dbraw/zinc/47/66/89/1081476689.db2.gz XJCYLWZXVXIMQW-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1cc(CNC[C@H](C)N(C)C(=O)C#CC(C)(C)C)sn1 ZINC001482282199 1081507918 /nfs/dbraw/zinc/50/79/18/1081507918.db2.gz VDEAIVCAZYDHPD-ZDUSSCGKSA-N 0 3 307.463 2.438 20 30 DEEDHN C#CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)C1CCN(CCOC)CC1 ZINC001270358585 1081508850 /nfs/dbraw/zinc/50/88/50/1081508850.db2.gz LFFFUYDQYAALEL-MJGOQNOKSA-N 0 3 320.477 2.241 20 30 DEEDHN C#CCN(C(=O)c1ccc2[nH]ccc2n1)C1CCN(CC=C)CC1 ZINC001671484173 1081519215 /nfs/dbraw/zinc/51/92/15/1081519215.db2.gz DJYXROHLPGGTBE-UHFFFAOYSA-N 0 3 322.412 2.289 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2ccc(Cl)cn2)C1 ZINC001671683517 1081532514 /nfs/dbraw/zinc/53/25/14/1081532514.db2.gz BHHVDGZVBRSIPZ-INIZCTEOSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COc2ccccc2OCC)C1 ZINC001671688850 1081533278 /nfs/dbraw/zinc/53/32/78/1081533278.db2.gz IDGQRGGJRPWPCV-SFHVURJKSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CNCc2nccn2C)CCC1 ZINC001270506381 1081539580 /nfs/dbraw/zinc/53/95/80/1081539580.db2.gz HFQADHORFZOHCY-AWEZNQCLSA-N 0 3 304.438 2.008 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001671917162 1081550075 /nfs/dbraw/zinc/55/00/75/1081550075.db2.gz WMLSSHKCQYNSHQ-FUHWJXTLSA-N 0 3 306.450 2.045 20 30 DEEDHN C[C@H](F)CCN1CCC(F)(F)[C@H](CNC(=O)C#CC2CC2)C1 ZINC001671968123 1081554321 /nfs/dbraw/zinc/55/43/21/1081554321.db2.gz HUAOMONJFUHNHH-GXTWGEPZSA-N 0 3 316.367 2.221 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@]1(C)CCN(CCn2cccn2)C1 ZINC001270591083 1081557837 /nfs/dbraw/zinc/55/78/37/1081557837.db2.gz UMTRLWOSQLZEOV-SFHVURJKSA-N 0 3 316.449 2.232 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](CNCc2ncc(C)s2)C1 ZINC001672274543 1081576755 /nfs/dbraw/zinc/57/67/55/1081576755.db2.gz NLRMMLADVWAQFR-DZGCQCFKSA-N 0 3 319.474 2.439 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001270649770 1081581840 /nfs/dbraw/zinc/58/18/40/1081581840.db2.gz PSNKRTLDHCYRMQ-AEFFLSMTSA-N 0 3 300.402 2.415 20 30 DEEDHN CC#CC(=O)N1CCC[C@@]2(CCN(Cc3scnc3C)C2)C1 ZINC001270716474 1081612987 /nfs/dbraw/zinc/61/29/87/1081612987.db2.gz IRFNRMLRNVYUPI-KRWDZBQOSA-N 0 3 317.458 2.289 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)Cn2nc(C)cc2C)C1 ZINC001672825747 1081709576 /nfs/dbraw/zinc/70/95/76/1081709576.db2.gz LOKIMBBHWSTNQT-OAHLLOKOSA-N 0 3 324.856 2.081 20 30 DEEDHN C=CCCCC(=O)N1CC[C@](C)(CNCc2cnns2)C1 ZINC001270789745 1081713263 /nfs/dbraw/zinc/71/32/63/1081713263.db2.gz XWARIAPXQVASTO-OAHLLOKOSA-N 0 3 308.451 2.223 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NCCC)CC1 ZINC001482327253 1081720219 /nfs/dbraw/zinc/72/02/19/1081720219.db2.gz JINOPHJMEQLCGW-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cccc(OC)n2)cc1 ZINC001672942774 1081724884 /nfs/dbraw/zinc/72/48/84/1081724884.db2.gz GPDQCOUECRVVSA-CQSZACIVSA-N 0 3 323.396 2.304 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001673181455 1081744817 /nfs/dbraw/zinc/74/48/17/1081744817.db2.gz BNTMIAJEGKHPOO-CQSZACIVSA-N 0 3 315.408 2.455 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)cc1 ZINC001095853999 1081756448 /nfs/dbraw/zinc/75/64/48/1081756448.db2.gz GSJXFCUFBWNLFJ-ZSGPHXLJSA-N 0 3 312.413 2.038 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CCc2cscn2)CC1 ZINC001673406260 1081768152 /nfs/dbraw/zinc/76/81/52/1081768152.db2.gz CUSFTAOPVSAQBR-CQSZACIVSA-N 0 3 305.447 2.070 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1c(F)cccc1Cl ZINC001673483711 1081774662 /nfs/dbraw/zinc/77/46/62/1081774662.db2.gz YOBNKQJEXUMMLB-UHFFFAOYSA-N 0 3 310.800 2.435 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@](CO)(NCCC(F)(F)F)C1 ZINC001327590730 1081803271 /nfs/dbraw/zinc/80/32/71/1081803271.db2.gz HZEVUAYHFAVIQP-CQSZACIVSA-N 0 3 322.371 2.238 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2cc(C)on2)C(C)(C)C1 ZINC001674028582 1081828860 /nfs/dbraw/zinc/82/88/60/1081828860.db2.gz HSQTYPCUNIILFO-INIZCTEOSA-N 0 3 317.433 2.156 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001674039966 1081832339 /nfs/dbraw/zinc/83/23/39/1081832339.db2.gz ZOUJRBTYZPJDES-MRXNPFEDSA-N 0 3 305.466 2.136 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C1CCCCCC1 ZINC001270912491 1081835597 /nfs/dbraw/zinc/83/55/97/1081835597.db2.gz ACTNQMORAOVXDI-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001674329816 1081860715 /nfs/dbraw/zinc/86/07/15/1081860715.db2.gz CAVITQSCFHZOQT-SJORKVTESA-N 0 3 320.477 2.169 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001271060380 1081892593 /nfs/dbraw/zinc/89/25/93/1081892593.db2.gz UGXPHYFCNZNORM-OLZOCXBDSA-N 0 3 321.469 2.467 20 30 DEEDHN COCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001674633316 1081896176 /nfs/dbraw/zinc/89/61/76/1081896176.db2.gz KDNPCBDZZYWOMM-RYUDHWBXSA-N 0 3 309.435 2.029 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H](C)CNCC(=O)N1CCC[C@H](C)C1 ZINC001271081285 1081899720 /nfs/dbraw/zinc/89/97/20/1081899720.db2.gz CCQLFWFNUZEBHF-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCc2ccccc2F)C1 ZINC001266248118 1081915465 /nfs/dbraw/zinc/91/54/65/1081915465.db2.gz FNSZLZGRUOWMCR-INIZCTEOSA-N 0 3 302.393 2.362 20 30 DEEDHN C=C/C(C)=C\CC(=O)NCCCN1CCN(CC(=C)C)CC1 ZINC001266269900 1081930116 /nfs/dbraw/zinc/93/01/16/1081930116.db2.gz RZHXDBQPTXHOER-IDUWFGFVSA-N 0 3 305.466 2.209 20 30 DEEDHN CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001482465657 1081933123 /nfs/dbraw/zinc/93/31/23/1081933123.db2.gz IURDOAKICCRLJE-HUUCEWRRSA-N 0 3 300.402 2.246 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc([S@](C)=O)cc1 ZINC001649249243 1081950779 /nfs/dbraw/zinc/95/07/79/1081950779.db2.gz OWZDPANPUICYOS-FPTDNZKUSA-N 0 3 315.398 2.059 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(COC)cc2)C1 ZINC001266307791 1081961944 /nfs/dbraw/zinc/96/19/44/1081961944.db2.gz KSFVBEQCRGNSGU-KRWDZBQOSA-N 0 3 302.418 2.490 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001266319998 1081969156 /nfs/dbraw/zinc/96/91/56/1081969156.db2.gz WVZADAXTKDJVCZ-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCc2nccs2)CC1 ZINC001266382999 1082010866 /nfs/dbraw/zinc/01/08/66/1082010866.db2.gz YYTWFPVFYNUKFI-CQSZACIVSA-N 0 3 317.458 2.070 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cn(C(C)C)nn2)[C@H](C)C1 ZINC001271373651 1082022811 /nfs/dbraw/zinc/02/28/11/1082022811.db2.gz FWVJMWXPMQQGOG-GDBMZVCRSA-N 0 3 319.453 2.152 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001282773048 1082031228 /nfs/dbraw/zinc/03/12/28/1082031228.db2.gz ODADXQNMGUVOPF-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN Cc1cnc(CN[C@H](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001271489873 1082061619 /nfs/dbraw/zinc/06/16/19/1082061619.db2.gz BYOQUULDBRVVPQ-HUUCEWRRSA-N 0 3 319.474 2.438 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001271624322 1082096063 /nfs/dbraw/zinc/09/60/63/1082096063.db2.gz BGBPKZFOKSYSLL-UONOGXRCSA-N 0 3 323.462 2.062 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001480882205 1082130923 /nfs/dbraw/zinc/13/09/23/1082130923.db2.gz GPZSRIXUNIOAFZ-UHFFFAOYSA-N 0 3 301.365 2.300 20 30 DEEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001271853097 1082172091 /nfs/dbraw/zinc/17/20/91/1082172091.db2.gz GBNKQOHRMOIAAC-CALCHBBNSA-N 0 3 311.429 2.021 20 30 DEEDHN C=CCN(CCC)CCNC(=O)C(=O)Nc1c(C)cccc1C ZINC001266579816 1082172679 /nfs/dbraw/zinc/17/26/79/1082172679.db2.gz ZDZOGLVRNBCZOS-UHFFFAOYSA-N 0 3 317.433 2.256 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2cncn2C)C(C)C)C1 ZINC001271893523 1082183005 /nfs/dbraw/zinc/18/30/05/1082183005.db2.gz QHKMEPHZFXNCBR-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(CCn1nc(C)cc1C)C1CC1 ZINC001266604368 1082190780 /nfs/dbraw/zinc/19/07/80/1082190780.db2.gz BRYQWFUSUFSVRT-UHFFFAOYSA-N 0 3 318.465 2.293 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cnccn2)C1 ZINC001266614652 1082214163 /nfs/dbraw/zinc/21/41/63/1082214163.db2.gz MQUXFWPVRPNCLM-XGUBFFRZSA-N 0 3 302.422 2.377 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](N[C@H](C)c2cnccn2)C1 ZINC001266614650 1082214266 /nfs/dbraw/zinc/21/42/66/1082214266.db2.gz MQUXFWPVRPNCLM-KBUPBQIOSA-N 0 3 302.422 2.377 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cnccn2)C1 ZINC001266614649 1082214426 /nfs/dbraw/zinc/21/44/26/1082214426.db2.gz MQUXFWPVRPNCLM-AJNGGQMLSA-N 0 3 302.422 2.377 20 30 DEEDHN C[C@H](N[C@H]1C[C@@H](NC(=O)CSCC#N)C1)c1ccccc1F ZINC001266668238 1082263389 /nfs/dbraw/zinc/26/33/89/1082263389.db2.gz RJFGRPQHDYPVST-RWMBFGLXSA-N 0 3 321.421 2.380 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCCO1 ZINC001266673646 1082269902 /nfs/dbraw/zinc/26/99/02/1082269902.db2.gz WDAYBQKVIJOPRE-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(F)c1 ZINC001482585422 1082281641 /nfs/dbraw/zinc/28/16/41/1082281641.db2.gz SCMYHJDIJUBNHQ-AWEZNQCLSA-N 0 3 308.397 2.480 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001266707935 1082297011 /nfs/dbraw/zinc/29/70/11/1082297011.db2.gz JGEVBSBNAPBORY-SOUVJXGZSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001266707934 1082297434 /nfs/dbraw/zinc/29/74/34/1082297434.db2.gz JGEVBSBNAPBORY-KFWWJZLASA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001266751806 1082321976 /nfs/dbraw/zinc/32/19/76/1082321976.db2.gz KLDLFFFDJQTELB-HUUCEWRRSA-N 0 3 318.392 2.054 20 30 DEEDHN CC[C@H](C)[C@@H](OC)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266752910 1082322687 /nfs/dbraw/zinc/32/26/87/1082322687.db2.gz VPAJMZCNRXPABW-WMLDXEAASA-N 0 3 317.433 2.167 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001266752731 1082323053 /nfs/dbraw/zinc/32/30/53/1082323053.db2.gz VZERSYARKGFJQL-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2c(c1)CCOC2 ZINC001482612030 1082394004 /nfs/dbraw/zinc/39/40/04/1082394004.db2.gz NGCNFRAPEHDLCL-UHFFFAOYSA-N 0 3 302.418 2.339 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001266856400 1082400324 /nfs/dbraw/zinc/40/03/24/1082400324.db2.gz QKMKMIZIPSTDLQ-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)OCc1ccccc1C ZINC001482616041 1082406706 /nfs/dbraw/zinc/40/67/06/1082406706.db2.gz KUTXURLQHZESFB-MRXNPFEDSA-N 0 3 304.434 2.476 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001482623132 1082417620 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C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272767319 1083989015 /nfs/dbraw/zinc/98/90/15/1083989015.db2.gz ZUXKOQXPMCSFSL-INIZCTEOSA-N 0 3 312.413 2.052 20 30 DEEDHN C[C@H](CCNCc1cc(F)ccc1F)NC(=O)C#CC1CC1 ZINC001272773207 1084007491 /nfs/dbraw/zinc/00/74/91/1084007491.db2.gz KTZJVCNAEWJINB-GFCCVEGCSA-N 0 3 306.356 2.363 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CCCC#CC)C1 ZINC001491046231 1084028908 /nfs/dbraw/zinc/02/89/08/1084028908.db2.gz VIPWJLCOZXSYIO-BETUJISGSA-N 0 3 313.239 2.325 20 30 DEEDHN CC#CCNC1(CNC(=O)c2sc(C(C)C)nc2C)CC1 ZINC001670900795 1084036579 /nfs/dbraw/zinc/03/65/79/1084036579.db2.gz YWXIBBWVNARAEB-UHFFFAOYSA-N 0 3 305.447 2.450 20 30 DEEDHN C#CCNC1(CNC(=O)c2cscc2C(F)(F)F)CC1 ZINC001670912533 1084071299 /nfs/dbraw/zinc/07/12/99/1084071299.db2.gz ZJGVITCGORCWAX-UHFFFAOYSA-N 0 3 302.321 2.252 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001491118414 1084092007 /nfs/dbraw/zinc/09/20/07/1084092007.db2.gz PJVGVVZZUXILCP-JKSUJKDBSA-N 0 3 316.420 2.466 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCn2cccc2)C1 ZINC001491129463 1084094714 /nfs/dbraw/zinc/09/47/14/1084094714.db2.gz HIGAMQNRULGKSF-KRWDZBQOSA-N 0 3 301.434 2.120 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CN[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001491141449 1084106653 /nfs/dbraw/zinc/10/66/53/1084106653.db2.gz HLLZEZRHPSCBFV-KBPBESRZSA-N 0 3 319.453 2.223 20 30 DEEDHN CCO[C@H](CC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001277767721 1084139819 /nfs/dbraw/zinc/13/98/19/1084139819.db2.gz XWUIYUCYQXLUJU-SJLPKXTDSA-N 0 3 316.445 2.290 20 30 DEEDHN C#CCN(CCNC(=O)C(=O)C(C)(C)C)C1CCCCCC1 ZINC001670974507 1084179067 /nfs/dbraw/zinc/17/90/67/1084179067.db2.gz YBTCQQGCNJXTBD-UHFFFAOYSA-N 0 3 306.450 2.376 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001277894386 1084211700 /nfs/dbraw/zinc/21/17/00/1084211700.db2.gz ZJHHAFWJENCFKB-IRXDYDNUSA-N 0 3 316.445 2.360 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)co2)C1 ZINC001491292720 1084217253 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CC#CCCCC(=O)N[C@@H]1[C@H]2CN(CCOCCC(C)C)C[C@H]21 ZINC001114711732 1088202137 /nfs/dbraw/zinc/20/21/37/1088202137.db2.gz ZVDCRPGLVSZNJM-DZFIZOCASA-N 0 3 320.477 2.289 20 30 DEEDHN CC1CC(C(=O)N[C@H]2C[C@H](NCC#Cc3ccc(F)cc3)C2)C1 ZINC001490881990 1088234001 /nfs/dbraw/zinc/23/40/01/1088234001.db2.gz AGCCOELERWAQLP-ACNKZLISSA-N 0 3 314.404 2.460 20 30 DEEDHN Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001079592516 1088238912 /nfs/dbraw/zinc/23/89/12/1088238912.db2.gz JRWYDNJEDFGMMH-RDTXWAMCSA-N 0 3 322.412 2.445 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001079865513 1088456406 /nfs/dbraw/zinc/45/64/06/1088456406.db2.gz OOIBKBMZHQDULV-RPVQJOFSSA-N 0 3 314.429 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001079870121 1088458736 /nfs/dbraw/zinc/45/87/36/1088458736.db2.gz UOWHWRUJEWDFNT-CZUORRHYSA-N 0 3 319.449 2.355 20 30 DEEDHN CCN(Cc1cnoc1C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957691889 1088550969 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ZGJLRYDGBYAVMJ-VIKVFOODSA-N 0 3 312.369 2.287 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCc1cccc(Cl)n1 ZINC000959926809 1089851734 /nfs/dbraw/zinc/85/17/34/1089851734.db2.gz WNQZACOERAPSJQ-OCCSQVGLSA-N 0 3 320.824 2.365 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccccc2Cl)[C@H](OC)C1 ZINC001082339550 1089865112 /nfs/dbraw/zinc/86/51/12/1089865112.db2.gz RXYOODDKHTYQMG-HUUCEWRRSA-N 0 3 308.809 2.345 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H](OC)C1 ZINC001082380691 1089913964 /nfs/dbraw/zinc/91/39/64/1089913964.db2.gz BURQCVRMHKONIB-CGTJXYLNSA-N 0 3 316.445 2.490 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC001082772343 1090073549 /nfs/dbraw/zinc/07/35/49/1090073549.db2.gz KUQRCTSAPQEDAU-MRVWCRGKSA-N 0 3 310.829 2.023 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](O)C1 ZINC001084020243 1090187348 /nfs/dbraw/zinc/18/73/48/1090187348.db2.gz AKQPFMKDDUARET-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2nc(C)sc2C)C1 ZINC001098903444 1090276638 /nfs/dbraw/zinc/27/66/38/1090276638.db2.gz OTDYLQQKAFLKSC-YOEHRIQHSA-N 0 3 319.474 2.459 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C4CC4)n(C)n3)[C@@H]2C1 ZINC001084391100 1090286529 /nfs/dbraw/zinc/28/65/29/1090286529.db2.gz NZSKQNKWAFHYJO-RHSMWYFYSA-N 0 3 314.433 2.020 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3scnc3C)[C@@H]2C1 ZINC001084751106 1090422390 /nfs/dbraw/zinc/42/23/90/1090422390.db2.gz URTMAKYXFLCVDX-HUUCEWRRSA-N 0 3 319.474 2.493 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]21 ZINC001084954365 1090543810 /nfs/dbraw/zinc/54/38/10/1090543810.db2.gz DPDQPPJXXOCAMD-KFWWJZLASA-N 0 3 310.388 2.368 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1ccc(C)nc1)CC2 ZINC001273258995 1090626053 /nfs/dbraw/zinc/62/60/53/1090626053.db2.gz JFTXPHNMVALZIO-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OCC ZINC001098948946 1090636949 /nfs/dbraw/zinc/63/69/49/1090636949.db2.gz JZYUBWXWYMUONX-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1CC12CC2)NCc1ccc(C#N)s1 ZINC001410430620 1090648594 /nfs/dbraw/zinc/64/85/94/1090648594.db2.gz GXNJWGRWMOCBGQ-BXUZGUMPSA-N 0 3 303.431 2.356 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C[C@@H]21 ZINC001085106388 1090649335 /nfs/dbraw/zinc/64/93/35/1090649335.db2.gz ORIPMJWFSNEBKI-NXHRZFHOSA-N 0 3 324.424 2.109 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCO1 ZINC001085171474 1090691753 /nfs/dbraw/zinc/69/17/53/1090691753.db2.gz RIGXUBCGZHKQLA-MGPQQGTHSA-N 0 3 300.830 2.325 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3ccnnc3)CC2)C1=O ZINC001273272317 1090699784 /nfs/dbraw/zinc/69/97/84/1090699784.db2.gz ZEVGNPDVJAXXCI-SFHVURJKSA-N 0 3 314.433 2.257 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3ccc(O)cc3Cl)C2)C1=O ZINC001273295669 1090759450 /nfs/dbraw/zinc/75/94/50/1090759450.db2.gz UQHOGGWJUMJNAN-QGZVFWFLSA-N 0 3 318.804 2.103 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2cc(C)c(Cl)cc2C)CCO1 ZINC001273300562 1090791243 /nfs/dbraw/zinc/79/12/43/1090791243.db2.gz LIOLMGUVBAWACO-CQSZACIVSA-N 0 3 320.820 2.021 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)CC1 ZINC001066194607 1091008556 /nfs/dbraw/zinc/00/85/56/1091008556.db2.gz USSJOXYQFCKRLG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC=C)cc1 ZINC001273352527 1091076574 /nfs/dbraw/zinc/07/65/74/1091076574.db2.gz KBMHZQKCSOMIAQ-RTBURBONSA-N 0 3 324.424 2.450 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001273360883 1091090389 /nfs/dbraw/zinc/09/03/89/1091090389.db2.gz XDEZTEZTCBZULI-SFHVURJKSA-N 0 3 300.402 2.175 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1[O-] ZINC001273360883 1091090393 /nfs/dbraw/zinc/09/03/93/1091090393.db2.gz XDEZTEZTCBZULI-SFHVURJKSA-N 0 3 300.402 2.175 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CC)CCNCc1csc(C)c1 ZINC001273373376 1091108914 /nfs/dbraw/zinc/10/89/14/1091108914.db2.gz AHBNXHLTGYVFPF-AWEZNQCLSA-N 0 3 308.447 2.033 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cnc(F)c(C)c3)C2)C1=O ZINC001274233546 1091144308 /nfs/dbraw/zinc/14/43/08/1091144308.db2.gz DHMRTQSQOXQBNC-QGZVFWFLSA-N 0 3 303.381 2.140 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274300494 1091177054 /nfs/dbraw/zinc/17/70/54/1091177054.db2.gz JXXUBSPMGMMYLN-LJQANCHMSA-N 0 3 312.413 2.291 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274300494 1091177061 /nfs/dbraw/zinc/17/70/61/1091177061.db2.gz JXXUBSPMGMMYLN-LJQANCHMSA-N 0 3 312.413 2.291 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC001273399843 1091192837 /nfs/dbraw/zinc/19/28/37/1091192837.db2.gz ORHMKYLXBWJWNC-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCCC(=O)N1CCN(C2CN(CCC(C)(C)C)C2)CC1 ZINC001274468355 1091259868 /nfs/dbraw/zinc/25/98/68/1091259868.db2.gz TZPLKHFFWMZKLI-UHFFFAOYSA-N 0 3 319.493 2.055 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CN(C[C@H](C)CC)C2)CC1 ZINC001274474268 1091262040 /nfs/dbraw/zinc/26/20/40/1091262040.db2.gz IBCAJDYDHSDRSL-IAGOWNOFSA-N 0 3 321.509 2.463 20 30 DEEDHN O=C(CC#Cc1ccccc1)NC/C=C\CNC/C=C/Cl ZINC001274599953 1091318291 /nfs/dbraw/zinc/31/82/91/1091318291.db2.gz MFSFFOATIFKESI-HCRNJAACSA-N 0 3 302.805 2.443 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)c1ccco1 ZINC001274659961 1091355414 /nfs/dbraw/zinc/35/54/14/1091355414.db2.gz VGFIKHFSNQUSFJ-CYBMUJFWSA-N 0 3 300.333 2.178 20 30 DEEDHN CCCOCC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001274693355 1091372854 /nfs/dbraw/zinc/37/28/54/1091372854.db2.gz IKIPERDQUBLKMH-CQSZACIVSA-N 0 3 322.836 2.212 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1cnc(C)cn1 ZINC001274779490 1091410594 /nfs/dbraw/zinc/41/05/94/1091410594.db2.gz BXXYCYGDGYUHRB-GUYCJALGSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001274803783 1091420638 /nfs/dbraw/zinc/42/06/38/1091420638.db2.gz IVRZIIIHYFXGBH-IHRRRGAJSA-N 0 3 300.830 2.205 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cc(F)cnc3C)C2)C1=O ZINC001274816440 1091424145 /nfs/dbraw/zinc/42/41/45/1091424145.db2.gz MDKPIAVNNJBHBS-KRWDZBQOSA-N 0 3 303.381 2.140 20 30 DEEDHN CC#CCN1CCN(CCCCCNC(=O)/C(C)=C/CC)CC1 ZINC001274872914 1091454262 /nfs/dbraw/zinc/45/42/62/1091454262.db2.gz ZWJGJYNFAHUUCQ-VCHYOVAHSA-N 0 3 319.493 2.270 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@H](C)c2n[nH]c(C)n2)CCC1 ZINC001274913708 1091473661 /nfs/dbraw/zinc/47/36/61/1091473661.db2.gz SJQLZGDGBKCMKH-VXGBXAGGSA-N 0 3 305.426 2.015 20 30 DEEDHN C#Cc1cccc(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c1 ZINC001276096037 1091546791 /nfs/dbraw/zinc/54/67/91/1091546791.db2.gz AYFCNPDYMSEYCX-PMACEKPBSA-N 0 3 310.441 2.496 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]1CN(C)CCOCC1CCC1 ZINC001275108748 1091562372 /nfs/dbraw/zinc/56/23/72/1091562372.db2.gz PELNARSBQSFFCK-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CC[C@@H](C(=O)N1CCC[C@H]1CN(C)CCO)c1ccccc1 ZINC001275167960 1091597989 /nfs/dbraw/zinc/59/79/89/1091597989.db2.gz TVZBYTBIZZSJRS-ZWKOTPCHSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCCCC(=O)NC1CC(CN[C@H](C)c2cnccn2)C1 ZINC001275279366 1091649593 /nfs/dbraw/zinc/64/95/93/1091649593.db2.gz STQAOKRHWOSZSC-WLYUNCDWSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CC2([C@H]3CCCCO3)CCC2)C1=O ZINC001307725138 1091650498 /nfs/dbraw/zinc/65/04/98/1091650498.db2.gz LZSJCWCQTGBIEI-HZPDHXFCSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C1CCCCC1 ZINC001275368244 1091695355 /nfs/dbraw/zinc/69/53/55/1091695355.db2.gz WQWZJTSEKCZWEN-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2cnn(C)c2)CC1 ZINC001275481403 1091789334 /nfs/dbraw/zinc/78/93/34/1091789334.db2.gz LFUBRXVZNNQKLR-KBPBESRZSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CC1(CC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001275517669 1091822456 /nfs/dbraw/zinc/82/24/56/1091822456.db2.gz YODFNLOYDWNPPX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN COCc1cccc(CN(C)C[C@H](C)NC(=O)C#CC2CC2)c1 ZINC001275552478 1091852366 /nfs/dbraw/zinc/85/23/66/1091852366.db2.gz RIRXTPQUAPXPPT-HNNXBMFYSA-N 0 3 314.429 2.183 20 30 DEEDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273606582 1091952295 /nfs/dbraw/zinc/95/22/95/1091952295.db2.gz YTBDKQWNHRAGJX-KBXCAEBGSA-N 0 3 312.417 2.176 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc(F)c1OCC ZINC001273680667 1091993559 /nfs/dbraw/zinc/99/35/59/1091993559.db2.gz ISHXFNZMVNIQGW-UHFFFAOYSA-N 0 3 306.381 2.299 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CC(C)(C)CNCc1nccn1C ZINC001275704290 1092021128 /nfs/dbraw/zinc/02/11/28/1092021128.db2.gz MYYZXQZKTUMZGP-UHFFFAOYSA-N 0 3 306.454 2.207 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)CCCCN2CCC(=O)OC(C)(C)C ZINC001273787424 1092049877 /nfs/dbraw/zinc/04/98/77/1092049877.db2.gz AJGDBYWUBOPCBK-GOSISDBHSA-N 0 3 322.449 2.361 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC[C@H]3C[C@H]31)CCO2 ZINC000949129293 1092055492 /nfs/dbraw/zinc/05/54/92/1092055492.db2.gz FFXLDFLPMGGHEL-GVDBMIGSSA-N 0 3 318.461 2.302 20 30 DEEDHN CC(C)CCN1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000949358513 1092120380 /nfs/dbraw/zinc/12/03/80/1092120380.db2.gz YGXGNAYVPOJKCA-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001275819921 1092178485 /nfs/dbraw/zinc/17/84/85/1092178485.db2.gz WLBSMDFEKGHMFU-HNNXBMFYSA-N 0 3 314.429 2.313 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001275844814 1092215923 /nfs/dbraw/zinc/21/59/23/1092215923.db2.gz NVENHURNJWWZON-GFCCVEGCSA-N 0 3 306.454 2.491 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCOCC(F)(F)F ZINC001275897347 1092280785 /nfs/dbraw/zinc/28/07/85/1092280785.db2.gz LWISUOZCEORHBT-NSHDSACASA-N 0 3 310.360 2.214 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1csc(Cl)n1 ZINC001275970796 1092404304 /nfs/dbraw/zinc/40/43/04/1092404304.db2.gz RJSMSRIAIFVUQV-JTQLQIEISA-N 0 3 317.842 2.049 20 30 DEEDHN C=CCCC(=O)NC/C=C\CNC[C@@H]1COc2ccccc2O1 ZINC001273900684 1092491440 /nfs/dbraw/zinc/49/14/40/1092491440.db2.gz KKQOWUURGHLCKX-IDTUSYRASA-N 0 3 316.401 2.055 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1csc(C)n1 ZINC001488667988 1092673967 /nfs/dbraw/zinc/67/39/67/1092673967.db2.gz SPQGMSNEARWRSO-OAHLLOKOSA-N 0 3 307.463 2.493 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001489194501 1092969359 /nfs/dbraw/zinc/96/93/59/1092969359.db2.gz TYYDFGOSQKESJZ-KGLIPLIRSA-N 0 3 316.367 2.379 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C1(C)CCCCCC1 ZINC001490207342 1093226295 /nfs/dbraw/zinc/22/62/95/1093226295.db2.gz DVQNQFPVAZZKIW-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1ccccc1OC(C)C ZINC001490259375 1093286540 /nfs/dbraw/zinc/28/65/40/1093286540.db2.gz UAARJTMMCFJAMU-UHFFFAOYSA-N 0 3 316.445 2.478 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1n[nH]c(C)n1 ZINC001490305235 1093286858 /nfs/dbraw/zinc/28/68/58/1093286858.db2.gz FBLCERMJWXQCQB-DZGCQCFKSA-N 0 3 319.453 2.329 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC001490434931 1093379765 /nfs/dbraw/zinc/37/97/65/1093379765.db2.gz VXBKFCLTHXMHBS-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C(C)=C2CCCC2)CC1 ZINC001490486707 1093389755 /nfs/dbraw/zinc/38/97/55/1093389755.db2.gz IXPUJJNNEDREHJ-UHFFFAOYSA-N 0 3 305.466 2.187 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC001490586621 1093432334 /nfs/dbraw/zinc/43/23/34/1093432334.db2.gz INTFAUAEFLKWMI-RHSMWYFYSA-N 0 3 322.412 2.189 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cn1ccnc1C(C)C)C1CC1 ZINC001490716655 1093479578 /nfs/dbraw/zinc/47/95/78/1093479578.db2.gz JXXIZNASDOMONC-CQSZACIVSA-N 0 3 324.856 2.243 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)NCc2ccc(COCC)cc2)C1 ZINC000886360322 1093744841 /nfs/dbraw/zinc/74/48/41/1093744841.db2.gz UMCVACITVIRZMK-QGZVFWFLSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C\CNCc1cc(C)sc1C ZINC001274024134 1093769859 /nfs/dbraw/zinc/76/98/59/1093769859.db2.gz GKIGRRDMOOAFMR-LMVHVUTASA-N 0 3 320.458 2.165 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001274026875 1093773283 /nfs/dbraw/zinc/77/32/83/1093773283.db2.gz UCZWLZWOQOQOJC-JBZXTQMFSA-N 0 3 302.443 2.445 20 30 DEEDHN N#CCCCN1CCC2(C[C@@H]2C(=O)NCC(F)(F)F)CC1 ZINC001274038704 1093777360 /nfs/dbraw/zinc/77/73/60/1093777360.db2.gz MNRIBNOJSCDIKI-LLVKDONJSA-N 0 3 303.328 2.071 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](C)[C@H](NCc2ccccn2)C1 ZINC001274178485 1093837604 /nfs/dbraw/zinc/83/76/04/1093837604.db2.gz ANYWBDCDFLBAAB-DOTOQJQBSA-N 0 3 317.433 2.001 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](CCC)c2ccccc2)CCO1 ZINC001280667011 1093843341 /nfs/dbraw/zinc/84/33/41/1093843341.db2.gz IABBBKVYOBGMFB-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001480196901 1151716580 /nfs/dbraw/zinc/71/65/80/1151716580.db2.gz NMKRMIFUQQNAON-LEWSCRJBSA-N 0 3 321.808 2.245 20 30 DEEDHN CCOc1ncc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001236693008 1138395175 /nfs/dbraw/zinc/39/51/75/1138395175.db2.gz SRTUWIGARFZUKK-CYBMUJFWSA-N 0 3 308.378 2.394 20 30 DEEDHN CCOC(=O)N1CCC(N(C)Cc2ccnc(C#N)c2)CC1 ZINC001237462184 1138641666 /nfs/dbraw/zinc/64/16/66/1138641666.db2.gz FTEIQRCFPVKKTR-UHFFFAOYSA-N 0 3 302.378 2.006 20 30 DEEDHN COC(=O)[C@H]1CCCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237467697 1138645127 /nfs/dbraw/zinc/64/51/27/1138645127.db2.gz YGRJIEUAMWKULE-AWEZNQCLSA-N 0 3 311.385 2.435 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2cn(C)c3ccc(C#N)cc23)CC12CC2 ZINC001237473042 1138646881 /nfs/dbraw/zinc/64/68/81/1138646881.db2.gz YYYYPUYLUAXWAX-INIZCTEOSA-N 0 3 323.396 2.435 20 30 DEEDHN C#CCN(C(=O)c1ccc(C#N)[nH]1)C1CCN(CC=C(C)C)CC1 ZINC001278145151 1138786497 /nfs/dbraw/zinc/78/64/97/1138786497.db2.gz YDKMSTLORPRDFB-UHFFFAOYSA-N 0 3 324.428 2.392 20 30 DEEDHN C=CCCC(=O)N[C@H](CNCc1cn(C)nc1C)C1CCCC1 ZINC001278223974 1138841945 /nfs/dbraw/zinc/84/19/45/1138841945.db2.gz HYZILOLPZBVGIJ-QGZVFWFLSA-N 0 3 318.465 2.459 20 30 DEEDHN CC(C)(C)OC(=O)C(C#N)c1nccnc1/C=C/C(C)(C)O ZINC001239148400 1138962771 /nfs/dbraw/zinc/96/27/71/1138962771.db2.gz IRJQOKPTXQCVDE-XUIVZRPNSA-N 0 3 303.362 2.210 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H](CNCCF)C1CCCC1 ZINC001278289327 1138966808 /nfs/dbraw/zinc/96/68/08/1138966808.db2.gz QUFJDPPDSFUSHA-GOSISDBHSA-N 0 3 316.420 2.445 20 30 DEEDHN CN1CCN(Cc2cccc(-c3ncc(C#N)cc3C#N)c2)CC1 ZINC001240279906 1139316332 /nfs/dbraw/zinc/31/63/32/1139316332.db2.gz AKGOOXYAFSNHJT-UHFFFAOYSA-N 0 3 317.396 2.239 20 30 DEEDHN CCc1nc(C#N)cc(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC001240402132 1139358491 /nfs/dbraw/zinc/35/84/91/1139358491.db2.gz JMCYXJSQSOSUBH-UHFFFAOYSA-N 0 3 321.428 2.325 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001295262867 1139362151 /nfs/dbraw/zinc/36/21/51/1139362151.db2.gz CTVGBMWZXPFRLC-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)NCc2ccnc(N(C)C)c2)C1 ZINC001491577240 1140170798 /nfs/dbraw/zinc/17/07/98/1140170798.db2.gz RDLACQSPTNXQLI-AWEZNQCLSA-N 0 3 316.449 2.098 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC001491696501 1140259347 /nfs/dbraw/zinc/25/93/47/1140259347.db2.gz FUJGVESTGAUUHG-JEYLPNPQSA-N 0 3 302.393 2.437 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001491751618 1140295808 /nfs/dbraw/zinc/29/58/08/1140295808.db2.gz PRGTXYUXOLEFCW-HOTGVXAUSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001318415331 1140321118 /nfs/dbraw/zinc/32/11/18/1140321118.db2.gz XZFQZFFCHLYLHM-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC001318425721 1140326951 /nfs/dbraw/zinc/32/69/51/1140326951.db2.gz WGBXSDLFMUEZAK-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cccc2)C1 ZINC001318444574 1140331027 /nfs/dbraw/zinc/33/10/27/1140331027.db2.gz FZFHJPFOJORUNA-IAGOWNOFSA-N 0 3 319.449 2.175 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001318446314 1140333276 /nfs/dbraw/zinc/33/32/76/1140333276.db2.gz UQTTTXSQNMPNFC-HZPDHXFCSA-N 0 3 304.438 2.170 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCc2cccc(F)c2F)C1 ZINC001318454568 1140334469 /nfs/dbraw/zinc/33/44/69/1140334469.db2.gz VERHRDAVENRHOS-HNNXBMFYSA-N 0 3 320.383 2.453 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001318484119 1140345413 /nfs/dbraw/zinc/34/54/13/1140345413.db2.gz VBZAAJMJXANCOO-ZIAGYGMSSA-N 0 3 318.408 2.403 20 30 DEEDHN CCc1cc(C(=O)NC[C@H](CC)NCC#Cc2ccccc2)[nH]n1 ZINC001318503613 1140353202 /nfs/dbraw/zinc/35/32/02/1140353202.db2.gz QARWEBJKASYOPD-KRWDZBQOSA-N 0 3 324.428 2.122 20 30 DEEDHN C=CCCC(=O)N1CCC(CCN[C@@H](C)c2nncn2C)CC1 ZINC001318875475 1140451152 /nfs/dbraw/zinc/45/11/52/1140451152.db2.gz WLDFSUIIEMZDIW-AWEZNQCLSA-N 0 3 319.453 2.061 20 30 DEEDHN O=C(C#CC1CC1)N1CCC(CCNCc2nccs2)CC1 ZINC001318886482 1140451758 /nfs/dbraw/zinc/45/17/58/1140451758.db2.gz RWQHVTBOXOSZNF-UHFFFAOYSA-N 0 3 317.458 2.275 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cnc(CC3CC3)s2)C1 ZINC001278391790 1140497310 /nfs/dbraw/zinc/49/73/10/1140497310.db2.gz QVUVJZWKCPVULO-JSGCOSHPSA-N 0 3 317.458 2.312 20 30 DEEDHN C=CCCC(=O)NCC1(NCC(=O)NC2CCCC2)CCCC1 ZINC001319340288 1140552137 /nfs/dbraw/zinc/55/21/37/1140552137.db2.gz JVXQMWNOKSQVKZ-UHFFFAOYSA-N 0 3 321.465 2.030 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCc1cn(C)nc1C ZINC001319514266 1140606061 /nfs/dbraw/zinc/60/60/61/1140606061.db2.gz JULPCAJJKHWBJO-ZFWWWQNUSA-N 0 3 306.454 2.267 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)/C=C/c1ccco1 ZINC001319603961 1140623740 /nfs/dbraw/zinc/62/37/40/1140623740.db2.gz UKPFPKJCQLYIAG-FDMDGMSGSA-N 0 3 318.417 2.063 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CN[C@@H](C)C(=O)NC)C1CCCCC1 ZINC001319652528 1140642874 /nfs/dbraw/zinc/64/28/74/1140642874.db2.gz YVHAVCZELSRSMV-HOCLYGCPSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)Cc1ccn(C)n1 ZINC001319749369 1140703248 /nfs/dbraw/zinc/70/32/48/1140703248.db2.gz DZZJGHAEIWNCOT-HNNXBMFYSA-N 0 3 324.856 2.076 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C2CC2)nn1CC ZINC001320009276 1140811967 /nfs/dbraw/zinc/81/19/67/1140811967.db2.gz HZIWYPDSTLHOLU-UHFFFAOYSA-N 0 3 304.438 2.360 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001320015967 1140813021 /nfs/dbraw/zinc/81/30/21/1140813021.db2.gz GHTCNQYPUAGDJY-HNNXBMFYSA-N 0 3 316.449 2.190 20 30 DEEDHN Cc1oncc1CN1CC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@@H]21 ZINC001320103390 1140822806 /nfs/dbraw/zinc/82/28/06/1140822806.db2.gz KILIQZGJNMQNLH-WBVHZDCISA-N 0 3 315.417 2.065 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1ccn(C)n1 ZINC001320167418 1140832473 /nfs/dbraw/zinc/83/24/73/1140832473.db2.gz VEHRXEZPFTURSI-GDBMZVCRSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001320294988 1140845414 /nfs/dbraw/zinc/84/54/14/1140845414.db2.gz SNLZEYSWBVORRR-GDBMZVCRSA-N 0 3 305.422 2.007 20 30 DEEDHN Cc1conc1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001320589435 1140883367 /nfs/dbraw/zinc/88/33/67/1140883367.db2.gz AVVYOPQNMBAFBU-ZDUSSCGKSA-N 0 3 312.373 2.153 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1C[C@@H]1C ZINC001320672082 1140892663 /nfs/dbraw/zinc/89/26/63/1140892663.db2.gz IZXSOOANJPJSQO-WFASDCNBSA-N 0 3 303.381 2.291 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C1(C)C(C)(C)C1(C)C ZINC001320933237 1140997721 /nfs/dbraw/zinc/99/77/21/1140997721.db2.gz ZNYVBHMSVUTRFJ-UHFFFAOYSA-N 0 3 308.466 2.147 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)CC(F)(F)F)c1 ZINC001320986762 1141021105 /nfs/dbraw/zinc/02/11/05/1141021105.db2.gz VDMXUVUULFWNRM-OWOJBTEDSA-N 0 3 311.307 2.273 20 30 DEEDHN C=CCOCC(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC001320998281 1141022986 /nfs/dbraw/zinc/02/29/86/1141022986.db2.gz OBSDOMIGCKOTSF-CWIOURORSA-N 0 3 318.392 2.278 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001321037970 1141036277 /nfs/dbraw/zinc/03/62/77/1141036277.db2.gz AZLNVALHKKVBLK-OOFWQKGWSA-N 0 3 320.408 2.223 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001321305123 1141137917 /nfs/dbraw/zinc/13/79/17/1141137917.db2.gz QPEGTFUQWOYADQ-WAYWQWQTSA-N 0 3 306.793 2.248 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001321392682 1141226547 /nfs/dbraw/zinc/22/65/47/1141226547.db2.gz QHSALFJPAVVZLT-NSCUHMNNSA-N 0 3 308.385 2.271 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001321652192 1141322341 /nfs/dbraw/zinc/32/23/41/1141322341.db2.gz FGRKYZUONWWOOL-XPKDYRNWSA-N 0 3 306.381 2.011 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001329623306 1148945945 /nfs/dbraw/zinc/94/59/45/1148945945.db2.gz JSEXZGLAMRVIFT-ZGRYLRDCSA-N 0 3 308.466 2.452 20 30 DEEDHN N#Cc1ccc(-c2noc(C[C@H]3CNCCO3)n2)c2ccccc12 ZINC001248351683 1141779483 /nfs/dbraw/zinc/77/94/83/1141779483.db2.gz HQBIRLGBVNVGGY-ZDUSSCGKSA-N 0 3 320.352 2.292 20 30 DEEDHN Cn1ccc(C(=O)N[C@H](CNCC#Cc2ccccc2)C2CC2)c1 ZINC001322987005 1141789996 /nfs/dbraw/zinc/78/99/96/1141789996.db2.gz PXXJIVCTKRMJGY-LJQANCHMSA-N 0 3 321.424 2.175 20 30 DEEDHN Cc1ncc(CNC[C@@H](NC(=O)C#CC(C)(C)C)C2CC2)s1 ZINC001322999995 1141797942 /nfs/dbraw/zinc/79/79/42/1141797942.db2.gz LGKBPROEUQBVIE-OAHLLOKOSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ncccc1OC ZINC001323340250 1141843897 /nfs/dbraw/zinc/84/38/97/1141843897.db2.gz MUGYIZQXGHBCHI-ZIAGYGMSSA-N 0 3 303.406 2.249 20 30 DEEDHN N#Cc1ccc(Oc2ccc(-c3noc([C@H](N)CN)n3)cc2)cc1 ZINC001249127274 1141852173 /nfs/dbraw/zinc/85/21/73/1141852173.db2.gz JHTWOGTYLPWLMY-OAHLLOKOSA-N 0 3 321.340 2.359 20 30 DEEDHN C=CCCCNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001323459519 1141855076 /nfs/dbraw/zinc/85/50/76/1141855076.db2.gz WJXDJPUCLSVBBD-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2(NCc3cncc(C)c3)CC2)cc1 ZINC001323509064 1141860651 /nfs/dbraw/zinc/86/06/51/1141860651.db2.gz QZXGMSLEEUFGRO-UHFFFAOYSA-N 0 3 319.408 2.424 20 30 DEEDHN CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001323684775 1141876497 /nfs/dbraw/zinc/87/64/97/1141876497.db2.gz PZZOENWRPWAZJR-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccccc3OCOC)no2)CCCN1 ZINC001249352186 1141877450 /nfs/dbraw/zinc/87/74/50/1141877450.db2.gz XEAPGMLXWKRAKD-QGZVFWFLSA-N 0 3 313.357 2.321 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCn2nc(C)cc2C)[C@H]1C ZINC001278515296 1141877645 /nfs/dbraw/zinc/87/76/45/1141877645.db2.gz FDMHIEAQMGBLGN-SJORKVTESA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@@H](O)COc2ccccc2Cl)C1 ZINC001323727068 1141881233 /nfs/dbraw/zinc/88/12/33/1141881233.db2.gz FQXPJNHVJUTMFH-ZIAGYGMSSA-N 0 3 311.809 2.357 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3(CCF)CC3)C2)C1 ZINC001323813911 1141889624 /nfs/dbraw/zinc/88/96/24/1141889624.db2.gz VIEVUYWACJBUCG-KRWDZBQOSA-N 0 3 306.425 2.464 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CC#Cc3ccccc3)C2)C1 ZINC001323872289 1141895483 /nfs/dbraw/zinc/89/54/83/1141895483.db2.gz KSWOBLMXPGUWKG-OAQYLSRUSA-N 0 3 320.436 2.376 20 30 DEEDHN C#CCN(C)Cc1ccc(OCCCC(=O)OCC)cc1O ZINC001249737923 1142015865 /nfs/dbraw/zinc/01/58/65/1142015865.db2.gz NUTQPIAVNFOMFQ-UHFFFAOYSA-N 0 3 305.374 2.179 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CC(C)=C(C)C ZINC001324214075 1142032062 /nfs/dbraw/zinc/03/20/62/1142032062.db2.gz VBXWMETUEGHXOS-JKSUJKDBSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1(C)CCN(CCn2cccn2)CC1 ZINC001324329055 1142056937 /nfs/dbraw/zinc/05/69/37/1142056937.db2.gz MCDIPJZNJKVJMP-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN C#CCN(C(=O)C(=O)C(C)(C)C)C1CCN(CC[C@H](C)F)CC1 ZINC001324376517 1142066235 /nfs/dbraw/zinc/06/62/35/1142066235.db2.gz FKZMNYLIHPWARD-AWEZNQCLSA-N 0 3 324.440 2.276 20 30 DEEDHN C#CCN(C(=O)Cc1cnoc1)C1CCN(CC=C(C)C)CC1 ZINC001324412471 1142072773 /nfs/dbraw/zinc/07/27/73/1142072773.db2.gz BEHBDMOLZVKVCG-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCc2cccnc21)C1CCN(CC=C)CC1 ZINC001324413154 1142073265 /nfs/dbraw/zinc/07/32/65/1142073265.db2.gz IOVSTEHUAJVVEW-GOSISDBHSA-N 0 3 323.440 2.224 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@H](CNCc2oc(C)nc2C)C1 ZINC001278560282 1142142890 /nfs/dbraw/zinc/14/28/90/1142142890.db2.gz YRBTVUJAEDCKGY-JKSUJKDBSA-N 0 3 317.433 2.469 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2cccc(F)c2)cc1F ZINC001250831746 1142329783 /nfs/dbraw/zinc/32/97/83/1142329783.db2.gz RPSPDHZQBZYDRY-HNNXBMFYSA-N 0 3 318.323 2.366 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(F)cc2F)s1 ZINC001250878440 1142344276 /nfs/dbraw/zinc/34/42/76/1142344276.db2.gz BNIYKZLWYOYNCS-NSHDSACASA-N 0 3 324.352 2.427 20 30 DEEDHN N#Cc1csc(CNC[C@@H](O)COc2ccc(F)cc2F)c1 ZINC001250887467 1142345104 /nfs/dbraw/zinc/34/51/04/1142345104.db2.gz FORQEODAZLRGOD-GFCCVEGCSA-N 0 3 324.352 2.427 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@](O)(CNCC2(C#N)CCCC2)C1 ZINC001251439828 1142433708 /nfs/dbraw/zinc/43/37/08/1142433708.db2.gz PXMIEHMNNJBFTE-QGZVFWFLSA-N 0 3 323.437 2.032 20 30 DEEDHN C#CCOC[C@@H](O)CN(C)Cc1cc(Cl)cc(Cl)c1 ZINC001251860818 1142527034 /nfs/dbraw/zinc/52/70/34/1142527034.db2.gz UXDIETQTBUUXIV-AWEZNQCLSA-N 0 3 302.201 2.436 20 30 DEEDHN C#CCOC[C@@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC001251891187 1142534289 /nfs/dbraw/zinc/53/42/89/1142534289.db2.gz NTIGIEOKZIGYFK-AWEZNQCLSA-N 0 3 313.319 2.295 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001278658424 1142681283 /nfs/dbraw/zinc/68/12/83/1142681283.db2.gz FXEHRPNUVMJAHG-AEFFLSMTSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC2(CC(=O)c3ccccc32)CC1 ZINC001252471190 1142724514 /nfs/dbraw/zinc/72/45/14/1142724514.db2.gz CZYJBOYECMINJR-HNNXBMFYSA-N 0 3 315.413 2.170 20 30 DEEDHN C=CCOC[C@@H](O)CN[C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001252497929 1142736766 /nfs/dbraw/zinc/73/67/66/1142736766.db2.gz BWWDIXREDMKIJB-FZMZJTMJSA-N 0 3 320.216 2.180 20 30 DEEDHN C=CCC[C@H](O)CNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C)n1 ZINC001252590927 1142773140 /nfs/dbraw/zinc/77/31/40/1142773140.db2.gz GDYLJJXRDDHGIE-GUTXKFCHSA-N 0 3 320.437 2.138 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)C2CCCCC2)CC1 ZINC001252602064 1142783125 /nfs/dbraw/zinc/78/31/25/1142783125.db2.gz KEOBDTJBQCUEPA-KRWDZBQOSA-N 0 3 308.466 2.428 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252943422 1142832792 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COc1cccc(OC[C@H](O)CNCc2cc(C#N)cs2)c1 ZINC001253983662 1143017345 /nfs/dbraw/zinc/01/73/45/1143017345.db2.gz IQKDHNBRRSVHFD-CYBMUJFWSA-N 0 3 318.398 2.158 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC001339862130 1143142361 /nfs/dbraw/zinc/14/23/61/1143142361.db2.gz SIIDNNGHPCFEGL-AWEZNQCLSA-N 0 3 303.362 2.265 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(C)cc1 ZINC001353203042 1151816512 /nfs/dbraw/zinc/81/65/12/1151816512.db2.gz KWCALCDOXMRFRB-HOTGVXAUSA-N 0 3 318.417 2.399 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC001340200982 1143300501 /nfs/dbraw/zinc/30/05/01/1143300501.db2.gz URWUDAVFUQBMFV-HIFRSBDPSA-N 0 3 317.437 2.003 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC001254661745 1143302690 /nfs/dbraw/zinc/30/26/90/1143302690.db2.gz XUKQTKZDCYGYOB-GJZGRUSLSA-N 0 3 303.406 2.399 20 30 DEEDHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](N1CC(CC#N)C1)CCO2 ZINC001254819381 1143328091 /nfs/dbraw/zinc/32/80/91/1143328091.db2.gz 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C#CCN(CC)c1nnc([C@H]2CCCN(C)C2)n1CC(=C)C ZINC001342249353 1143806474 /nfs/dbraw/zinc/80/64/74/1143806474.db2.gz YPKOMGATJCPMRP-HNNXBMFYSA-N 0 3 301.438 2.123 20 30 DEEDHN C#C[C@H]1CCCN(C(CCC(=O)OCC)CCC(=O)OCC)C1 ZINC001256007595 1143820611 /nfs/dbraw/zinc/82/06/11/1143820611.db2.gz YTONOAGQPMIPHZ-HNNXBMFYSA-N 0 3 323.433 2.387 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001342513880 1143821559 /nfs/dbraw/zinc/82/15/59/1143821559.db2.gz DVZFDJUFMZVKLI-ZYHUDNBSSA-N 0 3 321.318 2.291 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCn2cc(C)nc2C1)C(C)C ZINC001278912206 1143830186 /nfs/dbraw/zinc/83/01/86/1143830186.db2.gz LZSWDGSBHIDNDU-MRXNPFEDSA-N 0 3 318.465 2.109 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001342778238 1143835899 /nfs/dbraw/zinc/83/58/99/1143835899.db2.gz KGRKPIHBDNBETL-ZFWWWQNUSA-N 0 3 318.417 2.493 20 30 DEEDHN CN(C(=O)[C@H](N)CCCC#N)c1ccc(Br)cc1 ZINC000723890860 1143846617 /nfs/dbraw/zinc/84/66/17/1143846617.db2.gz DXHVPSDBQMPPTO-GFCCVEGCSA-N 0 3 310.195 2.433 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](NC(=O)/C(C)=C/CC)C(C)(C)C ZINC001278945006 1143852265 /nfs/dbraw/zinc/85/22/65/1143852265.db2.gz FVYBXSRSBFHSKG-CMOQBRTCSA-N 0 3 323.481 2.154 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C2CCC(C#N)CC2)C1 ZINC001256965432 1143877045 /nfs/dbraw/zinc/87/70/45/1143877045.db2.gz UCDFNLSWLUKSMK-SHWKFHJASA-N 0 3 323.437 2.029 20 30 DEEDHN COc1cccnc1N1CCN(C2CCC(C#N)CC2)CC1 ZINC001256973327 1143877670 /nfs/dbraw/zinc/87/76/70/1143877670.db2.gz OXKPQCCDOXQLKV-UHFFFAOYSA-N 0 3 300.406 2.295 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cccc4ncccc43)C2)C1 ZINC001258462822 1144007433 /nfs/dbraw/zinc/00/74/33/1144007433.db2.gz NOLSQMDGXFSWOQ-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001261934148 1144282311 /nfs/dbraw/zinc/28/23/11/1144282311.db2.gz GZMUASRHGVJEJN-IRXDYDNUSA-N 0 3 317.433 2.070 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(CC(=O)OCC)c1 ZINC001263086658 1144354487 /nfs/dbraw/zinc/35/44/87/1144354487.db2.gz KYWOXEJFDXZCAY-HNNXBMFYSA-N 0 3 304.390 2.414 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001263260565 1144363698 /nfs/dbraw/zinc/36/36/98/1144363698.db2.gz FVSIMMSVXWYULD-FRRDWIJNSA-N 0 3 321.387 2.154 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cnc2c(c1)CNC2=O ZINC001263261701 1144364170 /nfs/dbraw/zinc/36/41/70/1144364170.db2.gz LPKGBIJXVWJXHC-CQSZACIVSA-N 0 3 318.421 2.341 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CN(C)Cc1ccccc1 ZINC001263823719 1144402589 /nfs/dbraw/zinc/40/25/89/1144402589.db2.gz VEDARWXMWARQRZ-GOSISDBHSA-N 0 3 315.461 2.227 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC001264179009 1144497191 /nfs/dbraw/zinc/49/71/91/1144497191.db2.gz DEOHBVSSSYGLAA-KRWDZBQOSA-N 0 3 317.433 2.211 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CC(=O)N(C)CC)CC(C)(C)C1 ZINC001264192891 1144503112 /nfs/dbraw/zinc/50/31/12/1144503112.db2.gz HZDWKHSCWNNHRS-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cccc(OCC)n1 ZINC001264367472 1144515055 /nfs/dbraw/zinc/51/50/55/1144515055.db2.gz ZGVPLQANFZIMAC-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccsc1Cl ZINC001264667754 1144588991 /nfs/dbraw/zinc/58/89/91/1144588991.db2.gz MQVLKSQKYAOUTN-UHFFFAOYSA-N 0 3 314.838 2.055 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@@H](C)OC)C2 ZINC001281085148 1144598915 /nfs/dbraw/zinc/59/89/15/1144598915.db2.gz HTKGUMBBWZQENB-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1c[nH]c2c1cccc2C ZINC001265043478 1144630959 /nfs/dbraw/zinc/63/09/59/1144630959.db2.gz OERQPCZBMGZXJT-UHFFFAOYSA-N 0 3 311.429 2.480 20 30 DEEDHN C=CCN1CC[C@H](N(CC)CCCNC(=O)CC(C)(C)C)C1=O ZINC001265099952 1144643348 /nfs/dbraw/zinc/64/33/48/1144643348.db2.gz SCAYNAROEAHCID-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc2ncn(C)c21)C1CC1 ZINC001265165720 1144658714 /nfs/dbraw/zinc/65/87/14/1144658714.db2.gz FFDZJNZFILPREJ-UHFFFAOYSA-N 0 3 324.428 2.181 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCCn2nc(C)cc2C)CC1 ZINC001265197409 1144664747 /nfs/dbraw/zinc/66/47/47/1144664747.db2.gz POTZHGSTFNAHCS-UHFFFAOYSA-N 0 3 318.465 2.389 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001265249960 1144675588 /nfs/dbraw/zinc/67/55/88/1144675588.db2.gz UQBOEKZLMGIBPZ-QZTJIDSGSA-N 0 3 321.509 2.369 20 30 DEEDHN C=C[C@@H](C(=O)NCCCN1CCN(CC)CC1)c1ccccc1 ZINC001265254579 1144676544 /nfs/dbraw/zinc/67/65/44/1144676544.db2.gz RWVVPCUQFYCMAU-GOSISDBHSA-N 0 3 315.461 2.100 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCc2ccccc2F)C1 ZINC001265317333 1144691811 /nfs/dbraw/zinc/69/18/11/1144691811.db2.gz NIOSIZZQAFTJMZ-INIZCTEOSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H](CC)NC(C)=O)CC1 ZINC001265341603 1144696306 /nfs/dbraw/zinc/69/63/06/1144696306.db2.gz VFFNYXBTPGYPMW-KRWDZBQOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1ccnn1C)C1CC1 ZINC001265356581 1144697866 /nfs/dbraw/zinc/69/78/66/1144697866.db2.gz 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/nfs/dbraw/zinc/74/84/68/1144748468.db2.gz RUTUSXCJGGIXQV-UHFFFAOYSA-N 0 3 310.401 2.152 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001265945647 1144765157 /nfs/dbraw/zinc/76/51/57/1144765157.db2.gz SCRCECXBUUBMRX-ZDUSSCGKSA-N 0 3 311.385 2.004 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001266055711 1144801065 /nfs/dbraw/zinc/80/10/65/1144801065.db2.gz INPGTWKYWYCUPT-ZIAGYGMSSA-N 0 3 305.447 2.464 20 30 DEEDHN C=CCCC(=O)NCC[C@H](C)NCc1cc2n(n1)CCCC2 ZINC001266131460 1144808607 /nfs/dbraw/zinc/80/86/07/1144808607.db2.gz XCMBGOUWRWWDMW-AWEZNQCLSA-N 0 3 304.438 2.170 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc2ccccc2[nH]c1=O)C1CC1 ZINC001266151970 1144809951 /nfs/dbraw/zinc/80/99/51/1144809951.db2.gz LBIVITFNXRVXIR-UHFFFAOYSA-N 0 3 323.396 2.158 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc2c1OCC2)C1CC1 ZINC001266161672 1144810822 /nfs/dbraw/zinc/81/08/22/1144810822.db2.gz BSGLZEPEEUBJSP-UHFFFAOYSA-N 0 3 312.413 2.229 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2ccoc2C)CC1 ZINC001279484463 1144823138 /nfs/dbraw/zinc/82/31/38/1144823138.db2.gz SLZKOCIKGOLABJ-UHFFFAOYSA-N 0 3 304.390 2.153 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2ccc(C)cc2F)C1 ZINC001279517745 1144823491 /nfs/dbraw/zinc/82/34/91/1144823491.db2.gz BCUNXBLCXMKIMZ-GOSISDBHSA-N 0 3 320.408 2.267 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cnn3c2CCC3)C1 ZINC001280072536 1144831558 /nfs/dbraw/zinc/83/15/58/1144831558.db2.gz GGTSOVJNHULVBW-CYBMUJFWSA-N 0 3 322.840 2.024 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2csc(=O)[nH]2)cc1 ZINC001280354866 1144836389 /nfs/dbraw/zinc/83/63/89/1144836389.db2.gz UWJINNBDNBYNNX-LLVKDONJSA-N 0 3 315.398 2.063 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(CC(C)C)CCCC2)CCO1 ZINC001280646995 1144848193 /nfs/dbraw/zinc/84/81/93/1144848193.db2.gz CRANPHZJORCUDO-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CCc1cccc(OC)c1 ZINC001280833202 1144858776 /nfs/dbraw/zinc/85/87/76/1144858776.db2.gz ULRAWLBRVQMGOA-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2ccc(Cl)nc2)[C@@H](C)C1 ZINC001281389209 1144886489 /nfs/dbraw/zinc/88/64/89/1144886489.db2.gz CULHHFCMSPVVES-ZFWWWQNUSA-N 0 3 319.836 2.475 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2nc(C)cs2)C[C@H]1C ZINC001281670682 1144904954 /nfs/dbraw/zinc/90/49/54/1144904954.db2.gz PRRADFIICXKBOY-HUUCEWRRSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)c2occc2C)CC1 ZINC001281788919 1144913870 /nfs/dbraw/zinc/91/38/70/1144913870.db2.gz REIYBVKQHCDARB-UHFFFAOYSA-N 0 3 319.449 2.292 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H]1Cc2ccccc2O1 ZINC001281939865 1144921183 /nfs/dbraw/zinc/92/11/83/1144921183.db2.gz MLRGABHPZJXMAQ-DLBZAZTESA-N 0 3 314.429 2.489 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CC(CNCc2cc(C)ncn2)C1 ZINC001282053029 1144936842 /nfs/dbraw/zinc/93/68/42/1144936842.db2.gz NYLCWGDKWQVGOM-JTTJXQCZSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)N(C)C[C@H]1CC(C)(C)CO1 ZINC001282444351 1145070335 /nfs/dbraw/zinc/07/03/35/1145070335.db2.gz PMMYDSUBSDZYMB-JKSUJKDBSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001282677709 1145122717 /nfs/dbraw/zinc/12/27/17/1145122717.db2.gz FMJWLAOXYKJJKD-NVXWUHKLSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001282718052 1145141701 /nfs/dbraw/zinc/14/17/01/1145141701.db2.gz WNYPFMMKWCWUNC-NVXWUHKLSA-N 0 3 318.465 2.483 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CCOCC(F)(F)F)C2)C1 ZINC001282965747 1145217698 /nfs/dbraw/zinc/21/76/98/1145217698.db2.gz AVCLVTILSBMHDK-UHFFFAOYSA-N 0 3 320.355 2.066 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2cc(C)ncn2)C1 ZINC001283080862 1145260058 /nfs/dbraw/zinc/26/00/58/1145260058.db2.gz SVBNZCVBMQAUCN-SHTZXODSSA-N 0 3 302.422 2.126 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001283465018 1145448369 /nfs/dbraw/zinc/44/83/69/1145448369.db2.gz OMLJEZLMAWRZMV-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1CC12CC2)NCC#Cc1ccc(F)cc1 ZINC001283682199 1145579792 /nfs/dbraw/zinc/57/97/92/1145579792.db2.gz YVQMFBGIIDSVLY-RHSMWYFYSA-N 0 3 314.404 2.414 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CO)N[C@H]1CCc2ccccc21 ZINC001283792243 1145648512 /nfs/dbraw/zinc/64/85/12/1145648512.db2.gz JVQDARCGPJZCBC-WBVHZDCISA-N 0 3 316.445 2.343 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@H]1C ZINC001283966302 1145729371 /nfs/dbraw/zinc/72/93/71/1145729371.db2.gz SKMHUHXKAYNTKU-HIFRSBDPSA-N 0 3 306.381 2.107 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@@H]1C ZINC001283967317 1145729900 /nfs/dbraw/zinc/72/99/00/1145729900.db2.gz XOTOAQZCXRJZIR-JSGCOSHPSA-N 0 3 324.371 2.246 20 30 DEEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C#CC1CC1 ZINC001283982196 1145736614 /nfs/dbraw/zinc/73/66/14/1145736614.db2.gz LAVHHMGLXWKNHW-APWZRJJASA-N 0 3 306.409 2.031 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001284015819 1145752791 /nfs/dbraw/zinc/75/27/91/1145752791.db2.gz VOVCROYRIPCWSP-ZYHUDNBSSA-N 0 3 310.319 2.320 20 30 DEEDHN CN(C(=O)C(C)(C)F)C1CC(NCC#Cc2ccccc2)C1 ZINC001284735713 1145897634 /nfs/dbraw/zinc/89/76/34/1145897634.db2.gz CTKSIHGAAGUWSD-UHFFFAOYSA-N 0 3 302.393 2.365 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)CN(C)C(C)C ZINC001285117724 1146029314 /nfs/dbraw/zinc/02/93/14/1146029314.db2.gz CHEXVJCFZYLEIX-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC001353369553 1151826931 /nfs/dbraw/zinc/82/69/31/1151826931.db2.gz HARVPUPDLDAGJE-CHWSQXEVSA-N 0 3 314.788 2.312 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)C1CN(C(=O)C(C)(C)N(C)CC)C1 ZINC001286209433 1146518610 /nfs/dbraw/zinc/51/86/10/1146518610.db2.gz SPYXKKYUCKLLCH-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc(C)n1C[C@H](c1cccs1)N(C)C ZINC001286279374 1146546192 /nfs/dbraw/zinc/54/61/92/1146546192.db2.gz VGJFEIOTURXSTO-GXTWGEPZSA-N 0 3 317.462 2.409 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001290744909 1146841624 /nfs/dbraw/zinc/84/16/24/1146841624.db2.gz OXNIDDZQCMBZEI-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001365945481 1146936537 /nfs/dbraw/zinc/93/65/37/1146936537.db2.gz PHZYJDIENUWYEX-HIFRSBDPSA-N 0 3 305.447 2.421 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccn(C(C)C)n2)C1 ZINC001491950924 1147015061 /nfs/dbraw/zinc/01/50/61/1147015061.db2.gz DEMAWEAXSSXLSJ-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ncoc2C(C)C)C1 ZINC001491955842 1147018492 /nfs/dbraw/zinc/01/84/92/1147018492.db2.gz DYCJKPUWBRWHFM-AWEZNQCLSA-N 0 3 303.406 2.358 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2cccn2cn1 ZINC001492041139 1147047356 /nfs/dbraw/zinc/04/73/56/1147047356.db2.gz DULGWNSQSFTUAD-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)CN(CC)CC)C1 ZINC001492209639 1147150922 /nfs/dbraw/zinc/15/09/22/1147150922.db2.gz UZXFJBDTUILRJG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](CNC(=O)[C@H](C)C(F)(F)F)NCc1ccc(C#N)s1 ZINC001366313263 1147205145 /nfs/dbraw/zinc/20/51/45/1147205145.db2.gz CAIQSHPKTZMJGX-IUCAKERBSA-N 0 3 319.352 2.412 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC12CCC2)NCc1ccc(C#N)c(F)c1 ZINC001366345632 1147225991 /nfs/dbraw/zinc/22/59/91/1147225991.db2.gz IXJXHFHTNYDEKD-IUODEOHRSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](CNC(=O)C[C@@H]1CCCOC1)NCc1ccc(C#N)s1 ZINC001366369444 1147238902 /nfs/dbraw/zinc/23/89/02/1147238902.db2.gz SHKMKZGTXSBHLB-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001317272088 1147311271 /nfs/dbraw/zinc/31/12/71/1147311271.db2.gz QNFQONCUFJLJAZ-HZPDHXFCSA-N 0 3 308.466 2.337 20 30 DEEDHN C=C1CCC(C(=O)NCCN(C)CCc2cnn(CC)c2)CC1 ZINC001317460370 1147385644 /nfs/dbraw/zinc/38/56/44/1147385644.db2.gz VQRRMUYBEFMIPB-UHFFFAOYSA-N 0 3 318.465 2.240 20 30 DEEDHN CC1CCN(CCNc2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC001306931697 1147394832 /nfs/dbraw/zinc/39/48/32/1147394832.db2.gz 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/nfs/dbraw/zinc/57/65/28/1147576528.db2.gz HIZLZPLVYNCKOB-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2nc(C)cs2)[C@H]1CC ZINC001316732461 1147592986 /nfs/dbraw/zinc/59/29/86/1147592986.db2.gz FYAGZKDYAXTKQJ-LSDHHAIUSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001316802224 1147602278 /nfs/dbraw/zinc/60/22/78/1147602278.db2.gz IJGLRZUBFDKMHR-RDJZCZTQSA-N 0 3 318.465 2.327 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001316802225 1147602590 /nfs/dbraw/zinc/60/25/90/1147602590.db2.gz IJGLRZUBFDKMHR-WBVHZDCISA-N 0 3 318.465 2.327 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001366890733 1147610070 /nfs/dbraw/zinc/61/00/70/1147610070.db2.gz XZKHQQKHSSWNGD-WMLDXEAASA-N 0 3 317.408 2.499 20 30 DEEDHN C#CCN(CCCNC(=O)c1cncn1-c1ccccc1)C1CC1 ZINC001316919035 1147631211 /nfs/dbraw/zinc/63/12/11/1147631211.db2.gz KHXSDPOWKHCGMW-UHFFFAOYSA-N 0 3 322.412 2.090 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CC[C@@H](C)C1)C1CC1 ZINC001316924846 1147632593 /nfs/dbraw/zinc/63/25/93/1147632593.db2.gz DZKIYKGKDIKBBK-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc(OCC)c1)C1CC1 ZINC001316925203 1147632599 /nfs/dbraw/zinc/63/25/99/1147632599.db2.gz LTDLHVNMHZLHPW-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001316941508 1147635643 /nfs/dbraw/zinc/63/56/43/1147635643.db2.gz RHXWVPWXTSSQPF-PKOBYXMFSA-N 0 3 316.445 2.403 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001367045609 1147639148 /nfs/dbraw/zinc/63/91/48/1147639148.db2.gz DXQPLMIPPMEALA-WMLDXEAASA-N 0 3 322.412 2.427 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001316967600 1147640063 /nfs/dbraw/zinc/64/00/63/1147640063.db2.gz GNPATHFFRGXSSZ-IRXDYDNUSA-N 0 3 321.509 2.369 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCOc2ccc(C)cc2)C1 ZINC001316993026 1147645765 /nfs/dbraw/zinc/64/57/65/1147645765.db2.gz 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/nfs/dbraw/zinc/65/96/82/1147659682.db2.gz VPCPLFAVWASHBK-LLVKDONJSA-N 0 3 311.170 2.035 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2=CCCC2)C1 ZINC001317105631 1147660396 /nfs/dbraw/zinc/66/03/96/1147660396.db2.gz NZISBYIOAURKQO-QZTJIDSGSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2oc(CCC)nc2C)C1 ZINC001317110943 1147660770 /nfs/dbraw/zinc/66/07/70/1147660770.db2.gz NCHTVMOPIUMHCA-GASCZTMLSA-N 0 3 317.433 2.476 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001317179495 1147672294 /nfs/dbraw/zinc/67/22/94/1147672294.db2.gz UEKVSPDUEPWEQV-GOSISDBHSA-N 0 3 313.445 2.181 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)C(C)(F)F ZINC001367335560 1147679962 /nfs/dbraw/zinc/67/99/62/1147679962.db2.gz NQKVBPOSJDYQLZ-JTQLQIEISA-N 0 3 313.323 2.289 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001317243691 1147682026 /nfs/dbraw/zinc/68/20/26/1147682026.db2.gz ZGFDJBXJWXLBGB-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(c3ccccn3)CC2)C1 ZINC001317375254 1147698366 /nfs/dbraw/zinc/69/83/66/1147698366.db2.gz IKSVVZNXGFIENC-MRXNPFEDSA-N 0 3 311.429 2.059 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cn1cc(Cl)cn1)C(C)C ZINC001367477160 1147699869 /nfs/dbraw/zinc/69/98/69/1147699869.db2.gz AELLPWHLJICOQQ-LBPRGKRZSA-N 0 3 319.236 2.019 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccccc1OCC1CC1 ZINC001317471110 1147713220 /nfs/dbraw/zinc/71/32/20/1147713220.db2.gz ATGNQQOQGWQEMS-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN Cc1ncccc1CN1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001317523090 1147719732 /nfs/dbraw/zinc/71/97/32/1147719732.db2.gz PAVTXDPZRFFYHZ-INIZCTEOSA-N 0 3 313.445 2.378 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001317537691 1147722051 /nfs/dbraw/zinc/72/20/51/1147722051.db2.gz ZXUXDBSTVOQPPW-GJZGRUSLSA-N 0 3 302.393 2.391 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001367665676 1147724027 /nfs/dbraw/zinc/72/40/27/1147724027.db2.gz HLMQALQNZOZZEU-GHMZBOCLSA-N 0 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VQGZKEQXUIEUDY-QGZVFWFLSA-N 0 3 320.396 2.300 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000081238016 192240057 /nfs/dbraw/zinc/24/00/57/192240057.db2.gz GZYRYKILMFZOPI-UHFFFAOYSA-N 0 3 316.405 2.274 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2CC1 ZINC000324631112 356457997 /nfs/dbraw/zinc/45/79/97/356457997.db2.gz AMFUWTZWFRTFNT-LJQANCHMSA-N 0 3 322.408 2.399 20 30 DEEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000451412019 291110315 /nfs/dbraw/zinc/11/03/15/291110315.db2.gz WCSZNHXPIXKVIS-NWDGAFQWSA-N 0 3 305.344 2.411 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC=CCC2)cc1 ZINC000588289017 357405326 /nfs/dbraw/zinc/40/53/26/357405326.db2.gz JKVMTGLEOXLVBF-LBPRGKRZSA-N 0 3 319.386 2.166 20 30 DEEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(C#N)n1 ZINC000589272509 357460854 /nfs/dbraw/zinc/46/08/54/357460854.db2.gz MVXDAVLIQACORF-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)c2cccc(C#N)n2)N(C)C)cc1 ZINC000589344111 357465853 /nfs/dbraw/zinc/46/58/53/357465853.db2.gz ZUZNGDYGDMJSPR-KRWDZBQOSA-N 0 3 308.385 2.294 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000589621365 357484102 /nfs/dbraw/zinc/48/41/02/357484102.db2.gz APPQWVUWQMBSEK-YOEHRIQHSA-N 0 3 320.396 2.346 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000591471289 357727864 /nfs/dbraw/zinc/72/78/64/357727864.db2.gz DZTDTMSJAXLCKE-CQSZACIVSA-N 0 3 320.824 2.447 20 30 DEEDHN N#Cc1c2c(cnc1NC1CCN([C@@H]3CCOC3)CC1)CCC2 ZINC000591821478 357765757 /nfs/dbraw/zinc/76/57/57/357765757.db2.gz HDKDERWVSNLEFN-OAHLLOKOSA-N 0 3 312.417 2.107 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179369992 199023467 /nfs/dbraw/zinc/02/34/67/199023467.db2.gz NEESYWDEAYDEDO-WDEREUQCSA-N 0 3 309.435 2.416 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179369959 199023783 /nfs/dbraw/zinc/02/37/83/199023783.db2.gz NEESYWDEAYDEDO-MNOVXSKESA-N 0 3 309.435 2.416 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000660596900 540310379 /nfs/dbraw/zinc/31/03/79/540310379.db2.gz JNZTXFFQSDSHGD-GOSISDBHSA-N 0 3 321.465 2.237 20 30 DEEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)C2CCOCC2)c(C#N)c1C ZINC000179854090 199087920 /nfs/dbraw/zinc/08/79/20/199087920.db2.gz QRVKBUJDFZNUPU-NSHDSACASA-N 0 3 305.378 2.111 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCC(F)(F)C2)cc1 ZINC000593235988 358039425 /nfs/dbraw/zinc/03/94/25/358039425.db2.gz QTQPQHUZRUJBJC-CQSZACIVSA-N 0 3 303.312 2.498 20 30 DEEDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(C#N)c1 ZINC000179976438 199101624 /nfs/dbraw/zinc/10/16/24/199101624.db2.gz WJNLKHSHELKQBT-BBRMVZONSA-N 0 3 302.374 2.131 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000593426431 358075501 /nfs/dbraw/zinc/07/55/01/358075501.db2.gz JFRHNICRQCSLTL-LBPRGKRZSA-N 0 3 309.360 2.405 20 30 DEEDHN CCC(C#N)C(=O)N[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000593634943 358115847 /nfs/dbraw/zinc/11/58/47/358115847.db2.gz FYXSPMMRDTXJAZ-SJKOYZFVSA-N 0 3 318.373 2.139 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000593883551 358163881 /nfs/dbraw/zinc/16/38/81/358163881.db2.gz OMZFHICZXZTZNG-UHFFFAOYSA-N 0 3 307.344 2.394 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000593975949 358182398 /nfs/dbraw/zinc/18/23/98/358182398.db2.gz LQRHZWXEJXFJDD-GOSISDBHSA-N 0 3 304.353 2.049 20 30 DEEDHN Cn1cc(CN[C@@H]2C[C@@H](O)C2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180448765 199160083 /nfs/dbraw/zinc/16/00/83/199160083.db2.gz XXAVEUBEAMWSOV-HZPDHXFCSA-N 0 3 310.401 2.208 20 30 DEEDHN N#C[C@]1(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCSC1 ZINC000594257274 358234728 /nfs/dbraw/zinc/23/47/28/358234728.db2.gz DGGMYQWOKUDTEX-NVXWUHKLSA-N 0 3 315.442 2.024 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000594270333 358236290 /nfs/dbraw/zinc/23/62/90/358236290.db2.gz AHAMFTPEUZWIJX-MAUKXSAKSA-N 0 3 311.429 2.434 20 30 DEEDHN CC(=O)Nc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1F ZINC000594430209 358267657 /nfs/dbraw/zinc/26/76/57/358267657.db2.gz WZFMDBRPQIUCQC-CYBMUJFWSA-N 0 3 306.341 2.134 20 30 DEEDHN COc1ccc(C#N)cc1NC1CCN([C@H]2CCOC2)CC1 ZINC000594605069 358303557 /nfs/dbraw/zinc/30/35/57/358303557.db2.gz FOJRVNSLPDSKMY-HNNXBMFYSA-N 0 3 301.390 2.232 20 30 DEEDHN N#Cc1ccc(Cn2cc(CCN3CCCCC3)nn2)c(F)c1 ZINC000594649739 358310539 /nfs/dbraw/zinc/31/05/39/358310539.db2.gz MOQNWUDCWFTMQK-UHFFFAOYSA-N 0 3 313.380 2.366 20 30 DEEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCCn4nccc43)CC2)nc1 ZINC000595043835 358382728 /nfs/dbraw/zinc/38/27/28/358382728.db2.gz WFKVBQVPSPUPCO-MRXNPFEDSA-N 0 3 322.416 2.243 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000595659150 358514447 /nfs/dbraw/zinc/51/44/47/358514447.db2.gz LGEVPFTUQWYSOG-HOTGVXAUSA-N 0 3 322.449 2.076 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H]1[C@@H](C)CO ZINC000595675473 358518874 /nfs/dbraw/zinc/51/88/74/358518874.db2.gz NBQKFWMBAVANFA-HOCLYGCPSA-N 0 3 318.417 2.429 20 30 DEEDHN C=CCN(CC(=O)N1CCC[C@H](C(=O)OCC)C1)C(C)(C)C ZINC000595763588 358543452 /nfs/dbraw/zinc/54/34/52/358543452.db2.gz RBHMJSGGPYZKLX-AWEZNQCLSA-N 0 3 310.438 2.075 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC(CC#N)CC1 ZINC000595790367 358550554 /nfs/dbraw/zinc/55/05/54/358550554.db2.gz ZWWNSUZDZPSYFA-OAHLLOKOSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1ccc(CN(CCN2CCOCC2)CC2CC2)s1 ZINC000595807059 358552622 /nfs/dbraw/zinc/55/26/22/358552622.db2.gz HRSYSRXVRUDTDA-UHFFFAOYSA-N 0 3 305.447 2.164 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cc(C#N)cnn1 ZINC000596176362 358631169 /nfs/dbraw/zinc/63/11/69/358631169.db2.gz DXDBQPUCXUUOLH-LSDHHAIUSA-N 0 3 307.401 2.447 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nccn1-c1ccccc1 ZINC000595991747 358590689 /nfs/dbraw/zinc/59/06/89/358590689.db2.gz HHOUOCVJMAICJM-HIFRSBDPSA-N 0 3 311.389 2.071 20 30 DEEDHN COCCCN1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000597088378 358821215 /nfs/dbraw/zinc/82/12/15/358821215.db2.gz GSHFOPYGRZVCCO-UHFFFAOYSA-N 0 3 321.465 2.468 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000597616074 358963723 /nfs/dbraw/zinc/96/37/23/358963723.db2.gz COOSVNSCBWKYRS-GOEBONIOSA-N 0 3 323.481 2.256 20 30 DEEDHN N#CC[C@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000597909034 359037352 /nfs/dbraw/zinc/03/73/52/359037352.db2.gz FJJMRMFWLDXUNH-MRXNPFEDSA-N 0 3 319.449 2.174 20 30 DEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000598195592 359120267 /nfs/dbraw/zinc/12/02/67/359120267.db2.gz OXMVAHYFFAGASR-QGZVFWFLSA-N 0 3 311.429 2.456 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000598151002 359108184 /nfs/dbraw/zinc/10/81/84/359108184.db2.gz MEZKFGNPNQUYHS-NSHDSACASA-N 0 3 322.206 2.257 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598261743 359139830 /nfs/dbraw/zinc/13/98/30/359139830.db2.gz VGVOTBGZOLPQOW-AWEZNQCLSA-N 0 3 300.406 2.112 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000598342695 359170332 /nfs/dbraw/zinc/17/03/32/359170332.db2.gz OVNXUTQNCQNLHK-MRXNPFEDSA-N 0 3 317.458 2.392 20 30 DEEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592394 359253286 /nfs/dbraw/zinc/25/32/86/359253286.db2.gz KIGPCSKUCKBWLQ-GJZGRUSLSA-N 0 3 323.481 2.161 20 30 DEEDHN COC(=O)[C@H](C)[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598598021 359256770 /nfs/dbraw/zinc/25/67/70/359256770.db2.gz MFZYVRGLVBLPJN-KBMXLJTQSA-N 0 3 318.417 2.427 20 30 DEEDHN COc1ccc2c(c1)[C@@H](NC[C@@H](O)CC(C)(C)C#N)CCO2 ZINC000598724399 359306465 /nfs/dbraw/zinc/30/64/65/359306465.db2.gz OOYWTKYXJJBYCW-WFASDCNBSA-N 0 3 304.390 2.409 20 30 DEEDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC(C)(C)C#N ZINC000598614599 359261311 /nfs/dbraw/zinc/26/13/11/359261311.db2.gz LWJVQDDCESTCLO-OAHLLOKOSA-N 0 3 305.378 2.370 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000598618421 359263226 /nfs/dbraw/zinc/26/32/26/359263226.db2.gz YDHBUTZIZOZXQE-KKUMJFAQSA-N 0 3 308.447 2.057 20 30 DEEDHN N#Cc1ncn(CCNCc2csc(C(F)(F)F)c2)n1 ZINC000598975458 359372463 /nfs/dbraw/zinc/37/24/63/359372463.db2.gz JEJYWEYLCDXACN-UHFFFAOYSA-N 0 3 301.297 2.020 20 30 DEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1(C)COC1 ZINC000599571290 359529955 /nfs/dbraw/zinc/52/99/55/359529955.db2.gz BDEWCNYOQJUFHT-UHFFFAOYSA-N 0 3 310.401 2.427 20 30 DEEDHN CN(C)C1(CN(C)C(=O)c2c(F)cc(C#N)cc2F)CCC1 ZINC000186996028 200045049 /nfs/dbraw/zinc/04/50/49/200045049.db2.gz KAMOCXGNXXRYHF-UHFFFAOYSA-N 0 3 307.344 2.393 20 30 DEEDHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1C#N ZINC000429323009 237384638 /nfs/dbraw/zinc/38/46/38/237384638.db2.gz QVYWVBADLUTPLN-WFASDCNBSA-N 0 3 321.380 2.348 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)CC1 ZINC000668370212 540656160 /nfs/dbraw/zinc/65/61/60/540656160.db2.gz QHUASJCHJDHUJA-ZWKOTPCHSA-N 0 3 314.429 2.183 20 30 DEEDHN N#Cc1ccc(CN2CCCN(CCOCC(F)F)CC2)cc1 ZINC000188563160 200266857 /nfs/dbraw/zinc/26/68/57/200266857.db2.gz ROWWFHLXXHPGHQ-UHFFFAOYSA-N 0 3 323.387 2.348 20 30 DEEDHN COc1cc(Cl)c(CNC2CCN(CC#N)CC2)cc1OC ZINC000601105721 359922488 /nfs/dbraw/zinc/92/24/88/359922488.db2.gz FNNIANAASPYTMA-UHFFFAOYSA-N 0 3 323.824 2.435 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@@H](OCCOC)C2)cc1 ZINC000188821234 200308333 /nfs/dbraw/zinc/30/83/33/200308333.db2.gz PGHMJZKBCZHYFN-GOSISDBHSA-N 0 3 303.402 2.326 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H](C)CN(CC)CC ZINC000668624472 540700004 /nfs/dbraw/zinc/70/00/04/540700004.db2.gz ORIHMUWWOJKXHC-BZUAXINKSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@](C)(CN1CCN(Cc2ccc(C#N)cc2)CC1)OC ZINC000602433598 360371001 /nfs/dbraw/zinc/37/10/01/360371001.db2.gz NELKFANJWDSDLH-GOSISDBHSA-N 0 3 301.434 2.491 20 30 DEEDHN CC[C@@](C)(CN1CCN(Cc2ccc(C#N)cc2)CC1)OC ZINC000602433600 360371175 /nfs/dbraw/zinc/37/11/75/360371175.db2.gz NELKFANJWDSDLH-SFHVURJKSA-N 0 3 301.434 2.491 20 30 DEEDHN Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1Br ZINC000602604348 360452657 /nfs/dbraw/zinc/45/26/57/360452657.db2.gz LYOJVSVBJZOTCL-ZDUSSCGKSA-N 0 3 324.222 2.395 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000602620270 360460435 /nfs/dbraw/zinc/46/04/35/360460435.db2.gz AQQXPTAVJFKSRM-GOSISDBHSA-N 0 3 304.353 2.049 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908026 360620383 /nfs/dbraw/zinc/62/03/83/360620383.db2.gz XUKDNBXPWZSNCU-INIZCTEOSA-N 0 3 312.417 2.433 20 30 DEEDHN C=C[C@H](O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000668986401 540762650 /nfs/dbraw/zinc/76/26/50/540762650.db2.gz GLGGBHWALSEUGT-XIRDDKMYSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C[C@H](O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000668986398 540762705 /nfs/dbraw/zinc/76/27/05/540762705.db2.gz GLGGBHWALSEUGT-OIISXLGYSA-N 0 3 302.418 2.045 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2cc(F)cc(C#N)c2)CCSC1 ZINC000603075649 360690982 /nfs/dbraw/zinc/69/09/82/360690982.db2.gz YFZQPXVGBGUPOS-HNNXBMFYSA-N 0 3 322.409 2.256 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000603081260 360692718 /nfs/dbraw/zinc/69/27/18/360692718.db2.gz NUHZLZQQVUJSNI-HNNXBMFYSA-N 0 3 302.353 2.399 20 30 DEEDHN Cc1cc(CNC[C@H]2CN(CC(C)C)CCO2)ccc1C#N ZINC000443981291 238132771 /nfs/dbraw/zinc/13/27/71/238132771.db2.gz SQALZORZQVLIRD-SFHVURJKSA-N 0 3 301.434 2.313 20 30 DEEDHN N#Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCCCC2)ccn1 ZINC000603122478 360710315 /nfs/dbraw/zinc/71/03/15/360710315.db2.gz CWLMDRHTLVMFSG-INIZCTEOSA-N 0 3 313.405 2.482 20 30 DEEDHN CC(C)(CNC(=O)Nc1ccnc(C#N)c1)N1CCCCC1 ZINC000603139039 360716337 /nfs/dbraw/zinc/71/63/37/360716337.db2.gz LMSOWWVWDKHGAQ-UHFFFAOYSA-N 0 3 301.394 2.339 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000603848790 360864808 /nfs/dbraw/zinc/86/48/08/360864808.db2.gz VUHNCYVZDXSVKS-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000604535283 360914646 /nfs/dbraw/zinc/91/46/46/360914646.db2.gz UPOWYMBGQKIVLP-DOTOQJQBSA-N 0 3 314.433 2.302 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000604535290 360915072 /nfs/dbraw/zinc/91/50/72/360915072.db2.gz UPOWYMBGQKIVLP-WBVHZDCISA-N 0 3 314.433 2.302 20 30 DEEDHN CCc1nnc(N2CC[C@@]3(C2)CCCN(C)C3)c(C#N)c1CC ZINC000292840245 223268628 /nfs/dbraw/zinc/26/86/28/223268628.db2.gz QKNMTHVBFWYZFW-SFHVURJKSA-N 0 3 313.449 2.395 20 30 DEEDHN N#CCn1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc2ccccc21 ZINC000609171428 361287094 /nfs/dbraw/zinc/28/70/94/361287094.db2.gz XWOIHNFILRZHKZ-MRXNPFEDSA-N 0 3 322.412 2.475 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H](n3ccnc3)C2)c1 ZINC000609258106 361293457 /nfs/dbraw/zinc/29/34/57/361293457.db2.gz MCZPBEZGCOMIEF-KRWDZBQOSA-N 0 3 323.400 2.420 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCc3ccccc3C2)C(N)=O)cc1 ZINC000609768668 361338489 /nfs/dbraw/zinc/33/84/89/361338489.db2.gz GZYNOALXBAJEAR-DNVCBOLYSA-N 0 3 319.408 2.479 20 30 DEEDHN C[C@@H](NC(=O)C1(C#N)CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000274638644 296039223 /nfs/dbraw/zinc/03/92/23/296039223.db2.gz QRMVSYCGCWVVJR-GDBMZVCRSA-N 0 3 315.417 2.114 20 30 DEEDHN COc1ccc(OC)c([C@@H](C)NC2CCN(CC#N)CC2)c1 ZINC000610812619 361470937 /nfs/dbraw/zinc/47/09/37/361470937.db2.gz DTNYRPUMAAXTHP-CYBMUJFWSA-N 0 3 303.406 2.342 20 30 DEEDHN N#Cc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)s1 ZINC000611253990 361563343 /nfs/dbraw/zinc/56/33/43/361563343.db2.gz BWURMYUGVDOSMQ-AWEZNQCLSA-N 0 3 305.447 2.306 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000271862857 209278199 /nfs/dbraw/zinc/27/81/99/209278199.db2.gz YCMCPOALUCOVON-GUFYHEMZSA-N 0 3 315.442 2.075 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C(N)=O)nc1 ZINC000611393992 361590494 /nfs/dbraw/zinc/59/04/94/361590494.db2.gz WJDMRUDOYZBWHB-INIZCTEOSA-N 0 3 306.369 2.219 20 30 DEEDHN C=C[C@@H](NCC1CCN(Cc2cccs2)CC1)C(=O)OC ZINC000619700975 363859884 /nfs/dbraw/zinc/85/98/84/363859884.db2.gz SETHXFQYMMNQFY-OAHLLOKOSA-N 0 3 308.447 2.277 20 30 DEEDHN C=CCCOCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000676677406 541481530 /nfs/dbraw/zinc/48/15/30/541481530.db2.gz INWFAADQAHMOAW-HNNXBMFYSA-N 0 3 317.433 2.316 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(C)c3ccccc32)CC1 ZINC000676809688 541508099 /nfs/dbraw/zinc/50/80/99/541508099.db2.gz ICNGVXQVQDLKNA-KRWDZBQOSA-N 0 3 313.445 2.377 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCN(c2ccncc2)CC1)OCC ZINC000677297283 541571080 /nfs/dbraw/zinc/57/10/80/541571080.db2.gz HKVRVLFYDGRGJX-INIZCTEOSA-N 0 3 303.406 2.102 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccnn2CC2CCC2)CC1 ZINC000630942811 367924501 /nfs/dbraw/zinc/92/45/01/367924501.db2.gz LWPINDJGEBIWRE-UHFFFAOYSA-N 0 3 316.449 2.454 20 30 DEEDHN C=CCC[C@H](C(=O)NCCN(C)CCOC)c1ccccc1 ZINC000275221338 212205546 /nfs/dbraw/zinc/20/55/46/212205546.db2.gz DFMPJVDOIGRVNO-KRWDZBQOSA-N 0 3 304.434 2.431 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000451499022 243032959 /nfs/dbraw/zinc/03/29/59/243032959.db2.gz YERLPKLQONZSSG-DJIMGWMZSA-N 0 3 311.385 2.044 20 30 DEEDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000451499268 243035745 /nfs/dbraw/zinc/03/57/45/243035745.db2.gz XDHUJQYWFGFCPU-RHSMWYFYSA-N 0 3 301.390 2.290 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451597119 243180079 /nfs/dbraw/zinc/18/00/79/243180079.db2.gz GPEAIVMBHSZSNK-AEFFLSMTSA-N 0 3 300.402 2.454 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccnc1 ZINC000264640609 204047800 /nfs/dbraw/zinc/04/78/00/204047800.db2.gz QHWUJRVOZMSRMR-UHFFFAOYSA-N 0 3 322.412 2.086 20 30 DEEDHN C#CCCNC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000265066148 204375800 /nfs/dbraw/zinc/37/58/00/204375800.db2.gz MUJOQUSQZRPNKV-KRWDZBQOSA-N 0 3 317.433 2.401 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000282607503 217121143 /nfs/dbraw/zinc/12/11/43/217121143.db2.gz DLTJSOKRFVJJQV-IUODEOHRSA-N 0 3 306.431 2.277 20 30 DEEDHN C[C@H](Cc1cnn(C)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456439665 247192080 /nfs/dbraw/zinc/19/20/80/247192080.db2.gz QIRMGTGEWVDAFT-RHSMWYFYSA-N 0 3 310.401 2.240 20 30 DEEDHN CO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000458201175 248202732 /nfs/dbraw/zinc/20/27/32/248202732.db2.gz UBFLDECREFYNHG-YESZJQIVSA-N 0 3 323.396 2.314 20 30 DEEDHN CC#CCN(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000458393090 248288484 /nfs/dbraw/zinc/28/84/84/248288484.db2.gz UIWYMCOKOSECLQ-UHFFFAOYSA-N 0 3 323.506 2.403 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000458326558 248264502 /nfs/dbraw/zinc/26/45/02/248264502.db2.gz ULIPAWWHBSFEQR-ZDUSSCGKSA-N 0 3 318.421 2.188 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccncc2)CC1 ZINC000489183203 248825950 /nfs/dbraw/zinc/82/59/50/248825950.db2.gz MIJXEPGKYLQVPT-HNNXBMFYSA-N 0 3 316.449 2.352 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C/[C@H]1CCOC1)C(C)C ZINC000492961912 249182624 /nfs/dbraw/zinc/18/26/24/249182624.db2.gz OWEVZOXQSNWGFP-UAEOLWBESA-N 0 3 306.450 2.394 20 30 DEEDHN C#CCCCCc1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000274000448 211259082 /nfs/dbraw/zinc/25/90/82/211259082.db2.gz RCFQOMJKYGEZNG-UHFFFAOYSA-N 0 3 314.389 2.418 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000106040015 194180911 /nfs/dbraw/zinc/18/09/11/194180911.db2.gz XYCCOAHBGUTORZ-UHFFFAOYSA-N 0 3 315.417 2.415 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(OC)c2)CC1 ZINC000106039308 194181182 /nfs/dbraw/zinc/18/11/82/194181182.db2.gz KFDBPLJVVLODEK-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)C2CCCCC2)CC1 ZINC000106275028 194194136 /nfs/dbraw/zinc/19/41/36/194194136.db2.gz RAJDALDDJFEKTG-KRWDZBQOSA-N 0 3 323.481 2.267 20 30 DEEDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1ccccc1C#N ZINC000285113102 218295409 /nfs/dbraw/zinc/29/54/09/218295409.db2.gz MPPBNJYUEJYBKN-GFCCVEGCSA-N 0 3 317.389 2.064 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000329850338 404470922 /nfs/dbraw/zinc/47/09/22/404470922.db2.gz QEEBULZQZJMRAU-IUODEOHRSA-N 0 3 319.453 2.363 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2C2CCOCC2)c1 ZINC000538626759 285042192 /nfs/dbraw/zinc/04/21/92/285042192.db2.gz CODZOTINEWLDDR-QGZVFWFLSA-N 0 3 313.401 2.388 20 30 DEEDHN N#CCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193398625 685040184 /nfs/dbraw/zinc/04/01/84/685040184.db2.gz XCNOOIPFAHDSJO-LLVKDONJSA-N 0 3 307.762 2.244 20 30 DEEDHN C[C@@H](NC[C@@H](O)COCC(F)(F)F)c1ccc(C#N)cc1 ZINC000292444330 533414080 /nfs/dbraw/zinc/41/40/80/533414080.db2.gz NENZYHIBNYLUGG-ZWNOBZJWSA-N 0 3 302.296 2.149 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C#N)s1 ZINC000422213102 533591562 /nfs/dbraw/zinc/59/15/62/533591562.db2.gz FPTABBKLZRZYDY-GFCCVEGCSA-N 0 3 320.462 2.491 20 30 DEEDHN COC(=O)COc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000339099239 533557562 /nfs/dbraw/zinc/55/75/62/533557562.db2.gz RNJDTCFSYFWIFX-GJZGRUSLSA-N 0 3 302.374 2.362 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000546710081 285521383 /nfs/dbraw/zinc/52/13/83/285521383.db2.gz QFLNBIBJDSCYIM-CQSZACIVSA-N 0 3 314.389 2.269 20 30 DEEDHN CCN1CCN([C@H](C)CNc2nc(C)c(C#N)cc2Cl)CC1 ZINC000359909674 133152142 /nfs/dbraw/zinc/15/21/42/133152142.db2.gz YRBODXZKCNKTDB-GFCCVEGCSA-N 0 3 321.856 2.353 20 30 DEEDHN CC(=O)N[C@H](C)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000360313916 133175068 /nfs/dbraw/zinc/17/50/68/133175068.db2.gz DDAOFGMRNSOAPI-CQSZACIVSA-N 0 3 315.417 2.174 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000346182848 146032590 /nfs/dbraw/zinc/03/25/90/146032590.db2.gz JPZWCHDDAKRMSK-RLFYNMQTSA-N 0 3 311.429 2.289 20 30 DEEDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(C#N)c(F)c1 ZINC000346198961 146036922 /nfs/dbraw/zinc/03/69/22/146036922.db2.gz RZSDPDWTDSZDQL-WBMJQRKESA-N 0 3 303.381 2.211 20 30 DEEDHN CCS[C@H]1CCC[C@@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000348469030 146275415 /nfs/dbraw/zinc/27/54/15/146275415.db2.gz LTEMHQPBEJBUAK-HOTGVXAUSA-N 0 3 317.458 2.438 20 30 DEEDHN Cc1cc(CN(CCN(C)C)C[C@H]2CCCO2)ccc1C#N ZINC000349060392 146346196 /nfs/dbraw/zinc/34/61/96/146346196.db2.gz FNULLIZTSZFXMH-GOSISDBHSA-N 0 3 301.434 2.409 20 30 DEEDHN C[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1(F)F ZINC000359305826 147303875 /nfs/dbraw/zinc/30/38/75/147303875.db2.gz ZMNSLXLALXSNLY-DOMZBBRYSA-N 0 3 321.371 2.350 20 30 DEEDHN CCS[C@@H]1CCCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000112090142 401730603 /nfs/dbraw/zinc/73/06/03/401730603.db2.gz KAMPFPPCRAXMCJ-OAHLLOKOSA-N 0 3 322.478 2.250 20 30 DEEDHN C=CC1CCN([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000111259234 401704834 /nfs/dbraw/zinc/70/48/34/401704834.db2.gz RWBBGIFDMICQME-CQSZACIVSA-N 0 3 322.449 2.075 20 30 DEEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000111259555 401705312 /nfs/dbraw/zinc/70/53/12/401705312.db2.gz JFHXCPRFSDHSJL-GOEBONIOSA-N 0 3 322.449 2.075 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2nncn2c1 ZINC000113650808 401784340 /nfs/dbraw/zinc/78/43/40/401784340.db2.gz OQSDYGLUVGZRQE-LBPRGKRZSA-N 0 3 316.324 2.106 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2OC)CC1 ZINC000078543804 401855205 /nfs/dbraw/zinc/85/52/05/401855205.db2.gz SQUYOKJXTCSQRP-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000078599406 401857444 /nfs/dbraw/zinc/85/74/44/401857444.db2.gz GOBATUCPLIPHLR-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2sccc2C#N)C[C@H](C)O1 ZINC000083025301 401899965 /nfs/dbraw/zinc/89/99/65/401899965.db2.gz BUQFDHMPJANEIT-BETUJISGSA-N 0 3 321.446 2.239 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134777724 401913966 /nfs/dbraw/zinc/91/39/66/401913966.db2.gz GKPBIOISGGXLEK-XYPHTWIQSA-N 0 3 320.408 2.404 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000045410116 401957120 /nfs/dbraw/zinc/95/71/20/401957120.db2.gz IVSJQCAPLSINQP-UHFFFAOYSA-N 0 3 312.417 2.326 20 30 DEEDHN C=CCCOCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090883892 401988584 /nfs/dbraw/zinc/98/85/84/401988584.db2.gz JGRVAILMSUIWPT-GFCCVEGCSA-N 0 3 315.410 2.473 20 30 DEEDHN CN(C)C[C@H](NC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000151169487 402021530 /nfs/dbraw/zinc/02/15/30/402021530.db2.gz NKIGOUHHKDTXEO-SFHVURJKSA-N 0 3 322.412 2.389 20 30 DEEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(-n2cnnn2)cc1 ZINC000151397243 402033920 /nfs/dbraw/zinc/03/39/20/402033920.db2.gz FMUSTLDPRFKUBN-ZDUSSCGKSA-N 0 3 304.357 2.385 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000122715937 402091550 /nfs/dbraw/zinc/09/15/50/402091550.db2.gz QURFMBXAYHRWFP-KRWDZBQOSA-N 0 3 314.433 2.089 20 30 DEEDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000152468700 402097043 /nfs/dbraw/zinc/09/70/43/402097043.db2.gz DXIFYLKCQPSAGQ-CJNGLKHVSA-N 0 3 307.463 2.238 20 30 DEEDHN N#Cc1ccccc1OCCN(CCC(N)=O)Cc1ccccc1 ZINC000060466347 402105116 /nfs/dbraw/zinc/10/51/16/402105116.db2.gz RAJSJCDDPXZMRS-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN C=CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000063407376 402112948 /nfs/dbraw/zinc/11/29/48/402112948.db2.gz GYQXKZPSMPWAQS-UHFFFAOYSA-N 0 3 317.433 2.392 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000103070016 402177744 /nfs/dbraw/zinc/17/77/44/402177744.db2.gz WQBJVMXORLBKTE-CQSZACIVSA-N 0 3 317.458 2.498 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCOCC1 ZINC000107064603 402225882 /nfs/dbraw/zinc/22/58/82/402225882.db2.gz DVVAIGXMMPBIFO-CYBMUJFWSA-N 0 3 301.390 2.244 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cn2ncc3ccccc32)CC1 ZINC000107256446 402228573 /nfs/dbraw/zinc/22/85/73/402228573.db2.gz QRWPRQLMYQXVPH-UHFFFAOYSA-N 0 3 312.417 2.193 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccnn1C)C(C)C ZINC000125565550 402239601 /nfs/dbraw/zinc/23/96/01/402239601.db2.gz ZCNFIWPNOFHYSO-CQSZACIVSA-N 0 3 305.426 2.240 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069855860 402247521 /nfs/dbraw/zinc/24/75/21/402247521.db2.gz MDAUBAYEWYRSQV-INIZCTEOSA-N 0 3 317.408 2.242 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1ccc(C#N)cc1 ZINC000176176233 402286408 /nfs/dbraw/zinc/28/64/08/402286408.db2.gz MSHLZNCIYSBVHQ-UHFFFAOYSA-N 0 3 311.385 2.284 20 30 DEEDHN COc1ccc(OC)c([C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176945188 402352847 /nfs/dbraw/zinc/35/28/47/402352847.db2.gz GEALRVAMEPWERF-HNNXBMFYSA-N 0 3 318.398 2.460 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)CN1C1CC1 ZINC000177047219 402363812 /nfs/dbraw/zinc/36/38/12/402363812.db2.gz PZLGMKVETLYLFG-JSGCOSHPSA-N 0 3 315.442 2.392 20 30 DEEDHN COC(=O)COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185833036 402381119 /nfs/dbraw/zinc/38/11/19/402381119.db2.gz VCHSFEVNGAGRFT-ZFWWWQNUSA-N 0 3 302.374 2.410 20 30 DEEDHN CCn1cc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000161719234 402397236 /nfs/dbraw/zinc/39/72/36/402397236.db2.gz ASZCOFIQVXOQMN-CQSZACIVSA-N 0 3 324.432 2.489 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186397979 402428092 /nfs/dbraw/zinc/42/80/92/402428092.db2.gz UCEYDIYWVPVMMK-OWCLPIDISA-N 0 3 309.454 2.178 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000163008172 402438997 /nfs/dbraw/zinc/43/89/97/402438997.db2.gz GZSWPBIMKCJPCF-HNNXBMFYSA-N 0 3 311.470 2.123 20 30 DEEDHN N#Cc1cccc(CNC[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000238141890 402439299 /nfs/dbraw/zinc/43/92/99/402439299.db2.gz LXZIMAUOVPOMTD-CQSZACIVSA-N 0 3 318.323 2.366 20 30 DEEDHN N#Cc1cc(F)ccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000177900060 402442813 /nfs/dbraw/zinc/44/28/13/402442813.db2.gz NXQNMQBMAMIPFI-CQSZACIVSA-N 0 3 302.353 2.399 20 30 DEEDHN C=CCCS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000178315035 402483815 /nfs/dbraw/zinc/48/38/15/402483815.db2.gz SUIFGOULPCRIDM-UHFFFAOYSA-N 0 3 322.474 2.394 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)cc2OC)C1(C)C ZINC000190016686 402570737 /nfs/dbraw/zinc/57/07/37/402570737.db2.gz JMUCPHQYGPGSGV-WMZOPIPTSA-N 0 3 318.417 2.223 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190047582 402572884 /nfs/dbraw/zinc/57/28/84/402572884.db2.gz MNQYDHICRMHRGW-CABCVRRESA-N 0 3 301.434 2.396 20 30 DEEDHN Cc1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)co1 ZINC000188398860 402520214 /nfs/dbraw/zinc/52/02/14/402520214.db2.gz MLLNKBRSYDBUOL-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(C)CCCC[C@H]2O)CC1 ZINC000178667077 402523853 /nfs/dbraw/zinc/52/38/53/402523853.db2.gz XFGHODCLSPPTEI-AEFFLSMTSA-N 0 3 323.481 2.267 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000171831809 402627126 /nfs/dbraw/zinc/62/71/26/402627126.db2.gz PUHFILUJTUQTFH-INIZCTEOSA-N 0 3 300.406 2.232 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC[C@H](OCCO)C2)c1 ZINC000179573627 402594895 /nfs/dbraw/zinc/59/48/95/402594895.db2.gz GMJVBWGRMCMVFC-SFHVURJKSA-N 0 3 318.417 2.342 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248727984 402605303 /nfs/dbraw/zinc/60/53/03/402605303.db2.gz IPCHMSJMFRYUOO-ZMSDIMECSA-N 0 3 302.418 2.435 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000171715133 402613862 /nfs/dbraw/zinc/61/38/62/402613862.db2.gz FCBLMPPPNOGWPX-MRXNPFEDSA-N 0 3 300.402 2.319 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2c(C)noc2Cl)CC1 ZINC000171714903 402613999 /nfs/dbraw/zinc/61/39/99/402613999.db2.gz RDHKIZFAMDHXHT-UHFFFAOYSA-N 0 3 311.813 2.336 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000171729846 402615745 /nfs/dbraw/zinc/61/57/45/402615745.db2.gz FKXDEFNNVQHESX-KRWDZBQOSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCn3cccc3[C@H]2C)CC1 ZINC000171740093 402616973 /nfs/dbraw/zinc/61/69/73/402616973.db2.gz HWQUQYWRFUTOOV-CQSZACIVSA-N 0 3 302.422 2.225 20 30 DEEDHN C=C(C)CN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000180631339 402621828 /nfs/dbraw/zinc/62/18/28/402621828.db2.gz CTTRSWKTUBHNTA-UHFFFAOYSA-N 0 3 305.422 2.345 20 30 DEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cc(F)cc(F)c1 ZINC000180880098 402629265 /nfs/dbraw/zinc/62/92/65/402629265.db2.gz VUNDYQIDOKJGSD-GLTXTHCDSA-N 0 3 321.327 2.142 20 30 DEEDHN C[C@@H]1SCCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1C ZINC000252892375 402661319 /nfs/dbraw/zinc/66/13/19/402661319.db2.gz NUMNARKQNHDKJK-KCQAQPDRSA-N 0 3 306.431 2.124 20 30 DEEDHN C=CCN1CCC(NC(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000172542798 402661453 /nfs/dbraw/zinc/66/14/53/402661453.db2.gz OMVBJQCWTOENNJ-UHFFFAOYSA-N 0 3 318.421 2.036 20 30 DEEDHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191341284 402662139 /nfs/dbraw/zinc/66/21/39/402662139.db2.gz PSGUUSXGIHSGEV-OAHLLOKOSA-N 0 3 312.421 2.017 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CCCOC1 ZINC000174146597 402728558 /nfs/dbraw/zinc/72/85/58/402728558.db2.gz XUDJGTHNYAFFBG-GJZGRUSLSA-N 0 3 307.438 2.076 20 30 DEEDHN CC(C)n1cc(C#N)c(NC(=O)C2CCN(C3CC3)CC2)n1 ZINC000192671348 402743602 /nfs/dbraw/zinc/74/36/02/402743602.db2.gz SHGKZWNJQPOYHL-UHFFFAOYSA-N 0 3 301.394 2.149 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cnn(C)c1C ZINC000183342879 402758568 /nfs/dbraw/zinc/75/85/68/402758568.db2.gz FAHAFGCVTWZBGF-GFCCVEGCSA-N 0 3 314.389 2.338 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cc2C)OCO3)CC1 ZINC000183787871 402797693 /nfs/dbraw/zinc/79/76/93/402797693.db2.gz NAPJSZVFQWZSOY-UHFFFAOYSA-N 0 3 317.389 2.496 20 30 DEEDHN C=CCC[C@@H](O)CN[C@H](CO)c1cccc(Br)c1 ZINC000183912603 402804669 /nfs/dbraw/zinc/80/46/69/402804669.db2.gz PLCLXBYLTMCSHV-ZIAGYGMSSA-N 0 3 314.223 2.399 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)OCC)CC1 ZINC000195093163 402831139 /nfs/dbraw/zinc/83/11/39/402831139.db2.gz RKFAZRUSFYOOEP-UHFFFAOYSA-N 0 3 314.385 2.147 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(-c3ccc(C)o3)n[nH]2)CC1 ZINC000278104988 402855935 /nfs/dbraw/zinc/85/59/35/402855935.db2.gz ADZKSEZKRRLWEQ-UHFFFAOYSA-N 0 3 312.373 2.262 20 30 DEEDHN COC[C@H](NCc1ccc(N(C)CCC#N)cc1)[C@H]1CCCO1 ZINC000278543636 402867905 /nfs/dbraw/zinc/86/79/05/402867905.db2.gz AHSDSRQMSOGXRH-ZWKOTPCHSA-N 0 3 317.433 2.320 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(F)cc2F)CC1 ZINC000264358933 402871163 /nfs/dbraw/zinc/87/11/63/402871163.db2.gz DLILLEHBLGHEBS-UHFFFAOYSA-N 0 3 309.360 2.414 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000264385418 402873523 /nfs/dbraw/zinc/87/35/23/402873523.db2.gz MIRDNQBNMKSBLD-UHFFFAOYSA-N 0 3 311.429 2.378 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000264488432 402883734 /nfs/dbraw/zinc/88/37/34/402883734.db2.gz NMLPPTYDNPMYNM-AWEZNQCLSA-N 0 3 313.401 2.092 20 30 DEEDHN C=C(C)CN1CCC(Nc2ncnc3c2ncn3CC)CC1 ZINC000264497922 402884454 /nfs/dbraw/zinc/88/44/54/402884454.db2.gz PNCWKTGXIZUABE-UHFFFAOYSA-N 0 3 300.410 2.299 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000273074475 402968802 /nfs/dbraw/zinc/96/88/02/402968802.db2.gz GBEMTHZQZAQSNR-UONOGXRCSA-N 0 3 314.223 2.399 20 30 DEEDHN CC1(C)C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000280145824 402968867 /nfs/dbraw/zinc/96/88/67/402968867.db2.gz RHMLUKVSGGVODN-CVEARBPZSA-N 0 3 311.385 2.314 20 30 DEEDHN COC(=O)C1=C(C)O[C@H](CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000272539527 402950674 /nfs/dbraw/zinc/95/06/74/402950674.db2.gz NINWFUDFEUDBDP-ABAIWWIYSA-N 0 3 300.358 2.445 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000265899366 402960308 /nfs/dbraw/zinc/96/03/08/402960308.db2.gz BPOWJKJWJABMAL-HNNXBMFYSA-N 0 3 316.445 2.183 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000272978600 402962612 /nfs/dbraw/zinc/96/26/12/402962612.db2.gz OYIYBTKAIASSCB-HTMJNSLASA-N 0 3 301.390 2.047 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000279953806 402965738 /nfs/dbraw/zinc/96/57/38/402965738.db2.gz GTUMFDVPQYNERA-TVFCKZIOSA-N 0 3 323.396 2.314 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)[C@@H]2C1 ZINC000272258127 402915447 /nfs/dbraw/zinc/91/54/47/402915447.db2.gz JQESTLOFFSKEQG-CZUORRHYSA-N 0 3 314.389 2.147 20 30 DEEDHN C=C(C)CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1 ZINC000279266221 402924186 /nfs/dbraw/zinc/92/41/86/402924186.db2.gz ITIKBUYSNSKRAD-UHFFFAOYSA-N 0 3 315.417 2.395 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccc(C#N)cc1 ZINC000272358873 402927714 /nfs/dbraw/zinc/92/77/14/402927714.db2.gz FDFCOAZXPYISDK-JQFCIGGWSA-N 0 3 312.417 2.355 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1OCC#N ZINC000273224343 402984678 /nfs/dbraw/zinc/98/46/78/402984678.db2.gz DUOUGXGFPFTYAP-AWEZNQCLSA-N 0 3 315.417 2.391 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000274522350 403063580 /nfs/dbraw/zinc/06/35/80/403063580.db2.gz PIAVLJIAAYDCCT-USXIJHARSA-N 0 3 314.429 2.098 20 30 DEEDHN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)C1CCOCC1 ZINC000268465175 403085358 /nfs/dbraw/zinc/08/53/58/403085358.db2.gz GASJWGYPQUQWNS-FZMZJTMJSA-N 0 3 319.430 2.130 20 30 DEEDHN COc1cccc([C@@H](O)CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281824791 403095753 /nfs/dbraw/zinc/09/57/53/403095753.db2.gz XEZRHFKDJDAGGK-KRWDZBQOSA-N 0 3 312.369 2.399 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccc(OC)cc3)C2)C1=O ZINC000282005506 403112520 /nfs/dbraw/zinc/11/25/20/403112520.db2.gz NXDAETCNXMFQAV-WBVHZDCISA-N 0 3 300.402 2.271 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000274873985 403096662 /nfs/dbraw/zinc/09/66/62/403096662.db2.gz UGUNZNKXGFEARI-HOCLYGCPSA-N 0 3 313.401 2.257 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000268611544 403098873 /nfs/dbraw/zinc/09/88/73/403098873.db2.gz ZTPRWEUFALDLSI-HNNXBMFYSA-N 0 3 308.447 2.269 20 30 DEEDHN C=CCN1CC[C@@H](N(CCCO)[C@H]2CCc3ccccc32)C1=O ZINC000282120879 403124439 /nfs/dbraw/zinc/12/44/39/403124439.db2.gz XVBSRQNBRHQASS-ZWKOTPCHSA-N 0 3 314.429 2.145 20 30 DEEDHN C=CCN1CC[C@H](N2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000282115193 403124174 /nfs/dbraw/zinc/12/41/74/403124174.db2.gz XHOXFHXWOXHPDW-KRWDZBQOSA-N 0 3 300.402 2.359 20 30 DEEDHN C#CCN(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000283051225 403166858 /nfs/dbraw/zinc/16/68/58/403166858.db2.gz SHRAIVGEBDPFKV-UHFFFAOYSA-N 0 3 314.433 2.234 20 30 DEEDHN C=CCCN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000276096156 403145661 /nfs/dbraw/zinc/14/56/61/403145661.db2.gz NILVVRBRSHYJID-UHFFFAOYSA-N 0 3 305.422 2.345 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269698638 403158388 /nfs/dbraw/zinc/15/83/88/403158388.db2.gz PGOXRBVXDRCMID-CXAGYDPISA-N 0 3 324.428 2.329 20 30 DEEDHN CC#CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000277318292 403205033 /nfs/dbraw/zinc/20/50/33/403205033.db2.gz BYACLUAIGQAXSH-UHFFFAOYSA-N 0 3 320.820 2.323 20 30 DEEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ncnn1C ZINC000276611789 403191687 /nfs/dbraw/zinc/19/16/87/403191687.db2.gz LLAILEBZYORZFX-AWEZNQCLSA-N 0 3 324.432 2.002 20 30 DEEDHN CC1CCC(O)(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292075860 403284849 /nfs/dbraw/zinc/28/48/49/403284849.db2.gz DDAZXKBIEMIFNS-HQVVEAJESA-N 0 3 315.417 2.348 20 30 DEEDHN C[C@@H]1CN(C2CCN(Cc3ccc(CC#N)cc3)CC2)CCO1 ZINC000342691722 403310834 /nfs/dbraw/zinc/31/08/34/403310834.db2.gz JBUBLBHVNORBRV-MRXNPFEDSA-N 0 3 313.445 2.438 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000342716285 403320070 /nfs/dbraw/zinc/32/00/70/403320070.db2.gz BYQADTNUCXHMAH-CYBMUJFWSA-N 0 3 306.406 2.216 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000342731019 403325726 /nfs/dbraw/zinc/32/57/26/403325726.db2.gz AMKIEOONMYBEBX-HNNXBMFYSA-N 0 3 319.424 2.371 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN([C@@H]3Cc4ccccc4[C@@H]3O)C2)nc1 ZINC000292227329 403327561 /nfs/dbraw/zinc/32/75/61/403327561.db2.gz PJGSPIOEUATSJR-SUMDDJOVSA-N 0 3 321.380 2.065 20 30 DEEDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C#N)c3)C2)C1 ZINC000292635330 403372229 /nfs/dbraw/zinc/37/22/29/403372229.db2.gz AKIIGERVUXAZCN-INIZCTEOSA-N 0 3 300.362 2.389 20 30 DEEDHN CN1CCC[C@]2(CCN(c3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000292802871 403378794 /nfs/dbraw/zinc/37/87/94/403378794.db2.gz NLAFXCNKYTWMBZ-INIZCTEOSA-N 0 3 300.362 2.389 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccccc1C#N ZINC000285910525 403408701 /nfs/dbraw/zinc/40/87/01/403408701.db2.gz SJOMZMIHLJCNTA-ZBFHGGJFSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H](C)COC)C(C)C ZINC000298705490 403443701 /nfs/dbraw/zinc/44/37/01/403443701.db2.gz YFTSBDIUBDSBRA-CVEARBPZSA-N 0 3 311.470 2.361 20 30 DEEDHN C=CCC[C@H](NCCCN1CCC[C@H]1C(N)=O)c1ccco1 ZINC000286144253 403458857 /nfs/dbraw/zinc/45/88/57/403458857.db2.gz PDBRIYCEKZYKPF-GJZGRUSLSA-N 0 3 305.422 2.216 20 30 DEEDHN COC(=O)[C@H]1CSCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000332236812 403524954 /nfs/dbraw/zinc/52/49/54/403524954.db2.gz RYEKBBZBNFNSHA-SWLSCSKDSA-N 0 3 304.415 2.457 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(OC)c2)CC1 ZINC000299171944 403541005 /nfs/dbraw/zinc/54/10/05/403541005.db2.gz XVSLWJFCDRLZCN-CQSZACIVSA-N 0 3 300.402 2.218 20 30 DEEDHN C#C[C@@H](C)NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286952605 403549122 /nfs/dbraw/zinc/54/91/22/403549122.db2.gz FPSOKFGQRFUVIZ-VQIMIIECSA-N 0 3 311.429 2.316 20 30 DEEDHN C#C[C@@H](C)NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286952593 403549474 /nfs/dbraw/zinc/54/94/74/403549474.db2.gz FPSOKFGQRFUVIZ-APWZRJJASA-N 0 3 311.429 2.316 20 30 DEEDHN COC(=O)[C@H]1CSCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000332203951 403513621 /nfs/dbraw/zinc/51/36/21/403513621.db2.gz DEUCCQCHZYSBSB-OAHLLOKOSA-N 0 3 304.415 2.205 20 30 DEEDHN CN(c1ccc(C#N)cn1)C1CCN(CCc2ccccn2)CC1 ZINC000301102373 403590279 /nfs/dbraw/zinc/59/02/79/403590279.db2.gz HVDFMFBRZVNIIU-UHFFFAOYSA-N 0 3 321.428 2.492 20 30 DEEDHN C[C@@H](NCCOCCC#N)c1ccc(N2CCOC2=O)cc1 ZINC000293890325 403591450 /nfs/dbraw/zinc/59/14/50/403591450.db2.gz VAIUFZYGGBCZHZ-CYBMUJFWSA-N 0 3 303.362 2.224 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(F)(F)F)nc1C ZINC000293891982 403591998 /nfs/dbraw/zinc/59/19/98/403591998.db2.gz DLKQGOGGLXSYTL-UHFFFAOYSA-N 0 3 313.323 2.094 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000293932469 403602302 /nfs/dbraw/zinc/60/23/02/403602302.db2.gz IBPMIAAQXDPLAZ-UHFFFAOYSA-N 0 3 317.339 2.198 20 30 DEEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000299563513 403562852 /nfs/dbraw/zinc/56/28/52/403562852.db2.gz GURXAVIKGDZWFM-QWHCGFSZSA-N 0 3 309.435 2.280 20 30 DEEDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)C(C)C#N ZINC000347102817 403615278 /nfs/dbraw/zinc/61/52/78/403615278.db2.gz INNZPFXBXFOYHX-SNVBAGLBSA-N 0 3 310.300 2.016 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC(F)F)c(F)c1 ZINC000293998296 403619754 /nfs/dbraw/zinc/61/97/54/403619754.db2.gz OQOFGJPKGDARBB-UHFFFAOYSA-N 0 3 314.307 2.112 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000293986037 403616693 /nfs/dbraw/zinc/61/66/93/403616693.db2.gz NJRRZDFPAOMLPP-CQSZACIVSA-N 0 3 320.458 2.247 20 30 DEEDHN COCCCN(CCc1ccc(OC)cc1)C(=O)C(C)C#N ZINC000347130840 403617655 /nfs/dbraw/zinc/61/76/55/403617655.db2.gz YCMCDAXASGWZCX-AWEZNQCLSA-N 0 3 304.390 2.262 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(F)c(C#N)c3)C2)C1 ZINC000294190383 403668734 /nfs/dbraw/zinc/66/87/34/403668734.db2.gz PMIQMDNTJNSTSC-KRWDZBQOSA-N 0 3 301.365 2.255 20 30 DEEDHN C[C@H](NC(=O)c1cnccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000343683036 403690511 /nfs/dbraw/zinc/69/05/11/403690511.db2.gz DTHXQMOSWYUHJG-GUYCJALGSA-N 0 3 308.385 2.374 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000287930198 403692824 /nfs/dbraw/zinc/69/28/24/403692824.db2.gz HCGPQSRMSMHAFD-QAPCUYQASA-N 0 3 311.429 2.314 20 30 DEEDHN C=CCNC(=O)c1ccc(NCCN2CC=C(C)CC2)nc1 ZINC000302134145 403707665 /nfs/dbraw/zinc/70/76/65/403707665.db2.gz CSQBZHOBRZSLJF-UHFFFAOYSA-N 0 3 300.406 2.061 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)C12CCCC2 ZINC000450971092 286383294 /nfs/dbraw/zinc/38/32/94/286383294.db2.gz OUHXXMSQGAPSJK-HRCADAONSA-N 0 3 321.465 2.322 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@H](CO)CN1CCCCC1)c1ccccc1 ZINC000288614514 403759766 /nfs/dbraw/zinc/75/97/66/403759766.db2.gz VDIZIPNHSCLJHB-WMZOPIPTSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000361716362 403820250 /nfs/dbraw/zinc/82/02/50/403820250.db2.gz HPXUOSRAOOSIMI-CJNGLKHVSA-N 0 3 318.417 2.473 20 30 DEEDHN Cn1cncc1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000289295934 403900130 /nfs/dbraw/zinc/90/01/30/403900130.db2.gz HRPKDHIVZFIBBV-UHFFFAOYSA-N 0 3 323.444 2.042 20 30 DEEDHN C=CCOCC(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000354663075 403935086 /nfs/dbraw/zinc/93/50/86/403935086.db2.gz URDHLHACWMLMHG-QGZVFWFLSA-N 0 3 318.417 2.151 20 30 DEEDHN C=CCOCC(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000354663071 403935974 /nfs/dbraw/zinc/93/59/74/403935974.db2.gz 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/nfs/dbraw/zinc/03/92/99/404039299.db2.gz DVGLQCMSDUDPQV-QGZVFWFLSA-N 0 3 311.433 2.483 20 30 DEEDHN CN(CC1CCOCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348422416 404068069 /nfs/dbraw/zinc/06/80/69/404068069.db2.gz NWIDICPTQHGPOX-KRWDZBQOSA-N 0 3 311.385 2.126 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000290182491 404071842 /nfs/dbraw/zinc/07/18/42/404071842.db2.gz LGHGWDUZRODJPW-CQSZACIVSA-N 0 3 323.462 2.098 20 30 DEEDHN CN(C)C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(F)cc1 ZINC000290281442 404110267 /nfs/dbraw/zinc/11/02/67/404110267.db2.gz ATSDRXFQZZSHJP-HNNXBMFYSA-N 0 3 300.337 2.058 20 30 DEEDHN CN(CCNC(=O)N1CCC(F)(C#N)CC1)Cc1ccccc1 ZINC000344431001 404132774 /nfs/dbraw/zinc/13/27/74/404132774.db2.gz BPBHRHXPBOPCKG-UHFFFAOYSA-N 0 3 318.396 2.156 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1C ZINC000352086378 404133723 /nfs/dbraw/zinc/13/37/23/404133723.db2.gz PCFFUHLPJDBKPO-ZWKOTPCHSA-N 0 3 324.428 2.039 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)CN1C1CC1 ZINC000328760790 404145942 /nfs/dbraw/zinc/14/59/42/404145942.db2.gz XTGMFULUFCETCV-MBNYWOFBSA-N 0 3 320.437 2.157 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2ccc3c(c2)COC3)CCSC1 ZINC000329073002 404222053 /nfs/dbraw/zinc/22/20/53/404222053.db2.gz OPLBEVVZXPLXJW-INIZCTEOSA-N 0 3 321.446 2.480 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000296296268 404183758 /nfs/dbraw/zinc/18/37/58/404183758.db2.gz JFTXJSPITWHSIF-MRXNPFEDSA-N 0 3 303.381 2.067 20 30 DEEDHN CS(=O)(=O)C1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000344526101 404204628 /nfs/dbraw/zinc/20/46/28/404204628.db2.gz LBIPXMRCEFNQMS-UHFFFAOYSA-N 0 3 310.394 2.143 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[C@H]2C1 ZINC000412250105 404208834 /nfs/dbraw/zinc/20/88/34/404208834.db2.gz LZCXKQPXOYWGMD-SPUZQDLCSA-N 0 3 309.413 2.214 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352239049 404238857 /nfs/dbraw/zinc/23/88/57/404238857.db2.gz 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C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000329487799 404353759 /nfs/dbraw/zinc/35/37/59/404353759.db2.gz ROWJDCBXCPXBOY-GUYCJALGSA-N 0 3 307.438 2.076 20 30 DEEDHN CC(C)Oc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cn1 ZINC000329298542 404294787 /nfs/dbraw/zinc/29/47/87/404294787.db2.gz LLLKQJGEXLBIBX-AWEZNQCLSA-N 0 3 318.421 2.109 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@@H]1N(C)C ZINC000329339453 404306900 /nfs/dbraw/zinc/30/69/00/404306900.db2.gz NSBPANCYKFXVSY-RISCZKNCSA-N 0 3 317.389 2.079 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1c1noc(C)n1 ZINC000329351838 404310340 /nfs/dbraw/zinc/31/03/40/404310340.db2.gz DSCWXFMSSPZECC-KGLIPLIRSA-N 0 3 321.425 2.303 20 30 DEEDHN C=CC[C@H]1N(CC(=O)N[C@@H](C(=O)OC)C(C)C)CCCC1(C)C ZINC000352368491 404321918 /nfs/dbraw/zinc/32/19/18/404321918.db2.gz IPKRAMANYREZAL-GDBMZVCRSA-N 0 3 324.465 2.367 20 30 DEEDHN CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)CN(C)C1CC1 ZINC000290815781 404323438 /nfs/dbraw/zinc/32/34/38/404323438.db2.gz 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C[C@H](Cc1cccc(O)c1)NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000330193711 404580696 /nfs/dbraw/zinc/58/06/96/404580696.db2.gz YROMJMBEDZGGHY-KDOFPFPSSA-N 0 3 317.433 2.265 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCSC2)CC1 ZINC000352822824 404648685 /nfs/dbraw/zinc/64/86/85/404648685.db2.gz ZVZKYXQCSNDZOE-CQSZACIVSA-N 0 3 311.495 2.469 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000352831468 404654179 /nfs/dbraw/zinc/65/41/79/404654179.db2.gz CZCSLLWDGKPVSX-OCCSQVGLSA-N 0 3 314.307 2.064 20 30 DEEDHN Cc1nnsc1CNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000330268386 404607447 /nfs/dbraw/zinc/60/74/47/404607447.db2.gz RDRKGZPYNLBKEL-CYBMUJFWSA-N 0 3 323.466 2.211 20 30 DEEDHN COC1CCC(CNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000330296128 404618582 /nfs/dbraw/zinc/61/85/82/404618582.db2.gz GBQNKWYGTZYZGW-UHFFFAOYSA-N 0 3 309.454 2.322 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)nn1 ZINC000414437155 404629997 /nfs/dbraw/zinc/62/99/97/404629997.db2.gz HPRFEMGZGGDXSI-UHFFFAOYSA-N 0 3 309.417 2.221 20 30 DEEDHN CCOC1(C)CCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)CC1 ZINC000330345188 404632323 /nfs/dbraw/zinc/63/23/23/404632323.db2.gz DWBNWLRYKHTTHM-CQSZACIVSA-N 0 3 320.437 2.251 20 30 DEEDHN C=C(C)CN(CC)C[C@H](O)COc1c(OC)cccc1OC ZINC000357616273 404739826 /nfs/dbraw/zinc/73/98/26/404739826.db2.gz FMVWVNRNKLOJCS-AWEZNQCLSA-N 0 3 309.406 2.342 20 30 DEEDHN C[C@H](CCN1CCOCC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358556574 404766338 /nfs/dbraw/zinc/76/63/38/404766338.db2.gz BLUNNJLBORQDRN-KGLIPLIRSA-N 0 3 305.397 2.459 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(Cc3cccc(C#N)c3)C2)CC1 ZINC000375908868 404769960 /nfs/dbraw/zinc/76/99/60/404769960.db2.gz ZJIARPVVUZVMKH-IBGZPJMESA-N 0 3 312.461 2.159 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000357096899 404727815 /nfs/dbraw/zinc/72/78/15/404727815.db2.gz YUZVMBOEUPYCOC-ZNMIVQPWSA-N 0 3 307.438 2.026 20 30 DEEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(OCC(N)=O)c1)CC2 ZINC000353277724 404789484 /nfs/dbraw/zinc/78/94/84/404789484.db2.gz VOHHJIORCZKRHN-SFHVURJKSA-N 0 3 321.380 2.199 20 30 DEEDHN C=CCCCCNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000359469132 404794336 /nfs/dbraw/zinc/79/43/36/404794336.db2.gz ZLZXBKUSDFLYCF-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000359904417 404808606 /nfs/dbraw/zinc/80/86/06/404808606.db2.gz CUWRMVOXADLHIN-JTQLQIEISA-N 0 3 300.249 2.375 20 30 DEEDHN C[C@H]1CN(c2ccc(C#N)cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000376213676 404817555 /nfs/dbraw/zinc/81/75/55/404817555.db2.gz YRKYOOFWFZIFBM-YOEHRIQHSA-N 0 3 316.424 2.160 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCCN(Cc2ccccc2C)CC1 ZINC000360173532 404820344 /nfs/dbraw/zinc/82/03/44/404820344.db2.gz PCDNSMIXQARWNS-QGZVFWFLSA-N 0 3 315.461 2.193 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H](COC)C2)CC1 ZINC000377315408 404835771 /nfs/dbraw/zinc/83/57/71/404835771.db2.gz CUHNTAPNNOBYQI-INIZCTEOSA-N 0 3 323.481 2.485 20 30 DEEDHN N#CC(C(=O)c1cnnn1Cc1ccccc1)c1ccccn1 ZINC000353519949 404855360 /nfs/dbraw/zinc/85/53/60/404855360.db2.gz NZUHYMCYVBZRGC-CQSZACIVSA-N 0 3 303.325 2.211 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000435673194 405003078 /nfs/dbraw/zinc/00/30/78/405003078.db2.gz MJGRNDJOOXAGFM-ZACQAIPSSA-N 0 3 302.418 2.387 20 30 DEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC ZINC000451786697 405036949 /nfs/dbraw/zinc/03/69/49/405036949.db2.gz RERKRXOWNSUKLU-CABCVRRESA-N 0 3 302.374 2.388 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000424109188 405008940 /nfs/dbraw/zinc/00/89/40/405008940.db2.gz ZKWZISNAXUCJNW-IAGOWNOFSA-N 0 3 315.417 2.215 20 30 DEEDHN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424114248 405011771 /nfs/dbraw/zinc/01/17/71/405011771.db2.gz QNOLGXAJLVNFSO-LLVKDONJSA-N 0 3 308.769 2.258 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000424118358 405013152 /nfs/dbraw/zinc/01/31/52/405013152.db2.gz DHICMOUXIZDZKM-GDBMZVCRSA-N 0 3 303.381 2.238 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1csc(-c2ccco2)n1 ZINC000424118914 405013312 /nfs/dbraw/zinc/01/33/12/405013312.db2.gz DVGUEFSTSQVIQO-NSHDSACASA-N 0 3 304.375 2.040 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000424134916 405018263 /nfs/dbraw/zinc/01/82/63/405018263.db2.gz OLRWYHREZSCXMZ-DLBZAZTESA-N 0 3 308.385 2.308 20 30 DEEDHN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H](N)CCCC#N)cs1 ZINC000424143021 405019924 /nfs/dbraw/zinc/01/99/24/405019924.db2.gz JIFHSLDFMVXHPX-AAEUAGOBSA-N 0 3 324.450 2.220 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000424142596 405020300 /nfs/dbraw/zinc/02/03/00/405020300.db2.gz YNBXAWOSEITVRY-CQSZACIVSA-N 0 3 301.394 2.032 20 30 DEEDHN CCc1ccc([C@H]2CN(C(=O)[C@@H](N)CCCC#N)CCO2)cc1 ZINC000424173650 405029219 /nfs/dbraw/zinc/02/92/19/405029219.db2.gz OGWFVKZYRWXOCB-DLBZAZTESA-N 0 3 315.417 2.170 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000424175367 405029250 /nfs/dbraw/zinc/02/92/50/405029250.db2.gz PYZXTQCJPFHGCV-JSGCOSHPSA-N 0 3 321.808 2.341 20 30 DEEDHN C=CCn1cc(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000424175045 405030028 /nfs/dbraw/zinc/03/00/28/405030028.db2.gz SRNVCIOGBWVOGP-QAPCUYQASA-N 0 3 311.433 2.074 20 30 DEEDHN CC1(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c2cc(N)ccc2O1 ZINC000424177174 405031323 /nfs/dbraw/zinc/03/13/23/405031323.db2.gz PSARWQNOBRCHFU-KBPBESRZSA-N 0 3 316.405 2.008 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424445343 405096742 /nfs/dbraw/zinc/09/67/42/405096742.db2.gz FCUXUTXFNYEVNH-CYBMUJFWSA-N 0 3 303.406 2.253 20 30 DEEDHN CO[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000361361342 405038992 /nfs/dbraw/zinc/03/89/92/405038992.db2.gz FYVMWEGRNLRMAG-LLVKDONJSA-N 0 3 319.430 2.158 20 30 DEEDHN C=CCNC(=O)CN[C@H](Cc1ccncc1)c1cccs1 ZINC000424276233 405055675 /nfs/dbraw/zinc/05/56/75/405055675.db2.gz DKAFGGHWKXULKN-CQSZACIVSA-N 0 3 301.415 2.319 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000354439627 405212211 /nfs/dbraw/zinc/21/22/11/405212211.db2.gz FZNPZSWXNJMMID-GOSISDBHSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(C[C@@H](C)N(C)Cc2ccccc2)C1=O ZINC000420002920 405279373 /nfs/dbraw/zinc/27/93/73/405279373.db2.gz SHUDEMNHDHFJOA-GDBMZVCRSA-N 0 3 315.417 2.394 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000439621664 405286250 /nfs/dbraw/zinc/28/62/50/405286250.db2.gz DAYCUEXFVLQPRO-NILFDRSVSA-N 0 3 301.390 2.288 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425006360 405228576 /nfs/dbraw/zinc/22/85/76/405228576.db2.gz LUKSOYLJFOZWAP-XZKMEQPCSA-N 0 3 309.413 2.269 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425006356 405228924 /nfs/dbraw/zinc/22/89/24/405228924.db2.gz LUKSOYLJFOZWAP-NOCIGQNYSA-N 0 3 309.413 2.269 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000438206503 405237358 /nfs/dbraw/zinc/23/73/58/405237358.db2.gz YLHPFKLFVZMGPT-DGCLKSJQSA-N 0 3 302.378 2.171 20 30 DEEDHN COCC(C)(C)N1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000425508674 405299180 /nfs/dbraw/zinc/29/91/80/405299180.db2.gz RUKXQPILEVOGJH-UHFFFAOYSA-N 0 3 304.409 2.220 20 30 DEEDHN CN(C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425610754 405307060 /nfs/dbraw/zinc/30/70/60/405307060.db2.gz MUIKMOOYWPTITM-IMJJTQAJSA-N 0 3 300.406 2.281 20 30 DEEDHN C=C(C)CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000454813371 405377232 /nfs/dbraw/zinc/37/72/32/405377232.db2.gz KOVLCBHHVNRVAP-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN CN(CCCNC(=O)C1CCC1)Cc1ccc(C#N)c(F)c1 ZINC000429555502 405436365 /nfs/dbraw/zinc/43/63/65/405436365.db2.gz FOKLZWNTVUXYRI-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)NCc1ccc(C)c(F)c1 ZINC000429702899 405444194 /nfs/dbraw/zinc/44/41/94/405444194.db2.gz PANARMWWPSKJRE-UHFFFAOYSA-N 0 3 321.440 2.190 20 30 DEEDHN CC(C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000492077924 405480295 /nfs/dbraw/zinc/48/02/95/405480295.db2.gz MLUAOMHLJHTUBO-UPJWGTAASA-N 0 3 307.394 2.146 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000448979636 405484755 /nfs/dbraw/zinc/48/47/55/405484755.db2.gz JVKXSTKREPPDFO-HNNXBMFYSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000492915596 405518966 /nfs/dbraw/zinc/51/89/66/405518966.db2.gz ZPPFATFAOXRIHS-KZNAEPCWSA-N 0 3 316.445 2.257 20 30 DEEDHN CCN1C[C@H](C)N(Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000577833610 405523209 /nfs/dbraw/zinc/52/32/09/405523209.db2.gz WUXRKZLKQSXWOK-KBPBESRZSA-N 0 3 315.417 2.259 20 30 DEEDHN N#CC1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000577862465 405529953 /nfs/dbraw/zinc/52/99/53/405529953.db2.gz VAGMJTLIHAUKBC-DLBZAZTESA-N 0 3 324.428 2.206 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000556812910 405538758 /nfs/dbraw/zinc/53/87/58/405538758.db2.gz UYGKBGXURXNPNO-AWEZNQCLSA-N 0 3 300.406 2.112 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459033730 405706655 /nfs/dbraw/zinc/70/66/55/405706655.db2.gz RUSWYWMTWHBBMO-CABCVRRESA-N 0 3 323.462 2.165 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459127573 405760071 /nfs/dbraw/zinc/76/00/71/405760071.db2.gz SJRFZBWLWKYFTD-WBMJQRKESA-N 0 3 318.396 2.179 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncccc2F)cc1 ZINC000530311893 405780325 /nfs/dbraw/zinc/78/03/25/405780325.db2.gz VZXQJPUKKRHTCX-CQSZACIVSA-N 0 3 308.316 2.091 20 30 DEEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000560271351 405783584 /nfs/dbraw/zinc/78/35/84/405783584.db2.gz XFSLKKBHIHFBQC-GLZQIGESSA-N 0 3 301.365 2.405 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)c1cccc(C#N)c1Br ZINC000457250406 405768130 /nfs/dbraw/zinc/76/81/30/405768130.db2.gz USJXCNSROLVMII-UHFFFAOYSA-N 0 3 324.222 2.391 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495442333 405899335 /nfs/dbraw/zinc/89/93/35/405899335.db2.gz FNAJOVJTLHVVCK-WBMJQRKESA-N 0 3 307.394 2.006 20 30 DEEDHN C=CCOc1ccc(CN2CCC3(COC(=O)N3)CC2)cc1 ZINC000495266644 405858633 /nfs/dbraw/zinc/85/86/33/405858633.db2.gz UDTKEUQYKAVMLZ-UHFFFAOYSA-N 0 3 302.374 2.326 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(n2cncn2)CC1 ZINC000433341988 405928436 /nfs/dbraw/zinc/92/84/36/405928436.db2.gz JRVFVPRBNMLPIK-INIZCTEOSA-N 0 3 323.400 2.214 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N(CCOCCC#N)C2CC2)C1 ZINC000495725386 405931351 /nfs/dbraw/zinc/93/13/51/405931351.db2.gz FBQZDOQPQDBRER-OAHLLOKOSA-N 0 3 323.437 2.390 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000496097847 405950035 /nfs/dbraw/zinc/95/00/35/405950035.db2.gz AQVUFSBSMMPGTH-ZDUSSCGKSA-N 0 3 306.410 2.419 20 30 DEEDHN COC(=O)CCCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433234659 405904923 /nfs/dbraw/zinc/90/49/23/405904923.db2.gz SSNKYHWPYUUDDL-HNNXBMFYSA-N 0 3 302.374 2.171 20 30 DEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000562442987 406011601 /nfs/dbraw/zinc/01/16/01/406011601.db2.gz BTEPHDWQCCFRCA-VNQPRFMTSA-N 0 3 312.417 2.054 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)N(CC)CCC#N)C12CCCC2 ZINC000450967390 406005285 /nfs/dbraw/zinc/00/52/85/406005285.db2.gz JBMMLLQWDODAAP-GJZGRUSLSA-N 0 3 307.438 2.076 20 30 DEEDHN CC1CC(C#N)(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000531808639 406009440 /nfs/dbraw/zinc/00/94/40/406009440.db2.gz SUSHZLLOFRKPBO-UHFFFAOYSA-N 0 3 311.429 2.491 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000566426755 406089001 /nfs/dbraw/zinc/08/90/01/406089001.db2.gz WMMUKMIHIKJNPN-MRXNPFEDSA-N 0 3 313.445 2.438 20 30 DEEDHN CCC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCC1 ZINC000459787957 406045623 /nfs/dbraw/zinc/04/56/23/406045623.db2.gz DTDAPUYXHREEPK-HNNXBMFYSA-N 0 3 321.446 2.285 20 30 DEEDHN CC(C)n1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000564751801 406065478 /nfs/dbraw/zinc/06/54/78/406065478.db2.gz IOXBXJCTAPSZAH-MRXNPFEDSA-N 0 3 321.384 2.334 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C2(C(=O)OCC)CCCC2)CC1 ZINC000567939886 406164047 /nfs/dbraw/zinc/16/40/47/406164047.db2.gz DCAVYEUYWOPZJZ-UHFFFAOYSA-N 0 3 322.449 2.267 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639748900 406232469 /nfs/dbraw/zinc/23/24/69/406232469.db2.gz HJQIQQFMPKHHSQ-HZPDHXFCSA-N 0 3 307.482 2.238 20 30 DEEDHN C=CC[NH+]1CCC(Nc2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000568634315 406219991 /nfs/dbraw/zinc/21/99/91/406219991.db2.gz PNESHRGJVNJHFW-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000569473802 406259945 /nfs/dbraw/zinc/25/99/45/406259945.db2.gz WHQQIQKZZKUEOA-VNQPRFMTSA-N 0 3 313.401 2.021 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CSC)C2)CC1 ZINC000488801287 406350188 /nfs/dbraw/zinc/35/01/88/406350188.db2.gz PDSMWSHQOXCYOR-AWEZNQCLSA-N 0 3 311.495 2.421 20 30 DEEDHN CC(C)(CNc1ccnc(C#N)n1)N1CCc2ccccc2C1 ZINC000570175634 406358892 /nfs/dbraw/zinc/35/88/92/406358892.db2.gz KMPHBVYLFKIVFY-UHFFFAOYSA-N 0 3 307.401 2.019 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1c(OC)cccc1OC ZINC000489423182 406404892 /nfs/dbraw/zinc/40/48/92/406404892.db2.gz HNNCFKAHAREVOQ-HUUCEWRRSA-N 0 3 321.417 2.484 20 30 DEEDHN CC(C#N)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000522984800 406415142 /nfs/dbraw/zinc/41/51/42/406415142.db2.gz OKXYKTZAKFWJBM-SSDOTTSWSA-N 0 3 320.702 2.442 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nc(C(C)=O)c(C)s2)CC1 ZINC000640203557 406426682 /nfs/dbraw/zinc/42/66/82/406426682.db2.gz CVCNFYKVSUWWJH-UHFFFAOYSA-N 0 3 322.434 2.426 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC(CCO)CC1 ZINC000525423350 406487154 /nfs/dbraw/zinc/48/71/54/406487154.db2.gz QQCJYAMMPHAJEX-UHFFFAOYSA-N 0 3 304.390 2.040 20 30 DEEDHN C#CCNC(=O)C1CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000491202480 406543190 /nfs/dbraw/zinc/54/31/90/406543190.db2.gz OMHRGZZJRKMOFM-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000491265587 406557249 /nfs/dbraw/zinc/55/72/49/406557249.db2.gz LWNIUVAVNRWRQO-UHFFFAOYSA-N 0 3 324.428 2.174 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)cc1 ZINC000491297762 406563506 /nfs/dbraw/zinc/56/35/06/406563506.db2.gz RZDWVLRKXDPLMU-NUTKFTJISA-N 0 3 315.392 2.424 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000491298615 406563641 /nfs/dbraw/zinc/56/36/41/406563641.db2.gz WIUTVXXFCIJIKA-CQSZACIVSA-N 0 3 320.462 2.157 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000527317695 406616312 /nfs/dbraw/zinc/61/63/12/406616312.db2.gz ICQMXORDKYZWKS-DLBZAZTESA-N 0 3 323.396 2.458 20 30 DEEDHN C[C@H](CNCc1cnc2c(C#N)cnn2c1)N(C)c1ccccc1 ZINC000549763782 406591569 /nfs/dbraw/zinc/59/15/69/406591569.db2.gz MXNRNATXOWUIBG-CQSZACIVSA-N 0 3 320.400 2.215 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000491441364 406594000 /nfs/dbraw/zinc/59/40/00/406594000.db2.gz VNKMIJZFSXNFRD-UHFFFAOYSA-N 0 3 314.216 2.261 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(SC)cc1 ZINC000491658281 406653842 /nfs/dbraw/zinc/65/38/42/406653842.db2.gz VWNQLQXXWKVSLX-UHFFFAOYSA-N 0 3 305.447 2.163 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1sc(C(C)(C)OC)nc1C ZINC000491673408 406663391 /nfs/dbraw/zinc/66/33/91/406663391.db2.gz ZRSYXLRDYKPNPI-UHFFFAOYSA-N 0 3 323.462 2.018 20 30 DEEDHN C#CCNC(=O)CCNC/C=C/c1ccc(Br)cc1 ZINC000491690553 406669888 /nfs/dbraw/zinc/66/98/88/406669888.db2.gz BQWDIHOZHJSNTO-ONEGZZNKSA-N 0 3 321.218 2.191 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCSC2(CCC2)CC1 ZINC000491707789 406679848 /nfs/dbraw/zinc/67/98/48/406679848.db2.gz NYKDFBAJWNSSMQ-UHFFFAOYSA-N 0 3 309.479 2.013 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000491712261 406683669 /nfs/dbraw/zinc/68/36/69/406683669.db2.gz WSZKIDNWICJCAT-MUJYYYPQSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000491729397 406690711 /nfs/dbraw/zinc/69/07/11/406690711.db2.gz JQPAYUFJIXSLQL-SJLPKXTDSA-N 0 3 300.377 2.085 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000491815787 406734155 /nfs/dbraw/zinc/73/41/55/406734155.db2.gz LTAJYKICENTCQR-SWLSCSKDSA-N 0 3 321.371 2.075 20 30 DEEDHN C#CCN1CCC(C(=O)OCCN(C)Cc2ccccc2)CC1 ZINC000491819885 406735981 /nfs/dbraw/zinc/73/59/81/406735981.db2.gz PJYSAXWHIPJNSY-UHFFFAOYSA-N 0 3 314.429 2.007 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000491929659 406781272 /nfs/dbraw/zinc/78/12/72/406781272.db2.gz CUTJTKNRUSEPPT-JHJVBQTASA-N 0 3 309.410 2.346 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1cccc(C(F)(F)F)c1 ZINC000573456935 406773633 /nfs/dbraw/zinc/77/36/33/406773633.db2.gz CEQQHJKIOUZGAB-AWEZNQCLSA-N 0 3 315.339 2.001 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(Br)c(F)c1 ZINC000641767345 406887541 /nfs/dbraw/zinc/88/75/41/406887541.db2.gz JFLZWLWIYMVAIO-LLVKDONJSA-N 0 3 300.171 2.452 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cc(F)cc(Br)c1 ZINC000641768077 406888006 /nfs/dbraw/zinc/88/80/06/406888006.db2.gz VSWMMIIITWDXBP-ZDUSSCGKSA-N 0 3 300.171 2.452 20 30 DEEDHN CC#CC[C@@H](CO)NCc1ccc(OCC(F)(F)F)cc1 ZINC000641768844 406888590 /nfs/dbraw/zinc/88/85/90/406888590.db2.gz JPRAAYHRPNGYIG-ZDUSSCGKSA-N 0 3 301.308 2.492 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)[C@H]1CNCCC1(F)F ZINC000644052175 407077717 /nfs/dbraw/zinc/07/77/17/407077717.db2.gz JVNQIBVVJNCZEU-CYBMUJFWSA-N 0 3 310.344 2.112 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCC#Cc1cccc(F)c1 ZINC000338042107 226152644 /nfs/dbraw/zinc/15/26/44/226152644.db2.gz LCSSUOBLTKTFCI-OAHLLOKOSA-N 0 3 317.408 2.351 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000290817456 221943982 /nfs/dbraw/zinc/94/39/82/221943982.db2.gz VLORCKBEUYXCFS-MJGOQNOKSA-N 0 3 316.445 2.340 20 30 DEEDHN Cc1cc(NC(=O)N2CCN(c3ccncc3)CC2)ncc1C#N ZINC000603118010 422447430 /nfs/dbraw/zinc/44/74/30/422447430.db2.gz DXPYOYMZYIUJBY-UHFFFAOYSA-N 0 3 322.372 2.011 20 30 DEEDHN CCN1CCN([C@H](C)CNc2ncc(Cl)c(C)c2C#N)CC1 ZINC000612070480 422480888 /nfs/dbraw/zinc/48/08/88/422480888.db2.gz YJPHFLFCZHGATJ-GFCCVEGCSA-N 0 3 321.856 2.353 20 30 DEEDHN CCN1C[C@H](C)N(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000330541792 266159275 /nfs/dbraw/zinc/15/92/75/266159275.db2.gz ABPSSRFBLGMVPG-RYUDHWBXSA-N 0 3 318.421 2.121 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2csc(NC3CC3)n2)CC1 ZINC000330260987 424909235 /nfs/dbraw/zinc/90/92/35/424909235.db2.gz OSSJALWEDHWNTK-UHFFFAOYSA-N 0 3 320.462 3.063 20 30 DEEDHN Cc1cc(CN2CCC[C@@H](c3ccnc(N)n3)C2)ccc1C#N ZINC000331598017 424914852 /nfs/dbraw/zinc/91/48/52/424914852.db2.gz UDZRJAAUNRKCDV-MRXNPFEDSA-N 0 3 307.401 2.619 20 30 DEEDHN Cc1ccc([C@@H](CNc2ccc(C#N)c(N)n2)N2CCCC2)o1 ZINC000571061349 424930522 /nfs/dbraw/zinc/93/05/22/424930522.db2.gz VXKRVXYKAFCQSZ-CQSZACIVSA-N 0 3 311.389 2.686 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000649407044 425012884 /nfs/dbraw/zinc/01/28/84/425012884.db2.gz DLEFZASSIFLMAH-JKSUJKDBSA-N 0 3 306.450 2.038 20 30 DEEDHN CSc1ccc([C@@H](CNc2cc(C#N)cnn2)N(C)C)cc1 ZINC000596245967 425022026 /nfs/dbraw/zinc/02/20/26/425022026.db2.gz CKLQYBILNYDLDZ-OAHLLOKOSA-N 0 3 313.430 2.785 20 30 DEEDHN C=CCC1(C(=O)Nc2ccn(CCN(C)C)n2)CCCCC1 ZINC000448830818 425059002 /nfs/dbraw/zinc/05/90/02/425059002.db2.gz LRUGYTCKDGITBD-UHFFFAOYSA-N 0 3 304.438 2.910 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC(F)(F)C2)CC1 ZINC000650851939 425066424 /nfs/dbraw/zinc/06/64/24/425066424.db2.gz JQEHDKVBWABJSE-UHFFFAOYSA-N 0 3 301.381 2.468 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000652340239 425242482 /nfs/dbraw/zinc/24/24/82/425242482.db2.gz HDWDIHQEVRFVPN-FPCVCCKLSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000660700057 425211065 /nfs/dbraw/zinc/21/10/65/425211065.db2.gz IZUNHJCXOPMQSW-HOTGVXAUSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)COCC2CC2)CC1 ZINC000660707910 425213720 /nfs/dbraw/zinc/21/37/20/425213720.db2.gz SIOQGFRJXLSPFI-OAHLLOKOSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)c2ccccn2)CC1 ZINC000664021265 425290400 /nfs/dbraw/zinc/29/04/00/425290400.db2.gz VUADTWSNSWKHNC-AWEZNQCLSA-N 0 3 302.422 2.135 20 30 DEEDHN C=CCCn1cc(CNC[C@H](Cc2ccccc2)N(C)C)nn1 ZINC000657285497 425294223 /nfs/dbraw/zinc/29/42/23/425294223.db2.gz HGEDOHIEJCYUNL-SFHVURJKSA-N 0 3 313.449 2.117 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000654431681 425352389 /nfs/dbraw/zinc/35/23/89/425352389.db2.gz XAVLLEMTKHILKN-SHTZXODSSA-N 0 3 309.454 2.282 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2nc(C#N)cs2)C1 ZINC000496452129 267124038 /nfs/dbraw/zinc/12/40/38/267124038.db2.gz IBRGUUBBWWHIRE-RYUDHWBXSA-N 0 3 322.434 2.361 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000661379280 425394131 /nfs/dbraw/zinc/39/41/31/425394131.db2.gz AOPWXHAJXORZJW-CQSZACIVSA-N 0 3 316.401 2.320 20 30 DEEDHN C=CCOCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000659022383 425522035 /nfs/dbraw/zinc/52/20/35/425522035.db2.gz PULRTFIGRJCARH-UHFFFAOYSA-N 0 3 307.369 2.186 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661983738 425534905 /nfs/dbraw/zinc/53/49/05/425534905.db2.gz LIOVNLSZNJRAMG-NVXWUHKLSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000659259467 425561149 /nfs/dbraw/zinc/56/11/49/425561149.db2.gz JAJBACVMTVVRFH-UHFFFAOYSA-N 0 3 313.401 2.203 20 30 DEEDHN NC[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000655508371 425585371 /nfs/dbraw/zinc/58/53/71/425585371.db2.gz CMGRPFBGPDVAKG-MRVPVSSYSA-N 0 3 318.192 2.464 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000665871117 425661904 /nfs/dbraw/zinc/66/19/04/425661904.db2.gz QHIFOSIACVTHIR-SJLPKXTDSA-N 0 3 320.433 2.131 20 30 DEEDHN COc1cc(CNC[C@@]2(O)CCc3ccccc32)ccc1C#N ZINC000281581962 274094168 /nfs/dbraw/zinc/09/41/68/274094168.db2.gz DIIIMTFCAZDCNK-IBGZPJMESA-N 0 3 308.381 2.490 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000375907699 274930600 /nfs/dbraw/zinc/93/06/00/274930600.db2.gz STLFIGLYJQWJPU-QZTJIDSGSA-N 0 3 322.412 2.142 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000439619278 275425169 /nfs/dbraw/zinc/42/51/69/275425169.db2.gz QSCXXWDDGWNDRG-ZJIFWQFVSA-N 0 3 306.450 2.369 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCC#Cc2ccccc2)C1 ZINC000272516938 277182439 /nfs/dbraw/zinc/18/24/39/277182439.db2.gz YONWSXDBLJBWOK-MSOLQXFVSA-N 0 3 311.429 2.164 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000439619275 277846474 /nfs/dbraw/zinc/84/64/74/277846474.db2.gz QSCXXWDDGWNDRG-CAOSSQGBSA-N 0 3 306.450 2.369 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@H]1C)C(C)C ZINC000079440304 277848106 /nfs/dbraw/zinc/84/81/06/277848106.db2.gz SVWWVJMEPMMVTR-CVEARBPZSA-N 0 3 309.454 2.115 20 30 DEEDHN CCCN(CCN(C)C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000348296089 278784973 /nfs/dbraw/zinc/78/49/73/278784973.db2.gz DXGYPWAVZFGRFV-KRWDZBQOSA-N 0 3 312.417 2.041 20 30 DEEDHN C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)O1 ZINC000295819022 278996975 /nfs/dbraw/zinc/99/69/75/278996975.db2.gz XSOFSUJKRMKMRK-OQUILHJVSA-N 0 3 313.401 2.209 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000329327876 279066490 /nfs/dbraw/zinc/06/64/90/279066490.db2.gz KCWJKNWMPZRFLE-MQIPJXDCSA-N 0 3 312.373 2.224 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N(C)CCN(C)C2CC2)c(C#N)c1C ZINC000186793475 279273854 /nfs/dbraw/zinc/27/38/54/279273854.db2.gz SGOLATTYQICIPN-GFCCVEGCSA-N 0 3 318.421 2.121 20 30 DEEDHN C[C@@H]1OCC[C@]1(C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000494247588 288918595 /nfs/dbraw/zinc/91/85/95/288918595.db2.gz LDBLMVYCBTZGOF-YOEHRIQHSA-N 0 3 301.390 2.090 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000333355750 294843584 /nfs/dbraw/zinc/84/35/84/294843584.db2.gz BZLVOGHYIDWVEY-CMPLNLGQSA-N 0 3 302.353 2.285 20 30 DEEDHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329648363 295012081 /nfs/dbraw/zinc/01/20/81/295012081.db2.gz AWOJCBXIHPDVDH-BNOWGMLFSA-N 0 3 308.426 2.211 20 30 DEEDHN N#CCNC(=O)CN(CCc1ccccc1F)C1CCCC1 ZINC000343085808 303155615 /nfs/dbraw/zinc/15/56/15/303155615.db2.gz IGXVPSRRJCRLHG-UHFFFAOYSA-N 0 3 303.381 2.253 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCOc2ccccc2)C[C@@H]1C ZINC001328284955 1148766841 /nfs/dbraw/zinc/76/68/41/1148766841.db2.gz PYBKLVLJMSKNIW-IRXDYDNUSA-N 0 3 314.429 2.448 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)cn1 ZINC000575086839 326217296 /nfs/dbraw/zinc/21/72/96/326217296.db2.gz UKCXQFIGZJZPKE-HNNXBMFYSA-N 0 3 300.406 2.194 20 30 DEEDHN CCc1nncn1CCNCc1cccc(OCCCC#N)c1 ZINC000557828124 331819472 /nfs/dbraw/zinc/81/94/72/331819472.db2.gz PYVJSIXUNFEOPE-UHFFFAOYSA-N 0 3 313.405 2.313 20 30 DEEDHN C=C(C)CNCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000119649964 332260406 /nfs/dbraw/zinc/26/04/06/332260406.db2.gz RGQYQTXRSFUCPZ-UHFFFAOYSA-N 0 3 318.417 2.362 20 30 DEEDHN C[C@H](C#N)CNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000559713523 332277694 /nfs/dbraw/zinc/27/76/94/332277694.db2.gz WDLUQCWMIWDKMM-GMTAPVOTSA-N 0 3 305.344 2.171 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000560413767 332338029 /nfs/dbraw/zinc/33/80/29/332338029.db2.gz ZZYVCYRQNHTXNE-OAGGEKHMSA-N 0 3 307.438 2.036 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000562852141 332632390 /nfs/dbraw/zinc/63/23/90/332632390.db2.gz NAFIPNUWMKVGFG-OAGGEKHMSA-N 0 3 309.454 2.140 20 30 DEEDHN Cc1nc(CCNCc2cnc3c(C#N)cnn3c2)sc1C ZINC000580327450 333192640 /nfs/dbraw/zinc/19/26/40/333192640.db2.gz MRQHPABJONPBSG-UHFFFAOYSA-N 0 3 312.402 2.007 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000497188363 333219501 /nfs/dbraw/zinc/21/95/01/333219501.db2.gz XANSGYQRYDEDQC-QLFBSQMISA-N 0 3 323.437 2.104 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C12CCCC2 ZINC000571611660 333820447 /nfs/dbraw/zinc/82/04/47/333820447.db2.gz WBEQRTAMUFMFSR-SOUVJXGZSA-N 0 3 319.449 2.265 20 30 DEEDHN C=CCCS(=O)(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000119735853 334284778 /nfs/dbraw/zinc/28/47/78/334284778.db2.gz CQMFLUDZBYKDNK-UHFFFAOYSA-N 0 3 322.474 2.455 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](CCC)CCCC)CC1 ZINC000343763058 335191221 /nfs/dbraw/zinc/19/12/21/335191221.db2.gz JNYVZPXARQWCDF-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1cncc2nncn21)C(C)C ZINC000359122783 336658990 /nfs/dbraw/zinc/65/89/90/336658990.db2.gz HUSPULPTSABDRE-CQSZACIVSA-N 0 3 300.410 2.235 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000583079571 337236681 /nfs/dbraw/zinc/23/66/81/337236681.db2.gz BJRPCRSWKQPXBN-GJZGRUSLSA-N 0 3 311.376 2.179 20 30 DEEDHN N#Cc1ccncc1N1CCN(CC2Cc3ccccc3C2)CC1 ZINC000583789245 337333236 /nfs/dbraw/zinc/33/32/36/337333236.db2.gz YDAMIRUYWVDKIN-UHFFFAOYSA-N 0 3 318.424 2.490 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000515314033 337984747 /nfs/dbraw/zinc/98/47/47/337984747.db2.gz MQCJUFVXIKNDMZ-BXUZGUMPSA-N 0 3 308.813 2.402 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CO[C@H](C)C1)C(C)C ZINC000515349180 337986612 /nfs/dbraw/zinc/98/66/12/337986612.db2.gz YSQXOCMWVBEDMG-OWCLPIDISA-N 0 3 309.454 2.162 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncccc2OCCC)CC1 ZINC000429972954 338092857 /nfs/dbraw/zinc/09/28/57/338092857.db2.gz HZONBWLYXPXPCO-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCOCCCC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000430462870 338107567 /nfs/dbraw/zinc/10/75/67/338107567.db2.gz PYPYAWJOFRBTQS-UHFFFAOYSA-N 0 3 320.437 2.380 20 30 DEEDHN CC(C#N)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000496281005 340002118 /nfs/dbraw/zinc/00/21/18/340002118.db2.gz DZFJRZSJORSQJF-FVCCEPFGSA-N 0 3 309.410 2.391 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000496435787 340005382 /nfs/dbraw/zinc/00/53/82/340005382.db2.gz JZBISLXOOAXECE-WCQYABFASA-N 0 3 309.410 2.346 20 30 DEEDHN CC(C#N)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497021836 340018409 /nfs/dbraw/zinc/01/84/09/340018409.db2.gz YTHMNFQOZMXCQY-QWHCGFSZSA-N 0 3 309.410 2.442 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000497081538 340019800 /nfs/dbraw/zinc/01/98/00/340019800.db2.gz NEGWBVNOWIRPMQ-JHJVBQTASA-N 0 3 307.394 2.004 20 30 DEEDHN C=CCNC(=O)CN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502940180 340117167 /nfs/dbraw/zinc/11/71/67/340117167.db2.gz OUXOVBSQHXYMPF-HNNXBMFYSA-N 0 3 317.433 2.418 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000517665791 340474899 /nfs/dbraw/zinc/47/48/99/340474899.db2.gz IIXGNLSCEMKVOV-AWEZNQCLSA-N 0 3 316.449 2.090 20 30 DEEDHN CCOc1ccc(OC[C@@H](O)CN2CCC(CC#N)CC2)cc1 ZINC000543806997 341059943 /nfs/dbraw/zinc/05/99/43/341059943.db2.gz JQTBAQWLIUGCBC-INIZCTEOSA-N 0 3 318.417 2.451 20 30 DEEDHN CN(C)CCOc1ccc(-c2noc(CSCC#N)n2)cc1 ZINC000544983435 341102841 /nfs/dbraw/zinc/10/28/41/341102841.db2.gz HSBSOUDWUMYCKX-UHFFFAOYSA-N 0 3 318.402 2.434 20 30 DEEDHN COc1cccc(N2CCN(CCCSCC#N)CC2)c1 ZINC000074980827 341158606 /nfs/dbraw/zinc/15/86/06/341158606.db2.gz MXRMFPFIXQDHPN-UHFFFAOYSA-N 0 3 305.447 2.464 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000549750369 341302053 /nfs/dbraw/zinc/30/20/53/341302053.db2.gz BAEHMDBWPMXRRZ-PWSUYJOCSA-N 0 3 303.328 2.069 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC000248869305 341388985 /nfs/dbraw/zinc/38/89/85/341388985.db2.gz ZMGPCWWHYCMVHC-MUIFIZLQSA-N 0 3 323.481 2.424 20 30 DEEDHN CN(C)CCOc1ccc(CNC[C@H](C#N)CCC#N)cc1 ZINC000566106883 341547902 /nfs/dbraw/zinc/54/79/02/341547902.db2.gz BNEWOYYRMVDREK-INIZCTEOSA-N 0 3 300.406 2.160 20 30 DEEDHN Cc1c(CNC[C@H](O)CN(C)CCC#N)oc2ccccc12 ZINC000567692415 341627994 /nfs/dbraw/zinc/62/79/94/341627994.db2.gz SWMGYCSQNOSZON-AWEZNQCLSA-N 0 3 301.390 2.037 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000576935874 341870612 /nfs/dbraw/zinc/87/06/12/341870612.db2.gz GDMTUPPNHIGVGS-QZTJIDSGSA-N 0 3 319.424 2.463 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000580655030 341893028 /nfs/dbraw/zinc/89/30/28/341893028.db2.gz AOSAEPMEGVBCIY-CZUORRHYSA-N 0 3 321.380 2.242 20 30 DEEDHN N#Cc1csc(CNCCNC(=O)c2ccccc2F)c1 ZINC000177689119 341924024 /nfs/dbraw/zinc/92/40/24/341924024.db2.gz SVCSZBIQRVZHPL-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cn(C)cn2)CCCCC1 ZINC001378402538 1152318474 /nfs/dbraw/zinc/31/84/74/1152318474.db2.gz VCQSQPCJHLMNRW-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN C[C@H](O)CN1CCN(CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248656972 500930473 /nfs/dbraw/zinc/93/04/73/500930473.db2.gz SBHCEXRMNHTBTJ-GJZGRUSLSA-N 0 3 306.837 2.078 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)c2ccoc2)C1 ZINC001441345938 1181951524 /nfs/dbraw/zinc/95/15/24/1181951524.db2.gz YUKWIRXDGBGPBB-UMSPYCQHSA-N 0 3 313.195 2.286 20 30 DEEDHN C[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)O1 ZINC000295819011 533961654 /nfs/dbraw/zinc/96/16/54/533961654.db2.gz XSOFSUJKRMKMRK-KFZJALRRSA-N 0 3 313.401 2.209 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3ccc(CC)cc3)[C@@H]2C1 ZINC001330361265 1149098895 /nfs/dbraw/zinc/09/88/95/1149098895.db2.gz WUZJWJHYUJKLBC-OWZKRDHZSA-N 0 3 324.468 2.499 20 30 DEEDHN C[C@@H]1NCCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H]1C ZINC000417917704 534130692 /nfs/dbraw/zinc/13/06/92/534130692.db2.gz OJDMTMCMFNLHEX-OFQRWUPVSA-N 0 3 300.406 2.423 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001378852270 1152468066 /nfs/dbraw/zinc/46/80/66/1152468066.db2.gz LHQATROWRVSQLL-KYZUINATSA-N 0 3 318.755 2.198 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCCCS(=O)(=O)c1ccc(C)cc1 ZINC000451609153 534609448 /nfs/dbraw/zinc/60/94/48/534609448.db2.gz PBRNSAWRLWEHOR-CVEARBPZSA-N 0 3 309.431 2.092 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451610313 534611111 /nfs/dbraw/zinc/61/11/11/534611111.db2.gz YSFWGYOCCDRGEC-OIISXLGYSA-N 0 3 313.401 2.255 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@]1(C)CCN(C(=O)CN(CC)CC)C1 ZINC001358804073 1152489321 /nfs/dbraw/zinc/48/93/21/1152489321.db2.gz MSJSKSODNFECRI-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@H](C)OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000162277280 524008802 /nfs/dbraw/zinc/00/88/02/524008802.db2.gz RBDWALINUHZZLT-HNNXBMFYSA-N 0 3 317.433 2.264 20 30 DEEDHN C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N(C)C1CC1 ZINC000162178680 524373240 /nfs/dbraw/zinc/37/32/40/524373240.db2.gz LKORRPBICAJBOE-CYBMUJFWSA-N 0 3 315.417 2.315 20 30 DEEDHN N#Cc1cccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000294780593 534806562 /nfs/dbraw/zinc/80/65/62/534806562.db2.gz LAXVRBUVUBFFJA-DLBZAZTESA-N 0 3 305.381 2.339 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC3(CCOCC3)CC2)CC1 ZINC000375152391 526426024 /nfs/dbraw/zinc/42/60/24/526426024.db2.gz WVYPFYFLQDYHEC-UHFFFAOYSA-N 0 3 321.465 2.239 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@](C)(OC)CC2)CC1 ZINC000369795733 526427841 /nfs/dbraw/zinc/42/78/41/526427841.db2.gz LMHLVFFNEKVJDY-KRWDZBQOSA-N 0 3 309.454 2.237 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C2CCCC2)C1 ZINC000364876149 526579104 /nfs/dbraw/zinc/57/91/04/526579104.db2.gz GUEGKWIFSJYOQW-GFCCVEGCSA-N 0 3 301.350 2.290 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000448143037 526584750 /nfs/dbraw/zinc/58/47/50/526584750.db2.gz RKQNUVVZDYIOSU-WBVHZDCISA-N 0 3 323.481 2.362 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2CCCCO2)CC1 ZINC000346746963 526593864 /nfs/dbraw/zinc/59/38/64/526593864.db2.gz BLBANLXABAPYPC-GDBMZVCRSA-N 0 3 309.454 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](Cc2ccccc2)OC)CC1 ZINC000294645503 526597625 /nfs/dbraw/zinc/59/76/25/526597625.db2.gz PGDAXMILJSXDSB-GOSISDBHSA-N 0 3 316.445 2.401 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccccc2OC)CC1 ZINC000368806899 526605516 /nfs/dbraw/zinc/60/55/16/526605516.db2.gz UHDVSOVAANNIKU-UHFFFAOYSA-N 0 3 302.418 2.348 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000336975945 526687851 /nfs/dbraw/zinc/68/78/51/526687851.db2.gz WJQPRQDJHPVKAU-TZMCWYRMSA-N 0 3 307.344 2.500 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC2CCN(CC)CC2)cc1 ZINC000294451965 526740037 /nfs/dbraw/zinc/74/00/37/526740037.db2.gz OZFOFTUZHNEBTP-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCOCCN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000292932340 526771388 /nfs/dbraw/zinc/77/13/88/526771388.db2.gz ZCEKVCZGCAKALZ-UHFFFAOYSA-N 0 3 304.390 2.245 20 30 DEEDHN C#CCN(C)CCCNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000292926295 526829119 /nfs/dbraw/zinc/82/91/19/526829119.db2.gz YVZIOPVYBXSYTE-UHFFFAOYSA-N 0 3 320.400 2.158 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000299315608 526933242 /nfs/dbraw/zinc/93/32/42/526933242.db2.gz NVZBZPWDTXGUOP-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000369122621 526977240 /nfs/dbraw/zinc/97/72/40/526977240.db2.gz SFEZKVMRLRWKKE-GOEBONIOSA-N 0 3 308.447 2.298 20 30 DEEDHN C=CCSCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417344870 526994527 /nfs/dbraw/zinc/99/45/27/526994527.db2.gz QWGXEEDFIQAXIR-OAHLLOKOSA-N 0 3 305.447 2.092 20 30 DEEDHN C=CCC(CC=C)C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000429036837 527034036 /nfs/dbraw/zinc/03/40/36/527034036.db2.gz URRVSEYFBKTCLP-UHFFFAOYSA-N 0 3 300.406 2.198 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cc(O)ccc1Br ZINC000341278352 527078632 /nfs/dbraw/zinc/07/86/32/527078632.db2.gz RMSUXZSWCQLDCY-SNVBAGLBSA-N 0 3 300.196 2.429 20 30 DEEDHN C#CCOc1ccc(CN2CCC(CC(=O)NC)CC2)cc1 ZINC000093588253 527099149 /nfs/dbraw/zinc/09/91/49/527099149.db2.gz XIQFDGWPMAACHY-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CCOc1ccccc1CNCCC(=O)NCc1ccccc1 ZINC000133764295 527127537 /nfs/dbraw/zinc/12/75/37/527127537.db2.gz KNJPOGXEAORLTM-UHFFFAOYSA-N 0 3 322.408 2.495 20 30 DEEDHN C=CC[C@H](CO)CNCc1cnc2ccc(Br)cn12 ZINC000341289340 527187283 /nfs/dbraw/zinc/18/72/83/527187283.db2.gz GVGHSJAWTQYBMZ-NSHDSACASA-N 0 3 324.222 2.371 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000373217849 527286791 /nfs/dbraw/zinc/28/67/91/527286791.db2.gz SFSPJYYMBRYERH-DLBZAZTESA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC000337873151 527313588 /nfs/dbraw/zinc/31/35/88/527313588.db2.gz WRJLOPUHIZMJCF-UHFFFAOYSA-N 0 3 315.465 2.481 20 30 DEEDHN C=CCn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC000337835049 527330457 /nfs/dbraw/zinc/33/04/57/527330457.db2.gz BPXKDTJBWHVCBY-UHFFFAOYSA-N 0 3 303.454 2.294 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000341022393 527495506 /nfs/dbraw/zinc/49/55/06/527495506.db2.gz VTJUWYRGYOZNOL-OALUTQOASA-N 0 3 318.461 2.285 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191960506 527615980 /nfs/dbraw/zinc/61/59/80/527615980.db2.gz NWDSGBRUUXANLY-AEFFLSMTSA-N 0 3 300.402 2.307 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346173175 527617432 /nfs/dbraw/zinc/61/74/32/527617432.db2.gz CLEXWVJMUPYCRO-YFHUEUNASA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CC[C@H](O)C1)C(C)C ZINC000190095995 527648791 /nfs/dbraw/zinc/64/87/91/527648791.db2.gz ZETCWYBAZXFSME-YESZJQIVSA-N 0 3 323.481 2.145 20 30 DEEDHN CC(C)NS(=O)(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442711465 527760006 /nfs/dbraw/zinc/76/00/06/527760006.db2.gz DWFLANLBMMFFGD-DZGCQCFKSA-N 0 3 321.446 2.155 20 30 DEEDHN CCN1CC[C@H](NC(=O)c2cccc(C#N)c2Br)C1 ZINC000412882895 527876857 /nfs/dbraw/zinc/87/68/57/527876857.db2.gz VMMUNFJFVZNTPQ-NSHDSACASA-N 0 3 322.206 2.145 20 30 DEEDHN CC(C)c1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000172124331 528100849 /nfs/dbraw/zinc/10/08/49/528100849.db2.gz VXILCLUPIYVPOU-ZCXUNETKSA-N 0 3 313.401 2.426 20 30 DEEDHN CCCCCCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000195210893 528135617 /nfs/dbraw/zinc/13/56/17/528135617.db2.gz YWQVGEZESPCVQQ-HNNXBMFYSA-N 0 3 302.484 2.457 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(CC#N)cc2)C1(C)C ZINC000444807246 528156235 /nfs/dbraw/zinc/15/62/35/528156235.db2.gz WEDRNAULYBJYKK-FUHWJXTLSA-N 0 3 302.418 2.408 20 30 DEEDHN CCCCCN(CCO)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280687633 528176719 /nfs/dbraw/zinc/17/67/19/528176719.db2.gz VXMXHSXKMBNVIU-KRWDZBQOSA-N 0 3 313.401 2.252 20 30 DEEDHN CC(C)C[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)N(C)C ZINC000294911955 528529388 /nfs/dbraw/zinc/52/93/88/528529388.db2.gz WNZARQBLRLKSKS-QGZVFWFLSA-N 0 3 316.449 2.330 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000375832429 528691853 /nfs/dbraw/zinc/69/18/53/528691853.db2.gz XGUBQDQMYQFXRM-IXDOHACOSA-N 0 3 321.465 2.133 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000375832431 528693289 /nfs/dbraw/zinc/69/32/89/528693289.db2.gz XGUBQDQMYQFXRM-ZACQAIPSSA-N 0 3 321.465 2.133 20 30 DEEDHN CCN1CCC(NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000331298873 528960222 /nfs/dbraw/zinc/96/02/22/528960222.db2.gz UCROLHFAVLCAJA-UHFFFAOYSA-N 0 3 307.350 2.392 20 30 DEEDHN CCN1CCC(N(C)C(=O)c2cccc(C(=O)NC)c2)CC1 ZINC000330912105 528970901 /nfs/dbraw/zinc/97/09/01/528970901.db2.gz WPVZSDSDCYNETQ-UHFFFAOYSA-N 0 3 303.406 2.177 20 30 DEEDHN CC[C@](C)(C#N)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428539447 529352948 /nfs/dbraw/zinc/35/29/48/529352948.db2.gz PXDHAVMHDMZDBQ-DOTOQJQBSA-N 0 3 301.390 2.132 20 30 DEEDHN CC[C@@H](C)N1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000295912822 529355276 /nfs/dbraw/zinc/35/52/76/529355276.db2.gz DWUXJMWCMASOAU-GFCCVEGCSA-N 0 3 318.421 2.123 20 30 DEEDHN CCN1CCN(CC(C)(C)Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000450921465 535675070 /nfs/dbraw/zinc/67/50/70/535675070.db2.gz IALZSEYKHIAZLZ-UHFFFAOYSA-N 0 3 321.856 2.435 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000451494488 536799539 /nfs/dbraw/zinc/79/95/39/536799539.db2.gz KTWLBZDNBQSYOI-ZLKJLUDKSA-N 0 3 319.405 2.498 20 30 DEEDHN COCCCN(C(=O)c1cc(C#N)oc1C)C1CCN(C)CC1 ZINC000358246492 536888028 /nfs/dbraw/zinc/88/80/28/536888028.db2.gz ZHTSLOYRNKUJKU-UHFFFAOYSA-N 0 3 319.405 2.033 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C(C)C ZINC001378961970 1152508148 /nfs/dbraw/zinc/50/81/48/1152508148.db2.gz PIBVCDPPOKQUCA-DZGCQCFKSA-N 0 3 302.846 2.020 20 30 DEEDHN CC(C)[C@](O)(CN1CCN(CCC#N)CC1)c1ccccc1 ZINC001414026375 1152521372 /nfs/dbraw/zinc/52/13/72/1152521372.db2.gz UVWWUXMXQHPGKJ-GOSISDBHSA-N 0 3 301.434 2.061 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2nccn2c1)C(C)C ZINC001379002547 1152524781 /nfs/dbraw/zinc/52/47/81/1152524781.db2.gz WQVKUTZNIQJFLS-CQSZACIVSA-N 0 3 320.824 2.431 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000835061199 649873906 /nfs/dbraw/zinc/87/39/06/649873906.db2.gz QRPUKPOVXUAYNH-ZWNOBZJWSA-N 0 3 304.733 2.026 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSC2CC2)c1 ZINC000835061348 649873920 /nfs/dbraw/zinc/87/39/20/649873920.db2.gz KSUPQUPXBWILHP-CYBMUJFWSA-N 0 3 304.371 2.238 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000835068691 649874930 /nfs/dbraw/zinc/87/49/30/649874930.db2.gz HUIULXJHIYZHPW-YUSALJHKSA-N 0 3 308.740 2.428 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@H](C)NCc1cc(O)ccc1Cl ZINC001368707423 1148601506 /nfs/dbraw/zinc/60/15/06/1148601506.db2.gz LLVZAZNCFJENAZ-QWRGUYRKSA-N 0 3 309.797 2.190 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC001369756771 1149147263 /nfs/dbraw/zinc/14/72/63/1149147263.db2.gz VQYXKLJREFGPTA-OCCSQVGLSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn(CCC)nc1C ZINC001368740282 1148630352 /nfs/dbraw/zinc/63/03/52/1148630352.db2.gz GNDWQQZZPKAQSW-LBPRGKRZSA-N 0 3 312.845 2.452 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001327844723 1148656500 /nfs/dbraw/zinc/65/65/00/1148656500.db2.gz UEHXXMQHRLDAGD-HIFRSBDPSA-N 0 3 319.836 2.331 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2cc(C)ccc2F)[C@@H](C)C1 ZINC001327849106 1148658164 /nfs/dbraw/zinc/65/81/64/1148658164.db2.gz PZVAJGJLEPSANL-YOEHRIQHSA-N 0 3 320.408 2.273 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)NC(=O)C[C@H](C)n1ccnc1CC ZINC001379355213 1152614553 /nfs/dbraw/zinc/61/45/53/1152614553.db2.gz CFUULZMDKAMZOY-OLZOCXBDSA-N 0 3 312.845 2.243 20 30 DEEDHN COCCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001379447037 1152625753 /nfs/dbraw/zinc/62/57/53/1152625753.db2.gz YMNPKYYWXCPUHB-GFCCVEGCSA-N 0 3 323.462 2.277 20 30 DEEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000823888265 608280859 /nfs/dbraw/zinc/28/08/59/608280859.db2.gz ILYUIKUQBXEDEJ-CHWSQXEVSA-N 0 3 301.394 2.436 20 30 DEEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823888265 608280861 /nfs/dbraw/zinc/28/08/61/608280861.db2.gz ILYUIKUQBXEDEJ-CHWSQXEVSA-N 0 3 301.394 2.436 20 30 DEEDHN C=C(CC)C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823877859 608307786 /nfs/dbraw/zinc/30/77/86/608307786.db2.gz ISXDEWORMHCUDU-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=C(CC)C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823877859 608307788 /nfs/dbraw/zinc/30/77/88/608307788.db2.gz ISXDEWORMHCUDU-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=C(CC)C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823877859 608307790 /nfs/dbraw/zinc/30/77/90/608307790.db2.gz ISXDEWORMHCUDU-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=C(CC)C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823877859 608307791 /nfs/dbraw/zinc/30/77/91/608307791.db2.gz ISXDEWORMHCUDU-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001023469715 625283295 /nfs/dbraw/zinc/28/32/95/625283295.db2.gz LWLQSYTXMHDTPQ-HNNXBMFYSA-N 0 3 311.429 2.424 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C)nn1 ZINC001025229070 625287674 /nfs/dbraw/zinc/28/76/74/625287674.db2.gz GBZLOERJRCSPNM-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001023512285 625304546 /nfs/dbraw/zinc/30/45/46/625304546.db2.gz LJGCTMRMTQELHV-HNNXBMFYSA-N 0 3 311.429 2.342 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001023519431 625307063 /nfs/dbraw/zinc/30/70/63/625307063.db2.gz BUUHBTBXYDJUPZ-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001023520626 625308858 /nfs/dbraw/zinc/30/88/58/625308858.db2.gz RXLOVTRHPISCIO-CQSZACIVSA-N 0 3 323.396 2.015 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1=CCOCC1 ZINC001025265187 625312325 /nfs/dbraw/zinc/31/23/25/625312325.db2.gz DJOBVPUCCVFKAD-ROUUACIJSA-N 0 3 316.445 2.202 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1nonc1C ZINC001025305230 625332560 /nfs/dbraw/zinc/33/25/60/625332560.db2.gz UYZYJJFOCLWUDQ-ZIAGYGMSSA-N 0 3 304.394 2.023 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001023619222 625352732 /nfs/dbraw/zinc/35/27/32/625352732.db2.gz DOUGEFFBTPRTJM-VQIMIIECSA-N 0 3 310.441 2.253 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2coc(C3CC3)n2)C1 ZINC001023634547 625366202 /nfs/dbraw/zinc/36/62/02/625366202.db2.gz LLLYUCMMOYKAPX-CYBMUJFWSA-N 0 3 301.390 2.017 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001008172517 625368812 /nfs/dbraw/zinc/36/88/12/625368812.db2.gz VVKHCMXUYOGNSA-UONOGXRCSA-N 0 3 319.405 2.296 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001023679990 625385828 /nfs/dbraw/zinc/38/58/28/625385828.db2.gz NPXFETAMFZSAAL-ZDUSSCGKSA-N 0 3 301.390 2.017 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(N(C)C)cc2)C1 ZINC001023721830 625400094 /nfs/dbraw/zinc/40/00/94/625400094.db2.gz JRQWGTDBUFUTLE-MRXNPFEDSA-N 0 3 313.445 2.218 20 30 DEEDHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cc(Cl)cc(C#N)c1 ZINC000930744545 625404866 /nfs/dbraw/zinc/40/48/66/625404866.db2.gz XWGQTIYYCVJYIE-QWHCGFSZSA-N 0 3 307.825 2.099 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000972656215 625411342 /nfs/dbraw/zinc/41/13/42/625411342.db2.gz HTVZFNFNCQVBRO-KRWDZBQOSA-N 0 3 310.401 2.205 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(F)cccc2OC)C1 ZINC001025419552 625418867 /nfs/dbraw/zinc/41/88/67/625418867.db2.gz MLVRILPDFNKAEP-ZIAGYGMSSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c[nH]c3ncccc23)C1 ZINC001023756466 625423828 /nfs/dbraw/zinc/42/38/28/625423828.db2.gz VWTCSNPQFQVPER-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001008312690 625433655 /nfs/dbraw/zinc/43/36/55/625433655.db2.gz KGKQPKMJCIXAEN-CQSZACIVSA-N 0 3 303.406 2.171 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001025455558 625447782 /nfs/dbraw/zinc/44/77/82/625447782.db2.gz GSGBAKDLMKRJGG-UONOGXRCSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001025465720 625459605 /nfs/dbraw/zinc/45/96/05/625459605.db2.gz VNKJZYYYTWOSQY-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2COC)C1 ZINC001025470245 625464549 /nfs/dbraw/zinc/46/45/49/625464549.db2.gz UZGYSQHQPQTEGW-HOTGVXAUSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001025478935 625470328 /nfs/dbraw/zinc/47/03/28/625470328.db2.gz VHTFBXSKMBPGLQ-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001025480330 625473739 /nfs/dbraw/zinc/47/37/39/625473739.db2.gz SZYHSDZNDNMYEC-NVXWUHKLSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C3CC3)on2)C1 ZINC001025496625 625486224 /nfs/dbraw/zinc/48/62/24/625486224.db2.gz UFPIDXOBLCJOCP-GXTWGEPZSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001025527907 625506915 /nfs/dbraw/zinc/50/69/15/625506915.db2.gz NLMQTIXZXLUYGG-VXGBXAGGSA-N 0 3 324.375 2.201 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ocnc2C(F)F)C1 ZINC001025526927 625509962 /nfs/dbraw/zinc/50/99/62/625509962.db2.gz BUVLPMPCWAAVSG-WDEREUQCSA-N 0 3 311.332 2.076 20 30 DEEDHN Cc1nc(CNC[C@H]2CCCN(C(=O)C#CC3CC3)C2)cs1 ZINC001023980794 625510459 /nfs/dbraw/zinc/51/04/59/625510459.db2.gz CAEKOVNUITXIBW-OAHLLOKOSA-N 0 3 317.458 2.193 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnnc3ccccc32)C1 ZINC001025540211 625524192 /nfs/dbraw/zinc/52/41/92/625524192.db2.gz TUMQOSQWGNIHRK-GJZGRUSLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(C3CC3)n2)C1 ZINC001025550462 625539096 /nfs/dbraw/zinc/53/90/96/625539096.db2.gz AZVLWSNBBUCZDM-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2snnc2C(C)C)C1 ZINC001025575117 625572262 /nfs/dbraw/zinc/57/22/62/625572262.db2.gz XKAKCPPBCMWHKQ-STQMWFEESA-N 0 3 320.462 2.125 20 30 DEEDHN C[C@@]1(NC(=O)c2cc(C#N)ccc2Cl)CN2CCC1CC2 ZINC000892771836 625575057 /nfs/dbraw/zinc/57/50/57/625575057.db2.gz VMRGQUUWIVCGQV-MRXNPFEDSA-N 0 3 303.793 2.426 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000969110768 622563178 /nfs/dbraw/zinc/56/31/78/622563178.db2.gz BNRAGVSQISUMOW-GOEBONIOSA-N 0 3 316.449 2.061 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH]cnc32)C1 ZINC001025574196 625577795 /nfs/dbraw/zinc/57/77/95/625577795.db2.gz RFDFHZPCMGSVHQ-HUUCEWRRSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC000969124848 622579368 /nfs/dbraw/zinc/57/93/68/622579368.db2.gz VZAUBXMFKHRIQN-LBPRGKRZSA-N 0 3 309.797 2.326 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001020430379 622634786 /nfs/dbraw/zinc/63/47/86/622634786.db2.gz LSCQXEOXFOLMAH-JOCQHMNTSA-N 0 3 318.808 2.246 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3ncccc3C)C2)cc1 ZINC001020457422 622683820 /nfs/dbraw/zinc/68/38/20/622683820.db2.gz WCOSIOMENVDRKC-IYARVYRRSA-N 0 3 319.408 2.422 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)OCC1CC1 ZINC000120266912 622691304 /nfs/dbraw/zinc/69/13/04/622691304.db2.gz YPPAJOFFGHVDCY-DGCLKSJQSA-N 0 3 316.357 2.158 20 30 DEEDHN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2ccccc2)C1 ZINC000969514124 622804730 /nfs/dbraw/zinc/80/47/30/622804730.db2.gz KXGPLTOZUQRRHN-CYBMUJFWSA-N 0 3 308.385 2.137 20 30 DEEDHN Cc1cccc(CN2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000969527687 622808242 /nfs/dbraw/zinc/80/82/42/622808242.db2.gz ZJGFWDCBCISNGV-AWEZNQCLSA-N 0 3 322.412 2.445 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000969538597 622812823 /nfs/dbraw/zinc/81/28/23/622812823.db2.gz FPTNHTWCLOKYOT-CYBMUJFWSA-N 0 3 301.777 2.259 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000969543050 622815787 /nfs/dbraw/zinc/81/57/87/622815787.db2.gz UUOOOARMSROWAX-MRXNPFEDSA-N 0 3 300.377 2.071 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001025586184 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C#CCCN1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)C(C)(C)C1 ZINC000974780486 633301545 /nfs/dbraw/zinc/30/15/45/633301545.db2.gz ROAYRITUSPBBQS-QGZVFWFLSA-N 0 3 311.429 2.423 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001027000830 633347372 /nfs/dbraw/zinc/34/73/72/633347372.db2.gz WUINHQMXWLQGRL-AHIWAGSCSA-N 0 3 315.392 2.291 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNCc3nccn3CC)C2)C1 ZINC001027051001 633377579 /nfs/dbraw/zinc/37/75/79/633377579.db2.gz OSAOVXHOROLPIC-OAHLLOKOSA-N 0 3 316.449 2.197 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(OC)cn2)C(C)(C)C1 ZINC000974952718 633378775 /nfs/dbraw/zinc/37/87/75/633378775.db2.gz DQMPLICFMDGSKV-MRXNPFEDSA-N 0 3 317.433 2.035 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C(C)(C)C1 ZINC000974978982 633382184 /nfs/dbraw/zinc/38/21/84/633382184.db2.gz CAAWMHGYWHFMDO-DLBZAZTESA-N 0 3 314.404 2.315 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001008784584 633387511 /nfs/dbraw/zinc/38/75/11/633387511.db2.gz 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C=C(C)[C@H]1OCC[C@H]1CNCc1cn(Cc2ccccc2)nn1 ZINC000894216958 636485591 /nfs/dbraw/zinc/48/55/91/636485591.db2.gz LWEGJJMZJFRAFT-FUHWJXTLSA-N 0 3 312.417 2.397 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(Cc2ccccc2)nn1 ZINC000894216957 636485937 /nfs/dbraw/zinc/48/59/37/636485937.db2.gz LWEGJJMZJFRAFT-AEFFLSMTSA-N 0 3 312.417 2.397 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001028645055 636543846 /nfs/dbraw/zinc/54/38/46/636543846.db2.gz JYEOXUHQZLKWEO-CYBMUJFWSA-N 0 3 313.376 2.300 20 30 DEEDHN CC(C)(F)C(=O)N[C@H]1C[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC000982982314 636565006 /nfs/dbraw/zinc/56/50/06/636565006.db2.gz HBMVAYXMMCIREO-MQMHXKEQSA-N 0 3 321.371 2.430 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2sccc2-n2cccc2)C1 ZINC001028724832 636671519 /nfs/dbraw/zinc/67/15/19/636671519.db2.gz PDIUIHGLTFEIDR-CQSZACIVSA-N 0 3 313.426 2.224 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001028758649 636707500 /nfs/dbraw/zinc/70/75/00/636707500.db2.gz 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C=CC(C)(C)C(=O)N1CCC([C@@H](C)NCc2cnns2)CC1 ZINC001029126400 637265737 /nfs/dbraw/zinc/26/57/37/637265737.db2.gz RPYJQWQWAHAMSB-GFCCVEGCSA-N 0 3 322.478 2.467 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC([C@H](C)NCc2ccn(C)n2)CC1 ZINC001029126678 637266808 /nfs/dbraw/zinc/26/68/08/637266808.db2.gz XAANIEVEMVLNQR-AWEZNQCLSA-N 0 3 318.465 2.349 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2oc(C3CC3)nc2C)C[C@H]1C ZINC000947792873 637292005 /nfs/dbraw/zinc/29/20/05/637292005.db2.gz UQXDUCAVSWOOBM-DOMZBBRYSA-N 0 3 315.417 2.466 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(CC)oc2C)C[C@H]1C ZINC000947792980 637295274 /nfs/dbraw/zinc/29/52/74/637295274.db2.gz WORMBAIFJQMFOE-TZMCWYRMSA-N 0 3 303.406 2.151 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn3c2CCCC3)CC1 ZINC001006256946 637296254 /nfs/dbraw/zinc/29/62/54/637296254.db2.gz ZBDLALIJWBJBIA-UHFFFAOYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)c2ccco2)CC1 ZINC000125163461 637417999 /nfs/dbraw/zinc/41/79/99/637417999.db2.gz YAMWYILDMSBPIL-UHFFFAOYSA-N 0 3 313.195 2.382 20 30 DEEDHN C#Cc1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000838722463 637639738 /nfs/dbraw/zinc/63/97/38/637639738.db2.gz DNXSUAPAVVCOHM-UHFFFAOYSA-N 0 3 311.429 2.438 20 30 DEEDHN C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895157515 637686273 /nfs/dbraw/zinc/68/62/73/637686273.db2.gz RBIAYIGOFJVVPF-MLGOLLRUSA-N 0 3 301.390 2.459 20 30 DEEDHN O=C1[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CCCN1[O-] ZINC000895161803 637695504 /nfs/dbraw/zinc/69/55/04/637695504.db2.gz UMNZITYDUCCWRH-ZDUSSCGKSA-N 0 3 300.761 2.382 20 30 DEEDHN COc1ccc(C(C)=NN2CCOCC2)cc1CN1CCCC1 ZINC000839384275 637861322 /nfs/dbraw/zinc/86/13/22/637861322.db2.gz BDWQCGUVOPIHKM-UHFFFAOYSA-N 0 3 317.433 2.347 20 30 DEEDHN C#CC1(O)CCN(Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000895386368 637991852 /nfs/dbraw/zinc/99/18/52/637991852.db2.gz ZVRQGTJRVYVRMS-UHFFFAOYSA-N 0 3 313.376 2.186 20 30 DEEDHN N#Cc1ccc(-c2ccn(CN3CC[C@H](N4CC=CC4)C3)n2)cc1 ZINC000742163043 638039745 /nfs/dbraw/zinc/03/97/45/638039745.db2.gz 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C=CCN1CC(=O)N([C@@H]2CCN([C@H](C)c3ccccc3)C2)C1=O ZINC000761150060 640278857 /nfs/dbraw/zinc/27/88/57/640278857.db2.gz JAZFRQYSUGVSAT-GDBMZVCRSA-N 0 3 313.401 2.272 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)c1ccon1 ZINC000988224268 640374014 /nfs/dbraw/zinc/37/40/14/640374014.db2.gz HGZLLACXEJUZFY-QWRGUYRKSA-N 0 3 316.386 2.001 20 30 DEEDHN CCCN(CC#CCOC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762915760 640483028 /nfs/dbraw/zinc/48/30/28/640483028.db2.gz FISRVECYCPSISQ-OAHLLOKOSA-N 0 3 310.438 2.358 20 30 DEEDHN C#Cc1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000841907855 650599046 /nfs/dbraw/zinc/59/90/46/650599046.db2.gz GCZLLFOWBDDRKM-LJQANCHMSA-N 0 3 319.408 2.354 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nc(C(C)(C)C)cs2)C1 ZINC000988988256 640702674 /nfs/dbraw/zinc/70/26/74/640702674.db2.gz BUOFKXSLYBSGRN-VXGBXAGGSA-N 0 3 305.447 2.266 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc(-c3ccccc3)o2)C1 ZINC000989000808 640705456 /nfs/dbraw/zinc/70/54/56/640705456.db2.gz JIYXAHZMVMUJOD-DZGCQCFKSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(C(F)F)cc2)C1 ZINC000989171805 640743629 /nfs/dbraw/zinc/74/36/29/640743629.db2.gz WRORVYRYCKEMRR-IUODEOHRSA-N 0 3 306.356 2.379 20 30 DEEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786538029 640837498 /nfs/dbraw/zinc/83/74/98/640837498.db2.gz MCLGEPRDNLZOQJ-JOYOIKCWSA-N 0 3 310.806 2.417 20 30 DEEDHN C[C@H]1CSc2ccc(Br)cc2C1=NNC(=N)N ZINC000729931518 640860766 /nfs/dbraw/zinc/86/07/66/640860766.db2.gz KHNJBIWQTQIOKG-LURJTMIESA-N 0 3 313.224 2.378 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897903647 640970988 /nfs/dbraw/zinc/97/09/88/640970988.db2.gz YTPFGVIERPRBSK-IXDOHACOSA-N 0 3 318.417 2.194 20 30 DEEDHN C=CCCCN(CC)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000898246334 641064269 /nfs/dbraw/zinc/06/42/69/641064269.db2.gz QHVFJFIQQQLSRE-UHFFFAOYSA-N 0 3 306.454 2.353 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC000989590295 641158651 /nfs/dbraw/zinc/15/86/51/641158651.db2.gz OCHDTWUTIIKMFR-FZMZJTMJSA-N 0 3 306.793 2.174 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000989643889 641178232 /nfs/dbraw/zinc/17/82/32/641178232.db2.gz OEWMAZSCUIRPJG-UHFFFAOYSA-N 0 3 310.441 2.275 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(OCCC)c2)C1 ZINC000989655883 641188135 /nfs/dbraw/zinc/18/81/35/641188135.db2.gz ACWIBPBGGPXUNC-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC000989707317 641203569 /nfs/dbraw/zinc/20/35/69/641203569.db2.gz LIKNTUFREPLZLT-DTWKUNHWSA-N 0 3 314.282 2.069 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000989776838 641225985 /nfs/dbraw/zinc/22/59/85/641225985.db2.gz XKEBJIQZSAHQNX-WCQYABFASA-N 0 3 306.793 2.174 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2csc(COC)n2)CC1 ZINC000989782150 641228013 /nfs/dbraw/zinc/22/80/13/641228013.db2.gz BGNUNBPCXZMBNO-UHFFFAOYSA-N 0 3 323.462 2.404 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC000989795381 641234740 /nfs/dbraw/zinc/23/47/40/641234740.db2.gz HRBPUFAYWPFHOK-UHFFFAOYSA-N 0 3 316.449 2.498 20 30 DEEDHN CSCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989902383 641280500 /nfs/dbraw/zinc/28/05/00/641280500.db2.gz POHTWMNTORADSQ-UHFFFAOYSA-N 0 3 303.431 2.002 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3scnc3C)CCC[C@@H]12 ZINC000989973974 641315951 /nfs/dbraw/zinc/31/59/51/641315951.db2.gz NUDVYWNTLCFJPP-CJNGLKHVSA-N 0 3 303.431 2.202 20 30 DEEDHN CN(CCOc1cccc(C#N)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000842149370 650659905 /nfs/dbraw/zinc/65/99/05/650659905.db2.gz XIMQRAIMAIGFGU-LJQANCHMSA-N 0 3 321.380 2.474 20 30 DEEDHN CCC#C[C@@H](C)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000842167956 650665162 /nfs/dbraw/zinc/66/51/62/650665162.db2.gz BIDKDQPPNQUBII-CQSZACIVSA-N 0 3 310.438 2.140 20 30 DEEDHN C=CCC[C@H](c1ccccc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924718375 641626023 /nfs/dbraw/zinc/62/60/23/641626023.db2.gz ZFMYSXMXQGHREY-HUUCEWRRSA-N 0 3 301.390 2.176 20 30 DEEDHN COC[C@H](C#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772723965 641681341 /nfs/dbraw/zinc/68/13/41/641681341.db2.gz XRVUXVWOUJZMPF-INIZCTEOSA-N 0 3 316.401 2.370 20 30 DEEDHN COCC(C)(C)NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000772741090 641683546 /nfs/dbraw/zinc/68/35/46/641683546.db2.gz NACPAHHJXPUYHF-CYBMUJFWSA-N 0 3 324.384 2.238 20 30 DEEDHN C[C@@H](CC(C)(C)C#N)NCCNS(=O)(=O)Cc1ccccc1 ZINC000924742053 641809158 /nfs/dbraw/zinc/80/91/58/641809158.db2.gz IGRAALYUXNCKLV-AWEZNQCLSA-N 0 3 323.462 2.024 20 30 DEEDHN Cc1nn(CC(=O)C(C#N)C(=O)NC(C)C)cc1-c1ccccc1 ZINC000774053233 641857301 /nfs/dbraw/zinc/85/73/01/641857301.db2.gz OLUKJKQVPHQCJK-OAHLLOKOSA-N 0 3 324.384 2.092 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\CCO[C@H]2CCOC2)c([O-])c1 ZINC000899227283 641996689 /nfs/dbraw/zinc/99/66/89/641996689.db2.gz IJZJOJKTMOZVOB-JIHKLPAASA-N 0 3 306.406 2.463 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775228461 642018223 /nfs/dbraw/zinc/01/82/23/642018223.db2.gz WFJUOQMVEUMSDK-CYBMUJFWSA-N 0 3 312.325 2.487 20 30 DEEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)CCC1=O ZINC000775530948 642055572 /nfs/dbraw/zinc/05/55/72/642055572.db2.gz FCZPYLCCUBEWLV-YRGRVCCFSA-N 0 3 304.390 2.149 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@@H]1OC ZINC000775977797 642117926 /nfs/dbraw/zinc/11/79/26/642117926.db2.gz DKMOQHSYUMDXPZ-ZFVVBOAOSA-N 0 3 304.390 2.259 20 30 DEEDHN C[NH+]1CCC(OCC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000900679716 642442258 /nfs/dbraw/zinc/44/22/58/642442258.db2.gz VDAMBJRKUGMGJX-UHFFFAOYSA-N 0 3 312.797 2.169 20 30 DEEDHN C=CCc1cc(CN(CCOC)[C@@H]2CCOC2)c(O)c(OC)c1 ZINC000782976605 642949626 /nfs/dbraw/zinc/94/96/26/642949626.db2.gz OGAYHJHBDOVUBX-MRXNPFEDSA-N 0 3 321.417 2.367 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(OCC)nc3)CCC[C@H]12 ZINC000990973609 642969065 /nfs/dbraw/zinc/96/90/65/642969065.db2.gz NPYQQZRDMSXCQP-MAUKXSAKSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCOc1ccc(CN2CCC3(CNC(=O)O3)CC2)cc1 ZINC000783721707 643042022 /nfs/dbraw/zinc/04/20/22/643042022.db2.gz KMMSHMSGXUDIDP-UHFFFAOYSA-N 0 3 302.374 2.326 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000784490544 643144159 /nfs/dbraw/zinc/14/41/59/643144159.db2.gz GKWVMAYLWLXGAY-ZDUSSCGKSA-N 0 3 320.776 2.051 20 30 DEEDHN COCC#CCN1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764239 643156765 /nfs/dbraw/zinc/15/67/65/643156765.db2.gz ZYLCLBAZQJKPSM-HNNXBMFYSA-N 0 3 310.438 2.406 20 30 DEEDHN N#CCOc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000903026161 643230155 /nfs/dbraw/zinc/23/01/55/643230155.db2.gz HAFRMCNPCNCWTB-HNNXBMFYSA-N 0 3 309.373 2.065 20 30 DEEDHN CC[C@H](CN1CCOCC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000903342380 643319752 /nfs/dbraw/zinc/31/97/52/643319752.db2.gz CRYOFWRVBPISDB-DZGCQCFKSA-N 0 3 305.397 2.459 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1nc(C)sc1C ZINC000786297223 643349268 /nfs/dbraw/zinc/34/92/68/643349268.db2.gz QAYSJAKXGXWMND-GFCCVEGCSA-N 0 3 307.419 2.318 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H]2CCOC2)c1 ZINC000786538739 643381097 /nfs/dbraw/zinc/38/10/97/643381097.db2.gz BNEKELANYZAVKX-ZBFHGGJFSA-N 0 3 314.385 2.137 20 30 DEEDHN CO[C@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786552174 643383957 /nfs/dbraw/zinc/38/39/57/643383957.db2.gz KSEIMFXYIALOEA-HIFRSBDPSA-N 0 3 302.374 2.135 20 30 DEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCOCC1 ZINC000787060538 643446419 /nfs/dbraw/zinc/44/64/19/643446419.db2.gz OFXHKHZRVVDZHR-MRXNPFEDSA-N 0 3 314.385 2.171 20 30 DEEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)C1 ZINC000805854833 643549976 /nfs/dbraw/zinc/54/99/76/643549976.db2.gz ZARBJKPCCZLNBT-PESDSKBTSA-N 0 3 300.358 2.458 20 30 DEEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccccc2OC)C1 ZINC000805856624 643554284 /nfs/dbraw/zinc/55/42/84/643554284.db2.gz ZIQPENQRJYYADQ-WXRRBKDZSA-N 0 3 316.357 2.158 20 30 DEEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000904207208 643598139 /nfs/dbraw/zinc/59/81/39/643598139.db2.gz VKSJKUNTQVFXKC-HOTGVXAUSA-N 0 3 322.453 2.254 20 30 DEEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000904207208 643598143 /nfs/dbraw/zinc/59/81/43/643598143.db2.gz VKSJKUNTQVFXKC-HOTGVXAUSA-N 0 3 322.453 2.254 20 30 DEEDHN CCCCCCN(O)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000904207208 643598151 /nfs/dbraw/zinc/59/81/51/643598151.db2.gz VKSJKUNTQVFXKC-HOTGVXAUSA-N 0 3 322.453 2.254 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2)cc1 ZINC000788417088 643606460 /nfs/dbraw/zinc/60/64/60/643606460.db2.gz RDHBDRPKZHBLQR-UHFFFAOYSA-N 0 3 316.382 2.388 20 30 DEEDHN CN(C)[C@@H]1CCCC(N=Nc2ccccc2S(C)(=O)=O)C1 ZINC000788429872 643607796 /nfs/dbraw/zinc/60/77/96/643607796.db2.gz PEUXWDNGNILHPE-CYBMUJFWSA-N 0 3 309.435 2.362 20 30 DEEDHN COC(=O)CCN1CCC(N=Nc2ccccc2[N+](=O)[O-])CC1 ZINC000788699505 643636978 /nfs/dbraw/zinc/63/69/78/643636978.db2.gz WTUFQWSXMKBQBH-UHFFFAOYSA-N 0 3 320.349 2.022 20 30 DEEDHN C[C@@H](CC(C)(C)C#N)NCCS(=O)(=O)NCc1ccccc1 ZINC000924801255 643732642 /nfs/dbraw/zinc/73/26/42/643732642.db2.gz CYMDHVSJFSZASB-AWEZNQCLSA-N 0 3 323.462 2.024 20 30 DEEDHN COc1cccc(/C=N/[C@@H]2CCCN3CCSC[C@H]23)c1O ZINC000905002362 643760525 /nfs/dbraw/zinc/76/05/25/643760525.db2.gz HOKDLZUJAHHSIP-DPOBWDHUSA-N 0 3 306.431 2.400 20 30 DEEDHN COc1cccc(O)c1/C=N/[C@@H]1CCCN2CCSC[C@@H]12 ZINC000905003635 643761375 /nfs/dbraw/zinc/76/13/75/643761375.db2.gz VFNRYQLWWAEHJJ-QEIRAGPASA-N 0 3 306.431 2.400 20 30 DEEDHN CC1/C(=C\c2cc(F)c(N(C)C)cc2F)C(=O)c2ncnn21 ZINC000905086107 643779810 /nfs/dbraw/zinc/77/98/10/643779810.db2.gz RDWRVDLZDYQVLB-JVVDXDAESA-N 0 3 304.300 2.463 20 30 DEEDHN C=CCOc1ccccc1CNC[C@@H](O)CC1(O)CCCC1 ZINC000905103151 643790114 /nfs/dbraw/zinc/79/01/14/643790114.db2.gz JNFUQKRBONPCIH-INIZCTEOSA-N 0 3 305.418 2.397 20 30 DEEDHN C#CCOc1ccccc1CNC[C@@H](O)CC1(O)CCCCC1 ZINC000905116644 643795150 /nfs/dbraw/zinc/79/51/50/643795150.db2.gz HXSPAEJOHZUZPA-KRWDZBQOSA-N 0 3 317.429 2.234 20 30 DEEDHN C=CCNC(=S)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000790344726 643842187 /nfs/dbraw/zinc/84/21/87/643842187.db2.gz UTRMQCFLRMAVMV-UHFFFAOYSA-N 0 3 307.463 2.119 20 30 DEEDHN Cc1cccnc1[C@@H](NC[C@H](O)CN(C)CCC#N)C(C)(C)C ZINC000905670952 643998970 /nfs/dbraw/zinc/99/89/70/643998970.db2.gz MOIBCCWXBJSSNJ-DOTOQJQBSA-N 0 3 318.465 2.273 20 30 DEEDHN N#Cc1ccc([C@@H](NCC[C@@H]2CCCC2(F)F)C(N)=O)cc1 ZINC000905782010 644032607 /nfs/dbraw/zinc/03/26/07/644032607.db2.gz OYTSBRBWHCWSDR-UONOGXRCSA-N 0 3 307.344 2.500 20 30 DEEDHN N#CC(C(=O)CC1OCCCO1)C(=O)Nc1ccccc1Cl ZINC000793122357 644193246 /nfs/dbraw/zinc/19/32/46/644193246.db2.gz AWTMGPAZXLHXSS-JTQLQIEISA-N 0 3 322.748 2.140 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(-c2ccn(C)n2)nn1 ZINC000906315257 644207984 /nfs/dbraw/zinc/20/79/84/644207984.db2.gz XIDDVBJCHKUPLT-ZFWWWQNUSA-N 0 3 300.410 2.225 20 30 DEEDHN C#CCN(C(=O)c1c(C)noc1C(F)F)C1CCN(C)CC1 ZINC000906451210 644253546 /nfs/dbraw/zinc/25/35/46/644253546.db2.gz BFKBGHSJPIWFLB-UHFFFAOYSA-N 0 3 311.332 2.090 20 30 DEEDHN CN(C(=O)[C@]1(C#N)CC2CCC1CC2)[C@H]1CCN(C2CC2)C1 ZINC000906652893 644309334 /nfs/dbraw/zinc/30/93/34/644309334.db2.gz IKTWMPQTEUXODN-WINAAZSOSA-N 0 3 301.434 2.402 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CCCCC1 ZINC000794794594 644476814 /nfs/dbraw/zinc/47/68/14/644476814.db2.gz KGUIIASKBRTRLV-SFHVURJKSA-N 0 3 313.445 2.406 20 30 DEEDHN C=CCOc1ccc(CNC(=S)NC2CCN(C)CC2)cc1 ZINC000795089858 644521087 /nfs/dbraw/zinc/52/10/87/644521087.db2.gz IFGLHNUFQGNWBU-UHFFFAOYSA-N 0 3 319.474 2.310 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cn(CC)nc1-c1ccccc1 ZINC000908435414 644859655 /nfs/dbraw/zinc/85/96/55/644859655.db2.gz GSPQAQFWJHXVIJ-UHFFFAOYSA-N 0 3 324.428 2.255 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000798160537 644975002 /nfs/dbraw/zinc/97/50/02/644975002.db2.gz VNWQJPFUNACSFX-UHFFFAOYSA-N 0 3 319.408 2.241 20 30 DEEDHN Cn1cc2c(n1)CCC[C@H]2C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000798817321 645082532 /nfs/dbraw/zinc/08/25/32/645082532.db2.gz WUGLLUOHUYJBHX-ZIAGYGMSSA-N 0 3 322.368 2.188 20 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ZWKYPFZKNQIPBX-SFHVURJKSA-N 0 3 323.396 2.104 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)COc1cccc(C#N)c1 ZINC000804441393 645771292 /nfs/dbraw/zinc/77/12/92/645771292.db2.gz LXSDAVOJJMVZIG-UHFFFAOYSA-N 0 3 315.417 2.271 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC000911829350 645843225 /nfs/dbraw/zinc/84/32/25/645843225.db2.gz ADJHCYWZCCHGOT-PWHGLLLSSA-N 0 3 312.413 2.144 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000912045251 645926597 /nfs/dbraw/zinc/92/65/97/645926597.db2.gz AMUKPNUISUUZHO-CQSZACIVSA-N 0 3 304.390 2.100 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000912359103 646035460 /nfs/dbraw/zinc/03/54/60/646035460.db2.gz MNRZTEBTIFELSE-CQSZACIVSA-N 0 3 303.406 2.319 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1cccc(OC)c1OC ZINC000912407723 646060646 /nfs/dbraw/zinc/06/06/46/646060646.db2.gz UOQPRUSVIINRHH-AWEZNQCLSA-N 0 3 306.406 2.046 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3nc(C)sc3C)CCC[C@H]12 ZINC000991386602 646087762 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647488452 /nfs/dbraw/zinc/48/84/52/647488452.db2.gz GKIJNKSQGPKOJO-UHFFFAOYSA-N 0 3 324.428 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@H]1C ZINC000993324347 647604615 /nfs/dbraw/zinc/60/46/15/647604615.db2.gz FWEOPVFEFOZMPP-RHSMWYFYSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(Cl)cnn2C)[C@H]1C ZINC000993367153 647629428 /nfs/dbraw/zinc/62/94/28/647629428.db2.gz QCSABLOMSCKQAD-YPMHNXCESA-N 0 3 310.829 2.232 20 30 DEEDHN C#Cc1cccc(CNC[C@H](O)COc2ccc(C(C)=O)cc2)c1 ZINC000819356601 647642006 /nfs/dbraw/zinc/64/20/06/647642006.db2.gz HISMMPRWDGTPCG-IBGZPJMESA-N 0 3 323.392 2.400 20 30 DEEDHN C#Cc1cccc(CNC[C@@H](O)COc2cccc(C(C)=O)c2)c1 ZINC000819357270 647642943 /nfs/dbraw/zinc/64/29/43/647642943.db2.gz OOFDUHKYYINBRD-LJQANCHMSA-N 0 3 323.392 2.400 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@H]1C ZINC000993403013 647650162 /nfs/dbraw/zinc/65/01/62/647650162.db2.gz XUTDDHHJTZDSSQ-CHWSQXEVSA-N 0 3 324.375 2.193 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C3CC3)cnn2C)[C@@H]1C ZINC000993411598 647656787 /nfs/dbraw/zinc/65/67/87/647656787.db2.gz QUKTVCKNKRVTJJ-XJKSGUPXSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@@H]1C ZINC000993509769 647682729 /nfs/dbraw/zinc/68/27/29/647682729.db2.gz ATWNVHGQFFQBJX-DOTOQJQBSA-N 0 3 313.445 2.352 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H]1C ZINC000993559918 647700819 /nfs/dbraw/zinc/70/08/19/647700819.db2.gz VYWNKXYUAJTJDJ-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)[C@@H]1C ZINC000993594063 647711206 /nfs/dbraw/zinc/71/12/06/647711206.db2.gz WBWIZWQAPGRCJY-WMLDXEAASA-N 0 3 324.428 2.477 20 30 DEEDHN Cc1sc2ncnc(N=NC3CCN(CCO)CC3)c2c1C ZINC000819805881 647728994 /nfs/dbraw/zinc/72/89/94/647728994.db2.gz FTCTUWUBHFCNKD-UHFFFAOYSA-N 0 3 319.434 2.164 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2c[nH]c3cnccc23)[C@H]1C ZINC000993718746 647730802 /nfs/dbraw/zinc/73/08/02/647730802.db2.gz 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647806597 /nfs/dbraw/zinc/80/65/97/647806597.db2.gz XKZGGRNKBWKWOG-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN CCCN1CCN(c2ccccc2CN=Nc2ncccn2)CC1 ZINC000915959749 647820822 /nfs/dbraw/zinc/82/08/22/647820822.db2.gz WFTJBOBMHXOSPN-UHFFFAOYSA-N 0 3 324.432 2.455 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ncccc2Cl)[C@@H]1C ZINC000994285421 647902617 /nfs/dbraw/zinc/90/26/17/647902617.db2.gz YEZYYPGCCZAPON-GXTWGEPZSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2OC)[C@H]1C ZINC000994290306 647903381 /nfs/dbraw/zinc/90/33/81/647903381.db2.gz UTINQAVVIIXWGL-ZBFHGGJFSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H]1C ZINC000994294316 647905579 /nfs/dbraw/zinc/90/55/79/647905579.db2.gz FQXWVOIHIDOFDF-MAUKXSAKSA-N 0 3 313.445 2.359 20 30 DEEDHN Cc1cc(OCC(=O)C(C#N)C(=O)Nc2cccc(C)c2)no1 ZINC000916896921 647938121 /nfs/dbraw/zinc/93/81/21/647938121.db2.gz FEKNNZOSWKMQAU-CYBMUJFWSA-N 0 3 313.313 2.018 20 30 DEEDHN N#CC(C(=O)COCC1CC1)C(=O)Nc1ccccc1Cl 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20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(OC)cc2C)C[C@@H]1C ZINC000947347455 648134655 /nfs/dbraw/zinc/13/46/55/648134655.db2.gz FSGKFCYASFVAMZ-DOTOQJQBSA-N 0 3 314.429 2.148 20 30 DEEDHN COc1cc(C(=O)NCCN2CCCC[C@H]2C)ccc1C#N ZINC000822102731 648156748 /nfs/dbraw/zinc/15/67/48/648156748.db2.gz PNYFWSYJXIMZEQ-CYBMUJFWSA-N 0 3 301.390 2.171 20 30 DEEDHN CCCCC(=O)C(C#N)C(=O)NCCc1ccc(OC)cc1 ZINC000155002720 648159807 /nfs/dbraw/zinc/15/98/07/648159807.db2.gz FIGOPRWAKXLMDW-HNNXBMFYSA-N 0 3 302.374 2.253 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCc1ccccc1)CCN(C)C ZINC000822599768 648240632 /nfs/dbraw/zinc/24/06/32/648240632.db2.gz IHIHJEPMESMJCO-MSOLQXFVSA-N 0 3 316.445 2.210 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(OCC)c2)C[C@H]1C ZINC000948070157 648329511 /nfs/dbraw/zinc/32/95/11/648329511.db2.gz MVNSMVSIYMMVCP-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN COc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000175110620 648332964 /nfs/dbraw/zinc/33/29/64/648332964.db2.gz 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CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCOCC2)C(C)(C)C1 ZINC000940713685 648931470 /nfs/dbraw/zinc/93/14/70/648931470.db2.gz ZXIMNTWEMLITEM-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000940747709 648933772 /nfs/dbraw/zinc/93/37/72/648933772.db2.gz MVDOTMOITRFECH-BBRMVZONSA-N 0 3 316.449 2.232 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C(C)(C)C1 ZINC000940824214 648950058 /nfs/dbraw/zinc/95/00/58/648950058.db2.gz QLHITTIECSAUFP-MRXNPFEDSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1(c2cccc(F)c2)CCC1 ZINC000827115343 648974005 /nfs/dbraw/zinc/97/40/05/648974005.db2.gz ZKWAGEFXYCKMHD-UHFFFAOYSA-N 0 3 317.408 2.459 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000940985786 648982775 /nfs/dbraw/zinc/98/27/75/648982775.db2.gz CWLYOLANAMEQAO-KRWDZBQOSA-N 0 3 324.428 2.417 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c(=O)cc2C)C(C)(C)C1 ZINC000941028048 648988562 /nfs/dbraw/zinc/98/85/62/648988562.db2.gz 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/nfs/dbraw/zinc/11/03/28/649110328.db2.gz WULRXGGKSWQQGV-XJKSGUPXSA-N 0 3 324.384 2.187 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C[C@@H]1C ZINC000947899020 649123538 /nfs/dbraw/zinc/12/35/38/649123538.db2.gz CSNOCYRQQABIHM-HOCLYGCPSA-N 0 3 313.445 2.500 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000942071719 649148978 /nfs/dbraw/zinc/14/89/78/649148978.db2.gz GFMJAPKTFGEJTL-WBVHZDCISA-N 0 3 314.429 2.385 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)[C@H](C)C1 ZINC000942086145 649153376 /nfs/dbraw/zinc/15/33/76/649153376.db2.gz HNVZUCRZDHXJLH-CVEARBPZSA-N 0 3 316.449 2.003 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3cccnc3s2)[C@@H](C)C1 ZINC000942134869 649167233 /nfs/dbraw/zinc/16/72/33/649167233.db2.gz QKUUEMZSMQRREI-NWDGAFQWSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc(CCC)c2)[C@H](C)C1 ZINC000942146795 649167614 /nfs/dbraw/zinc/16/76/14/649167614.db2.gz AMOVRBFONCLJLG-QAPCUYQASA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000942175815 649175406 /nfs/dbraw/zinc/17/54/06/649175406.db2.gz KPCVCNKWVHUICL-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)c2cccnc2)[C@@H](C)C1 ZINC000942204827 649183673 /nfs/dbraw/zinc/18/36/73/649183673.db2.gz OIKORMMZAOOJPC-RDJZCZTQSA-N 0 3 313.445 2.209 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H](C)C1 ZINC000942205432 649183796 /nfs/dbraw/zinc/18/37/96/649183796.db2.gz SKWUMSZOOMVBLN-HOCLYGCPSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000948421086 649183856 /nfs/dbraw/zinc/18/38/56/649183856.db2.gz IXSGUKRYSYNIGN-OAHLLOKOSA-N 0 3 316.449 2.198 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2COC)[C@@H](C)C1 ZINC000942220923 649187339 /nfs/dbraw/zinc/18/73/39/649187339.db2.gz YQGVJEMMJXSYNS-MAUKXSAKSA-N 0 3 314.429 2.297 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)[C@H](C)C1 ZINC000942270703 649194034 /nfs/dbraw/zinc/19/40/34/649194034.db2.gz FSZSGDYUXDEXAV-NXEZZACHSA-N 0 3 317.311 2.320 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000942270705 649194043 /nfs/dbraw/zinc/19/40/43/649194043.db2.gz FSZSGDYUXDEXAV-VHSXEESVSA-N 0 3 317.311 2.320 20 30 DEEDHN C#C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)[C@@H]1CCCO1 ZINC000828851304 649233234 /nfs/dbraw/zinc/23/32/34/649233234.db2.gz CLVDELAPTIZIGF-ULQDDVLXSA-N 0 3 304.434 2.081 20 30 DEEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)c1cnco1 ZINC000942540954 649239845 /nfs/dbraw/zinc/23/98/45/649239845.db2.gz SMBHPMVHGBZAOK-BBRMVZONSA-N 0 3 324.384 2.187 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2OC)[C@H](C)C1 ZINC000942545055 649242193 /nfs/dbraw/zinc/24/21/93/649242193.db2.gz JIVDBZFNLXCPGW-IUODEOHRSA-N 0 3 306.381 2.461 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC000942547579 649242547 /nfs/dbraw/zinc/24/25/47/649242547.db2.gz MTRDTPPNAJAYED-YOEHRIQHSA-N 0 3 310.397 2.435 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000942602063 649259001 /nfs/dbraw/zinc/25/90/01/649259001.db2.gz CNGSEFKFHJIVOY-BLLLJJGKSA-N 0 3 322.811 2.481 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2conc2C2CC2)[C@H](C)C1 ZINC000942722091 649279789 /nfs/dbraw/zinc/27/97/89/649279789.db2.gz MFUAUMQSENQFTP-DOMZBBRYSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@H](C)C1 ZINC000942821359 649289688 /nfs/dbraw/zinc/28/96/88/649289688.db2.gz DTBXYKHYQBVHHR-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2F)[C@H](C)C1 ZINC000942980700 649309457 /nfs/dbraw/zinc/30/94/57/649309457.db2.gz XENYEUIOVCPPJK-DOMZBBRYSA-N 0 3 322.811 2.481 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000829769291 649353003 /nfs/dbraw/zinc/35/30/03/649353003.db2.gz SBLTXRNSSWHZNX-CQSZACIVSA-N 0 3 302.443 2.368 20 30 DEEDHN C#CC[C@H]1CCCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000829774834 649353704 /nfs/dbraw/zinc/35/37/04/649353704.db2.gz 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ZINC000944890726 649581251 /nfs/dbraw/zinc/58/12/51/649581251.db2.gz NVLNYBVBUQPTPG-GXTWGEPZSA-N 0 3 303.406 2.009 20 30 DEEDHN CC(C)C#CC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000831429787 649591286 /nfs/dbraw/zinc/59/12/86/649591286.db2.gz RZXBWJFNNDNSKO-UHFFFAOYSA-N 0 3 300.402 2.241 20 30 DEEDHN C=C[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC ZINC000834620814 649823052 /nfs/dbraw/zinc/82/30/52/649823052.db2.gz XKXCIBVFKLTIJR-AVGNSLFASA-N 0 3 312.410 2.092 20 30 DEEDHN COCCN1CCN(Cc2ccc(F)cc2C#N)C(C)(C)C1 ZINC000844431904 651127977 /nfs/dbraw/zinc/12/79/77/651127977.db2.gz OVCOPIZPCZJBRR-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN COC(=O)Cc1ccc(N=NC2C[C@H](C)N(C3CC3)C2)cc1 ZINC000844605891 651147604 /nfs/dbraw/zinc/14/76/04/651147604.db2.gz LAWGBFHEYKANSU-LBPRGKRZSA-N 0 3 301.390 2.427 20 30 DEEDHN C#CCO[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883489 651292183 /nfs/dbraw/zinc/29/21/83/651292183.db2.gz TYMDFXRBTPTSJR-JTNHKYCSSA-N 0 3 309.293 2.114 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1snc(Cl)c1Cl ZINC000846228038 651316724 /nfs/dbraw/zinc/31/67/24/651316724.db2.gz IWPXZZLDAFLFOJ-UHFFFAOYSA-N 0 3 306.218 2.135 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1coc(C#N)c1 ZINC000867429914 651338103 /nfs/dbraw/zinc/33/81/03/651338103.db2.gz KSBFOAFCOWQYST-CXAGYDPISA-N 0 3 309.369 2.402 20 30 DEEDHN Cc1ncc(CO)c(/C=N/[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[O-] ZINC000846756503 651349312 /nfs/dbraw/zinc/34/93/12/651349312.db2.gz JBTILBKQVKMLOH-YCRUDBJHSA-N 0 3 303.406 2.024 20 30 DEEDHN Cc1ncc(CO)c(/C=N/[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[O-] ZINC000846756503 651349314 /nfs/dbraw/zinc/34/93/14/651349314.db2.gz JBTILBKQVKMLOH-YCRUDBJHSA-N 0 3 303.406 2.024 20 30 DEEDHN N#CC(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)C(=O)NC1CC1 ZINC000847624169 651406056 /nfs/dbraw/zinc/40/60/56/651406056.db2.gz LEMZDQCNHHQOSQ-HIFRSBDPSA-N 0 3 318.760 2.289 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000848426595 651458446 /nfs/dbraw/zinc/45/84/46/651458446.db2.gz JWTIXAVWXCJDDL-JKSUJKDBSA-N 0 3 315.417 2.028 20 30 DEEDHN N#Cc1c(NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1-n1cccn1 ZINC000848659697 651484966 /nfs/dbraw/zinc/48/49/66/651484966.db2.gz PVVWGTSICYJRMO-HUUCEWRRSA-N 0 3 323.400 2.019 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)NCC1CC1 ZINC000849254480 651628562 /nfs/dbraw/zinc/62/85/62/651628562.db2.gz CULKECQLHOIMKU-UHFFFAOYSA-N 0 3 316.474 2.206 20 30 DEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C#CC(C)(C)C ZINC000856412489 651923541 /nfs/dbraw/zinc/92/35/41/651923541.db2.gz ODGXCCJHYZIIOI-HNNXBMFYSA-N 0 3 306.450 2.138 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](NCC[S@@](=O)CC(F)(F)F)CC2 ZINC000850495969 651939615 /nfs/dbraw/zinc/93/96/15/651939615.db2.gz LOIROVKSALGOMI-LRTDBIEQSA-N 0 3 316.348 2.446 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cn1cc(C2CC2)cn1 ZINC000850753172 651980534 /nfs/dbraw/zinc/98/05/34/651980534.db2.gz ZATYAMYTJXBXMV-OAHLLOKOSA-N 0 3 316.405 2.166 20 30 DEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000850759852 651982473 /nfs/dbraw/zinc/98/24/73/651982473.db2.gz RRLZLKRXUAGHJO-DNJQJEMRSA-N 0 3 322.723 2.019 20 30 DEEDHN C#CC[C@H](COC)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000858335787 652310622 /nfs/dbraw/zinc/31/06/22/652310622.db2.gz GXJBBJTVSGGARR-CQSZACIVSA-N 0 3 307.390 2.230 20 30 DEEDHN C#CC1CCN([C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000852205818 652363313 /nfs/dbraw/zinc/36/33/13/652363313.db2.gz VFNOUTMFOBOEKT-GOSISDBHSA-N 0 3 312.413 2.141 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCOc2ccccc2[C@H]1C ZINC000852360002 652391745 /nfs/dbraw/zinc/39/17/45/652391745.db2.gz RTLKIIDFWSKVEU-OAHLLOKOSA-N 0 3 315.417 2.107 20 30 DEEDHN C#Cc1cnc(NCC2CCN(Cc3ccncc3)CC2)nc1 ZINC000853811091 652606993 /nfs/dbraw/zinc/60/69/93/652606993.db2.gz SRXBYOBMLYCXNU-UHFFFAOYSA-N 0 3 307.401 2.177 20 30 DEEDHN C[C@@H](CCNC(=O)C(C)(C)F)NCc1cc(C#N)ccc1F ZINC001371693859 1155929483 /nfs/dbraw/zinc/92/94/83/1155929483.db2.gz AKMRTZPHNYSREQ-NSHDSACASA-N 0 3 309.360 2.430 20 30 DEEDHN CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(CCc2scnc2C)C1 ZINC001391641502 1156630051 /nfs/dbraw/zinc/63/00/51/1156630051.db2.gz WUBAGVBXLLQVRF-GXTWGEPZSA-N 0 3 320.462 2.077 20 30 DEEDHN CCCC(=O)NC[C@@H](CC)NCc1cc(C#N)ccc1OC ZINC001373726945 1157315359 /nfs/dbraw/zinc/31/53/59/1157315359.db2.gz XFVDGNBOXPOELO-OAHLLOKOSA-N 0 3 303.406 2.351 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2snnc2C)CCCC1 ZINC001374148377 1157665595 /nfs/dbraw/zinc/66/55/95/1157665595.db2.gz XPSYTKZKSKGUBU-UHFFFAOYSA-N 0 3 314.842 2.231 20 30 DEEDHN CC(C)Oc1ccc([C@H](CNC(=O)NCCC#N)N(C)C)cc1 ZINC000355640571 685355445 /nfs/dbraw/zinc/35/54/45/685355445.db2.gz MFXUMWSCVRZCLU-INIZCTEOSA-N 0 3 318.421 2.289 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCN1CCCCC1 ZINC000858985801 685630746 /nfs/dbraw/zinc/63/07/46/685630746.db2.gz QEYNUMMHYOWDRN-CQSZACIVSA-N 0 3 302.374 2.355 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001356740544 1152125776 /nfs/dbraw/zinc/12/57/76/1152125776.db2.gz NKNLTKPLVFDZME-JYJNAYRXSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](SCc1ccccc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000129522319 684180044 /nfs/dbraw/zinc/18/00/44/684180044.db2.gz FQCNGRITCFXBDA-SMDDNHRTSA-N 0 3 302.399 2.296 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1cnn(C)c1C ZINC000136409166 684239855 /nfs/dbraw/zinc/23/98/55/684239855.db2.gz QUZNFTWPPZKIPH-HNNXBMFYSA-N 0 3 318.421 2.067 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001054130537 693857383 /nfs/dbraw/zinc/85/73/83/693857383.db2.gz RYCGTYYDFKISEB-HXUWFJFHSA-N 0 3 323.440 2.310 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c(C)onc1CC)C2 ZINC001054238445 693894588 /nfs/dbraw/zinc/89/45/88/693894588.db2.gz UVVNTXIBXCOBSI-SFHVURJKSA-N 0 3 315.417 2.107 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1 ZINC000193369389 685038805 /nfs/dbraw/zinc/03/88/05/685038805.db2.gz ASZXPQHCKUEYRU-HIFRSBDPSA-N 0 3 302.374 2.469 20 30 DEEDHN N#CC(C(=O)COCC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000193403122 685040225 /nfs/dbraw/zinc/04/02/25/685040225.db2.gz ZKZOCRPLODUHKS-ZDUSSCGKSA-N 0 3 306.749 2.414 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NCc1ccc(C#N)s1 ZINC001054315067 693926027 /nfs/dbraw/zinc/92/60/27/693926027.db2.gz CMMXTBLWIUVTFP-ZWNOBZJWSA-N 0 3 309.410 2.304 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000246580769 685132666 /nfs/dbraw/zinc/13/26/66/685132666.db2.gz OGGYDKHMLOAQGR-RTXFEEFZSA-N 0 3 304.296 2.056 20 30 DEEDHN Cc1cccc2c1CCN(C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000859120515 685659704 /nfs/dbraw/zinc/65/97/04/685659704.db2.gz XZBUATQEDMUIHM-KRWDZBQOSA-N 0 3 314.429 2.425 20 30 DEEDHN CC(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001054400529 693961731 /nfs/dbraw/zinc/96/17/31/693961731.db2.gz YDEXJIKUDKZSDF-WBMJQRKESA-N 0 3 303.381 2.290 20 30 DEEDHN CC1(C)[C@@H](c2ccc(F)cc2)CCN1CC(=O)NCCC#N ZINC000859804628 685826895 /nfs/dbraw/zinc/82/68/95/685826895.db2.gz RGDDIOZGOMTZEZ-OAHLLOKOSA-N 0 3 303.381 2.423 20 30 DEEDHN N#Cc1ccc(CC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000860251752 685905160 /nfs/dbraw/zinc/90/51/60/685905160.db2.gz VCGAAULHQCHBIF-GOSISDBHSA-N 0 3 321.380 2.313 20 30 DEEDHN CCO[C@@H](C(=O)C(C#N)C(=O)NCc1cccc(C)c1)C1CC1 ZINC000860692622 685951849 /nfs/dbraw/zinc/95/18/49/685951849.db2.gz PISQJOKOGLAIOQ-NVXWUHKLSA-N 0 3 314.385 2.135 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)C12CC(C1)C2 ZINC000860692681 685951938 /nfs/dbraw/zinc/95/19/38/685951938.db2.gz RNKISWOIZIEYPG-FTMAYTQWSA-N 0 3 304.296 2.090 20 30 DEEDHN COCCN(CCC(=O)OC)Cc1c(C)cc(C#N)cc1C ZINC000929638380 693994228 /nfs/dbraw/zinc/99/42/28/693994228.db2.gz XTRFFBYXCZZYEF-UHFFFAOYSA-N 0 3 304.390 2.187 20 30 DEEDHN COC1(CN2CCN(c3ccc(C#N)nc3)CC2)CCCC1 ZINC000862422401 686298605 /nfs/dbraw/zinc/29/86/05/686298605.db2.gz YXLIDZHXTQBMSA-UHFFFAOYSA-N 0 3 300.406 2.034 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C2CCC(C)([NH+](C)C)CC2)c1[O-] ZINC000864347496 686693752 /nfs/dbraw/zinc/69/37/52/686693752.db2.gz RRZALWSTNAETQK-GRSHGNNSSA-N 0 3 305.422 2.270 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)[C@]2(C#N)CCCOC2)N(C)C)cc1 ZINC000865030018 686918864 /nfs/dbraw/zinc/91/88/64/686918864.db2.gz XLQWPAYFIRLMNP-WMZOPIPTSA-N 0 3 315.417 2.034 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000865193689 686964402 /nfs/dbraw/zinc/96/44/02/686964402.db2.gz NNCZQROUXMSFLF-ACJLOTCBSA-N 0 3 322.449 2.121 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(CC3CCCC3)c2)CC1 ZINC000865194531 686964429 /nfs/dbraw/zinc/96/44/29/686964429.db2.gz XXEBFTXISIAYOK-UHFFFAOYSA-N 0 3 316.449 2.454 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001015866930 687444904 /nfs/dbraw/zinc/44/49/04/687444904.db2.gz WNCVRSVVTJDFLQ-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001015929801 687468450 /nfs/dbraw/zinc/46/84/50/687468450.db2.gz CAVBKWZZAFFHFE-AWEZNQCLSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(CC[C@@H](C)F)C1 ZINC001015969521 687485016 /nfs/dbraw/zinc/48/50/16/687485016.db2.gz VQPYPWHDAFOXGZ-KGLIPLIRSA-N 0 3 321.396 2.199 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)nc1 ZINC001016021712 687502429 /nfs/dbraw/zinc/50/24/29/687502429.db2.gz ZNJJWSIKUZHAJZ-GOSISDBHSA-N 0 3 319.408 2.110 20 30 DEEDHN CN(CCN1CC2(C1)CCOCC2)c1ccc(F)cc1C#N ZINC000866256202 687509652 /nfs/dbraw/zinc/50/96/52/687509652.db2.gz LLJJBDFUDQIRHI-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cnc(OC)c(Cl)c2)C1 ZINC001016322520 687591366 /nfs/dbraw/zinc/59/13/66/687591366.db2.gz IOOZJBLWJTXLIL-GFCCVEGCSA-N 0 3 309.797 2.124 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001016331034 687594870 /nfs/dbraw/zinc/59/48/70/687594870.db2.gz IVGGAFVDPJMLTA-MRXNPFEDSA-N 0 3 312.413 2.303 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016338227 687594912 /nfs/dbraw/zinc/59/49/12/687594912.db2.gz JQQHYBAEGDIRNT-HNNXBMFYSA-N 0 3 321.852 2.305 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CN(CC)CC)o2)C1 ZINC001016383557 687607588 /nfs/dbraw/zinc/60/75/88/687607588.db2.gz JNEAQXQMDGQDLF-AWEZNQCLSA-N 0 3 305.422 2.112 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001016406325 687613089 /nfs/dbraw/zinc/61/30/89/687613089.db2.gz PDFCLTBBCIHFHA-QGZVFWFLSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2OC)C1 ZINC001016411533 687615638 /nfs/dbraw/zinc/61/56/38/687615638.db2.gz KTEBQCOGPHVFAQ-OAHLLOKOSA-N 0 3 314.429 2.187 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001016425900 687618723 /nfs/dbraw/zinc/61/87/23/687618723.db2.gz BPUJQUWMPZVAIO-AWEZNQCLSA-N 0 3 312.413 2.184 20 30 DEEDHN CC[C@H](F)CN1CCC2(C[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016561999 687653061 /nfs/dbraw/zinc/65/30/61/687653061.db2.gz JGDRINHDVANFAT-DZGCQCFKSA-N 0 3 318.396 2.219 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2sccc2F)CC1 ZINC001016612246 687664700 /nfs/dbraw/zinc/66/47/00/687664700.db2.gz JFOYALNIVAVLPJ-CYBMUJFWSA-N 0 3 306.406 2.495 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C)c(F)c2)CC1 ZINC001016715603 687688977 /nfs/dbraw/zinc/68/89/77/687688977.db2.gz NRBYTAJQROUGPC-INIZCTEOSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)ccc2OC)CC1 ZINC001016717468 687689458 /nfs/dbraw/zinc/68/94/58/687689458.db2.gz UGURKKNXKAZWJK-KRWDZBQOSA-N 0 3 312.413 2.221 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001016798004 687705357 /nfs/dbraw/zinc/70/53/57/687705357.db2.gz ISDSWOZWJUOPNY-SJORKVTESA-N 0 3 323.440 2.105 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(OC)cc2C)CC1 ZINC001016803646 687706435 /nfs/dbraw/zinc/70/64/35/687706435.db2.gz ROGCIFQTUCDJQQ-KRWDZBQOSA-N 0 3 312.413 2.221 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001016818375 687709815 /nfs/dbraw/zinc/70/98/15/687709815.db2.gz CSTLNEFINIRXFZ-ZFWWWQNUSA-N 0 3 302.443 2.456 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccn(C)c2CC)CC1 ZINC001016825661 687710938 /nfs/dbraw/zinc/71/09/38/687710938.db2.gz JXHMDLAAWQUFAL-QGZVFWFLSA-N 0 3 313.445 2.195 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ncsc2C2CC2)CC1 ZINC001016829143 687711986 /nfs/dbraw/zinc/71/19/86/687711986.db2.gz JVLZUDPSSCVTJR-ZDUSSCGKSA-N 0 3 315.442 2.238 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3cc[nH]c32)CC1 ZINC001016833344 687712966 /nfs/dbraw/zinc/71/29/66/687712966.db2.gz QOXKXHKRFUDSBA-INIZCTEOSA-N 0 3 307.397 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)c(F)c2F)CC1 ZINC001016840020 687714426 /nfs/dbraw/zinc/71/44/26/687714426.db2.gz KPLLKCWJGODYTF-CQSZACIVSA-N 0 3 318.367 2.491 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc(C3CC3)no2)CC1 ZINC001016854367 687720033 /nfs/dbraw/zinc/72/00/33/687720033.db2.gz VXBLEJQQCYVVKK-MRXNPFEDSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc3nc(C)ccc3o2)CC1 ZINC001016939115 687738396 /nfs/dbraw/zinc/73/83/96/687738396.db2.gz PUWIIMWFQQKAAN-KRWDZBQOSA-N 0 3 323.396 2.354 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cnc(C3CC3)s2)CC1 ZINC001016940739 687739151 /nfs/dbraw/zinc/73/91/51/687739151.db2.gz NHNPTOXGMIFTCD-AWEZNQCLSA-N 0 3 315.442 2.238 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(OC)cc2)CC1 ZINC001016944943 687740098 /nfs/dbraw/zinc/74/00/98/687740098.db2.gz VDOBOVKIAXCKLH-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)Cc2cccc(F)c2)CC1 ZINC001016961797 687744373 /nfs/dbraw/zinc/74/43/73/687744373.db2.gz UIPONOBNMWZNLL-KRWDZBQOSA-N 0 3 314.404 2.362 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOCC1 ZINC001017512645 687905525 /nfs/dbraw/zinc/90/55/25/687905525.db2.gz WNHLNFFSWKNTTQ-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001017747185 687952937 /nfs/dbraw/zinc/95/29/37/687952937.db2.gz OLOROKAGXKKMIW-IECFSIQFSA-N 0 3 318.461 2.443 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000868283644 687968447 /nfs/dbraw/zinc/96/84/47/687968447.db2.gz CIDJPXPEAQVBST-KGLIPLIRSA-N 0 3 309.479 2.031 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC001017864632 687976822 /nfs/dbraw/zinc/97/68/22/687976822.db2.gz LASLZFCBMHIMAW-WCXIOVBPSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCOC1 ZINC001018278765 688100600 /nfs/dbraw/zinc/10/06/00/688100600.db2.gz CUURFZCUFBIHCA-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)c3ccncc3)C2)ccc1F ZINC001018409483 688127949 /nfs/dbraw/zinc/12/79/49/688127949.db2.gz NTSMZBNUPRWBJK-INIZCTEOSA-N 0 3 324.359 2.097 20 30 DEEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C[C@H](O)CC#N ZINC000930482202 694172174 /nfs/dbraw/zinc/17/21/74/694172174.db2.gz LMYYJAIJTGZLAL-UONOGXRCSA-N 0 3 311.426 2.030 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@H](NCc2ccccc2OC2CC2)C1 ZINC001018827847 688241003 /nfs/dbraw/zinc/24/10/03/688241003.db2.gz ZTFHBFQDNUHGMG-KRWDZBQOSA-N 0 3 324.424 2.332 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001018908993 688251834 /nfs/dbraw/zinc/25/18/34/688251834.db2.gz GIRWRXDNZRCTBU-AWEZNQCLSA-N 0 3 322.840 2.254 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC001019452865 688359242 /nfs/dbraw/zinc/35/92/42/688359242.db2.gz SGEIJPYVEMAKPD-HIFRSBDPSA-N 0 3 304.821 2.342 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]23CCO[C@@H]2CCCC3)C1 ZINC001020384149 688511818 /nfs/dbraw/zinc/51/18/18/688511818.db2.gz OACFJKXMYAXVMW-IXYNUQLISA-N 0 3 312.841 2.325 20 30 DEEDHN N#CC(C(=O)c1c(C(F)F)nc2n1CCCC2)c1ccncn1 ZINC000870287848 688531875 /nfs/dbraw/zinc/53/18/75/688531875.db2.gz MCUBXWMIKAQXQI-SECBINFHSA-N 0 3 317.299 2.437 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871149516 688734883 /nfs/dbraw/zinc/73/48/83/688734883.db2.gz DKRPBMIYLLZQNK-AWEZNQCLSA-N 0 3 315.417 2.268 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCCc2cc(OC)c(OC)cc21 ZINC000872057476 688920556 /nfs/dbraw/zinc/92/05/56/688920556.db2.gz FFFAEQWFRNZPKH-HNNXBMFYSA-N 0 3 318.417 2.363 20 30 DEEDHN C[C@H](c1ccccc1)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619212 688965011 /nfs/dbraw/zinc/96/50/11/688965011.db2.gz NWZMQNBQESVHNF-CYBMUJFWSA-N 0 3 308.385 2.309 20 30 DEEDHN Cc1ccc(C)c(CN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001031619142 688965073 /nfs/dbraw/zinc/96/50/73/688965073.db2.gz LMDQCDIXIIGSPJ-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN COC(=O)CCN1CCC(=NNC[C@H]2CCCC2(F)F)CC1 ZINC000872405456 688993917 /nfs/dbraw/zinc/99/39/17/688993917.db2.gz LRFQMHLTCSFWDQ-GFCCVEGCSA-N 0 3 317.380 2.026 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2csc(C(F)(F)F)c2)C1 ZINC001031811185 689001203 /nfs/dbraw/zinc/00/12/03/689001203.db2.gz ZKKJPLWVCVNYDP-UHFFFAOYSA-N 0 3 316.348 2.452 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000930867522 694258318 /nfs/dbraw/zinc/25/83/18/694258318.db2.gz RAXFLLPBYDCGQM-XHDPSFHLSA-N 0 3 314.389 2.171 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC23CC(OCC)C3)CC1 ZINC000872880430 689112105 /nfs/dbraw/zinc/11/21/05/689112105.db2.gz DYSBDOQCKQZFBG-PQUAAJSLSA-N 0 3 321.465 2.284 20 30 DEEDHN CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032363502 689131605 /nfs/dbraw/zinc/13/16/05/689131605.db2.gz KSLISIOVZBLWCG-GJZGRUSLSA-N 0 3 300.406 2.221 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032409736 689142847 /nfs/dbraw/zinc/14/28/47/689142847.db2.gz YCSCMBBNFVWMHJ-NXOAAHMSSA-N 0 3 304.434 2.053 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)nc1 ZINC001032431737 689149189 /nfs/dbraw/zinc/14/91/89/689149189.db2.gz NCBMQYCSDIMXOU-HOTGVXAUSA-N 0 3 315.417 2.345 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C2CC2)c1Cl ZINC001032499556 689168560 /nfs/dbraw/zinc/16/85/60/689168560.db2.gz XVBZSFHAWBAOPK-RYUDHWBXSA-N 0 3 320.824 2.415 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cnccc2c1 ZINC001032521882 689175976 /nfs/dbraw/zinc/17/59/76/689175976.db2.gz LBAUKPBPQXOOFH-IRXDYDNUSA-N 0 3 322.412 2.495 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(OCC)C1 ZINC001032562621 689187049 /nfs/dbraw/zinc/18/70/49/689187049.db2.gz ZKKNDFAATWDDBY-PYBGIAKNSA-N 0 3 306.450 2.299 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1Cl ZINC001032681756 689223740 /nfs/dbraw/zinc/22/37/40/689223740.db2.gz KITZGHVJVQOAOU-STQMWFEESA-N 0 3 323.824 2.430 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001032791060 689262050 /nfs/dbraw/zinc/26/20/50/689262050.db2.gz HUFNSVOMPDNIOP-KCXAZCMYSA-N 0 3 316.449 2.066 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COC1CCC(C)CC1 ZINC001032815428 689270096 /nfs/dbraw/zinc/27/00/96/689270096.db2.gz YQBYMTNZTVJLQY-YZUHTNEWSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001033079186 689378780 /nfs/dbraw/zinc/37/87/80/689378780.db2.gz UHWNQGBNNVATCK-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C3CC3)cnn2C)C1 ZINC001033135006 689401459 /nfs/dbraw/zinc/40/14/59/689401459.db2.gz FYANDTSSPTZJSL-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc3n2CCCCC3)C1 ZINC001033180188 689413921 /nfs/dbraw/zinc/41/39/21/689413921.db2.gz FHCOXOSDFALXSV-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(F)cc(C)cc2F)C1 ZINC001033255827 689440615 /nfs/dbraw/zinc/44/06/15/689440615.db2.gz ZMXVHMUPLFCDQI-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001033274748 689447163 /nfs/dbraw/zinc/44/71/63/689447163.db2.gz ASZYELDPKHZKEU-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cn(CC)nc2C(C)C)C1 ZINC001033477295 689515642 /nfs/dbraw/zinc/51/56/42/689515642.db2.gz YUUSVHFAADAIQE-HNNXBMFYSA-N 0 3 316.449 2.196 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033506202 689523693 /nfs/dbraw/zinc/52/36/93/689523693.db2.gz YVIXJHGZOWYHPG-MRXNPFEDSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001033569171 689546328 /nfs/dbraw/zinc/54/63/28/689546328.db2.gz SIUWHYMIUFLPBC-ZBFHGGJFSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001033601106 689555537 /nfs/dbraw/zinc/55/55/37/689555537.db2.gz JWJXJICWPKSMJG-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(OC)cc2)C1 ZINC001033611195 689558733 /nfs/dbraw/zinc/55/87/33/689558733.db2.gz MZFSVSFQCLYWCN-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CN(CC)CC)o2)C1 ZINC001033699611 689588761 /nfs/dbraw/zinc/58/87/61/689588761.db2.gz ONNIHTNSCVRUPY-OAHLLOKOSA-N 0 3 319.449 2.454 20 30 DEEDHN CCOC(=O)/C=C/CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000931017296 694295723 /nfs/dbraw/zinc/29/57/23/694295723.db2.gz ABEZZCCAYUEZDU-QPJJXVBHSA-N 0 3 314.385 2.273 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC001033870977 689645295 /nfs/dbraw/zinc/64/52/95/689645295.db2.gz GMDVQEVFXKIRSD-OAHLLOKOSA-N 0 3 313.405 2.070 20 30 DEEDHN C#CC[C@H](COC)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000875576406 689652869 /nfs/dbraw/zinc/65/28/69/689652869.db2.gz XACSHAUWEQBHQT-ZNMIVQPWSA-N 0 3 321.421 2.046 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nncc3ccccc32)C1 ZINC001033901567 689656411 /nfs/dbraw/zinc/65/64/11/689656411.db2.gz VOXWKGKLPFMMGQ-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001033913134 689659845 /nfs/dbraw/zinc/65/98/45/689659845.db2.gz PBPFFXFNCGAVSC-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001033953612 689672853 /nfs/dbraw/zinc/67/28/53/689672853.db2.gz OLKZQDCBTZRWDN-WMZOPIPTSA-N 0 3 313.445 2.295 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cn(CC)nc2C)C1 ZINC001033972993 689679090 /nfs/dbraw/zinc/67/90/90/689679090.db2.gz UZYQZSIZFUZJKZ-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnn3ccccc23)C1 ZINC001033988230 689684830 /nfs/dbraw/zinc/68/48/30/689684830.db2.gz ITIVKLWGVHNPIQ-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cn(CCC)nc2C)C1 ZINC001033998147 689687666 /nfs/dbraw/zinc/68/76/66/689687666.db2.gz GSLAGOFJVGMCEB-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001034001788 689688520 /nfs/dbraw/zinc/68/85/20/689688520.db2.gz NHJUMMFJKGTECJ-OAHLLOKOSA-N 0 3 315.417 2.420 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034053182 689706983 /nfs/dbraw/zinc/70/69/83/689706983.db2.gz RZJAEKFOBJPQRE-AWEZNQCLSA-N 0 3 305.447 2.320 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001034227884 689772302 /nfs/dbraw/zinc/77/23/02/689772302.db2.gz OPXAFXRQLSETIP-OAHLLOKOSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001034237912 689775697 /nfs/dbraw/zinc/77/56/97/689775697.db2.gz CYETWSXVFCZOSO-GFCCVEGCSA-N 0 3 322.840 2.233 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001034258073 689784174 /nfs/dbraw/zinc/78/41/74/689784174.db2.gz QOKXZKNOOHFBTG-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001034257805 689784533 /nfs/dbraw/zinc/78/45/33/689784533.db2.gz NAWGFMMCAILNRG-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034267904 689788275 /nfs/dbraw/zinc/78/82/75/689788275.db2.gz ZPGBQRZCLXTBGO-OAHLLOKOSA-N 0 3 304.438 2.083 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1nc2ccccc2s1 ZINC000876563251 689858232 /nfs/dbraw/zinc/85/82/32/689858232.db2.gz BDJRAPXIOWWLOG-JTQLQIEISA-N 0 3 309.822 2.425 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000876577085 689863301 /nfs/dbraw/zinc/86/33/01/689863301.db2.gz QJOHPVGVEVHJTK-LBPRGKRZSA-N 0 3 309.797 2.233 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000876600727 689872133 /nfs/dbraw/zinc/87/21/33/689872133.db2.gz TZZIEAKLRHKSRQ-ZDUSSCGKSA-N 0 3 323.780 2.047 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001034501270 689875882 /nfs/dbraw/zinc/87/58/82/689875882.db2.gz SHBISFYYOUMLIH-IRXDYDNUSA-N 0 3 313.445 2.343 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccccc2OC)C1 ZINC001034521884 689884096 /nfs/dbraw/zinc/88/40/96/689884096.db2.gz RZPMMNLDWGWJJD-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001034527944 689886752 /nfs/dbraw/zinc/88/67/52/689886752.db2.gz NLBMMLLHRXPSBU-OAHLLOKOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001034541416 689891994 /nfs/dbraw/zinc/89/19/94/689891994.db2.gz QFCIKQXYUXUAAC-CYBMUJFWSA-N 0 3 307.463 2.405 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000876660063 689893166 /nfs/dbraw/zinc/89/31/66/689893166.db2.gz MPGLVZLVSWZIFY-LSDHHAIUSA-N 0 3 318.808 2.211 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001034563927 689898399 /nfs/dbraw/zinc/89/83/99/689898399.db2.gz KXWDLJQKUHJRCW-DLBZAZTESA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000876692068 689904198 /nfs/dbraw/zinc/90/41/98/689904198.db2.gz MIYITHHKOJDWNG-RYUDHWBXSA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000876699075 689907223 /nfs/dbraw/zinc/90/72/23/689907223.db2.gz PNRZMNCORHPCRY-DTWKUNHWSA-N 0 3 300.790 2.014 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000876707849 689910897 /nfs/dbraw/zinc/91/08/97/689910897.db2.gz CGYWOIRCXOWFQI-OAHLLOKOSA-N 0 3 321.852 2.422 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCN(CC)c1cccc(C)c1 ZINC000876709699 689911351 /nfs/dbraw/zinc/91/13/51/689911351.db2.gz YITIANRKEADSNV-HNNXBMFYSA-N 0 3 309.841 2.407 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000876730787 689918884 /nfs/dbraw/zinc/91/88/84/689918884.db2.gz MJXUVGMESCMTME-GXTWGEPZSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCNc1ccc2ccccc2n1 ZINC000876734862 689920491 /nfs/dbraw/zinc/92/04/91/689920491.db2.gz ASPBDYQWDRGKNO-ZDUSSCGKSA-N 0 3 318.808 2.233 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000876900016 689967936 /nfs/dbraw/zinc/96/79/36/689967936.db2.gz UBUYXYODOZSOFG-UKPHBRMFSA-N 0 3 324.852 2.202 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000876941001 689978375 /nfs/dbraw/zinc/97/83/75/689978375.db2.gz DSOSLPDWUCTQAI-IHRRRGAJSA-N 0 3 300.830 2.122 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC[C@H](CO)Cc2ccco2)c1 ZINC000877094273 690016951 /nfs/dbraw/zinc/01/69/51/690016951.db2.gz YQSYMWRQRMWRTQ-GFCCVEGCSA-N 0 3 305.765 2.140 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2nccs2)CC1 ZINC000877148329 690030221 /nfs/dbraw/zinc/03/02/21/690030221.db2.gz YANOFLPPXDDKCU-LBPRGKRZSA-N 0 3 313.854 2.394 20 30 DEEDHN CC(C)(C)[C@H](N)C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000877176151 690038097 /nfs/dbraw/zinc/03/80/97/690038097.db2.gz QGBPGJWGXWQADT-MRXNPFEDSA-N 0 3 314.433 2.017 20 30 DEEDHN CC[C@H](C)[C@H](N)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000877216556 690048552 /nfs/dbraw/zinc/04/85/52/690048552.db2.gz WKTQSTKPCVTQIL-LRDDRELGSA-N 0 3 311.389 2.115 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000877271083 690061924 /nfs/dbraw/zinc/06/19/24/690061924.db2.gz MJUVRZUQTBNWBU-HUUCEWRRSA-N 0 3 324.808 2.065 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC001035644536 690141392 /nfs/dbraw/zinc/14/13/92/690141392.db2.gz UPQFNTWAMKMDGW-UHFFFAOYSA-N 0 3 300.377 2.387 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCc1ccco1)CC2 ZINC001035647962 690142164 /nfs/dbraw/zinc/14/21/64/690142164.db2.gz SHOLNUPWJGHSHC-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#C[C@H](NCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000877540642 690146556 /nfs/dbraw/zinc/14/65/56/690146556.db2.gz FOZCCEHFIIKWKF-HNNXBMFYSA-N 0 3 311.834 2.429 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(c3ccccn3)CC1)CC2 ZINC001035705016 690156853 /nfs/dbraw/zinc/15/68/53/690156853.db2.gz PJHREVQIETYUTQ-UHFFFAOYSA-N 0 3 323.440 2.061 20 30 DEEDHN C=CCn1cc(CN[C@H](C)CC[P@](C)(=O)OCC)nn1 ZINC000877598548 690163483 /nfs/dbraw/zinc/16/34/83/690163483.db2.gz OVXWQNKORNOUIL-MPBGBICISA-N 0 3 300.343 2.277 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(Cl)[nH]1)CC2 ZINC001035788560 690176661 /nfs/dbraw/zinc/17/66/61/690176661.db2.gz FAFSKVNVIDBXFI-UHFFFAOYSA-N 0 3 305.809 2.229 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1conc1CC)CC2 ZINC001035790641 690177527 /nfs/dbraw/zinc/17/75/27/690177527.db2.gz FEPMJFAWOCMRPI-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCc1cncs1)CC2 ZINC001035797997 690179109 /nfs/dbraw/zinc/17/91/09/690179109.db2.gz JVOPIFOAIYCIFA-UHFFFAOYSA-N 0 3 317.458 2.023 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC[C@H]1CCCCO1)CC2 ZINC001035807568 690181848 /nfs/dbraw/zinc/18/18/48/690181848.db2.gz JVWVZOOELDLCJU-QGZVFWFLSA-N 0 3 318.461 2.283 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCO[C@H](C)C1)CC2 ZINC001035823557 690185093 /nfs/dbraw/zinc/18/50/93/690185093.db2.gz JXOBGONTUTTXAD-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]1(C)CCCOC1)CC2 ZINC001035824654 690185782 /nfs/dbraw/zinc/18/57/82/690185782.db2.gz NOLJOISRUALSNA-KRWDZBQOSA-N 0 3 306.450 2.304 20 30 DEEDHN CCC(=O)N1CC[C@@H](NCc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001035872002 690199914 /nfs/dbraw/zinc/19/99/14/690199914.db2.gz CIWLXGWPDGDGGX-BLLLJJGKSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1ccccc1C#N ZINC001036021741 690237802 /nfs/dbraw/zinc/23/78/02/690237802.db2.gz KFSKNICKBMEZPP-DNVCBOLYSA-N 0 3 321.424 2.298 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001036139944 690273177 /nfs/dbraw/zinc/27/31/77/690273177.db2.gz BFKMFEQCSKOIRK-CJNGLKHVSA-N 0 3 318.465 2.267 20 30 DEEDHN C=CC[C@@H](C)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000878235939 690353742 /nfs/dbraw/zinc/35/37/42/690353742.db2.gz YEAAJPTUFQCGTD-AQFXKWCLSA-N 0 3 307.482 2.264 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000878241341 690356075 /nfs/dbraw/zinc/35/60/75/690356075.db2.gz FOGDJEXNIADKRB-IXDOHACOSA-N 0 3 307.482 2.264 20 30 DEEDHN C=CC[C@@H](C)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000878395153 690395576 /nfs/dbraw/zinc/39/55/76/690395576.db2.gz WMSRRUADGQUNPA-UKRRQHHQSA-N 0 3 300.468 2.277 20 30 DEEDHN O=C(C(F)F)N1CC[C@@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036611402 690399685 /nfs/dbraw/zinc/39/96/85/690399685.db2.gz CNVXCYYAOFGZKQ-JKSUJKDBSA-N 0 3 318.367 2.226 20 30 DEEDHN N#CCC1(CN2CC[C@H](N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000878431914 690405178 /nfs/dbraw/zinc/40/51/78/690405178.db2.gz SXHPFCSXVGJYSF-AWEZNQCLSA-N 0 3 310.401 2.213 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1 ZINC001036737709 690453339 /nfs/dbraw/zinc/45/33/39/690453339.db2.gz VJRLBRNYDQQSIF-HUUCEWRRSA-N 0 3 305.397 2.180 20 30 DEEDHN CC1(C)OC[C@@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000879024014 690551983 /nfs/dbraw/zinc/55/19/83/690551983.db2.gz TYHGBMVQIRTGNQ-OAHLLOKOSA-N 0 3 301.390 2.284 20 30 DEEDHN N#Cc1ccc(C2CCN(C[C@H](O)c3ccccn3)CC2)nc1 ZINC000879023097 690552030 /nfs/dbraw/zinc/55/20/30/690552030.db2.gz IGJSVAYLNOMFFM-SFHVURJKSA-N 0 3 308.385 2.261 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@@H]2CNCc2cnns2)C1 ZINC001037075537 690565914 /nfs/dbraw/zinc/56/59/14/690565914.db2.gz QZCVWVOIRINJOF-OCCSQVGLSA-N 0 3 320.462 2.269 20 30 DEEDHN CC[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1cscn1 ZINC001037851010 690623088 /nfs/dbraw/zinc/62/30/88/690623088.db2.gz VCDIOMRHEILHBA-GOEBONIOSA-N 0 3 317.458 2.273 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@H](CC)C1 ZINC001037905332 690637566 /nfs/dbraw/zinc/63/75/66/690637566.db2.gz NFEBBSQFVBSTRJ-GDBMZVCRSA-N 0 3 318.465 2.349 20 30 DEEDHN COC(=O)c1cccc(CN(C)CCc2cccc(C#N)c2)n1 ZINC000879433148 690640046 /nfs/dbraw/zinc/64/00/46/690640046.db2.gz PUQRCLHACQNKJB-UHFFFAOYSA-N 0 3 309.369 2.414 20 30 DEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cc2cnccc2o1 ZINC000879713738 690713701 /nfs/dbraw/zinc/71/37/01/690713701.db2.gz CAEJQACHDSJFDF-GFCCVEGCSA-N 0 3 300.362 2.241 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncnc2sccc21 ZINC001038271048 690763467 /nfs/dbraw/zinc/76/34/67/690763467.db2.gz AJXYUNHXHBTIOU-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038327961 690782958 /nfs/dbraw/zinc/78/29/58/690782958.db2.gz KXGGWEVFQSEADQ-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880026890 690784075 /nfs/dbraw/zinc/78/40/75/690784075.db2.gz MMGRQOJKTPXHJM-CPUCHLNUSA-N 0 3 323.437 2.104 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CCC(=O)OC)C1 ZINC000880038572 690788730 /nfs/dbraw/zinc/78/87/30/690788730.db2.gz ZDUKITYDLCEOSP-HNNXBMFYSA-N 0 3 310.438 2.076 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038351605 690791473 /nfs/dbraw/zinc/79/14/73/690791473.db2.gz WRFLUUALQGHCPK-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCC[C@@H](O)CN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080598 690799493 /nfs/dbraw/zinc/79/94/93/690799493.db2.gz YKBJGLATHRLYAI-HZPDHXFCSA-N 0 3 304.390 2.271 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038421490 690816662 /nfs/dbraw/zinc/81/66/62/690816662.db2.gz HFXTWNWZFCZVBR-CQSZACIVSA-N 0 3 302.422 2.118 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038470588 690832179 /nfs/dbraw/zinc/83/21/79/690832179.db2.gz AOKVCUMXMOQNEF-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c[nH]c(Br)c1 ZINC001038528587 690852955 /nfs/dbraw/zinc/85/29/55/690852955.db2.gz FPSNITRHULTYGL-LLVKDONJSA-N 0 3 312.211 2.157 20 30 DEEDHN C#CCOCCN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880222366 690842405 /nfs/dbraw/zinc/84/24/05/690842405.db2.gz OHHOWNWMDSYTNZ-GASCZTMLSA-N 0 3 324.218 2.039 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001038509136 690844158 /nfs/dbraw/zinc/84/41/58/690844158.db2.gz SLRFKGXRIVLMJG-YESZJQIVSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001038575433 690864475 /nfs/dbraw/zinc/86/44/75/690864475.db2.gz ONKQXUDZFUAAMM-OAHLLOKOSA-N 0 3 310.401 2.457 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2Cc3c[nH]nc3[C@@H](C)C2)cc1 ZINC000931467187 694404193 /nfs/dbraw/zinc/40/41/93/694404193.db2.gz NECFZWRYNOLQJC-ZDUSSCGKSA-N 0 3 308.385 2.339 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001038713519 690903289 /nfs/dbraw/zinc/90/32/89/690903289.db2.gz BUZYEQMELXFAOR-OAGGEKHMSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@H]2CCN2CCC(C)(C)C)nn1 ZINC001038788720 690926453 /nfs/dbraw/zinc/92/64/53/690926453.db2.gz AVQSWXLDZKWVSY-CQSZACIVSA-N 0 3 319.453 2.095 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000931477876 694408294 /nfs/dbraw/zinc/40/82/94/694408294.db2.gz GAGOHZBWRCEVNW-MEBBXXQBSA-N 0 3 302.353 2.302 20 30 DEEDHN CC#CCN1CC[C@@H](C2CCN(C(=O)C(=O)C(C)(C)C)CC2)C1 ZINC001039113255 691022316 /nfs/dbraw/zinc/02/23/16/691022316.db2.gz ATTQCGDOKHYDLA-MRXNPFEDSA-N 0 3 318.461 2.185 20 30 DEEDHN CC#CCN1CC[C@H](C2CCN(C(=O)C(=O)C(C)(C)C)CC2)C1 ZINC001039113254 691022478 /nfs/dbraw/zinc/02/24/78/691022478.db2.gz ATTQCGDOKHYDLA-INIZCTEOSA-N 0 3 318.461 2.185 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C)n2C)C1 ZINC001039187316 691043484 /nfs/dbraw/zinc/04/34/84/691043484.db2.gz RNTQFPZQTFVDBG-SJORKVTESA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(F)cn2)C1 ZINC001039197603 691049530 /nfs/dbraw/zinc/04/95/30/691049530.db2.gz AAXYXQZOXNJXAB-YOEHRIQHSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2oncc2C)C1 ZINC001039256939 691071188 /nfs/dbraw/zinc/07/11/88/691071188.db2.gz OWZPXUIXWPKSDH-JKSUJKDBSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccn2)CC1 ZINC001039375218 691091460 /nfs/dbraw/zinc/09/14/60/691091460.db2.gz UJNMVKIGXMWDSU-SJORKVTESA-N 0 3 323.440 2.202 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C(C)C ZINC001039446238 691107715 /nfs/dbraw/zinc/10/77/15/691107715.db2.gz ZJIITJPKWZOOHQ-CVEARBPZSA-N 0 3 316.449 2.258 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(C)C)n1 ZINC001039446841 691107735 /nfs/dbraw/zinc/10/77/35/691107735.db2.gz URTRRLSIUJUSPW-CVEARBPZSA-N 0 3 314.433 2.166 20 30 DEEDHN 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/nfs/dbraw/zinc/68/56/12/691685612.db2.gz CUAJLPKAQBKRKR-IRDPIATMSA-N 0 3 318.446 2.022 20 30 DEEDHN CC[C@@](C)(NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1nccs1 ZINC000884225365 691686582 /nfs/dbraw/zinc/68/65/82/691686582.db2.gz PQLMQUZLCRZCTK-KOXVPCQNSA-N 0 3 318.446 2.024 20 30 DEEDHN CCC(=O)c1cccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884306398 691705685 /nfs/dbraw/zinc/70/56/85/691705685.db2.gz DIIJMZDYTFVJBT-TXKKKEFDSA-N 0 3 311.385 2.357 20 30 DEEDHN C[C@@H]1CC[C@@]2(CCN(C(=O)C3CC4(C3)CNC[C@@H]4C#N)C2)C1 ZINC000884331931 691712251 /nfs/dbraw/zinc/71/22/51/691712251.db2.gz ASOVYMQVYOZRMT-SBJSHQNQSA-N 0 3 301.434 2.164 20 30 DEEDHN Cc1ccc([C@@H]2C[C@H]2NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884375378 691722620 /nfs/dbraw/zinc/72/26/20/691722620.db2.gz XFXGLFLIDXABBA-MYTOGIIISA-N 0 3 309.413 2.107 20 30 DEEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(C#N)c1 ZINC000884399974 691729773 /nfs/dbraw/zinc/72/97/73/691729773.db2.gz STMQFTPZIMTQKQ-RCDNUKIMSA-N 0 3 322.412 2.049 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccccc2C#N)CCN1C(=O)c1cn[nH]c1 ZINC001044486809 691840463 /nfs/dbraw/zinc/84/04/63/691840463.db2.gz RPPJTZJCRRQWNO-GUYCJALGSA-N 0 3 323.400 2.064 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccccc2C#N)CCN1C(=O)c1ncc[nH]1 ZINC001044590900 691855005 /nfs/dbraw/zinc/85/50/05/691855005.db2.gz DKZONJSKSJNOEL-BBRMVZONSA-N 0 3 323.400 2.064 20 30 DEEDHN CS[C@@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001044937997 691916096 /nfs/dbraw/zinc/91/60/96/691916096.db2.gz IFVYGTKDQRCGBF-RYUDHWBXSA-N 0 3 323.487 2.452 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2c(F)cc(C)cc2F)CC1 ZINC000885789878 691941213 /nfs/dbraw/zinc/94/12/13/691941213.db2.gz FGLMSHWMLXAJAC-UHFFFAOYSA-N 0 3 306.356 2.235 20 30 DEEDHN N#Cc1ccc(N2CCN(C[C@@H]3C[C@@]34CCOC4)CC2)c(F)c1 ZINC000885979785 691976848 /nfs/dbraw/zinc/97/68/48/691976848.db2.gz MMXRCMBCEZGTHH-MAUKXSAKSA-N 0 3 315.392 2.246 20 30 DEEDHN C[C@@](O)(CN1CCC(Oc2ccc(C#N)cc2)CC1)C(F)F ZINC000885985637 691978242 /nfs/dbraw/zinc/97/82/42/691978242.db2.gz MHNKGPAOJSDKQU-MRXNPFEDSA-N 0 3 310.344 2.418 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2conc2C(F)(F)F)CC1 ZINC001045500777 691989828 /nfs/dbraw/zinc/98/98/28/691989828.db2.gz KGJDUPVHILRGNE-UHFFFAOYSA-N 0 3 317.311 2.464 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC001045628805 692007551 /nfs/dbraw/zinc/00/75/51/692007551.db2.gz MKBISNXLYNJTDH-UHFFFAOYSA-N 0 3 313.445 2.360 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2COc3ccccc32)CC1 ZINC001045652609 692010558 /nfs/dbraw/zinc/01/05/58/692010558.db2.gz YEKBVRWFEROESO-HNNXBMFYSA-N 0 3 300.402 2.319 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@H]3CCC3(C)C)C2)CC1 ZINC001045679774 692012952 /nfs/dbraw/zinc/01/29/52/692012952.db2.gz OTIPXYOVUBXWEE-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccccc1[O-])C2 ZINC001045915097 692048182 /nfs/dbraw/zinc/04/81/82/692048182.db2.gz HLUMQPVLQNUFLO-IBGZPJMESA-N 0 3 312.413 2.344 20 30 DEEDHN C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccccc1[O-])C2 ZINC001045915097 692048185 /nfs/dbraw/zinc/04/81/85/692048185.db2.gz HLUMQPVLQNUFLO-IBGZPJMESA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cncs1)C2 ZINC001045919580 692051321 /nfs/dbraw/zinc/05/13/21/692051321.db2.gz BEKVHTAXVXCYKN-INIZCTEOSA-N 0 3 303.431 2.095 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1=COCCC1)C2 ZINC001045921874 692051962 /nfs/dbraw/zinc/05/19/62/692051962.db2.gz UNYZKYBNGNFXLF-GOSISDBHSA-N 0 3 302.418 2.019 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cnc(C)s1)C2 ZINC001045921104 692052350 /nfs/dbraw/zinc/05/23/50/692052350.db2.gz FLPKZYLTAZQMET-QGZVFWFLSA-N 0 3 317.458 2.403 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1CCOCC1)C2 ZINC001045923388 692052985 /nfs/dbraw/zinc/05/29/85/692052985.db2.gz WYAPURSWMVKSRJ-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1CC(F)(F)C1)C2 ZINC001045927780 692054498 /nfs/dbraw/zinc/05/44/98/692054498.db2.gz LRIOMMAXBXOQKI-INIZCTEOSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1=CCOCC1)C2 ZINC001045932718 692055510 /nfs/dbraw/zinc/05/55/10/692055510.db2.gz PAGIFIVTZHIMAL-IBGZPJMESA-N 0 3 316.445 2.061 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[C@@H]1C(F)F)C2 ZINC001045933644 692056631 /nfs/dbraw/zinc/05/66/31/692056631.db2.gz DQKIKNZEDPXJEG-GRDNDAEWSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCOCC1)C2 ZINC001045933697 692056762 /nfs/dbraw/zinc/05/67/62/692056762.db2.gz GFFCWQMGCCJOHH-IEBWSBKVSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1onc(C)c1C)C2 ZINC001045946127 692059896 /nfs/dbraw/zinc/05/98/96/692059896.db2.gz JWWJJUYTOXMNMH-SFHVURJKSA-N 0 3 315.417 2.243 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C1 ZINC000886359268 692065262 /nfs/dbraw/zinc/06/52/62/692065262.db2.gz ABZKWYWPRPLHFQ-BRWVUGGUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)NCCc2cccc3cccnc32)C1 ZINC000886361379 692066961 /nfs/dbraw/zinc/06/69/61/692066961.db2.gz FCZJYKARQGKXQS-INIZCTEOSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000886361466 692067033 /nfs/dbraw/zinc/06/70/33/692067033.db2.gz IXMJVUOGURERBK-UKRRQHHQSA-N 0 3 313.401 2.317 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cc(CC)on1)C2 ZINC001045981774 692068993 /nfs/dbraw/zinc/06/89/93/692068993.db2.gz ZXHKOGHDBQNWOW-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C3(F)CCCCC3)CC2)C1 ZINC001046076879 692081250 /nfs/dbraw/zinc/08/12/50/692081250.db2.gz ICRFPGNTVLYXQH-INIZCTEOSA-N 0 3 323.456 2.063 20 30 DEEDHN C#CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C1CCN(C)CC1 ZINC000886573728 692113870 /nfs/dbraw/zinc/11/38/70/692113870.db2.gz UUAOTKSATHMAMX-JKSUJKDBSA-N 0 3 302.443 2.408 20 30 DEEDHN C#CCN(C(=O)C#Cc1ccc(CC)cc1)C1CCN(C)CC1 ZINC000886575781 692114843 /nfs/dbraw/zinc/11/48/43/692114843.db2.gz KRZZESRXCKVLDD-UHFFFAOYSA-N 0 3 308.425 2.157 20 30 DEEDHN C#CCN(C(=O)CCCC[C@@H](C)C(C)=O)C1CCN(C)CC1 ZINC000886580093 692116429 /nfs/dbraw/zinc/11/64/29/692116429.db2.gz VCBQFFONPXZTCI-OAHLLOKOSA-N 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/nfs/dbraw/zinc/16/15/30/692161530.db2.gz MCHXZHVABIHUNX-SFHVURJKSA-N 0 3 314.433 2.216 20 30 DEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001046404207 692176716 /nfs/dbraw/zinc/17/67/16/692176716.db2.gz XSTLTLDMZNTQQG-CYBMUJFWSA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCC1(O)CCN(C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000886757682 692184654 /nfs/dbraw/zinc/18/46/54/692184654.db2.gz OEAJQKWRFBZQDE-QGZVFWFLSA-N 0 3 319.445 2.446 20 30 DEEDHN C#CCC1(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC000886789992 692191199 /nfs/dbraw/zinc/19/11/99/692191199.db2.gz MFRIGBGXMSTIEP-QGZVFWFLSA-N 0 3 311.429 2.356 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001046472655 692197776 /nfs/dbraw/zinc/19/77/76/692197776.db2.gz KHHVOECULDGOKH-KDOFPFPSSA-N 0 3 318.392 2.458 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886819579 692199145 /nfs/dbraw/zinc/19/91/45/692199145.db2.gz ULRQSBHKLABWKM-HOCLYGCPSA-N 0 3 301.346 2.467 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3ccncc3n2)C1 ZINC001046487650 692203514 /nfs/dbraw/zinc/20/35/14/692203514.db2.gz DBQXAGUKLWOJCC-SFHVURJKSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001046686451 692261075 /nfs/dbraw/zinc/26/10/75/692261075.db2.gz MRMRESZPHBONJZ-HNAYVOBHSA-N 0 3 314.429 2.492 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cn(CCC)nc2C)C1 ZINC001046727814 692275948 /nfs/dbraw/zinc/27/59/48/692275948.db2.gz JJNAXUMITKBOGH-KRWDZBQOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001046739130 692278878 /nfs/dbraw/zinc/27/88/78/692278878.db2.gz JSWPEWMHKLURQJ-ACJLOTCBSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001046748773 692284434 /nfs/dbraw/zinc/28/44/34/692284434.db2.gz XRMRFDFNHVSPNI-IBGZPJMESA-N 0 3 322.412 2.294 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001046768647 692292684 /nfs/dbraw/zinc/29/26/84/692292684.db2.gz 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/nfs/dbraw/zinc/85/97/51/1162859751.db2.gz BVVIQGYYEYJCIT-ZDUSSCGKSA-N 0 3 321.384 2.056 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1nccc(C)n1)C1CC1 ZINC001373880929 1157430132 /nfs/dbraw/zinc/43/01/32/1157430132.db2.gz RBABGDGQSYSQQI-OAHLLOKOSA-N 0 3 308.813 2.026 20 30 DEEDHN C[C@H](CCNC(=O)c1cccnc1)NCc1ccccc1C#N ZINC001403451566 1162887480 /nfs/dbraw/zinc/88/74/80/1162887480.db2.gz YRKLFWAFRSKGOC-CQSZACIVSA-N 0 3 308.385 2.251 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccnc(N(C)C)c1)C(C)C ZINC001374442054 1157857048 /nfs/dbraw/zinc/85/70/48/1157857048.db2.gz ZDHIVMWKFCCEGX-AWEZNQCLSA-N 0 3 324.856 2.244 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@H](C)NC(=O)[C@H](C)C#N ZINC001374872087 1158066434 /nfs/dbraw/zinc/06/64/34/1158066434.db2.gz FIFZGQIEYKRIIF-MNOVXSKESA-N 0 3 309.797 2.103 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001374873795 1158068130 /nfs/dbraw/zinc/06/81/30/1158068130.db2.gz LCWFODJLLIRTDI-NSHDSACASA-N 0 3 314.364 2.242 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001394375406 1158445417 /nfs/dbraw/zinc/44/54/17/1158445417.db2.gz MPHFEQYWBMLVEI-AULYBMBSSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)CC)C1 ZINC001375476520 1158737942 /nfs/dbraw/zinc/73/79/42/1158737942.db2.gz NQCXMWYXKRANNY-ZMLRMANQSA-N 0 3 303.244 2.426 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3CC34CCC4)CC2)cc1 ZINC001375489833 1158761736 /nfs/dbraw/zinc/76/17/36/1158761736.db2.gz KXSDZPUBOKDGNM-MRXNPFEDSA-N 0 3 309.413 2.487 20 30 DEEDHN C#CCCN(C)CCNC(=O)CCOc1cc(C)ccc1C ZINC001492840728 1159183476 /nfs/dbraw/zinc/18/34/76/1159183476.db2.gz URVKOQZIADQZRK-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C[C@H](CNC(=O)CCn1cccc1)NCc1ccc(C#N)s1 ZINC001376831119 1159816615 /nfs/dbraw/zinc/81/66/15/1159816615.db2.gz GQRAJSKMXACWBP-CYBMUJFWSA-N 0 3 316.430 2.106 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(COC)o1 ZINC001377052492 1159886544 /nfs/dbraw/zinc/88/65/44/1159886544.db2.gz YDNDUFXREGKBAR-LLVKDONJSA-N 0 3 300.786 2.277 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)[C@H]2CCCO2)C1 ZINC001397097680 1159980961 /nfs/dbraw/zinc/98/09/61/1159980961.db2.gz KVZVZNYMVMMYOA-SPWCGHHHSA-N 0 3 314.857 2.429 20 30 DEEDHN CCCC(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001397099072 1159983858 /nfs/dbraw/zinc/98/38/58/1159983858.db2.gz IVMALWQPICXVJK-KOMQPUFPSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001397110394 1159994102 /nfs/dbraw/zinc/99/41/02/1159994102.db2.gz LKDONTMADYYYNE-MJVIPROJSA-N 0 3 307.344 2.109 20 30 DEEDHN CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1cccc(C#N)c1 ZINC001377295429 1160153957 /nfs/dbraw/zinc/15/39/57/1160153957.db2.gz NLTQKRIXKOWMFU-UHFFFAOYSA-N 0 3 321.384 2.010 20 30 DEEDHN CCCC(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001397566406 1160333765 /nfs/dbraw/zinc/33/37/65/1160333765.db2.gz IVMALWQPICXVJK-FZNQNYSPSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNCc1cc(C2CC2)no1 ZINC001377942957 1160878180 /nfs/dbraw/zinc/87/81/80/1160878180.db2.gz YUHLVJUJFZEDRP-LBPRGKRZSA-N 0 3 318.421 2.286 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001378154852 1161060611 /nfs/dbraw/zinc/06/06/11/1161060611.db2.gz NGGOUTNWMIHBRW-LSDHHAIUSA-N 0 3 315.889 2.438 20 30 DEEDHN C[C@H](CNC(=O)c1cscn1)NCc1ccc(F)c(C#N)c1 ZINC001398863032 1161127237 /nfs/dbraw/zinc/12/72/37/1161127237.db2.gz CRCDANVCPMFJRS-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(CCC)c1C ZINC001399407290 1161381343 /nfs/dbraw/zinc/38/13/43/1161381343.db2.gz VOQOOFYIYWJBJI-LBPRGKRZSA-N 0 3 312.845 2.452 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)nnc2C)CCCC1 ZINC001400924030 1161847345 /nfs/dbraw/zinc/84/73/45/1161847345.db2.gz YYTQBDXUTVVIRK-UHFFFAOYSA-N 0 3 322.840 2.478 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](C)CNCc1cc(F)ccc1C#N ZINC001401123119 1161877877 /nfs/dbraw/zinc/87/78/77/1161877877.db2.gz JMPRXJXFLXZGIO-IAQYHMDHSA-N 0 3 309.360 2.287 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(Cl)n(C)n1)C(C)C ZINC001401335532 1161936647 /nfs/dbraw/zinc/93/66/47/1161936647.db2.gz PPHWNPVAGBSBFF-NSHDSACASA-N 0 3 319.236 2.170 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(CC)nnc1C)C(C)C ZINC001401339188 1161937789 /nfs/dbraw/zinc/93/77/89/1161937789.db2.gz TWCZPCDCWVNQSW-OAHLLOKOSA-N 0 3 324.856 2.444 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cn(C)nc1Cl)C(C)C ZINC001401398714 1161974922 /nfs/dbraw/zinc/97/49/22/1161974922.db2.gz YMTZWCCRJWUDBT-NSHDSACASA-N 0 3 319.236 2.170 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cccnc1 ZINC001401673077 1162069937 /nfs/dbraw/zinc/06/99/37/1162069937.db2.gz WDHQHXOAGIPIBI-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN CC[C@H](SC)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001401679985 1162073263 /nfs/dbraw/zinc/07/32/63/1162073263.db2.gz VHGVNPBPIXFYQS-NHYWBVRUSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001401699750 1162081712 /nfs/dbraw/zinc/08/17/12/1162081712.db2.gz WYPFXKORPWUMOY-DANNLKNASA-N 0 3 315.392 2.338 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)co1 ZINC001401745176 1162105075 /nfs/dbraw/zinc/10/50/75/1162105075.db2.gz MUFGIFGSMUPSJH-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001401750923 1162108696 /nfs/dbraw/zinc/10/86/96/1162108696.db2.gz NQVSTXNJVPKTBC-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN Cc1ccc(CN2CC[C@H](CNC(=O)[C@H](C)C#N)C2)cc1F ZINC001404038121 1163391991 /nfs/dbraw/zinc/39/19/91/1163391991.db2.gz KBKIMMKAIRNEJU-UKRRQHHQSA-N 0 3 303.381 2.232 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)C#N)NCc1cc(C)ccc1OC ZINC001405189376 1164004023 /nfs/dbraw/zinc/00/40/23/1164004023.db2.gz LEKQKOOHKGAPDM-DZGCQCFKSA-N 0 3 303.406 2.148 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001405193303 1164006217 /nfs/dbraw/zinc/00/62/17/1164006217.db2.gz GGABEIOTZBWYMB-WFASDCNBSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](OC)C1CC1)NCc1ccc(C#N)s1 ZINC001405216418 1164017323 /nfs/dbraw/zinc/01/73/23/1164017323.db2.gz IAZXFEQGBFKNTJ-DOMZBBRYSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H](CNC(=O)C1(C)CC1)NCc1cc(C#N)ccc1OC ZINC001405244681 1164025920 /nfs/dbraw/zinc/02/59/20/1164025920.db2.gz DJYMUKQLMHTXOL-HNNXBMFYSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CCOCC1)C1CC1 ZINC001405416284 1164079516 /nfs/dbraw/zinc/07/95/16/1164079516.db2.gz XRNFMMYVURRBMX-HNNXBMFYSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)C1(C)CC1 ZINC001406612180 1164729594 /nfs/dbraw/zinc/72/95/94/1164729594.db2.gz PYEQAZRTCLIPSB-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001406905604 1164877601 /nfs/dbraw/zinc/87/76/01/1164877601.db2.gz GLGSNZCVRNEEDX-SNVBAGLBSA-N 0 3 309.772 2.377 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001417805415 1167225484 /nfs/dbraw/zinc/22/54/84/1167225484.db2.gz YVHXQHFUENQZHS-YTDULGLQSA-N 0 3 304.221 2.340 20 30 DEEDHN CO[C@H](C)C(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001417893292 1167287234 /nfs/dbraw/zinc/28/72/34/1167287234.db2.gz DXRWKVOVWFUWTM-CQSZACIVSA-N 0 3 315.417 2.016 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001417898857 1167292147 /nfs/dbraw/zinc/29/21/47/1167292147.db2.gz KUCYCQCMFMHBKG-JQWIXIFHSA-N 0 3 314.792 2.274 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001417969102 1167334780 /nfs/dbraw/zinc/33/47/80/1167334780.db2.gz WYQFVLMEMLNHTG-OAHLLOKOSA-N 0 3 321.371 2.430 20 30 DEEDHN CC(C)c1cccc(CN[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001417969847 1167336100 /nfs/dbraw/zinc/33/61/00/1167336100.db2.gz PGMQCPUSQMFCQK-GUYCJALGSA-N 0 3 314.433 2.349 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3(CCF)CC3)C2)s1 ZINC001418044101 1167379624 /nfs/dbraw/zinc/37/96/24/1167379624.db2.gz KAXDEHHZUHRSKW-LBPRGKRZSA-N 0 3 321.421 2.450 20 30 DEEDHN COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)c1Cl ZINC001418088767 1167404717 /nfs/dbraw/zinc/40/47/17/1167404717.db2.gz NNHIEWFMEWADDJ-WCFLWFBJSA-N 0 3 321.808 2.245 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H]1CC1(C)C ZINC001418394637 1167623198 /nfs/dbraw/zinc/62/31/98/1167623198.db2.gz VELJYHUYFRUIFN-MNOVXSKESA-N 0 3 303.244 2.426 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001418657068 1167868626 /nfs/dbraw/zinc/86/86/26/1167868626.db2.gz BVXQXFHTJCTQCR-BBRMVZONSA-N 0 3 317.458 2.248 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001418673412 1167875964 /nfs/dbraw/zinc/87/59/64/1167875964.db2.gz SJNWKWPTNOTUCU-HDJSIYSDSA-N 0 3 319.836 2.350 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1ccn(CC)n1)C1CC1 ZINC001419344606 1168413466 /nfs/dbraw/zinc/41/34/66/1168413466.db2.gz GRQURIVKVITVIV-MRXNPFEDSA-N 0 3 324.856 2.073 20 30 DEEDHN N#Cc1ccc(C(=O)NCCC2CCN(C/C=C/Cl)CC2)[nH]1 ZINC001419395910 1168443974 /nfs/dbraw/zinc/44/39/74/1168443974.db2.gz OOZPLKSWTCKAPP-LREOWRDNSA-N 0 3 320.824 2.471 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@H]1C[C@@H]1C ZINC001419492505 1168531675 /nfs/dbraw/zinc/53/16/75/1168531675.db2.gz DONVIZMLDXHZCQ-MKBNYLNASA-N 0 3 303.381 2.195 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001419623322 1168701965 /nfs/dbraw/zinc/70/19/65/1168701965.db2.gz XUHVGEPMRPZQLI-SWLSCSKDSA-N 0 3 324.856 2.312 20 30 DEEDHN CC(C)n1ccc(CNC2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001419673716 1168787242 /nfs/dbraw/zinc/78/72/42/1168787242.db2.gz ROUWDXHTYXDGHB-WLYUNCDWSA-N 0 3 317.437 2.141 20 30 DEEDHN CCc1cc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)no1 ZINC001420368407 1169417856 /nfs/dbraw/zinc/41/78/56/1169417856.db2.gz YIYWRHFHHBINJF-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CCC(F)F ZINC001420444763 1169566711 /nfs/dbraw/zinc/56/67/11/1169566711.db2.gz WKTYZEARTGSZCN-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN N#Cc1cc(CN2CC[C@@H](CCNC(=O)C3CC3)C2)ccc1F ZINC001420829973 1171233000 /nfs/dbraw/zinc/23/30/00/1171233000.db2.gz OXOZKHLMSWLBQI-CYBMUJFWSA-N 0 3 315.392 2.436 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@](C)(CNCc2cc(C3CC3)no2)C1 ZINC001421235804 1171621772 /nfs/dbraw/zinc/62/17/72/1171621772.db2.gz ZNEGMUUDPOQFPT-PXAZEXFGSA-N 0 3 316.405 2.040 20 30 DEEDHN C=C(Br)CNC[C@](C)(NC(=O)C(C)C)C1CC1 ZINC001421544352 1171841430 /nfs/dbraw/zinc/84/14/30/1171841430.db2.gz OKPKDIWDEBWSJX-ZDUSSCGKSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ncc[nH]2)CCCC[C@@H]1C ZINC001421594927 1171862273 /nfs/dbraw/zinc/86/22/73/1171862273.db2.gz WQBXHZGUKDDGAX-NHYWBVRUSA-N 0 3 310.829 2.431 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2cncn2C)CCCC1 ZINC001421850551 1172044417 /nfs/dbraw/zinc/04/44/17/1172044417.db2.gz YDQUBKIREUZDMN-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN O=C1C=COC2(CCN(C[C@@H]3CCC[C@@]4(CCOC4)O3)CC2)C1 ZINC001422331767 1172498056 /nfs/dbraw/zinc/49/80/56/1172498056.db2.gz PAUPDUHRHGPUET-WMZOPIPTSA-N 0 3 321.417 2.052 20 30 DEEDHN CCOCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001423587757 1173431137 /nfs/dbraw/zinc/43/11/37/1173431137.db2.gz DCZRKYJZJWZNIO-AWEZNQCLSA-N 0 3 323.462 2.277 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)[C@H](C)NCc2ccc(C#N)s2)no1 ZINC001424740323 1173893800 /nfs/dbraw/zinc/89/38/00/1173893800.db2.gz BGQIBIOAFBGCLH-WDEREUQCSA-N 0 3 318.402 2.213 20 30 DEEDHN Cc1cc(CN2CC([C@H](C)NC(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001425226017 1174246842 /nfs/dbraw/zinc/24/68/42/1174246842.db2.gz BZXWNGLNNYWQNV-JQWIXIFHSA-N 0 3 305.447 2.461 20 30 DEEDHN CCn1cccc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1=O ZINC001433503830 1177856535 /nfs/dbraw/zinc/85/65/35/1177856535.db2.gz UYAXTNGFMDMQJO-HNNXBMFYSA-N 0 3 320.352 2.061 20 30 DEEDHN CCN(CCNC(=O)[C@@H](OC)C(C)C)Cc1cccc(C#N)c1 ZINC001437618498 1179865668 /nfs/dbraw/zinc/86/56/68/1179865668.db2.gz FFXUETXNUFMPTQ-KRWDZBQOSA-N 0 3 317.433 2.167 20 30 DEEDHN COCC(C)(C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001438507120 1180512816 /nfs/dbraw/zinc/51/28/16/1180512816.db2.gz MGOISTBWRRDEAD-AWEZNQCLSA-N 0 3 317.433 2.073 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438628343 1180695958 /nfs/dbraw/zinc/69/59/58/1180695958.db2.gz NZUWHXVTZSXVTO-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438632452 1180700368 /nfs/dbraw/zinc/70/03/68/1180700368.db2.gz RVSMUTRIAQPRTC-WBMJQRKESA-N 0 3 321.396 2.059 20 30 DEEDHN Cc1noc(C)c1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001439089076 1180879784 /nfs/dbraw/zinc/87/97/84/1180879784.db2.gz XGBMOQIYAFFDHU-SECBINFHSA-N 0 3 318.402 2.133 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCOC1 ZINC001439105872 1180886031 /nfs/dbraw/zinc/88/60/31/1180886031.db2.gz QPMIXCHNGZCKSR-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN COCC1(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)CCC1 ZINC001439124131 1180889877 /nfs/dbraw/zinc/88/98/77/1180889877.db2.gz DDUGWYXUTWGKET-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)COC(C)(C)C ZINC001439208312 1180938537 /nfs/dbraw/zinc/93/85/37/1180938537.db2.gz GFNQYTWJJSMZAB-NSHDSACASA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)COC(C)(C)C ZINC001439208660 1180938600 /nfs/dbraw/zinc/93/86/00/1180938600.db2.gz ICICFGOYVJXDEZ-LBPRGKRZSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@@H]2CCc3c2cccc3F)CC1 ZINC001439594591 1181161793 /nfs/dbraw/zinc/16/17/93/1181161793.db2.gz CQBIVOSFARFSHW-IAQYHMDHSA-N 0 3 301.365 2.211 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)CCn3cccc3)CC2)cc1 ZINC001439659795 1181190058 /nfs/dbraw/zinc/19/00/58/1181190058.db2.gz VXMWPQMQFDHKRK-UHFFFAOYSA-N 0 3 322.412 2.188 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001440280325 1181422633 /nfs/dbraw/zinc/42/26/33/1181422633.db2.gz VQFQSJAQUQKRHZ-KWCYVHTRSA-N 0 3 300.830 2.038 20 30 DEEDHN Cc1ncccc1CNC1(CNC(=O)c2ccc(C#N)[nH]2)CCC1 ZINC001440298453 1181433654 /nfs/dbraw/zinc/43/36/54/1181433654.db2.gz KYNIXHQPBUQHGH-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](OC)[C@H](C)CC)C1 ZINC001440340291 1181455612 /nfs/dbraw/zinc/45/56/12/1181455612.db2.gz IAOUUZNYIBUPAQ-ZRJCITRHSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC2(COC)CC2)C1 ZINC001440402641 1181486509 /nfs/dbraw/zinc/48/65/09/1181486509.db2.gz RSTVMYRPVNIOGE-UONOGXRCSA-N 0 3 314.857 2.430 20 30 DEEDHN CO[C@@H](C)C(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001440423419 1181504374 /nfs/dbraw/zinc/50/43/74/1181504374.db2.gz PYDVSRVMSGYOFW-ZDUSSCGKSA-N 0 3 321.396 2.013 20 30 DEEDHN C[C@@H](NC(=O)c1ccc[nH]1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001440791917 1181694380 /nfs/dbraw/zinc/69/43/80/1181694380.db2.gz SKJZDUCLAQPQTM-NWDGAFQWSA-N 0 3 314.364 2.322 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001441452035 1182001596 /nfs/dbraw/zinc/00/15/96/1182001596.db2.gz AIJIBAJFBFWPAV-WQAKAFBOSA-N 0 3 309.772 2.376 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CC(F)(F)F)C1 ZINC001441477348 1182013111 /nfs/dbraw/zinc/01/31/11/1182013111.db2.gz XIIVMKPSHBGHSI-OCAPTIKFSA-N 0 3 315.133 2.084 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001442471249 1182488316 /nfs/dbraw/zinc/48/83/16/1182488316.db2.gz LOZAKWNBLTVFOC-UHFFFAOYSA-N 0 3 322.449 2.220 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001442840481 1182739277 /nfs/dbraw/zinc/73/92/77/1182739277.db2.gz NLMVTMQZFVPSJI-HNNXBMFYSA-N 0 3 303.381 2.244 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001443234805 1182888978 /nfs/dbraw/zinc/88/89/78/1182888978.db2.gz AZULNDXAXULPIY-GXTWGEPZSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CCNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001443234805 1182888979 /nfs/dbraw/zinc/88/89/79/1182888979.db2.gz AZULNDXAXULPIY-GXTWGEPZSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CN[C@@H](CC)CNC(=O)Cn1ccnc1C(C)C ZINC001444006748 1183251903 /nfs/dbraw/zinc/25/19/03/1183251903.db2.gz OAOUMMHPOCVDRX-ZDUSSCGKSA-N 0 3 312.845 2.243 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2n[nH]c(C)c2C)CCCC1 ZINC001444069549 1183278172 /nfs/dbraw/zinc/27/81/72/1183278172.db2.gz PVIBXRMTHATNLS-UHFFFAOYSA-N 0 3 310.829 2.411 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)C1=COCCC1 ZINC001444580165 1183466337 /nfs/dbraw/zinc/46/63/37/1183466337.db2.gz GUOJJPHIBWHKQH-LBPRGKRZSA-N 0 3 319.430 2.251 20 30 DEEDHN COc1ccc(F)cc1CN[C@@H](CNC(=O)[C@H](C)C#N)C(C)C ZINC001444859357 1183598699 /nfs/dbraw/zinc/59/86/99/1183598699.db2.gz IHFIXIPGMFKXDQ-DOMZBBRYSA-N 0 3 321.396 2.224 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnn(C)c1Cl)C(C)C ZINC001444881273 1183617433 /nfs/dbraw/zinc/61/74/33/1183617433.db2.gz BWCRGDGVUDLINU-NSHDSACASA-N 0 3 319.236 2.170 20 30 DEEDHN CN(CCN(C)C(=O)CC1CC1)Cc1ccc(OCC#N)cc1 ZINC001444931543 1183654771 /nfs/dbraw/zinc/65/47/71/1183654771.db2.gz LYNLISWWFSKJEA-UHFFFAOYSA-N 0 3 315.417 2.279 20 30 DEEDHN CC(C)(F)C(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001445914741 1184125639 /nfs/dbraw/zinc/12/56/39/1184125639.db2.gz LOKUZXWOQYMKCT-HNNXBMFYSA-N 0 3 321.371 2.430 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)CCCF)CC2)cc1C#N ZINC001446221263 1184273503 /nfs/dbraw/zinc/27/35/03/1184273503.db2.gz IPIFMKAQTIPMTN-UHFFFAOYSA-N 0 3 319.380 2.055 20 30 DEEDHN Cc1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C3)o1 ZINC001446960854 1184593228 /nfs/dbraw/zinc/59/32/28/1184593228.db2.gz RZJGOUIBXZDUHU-MHEUCROKSA-N 0 3 316.405 2.002 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001447294101 1184707149 /nfs/dbraw/zinc/70/71/49/1184707149.db2.gz AFWQUXQBAMZVNY-BBRMVZONSA-N 0 3 303.381 2.456 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001447294112 1184707178 /nfs/dbraw/zinc/70/71/78/1184707178.db2.gz AFWQUXQBAMZVNY-CZUORRHYSA-N 0 3 303.381 2.456 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@H]2C(C)C)CCOCC1 ZINC001447498975 1184790544 /nfs/dbraw/zinc/79/05/44/1184790544.db2.gz ORQFWLOHVLSFQM-ZIAGYGMSSA-N 0 3 314.857 2.286 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)on1 ZINC001447989832 1185004086 /nfs/dbraw/zinc/00/40/86/1185004086.db2.gz ZZTUTQOMUQNHQM-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C#N)N(C)CCOc1ccc(Cl)cc1 ZINC001447998136 1185013024 /nfs/dbraw/zinc/01/30/24/1185013024.db2.gz XNWKAGODUCUCTL-QWHCGFSZSA-N 0 3 323.824 2.315 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCC2CCOCC2)C1 ZINC001448526487 1185275058 /nfs/dbraw/zinc/27/50/58/1185275058.db2.gz OJLQDFXBKOIDFA-SHTZXODSSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)[C@H](F)CC ZINC001448598145 1185314272 /nfs/dbraw/zinc/31/42/72/1185314272.db2.gz XQBHQWVZFYNCOZ-NEPJUHHUSA-N 0 3 321.234 2.470 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](OC)C3CCCC3)CCC[C@H]12 ZINC001332121980 1149822050 /nfs/dbraw/zinc/82/20/50/1149822050.db2.gz ZTANPZDOKRNQHD-LZLYRXPVSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCOc3ccccc3)CCC[C@H]12 ZINC001332121266 1149822156 /nfs/dbraw/zinc/82/21/56/1149822156.db2.gz YJFHXPLYQRBNIV-HKUYNNGSSA-N 0 3 312.413 2.202 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cn(C)nc3C3CCC3)C2)C1 ZINC001072870575 790280713 /nfs/dbraw/zinc/28/07/13/790280713.db2.gz NBLWLGUBBYDQRP-UHFFFAOYSA-N 0 3 314.433 2.022 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H](NC[C@@H](F)CC)C(C)(C)C2)c1 ZINC001332424122 1149858898 /nfs/dbraw/zinc/85/88/98/1149858898.db2.gz RCBUXGCHGKYCSF-JKSUJKDBSA-N 0 3 317.408 2.251 20 30 DEEDHN C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089317989 782532553 /nfs/dbraw/zinc/53/25/53/782532553.db2.gz MMVBOHDQKQNNEZ-CQSZACIVSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089317989 782532555 /nfs/dbraw/zinc/53/25/55/782532555.db2.gz MMVBOHDQKQNNEZ-CQSZACIVSA-N 0 3 300.402 2.246 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC001072916437 790301766 /nfs/dbraw/zinc/30/17/66/790301766.db2.gz LBWHARVNPNGHGM-AWEZNQCLSA-N 0 3 310.388 2.370 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21)C(C)C ZINC001332722392 1149883970 /nfs/dbraw/zinc/88/39/70/1149883970.db2.gz HKMTXEZNKSJONK-GDBMZVCRSA-N 0 3 318.465 2.430 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001332938027 1149927677 /nfs/dbraw/zinc/92/76/77/1149927677.db2.gz AOXZKUCFSVRTFW-YPMHNXCESA-N 0 3 305.353 2.052 20 30 DEEDHN CN(C(=O)C#CC1CC1)C1CC(NCc2ccncc2Cl)C1 ZINC001333060257 1149978142 /nfs/dbraw/zinc/97/81/42/1149978142.db2.gz AOJMLQMXMNHXQR-UHFFFAOYSA-N 0 3 317.820 2.227 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2n[nH]c(C)c2C)CC(C)(C)C1 ZINC001089341722 782863512 /nfs/dbraw/zinc/86/35/12/782863512.db2.gz OYZVNWLOIYWBPP-HNNXBMFYSA-N 0 3 316.449 2.270 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCCO2)CC(C)(C)C1 ZINC001089356349 782978341 /nfs/dbraw/zinc/97/83/41/782978341.db2.gz WHIPVMXJKRKIFO-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccns2)CC(C)(C)C1 ZINC001089401692 783069757 /nfs/dbraw/zinc/06/97/57/783069757.db2.gz WYCZDCIBVKSMKH-CYBMUJFWSA-N 0 3 305.447 2.387 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(CC)n2)CC(C)(C)C1 ZINC001089408349 783075968 /nfs/dbraw/zinc/07/59/68/783075968.db2.gz FZGLMDQTNUWWST-MRXNPFEDSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccn3nccc23)CC(C)(C)C1 ZINC001089429815 783100015 /nfs/dbraw/zinc/10/00/15/783100015.db2.gz FEENMDVMYXZTKT-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnc3ccccn32)CC(C)(C)C1 ZINC001089427236 783095042 /nfs/dbraw/zinc/09/50/42/783095042.db2.gz PUSLAYCVVORPQW-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CC(C)(C)CO2)CC(C)(C)C1 ZINC001089437611 783107604 /nfs/dbraw/zinc/10/76/04/783107604.db2.gz FADFWYPZUIIKLV-HZPDHXFCSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ncc3ccccn32)CC(C)(C)C1 ZINC001089442145 783110428 /nfs/dbraw/zinc/11/04/28/783110428.db2.gz NSGIDCUGEWABMX-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C[C@H]1C ZINC000947305921 783111147 /nfs/dbraw/zinc/11/11/47/783111147.db2.gz MZGQTLXHUHIDGK-KGLIPLIRSA-N 0 3 304.438 2.312 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C[C@H]1C ZINC000947468904 783145230 /nfs/dbraw/zinc/14/52/30/783145230.db2.gz RRNTXZZPOQEVTG-CABCVRRESA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCOCC2)CC(C)(C)C1 ZINC001089520000 783180608 /nfs/dbraw/zinc/18/06/08/783180608.db2.gz QGYJLVSQLWLWRV-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3onc(C)c3c2)C[C@H]1C ZINC000947597600 783185966 /nfs/dbraw/zinc/18/59/66/783185966.db2.gz ILEWUZMPXMMMFW-RISCZKNCSA-N 0 3 314.389 2.300 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2C)C[C@@H]1C ZINC000947670468 783202569 /nfs/dbraw/zinc/20/25/69/783202569.db2.gz FSSAKSDAZLDQHJ-LSDHHAIUSA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2OC)C[C@H]1C ZINC000947788091 783232017 /nfs/dbraw/zinc/23/20/17/783232017.db2.gz FXSZYSFTELYOJA-ZIAGYGMSSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cccc2Cl)[C@@H](O)C1 ZINC001090550055 790348235 /nfs/dbraw/zinc/34/82/35/790348235.db2.gz MCNMBDBIHLSOSQ-CABCVRRESA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)C1 ZINC001073009615 790379675 /nfs/dbraw/zinc/37/96/75/790379675.db2.gz CBRGNWYKZJRADR-UHFFFAOYSA-N 0 3 312.373 2.004 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H](O)C1 ZINC001090599421 790388909 /nfs/dbraw/zinc/38/89/09/790388909.db2.gz FQBDEMRSLGQQRP-DLBZAZTESA-N 0 3 308.466 2.474 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](F)c3ccccc3)C2)C1 ZINC001073019954 790390035 /nfs/dbraw/zinc/39/00/35/790390035.db2.gz CJXKZDBMRMTZKJ-INIZCTEOSA-N 0 3 300.377 2.255 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N(CCN(C)C)C1CCCCC1 ZINC001136627657 790404524 /nfs/dbraw/zinc/40/45/24/790404524.db2.gz TUQHEWUUOYMRQY-UHFFFAOYSA-N 0 3 310.438 2.219 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc4c(c3)C[C@H](C)O4)C2)C1 ZINC001073059526 790423783 /nfs/dbraw/zinc/42/37/83/790423783.db2.gz JQKKJZVTEJILLK-AWEZNQCLSA-N 0 3 312.413 2.344 20 30 DEEDHN C=C(C)CCC(=O)NC1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001073092911 790447536 /nfs/dbraw/zinc/44/75/36/790447536.db2.gz FINFHNOXJZKNPN-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN C[C@@H](NCCNC(=O)c1cc(C#N)c[nH]1)c1ccc(F)c(F)c1 ZINC001125370285 776836873 /nfs/dbraw/zinc/83/68/73/776836873.db2.gz LFGZSNLMTYAPKJ-SNVBAGLBSA-N 0 3 318.327 2.245 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@H](O)C1 ZINC001090763768 790496527 /nfs/dbraw/zinc/49/65/27/790496527.db2.gz LRRNZTRQAKBVQE-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)[C@H](O)C1 ZINC001090767422 790501638 /nfs/dbraw/zinc/50/16/38/790501638.db2.gz JLFVENKJEPIUGA-HUUCEWRRSA-N 0 3 322.474 2.035 20 30 DEEDHN C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cnc[nH]3)C2)C1 ZINC001136866017 790501790 /nfs/dbraw/zinc/50/17/90/790501790.db2.gz HAJRGFGOROOSIH-MRXNPFEDSA-N 0 3 304.394 2.020 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001167536626 777294262 /nfs/dbraw/zinc/29/42/62/777294262.db2.gz UTBCMAQLTHVVLR-OLZOCXBDSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCSCC)C[C@H]1c1ccccc1 ZINC001211540577 777312965 /nfs/dbraw/zinc/31/29/65/777312965.db2.gz 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ZINC001087288815 777734255 /nfs/dbraw/zinc/73/42/55/777734255.db2.gz COSBFMZODUVQIT-DJIMGWMZSA-N 0 3 313.445 2.484 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccns3)C(C)(C)[C@H]21 ZINC001087288538 777734340 /nfs/dbraw/zinc/73/43/40/777734340.db2.gz YVMFKGNYJHAXNY-YUELXQCFSA-N 0 3 317.458 2.385 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccco3)C(C)(C)[C@@H]21 ZINC001087309574 777766330 /nfs/dbraw/zinc/76/63/30/777766330.db2.gz JIGLSICRPQURBU-KBAYOESNSA-N 0 3 314.429 2.451 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1ccc[nH]1 ZINC001087319958 777783632 /nfs/dbraw/zinc/78/36/32/777783632.db2.gz WZWOKPTUYQSWLY-BPQIPLTHSA-N 0 3 313.445 2.186 20 30 DEEDHN CCCCCCCNCc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098591350 777794117 /nfs/dbraw/zinc/79/41/17/777794117.db2.gz FDRKRGCGTWLPMD-MRXNPFEDSA-N 0 3 307.442 2.131 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2sccc2C(C)C)[C@@H](O)C1 ZINC001090829582 790578752 /nfs/dbraw/zinc/57/87/52/790578752.db2.gz DCBFHURKVUCQCA-CABCVRRESA-N 0 3 320.458 2.060 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)[C@@H](O)C1 ZINC001090838953 790586533 /nfs/dbraw/zinc/58/65/33/790586533.db2.gz HCHUMUUWIILXRW-KGLIPLIRSA-N 0 3 320.458 2.060 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)[C@H](O)C1 ZINC001090856083 790604869 /nfs/dbraw/zinc/60/48/69/790604869.db2.gz WEJGMEOIRUKJHE-IAGOWNOFSA-N 0 3 320.477 2.168 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090861240 790611347 /nfs/dbraw/zinc/61/13/47/790611347.db2.gz FQLYMEUVGZRPIC-ZWKOTPCHSA-N 0 3 312.413 2.179 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1c1ccc(OC)cc1 ZINC001090867290 790625846 /nfs/dbraw/zinc/62/58/46/790625846.db2.gz HRUIEBXWFNXCKO-YBCPOEMVSA-N 0 3 312.413 2.179 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1c1ccc(OC)cc1 ZINC001090881717 790636934 /nfs/dbraw/zinc/63/69/34/790636934.db2.gz MVVYOWAWVHUCJA-OKZBNKHCSA-N 0 3 324.424 2.013 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000981286322 778697362 /nfs/dbraw/zinc/69/73/62/778697362.db2.gz GRHOFXWKMFKQJB-UHFFFAOYSA-N 0 3 302.422 2.022 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCNCc1ccccc1OC(C)C ZINC001126361274 778827489 /nfs/dbraw/zinc/82/74/89/778827489.db2.gz ZITYNGWIPMPAGV-SFHVURJKSA-N 0 3 320.433 2.007 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CC(C3CC3)C3CC3)C2)C1 ZINC001073463420 790671309 /nfs/dbraw/zinc/67/13/09/790671309.db2.gz FVCJZFOHWBCRRP-UHFFFAOYSA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2cnc(C)s2)CCOCC1 ZINC001149306035 779044893 /nfs/dbraw/zinc/04/48/93/779044893.db2.gz RWVVIKFNNRAUSH-UHFFFAOYSA-N 0 3 323.462 2.030 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2occc2C)[C@H](OC)C1 ZINC001211844730 779086097 /nfs/dbraw/zinc/08/60/97/779086097.db2.gz JINANHXRPIYPEE-RBSFLKMASA-N 0 3 306.406 2.372 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C(C)C)n(C)n3)[C@@H]2C1 ZINC001075783968 779230179 /nfs/dbraw/zinc/23/01/79/779230179.db2.gz XUOZUONXQGHNSJ-WMLDXEAASA-N 0 3 316.449 2.266 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3Cc4cccc(C)c4O3)C2)C1 ZINC001073497629 790694322 /nfs/dbraw/zinc/69/43/22/790694322.db2.gz WSMWBKUCZOVKKC-MRXNPFEDSA-N 0 3 312.413 2.019 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)[C@@H]2C1 ZINC001075811854 779348108 /nfs/dbraw/zinc/34/81/08/779348108.db2.gz INWFDVUNMQGGTD-HRCADAONSA-N 0 3 316.449 2.115 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1CC ZINC001087621619 779382241 /nfs/dbraw/zinc/38/22/41/779382241.db2.gz CBMVNFYEUAIHIY-LSDHHAIUSA-N 0 3 304.438 2.082 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nc3sccn32)[C@H]1CC ZINC001087624157 779382554 /nfs/dbraw/zinc/38/25/54/779382554.db2.gz NAXJHYHWFJGPLO-QWHCGFSZSA-N 0 3 318.446 2.473 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C(F)F)c2)[C@H]1CC ZINC001087776367 779446415 /nfs/dbraw/zinc/44/64/15/779446415.db2.gz YQVFBZZXMVZUMQ-QWHCGFSZSA-N 0 3 312.364 2.437 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@H]1CC ZINC001087825813 779470057 /nfs/dbraw/zinc/47/00/57/779470057.db2.gz BUHQDHWHPQWOQX-RBUKOAKNSA-N 0 3 310.441 2.320 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)C)[C@H]1CC ZINC001087826410 779470617 /nfs/dbraw/zinc/47/06/17/779470617.db2.gz MKWPCPLUNWDDHO-LSDHHAIUSA-N 0 3 304.438 2.312 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2sccc2C)C1 ZINC001073515055 790706894 /nfs/dbraw/zinc/70/68/94/790706894.db2.gz KXPKVJSNQZOTJY-CQSZACIVSA-N 0 3 308.447 2.453 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3cccs3)C[C@@H]2C1 ZINC001087867411 779499019 /nfs/dbraw/zinc/49/90/19/779499019.db2.gz POTBIVKUFOLGNJ-CABCVRRESA-N 0 3 302.443 2.094 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)C[C@@H]2C1 ZINC001087923046 779546677 /nfs/dbraw/zinc/54/66/77/779546677.db2.gz LJCJTXBBQFHQEV-CABCVRRESA-N 0 3 302.462 2.472 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C[C@@H]2C1 ZINC001088012410 779631598 /nfs/dbraw/zinc/63/15/98/779631598.db2.gz IBICBFIOOILXLK-BSWAZPDLSA-N 0 3 314.454 2.265 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(CC)o3)C[C@@H]2C1 ZINC001088015900 779636021 /nfs/dbraw/zinc/63/60/21/779636021.db2.gz DMTODYMTHMVQPM-CABCVRRESA-N 0 3 300.402 2.259 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnn3CCC)[C@@H]2C1 ZINC001075837506 779698391 /nfs/dbraw/zinc/69/83/91/779698391.db2.gz MKOGCXUAUKKSBB-GOEBONIOSA-N 0 3 302.422 2.016 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)C[C@@H]2C1 ZINC001088103209 779703027 /nfs/dbraw/zinc/70/30/27/779703027.db2.gz NROKGMYEPVFYDM-KFWWJZLASA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001088133272 779719435 /nfs/dbraw/zinc/71/94/35/779719435.db2.gz ZICXXXHLBOCSHS-OAGGEKHMSA-N 0 3 300.402 2.105 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3OCc4ccccc43)C[C@@H]2C1 ZINC001088186225 779764766 /nfs/dbraw/zinc/76/47/66/779764766.db2.gz NUJXEBAUASWCJW-HHXXYDBFSA-N 0 3 324.424 2.062 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@@H]2C1 ZINC001088217160 779777026 /nfs/dbraw/zinc/77/70/26/779777026.db2.gz QSZPHEXBCWXNRN-PTQIDZKGSA-N 0 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DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H]1C ZINC001088695883 780838236 /nfs/dbraw/zinc/83/82/36/780838236.db2.gz AFCSSGOKRBRELT-OLZOCXBDSA-N 0 3 304.438 2.476 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001091032168 790832427 /nfs/dbraw/zinc/83/24/27/790832427.db2.gz VJJJLJPKNAKZSF-UXUKBGGZSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ncn4ccc(C)cc34)[C@@H]2C1 ZINC001075970629 780943814 /nfs/dbraw/zinc/94/38/14/780943814.db2.gz KUEJTWPZPSQHAS-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)nn(C)c2Cl)[C@H]1C ZINC001088778582 780976869 /nfs/dbraw/zinc/97/68/69/780976869.db2.gz KIDFAWCEAPNKNQ-NEPJUHHUSA-N 0 3 310.829 2.151 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc(COC)c3)[C@@H]2C1 ZINC001076002877 781029162 /nfs/dbraw/zinc/02/91/62/781029162.db2.gz GPZIQBWZIFFLBX-ZWKOTPCHSA-N 0 3 312.413 2.003 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4[nH]nc(C)c4c3)[C@@H]2C1 ZINC001076023775 781080894 /nfs/dbraw/zinc/08/08/94/781080894.db2.gz CLZGYTNZJJDPBS-MAUKXSAKSA-N 0 3 322.412 2.041 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC001076095943 781117590 /nfs/dbraw/zinc/11/75/90/781117590.db2.gz VCKXTSDGWCGCNN-FUHWJXTLSA-N 0 3 322.412 2.205 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3coc(C(F)F)c3)[C@@H]2C1 ZINC001076182356 781158462 /nfs/dbraw/zinc/15/84/62/781158462.db2.gz AVSNLKMBULZSPD-WCQYABFASA-N 0 3 308.328 2.387 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001076294628 781205390 /nfs/dbraw/zinc/20/53/90/781205390.db2.gz VMZVSGHDZDSGEX-FUHWJXTLSA-N 0 3 307.397 2.338 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccccc3OC)[C@@H]2C1 ZINC001076489027 781284436 /nfs/dbraw/zinc/28/44/36/781284436.db2.gz YDAVLGRAMQMHND-GOEBONIOSA-N 0 3 300.402 2.418 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(OCC)cc3)[C@@H]2C1 ZINC001076518861 781291939 /nfs/dbraw/zinc/29/19/39/781291939.db2.gz ALPFHDBSHLMTNY-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)[C@@H]2C1 ZINC001076528275 781298213 /nfs/dbraw/zinc/29/82/13/781298213.db2.gz DPNSQQQKOUJTAU-XYJFISCASA-N 0 3 312.413 2.010 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001091063565 790882718 /nfs/dbraw/zinc/88/27/18/790882718.db2.gz NJJYLFCGPYNGNC-UHFFFAOYSA-N 0 3 317.220 2.222 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@H](F)C2)cc1F ZINC001126960883 781493596 /nfs/dbraw/zinc/49/35/96/781493596.db2.gz RRHUPDWPMABMPM-HIFRSBDPSA-N 0 3 321.371 2.431 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)C[C@@H]1C ZINC000947878732 783253519 /nfs/dbraw/zinc/25/35/19/783253519.db2.gz RJVHIWJJPBZJDT-GXTWGEPZSA-N 0 3 303.406 2.396 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OC)c2OC)C[C@H]1C ZINC000947970750 783280573 /nfs/dbraw/zinc/28/05/73/783280573.db2.gz BBFLSBNHLWMYFQ-ZIAGYGMSSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001089618439 783283006 /nfs/dbraw/zinc/28/30/06/783283006.db2.gz 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/nfs/dbraw/zinc/45/88/77/783458877.db2.gz LGEAEHFJLHHIPT-JKSUJKDBSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000948565392 783503617 /nfs/dbraw/zinc/50/36/17/783503617.db2.gz DXOGTKGMHRRMHR-MRXNPFEDSA-N 0 3 324.428 2.133 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2coc(OCC)n2)CC1 ZINC000948587171 783514758 /nfs/dbraw/zinc/51/47/58/783514758.db2.gz SCUVQWSBMFQOAM-CQSZACIVSA-N 0 3 319.405 2.023 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000966106167 783565536 /nfs/dbraw/zinc/56/55/36/783565536.db2.gz SZQXDTGJIDDNEU-YOEHRIQHSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC000966165982 783586819 /nfs/dbraw/zinc/58/68/19/783586819.db2.gz HVIRNJRUWNBUJN-GOEBONIOSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC(OC)C1 ZINC001085236748 783595865 /nfs/dbraw/zinc/59/58/65/783595865.db2.gz OZZCBVYXVOCGNR-NWINJMCUSA-N 0 3 300.830 2.181 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=C)Cl)cn1 ZINC001085398986 783669111 /nfs/dbraw/zinc/66/91/11/783669111.db2.gz KTBCHEMZWQTBQH-HZPDHXFCSA-N 0 3 317.820 2.446 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC000966874271 783788176 /nfs/dbraw/zinc/78/81/76/783788176.db2.gz FKDQLWAHEQCTNY-WBVHZDCISA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC000966904977 783811787 /nfs/dbraw/zinc/81/17/87/783811787.db2.gz WFHGULREPOSQFC-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC000967029209 783861535 /nfs/dbraw/zinc/86/15/35/783861535.db2.gz GCCGQPOAJXOCIH-YOEHRIQHSA-N 0 3 316.449 2.163 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnn1CC1CCC1 ZINC001085598652 783872611 /nfs/dbraw/zinc/87/26/11/783872611.db2.gz XPBABMDSALSTNR-INIZCTEOSA-N 0 3 316.449 2.406 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC001085621985 783894871 /nfs/dbraw/zinc/89/48/71/783894871.db2.gz GZKDOIFZTBLFPT-CQSZACIVSA-N 0 3 313.405 2.070 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085635668 783912633 /nfs/dbraw/zinc/91/26/33/783912633.db2.gz WJNHQCBKYOUNJJ-LBPRGKRZSA-N 0 3 310.829 2.484 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C(F)F ZINC001085645054 783922761 /nfs/dbraw/zinc/92/27/61/783922761.db2.gz HDDFCBCDAFFIHH-NSHDSACASA-N 0 3 312.364 2.080 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C2CC2)cnn1C ZINC001085637727 783925663 /nfs/dbraw/zinc/92/56/63/783925663.db2.gz XPSLLNDQCVHLQK-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1[nH]ncc1C(F)(F)F ZINC001085637605 783927327 /nfs/dbraw/zinc/92/73/27/783927327.db2.gz URRCLYGOGSNHQG-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967287808 783934176 /nfs/dbraw/zinc/93/41/76/783934176.db2.gz ISDFZTROHZCOCH-DOTOQJQBSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)nc2sccn21 ZINC001085673548 783956332 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C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)COC2 ZINC001085870808 784161142 /nfs/dbraw/zinc/16/11/42/784161142.db2.gz DUEBKWSNBYTKBN-KRWDZBQOSA-N 0 3 300.402 2.439 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000967976132 784193241 /nfs/dbraw/zinc/19/32/41/784193241.db2.gz SSWJKQWYSICDSI-BXUZGUMPSA-N 0 3 321.808 2.199 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCN2C ZINC001085912039 784206951 /nfs/dbraw/zinc/20/69/51/784206951.db2.gz UXZNKSVGLZSQSM-KRWDZBQOSA-N 0 3 313.445 2.401 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001085922844 784221980 /nfs/dbraw/zinc/22/19/80/784221980.db2.gz LGKGYOFEIXVKHO-CQSZACIVSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(N(C)C)c1 ZINC001085945882 784238456 /nfs/dbraw/zinc/23/84/56/784238456.db2.gz TUZDCIZSIQEDAQ-KRWDZBQOSA-N 0 3 301.434 2.475 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)C3CC=CC3)C2)ccc1F ZINC000968177837 784245512 /nfs/dbraw/zinc/24/55/12/784245512.db2.gz XKWOJPDZIVCVKD-MRXNPFEDSA-N 0 3 313.376 2.354 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)CC1 ZINC001066376998 784382175 /nfs/dbraw/zinc/38/21/75/784382175.db2.gz QRVXGHZMQFPLQB-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC000968483199 784414048 /nfs/dbraw/zinc/41/40/48/784414048.db2.gz DGPLRKXWGRNBQI-GDBMZVCRSA-N 0 3 318.465 2.100 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001086194829 784480345 /nfs/dbraw/zinc/48/03/45/784480345.db2.gz RWWMYPJUUQJFQQ-FRRDWIJNSA-N 0 3 322.840 2.067 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968687754 784540461 /nfs/dbraw/zinc/54/04/61/784540461.db2.gz GIHZYKAQVJBXBR-MYNMMXSPSA-N 0 3 300.446 2.128 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](CNC(=O)C3CCC3)C2)c(F)c1 ZINC001086289732 784548777 /nfs/dbraw/zinc/54/87/77/784548777.db2.gz HMQDURNODREFEN-SAZUREKKSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(C)CCN1CCCCC[C@H]1CNC(=O)c1cnns1 ZINC000968760629 784577181 /nfs/dbraw/zinc/57/71/81/784577181.db2.gz BSRXUFOCGDHWTK-ZDUSSCGKSA-N 0 3 308.451 2.479 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC000968826227 784609939 /nfs/dbraw/zinc/60/99/39/784609939.db2.gz WTVXCQMCUDEHMD-INIZCTEOSA-N 0 3 302.422 2.336 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(C)C ZINC001098185588 784613520 /nfs/dbraw/zinc/61/35/20/784613520.db2.gz XTBRPCRBLNTVTP-KFWWJZLASA-N 0 3 315.417 2.390 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC000968874661 784630312 /nfs/dbraw/zinc/63/03/12/784630312.db2.gz PCTSRLCGSDTYIU-GFCCVEGCSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(F)cncc2F)C1 ZINC001086377040 784632190 /nfs/dbraw/zinc/63/21/90/784632190.db2.gz RLYKCSVVEFRLJM-MGCOHNPYSA-N 0 3 315.751 2.210 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000968931388 784656163 /nfs/dbraw/zinc/65/61/63/784656163.db2.gz MYONXIKFGMJQPM-CYBMUJFWSA-N 0 3 302.422 2.059 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC000968928598 784657305 /nfs/dbraw/zinc/65/73/05/784657305.db2.gz PKELAZSGWDWHTD-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2nc(C)c(C)nc2C)C1 ZINC001086423048 784709447 /nfs/dbraw/zinc/70/94/47/784709447.db2.gz KZGDWUBRAMHZIP-HDJSIYSDSA-N 0 3 322.840 2.252 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCNCc1nsc2ccccc12 ZINC001155849300 784747190 /nfs/dbraw/zinc/74/71/90/784747190.db2.gz WVVPIDYNVOKWIU-LLVKDONJSA-N 0 3 302.403 2.052 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001086461916 784753158 /nfs/dbraw/zinc/75/31/58/784753158.db2.gz FNKWFUHHHHZMGG-TUVASFSCSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001086515753 784821608 /nfs/dbraw/zinc/82/16/08/784821608.db2.gz RNFIWIBCYGXFTG-FQUUOJAGSA-N 0 3 300.830 2.038 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c1 ZINC001007031201 784835740 /nfs/dbraw/zinc/83/57/40/784835740.db2.gz VAKUKFGKFQALSV-KRWDZBQOSA-N 0 3 322.412 2.323 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001007510994 784940572 /nfs/dbraw/zinc/94/05/72/784940572.db2.gz RHDRXFCSYGJWMV-LLVKDONJSA-N 0 3 310.829 2.396 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001007778000 785001455 /nfs/dbraw/zinc/00/14/55/785001455.db2.gz URXWAJWPNNWKKH-CQSZACIVSA-N 0 3 310.401 2.089 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2CCC)[C@H](O)C1 ZINC001090419077 785015851 /nfs/dbraw/zinc/01/58/51/785015851.db2.gz DFGCMIKABKGZSF-ZWKOTPCHSA-N 0 3 316.445 2.380 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001091279885 791075467 /nfs/dbraw/zinc/07/54/67/791075467.db2.gz SIXCBMMQITZLKN-WUCCLRPBSA-N 0 3 312.841 2.205 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001008120086 785112414 /nfs/dbraw/zinc/11/24/14/785112414.db2.gz JDIFJTTXMQXZKZ-OAHLLOKOSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008656444 785263777 /nfs/dbraw/zinc/26/37/77/785263777.db2.gz DHMZNOHHIZBXTH-RBUKOAKNSA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001008861541 785316830 /nfs/dbraw/zinc/31/68/30/785316830.db2.gz KLTUZWXOFLVHBC-OAHLLOKOSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001169706498 785317942 /nfs/dbraw/zinc/31/79/42/785317942.db2.gz SHBNHIHCEOOEMU-KGLIPLIRSA-N 0 3 307.442 2.107 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001008980775 785354521 /nfs/dbraw/zinc/35/45/21/785354521.db2.gz LUDNWKDZOMUYNY-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001008983127 785355059 /nfs/dbraw/zinc/35/50/59/785355059.db2.gz VDCGLBMLYKSBSW-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001008980779 785355414 /nfs/dbraw/zinc/35/54/14/785355414.db2.gz LUDNWKDZOMUYNY-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001169848435 785387769 /nfs/dbraw/zinc/38/77/69/785387769.db2.gz OPXWYOMMMLLYFA-HUUCEWRRSA-N 0 3 312.417 2.483 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001009169498 785401302 /nfs/dbraw/zinc/40/13/02/785401302.db2.gz PGCOJTMDYSVEME-MSOLQXFVSA-N 0 3 319.493 2.245 20 30 DEEDHN CC/C=C/CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108951924 785641493 /nfs/dbraw/zinc/64/14/93/785641493.db2.gz KUAUIDNYYSDQPO-QBJARXBISA-N 0 3 307.463 2.321 20 30 DEEDHN CC[C@H](SC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156634694 785789865 /nfs/dbraw/zinc/78/98/65/785789865.db2.gz SHQUVZFHZZYWES-HNNXBMFYSA-N 0 3 323.437 2.435 20 30 DEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)ns1)C2 ZINC001109304373 785799877 /nfs/dbraw/zinc/79/98/77/785799877.db2.gz YBXKICAETUVYSL-AGIUHOORSA-N 0 3 321.446 2.453 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cn1ccc(C)n1)C2 ZINC001109338461 785808671 /nfs/dbraw/zinc/80/86/71/785808671.db2.gz OVKZLDAWAWYWEO-SIXLDLHFSA-N 0 3 316.449 2.125 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001086551303 786200949 /nfs/dbraw/zinc/20/09/49/786200949.db2.gz SLQVTWICWOYTRV-JOCQHMNTSA-N 0 3 324.856 2.394 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001113024668 786372093 /nfs/dbraw/zinc/37/20/93/786372093.db2.gz XXGZNFUDHZUTIZ-CQSZACIVSA-N 0 3 305.397 2.262 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001113335330 786531300 /nfs/dbraw/zinc/53/13/00/786531300.db2.gz LQUPLXRZOZEAFB-HUUCEWRRSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC001113634674 786736256 /nfs/dbraw/zinc/73/62/56/786736256.db2.gz PWFRTRHCBVERII-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001014759531 786739540 /nfs/dbraw/zinc/73/95/40/786739540.db2.gz GYNZMOJKIMZQDA-CYBMUJFWSA-N 0 3 305.422 2.109 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC001113651263 786742688 /nfs/dbraw/zinc/74/26/88/786742688.db2.gz SHXQSKQZYKCXKI-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CCCF)C1 ZINC001014978585 786837547 /nfs/dbraw/zinc/83/75/47/786837547.db2.gz GFGRLHPWWQSAPI-AWEZNQCLSA-N 0 3 306.381 2.415 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001015273497 786971330 /nfs/dbraw/zinc/97/13/30/786971330.db2.gz XNXHOAXESSOVOQ-GOEBONIOSA-N 0 3 318.392 2.143 20 30 DEEDHN CC/C=C(\C)C(=O)NC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001113971282 787021790 /nfs/dbraw/zinc/02/17/90/787021790.db2.gz HANNWHJMKXAPAJ-VVSQFFQUSA-N 0 3 309.413 2.461 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001015468297 787071338 /nfs/dbraw/zinc/07/13/38/787071338.db2.gz TWNGPDUMVZMVGB-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)cs1 ZINC001114247234 787182652 /nfs/dbraw/zinc/18/26/52/787182652.db2.gz HCZSBUZKQPSQSE-QLPKVWCKSA-N 0 3 302.443 2.262 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001129513283 787223051 /nfs/dbraw/zinc/22/30/51/787223051.db2.gz BGCMYDQJZGLQMN-UHFFFAOYSA-N 0 3 314.414 2.127 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)CC)C1 ZINC001130418632 787392153 /nfs/dbraw/zinc/39/21/53/787392153.db2.gz TYBNDJMHDBHZAK-CYBMUJFWSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC[C@H](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130700910 787460149 /nfs/dbraw/zinc/46/01/49/787460149.db2.gz JGSXVPLIFUPBOL-HLLBOEOZSA-N 0 3 318.465 2.316 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001086656775 787540620 /nfs/dbraw/zinc/54/06/20/787540620.db2.gz QPDJRDSUIKJHGQ-WCQYABFASA-N 0 3 311.788 2.461 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2cc(OC)ns2)C1 ZINC001100171991 787546887 /nfs/dbraw/zinc/54/68/87/787546887.db2.gz SLBWTNLMTOHYGA-UHFFFAOYSA-N 0 3 309.435 2.102 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]c(C)nc31)C2 ZINC001096284496 787601643 /nfs/dbraw/zinc/60/16/43/787601643.db2.gz LHOJAGZUOZCFLU-COXVUDFISA-N 0 3 322.412 2.230 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001131407627 787614704 /nfs/dbraw/zinc/61/47/04/787614704.db2.gz IHZXZOKXBSNZBR-UHFFFAOYSA-N 0 3 314.429 2.313 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001086668307 787614933 /nfs/dbraw/zinc/61/49/33/787614933.db2.gz MIGJWJORNJBPRA-WCQYABFASA-N 0 3 306.797 2.127 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC(=C)C)C2)C1 ZINC001131650478 787672332 /nfs/dbraw/zinc/67/23/32/787672332.db2.gz VCJNVOWPZYGNRK-MJGOQNOKSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CC(C)(C)C=C)C[C@H](C)O2 ZINC001131661088 787673788 /nfs/dbraw/zinc/67/37/88/787673788.db2.gz JLEQAONUSWTKAH-LPHOPBHVSA-N 0 3 318.461 2.304 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](C)O[C@]2(CCN(CCOCC)C2)C1 ZINC001131665019 787675554 /nfs/dbraw/zinc/67/55/54/787675554.db2.gz BYGQPKNOGPTAHD-WMZOPIPTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCc2ccco2)CC[C@H]1C ZINC001131820016 787760607 /nfs/dbraw/zinc/76/06/07/787760607.db2.gz AXXVGEHODZTJHU-CVEARBPZSA-N 0 3 320.433 2.384 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCNCc1csc(C)c1 ZINC001131870359 787777757 /nfs/dbraw/zinc/77/77/57/787777757.db2.gz QZHIOPVLUAVYBQ-INIZCTEOSA-N 0 3 310.463 2.491 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccc(F)nc2)CC[C@@H]1C ZINC001131907411 787796158 /nfs/dbraw/zinc/79/61/58/787796158.db2.gz AWZVOJAIGWVAMX-ZFWWWQNUSA-N 0 3 321.396 2.006 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132061156 787909151 /nfs/dbraw/zinc/90/91/51/787909151.db2.gz PIQMKQNBVWUFID-HZPDHXFCSA-N 0 3 318.465 2.455 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cnn(C)c2C)CC[C@H]1C ZINC001132069200 787914475 /nfs/dbraw/zinc/91/44/75/787914475.db2.gz QOBJBFTVUPKXFR-RHSMWYFYSA-N 0 3 318.465 2.206 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CC[C@H](C)N(CCOCC)C1 ZINC001132105232 787932280 /nfs/dbraw/zinc/93/22/80/787932280.db2.gz CZAGVUDOHGKNHO-HOTGVXAUSA-N 0 3 319.449 2.293 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132107077 787934261 /nfs/dbraw/zinc/93/42/61/787934261.db2.gz XNFSWJSSKFLVIC-KBPBESRZSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132152689 787944922 /nfs/dbraw/zinc/94/49/22/787944922.db2.gz HRWMJMGUJHWQLY-KGLIPLIRSA-N 0 3 315.889 2.438 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132182091 787960063 /nfs/dbraw/zinc/96/00/63/787960063.db2.gz CPRPWNJYGYQLOH-STQMWFEESA-N 0 3 304.381 2.203 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCn2nc(C)cc2C)CC[C@H]1C ZINC001132210273 787965303 /nfs/dbraw/zinc/96/53/03/787965303.db2.gz FTCNYKREHYANGD-WBVHZDCISA-N 0 3 318.465 2.435 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132217595 787976736 /nfs/dbraw/zinc/97/67/36/787976736.db2.gz DNCWLWNXFSIFCD-HZPDHXFCSA-N 0 3 318.465 2.455 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cc(C)on2)CC[C@@H]1C ZINC001132296389 788016103 /nfs/dbraw/zinc/01/61/03/788016103.db2.gz QBMPQQFODFHBDA-BBRMVZONSA-N 0 3 305.422 2.461 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001132308959 788019895 /nfs/dbraw/zinc/01/98/95/788019895.db2.gz YXRCBFMTBSQPJV-OAHLLOKOSA-N 0 3 308.397 2.167 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC001132308610 788020617 /nfs/dbraw/zinc/02/06/17/788020617.db2.gz MOZFGTBQCLUFEZ-GASCZTMLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C3CC3)no1)C2 ZINC001097208939 788021494 /nfs/dbraw/zinc/02/14/94/788021494.db2.gz XLLABDHFEYKLNT-XYPHTWIQSA-N 0 3 315.417 2.392 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3nccn31)C2 ZINC001097219881 788024452 /nfs/dbraw/zinc/02/44/52/788024452.db2.gz OYPTVBPMZIWICW-WCVJEAGWSA-N 0 3 314.433 2.058 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001097224418 788027112 /nfs/dbraw/zinc/02/71/12/788027112.db2.gz LCCJIVHZWLWXPH-KFWWJZLASA-N 0 3 305.397 2.369 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2nc(C3CC3)no2)CC[C@H]1C ZINC001132340667 788037153 /nfs/dbraw/zinc/03/71/53/788037153.db2.gz WYKWSPAZWMGJHS-TZMCWYRMSA-N 0 3 318.421 2.035 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccsc2)CC[C@@H]1C ZINC001132430191 788070640 /nfs/dbraw/zinc/07/06/40/788070640.db2.gz ULTTZCRGJQIKON-UONOGXRCSA-N 0 3 306.431 2.119 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccsc2)CC[C@@H]1C ZINC001132430189 788071189 /nfs/dbraw/zinc/07/11/89/788071189.db2.gz ULTTZCRGJQIKON-KBPBESRZSA-N 0 3 306.431 2.119 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccccc2)CC[C@H]1C ZINC001132452060 788084501 /nfs/dbraw/zinc/08/45/01/788084501.db2.gz AIKTVDHIXYZROC-HZPDHXFCSA-N 0 3 300.402 2.058 20 30 DEEDHN C[C@@]1(C(=O)NCCNCc2ccc(C#N)c(F)c2)C=CCC1 ZINC001132502600 788102017 /nfs/dbraw/zinc/10/20/17/788102017.db2.gz ZFHGJHXABFTZDO-QGZVFWFLSA-N 0 3 301.365 2.259 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCC(=O)N(CC)CC)CC[C@H]1C ZINC001132505720 788108620 /nfs/dbraw/zinc/10/86/20/788108620.db2.gz UYPAAXKXWLDREU-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001132564616 788132431 /nfs/dbraw/zinc/13/24/31/788132431.db2.gz HCVFKDYJDKQQQM-STQMWFEESA-N 0 3 308.397 2.498 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132574145 788135743 /nfs/dbraw/zinc/13/57/43/788135743.db2.gz WIFDNBHARFJCBX-KBPBESRZSA-N 0 3 306.454 2.302 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001132667906 788161219 /nfs/dbraw/zinc/16/12/19/788161219.db2.gz WGQRPRLKALLFGD-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN CCCc1[nH]ccc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001132690971 788167075 /nfs/dbraw/zinc/16/70/75/788167075.db2.gz YBDDJTYPTGBTAM-UHFFFAOYSA-N 0 3 316.430 2.420 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@H](CNCc2cnns2)C1 ZINC001132700172 788172564 /nfs/dbraw/zinc/17/25/64/788172564.db2.gz DDDFXSAOKHXWTI-QWHCGFSZSA-N 0 3 308.451 2.079 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccco3)n[nH]1)C2 ZINC001097903715 788266012 /nfs/dbraw/zinc/26/60/12/788266012.db2.gz QPOTWAGKUWPGLZ-IOASZLSFSA-N 0 3 324.384 2.028 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC001133154593 788297653 /nfs/dbraw/zinc/29/76/53/788297653.db2.gz LNVDPHAXCNPTEI-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001133383196 788393534 /nfs/dbraw/zinc/39/35/34/788393534.db2.gz KEACTUSVDNRKQB-QAPCUYQASA-N 0 3 323.481 2.108 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)C1CC1)NCc1cc(F)ccc1C#N ZINC001133441972 788423387 /nfs/dbraw/zinc/42/33/87/788423387.db2.gz FPDMPJZNYOCCDB-VXGBXAGGSA-N 0 3 303.381 2.480 20 30 DEEDHN CC(C)C1(C(=O)NCCNCc2ccc(C#N)c(F)c2)CC1 ZINC001133557130 788486008 /nfs/dbraw/zinc/48/60/08/788486008.db2.gz UKQDVBBBUYUBRM-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CSC ZINC001133640117 788530359 /nfs/dbraw/zinc/53/03/59/788530359.db2.gz FKGNIACBYDSESS-NXEZZACHSA-N 0 3 309.273 2.131 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccccc13)C2 ZINC001098055692 788548612 /nfs/dbraw/zinc/54/86/12/788548612.db2.gz MUBFPYXLEQYDDE-UNEWFSDZSA-N 0 3 310.401 2.246 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001133912776 788666131 /nfs/dbraw/zinc/66/61/31/788666131.db2.gz GXXKPCZQCJPJIH-CABCVRRESA-N 0 3 322.453 2.040 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)COCCC ZINC001133899989 788670644 /nfs/dbraw/zinc/67/06/44/788670644.db2.gz BSDPGZJFWRNASK-VXGBXAGGSA-N 0 3 321.259 2.195 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)C#CC1CC1)NCc1ccccc1C#N ZINC001134318521 788863940 /nfs/dbraw/zinc/86/39/40/788863940.db2.gz TUMOGYDKEUAIPP-CABCVRRESA-N 0 3 309.413 2.345 20 30 DEEDHN CCc1nocc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134341984 788868947 /nfs/dbraw/zinc/86/89/47/788868947.db2.gz XETIVEQTCBEWCI-KBPBESRZSA-N 0 3 305.422 2.269 20 30 DEEDHN Cc1cc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)nn1C ZINC001134328922 788874583 /nfs/dbraw/zinc/87/45/83/788874583.db2.gz HEXAVZMIIRYMEE-ZIAGYGMSSA-N 0 3 318.465 2.151 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001134428294 788916496 /nfs/dbraw/zinc/91/64/96/788916496.db2.gz HMPACEAKAGYAPR-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)c1cc[nH]c1 ZINC001134448204 788925957 /nfs/dbraw/zinc/92/59/57/788925957.db2.gz LSAKMRYEJTYBNN-MNOVXSKESA-N 0 3 314.227 2.410 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1C ZINC001134449596 788927918 /nfs/dbraw/zinc/92/79/18/788927918.db2.gz VOCHPLNTBIJZHM-KGLIPLIRSA-N 0 3 306.454 2.395 20 30 DEEDHN C[C@H]1CC[C@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001134738087 789055659 /nfs/dbraw/zinc/05/56/59/789055659.db2.gz GHKIPSXRDHAIPK-JSGCOSHPSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCCC(=O)NC1(CC)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001069450376 789056241 /nfs/dbraw/zinc/05/62/41/789056241.db2.gz UPMDXCATOCDNPV-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001134923147 789132659 /nfs/dbraw/zinc/13/26/59/789132659.db2.gz SZOCALULVCPREG-QWHCGFSZSA-N 0 3 313.401 2.201 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1C ZINC001135316210 789286734 /nfs/dbraw/zinc/28/67/34/789286734.db2.gz DJZLZZIEKQYVGH-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(OC)no1 ZINC001135358079 789299071 /nfs/dbraw/zinc/29/90/71/789299071.db2.gz MHSDLYAZVNGTTQ-OLZOCXBDSA-N 0 3 309.410 2.412 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001070414013 789316061 /nfs/dbraw/zinc/31/60/61/789316061.db2.gz CIKUNPNRLKGELD-DGCLKSJQSA-N 0 3 324.375 2.047 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001070421358 789320261 /nfs/dbraw/zinc/32/02/61/789320261.db2.gz IGLRNMBQKCYNTQ-KBXIAJHMSA-N 0 3 314.433 2.047 20 30 DEEDHN COCC#CCNCCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001135405353 789320773 /nfs/dbraw/zinc/32/07/73/789320773.db2.gz HKUCSDLAAMQLGE-JKSUJKDBSA-N 0 3 308.466 2.195 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1ccnnc1)NCc1ccccc1C#N ZINC001135539864 789387586 /nfs/dbraw/zinc/38/75/86/789387586.db2.gz GOFOPZYGROWMAF-KBPBESRZSA-N 0 3 323.400 2.035 20 30 DEEDHN C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001135588849 789412833 /nfs/dbraw/zinc/41/28/33/789412833.db2.gz GAIYKNPCSLCALO-VXGBXAGGSA-N 0 3 314.389 2.008 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001086746177 789415487 /nfs/dbraw/zinc/41/54/87/789415487.db2.gz KGVYCHYOBIARBE-QWHCGFSZSA-N 0 3 308.813 2.026 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001070794209 789458524 /nfs/dbraw/zinc/45/85/24/789458524.db2.gz BPNYDLLPQPQBAN-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)c1ccccc1)C[C@H](C)O2 ZINC001071127983 789541511 /nfs/dbraw/zinc/54/15/11/789541511.db2.gz WXQGGTNMGLIQOA-QFBILLFUSA-N 0 3 312.413 2.015 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)c1cccs1)C[C@@H](C)O2 ZINC001071129043 789542439 /nfs/dbraw/zinc/54/24/39/789542439.db2.gz DKCPYQPXWTWXAO-PBHICJAKSA-N 0 3 318.442 2.077 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001071141425 789554070 /nfs/dbraw/zinc/55/40/70/789554070.db2.gz FFFNWOWTZNGRQX-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(C1)CN(C(=O)C#CC1CC1)C[C@@H](C)O2 ZINC001071167462 789571933 /nfs/dbraw/zinc/57/19/33/789571933.db2.gz ZGVXWRRMQPCRBX-VQIMIIECSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(C3CC3)CC1)C[C@@H](C)O2 ZINC001071178520 789578346 /nfs/dbraw/zinc/57/83/46/789578346.db2.gz QVKNIOJNQOJSKB-QAPCUYQASA-N 0 3 318.461 2.445 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C)CC=CC1)C[C@H](C)O2 ZINC001071208906 789593455 /nfs/dbraw/zinc/59/34/55/789593455.db2.gz BMSHIWKGMOZWAY-QFBILLFUSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001071260706 789614406 /nfs/dbraw/zinc/61/44/06/789614406.db2.gz DKSOEVSQDAKEQQ-VKJFTORMSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H]1C[C@]1(Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(=O)OCC ZINC001170922366 789660252 /nfs/dbraw/zinc/66/02/52/789660252.db2.gz KHMVKWUPXSVUHO-BLLLJJGKSA-N 0 3 317.345 2.118 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3ccccc3n2)CC[C@@H]1C ZINC001071568226 789786188 /nfs/dbraw/zinc/78/61/88/789786188.db2.gz KVLJKTOQFNIFKF-LSDHHAIUSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nccc3cccnc32)CC[C@H]1C ZINC001071576359 789790332 /nfs/dbraw/zinc/79/03/32/789790332.db2.gz DMEZFTFMACNFIW-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3[nH]ccc3c2)CC[C@H]1C ZINC001071590513 789798961 /nfs/dbraw/zinc/79/89/61/789798961.db2.gz FQQNQNPARSNGLQ-CZUORRHYSA-N 0 3 310.401 2.121 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2nc(C)sc2C)CC[C@H]1C ZINC001071610544 789813626 /nfs/dbraw/zinc/81/36/26/789813626.db2.gz UVXQZNPXFMOMIG-IUODEOHRSA-N 0 3 319.474 2.295 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(C)n3ccccc23)CC[C@@H]1C ZINC001071685520 789863821 /nfs/dbraw/zinc/86/38/21/789863821.db2.gz CVULQFXDOKCKOU-GOEBONIOSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3ccncc3n2)CC[C@H]1C ZINC001071689762 789866734 /nfs/dbraw/zinc/86/67/34/789866734.db2.gz PNVBENICABHLGF-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnc3ccncc32)CC[C@H]1C ZINC001071705021 789877990 /nfs/dbraw/zinc/87/79/90/789877990.db2.gz JNJAEDBTYIURGT-HUUCEWRRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ncccc2F)CC[C@H]1C ZINC001071766072 789909468 /nfs/dbraw/zinc/90/94/68/789909468.db2.gz PMZANZXBVKPYGG-KGLIPLIRSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccncc2Cl)CC[C@H]1C ZINC001071844932 789940523 /nfs/dbraw/zinc/94/05/23/789940523.db2.gz VGTYDWXERZHIJZ-OLZOCXBDSA-N 0 3 305.809 2.341 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(CCC)c2)CC[C@@H]1C ZINC001071861105 789947501 /nfs/dbraw/zinc/94/75/01/789947501.db2.gz NQIWESPGDMJKHN-HOCLYGCPSA-N 0 3 304.438 2.452 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)nc2OC)CC[C@H]1C ZINC001071881519 789956207 /nfs/dbraw/zinc/95/62/07/789956207.db2.gz ZDTHHJUCSJKIBS-CABCVRRESA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)COC3)CC[C@H]1C ZINC001071886330 789959213 /nfs/dbraw/zinc/95/92/13/789959213.db2.gz BMFGQQSERPBYDG-RDTXWAMCSA-N 0 3 312.413 2.323 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(OC)c2F)CC[C@H]1C ZINC001071924036 789974422 /nfs/dbraw/zinc/97/44/22/789974422.db2.gz QZPXGZBSCATEIE-KGLIPLIRSA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OC)n2)CC[C@@H]1C ZINC001071953907 789985975 /nfs/dbraw/zinc/98/59/75/789985975.db2.gz HEIZSQWRUMHIES-KBPBESRZSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CC[C@H]1C ZINC001071961649 789989498 /nfs/dbraw/zinc/98/94/98/789989498.db2.gz UDSGTBCGKYQATD-HUUCEWRRSA-N 0 3 317.433 2.232 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)CC[C@@H]1C ZINC001071967350 789992220 /nfs/dbraw/zinc/99/22/20/789992220.db2.gz LQJIUXULZYWIBZ-ZFWWWQNUSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(N(C)C)c2)CC[C@H]1C ZINC001072029932 790019994 /nfs/dbraw/zinc/01/99/94/790019994.db2.gz KGPJMCOGIMMZPW-NVXWUHKLSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072129520 790064292 /nfs/dbraw/zinc/06/42/92/790064292.db2.gz LYYYLFFYKBVTFY-WBVHZDCISA-N 0 3 313.445 2.430 20 30 DEEDHN C[C@H]1CCN(C(=O)C(F)F)C[C@@H]1CNCc1ccccc1C#N ZINC001072150284 790070552 /nfs/dbraw/zinc/07/05/52/790070552.db2.gz VXJURWGCOKNOQD-WFASDCNBSA-N 0 3 321.371 2.398 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(CCc1ccccc1F)C2 ZINC001072551360 790174820 /nfs/dbraw/zinc/17/48/20/790174820.db2.gz FDSYDLQELUJLGW-AWEZNQCLSA-N 0 3 315.392 2.062 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)n3ccnc3CC)C2)C1 ZINC001072752663 790237776 /nfs/dbraw/zinc/23/77/76/790237776.db2.gz WAHZFRCVELBJIE-HNNXBMFYSA-N 0 3 316.449 2.117 20 30 DEEDHN N#CCCOc1ccc(NC(=N)c2ccc(C(N)=O)cc2)cc1 ZINC001171258482 791170986 /nfs/dbraw/zinc/17/09/86/791170986.db2.gz AOCLSQBUKOVLMS-UHFFFAOYSA-N 0 3 308.341 2.115 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001074570084 791233486 /nfs/dbraw/zinc/23/34/86/791233486.db2.gz KYJADBBNTBBSPN-ZETOZRRWSA-N 0 3 307.344 2.203 20 30 DEEDHN CCCc1cc(C(=O)NCCNCc2cccc(C#N)c2)no1 ZINC001146288978 791255491 /nfs/dbraw/zinc/25/54/91/791255491.db2.gz MQXGSXPIUNOUME-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001074795899 791307594 /nfs/dbraw/zinc/30/75/94/791307594.db2.gz LTXODKWAUGJMIC-BVIHXZOGSA-N 0 3 303.431 2.355 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001075139979 791479380 /nfs/dbraw/zinc/47/93/80/791479380.db2.gz RLJITSKNVUIYOR-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3c(C)coc3C)C[C@]2(C)C1 ZINC001091642048 791583690 /nfs/dbraw/zinc/58/36/90/791583690.db2.gz NGXLWGIORAFCOE-QAPCUYQASA-N 0 3 300.402 2.314 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3ccoc3)n[nH]1)C2 ZINC001098403812 791623651 /nfs/dbraw/zinc/62/36/51/791623651.db2.gz TWUPOQCAFYLRPL-UNEWFSDZSA-N 0 3 324.384 2.028 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cccc(C)c3O1)C2 ZINC001098531620 791648453 /nfs/dbraw/zinc/64/84/53/791648453.db2.gz LDXQIFUEBUXUCB-ZJPYXAASSA-N 0 3 324.424 2.043 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc(C)co1)C[C@@H](C)O2 ZINC001098627211 791666032 /nfs/dbraw/zinc/66/60/32/791666032.db2.gz LOZBAPHQURVMRB-OAHLLOKOSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1CC)C[C@@H](C)O2 ZINC001098639209 791667400 /nfs/dbraw/zinc/66/74/00/791667400.db2.gz NOHIMZRDLPICMJ-BZUAXINKSA-N 0 3 306.450 2.300 20 30 DEEDHN COc1cc(C)ccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001148461047 791749980 /nfs/dbraw/zinc/74/99/80/791749980.db2.gz JBDJHDULUYPROZ-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN CCCCCCCCCCC(=O)NCCNCC(=O)NCC ZINC001148764251 791802118 /nfs/dbraw/zinc/80/21/18/791802118.db2.gz QMHWFNBFHMZZSC-UHFFFAOYSA-N 0 3 313.486 2.359 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(C)noc3C(C)C)C[C@]2(C)C1 ZINC001091755203 791816363 /nfs/dbraw/zinc/81/63/63/791816363.db2.gz 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DEEDHN CC(C)COCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098981400 792015362 /nfs/dbraw/zinc/01/53/62/792015362.db2.gz BZKSHZLDWQNIGB-HOTGVXAUSA-N 0 3 323.481 2.425 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001099007772 792033349 /nfs/dbraw/zinc/03/33/49/792033349.db2.gz YZPLPNBNNGEGMG-HQRMLTQVSA-N 0 3 308.425 2.320 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccn(CC)n1 ZINC001099084690 792083680 /nfs/dbraw/zinc/08/36/80/792083680.db2.gz DNRHEMHPVYHLBI-MRXNPFEDSA-N 0 3 318.465 2.238 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3ccncc3s2)[C@H](C)C1 ZINC001092680405 792111158 /nfs/dbraw/zinc/11/11/58/792111158.db2.gz ZSWIIVKAOMUUIL-TZMCWYRMSA-N 0 3 313.426 2.227 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)COC ZINC001099145119 792113753 /nfs/dbraw/zinc/11/37/53/792113753.db2.gz QQHVJBIVKQTCBO-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2csc(C)n2)C1 ZINC001099151269 792116496 /nfs/dbraw/zinc/11/64/96/792116496.db2.gz 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ZINC001099569868 792246189 /nfs/dbraw/zinc/24/61/89/792246189.db2.gz HDZKMKLPPDONSO-LBPRGKRZSA-N 0 3 320.355 2.112 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C[C@@H]1O ZINC001099727596 792332200 /nfs/dbraw/zinc/33/22/00/792332200.db2.gz QZGSXXSJPDMBJV-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001093375782 792348015 /nfs/dbraw/zinc/34/80/15/792348015.db2.gz CDTFVMPSPXVEJV-CVEARBPZSA-N 0 3 306.425 2.461 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099849852 792381330 /nfs/dbraw/zinc/38/13/30/792381330.db2.gz KBBCDBJRBHUACS-DLBZAZTESA-N 0 3 316.445 2.340 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001100092512 792470097 /nfs/dbraw/zinc/47/00/97/792470097.db2.gz ONDCJKZIXIGWOU-NEPJUHHUSA-N 0 3 322.371 2.093 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCC2CCCC2)[C@H](O)C1 ZINC001100129753 792480912 /nfs/dbraw/zinc/48/09/12/792480912.db2.gz RMBXWBWCTGDNBH-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001099926608 792481546 /nfs/dbraw/zinc/48/15/46/792481546.db2.gz PTONWLZMKMTBOD-MSOLQXFVSA-N 0 3 320.477 2.312 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100284640 792564055 /nfs/dbraw/zinc/56/40/55/792564055.db2.gz YQWAPILEXSKGNZ-UHFFFAOYSA-N 0 3 305.447 2.239 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001100500433 792689330 /nfs/dbraw/zinc/68/93/30/792689330.db2.gz LYSLYOYYEJPJGK-JXQTWKCFSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100594834 792739199 /nfs/dbraw/zinc/73/91/99/792739199.db2.gz GYISOWSUSWFSAA-IUDNXUCKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccc(OC)cc2)C1 ZINC001100911537 792914314 /nfs/dbraw/zinc/91/43/14/792914314.db2.gz YEKGUHUIPCJNJR-UHFFFAOYSA-N 0 3 322.836 2.475 20 30 DEEDHN CCN(C)C(C)(C)C(=O)NCCCNc1cccc(F)c1C#N ZINC001094639819 793034652 /nfs/dbraw/zinc/03/46/52/793034652.db2.gz CIWGDYDSCLKSNJ-UHFFFAOYSA-N 0 3 320.412 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/nfs/dbraw/zinc/56/63/43/794566343.db2.gz DERUWXDKMINSNL-AAVRWANBSA-N 0 3 316.367 2.425 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCCCCNCc1cc(C2CC2)no1 ZINC001178053020 794806962 /nfs/dbraw/zinc/80/69/62/794806962.db2.gz NOUIWWLTCVGHGE-ZDUSSCGKSA-N 0 3 318.421 2.478 20 30 DEEDHN CC(C)(C(=O)NCC1(NCC#N)CCCCC1)N1CCCCC1 ZINC001115538348 794813251 /nfs/dbraw/zinc/81/32/51/794813251.db2.gz DJCDQSUDTNLOKC-UHFFFAOYSA-N 0 3 320.481 2.183 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(CO)ccc2F)[C@@H]1C ZINC001178311843 794896787 /nfs/dbraw/zinc/89/67/87/794896787.db2.gz LLSMPJPUCMLOHE-GUYCJALGSA-N 0 3 320.408 2.363 20 30 DEEDHN Cc1ncc(CNCCCCCCNC(=O)C#CC(C)C)o1 ZINC001178418630 794922554 /nfs/dbraw/zinc/92/25/54/794922554.db2.gz DYMFJXZXKGFWAU-UHFFFAOYSA-N 0 3 305.422 2.409 20 30 DEEDHN Cc1ncsc1CN[C@H]1CCN(C(=O)C#CC(C)C)[C@H]1C ZINC001178649245 794963816 /nfs/dbraw/zinc/96/38/16/794963816.db2.gz ZLPOZOLHKUHJGX-KBPBESRZSA-N 0 3 305.447 2.190 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccns2)CCN1C(=O)C#CC(C)(C)C ZINC001178675400 794970837 /nfs/dbraw/zinc/97/08/37/794970837.db2.gz OFRSHPQQPCHRIJ-JSGCOSHPSA-N 0 3 305.447 2.272 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001116619011 794972815 /nfs/dbraw/zinc/97/28/15/794972815.db2.gz GYPPDBOGIZZPKA-IAGOWNOFSA-N 0 3 319.449 2.352 20 30 DEEDHN C=C[C@H](COC)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001116619482 794973193 /nfs/dbraw/zinc/97/31/93/794973193.db2.gz OPIFSMMQRSWDIE-MRXNPFEDSA-N 0 3 309.454 2.095 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NCC(C)C)[C@@H]1C ZINC001178805282 794999919 /nfs/dbraw/zinc/99/99/19/794999919.db2.gz AWNNBZZEEKMPFR-PMPSAXMXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001179384237 795110522 /nfs/dbraw/zinc/11/05/22/795110522.db2.gz HIHSCOYTIYRBIV-DZKIICNBSA-N 0 3 304.438 2.101 20 30 DEEDHN C#C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001118401713 795184728 /nfs/dbraw/zinc/18/47/28/795184728.db2.gz XQWWVDUMCYQSMG-MRXNPFEDSA-N 0 3 315.436 2.423 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCCCCCNCc1cnc(C)o1 ZINC001180432955 795295564 /nfs/dbraw/zinc/29/55/64/795295564.db2.gz ABKORYFDEABMQO-AWEZNQCLSA-N 0 3 323.437 2.340 20 30 DEEDHN C#CCSCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001119524262 795317373 /nfs/dbraw/zinc/31/73/73/795317373.db2.gz IPLIHHASOZOVGL-GDBMZVCRSA-N 0 3 302.443 2.132 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC001119694281 795340294 /nfs/dbraw/zinc/34/02/94/795340294.db2.gz GSKKLQLGMKYWDY-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cncn2C)CCCCC1 ZINC001120009714 795388504 /nfs/dbraw/zinc/38/85/04/795388504.db2.gz DFFJEMZEKOLVOE-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN COCCN(C(=O)CC1(C#N)CCCCC1)C1CCN(C)CC1 ZINC001181354244 795461296 /nfs/dbraw/zinc/46/12/96/795461296.db2.gz OKRWUPQGSSDWEK-UHFFFAOYSA-N 0 3 321.465 2.420 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)N[C@H](C)CCC(C)C)C1 ZINC001181543088 795490462 /nfs/dbraw/zinc/49/04/62/795490462.db2.gz LAZUTQGJZZWRSZ-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CC2(CC(NC/C(Cl)=C\Cl)C2)C1 ZINC001120854341 795544399 /nfs/dbraw/zinc/54/43/99/795544399.db2.gz PMZQQVYQLONJCS-MEKFYVLASA-N 0 3 316.232 2.482 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC001121969934 795710896 /nfs/dbraw/zinc/71/08/96/795710896.db2.gz ZZEYZNVGSJISDZ-HUUCEWRRSA-N 0 3 311.470 2.178 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@](C)(C(=O)OCC)c1ccccc1 ZINC001122136684 795729978 /nfs/dbraw/zinc/72/99/78/795729978.db2.gz BXDQQAQOELOJCZ-MAUKXSAKSA-N 0 3 318.417 2.265 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@](C)(C(=O)OCC)c1ccccc1 ZINC001122136686 795729997 /nfs/dbraw/zinc/72/99/97/795729997.db2.gz BXDQQAQOELOJCZ-YJBOKZPZSA-N 0 3 318.417 2.265 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1cc(Cl)nnc1Cl ZINC001183027379 795792659 /nfs/dbraw/zinc/79/26/59/795792659.db2.gz OWRSJSRTYWUVKS-UHFFFAOYSA-N 0 3 301.177 2.374 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)CCC1CCCC1 ZINC001122879507 795813578 /nfs/dbraw/zinc/81/35/78/795813578.db2.gz YQWOJZSWNRCPPK-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2conc2C2CCCC2)C1 ZINC001183177441 795816297 /nfs/dbraw/zinc/81/62/97/795816297.db2.gz FLVCIAAUWQDBMJ-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=O)C3(c4ccccc4C#N)CC3)C[C@@H]21 ZINC001183293056 795846197 /nfs/dbraw/zinc/84/61/97/795846197.db2.gz JFMXXQMGDDQQHV-WBVHZDCISA-N 0 3 309.413 2.142 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@H]2C=CCC2)cc1F ZINC001123321570 795891863 /nfs/dbraw/zinc/89/18/63/795891863.db2.gz CKZRMVMAWIWJOM-ZDUSSCGKSA-N 0 3 301.365 2.259 20 30 DEEDHN COc1ccc(CNCCNC(=O)C[C@@H]2C=CCC2)cc1C#N ZINC001123322884 795892560 /nfs/dbraw/zinc/89/25/60/795892560.db2.gz LAZIUJHTNAOSEN-CQSZACIVSA-N 0 3 313.401 2.129 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C#N)Cc2ccc(O)cc2)c(C#N)c1 ZINC001183615450 795907316 /nfs/dbraw/zinc/90/73/16/795907316.db2.gz FCCHCFVNTVQNST-OAHLLOKOSA-N 0 3 316.320 2.457 20 30 DEEDHN Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N[C@@]1(C)CCCN(C)C1 ZINC001183892444 795950842 /nfs/dbraw/zinc/95/08/42/795950842.db2.gz RYYLRMGEOKBXJJ-IBGZPJMESA-N 0 3 324.428 2.491 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2nccn2CC)[C@H](C)C1 ZINC001184020176 795974346 /nfs/dbraw/zinc/97/43/46/795974346.db2.gz NDPWUWAYBGFTIX-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001123860858 795989016 /nfs/dbraw/zinc/98/90/16/795989016.db2.gz GOOUDSQOUURNTF-IAGOWNOFSA-N 0 3 306.450 2.249 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2nccn2C)[C@@H](C)C1 ZINC001184496844 796065385 /nfs/dbraw/zinc/06/53/85/796065385.db2.gz GIZOHGUFAYPDOA-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202909097 796342751 /nfs/dbraw/zinc/34/27/51/796342751.db2.gz DGBHBLRRHDDXLW-GJZGRUSLSA-N 0 3 315.442 2.074 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnc(OC(C)C)c1 ZINC001139870148 796439608 /nfs/dbraw/zinc/43/96/08/796439608.db2.gz ZTLLRIZPXFWASH-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN CN1CCC2(CCN(Cc3cc(F)cc(C#N)c3)CC2)C1=O ZINC001139878577 796440179 /nfs/dbraw/zinc/44/01/79/796440179.db2.gz OMAVMAKLVMXFAC-UHFFFAOYSA-N 0 3 301.365 2.142 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H](Oc4ncccn4)C3)c2c1 ZINC001140117042 796478990 /nfs/dbraw/zinc/47/89/90/796478990.db2.gz KRFSLLMOQUNDQF-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001187106098 796482396 /nfs/dbraw/zinc/48/23/96/796482396.db2.gz BGNBMYUSRNNVDU-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cccc(F)n2)CC1 ZINC001140135517 796482785 /nfs/dbraw/zinc/48/27/85/796482785.db2.gz JFDGSMVVOFEECC-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001187161400 796490098 /nfs/dbraw/zinc/49/00/98/796490098.db2.gz NVONUCHMNUATTF-MRXNPFEDSA-N 0 3 309.413 2.233 20 30 DEEDHN COCC#CC(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001187128251 796491181 /nfs/dbraw/zinc/49/11/81/796491181.db2.gz MULORVWTMTVJQV-WMZOPIPTSA-N 0 3 314.429 2.005 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H]2CN(Cc3ccc(C)cc3)C[C@H]21 ZINC001187296906 796520012 /nfs/dbraw/zinc/52/00/12/796520012.db2.gz USZXXTCKSCJPAL-ZWKOTPCHSA-N 0 3 314.429 2.230 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)C1 ZINC001187501360 796544276 /nfs/dbraw/zinc/54/42/76/796544276.db2.gz XTMVKEAROCZBFT-DAWZGUTISA-N 0 3 318.461 2.043 20 30 DEEDHN Cc1c(CN2CCC(C#N)CC2)c(=O)n(-c2ccccc2)n1C ZINC001140843094 796581360 /nfs/dbraw/zinc/58/13/60/796581360.db2.gz FMMNXLVTKSJRSV-UHFFFAOYSA-N 0 3 310.401 2.220 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(OCCCC)cc2)C1 ZINC001187780127 796584531 /nfs/dbraw/zinc/58/45/31/796584531.db2.gz JXYWVQHFCUQPTO-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001188009466 796613894 /nfs/dbraw/zinc/61/38/94/796613894.db2.gz HBKOQARQPGNGLK-GOSISDBHSA-N 0 3 312.413 2.018 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001188243023 796642616 /nfs/dbraw/zinc/64/26/16/796642616.db2.gz HOULMBWIIFNTOI-IUODEOHRSA-N 0 3 302.805 2.194 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001188224130 796645703 /nfs/dbraw/zinc/64/57/03/796645703.db2.gz IXKARCARQBHFRQ-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001188414742 796667711 /nfs/dbraw/zinc/66/77/11/796667711.db2.gz XLCNPPCYOXFDQY-GFCCVEGCSA-N 0 3 302.340 2.323 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001188483148 796672723 /nfs/dbraw/zinc/67/27/23/796672723.db2.gz NBXQGACZZZDXMQ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc3c2OCC3(C)C)C1 ZINC001188474845 796675146 /nfs/dbraw/zinc/67/51/46/796675146.db2.gz GXOLHPVKFMRZHZ-CQSZACIVSA-N 0 3 312.413 2.184 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001188536423 796683745 /nfs/dbraw/zinc/68/37/45/796683745.db2.gz ZIYOSDLMYPJIJR-YLFCFFPRSA-N 0 3 320.477 2.404 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001188651589 796696704 /nfs/dbraw/zinc/69/67/04/796696704.db2.gz IMAPDFLLUAXJAV-CQSZACIVSA-N 0 3 308.447 2.405 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C/C=C(/C)C=C)[C@@H]2C1 ZINC001188855943 796734954 /nfs/dbraw/zinc/73/49/54/796734954.db2.gz KDLJQFKGIREUTK-AKLXSSKXSA-N 0 3 304.434 2.244 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)CCOC[C@H]2CCCCO2)C1 ZINC001189317779 796807467 /nfs/dbraw/zinc/80/74/67/796807467.db2.gz DOGCJDMNWYLSNR-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCC1(C(=O)NC[C@H]2CN(CC=C(C)C)CCCO2)CCC1 ZINC001149835727 796899449 /nfs/dbraw/zinc/89/94/49/796899449.db2.gz ORPUUGHRIWQMBA-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccoc2CC)C1 ZINC001189926195 796904470 /nfs/dbraw/zinc/90/44/70/796904470.db2.gz MCEHAGAZLFLNIP-AWEZNQCLSA-N 0 3 306.406 2.191 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)c2ccco2)C1 ZINC001150318880 796935177 /nfs/dbraw/zinc/93/51/77/796935177.db2.gz VMUOZKOXKMREFT-GJZGRUSLSA-N 0 3 306.406 2.166 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150411098 796941789 /nfs/dbraw/zinc/94/17/89/796941789.db2.gz UAVMCZONCNMPHA-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001150596365 796958842 /nfs/dbraw/zinc/95/88/42/796958842.db2.gz LDUKEUWEBRLCBM-JKSUJKDBSA-N 0 3 318.417 2.004 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCc2ccccc2)C1 ZINC001150647020 796965158 /nfs/dbraw/zinc/96/51/58/796965158.db2.gz VQWXPQSEKGKNAG-GOSISDBHSA-N 0 3 316.445 2.402 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H](C)SC)CC1 ZINC001150970913 796996621 /nfs/dbraw/zinc/99/66/21/796996621.db2.gz SUFQNFPVQWJPTK-CQSZACIVSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001190937278 797108086 /nfs/dbraw/zinc/10/80/86/797108086.db2.gz SUCWSJNEXCQFES-IUIKQTSFSA-N 0 3 306.406 2.026 20 30 DEEDHN CCOCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152333875 797172501 /nfs/dbraw/zinc/17/25/01/797172501.db2.gz QNAYOWRSHVJCGK-OAHLLOKOSA-N 0 3 317.433 2.311 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450344 797189188 /nfs/dbraw/zinc/18/91/88/797189188.db2.gz YJIWDYVYMRDBME-QWHCGFSZSA-N 0 3 316.380 2.184 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001191491217 797208964 /nfs/dbraw/zinc/20/89/64/797208964.db2.gz WLSARPGPMQSZAI-DFGXFYAUSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H]2CCCc3ccccc32)C[C@H]1O ZINC001191645939 797240221 /nfs/dbraw/zinc/24/02/21/797240221.db2.gz SPGOHVVKNRUJRF-KZNAEPCWSA-N 0 3 314.429 2.192 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H]2CCCc3ccccc32)C[C@H]1O ZINC001191645936 797240474 /nfs/dbraw/zinc/24/04/74/797240474.db2.gz SPGOHVVKNRUJRF-FGTMMUONSA-N 0 3 314.429 2.192 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001153116002 797288226 /nfs/dbraw/zinc/28/82/26/797288226.db2.gz BWHCQHQBHXXHRP-UHFFFAOYSA-N 0 3 322.836 2.433 20 30 DEEDHN CCN(CCc1csc(C)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207582 797300203 /nfs/dbraw/zinc/30/02/03/797300203.db2.gz LELCYGDXZDLMOS-CQSZACIVSA-N 0 3 321.490 2.480 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC2CCC2)C1 ZINC001192154755 797328247 /nfs/dbraw/zinc/32/82/47/797328247.db2.gz GUVFEPOBGHTAHH-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N[C@H](C)CC)CCCCC1 ZINC001152010056 797339010 /nfs/dbraw/zinc/33/90/10/797339010.db2.gz ADKJOWHIBJQSLV-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)N[C@@H](C)CC)CCCC1 ZINC001153809073 797400470 /nfs/dbraw/zinc/40/04/70/797400470.db2.gz AJWSVCFBCDHYPN-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001153998147 797440019 /nfs/dbraw/zinc/44/00/19/797440019.db2.gz KQIQLMVJBJDJTH-SJORKVTESA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cccc2cccnc21 ZINC001154533119 797555407 /nfs/dbraw/zinc/55/54/07/797555407.db2.gz MGPQFBNTVYSWDV-OAHLLOKOSA-N 0 3 309.413 2.237 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1cc(F)ccc1C)[C@@H]1CCCO1 ZINC001193594599 797589125 /nfs/dbraw/zinc/58/91/25/797589125.db2.gz XCEQPCNKSDOOSQ-HOCLYGCPSA-N 0 3 304.365 2.233 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cncc2sccc21 ZINC001154819628 797617906 /nfs/dbraw/zinc/61/79/06/797617906.db2.gz JSRFLCCFQHESRH-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1c(F)cccc1F ZINC001154894671 797634577 /nfs/dbraw/zinc/63/45/77/797634577.db2.gz YZSZEYJDQWCSHJ-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N(CC)CCn1nc(C)nc1C ZINC001154958077 797646905 /nfs/dbraw/zinc/64/69/05/797646905.db2.gz YNMJWGXKLYEVAT-CQSZACIVSA-N 0 3 321.469 2.078 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001155211736 797710038 /nfs/dbraw/zinc/71/00/38/797710038.db2.gz ZSXQEFSZYNQMEW-LSDHHAIUSA-N 0 3 304.409 2.464 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001194397109 797721895 /nfs/dbraw/zinc/72/18/95/797721895.db2.gz OXEYULHXLZGFIZ-PBHICJAKSA-N 0 3 320.408 2.450 20 30 DEEDHN CC(C)CO[C@@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155270050 797722839 /nfs/dbraw/zinc/72/28/39/797722839.db2.gz CPRSMRMGWMMJCH-HNNXBMFYSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1c(C)onc1CC ZINC001155427498 797755394 /nfs/dbraw/zinc/75/53/94/797755394.db2.gz SXAPHQIRCWFSGU-AWEZNQCLSA-N 0 3 323.437 2.123 20 30 DEEDHN COCCCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155511842 797776123 /nfs/dbraw/zinc/77/61/23/797776123.db2.gz YBVAXDGJNJQJOJ-UHFFFAOYSA-N 0 3 321.396 2.110 20 30 DEEDHN N#CCSCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001194918977 797797114 /nfs/dbraw/zinc/79/71/14/797797114.db2.gz FQNMSDNQZQXAGO-UHFFFAOYSA-N 0 3 317.458 2.020 20 30 DEEDHN CSC[C@@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155782439 797846106 /nfs/dbraw/zinc/84/61/06/797846106.db2.gz IQJJALBYJKHMCL-CYBMUJFWSA-N 0 3 305.447 2.153 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 ZINC001195307329 797875727 /nfs/dbraw/zinc/87/57/27/797875727.db2.gz SGPDVILFJNMTTJ-HZPDHXFCSA-N 0 3 306.406 2.109 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(C[C@H]2CCCCO2)CC1 ZINC001195443601 797900186 /nfs/dbraw/zinc/90/01/86/797900186.db2.gz GOIDAYIXLDQZFI-QGZVFWFLSA-N 0 3 324.465 2.073 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2cnn(C)c2N)CC1 ZINC001195555436 797917990 /nfs/dbraw/zinc/91/79/90/797917990.db2.gz DFUJAAVVCVNZHZ-UHFFFAOYSA-N 0 3 321.469 2.121 20 30 DEEDHN C#CCCCCC(=O)N1CCCN(C[C@H]2CC[C@@H](C)O2)CC1 ZINC001195555954 797918550 /nfs/dbraw/zinc/91/85/50/797918550.db2.gz OTEQISNIQPEESG-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCc1ncc(C)s1 ZINC001156160243 797935415 /nfs/dbraw/zinc/93/54/15/797935415.db2.gz OWPXUFYBGMAPCV-UHFFFAOYSA-N 0 3 311.451 2.030 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195652709 797939844 /nfs/dbraw/zinc/93/98/44/797939844.db2.gz UVCHMMMATKMOGZ-GOSISDBHSA-N 0 3 306.450 2.348 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2cnn(CC)n2)CC1 ZINC001195717921 797948152 /nfs/dbraw/zinc/94/81/52/797948152.db2.gz SLDFPKWCPWCNFX-UHFFFAOYSA-N 0 3 321.469 2.416 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)Oc1ccccc1F ZINC001156374128 797986681 /nfs/dbraw/zinc/98/66/81/797986681.db2.gz JTNSRHXWZWMXQZ-GDBMZVCRSA-N 0 3 320.408 2.443 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2occc2C)C1 ZINC001196029291 797998222 /nfs/dbraw/zinc/99/82/22/797998222.db2.gz HMBVOWZSKSAJBA-HZPDHXFCSA-N 0 3 320.433 2.038 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sc(COC)nc1C ZINC001156635194 798047875 /nfs/dbraw/zinc/04/78/75/798047875.db2.gz GKFNTRSDRQBYGM-GFCCVEGCSA-N 0 3 323.462 2.061 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCCN1C(=O)CCC ZINC001156668399 798057459 /nfs/dbraw/zinc/05/74/59/798057459.db2.gz PTDBEZMXPANKQE-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN CC1(C)C[C@H]1C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156685356 798062534 /nfs/dbraw/zinc/06/25/34/798062534.db2.gz YXIQIWZRUXDLHE-AWEZNQCLSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001196453776 798062728 /nfs/dbraw/zinc/06/27/28/798062728.db2.gz UIUFYIMXHAUGND-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(Br)CNCCCNC(=O)Cc1ccc(C)o1 ZINC001156746996 798075632 /nfs/dbraw/zinc/07/56/32/798075632.db2.gz WJFCDOKPBSFJRX-UHFFFAOYSA-N 0 3 315.211 2.135 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2ncsc2c1 ZINC001156751372 798077332 /nfs/dbraw/zinc/07/73/32/798077332.db2.gz SZRFXGRILKHGEO-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN N#Cc1cccnc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001196561661 798078030 /nfs/dbraw/zinc/07/80/30/798078030.db2.gz CMPKGTYMTOWKKH-KRWDZBQOSA-N 0 3 320.396 2.348 20 30 DEEDHN N#Cc1ccc(C2CCN(c3ncc4c(n3)CCNC4)CC2)cc1 ZINC001156761113 798078443 /nfs/dbraw/zinc/07/84/43/798078443.db2.gz VYKRPPRMXZIHRW-UHFFFAOYSA-N 0 3 319.412 2.378 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn2c(cccc2C)n1 ZINC001156820017 798087458 /nfs/dbraw/zinc/08/74/58/798087458.db2.gz WMUWGVGUEKLQDI-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001196909956 798126554 /nfs/dbraw/zinc/12/65/54/798126554.db2.gz ICADGERLCGMRDA-QGZVFWFLSA-N 0 3 312.429 2.396 20 30 DEEDHN C#CCCCC(=O)NCCCNCc1oc(CCC)nc1C ZINC001157164140 798152929 /nfs/dbraw/zinc/15/29/29/798152929.db2.gz CTGJGUGHIBHZQK-UHFFFAOYSA-N 0 3 305.422 2.335 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1OCC2(C)C ZINC001157357927 798188496 /nfs/dbraw/zinc/18/84/96/798188496.db2.gz NEYYDKZVKCJDBO-CQSZACIVSA-N 0 3 314.429 2.430 20 30 DEEDHN C=CCN1CCCN(C(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC001197794523 798239048 /nfs/dbraw/zinc/23/90/48/798239048.db2.gz KJESPKBOUKPSIB-SFHVURJKSA-N 0 3 315.461 2.400 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCc2sccc2C)C1 ZINC001198200412 798294117 /nfs/dbraw/zinc/29/41/17/798294117.db2.gz SCSAWORKKBARJZ-HUUCEWRRSA-N 0 3 322.474 2.117 20 30 DEEDHN CC(C)OCCN(C)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001157925759 798306612 /nfs/dbraw/zinc/30/66/12/798306612.db2.gz QZRDXGFEMMIPIM-QGZVFWFLSA-N 0 3 306.450 2.138 20 30 DEEDHN CN(CCOC1CCC1)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001157925998 798306676 /nfs/dbraw/zinc/30/66/76/798306676.db2.gz VIQDOHYZYVKFKG-QGZVFWFLSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCN[C@H](CNC(=O)C[C@@H](C)OC)c1ccccc1OC ZINC001198595284 798363177 /nfs/dbraw/zinc/36/31/77/798363177.db2.gz JNXSBCMTJTUTDB-GDBMZVCRSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)CC(C)(C)O)c1ccccc1OC ZINC001198695064 798377368 /nfs/dbraw/zinc/37/73/68/798377368.db2.gz NRXKHUNAZRKMHX-HNNXBMFYSA-N 0 3 320.433 2.179 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cn(C)nc1Cl ZINC001158473014 798412992 /nfs/dbraw/zinc/41/29/92/798412992.db2.gz IXFNHKAWIKJFFB-CQSZACIVSA-N 0 3 324.856 2.115 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198908961 798418762 /nfs/dbraw/zinc/41/87/62/798418762.db2.gz RPVXLIMSIHWXFC-PMPSAXMXSA-N 0 3 318.417 2.053 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](NCC)c2ccccc2OC)nc1 ZINC001198969207 798421320 /nfs/dbraw/zinc/42/13/20/798421320.db2.gz SLYLTAFCFNUOCA-QGZVFWFLSA-N 0 3 323.396 2.152 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001199001504 798428564 /nfs/dbraw/zinc/42/85/64/798428564.db2.gz FUXVYRMYWLAGCP-MRXNPFEDSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001199211071 798451727 /nfs/dbraw/zinc/45/17/27/798451727.db2.gz RYMZYCBSQSYHOU-ARFHVFGLSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001158706481 798454161 /nfs/dbraw/zinc/45/41/61/798454161.db2.gz WFAFLLCXTRLLFI-AWEZNQCLSA-N 0 3 308.809 2.229 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)CCSC)CC1 ZINC001199232315 798454635 /nfs/dbraw/zinc/45/46/35/798454635.db2.gz BZZLHANPPVUBRU-UHFFFAOYSA-N 0 3 321.284 2.229 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1OC ZINC001158777568 798468568 /nfs/dbraw/zinc/46/85/68/798468568.db2.gz GDAKOAUOGDMEFF-CABCVRRESA-N 0 3 316.401 2.036 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001199465761 798486303 /nfs/dbraw/zinc/48/63/03/798486303.db2.gz BVKSZIYGQWKSQL-NUEKZKHPSA-N 0 3 320.408 2.264 20 30 DEEDHN C=C[C@H](C(=O)N1CCCC[C@@H]1CN(C)CCO)c1ccccc1 ZINC001158900634 798486754 /nfs/dbraw/zinc/48/67/54/798486754.db2.gz IJXYHCFBABLTTE-MSOLQXFVSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)OCC=C ZINC001158966200 798495970 /nfs/dbraw/zinc/49/59/70/798495970.db2.gz AJAGNCDNROUWNH-IAGOWNOFSA-N 0 3 324.465 2.093 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2ccns2)c1 ZINC001159113329 798523650 /nfs/dbraw/zinc/52/36/50/798523650.db2.gz JIZRLMLMLOESLY-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2cccnc2C)C1 ZINC001200083788 798587471 /nfs/dbraw/zinc/58/74/71/798587471.db2.gz OXKSWGFNCLCYDB-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCCCCC(=O)N1CCC(N[C@H](C)c2cnccn2)CC1 ZINC001200155284 798588842 /nfs/dbraw/zinc/58/88/42/798588842.db2.gz DMGNAWNKTZWQDG-OAHLLOKOSA-N 0 3 314.433 2.312 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCC(F)(F)F)CC1 ZINC001159686567 798596699 /nfs/dbraw/zinc/59/66/99/798596699.db2.gz OFTQFDWALSOUCJ-UHFFFAOYSA-N 0 3 302.340 2.491 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C(F)=C2CCCC2)CCCO1 ZINC001200261110 798603729 /nfs/dbraw/zinc/60/37/29/798603729.db2.gz RXDWYHVIBCPSBB-OAHLLOKOSA-N 0 3 308.397 2.014 20 30 DEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1ccc2c(n1)CCC2 ZINC001159921449 798626009 /nfs/dbraw/zinc/62/60/09/798626009.db2.gz UZGZPZKVJUYVOI-AWEZNQCLSA-N 0 3 303.406 2.209 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@@H]1n1cccn1 ZINC001160180059 798659016 /nfs/dbraw/zinc/65/90/16/798659016.db2.gz XLQPBIAJEGQVDF-GJZGRUSLSA-N 0 3 324.856 2.463 20 30 DEEDHN N#Cc1cc(Cl)cnc1-n1nc(-c2ccncc2)cc1CN ZINC001160339165 798677393 /nfs/dbraw/zinc/67/73/93/798677393.db2.gz ZMWWXGAMNVDFMU-UHFFFAOYSA-N 0 3 310.748 2.313 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cnc(C3CC3)o2)CC1 ZINC001160386335 798682389 /nfs/dbraw/zinc/68/23/89/798682389.db2.gz UIBMVVAQJYARIB-UHFFFAOYSA-N 0 3 313.401 2.327 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@](C)(F)CCCC)CCCO1 ZINC001200843053 798686291 /nfs/dbraw/zinc/68/62/91/798686291.db2.gz WIQCUXGJXIXBKB-NVXWUHKLSA-N 0 3 312.429 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C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@H](OC)C1 ZINC001213487962 801615231 /nfs/dbraw/zinc/61/52/31/801615231.db2.gz OXJWCKLYRVVXHG-ARFHVFGLSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)[C@H](OC)C1 ZINC001213733943 801637849 /nfs/dbraw/zinc/63/78/49/801637849.db2.gz MISORYJZDAYPNK-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213961733 801658457 /nfs/dbraw/zinc/65/84/57/801658457.db2.gz OWTTWYVDCKHEBY-APBGNUCKSA-N 0 3 324.465 2.139 20 30 DEEDHN C[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1NCC#Cc1ccccc1 ZINC001214496360 801722823 /nfs/dbraw/zinc/72/28/23/801722823.db2.gz ZYLOHPYFNGYJQZ-VQIMIIECSA-N 0 3 322.408 2.310 20 30 DEEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](NCc3ccccn3)C2)CCC1 ZINC001214831460 801764819 /nfs/dbraw/zinc/76/48/19/801764819.db2.gz DIKDZADKJAAKJA-NVXWUHKLSA-N 0 3 311.429 2.212 20 30 DEEDHN N#Cc1cc(F)cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001215981155 801924470 /nfs/dbraw/zinc/92/44/70/801924470.db2.gz YJLCREMTBTVBIC-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN Cc1conc1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001216229383 801955247 /nfs/dbraw/zinc/95/52/47/801955247.db2.gz HXCXQMPXBSLNQH-RHSMWYFYSA-N 0 3 323.396 2.085 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCSCC)[C@H]2C1 ZINC001217406221 802075106 /nfs/dbraw/zinc/07/51/06/802075106.db2.gz WMGSHXNGPVNODC-LSDHHAIUSA-N 0 3 312.479 2.007 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CCCCC)C[C@@H]21 ZINC001217420034 802075558 /nfs/dbraw/zinc/07/55/58/802075558.db2.gz CIRQZAXCHLAVBC-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C[C@@H](C)SC)[C@H]2C1 ZINC001217665543 802097048 /nfs/dbraw/zinc/09/70/48/802097048.db2.gz MLNALSJFUJRUIW-QLFBSQMISA-N 0 3 312.479 2.006 20 30 DEEDHN N#Cc1cccc(-c2ccc(O[C@@H]3CN4C[C@H]3NCC4)cc2)c1 ZINC001218110434 802143801 /nfs/dbraw/zinc/14/38/01/802143801.db2.gz FXODZUZTLWBVDF-RTBURBONSA-N 0 3 305.381 2.260 20 30 DEEDHN C[C@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1ccccc1C#N ZINC001218409851 802179303 /nfs/dbraw/zinc/17/93/03/802179303.db2.gz YIGDMNYTEJRHDO-SJCJKPOMSA-N 0 3 309.369 2.053 20 30 DEEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001218451620 802184012 /nfs/dbraw/zinc/18/40/12/802184012.db2.gz HVFZADGPHAHIQV-UKRRQHHQSA-N 0 3 315.373 2.425 20 30 DEEDHN CC#CCCCC(=O)N1CCO[C@@H]2CN(CCC(C)C)C[C@@H]21 ZINC001218509442 802194252 /nfs/dbraw/zinc/19/42/52/802194252.db2.gz FHKLTRKWBWTMMS-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001233866298 802228767 /nfs/dbraw/zinc/22/87/67/802228767.db2.gz OUEPULFPYZGGSS-GOEBONIOSA-N 0 3 302.422 2.286 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCn1ccnn1 ZINC001233905747 802239898 /nfs/dbraw/zinc/23/98/98/802239898.db2.gz BBSGFDBBWMSKBH-INIZCTEOSA-N 0 3 321.469 2.171 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001233935889 802246023 /nfs/dbraw/zinc/24/60/23/802246023.db2.gz DPWASZPKDPWKTL-PKOBYXMFSA-N 0 3 316.445 2.355 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1C[C@@H](OC)C1CCC1 ZINC001233948319 802250265 /nfs/dbraw/zinc/25/02/65/802250265.db2.gz UYQXKCIOPUCGQQ-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccccc2O)[C@@H](O)C1 ZINC001219207008 802296676 /nfs/dbraw/zinc/29/66/76/802296676.db2.gz STBIGIJFRNEWNI-WBVHZDCISA-N 0 3 320.433 2.138 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001234163136 802316033 /nfs/dbraw/zinc/31/60/33/802316033.db2.gz YEHJGZYABSTKAW-CABCVRRESA-N 0 3 302.422 2.286 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001234266628 802338706 /nfs/dbraw/zinc/33/87/06/802338706.db2.gz RMFUORQRBNTAJF-DOTOQJQBSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001234346600 802358314 /nfs/dbraw/zinc/35/83/14/802358314.db2.gz ZDPAJEBUDANTRV-OAHLLOKOSA-N 0 3 317.437 2.116 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001219702943 802369479 /nfs/dbraw/zinc/36/94/79/802369479.db2.gz NNNBJEHRWNPFMD-OLZOCXBDSA-N 0 3 320.836 2.066 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001219718482 802372537 /nfs/dbraw/zinc/37/25/37/802372537.db2.gz GECFJKIRUHLZMA-SJORKVTESA-N 0 3 306.450 2.395 20 30 DEEDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234514486 802397834 /nfs/dbraw/zinc/39/78/34/802397834.db2.gz WNNAYMZHJKNPNE-YWVIFJGQSA-N 0 3 324.384 2.316 20 30 DEEDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234514486 802397842 /nfs/dbraw/zinc/39/78/42/802397842.db2.gz WNNAYMZHJKNPNE-YWVIFJGQSA-N 0 3 324.384 2.316 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220134126 802413728 /nfs/dbraw/zinc/41/37/28/802413728.db2.gz YZSKJUHQHNRWMV-AISUJJHZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@@H](O)C1 ZINC001220149375 802417369 /nfs/dbraw/zinc/41/73/69/802417369.db2.gz JQAOCRJBWHERHO-RYRKJORJSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCC2CC2)[C@@H](O)C1 ZINC001220187606 802421918 /nfs/dbraw/zinc/42/19/18/802421918.db2.gz DNNOLMJLCNSHEN-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN COc1ccc(CSC[C@H](N)C(=O)NCCCCC#N)cc1 ZINC001220191625 802423439 /nfs/dbraw/zinc/42/34/39/802423439.db2.gz MAEQMJIWWNNIIH-HNNXBMFYSA-N 0 3 321.446 2.066 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001220275500 802436344 /nfs/dbraw/zinc/43/63/44/802436344.db2.gz ZSNGLWMAVYAJAZ-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@@H](O)C1 ZINC001220326919 802445146 /nfs/dbraw/zinc/44/51/46/802445146.db2.gz NUCKHUYIYRFGKJ-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CC[N@H+](C)CCCNCc1cccc([O-])c1Br ZINC000315049790 802445280 /nfs/dbraw/zinc/44/52/80/802445280.db2.gz PBDLIHKENXLECG-UHFFFAOYSA-N 0 3 311.223 2.199 20 30 DEEDHN C#CC[N@@H+](C)CCCNCc1cccc([O-])c1Br ZINC000315049790 802445282 /nfs/dbraw/zinc/44/52/82/802445282.db2.gz PBDLIHKENXLECG-UHFFFAOYSA-N 0 3 311.223 2.199 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)c2ccco2)[C@@H](O)C1 ZINC001220342753 802446241 /nfs/dbraw/zinc/44/62/41/802446241.db2.gz LWQWCTCVKTXVGE-XHSDSOJGSA-N 0 3 320.433 2.291 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220379646 802451059 /nfs/dbraw/zinc/45/10/59/802451059.db2.gz CGLMMKQEXZCGJF-MJBXVCDLSA-N 0 3 320.424 2.409 20 30 DEEDHN O=C(NCCC(C(F)(F)F)C(F)(F)F)[C@@H]1C[C@@H](F)CCN1 ZINC001221395418 802565745 /nfs/dbraw/zinc/56/57/45/802565745.db2.gz AWHOQTFXRWDVKN-BQBZGAKWSA-N 0 3 324.240 2.324 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(C[C@@H](C)OC)C[C@H]21 ZINC001221573540 802594083 /nfs/dbraw/zinc/59/40/83/802594083.db2.gz LOZGTZSJNDZLRD-DJIMGWMZSA-N 0 3 306.450 2.322 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001221786973 802615495 /nfs/dbraw/zinc/61/54/95/802615495.db2.gz FOWXIILXXAYCSU-YNEHKIRRSA-N 0 3 302.340 2.131 20 30 DEEDHN C=CC1(CC(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CCCCC1 ZINC001221864331 802621585 /nfs/dbraw/zinc/62/15/85/802621585.db2.gz UTWMBKGFKLZSKF-IAGOWNOFSA-N 0 3 320.477 2.428 20 30 DEEDHN Cc1nc(C)c(CN2CCC(CNC(=O)[C@@H](C)C#N)CC2)s1 ZINC001222637050 802720007 /nfs/dbraw/zinc/72/00/07/802720007.db2.gz XMAQMNCKJJBVRW-NSHDSACASA-N 0 3 320.462 2.248 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@H]2CCN(CC#CC)[C@H]2C1)OCC ZINC001222798959 802741732 /nfs/dbraw/zinc/74/17/32/802741732.db2.gz BBDGHZYTGPBOJS-SQNIBIBYSA-N 0 3 318.461 2.304 20 30 DEEDHN Cc1ncsc1CN1CCC(CNC(=O)C#CC2CC2)CC1 ZINC001223131039 802768375 /nfs/dbraw/zinc/76/83/75/802768375.db2.gz XTMAFXGRRHIVTN-UHFFFAOYSA-N 0 3 317.458 2.193 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccc(C#N)s3)C[C@H]1N2C ZINC001223288072 802778884 /nfs/dbraw/zinc/77/88/84/802778884.db2.gz FUKIMHQMUNXNGQ-YXAMBPQSSA-N 0 3 320.414 2.303 20 30 DEEDHN N#Cc1ccnc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001223370300 802785702 /nfs/dbraw/zinc/78/57/02/802785702.db2.gz PSHAYONFNGZCFG-QAQDUYKDSA-N 0 3 301.390 2.113 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001223449886 802791378 /nfs/dbraw/zinc/79/13/78/802791378.db2.gz OVDQXXBMVHPFNJ-KRWDZBQOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCC1CCN(CC#CC)CC1 ZINC001223957601 802826105 /nfs/dbraw/zinc/82/61/05/802826105.db2.gz DFIUORLQDUOLDN-GOSISDBHSA-N 0 3 306.450 2.067 20 30 DEEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)c1ccn[nH]1 ZINC001224903414 802916364 /nfs/dbraw/zinc/91/63/64/802916364.db2.gz YMEAENLKAFDCFB-IAGOWNOFSA-N 0 3 322.412 2.092 20 30 DEEDHN CCc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C#N ZINC001225395825 802960323 /nfs/dbraw/zinc/96/03/23/802960323.db2.gz SYUNPDWRWKICSN-HFBAOOFYSA-N 0 3 318.421 2.222 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCOc2ccccc2)CC1 ZINC001225418013 802962850 /nfs/dbraw/zinc/96/28/50/802962850.db2.gz UZYCPTLUYOBPJB-UHFFFAOYSA-N 0 3 314.429 2.307 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(CCOC)CCCC2)CC1 ZINC001225618308 802991849 /nfs/dbraw/zinc/99/18/49/802991849.db2.gz YSBMPRXNODDOGZ-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225630860 802993782 /nfs/dbraw/zinc/99/37/82/802993782.db2.gz GUNHLGZBRYOQNK-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001227123289 803204270 /nfs/dbraw/zinc/20/42/70/803204270.db2.gz BCKJXOLOVIWUAC-QGZVFWFLSA-N 0 3 322.474 2.464 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001227123287 803204599 /nfs/dbraw/zinc/20/45/99/803204599.db2.gz BCKJXOLOVIWUAC-KRWDZBQOSA-N 0 3 322.474 2.464 20 30 DEEDHN C#CCC1(C(=O)NC2CCN(CCOCC3CC3)CC2)CCC1 ZINC001227754111 803275411 /nfs/dbraw/zinc/27/54/11/803275411.db2.gz HIORXDVZCSIPHJ-UHFFFAOYSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2nc(C)sc2C)CC1 ZINC001227946602 803298100 /nfs/dbraw/zinc/29/81/00/803298100.db2.gz FMGJBGPMIHMWTH-UHFFFAOYSA-N 0 3 323.462 2.157 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2(C(F)F)CCC2)CC1 ZINC001228842967 803420633 /nfs/dbraw/zinc/42/06/33/803420633.db2.gz BNFNLWFEZNSLHL-UHFFFAOYSA-N 0 3 316.392 2.205 20 30 DEEDHN C[C@H](CCCNCc1ccc(F)cc1F)NC(=O)[C@@H](C)C#N ZINC001330768973 1149287367 /nfs/dbraw/zinc/28/73/67/1149287367.db2.gz IYEDMCUSOWNXTM-NWDGAFQWSA-N 0 3 309.360 2.499 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC001331542877 1149523149 /nfs/dbraw/zinc/52/31/49/1149523149.db2.gz INGAOSPSLLSSPN-AWEZNQCLSA-N 0 3 311.429 2.479 20 30 DEEDHN C=C(C)CCC(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC001328116558 1148724916 /nfs/dbraw/zinc/72/49/16/1148724916.db2.gz MXRFJUIVWIJXNP-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cnn(CCC(C)C)c1C ZINC001331613066 1149555759 /nfs/dbraw/zinc/55/57/59/1149555759.db2.gz CDIIYFFRWPSZJS-OAHLLOKOSA-N 0 3 318.465 2.311 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(OC)c(OC)cc1C ZINC001331645610 1149574388 /nfs/dbraw/zinc/57/43/88/1149574388.db2.gz YITISKWGANTVOL-CQSZACIVSA-N 0 3 318.417 2.086 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC001343490754 1150746820 /nfs/dbraw/zinc/74/68/20/1150746820.db2.gz OPAOWMPWBJDTDV-FDKDBAQKSA-N 0 3 316.357 2.014 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)NCc1cccc(CC)c1 ZINC001331770633 1149667482 /nfs/dbraw/zinc/66/74/82/1149667482.db2.gz HSPSCSGMJLHRKG-MRXNPFEDSA-N 0 3 304.434 2.028 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001331870653 1149740213 /nfs/dbraw/zinc/74/02/13/1149740213.db2.gz SFTHXSKLZGKWCU-WDEREUQCSA-N 0 3 307.221 2.087 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001567917938 1064514050 /nfs/dbraw/zinc/51/40/50/1064514050.db2.gz YDHAFTBGYXNCOE-GOEBONIOSA-N 0 3 300.418 2.108 20 30 DEEDHN Cc1cccc(C)c1OC[C@@H](O)CNCC#C[C@H]1CCCCO1 ZINC001346379013 1150977570 /nfs/dbraw/zinc/97/75/70/1150977570.db2.gz TWCIIBIMPXCCAC-ZWKOTPCHSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CCCC(=O)N1CCC2(CC1)CN(CCCCOC)CCO2 ZINC001328486338 1148802053 /nfs/dbraw/zinc/80/20/53/1148802053.db2.gz YVOVACVSNRXNBQ-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602883956 1069787592 /nfs/dbraw/zinc/78/75/92/1069787592.db2.gz NDSVASBGOTWJFE-KGLIPLIRSA-N 0 3 319.796 2.343 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602883956 1069787601 /nfs/dbraw/zinc/78/76/01/1069787601.db2.gz NDSVASBGOTWJFE-KGLIPLIRSA-N 0 3 319.796 2.343 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001368966999 1148810437 /nfs/dbraw/zinc/81/04/37/1148810437.db2.gz VTBOSIXZEBWFDD-NSHDSACASA-N 0 3 310.829 2.091 20 30 DEEDHN CCC[N@H+](CC)C[C@@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604204566 1070277695 /nfs/dbraw/zinc/27/76/95/1070277695.db2.gz PHKJEBGHVXDGOA-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN CCC[N@@H+](CC)C[C@@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604204566 1070277706 /nfs/dbraw/zinc/27/77/06/1070277706.db2.gz PHKJEBGHVXDGOA-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN CCC[N@H+](CC)C[C@@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604204566 1070277719 /nfs/dbraw/zinc/27/77/19/1070277719.db2.gz PHKJEBGHVXDGOA-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN CCC[N@@H+](CC)C[C@@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604204566 1070277731 /nfs/dbraw/zinc/27/77/31/1070277731.db2.gz PHKJEBGHVXDGOA-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC001526586666 1070314816 /nfs/dbraw/zinc/31/48/16/1070314816.db2.gz AELNHINCLFUHBG-SNVBAGLBSA-N 0 3 320.299 2.432 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001425563892 1174374460 /nfs/dbraw/zinc/37/44/60/1174374460.db2.gz KGDLQKZFJYHLIJ-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN CC(C)OCCN(C)C[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001328718589 1148827352 /nfs/dbraw/zinc/82/73/52/1148827352.db2.gz ASKSDKKESKCEBM-INIZCTEOSA-N 0 3 308.466 2.384 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001368538772 1148484736 /nfs/dbraw/zinc/48/47/36/1148484736.db2.gz IVSKOEQEGFMMSK-MQMHXKEQSA-N 0 3 321.371 2.430 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001328779141 1148833989 /nfs/dbraw/zinc/83/39/89/1148833989.db2.gz DPIIHIJEKIYUAS-SWLSCSKDSA-N 0 3 304.438 2.239 20 30 DEEDHN N#CC1CCC(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC001606344134 1071129475 /nfs/dbraw/zinc/12/94/75/1071129475.db2.gz GKFFBFQHDBCYSY-UHFFFAOYSA-N 0 3 302.407 2.348 20 30 DEEDHN N#CC1CCC(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC001606344134 1071129477 /nfs/dbraw/zinc/12/94/77/1071129477.db2.gz GKFFBFQHDBCYSY-UHFFFAOYSA-N 0 3 302.407 2.348 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnc([C@H](C)CC)nc2)CC1 ZINC001530252633 1071187679 /nfs/dbraw/zinc/18/76/79/1071187679.db2.gz DKJPTFRAVOMDBY-CYBMUJFWSA-N 0 3 300.406 2.274 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H]1CNCc1cnc(C)s1 ZINC001499955659 1058401213 /nfs/dbraw/zinc/40/12/13/1058401213.db2.gz WEGSMVQXRREVFJ-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCN1CCC(C)(NC(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001499986784 1058416070 /nfs/dbraw/zinc/41/60/70/1058416070.db2.gz QSEHMSXXSRSHCR-OAHLLOKOSA-N 0 3 316.449 2.001 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#CC)OCC ZINC001500143672 1058520538 /nfs/dbraw/zinc/52/05/38/1058520538.db2.gz BVHAEHYXHXOYSD-FGTMMUONSA-N 0 3 318.461 2.446 20 30 DEEDHN Cc1cccc(OCCN2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)c1 ZINC001500197919 1058581679 /nfs/dbraw/zinc/58/16/79/1058581679.db2.gz NLSRXDYYOYAKKN-MAUKXSAKSA-N 0 3 315.417 2.114 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC001500436357 1058780782 /nfs/dbraw/zinc/78/07/82/1058780782.db2.gz HQMZAAVJRRHHDZ-DLBZAZTESA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C2(CC=C)CCOCC2)CC1 ZINC001500459136 1058803316 /nfs/dbraw/zinc/80/33/16/1058803316.db2.gz BYJHQBFBFVFGLI-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)C[C@@H](C)SC)C1 ZINC001500611555 1058961140 /nfs/dbraw/zinc/96/11/40/1058961140.db2.gz VGDKXWPBMSRTRF-OLZOCXBDSA-N 0 3 318.433 2.225 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1C ZINC001501374738 1059475007 /nfs/dbraw/zinc/47/50/07/1059475007.db2.gz VWBPXGAYCIQHPB-IRXDYDNUSA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ncccc2OC)cc1 ZINC001501681376 1059631669 /nfs/dbraw/zinc/63/16/69/1059631669.db2.gz IAWZOUYABNHDBF-AWEZNQCLSA-N 0 3 323.396 2.304 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncccc1OCCC ZINC001467727850 1059690872 /nfs/dbraw/zinc/69/08/72/1059690872.db2.gz SSZGTBGSEJLLLZ-UHFFFAOYSA-N 0 3 305.422 2.450 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)C3CC=CC3)C2)CC1 ZINC001502099565 1059928049 /nfs/dbraw/zinc/92/80/49/1059928049.db2.gz OBJIJRHDUUHBNR-SFHVURJKSA-N 0 3 317.477 2.137 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001502143134 1059989546 /nfs/dbraw/zinc/98/95/46/1059989546.db2.gz NSSOEFRKVXTTSW-BZSNNMDCSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@H](C)c1ccc(C)o1 ZINC001502380175 1060089482 /nfs/dbraw/zinc/08/94/82/1060089482.db2.gz DQINOAUVGOAMIB-MRXNPFEDSA-N 0 3 320.433 2.122 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2conc2C)C(C)(C)C1 ZINC001502831837 1060337549 /nfs/dbraw/zinc/33/75/49/1060337549.db2.gz GCCSIXDOKLTJFK-HNNXBMFYSA-N 0 3 321.421 2.016 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCC2CCOCC2)C(C)(C)C1 ZINC001502834869 1060342787 /nfs/dbraw/zinc/34/27/87/1060342787.db2.gz QNFHFBXIGKNGOB-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCN(CCCCCNC(=O)C2(C)CCC2)CC1 ZINC001503743841 1060466931 /nfs/dbraw/zinc/46/69/31/1060466931.db2.gz JHVBYPOCPYTZIQ-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccc(CC)cc2)CC1 ZINC001505391669 1060520695 /nfs/dbraw/zinc/52/06/95/1060520695.db2.gz ANLQKSUTTMSKQL-UHFFFAOYSA-N 0 3 316.445 2.382 20 30 DEEDHN C=CCOCC(=O)N1CCC([C@@H]2CCCN(CCF)C2)CC1 ZINC001505474564 1060643042 /nfs/dbraw/zinc/64/30/42/1060643042.db2.gz BRDFAXBSMXUTPK-MRXNPFEDSA-N 0 3 312.429 2.109 20 30 DEEDHN CN(CCOCCNC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC001473705054 1060713530 /nfs/dbraw/zinc/71/35/30/1060713530.db2.gz ZVRRSBIFVGTPHW-UHFFFAOYSA-N 0 3 311.426 2.153 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001369177765 1148862256 /nfs/dbraw/zinc/86/22/56/1148862256.db2.gz QYTZCDYHAFYGMS-YDHLFZDLSA-N 0 3 300.830 2.040 20 30 DEEDHN COc1ccc(F)cc1CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)C ZINC001505602354 1060764833 /nfs/dbraw/zinc/76/48/33/1060764833.db2.gz IAOZXOOLLHHQJV-KBPBESRZSA-N 0 3 320.408 2.477 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC001505601776 1060765208 /nfs/dbraw/zinc/76/52/08/1060765208.db2.gz AKRXBSDZUVRGRG-QWHCGFSZSA-N 0 3 307.825 2.377 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cnc(OC)nc1C ZINC001505614150 1060779356 /nfs/dbraw/zinc/77/93/56/1060779356.db2.gz PAGWAPFRNCMDDB-OLZOCXBDSA-N 0 3 320.437 2.133 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CCCCC1 ZINC001479208351 1061291889 /nfs/dbraw/zinc/29/18/89/1061291889.db2.gz DGGZJVVXDFDQQR-HUUCEWRRSA-N 0 3 321.465 2.015 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001327263738 1148505954 /nfs/dbraw/zinc/50/59/54/1148505954.db2.gz HUOQCINHTRRIPZ-OLZOCXBDSA-N 0 3 322.371 2.310 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[C@H]2CCOC2)C1 ZINC001479288913 1061366111 /nfs/dbraw/zinc/36/61/11/1061366111.db2.gz HFUBJYFARHPXNM-MELADBBJSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCc2cncnc2)C1 ZINC001479460510 1061466945 /nfs/dbraw/zinc/46/69/45/1061466945.db2.gz LMMWBSKEOLGSFT-DZGCQCFKSA-N 0 3 322.840 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1ncc[nH]1 ZINC001479523665 1061492818 /nfs/dbraw/zinc/49/28/18/1061492818.db2.gz AWCLQBIOVCUDGC-JSGCOSHPSA-N 0 3 324.856 2.312 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCc2sc(CNCCC3CC3)nc2C1 ZINC001479741174 1061666796 /nfs/dbraw/zinc/66/67/96/1061666796.db2.gz ORPJQBZPXJBHFC-NSHDSACASA-N 0 3 318.446 2.077 20 30 DEEDHN Cc1nc(CN[C@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)co1 ZINC001506158503 1061694552 /nfs/dbraw/zinc/69/45/52/1061694552.db2.gz HYKRRLQSIPPYPC-IUODEOHRSA-N 0 3 306.410 2.105 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001479786887 1061761721 /nfs/dbraw/zinc/76/17/21/1061761721.db2.gz IJHRYUPQCAFAJE-QGZVFWFLSA-N 0 3 314.429 2.241 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1c(C)cnn1C ZINC001479828846 1061851399 /nfs/dbraw/zinc/85/13/99/1061851399.db2.gz FTZFJRCIDMPWNL-KBPBESRZSA-N 0 3 324.856 2.454 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCCn2ccnc2C)CC1 ZINC001479893560 1062001580 /nfs/dbraw/zinc/00/15/80/1062001580.db2.gz SFEVOENBOGKFFV-UHFFFAOYSA-N 0 3 304.438 2.081 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001479902233 1062014588 /nfs/dbraw/zinc/01/45/88/1062014588.db2.gz CKZMGGSSGLHDMJ-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCn2nc(C)cc2C)C1 ZINC001479910619 1062038632 /nfs/dbraw/zinc/03/86/32/1062038632.db2.gz FHAQHWJQPUWOTJ-QGZVFWFLSA-N 0 3 318.465 2.437 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001479914413 1062045139 /nfs/dbraw/zinc/04/51/39/1062045139.db2.gz JTKLXOAQAPHDFS-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H](C)C2CCCC2)CC1 ZINC001479940646 1062068497 /nfs/dbraw/zinc/06/84/97/1062068497.db2.gz ZHJANYMPXNEJGI-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001479939268 1062068684 /nfs/dbraw/zinc/06/86/84/1062068684.db2.gz ZZUCVSYVIMJWIX-INIZCTEOSA-N 0 3 319.449 2.001 20 30 DEEDHN CCCN(C(=O)[C@@H]1CCCN1C(C)C)C1CCN(CC#N)CC1 ZINC001479992831 1062154829 /nfs/dbraw/zinc/15/48/29/1062154829.db2.gz DBPGACURQDDFGH-KRWDZBQOSA-N 0 3 320.481 2.086 20 30 DEEDHN C#CCN1CCC(N(CCC)C(=O)c2cc(CCC)[nH]n2)CC1 ZINC001479994642 1062158156 /nfs/dbraw/zinc/15/81/56/1062158156.db2.gz XZFNMPLDAWBTLF-UHFFFAOYSA-N 0 3 316.449 2.312 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](CNC(=O)C(C)C)C1CC1 ZINC001480003976 1062171840 /nfs/dbraw/zinc/17/18/40/1062171840.db2.gz RMOXOVNBRMRGDL-INIZCTEOSA-N 0 3 315.417 2.207 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C1CN(C[C@H]2CCCCO2)C1 ZINC001506645060 1062229584 /nfs/dbraw/zinc/22/95/84/1062229584.db2.gz OZTYSDXAYPUSPK-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2cncs2)C2CC2)C1 ZINC001480043180 1062230244 /nfs/dbraw/zinc/23/02/44/1062230244.db2.gz FAJQALXTJXCZEG-AWEZNQCLSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CSCC#N ZINC001480090373 1062310378 /nfs/dbraw/zinc/31/03/78/1062310378.db2.gz MONKKBFYNDHQRM-SOUVJXGZSA-N 0 3 307.463 2.273 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](OCC)C2CCCC2)C(C)(C)C1 ZINC001506743866 1062346620 /nfs/dbraw/zinc/34/66/20/1062346620.db2.gz HJQVGDXOGXGARG-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC001480121149 1062350314 /nfs/dbraw/zinc/35/03/14/1062350314.db2.gz GWYZLNYOTSJRHX-KRWDZBQOSA-N 0 3 322.408 2.294 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C[C@H](C)n2cccc2)C(C)(C)C1 ZINC001506750582 1062361597 /nfs/dbraw/zinc/36/15/97/1062361597.db2.gz MUWSELSVBDMIKU-HOTGVXAUSA-N 0 3 301.434 2.289 20 30 DEEDHN 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C=CCN1C[C@@H](NC(=O)CCc2csc(C)n2)C(C)(C)C1 ZINC001570905082 1068155642 /nfs/dbraw/zinc/15/56/42/1068155642.db2.gz MUNIEHRHTKTXIC-CQSZACIVSA-N 0 3 307.463 2.397 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](NC(=O)CN(CC)CC)C[C@H]1C ZINC001511250383 1068254304 /nfs/dbraw/zinc/25/43/04/1068254304.db2.gz LDCVTLKFKAYFEU-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)NCc1cc(C)sc1C ZINC001571431283 1068291437 /nfs/dbraw/zinc/29/14/37/1068291437.db2.gz QXOPSVYWQWDBJU-HNNXBMFYSA-N 0 3 310.463 2.288 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CSCC#N ZINC001571470402 1068322388 /nfs/dbraw/zinc/32/23/88/1068322388.db2.gz CSEONRFXLSMVME-GXTWGEPZSA-N 0 3 321.421 2.161 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(CC)Cc1cccc(C)c1 ZINC001267240099 1078690239 /nfs/dbraw/zinc/69/02/39/1078690239.db2.gz ANRHEEJEGWEPQA-SFHVURJKSA-N 0 3 304.434 2.260 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001571480841 1068334735 /nfs/dbraw/zinc/33/47/35/1068334735.db2.gz 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C=CCCC(=O)N(C)C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001571783196 1068522897 /nfs/dbraw/zinc/52/28/97/1068522897.db2.gz ZJNPMUIKOFUGNA-UYSNPLJNSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1nn(C)c2ccccc21 ZINC001267319034 1078761871 /nfs/dbraw/zinc/76/18/71/1078761871.db2.gz CPDRBZWLAUYQIT-UHFFFAOYSA-N 0 3 312.417 2.038 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@](C)(OC)c1ccccc1 ZINC001267319674 1078762264 /nfs/dbraw/zinc/76/22/64/1078762264.db2.gz NAXWSPHGAQQGBI-GOSISDBHSA-N 0 3 302.418 2.010 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001572299228 1068724295 /nfs/dbraw/zinc/72/42/95/1068724295.db2.gz XQDBYFBJVMJKMH-YOEHRIQHSA-N 0 3 323.481 2.036 20 30 DEEDHN COCCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001283553099 1078781796 /nfs/dbraw/zinc/78/17/96/1078781796.db2.gz IOHSDECWZXDCKQ-AWEZNQCLSA-N 0 3 322.836 2.165 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1c(C)noc1C)c1ccccc1 ZINC001267350337 1078784939 /nfs/dbraw/zinc/78/49/39/1078784939.db2.gz 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/nfs/dbraw/zinc/46/96/64/1072469664.db2.gz SFXOXCBHBUEHKW-HTYCJKLOSA-N 0 3 318.392 2.397 20 30 DEEDHN C#CCN(CCC)CCNC(=O)CCn1ccc2ccccc21 ZINC001493330717 1078913998 /nfs/dbraw/zinc/91/39/98/1078913998.db2.gz ACGDRCNDOQFSJW-UHFFFAOYSA-N 0 3 311.429 2.493 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)COc2cccnc2)C1 ZINC001267489235 1078914928 /nfs/dbraw/zinc/91/49/28/1078914928.db2.gz WCEWSDVYBQWSGE-MRXNPFEDSA-N 0 3 317.433 2.349 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](NCCCO)c2ccccc2)cc1 ZINC001267519516 1078948398 /nfs/dbraw/zinc/94/83/98/1078948398.db2.gz JFEYBYCMMSUKAQ-IBGZPJMESA-N 0 3 322.408 2.111 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](OC)C1CC1)c1ccccc1 ZINC001267521274 1078950820 /nfs/dbraw/zinc/95/08/20/1078950820.db2.gz RKPVPGVDNZYREL-DLBZAZTESA-N 0 3 302.418 2.435 20 30 DEEDHN Cc1nnsc1CNCC(C)(C)CN(C)C(=O)C#CC(C)C ZINC001329293568 1148881786 /nfs/dbraw/zinc/88/17/86/1148881786.db2.gz WVTDZAWTHWZKJF-UHFFFAOYSA-N 0 3 322.478 2.080 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)c2c[nH]cc2C)C1 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C=CCOCCN1CCC(N(C)C(=O)c2occc2C)CC1 ZINC001566605516 1073683206 /nfs/dbraw/zinc/68/32/06/1073683206.db2.gz UDADJBFOYZIPDB-UHFFFAOYSA-N 0 3 306.406 2.327 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001481101230 1079183572 /nfs/dbraw/zinc/18/35/72/1079183572.db2.gz HVZWLQKFBKRJGM-OLZOCXBDSA-N 0 3 306.356 2.140 20 30 DEEDHN C=CCOCCN1CCC(C)(NC(=O)c2ocnc2CC)CC1 ZINC001483970543 1079213937 /nfs/dbraw/zinc/21/39/37/1079213937.db2.gz BZGFRXIGYQHPEO-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)COCC1CC1)C2 ZINC001484020739 1079247385 /nfs/dbraw/zinc/24/73/85/1079247385.db2.gz VZSVQYOQXVKNCP-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001484040648 1079266643 /nfs/dbraw/zinc/26/66/43/1079266643.db2.gz ADSYNJCLXFKLPU-SJORKVTESA-N 0 3 322.474 2.464 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001484040645 1079266720 /nfs/dbraw/zinc/26/67/20/1079266720.db2.gz 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C#CCCN1CC[C@H](NC(=O)[C@@H](OC)c2ccc(F)cc2)[C@H]1C ZINC001566116858 1075230887 /nfs/dbraw/zinc/23/08/87/1075230887.db2.gz BFRXVZAJUXVLMM-COXVUDFISA-N 0 3 318.392 2.116 20 30 DEEDHN C#CCCCC(=O)N1CCc2sc(CNCCC)nc2C1 ZINC001566125590 1075233655 /nfs/dbraw/zinc/23/36/55/1075233655.db2.gz PCGYXZLVWIVOIZ-UHFFFAOYSA-N 0 3 305.447 2.331 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C=C(C)C)C1 ZINC001566139458 1075235603 /nfs/dbraw/zinc/23/56/03/1075235603.db2.gz JHZGEOGBAXZZHC-UHFFFAOYSA-N 0 3 301.228 2.346 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001566469281 1075252440 /nfs/dbraw/zinc/25/24/40/1075252440.db2.gz XRVJANHVBJVLBU-HNNXBMFYSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c(C)noc1C(F)(F)F ZINC001566495280 1075261062 /nfs/dbraw/zinc/26/10/62/1075261062.db2.gz CHDIASFLPFWQTA-UHFFFAOYSA-N 0 3 317.311 2.077 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccn(C(CC)CC)n1 ZINC001566497781 1075262519 /nfs/dbraw/zinc/26/25/19/1075262519.db2.gz GXHCXPWFGJGADK-UHFFFAOYSA-N 0 3 304.438 2.319 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ncc(Cl)s1)C1CC1 ZINC001566592524 1075291723 /nfs/dbraw/zinc/29/17/23/1075291723.db2.gz RIVKTOPDYRCLJU-UHFFFAOYSA-N 0 3 311.838 2.404 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(CCCO)C1)c1ccccc1 ZINC001566684175 1075317117 /nfs/dbraw/zinc/31/71/17/1075317117.db2.gz IQVLXWAAUBVAPX-ROUUACIJSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)CCC(C)C)C1 ZINC001566759979 1075338065 /nfs/dbraw/zinc/33/80/65/1075338065.db2.gz IDZYXYRADVMPFP-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](NCC#CCOC)C2)CCCCC1 ZINC001566779308 1075342562 /nfs/dbraw/zinc/34/25/62/1075342562.db2.gz UBLSPUHHIBMCKN-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@@H]1CCOC1 ZINC001267706008 1079392246 /nfs/dbraw/zinc/39/22/46/1079392246.db2.gz XANXBOSBHLCPRI-IKGGRYGDSA-N 0 3 306.450 2.445 20 30 DEEDHN C/C=C(/C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566833975 1075356774 /nfs/dbraw/zinc/35/67/74/1075356774.db2.gz CAUPGRHAWUFUOX-FVBSEFERSA-N 0 3 300.377 2.380 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001566877670 1075371331 /nfs/dbraw/zinc/37/13/31/1075371331.db2.gz CRYZUNNFJLWNRX-HOTGVXAUSA-N 0 3 302.418 2.310 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn(C(C)C)n1 ZINC001267709713 1079398324 /nfs/dbraw/zinc/39/83/24/1079398324.db2.gz AOXIRHQJZIRYDL-IRXDYDNUSA-N 0 3 316.449 2.258 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1sc(C)nc1C ZINC001566925056 1075387702 /nfs/dbraw/zinc/38/77/02/1075387702.db2.gz ZSMVDRFOFQSAQI-AWEZNQCLSA-N 0 3 307.463 2.459 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(COC)CC1 ZINC001566954993 1075398740 /nfs/dbraw/zinc/39/87/40/1075398740.db2.gz GLFJITOUIRZTPV-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN Cc1nc(C)c(CNC2CCC(NC(=O)C#CC(C)C)CC2)o1 ZINC001566983952 1075408121 /nfs/dbraw/zinc/40/81/21/1075408121.db2.gz PVTXFGTZLCCLOE-UHFFFAOYSA-N 0 3 317.433 2.468 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001567069193 1075426192 /nfs/dbraw/zinc/42/61/92/1075426192.db2.gz KFRWOFOPKUBMFY-ZDUSSCGKSA-N 0 3 322.836 2.315 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2nccn2C(F)F)C1 ZINC001567115650 1075435027 /nfs/dbraw/zinc/43/50/27/1075435027.db2.gz AWSAGKONVAQFRW-LBPRGKRZSA-N 0 3 312.364 2.183 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001267734445 1079425453 /nfs/dbraw/zinc/42/54/53/1079425453.db2.gz JDLHACNLSDYQHL-HOTGVXAUSA-N 0 3 304.438 2.218 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN[C@H](C)C(=O)N1CCC(C)CC1 ZINC001481235497 1079444914 /nfs/dbraw/zinc/44/49/14/1079444914.db2.gz RKZVMTJGSTYSJH-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCNCC(=O)N(C)C1CCCCC1 ZINC001481266311 1079492369 /nfs/dbraw/zinc/49/23/69/1079492369.db2.gz FKLMJSZROOSTPM-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001581886422 1076109140 /nfs/dbraw/zinc/10/91/40/1076109140.db2.gz YEYBWXKMRCWEGI-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(C)C[C@H]1CCCCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001584797687 1076320486 /nfs/dbraw/zinc/32/04/86/1076320486.db2.gz MISVTQXUVNZQFP-YCABEKBOSA-N 0 3 318.392 2.351 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CC)c2CC)CC1 ZINC001585280368 1076345809 /nfs/dbraw/zinc/34/58/09/1076345809.db2.gz XEEHJLTZRDUVAO-UHFFFAOYSA-N 0 3 304.438 2.236 20 30 DEEDHN C=CC[N@@H+](CC[C@@H](O)C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632487 1076458458 /nfs/dbraw/zinc/45/84/58/1076458458.db2.gz SORRRVOUUUWCHX-MRXNPFEDSA-N 0 3 315.421 2.262 20 30 DEEDHN C=CC[N@H+](CC[C@@H](O)C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632487 1076458460 /nfs/dbraw/zinc/45/84/60/1076458460.db2.gz SORRRVOUUUWCHX-MRXNPFEDSA-N 0 3 315.421 2.262 20 30 DEEDHN C=CCOCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588682910 1076460928 /nfs/dbraw/zinc/46/09/28/1076460928.db2.gz UQHZIAOOWVUGAU-MRXNPFEDSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CCOCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588682910 1076460932 /nfs/dbraw/zinc/46/09/32/1076460932.db2.gz UQHZIAOOWVUGAU-MRXNPFEDSA-N 0 3 313.405 2.426 20 30 DEEDHN C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589794709 1076516560 /nfs/dbraw/zinc/51/65/60/1076516560.db2.gz FTEYCVLHLYISCD-JTQLQIEISA-N 0 3 302.357 2.424 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001329489104 1148900986 /nfs/dbraw/zinc/90/09/86/1148900986.db2.gz QCBXFBAFBXZRTO-LBPRGKRZSA-N 0 3 308.422 2.458 20 30 DEEDHN C=C[C@@H](C(=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001609264181 1077820728 /nfs/dbraw/zinc/82/07/28/1077820728.db2.gz GCPZEJKKOKVWRK-FUHWJXTLSA-N 0 3 300.402 2.224 20 30 DEEDHN C=C[C@@H](C(=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001609264181 1077820729 /nfs/dbraw/zinc/82/07/29/1077820729.db2.gz GCPZEJKKOKVWRK-FUHWJXTLSA-N 0 3 300.402 2.224 20 30 DEEDHN N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001609494442 1077870471 /nfs/dbraw/zinc/87/04/71/1077870471.db2.gz DTIGNDNXQUXYTA-CMPLNLGQSA-N 0 3 300.341 2.178 20 30 DEEDHN C#CCCCC(=O)N[C@@](C)(CNCc1c(C)noc1C)C1CC1 ZINC001267852351 1079540555 /nfs/dbraw/zinc/54/05/55/1079540555.db2.gz CEDIJJBHGUJRBY-SFHVURJKSA-N 0 3 317.433 2.469 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@@H]1CNCc1ccccc1C#N ZINC001484374854 1079574004 /nfs/dbraw/zinc/57/40/04/1079574004.db2.gz BWBYIDHUGDTWTJ-PBHICJAKSA-N 0 3 317.408 2.492 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CN(Cc3ocnc3C)C[C@H]2C1 ZINC001484410611 1079597029 /nfs/dbraw/zinc/59/70/29/1079597029.db2.gz ITTVRSBEKXGNGZ-HRCADAONSA-N 0 3 317.433 2.476 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](OC)[C@@H](C)CC)cc1 ZINC001267938447 1079619525 /nfs/dbraw/zinc/61/95/25/1079619525.db2.gz WSRCFSQBAFPACU-MAUKXSAKSA-N 0 3 316.445 2.477 20 30 DEEDHN CCC(=O)N1CC[C@@H](CCNCc2ccc(C#N)cc2F)C1 ZINC001484503284 1079632755 /nfs/dbraw/zinc/63/27/55/1079632755.db2.gz OZUMHHLVMIPPFE-CYBMUJFWSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N[C@H](C)CC ZINC001267960665 1079640553 /nfs/dbraw/zinc/64/05/53/1079640553.db2.gz LYTFLUFRDKHVGI-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOCCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001267973441 1079655356 /nfs/dbraw/zinc/65/53/56/1079655356.db2.gz QBUIZMNUCRLBEJ-FPYGCLRLSA-N 0 3 324.852 2.093 20 30 DEEDHN C=C1CC(C)(C(=O)NCc2ccccc2CN(C)CCO)C1 ZINC001484557670 1079659077 /nfs/dbraw/zinc/65/90/77/1079659077.db2.gz PNJROHROPHDJSN-UHFFFAOYSA-N 0 3 302.418 2.083 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CCOC1 ZINC001484555440 1079661272 /nfs/dbraw/zinc/66/12/72/1079661272.db2.gz MHXHSBBYXKTTMP-HNNXBMFYSA-N 0 3 302.418 2.347 20 30 DEEDHN CCc1nc(C)c(CNC[C@@H](C)CNC(=O)C#CC(C)C)o1 ZINC001267987088 1079667778 /nfs/dbraw/zinc/66/77/78/1079667778.db2.gz ZUIWUKHUNSVYDW-CYBMUJFWSA-N 0 3 305.422 2.047 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@H](C)CC(C)(C)C)CCO1 ZINC001484690805 1079724824 /nfs/dbraw/zinc/72/48/24/1079724824.db2.gz QWBVGKHOJJPOHO-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN Cc1ncc(CN2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)s1 ZINC001484709063 1079745502 /nfs/dbraw/zinc/74/55/02/1079745502.db2.gz AYCAROLGPCXNQS-YPMHNXCESA-N 0 3 306.435 2.082 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN([C@@H](CCCC)C(N)=O)CC1 ZINC001484720375 1079756614 /nfs/dbraw/zinc/75/66/14/1079756614.db2.gz NVJWHDZUOZZPRX-GJZGRUSLSA-N 0 3 323.481 2.213 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cn2nc(C)cc2C)C1 ZINC001481399773 1079785399 /nfs/dbraw/zinc/78/53/99/1079785399.db2.gz AXQDRQPSFNKYKZ-QGZVFWFLSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CCCC(=O)N1CCC[C@]2(CCN(Cc3cnn(C)c3)C2)C1 ZINC001484824000 1079817442 /nfs/dbraw/zinc/81/74/42/1079817442.db2.gz JIMDMTQNVNBLMR-GOSISDBHSA-N 0 3 316.449 2.201 20 30 DEEDHN Cc1ncsc1CN[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C ZINC001484889550 1079839051 /nfs/dbraw/zinc/83/90/51/1079839051.db2.gz WQYCLEXKZMOWEH-OCCSQVGLSA-N 0 3 319.474 2.438 20 30 DEEDHN C#CCOc1ccc(C(=O)NCC2(NCCF)CCCC2)cc1 ZINC001268040422 1079885195 /nfs/dbraw/zinc/88/51/95/1079885195.db2.gz JPUPXQUNBJPDOK-UHFFFAOYSA-N 0 3 318.392 2.300 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001485021343 1079917333 /nfs/dbraw/zinc/91/73/33/1079917333.db2.gz YYXJPCJVRWVZOJ-SJORKVTESA-N 0 3 320.477 2.169 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC001481527964 1080004765 /nfs/dbraw/zinc/00/47/65/1080004765.db2.gz XAJQNLSPDACTIX-JKSUJKDBSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NCc1cn(C)nc1C ZINC001485154996 1080020179 /nfs/dbraw/zinc/02/01/79/1080020179.db2.gz ZPWGFHCCUZEWSH-QWHCGFSZSA-N 0 3 306.454 2.314 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001656077014 1080035144 /nfs/dbraw/zinc/03/51/44/1080035144.db2.gz GIDGFMDRAGVWCD-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1cncc(C)c1 ZINC001656078144 1080035468 /nfs/dbraw/zinc/03/54/68/1080035468.db2.gz VHANQIWCWXTVBV-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001656093384 1080041393 /nfs/dbraw/zinc/04/13/93/1080041393.db2.gz PDOWYNINVUNBHP-MRXNPFEDSA-N 0 3 304.438 2.406 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001656103040 1080043671 /nfs/dbraw/zinc/04/36/71/1080043671.db2.gz VPNCYMHZQNNQOA-AWEZNQCLSA-N 0 3 304.438 2.186 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001656160907 1080056420 /nfs/dbraw/zinc/05/64/20/1080056420.db2.gz YAEFJKDRNNJMQS-FPMFFAJLSA-N 0 3 319.453 2.261 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cncn1C ZINC001656440551 1080091340 /nfs/dbraw/zinc/09/13/40/1080091340.db2.gz FDHFYZGHEFHBAQ-GXTWGEPZSA-N 0 3 324.856 2.393 20 30 DEEDHN CC(C)C#CC(=O)N1CCCC[C@H]1CCNCc1cnns1 ZINC001268156754 1080131155 /nfs/dbraw/zinc/13/11/55/1080131155.db2.gz QNIWPZGCRYJGCH-AWEZNQCLSA-N 0 3 320.462 2.058 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1(CC)CCCCC1 ZINC001656877543 1080131956 /nfs/dbraw/zinc/13/19/56/1080131956.db2.gz QJLZKHVRZYIFGL-UHFFFAOYSA-N 0 3 308.466 2.387 20 30 DEEDHN C#CCCCC(=O)N1CCCCC[C@@H](NCc2cnn(C)c2)C1 ZINC001656886114 1080133979 /nfs/dbraw/zinc/13/39/79/1080133979.db2.gz PNIOUYKGMLTNBD-QGZVFWFLSA-N 0 3 316.449 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCCC[C@@H](NCC(=O)N(C)C)C1 ZINC001656898498 1080136034 /nfs/dbraw/zinc/13/60/34/1080136034.db2.gz DAPZYGIKJKDVKT-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)CCOc1cccc(F)c1 ZINC001485304607 1080141258 /nfs/dbraw/zinc/14/12/58/1080141258.db2.gz SAGJIVUFWZAGHT-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)SC ZINC001657055997 1080149260 /nfs/dbraw/zinc/14/92/60/1080149260.db2.gz KUYAEAOCJQHYIW-GJZGRUSLSA-N 0 3 314.495 2.253 20 30 DEEDHN C#CCCCCC(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001481621775 1080151379 /nfs/dbraw/zinc/15/13/79/1080151379.db2.gz VLNLZHWUVWYQLV-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001481627575 1080157071 /nfs/dbraw/zinc/15/70/71/1080157071.db2.gz CFNHOIHGKQBZBK-UHFFFAOYSA-N 0 3 310.397 2.355 20 30 DEEDHN C#CCCCC(=O)NC[C@H](NCc1cncc(F)c1)C(C)C ZINC001268209828 1080195980 /nfs/dbraw/zinc/19/59/80/1080195980.db2.gz OOUGIQVNBXUBNE-INIZCTEOSA-N 0 3 305.397 2.255 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](N[C@H](C)c2n[nH]c(C)n2)C(C)C)C1 ZINC001268215900 1080200981 /nfs/dbraw/zinc/20/09/81/1080200981.db2.gz CQOYBEAEUJVMAD-OCCSQVGLSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CC[C@H]1CCN(Cc2cnc3c(C(=O)OCC)cnn3c2)C1 ZINC001658631561 1080213735 /nfs/dbraw/zinc/21/37/35/1080213735.db2.gz MAYBNGNTCRFDMC-ZDUSSCGKSA-N 0 3 314.389 2.304 20 30 DEEDHN CO[C@@H](C)CN1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001268236904 1080218483 /nfs/dbraw/zinc/21/84/83/1080218483.db2.gz UGNHIYXVFSTSBR-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1n1cccn1 ZINC001268238778 1080219571 /nfs/dbraw/zinc/21/95/71/1080219571.db2.gz KYHPZTTZMNWVGE-IRXDYDNUSA-N 0 3 316.449 2.028 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001268243515 1080226345 /nfs/dbraw/zinc/22/63/45/1080226345.db2.gz MMRLGWKAWRHYGK-INIZCTEOSA-N 0 3 304.434 2.476 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cccnc1OCC(C)C ZINC001268255017 1080234284 /nfs/dbraw/zinc/23/42/84/1080234284.db2.gz KVBOOGZHTLPKDE-UHFFFAOYSA-N 0 3 305.422 2.306 20 30 DEEDHN C#C[C@@H](CO)N[C@H](C)Cc1ccc(F)cc1Br ZINC001659754421 1080250718 /nfs/dbraw/zinc/25/07/18/1080250718.db2.gz ZWXBDLTWGWVLHT-SKDRFNHKSA-N 0 3 300.171 2.103 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cc(C)n(C)n1 ZINC001268276107 1080255773 /nfs/dbraw/zinc/25/57/73/1080255773.db2.gz IMVBPVOJBJOEAF-NVXWUHKLSA-N 0 3 318.465 2.459 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)OCC ZINC001481672053 1080282241 /nfs/dbraw/zinc/28/22/41/1080282241.db2.gz WIPSHDDOHCQKKN-ULQDDVLXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(=O)oc1C ZINC001481673416 1080285447 /nfs/dbraw/zinc/28/54/47/1080285447.db2.gz CWYOHFOJPAFAKC-GJZGRUSLSA-N 0 3 316.401 2.122 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001485539357 1080286121 /nfs/dbraw/zinc/28/61/21/1080286121.db2.gz OBIWGAREESYLIM-GJZGRUSLSA-N 0 3 316.420 2.464 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2ccccc2Cl)C1 ZINC001485534556 1080289537 /nfs/dbraw/zinc/28/95/37/1080289537.db2.gz DWMYUHDHWBLOKP-CYBMUJFWSA-N 0 3 304.821 2.342 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC001485576063 1080317716 /nfs/dbraw/zinc/31/77/16/1080317716.db2.gz WTALIISYMZTEQO-BZUAXINKSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(COC)cc2)C1 ZINC001481700994 1080320575 /nfs/dbraw/zinc/32/05/75/1080320575.db2.gz KRHPJRSRNBILPU-GOSISDBHSA-N 0 3 314.429 2.327 20 30 DEEDHN CCN(CCCNC(=O)C#CC1CC1)Cc1scnc1C ZINC001660524621 1080349123 /nfs/dbraw/zinc/34/91/23/1080349123.db2.gz BPNUXVFBGJMOPN-UHFFFAOYSA-N 0 3 305.447 2.193 20 30 DEEDHN CC#CCN(CCCNC(=O)C(C)(C)C1CCOCC1)C1CC1 ZINC001660703515 1080383438 /nfs/dbraw/zinc/38/34/38/1080383438.db2.gz HSJMOGSSUKWFJZ-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@]1(C)CCC[C@@H]1C)C1CC1 ZINC001660719623 1080384345 /nfs/dbraw/zinc/38/43/45/1080384345.db2.gz SHCXWVPHJCYQOV-QFBILLFUSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC001660732647 1080389514 /nfs/dbraw/zinc/38/95/14/1080389514.db2.gz XZGGIAIZGNBWSB-UHFFFAOYSA-N 0 3 324.428 2.479 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)COC2CCCCC2)C1 ZINC001481731825 1080400560 /nfs/dbraw/zinc/40/05/60/1080400560.db2.gz ANGADDJVUKMWQU-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)C(C)(C)COC ZINC001268386752 1080404563 /nfs/dbraw/zinc/40/45/63/1080404563.db2.gz PLXKCXVXEALFIA-NSHDSACASA-N 0 3 321.259 2.052 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C2(C)CC(=C)C2)CC1 ZINC001660896226 1080413792 /nfs/dbraw/zinc/41/37/92/1080413792.db2.gz RXZYUVANNQSXTQ-UHFFFAOYSA-N 0 3 305.466 2.043 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2COC)C1 ZINC001661028505 1080429690 /nfs/dbraw/zinc/42/96/90/1080429690.db2.gz XEUBKNWDGGTULY-LBPRGKRZSA-N 0 3 309.435 2.060 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CN(CC)c2ccccc2)C1 ZINC001661045391 1080433483 /nfs/dbraw/zinc/43/34/83/1080433483.db2.gz IHBXFWDOYVEJOR-MRXNPFEDSA-N 0 3 301.434 2.280 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001481750937 1080438237 /nfs/dbraw/zinc/43/82/37/1080438237.db2.gz DSSPDHAVDNRHKO-CJNGLKHVSA-N 0 3 318.465 2.314 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCc2ccccn2)CC1 ZINC001661078072 1080438809 /nfs/dbraw/zinc/43/88/09/1080438809.db2.gz KCGCPGSKWWKMJR-KRWDZBQOSA-N 0 3 311.429 2.008 20 30 DEEDHN C=C(C)CC[NH2+][C@@H](CNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001661131698 1080446479 /nfs/dbraw/zinc/44/64/79/1080446479.db2.gz MHHMRKPNPNXMHR-HNNXBMFYSA-N 0 3 313.405 2.022 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001661418135 1080479811 /nfs/dbraw/zinc/47/98/11/1080479811.db2.gz ZSMQPNCNRPKWBF-NUXNZHGMSA-N 0 3 320.408 2.451 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001481771560 1080489176 /nfs/dbraw/zinc/48/91/76/1080489176.db2.gz XCSVAGMLCSHMKL-HNNXBMFYSA-N 0 3 320.408 2.486 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001661526527 1080490777 /nfs/dbraw/zinc/49/07/77/1080490777.db2.gz IYBAWJOOTIMRDD-NROIPSCVSA-N 0 3 312.841 2.178 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001661657500 1080504453 /nfs/dbraw/zinc/50/44/53/1080504453.db2.gz AQNOETQPDIEFLC-OKILXGFUSA-N 0 3 317.433 2.429 20 30 DEEDHN CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC001661728955 1080513475 /nfs/dbraw/zinc/51/34/75/1080513475.db2.gz WCTSVJUYBGHXMT-AWEZNQCLSA-N 0 3 307.442 2.217 20 30 DEEDHN CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC001661728955 1080513479 /nfs/dbraw/zinc/51/34/79/1080513479.db2.gz WCTSVJUYBGHXMT-AWEZNQCLSA-N 0 3 307.442 2.217 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001661742438 1080517369 /nfs/dbraw/zinc/51/73/69/1080517369.db2.gz CKMTZVUNOFARRK-JKSUJKDBSA-N 0 3 317.433 2.246 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001661748340 1080518020 /nfs/dbraw/zinc/51/80/20/1080518020.db2.gz PJHUJFNSEHMIRG-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1cccc(Cl)n1 ZINC001481808658 1080518695 /nfs/dbraw/zinc/51/86/95/1080518695.db2.gz CTIJBHJYRSUWMP-CYBMUJFWSA-N 0 3 307.825 2.379 20 30 DEEDHN C=CC(C)(C)C(=O)N(CC)CCNCC(=O)N1CCCC[C@H]1C ZINC001268469287 1080558287 /nfs/dbraw/zinc/55/82/87/1080558287.db2.gz KENWHJGQOCTKQN-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@@H](C)CNC(=O)C#CC(C)C ZINC001662213326 1080583893 /nfs/dbraw/zinc/58/38/93/1080583893.db2.gz KLXIYXIGZSFDLU-AWEZNQCLSA-N 0 3 304.438 2.026 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001662324612 1080596847 /nfs/dbraw/zinc/59/68/47/1080596847.db2.gz KYOZUHXDWQKQFJ-KGLIPLIRSA-N 0 3 322.836 2.188 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)NCC(=O)N[C@@H](C)CCC)CC1 ZINC001662330434 1080598064 /nfs/dbraw/zinc/59/80/64/1080598064.db2.gz ZKTIPVWAGANWEC-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CC12CC2 ZINC001268483343 1080602932 /nfs/dbraw/zinc/60/29/32/1080602932.db2.gz GPAKDYFSICJTEG-HNNXBMFYSA-N 0 3 315.392 2.436 20 30 DEEDHN C=CCOCCCC(=O)NCCNCc1cc(F)ccc1C ZINC001125247779 1080608181 /nfs/dbraw/zinc/60/81/81/1080608181.db2.gz GQJOKHRKGIPCQT-UHFFFAOYSA-N 0 3 308.397 2.323 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NCc2ccn(C)n2)C1 ZINC001662759717 1080649504 /nfs/dbraw/zinc/64/95/04/1080649504.db2.gz PUCSYWLKAYRWRO-CABCVRRESA-N 0 3 304.438 2.293 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001481981620 1080664682 /nfs/dbraw/zinc/66/46/82/1080664682.db2.gz UMMFQJUFDODEAB-CYBMUJFWSA-N 0 3 310.829 2.005 20 30 DEEDHN C[C@H](NC/C=C/CNC(=O)CSCC#N)c1cccc(F)c1 ZINC001268512736 1080698918 /nfs/dbraw/zinc/69/89/18/1080698918.db2.gz HJIQRKKPHXAQIA-IBUXWKBASA-N 0 3 321.421 2.405 20 30 DEEDHN COc1cccc([C@H](C)N(C)CCNC(=O)CSCC#N)c1 ZINC001663146601 1080709867 /nfs/dbraw/zinc/70/98/67/1080709867.db2.gz ORWFRPFMDFQBFZ-ZDUSSCGKSA-N 0 3 321.446 2.061 20 30 DEEDHN CCc1ccccc1CCN(C)CCNC(=O)C#CC(C)C ZINC001663176806 1080716261 /nfs/dbraw/zinc/71/62/61/1080716261.db2.gz YCBPPUHUJHDUGG-UHFFFAOYSA-N 0 3 300.446 2.499 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cc(Br)c[nH]1 ZINC001663222844 1080721510 /nfs/dbraw/zinc/72/15/10/1080721510.db2.gz SCSAGAMFAVPRMU-UHFFFAOYSA-N 0 3 300.200 2.015 20 30 DEEDHN C[C@H](C(=O)NC/C=C\CNCc1cccc(C#N)c1)n1cccc1 ZINC001268528120 1080722051 /nfs/dbraw/zinc/72/20/51/1080722051.db2.gz DUIUDSRWAFVUQC-RXYHWBRQSA-N 0 3 322.412 2.383 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001663513020 1080762512 /nfs/dbraw/zinc/76/25/12/1080762512.db2.gz PZSGDPBPWIFVHO-SJORKVTESA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](OCC)C1CCCC1 ZINC001663513018 1080762953 /nfs/dbraw/zinc/76/29/53/1080762953.db2.gz PZSGDPBPWIFVHO-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCC(=O)N1CCC2(CCN(Cc3cnn(C)c3)C2)CC1 ZINC001482068436 1080774816 /nfs/dbraw/zinc/77/48/16/1080774816.db2.gz ZTZDLRBAOQLPSL-UHFFFAOYSA-N 0 3 316.449 2.201 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(Cc2ccccn2)C1 ZINC001663566695 1080776300 /nfs/dbraw/zinc/77/63/00/1080776300.db2.gz LELHTNCUAMDDQG-HZPDHXFCSA-N 0 3 317.433 2.001 20 30 DEEDHN Cc1cccc(C(=O)NC[C@H](C)CNCc2ccccc2C#N)n1 ZINC001482080889 1080781399 /nfs/dbraw/zinc/78/13/99/1080781399.db2.gz QXQOBGIAYYVZQC-CQSZACIVSA-N 0 3 322.412 2.417 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(C(C)C)[nH]c1=O ZINC001663683748 1080802428 /nfs/dbraw/zinc/80/24/28/1080802428.db2.gz DMPPQFLVKPKIAV-UHFFFAOYSA-N 0 3 317.433 2.376 20 30 DEEDHN C#CCN(CCC)CCNC(=O)COc1cc(C)cc(C)c1 ZINC001663692357 1080804407 /nfs/dbraw/zinc/80/44/07/1080804407.db2.gz IYXIFJSMILSQKQ-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001663695988 1080804735 /nfs/dbraw/zinc/80/47/35/1080804735.db2.gz DOQRNFMAAWTELM-OAHLLOKOSA-N 0 3 304.821 2.441 20 30 DEEDHN CCCc1nc(CNC[C@H](C)CNC(=O)C#CC2CC2)cs1 ZINC001482102145 1080806703 /nfs/dbraw/zinc/80/67/03/1080806703.db2.gz QUQGOIAUTXBYNN-ZDUSSCGKSA-N 0 3 319.474 2.351 20 30 DEEDHN C=CCN(CCNC(=O)c1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001663761179 1080813756 /nfs/dbraw/zinc/81/37/56/1080813756.db2.gz KPWNTDOYSQXOHF-UHFFFAOYSA-N 0 3 311.385 2.321 20 30 DEEDHN Cc1cc[nH]c1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663911272 1080837150 /nfs/dbraw/zinc/83/71/50/1080837150.db2.gz VQMCZLBGIIFKKG-UHFFFAOYSA-N 0 3 314.364 2.196 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001663956739 1080841061 /nfs/dbraw/zinc/84/10/61/1080841061.db2.gz AJBJENXHVZZUSO-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccc(C(C)C)nc1CC ZINC001664190479 1080872788 /nfs/dbraw/zinc/87/27/88/1080872788.db2.gz DANNXWPXPORMIZ-UHFFFAOYSA-N 0 3 301.434 2.452 20 30 DEEDHN C#Cc1ccc(C(=O)NC/C=C/CNCc2cccc(F)c2)cn1 ZINC001268615749 1080892777 /nfs/dbraw/zinc/89/27/77/1080892777.db2.gz CFFRIQSRSOWCJM-ONEGZZNKSA-N 0 3 323.371 2.278 20 30 DEEDHN C=CCC1(C(=O)NC/C=C\CNCC#CCOC)CCCCC1 ZINC001268626971 1080902378 /nfs/dbraw/zinc/90/23/78/1080902378.db2.gz FJAVZIJXNFEESV-FPLPWBNLSA-N 0 3 318.461 2.425 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H](C)C1CC1 ZINC001268643144 1080911722 /nfs/dbraw/zinc/91/17/22/1080911722.db2.gz XKWWYZQFZRULAJ-ZIAGYGMSSA-N 0 3 302.393 2.318 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1[nH]c(=O)[nH]c1C)c1ccccc1 ZINC001664582924 1080927915 /nfs/dbraw/zinc/92/79/15/1080927915.db2.gz CALOFPUSYQTTJG-AWEZNQCLSA-N 0 3 314.389 2.061 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1c(C)nsc1C ZINC001268760578 1080971385 /nfs/dbraw/zinc/97/13/85/1080971385.db2.gz WIODPIMAZUZSNT-LLVKDONJSA-N 0 3 311.451 2.013 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2)C1 ZINC001664993383 1080982333 /nfs/dbraw/zinc/98/23/33/1080982333.db2.gz BTQZNJNAKGOXHV-FUHWJXTLSA-N 0 3 314.429 2.368 20 30 DEEDHN Cc1nc(C(C)C)oc1CNCCCN(C)C(=O)C#CC1CC1 ZINC001268792269 1080992310 /nfs/dbraw/zinc/99/23/10/1080992310.db2.gz ZUOQSUSUUIWIFX-UHFFFAOYSA-N 0 3 317.433 2.458 20 30 DEEDHN Cc1cnc(CNCCCN(C)C(=O)C#CC(C)(C)C)s1 ZINC001268791426 1080993811 /nfs/dbraw/zinc/99/38/11/1080993811.db2.gz LDNZVEVMCMMZQZ-UHFFFAOYSA-N 0 3 307.463 2.439 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCCNCc2nccnc2C)cc1 ZINC001268813291 1081004814 /nfs/dbraw/zinc/00/48/14/1081004814.db2.gz ZBILCPRGYWRNDU-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C2CC2)no1 ZINC001665396366 1081023956 /nfs/dbraw/zinc/02/39/56/1081023956.db2.gz JOVBVDKWZCSCIM-GJZGRUSLSA-N 0 3 315.417 2.346 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2n[nH]cc2c1 ZINC001665401228 1081025356 /nfs/dbraw/zinc/02/53/56/1081025356.db2.gz XUKDPIZNBOURQX-IRXDYDNUSA-N 0 3 324.428 2.357 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001268867526 1081026267 /nfs/dbraw/zinc/02/62/67/1081026267.db2.gz PNCPTLDSFFICFS-GDBMZVCRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c2ccccc2nn1C ZINC001665420880 1081027067 /nfs/dbraw/zinc/02/70/67/1081027067.db2.gz JZPPXXDFZAAZOL-GJZGRUSLSA-N 0 3 324.428 2.438 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1 ZINC001665416826 1081027414 /nfs/dbraw/zinc/02/74/14/1081027414.db2.gz NIIBTMAYAYZYMV-JYJNAYRXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001665592788 1081044440 /nfs/dbraw/zinc/04/44/40/1081044440.db2.gz WBNXAOLDCDZERF-MRXNPFEDSA-N 0 3 315.417 2.090 20 30 DEEDHN C#CCCN1CC(CNC(=O)C(C)(C)c2ccccc2OC)C1 ZINC001268917115 1081046599 /nfs/dbraw/zinc/04/65/99/1081046599.db2.gz KXTALPVPMWNJTE-UHFFFAOYSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)COc2ccccc2C)C1 ZINC001665682049 1081062372 /nfs/dbraw/zinc/06/23/72/1081062372.db2.gz SYJRGCCYISFTRV-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CCc2cccs2)C1 ZINC001665681392 1081063417 /nfs/dbraw/zinc/06/34/17/1081063417.db2.gz 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/nfs/dbraw/zinc/02/83/54/1082028354.db2.gz IPVXBKDMKXVALM-CZUORRHYSA-N 0 3 317.433 2.359 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccns1 ZINC001482487514 1082040564 /nfs/dbraw/zinc/04/05/64/1082040564.db2.gz ICFBATHGDDKZPU-ZFWWWQNUSA-N 0 3 323.462 2.062 20 30 DEEDHN O=C(Cc1ccc[nH]1)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001266444622 1082040691 /nfs/dbraw/zinc/04/06/91/1082040691.db2.gz AXJPVXJCFKZBAN-IBGZPJMESA-N 0 3 321.424 2.093 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001271617218 1082092085 /nfs/dbraw/zinc/09/20/85/1082092085.db2.gz MUZKZJSGSHZMCP-HOCLYGCPSA-N 0 3 318.465 2.269 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)[C@@H]2CC23CC3)c(F)c1 ZINC001167304492 1082094146 /nfs/dbraw/zinc/09/41/46/1082094146.db2.gz ZPLMNJBGXRJRLD-AWEZNQCLSA-N 0 3 301.365 2.093 20 30 DEEDHN Cc1cncc(CN2CC[C@H](CNC(=O)C#CC(C)(C)C)C2)c1 ZINC001266514234 1082095124 /nfs/dbraw/zinc/09/51/24/1082095124.db2.gz NYZMRCCUBZRLCV-MRXNPFEDSA-N 0 3 313.445 2.378 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001266539863 1082135394 /nfs/dbraw/zinc/13/53/94/1082135394.db2.gz KJWBIBRYYAQQEC-CABCVRRESA-N 0 3 302.393 2.391 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)COc2ccc(C)c(C)c2)C1 ZINC001266548471 1082143923 /nfs/dbraw/zinc/14/39/23/1082143923.db2.gz ATXQDJWQGKRFNQ-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](NCc1ccccc1F)C(C)C ZINC001482526370 1082155997 /nfs/dbraw/zinc/15/59/97/1082155997.db2.gz PDNKAOBFUDPLNV-SJLPKXTDSA-N 0 3 322.424 2.383 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)CO[C@H]1CCCC[C@@H]1C ZINC001266573454 1082167383 /nfs/dbraw/zinc/16/73/83/1082167383.db2.gz UWBJZBUGKCGIJQ-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CCN1CC1CCC2(CC2)CC1 ZINC001670640583 1082202188 /nfs/dbraw/zinc/20/21/88/1082202188.db2.gz GRMANXYFTVMEMG-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCCCCN1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 ZINC001271960055 1082208853 /nfs/dbraw/zinc/20/88/53/1082208853.db2.gz XJTBRPGXZMHDAL-IBGZPJMESA-N 0 3 320.477 2.335 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(-n2cccc2)ccn1)C1CC1 ZINC001266615616 1082216095 /nfs/dbraw/zinc/21/60/95/1082216095.db2.gz NVJANOILXLNAAJ-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cnn2c1C[C@H](C)CC2)C1CC1 ZINC001266617633 1082221124 /nfs/dbraw/zinc/22/11/24/1082221124.db2.gz QXJIRHWHKWJJOI-CQSZACIVSA-N 0 3 316.449 2.236 20 30 DEEDHN CC/C=C(\C)C(=O)N1CCC[C@@H]2CN(CC#CCOC)CC[C@H]21 ZINC001266658383 1082254476 /nfs/dbraw/zinc/25/44/76/1082254476.db2.gz CIPQKMRQZQPPOR-ACHCSXDHSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@H](C)c1cccc(F)c1 ZINC001482585423 1082282120 /nfs/dbraw/zinc/28/21/20/1082282120.db2.gz SCMYHJDIJUBNHQ-CQSZACIVSA-N 0 3 308.397 2.480 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001266767002 1082331066 /nfs/dbraw/zinc/33/10/66/1082331066.db2.gz KSNVRVBOFQACPE-SJORKVTESA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cc(OC)c(OC)cc1C ZINC001482650880 1082432712 /nfs/dbraw/zinc/43/27/12/1082432712.db2.gz YCOWHASNHDVKFG-UHFFFAOYSA-N 0 3 306.406 2.202 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCc2ccccn2)C1 ZINC001266898617 1082439034 /nfs/dbraw/zinc/43/90/34/1082439034.db2.gz XQAUNXXDYLOINS-DLBZAZTESA-N 0 3 313.445 2.254 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCN3CCF)C2)CCOCC1 ZINC001482668580 1082450856 /nfs/dbraw/zinc/45/08/56/1082450856.db2.gz WMBKOFUBPPOSAA-HZPDHXFCSA-N 0 3 324.440 2.252 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1nccs1 ZINC001482674403 1082460322 /nfs/dbraw/zinc/46/03/22/1082460322.db2.gz DSSQZUVSHAFHFL-UONOGXRCSA-N 0 3 305.447 2.321 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001482824114 1082518510 /nfs/dbraw/zinc/51/85/10/1082518510.db2.gz DNQXNFYJOKHWNB-QWRGUYRKSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CC)CCNCc1csc(C)c1 ZINC001482920979 1082558937 /nfs/dbraw/zinc/55/89/37/1082558937.db2.gz BHOYLPYUCHRAQB-INIZCTEOSA-N 0 3 310.463 2.322 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)C2CCC2)cc1C#N ZINC001482976454 1082591762 /nfs/dbraw/zinc/59/17/62/1082591762.db2.gz QVWGANDZIBPZGU-NSCUHMNNSA-N 0 3 313.401 2.129 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(Cl)ccc1OC ZINC001272165520 1082611112 /nfs/dbraw/zinc/61/11/12/1082611112.db2.gz ZIFQBGVMDSMOGH-UHFFFAOYSA-N 0 3 308.809 2.376 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001483034844 1082636974 /nfs/dbraw/zinc/63/69/74/1082636974.db2.gz NPQPCYPXFKEHPT-VOTSOKGWSA-N 0 3 312.413 2.256 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)CCn2cccc2)cc1 ZINC001483077112 1082694209 /nfs/dbraw/zinc/69/42/09/1082694209.db2.gz HJBNIWVKFKEUHO-UPHRSURJSA-N 0 3 322.412 2.212 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCOc1ccccc1C ZINC001483093650 1082703318 /nfs/dbraw/zinc/70/33/18/1082703318.db2.gz SDKSYDPKKNSKLI-FPLPWBNLSA-N 0 3 300.402 2.049 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001483110041 1082715398 /nfs/dbraw/zinc/71/53/98/1082715398.db2.gz QRPSGNHWICDDAV-QWHCGFSZSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H](C)NC(=O)C=C1CCC1 ZINC001483119342 1082727414 /nfs/dbraw/zinc/72/74/14/1082727414.db2.gz GUDOVJUMGXXHFO-CABCVRRESA-N 0 3 321.465 2.004 20 30 DEEDHN CO[C@@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C1CCC1 ZINC001483151957 1082778687 /nfs/dbraw/zinc/77/86/87/1082778687.db2.gz CSSKSDANUHSGRE-IAQYHMDHSA-N 0 3 321.446 2.029 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N1CCCCCC1 ZINC001483262044 1083064392 /nfs/dbraw/zinc/06/43/92/1083064392.db2.gz HFAIOPMCHXZPAS-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483329277 1083104942 /nfs/dbraw/zinc/10/49/42/1083104942.db2.gz AJNFHIMFGCOXMP-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1N(C)C ZINC001483331528 1083109279 /nfs/dbraw/zinc/10/92/79/1083109279.db2.gz QMVKIVBYCQAQSC-INIZCTEOSA-N 0 3 315.461 2.493 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1 ZINC001483337180 1083113681 /nfs/dbraw/zinc/11/36/81/1083113681.db2.gz DRHJDQFRTSGDKY-QIHJKWGNSA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001276439527 1083434895 /nfs/dbraw/zinc/43/48/95/1083434895.db2.gz GDUSWUGYKMISNX-RHSMWYFYSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001276440488 1083435719 /nfs/dbraw/zinc/43/57/19/1083435719.db2.gz XSCFDADEHXRWLO-RYUDHWBXSA-N 0 3 305.422 2.408 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)C3(C)CCC3)CCC[C@@H]12 ZINC001107502949 1083444309 /nfs/dbraw/zinc/44/43/09/1083444309.db2.gz MPNGWSNDGHQVRN-VQIMIIECSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001276460689 1083450217 /nfs/dbraw/zinc/45/02/17/1083450217.db2.gz PPEBBPKKGQDRBC-UONOGXRCSA-N 0 3 318.392 2.053 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001276469620 1083457286 /nfs/dbraw/zinc/45/72/86/1083457286.db2.gz WNZYNXKLAOWKQB-WMLDXEAASA-N 0 3 302.393 2.027 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccc(C)cc2)C(C)(C)C1 ZINC001276625426 1083519839 /nfs/dbraw/zinc/51/98/39/1083519839.db2.gz XTCBLWMRAXHBFO-QGZVFWFLSA-N 0 3 314.429 2.224 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)C1 ZINC001077645548 1083546294 /nfs/dbraw/zinc/54/62/94/1083546294.db2.gz LRHNWFJUEBAYRY-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2ccccn2)C1 ZINC001107687923 1083595420 /nfs/dbraw/zinc/59/54/20/1083595420.db2.gz WBALFHXKWBUSMH-MAUKXSAKSA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2cccnc2)C1 ZINC001107692608 1083601211 /nfs/dbraw/zinc/60/12/11/1083601211.db2.gz PVDNQRLEGOPKFB-CRAIPNDOSA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2cccn2C)C1 ZINC001107747370 1083668049 /nfs/dbraw/zinc/66/80/49/1083668049.db2.gz WYWFGYQZXKVLAW-CRAIPNDOSA-N 0 3 319.449 2.201 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001276964970 1083706004 /nfs/dbraw/zinc/70/60/04/1083706004.db2.gz ZVSOCGSOQZSYJC-OAHLLOKOSA-N 0 3 318.417 2.013 20 30 DEEDHN Cc1nocc1CNC[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001276976603 1083713598 /nfs/dbraw/zinc/71/35/98/1083713598.db2.gz GGZKXAFDJKYQBJ-CTYIDZIISA-N 0 3 303.406 2.017 20 30 DEEDHN N#CC1(NC(=O)[C@H]2CC23CCN(Cc2ccc[nH]2)CC3)CCC1 ZINC001277030008 1083739295 /nfs/dbraw/zinc/73/92/95/1083739295.db2.gz LSWLEHSWIWASGR-OAHLLOKOSA-N 0 3 312.417 2.179 20 30 DEEDHN Cc1cnc([C@H](C)NCCC[C@H](C)NC(=O)C#CC(C)C)cn1 ZINC001277187613 1083837059 /nfs/dbraw/zinc/83/70/59/1083837059.db2.gz VXEIQBKYLUVFTL-HOCLYGCPSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(OC)ns1 ZINC001277193357 1083839582 /nfs/dbraw/zinc/83/95/82/1083839582.db2.gz FDQFTVIDDJYGOY-SNVBAGLBSA-N 0 3 317.842 2.392 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107892120 1083841131 /nfs/dbraw/zinc/84/11/31/1083841131.db2.gz SMZOXCPPASNBHU-QAPCUYQASA-N 0 3 320.433 2.384 20 30 DEEDHN Cc1ccc(CN2CCC3(CCN(CCCC#N)C3=O)CC2)[nH]1 ZINC001272764376 1083972304 /nfs/dbraw/zinc/97/23/04/1083972304.db2.gz RDAVGVXNQPCDIK-UHFFFAOYSA-N 0 3 314.433 2.441 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001491125313 1084098989 /nfs/dbraw/zinc/09/89/89/1084098989.db2.gz IIXJWWOHGMJQSE-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCc2c(C)noc2Cl)C1 ZINC001491134050 1084103578 /nfs/dbraw/zinc/10/35/78/1084103578.db2.gz RTYMPDCPFUXTJF-ZDUSSCGKSA-N 0 3 323.824 2.030 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)COCCCC)C1 ZINC001670923702 1084148659 /nfs/dbraw/zinc/14/86/59/1084148659.db2.gz OIEWXDKKFYBWKV-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001491225151 1084168495 /nfs/dbraw/zinc/16/84/95/1084168495.db2.gz VNKNIHXRDBSPNF-HNNXBMFYSA-N 0 3 317.433 2.103 20 30 DEEDHN CC(C)C#CC(=O)N1CCCC[C@H]1CNCc1cncc(F)c1 ZINC001491246962 1084186017 /nfs/dbraw/zinc/18/60/17/1084186017.db2.gz HJCOLOGOLPPFSY-KRWDZBQOSA-N 0 3 317.408 2.351 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2CCCC2)C1 ZINC001491278239 1084199140 /nfs/dbraw/zinc/19/91/40/1084199140.db2.gz CHIPXGQJDXMZEH-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)COC2CCCC2)C1 ZINC001491284754 1084201824 /nfs/dbraw/zinc/20/18/24/1084201824.db2.gz UTLOZMUKMOLFJE-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2C)CC2(CCOCC2)C1 ZINC001089931070 1084207294 /nfs/dbraw/zinc/20/72/94/1084207294.db2.gz RECMGVQRRFQZOO-HNNXBMFYSA-N 0 3 317.433 2.110 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2cnccc2C)C1 ZINC001491287505 1084212076 /nfs/dbraw/zinc/21/20/76/1084212076.db2.gz NZEGXKHYCSWQOE-IRXDYDNUSA-N 0 3 313.445 2.173 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCN(C)c1ccccc1 ZINC001168624421 1084239642 /nfs/dbraw/zinc/23/96/42/1084239642.db2.gz KLJOLUXJNLMOPP-UHFFFAOYSA-N 0 3 309.841 2.361 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccn3ccnc3c1)CC2 ZINC001272818865 1084254108 /nfs/dbraw/zinc/25/41/08/1084254108.db2.gz LRIQVUZHRZLCIM-MRXNPFEDSA-N 0 3 324.428 2.239 20 30 DEEDHN Cc1ccoc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001491393061 1084276607 /nfs/dbraw/zinc/27/66/07/1084276607.db2.gz OBYKNBNMTXYMBP-LLVKDONJSA-N 0 3 303.387 2.429 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCC[C@@H](C)C1 ZINC001277921843 1084302864 /nfs/dbraw/zinc/30/28/64/1084302864.db2.gz JZTMDOQYSBNZEV-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001077896006 1084314051 /nfs/dbraw/zinc/31/40/51/1084314051.db2.gz JLEUBPKCPMRJLM-QBPKDAKJSA-N 0 3 308.466 2.186 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C2CC2)cnn1C ZINC001235156938 1084329899 /nfs/dbraw/zinc/32/98/99/1084329899.db2.gz GFSWJGUOTBSYLV-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@@H](C)F)CCOCC1 ZINC001235160004 1084330559 /nfs/dbraw/zinc/33/05/59/1084330559.db2.gz OEXMFRALJPQLGG-HZPDHXFCSA-N 0 3 324.440 2.087 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCC2CC2)CCOCC1 ZINC001235156752 1084330972 /nfs/dbraw/zinc/33/09/72/1084330972.db2.gz DWWVYAONCSDLAQ-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCc1ncc(C)o1 ZINC001235160073 1084331493 /nfs/dbraw/zinc/33/14/93/1084331493.db2.gz PWNAXOJAJKKRKT-HNNXBMFYSA-N 0 3 305.422 2.415 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC=C)CCOCC1 ZINC001235209284 1084344097 /nfs/dbraw/zinc/34/40/97/1084344097.db2.gz KEGJMJHWIPZSIT-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@H]2CCCO2)CCC1 ZINC001235208750 1084344977 /nfs/dbraw/zinc/34/49/77/1084344977.db2.gz GEHVOQYENAPJIA-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN CCCCc1ccc(C(=O)NC[C@@H](C)NCC#CCOC)cc1 ZINC001491519262 1084368483 /nfs/dbraw/zinc/36/84/83/1084368483.db2.gz CPBOWJIWYPGHCB-MRXNPFEDSA-N 0 3 316.445 2.387 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1cc(C2CC2)no1 ZINC001235302133 1084378032 /nfs/dbraw/zinc/37/80/32/1084378032.db2.gz DOOYGMRUAPJCAU-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN N#CCCN1CCC[C@@]2(CCCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277939451 1084405205 /nfs/dbraw/zinc/40/52/05/1084405205.db2.gz SPAFFFRATYGIQI-GOSISDBHSA-N 0 3 314.433 2.379 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1c(CC)noc1CC ZINC001235422654 1084426146 /nfs/dbraw/zinc/42/61/46/1084426146.db2.gz OGXYXXFVWYCHQJ-AWEZNQCLSA-N 0 3 319.449 2.451 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(OC)c1)CC2 ZINC001272895716 1084442754 /nfs/dbraw/zinc/44/27/54/1084442754.db2.gz IOQYLYLLDMSZTF-KRWDZBQOSA-N 0 3 312.413 2.047 20 30 DEEDHN COC1(CC(=O)N2CCC3(CN(CCCCC#N)C3)C2)CCC1 ZINC001277949554 1084447258 /nfs/dbraw/zinc/44/72/58/1084447258.db2.gz JNCYNBFVAGPPEV-UHFFFAOYSA-N 0 3 319.449 2.174 20 30 DEEDHN COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)N3CCCCC#N)CCC1 ZINC001277949835 1084450047 /nfs/dbraw/zinc/45/00/47/1084450047.db2.gz LHYYZKVTDBPMOS-IYBDPMFKSA-N 0 3 319.449 2.315 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1cccc2c1CCN(C[C@@H](C)O)C2 ZINC001272917348 1084470673 /nfs/dbraw/zinc/47/06/73/1084470673.db2.gz UNMLDQRJKUQENM-CQSZACIVSA-N 0 3 316.445 2.254 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235587084 1084472255 /nfs/dbraw/zinc/47/22/55/1084472255.db2.gz BTKNDNVNULUOMV-AWEZNQCLSA-N 0 3 311.470 2.001 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001078216064 1084592254 /nfs/dbraw/zinc/59/22/54/1084592254.db2.gz WHPMMNOWZRYWPC-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NC(=O)C(C)(C)N(C)CC)C1 ZINC001078280341 1084628202 /nfs/dbraw/zinc/62/82/02/1084628202.db2.gz AZIYDGHWMJRHRX-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@H]1C ZINC001078465681 1084703803 /nfs/dbraw/zinc/70/38/03/1084703803.db2.gz GRPNJQUPRVKBFQ-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)n(C)n2)C12CCC2 ZINC001078571131 1084751463 /nfs/dbraw/zinc/75/14/63/1084751463.db2.gz GDVIXIDNBUZAOD-UONOGXRCSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn(C)nc2C)C12CCC2 ZINC001078577487 1084753854 /nfs/dbraw/zinc/75/38/54/1084753854.db2.gz CLTCLTWHDGRJTL-UONOGXRCSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnn(CC)c2)C12CCC2 ZINC001078580459 1084756657 /nfs/dbraw/zinc/75/66/57/1084756657.db2.gz HJZKDDSCXQWGKK-KBPBESRZSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C12CCC2 ZINC001078588568 1084760174 /nfs/dbraw/zinc/76/01/74/1084760174.db2.gz DCQJSDNMOHFRIZ-KGLIPLIRSA-N 0 3 318.808 2.269 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C12CCC2 ZINC001078598615 1084763251 /nfs/dbraw/zinc/76/32/51/1084763251.db2.gz HCWWUFKCYSELTG-ZIAGYGMSSA-N 0 3 318.808 2.269 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccc(C)nn2)C12CCC2 ZINC001078622568 1084782960 /nfs/dbraw/zinc/78/29/60/1084782960.db2.gz XMUQBPVIXKGXOH-ZIAGYGMSSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cnc(C)n2C)C12CCC2 ZINC001078707679 1084819237 /nfs/dbraw/zinc/81/92/37/1084819237.db2.gz CHUMSPLYFKTJBU-KGLIPLIRSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nocc2C)C12CCC2 ZINC001078774430 1084868506 /nfs/dbraw/zinc/86/85/06/1084868506.db2.gz XRGFOTPFOVUCRB-NWDGAFQWSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2oncc2C)C12CCC2 ZINC001078764412 1084877806 /nfs/dbraw/zinc/87/78/06/1084877806.db2.gz SFMJIUJDWFZJQF-VXGBXAGGSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C12CCC2 ZINC001078833108 1084915826 /nfs/dbraw/zinc/91/58/26/1084915826.db2.gz TWCLSYZOJVHGNZ-NWDGAFQWSA-N 0 3 308.813 2.101 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1nccc2ccsc21 ZINC001485885706 1084962501 /nfs/dbraw/zinc/96/25/01/1084962501.db2.gz PFKFXYBPGDQDLB-LBPRGKRZSA-N 0 3 301.415 2.370 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NCc1ccc(C#N)c(F)c1 ZINC001485909538 1084974284 /nfs/dbraw/zinc/97/42/84/1084974284.db2.gz OHIPPZSKJLZYEU-TYNCELHUSA-N 0 3 303.381 2.290 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COc1ccccc1CC ZINC001485951332 1084997722 /nfs/dbraw/zinc/99/77/22/1084997722.db2.gz IVBSVIJZYCGUED-HNNXBMFYSA-N 0 3 302.418 2.088 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1csc(-c2ccoc2)n1 ZINC001485935315 1085004444 /nfs/dbraw/zinc/00/44/44/1085004444.db2.gz XAAISRLMLPWGPG-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001486067325 1085039988 /nfs/dbraw/zinc/03/99/88/1085039988.db2.gz YPDNYDBCEKNJJW-GPANFISMSA-N 0 3 310.482 2.482 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)c1cccc(C2CCCC2)c1 ZINC001486052857 1085044874 /nfs/dbraw/zinc/04/48/74/1085044874.db2.gz PQIIJGHBPIWXHM-KRWDZBQOSA-N 0 3 302.418 2.211 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(OC)cc2)C1 ZINC001486125511 1085078587 /nfs/dbraw/zinc/07/85/87/1085078587.db2.gz BSLRGHTZRBUDEO-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2cc(C)ns2)C[C@H]1C ZINC001486137377 1085083550 /nfs/dbraw/zinc/08/35/50/1085083550.db2.gz VDGYIVPYWFRBRU-ZIAGYGMSSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)COc2ccc(C)cc2C)C1 ZINC001486126861 1085094566 /nfs/dbraw/zinc/09/45/66/1085094566.db2.gz HGSQFPJITDVODL-SJORKVTESA-N 0 3 314.429 2.285 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)/C=C\c2ccco2)[C@@H]1C ZINC001486168346 1085103097 /nfs/dbraw/zinc/10/30/97/1085103097.db2.gz WQQBSJWSQBTADM-UTXVFXJSSA-N 0 3 318.417 2.465 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCc2c(C)n[nH]c2C)[C@H]1C ZINC001486188193 1085116505 /nfs/dbraw/zinc/11/65/05/1085116505.db2.gz XPTOJBZACIRXFX-ZBFHGGJFSA-N 0 3 304.438 2.114 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000960260155 1085170133 /nfs/dbraw/zinc/17/01/33/1085170133.db2.gz COWCNLHPQKOCST-QZTJIDSGSA-N 0 3 320.396 2.448 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cn2c(n1)CCC2 ZINC000960267936 1085172425 /nfs/dbraw/zinc/17/24/25/1085172425.db2.gz IDWQBTQAUMWONB-CRAIPNDOSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(F)CCOCC1 ZINC000960271126 1085174549 /nfs/dbraw/zinc/17/45/49/1085174549.db2.gz LJPSSWIMLUGMJM-HZPDHXFCSA-N 0 3 318.392 2.063 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cncc(C)c1 ZINC000960294914 1085185587 /nfs/dbraw/zinc/18/55/87/1085185587.db2.gz DKJLCEDWXPCOPN-UYAOXDASSA-N 0 3 321.424 2.490 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccncn1 ZINC000960313305 1085192895 /nfs/dbraw/zinc/19/28/95/1085192895.db2.gz DMHGRTMYWWHGFV-IAGOWNOFSA-N 0 3 308.385 2.038 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncccc1OC ZINC000960325698 1085198293 /nfs/dbraw/zinc/19/82/93/1085198293.db2.gz QWIKJIGVXLQQPO-NVXWUHKLSA-N 0 3 323.396 2.262 20 30 DEEDHN C=CCOCCN1CCC([C@@H](C)NC(=O)C(=O)C(C)(C)C)CC1 ZINC001486435705 1085310216 /nfs/dbraw/zinc/31/02/16/1085310216.db2.gz LPGABLAAXKMINK-CQSZACIVSA-N 0 3 324.465 2.021 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000960488263 1085311237 /nfs/dbraw/zinc/31/12/37/1085311237.db2.gz AHLUBWIMCJIWQH-PBHICJAKSA-N 0 3 310.401 2.141 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc(C)c1Cl ZINC000961048011 1085553436 /nfs/dbraw/zinc/55/34/36/1085553436.db2.gz QQMNWPGQRXHPLO-HALDLXJZSA-N 0 3 304.821 2.423 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)onc1C1CC1 ZINC000961202543 1085634882 /nfs/dbraw/zinc/63/48/82/1085634882.db2.gz AYVZSOMLFLTYTR-VIKVFOODSA-N 0 3 301.390 2.097 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC000961343649 1085697822 /nfs/dbraw/zinc/69/78/22/1085697822.db2.gz BGSLOQLEBDWVHP-UIBIWLFHSA-N 0 3 312.413 2.012 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc2ccccc2c1OC ZINC000961451479 1085737008 /nfs/dbraw/zinc/73/70/08/1085737008.db2.gz QUCHFXBASIFDGJ-NHAGDIPZSA-N 0 3 312.369 2.287 20 30 DEEDHN N#Cc1ccc(F)c(CNCC2CC(NC(=O)CC3CC3)C2)c1 ZINC000961466241 1085743430 /nfs/dbraw/zinc/74/34/30/1085743430.db2.gz KBGKECQZDCUPON-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC000966048272 1085766245 /nfs/dbraw/zinc/76/62/45/1085766245.db2.gz PSRFDVBHFLRKEU-GDBMZVCRSA-N 0 3 316.449 2.007 20 30 DEEDHN C=C(C)CCC(=O)NCCNCC(=O)N[C@@H](C)CCCCC ZINC001128413283 1085772003 /nfs/dbraw/zinc/77/20/03/1085772003.db2.gz ANNKGLCGENWCQJ-HNNXBMFYSA-N 0 3 311.470 2.134 20 30 DEEDHN C=CCN1C(=O)C[C@@]2(CCCN(Cc3ccccc3C#N)C2)C1=O ZINC001272989787 1085816574 /nfs/dbraw/zinc/81/65/74/1085816574.db2.gz FHXAJTJTPIKEOP-LJQANCHMSA-N 0 3 323.396 2.085 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3cncn3C)CC2)C1=O ZINC001272996227 1085854286 /nfs/dbraw/zinc/85/42/86/1085854286.db2.gz DOZWFFOYLMYNQB-GOSISDBHSA-N 0 3 316.449 2.201 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)CN(CC)CC)CC1 ZINC001078876191 1085886395 /nfs/dbraw/zinc/88/63/95/1085886395.db2.gz QBIITVCQLGFPNU-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccoc2)s1 ZINC000961972465 1085926231 /nfs/dbraw/zinc/92/62/31/1085926231.db2.gz MECNGQUOGKZPEF-IMRBUKKESA-N 0 3 315.398 2.249 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC000961997023 1085937859 /nfs/dbraw/zinc/93/78/59/1085937859.db2.gz XJDQDZFIHZOKCT-FAHYXWLWSA-N 0 3 302.443 2.392 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)nc1OCCC ZINC000962172119 1085991241 /nfs/dbraw/zinc/99/12/41/1085991241.db2.gz NPIRBCNYWUWLPQ-ZSHCYNCHSA-N 0 3 315.417 2.025 20 30 DEEDHN C=C1CCC(C(=O)NC2CC(CNCc3ccn(C)n3)C2)CC1 ZINC000962260327 1086040858 /nfs/dbraw/zinc/04/08/58/1086040858.db2.gz WTFXPXIKVPVOFV-UHFFFAOYSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1OC(C)C ZINC000962367074 1086086119 /nfs/dbraw/zinc/08/61/19/1086086119.db2.gz SKTYCDGWAYOCCZ-QLPKVWCKSA-N 0 3 300.402 2.320 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c(cccc2OC)[nH]1 ZINC000962533895 1086154474 /nfs/dbraw/zinc/15/44/74/1086154474.db2.gz NBDNPKVYGABZSK-LAQFHYBYSA-N 0 3 311.385 2.023 20 30 DEEDHN C#CCNC1(CNC(=O)c2nc(C(C)(C)C)cs2)CCC1 ZINC001273100325 1086177384 /nfs/dbraw/zinc/17/73/84/1086177384.db2.gz WDHJQMWMXKPXGE-UHFFFAOYSA-N 0 3 305.447 2.316 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C3CC3)nn2CC)CCC1 ZINC001273106143 1086202541 /nfs/dbraw/zinc/20/25/41/1086202541.db2.gz KQJQRLCCRZDRPM-UHFFFAOYSA-N 0 3 314.433 2.046 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3ccncn3)CC2)C1=O ZINC001273116063 1086249454 /nfs/dbraw/zinc/24/94/54/1086249454.db2.gz XLFVLTSARXLUOD-GOSISDBHSA-N 0 3 314.433 2.257 20 30 DEEDHN C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000963261364 1086359014 /nfs/dbraw/zinc/35/90/14/1086359014.db2.gz ZNMQTHHDWDEFGR-WBVHZDCISA-N 0 3 312.413 2.342 20 30 DEEDHN C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000963261364 1086359026 /nfs/dbraw/zinc/35/90/26/1086359026.db2.gz ZNMQTHHDWDEFGR-WBVHZDCISA-N 0 3 312.413 2.342 20 30 DEEDHN N#Cc1ccccc1CNC1CC2(C1)CC(NC(=O)C(F)F)C2 ZINC000963451188 1086459921 /nfs/dbraw/zinc/45/99/21/1086459921.db2.gz HKLGPLPNTWJGSC-UHFFFAOYSA-N 0 3 319.355 2.340 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc(C)n[nH]1)C2 ZINC000963593843 1086506018 /nfs/dbraw/zinc/50/60/18/1086506018.db2.gz JKTUQVMNGFSLNP-UHFFFAOYSA-N 0 3 308.813 2.101 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2cc(F)cc(F)c2)CCC1 ZINC001129120912 1086596935 /nfs/dbraw/zinc/59/69/35/1086596935.db2.gz JVRKGZBVXKNEJZ-UHFFFAOYSA-N 0 3 306.356 2.364 20 30 DEEDHN C=CCn1c(N2CCN(C)[C@@H](C(C)C)C2)nnc1C(C)(F)F ZINC001351705616 1151600289 /nfs/dbraw/zinc/60/02/89/1151600289.db2.gz YIQUZFJOIKLFOK-GFCCVEGCSA-N 0 3 313.396 2.352 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cnccc3OC)C2)C1=O ZINC001273184899 1087229775 /nfs/dbraw/zinc/22/97/75/1087229775.db2.gz KECCXUFUOHSVOA-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc3ccsc32)[C@@H](O)C1 ZINC001083919073 1087670164 /nfs/dbraw/zinc/67/01/64/1087670164.db2.gz HLAOOACDPZDPBM-CABCVRRESA-N 0 3 316.426 2.252 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114729334 1088305141 /nfs/dbraw/zinc/30/51/41/1088305141.db2.gz PEYHJYUZVUABCU-NWGLXNPWSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001079684109 1088315258 /nfs/dbraw/zinc/31/52/58/1088315258.db2.gz WYSAZRUIWOMGBY-UKRRQHHQSA-N 0 3 304.438 2.170 20 30 DEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001079722905 1088356669 /nfs/dbraw/zinc/35/66/69/1088356669.db2.gz RYNNWZNYUCVGOZ-VXGBXAGGSA-N 0 3 309.435 2.168 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001079731912 1088366152 /nfs/dbraw/zinc/36/61/52/1088366152.db2.gz OKMHNUZKRGWKQT-CZUORRHYSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001079822670 1088431761 /nfs/dbraw/zinc/43/17/61/1088431761.db2.gz OMMPDLRXLNCWES-CRAIPNDOSA-N 0 3 309.413 2.321 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001079831044 1088434510 /nfs/dbraw/zinc/43/45/10/1088434510.db2.gz FLKBYFSZFDMWCQ-ZYHUDNBSSA-N 0 3 310.829 2.252 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2[C@H]3CN(CCOCC(C)C)C[C@H]32)CCC1 ZINC001114786034 1088490667 /nfs/dbraw/zinc/49/06/67/1088490667.db2.gz ZYJNFOJNEBFJFF-FVQHAEBGSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001080099532 1088622289 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C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cccc(C)c2Cl)C1 ZINC000958493388 1089015016 /nfs/dbraw/zinc/01/50/16/1089015016.db2.gz GHXMRJYGZPGLBI-ZFWWWQNUSA-N 0 3 322.836 2.247 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001080627889 1089110285 /nfs/dbraw/zinc/11/02/85/1089110285.db2.gz RDEOQTHIUDCHBB-DJIMGWMZSA-N 0 3 312.413 2.013 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3nccnc32)C1 ZINC001080666610 1089122479 /nfs/dbraw/zinc/12/24/79/1089122479.db2.gz RZQPJMZWLZOBEE-CZUORRHYSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(CC(C)C)cc2)C1 ZINC000958658323 1089130134 /nfs/dbraw/zinc/13/01/34/1089130134.db2.gz YBFCZLDPNZRIEZ-ZWKOTPCHSA-N 0 3 316.445 2.094 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001080798472 1089184886 /nfs/dbraw/zinc/18/48/86/1089184886.db2.gz JFOFOQBVTMXUOD-GDBMZVCRSA-N 0 3 323.396 2.415 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001080809532 1089192185 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C[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1NCc1ccc(C#N)s1 ZINC001082763429 1090070104 /nfs/dbraw/zinc/07/01/04/1090070104.db2.gz VAFUGOUUQWOKHV-BYCMXARLSA-N 0 3 315.442 2.356 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CC3CC(C)(C)C3)[C@H]2C1 ZINC001083171259 1090172513 /nfs/dbraw/zinc/17/25/13/1090172513.db2.gz URCKXAFHAPYLPE-JKSUJKDBSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCCC3(C)C)[C@H]2C1 ZINC001083169043 1090172845 /nfs/dbraw/zinc/17/28/45/1090172845.db2.gz ZUXFNMFNPASJSF-HRCADAONSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2ccc3ccccc3c2)[C@@H](O)C1 ZINC001084040891 1090190658 /nfs/dbraw/zinc/19/06/58/1090190658.db2.gz BXRXAWPSFZQBOV-MOPGFXCFSA-N 0 3 324.424 2.120 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCC(OC)CC3)[C@@H]2C1 ZINC001084617647 1090350691 /nfs/dbraw/zinc/35/06/91/1090350691.db2.gz FMQSILOYRAKRNJ-MNAZLIDISA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2C1 ZINC001084722143 1090410571 /nfs/dbraw/zinc/41/05/71/1090410571.db2.gz AQVUPSLILIZEKR-QGPMSJSTSA-N 0 3 324.424 2.180 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(CCC)on3)[C@@H]2C1 ZINC001084750914 1090422403 /nfs/dbraw/zinc/42/24/03/1090422403.db2.gz LUAGYDVQGQIKAN-CZUORRHYSA-N 0 3 303.406 2.350 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)CSCC#N ZINC001098923142 1090473846 /nfs/dbraw/zinc/47/38/46/1090473846.db2.gz ZFYRWHWJSSVEQY-AWEZNQCLSA-N 0 3 309.479 2.426 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C[C@@H]21 ZINC001084971268 1090553944 /nfs/dbraw/zinc/55/39/44/1090553944.db2.gz WBNDMLOAYRKNBR-JQHSSLGASA-N 0 3 311.429 2.131 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C[C@@H]21 ZINC001085057654 1090619489 /nfs/dbraw/zinc/61/94/89/1090619489.db2.gz PGBQNMYTWJWOBJ-WQVCFCJDSA-N 0 3 316.449 2.239 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C3CCOCC3)C[C@@H]21 ZINC001085108328 1090650612 /nfs/dbraw/zinc/65/06/12/1090650612.db2.gz ALLALWYVFAAXMS-UAGQMJEPSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3cccnn3)CC2)C1=O ZINC001273269253 1090673917 /nfs/dbraw/zinc/67/39/17/1090673917.db2.gz VXLVSCYKCPNSGN-SFHVURJKSA-N 0 3 314.433 2.257 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(F)ccc3OC)C2)C1=O ZINC001273321258 1091037170 /nfs/dbraw/zinc/03/71/70/1091037170.db2.gz TVRANOIBDXHJGQ-GOSISDBHSA-N 0 3 318.392 2.445 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2nccn2c1 ZINC001273401365 1091196380 /nfs/dbraw/zinc/19/63/80/1091196380.db2.gz MDPISJQGECLRBE-IAGOWNOFSA-N 0 3 324.428 2.476 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C(C)(C)C1 ZINC001274437212 1091241972 /nfs/dbraw/zinc/24/19/72/1091241972.db2.gz RYUPATKCAKRMOG-GDBMZVCRSA-N 0 3 318.465 2.230 20 30 DEEDHN CCN(CCNC(=O)c1nocc1C)Cc1cccc(C#N)c1 ZINC001493040676 1091277758 /nfs/dbraw/zinc/27/77/58/1091277758.db2.gz AMZUNIUASSEFSZ-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(CCOCC)CCC2)C[C@H]1C ZINC001274623853 1091335605 /nfs/dbraw/zinc/33/56/05/1091335605.db2.gz 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ZINC001671076008 1091734984 /nfs/dbraw/zinc/73/49/84/1091734984.db2.gz ZCOFXZBSKRZXHE-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C)CCCCC1 ZINC001275451629 1091760279 /nfs/dbraw/zinc/76/02/79/1091760279.db2.gz LDLXKDFLEBQTHE-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001276276565 1091760624 /nfs/dbraw/zinc/76/06/24/1091760624.db2.gz BRLMTYABCPSLAZ-IRXDYDNUSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001276299471 1091774109 /nfs/dbraw/zinc/77/41/09/1091774109.db2.gz KDDRVAVUVDARLI-DOTOQJQBSA-N 0 3 318.465 2.374 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C(C)C)CCC1 ZINC001275479682 1091786823 /nfs/dbraw/zinc/78/68/23/1091786823.db2.gz CBXHRHWFZKJVDH-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCCNCc2nnc(C)[nH]2)C1 ZINC001175151057 1091844432 /nfs/dbraw/zinc/84/44/32/1091844432.db2.gz VCLSCGDUCQJXBI-CYBMUJFWSA-N 0 3 319.453 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C=C1CCC(C(=O)N[C@@H](C)CCNCc2cnnn2CC)CC1 ZINC001320545598 1140877956 /nfs/dbraw/zinc/87/79/56/1140877956.db2.gz YRCWUYVUWPKARS-AWEZNQCLSA-N 0 3 319.453 2.029 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)COc2ccccc2OC)C1 ZINC001278443456 1140887361 /nfs/dbraw/zinc/88/73/61/1140887361.db2.gz AKKNJUNBNDOYSO-GOSISDBHSA-N 0 3 318.417 2.231 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cn(C)nc1C(C)C ZINC001320634485 1140888009 /nfs/dbraw/zinc/88/80/09/1140888009.db2.gz RNCWNNJGBPGFLZ-GFCCVEGCSA-N 0 3 312.845 2.394 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)Oc1ccccc1F ZINC001320744155 1140905474 /nfs/dbraw/zinc/90/54/74/1140905474.db2.gz LQPXLZFFLIBEDD-AWEZNQCLSA-N 0 3 306.381 2.054 20 30 DEEDHN C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001278457275 1141001581 /nfs/dbraw/zinc/00/15/81/1141001581.db2.gz YWHLVQCZZVXQBM-GOSISDBHSA-N 0 3 318.417 2.037 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)C(F)(F)F)CCC[C@H]12 ZINC001278459787 1141021496 /nfs/dbraw/zinc/02/14/96/1141021496.db2.gz OGOQAHUPQUAOBJ-SGMGOOAPSA-N 0 3 302.340 2.321 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCCN2CCC)n1 ZINC001321008041 1141027139 /nfs/dbraw/zinc/02/71/39/1141027139.db2.gz YWZARJZDAYKMMZ-KRWDZBQOSA-N 0 3 316.449 2.129 20 30 DEEDHN CS[C@H](C)CC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001321031606 1141035195 /nfs/dbraw/zinc/03/51/95/1141035195.db2.gz NLYYVLQOCSEQQP-RDFMZFSFSA-N 0 3 317.458 2.462 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001321201469 1141083816 /nfs/dbraw/zinc/08/38/16/1141083816.db2.gz WUNKUBIUUTXVLU-QGZUEGPWSA-N 0 3 321.371 2.453 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001321363416 1141204984 /nfs/dbraw/zinc/20/49/84/1141204984.db2.gz PDSKLZZEVGSHMB-AWFCHZOYSA-N 0 3 302.805 2.265 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001321363415 1141206088 /nfs/dbraw/zinc/20/60/88/1141206088.db2.gz PDSKLZZEVGSHMB-APHBUQMISA-N 0 3 302.805 2.265 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)C[C@@H](C)c1ccccc1 ZINC001321379300 1141217161 /nfs/dbraw/zinc/21/71/61/1141217161.db2.gz WVBOGNLUGKRLOJ-JTGQJZMRSA-N 0 3 314.429 2.092 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1cc(C)c(Cl)cc1C ZINC001321609500 1141315586 /nfs/dbraw/zinc/31/55/86/1141315586.db2.gz OELJVACSEIVLGK-CQSZACIVSA-N 0 3 322.836 2.315 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001321663894 1141324774 /nfs/dbraw/zinc/32/47/74/1141324774.db2.gz XCJSUFYQEPWJFE-DAYGRLMNSA-N 0 3 308.466 2.193 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1CC ZINC001322158924 1141420778 /nfs/dbraw/zinc/42/07/78/1141420778.db2.gz WTHJPYZUMUECPV-JKSUJKDBSA-N 0 3 316.445 2.224 20 30 DEEDHN CN(CCCNCc1cnc(Cl)s1)C(=O)C#CC1CC1 ZINC001322502985 1141613578 /nfs/dbraw/zinc/61/35/78/1141613578.db2.gz SQTPQAFGRPSTKL-UHFFFAOYSA-N 0 3 311.838 2.148 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCn2cccn2)[C@H]1C ZINC001278509494 1141827561 /nfs/dbraw/zinc/82/75/61/1141827561.db2.gz AZGCHXVITGSSMX-JKSUJKDBSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1cccc(OC)c1 ZINC001323271898 1141835222 /nfs/dbraw/zinc/83/52/22/1141835222.db2.gz BMNCSCKAENIIDZ-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1cccc(OC)c1 ZINC001323271897 1141835418 /nfs/dbraw/zinc/83/54/18/1141835418.db2.gz BMNCSCKAENIIDZ-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001323436456 1141853347 /nfs/dbraw/zinc/85/33/47/1141853347.db2.gz XCJJJVGJRUCCOC-KRWDZBQOSA-N 0 3 320.408 2.200 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(N(C)CCC)cc2)CC1 ZINC001323623626 1141871569 /nfs/dbraw/zinc/87/15/69/1141871569.db2.gz CWFGGJQGTAOZAN-UHFFFAOYSA-N 0 3 313.445 2.408 20 30 DEEDHN COc1ccc2[nH]c(CN3CCC4SC(=O)C=C4C3)nc2c1 ZINC001249412908 1141885238 /nfs/dbraw/zinc/88/52/38/1141885238.db2.gz ZELWUTPIDREXDY-CQSZACIVSA-N 0 3 315.398 2.346 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](CCC)OCC)C2)C1 ZINC001323858840 1141893724 /nfs/dbraw/zinc/89/37/24/1141893724.db2.gz GLYGKPYIYDZDQQ-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCn2ccnc2)[C@@H]1C ZINC001278533508 1142019598 /nfs/dbraw/zinc/01/95/98/1142019598.db2.gz UXZRKUYADVFEPW-JKSUJKDBSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H]1C ZINC001278533667 1142021048 /nfs/dbraw/zinc/02/10/48/1142021048.db2.gz XTDFLFYKPCXOAE-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)CCCCC)C2)CC1 ZINC001324352024 1142060616 /nfs/dbraw/zinc/06/06/16/1142060616.db2.gz HFFVHRCMMPIGDV-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)CSC)C2 ZINC001324550504 1142098186 /nfs/dbraw/zinc/09/81/86/1142098186.db2.gz UROVPYAHDOXUIB-NVXWUHKLSA-N 0 3 308.491 2.323 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)OCC)C2 ZINC001324548893 1142098423 /nfs/dbraw/zinc/09/84/23/1142098423.db2.gz IKNNTZRPSDEWCJ-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)[C@H](C)C(CC)CC)CC2)C1 ZINC001324560919 1142104625 /nfs/dbraw/zinc/10/46/25/1142104625.db2.gz RVCXHJMHUFUZET-AEFFLSMTSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001278585483 1142246874 /nfs/dbraw/zinc/24/68/74/1142246874.db2.gz LWCQFLBMDWRXGS-CABCVRRESA-N 0 3 318.465 2.490 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2)cn1 ZINC001250689362 1142269052 /nfs/dbraw/zinc/26/90/52/1142269052.db2.gz IFQDWPVKQUUYOL-OAHLLOKOSA-N 0 3 317.776 2.136 20 30 DEEDHN C#CCC[NH+]1CCC(C)(CNC(=O)c2ccccc2[O-])CC1 ZINC001278594214 1142294148 /nfs/dbraw/zinc/29/41/48/1142294148.db2.gz SLVTUGCVSKYYML-UHFFFAOYSA-N 0 3 300.402 2.247 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2cccc(F)c2)cc1F ZINC001250831747 1142329391 /nfs/dbraw/zinc/32/93/91/1142329391.db2.gz RPSPDHZQBZYDRY-OAHLLOKOSA-N 0 3 318.323 2.366 20 30 DEEDHN N=C(NC[C@H](O)COc1ccccc1)c1ccc2ccccc2n1 ZINC001251247500 1142406815 /nfs/dbraw/zinc/40/68/15/1142406815.db2.gz GXDGIOXCPGMMIO-HNNXBMFYSA-N 0 3 321.380 2.380 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC001336451646 1142473037 /nfs/dbraw/zinc/47/30/37/1142473037.db2.gz YUFVHWBXGOMXGG-AWEZNQCLSA-N 0 3 315.417 2.259 20 30 DEEDHN N#CCOc1cccc(CNCc2ccccc2-n2cncn2)c1 ZINC001251831232 1142517367 /nfs/dbraw/zinc/51/73/67/1142517367.db2.gz WRIAMBLTYSYTPX-UHFFFAOYSA-N 0 3 319.368 2.459 20 30 DEEDHN C#CCOC[C@H](O)CN1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001251835447 1142522029 /nfs/dbraw/zinc/52/20/29/1142522029.db2.gz KGOKHCPBVHPIIO-OAHLLOKOSA-N 0 3 323.820 2.194 20 30 DEEDHN C=C(C)CCC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001337115953 1142687902 /nfs/dbraw/zinc/68/79/02/1142687902.db2.gz YXSFVLPTZFRLKM-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCOCC(F)(F)F)C1 ZINC001278668548 1142732687 /nfs/dbraw/zinc/73/26/87/1142732687.db2.gz OTPLZMJHIRBGGE-AWEZNQCLSA-N 0 3 322.371 2.360 20 30 DEEDHN C=C[C@@](C)(O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001252549854 1142759570 /nfs/dbraw/zinc/75/95/70/1142759570.db2.gz KFAYKTXFLUWCHL-QGZVFWFLSA-N 0 3 301.390 2.316 20 30 DEEDHN C=C[C@@](C)(O)CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001252555412 1142762070 /nfs/dbraw/zinc/76/20/70/1142762070.db2.gz UOXNDTAUBQOABE-BXKDBHETSA-N 0 3 305.300 2.205 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H]1CCOc2ccc(C(=O)OC)cc21 ZINC001252624280 1142794291 /nfs/dbraw/zinc/79/42/91/1142794291.db2.gz CJSIGNHXAAUMAV-DZGCQCFKSA-N 0 3 305.374 2.214 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCc2cscn2)C1 ZINC001278693889 1142840706 /nfs/dbraw/zinc/84/07/06/1142840706.db2.gz SGENXYWOHXEZCJ-KRWDZBQOSA-N 0 3 319.474 2.317 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CCCO[C@H](C(=O)OC)C1 ZINC001253241778 1142856692 /nfs/dbraw/zinc/85/66/92/1142856692.db2.gz DCUIZIOQABMSFA-HOTGVXAUSA-N 0 3 313.438 2.138 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2ccns2)CCOCC1 ZINC001278710997 1142862453 /nfs/dbraw/zinc/86/24/53/1142862453.db2.gz IHTYIHMQBZYSEI-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3sc(C)nc3C)C2)C1 ZINC001253528024 1142877888 /nfs/dbraw/zinc/87/78/88/1142877888.db2.gz DZDJRPLKMTYMBT-UHFFFAOYSA-N 0 3 305.447 2.023 20 30 DEEDHN C=C[C@@H](O)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001253586199 1142882659 /nfs/dbraw/zinc/88/26/59/1142882659.db2.gz JHMBMDAXXRHTQE-OAHLLOKOSA-N 0 3 308.809 2.035 20 30 DEEDHN C=C[C@@H](O)CNC[C@@]1(F)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253598940 1142883211 /nfs/dbraw/zinc/88/32/11/1142883211.db2.gz BRKRSWNKWMGQCT-CJNGLKHVSA-N 0 3 316.417 2.252 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001278747662 1143002249 /nfs/dbraw/zinc/00/22/49/1143002249.db2.gz RCDDJBRSMXVKDB-UONOGXRCSA-N 0 3 318.408 2.045 20 30 DEEDHN COc1cccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC001253956000 1143009870 /nfs/dbraw/zinc/00/98/70/1143009870.db2.gz MXJXDWKEDRRQDH-LSDHHAIUSA-N 0 3 304.390 2.061 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1noc(CC)n1 ZINC001339876954 1143155028 /nfs/dbraw/zinc/15/50/28/1143155028.db2.gz WVJNDFNPWMSXGV-CHWSQXEVSA-N 0 3 306.410 2.369 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC001340335729 1143326120 /nfs/dbraw/zinc/32/61/20/1143326120.db2.gz NRZKLUNBVJTUEI-INIZCTEOSA-N 0 3 312.417 2.387 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254962282 1143375481 /nfs/dbraw/zinc/37/54/81/1143375481.db2.gz CTXSROLTOQZUMS-BARDWOONSA-N 0 3 306.406 2.121 20 30 DEEDHN CC[C@@H](CC#N)NC[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255151969 1143446388 /nfs/dbraw/zinc/44/63/88/1143446388.db2.gz JWCPPJFROBFFTI-LXTVHRRPSA-N 0 3 323.437 2.150 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001341072224 1143533397 /nfs/dbraw/zinc/53/33/97/1143533397.db2.gz NWMZAZQLWDYCGH-HOTGVXAUSA-N 0 3 324.465 2.271 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC001341329652 1143584085 /nfs/dbraw/zinc/58/40/85/1143584085.db2.gz WQJSOEDQEFVNMN-IRXDYDNUSA-N 0 3 302.418 2.490 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc(Cl)cc2c1OCC2 ZINC001341386580 1143592096 /nfs/dbraw/zinc/59/20/96/1143592096.db2.gz SOWGXVVCXLKSSN-QMTHXVAHSA-N 0 3 321.808 2.473 20 30 DEEDHN CCOc1ccc(CCN(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC001341499495 1143614984 /nfs/dbraw/zinc/61/49/84/1143614984.db2.gz IUIJUEFIYPLJFD-QGZVFWFLSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC001341792307 1143706914 /nfs/dbraw/zinc/70/69/14/1143706914.db2.gz TYGGZQXIAAJFSQ-JKSUJKDBSA-N 0 3 302.418 2.300 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001341810847 1143716904 /nfs/dbraw/zinc/71/69/04/1143716904.db2.gz NJRBTASTQYOPLW-ZDUSSCGKSA-N 0 3 303.362 2.476 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@H]1OC ZINC001342049563 1143776488 /nfs/dbraw/zinc/77/64/88/1143776488.db2.gz SNSZGQKWFYRGJS-OUCADQQQSA-N 0 3 316.357 2.158 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001342513879 1143821581 /nfs/dbraw/zinc/82/15/81/1143821581.db2.gz DVZFDJUFMZVKLI-PWSUYJOCSA-N 0 3 321.318 2.291 20 30 DEEDHN C=CCN1CC[C@@H](NC[C@H](NC(=O)CCCC)C(C)(C)C)C1=O ZINC001278938739 1143849811 /nfs/dbraw/zinc/84/98/11/1143849811.db2.gz CHALXTPYKZCFCE-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1C[C@@H]2CC(N3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@H](C1)C2 ZINC001257890284 1143958287 /nfs/dbraw/zinc/95/82/87/1143958287.db2.gz SXVHGPKCBQITOQ-WFFDWFOESA-N 0 3 318.461 2.445 20 30 DEEDHN CCOC(=O)C1(C#N)CCN(C2CCC3(COC3)CC2)CC1 ZINC001257914423 1143960681 /nfs/dbraw/zinc/96/06/81/1143960681.db2.gz QXPMCYIDPXTMGW-UHFFFAOYSA-N 0 3 306.406 2.114 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001261934147 1144282120 /nfs/dbraw/zinc/28/21/20/1144282120.db2.gz GZMUASRHGVJEJN-IAGOWNOFSA-N 0 3 317.433 2.070 20 30 DEEDHN C=C[C@H](COC)NCc1ccnc2c(C(=O)OC)cccc12 ZINC001262011030 1144286071 /nfs/dbraw/zinc/28/60/71/1144286071.db2.gz WBWFSNIVUOMWEL-CYBMUJFWSA-N 0 3 300.358 2.312 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC001263097437 1144355623 /nfs/dbraw/zinc/35/56/23/1144355623.db2.gz WSHKQFTWZYHZEA-PBHICJAKSA-N 0 3 319.424 2.452 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C)C2)n1CC(=C)C ZINC001263344158 1144371184 /nfs/dbraw/zinc/37/11/84/1144371184.db2.gz WUDXJJCKVLZHTM-CABCVRRESA-N 0 3 301.438 2.121 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001263839401 1144407657 /nfs/dbraw/zinc/40/76/57/1144407657.db2.gz ZGKPQMSZQVOFNI-OKILXGFUSA-N 0 3 304.438 2.007 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@@H](N(CC=C(C)C)CCO)C1 ZINC001264074360 1144455228 /nfs/dbraw/zinc/45/52/28/1144455228.db2.gz ANUBQFSNBSRSOH-GOSISDBHSA-N 0 3 320.477 2.432 20 30 DEEDHN CCCCCNCc1nc2c(s1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001264188568 1144502814 /nfs/dbraw/zinc/50/28/14/1144502814.db2.gz NGOPAXSUZFJTSZ-GFCCVEGCSA-N 0 3 320.462 2.467 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2c(C)cccc2C)C1 ZINC001264634244 1144583613 /nfs/dbraw/zinc/58/36/13/1144583613.db2.gz LMBWHFAJJXGVRK-KRWDZBQOSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCCCN(C(=O)CCCC)C1 ZINC001264671645 1144589530 /nfs/dbraw/zinc/58/95/30/1144589530.db2.gz XDEGDZCRRAUIET-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CCc2cnn(C)c2)[C@@H]1C ZINC001264721549 1144600924 /nfs/dbraw/zinc/60/09/24/1144600924.db2.gz PMTCKVIYMFJYSN-ZBFHGGJFSA-N 0 3 318.465 2.144 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CO[C@H]1CCCC[C@@H]1CC ZINC001264984778 1144619898 /nfs/dbraw/zinc/61/98/98/1144619898.db2.gz AKBGPOFMUNDNQA-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1coc(Br)c1 ZINC001264993591 1144621542 /nfs/dbraw/zinc/62/15/42/1144621542.db2.gz RNCICDLJCLDFBF-UHFFFAOYSA-N 0 3 313.195 2.117 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C1(c2ccccc2F)CC1 ZINC001265055004 1144633795 /nfs/dbraw/zinc/63/37/95/1144633795.db2.gz WSQHJMICESCHKB-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN CCN(CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H](C)C#N ZINC001265106999 1144644957 /nfs/dbraw/zinc/64/49/57/1144644957.db2.gz WDWYTTLAUAMCHZ-HNNXBMFYSA-N 0 3 315.392 2.165 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCc2nc(C)cs2)CC1 ZINC001265194610 1144663977 /nfs/dbraw/zinc/66/39/77/1144663977.db2.gz IYUKTYZGVVVGMS-UHFFFAOYSA-N 0 3 307.463 2.493 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCc2ccc(F)cc2)C1 ZINC001265303670 1144688498 /nfs/dbraw/zinc/68/84/98/1144688498.db2.gz MVMHATXVFOHDHD-KRWDZBQOSA-N 0 3 302.393 2.362 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2ccc(F)c(F)c2)C1 ZINC001265321660 1144693763 /nfs/dbraw/zinc/69/37/63/1144693763.db2.gz OGDRGOPHPXSREO-GFCCVEGCSA-N 0 3 310.344 2.110 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001265456268 1144704968 /nfs/dbraw/zinc/70/49/68/1144704968.db2.gz MVJMNMADYBKQAK-WCWCZOKXSA-N 0 3 300.446 2.417 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C=C2CCC2)C1 ZINC001265522648 1144708954 /nfs/dbraw/zinc/70/89/54/1144708954.db2.gz AFMNZJFCJCWVJV-MSOLQXFVSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)COc2ccccc2C)C1 ZINC001265708914 1144732711 /nfs/dbraw/zinc/73/27/11/1144732711.db2.gz VXTWATGKLLZQJQ-IRXDYDNUSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)NCc1cc2ccccc2o1 ZINC001265774590 1144739881 /nfs/dbraw/zinc/73/98/81/1144739881.db2.gz HBXLLFYTYBJORB-CQSZACIVSA-N 0 3 314.385 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1cn(C)nc1C(F)F ZINC001265808572 1144742871 /nfs/dbraw/zinc/74/28/71/1144742871.db2.gz GWDHCCFUDBZKAL-SNVBAGLBSA-N 0 3 314.380 2.164 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001265865337 1144749231 /nfs/dbraw/zinc/74/92/31/1144749231.db2.gz YJFRQBFFKOSVCE-KRWDZBQOSA-N 0 3 313.445 2.072 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2nc3ccccc3cc2C)C1 ZINC001265922026 1144759451 /nfs/dbraw/zinc/75/94/51/1144759451.db2.gz ZNIYRBLGMGPYLK-INIZCTEOSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001265949170 1144766755 /nfs/dbraw/zinc/76/67/55/1144766755.db2.gz BOAHBDDVRXADRI-AWEZNQCLSA-N 0 3 323.824 2.018 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2oc(CC)nc2C)C1 ZINC001265963914 1144770546 /nfs/dbraw/zinc/77/05/46/1144770546.db2.gz NVPGMVRBAIHZSI-CQSZACIVSA-N 0 3 305.422 2.450 20 30 DEEDHN COCC(=O)N1CCCC[C@@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001265988753 1144778311 /nfs/dbraw/zinc/77/83/11/1144778311.db2.gz TVVRHKMBCITAJB-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)NCCF)cn1 ZINC001266010589 1144784856 /nfs/dbraw/zinc/78/48/56/1144784856.db2.gz KXYZTAAMUZXNFZ-CZUORRHYSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCN(CCCNC(=O)c1c2c[nH]nc2ccc1C)C1CC1 ZINC001266145381 1144809679 /nfs/dbraw/zinc/80/96/79/1144809679.db2.gz RVVMRKHYQXVQFQ-UHFFFAOYSA-N 0 3 310.401 2.089 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)CCc2ccoc2)CC1 ZINC001279129317 1144818785 /nfs/dbraw/zinc/81/87/85/1144818785.db2.gz LKOLUQIONDIDSX-HNNXBMFYSA-N 0 3 302.418 2.452 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC001279989325 1144830491 /nfs/dbraw/zinc/83/04/91/1144830491.db2.gz AXLFXPGJJKKKGW-GFCCVEGCSA-N 0 3 311.788 2.415 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001280305785 1144835354 /nfs/dbraw/zinc/83/53/54/1144835354.db2.gz MBTHUBCXLITBPJ-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN COCC#CCNC1(CNC(=O)CC2CCCCC2)CCC1 ZINC001280465648 1144841213 /nfs/dbraw/zinc/84/12/13/1144841213.db2.gz MJBSNCTVCKBJIV-UHFFFAOYSA-N 0 3 306.450 2.235 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(Cl)c(C)c2)CCO1 ZINC001280631912 1144847550 /nfs/dbraw/zinc/84/75/50/1144847550.db2.gz ZXQYHFYAOLCPSI-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCCN(C)Cc1csc(C)c1 ZINC001280813578 1144857867 /nfs/dbraw/zinc/85/78/67/1144857867.db2.gz DQVQINUJODHQNN-OAHLLOKOSA-N 0 3 322.474 2.375 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001281184715 1144876545 /nfs/dbraw/zinc/87/65/45/1144876545.db2.gz NTPTZKUNVLMVKB-MJGOQNOKSA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001281939872 1144921296 /nfs/dbraw/zinc/92/12/96/1144921296.db2.gz MLRGABHPZJXMAQ-SJORKVTESA-N 0 3 314.429 2.489 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@@H](C)[C@H](C)NC(=O)C#CC1CC1 ZINC001282128171 1144993139 /nfs/dbraw/zinc/99/31/39/1144993139.db2.gz HPIGPYZJAOHXIX-KBPBESRZSA-N 0 3 316.449 2.169 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(CCCOc2ccccc2)C1 ZINC001282700100 1145130818 /nfs/dbraw/zinc/13/08/18/1145130818.db2.gz GDBFTGMGRLOGQA-CABCVRRESA-N 0 3 315.417 2.052 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001282718053 1145142312 /nfs/dbraw/zinc/14/23/12/1145142312.db2.gz WNYPFMMKWCWUNC-RDJZCZTQSA-N 0 3 318.465 2.483 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCCF)CC1(C)C ZINC001282790997 1145165658 /nfs/dbraw/zinc/16/56/58/1145165658.db2.gz LBVNJDJEYVHWAK-ZIAGYGMSSA-N 0 3 300.418 2.154 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccncc2)C(C)(C)C1 ZINC001282813592 1145169944 /nfs/dbraw/zinc/16/99/44/1145169944.db2.gz YHBSWAMCSVBTNR-INIZCTEOSA-N 0 3 301.434 2.417 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001282872315 1145184418 /nfs/dbraw/zinc/18/44/18/1145184418.db2.gz TVFYFXWHESNIEP-LDLYASANSA-N 0 3 310.441 2.245 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC001283079418 1145259411 /nfs/dbraw/zinc/25/94/11/1145259411.db2.gz CDRRYZAFDVNVIN-FRFSOERESA-N 0 3 304.438 2.007 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC001283079421 1145259659 /nfs/dbraw/zinc/25/96/59/1145259659.db2.gz CDRRYZAFDVNVIN-QRTARXTBSA-N 0 3 304.438 2.007 20 30 DEEDHN C[C@H](CCCNCc1cc(C2CC2)no1)NC(=O)[C@@H](C)C#N ZINC001283146991 1145289637 /nfs/dbraw/zinc/28/96/37/1145289637.db2.gz UMYRIKOQXLSNMS-NWDGAFQWSA-N 0 3 304.394 2.086 20 30 DEEDHN Cn1ccc(C2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)n1 ZINC001364498735 1145300667 /nfs/dbraw/zinc/30/06/67/1145300667.db2.gz JUHWVAATTXQALG-SFHVURJKSA-N 0 3 310.401 2.205 20 30 DEEDHN Cc1cc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)on1 ZINC001283572645 1145527541 /nfs/dbraw/zinc/52/75/41/1145527541.db2.gz NHVLQVNCOZMJAQ-OAHLLOKOSA-N 0 3 311.385 2.085 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cnn2cccc(Cl)c12 ZINC001283640428 1145557089 /nfs/dbraw/zinc/55/70/89/1145557089.db2.gz UDBHYOKYOVGALX-GFCCVEGCSA-N 0 3 318.808 2.061 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001283642510 1145557668 /nfs/dbraw/zinc/55/76/68/1145557668.db2.gz QOPNPGAXDOWGMR-CRAIPNDOSA-N 0 3 314.429 2.148 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCC(O)(c2ccnn2C)CC1 ZINC001364788131 1145566780 /nfs/dbraw/zinc/56/67/80/1145566780.db2.gz HMYWXAJYFHOHNY-UHFFFAOYSA-N 0 3 324.428 2.392 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(Br)co1 ZINC001283677832 1145577512 /nfs/dbraw/zinc/57/75/12/1145577512.db2.gz MAYKWINIJIEJRU-JTQLQIEISA-N 0 3 313.195 2.116 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1CC12CC2)NCC#Cc1ccc(F)cc1 ZINC001283682198 1145580510 /nfs/dbraw/zinc/58/05/10/1145580510.db2.gz YVQMFBGIIDSVLY-PBHICJAKSA-N 0 3 314.404 2.414 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)NCc1c(C)cccc1C ZINC001283791619 1145648032 /nfs/dbraw/zinc/64/80/32/1145648032.db2.gz GTDOPYKMNXVQIG-HNNXBMFYSA-N 0 3 304.434 2.082 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccoc1 ZINC001283861360 1145674248 /nfs/dbraw/zinc/67/42/48/1145674248.db2.gz PDWRUNAMTABFKJ-VQIMIIECSA-N 0 3 322.408 2.453 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001283966304 1145728865 /nfs/dbraw/zinc/72/88/65/1145728865.db2.gz SKMHUHXKAYNTKU-UKRRQHHQSA-N 0 3 306.381 2.107 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001284294483 1145831879 /nfs/dbraw/zinc/83/18/79/1145831879.db2.gz BIZWAPVYVRQJDU-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC001284502346 1145863944 /nfs/dbraw/zinc/86/39/44/1145863944.db2.gz NSENESJLFZSVCS-FUTAKVPZSA-N 0 3 320.408 2.166 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001284519507 1145866419 /nfs/dbraw/zinc/86/64/19/1145866419.db2.gz JYUMRYGHIJANCF-SJORKVTESA-N 0 3 322.424 2.256 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccoc1Cl)CCOC ZINC001284655898 1145885021 /nfs/dbraw/zinc/88/50/21/1145885021.db2.gz MNQSYUNYDQKQQP-UHFFFAOYSA-N 0 3 300.786 2.187 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001284731689 1145897490 /nfs/dbraw/zinc/89/74/90/1145897490.db2.gz OJHCDWUUWWMRIU-JKSUJKDBSA-N 0 3 308.466 2.288 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001284866245 1145947575 /nfs/dbraw/zinc/94/75/75/1145947575.db2.gz NKNLTKPLVFDZME-OWCLPIDISA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CC)CNC(=O)CN(C)C(C)C)CC1 ZINC001285062224 1146019233 /nfs/dbraw/zinc/01/92/33/1146019233.db2.gz AMHAFOMSMAHVPF-INIZCTEOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001365847708 1146027068 /nfs/dbraw/zinc/02/70/68/1146027068.db2.gz GOOYSTPODHIJRZ-MGPQQGTHSA-N 0 3 310.829 2.071 20 30 DEEDHN Cc1ncoc1CN1CC[C@H](NC(=O)[C@H](C)C#N)CC(C)(C)C1 ZINC001365903187 1146055453 /nfs/dbraw/zinc/05/54/53/1146055453.db2.gz JGJMZNYIFSFKHQ-OCCSQVGLSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001285378887 1146125384 /nfs/dbraw/zinc/12/53/84/1146125384.db2.gz XKLURCADKQIZPZ-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001286237647 1146535561 /nfs/dbraw/zinc/53/55/61/1146535561.db2.gz WPBRAJDSOCYZJV-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001365945479 1146936862 /nfs/dbraw/zinc/93/68/62/1146936862.db2.gz PHZYJDIENUWYEX-DZGCQCFKSA-N 0 3 305.447 2.421 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2cn(CC)nn2)C1 ZINC001491881784 1146950608 /nfs/dbraw/zinc/95/06/08/1146950608.db2.gz JLPHBJVDMKAIPJ-KBPBESRZSA-N 0 3 319.453 2.027 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001366109258 1147059276 /nfs/dbraw/zinc/05/92/76/1147059276.db2.gz LPNRZNPHBDUNSW-FPQZTECRSA-N 0 3 307.344 2.422 20 30 DEEDHN C=CCCC(=O)NCCC[C@@H]1CCCN1Cc1cncn1C ZINC001492141174 1147093852 /nfs/dbraw/zinc/09/38/52/1147093852.db2.gz KYWKPTXVMJNTNN-OAHLLOKOSA-N 0 3 304.438 2.247 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)Cc1c(C)cc(C)cc1C ZINC001492236188 1147175892 /nfs/dbraw/zinc/17/58/92/1147175892.db2.gz GZGPWLWOLSOMBA-LJQANCHMSA-N 0 3 318.461 2.487 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCCNC(=O)CN(C)C(C)C)CC1 ZINC001492390682 1147235417 /nfs/dbraw/zinc/23/54/17/1147235417.db2.gz WUVOZVFVCSIRAD-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001366470502 1147298227 /nfs/dbraw/zinc/29/82/27/1147298227.db2.gz FZDPIALPKVGMLV-CHWSQXEVSA-N 0 3 324.856 2.077 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1cncs1 ZINC001366487571 1147306778 /nfs/dbraw/zinc/30/67/78/1147306778.db2.gz PYFVHQHQUDTVCO-NSHDSACASA-N 0 3 301.843 2.313 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1cccc(OC(C)C)c1 ZINC001316866986 1147553191 /nfs/dbraw/zinc/55/31/91/1147553191.db2.gz FJYWCFKHHHEBFH-UHFFFAOYSA-N 0 3 316.445 2.478 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC001316750691 1147567907 /nfs/dbraw/zinc/56/79/07/1147567907.db2.gz UOCIRXKHGGCLCL-CQSZACIVSA-N 0 3 324.371 2.050 20 30 DEEDHN CC[C@@H](C)CCC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1 ZINC001316757776 1147568547 /nfs/dbraw/zinc/56/85/47/1147568547.db2.gz HQEFCVRFYVSJKO-KURKYZTESA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001316767660 1147576318 /nfs/dbraw/zinc/57/63/18/1147576318.db2.gz LEEXFTMYNBHFTE-CABCVRRESA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cn(C(C)(C)C)nn1 ZINC001316802978 1147580702 /nfs/dbraw/zinc/58/07/02/1147580702.db2.gz UCUVIUFNFWMLMQ-AWEZNQCLSA-N 0 3 319.453 2.146 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1 ZINC001316753130 1147594495 /nfs/dbraw/zinc/59/44/95/1147594495.db2.gz ANHDIEJKLLSPPM-SJORKVTESA-N 0 3 318.461 2.019 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001366904480 1147614644 /nfs/dbraw/zinc/61/46/44/1147614644.db2.gz KZIGCOIXUCAZCH-AWEZNQCLSA-N 0 3 315.889 2.297 20 30 DEEDHN C=CCCC(=O)NCCCN(CC)[C@H]1CCN(C(C)(C)C)C1=O ZINC001316888849 1147624080 /nfs/dbraw/zinc/62/40/80/1147624080.db2.gz XTNCQUYJYBLPPX-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CN(CCCc2ccc(Cl)cc2)C1 ZINC001366962061 1147625748 /nfs/dbraw/zinc/62/57/48/1147625748.db2.gz KUXXWHIGRLRSGN-ZDUSSCGKSA-N 0 3 319.836 2.480 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc(COC)cc1)C1CC1 ZINC001316926248 1147632853 /nfs/dbraw/zinc/63/28/53/1147632853.db2.gz GUEOCRKTPIFQKK-UHFFFAOYSA-N 0 3 314.429 2.441 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC[C@@H]2CCCCO2)C1 ZINC001316950650 1147638228 /nfs/dbraw/zinc/63/82/28/1147638228.db2.gz RYLNBNGHQIKQCS-SJORKVTESA-N 0 3 324.465 2.119 20 30 DEEDHN CCCC1(C(=O)N[C@H]2CC23CCN(CC#CCOC)CC3)CC1 ZINC001317002848 1147646998 /nfs/dbraw/zinc/64/69/98/1147646998.db2.gz WJZBCMGFGPZRSF-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001317006982 1147647589 /nfs/dbraw/zinc/64/75/89/1147647589.db2.gz VDMNRGQYJQIUDB-UHFFFAOYSA-N 0 3 320.437 2.018 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1ccnn1C)C1CC1 ZINC001317022401 1147649172 /nfs/dbraw/zinc/64/91/72/1147649172.db2.gz GPVXGCROGYMQPR-RDJZCZTQSA-N 0 3 304.438 2.007 20 30 DEEDHN CC[C@H](CNC(=O)c1conc1C)NCc1ccc(C#N)s1 ZINC001367121299 1147652823 /nfs/dbraw/zinc/65/28/23/1147652823.db2.gz IBDIXBVFPPXLTN-LLVKDONJSA-N 0 3 318.402 2.214 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001317064623 1147655253 /nfs/dbraw/zinc/65/52/53/1147655253.db2.gz JSASBOZCTPBCKF-INIZCTEOSA-N 0 3 323.481 2.179 20 30 DEEDHN CCCCC[C@@H](CC)C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001317067785 1147655641 /nfs/dbraw/zinc/65/56/41/1147655641.db2.gz BXZPGMKMGJFYBG-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2cccc(C)c2)C1 ZINC001317106986 1147660360 /nfs/dbraw/zinc/66/03/60/1147660360.db2.gz BOKKEKGEOXPSDK-IYBDPMFKSA-N 0 3 315.417 2.137 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001317137814 1147664850 /nfs/dbraw/zinc/66/48/50/1147664850.db2.gz NTLFJTVLVYDUME-KRWDZBQOSA-N 0 3 310.441 2.488 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)C(F)(F)F)C1 ZINC001317142463 1147665824 /nfs/dbraw/zinc/66/58/24/1147665824.db2.gz DFCNVOCBPMIYRH-LBPRGKRZSA-N 0 3 304.356 2.426 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001317142771 1147666014 /nfs/dbraw/zinc/66/60/14/1147666014.db2.gz GNTOCZJRBVEXJP-INIZCTEOSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001493271489 1147673496 /nfs/dbraw/zinc/67/34/96/1147673496.db2.gz QYRHXLAXVFFZLZ-OAHLLOKOSA-N 0 3 320.408 2.357 20 30 DEEDHN Cc1nc(C(=O)N(C)[C@H](C)CNCc2ccc(C#N)s2)co1 ZINC001367350346 1147682659 /nfs/dbraw/zinc/68/26/59/1147682659.db2.gz RPGFNIOLSPIUGO-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCC(=O)N(C)C1CCCCC1 ZINC001317254360 1147683187 /nfs/dbraw/zinc/68/31/87/1147683187.db2.gz GRHQUBRGECREQW-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@@H](F)CC)C(C)C ZINC001367493865 1147701763 /nfs/dbraw/zinc/70/17/63/1147701763.db2.gz YWYBDZFXBPCGNI-QWRGUYRKSA-N 0 3 309.223 2.374 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cnn(C)c1 ZINC001317422397 1147704428 /nfs/dbraw/zinc/70/44/28/1147704428.db2.gz YGIDTJXZLQTWMY-AWEZNQCLSA-N 0 3 310.829 2.147 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1Cc1cncc(F)c1 ZINC001317424660 1147705280 /nfs/dbraw/zinc/70/52/80/1147705280.db2.gz FQUQMUHEFQMEGP-CJNGLKHVSA-N 0 3 318.396 2.241 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001317445421 1147709888 /nfs/dbraw/zinc/70/98/88/1147709888.db2.gz VGVKGGYORYHIIP-IBGZPJMESA-N 0 3 316.445 2.439 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)n1nc(C)cc1C ZINC001317518117 1147718864 /nfs/dbraw/zinc/71/88/64/1147718864.db2.gz VIEFDQSDODZUDO-HZPDHXFCSA-N 0 3 304.438 2.218 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H]2CCN(CC#CC)C2)CCCCC1 ZINC001317535533 1147721846 /nfs/dbraw/zinc/72/18/46/1147721846.db2.gz JDTMGYYAYWKURG-KRWDZBQOSA-N 0 3 300.446 2.422 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC001317536180 1147721887 /nfs/dbraw/zinc/72/18/87/1147721887.db2.gz KBJDDJUJWJKOHW-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001317543522 1147722839 /nfs/dbraw/zinc/72/28/39/1147722839.db2.gz WPIXRXBBEVPTCK-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001317580901 1147728718 /nfs/dbraw/zinc/72/87/18/1147728718.db2.gz YHNWQMIWIWDADD-FICVDOATSA-N 0 3 303.431 2.214 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001367727287 1147733603 /nfs/dbraw/zinc/73/36/03/1147733603.db2.gz HLMQALQNZOZZEU-QWRGUYRKSA-N 0 3 311.476 2.356 20 30 DEEDHN Cc1ccc(CC(=O)N[C@@H](C)CNCc2ccc(C#N)s2)o1 ZINC001367726191 1147733717 /nfs/dbraw/zinc/73/37/17/1147733717.db2.gz BCGBFWLNCLYWPL-NSHDSACASA-N 0 3 317.414 2.358 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001367728567 1147733933 /nfs/dbraw/zinc/73/39/33/1147733933.db2.gz IUBJNPXPDZUMCE-ZYIUAKIQSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1snnc1CC)c1ccccc1 ZINC001317721279 1147746941 /nfs/dbraw/zinc/74/69/41/1147746941.db2.gz SUVSXQVQHCLIAY-AWEZNQCLSA-N 0 3 316.430 2.347 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C[C@H](C)n1ccnc1)c1ccccc1 ZINC001317723389 1147747282 /nfs/dbraw/zinc/74/72/82/1147747282.db2.gz GLJZMGQSYJSXTL-FUHWJXTLSA-N 0 3 324.428 2.305 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(C)Cc2ccnn2C)CC1 ZINC001317869059 1147759354 /nfs/dbraw/zinc/75/93/54/1147759354.db2.gz QRMYRPSBXTWIGW-UHFFFAOYSA-N 0 3 304.438 2.057 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001318127880 1147778752 /nfs/dbraw/zinc/77/87/52/1147778752.db2.gz ZARGCCMGRPZCJV-OAHLLOKOSA-N 0 3 308.466 2.452 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001318403627 1147822241 /nfs/dbraw/zinc/82/22/41/1147822241.db2.gz UPWLTJYMYUWVKX-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001324655943 1147826487 /nfs/dbraw/zinc/82/64/87/1147826487.db2.gz JXIOVWOBCKVHQJ-SJLPKXTDSA-N 0 3 320.408 2.480 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001368040108 1147839103 /nfs/dbraw/zinc/83/91/03/1147839103.db2.gz CSXHMIUNXVPQNB-HNNXBMFYSA-N 0 3 321.852 2.280 20 30 DEEDHN C=CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001325380877 1147897836 /nfs/dbraw/zinc/89/78/36/1147897836.db2.gz QCKNJDQNMVMIQF-GJZGRUSLSA-N 0 3 318.417 2.035 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](OC)C(C)C ZINC001325701701 1147985988 /nfs/dbraw/zinc/98/59/88/1147985988.db2.gz OSFJZDMANHNYEI-SFHVURJKSA-N 0 3 316.445 2.299 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1nccn1CC ZINC001326448986 1148102406 /nfs/dbraw/zinc/10/24/06/1148102406.db2.gz DEZDBTDLUQWOQB-UHFFFAOYSA-N 0 3 312.417 2.451 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCC(=O)N(C)CC ZINC001326736163 1148224601 /nfs/dbraw/zinc/22/46/01/1148224601.db2.gz GZOJOIOZVSMMLJ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1cncc(F)c1)C1CCCC1 ZINC001368131648 1148261299 /nfs/dbraw/zinc/26/12/99/1148261299.db2.gz BZLZEQUZNUQUGX-BLLLJJGKSA-N 0 3 318.396 2.145 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCC=CCCC2)CCC1 ZINC001326843730 1148268034 /nfs/dbraw/zinc/26/80/34/1148268034.db2.gz MDRHKEIEQKNPFH-KRWDZBQOSA-N 0 3 318.461 2.401 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001327080759 1148321465 /nfs/dbraw/zinc/32/14/65/1148321465.db2.gz DSMHNXULFSSETC-QGZVFWFLSA-N 0 3 319.493 2.217 20 30 DEEDHN C[C@H](N(C)CC#CCN1C(=O)c2ccccc2C1=O)C1(C)CC1 ZINC000625218533 365685263 /nfs/dbraw/zinc/68/52/63/365685263.db2.gz YBTYCBQFKBQPGO-AWEZNQCLSA-N 0 3 310.397 2.406 20 30 DEEDHN C=C(C)COc1cc(CNC[C@]2(O)CCO[C@@H]2C)ccc1OC ZINC000278771863 214390120 /nfs/dbraw/zinc/39/01/20/214390120.db2.gz YGQCQFGQMKSGPB-RDTXWAMCSA-N 0 3 321.417 2.280 20 30 DEEDHN Cc1c(Cl)cnc(N[C@H](C)CCN2CCN(C)CC2)c1C#N ZINC000613704905 362185340 /nfs/dbraw/zinc/18/53/40/362185340.db2.gz WFOCDPFYSVAAHU-GFCCVEGCSA-N 0 3 321.856 2.353 20 30 DEEDHN CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cc(C#N)ccc1F ZINC000614205707 362315228 /nfs/dbraw/zinc/31/52/28/362315228.db2.gz AAGSXNZHWSDIEJ-WMLDXEAASA-N 0 3 303.381 2.434 20 30 DEEDHN N#Cc1ccncc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272676888 210081838 /nfs/dbraw/zinc/08/18/38/210081838.db2.gz AEYKUXXZLWYPTH-KRWDZBQOSA-N 0 3 308.385 2.132 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](C)CO ZINC000154874329 539554988 /nfs/dbraw/zinc/55/49/88/539554988.db2.gz GYXNOJNUYRKVKJ-CQSZACIVSA-N 0 3 324.494 2.213 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1F ZINC000595468656 358457067 /nfs/dbraw/zinc/45/70/67/358457067.db2.gz BBSASWOOFJQNOW-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN COC(=O)[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000191863245 186266568 /nfs/dbraw/zinc/26/65/68/186266568.db2.gz KVAQHABZLCSBIV-CJNGLKHVSA-N 0 3 302.374 2.068 20 30 DEEDHN Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCN(C3CC3)C2)on1 ZINC000329277874 539916995 /nfs/dbraw/zinc/91/69/95/539916995.db2.gz CQJPDVFWEXFMSV-JSGCOSHPSA-N 0 3 304.394 2.271 20 30 DEEDHN Cc1cccc(C)c1OCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329307920 539917846 /nfs/dbraw/zinc/91/78/46/539917846.db2.gz PVYCQPIMAOVIBN-HNNXBMFYSA-N 0 3 317.433 2.423 20 30 DEEDHN N#Cc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174835319 198391367 /nfs/dbraw/zinc/39/13/67/198391367.db2.gz HHKRGSMKSMJQCX-UHFFFAOYSA-N 0 3 311.345 2.328 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccccc1C#N)N1CCCC[C@@H]1C ZINC000032732466 354153260 /nfs/dbraw/zinc/15/32/60/354153260.db2.gz OJPDGYMTEBBPDK-GJZGRUSLSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCc1ccc(OCC(=O)NCCN2CCCC2)c(OC)c1 ZINC000052851802 354414325 /nfs/dbraw/zinc/41/43/25/354414325.db2.gz RLMMVFKMRDWGAO-UHFFFAOYSA-N 0 3 318.417 2.015 20 30 DEEDHN C=CCOc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000061635280 354629668 /nfs/dbraw/zinc/62/96/68/354629668.db2.gz JTPOVDDTQQCBQA-UHFFFAOYSA-N 0 3 314.389 2.262 20 30 DEEDHN C[C@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 ZINC000061921795 354632695 /nfs/dbraw/zinc/63/26/95/354632695.db2.gz BXBURMOXVVMBEU-HUUCEWRRSA-N 0 3 314.433 2.478 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)CCC(=O)c1ccccc1 ZINC000064381191 354665509 /nfs/dbraw/zinc/66/55/09/354665509.db2.gz UWGYWWCTNKJYEA-UHFFFAOYSA-N 0 3 315.417 2.343 20 30 DEEDHN CCN(C)CCNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000066949027 354741799 /nfs/dbraw/zinc/74/17/99/354741799.db2.gz YYXFLBPMEWWUMI-INIZCTEOSA-N 0 3 303.406 2.030 20 30 DEEDHN CCC1(O)CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000072723870 354916742 /nfs/dbraw/zinc/91/67/42/354916742.db2.gz XLOASQGQVMLHBB-UHFFFAOYSA-N 0 3 301.390 2.124 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 ZINC000352269579 540062002 /nfs/dbraw/zinc/06/20/02/540062002.db2.gz SARNNDOXZZFWPT-QZTJIDSGSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C2CCOCC2)CC1 ZINC000074877503 355057797 /nfs/dbraw/zinc/05/77/97/355057797.db2.gz OITBOQDNWICBSZ-INIZCTEOSA-N 0 3 309.454 2.141 20 30 DEEDHN C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000074918461 355059018 /nfs/dbraw/zinc/05/90/18/355059018.db2.gz QCMDBTRLSHOAFC-CJNGLKHVSA-N 0 3 300.406 2.355 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000410589358 283093335 /nfs/dbraw/zinc/09/33/35/283093335.db2.gz LPGWPUCJVJHVLE-DAYGRLMNSA-N 0 3 301.434 2.403 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC1 ZINC000074820024 191366006 /nfs/dbraw/zinc/36/60/06/191366006.db2.gz HTHBNYBPIVKTLX-UHFFFAOYSA-N 0 3 314.433 2.432 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000179779037 356033222 /nfs/dbraw/zinc/03/32/22/356033222.db2.gz WBUUTQRZOHXAQY-CQSZACIVSA-N 0 3 305.422 2.497 20 30 DEEDHN C=CCC[C@H](NCC(=O)NC(=O)NC1CC1)c1ccccc1 ZINC000180041479 356041056 /nfs/dbraw/zinc/04/10/56/356041056.db2.gz IZGXAJFRKPITTG-HNNXBMFYSA-N 0 3 301.390 2.272 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000182814313 356147298 /nfs/dbraw/zinc/14/72/98/356147298.db2.gz GIIFBZSTABZAAI-MRXNPFEDSA-N 0 3 316.449 2.352 20 30 DEEDHN CC(C)[C@]1(CO)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000377651962 535311102 /nfs/dbraw/zinc/31/11/02/535311102.db2.gz ZETMOKZWNWZAPL-MRXNPFEDSA-N 0 3 321.446 2.289 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C#N)n1 ZINC000589458273 357471614 /nfs/dbraw/zinc/47/16/14/357471614.db2.gz ODGVEEZYEIXFFW-KDOFPFPSSA-N 0 3 320.396 2.204 20 30 DEEDHN CCC#C[C@@H](C)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 ZINC000590957537 357652406 /nfs/dbraw/zinc/65/24/06/357652406.db2.gz UTQWAMBJMIQSQH-CYBMUJFWSA-N 0 3 318.421 2.081 20 30 DEEDHN CCC[C@@H](CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591373994 357716171 /nfs/dbraw/zinc/71/61/71/357716171.db2.gz DLNFTRBRFQOLJN-IRXDYDNUSA-N 0 3 315.417 2.458 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000592729364 357932203 /nfs/dbraw/zinc/93/22/03/357932203.db2.gz MVRNMSHMMJTNLT-RHSMWYFYSA-N 0 3 323.396 2.411 20 30 DEEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C ZINC000592809597 357949548 /nfs/dbraw/zinc/94/95/48/357949548.db2.gz WKNOAXKDISXCPR-VNQPRFMTSA-N 0 3 314.385 2.026 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC([C@H](C)CO)CC1 ZINC000593085694 358005548 /nfs/dbraw/zinc/00/55/48/358005548.db2.gz VIFKLOMUGCNOIU-CQSZACIVSA-N 0 3 318.417 2.286 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1C1CC1 ZINC000593132410 358018438 /nfs/dbraw/zinc/01/84/38/358018438.db2.gz VPONTAILQZTFMT-LSDHHAIUSA-N 0 3 302.349 2.328 20 30 DEEDHN CC[C@@H](C#N)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000593614348 358111201 /nfs/dbraw/zinc/11/12/01/358111201.db2.gz RFLJAYUVPLVPTM-AWEZNQCLSA-N 0 3 300.406 2.317 20 30 DEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000593648454 358117801 /nfs/dbraw/zinc/11/78/01/358117801.db2.gz YTUAKBJUEFRHIV-OAHLLOKOSA-N 0 3 303.406 2.135 20 30 DEEDHN CC[C@@H](C#N)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000593689143 358123198 /nfs/dbraw/zinc/12/31/98/358123198.db2.gz VVUDDKWVIGWWFJ-HNNXBMFYSA-N 0 3 315.417 2.326 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@H]1c1ccccc1 ZINC000594014684 358188981 /nfs/dbraw/zinc/18/89/81/358188981.db2.gz ILVVJPWVYWPJRM-ZWKOTPCHSA-N 0 3 321.380 2.342 20 30 DEEDHN C[C@H](Cc1ccccn1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000594140194 358212762 /nfs/dbraw/zinc/21/27/62/358212762.db2.gz JGUZMYJUBMKXDC-PBHICJAKSA-N 0 3 318.380 2.383 20 30 DEEDHN C=CCCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000180484840 199165445 /nfs/dbraw/zinc/16/54/45/199165445.db2.gz QLCVARBAEQSSHP-KRWDZBQOSA-N 0 3 302.418 2.226 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000594337782 358245329 /nfs/dbraw/zinc/24/53/29/358245329.db2.gz LSCPDCXXRMBANW-JLSDUUJJSA-N 0 3 311.429 2.289 20 30 DEEDHN COc1ccccc1C(C)(C)NC(=O)[C@@H](N)CCCCC#N ZINC000594436527 358270462 /nfs/dbraw/zinc/27/04/62/358270462.db2.gz JZXPRXNJWIVWRC-AWEZNQCLSA-N 0 3 303.406 2.458 20 30 DEEDHN CC(C)c1nnc2ccc(NC(=O)[C@@H](N)CCCCC#N)cn21 ZINC000594443335 358273310 /nfs/dbraw/zinc/27/33/10/358273310.db2.gz OHLWEFLVDVKIDZ-ZDUSSCGKSA-N 0 3 314.393 2.202 20 30 DEEDHN N#Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)cc(N)c1[N+](=O)[O-] ZINC000594604411 358303632 /nfs/dbraw/zinc/30/36/32/358303632.db2.gz ZATPFKYIPQTMBM-CABCVRRESA-N 0 3 315.377 2.477 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000594654680 358312282 /nfs/dbraw/zinc/31/22/82/358312282.db2.gz VTTGVSNKMZVLQJ-MRXNPFEDSA-N 0 3 300.402 2.466 20 30 DEEDHN Cc1ncncc1[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594493912 358283474 /nfs/dbraw/zinc/28/34/74/358283474.db2.gz ASPWRWYFEQZRIC-AWEZNQCLSA-N 0 3 322.416 2.371 20 30 DEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000595661310 358515178 /nfs/dbraw/zinc/51/51/78/358515178.db2.gz YGXNDMQDAGMEFV-QWRGUYRKSA-N 0 3 321.343 2.051 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(C#N)c(F)c2)CCOCC1 ZINC000595878097 358569845 /nfs/dbraw/zinc/56/98/45/358569845.db2.gz QEEMFUNKYKSHLM-UHFFFAOYSA-N 0 3 320.364 2.289 20 30 DEEDHN CCOC(=O)CC1(NCc2cc(C#N)ccc2F)CCOCC1 ZINC000595888998 358573315 /nfs/dbraw/zinc/57/33/15/358573315.db2.gz XEGNEUMFLXAYQZ-UHFFFAOYSA-N 0 3 320.364 2.289 20 30 DEEDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)cc(C#N)c1[N+](=O)[O-] ZINC000596189822 358635146 /nfs/dbraw/zinc/63/51/46/358635146.db2.gz SMEGZQHFMAECRF-DOMZBBRYSA-N 0 3 300.362 2.305 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000595945243 358585130 /nfs/dbraw/zinc/58/51/30/358585130.db2.gz CAELSSAULGRPDF-CVEARBPZSA-N 0 3 301.390 2.078 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc2c(c1)CCCO2 ZINC000595990698 358590708 /nfs/dbraw/zinc/59/07/08/358590708.db2.gz CQPLFDOWNLHVGH-SWLSCSKDSA-N 0 3 301.390 2.210 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)CC2(C#N)CCCCC2)CCSC1 ZINC000597339123 358892413 /nfs/dbraw/zinc/89/24/13/358892413.db2.gz LQSXWXRANBKYRA-MRXNPFEDSA-N 0 3 309.479 2.404 20 30 DEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000597715522 358986145 /nfs/dbraw/zinc/98/61/45/358986145.db2.gz LCKAFSVUTQIKAZ-QGZVFWFLSA-N 0 3 319.355 2.394 20 30 DEEDHN Cc1n[nH]c(C)c1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000597732031 358993181 /nfs/dbraw/zinc/99/31/81/358993181.db2.gz HVAMTGMMDLLKPR-MRXNPFEDSA-N 0 3 310.401 2.458 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN1 ZINC000598569123 359244057 /nfs/dbraw/zinc/24/40/57/359244057.db2.gz AORNUECYFPNIDO-INIZCTEOSA-N 0 3 315.417 2.172 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1 ZINC000598573781 359245996 /nfs/dbraw/zinc/24/59/96/359245996.db2.gz OQYRWDFXBRPSQL-INIZCTEOSA-N 0 3 317.408 2.431 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCCN(c2ccccc2)CC1 ZINC000598585281 359249738 /nfs/dbraw/zinc/24/97/38/359249738.db2.gz BSWOLQVGLXNUSS-KRWDZBQOSA-N 0 3 301.434 2.499 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000598596672 359255215 /nfs/dbraw/zinc/25/52/15/359255215.db2.gz SGAYLRPZXPUFQJ-INIZCTEOSA-N 0 3 321.465 2.012 20 30 DEEDHN COC(=O)[C@H](C)[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598598022 359256176 /nfs/dbraw/zinc/25/61/76/359256176.db2.gz MFZYVRGLVBLPJN-VNQPRFMTSA-N 0 3 318.417 2.427 20 30 DEEDHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(C#N)c1 ZINC000599072248 359396624 /nfs/dbraw/zinc/39/66/24/359396624.db2.gz HMCDMFYSVCYBLU-DAXOMENPSA-N 0 3 321.446 2.069 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC(Cc2ccccc2)C1 ZINC000599339048 359468451 /nfs/dbraw/zinc/46/84/51/359468451.db2.gz ZUKQSSFHFFNBJL-LJQANCHMSA-N 0 3 322.408 2.472 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc3ccccn23)CC1 ZINC000667789783 540527184 /nfs/dbraw/zinc/52/71/84/540527184.db2.gz ZNOWYSWPGBMYBK-UHFFFAOYSA-N 0 3 313.405 2.496 20 30 DEEDHN COc1cc(NC(=O)N(C)CCN2CCCC2)c(F)cc1C#N ZINC000599818287 359605377 /nfs/dbraw/zinc/60/53/77/359605377.db2.gz WAAWOICNXZCEDH-UHFFFAOYSA-N 0 3 320.368 2.265 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@H](OCCOC)C2)cc1 ZINC000188821254 200307687 /nfs/dbraw/zinc/30/76/87/200307687.db2.gz PGHMJZKBCZHYFN-SFHVURJKSA-N 0 3 303.402 2.326 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668543517 540684878 /nfs/dbraw/zinc/68/48/78/540684878.db2.gz WGMXYPGJUUZQAM-ZBFHGGJFSA-N 0 3 300.402 2.352 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000602529116 360418967 /nfs/dbraw/zinc/41/89/67/360418967.db2.gz DTXZEMLHPMIAMH-MRXNPFEDSA-N 0 3 319.380 2.217 20 30 DEEDHN COc1cc(CNC2CCN(CC#N)CC2)c(Cl)cc1O ZINC000602538515 360422619 /nfs/dbraw/zinc/42/26/19/360422619.db2.gz MYNMWIDDRLUXJC-UHFFFAOYSA-N 0 3 309.797 2.132 20 30 DEEDHN N#CCCCCNCc1cnn2cc(Br)cnc12 ZINC000602538201 360422634 /nfs/dbraw/zinc/42/26/34/360422634.db2.gz AHOSMNUDFCCOQC-UHFFFAOYSA-N 0 3 308.183 2.275 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(CC)cn1)C(C)C ZINC000668682415 540708909 /nfs/dbraw/zinc/70/89/09/540708909.db2.gz GFZZBVBAHBWJOS-INIZCTEOSA-N 0 3 304.438 2.331 20 30 DEEDHN CCN(CCNCc1cccc(C#N)n1)CCC(F)(F)F ZINC000602635558 360469695 /nfs/dbraw/zinc/46/96/95/360469695.db2.gz TYUISQAGFQOYSO-UHFFFAOYSA-N 0 3 300.328 2.317 20 30 DEEDHN CCC[C@@H](C)C(=O)NCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602671626 360488553 /nfs/dbraw/zinc/48/85/53/360488553.db2.gz VXUXNQUCGFLENC-HUUCEWRRSA-N 0 3 309.454 2.227 20 30 DEEDHN N#Cc1ccc(CN2CCCN(CCc3cnccn3)CC2)cc1 ZINC000602759112 360538607 /nfs/dbraw/zinc/53/86/07/360538607.db2.gz PIGMOIFTQCJHDQ-UHFFFAOYSA-N 0 3 321.428 2.099 20 30 DEEDHN C[C@H]1OCC[C@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000602770996 360545683 /nfs/dbraw/zinc/54/56/83/360545683.db2.gz BUPOSYCRQDVKCQ-HIFRSBDPSA-N 0 3 303.381 2.244 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000442708858 238065856 /nfs/dbraw/zinc/06/58/56/238065856.db2.gz LWGJDECNGPLPER-HZPDHXFCSA-N 0 3 306.431 2.273 20 30 DEEDHN N#Cc1ccccc1OCCN1CCC[C@@H](n2ccnn2)CC1 ZINC000602890136 360612715 /nfs/dbraw/zinc/61/27/15/360612715.db2.gz WJJYQDPRVTZHIQ-MRXNPFEDSA-N 0 3 311.389 2.256 20 30 DEEDHN COC(=O)[C@@]1(C)CN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000602926645 360629757 /nfs/dbraw/zinc/62/97/57/360629757.db2.gz MLKAAQZMBMWVOK-GUYCJALGSA-N 0 3 302.374 2.068 20 30 DEEDHN COCc1cc(C#N)ccc1N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000603326325 360793647 /nfs/dbraw/zinc/79/36/47/360793647.db2.gz AKPBZYIRBSJKCY-HOTGVXAUSA-N 0 3 305.447 2.186 20 30 DEEDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(C#N)c(F)c1 ZINC000272006158 209377307 /nfs/dbraw/zinc/37/73/07/209377307.db2.gz LIKATPYWLUTUGK-WFASDCNBSA-N 0 3 320.364 2.270 20 30 DEEDHN N#Cc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000603847900 360865283 /nfs/dbraw/zinc/86/52/83/360865283.db2.gz BKICQZXOMGKTRI-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCCN1C)C(C)C ZINC000606371264 360999814 /nfs/dbraw/zinc/99/98/14/360999814.db2.gz FZSGXOJGHJRDME-DLBZAZTESA-N 0 3 307.482 2.286 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1CC#N ZINC000609200488 361289651 /nfs/dbraw/zinc/28/96/51/361289651.db2.gz HIEJEEAAEMBFEO-OAHLLOKOSA-N 0 3 310.401 2.379 20 30 DEEDHN C[C@@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000609399206 361309200 /nfs/dbraw/zinc/30/92/00/361309200.db2.gz NTHYJDAGHOPROY-DYVFJYSZSA-N 0 3 312.417 2.403 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000609833223 361342327 /nfs/dbraw/zinc/34/23/27/361342327.db2.gz CCDMRMDGSPGRMC-GOEBONIOSA-N 0 3 315.417 2.316 20 30 DEEDHN CC1CCN(C[C@@H](O)CNc2ncc(C#N)cc2Cl)CC1 ZINC000609631233 361330885 /nfs/dbraw/zinc/33/08/85/361330885.db2.gz RMWLKSZJOPILKC-ZDUSSCGKSA-N 0 3 308.813 2.111 20 30 DEEDHN CCCN(C)CC(=O)N[C@H](C#N)c1ccccc1Br ZINC000610158156 361364261 /nfs/dbraw/zinc/36/42/61/361364261.db2.gz UBTDLKLSIUAUMM-CYBMUJFWSA-N 0 3 324.222 2.472 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CCN1C ZINC000610209737 361367808 /nfs/dbraw/zinc/36/78/08/361367808.db2.gz YZMMPTDPYYFLLU-DZGCQCFKSA-N 0 3 310.401 2.377 20 30 DEEDHN N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000610584860 361427600 /nfs/dbraw/zinc/42/76/00/361427600.db2.gz SJQPBTBELMDMTF-CQSZACIVSA-N 0 3 302.353 2.303 20 30 DEEDHN Cc1nn(C)cc1[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809736 361470204 /nfs/dbraw/zinc/47/02/04/361470204.db2.gz SBOJTTSDGIIUAI-CYBMUJFWSA-N 0 3 324.432 2.315 20 30 DEEDHN C[C@@H](C#N)CN(C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000611091095 361526026 /nfs/dbraw/zinc/52/60/26/361526026.db2.gz DUCKJNKCCRPYAR-MAUKXSAKSA-N 0 3 301.434 2.103 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000611204953 361547597 /nfs/dbraw/zinc/54/75/97/361547597.db2.gz CIMAYOVFUDFJOM-CABCVRRESA-N 0 3 307.438 2.076 20 30 DEEDHN CS(=O)(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000447535825 239002315 /nfs/dbraw/zinc/00/23/15/239002315.db2.gz IRCHTWMZXVMOEU-OCCSQVGLSA-N 0 3 307.419 2.230 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194608402 201261753 /nfs/dbraw/zinc/26/17/53/201261753.db2.gz RHNAKQCVZRHOMJ-UHFFFAOYSA-N 0 3 303.362 2.283 20 30 DEEDHN C=C[C@](C)(O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000612045301 361730004 /nfs/dbraw/zinc/73/00/04/361730004.db2.gz RQSMSWIEYCKDIR-KYJSFNMBSA-N 0 3 302.418 2.093 20 30 DEEDHN C=C[C@](C)(O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000612045303 361730299 /nfs/dbraw/zinc/73/02/99/361730299.db2.gz RQSMSWIEYCKDIR-ZVZYQTTQSA-N 0 3 302.418 2.093 20 30 DEEDHN C=C[C@@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)C(=O)OC ZINC000619703563 363861051 /nfs/dbraw/zinc/86/10/51/363861051.db2.gz NBHXBDVNZVQKFZ-SJORKVTESA-N 0 3 302.418 2.214 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)[C@]12CCCO2 ZINC000281633831 216436981 /nfs/dbraw/zinc/43/69/81/216436981.db2.gz IKVCTOOWLBHKQF-KZNAEPCWSA-N 0 3 316.401 2.383 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(CCOC)C1)c1ccccc1 ZINC000275414985 212319289 /nfs/dbraw/zinc/31/92/89/212319289.db2.gz ZEKRTBSFABDVSB-SJORKVTESA-N 0 3 302.418 2.183 20 30 DEEDHN C#CCOc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091856255 193117656 /nfs/dbraw/zinc/11/76/56/193117656.db2.gz VKPWLVUAYHZRDN-DLBZAZTESA-N 0 3 303.427 2.405 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000677047910 541538094 /nfs/dbraw/zinc/53/80/94/541538094.db2.gz KEBPPHAHSHKMFB-LSDHHAIUSA-N 0 3 304.438 2.121 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000451594689 243171105 /nfs/dbraw/zinc/17/11/05/243171105.db2.gz BODZZRBBEKEZHO-LXZKKBNFSA-N 0 3 300.402 2.287 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000451600175 243180108 /nfs/dbraw/zinc/18/01/08/243180108.db2.gz QJBUKOLJFSWOII-CLWVCHIJSA-N 0 3 318.417 2.194 20 30 DEEDHN C=C(C)[C@H](CO)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000678048991 541668745 /nfs/dbraw/zinc/66/87/45/541668745.db2.gz AIGAOAJCEOFMNV-SFHVURJKSA-N 0 3 320.433 2.153 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000275111443 212127632 /nfs/dbraw/zinc/12/76/32/212127632.db2.gz NDAFFNYENRZKHC-CYBMUJFWSA-N 0 3 311.307 2.059 20 30 DEEDHN C#CCOc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000093088108 193201753 /nfs/dbraw/zinc/20/17/53/193201753.db2.gz GSEOWMQAEYJPST-UHFFFAOYSA-N 0 3 312.413 2.285 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](N2CCCCC2)C1 ZINC000264642329 204049713 /nfs/dbraw/zinc/04/97/13/204049713.db2.gz VUGRSTLNURXJDJ-DLBZAZTESA-N 0 3 305.466 2.136 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C/c1ccnn1C)C(C)C ZINC000264844151 204203429 /nfs/dbraw/zinc/20/34/29/204203429.db2.gz BCNAWWBLWXMMES-IJDCCNJMSA-N 0 3 316.449 2.248 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(CC2CCOCC2)CC1 ZINC000264897725 204248609 /nfs/dbraw/zinc/24/86/09/204248609.db2.gz IGRRRSWIKDPZGQ-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCC(=O)NCC)C(C)C ZINC000264907595 204260220 /nfs/dbraw/zinc/26/02/20/204260220.db2.gz MWRGCVGRDPETCV-INIZCTEOSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCOCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000679487028 541862793 /nfs/dbraw/zinc/86/27/93/541862793.db2.gz COPDJHNXXZGXHM-OAHLLOKOSA-N 0 3 305.422 2.009 20 30 DEEDHN C=CCN(CC=C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000266166402 205152104 /nfs/dbraw/zinc/15/21/04/205152104.db2.gz DQTMOMKVYIJYBD-UHFFFAOYSA-N 0 3 313.445 2.399 20 30 DEEDHN C[C@@H](NCC=C(Cl)Cl)[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001422320132 1172488787 /nfs/dbraw/zinc/48/87/87/1172488787.db2.gz IGLADMLNBPNMRD-RKDXNWHRSA-N 0 3 315.204 2.302 20 30 DEEDHN Cc1nnc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c(C#N)c1C ZINC000267903012 206329185 /nfs/dbraw/zinc/32/91/85/206329185.db2.gz CCQCIPFTKYKSTP-CHWSQXEVSA-N 0 3 317.437 2.266 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2noc3c2CCCC3)CC1 ZINC000106035800 194181414 /nfs/dbraw/zinc/18/14/14/194181414.db2.gz LNRJXCCNBHRKPL-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(CC)s2)CC1 ZINC000106316526 194196694 /nfs/dbraw/zinc/19/66/94/194196694.db2.gz MTENQAGIUVJJEM-UHFFFAOYSA-N 0 3 309.439 2.263 20 30 DEEDHN CN(C)[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000109807669 194287632 /nfs/dbraw/zinc/28/76/32/194287632.db2.gz VVQHAOSBJYMUGK-AWEZNQCLSA-N 0 3 320.824 2.176 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccsn1 ZINC000294366258 223993351 /nfs/dbraw/zinc/99/33/51/223993351.db2.gz ASTOBRRKIXJNID-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN COc1cc(NC2CCN(C(=O)C(C)C#N)CC2)cc(OC)c1 ZINC000443797049 533025196 /nfs/dbraw/zinc/02/51/96/533025196.db2.gz HVHSVVUXRCOIFI-LBPRGKRZSA-N 0 3 317.389 2.266 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC000492286551 533047011 /nfs/dbraw/zinc/04/70/11/533047011.db2.gz IUFMBUFXTVDCGO-FNORWQNLSA-N 0 3 317.820 2.352 20 30 DEEDHN COc1cc(OC)cc([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000192878918 533085173 /nfs/dbraw/zinc/08/51/73/533085173.db2.gz JUPZAZJYHHMOIY-QEORTHHSSA-N 0 3 304.390 2.409 20 30 DEEDHN COCC1(C#N)CCN(C[C@@H](O)CCc2ccccc2)CC1 ZINC000342005723 533111035 /nfs/dbraw/zinc/11/10/35/533111035.db2.gz ZPVVJQRQOBMNLP-KRWDZBQOSA-N 0 3 302.418 2.232 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000157113673 533118696 /nfs/dbraw/zinc/11/86/96/533118696.db2.gz BLDHROYVSCNPTC-AKLVUOHOSA-N 0 3 315.417 2.223 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](N)C(C)C)cc(OC)c1OC ZINC000157040725 197157501 /nfs/dbraw/zinc/15/75/01/197157501.db2.gz PZFGULHTXDFYDN-HNNXBMFYSA-N 0 3 306.406 2.032 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H]2CCCCN2)cc(OC)c1OC ZINC000157037664 197157252 /nfs/dbraw/zinc/15/72/52/197157252.db2.gz OONGAXOGJKRBPS-OAHLLOKOSA-N 0 3 318.417 2.191 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC ZINC000328943323 285233067 /nfs/dbraw/zinc/23/30/67/285233067.db2.gz FSYOQILSOSDUAG-HZSPNIEDSA-N 0 3 310.442 2.072 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000120388546 195157439 /nfs/dbraw/zinc/15/74/39/195157439.db2.gz VMTCNUBDFOPJIC-RHSMWYFYSA-N 0 3 312.413 2.013 20 30 DEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1F ZINC000289574333 221077700 /nfs/dbraw/zinc/07/77/00/221077700.db2.gz BCWCPWZXHCRPMF-CQSZACIVSA-N 0 3 300.337 2.175 20 30 DEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(C#N)o1 ZINC000343147836 132657395 /nfs/dbraw/zinc/65/73/95/132657395.db2.gz DFIXNMOJQBWFLJ-UHFFFAOYSA-N 0 3 313.357 2.061 20 30 DEEDHN Cc1ccnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1C#N ZINC000343518164 132685501 /nfs/dbraw/zinc/68/55/01/132685501.db2.gz YIVUFRYIDIUVFF-IBGZPJMESA-N 0 3 322.412 2.311 20 30 DEEDHN C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000564203364 292088281 /nfs/dbraw/zinc/08/82/81/292088281.db2.gz OSRXXLIAVQDTMG-UMVBOHGHSA-N 0 3 321.446 2.141 20 30 DEEDHN Cn1cc(CNCc2ccc(Cn3ccnc3)cc2)cc1C#N ZINC000190753399 145047653 /nfs/dbraw/zinc/04/76/53/145047653.db2.gz FIQDAYAXJRTIRX-UHFFFAOYSA-N 0 3 305.385 2.431 20 30 DEEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CN(C)C)c1C#N ZINC000346129495 146020080 /nfs/dbraw/zinc/02/00/80/146020080.db2.gz FTGWVPRFXKRGLD-JTQLQIEISA-N 0 3 318.446 2.232 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000346158850 146026516 /nfs/dbraw/zinc/02/65/16/146026516.db2.gz CKYZYSDVSUIANZ-AHIWAGSCSA-N 0 3 315.392 2.500 20 30 DEEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)CCN1C1CCN(C)CC1 ZINC000349296826 146365743 /nfs/dbraw/zinc/36/57/43/146365743.db2.gz MWBJIZUZQOBBAE-CQSZACIVSA-N 0 3 318.490 2.220 20 30 DEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cnccc1C#N ZINC000358921889 147231169 /nfs/dbraw/zinc/23/11/69/147231169.db2.gz RFFSGEXLXYDQBZ-HNNXBMFYSA-N 0 3 300.406 2.194 20 30 DEEDHN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(C#N)cc2)cn1 ZINC000371334253 148090163 /nfs/dbraw/zinc/09/01/63/148090163.db2.gz DSBGDIMOWBEXCW-MSOLQXFVSA-N 0 3 310.401 2.380 20 30 DEEDHN CN1C[C@H](NC(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000371356394 148092491 /nfs/dbraw/zinc/09/24/91/148092491.db2.gz XKRKKVZCJYZYJK-MSOLQXFVSA-N 0 3 305.381 2.386 20 30 DEEDHN CO[C@H]1CCCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000276929071 286038016 /nfs/dbraw/zinc/03/80/16/286038016.db2.gz ILFZSBAMVQIDJM-SJORKVTESA-N 0 3 315.417 2.480 20 30 DEEDHN CCCC[C@H](COC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000565946297 292192757 /nfs/dbraw/zinc/19/27/57/292192757.db2.gz NDBSDWTWLCYYIR-OAHLLOKOSA-N 0 3 324.446 2.127 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000071951855 401698987 /nfs/dbraw/zinc/69/89/87/401698987.db2.gz XFWBVEJIQRZZCS-GFCCVEGCSA-N 0 3 320.397 2.078 20 30 DEEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)CCCC#N)C1 ZINC000111350253 401712950 /nfs/dbraw/zinc/71/29/50/401712950.db2.gz HVXADKXHTPRQFT-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000076994645 401802418 /nfs/dbraw/zinc/80/24/18/401802418.db2.gz HZMOBVNRZNFLDD-KRWDZBQOSA-N 0 3 318.392 2.286 20 30 DEEDHN N#CCCn1cc(CNCCn2cccn2)c(-c2ccccc2)n1 ZINC000113326242 401776253 /nfs/dbraw/zinc/77/62/53/401776253.db2.gz UIGFZGUPBIKISG-UHFFFAOYSA-N 0 3 320.400 2.450 20 30 DEEDHN CN(C)[C@H](CNC(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000027580503 401846195 /nfs/dbraw/zinc/84/61/95/401846195.db2.gz OTSRQAVOALVHTG-SFHVURJKSA-N 0 3 307.397 2.461 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cccc(OCC)c2)CC1 ZINC000133937293 401896098 /nfs/dbraw/zinc/89/60/98/401896098.db2.gz XJJHNFIBFVYSEO-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)c2cc(C#N)cs2)CC1 ZINC000084190921 401903428 /nfs/dbraw/zinc/90/34/28/401903428.db2.gz UXQYHBMVDLFHOX-UHFFFAOYSA-N 0 3 321.446 2.239 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134777702 401913925 /nfs/dbraw/zinc/91/39/25/401913925.db2.gz GKPBIOISGGXLEK-XKQJLSEDSA-N 0 3 320.408 2.404 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000135016991 401923827 /nfs/dbraw/zinc/92/38/27/401923827.db2.gz LGJWEEWMGMXVTP-MRXNPFEDSA-N 0 3 305.422 2.181 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc(C)cn1)C(C)C ZINC000046049339 401965509 /nfs/dbraw/zinc/96/55/09/401965509.db2.gz MQRSGLHXENHOIT-MRXNPFEDSA-N 0 3 302.422 2.213 20 30 DEEDHN C[C@@H]1C[C@H](O)CN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000329906405 404489974 /nfs/dbraw/zinc/48/99/74/404489974.db2.gz KDFFBETYZNIEGS-HZSPNIEDSA-N 0 3 323.462 2.254 20 30 DEEDHN C=CCCS(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000121114057 402015879 /nfs/dbraw/zinc/01/58/79/402015879.db2.gz BLLUBKUAMCLFTB-KRWDZBQOSA-N 0 3 322.474 2.346 20 30 DEEDHN CN(C)C(=O)COc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000048745713 402007469 /nfs/dbraw/zinc/00/74/69/402007469.db2.gz BALCJYSGXYYXOU-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000065589086 402126501 /nfs/dbraw/zinc/12/65/01/402126501.db2.gz GWVACZRXRQXLFY-MRXNPFEDSA-N 0 3 302.422 2.297 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCCO1 ZINC000065930471 402128019 /nfs/dbraw/zinc/12/80/19/402128019.db2.gz XLXRKDVRYCHHCW-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000123771526 402145176 /nfs/dbraw/zinc/14/51/76/402145176.db2.gz OZCIDHCBKJPLNP-OAHLLOKOSA-N 0 3 303.406 2.375 20 30 DEEDHN COc1cc(CCNCc2cnc3c(C#N)cnn3c2)ccc1C ZINC000566241893 292220616 /nfs/dbraw/zinc/22/06/16/292220616.db2.gz DGJJWCRSNRTALQ-UHFFFAOYSA-N 0 3 321.384 2.250 20 30 DEEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000123977966 402157507 /nfs/dbraw/zinc/15/75/07/402157507.db2.gz YGUWJRULVAFCFL-AWEZNQCLSA-N 0 3 310.438 2.075 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124529118 402184359 /nfs/dbraw/zinc/18/43/59/402184359.db2.gz SECUMTPBMIIQAA-UHFFFAOYSA-N 0 3 319.365 2.152 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@](C)(CC)c2nccs2)CC1 ZINC000154294277 402204329 /nfs/dbraw/zinc/20/43/29/402204329.db2.gz QPYIFUSJUUDCNW-MRXNPFEDSA-N 0 3 305.447 2.230 20 30 DEEDHN C=CCNC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000102691178 402170824 /nfs/dbraw/zinc/17/08/24/402170824.db2.gz ISEKDBPPEKAZFO-KRWDZBQOSA-N 0 3 304.390 2.047 20 30 DEEDHN Cc1nccn1CCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000125233129 402220388 /nfs/dbraw/zinc/22/03/88/402220388.db2.gz JKJFMBMCOAQSPL-IBGZPJMESA-N 0 3 323.444 2.464 20 30 DEEDHN C#CCOc1cccc(NC(=O)NCCN2CCCCC2)c1 ZINC000108519956 402255567 /nfs/dbraw/zinc/25/55/67/402255567.db2.gz VSEISSJJNYWAQB-UHFFFAOYSA-N 0 3 301.390 2.306 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108589080 402257863 /nfs/dbraw/zinc/25/78/63/402257863.db2.gz DUNNOBKPINZPEH-INIZCTEOSA-N 0 3 300.406 2.041 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)CC1 ZINC000106035550 402212049 /nfs/dbraw/zinc/21/20/49/402212049.db2.gz LXJJDBYLPISIIV-WBVHZDCISA-N 0 3 324.465 2.117 20 30 DEEDHN CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)N1CCc2ccccc2C1 ZINC000156872793 402289512 /nfs/dbraw/zinc/28/95/12/402289512.db2.gz WAMPDWLEIPOMRY-QGZVFWFLSA-N 0 3 322.412 2.453 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000186170202 402407737 /nfs/dbraw/zinc/40/77/37/402407737.db2.gz VUFMDSDVPDHYTP-UHFFFAOYSA-N 0 3 313.445 2.411 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1cc(Cl)cn1)C(C)C ZINC000350917036 404491605 /nfs/dbraw/zinc/49/16/05/404491605.db2.gz GUZCOQUCVHOGHG-OAHLLOKOSA-N 0 3 324.856 2.351 20 30 DEEDHN CC#CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000186585711 402444794 /nfs/dbraw/zinc/44/47/94/402444794.db2.gz WJGIMSLNNMRFAO-UHFFFAOYSA-N 0 3 317.458 2.423 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185925639 402389845 /nfs/dbraw/zinc/38/98/45/402389845.db2.gz RFRZGYOXMRQFHU-HOTGVXAUSA-N 0 3 310.486 2.056 20 30 DEEDHN CN(CCCN1CCN(C)CC1)Cc1ccc(Cl)cc1C#N ZINC000187366820 402496208 /nfs/dbraw/zinc/49/62/08/402496208.db2.gz CPPDVFKTWACYOB-UHFFFAOYSA-N 0 3 320.868 2.281 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000170935958 402543079 /nfs/dbraw/zinc/54/30/79/402543079.db2.gz JTMJYLJRRCTSOX-HNNXBMFYSA-N 0 3 316.380 2.077 20 30 DEEDHN Cc1nccn1CCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000179267392 402583440 /nfs/dbraw/zinc/58/34/40/402583440.db2.gz ONQPPAXIXCEVJR-UHFFFAOYSA-N 0 3 324.432 2.061 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2OC)CC1 ZINC000171725066 402614762 /nfs/dbraw/zinc/61/47/62/402614762.db2.gz SDZCBKFTPZLZNA-CMDGGOBGSA-N 0 3 300.402 2.475 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000171853625 402628627 /nfs/dbraw/zinc/62/86/27/402628627.db2.gz CAPKTPCCNQGGOF-OAHLLOKOSA-N 0 3 318.396 2.371 20 30 DEEDHN Cc1ccc2c(c1)[C@@H](NCCNC(=O)C1N=CC=CC1=O)CC2 ZINC000180871057 402628626 /nfs/dbraw/zinc/62/86/26/402628626.db2.gz HUWQITSJSXALRP-DVEDPGPFSA-N 0 3 311.385 2.098 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(C#N)cc1 ZINC000172132283 402641544 /nfs/dbraw/zinc/64/15/44/402641544.db2.gz OWBYGSXLMYXORA-MRXNPFEDSA-N 0 3 300.406 2.041 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2c(C)nn(C)c2Cl)CC1 ZINC000255677798 402694601 /nfs/dbraw/zinc/69/46/01/402694601.db2.gz FZGIHLKQUZWGIN-WAYWQWQTSA-N 0 3 322.840 2.162 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255694603 402695104 /nfs/dbraw/zinc/69/51/04/402695104.db2.gz KVYIMCURSIHSCH-YFHOEESVSA-N 0 3 315.417 2.401 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@@H](CO)c1ccccc1 ZINC000182920662 402727364 /nfs/dbraw/zinc/72/73/64/402727364.db2.gz OUFOXKAMLUQRPF-INIZCTEOSA-N 0 3 312.369 2.269 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCN1c2ccccc2CC1=O ZINC000329914779 404492790 /nfs/dbraw/zinc/49/27/90/404492790.db2.gz XZJXRTZNLGSXNS-ZIAGYGMSSA-N 0 3 315.417 2.405 20 30 DEEDHN C#CCCOc1ccc(CNCC2(CS(C)(=O)=O)CC2)cc1 ZINC000174941340 402764737 /nfs/dbraw/zinc/76/47/37/402764737.db2.gz RCGFWWLZWZPXII-UHFFFAOYSA-N 0 3 321.442 2.003 20 30 DEEDHN CS(=O)(=O)Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000174995318 402769933 /nfs/dbraw/zinc/76/99/33/402769933.db2.gz DFKKXUFQFQFNNW-UHFFFAOYSA-N 0 3 314.410 2.393 20 30 DEEDHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000193919114 402778536 /nfs/dbraw/zinc/77/85/36/402778536.db2.gz JQLFOGQKQFIXRL-UHFFFAOYSA-N 0 3 321.446 2.099 20 30 DEEDHN C=CCN(Cc1ccccc1F)C(=O)NCCN(C)CCOC ZINC000263705632 402793455 /nfs/dbraw/zinc/79/34/55/402793455.db2.gz AKJXYPIRVOERTL-UHFFFAOYSA-N 0 3 323.412 2.102 20 30 DEEDHN C=CCCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000263970878 402825870 /nfs/dbraw/zinc/82/58/70/402825870.db2.gz HQMSPOIPNRRRLZ-UHFFFAOYSA-N 0 3 303.362 2.061 20 30 DEEDHN N#CCOc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000278718736 402870137 /nfs/dbraw/zinc/87/01/37/402870137.db2.gz QJYQNXQQODAWLE-UHFFFAOYSA-N 0 3 313.401 2.080 20 30 DEEDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000264587350 402890288 /nfs/dbraw/zinc/89/02/88/402890288.db2.gz FMCDMPSKHAUIBH-MRXNPFEDSA-N 0 3 312.369 2.136 20 30 DEEDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000264587350 402890291 /nfs/dbraw/zinc/89/02/91/402890291.db2.gz FMCDMPSKHAUIBH-MRXNPFEDSA-N 0 3 312.369 2.136 20 30 DEEDHN Cc1cc(NC(=O)N[C@@H](C)CN2CCCCC2)nn1CCC#N ZINC000272084967 402895382 /nfs/dbraw/zinc/89/53/82/402895382.db2.gz MFWPUYBGLBFPMZ-ZDUSSCGKSA-N 0 3 318.425 2.101 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1OC ZINC000272532456 402949850 /nfs/dbraw/zinc/94/98/50/402949850.db2.gz INRYBKPZJAHGFT-STQMWFEESA-N 0 3 304.390 2.082 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000272827722 402960778 /nfs/dbraw/zinc/96/07/78/402960778.db2.gz HAWPSFJJYVHPCC-MRXNPFEDSA-N 0 3 310.463 2.394 20 30 DEEDHN CCN(C[C@@H]1CCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280106323 402967321 /nfs/dbraw/zinc/96/73/21/402967321.db2.gz SYJAGMLKDWGEMM-IRXDYDNUSA-N 0 3 311.385 2.268 20 30 DEEDHN Cc1noc(C)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279263691 402923870 /nfs/dbraw/zinc/92/38/70/402923870.db2.gz IKXZMJMCDRLTNF-HNNXBMFYSA-N 0 3 308.341 2.162 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)CC1 ZINC000280481143 403003679 /nfs/dbraw/zinc/00/36/79/403003679.db2.gz JFEGNFWHXDPMSY-SFHVURJKSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(C)CS(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000280641166 403022387 /nfs/dbraw/zinc/02/23/87/403022387.db2.gz UWHWIQUYGWMFMY-QGZVFWFLSA-N 0 3 322.474 2.346 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000273961088 403029082 /nfs/dbraw/zinc/02/90/82/403029082.db2.gz GNGXYUNREXPLKG-GMXVVIOVSA-N 0 3 305.378 2.110 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000273961088 403029084 /nfs/dbraw/zinc/02/90/84/403029084.db2.gz GNGXYUNREXPLKG-GMXVVIOVSA-N 0 3 305.378 2.110 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)nc2)C1 ZINC000274220668 403036248 /nfs/dbraw/zinc/03/62/48/403036248.db2.gz PQBZQJJRJNVQCT-ZBFHGGJFSA-N 0 3 300.406 2.090 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000280824687 403040699 /nfs/dbraw/zinc/04/06/99/403040699.db2.gz VUZRKPGQQJMCRI-YVEFUNNKSA-N 0 3 307.390 2.480 20 30 DEEDHN COC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280831145 403041397 /nfs/dbraw/zinc/04/13/97/403041397.db2.gz IOPCEUZBWXSMND-IRXDYDNUSA-N 0 3 311.385 2.126 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000280945031 403052832 /nfs/dbraw/zinc/05/28/32/403052832.db2.gz WUICQXYTTPBKEC-ZOBUZTSGSA-N 0 3 323.458 2.420 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCCO1 ZINC000281047861 403057802 /nfs/dbraw/zinc/05/78/02/403057802.db2.gz GDVZUCUKWSOLCU-DLBZAZTESA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@@H]1CSCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281090758 403058273 /nfs/dbraw/zinc/05/82/73/403058273.db2.gz BWVRZXZBMTYFDS-BBRMVZONSA-N 0 3 313.426 2.452 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000281068397 403058310 /nfs/dbraw/zinc/05/83/10/403058310.db2.gz ZROLBBKJJGSZRC-ROUUACIJSA-N 0 3 324.428 2.231 20 30 DEEDHN C=CCN1CC[C@H](N2CCC[C@@H]2Cn2cnc3ccccc32)C1=O ZINC000281142133 403059412 /nfs/dbraw/zinc/05/94/12/403059412.db2.gz ATFDESSYJDAGPL-QAPCUYQASA-N 0 3 324.428 2.288 20 30 DEEDHN CCCCN(CCCO)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281577344 403071640 /nfs/dbraw/zinc/07/16/40/403071640.db2.gz MSNZNHUFUHHJOG-KRWDZBQOSA-N 0 3 313.401 2.252 20 30 DEEDHN COc1cc(CNC[C@H]2COC3(CCCC3)O2)ccc1C#N ZINC000281714004 403084722 /nfs/dbraw/zinc/08/47/22/403084722.db2.gz OSGLXHPAQDMOER-HNNXBMFYSA-N 0 3 302.374 2.342 20 30 DEEDHN Cc1nc([C@@H]2CCCN(CCOc3cccc(C#N)c3)C2)n[nH]1 ZINC000268506316 403089785 /nfs/dbraw/zinc/08/97/85/403089785.db2.gz TZFJHCMDBZBMDK-OAHLLOKOSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1n[nH]c([C@@H]2CCCN(CCOc3cccc(C#N)c3)C2)n1 ZINC000268506316 403089786 /nfs/dbraw/zinc/08/97/86/403089786.db2.gz TZFJHCMDBZBMDK-OAHLLOKOSA-N 0 3 311.389 2.243 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccc(OC)cc3)C2)C1=O ZINC000282005500 403112752 /nfs/dbraw/zinc/11/27/52/403112752.db2.gz NXDAETCNXMFQAV-RDJZCZTQSA-N 0 3 300.402 2.271 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(OCC#N)cc2)C1(C)C ZINC000275472344 403102806 /nfs/dbraw/zinc/10/28/06/403102806.db2.gz CWIRLPJINQNUAE-SJLPKXTDSA-N 0 3 318.417 2.245 20 30 DEEDHN CCOC(=O)CC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268679018 403105603 /nfs/dbraw/zinc/10/56/03/403105603.db2.gz LWECGWNDZMOUAX-QGZVFWFLSA-N 0 3 316.401 2.257 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@H]1CCCC12CCOCC2 ZINC000282012107 403113444 /nfs/dbraw/zinc/11/34/44/403113444.db2.gz JSHJQBFKCBSYIA-ZDUSSCGKSA-N 0 3 319.430 2.497 20 30 DEEDHN O=C1CC[C@H](NCC#Cc2cccc(Cl)c2)C2(CCC2)N1 ZINC000282767242 403159431 /nfs/dbraw/zinc/15/94/31/403159431.db2.gz LKAOVJFJNXOWCF-HNNXBMFYSA-N 0 3 302.805 2.482 20 30 DEEDHN CCN1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000283756410 403220692 /nfs/dbraw/zinc/22/06/92/403220692.db2.gz MCGNOXBKLSRKSC-ZDUSSCGKSA-N 0 3 303.366 2.335 20 30 DEEDHN C=C(C)COc1cc(CNCC[C@@H](O)COC)ccc1OC ZINC000270795091 403225303 /nfs/dbraw/zinc/22/53/03/403225303.db2.gz IDXZIXNMYOEQCM-OAHLLOKOSA-N 0 3 309.406 2.137 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000276500201 403181145 /nfs/dbraw/zinc/18/11/45/403181145.db2.gz WDKZGAUVNIORFW-AEFFLSMTSA-N 0 3 315.461 2.274 20 30 DEEDHN C[C@H](CO)N(CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000276504951 403181619 /nfs/dbraw/zinc/18/16/19/403181619.db2.gz YKXNVOCPGHPCNB-CYBMUJFWSA-N 0 3 301.390 2.122 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2snc(C)c2C#N)CC1 ZINC000283409170 403195641 /nfs/dbraw/zinc/19/56/41/403195641.db2.gz AQZXVZMXLPFUAE-GFCCVEGCSA-N 0 3 307.467 2.009 20 30 DEEDHN Cc1ncsc1CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292107491 403294739 /nfs/dbraw/zinc/29/47/39/403294739.db2.gz GWUFOHFLROAZNM-AWEZNQCLSA-N 0 3 314.414 2.414 20 30 DEEDHN Cc1ccc(O)c(CN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000271043212 403257547 /nfs/dbraw/zinc/25/75/47/403257547.db2.gz OHQNFRNIVAFADT-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C[C@@H]1CN(CCCNc2nc3ccccn3c2C#N)CCCO1 ZINC000277944363 403273628 /nfs/dbraw/zinc/27/36/28/403273628.db2.gz IDFDTVSAXBZUMX-CQSZACIVSA-N 0 3 313.405 2.119 20 30 DEEDHN N#Cc1ccc(OC2CCN(CCn3ccnc3)CC2)c(F)c1 ZINC000285391990 403286731 /nfs/dbraw/zinc/28/67/31/403286731.db2.gz DJPIFNMIBARNTE-UHFFFAOYSA-N 0 3 314.364 2.437 20 30 DEEDHN CSC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285635857 403346022 /nfs/dbraw/zinc/34/60/22/403346022.db2.gz YWPNQGARYTYXMI-CYBMUJFWSA-N 0 3 324.421 2.264 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ccncn3)CC2)cc1 ZINC000298365646 403366813 /nfs/dbraw/zinc/36/68/13/403366813.db2.gz NJLQUICFGDFRLH-GOSISDBHSA-N 0 3 308.385 2.261 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)cc1 ZINC000285646502 403348344 /nfs/dbraw/zinc/34/83/44/403348344.db2.gz DLZISBMFWNCZDH-ZBFHGGJFSA-N 0 3 313.401 2.022 20 30 DEEDHN Cc1ccc([C@H](O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292140824 403303652 /nfs/dbraw/zinc/30/36/52/403303652.db2.gz JKZURKYDLRQWMC-QZTJIDSGSA-N 0 3 323.396 2.448 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000342716287 403320168 /nfs/dbraw/zinc/32/01/68/403320168.db2.gz BYQADTNUCXHMAH-ZDUSSCGKSA-N 0 3 306.406 2.216 20 30 DEEDHN Cc1nc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)ccc1C#N ZINC000292210302 403322765 /nfs/dbraw/zinc/32/27/65/403322765.db2.gz BCASANYJWKOOEP-ZDUSSCGKSA-N 0 3 312.417 2.208 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000342740204 403329726 /nfs/dbraw/zinc/32/97/26/403329726.db2.gz RANCYFWEIDYFMP-CQSZACIVSA-N 0 3 318.417 2.013 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@]2(C)CO)c(C#N)c1C ZINC000331129791 403335005 /nfs/dbraw/zinc/33/50/05/403335005.db2.gz AKQVYRLGZONLED-FABXCBLPSA-N 0 3 319.405 2.236 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)NCCCN(C)CCOC ZINC000298655891 403433560 /nfs/dbraw/zinc/43/35/60/403433560.db2.gz AQOTZTOLUAMUPZ-UHFFFAOYSA-N 0 3 319.449 2.353 20 30 DEEDHN Cc1ccc(N2CCC[C@H](NCc3cc(C#N)cs3)C2)nn1 ZINC000331639935 403439091 /nfs/dbraw/zinc/43/90/91/403439091.db2.gz RTQCSJRSXQTIAF-AWEZNQCLSA-N 0 3 313.430 2.477 20 30 DEEDHN N#CCCOCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000293426046 403469376 /nfs/dbraw/zinc/46/93/76/403469376.db2.gz ATLPWZCCAXCASV-UHFFFAOYSA-N 0 3 317.364 2.471 20 30 DEEDHN C#C[C@H](C)NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286952600 403549405 /nfs/dbraw/zinc/54/94/05/403549405.db2.gz FPSOKFGQRFUVIZ-QFBILLFUSA-N 0 3 311.429 2.316 20 30 DEEDHN C[C@@H]1COCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287099132 403553943 /nfs/dbraw/zinc/55/39/43/403553943.db2.gz ZAZJDGPZFWSYNY-COXVUDFISA-N 0 3 311.385 2.029 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(Br)c1 ZINC000293875026 403588062 /nfs/dbraw/zinc/58/80/62/403588062.db2.gz CDNPQDWEKIPBRP-UHFFFAOYSA-N 0 3 323.234 2.063 20 30 DEEDHN CN(C)CCN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000301179210 403598767 /nfs/dbraw/zinc/59/87/67/403598767.db2.gz OMCKYXCMHYJQBG-UHFFFAOYSA-N 0 3 307.829 2.045 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000293923000 403600199 /nfs/dbraw/zinc/60/01/99/403600199.db2.gz HBSJUGRJCNBJNC-UHFFFAOYSA-N 0 3 314.307 2.096 20 30 DEEDHN C=C(CNC(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1 ZINC000287452345 403602116 /nfs/dbraw/zinc/60/21/16/403602116.db2.gz CSJQSNOVDPCNQU-QGZVFWFLSA-N 0 3 319.474 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/nfs/dbraw/zinc/89/46/64/403894664.db2.gz GWNDKFJCGNXKCS-UKRRQHHQSA-N 0 3 321.446 2.052 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](CO)C[C@@H]1C ZINC000344118605 403922745 /nfs/dbraw/zinc/92/27/45/403922745.db2.gz CHJNDEDGESGHGH-XYJFISCASA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCC[C@H](O)CN1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000362137193 403930050 /nfs/dbraw/zinc/93/00/50/403930050.db2.gz OITSCBMEPWLKFI-RDJZCZTQSA-N 0 3 303.402 2.476 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](CO)C[C@H]1C ZINC000344151645 403942613 /nfs/dbraw/zinc/94/26/13/403942613.db2.gz SXWIWAVNTBXVNS-UKRRQHHQSA-N 0 3 304.390 2.038 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000305829699 403946097 /nfs/dbraw/zinc/94/60/97/403946097.db2.gz NQLVEZOULYIZDM-NVXWUHKLSA-N 0 3 323.481 2.219 20 30 DEEDHN CN(C[C@H](O)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000336876731 403947775 /nfs/dbraw/zinc/94/77/75/403947775.db2.gz UXZRJSPITZVBPQ-FHWLQOOXSA-N 0 3 313.445 2.213 20 30 DEEDHN CCCN(CCN1CCCC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411716447 403948316 /nfs/dbraw/zinc/94/83/16/403948316.db2.gz FZYDXBYABYBTHB-AEFFLSMTSA-N 0 3 322.497 2.237 20 30 DEEDHN C=C(C)CCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000351879096 403981783 /nfs/dbraw/zinc/98/17/83/403981783.db2.gz GPZSHFYMXODEJM-UHFFFAOYSA-N 0 3 308.447 2.396 20 30 DEEDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2sccc2C#N)C1(C)C ZINC000295805036 404013747 /nfs/dbraw/zinc/01/37/47/404013747.db2.gz AVSUXPFYXQJYEC-XHDPSFHLSA-N 0 3 307.419 2.351 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000295831055 404015008 /nfs/dbraw/zinc/01/50/08/404015008.db2.gz WCQNCAZXOODJHO-MAUKXSAKSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CCOCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000348060783 404023720 /nfs/dbraw/zinc/02/37/20/404023720.db2.gz RVHYAFGOXFHHHR-ZDUSSCGKSA-N 0 3 306.366 2.069 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CCC1CCCC1 ZINC000362956527 404024406 /nfs/dbraw/zinc/02/44/06/404024406.db2.gz ZIEWBHYJZWJAAI-OAHLLOKOSA-N 0 3 307.438 2.433 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000337437541 404024874 /nfs/dbraw/zinc/02/48/74/404024874.db2.gz XZCUYZRTQWVZQT-STQMWFEESA-N 0 3 307.825 2.099 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1NC1CCN(C2CCC2)CC1 ZINC000296063685 404076157 /nfs/dbraw/zinc/07/61/57/404076157.db2.gz RJCBRLLYFORFIN-UHFFFAOYSA-N 0 3 301.350 2.290 20 30 DEEDHN C=CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000348567139 404077861 /nfs/dbraw/zinc/07/78/61/404077861.db2.gz ALGZDJLIZQSKPF-UHFFFAOYSA-N 0 3 303.406 2.146 20 30 DEEDHN C[C@H](O)C[C@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000323664417 404094261 /nfs/dbraw/zinc/09/42/61/404094261.db2.gz VIRVICRHNFONGC-JKSUJKDBSA-N 0 3 321.465 2.345 20 30 DEEDHN C=CCn1c(C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000290097040 404039211 /nfs/dbraw/zinc/03/92/11/404039211.db2.gz DVGLQCMSDUDPQV-KRWDZBQOSA-N 0 3 311.433 2.483 20 30 DEEDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1sccc1C#N)C1CC1 ZINC000411978434 404040969 /nfs/dbraw/zinc/04/09/69/404040969.db2.gz 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/nfs/dbraw/zinc/10/48/90/404104890.db2.gz AXHSHTLIVGBLFQ-STQMWFEESA-N 0 3 304.356 2.426 20 30 DEEDHN CN(CC#Cc1ccc(F)cc1)C(C)(C)CN1CCOCC1 ZINC000412102697 404134443 /nfs/dbraw/zinc/13/44/43/404134443.db2.gz XOBCDFZLJRKLAC-UHFFFAOYSA-N 0 3 304.409 2.220 20 30 DEEDHN COCCN(C)CC[C@H](NC(=O)C(C)(C)C#N)c1ccccc1 ZINC000349281681 404143214 /nfs/dbraw/zinc/14/32/14/404143214.db2.gz KRZYUXPZIUMDSP-INIZCTEOSA-N 0 3 317.433 2.362 20 30 DEEDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000296278504 404175983 /nfs/dbraw/zinc/17/59/83/404175983.db2.gz YRQUYZINFFORJQ-GJZGRUSLSA-N 0 3 314.433 2.301 20 30 DEEDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000296292709 404181506 /nfs/dbraw/zinc/18/15/06/404181506.db2.gz ZHRKWSIOPBCESG-OAHLLOKOSA-N 0 3 314.433 2.303 20 30 DEEDHN C[C@@H]1OCC[C@]12CN(CCCC1(C#N)CCOCC1)C[C@@H](C)O2 ZINC000369708031 404202552 /nfs/dbraw/zinc/20/25/52/404202552.db2.gz YRNHVASEFXYZHI-RYRKJORJSA-N 0 3 322.449 2.355 20 30 DEEDHN CC(C)[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000329137483 404241638 /nfs/dbraw/zinc/24/16/38/404241638.db2.gz HOAVWSOTTQNTBY-ZBFHGGJFSA-N 0 3 309.454 2.320 20 30 DEEDHN CC(C)[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000329137482 404242035 /nfs/dbraw/zinc/24/20/35/404242035.db2.gz HOAVWSOTTQNTBY-HOCLYGCPSA-N 0 3 309.454 2.320 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1OC ZINC000344597353 404250002 /nfs/dbraw/zinc/25/00/02/404250002.db2.gz IPELBRGTIHBIIQ-HIFRSBDPSA-N 0 3 318.417 2.473 20 30 DEEDHN CC1(C#N)CCN(C(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000290647455 404257524 /nfs/dbraw/zinc/25/75/24/404257524.db2.gz YWCTVKOEDUIDBB-LSDHHAIUSA-N 0 3 312.369 2.443 20 30 DEEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)c[nH]1 ZINC000344636413 404276560 /nfs/dbraw/zinc/27/65/60/404276560.db2.gz OOJRCORYXYONAV-NSHDSACASA-N 0 3 322.324 2.178 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000329254383 404279414 /nfs/dbraw/zinc/27/94/14/404279414.db2.gz 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/nfs/dbraw/zinc/30/27/64/404302764.db2.gz ATBAZARLRMLRPP-OAHLLOKOSA-N 0 3 300.406 2.112 20 30 DEEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)C2=CCN(C)CC2)no1 ZINC000329332410 404306484 /nfs/dbraw/zinc/30/64/84/404306484.db2.gz ZZXICHJVLTYEKM-FZMZJTMJSA-N 0 3 319.409 2.079 20 30 DEEDHN C[C@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@H]1N(C)C ZINC000329339454 404307530 /nfs/dbraw/zinc/30/75/30/404307530.db2.gz NSBPANCYKFXVSY-SMDDNHRTSA-N 0 3 317.389 2.079 20 30 DEEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000355318871 404322818 /nfs/dbraw/zinc/32/28/18/404322818.db2.gz ROWIBHXIBDMQET-RHSMWYFYSA-N 0 3 318.417 2.173 20 30 DEEDHN Cc1nc([C@@H]2CCCN2C(=O)NCCN2CCC[C@H](C)C2)no1 ZINC000329387682 404323245 /nfs/dbraw/zinc/32/32/45/404323245.db2.gz QHMIEUCFUKAYFL-JSGCOSHPSA-N 0 3 321.425 2.161 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000352454200 404382298 /nfs/dbraw/zinc/38/22/98/404382298.db2.gz SSQUZLFKWOWIRF-ILXRZTDVSA-N 0 3 312.479 2.006 20 30 DEEDHN CS[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000352473166 404395067 /nfs/dbraw/zinc/39/50/67/404395067.db2.gz QEGNCNQYIIITAE-GJZGRUSLSA-N 0 3 321.490 2.499 20 30 DEEDHN C=CCN(Cc1[nH]ncc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000356210482 404405611 /nfs/dbraw/zinc/40/56/11/404405611.db2.gz FRFONXNFIVYVKH-CQSZACIVSA-N 0 3 323.404 2.443 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccc(C#N)cc1 ZINC000291745241 404502760 /nfs/dbraw/zinc/50/27/60/404502760.db2.gz ZDCULMPFMFLUHB-KSSFIOAISA-N 0 3 312.417 2.356 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356413692 404508633 /nfs/dbraw/zinc/50/86/33/404508633.db2.gz FAIORZMXEMNILZ-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN CO[C@]1(C)CCCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329743509 404439147 /nfs/dbraw/zinc/43/91/47/404439147.db2.gz PZZKARMAQGTXQO-BLLLJJGKSA-N 0 3 306.410 2.072 20 30 DEEDHN CO[C@]1(C)CCCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329743509 404439150 /nfs/dbraw/zinc/43/91/50/404439150.db2.gz PZZKARMAQGTXQO-BLLLJJGKSA-N 0 3 306.410 2.072 20 30 DEEDHN CO[C@]1(C)CCCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000329743509 404439153 /nfs/dbraw/zinc/43/91/53/404439153.db2.gz PZZKARMAQGTXQO-BLLLJJGKSA-N 0 3 306.410 2.072 20 30 DEEDHN CO[C@]1(C)CCCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329743509 404439156 /nfs/dbraw/zinc/43/91/56/404439156.db2.gz PZZKARMAQGTXQO-BLLLJJGKSA-N 0 3 306.410 2.072 20 30 DEEDHN CN(CC(=O)N[C@@H]1CCCc2ccccc21)[C@]1(CO)CCOC1 ZINC000329743844 404439225 /nfs/dbraw/zinc/43/92/25/404439225.db2.gz QHXAPEAQLUIIJU-AEFFLSMTSA-N 0 3 318.417 2.104 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccccc1Cl ZINC000297079518 404441554 /nfs/dbraw/zinc/44/15/54/404441554.db2.gz ZGPCTTTUWPXRGB-UHFFFAOYSA-N 0 3 307.825 2.437 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000329779502 404448578 /nfs/dbraw/zinc/44/85/78/404448578.db2.gz QZNMXQRXHSJLSA-LXTVHRRPSA-N 0 3 309.454 2.178 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)NC2CCN(C3CC3)CC2)s1 ZINC000329792293 404454585 /nfs/dbraw/zinc/45/45/85/404454585.db2.gz VBJLNECXYDEIPT-VIFPVBQESA-N 0 3 309.439 2.038 20 30 DEEDHN CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000329795102 404455016 /nfs/dbraw/zinc/45/50/16/404455016.db2.gz CODMCUSDEUVBAT-XJKSGUPXSA-N 0 3 321.465 2.320 20 30 DEEDHN C[C@@H]1CN(c2ccc(F)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000371349579 404457341 /nfs/dbraw/zinc/45/73/41/404457341.db2.gz KCTDRGFLPMULSX-PBHICJAKSA-N 0 3 316.424 2.160 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C#N)o1 ZINC000342444053 404581997 /nfs/dbraw/zinc/58/19/97/404581997.db2.gz HRSLJTCVRKWCQJ-UHFFFAOYSA-N 0 3 303.387 2.417 20 30 DEEDHN CC(C(=O)N[C@H]1CC=CCC1)S(=O)(=O)C1CCOCC1 ZINC000330153158 404568967 /nfs/dbraw/zinc/56/89/67/404568967.db2.gz MNLOJBOELVVFDM-NEPJUHHUSA-N 0 3 301.408 2.034 20 30 DEEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000567475774 292316673 /nfs/dbraw/zinc/31/66/73/292316673.db2.gz XGQZFIQQLIZQGT-INIZCTEOSA-N 0 3 302.378 2.238 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CC(OCC)C2)CC1 ZINC000352820759 404647406 /nfs/dbraw/zinc/64/74/06/404647406.db2.gz QYMDQBDRIUGSPS-UHFFFAOYSA-N 0 3 309.454 2.236 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000330277973 404612794 /nfs/dbraw/zinc/61/27/94/404612794.db2.gz OZZVLQHANQQGSI-DZKIICNBSA-N 0 3 320.437 2.247 20 30 DEEDHN C[C@@H]1CSC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000352800785 404633877 /nfs/dbraw/zinc/63/38/77/404633877.db2.gz IJYHWGJFKFIPOW-NOZJJQNGSA-N 0 3 309.822 2.491 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330353752 404635125 /nfs/dbraw/zinc/63/51/25/404635125.db2.gz OVCZQJZUGIYDNL-HUUCEWRRSA-N 0 3 309.454 2.012 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)nc1 ZINC000357535552 404736919 /nfs/dbraw/zinc/73/69/19/404736919.db2.gz SIWWOIWMWFPMPD-GXTWGEPZSA-N 0 3 300.406 2.035 20 30 DEEDHN CC(C#N)C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000357808528 404744229 /nfs/dbraw/zinc/74/42/29/404744229.db2.gz VTSYHWKEABKDOU-CYBMUJFWSA-N 0 3 321.808 2.023 20 30 DEEDHN CC[C@@H](C)N(C)CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000358885340 404779197 /nfs/dbraw/zinc/77/91/97/404779197.db2.gz OYCIFDCFODYOHK-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCNCC1 ZINC000415000167 404784579 /nfs/dbraw/zinc/78/45/79/404784579.db2.gz KBTYCWMPSYNMKY-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1CNC ZINC000415020463 404789585 /nfs/dbraw/zinc/78/95/85/404789585.db2.gz GJBYYMHIFGIBTL-CYBMUJFWSA-N 0 3 303.406 2.206 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415025728 404790237 /nfs/dbraw/zinc/79/02/37/404790237.db2.gz RBPOHRTXBSEDKV-CYBMUJFWSA-N 0 3 303.406 2.206 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccco1 ZINC000353356145 404811323 /nfs/dbraw/zinc/81/13/23/404811323.db2.gz RIIOIAMFBANJSX-SMDDNHRTSA-N 0 3 300.362 2.339 20 30 DEEDHN C#CCOCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000366841038 404856060 /nfs/dbraw/zinc/85/60/60/404856060.db2.gz PEZXHSKVPWUXJF-UHFFFAOYSA-N 0 3 314.429 2.069 20 30 DEEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000361133540 404936812 /nfs/dbraw/zinc/93/68/12/404936812.db2.gz XSJPHFJKEMCGDW-MLGOLLRUSA-N 0 3 315.348 2.183 20 30 DEEDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)[C@H](C)CO1 ZINC000424116488 405011439 /nfs/dbraw/zinc/01/14/39/405011439.db2.gz BUTKYFXWZLJKIS-PVAVHDDUSA-N 0 3 315.417 2.305 20 30 DEEDHN CCc1cccc2c1OCC[C@H]2NC(=O)[C@H](N)CCCC#N ZINC000424114410 405011563 /nfs/dbraw/zinc/01/15/63/405011563.db2.gz RAHPLEWSIITADZ-HUUCEWRRSA-N 0 3 301.390 2.210 20 30 DEEDHN CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H](N)CCCC#N ZINC000424123701 405013989 /nfs/dbraw/zinc/01/39/89/405013989.db2.gz KUJPMMOXHXJDGJ-MRVPVSSYSA-N 0 3 320.340 2.141 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000451596654 405014084 /nfs/dbraw/zinc/01/40/84/405014084.db2.gz GMYNEVHUIHAJDV-SHFYGJNESA-N 0 3 300.402 2.286 20 30 DEEDHN Cc1nc(-c2ccc(C)c(NC(=O)[C@H](N)CCCC#N)c2)n[nH]1 ZINC000424127301 405015821 /nfs/dbraw/zinc/01/58/21/405015821.db2.gz VCXHQWYOGWBGJL-CYBMUJFWSA-N 0 3 312.377 2.048 20 30 DEEDHN CN(Cc1ccccc1N1CCCC1)C(=O)[C@H](N)CCCC#N ZINC000424144379 405020917 /nfs/dbraw/zinc/02/09/17/405020917.db2.gz XKDLXZHMQZEMSR-MRXNPFEDSA-N 0 3 314.433 2.266 20 30 DEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCC#N)C1(CC)CC ZINC000424148412 405022694 /nfs/dbraw/zinc/02/26/94/405022694.db2.gz FJDIMGXQCIBWKQ-QLFBSQMISA-N 0 3 309.454 2.450 20 30 DEEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424148495 405022816 /nfs/dbraw/zinc/02/28/16/405022816.db2.gz FQYYTEUXQDUYDB-IKGGRYGDSA-N 0 3 315.417 2.353 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1F ZINC000424163944 405026798 /nfs/dbraw/zinc/02/67/98/405026798.db2.gz BDXHHXUSDDEOBM-SNVBAGLBSA-N 0 3 301.268 2.387 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000424175039 405030009 /nfs/dbraw/zinc/03/00/09/405030009.db2.gz SRNVCIOGBWVOGP-CRAIPNDOSA-N 0 3 311.433 2.074 20 30 DEEDHN C=C(C)CS(=O)(=O)N1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000435421151 404979147 /nfs/dbraw/zinc/97/91/47/404979147.db2.gz IAUMYHJACKKZRO-QLFBSQMISA-N 0 3 300.468 2.230 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424043513 404982597 /nfs/dbraw/zinc/98/25/97/404982597.db2.gz YRSQFXCUAQODSN-IVMMDQJWSA-N 0 3 306.381 2.060 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000424066528 404992942 /nfs/dbraw/zinc/99/29/42/404992942.db2.gz NNQBQQMNOYYHIR-LLVKDONJSA-N 0 3 301.375 2.165 20 30 DEEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000404161020 405068473 /nfs/dbraw/zinc/06/84/73/405068473.db2.gz ZFCNGAZJCYZPAC-KBPBESRZSA-N 0 3 310.394 2.143 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000367620504 405105773 /nfs/dbraw/zinc/10/57/73/405105773.db2.gz CVFGMUGXYMHQGF-DZOHQFGASA-N 0 3 314.429 2.065 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000452122988 405182971 /nfs/dbraw/zinc/18/29/71/405182971.db2.gz LWFBIYRJJOKOEG-BGTYHANMSA-N 0 3 314.429 2.357 20 30 DEEDHN CCOC(=O)COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425346045 405277123 /nfs/dbraw/zinc/27/71/23/405277123.db2.gz ATOUUSBHRQBVMT-LSDHHAIUSA-N 0 3 302.374 2.410 20 30 DEEDHN C[C@H]1N(CC(=O)NC2(C#N)CCCCC2)CCC12CCOCC2 ZINC000368222738 405232390 /nfs/dbraw/zinc/23/23/90/405232390.db2.gz QYGBFCKTIYLWJJ-OAHLLOKOSA-N 0 3 319.449 2.220 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C(C)(C)O)CC1 ZINC000454467707 405349945 /nfs/dbraw/zinc/34/99/45/405349945.db2.gz RIYMZXGSLNJLKK-UHFFFAOYSA-N 0 3 311.470 2.123 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CCCN1C ZINC000425469653 405295781 /nfs/dbraw/zinc/29/57/81/405295781.db2.gz FQUZHAPSCCJSOJ-CZUORRHYSA-N 0 3 300.406 2.355 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000445769462 405356564 /nfs/dbraw/zinc/35/65/64/405356564.db2.gz ZPAGFZQQJAPLAV-OLZOCXBDSA-N 0 3 323.343 2.293 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@H]1C=C)C(C)C ZINC000455417781 405407050 /nfs/dbraw/zinc/40/70/50/405407050.db2.gz SWKFSPJFMILOAO-ZACQAIPSSA-N 0 3 321.465 2.328 20 30 DEEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000455486307 405416895 /nfs/dbraw/zinc/41/68/95/405416895.db2.gz BUMOYXVXKVNWRS-KRWDZBQOSA-N 0 3 311.429 2.434 20 30 DEEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000455486311 405416981 /nfs/dbraw/zinc/41/69/81/405416981.db2.gz BUMOYXVXKVNWRS-QGZVFWFLSA-N 0 3 311.429 2.434 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000429698604 405444268 /nfs/dbraw/zinc/44/42/68/405444268.db2.gz CQDSSTLATBSQNR-GOSISDBHSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)NCc1cccc(Cl)c1 ZINC000429709323 405445009 /nfs/dbraw/zinc/44/50/09/405445009.db2.gz POKRAJLZHOIGKI-UHFFFAOYSA-N 0 3 323.868 2.396 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC2CCCC2)cc1F ZINC000421321726 405463940 /nfs/dbraw/zinc/46/39/40/405463940.db2.gz DYDUNXIXNPGBSW-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c(Cl)c1 ZINC000556517718 405486707 /nfs/dbraw/zinc/48/67/07/405486707.db2.gz DUFSIPMOMXBENH-GDBMZVCRSA-N 0 3 303.793 2.358 20 30 DEEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000430737819 405501224 /nfs/dbraw/zinc/50/12/24/405501224.db2.gz CZYZEIXWAFTUKB-GFCCVEGCSA-N 0 3 307.419 2.403 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCCC2(CC2)C1 ZINC000528455606 405616615 /nfs/dbraw/zinc/61/66/15/405616615.db2.gz ITLWZYAFKWFKRY-UHFFFAOYSA-N 0 3 308.381 2.162 20 30 DEEDHN CN(C)S(=O)(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000449470809 405575645 /nfs/dbraw/zinc/57/56/45/405575645.db2.gz KWRDSBSHQDUHKS-HIFRSBDPSA-N 0 3 321.446 2.109 20 30 DEEDHN CN(C)S(=O)(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000449470808 405576464 /nfs/dbraw/zinc/57/64/64/405576464.db2.gz KWRDSBSHQDUHKS-DZGCQCFKSA-N 0 3 321.446 2.109 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)CC1(C#N)CC1 ZINC000528376639 405582751 /nfs/dbraw/zinc/58/27/51/405582751.db2.gz CBDGDJULUHNJTQ-AEFFLSMTSA-N 0 3 313.445 2.247 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCCS(=O)(=O)c1ccccc1 ZINC000580185277 405602370 /nfs/dbraw/zinc/60/23/70/405602370.db2.gz DNOHQKMZDCFDJA-GOEBONIOSA-N 0 3 309.431 2.031 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)NC(C)(C)CN2CCCC2)c1 ZINC000457072001 405679541 /nfs/dbraw/zinc/67/95/41/405679541.db2.gz JGKFARSOHFJTHN-UHFFFAOYSA-N 0 3 314.433 2.228 20 30 DEEDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000494270366 405672472 /nfs/dbraw/zinc/67/24/72/405672472.db2.gz HARVPTHKBRXXAH-DAYGRLMNSA-N 0 3 315.417 2.479 20 30 DEEDHN C=C(C)CCNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000459003790 405687517 /nfs/dbraw/zinc/68/75/17/405687517.db2.gz PCBHGFYLLRHVLY-UHFFFAOYSA-N 0 3 310.486 2.012 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000457086604 405688227 /nfs/dbraw/zinc/68/82/27/405688227.db2.gz IWQPNMUVUZTXNK-MRXNPFEDSA-N 0 3 314.433 2.179 20 30 DEEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1CCN[C@H]1C(=O)OCC ZINC000423176180 405712569 /nfs/dbraw/zinc/71/25/69/405712569.db2.gz FOJKJXYQOYEVRA-IXDOHACOSA-N 0 3 302.418 2.057 20 30 DEEDHN CCO[C@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)C12CCC2 ZINC000584113936 405827732 /nfs/dbraw/zinc/82/77/32/405827732.db2.gz QEIKQXDSNMAYCI-GJZGRUSLSA-N 0 3 311.389 2.038 20 30 DEEDHN N#Cc1cnc(N[C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000450320647 405831691 /nfs/dbraw/zinc/83/16/91/405831691.db2.gz WNSOXQCRRCFPBA-GFCCVEGCSA-N 0 3 301.350 2.290 20 30 DEEDHN CN(CCOc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1 ZINC000433041871 405857110 /nfs/dbraw/zinc/85/71/10/405857110.db2.gz WGIOMPLHLREWRO-SFHVURJKSA-N 0 3 310.397 2.472 20 30 DEEDHN CC(C#N)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000495302392 405869430 /nfs/dbraw/zinc/86/94/30/405869430.db2.gz PYOZYEIRGPZCMI-LRDDRELGSA-N 0 3 309.410 2.299 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H]2CCN(CCOCCC#N)C[C@H]2C1 ZINC000495594451 405925508 /nfs/dbraw/zinc/92/55/08/405925508.db2.gz 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/nfs/dbraw/zinc/96/04/58/424960458.db2.gz LVQHLGQUDDTMJW-INIZCTEOSA-N 0 3 306.450 2.492 20 30 DEEDHN COc1ccccc1[C@@H](CNc1cc(C#N)cnn1)N1CCCC1 ZINC000596053808 425017026 /nfs/dbraw/zinc/01/70/26/425017026.db2.gz INWVKJMFGVCOSY-MRXNPFEDSA-N 0 3 323.400 2.606 20 30 DEEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)COCC2)c1ccccc1 ZINC000450213196 425064976 /nfs/dbraw/zinc/06/49/76/425064976.db2.gz FBZICZXZAMHAKX-GOSISDBHSA-N 0 3 322.412 2.741 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@H](C)CO)CC2)CC1 ZINC000650852313 425066560 /nfs/dbraw/zinc/06/65/60/425066560.db2.gz ZAJWNESZAWFHEO-OAHLLOKOSA-N 0 3 323.481 2.077 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)[C@H](C)COC ZINC000663627466 425200968 /nfs/dbraw/zinc/20/09/68/425200968.db2.gz IPGIOQNBDFBWGB-OWCLPIDISA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCCN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O ZINC000656828653 425203869 /nfs/dbraw/zinc/20/38/69/425203869.db2.gz BKMFEEPUMRPZTA-UHFFFAOYSA-N 0 3 313.401 2.149 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1=O ZINC000656689931 425159804 /nfs/dbraw/zinc/15/98/04/425159804.db2.gz XEGIEFZMWBXKOH-RRFJBIMHSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000660823877 425245932 /nfs/dbraw/zinc/24/59/32/425245932.db2.gz ILCQNUXQBOVQPY-GDBMZVCRSA-N 0 3 311.495 2.421 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CCO)CC1 ZINC000664015006 425289888 /nfs/dbraw/zinc/28/98/88/425289888.db2.gz CRADRZKFAHAQQM-NVXWUHKLSA-N 0 3 323.481 2.219 20 30 DEEDHN C=CCC1(NC(=O)NC[C@H]2CCCN2CCOC)CCCC1 ZINC000664065657 425300684 /nfs/dbraw/zinc/30/06/84/425300684.db2.gz LSDGKHFFUPUPJV-OAHLLOKOSA-N 0 3 309.454 2.285 20 30 DEEDHN CC[C@@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516563245 267201321 /nfs/dbraw/zinc/20/13/21/267201321.db2.gz AFHCFLQFCCHJTL-HUUCEWRRSA-N 0 3 321.446 2.143 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000661378500 425394095 /nfs/dbraw/zinc/39/40/95/425394095.db2.gz HPMNMTZLMXRNQJ-BRWVUGGUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN(C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@H](C)COC ZINC000664783857 425454357 /nfs/dbraw/zinc/45/43/57/425454357.db2.gz JFTQZBYZMWOPTQ-HUUCEWRRSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000659094965 425527573 /nfs/dbraw/zinc/52/75/73/425527573.db2.gz UNTJPDHVXUUSIN-AWEZNQCLSA-N 0 3 315.417 2.159 20 30 DEEDHN C=C[C@H](CO)NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000662166612 425580494 /nfs/dbraw/zinc/58/04/94/425580494.db2.gz AHXRTKDKMWSTHN-LLVKDONJSA-N 0 3 302.296 2.171 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659373699 425588414 /nfs/dbraw/zinc/58/84/14/425588414.db2.gz UZJLPIUVWGJWIG-XJKSGUPXSA-N 0 3 304.390 2.267 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000665871115 425660933 /nfs/dbraw/zinc/66/09/33/425660933.db2.gz QHIFOSIACVTHIR-AEFFLSMTSA-N 0 3 320.433 2.131 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](CC)NC)cc1 ZINC000662515704 425671678 /nfs/dbraw/zinc/67/16/78/425671678.db2.gz SLETUGROBNAWRZ-MRXNPFEDSA-N 0 3 315.417 2.437 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCNC2(CCCCC2)C1 ZINC000656364875 425759508 /nfs/dbraw/zinc/75/95/08/425759508.db2.gz XMJFQOCQYHYCQU-UHFFFAOYSA-N 0 3 315.417 2.395 20 30 DEEDHN CC[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCCO1 ZINC000333167903 268897006 /nfs/dbraw/zinc/89/70/06/268897006.db2.gz PDVUOKJDNJTQDH-BFHYXJOUSA-N 0 3 319.430 2.272 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(C#N)cn2)C1 ZINC000496477601 269222286 /nfs/dbraw/zinc/22/22/86/269222286.db2.gz HYWUXXCVWKOKSC-HIFRSBDPSA-N 0 3 316.405 2.300 20 30 DEEDHN CS[C@H]1CN(c2ncc(Cl)c(C)c2C#N)C[C@@H]1N(C)C ZINC000273404047 274187574 /nfs/dbraw/zinc/18/75/74/274187574.db2.gz WRXXUWWQWHZEEY-STQMWFEESA-N 0 3 310.854 2.397 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000288221551 274387084 /nfs/dbraw/zinc/38/70/84/274387084.db2.gz DUIOOBAFUGKUPV-IUODEOHRSA-N 0 3 301.365 2.396 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000451673017 275436949 /nfs/dbraw/zinc/43/69/49/275436949.db2.gz JQJLHTMEMMFLCP-KGLIPLIRSA-N 0 3 303.362 2.030 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCC#Cc2ccc(F)cc2)C1(C)C ZINC000190001349 276356229 /nfs/dbraw/zinc/35/62/29/276356229.db2.gz ZWEGIQVACOFSST-SJLPKXTDSA-N 0 3 305.393 2.333 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)NCC#Cc3ccccc3)C2)C1 ZINC000297655040 277085607 /nfs/dbraw/zinc/08/56/07/277085607.db2.gz UPGDVQQGEWGONF-IBGZPJMESA-N 0 3 311.429 2.165 20 30 DEEDHN C#CCSCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287433778 277696242 /nfs/dbraw/zinc/69/62/42/277696242.db2.gz MEWNTBUITJYZTL-HOCLYGCPSA-N 0 3 319.474 2.343 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000278310076 277807074 /nfs/dbraw/zinc/80/70/74/277807074.db2.gz SJVNOIQXIPHISC-BRWVUGGUSA-N 0 3 302.418 2.387 20 30 DEEDHN COc1cnccc1N1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000360240344 278076607 /nfs/dbraw/zinc/07/66/07/278076607.db2.gz FXJICAAHPBWFIN-UHFFFAOYSA-N 0 3 319.368 2.160 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(C#N)ccc2C)C[C@H]1N(C)C ZINC000272599278 278164408 /nfs/dbraw/zinc/16/44/08/278164408.db2.gz PGWCBOGVNYETQZ-CABCVRRESA-N 0 3 318.446 2.376 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCOc3ccccc32)[C@H]1C ZINC001088923874 782051097 /nfs/dbraw/zinc/05/10/97/782051097.db2.gz XKUHBMGARZDNJG-BMFZPTHFSA-N 0 3 300.402 2.318 20 30 DEEDHN C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416729756 278275844 /nfs/dbraw/zinc/27/58/44/278275844.db2.gz QUCAZHJRJSILCH-BLLLJJGKSA-N 0 3 300.406 2.185 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)[C@H](N)CCCC#N)C12CCCCC2 ZINC000424120886 279859917 /nfs/dbraw/zinc/85/99/17/279859917.db2.gz HMARKEVXGUOJNP-QLFBSQMISA-N 0 3 307.438 2.252 20 30 DEEDHN Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000048334471 281461142 /nfs/dbraw/zinc/46/11/42/281461142.db2.gz YAGUBJXWGZSPTH-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000299563509 298365218 /nfs/dbraw/zinc/36/52/18/298365218.db2.gz GURXAVIKGDZWFM-OLZOCXBDSA-N 0 3 309.435 2.280 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000331409851 300890064 /nfs/dbraw/zinc/89/00/64/300890064.db2.gz JANAJRCXNNHNAW-HNNXBMFYSA-N 0 3 300.406 2.285 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NC1CCC2(CCOCC2)CC1 ZINC001349833843 1151295199 /nfs/dbraw/zinc/29/51/99/1151295199.db2.gz MFPDGGKHTURIRM-OAHLLOKOSA-N 0 3 307.438 2.253 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC1CCC2(CCOCC2)CC1 ZINC001349833840 1151295442 /nfs/dbraw/zinc/29/54/42/1151295442.db2.gz MFPDGGKHTURIRM-HNNXBMFYSA-N 0 3 307.438 2.253 20 30 DEEDHN N#Cc1ncc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1Cl ZINC000573419194 326054158 /nfs/dbraw/zinc/05/41/58/326054158.db2.gz CUWKMZOWEUEQDG-LBPRGKRZSA-N 0 3 319.796 2.309 20 30 DEEDHN COC(=O)c1ccc(NCCN(C)Cc2ccccc2)c(C#N)n1 ZINC000574651779 326175536 /nfs/dbraw/zinc/17/55/36/326175536.db2.gz QZWVDWSUAZLIAP-UHFFFAOYSA-N 0 3 324.384 2.284 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc(C#N)n1 ZINC000575866127 326251997 /nfs/dbraw/zinc/25/19/97/326251997.db2.gz GSSZEXBAGTVHOY-ZDUSSCGKSA-N 0 3 301.394 2.195 20 30 DEEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ncncc2C#N)CC1 ZINC000577367988 326361041 /nfs/dbraw/zinc/36/10/41/326361041.db2.gz GZGONDKZCAJDFY-AWEZNQCLSA-N 0 3 307.401 2.408 20 30 DEEDHN C[C@@]1(NC(=O)NCC2(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000564662353 332264538 /nfs/dbraw/zinc/26/45/38/332264538.db2.gz XAZARWULPSTOJV-QGZVFWFLSA-N 0 3 312.417 2.254 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)CC1 ZINC000245633693 332497683 /nfs/dbraw/zinc/49/76/83/332497683.db2.gz WEGJNQYIAVJRGE-DJIMGWMZSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000491772115 333199684 /nfs/dbraw/zinc/19/96/84/333199684.db2.gz QBJLAHLAKDQWOD-UHFFFAOYSA-N 0 3 317.820 2.435 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CCCC[C@H]1O ZINC000389308033 336022823 /nfs/dbraw/zinc/02/28/23/336022823.db2.gz FPJVZOQDJNFEBX-DAXOMENPSA-N 0 3 301.390 2.121 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)[C@H]1C ZINC001088991470 782103246 /nfs/dbraw/zinc/10/32/46/782103246.db2.gz BJNHTFNLRASETH-JLSDUUJJSA-N 0 3 314.429 2.456 20 30 DEEDHN C#CCN(C(=O)NC1CCN(CCCOC)CC1)C1CCCC1 ZINC000120102650 337868883 /nfs/dbraw/zinc/86/88/83/337868883.db2.gz CXDVNZNXCCZHEQ-UHFFFAOYSA-N 0 3 321.465 2.075 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000496097844 339998269 /nfs/dbraw/zinc/99/82/69/339998269.db2.gz AQVUFSBSMMPGTH-CYBMUJFWSA-N 0 3 306.410 2.419 20 30 DEEDHN CCn1nccc1C1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528484583 340720925 /nfs/dbraw/zinc/72/09/25/340720925.db2.gz JZECWSQEAJLKJN-HNNXBMFYSA-N 0 3 302.422 2.137 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000248869313 341388988 /nfs/dbraw/zinc/38/89/88/341388988.db2.gz ZMGPCWWHYCMVHC-WTTBNOFXSA-N 0 3 323.481 2.424 20 30 DEEDHN Cc1ccc(CNC[C@@H](O)CN(C)CCC#N)c(OC(C)C)c1 ZINC000566111768 341548034 /nfs/dbraw/zinc/54/80/34/341548034.db2.gz GUEJIJZFJMXVIY-QGZVFWFLSA-N 0 3 319.449 2.078 20 30 DEEDHN C=CCCCCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000567288728 341593462 /nfs/dbraw/zinc/59/34/62/341593462.db2.gz XDAQYJJUIFQMOZ-MRXNPFEDSA-N 0 3 311.470 2.125 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001376709374 1159712267 /nfs/dbraw/zinc/71/22/67/1159712267.db2.gz ZGUZFEHONGWPKS-BXUZGUMPSA-N 0 3 303.431 2.404 20 30 DEEDHN CC[C@H](CNC(=O)c1cccn1C)NCc1ccc(C#N)s1 ZINC001378225097 1152234871 /nfs/dbraw/zinc/23/48/71/1152234871.db2.gz INCIWTILGQFOJC-GFCCVEGCSA-N 0 3 316.430 2.256 20 30 DEEDHN CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1ccccc1F ZINC001378230596 1152237181 /nfs/dbraw/zinc/23/71/81/1152237181.db2.gz IOSZWHCPUKODOJ-CQSZACIVSA-N 0 3 314.364 2.324 20 30 DEEDHN C=C[C@H](COC)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC001329802235 1148997554 /nfs/dbraw/zinc/99/75/54/1148997554.db2.gz ZTSKOFXKFHSSIJ-MRXNPFEDSA-N 0 3 301.390 2.231 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001357301763 1152283926 /nfs/dbraw/zinc/28/39/26/1152283926.db2.gz FHHHJUDKMIYGPR-IAGOWNOFSA-N 0 3 322.497 2.010 20 30 DEEDHN CCCC[C@@H](CNCc1cncs1)NC(=O)C#CC1CC1 ZINC001329875062 1149007816 /nfs/dbraw/zinc/00/78/16/1149007816.db2.gz DPOSPEWLDNBDFQ-AWEZNQCLSA-N 0 3 305.447 2.321 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001378546828 1152371087 /nfs/dbraw/zinc/37/10/87/1152371087.db2.gz ISGRTDMEUFZEOA-ZDUSSCGKSA-N 0 3 310.401 2.351 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)CN2CCCC2)C1 ZINC001398794694 1161105227 /nfs/dbraw/zinc/10/52/27/1161105227.db2.gz PRXOMXNBKKEKIE-CABCVRRESA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)[C@H]1C ZINC001089063474 782143432 /nfs/dbraw/zinc/14/34/32/782143432.db2.gz FDOBIMRIMOUTIL-YPMHNXCESA-N 0 3 321.446 2.006 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)[C@H]1C ZINC001089069949 782147647 /nfs/dbraw/zinc/14/76/47/782147647.db2.gz HIJIMFZMRSBZEQ-BPAFIMBUSA-N 0 3 310.441 2.493 20 30 DEEDHN Cc1ncccc1CN1CCC([C@H](C)NC(=O)[C@H](C)C#N)CC1 ZINC001369566414 1149042530 /nfs/dbraw/zinc/04/25/30/1149042530.db2.gz FZFIFPALYXSJJY-HIFRSBDPSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)COC(C)C)C2)C1 ZINC001330147717 1149053610 /nfs/dbraw/zinc/05/36/10/1149053610.db2.gz KXNPIINGOVNPPC-FUHWJXTLSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCCn2ccnc2)CCCC1 ZINC001378721235 1152423756 /nfs/dbraw/zinc/42/37/56/1152423756.db2.gz XRQGQIPOHSVYEK-UHFFFAOYSA-N 0 3 324.856 2.434 20 30 DEEDHN COc1cc(CN2CCC[C@H](CCC(N)=O)C2)ccc1C#N ZINC000442873991 533806774 /nfs/dbraw/zinc/80/67/74/533806774.db2.gz AMANGCZZXVNYMW-CYBMUJFWSA-N 0 3 301.390 2.044 20 30 DEEDHN C=C(Cl)CN[C@@H](CC)CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001400822147 1161828671 /nfs/dbraw/zinc/82/86/71/1161828671.db2.gz FQASROGDBAGZEH-ZDUSSCGKSA-N 0 3 312.845 2.164 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3ccc(CCCC)cc3)[C@@H]2C1 ZINC001330309628 1149089741 /nfs/dbraw/zinc/08/97/41/1149089741.db2.gz OCPGYCMYQKAQHF-OWZKRDHZSA-N 0 3 324.468 2.499 20 30 DEEDHN C[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)N1CCC(C)CC1 ZINC000428008766 534051722 /nfs/dbraw/zinc/05/17/22/534051722.db2.gz FRXBCZZXBMZNJV-LBPRGKRZSA-N 0 3 320.824 2.457 20 30 DEEDHN C[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)N1CCC[C@@H](C)C1 ZINC000427924064 534051893 /nfs/dbraw/zinc/05/18/93/534051893.db2.gz NKSOLBTYQKHTMQ-NEPJUHHUSA-N 0 3 320.824 2.457 20 30 DEEDHN C[C@H](NC(=O)NCc1cc(C#N)ccc1F)C1=CCN(C)CC1 ZINC000330758261 534188595 /nfs/dbraw/zinc/18/85/95/534188595.db2.gz FJCZQRKOWGSKHB-LBPRGKRZSA-N 0 3 316.380 2.351 20 30 DEEDHN CC(C)N(CCCS(=O)(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000336858919 519645113 /nfs/dbraw/zinc/64/51/13/519645113.db2.gz CTGRSHJCJHOHSW-UHFFFAOYSA-N 0 3 323.462 2.050 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000453416293 534451415 /nfs/dbraw/zinc/45/14/15/534451415.db2.gz VXTFYIMYGWYQTB-RBSFLKMASA-N 0 3 319.453 2.235 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCCOC1CCCCC1 ZINC000451678934 534572118 /nfs/dbraw/zinc/57/21/18/534572118.db2.gz XWINGBDMXNXAHO-SJORKVTESA-N 0 3 324.465 2.165 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1ccc(CC)s1 ZINC000451671222 534572396 /nfs/dbraw/zinc/57/23/96/534572396.db2.gz FMSIIHMEJSKLAW-CABCVRRESA-N 0 3 308.447 2.250 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCCc1ccccc1 ZINC000451676682 534572485 /nfs/dbraw/zinc/57/24/85/534572485.db2.gz FSMKJDQFICRYFI-SJORKVTESA-N 0 3 302.418 2.059 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000453352644 534610735 /nfs/dbraw/zinc/61/07/35/534610735.db2.gz JYRPNWORIUHEDH-VHSSKADRSA-N 0 3 302.418 2.359 20 30 DEEDHN N#CCCOCCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000339168569 534649798 /nfs/dbraw/zinc/64/97/98/534649798.db2.gz GAOMMAAKUAHNAJ-UHFFFAOYSA-N 0 3 311.389 2.162 20 30 DEEDHN N#Cc1cnn(C(=O)c2ccc(CN3CCCCC3)cc2)c1N ZINC000299430939 534828096 /nfs/dbraw/zinc/82/80/96/534828096.db2.gz IJXOMLIZVZZICF-UHFFFAOYSA-N 0 3 309.373 2.011 20 30 DEEDHN C=CCN(CCOC)CCC(=O)N1CCc2sccc2C1 ZINC000191145354 526301026 /nfs/dbraw/zinc/30/10/26/526301026.db2.gz PLKKHWLQPLRQJW-UHFFFAOYSA-N 0 3 308.447 2.157 20 30 DEEDHN CC#CCN(C)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000294523558 526357187 /nfs/dbraw/zinc/35/71/87/526357187.db2.gz LCZFJNBQKXRCPQ-UHFFFAOYSA-N 0 3 324.428 2.207 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000330627966 526413971 /nfs/dbraw/zinc/41/39/71/526413971.db2.gz KWTUTUQDSDXMKK-CVEARBPZSA-N 0 3 309.454 2.344 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOc2cccc(OC)c2)CC1 ZINC000294426460 526419827 /nfs/dbraw/zinc/41/98/27/526419827.db2.gz ACNSZSHPCUNFIG-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCN1CCC(NC(=O)CSCc2c(C)noc2C)CC1 ZINC000171727826 526422541 /nfs/dbraw/zinc/42/25/41/526422541.db2.gz NVYXDVKRQPGCAF-UHFFFAOYSA-N 0 3 323.462 2.291 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000292612751 526423241 /nfs/dbraw/zinc/42/32/41/526423241.db2.gz BLKOIAICSHGRGK-UHFFFAOYSA-N 0 3 318.465 2.390 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000413236555 526437770 /nfs/dbraw/zinc/43/77/70/526437770.db2.gz KCTAFYJIZZTSGZ-SUMWQHHRSA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](OC)CC2)CC1 ZINC000373287992 526584864 /nfs/dbraw/zinc/58/48/64/526584864.db2.gz XNAGTQCYGGZYSM-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN N#Cc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000365661447 526624439 /nfs/dbraw/zinc/62/44/39/526624439.db2.gz KCLSRXCQMNBRBD-IRXDYDNUSA-N 0 3 300.402 2.358 20 30 DEEDHN N#Cc1cccc(CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000338222066 526703654 /nfs/dbraw/zinc/70/36/54/526703654.db2.gz SEXVOJSGAPSIDZ-UHFFFAOYSA-N 0 3 313.445 2.493 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000294525240 526740973 /nfs/dbraw/zinc/74/09/73/526740973.db2.gz ILNXNLRDFLJKCR-CQSZACIVSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCN(C)CCCNc1ccc(C(=O)Nc2ccccc2)nn1 ZINC000292840375 526829589 /nfs/dbraw/zinc/82/95/89/526829589.db2.gz QMVRUPFMTZYJCX-UHFFFAOYSA-N 0 3 323.400 2.096 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000438455069 526830592 /nfs/dbraw/zinc/83/05/92/526830592.db2.gz LUJIDKKGYBGIIN-NVXWUHKLSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCOc1cccc(CN2CCNC[C@H]2c2nccn2C)c1 ZINC000262131696 526899719 /nfs/dbraw/zinc/89/97/19/526899719.db2.gz YEXHOWHBTVBUNB-KRWDZBQOSA-N 0 3 312.417 2.131 20 30 DEEDHN C=CCOc1cccc(CN[C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000374247702 526904732 /nfs/dbraw/zinc/90/47/32/526904732.db2.gz NXZWPLGJEVACOE-INIZCTEOSA-N 0 3 312.417 2.353 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(NCCC)cc2)CC1 ZINC000193032228 526925742 /nfs/dbraw/zinc/92/57/42/526925742.db2.gz WJMSKSOUDRKORY-UHFFFAOYSA-N 0 3 313.445 2.470 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417587234 526939489 /nfs/dbraw/zinc/93/94/89/526939489.db2.gz BNLOIBGMYZLLOA-UONOGXRCSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000295745345 526946930 /nfs/dbraw/zinc/94/69/30/526946930.db2.gz YVSWAHZDINKJLO-KRWDZBQOSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCCN1CC ZINC000341548664 526961993 /nfs/dbraw/zinc/96/19/93/526961993.db2.gz PKCWYVZSFBZPNC-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C#Cc1cccc(NC(=O)CN(C)CC2CCC(O)CC2)c1 ZINC001327498706 1148569982 /nfs/dbraw/zinc/56/99/82/1148569982.db2.gz JIYGCTXGINGTOG-UHFFFAOYSA-N 0 3 300.402 2.089 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000341434588 527040391 /nfs/dbraw/zinc/04/03/91/527040391.db2.gz KEEIQSHWZKRDJE-HZPDHXFCSA-N 0 3 322.497 2.151 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188128828 527066366 /nfs/dbraw/zinc/06/63/66/527066366.db2.gz KUVBCHLVKZYEQB-SFHVURJKSA-N 0 3 302.418 2.048 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000411029070 527116321 /nfs/dbraw/zinc/11/63/21/527116321.db2.gz PTYHOODMWILLNH-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368072752 527196821 /nfs/dbraw/zinc/19/68/21/527196821.db2.gz CQQLGYVLTZDPET-HNNXBMFYSA-N 0 3 300.468 2.279 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000297618662 527223399 /nfs/dbraw/zinc/22/33/99/527223399.db2.gz XJTCTKLTXXEZFZ-DOMZBBRYSA-N 0 3 305.447 2.332 20 30 DEEDHN C=CCCCS(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000292494666 527241518 /nfs/dbraw/zinc/24/15/18/527241518.db2.gz GLTQJTBLMYXHTA-UHFFFAOYSA-N 0 3 323.462 2.184 20 30 DEEDHN C=CCCN(C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000341652103 527311717 /nfs/dbraw/zinc/31/17/17/527311717.db2.gz QKBZFUYGQONGBC-UHFFFAOYSA-N 0 3 305.426 2.498 20 30 DEEDHN CC(C)(O)CN1CCc2c(cccc2Nc2ccc(C#N)nn2)C1 ZINC000302159423 527347062 /nfs/dbraw/zinc/34/70/62/527347062.db2.gz NOTTVLMZBVPZLT-UHFFFAOYSA-N 0 3 323.400 2.221 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000374246727 527393436 /nfs/dbraw/zinc/39/34/36/527393436.db2.gz AOAIOMPRGKPJJX-ROUUACIJSA-N 0 3 313.445 2.466 20 30 DEEDHN C=CCN(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000417690992 527567070 /nfs/dbraw/zinc/56/70/70/527567070.db2.gz WDIJXMCLQJKIOX-UHFFFAOYSA-N 0 3 307.394 2.285 20 30 DEEDHN CC(C)NS(=O)(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442711481 527760069 /nfs/dbraw/zinc/76/00/69/527760069.db2.gz DWFLANLBMMFFGD-HIFRSBDPSA-N 0 3 321.446 2.155 20 30 DEEDHN CC(C)OC(=O)[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433375344 527835664 /nfs/dbraw/zinc/83/56/64/527835664.db2.gz PELOSVLDWWVUBK-HOCLYGCPSA-N 0 3 316.401 2.463 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000338728638 529008089 /nfs/dbraw/zinc/00/80/89/529008089.db2.gz QKNFFXNWNBUFOD-UHFFFAOYSA-N 0 3 317.408 2.303 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CN(C)C ZINC000346156540 535163590 /nfs/dbraw/zinc/16/35/90/535163590.db2.gz AZRPMXSLOCRYPN-CJNGLKHVSA-N 0 3 303.406 2.028 20 30 DEEDHN CCOC[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356788682 535692012 /nfs/dbraw/zinc/69/20/12/535692012.db2.gz QOUSYEOKMATRSD-BBRMVZONSA-N 0 3 301.390 2.068 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451602632 536645917 /nfs/dbraw/zinc/64/59/17/536645917.db2.gz IZVXACHBFBUMON-SJLPKXTDSA-N 0 3 300.402 2.454 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](OC)[C@H](C)C1 ZINC000451542339 536882936 /nfs/dbraw/zinc/88/29/36/536882936.db2.gz JLCMZTNUFCSKIM-UKRRQHHQSA-N 0 3 304.390 2.302 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001327523369 1148576151 /nfs/dbraw/zinc/57/61/51/1148576151.db2.gz AZVRHUOUGXRHIH-RLXIPRIJSA-N 0 3 324.852 2.093 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)CC(C)(C)C)CC1 ZINC001368689537 1148579424 /nfs/dbraw/zinc/57/94/24/1148579424.db2.gz WKESUJWWYIMXRO-UHFFFAOYSA-N 0 3 302.846 2.118 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000835065691 649874442 /nfs/dbraw/zinc/87/44/42/649874442.db2.gz RJBXOTSPPGWWSE-KGLIPLIRSA-N 0 3 304.346 2.158 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001368722452 1148615736 /nfs/dbraw/zinc/61/57/36/1148615736.db2.gz ZPVBSPGJDHIQCF-AAEUAGOBSA-N 0 3 324.856 2.316 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001368741386 1148630759 /nfs/dbraw/zinc/63/07/59/1148630759.db2.gz SETXYAMACPVBMS-NSHDSACASA-N 0 3 311.813 2.200 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccc(OC)nc2)[C@@H](C)C1 ZINC001327869753 1148663476 /nfs/dbraw/zinc/66/34/76/1148663476.db2.gz YKVUJKSTTADKHT-HOCLYGCPSA-N 0 3 317.433 2.383 20 30 DEEDHN CN1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@H]21 ZINC000830941421 604496822 /nfs/dbraw/zinc/49/68/22/604496822.db2.gz ZGNACGSUKRSUED-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@H]21 ZINC000830941421 604496826 /nfs/dbraw/zinc/49/68/26/604496826.db2.gz ZGNACGSUKRSUED-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@H]21 ZINC000830941421 604496828 /nfs/dbraw/zinc/49/68/28/604496828.db2.gz ZGNACGSUKRSUED-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@H]21 ZINC000830941421 604496830 /nfs/dbraw/zinc/49/68/30/604496830.db2.gz ZGNACGSUKRSUED-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001379654613 1152665629 /nfs/dbraw/zinc/66/56/29/1152665629.db2.gz JNAXSVVFQLPOQZ-UONOGXRCSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381291442 1152988481 /nfs/dbraw/zinc/98/84/81/1152988481.db2.gz HBFGXFJOBHSDDQ-CQSZACIVSA-N 0 3 313.873 2.146 20 30 DEEDHN CC1(C)OC[C@@H](CCN2CCc3c(C#N)c(N)sc3C2)O1 ZINC001363338389 1153344077 /nfs/dbraw/zinc/34/40/77/1153344077.db2.gz ZCTWIGCIEHJXIH-SNVBAGLBSA-N 0 3 307.419 2.102 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001025224713 625281701 /nfs/dbraw/zinc/28/17/01/625281701.db2.gz UMJGHUJQXLZKGM-JKSUJKDBSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1(O)CCC1 ZINC001025232211 625291382 /nfs/dbraw/zinc/29/13/82/625291382.db2.gz LFPWDRFJJJYPCZ-SJORKVTESA-N 0 3 318.461 2.160 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](CNC(=O)c3cnco3)C2)cc1 ZINC001023517003 625307039 /nfs/dbraw/zinc/30/70/39/625307039.db2.gz ZOEKJJKAPGCNTC-MRXNPFEDSA-N 0 3 324.384 2.188 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001023526981 625310111 /nfs/dbraw/zinc/31/01/11/625310111.db2.gz NLGSWZHOTOWCJI-ZDUSSCGKSA-N 0 3 306.431 2.222 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(F)ccc(F)c2OC)C1 ZINC001023528435 625310686 /nfs/dbraw/zinc/31/06/86/625310686.db2.gz LTOSBZLHUFRZNN-GFCCVEGCSA-N 0 3 322.355 2.048 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001025273549 625321029 /nfs/dbraw/zinc/32/10/29/625321029.db2.gz QFDHGZRODHOKGF-HZPDHXFCSA-N 0 3 300.406 2.122 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2nccc3ccccc32)C1 ZINC001023561669 625325737 /nfs/dbraw/zinc/32/57/37/625325737.db2.gz DXQNIXFNHAJIQK-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C#C)nc1 ZINC001025293185 625328104 /nfs/dbraw/zinc/32/81/04/625328104.db2.gz PQSKDDVEAZUXTK-RTBURBONSA-N 0 3 321.424 2.155 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc3c2OCC3)C1 ZINC001023611854 625348604 /nfs/dbraw/zinc/34/86/04/625348604.db2.gz XAOQCIUCVZWTAY-OAHLLOKOSA-N 0 3 312.413 2.087 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(OC)c2C)C1 ZINC001023619513 625354121 /nfs/dbraw/zinc/35/41/21/625354121.db2.gz JQBWKSOKNDOGDA-MRXNPFEDSA-N 0 3 314.429 2.469 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001023680138 625386307 /nfs/dbraw/zinc/38/63/07/625386307.db2.gz SHLFEKBVCRGSEJ-OAHLLOKOSA-N 0 3 323.396 2.417 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(Cl)cn2)C1 ZINC001023712641 625398276 /nfs/dbraw/zinc/39/82/76/625398276.db2.gz NXMJYYZHBASUMJ-CYBMUJFWSA-N 0 3 305.809 2.200 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccnn2CC(C)C)C1 ZINC001025430137 625427198 /nfs/dbraw/zinc/42/71/98/625427198.db2.gz BUSNNTZFIAURJA-HZPDHXFCSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001023764316 625428335 /nfs/dbraw/zinc/42/83/35/625428335.db2.gz 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C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCc2ccc(C)o2)C1 ZINC001021738651 624022983 /nfs/dbraw/zinc/02/29/83/624022983.db2.gz CHMLDUFXGLOBOA-AEFFLSMTSA-N 0 3 314.429 2.467 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCc2c(F)cccc2F)C1 ZINC000971212272 624071368 /nfs/dbraw/zinc/07/13/68/624071368.db2.gz XZCPSONZCXCEOK-QWHCGFSZSA-N 0 3 321.371 2.200 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001021794752 624085613 /nfs/dbraw/zinc/08/56/13/624085613.db2.gz KNIIAVGVJYBALZ-BSLXNSKLSA-N 0 3 301.365 2.090 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncc(OC)c2C)C[C@H]1C ZINC000947446265 624139847 /nfs/dbraw/zinc/13/98/47/624139847.db2.gz SUKQYAYGZOPESM-TZMCWYRMSA-N 0 3 303.406 2.167 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001021976658 624151218 /nfs/dbraw/zinc/15/12/18/624151218.db2.gz JQQAFOCNIYDIME-QLFBSQMISA-N 0 3 315.392 2.480 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000971501493 624175748 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C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC000971939544 624723817 /nfs/dbraw/zinc/72/38/17/624723817.db2.gz JAEIGPFEQBJJIV-CVEARBPZSA-N 0 3 318.392 2.238 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001027664994 634407362 /nfs/dbraw/zinc/40/73/62/634407362.db2.gz KEGJGUXMZSOSID-AEFFLSMTSA-N 0 3 312.413 2.204 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2OCc3ccccc32)C1 ZINC001027664995 634407420 /nfs/dbraw/zinc/40/74/20/634407420.db2.gz KEGJGUXMZSOSID-FUHWJXTLSA-N 0 3 312.413 2.204 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC000972042461 624790851 /nfs/dbraw/zinc/79/08/51/624790851.db2.gz LRHRSGBHYFXCPJ-LBPRGKRZSA-N 0 3 301.346 2.267 20 30 DEEDHN C=CCc1cc(CNc2ccncc2CO)cc(OC)c1OC ZINC000892150480 624798209 /nfs/dbraw/zinc/79/82/09/624798209.db2.gz DUSULQZBBANJHJ-UHFFFAOYSA-N 0 3 314.385 2.354 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCn2nc(C)cc2C)C1 ZINC000972079893 624824730 /nfs/dbraw/zinc/82/47/30/624824730.db2.gz QEQWZTRPQQNUNH-MRXNPFEDSA-N 0 3 318.465 2.245 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2c(C)noc2C)C1 ZINC000972143190 624867297 /nfs/dbraw/zinc/86/72/97/624867297.db2.gz FRMUYOSUDUMOCZ-CQSZACIVSA-N 0 3 305.422 2.288 20 30 DEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051651268 624879110 /nfs/dbraw/zinc/87/91/10/624879110.db2.gz MQFBGXPNOXLRMS-INIZCTEOSA-N 0 3 314.385 2.395 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COc2cccc(Cl)c2)C1 ZINC001027674222 634424099 /nfs/dbraw/zinc/42/40/99/634424099.db2.gz RVHIUPUGRDRUBP-OAHLLOKOSA-N 0 3 320.820 2.275 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001024751621 625035620 /nfs/dbraw/zinc/03/56/20/625035620.db2.gz ITACTSAXEUNZET-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001024756644 625039540 /nfs/dbraw/zinc/03/95/40/625039540.db2.gz TZJIOKZURWKPSF-GOEBONIOSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001024761457 625041285 /nfs/dbraw/zinc/04/12/85/625041285.db2.gz GTXASDWURSGSNL-OAHLLOKOSA-N 0 3 316.449 2.308 20 30 DEEDHN C#CCOCCN1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000934661155 625047903 /nfs/dbraw/zinc/04/79/03/625047903.db2.gz OIHTUJBSPQIJRH-WMLDXEAASA-N 0 3 308.422 2.015 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)n(CC)c2C)C[C@H]1C ZINC000947515419 625054982 /nfs/dbraw/zinc/05/49/82/625054982.db2.gz IKACUWVXKZQIIT-CJNGLKHVSA-N 0 3 301.434 2.341 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000972398237 625055454 /nfs/dbraw/zinc/05/54/54/625055454.db2.gz YBYBOZFHIOKEEE-LBPRGKRZSA-N 0 3 316.430 2.471 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC000972446532 625086998 /nfs/dbraw/zinc/08/69/98/625086998.db2.gz NAXBSXOAHYICTA-MRXNPFEDSA-N 0 3 314.429 2.446 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2csc(C3CC3)n2)C1 ZINC000972488956 625123983 /nfs/dbraw/zinc/12/39/83/625123983.db2.gz FGMOEEWBQDZVFF-AWEZNQCLSA-N 0 3 305.447 2.282 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(SC)ncn2)CC1 ZINC000888964091 625158498 /nfs/dbraw/zinc/15/84/98/625158498.db2.gz OENQAMYUBUHYAY-UHFFFAOYSA-N 0 3 321.450 2.361 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)C1 ZINC001023126013 625163624 /nfs/dbraw/zinc/16/36/24/625163624.db2.gz FERINMDTMXQIIV-TXEJJXNPSA-N 0 3 318.808 2.095 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@@H]2CN(C(=O)C3CC3)C[C@@H]12 ZINC001026163371 625164351 /nfs/dbraw/zinc/16/43/51/625164351.db2.gz OFMLEXYMIJKAIP-KZNAEPCWSA-N 0 3 309.413 2.295 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001023184064 625177626 /nfs/dbraw/zinc/17/76/26/625177626.db2.gz BWZCZOLSRLYJGD-ZNMIVQPWSA-N 0 3 320.820 2.288 20 30 DEEDHN CC(C)=CCN1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973047178 625187077 /nfs/dbraw/zinc/18/70/77/625187077.db2.gz IOIDROSIHMYZNH-HNNXBMFYSA-N 0 3 300.406 2.293 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)C[C@@H]1C ZINC000947546030 625192200 /nfs/dbraw/zinc/19/22/00/625192200.db2.gz ADNLYBKRYJNCMG-ZFWWWQNUSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](F)Cc2ccccc2)C1 ZINC001027690931 634446233 /nfs/dbraw/zinc/44/62/33/634446233.db2.gz SHUVUPKLVKEQPB-IAGOWNOFSA-N 0 3 302.393 2.123 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2cnc3ccccc3n2)C1 ZINC001023414275 625260624 /nfs/dbraw/zinc/26/06/24/625260624.db2.gz PJUFQHCLSCXZRZ-CQSZACIVSA-N 0 3 310.401 2.258 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001023443446 625269455 /nfs/dbraw/zinc/26/94/55/625269455.db2.gz MNROWSNKKFAEDV-ZDUSSCGKSA-N 0 3 306.356 2.348 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnsn1 ZINC001025207189 625270214 /nfs/dbraw/zinc/27/02/14/625270214.db2.gz FSSQLQAMHHEUPO-KBPBESRZSA-N 0 3 306.435 2.183 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CCOCC1 ZINC001025213705 625271169 /nfs/dbraw/zinc/27/11/69/625271169.db2.gz NWEQGHGVQKHEKN-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001023445089 625271126 /nfs/dbraw/zinc/27/11/26/625271126.db2.gz GBIRUFMWOVVULP-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001023453907 625275133 /nfs/dbraw/zinc/27/51/33/625275133.db2.gz KPSUXHBHKREZAW-GDBMZVCRSA-N 0 3 316.449 2.238 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001024523367 625837710 /nfs/dbraw/zinc/83/77/10/625837710.db2.gz PTBWEPUGVCLQLH-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001024537011 625855201 /nfs/dbraw/zinc/85/52/01/625855201.db2.gz ZCPCJGJBXFZBDH-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001024552778 625871426 /nfs/dbraw/zinc/87/14/26/625871426.db2.gz KUNDEBRZLUJAFP-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001024555931 625875861 /nfs/dbraw/zinc/87/58/61/625875861.db2.gz BEODVDDBFAWAFK-KRWDZBQOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001024567371 625892153 /nfs/dbraw/zinc/89/21/53/625892153.db2.gz AMOJXQVKGVZQFW-BBWFWOEESA-N 0 3 306.450 2.348 20 30 DEEDHN COc1ccc2c(c1)CC[C@@H](C(=O)C(C#N)C(=O)NC(C)C)C2 ZINC000892500963 625912383 /nfs/dbraw/zinc/91/23/83/625912383.db2.gz ILYGCCZPSAEUNJ-GDBMZVCRSA-N 0 3 314.385 2.034 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(C4CCC4)c3)[C@@H]2C1 ZINC000978958912 634464827 /nfs/dbraw/zinc/46/48/27/634464827.db2.gz KCGHBSVLYPJSEI-LDLYASANSA-N 0 3 308.425 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC001024652224 625952401 /nfs/dbraw/zinc/95/24/01/625952401.db2.gz JUQOLENBJPKRKB-FUHWJXTLSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000999076557 634472175 /nfs/dbraw/zinc/47/21/75/634472175.db2.gz LULUOUZBDTWOTI-XUJLQICISA-N 0 3 320.820 2.322 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3OCC)[C@@H]2C1 ZINC000979016622 634482142 /nfs/dbraw/zinc/48/21/42/634482142.db2.gz SAZNAMXCWDNYNZ-OSYLJGHBSA-N 0 3 312.413 2.016 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3sccc3C3CC3)[C@@H]2C1 ZINC000979049173 634490559 /nfs/dbraw/zinc/49/05/59/634490559.db2.gz WBYOKRZDFHDYOT-QKDCVEJESA-N 0 3 300.427 2.166 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CCCc3nccn32)C1 ZINC000999373497 634569784 /nfs/dbraw/zinc/56/97/84/634569784.db2.gz QJCJHHOVDPCBHA-UONOGXRCSA-N 0 3 322.840 2.094 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC000999413245 634587105 /nfs/dbraw/zinc/58/71/05/634587105.db2.gz YZXZQIBGZBWPDX-IUDNXUCKSA-N 0 3 319.836 2.128 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ncccc2OC)C1 ZINC000999738431 634666384 /nfs/dbraw/zinc/66/63/84/634666384.db2.gz CPCAJWCQKJACGP-UHFFFAOYSA-N 0 3 309.797 2.035 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001000091816 634738601 /nfs/dbraw/zinc/73/86/01/634738601.db2.gz JMDSBJWNAQFICG-WMZOPIPTSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)Oc1ccccc1C ZINC000836327642 650079739 /nfs/dbraw/zinc/07/97/39/650079739.db2.gz GHYHVWUABHMXBC-INIZCTEOSA-N 0 3 317.433 2.017 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C)cc1SC ZINC000836358057 650083080 /nfs/dbraw/zinc/08/30/80/650083080.db2.gz MSXWTGNQVUZWDQ-UHFFFAOYSA-N 0 3 319.474 2.471 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=C)C)CC1(C)C ZINC000974587255 633167611 /nfs/dbraw/zinc/16/76/11/633167611.db2.gz IMRYLSCTVMOJCU-OWCLPIDISA-N 0 3 306.450 2.370 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC000996139976 633194447 /nfs/dbraw/zinc/19/44/47/633194447.db2.gz RUZNBGDUCUZHBW-DGCLKSJQSA-N 0 3 319.453 2.213 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)C(C)(C)C1 ZINC000974637563 633198306 /nfs/dbraw/zinc/19/83/06/633198306.db2.gz YNCLLJUICDWKHP-MRXNPFEDSA-N 0 3 316.449 2.314 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn3c2CCCC3)C(C)(C)C1 ZINC000974674062 633225928 /nfs/dbraw/zinc/22/59/28/633225928.db2.gz HPMTYCRYWOKTTJ-KRWDZBQOSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)ccc2OC)C(C)(C)C1 ZINC000974794562 633303212 /nfs/dbraw/zinc/30/32/12/633303212.db2.gz ZEVKOOPLCUKAGY-KRWDZBQOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)C(C)(C)C1 ZINC000974847454 633330975 /nfs/dbraw/zinc/33/09/75/633330975.db2.gz NIDPHYBOWLNWDX-HOTGVXAUSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001026988735 633333607 /nfs/dbraw/zinc/33/36/07/633333607.db2.gz NXCGNICSMSKWQK-HNNXBMFYSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001027041142 633367131 /nfs/dbraw/zinc/36/71/31/633367131.db2.gz PVIGNHBDOPGWJD-MAUKXSAKSA-N 0 3 318.465 2.443 20 30 DEEDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124535102 633390193 /nfs/dbraw/zinc/39/01/93/633390193.db2.gz BFZNRMRAJGSUNF-BXUZGUMPSA-N 0 3 320.776 2.439 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000975112130 633428581 /nfs/dbraw/zinc/42/85/81/633428581.db2.gz QLWUHNHRGFKPFW-SJORKVTESA-N 0 3 319.493 2.099 20 30 DEEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125138422 633513631 /nfs/dbraw/zinc/51/36/31/633513631.db2.gz PETXTLFVZDYBST-TZMCWYRMSA-N 0 3 309.325 2.196 20 30 DEEDHN CSCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027284590 633557348 /nfs/dbraw/zinc/55/73/48/633557348.db2.gz LGFSIZANTRVFOU-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000997040001 633563106 /nfs/dbraw/zinc/56/31/06/633563106.db2.gz CHQJLPDXKXYFAZ-QGZVFWFLSA-N 0 3 309.413 2.439 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000997096886 633574558 /nfs/dbraw/zinc/57/45/58/633574558.db2.gz DOVQYNPPDRIFKM-NJAFHUGGSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(F)cccc2OC)CC1 ZINC000997103670 633580411 /nfs/dbraw/zinc/58/04/11/633580411.db2.gz IXYYSRFPTACIJX-CYBMUJFWSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c[nH]nc2CCC)CC1 ZINC000997199661 633673438 /nfs/dbraw/zinc/67/34/38/633673438.db2.gz WJJVQDPMBMYXSN-CQSZACIVSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC000997217794 633678955 /nfs/dbraw/zinc/67/89/55/633678955.db2.gz MBXAJFHNKXWKHI-CYBMUJFWSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(F)ccc2OC)CC1 ZINC000997247726 633683902 /nfs/dbraw/zinc/68/39/02/633683902.db2.gz OBYKTIGHZYIYOI-CYBMUJFWSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2coc(C(C)(C)C)n2)C1 ZINC001027411734 633750808 /nfs/dbraw/zinc/75/08/08/633750808.db2.gz RTNQBJXKFFAWMY-ZDUSSCGKSA-N 0 3 303.406 2.142 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c[nH]c3cccnc23)CC1 ZINC000997389719 633752664 /nfs/dbraw/zinc/75/26/64/633752664.db2.gz GQVPIXWKGYSJTO-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)C[C@@H]1C ZINC000947922425 633782397 /nfs/dbraw/zinc/78/23/97/633782397.db2.gz XOYDTHYOBUZCEI-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCN2CCCC2=O)cc1 ZINC000093320272 633799959 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C#CCN1CCC([C@H](C)NC(=O)c2ccc(OC)c(F)c2)CC1 ZINC000997626556 633903614 /nfs/dbraw/zinc/90/36/14/633903614.db2.gz QJVOHQRKZABOPO-ZDUSSCGKSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)ccc2OC)CC1 ZINC000997670032 633923032 /nfs/dbraw/zinc/92/30/32/633923032.db2.gz APEHLDJZCFNDTL-HNNXBMFYSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc3ncccc3o2)CC1 ZINC000997681727 633931030 /nfs/dbraw/zinc/93/10/30/633931030.db2.gz GOAWQKIHRHVZBH-ZDUSSCGKSA-N 0 3 311.385 2.291 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2coc(CCC)n2)CC1 ZINC000997832396 634003829 /nfs/dbraw/zinc/00/38/29/634003829.db2.gz JHAHLXJNVYREIV-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(F)cc2)C(C)(C)C1 ZINC000977570950 634052729 /nfs/dbraw/zinc/05/27/29/634052729.db2.gz IEXRLXPAYNWMBZ-MRXNPFEDSA-N 0 3 302.393 2.218 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2c[nH]c(C)n2)CC1 ZINC000997947742 634072246 /nfs/dbraw/zinc/07/22/46/634072246.db2.gz DYTNVXVKTGBKJJ-OAHLLOKOSA-N 0 3 302.422 2.058 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cccc(=O)[nH]2)CC1 ZINC000997959924 634080464 /nfs/dbraw/zinc/08/04/64/634080464.db2.gz KPCZLOMGZGXELV-OAHLLOKOSA-N 0 3 315.417 2.127 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2csc(C3CC3)n2)C(C)(C)C1 ZINC000977667899 634093499 /nfs/dbraw/zinc/09/34/99/634093499.db2.gz PLKRVGWWEVDWPV-AWEZNQCLSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccnn2CCC)CC1 ZINC000998024664 634116289 /nfs/dbraw/zinc/11/62/89/634116289.db2.gz ZFQHIWITJUKVEG-INIZCTEOSA-N 0 3 316.449 2.243 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(Cl)n(C)n2)CC1 ZINC000998058544 634126468 /nfs/dbraw/zinc/12/64/68/634126468.db2.gz OJNJCWOLMTZEGI-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2coc(OC)n2)CC1 ZINC000998070110 634132180 /nfs/dbraw/zinc/13/21/80/634132180.db2.gz BJTVDNRVDUPGQJ-ZDUSSCGKSA-N 0 3 307.394 2.186 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2csc(=O)[nH]2)CC1 ZINC000998097056 634140705 /nfs/dbraw/zinc/14/07/05/634140705.db2.gz 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C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc2cc(C)ccn12 ZINC001027900858 634911844 /nfs/dbraw/zinc/91/18/44/634911844.db2.gz CCAOTXUOVWPTCP-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(COC)c(F)c2)C1 ZINC000980267991 634922828 /nfs/dbraw/zinc/92/28/28/634922828.db2.gz YAVWOXFPQUKACX-OAHLLOKOSA-N 0 3 306.381 2.304 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC000980270396 634923864 /nfs/dbraw/zinc/92/38/64/634923864.db2.gz QETBCHKNBSMRPW-IEBWSBKVSA-N 0 3 314.429 2.411 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000980313854 634950031 /nfs/dbraw/zinc/95/00/31/634950031.db2.gz UHYYBOKGBQVGIM-AWEZNQCLSA-N 0 3 312.369 2.125 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccc(CC)cc2)C1 ZINC000980313610 634950614 /nfs/dbraw/zinc/95/06/14/634950614.db2.gz SZFLYSWYEXGBIM-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(OC)cc2)C1 ZINC000980332410 634957560 /nfs/dbraw/zinc/95/75/60/634957560.db2.gz DPIYYOPBTBHAAW-MRXNPFEDSA-N 0 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/nfs/dbraw/zinc/23/72/84/635237284.db2.gz JGNDNMYUSKZVHD-HOTGVXAUSA-N 0 3 300.402 2.004 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC000980934996 635243548 /nfs/dbraw/zinc/24/35/48/635243548.db2.gz HRFKAWBAMQEVLQ-HOTGVXAUSA-N 0 3 324.384 2.377 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001028022773 635279266 /nfs/dbraw/zinc/27/92/66/635279266.db2.gz NGFGMRGQXGEBNJ-OAHLLOKOSA-N 0 3 300.402 2.140 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000947726020 635280163 /nfs/dbraw/zinc/28/01/63/635280163.db2.gz HMEZJTHBLTUMRX-GOEBONIOSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC001000737512 635292348 /nfs/dbraw/zinc/29/23/48/635292348.db2.gz OEDOYKMSLXJQLC-UHFFFAOYSA-N 0 3 310.348 2.135 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001028030573 635306099 /nfs/dbraw/zinc/30/60/99/635306099.db2.gz DRAJGUSVHAMYMM-LBPRGKRZSA-N 0 3 315.373 2.304 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc2cnccc2c1 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C=C(C)CN1CCCN(C(=O)C[C@H]2Cc3ccccc3O2)CC1 ZINC000981231202 635385450 /nfs/dbraw/zinc/38/54/50/635385450.db2.gz CLQQWKIEVIJUBY-QGZVFWFLSA-N 0 3 314.429 2.491 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001028055654 635387787 /nfs/dbraw/zinc/38/77/87/635387787.db2.gz CWXQQFZIANXTCA-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001028065895 635400970 /nfs/dbraw/zinc/40/09/70/635400970.db2.gz NEDAXYZQXZNLAJ-SJLPKXTDSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001028065893 635401152 /nfs/dbraw/zinc/40/11/52/635401152.db2.gz NEDAXYZQXZNLAJ-AEFFLSMTSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn(CCC)nc2C)CC1 ZINC001001298383 635454407 /nfs/dbraw/zinc/45/44/07/635454407.db2.gz PDNSQJOJPYBZOS-UHFFFAOYSA-N 0 3 302.422 2.149 20 30 DEEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C#CC1CC1 ZINC000837408091 650195402 /nfs/dbraw/zinc/19/54/02/650195402.db2.gz LWDINTWJIJOYQW-SFHVURJKSA-N 0 3 311.429 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C#CCCN1CCCN(C(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000982064915 635853071 /nfs/dbraw/zinc/85/30/71/635853071.db2.gz KZRWNQIEVZVQNB-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CCc3scnc3C)C2)C1 ZINC000982099826 635866631 /nfs/dbraw/zinc/86/66/31/635866631.db2.gz KMVJKHMJDOONSA-UHFFFAOYSA-N 0 3 319.474 2.495 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3sc(C)nc3C)C2)C1 ZINC000982143763 635886832 /nfs/dbraw/zinc/88/68/32/635886832.db2.gz DTTDMFZLHQOFQL-UHFFFAOYSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3ccc(F)cc3O2)CC1 ZINC001003307285 635935473 /nfs/dbraw/zinc/93/54/73/635935473.db2.gz XMRRYEUNPBBXFS-INIZCTEOSA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3c(Cl)cnn3C)C[C@]2(C)C1 ZINC000982281237 635943887 /nfs/dbraw/zinc/94/38/87/635943887.db2.gz QSATVSOASXWOBH-IYBDPMFKSA-N 0 3 322.840 2.044 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)C[C@]2(C)C1 ZINC000982320341 635969112 /nfs/dbraw/zinc/96/91/12/635969112.db2.gz 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C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC000989778882 641227166 /nfs/dbraw/zinc/22/71/66/641227166.db2.gz LLJDVUNPAIRTEB-HNAYVOBHSA-N 0 3 310.441 2.320 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ncccc2OCC)CC1 ZINC000989815359 641239910 /nfs/dbraw/zinc/23/99/10/641239910.db2.gz FCZKUXFOLXRGRX-UHFFFAOYSA-N 0 3 303.406 2.204 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000989816715 641240281 /nfs/dbraw/zinc/24/02/81/641240281.db2.gz QGUPNTKZMJUTQV-YOEHRIQHSA-N 0 3 312.413 2.301 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)cc3c2OCC3)C1 ZINC000989838961 641247603 /nfs/dbraw/zinc/24/76/03/641247603.db2.gz RUEMUZMBXUBIRM-BXUZGUMPSA-N 0 3 318.804 2.101 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC000989838893 641247977 /nfs/dbraw/zinc/24/79/77/641247977.db2.gz QMEJRZPMZHVWQG-CHWSQXEVSA-N 0 3 311.385 2.002 20 30 DEEDHN CN(C[C@H](O)c1ccc(F)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000842150820 650660885 /nfs/dbraw/zinc/66/08/85/650660885.db2.gz 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C#C[C@H](NC[C@@H](O)COc1cc(C)ccc1Cl)[C@@H]1CCCO1 ZINC000775795231 642098171 /nfs/dbraw/zinc/09/81/71/642098171.db2.gz VKPSILJOKCYKBK-KBMXLJTQSA-N 0 3 323.820 2.159 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775828962 642102268 /nfs/dbraw/zinc/10/22/68/642102268.db2.gz VZHZFONCPBRHOV-CQSZACIVSA-N 0 3 302.422 2.165 20 30 DEEDHN C#CCN(C(=S)N[C@H]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000899613451 642119989 /nfs/dbraw/zinc/11/99/89/642119989.db2.gz BNSXCDFMOCXDPA-ZBFHGGJFSA-N 0 3 307.507 2.469 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)/C(C)=C/C)CC1 ZINC000990848127 642386046 /nfs/dbraw/zinc/38/60/46/642386046.db2.gz XSHWDDUTJFSUHU-ONNFQVAWSA-N 0 3 301.228 2.442 20 30 DEEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCO[C@H](C)C2)c1 ZINC000778999791 642453618 /nfs/dbraw/zinc/45/36/18/642453618.db2.gz JRNGEVGCGMFFNP-ZBFHGGJFSA-N 0 3 300.402 2.353 20 30 DEEDHN C=CCOCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000779991214 642569433 /nfs/dbraw/zinc/56/94/33/642569433.db2.gz ABFYYFBEVSLUIP-UHFFFAOYSA-N 0 3 316.195 2.456 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ZINC000942980317 649309161 /nfs/dbraw/zinc/30/91/61/649309161.db2.gz VWTZMWHRNUEFEP-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccccc2COC)C1 ZINC000829788852 649356636 /nfs/dbraw/zinc/35/66/36/649356636.db2.gz ICNCAQUPIGAQBE-INIZCTEOSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)ncc2Cl)[C@@H](C)C1 ZINC000943336098 649368073 /nfs/dbraw/zinc/36/80/73/649368073.db2.gz VEKMUIZZILMMOO-GXFFZTMASA-N 0 3 308.813 2.065 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000943517628 649387683 /nfs/dbraw/zinc/38/76/83/649387683.db2.gz QGNUTEMGBIJKOC-KSSFIOAISA-N 0 3 312.413 2.180 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2sc(CC)nc2C)[C@@H](C)C1 ZINC000943495455 649388868 /nfs/dbraw/zinc/38/88/68/649388868.db2.gz DAKOJWWSYQROHE-GXTWGEPZSA-N 0 3 319.474 2.477 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2c(C)noc2Cl)[C@H](C)C1 ZINC000943550601 649394041 /nfs/dbraw/zinc/39/40/41/649394041.db2.gz ZQAUMYCTXMGSDR-BXUZGUMPSA-N 0 3 323.824 2.029 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H](C)C1 ZINC000943761358 649423595 /nfs/dbraw/zinc/42/35/95/649423595.db2.gz LQJYLXYZWCHBBC-WMLDXEAASA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(-c3cnco3)c2)[C@@H](C)C1 ZINC000943875088 649449761 /nfs/dbraw/zinc/44/97/61/649449761.db2.gz BIIMSWGYTKRRLM-WMLDXEAASA-N 0 3 323.396 2.415 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(-n3cccc3)ccn2)[C@H](C)C1 ZINC000944016786 649471031 /nfs/dbraw/zinc/47/10/31/649471031.db2.gz OEWZGZVOUNZOPU-WBVHZDCISA-N 0 3 324.428 2.499 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(F)cccc2F)[C@H](C)C1 ZINC000944316839 649510506 /nfs/dbraw/zinc/51/05/06/649510506.db2.gz HCGUOJXQKOKSKZ-IUODEOHRSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000944534085 649530821 /nfs/dbraw/zinc/53/08/21/649530821.db2.gz RKLBSUQPGNZOOU-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H](C)C1 ZINC000944920576 649586871 /nfs/dbraw/zinc/58/68/71/649586871.db2.gz 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651349265 /nfs/dbraw/zinc/34/92/65/651349265.db2.gz JBTILBKQVKMLOH-HVVUQACZSA-N 0 3 303.406 2.024 20 30 DEEDHN C=C(Br)CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000847300124 651387482 /nfs/dbraw/zinc/38/74/82/651387482.db2.gz RPTAATBXICSJDO-UHFFFAOYSA-N 0 3 318.259 2.411 20 30 DEEDHN CCN(C)c1ccccc1CNC(=O)[C@H](N)CCCCC#N ZINC000848415609 651457242 /nfs/dbraw/zinc/45/72/42/651457242.db2.gz VUFXFOSPNZVWOG-OAHLLOKOSA-N 0 3 302.422 2.170 20 30 DEEDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)CCCCC#N)CC2 ZINC000848429918 651458685 /nfs/dbraw/zinc/45/86/85/651458685.db2.gz YBEWEZRUVNFIPU-ZDUSSCGKSA-N 0 3 316.361 2.204 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)c2ccccc2SCC#N)CCN1 ZINC000856484584 651940465 /nfs/dbraw/zinc/94/04/65/651940465.db2.gz DXQKUPZWPCSIDU-CQSZACIVSA-N 0 3 303.431 2.372 20 30 DEEDHN CCS(=O)(=O)C1(CN[C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000850556350 651952873 /nfs/dbraw/zinc/95/28/73/651952873.db2.gz KQEKMXMLBCKVBR-CYBMUJFWSA-N 0 3 322.430 2.207 20 30 DEEDHN CO[C@@H](C(=O)C(C#N)c1nnc2n1CCCCC2)C1CCCC1 ZINC000850782545 651988882 /nfs/dbraw/zinc/98/88/82/651988882.db2.gz NLXIVGWWHYKMOB-CZUORRHYSA-N 0 3 316.405 2.386 20 30 DEEDHN C=CCOCCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000851644400 652197067 /nfs/dbraw/zinc/19/70/67/652197067.db2.gz PWMVLAMQBOBPEB-ZDUSSCGKSA-N 0 3 311.813 2.142 20 30 DEEDHN C#CC[C@@H](COC)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000858335936 652310273 /nfs/dbraw/zinc/31/02/73/652310273.db2.gz OOALHJPJTNYEIY-WMZOPIPTSA-N 0 3 303.402 2.372 20 30 DEEDHN C#CC[C@@H](COC)NCc1cn(-c2cccc(F)c2)nc1C ZINC000858334268 652310308 /nfs/dbraw/zinc/31/03/08/652310308.db2.gz KUFDLYJNHPLQAS-INIZCTEOSA-N 0 3 301.365 2.448 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000852098837 652337983 /nfs/dbraw/zinc/33/79/83/652337983.db2.gz XLONPEJEYFRVRI-FZKQIMNGSA-N 0 3 318.417 2.273 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCCCOc1ccccc1F ZINC000852101295 652339009 /nfs/dbraw/zinc/33/90/09/652339009.db2.gz CKVPHHHEVODTPV-QGZVFWFLSA-N 0 3 306.381 2.102 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)CCCOc1ccccc1 ZINC000852103179 652339769 /nfs/dbraw/zinc/33/97/69/652339769.db2.gz ZNWVHABHRVQCFT-SFHVURJKSA-N 0 3 302.418 2.305 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000852359902 652391217 /nfs/dbraw/zinc/39/12/17/652391217.db2.gz PBSQYJHBBPUUOL-GOEBONIOSA-N 0 3 319.836 2.450 20 30 DEEDHN C#CCCN(CCOC)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000852752925 652450136 /nfs/dbraw/zinc/45/01/36/652450136.db2.gz QVFSMKNUEKKMFW-UHFFFAOYSA-N 0 3 314.429 2.394 20 30 DEEDHN CC[C@H](F)CNC[C@H](CC(C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC001392169206 1156880466 /nfs/dbraw/zinc/88/04/66/1156880466.db2.gz OKRIJTAWIZIFBJ-ZFWWWQNUSA-N 0 3 308.401 2.369 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001393880428 1158041554 /nfs/dbraw/zinc/04/15/54/1158041554.db2.gz BYZSOTKWPGEWIO-KBPBESRZSA-N 0 3 301.862 2.002 20 30 DEEDHN COc1ccc(OC)c(NC(=[NH2+])NCc2ccc([O-])c(F)c2)c1 ZINC000304764016 685260662 /nfs/dbraw/zinc/26/06/62/685260662.db2.gz XKRCRAVZYBTOFT-UHFFFAOYSA-N 0 3 319.336 2.475 20 30 DEEDHN Cn1nccc1C(NC1CCC(C)(C#N)CC1)c1ccnn1C ZINC000858585550 685563427 /nfs/dbraw/zinc/56/34/27/685563427.db2.gz KDLNJCHDHLKCNC-UHFFFAOYSA-N 0 3 312.421 2.305 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000129378318 684178527 /nfs/dbraw/zinc/17/85/27/684178527.db2.gz PNTWCDRACRGOKZ-RWMBFGLXSA-N 0 3 320.414 2.022 20 30 DEEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000130408433 684188472 /nfs/dbraw/zinc/18/84/72/684188472.db2.gz SGOGBWVOABRJPA-CYBMUJFWSA-N 0 3 302.330 2.167 20 30 DEEDHN CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC/C=C/Cl ZINC001394715864 1158720581 /nfs/dbraw/zinc/72/05/81/1158720581.db2.gz NWQQHPBGUKPMCM-OOPCZODUSA-N 0 3 306.797 2.079 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000133518884 684220210 /nfs/dbraw/zinc/22/02/10/684220210.db2.gz NXUXUWUOWKDTMK-OCCSQVGLSA-N 0 3 302.374 2.341 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1ccsc1)C2 ZINC001054078414 693833804 /nfs/dbraw/zinc/83/38/04/693833804.db2.gz NECSTFBEMGTGKF-KRWDZBQOSA-N 0 3 302.443 2.238 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cncc(C)c1)C2 ZINC001054108206 693848103 /nfs/dbraw/zinc/84/81/03/693848103.db2.gz QAKMVDSMYFAMRM-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(C)o1)C2 ZINC001054120366 693852578 /nfs/dbraw/zinc/85/25/78/693852578.db2.gz TZQHBPIOSDCHMT-GOSISDBHSA-N 0 3 300.402 2.078 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccncc1C)C2 ZINC001054128105 693856041 /nfs/dbraw/zinc/85/60/41/693856041.db2.gz PZKUJXYDUWAVLA-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(CC)ccn1)C2 ZINC001054135858 693859065 /nfs/dbraw/zinc/85/90/65/693859065.db2.gz KROXNRHVUKRAJK-LJQANCHMSA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1Cc3ccccc31)C2 ZINC001054187670 693875279 /nfs/dbraw/zinc/87/52/79/693875279.db2.gz XFOZSSFOCGVICH-AZUAARDMSA-N 0 3 308.425 2.274 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCc1cncs1)C2 ZINC001054197798 693878727 /nfs/dbraw/zinc/87/87/27/693878727.db2.gz IUHZVCIMMIYEMF-QGZVFWFLSA-N 0 3 317.458 2.023 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)Cc1ccco1)C2 ZINC001054213416 693884704 /nfs/dbraw/zinc/88/47/04/693884704.db2.gz ZRJHDQBLFVCHSK-QFBILLFUSA-N 0 3 314.429 2.406 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001054246861 693899256 /nfs/dbraw/zinc/89/92/56/693899256.db2.gz KXDJSOYEDHRTIL-IACFOHHFSA-N 0 3 312.457 2.226 20 30 DEEDHN CCCCCCCS(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000195091370 685086955 /nfs/dbraw/zinc/08/69/55/685086955.db2.gz SARPMPDELBVIFV-CQSZACIVSA-N 0 3 302.484 2.361 20 30 DEEDHN COC(=O)C[C@@]1(NCc2ccc(C)c(C#N)c2)CCCOC1 ZINC000859256327 685691813 /nfs/dbraw/zinc/69/18/13/685691813.db2.gz YCTGCDCPOJTQMT-KRWDZBQOSA-N 0 3 302.374 2.069 20 30 DEEDHN COC(=O)/C(C)=C/CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000859882642 685846850 /nfs/dbraw/zinc/84/68/50/685846850.db2.gz YVNFYVIPGZDKKC-VGOFMYFVSA-N 0 3 314.385 2.273 20 30 DEEDHN CCO[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000860472067 685931035 /nfs/dbraw/zinc/93/10/35/685931035.db2.gz AUQPGBAAADCGDA-GDBMZVCRSA-N 0 3 316.357 2.158 20 30 DEEDHN C[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054662402 694017969 /nfs/dbraw/zinc/01/79/69/694017969.db2.gz HASDJVUBKRAEEV-LRDDRELGSA-N 0 3 315.392 2.434 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2coc(C#N)c2)o1 ZINC000865041253 686923240 /nfs/dbraw/zinc/92/32/40/686923240.db2.gz PTWHCACUEQJHHO-UHFFFAOYSA-N 0 3 301.346 2.257 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001015909388 687462403 /nfs/dbraw/zinc/46/24/03/687462403.db2.gz YUTVPIXYFPWHSM-CYBMUJFWSA-N 0 3 312.373 2.117 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001015929114 687468603 /nfs/dbraw/zinc/46/86/03/687468603.db2.gz PIPQELDOJHLVRP-QWHCGFSZSA-N 0 3 303.406 2.180 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001015965057 687483119 /nfs/dbraw/zinc/48/31/19/687483119.db2.gz 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/nfs/dbraw/zinc/68/79/27/687687927.db2.gz YTMRVQHQTKMZBP-MRXNPFEDSA-N 0 3 309.369 2.045 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cn(C)c3ccccc23)CC1 ZINC001016714773 687688846 /nfs/dbraw/zinc/68/88/46/687688846.db2.gz KVESBRLWGNKZAA-SFHVURJKSA-N 0 3 321.424 2.396 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(C)ccc2OC)CC1 ZINC001016717470 687689552 /nfs/dbraw/zinc/68/95/52/687689552.db2.gz UGURKKNXKAZWJK-QGZVFWFLSA-N 0 3 312.413 2.221 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(F)ccc(C)c2F)CC1 ZINC001016812191 687708323 /nfs/dbraw/zinc/70/83/23/687708323.db2.gz ZKKRMMBTLAYRCR-AWEZNQCLSA-N 0 3 318.367 2.491 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)c2cccs2)CC1 ZINC001016818875 687709619 /nfs/dbraw/zinc/70/96/19/687709619.db2.gz GSSRSDZFSOOWJC-ZFWWWQNUSA-N 0 3 302.443 2.456 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ocnc2C(F)F)CC1 ZINC001016828806 687712285 /nfs/dbraw/zinc/71/22/85/687712285.db2.gz IMDHPPCOPHMEJS-NSHDSACASA-N 0 3 323.343 2.220 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C3CC3)nc2C)CC1 ZINC001016831621 687713239 /nfs/dbraw/zinc/71/32/39/687713239.db2.gz AUOPWUPSIKVRSO-GOSISDBHSA-N 0 3 323.440 2.485 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2oc(C(C)C)nc2C)CC1 ZINC001016871160 687723591 /nfs/dbraw/zinc/72/35/91/687723591.db2.gz UKVYCFVFSLTQKX-CQSZACIVSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3cccnc3c2)CC1 ZINC001016886253 687727258 /nfs/dbraw/zinc/72/72/58/687727258.db2.gz CQJHGEIPYLTQGE-GOSISDBHSA-N 0 3 319.408 2.452 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001016906316 687731299 /nfs/dbraw/zinc/73/12/99/687731299.db2.gz BWILUCBCBIJXNV-KRWDZBQOSA-N 0 3 311.429 2.500 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cnoc2C2CC2)CC1 ZINC001016908933 687732243 /nfs/dbraw/zinc/73/22/43/687732243.db2.gz DLOAPRUGLNBZPN-HNNXBMFYSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2ccc(C)s2)CC1 ZINC001016986413 687749740 /nfs/dbraw/zinc/74/97/40/687749740.db2.gz QNDNZCJPRYCZQC-OAHLLOKOSA-N 0 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C=CCN1CCCC[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001034367724 689824824 /nfs/dbraw/zinc/82/48/24/689824824.db2.gz HIWQJYCMGFTJLC-OAHLLOKOSA-N 0 3 317.433 2.103 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001034397321 689835738 /nfs/dbraw/zinc/83/57/38/689835738.db2.gz KGZPVXCQKVCZPT-GJZGRUSLSA-N 0 3 313.873 2.194 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001034447816 689853773 /nfs/dbraw/zinc/85/37/73/689853773.db2.gz KSBDJUJCGNXUBI-LBPRGKRZSA-N 0 3 311.813 2.336 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000876560294 689856934 /nfs/dbraw/zinc/85/69/34/689856934.db2.gz HKMASGMHXCJVTD-ZDUSSCGKSA-N 0 3 307.781 2.004 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2noc(C)n2)CCCCC1 ZINC000876571347 689861650 /nfs/dbraw/zinc/86/16/50/689861650.db2.gz JUKHIKCZHGCLFD-LLVKDONJSA-N 0 3 312.801 2.124 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001034481955 689867806 /nfs/dbraw/zinc/86/78/06/689867806.db2.gz GBPAPDYYHVZTEN-MRXNPFEDSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001034487484 689869547 /nfs/dbraw/zinc/86/95/47/689869547.db2.gz NWGCHWCWMXSOOS-CQSZACIVSA-N 0 3 316.449 2.315 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001034487189 689869582 /nfs/dbraw/zinc/86/95/82/689869582.db2.gz MQBRIGLBVIEKFY-MAUKXSAKSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000876595263 689869704 /nfs/dbraw/zinc/86/97/04/689869704.db2.gz AZIHBMKBRCLZEM-HNNXBMFYSA-N 0 3 318.808 2.018 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2sccc2OC)C1 ZINC001034497810 689873739 /nfs/dbraw/zinc/87/37/39/689873739.db2.gz GWCWLONCJXSESJ-ZDUSSCGKSA-N 0 3 306.431 2.364 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccccc2OC)C1 ZINC001034496361 689873851 /nfs/dbraw/zinc/87/38/51/689873851.db2.gz RUCGJAAKLRHNSS-OAHLLOKOSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccnc2OCC)C1 ZINC001034510634 689879366 /nfs/dbraw/zinc/87/93/66/689879366.db2.gz FYCRZWVVYPPEPA-HNNXBMFYSA-N 0 3 315.417 2.088 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001034517147 689882301 /nfs/dbraw/zinc/88/23/01/689882301.db2.gz JIZGGJOUHQKZQG-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N1CCOC1=O ZINC000876632646 689883063 /nfs/dbraw/zinc/88/30/63/689883063.db2.gz GRIMASDCGCYLIW-SNVBAGLBSA-N 0 3 309.753 2.052 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000876645401 689887116 /nfs/dbraw/zinc/88/71/16/689887116.db2.gz NJSLPKJLZHVIHE-KGLIPLIRSA-N 0 3 312.772 2.196 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000876658551 689892352 /nfs/dbraw/zinc/89/23/52/689892352.db2.gz YYTFBMBEDFLYRF-GOEBONIOSA-N 0 3 308.809 2.231 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(OC)cc1Cl ZINC000876666788 689894585 /nfs/dbraw/zinc/89/45/85/689894585.db2.gz WULZRBIWVHQFGR-CYBMUJFWSA-N 0 3 317.216 2.477 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000876696316 689906354 /nfs/dbraw/zinc/90/63/54/689906354.db2.gz SDNGROIJYMSBIN-QWRGUYRKSA-N 0 3 301.173 2.360 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000876696314 689906705 /nfs/dbraw/zinc/90/67/05/689906705.db2.gz SDNGROIJYMSBIN-GHMZBOCLSA-N 0 3 301.173 2.360 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)c2cocn2)CC1 ZINC001034605708 689910411 /nfs/dbraw/zinc/91/04/11/689910411.db2.gz LQPZZAVCBFTBIQ-WKILWMFISA-N 0 3 324.384 2.377 20 30 DEEDHN CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCC#N)CC1 ZINC001034775280 689945325 /nfs/dbraw/zinc/94/53/25/689945325.db2.gz JRODBKJXGGKEFS-BRWVUGGUSA-N 0 3 320.481 2.182 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](COC)Cc1ccccc1 ZINC000876902349 689968631 /nfs/dbraw/zinc/96/86/31/689968631.db2.gz MZMMNESAJDGFQJ-HUUCEWRRSA-N 0 3 310.825 2.172 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000876941004 689978058 /nfs/dbraw/zinc/97/80/58/689978058.db2.gz DSOSLPDWUCTQAI-RDBSUJKOSA-N 0 3 300.830 2.122 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@H]1CCc2ccccc2N1 ZINC000876948979 689980409 /nfs/dbraw/zinc/98/04/09/689980409.db2.gz YBIMZUDLPXHLMK-ZIAGYGMSSA-N 0 3 307.825 2.390 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)COc1c(F)cccc1F ZINC000876966535 689985439 /nfs/dbraw/zinc/98/54/39/689985439.db2.gz SZXBFHOZOZWEED-BXKDBHETSA-N 0 3 318.751 2.318 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000876979269 689988607 /nfs/dbraw/zinc/98/86/07/689988607.db2.gz ZFWYDKBVJRTASQ-OAHLLOKOSA-N 0 3 321.852 2.422 20 30 DEEDHN C=C(Cl)C[C@@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)OCC ZINC000877144391 690028806 /nfs/dbraw/zinc/02/88/06/690028806.db2.gz LTYGPFRSNZECQQ-UONOGXRCSA-N 0 3 324.808 2.267 20 30 DEEDHN CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001035158469 690043065 /nfs/dbraw/zinc/04/30/65/690043065.db2.gz OFRWZXPNZHXBJV-UHFFFAOYSA-N 0 3 312.413 2.344 20 30 DEEDHN CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001035158469 690043069 /nfs/dbraw/zinc/04/30/69/690043069.db2.gz OFRWZXPNZHXBJV-UHFFFAOYSA-N 0 3 312.413 2.344 20 30 DEEDHN C[C@@H]1CCN[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC000877216728 690048654 /nfs/dbraw/zinc/04/86/54/690048654.db2.gz XYVKRIBLFCJZRM-DYVFJYSZSA-N 0 3 323.400 2.130 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC001035636241 690137714 /nfs/dbraw/zinc/13/77/14/690137714.db2.gz WLMLCEVKWZKONG-UHFFFAOYSA-N 0 3 300.377 2.387 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](CC)O1)CC2 ZINC001035719373 690160385 /nfs/dbraw/zinc/16/03/85/690160385.db2.gz UWDPQGZDVBXHHZ-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN COC(=O)[C@@]1(C)CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877592328 690161289 /nfs/dbraw/zinc/16/12/89/690161289.db2.gz NWOSDDDQYHWCGB-SFHVURJKSA-N 0 3 315.417 2.399 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1nc(CC)c[nH]1)CC2 ZINC001035726778 690162518 /nfs/dbraw/zinc/16/25/18/690162518.db2.gz XXKGLCLUSAXQIF-UHFFFAOYSA-N 0 3 316.449 2.015 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c[nH]nc1CC)CC2 ZINC001035739392 690164933 /nfs/dbraw/zinc/16/49/33/690164933.db2.gz IHIHYAKPZJZRMZ-UHFFFAOYSA-N 0 3 302.422 2.086 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C(F)F)CCC1)CC2 ZINC001035774694 690173012 /nfs/dbraw/zinc/17/30/12/690173012.db2.gz NPWUBIGSPWZNMD-UHFFFAOYSA-N 0 3 310.388 2.370 20 30 DEEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)[C@@]1(O)CCCOC1 ZINC000877637246 690175302 /nfs/dbraw/zinc/17/53/02/690175302.db2.gz GIBBUUDINOYKIO-MRXNPFEDSA-N 0 3 323.824 2.264 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC[C@H]1CC[C@H](C)O1)CC2 ZINC001035852321 690193322 /nfs/dbraw/zinc/19/33/22/690193322.db2.gz ARUFWBMRTWPFGD-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)CC2 ZINC001035852327 690193534 /nfs/dbraw/zinc/19/35/34/690193534.db2.gz ARUFWBMRTWPFGD-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN COC(=O)c1ccc(CN(C)CCc2cccc(C#N)c2)n1C ZINC000877705111 690197959 /nfs/dbraw/zinc/19/79/59/690197959.db2.gz SJDWHVVACBMKDM-UHFFFAOYSA-N 0 3 311.385 2.358 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cnco2)CC[C@@H]1NCc1ccccc1C#N ZINC001036133875 690271198 /nfs/dbraw/zinc/27/11/98/690271198.db2.gz KTGHYJSKMVJAFV-CJNGLKHVSA-N 0 3 324.384 2.187 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cnns2)[C@H](C)C1 ZINC001036137332 690272329 /nfs/dbraw/zinc/27/23/29/690272329.db2.gz MFIWVBLBAPSHOF-OCCSQVGLSA-N 0 3 322.478 2.467 20 30 DEEDHN CC[C@@]1(O)CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878466617 690415427 /nfs/dbraw/zinc/41/54/27/690415427.db2.gz UHNWKDIEFUUNGJ-QZTJIDSGSA-N 0 3 300.402 2.274 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(Cc2cccc(OC)c2)CC1 ZINC000879449819 690644249 /nfs/dbraw/zinc/64/42/49/690644249.db2.gz XUVAJFGRKZKVDS-QGZVFWFLSA-N 0 3 304.434 2.140 20 30 DEEDHN COc1ccc(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)cc1C#N ZINC000879487002 690651994 /nfs/dbraw/zinc/65/19/94/690651994.db2.gz SXADDWZVFPXIJO-QGZVFWFLSA-N 0 3 313.401 2.043 20 30 DEEDHN C#CCCN1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC000879605951 690686070 /nfs/dbraw/zinc/68/60/70/690686070.db2.gz PGHYYUOJRUIPJR-CABCVRRESA-N 0 3 317.433 2.191 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2CCC2CCCC2)c1 ZINC001038147585 690721014 /nfs/dbraw/zinc/72/10/14/690721014.db2.gz XWNUTNJIFJXIEW-OAHLLOKOSA-N 0 3 300.406 2.271 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038342957 690788918 /nfs/dbraw/zinc/78/89/18/690788918.db2.gz YCDMTJOXFGCDID-LLVKDONJSA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001038368289 690797096 /nfs/dbraw/zinc/79/70/96/690797096.db2.gz OFFOZPVQFHFRSG-HNNXBMFYSA-N 0 3 312.417 2.331 20 30 DEEDHN C#CCNC(=O)CN1CC[C@@H](c2cccc(OC)c2)C1(C)C ZINC000880283451 690858348 /nfs/dbraw/zinc/85/83/48/690858348.db2.gz KYRBTFJJQWTSAH-INIZCTEOSA-N 0 3 300.402 2.013 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001038688534 690899049 /nfs/dbraw/zinc/89/90/49/690899049.db2.gz VONKKAWQAQYHDG-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038744032 690911707 /nfs/dbraw/zinc/91/17/07/690911707.db2.gz YZWSEOJGCZEPCA-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN N#CCc1ccc(CN2CCN(CCCCCO)CC2)cc1 ZINC000931494198 694411869 /nfs/dbraw/zinc/41/18/69/694411869.db2.gz FKIIQYYNHOXOJC-UHFFFAOYSA-N 0 3 301.434 2.033 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001038840718 690941106 /nfs/dbraw/zinc/94/11/06/690941106.db2.gz WJZUCVBDRYCYOR-AWEZNQCLSA-N 0 3 315.417 2.046 20 30 DEEDHN CCN1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000880715229 690962073 /nfs/dbraw/zinc/96/20/73/690962073.db2.gz OCIVYHAPECBQPW-UHFFFAOYSA-N 0 3 308.332 2.396 20 30 DEEDHN N#Cc1cc(NC(=O)NCCN2CCCCC2)c(F)cc1F ZINC000880715325 690962231 /nfs/dbraw/zinc/96/22/31/690962231.db2.gz RDTJCWVQKKDFRV-UHFFFAOYSA-N 0 3 308.332 2.444 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1CCN1CC1CCC1 ZINC001038906439 690963537 /nfs/dbraw/zinc/96/35/37/690963537.db2.gz YASFJGGMMRJQKU-OAHLLOKOSA-N 0 3 315.417 2.251 20 30 DEEDHN COCCN(CCN(C)C)C(=O)Nc1cc(C#N)c(F)cc1C ZINC000880994099 691010175 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C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001045181933 691947671 /nfs/dbraw/zinc/94/76/71/691947671.db2.gz GQLIBYUAMUZGKR-DOTOQJQBSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000885846654 691949331 /nfs/dbraw/zinc/94/93/31/691949331.db2.gz JRZDDJJPIVSHFV-HNNXBMFYSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2sc3nccn3c2C)CC1 ZINC001045464499 691985065 /nfs/dbraw/zinc/98/50/65/691985065.db2.gz SMWWBUWTMPCTKW-UHFFFAOYSA-N 0 3 318.446 2.475 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)c2cnc3ccc(C)cn23)CC1 ZINC001045500719 691989936 /nfs/dbraw/zinc/98/99/36/691989936.db2.gz JEQWNTUDJMPVQW-UHFFFAOYSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(C)CN1CCC(C)(NC(=O)c2cc(OCC)no2)CC1 ZINC001045503168 691990168 /nfs/dbraw/zinc/99/01/68/691990168.db2.gz MCDLFTBLYCNOJQ-UHFFFAOYSA-N 0 3 307.394 2.234 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2nc(C)ncc2Cl)CC1 ZINC001045579784 691999970 /nfs/dbraw/zinc/99/99/70/691999970.db2.gz IYYVBIREMOUFOK-UHFFFAOYSA-N 0 3 308.813 2.209 20 30 DEEDHN N#CC1(C[C@H](O)CN[C@H](CCO)c2ccccc2F)CCC1 ZINC000886265591 692039643 /nfs/dbraw/zinc/03/96/43/692039643.db2.gz LZDJHWDISZMGLL-XJKSGUPXSA-N 0 3 306.381 2.284 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1CCOCC1)C2 ZINC001045906516 692046258 /nfs/dbraw/zinc/04/62/58/692046258.db2.gz BZVGMUIYRMZRBL-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCCO1)C2 ZINC001045920505 692050794 /nfs/dbraw/zinc/05/07/94/692050794.db2.gz RUAKLTMHMOKQIZ-IEBWSBKVSA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCOC1)C2 ZINC001045924646 692053163 /nfs/dbraw/zinc/05/31/63/692053163.db2.gz MIFUZTFPJVYPCZ-HKUYNNGSSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cc(C)sn1)C2 ZINC001045933965 692056482 /nfs/dbraw/zinc/05/64/82/692056482.db2.gz LZKHJVZDOCMJEW-KRWDZBQOSA-N 0 3 317.458 2.403 20 30 DEEDHN C#CC[C@@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000886355630 692064668 /nfs/dbraw/zinc/06/46/68/692064668.db2.gz 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/nfs/dbraw/zinc/06/90/08/692069008.db2.gz HFSQNMNGPGWIGF-INIZCTEOSA-N 0 3 321.808 2.279 20 30 DEEDHN C#CCN(C(=O)c1coc2cc(O)ccc12)C1CCN(C)CC1 ZINC000886572151 692113457 /nfs/dbraw/zinc/11/34/57/692113457.db2.gz AFWZUSAAUOTNTQ-UHFFFAOYSA-N 0 3 312.369 2.308 20 30 DEEDHN C#CCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCN(C)CC1 ZINC000886577221 692114901 /nfs/dbraw/zinc/11/49/01/692114901.db2.gz ADFFARKGSSXGFO-UHFFFAOYSA-N 0 3 315.804 2.381 20 30 DEEDHN C#CCN(C(=O)CCCC1CCOCC1)C1CCN(C)CC1 ZINC000886577780 692114993 /nfs/dbraw/zinc/11/49/93/692114993.db2.gz WUDMQDJXAGDIEL-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C(=O)c1cc(C)n([C@@H](C)CC)n1)C1CCN(C)CC1 ZINC000886578600 692115555 /nfs/dbraw/zinc/11/55/55/692115555.db2.gz DGOFDONCHXMDOE-AWEZNQCLSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCN(C(=O)[C@H]1Cc2ccccc2S1)C1CCN(C)CC1 ZINC000886585066 692118445 /nfs/dbraw/zinc/11/84/45/692118445.db2.gz FWQRQVFQICDGNC-QGZVFWFLSA-N 0 3 314.454 2.259 20 30 DEEDHN C#CCN(C(=O)c1cc2c(s1)CCC2)C1CCN(C)CC1 ZINC000886587230 692119751 /nfs/dbraw/zinc/11/97/51/692119751.db2.gz MUAIXOARIGTDDC-UHFFFAOYSA-N 0 3 302.443 2.406 20 30 DEEDHN N#CC1(C[C@H](O)CN2CCC[C@H](c3ncccn3)C2)CCC1 ZINC000886690200 692163138 /nfs/dbraw/zinc/16/31/38/692163138.db2.gz RFBDNVYVDZANKQ-GJZGRUSLSA-N 0 3 300.406 2.101 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001046373340 692170241 /nfs/dbraw/zinc/17/02/41/692170241.db2.gz XVQJPJFNWOWTFZ-GOSISDBHSA-N 0 3 300.402 2.376 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046419991 692181953 /nfs/dbraw/zinc/18/19/53/692181953.db2.gz CGNPFQSMCWGFOX-UXLLHSPISA-N 0 3 302.443 2.456 20 30 DEEDHN C=CCC1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886777109 692188995 /nfs/dbraw/zinc/18/89/95/692188995.db2.gz YOQLIVNVWBXCRP-HNNXBMFYSA-N 0 3 306.362 2.031 20 30 DEEDHN C=CCCN1CC[C@](C)(NC(=O)c2nc3cnccc3s2)C1 ZINC001046469977 692197206 /nfs/dbraw/zinc/19/72/06/692197206.db2.gz DGNMFKIUUJWQNM-INIZCTEOSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001046483240 692201457 /nfs/dbraw/zinc/20/14/57/692201457.db2.gz CIUSQWFXTWMDBE-OAHLLOKOSA-N 0 3 312.364 2.128 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc3ccccc3n2C)C1 ZINC001046586491 692230879 /nfs/dbraw/zinc/23/08/79/692230879.db2.gz RBUQYKRVFBQCJT-IBGZPJMESA-N 0 3 309.413 2.396 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3nsnc32)C1 ZINC001046744597 692282704 /nfs/dbraw/zinc/28/27/04/692282704.db2.gz YKNFKPZMMBYKMP-MRXNPFEDSA-N 0 3 316.430 2.462 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001046870576 692322056 /nfs/dbraw/zinc/32/20/56/692322056.db2.gz PMJDABXXIMUSKR-IBGZPJMESA-N 0 3 313.445 2.360 20 30 DEEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2cnc(COC)s2)C1 ZINC001046873581 692322946 /nfs/dbraw/zinc/32/29/46/692322946.db2.gz HHYKGWMOCANBLS-INIZCTEOSA-N 0 3 323.462 2.450 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001046911081 692328743 /nfs/dbraw/zinc/32/87/43/692328743.db2.gz VZFHWFXBIBDYMN-GFCCVEGCSA-N 0 3 313.348 2.246 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001046919027 692333052 /nfs/dbraw/zinc/33/30/52/692333052.db2.gz NMVCKCOIFNRZHF-LBPRGKRZSA-N 0 3 313.348 2.246 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2coc(C)n2)C1 ZINC001046933020 692337701 /nfs/dbraw/zinc/33/77/01/692337701.db2.gz XOMWOQHZKARDLY-GFCCVEGCSA-N 0 3 313.348 2.246 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CCF)C2 ZINC001047187818 692388955 /nfs/dbraw/zinc/38/89/55/692388955.db2.gz WIFLSRRDLZTJBD-QGTPRVQTSA-N 0 3 314.404 2.149 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)c3cc(C)no3)C2)CC1 ZINC001047225078 692397170 /nfs/dbraw/zinc/39/71/70/692397170.db2.gz OJHDOLDJUYJEIA-MRXNPFEDSA-N 0 3 315.417 2.180 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)c3cccn3C)C2)CC1 ZINC001047224892 692397210 /nfs/dbraw/zinc/39/72/10/692397210.db2.gz LBUQPICYDSSNDQ-KRWDZBQOSA-N 0 3 313.445 2.223 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)Cc3ccco3)C2)CC1 ZINC001047259089 692403706 /nfs/dbraw/zinc/40/37/06/692403706.db2.gz FFCZKHWAEMUMSM-KRWDZBQOSA-N 0 3 314.429 2.406 20 30 DEEDHN C[C@]1(C#N)CN(C(=O)c2cccc(CN3CCCC3)c2)CCO1 ZINC000887673293 692424077 /nfs/dbraw/zinc/42/40/77/692424077.db2.gz RYZQUIWRUFWKFP-SFHVURJKSA-N 0 3 313.401 2.037 20 30 DEEDHN C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001047555729 692437544 /nfs/dbraw/zinc/43/75/44/692437544.db2.gz MTTXPYKEXWFGKX-PMPSAXMXSA-N 0 3 320.433 2.161 20 30 DEEDHN Cc1csc(CN[C@H](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001047846695 692499110 /nfs/dbraw/zinc/49/91/10/692499110.db2.gz FRRINVFPLUDDTL-UKRRQHHQSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](CNCc2ocnc2C)[C@H](C)C1 ZINC001048338526 692600338 /nfs/dbraw/zinc/60/03/38/692600338.db2.gz KBSHPMCDLNNXCX-TZMCWYRMSA-N 0 3 305.422 2.379 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)OC)s2)CC1 ZINC000888901578 692628880 /nfs/dbraw/zinc/62/88/80/692628880.db2.gz OPMWNOMWNNKXLB-UHFFFAOYSA-N 0 3 323.418 2.307 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001048844224 692708613 /nfs/dbraw/zinc/70/86/13/692708613.db2.gz ISRGMQFZNMJYEV-HDICACEKSA-N 0 3 310.441 2.259 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3cccc(CC)c3)C[C@@H]2C1 ZINC001048901355 692719461 /nfs/dbraw/zinc/71/94/61/692719461.db2.gz XBYXHPQCBQLRNX-KDURUIRLSA-N 0 3 310.441 2.205 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(F)c(F)c(F)c3)C[C@@H]2C1 ZINC001049076743 692756795 /nfs/dbraw/zinc/75/67/95/692756795.db2.gz NFTNNVCQUGQKRE-BETUJISGSA-N 0 3 322.330 2.131 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@@H]3C2)c1 ZINC001049080766 692757988 /nfs/dbraw/zinc/75/79/88/692757988.db2.gz YRHLQMUPGJLBCW-KSZLIROESA-N 0 3 321.424 2.249 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C(F)F)cc3F)C[C@@H]2C1 ZINC001049132417 692770772 /nfs/dbraw/zinc/77/07/72/692770772.db2.gz QZLOWATUOUPLJZ-BETUJISGSA-N 0 3 322.330 2.400 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc4[nH]ccc4s3)C[C@@H]2C1 ZINC001049191254 692785866 /nfs/dbraw/zinc/78/58/66/692785866.db2.gz PWOGNVWVESDJRX-BETUJISGSA-N 0 3 313.426 2.257 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3csc4c3CCCC4)C[C@@H]2C1 ZINC001049204485 692789222 /nfs/dbraw/zinc/78/92/22/692789222.db2.gz OSOGEHPQKKGLHK-OKILXGFUSA-N 0 3 314.454 2.264 20 30 DEEDHN C=C[C@@H](C(=O)N1C[C@H]2CN(CC#CC)C[C@H]2C1)c1ccccc1 ZINC001049228285 692794648 /nfs/dbraw/zinc/79/46/48/692794648.db2.gz BOKBOONDEFLFJM-CEXWTWQISA-N 0 3 308.425 2.370 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CCCC1 ZINC001049350321 692850360 /nfs/dbraw/zinc/85/03/60/692850360.db2.gz RJRRSLVWNRKQTQ-DLBZAZTESA-N 0 3 304.434 2.034 20 30 DEEDHN C=C(C)CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnns1 ZINC001049353435 692852103 /nfs/dbraw/zinc/85/21/03/692852103.db2.gz LAOIVSRAVCIMQK-OLZOCXBDSA-N 0 3 306.435 2.183 20 30 DEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc(F)c1 ZINC001049419330 692877380 /nfs/dbraw/zinc/87/73/80/692877380.db2.gz MNOYCTJIIIHVHK-CVEARBPZSA-N 0 3 303.381 2.476 20 30 DEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnnc(C)c1 ZINC001049439459 692883708 /nfs/dbraw/zinc/88/37/08/692883708.db2.gz APFSPNAHPDYRJO-CVEARBPZSA-N 0 3 300.406 2.040 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(CC(C)C)n1 ZINC001049472272 692893095 /nfs/dbraw/zinc/89/30/95/692893095.db2.gz AKDXLWJIFHXDDL-HZPDHXFCSA-N 0 3 316.449 2.473 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccnn1C1CCC1 ZINC001049482729 692896824 /nfs/dbraw/zinc/89/68/24/692896824.db2.gz ZAWKFZFHECUDFB-CVEARBPZSA-N 0 3 314.433 2.473 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)nnc1C ZINC001049497685 692902591 /nfs/dbraw/zinc/90/25/91/692902591.db2.gz IEGUOHVNTRTSDM-IAGOWNOFSA-N 0 3 314.433 2.348 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc(COC)c1 ZINC001049527335 692911801 /nfs/dbraw/zinc/91/18/01/692911801.db2.gz OZURAVBXXPATPX-DLBZAZTESA-N 0 3 315.417 2.093 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc(COC)c1 ZINC001049527338 692912152 /nfs/dbraw/zinc/91/21/52/692912152.db2.gz 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692923580 /nfs/dbraw/zinc/92/35/80/692923580.db2.gz BTAXMZIRYMTUAQ-ZWKOTPCHSA-N 0 3 322.412 2.265 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]nc1C(C)C ZINC001049569969 692925045 /nfs/dbraw/zinc/92/50/45/692925045.db2.gz HWIFAGHPAKCNQK-HUUCEWRRSA-N 0 3 302.422 2.398 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2[nH]ccc2n1 ZINC001049588977 692932436 /nfs/dbraw/zinc/93/24/36/692932436.db2.gz JDJQRQUIVVUCJM-IAGOWNOFSA-N 0 3 310.401 2.428 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1nc(C)cs1 ZINC001049594494 692935623 /nfs/dbraw/zinc/93/56/23/692935623.db2.gz KOJRXNWBSVODDU-GJZGRUSLSA-N 0 3 317.458 2.083 20 30 DEEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049618654 692941449 /nfs/dbraw/zinc/94/14/49/692941449.db2.gz QTIPRWNQKYZXNV-DLBZAZTESA-N 0 3 312.413 2.471 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)nc(OC)c1 ZINC001049674063 692961962 /nfs/dbraw/zinc/96/19/62/692961962.db2.gz BDEASMUTNNCERG-HOTGVXAUSA-N 0 3 315.417 2.264 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC(OC)CC1 ZINC001049676534 692963488 /nfs/dbraw/zinc/96/34/88/692963488.db2.gz OHJYFZJTBXBHAC-HIEASXQVSA-N 0 3 318.461 2.280 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001049715735 692973304 /nfs/dbraw/zinc/97/33/04/692973304.db2.gz XBAGHRWYIYMNEZ-CWRNSKLLSA-N 0 3 314.433 2.081 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2c1OCC2 ZINC001049732555 692979171 /nfs/dbraw/zinc/97/91/71/692979171.db2.gz OIPOHAHFYBSRHU-IRXDYDNUSA-N 0 3 312.413 2.486 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)nn1CC ZINC001049741941 692981679 /nfs/dbraw/zinc/98/16/79/692981679.db2.gz FLJOYUDQYRPQKM-HUUCEWRRSA-N 0 3 302.422 2.076 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001049746795 692984263 /nfs/dbraw/zinc/98/42/63/692984263.db2.gz MEGCFLDKPBINET-RDGPPVDQSA-N 0 3 323.440 2.274 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c(C)noc1Cl ZINC001049784561 693000536 /nfs/dbraw/zinc/00/05/36/693000536.db2.gz 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/nfs/dbraw/zinc/04/58/24/693045824.db2.gz CQKFOHDERSEMEZ-SJORKVTESA-N 0 3 324.428 2.357 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C3CC4(C3)CCOCC4)[C@@H]2C1 ZINC001050183229 693131765 /nfs/dbraw/zinc/13/17/65/693131765.db2.gz VLKMNDNPELFMKH-DOTOQJQBSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C3CCOCC3)[C@@H]2C1 ZINC001050219043 693141977 /nfs/dbraw/zinc/14/19/77/693141977.db2.gz UOJFFRHJALECOP-BHYGNILZSA-N 0 3 306.450 2.158 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000932272736 694585094 /nfs/dbraw/zinc/58/50/94/694585094.db2.gz JZBGMIVHVQMPRN-HNNXBMFYSA-N 0 3 313.401 2.267 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC001050409210 693176227 /nfs/dbraw/zinc/17/62/27/693176227.db2.gz QMLADDCSNPQTET-UHFFFAOYSA-N 0 3 300.377 2.387 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccoc3CC)C2)CC1 ZINC001050503773 693197473 /nfs/dbraw/zinc/19/74/73/693197473.db2.gz HALDZQLQYZGCOS-UHFFFAOYSA-N 0 3 300.402 2.403 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)C(C)(C)[C@H]3CCCCO3)C2)CC1 ZINC001050518385 693198973 /nfs/dbraw/zinc/19/89/73/693198973.db2.gz BAZBFZJANWUEAO-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC001050561830 693207023 /nfs/dbraw/zinc/20/70/23/693207023.db2.gz GLTPKMHCROHWEK-JKSUJKDBSA-N 0 3 314.454 2.409 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CC3CC(F)(F)C3)C2)CC1 ZINC001050569951 693208499 /nfs/dbraw/zinc/20/84/99/693208499.db2.gz PSUKEDAADWTONQ-UHFFFAOYSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)COC3CCCCC3)C2)CC1 ZINC001050576231 693209511 /nfs/dbraw/zinc/20/95/11/693209511.db2.gz LSKBIMOYEOGRJN-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3c(F)cccc3F)C2)CC1 ZINC001050739667 693242002 /nfs/dbraw/zinc/24/20/02/693242002.db2.gz VXKOLJNQHOIKKT-UHFFFAOYSA-N 0 3 304.340 2.136 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCc3nccs3)C2)CC1 ZINC001050759315 693245675 /nfs/dbraw/zinc/24/56/75/693245675.db2.gz CCBSSNDSCKIPHW-UHFFFAOYSA-N 0 3 317.458 2.023 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3sccc3CC)C2)CC1 ZINC001050763544 693246248 /nfs/dbraw/zinc/24/62/48/693246248.db2.gz SWKKWXFLJRXPRI-UHFFFAOYSA-N 0 3 302.443 2.482 20 30 DEEDHN C=CCCC[C@@H]1NC(=O)N(C[C@@H]2CCCCN2C2CC2)C1=O ZINC000925383859 693264675 /nfs/dbraw/zinc/26/46/75/693264675.db2.gz YMCKNFJTUWJGEC-GJZGRUSLSA-N 0 3 305.422 2.280 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)[C@H]3CCOC3)cccc2C1 ZINC001051281066 693327303 /nfs/dbraw/zinc/32/73/03/693327303.db2.gz DXCXHFJLIJDZLS-KRWDZBQOSA-N 0 3 314.429 2.274 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001051314869 693337327 /nfs/dbraw/zinc/33/73/27/693337327.db2.gz SWNPIBHTTYCOQA-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)CC1 ZINC001051977877 693422667 /nfs/dbraw/zinc/42/26/67/693422667.db2.gz IUDNNKUDQLGWPU-QZTJIDSGSA-N 0 3 317.477 2.137 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051985250 693423855 /nfs/dbraw/zinc/42/38/55/693423855.db2.gz 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CC#CCN1CCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC001052522573 693557278 /nfs/dbraw/zinc/55/72/78/693557278.db2.gz MFWLDHKLXZBXEY-CQSZACIVSA-N 0 3 316.449 2.315 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC001052540922 693563059 /nfs/dbraw/zinc/56/30/59/693563059.db2.gz PPAJJGMRKNYAMB-QGZVFWFLSA-N 0 3 314.429 2.150 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cnc(CC3CC3)s2)CC1 ZINC001052586992 693573229 /nfs/dbraw/zinc/57/32/29/693573229.db2.gz MBKWDMFJDWSJTE-CQSZACIVSA-N 0 3 317.458 2.313 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cn(C(C)C)cn2)CC1 ZINC001052590725 693573338 /nfs/dbraw/zinc/57/33/38/693573338.db2.gz FKWLWCFPJDRMJS-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C)cn3ccnc23)CC1 ZINC001052589298 693573916 /nfs/dbraw/zinc/57/39/16/693573916.db2.gz GQHJIYLZJBORBZ-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2occ3c2CCC3)CC1 ZINC001052595061 693575566 /nfs/dbraw/zinc/57/55/66/693575566.db2.gz PRHDGJYCVFBJDE-OAHLLOKOSA-N 0 3 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KDTSGGFTFJCWQJ-IXDOHACOSA-N 0 3 319.449 2.132 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccccc2OCC)CC1 ZINC001052905225 693645381 /nfs/dbraw/zinc/64/53/81/693645381.db2.gz GZYHAWCIJMQLMS-HNNXBMFYSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc3cnccc32)CC1 ZINC001052938980 693651952 /nfs/dbraw/zinc/65/19/52/693651952.db2.gz IFSHAIGFSCNIBI-MRXNPFEDSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)CC1 ZINC001052961005 693657389 /nfs/dbraw/zinc/65/73/89/693657389.db2.gz FSMVOGFFTXZJSN-HNNXBMFYSA-N 0 3 317.408 2.109 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(OC(C)C)cn2)CC1 ZINC001052982578 693661020 /nfs/dbraw/zinc/66/10/20/693661020.db2.gz YKDJWLOQVYJRGV-OAHLLOKOSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CSC)C1 ZINC001053063211 693680310 /nfs/dbraw/zinc/68/03/10/693680310.db2.gz JFWVXYMKEUVOJG-HOTGVXAUSA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ncc[nH]2)C1 ZINC001053084672 693686128 /nfs/dbraw/zinc/68/61/28/693686128.db2.gz VEDUNGRFAYXNLW-HOTGVXAUSA-N 0 3 314.433 2.140 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2oncc2C)C1 ZINC001053103353 693689882 /nfs/dbraw/zinc/68/98/82/693689882.db2.gz GDIJUHQQIXOXGT-HZPDHXFCSA-N 0 3 315.417 2.323 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2)C1 ZINC001332046940 1149812815 /nfs/dbraw/zinc/81/28/15/1149812815.db2.gz HTZMYKQKXPPEAG-BBRMVZONSA-N 0 3 320.820 2.182 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001332379853 1149855282 /nfs/dbraw/zinc/85/52/82/1149855282.db2.gz LPZVPDZWQIXQIU-KRWDZBQOSA-N 0 3 318.461 2.231 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1n[nH]c2c1CCC2)C(C)C ZINC001332711557 1149883197 /nfs/dbraw/zinc/88/31/97/1149883197.db2.gz SLJGSIMGUDGMOC-UHFFFAOYSA-N 0 3 304.438 2.257 20 30 DEEDHN CN(C(=O)Cc1ccco1)C1CC(NCC#Cc2ccccc2)C1 ZINC001333131505 1150004939 /nfs/dbraw/zinc/00/49/39/1150004939.db2.gz VYZMGLJERGQSSX-UHFFFAOYSA-N 0 3 322.408 2.453 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCC(=O)OC)C1 ZINC001333755474 1150087146 /nfs/dbraw/zinc/08/71/46/1150087146.db2.gz ZBPPWOHKPLIZBD-HNNXBMFYSA-N 0 3 305.374 2.015 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001343432291 1150741565 /nfs/dbraw/zinc/74/15/65/1150741565.db2.gz JZNAETKUHNNEJT-KRWDZBQOSA-N 0 3 324.428 2.441 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001345418447 1150888370 /nfs/dbraw/zinc/88/83/70/1150888370.db2.gz FVZRIKFMEIEHFB-OAGGEKHMSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)c1ccc(F)c(Br)c1 ZINC001348973283 1151214952 /nfs/dbraw/zinc/21/49/52/1151214952.db2.gz PNOHRDAJPKNNPZ-MFKMUULPSA-N 0 3 318.186 2.412 20 30 DEEDHN C#CCOc1cccc(NC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001350031157 1151318096 /nfs/dbraw/zinc/31/80/96/1151318096.db2.gz IKQRUEOXBKOQFR-HNNXBMFYSA-N 0 3 301.390 2.304 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001351863237 1151624087 /nfs/dbraw/zinc/62/40/87/1151624087.db2.gz ZHEZYAXXLXCRPW-RRFJBIMHSA-N 0 3 321.444 2.458 20 30 DEEDHN COC1(CC(=O)NC[C@@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001480452085 1151813846 /nfs/dbraw/zinc/81/38/46/1151813846.db2.gz IBGVWXWMHCFTMD-GFCCVEGCSA-N 0 3 321.446 2.173 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC001354370066 1151890028 /nfs/dbraw/zinc/89/00/28/1151890028.db2.gz MIQZKQWXAMRVSM-DYVFJYSZSA-N 0 3 304.390 2.016 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC001354370063 1151890224 /nfs/dbraw/zinc/89/02/24/1151890224.db2.gz MIQZKQWXAMRVSM-CXAGYDPISA-N 0 3 304.390 2.016 20 30 DEEDHN C=C1CC(C)(C(=O)N(CCC)CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001356503808 1152085676 /nfs/dbraw/zinc/08/56/76/1152085676.db2.gz ZBFQKUGGYPTQSG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cnc(C)o2)CCCC1 ZINC001378691273 1152416553 /nfs/dbraw/zinc/41/65/53/1152416553.db2.gz IUFQWOXMJFMRQC-UHFFFAOYSA-N 0 3 311.813 2.297 20 30 DEEDHN Cc1cc(CNC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)sn1 ZINC001380058034 1152741212 /nfs/dbraw/zinc/74/12/12/1152741212.db2.gz DBNOEAVGXFKQBT-GXFFZTMASA-N 0 3 308.451 2.232 20 30 DEEDHN CO[C@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001380059905 1152741879 /nfs/dbraw/zinc/74/18/79/1152741879.db2.gz YHKYCXOGYUDBSS-BXUZGUMPSA-N 0 3 323.462 2.275 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC2(NCc3cccc(F)c3)CC2)c1 ZINC001380069983 1152744637 /nfs/dbraw/zinc/74/46/37/1152744637.db2.gz GPDWQCSHYKZILM-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN Cc1ncsc1CN1CCC(C)(CNC(=O)[C@H](C)C#N)CC1 ZINC001380435771 1152811906 /nfs/dbraw/zinc/81/19/06/1152811906.db2.gz SCDVTXPAURHFEY-GFCCVEGCSA-N 0 3 320.462 2.330 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC001362449999 1152912994 /nfs/dbraw/zinc/91/29/94/1152912994.db2.gz WJWNIQJJKLSSCK-QGPMSJSTSA-N 0 3 311.429 2.358 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)cn2ccnc12 ZINC001381201617 1152949540 /nfs/dbraw/zinc/94/95/40/1152949540.db2.gz PXDWVTYDHJWUJC-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001381483728 1153082094 /nfs/dbraw/zinc/08/20/94/1153082094.db2.gz SIGWKJSOSADNPP-UHFFFAOYSA-N 0 3 323.828 2.103 20 30 DEEDHN CC(C)[C@@H](CCN(C)C(=O)[C@H](C)C#N)NCc1cscn1 ZINC001381723931 1153196436 /nfs/dbraw/zinc/19/64/36/1153196436.db2.gz YAXPYEMPPLRVKF-TZMCWYRMSA-N 0 3 308.451 2.265 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2csnn2)CCCCC1 ZINC001381730907 1153198834 /nfs/dbraw/zinc/19/88/34/1153198834.db2.gz YYVIHEDJTKNHSZ-UHFFFAOYSA-N 0 3 314.842 2.313 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(C#N)c2)C1 ZINC001363205181 1153267158 /nfs/dbraw/zinc/26/71/58/1153267158.db2.gz GPGMNTLVXXKRRJ-CVEARBPZSA-N 0 3 316.401 2.255 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001382081821 1153350300 /nfs/dbraw/zinc/35/03/00/1153350300.db2.gz WUKXQAQJTQAFSU-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C#N)N(C)C)cc1 ZINC001363373926 1153368732 /nfs/dbraw/zinc/36/87/32/1153368732.db2.gz JPYFXMHAPQULHJ-OIISXLGYSA-N 0 3 315.417 2.352 20 30 DEEDHN Cc1noc(C)c1CN1CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC1 ZINC001382555798 1153469499 /nfs/dbraw/zinc/46/94/99/1153469499.db2.gz FYYJNFXYUVITFB-VXGBXAGGSA-N 0 3 318.421 2.168 20 30 DEEDHN CN1C[C@H](NC(=O)c2cccc(SCC#N)c2)C(C)(C)C1 ZINC001363610295 1153485511 /nfs/dbraw/zinc/48/55/11/1153485511.db2.gz AGKLXPFNWFWSJB-AWEZNQCLSA-N 0 3 303.431 2.372 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCc2cccnc2)C1 ZINC001389898319 1155465971 /nfs/dbraw/zinc/46/59/71/1155465971.db2.gz NFRCXJDILZWGAG-SHTZXODSSA-N 0 3 307.825 2.394 20 30 DEEDHN CSC[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001403095886 1162707801 /nfs/dbraw/zinc/70/78/01/1162707801.db2.gz DHSVPJLXTYJHJP-UONOGXRCSA-N 0 3 319.474 2.494 20 30 DEEDHN CCc1onc(C)c1CN1CCC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001390041493 1155507660 /nfs/dbraw/zinc/50/76/60/1155507660.db2.gz GAIVUEPKBFUICL-GXTWGEPZSA-N 0 3 318.421 2.033 20 30 DEEDHN CCc1ocnc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001390350104 1155666741 /nfs/dbraw/zinc/66/67/41/1155666741.db2.gz WOGBWOLVLXXTRB-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN CCc1ocnc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001390350162 1155666942 /nfs/dbraw/zinc/66/69/42/1155666942.db2.gz WOGBWOLVLXXTRB-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001403109706 1162729069 /nfs/dbraw/zinc/72/90/69/1162729069.db2.gz CVQMZVBYTHWKDC-KGLIPLIRSA-N 0 3 301.862 2.048 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCOc1cc(C)ccc1C ZINC001390884917 1155912942 /nfs/dbraw/zinc/91/29/42/1155912942.db2.gz GQPKPCWGOZEWJY-MRXNPFEDSA-N 0 3 317.433 2.280 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001371774611 1156009781 /nfs/dbraw/zinc/00/97/81/1156009781.db2.gz ULPSUMUVGNBAQQ-ZDUSSCGKSA-N 0 3 312.845 2.390 20 30 DEEDHN CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(CCc2scnc2C)C1 ZINC001391641518 1156631338 /nfs/dbraw/zinc/63/13/38/1156631338.db2.gz WUBAGVBXLLQVRF-JSGCOSHPSA-N 0 3 320.462 2.077 20 30 DEEDHN Cc1cnc([C@H](C)NC2(CNC(=O)[C@@H](C)C#N)CCCC2)cn1 ZINC001391993828 1156845751 /nfs/dbraw/zinc/84/57/51/1156845751.db2.gz FNDMTJISKMAPLP-JSGCOSHPSA-N 0 3 315.421 2.024 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001392051737 1156857944 /nfs/dbraw/zinc/85/79/44/1156857944.db2.gz BVBSQRXNFPQVCU-BXKDBHETSA-N 0 3 313.373 2.211 20 30 DEEDHN Cc1ncc(CNC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N)s1 ZINC001392149255 1156876339 /nfs/dbraw/zinc/87/63/39/1156876339.db2.gz PKZXGMIRDLOIKF-DGCLKSJQSA-N 0 3 308.451 2.232 20 30 DEEDHN Cc1ccccc1CN(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001392275552 1156967208 /nfs/dbraw/zinc/96/72/08/1156967208.db2.gz YRDUPGLGLAZGOG-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN CN(C/C=C\Cl)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001373319866 1156975620 /nfs/dbraw/zinc/97/56/20/1156975620.db2.gz YAUXWBLRLZOVOC-DJWKRKHSSA-N 0 3 320.824 2.423 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001392551490 1157120860 /nfs/dbraw/zinc/12/08/60/1157120860.db2.gz XMXAUSMJKLEAIM-NSHDSACASA-N 0 3 314.364 2.242 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCCC1 ZINC001373848824 1157404692 /nfs/dbraw/zinc/40/46/92/1157404692.db2.gz OPNKZXUTGYWOTR-CHWSQXEVSA-N 0 3 322.840 2.284 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cn2cccn2)CCCC[C@@H]1C ZINC001373895347 1157441962 /nfs/dbraw/zinc/44/19/62/1157441962.db2.gz JBOXUTXQXJCDER-BBRMVZONSA-N 0 3 324.856 2.290 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)Cc1cccnc1 ZINC001374004682 1157539787 /nfs/dbraw/zinc/53/97/87/1157539787.db2.gz CSRMLGVTAUTZHM-HNNXBMFYSA-N 0 3 322.412 2.038 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001392995404 1157596075 /nfs/dbraw/zinc/59/60/75/1157596075.db2.gz WYHYWTBTELQVQO-MRXNPFEDSA-N 0 3 313.873 2.004 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]cn1 ZINC001374392503 1157836694 /nfs/dbraw/zinc/83/66/94/1157836694.db2.gz GJDBUYMWELGDHK-WFASDCNBSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)COC1CCCC1)C(C)C ZINC001374408665 1157844289 /nfs/dbraw/zinc/84/42/89/1157844289.db2.gz DWYWAHWCNGKVAU-CQSZACIVSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(CC)nnc2C)C1 ZINC001393899091 1158053949 /nfs/dbraw/zinc/05/39/49/1158053949.db2.gz KNOAOLYNLQMMMF-UHFFFAOYSA-N 0 3 322.840 2.198 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H](C)NC(=O)C1CCC1 ZINC001393909700 1158061135 /nfs/dbraw/zinc/06/11/35/1158061135.db2.gz LPMQRBQATPPPDC-STQMWFEESA-N 0 3 315.417 2.350 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1ccn(C)c1 ZINC001393942761 1158088123 /nfs/dbraw/zinc/08/81/23/1158088123.db2.gz YUQQKMCVEFTHDI-VXGBXAGGSA-N 0 3 316.430 2.255 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001394099250 1158275115 /nfs/dbraw/zinc/27/51/15/1158275115.db2.gz KRAYGYNZIKMOQN-BBRMVZONSA-N 0 3 321.396 2.274 20 30 DEEDHN Cc1nocc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375097351 1158311938 /nfs/dbraw/zinc/31/19/38/1158311938.db2.gz GVNIPPAIDBRMME-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001394368322 1158434749 /nfs/dbraw/zinc/43/47/49/1158434749.db2.gz XLVNOAKHACZYPT-MGCOHNPYSA-N 0 3 317.220 2.222 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001375457967 1158710007 /nfs/dbraw/zinc/71/00/07/1158710007.db2.gz KRKLWBYLCUMQDK-OAHLLOKOSA-N 0 3 303.381 2.291 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001375484901 1158750592 /nfs/dbraw/zinc/75/05/92/1158750592.db2.gz QSINWRVJUJXTHK-FPMFFAJLSA-N 0 3 318.421 2.251 20 30 DEEDHN Cc1noc(C)c1CNC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001394811388 1158800295 /nfs/dbraw/zinc/80/02/95/1158800295.db2.gz NFTPERUBSDWAGS-QMTHXVAHSA-N 0 3 306.410 2.072 20 30 DEEDHN COCCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC001394810072 1158800503 /nfs/dbraw/zinc/80/05/03/1158800503.db2.gz CJWYUTIVLVJQCS-AWEZNQCLSA-N 0 3 323.462 2.277 20 30 DEEDHN COCCC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC001375730570 1158856348 /nfs/dbraw/zinc/85/63/48/1158856348.db2.gz BEQGTTGTFDPVLN-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN CC(C)OCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001375734389 1158857634 /nfs/dbraw/zinc/85/76/34/1158857634.db2.gz CZLOWRQIWXKWEA-ZDUSSCGKSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001376239299 1159270748 /nfs/dbraw/zinc/27/07/48/1159270748.db2.gz IOUREYWDFMQPCE-XNJJOIOASA-N 0 3 315.392 2.338 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccn1)NCc1ccc(C#N)c(F)c1 ZINC001376676931 1159669377 /nfs/dbraw/zinc/66/93/77/1159669377.db2.gz DYYVBQMRBSTKRD-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001377111971 1159909948 /nfs/dbraw/zinc/90/99/48/1159909948.db2.gz RHVZUASHPRYZNB-LLVKDONJSA-N 0 3 323.824 2.126 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)OCC(C)C)C1 ZINC001397636337 1160376419 /nfs/dbraw/zinc/37/64/19/1160376419.db2.gz UPYQKLTVTAZXCN-IHRRRGAJSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1OCC ZINC001397734319 1160425666 /nfs/dbraw/zinc/42/56/66/1160425666.db2.gz SZEYEJWFPXKEPU-VXGBXAGGSA-N 0 3 324.799 2.237 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CCN1CCOc1ccccc1 ZINC001397739879 1160434056 /nfs/dbraw/zinc/43/40/56/1160434056.db2.gz WTRXXNHJVRWAPG-BHYGNILZSA-N 0 3 315.417 2.194 20 30 DEEDHN C[C@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001377777614 1160819256 /nfs/dbraw/zinc/81/92/56/1160819256.db2.gz DPAZTKZDOJSIRB-IUCAKERBSA-N 0 3 315.204 2.302 20 30 DEEDHN CS[C@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001398485914 1160915136 /nfs/dbraw/zinc/91/51/36/1160915136.db2.gz JLGPQQHZZPUMEU-NEPJUHHUSA-N 0 3 323.487 2.452 20 30 DEEDHN C[C@H](CNC(=O)COC1CCCC1)NCc1ccc(C#N)s1 ZINC001398858252 1161125501 /nfs/dbraw/zinc/12/55/01/1161125501.db2.gz RORUXMRDCQTOKM-GFCCVEGCSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccn2nccc12 ZINC001399382888 1161372458 /nfs/dbraw/zinc/37/24/58/1161372458.db2.gz GSQJIZHDHPQGLA-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C(C)C)nn1C ZINC001399394108 1161376437 /nfs/dbraw/zinc/37/64/37/1161376437.db2.gz FPRZEUGWSGZABJ-GFCCVEGCSA-N 0 3 312.845 2.394 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(NC(C)=O)cc1 ZINC001399417275 1161384386 /nfs/dbraw/zinc/38/43/86/1161384386.db2.gz HLYWMQUKSRAONU-GFCCVEGCSA-N 0 3 323.824 2.496 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cccnc1OC)C1CC1 ZINC001401009349 1161859706 /nfs/dbraw/zinc/85/97/06/1161859706.db2.gz NOZGAEXEPFAVLG-MRXNPFEDSA-N 0 3 323.824 2.331 20 30 DEEDHN Cc1cncc(C(=O)NC[C@H](C)CNCc2ccccc2C#N)c1 ZINC001401109762 1161875145 /nfs/dbraw/zinc/87/51/45/1161875145.db2.gz OWIMNDHMOFAFSX-OAHLLOKOSA-N 0 3 322.412 2.417 20 30 DEEDHN CCC[C@@H](OC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001401239194 1161901133 /nfs/dbraw/zinc/90/11/33/1161901133.db2.gz IVLLBKRLYUNOFB-IUODEOHRSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)[C@H]1CC12CC2 ZINC001401240093 1161901737 /nfs/dbraw/zinc/90/17/37/1161901737.db2.gz FZTBBKDWMQQUNZ-SWLSCSKDSA-N 0 3 315.392 2.434 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001401738408 1162101563 /nfs/dbraw/zinc/10/15/63/1162101563.db2.gz VJEHIXZQZYAQFF-KBPBESRZSA-N 0 3 319.474 2.494 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccns1)C1CCCC1 ZINC001402093208 1162244906 /nfs/dbraw/zinc/24/49/06/1162244906.db2.gz MZWXPXXVAXISKM-SMDDNHRTSA-N 0 3 306.435 2.067 20 30 DEEDHN CCN(CCNC(=O)c1cc[nH]c1C)Cc1ccc(C#N)cc1 ZINC001492935560 1163814420 /nfs/dbraw/zinc/81/44/20/1163814420.db2.gz YXWONFZBEXJLLF-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CC[C@H](CNC(=O)Cc1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001405332812 1164053662 /nfs/dbraw/zinc/05/36/62/1164053662.db2.gz AYYFMHGWEKEVRO-GFCCVEGCSA-N 0 3 316.430 2.175 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@H](C)CO2)CCCC1 ZINC001405385869 1164069031 /nfs/dbraw/zinc/06/90/31/1164069031.db2.gz LDESXTDECHGNEO-YPMHNXCESA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)c2cnn(C)c2)CCCC1 ZINC001405419155 1164081825 /nfs/dbraw/zinc/08/18/25/1164081825.db2.gz GRGXGNGEZJMOFC-CYBMUJFWSA-N 0 3 324.856 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCOCC1)C(C)C ZINC001406011910 1164387221 /nfs/dbraw/zinc/38/72/21/1164387221.db2.gz CMRUWAABXDVVRU-KGLIPLIRSA-N 0 3 302.846 2.286 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406597781 1164716886 /nfs/dbraw/zinc/71/68/86/1164716886.db2.gz DMFHHYZPSJHXCN-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001417898243 1167291217 /nfs/dbraw/zinc/29/12/17/1167291217.db2.gz HWRRHAFUKZWEDG-HUUCEWRRSA-N 0 3 324.856 2.303 20 30 DEEDHN Cc1ncsc1CN1CCC2(C[C@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001417957171 1167326759 /nfs/dbraw/zinc/32/67/59/1167326759.db2.gz SRKVKSQBJIFFSV-SMDDNHRTSA-N 0 3 318.446 2.082 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418127686 1167428556 /nfs/dbraw/zinc/42/85/56/1167428556.db2.gz RACIBWMQVCLVAO-UKRRQHHQSA-N 0 3 303.381 2.314 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)CC2(C)CC2)cc1C#N ZINC001418258789 1167525856 /nfs/dbraw/zinc/52/58/56/1167525856.db2.gz VGGYFKQYNUURQQ-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@H](CCNC(=O)Cc1ccco1)NCc1ccccc1C#N ZINC001418423911 1167644282 /nfs/dbraw/zinc/64/42/82/1167644282.db2.gz YSNRFOUKEYHIAF-CQSZACIVSA-N 0 3 311.385 2.378 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)CCOc1cc(C)cc(C)c1 ZINC001418543015 1167801509 /nfs/dbraw/zinc/80/15/09/1167801509.db2.gz ZCFBEUXNIVXLCE-INIZCTEOSA-N 0 3 317.433 2.280 20 30 DEEDHN CCCC(=O)NC[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC001418604782 1167839193 /nfs/dbraw/zinc/83/91/93/1167839193.db2.gz VSSVIQBPIYJBSG-INIZCTEOSA-N 0 3 315.417 2.470 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@H]2CCCO2)C1 ZINC001418665656 1167873044 /nfs/dbraw/zinc/87/30/44/1167873044.db2.gz QKLTWKVNCUOYRT-MGPQQGTHSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2c(C)noc2C)C1 ZINC001418707700 1167899754 /nfs/dbraw/zinc/89/97/54/1167899754.db2.gz VSCWPFZVPLULFA-JOCQHMNTSA-N 0 3 311.813 2.071 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cnns1 ZINC001419068959 1168174997 /nfs/dbraw/zinc/17/49/97/1168174997.db2.gz PJZRDMVFMZHXHD-MNOVXSKESA-N 0 3 314.842 2.263 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001419074828 1168180073 /nfs/dbraw/zinc/18/00/73/1168180073.db2.gz CQPAVECFMIYXEM-UKRRQHHQSA-N 0 3 324.856 2.454 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001419092040 1168195849 /nfs/dbraw/zinc/19/58/49/1168195849.db2.gz XZKHQQKHSSWNGD-YOEHRIQHSA-N 0 3 317.408 2.499 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)N(C)C(=O)C(C)C ZINC001419646062 1168743515 /nfs/dbraw/zinc/74/35/15/1168743515.db2.gz DKUUCIIIRPJHGQ-ZDUSSCGKSA-N 0 3 303.406 2.159 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C(C)C ZINC001419915722 1168920284 /nfs/dbraw/zinc/92/02/84/1168920284.db2.gz TUJQDRIRYOXWST-LZWOXQAQSA-N 0 3 314.857 2.429 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001420764254 1171125483 /nfs/dbraw/zinc/12/54/83/1171125483.db2.gz ITLMLZXLCBDGAG-ZBFHGGJFSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cnc2n1CCC2)C1CC1 ZINC001421550509 1171844057 /nfs/dbraw/zinc/84/40/57/1171844057.db2.gz AXIWTUIXGVUBGI-MRXNPFEDSA-N 0 3 322.840 2.070 20 30 DEEDHN CN(CCc1ccccc1)CCN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001422154646 1172354424 /nfs/dbraw/zinc/35/44/24/1172354424.db2.gz BFJRTAJPBQSZRZ-UHFFFAOYSA-N 0 3 310.401 2.133 20 30 DEEDHN C[C@@H]([N-]C(=O)C(C)(F)F)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001422298338 1172465151 /nfs/dbraw/zinc/46/51/51/1172465151.db2.gz PMLLARQTURLNBX-NXEZZACHSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001422320048 1172488779 /nfs/dbraw/zinc/48/87/79/1172488779.db2.gz IGLADMLNBPNMRD-BDAKNGLRSA-N 0 3 315.204 2.302 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnc2n1CCC2 ZINC001422437581 1172591412 /nfs/dbraw/zinc/59/14/12/1172591412.db2.gz CHUWSECBBHJGFR-UHFFFAOYSA-N 0 3 324.856 2.270 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@](C)(O)C1CC1 ZINC001422447720 1172600026 /nfs/dbraw/zinc/60/00/26/1172600026.db2.gz UOCXMCUYDQIBIC-INIZCTEOSA-N 0 3 316.873 2.364 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC001422493964 1172646802 /nfs/dbraw/zinc/64/68/02/1172646802.db2.gz KBYFWTPPNHYTGJ-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001423035099 1173031978 /nfs/dbraw/zinc/03/19/78/1173031978.db2.gz STEBUXCENQFZCZ-NEPJUHHUSA-N 0 3 323.437 2.385 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3nccs3)CC2)c1 ZINC001423285111 1173205575 /nfs/dbraw/zinc/20/55/75/1173205575.db2.gz QLJHNDOFUQYIOA-UHFFFAOYSA-N 0 3 312.398 2.067 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001423345749 1173273387 /nfs/dbraw/zinc/27/33/87/1173273387.db2.gz SBOLITCHCZDTIL-LSBZLQRGSA-N 0 3 322.412 2.331 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)c2ccsc2)CC1 ZINC001424526378 1173820268 /nfs/dbraw/zinc/82/02/68/1173820268.db2.gz FUNJOSAQJPYTMO-UHFFFAOYSA-N 0 3 314.838 2.057 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2conc2C2CC2)C1 ZINC001424738481 1173892992 /nfs/dbraw/zinc/89/29/92/1173892992.db2.gz AWHWODYAZQJOOK-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(C#N)s2)no1 ZINC001424740318 1173893672 /nfs/dbraw/zinc/89/36/72/1173893672.db2.gz BGQIBIOAFBGCLH-GHMZBOCLSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001424795378 1173936981 /nfs/dbraw/zinc/93/69/81/1173936981.db2.gz TVESMTVPURIANQ-OLZOCXBDSA-N 0 3 312.845 2.162 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccnnc2)CCCCC1 ZINC001425179106 1174211716 /nfs/dbraw/zinc/21/17/16/1174211716.db2.gz YCAICRXMMLYWPC-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN Cc1cccnc1CN1CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001426193616 1174640356 /nfs/dbraw/zinc/64/03/56/1174640356.db2.gz QXWCLQPVWBLVKN-GJZGRUSLSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccc(OC)cc2)C1 ZINC001436370813 1179065976 /nfs/dbraw/zinc/06/59/76/1179065976.db2.gz YEKGUHUIPCJNJR-GASCZTMLSA-N 0 3 322.836 2.475 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)COC)C1 ZINC001436472872 1179128568 /nfs/dbraw/zinc/12/85/68/1179128568.db2.gz NEHRPMPVHJNCSY-OCCSQVGLSA-N 0 3 302.846 2.382 20 30 DEEDHN Cc1noc(C)c1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001437104266 1179411791 /nfs/dbraw/zinc/41/17/91/1179411791.db2.gz DGWSNIYTMMJFCK-VIFPVBQESA-N 0 3 318.402 2.133 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CN(C)c1ccccc1 ZINC001437424465 1179800068 /nfs/dbraw/zinc/80/00/68/1179800068.db2.gz AIPMOFOQAGFPSF-CQSZACIVSA-N 0 3 309.841 2.360 20 30 DEEDHN Cc1ncsc1CNC[C@H](CC(C)C)NC(=O)[C@@H](C)C#N ZINC001438721726 1180791466 /nfs/dbraw/zinc/79/14/66/1180791466.db2.gz FSSGHFWNJYSOIS-AAEUAGOBSA-N 0 3 308.451 2.232 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001439095248 1180881595 /nfs/dbraw/zinc/88/15/95/1180881595.db2.gz UORBGDFJOLJERC-GHMZBOCLSA-N 0 3 309.410 2.043 20 30 DEEDHN COc1cc(CN(C)C[C@H](C)NC(=O)[C@H](C)C#N)ccc1Cl ZINC001439314294 1181014319 /nfs/dbraw/zinc/01/43/19/1181014319.db2.gz QDKYNRDBMIQARY-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN CC(C)C(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001439450031 1181092062 /nfs/dbraw/zinc/09/20/62/1181092062.db2.gz PSIDPRKBUUEPCK-MRXNPFEDSA-N 0 3 303.381 2.338 20 30 DEEDHN Cc1cncc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)c1 ZINC001439598557 1181163958 /nfs/dbraw/zinc/16/39/58/1181163958.db2.gz PDKHSVPMHVJXEX-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](NCc1ccccc1Cl)C1CC1 ZINC001441179493 1181885797 /nfs/dbraw/zinc/88/57/97/1181885797.db2.gz WGMJMMVZXNGDEN-ABAIWWIYSA-N 0 3 305.809 2.484 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NCc1ccc(F)c(C#N)c1 ZINC001441601697 1182084349 /nfs/dbraw/zinc/08/43/49/1182084349.db2.gz ZMASYGDOCCBAKR-LALPHHSUSA-N 0 3 303.381 2.290 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NCc1ccc(F)c(F)c1 ZINC001441804638 1182170264 /nfs/dbraw/zinc/17/02/64/1182170264.db2.gz XOQMTRGCBAUHIK-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1coc(CC2CC2)n1 ZINC001442330897 1182422329 /nfs/dbraw/zinc/42/23/29/1182422329.db2.gz ZSARLYTUTJHLSW-LLVKDONJSA-N 0 3 311.813 2.478 20 30 DEEDHN Cc1cccc(OCCN(CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001442996521 1182822776 /nfs/dbraw/zinc/82/27/76/1182822776.db2.gz SAWYTGLXYWKSFC-HNNXBMFYSA-N 0 3 315.417 2.114 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cn1nc(C)cc1C)C1CC1 ZINC001444110477 1183288694 /nfs/dbraw/zinc/28/86/94/1183288694.db2.gz DHIUXJPAAYLCGR-INIZCTEOSA-N 0 3 324.856 2.127 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)CNCc1nsc2ccccc12 ZINC001444314245 1183343545 /nfs/dbraw/zinc/34/35/45/1183343545.db2.gz XEZOOUHKQJATIB-NWDGAFQWSA-N 0 3 316.430 2.298 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cccn1C ZINC001444572377 1183460943 /nfs/dbraw/zinc/46/09/43/1183460943.db2.gz DNGBPRDDPSOHCW-GFCCVEGCSA-N 0 3 316.430 2.209 20 30 DEEDHN COc1ccc(F)cc1CN[C@H](CNC(=O)[C@@H](C)C#N)C(C)C ZINC001444859382 1183599177 /nfs/dbraw/zinc/59/91/77/1183599177.db2.gz IHFIXIPGMFKXDQ-SWLSCSKDSA-N 0 3 321.396 2.224 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1c(C)noc1C)C(C)C ZINC001444929547 1183652762 /nfs/dbraw/zinc/65/27/62/1183652762.db2.gz CHICSLHAAHBFTG-AWEZNQCLSA-N 0 3 313.829 2.317 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H]1CCCOC1)C(C)C ZINC001444930416 1183653639 /nfs/dbraw/zinc/65/36/39/1183653639.db2.gz LAUKHHFYADESTI-KGLIPLIRSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CCOCC1 ZINC001445447364 1183875395 /nfs/dbraw/zinc/87/53/95/1183875395.db2.gz NVNRHJRQZFODMO-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1cc(C(=O)NCC2(NCc3ccsc3)CC2)c[nH]1 ZINC001446160758 1184254601 /nfs/dbraw/zinc/25/46/01/1184254601.db2.gz CGBAFVCMXUIVAX-UHFFFAOYSA-N 0 3 300.387 2.000 20 30 DEEDHN Cc1ccc(CNC2(CNC(=O)c3ccc(C#N)[nH]3)CC2)cc1 ZINC001446161846 1184255032 /nfs/dbraw/zinc/25/50/32/1184255032.db2.gz DREQRUNJUADQFF-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)CCCF)CC2)cc1F ZINC001446220342 1184272345 /nfs/dbraw/zinc/27/23/45/1184272345.db2.gz DHTJXVAJXZEKAW-UHFFFAOYSA-N 0 3 307.344 2.185 20 30 DEEDHN CC[C@H](F)CN1CCC(C)(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001446624618 1184457560 /nfs/dbraw/zinc/45/75/60/1184457560.db2.gz SYKHMLQGAWYBJB-AWEZNQCLSA-N 0 3 320.412 2.466 20 30 DEEDHN C=C(Cl)CN1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001446667401 1184485709 /nfs/dbraw/zinc/48/57/09/1184485709.db2.gz SHZHRZIHZBLPNH-ZBFHGGJFSA-N 0 3 313.873 2.051 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC001446971875 1184596733 /nfs/dbraw/zinc/59/67/33/1184596733.db2.gz XMTLEYFAXQPDBD-MGPQQGTHSA-N 0 3 320.462 2.315 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001447736334 1184852941 /nfs/dbraw/zinc/85/29/41/1184852941.db2.gz CZGJXIOKCSEXRQ-UHFFFAOYSA-N 0 3 324.856 2.347 20 30 DEEDHN CCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C#N)ccc1OC ZINC001447823812 1184883866 /nfs/dbraw/zinc/88/38/66/1184883866.db2.gz QEOBMIRWYPGIRC-STQMWFEESA-N 0 3 303.406 2.350 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)on1 ZINC001447989831 1185003619 /nfs/dbraw/zinc/00/36/19/1185003619.db2.gz ZZTUTQOMUQNHQM-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN COc1cc(CN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)ccc1C ZINC001447992731 1185006315 /nfs/dbraw/zinc/00/63/15/1185006315.db2.gz IRGMHUACVAADCQ-UONOGXRCSA-N 0 3 303.406 2.100 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnccn2)CCCCC1 ZINC001448214039 1185116689 /nfs/dbraw/zinc/11/66/89/1185116689.db2.gz QFCOMFGMOUUSLK-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(/C=C/C(=O)OC)o1 ZINC001448874455 1185444389 /nfs/dbraw/zinc/44/43/89/1185444389.db2.gz QVEXPTKQTWUSPL-CSKARUKUSA-N 0 3 320.389 2.046 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001448885040 1185446860 /nfs/dbraw/zinc/44/68/60/1185446860.db2.gz VJBOXXMVIIPDGW-UHFFFAOYSA-N 0 3 309.341 2.314 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001449364128 1185679024 /nfs/dbraw/zinc/67/90/24/1185679024.db2.gz FTHSJBBVNAUJTG-AWEZNQCLSA-N 0 3 315.889 2.297 20 30 DEEDHN O=C(OCCC#Cc1ccccc1)C1CCCN(C2CC2)C1=O ZINC001347287066 1151053960 /nfs/dbraw/zinc/05/39/60/1151053960.db2.gz YRVHGIBANCYVJN-KRWDZBQOSA-N 0 3 311.381 2.372 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CC[C@H]3CCCO3)CCC[C@H]12 ZINC001332068336 1149815676 /nfs/dbraw/zinc/81/56/76/1149815676.db2.gz IJXAQGHNTJSOFM-SOLBZPMBSA-N 0 3 304.434 2.082 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CC[C@@H]3CCCO3)CCC[C@H]12 ZINC001332068339 1149815798 /nfs/dbraw/zinc/81/57/98/1149815798.db2.gz IJXAQGHNTJSOFM-XYJFISCASA-N 0 3 304.434 2.082 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)/C=C\c2ccc[nH]2)[C@H]1C ZINC001332176143 1149830020 /nfs/dbraw/zinc/83/00/20/1149830020.db2.gz LFJBQCDJDKDLKY-OSSRSAFMSA-N 0 3 317.433 2.200 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(C)noc3C(F)F)C2)C1 ZINC001072844764 790270030 /nfs/dbraw/zinc/27/00/30/790270030.db2.gz NRQMMWIBUCVSRS-UHFFFAOYSA-N 0 3 311.332 2.255 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc(Cl)c1F ZINC001332664873 1149877926 /nfs/dbraw/zinc/87/79/26/1149877926.db2.gz XPTPWJNHSFWLQQ-LLVKDONJSA-N 0 3 314.788 2.030 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001332678248 1149879246 /nfs/dbraw/zinc/87/92/46/1149879246.db2.gz NRLDAMCTEGZUQS-CVEARBPZSA-N 0 3 314.445 2.232 20 30 DEEDHN C=CCOCC(=O)N(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC001333043691 1149970039 /nfs/dbraw/zinc/97/00/39/1149970039.db2.gz WEMKBRPKTBGFAQ-UHFFFAOYSA-N 0 3 324.371 2.246 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@@H](C)CCNc1cccc(F)c1C#N ZINC001106361484 782671644 /nfs/dbraw/zinc/67/16/44/782671644.db2.gz HERWNAJZIYOMTE-ZDUSSCGKSA-N 0 3 320.412 2.344 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106563633 782783295 /nfs/dbraw/zinc/78/32/95/782783295.db2.gz GXPWJUIJEVTEPV-OWCLPIDISA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(C)[C@H](CC(=O)OC[C@@H]1CCN1C1CCOCC1)OCC ZINC001123247170 782921641 /nfs/dbraw/zinc/92/16/41/782921641.db2.gz HSPSTBKJQXVHMY-HOTGVXAUSA-N 0 3 311.422 2.154 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCCOCC2)CC(C)(C)C1 ZINC001089370189 783052970 /nfs/dbraw/zinc/05/29/70/783052970.db2.gz NDNUFTCEVYSARI-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001111258056 783077715 /nfs/dbraw/zinc/07/77/15/783077715.db2.gz VIAXXCXKNOCDBC-ZACQAIPSSA-N 0 3 318.461 2.347 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC(C)(C)C1 ZINC001089419426 783088472 /nfs/dbraw/zinc/08/84/72/783088472.db2.gz GGOJPGNVAGIJGW-OAHLLOKOSA-N 0 3 324.428 2.417 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc3nccn3c2C)C[C@H]1C ZINC000947403937 783127541 /nfs/dbraw/zinc/12/75/41/783127541.db2.gz IZGANDFXLVAYHV-DGCLKSJQSA-N 0 3 318.446 2.473 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncc(C)cc2OC)C[C@@H]1C ZINC000947403828 783128152 /nfs/dbraw/zinc/12/81/52/783128152.db2.gz HIXBOPDURMKEAD-KBPBESRZSA-N 0 3 303.406 2.167 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3cccnc3c2)C[C@H]1C ZINC000947442373 783137591 /nfs/dbraw/zinc/13/75/91/783137591.db2.gz UXYARBXNTKQXIL-CRAIPNDOSA-N 0 3 321.424 2.380 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)nn2CC)C[C@H]1C ZINC000947493247 783152858 /nfs/dbraw/zinc/15/28/58/783152858.db2.gz RDUNETKBRRIVEU-HUUCEWRRSA-N 0 3 316.449 2.242 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)C[C@@H]1C ZINC000947546756 783168673 /nfs/dbraw/zinc/16/86/73/783168673.db2.gz KNRRRWZKWLTPQS-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C[C@H]1C ZINC000947564755 783176611 /nfs/dbraw/zinc/17/66/11/783176611.db2.gz SJBKUQBPWPXTJC-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c(C)onc2CC)CC(C)(C)C1 ZINC001089554549 783202733 /nfs/dbraw/zinc/20/27/33/783202733.db2.gz WNXDOOOHVKEJMA-AWEZNQCLSA-N 0 3 317.433 2.399 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnc(C)nc3C(C)C)C2)C1 ZINC001073033179 790406078 /nfs/dbraw/zinc/40/60/78/790406078.db2.gz FAWOXIGEPRAXGN-UHFFFAOYSA-N 0 3 314.433 2.242 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)C1 ZINC001090744442 790475728 /nfs/dbraw/zinc/47/57/28/790475728.db2.gz UXOULEFMZJQRDM-CABCVRRESA-N 0 3 308.809 2.081 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(F)ccc(OC)c3F)C2)C1 ZINC001073140488 790481861 /nfs/dbraw/zinc/48/18/61/790481861.db2.gz UIZVEQVJXKONQM-UHFFFAOYSA-N 0 3 322.355 2.307 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H](O)C1 ZINC001090759281 790494082 /nfs/dbraw/zinc/49/40/82/790494082.db2.gz HCBYXDUZBFOCHY-DLBZAZTESA-N 0 3 302.418 2.045 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncc(F)c1 ZINC001087136312 777028264 /nfs/dbraw/zinc/02/82/64/777028264.db2.gz QGPUDERQPLMSKP-IOASZLSFSA-N 0 3 318.396 2.097 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC000971536917 777132593 /nfs/dbraw/zinc/13/25/93/777132593.db2.gz HIBZGOCIESVEIQ-GOEBONIOSA-N 0 3 318.392 2.096 20 30 DEEDHN C=CCCCC(=O)N1CCC(C)(NC(=O)CN(CC)CC)CC1 ZINC001073226330 790530229 /nfs/dbraw/zinc/53/02/29/790530229.db2.gz TZSWZNFZEMBDCJ-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2cncs2)C1 ZINC001100590724 777369594 /nfs/dbraw/zinc/36/95/94/777369594.db2.gz BTMRQXGGIKCBKG-UHFFFAOYSA-N 0 3 305.447 2.321 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2n[nH]c(C(C)C)n2)C1 ZINC001100623510 777485582 /nfs/dbraw/zinc/48/55/82/777485582.db2.gz RPVDMZXOKAXZIW-UHFFFAOYSA-N 0 3 319.453 2.269 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccnc3)C(C)(C)[C@H]21 ZINC001087269842 777673950 /nfs/dbraw/zinc/67/39/50/777673950.db2.gz PPXAZMPUJNLVOU-ZACQAIPSSA-N 0 3 311.429 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3[nH]c(C)cc3C)C(C)(C)[C@H]21 ZINC001087288818 777734205 /nfs/dbraw/zinc/73/42/05/777734205.db2.gz COSBFMZODUVQIT-PVAVHDDUSA-N 0 3 313.445 2.484 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)Cc1ccoc1)C[C@H](C)O2 ZINC001098590201 777758484 /nfs/dbraw/zinc/75/84/84/777758484.db2.gz QEXHDRHNTRLPPV-HNNXBMFYSA-N 0 3 318.417 2.090 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3oncc3C)C(C)(C)[C@H]21 ZINC001087310931 777769738 /nfs/dbraw/zinc/76/97/38/777769738.db2.gz FTPDSJVISJHKHD-KBMXLJTQSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cccn3CC)C(C)(C)[C@H]21 ZINC001087319669 777784026 /nfs/dbraw/zinc/78/40/26/777784026.db2.gz RSGXOWORBMQGRX-PVAVHDDUSA-N 0 3 313.445 2.360 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccsc2)C1 ZINC001149129007 778108481 /nfs/dbraw/zinc/10/84/81/778108481.db2.gz FSKIOUSPMUZUNW-OAHLLOKOSA-N 0 3 308.447 2.074 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3ccc(CF)cc3)[C@H]2C1 ZINC001083287356 778119631 /nfs/dbraw/zinc/11/96/31/778119631.db2.gz DWSSTVXTXCOCKC-DLBZAZTESA-N 0 3 318.392 2.257 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)CC1(C)C ZINC001073339789 790605463 /nfs/dbraw/zinc/60/54/63/790605463.db2.gz FODPWPVUTDKLOE-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C1CC2(C1)CCOCC2 ZINC001171086903 790605509 /nfs/dbraw/zinc/60/55/09/790605509.db2.gz YKGPYBNWQLVGEZ-UHFFFAOYSA-N 0 3 300.830 2.042 20 30 DEEDHN C=CCC[C@@H](C)NCc1cn([C@@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615160 778278949 /nfs/dbraw/zinc/27/89/49/778278949.db2.gz LQBXSBBAVVCTPJ-GDBMZVCRSA-N 0 3 319.453 2.152 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1cnn(-c2ccccc2)c1 ZINC001125951817 778459616 /nfs/dbraw/zinc/45/96/16/778459616.db2.gz XCLNBUYRQSOOPN-UHFFFAOYSA-N 0 3 324.428 2.272 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 ZINC001211799822 778858856 /nfs/dbraw/zinc/85/88/56/778858856.db2.gz ACTNIJLIIIMJJN-HZPDHXFCSA-N 0 3 323.437 2.382 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](n2cc(CNCCCC)nn2)C1 ZINC001098681469 778925281 /nfs/dbraw/zinc/92/52/81/778925281.db2.gz SZEBGQPFTPLKBS-MRXNPFEDSA-N 0 3 319.453 2.298 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC001167966383 779115730 /nfs/dbraw/zinc/11/57/30/779115730.db2.gz MRJZNKPUBAXCHS-UHFFFAOYSA-N 0 3 309.797 2.029 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cc(C)ccn32)[C@H]1CC ZINC001087582786 779364179 /nfs/dbraw/zinc/36/41/79/779364179.db2.gz BQWSFDYODCLPRQ-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2C(F)F)[C@H]1CC ZINC001087585653 779369451 /nfs/dbraw/zinc/36/94/51/779369451.db2.gz SBEMXCKMPDNGQE-NWDGAFQWSA-N 0 3 312.364 2.437 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)[C@H]1CC ZINC001087746615 779434218 /nfs/dbraw/zinc/43/42/18/779434218.db2.gz HRVVEVVBTQLSFL-ZMSDIMECSA-N 0 3 318.392 2.284 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)[C@H]1CC ZINC001087787633 779451239 /nfs/dbraw/zinc/45/12/39/779451239.db2.gz ICGKHYBSVJWEQE-JKSUJKDBSA-N 0 3 302.422 2.062 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2Cl)[C@H]1CC ZINC001087792838 779452991 /nfs/dbraw/zinc/45/29/91/779452991.db2.gz BQGLFCWFTLZIKN-QWHCGFSZSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)[C@H]1CC ZINC001087813490 779462806 /nfs/dbraw/zinc/46/28/06/779462806.db2.gz PODZPYLAEXVMMN-CWRNSKLLSA-N 0 3 316.449 2.234 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3csc(C)c3C)C[C@@H]2C1 ZINC001087978199 779584551 /nfs/dbraw/zinc/58/45/51/779584551.db2.gz QJPPDKZFCYUFQG-CABCVRRESA-N 0 3 302.443 2.392 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H]2CCN(CC#CC)C[C@H]2C1 ZINC001087992667 779619256 /nfs/dbraw/zinc/61/92/56/779619256.db2.gz FVOXTPIBLDUCDZ-SJORKVTESA-N 0 3 311.429 2.091 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3nc(C)sc3C)C[C@@H]2C1 ZINC001088008722 779631149 /nfs/dbraw/zinc/63/11/49/779631149.db2.gz BJLRXIZQSRKCLI-CABCVRRESA-N 0 3 317.458 2.177 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnn3C(C)C)[C@@H]2C1 ZINC001075832550 779652593 /nfs/dbraw/zinc/65/25/93/779652593.db2.gz AATDNSZAHWOQEU-GOEBONIOSA-N 0 3 302.422 2.186 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@@H]2C1 ZINC001088074745 779677695 /nfs/dbraw/zinc/67/76/95/779677695.db2.gz CPAVDZRWDUWXNX-WBVHZDCISA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@@H]2C1 ZINC001088113694 779708802 /nfs/dbraw/zinc/70/88/02/779708802.db2.gz XKFKEJVKOANHNG-ZJPYXAASSA-N 0 3 302.462 2.472 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ncsc3C(C)C)C[C@@H]2C1 ZINC001088167583 779739696 /nfs/dbraw/zinc/73/96/96/779739696.db2.gz GZRUUJFJFUUHAQ-KGLIPLIRSA-N 0 3 317.458 2.294 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)s3)C[C@@H]2C1 ZINC001088211289 779773512 /nfs/dbraw/zinc/77/35/12/779773512.db2.gz BAWZPCBKEKSERC-CVEARBPZSA-N 0 3 316.470 2.403 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(c4cccc(C)c4)CC3)C[C@@H]2C1 ZINC001088212848 779776150 /nfs/dbraw/zinc/77/61/50/779776150.db2.gz VZUXWLNUGNURHJ-MSOLQXFVSA-N 0 3 322.452 2.440 20 30 DEEDHN O=C(C#CC1CC1)N1CCCCC[C@@H](NCc2ccccn2)C1 ZINC001088311925 779935659 /nfs/dbraw/zinc/93/56/59/779935659.db2.gz KNJFTLFFTAGTFI-GOSISDBHSA-N 0 3 311.429 2.356 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@@](CNCCF)(c2ccccc2)C1 ZINC001105423205 780056212 /nfs/dbraw/zinc/05/62/12/780056212.db2.gz JBPIHYVZWRTATO-IZAXUBKRSA-N 0 3 314.404 2.176 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001073637334 790760537 /nfs/dbraw/zinc/76/05/37/790760537.db2.gz WQGHTEXFNINNJT-CQSZACIVSA-N 0 3 324.371 2.362 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001090987827 790761116 /nfs/dbraw/zinc/76/11/16/790761116.db2.gz CCSMQIOMFZMUQU-MCIGGMRASA-N 0 3 315.255 2.426 20 30 DEEDHN C=CCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001075884857 780352038 /nfs/dbraw/zinc/35/20/38/780352038.db2.gz RZVZLTXWBYBCIL-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ncoc2CC)[C@H](OC)C1 ZINC001212064224 780602544 /nfs/dbraw/zinc/60/25/44/780602544.db2.gz QNKIGCYIQXSXKJ-GZBFAFLISA-N 0 3 321.421 2.021 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3n2CCCCC3)[C@H]1C ZINC001088657883 780693343 /nfs/dbraw/zinc/69/33/43/780693343.db2.gz XCZBZSPYZWFFLA-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3nc(C)sc3C)[C@@H]2C1 ZINC001075949913 780884425 /nfs/dbraw/zinc/88/44/25/780884425.db2.gz ARCQPJXABRFUPX-DZGCQCFKSA-N 0 3 305.447 2.021 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)[C@@H]2C1 ZINC001075965774 780939708 /nfs/dbraw/zinc/93/97/08/780939708.db2.gz CPFPBEPIZAVZOU-MAUKXSAKSA-N 0 3 324.428 2.296 20 30 DEEDHN CC(C)C#CC(=O)NCCNCc1ccccc1OC1CC1 ZINC001126815320 780941838 /nfs/dbraw/zinc/94/18/38/780941838.db2.gz AEIPROCRTGPWDR-UHFFFAOYSA-N 0 3 300.402 2.093 20 30 DEEDHN O=C(C#CC1CC1)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001126875903 781013866 /nfs/dbraw/zinc/01/38/66/781013866.db2.gz RGFJRMUXDXHODQ-INIZCTEOSA-N 0 3 304.340 2.071 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3coc(=O)c4ccccc34)[C@@H]2C1 ZINC001076119686 781127075 /nfs/dbraw/zinc/12/70/75/781127075.db2.gz RJXJKASOAHKYAH-SUMWQHHRSA-N 0 3 324.380 2.125 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(F)c(C)c3)[C@@H]2C1 ZINC001076197996 781164034 /nfs/dbraw/zinc/16/40/34/781164034.db2.gz SAMFARLMHJVKKM-DOTOQJQBSA-N 0 3 300.377 2.304 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3nccc4ccccc43)[C@@H]2C1 ZINC001076189640 781164405 /nfs/dbraw/zinc/16/44/05/781164405.db2.gz SAFJPTQICXYWST-FUHWJXTLSA-N 0 3 319.408 2.404 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C1 ZINC001076227459 781175830 /nfs/dbraw/zinc/17/58/30/781175830.db2.gz BAQLZGNVOUUIKN-GXFFZTMASA-N 0 3 310.348 2.070 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](OC)C3CCCC3)[C@@H]2C1 ZINC001076505565 781290343 /nfs/dbraw/zinc/29/03/43/781290343.db2.gz BKZNCRUDGGGLLJ-GVDBMIGSSA-N 0 3 306.450 2.300 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@@H](F)C2)cc1F ZINC001126960884 781493974 /nfs/dbraw/zinc/49/39/74/781493974.db2.gz RRHUPDWPMABMPM-UKRRQHHQSA-N 0 3 321.371 2.431 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001073811950 790895060 /nfs/dbraw/zinc/89/50/60/790895060.db2.gz QCGWUDYAPPIHSN-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC001073844900 790910118 /nfs/dbraw/zinc/91/01/18/790910118.db2.gz FCHOUDUMOSYTNR-CQSZACIVSA-N 0 3 321.421 2.195 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C[C@@H]1C ZINC000947810747 783237039 /nfs/dbraw/zinc/23/70/39/783237039.db2.gz PHGWNQRMRWHSKL-RDJZCZTQSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)C[C@@H]1C ZINC000947861146 783249210 /nfs/dbraw/zinc/24/92/10/783249210.db2.gz GGQIFASCMPQRNB-HOCLYGCPSA-N 0 3 304.438 2.308 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@H]1C ZINC000947886048 783257257 /nfs/dbraw/zinc/25/72/57/783257257.db2.gz FUTGDRPMFMQPNC-RHSMWYFYSA-N 0 3 322.412 2.293 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C[C@H]1C ZINC000947899054 783262235 /nfs/dbraw/zinc/26/22/35/783262235.db2.gz DIDRVFHKYMKDCT-PBHICJAKSA-N 0 3 309.413 2.394 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)C[C@@H]1C ZINC000947903251 783263501 /nfs/dbraw/zinc/26/35/01/783263501.db2.gz FVPJPHFXOSQCRE-BBRMVZONSA-N 0 3 302.422 2.062 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001089603098 783264284 /nfs/dbraw/zinc/26/42/84/783264284.db2.gz JMEGVFQNIINXLV-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC001089602934 783264738 /nfs/dbraw/zinc/26/47/38/783264738.db2.gz FYCZDBUZICFDEK-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)C[C@H]1C ZINC000947915850 783266650 /nfs/dbraw/zinc/26/66/50/783266650.db2.gz GZJISHKOZNYWKT-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)C[C@@H]1C ZINC000947915849 783266779 /nfs/dbraw/zinc/26/67/79/783266779.db2.gz GZJISHKOZNYWKT-HOCLYGCPSA-N 0 3 316.449 2.378 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3cccnc23)C[C@@H]1C ZINC000947928483 783271749 /nfs/dbraw/zinc/27/17/49/783271749.db2.gz BFZXKKXPWDHWPL-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2)C[C@H]1C ZINC000947993807 783288911 /nfs/dbraw/zinc/28/89/11/783288911.db2.gz IKJMYFLEWDTIDM-PBHICJAKSA-N 0 3 302.393 2.361 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccnc2OCC)C[C@H]1C ZINC000947994207 783289007 /nfs/dbraw/zinc/28/90/07/783289007.db2.gz MZEUDSBPEUVAHO-CABCVRRESA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)C[C@@H]1C ZINC000948016472 783293720 /nfs/dbraw/zinc/29/37/20/783293720.db2.gz PGLRSBMIXZWMMM-GJZGRUSLSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001089630709 783298793 /nfs/dbraw/zinc/29/87/93/783298793.db2.gz UVZCQHWHGWUEJG-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cn2ccc3ccccc32)C[C@H]1C ZINC000948036183 783299069 /nfs/dbraw/zinc/29/90/69/783299069.db2.gz OVYGRZZSDWZOPY-WBVHZDCISA-N 0 3 309.413 2.244 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ocnc1CC ZINC001089691749 783358847 /nfs/dbraw/zinc/35/88/47/783358847.db2.gz WXMKRWZTACJBRF-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@H]2CCC(C)(C)CN2CC)nn1 ZINC001089707770 783370239 /nfs/dbraw/zinc/37/02/39/783370239.db2.gz SMUGJOQULMEEJF-CQSZACIVSA-N 0 3 319.453 2.095 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccnn2[C@@H](C)CC)CC1 ZINC000948416633 783458815 /nfs/dbraw/zinc/45/88/15/783458815.db2.gz LGEAEHFJLHHIPT-HOTGVXAUSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cncc3[nH]ccc32)CC1 ZINC000948586244 783513061 /nfs/dbraw/zinc/51/30/61/783513061.db2.gz DIYHHNUFELTAJN-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001124483240 783548957 /nfs/dbraw/zinc/54/89/57/783548957.db2.gz LLZAHJXBULETTL-CYBMUJFWSA-N 0 3 324.396 2.021 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC000966239865 783607854 /nfs/dbraw/zinc/60/78/54/783607854.db2.gz XITDMGYOLDIYSR-YOEHRIQHSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966812225 783765586 /nfs/dbraw/zinc/76/55/86/783765586.db2.gz KSRRXOAXTZXJRQ-WCQYABFASA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2nccc3cccnc32)C1 ZINC000966814119 783767566 /nfs/dbraw/zinc/76/75/66/783767566.db2.gz PPHPDNDIGRVYHY-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C2CCC2)cnn1C ZINC001085606920 783877666 /nfs/dbraw/zinc/87/76/66/783877666.db2.gz BRYODDVDQTVROW-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967231625 783909836 /nfs/dbraw/zinc/90/98/36/783909836.db2.gz RFGVHMLVFMWDIC-SUMWQHHRSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2ccncc2n1 ZINC001085726562 784011313 /nfs/dbraw/zinc/01/13/13/784011313.db2.gz BAFYHXGWAGFPQI-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967652268 784081353 /nfs/dbraw/zinc/08/13/53/784081353.db2.gz AZFWQFKOIKPDLX-CXAGYDPISA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccnc1OC ZINC001085796187 784090844 /nfs/dbraw/zinc/09/08/44/784090844.db2.gz LUIOKOHDWYTULW-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nn1CC ZINC001085834227 784121968 /nfs/dbraw/zinc/12/19/68/784121968.db2.gz FHLKZUFXGWXBBS-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000968017582 784203624 /nfs/dbraw/zinc/20/36/24/784203624.db2.gz 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/nfs/dbraw/zinc/31/83/31/784318331.db2.gz VHXPKWHRJXQEBQ-TXEJJXNPSA-N 0 3 324.222 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cncc(OC)c2C)C1 ZINC001086121414 784422911 /nfs/dbraw/zinc/42/29/11/784422911.db2.gz RMCBXVTXFSPLEB-BETUJISGSA-N 0 3 323.824 2.249 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001086128767 784425264 /nfs/dbraw/zinc/42/52/64/784425264.db2.gz KKWUXZSYHDSRRV-RQJABVFESA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968503967 784430998 /nfs/dbraw/zinc/43/09/98/784430998.db2.gz CXJQENHCXCQAHI-BBRMVZONSA-N 0 3 317.433 2.090 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NCc3conc3C)C2)cc1 ZINC001086164813 784457656 /nfs/dbraw/zinc/45/76/56/784457656.db2.gz HHZDGQIDCZEEDX-RHNCMZPLSA-N 0 3 323.396 2.263 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)cc1F ZINC000968602756 784495348 /nfs/dbraw/zinc/49/53/48/784495348.db2.gz QGMQQGPVFFLSHB-OLZOCXBDSA-N 0 3 323.318 2.043 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC000968641079 784517985 /nfs/dbraw/zinc/51/79/85/784517985.db2.gz XHMQRNCSGGPKGI-MLGOLLRUSA-N 0 3 305.422 2.237 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968680871 784537306 /nfs/dbraw/zinc/53/73/06/784537306.db2.gz DTEZFRSZXOZJSK-XJKSGUPXSA-N 0 3 304.459 2.449 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000968678513 784537460 /nfs/dbraw/zinc/53/74/60/784537460.db2.gz RHVSEGIUVNEHLE-SWLSCSKDSA-N 0 3 317.433 2.420 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000968821893 784607045 /nfs/dbraw/zinc/60/70/45/784607045.db2.gz IOHJYBMTTBJIBK-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001086392684 784654045 /nfs/dbraw/zinc/65/40/45/784654045.db2.gz AJXDGXHZKXUHLZ-AULYBMBSSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](NCc2cccnc2)C1 ZINC000968924558 784653898 /nfs/dbraw/zinc/65/38/98/784653898.db2.gz PRIYETURUOTEHU-MRXNPFEDSA-N 0 3 310.401 2.073 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC001086406475 784682406 /nfs/dbraw/zinc/68/24/06/784682406.db2.gz IYOAGXUSPSNXJF-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001086413344 784692660 /nfs/dbraw/zinc/69/26/60/784692660.db2.gz DDJYYPGKYQCTHN-MQMHXKEQSA-N 0 3 324.856 2.489 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000745234702 784701703 /nfs/dbraw/zinc/70/17/03/784701703.db2.gz CHYVLQQLKWTNNS-LJQANCHMSA-N 0 3 323.440 2.492 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)CCC)[C@H](C)C1 ZINC001074092219 791049577 /nfs/dbraw/zinc/04/95/77/791049577.db2.gz AKTMDUHNYUBDTI-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC000969101048 784726430 /nfs/dbraw/zinc/72/64/30/784726430.db2.gz OUCGOCQUCHXHMI-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001091253958 791062901 /nfs/dbraw/zinc/06/29/01/791062901.db2.gz LAPWGIZRFSEZFK-MCIGGMRASA-N 0 3 313.239 2.180 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)CC2CCC2)c1 ZINC001156187762 784889445 /nfs/dbraw/zinc/88/94/45/784889445.db2.gz ZZJLNHVYVIMTFC-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108397184 784927645 /nfs/dbraw/zinc/92/76/45/784927645.db2.gz QCOQBIAOKADDRM-MAUKXSAKSA-N 0 3 319.449 2.499 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(CC)nn(C)c1Cl ZINC001156240937 784999590 /nfs/dbraw/zinc/99/95/90/784999590.db2.gz QSLRQLFNHWVTAJ-GFCCVEGCSA-N 0 3 324.856 2.099 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2nccs2)c(F)c1 ZINC001169041889 785014300 /nfs/dbraw/zinc/01/43/00/785014300.db2.gz RBRYQEXKVUMXRY-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)c1 ZINC001008470163 785213200 /nfs/dbraw/zinc/21/32/00/785213200.db2.gz UCWRBVOBOBUJKU-CJNGLKHVSA-N 0 3 303.381 2.005 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCN(CC[C@H](C)F)C2)c1 ZINC001008470166 785213962 /nfs/dbraw/zinc/21/39/62/785213962.db2.gz UCWRBVOBOBUJKU-XJKSGUPXSA-N 0 3 303.381 2.005 20 30 DEEDHN CC(=O)N1CC[C@H](N2CCC[C@H](Oc3cccc(C#N)c3)C2)C1 ZINC001169555031 785237643 /nfs/dbraw/zinc/23/76/43/785237643.db2.gz DWQMDCSITJKBEH-WMZOPIPTSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001008655984 785262355 /nfs/dbraw/zinc/26/23/55/785262355.db2.gz CHZDXMBQDHYFMX-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC001008680592 785272582 /nfs/dbraw/zinc/27/25/82/785272582.db2.gz HHKXQJNBBRKMJD-AWEZNQCLSA-N 0 3 306.356 2.111 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1nnc(CC)n1C ZINC001169713686 785323392 /nfs/dbraw/zinc/32/33/92/785323392.db2.gz QUDXBDRXRNNESZ-AWEZNQCLSA-N 0 3 321.469 2.108 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001008887380 785324686 /nfs/dbraw/zinc/32/46/86/785324686.db2.gz LDLVNHJDHPFLHV-AWEZNQCLSA-N 0 3 318.465 2.488 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)cn1 ZINC001169749587 785335882 /nfs/dbraw/zinc/33/58/82/785335882.db2.gz DASJLWWASNOCCM-SFHVURJKSA-N 0 3 320.396 2.348 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC001169754064 785350109 /nfs/dbraw/zinc/35/01/09/785350109.db2.gz LREQVSBROPWXNR-WCQYABFASA-N 0 3 303.244 2.427 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2nc3ccccn3c2F)C1 ZINC001009089557 785380596 /nfs/dbraw/zinc/38/05/96/785380596.db2.gz ZJDHDXIOBUTSQE-CYBMUJFWSA-N 0 3 316.380 2.244 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001009135293 785393447 /nfs/dbraw/zinc/39/34/47/785393447.db2.gz XWOKUZGRQJTWRO-LBPRGKRZSA-N 0 3 324.856 2.406 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cccnc2OCC)C1 ZINC001009396406 785447228 /nfs/dbraw/zinc/44/72/28/785447228.db2.gz XEYDVSUBAWWFKY-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001009789324 785536738 /nfs/dbraw/zinc/53/67/38/785536738.db2.gz SPHIMNSYGKXOHA-LBPRGKRZSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\c1ccco1)C2 ZINC001108881355 785589180 /nfs/dbraw/zinc/58/91/80/785589180.db2.gz RLQVGJNHIZJESM-WQUDNFGKSA-N 0 3 316.401 2.217 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001108918749 785619946 /nfs/dbraw/zinc/61/99/46/785619946.db2.gz IVUHBRDJLMAYIJ-NCOADZHNSA-N 0 3 304.434 2.267 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CC(C)(C)CO1 ZINC001109208965 785756705 /nfs/dbraw/zinc/75/67/05/785756705.db2.gz IKYPHVBCIIHSFR-NCOADZHNSA-N 0 3 318.461 2.327 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001109438716 785876756 /nfs/dbraw/zinc/87/67/56/785876756.db2.gz JGLLKCJWVNXFMN-ORQFMDKSSA-N 0 3 306.450 2.347 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1C)C2 ZINC001109845145 786083440 /nfs/dbraw/zinc/08/34/40/786083440.db2.gz WSDQXXSZKDXGAM-IKGGRYGDSA-N 0 3 316.449 2.269 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113359474 786543669 /nfs/dbraw/zinc/54/36/69/786543669.db2.gz BIPZSLZKGPYQSN-ZACQAIPSSA-N 0 3 308.466 2.404 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc3c2cccc3OC)C1 ZINC001014469665 786595888 /nfs/dbraw/zinc/59/58/88/786595888.db2.gz SRLQLFWJAFFXSS-ZDUSSCGKSA-N 0 3 312.369 2.269 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc(OCCC)c2)C1 ZINC001014610819 786661040 /nfs/dbraw/zinc/66/10/40/786661040.db2.gz MLTIXMUMOGPVAS-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001014642060 786673858 /nfs/dbraw/zinc/67/38/58/786673858.db2.gz BKWAZFUBDFWIHW-JTQLQIEISA-N 0 3 314.216 2.159 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001014684451 786703895 /nfs/dbraw/zinc/70/38/95/786703895.db2.gz YMHKFYAHTQDDKY-LLVKDONJSA-N 0 3 308.813 2.321 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001014721187 786721889 /nfs/dbraw/zinc/72/18/89/786721889.db2.gz IXRFBKKSFBLRIC-CVEARBPZSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114034972 787063434 /nfs/dbraw/zinc/06/34/34/787063434.db2.gz PIBSPUUTHYMROI-ANRZDRKOSA-N 0 3 318.392 2.136 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001114198874 787159532 /nfs/dbraw/zinc/15/95/32/787159532.db2.gz KCCQUONBXZFCJI-RUYXUALKSA-N 0 3 324.424 2.067 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CCN(C[C@@H]3CCCCO3)C2)CC1 ZINC001015659539 787165915 /nfs/dbraw/zinc/16/59/15/787165915.db2.gz DCCIHQRDJCCGSE-SJORKVTESA-N 0 3 306.450 2.492 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001015750509 787218432 /nfs/dbraw/zinc/21/84/32/787218432.db2.gz MZAIINIUASRZSD-CYBMUJFWSA-N 0 3 308.784 2.235 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(F)ccc2F)cc1 ZINC001129491387 787220388 /nfs/dbraw/zinc/22/03/88/787220388.db2.gz HNNRPXHFRHENQV-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(CCC)CCC)C[C@@H]1n1ccnn1 ZINC001129985181 787268610 /nfs/dbraw/zinc/26/86/10/787268610.db2.gz RLMPAMFOLLSVFX-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@H]2C=CCC2)C1 ZINC001130342871 787353121 /nfs/dbraw/zinc/35/31/21/787353121.db2.gz RQDLMKYGYXWMSY-GJZGRUSLSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@@H](C)CC)C1 ZINC001130381510 787370415 /nfs/dbraw/zinc/37/04/15/787370415.db2.gz ZNYHJKFKNBHQRQ-KBPBESRZSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C#CC(C)(C)C)C1 ZINC001130389574 787374927 /nfs/dbraw/zinc/37/49/27/787374927.db2.gz VVZGEUREOQQCEX-CQSZACIVSA-N 0 3 314.433 2.051 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130542257 787420316 /nfs/dbraw/zinc/42/03/16/787420316.db2.gz VBRKJDBCCJLCTC-WIPWUNCGSA-N 0 3 316.449 2.092 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](C=C)CC)C[C@H]1c1cn(C)cn1 ZINC001130656272 787452223 /nfs/dbraw/zinc/45/22/23/787452223.db2.gz DXWUIHWUVCFBSF-HLLBOEOZSA-N 0 3 316.449 2.092 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130703929 787458784 /nfs/dbraw/zinc/45/87/84/787458784.db2.gz BBULLRALNTWAID-YQQAZPJKSA-N 0 3 318.465 2.172 20 30 DEEDHN C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H](C)CC)n1 ZINC001130876089 787489525 /nfs/dbraw/zinc/48/95/25/787489525.db2.gz QWZURLOXVBYRRG-SOUVJXGZSA-N 0 3 320.437 2.143 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc3c[nH]nc31)C2 ZINC001096169193 787554666 /nfs/dbraw/zinc/55/46/66/787554666.db2.gz XPDJEDXIRVMLBF-PVAVHDDUSA-N 0 3 322.412 2.230 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](CNCc2cnc(C)o2)C1 ZINC001330644094 1149227915 /nfs/dbraw/zinc/22/79/15/1149227915.db2.gz QBGCWCRBSSSUCG-SHTZXODSSA-N 0 3 303.406 2.161 20 30 DEEDHN C[C@@H](CC(F)F)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001131450034 787623791 /nfs/dbraw/zinc/62/37/91/787623791.db2.gz MTCLSGOUCMXBFS-JTQLQIEISA-N 0 3 313.323 2.194 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCC(C)C)C[C@H](C)O2 ZINC001131629452 787665762 /nfs/dbraw/zinc/66/57/62/787665762.db2.gz RUBVPZWFAQGPDD-WMZOPIPTSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCOC(C)C)C[C@H](C)O2 ZINC001131629894 787667168 /nfs/dbraw/zinc/66/71/68/787667168.db2.gz ZAJXFUFKLQKIEC-FUHWJXTLSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCOC(C)C)C[C@H](C)O2 ZINC001131629896 787667570 /nfs/dbraw/zinc/66/75/70/787667570.db2.gz ZAJXFUFKLQKIEC-WMZOPIPTSA-N 0 3 324.465 2.069 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C\C(C)(C)C)C[C@@H](C)O2 ZINC001131645712 787670075 /nfs/dbraw/zinc/67/00/75/787670075.db2.gz KFXJZXBQAWBEDN-RQUZMNLWSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CCOC(C)C)C2)C1 ZINC001131649173 787672572 /nfs/dbraw/zinc/67/25/72/787672572.db2.gz HGICIYPYYONSTO-FUHWJXTLSA-N 0 3 324.465 2.069 20 30 DEEDHN CC(C)=CCN1CC[C@]2(C1)CN(C(=O)C#CC(C)C)C[C@H](C)O2 ZINC001131661203 787673901 /nfs/dbraw/zinc/67/39/01/787673901.db2.gz KUNGMUTWFTZCDE-HKUYNNGSSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC(=C)C)C[C@@H](C)O2 ZINC001131665477 787675329 /nfs/dbraw/zinc/67/53/29/787675329.db2.gz GEALKEJROVMZHL-SJLPKXTDSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC=C(C)C)C2)C1 ZINC001131657257 787679513 /nfs/dbraw/zinc/67/95/13/787679513.db2.gz HLWXYAFLJULKKK-IEBWSBKVSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCCC=C)C[C@H](C)O2 ZINC001131676545 787687426 /nfs/dbraw/zinc/68/74/26/787687426.db2.gz BIQOARBXIQCRIV-FUHWJXTLSA-N 0 3 304.434 2.058 20 30 DEEDHN C[C@]1(C(=O)NCCNCc2ccc(F)c(C#N)c2)C[C@H]2C[C@H]2C1 ZINC001131707990 787695370 /nfs/dbraw/zinc/69/53/70/787695370.db2.gz ANPRZFDKYGHHOS-UOIKSKOESA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2ccsc2)CC[C@@H]1C ZINC001131762001 787731706 /nfs/dbraw/zinc/73/17/06/787731706.db2.gz WRMUPPVKPRVSIR-GOEBONIOSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C/c2ccco2)CC[C@@H]1C ZINC001131788701 787734575 /nfs/dbraw/zinc/73/45/75/787734575.db2.gz WWNXKMKCTUTGOL-OFTJQPPSSA-N 0 3 318.417 2.465 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cnccc2C)CC[C@@H]1C ZINC001131923200 787817334 /nfs/dbraw/zinc/81/73/34/787817334.db2.gz PETPHTXPFOUTKC-HOTGVXAUSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2CC(F)(F)C2)CC[C@H]1C ZINC001131959932 787853887 /nfs/dbraw/zinc/85/38/87/787853887.db2.gz JDOVZLYHDDOXNJ-TZMCWYRMSA-N 0 3 316.392 2.203 20 30 DEEDHN CC(C)c1cc(C(=O)NCCNCc2ccc(C#N)s2)no1 ZINC001131986461 787864189 /nfs/dbraw/zinc/86/41/89/787864189.db2.gz UMGWJUBJOAXJFA-UHFFFAOYSA-N 0 3 318.402 2.251 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(OC)cc1C)C2 ZINC001097135487 787988921 /nfs/dbraw/zinc/98/89/21/787988921.db2.gz YTSISBKZWGIDLY-NXHRZFHOSA-N 0 3 314.429 2.454 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C ZINC001132238208 787990380 /nfs/dbraw/zinc/99/03/80/787990380.db2.gz PRVAPBOWXJKUPT-FIDHJVLJSA-N 0 3 306.450 2.204 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)N1[C@H](C)CCC[C@H]1C ZINC001132308612 788021120 /nfs/dbraw/zinc/02/11/20/788021120.db2.gz MOZFGTBQCLUFEZ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CC[C@H]1C ZINC001132402982 788058123 /nfs/dbraw/zinc/05/81/23/788058123.db2.gz OOHDBBFIVKEPAI-CABCVRRESA-N 0 3 317.433 2.232 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3cc(C)ccc3n1)C2 ZINC001097328576 788061527 /nfs/dbraw/zinc/06/15/27/788061527.db2.gz JWCSQPAMOKQLGT-INMHGKMJSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCOC2CCOCC2)CC[C@H]1C ZINC001132417085 788067164 /nfs/dbraw/zinc/06/71/64/788067164.db2.gz RLCMDODLYOSTNO-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCOC2CCOCC2)CC[C@H]1C ZINC001132417097 788067614 /nfs/dbraw/zinc/06/76/14/788067614.db2.gz RNHIRQGFGMJNGL-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2cncc(F)c2)CC[C@@H]1C ZINC001132543092 788119945 /nfs/dbraw/zinc/11/99/45/788119945.db2.gz VFCZHNHADMFUIC-BBRMVZONSA-N 0 3 305.397 2.308 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001132667986 788161312 /nfs/dbraw/zinc/16/13/12/788161312.db2.gz YNAYWSMUTJEUTL-HZPDHXFCSA-N 0 3 323.481 2.108 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001132670950 788161851 /nfs/dbraw/zinc/16/18/51/788161851.db2.gz HQCCUWVWSLSUSC-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001132865881 788213918 /nfs/dbraw/zinc/21/39/18/788213918.db2.gz TXNWGINCNMSERO-HIFRSBDPSA-N 0 3 319.453 2.044 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc[nH]c2C2CC2)s1 ZINC001132971894 788240084 /nfs/dbraw/zinc/24/00/84/788240084.db2.gz PVJNBFJHHJQUML-UHFFFAOYSA-N 0 3 314.414 2.345 20 30 DEEDHN C=CCCCC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001133154942 788297712 /nfs/dbraw/zinc/29/77/12/788297712.db2.gz YCFQNKDHOGEYHZ-UHFFFAOYSA-N 0 3 301.390 2.129 20 30 DEEDHN C[C@@H](CC(F)(F)F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001133268966 788343801 /nfs/dbraw/zinc/34/38/01/788343801.db2.gz SXHDXIYWSPHZJU-NSHDSACASA-N 0 3 313.323 2.353 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001133383717 788396716 /nfs/dbraw/zinc/39/67/16/788396716.db2.gz XCYPTZHSMRZZDC-GOSISDBHSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)C#N ZINC001133392954 788401433 /nfs/dbraw/zinc/40/14/33/788401433.db2.gz VDXMRIYTVJTOBE-CYBMUJFWSA-N 0 3 303.793 2.051 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN[C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC001133565730 788490169 /nfs/dbraw/zinc/49/01/69/788490169.db2.gz JBPHQEIZBHHPBT-HNNXBMFYSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNCc2cnn(-c3ccccc3)c2)C1 ZINC001133566061 788491141 /nfs/dbraw/zinc/49/11/41/788491141.db2.gz SXCOMQXUDWJBRE-UHFFFAOYSA-N 0 3 324.428 2.434 20 30 DEEDHN CCOCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133622347 788529082 /nfs/dbraw/zinc/52/90/82/788529082.db2.gz GBXWJASOCBJUTM-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN CCc1c(C(=O)NCCNCc2ccc(C#N)s2)ccn1C ZINC001133842521 788636563 /nfs/dbraw/zinc/63/65/63/788636563.db2.gz TYHMCUSODDBTGV-UHFFFAOYSA-N 0 3 316.430 2.040 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1csnc1OC ZINC001133883604 788649870 /nfs/dbraw/zinc/64/98/70/788649870.db2.gz CZGAUPGAPPPXIA-NWDGAFQWSA-N 0 3 311.451 2.491 20 30 DEEDHN CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133901238 788671918 /nfs/dbraw/zinc/67/19/18/788671918.db2.gz SAZBUSRCFVWSAX-CABCVRRESA-N 0 3 317.433 2.358 20 30 DEEDHN CC(F)(F)C1(C(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001133953658 788685634 /nfs/dbraw/zinc/68/56/34/788685634.db2.gz ZQXJONXMMFXRFE-UHFFFAOYSA-N 0 3 313.373 2.261 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](O)C1 ZINC001090516825 788733850 /nfs/dbraw/zinc/73/38/50/788733850.db2.gz YMVXJBGBVFVSNI-IRXDYDNUSA-N 0 3 319.449 2.119 20 30 DEEDHN Cc1csc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001134341642 788868232 /nfs/dbraw/zinc/86/82/32/788868232.db2.gz RCRRCJGCNRRNIJ-QWHCGFSZSA-N 0 3 307.463 2.484 20 30 DEEDHN CCc1nocc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134341986 788868818 /nfs/dbraw/zinc/86/88/18/788868818.db2.gz XETIVEQTCBEWCI-UONOGXRCSA-N 0 3 305.422 2.269 20 30 DEEDHN Cc1csc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001134325330 788871299 /nfs/dbraw/zinc/87/12/99/788871299.db2.gz BKEJISHXGSKSIR-VXGBXAGGSA-N 0 3 305.447 2.238 20 30 DEEDHN CCn1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)n1 ZINC001134330335 788876879 /nfs/dbraw/zinc/87/68/79/788876879.db2.gz YLXYLELMECHBDL-GJZGRUSLSA-N 0 3 318.465 2.325 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(Cl)n1C ZINC001134345066 788887347 /nfs/dbraw/zinc/88/73/47/788887347.db2.gz PCEMXZCIIFAFJA-STQMWFEESA-N 0 3 324.856 2.106 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H](C)C(C)C)cc1C#N ZINC001134651042 789016875 /nfs/dbraw/zinc/01/68/75/789016875.db2.gz BBOSYXZSTVVYOC-CYBMUJFWSA-N 0 3 303.406 2.065 20 30 DEEDHN C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001134710827 789045731 /nfs/dbraw/zinc/04/57/31/789045731.db2.gz ARCGLKAJCSFEAY-RYUDHWBXSA-N 0 3 318.421 2.122 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)C[C@H](C)CCCCC)C1=O ZINC001134821867 789100491 /nfs/dbraw/zinc/10/04/91/789100491.db2.gz STPNDRQVMPRGFB-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCc1ccc(F)cc1 ZINC001135058725 789179459 /nfs/dbraw/zinc/17/94/59/789179459.db2.gz ZZHVSCPBMGUMII-IRXDYDNUSA-N 0 3 320.408 2.403 20 30 DEEDHN C=CC1(CC(=O)NCCNCC(=O)N[C@@H](C)CC)CCCCC1 ZINC001135190746 789230431 /nfs/dbraw/zinc/23/04/31/789230431.db2.gz LHAATPVYRHFYGO-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)NCc2nccn2C)cc1 ZINC001135185108 789237278 /nfs/dbraw/zinc/23/72/78/789237278.db2.gz UJFHRDKXJZFVBB-CABCVRRESA-N 0 3 324.428 2.088 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2cccs2)C1 ZINC001070391859 789303069 /nfs/dbraw/zinc/30/30/69/789303069.db2.gz GQKZJQNWAQMIMQ-LBPRGKRZSA-N 0 3 316.430 2.377 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC2(C)C)C1 ZINC001070404931 789313750 /nfs/dbraw/zinc/31/37/50/789313750.db2.gz UMAIMBGJJNGHFE-TZMCWYRMSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001070737531 789443538 /nfs/dbraw/zinc/44/35/38/789443538.db2.gz CCOVSNBYLLVTPB-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cc1ccoc1)C[C@H](C)O2 ZINC001071159728 789565125 /nfs/dbraw/zinc/56/51/25/789565125.db2.gz QLEFCZJEUQCUMZ-YJBOKZPZSA-N 0 3 318.417 2.090 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)=C1CCC1)C[C@H](C)O2 ZINC001071169001 789572095 /nfs/dbraw/zinc/57/20/95/789572095.db2.gz KPOAFDNSLQXWML-KXBFYZLASA-N 0 3 316.445 2.202 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccsn1)C[C@H](C)O2 ZINC001071177706 789576951 /nfs/dbraw/zinc/57/69/51/789576951.db2.gz FHUYCUIINCMUCB-BBRMVZONSA-N 0 3 321.446 2.025 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C1CC1)C[C@H](C)O2 ZINC001071201753 789589086 /nfs/dbraw/zinc/58/90/86/789589086.db2.gz KIVHMBSCAOMYCY-HNAYVOBHSA-N 0 3 318.461 2.138 20 30 DEEDHN CC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(OCC#N)cc2)C1 ZINC001071282946 789624840 /nfs/dbraw/zinc/62/48/40/789624840.db2.gz 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ZINC001071622165 789820860 /nfs/dbraw/zinc/82/08/60/789820860.db2.gz GVJYDJIIFCWFSJ-UONOGXRCSA-N 0 3 312.417 2.342 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)CC[C@@H]1C ZINC001071693589 789869869 /nfs/dbraw/zinc/86/98/69/789869869.db2.gz SSTVXGWUBZBBER-SWLSCSKDSA-N 0 3 303.406 2.118 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(OCC)n2)CC[C@H]1C ZINC001071697886 789872574 /nfs/dbraw/zinc/87/25/74/789872574.db2.gz HPSOTXRBGNEUPY-ZBFHGGJFSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3n[nH]cc32)CC[C@H]1C ZINC001071727634 789891498 /nfs/dbraw/zinc/89/14/98/789891498.db2.gz BAVUZLXTBMRMLJ-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2c(F)cccc2F)CC[C@H]1C ZINC001071772576 789912511 /nfs/dbraw/zinc/91/25/11/789912511.db2.gz MXEXCLPRMOFYKC-KGLIPLIRSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3n[nH]cc3c2)CC[C@@H]1C ZINC001071776198 789914585 /nfs/dbraw/zinc/91/45/85/789914585.db2.gz NWLAMDNGEOPUMS-XJKSGUPXSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@H]1C ZINC001071836066 789936685 /nfs/dbraw/zinc/93/66/85/789936685.db2.gz SITLMYKITMJGRA-UKRRQHHQSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071848623 789941769 /nfs/dbraw/zinc/94/17/69/789941769.db2.gz VGDOVTWOGDJZGD-BEFAXECRSA-N 0 3 310.441 2.394 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2cc(Cl)cn2)CC[C@H]1C ZINC001071854537 789944396 /nfs/dbraw/zinc/94/43/96/789944396.db2.gz BTNGSXIZDAUKHG-OCCSQVGLSA-N 0 3 310.829 2.082 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3cccnn32)CC[C@@H]1C ZINC001071876438 789954607 /nfs/dbraw/zinc/95/46/07/789954607.db2.gz NBIJFSKOKANPIM-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(CC)oc2C)CC[C@@H]1C ZINC001071886264 789959627 /nfs/dbraw/zinc/95/96/27/789959627.db2.gz AKMZXZZIMHGPQZ-JSGCOSHPSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3[nH]cnc32)CC[C@@H]1C ZINC001071924363 789975352 /nfs/dbraw/zinc/97/53/52/789975352.db2.gz VVOOZZAXHLEZDQ-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2coc(CC3CC3)n2)CC[C@@H]1C ZINC001071950067 789983443 /nfs/dbraw/zinc/98/34/43/789983443.db2.gz DABNZRVCKGSFME-DZGCQCFKSA-N 0 3 315.417 2.233 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(C)nc2C(C)C)CC[C@H]1C ZINC001072068951 790038616 /nfs/dbraw/zinc/03/86/16/790038616.db2.gz DMLPKWPJYXWWRH-HUUCEWRRSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ncc3n2CCCC3)CC[C@@H]1C ZINC001072088636 790047913 /nfs/dbraw/zinc/04/79/13/790047913.db2.gz NYIBFHKKGLCQHD-GJZGRUSLSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNCc2cnns2)C1 ZINC001072337356 790118444 /nfs/dbraw/zinc/11/84/44/790118444.db2.gz XPCNHZOTRYCKHJ-OLZOCXBDSA-N 0 3 322.478 2.325 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cn(C(C)(C)C)nc3C)C2)C1 ZINC001072721049 790229248 /nfs/dbraw/zinc/22/92/48/790229248.db2.gz AUDZHCGCNJDQDD-UHFFFAOYSA-N 0 3 316.449 2.280 20 30 DEEDHN CCCc1cc(C(=O)NCCNCc2ccc(C#N)cc2)no1 ZINC001146289403 791255007 /nfs/dbraw/zinc/25/50/07/791255007.db2.gz YNUXEYLKGZHQCL-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001075091873 791456850 /nfs/dbraw/zinc/45/68/50/791456850.db2.gz ZBAPOVSFGUQHBI-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001075136566 791476422 /nfs/dbraw/zinc/47/64/22/791476422.db2.gz DSDGBZOTVFXKEZ-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC1(C(=O)NCCNCc2ccc(C#N)s2)CC(F)(F)C1 ZINC001147482838 791560681 /nfs/dbraw/zinc/56/06/81/791560681.db2.gz FDSLGFIJQLJHRA-UHFFFAOYSA-N 0 3 313.373 2.261 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCCc3csc(C)n3)C2)C1 ZINC001147565735 791581774 /nfs/dbraw/zinc/58/17/74/791581774.db2.gz IZFRDUMKXOSGSK-UHFFFAOYSA-N 0 3 319.474 2.495 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)nc1 ZINC001098246768 791595725 /nfs/dbraw/zinc/59/57/25/791595725.db2.gz SPSLSFPGGSEJDR-JFOHDYCDSA-N 0 3 315.392 2.146 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001098525252 791646269 /nfs/dbraw/zinc/64/62/69/791646269.db2.gz IUEYNJVXZRENNZ-QXSJWSMHSA-N 0 3 304.434 2.101 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1occc1C)C[C@@H](C)O2 ZINC001098564732 791652643 /nfs/dbraw/zinc/65/26/43/791652643.db2.gz DRQMRRCQLPHIEZ-OAHLLOKOSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccoc1)C[C@@H](C)O2 ZINC001098563216 791652760 /nfs/dbraw/zinc/65/27/60/791652760.db2.gz VJSHZIQIEYXTBN-CQSZACIVSA-N 0 3 304.390 2.161 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cc3ccccc3o2)cn1 ZINC001148382827 791742849 /nfs/dbraw/zinc/74/28/49/791742849.db2.gz GZOBXDAPQAFHLE-UHFFFAOYSA-N 0 3 319.364 2.329 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001148728194 791794743 /nfs/dbraw/zinc/79/47/43/791794743.db2.gz ZRDPQWHYDCERSN-UHFFFAOYSA-N 0 3 313.486 2.310 20 30 DEEDHN COc1ccc(CC(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001148880826 791817841 /nfs/dbraw/zinc/81/78/41/791817841.db2.gz BXGVBWIDSIACJC-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cnccc3C)C2)CC1 ZINC001086913348 791848548 /nfs/dbraw/zinc/84/85/48/791848548.db2.gz MXQXGTALCABDHC-MRXNPFEDSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCOC3)C2)CC1 ZINC001086913965 791849350 /nfs/dbraw/zinc/84/93/50/791849350.db2.gz BWRZRUUJCUKBDV-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(C)sn3)C2)CC1 ZINC001086918282 791850529 /nfs/dbraw/zinc/85/05/29/791850529.db2.gz JMSKKQJBHSWTCA-CYBMUJFWSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cncc(F)c3)C2)CC1 ZINC001086915884 791854926 /nfs/dbraw/zinc/85/49/26/791854926.db2.gz VWZFEXFXISJDME-CQSZACIVSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)c(OC)c3)C[C@]2(C)C1 ZINC001091834689 791887648 /nfs/dbraw/zinc/88/76/48/791887648.db2.gz WJSPGZQCOSKHKM-APWZRJJASA-N 0 3 312.413 2.031 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(CC)s3)C[C@]2(C)C1 ZINC001091829933 791887769 /nfs/dbraw/zinc/88/77/69/791887769.db2.gz ONJNJNCLMOFKCR-DYVFJYSZSA-N 0 3 302.443 2.338 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3cc(C)ccc3C)C[C@]2(C)C1 ZINC001091972126 791916521 /nfs/dbraw/zinc/91/65/21/791916521.db2.gz XCOKCSAUJHSYKQ-QUCCMNQESA-N 0 3 310.441 2.259 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC001092051380 791924961 /nfs/dbraw/zinc/92/49/61/791924961.db2.gz BUTIDJAPADGNSX-APWZRJJASA-N 0 3 307.397 2.195 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(OC)c(C)c3)C[C@]2(C)C1 ZINC001092099174 791932253 /nfs/dbraw/zinc/93/22/53/791932253.db2.gz IQCCHFJPEQLCNW-APWZRJJASA-N 0 3 312.413 2.031 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccc(CC)c2)C1 ZINC001098907804 791981839 /nfs/dbraw/zinc/98/18/39/791981839.db2.gz OBBGSHSTLQZZDZ-ICSRJNTNSA-N 0 3 310.441 2.395 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)ccn2)C1 ZINC001098969362 792008059 /nfs/dbraw/zinc/00/80/59/792008059.db2.gz JDWZWTHYEBLYDP-KSSFIOAISA-N 0 3 315.417 2.251 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001099001945 792029518 /nfs/dbraw/zinc/02/95/18/792029518.db2.gz OAJOMHJNBJPJOY-BXWFABGCSA-N 0 3 311.429 2.268 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cncs1 ZINC001099116082 792102532 /nfs/dbraw/zinc/10/25/32/792102532.db2.gz NROGBDWCJXPLIN-CYBMUJFWSA-N 0 3 307.463 2.478 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc3ccc(C)nc32)[C@H](C)C1 ZINC001092713260 792116929 /nfs/dbraw/zinc/11/69/29/792116929.db2.gz KWFCMZXOIDUUBS-RHSMWYFYSA-N 0 3 321.424 2.474 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc(C)o2)C[C@H]1C(F)(F)F ZINC001099238811 792148299 /nfs/dbraw/zinc/14/82/99/792148299.db2.gz IIWXEFSQCFVPDC-CHWSQXEVSA-N 0 3 316.323 2.295 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)NC(C)=O ZINC001099269747 792156104 /nfs/dbraw/zinc/15/61/04/792156104.db2.gz DGTJEYRCEIEPTM-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1C(F)(F)F ZINC001099298192 792164018 /nfs/dbraw/zinc/16/40/18/792164018.db2.gz VHKNUBUFAUOWBB-RRFJBIMHSA-N 0 3 324.346 2.491 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@H](C)C1 ZINC001093073029 792226132 /nfs/dbraw/zinc/22/61/32/792226132.db2.gz KIDXJFYQRBJAFF-TZMCWYRMSA-N 0 3 320.820 2.280 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(CF)CC2)CC1 ZINC001093378064 792349462 /nfs/dbraw/zinc/34/94/62/792349462.db2.gz JLAMLWBKQQCCJF-INIZCTEOSA-N 0 3 318.436 2.462 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](O)C1 ZINC001100064805 792460637 /nfs/dbraw/zinc/46/06/37/792460637.db2.gz RMNMPADEHKOEBI-NEPJUHHUSA-N 0 3 322.371 2.093 20 30 DEEDHN O=C(/C=C/C1CC1)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100219160 792524517 /nfs/dbraw/zinc/52/45/17/792524517.db2.gz SAFBFOGDBOIEFS-ZHACJKMWSA-N 0 3 308.425 2.489 20 30 DEEDHN O=C(C#CC1CC1)NCC1CC(NCc2cccc(F)c2F)C1 ZINC001100314846 792586769 /nfs/dbraw/zinc/58/67/69/792586769.db2.gz GPAYHSGJZHCKAA-UHFFFAOYSA-N 0 3 318.367 2.363 20 30 DEEDHN C#CCC1(C(=O)NCC2CC(NCc3ccccn3)C2)CCC1 ZINC001100396665 792627672 /nfs/dbraw/zinc/62/76/72/792627672.db2.gz MSAWBUHMYKNQLI-UHFFFAOYSA-N 0 3 311.429 2.260 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2cc(OC)ccn2)C1 ZINC001100622404 792754869 /nfs/dbraw/zinc/75/48/69/792754869.db2.gz PGJMDFBIUDQXFE-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100645137 792765671 /nfs/dbraw/zinc/76/56/71/792765671.db2.gz VOWGWDPTLJTBML-JTTJXQCZSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)CCCOC)C1 ZINC001100838604 792876717 /nfs/dbraw/zinc/87/67/17/792876717.db2.gz KYNUNRLHXVPYRB-XGNXJENSSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C(C)(C)C)C1 ZINC001100901781 792907928 /nfs/dbraw/zinc/90/79/28/792907928.db2.gz ODUSPUBULDHCBU-UHFFFAOYSA-N 0 3 303.244 2.426 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc4c[nH]nc43)CCC[C@@H]12 ZINC001094484554 792933920 /nfs/dbraw/zinc/93/39/20/792933920.db2.gz KZHWFAYZJSPLEZ-VQIMIIECSA-N 0 3 322.412 2.171 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2nccs2)C1 ZINC001101002566 792961557 /nfs/dbraw/zinc/96/15/57/792961557.db2.gz FARSTZHKZUQLDS-UHFFFAOYSA-N 0 3 313.854 2.313 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)C(C)(C)C)c2)C1 ZINC001101097538 793017717 /nfs/dbraw/zinc/01/77/17/793017717.db2.gz VCZMYQYFWKRYBW-MRXNPFEDSA-N 0 3 317.433 2.383 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(C#N)cc2)CC1=O ZINC001171679760 793169779 /nfs/dbraw/zinc/16/97/79/793169779.db2.gz OIISIWHYDSOLAS-CQSZACIVSA-N 0 3 315.373 2.184 20 30 DEEDHN COCCCN1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319692 793398055 /nfs/dbraw/zinc/39/80/55/793398055.db2.gz PPFHSFCSISTBAQ-INIZCTEOSA-N 0 3 301.434 2.143 20 30 DEEDHN CCOC(=O)c1c(CN)ncn1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172293234 793406025 /nfs/dbraw/zinc/40/60/25/793406025.db2.gz SXLKMVBFYNHITK-LBPRGKRZSA-N 0 3 312.373 2.194 20 30 DEEDHN C[C@@H](CCCC#N)n1nc(C(=O)N2CCCC2)c2c1CCNC2 ZINC001172496760 793437893 /nfs/dbraw/zinc/43/78/93/793437893.db2.gz QFBTZHJKZWEMOF-ZDUSSCGKSA-N 0 3 315.421 2.020 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC001102196967 793527561 /nfs/dbraw/zinc/52/75/61/793527561.db2.gz HPVVORHVVJARGT-HZPDHXFCSA-N 0 3 320.477 2.147 20 30 DEEDHN C#CCN1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920978 793532046 /nfs/dbraw/zinc/53/20/46/793532046.db2.gz NBFOVZDTIULVAP-KRWDZBQOSA-N 0 3 313.401 2.093 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CCCC(C)C)[C@H](C)C1 ZINC001102397439 793602781 /nfs/dbraw/zinc/60/27/81/793602781.db2.gz HMLTUKLWDPTCCR-IAGOWNOFSA-N 0 3 308.466 2.147 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001110168192 793627316 /nfs/dbraw/zinc/62/73/16/793627316.db2.gz NMAZZNCEJHOFAH-ORQFMDKSSA-N 0 3 306.450 2.347 20 30 DEEDHN CC(=O)NCC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001102627688 793676934 /nfs/dbraw/zinc/67/69/34/793676934.db2.gz MGSOFFDDEXXZCB-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CCCCN[C@H](C)c1nncn1C ZINC001174978243 794110233 /nfs/dbraw/zinc/11/02/33/794110233.db2.gz JADBGMLRBZGCQX-LSDHHAIUSA-N 0 3 321.469 2.497 20 30 DEEDHN CCN1CCN(c2ccc(Nc3cnn(C)c3C#N)cc2)CC1 ZINC001175782685 794286570 /nfs/dbraw/zinc/28/65/70/794286570.db2.gz UVPGDYWMUPBYPJ-UHFFFAOYSA-N 0 3 310.405 2.177 20 30 DEEDHN C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001103900885 794292686 /nfs/dbraw/zinc/29/26/86/794292686.db2.gz BHSZYZSZNDEXMO-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)COC)C[C@H]1C ZINC001103987614 794335941 /nfs/dbraw/zinc/33/59/41/794335941.db2.gz XMNBNHFYIJOGRT-YRGRVCCFSA-N 0 3 302.846 2.096 20 30 DEEDHN Cc1c[nH]cc1C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001176049753 794348011 /nfs/dbraw/zinc/34/80/11/794348011.db2.gz XWGBEKKFTUGILX-UHFFFAOYSA-N 0 3 314.364 2.244 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C ZINC001104140868 794395848 /nfs/dbraw/zinc/39/58/48/794395848.db2.gz VOZSXAQUFVUMFE-DFBGVHRSSA-N 0 3 314.857 2.238 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CCCC1 ZINC001111522381 794433211 /nfs/dbraw/zinc/43/32/11/794433211.db2.gz CHAWYNCMFCNHJI-OAGGEKHMSA-N 0 3 306.450 2.227 20 30 DEEDHN Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111740785 794463833 /nfs/dbraw/zinc/46/38/33/794463833.db2.gz NQIHGOOWQMHGGM-ICSRJNTNSA-N 0 3 323.440 2.274 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC2CCOCC2)C1 ZINC001111773539 794474851 /nfs/dbraw/zinc/47/48/51/794474851.db2.gz BMKULRXZFVZEKY-HKUYNNGSSA-N 0 3 318.461 2.187 20 30 DEEDHN C[C@H](CCCCNCC#N)NC(=O)c1ccccc1CN(C)C ZINC001176747419 794486164 /nfs/dbraw/zinc/48/61/64/794486164.db2.gz YPDOSUBYSHBDHP-OAHLLOKOSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C[C@@H](C(=O)NCCCNCc1cnc(C)cn1)c1ccccc1 ZINC001176785810 794493317 /nfs/dbraw/zinc/49/33/17/794493317.db2.gz NVYHWJHIZDDOLX-GOSISDBHSA-N 0 3 324.428 2.351 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CC=CC12CCCCC2 ZINC001176995387 794553716 /nfs/dbraw/zinc/55/37/16/794553716.db2.gz LHDUQQSZQNXNSP-UHFFFAOYSA-N 0 3 300.406 2.217 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001112215557 794573696 /nfs/dbraw/zinc/57/36/96/794573696.db2.gz GYTQUSKQRHITGE-CHWSQXEVSA-N 0 3 320.355 2.134 20 30 DEEDHN C#CCCCCC(=O)NCCCCCCNCc1nccn1C ZINC001178253968 794869874 /nfs/dbraw/zinc/86/98/74/794869874.db2.gz OTKWWCFIMFFSOQ-UHFFFAOYSA-N 0 3 318.465 2.380 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001150786707 794872032 /nfs/dbraw/zinc/87/20/32/794872032.db2.gz AXKQUQBBDSHOAU-QGZVFWFLSA-N 0 3 318.461 2.043 20 30 DEEDHN CO[C@H](C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178297165 794886179 /nfs/dbraw/zinc/88/61/79/794886179.db2.gz ZPJZBNINJZIOSF-RYRKJORJSA-N 0 3 314.429 2.042 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178297164 794886735 /nfs/dbraw/zinc/88/67/35/794886735.db2.gz ZPJZBNINJZIOSF-BQFCYCMXSA-N 0 3 314.429 2.042 20 30 DEEDHN C#CC[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC001178787031 794994197 /nfs/dbraw/zinc/99/41/97/794994197.db2.gz HWWQTMPLSGGRKC-HNNXBMFYSA-N 0 3 300.333 2.487 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C3CC3)n2)[C@@H]1C ZINC001178806062 794999936 /nfs/dbraw/zinc/99/99/36/794999936.db2.gz SHHCICYQWXVELG-JSGCOSHPSA-N 0 3 317.437 2.117 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179340213 795101955 /nfs/dbraw/zinc/10/19/55/795101955.db2.gz VZKJERHAALKNJG-OAHLLOKOSA-N 0 3 321.469 2.482 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)[C@H]1CC12CC2 ZINC001179598669 795140646 /nfs/dbraw/zinc/14/06/46/795140646.db2.gz LDTIABQSXHGZPM-JQHSSLGASA-N 0 3 308.425 2.417 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)[C@@H]1CC12CC2 ZINC001179598670 795140877 /nfs/dbraw/zinc/14/08/77/795140877.db2.gz LDTIABQSXHGZPM-SZMVWBNQSA-N 0 3 308.425 2.417 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001180253885 795265745 /nfs/dbraw/zinc/26/57/45/795265745.db2.gz MFEWIFZDUSTANG-HOTGVXAUSA-N 0 3 317.433 2.062 20 30 DEEDHN CN(C)Cc1ccccc1C(=O)NCCCCCCNCC#N ZINC001180366069 795291778 /nfs/dbraw/zinc/29/17/78/795291778.db2.gz XKPMRFXZLKZECO-UHFFFAOYSA-N 0 3 316.449 2.152 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001119729573 795346776 /nfs/dbraw/zinc/34/67/76/795346776.db2.gz RCGXFPLQNYJDNH-WBVHZDCISA-N 0 3 316.401 2.185 20 30 DEEDHN Cc1ncoc1CNC[C@]1(C)CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001181460751 795475698 /nfs/dbraw/zinc/47/56/98/795475698.db2.gz SLJIFNJHNRIZJN-RDTXWAMCSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001181512003 795482980 /nfs/dbraw/zinc/48/29/80/795482980.db2.gz XIOWXKYTYYWMLR-OAHLLOKOSA-N 0 3 301.365 2.354 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)CCCCC)C1 ZINC001181535509 795489607 /nfs/dbraw/zinc/48/96/07/795489607.db2.gz WJHPDMZHFACMDY-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCCOC)C2 ZINC001120707498 795516602 /nfs/dbraw/zinc/51/66/02/795516602.db2.gz PFEKPBUQYONZBS-UHFFFAOYSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cnc(C)cn3)C2)C1 ZINC001120819374 795536361 /nfs/dbraw/zinc/53/63/61/795536361.db2.gz WHMONWWKMRSALE-UHFFFAOYSA-N 0 3 314.433 2.268 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC001121894025 795699516 /nfs/dbraw/zinc/69/95/16/795699516.db2.gz CAIRVAVBAMELEA-KBMXLJTQSA-N 0 3 318.417 2.337 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@@H](C)COC)C2 ZINC001122001701 795714776 /nfs/dbraw/zinc/71/47/76/795714776.db2.gz VIJQFCOXZLEITN-NYKNNPSKSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OC)c(OC)c1C ZINC001122231898 795738391 /nfs/dbraw/zinc/73/83/91/795738391.db2.gz BNUSLXFASOLYGE-CQSZACIVSA-N 0 3 306.406 2.312 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCCSC[C@H]1c1cnn(C)c1 ZINC001122378171 795751931 /nfs/dbraw/zinc/75/19/31/795751931.db2.gz UJTLISABBHFYNI-CABCVRRESA-N 0 3 322.478 2.110 20 30 DEEDHN COc1ccc(CNCCNC(=O)c2ccccc2C)cc1C#N ZINC001122839865 795809187 /nfs/dbraw/zinc/80/91/87/795809187.db2.gz AQNYLPISMZXNLQ-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cncc(C)n1)CC2 ZINC001203167288 795878797 /nfs/dbraw/zinc/87/87/97/795878797.db2.gz FLVGVYSKEBYCNU-GOSISDBHSA-N 0 3 314.433 2.318 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C/C=C/c2ccccc2F)C1 ZINC001183601945 795901866 /nfs/dbraw/zinc/90/18/66/795901866.db2.gz MTBBNZNGEDFWHX-IQIBNGDESA-N 0 3 300.377 2.443 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001183630228 795909675 /nfs/dbraw/zinc/90/96/75/795909675.db2.gz YVHDFUATHZUNTL-MGPQQGTHSA-N 0 3 314.351 2.345 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cc(OC)no2)[C@H](C)C1 ZINC001184078511 795989706 /nfs/dbraw/zinc/98/97/06/795989706.db2.gz PDZMQTRMHKYBAJ-ZIAGYGMSSA-N 0 3 321.421 2.224 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCNCc1cc(F)ccc1C ZINC001124484697 796070758 /nfs/dbraw/zinc/07/07/58/796070758.db2.gz XIIFZFPXWKYXHE-AWEZNQCLSA-N 0 3 308.397 2.321 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)OCc2ccc(C)cc2)C1 ZINC001184668299 796102963 /nfs/dbraw/zinc/10/29/63/796102963.db2.gz IPZRDDIENZJQHK-FUHWJXTLSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC001184755792 796113973 /nfs/dbraw/zinc/11/39/73/796113973.db2.gz YHHJNBDHFRIUJD-MRXNPFEDSA-N 0 3 318.392 2.199 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001184815302 796132201 /nfs/dbraw/zinc/13/22/01/796132201.db2.gz RFKDDYMRLNYDFX-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN OC[C@@H]1CN(Cc2ccc(C#Cc3ccccc3)cc2)CC[C@H]1O ZINC001138335001 796199048 /nfs/dbraw/zinc/19/90/48/796199048.db2.gz BUPPRHFZIILVFW-LEWJYISDSA-N 0 3 321.420 2.262 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001185280600 796229441 /nfs/dbraw/zinc/22/94/41/796229441.db2.gz SFCSGNPOOQNEAH-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCc1ccc(C(=O)N[C@@]2(C)CCCN(C)C2)c(=O)[nH]1 ZINC001185371777 796252006 /nfs/dbraw/zinc/25/20/06/796252006.db2.gz MZXBBHGLPRHRSS-KRWDZBQOSA-N 0 3 303.406 2.120 20 30 DEEDHN C=C(C)COc1ccccc1CN1CCO[C@H](CN(C)C)C1 ZINC001138661691 796254358 /nfs/dbraw/zinc/25/43/58/796254358.db2.gz FAXSRHZZVSLHOW-QGZVFWFLSA-N 0 3 304.434 2.404 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202876576 796299756 /nfs/dbraw/zinc/29/97/56/796299756.db2.gz IDVDXARPRLSNSF-HUUCEWRRSA-N 0 3 317.458 2.320 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001185625709 796302480 /nfs/dbraw/zinc/30/24/80/796302480.db2.gz YIHQGSBLWKMTCJ-GDBMZVCRSA-N 0 3 302.393 2.218 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001185625710 796302533 /nfs/dbraw/zinc/30/25/33/796302533.db2.gz YIHQGSBLWKMTCJ-GOEBONIOSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1c(C)n[nH]c1C)C2 ZINC001139098064 796322575 /nfs/dbraw/zinc/32/25/75/796322575.db2.gz FRTVTXOWDMSDAE-RDJZCZTQSA-N 0 3 305.422 2.353 20 30 DEEDHN CC[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001186041514 796355178 /nfs/dbraw/zinc/35/51/78/796355178.db2.gz PKBQTNMOZCFUOP-ZWKOTPCHSA-N 0 3 320.477 2.433 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4cncn4)cc3)CCC2S1 ZINC001139329480 796359070 /nfs/dbraw/zinc/35/90/70/796359070.db2.gz YQPBUMYKKZUWIC-HNNXBMFYSA-N 0 3 312.398 2.041 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4cncn4)cc3)CC[C@@H]2S1 ZINC001139329480 796359075 /nfs/dbraw/zinc/35/90/75/796359075.db2.gz YQPBUMYKKZUWIC-HNNXBMFYSA-N 0 3 312.398 2.041 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001186205690 796370616 /nfs/dbraw/zinc/37/06/16/796370616.db2.gz DKKNYMAEYUNQSU-BPQIPLTHSA-N 0 3 312.413 2.013 20 30 DEEDHN C=CCn1cc(CN2CCC[C@]3(CCN(CC=C)C3=O)C2)cn1 ZINC001139769857 796424363 /nfs/dbraw/zinc/42/43/63/796424363.db2.gz SVMOGUHJLSMXCB-SFHVURJKSA-N 0 3 314.433 2.070 20 30 DEEDHN C=CCn1cc(CN2CC3(C2)CCN(Cc2cccnc2)C3)cn1 ZINC001139769569 796424740 /nfs/dbraw/zinc/42/47/40/796424740.db2.gz JHWROMHYJONIOH-UHFFFAOYSA-N 0 3 323.444 2.172 20 30 DEEDHN C=CCn1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cn1 ZINC001139769692 796425015 /nfs/dbraw/zinc/42/50/15/796425015.db2.gz NRANBZYYSBJTCN-RBUKOAKNSA-N 0 3 323.444 2.313 20 30 DEEDHN C=CCn1cc(CN2CC[C@@H](CC(=O)OCC)[C@H](C)C2)cn1 ZINC001139774492 796425963 /nfs/dbraw/zinc/42/59/63/796425963.db2.gz HWEWRMQLHLBKCU-ZBFHGGJFSA-N 0 3 305.422 2.480 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001187083277 796486083 /nfs/dbraw/zinc/48/60/83/796486083.db2.gz BRFKMSSYXLONQB-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001187588977 796550227 /nfs/dbraw/zinc/55/02/27/796550227.db2.gz PHJTWWGJQSRLNL-MRXNPFEDSA-N 0 3 309.413 2.314 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1c(C)nn(C)c1C)C2 ZINC001203057916 796557017 /nfs/dbraw/zinc/55/70/17/796557017.db2.gz ILYFNWQZKSLAOQ-WMZOPIPTSA-N 0 3 319.449 2.363 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c(C)nn(C)c1C)C2 ZINC001203057914 796557020 /nfs/dbraw/zinc/55/70/20/796557020.db2.gz ILYFNWQZKSLAOQ-FUHWJXTLSA-N 0 3 319.449 2.363 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001187706628 796565531 /nfs/dbraw/zinc/56/55/31/796565531.db2.gz MGMZMHAKJFJKRH-GOEBONIOSA-N 0 3 317.458 2.022 20 30 DEEDHN CNc1nc(SC)ncc1CN1CCC2SC(=O)C=C2C1 ZINC001140837537 796580750 /nfs/dbraw/zinc/58/07/50/796580750.db2.gz QVYYPJMNTTZZST-LLVKDONJSA-N 0 3 322.459 2.014 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)c2ccc(OC)cc2)C1 ZINC001188040762 796614686 /nfs/dbraw/zinc/61/46/86/796614686.db2.gz XAFPTPLFHGWKMC-SJLPKXTDSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(Cl)cc3c2OCC3)C1 ZINC001188203129 796639897 /nfs/dbraw/zinc/63/98/97/796639897.db2.gz CSWVECMKWSUDLW-CQSZACIVSA-N 0 3 318.804 2.102 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001188286820 796655681 /nfs/dbraw/zinc/65/56/81/796655681.db2.gz BOAHBDDVRXADRI-CQSZACIVSA-N 0 3 323.824 2.018 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001188310191 796656025 /nfs/dbraw/zinc/65/60/25/796656025.db2.gz QXDREOMPWKDHSS-BLLLJJGKSA-N 0 3 324.371 2.246 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001188302126 796660762 /nfs/dbraw/zinc/66/07/62/796660762.db2.gz TVMUHWKFIJYOPY-CZUORRHYSA-N 0 3 306.381 2.107 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2c(C)oc3ccccc32)C1 ZINC001188495138 796677976 /nfs/dbraw/zinc/67/79/76/796677976.db2.gz JKOQXOXMDZDAOG-OAHLLOKOSA-N 0 3 310.397 2.498 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C1 ZINC001189061759 796761900 /nfs/dbraw/zinc/76/19/00/796761900.db2.gz KVRDYVGGKJYDSH-YYIAUSFCSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc3[nH]cnc32)C1 ZINC001142700078 796764170 /nfs/dbraw/zinc/76/41/70/796764170.db2.gz JAVRCIPCGBHRGM-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001189361952 796819071 /nfs/dbraw/zinc/81/90/71/796819071.db2.gz FGOHLYXJHSVCMB-OAHLLOKOSA-N 0 3 308.447 2.292 20 30 DEEDHN Cc1cccc(OCCN(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1 ZINC001189401577 796822974 /nfs/dbraw/zinc/82/29/74/796822974.db2.gz YVNJHJIWHNNFGI-JKSUJKDBSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](N(C)CCOC2CCC2)C1 ZINC001189575484 796852009 /nfs/dbraw/zinc/85/20/09/796852009.db2.gz UWUNKGGIJRWROR-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001149804695 796897808 /nfs/dbraw/zinc/89/78/08/796897808.db2.gz UFWXPUHCBMJDAT-IAGOWNOFSA-N 0 3 324.465 2.141 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001149921637 796906303 /nfs/dbraw/zinc/90/63/03/796906303.db2.gz RINDKSIPLCADBD-NVXWUHKLSA-N 0 3 312.429 2.135 20 30 DEEDHN C=CCOCCN1CCCO[C@@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001150109951 796921837 /nfs/dbraw/zinc/92/18/37/796921837.db2.gz UEGHHRLKQANYGS-KRWDZBQOSA-N 0 3 324.465 2.143 20 30 DEEDHN C#CCCCCCC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150138821 796923251 /nfs/dbraw/zinc/92/32/51/796923251.db2.gz GBFPWTULEMHDFD-MRXNPFEDSA-N 0 3 312.429 2.137 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CN(CCOC2CCC2)CCCO1 ZINC001150202682 796927949 /nfs/dbraw/zinc/92/79/49/796927949.db2.gz HRPWGXQRXKJFIS-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001150645668 796964394 /nfs/dbraw/zinc/96/43/94/796964394.db2.gz FMQOUQLDDGIZRD-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001190338022 796982671 /nfs/dbraw/zinc/98/26/71/796982671.db2.gz XAXDXNBRQQELCE-FUHWJXTLSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H](OCC)C(=C)C)C1 ZINC001190443988 796998331 /nfs/dbraw/zinc/99/83/31/796998331.db2.gz MNHQANSQDVKDMW-SJORKVTESA-N 0 3 324.465 2.093 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CC(F)(F)F)CC1 ZINC001151001219 796999422 /nfs/dbraw/zinc/99/94/22/796999422.db2.gz VTCIUXLOBRSUMZ-UHFFFAOYSA-N 0 3 308.344 2.112 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2scnc2CC)C1 ZINC001190526904 797019261 /nfs/dbraw/zinc/01/92/61/797019261.db2.gz DJGMXKHNEHURGA-ZDUSSCGKSA-N 0 3 323.462 2.054 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001190526913 797019740 /nfs/dbraw/zinc/01/97/40/797019740.db2.gz DSFWFISKTPUQEH-KGLIPLIRSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC001190663002 797042519 /nfs/dbraw/zinc/04/25/19/797042519.db2.gz ACQFBOAMFJYQCT-AWEZNQCLSA-N 0 3 324.371 2.314 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H](C)COC ZINC001152352919 797175946 /nfs/dbraw/zinc/17/59/46/797175946.db2.gz PAOYFFMUGGKYKP-HUUCEWRRSA-N 0 3 317.433 2.167 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](N(C)CCOC2CCC2)C1 ZINC001191858837 797267966 /nfs/dbraw/zinc/26/79/66/797267966.db2.gz CHHKIEZZVUMJGB-INIZCTEOSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001191867479 797277897 /nfs/dbraw/zinc/27/78/97/797277897.db2.gz BXXJFUYNQGFYOG-KGLIPLIRSA-N 0 3 318.408 2.403 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](N(C)CCOCC2CC2)C1 ZINC001191868172 797278967 /nfs/dbraw/zinc/27/89/67/797278967.db2.gz PFQDNRMAEQELMR-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc[nH]c2CCC)C1 ZINC001191889232 797281206 /nfs/dbraw/zinc/28/12/06/797281206.db2.gz CBSVMWQMXGGGOB-OAHLLOKOSA-N 0 3 319.449 2.316 20 30 DEEDHN C=CCCOCC(=O)NCCNCc1cc2ccccc2o1 ZINC001153081633 797282130 /nfs/dbraw/zinc/28/21/30/797282130.db2.gz VJOFRYAZGJHVSY-UHFFFAOYSA-N 0 3 302.374 2.231 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccn(CC)c2C)C1 ZINC001191901149 797284177 /nfs/dbraw/zinc/28/41/77/797284177.db2.gz GSBIZHNNOVVJRT-MRXNPFEDSA-N 0 3 319.449 2.165 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001192045651 797311300 /nfs/dbraw/zinc/31/13/00/797311300.db2.gz HWOAWYSRQVRAHX-WMZOPIPTSA-N 0 3 314.429 2.062 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC001192102494 797317467 /nfs/dbraw/zinc/31/74/67/797317467.db2.gz SSVPVCNNLIORIQ-HNNXBMFYSA-N 0 3 306.381 2.313 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnn1[C@H](C)CC ZINC001153667083 797373085 /nfs/dbraw/zinc/37/30/85/797373085.db2.gz KSEMMWNMIBKIQL-HUUCEWRRSA-N 0 3 304.438 2.318 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCOc1cccc(F)c1 ZINC001153699622 797378583 /nfs/dbraw/zinc/37/85/83/797378583.db2.gz LAILJJDSSCWXHC-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 ZINC001192443894 797390557 /nfs/dbraw/zinc/39/05/57/797390557.db2.gz FJYRORGKWGCBPC-HZPDHXFCSA-N 0 3 308.422 2.333 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001192809590 797452466 /nfs/dbraw/zinc/45/24/66/797452466.db2.gz VPINFQXWZQXCFO-OAHLLOKOSA-N 0 3 304.438 2.475 20 30 DEEDHN CCCC[C@@](C)(F)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001154075068 797456864 /nfs/dbraw/zinc/45/68/64/797456864.db2.gz XHNQJNRDSDLONL-NVXWUHKLSA-N 0 3 314.445 2.381 20 30 DEEDHN CN(CCN(C)C(=O)c1cnccc1C#N)Cc1ccccc1 ZINC001192974317 797485036 /nfs/dbraw/zinc/48/50/36/797485036.db2.gz SBZVLDZTPJQZJB-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001154415297 797530430 /nfs/dbraw/zinc/53/04/30/797530430.db2.gz MCAXHRPDYRRRNV-TVFCKZIOSA-N 0 3 320.477 2.289 20 30 DEEDHN CC(C)SCC(=O)NCCCNCc1ccccc1C#N ZINC001154803283 797614605 /nfs/dbraw/zinc/61/46/05/797614605.db2.gz XIIAUAOWRUUOIB-UHFFFAOYSA-N 0 3 305.447 2.296 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC001193807345 797628779 /nfs/dbraw/zinc/62/87/79/797628779.db2.gz ZROJNGDBGJMWMA-CQSZACIVSA-N 0 3 324.371 2.314 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCc2ccc(C)o2)C1 ZINC001194229654 797690172 /nfs/dbraw/zinc/69/01/72/797690172.db2.gz ZMTNVCVSNLGOIM-INIZCTEOSA-N 0 3 320.433 2.256 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1C#N ZINC001155254565 797719312 /nfs/dbraw/zinc/71/93/12/797719312.db2.gz MWHALYWTKWWNLT-SECBINFHSA-N 0 3 308.301 2.220 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](OCC)c2ccccc2)C1 ZINC001194420169 797725099 /nfs/dbraw/zinc/72/50/99/797725099.db2.gz OPDJIGQUQVBGHL-DLBZAZTESA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCc1nc(C)cs1 ZINC001155426388 797754922 /nfs/dbraw/zinc/75/49/22/797754922.db2.gz ATBFEMXUGFLDIP-CYBMUJFWSA-N 0 3 311.451 2.029 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCC=C(Cl)Cl ZINC001155446826 797758886 /nfs/dbraw/zinc/75/88/86/797758886.db2.gz OMYJDOCLDPJCSE-NSHDSACASA-N 0 3 309.237 2.383 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1c[nH]c2c1cccc2C ZINC001155645036 797814944 /nfs/dbraw/zinc/81/49/44/797814944.db2.gz XCLGZFMTRBCNKW-OAHLLOKOSA-N 0 3 311.429 2.479 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCn2ccnc2)C12CCC2 ZINC001203239811 797823300 /nfs/dbraw/zinc/82/33/00/797823300.db2.gz KOXBLOJHDCAPAY-UONOGXRCSA-N 0 3 322.840 2.043 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001155710451 797832996 /nfs/dbraw/zinc/83/29/96/797832996.db2.gz HJBJHUZBAQULJQ-GDBMZVCRSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1nsc2ccccc12 ZINC001155711833 797833189 /nfs/dbraw/zinc/83/31/89/797833189.db2.gz BRMNUBFSFODFBS-UHFFFAOYSA-N 0 3 319.430 2.095 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2nsnc21 ZINC001156125768 797930249 /nfs/dbraw/zinc/93/02/49/797930249.db2.gz LEENOSCOTHNZQD-GFCCVEGCSA-N 0 3 316.430 2.155 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001156602234 798040284 /nfs/dbraw/zinc/04/02/84/798040284.db2.gz TWECRKTVQXNCTG-VQIMIIECSA-N 0 3 314.429 2.152 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001196352034 798043024 /nfs/dbraw/zinc/04/30/24/798043024.db2.gz LMVABNPNACZGPG-HZPDHXFCSA-N 0 3 302.418 2.045 20 30 DEEDHN CN(CCN(C)C(=O)c1ncccc1C#N)Cc1ccccc1 ZINC001196553872 798075806 /nfs/dbraw/zinc/07/58/06/798075806.db2.gz XDQFDDXZXFZQHG-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN CO[C@@H](C)CCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156901179 798104419 /nfs/dbraw/zinc/10/44/19/798104419.db2.gz GRKSTUBXIKEKOI-ZDUSSCGKSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCC1(C(=O)N2CCCN(CCC[C@H](C)O)CC2)CCC1 ZINC001197076457 798144618 /nfs/dbraw/zinc/14/46/18/798144618.db2.gz ILIWASHPGOMDMC-INIZCTEOSA-N 0 3 308.466 2.428 20 30 DEEDHN C#CCCCC(=O)NCCCNCc1cc(O)ccc1Cl ZINC001157170631 798154662 /nfs/dbraw/zinc/15/46/62/798154662.db2.gz OLDBXTIRCMDPEU-UHFFFAOYSA-N 0 3 308.809 2.445 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001157387854 798192926 /nfs/dbraw/zinc/19/29/26/798192926.db2.gz IJVYKLTWBHUZCU-KBPBESRZSA-N 0 3 307.344 2.055 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)no1 ZINC001157521885 798221226 /nfs/dbraw/zinc/22/12/26/798221226.db2.gz AUBBMZXSGLPMJQ-OAHLLOKOSA-N 0 3 321.421 2.112 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)SC ZINC001157578007 798234164 /nfs/dbraw/zinc/23/41/64/798234164.db2.gz KUYAEAOCJQHYIW-HUUCEWRRSA-N 0 3 314.495 2.253 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1cccc(Cl)c1F ZINC001157705151 798263037 /nfs/dbraw/zinc/26/30/37/798263037.db2.gz NMNNKERXAFAGSU-UHFFFAOYSA-N 0 3 308.784 2.488 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001157880116 798296851 /nfs/dbraw/zinc/29/68/51/798296851.db2.gz LLQUROOBJFEAQH-OLZOCXBDSA-N 0 3 324.371 2.160 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001198304768 798310564 /nfs/dbraw/zinc/31/05/64/798310564.db2.gz LQVWZRMHIRXGHW-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001157999400 798324040 /nfs/dbraw/zinc/32/40/40/798324040.db2.gz IJGLRZUBFDKMHR-NVXWUHKLSA-N 0 3 318.465 2.327 20 30 DEEDHN C=C(C)CCN[C@@H](CNC(=O)COCC)c1ccccc1OC ZINC001198505922 798344317 /nfs/dbraw/zinc/34/43/17/798344317.db2.gz AUNIKHCYNIPSGB-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1snnc1CC ZINC001158194678 798356638 /nfs/dbraw/zinc/35/66/38/798356638.db2.gz INZVONKVSHMUNL-GFCCVEGCSA-N 0 3 308.451 2.213 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198605908 798365688 /nfs/dbraw/zinc/36/56/88/798365688.db2.gz MBXZCRDNHDVLJZ-OAHLLOKOSA-N 0 3 306.406 2.053 20 30 DEEDHN C=CCOCC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198606302 798366037 /nfs/dbraw/zinc/36/60/37/798366037.db2.gz QKEWHXULFBLNOU-HNNXBMFYSA-N 0 3 306.406 2.055 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)COCCC)c1ccccc1OC ZINC001198584978 798370167 /nfs/dbraw/zinc/37/01/67/798370167.db2.gz OYPSXLGLKQBISJ-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC=C)c2ccccc2)C1 ZINC001198880070 798412952 /nfs/dbraw/zinc/41/29/52/798412952.db2.gz KSLHHLLJIQIYMK-KZNAEPCWSA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001198976688 798423072 /nfs/dbraw/zinc/42/30/72/798423072.db2.gz WQXRNAVLODCORE-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1cn(C)nc1C ZINC001158549302 798426942 /nfs/dbraw/zinc/42/69/42/798426942.db2.gz BITBYNRWGGGHPB-QGZVFWFLSA-N 0 3 318.465 2.160 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001199002482 798428429 /nfs/dbraw/zinc/42/84/29/798428429.db2.gz VNFKWTNEQXZAQZ-ZFWWWQNUSA-N 0 3 306.406 2.053 20 30 DEEDHN C=CCCOCC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001199002611 798428730 /nfs/dbraw/zinc/42/87/30/798428730.db2.gz WMZXKHLZYTYODF-HNNXBMFYSA-N 0 3 306.406 2.055 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)CN(C)CCC 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/nfs/dbraw/zinc/41/41/74/800414174.db2.gz NTIBRJSLZMMWRI-UHFFFAOYSA-N 0 3 318.421 2.063 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934844933 800475561 /nfs/dbraw/zinc/47/55/61/800475561.db2.gz XSRGTWUSFFEGTG-RYRKJORJSA-N 0 3 321.465 2.179 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(F)cn3)C2)C1=O ZINC001207039502 800664762 /nfs/dbraw/zinc/66/47/62/800664762.db2.gz RPNMMVXKASTBNW-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccnc(CC)n3)C2)C1=O ZINC001207086812 800679443 /nfs/dbraw/zinc/67/94/43/800679443.db2.gz VGCOHDNXDAQMKR-GOSISDBHSA-N 0 3 314.433 2.040 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2c(C)noc2C)CC1 ZINC001207140304 800691795 /nfs/dbraw/zinc/69/17/95/800691795.db2.gz QCPHFXYMUGSOMZ-UHFFFAOYSA-N 0 3 318.465 2.083 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cncc(C)c2)CC1 ZINC001207160829 800700046 /nfs/dbraw/zinc/70/00/46/800700046.db2.gz FQYNGPLHGQWGEL-UHFFFAOYSA-N 0 3 314.477 2.182 20 30 DEEDHN C=CCN(CCN1CC(N2CCCC2)C1)C(=O)OC(C)(C)C ZINC001207205116 800708439 /nfs/dbraw/zinc/70/84/39/800708439.db2.gz FCCHDQFFGCLRDQ-UHFFFAOYSA-N 0 3 309.454 2.190 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnc1C(C)C)C2 ZINC001111101107 800718135 /nfs/dbraw/zinc/71/81/35/800718135.db2.gz LTTIQDLEJVJFOL-OAGGEKHMSA-N 0 3 316.449 2.304 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001207470990 800761520 /nfs/dbraw/zinc/76/15/20/800761520.db2.gz VDEBGZIBEFNZCG-HZPDHXFCSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H](NCc2ccccn2)C1 ZINC001207759076 800824630 /nfs/dbraw/zinc/82/46/30/800824630.db2.gz OJSVKHXFSXBMRV-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@@H](NC[C@H](F)CC)C1 ZINC001207758754 800825230 /nfs/dbraw/zinc/82/52/30/800825230.db2.gz GMMDGWNJNKRBEX-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001207941380 800869158 /nfs/dbraw/zinc/86/91/58/800869158.db2.gz USUKSUHIWGMJAW-NVXWUHKLSA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001208255857 800941987 /nfs/dbraw/zinc/94/19/87/800941987.db2.gz SDWLHTYYOAQSNP-CQSZACIVSA-N 0 3 317.437 2.119 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NCC(C)C)C1 ZINC001208261564 800943511 /nfs/dbraw/zinc/94/35/11/800943511.db2.gz PFUDZWMXKBWNEK-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001208399054 800975439 /nfs/dbraw/zinc/97/54/39/800975439.db2.gz NZEOFCMKOPVGRG-GDBMZVCRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001208570967 801014665 /nfs/dbraw/zinc/01/46/65/801014665.db2.gz FPQLBNGDTBCPQH-QLFBSQMISA-N 0 3 306.406 2.022 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2(C(C)(F)F)CC2)C1 ZINC001208683932 801047386 /nfs/dbraw/zinc/04/73/86/801047386.db2.gz HUASTDJGHRPFKA-CHWSQXEVSA-N 0 3 316.392 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001208963584 801102916 /nfs/dbraw/zinc/10/29/16/801102916.db2.gz UCTGKUBYASEPMO-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001209344414 801173141 /nfs/dbraw/zinc/17/31/41/801173141.db2.gz DMVQYWLGHPLNTH-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NCC(C)C)C1 ZINC001209345927 801173227 /nfs/dbraw/zinc/17/32/27/801173227.db2.gz PCNSMRSBXYIXEC-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCc1nn(C)c2c1CN(CCC(C)(C)OC)CC2 ZINC001209406657 801184577 /nfs/dbraw/zinc/18/45/77/801184577.db2.gz RVFLLAODMZRDBE-UHFFFAOYSA-N 0 3 307.438 2.296 20 30 DEEDHN O=C1C=C2CN(Cc3cc4c(cn3)OCCC4)CCC2S1 ZINC001209502068 801201792 /nfs/dbraw/zinc/20/17/92/801201792.db2.gz SKOFSBIUPUFMAM-HNNXBMFYSA-N 0 3 302.399 2.181 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCCC(C)C)C1 ZINC001209775254 801280764 /nfs/dbraw/zinc/28/07/64/801280764.db2.gz HWIVAPXGBBLTHV-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ncoc2C(C)C)CC1 ZINC001229916040 801337180 /nfs/dbraw/zinc/33/71/80/801337180.db2.gz MCYAWFMZDRDCCS-UHFFFAOYSA-N 0 3 321.421 2.195 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cnn(C)c1 ZINC001230243835 801374999 /nfs/dbraw/zinc/37/49/99/801374999.db2.gz WKTXTLGZIAAJPR-HUUCEWRRSA-N 0 3 324.856 2.122 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC001230321316 801385312 /nfs/dbraw/zinc/38/53/12/801385312.db2.gz MOJTXEKLVZTSBV-RDJZCZTQSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001230327755 801387042 /nfs/dbraw/zinc/38/70/42/801387042.db2.gz HFGBILLBZBHOCR-NUEKZKHPSA-N 0 3 321.421 2.091 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cn1cccn1 ZINC001230771997 801488064 /nfs/dbraw/zinc/48/80/64/801488064.db2.gz AAZMUASPHGHMJM-MRXNPFEDSA-N 0 3 306.454 2.386 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2cccc(C)c2)C1 ZINC001211003640 801497659 /nfs/dbraw/zinc/49/76/59/801497659.db2.gz MXBQPTUWXKWOBM-NVXWUHKLSA-N 0 3 302.418 2.386 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230880561 801518706 /nfs/dbraw/zinc/51/87/06/801518706.db2.gz GZGSUIQCIBPEHX-INIZCTEOSA-N 0 3 323.481 2.016 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001211175704 801525516 /nfs/dbraw/zinc/52/55/16/801525516.db2.gz AYTMTBMMNUGBLC-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(C)o2)C1 ZINC001211318403 801546412 /nfs/dbraw/zinc/54/64/12/801546412.db2.gz NGQCSCKHPWOKTB-RHSMWYFYSA-N 0 3 320.433 2.160 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1OC ZINC001213357212 801600007 /nfs/dbraw/zinc/60/00/07/801600007.db2.gz KIENMLUKDZPYLX-BRWVUGGUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H](OC)C1 ZINC001213555244 801621879 /nfs/dbraw/zinc/62/18/79/801621879.db2.gz CXBWRXHHWNQABK-YLFCFFPRSA-N 0 3 306.450 2.204 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCCCC1CCOCC1 ZINC001231293534 801627872 /nfs/dbraw/zinc/62/78/72/801627872.db2.gz ODBILSQAGVXISO-NVXWUHKLSA-N 0 3 321.465 2.276 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1ccon1 ZINC001231395908 801654157 /nfs/dbraw/zinc/65/41/57/801654157.db2.gz QMZJLUBZRHOYCG-INIZCTEOSA-N 0 3 305.422 2.496 20 30 DEEDHN CSCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001214113972 801677313 /nfs/dbraw/zinc/67/73/13/801677313.db2.gz AUKMBJZJCVFOFK-BXUZGUMPSA-N 0 3 323.487 2.309 20 30 DEEDHN C=CCOc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1 ZINC001231622858 801698207 /nfs/dbraw/zinc/69/82/07/801698207.db2.gz KJFWOYRCMIZVLK-PIIMJCKOSA-N 0 3 314.429 2.454 20 30 DEEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001231622173 801699019 /nfs/dbraw/zinc/69/90/19/801699019.db2.gz PMCZUFCCYCPUDN-GOEBONIOSA-N 0 3 313.401 2.010 20 30 DEEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](NCc3cncs3)C2)CCC1 ZINC001214829715 801763052 /nfs/dbraw/zinc/76/30/52/801763052.db2.gz GWCKGFAPFMKOEY-UKRRQHHQSA-N 0 3 317.458 2.273 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001215367772 801848480 /nfs/dbraw/zinc/84/84/80/801848480.db2.gz VNPFXHWEVSKGHO-CKEIUWERSA-N 0 3 318.465 2.267 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001215436131 801861981 /nfs/dbraw/zinc/86/19/81/801861981.db2.gz FMOUZBJGGKASTM-OWCLPIDISA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1n[nH]c3c1CCC3)C2 ZINC001232426851 801878522 /nfs/dbraw/zinc/87/85/22/801878522.db2.gz KYVMKRZOUYRXSQ-RDTXWAMCSA-N 0 3 317.433 2.225 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C3CCCCC3)[C@H]2C1 ZINC001217200197 802053049 /nfs/dbraw/zinc/05/30/49/802053049.db2.gz ACLNEBAYCRGKEH-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CSC(C)C)[C@H]2C1 ZINC001217330903 802068576 /nfs/dbraw/zinc/06/85/76/802068576.db2.gz FSABHYQVTXWAHO-LSDHHAIUSA-N 0 3 312.479 2.006 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCSCC)[C@H]2C1 ZINC001217405826 802075136 /nfs/dbraw/zinc/07/51/36/802075136.db2.gz NCQZUKGBYLWIBQ-LSDHHAIUSA-N 0 3 312.479 2.007 20 30 DEEDHN Cc1cc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc[nH+]1 ZINC001233388067 802103584 /nfs/dbraw/zinc/10/35/84/802103584.db2.gz KFIGMVQHJSIDEZ-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CN(CC(C)C)C[C@@H]21 ZINC001217997416 802128116 /nfs/dbraw/zinc/12/81/16/802128116.db2.gz DJLVETKXOADBCH-DLBZAZTESA-N 0 3 306.450 2.322 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H]2CN(CCCCCF)C[C@@H]21 ZINC001218041681 802136842 /nfs/dbraw/zinc/13/68/42/802136842.db2.gz YPSCMLXWDBHZNG-JKSUJKDBSA-N 0 3 312.429 2.394 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCC(C)(F)F)[C@H]2C1 ZINC001218195090 802154150 /nfs/dbraw/zinc/15/41/50/802154150.db2.gz CMASRFMQBIOJSU-UONOGXRCSA-N 0 3 316.392 2.300 20 30 DEEDHN CC(C)CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001233695314 802184186 /nfs/dbraw/zinc/18/41/86/802184186.db2.gz RHXDSBXNRJDIOP-OAHLLOKOSA-N 0 3 302.422 2.469 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cncn1 ZINC001233762191 802201758 /nfs/dbraw/zinc/20/17/58/802201758.db2.gz QSAIBKFEVUFXIC-JKSUJKDBSA-N 0 3 321.469 2.342 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccco3)[C@H]2C1 ZINC001218618904 802216073 /nfs/dbraw/zinc/21/60/73/802216073.db2.gz ZFZDYJLOCDEAKB-YQQAZPJKSA-N 0 3 318.417 2.261 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1ccnn1C ZINC001234021407 802269788 /nfs/dbraw/zinc/26/97/88/802269788.db2.gz NOHCRTSMLSUHEM-QGZVFWFLSA-N 0 3 320.481 2.466 20 30 DEEDHN CN[C@H](C(=O)Nc1cccc(CC#N)c1)[C@@H](C)OC(C)(C)C ZINC001218987564 802270732 /nfs/dbraw/zinc/27/07/32/802270732.db2.gz JJCFCYCQQWTEQF-DOMZBBRYSA-N 0 3 303.406 2.483 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001234057953 802283290 /nfs/dbraw/zinc/28/32/90/802283290.db2.gz FQYDWQRJLZOOPN-OAHLLOKOSA-N 0 3 321.469 2.415 20 30 DEEDHN N#Cc1cc(O)cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001234143536 802308995 /nfs/dbraw/zinc/30/89/95/802308995.db2.gz DFYRNKZXZWNEPX-KOMQPUFPSA-N 0 3 302.374 2.286 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCc2ccc(C)cc2)C[C@@H]1O ZINC001219335210 802312439 /nfs/dbraw/zinc/31/24/39/802312439.db2.gz UVCMAWHLDIBPKD-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN CO[C@@H](CN1CC[C@@H]1CN(C)C(=O)C#CC1CC1)C1CCCC1 ZINC001234186305 802320649 /nfs/dbraw/zinc/32/06/49/802320649.db2.gz GPRVNHOEESYSOV-MSOLQXFVSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1 ZINC001234246881 802333098 /nfs/dbraw/zinc/33/30/98/802333098.db2.gz UOPQMCMXGZEXTQ-SJLPKXTDSA-N 0 3 314.429 2.320 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCC1=CCCCC1 ZINC001234265067 802337838 /nfs/dbraw/zinc/33/78/38/802337838.db2.gz GWFQFOYIDJBANY-AEFFLSMTSA-N 0 3 318.461 2.448 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001219510767 802339449 /nfs/dbraw/zinc/33/94/49/802339449.db2.gz FJYRORGKWGCBPC-CVEARBPZSA-N 0 3 308.422 2.333 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001234322455 802351775 /nfs/dbraw/zinc/35/17/75/802351775.db2.gz IJWRBCVHXHSIGT-HUUCEWRRSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001219957123 802394083 /nfs/dbraw/zinc/39/40/83/802394083.db2.gz YKDUMDMZOXBASX-LYRGGWFBSA-N 0 3 322.474 2.495 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 ZINC001220094414 802410223 /nfs/dbraw/zinc/41/02/23/802410223.db2.gz RCVWTTOLUHOALT-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220134127 802412984 /nfs/dbraw/zinc/41/29/84/802412984.db2.gz YZSKJUHQHNRWMV-USQNJUIBSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001234604776 802428409 /nfs/dbraw/zinc/42/84/09/802428409.db2.gz VYBMNLJZHJSWFB-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C#Cc1ccc(CNC(=O)[C@@H](N)Cc2ccc(C)cc2C)cc1 ZINC001220381631 802451848 /nfs/dbraw/zinc/45/18/48/802451848.db2.gz MASWLJCVCZPPAR-IBGZPJMESA-N 0 3 306.409 2.471 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001220430397 802459423 /nfs/dbraw/zinc/45/94/23/802459423.db2.gz VFDJVURIWFIMKF-NXHRZFHOSA-N 0 3 316.445 2.226 20 30 DEEDHN N#Cc1ccccc1OCCCNC(=O)[C@@H](N)C1CCCCC1 ZINC001220685057 802487487 /nfs/dbraw/zinc/48/74/87/802487487.db2.gz LVYBCLZJHLGSLP-KRWDZBQOSA-N 0 3 315.417 2.351 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001220767053 802495880 /nfs/dbraw/zinc/49/58/80/802495880.db2.gz LVFMOIWPYYKEPI-IMJJTQAJSA-N 0 3 320.433 2.280 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CC=CCC3)[C@@H]2C1 ZINC001221256249 802543841 /nfs/dbraw/zinc/54/38/41/802543841.db2.gz QEVQYPYPXVJWRK-GVDBMIGSSA-N 0 3 304.434 2.078 20 30 DEEDHN CC(C)OCCCN1CC[C@@H]2CN(C(=O)C#CC(C)(C)C)[C@@H]2C1 ZINC001221539430 802590764 /nfs/dbraw/zinc/59/07/64/802590764.db2.gz YYYYMNFLPMWNPV-IAGOWNOFSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C(CC=C)CC=C)[C@@H]2C1 ZINC001221573821 802593498 /nfs/dbraw/zinc/59/34/98/802593498.db2.gz ZDVLTJOSPCDFCN-QZTJIDSGSA-N 0 3 318.461 2.490 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221657035 802601703 /nfs/dbraw/zinc/60/17/03/802601703.db2.gz GSVCYVUCFUDTRR-ZIAGYGMSSA-N 0 3 313.873 2.002 20 30 DEEDHN C=CC1(CC(=O)N2C[C@H]3CCN(CCO)C[C@H]32)CCCCC1 ZINC001221864232 802622398 /nfs/dbraw/zinc/62/23/98/802622398.db2.gz PNMGIHIYWXCZDY-HZPDHXFCSA-N 0 3 306.450 2.038 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001222039862 802633872 /nfs/dbraw/zinc/63/38/72/802633872.db2.gz CRZODBNCNRVVDQ-QZTJIDSGSA-N 0 3 314.404 2.321 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC001222261949 802663840 /nfs/dbraw/zinc/66/38/40/802663840.db2.gz JAQDRRONLMRKNV-CVEARBPZSA-N 0 3 318.417 2.327 20 30 DEEDHN CCc1noc(C)c1CN1CCC(CNC(=O)[C@H](C)C#N)CC1 ZINC001222636834 802720200 /nfs/dbraw/zinc/72/02/00/802720200.db2.gz RGNAOCMOBPTDDD-GFCCVEGCSA-N 0 3 318.421 2.033 20 30 DEEDHN C=C(C)CCC(=O)NCC1CCN([C@@H](CCCC)C(N)=O)CC1 ZINC001223363128 802784697 /nfs/dbraw/zinc/78/46/97/802784697.db2.gz UWGZYADRXICOHY-INIZCTEOSA-N 0 3 323.481 2.215 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001224795758 802904280 /nfs/dbraw/zinc/90/42/80/802904280.db2.gz KHOLOIVCGWDQAX-GFCCVEGCSA-N 0 3 324.856 2.169 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2ccc(CC)cc2)CC1 ZINC001225333209 802956724 /nfs/dbraw/zinc/95/67/24/802956724.db2.gz OAFILEZGPQAJRE-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC001225515429 802976109 /nfs/dbraw/zinc/97/61/09/802976109.db2.gz IFXHSGPOUSXOSO-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCOCC(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001225626249 802992720 /nfs/dbraw/zinc/99/27/20/802992720.db2.gz VVFJMDIIYCSZHK-OAHLLOKOSA-N 0 3 300.418 2.155 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001225754894 803010541 /nfs/dbraw/zinc/01/05/41/803010541.db2.gz KHSRBIMACAEQFQ-QGZVFWFLSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001225946862 803032633 /nfs/dbraw/zinc/03/26/33/803032633.db2.gz MEBWQOVNHZIHQP-NFAWXSAZSA-N 0 3 300.830 2.083 20 30 DEEDHN Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)C#CC1CC1 ZINC001226112104 803055655 /nfs/dbraw/zinc/05/56/55/803055655.db2.gz UZEBOPIFWVNPRD-IAGOWNOFSA-N 0 3 311.429 2.320 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001226639969 803135059 /nfs/dbraw/zinc/13/50/59/803135059.db2.gz JIOLWWGFMHCLKL-CYBMUJFWSA-N 0 3 303.381 2.108 20 30 DEEDHN Cc1cccc(OCCN2CCC(NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001226648841 803136079 /nfs/dbraw/zinc/13/60/79/803136079.db2.gz OFUTYLMVEDTUCY-HNNXBMFYSA-N 0 3 315.417 2.114 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccoc2CC)CC1 ZINC001227132179 803205473 /nfs/dbraw/zinc/20/54/73/803205473.db2.gz VNMLGMGEASTNBY-UHFFFAOYSA-N 0 3 306.406 2.239 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)COCC(F)F ZINC001227714077 803270164 /nfs/dbraw/zinc/27/01/64/803270164.db2.gz XHHREFWVQLVZLS-GHMZBOCLSA-N 0 3 310.772 2.038 20 30 DEEDHN C#CCC1(C(=O)NC2CCN(CCOC(C)C)CC2)CCC1 ZINC001227762284 803277496 /nfs/dbraw/zinc/27/74/96/803277496.db2.gz BMTABRDRUXVAAA-UHFFFAOYSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001228130988 803323040 /nfs/dbraw/zinc/32/30/40/803323040.db2.gz UFKAIWBLYAMBIQ-ARFHVFGLSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1ccc(F)cn1 ZINC001330851651 1149314731 /nfs/dbraw/zinc/31/47/31/1149314731.db2.gz NRDVWGDNOULXMP-LBPRGKRZSA-N 0 3 313.804 2.390 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001370097536 1149388413 /nfs/dbraw/zinc/38/84/13/1149388413.db2.gz ZYSVVYRGLXLHBL-GHMZBOCLSA-N 0 3 303.328 2.069 20 30 DEEDHN C=CCn1cnn(CN2CCN(C)C[C@@H]2CC(C)C)c1=S ZINC001334708802 1150334956 /nfs/dbraw/zinc/33/49/56/1150334956.db2.gz WBLRWXJYRCZGPU-AWEZNQCLSA-N 0 3 309.483 2.220 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H](NCc1ccn(C)n1)C(C)C ZINC001331211879 1149397279 /nfs/dbraw/zinc/39/72/79/1149397279.db2.gz NVNSZHQYEIIEOL-OAHLLOKOSA-N 0 3 306.454 2.253 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)CCOC1CCC1 ZINC001418828953 1167991950 /nfs/dbraw/zinc/99/19/50/1167991950.db2.gz KUYFBHDUANRWEP-CABCVRRESA-N 0 3 307.438 2.028 20 30 DEEDHN Cc1nc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)co1 ZINC001331427170 1149442013 /nfs/dbraw/zinc/44/20/13/1149442013.db2.gz NLKSGRNMWMLLMN-CQSZACIVSA-N 0 3 311.385 2.085 20 30 DEEDHN Cc1nsc(C)c1CN[C@H](C)CN(C)C(=O)C#CC1CC1 ZINC001331440205 1149451805 /nfs/dbraw/zinc/45/18/05/1149451805.db2.gz RGKJQOVMAABPKT-LLVKDONJSA-N 0 3 305.447 2.110 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1c(F)cc(OC)cc1F ZINC001331562850 1149532435 /nfs/dbraw/zinc/53/24/35/1149532435.db2.gz BDUHDPMFPXKPQU-LLVKDONJSA-N 0 3 310.344 2.047 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)/C=C\C(C)(C)C)CC2)C1 ZINC001328115590 1148724938 /nfs/dbraw/zinc/72/49/38/1148724938.db2.gz DHXIOXWZLGTSAM-HJWRWDBZSA-N 0 3 319.493 2.383 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCc1cc(Br)ccc1C ZINC001574971849 1069313742 /nfs/dbraw/zinc/31/37/42/1069313742.db2.gz JARMYNHOYZLYEZ-ZDUSSCGKSA-N 0 3 309.207 2.114 20 30 DEEDHN Cc1c(C(=O)C(C#N)c2nccn2Cc2ccccc2)cnn1C ZINC001524683109 1070019502 /nfs/dbraw/zinc/01/95/02/1070019502.db2.gz LPDUHBLKNVJOBY-HNNXBMFYSA-N 0 3 319.368 2.463 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001351103420 1151470352 /nfs/dbraw/zinc/47/03/52/1151470352.db2.gz UMZJMVIEOGOTBB-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)N(CC)CC ZINC001499898010 1058356825 /nfs/dbraw/zinc/35/68/25/1058356825.db2.gz XDHLPYFOHZIMGK-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN(C(=O)c1[nH]c(C)nc1C)C1CCN(CC(=C)C)CC1 ZINC001500047439 1058449805 /nfs/dbraw/zinc/44/98/05/1058449805.db2.gz PEXUEKDVVHYKBK-UHFFFAOYSA-N 0 3 314.433 2.142 20 30 DEEDHN C#CCNC[C@H](NC(=O)c1cn[nH]c1)c1ccc2ccccc2c1 ZINC001500060205 1058460175 /nfs/dbraw/zinc/46/01/75/1058460175.db2.gz NGCWNJWECSHGOR-SFHVURJKSA-N 0 3 318.380 2.257 20 30 DEEDHN CCN(CC#CCOC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460990222 1058564442 /nfs/dbraw/zinc/56/44/42/1058564442.db2.gz YJHGRXKPVLLONR-HNNXBMFYSA-N 0 3 310.438 2.358 20 30 DEEDHN C=CCCC(=O)N1CC[C@@](C)(CNCc2nccnc2C)C1 ZINC001500323978 1058694231 /nfs/dbraw/zinc/69/42/31/1058694231.db2.gz CODUPIONJDIEHR-KRWDZBQOSA-N 0 3 302.422 2.079 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@](C)(CNCc2cc(C)no2)C1 ZINC001500342039 1058710660 /nfs/dbraw/zinc/71/06/60/1058710660.db2.gz VKVCYSBDDYMMPV-KRWDZBQOSA-N 0 3 303.406 2.115 20 30 DEEDHN C=C(C)CCC(=O)NCC1(C)CCN([C@H](C)C(=O)N(C)C)CC1 ZINC001500428534 1058776564 /nfs/dbraw/zinc/77/65/64/1058776564.db2.gz ILWRKRGMBNTFAX-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2coc(C3CC3)n2)CC1 ZINC001500451474 1058797173 /nfs/dbraw/zinc/79/71/73/1058797173.db2.gz LTGZHUXMILHPGD-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)Cc2ccccc2)C1 ZINC001500614393 1058963829 /nfs/dbraw/zinc/96/38/29/1058963829.db2.gz VKIILGVJSLDWOT-MRXNPFEDSA-N 0 3 320.383 2.326 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001500613894 1058964032 /nfs/dbraw/zinc/96/40/32/1058964032.db2.gz OJUADRMFUUUWEF-DZGCQCFKSA-N 0 3 318.408 2.045 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](C)[C@H](CNCc2cnc(C)o2)C1 ZINC001501132504 1059312985 /nfs/dbraw/zinc/31/29/85/1059312985.db2.gz IOLOACHVNWOHLU-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)Cc1cccnc1C ZINC001501198177 1059368661 /nfs/dbraw/zinc/36/86/61/1059368661.db2.gz XZPYOJOYMDMRHZ-UHFFFAOYSA-N 0 3 321.424 2.184 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC3(C(F)(F)F)CC3)C[C@@H]2C1 ZINC001501222224 1059383758 /nfs/dbraw/zinc/38/37/58/1059383758.db2.gz ZXSCLBQAHNZTCR-BETUJISGSA-N 0 3 314.351 2.133 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC001501537866 1059534682 /nfs/dbraw/zinc/53/46/82/1059534682.db2.gz QBWWUJQVYZXLAW-GFCCVEGCSA-N 0 3 310.829 2.166 20 30 DEEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)c1cc[nH]c1 ZINC001329030454 1148859192 /nfs/dbraw/zinc/85/91/92/1148859192.db2.gz AWNPWQNGKIITGT-KBPBESRZSA-N 0 3 313.376 2.302 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2(CC(C)C)CCCC2)CCO1 ZINC001502080810 1059913935 /nfs/dbraw/zinc/91/39/35/1059913935.db2.gz FGCNITGJPMRQPF-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](CC)CC2CCCC2)CCO1 ZINC001502079118 1059915069 /nfs/dbraw/zinc/91/50/69/1059915069.db2.gz KPDWQPFFGJDOSN-ROUUACIJSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](C)CCC(C)(C)C)CCO1 ZINC001502088142 1059919566 /nfs/dbraw/zinc/91/95/66/1059919566.db2.gz WYBVFDPGLSWHQB-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cn(C)nc2C)CC1 ZINC001502132476 1059979259 /nfs/dbraw/zinc/97/92/59/1059979259.db2.gz UBHVPNHJKZBFNU-INIZCTEOSA-N 0 3 318.465 2.411 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC001470350022 1060086970 /nfs/dbraw/zinc/08/69/70/1060086970.db2.gz AHTDFCUFNQHGSG-AWEZNQCLSA-N 0 3 307.463 2.276 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001502394341 1060102836 /nfs/dbraw/zinc/10/28/36/1060102836.db2.gz QOAVUYZTEADZHG-IBGZPJMESA-N 0 3 314.429 2.106 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001502393988 1060104972 /nfs/dbraw/zinc/10/49/72/1060104972.db2.gz KSCJHDZNHSFOBS-HNNXBMFYSA-N 0 3 320.408 2.144 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCc1nc2ccccc2o1 ZINC001502397060 1060108487 /nfs/dbraw/zinc/10/84/87/1060108487.db2.gz OYZRPTVUCMLZDB-UHFFFAOYSA-N 0 3 313.401 2.174 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2coc(C)n2)C(C)(C)C1 ZINC001502823931 1060328800 /nfs/dbraw/zinc/32/88/00/1060328800.db2.gz QQCFZCPWVVVMTN-OAHLLOKOSA-N 0 3 321.421 2.016 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001502890928 1060369415 /nfs/dbraw/zinc/36/94/15/1060369415.db2.gz IGTXXJCENSCLBS-TZMCWYRMSA-N 0 3 316.873 2.364 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CO[C@@H](C)CC)CC2)C1 ZINC001503723494 1060463737 /nfs/dbraw/zinc/46/37/37/1060463737.db2.gz KWMLQUZBVONSOL-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001505522059 1060676040 /nfs/dbraw/zinc/67/60/40/1060676040.db2.gz 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1061307512 /nfs/dbraw/zinc/30/75/12/1061307512.db2.gz CPHSQWWUEKDDHL-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1C[C@@H](NCc2cncs2)C1 ZINC001479290203 1061367298 /nfs/dbraw/zinc/36/72/98/1061367298.db2.gz DCKZKIDKWGTUIC-OKILXGFUSA-N 0 3 305.447 2.321 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CCCOC2)C1 ZINC001479343568 1061401696 /nfs/dbraw/zinc/40/16/96/1061401696.db2.gz BTNRPOCIHYRZHZ-MCIONIFRSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001479394016 1061436607 /nfs/dbraw/zinc/43/66/07/1061436607.db2.gz SNWPLPQPCWYKCR-MPGHIAIKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ncc[nH]1 ZINC001479523664 1061492774 /nfs/dbraw/zinc/49/27/74/1061492774.db2.gz AWCLQBIOVCUDGC-GXTWGEPZSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1OCC ZINC001479533222 1061497566 /nfs/dbraw/zinc/49/75/66/1061497566.db2.gz UANDSNFKYRLUPE-HYEHTMCKSA-N 0 3 300.830 2.158 20 30 DEEDHN 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CC#CCN1CCC(C2(NC(=O)CO[C@H](C)CC)CC2)CC1 ZINC001508166120 1063589375 /nfs/dbraw/zinc/58/93/75/1063589375.db2.gz WWQSJNZXUMWLOI-OAHLLOKOSA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)s2)cn1 ZINC001493477644 1063819360 /nfs/dbraw/zinc/81/93/60/1063819360.db2.gz SYLMMYSLEUTSLM-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CCc1cccnc1 ZINC001493617849 1063887638 /nfs/dbraw/zinc/88/76/38/1063887638.db2.gz DTOWLJWSJCLNTL-UHFFFAOYSA-N 0 3 322.412 2.134 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccc(N(CC)CC)cc1 ZINC001493772469 1063958162 /nfs/dbraw/zinc/95/81/62/1063958162.db2.gz YSALTCPPFAOZAE-UHFFFAOYSA-N 0 3 301.434 2.218 20 30 DEEDHN CC#CCNCCN(C)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001493802476 1063967962 /nfs/dbraw/zinc/96/79/62/1063967962.db2.gz VBYOESAXELTHAN-HNNXBMFYSA-N 0 3 302.418 2.260 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1cnns1)c1ccccc1 ZINC001493883153 1064010393 /nfs/dbraw/zinc/01/03/93/1064010393.db2.gz HTEAREQYMRSVPO-ZDUSSCGKSA-N 0 3 302.403 2.175 20 30 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CC#CCNCCN(CC)C(=O)c1conc1C1CCCC1 ZINC001497404186 1066074727 /nfs/dbraw/zinc/07/47/27/1066074727.db2.gz JZUIVHARHWMHMH-UHFFFAOYSA-N 0 3 303.406 2.407 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001570526562 1066106093 /nfs/dbraw/zinc/10/60/93/1066106093.db2.gz VUUWMBIRWIYXKK-VOGRQWBCSA-N 0 3 306.450 2.468 20 30 DEEDHN CC[C@@H](SC)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001497565712 1066142036 /nfs/dbraw/zinc/14/20/36/1066142036.db2.gz TVZSVZISJGTBKS-DWTRPJMMSA-N 0 3 317.458 2.462 20 30 DEEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H](N)CCCCC#N ZINC001575290965 1066253457 /nfs/dbraw/zinc/25/34/57/1066253457.db2.gz LAAMVYWWQQLQRA-CYBMUJFWSA-N 0 3 301.394 2.465 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1c[nH]nc1-c1ccsc1 ZINC001497711226 1066256311 /nfs/dbraw/zinc/25/63/11/1066256311.db2.gz SFYAMDSLNWPNHA-PLNGDYQASA-N 0 3 314.414 2.037 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001497768086 1066298114 /nfs/dbraw/zinc/29/81/14/1066298114.db2.gz WXCXFUCGVAPBEP-MWWKQMNYSA-N 0 3 314.429 2.474 20 30 DEEDHN Cc1cnc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c(C)c1 ZINC001497866493 1066374159 /nfs/dbraw/zinc/37/41/59/1066374159.db2.gz AJMXEFSXXBFYIR-QGZVFWFLSA-N 0 3 321.424 2.458 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H](C)CNC[C@@H](F)CC)cc1 ZINC001497932459 1066420116 /nfs/dbraw/zinc/42/01/16/1066420116.db2.gz FVIIRHBBFMNQKK-HIFRSBDPSA-N 0 3 306.381 2.155 20 30 DEEDHN Cc1cnc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)cc1C ZINC001498075250 1066490181 /nfs/dbraw/zinc/49/01/81/1066490181.db2.gz ZXGOAQYUAAFHMC-KRWDZBQOSA-N 0 3 321.424 2.458 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)CC(C1CCC1)C1CCC1 ZINC001498117432 1066513436 /nfs/dbraw/zinc/51/34/36/1066513436.db2.gz BPIZOXBABDVYLC-HNNXBMFYSA-N 0 3 320.477 2.337 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001498266167 1066605130 /nfs/dbraw/zinc/60/51/30/1066605130.db2.gz KHJHIVCDROAXKB-RDTXWAMCSA-N 0 3 322.424 2.132 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c3nc[nH]c3ccc2F)CC1 ZINC001632862973 1078392413 /nfs/dbraw/zinc/39/24/13/1078392413.db2.gz MCLDSWSKQFAHEA-UHFFFAOYSA-N 0 3 316.380 2.472 20 30 DEEDHN C[C@H]1NCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC001576885152 1066711975 /nfs/dbraw/zinc/71/19/75/1066711975.db2.gz BDCXDTBIJSUNMH-VXGBXAGGSA-N 0 3 310.319 2.266 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)Cc1ccoc1 ZINC001498537725 1066768455 /nfs/dbraw/zinc/76/84/55/1066768455.db2.gz WJCRKLMGIMSCNR-UHFFFAOYSA-N 0 3 315.211 2.169 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)CCn1cccc1 ZINC001498632750 1066811600 /nfs/dbraw/zinc/81/16/00/1066811600.db2.gz KLJBRXUHFFQCTJ-UHFFFAOYSA-N 0 3 324.428 2.388 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)CN(C)CCC ZINC001577418536 1066837138 /nfs/dbraw/zinc/83/71/38/1066837138.db2.gz OWJAUYKLEGXDJC-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001577426566 1066840359 /nfs/dbraw/zinc/84/03/59/1066840359.db2.gz RSGYKEMVDHHKFP-DLBZAZTESA-N 0 3 320.481 2.263 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CN[C@H](C)c1n[nH]c(CC)n1)C1CC1 ZINC001498801527 1066897919 /nfs/dbraw/zinc/89/79/19/1066897919.db2.gz HQYFCFNOHXHFES-YPMHNXCESA-N 0 3 319.453 2.125 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001498805358 1066901883 /nfs/dbraw/zinc/90/18/83/1066901883.db2.gz OZPVHFDBESILSP-NZVBXONLSA-N 0 3 303.431 2.260 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001634646904 1078435188 /nfs/dbraw/zinc/43/51/88/1078435188.db2.gz UIQFFTPHWWWHQP-INIZCTEOSA-N 0 3 306.454 2.437 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001498953534 1066978966 /nfs/dbraw/zinc/97/89/66/1066978966.db2.gz ACEKEMBTWFLNNN-OAHLLOKOSA-N 0 3 300.406 2.437 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001499011501 1067021721 /nfs/dbraw/zinc/02/17/21/1067021721.db2.gz AIDJEJWUMKMERG-HNNXBMFYSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc(OC)c(O)c1 ZINC001635757663 1078458007 /nfs/dbraw/zinc/45/80/07/1078458007.db2.gz HFTPRCVJQXLONL-NTMALXAHSA-N 0 3 318.417 2.380 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001499508218 1067240512 /nfs/dbraw/zinc/24/05/12/1067240512.db2.gz QPSCWPWFAJDGEG-VXIBKDFQSA-N 0 3 318.461 2.445 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2sccc2C2CC2)C1 ZINC001267025545 1078511262 /nfs/dbraw/zinc/51/12/62/1078511262.db2.gz DCXFOYMYTCKDPN-AWEZNQCLSA-N 0 3 318.442 2.079 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(F)c(F)c(F)c1F ZINC001483408656 1078515363 /nfs/dbraw/zinc/51/53/63/1078515363.db2.gz KMNSCDQCXOBYJZ-MRVPVSSYSA-N 0 3 304.287 2.479 20 30 DEEDHN Cc1cc([C@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)c(C)o1 ZINC001579567878 1067372022 /nfs/dbraw/zinc/37/20/22/1067372022.db2.gz LEXUOMSGUFADEK-AJQURBJUSA-N 0 3 301.390 2.213 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001267040528 1078522992 /nfs/dbraw/zinc/52/29/92/1078522992.db2.gz FAGCDOJMOWFDBO-CYBMUJFWSA-N 0 3 320.462 2.245 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC001580048139 1067481919 /nfs/dbraw/zinc/48/19/19/1067481919.db2.gz UKJHMTYCQWYBNW-MRXNPFEDSA-N 0 3 312.373 2.225 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC001580049149 1067482058 /nfs/dbraw/zinc/48/20/58/1067482058.db2.gz JDDRTYCZOSHGGL-NSHDSACASA-N 0 3 323.780 2.461 20 30 DEEDHN Cc1cnc(CN[C@@H](C)CCNC(=O)C#CC(C)(C)C)s1 ZINC001267125307 1078601281 /nfs/dbraw/zinc/60/12/81/1078601281.db2.gz GKNFYUZRGOIHRG-LBPRGKRZSA-N 0 3 307.463 2.485 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001267121161 1078598142 /nfs/dbraw/zinc/59/81/42/1078598142.db2.gz FRABQASJQWLBGG-UHFFFAOYSA-N 0 3 314.385 2.053 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C#CC(C)(C)C ZINC001267127999 1078602200 /nfs/dbraw/zinc/60/22/00/1078602200.db2.gz ZLPWLVRISYZRRW-LBPRGKRZSA-N 0 3 315.255 2.429 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)C1CC1 ZINC001483568641 1078602793 /nfs/dbraw/zinc/60/27/93/1078602793.db2.gz KDLQMFQICOMUCN-CQSZACIVSA-N 0 3 324.856 2.164 20 30 DEEDHN C#CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CC ZINC001483612164 1078626416 /nfs/dbraw/zinc/62/64/16/1078626416.db2.gz FTTFHANQBLEZIQ-HOCLYGCPSA-N 0 3 300.402 2.246 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)CCOC1CCC1 ZINC001570530218 1067987370 /nfs/dbraw/zinc/98/73/70/1067987370.db2.gz GVAGICUUIWZLFN-MRXNPFEDSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnc(C2CC2)nc1 ZINC001570541418 1067995877 /nfs/dbraw/zinc/99/58/77/1067995877.db2.gz FJBURVPKYRUITO-OAHLLOKOSA-N 0 3 300.406 2.076 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1conc1C(F)(F)F ZINC001640019439 1078637380 /nfs/dbraw/zinc/63/73/80/1078637380.db2.gz BOSHALLTLAKHEE-UHFFFAOYSA-N 0 3 305.300 2.273 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H](C)C1CN(CCc2ccnn2C)C1 ZINC001570852302 1068140235 /nfs/dbraw/zinc/14/02/35/1068140235.db2.gz SIEWAEXUKACMQM-HUUCEWRRSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001510746314 1068189625 /nfs/dbraw/zinc/18/96/25/1068189625.db2.gz MSUNNYDYHBTRCB-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](CNCC(=C)Cl)C1 ZINC001571186416 1068190705 /nfs/dbraw/zinc/19/07/05/1068190705.db2.gz CRVBLIYQRLUYRF-CZIWCDLHSA-N 0 3 316.832 2.447 20 30 DEEDHN CCCOCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001571378651 1068260905 /nfs/dbraw/zinc/26/09/05/1068260905.db2.gz IKPRQSHKQYWAEU-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(OCC)cc2)C1 ZINC001571492125 1068346411 /nfs/dbraw/zinc/34/64/11/1068346411.db2.gz ZYCUCJVQAFCHLT-ZBFHGGJFSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC001571516664 1068377934 /nfs/dbraw/zinc/37/79/34/1068377934.db2.gz HQSZDRVQUFKZOY-GXTWGEPZSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H](C)c1ccccc1F ZINC001571607948 1068436823 /nfs/dbraw/zinc/43/68/23/1068436823.db2.gz VLQYGLYVKUNFHF-CABCVRRESA-N 0 3 322.424 2.256 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2coc(C)c2)CC1 ZINC001571685766 1068480100 /nfs/dbraw/zinc/48/01/00/1068480100.db2.gz ABPXNYRBFIQMHZ-UHFFFAOYSA-N 0 3 304.390 2.153 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001571861846 1068556496 /nfs/dbraw/zinc/55/64/96/1068556496.db2.gz FZJJVPFNKLIYKE-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(CC)C(=O)[C@H]1CCCN1C ZINC001512480401 1068565161 /nfs/dbraw/zinc/56/51/61/1068565161.db2.gz FEYLHQUNWQQEKU-IIDMSEBBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CCNC(=O)Cc1cc(C)c(Cl)cn1)C1CC1 ZINC001267327321 1078768464 /nfs/dbraw/zinc/76/84/64/1078768464.db2.gz JKIYSKVCDFGORG-UHFFFAOYSA-N 0 3 307.825 2.353 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001514311516 1068700752 /nfs/dbraw/zinc/70/07/52/1068700752.db2.gz RJVRDGCGCAHEDB-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(C(C)C)[nH]c1=O)C1CC1 ZINC001267334130 1078773359 /nfs/dbraw/zinc/77/33/59/1078773359.db2.gz ZIWZYSFXDSLWRF-UHFFFAOYSA-N 0 3 303.406 2.291 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ncccc1Br ZINC001515654588 1068890733 /nfs/dbraw/zinc/89/07/33/1068890733.db2.gz IHRDOLPZEUAIFR-NSHDSACASA-N 0 3 312.211 2.144 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001483700640 1078820374 /nfs/dbraw/zinc/82/03/74/1078820374.db2.gz IMLSVKNUINAIHO-HUUCEWRRSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)CCc1c(C)noc1C ZINC001483700952 1078821305 /nfs/dbraw/zinc/82/13/05/1078821305.db2.gz KDRXWNXKWHCHGF-HNNXBMFYSA-N 0 3 305.422 2.381 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)OC)OCC ZINC001267409318 1078838375 /nfs/dbraw/zinc/83/83/75/1078838375.db2.gz DOTTZCLKMYWDJO-MWDXBVQZSA-N 0 3 324.465 2.068 20 30 DEEDHN C#CCN(C(=O)NCCCc1ccsc1)C1CCN(C)CC1 ZINC001519902340 1069082194 /nfs/dbraw/zinc/08/21/94/1069082194.db2.gz LSRLYJPMVIUFSO-UHFFFAOYSA-N 0 3 319.474 2.420 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CC12CC2 ZINC001267433723 1078848818 /nfs/dbraw/zinc/84/88/18/1078848818.db2.gz YIZLDWFGIBLSGC-AWEZNQCLSA-N 0 3 301.365 2.045 20 30 DEEDHN CC(C)c1cccc(CN[C@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001369241729 1148879531 /nfs/dbraw/zinc/87/95/31/1148879531.db2.gz VBSPLJWREIOZRM-ZIAGYGMSSA-N 0 3 302.422 2.301 20 30 DEEDHN C#C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccc(Br)cc1 ZINC001574504857 1069231975 /nfs/dbraw/zinc/23/19/75/1069231975.db2.gz MSISQGGRVJJMOW-KGLIPLIRSA-N 0 3 321.218 2.367 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC001521446751 1069242796 /nfs/dbraw/zinc/24/27/96/1069242796.db2.gz SEQLOQJNERDAQF-HOCLYGCPSA-N 0 3 301.434 2.237 20 30 DEEDHN C=C(C)[C@H](CC(=O)Nc1ccc2c(c1)OCCNC2)OCC ZINC001574832145 1069273395 /nfs/dbraw/zinc/27/33/95/1069273395.db2.gz YVUFIDVJAVFSJD-HNNXBMFYSA-N 0 3 304.390 2.478 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN[C@@H](c2ccc(CC)cc2)C1 ZINC001574902744 1069290838 /nfs/dbraw/zinc/29/08/38/1069290838.db2.gz FGFJRPUPHRKNNH-ZWKOTPCHSA-N 0 3 315.461 2.406 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC001574901193 1069291367 /nfs/dbraw/zinc/29/13/67/1069291367.db2.gz BOXYOULZLFVYKW-CVEARBPZSA-N 0 3 306.406 2.471 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001574901971 1069291596 /nfs/dbraw/zinc/29/15/96/1069291596.db2.gz YCHPTAMVHZKNGR-WUCCLRPBSA-N 0 3 308.422 2.003 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC1CCCCC1)C(=O)OC ZINC001574903680 1069292561 /nfs/dbraw/zinc/29/25/61/1069292561.db2.gz USEFQDPRSMULQO-HUUCEWRRSA-N 0 3 310.438 2.298 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001574962108 1069306659 /nfs/dbraw/zinc/30/66/59/1069306659.db2.gz FRTTVRQWMSAEHI-ROUUACIJSA-N 0 3 313.445 2.163 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1sc(Cl)nc1Cl ZINC001267469766 1078889198 /nfs/dbraw/zinc/88/91/98/1078889198.db2.gz UJHWUGHVOYBPPX-UHFFFAOYSA-N 0 3 306.218 2.135 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(CO)cc2)CC1 ZINC001483737737 1078949814 /nfs/dbraw/zinc/94/98/14/1078949814.db2.gz MPWDAUQGDUPHIL-UHFFFAOYSA-N 0 3 302.418 2.274 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001267529115 1078961291 /nfs/dbraw/zinc/96/12/91/1078961291.db2.gz HKHGDEUCNSKELN-OIISRZBQSA-N 0 3 306.450 2.345 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc([C@H]3CCOC3)c2)CC1 ZINC001483747163 1078984475 /nfs/dbraw/zinc/98/44/75/1078984475.db2.gz RLBDBNZOCWPKNN-KRWDZBQOSA-N 0 3 312.413 2.066 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3[nH]cnc3C)CC2)C1=O ZINC001272662095 1079071230 /nfs/dbraw/zinc/07/12/30/1079071230.db2.gz VSCGQVVAXRLXSG-KRWDZBQOSA-N 0 3 302.422 2.109 20 30 DEEDHN CCN1CCCN(c2nc(SC)nc(Cl)c2C#N)CC1 ZINC001163771286 1087746293 /nfs/dbraw/zinc/74/62/93/1087746293.db2.gz LIEKJQNYFIVERZ-UHFFFAOYSA-N 0 3 311.842 2.256 20 30 DEEDHN COC1(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 ZINC001646114703 1079108462 /nfs/dbraw/zinc/10/84/62/1079108462.db2.gz QIPDZJZBDXGLEW-INIZCTEOSA-N 0 3 313.401 2.212 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1CCn1cccn1 ZINC001481042946 1079118746 /nfs/dbraw/zinc/11/87/46/1079118746.db2.gz XNUSQXGUFBSWNU-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2cccnc2OC)C1 ZINC001649442879 1079121481 /nfs/dbraw/zinc/12/14/81/1079121481.db2.gz NTDYKMCJGMVVFP-AWEZNQCLSA-N 0 3 317.433 2.431 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001481103182 1079186337 /nfs/dbraw/zinc/18/63/37/1079186337.db2.gz FDSMWVUEOWRQRG-OTWHNJEPSA-N 0 3 310.441 2.327 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001481112161 1079196245 /nfs/dbraw/zinc/19/62/45/1079196245.db2.gz HKNUOMQIPQCLIX-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001483977603 1079222854 /nfs/dbraw/zinc/22/28/54/1079222854.db2.gz YHQAIRVVELQYAF-WLMCBFPDSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C[C@](C)(O)CNC(=N)c1ccc(Br)cc1F ZINC001252579050 1093589381 /nfs/dbraw/zinc/58/93/81/1093589381.db2.gz SUMIWICYPBNRBQ-LBPRGKRZSA-N 0 3 301.159 2.440 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1cncn1C)C1CCCC1 ZINC001484005895 1079236072 /nfs/dbraw/zinc/23/60/72/1079236072.db2.gz UKOVSXAASPJMRW-MRXNPFEDSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001484040646 1079266201 /nfs/dbraw/zinc/26/62/01/1079266201.db2.gz ADSYNJCLXFKLPU-IAGOWNOFSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001267617908 1079268355 /nfs/dbraw/zinc/26/83/55/1079268355.db2.gz HVYDYHVQXSNUIL-IRXDYDNUSA-N 0 3 309.498 2.321 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@]2(C)CCN(CCC#C)C2)cc1 ZINC001484043309 1079268710 /nfs/dbraw/zinc/26/87/10/1079268710.db2.gz JUUOEMDXQVSLNQ-FQEVSTJZSA-N 0 3 324.424 2.306 20 30 DEEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001267618760 1079279560 /nfs/dbraw/zinc/27/95/60/1079279560.db2.gz SEQKTEZHWUGWLG-AWEZNQCLSA-N 0 3 324.346 2.223 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001484073028 1079286987 /nfs/dbraw/zinc/28/69/87/1079286987.db2.gz GXUZWDBWUNQUKY-WMZOPIPTSA-N 0 3 318.392 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001267622382 1079291033 /nfs/dbraw/zinc/29/10/33/1079291033.db2.gz 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1075013212 /nfs/dbraw/zinc/01/32/12/1075013212.db2.gz MUPUKLOHMDWXLB-GFCCVEGCSA-N 0 3 304.300 2.211 20 30 DEEDHN CC(C)C#CC(=O)NCCN(C)CCOC1CCCCCC1 ZINC001567280140 1075014505 /nfs/dbraw/zinc/01/45/05/1075014505.db2.gz UZJGDMKLUUQYSV-UHFFFAOYSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN(CCOc1cccc(C(=O)OC)c1)[C@H](C)COC ZINC001559993284 1075131028 /nfs/dbraw/zinc/13/10/28/1075131028.db2.gz UJKWMJOHHZJMBH-CQSZACIVSA-N 0 3 307.390 2.375 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001565826212 1075190218 /nfs/dbraw/zinc/19/02/18/1075190218.db2.gz HLMVXDZBIRGFSQ-DWAPUWECSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cc(Cl)ccc1C ZINC001566062409 1075222831 /nfs/dbraw/zinc/22/28/31/1075222831.db2.gz BWMIMAYHSPXTLF-UHFFFAOYSA-N 0 3 322.836 2.302 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001566461188 1075250228 /nfs/dbraw/zinc/25/02/28/1075250228.db2.gz RFJLHDJOYDZKTN-UHFFFAOYSA-N 0 3 311.385 2.015 20 30 DEEDHN CC[C@H](F)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001566481772 1075256549 /nfs/dbraw/zinc/25/65/49/1075256549.db2.gz PFRQHDQSJZQGHN-AWEZNQCLSA-N 0 3 309.360 2.384 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(F)c(F)c(F)c1F ZINC001566510407 1075265326 /nfs/dbraw/zinc/26/53/26/1075265326.db2.gz BIUPSIQDYLGTEJ-UHFFFAOYSA-N 0 3 316.298 2.318 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001566662536 1075307927 /nfs/dbraw/zinc/30/79/27/1075307927.db2.gz GQYLWQKJBJQNRY-MJGOQNOKSA-N 0 3 316.445 2.267 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CCCOC(C)C)C2)cc1 ZINC001566671422 1075312417 /nfs/dbraw/zinc/31/24/17/1075312417.db2.gz WBGTVQBJBIEYMQ-SFHVURJKSA-N 0 3 314.429 2.287 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](CC(C)C)OC)CC1 ZINC001566692652 1075318568 /nfs/dbraw/zinc/31/85/68/1075318568.db2.gz JRPRTRKTDQCWHR-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(CCOC)CCC2)CC1 ZINC001566694335 1075319516 /nfs/dbraw/zinc/31/95/16/1075319516.db2.gz FFEXGYACJOMSHU-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001566735219 1075329893 /nfs/dbraw/zinc/32/98/93/1075329893.db2.gz FVFQRSNFDGNAHR-OAHLLOKOSA-N 0 3 300.402 2.200 20 30 DEEDHN CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001566735219 1075329898 /nfs/dbraw/zinc/32/98/98/1075329898.db2.gz FVFQRSNFDGNAHR-OAHLLOKOSA-N 0 3 300.402 2.200 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](NCc3cncn3C)C2)CCCC1 ZINC001566779953 1075343085 /nfs/dbraw/zinc/34/30/85/1075343085.db2.gz USEZSAGXXFDXJP-HNNXBMFYSA-N 0 3 316.449 2.247 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)COC)C1 ZINC001566827911 1075354978 /nfs/dbraw/zinc/35/49/78/1075354978.db2.gz VQLYRHGMMSBRPO-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN CC(C)SCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001566832754 1075356478 /nfs/dbraw/zinc/35/64/78/1075356478.db2.gz VLKKYNVAROUYMX-CALCHBBNSA-N 0 3 316.470 2.417 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COCCc2ccccc2)C1 ZINC001566863782 1075365247 /nfs/dbraw/zinc/36/52/47/1075365247.db2.gz OLHSGVPLFICYTB-IYBDPMFKSA-N 0 3 322.836 2.235 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)CC(F)(F)F ZINC001566916022 1075384310 /nfs/dbraw/zinc/38/43/10/1075384310.db2.gz XOQHAILGDBUMPV-LBPRGKRZSA-N 0 3 308.344 2.112 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCCC[C@H]2CNC[C@H](F)CC)c1 ZINC001566946700 1075396035 /nfs/dbraw/zinc/39/60/35/1075396035.db2.gz VBXUMGATWVNOCS-SJORKVTESA-N 0 3 317.408 2.395 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001567031864 1075419995 /nfs/dbraw/zinc/41/99/95/1075419995.db2.gz DZKKBEVLCILBCC-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NCC(=O)NC(C)(C)C)CCCC1 ZINC001567085067 1075429568 /nfs/dbraw/zinc/42/95/68/1075429568.db2.gz FQYOUCNDNZTRED-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCc2cncs2)C1 ZINC001567198573 1075462281 /nfs/dbraw/zinc/46/22/81/1075462281.db2.gz KMYKITUCKYSLLM-AWEZNQCLSA-N 0 3 305.447 2.022 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001267721509 1079410192 /nfs/dbraw/zinc/41/01/92/1079410192.db2.gz CKVGYRINDSLHKB-PKOBYXMFSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001267723686 1079411207 /nfs/dbraw/zinc/41/12/07/1079411207.db2.gz GTOXPJHUGGUNTL-AEFFLSMTSA-N 0 3 314.429 2.032 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2F)C1 ZINC001267762553 1079465816 /nfs/dbraw/zinc/46/58/16/1079465816.db2.gz HOZGXUJDPMOVIC-CQSZACIVSA-N 0 3 324.371 2.452 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001267778441 1079489207 /nfs/dbraw/zinc/48/92/07/1079489207.db2.gz AXHVZGWPMPWSCQ-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2nc(C)sc2C)C1 ZINC001267788153 1079495993 /nfs/dbraw/zinc/49/59/93/1079495993.db2.gz RCMDKTPOWZPRLZ-OAHLLOKOSA-N 0 3 319.474 2.249 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001585858195 1076374963 /nfs/dbraw/zinc/37/49/63/1076374963.db2.gz 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ZINC001267955267 1079635361 /nfs/dbraw/zinc/63/53/61/1079635361.db2.gz PCXNVMNPCHCWMP-OAHLLOKOSA-N 0 3 317.433 2.285 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)Cc1ccc[nH]1 ZINC001484556821 1079658989 /nfs/dbraw/zinc/65/89/89/1079658989.db2.gz JYEXBELKNCSCAG-UHFFFAOYSA-N 0 3 309.413 2.329 20 30 DEEDHN CC(C)OCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C#N ZINC001484555434 1079661302 /nfs/dbraw/zinc/66/13/02/1079661302.db2.gz MANOIGIQYLBXCW-HNNXBMFYSA-N 0 3 317.433 2.319 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@]1(F)CCOC1 ZINC001484556212 1079662374 /nfs/dbraw/zinc/66/23/74/1079662374.db2.gz NJLXKUBMBDBNIE-GOSISDBHSA-N 0 3 320.408 2.439 20 30 DEEDHN C=C(Cl)CN1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001484582632 1079670718 /nfs/dbraw/zinc/67/07/18/1079670718.db2.gz VVABTCMNAGHWTE-UHFFFAOYSA-N 0 3 313.873 2.004 20 30 DEEDHN CC(=O)NC1CCC(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001650520139 1079687872 /nfs/dbraw/zinc/68/78/72/1079687872.db2.gz NNSLOEQGBFHDQS-GDKBPFBDSA-N 0 3 321.327 2.231 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H](CNC/C=C/Cl)C1 ZINC001484689198 1079723863 /nfs/dbraw/zinc/72/38/63/1079723863.db2.gz UPOAWJVAVSKBMJ-HEWZJLJBSA-N 0 3 312.841 2.140 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001481399271 1079783951 /nfs/dbraw/zinc/78/39/51/1079783951.db2.gz ABHBVCMKCRNOBW-BZUAXINKSA-N 0 3 316.449 2.402 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cnn(C)c2CC)cc1 ZINC001272690833 1079824127 /nfs/dbraw/zinc/82/41/27/1079824127.db2.gz FMHDHTJPUFDSKF-CQSZACIVSA-N 0 3 324.428 2.196 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001484946766 1079877853 /nfs/dbraw/zinc/87/78/53/1079877853.db2.gz PPSCTAJKSZYFJQ-INIZCTEOSA-N 0 3 319.493 2.360 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001485008168 1079914872 /nfs/dbraw/zinc/91/48/72/1079914872.db2.gz HMQKIVAXDDIWII-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC001485027786 1079920362 /nfs/dbraw/zinc/92/03/62/1079920362.db2.gz WSZRSFZPOQKYJN-DLBZAZTESA-N 0 3 320.477 2.169 20 30 DEEDHN CC[C@]1(C)CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001653784477 1079939133 /nfs/dbraw/zinc/93/91/33/1079939133.db2.gz CVTWOLQREGHAOV-LJQANCHMSA-N 0 3 310.397 2.408 20 30 DEEDHN CN(Cc1ccc2nonc2c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001654148948 1079955492 /nfs/dbraw/zinc/95/54/92/1079955492.db2.gz QEVARYSPPIOCBY-QGZVFWFLSA-N 0 3 308.341 2.260 20 30 DEEDHN C#CCCN(CCOC)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001654334464 1079962167 /nfs/dbraw/zinc/96/21/67/1079962167.db2.gz BKWCRKGJUXHXIW-OAHLLOKOSA-N 0 3 310.438 2.358 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001485098079 1079972557 /nfs/dbraw/zinc/97/25/57/1079972557.db2.gz GTWJDFYRGQHPHF-UHFFFAOYSA-N 0 3 324.808 2.107 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001268060616 1079997119 /nfs/dbraw/zinc/99/71/19/1079997119.db2.gz WICTYZYGZNOFAY-HNNXBMFYSA-N 0 3 318.465 2.378 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001481534388 1080013006 /nfs/dbraw/zinc/01/30/06/1080013006.db2.gz OTVJDRXJQHWOIO-HNNXBMFYSA-N 0 3 302.443 2.285 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCN(CCc2scnc2C)C1 ZINC001481533944 1080014879 /nfs/dbraw/zinc/01/48/79/1080014879.db2.gz QEVAPRXEJJDIKB-HNNXBMFYSA-N 0 3 319.474 2.378 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC001481535982 1080019878 /nfs/dbraw/zinc/01/98/78/1080019878.db2.gz RFGOXHJEIQMZGH-KRWDZBQOSA-N 0 3 302.393 2.362 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2CC(C(C)(C)C)C2)[C@@H](O)C1 ZINC001655927895 1080026254 /nfs/dbraw/zinc/02/62/54/1080026254.db2.gz MAABGKDXGKSLGD-FJBKBRRZSA-N 0 3 308.466 2.186 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001485141885 1080026223 /nfs/dbraw/zinc/02/62/23/1080026223.db2.gz KHZNTWXWOTWKFX-LSDHHAIUSA-N 0 3 318.465 2.424 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)OCC3CC3)C2)CC1 ZINC001656394722 1080084472 /nfs/dbraw/zinc/08/44/72/1080084472.db2.gz YDRHGXRXCZZKCQ-HZPDHXFCSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cnc(C)nc1 ZINC001656522155 1080098601 /nfs/dbraw/zinc/09/86/01/1080098601.db2.gz LRDVZNVZVFQIBU-PBHICJAKSA-N 0 3 316.449 2.468 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485280063 1080106453 /nfs/dbraw/zinc/10/64/53/1080106453.db2.gz DBAOHPBGHWFANY-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485280061 1080107127 /nfs/dbraw/zinc/10/71/27/1080107127.db2.gz DBAOHPBGHWFANY-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCOc2ccccc2)[C@H]1CC ZINC001656759700 1080121565 /nfs/dbraw/zinc/12/15/65/1080121565.db2.gz OZTRFLDYZXRWND-ZWKOTPCHSA-N 0 3 314.429 2.448 20 30 DEEDHN C#CCC[C@@H](O)CNCc1c(C(C)C)nc2sc(C)nn21 ZINC001656882445 1080133954 /nfs/dbraw/zinc/13/39/54/1080133954.db2.gz WTAILOMSAWYJJD-GFCCVEGCSA-N 0 3 306.435 2.087 20 30 DEEDHN C#CCCCC(=O)N1CCCCC[C@H](NCc2cnn(C)c2)C1 ZINC001656886113 1080133986 /nfs/dbraw/zinc/13/39/86/1080133986.db2.gz PNIOUYKGMLTNBD-KRWDZBQOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001656942455 1080140855 /nfs/dbraw/zinc/14/08/55/1080140855.db2.gz YSGOWFJEQPTZKV-HHXXYDBFSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1 ZINC001657076430 1080152702 /nfs/dbraw/zinc/15/27/02/1080152702.db2.gz XMXFAZKKLDBMQJ-HNNXBMFYSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCCCCCN1CC[C@]2(C1)CN([C@H](C)C(C)=O)C(=O)CO2 ZINC001272699438 1080166506 /nfs/dbraw/zinc/16/65/06/1080166506.db2.gz JJKBUXSZMYPRHN-QAPCUYQASA-N 0 3 322.449 2.014 20 30 DEEDHN Cc1oncc1CNC[C@@H]1[C@H](C)CCCN1C(=O)C#CC(C)C ZINC001268185706 1080173203 /nfs/dbraw/zinc/17/32/03/1080173203.db2.gz NAONDQHBCFLWEA-RHSMWYFYSA-N 0 3 317.433 2.359 20 30 DEEDHN C=C(C)C[NH2+][C@@H](CCN(C)C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001485438668 1080207403 /nfs/dbraw/zinc/20/74/03/1080207403.db2.gz ZPXICFSCWWZQEY-AWEZNQCLSA-N 0 3 320.437 2.143 20 30 DEEDHN C#CCC[C@@H](O)CNCc1c(Cl)cccc1N1CCOCC1 ZINC001658520215 1080210816 /nfs/dbraw/zinc/21/08/16/1080210816.db2.gz KKSIMEZFZJPCDU-CQSZACIVSA-N 0 3 322.836 2.041 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)c1oc(C)cc1C ZINC001485464086 1080221232 /nfs/dbraw/zinc/22/12/32/1080221232.db2.gz QUFMCMVYOBYHTI-MRXNPFEDSA-N 0 3 320.433 2.424 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)C[C@H](O)CC(F)(F)F ZINC001268244744 1080226284 /nfs/dbraw/zinc/22/62/84/1080226284.db2.gz HBGREHOSUFCUSW-GFCCVEGCSA-N 0 3 324.387 2.292 20 30 DEEDHN CCCC[C@@H](CNCc1cnn(C)c1)NC(=O)C#CC(C)(C)C ZINC001485463508 1080231483 /nfs/dbraw/zinc/23/14/83/1080231483.db2.gz NLMWDQHPYDGQAH-INIZCTEOSA-N 0 3 318.465 2.234 20 30 DEEDHN CN(Cc1ccc2oc(=O)oc2c1)C[C@H](O)c1cccc(C#N)c1 ZINC001660209546 1080287935 /nfs/dbraw/zinc/28/79/35/1080287935.db2.gz AUVXLIJNRKBQCA-HNNXBMFYSA-N 0 3 324.336 2.423 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCC(F)(F)F)C(C)(C)C1 ZINC001485565891 1080296613 /nfs/dbraw/zinc/29/66/13/1080296613.db2.gz GWKRGHLIKCXFPB-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C(C)(C)C1 ZINC001485568569 1080301820 /nfs/dbraw/zinc/30/18/20/1080301820.db2.gz CUIHIPOLHQFUQW-CABCVRRESA-N 0 3 318.465 2.409 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(CCC[C@@H]2CCOC2)C1 ZINC001481702497 1080321036 /nfs/dbraw/zinc/32/10/36/1080321036.db2.gz YDTVTDFLZBTVKY-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21 ZINC001485594885 1080322165 /nfs/dbraw/zinc/32/21/65/1080322165.db2.gz RBNPAZYPSHXRQY-MPESAESLSA-N 0 3 317.820 2.294 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)N(C)C ZINC001660440045 1080333191 /nfs/dbraw/zinc/33/31/91/1080333191.db2.gz MRVUDMPMVVYNBO-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3cc(Cl)cs3)[C@@H]2C1 ZINC001485616956 1080335481 /nfs/dbraw/zinc/33/54/81/1080335481.db2.gz XVLCCOXITMVTHC-QKDCVEJESA-N 0 3 322.861 2.261 20 30 DEEDHN CCN(CCCNC(=O)C#CC(C)C)Cc1cnc(C)s1 ZINC001660525445 1080351548 /nfs/dbraw/zinc/35/15/48/1080351548.db2.gz XXPNMVAJRAFPPL-UHFFFAOYSA-N 0 3 307.463 2.439 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCNCc1cc2n(n1)CCCC2 ZINC001268347664 1080353661 /nfs/dbraw/zinc/35/36/61/1080353661.db2.gz CUISPXDMTVGDHX-CQSZACIVSA-N 0 3 304.438 2.170 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H](OC)C(F)(F)F)C2)C1 ZINC001485667068 1080356191 /nfs/dbraw/zinc/35/61/91/1080356191.db2.gz XPJQZSBHRHSJPF-GFCCVEGCSA-N 0 3 320.355 2.064 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001268368693 1080379369 /nfs/dbraw/zinc/37/93/69/1080379369.db2.gz JNBGHOYAFAFCAI-SNVBAGLBSA-N 0 3 321.812 2.117 20 30 DEEDHN COCC#CCN(CCCNC(=O)C[C@@H]1CC[C@H](C)C1)C1CC1 ZINC001660716323 1080385098 /nfs/dbraw/zinc/38/50/98/1080385098.db2.gz SLRDVOWPTGMETI-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001660772266 1080394919 /nfs/dbraw/zinc/39/49/19/1080394919.db2.gz MIHJHNOLKIMNOZ-KBPBESRZSA-N 0 3 316.392 2.013 20 30 DEEDHN CN(CC#Cc1ccccc1)C1CCN(C(=O)c2ccon2)CC1 ZINC001485753612 1080408389 /nfs/dbraw/zinc/40/83/89/1080408389.db2.gz SIYQHQPDGXCYJR-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN Cc1ncoc1CN(C)C1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001485756957 1080409131 /nfs/dbraw/zinc/40/91/31/1080409131.db2.gz NODIWIBFSVEHOD-UHFFFAOYSA-N 0 3 317.433 2.455 20 30 DEEDHN Cc1nc2ccccc2nc1CNCCNc1ncccc1C#N ZINC001660951375 1080418478 /nfs/dbraw/zinc/41/84/78/1080418478.db2.gz GPBAKNPTBGZWQX-UHFFFAOYSA-N 0 3 318.384 2.407 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001481740428 1080418475 /nfs/dbraw/zinc/41/84/75/1080418475.db2.gz CETKNMALEIOEKW-HUUCEWRRSA-N 0 3 306.406 2.118 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001485775236 1080426055 /nfs/dbraw/zinc/42/60/55/1080426055.db2.gz AIBDSXXQYQOKNT-SFHVURJKSA-N 0 3 306.450 2.211 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCc2ccc(F)cc2F)C1 ZINC001481747274 1080431796 /nfs/dbraw/zinc/43/17/96/1080431796.db2.gz JVCOAELEQROBJA-INIZCTEOSA-N 0 3 320.383 2.453 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001661069466 1080437250 /nfs/dbraw/zinc/43/72/50/1080437250.db2.gz WMTQQJYNTWJJLC-HZPDHXFCSA-N 0 3 318.461 2.043 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001661069464 1080437505 /nfs/dbraw/zinc/43/75/05/1080437505.db2.gz WMTQQJYNTWJJLC-CVEARBPZSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1cnc(C)nc1)C1CC1 ZINC001661152279 1080448909 /nfs/dbraw/zinc/44/89/09/1080448909.db2.gz PDJVMPNFUOXNQI-INIZCTEOSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H](NC/C=C\Cl)C1)OCC ZINC001661314554 1080468906 /nfs/dbraw/zinc/46/89/06/1080468906.db2.gz KIZPBNCTTYPPBU-BPIHMUFXSA-N 0 3 300.830 2.301 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001661304336 1080469160 /nfs/dbraw/zinc/46/91/60/1080469160.db2.gz ODCRRPJNQHLQMY-AWEZNQCLSA-N 0 3 306.356 2.459 20 30 DEEDHN C[C@@H](O)CCCN1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001661866541 1080536569 /nfs/dbraw/zinc/53/65/69/1080536569.db2.gz PSDDUBQDKNGLAP-HZPDHXFCSA-N 0 3 308.466 2.168 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001661866910 1080538580 /nfs/dbraw/zinc/53/85/80/1080538580.db2.gz XHTBFXLMVVPQIS-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001661871105 1080538703 /nfs/dbraw/zinc/53/87/03/1080538703.db2.gz KUKFOIHXVPDODX-MRXNPFEDSA-N 0 3 318.465 2.473 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(COCC)CC1 ZINC001661976740 1080552127 /nfs/dbraw/zinc/55/21/27/1080552127.db2.gz GGUXHUWYTLJUAG-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1c(Cl)cncc1Cl ZINC001268477099 1080581085 /nfs/dbraw/zinc/58/10/85/1080581085.db2.gz YOLJMBHCFQHWOX-UHFFFAOYSA-N 0 3 314.216 2.463 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@H](C)CNC(=O)C#CC(C)C ZINC001662213328 1080583615 /nfs/dbraw/zinc/58/36/15/1080583615.db2.gz KLXIYXIGZSFDLU-CQSZACIVSA-N 0 3 304.438 2.026 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCC(=O)NC1CCCCC1 ZINC001662302789 1080593296 /nfs/dbraw/zinc/59/32/96/1080593296.db2.gz FGZALAOBUUPLCG-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC001481969089 1080657419 /nfs/dbraw/zinc/65/74/19/1080657419.db2.gz XQZDUIYAIGSQQH-OAHLLOKOSA-N 0 3 324.856 2.244 20 30 DEEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@H](O)C(C)C)cc1 ZINC001662805155 1080659285 /nfs/dbraw/zinc/65/92/85/1080659285.db2.gz GGAXNGLZDHWGCG-MRXNPFEDSA-N 0 3 324.852 2.204 20 30 DEEDHN CC[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107286668 1080707142 /nfs/dbraw/zinc/70/71/42/1080707142.db2.gz QPFVLBRPCGRUGS-JFIYKMOQSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)C(C)(C)C1CCCC1 ZINC001268549436 1080744768 /nfs/dbraw/zinc/74/47/68/1080744768.db2.gz GGHHZRMXKQIYAY-SREVYHEPSA-N 0 3 306.450 2.115 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccc(CO)cc1 ZINC001663475921 1080752050 /nfs/dbraw/zinc/75/20/50/1080752050.db2.gz LTFCNSSOHDSVDF-QGZVFWFLSA-N 0 3 302.418 2.226 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)C(C)(F)F ZINC001482073303 1080778768 /nfs/dbraw/zinc/77/87/68/1080778768.db2.gz NRHGPJOHDNGZSN-SNVBAGLBSA-N 0 3 313.323 2.194 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663587381 1080782901 /nfs/dbraw/zinc/78/29/01/1080782901.db2.gz JXBAQSCSNGOBJK-INIZCTEOSA-N 0 3 300.377 2.177 20 30 DEEDHN COc1cccc(CN2CC[C@H](CNC(=O)C#CC3CC3)C2)c1 ZINC001663587654 1080783010 /nfs/dbraw/zinc/78/30/10/1080783010.db2.gz OZHOVZXNXQSLTI-QGZVFWFLSA-N 0 3 312.413 2.047 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCc2ccc(Cl)s2)C1 ZINC001663639198 1080795614 /nfs/dbraw/zinc/79/56/14/1080795614.db2.gz PITQUFSFPCOMPX-GFCCVEGCSA-N 0 3 310.850 2.405 20 30 DEEDHN C[C@H](CNCc1cc(C2CC2)no1)CNC(=O)C#CC(C)(C)C ZINC001482100408 1080802083 /nfs/dbraw/zinc/80/20/83/1080802083.db2.gz FGSRUXCITXPBID-CYBMUJFWSA-N 0 3 317.433 2.443 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c[nH]nc1[C@@H]1CCCO1)C1CC1 ZINC001663749600 1080811182 /nfs/dbraw/zinc/81/11/82/1080811182.db2.gz PMFNUDSPGIJQAP-HNNXBMFYSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)CN[C@H](C)c1cnc(C)cn1 ZINC001482130624 1080829464 /nfs/dbraw/zinc/82/94/64/1080829464.db2.gz FFBMUAJFZLAJQJ-TZMCWYRMSA-N 0 3 304.438 2.400 20 30 DEEDHN CC[C@@H]1CC[C@@H](C(=O)N(C)CCNCc2cccc(C#N)c2)O1 ZINC001663964739 1080842708 /nfs/dbraw/zinc/84/27/08/1080842708.db2.gz LGDQEMQEJJUDGJ-SJORKVTESA-N 0 3 315.417 2.064 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)C1(C2CCCCC2)CC1 ZINC001268616514 1080892112 /nfs/dbraw/zinc/89/21/12/1080892112.db2.gz ATISIPJXOSVOMH-AATRIKPKSA-N 0 3 318.461 2.259 20 30 DEEDHN COc1ccc(CNC/C=C\CNC(=O)C(C)(C)C)cc1C#N ZINC001268615875 1080894579 /nfs/dbraw/zinc/89/45/79/1080894579.db2.gz HRPFCVMVXOXMQK-WAYWQWQTSA-N 0 3 315.417 2.375 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C1(C)CCOCC1)c1ccccc1 ZINC001664592187 1080930223 /nfs/dbraw/zinc/93/02/23/1080930223.db2.gz DUNRPJHHJSQDII-QGZVFWFLSA-N 0 3 314.429 2.274 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)C1(C)CCOCC1)c1ccccc1 ZINC001664592186 1080931055 /nfs/dbraw/zinc/93/10/55/1080931055.db2.gz DUNRPJHHJSQDII-KRWDZBQOSA-N 0 3 314.429 2.274 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)Cc2cccnc2C)C1 ZINC001664678208 1080941213 /nfs/dbraw/zinc/94/12/13/1080941213.db2.gz LUJZJHUKDHMTTP-SFHVURJKSA-N 0 3 313.445 2.269 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)C[C@H]2C=CCCC2)C1 ZINC001664722053 1080950061 /nfs/dbraw/zinc/95/00/61/1080950061.db2.gz PXEKPJQHQQOTBF-ROUUACIJSA-N 0 3 318.461 2.211 20 30 DEEDHN C=CCCCC(=O)NCC[C@H]1CCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001664734065 1080950821 /nfs/dbraw/zinc/95/08/21/1080950821.db2.gz AEHOUSDTAULVJU-HIFRSBDPSA-N 0 3 319.453 2.359 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H](C)CN(C)CC=C)cc1 ZINC001268729357 1080953779 /nfs/dbraw/zinc/95/37/79/1080953779.db2.gz FVQGGTAYVCNCRZ-OAHLLOKOSA-N 0 3 300.402 2.325 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cnns1 ZINC001268767535 1080976934 /nfs/dbraw/zinc/97/69/34/1080976934.db2.gz PXHYXOACDSMBPM-TZMCWYRMSA-N 0 3 308.451 2.269 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C2CC2)nn1C ZINC001268796218 1080995409 /nfs/dbraw/zinc/99/54/09/1080995409.db2.gz RYVWPIZROGPJHL-UHFFFAOYSA-N 0 3 310.829 2.102 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cn(C)nc1C1CCC1 ZINC001268803418 1080999530 /nfs/dbraw/zinc/99/95/30/1080999530.db2.gz IDPMMPFLENDRGF-UHFFFAOYSA-N 0 3 324.856 2.492 20 30 DEEDHN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001665200010 1080999771 /nfs/dbraw/zinc/99/97/71/1080999771.db2.gz HUPWDPIBPKHKJU-WBVHZDCISA-N 0 3 307.482 2.404 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001665274666 1081008484 /nfs/dbraw/zinc/00/84/84/1081008484.db2.gz FYDJRIMHBNZBKT-BEFAXECRSA-N 0 3 316.445 2.431 20 30 DEEDHN C=C(C)CN1CC(CNC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001665283901 1081009247 /nfs/dbraw/zinc/00/92/47/1081009247.db2.gz LTQPUVKAZZOQJC-AWEZNQCLSA-N 0 3 304.438 2.021 20 30 DEEDHN C#CCOCCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001268829015 1081010745 /nfs/dbraw/zinc/01/07/45/1081010745.db2.gz SYDXBYPRIIAKTP-INIZCTEOSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCCN1CC(CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001665313337 1081011166 /nfs/dbraw/zinc/01/11/66/1081011166.db2.gz HZFBMXHENWWXKU-MOPGFXCFSA-N 0 3 310.441 2.327 20 30 DEEDHN Cc1nocc1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001268831541 1081012284 /nfs/dbraw/zinc/01/22/84/1081012284.db2.gz QISOBRNJUKVDLV-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001665617231 1081047586 /nfs/dbraw/zinc/04/75/86/1081047586.db2.gz MWZPEAAASCPYEZ-GOSISDBHSA-N 0 3 316.445 2.484 20 30 DEEDHN C#CC(=O)N1CCC[C@@]2(CCCN(Cc3scnc3C)C2)C1 ZINC001268942344 1081052676 /nfs/dbraw/zinc/05/26/76/1081052676.db2.gz PVXHYXFZTGHQNR-QGZVFWFLSA-N 0 3 317.458 2.289 20 30 DEEDHN O=C(CCS)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001268959792 1081062501 /nfs/dbraw/zinc/06/25/01/1081062501.db2.gz KZXNOOMQKZUPIR-QWRGUYRKSA-N 0 3 310.385 2.324 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)COc2ccc(F)c(F)c2)C1 ZINC001665691062 1081065072 /nfs/dbraw/zinc/06/50/72/1081065072.db2.gz CBTGANAVZZFLIE-ZDUSSCGKSA-N 0 3 324.371 2.452 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@@H]1CCN(CCn2cccn2)C1 ZINC001665720624 1081071815 /nfs/dbraw/zinc/07/18/15/1081071815.db2.gz KZYFAIVLVMHVNL-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCCOC)C1 ZINC001666083161 1081121557 /nfs/dbraw/zinc/12/15/57/1081121557.db2.gz LDWSDOZRVKNUQM-CQSZACIVSA-N 0 3 302.846 2.384 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](CC)Oc2ccccc2C)C1 ZINC001269069646 1081105106 /nfs/dbraw/zinc/10/51/06/1081105106.db2.gz UJMSHYNNLIVWAI-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)c1ccon1)C1CC1 ZINC001665979597 1081105589 /nfs/dbraw/zinc/10/55/89/1081105589.db2.gz HDNZZRIDYPVFKK-LJQANCHMSA-N 0 3 323.396 2.214 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@@H](CC)C1 ZINC001269169105 1081148964 /nfs/dbraw/zinc/14/89/64/1081148964.db2.gz LQDWGNKKFHQETK-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC1CCCCC1 ZINC001666850448 1081185760 /nfs/dbraw/zinc/18/57/60/1081185760.db2.gz YUMUKFZUPGCMIE-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOCCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC001666899439 1081192079 /nfs/dbraw/zinc/19/20/79/1081192079.db2.gz WWDMXEJTDZAPSK-GJZGRUSLSA-N 0 3 320.408 2.363 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC(C)(C)C ZINC001666914757 1081193907 /nfs/dbraw/zinc/19/39/07/1081193907.db2.gz XNALUIIVCWKTKS-UONOGXRCSA-N 0 3 311.470 2.082 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCC(=O)N(CC)CC)C1 ZINC001269279939 1081196975 /nfs/dbraw/zinc/19/69/75/1081196975.db2.gz FVBIBCUVNYOSTE-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001269292341 1081200873 /nfs/dbraw/zinc/20/08/73/1081200873.db2.gz PQLSNIAOLMFVQZ-HZMVEIRTSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCC[C@H](C(=O)N(C)[C@@H]1CCN(CCO)C1)c1ccccc1 ZINC001269302213 1081204061 /nfs/dbraw/zinc/20/40/61/1081204061.db2.gz RXKFRKISNBBXCH-MSOLQXFVSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCC[C@H](C(=O)N(C)[C@H]1CCN(CCO)C1)c1ccccc1 ZINC001269302217 1081204279 /nfs/dbraw/zinc/20/42/79/1081204279.db2.gz RXKFRKISNBBXCH-ROUUACIJSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)N[C@@H](C)c1n[nH]c(CC)n1 ZINC001269448845 1081250877 /nfs/dbraw/zinc/25/08/77/1081250877.db2.gz PGNFIJKVQBDXDF-NWDGAFQWSA-N 0 3 307.442 2.125 20 30 DEEDHN C=CCCC(=O)NC[C@H](O)CN[C@H](C)c1ccccc1Cl ZINC001667796239 1081290022 /nfs/dbraw/zinc/29/00/22/1081290022.db2.gz RLNYIERCIWHIJP-CHWSQXEVSA-N 0 3 310.825 2.434 20 30 DEEDHN C=CCC[NH2+]C[C@]1(NC(=O)c2cnc[n-]c2=O)CCCC[C@H]1C ZINC001269663267 1081325753 /nfs/dbraw/zinc/32/57/53/1081325753.db2.gz KUIDDHGKPUDSBW-CXAGYDPISA-N 0 3 318.421 2.027 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CCOCC(C)C)C2)CC1 ZINC001269704867 1081340235 /nfs/dbraw/zinc/34/02/35/1081340235.db2.gz ZURATWKECJGUTE-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCCCC(=O)N(CC)CCNCc1ccnc(Cl)c1 ZINC001668415804 1081353378 /nfs/dbraw/zinc/35/33/78/1081353378.db2.gz RBCJTKIWJDOFQA-UHFFFAOYSA-N 0 3 307.825 2.477 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)Cc1ccccc1F ZINC001668554739 1081367095 /nfs/dbraw/zinc/36/70/95/1081367095.db2.gz CFALVLRSCCEVDD-OAHLLOKOSA-N 0 3 304.409 2.466 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001668629263 1081375174 /nfs/dbraw/zinc/37/51/74/1081375174.db2.gz HCKUBVUAFGTXOS-INIZCTEOSA-N 0 3 304.821 2.441 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2cc(OC)no2)CC1 ZINC001269964990 1081411307 /nfs/dbraw/zinc/41/13/07/1081411307.db2.gz FDOCGEABNIZVTP-JOCQHMNTSA-N 0 3 307.394 2.166 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC[C@H](N[C@@H](C)c2cnccn2)CC1 ZINC001269986233 1081417697 /nfs/dbraw/zinc/41/76/97/1081417697.db2.gz WYAGFRCZCOAMAQ-JYJNAYRXSA-N 0 3 314.433 2.214 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CNCc1cncs1 ZINC001270013932 1081427594 /nfs/dbraw/zinc/42/75/94/1081427594.db2.gz DGYRWZGJIGRVLI-KGLIPLIRSA-N 0 3 323.462 2.205 20 30 DEEDHN CCc1cc(C(=O)NC/C=C/CNCc2cccc(C#N)c2)no1 ZINC001669144852 1081431847 /nfs/dbraw/zinc/43/18/47/1081431847.db2.gz IARWLORUYPSLGH-ONEGZZNKSA-N 0 3 324.384 2.184 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCn1ccc2ccccc21 ZINC001669176769 1081435585 /nfs/dbraw/zinc/43/55/85/1081435585.db2.gz HNCXLJDOJUUTBH-VOTSOKGWSA-N 0 3 309.413 2.317 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC001669330638 1081445898 /nfs/dbraw/zinc/44/58/98/1081445898.db2.gz DOKPTKYFDCJWCO-QGZVFWFLSA-N 0 3 306.409 2.375 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCC(=O)N(CC)CC ZINC001270258765 1081488270 /nfs/dbraw/zinc/48/82/70/1081488270.db2.gz DQJMGJKQUAVZRU-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1cc[nH]c1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001482278463 1081497248 /nfs/dbraw/zinc/49/72/48/1081497248.db2.gz VILKBRONMGFORM-MRXNPFEDSA-N 0 3 309.413 2.425 20 30 DEEDHN C#CCN(C(=O)c1ncc(C)cc1C)C1CCN(CC=C)CC1 ZINC001270326089 1081501930 /nfs/dbraw/zinc/50/19/30/1081501930.db2.gz QYYCXLNVNTXDMT-UHFFFAOYSA-N 0 3 311.429 2.424 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1cn(C)nc1C ZINC001482286794 1081519693 /nfs/dbraw/zinc/51/96/93/1081519693.db2.gz JKCAXVAQWBJAKL-ZDUSSCGKSA-N 0 3 306.454 2.267 20 30 DEEDHN C#CCN(C(=O)[C@@H]1COc2ccccc21)C1CCN(CC=C)CC1 ZINC001671508086 1081520200 /nfs/dbraw/zinc/52/02/00/1081520200.db2.gz NQMDSXXBXZPRDY-GOSISDBHSA-N 0 3 324.424 2.275 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)C=C(CC)CC)CC2)C1 ZINC001671602877 1081525580 /nfs/dbraw/zinc/52/55/80/1081525580.db2.gz HYCIECJYDQAQNB-QGZVFWFLSA-N 0 3 305.466 2.137 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)CN[C@H](C)c2cnccn2)cc1 ZINC001270477913 1081534274 /nfs/dbraw/zinc/53/42/74/1081534274.db2.gz IMFHRLJHJIOWOI-HUUCEWRRSA-N 0 3 322.412 2.175 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001671854440 1081543742 /nfs/dbraw/zinc/54/37/42/1081543742.db2.gz SGUBLTRSLZRHOK-IBGZPJMESA-N 0 3 320.477 2.457 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC2CCOCC2)C1 ZINC001671876542 1081544098 /nfs/dbraw/zinc/54/40/98/1081544098.db2.gz AUPYIHWJVDPKQQ-SFHVURJKSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCCC(=O)NC[C@@]1(O)CCN(Cc2csc(C)c2)C1 ZINC001671982547 1081555274 /nfs/dbraw/zinc/55/52/74/1081555274.db2.gz QLSKRHXVJNVNCA-INIZCTEOSA-N 0 3 308.447 2.076 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccc3sccc3c2)C1 ZINC001672035249 1081558448 /nfs/dbraw/zinc/55/84/48/1081558448.db2.gz WVISMNFIMMKHEB-KRWDZBQOSA-N 0 3 316.426 2.254 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ccon1)c1ccccc1CC ZINC001672176978 1081564047 /nfs/dbraw/zinc/56/40/47/1081564047.db2.gz PJBNGBWTAUAPSS-QGZVFWFLSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](CC)O1 ZINC001672388357 1081591460 /nfs/dbraw/zinc/59/14/60/1081591460.db2.gz GHMPHDXWKCAWAZ-ROUUACIJSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC(F)(F)F ZINC001672536436 1081609610 /nfs/dbraw/zinc/60/96/10/1081609610.db2.gz BBPJPMXSZXVPQA-QWHCGFSZSA-N 0 3 302.340 2.418 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC001672783881 1081626240 /nfs/dbraw/zinc/62/62/40/1081626240.db2.gz LROYJZOWQDNMSW-WLYUNCDWSA-N 0 3 314.857 2.118 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC001672783880 1081626585 /nfs/dbraw/zinc/62/65/85/1081626585.db2.gz LROYJZOWQDNMSW-NFOMZHRRSA-N 0 3 314.857 2.118 20 30 DEEDHN CC#CCCCC(=O)NCC1(NCc2cnn(C)c2)CCCC1 ZINC001270777165 1081710343 /nfs/dbraw/zinc/71/03/43/1081710343.db2.gz MFELPGVPBWRHNC-UHFFFAOYSA-N 0 3 316.449 2.132 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cn(C)nc2C)CCC1 ZINC001482326270 1081715141 /nfs/dbraw/zinc/71/51/41/1081715141.db2.gz BEMDMADKELPBJW-AWEZNQCLSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCC(=O)N[C@H](C)CC)CC1 ZINC001482327047 1081718933 /nfs/dbraw/zinc/71/89/33/1081718933.db2.gz HWUZRURMCNQVON-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H](C)CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001482326869 1081719220 /nfs/dbraw/zinc/71/92/20/1081719220.db2.gz OSJRSZNNYDEDAI-CABCVRRESA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2cccnc2)cc1 ZINC001672936905 1081724366 /nfs/dbraw/zinc/72/43/66/1081724366.db2.gz FIEIBUPQWMZFCV-OAHLLOKOSA-N 0 3 307.397 2.224 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)CCCCCC)CCO1 ZINC001673323045 1081755343 /nfs/dbraw/zinc/75/53/43/1081755343.db2.gz SFYADTYCRAFWKA-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN(C[C@H](O)CC(F)(F)F)CC1 ZINC001673362598 1081759296 /nfs/dbraw/zinc/75/92/96/1081759296.db2.gz JIXURBHADYLJSA-QWHCGFSZSA-N 0 3 322.371 2.237 20 30 DEEDHN CCc1sc(C(=O)N(C)[C@H](C)CNCC#CCOC)cc1C ZINC001482361059 1081760221 /nfs/dbraw/zinc/76/02/21/1081760221.db2.gz MTRGHKFRVRBYDP-CQSZACIVSA-N 0 3 322.474 2.319 20 30 DEEDHN COCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001270871330 1081776807 /nfs/dbraw/zinc/77/68/07/1081776807.db2.gz SZLNEKABADSDAR-AWEZNQCLSA-N 0 3 322.836 2.165 20 30 DEEDHN CCOCC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001270877397 1081785059 /nfs/dbraw/zinc/78/50/59/1081785059.db2.gz DRQBCMYSQQVWKM-AWEZNQCLSA-N 0 3 322.836 2.165 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001674319093 1081859141 /nfs/dbraw/zinc/85/91/41/1081859141.db2.gz GHTOMDXTKVDQCC-BJWYYQGGSA-N 0 3 320.477 2.332 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1CNCCF)OCC ZINC001674379447 1081864770 /nfs/dbraw/zinc/86/47/70/1081864770.db2.gz KHXOMQWHKNFSII-LSDHHAIUSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001674392819 1081866099 /nfs/dbraw/zinc/86/60/99/1081866099.db2.gz BAPQDSPNMKZODH-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@]1(C)CCCN(CC#CC)C1 ZINC001271007741 1081873317 /nfs/dbraw/zinc/87/33/17/1081873317.db2.gz QXQZUENQIZWQOF-OAQYLSRUSA-N 0 3 322.452 2.452 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)c1ccccc1 ZINC001674639804 1081898055 /nfs/dbraw/zinc/89/80/55/1081898055.db2.gz JCTYUEYRQYXKIS-LSDHHAIUSA-N 0 3 317.433 2.098 20 30 DEEDHN C[C@@H](CNC(=O)CSCC#N)N(C)Cc1ccc(CF)cc1 ZINC001282356190 1081918873 /nfs/dbraw/zinc/91/88/73/1081918873.db2.gz UBBIRYNJNIRZPI-ZDUSSCGKSA-N 0 3 323.437 2.349 20 30 DEEDHN Cc1cc(C)cc(CN(C)CCNC(=O)CSCC#N)c1 ZINC001266257778 1081922007 /nfs/dbraw/zinc/92/20/07/1081922007.db2.gz AQQFFIKEKLAHRS-UHFFFAOYSA-N 0 3 305.447 2.108 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]([C@H](C)NCc2ccn(C)n2)C1 ZINC001482474002 1081954599 /nfs/dbraw/zinc/95/45/99/1081954599.db2.gz BFVPFCJXHLSFFC-JKSUJKDBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001271200762 1081989141 /nfs/dbraw/zinc/98/91/41/1081989141.db2.gz KLNUEJZHQDIJDK-QFBILLFUSA-N 0 3 316.445 2.228 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)c2ccco2)CC1 ZINC001266379886 1082009272 /nfs/dbraw/zinc/00/92/72/1082009272.db2.gz NZXBDNHAXODJGN-HOCLYGCPSA-N 0 3 300.402 2.377 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)Cn2cc(C)cn2)CC1 ZINC001266384709 1082011922 /nfs/dbraw/zinc/01/19/22/1082011922.db2.gz SJXOMYXVFPJQQQ-UHFFFAOYSA-N 0 3 304.438 2.081 20 30 DEEDHN C=CCC[NH2+]C[C@@H](NC(=O)c1cnc[n-]c1=O)C1CCCCC1 ZINC001271341865 1082015705 /nfs/dbraw/zinc/01/57/05/1082015705.db2.gz SPSOIZCXXFNOFQ-OAHLLOKOSA-N 0 3 318.421 2.027 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCc1cncs1 ZINC001282676064 1082017685 /nfs/dbraw/zinc/01/76/85/1082017685.db2.gz RQMBAPFLPBHRNS-OAHLLOKOSA-N 0 3 319.474 2.460 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)COCCC)C2)CC1 ZINC001271437878 1082042127 /nfs/dbraw/zinc/04/21/27/1082042127.db2.gz KTMPMFFLFIUZBZ-SFHVURJKSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnc(C)[nH]1)c1ccccc1CC ZINC001271446410 1082045656 /nfs/dbraw/zinc/04/56/56/1082045656.db2.gz LUVJXOCXPCHVTI-QGZVFWFLSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001266460978 1082051457 /nfs/dbraw/zinc/05/14/57/1082051457.db2.gz HCYSRZLCNSLUAH-OAHLLOKOSA-N 0 3 306.406 2.293 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001266460977 1082051733 /nfs/dbraw/zinc/05/17/33/1082051733.db2.gz HCYSRZLCNSLUAH-HNNXBMFYSA-N 0 3 306.406 2.293 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001266461670 1082052464 /nfs/dbraw/zinc/05/24/64/1082052464.db2.gz UDBOHPBQQLXOJN-INIZCTEOSA-N 0 3 320.458 2.177 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001286090447 1082107078 /nfs/dbraw/zinc/10/70/78/1082107078.db2.gz BDUWCSDHAOFYGQ-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cncn1C ZINC001271693648 1082111824 /nfs/dbraw/zinc/11/18/24/1082111824.db2.gz CZFOCDKFGMFNJG-HOCLYGCPSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](Cc2nccs2)C1 ZINC001650392762 1082118544 /nfs/dbraw/zinc/11/85/44/1082118544.db2.gz VRUNKGWVPAYDKG-VXGBXAGGSA-N 0 3 313.854 2.394 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001266545085 1082141030 /nfs/dbraw/zinc/14/10/30/1082141030.db2.gz FSEYAOWONAFEHC-AWEZNQCLSA-N 0 3 311.385 2.004 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)C[C@@H](C)OC)C(C)C ZINC001482521507 1082141285 /nfs/dbraw/zinc/14/12/85/1082141285.db2.gz HBOILDFTBQBGLH-VXGBXAGGSA-N 0 3 321.259 2.050 20 30 DEEDHN CN(CC(=O)NC[C@H]1CC[C@H](CNCC#N)CC1)CC(C)(C)C ZINC001271776999 1082151998 /nfs/dbraw/zinc/15/19/98/1082151998.db2.gz BZCXKTSZNATUNC-WKILWMFISA-N 0 3 322.497 2.000 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCC(=C)Br)C1 ZINC001266612227 1082208765 /nfs/dbraw/zinc/20/87/65/1082208765.db2.gz LRPVZJBUCULZBT-XYPYZODXSA-N 0 3 301.228 2.344 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1c(C)nn(C)c1C ZINC001670671949 1082210875 /nfs/dbraw/zinc/21/08/75/1082210875.db2.gz HGCIYWNIIWIDKD-MRXNPFEDSA-N 0 3 318.465 2.126 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001266614683 1082214357 /nfs/dbraw/zinc/21/43/57/1082214357.db2.gz NJPCGZSUVACHLI-MGPQQGTHSA-N 0 3 319.453 2.267 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC001266751807 1082321676 /nfs/dbraw/zinc/32/16/76/1082321676.db2.gz KLDLFFFDJQTELB-LSDHHAIUSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001266764604 1082329370 /nfs/dbraw/zinc/32/93/70/1082329370.db2.gz TZEPHHQEBYFCLQ-HZPDHXFCSA-N 0 3 324.428 2.059 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@H]1CNCc1cncc(F)c1 ZINC001266865910 1082411745 /nfs/dbraw/zinc/41/17/45/1082411745.db2.gz DRPYDTVWUODWKC-KRWDZBQOSA-N 0 3 317.408 2.495 20 30 DEEDHN C#CCCN(C)CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001480897846 1082433588 /nfs/dbraw/zinc/43/35/88/1082433588.db2.gz VDUXXRDAJXJZQI-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc2n(c1)CCCC2 ZINC001482654641 1082439192 /nfs/dbraw/zinc/43/91/92/1082439192.db2.gz COUZFUYZFSZRKT-UHFFFAOYSA-N 0 3 319.449 2.031 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccc2nc(C)sc2c1 ZINC001266952214 1082472330 /nfs/dbraw/zinc/47/23/30/1082472330.db2.gz HAFCPTRISMFPAX-UHFFFAOYSA-N 0 3 301.415 2.290 20 30 DEEDHN COCC(C)(C)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001482855150 1082532943 /nfs/dbraw/zinc/53/29/43/1082532943.db2.gz VRHQESBBUOBHPF-CQSZACIVSA-N 0 3 317.433 2.215 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c[nH]c2ncccc12 ZINC001482900165 1082546707 /nfs/dbraw/zinc/54/67/07/1082546707.db2.gz CYGWETVCDNNBBO-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C#CCNCCN(CC)C(=O)C1(c2ccc(F)cc2)CCC1 ZINC001482942796 1082571098 /nfs/dbraw/zinc/57/10/98/1082571098.db2.gz IWOPANCNUWPILG-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1cc(CO)ccc1F ZINC001483257728 1083059615 /nfs/dbraw/zinc/05/96/15/1083059615.db2.gz LCVBPJYLQRHCGW-AWEZNQCLSA-N 0 3 320.408 2.106 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107502585 1083443634 /nfs/dbraw/zinc/44/36/34/1083443634.db2.gz KJCYDQGCYHRTLM-VQIMIIECSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001276469619 1083455876 /nfs/dbraw/zinc/45/58/76/1083455876.db2.gz WNZYNXKLAOWKQB-RHSMWYFYSA-N 0 3 302.393 2.027 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccc(F)cc1)C1CC1)C1CC1 ZINC001276528417 1083480421 /nfs/dbraw/zinc/48/04/21/1083480421.db2.gz IEYLKRMEJSFLIA-KRWDZBQOSA-N 0 3 300.377 2.072 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2nccs2)[C@H](CC)C1 ZINC001276728892 1083573782 /nfs/dbraw/zinc/57/37/82/1083573782.db2.gz BROWKINXUFOWRD-ZIAGYGMSSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N1CCCCO1 ZINC001276885985 1083665625 /nfs/dbraw/zinc/66/56/25/1083665625.db2.gz TTZHOAKVHLZKJR-HZMVEIRTSA-N 0 3 322.449 2.111 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc2c(c1)CCO2 ZINC001276892020 1083667390 /nfs/dbraw/zinc/66/73/90/1083667390.db2.gz OGSDJSPMOHGGAY-QGZVFWFLSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2oc(CC)nc2C)C1 ZINC001276945989 1083693869 /nfs/dbraw/zinc/69/38/69/1083693869.db2.gz FXZJWCNFLQDXRS-HDJSIYSDSA-N 0 3 305.422 2.496 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001077712821 1083731647 /nfs/dbraw/zinc/73/16/47/1083731647.db2.gz QQYSKMSUQBVBTG-ZIAGYGMSSA-N 0 3 324.371 2.014 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2sc(N(C)C)nc2Cl)C1 ZINC001462579214 1083780064 /nfs/dbraw/zinc/78/00/64/1083780064.db2.gz INCPKFJNNZANAH-LLVKDONJSA-N 0 3 312.870 2.050 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107867069 1083786898 /nfs/dbraw/zinc/78/68/98/1083786898.db2.gz ACYPPNUEDQFKBK-MAUKXSAKSA-N 0 3 319.449 2.201 20 30 DEEDHN C#CCCCC(=O)NC[C@@]1(C)CN(CC2CCCC2)CCO1 ZINC001107903571 1083863947 /nfs/dbraw/zinc/86/39/47/1083863947.db2.gz WCOYLGGEOFFUSC-SFHVURJKSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)Cc2cncn2C)CC1 ZINC001277404063 1083950964 /nfs/dbraw/zinc/95/09/64/1083950964.db2.gz PTOCOPLGGTUXSF-UHFFFAOYSA-N 0 3 318.465 2.445 20 30 DEEDHN C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC/C=C\CC ZINC001277432091 1083966317 /nfs/dbraw/zinc/96/63/17/1083966317.db2.gz UBOCEJQFKLSPCD-SPCWZHTESA-N 0 3 318.461 2.448 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001490997284 1083996614 /nfs/dbraw/zinc/99/66/14/1083996614.db2.gz JZMROLDYFDCOAL-CWRNSKLLSA-N 0 3 302.443 2.026 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cnc(C(C)(C)C)s2)CC1 ZINC001670903176 1084042002 /nfs/dbraw/zinc/04/20/02/1084042002.db2.gz AJWYQKJJUZWVME-UHFFFAOYSA-N 0 3 305.447 2.316 20 30 DEEDHN N#Cc1ccc(CCCN2CC3(C[C@H]3C(=O)N3CC=CC3)C2)cc1 ZINC001277596317 1084049363 /nfs/dbraw/zinc/04/93/63/1084049363.db2.gz WZEHOGNRJXTTIR-SFHVURJKSA-N 0 3 321.424 2.211 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](OC(C)C)c2ccccc2)CC1 ZINC001670911623 1084067221 /nfs/dbraw/zinc/06/72/21/1084067221.db2.gz MRIKMOYWRDAFBI-QGZVFWFLSA-N 0 3 314.429 2.414 20 30 DEEDHN Cc1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)s1 ZINC001491103425 1084072398 /nfs/dbraw/zinc/07/23/98/1084072398.db2.gz VLUBNLHMOCVYHA-RISCZKNCSA-N 0 3 320.462 2.248 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001272805689 1084088041 /nfs/dbraw/zinc/08/80/41/1084088041.db2.gz UQNMKOJJMCTBIV-UHFFFAOYSA-N 0 3 318.461 2.163 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001491129000 1084095178 /nfs/dbraw/zinc/09/51/78/1084095178.db2.gz FPGYOZHIDRZOHX-LSDHHAIUSA-N 0 3 302.393 2.391 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC001672737571 1084151793 /nfs/dbraw/zinc/15/17/93/1084151793.db2.gz FGMDPBHUKPQDKE-CYBMUJFWSA-N 0 3 311.813 2.486 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1c(C)nn(CC)c1C ZINC001491229626 1084165388 /nfs/dbraw/zinc/16/53/88/1084165388.db2.gz JARLBKIGZDFDHC-INIZCTEOSA-N 0 3 318.465 2.219 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC[C@H]1CNCc1ccns1 ZINC001277850901 1084174140 /nfs/dbraw/zinc/17/41/40/1084174140.db2.gz AXEHBEXBUSGHPR-ZDUSSCGKSA-N 0 3 305.447 2.273 20 30 DEEDHN O=C(c1cocn1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001491243967 1084178002 /nfs/dbraw/zinc/17/80/02/1084178002.db2.gz AEPGCLHOFAOEQF-KRWDZBQOSA-N 0 3 323.396 2.311 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001277870355 1084185384 /nfs/dbraw/zinc/18/53/84/1084185384.db2.gz DUSOQTYZUSLWQH-DZGCQCFKSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CC2CCC2)CC2(CCOCC2)C1 ZINC001089928007 1084187006 /nfs/dbraw/zinc/18/70/06/1084187006.db2.gz GQGVADOTXHLRDS-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](CC)CC(F)F)[C@H](OC)C1 ZINC001212401025 1084205435 /nfs/dbraw/zinc/20/54/35/1084205435.db2.gz BKXUFJPPMIPABH-MGPQQGTHSA-N 0 3 318.408 2.449 20 30 DEEDHN CCCc1ccc(C(=O)N(C)C[C@@H](C)NCC#CCOC)cc1 ZINC001277921159 1084302518 /nfs/dbraw/zinc/30/25/18/1084302518.db2.gz FOVOKLRDZCBPCN-MRXNPFEDSA-N 0 3 316.445 2.339 20 30 DEEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)NCc1ccccc1N(C)C ZINC001491450614 1084321717 /nfs/dbraw/zinc/32/17/17/1084321717.db2.gz BTOBAGVTMDDYFB-HNNXBMFYSA-N 0 3 315.461 2.396 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001168637552 1084330153 /nfs/dbraw/zinc/33/01/53/1084330153.db2.gz GVONBSJTDVBKMX-CYBMUJFWSA-N 0 3 324.856 2.152 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2C[C@H](CC)OC)CCC1 ZINC001235209504 1084344897 /nfs/dbraw/zinc/34/48/97/1084344897.db2.gz MCANYYONKFKYLS-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc3[nH]cnc3c2)C1=O ZINC001272862378 1084387015 /nfs/dbraw/zinc/38/70/15/1084387015.db2.gz NKHQZWZXGICWLF-SFHVURJKSA-N 0 3 310.401 2.316 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc3nc[nH]c3c2)C1=O ZINC001272862378 1084387023 /nfs/dbraw/zinc/38/70/23/1084387023.db2.gz NKHQZWZXGICWLF-SFHVURJKSA-N 0 3 310.401 2.316 20 30 DEEDHN CC[C@@H](OC)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001235327782 1084391034 /nfs/dbraw/zinc/39/10/34/1084391034.db2.gz WCYSARMKKLMNKM-MRXNPFEDSA-N 0 3 321.396 2.060 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001235472543 1084442095 /nfs/dbraw/zinc/44/20/95/1084442095.db2.gz SONPUHVTKFVCHP-MSOLQXFVSA-N 0 3 319.493 2.197 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC001272908556 1084459860 /nfs/dbraw/zinc/45/98/60/1084459860.db2.gz YDUFSAQRUVPDKN-FQEVSTJZSA-N 0 3 321.424 2.396 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001235634055 1084482962 /nfs/dbraw/zinc/48/29/62/1084482962.db2.gz TYCMZLJEPBULQU-OAHLLOKOSA-N 0 3 320.437 2.299 20 30 DEEDHN C=CCOCC(=O)NCCCN(C)Cc1cccc(C(C)C)n1 ZINC001235699029 1084506830 /nfs/dbraw/zinc/50/68/30/1084506830.db2.gz SOBFGNUGNHTVRE-UHFFFAOYSA-N 0 3 319.449 2.346 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001078117527 1084549080 /nfs/dbraw/zinc/54/90/80/1084549080.db2.gz AKQPFMKDDUARET-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccncc2)C12CCC2 ZINC001078534830 1084728682 /nfs/dbraw/zinc/72/86/82/1084728682.db2.gz VTTHETJKPLBTHJ-KGLIPLIRSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C(F)F)C12CCC2 ZINC001078521063 1084734572 /nfs/dbraw/zinc/73/45/72/1084734572.db2.gz KLURSETYDCMQCO-IUCAKERBSA-N 0 3 323.181 2.177 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)C12CCC2 ZINC001078575697 1084752440 /nfs/dbraw/zinc/75/24/40/1084752440.db2.gz KUGBGHVWIGRZTC-QWHCGFSZSA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ocnc2C)C12CCC2 ZINC001078591582 1084761630 /nfs/dbraw/zinc/76/16/30/1084761630.db2.gz TXHOVXFAGXGCHY-VXGBXAGGSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccn(C)c2)C12CCC2 ZINC001078597183 1084763088 /nfs/dbraw/zinc/76/30/88/1084763088.db2.gz SGPPSDGSLMHOLP-ZIAGYGMSSA-N 0 3 307.825 2.408 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)Cc2cccnc2)C12CCC2 ZINC001078599586 1084763820 /nfs/dbraw/zinc/76/38/20/1084763820.db2.gz WEJSKHMHTUTIJC-HUUCEWRRSA-N 0 3 319.836 2.394 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2c(C)n[nH]c2C)C12CCC2 ZINC001078752941 1084848953 /nfs/dbraw/zinc/84/89/53/1084848953.db2.gz VKGRUJQCKLZFBF-OLZOCXBDSA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C12CCC2 ZINC001078833109 1084915037 /nfs/dbraw/zinc/91/50/37/1084915037.db2.gz TWCLSYZOJVHGNZ-RYUDHWBXSA-N 0 3 308.813 2.101 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)N[C@@H](C)c2n[nH]c(C)n2)CCC1 ZINC001485920857 1084985520 /nfs/dbraw/zinc/98/55/20/1084985520.db2.gz TXIPJYDNCQWYEJ-STQMWFEESA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)N[C@H](C)c2n[nH]c(C)n2)CCC1 ZINC001485920855 1084985772 /nfs/dbraw/zinc/98/57/72/1084985772.db2.gz TXIPJYDNCQWYEJ-QWHCGFSZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCC(=O)N(C)CC)CCCC1 ZINC001485964476 1085013815 /nfs/dbraw/zinc/01/38/15/1085013815.db2.gz JRXWCVMPJWIROM-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@H](C(=O)N(C)C[C@H](C)NCC#CCOC)c1ccccc1 ZINC001485958466 1085020767 /nfs/dbraw/zinc/02/07/67/1085020767.db2.gz LFTCKMPTWSHYNR-WMZOPIPTSA-N 0 3 314.429 2.043 20 30 DEEDHN C=C[C@@H](C(=O)N(C)C[C@H](C)NCC#CCOC)c1ccccc1 ZINC001485958464 1085021374 /nfs/dbraw/zinc/02/13/74/1085021374.db2.gz LFTCKMPTWSHYNR-FUHWJXTLSA-N 0 3 314.429 2.043 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](CO)N[C@H](C)c1cccc(Cl)c1 ZINC001485995078 1085028550 /nfs/dbraw/zinc/02/85/50/1085028550.db2.gz XWKKFSANEFFBMJ-CZUORRHYSA-N 0 3 322.836 2.127 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccncc1 ZINC001486069859 1085041211 /nfs/dbraw/zinc/04/12/11/1085041211.db2.gz JXKZPADQKSEZDY-VQIMIIECSA-N 0 3 319.408 2.326 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](NCc2cc(C)ccc2F)C[C@@H]1C ZINC001486104613 1085066966 /nfs/dbraw/zinc/06/69/66/1085066966.db2.gz MGKKSJRHYAXGJA-HOCLYGCPSA-N 0 3 320.408 2.416 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001486114466 1085072485 /nfs/dbraw/zinc/07/24/85/1085072485.db2.gz NWJLVLLZUCZPIN-NVXWUHKLSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001486201361 1085127167 /nfs/dbraw/zinc/12/71/67/1085127167.db2.gz SFDXEDFJOLWAOB-OLZOCXBDSA-N 0 3 313.405 2.022 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(Cl)c(Cl)n1C ZINC000960180009 1085138057 /nfs/dbraw/zinc/13/80/57/1085138057.db2.gz GHHKHJAVTPIBAL-GDGBQDQQSA-N 0 3 314.216 2.178 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NCC(=O)N[C@@H](C)CC)C(C)(C)C1 ZINC001486240009 1085158102 /nfs/dbraw/zinc/15/81/02/1085158102.db2.gz HSYAJBLPTMVRHM-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000960243476 1085160977 /nfs/dbraw/zinc/16/09/77/1085160977.db2.gz YLGJGISHMLXDKY-IXDOHACOSA-N 0 3 300.402 2.113 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2n(n1)CCC2 ZINC000960271661 1085174305 /nfs/dbraw/zinc/17/43/05/1085174305.db2.gz SQVADMWUKQNAON-SJLPKXTDSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CCOCC1 ZINC000960312496 1085191084 /nfs/dbraw/zinc/19/10/84/1085191084.db2.gz DDCHZZGCFOPIHD-IAGOWNOFSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(C)n[nH]c1C ZINC000960316108 1085192693 /nfs/dbraw/zinc/19/26/93/1085192693.db2.gz CXWAXMVSLPYIII-NVXWUHKLSA-N 0 3 310.401 2.198 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1cccc(C)n1)CC2 ZINC001272944102 1085273658 /nfs/dbraw/zinc/27/36/58/1085273658.db2.gz KQIKNSMUPOWFBQ-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000960434536 1085278847 /nfs/dbraw/zinc/27/88/47/1085278847.db2.gz USOOVRJBCMZUKH-INIZCTEOSA-N 0 3 323.400 2.018 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)Cc2cncc(C)c2)CC1 ZINC001486438794 1085314661 /nfs/dbraw/zinc/31/46/61/1085314661.db2.gz AAGLIKMNWQSXPI-MRXNPFEDSA-N 0 3 313.445 2.173 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](CC)OCC)CC2)CC1 ZINC001486487216 1085374275 /nfs/dbraw/zinc/37/42/75/1085374275.db2.gz OYAMTBHGYFPWMM-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C[C@@H]1CC(C)(C)CO1 ZINC000960615241 1085384907 /nfs/dbraw/zinc/38/49/07/1085384907.db2.gz VNRJYXBFKQAJQE-SJORKVTESA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c([nH]1)c(F)ccc2C ZINC000960679490 1085411413 /nfs/dbraw/zinc/41/14/13/1085411413.db2.gz IAGIYISDXYNFIL-VIKVFOODSA-N 0 3 313.376 2.461 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)c1cnco1 ZINC000960768118 1085439526 /nfs/dbraw/zinc/43/95/26/1085439526.db2.gz JKURVXUNZJGCRX-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc2ccc(OC)cc21 ZINC000960986883 1085527566 /nfs/dbraw/zinc/52/75/66/1085527566.db2.gz KEKHXYQUACPGHC-HALDLXJZSA-N 0 3 312.369 2.287 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@H]([C@H]3CCN(CCF)C3)C2)c1 ZINC000961135487 1085603813 /nfs/dbraw/zinc/60/38/13/1085603813.db2.gz GIQRSTOZHHYCFD-GJZGRUSLSA-N 0 3 318.396 2.030 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)c2cccnc12 ZINC000961228740 1085644524 /nfs/dbraw/zinc/64/45/24/1085644524.db2.gz OPBQJKZQGFKAHC-VQFNDLOPSA-N 0 3 307.397 2.389 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC001128409059 1085768871 /nfs/dbraw/zinc/76/88/71/1085768871.db2.gz RDEJSAYGMKWMGP-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)(F)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000966083016 1085786292 /nfs/dbraw/zinc/78/62/92/1085786292.db2.gz PGGWJOBBVQDBEK-CYBMUJFWSA-N 0 3 307.344 2.136 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc3cccnc3c2)C1=O ZINC001273007761 1085900156 /nfs/dbraw/zinc/90/01/56/1085900156.db2.gz DJVBDCJRMBFZOM-HXUWFJFHSA-N 0 3 319.408 2.435 20 30 DEEDHN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000962176846 1085995408 /nfs/dbraw/zinc/99/54/08/1085995408.db2.gz DNGOEZPWWNDIOK-MNZLEMJZSA-N 0 3 321.424 2.468 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(CCC)nc1C ZINC000962310567 1086061923 /nfs/dbraw/zinc/06/19/23/1086061923.db2.gz VYXRGTWPFAYYIU-NHAGDIPZSA-N 0 3 303.406 2.172 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3ccncn3)CC2)C1=O ZINC001273116067 1086250743 /nfs/dbraw/zinc/25/07/43/1086250743.db2.gz XLFVLTSARXLUOD-SFHVURJKSA-N 0 3 314.433 2.257 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cncnc1C)C2 ZINC000963591207 1086506339 /nfs/dbraw/zinc/50/63/39/1086506339.db2.gz VVBXHTVELYSBMM-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(C#N)nc3)CC2)C1=O ZINC001273178116 1087191773 /nfs/dbraw/zinc/19/17/73/1087191773.db2.gz SRCCQRRGXGVECM-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001090285148 1087219558 /nfs/dbraw/zinc/21/95/58/1087219558.db2.gz CZIRWXUGKNARBD-HOTGVXAUSA-N 0 3 314.385 2.174 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1(CNC(=O)CN(C)CCC)CCC1 ZINC001063856168 1087495353 /nfs/dbraw/zinc/49/53/53/1087495353.db2.gz IHDGRYOYYMAEKZ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@H](O)C1 ZINC001090338646 1087688708 /nfs/dbraw/zinc/68/87/08/1087688708.db2.gz KJXZDRMEHIALTE-HZPDHXFCSA-N 0 3 324.371 2.014 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001114729378 1088305934 /nfs/dbraw/zinc/30/59/34/1088305934.db2.gz PYGBABCHQZXTNT-UTXMOHQDSA-N 0 3 319.474 2.334 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001079690329 1088325781 /nfs/dbraw/zinc/32/57/81/1088325781.db2.gz VGVSRTSUZCDZKC-TZMCWYRMSA-N 0 3 303.406 2.180 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)oc(C)c1C ZINC001114538608 1088369119 /nfs/dbraw/zinc/36/91/19/1088369119.db2.gz REAOWEIASYDJPE-QLPKVWCKSA-N 0 3 318.417 2.067 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001079865511 1088456223 /nfs/dbraw/zinc/45/62/23/1088456223.db2.gz OOIBKBMZHQDULV-MZMPZRCHSA-N 0 3 314.429 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001079874963 1088463472 /nfs/dbraw/zinc/46/34/72/1088463472.db2.gz NWFWZWQHEJOFJG-ZYHUDNBSSA-N 0 3 310.829 2.252 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001079909156 1088485896 /nfs/dbraw/zinc/48/58/96/1088485896.db2.gz FWRAIWUQLQXUNA-NVXWUHKLSA-N 0 3 324.428 2.499 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001079909999 1088486326 /nfs/dbraw/zinc/48/63/26/1088486326.db2.gz WEOGXEXNAYTARM-RHSMWYFYSA-N 0 3 314.429 2.177 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cncc(Cl)c2C)C1 ZINC001079897270 1088496170 /nfs/dbraw/zinc/49/61/70/1088496170.db2.gz CNPNIWVTWFWRHX-IAQYHMDHSA-N 0 3 305.809 2.117 20 30 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C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084654993 1090366247 /nfs/dbraw/zinc/36/62/47/1090366247.db2.gz JDUQZLMAZAZLDD-RRFJBIMHSA-N 0 3 310.388 2.368 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001410205215 1090424740 /nfs/dbraw/zinc/42/47/40/1090424740.db2.gz BLQZCQDMRINZSO-CTYIDZIISA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cccc(OC)c3)[C@@H]2C1 ZINC001084810773 1090455051 /nfs/dbraw/zinc/45/50/51/1090455051.db2.gz DNOZXRNEBWMOJO-SJLPKXTDSA-N 0 3 314.429 2.347 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCc3cccs3)[C@@H]2C1 ZINC001084822330 1090463096 /nfs/dbraw/zinc/46/30/96/1090463096.db2.gz UGUAVICXFXWPGP-GDBMZVCRSA-N 0 3 302.443 2.237 20 30 DEEDHN C=C[C@H](C(=O)N1C[C@H]2CCN(CCOC)C[C@H]21)c1ccccc1 ZINC001084847123 1090472504 /nfs/dbraw/zinc/47/25/04/1090472504.db2.gz KZVGEZNIYUNNRD-FGTMMUONSA-N 0 3 314.429 2.135 20 30 DEEDHN C[C@H](CN(C)C(=O)C1CCC1)NCc1ccc(F)c(C#N)c1 ZINC001410339389 1090564925 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C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc2c1COCC2 ZINC001275114558 1091564861 /nfs/dbraw/zinc/56/48/61/1091564861.db2.gz JLJBZYJRKJIGJT-INIZCTEOSA-N 0 3 314.429 2.482 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)Cc1occc1C ZINC001275142362 1091581752 /nfs/dbraw/zinc/58/17/52/1091581752.db2.gz AYHXEOOAYRACTQ-INIZCTEOSA-N 0 3 320.433 2.256 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H](OC)C(F)(F)F ZINC001275160528 1091590688 /nfs/dbraw/zinc/59/06/88/1091590688.db2.gz NPBYRQKSICWDMB-RYUDHWBXSA-N 0 3 308.344 2.063 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001275160996 1091591108 /nfs/dbraw/zinc/59/11/08/1091591108.db2.gz WJXWMMBRSDNHAG-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001275176325 1091599833 /nfs/dbraw/zinc/59/98/33/1091599833.db2.gz NMRCDSPTLCIEAX-DLBZAZTESA-N 0 3 314.429 2.407 20 30 DEEDHN CC#CCCCC(=O)NC1CC(CNCc2ccn(CC)n2)C1 ZINC001275274271 1091647590 /nfs/dbraw/zinc/64/75/90/1091647590.db2.gz JYRIKGHURUDPFA-UHFFFAOYSA-N 0 3 316.449 2.081 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001275274336 1091648162 /nfs/dbraw/zinc/64/81/62/1091648162.db2.gz PZNIWJSDEDRVDQ-ZDUSSCGKSA-N 0 3 303.431 2.408 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C1CCCCC1 ZINC001275368245 1091695478 /nfs/dbraw/zinc/69/54/78/1091695478.db2.gz WQWZJTSEKCZWEN-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(C[C@H](C)C(F)(F)F)CC2 ZINC001273444958 1091767636 /nfs/dbraw/zinc/76/76/36/1091767636.db2.gz DPDBOXBKVKXUOS-RYUDHWBXSA-N 0 3 302.340 2.036 20 30 DEEDHN CS[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001441494165 1091817238 /nfs/dbraw/zinc/81/72/38/1091817238.db2.gz HFEKTOMEHFJYKD-WDEREUQCSA-N 0 3 311.476 2.308 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001178577196 1091856709 /nfs/dbraw/zinc/85/67/09/1091856709.db2.gz SBVCTSWSOHYGEN-WFASDCNBSA-N 0 3 305.447 2.334 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001273531368 1091905722 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C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC[C@@H](F)C1)CCO2 ZINC000949095866 1092049517 /nfs/dbraw/zinc/04/95/17/1092049517.db2.gz ZLJIRTFGHXGWBQ-JKSUJKDBSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3occc3C)CC2)C1 ZINC000949298976 1092097882 /nfs/dbraw/zinc/09/78/82/1092097882.db2.gz VGWGLMLPWNOLTD-UHFFFAOYSA-N 0 3 318.417 2.471 20 30 DEEDHN C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)COC ZINC001273813194 1092148464 /nfs/dbraw/zinc/14/84/64/1092148464.db2.gz COINYFQZALURCY-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N(C)CCn2cccn2)CC1 ZINC001275921558 1092316464 /nfs/dbraw/zinc/31/64/64/1092316464.db2.gz UYGZWXLTVZMOSB-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001488136638 1092337241 /nfs/dbraw/zinc/33/72/41/1092337241.db2.gz RGYBBKWEVUMOFO-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NC(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001488681338 1092682007 /nfs/dbraw/zinc/68/20/07/1092682007.db2.gz 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ZINC001490003845 1093183700 /nfs/dbraw/zinc/18/37/00/1093183700.db2.gz YBWGBUSBKPDMLY-ARFHVFGLSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(F)c2ncccc2c1 ZINC001490258630 1093265440 /nfs/dbraw/zinc/26/54/40/1093265440.db2.gz LVCWNRPVYKFYBL-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1n[nH]c(C)n1 ZINC001490305237 1093287074 /nfs/dbraw/zinc/28/70/74/1093287074.db2.gz FBLCERMJWXQCQB-UKRRQHHQSA-N 0 3 319.453 2.329 20 30 DEEDHN C#CCN(CCCNC(=O)c1scnc1C(F)F)C1CC1 ZINC001490380166 1093334171 /nfs/dbraw/zinc/33/41/71/1093334171.db2.gz XRVAYAFFUWFQKU-UHFFFAOYSA-N 0 3 313.373 2.298 20 30 DEEDHN CO[C@H](CN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CCC1 ZINC001490437214 1093383573 /nfs/dbraw/zinc/38/35/73/1093383573.db2.gz QHFCMFJHMQPJNF-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001490454300 1093392832 /nfs/dbraw/zinc/39/28/32/1093392832.db2.gz GXULHPDBDQVVMV-HUUCEWRRSA-N 0 3 317.433 2.232 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2(C(F)F)CCCC2)CC1 ZINC001490598696 1093437406 /nfs/dbraw/zinc/43/74/06/1093437406.db2.gz CTHKXKCQTSIMPV-CYBMUJFWSA-N 0 3 310.388 2.416 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3ccsc3C)C2)OCC1=O ZINC001274075726 1093791171 /nfs/dbraw/zinc/79/11/71/1093791171.db2.gz RRHMCYRLHHMALU-MRXNPFEDSA-N 0 3 306.431 2.046 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001274097233 1093797689 /nfs/dbraw/zinc/79/76/89/1093797689.db2.gz RKSBVHMMJGURTL-FUTAKVPZSA-N 0 3 312.413 2.010 20 30 DEEDHN C#CCN1c2ccccc2[C@]2(CCN(Cc3cnc(C)o3)C2)C1=O ZINC001274160444 1093827694 /nfs/dbraw/zinc/82/76/94/1093827694.db2.gz WXBXZIWFAZKJGV-LJQANCHMSA-N 0 3 321.380 2.107 20 30 DEEDHN Cc1cc(CNC[C@H]2CCCN(C(=O)C#CC(C)(C)C)C2)on1 ZINC001480283215 1151740437 /nfs/dbraw/zinc/74/04/37/1151740437.db2.gz HXFZKMRWGDMBSD-OAHLLOKOSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc2c1OCCCO2 ZINC001329589778 1148930803 /nfs/dbraw/zinc/93/08/03/1148930803.db2.gz SDTXQTDGXKWUOA-CYBMUJFWSA-N 0 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/nfs/dbraw/zinc/85/32/44/1138853244.db2.gz KQVFJIVXZZZGRS-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC001316652057 1138869654 /nfs/dbraw/zinc/86/96/54/1138869654.db2.gz NGQRNLXELZIKBC-SOUVJXGZSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)CN(C)C(C)C ZINC001294358893 1139138487 /nfs/dbraw/zinc/13/84/87/1139138487.db2.gz HSGRUAOVHLVZEX-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC001316659415 1139671070 /nfs/dbraw/zinc/67/10/70/1139671070.db2.gz KBWXWZBPZLLVMI-LSDHHAIUSA-N 0 3 304.438 2.151 20 30 DEEDHN CCN1CCN(c2ccc(-c3cnc(C#N)c(C#N)n3)cc2)CC1 ZINC001241742503 1139847909 /nfs/dbraw/zinc/84/79/09/1139847909.db2.gz KUXYMNOKAIGBQO-UHFFFAOYSA-N 0 3 318.384 2.029 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC/C=C/Cl)C1 ZINC001316668324 1140287709 /nfs/dbraw/zinc/28/77/09/1140287709.db2.gz FBJFSGACLPSECC-SJKUQHEZSA-N 0 3 322.840 2.023 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001491739902 1140292265 /nfs/dbraw/zinc/29/22/65/1140292265.db2.gz OQCCFHCHXKUBDJ-OLZOCXBDSA-N 0 3 306.356 2.282 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2cccc(Cl)c2F)C1 ZINC001491753751 1140298017 /nfs/dbraw/zinc/29/80/17/1140298017.db2.gz RUFMFURAFGXGLG-ZDUSSCGKSA-N 0 3 308.784 2.235 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@@H]1C ZINC001278377896 1140319064 /nfs/dbraw/zinc/31/90/64/1140319064.db2.gz JGIAANCZOVETLO-ZFWWWQNUSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001318424319 1140325163 /nfs/dbraw/zinc/32/51/63/1140325163.db2.gz IVXDCQLFDBKFGW-SJLPKXTDSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)NCC(=O)N(CC)CC)CC1 ZINC001318569766 1140367088 /nfs/dbraw/zinc/36/70/88/1140367088.db2.gz VXMPLRNBOHDMKU-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cncc(OC(C)C)c2)C1 ZINC001278389763 1140472580 /nfs/dbraw/zinc/47/25/80/1140472580.db2.gz AXRLKFQOROKNBD-HOCLYGCPSA-N 0 3 315.417 2.085 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](N[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001318966600 1140481240 /nfs/dbraw/zinc/48/12/40/1140481240.db2.gz VGYCIOUPAVFXPM-MRVWCRGKSA-N 0 3 319.453 2.403 20 30 DEEDHN CCCCC(=O)NCc1ccc(CNCC#CCOC)cc1 ZINC001318988698 1140487336 /nfs/dbraw/zinc/48/73/36/1140487336.db2.gz JGGGBQMLUDSXLL-UHFFFAOYSA-N 0 3 302.418 2.232 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)[C@@H](C)COC)cc1 ZINC001318996860 1140488232 /nfs/dbraw/zinc/48/82/32/1140488232.db2.gz WWBFYMNQYNBHNE-HOTGVXAUSA-N 0 3 316.445 2.334 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2COc3ccccc32)cc1 ZINC001319008890 1140489955 /nfs/dbraw/zinc/48/99/55/1140489955.db2.gz MHTITKZVAZZGPZ-GOSISDBHSA-N 0 3 320.392 2.202 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001319443257 1140577879 /nfs/dbraw/zinc/57/78/79/1140577879.db2.gz QHXNDMZDFFQGQO-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C1=CCCCCC1 ZINC001319448783 1140578863 /nfs/dbraw/zinc/57/88/63/1140578863.db2.gz QCODHNBQPPJMOQ-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)C(C)(C)CCC)C1=O ZINC001319523413 1140608626 /nfs/dbraw/zinc/60/86/26/1140608626.db2.gz QRQNCGGLLYOOKH-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)c1ccsc1C ZINC001319610990 1140625743 /nfs/dbraw/zinc/62/57/43/1140625743.db2.gz ZMHWHRPQLAFXOL-HNNXBMFYSA-N 0 3 322.474 2.440 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001278405894 1140632848 /nfs/dbraw/zinc/63/28/48/1140632848.db2.gz QHBJQBSEAZPIAC-WBVHZDCISA-N 0 3 304.438 2.237 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1c[nH]nc1-c1ccoc1 ZINC001320029440 1140813588 /nfs/dbraw/zinc/81/35/88/1140813588.db2.gz ZGORLGLGGSNCOF-UHFFFAOYSA-N 0 3 302.378 2.250 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001320061741 1140817092 /nfs/dbraw/zinc/81/70/92/1140817092.db2.gz OBOVWUBYSVDLQA-UHFFFAOYSA-N 0 3 317.433 2.246 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1n[nH]c2c1CCCCC2 ZINC001320084337 1140819485 /nfs/dbraw/zinc/81/94/85/1140819485.db2.gz HOEGEDDGQUUFEO-UHFFFAOYSA-N 0 3 304.438 2.259 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1ccn(C)n1 ZINC001320154379 1140830806 /nfs/dbraw/zinc/83/08/06/1140830806.db2.gz NXFCRDJRXZXGQB-GOEBONIOSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCO[C@@H]1CCN(CCOc2cccc(C(=O)OC)c2)C1 ZINC001320157398 1140831233 /nfs/dbraw/zinc/83/12/33/1140831233.db2.gz VAXNFXKBXCCQJX-MRXNPFEDSA-N 0 3 305.374 2.129 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC001278427325 1140854522 /nfs/dbraw/zinc/85/45/22/1140854522.db2.gz RJUMKGZNVURZDW-KRWDZBQOSA-N 0 3 318.421 2.036 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)[C@@H](OC)C(C)C ZINC001320831602 1140941775 /nfs/dbraw/zinc/94/17/75/1140941775.db2.gz ZDMUVWLHNPMHLY-KRWDZBQOSA-N 0 3 317.433 2.167 20 30 DEEDHN C=CCC1(C(=O)N(CC)CCNCc2cn(C)nc2C)CCC1 ZINC001320843745 1140951165 /nfs/dbraw/zinc/95/11/65/1140951165.db2.gz JGONPSZYRVVMHU-UHFFFAOYSA-N 0 3 318.465 2.413 20 30 DEEDHN CC[C@@H](SC)C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001321027852 1141033116 /nfs/dbraw/zinc/03/31/16/1141033116.db2.gz DBROZDQTHXVHET-YIEVGGLXSA-N 0 3 317.458 2.462 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001321083398 1141049058 /nfs/dbraw/zinc/04/90/58/1141049058.db2.gz JCBZKXBKBPXVBZ-ARJAWSKDSA-N 0 3 302.805 2.267 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)C[C@H](C)c1ccccc1 ZINC001321379301 1141218280 /nfs/dbraw/zinc/21/82/80/1141218280.db2.gz WVBOGNLUGKRLOJ-LXXRFIIISA-N 0 3 314.429 2.092 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001321406290 1141232696 /nfs/dbraw/zinc/23/26/96/1141232696.db2.gz VNUVXSBAPHZIOI-MDZDMXLPSA-N 0 3 316.449 2.099 20 30 DEEDHN CC(C)SCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321789681 1141343533 /nfs/dbraw/zinc/34/35/33/1141343533.db2.gz FDLHKFQYSCJUSQ-AWEZNQCLSA-N 0 3 322.449 2.413 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(C)(C)C)CC1 ZINC001321828647 1141350567 /nfs/dbraw/zinc/35/05/67/1141350567.db2.gz BBYLBVWDVDTPSC-OAHLLOKOSA-N 0 3 320.481 2.134 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1(C(F)F)CC1 ZINC001321842821 1141353131 /nfs/dbraw/zinc/35/31/31/1141353131.db2.gz XVVUMTDCFLDXDS-LBPRGKRZSA-N 0 3 324.346 2.317 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC1CCCC1 ZINC001321859238 1141355900 /nfs/dbraw/zinc/35/59/00/1141355900.db2.gz CYWXZDOJQWEVHT-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cc2ccccc2s1 ZINC001321910367 1141364500 /nfs/dbraw/zinc/36/45/00/1141364500.db2.gz ZBLDASLQEBBZKY-ZDUSSCGKSA-N 0 3 316.426 2.259 20 30 DEEDHN COc1ccc(CN(C)C[C@H](C)NC(=O)C#CC(C)C)cc1 ZINC001322146261 1141412248 /nfs/dbraw/zinc/41/22/48/1141412248.db2.gz HDQOVBQMWLZCOS-HNNXBMFYSA-N 0 3 302.418 2.291 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001322150203 1141415944 /nfs/dbraw/zinc/41/59/44/1141415944.db2.gz YXBMONUFMMUQLX-RDTXWAMCSA-N 0 3 322.424 2.398 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1csc([C@H]2CCCO2)n1 ZINC001322155355 1141420007 /nfs/dbraw/zinc/42/00/07/1141420007.db2.gz BWZPIBOEZGSAJQ-WCQYABFASA-N 0 3 309.435 2.231 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2cnc(C)cn2)C1 ZINC001322690953 1141685290 /nfs/dbraw/zinc/68/52/90/1141685290.db2.gz SGXAGGBBNAWWOZ-UHFFFAOYSA-N 0 3 302.422 2.079 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001323277102 1141835809 /nfs/dbraw/zinc/83/58/09/1141835809.db2.gz KAYAPDBZYNNVNF-UONOGXRCSA-N 0 3 303.406 2.249 20 30 DEEDHN COCC#CCNC1(CNC(=O)CCCCC(C)(C)C)CC1 ZINC001323441099 1141853816 /nfs/dbraw/zinc/85/38/16/1141853816.db2.gz DSAHFHVFRUEDQJ-UHFFFAOYSA-N 0 3 308.466 2.481 20 30 DEEDHN N#Cc1cc(F)cc(-c2noc([C@H](O)[C@@H](N)c3ccccc3)n2)c1 ZINC001249179306 1141857508 /nfs/dbraw/zinc/85/75/08/1141857508.db2.gz VVSKFTOZVGYULQ-LSDHHAIUSA-N 0 3 324.315 2.481 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CN(C)c2ccccc2)CC1 ZINC001324353053 1142061304 /nfs/dbraw/zinc/06/13/04/1142061304.db2.gz LIJMCTVWRXMCTQ-UHFFFAOYSA-N 0 3 313.445 2.117 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCc2cccnc21)C1CCN(CC=C)CC1 ZINC001324413157 1142073647 /nfs/dbraw/zinc/07/36/47/1142073647.db2.gz IOVSTEHUAJVVEW-SFHVURJKSA-N 0 3 323.440 2.224 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC001278632269 1142393569 /nfs/dbraw/zinc/39/35/69/1142393569.db2.gz MBSMFPTYLGJOFY-CYBMUJFWSA-N 0 3 317.433 2.246 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001337439055 1142753384 /nfs/dbraw/zinc/75/33/84/1142753384.db2.gz WVNAKMHCXNNYEB-ZBFHGGJFSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(O)CN1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001252546930 1142757791 /nfs/dbraw/zinc/75/77/91/1142757791.db2.gz COLBUOVYYJYCLX-INIZCTEOSA-N 0 3 310.438 2.399 20 30 DEEDHN C=C[C@](C)(O)CN1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001252550794 1142758810 /nfs/dbraw/zinc/75/88/10/1142758810.db2.gz OQNRLRAMCMJXRJ-SFHVURJKSA-N 0 3 301.434 2.359 20 30 DEEDHN C=C[C@](C)(O)CNCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001252584862 1142771918 /nfs/dbraw/zinc/77/19/18/1142771918.db2.gz HKDIERIMJZQAAX-INIZCTEOSA-N 0 3 302.330 2.097 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(c2cccc3n[nH]cc32)CC1 ZINC001252603087 1142782917 /nfs/dbraw/zinc/78/29/17/1142782917.db2.gz KXFJYYUKTNGCMV-CQSZACIVSA-N 0 3 300.406 2.012 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)C2CCCCC2)CC1 ZINC001252602065 1142784407 /nfs/dbraw/zinc/78/44/07/1142784407.db2.gz KEOBDTJBQCUEPA-QGZVFWFLSA-N 0 3 308.466 2.428 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC001337760167 1142800546 /nfs/dbraw/zinc/80/05/46/1142800546.db2.gz HWOFAEOMVFMMRU-MOPGFXCFSA-N 0 3 310.441 2.327 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001252681758 1142807247 /nfs/dbraw/zinc/80/72/47/1142807247.db2.gz TUMXUZMMHNJZPT-FUHWJXTLSA-N 0 3 318.417 2.187 20 30 DEEDHN CC(C)OC[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC001252700635 1142809576 /nfs/dbraw/zinc/80/95/76/1142809576.db2.gz RVAQCMKONVWDPW-CYBMUJFWSA-N 0 3 316.323 2.453 20 30 DEEDHN C#CCNC(=O)CCN[C@H](Cc1ccccc1)c1ccccn1 ZINC001338436818 1142856130 /nfs/dbraw/zinc/85/61/30/1142856130.db2.gz RKOONEPTHKXYEC-GOSISDBHSA-N 0 3 307.397 2.095 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001338704743 1142872376 /nfs/dbraw/zinc/87/23/76/1142872376.db2.gz SRNDKLJJMAJERW-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCOc1ccc(CNCc2c(C)c(C)n[nH]c2=O)cc1 ZINC001339017450 1142901491 /nfs/dbraw/zinc/90/14/91/1142901491.db2.gz MIIBJJAYQJQGMR-UHFFFAOYSA-N 0 3 311.385 2.491 20 30 DEEDHN CN(CCN1CC2(C1)CCOCC2)c1cc(C#N)cc(Cl)n1 ZINC001339800049 1143108052 /nfs/dbraw/zinc/10/80/52/1143108052.db2.gz XWKYLJKZLISWMV-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN C#CC1(N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254686003 1143311025 /nfs/dbraw/zinc/31/10/25/1143311025.db2.gz DXTMBNFABLAYPC-LBPRGKRZSA-N 0 3 308.447 2.237 20 30 DEEDHN C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCN(C)C2)n1CC ZINC001340461493 1143351588 /nfs/dbraw/zinc/35/15/88/1143351588.db2.gz ZSSSRVSNQDERLG-LSDHHAIUSA-N 0 3 301.438 2.099 20 30 DEEDHN N#Cc1ccc(N2CCN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254954903 1143370981 /nfs/dbraw/zinc/37/09/81/1143370981.db2.gz VSLXSWWJVLGNRA-VQFNDLOPSA-N 0 3 309.413 2.438 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C1(OC)CC1 ZINC001340668340 1143394230 /nfs/dbraw/zinc/39/42/30/1143394230.db2.gz LCZLRAMTPWHHRT-UONOGXRCSA-N 0 3 319.453 2.019 20 30 DEEDHN C=CCn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C1(OC)CC1 ZINC001340668341 1143394866 /nfs/dbraw/zinc/39/48/66/1143394866.db2.gz LCZLRAMTPWHHRT-ZIAGYGMSSA-N 0 3 319.453 2.019 20 30 DEEDHN CC[C@@H](CC#N)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001255154857 1143448353 /nfs/dbraw/zinc/44/83/53/1143448353.db2.gz HBEROEMMQKZSDI-SFHVURJKSA-N 0 3 300.450 2.216 20 30 DEEDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NCc1cc(C#N)co1)C2 ZINC001255198827 1143486724 /nfs/dbraw/zinc/48/67/24/1143486724.db2.gz OXAQJKMPCMOJMZ-BTTYYORXSA-N 0 3 303.362 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)CC1 ZINC001341313117 1143582636 /nfs/dbraw/zinc/58/26/36/1143582636.db2.gz XKZKQYNKZJJIEO-JHDROBOHSA-N 0 3 315.461 2.490 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001341502305 1143615572 /nfs/dbraw/zinc/61/55/72/1143615572.db2.gz KTYRILDEHVZEFE-SJORKVTESA-N 0 3 324.465 2.247 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001341497888 1143615679 /nfs/dbraw/zinc/61/56/79/1143615679.db2.gz SERYBCMOXMUEPE-HNNXBMFYSA-N 0 3 315.421 2.422 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC001341538284 1143625217 /nfs/dbraw/zinc/62/52/17/1143625217.db2.gz HGQAAKHZBSWXSN-OAHLLOKOSA-N 0 3 304.390 2.414 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC001341540249 1143625261 /nfs/dbraw/zinc/62/52/61/1143625261.db2.gz PJWJACYUIXIYJI-CYBMUJFWSA-N 0 3 300.406 2.295 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC001341579527 1143633431 /nfs/dbraw/zinc/63/34/31/1143633431.db2.gz QIHMKIFESDFNJW-SRVKXCTJSA-N 0 3 308.344 2.238 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C ZINC001341593247 1143634073 /nfs/dbraw/zinc/63/40/73/1143634073.db2.gz LGSGBOFRGAARRZ-TZMCWYRMSA-N 0 3 301.390 2.039 20 30 DEEDHN N#CC1(c2ccccc2)CC(NCCOC[C@@H]2CCOC2)C1 ZINC001255467191 1143648372 /nfs/dbraw/zinc/64/83/72/1143648372.db2.gz QKYWLYFANSCBBZ-FAEJEUNOSA-N 0 3 300.402 2.253 20 30 DEEDHN C=CCn1c(-c2cocn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001342118973 1143793404 /nfs/dbraw/zinc/79/34/04/1143793404.db2.gz HDWIULSXTFJBTA-QWHCGFSZSA-N 0 3 316.409 2.038 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1CCN([C@H](C)CC)CC1 ZINC001342344095 1143812576 /nfs/dbraw/zinc/81/25/76/1143812576.db2.gz MIABHBUWWSAHCX-HUUCEWRRSA-N 0 3 321.469 2.218 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2ccccc2n1CC1CC1 ZINC001342516590 1143821455 /nfs/dbraw/zinc/82/14/55/1143821455.db2.gz BWUVRUSRPHHWNQ-CYBMUJFWSA-N 0 3 311.389 2.406 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@]1(CO)c1ccccc1 ZINC001342813544 1143837858 /nfs/dbraw/zinc/83/78/58/1143837858.db2.gz LEEDLMWVQDWPLH-WMZOPIPTSA-N 0 3 302.418 2.180 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@@H](C)CCC(=O)OC)C2)CC1 ZINC001258366222 1143998093 /nfs/dbraw/zinc/99/80/93/1143998093.db2.gz LXWGNHOAXSFMCY-AWEZNQCLSA-N 0 3 324.421 2.049 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC001263094291 1144355015 /nfs/dbraw/zinc/35/50/15/1144355015.db2.gz BLFRPSLLOMRAPX-HNNXBMFYSA-N 0 3 304.438 2.228 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1c(C)noc1C ZINC001263820548 1144401213 /nfs/dbraw/zinc/40/12/13/1144401213.db2.gz BDNMHKUCGFKDGH-OAHLLOKOSA-N 0 3 305.422 2.333 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C#CC2CC2)C1 ZINC001263884148 1144420228 /nfs/dbraw/zinc/42/02/28/1144420228.db2.gz CWANOSVTDRDEEH-RBUKOAKNSA-N 0 3 306.409 2.007 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccncn1 ZINC001263959645 1144432996 /nfs/dbraw/zinc/43/29/96/1144432996.db2.gz XYCFUSCIIAUVAK-WFASDCNBSA-N 0 3 322.840 2.450 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2(C(F)F)CCC2)[C@H]1C ZINC001264157864 1144489647 /nfs/dbraw/zinc/48/96/47/1144489647.db2.gz VKPCOIGDCLDDIL-OLZOCXBDSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1c(C)nn(C)c1C ZINC001264184369 1144498901 /nfs/dbraw/zinc/49/89/01/1144498901.db2.gz PUMCKGYSKZIJEW-HNNXBMFYSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1cc(C)on1 ZINC001264185698 1144500998 /nfs/dbraw/zinc/50/09/98/1144500998.db2.gz IBTWVFSOAJGPKG-INIZCTEOSA-N 0 3 305.422 2.415 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CC(=O)N(C)C)CC(C)(C)C1 ZINC001264194908 1144503937 /nfs/dbraw/zinc/50/39/37/1144503937.db2.gz IENYNQKBEOTENZ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1CC ZINC001264607874 1144577474 /nfs/dbraw/zinc/57/74/74/1144577474.db2.gz OJVMAFSCBYLYBB-JKSUJKDBSA-N 0 3 306.450 2.208 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cccc(C)c2C)C1 ZINC001264636313 1144582867 /nfs/dbraw/zinc/58/28/67/1144582867.db2.gz QUOVOGVYPBDELQ-QGZVFWFLSA-N 0 3 316.445 2.388 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCCOCC=C)CC(C)(C)C1 ZINC001264751797 1144606678 /nfs/dbraw/zinc/60/66/78/1144606678.db2.gz OLRULZCSWDLTGA-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2cnn(C)c2)C1 ZINC001265132435 1144651180 /nfs/dbraw/zinc/65/11/80/1144651180.db2.gz FXUIQUBZOKVSOE-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@H](C)n2cccc2)C1 ZINC001265230705 1144672953 /nfs/dbraw/zinc/67/29/53/1144672953.db2.gz KKHNXVYGPCVTIO-DLBZAZTESA-N 0 3 319.449 2.222 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN1CCN(CC[C@@H](C)F)CC1 ZINC001265263282 1144677868 /nfs/dbraw/zinc/67/78/68/1144677868.db2.gz ZOLVHTFAKVHMBD-NVXWUHKLSA-N 0 3 313.461 2.071 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001265321500 1144693678 /nfs/dbraw/zinc/69/36/78/1144693678.db2.gz LKBWHDXFYFJMGI-HNNXBMFYSA-N 0 3 321.469 2.381 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001265336111 1144695712 /nfs/dbraw/zinc/69/57/12/1144695712.db2.gz QNAWZPLEUDDZOZ-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2conc2C)CC1 ZINC001265339952 1144696277 /nfs/dbraw/zinc/69/62/77/1144696277.db2.gz CYYSQBPCRLZNAY-UHFFFAOYSA-N 0 3 303.406 2.323 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccc(OC)nc2)C1 ZINC001265432463 1144703777 /nfs/dbraw/zinc/70/37/77/1144703777.db2.gz NQKFHNJKFCOGOU-HNNXBMFYSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC001265431022 1144703870 /nfs/dbraw/zinc/70/38/70/1144703870.db2.gz QUBXSMJJTMQVRZ-VIFPVBQESA-N 0 3 314.282 2.070 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2ccnc(OC)c2)C1 ZINC001265443053 1144704336 /nfs/dbraw/zinc/70/43/36/1144704336.db2.gz OCMRLTFRNXRVTF-ZBFHGGJFSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2ncccc2C)C1 ZINC001265531758 1144709815 /nfs/dbraw/zinc/70/98/15/1144709815.db2.gz UXEUBANEJPAIQH-HRCADAONSA-N 0 3 317.433 2.108 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001265553047 1144711576 /nfs/dbraw/zinc/71/15/76/1144711576.db2.gz FOUPLCHGMGHXOQ-KDURUIRLSA-N 0 3 308.425 2.469 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCc2ccc(C)s2)C1 ZINC001265597404 1144716398 /nfs/dbraw/zinc/71/63/98/1144716398.db2.gz XOZLQXAZCOPWIB-HNNXBMFYSA-N 0 3 304.459 2.451 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001265658448 1144724181 /nfs/dbraw/zinc/72/41/81/1144724181.db2.gz ZBHLROIQDDMIMF-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cc2sccc2s1 ZINC001265789917 1144741070 /nfs/dbraw/zinc/74/10/70/1144741070.db2.gz BAIFUAOLCKCURJ-LLVKDONJSA-N 0 3 322.455 2.321 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)NCc1scnc1C ZINC001265838509 1144746183 /nfs/dbraw/zinc/74/61/83/1144746183.db2.gz LDBRLIMJQMESKH-WHOFXGATSA-N 0 3 323.462 2.027 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc2scnc21 ZINC001265845944 1144747268 /nfs/dbraw/zinc/74/72/68/1144747268.db2.gz VMQPNCUBOWKFQV-UHFFFAOYSA-N 0 3 301.415 2.371 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(OCC(C)C)cc1 ZINC001265859068 1144748228 /nfs/dbraw/zinc/74/82/28/1144748228.db2.gz UGRXSMFXNYIRKS-HNNXBMFYSA-N 0 3 302.418 2.453 20 30 DEEDHN Cc1ncccc1CN[C@@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001265867479 1144749166 /nfs/dbraw/zinc/74/91/66/1144749166.db2.gz RORLQXZKGXHULZ-INIZCTEOSA-N 0 3 321.424 2.426 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C(C)(C)c1ccccc1 ZINC001265968734 1144772683 /nfs/dbraw/zinc/77/26/83/1144772683.db2.gz LGKLFYDKUPPJFN-UHFFFAOYSA-N 0 3 316.445 2.052 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001266102298 1144805705 /nfs/dbraw/zinc/80/57/05/1144805705.db2.gz HKMJUBBUTWORFD-IAGOWNOFSA-N 0 3 316.449 2.026 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](N(C)CC#CC)C1 ZINC001266107554 1144806014 /nfs/dbraw/zinc/80/60/14/1144806014.db2.gz FQMVXOYELYHVMP-FUHWJXTLSA-N 0 3 306.450 2.161 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccnn1[C@@H](C)CC)C1CC1 ZINC001266141903 1144809212 /nfs/dbraw/zinc/80/92/12/1144809212.db2.gz ZIIRFLDFHUSKAK-AWEZNQCLSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001266193242 1144812805 /nfs/dbraw/zinc/81/28/05/1144812805.db2.gz HESNTCXRLKKXDY-IRXDYDNUSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCC[C@H](C)O)C2)CCC1 ZINC001266237240 1144817511 /nfs/dbraw/zinc/81/75/11/1144817511.db2.gz RRWDMNSYUQUBMM-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN COCC#CCNCCN(Cc1ccccc1)C(=O)C=C(C)C ZINC001279296975 1144820330 /nfs/dbraw/zinc/82/03/30/1144820330.db2.gz AUBVTBWJUVLABV-UHFFFAOYSA-N 0 3 314.429 2.221 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccc(C)n1C ZINC001279297806 1144820400 /nfs/dbraw/zinc/82/04/00/1144820400.db2.gz OOVZMHIUFVLPJL-UHFFFAOYSA-N 0 3 309.413 2.199 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)CC(C)(C)COC)CC2)CC1 ZINC001279360645 1144821224 /nfs/dbraw/zinc/82/12/24/1144821224.db2.gz UDEMYVXLOLJENZ-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccc(CC)cc2)C1 ZINC001279528719 1144823783 /nfs/dbraw/zinc/82/37/83/1144823783.db2.gz DUGOCGSIUIHYCY-IBGZPJMESA-N 0 3 316.445 2.382 20 30 DEEDHN C=C(Br)CNCC[C@H]1CCN(C(=O)C2CC2)C1 ZINC001279928367 1144829314 /nfs/dbraw/zinc/82/93/14/1144829314.db2.gz DGBHFFAYYIHVPZ-NSHDSACASA-N 0 3 301.228 2.133 20 30 DEEDHN CCc1nc(C)c(CNCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001279999657 1144830736 /nfs/dbraw/zinc/83/07/36/1144830736.db2.gz OMDBVIXTKYHBMU-TZMCWYRMSA-N 0 3 318.421 2.033 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc2c(c1)COC2 ZINC001316602764 1144835576 /nfs/dbraw/zinc/83/55/76/1144835576.db2.gz BAUAOUHDIJUSER-SFHVURJKSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001280438883 1144839701 /nfs/dbraw/zinc/83/97/01/1144839701.db2.gz BNTPVMCTNSMUOI-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2c(C)cccc2C)CCC1 ZINC001280508158 1144843135 /nfs/dbraw/zinc/84/31/35/1144843135.db2.gz UPWKTPTVDCQKNK-UHFFFAOYSA-N 0 3 314.429 2.195 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC#CC)CC2)CCOCC1 ZINC001280768771 1144854148 /nfs/dbraw/zinc/85/41/48/1144854148.db2.gz BTWFEBFOAJOEPN-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001281169751 1144875810 /nfs/dbraw/zinc/87/58/10/1144875810.db2.gz YQUWNYPZJWXQHX-LPHOPBHVSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCn2cccn2)CC1(C)C ZINC001281551919 1144896558 /nfs/dbraw/zinc/89/65/58/1144896558.db2.gz FVXQMJGXALACGZ-OAHLLOKOSA-N 0 3 318.465 2.312 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2ccncc2)C(C)(C)C1 ZINC001281556706 1144896967 /nfs/dbraw/zinc/89/69/67/1144896967.db2.gz LKGQJCFPCVXSKE-INIZCTEOSA-N 0 3 301.434 2.417 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001281588350 1144898829 /nfs/dbraw/zinc/89/88/29/1144898829.db2.gz KIGRNDUIBNUVEW-SJLPKXTDSA-N 0 3 319.493 2.217 20 30 DEEDHN C=CCCOCC(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC001281782498 1144913636 /nfs/dbraw/zinc/91/36/36/1144913636.db2.gz LOHKTWFZIIEHIX-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001282094266 1144972282 /nfs/dbraw/zinc/97/22/82/1144972282.db2.gz CKCNDJZFPRGFRS-NWDGAFQWSA-N 0 3 318.421 2.009 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(CC)CCCCC1 ZINC001282241507 1145021612 /nfs/dbraw/zinc/02/16/12/1145021612.db2.gz MIYJWWFDBWKCGN-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(CCCOc2ccccc2)C1 ZINC001282700103 1145130665 /nfs/dbraw/zinc/13/06/65/1145130665.db2.gz GDBFTGMGRLOGQA-LSDHHAIUSA-N 0 3 315.417 2.052 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CC)CCOCC2)C(C)(C)C1 ZINC001282831287 1145173233 /nfs/dbraw/zinc/17/32/33/1145173233.db2.gz DNKWNFJARSFEEO-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC1(C2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)OCCO1 ZINC001364360207 1145194491 /nfs/dbraw/zinc/19/44/91/1145194491.db2.gz YOZJGTBJPSLFAE-QGZVFWFLSA-N 0 3 316.401 2.067 20 30 DEEDHN C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001283189955 1145309180 /nfs/dbraw/zinc/30/91/80/1145309180.db2.gz BRSNFRKCRAZBQG-LBPRGKRZSA-N 0 3 318.421 2.124 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001283463252 1145446424 /nfs/dbraw/zinc/44/64/24/1145446424.db2.gz BITFZBGWFKCQAZ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1ocnc1C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283570642 1145525945 /nfs/dbraw/zinc/52/59/45/1145525945.db2.gz KPKFGRKTUDMNKD-CQSZACIVSA-N 0 3 311.385 2.085 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001283689340 1145586619 /nfs/dbraw/zinc/58/66/19/1145586619.db2.gz AHABNFABRDSZJX-QEJZJMRPSA-N 0 3 323.462 2.061 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccoc1C(C)C ZINC001283720285 1145616648 /nfs/dbraw/zinc/61/66/48/1145616648.db2.gz BGYNYEAMMFZWBQ-CQSZACIVSA-N 0 3 306.406 2.103 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccc[nH]1 ZINC001283939100 1145718098 /nfs/dbraw/zinc/71/80/98/1145718098.db2.gz LQTBGBMVNWTHJX-VQIMIIECSA-N 0 3 321.424 2.188 20 30 DEEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)c1cccnc1 ZINC001283945403 1145721168 /nfs/dbraw/zinc/72/11/68/1145721168.db2.gz IDVSFNGHOJWEST-VQIMIIECSA-N 0 3 319.408 2.326 20 30 DEEDHN Cc1ccc(CN[C@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)c(C)n1 ZINC001283981323 1145735323 /nfs/dbraw/zinc/73/53/23/1145735323.db2.gz DYYDHJUWTXJSKZ-YJBOKZPZSA-N 0 3 313.445 2.437 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@H]1C ZINC001284001500 1145744951 /nfs/dbraw/zinc/74/49/51/1145744951.db2.gz QWXMWLHOURGZJB-WBVHZDCISA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NCC(=O)NC(C)(C)CC)C[C@@H]1C ZINC001284004590 1145746947 /nfs/dbraw/zinc/74/69/47/1145746947.db2.gz TULPGOVCSREYJD-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001284010978 1145750159 /nfs/dbraw/zinc/75/01/59/1145750159.db2.gz WEUHGIKBDRLENX-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC001284104851 1145800081 /nfs/dbraw/zinc/80/00/81/1145800081.db2.gz ZMWXIIFAAVKPRM-CVEARBPZSA-N 0 3 317.433 2.175 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CN(C)CCCCCC)[C@H]1C ZINC001284130214 1145804592 /nfs/dbraw/zinc/80/45/92/1145804592.db2.gz GUCRGMQPMLTMDS-SJORKVTESA-N 0 3 307.482 2.101 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001284282438 1145830535 /nfs/dbraw/zinc/83/05/35/1145830535.db2.gz JBFOFTRTTIRBAV-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC001284308680 1145834486 /nfs/dbraw/zinc/83/44/86/1145834486.db2.gz CRYZPOVRSFTOBH-CJNGLKHVSA-N 0 3 300.418 2.011 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001284321797 1145836591 /nfs/dbraw/zinc/83/65/91/1145836591.db2.gz UWWRBPMOMKYZQN-KSSFIOAISA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1cnn2ccccc12)C(C)C ZINC001284538595 1145868961 /nfs/dbraw/zinc/86/89/61/1145868961.db2.gz WOMDFFHIJZCQSO-UHFFFAOYSA-N 0 3 314.433 2.232 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001284868165 1145948136 /nfs/dbraw/zinc/94/81/36/1145948136.db2.gz WPLQEKWHKKHCDT-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCCC(=O)NCC1=CCN(C[C@@H]2CC(C)(C)CO2)CC1 ZINC001284908568 1145967703 /nfs/dbraw/zinc/96/77/03/1145967703.db2.gz HFBDIHHZPZILJZ-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001287702000 1146715111 /nfs/dbraw/zinc/71/51/11/1146715111.db2.gz VHFXAHBYIPQOEG-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001290627768 1146839906 /nfs/dbraw/zinc/83/99/06/1146839906.db2.gz AJVDOWBOJKPANL-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1cc[nH]n1 ZINC001365930720 1146918940 /nfs/dbraw/zinc/91/89/40/1146918940.db2.gz ZOTXTQSULGERLE-OCCSQVGLSA-N 0 3 310.829 2.064 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2CCC(OC)CC2)C1 ZINC001491941685 1147010010 /nfs/dbraw/zinc/01/00/10/1147010010.db2.gz DHAAVXSFSYPTQH-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)C2CC2)C2CC2)c(F)c1 ZINC001366022211 1147013303 /nfs/dbraw/zinc/01/33/03/1147013303.db2.gz OMKYZIPRZJDRFH-MRXNPFEDSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001366109289 1147059186 /nfs/dbraw/zinc/05/91/86/1147059186.db2.gz LPNRZNPHBDUNSW-LYIQGSDWSA-N 0 3 307.344 2.422 20 30 DEEDHN CN(CCNC(=O)C#CC(C)(C)C)CCOCc1ccccc1 ZINC001492248708 1147185489 /nfs/dbraw/zinc/18/54/89/1147185489.db2.gz YCYSLXVQTUWEDR-UHFFFAOYSA-N 0 3 316.445 2.301 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001492251373 1147185917 /nfs/dbraw/zinc/18/59/17/1147185917.db2.gz JWRRCTSKEQHWOO-HNNXBMFYSA-N 0 3 314.429 2.150 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001492253539 1147187025 /nfs/dbraw/zinc/18/70/25/1147187025.db2.gz WCSRAQCQMHEIGT-ZDUSSCGKSA-N 0 3 309.435 2.232 20 30 DEEDHN C[C@H](CNC(=O)[C@H](C)C(F)(F)F)NCc1ccc(C#N)s1 ZINC001366313254 1147205989 /nfs/dbraw/zinc/20/59/89/1147205989.db2.gz CAIQSHPKTZMJGX-BDAKNGLRSA-N 0 3 319.352 2.412 20 30 DEEDHN C[C@H](CCNC(=O)Cc1ccoc1)NCc1ccccc1C#N ZINC001366460744 1147294098 /nfs/dbraw/zinc/29/40/98/1147294098.db2.gz YRSKJSNXPXPLTM-CQSZACIVSA-N 0 3 311.385 2.378 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001366474834 1147300069 /nfs/dbraw/zinc/30/00/69/1147300069.db2.gz VRVPAEXDYICWQO-LBPRGKRZSA-N 0 3 320.824 2.342 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001366483228 1147303948 /nfs/dbraw/zinc/30/39/48/1147303948.db2.gz CVGAZAJBZLPRJI-AEGPPILISA-N 0 3 307.825 2.422 20 30 DEEDHN CCOCCOC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC001307415818 1147426572 /nfs/dbraw/zinc/42/65/72/1147426572.db2.gz PXRAZAQOVCECGL-UHFFFAOYSA-N 0 3 318.417 2.455 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001317499425 1147532831 /nfs/dbraw/zinc/53/28/31/1147532831.db2.gz NDZDQFNEVSIHCH-RDJZCZTQSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1ocnc1C ZINC001316802756 1147579825 /nfs/dbraw/zinc/57/98/25/1147579825.db2.gz FMPGVFVVYFJGRV-HNNXBMFYSA-N 0 3 321.421 2.112 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](F)Cc2ccccc2)[C@H]1C ZINC001316798880 1147601345 /nfs/dbraw/zinc/60/13/45/1147601345.db2.gz FNZFXPQLTGOUPD-OIISXLGYSA-N 0 3 302.393 2.170 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c(F)ccc(F)c1OC ZINC001316840947 1147612799 /nfs/dbraw/zinc/61/27/99/1147612799.db2.gz XGKMQZXHNZIYFD-UHFFFAOYSA-N 0 3 310.344 2.048 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc2nccnc2c1)C1CC1 ZINC001316927663 1147633282 /nfs/dbraw/zinc/63/32/82/1147633282.db2.gz YXPGXOYDSHDEIY-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccn1 ZINC001317043274 1147652074 /nfs/dbraw/zinc/65/20/74/1147652074.db2.gz LSUKEXJLONBSSU-VVLHAWIVSA-N 0 3 316.449 2.474 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnoc1 ZINC001317050621 1147653339 /nfs/dbraw/zinc/65/33/39/1147653339.db2.gz KBXGJVSVMFIEDJ-CWRNSKLLSA-N 0 3 303.406 2.247 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2cccc(OC)c2)C1 ZINC001317069144 1147655923 /nfs/dbraw/zinc/65/59/23/1147655923.db2.gz GCLFWABKCNYTCA-WBVHZDCISA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001317069166 1147655968 /nfs/dbraw/zinc/65/59/68/1147655968.db2.gz KECCVSITBXOHOS-INIZCTEOSA-N 0 3 306.381 2.109 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001317078411 1147657159 /nfs/dbraw/zinc/65/71/59/1147657159.db2.gz QGKQJJWGLFYSBF-JHJVBQTASA-N 0 3 305.426 2.021 20 30 DEEDHN Cc1cnc([C@@H](C)N[C@H]2C[C@@H](NC(=O)C#CC(C)(C)C)C2)cn1 ZINC001317110775 1147660651 /nfs/dbraw/zinc/66/06/51/1147660651.db2.gz WZGPOTFUOWGGBC-KFWWJZLASA-N 0 3 314.433 2.132 20 30 DEEDHN C=CCC1(C(=O)N2CCCC[C@@H]2CNCCF)CCOCC1 ZINC001317197379 1147674714 /nfs/dbraw/zinc/67/47/14/1147674714.db2.gz TYYVAVBFWTYQAJ-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C2(COC)CC2)CCCC1 ZINC001367321708 1147677994 /nfs/dbraw/zinc/67/79/94/1147677994.db2.gz JRAADCMTXDJLMR-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cnc(C)nc2)CCC1 ZINC001317262947 1147683988 /nfs/dbraw/zinc/68/39/88/1147683988.db2.gz BOVMXEYWROZJKU-CYBMUJFWSA-N 0 3 302.422 2.126 20 30 DEEDHN CCCc1ccc(C(=O)N2CC[C@H](NCC#CCOC)C2)s1 ZINC001317299565 1147687562 /nfs/dbraw/zinc/68/75/62/1147687562.db2.gz IZWCYHWUKKQRDO-AWEZNQCLSA-N 0 3 320.458 2.155 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H](C)n1ccnc1)C(C)C ZINC001367481866 1147700545 /nfs/dbraw/zinc/70/05/45/1147700545.db2.gz LEBDWPGKFHMNSF-KBPBESRZSA-N 0 3 312.845 2.317 20 30 DEEDHN Cc1cccc([C@H](C)N(C)CCNC(=O)CSCC#N)c1 ZINC001317438824 1147708501 /nfs/dbraw/zinc/70/85/01/1147708501.db2.gz JPHGXZISEOQRLS-AWEZNQCLSA-N 0 3 305.447 2.361 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1ccc(OC)c(C)c1 ZINC001317500627 1147716078 /nfs/dbraw/zinc/71/60/78/1147716078.db2.gz ASOOFSBJNLQRJI-OAHLLOKOSA-N 0 3 318.417 2.149 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001317506713 1147717521 /nfs/dbraw/zinc/71/75/21/1147717521.db2.gz DBQVJGWQWZTVPH-INIZCTEOSA-N 0 3 319.449 2.213 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001317517030 1147718861 /nfs/dbraw/zinc/71/88/61/1147718861.db2.gz QPQJKCYFPPRNNP-IAGOWNOFSA-N 0 3 302.393 2.171 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001317521192 1147719283 /nfs/dbraw/zinc/71/92/83/1147719283.db2.gz VQASOZILJGHKGB-KRWDZBQOSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cn1cc(C)c2ccccc21 ZINC001317544815 1147722803 /nfs/dbraw/zinc/72/28/03/1147722803.db2.gz SDODNSQPOQIOOE-UHFFFAOYSA-N 0 3 311.429 2.411 20 30 DEEDHN Cc1cc(C)c(C(=O)N(C)CCNCc2ccc(C#N)s2)[nH]1 ZINC001317599880 1147731326 /nfs/dbraw/zinc/73/13/26/1147731326.db2.gz CBEYJIZIBYHWAG-UHFFFAOYSA-N 0 3 316.430 2.427 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCNCc2ccnc(N(C)C)c2)C1 ZINC001317632190 1147735858 /nfs/dbraw/zinc/73/58/58/1147735858.db2.gz FWMRGRZFYRKJSI-UHFFFAOYSA-N 0 3 316.449 2.052 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)c1ncoc1C1CC1 ZINC001317650825 1147738974 /nfs/dbraw/zinc/73/89/74/1147738974.db2.gz UJTNBXFPMCRBSB-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccc2ccccc2c1 ZINC001317653644 1147739381 /nfs/dbraw/zinc/73/93/81/1147739381.db2.gz FRUHOFPUCWFDIP-UHFFFAOYSA-N 0 3 310.397 2.151 20 30 DEEDHN C#CCN[C@@H](CNC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001317723588 1147747293 /nfs/dbraw/zinc/74/72/93/1147747293.db2.gz HPODGSLLWMBWPJ-KRWDZBQOSA-N 0 3 315.461 2.045 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)Cc2cnc(C)o2)C1 ZINC001317760046 1147749818 /nfs/dbraw/zinc/74/98/18/1147749818.db2.gz XOOMPMIQHZUBTG-OAHLLOKOSA-N 0 3 305.422 2.415 20 30 DEEDHN CCCC[C@@H](C)C(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001317782047 1147751716 /nfs/dbraw/zinc/75/17/16/1147751716.db2.gz LPJXGGQNAKWQMJ-SJORKVTESA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](CN(C)Cc2ocnc2C)C1 ZINC001317847706 1147757559 /nfs/dbraw/zinc/75/75/59/1147757559.db2.gz GQKPSRMAPLPFCI-MRXNPFEDSA-N 0 3 317.433 2.457 20 30 DEEDHN C=CCCCC(=O)NCC1CN(C[C@H](O)C2CCCCC2)C1 ZINC001318147959 1147785000 /nfs/dbraw/zinc/78/50/00/1147785000.db2.gz AWTZOANCYHLHEO-KRWDZBQOSA-N 0 3 308.466 2.332 20 30 DEEDHN CC(C)C[C@H](C)CN1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001367939535 1147793226 /nfs/dbraw/zinc/79/32/26/1147793226.db2.gz UUPRVMBAWBOSNP-ZFWWWQNUSA-N 0 3 302.422 2.373 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnn21 ZINC001318220141 1147800601 /nfs/dbraw/zinc/80/06/01/1147800601.db2.gz RAADGFWCXWDJQG-HOTGVXAUSA-N 0 3 310.401 2.199 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001318376379 1147816889 /nfs/dbraw/zinc/81/68/89/1147816889.db2.gz GHPFFDIQGZQEDG-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001318370800 1147816937 /nfs/dbraw/zinc/81/69/37/1147816937.db2.gz JDLHACNLSDYQHL-HZPDHXFCSA-N 0 3 304.438 2.218 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2c(C)noc2C)C1 ZINC001324670982 1147828915 /nfs/dbraw/zinc/82/89/15/1147828915.db2.gz BFWOSGOIHPRDPW-QGZVFWFLSA-N 0 3 305.422 2.381 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(COC)CCCC2)C1 ZINC001324944399 1147861190 /nfs/dbraw/zinc/86/11/90/1147861190.db2.gz QSCFSRPPOODWJV-SFHVURJKSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@]1(C)CCCN(CC#CC)C1 ZINC001324948628 1147861271 /nfs/dbraw/zinc/86/12/71/1147861271.db2.gz TVVFKZYXHJCAIR-RTBURBONSA-N 0 3 320.477 2.457 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cc(CCC)n[nH]1 ZINC001325694095 1147984792 /nfs/dbraw/zinc/98/47/92/1147984792.db2.gz PXFYCPCXLZXFJD-UHFFFAOYSA-N 0 3 324.428 2.227 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)NCC(C)C ZINC001326691361 1148204934 /nfs/dbraw/zinc/20/49/34/1148204934.db2.gz OHTWAELXCSURAT-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCCC[C@@H]2C)CCC1 ZINC001326875565 1148277818 /nfs/dbraw/zinc/27/78/18/1148277818.db2.gz NLBNONFDTAOUKM-HOTGVXAUSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2ccccc2F)CCC1 ZINC001326924315 1148291691 /nfs/dbraw/zinc/29/16/91/1148291691.db2.gz HUCUBKPJSZKLTK-UHFFFAOYSA-N 0 3 302.393 2.410 20 30 DEEDHN CCCC(C)(C)C(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001327144911 1148335288 /nfs/dbraw/zinc/33/52/88/1148335288.db2.gz APGCASZDHXWUEV-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001327146465 1148336625 /nfs/dbraw/zinc/33/66/25/1148336625.db2.gz IYVINTGTAMYOKV-AEFFLSMTSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1conc1C1CCCC1 ZINC001327212799 1148348498 /nfs/dbraw/zinc/34/84/98/1148348498.db2.gz IQCCKRHGNZQWGM-UHFFFAOYSA-N 0 3 303.406 2.359 20 30 DEEDHN N#Cc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)c[nH]1 ZINC000181258221 199272167 /nfs/dbraw/zinc/27/21/67/199272167.db2.gz XKWJDHUSBKBKMZ-UHFFFAOYSA-N 0 3 300.406 2.224 20 30 DEEDHN C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)C1=CCN(C)CC1 ZINC000272858480 210253352 /nfs/dbraw/zinc/25/33/52/210253352.db2.gz IAWGHJCKNIGFRF-CQSZACIVSA-N 0 3 324.428 2.497 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)c2ccc(C#N)cc2)CC1 ZINC000081996824 192352712 /nfs/dbraw/zinc/35/27/12/192352712.db2.gz JJFCXCGXNBLMMJ-UHFFFAOYSA-N 0 3 315.417 2.177 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCC#Cc1cccc(F)c1 ZINC000338728450 529948413 /nfs/dbraw/zinc/94/84/13/529948413.db2.gz KZECEBXGUUCCOB-MRXNPFEDSA-N 0 3 317.408 2.160 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000614675465 362434720 /nfs/dbraw/zinc/43/47/20/362434720.db2.gz XZBXGGKPPAWLCH-GJZGRUSLSA-N 0 3 310.825 2.386 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(C#N)c2)[C@]12CCCO2 ZINC000272660210 210064504 /nfs/dbraw/zinc/06/45/04/210064504.db2.gz HSXXZEZPUSJHHV-RCCFBDPRSA-N 0 3 316.401 2.383 20 30 DEEDHN C#CCCCCn1c(CC)nnc1N1CCN(CC(C)C)CC1 ZINC001300366492 1151844401 /nfs/dbraw/zinc/84/44/01/1151844401.db2.gz KMKOFCLFVFEQAW-UHFFFAOYSA-N 0 3 317.481 2.422 20 30 DEEDHN CC(C)[C@H](NCc1ccc(C#N)c(F)c1)C(=O)N1CCCC1 ZINC000616771641 362932440 /nfs/dbraw/zinc/93/24/40/362932440.db2.gz UYMNYJGAGUMODO-INIZCTEOSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1Cc1ccccc1 ZINC000152594341 186088155 /nfs/dbraw/zinc/08/81/55/186088155.db2.gz MIGBZQSDXFYRBI-CZUORRHYSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H](C2CC2)C1=O)C(C)C ZINC000277253642 213398188 /nfs/dbraw/zinc/39/81/88/213398188.db2.gz IETLJPLHRADMIE-GJZGRUSLSA-N 0 3 305.422 2.015 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000172120181 198042461 /nfs/dbraw/zinc/04/24/61/198042461.db2.gz MQGRMWTZFGDFHJ-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)CN(CCC)C1=O)C(C)C ZINC000277212122 213371612 /nfs/dbraw/zinc/37/16/12/213371612.db2.gz FJUZFMKDNNRRNQ-HNNXBMFYSA-N 0 3 307.438 2.359 20 30 DEEDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)N1CCCC1 ZINC000328695847 539910062 /nfs/dbraw/zinc/91/00/62/539910062.db2.gz DCMWLWIBJNDPBS-ZFWWWQNUSA-N 0 3 307.438 2.361 20 30 DEEDHN Cc1ncc2n1CC[C@@H](C(=O)NC1CCN(C3CC3)CC1)C2 ZINC000329855657 539930965 /nfs/dbraw/zinc/93/09/65/539930965.db2.gz UFFAYGQXPGPQCY-CYBMUJFWSA-N 0 3 302.422 2.337 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ncc(CC)s2)CC1 ZINC000173195921 198194377 /nfs/dbraw/zinc/19/43/77/198194377.db2.gz KTVUKWKUAKKXKW-UHFFFAOYSA-N 0 3 308.451 2.155 20 30 DEEDHN CCN1CC[C@@H](Nc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000334132700 539976163 /nfs/dbraw/zinc/97/61/63/539976163.db2.gz VSGIDWXWDBPGKW-CQSZACIVSA-N 0 3 323.444 2.990 20 30 DEEDHN N#Cc1ccc(CNC[C@H](c2ccccc2)N2CCOCC2)o1 ZINC000174253966 198311134 /nfs/dbraw/zinc/31/11/34/198311134.db2.gz WXWICPBFMCAPSQ-GOSISDBHSA-N 0 3 311.385 2.314 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000042748755 354204248 /nfs/dbraw/zinc/20/42/48/354204248.db2.gz SJORAJCZDGQCNR-HNNXBMFYSA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000045030125 354247004 /nfs/dbraw/zinc/24/70/04/354247004.db2.gz VDMUVHQBGZWXSG-OAHLLOKOSA-N 0 3 320.393 2.351 20 30 DEEDHN CCCNC(=O)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000051402397 354383668 /nfs/dbraw/zinc/38/36/68/354383668.db2.gz DKXVUUAWASRCHI-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2nc3ccccc3s2)CC1 ZINC000050024816 354366269 /nfs/dbraw/zinc/36/62/69/354366269.db2.gz SAQDCJSMQZOMQU-UHFFFAOYSA-N 0 3 313.426 2.258 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000050028992 354366506 /nfs/dbraw/zinc/36/65/06/354366506.db2.gz WEZSNJGDVOFZJL-ZDUSSCGKSA-N 0 3 310.401 2.085 20 30 DEEDHN C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)N(C)C1CC1 ZINC000057708413 354577648 /nfs/dbraw/zinc/57/76/48/354577648.db2.gz AUFFVQUPMQTXIG-ZDUSSCGKSA-N 0 3 317.458 2.390 20 30 DEEDHN C[C@H](CNC(=O)NCc1cccc(C#N)c1)N1CCC[C@@H](C)C1 ZINC000061915126 354632829 /nfs/dbraw/zinc/63/28/29/354632829.db2.gz QQRRSJPXLYSDPI-HUUCEWRRSA-N 0 3 314.433 2.478 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=S)NC1CCN(C)CC1 ZINC000065704793 354687811 /nfs/dbraw/zinc/68/78/11/354687811.db2.gz IFCKKNSGELHRSL-UHFFFAOYSA-N 0 3 319.449 2.230 20 30 DEEDHN N#CC1(CCCN2CCC[C@@H]2[C@H](O)C(F)(F)F)CCOCC1 ZINC000330373012 283044329 /nfs/dbraw/zinc/04/43/29/283044329.db2.gz AUVJYHXSFIGZTB-OLZOCXBDSA-N 0 3 320.355 2.475 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000066945548 354740754 /nfs/dbraw/zinc/74/07/54/354740754.db2.gz MXDCIHZDOXXXHS-MRXNPFEDSA-N 0 3 313.401 2.024 20 30 DEEDHN CC(C)N1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000068800871 354834260 /nfs/dbraw/zinc/83/42/60/354834260.db2.gz GJVVAIFENMJTPN-OAHLLOKOSA-N 0 3 315.417 2.268 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000274180942 283056389 /nfs/dbraw/zinc/05/63/89/283056389.db2.gz FOOZYMJSQDJQLR-INMHGKMJSA-N 0 3 312.417 2.245 20 30 DEEDHN NC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000401754133 540142706 /nfs/dbraw/zinc/14/27/06/540142706.db2.gz PXEJMNHFRIHRBV-MRVPVSSYSA-N 0 3 318.192 2.464 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595596572 358496246 /nfs/dbraw/zinc/49/62/46/358496246.db2.gz OYHGYSHOMHWXAT-CABCVRRESA-N 0 3 306.454 2.442 20 30 DEEDHN Cc1ncc(CNC2CCN(CC#N)CC2)n1-c1ccccc1 ZINC000084023003 355472667 /nfs/dbraw/zinc/47/26/67/355472667.db2.gz VBPQLDDQOKOQRS-UHFFFAOYSA-N 0 3 309.417 2.258 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000182808693 356147019 /nfs/dbraw/zinc/14/70/19/356147019.db2.gz AKIIPDHTRLNLHP-JKSUJKDBSA-N 0 3 314.433 2.452 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000193807626 356230448 /nfs/dbraw/zinc/23/04/48/356230448.db2.gz AVEFBDDCJJRJPY-KRWDZBQOSA-N 0 3 320.396 2.205 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CC2)cc1 ZINC000287382760 356372766 /nfs/dbraw/zinc/37/27/66/356372766.db2.gz RPRBXJJNPVCNCM-NSHDSACASA-N 0 3 321.402 2.294 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CO)CC1 ZINC000293193785 356388603 /nfs/dbraw/zinc/38/86/03/356388603.db2.gz QIJHKRZETJMQNS-CQSZACIVSA-N 0 3 304.390 2.040 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000404700093 283165016 /nfs/dbraw/zinc/16/50/16/283165016.db2.gz DOHVUNTVPPCRPL-AWEZNQCLSA-N 0 3 322.355 2.419 20 30 DEEDHN CCN(Cc1ccncc1)C[C@@H](O)COc1ccccc1C#N ZINC000321415081 356449694 /nfs/dbraw/zinc/44/96/94/356449694.db2.gz BVPGZIMYWWURJF-QGZVFWFLSA-N 0 3 311.385 2.215 20 30 DEEDHN C=CCNC(=O)c1cccc(-c2noc([C@H]3CCN(C)C3)n2)c1 ZINC000350028994 356500610 /nfs/dbraw/zinc/50/06/10/356500610.db2.gz RLEINVWPVWPJDE-AWEZNQCLSA-N 0 3 312.373 2.072 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nccs1 ZINC000618388819 363479686 /nfs/dbraw/zinc/47/96/86/363479686.db2.gz OHNNGUGNONRSKJ-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN Cc1nccn1CCCN1CCN(c2ccsc2C#N)CC1 ZINC000595629969 358506883 /nfs/dbraw/zinc/50/68/83/358506883.db2.gz BPKDCYQTCWUYND-UHFFFAOYSA-N 0 3 315.446 2.337 20 30 DEEDHN CN(c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1)S(C)(=O)=O ZINC000618568008 363529591 /nfs/dbraw/zinc/52/95/91/363529591.db2.gz IFDITCILMIUHLU-LSDHHAIUSA-N 0 3 321.446 2.254 20 30 DEEDHN CC1(C)CN(CCC(=O)Nc2ccccc2C#N)[C@@H]2COC[C@@H]21 ZINC000384816466 356684685 /nfs/dbraw/zinc/68/46/85/356684685.db2.gz LPCOVKCFEWSEDY-GOEBONIOSA-N 0 3 313.401 2.244 20 30 DEEDHN C=CCN(CCC(=O)Nc1sccc1C#N)[C@H](C)COC ZINC000595646890 358511671 /nfs/dbraw/zinc/51/16/71/358511671.db2.gz MBJRUDVPDJUEIF-GFCCVEGCSA-N 0 3 307.419 2.471 20 30 DEEDHN C[C@]1(NC(=O)CSCC#N)CCN(Cc2ccccc2)C1 ZINC000578512970 356829217 /nfs/dbraw/zinc/82/92/17/356829217.db2.gz GNALJAYVVLTSKN-INIZCTEOSA-N 0 3 303.431 2.024 20 30 DEEDHN CC[C@H](COC)NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000578766604 356869980 /nfs/dbraw/zinc/86/99/80/356869980.db2.gz BMAKAAWUIAXBQS-MRXNPFEDSA-N 0 3 313.405 2.373 20 30 DEEDHN CC(C)N(CCC#N)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000580811479 357083777 /nfs/dbraw/zinc/08/37/77/357083777.db2.gz XKXFEDQWBCFQPS-UHFFFAOYSA-N 0 3 309.435 2.061 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)[C@H]2C1 ZINC000581115292 357132912 /nfs/dbraw/zinc/13/29/12/357132912.db2.gz AGJYZNOYEPUVKY-YGRLFVJLSA-N 0 3 319.796 2.165 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cn2)CC1 ZINC000581188691 357145034 /nfs/dbraw/zinc/14/50/34/357145034.db2.gz WFWPWECJQOLWQA-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN C[C@@H]1CCSCCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000585816805 357361384 /nfs/dbraw/zinc/36/13/84/357361384.db2.gz VMPYSYZMSLJIDP-GDBMZVCRSA-N 0 3 320.458 2.320 20 30 DEEDHN C[C@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCC1(F)F ZINC000589276238 357460806 /nfs/dbraw/zinc/46/08/06/357460806.db2.gz OEQMBGNTOHBXEF-DZGCQCFKSA-N 0 3 324.371 2.469 20 30 DEEDHN C[C@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCC1(F)F ZINC000589276241 357460916 /nfs/dbraw/zinc/46/09/16/357460916.db2.gz OEQMBGNTOHBXEF-ZFWWWQNUSA-N 0 3 324.371 2.469 20 30 DEEDHN Cc1cc(C#N)ccc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000590210235 357526300 /nfs/dbraw/zinc/52/63/00/357526300.db2.gz FMTCSVRBEZCPHK-MSOLQXFVSA-N 0 3 300.402 2.276 20 30 DEEDHN Cc1occc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000591727837 357754562 /nfs/dbraw/zinc/75/45/62/357754562.db2.gz AEYGSXTUBOBOLX-MRXNPFEDSA-N 0 3 300.358 2.184 20 30 DEEDHN CCOC(=O)CC[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765790 357758755 /nfs/dbraw/zinc/75/87/55/357758755.db2.gz HXWRQCUURHGNCB-CYBMUJFWSA-N 0 3 310.781 2.005 20 30 DEEDHN N#Cc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nn1 ZINC000591829868 357766379 /nfs/dbraw/zinc/76/63/79/357766379.db2.gz IBZMCLVISDJXFW-DOTOQJQBSA-N 0 3 305.385 2.059 20 30 DEEDHN C[C@@H]1CC2(CN1CC(=O)NC1(C#N)CCCCC1)CCOCC2 ZINC000592182689 357847572 /nfs/dbraw/zinc/84/75/72/357847572.db2.gz OZCSSDIJNRWXJV-OAHLLOKOSA-N 0 3 319.449 2.220 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@]3(C)COC[C@]3(C)C2)CC1 ZINC000660597545 540310373 /nfs/dbraw/zinc/31/03/73/540310373.db2.gz QUDZPOWLSOVCHJ-HDICACEKSA-N 0 3 321.465 2.095 20 30 DEEDHN CCC(C#N)C(=O)N(CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000593754664 358138069 /nfs/dbraw/zinc/13/80/69/358138069.db2.gz XXODNUVPZFEAJA-ZDUSSCGKSA-N 0 3 324.421 2.276 20 30 DEEDHN N#CCC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000594284117 358239037 /nfs/dbraw/zinc/23/90/37/358239037.db2.gz SDQOLAYEOCILPY-HOTGVXAUSA-N 0 3 304.438 2.339 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594600501 358302760 /nfs/dbraw/zinc/30/27/60/358302760.db2.gz LQXNPNRJQYERLO-KBPBESRZSA-N 0 3 301.350 2.290 20 30 DEEDHN C=CCC[C@H](NC1CCN(C[C@@H]2CCCO2)CC1)C(=O)OCC ZINC000594610020 358305644 /nfs/dbraw/zinc/30/56/44/358305644.db2.gz RLBIOJBRVQCRAX-IRXDYDNUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000180642342 199189681 /nfs/dbraw/zinc/18/96/81/199189681.db2.gz SZQBSYFYXSPTGI-GXTWGEPZSA-N 0 3 304.390 2.189 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595787052 358549401 /nfs/dbraw/zinc/54/94/01/358549401.db2.gz SQHNKBPIXTYENX-HZPDHXFCSA-N 0 3 306.454 2.442 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595789812 358550449 /nfs/dbraw/zinc/55/04/49/358550449.db2.gz OQXHADSKMNOHGD-BRWVUGGUSA-N 0 3 321.465 2.276 20 30 DEEDHN CCc1ccc([C@H](CNC(=O)c2c[nH]c(C#N)c2)N(C)C)cc1 ZINC000181154869 199258129 /nfs/dbraw/zinc/25/81/29/199258129.db2.gz IPSUONWABGJRFB-KRWDZBQOSA-N 0 3 310.401 2.481 20 30 DEEDHN N#Cc1cc(NCC2CCN(Cc3ccncc3)CC2)ccn1 ZINC000596435972 358686567 /nfs/dbraw/zinc/68/65/67/358686567.db2.gz GGCBQNBQXGXXGO-UHFFFAOYSA-N 0 3 307.401 2.094 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618850106 363616713 /nfs/dbraw/zinc/61/67/13/363616713.db2.gz VGQRTHZFDJVTDL-WBVHZDCISA-N 0 3 312.417 2.281 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596651219 358733080 /nfs/dbraw/zinc/73/30/80/358733080.db2.gz CCEYXTPQUKEASK-MRXNPFEDSA-N 0 3 323.400 2.070 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)NCC3(C#N)CCCCC3)[C@H]2C1 ZINC000596868335 358779057 /nfs/dbraw/zinc/77/90/57/358779057.db2.gz KFEVJBHFUFQCIC-CABCVRRESA-N 0 3 304.438 2.196 20 30 DEEDHN CC(C#N)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000597840817 359019639 /nfs/dbraw/zinc/01/96/39/359019639.db2.gz BBZMYBMYJMYBBN-NOZJJQNGSA-N 0 3 300.280 2.189 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000598585840 359250685 /nfs/dbraw/zinc/25/06/85/359250685.db2.gz BKBUAKYNQMDGTE-INIZCTEOSA-N 0 3 321.465 2.012 20 30 DEEDHN CCCCCC(=O)NC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598591693 359253162 /nfs/dbraw/zinc/25/31/62/359253162.db2.gz YULWQGUFEYOLBB-INIZCTEOSA-N 0 3 323.481 2.448 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccnc(N2CCCC2)c1 ZINC000598715858 359302931 /nfs/dbraw/zinc/30/29/31/359302931.db2.gz UGOXITBHBYRMSJ-OAHLLOKOSA-N 0 3 302.422 2.072 20 30 DEEDHN CC(=O)N1CC[C@H](NC[C@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000598726411 359306358 /nfs/dbraw/zinc/30/63/58/359306358.db2.gz SPNOTRXERGTBRP-ZBFHGGJFSA-N 0 3 315.417 2.375 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCCN(C2CCCCC2)C1=O ZINC000598723490 359306424 /nfs/dbraw/zinc/30/64/24/359306424.db2.gz IJNWVOBYIWYADH-HOTGVXAUSA-N 0 3 321.465 2.200 20 30 DEEDHN CC(=O)N1CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000598726409 359306753 /nfs/dbraw/zinc/30/67/53/359306753.db2.gz SPNOTRXERGTBRP-HOCLYGCPSA-N 0 3 315.417 2.375 20 30 DEEDHN CN(C)c1c(F)c(F)ccc1CNC1CCN(CC#N)CC1 ZINC000598959810 359367362 /nfs/dbraw/zinc/36/73/62/359367362.db2.gz GALYSFADNJGKLA-UHFFFAOYSA-N 0 3 308.376 2.108 20 30 DEEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)CC1 ZINC000599294695 359453488 /nfs/dbraw/zinc/45/34/88/359453488.db2.gz GLHQIEITPPXZSM-LJQANCHMSA-N 0 3 312.461 2.079 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)C1CCCC1 ZINC000427977138 237052397 /nfs/dbraw/zinc/05/23/97/237052397.db2.gz XRLCTPHWWSCZPW-DLBZAZTESA-N 0 3 300.402 2.426 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](n2cccn2)C1 ZINC000428555275 237188077 /nfs/dbraw/zinc/18/80/77/237188077.db2.gz AKDDYKLREXZJIZ-IAGOWNOFSA-N 0 3 308.385 2.429 20 30 DEEDHN COc1cc(NC(=O)NCCN2CCCCC2)c(F)cc1C#N ZINC000599817355 359605351 /nfs/dbraw/zinc/60/53/51/359605351.db2.gz KRMRXQHFUOTDFH-UHFFFAOYSA-N 0 3 320.368 2.313 20 30 DEEDHN CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000599985369 359629228 /nfs/dbraw/zinc/62/92/28/359629228.db2.gz DBEKMIBRGQYOHT-AWEZNQCLSA-N 0 3 315.417 2.268 20 30 DEEDHN C=C[C@](C)(O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000667877419 540544421 /nfs/dbraw/zinc/54/44/21/540544421.db2.gz NCORTVKMYREFIM-IBGZPJMESA-N 0 3 316.445 2.091 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)cc1 ZINC000188106112 200194648 /nfs/dbraw/zinc/19/46/48/200194648.db2.gz CNQSEUYXGVDPPZ-PBHICJAKSA-N 0 3 301.386 2.330 20 30 DEEDHN Cc1ccc(CCNC[C@@H](O)COc2ccccc2C#N)o1 ZINC000600715285 359807584 /nfs/dbraw/zinc/80/75/84/359807584.db2.gz BAKLMTNTKYFNQX-OAHLLOKOSA-N 0 3 300.358 2.032 20 30 DEEDHN CC[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccncc1 ZINC000600722815 359811144 /nfs/dbraw/zinc/81/11/44/359811144.db2.gz ITHNGJUJCQAIKO-IRXDYDNUSA-N 0 3 311.385 2.434 20 30 DEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CN ZINC000237944430 202399425 /nfs/dbraw/zinc/39/94/25/202399425.db2.gz PROFGWPWIPQLAB-UHFFFAOYSA-N 0 3 301.159 2.062 20 30 DEEDHN C=CCOc1ccc(CN(C)CC2(O)CCOCC2)cc1OC ZINC000188833022 200309480 /nfs/dbraw/zinc/30/94/80/200309480.db2.gz NYQPCDBFGZAIEE-UHFFFAOYSA-N 0 3 321.417 2.233 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCOc3c(F)cccc32)CC1 ZINC000189014118 200335671 /nfs/dbraw/zinc/33/56/71/200335671.db2.gz FXGIASREZHWVCP-INIZCTEOSA-N 0 3 316.376 2.111 20 30 DEEDHN CC(C)(C)OC(=O)C1CCC(N2CCN(CCC#N)CC2)CC1 ZINC000601314889 360004620 /nfs/dbraw/zinc/00/46/20/360004620.db2.gz AXQPRGJAMUHDHP-UHFFFAOYSA-N 0 3 321.465 2.418 20 30 DEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C#N)n1C ZINC000601621586 360090255 /nfs/dbraw/zinc/09/02/55/360090255.db2.gz OHMQIYQCQNAIIY-UHFFFAOYSA-N 0 3 312.373 2.219 20 30 DEEDHN CCC[C@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)OC ZINC000602431045 360369510 /nfs/dbraw/zinc/36/95/10/360369510.db2.gz BHAXELQEICOFEU-GOSISDBHSA-N 0 3 301.434 2.491 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000668724545 540718117 /nfs/dbraw/zinc/71/81/17/540718117.db2.gz DHEMZRLXYZVWGE-GOSISDBHSA-N 0 3 302.418 2.046 20 30 DEEDHN CN(C)[C@H](CNC(=O)Nc1ccnc(C#N)c1)Cc1ccccc1 ZINC000603140444 360717465 /nfs/dbraw/zinc/71/74/65/360717465.db2.gz UGQUPOOIYFWHGA-KRWDZBQOSA-N 0 3 323.400 2.248 20 30 DEEDHN CC[C@H](N)c1cn(Cc2c(C#N)c(C)nn2-c2ccccc2)nn1 ZINC000603186798 360738126 /nfs/dbraw/zinc/73/81/26/360738126.db2.gz VNYOOLUSYBYGDO-HNNXBMFYSA-N 0 3 321.388 2.102 20 30 DEEDHN C=CCNC(=O)CN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271989867 209363693 /nfs/dbraw/zinc/36/36/93/209363693.db2.gz IOAFLSGMAFDTRW-LBPRGKRZSA-N 0 3 323.418 2.357 20 30 DEEDHN Cn1cc(CN[C@@H](CO)CC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000603431250 360831275 /nfs/dbraw/zinc/83/12/75/360831275.db2.gz KYRUYBYPAPWMOJ-CQSZACIVSA-N 0 3 320.343 2.064 20 30 DEEDHN COC(=O)C[C@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000604305073 360895925 /nfs/dbraw/zinc/89/59/25/360895925.db2.gz RMVFJMYXKYADDB-OAHLLOKOSA-N 0 3 302.374 2.355 20 30 DEEDHN C=C(C)[C@H](CO)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000670092727 540915705 /nfs/dbraw/zinc/91/57/05/540915705.db2.gz NHIDZUJGZBKTOM-CEXWTWQISA-N 0 3 316.445 2.500 20 30 DEEDHN C=CCN1CCC(Nc2ccc(C(=O)NC3CC3)cn2)CC1 ZINC000608085177 361167879 /nfs/dbraw/zinc/16/78/79/361167879.db2.gz LEJBMBLPSBGYBI-UHFFFAOYSA-N 0 3 300.406 2.036 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292805072 223253406 /nfs/dbraw/zinc/25/34/06/223253406.db2.gz BVIRLJZBEWEWES-KRWDZBQOSA-N 0 3 314.389 2.126 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000609919746 361349347 /nfs/dbraw/zinc/34/93/47/361349347.db2.gz IPQPQMNDLAFYQP-LBPRGKRZSA-N 0 3 308.341 2.110 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000610404759 361395041 /nfs/dbraw/zinc/39/50/41/361395041.db2.gz ZMHLLVCXDQYWJE-XEZPLFJOSA-N 0 3 300.406 2.401 20 30 DEEDHN C=CCOCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000673011015 541082084 /nfs/dbraw/zinc/08/20/84/541082084.db2.gz RQFQLZODMQWDKJ-GDBMZVCRSA-N 0 3 305.422 2.180 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000610947111 361496360 /nfs/dbraw/zinc/49/63/60/361496360.db2.gz RVFBYXWYJDJDMI-YVEFUNNKSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCNc1ncc(C(=O)N[C@@H](CC)CN2CCCC2)s1 ZINC000676339563 541443914 /nfs/dbraw/zinc/44/39/14/541443914.db2.gz SLPWQHJNCBUNIN-LBPRGKRZSA-N 0 3 308.451 2.345 20 30 DEEDHN C=CCN1CCC(NCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623407807 365019188 /nfs/dbraw/zinc/01/91/88/365019188.db2.gz XRUOLYAYJGCZKQ-UHFFFAOYSA-N 0 3 315.396 2.146 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(-c3cnn(C)c3)o2)CC1 ZINC000449845524 241158420 /nfs/dbraw/zinc/15/84/20/241158420.db2.gz QAKIXIWOSGIVBI-UHFFFAOYSA-N 0 3 314.389 2.060 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000449865678 241182027 /nfs/dbraw/zinc/18/20/27/241182027.db2.gz BMBWVXHTWHFSMN-KSZLIROESA-N 0 3 314.429 2.358 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(Cn2ccnn2)CC1 ZINC000092098616 193157308 /nfs/dbraw/zinc/15/73/08/193157308.db2.gz HGIUXPJTAWTZRU-UHFFFAOYSA-N 0 3 310.401 2.202 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000275209975 212197363 /nfs/dbraw/zinc/19/73/63/212197363.db2.gz JOMYLUXMTLOLBB-VBNZEHGJSA-N 0 3 301.390 2.432 20 30 DEEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCOC1 ZINC000348142369 296115818 /nfs/dbraw/zinc/11/58/18/296115818.db2.gz NFAAHBKHHZNCIQ-HZPDHXFCSA-N 0 3 315.417 2.338 20 30 DEEDHN C=CCOc1ccccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000678237136 541696311 /nfs/dbraw/zinc/69/63/11/541696311.db2.gz NPNUJSORVQPVHD-MSOLQXFVSA-N 0 3 316.445 2.282 20 30 DEEDHN CC(C)(C#N)CCS(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000563777863 335006081 /nfs/dbraw/zinc/00/60/81/335006081.db2.gz YPICITSDPJHRKD-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000275111445 212128149 /nfs/dbraw/zinc/12/81/49/212128149.db2.gz NDAFFNYENRZKHC-ZDUSSCGKSA-N 0 3 311.307 2.059 20 30 DEEDHN CCN(C1CCN(CC(C)(C)CCC#N)CC1)S(C)(=O)=O ZINC000093320861 193231637 /nfs/dbraw/zinc/23/16/37/193231637.db2.gz RHHMCBKTIMEZCV-UHFFFAOYSA-N 0 3 315.483 2.062 20 30 DEEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453365318 245091749 /nfs/dbraw/zinc/09/17/49/245091749.db2.gz RMRNUUKLPAEFLZ-DGCLKSJQSA-N 0 3 315.410 2.207 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC(C)(OC)CC1 ZINC000271714958 209150450 /nfs/dbraw/zinc/15/04/50/209150450.db2.gz JWRBUCVLFPWKSW-UHFFFAOYSA-N 0 3 304.390 2.447 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)COc1ccccc1C#N ZINC000265015416 204344909 /nfs/dbraw/zinc/34/49/09/204344909.db2.gz VINAXYBYTAGHSP-INIZCTEOSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCOCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000679482374 541860877 /nfs/dbraw/zinc/86/08/77/541860877.db2.gz CURHTFYZJGFSLZ-RDJZCZTQSA-N 0 3 317.433 2.324 20 30 DEEDHN CS[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1N(C)C ZINC000271682524 209122712 /nfs/dbraw/zinc/12/27/12/209122712.db2.gz ZMVYJNIXWXFCCW-JKSUJKDBSA-N 0 3 316.474 2.314 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H](C)Cn2cccn2)c(C#N)c1C ZINC000267359695 206011903 /nfs/dbraw/zinc/01/19/03/206011903.db2.gz HWUOEBLCNGZKCG-JTQLQIEISA-N 0 3 317.418 2.050 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(=O)OCC ZINC000456626863 247323691 /nfs/dbraw/zinc/32/36/91/247323691.db2.gz LZOXTIZANYJNSE-KBXIAJHMSA-N 0 3 310.438 2.262 20 30 DEEDHN N#CCc1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000456753162 247397091 /nfs/dbraw/zinc/39/70/91/247397091.db2.gz PMUWQQFHDVBHKF-KRWDZBQOSA-N 0 3 313.401 2.335 20 30 DEEDHN C[C@H]1C[C@H](N(C)C(=O)NCCc2cccc(C#N)c2)CCN1C ZINC000342253543 404470213 /nfs/dbraw/zinc/47/02/13/404470213.db2.gz VEICXWHEPAJNRJ-WMLDXEAASA-N 0 3 314.433 2.225 20 30 DEEDHN C#CCNC(=O)[C@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000491716008 248955233 /nfs/dbraw/zinc/95/52/33/248955233.db2.gz LRMIJTZOHXEVAK-NSHDSACASA-N 0 3 310.800 2.484 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000268919899 207087725 /nfs/dbraw/zinc/08/77/25/207087725.db2.gz QAOFPULFPXFFLQ-OAHLLOKOSA-N 0 3 317.437 2.127 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000295806875 532981740 /nfs/dbraw/zinc/98/17/40/532981740.db2.gz BJTJSBCVAJIXCF-WKPIXPDZSA-N 0 3 319.405 2.356 20 30 DEEDHN C=C[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1ccccc1 ZINC000270255519 208321618 /nfs/dbraw/zinc/32/16/18/208321618.db2.gz VUZNVCLRJKJOCJ-KRWDZBQOSA-N 0 3 315.461 2.100 20 30 DEEDHN CC[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(OC)cc1 ZINC000120217113 195120729 /nfs/dbraw/zinc/12/07/29/195120729.db2.gz TWFMBPVTYDJQRA-CZUORRHYSA-N 0 3 303.406 2.496 20 30 DEEDHN CCN1CCC(NC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000328806158 285183824 /nfs/dbraw/zinc/18/38/24/285183824.db2.gz LWNUEBVRTALXIN-OAHLLOKOSA-N 0 3 309.454 2.324 20 30 DEEDHN C[C@@H]1CN(c2cccc(Cl)c2C#N)CCN1CC(C)(C)O ZINC000294835048 224253229 /nfs/dbraw/zinc/25/32/29/224253229.db2.gz AVZLUPYNRHYLQQ-GFCCVEGCSA-N 0 3 307.825 2.493 20 30 DEEDHN Cn1cc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1C#N ZINC000294843500 224258423 /nfs/dbraw/zinc/25/84/23/224258423.db2.gz RHXBEOYLZGOYLU-CYBMUJFWSA-N 0 3 302.422 2.010 20 30 DEEDHN CCN1CCCN(C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000271592461 209039705 /nfs/dbraw/zinc/03/97/05/209039705.db2.gz XPDXYNVMUBKNEO-UHFFFAOYSA-N 0 3 302.378 2.126 20 30 DEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330896481 533222645 /nfs/dbraw/zinc/22/26/45/533222645.db2.gz GZFYJTBZHWJYGS-ZYHUDNBSSA-N 0 3 307.350 2.391 20 30 DEEDHN C[C@@H](CC#N)N(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000444396685 533393822 /nfs/dbraw/zinc/39/38/22/533393822.db2.gz OFRDSTDKIUEWEK-ZDUSSCGKSA-N 0 3 304.394 2.393 20 30 DEEDHN COC(=O)CCN1CCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000444677156 533426054 /nfs/dbraw/zinc/42/60/54/533426054.db2.gz VVTSBXZAHWWJFC-OAHLLOKOSA-N 0 3 309.454 2.276 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001106057087 781995021 /nfs/dbraw/zinc/99/50/21/781995021.db2.gz RYAIBMKPHJKNSX-ZIAGYGMSSA-N 0 3 305.447 2.131 20 30 DEEDHN Cc1ccnc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1C#N ZINC000360323579 133176108 /nfs/dbraw/zinc/17/61/08/133176108.db2.gz PVUQCGBYTKWBRK-IAGOWNOFSA-N 0 3 322.412 2.309 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000563029111 292026104 /nfs/dbraw/zinc/02/61/04/292026104.db2.gz CYNGFRZZKYELTK-DZGCQCFKSA-N 0 3 314.389 2.125 20 30 DEEDHN CCN1CCC(NC(=O)CN2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000329861900 404474941 /nfs/dbraw/zinc/47/49/41/404474941.db2.gz QPXQFJZHYJRCKT-HUUCEWRRSA-N 0 3 322.453 2.011 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(C#N)ccc1C ZINC000352593854 404480729 /nfs/dbraw/zinc/48/07/29/404480729.db2.gz XETVULBGKRGHLX-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ccnc(C#N)n1 ZINC000564740220 292108449 /nfs/dbraw/zinc/10/84/49/292108449.db2.gz KMFJPSPRXBYKSC-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN CC(C)[C@@H](CNc1ncncc1C#N)N1CCc2ccccc2C1 ZINC000564892415 292118502 /nfs/dbraw/zinc/11/85/02/292118502.db2.gz KAJKKYYAQBHWJU-GOSISDBHSA-N 0 3 321.428 2.265 20 30 DEEDHN CCCN(CCN1CCOC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000248890812 145172436 /nfs/dbraw/zinc/17/24/36/145172436.db2.gz AWJKBJWFILDIOZ-MRXNPFEDSA-N 0 3 301.434 2.491 20 30 DEEDHN C[C@@H](N[C@@H](C)CCN1CCOCC1)c1ccc(C#N)cc1F ZINC000358557364 147155828 /nfs/dbraw/zinc/15/58/28/147155828.db2.gz BLUNNJLBORQDRN-UONOGXRCSA-N 0 3 305.397 2.459 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CN1C1CC1 ZINC000127681360 401745832 /nfs/dbraw/zinc/74/58/32/401745832.db2.gz YJNMHLSNCYCXSD-BBRMVZONSA-N 0 3 312.417 2.325 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@@H](O)CN2CCc3ccccc3C2)n1 ZINC000127706610 401746727 /nfs/dbraw/zinc/74/67/27/401746727.db2.gz QVICJSKDSUIVQE-GOSISDBHSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000111259236 401704800 /nfs/dbraw/zinc/70/48/00/401704800.db2.gz RWBBGIFDMICQME-AWEZNQCLSA-N 0 3 322.449 2.075 20 30 DEEDHN COc1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1OCCCC#N ZINC000129728236 401808155 /nfs/dbraw/zinc/80/81/55/401808155.db2.gz WLTOSOOFGOLSJK-JKSUJKDBSA-N 0 3 316.401 2.404 20 30 DEEDHN C=C[C@@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000128214441 401767064 /nfs/dbraw/zinc/76/70/64/401767064.db2.gz DLGSLSOEQARODA-CQSZACIVSA-N 0 3 317.433 2.017 20 30 DEEDHN Cc1cc(C)c(CNCCNC(=O)C2N=CC=CC2=O)cc1C ZINC000113361084 401777018 /nfs/dbraw/zinc/77/70/18/401777018.db2.gz ARSVPLHCJFJPKV-ISLYRVAYSA-N 0 3 313.401 2.228 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2nncn2c1 ZINC000113650810 401784422 /nfs/dbraw/zinc/78/44/22/401784422.db2.gz OQSDYGLUVGZRQE-GFCCVEGCSA-N 0 3 316.324 2.106 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000115603239 401833948 /nfs/dbraw/zinc/83/39/48/401833948.db2.gz DGSNHURSXDNUNI-KBPBESRZSA-N 0 3 303.406 2.354 20 30 DEEDHN C[C@H](O)CN(CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 ZINC000078516131 401854056 /nfs/dbraw/zinc/85/40/56/401854056.db2.gz KSYHSSOUTNZDRC-HNNXBMFYSA-N 0 3 321.465 2.345 20 30 DEEDHN CC#CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000136053522 401958961 /nfs/dbraw/zinc/95/89/61/401958961.db2.gz HOALGUIZEBRBCI-UHFFFAOYSA-N 0 3 309.479 2.061 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1nc(C)cc1C)C(C)C ZINC000047633781 401986211 /nfs/dbraw/zinc/98/62/11/401986211.db2.gz NRZZCVKVDZQXLC-KRWDZBQOSA-N 0 3 318.465 2.315 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000140030089 401989241 /nfs/dbraw/zinc/98/92/41/401989241.db2.gz MYZYBCQOTXDNKN-ZDUSSCGKSA-N 0 3 323.487 2.333 20 30 DEEDHN C=CCCS(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000121114235 402015919 /nfs/dbraw/zinc/01/59/19/402015919.db2.gz BLLUBKUAMCLFTB-QGZVFWFLSA-N 0 3 322.474 2.346 20 30 DEEDHN C#CCOc1ccccc1CN1CC[C@H](COCCOC)C1 ZINC000093755194 402019698 /nfs/dbraw/zinc/01/96/98/402019698.db2.gz XSJJMNIUGQWBDS-INIZCTEOSA-N 0 3 303.402 2.184 20 30 DEEDHN N#Cc1cc(F)c(C(=O)N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000150966685 402007775 /nfs/dbraw/zinc/00/77/75/402007775.db2.gz JXKZZVLHXMGXDM-LBPRGKRZSA-N 0 3 305.328 2.147 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000066390471 402132561 /nfs/dbraw/zinc/13/25/61/402132561.db2.gz DFCWDMLBJCDRRO-CQSZACIVSA-N 0 3 320.408 2.154 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@](C)(O)C1 ZINC000124671071 402191012 /nfs/dbraw/zinc/19/10/12/402191012.db2.gz QFWKJCDVWRMJOX-FUHWJXTLSA-N 0 3 305.418 2.002 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cc3ccccc3o2)CC1 ZINC000124015793 402159638 /nfs/dbraw/zinc/15/96/38/402159638.db2.gz XCVDXIMICXGKIQ-UHFFFAOYSA-N 0 3 310.397 2.437 20 30 DEEDHN CC(=O)c1c(C)[nH]c(C(=O)N(CCC#N)CCCN(C)C)c1C ZINC000104326663 402202958 /nfs/dbraw/zinc/20/29/58/402202958.db2.gz RNXACHVGLVGHGS-UHFFFAOYSA-N 0 3 318.421 2.142 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CCCOC2)CC1 ZINC000107747692 402239782 /nfs/dbraw/zinc/23/97/82/402239782.db2.gz JDQMMACLHQRTMV-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000566306280 292228043 /nfs/dbraw/zinc/22/80/43/292228043.db2.gz KYJKWDHNQKQKRI-CHWSQXEVSA-N 0 3 302.378 2.381 20 30 DEEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCCO1 ZINC000126128396 402265656 /nfs/dbraw/zinc/26/56/56/402265656.db2.gz NBJZFRQPUKLHHV-ZDUSSCGKSA-N 0 3 307.419 2.449 20 30 DEEDHN CCN(CC(C)(C)O)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000158219286 402303496 /nfs/dbraw/zinc/30/34/96/402303496.db2.gz OVCIQGOBGAGSNO-HNNXBMFYSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ncc(C)s2)CC1 ZINC000176499284 402315154 /nfs/dbraw/zinc/31/51/54/402315154.db2.gz JCPVYFOQFPGNBR-UHFFFAOYSA-N 0 3 308.451 2.291 20 30 DEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CCN(C)C ZINC000176916125 402349587 /nfs/dbraw/zinc/34/95/87/402349587.db2.gz QJMZWWCJWMZEFF-UHFFFAOYSA-N 0 3 304.394 2.371 20 30 DEEDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185856608 402383170 /nfs/dbraw/zinc/38/31/70/402383170.db2.gz NMJMHUAJBPLGEY-CZUORRHYSA-N 0 3 306.431 2.403 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](OCC(C)C)C2)CC1 ZINC000177247781 402385020 /nfs/dbraw/zinc/38/50/20/402385020.db2.gz UVNDTOUDXCQFCS-INIZCTEOSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCOc1ccc(CNC[C@]2(O)CCSC2)cc1OC ZINC000176758649 402334286 /nfs/dbraw/zinc/33/42/86/402334286.db2.gz RYLLUBXWAJAGNZ-MRXNPFEDSA-N 0 3 309.431 2.218 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185986104 402394952 /nfs/dbraw/zinc/39/49/52/402394952.db2.gz GJTBMMGKEISHKI-GUTXKFCHSA-N 0 3 305.447 2.452 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177527077 402412984 /nfs/dbraw/zinc/41/29/84/402412984.db2.gz LJGWCSBEPBALJI-DZKIICNBSA-N 0 3 315.417 2.265 20 30 DEEDHN C#CCOCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186341225 402422882 /nfs/dbraw/zinc/42/28/82/402422882.db2.gz ZYGHYSFLJACRCS-GOSISDBHSA-N 0 3 314.429 2.149 20 30 DEEDHN Cc1ncc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000237851776 402423146 /nfs/dbraw/zinc/42/31/46/402423146.db2.gz XYMDBOQKANEAIV-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2nc(C)c(C)s2)CC1 ZINC000177835805 402440229 /nfs/dbraw/zinc/44/02/29/402440229.db2.gz DGURNZDBIRTJMV-UHFFFAOYSA-N 0 3 322.478 2.252 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(OC)c(C#N)c2)C1(C)C ZINC000186579728 402443959 /nfs/dbraw/zinc/44/39/59/402443959.db2.gz LJSBAYDCEKKGJY-WMZOPIPTSA-N 0 3 318.417 2.223 20 30 DEEDHN N#Cc1ccc(F)cc1CN1CCN(CC2CCOCC2)CC1 ZINC000177325571 402391265 /nfs/dbraw/zinc/39/12/65/402391265.db2.gz CDBZVYPQYBANIT-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000161609265 402393176 /nfs/dbraw/zinc/39/31/76/402393176.db2.gz KWIXEHKYVUBELS-HNNXBMFYSA-N 0 3 315.417 2.268 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)CN2CCCC2=O)cc1 ZINC000178492830 402504199 /nfs/dbraw/zinc/50/41/99/402504199.db2.gz FZUORYWJTQGTAH-LSDHHAIUSA-N 0 3 300.402 2.360 20 30 DEEDHN Fc1ccc(C#CCN2CCN(CC3CCOCC3)CC2)cc1 ZINC000178902140 402552486 /nfs/dbraw/zinc/55/24/86/402552486.db2.gz JXAIIOVSTZIZOK-UHFFFAOYSA-N 0 3 316.420 2.221 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCCOc2ccc(C#N)cc2)C1(C)C ZINC000189995911 402568981 /nfs/dbraw/zinc/56/89/81/402568981.db2.gz FVUMSPUWQWBVGT-SJLPKXTDSA-N 0 3 318.417 2.093 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1O)C(C)C ZINC000188387094 402520475 /nfs/dbraw/zinc/52/04/75/402520475.db2.gz POKSNFMTKCZTCG-BRWVUGGUSA-N 0 3 323.481 2.288 20 30 DEEDHN N#CCCCCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000179222185 402582323 /nfs/dbraw/zinc/58/23/23/402582323.db2.gz LFTXBFAUKHSXSS-LBPRGKRZSA-N 0 3 310.195 2.259 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccccn2)CC1 ZINC000171552995 402594121 /nfs/dbraw/zinc/59/41/21/402594121.db2.gz NQYKYBMMYZZYCE-CQSZACIVSA-N 0 3 302.422 2.482 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(NC(C)=O)c2)CC1 ZINC000171715556 402613716 /nfs/dbraw/zinc/61/37/16/402613716.db2.gz YVSMQWKICADYJE-UHFFFAOYSA-N 0 3 319.380 2.164 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000171737943 402616986 /nfs/dbraw/zinc/61/69/86/402616986.db2.gz GZHDDPHJKWVVON-UHFFFAOYSA-N 0 3 319.405 2.476 20 30 DEEDHN C=C(C)CN(C)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000181316876 402640987 /nfs/dbraw/zinc/64/09/87/402640987.db2.gz ZUCOELMSZGDTFM-AEFFLSMTSA-N 0 3 315.461 2.274 20 30 DEEDHN C#CCCOc1ccc(CNCCN2CCOC(C)(C)C2)cc1 ZINC000172119278 402641678 /nfs/dbraw/zinc/64/16/78/402641678.db2.gz UWVNGJYZZKJBQV-UHFFFAOYSA-N 0 3 316.445 2.289 20 30 DEEDHN CN(CCC#N)C(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000181548986 402649093 /nfs/dbraw/zinc/64/90/93/402649093.db2.gz KXZQBCYHXXMHLU-UHFFFAOYSA-N 0 3 310.401 2.285 20 30 DEEDHN COc1ccc(CN[C@@H]2CCC[C@H]2O)cc1OCCCC#N ZINC000172633325 402667606 /nfs/dbraw/zinc/66/76/06/402667606.db2.gz RNGWNZCMEKOPOL-HUUCEWRRSA-N 0 3 304.390 2.381 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(C)cccc2C)CC1 ZINC000173274326 402690257 /nfs/dbraw/zinc/69/02/57/402690257.db2.gz QPIUQGHWOZSUMV-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN C[C@H](CCNS(=O)(=O)c1ccc(C#N)cc1)N1CCCCC1 ZINC000183287979 402753573 /nfs/dbraw/zinc/75/35/73/402753573.db2.gz HJTFCNIYHLMRTA-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN Cc1nc(C(=O)N(CCN(C)C)C2CCCC2)ccc1C#N ZINC000194460835 402798613 /nfs/dbraw/zinc/79/86/13/402798613.db2.gz KDOHWCYYWUOFPP-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN CC[C@H](CC#N)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000183907169 402803918 /nfs/dbraw/zinc/80/39/18/402803918.db2.gz KCGVPEOPTBVYOL-MRXNPFEDSA-N 0 3 314.433 2.251 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c[nH]1 ZINC000194752066 402814385 /nfs/dbraw/zinc/81/43/85/402814385.db2.gz ACEGHVNZEAHDCB-OAHLLOKOSA-N 0 3 308.385 2.138 20 30 DEEDHN C#CCCCCC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000271381854 402864821 /nfs/dbraw/zinc/86/48/21/402864821.db2.gz RAYXDKZZLCKLMZ-UHFFFAOYSA-N 0 3 316.445 2.479 20 30 DEEDHN Cc1occc1C(=O)NC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278520463 402867556 /nfs/dbraw/zinc/86/75/56/402867556.db2.gz CKIKBDPKCKLSSC-HIFRSBDPSA-N 0 3 301.390 2.475 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc(N(C)C)c2)CC1 ZINC000264393888 402874192 /nfs/dbraw/zinc/87/41/92/402874192.db2.gz KXAVIPZMFKPTOZ-UHFFFAOYSA-N 0 3 316.449 2.202 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@H](C)NCCC(C)(C)C#N)c1 ZINC000272034292 402889135 /nfs/dbraw/zinc/88/91/35/402889135.db2.gz PVFIBHQZBXDLGQ-LBPRGKRZSA-N 0 3 309.435 2.185 20 30 DEEDHN CC[C@@H](C)[C@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272108907 402898175 /nfs/dbraw/zinc/89/81/75/402898175.db2.gz IQILTBHAEJWWIE-CXAGYDPISA-N 0 3 312.417 2.455 20 30 DEEDHN CC1(C#N)CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000272480751 402942598 /nfs/dbraw/zinc/94/25/98/402942598.db2.gz BAIFNMTZZVHKQI-HNNXBMFYSA-N 0 3 306.381 2.329 20 30 DEEDHN COC[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279463700 402945488 /nfs/dbraw/zinc/94/54/88/402945488.db2.gz USLWUKOBBWQFII-CQSZACIVSA-N 0 3 313.405 2.325 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1OC ZINC000272532447 402949804 /nfs/dbraw/zinc/94/98/04/402949804.db2.gz INRYBKPZJAHGFT-OLZOCXBDSA-N 0 3 304.390 2.082 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@@H](C)N2CCCCCC2)n1 ZINC000279215165 402917255 /nfs/dbraw/zinc/91/72/55/402917255.db2.gz XDIAQEZMGFBUKL-MRXNPFEDSA-N 0 3 316.449 2.129 20 30 DEEDHN C#CCN(C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000274087322 403029532 /nfs/dbraw/zinc/02/95/32/403029532.db2.gz HYEQIRSIAZTAGI-WBVHZDCISA-N 0 3 311.429 2.457 20 30 DEEDHN C#CCN(CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000266884055 402996770 /nfs/dbraw/zinc/99/67/70/402996770.db2.gz AUPRZFQMBBQZKH-UHFFFAOYSA-N 0 3 301.415 2.392 20 30 DEEDHN CC1(C)[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]2CCO[C@@H]21 ZINC000280284876 402983722 /nfs/dbraw/zinc/98/37/22/402983722.db2.gz DWBZKHOESRIHJQ-HZMVEIRTSA-N 0 3 323.396 2.170 20 30 DEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCCC#N ZINC000273233783 402985317 /nfs/dbraw/zinc/98/53/17/402985317.db2.gz MEVNBNUPWGRIIF-UHFFFAOYSA-N 0 3 306.385 2.203 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000268522441 403091463 /nfs/dbraw/zinc/09/14/63/403091463.db2.gz CCKBIURUJWPOPM-KRWDZBQOSA-N 0 3 302.418 2.208 20 30 DEEDHN CC#CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274827308 403091665 /nfs/dbraw/zinc/09/16/65/403091665.db2.gz LCUMHGKUZLTNLU-UHFFFAOYSA-N 0 3 313.361 2.007 20 30 DEEDHN CCN1CCN(c2cccc(Nc3nccnc3C#N)c2)CC1 ZINC000274447698 403056257 /nfs/dbraw/zinc/05/62/57/403056257.db2.gz HZAOOUPRJQOUKU-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN CCc1nnc(N(C)C[C@H]2CCCN(C)C2)c(C#N)c1CC ZINC000268164695 403056399 /nfs/dbraw/zinc/05/63/99/403056399.db2.gz HYVRFGNRCBVQCL-ZDUSSCGKSA-N 0 3 301.438 2.251 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281167009 403059904 /nfs/dbraw/zinc/05/99/04/403059904.db2.gz GPAYWURDBGGNGH-ZBFHGGJFSA-N 0 3 302.374 2.182 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCc2cccc(OC)c2)C1=O ZINC000281275950 403062328 /nfs/dbraw/zinc/06/23/28/403062328.db2.gz IHODJXFSJIGQRR-KRWDZBQOSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CC1 ZINC000281875167 403100394 /nfs/dbraw/zinc/10/03/94/403100394.db2.gz CUJVOPINBSABDF-UHFFFAOYSA-N 0 3 319.336 2.326 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H](C)Cc1cccc(Cl)c1 ZINC000282535497 403156253 /nfs/dbraw/zinc/15/62/53/403156253.db2.gz BITDNHVDPNLVII-LBPRGKRZSA-N 0 3 301.839 2.461 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000282656108 403157921 /nfs/dbraw/zinc/15/79/21/403157921.db2.gz PNKIIYBOAOGSOO-OAHLLOKOSA-N 0 3 320.437 2.176 20 30 DEEDHN C=C[C@H](CC(=O)NCCN(C)CCCOC)c1ccccc1 ZINC000270360214 403183777 /nfs/dbraw/zinc/18/37/77/403183777.db2.gz XEXSYKDBMFRPRG-MRXNPFEDSA-N 0 3 304.434 2.431 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 ZINC000270917107 403239893 /nfs/dbraw/zinc/23/98/93/403239893.db2.gz JIKCEVKHLLHECF-NFECSFHCSA-N 0 3 317.433 2.469 20 30 DEEDHN Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c([O-])c1C ZINC000271254092 403283185 /nfs/dbraw/zinc/28/31/85/403283185.db2.gz LDCGIYVKFGWCKC-UHFFFAOYSA-N 0 3 303.406 2.317 20 30 DEEDHN CC(C)CC[C@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292233630 403329107 /nfs/dbraw/zinc/32/91/07/403329107.db2.gz PRLBLCGISKCSQW-HOTGVXAUSA-N 0 3 303.406 2.203 20 30 DEEDHN N#CCCOCCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000339202974 403372860 /nfs/dbraw/zinc/37/28/60/403372860.db2.gz UKTFSFQFZKHCSG-HOCLYGCPSA-N 0 3 308.809 2.278 20 30 DEEDHN Cc1oc(NC(=O)CN[C@H](C2CC2)C(C)(C)CO)c(C#N)c1C ZINC000293221797 403418632 /nfs/dbraw/zinc/41/86/32/403418632.db2.gz XZWUMIVOZBWGOI-OAHLLOKOSA-N 0 3 319.405 2.093 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)C(C)C#N)N1CCCCC1 ZINC000345761555 403473150 /nfs/dbraw/zinc/47/31/50/403473150.db2.gz LMBWYPZHVRPRBN-HOCLYGCPSA-N 0 3 315.417 2.498 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000343148917 403477580 /nfs/dbraw/zinc/47/75/80/403477580.db2.gz YBPQQEDMAUORTM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](C#N)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000345798516 403488618 /nfs/dbraw/zinc/48/86/18/403488618.db2.gz XOLSLMQPNBCLMH-AWEZNQCLSA-N 0 3 312.417 2.317 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1C#N ZINC000299111194 403524009 /nfs/dbraw/zinc/52/40/09/403524009.db2.gz YACVZEWHIHVJAF-OLZOCXBDSA-N 0 3 300.406 2.112 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N(C)C ZINC000343242366 403507550 /nfs/dbraw/zinc/50/75/50/403507550.db2.gz YMUIEVUQBKOHFU-CJNGLKHVSA-N 0 3 303.406 2.028 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CC(F)(F)C2)cc1 ZINC000293571809 403508322 /nfs/dbraw/zinc/50/83/22/403508322.db2.gz FEVMKMAYWZDRGP-AWEZNQCLSA-N 0 3 303.312 2.402 20 30 DEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC#C)CC1 ZINC000287366908 403584075 /nfs/dbraw/zinc/58/40/75/403584075.db2.gz NYBQGQWAURPODQ-LJQANCHMSA-N 0 3 308.425 2.082 20 30 DEEDHN C=CCN(CCn1ccnc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000346303735 403584469 /nfs/dbraw/zinc/58/44/69/403584469.db2.gz BSAVGDHRESZVBV-OAHLLOKOSA-N 0 3 323.404 2.108 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccc(NC(=O)[C@@H](C)C#N)cc1)C1CC1 ZINC000346972759 403609642 /nfs/dbraw/zinc/60/96/42/403609642.db2.gz HYIHOMGTIYPXEC-STQMWFEESA-N 0 3 324.384 2.435 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccc(NC(=O)[C@H](C)C#N)cc1)C1CC1 ZINC000346972756 403609697 /nfs/dbraw/zinc/60/96/97/403609697.db2.gz HYIHOMGTIYPXEC-CHWSQXEVSA-N 0 3 324.384 2.435 20 30 DEEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000347107184 403616188 /nfs/dbraw/zinc/61/61/88/403616188.db2.gz MOSMUOHYCKSBOZ-NSHDSACASA-N 0 3 303.337 2.162 20 30 DEEDHN CCN1CCN([C@H](C)CNc2c(F)cc(C#N)cc2F)CC1 ZINC000301553730 403646484 /nfs/dbraw/zinc/64/64/84/403646484.db2.gz WCVBHLTXDIQIKU-GFCCVEGCSA-N 0 3 308.376 2.274 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000294032364 403629858 /nfs/dbraw/zinc/62/98/58/403629858.db2.gz RRQJMIOSZPHORY-UHFFFAOYSA-N 0 3 316.449 2.153 20 30 DEEDHN N#CCOc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000287619005 403635544 /nfs/dbraw/zinc/63/55/44/403635544.db2.gz ZPXKZGBKCSWFOW-MRXNPFEDSA-N 0 3 313.401 2.033 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000294070931 403639913 /nfs/dbraw/zinc/63/99/13/403639913.db2.gz VWJGTHAEFUOWPC-HNNXBMFYSA-N 0 3 304.409 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(C2CCCCC2)c1C ZINC000294117994 403652260 /nfs/dbraw/zinc/65/22/60/403652260.db2.gz ZLQIYMYEUGLXNW-UHFFFAOYSA-N 0 3 316.449 2.382 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)c3ccccc3OCC#N)C2)C1 ZINC000294122302 403653669 /nfs/dbraw/zinc/65/36/69/403653669.db2.gz LWAZRGUFWJRKKV-GOSISDBHSA-N 0 3 313.401 2.147 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000287930192 403693314 /nfs/dbraw/zinc/69/33/14/403693314.db2.gz HCGPQSRMSMHAFD-CRAIPNDOSA-N 0 3 311.429 2.314 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1 ZINC000288083337 403721299 /nfs/dbraw/zinc/72/12/99/403721299.db2.gz HMGGUEYUFGTZJW-HOCLYGCPSA-N 0 3 300.406 2.252 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)CSCC#N)CCN1Cc1ccccc1 ZINC000288357388 403746939 /nfs/dbraw/zinc/74/69/39/403746939.db2.gz UESOUVYPIXBQNA-ZFWWWQNUSA-N 0 3 303.431 2.022 20 30 DEEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccncn1 ZINC000354462295 403813405 /nfs/dbraw/zinc/81/34/05/403813405.db2.gz HIKJUPNMECAEHZ-SNVBAGLBSA-N 0 3 322.246 2.303 20 30 DEEDHN CCc1ccc([O-])c(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000354470223 403821095 /nfs/dbraw/zinc/82/10/95/403821095.db2.gz OSORTQZFVRBCIY-UHFFFAOYSA-N 0 3 303.406 2.262 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCN1C ZINC000341204692 403829778 /nfs/dbraw/zinc/82/97/78/403829778.db2.gz QCNGHXPISLNJFO-CJNGLKHVSA-N 0 3 300.406 2.182 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000305104361 403833754 /nfs/dbraw/zinc/83/37/54/403833754.db2.gz YVVPCPQXVLJVAH-MRXNPFEDSA-N 0 3 320.433 2.418 20 30 DEEDHN CCC[C@@]1(CO)CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000288840850 403779276 /nfs/dbraw/zinc/77/92/76/403779276.db2.gz OPURXFNOWIWIMZ-GOSISDBHSA-N 0 3 318.417 2.430 20 30 DEEDHN N#CCCn1ccc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)n1 ZINC000289116446 403839028 /nfs/dbraw/zinc/83/90/28/403839028.db2.gz DGBJHJJDBLVJDM-UONOGXRCSA-N 0 3 324.340 2.040 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1 ZINC000305160273 403856720 /nfs/dbraw/zinc/85/67/20/403856720.db2.gz BHMGHLKVYIBLLL-UHFFFAOYSA-N 0 3 323.481 2.219 20 30 DEEDHN C=CCOCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000354593468 403892957 /nfs/dbraw/zinc/89/29/57/403892957.db2.gz DHWPMFPZXLRPDQ-UHFFFAOYSA-N 0 3 302.418 2.278 20 30 DEEDHN C=CCOc1cccc(CN[C@@H]2CCOC[C@H]2OCCOC)c1 ZINC000362530160 403961909 /nfs/dbraw/zinc/96/19/09/403961909.db2.gz VJLSPXKNFGONMN-QZTJIDSGSA-N 0 3 321.417 2.162 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](O)CC(C)(C)C1 ZINC000295431629 403921088 /nfs/dbraw/zinc/92/10/88/403921088.db2.gz JJGLDEQNCJUPOH-HNNXBMFYSA-N 0 3 318.417 2.429 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nc(-c2cc(C)ccn2)no1 ZINC000411647028 403922658 /nfs/dbraw/zinc/92/26/58/403922658.db2.gz NMFOUAMKZBQAFR-UHFFFAOYSA-N 0 3 315.421 2.380 20 30 DEEDHN C=CCOCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347904380 403944332 /nfs/dbraw/zinc/94/43/32/403944332.db2.gz WGEOGJGNTZLFAG-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCCN1C ZINC000344230662 403991884 /nfs/dbraw/zinc/99/18/84/403991884.db2.gz DHMQISFGOCFRJS-XJKSGUPXSA-N 0 3 300.406 2.182 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000289738331 403995261 /nfs/dbraw/zinc/99/52/61/403995261.db2.gz KMNFFCKYBNJNMA-UHFFFAOYSA-N 0 3 302.353 2.469 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2sccc2C#N)C1(C)C ZINC000296077647 404083290 /nfs/dbraw/zinc/08/32/90/404083290.db2.gz PTYDXSMBCRHTQC-TVYUQYBPSA-N 0 3 307.419 2.207 20 30 DEEDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1sccc1C#N)C1CC1 ZINC000411978427 404039621 /nfs/dbraw/zinc/03/96/21/404039621.db2.gz YXFZWXWKDKFDNF-BMIGLBTASA-N 0 3 307.419 2.351 20 30 DEEDHN CC(C)(C#N)CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000354852719 404057053 /nfs/dbraw/zinc/05/70/53/404057053.db2.gz OCQNNMDYZBYOQQ-UHFFFAOYSA-N 0 3 315.421 2.147 20 30 DEEDHN CN(C)C1(CNC(=O)N[C@H]2CCC(=O)NC23CCC3)CCC1 ZINC000328714143 404136951 /nfs/dbraw/zinc/13/69/51/404136951.db2.gz CFRSETKDJBDKJF-LBPRGKRZSA-N 0 3 308.426 2.016 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000296227133 404152915 /nfs/dbraw/zinc/15/29/15/404152915.db2.gz MYJNMKRCUQHUQB-HZPDHXFCSA-N 0 3 313.401 2.434 20 30 DEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000328838715 404159027 /nfs/dbraw/zinc/15/90/27/404159027.db2.gz YIXLSIFDXWFKGW-IMJJTQAJSA-N 0 3 321.465 2.464 20 30 DEEDHN CC(C)N1C[C@@H](NCc2cccc(OCCCC#N)c2)CC1=O ZINC000344473306 404163637 /nfs/dbraw/zinc/16/36/37/404163637.db2.gz KTLOMZBLCUJWEJ-INIZCTEOSA-N 0 3 315.417 2.468 20 30 DEEDHN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000328951115 404180470 /nfs/dbraw/zinc/18/04/70/404180470.db2.gz LMIMDKQTSPXESL-VBNZEHGJSA-N 0 3 318.421 2.081 20 30 DEEDHN N#Cc1ncccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000290502712 404196713 /nfs/dbraw/zinc/19/67/13/404196713.db2.gz ACHSOJBPNIUEPH-MRXNPFEDSA-N 0 3 308.385 2.132 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(O)c2)cc1 ZINC000349856364 404231043 /nfs/dbraw/zinc/23/10/43/404231043.db2.gz RXUYTXGOKLHEPT-INIZCTEOSA-N 0 3 305.337 2.263 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](O)[C@H](C)c2ccc(C)cc2)CC1 ZINC000344594610 404247851 /nfs/dbraw/zinc/24/78/51/404247851.db2.gz NQCQMOOBRKKVLE-QAPCUYQASA-N 0 3 316.445 2.226 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1ncccc1C)C(C)C ZINC000296530854 404293344 /nfs/dbraw/zinc/29/33/44/404293344.db2.gz UPKCJMNJYJUQSM-INIZCTEOSA-N 0 3 316.449 2.341 20 30 DEEDHN C[C@@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)n1nnnc1C(C)(C)C ZINC000329255181 404279639 /nfs/dbraw/zinc/27/96/39/404279639.db2.gz ANSROYDKJCODSV-WOPDTQHZSA-N 0 3 320.441 2.113 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000352325741 404289124 /nfs/dbraw/zinc/28/91/24/404289124.db2.gz WKSYTAQIGDOYFR-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)(C(=O)N[C@@H]1CCN(C2CC2)C1)c1cc(F)cc(C#N)c1 ZINC000350143063 404330207 /nfs/dbraw/zinc/33/02/07/404330207.db2.gz LVONWEWKDRHUMF-OAHLLOKOSA-N 0 3 315.392 2.328 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCOC2(CCC2)C1)C1=CCN(C)CC1 ZINC000329332702 404306002 /nfs/dbraw/zinc/30/60/02/404306002.db2.gz JUEVYCYVWPXAHH-ZFWWWQNUSA-N 0 3 307.438 2.242 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000329546293 404371516 /nfs/dbraw/zinc/37/15/16/404371516.db2.gz AUJLEBZVBLQTCF-TUKIKUTGSA-N 0 3 318.421 2.118 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)C12CCC2 ZINC000329546293 404371522 /nfs/dbraw/zinc/37/15/22/404371522.db2.gz AUJLEBZVBLQTCF-TUKIKUTGSA-N 0 3 318.421 2.118 20 30 DEEDHN Cc1nccn1C[C@H](C)CNC([O-])=[NH+][C@]1(C)CCO[C@H]1C1CC1 ZINC000329593029 404387839 /nfs/dbraw/zinc/38/78/39/404387839.db2.gz ZNBVGRCDBUVVPG-ISTRZQFTSA-N 0 3 320.437 2.289 20 30 DEEDHN CC(C)[C@H](NCCCC1(C#N)CCOCC1)c1nncn1C ZINC000352463844 404388598 /nfs/dbraw/zinc/38/85/98/404388598.db2.gz LFDUDVKAEDVEQY-AWEZNQCLSA-N 0 3 305.426 2.202 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000356197095 404399217 /nfs/dbraw/zinc/39/92/17/404399217.db2.gz CUSBEFFLWPUHDO-JMSVASOKSA-N 0 3 317.364 2.154 20 30 DEEDHN CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)CCO1 ZINC000329628615 404399408 /nfs/dbraw/zinc/39/94/08/404399408.db2.gz UTHZEVYEIPSEBA-MGPQQGTHSA-N 0 3 320.437 2.364 20 30 DEEDHN CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329628615 404399425 /nfs/dbraw/zinc/39/94/25/404399425.db2.gz UTHZEVYEIPSEBA-MGPQQGTHSA-N 0 3 320.437 2.364 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000296987883 404401719 /nfs/dbraw/zinc/40/17/19/404401719.db2.gz FCDGANKCVURXFW-HNNXBMFYSA-N 0 3 302.418 2.052 20 30 DEEDHN CCCN1CCC[C@H]1C(=O)NC1CCN(c2cccnn2)CC1 ZINC000329946789 404504261 /nfs/dbraw/zinc/50/42/61/404504261.db2.gz JUEMCHVPXUWMQQ-HNNXBMFYSA-N 0 3 317.437 2.276 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356413679 404508858 /nfs/dbraw/zinc/50/88/58/404508858.db2.gz FAIORZMXEMNILZ-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccsc1 ZINC000329971539 404510419 /nfs/dbraw/zinc/51/04/19/404510419.db2.gz XRRXSPHRPBXPKW-KGLIPLIRSA-N 0 3 321.446 2.138 20 30 DEEDHN O=C(Cn1ccc2ccccc2c1=O)N[C@H]1CCN(C2CC2)C1 ZINC000329823198 404461361 /nfs/dbraw/zinc/46/13/61/404461361.db2.gz BBBLLLYOBOSMSP-AWEZNQCLSA-N 0 3 311.385 2.195 20 30 DEEDHN C=CCn1c([C@H]2OCC[C@@H]2C)nnc1N1CCCN(CC)CC1 ZINC000350753101 404462923 /nfs/dbraw/zinc/46/29/23/404462923.db2.gz WIFPGQFBZZALBL-GJZGRUSLSA-N 0 3 319.453 2.094 20 30 DEEDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000330203588 404584823 /nfs/dbraw/zinc/58/48/23/404584823.db2.gz AXZXZAGYOMCEJB-LRDDRELGSA-N 0 3 304.346 2.160 20 30 DEEDHN O=C(NCCc1cnc(C2CC2)nc1)[C@@H]1CCCN1C1CC1 ZINC000330226420 404592763 /nfs/dbraw/zinc/59/27/63/404592763.db2.gz OTZNSZSRKHABKU-HNNXBMFYSA-N 0 3 300.406 2.480 20 30 DEEDHN CC(C)(CC#N)CN[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000414169765 404531906 /nfs/dbraw/zinc/53/19/06/404531906.db2.gz SAHLVEAGFVAUKL-OAHLLOKOSA-N 0 3 321.446 2.241 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CCN(c2nccn2C)CC1 ZINC000330049045 404538313 /nfs/dbraw/zinc/53/83/13/404538313.db2.gz JBCPSKIFPYCFPN-ZIAGYGMSSA-N 0 3 319.453 2.218 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342410903 404561096 /nfs/dbraw/zinc/56/10/96/404561096.db2.gz PKUQDGSTPOZBRN-LSDHHAIUSA-N 0 3 315.417 2.345 20 30 DEEDHN CC[C@@H](C)n1ncc(NC(=O)N2CCN3CCC[C@H]3C2)c1C ZINC000330140404 404562928 /nfs/dbraw/zinc/56/29/28/404562928.db2.gz WYZZSHPQTGSETH-OCCSQVGLSA-N 0 3 305.426 2.488 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CCC1 ZINC000365158836 404563766 /nfs/dbraw/zinc/56/37/66/404563766.db2.gz CYUDSGKTFAKJAR-SJORKVTESA-N 0 3 319.493 2.217 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cnccc1C#N ZINC000342433155 404574184 /nfs/dbraw/zinc/57/41/84/404574184.db2.gz LEXDGXDRQSPTEA-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN CCc1nc(C)c(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)o1 ZINC000330254054 404603874 /nfs/dbraw/zinc/60/38/74/404603874.db2.gz JGOVOPGOYBWTJF-KGLIPLIRSA-N 0 3 320.437 2.376 20 30 DEEDHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000330268855 404607464 /nfs/dbraw/zinc/60/74/64/404607464.db2.gz IXSNFAXVAJRHIN-RLFYNMQTSA-N 0 3 321.465 2.466 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000345237334 404630021 /nfs/dbraw/zinc/63/00/21/404630021.db2.gz NOAFHAORPFPMNB-XHDPSFHLSA-N 0 3 300.337 2.267 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000330351317 404633857 /nfs/dbraw/zinc/63/38/57/404633857.db2.gz MCGOXVUKAQOFAY-OWCLPIDISA-N 0 3 323.481 2.400 20 30 DEEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)C#N ZINC000345320083 404672899 /nfs/dbraw/zinc/67/28/99/404672899.db2.gz NUQWGUGHXRTFQM-GOEBONIOSA-N 0 3 300.406 2.054 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330552123 404687095 /nfs/dbraw/zinc/68/70/95/404687095.db2.gz FGQPUIPPRWTLCV-GJZGRUSLSA-N 0 3 314.433 2.301 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1c(F)cccc1C#N ZINC000353056963 404732968 /nfs/dbraw/zinc/73/29/68/404732968.db2.gz WKQNGJGBFBRSMZ-ZDUSSCGKSA-N 0 3 303.381 2.040 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCn2cc(Cl)cn2)CC1 ZINC000357584456 404738871 /nfs/dbraw/zinc/73/88/71/404738871.db2.gz UMAVEXLTOYWAJG-UHFFFAOYSA-N 0 3 310.829 2.083 20 30 DEEDHN COc1cccc([C@@H](CNC(=O)C(C)C#N)N2CCCC2)c1 ZINC000357807173 404744632 /nfs/dbraw/zinc/74/46/32/404744632.db2.gz TZNDFIVOTATQDB-CZUORRHYSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCOC)[C@H]2CC[C@H](C)C2)CC1 ZINC000358449958 404762922 /nfs/dbraw/zinc/76/29/22/404762922.db2.gz RUEGMHKCJGWDJK-RDJZCZTQSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC)cc1 ZINC000353003117 404717252 /nfs/dbraw/zinc/71/72/52/404717252.db2.gz YFSRESSOMFLSDF-AWEZNQCLSA-N 0 3 304.394 2.450 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC)CC1 ZINC000359108125 404784005 /nfs/dbraw/zinc/78/40/05/404784005.db2.gz SNIOMUHZLNQDML-OAHLLOKOSA-N 0 3 319.453 2.238 20 30 DEEDHN C=CCCCCNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000359469131 404794297 /nfs/dbraw/zinc/79/42/97/404794297.db2.gz ZLZXBKUSDFLYCF-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN Cn1cc(CN[C@@H]2CCc3nc(C(C)(C)C)cn3C2)cc1C#N ZINC000359768092 404804244 /nfs/dbraw/zinc/80/42/44/404804244.db2.gz QGOMKUYABWTTHD-CQSZACIVSA-N 0 3 311.433 2.495 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360613700 404832338 /nfs/dbraw/zinc/83/23/38/404832338.db2.gz POCQEGAZEYLEET-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416695848 404883983 /nfs/dbraw/zinc/88/39/83/404883983.db2.gz USPHPSDRTQTHDY-NVXWUHKLSA-N 0 3 312.417 2.329 20 30 DEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C#N)o2)cc1 ZINC000353506634 404851401 /nfs/dbraw/zinc/85/14/01/404851401.db2.gz YSXWDYOIKGXLQA-OAHLLOKOSA-N 0 3 313.357 2.193 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000366835808 404855658 /nfs/dbraw/zinc/85/56/58/404855658.db2.gz ZZNLBHJMGVPISG-SFHVURJKSA-N 0 3 314.429 2.055 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000435687756 405004112 /nfs/dbraw/zinc/00/41/12/405004112.db2.gz IPHIPDLGQSVNTC-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000424197270 405036902 /nfs/dbraw/zinc/03/69/02/405036902.db2.gz WNWCBFJTAWWLDO-HNNXBMFYSA-N 0 3 316.361 2.107 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2c(cc1OC)OCO2 ZINC000435744205 405008634 /nfs/dbraw/zinc/00/86/34/405008634.db2.gz WFPLJRSBBRZZFK-SJCJKPOMSA-N 0 3 305.374 2.495 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000424106556 405009000 /nfs/dbraw/zinc/00/90/00/405009000.db2.gz XUZDFPYHPRMOAP-XHSDSOJGSA-N 0 3 319.380 2.183 20 30 DEEDHN COc1ccccc1[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424115004 405011269 /nfs/dbraw/zinc/01/12/69/405011269.db2.gz SWBIQSJHMJSYQO-CABCVRRESA-N 0 3 301.390 2.380 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(Cl)c1 ZINC000424127337 405015207 /nfs/dbraw/zinc/01/52/07/405015207.db2.gz QKRKKLSHYMGBGD-RISCZKNCSA-N 0 3 309.797 2.245 20 30 DEEDHN Cc1ccc(-c2nc(CNC(=O)[C@@H](N)CCCC#N)co2)cc1 ZINC000424128909 405015407 /nfs/dbraw/zinc/01/54/07/405015407.db2.gz RQONQONOYLHGCV-HNNXBMFYSA-N 0 3 312.373 2.287 20 30 DEEDHN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424142187 405020207 /nfs/dbraw/zinc/02/02/07/405020207.db2.gz DKJLHGCALUXDOC-STQMWFEESA-N 0 3 313.405 2.255 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1C ZINC000424149315 405023054 /nfs/dbraw/zinc/02/30/54/405023054.db2.gz GUPAWBLMEDPPHX-GJZGRUSLSA-N 0 3 303.406 2.290 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000424150853 405024452 /nfs/dbraw/zinc/02/44/52/405024452.db2.gz ZRLMYOZXPZWLNP-HNNXBMFYSA-N 0 3 312.417 2.271 20 30 DEEDHN CO[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1O ZINC000451754374 405025469 /nfs/dbraw/zinc/02/54/69/405025469.db2.gz CTVQXJLYJCMLQW-RTBURBONSA-N 0 3 308.381 2.417 20 30 DEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cnn1-c1ccccc1F ZINC000424179247 405030519 /nfs/dbraw/zinc/03/05/19/405030519.db2.gz YNGHDVZTNWHJCV-ZDUSSCGKSA-N 0 3 315.352 2.280 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000424176354 405031050 /nfs/dbraw/zinc/03/10/50/405031050.db2.gz RWTYRSLJBKHUII-CQSZACIVSA-N 0 3 307.344 2.134 20 30 DEEDHN COc1ccc(CN(C(=O)[C@@H](N)CCCC#N)C2CC2)cc1 ZINC000424067250 404993005 /nfs/dbraw/zinc/99/30/05/404993005.db2.gz PADWRFFMSUVIJM-INIZCTEOSA-N 0 3 301.390 2.207 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1Br ZINC000424088320 405001280 /nfs/dbraw/zinc/00/12/80/405001280.db2.gz UBAGQEKUFVYEPO-GFCCVEGCSA-N 0 3 310.195 2.086 20 30 DEEDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000451821655 405053040 /nfs/dbraw/zinc/05/30/40/405053040.db2.gz HNIGPEGVANHPTK-CYBMUJFWSA-N 0 3 320.462 2.364 20 30 DEEDHN C=CCNC(=O)CN[C@@H](Cc1ccncc1)c1cccs1 ZINC000424276231 405055955 /nfs/dbraw/zinc/05/59/55/405055955.db2.gz DKAFGGHWKXULKN-AWEZNQCLSA-N 0 3 301.415 2.319 20 30 DEEDHN CC(C)OCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000354211131 405101014 /nfs/dbraw/zinc/10/10/14/405101014.db2.gz VWGGATSNUTUCKR-HNNXBMFYSA-N 0 3 309.454 2.464 20 30 DEEDHN N#Cc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)o1 ZINC000425016146 405231286 /nfs/dbraw/zinc/23/12/86/405231286.db2.gz WPTBAQMWKYUBFJ-DOTOQJQBSA-N 0 3 321.380 2.498 20 30 DEEDHN C=C(C)CCNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000454304421 405325180 /nfs/dbraw/zinc/32/51/80/405325180.db2.gz GCCVEJVTDAFZQV-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN Cc1cccnc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000426168005 405341690 /nfs/dbraw/zinc/34/16/90/405341690.db2.gz WZZPBYDHWCMJFB-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@@H](c3nc[nH]n3)C2)c1C ZINC000425546658 405301295 /nfs/dbraw/zinc/30/12/95/405301295.db2.gz KZWBPXDFLXLMOC-CQSZACIVSA-N 0 3 313.405 2.081 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)Nc1ncccc1OCCCC#N ZINC000455173375 405383404 /nfs/dbraw/zinc/38/34/04/405383404.db2.gz YNYXPNQRDKQIDO-UHFFFAOYSA-N 0 3 319.409 2.226 20 30 DEEDHN COc1cc(N[C@H]2CCCN(C(=O)C(C)C#N)C2)cc(OC)c1 ZINC000427014422 405385865 /nfs/dbraw/zinc/38/58/65/405385865.db2.gz ZGZCQBFYSPHCPS-OLZOCXBDSA-N 0 3 317.389 2.266 20 30 DEEDHN COC1(CO)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000447070660 405401225 /nfs/dbraw/zinc/40/12/25/405401225.db2.gz XGEZPURSVPLYOV-UHFFFAOYSA-N 0 3 318.417 2.342 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000429710302 405444875 /nfs/dbraw/zinc/44/48/75/405444875.db2.gz VKRQSNYZPWRNLK-MRXNPFEDSA-N 0 3 308.397 2.480 20 30 DEEDHN CCN1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455795903 405451799 /nfs/dbraw/zinc/45/17/99/405451799.db2.gz UOUKNOZMIGBQSE-UHFFFAOYSA-N 0 3 307.785 2.166 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000456007638 405469728 /nfs/dbraw/zinc/46/97/28/405469728.db2.gz RURCZUFJTOLHMY-MRXNPFEDSA-N 0 3 318.446 2.426 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448978796 405482992 /nfs/dbraw/zinc/48/29/92/405482992.db2.gz YWJVLTPOSLWZMN-LLVKDONJSA-N 0 3 322.206 2.145 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000492883490 405517409 /nfs/dbraw/zinc/51/74/09/405517409.db2.gz RLJLMDQDDFHEDE-UPJWGTAASA-N 0 3 307.394 2.146 20 30 DEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(OC)c1 ZINC000449585114 405627869 /nfs/dbraw/zinc/62/78/69/405627869.db2.gz KVSBFXFYTSBSTP-CABCVRRESA-N 0 3 302.374 2.388 20 30 DEEDHN C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN(C2CCC2)C1 ZINC000580066874 405577738 /nfs/dbraw/zinc/57/77/38/405577738.db2.gz JYPLZKFNGLPLBC-SOUVJXGZSA-N 0 3 304.438 2.194 20 30 DEEDHN N#CC1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000580147339 405591191 /nfs/dbraw/zinc/59/11/91/405591191.db2.gz VYOOGSTVADCKAE-INIZCTEOSA-N 0 3 312.417 2.426 20 30 DEEDHN N#Cc1cnn2cc(CNC3(Cc4ccccc4)CC3)cnc12 ZINC000580646310 405659780 /nfs/dbraw/zinc/65/97/80/405659780.db2.gz IABNAUGYTBHPEC-UHFFFAOYSA-N 0 3 303.369 2.466 20 30 DEEDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000494247587 405668934 /nfs/dbraw/zinc/66/89/34/405668934.db2.gz LDBLMVYCBTZGOF-WMLDXEAASA-N 0 3 301.390 2.090 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000457077446 405682787 /nfs/dbraw/zinc/68/27/87/405682787.db2.gz CPTCJTBTVQDEOF-GOEBONIOSA-N 0 3 315.417 2.267 20 30 DEEDHN C[C@@H]1CCCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582266306 405694921 /nfs/dbraw/zinc/69/49/21/405694921.db2.gz OTUGPOUEDFKDLQ-UKRRQHHQSA-N 0 3 321.446 2.143 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000582396292 405721218 /nfs/dbraw/zinc/72/12/18/405721218.db2.gz BWZMHTUAWWHGAD-CJNGLKHVSA-N 0 3 301.390 2.229 20 30 DEEDHN C[C@H]1CC(F)(F)CCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000528762763 405738798 /nfs/dbraw/zinc/73/87/98/405738798.db2.gz NWDWSAJGKQJKHU-JSGCOSHPSA-N 0 3 310.344 2.418 20 30 DEEDHN COCc1ccc(NC(=O)N(C)C[C@H]2CCCN2C)cc1C#N ZINC000529207885 405750799 /nfs/dbraw/zinc/75/07/99/405750799.db2.gz IGVCJOAYLRVRNB-MRXNPFEDSA-N 0 3 316.405 2.263 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000457247591 405766543 /nfs/dbraw/zinc/76/65/43/405766543.db2.gz SQCPMGDLWZWFFG-UHFFFAOYSA-N 0 3 314.311 2.042 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](N)c1ccccc1CC ZINC000583614918 405774300 /nfs/dbraw/zinc/77/43/00/405774300.db2.gz SVEUNSUWZLGVAF-BBWFWOEESA-N 0 3 317.433 2.282 20 30 DEEDHN N#Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000619759362 405931341 /nfs/dbraw/zinc/93/13/41/405931341.db2.gz GMTLIZWIQWWOJW-CYBMUJFWSA-N 0 3 318.808 2.248 20 30 DEEDHN C[C@@H](C#N)OCCN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495721471 405931525 /nfs/dbraw/zinc/93/15/25/405931525.db2.gz QDOQODQTSWWKDI-UONOGXRCSA-N 0 3 311.426 2.104 20 30 DEEDHN CC(C#N)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495775399 405933131 /nfs/dbraw/zinc/93/31/31/405933131.db2.gz RBHTXWFOXPMMHW-CYBMUJFWSA-N 0 3 321.421 2.396 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496066546 405948914 /nfs/dbraw/zinc/94/89/14/405948914.db2.gz KUKDLCOWHBNVQL-AWEZNQCLSA-N 0 3 323.437 2.390 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000561348203 405920947 /nfs/dbraw/zinc/92/09/47/405920947.db2.gz NACKFXIYSBQIKU-DVOMOZLQSA-N 0 3 312.417 2.064 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1conc1C)C(C)C ZINC000636573608 406013657 /nfs/dbraw/zinc/01/36/57/406013657.db2.gz BDAXCMJJAIRCNE-MRXNPFEDSA-N 0 3 320.437 2.481 20 30 DEEDHN N#CCCOCCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000566429688 406089029 /nfs/dbraw/zinc/08/90/29/406089029.db2.gz YRJNNHZCSDDGQL-QAQDUYKDSA-N 0 3 318.417 2.428 20 30 DEEDHN Cc1ncc(CNC[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000567228020 406095356 /nfs/dbraw/zinc/09/53/56/406095356.db2.gz CCBUTXKTGPNUNY-CQSZACIVSA-N 0 3 317.414 2.047 20 30 DEEDHN CCCCN1CCC(NS(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000451120123 406057140 /nfs/dbraw/zinc/05/71/40/406057140.db2.gz JMALFBQBMMHOAV-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)CCOC[C@@H]1CCCO1 ZINC000515249105 406059017 /nfs/dbraw/zinc/05/90/17/406059017.db2.gz AXMURZHCWYOIIA-SFHVURJKSA-N 0 3 318.417 2.202 20 30 DEEDHN N#CC1(NC(=O)CN[C@H]2CCCC[C@H]2C(F)(F)F)CCC1 ZINC000515379777 406064754 /nfs/dbraw/zinc/06/47/54/406064754.db2.gz SJWXUJKVCIBWIP-MNOVXSKESA-N 0 3 303.328 2.260 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC(O)(CC)CC)CC1 ZINC000636742408 406070242 /nfs/dbraw/zinc/07/02/42/406070242.db2.gz LBGLJWMCBBFUOA-UHFFFAOYSA-N 0 3 311.470 2.219 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)NCC3CCC(C#N)CC3)[C@@H]2C1 ZINC000517232275 406125082 /nfs/dbraw/zinc/12/50/82/406125082.db2.gz JUKCAGXEFNGOCS-SSHXOBKSSA-N 0 3 304.438 2.052 20 30 DEEDHN CC(C)[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCN1C ZINC000487946709 406275822 /nfs/dbraw/zinc/27/58/22/406275822.db2.gz BYNQQBFEAXOHRI-CQSZACIVSA-N 0 3 320.462 2.220 20 30 DEEDHN Cc1cccc(C)c1OC[C@H](NCC(=O)NCC#N)C(C)(C)C ZINC000537220104 406286432 /nfs/dbraw/zinc/28/64/32/406286432.db2.gz MEUKFQDBKFBNDL-HNNXBMFYSA-N 0 3 317.433 2.326 20 30 DEEDHN CC[C@](C)(C#N)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000570169414 406355656 /nfs/dbraw/zinc/35/56/56/406355656.db2.gz SZQWYWTXWDESGG-QGZVFWFLSA-N 0 3 302.422 2.302 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2ccccc2F)s1 ZINC000570201946 406360591 /nfs/dbraw/zinc/36/05/91/406360591.db2.gz OKYQOUVZWDOQLX-ZDUSSCGKSA-N 0 3 320.389 2.426 20 30 DEEDHN Cc1nnc([C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000520531299 406299229 /nfs/dbraw/zinc/29/92/29/406299229.db2.gz UHMJQCVLZSQLRV-CQSZACIVSA-N 0 3 324.432 2.254 20 30 DEEDHN CC[C@H]1CN(CC)CCN1Cc1cccc(C(=O)OC)c1C#N ZINC000521792711 406365976 /nfs/dbraw/zinc/36/59/76/406365976.db2.gz YTMDIMQBSIYOKD-HNNXBMFYSA-N 0 3 315.417 2.261 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC1CCN(C2CCC2)CC1 ZINC000521824374 406367384 /nfs/dbraw/zinc/36/73/84/406367384.db2.gz GCRCZGYHSGGOAB-UHFFFAOYSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)C[C@H]1CC ZINC000570325802 406377399 /nfs/dbraw/zinc/37/73/99/406377399.db2.gz PMHYKANPONPMFU-QZTJIDSGSA-N 0 3 318.461 2.181 20 30 DEEDHN C[C@]12CN([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000570898788 406451063 /nfs/dbraw/zinc/45/10/63/406451063.db2.gz NOPNFPFLLGCHQB-FSNPWBFUSA-N 0 3 309.413 2.453 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000490891243 406502317 /nfs/dbraw/zinc/50/23/17/406502317.db2.gz BMYIQTVPHDCZBG-ROUUACIJSA-N 0 3 309.413 2.100 20 30 DEEDHN N#Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000571321618 406505653 /nfs/dbraw/zinc/50/56/53/406505653.db2.gz IPJQQEZOXMURAK-MRXNPFEDSA-N 0 3 321.384 2.349 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(/C)Cc1ccccc1OC ZINC000491483214 406602369 /nfs/dbraw/zinc/60/23/69/406602369.db2.gz ABWYONNHWPBXTA-NXVVXOECSA-N 0 3 314.429 2.255 20 30 DEEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000491505085 406606609 /nfs/dbraw/zinc/60/66/09/406606609.db2.gz KJDHYVUVWCWTPV-AWEZNQCLSA-N 0 3 317.433 2.259 20 30 DEEDHN CC(C#N)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491518444 406609891 /nfs/dbraw/zinc/60/98/91/406609891.db2.gz LIFFJFXIYMFFHF-QWHCGFSZSA-N 0 3 309.410 2.299 20 30 DEEDHN C#CCNC(=O)C1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000491524170 406611073 /nfs/dbraw/zinc/61/10/73/406611073.db2.gz JYAHSVWFVNXZDP-LBPRGKRZSA-N 0 3 303.233 2.032 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000491525699 406611775 /nfs/dbraw/zinc/61/17/75/406611775.db2.gz UPDSDRQQAYIBJX-MRXNPFEDSA-N 0 3 303.381 2.067 20 30 DEEDHN C#C[C@H](NC[C@H](O)COc1ccc(CCC(C)=O)cc1)C(C)C ZINC000491380982 406581293 /nfs/dbraw/zinc/58/12/93/406581293.db2.gz CANPJCMNIGEIOB-HKUYNNGSSA-N 0 3 317.429 2.195 20 30 DEEDHN COCCN1CCC(NC(=O)Nc2scc(C)c2C#N)CC1 ZINC000571962383 406587725 /nfs/dbraw/zinc/58/77/25/406587725.db2.gz DSRGZTKQROJVHA-UHFFFAOYSA-N 0 3 322.434 2.161 20 30 DEEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C(C)C ZINC000491670133 406659949 /nfs/dbraw/zinc/65/99/49/406659949.db2.gz LQQLRLDFAXIPAG-OAHLLOKOSA-N 0 3 307.463 2.479 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[C@H](SCC)C1 ZINC000491732572 406692431 /nfs/dbraw/zinc/69/24/31/406692431.db2.gz JSYZKYBGFARSGL-GJZGRUSLSA-N 0 3 311.495 2.257 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1sc(CC2CC2)nc1C ZINC000491631811 406641831 /nfs/dbraw/zinc/64/18/31/406641831.db2.gz RRUBAFOVOWZUCT-UHFFFAOYSA-N 0 3 305.447 2.089 20 30 DEEDHN N#Cc1ccc(CN[C@@]2(CO)COc3ccccc3C2)s1 ZINC000527769513 406744427 /nfs/dbraw/zinc/74/44/27/406744427.db2.gz QLQYUTRYDLBWQF-INIZCTEOSA-N 0 3 300.383 2.076 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C(F)(F)F)cc1 ZINC000573070020 406768131 /nfs/dbraw/zinc/76/81/31/406768131.db2.gz FYWBALDZAQZVDB-CQSZACIVSA-N 0 3 315.339 2.001 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CNCCc1cc(C)no1 ZINC000573083560 406770155 /nfs/dbraw/zinc/77/01/55/406770155.db2.gz AIHUFLCBNFPKSU-MRXNPFEDSA-N 0 3 316.401 2.284 20 30 DEEDHN C#C[C@@H](NC1CCN(CC(=O)OC)CC1)c1ccc(Cl)cc1 ZINC000491771521 406710368 /nfs/dbraw/zinc/71/03/68/406710368.db2.gz OPNVMRCKEMHFNF-MRXNPFEDSA-N 0 3 320.820 2.241 20 30 DEEDHN C/C=C\c1ccc(OC[C@@H](O)CNCCCC#N)c(OC)c1 ZINC000573200507 406771105 /nfs/dbraw/zinc/77/11/05/406771105.db2.gz WERAMANSVGTHQK-BYPUDFOVSA-N 0 3 304.390 2.361 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000491950649 406788336 /nfs/dbraw/zinc/78/83/36/406788336.db2.gz CLYRLMPCBIBUCS-QZDDGCDVSA-N 0 3 313.401 2.060 20 30 DEEDHN C[C@@H]1CN(C(=O)NCC2(CC#N)CC2)CCN(C2CCC2)C1 ZINC000575236564 406790563 /nfs/dbraw/zinc/79/05/63/406790563.db2.gz PRCFUCXZLYERKZ-AWEZNQCLSA-N 0 3 304.438 2.196 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000641397209 406793012 /nfs/dbraw/zinc/79/30/12/406793012.db2.gz VSEWASZXDSBODX-KBPBESRZSA-N 0 3 323.462 2.046 20 30 DEEDHN CCN1CCCC[C@@H]1CNc1ccc(C(=O)OC)nc1C#N ZINC000554800335 406824985 /nfs/dbraw/zinc/82/49/85/406824985.db2.gz OBLROHILSJAHEK-GFCCVEGCSA-N 0 3 302.378 2.026 20 30 DEEDHN C[C@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCOC1(C)C ZINC000576444701 406831032 /nfs/dbraw/zinc/83/10/32/406831032.db2.gz LUASMEPZJSDCSC-CZUORRHYSA-N 0 3 311.385 2.266 20 30 DEEDHN N#CC1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC000577163213 406835601 /nfs/dbraw/zinc/83/56/01/406835601.db2.gz FHLJYEPSDHJICK-MRXNPFEDSA-N 0 3 312.417 2.104 20 30 DEEDHN N#Cc1cnn2cc(CNCCCOC3CCCCC3)cnc12 ZINC000555552235 406847820 /nfs/dbraw/zinc/84/78/20/406847820.db2.gz MQODHHPLTJNFPH-UHFFFAOYSA-N 0 3 313.405 2.430 20 30 DEEDHN C=CCCOCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000644978305 407221504 /nfs/dbraw/zinc/22/15/04/407221504.db2.gz MQAURYZQDHFLKR-MRXNPFEDSA-N 0 3 302.418 2.489 20 30 DEEDHN C=CC[C@@H](CO)NCc1c(Cl)cccc1N1CCOCC1 ZINC000645171716 407241716 /nfs/dbraw/zinc/24/17/16/407241716.db2.gz DAPRTBWDOPESGP-ZDUSSCGKSA-N 0 3 310.825 2.203 20 30 DEEDHN C[C@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000570934698 292516242 /nfs/dbraw/zinc/51/62/42/292516242.db2.gz OUKGUARSMSHKLL-WCQYABFASA-N 0 3 301.365 2.359 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(CC)nn(C)c2Cl)CC1 ZINC000129665712 196065600 /nfs/dbraw/zinc/06/56/00/196065600.db2.gz CRHIOVZKGONHCT-UHFFFAOYSA-N 0 3 324.856 2.406 20 30 DEEDHN COc1ccc(CN2C[C@@H](C)[C@H](CO)C2)cc1OCCCC#N ZINC000191725698 225116571 /nfs/dbraw/zinc/11/65/71/225116571.db2.gz OHEDOWPFRCUAHS-ZBFHGGJFSA-N 0 3 318.417 2.438 20 30 DEEDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000193920223 225169735 /nfs/dbraw/zinc/16/97/35/225169735.db2.gz ZIQYWJHCJJALKY-KGLIPLIRSA-N 0 3 301.390 2.250 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CSCC#N ZINC000267275091 225353687 /nfs/dbraw/zinc/35/36/87/225353687.db2.gz BBOAOHOZFFXZKW-GDBMZVCRSA-N 0 3 317.458 2.270 20 30 DEEDHN COc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331077377 226058640 /nfs/dbraw/zinc/05/86/40/226058640.db2.gz WDAMABMGWKCZLV-WDEREUQCSA-N 0 3 307.350 2.391 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)C2(C#N)CCCC2)CC1 ZINC000341328597 226213665 /nfs/dbraw/zinc/21/36/65/226213665.db2.gz LLUVASWRKQRJTE-UHFFFAOYSA-N 0 3 307.438 2.076 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)NCC(C)(C)C#N)c1 ZINC000348797260 226655566 /nfs/dbraw/zinc/65/55/66/226655566.db2.gz GNDKQCAGIJHZTA-UHFFFAOYSA-N 0 3 304.394 2.298 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOCC3(CCC3)C2)cc1 ZINC000373829141 227119177 /nfs/dbraw/zinc/11/91/77/227119177.db2.gz PUHBAKGASLUFPT-QGZVFWFLSA-N 0 3 323.396 2.270 20 30 DEEDHN C[C@@H]1CN(CCCNc2ccc(C#N)c([N+](=O)[O-])c2)CCCO1 ZINC000291001816 222063902 /nfs/dbraw/zinc/06/39/02/222063902.db2.gz VEVINGTWZDENDD-CYBMUJFWSA-N 0 3 318.377 2.379 20 30 DEEDHN N#Cc1cnc(NCC2(N3CCCC3)CCOCC2)c(F)c1 ZINC000413123499 228279732 /nfs/dbraw/zinc/27/97/32/228279732.db2.gz MKRRIKODUNRJHZ-UHFFFAOYSA-N 0 3 304.369 2.149 20 30 DEEDHN Cc1cc(NC[C@H]2CCCN2CCCO)c(C#N)cc1[N+](=O)[O-] ZINC000413323843 228308498 /nfs/dbraw/zinc/30/84/98/228308498.db2.gz IQGNCEHTVOPNAD-CQSZACIVSA-N 0 3 318.377 2.034 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)[C@H]1C ZINC001088889028 782025732 /nfs/dbraw/zinc/02/57/32/782025732.db2.gz UNUYCQZIWICDQX-YPMHNXCESA-N 0 3 314.389 2.037 20 30 DEEDHN C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000519598753 269853901 /nfs/dbraw/zinc/85/39/01/269853901.db2.gz YPGGYTUORBSKIX-HIFRSBDPSA-N 0 3 321.446 2.285 20 30 DEEDHN C=CCNc1ncc(C(=O)NCCN2CCCC2(C)C)s1 ZINC000622096852 422536497 /nfs/dbraw/zinc/53/64/97/422536497.db2.gz DODCWCASSJGGDO-UHFFFAOYSA-N 0 3 308.451 2.345 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1CC=CCC1 ZINC000362243844 424850740 /nfs/dbraw/zinc/85/07/40/424850740.db2.gz FVLFUWPOIYOWQM-FUHWJXTLSA-N 0 3 321.465 2.346 20 30 DEEDHN C[C@H](CN(C)C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000343815297 424983449 /nfs/dbraw/zinc/98/34/49/424983449.db2.gz YTQHYJFNXPMQQL-CYBMUJFWSA-N 0 3 311.433 2.846 20 30 DEEDHN CC1(C)CCCN1CCNc1ncc(Br)cc1C#N ZINC000450948357 425083664 /nfs/dbraw/zinc/08/36/64/425083664.db2.gz FPBWZTFXQKVTHD-UHFFFAOYSA-N 0 3 323.238 3.002 20 30 DEEDHN C=CCN(C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@@H](C)COC ZINC000666751964 425173885 /nfs/dbraw/zinc/17/38/85/425173885.db2.gz APZIEVWMBWMDRH-HOTGVXAUSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC[C@H](C)C1)[C@@H](C)COC ZINC000663627464 425201985 /nfs/dbraw/zinc/20/19/85/425201985.db2.gz IPGIOQNBDFBWGB-JYJNAYRXSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1CC1CCOCC1 ZINC000661113873 425327277 /nfs/dbraw/zinc/32/72/77/425327277.db2.gz BLWGNMLBGLLHIZ-JKSUJKDBSA-N 0 3 319.453 2.324 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1CC1CCOCC1 ZINC000661113872 425327339 /nfs/dbraw/zinc/32/73/39/425327339.db2.gz BLWGNMLBGLLHIZ-HZPDHXFCSA-N 0 3 319.453 2.324 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661120458 425328208 /nfs/dbraw/zinc/32/82/08/425328208.db2.gz OVRCFRGFCUSRQB-KKUMJFAQSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)[C@H](C)O)CC1 ZINC000664018645 425289587 /nfs/dbraw/zinc/28/95/87/425289587.db2.gz BCUCMSKLILKLET-WMLDXEAASA-N 0 3 317.433 2.058 20 30 DEEDHN C=CCCn1cc(CNC[C@@H](Cc2ccccc2)N(C)C)nn1 ZINC000657285495 425293790 /nfs/dbraw/zinc/29/37/90/425293790.db2.gz HGEDOHIEJCYUNL-GOSISDBHSA-N 0 3 313.449 2.117 20 30 DEEDHN CCO[C@@H]1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528522832 267147333 /nfs/dbraw/zinc/14/73/33/267147333.db2.gz SXLCDIRRCVWMET-USXIJHARSA-N 0 3 318.417 2.045 20 30 DEEDHN CSc1nc(C2CC2)cc(C(=O)N(C)CCN(C)C)c1C#N ZINC000085360439 267386688 /nfs/dbraw/zinc/38/66/88/267386688.db2.gz JQOYUYXIKJLGFE-UHFFFAOYSA-N 0 3 318.446 2.186 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655915031 425684767 /nfs/dbraw/zinc/68/47/67/425684767.db2.gz QFMZSBFCEGTPLS-ZDUSSCGKSA-N 0 3 315.339 2.316 20 30 DEEDHN C=CCOCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000666523557 425769030 /nfs/dbraw/zinc/76/90/30/425769030.db2.gz VJAUEPAXXGERJT-MRXNPFEDSA-N 0 3 309.454 2.239 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000516158507 268250493 /nfs/dbraw/zinc/25/04/93/268250493.db2.gz YZSIBAZBGNPHGT-VNQPRFMTSA-N 0 3 304.415 2.110 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1cncc(C#N)n1 ZINC000401295068 269111792 /nfs/dbraw/zinc/11/17/92/269111792.db2.gz NNYKPGSECKDYPW-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN COc1ccc([C@H](CNc2ccnc(C#N)n2)N2CCCC2)cc1 ZINC000514950947 269338481 /nfs/dbraw/zinc/33/84/81/269338481.db2.gz LCXUZFZIAPQSIF-INIZCTEOSA-N 0 3 323.400 2.028 20 30 DEEDHN CC1(C)CN(CCC(=O)Nc2sccc2C#N)[C@@H]2COC[C@@H]21 ZINC000516908561 269371767 /nfs/dbraw/zinc/37/17/67/269371767.db2.gz FQEBQCDPLIWSAO-QWHCGFSZSA-N 0 3 319.430 2.305 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@@H]21 ZINC000519745811 269426323 /nfs/dbraw/zinc/42/63/23/269426323.db2.gz LAVTXMZFMDROFD-KGLIPLIRSA-N 0 3 315.421 2.283 20 30 DEEDHN CC1(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c2cc(N)ccc2O1 ZINC000424177175 273588590 /nfs/dbraw/zinc/58/85/90/273588590.db2.gz PSARWQNOBRCHFU-KGLIPLIRSA-N 0 3 316.405 2.008 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000369628364 276789403 /nfs/dbraw/zinc/78/94/03/276789403.db2.gz DYVXGAQEXBDCCQ-KRWDZBQOSA-N 0 3 312.413 2.399 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000491742526 277690066 /nfs/dbraw/zinc/69/00/66/277690066.db2.gz QKSIKCACQUMCPR-JSGCOSHPSA-N 0 3 310.319 2.290 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000435673192 277797703 /nfs/dbraw/zinc/79/77/03/277797703.db2.gz MJGRNDJOOXAGFM-ULQDDVLXSA-N 0 3 302.418 2.387 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](O)CC1)C(C)C ZINC000296964849 277848064 /nfs/dbraw/zinc/84/80/64/277848064.db2.gz DELJHLSQRWYVBA-SJORKVTESA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)C(C)C ZINC000417072272 277851127 /nfs/dbraw/zinc/85/11/27/277851127.db2.gz XEDYXCFWSJMDJG-BRWVUGGUSA-N 0 3 322.497 2.077 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](CC)C(=O)OC)C(C)C ZINC000277280353 277852335 /nfs/dbraw/zinc/85/23/35/277852335.db2.gz PPRCKNHGABROES-LSDHHAIUSA-N 0 3 310.438 2.000 20 30 DEEDHN CCC1(CC)[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)[C@H]1OC ZINC000345108675 278636478 /nfs/dbraw/zinc/63/64/78/278636478.db2.gz FWZCPTPJYXLFNO-KBUPBQIOSA-N 0 3 321.465 2.367 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC1(C#N)CCC1 ZINC000419522096 278980410 /nfs/dbraw/zinc/98/04/10/278980410.db2.gz LLSKVJCEALZYJI-HNNXBMFYSA-N 0 3 306.454 2.490 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1F)C[C@H]1CCCO1 ZINC000349059500 289145078 /nfs/dbraw/zinc/14/50/78/289145078.db2.gz CGLMYUASNJJSPA-MRXNPFEDSA-N 0 3 305.397 2.240 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249338696 290220387 /nfs/dbraw/zinc/22/03/87/290220387.db2.gz IOWSFXMTYQHHPY-LSDHHAIUSA-N 0 3 301.434 2.396 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@]2(C)CCO[C@H]2C)c(C#N)c1C ZINC000494271397 294038970 /nfs/dbraw/zinc/03/89/70/294038970.db2.gz PRAFSUIXCVLBNJ-KNHMANMVSA-N 0 3 305.378 2.252 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(F)ccc2OC)[C@H]1C ZINC001088934984 782060594 /nfs/dbraw/zinc/06/05/94/782060594.db2.gz JEGZEKHDVJYIHQ-DOMZBBRYSA-N 0 3 306.381 2.142 20 30 DEEDHN CN(C)c1ccc(/C=C\C=NNCC(C)(C)S(C)(=O)=O)cc1 ZINC000834972945 649863998 /nfs/dbraw/zinc/86/39/98/649863998.db2.gz RLOUHRLUZQMVHX-YLEQVECDSA-N 0 3 323.462 2.164 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H]1CCN1C1CCOCC1)c1ccccc1 ZINC001349458927 1151252082 /nfs/dbraw/zinc/25/20/82/1151252082.db2.gz GBBDUKPZYLJPSE-QZTJIDSGSA-N 0 3 314.429 2.326 20 30 DEEDHN N#Cc1ccc(CN2CCC(NCc3ncccn3)CC2)cc1 ZINC000573579106 326072854 /nfs/dbraw/zinc/07/28/54/326072854.db2.gz OJVNNSNZOHGUAA-UHFFFAOYSA-N 0 3 307.401 2.102 20 30 DEEDHN CSc1ccc([C@H](CNc2ccnc(C#N)n2)N(C)C)cc1 ZINC000573696913 326083948 /nfs/dbraw/zinc/08/39/48/326083948.db2.gz MSVMCWHKYIWMFA-AWEZNQCLSA-N 0 3 313.430 2.207 20 30 DEEDHN CSc1ccc([C@@H](CNc2ncncc2C#N)N(C)C)cc1 ZINC000575744304 326242380 /nfs/dbraw/zinc/24/23/80/326242380.db2.gz PCYRVMBAWLMJAW-OAHLLOKOSA-N 0 3 313.430 2.207 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCC(=O)OC)CC1 ZINC000531002018 331990959 /nfs/dbraw/zinc/99/09/59/331990959.db2.gz DHNGLHIUMSSPGJ-OAHLLOKOSA-N 0 3 324.465 2.465 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000518729205 332137298 /nfs/dbraw/zinc/13/72/98/332137298.db2.gz OEZIXAKNZMNHTF-WMLDXEAASA-N 0 3 315.417 2.435 20 30 DEEDHN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)C(=O)NC1(C#N)CCC1 ZINC000560446441 332340598 /nfs/dbraw/zinc/34/05/98/332340598.db2.gz RDONRTCOJHPXFX-VXGBXAGGSA-N 0 3 311.389 2.164 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](N)CCCC#N)Nc1ccccc1 ZINC000570276661 332734324 /nfs/dbraw/zinc/73/43/24/332734324.db2.gz OIXYXNYXICMLHY-CVEARBPZSA-N 0 3 302.422 2.260 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000497188362 333219546 /nfs/dbraw/zinc/21/95/46/333219546.db2.gz XANSGYQRYDEDQC-KFWWJZLASA-N 0 3 323.437 2.104 20 30 DEEDHN CN1CCC(NN=C2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000497224795 333224936 /nfs/dbraw/zinc/22/49/36/333224936.db2.gz DKHJOIPRDULILJ-UHFFFAOYSA-N 0 3 324.469 2.447 20 30 DEEDHN CN1CCC(NN=C2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000497314359 333234700 /nfs/dbraw/zinc/23/47/00/333234700.db2.gz NIXOWQMHVVVKIJ-CYBMUJFWSA-N 0 3 310.442 2.103 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(OC)C1)C(C)C ZINC000345480203 335328735 /nfs/dbraw/zinc/32/87/35/335328735.db2.gz OKUAJOLTLNRNNZ-HNNXBMFYSA-N 0 3 309.454 2.115 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccnc(C#N)n1 ZINC000398108688 337305647 /nfs/dbraw/zinc/30/56/47/337305647.db2.gz CGQKOIMNYLFOMU-HOCLYGCPSA-N 0 3 307.401 2.093 20 30 DEEDHN CC1(C)CC[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000584419232 337323093 /nfs/dbraw/zinc/32/30/93/337323093.db2.gz ZORJBQPVWOMHEP-HNNXBMFYSA-N 0 3 323.400 2.461 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000268794083 337635389 /nfs/dbraw/zinc/63/53/89/337635389.db2.gz HEJVRVAIKVCFMZ-CQSZACIVSA-N 0 3 318.417 2.274 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000429727600 338088562 /nfs/dbraw/zinc/08/85/62/338088562.db2.gz CFUBATNGDRWQSV-GVDBMIGSSA-N 0 3 309.498 2.367 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)Cc1ccccc1F ZINC000429729874 338088573 /nfs/dbraw/zinc/08/85/73/338088573.db2.gz JTIJPWMOGIRSRD-UHFFFAOYSA-N 0 3 321.440 2.224 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)NCC2(CC#N)CC2)c1 ZINC000430195423 338100819 /nfs/dbraw/zinc/10/08/19/338100819.db2.gz JGFOHLQXADZUKF-UHFFFAOYSA-N 0 3 300.406 2.241 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@H](C)NC[C@@H](C#N)CCC#N)C1 ZINC000495542596 339986994 /nfs/dbraw/zinc/98/69/94/339986994.db2.gz PHDSWAWQWWKIDI-ZNMIVQPWSA-N 0 3 306.410 2.277 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000512447580 340362258 /nfs/dbraw/zinc/36/22/58/340362258.db2.gz MOCJLGJGHLWSMO-UAGQMJEPSA-N 0 3 314.433 2.418 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000177718386 340442925 /nfs/dbraw/zinc/44/29/25/340442925.db2.gz QBQWALUBFANFRR-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000551829856 341353322 /nfs/dbraw/zinc/35/33/22/341353322.db2.gz SCFBMLDPGOCGJX-INIZCTEOSA-N 0 3 307.482 2.216 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)[C@@H]1OC ZINC000248836933 341388173 /nfs/dbraw/zinc/38/81/73/341388173.db2.gz NWHQWKZOZMWEJA-NKKGCODLSA-N 0 3 321.465 2.224 20 30 DEEDHN C=C[C@@H](COC)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC001329802233 1148997867 /nfs/dbraw/zinc/99/78/67/1148997867.db2.gz ZTSKOFXKFHSSIJ-INIZCTEOSA-N 0 3 301.390 2.231 20 30 DEEDHN CCN(CCO)c1ccc(C=NN[C@H]2CCOC2(C)C)c(C)c1 ZINC000835014451 649866539 /nfs/dbraw/zinc/86/65/39/649866539.db2.gz RYIBSMSGOJVCBX-KRWDZBQOSA-N 0 3 319.449 2.305 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCCn2cccn2)CCCC1 ZINC001378383688 1152312017 /nfs/dbraw/zinc/31/20/17/1152312017.db2.gz RQBQKKBNWFATFO-UHFFFAOYSA-N 0 3 324.856 2.434 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1ccns1 ZINC001377799314 1160830124 /nfs/dbraw/zinc/83/01/24/1160830124.db2.gz CNEBCNISTPXRDS-NXEZZACHSA-N 0 3 320.443 2.373 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001358091717 1152362016 /nfs/dbraw/zinc/36/20/16/1152362016.db2.gz RPNRLYKOAHTQFI-ROUUACIJSA-N 0 3 316.445 2.342 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001378679635 1152414504 /nfs/dbraw/zinc/41/45/04/1152414504.db2.gz RCWJYJULEQLEIL-PHZGNYQRSA-N 0 3 315.392 2.100 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001330174001 1149060249 /nfs/dbraw/zinc/06/02/49/1149060249.db2.gz CFSAVEVMJOCDNN-SYCZXOQXSA-N 0 3 306.450 2.372 20 30 DEEDHN CC(C#N)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000339897638 534282074 /nfs/dbraw/zinc/28/20/74/534282074.db2.gz RZYAZJKRWWWFRT-SECBINFHSA-N 0 3 324.178 2.006 20 30 DEEDHN CCN(C)CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000112926467 520224829 /nfs/dbraw/zinc/22/48/29/520224829.db2.gz CRWWPGZXYJAHAS-UHFFFAOYSA-N 0 3 320.462 2.039 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000451600586 534606443 /nfs/dbraw/zinc/60/64/43/534606443.db2.gz RHHMMUIXYGRHGQ-GLQYFDAESA-N 0 3 308.809 2.450 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1c2ccccc2CC[C@H]1C ZINC000451594665 534607882 /nfs/dbraw/zinc/60/78/82/534607882.db2.gz BJLRPJRGORDNOI-UNEWFSDZSA-N 0 3 300.402 2.287 20 30 DEEDHN N#CCCN(CC(F)(F)F)C(=O)C1CCN(C2CC2)CC1 ZINC000192637559 534632705 /nfs/dbraw/zinc/63/27/05/534632705.db2.gz OKHOELVXSLPMSQ-UHFFFAOYSA-N 0 3 303.328 2.165 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1(C)C ZINC000451509286 534913337 /nfs/dbraw/zinc/91/33/37/534913337.db2.gz XBRIESIFUFQJMI-JJRVBVJISA-N 0 3 309.454 2.223 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCCC(=O)OC(C)(C)C)C1=O ZINC000337278641 526499621 /nfs/dbraw/zinc/49/96/21/526499621.db2.gz SXRMXVMVVARCMR-AWEZNQCLSA-N 0 3 310.438 2.217 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000375861796 526571626 /nfs/dbraw/zinc/57/16/26/526571626.db2.gz PBAMKHXWBGDWGR-ZACQAIPSSA-N 0 3 302.418 2.230 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000339343602 526573401 /nfs/dbraw/zinc/57/34/01/526573401.db2.gz WUPPHHRYKYTNCP-GFCCVEGCSA-N 0 3 323.234 2.198 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000339343605 526574942 /nfs/dbraw/zinc/57/49/42/526574942.db2.gz WUPPHHRYKYTNCP-LBPRGKRZSA-N 0 3 323.234 2.198 20 30 DEEDHN CC(=O)N1CCC[C@H](CNC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000330095765 526586435 /nfs/dbraw/zinc/58/64/35/526586435.db2.gz WDFPECRLXOFKQT-ZBFHGGJFSA-N 0 3 307.438 2.076 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000336975943 526687472 /nfs/dbraw/zinc/68/74/72/526687472.db2.gz WJQPRQDJHPVKAU-OCCSQVGLSA-N 0 3 307.344 2.500 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000435673816 526783474 /nfs/dbraw/zinc/78/34/74/526783474.db2.gz OMBBSDIUQMUHNF-KBMXLJTQSA-N 0 3 322.836 2.307 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1ccccc1F ZINC000297586230 526811714 /nfs/dbraw/zinc/81/17/14/526811714.db2.gz UQPQIOUTOUYVDT-UHFFFAOYSA-N 0 3 305.397 2.315 20 30 DEEDHN CC(C)(C)n1ncnc1CNC(=N)Nc1cc(F)ccc1F ZINC000262283035 526941879 /nfs/dbraw/zinc/94/18/79/526941879.db2.gz LMHLUSICGQEPFX-UHFFFAOYSA-N 0 3 308.336 2.238 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000341347495 526961797 /nfs/dbraw/zinc/96/17/97/526961797.db2.gz AKZVKLQHDKAWOY-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000341420616 526961811 /nfs/dbraw/zinc/96/18/11/526961811.db2.gz OFMNEDIEHQYHPG-AWEZNQCLSA-N 0 3 303.406 2.108 20 30 DEEDHN C=CCSCCNC(=O)NC[C@H](N)c1ccccc1CC ZINC000417339655 526992806 /nfs/dbraw/zinc/99/28/06/526992806.db2.gz IQIQOINDLCYLOP-HNNXBMFYSA-N 0 3 307.463 2.467 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375874245 527025460 /nfs/dbraw/zinc/02/54/60/527025460.db2.gz KWLJDSDEHQVFCH-SFHVURJKSA-N 0 3 319.493 2.382 20 30 DEEDHN C=CCC1(C(=O)N2CCC(CN3CCN(C)CC3)CC2)CCC1 ZINC000370518126 527039788 /nfs/dbraw/zinc/03/97/88/527039788.db2.gz OIIRILKAPOEKKD-UHFFFAOYSA-N 0 3 319.493 2.219 20 30 DEEDHN C#CCO[C@H](C)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000297565988 527086065 /nfs/dbraw/zinc/08/60/65/527086065.db2.gz GJGPRRIDTIVIKE-CYBMUJFWSA-N 0 3 315.373 2.388 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188126642 527099981 /nfs/dbraw/zinc/09/99/81/527099981.db2.gz YRKBRTXMCHARDK-IBGZPJMESA-N 0 3 316.445 2.438 20 30 DEEDHN C#CCOc1ccc(CN[C@H](C)CC(=O)N(CC)CC)cc1 ZINC000295022174 527106719 /nfs/dbraw/zinc/10/67/19/527106719.db2.gz NFVPSLVCXUBVTH-OAHLLOKOSA-N 0 3 302.418 2.435 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000296617363 527106934 /nfs/dbraw/zinc/10/69/34/527106934.db2.gz WQZVSRCHJJBERB-DLBZAZTESA-N 0 3 321.442 2.144 20 30 DEEDHN C=CCc1cc(CN[C@@H](CO)[C@@H]2CCCOC2)cc(OC)c1O ZINC000414554082 527243081 /nfs/dbraw/zinc/24/30/81/527243081.db2.gz LHTKWICSQLBYGR-CVEARBPZSA-N 0 3 321.417 2.006 20 30 DEEDHN C=CCC[C@H](O)CN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338316721 527487895 /nfs/dbraw/zinc/48/78/95/527487895.db2.gz AAWKLQBLSOAUDD-HNNXBMFYSA-N 0 3 310.463 2.322 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@@H]2CCOC2)CC1 ZINC000368234143 527631800 /nfs/dbraw/zinc/63/18/00/527631800.db2.gz JFLNEZKPUCVDGM-DOTOQJQBSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@](C)(O)C1CCC1)C(C)C ZINC000362768338 527646766 /nfs/dbraw/zinc/64/67/66/527646766.db2.gz DEPPYZWMMIMJMK-WMZOPIPTSA-N 0 3 308.466 2.352 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)O)C1)C(C)C ZINC000248462708 527648743 /nfs/dbraw/zinc/64/87/43/527648743.db2.gz WSRNFCWEZSBGGX-GVDBMIGSSA-N 0 3 323.481 2.097 20 30 DEEDHN CC(C)[C@H](O)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000330880834 527713651 /nfs/dbraw/zinc/71/36/51/527713651.db2.gz YTTDSMFBDPHOER-USXIJHARSA-N 0 3 319.449 2.342 20 30 DEEDHN CC(C)OCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278710751 527976348 /nfs/dbraw/zinc/97/63/48/527976348.db2.gz RSLKJFQQWYUKGP-UHFFFAOYSA-N 0 3 313.405 2.373 20 30 DEEDHN CC(C)[C@]1(CO)CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000292996960 527991634 /nfs/dbraw/zinc/99/16/34/527991634.db2.gz ITEYJVCPOQDITC-ZWKOTPCHSA-N 0 3 302.418 2.322 20 30 DEEDHN CCC[C@H](OC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000294712624 528330766 /nfs/dbraw/zinc/33/07/66/528330766.db2.gz LXGJAOBYYDLJNF-KRWDZBQOSA-N 0 3 317.433 2.264 20 30 DEEDHN CC(C)(CC#N)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000457988539 534979731 /nfs/dbraw/zinc/97/97/31/534979731.db2.gz DBLKBZGYUYEQSL-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN CCN1C[C@H](C)N(CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000346178929 535780258 /nfs/dbraw/zinc/78/02/58/535780258.db2.gz ARFRUNATKKTMPV-GJZGRUSLSA-N 0 3 317.433 2.360 20 30 DEEDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000451636292 536644923 /nfs/dbraw/zinc/64/49/23/536644923.db2.gz ZKLCABRWOWTXCO-ZIAGYGMSSA-N 0 3 307.781 2.307 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)NCC(C)(C)CC#N)CC1 ZINC000458371259 536750046 /nfs/dbraw/zinc/75/00/46/536750046.db2.gz ZEGXMHGAUWUYKV-UHFFFAOYSA-N 0 3 324.469 2.115 20 30 DEEDHN COCC1(C#N)CCN(C[C@H](Cc2ccccc2)OC)CC1 ZINC000450927122 536802100 /nfs/dbraw/zinc/80/21/00/536802100.db2.gz ARQCQLOLKRASHI-KRWDZBQOSA-N 0 3 302.418 2.496 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c2c(nn1C)CCC2)C(C)C ZINC001379001655 1152525155 /nfs/dbraw/zinc/52/51/55/1152525155.db2.gz UBRUEYRGRKFHJO-AWEZNQCLSA-N 0 3 324.856 2.005 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1Cc2ccccc2CN1CCC ZINC001327505783 1148571644 /nfs/dbraw/zinc/57/16/44/1148571644.db2.gz DZCRDHMMBUSXGR-MJGOQNOKSA-N 0 3 316.445 2.267 20 30 DEEDHN C[C@@H](CCNC(=O)CC1CC1)NCc1cc(C#N)ccc1F ZINC001368696932 1148586980 /nfs/dbraw/zinc/58/69/80/1148586980.db2.gz DTDTYGPIJSIFBV-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001327686153 1148623278 /nfs/dbraw/zinc/62/32/78/1148623278.db2.gz WOSHHQSXXBVDDY-CQSZACIVSA-N 0 3 300.402 2.065 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccncc1 ZINC001379324068 1152608646 /nfs/dbraw/zinc/60/86/46/1152608646.db2.gz RKNGGULKDYAISJ-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(CCF)CC1 ZINC001379406847 1152620598 /nfs/dbraw/zinc/62/05/98/1152620598.db2.gz XTJKYRRABDBRCF-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccnc(OC(C)C)c2)C1 ZINC001027646026 634379002 /nfs/dbraw/zinc/37/90/02/634379002.db2.gz QNNDPVVRJMWWBW-MRXNPFEDSA-N 0 3 315.417 2.038 20 30 DEEDHN CCC#C[C@@H](C)[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825029497 607792293 /nfs/dbraw/zinc/79/22/93/607792293.db2.gz UOQGDQVEWTZBRR-OAHLLOKOSA-N 0 3 324.432 2.181 20 30 DEEDHN CCC#C[C@@H](C)[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825029497 607792294 /nfs/dbraw/zinc/79/22/94/607792294.db2.gz 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303.406 2.091 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001023692465 625390687 /nfs/dbraw/zinc/39/06/87/625390687.db2.gz AGSMVGGFCCFOLH-ZBFHGGJFSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2oc(C)nc2C)C1 ZINC001025376278 625390782 /nfs/dbraw/zinc/39/07/82/625390782.db2.gz WGACUYITBGRMOJ-SWLSCSKDSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)nc2OCC)C1 ZINC000972640981 625390923 /nfs/dbraw/zinc/39/09/23/625390923.db2.gz CYLUOOLZXRBYPJ-CQSZACIVSA-N 0 3 303.406 2.121 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cncc(F)c2)C1 ZINC001025377478 625391474 /nfs/dbraw/zinc/39/14/74/625391474.db2.gz GKCPBVCYOXRQLJ-KGLIPLIRSA-N 0 3 303.381 2.074 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)sn2)C1 ZINC001025387761 625396432 /nfs/dbraw/zinc/39/64/32/625396432.db2.gz CMTFSAARVZRCIA-KGLIPLIRSA-N 0 3 305.447 2.305 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C[C@@H](F)CC)C2)cn1 ZINC001023711461 625394320 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CC#CCN1CCC[C@@H](CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001023743690 625418456 /nfs/dbraw/zinc/41/84/56/625418456.db2.gz DMEMAMDTZKEQOI-HNNXBMFYSA-N 0 3 316.449 2.009 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccnn2C(F)F)C1 ZINC001025428165 625427161 /nfs/dbraw/zinc/42/71/61/625427161.db2.gz LKRNTTCVKBVRPY-STQMWFEESA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnc3ccccc3n2)C1 ZINC001025439850 625436988 /nfs/dbraw/zinc/43/69/88/625436988.db2.gz NYXASYZZLQZQCE-CABCVRRESA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnn(CC)c2C2CC2)C1 ZINC000972687386 625439514 /nfs/dbraw/zinc/43/95/14/625439514.db2.gz KYNPHEXOIQQWDE-AWEZNQCLSA-N 0 3 302.422 2.113 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ncccc2CC)C1 ZINC001025460590 625453546 /nfs/dbraw/zinc/45/35/46/625453546.db2.gz KNYKDRHDNBAWIH-DOTOQJQBSA-N 0 3 313.445 2.498 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC000972701906 625475923 /nfs/dbraw/zinc/47/59/23/625475923.db2.gz 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C#CCCS(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000288275547 623153414 /nfs/dbraw/zinc/15/34/14/623153414.db2.gz IIPFTHLNZQZDAZ-CQSZACIVSA-N 0 3 308.447 2.059 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001021004705 623263490 /nfs/dbraw/zinc/26/34/90/623263490.db2.gz XRXMIKYQWSTJCO-XYPYZODXSA-N 0 3 304.781 2.166 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(F)cccc2F)C1 ZINC001025605854 625629368 /nfs/dbraw/zinc/62/93/68/625629368.db2.gz DDJAMCPESGSSLX-CHWSQXEVSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C[C@H]1C ZINC000947384156 623306483 /nfs/dbraw/zinc/30/64/83/623306483.db2.gz UFRVXWNGEIZSBJ-GHMZBOCLSA-N 0 3 310.829 2.394 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC000970413542 623442693 /nfs/dbraw/zinc/44/26/93/623442693.db2.gz BCOHHBLJZVRWIN-MRXNPFEDSA-N 0 3 323.440 2.136 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(F)cc(OC)cc2F)C1 ZINC000970467231 623466958 /nfs/dbraw/zinc/46/69/58/623466958.db2.gz 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C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)o2)C1 ZINC001021525892 623704921 /nfs/dbraw/zinc/70/49/21/623704921.db2.gz HZBSHIWNWHIMGG-STQMWFEESA-N 0 3 306.793 2.493 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC000970873421 623753885 /nfs/dbraw/zinc/75/38/85/623753885.db2.gz PRVPJVBSQURMDR-XJKSGUPXSA-N 0 3 304.821 2.342 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2snnc2C2CC2)C[C@@H]1C ZINC000947411953 623757358 /nfs/dbraw/zinc/75/73/58/623757358.db2.gz LZOMRAXJHGAIJI-JQWIXIFHSA-N 0 3 306.435 2.184 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(F)cn2)C1 ZINC001021568329 623769761 /nfs/dbraw/zinc/76/97/61/623769761.db2.gz IYDKDDKELUIAKX-YOEHRIQHSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)cn2)C1 ZINC001021568326 623769825 /nfs/dbraw/zinc/76/98/25/623769825.db2.gz IYDKDDKELUIAKX-WMLDXEAASA-N 0 3 315.392 2.171 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC001021583525 623787937 /nfs/dbraw/zinc/78/79/37/623787937.db2.gz 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623956407 /nfs/dbraw/zinc/95/64/07/623956407.db2.gz RNPXFTMQRUXRER-ZBFHGGJFSA-N 0 3 313.401 2.112 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)nsc2C)C1 ZINC001025631758 625691006 /nfs/dbraw/zinc/69/10/06/625691006.db2.gz DUASVHMQBVIGGM-SMDDNHRTSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(OC)cc2)C1 ZINC001021716207 624000588 /nfs/dbraw/zinc/00/05/88/624000588.db2.gz COINKTYBGWTHBM-WMZOPIPTSA-N 0 3 312.413 2.255 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(F)cc2)C1 ZINC001021725288 624006723 /nfs/dbraw/zinc/00/67/23/624006723.db2.gz RACFFYRHULYAHF-AEFFLSMTSA-N 0 3 314.404 2.314 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cc2cccc(F)c2)C1 ZINC001021727009 624008597 /nfs/dbraw/zinc/00/85/97/624008597.db2.gz IONJRIJGWBKEPC-AEFFLSMTSA-N 0 3 314.404 2.314 20 30 DEEDHN COc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679030 624060746 /nfs/dbraw/zinc/06/07/46/624060746.db2.gz WCDIENAPPGFAFL-OAHLLOKOSA-N 0 3 314.385 2.395 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001021796170 624088600 /nfs/dbraw/zinc/08/86/00/624088600.db2.gz VZFIPOVVGLJYRT-HPEDKQMDSA-N 0 3 301.365 2.090 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971339042 624108751 /nfs/dbraw/zinc/10/87/51/624108751.db2.gz ASAYNNCUEHYSPC-SFHVURJKSA-N 0 3 322.412 2.243 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CC2CCC2)C1 ZINC001021929359 624139540 /nfs/dbraw/zinc/13/95/40/624139540.db2.gz GGIGBLQPBLLRAS-TXEJJXNPSA-N 0 3 301.228 2.322 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000971540257 624184275 /nfs/dbraw/zinc/18/42/75/624184275.db2.gz ROEMCIMEXGZZAP-QWHCGFSZSA-N 0 3 322.840 2.115 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2oc(CC3CC3)nc2C)C1 ZINC000971544026 624185335 /nfs/dbraw/zinc/18/53/35/624185335.db2.gz VWYCICFUBVBXIW-AWEZNQCLSA-N 0 3 303.406 2.268 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC000971578353 624189656 /nfs/dbraw/zinc/18/96/56/624189656.db2.gz 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DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001022530091 624710938 /nfs/dbraw/zinc/71/09/38/624710938.db2.gz RESHPPROYRZSKI-AOOOYVTPSA-N 0 3 300.811 2.360 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc3ncccc23)C1 ZINC000971931606 624720581 /nfs/dbraw/zinc/72/05/81/624720581.db2.gz MHRLVGFOQYXWOP-MRXNPFEDSA-N 0 3 309.413 2.496 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000972027178 624782717 /nfs/dbraw/zinc/78/27/17/624782717.db2.gz PUPKWSPTKVEASV-KRWDZBQOSA-N 0 3 310.401 2.205 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](C)Cc2cccnc2)c1C#N ZINC000934234877 624795138 /nfs/dbraw/zinc/79/51/38/624795138.db2.gz RGXSVZCVSNDUPF-ZDUSSCGKSA-N 0 3 309.369 2.461 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cc(OC)ccn3)C2)C1 ZINC001022674494 624813060 /nfs/dbraw/zinc/81/30/60/624813060.db2.gz BPFHHYFIYYUJCQ-OKILXGFUSA-N 0 3 315.417 2.183 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COc2ccc(CC)cc2)C1 ZINC001027670027 634417875 /nfs/dbraw/zinc/41/78/75/634417875.db2.gz 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/nfs/dbraw/zinc/07/16/15/625071615.db2.gz LIDCAWFBYLBEPB-IAGOWNOFSA-N 0 3 309.413 2.391 20 30 DEEDHN CNC(=O)C(C#N)C(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1 ZINC000892518217 625086852 /nfs/dbraw/zinc/08/68/52/625086852.db2.gz MEJLEIQDLCUQKH-NQBHXWOUSA-N 0 3 319.430 2.434 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001022909755 625090078 /nfs/dbraw/zinc/09/00/78/625090078.db2.gz WYEWJKAMRICAME-XQHKEYJVSA-N 0 3 315.255 2.424 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001022921560 625099454 /nfs/dbraw/zinc/09/94/54/625099454.db2.gz CJVBIICTDMSQKG-ZMLRMANQSA-N 0 3 323.824 2.402 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(Br)co2)C1 ZINC000972477394 625112981 /nfs/dbraw/zinc/11/29/81/625112981.db2.gz XUROQRAWODEZFF-LLVKDONJSA-N 0 3 313.195 2.374 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC001026163372 625164091 /nfs/dbraw/zinc/16/40/91/625164091.db2.gz OFMLEXYMIJKAIP-OKZBNKHCSA-N 0 3 309.413 2.295 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2noc3ccc(F)cc32)C1 ZINC000972528725 625187323 /nfs/dbraw/zinc/18/73/23/625187323.db2.gz BHFCNDIFZICNSA-CYBMUJFWSA-N 0 3 317.364 2.228 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3cnccc3c2)C[C@@H]1C ZINC000947547178 625203067 /nfs/dbraw/zinc/20/30/67/625203067.db2.gz OOUJIISKEKLPMN-WMLDXEAASA-N 0 3 322.412 2.236 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)OCC2CC2)c1 ZINC000120249526 625238198 /nfs/dbraw/zinc/23/81/98/625238198.db2.gz AOFABCCAVQDKHS-ABAIWWIYSA-N 0 3 316.357 2.158 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000972556067 625242122 /nfs/dbraw/zinc/24/21/22/625242122.db2.gz UOYMGGFPZOIPQP-HOCLYGCPSA-N 0 3 300.402 2.271 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000972557195 625242659 /nfs/dbraw/zinc/24/26/59/625242659.db2.gz CUIACKNEPXPDOI-CJNGLKHVSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001023396565 625252765 /nfs/dbraw/zinc/25/27/65/625252765.db2.gz UARAQIGJMJZDHR-HNNXBMFYSA-N 0 3 314.433 2.073 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2cn3cc(C)nc3s2)C1 ZINC001023414447 625260361 /nfs/dbraw/zinc/26/03/61/625260361.db2.gz RZCTUKYKDNLWCU-CYBMUJFWSA-N 0 3 318.446 2.332 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001023416787 625260611 /nfs/dbraw/zinc/26/06/11/625260611.db2.gz DZWBSSCQRQLHMD-LLVKDONJSA-N 0 3 310.829 2.253 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cnsn1 ZINC001025207190 625269536 /nfs/dbraw/zinc/26/95/36/625269536.db2.gz FSSQLQAMHHEUPO-KGLIPLIRSA-N 0 3 306.435 2.183 20 30 DEEDHN CC(C)=CCN1CCCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001024380299 625745403 /nfs/dbraw/zinc/74/54/03/625745403.db2.gz JSBVCHKDPANEQT-HNNXBMFYSA-N 0 3 300.406 2.437 20 30 DEEDHN CC1CC(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001025731032 625756446 /nfs/dbraw/zinc/75/64/46/625756446.db2.gz GMDMEORNVFIPRC-IFCBPSPQSA-N 0 3 309.413 2.151 20 30 DEEDHN C=C(C)CCN1C[C@H](NC(=O)c2cc(OC)no2)C(C)(C)C1 ZINC000974486348 625759669 /nfs/dbraw/zinc/75/96/69/625759669.db2.gz UWVPTTWVJWAXFT-ZDUSSCGKSA-N 0 3 307.394 2.090 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001024478921 625804418 /nfs/dbraw/zinc/80/44/18/625804418.db2.gz VSRASILJZLYPFR-OAHLLOKOSA-N 0 3 315.417 2.435 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC=C(C)C ZINC001024488449 625810923 /nfs/dbraw/zinc/81/09/23/625810923.db2.gz YWPFLTDDEJFLPR-ROUUACIJSA-N 0 3 317.477 2.021 20 30 DEEDHN C=C[C@@H](C(=O)N1CC[C@H](NCc2cncn2C)C1)c1ccccc1 ZINC001019805197 625836686 /nfs/dbraw/zinc/83/66/86/625836686.db2.gz WEZZLJIOVZGYIX-FUHWJXTLSA-N 0 3 324.428 2.080 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1COC ZINC001024528870 625845745 /nfs/dbraw/zinc/84/57/45/625845745.db2.gz NWTDKKNMCLURFC-KRWDZBQOSA-N 0 3 314.429 2.441 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001024542998 625860868 /nfs/dbraw/zinc/86/08/68/625860868.db2.gz DTGMOCCULLWZAK-MRXNPFEDSA-N 0 3 314.433 2.009 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)c(C)c3Cl)[C@@H]2C1 ZINC000978942201 634459714 /nfs/dbraw/zinc/45/97/14/634459714.db2.gz RKMDVGVIMGXMAU-PHZGNYQRSA-N 0 3 316.832 2.498 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001024587528 625911088 /nfs/dbraw/zinc/91/10/88/625911088.db2.gz KXZKQSPGSXCHJM-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C[C@@H]1C ZINC000947305922 625914831 /nfs/dbraw/zinc/91/48/31/625914831.db2.gz MZGQTLXHUHIDGK-UONOGXRCSA-N 0 3 304.438 2.312 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ncccc2F)C1 ZINC000999304781 634554757 /nfs/dbraw/zinc/55/47/57/634554757.db2.gz XDWSXVMWGMKALB-UHFFFAOYSA-N 0 3 311.788 2.095 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC000999611768 634645698 /nfs/dbraw/zinc/64/56/98/634645698.db2.gz HOYLWDFZORWXTC-UHFFFAOYSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cnn(C)c3)C[C@@H]2C1 ZINC000979524427 634669666 /nfs/dbraw/zinc/66/96/66/634669666.db2.gz YXILHQUVDHEREY-GZBFAFLISA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccnc2OCC)C1 ZINC000999774234 634673239 /nfs/dbraw/zinc/67/32/39/634673239.db2.gz KUGFLTLCGXMAQS-UHFFFAOYSA-N 0 3 323.824 2.425 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999877793 634698730 /nfs/dbraw/zinc/69/87/30/634698730.db2.gz WXVMCIIEQWNRKJ-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)CC1 ZINC001000077412 634733122 /nfs/dbraw/zinc/73/31/22/634733122.db2.gz LALTZGXAOZJZEK-KRWDZBQOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001000093523 634739494 /nfs/dbraw/zinc/73/94/94/634739494.db2.gz YDQKFIBYNMOAJQ-SJLPKXTDSA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccc(F)nc3)CC2)CC1 ZINC001000099571 634741189 /nfs/dbraw/zinc/74/11/89/634741189.db2.gz DQYGPWRNJGUJQK-UHFFFAOYSA-N 0 3 315.392 2.218 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@H](N[C@H](C)c3n[nH]c(C)n3)C2)C1 ZINC001000138374 634763959 /nfs/dbraw/zinc/76/39/59/634763959.db2.gz SZOLWCCFSCJDMF-OCCSQVGLSA-N 0 3 317.437 2.111 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCO[C@@H]3C(C)C)CC2)CC1 ZINC001000172770 634776010 /nfs/dbraw/zinc/77/60/10/634776010.db2.gz POLWUXYJBJOIBC-DLBZAZTESA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2OC)C[C@@H]1C ZINC000947949722 634790490 /nfs/dbraw/zinc/79/04/90/634790490.db2.gz ZKVHGRQJQALBLE-LSDHHAIUSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc(C#C)cc3)CC2)CC1 ZINC001000225562 634802227 /nfs/dbraw/zinc/80/22/27/634802227.db2.gz AOMBUQNCRKPJGJ-UHFFFAOYSA-N 0 3 306.409 2.276 20 30 DEEDHN CCn1c(C)nnc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000102206937 649987918 /nfs/dbraw/zinc/98/79/18/649987918.db2.gz CHXOQYUXTGANJA-JTQLQIEISA-N 0 3 321.431 2.340 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000836258097 650072533 /nfs/dbraw/zinc/07/25/33/650072533.db2.gz DZZNPKIHVYPUOT-MRXNPFEDSA-N 0 3 317.433 2.017 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)[C@H](C)C1 ZINC000945808371 633006017 /nfs/dbraw/zinc/00/60/17/633006017.db2.gz OQSPFJGZMSGUOL-CRAIPNDOSA-N 0 3 313.445 2.216 20 30 DEEDHN Cc1cc(CN[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)sn1 ZINC000995800059 633119148 /nfs/dbraw/zinc/11/91/48/633119148.db2.gz USOOHRRDMYBTNC-HNNXBMFYSA-N 0 3 317.458 2.192 20 30 DEEDHN Cc1ccncc1CN[C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995800530 633119454 /nfs/dbraw/zinc/11/94/54/633119454.db2.gz ZVUYDCOZLNKFBR-QGZVFWFLSA-N 0 3 311.429 2.130 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001026831069 633153539 /nfs/dbraw/zinc/15/35/39/633153539.db2.gz RBTGXZNJKJOGEJ-SWLSCSKDSA-N 0 3 319.355 2.152 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000996135821 633187649 /nfs/dbraw/zinc/18/76/49/633187649.db2.gz MYWDXWHARDFVFY-HNNXBMFYSA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(F)cccc2OC)C(C)(C)C1 ZINC000974620766 633188003 /nfs/dbraw/zinc/18/80/03/633188003.db2.gz NLTUVWUEOQYTEP-HNNXBMFYSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nccc3cccnc32)C(C)(C)C1 ZINC000974672727 633222272 /nfs/dbraw/zinc/22/22/72/633222272.db2.gz CVZIVISGUIQGCS-OAHLLOKOSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@@H](C)OC)CC1(C)C ZINC000974678519 633230576 /nfs/dbraw/zinc/23/05/76/633230576.db2.gz BXVGPWOTBGLBIF-GDBMZVCRSA-N 0 3 319.449 2.149 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)ccc2F)C(C)(C)C1 ZINC000974693410 633244288 /nfs/dbraw/zinc/24/42/88/633244288.db2.gz XJQFJPUIHMVRQH-HNNXBMFYSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CN([C@@H](C)COC)CC1(C)C ZINC000974693996 633244867 /nfs/dbraw/zinc/24/48/67/633244867.db2.gz YGVPSADMJCHMFL-HOCLYGCPSA-N 0 3 319.449 2.149 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2coc(OCC)n2)C(C)(C)C1 ZINC000974774986 633298810 /nfs/dbraw/zinc/29/88/10/633298810.db2.gz NRNLKSVAVWKSSC-CYBMUJFWSA-N 0 3 307.394 2.090 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3ccc(C)cn32)C(C)(C)C1 ZINC000974827258 633321444 /nfs/dbraw/zinc/32/14/44/633321444.db2.gz MIUXCYAUTCRLKW-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001027041141 633366905 /nfs/dbraw/zinc/36/69/05/633366905.db2.gz PVIGNHBDOPGWJD-CRAIPNDOSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNCc2cnc(C)cn2)C1 ZINC001027041474 633367727 /nfs/dbraw/zinc/36/77/27/633367727.db2.gz WIZNISIXEYPEMM-CRAIPNDOSA-N 0 3 316.449 2.325 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc[nH]c2CCC)C(C)(C)C1 ZINC000974960190 633382670 /nfs/dbraw/zinc/38/26/70/633382670.db2.gz XCTBUFLIXCFGMY-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCCC2)cc1C ZINC000124443938 633384562 /nfs/dbraw/zinc/38/45/62/633384562.db2.gz GHTFWTNHXUJSAM-OAHLLOKOSA-N 0 3 300.358 2.014 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nccc3[nH]ccc32)C(C)(C)C1 ZINC000975051037 633409023 /nfs/dbraw/zinc/40/90/23/633409023.db2.gz SLZCAGOJOBBRHP-OAHLLOKOSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(CC)cn2)C(C)(C)C1 ZINC000975073997 633417156 /nfs/dbraw/zinc/41/71/56/633417156.db2.gz SDXOSWHZATYSKU-QGZVFWFLSA-N 0 3 313.445 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC000996869229 633472161 /nfs/dbraw/zinc/47/21/61/633472161.db2.gz FGXFLHOIFIKMJR-UHFFFAOYSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCN1CCC(NC(=S)Nc2ccc3c(c2)OCO3)CC1 ZINC000735240197 633493298 /nfs/dbraw/zinc/49/32/98/633493298.db2.gz NXMSPFBDLNVKOS-UHFFFAOYSA-N 0 3 319.430 2.352 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C)CC1 ZINC000996978824 633547212 /nfs/dbraw/zinc/54/72/12/633547212.db2.gz KIPWFDFJEBJUCB-UKRRQHHQSA-N 0 3 313.873 2.050 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3ncccc3o2)CC1 ZINC000997228348 633681498 /nfs/dbraw/zinc/68/14/98/633681498.db2.gz GOAWQKIHRHVZBH-CYBMUJFWSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnnc3ccccc32)CC1 ZINC000997322159 633699936 /nfs/dbraw/zinc/69/99/36/633699936.db2.gz XBPGRUGUDJYYFP-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccncc2Cl)CC1 ZINC000997322029 633700001 /nfs/dbraw/zinc/70/00/01/633700001.db2.gz WDQGZVHETQMAOZ-GFCCVEGCSA-N 0 3 305.809 2.199 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000997339745 633708126 /nfs/dbraw/zinc/70/81/26/633708126.db2.gz UHVZQEQUVAUDBQ-UHFFFAOYSA-N 0 3 322.412 2.210 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C(F)F)nc2)C1 ZINC001027437172 633783563 /nfs/dbraw/zinc/78/35/63/633783563.db2.gz LJSZDDTZKKLSDW-ZDUSSCGKSA-N 0 3 307.344 2.189 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccnn2C(CC)CC)C1 ZINC001027440750 633790860 /nfs/dbraw/zinc/79/08/60/633790860.db2.gz KBFCAEMZGIEGME-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccncc3s2)C1 ZINC001027442628 633797421 /nfs/dbraw/zinc/79/74/21/633797421.db2.gz ZIIZQHLZXTTYBH-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000997588310 633888123 /nfs/dbraw/zinc/88/81/23/633888123.db2.gz DOVQYNPPDRIFKM-SZMVWBNQSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001027498286 633895943 /nfs/dbraw/zinc/89/59/43/633895943.db2.gz WYLUTRIOMOGKKB-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(F)cccc2OC)CC1 ZINC000997604047 633896580 /nfs/dbraw/zinc/89/65/80/633896580.db2.gz IXYYSRFPTACIJX-ZDUSSCGKSA-N 0 3 318.392 2.298 20 30 DEEDHN Cc1nc(CNCC2CCN(C(=O)[C@@H](C)C#N)CC2)sc1C ZINC000997616737 633900864 /nfs/dbraw/zinc/90/08/64/633900864.db2.gz FITPRZAKRJCHAJ-NSHDSACASA-N 0 3 320.462 2.248 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001027512751 633947536 /nfs/dbraw/zinc/94/75/36/633947536.db2.gz WSVDSZULMCHEIO-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN Cc1cnc(CNCC2CCN(C(=O)C#CC3CC3)CC2)s1 ZINC000997764782 633966620 /nfs/dbraw/zinc/96/66/20/633966620.db2.gz AKDHBMHPOMPFEI-UHFFFAOYSA-N 0 3 317.458 2.193 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccn(C(C)C)n2)CC1 ZINC000997778320 633972038 /nfs/dbraw/zinc/97/20/38/633972038.db2.gz GSOKHDPGKFGNCT-HNNXBMFYSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)nn2C)C(C)(C)C1 ZINC000977421344 633980799 /nfs/dbraw/zinc/98/07/99/633980799.db2.gz JVBNRFJZCGQUKD-INIZCTEOSA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C(C)(C)C1 ZINC000977484470 634005530 /nfs/dbraw/zinc/00/55/30/634005530.db2.gz IONNFBVPKAIJEZ-QGZVFWFLSA-N 0 3 313.445 2.357 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000997886433 634020500 /nfs/dbraw/zinc/02/05/00/634020500.db2.gz IZKRKDNONQEJNZ-DOTOQJQBSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)C(C)(C)C1 ZINC000977538197 634032156 /nfs/dbraw/zinc/03/21/56/634032156.db2.gz DBFQUDVNPZQCEO-QGZVFWFLSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(C)n2C)CC1 ZINC000997917077 634054357 /nfs/dbraw/zinc/05/43/57/634054357.db2.gz SCHOWRXMMQMYBR-MRXNPFEDSA-N 0 3 301.434 2.283 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC001027548167 634080207 /nfs/dbraw/zinc/08/02/07/634080207.db2.gz GATRHDGNGCZOJV-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CC2CCC(OC)CC2)C(C)(C)C1 ZINC000977659376 634084949 /nfs/dbraw/zinc/08/49/49/634084949.db2.gz AHBHAKRBZDDVIV-OFLPRAFFSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2n[nH]c(C)c2C)CC1 ZINC000997967551 634085256 /nfs/dbraw/zinc/08/52/56/634085256.db2.gz ZTSWXBDILGTEKM-MRXNPFEDSA-N 0 3 316.449 2.366 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cnc(C)n2C)CC1 ZINC000998093402 634139254 /nfs/dbraw/zinc/13/92/54/634139254.db2.gz ISVVPKYKCSRYGT-INIZCTEOSA-N 0 3 316.449 2.068 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2[nH]cnc2C)CC1 ZINC000998213422 634169976 /nfs/dbraw/zinc/16/99/76/634169976.db2.gz XJGZKHAOOHACFG-HNNXBMFYSA-N 0 3 302.422 2.058 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027576749 634178325 /nfs/dbraw/zinc/17/83/25/634178325.db2.gz VWBQNQHMVOHIIN-UKRRQHHQSA-N 0 3 313.873 2.004 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc[nH]c2C)CC[C@H]1C(F)(F)F ZINC000998256640 634191392 /nfs/dbraw/zinc/19/13/92/634191392.db2.gz MOGKZMDDSNKAAK-CHWSQXEVSA-N 0 3 315.339 2.492 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccns2)CC[C@H]1C(F)(F)F ZINC000998272776 634196932 /nfs/dbraw/zinc/19/69/32/634196932.db2.gz ZNJXBMMPQZBUQM-ZJUUUORDSA-N 0 3 319.352 2.312 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001027593112 634233731 /nfs/dbraw/zinc/23/37/31/634233731.db2.gz FBKGUQLNABRCCT-MOPGFXCFSA-N 0 3 310.441 2.348 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(F)c(C(F)F)c3)[C@@H]2C1 ZINC000978189386 634235816 /nfs/dbraw/zinc/23/58/16/634235816.db2.gz CYJADTJXGKABNA-ZSOGYDGISA-N 0 3 322.330 2.304 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c(C)noc2C)C1 ZINC001027604008 634262738 /nfs/dbraw/zinc/26/27/38/634262738.db2.gz CCGAZPUQJWDPGU-CJNGLKHVSA-N 0 3 317.433 2.026 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001027612735 634291892 /nfs/dbraw/zinc/29/18/92/634291892.db2.gz ORSPPBXITYUQNB-GOSISDBHSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnn(CCCC)c2C)C1 ZINC001027643118 634374241 /nfs/dbraw/zinc/37/42/41/634374241.db2.gz GDEIBWSUJRFNCK-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3c[nH]nc3C)C[C@@H]2C1 ZINC000980163996 634872108 /nfs/dbraw/zinc/87/21/08/634872108.db2.gz SLQSFYUBDYWDPJ-MJBXVCDLSA-N 0 3 322.840 2.301 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001027895807 634894775 /nfs/dbraw/zinc/89/47/75/634894775.db2.gz BMANOGNDTAODAU-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C[C@H]1C[C@H](CNCc2cc(F)ccc2C#N)CN1C(=O)C1CC1 ZINC000980266275 634921921 /nfs/dbraw/zinc/92/19/21/634921921.db2.gz JTOUIMSHYOKXOW-QWHCGFSZSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3[nH]cnc3C)C[C@H]2C1 ZINC000980280681 634928547 /nfs/dbraw/zinc/92/85/47/634928547.db2.gz UVCFNWAHAOEJEN-IHRRRGAJSA-N 0 3 322.840 2.301 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(OCC)cc2)C1 ZINC000980324270 634953302 /nfs/dbraw/zinc/95/33/02/634953302.db2.gz CQMNKKSUGWCOHK-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccc(C)cc2OC)C1 ZINC000980340692 634960642 /nfs/dbraw/zinc/96/06/42/634960642.db2.gz DLNQJTFPPUYHPM-HNNXBMFYSA-N 0 3 318.417 2.101 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001027967618 635110128 /nfs/dbraw/zinc/11/01/28/635110128.db2.gz VWPPWBTUDKHRIP-WMZOPIPTSA-N 0 3 313.445 2.280 20 30 DEEDHN C#CCN(C(=O)NCCCc1cccs1)C1CCN(C)CC1 ZINC000921749975 635127629 /nfs/dbraw/zinc/12/76/29/635127629.db2.gz JGVUWMJXSCWCHF-UHFFFAOYSA-N 0 3 319.474 2.420 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cc(CC)on3)CC2)CC1 ZINC001000314317 635143001 /nfs/dbraw/zinc/14/30/01/635143001.db2.gz KLMOTZOCSMSFCB-UHFFFAOYSA-N 0 3 315.417 2.235 20 30 DEEDHN CCc1ccccc1CCN1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848678 635187842 /nfs/dbraw/zinc/18/78/42/635187842.db2.gz ADVUYFUDUCBPRW-INIZCTEOSA-N 0 3 313.445 2.485 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)C[C@@H]1C ZINC000947726026 635280667 /nfs/dbraw/zinc/28/06/67/635280667.db2.gz HOOFSBYFSIISNG-ZFWWWQNUSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c2OCC3)C[C@H]1C ZINC000947726025 635280750 /nfs/dbraw/zinc/28/07/50/635280750.db2.gz HOOFSBYFSIISNG-UKRRQHHQSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc3onc(C)c3c2)CC1 ZINC001001028496 635390344 /nfs/dbraw/zinc/39/03/44/635390344.db2.gz RXAIHVLDGIXAKN-UHFFFAOYSA-N 0 3 312.373 2.079 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001028058558 635390897 /nfs/dbraw/zinc/39/08/97/635390897.db2.gz IJJBZQJGDIMIMI-CYBMUJFWSA-N 0 3 313.357 2.152 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC001001080732 635401375 /nfs/dbraw/zinc/40/13/75/635401375.db2.gz PEYNJFQXLOVZPA-XJKSGUPXSA-N 0 3 314.433 2.010 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000981246512 635403382 /nfs/dbraw/zinc/40/33/82/635403382.db2.gz ACLOLVUUNXDRIM-UHFFFAOYSA-N 0 3 312.364 2.392 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccccc2-n2cccn2)CC1 ZINC001001193758 635421214 /nfs/dbraw/zinc/42/12/14/635421214.db2.gz MLTIQPOZRXPOMK-UHFFFAOYSA-N 0 3 322.412 2.420 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2noc3c2CCCCC3)CC1 ZINC001001215602 635429160 /nfs/dbraw/zinc/42/91/60/635429160.db2.gz DFASQJQAZABVGW-UHFFFAOYSA-N 0 3 315.417 2.491 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cccc3c2COCC3)CC1 ZINC000981310907 635431521 /nfs/dbraw/zinc/43/15/21/635431521.db2.gz LTWOHGDULCBJPQ-UHFFFAOYSA-N 0 3 314.429 2.483 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC001001396445 635476883 /nfs/dbraw/zinc/47/68/83/635476883.db2.gz QSLBASZSUNLAMU-UKRRQHHQSA-N 0 3 300.402 2.478 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3c(o2)CCCC3)CC1 ZINC001001477282 635516628 /nfs/dbraw/zinc/51/66/28/635516628.db2.gz QPXKUYOMLWWFLW-UHFFFAOYSA-N 0 3 300.402 2.233 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001001664409 635538759 /nfs/dbraw/zinc/53/87/59/635538759.db2.gz UNLGVTUHYFNFGV-UHFFFAOYSA-N 0 3 313.445 2.472 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2conc2C2CC2)CC1 ZINC001001821476 635555952 /nfs/dbraw/zinc/55/59/52/635555952.db2.gz FDIHXTASYNSTEA-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3cnccc3n2)CC1 ZINC001001884653 635567850 /nfs/dbraw/zinc/56/78/50/635567850.db2.gz DOTMIAFVKPXPHI-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2csc(C(C)C)n2)CC1 ZINC001001943397 635580580 /nfs/dbraw/zinc/58/05/80/635580580.db2.gz QDWNALFIMYMRBP-UHFFFAOYSA-N 0 3 305.447 2.342 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC001002057495 635614904 /nfs/dbraw/zinc/61/49/04/635614904.db2.gz MSXDOEAFBOVYDN-UHFFFAOYSA-N 0 3 301.434 2.288 20 30 DEEDHN CNC(=O)C(C)(C)CNCc1cc(C#N)ccc1Br ZINC000921915001 635703655 /nfs/dbraw/zinc/70/36/55/635703655.db2.gz OPTIBZPMDQYLLW-UHFFFAOYSA-N 0 3 324.222 2.183 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000981951326 635758804 /nfs/dbraw/zinc/75/88/04/635758804.db2.gz XORGOKWRCOSGDB-UHFFFAOYSA-N 0 3 319.453 2.147 20 30 DEEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1scnc1COC ZINC001028183661 635787003 /nfs/dbraw/zinc/78/70/03/635787003.db2.gz BCHKOHIVSBTMRT-GFCCVEGCSA-N 0 3 309.435 2.060 20 30 DEEDHN C=CCN1CCC(NC(=O)c2csc([C@@H](C)OC)n2)CC1 ZINC001002825260 635810301 /nfs/dbraw/zinc/81/03/01/635810301.db2.gz XKDKFIICVLJLPT-LLVKDONJSA-N 0 3 309.435 2.231 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028209519 635829070 /nfs/dbraw/zinc/82/90/70/635829070.db2.gz HNKMJXOBJBGVIF-KRWDZBQOSA-N 0 3 307.397 2.452 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnn(CCC)c3C)C2)C1 ZINC000982083414 635855397 /nfs/dbraw/zinc/85/53/97/635855397.db2.gz KPXUWYMZCVQRTM-UHFFFAOYSA-N 0 3 316.449 2.326 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3ccccc3OC)C2)C1 ZINC000982141436 635886618 /nfs/dbraw/zinc/88/66/18/635886618.db2.gz FKNUAHXUYREVGI-UHFFFAOYSA-N 0 3 314.429 2.348 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000982173479 635899638 /nfs/dbraw/zinc/89/96/38/635899638.db2.gz ONPYCBBCVKSTAF-JYJNAYRXSA-N 0 3 312.429 2.250 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)/C=C/c3ccc[nH]3)C[C@]2(C)C1 ZINC000982268828 635932880 /nfs/dbraw/zinc/93/28/80/635932880.db2.gz DADUPMZBJUFUDL-DVMSICGOSA-N 0 3 311.429 2.222 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)C(F)(F)F)CCO2 ZINC000949162291 635937348 /nfs/dbraw/zinc/93/73/48/635937348.db2.gz SSYHVRGHDODLOU-LBPRGKRZSA-N 0 3 320.355 2.064 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccncc2OC(C)C)CC1 ZINC001003372413 635944409 /nfs/dbraw/zinc/94/44/09/635944409.db2.gz JNPXFMMYODKQMF-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3c(C)[nH]nc3Cl)C[C@]2(C)C1 ZINC000982293559 635951531 /nfs/dbraw/zinc/95/15/31/635951531.db2.gz APORNESLGKHWHZ-IYBDPMFKSA-N 0 3 322.840 2.342 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cc(Cl)cn3C)C[C@]2(C)C1 ZINC000982355504 635990665 /nfs/dbraw/zinc/99/06/65/635990665.db2.gz LWOUOXZEHKUDNW-CALCHBBNSA-N 0 3 319.836 2.096 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001028287413 636054068 /nfs/dbraw/zinc/05/40/68/636054068.db2.gz LGKXQBQGGCGFJT-GFCCVEGCSA-N 0 3 301.415 2.447 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001028289737 636080770 /nfs/dbraw/zinc/08/07/70/636080770.db2.gz ITNMXJTWSOOKGQ-CABCVRRESA-N 0 3 316.449 2.236 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000982463197 636099751 /nfs/dbraw/zinc/09/97/51/636099751.db2.gz KHJKBVRMLUNNIK-ZHRFWQDRSA-N 0 3 300.446 2.226 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001028313206 636125487 /nfs/dbraw/zinc/12/54/87/636125487.db2.gz WHDCNTFSMUBOQC-INIZCTEOSA-N 0 3 301.390 2.025 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001028337921 636137613 /nfs/dbraw/zinc/13/76/13/636137613.db2.gz UNZBJFGOBKAOCN-GRTSSRMGSA-N 0 3 314.351 2.323 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001028347136 636143614 /nfs/dbraw/zinc/14/36/14/636143614.db2.gz 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ZINC000990154308 641375816 /nfs/dbraw/zinc/37/58/16/641375816.db2.gz YKGQCLFNUAFUFI-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN CN(C)c1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000842153534 650660754 /nfs/dbraw/zinc/66/07/54/650660754.db2.gz OLCNDXASXUMGCD-KRWDZBQOSA-N 0 3 310.401 2.185 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3ccc(C)o3)CCC[C@@H]12 ZINC000990288434 641426961 /nfs/dbraw/zinc/42/69/61/641426961.db2.gz LJCALEXJHORJPB-AEFFLSMTSA-N 0 3 300.402 2.267 20 30 DEEDHN CN(C[C@H](O)c1ccc(F)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150822 650660524 /nfs/dbraw/zinc/66/05/24/650660524.db2.gz KFCFNXACLVLOSU-ZWKOTPCHSA-N 0 3 314.360 2.396 20 30 DEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCOC[C@@H]1C ZINC000772821050 641695519 /nfs/dbraw/zinc/69/55/19/641695519.db2.gz INFMGABMIGGWDF-ZDUSSCGKSA-N 0 3 311.389 2.194 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC000773036191 641720212 /nfs/dbraw/zinc/72/02/12/641720212.db2.gz XYCROBJRFRDMQC-KJGCVMFHSA-N 0 3 312.413 2.359 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1CCCC(C)(C)O1)C1CCN(C)CC1 ZINC000898635584 641733689 /nfs/dbraw/zinc/73/36/89/641733689.db2.gz CIZSHCNYGCDPCY-MRXNPFEDSA-N 0 3 321.465 2.073 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C2CCC(C)([NH+]3CCC3)CC2)c1[O-] ZINC000899227067 641996744 /nfs/dbraw/zinc/99/67/44/641996744.db2.gz DWQLYDZJCVHSOS-RGVLZGJSSA-N 0 3 317.433 2.414 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(F)c1)[C@@H]1CCCO1 ZINC000775572516 642061454 /nfs/dbraw/zinc/06/14/54/642061454.db2.gz BIDUEQVTOKOHRC-KCXAZCMYSA-N 0 3 304.365 2.313 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)nc1 ZINC000775825224 642102493 /nfs/dbraw/zinc/10/24/93/642102493.db2.gz IRDAVEPCGPOHKM-OAHLLOKOSA-N 0 3 307.397 2.313 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nnc(-c3ccco3)o2)CC1 ZINC000900598845 642417582 /nfs/dbraw/zinc/41/75/82/642417582.db2.gz LTKFINSSBLBQHC-UHFFFAOYSA-N 0 3 316.361 2.100 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@H](C#N)C2)cc1 ZINC000900639934 642431776 /nfs/dbraw/zinc/43/17/76/642431776.db2.gz PQOAODJWLNHCHX-PBHICJAKSA-N 0 3 315.417 2.496 20 30 DEEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000778999685 642453400 /nfs/dbraw/zinc/45/34/00/642453400.db2.gz JRNGEVGCGMFFNP-GOEBONIOSA-N 0 3 300.402 2.353 20 30 DEEDHN CCN(CCO)N=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000842534794 650762166 /nfs/dbraw/zinc/76/21/66/650762166.db2.gz YWKNNISEGBPZSR-UHFFFAOYSA-N 0 3 319.449 2.329 20 30 DEEDHN N#Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)nc1 ZINC000782020280 642812613 /nfs/dbraw/zinc/81/26/13/642812613.db2.gz RDKXCGYEBUCPGN-UHFFFAOYSA-N 0 3 320.396 2.479 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1ccnc(C)n1 ZINC000842683263 650803676 /nfs/dbraw/zinc/80/36/76/650803676.db2.gz IQGVKOALYQFURC-HNNXBMFYSA-N 0 3 316.405 2.123 20 30 DEEDHN CC[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C#N)c1 ZINC000902776025 643140918 /nfs/dbraw/zinc/14/09/18/643140918.db2.gz CNNHTAINSPZDNB-JKSUJKDBSA-N 0 3 321.446 2.023 20 30 DEEDHN CO[C@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536266 643381431 /nfs/dbraw/zinc/38/14/31/643381431.db2.gz ZVKOHEBAYWCVPV-RISCZKNCSA-N 0 3 322.792 2.480 20 30 DEEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)O1 ZINC000786550906 643383441 /nfs/dbraw/zinc/38/34/41/643383441.db2.gz RRBQWKOKLJHFPU-OWCLPIDISA-N 0 3 314.385 2.278 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)COC(C)C)c1ccccc1 ZINC000787046977 643444094 /nfs/dbraw/zinc/44/40/94/643444094.db2.gz URCNXHNEFSIVGG-LSDHHAIUSA-N 0 3 302.374 2.388 20 30 DEEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000787065481 643447029 /nfs/dbraw/zinc/44/70/29/643447029.db2.gz RGOPKRAQRNCKDG-RISCZKNCSA-N 0 3 317.345 2.356 20 30 DEEDHN COC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CCCO1 ZINC000788535127 643621392 /nfs/dbraw/zinc/62/13/92/643621392.db2.gz KHCNWKWFPZQVPA-COXVUDFISA-N 0 3 304.390 2.261 20 30 DEEDHN COc1cccc(/C=N/[C@@H]2CCCN3CCSC[C@@H]23)c1O ZINC000905002364 643760497 /nfs/dbraw/zinc/76/04/97/643760497.db2.gz HOKDLZUJAHHSIP-QEIRAGPASA-N 0 3 306.431 2.400 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\C2CC(CC(N)=O)C2)c([O-])c1 ZINC000905003697 643761047 /nfs/dbraw/zinc/76/10/47/643761047.db2.gz ZRSYLGKLTRKKNW-ODLFYWEKSA-N 0 3 303.406 2.311 20 30 DEEDHN CCOC(=O)c1[nH]c(C)c(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905086677 643780434 /nfs/dbraw/zinc/78/04/34/643780434.db2.gz SGOIWWPJHCUHPJ-PQTFEYQYSA-N 0 3 314.345 2.241 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1 ZINC000906823558 644366957 /nfs/dbraw/zinc/36/69/57/644366957.db2.gz PLCZFWACEQEBKT-UHFFFAOYSA-N 0 3 320.458 2.161 20 30 DEEDHN COc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1C#N ZINC000907086206 644444619 /nfs/dbraw/zinc/44/46/19/644444619.db2.gz MFGUBSJQWHREIQ-UHFFFAOYSA-N 0 3 315.417 2.448 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cc(C)c(C#N)c(C)c2)C[C@@H]1N(C)C ZINC000907145746 644460637 /nfs/dbraw/zinc/46/06/37/644460637.db2.gz HDVSDKQDRJSBMO-JKSUJKDBSA-N 0 3 317.458 2.293 20 30 DEEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000795329812 644553520 /nfs/dbraw/zinc/55/35/20/644553520.db2.gz RJNGBZFGQMBILP-DOTOQJQBSA-N 0 3 309.413 2.162 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000908364202 644835718 /nfs/dbraw/zinc/83/57/18/644835718.db2.gz YVXPKKQUCKFRPO-IHHMQQGQSA-N 0 3 312.413 2.288 20 30 DEEDHN C#CCCCc1nnc(N(C)[C@@H]2CCN(C3CC3)C2)n1CC=C ZINC000908728382 644983237 /nfs/dbraw/zinc/98/32/37/644983237.db2.gz WYFUJKCVKLSNPU-MRXNPFEDSA-N 0 3 313.449 2.093 20 30 DEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C=NOC)cc1 ZINC000798265714 644993538 /nfs/dbraw/zinc/99/35/38/644993538.db2.gz IMRVFLFNHBQNAX-MRXNPFEDSA-N 0 3 303.406 2.223 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](c3ccccn3)C2)cc1 ZINC000799196295 645143322 /nfs/dbraw/zinc/14/33/22/645143322.db2.gz QONIGHRSQLFBLB-DLBZAZTESA-N 0 3 323.396 2.182 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc4[nH]ccc4c3)CCC[C@@H]12 ZINC000991207681 645226248 /nfs/dbraw/zinc/22/62/48/645226248.db2.gz JKWRITWNMLCXNG-QAPCUYQASA-N 0 3 310.401 2.427 20 30 DEEDHN COC(=O)NCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000103640408 645344336 /nfs/dbraw/zinc/34/43/36/645344336.db2.gz RYQFXLRLBXYAMD-MRVPVSSYSA-N 0 3 323.761 2.482 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000801924603 645462586 /nfs/dbraw/zinc/46/25/86/645462586.db2.gz RQQCQEAGBLRBTR-CVEARBPZSA-N 0 3 315.417 2.057 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000801954637 645469120 /nfs/dbraw/zinc/46/91/20/645469120.db2.gz KPHPQZHWDLMYFX-WBVHZDCISA-N 0 3 311.385 2.108 20 30 DEEDHN C=C(C)CNC(=S)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000044158240 645888632 /nfs/dbraw/zinc/88/86/32/645888632.db2.gz TWCJDOXDXVRZQB-UHFFFAOYSA-N 0 3 316.474 2.372 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000912031513 645911392 /nfs/dbraw/zinc/91/13/92/645911392.db2.gz GZGCZZBVKQZFMV-HNNXBMFYSA-N 0 3 317.433 2.384 20 30 DEEDHN CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCN(C)C1 ZINC000843987271 651058596 /nfs/dbraw/zinc/05/85/96/651058596.db2.gz CNKRXNBZAKYKHG-INIZCTEOSA-N 0 3 315.417 2.074 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000912483728 646086619 /nfs/dbraw/zinc/08/66/19/646086619.db2.gz CLWVSRPDAXVDPE-OAHLLOKOSA-N 0 3 317.389 2.261 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001030028143 646223443 /nfs/dbraw/zinc/22/34/43/646223443.db2.gz AXLPLGQXIZBWHE-QXCFHYIPSA-N 0 3 308.425 2.176 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913097143 646265514 /nfs/dbraw/zinc/26/55/14/646265514.db2.gz FDRIGFZVLKAKRC-WDYCEAGBSA-N 0 3 316.445 2.340 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1C ZINC000947324732 646479250 /nfs/dbraw/zinc/47/92/50/646479250.db2.gz UUKCIMHTOZWSCI-ZIAGYGMSSA-N 0 3 316.449 2.313 20 30 DEEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNC[C@@H]1CCSC1 ZINC000811658439 646556120 /nfs/dbraw/zinc/55/61/20/646556120.db2.gz JZYDNOGBYGVQLT-ZDUSSCGKSA-N 0 3 315.446 2.440 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nc(C)c(C)nc3C)CCC[C@@H]12 ZINC000991748620 646609038 /nfs/dbraw/zinc/60/90/38/646609038.db2.gz LLOJURCZBCZDQW-CRAIPNDOSA-N 0 3 314.433 2.315 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000948766820 646616932 /nfs/dbraw/zinc/61/69/32/646616932.db2.gz OLKHLYVSQWVVJV-HNNXBMFYSA-N 0 3 315.417 2.045 20 30 DEEDHN CC(C)(C)c1nc(CC(=O)C(C#N)C(=O)N2CCCC2)cs1 ZINC000170672273 646657520 /nfs/dbraw/zinc/65/75/20/646657520.db2.gz MZSHMSKHJGFFAT-GFCCVEGCSA-N 0 3 319.430 2.314 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CCC[C@@H]12 ZINC000991912317 646738154 /nfs/dbraw/zinc/73/81/54/646738154.db2.gz VMUZBUSYKVKVSA-ZNFSNMQZSA-N 0 3 304.434 2.101 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3sc(C)nc3C)CCC[C@@H]12 ZINC000991934801 646779100 /nfs/dbraw/zinc/77/91/00/646779100.db2.gz PRJPXDIARWXSNR-NVXWUHKLSA-N 0 3 317.458 2.049 20 30 DEEDHN CC(C)[C@H](C(=O)NCc1ccc(C#N)cn1)N1CCCCC1 ZINC000813706991 646801651 /nfs/dbraw/zinc/80/16/51/646801651.db2.gz BJDDGWRUVSEFSK-MRXNPFEDSA-N 0 3 300.406 2.080 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3cncc(C)c3)CCC[C@@H]12 ZINC000992026845 646832904 /nfs/dbraw/zinc/83/29/04/646832904.db2.gz BMZPVUPGWMZIES-MJGOQNOKSA-N 0 3 311.429 2.069 20 30 DEEDHN N#Cc1cc(Cl)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000929511851 646845619 /nfs/dbraw/zinc/84/56/19/646845619.db2.gz VNNYERLOYGIQCC-IRXDYDNUSA-N 0 3 319.836 2.243 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)NC1CCC1 ZINC000814196236 646861272 /nfs/dbraw/zinc/86/12/72/646861272.db2.gz ZHUCLRRXZIUIHD-UHFFFAOYSA-N 0 3 316.474 2.349 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4n[nH]cc4c3)CCC[C@@H]12 ZINC000992146926 646872358 /nfs/dbraw/zinc/87/23/58/646872358.db2.gz MNSHEVVIPFHHSW-AEFFLSMTSA-N 0 3 310.401 2.476 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C(F)F)n[nH]3)CCC[C@H]12 ZINC000992164448 646879692 /nfs/dbraw/zinc/87/96/92/646879692.db2.gz CJKZUSWKKHJYAF-SWLSCSKDSA-N 0 3 310.348 2.260 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4nonc4c3)CCC[C@@H]12 ZINC000992165345 646880779 /nfs/dbraw/zinc/88/07/79/646880779.db2.gz DBPPSVJBIZKVFD-WBVHZDCISA-N 0 3 312.373 2.136 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3coc(C4CC4)n3)CCC[C@H]12 ZINC000992283215 646928442 /nfs/dbraw/zinc/92/84/42/646928442.db2.gz FFNYUFFOMHTQQT-WMLDXEAASA-N 0 3 301.390 2.465 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(C4CC4)n3)CCC[C@@H]12 ZINC000992294362 646933374 /nfs/dbraw/zinc/93/33/74/646933374.db2.gz GJGFFKHAFDCUND-QAPCUYQASA-N 0 3 312.417 2.267 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccn4ccnc34)CCC[C@H]12 ZINC000992321091 646944973 /nfs/dbraw/zinc/94/49/73/646944973.db2.gz DZQOQVWYUCOXLQ-LPHOPBHVSA-N 0 3 322.412 2.084 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)n(C)c3C)CCC[C@H]12 ZINC000992464207 647035951 /nfs/dbraw/zinc/03/59/51/647035951.db2.gz LFJBMOIWLOSXHG-HKUYNNGSSA-N 0 3 313.445 2.392 20 30 DEEDHN C#CCN(C(=O)N[C@H](C)c1ccc(C)o1)C1CCN(C)CC1 ZINC000913911867 647096051 /nfs/dbraw/zinc/09/60/51/647096051.db2.gz JWWGDVZZAMKKEA-CQSZACIVSA-N 0 3 303.406 2.388 20 30 DEEDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)CC(C)(C)C#N ZINC000914024630 647134607 /nfs/dbraw/zinc/13/46/07/647134607.db2.gz NFJGHSOGYFHVTB-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015267531 647168531 /nfs/dbraw/zinc/16/85/31/647168531.db2.gz JDDFKSTXISDKIN-LBPRGKRZSA-N 0 3 305.447 2.402 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2COc3ccc(Cl)cc32)C1 ZINC001015271743 647176166 /nfs/dbraw/zinc/17/61/66/647176166.db2.gz IXNZJKCAOOLXBB-ZFWWWQNUSA-N 0 3 318.804 2.030 20 30 DEEDHN N#Cc1cc(Cl)cc(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000929798069 647203995 /nfs/dbraw/zinc/20/39/95/647203995.db2.gz ZBZLBJORBWSIDI-CQSZACIVSA-N 0 3 319.836 2.366 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001015307469 647229023 /nfs/dbraw/zinc/22/90/23/647229023.db2.gz PRNDQADECXSBIP-NVXWUHKLSA-N 0 3 300.377 2.069 20 30 DEEDHN CCCCCCCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000817134826 647229987 /nfs/dbraw/zinc/22/99/87/647229987.db2.gz GPXCLAMACOORJA-OAHLLOKOSA-N 0 3 311.470 2.016 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cn(C)nc1C ZINC001099106766 782189474 /nfs/dbraw/zinc/18/94/74/782189474.db2.gz OBOWGJUVMGWOJS-MRXNPFEDSA-N 0 3 318.465 2.064 20 30 DEEDHN CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H](N)CCCC#N ZINC000818108959 647422499 /nfs/dbraw/zinc/42/24/99/647422499.db2.gz IMGPXKFCXDARFM-GFCCVEGCSA-N 0 3 322.796 2.049 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000818130387 647424087 /nfs/dbraw/zinc/42/40/87/647424087.db2.gz MOGAPCOYQIOPDI-IAGOWNOFSA-N 0 3 315.417 2.292 20 30 DEEDHN C#CCNC(=O)CNC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000730934754 647434775 /nfs/dbraw/zinc/43/47/75/647434775.db2.gz ZERFIKYCBGUELJ-UHFFFAOYSA-N 0 3 302.418 2.296 20 30 DEEDHN CCCC(=O)NC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000731211376 647458469 /nfs/dbraw/zinc/45/84/69/647458469.db2.gz IPLROKGCEFFHCI-UHFFFAOYSA-N 0 3 315.417 2.470 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 ZINC000818584768 647483517 /nfs/dbraw/zinc/48/35/17/647483517.db2.gz XTGXGFOXLZKHMI-IKGGRYGDSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1cncc2ccccc21 ZINC000818609035 647488299 /nfs/dbraw/zinc/48/82/99/647488299.db2.gz HMACIXVONZOSQH-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C#CCN(C(=O)NCCc1cccc(C)c1)C1CCN(C)CC1 ZINC000915609855 647593835 /nfs/dbraw/zinc/59/38/35/647593835.db2.gz XDSCKGDOAKKJRQ-UHFFFAOYSA-N 0 3 313.445 2.277 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)[C@@H]1C ZINC000993422249 647662586 /nfs/dbraw/zinc/66/25/86/647662586.db2.gz APSCZYGZJHDXJI-SWLSCSKDSA-N 0 3 315.417 2.433 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@H]1C ZINC000993432811 647667397 /nfs/dbraw/zinc/66/73/97/647667397.db2.gz OERRRDQAZHRKPU-HIFRSBDPSA-N 0 3 317.433 2.246 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)[C@H]1C ZINC000993442961 647671023 /nfs/dbraw/zinc/67/10/23/647671023.db2.gz LFBFKKQEEBUZHH-ZYHUDNBSSA-N 0 3 310.829 2.394 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc(COC)c2)[C@H]1C ZINC000993469920 647673850 /nfs/dbraw/zinc/67/38/50/647673850.db2.gz YYHFSXVPXIJZDB-RHSMWYFYSA-N 0 3 317.433 2.387 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H]1C ZINC000993458937 647678246 /nfs/dbraw/zinc/67/82/46/647678246.db2.gz VSVYUXTWCXCEDB-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000993488294 647685473 /nfs/dbraw/zinc/68/54/73/647685473.db2.gz PJMAXQXXRWYFMK-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1C ZINC000993488927 647686636 /nfs/dbraw/zinc/68/66/36/647686636.db2.gz HQYCWTUHWXNBBU-HZPDHXFCSA-N 0 3 318.465 2.472 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(C)c(C)nc2C)[C@H]1C ZINC000993582663 647696943 /nfs/dbraw/zinc/69/69/43/647696943.db2.gz FZJLJJHJCRYJFE-HZPDHXFCSA-N 0 3 314.433 2.008 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2sc(C)nc2C)[C@@H]1C ZINC000993613794 647706832 /nfs/dbraw/zinc/70/68/32/647706832.db2.gz PVPOBMABBOOZGV-DZGCQCFKSA-N 0 3 319.474 2.295 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3ccncc3n2)[C@@H]1C ZINC000993594053 647711140 /nfs/dbraw/zinc/71/11/40/647711140.db2.gz 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C#CCCN1CCC[C@@H](NC(=O)c2ccc(COC)cc2)[C@@H]1C ZINC000994372121 647920387 /nfs/dbraw/zinc/92/03/87/647920387.db2.gz HMUKOAINZJRGPR-MAUKXSAKSA-N 0 3 314.429 2.439 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2OC)[C@@H]1C ZINC000994381102 647930575 /nfs/dbraw/zinc/93/05/75/647930575.db2.gz SGWZURWBALADHI-GOEBONIOSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc2ccccc2c1 ZINC000916920363 647940140 /nfs/dbraw/zinc/94/01/40/647940140.db2.gz JCJMBKXBMYKWJE-MRXNPFEDSA-N 0 3 308.337 2.230 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000916921469 647941142 /nfs/dbraw/zinc/94/11/42/647941142.db2.gz TUNAWOKWIXQPDB-NEPJUHHUSA-N 0 3 320.776 2.427 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000916951979 647947590 /nfs/dbraw/zinc/94/75/90/647947590.db2.gz PWZPSEQNAPQSHP-INIZCTEOSA-N 0 3 309.369 2.253 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000917003152 647954022 /nfs/dbraw/zinc/95/40/22/647954022.db2.gz YTUYHLZDRQTJGE-CQSZACIVSA-N 0 3 314.385 2.420 20 30 DEEDHN CNC(=O)C(C#N)C(=O)COc1ccc(Cl)c2ccccc12 ZINC000917005470 647954069 /nfs/dbraw/zinc/95/40/69/647954069.db2.gz VGDNCZWIZDGLHS-LBPRGKRZSA-N 0 3 316.744 2.327 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H]1C ZINC000994485959 647969227 /nfs/dbraw/zinc/96/92/27/647969227.db2.gz KNHXNEQELICMIZ-WCQYABFASA-N 0 3 321.446 2.006 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000917909426 648039789 /nfs/dbraw/zinc/03/97/89/648039789.db2.gz OPLOYUILANZWEK-HIFRSBDPSA-N 0 3 303.406 2.143 20 30 DEEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc(C#N)n1C ZINC000822599482 648240817 /nfs/dbraw/zinc/24/08/17/648240817.db2.gz FAYBGBQBDXDXNR-UHFFFAOYSA-N 0 3 324.428 2.143 20 30 DEEDHN COc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000175113466 648333350 /nfs/dbraw/zinc/33/33/50/648333350.db2.gz UEPHSBAMORZRHW-SWLSCSKDSA-N 0 3 302.374 2.422 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nsnc32)C[C@H]1C ZINC000947878252 648451317 /nfs/dbraw/zinc/45/13/17/648451317.db2.gz NARGETXFAJDYGK-NEPJUHHUSA-N 0 3 316.430 2.460 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCC[C@@](C)(O)COC ZINC000824559619 648610405 /nfs/dbraw/zinc/61/04/05/648610405.db2.gz WYAKNAFOKOJZSE-MRXNPFEDSA-N 0 3 311.809 2.229 20 30 DEEDHN C#CCCOc1ccc(CN(CCO)[C@@H]2CCO[C@@H]2C)cc1 ZINC000825130024 648708642 /nfs/dbraw/zinc/70/86/42/648708642.db2.gz KNNHRORSYLULSF-CRAIPNDOSA-N 0 3 303.402 2.060 20 30 DEEDHN C=CCC[C@@H](CO)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000825168012 648716772 /nfs/dbraw/zinc/71/67/72/648716772.db2.gz BIJSRBAZUREDCS-LBPRGKRZSA-N 0 3 308.813 2.347 20 30 DEEDHN C#CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000825583296 648784090 /nfs/dbraw/zinc/78/40/90/648784090.db2.gz NERBMLROXDEZMT-SFHVURJKSA-N 0 3 311.429 2.316 20 30 DEEDHN CCCN(C(=O)NCc1cc(C#N)ccc1F)[C@@H]1CCN(C)C1 ZINC000826532737 648873745 /nfs/dbraw/zinc/87/37/45/648873745.db2.gz XXBLYZGNQJZZMU-OAHLLOKOSA-N 0 3 318.396 2.323 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C(C)(C)C1 ZINC000940812174 648950642 /nfs/dbraw/zinc/95/06/42/648950642.db2.gz FDZYHAHZIGFKFB-PMPSAXMXSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC)nc2)C(C)(C)C1 ZINC000940875719 648964728 /nfs/dbraw/zinc/96/47/28/648964728.db2.gz SHMZFWOYSZGQNR-CQSZACIVSA-N 0 3 303.406 2.107 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2occc2C)C(C)(C)C1 ZINC000941014867 648986357 /nfs/dbraw/zinc/98/63/57/648986357.db2.gz JPNVBQQVQAFWCK-MRXNPFEDSA-N 0 3 302.418 2.371 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)Cc2cn(C)nc2Cl)C(C)(C)C1 ZINC000941027206 648988988 /nfs/dbraw/zinc/98/89/88/648988988.db2.gz BVGFAZHWKITNFA-CYBMUJFWSA-N 0 3 324.856 2.019 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2oc(CC)nc2C)C[C@@H]1C ZINC000947891815 648989768 /nfs/dbraw/zinc/98/97/68/648989768.db2.gz VWJKAKBDVYAYGW-GXTWGEPZSA-N 0 3 303.406 2.151 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C(C)(C)C1 ZINC000941090836 648999608 /nfs/dbraw/zinc/99/96/08/648999608.db2.gz KLKLSPSDFHHNJL-XHSDSOJGSA-N 0 3 306.450 2.370 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nnn(C(C)C)c2C)C(C)(C)C1 ZINC000941133198 649008921 /nfs/dbraw/zinc/00/89/21/649008921.db2.gz DQJXKFRPCUTCMA-CQSZACIVSA-N 0 3 319.453 2.184 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncnc2C2CC2)C(C)(C)C1 ZINC000941193752 649015776 /nfs/dbraw/zinc/01/57/76/649015776.db2.gz ODQBYDCZEOJOPZ-OAHLLOKOSA-N 0 3 314.433 2.370 20 30 DEEDHN C#Cc1cnc(N2CCCN(Cc3ccc(OC)cc3)CC2)nc1 ZINC000827337016 649017513 /nfs/dbraw/zinc/01/75/13/649017513.db2.gz QLBOXHKIKYNHDB-UHFFFAOYSA-N 0 3 322.412 2.179 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H](C)n2cccc2)CC1 ZINC000948309569 649019486 /nfs/dbraw/zinc/01/94/86/649019486.db2.gz RNHOSLUHWXGOSU-IRXDYDNUSA-N 0 3 301.434 2.385 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)/C=C(/C)C3CC3)CC2)C1 ZINC000941332427 649037241 /nfs/dbraw/zinc/03/72/41/649037241.db2.gz IVFZNFWUQQQVOU-VBKFSLOCSA-N 0 3 317.477 2.137 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC000941550601 649057204 /nfs/dbraw/zinc/05/72/04/649057204.db2.gz 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649160260 /nfs/dbraw/zinc/16/02/60/649160260.db2.gz BXGWHLGETRADFG-HIFRSBDPSA-N 0 3 316.449 2.407 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C3CC3)n(CC)n2)[C@@H](C)C1 ZINC000942115618 649160314 /nfs/dbraw/zinc/16/03/14/649160314.db2.gz BXGWHLGETRADFG-DZGCQCFKSA-N 0 3 316.449 2.407 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)[C@@H](C)C1 ZINC000942173529 649174695 /nfs/dbraw/zinc/17/46/95/649174695.db2.gz QBQAYRQPYRFPLZ-JKSUJKDBSA-N 0 3 313.445 2.127 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@@H](C)C1 ZINC000942206564 649184458 /nfs/dbraw/zinc/18/44/58/649184458.db2.gz BIWNMKQRDHGJMR-GOEBONIOSA-N 0 3 316.449 2.102 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](C)C1 ZINC000942220878 649187347 /nfs/dbraw/zinc/18/73/47/649187347.db2.gz YBZOSHCTHNOOPF-KBPBESRZSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3cnccc3s2)[C@H](C)C1 ZINC000942395238 649214226 /nfs/dbraw/zinc/21/42/26/649214226.db2.gz WXPAGKKAPRHGQQ-VXGBXAGGSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2onc3c2CCCC3)[C@H](C)C1 ZINC000942484983 649227236 /nfs/dbraw/zinc/22/72/36/649227236.db2.gz DUUIVVBRIBVTNG-HIFRSBDPSA-N 0 3 315.417 2.017 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)[C@@H](C)C1 ZINC000942523861 649233719 /nfs/dbraw/zinc/23/37/19/649233719.db2.gz XNVYPNZXDNAENH-RDJZCZTQSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)[C@@H](C)C1 ZINC000942529885 649235311 /nfs/dbraw/zinc/23/53/11/649235311.db2.gz NKAUSIPIHDNFBA-BBRMVZONSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H](C)C1 ZINC000942582215 649253527 /nfs/dbraw/zinc/25/35/27/649253527.db2.gz VFDPDTMLFBCUST-DOMZBBRYSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H](C)C1 ZINC000942594216 649255726 /nfs/dbraw/zinc/25/57/26/649255726.db2.gz FQWYNMNOICNFQU-PBHICJAKSA-N 0 3 307.397 2.308 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000942595369 649258372 /nfs/dbraw/zinc/25/83/72/649258372.db2.gz YKMPDPKGDPKBPD-XJKSGUPXSA-N 0 3 304.821 2.342 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000942595368 649258666 /nfs/dbraw/zinc/25/86/66/649258666.db2.gz YKMPDPKGDPKBPD-CZUORRHYSA-N 0 3 304.821 2.342 20 30 DEEDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CCCC#N)cc1F ZINC000829038173 649263900 /nfs/dbraw/zinc/26/39/00/649263900.db2.gz BOPJEWBKRUIVHO-OAHLLOKOSA-N 0 3 320.412 2.309 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)C2=CCCC2)C1 ZINC000995269580 649277403 /nfs/dbraw/zinc/27/74/03/649277403.db2.gz YLPOUBXEJGWSIT-GOSISDBHSA-N 0 3 323.440 2.476 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@H](C)C1 ZINC000942894522 649298937 /nfs/dbraw/zinc/29/89/37/649298937.db2.gz NEKOIUBHTBIDNT-HIFRSBDPSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000829775247 649354231 /nfs/dbraw/zinc/35/42/31/649354231.db2.gz ZVDPPXCCDZIBNF-HZPDHXFCSA-N 0 3 314.429 2.435 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(CC)oc2C)[C@H](C)C1 ZINC000943495965 649388873 /nfs/dbraw/zinc/38/88/73/649388873.db2.gz GPBPVTVHZVYXKN-TZMCWYRMSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2snnc2C(C)C)[C@H](C)C1 ZINC000943745593 649419089 /nfs/dbraw/zinc/41/90/89/649419089.db2.gz UTFVQBKWXCAHOY-VXGBXAGGSA-N 0 3 308.451 2.288 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2OCC)[C@H](C)C1 ZINC000943777154 649425148 /nfs/dbraw/zinc/42/51/48/649425148.db2.gz GGSDASSQQAHJQQ-CJNGLKHVSA-N 0 3 317.433 2.415 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000830343207 649429894 /nfs/dbraw/zinc/42/98/94/649429894.db2.gz PGJVOTXVGCCFDO-HNNXBMFYSA-N 0 3 318.446 2.199 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C3CC3)oc2C)[C@@H](C)C1 ZINC000943796681 649430213 /nfs/dbraw/zinc/43/02/13/649430213.db2.gz DRRTXQJXKIIPRZ-SMDDNHRTSA-N 0 3 303.406 2.487 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3nsnc32)[C@@H](C)C1 ZINC000943875994 649449722 /nfs/dbraw/zinc/44/97/22/649449722.db2.gz HALJSBOJCCXMTG-WCQYABFASA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)[C@H](C)C1 ZINC000944077989 649479746 /nfs/dbraw/zinc/47/97/46/649479746.db2.gz DMCIWGTUFYLWPV-PBHICJAKSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@H](C)C1 ZINC000944077710 649479810 /nfs/dbraw/zinc/47/98/10/649479810.db2.gz CYSQYMLRZCYKKR-OCCSQVGLSA-N 0 3 304.438 2.333 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](C)C1 ZINC000944134181 649487144 /nfs/dbraw/zinc/48/71/44/649487144.db2.gz BFEXAJRKWIKJGK-RDJZCZTQSA-N 0 3 309.413 2.321 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(CCC)n2)[C@H](C)C1 ZINC000944136917 649488089 /nfs/dbraw/zinc/48/80/89/649488089.db2.gz XKFLMDFNBBTGGF-ZIAGYGMSSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000944213634 649498258 /nfs/dbraw/zinc/49/82/58/649498258.db2.gz FOWDZDXSODWTJN-PBHICJAKSA-N 0 3 302.393 2.136 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nn(C)c3ccccc32)[C@@H](C)C1 ZINC000944240263 649501778 /nfs/dbraw/zinc/50/17/78/649501778.db2.gz DDUIYDQVTZGHTJ-GOEBONIOSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000944318551 649510951 /nfs/dbraw/zinc/51/09/51/649510951.db2.gz QPZSIXCKWAAAIW-GUYCJALGSA-N 0 3 318.417 2.330 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000944304397 649511908 /nfs/dbraw/zinc/51/19/08/649511908.db2.gz HOQBHBPQBSNVDW-WMLDXEAASA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2OC)[C@H](C)C1 ZINC000944699550 649551877 /nfs/dbraw/zinc/55/18/77/649551877.db2.gz HLNSECOGMYLJFX-WBVHZDCISA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000944700579 649552631 /nfs/dbraw/zinc/55/26/31/649552631.db2.gz KFMZCABLARMDPN-BBRMVZONSA-N 0 3 304.821 2.342 20 30 DEEDHN C=C(C)[C@@H](CO)N(C)C[C@H](O)c1ccccc1Br ZINC000832679890 649735389 /nfs/dbraw/zinc/73/53/89/649735389.db2.gz LLCUWJKSGKFUEO-KGLIPLIRSA-N 0 3 314.223 2.351 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@]2(O)CCOC2)c([O-])c1 ZINC000844271571 651102057 /nfs/dbraw/zinc/10/20/57/651102057.db2.gz QERYHQSTCHAZBL-BOFQVRIASA-N 0 3 306.406 2.199 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccccc1C(F)(F)F ZINC000105758215 651198504 /nfs/dbraw/zinc/19/85/04/651198504.db2.gz MPBHMOCCDPEVPG-NSHDSACASA-N 0 3 312.291 2.481 20 30 DEEDHN C=CCN(CC=C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846769280 651350647 /nfs/dbraw/zinc/35/06/47/651350647.db2.gz IQIPRRULERQMAY-KRWDZBQOSA-N 0 3 310.438 2.422 20 30 DEEDHN N#CCOc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000847255805 651384627 /nfs/dbraw/zinc/38/46/27/651384627.db2.gz MCYRRLGHKPQHQC-JKSUJKDBSA-N 0 3 313.401 2.336 20 30 DEEDHN COc1ccc2c(c1)[C@@H](C(=O)C(C#N)C(=O)NC1CC1)CCC2 ZINC000847624299 651406062 /nfs/dbraw/zinc/40/60/62/651406062.db2.gz NNBPNUQTFPYLPH-GOEBONIOSA-N 0 3 312.369 2.103 20 30 DEEDHN N#CC(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)C(=O)NC1CC1 ZINC000847624171 651406070 /nfs/dbraw/zinc/40/60/70/651406070.db2.gz LEMZDQCNHHQOSQ-ZFWWWQNUSA-N 0 3 318.760 2.289 20 30 DEEDHN COc1ccc2c(c1)[C@@H](C(=O)C(C#N)C(=O)NC1CC1)CCC2 ZINC000847624300 651406120 /nfs/dbraw/zinc/40/61/20/651406120.db2.gz NNBPNUQTFPYLPH-HOCLYGCPSA-N 0 3 312.369 2.103 20 30 DEEDHN CCOCC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847745933 651415046 /nfs/dbraw/zinc/41/50/46/651415046.db2.gz RRNDXJHDRIHYIH-UHFFFAOYSA-N 0 3 316.401 2.372 20 30 DEEDHN COC(=O)Nc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1F ZINC000848399484 651456176 /nfs/dbraw/zinc/45/61/76/651456176.db2.gz QDVDSCWAJINVNB-LBPRGKRZSA-N 0 3 322.340 2.354 20 30 DEEDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000848413471 651457258 /nfs/dbraw/zinc/45/72/58/651457258.db2.gz FWXGAOQRUZRPJV-INIZCTEOSA-N 0 3 302.422 2.089 20 30 DEEDHN CCCCCCOCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000107877665 651525875 /nfs/dbraw/zinc/52/58/75/651525875.db2.gz WHOJRLDAZMOXDX-ZDUSSCGKSA-N 0 3 303.362 2.326 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1cccnc1 ZINC000112652358 651566124 /nfs/dbraw/zinc/56/61/24/651566124.db2.gz ZBUOEFDDKXCSHL-AWEZNQCLSA-N 0 3 323.352 2.370 20 30 DEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000855220339 651649101 /nfs/dbraw/zinc/64/91/01/651649101.db2.gz COIVCZLAJMVSMB-SFHVURJKSA-N 0 3 317.408 2.429 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(F)(F)c2cccc(F)c2)CC1 ZINC000855385688 651687261 /nfs/dbraw/zinc/68/72/61/651687261.db2.gz SXTVBJRTICFQMW-UHFFFAOYSA-N 0 3 324.346 2.379 20 30 DEEDHN C=CCC1(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCOCC1 ZINC000855686845 651756632 /nfs/dbraw/zinc/75/66/32/651756632.db2.gz XDNJUZVAGBVJEF-KRWDZBQOSA-N 0 3 312.429 2.440 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccccc1F ZINC000109038405 651795940 /nfs/dbraw/zinc/79/59/40/651795940.db2.gz OXYGJZOEMIHBAI-TZMCWYRMSA-N 0 3 320.364 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)[C@H]2CCCO2)C1 ZINC001390005460 1155496687 /nfs/dbraw/zinc/49/66/87/1155496687.db2.gz LRSQLMIFHWGTTM-SCUASFONSA-N 0 3 300.830 2.181 20 30 DEEDHN CC1(C)OC[C@@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000851726363 652217584 /nfs/dbraw/zinc/21/75/84/652217584.db2.gz OWLBSDXBVMITDH-MRXNPFEDSA-N 0 3 315.417 2.222 20 30 DEEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)c2ccccn2)CC1 ZINC000851726391 652218237 /nfs/dbraw/zinc/21/82/37/652218237.db2.gz QFFQODOKWWJLBY-LJQANCHMSA-N 0 3 322.412 2.199 20 30 DEEDHN C#CCOCCN[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000851899608 652273775 /nfs/dbraw/zinc/27/37/75/652273775.db2.gz ARQNFGCFCFUEKX-CQSZACIVSA-N 0 3 320.408 2.087 20 30 DEEDHN C#CC[C@@H](COC)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000858335786 652310586 /nfs/dbraw/zinc/31/05/86/652310586.db2.gz GXJBBJTVSGGARR-AWEZNQCLSA-N 0 3 307.390 2.230 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1ccc(COCC)cc1 ZINC000852102260 652339818 /nfs/dbraw/zinc/33/98/18/652339818.db2.gz KGXOJSLDOXGZAH-SFHVURJKSA-N 0 3 302.418 2.231 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000852731949 652445965 /nfs/dbraw/zinc/44/59/65/652445965.db2.gz OAUVINDFXDKEBV-VBNZEHGJSA-N 0 3 322.836 2.126 20 30 DEEDHN C#C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000853860570 652614255 /nfs/dbraw/zinc/61/42/55/652614255.db2.gz KERIQCFNHWUNIP-QGZVFWFLSA-N 0 3 315.417 2.298 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001355888031 1152041828 /nfs/dbraw/zinc/04/18/28/1152041828.db2.gz IPDUBHBCVAOTFD-SOUVJXGZSA-N 0 3 315.465 2.366 20 30 DEEDHN CCCN(CCNC(=O)C(F)F)Cc1ccc(F)c(C#N)c1 ZINC001391115709 1156129375 /nfs/dbraw/zinc/12/93/75/1156129375.db2.gz XXNACIDIGXNBAA-UHFFFAOYSA-N 0 3 313.323 2.291 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2c[nH]c(C#N)c2)CCCC1 ZINC001374161087 1157675913 /nfs/dbraw/zinc/67/59/13/1157675913.db2.gz ZHUBMZNVXXYVNH-UHFFFAOYSA-N 0 3 306.797 2.271 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374874507 1158068835 /nfs/dbraw/zinc/06/88/35/1158068835.db2.gz QUZNGPQHUMTYGJ-JTQLQIEISA-N 0 3 302.403 2.164 20 30 DEEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)CC ZINC000124548749 684135855 /nfs/dbraw/zinc/13/58/55/684135855.db2.gz IRXJYOBQRVDTLN-ZDUSSCGKSA-N 0 3 312.207 2.322 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001356733746 1152123728 /nfs/dbraw/zinc/12/37/28/1152123728.db2.gz AXKNBTWRPMCYML-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN N#CC(C(=O)CCOC[C@H]1CCCO1)c1nc2ccccc2[nH]1 ZINC000075830895 683938853 /nfs/dbraw/zinc/93/88/53/683938853.db2.gz YVHKIVKHEYAAFI-CHWSQXEVSA-N 0 3 313.357 2.325 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCn1ccccc1=O ZINC000097466028 684055777 /nfs/dbraw/zinc/05/57/77/684055777.db2.gz OGJJVJSDCJUYIK-ZDUSSCGKSA-N 0 3 320.352 2.002 20 30 DEEDHN C#Cc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000118798687 684073755 /nfs/dbraw/zinc/07/37/55/684073755.db2.gz XLJOIGRJEWJTNP-KRWDZBQOSA-N 0 3 315.417 2.242 20 30 DEEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)ccc1F ZINC000122120066 684112251 /nfs/dbraw/zinc/11/22/51/684112251.db2.gz FHABQMYCJCGYEM-LLVKDONJSA-N 0 3 313.288 2.190 20 30 DEEDHN C[C@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000129833246 684182467 /nfs/dbraw/zinc/18/24/67/684182467.db2.gz OXRREUSCKRMZMW-JQWIXIFHSA-N 0 3 322.311 2.063 20 30 DEEDHN CSCC[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130184179 684186152 /nfs/dbraw/zinc/18/61/52/684186152.db2.gz OHJXOZZKDLQELY-GFCCVEGCSA-N 0 3 312.460 2.063 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCCO1)C2 ZINC001054091358 693839981 /nfs/dbraw/zinc/83/99/81/693839981.db2.gz QSPONVDEUSEQBO-PKOBYXMFSA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(F)nc1)C2 ZINC001054101750 693844567 /nfs/dbraw/zinc/84/45/67/693844567.db2.gz DKZPZIPKRLNCLY-SFHVURJKSA-N 0 3 315.392 2.172 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001054101562 693844772 /nfs/dbraw/zinc/84/47/72/693844772.db2.gz AABJOELUXKOHQS-TZMCWYRMSA-N 0 3 317.355 2.413 20 30 DEEDHN C=CCN1CCC(NC(=O)CC2CCC3(CC2)OCCO3)CC1 ZINC000188415032 684355659 /nfs/dbraw/zinc/35/56/59/684355659.db2.gz AKEAYLYXWLKCCK-UHFFFAOYSA-N 0 3 322.449 2.076 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)/C=C/c1ccc[nH]1)C2 ZINC001054122393 693853938 /nfs/dbraw/zinc/85/39/38/693853938.db2.gz ABNOWMLJOBYITD-UCFODXPJSA-N 0 3 311.429 2.366 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc3cc[nH]c3n1)C2 ZINC001054147915 693862967 /nfs/dbraw/zinc/86/29/67/693862967.db2.gz BJCMGQBVBAOMPW-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)COC1CCCCC1)C2 ZINC001054156555 693865518 /nfs/dbraw/zinc/86/55/18/693865518.db2.gz TVWYQLDHPHQMRN-LJQANCHMSA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1cscn1)C2 ZINC001054209913 693883667 /nfs/dbraw/zinc/88/36/67/693883667.db2.gz APYNCYVTOCUMGS-KRWDZBQOSA-N 0 3 317.458 2.023 20 30 DEEDHN C=CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)no1)C2 ZINC001054230203 693892609 /nfs/dbraw/zinc/89/26/09/693892609.db2.gz PBSIVUSUKWNDQV-HNNXBMFYSA-N 0 3 309.797 2.442 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1n[nH]c3ccccc31)C2 ZINC001054237191 693895025 /nfs/dbraw/zinc/89/50/25/693895025.db2.gz SGOBKLQAPVMWNL-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1cccc(F)c1)C2 ZINC001054236106 693895331 /nfs/dbraw/zinc/89/53/31/693895331.db2.gz CVMFXONTDOCWGU-LJQANCHMSA-N 0 3 314.404 2.316 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3ncccc13)C2 ZINC001054240725 693896038 /nfs/dbraw/zinc/89/60/38/693896038.db2.gz ZXQJXWZEFDMVSK-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cn1nc(C)c(Cl)c1C ZINC000195491719 685100084 /nfs/dbraw/zinc/10/00/84/685100084.db2.gz OYOXGLYXBMVJSG-GFCCVEGCSA-N 0 3 324.812 2.169 20 30 DEEDHN N#Cc1ccc(CN(C[C@@H](O)C2(O)CCCC2)C2CC2)cc1 ZINC000929367671 693945488 /nfs/dbraw/zinc/94/54/88/693945488.db2.gz PZADDXPJUUEEGB-QGZVFWFLSA-N 0 3 300.402 2.189 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001054395853 693960145 /nfs/dbraw/zinc/96/01/45/693960145.db2.gz ADZKXFHSTXDIOX-CJNGLKHVSA-N 0 3 315.417 2.159 20 30 DEEDHN CN(CCOC(=O)Cc1ccc(C#N)nc1)Cc1ccccc1 ZINC000860250612 685905172 /nfs/dbraw/zinc/90/51/72/685905172.db2.gz ACAVLHCCPQFGQG-UHFFFAOYSA-N 0 3 309.369 2.171 20 30 DEEDHN N#CC(C(=O)COCC(F)F)C(=O)Nc1ccccc1Cl 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C#CCCN1CC[C@H](NC(=O)c2ncoc2-c2cccs2)C1 ZINC001015867260 687445711 /nfs/dbraw/zinc/44/57/11/687445711.db2.gz NKACXLRNIKRWAD-LBPRGKRZSA-N 0 3 315.398 2.231 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015887995 687454125 /nfs/dbraw/zinc/45/41/25/687454125.db2.gz SSYTWRAVMZBPLR-KRWDZBQOSA-N 0 3 307.397 2.371 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001015971193 687485538 /nfs/dbraw/zinc/48/55/38/687485538.db2.gz ZOKCTSWRVASKPX-HNNXBMFYSA-N 0 3 314.433 2.285 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001016151962 687540835 /nfs/dbraw/zinc/54/08/35/687540835.db2.gz FMBSUPHCOUYHBB-OAHLLOKOSA-N 0 3 318.417 2.013 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001016301071 687586031 /nfs/dbraw/zinc/58/60/31/687586031.db2.gz RKBFQKUFVGRQTQ-INIZCTEOSA-N 0 3 312.413 2.445 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(OC)c(Cl)c2)C1 ZINC001016322521 687591667 /nfs/dbraw/zinc/59/16/67/687591667.db2.gz IOOZJBLWJTXLIL-LBPRGKRZSA-N 0 3 309.797 2.124 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(OCC)c2)C1 ZINC001016344904 687597049 /nfs/dbraw/zinc/59/70/49/687597049.db2.gz WIUGLJXHUQCUHY-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001016360957 687600709 /nfs/dbraw/zinc/60/07/09/687600709.db2.gz UQMHRAPZFBZRQC-QHGAOEGBSA-N 0 3 308.425 2.322 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2csnc2C)CC1 ZINC001016577507 687656549 /nfs/dbraw/zinc/65/65/49/687656549.db2.gz BONAANGWADPWKT-AWEZNQCLSA-N 0 3 303.431 2.059 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CC23CCN(C/C=C\Cl)CC3)[nH]1 ZINC001016576908 687656794 /nfs/dbraw/zinc/65/67/94/687656794.db2.gz SRQLOOVMBSXKIU-HFDGLISDSA-N 0 3 318.808 2.223 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000930288295 694128487 /nfs/dbraw/zinc/12/84/87/694128487.db2.gz UHXIASRDGMOEFH-BONVTDFDSA-N 0 3 302.353 2.302 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(OC)c(F)c2)CC1 ZINC001016665933 687678674 /nfs/dbraw/zinc/67/86/74/687678674.db2.gz 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C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001016989359 687750164 /nfs/dbraw/zinc/75/01/64/687750164.db2.gz SVJNRNMKFKJULM-BACDZXNISA-N 0 3 300.446 2.417 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCCCC1 ZINC000930329713 694138578 /nfs/dbraw/zinc/13/85/78/694138578.db2.gz JIACLQVDYHJGDT-ZDUSSCGKSA-N 0 3 301.390 2.171 20 30 DEEDHN Cc1ncsc1CN(C)C[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001017076518 687781372 /nfs/dbraw/zinc/78/13/72/687781372.db2.gz HJLBHPKLAPZVEX-OCCSQVGLSA-N 0 3 320.462 2.282 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C)cc1C ZINC001017720016 687946613 /nfs/dbraw/zinc/94/66/13/687946613.db2.gz VBQYRAZNQIZKLI-CALCHBBNSA-N 0 3 316.449 2.141 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCC1 ZINC001017771667 687957691 /nfs/dbraw/zinc/95/76/91/687957691.db2.gz KUOQJSQIAIDEFH-IXDOHACOSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cc2cnccc2o1 ZINC000868653007 688092124 /nfs/dbraw/zinc/09/21/24/688092124.db2.gz OPACYEVNUBQJSR-CYBMUJFWSA-N 0 3 314.389 2.143 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cc2cnccc2o1 ZINC000868653009 688092199 /nfs/dbraw/zinc/09/21/99/688092199.db2.gz OPACYEVNUBQJSR-ZDUSSCGKSA-N 0 3 314.389 2.143 20 30 DEEDHN COc1ccc(CN[C@H]2CCN(C(=O)C(C)(C)F)C2)cc1C#N ZINC001018403980 688125467 /nfs/dbraw/zinc/12/54/67/688125467.db2.gz ZMYWMSQRMJJFRA-AWEZNQCLSA-N 0 3 319.380 2.005 20 30 DEEDHN CC(C)=CC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018451538 688143241 /nfs/dbraw/zinc/14/32/41/688143241.db2.gz KDUNJEYJIOEUSC-HNNXBMFYSA-N 0 3 301.365 2.354 20 30 DEEDHN CS[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018538614 688168255 /nfs/dbraw/zinc/16/82/55/688168255.db2.gz BRRPKSMNDYIJJF-FZMZJTMJSA-N 0 3 321.421 2.139 20 30 DEEDHN CC(C)Oc1ccccc1CN[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018632016 688189575 /nfs/dbraw/zinc/18/95/75/688189575.db2.gz LPKSYDFOHRESFW-HOCLYGCPSA-N 0 3 315.417 2.324 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2cn(C)nc2C)C1 ZINC001019332165 688330346 /nfs/dbraw/zinc/33/03/46/688330346.db2.gz LRCAXCPMGNWLNE-DOTOQJQBSA-N 0 3 304.438 2.021 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)nc1 ZINC001019677064 688388863 /nfs/dbraw/zinc/38/88/63/688388863.db2.gz QHZOLXRMIMZWAR-KRWDZBQOSA-N 0 3 323.371 2.206 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001020049673 688450676 /nfs/dbraw/zinc/45/06/76/688450676.db2.gz HGOQSGLSVOQUIA-DLOVCJGASA-N 0 3 301.228 2.178 20 30 DEEDHN C=C(Cl)C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC000870031756 688463734 /nfs/dbraw/zinc/46/37/34/688463734.db2.gz XKIWBZLMFZLAJA-FRRDWIJNSA-N 0 3 316.829 2.050 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001020179715 688479791 /nfs/dbraw/zinc/47/97/91/688479791.db2.gz BGOPJOQHVZMUIX-JOCQHMNTSA-N 0 3 314.763 2.497 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000870142584 688497244 /nfs/dbraw/zinc/49/72/44/688497244.db2.gz LEHNQRDHBOEJOF-WUHRBBMRSA-N 0 3 316.357 2.156 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC001027429187 688531064 /nfs/dbraw/zinc/53/10/64/688531064.db2.gz CMWKDWVIMVXQPR-INIZCTEOSA-N 0 3 314.433 2.168 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001028631475 688540917 /nfs/dbraw/zinc/54/09/17/688540917.db2.gz JQGZSCXUWFRWRC-CWRNSKLLSA-N 0 3 302.443 2.313 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001028716487 688542192 /nfs/dbraw/zinc/54/21/92/688542192.db2.gz YSZVNJKUJWZYST-LBPRGKRZSA-N 0 3 315.398 2.088 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cnc(CC(C)C)s2)C1 ZINC001029013801 688548876 /nfs/dbraw/zinc/54/88/76/688548876.db2.gz HVPDWTSWNRDZHA-CQSZACIVSA-N 0 3 319.474 2.417 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000930761875 694235387 /nfs/dbraw/zinc/23/53/87/694235387.db2.gz XAIMYYZDONCKHN-UMVBOHGHSA-N 0 3 314.389 2.145 20 30 DEEDHN C[C@H]1OCC[C@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000871722380 688850903 /nfs/dbraw/zinc/85/09/03/688850903.db2.gz 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/nfs/dbraw/zinc/08/05/67/689080567.db2.gz VGSFPUFZMKCQRL-CQSZACIVSA-N 0 3 309.483 2.138 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000872845460 689105488 /nfs/dbraw/zinc/10/54/88/689105488.db2.gz JOWQMZWVENYWHJ-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000872923010 689119945 /nfs/dbraw/zinc/11/99/45/689119945.db2.gz CNRASHLEMDZNJG-MRXNPFEDSA-N 0 3 324.513 2.162 20 30 DEEDHN CC1(C)CC(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032339762 689125155 /nfs/dbraw/zinc/12/51/55/689125155.db2.gz QBSACRZGNFCLFW-GJZGRUSLSA-N 0 3 312.417 2.221 20 30 DEEDHN Cn1ccnc1[C@H](NCC1CCC(C#N)CC1)C(C)(C)CO ZINC000930902256 694266514 /nfs/dbraw/zinc/26/65/14/694266514.db2.gz SPNPTZJMPCWEBK-NRXISQOPSA-N 0 3 304.438 2.399 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)c2ccccc12 ZINC001032665506 689217576 /nfs/dbraw/zinc/21/75/76/689217576.db2.gz ZCCPMDLNORVZLK-KBPBESRZSA-N 0 3 323.396 2.415 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033086801 689382616 /nfs/dbraw/zinc/38/26/16/689382616.db2.gz LUOLQBDUEIFBKQ-ZACQAIPSSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001033104721 689388227 /nfs/dbraw/zinc/38/82/27/689388227.db2.gz YXHWHCVFYYVKQO-IAGOWNOFSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(F)cccc2OC)C1 ZINC001033106271 689388746 /nfs/dbraw/zinc/38/87/46/689388746.db2.gz HQGAILMSRFOTHH-ZDUSSCGKSA-N 0 3 304.365 2.004 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3c2COCC3)C1 ZINC001033138749 689401934 /nfs/dbraw/zinc/40/19/34/689401934.db2.gz GDOJCMCMYQJPIV-INIZCTEOSA-N 0 3 314.429 2.482 20 30 DEEDHN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(CCOC)C2)cc1 ZINC001033202428 689423457 /nfs/dbraw/zinc/42/34/57/689423457.db2.gz GYSNTUMUTBZUII-MRXNPFEDSA-N 0 3 318.417 2.044 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001033226698 689431008 /nfs/dbraw/zinc/43/10/08/689431008.db2.gz UXVYQFBXWUSHSI-GFCCVEGCSA-N 0 3 320.824 2.110 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2nc3cnccc3s2)C1 ZINC001033254381 689440254 /nfs/dbraw/zinc/44/02/54/689440254.db2.gz MIMQDHSBULOUQW-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001033260538 689442456 /nfs/dbraw/zinc/44/24/56/689442456.db2.gz ZIWIJBINLZFBOA-INIZCTEOSA-N 0 3 312.417 2.214 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033343054 689469447 /nfs/dbraw/zinc/46/94/47/689469447.db2.gz IZYCJELPZSWHRG-GDBMZVCRSA-N 0 3 312.413 2.352 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(F)c(COC)c2)C1 ZINC001033408728 689491227 /nfs/dbraw/zinc/49/12/27/689491227.db2.gz CHOZTYGHECFHJH-INIZCTEOSA-N 0 3 318.392 2.142 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000874828828 689504712 /nfs/dbraw/zinc/50/47/12/689504712.db2.gz YFLXRLIMTGTYLF-HUUCEWRRSA-N 0 3 305.328 2.145 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(OC)c2C)C1 ZINC001033454706 689505408 /nfs/dbraw/zinc/50/54/08/689505408.db2.gz GAONEZVUTGQKHC-HNNXBMFYSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(C)nn(CCC)c2C)C1 ZINC001033569430 689546412 /nfs/dbraw/zinc/54/64/12/689546412.db2.gz UUOYFJFLOJATJG-INIZCTEOSA-N 0 3 316.449 2.080 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033619876 689561675 /nfs/dbraw/zinc/56/16/75/689561675.db2.gz AEFIUMAGDDIZCQ-OAHLLOKOSA-N 0 3 304.459 2.463 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(C)nc2C(C)C)C1 ZINC001033652414 689572041 /nfs/dbraw/zinc/57/20/41/689572041.db2.gz IBZCJYGZHWNSSI-CQSZACIVSA-N 0 3 304.438 2.266 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001033686219 689583887 /nfs/dbraw/zinc/58/38/87/689583887.db2.gz BMQFWJUSPYJJCP-SJORKVTESA-N 0 3 301.434 2.222 20 30 DEEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033749099 689606170 /nfs/dbraw/zinc/60/61/70/689606170.db2.gz YPNKGMCODQOIAU-CYBMUJFWSA-N 0 3 308.451 2.349 20 30 DEEDHN CCOCCOCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000931031355 694298000 /nfs/dbraw/zinc/29/80/00/694298000.db2.gz AUNNFQBTHPDUGA-UHFFFAOYSA-N 0 3 317.433 2.488 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001033853279 689639533 /nfs/dbraw/zinc/63/95/33/689639533.db2.gz FNCHKJRXEUMLTA-OAHLLOKOSA-N 0 3 315.417 2.387 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033894117 689653778 /nfs/dbraw/zinc/65/37/78/689653778.db2.gz DSXCMUJJMNVPQA-INIZCTEOSA-N 0 3 309.413 2.499 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ncc3ccccn32)C1 ZINC001033896307 689654333 /nfs/dbraw/zinc/65/43/33/689654333.db2.gz HQZMQFPBSLPPHS-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN([C@H](C)COC)C2)cc1 ZINC001033921498 689661569 /nfs/dbraw/zinc/66/15/69/689661569.db2.gz BGOBOHJYUQNAKQ-QAPCUYQASA-N 0 3 314.429 2.239 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ncoc2C2CC2)C1 ZINC001034009419 689691757 /nfs/dbraw/zinc/69/17/57/689691757.db2.gz MVUQJIQXBAVKKY-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C=C(C)CCN1CCCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001034101827 689729297 /nfs/dbraw/zinc/72/92/97/689729297.db2.gz MCQJPPUFUZICEC-CYBMUJFWSA-N 0 3 308.451 2.397 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)C1CC1 ZINC000876068783 689751524 /nfs/dbraw/zinc/75/15/24/689751524.db2.gz JPSRMTPKWGMCKA-QGZVFWFLSA-N 0 3 311.429 2.377 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001034206803 689762778 /nfs/dbraw/zinc/76/27/78/689762778.db2.gz LTSNCHDDCLIVMH-CQSZACIVSA-N 0 3 304.438 2.379 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034221083 689768616 /nfs/dbraw/zinc/76/86/16/689768616.db2.gz YZCONVIUFZZOSU-ZDUSSCGKSA-N 0 3 304.438 2.478 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001034297129 689799938 /nfs/dbraw/zinc/79/99/38/689799938.db2.gz OBLQZPDTCHTITP-RDJZCZTQSA-N 0 3 300.402 2.147 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncc3ccccn32)C1 ZINC001034308267 689804808 /nfs/dbraw/zinc/80/48/08/689804808.db2.gz XANMNKKOTIDTOY-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034383758 689830472 /nfs/dbraw/zinc/83/04/72/689830472.db2.gz ADZUXLKCWJTFFS-INIZCTEOSA-N 0 3 316.449 2.210 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC001034408791 689839348 /nfs/dbraw/zinc/83/93/48/689839348.db2.gz LMRXWJDSOBSSTE-QGZVFWFLSA-N 0 3 301.434 2.343 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001034422398 689843670 /nfs/dbraw/zinc/84/36/70/689843670.db2.gz FDFVSXWAVVCGLC-OAHLLOKOSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(CCC)c2)C1 ZINC001034422488 689844116 /nfs/dbraw/zinc/84/41/16/689844116.db2.gz ALIDFRYJLTVSQA-MRXNPFEDSA-N 0 3 304.438 2.454 20 30 DEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001034431991 689848123 /nfs/dbraw/zinc/84/81/23/689848123.db2.gz AOTYUAGOLPLGCB-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000876545569 689852705 /nfs/dbraw/zinc/85/27/05/689852705.db2.gz JPOCIDSHQSKKIB-JTQLQIEISA-N 0 3 314.769 2.121 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001034444401 689852989 /nfs/dbraw/zinc/85/29/89/689852989.db2.gz PDXKSHISANGBIJ-IUODEOHRSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)ccc1NC(C)=O ZINC000876582134 689864943 /nfs/dbraw/zinc/86/49/43/689864943.db2.gz UGMMGKMFGVXPQL-LLVKDONJSA-N 0 3 311.769 2.062 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCOC)cc1C ZINC000876591850 689868631 /nfs/dbraw/zinc/86/86/31/689868631.db2.gz AQOFBSRBIGINLT-CYBMUJFWSA-N 0 3 312.797 2.429 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034487897 689870617 /nfs/dbraw/zinc/87/06/17/689870617.db2.gz SRVLWPTYHZQOEJ-GOEBONIOSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000876628582 689881465 /nfs/dbraw/zinc/88/14/65/689881465.db2.gz RYCNPVYXDYTTGT-GHMZBOCLSA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000876695628 689905915 /nfs/dbraw/zinc/90/59/15/689905915.db2.gz CYGVTCBXFQQRLX-LBPRGKRZSA-N 0 3 311.769 2.416 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000876694777 689905985 /nfs/dbraw/zinc/90/59/85/689905985.db2.gz NXEZLUIMFAHFFW-LBPRGKRZSA-N 0 3 323.780 2.360 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000876715060 689913180 /nfs/dbraw/zinc/91/31/80/689913180.db2.gz GTAMDEMQIJJVID-HNNXBMFYSA-N 0 3 307.825 2.114 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000876769263 689931712 /nfs/dbraw/zinc/93/17/12/689931712.db2.gz PZFRHGUCSJKAIW-ZFWWWQNUSA-N 0 3 307.825 2.242 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)C(F)F)c(F)c1 ZINC001034836145 689958011 /nfs/dbraw/zinc/95/80/11/689958011.db2.gz GPKYMSMCFJQFHY-GFCCVEGCSA-N 0 3 311.307 2.043 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)C2CC2)c(F)c1 ZINC001034838408 689958694 /nfs/dbraw/zinc/95/86/94/689958694.db2.gz WZWDCOJIMCZSPL-OAHLLOKOSA-N 0 3 301.365 2.188 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000876887922 689964994 /nfs/dbraw/zinc/96/49/94/689964994.db2.gz JRCSMBBZCWZYAT-IINYFYTJSA-N 0 3 324.808 2.447 20 30 DEEDHN CS[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034866550 689972053 /nfs/dbraw/zinc/97/20/53/689972053.db2.gz IFVYGTKDQRCGBF-NWDGAFQWSA-N 0 3 323.487 2.452 20 30 DEEDHN CC(C)c1cccc(CNC[C@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001034886237 689978530 /nfs/dbraw/zinc/97/85/30/689978530.db2.gz HQQMXJNXHPXSBD-GDBMZVCRSA-N 0 3 314.433 2.445 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001034887635 689979341 /nfs/dbraw/zinc/97/93/41/689979341.db2.gz YUQPAMBTBWJQCL-SMDDNHRTSA-N 0 3 307.344 2.205 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1n[nH]c(C(C)C)n1 ZINC001035016145 690011219 /nfs/dbraw/zinc/01/12/19/690011219.db2.gz RIQYSHLALLBUHB-CYBMUJFWSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@@H]2CNCc2ccnn2C)CC1 ZINC001035040159 690017951 /nfs/dbraw/zinc/01/79/51/690017951.db2.gz WQMTWXPGCKHZGP-QGZVFWFLSA-N 0 3 316.449 2.247 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000877133143 690026108 /nfs/dbraw/zinc/02/61/08/690026108.db2.gz XGQZUUPQUHIERN-HIFRSBDPSA-N 0 3 307.781 2.034 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(C(F)(F)F)s1 ZINC000877309925 690072760 /nfs/dbraw/zinc/07/27/60/690072760.db2.gz VXWYXFPVQCSFNB-VIFPVBQESA-N 0 3 305.325 2.404 20 30 DEEDHN C#C[C@H](C)NCc1cn(CC(=O)OCC)nc1-c1ccccc1 ZINC000877513852 690136673 /nfs/dbraw/zinc/13/66/73/690136673.db2.gz DZAFKASZQYQEAB-AWEZNQCLSA-N 0 3 311.385 2.225 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cnc3[nH]ccc3c1)CC2 ZINC001035727342 690162263 /nfs/dbraw/zinc/16/22/63/690162263.db2.gz SENZIFYMBUZLMO-UHFFFAOYSA-N 0 3 322.412 2.076 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1occ3c1CCC3)CC2 ZINC001035757376 690169163 /nfs/dbraw/zinc/16/91/63/690169163.db2.gz JESDOAXHQVDXOR-UHFFFAOYSA-N 0 3 312.413 2.330 20 30 DEEDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000877673344 690186113 /nfs/dbraw/zinc/18/61/13/690186113.db2.gz DSHJCGJYVGDRPA-RHSMWYFYSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C1CC1)C1CC1)CC2 ZINC001035833870 690188208 /nfs/dbraw/zinc/18/82/08/690188208.db2.gz YTWPLUTYDSBEOV-UHFFFAOYSA-N 0 3 300.446 2.370 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(C[C@H]2CCCOC2)CC1 ZINC000877746998 690214032 /nfs/dbraw/zinc/21/40/32/690214032.db2.gz QVYAUTZNHFQPQO-CQSZACIVSA-N 0 3 303.381 2.246 20 30 DEEDHN Cc1cnc(CN[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2C)s1 ZINC001036039740 690242258 /nfs/dbraw/zinc/24/22/58/690242258.db2.gz XJLJHPCUPNQUHD-SWLSCSKDSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000877942530 690266495 /nfs/dbraw/zinc/26/64/95/690266495.db2.gz IWEPIUBTJNSHFP-ZACQAIPSSA-N 0 3 307.482 2.073 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001036429027 690349211 /nfs/dbraw/zinc/34/92/11/690349211.db2.gz SCSOFEISOCKMDD-JSGCOSHPSA-N 0 3 319.453 2.042 20 30 DEEDHN 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ZINC001053075366 693684015 /nfs/dbraw/zinc/68/40/15/693684015.db2.gz IESSMQOIOHUXGX-HZPDHXFCSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2n[nH]cc2C)C1 ZINC001053087533 693686386 /nfs/dbraw/zinc/68/63/86/693686386.db2.gz UKRFLLXUBDORIH-HZPDHXFCSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccsn2)C1 ZINC001053086650 693686640 /nfs/dbraw/zinc/68/66/40/693686640.db2.gz DWTHDTVALGBXQR-GDBMZVCRSA-N 0 3 317.458 2.483 20 30 DEEDHN CCOc1ccc(O)c(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC001332021681 1149809449 /nfs/dbraw/zinc/80/94/49/1149809449.db2.gz PSOLFOBIJHSQKW-OKILXGFUSA-N 0 3 303.406 2.209 20 30 DEEDHN CC#CC[C@H](CO)NCc1sc(N2CCCCC2)nc1C ZINC001333149765 1150007846 /nfs/dbraw/zinc/00/78/46/1150007846.db2.gz SRZZPEWFJDSKBN-CQSZACIVSA-N 0 3 307.463 2.306 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)Cc3ccccc3F)CC2)CC1 ZINC001333180666 1150012051 /nfs/dbraw/zinc/01/20/51/1150012051.db2.gz RIWGIIWXRURKKB-UHFFFAOYSA-N 0 3 314.404 2.362 20 30 DEEDHN COc1cc(C)cc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1O ZINC001333719051 1150083377 /nfs/dbraw/zinc/08/33/77/1150083377.db2.gz LEASUATXGZLNIG-KBPBESRZSA-N 0 3 303.406 2.127 20 30 DEEDHN Cc1ccc(C)c(OC[C@H](O)CNCC#C[C@H]2CCCCO2)c1 ZINC001335485612 1150432205 /nfs/dbraw/zinc/43/22/05/1150432205.db2.gz MYMNZPDNINBRTQ-QZTJIDSGSA-N 0 3 317.429 2.205 20 30 DEEDHN COc1cccc2c1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)C2 ZINC001343349627 1150736813 /nfs/dbraw/zinc/73/68/13/1150736813.db2.gz KAHMOQRBDSWYDB-GDBMZVCRSA-N 0 3 315.417 2.080 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001479876315 1151023410 /nfs/dbraw/zinc/02/34/10/1151023410.db2.gz ATVXIPCTGDMANU-ZWKOTPCHSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001402646638 1162425150 /nfs/dbraw/zinc/42/51/50/1162425150.db2.gz VQVQJTXVNGVVKT-OWCLPIDISA-N 0 3 321.852 2.279 20 30 DEEDHN C[C@@H](CNC(=O)c1ccnc(F)c1)NCc1ccc(C#N)s1 ZINC001480436003 1151804371 /nfs/dbraw/zinc/80/43/71/1151804371.db2.gz WYDILLREFULGNQ-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nnc(C3CC3)[n-]2)C1 ZINC001353688659 1151846486 /nfs/dbraw/zinc/84/64/86/1151846486.db2.gz OUXUCAKYNXRCOP-KGLIPLIRSA-N 0 3 317.437 2.072 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(Br)cn1 ZINC001354524558 1151900631 /nfs/dbraw/zinc/90/06/31/1151900631.db2.gz YRUGVFAVHMGJEJ-GFCCVEGCSA-N 0 3 312.211 2.144 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C ZINC001355390023 1152008003 /nfs/dbraw/zinc/00/80/03/1152008003.db2.gz BLMUUXPPEAUJTB-UONOGXRCSA-N 0 3 305.470 2.489 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001379599663 1152649435 /nfs/dbraw/zinc/64/94/35/1152649435.db2.gz CXINTDGJFLIJLZ-LSBZLQRGSA-N 0 3 322.412 2.331 20 30 DEEDHN Cc1cnoc1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001379765352 1152691618 /nfs/dbraw/zinc/69/16/18/1152691618.db2.gz GVOMFVHXWOOOMP-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001402850642 1162497908 /nfs/dbraw/zinc/49/79/08/1162497908.db2.gz ITSALTQGBQXFEO-VXGBXAGGSA-N 0 3 323.437 2.291 20 30 DEEDHN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]1C#N)c1cccc(OC)c1 ZINC001362033122 1152807183 /nfs/dbraw/zinc/80/71/83/1152807183.db2.gz OSNCLNPHHPXGTM-DJIMGWMZSA-N 0 3 315.417 2.354 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N[C@@H](C)c1ccccc1F ZINC001402870724 1162507737 /nfs/dbraw/zinc/50/77/37/1162507737.db2.gz MVEUPXIHVCVXIL-RYUDHWBXSA-N 0 3 314.364 2.495 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC001381321979 1153004708 /nfs/dbraw/zinc/00/47/08/1153004708.db2.gz KOVYOQBSGLFZLP-JXQTWKCFSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2COc3ccccc32)C1 ZINC001381341771 1153009856 /nfs/dbraw/zinc/00/98/56/1153009856.db2.gz ODRYLFSJUYWLTL-PIMMBPRGSA-N 0 3 320.820 2.400 20 30 DEEDHN N#Cc1cccc(NC2CN(C(=O)[C@H]3CCN3C3CCCC3)C2)c1 ZINC001362714921 1153055262 /nfs/dbraw/zinc/05/52/62/1153055262.db2.gz MOPTWFGKLAGDRE-GOSISDBHSA-N 0 3 324.428 2.198 20 30 DEEDHN Cc1nc(C)c(CNCC2(NC(=O)[C@H](C)C#N)CCCCC2)o1 ZINC001381718068 1153194502 /nfs/dbraw/zinc/19/45/02/1153194502.db2.gz VINCIGXDIPYJKM-GFCCVEGCSA-N 0 3 318.421 2.360 20 30 DEEDHN N#Cc1ncc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1C#N ZINC001363134212 1153237998 /nfs/dbraw/zinc/23/79/98/1153237998.db2.gz RWUYUYORADDARY-HNNXBMFYSA-N 0 3 318.384 2.296 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC(c3ccncn3)CC2)c1 ZINC001363260208 1153299614 /nfs/dbraw/zinc/29/96/14/1153299614.db2.gz SIYWSSCYISWBJH-GOSISDBHSA-N 0 3 308.385 2.261 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)c1cnc2n1CCC2 ZINC001382015668 1153317951 /nfs/dbraw/zinc/31/79/51/1153317951.db2.gz DQAMRNGRVVGQHE-CYBMUJFWSA-N 0 3 322.840 2.022 20 30 DEEDHN Cc1ccc(O[C@@H]2CCN(C[C@H](O)c3cccc(C#N)c3)C2)nc1 ZINC001363809150 1153642397 /nfs/dbraw/zinc/64/23/97/1153642397.db2.gz OSYRUXJWGTYZTK-MSOLQXFVSA-N 0 3 323.396 2.448 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)[C@@H]1C ZINC001388802106 1155092475 /nfs/dbraw/zinc/09/24/75/1155092475.db2.gz QSQPNBYHZUTVKD-CPUCHLNUSA-N 0 3 322.412 2.473 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001390041629 1155507903 /nfs/dbraw/zinc/50/79/03/1155507903.db2.gz WDEIJZKEQYFIIM-FZQKWOKYSA-N 0 3 324.856 2.194 20 30 DEEDHN CSC[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001371136485 1155729489 /nfs/dbraw/zinc/72/94/89/1155729489.db2.gz BRZWBHDRMAVNLK-NWDGAFQWSA-N 0 3 323.437 2.291 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NCc1ccc(C#N)c(F)c1 ZINC001371382396 1155839549 /nfs/dbraw/zinc/83/95/49/1155839549.db2.gz ZVJDFCYCXLDRMV-XFBWCDHKSA-N 0 3 315.392 2.338 20 30 DEEDHN Cc1cnoc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001371865000 1156045503 /nfs/dbraw/zinc/04/55/03/1156045503.db2.gz BTUBIRCQIOOENK-ZDUSSCGKSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cncnc1C1CC1 ZINC001371887248 1156054038 /nfs/dbraw/zinc/05/40/38/1156054038.db2.gz YUUDGNQKVRQJMW-LLVKDONJSA-N 0 3 308.813 2.205 20 30 DEEDHN CN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccc(CF)cc1 ZINC001371950800 1156081869 /nfs/dbraw/zinc/08/18/69/1156081869.db2.gz CUXFZQQIRSNCDR-UHFFFAOYSA-N 0 3 314.364 2.218 20 30 DEEDHN C=C(Cl)CN(CCNC(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC001372803088 1156794770 /nfs/dbraw/zinc/79/47/70/1156794770.db2.gz JIQMQLCWOAVNIB-CYBMUJFWSA-N 0 3 322.840 2.163 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCO[C@H]2C)CCCC1 ZINC001391769828 1156795307 /nfs/dbraw/zinc/79/53/07/1156795307.db2.gz LUAZRARGJXHYAU-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2[nH]cnc2C)CCCCC1 ZINC001403266856 1162831936 /nfs/dbraw/zinc/83/19/36/1162831936.db2.gz QEJCZSISRQHOMI-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)SC)NCc1ccc(C#N)s1 ZINC001373736463 1157324226 /nfs/dbraw/zinc/32/42/26/1157324226.db2.gz NGSFTMZJGVDHNM-QWRGUYRKSA-N 0 3 311.476 2.356 20 30 DEEDHN CC[C@@H](CNC(=O)c1cc[nH]c1)NCc1ccc(C#N)s1 ZINC001373753405 1157340374 /nfs/dbraw/zinc/34/03/74/1157340374.db2.gz BAJPZFWSQMYJKT-LBPRGKRZSA-N 0 3 302.403 2.246 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccnnc1C)C1CC1 ZINC001373880301 1157429939 /nfs/dbraw/zinc/42/99/39/1157429939.db2.gz HWFMSGHAGLIZAD-HNNXBMFYSA-N 0 3 308.813 2.026 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2nonc2c1 ZINC001403434214 1162880789 /nfs/dbraw/zinc/88/07/89/1162880789.db2.gz NPZRILJFCUKAJF-SNVBAGLBSA-N 0 3 308.769 2.073 20 30 DEEDHN Cc1ncsc1CN1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001393596290 1157873935 /nfs/dbraw/zinc/87/39/35/1157873935.db2.gz FFMBFVFLXCUEHG-WCQYABFASA-N 0 3 306.435 2.082 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1csc(CC)n1 ZINC001403497909 1162905069 /nfs/dbraw/zinc/90/50/69/1162905069.db2.gz ZOLRAXZLYZVTHL-LLVKDONJSA-N 0 3 315.870 2.485 20 30 DEEDHN CCO[C@H](C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001393792367 1157987703 /nfs/dbraw/zinc/98/77/03/1157987703.db2.gz NGZLQMYMOWAELH-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CNCc1cc(Cl)cc2c1OCC2 ZINC001374873819 1158068486 /nfs/dbraw/zinc/06/84/86/1158068486.db2.gz SZOJTYRFPMJYDU-QWRGUYRKSA-N 0 3 321.808 2.029 20 30 DEEDHN CC(C)n1ccc(CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001394014399 1158164347 /nfs/dbraw/zinc/16/43/47/1158164347.db2.gz GBGGDLQEYNXSRU-CQSZACIVSA-N 0 3 319.453 2.198 20 30 DEEDHN Cc1conc1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394130967 1158325160 /nfs/dbraw/zinc/32/51/60/1158325160.db2.gz WFMKAMTUYVBODC-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN Cc1nc(C)c(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)o1 ZINC001375406147 1158577875 /nfs/dbraw/zinc/57/78/75/1158577875.db2.gz SFJPCAUIHXNOJD-UHFFFAOYSA-N 0 3 324.384 2.215 20 30 DEEDHN Cc1cccc(CNC2(CNC(=O)c3ccc(C#N)[nH]3)CC2)c1 ZINC001375410646 1158582293 /nfs/dbraw/zinc/58/22/93/1158582293.db2.gz TUAGLOQGYOYSCA-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)c1cnc(C)n1C)C(C)(C)C ZINC001394822629 1158804401 /nfs/dbraw/zinc/80/44/01/1158804401.db2.gz HDPDSEODGLKLTH-ZDUSSCGKSA-N 0 3 312.845 2.215 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1ccccc1F ZINC001403547901 1162989697 /nfs/dbraw/zinc/98/96/97/1162989697.db2.gz HLVLHQGQKOKUDT-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001376771603 1159783742 /nfs/dbraw/zinc/78/37/42/1159783742.db2.gz RWTVESZCYHXVRP-IUODEOHRSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376879757 1159830902 /nfs/dbraw/zinc/83/09/02/1159830902.db2.gz HVCKDRKFAFRUSV-AWEZNQCLSA-N 0 3 313.873 2.194 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC2(COC)CC2)C1 ZINC001397117307 1160001166 /nfs/dbraw/zinc/00/11/66/1160001166.db2.gz DATMNTXMJSEDPE-JOCQHMNTSA-N 0 3 300.830 2.040 20 30 DEEDHN CCN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1cccc(C#N)c1 ZINC001377298533 1160165509 /nfs/dbraw/zinc/16/55/09/1160165509.db2.gz FISMAQYSJVONMK-UHFFFAOYSA-N 0 3 321.384 2.010 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)Cc3ccoc3)C2)c1 ZINC001377437134 1160367491 /nfs/dbraw/zinc/36/74/91/1160367491.db2.gz BWSJRAABUAONLY-SFHVURJKSA-N 0 3 323.396 2.332 20 30 DEEDHN CCCN(CCNC(=O)[C@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC001377472893 1160401568 /nfs/dbraw/zinc/40/15/68/1160401568.db2.gz GLAWAIYDBQQQIS-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN CC(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001378010494 1160913577 /nfs/dbraw/zinc/91/35/77/1160913577.db2.gz VXQNLZPIMWVJGD-CQSZACIVSA-N 0 3 303.406 2.181 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001399332204 1161352384 /nfs/dbraw/zinc/35/23/84/1161352384.db2.gz ABULQAIWPITUQS-WCQYABFASA-N 0 3 312.845 2.065 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)CSC)Cc1cccc(C#N)c1 ZINC001399683633 1161520747 /nfs/dbraw/zinc/52/07/47/1161520747.db2.gz AOEMMPIQHXJNTE-CQSZACIVSA-N 0 3 319.474 2.495 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cn(C)nc2C)CCCC1 ZINC001400918189 1161846472 /nfs/dbraw/zinc/84/64/72/1161846472.db2.gz QSLVBGFIHUOWFA-UHFFFAOYSA-N 0 3 324.856 2.042 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)nn1CC)C1CC1 ZINC001401002126 1161858437 /nfs/dbraw/zinc/85/84/37/1161858437.db2.gz FEMHQYYEJBMHPX-MRXNPFEDSA-N 0 3 324.856 2.452 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](CC(C)C)NC(C)=O ZINC001401266308 1161909507 /nfs/dbraw/zinc/90/95/07/1161909507.db2.gz FMSNPDODNYQLOO-INIZCTEOSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)C(C)C ZINC001401346778 1161940588 /nfs/dbraw/zinc/94/05/88/1161940588.db2.gz SOOFPSLPSDEGGH-RISCZKNCSA-N 0 3 312.845 2.071 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CC12CC2 ZINC001401709257 1162086062 /nfs/dbraw/zinc/08/60/62/1162086062.db2.gz XLWXQIWIEYMRSL-SMDDNHRTSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(Cl)CN1CCC(C)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001402077073 1162237791 /nfs/dbraw/zinc/23/77/91/1162237791.db2.gz IFOFAAZOVIQIDY-ZDUSSCGKSA-N 0 3 301.862 2.050 20 30 DEEDHN COCc1cccc(CN(CCNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001404207803 1163508782 /nfs/dbraw/zinc/50/87/82/1163508782.db2.gz BCRNDTROHDXYIB-CQSZACIVSA-N 0 3 315.417 2.073 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001405193290 1164006324 /nfs/dbraw/zinc/00/63/24/1164006324.db2.gz GGABEIOTZBWYMB-SWLSCSKDSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccns1)C1CCCCC1 ZINC001405942660 1164350640 /nfs/dbraw/zinc/35/06/40/1164350640.db2.gz HEXUGKSVKNDHRJ-DOMZBBRYSA-N 0 3 320.462 2.457 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)(C)C)C[C@@H](O)c1ccccc1 ZINC001492949978 1164515336 /nfs/dbraw/zinc/51/53/36/1164515336.db2.gz DYJBSZUUDXRLKW-QGZVFWFLSA-N 0 3 316.445 2.208 20 30 DEEDHN CCCC(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001406738749 1164812568 /nfs/dbraw/zinc/81/25/68/1164812568.db2.gz WJHUWVNRCILOGJ-INIZCTEOSA-N 0 3 303.381 2.482 20 30 DEEDHN CCOCC(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001407881991 1165365652 /nfs/dbraw/zinc/36/56/52/1165365652.db2.gz RDMICRBPZSEOGM-UHFFFAOYSA-N 0 3 321.396 2.014 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001408296395 1165570612 /nfs/dbraw/zinc/57/06/12/1165570612.db2.gz TYMKSPMHTQUDMK-UHFFFAOYSA-N 0 3 324.856 2.265 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1CC ZINC001417827274 1167240588 /nfs/dbraw/zinc/24/05/88/1167240588.db2.gz SYFIKJUHPBSLDE-ZNMIVQPWSA-N 0 3 315.889 2.294 20 30 DEEDHN CCCCC(=O)NC[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001418201906 1167484107 /nfs/dbraw/zinc/48/41/07/1167484107.db2.gz WABJCQRFXKLIEY-ZDUSSCGKSA-N 0 3 303.406 2.351 20 30 DEEDHN Cc1ccc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)o1 ZINC001418211712 1167492989 /nfs/dbraw/zinc/49/29/89/1167492989.db2.gz SOMZRYCFLWJKDL-JTQLQIEISA-N 0 3 303.387 2.429 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCc1ccccc1OC1CC1 ZINC001419181714 1168298644 /nfs/dbraw/zinc/29/86/44/1168298644.db2.gz QLLMJUXNXFFSLY-ZFWWWQNUSA-N 0 3 315.417 2.372 20 30 DEEDHN CCC(=O)N[C@@](C)(CNCc1ccc(C#N)cc1F)C1CC1 ZINC001419313216 1168392082 /nfs/dbraw/zinc/39/20/82/1168392082.db2.gz COBUJZCQJRYNCB-KRWDZBQOSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(CC)n[nH]2)CCCC1 ZINC001419592426 1168639392 /nfs/dbraw/zinc/63/93/92/1168639392.db2.gz OBHVIDIXMCRYGT-UHFFFAOYSA-N 0 3 310.829 2.357 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)CN1CC[C@H](C)C1 ZINC001419609073 1168668200 /nfs/dbraw/zinc/66/82/00/1168668200.db2.gz OJHOXTPFEDOQJZ-ZFWWWQNUSA-N 0 3 313.873 2.051 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)CCOC1CCCCCC1 ZINC001419954955 1169003382 /nfs/dbraw/zinc/00/33/82/1169003382.db2.gz XGCFPWXDFXKWIR-HNNXBMFYSA-N 0 3 309.454 2.276 20 30 DEEDHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001420311599 1169347756 /nfs/dbraw/zinc/34/77/56/1169347756.db2.gz IADKTGFGNWUOPC-JMSVASOKSA-N 0 3 321.446 2.029 20 30 DEEDHN CCN(CCNC(=O)c1cc(C)no1)Cc1ccc(C#N)cc1 ZINC001420368548 1169417770 /nfs/dbraw/zinc/41/77/70/1169417770.db2.gz PBWDTJYBIKMWBM-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CCN(CCNC(=O)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC001420382675 1169443582 /nfs/dbraw/zinc/44/35/82/1169443582.db2.gz JDDZBEGKQUAULX-UHFFFAOYSA-N 0 3 313.323 2.449 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccco1 ZINC001420398246 1169473612 /nfs/dbraw/zinc/47/36/12/1169473612.db2.gz PJICBMHJNVYLNG-NSHDSACASA-N 0 3 301.321 2.198 20 30 DEEDHN COc1cc(CN(C)C[C@H](C)NC(=O)[C@@H](C)C#N)ccc1C ZINC001420535794 1169742876 /nfs/dbraw/zinc/74/28/76/1169742876.db2.gz HDDLPMPXTCOGPK-KBPBESRZSA-N 0 3 303.406 2.100 20 30 DEEDHN Cc1ccncc1CN1CCC[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001421282966 1171670611 /nfs/dbraw/zinc/67/06/11/1171670611.db2.gz OZNJCYJTLRZWHD-QAPCUYQASA-N 0 3 314.433 2.268 20 30 DEEDHN CCc1onc(C)c1CNC[C@@](C)(NC(=O)[C@@H](C)C#N)C1CC1 ZINC001421543403 1171841084 /nfs/dbraw/zinc/84/10/84/1171841084.db2.gz IRDFXPIATYSEPX-APPDUMDISA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cn2ccnc2)CCCC[C@@H]1C ZINC001421574267 1171854274 /nfs/dbraw/zinc/85/42/74/1171854274.db2.gz JPHPUUJAVWLYHT-BBRMVZONSA-N 0 3 324.856 2.290 20 30 DEEDHN Cc1cncc(CNCc2ccc(CNC(=O)[C@H](C)C#N)cc2)c1 ZINC001421616306 1171869282 /nfs/dbraw/zinc/86/92/82/1171869282.db2.gz DUTNREWGMJDVBG-OAHLLOKOSA-N 0 3 322.412 2.456 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2[C@@H]1CCCN2C(=O)CN(C)CCC ZINC001421631216 1171875760 /nfs/dbraw/zinc/87/57/60/1171875760.db2.gz GQJFQLNXXIWUSR-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN C[C@@H](CNC/C(Cl)=C\Cl)CNC(=O)c1cc(C#N)c[nH]1 ZINC001421671511 1171893282 /nfs/dbraw/zinc/89/32/82/1171893282.db2.gz HYDUYHJWRWYASG-OLXTUZCPSA-N 0 3 315.204 2.161 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)COC(C)(C)C ZINC001421685332 1171899517 /nfs/dbraw/zinc/89/95/17/1171899517.db2.gz FRBZXIUCMFVNHR-AWEZNQCLSA-N 0 3 317.433 2.215 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001421740645 1171952428 /nfs/dbraw/zinc/95/24/28/1171952428.db2.gz WLVXPDQMAMIVGJ-CJNGLKHVSA-N 0 3 305.397 2.394 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC2(NCc3ccccn3)CCCC2)c1 ZINC001421814141 1172010710 /nfs/dbraw/zinc/01/07/10/1172010710.db2.gz APYXJXUWCGASOO-UHFFFAOYSA-N 0 3 323.400 2.114 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cncs1 ZINC001421895860 1172098803 /nfs/dbraw/zinc/09/88/03/1172098803.db2.gz WSXMZZPBAHGSMB-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001422051139 1172257392 /nfs/dbraw/zinc/25/73/92/1172257392.db2.gz ZIVJVRWEYNEYLM-WBMJQRKESA-N 0 3 321.371 2.384 20 30 DEEDHN C[C@@H](CNC(=O)C[C@@H]1CCCO1)N(C)Cc1cccc(C#N)c1 ZINC001422473116 1172620830 /nfs/dbraw/zinc/62/08/30/1172620830.db2.gz GTJUGYUFTWXGGX-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nccc2cccnc21 ZINC001424573392 1173837569 /nfs/dbraw/zinc/83/75/69/1173837569.db2.gz TWKDLJQWPGXYPZ-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H](OC)C(F)(F)F ZINC001424603420 1173846823 /nfs/dbraw/zinc/84/68/23/1173846823.db2.gz UVKBAMBGMNZWSU-VHSXEESVSA-N 0 3 316.751 2.191 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1coc(OC)n1 ZINC001424875176 1174004291 /nfs/dbraw/zinc/00/42/91/1174004291.db2.gz QYDZNAPPJOVFDJ-UHFFFAOYSA-N 0 3 315.801 2.124 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1[nH]c(C)nc1C ZINC001424883344 1174008422 /nfs/dbraw/zinc/00/84/22/1174008422.db2.gz IILYNAAWXGYKLT-UHFFFAOYSA-N 0 3 312.845 2.467 20 30 DEEDHN COc1ccc(CN(C)[C@@H](C)CNC(=O)[C@H](C)C#N)cc1C ZINC001424917829 1174031461 /nfs/dbraw/zinc/03/14/61/1174031461.db2.gz CUENIUNYTFRVPH-KGLIPLIRSA-N 0 3 303.406 2.100 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(Cc2cccc3cccnc32)C1 ZINC001425233032 1174250651 /nfs/dbraw/zinc/25/06/51/1174250651.db2.gz MRSYKDSVFWLFBV-KBPBESRZSA-N 0 3 322.412 2.331 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001425415997 1174310980 /nfs/dbraw/zinc/31/09/80/1174310980.db2.gz JTLFODNGFGJHRX-JOCQHMNTSA-N 0 3 322.840 2.459 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H](C)CN(C)C(=O)[C@@H](C)C#N ZINC001425546291 1174362963 /nfs/dbraw/zinc/36/29/63/1174362963.db2.gz MGOPTSHMYSVLEG-KBPBESRZSA-N 0 3 303.406 2.100 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](CNC(=O)CC3CC3)C2)c(F)c1 ZINC001436372564 1179066653 /nfs/dbraw/zinc/06/66/53/1179066653.db2.gz ISLMENGNOSZMJQ-KOMQPUFPSA-N 0 3 315.392 2.482 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)[C@H]2CC23CC3)C2CC2)s1 ZINC001436818660 1179262803 /nfs/dbraw/zinc/26/28/03/1179262803.db2.gz YLUJEOVSLSRHNU-HUUCEWRRSA-N 0 3 315.442 2.404 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cncc(C)c1)C(C)C ZINC001438815201 1180821547 /nfs/dbraw/zinc/82/15/47/1180821547.db2.gz RXJRPWJOHFPOSF-OAHLLOKOSA-N 0 3 309.841 2.415 20 30 DEEDHN C[C@@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001440783133 1181689427 /nfs/dbraw/zinc/68/94/27/1181689427.db2.gz MSKJZWFESXXZKI-BDAKNGLRSA-N 0 3 315.204 2.302 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(CCCC(C)(C)C)CCO2 ZINC001441218987 1181898901 /nfs/dbraw/zinc/89/89/01/1181898901.db2.gz GRUXFEOQTSYTTC-CRAIPNDOSA-N 0 3 321.465 2.276 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001441403965 1181979174 /nfs/dbraw/zinc/97/91/74/1181979174.db2.gz MPEVVERWYDORHR-SHTZXODSSA-N 0 3 307.825 2.312 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441514511 1182035492 /nfs/dbraw/zinc/03/54/92/1182035492.db2.gz PBKAWWKFOXSYFC-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001442044018 1182298092 /nfs/dbraw/zinc/29/80/92/1182298092.db2.gz DQQWEMNXBVTCDX-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001444097176 1183285020 /nfs/dbraw/zinc/28/50/20/1183285020.db2.gz APGDUVVJJRCKJN-HNNXBMFYSA-N 0 3 309.797 2.028 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CCn1ccnc1 ZINC001444818634 1183569409 /nfs/dbraw/zinc/56/94/09/1183569409.db2.gz CCTZGLSDKUOUSI-DZGCQCFKSA-N 0 3 324.856 2.242 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001447989798 1185003402 /nfs/dbraw/zinc/00/34/02/1185003402.db2.gz VSRHDIYPWXCSJI-OLZOCXBDSA-N 0 3 305.447 2.246 20 30 DEEDHN C[C@@H](CNC(=O)c1cccnc1)N(C)Cc1ccc(C#N)cc1 ZINC001447989551 1185004800 /nfs/dbraw/zinc/00/48/00/1185004800.db2.gz QRIJXPKCHHIQTO-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2c[nH]cn2)CCCCC1 ZINC001448222332 1185119893 /nfs/dbraw/zinc/11/98/93/1185119893.db2.gz DPDUNSWNMQMLLQ-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncnc2ccsc21 ZINC001448872788 1185444921 /nfs/dbraw/zinc/44/49/21/1185444921.db2.gz MLLCGLDZCCFMKZ-UHFFFAOYSA-N 0 3 304.419 2.271 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001448877334 1185445525 /nfs/dbraw/zinc/44/55/25/1185445525.db2.gz VZXMSVRIEYTKFR-UHFFFAOYSA-N 0 3 321.377 2.183 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001332106138 1149819616 /nfs/dbraw/zinc/81/96/16/1149819616.db2.gz OIOFCUOFJYPMLL-GVXVVHGQSA-N 0 3 303.328 2.199 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001332299791 1149845957 /nfs/dbraw/zinc/84/59/57/1149845957.db2.gz CKHRPIHVIODJQY-CABCVRRESA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(CC)c(CC)c1 ZINC001332678161 1149878902 /nfs/dbraw/zinc/87/89/02/1149878902.db2.gz 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C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H]1C ZINC001088680205 780707533 /nfs/dbraw/zinc/70/75/33/780707533.db2.gz GQVWDMRFPRAXRB-HIFRSBDPSA-N 0 3 312.417 2.342 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(OC)c(F)c2)[C@H]1C ZINC001088717827 780905742 /nfs/dbraw/zinc/90/57/42/780905742.db2.gz FWZIPTSGUDELLC-DOMZBBRYSA-N 0 3 306.381 2.142 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2-c2ccoc2)[C@H]1C ZINC001088767157 780968237 /nfs/dbraw/zinc/96/82/37/780968237.db2.gz BRVYCZDLKOWPNU-DOMZBBRYSA-N 0 3 314.389 2.059 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@H]1C ZINC001088783276 780981588 /nfs/dbraw/zinc/98/15/88/780981588.db2.gz LLCZWTCQOAAZEV-DOMZBBRYSA-N 0 3 311.385 2.319 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)[C@H]1C ZINC001088827861 781069481 /nfs/dbraw/zinc/06/94/81/781069481.db2.gz MGXUFCKOBZWBEQ-PBHICJAKSA-N 0 3 311.429 2.486 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(OC)c3)[C@@H]2C1 ZINC001076012585 781078828 /nfs/dbraw/zinc/07/88/28/781078828.db2.gz NZXGYOHXFBRGSP-DLBZAZTESA-N 0 3 312.413 2.173 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3sc(C)nc3C)[C@@H]2C1 ZINC001076063610 781104668 /nfs/dbraw/zinc/10/46/68/781104668.db2.gz AGVHUAHHDBCNRC-UONOGXRCSA-N 0 3 305.447 2.021 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4ccsc4[nH]3)[C@@H]2C1 ZINC001076109655 781125093 /nfs/dbraw/zinc/12/50/93/781125093.db2.gz VGLURWXEUIDRPC-DZGCQCFKSA-N 0 3 313.426 2.399 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CC)ccn2)C1 ZINC001091046753 790855247 /nfs/dbraw/zinc/85/52/47/790855247.db2.gz VVNQZVBETSFONO-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4cccnc43)[C@@H]2C1 ZINC001076160280 781146152 /nfs/dbraw/zinc/14/61/52/781146152.db2.gz VRKNMQCRIIQXHE-GVDBMIGSSA-N 0 3 311.429 2.220 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(-n4ccnc4)c3)[C@@H]2C1 ZINC001076421728 781257969 /nfs/dbraw/zinc/25/79/69/781257969.db2.gz AIAFCRURFYENFQ-FUHWJXTLSA-N 0 3 322.412 2.205 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccccc3C)[C@@H]2C1 ZINC001076525083 781295106 /nfs/dbraw/zinc/29/51/06/781295106.db2.gz VIHSNBAAYPHOOX-JKSUJKDBSA-N 0 3 300.402 2.093 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cccc(CC)c3)[C@@H]2C1 ZINC001076537145 781302565 /nfs/dbraw/zinc/30/25/65/781302565.db2.gz WQXRNHZCNJKGBN-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001076642137 781336323 /nfs/dbraw/zinc/33/63/23/781336323.db2.gz OBIBMXUUFRFXBW-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076952140 781435846 /nfs/dbraw/zinc/43/58/46/781435846.db2.gz OBMNXNJJPQZUMG-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC001126960063 781484753 /nfs/dbraw/zinc/48/47/53/781484753.db2.gz MQWGXHHVWHMTNP-JKSUJKDBSA-N 0 3 303.381 2.292 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001073863420 790922022 /nfs/dbraw/zinc/92/20/22/790922022.db2.gz PNPDEWDABKVVEB-BRWVUGGUSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2sccc2OC)C1 ZINC001073863698 790922279 /nfs/dbraw/zinc/92/22/79/790922279.db2.gz YVFJOOGNWXQUJH-CYBMUJFWSA-N 0 3 324.446 2.154 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2C(F)F)C[C@H]1C ZINC000947917371 783266745 /nfs/dbraw/zinc/26/67/45/783266745.db2.gz WNHYFVCYUCOYJT-GHMZBOCLSA-N 0 3 312.364 2.126 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnn1C ZINC001089613628 783275615 /nfs/dbraw/zinc/27/56/15/783275615.db2.gz ZNSREVOUIPDNLZ-AWEZNQCLSA-N 0 3 304.438 2.217 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cscn1 ZINC001089616459 783279943 /nfs/dbraw/zinc/27/99/43/783279943.db2.gz HNRIZIGZVGHFOS-ZDUSSCGKSA-N 0 3 305.447 2.387 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncnc2C2CC2)C[C@@H]1C ZINC000947989422 783286418 /nfs/dbraw/zinc/28/64/18/783286418.db2.gz KAVYQZQTYPWTRD-GXTWGEPZSA-N 0 3 300.406 2.123 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C[C@H]1C ZINC000948016473 783293889 /nfs/dbraw/zinc/29/38/89/783293889.db2.gz PGLRSBMIXZWMMM-HUUCEWRRSA-N 0 3 312.417 2.411 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)s2)C[C@@H]1C ZINC000948052615 783304232 /nfs/dbraw/zinc/30/42/32/783304232.db2.gz HODJUAWNTIGWQS-SMDDNHRTSA-N 0 3 305.447 2.366 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc(CC)s2)C[C@H]1C ZINC000948083526 783315349 /nfs/dbraw/zinc/31/53/49/783315349.db2.gz VKRVCLAAVRJZTJ-CHWSQXEVSA-N 0 3 305.447 2.312 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001089691750 783358682 /nfs/dbraw/zinc/35/86/82/783358682.db2.gz WXMKRWZTACJBRF-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001073883751 790941353 /nfs/dbraw/zinc/94/13/53/790941353.db2.gz WVLJUBVACLMEMU-OAHLLOKOSA-N 0 3 320.458 2.209 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(Cl)cnn2CC)CC1 ZINC000948408143 783456530 /nfs/dbraw/zinc/45/65/30/783456530.db2.gz LRACNODBXOOLHQ-ZDUSSCGKSA-N 0 3 322.840 2.116 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(OC)cc2F)CC1 ZINC000948583388 783512437 /nfs/dbraw/zinc/51/24/37/783512437.db2.gz QBGZAKOPGSEWAO-CQSZACIVSA-N 0 3 318.392 2.394 20 30 DEEDHN CCCCO[C@@H](C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001124459560 783543799 /nfs/dbraw/zinc/54/37/99/783543799.db2.gz MKYBTFZZWQEKFY-ZDUSSCGKSA-N 0 3 321.396 2.108 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1ccnn1C ZINC001085202348 783578839 /nfs/dbraw/zinc/57/88/39/783578839.db2.gz YPFRCAPNIMNTAT-BFHYXJOUSA-N 0 3 324.856 2.293 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)ccn1 ZINC001085294551 783625291 /nfs/dbraw/zinc/62/52/91/783625291.db2.gz QSOLJYZIHCDMEI-ZIAGYGMSSA-N 0 3 323.824 2.473 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCCF)cc1 ZINC001085356338 783650050 /nfs/dbraw/zinc/65/00/50/783650050.db2.gz RLTPQJIUMGKIIS-IAGOWNOFSA-N 0 3 318.392 2.299 20 30 DEEDHN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966812223 783766074 /nfs/dbraw/zinc/76/60/74/783766074.db2.gz KSRRXOAXTZXJRQ-AAEUAGOBSA-N 0 3 322.840 2.089 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001085600300 783874469 /nfs/dbraw/zinc/87/44/69/783874469.db2.gz PRPAUEYYZAGEMF-HNNXBMFYSA-N 0 3 317.437 2.116 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnn1CCC ZINC001085620354 783890585 /nfs/dbraw/zinc/89/05/85/783890585.db2.gz MUECJVVXKMKSHE-HNNXBMFYSA-N 0 3 304.438 2.406 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085616955 783891263 /nfs/dbraw/zinc/89/12/63/783891263.db2.gz AAZOISXTKOCFDO-LBPRGKRZSA-N 0 3 312.364 2.391 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001085634226 783911196 /nfs/dbraw/zinc/91/11/96/783911196.db2.gz LPSOKFFWBNCIAP-CQSZACIVSA-N 0 3 319.453 2.146 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967289558 783935832 /nfs/dbraw/zinc/93/58/32/783935832.db2.gz WUUWTZJHANJZDA-SWLSCSKDSA-N 0 3 318.417 2.273 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001085660715 783941634 /nfs/dbraw/zinc/94/16/34/783941634.db2.gz FVRLXKRXGSRHQY-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cncc(OC)c1C ZINC001085672046 783953768 /nfs/dbraw/zinc/95/37/68/783953768.db2.gz NTELHOBANHJMGV-AWEZNQCLSA-N 0 3 303.406 2.121 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)nc2sccn21 ZINC001085673549 783956714 /nfs/dbraw/zinc/95/67/14/783956714.db2.gz ZPCQOOSLHOYLAM-ZDUSSCGKSA-N 0 3 318.446 2.427 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001085688341 783968727 /nfs/dbraw/zinc/96/87/27/783968727.db2.gz HPCWZMZFBWLCQK-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC000967401614 783980315 /nfs/dbraw/zinc/98/03/15/783980315.db2.gz FANPBJCAMKBNTG-XJKSGUPXSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC000967401612 783980728 /nfs/dbraw/zinc/98/07/28/783980728.db2.gz FANPBJCAMKBNTG-CJNGLKHVSA-N 0 3 317.433 2.366 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108204946 783987900 /nfs/dbraw/zinc/98/79/00/783987900.db2.gz COZZRQDYLRCQPC-GOEBONIOSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2cncc(C)c2)C1 ZINC000967471017 784024222 /nfs/dbraw/zinc/02/42/22/784024222.db2.gz VWISOIGYABGYFW-NVXWUHKLSA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC001085755258 784044720 /nfs/dbraw/zinc/04/47/20/784044720.db2.gz AZPCDEULWRGTJZ-AWEZNQCLSA-N 0 3 314.389 2.254 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852551 784139633 /nfs/dbraw/zinc/13/96/33/784139633.db2.gz ZTBKFIWWHKBEKO-CQSZACIVSA-N 0 3 300.406 2.076 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)nn(CC)c1C ZINC001085876734 784168375 /nfs/dbraw/zinc/16/83/75/784168375.db2.gz IWMRHXMTESDDDK-HNNXBMFYSA-N 0 3 304.438 2.242 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967967374 784189821 /nfs/dbraw/zinc/18/98/21/784189821.db2.gz LVQUOIOXXVXMTJ-PBHICJAKSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914622 784203769 /nfs/dbraw/zinc/20/37/69/784203769.db2.gz FISWDGHVRQTSIX-MRXNPFEDSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)C[C@@H]1CCN1CC(C)C ZINC001085917397 784209102 /nfs/dbraw/zinc/20/91/02/784209102.db2.gz YRFHQMLNKLGQHE-HNNXBMFYSA-N 0 3 317.433 2.449 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC000968058868 784215700 /nfs/dbraw/zinc/21/57/00/784215700.db2.gz NJIYWJJIIAXRRY-GDBMZVCRSA-N 0 3 319.449 2.358 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063773 784217248 /nfs/dbraw/zinc/21/72/48/784217248.db2.gz YVVWZTLJCVEIRC-IUODEOHRSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001085922707 784222502 /nfs/dbraw/zinc/22/25/02/784222502.db2.gz IOBBIBXSMYULDQ-HOCLYGCPSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001085981590 784281765 /nfs/dbraw/zinc/28/17/65/784281765.db2.gz PKVCLFTXOORLPP-ZBFHGGJFSA-N 0 3 318.392 2.238 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC000968331171 784295235 /nfs/dbraw/zinc/29/52/35/784295235.db2.gz MCFMRBBBRWEJNP-KBPBESRZSA-N 0 3 319.453 2.049 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccncc2Cl)C1 ZINC000968331561 784295419 /nfs/dbraw/zinc/29/54/19/784295419.db2.gz PKYFLAMWWYXOTD-CZUORRHYSA-N 0 3 319.836 2.127 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001086005212 784306006 /nfs/dbraw/zinc/30/60/06/784306006.db2.gz ZNAYOQAEHOANHP-SJORKVTESA-N 0 3 314.429 2.407 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001066377268 784382420 /nfs/dbraw/zinc/38/24/20/784382420.db2.gz WIQMXXXHZHHPQA-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001074033659 791022793 /nfs/dbraw/zinc/02/27/93/791022793.db2.gz PCNCMPVJOAAXMQ-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC000968554831 784462977 /nfs/dbraw/zinc/46/29/77/784462977.db2.gz XXQJNCSSCXYFFS-GOEBONIOSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2OC)C1 ZINC000968580396 784476664 /nfs/dbraw/zinc/47/66/64/784476664.db2.gz VRWTZAHRKRRIBU-GOEBONIOSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC000968623560 784507870 /nfs/dbraw/zinc/50/78/70/784507870.db2.gz ITZBNTNGMNKKDM-RDTXWAMCSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC000968931376 784657377 /nfs/dbraw/zinc/65/73/77/784657377.db2.gz MRDRJTGGUQZWKU-AWEZNQCLSA-N 0 3 316.449 2.449 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC000968934133 784658073 /nfs/dbraw/zinc/65/80/73/784658073.db2.gz NTZXOMUNCRXDHH-ZDUSSCGKSA-N 0 3 307.394 2.234 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ncc2ccccn21 ZINC000968948684 784666057 /nfs/dbraw/zinc/66/60/57/784666057.db2.gz CWNRZXUDBWQJPS-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001086442474 784737005 /nfs/dbraw/zinc/73/70/05/784737005.db2.gz YNIYXKTXHDCSGZ-JOCQHMNTSA-N 0 3 323.824 2.255 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001086476492 784767584 /nfs/dbraw/zinc/76/75/84/784767584.db2.gz PLVVEFFNWCZFQO-NOLJZWGESA-N 0 3 319.836 2.033 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001086485264 784773263 /nfs/dbraw/zinc/77/32/63/784773263.db2.gz MVDIWASVAJWXCT-HAQNSBGRSA-N 0 3 310.829 2.384 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001007699922 784978266 /nfs/dbraw/zinc/97/82/66/784978266.db2.gz QSLSINBMEKCHNR-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H](Oc2ncccn2)C1 ZINC001171231354 791071136 /nfs/dbraw/zinc/07/11/36/791071136.db2.gz IRSFWHGMELUHPE-RHSMWYFYSA-N 0 3 308.385 2.433 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001007759040 784993597 /nfs/dbraw/zinc/99/35/97/784993597.db2.gz IRDARTSHVRTXFY-CYBMUJFWSA-N 0 3 302.422 2.059 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H](Oc2ncccn2)C1 ZINC001171231357 791071554 /nfs/dbraw/zinc/07/15/54/791071554.db2.gz IRSFWHGMELUHPE-WMLDXEAASA-N 0 3 308.385 2.433 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC001007792177 785008036 /nfs/dbraw/zinc/00/80/36/785008036.db2.gz NLIXKZOCIBTEKU-ZDUSSCGKSA-N 0 3 307.394 2.234 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001007832433 785021209 /nfs/dbraw/zinc/02/12/09/785021209.db2.gz TZRDXCSWINSBPQ-MRXNPFEDSA-N 0 3 301.434 2.342 20 30 DEEDHN C[C@@H](C(=O)NCCCNCc1cc(C#N)ccc1F)C1CC1 ZINC001156250221 785039843 /nfs/dbraw/zinc/03/98/43/785039843.db2.gz RGGUJSUADAXQMH-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001091299814 791082221 /nfs/dbraw/zinc/08/22/21/791082221.db2.gz CWTJMDSHBQRUEB-UHFFFAOYSA-N 0 3 318.755 2.129 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001008122606 785114350 /nfs/dbraw/zinc/11/43/50/785114350.db2.gz SSSBABNGLPUQRC-GOSISDBHSA-N 0 3 321.424 2.381 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(C[C@H](CC)OC)C2)cc1 ZINC001008150172 785121394 /nfs/dbraw/zinc/12/13/94/785121394.db2.gz SJRHONWOIYRYQA-ROUUACIJSA-N 0 3 314.429 2.287 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001008344710 785179371 /nfs/dbraw/zinc/17/93/71/785179371.db2.gz SXLDFWIJHHASBE-INIZCTEOSA-N 0 3 307.397 2.452 20 30 DEEDHN CO[C@H](C)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001169500460 785217075 /nfs/dbraw/zinc/21/70/75/785217075.db2.gz PWXOYVXCVPRMTR-HUUCEWRRSA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001008712666 785283207 /nfs/dbraw/zinc/28/32/07/785283207.db2.gz DTOVEUUYNFAJQL-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1C[C@H]1C(C)C ZINC001169679738 785299583 /nfs/dbraw/zinc/29/95/83/785299583.db2.gz HIOJMZMLYYYKCT-NWDGAFQWSA-N 0 3 303.244 2.283 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001008895657 785326459 /nfs/dbraw/zinc/32/64/59/785326459.db2.gz CGAVKOFLVBKNBS-INIZCTEOSA-N 0 3 312.417 2.193 20 30 DEEDHN N#Cc1cncc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001169747468 785334958 /nfs/dbraw/zinc/33/49/58/785334958.db2.gz XQYKAOOQTQALED-GOSISDBHSA-N 0 3 320.396 2.348 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001009092072 785382961 /nfs/dbraw/zinc/38/29/61/785382961.db2.gz FKDATCPOGTUPGI-LBPRGKRZSA-N 0 3 301.415 2.447 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC[C@@H](C)F)C2)cn1 ZINC001009276699 785422357 /nfs/dbraw/zinc/42/23/57/785422357.db2.gz PGJIQHKCOWVIKV-CZUORRHYSA-N 0 3 303.381 2.005 20 30 DEEDHN C[C@@H](CNc1cccc(F)c1C#N)NC(=O)CN1CCC[C@@H]1C ZINC001108695858 785497533 /nfs/dbraw/zinc/49/75/33/785497533.db2.gz SGBHOURIMPSROA-STQMWFEESA-N 0 3 318.396 2.098 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001109087810 785690718 /nfs/dbraw/zinc/69/07/18/785690718.db2.gz CGPKFFJBQKHLPG-UXOAXIEHSA-N 0 3 303.431 2.172 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCOCCC=C)C2 ZINC001109281471 785791618 /nfs/dbraw/zinc/79/16/18/785791618.db2.gz HXQISXAISGVGNA-SQNIBIBYSA-N 0 3 318.461 2.494 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109466171 785889702 /nfs/dbraw/zinc/88/97/02/785889702.db2.gz NRYUMJOMJBKXTN-RDBSUJKOSA-N 0 3 313.873 2.191 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOCCOCC)C2 ZINC001109975609 786120167 /nfs/dbraw/zinc/12/01/67/786120167.db2.gz WWSVJHQYJHLIMB-IKGGRYGDSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ccccn1)C2 ZINC001110014874 786128220 /nfs/dbraw/zinc/12/82/20/786128220.db2.gz MPLLWWFLGQJNFF-SQNIBIBYSA-N 0 3 311.429 2.149 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001112813900 786234358 /nfs/dbraw/zinc/23/43/58/786234358.db2.gz DEOOMPVUKNTGOS-SFHVURJKSA-N 0 3 320.477 2.428 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001112862517 786259449 /nfs/dbraw/zinc/25/94/49/786259449.db2.gz OJLUYTUCVDDWSY-GJZGRUSLSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001112965249 786332049 /nfs/dbraw/zinc/33/20/49/786332049.db2.gz GRAUPLBHCFDBAO-HOTGVXAUSA-N 0 3 316.449 2.259 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001086583335 786448190 /nfs/dbraw/zinc/44/81/90/786448190.db2.gz HLZCZZCUJQNMCX-RBUKOAKNSA-N 0 3 321.424 2.246 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001015095372 786894800 /nfs/dbraw/zinc/89/48/00/786894800.db2.gz ZYWSPTXZBABDHR-NSHDSACASA-N 0 3 308.813 2.321 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001015218198 786942050 /nfs/dbraw/zinc/94/20/50/786942050.db2.gz FERABARWMNXKOE-ZDUSSCGKSA-N 0 3 312.369 2.269 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC001170408459 786947558 /nfs/dbraw/zinc/94/75/58/786947558.db2.gz FHPDNLVWRBYHDH-ZIAGYGMSSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001113867786 786973143 /nfs/dbraw/zinc/97/31/43/786973143.db2.gz 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ZINC001170450410 787217057 /nfs/dbraw/zinc/21/70/57/787217057.db2.gz YEQUIEKTHIUCNW-UHFFFAOYSA-N 0 3 319.236 2.098 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccn3c2CCCC3)c1 ZINC001129697549 787238198 /nfs/dbraw/zinc/23/81/98/787238198.db2.gz UCTQISCPXVCCDE-UHFFFAOYSA-N 0 3 322.412 2.216 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCCC23CC3)cc1F ZINC001130208222 787316054 /nfs/dbraw/zinc/31/60/54/787316054.db2.gz GNRVXJKSCIFYKF-OAHLLOKOSA-N 0 3 315.392 2.483 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@H](C)C(C)(C)C)cc1C#N ZINC001130289331 787334339 /nfs/dbraw/zinc/33/43/39/787334339.db2.gz NBQAPSMQJHRERK-CYBMUJFWSA-N 0 3 317.433 2.455 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C(CC)CC)C1 ZINC001130345302 787352889 /nfs/dbraw/zinc/35/28/89/787352889.db2.gz JEEBLGSCIRIWSB-AWEZNQCLSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)/C=C(\C)C2CC2)C1 ZINC001130352701 787358869 /nfs/dbraw/zinc/35/88/69/787358869.db2.gz XDVHPRKDWMCVQI-BMQCOBNYSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)SC)C1 ZINC001130373168 787362662 /nfs/dbraw/zinc/36/26/62/787362662.db2.gz HFCIUJBRDZYWRM-JSGCOSHPSA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCOc1ccccc1C(=O)NCCNCc1cccnc1 ZINC001130374439 787364167 /nfs/dbraw/zinc/36/41/67/787364167.db2.gz RIOULBSBNLFKDX-UHFFFAOYSA-N 0 3 311.385 2.166 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)CCC)C1 ZINC001130365719 787367832 /nfs/dbraw/zinc/36/78/32/787367832.db2.gz ZUOHBBKKIDIMRP-UONOGXRCSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC2(C)CC2)C1 ZINC001130405348 787378581 /nfs/dbraw/zinc/37/85/81/787378581.db2.gz DHRQILYIHFPSPF-CYBMUJFWSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(C)CC=CC2)C1 ZINC001130417149 787390334 /nfs/dbraw/zinc/39/03/34/787390334.db2.gz DZIDDIFPYBHOPP-CQSZACIVSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1noc3c1CCCC3)C2 ZINC001096058346 787480994 /nfs/dbraw/zinc/48/09/94/787480994.db2.gz IPENRMJAMFOCJD-SNPRPXQTSA-N 0 3 315.417 2.465 20 30 DEEDHN C[C@@H](CC(F)F)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001131450416 787624800 /nfs/dbraw/zinc/62/48/00/787624800.db2.gz WONLCJMDOPPHDC-JTQLQIEISA-N 0 3 313.323 2.194 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CCOCC)C2)C1 ZINC001131676523 787687679 /nfs/dbraw/zinc/68/76/79/787687679.db2.gz BBIMIJUUZBZFCA-FUHWJXTLSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@H](C)O2 ZINC001131694462 787692912 /nfs/dbraw/zinc/69/29/12/787692912.db2.gz XROCQJUCKSGWLV-QFBILLFUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001096682709 787791992 /nfs/dbraw/zinc/79/19/92/787791992.db2.gz IUEYNJVXZRENNZ-UGUYLWEFSA-N 0 3 304.434 2.101 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001096659045 787796816 /nfs/dbraw/zinc/79/68/16/787796816.db2.gz YUWLCALMMXAXFU-SIXLDLHFSA-N 0 3 312.413 2.460 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCOCC(F)F)CC[C@@H]1C 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C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(F)cn1)C2 ZINC001097355674 788071271 /nfs/dbraw/zinc/07/12/71/788071271.db2.gz KDAYAQYLBSGVOT-OAGGEKHMSA-N 0 3 303.381 2.061 20 30 DEEDHN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cncn3c1C)C2 ZINC001097395705 788083055 /nfs/dbraw/zinc/08/30/55/788083055.db2.gz VUEKDZGDOAPDBS-OLMNPRSZSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@@H]1C ZINC001132487113 788093649 /nfs/dbraw/zinc/09/36/49/788093649.db2.gz RMTULICOLAJMGH-HOTGVXAUSA-N 0 3 319.449 2.293 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2c[nH]cc2C)CC[C@H]1C ZINC001132482521 788097942 /nfs/dbraw/zinc/09/79/42/788097942.db2.gz WLYPWSOHRZQECO-HUUCEWRRSA-N 0 3 305.422 2.108 20 30 DEEDHN C#CCN1CC[C@H](CN(Cc2scnc2C)C(=O)C(C)C)C1 ZINC001132558440 788129672 /nfs/dbraw/zinc/12/96/72/788129672.db2.gz MNOOYFYMHITYTN-HNNXBMFYSA-N 0 3 319.474 2.391 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132569378 788133264 /nfs/dbraw/zinc/13/32/64/788133264.db2.gz 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C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CCCOC ZINC001133792620 788608795 /nfs/dbraw/zinc/60/87/95/788608795.db2.gz BJGWSUASKCKEEV-NWDGAFQWSA-N 0 3 321.259 2.195 20 30 DEEDHN C[C@H](CCCCNCc1nccn1C)NC(=O)C#CC(C)(C)C ZINC001170708754 788628256 /nfs/dbraw/zinc/62/82/56/788628256.db2.gz CQBUQQAOXADAMA-OAHLLOKOSA-N 0 3 318.465 2.234 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)C[C@H](C)CCCCC)C1=O ZINC001134821869 789099445 /nfs/dbraw/zinc/09/94/45/789099445.db2.gz STPNDRQVMPRGFB-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCNCCNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001135405352 789320703 /nfs/dbraw/zinc/32/07/03/789320703.db2.gz HKUCSDLAAMQLGE-HZPDHXFCSA-N 0 3 308.466 2.195 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2cc(C)n(C)n2)C1 ZINC001135427141 789336017 /nfs/dbraw/zinc/33/60/17/789336017.db2.gz MKAYJKKGLNTURO-ZIAGYGMSSA-N 0 3 318.465 2.458 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001070767541 789451733 /nfs/dbraw/zinc/45/17/33/789451733.db2.gz 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DEEDHN C=CCCN1C[C@H](NC(=O)c2cc(OC)ns2)CC[C@H]1C ZINC001071516758 789753483 /nfs/dbraw/zinc/75/34/83/789753483.db2.gz BHYVQSGNYOSABJ-VXGBXAGGSA-N 0 3 309.435 2.311 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nnc2C)CC[C@@H]1C ZINC001071532042 789763515 /nfs/dbraw/zinc/76/35/15/789763515.db2.gz VGDDBJIFCMUUON-ZFWWWQNUSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(C(C)(C)C)n2)CC[C@@H]1C ZINC001071548726 789773764 /nfs/dbraw/zinc/77/37/64/789773764.db2.gz KYSIGHRRVYSLER-LSDHHAIUSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2nc(CC)c[nH]2)CC[C@H]1C ZINC001071579477 789791016 /nfs/dbraw/zinc/79/10/16/789791016.db2.gz FIGHHSKOSBIKLC-UKRRQHHQSA-N 0 3 304.438 2.060 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ncnc3[nH]ccc32)CC[C@H]1C ZINC001071648007 789840173 /nfs/dbraw/zinc/84/01/73/789840173.db2.gz LBRMSSILACUMTK-CHWSQXEVSA-N 0 3 313.405 2.068 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@@H]1C ZINC001071678909 789859343 /nfs/dbraw/zinc/85/93/43/789859343.db2.gz 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/nfs/dbraw/zinc/96/11/46/789961146.db2.gz WMZCGLJGFUGMNR-AAEUAGOBSA-N 0 3 323.824 2.171 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)nn2C)CC[C@H]1C ZINC001071923677 789974442 /nfs/dbraw/zinc/97/44/42/789974442.db2.gz MGHNZVAMAYXLNA-UKRRQHHQSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(CCC)c2C)CC[C@H]1C ZINC001071931367 789977030 /nfs/dbraw/zinc/97/70/30/789977030.db2.gz UKLSDKRRJCHEFG-GDBMZVCRSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@@H]1C ZINC001071973630 789995259 /nfs/dbraw/zinc/99/52/59/789995259.db2.gz HRKZACPGHDBUKP-ZFWWWQNUSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)CC[C@@H]1C ZINC001071973630 789995261 /nfs/dbraw/zinc/99/52/61/789995261.db2.gz HRKZACPGHDBUKP-ZFWWWQNUSA-N 0 3 316.449 2.448 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CN2CCc3ccccc32)CC[C@@H]1C ZINC001072076603 790043397 /nfs/dbraw/zinc/04/33/97/790043397.db2.gz RXQYTXTVPBEZRD-DOTOQJQBSA-N 0 3 313.445 2.204 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)CC[C@@H]1C ZINC001072099607 790051982 /nfs/dbraw/zinc/05/19/82/790051982.db2.gz UBORDYLEOIBHPQ-AAEUAGOBSA-N 0 3 321.446 2.006 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)nsc2C)CC[C@H]1C ZINC001072105739 790054182 /nfs/dbraw/zinc/05/41/82/790054182.db2.gz LFKLUIXEJOYYOJ-BXUZGUMPSA-N 0 3 305.447 2.366 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(Cl)n[nH]c3C3CC3)C2)C1 ZINC001072808884 790254859 /nfs/dbraw/zinc/25/48/59/790254859.db2.gz VTPQWNLOIDRQIA-UHFFFAOYSA-N 0 3 320.824 2.274 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cncn3-c3ccccc3)C2)C1 ZINC001072814859 790257095 /nfs/dbraw/zinc/25/70/95/790257095.db2.gz NBKHFKXVIIOMMJ-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)C[C@H]1C ZINC001075004159 791426380 /nfs/dbraw/zinc/42/63/80/791426380.db2.gz LZSSJBDMJYWYMT-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001075097409 791460062 /nfs/dbraw/zinc/46/00/62/791460062.db2.gz 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/nfs/dbraw/zinc/66/73/02/791667302.db2.gz FFVRWNBNVSNERE-UHFFFAOYSA-N 0 3 308.466 2.406 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2csnc2C)C1 ZINC001098800607 791709574 /nfs/dbraw/zinc/70/95/74/791709574.db2.gz JZTVIOXFEIFLAN-BBRMVZONSA-N 0 3 303.431 2.059 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(Cl)s2)cn1 ZINC001148382761 791743479 /nfs/dbraw/zinc/74/34/79/791743479.db2.gz DZUOEBTUSRNGOK-UHFFFAOYSA-N 0 3 319.817 2.297 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001148727671 791793595 /nfs/dbraw/zinc/79/35/95/791793595.db2.gz FMBBNRIEHFBCOY-UHFFFAOYSA-N 0 3 313.486 2.358 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(F)c(C)cc3F)C[C@]2(C)C1 ZINC001091757747 791813598 /nfs/dbraw/zinc/81/35/98/791813598.db2.gz WLJBRSWNZDBIHJ-ACJLOTCBSA-N 0 3 318.367 2.300 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(CC)on2)C1 ZINC001086856581 791834311 /nfs/dbraw/zinc/83/43/11/791834311.db2.gz IKNBGPIBUPOXIM-NWDGAFQWSA-N 0 3 311.813 2.478 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cscn3)C2)CC1 ZINC001086909414 791847058 /nfs/dbraw/zinc/84/70/58/791847058.db2.gz VLUXEVWYQYZCAJ-CQSZACIVSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3=COCCC3)C2)CC1 ZINC001086909482 791847087 /nfs/dbraw/zinc/84/70/87/791847087.db2.gz WQPNIMLHJLXRQR-OAHLLOKOSA-N 0 3 302.418 2.017 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3oc(C)nc3C)C2)CC1 ZINC001086910748 791847695 /nfs/dbraw/zinc/84/76/95/791847695.db2.gz AJKUWVDCFSKQNZ-CYBMUJFWSA-N 0 3 315.417 2.241 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ocnc3C)C2)CC1 ZINC001086913305 791848521 /nfs/dbraw/zinc/84/85/21/791848521.db2.gz MBJXPWZRYLVENJ-AWEZNQCLSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ncccc3C)C2)CC1 ZINC001086913945 791849399 /nfs/dbraw/zinc/84/93/99/791849399.db2.gz BOPBYJFEFOEUNW-MRXNPFEDSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3coc(CC)n3)C2)CC1 ZINC001086917652 791850117 /nfs/dbraw/zinc/85/01/17/791850117.db2.gz PLWUCLPQTTXLQM-AWEZNQCLSA-N 0 3 315.417 2.187 20 30 DEEDHN C[C@H]1CN(O)C(=O)[C@H]1Nc1cccc(N2CCCC[C@H]2C)n1 ZINC001171362303 791871703 /nfs/dbraw/zinc/87/17/03/791871703.db2.gz AYOGCPFNZMVINO-ZOWXZIJZSA-N 0 3 304.394 2.108 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)n(CC)c3C)C[C@]2(C)C1 ZINC001091830726 791887944 /nfs/dbraw/zinc/88/79/44/791887944.db2.gz PBZAIYDNRFVADZ-APWZRJJASA-N 0 3 313.445 2.152 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc[nH]c3CCC)C[C@]2(C)C1 ZINC001091941922 791909066 /nfs/dbraw/zinc/90/90/66/791909066.db2.gz VCMDOAKFHOKCMA-BEFAXECRSA-N 0 3 313.445 2.384 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3nc(Cl)cs3)C[C@]2(C)C1 ZINC001091952559 791911863 /nfs/dbraw/zinc/91/18/63/791911863.db2.gz LLHVLLSORSDYJP-ABAIWWIYSA-N 0 3 323.849 2.214 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ocnc3C(F)F)C[C@]2(C)C1 ZINC001092016500 791922535 /nfs/dbraw/zinc/92/25/35/791922535.db2.gz SFPOSOPYGWPPTK-BZNIZROVSA-N 0 3 323.343 2.029 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)ccc3F)C[C@]2(C)C1 ZINC001092048615 791930743 /nfs/dbraw/zinc/93/07/43/791930743.db2.gz VBUFWHJMACTRKC-KDOFPFPSSA-N 0 3 300.377 2.161 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001098860750 791964699 /nfs/dbraw/zinc/96/46/99/791964699.db2.gz WNQGTSPLJCOYOV-KSSFIOAISA-N 0 3 314.433 2.068 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001098877159 791971900 /nfs/dbraw/zinc/97/19/00/791971900.db2.gz NPFUDWORSPOJEO-ZBEGNZNMSA-N 0 3 322.840 2.396 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(c4cccc(C)c4)CC3)C[C@]2(C)C1 ZINC001092302868 791974546 /nfs/dbraw/zinc/97/45/46/791974546.db2.gz BQQRBADJFLRWNH-QUCCMNQESA-N 0 3 322.452 2.440 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(c4ccccc4C)CC3)C[C@]2(C)C1 ZINC001092320851 791979130 /nfs/dbraw/zinc/97/91/30/791979130.db2.gz ZMLAXEFEXFITHD-XLIONFOSSA-N 0 3 322.452 2.440 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1CCOC1CCC1 ZINC001098982160 792013896 /nfs/dbraw/zinc/01/38/96/792013896.db2.gz IVVMBWFHIRHBFI-HUUCEWRRSA-N 0 3 321.465 2.322 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnoc2CC)C1 ZINC001099059105 792067285 /nfs/dbraw/zinc/06/72/85/792067285.db2.gz WTLSASFIANCIHU-GUYCJALGSA-N 0 3 303.406 2.397 20 30 DEEDHN CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)C ZINC001099064439 792071742 /nfs/dbraw/zinc/07/17/42/792071742.db2.gz CSDODDGGIYIDPO-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)c1ccnn1C ZINC001099080151 792080301 /nfs/dbraw/zinc/08/03/01/792080301.db2.gz MXRJUVBPXKAWQQ-GJZGRUSLSA-N 0 3 318.465 2.316 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ccn(C)n1 ZINC001099098656 792091830 /nfs/dbraw/zinc/09/18/30/792091830.db2.gz UBOABIMGZGEJEZ-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccnc(-c3ccco3)c2)[C@H](C)C1 ZINC001092710500 792115654 /nfs/dbraw/zinc/11/56/54/792115654.db2.gz LUAYIDJXSZFNHG-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc3oc(C)nc3c2)[C@H](C)C1 ZINC001092712936 792116722 /nfs/dbraw/zinc/11/67/22/792116722.db2.gz ALMVDSMBSTXYNF-IUODEOHRSA-N 0 3 311.385 2.067 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)COCC(F)F ZINC001099153022 792118216 /nfs/dbraw/zinc/11/82/16/792118216.db2.gz DJYQBRONSMKKGV-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cn1ccc(C)n1 ZINC001099233881 792145269 /nfs/dbraw/zinc/14/52/69/792145269.db2.gz CWAYBXNFYHZOTO-INIZCTEOSA-N 0 3 318.465 2.374 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC001099236835 792147765 /nfs/dbraw/zinc/14/77/65/792147765.db2.gz RBPOYRYDYRYIHE-YNEHKIRRSA-N 0 3 320.355 2.111 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1C(F)(F)F ZINC001099244160 792150077 /nfs/dbraw/zinc/15/00/77/792150077.db2.gz YRDZFDAQZBBLKX-FBVTZJDUSA-N 0 3 313.323 2.193 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1cnccn1 ZINC001099299715 792165316 /nfs/dbraw/zinc/16/53/16/792165316.db2.gz UZESXGXURPPLRV-INIZCTEOSA-N 0 3 316.449 2.202 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C[C@@H]1O ZINC001099726889 792328716 /nfs/dbraw/zinc/32/87/16/792328716.db2.gz KPKUSTBZLMINDO-MSOLQXFVSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)F)CC1 ZINC001093351409 792330276 /nfs/dbraw/zinc/33/02/76/792330276.db2.gz KKDKVYUWVNZJLF-OAHLLOKOSA-N 0 3 306.425 2.461 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCC2CCCCC2)[C@H](O)C1 ZINC001100096659 792472025 /nfs/dbraw/zinc/47/20/25/792472025.db2.gz KZZFVYIROMSMBN-DLBZAZTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100166717 792494917 /nfs/dbraw/zinc/49/49/17/792494917.db2.gz OKZZJWHKEGSAOU-HPUBIQBYSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100373711 792618353 /nfs/dbraw/zinc/61/83/53/792618353.db2.gz HUQPJCIBCFSETP-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN CC[C@H](F)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100580074 792731235 /nfs/dbraw/zinc/73/12/35/792731235.db2.gz BIOLPTXWUKRPOP-JCYILVPMSA-N 0 3 302.393 2.271 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100711349 792805062 /nfs/dbraw/zinc/80/50/62/792805062.db2.gz KZSQVFNZYPFGCQ-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc(CC)n3)CCC[C@@H]12 ZINC001094433484 792916011 /nfs/dbraw/zinc/91/60/11/792916011.db2.gz NKGWGJBBNNGGRE-IEBWSBKVSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ncoc3C(C)C)CCC[C@@H]12 ZINC001094555248 793000011 /nfs/dbraw/zinc/00/00/11/793000011.db2.gz JRXUDLKXONCHQZ-RDTXWAMCSA-N 0 3 315.417 2.406 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](N2CCC(CC#N)CC2)CC1=O ZINC001171712207 793179573 /nfs/dbraw/zinc/17/95/73/793179573.db2.gz AAOORBFRGNCVAE-CYBMUJFWSA-N 0 3 307.394 2.148 20 30 DEEDHN C=CC[C@@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171732492 793187214 /nfs/dbraw/zinc/18/72/14/793187214.db2.gz BDXKKUDMOMOVSP-USXIJHARSA-N 0 3 302.418 2.357 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC2(CN(C[C@@H](C)CC)C2)n2ccnc21 ZINC001101615370 793272105 /nfs/dbraw/zinc/27/21/05/793272105.db2.gz IIGBQBBHWZLKJA-LSDHHAIUSA-N 0 3 316.449 2.467 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001101794957 793380115 /nfs/dbraw/zinc/38/01/15/793380115.db2.gz HNEGOFWEULDYHJ-ANIPRKEASA-N 0 3 314.857 2.404 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCOC2(CCOCC2)C1 ZINC001172311126 793394266 /nfs/dbraw/zinc/39/42/66/793394266.db2.gz PGHBKVYAVJDRIC-OAHLLOKOSA-N 0 3 300.402 2.371 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001172312954 793394955 /nfs/dbraw/zinc/39/49/55/793394955.db2.gz MUOFQHDXBQIYHH-RHSMWYFYSA-N 0 3 314.433 2.225 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN([C@@H](C)c2cnccn2)C[C@H]1C ZINC001101919344 793440178 /nfs/dbraw/zinc/44/01/78/793440178.db2.gz IIKJUYRJVSNPBS-OWCLPIDISA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN([C@H](C)c2cnccn2)C[C@H]1C ZINC001101919343 793440604 /nfs/dbraw/zinc/44/06/04/793440604.db2.gz IIKJUYRJVSNPBS-BZUAXINKSA-N 0 3 314.433 2.025 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@@H]2C=CCCC2)[C@H](C)C1 ZINC001102081085 793498192 /nfs/dbraw/zinc/49/81/92/793498192.db2.gz KVYWGLGPTBISBC-KZNAEPCWSA-N 0 3 318.461 2.067 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCC(N2CC[C@](C)(C#N)C2)CC1 ZINC001172893476 793529252 /nfs/dbraw/zinc/52/92/52/793529252.db2.gz CSUWHXIYMGTNMI-QGZVFWFLSA-N 0 3 307.438 2.028 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC3(COC3)C2)C[C@H]1C#N ZINC001172987661 793550940 /nfs/dbraw/zinc/55/09/40/793550940.db2.gz FKLMIGMYTAAZOZ-KGLIPLIRSA-N 0 3 321.421 2.000 20 30 DEEDHN C[C@@H]1CC[C@@H](O)CN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981668 793551315 /nfs/dbraw/zinc/55/13/15/793551315.db2.gz XYZWSXXILINSMA-CBBWQLFWSA-N 0 3 323.437 2.123 20 30 DEEDHN CC[C@H](CC(C)C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102501137 793634242 /nfs/dbraw/zinc/63/42/42/793634242.db2.gz RXYVOIXNHUKOOZ-KZNAEPCWSA-N 0 3 322.493 2.393 20 30 DEEDHN CC[C@@H](CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C)C(C)C ZINC001102520073 793637800 /nfs/dbraw/zinc/63/78/00/793637800.db2.gz VMPJNLXQHJXUDA-FGTMMUONSA-N 0 3 322.493 2.393 20 30 DEEDHN CC[C@H](CNC(=O)CN(C)C(C)C)Nc1cccc(F)c1C#N ZINC001103109548 793943153 /nfs/dbraw/zinc/94/31/53/793943153.db2.gz NNGHQRROWCXPMK-CYBMUJFWSA-N 0 3 320.412 2.344 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001174636491 794026558 /nfs/dbraw/zinc/02/65/58/794026558.db2.gz ALFDAJWSKYFXFF-CYBMUJFWSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn(CC)cn2)C1 ZINC001103647823 794176492 /nfs/dbraw/zinc/17/64/92/794176492.db2.gz FJFQTYQLFIBABS-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C ZINC001103892864 794286349 /nfs/dbraw/zinc/28/63/49/794286349.db2.gz XTQCRLFBVDJDSS-TZMCWYRMSA-N 0 3 309.841 2.465 20 30 DEEDHN CC[C@@H](C(=O)NCC1(Nc2cccc(F)c2C#N)CC1)N(C)C ZINC001110192649 794341661 /nfs/dbraw/zinc/34/16/61/794341661.db2.gz VQICQCDPFAOFEY-HNNXBMFYSA-N 0 3 318.396 2.098 20 30 DEEDHN Cc1c[nH]cc1C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001176049096 794348096 /nfs/dbraw/zinc/34/80/96/794348096.db2.gz HBQKNUDPDMYWGO-UHFFFAOYSA-N 0 3 314.364 2.244 20 30 DEEDHN Cc1ncc(CNCCCNC(=O)CC#Cc2ccccc2)o1 ZINC001176768182 794500665 /nfs/dbraw/zinc/50/06/65/794500665.db2.gz LIXKWEZVXKQHPI-UHFFFAOYSA-N 0 3 311.385 2.021 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001176801420 794513893 /nfs/dbraw/zinc/51/38/93/794513893.db2.gz KYLMRSBFQANULY-AWEZNQCLSA-N 0 3 323.437 2.340 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112100668 794559447 /nfs/dbraw/zinc/55/94/47/794559447.db2.gz IYQRSRSHTMOJLU-CHWSQXEVSA-N 0 3 314.351 2.038 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cn(C)cn2)CCCCC1 ZINC001115482173 794791252 /nfs/dbraw/zinc/79/12/52/794791252.db2.gz WTWYEFXTWYXFAG-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN C=CC[NH2+]C1(CNC(=O)c2cccc3n[n-]nc32)CCCCC1 ZINC001115552579 794817856 /nfs/dbraw/zinc/81/78/56/794817856.db2.gz ZOIGGXSOGFXMLI-UHFFFAOYSA-N 0 3 313.405 2.166 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(C)(C)CC)[C@@H]1C ZINC001178315109 794897910 /nfs/dbraw/zinc/89/79/10/794897910.db2.gz CIMFZHVDKQUIQE-ILXRZTDVSA-N 0 3 323.481 2.225 20 30 DEEDHN Cn1ccc(CNCCCCCCNC(=O)C#CC(C)(C)C)n1 ZINC001178438091 794913100 /nfs/dbraw/zinc/91/31/00/794913100.db2.gz BIMXBFAAOBUATO-UHFFFAOYSA-N 0 3 318.465 2.236 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@@H](O)COc2ccc(OCC)cc2)C1 ZINC001116556739 794968768 /nfs/dbraw/zinc/96/87/68/794968768.db2.gz RZCNWPLDDYJYDR-CRAIPNDOSA-N 0 3 321.417 2.102 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001178773280 795004104 /nfs/dbraw/zinc/00/41/04/795004104.db2.gz FRAMTTRLSXTZRD-YOEHRIQHSA-N 0 3 316.449 2.268 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1cn(CC)nn1 ZINC001179235582 795082080 /nfs/dbraw/zinc/08/20/80/795082080.db2.gz VJJBLPQIMLWYKJ-UHFFFAOYSA-N 0 3 321.469 2.276 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC(C)C)[C@H]1C ZINC001179590766 795138670 /nfs/dbraw/zinc/13/86/70/795138670.db2.gz SAMOQDHQLHBPJC-PMPSAXMXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001180269684 795267389 /nfs/dbraw/zinc/26/73/89/795267389.db2.gz XBDNAXKQFFZJAR-VBQJREDUSA-N 0 3 320.408 2.496 20 30 DEEDHN CN(C)Cc1cccc(C(=O)NCCCCCCNCC#N)c1 ZINC001180357221 795281298 /nfs/dbraw/zinc/28/12/98/795281298.db2.gz PGWDAWSUOLLMJT-UHFFFAOYSA-N 0 3 316.449 2.152 20 30 DEEDHN CCOc1ccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c(O)c1 ZINC001119516058 795316110 /nfs/dbraw/zinc/31/61/10/795316110.db2.gz NPEGMBATRWEHIZ-ZIAGYGMSSA-N 0 3 303.406 2.209 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001119834599 795361945 /nfs/dbraw/zinc/36/19/45/795361945.db2.gz ALKZIZAHQAXZGO-SWLSCSKDSA-N 0 3 317.364 2.006 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2[nH]cnc2C)CCCCC1 ZINC001120062286 795400770 /nfs/dbraw/zinc/40/07/70/795400770.db2.gz KMDIXBDMCQXMJY-UHFFFAOYSA-N 0 3 324.856 2.422 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)COCC)C1 ZINC001120307908 795438316 /nfs/dbraw/zinc/43/83/16/795438316.db2.gz CGLLUQKBMYEMCQ-CABCVRRESA-N 0 3 314.857 2.478 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]1(C)CNCc1nccs1 ZINC001181412529 795468275 /nfs/dbraw/zinc/46/82/75/795468275.db2.gz ZUMDGFQHIJOBOU-CXAGYDPISA-N 0 3 317.458 2.131 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cncc(C)c2)C1 ZINC001181475348 795483612 /nfs/dbraw/zinc/48/36/12/795483612.db2.gz ANYXXOVJKZJTHF-DOTOQJQBSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC[C@H](O)c2cc(F)ccc2F)C1 ZINC001181543340 795491251 /nfs/dbraw/zinc/49/12/51/795491251.db2.gz OKKUOAFTUGDWSW-CJNGLKHVSA-N 0 3 324.371 2.155 20 30 DEEDHN Cc1csc(CNC2CC3(C2)CC(NC(=O)[C@@H](C)C#N)C3)n1 ZINC001120834159 795539110 /nfs/dbraw/zinc/53/91/10/795539110.db2.gz FMXIOLQRMPGJNN-MAFMQUBESA-N 0 3 318.446 2.128 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC001121965519 795710488 /nfs/dbraw/zinc/71/04/88/795710488.db2.gz LZJAXLFZWOMRAP-KKUMJFAQSA-N 0 3 311.470 2.225 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCCc1nc2ccccc2n1C ZINC001122003710 795714795 /nfs/dbraw/zinc/71/47/95/795714795.db2.gz WUPPTNNQTVATJA-AWEZNQCLSA-N 0 3 314.433 2.306 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001122537031 795773985 /nfs/dbraw/zinc/77/39/85/795773985.db2.gz FJDXXBLNNAAYOR-SOUVJXGZSA-N 0 3 321.469 2.217 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccnn2C(CC)CC)C1 ZINC001183256573 795840196 /nfs/dbraw/zinc/84/01/96/795840196.db2.gz ZSRYBISBKOLWKQ-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001183325881 795856556 /nfs/dbraw/zinc/85/65/56/795856556.db2.gz JOSKLFRJYGVTOU-OAHLLOKOSA-N 0 3 314.433 2.285 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2nccs2)CC1 ZINC001151367472 795959567 /nfs/dbraw/zinc/95/95/67/795959567.db2.gz GNOXXCBCWMRXCD-UHFFFAOYSA-N 0 3 323.462 2.320 20 30 DEEDHN COc1cc(C)c(C[NH2+]CCNc2ccc(C#N)cn2)c([O-])c1 ZINC001183982374 795972939 /nfs/dbraw/zinc/97/29/39/795972939.db2.gz ZYEYHHLOENDJSU-UHFFFAOYSA-N 0 3 312.373 2.178 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001185056055 796171106 /nfs/dbraw/zinc/17/11/06/796171106.db2.gz GJJHIJYBUSQWNM-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@H](C)[C@@H]2CO)cc1OC ZINC001138343569 796202089 /nfs/dbraw/zinc/20/20/89/796202089.db2.gz MRCJQDVGMQBODH-ZBFHGGJFSA-N 0 3 303.402 2.300 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@](C)(C(=O)OC)C2)cc1OC ZINC001138348311 796202586 /nfs/dbraw/zinc/20/25/86/796202586.db2.gz QSIPHAZDQWFNSX-GOSISDBHSA-N 0 3 317.385 2.092 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOCc2ccccc2)C1 ZINC001185272730 796226488 /nfs/dbraw/zinc/22/64/88/796226488.db2.gz ZFOCSCLWSMGSLD-GOSISDBHSA-N 0 3 314.429 2.197 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@H](CNCC#N)[C@@H](C)C1 ZINC001185316150 796235155 /nfs/dbraw/zinc/23/51/55/796235155.db2.gz CHDUVZKVVXOVQJ-DLBZAZTESA-N 0 3 322.497 2.096 20 30 DEEDHN C#CCOc1ccc(CN2CCC(N3CC(F)C3)CC2)cc1 ZINC001138558080 796235426 /nfs/dbraw/zinc/23/54/26/796235426.db2.gz ZRPXCGILEJRHRE-UHFFFAOYSA-N 0 3 302.393 2.317 20 30 DEEDHN C=CCc1cccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c1O ZINC001138627928 796246333 /nfs/dbraw/zinc/24/63/33/796246333.db2.gz JYGMRLMHCSWMEL-MRXNPFEDSA-N 0 3 302.418 2.026 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001185430770 796255168 /nfs/dbraw/zinc/25/51/68/796255168.db2.gz ZDYVUQFVUWCUQP-KDOFPFPSSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H](NCc2ccccn2)C12CCC2 ZINC001202887717 796311415 /nfs/dbraw/zinc/31/14/15/796311415.db2.gz LXZOGRMAVNHGOD-IRXDYDNUSA-N 0 3 309.413 2.012 20 30 DEEDHN C=CCOc1ccccc1CN1CCC(=O)N2CCC[C@H]2C1 ZINC001139030314 796311436 /nfs/dbraw/zinc/31/14/36/796311436.db2.gz DZEOKLPUKTXCET-INIZCTEOSA-N 0 3 300.402 2.448 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3c(C)n[nH]c3C)C2)C1=O ZINC001139096990 796322970 /nfs/dbraw/zinc/32/29/70/796322970.db2.gz RPFKSMNSZFHCDN-QGZVFWFLSA-N 0 3 302.422 2.027 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC001185994269 796343359 /nfs/dbraw/zinc/34/33/59/796343359.db2.gz FJXMDSMEHWALID-AWEZNQCLSA-N 0 3 317.389 2.230 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202910017 796346845 /nfs/dbraw/zinc/34/68/45/796346845.db2.gz LLUAEFLQGXCVNF-HUUCEWRRSA-N 0 3 315.442 2.074 20 30 DEEDHN COc1ccc(OC)c(CN2CCC3SC(=O)C=C3C2)c1N ZINC001139274764 796352622 /nfs/dbraw/zinc/35/26/22/796352622.db2.gz TUEUVMPLXHKAND-CQSZACIVSA-N 0 3 320.414 2.060 20 30 DEEDHN C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)COC)C1 ZINC001186157784 796368828 /nfs/dbraw/zinc/36/88/28/796368828.db2.gz ZVNCCHIYLKKKEZ-NVXWUHKLSA-N 0 3 320.408 2.180 20 30 DEEDHN COc1cccc(CNC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001186180874 796370261 /nfs/dbraw/zinc/37/02/61/796370261.db2.gz LKQNTCKHJBEQGW-CQSZACIVSA-N 0 3 318.398 2.179 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C(CC)CC)no2)C1 ZINC001186170984 796373749 /nfs/dbraw/zinc/37/37/49/796373749.db2.gz KABHZCNMKSLFCS-CQSZACIVSA-N 0 3 303.406 2.406 20 30 DEEDHN N#Cc1cccc2c(CN3CCC[C@@H](n4cncn4)C3)c[nH]c21 ZINC001139706508 796413404 /nfs/dbraw/zinc/41/34/04/796413404.db2.gz WVYQMMSHBJSRHG-OAHLLOKOSA-N 0 3 306.373 2.468 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CSc1nc(C)cc(C)n1 ZINC001139865848 796438691 /nfs/dbraw/zinc/43/86/91/796438691.db2.gz UDIVQHUMBFMQOJ-UHFFFAOYSA-N 0 3 322.478 2.152 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@@H](n4ccnn4)C3)c2c1 ZINC001140117543 796479003 /nfs/dbraw/zinc/47/90/03/796479003.db2.gz TUBJSDDIFCOAAT-OAHLLOKOSA-N 0 3 306.373 2.468 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NC[C@H](F)CC)C2)CCOCC1 ZINC001187484893 796542706 /nfs/dbraw/zinc/54/27/06/796542706.db2.gz WQYIXFDVNHNWAR-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001187563421 796553367 /nfs/dbraw/zinc/55/33/67/796553367.db2.gz LGULKBVITPEMCY-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001187607953 796554919 /nfs/dbraw/zinc/55/49/19/796554919.db2.gz BLDPTWJQFWTJEB-SJLPKXTDSA-N 0 3 314.429 2.021 20 30 DEEDHN CCc1cc(C(=O)N2CC[C@@H](NCC#CCOC)C2)sc1C ZINC001187677601 796560509 /nfs/dbraw/zinc/56/05/09/796560509.db2.gz RSOSDRTXZVTVRF-OAHLLOKOSA-N 0 3 320.458 2.073 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2sc(CCC)nc2C)C1 ZINC001187804058 796579759 /nfs/dbraw/zinc/57/97/59/796579759.db2.gz IJOLXZJTGNQBAW-CYBMUJFWSA-N 0 3 305.447 2.231 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CC[C@H]2CN(C[C@H]3CCCCO3)C[C@H]21 ZINC001187857066 796590153 /nfs/dbraw/zinc/59/01/53/796590153.db2.gz HDUVJVOOCVKOEH-GVDBMIGSSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCOCCCCC(=O)N1CC[C@H]2CN(CC=C)C[C@H]21 ZINC001187911603 796597534 /nfs/dbraw/zinc/59/75/34/796597534.db2.gz HWYAKSFMVDFIQP-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001187954438 796607511 /nfs/dbraw/zinc/60/75/11/796607511.db2.gz WKDNSHPMBIPJNS-VHDGCEQUSA-N 0 3 318.367 2.282 20 30 DEEDHN Cc1ccncc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001141035191 796623299 /nfs/dbraw/zinc/62/32/99/796623299.db2.gz MSHBABXTABCVFG-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CCC[C@H](CC(C)C)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001188243770 796642727 /nfs/dbraw/zinc/64/27/27/796642727.db2.gz OZSSKZSZBFWOJR-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000838624045 796672002 /nfs/dbraw/zinc/67/20/02/796672002.db2.gz DHGXGQOOZJLGIP-UHFFFAOYSA-N 0 3 311.332 2.050 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001188466428 796674633 /nfs/dbraw/zinc/67/46/33/796674633.db2.gz BTLADJGVXFPYQY-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NCc3ccnn3C)C2)CCCC1 ZINC001188490639 796677459 /nfs/dbraw/zinc/67/74/59/796677459.db2.gz VBXIZEGQWNZIPP-OAHLLOKOSA-N 0 3 316.449 2.247 20 30 DEEDHN CSc1nc(CN2CCN3CCCC[C@@H]3C2)ccc1C#N ZINC001141938527 796699620 /nfs/dbraw/zinc/69/96/20/796699620.db2.gz DXBZIEVEXDSFSI-OAHLLOKOSA-N 0 3 302.447 2.345 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2ccsc2)C1 ZINC001188707899 796707997 /nfs/dbraw/zinc/70/79/97/796707997.db2.gz BNLNEFBZNWPJSN-HNNXBMFYSA-N 0 3 308.447 2.026 20 30 DEEDHN COCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189077207 796766501 /nfs/dbraw/zinc/76/65/01/796766501.db2.gz LXEFYQXSNMBETF-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(CO)cc2)C1 ZINC001189278893 796795159 /nfs/dbraw/zinc/79/51/59/796795159.db2.gz FLRLMLGKJATQQZ-QGZVFWFLSA-N 0 3 302.418 2.178 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)CCc2csc(C)n2)C1 ZINC001189280043 796795461 /nfs/dbraw/zinc/79/54/61/796795461.db2.gz PMDMVXQSWJKALQ-HNNXBMFYSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)CCc2ccccc2F)C1 ZINC001189380341 796815329 /nfs/dbraw/zinc/81/53/29/796815329.db2.gz PHODBDQIVVPEME-MRXNPFEDSA-N 0 3 320.408 2.104 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001149929880 796906335 /nfs/dbraw/zinc/90/63/35/796906335.db2.gz FZYFHQDSVJRRFJ-WBVHZDCISA-N 0 3 308.466 2.289 20 30 DEEDHN Cc1ncsc1CCN(C)[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190055116 796927817 /nfs/dbraw/zinc/92/78/17/796927817.db2.gz WLWHBWKBZQPPJV-HNNXBMFYSA-N 0 3 319.474 2.186 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](F)c2ccccc2)C1 ZINC001150371826 796938076 /nfs/dbraw/zinc/93/80/76/796938076.db2.gz MQXFMRJZDSOJNC-IAGOWNOFSA-N 0 3 320.408 2.480 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cccc(F)c2C)C1 ZINC001190270799 796973053 /nfs/dbraw/zinc/97/30/53/796973053.db2.gz UCSJFNGVOHHWTM-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC001190398549 796992066 /nfs/dbraw/zinc/99/20/66/796992066.db2.gz XHPGBMJYRNMARL-INIZCTEOSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2cc(C)on2)CC1 ZINC001150930174 796992847 /nfs/dbraw/zinc/99/28/47/796992847.db2.gz DPNUJWOTQJTUPS-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001190429143 797006312 /nfs/dbraw/zinc/00/63/12/797006312.db2.gz VEOXSFHMHYWTHN-OAHLLOKOSA-N 0 3 324.856 2.426 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001190526915 797019236 /nfs/dbraw/zinc/01/92/36/797019236.db2.gz DSFWFISKTPUQEH-ZIAGYGMSSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001151266624 797028096 /nfs/dbraw/zinc/02/80/96/797028096.db2.gz JUYLSARSWITQQF-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)CCOCC3CC3)C2)CCC1 ZINC001190603466 797039593 /nfs/dbraw/zinc/03/95/93/797039593.db2.gz CTLKNEZGVGPBIU-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001190819676 797085741 /nfs/dbraw/zinc/08/57/41/797085741.db2.gz ZUNNSVMVHIVGNS-JKSUJKDBSA-N 0 3 304.438 2.189 20 30 DEEDHN CCCCCCCC[C@@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001151847877 797106492 /nfs/dbraw/zinc/10/64/92/797106492.db2.gz BAQAEPITFVUKBS-OAHLLOKOSA-N 0 3 313.486 2.167 20 30 DEEDHN O=C(CC#Cc1ccccc1)NCCNCc1cccc(F)c1 ZINC001151952715 797123211 /nfs/dbraw/zinc/12/32/11/797123211.db2.gz DGBNHALAZAYKDB-UHFFFAOYSA-N 0 3 310.372 2.473 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCC(C)(F)F)C1 ZINC001190996214 797128706 /nfs/dbraw/zinc/12/87/06/797128706.db2.gz ASTACUYHYJFKSG-ZDUSSCGKSA-N 0 3 304.381 2.157 20 30 DEEDHN CN(CCN(C)C(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC001191546703 797225233 /nfs/dbraw/zinc/22/52/33/797225233.db2.gz ALNFALCJAUVVBG-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H](CC)c2ccccc2)C[C@H]1O ZINC001191646227 797240491 /nfs/dbraw/zinc/24/04/91/797240491.db2.gz YCKIIVPXNYSNBC-BRWVUGGUSA-N 0 3 302.418 2.265 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001191891386 797282448 /nfs/dbraw/zinc/28/24/48/797282448.db2.gz YRKCOFZZRJDGSB-JKSUJKDBSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001191891385 797282755 /nfs/dbraw/zinc/28/27/55/797282755.db2.gz YRKCOFZZRJDGSB-HZPDHXFCSA-N 0 3 304.438 2.018 20 30 DEEDHN CCN(Cc1ccc(C)nc1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233017 797304413 /nfs/dbraw/zinc/30/44/13/797304413.db2.gz SUBCHKNGLQNLRT-OAHLLOKOSA-N 0 3 313.445 2.438 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001153642246 797368727 /nfs/dbraw/zinc/36/87/27/797368727.db2.gz SBNXTHCETDGNKJ-GFCCVEGCSA-N 0 3 312.364 2.050 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)c(Cl)n1C ZINC001153728725 797383007 /nfs/dbraw/zinc/38/30/07/797383007.db2.gz UQTKGZFDEMXKJU-SNVBAGLBSA-N 0 3 316.232 2.405 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)/C=C\c1ccco1 ZINC001154221166 797489307 /nfs/dbraw/zinc/48/93/07/797489307.db2.gz AYAHRJGELGCYKF-HJWRWDBZSA-N 0 3 309.369 2.461 20 30 DEEDHN CC(C)(C)OC(=O)N1CCN2C[C@H](OCCCC#N)C[C@H]2C1 ZINC001205620745 797494241 /nfs/dbraw/zinc/49/42/41/797494241.db2.gz FUXJFXSUCSOYFI-UONOGXRCSA-N 0 3 309.410 2.000 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cnoc2C(C)C)C1 ZINC001193218547 797524101 /nfs/dbraw/zinc/52/41/01/797524101.db2.gz MLUPWYMQPIFYMY-AWEZNQCLSA-N 0 3 321.421 2.147 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CC/C=C\CCC)C[C@H]2O)CCC1 ZINC001193684829 797609844 /nfs/dbraw/zinc/60/98/44/797609844.db2.gz CZGMPNJGKKPRSP-TZNMXKOXSA-N 0 3 318.461 2.088 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001193788200 797621093 /nfs/dbraw/zinc/62/10/93/797621093.db2.gz XZDZURAOLCIEAE-AEFFLSMTSA-N 0 3 316.445 2.353 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(c2cccnc2)CCCC1 ZINC001154876685 797631774 /nfs/dbraw/zinc/63/17/74/797631774.db2.gz UUTGKBIUJRAIMZ-MRXNPFEDSA-N 0 3 313.445 2.353 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001194015306 797662519 /nfs/dbraw/zinc/66/25/19/797662519.db2.gz HQLNFXYXSIKYPO-HZPDHXFCSA-N 0 3 324.371 2.014 20 30 DEEDHN COc1ccc(OC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001194507954 797738072 /nfs/dbraw/zinc/73/80/72/797738072.db2.gz MKGIXGNUXULMRQ-CYBMUJFWSA-N 0 3 305.355 2.468 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001194555174 797744368 /nfs/dbraw/zinc/74/43/68/797744368.db2.gz JTCONBBKONHLRH-SECBINFHSA-N 0 3 300.271 2.293 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cnccn2)CC1 ZINC001194681726 797762996 /nfs/dbraw/zinc/76/29/96/797762996.db2.gz HSCAYRQUCQWHER-UHFFFAOYSA-N 0 3 302.422 2.371 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001155718674 797834430 /nfs/dbraw/zinc/83/44/30/797834430.db2.gz PFRFQIPNHDSCGD-FHLIZLRMSA-N 0 3 314.429 2.259 20 30 DEEDHN N#Cc1cc(F)c(Cl)nc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155824514 797856707 /nfs/dbraw/zinc/85/67/07/797856707.db2.gz TVUGECYAQHZXGK-SWLSCSKDSA-N 0 3 324.787 2.459 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)nc1OCC ZINC001156110816 797926803 /nfs/dbraw/zinc/92/68/03/797926803.db2.gz OWASRISAWUDTSZ-OAHLLOKOSA-N 0 3 317.433 2.252 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnoc1-c1ccccc1 ZINC001156125290 797929836 /nfs/dbraw/zinc/92/98/36/797929836.db2.gz BCPJTPRCGYYYKE-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C#CCCCC(=O)N1CCCN(C[C@@H]2CC(C)(C)CO2)CC1 ZINC001195674556 797936777 /nfs/dbraw/zinc/93/67/77/797936777.db2.gz GWZGGQZBLCOXBF-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC(C)C#CC(=O)N1CCCN(CC[C@@H]2CCCCO2)CC1 ZINC001195775373 797960855 /nfs/dbraw/zinc/96/08/55/797960855.db2.gz YKEFEFAUJXTXIY-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCCNCc2ccc(F)cc2F)c1 ZINC001156282084 797964647 /nfs/dbraw/zinc/96/46/47/797964647.db2.gz LYZLVKBCUIYXFD-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(F)F)C1 ZINC001196227461 798024283 /nfs/dbraw/zinc/02/42/83/798024283.db2.gz CGLMMKQEXZCGJF-BFHYXJOUSA-N 0 3 320.424 2.409 20 30 DEEDHN CC[C@H](SC)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156634089 798047632 /nfs/dbraw/zinc/04/76/32/798047632.db2.gz KETMISABTZENEA-HNNXBMFYSA-N 0 3 323.437 2.435 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(CC(C)C)c1C ZINC001156642173 798050655 /nfs/dbraw/zinc/05/06/55/798050655.db2.gz UREIOKCYTDHFLR-OAHLLOKOSA-N 0 3 318.465 2.311 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(C)COc2ccccc2O1 ZINC001156672150 798059043 /nfs/dbraw/zinc/05/90/43/798059043.db2.gz IBSCFNXPGNCOKO-GOSISDBHSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1nnc(C(C)(C)C)s1 ZINC001156672863 798059547 /nfs/dbraw/zinc/05/95/47/798059547.db2.gz ZPFCRXNUEOBTLB-UHFFFAOYSA-N 0 3 310.467 2.416 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COCc1ccc(C)cc1 ZINC001156672543 798059645 /nfs/dbraw/zinc/05/96/45/798059645.db2.gz SKZDDBFBOUNZFP-UHFFFAOYSA-N 0 3 304.434 2.478 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1cccc(OCC)n1 ZINC001156812568 798086328 /nfs/dbraw/zinc/08/63/28/798086328.db2.gz WOEGNAHKKHROPP-UHFFFAOYSA-N 0 3 317.433 2.270 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001196667949 798089430 /nfs/dbraw/zinc/08/94/30/798089430.db2.gz URTZNPOLBAVDIK-CGTJXYLNSA-N 0 3 316.445 2.226 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)Cc1ccc[nH]1 ZINC001157030672 798129340 /nfs/dbraw/zinc/12/93/40/798129340.db2.gz HLNAYYIRBKVITQ-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@@H](C)OC)c1ccccc1OC ZINC001198576191 798357682 /nfs/dbraw/zinc/35/76/82/798357682.db2.gz AMZQFVUNGWILCP-HIFRSBDPSA-N 0 3 306.406 2.053 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001158300557 798378743 /nfs/dbraw/zinc/37/87/43/798378743.db2.gz DMWKKXLPTQMROZ-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1-n1nncc1CN ZINC001158427630 798405766 /nfs/dbraw/zinc/40/57/66/798405766.db2.gz YAMONONUQPFOBL-UHFFFAOYSA-N 0 3 319.155 2.453 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC(NCc2ocnc2C)CC1 ZINC001199666814 798516651 /nfs/dbraw/zinc/51/66/51/798516651.db2.gz BZPQAHQVCCDYQG-AWEZNQCLSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCCNCc1oc(C)nc1C)OCC ZINC001159148623 798529097 /nfs/dbraw/zinc/52/90/97/798529097.db2.gz IFCZGRXOGUMTFO-OAHLLOKOSA-N 0 3 323.437 2.259 20 30 DEEDHN CCOC(=O)C1=C(Nc2nccc3ccc(C#N)cc32)CCNC1 ZINC001159452369 798565926 /nfs/dbraw/zinc/56/59/26/798565926.db2.gz GCPKDHHWOSNWIG-UHFFFAOYSA-N 0 3 322.368 2.329 20 30 DEEDHN C[C@@H](Nc1nc(Cl)c(Cl)cc1C#N)[C@@H]1CNCCO1 ZINC001159496310 798572675 /nfs/dbraw/zinc/57/26/75/798572675.db2.gz JJNVYDZWEAZKBA-XCBNKYQSSA-N 0 3 301.177 2.049 20 30 DEEDHN C#CCCCC(=O)N1CCC(N[C@@H](C)c2cnc(C)cn2)CC1 ZINC001200324532 798614976 /nfs/dbraw/zinc/61/49/76/798614976.db2.gz AYCVNDQBGGLPQJ-HNNXBMFYSA-N 0 3 314.433 2.230 20 30 DEEDHN C[C@@H](NC1CCN(C(=O)C#CC(C)(C)C)CC1)c1cnccn1 ZINC001200472133 798644168 /nfs/dbraw/zinc/64/41/68/798644168.db2.gz NFMSOPWUBHAYGD-CQSZACIVSA-N 0 3 314.433 2.168 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCc3c[nH]nc32)CC1 ZINC001160142290 798654178 /nfs/dbraw/zinc/65/41/78/798654178.db2.gz DUHDWLMYGGQKKG-MRXNPFEDSA-N 0 3 314.433 2.154 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(OC)ns2)CC1 ZINC001160156726 798656178 /nfs/dbraw/zinc/65/61/78/798656178.db2.gz YEYKWDFUYZRPCR-UHFFFAOYSA-N 0 3 307.419 2.090 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccn(C(F)F)n2)CC1 ZINC001160242430 798665411 /nfs/dbraw/zinc/66/54/11/798665411.db2.gz QTCHRYXVLLWSSC-UHFFFAOYSA-N 0 3 310.348 2.216 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc(C)nc(C)c2)CC1 ZINC001160257736 798667913 /nfs/dbraw/zinc/66/79/13/798667913.db2.gz BIMDYZVAQFQSMK-UHFFFAOYSA-N 0 3 311.429 2.474 20 30 DEEDHN C#CCC1(C(=O)NCCC2=CCN(CC=C)CC2)CCOCC1 ZINC001160331295 798676749 /nfs/dbraw/zinc/67/67/49/798676749.db2.gz YHUUOEGRDXXPAI-UHFFFAOYSA-N 0 3 316.445 2.131 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001200823393 798683148 /nfs/dbraw/zinc/68/31/48/798683148.db2.gz HGEQUHZHIAWGEO-UHFFFAOYSA-N 0 3 302.422 2.222 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC001200823561 798683349 /nfs/dbraw/zinc/68/33/49/798683349.db2.gz PDVGHMWZGKWYGA-UHFFFAOYSA-N 0 3 307.394 2.120 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N[C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001200823638 798684051 /nfs/dbraw/zinc/68/40/51/798684051.db2.gz SHBRAUFKKJFBAD-CYBMUJFWSA-N 0 3 319.453 2.365 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001160546050 798703658 /nfs/dbraw/zinc/70/36/58/798703658.db2.gz SCIYQCREXNTKAK-DOTOQJQBSA-N 0 3 306.450 2.209 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)C2(C3CC3)CC2)c1 ZINC001160550527 798703738 /nfs/dbraw/zinc/70/37/38/798703738.db2.gz FGTMEZSFMCSPBP-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(C)cc2Cl)CCCO1 ZINC001201461644 798755480 /nfs/dbraw/zinc/75/54/80/798755480.db2.gz XMZXGSIHZGHBNF-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)c(F)c2c1C(=O)NC2 ZINC001160953653 798770470 /nfs/dbraw/zinc/77/04/70/798770470.db2.gz GHBVZWCBYGEACG-VIFPVBQESA-N 0 3 324.787 2.180 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2cccc(C(C)C)c2)CCCO1 ZINC001201785097 798801011 /nfs/dbraw/zinc/80/10/11/798801011.db2.gz WEYQMFKYDPXMDD-GOSISDBHSA-N 0 3 314.429 2.264 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)CCCO1 ZINC001201864354 798802608 /nfs/dbraw/zinc/80/26/08/798802608.db2.gz WBJXDOGCHHURFE-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN O=C([C@@H]1C[C@@H](F)CCN1)N1CCC(C#Cc2ccccc2)CC1 ZINC001161151278 798802798 /nfs/dbraw/zinc/80/27/98/798802798.db2.gz VBFGUSSXAWUPGV-ROUUACIJSA-N 0 3 314.404 2.367 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC001161182492 798806488 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20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCC(C)(C)C)C1 ZINC001210254748 801359415 /nfs/dbraw/zinc/35/94/15/801359415.db2.gz PRXDTUNEFKQFNI-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(CC#Cc1ccccc1)N[C@@H]1CCCC[C@H]1NCCF ZINC001230229048 801372625 /nfs/dbraw/zinc/37/26/25/801372625.db2.gz LDGMMANSLXDBBG-IAGOWNOFSA-N 0 3 302.393 2.415 20 30 DEEDHN C=C(C)CN(CCCNC(=O)c1ccn[nH]1)Cc1cccnc1 ZINC001230692761 801463690 /nfs/dbraw/zinc/46/36/90/801463690.db2.gz PAMMQMXHOLEQCM-UHFFFAOYSA-N 0 3 313.405 2.003 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001210808746 801466776 /nfs/dbraw/zinc/46/67/76/801466776.db2.gz URGSQTFCUHZAMV-RHSMWYFYSA-N 0 3 320.408 2.007 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001211223839 801533418 /nfs/dbraw/zinc/53/34/18/801533418.db2.gz FNDUOSIASGJWKZ-IIDMSEBBSA-N 0 3 316.445 2.496 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCF)[C@H](OC)C1 ZINC001213280385 801589330 /nfs/dbraw/zinc/58/93/30/801589330.db2.gz KSGMGUJXXHKCDH-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@H](OC)C1 ZINC001213374371 801600932 /nfs/dbraw/zinc/60/09/32/801600932.db2.gz DGKBSNWIWXLTCP-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)Cc2cccs2)[C@H](OC)C1 ZINC001213502293 801616724 /nfs/dbraw/zinc/61/67/24/801616724.db2.gz ADGVAQMCCNQVFF-FVQBIDKESA-N 0 3 322.474 2.318 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)Cc2ccco2)[C@H](OC)C1 ZINC001213569264 801622825 /nfs/dbraw/zinc/62/28/25/801622825.db2.gz FLFAYVNPIWGTRG-DJIMGWMZSA-N 0 3 320.433 2.240 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001214521080 801723838 /nfs/dbraw/zinc/72/38/38/801723838.db2.gz WODRGTUCCMEKLC-QBIMZIAESA-N 0 3 320.408 2.089 20 30 DEEDHN CC(C)(O)CN1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232116084 801796976 /nfs/dbraw/zinc/79/69/76/801796976.db2.gz JZNWEPKOGWCWEQ-UHFFFAOYSA-N 0 3 307.825 2.100 20 30 DEEDHN CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001215323102 801834473 /nfs/dbraw/zinc/83/44/73/801834473.db2.gz VCITWICFLMOEAD-KBRIMQKVSA-N 0 3 320.383 2.362 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001215327338 801836323 /nfs/dbraw/zinc/83/63/23/801836323.db2.gz XAXJGQCDYXMILF-IHETXDGRSA-N 0 3 314.404 2.270 20 30 DEEDHN CC(C)(O)c1ccc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001232824829 801965058 /nfs/dbraw/zinc/96/50/58/801965058.db2.gz JOCBRIDJNTYOGC-ZDUSSCGKSA-N 0 3 304.415 2.083 20 30 DEEDHN COC(=O)CCN(C)Cc1ccc(Br)c(C#N)c1 ZINC001232897082 801979463 /nfs/dbraw/zinc/97/94/63/801979463.db2.gz FAEAATNDFKWUAG-UHFFFAOYSA-N 0 3 311.179 2.316 20 30 DEEDHN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(N(C)C)c(C#N)c1F ZINC001233103283 802027506 /nfs/dbraw/zinc/02/75/06/802027506.db2.gz DBBCOZWLFQVRIO-KBPBESRZSA-N 0 3 302.397 2.042 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)/C=C/C(C)(C)C)[C@H]2C1 ZINC001217573622 802086152 /nfs/dbraw/zinc/08/61/52/802086152.db2.gz VKSRSFMJQHAPMD-OFTJQPPSSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CC[C@@H](C)F ZINC001233491371 802132916 /nfs/dbraw/zinc/13/29/16/802132916.db2.gz XHHYUQZTAFLEEI-HUUCEWRRSA-N 0 3 300.418 2.250 20 30 DEEDHN CSCCC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001233672081 802179927 /nfs/dbraw/zinc/17/99/27/802179927.db2.gz UETTVWKARSCSMX-UHFFFAOYSA-N 0 3 323.437 2.389 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H](CCC)OCC)[C@H]2C1 ZINC001218496999 802192158 /nfs/dbraw/zinc/19/21/58/802192158.db2.gz DEDTZIPFABBSKH-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cncnc1 ZINC001233819671 802215648 /nfs/dbraw/zinc/21/56/48/802215648.db2.gz OHPJWSSFRCPWQI-INIZCTEOSA-N 0 3 302.422 2.369 20 30 DEEDHN N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@@H](N)CC1CCC1 ZINC001218717549 802231557 /nfs/dbraw/zinc/23/15/57/802231557.db2.gz DVAXYHNBFQQDBY-HNNXBMFYSA-N 0 3 321.384 2.471 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001233979284 802259096 /nfs/dbraw/zinc/25/90/96/802259096.db2.gz YZMGLIIEHBHIHR-FUHWJXTLSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001233991327 802259534 /nfs/dbraw/zinc/25/95/34/802259534.db2.gz PMCFDUDSXTZGRD-CABCVRRESA-N 0 3 302.422 2.286 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1ccnn1C ZINC001234021406 802270828 /nfs/dbraw/zinc/27/08/28/802270828.db2.gz NOHCRTSMLSUHEM-KRWDZBQOSA-N 0 3 320.481 2.466 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccccc2F)[C@@H](O)C1 ZINC001219103270 802282046 /nfs/dbraw/zinc/28/20/46/802282046.db2.gz XDJFDXIOCFEQJQ-SJORKVTESA-N 0 3 320.408 2.347 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CCc2ccco2)[C@@H](O)C1 ZINC001219184212 802293067 /nfs/dbraw/zinc/29/30/67/802293067.db2.gz OLILPNYBXSCXIN-SJORKVTESA-N 0 3 322.449 2.344 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccc(C)nc2)[C@@H](O)C1 ZINC001219187950 802295417 /nfs/dbraw/zinc/29/54/17/802295417.db2.gz PJXCZHZAKXTGIT-SJORKVTESA-N 0 3 319.449 2.135 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1ccn(C)n1 ZINC001234223684 802329152 /nfs/dbraw/zinc/32/91/52/802329152.db2.gz BEKCEABWRZBAMQ-QGZVFWFLSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@H](C)SC)[C@@H](O)C1 ZINC001219484143 802336930 /nfs/dbraw/zinc/33/69/30/802336930.db2.gz JVFNNFAVZJFUKO-ZNMIVQPWSA-N 0 3 314.495 2.036 20 30 DEEDHN CCO[C@H](C)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001234312265 802350684 /nfs/dbraw/zinc/35/06/84/802350684.db2.gz SYFWTBIXEMJSBP-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCC(C)C)C[C@@H]1O ZINC001219689949 802366680 /nfs/dbraw/zinc/36/66/80/802366680.db2.gz QLFZOKHXIMNIPY-SJORKVTESA-N 0 3 308.466 2.352 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001234391580 802367358 /nfs/dbraw/zinc/36/73/58/802367358.db2.gz AHYVWUYBPGSNMG-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@@H]1O ZINC001220247604 802432127 /nfs/dbraw/zinc/43/21/27/802432127.db2.gz KOXYPSYLNAHOIT-SQNIBIBYSA-N 0 3 314.429 2.192 20 30 DEEDHN C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CCN1CCCF)OCC ZINC001234640601 802438493 /nfs/dbraw/zinc/43/84/93/802438493.db2.gz AKHCDDSGLSLOAF-GJZGRUSLSA-N 0 3 300.418 2.250 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(CC(C)C)CC(C)C)[C@@H](O)C1 ZINC001221116895 802530036 /nfs/dbraw/zinc/53/00/36/802530036.db2.gz YQASSZZALGPDEJ-SJORKVTESA-N 0 3 310.482 2.432 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CCCCC2(C)C)[C@@H](O)C1 ZINC001221124662 802530416 /nfs/dbraw/zinc/53/04/16/802530416.db2.gz SCKXSOOSHIEWKF-OAGGEKHMSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001221173868 802534247 /nfs/dbraw/zinc/53/42/47/802534247.db2.gz BVKSZIYGQWKSQL-IMJJTQAJSA-N 0 3 320.408 2.264 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001221436113 802573060 /nfs/dbraw/zinc/57/30/60/802573060.db2.gz LBWSRPCZSJZFTD-BRWVUGGUSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001221466579 802578629 /nfs/dbraw/zinc/57/86/29/802578629.db2.gz QMMFWWZSCWDAAC-HUUCEWRRSA-N 0 3 320.477 2.404 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001221760560 802611950 /nfs/dbraw/zinc/61/19/50/802611950.db2.gz JIDJPUYVNGWXAF-BRWVUGGUSA-N 0 3 306.450 2.324 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(CCC[C@@H](C)O)C[C@H]32)CC1 ZINC001221790048 802615397 /nfs/dbraw/zinc/61/53/97/802615397.db2.gz DAAQUSABMXUJFN-KBAYOESNSA-N 0 3 320.477 2.427 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](OC)C(F)(F)F)[C@@H]2C1 ZINC001221924999 802626869 /nfs/dbraw/zinc/62/68/69/802626869.db2.gz YIFSKKXASNWZPG-JHJVBQTASA-N 0 3 320.355 2.063 20 30 DEEDHN N#Cc1cccc(CN2CCC(CNC(=O)C#CC3CC3)CC2)c1 ZINC001223134694 802768801 /nfs/dbraw/zinc/76/88/01/802768801.db2.gz PXQNZOJNBOHROZ-UHFFFAOYSA-N 0 3 321.424 2.300 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COC2CCCCC2)CC1 ZINC001223713319 802810297 /nfs/dbraw/zinc/81/02/97/802810297.db2.gz VCSCGSMFJBFLSP-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001223799599 802816415 /nfs/dbraw/zinc/81/64/15/802816415.db2.gz CDCKBLAUZOEHBQ-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001223957483 802825753 /nfs/dbraw/zinc/82/57/53/802825753.db2.gz AMERJYKDHJLHOK-GOSISDBHSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001223958649 802826058 /nfs/dbraw/zinc/82/60/58/802826058.db2.gz OVWYBXPBQOZQGH-QGZVFWFLSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](c2ccncc2)C(C)C)CC1 ZINC001224240757 802850052 /nfs/dbraw/zinc/85/00/52/802850052.db2.gz FURUKGQHDUWSKZ-GOSISDBHSA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC001224711625 802896752 /nfs/dbraw/zinc/89/67/52/802896752.db2.gz CJHAGUIDQOBAEU-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC001224712800 802896779 /nfs/dbraw/zinc/89/67/79/802896779.db2.gz MTQOCYWIXPTQEM-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@@H]2CCCCO2)CC1 ZINC001224713752 802897195 /nfs/dbraw/zinc/89/71/95/802897195.db2.gz WEJWQDFDHMXENA-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(CC#N)cc3)C[C@H]1N2C ZINC001225264646 802948843 /nfs/dbraw/zinc/94/88/43/802948843.db2.gz BGDYESALXSZFHJ-DZJNRPSUSA-N 0 3 314.385 2.298 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2cccc(Cl)c2)CC1 ZINC001225371792 802959241 /nfs/dbraw/zinc/95/92/41/802959241.db2.gz BPXSZMYFBAMCCZ-UHFFFAOYSA-N 0 3 320.820 2.180 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC001225515431 802976247 /nfs/dbraw/zinc/97/62/47/802976247.db2.gz IFXHSGPOUSXOSO-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)OCCC(C)C)CC1 ZINC001225638355 802994802 /nfs/dbraw/zinc/99/48/02/802994802.db2.gz DTXOYFVESQGJDL-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@](C)(O)C1CC1 ZINC001225725611 803005815 /nfs/dbraw/zinc/00/58/15/803005815.db2.gz QPAAIHDEPMZVGB-FMKPAKJESA-N 0 3 314.857 2.307 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226095642 803053298 /nfs/dbraw/zinc/05/32/98/803053298.db2.gz OSDBQVBNJUTLKF-HUUCEWRRSA-N 0 3 305.447 2.320 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)CC ZINC001226533476 803120901 /nfs/dbraw/zinc/12/09/01/803120901.db2.gz ZPCKEYDSGQKCQZ-BZUAXINKSA-N 0 3 323.481 2.274 20 30 DEEDHN Cc1cc(F)ccc1CN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226640056 803135637 /nfs/dbraw/zinc/13/56/37/803135637.db2.gz KNHHCZMSEXKXSN-ZDUSSCGKSA-N 0 3 303.381 2.374 20 30 DEEDHN C=CCCCC(=O)NC1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC001228912982 803430145 /nfs/dbraw/zinc/43/01/45/803430145.db2.gz WQCZUMQZTMYZML-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2cccc(C)c2)CC1 ZINC001228918986 803431721 /nfs/dbraw/zinc/43/17/21/803431721.db2.gz FRHKSPYECIIODI-UHFFFAOYSA-N 0 3 316.445 2.321 20 30 DEEDHN Cc1nc(C)c(CN(C)C2CCN(C(=O)C#CC(C)C)CC2)o1 ZINC001331017138 1149360820 /nfs/dbraw/zinc/36/08/20/1149360820.db2.gz VDQSTGNHWWKDGP-UHFFFAOYSA-N 0 3 317.433 2.374 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001418573289 1167820883 /nfs/dbraw/zinc/82/08/83/1167820883.db2.gz CMUVYHCRZOCLLP-LLVKDONJSA-N 0 3 324.856 2.339 20 30 DEEDHN C=CCN(CCOC)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001334871519 1150349735 /nfs/dbraw/zinc/34/97/35/1150349735.db2.gz UEAGUXHRSRAURH-HNNXBMFYSA-N 0 3 304.390 2.042 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C(C)(C)C1 ZINC001328098867 1148721431 /nfs/dbraw/zinc/72/14/31/1148721431.db2.gz QWLKAFOYKLRJCD-HOCLYGCPSA-N 0 3 318.465 2.001 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(OC)c(OC)cc1C ZINC001331645609 1149574255 /nfs/dbraw/zinc/57/42/55/1149574255.db2.gz YITISKWGANTVOL-AWEZNQCLSA-N 0 3 318.417 2.086 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)Cc1ccco1 ZINC001368873495 1148737984 /nfs/dbraw/zinc/73/79/84/1148737984.db2.gz HNABIZWLHVUQOO-VXGBXAGGSA-N 0 3 317.414 2.438 20 30 DEEDHN C#Cc1cccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)c1 ZINC001588522115 983569346 /nfs/dbraw/zinc/56/93/46/983569346.db2.gz CJLGBBGTOXKAIX-UHFFFAOYSA-N 0 3 300.402 2.087 20 30 DEEDHN N#C[C@@H]1CC[C@H](OC(=O)C2CCN(Cc3ccccc3)C2=O)C1 ZINC001345098562 1150864804 /nfs/dbraw/zinc/86/48/04/1150864804.db2.gz SEZDYXOVTCZVGQ-PMPSAXMXSA-N 0 3 312.369 2.271 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001345443608 1150890313 /nfs/dbraw/zinc/89/03/13/1150890313.db2.gz IAHOICRNZXHGHD-HRCADAONSA-N 0 3 312.454 2.081 20 30 DEEDHN CCCOCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001331861030 1149735970 /nfs/dbraw/zinc/73/59/70/1149735970.db2.gz RHBAZJNQRLHQFW-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cc(-c3ccccc3)no2)C1 ZINC001370449861 1149739703 /nfs/dbraw/zinc/73/97/03/1149739703.db2.gz WRWMEFLZPTUJIT-BPLDGKMQSA-N 0 3 324.384 2.238 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)OCCCC)CCO2 ZINC001328480932 1148801548 /nfs/dbraw/zinc/80/15/48/1148801548.db2.gz VPECDZBKNBNMBB-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C[C@H](CNC(=O)Cc1cccnc1)N(C)Cc1cccc(C#N)c1 ZINC001368947240 1148802222 /nfs/dbraw/zinc/80/22/22/1148802222.db2.gz SBRCFWVOXMTUJZ-OAHLLOKOSA-N 0 3 322.412 2.132 20 30 DEEDHN C=CCC1(O)CC[NH+]([C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602818631 1069765098 /nfs/dbraw/zinc/76/50/98/1069765098.db2.gz SVZNJTLPSAGVQN-ZDUSSCGKSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC1(O)CC[NH+]([C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602818631 1069765114 /nfs/dbraw/zinc/76/51/14/1069765114.db2.gz SVZNJTLPSAGVQN-ZDUSSCGKSA-N 0 3 313.405 2.331 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001328555281 1148809547 /nfs/dbraw/zinc/80/95/47/1148809547.db2.gz VGRUGNLQDOYDMT-MRXNPFEDSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCCC(=O)NCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001350997089 1151446475 /nfs/dbraw/zinc/44/64/75/1151446475.db2.gz XYDPRESELNVIQC-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001526575083 1070311249 /nfs/dbraw/zinc/31/12/49/1070311249.db2.gz NWLKTTVNFFPEHZ-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001527554446 1070506449 /nfs/dbraw/zinc/50/64/49/1070506449.db2.gz ATTVGKHDYWAOIG-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)n[nH]2)CCCCC1 ZINC001369039573 1148832177 /nfs/dbraw/zinc/83/21/77/1148832177.db2.gz MJIAHCIEKGIPII-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001368558431 1148495286 /nfs/dbraw/zinc/49/52/86/1148495286.db2.gz LJFRCDRZUKZKEG-IHRRRGAJSA-N 0 3 302.846 2.284 20 30 DEEDHN CC[C@@H]1CN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C[C@H](C)N1 ZINC001454064086 1057429706 /nfs/dbraw/zinc/42/97/06/1057429706.db2.gz OTYNATGHIHPYHO-KTMLPXRHSA-N 0 3 300.402 2.333 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499874199 1058341070 /nfs/dbraw/zinc/34/10/70/1058341070.db2.gz IFMSSPYVVKSZTK-WBVHZDCISA-N 0 3 316.470 2.370 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001499882506 1058341925 /nfs/dbraw/zinc/34/19/25/1058341925.db2.gz MRQGGGWLTVLPME-CQSZACIVSA-N 0 3 323.824 2.018 20 30 DEEDHN C#CCN(C(=O)CCc1ccncc1)C1CCN(CC=C)CC1 ZINC001500042183 1058447144 /nfs/dbraw/zinc/44/71/44/1058447144.db2.gz OLFYNYLNGKVLFP-UHFFFAOYSA-N 0 3 311.429 2.126 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)CCC(C)(F)F)C1 ZINC001500232386 1058623177 /nfs/dbraw/zinc/62/31/77/1058623177.db2.gz BGQAULTWKKCDJW-AWEZNQCLSA-N 0 3 304.381 2.205 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnn(C)c1)c1ccccc1CC ZINC001501018803 1059204427 /nfs/dbraw/zinc/20/44/27/1059204427.db2.gz GUZZYMXHZIMEQY-KRWDZBQOSA-N 0 3 312.417 2.229 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)NCc2cnns2)C1 ZINC001501050706 1059233901 /nfs/dbraw/zinc/23/39/01/1059233901.db2.gz MUTXITOEAYWEFP-CHWSQXEVSA-N 0 3 322.478 2.467 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(CO)CCCN(CC[C@H](C)F)C1 ZINC001501327929 1059448914 /nfs/dbraw/zinc/44/89/14/1059448914.db2.gz VYJOUYYTXJDOTN-WMLDXEAASA-N 0 3 314.445 2.280 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001501350254 1059463829 /nfs/dbraw/zinc/46/38/29/1059463829.db2.gz UETVQNQDRYEMBA-LPHOPBHVSA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001467728530 1059695136 /nfs/dbraw/zinc/69/51/36/1059695136.db2.gz KJONVVKLQMPXCB-INIZCTEOSA-N 0 3 324.852 2.382 20 30 DEEDHN C=CCC(C)(C)C(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001501853891 1059742282 /nfs/dbraw/zinc/74/22/82/1059742282.db2.gz HXHRMSCQWUNXQL-UHFFFAOYSA-N 0 3 316.445 2.256 20 30 DEEDHN C=CCCCC(=O)NCC1(NCc2cnc(C)nc2)CCC1 ZINC001501994447 1059847433 /nfs/dbraw/zinc/84/74/33/1059847433.db2.gz CPQBTHGEIHOFPS-UHFFFAOYSA-N 0 3 302.422 2.270 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N2CCN(CC(C)C)CC2)C1 ZINC001502101386 1059933208 /nfs/dbraw/zinc/93/32/08/1059933208.db2.gz AISMRACNEOEXBI-QZTJIDSGSA-N 0 3 321.509 2.463 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502113875 1059949043 /nfs/dbraw/zinc/94/90/43/1059949043.db2.gz UEQHVNDUCXWAKK-PBHICJAKSA-N 0 3 310.401 2.189 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2cn(C)nc2C)CC1 ZINC001502121790 1059957059 /nfs/dbraw/zinc/95/70/59/1059957059.db2.gz SMFGTWGRFFHOKA-KRWDZBQOSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)CC1 ZINC001502127709 1059972133 /nfs/dbraw/zinc/97/21/33/1059972133.db2.gz SJAHHJQZJQDDGM-XJKSGUPXSA-N 0 3 317.433 2.389 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001534122301 1071932123 /nfs/dbraw/zinc/93/21/23/1071932123.db2.gz POSSMSRYRBLMLG-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CCOc2ccccc2)CC1 ZINC001502148026 1059998156 /nfs/dbraw/zinc/99/81/56/1059998156.db2.gz VJTYVQHZIACMTQ-QGZVFWFLSA-N 0 3 314.429 2.450 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](CCC)c1ccccn1 ZINC001502367828 1060078799 /nfs/dbraw/zinc/07/87/99/1060078799.db2.gz SUYAUWXVIJBUDQ-MRXNPFEDSA-N 0 3 301.434 2.379 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001505445560 1060609039 /nfs/dbraw/zinc/60/90/39/1060609039.db2.gz XUFSUZQPJOCREK-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001505506590 1060664582 /nfs/dbraw/zinc/66/45/82/1060664582.db2.gz COIRZMDWHMVQSA-LDZOIKDWSA-N 0 3 320.820 2.227 20 30 DEEDHN CCc1n[nH]cc1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329072393 1148862611 /nfs/dbraw/zinc/86/26/11/1148862611.db2.gz BSQICTRGGJMGTN-LSDHHAIUSA-N 0 3 324.428 2.120 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCCOC1 ZINC001505801622 1060979243 /nfs/dbraw/zinc/97/92/43/1060979243.db2.gz NXIDCZANKRZJII-ZDUSSCGKSA-N 0 3 302.846 2.240 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)Cc1cccc(C#N)c1 ZINC001505911753 1061123372 /nfs/dbraw/zinc/12/33/72/1061123372.db2.gz CVIGCJMGXDYJGD-UGFHNGPFSA-N 0 3 321.371 2.396 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccncc1-c1ccccc1 ZINC001477038460 1061135022 /nfs/dbraw/zinc/13/50/22/1061135022.db2.gz SBMYYAVFKBGKCC-UHFFFAOYSA-N 0 3 322.412 2.247 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@@H]1CCCCC1(F)F ZINC001505968947 1061188744 /nfs/dbraw/zinc/18/87/44/1061188744.db2.gz GNUDJZHJSPIKMU-KGLIPLIRSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001479224802 1061296112 /nfs/dbraw/zinc/29/61/12/1061296112.db2.gz KMHVFWIOVWSJHZ-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC001479252308 1061327282 /nfs/dbraw/zinc/32/72/82/1061327282.db2.gz CNAPRPXEDDWRFY-WBVHZDCISA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001479391349 1061433905 /nfs/dbraw/zinc/43/39/05/1061433905.db2.gz GULRWEPGSUFBRJ-MRVWCRGKSA-N 0 3 305.426 2.015 20 30 DEEDHN Cc1nocc1C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001479393522 1061436371 /nfs/dbraw/zinc/43/63/71/1061436371.db2.gz JFOSEQHJLWJQGR-QAQDUYKDSA-N 0 3 323.396 2.133 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2cnn(C)c2)[C@H]1CC ZINC001479639117 1061548244 /nfs/dbraw/zinc/54/82/44/1061548244.db2.gz MZBDXKNCRGVBDM-VNQPRFMTSA-N 0 3 304.438 2.069 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnn(C)c1Cl ZINC001479736013 1061659909 /nfs/dbraw/zinc/65/99/09/1061659909.db2.gz NNXKZUDNMIXPNE-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc2cnccc2n1 ZINC001327265035 1148506542 /nfs/dbraw/zinc/50/65/42/1148506542.db2.gz RCUXQZMMNXGFJT-UHFFFAOYSA-N 0 3 310.401 2.047 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1ccc(C)c(C)c1 ZINC001479811626 1061826595 /nfs/dbraw/zinc/82/65/95/1061826595.db2.gz WLSGYRMOXUZQFN-UHFFFAOYSA-N 0 3 302.418 2.005 20 30 DEEDHN CC#CCN(C)CCCNC(=O)COc1cc(C)cc(C)c1 ZINC001479812413 1061827478 /nfs/dbraw/zinc/82/74/78/1061827478.db2.gz MCDRVDUQSQJDKH-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(F)ccc(C)c1F)C1CC1 ZINC001479874937 1061970033 /nfs/dbraw/zinc/97/00/33/1061970033.db2.gz IEYPIEHNEDBRMX-UHFFFAOYSA-N 0 3 306.356 2.491 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC001479903572 1062020555 /nfs/dbraw/zinc/02/05/55/1062020555.db2.gz YNQMAGNXPSWFOQ-CABCVRRESA-N 0 3 310.388 2.416 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001479923655 1062054746 /nfs/dbraw/zinc/05/47/46/1062054746.db2.gz ZXZVYAXBNIDCIB-ZWKOTPCHSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001479936647 1062062347 /nfs/dbraw/zinc/06/23/47/1062062347.db2.gz LQNKWISDALBCKZ-DLBZAZTESA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001479940717 1062066656 /nfs/dbraw/zinc/06/66/56/1062066656.db2.gz BPMRUEKUDLHRJJ-QAQDUYKDSA-N 0 3 307.482 2.123 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCc2cccnc2)CC1 ZINC001479982611 1062143755 /nfs/dbraw/zinc/14/37/55/1062143755.db2.gz KAZXKUCJOGYUKL-QGZVFWFLSA-N 0 3 311.429 2.008 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001480038532 1062224085 /nfs/dbraw/zinc/22/40/85/1062224085.db2.gz KEYVIDDSWBAWDT-KMUNFCNLSA-N 0 3 303.431 2.260 20 30 DEEDHN C=CCCC(=O)NCC1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001506647898 1062235919 /nfs/dbraw/zinc/23/59/19/1062235919.db2.gz HPXLZIKBRFMNMG-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCO1 ZINC001480091315 1062313776 /nfs/dbraw/zinc/31/37/76/1062313776.db2.gz JLWCLBMUTHCIBM-IYBDPMFKSA-N 0 3 320.433 2.296 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cnn1C ZINC001480098455 1062321848 /nfs/dbraw/zinc/32/18/48/1062321848.db2.gz OAJLHIFALLRFLT-HRCADAONSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001480107021 1062335775 /nfs/dbraw/zinc/33/57/75/1062335775.db2.gz XIOWXKYTYYWMLR-HNNXBMFYSA-N 0 3 301.365 2.354 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCc2cncs2)C1 ZINC001480150282 1062392430 /nfs/dbraw/zinc/39/24/30/1062392430.db2.gz BEKNOXIVGYDANF-XEZPLFJOSA-N 0 3 323.462 2.109 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@]3(C)CC[C@H](C)C3(C)C)[C@@H]2C1 ZINC001506822878 1062411177 /nfs/dbraw/zinc/41/11/77/1062411177.db2.gz URYBLJGDGTXWMM-ZAHIEGGZSA-N 0 3 302.462 2.376 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C3(C4CCCCC4)CC3)[C@@H]2C1 ZINC001506824575 1062411269 /nfs/dbraw/zinc/41/12/69/1062411269.db2.gz DUBMEBQSUDZHDU-OSYLJGHBSA-N 0 3 300.446 2.274 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001480195356 1062448846 /nfs/dbraw/zinc/44/88/46/1062448846.db2.gz IINWBJOHEOVSGH-OKILXGFUSA-N 0 3 303.362 2.298 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCCCOCC)C[C@]2(C)C1 ZINC001506870698 1062455001 /nfs/dbraw/zinc/45/50/01/1062455001.db2.gz VQQDZFRDLQMQRM-KDURUIRLSA-N 0 3 320.477 2.387 20 30 DEEDHN C[C@H](CCCNCc1ccc(F)cn1)NC(=O)C#CC1CC1 ZINC001506923950 1062531261 /nfs/dbraw/zinc/53/12/61/1062531261.db2.gz JZAONXSILHTKMP-CYBMUJFWSA-N 0 3 303.381 2.009 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480334634 1062671985 /nfs/dbraw/zinc/67/19/85/1062671985.db2.gz GDVYKGGQBXSMLA-SFHVURJKSA-N 0 3 315.461 2.275 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCC(=O)NCC(C)(C)C ZINC001480338339 1062678721 /nfs/dbraw/zinc/67/87/21/1062678721.db2.gz HLGOGJGAXYMQJE-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CCC(CC)C(=O)N[C@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001480378132 1062750397 /nfs/dbraw/zinc/75/03/97/1062750397.db2.gz ZDOWUFKJMOSDSR-NVXWUHKLSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001480385893 1062771845 /nfs/dbraw/zinc/77/18/45/1062771845.db2.gz FSPJMRHLBOXTFB-HUUCEWRRSA-N 0 3 315.889 2.296 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cnn(C)c2)CCCC1 ZINC001507167390 1062949155 /nfs/dbraw/zinc/94/91/55/1062949155.db2.gz YLOXVRTZXFBGJA-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN C[C@@H](CNC(=O)CC1(C)CC1)NCc1ccc(C#N)c(F)c1 ZINC001480506227 1062959396 /nfs/dbraw/zinc/95/93/96/1062959396.db2.gz RZXSGOPZZOULCN-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCC(=O)N1CCCCCC1 ZINC001480522467 1062983179 /nfs/dbraw/zinc/98/31/79/1062983179.db2.gz 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ZINC001507380623 1063196450 /nfs/dbraw/zinc/19/64/50/1063196450.db2.gz IQXLXRNMIPKPKD-DZGCQCFKSA-N 0 3 306.431 2.119 20 30 DEEDHN C#CCCCC(=O)NCCC[C@H]1CCCN1Cc1cncn1C ZINC001480822277 1063402569 /nfs/dbraw/zinc/40/25/69/1063402569.db2.gz PNIAEYFKHOVHHY-INIZCTEOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)C(C)C ZINC001507824831 1063431546 /nfs/dbraw/zinc/43/15/46/1063431546.db2.gz AVBDNVIQPLTFNZ-YOEHRIQHSA-N 0 3 318.465 2.430 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cc(N(C)C)ccn1)C(C)C ZINC001507861940 1063441833 /nfs/dbraw/zinc/44/18/33/1063441833.db2.gz JDLNLJGNNLHOFX-UHFFFAOYSA-N 0 3 304.438 2.116 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@@H]2CCCOC2)CC1 ZINC001508081888 1063541425 /nfs/dbraw/zinc/54/14/25/1063541425.db2.gz BHENQKHIVVKFAO-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCOCCNC/C=C\Cl)C1 ZINC001508179086 1063591151 /nfs/dbraw/zinc/59/11/51/1063591151.db2.gz MPYFRBRXPHFTEG-PLNGDYQASA-N 0 3 300.830 2.160 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)COCCc1ccccc1 ZINC001493168472 1063615996 /nfs/dbraw/zinc/61/59/96/1063615996.db2.gz UEZZOIZWLICEKU-GOSISDBHSA-N 0 3 316.445 2.402 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(OC)cc1C ZINC001493313927 1063714454 /nfs/dbraw/zinc/71/44/54/1063714454.db2.gz JLJCISYAWFKLRG-UHFFFAOYSA-N 0 3 302.418 2.469 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1ccnc(N(C)C)c1 ZINC001493564970 1063867389 /nfs/dbraw/zinc/86/73/89/1063867389.db2.gz HREFDLSQYFBEGD-UHFFFAOYSA-N 0 3 318.465 2.298 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)n2cccn2)C1 ZINC001493939565 1064031301 /nfs/dbraw/zinc/03/13/01/1064031301.db2.gz MXSBIMYSBKZFQZ-HZPDHXFCSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001509580809 1064050605 /nfs/dbraw/zinc/05/06/05/1064050605.db2.gz YIOJKOOJLIUQAL-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001494018553 1064085523 /nfs/dbraw/zinc/08/55/23/1064085523.db2.gz OBZCBJMISJEXQO-MRXNPFEDSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCOCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001494190553 1064164896 /nfs/dbraw/zinc/16/48/96/1064164896.db2.gz XFIJFFCJCAHDEL-QPJJXVBHSA-N 0 3 300.830 2.112 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001494134569 1064133622 /nfs/dbraw/zinc/13/36/22/1064133622.db2.gz HJMCDUWPWBYXCP-HNNXBMFYSA-N 0 3 318.465 2.303 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001567303846 1064141273 /nfs/dbraw/zinc/14/12/73/1064141273.db2.gz RFTKXDIKDKQGCI-ZDUSSCGKSA-N 0 3 304.381 2.063 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2cncc3ccccc32)C1 ZINC001567404041 1064183764 /nfs/dbraw/zinc/18/37/64/1064183764.db2.gz TWKAVYDPZISDHN-INIZCTEOSA-N 0 3 321.424 2.239 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001567416443 1064189577 /nfs/dbraw/zinc/18/95/77/1064189577.db2.gz ZTZAOCZCFZPZRB-IRXDYDNUSA-N 0 3 308.466 2.147 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cccc2c1OCC2 ZINC001567429740 1064196255 /nfs/dbraw/zinc/19/62/55/1064196255.db2.gz AIHGZWWAOUOISD-UHFFFAOYSA-N 0 3 300.402 2.087 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc(NC(C)=O)cc1)C1CC1 ZINC001567453908 1064205818 /nfs/dbraw/zinc/20/58/18/1064205818.db2.gz UNUMVHSTBNCPJL-UHFFFAOYSA-N 0 3 315.417 2.415 20 30 DEEDHN COCC#CCNCCN(C)C(=O)[C@@H](C)CC1CCCCC1 ZINC001567569311 1064257729 /nfs/dbraw/zinc/25/77/29/1064257729.db2.gz PLOHGCAOVMTHTP-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@@H](OC)C1CCC1)c1ccccc1 ZINC001567661392 1064324174 /nfs/dbraw/zinc/32/41/74/1064324174.db2.gz YAYDETLAPDYVMB-ROUUACIJSA-N 0 3 314.429 2.272 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@H](C)O ZINC001567673902 1064334695 /nfs/dbraw/zinc/33/46/95/1064334695.db2.gz OTLOKVVZBMNLOK-HRCADAONSA-N 0 3 308.466 2.425 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccnc2OC)C1 ZINC001567689384 1064345850 /nfs/dbraw/zinc/34/58/50/1064345850.db2.gz VUWCDRATYDKYND-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001567692771 1064349312 /nfs/dbraw/zinc/34/93/12/1064349312.db2.gz GHUNLMLOVBRVJO-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN CCC(C)(C)CC(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001567701500 1064359029 /nfs/dbraw/zinc/35/90/29/1064359029.db2.gz KGVCEVFDNNBLTA-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC001567706327 1064362948 /nfs/dbraw/zinc/36/29/48/1064362948.db2.gz XPYNKQFDCNHPAB-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001567709856 1064368349 /nfs/dbraw/zinc/36/83/49/1064368349.db2.gz XRUAKCJWXKTLAV-MSWKLTQHSA-N 0 3 312.841 2.158 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC1CN(CC[C@H](C)F)C1 ZINC001567846849 1064456692 /nfs/dbraw/zinc/45/66/92/1064456692.db2.gz JJOWULGQJWKTGF-AWEZNQCLSA-N 0 3 302.393 2.007 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCCCO2)C1 ZINC001567922613 1064524063 /nfs/dbraw/zinc/52/40/63/1064524063.db2.gz WKONAUUJSPQJNR-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(CCCO)C2)CCCCC1 ZINC001567928717 1064531445 /nfs/dbraw/zinc/53/14/45/1064531445.db2.gz NYXCIAVHXLHMJD-MRXNPFEDSA-N 0 3 308.466 2.428 20 30 DEEDHN C[C@@H]1CCCC[C@@]1(CNCC#N)NC(=O)CN(C)CC(C)(C)C ZINC001568041366 1064613396 /nfs/dbraw/zinc/61/33/96/1064613396.db2.gz QSUSAUZVQUXTGR-QAPCUYQASA-N 0 3 322.497 2.143 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)Cn2nccc2C)C1 ZINC001568069261 1064630431 /nfs/dbraw/zinc/63/04/31/1064630431.db2.gz LKLXPESOBALTNM-OAHLLOKOSA-N 0 3 324.856 2.162 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2oc(CC)nc2C)cc1 ZINC001568121095 1064656434 /nfs/dbraw/zinc/65/64/34/1064656434.db2.gz MRGZWTMINAAKSE-UHFFFAOYSA-N 0 3 311.385 2.198 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cnn(C(C)C)c2C)cc1 ZINC001568122004 1064658048 /nfs/dbraw/zinc/65/80/48/1064658048.db2.gz WHXUHHKFQVPIHI-UHFFFAOYSA-N 0 3 324.428 2.425 20 30 DEEDHN C=C(C)CCC(=O)N1CCC2(CN(CCn3cccn3)C2)CC1 ZINC001568250297 1064729842 /nfs/dbraw/zinc/72/98/42/1064729842.db2.gz BFSRZBBLMPDKPR-UHFFFAOYSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001568270162 1064743211 /nfs/dbraw/zinc/74/32/11/1064743211.db2.gz ZFKLGCWPHOSQOD-GUYCJALGSA-N 0 3 308.397 2.089 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nn(CC)cc2Cl)CC1 ZINC001616330712 1078130656 /nfs/dbraw/zinc/13/06/56/1078130656.db2.gz KLVMQHFIPOTZLM-UHFFFAOYSA-N 0 3 310.829 2.327 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001495399803 1064882280 /nfs/dbraw/zinc/88/22/80/1064882280.db2.gz YWOYMZINBJFMGC-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(CCNCc2nccs2)CC1 ZINC001495403170 1064884463 /nfs/dbraw/zinc/88/44/63/1064884463.db2.gz ITTFTWWJWRBLMO-GFCCVEGCSA-N 0 3 306.435 2.021 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001568481575 1064902966 /nfs/dbraw/zinc/90/29/66/1064902966.db2.gz UBRCHVIQYDTMGH-GOSISDBHSA-N 0 3 304.434 2.212 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001568485728 1064906850 /nfs/dbraw/zinc/90/68/50/1064906850.db2.gz HWEAGGJBRHXGAE-UHFFFAOYSA-N 0 3 304.419 2.328 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnn(CCC(C)C)c1C ZINC001568501511 1064915067 /nfs/dbraw/zinc/91/50/67/1064915067.db2.gz OMNGVWZLOAYEIS-UHFFFAOYSA-N 0 3 318.465 2.265 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cc(OC)ccn2)cc1 ZINC001495492788 1064942096 /nfs/dbraw/zinc/94/20/96/1064942096.db2.gz XAISXDIAUCJVFC-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C#CCC[NH+]1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001495504709 1064951214 /nfs/dbraw/zinc/95/12/14/1064951214.db2.gz MFVHHAWJVAFSTM-UHFFFAOYSA-N 0 3 300.402 2.247 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CC1CCN(OCC)CC1 ZINC001568554040 1064961315 /nfs/dbraw/zinc/96/13/15/1064961315.db2.gz GKOVHBPVBFZKGW-UHFFFAOYSA-N 0 3 311.470 2.006 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)NC(C)(C)CC ZINC001495573281 1064987137 /nfs/dbraw/zinc/98/71/37/1064987137.db2.gz DMGJJTYREGFQSP-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1nc(C(C)C)oc1CNCC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001568612071 1064992178 /nfs/dbraw/zinc/99/21/78/1064992178.db2.gz JVLKLACTXRVRBY-VXGBXAGGSA-N 0 3 306.410 2.251 20 30 DEEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)COC(C)(C)C ZINC001568621985 1065000126 /nfs/dbraw/zinc/00/01/26/1065000126.db2.gz HXNBXIGBXOSOSX-AWEZNQCLSA-N 0 3 317.433 2.358 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@@H]1CCC1(F)F ZINC001495686435 1065052569 /nfs/dbraw/zinc/05/25/69/1065052569.db2.gz JDOOMMJTQUKXFU-DOMZBBRYSA-N 0 3 321.371 2.445 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc2n1CCCCC2 ZINC001618813066 1078159087 /nfs/dbraw/zinc/15/90/87/1078159087.db2.gz DNCGRBZBFDGNLB-UHFFFAOYSA-N 0 3 304.438 2.189 20 30 DEEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620652496 1078166410 /nfs/dbraw/zinc/16/64/10/1078166410.db2.gz QPEAKBYDZVDDLP-AWEZNQCLSA-N 0 3 301.346 2.411 20 30 DEEDHN C=CCCC(=O)NC/C=C/CNCc1ccc(F)c(C#N)c1 ZINC001568826193 1065142261 /nfs/dbraw/zinc/14/22/61/1065142261.db2.gz WZCOAJPEWCLBHH-SNAWJCMRSA-N 0 3 301.365 2.426 20 30 DEEDHN C=C(Br)CNC1(CNC(=O)[C@@H](C)C#N)CCCC1 ZINC001495902082 1065167233 /nfs/dbraw/zinc/16/72/33/1065167233.db2.gz XRBDFKRFIUAPDM-JTQLQIEISA-N 0 3 314.227 2.073 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1ccc(-c2ccccc2)nc1 ZINC001568939260 1065201724 /nfs/dbraw/zinc/20/17/24/1065201724.db2.gz LFXXARODLVJXOW-VOTSOKGWSA-N 0 3 305.381 2.257 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCNC(=O)[C@H]1CCCN1C(C)C ZINC001496032726 1065240730 /nfs/dbraw/zinc/24/07/30/1065240730.db2.gz FQNTWJHOQRNBED-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1nc(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)co1 ZINC001496038190 1065243867 /nfs/dbraw/zinc/24/38/67/1065243867.db2.gz DNCCAJJKFDEGBA-CQSZACIVSA-N 0 3 311.385 2.085 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCC(=O)N1CCCC[C@@H]1C ZINC001569060913 1065264694 /nfs/dbraw/zinc/26/46/94/1065264694.db2.gz YILLRCCJJDKIAO-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001569122068 1065301367 /nfs/dbraw/zinc/30/13/67/1065301367.db2.gz VEZZLRWNIACDDD-GOEBONIOSA-N 0 3 301.434 2.233 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001569130649 1065307427 /nfs/dbraw/zinc/30/74/27/1065307427.db2.gz ZZWASXXOPRKTAM-LUKYLMHMSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1nccs1 ZINC001569158994 1065328495 /nfs/dbraw/zinc/32/84/95/1065328495.db2.gz OGTOCWURRBVJHM-ZIAGYGMSSA-N 0 3 323.462 2.110 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nccc2cccnc21 ZINC001569360631 1065457232 /nfs/dbraw/zinc/45/72/32/1065457232.db2.gz DJZVQMBTLYYDGZ-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cnn(C)c1CC ZINC001569364176 1065459644 /nfs/dbraw/zinc/45/96/44/1065459644.db2.gz BWABYFGPZARUER-KBPBESRZSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)CCn1cc(Cl)cn1 ZINC001569386678 1065481538 /nfs/dbraw/zinc/48/15/38/1065481538.db2.gz SWSIJENHVDQRLI-AWEZNQCLSA-N 0 3 310.829 2.083 20 30 DEEDHN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CCCCCC ZINC001569448454 1065513523 /nfs/dbraw/zinc/51/35/23/1065513523.db2.gz AHHRLBQWYFZFJE-MSOLQXFVSA-N 0 3 319.493 2.197 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCCOC(C)C)C2)C1 ZINC001569466830 1065523287 /nfs/dbraw/zinc/52/32/87/1065523287.db2.gz GFGMSHNXGRNWNN-SFHVURJKSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](NCc1c(C)noc1C)C(C)C ZINC001496547785 1065555173 /nfs/dbraw/zinc/55/51/73/1065555173.db2.gz AMOXFDFUDJYIBR-MRXNPFEDSA-N 0 3 305.422 2.325 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ncoc2C(C)(C)C)CC1 ZINC001569706162 1065681629 /nfs/dbraw/zinc/68/16/29/1065681629.db2.gz BIPPRSNLESLLLN-UHFFFAOYSA-N 0 3 317.433 2.437 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)Cc2cccc(Cl)c2)C1 ZINC001569758078 1065709402 /nfs/dbraw/zinc/70/94/02/1065709402.db2.gz WAYLJIVTTVYHOQ-KRWDZBQOSA-N 0 3 322.836 2.012 20 30 DEEDHN C=CC(C)(C)C(=O)N(CC)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001496789142 1065714538 /nfs/dbraw/zinc/71/45/38/1065714538.db2.gz XJZWTMPTDFWIPY-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN[C@@H](CNC(=O)C1=COCCO1)c1ccccc1CC ZINC001569800728 1065725120 /nfs/dbraw/zinc/72/51/20/1065725120.db2.gz UTPCGYWMCUNWLI-INIZCTEOSA-N 0 3 316.401 2.070 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(COC)CCCC1 ZINC001569910837 1065814400 /nfs/dbraw/zinc/81/44/00/1065814400.db2.gz WWKXGRBVPJERJT-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cn(CC)cn1 ZINC001570028154 1065892220 /nfs/dbraw/zinc/89/22/20/1065892220.db2.gz LGAHGRKDABIHCH-UHFFFAOYSA-N 0 3 312.417 2.451 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001497099922 1065894951 /nfs/dbraw/zinc/89/49/51/1065894951.db2.gz YKQQRMYGQUCFEN-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCNC1(CNC(=O)c2ncc(Cl)cc2Cl)CCC1 ZINC001570122356 1065932907 /nfs/dbraw/zinc/93/29/07/1065932907.db2.gz JLAHMWPLSSKBSV-UHFFFAOYSA-N 0 3 312.200 2.264 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)CCC1 ZINC001570125395 1065935012 /nfs/dbraw/zinc/93/50/12/1065935012.db2.gz WRIGQEPTWQJNQO-OAHLLOKOSA-N 0 3 302.805 2.241 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cccc(Cl)c2C)CCO1 ZINC001570140906 1065939329 /nfs/dbraw/zinc/93/93/29/1065939329.db2.gz LHNTUXJHQBQNJX-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001570174783 1065953855 /nfs/dbraw/zinc/95/38/55/1065953855.db2.gz JMVHULHBVMKZLY-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CC#CCOC)C1 ZINC001570220354 1065978197 /nfs/dbraw/zinc/97/81/97/1065978197.db2.gz PZBXMORZKIPBJW-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)COCC=C ZINC001570269138 1065997905 /nfs/dbraw/zinc/99/79/05/1065997905.db2.gz OZWFVHLKLJNUTC-SFHVURJKSA-N 0 3 314.429 2.308 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(OC)ns2)C1 ZINC001570352285 1066027486 /nfs/dbraw/zinc/02/74/86/1066027486.db2.gz UIZMPEIAAYZNAR-OCCSQVGLSA-N 0 3 323.462 2.445 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1cccc2cnccc21 ZINC001497408425 1066078981 /nfs/dbraw/zinc/07/89/81/1066078981.db2.gz VCQLXSRYSWXCMC-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCCO ZINC001570520842 1066103178 /nfs/dbraw/zinc/10/31/78/1066103178.db2.gz RVHQPJMVGIZZPD-SJLPKXTDSA-N 0 3 302.418 2.097 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCN(C(=O)[C@H](CC)N(C)C)C1CC1 ZINC001497504112 1066117708 /nfs/dbraw/zinc/11/77/08/1066117708.db2.gz MPBXWYUEBSCNGO-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(F)cc2ccncc21 ZINC001497586356 1066151543 /nfs/dbraw/zinc/15/15/43/1066151543.db2.gz VDEMJLNZQMSSJO-PLNGDYQASA-N 0 3 311.360 2.273 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)CC1(C)CCCCC1 ZINC001497633366 1066199915 /nfs/dbraw/zinc/19/99/15/1066199915.db2.gz TUOOFQQAFBTGEO-SREVYHEPSA-N 0 3 306.450 2.259 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001497759471 1066291319 /nfs/dbraw/zinc/29/13/19/1066291319.db2.gz ZRUOSNSFUCESLB-RGDDUWESSA-N 0 3 302.393 2.290 20 30 DEEDHN CC(C)CC[C@H](N)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001575558909 1066351082 /nfs/dbraw/zinc/35/10/82/1066351082.db2.gz NLKQRTKZUUWVNA-IRXDYDNUSA-N 0 3 315.417 2.222 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@@H](C)C(=O)Nc1ccccc1 ZINC001497875119 1066382738 /nfs/dbraw/zinc/38/27/38/1066382738.db2.gz BVUDNAINDYKRQG-KGLIPLIRSA-N 0 3 317.433 2.320 20 30 DEEDHN C[C@](O)(CNC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC001576259021 1066538236 /nfs/dbraw/zinc/53/82/36/1066538236.db2.gz MBGCPIUCYYACSN-ZBFHGGJFSA-N 0 3 323.824 2.075 20 30 DEEDHN COc1cccc(CN(C)C[C@@H](C)NC(=O)C#CC2CC2)c1C ZINC001498275579 1066609661 /nfs/dbraw/zinc/60/96/61/1066609661.db2.gz GDNXORZOTVHWLE-CQSZACIVSA-N 0 3 314.429 2.354 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498355991 1066651170 /nfs/dbraw/zinc/65/11/70/1066651170.db2.gz LJUUBLIAAWGUEY-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)c2cccc(F)c2O1 ZINC001576759689 1066682047 /nfs/dbraw/zinc/68/20/47/1066682047.db2.gz BKPJKNKPGXUQGF-DGCLKSJQSA-N 0 3 305.353 2.351 20 30 DEEDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC001576879151 1066708255 /nfs/dbraw/zinc/70/82/55/1066708255.db2.gz LVUCVNBJQQYZNA-AGIUHOORSA-N 0 3 303.431 2.248 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001577429886 1066840173 /nfs/dbraw/zinc/84/01/73/1066840173.db2.gz AHLCJJFPQDHSPY-HRCADAONSA-N 0 3 323.481 2.334 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001635757791 1078457788 /nfs/dbraw/zinc/45/77/88/1078457788.db2.gz LZNXDZHNYULGQU-HNNXBMFYSA-N 0 3 324.465 2.321 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc(C)nc1C(C)C ZINC001635753069 1078457901 /nfs/dbraw/zinc/45/79/01/1078457901.db2.gz FXJRYNMCFGBTKX-UHFFFAOYSA-N 0 3 304.438 2.488 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1sc(C)nc1C ZINC001499026557 1067034439 /nfs/dbraw/zinc/03/44/39/1067034439.db2.gz SAJSTSQWZRWWLI-AWEZNQCLSA-N 0 3 307.463 2.459 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CC3(F)F)CC2)cc1F ZINC001499217576 1067145705 /nfs/dbraw/zinc/14/57/05/1067145705.db2.gz YXUOBEPJBSVAOW-LBPRGKRZSA-N 0 3 323.318 2.091 20 30 DEEDHN C#CCOCCC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001499221432 1067147284 /nfs/dbraw/zinc/14/72/84/1067147284.db2.gz OXXGOZQTOYTWGC-UHFFFAOYSA-N 0 3 320.820 2.118 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001499319014 1067179580 /nfs/dbraw/zinc/17/95/80/1067179580.db2.gz PDCLBUYMSYCEMX-OAHLLOKOSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001499509754 1067240060 /nfs/dbraw/zinc/24/00/60/1067240060.db2.gz LAAFBOJVKKAZBS-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](NCc2cnc(C)s2)C1 ZINC001267005354 1078494581 /nfs/dbraw/zinc/49/45/81/1078494581.db2.gz CQFZWNGHZJZTMG-OCCSQVGLSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)CCOC)C2)C1 ZINC001499573643 1067263483 /nfs/dbraw/zinc/26/34/83/1067263483.db2.gz GOWANOFLXWEULW-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001267037554 1078520401 /nfs/dbraw/zinc/52/04/01/1078520401.db2.gz GPVVWWJGCOHVJU-VCEFJNLBSA-N 0 3 321.248 2.071 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2nccn2C(F)F)C1 ZINC001267037415 1078520468 /nfs/dbraw/zinc/52/04/68/1078520468.db2.gz DOIBBVCAPVOXMX-ZDUSSCGKSA-N 0 3 324.375 2.020 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001579852312 1067439155 /nfs/dbraw/zinc/43/91/55/1067439155.db2.gz UODONVGOTZNLKI-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC001580050502 1067482004 /nfs/dbraw/zinc/48/20/04/1067482004.db2.gz CXXJMGSEFBACQC-GJZGRUSLSA-N 0 3 307.438 2.396 20 30 DEEDHN N#CCc1ccccc1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001580055686 1067484920 /nfs/dbraw/zinc/48/49/20/1067484920.db2.gz UNSMEAAXXRUMKN-KRWDZBQOSA-N 0 3 305.381 2.197 20 30 DEEDHN N#Cc1cccc(CC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC001580075985 1067490783 /nfs/dbraw/zinc/49/07/83/1067490783.db2.gz MOUWTYSFQHKXMA-GOSISDBHSA-N 0 3 321.380 2.400 20 30 DEEDHN C#CCN(C(=O)c1cc(Cl)cc(C)c1N)C1CCN(C)CC1 ZINC001639164990 1078598802 /nfs/dbraw/zinc/59/88/02/1078598802.db2.gz HTBQNVJJOMTVQJ-UHFFFAOYSA-N 0 3 319.836 2.400 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(CC)c[nH]c1=O ZINC001570544295 1067997051 /nfs/dbraw/zinc/99/70/51/1067997051.db2.gz UFHWWBNQWLOXSF-CQSZACIVSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001570544942 1067997850 /nfs/dbraw/zinc/99/78/50/1067997850.db2.gz HVOICMMHTGPDCJ-CJNGLKHVSA-N 0 3 318.465 2.314 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cn1nc(C)cc1C(F)F ZINC001640019684 1078637901 /nfs/dbraw/zinc/63/79/01/1078637901.db2.gz FFNWOVYRMLUMCF-UHFFFAOYSA-N 0 3 314.380 2.095 20 30 DEEDHN Cc1ccccc1OCCN(C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001570710494 1068086503 /nfs/dbraw/zinc/08/65/03/1068086503.db2.gz JCFCWDRKXXVJKG-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)CCOCC(F)F)C1 ZINC001570734301 1068103155 /nfs/dbraw/zinc/10/31/55/1068103155.db2.gz QVAZHEYYFNWZCU-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001570828695 1068132235 /nfs/dbraw/zinc/13/22/35/1068132235.db2.gz RKXHVODDBVYOMO-ZBFHGGJFSA-N 0 3 304.438 2.070 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001571277173 1068208590 /nfs/dbraw/zinc/20/85/90/1068208590.db2.gz KKUFXXOFQYNWQJ-KBPBESRZSA-N 0 3 324.856 2.073 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC001571291395 1068210069 /nfs/dbraw/zinc/21/00/69/1068210069.db2.gz CBMNDAQFBQVNEU-NSHDSACASA-N 0 3 312.845 2.278 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@H]1CC1(F)F)NCC#Cc1ccccc1 ZINC001571385669 1068265932 /nfs/dbraw/zinc/26/59/32/1068265932.db2.gz LSGIHAHVDCSVDC-DZGCQCFKSA-N 0 3 306.356 2.130 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1cn(C)nc1C ZINC001571404653 1068278169 /nfs/dbraw/zinc/27/81/69/1068278169.db2.gz PTOAQDRWNDFCLW-CXAGYDPISA-N 0 3 306.454 2.267 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@@H]1CCCc2ccccc21 ZINC001571431581 1068290641 /nfs/dbraw/zinc/29/06/41/1068290641.db2.gz YGEIKGRYTQMTMD-SJLPKXTDSA-N 0 3 316.445 2.487 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1cccnc1 ZINC001571449549 1068296190 /nfs/dbraw/zinc/29/61/90/1068296190.db2.gz OWMGPJZGKKEDOD-QFBILLFUSA-N 0 3 319.408 2.326 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(CC)[C@H](C)c1ccc(F)cc1 ZINC001267241412 1078691504 /nfs/dbraw/zinc/69/15/04/1078691504.db2.gz WXTHTUMQROTALL-CABCVRRESA-N 0 3 320.408 2.363 20 30 DEEDHN C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001571506560 1068366924 /nfs/dbraw/zinc/36/69/24/1068366924.db2.gz GWVFJSIMITXRTD-BHYGNILZSA-N 0 3 312.413 2.246 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NC(=O)CN(C)CCC)C1 ZINC001511985885 1068445946 /nfs/dbraw/zinc/44/59/46/1068445946.db2.gz ACPAJUPMEZXHFQ-JTTJXQCZSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001571646576 1068457447 /nfs/dbraw/zinc/45/74/47/1068457447.db2.gz ZVBSPXGBPHFOND-CRAIPNDOSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3cc(C)ccc3C)[C@H]2C1 ZINC001083258806 1078717410 /nfs/dbraw/zinc/71/74/10/1078717410.db2.gz XIAWHVIYQQAXRG-ZWKOTPCHSA-N 0 3 314.429 2.405 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001267298492 1078745207 /nfs/dbraw/zinc/74/52/07/1078745207.db2.gz PJAXWFIYBJGDIN-QGZVFWFLSA-N 0 3 314.429 2.008 20 30 DEEDHN C=CCN[C@H](CNC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC001267358170 1078790780 /nfs/dbraw/zinc/79/07/80/1078790780.db2.gz XRINGPJVMWDUQA-NVXWUHKLSA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCN2C[C@H]2CCCOC2)CCC1 ZINC001483679051 1078780677 /nfs/dbraw/zinc/78/06/77/1078780677.db2.gz WPGICOVLBHCSBZ-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001483680885 1078783846 /nfs/dbraw/zinc/78/38/46/1078783846.db2.gz BLYHRUHGSNAZCL-INIZCTEOSA-N 0 3 300.402 2.392 20 30 DEEDHN CC(C)CO[C@H](C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267351299 1078786181 /nfs/dbraw/zinc/78/61/81/1078786181.db2.gz DUPKFTUVXGFPBL-OAHLLOKOSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001267366916 1078797442 /nfs/dbraw/zinc/79/74/42/1078797442.db2.gz NPTIRNFLNKGSSU-KRWDZBQOSA-N 0 3 308.397 2.009 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ccn(C)c1C)c1ccccc1 ZINC001267371060 1078800181 /nfs/dbraw/zinc/80/01/81/1078800181.db2.gz WBBBXVWVJKTLNE-SFHVURJKSA-N 0 3 309.413 2.418 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@H](C)O ZINC001267401296 1078825192 /nfs/dbraw/zinc/82/51/92/1078825192.db2.gz ODOZRNSWLAICJI-YESZJQIVSA-N 0 3 306.450 2.016 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001267401744 1078825880 /nfs/dbraw/zinc/82/58/80/1078825880.db2.gz TUWQWDUARJYRHS-UXLLHSPISA-N 0 3 312.429 2.129 20 30 DEEDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1ccc(OCC#N)cc1 ZINC001573719303 1069079313 /nfs/dbraw/zinc/07/93/13/1069079313.db2.gz OBAVHLJKAKLRHE-JKSUJKDBSA-N 0 3 315.417 2.120 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CC ZINC001519961352 1069085788 /nfs/dbraw/zinc/08/57/88/1069085788.db2.gz WLSNQIWXKZOBPY-ZMSDIMECSA-N 0 3 323.481 2.035 20 30 DEEDHN COCC[C@H](N)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001573974007 1069139031 /nfs/dbraw/zinc/13/90/31/1069139031.db2.gz DKNDJUURBSWHDR-LSDHHAIUSA-N 0 3 303.406 2.029 20 30 DEEDHN N#Cc1cccc(NC(=O)[C@@H]2CCCCN2)c1Br ZINC001574250344 1069188625 /nfs/dbraw/zinc/18/86/25/1069188625.db2.gz ZBIKSQOXCSARNA-NSHDSACASA-N 0 3 308.179 2.401 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001521073840 1069204871 /nfs/dbraw/zinc/20/48/71/1069204871.db2.gz ZVVPXVMKKPWVIA-VKJFTORMSA-N 0 3 323.481 2.035 20 30 DEEDHN C#Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)c1 ZINC001574765526 1069259824 /nfs/dbraw/zinc/25/98/24/1069259824.db2.gz FESRUAGOALGMRP-MRXNPFEDSA-N 0 3 319.364 2.132 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC001574963542 1069309032 /nfs/dbraw/zinc/30/90/32/1069309032.db2.gz WKSBQONVCDCOCI-KRWDZBQOSA-N 0 3 302.393 2.348 20 30 DEEDHN Cc1cncc(CNCCN(C)C(=O)CC#Cc2ccccc2)c1 ZINC001267472610 1078893267 /nfs/dbraw/zinc/89/32/67/1078893267.db2.gz SLQSVSJLVVGRTI-UHFFFAOYSA-N 0 3 321.424 2.380 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C#CC(C)(C)C)CC2)cc1 ZINC001483732790 1078907884 /nfs/dbraw/zinc/90/78/84/1078907884.db2.gz LZQWYHVLPCLMMG-UHFFFAOYSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2c(C)nn(C)c2F)C1 ZINC001267488841 1078914195 /nfs/dbraw/zinc/91/41/95/1078914195.db2.gz QLNHXEVXTBWOGU-AWEZNQCLSA-N 0 3 322.428 2.370 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)COc2cccnc2)C1 ZINC001267489233 1078915487 /nfs/dbraw/zinc/91/54/87/1078915487.db2.gz WCEWSDVYBQWSGE-INIZCTEOSA-N 0 3 317.433 2.349 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC001272556258 1078960611 /nfs/dbraw/zinc/96/06/11/1078960611.db2.gz PWUHJGXMUKWKJZ-UONOGXRCSA-N 0 3 302.846 2.238 20 30 DEEDHN C=CCN[C@H](CNC(=O)COc1cccnc1)c1ccccc1 ZINC001267523296 1078952783 /nfs/dbraw/zinc/95/27/83/1078952783.db2.gz RMMVFQIRBDXIIK-QGZVFWFLSA-N 0 3 311.385 2.094 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](NCC=C)c2ccccc2)cn1 ZINC001267525340 1078955502 /nfs/dbraw/zinc/95/55/02/1078955502.db2.gz LGHLJNHOEHILSQ-SFHVURJKSA-N 0 3 305.381 2.310 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(CO)cc1 ZINC001272565975 1078964665 /nfs/dbraw/zinc/96/46/65/1078964665.db2.gz UKEHVPYGDRJJMR-LJQANCHMSA-N 0 3 314.429 2.322 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCc2cncnc2)C1 ZINC001267543758 1078973346 /nfs/dbraw/zinc/97/33/46/1078973346.db2.gz KFKZADJFMVSIQS-QGZVFWFLSA-N 0 3 316.449 2.298 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2ccncn2)C1 ZINC001267541582 1078971588 /nfs/dbraw/zinc/97/15/88/1078971588.db2.gz DPIALWAGTJQHTM-KRWDZBQOSA-N 0 3 316.449 2.298 20 30 DEEDHN CC(C)CN1CC[C@@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001272600785 1078998479 /nfs/dbraw/zinc/99/84/79/1078998479.db2.gz MANFNRADGYRQRA-GOSISDBHSA-N 0 3 312.417 2.034 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cccc(C)c2Cl)CC1 ZINC001483751776 1079012586 /nfs/dbraw/zinc/01/25/86/1079012586.db2.gz MJOBXNIEIATOFW-UHFFFAOYSA-N 0 3 304.821 2.453 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)CCc1ccccc1F ZINC001480973877 1079017904 /nfs/dbraw/zinc/01/79/04/1079017904.db2.gz OOCFSOLRSFPJFU-UHFFFAOYSA-N 0 3 304.409 2.466 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272636978 1079025675 /nfs/dbraw/zinc/02/56/75/1079025675.db2.gz IJUCQOIXOKZTGO-GOSISDBHSA-N 0 3 316.401 2.154 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C(C)(CC)CC)CC1 ZINC001267577279 1079063110 /nfs/dbraw/zinc/06/31/10/1079063110.db2.gz KAZLUYZGTFBQBA-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc3nc(C)sc3c2)CC1 ZINC001483782040 1079118271 /nfs/dbraw/zinc/11/82/71/1079118271.db2.gz ZOGDSSNXKZIBIQ-UHFFFAOYSA-N 0 3 313.426 2.480 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCC[C@H]1CNCCF ZINC001649438380 1079118801 /nfs/dbraw/zinc/11/88/01/1079118801.db2.gz BRUCBIWCYMJLEC-HOCLYGCPSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001649438658 1079118902 /nfs/dbraw/zinc/11/89/02/1079118902.db2.gz IQKUJSAWYBRQFC-SDPXSBNPSA-N 0 3 305.426 2.013 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H](C)[C@@H](NCc3cncn3C)C2)CCC1 ZINC001649460230 1079129232 /nfs/dbraw/zinc/12/92/32/1079129232.db2.gz AKQOVQVRFNNLJD-ZBFHGGJFSA-N 0 3 316.449 2.103 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CCCN1CCc1ccns1 ZINC001481052450 1079129514 /nfs/dbraw/zinc/12/95/14/1079129514.db2.gz MHFDMKHPQFHRPG-OAHLLOKOSA-N 0 3 319.474 2.460 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc21 ZINC001481066620 1079146898 /nfs/dbraw/zinc/14/68/98/1079146898.db2.gz YIBMNFUFRJNBKM-MRXNPFEDSA-N 0 3 312.417 2.193 20 30 DEEDHN CCCc1nc(C)c(CN2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)o1 ZINC001481083576 1079166022 /nfs/dbraw/zinc/16/60/22/1079166022.db2.gz LUCKXHOWFKNFGW-GXTWGEPZSA-N 0 3 318.421 2.033 20 30 DEEDHN Cc1ccc(F)c(CN2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001481083378 1079166237 /nfs/dbraw/zinc/16/62/37/1079166237.db2.gz KJYIGAJIGBJFQN-UONOGXRCSA-N 0 3 303.381 2.232 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCCNc1ncccc1C#N ZINC001329344514 1148886469 /nfs/dbraw/zinc/88/64/69/1148886469.db2.gz HOMXNPBWQIWDBX-UHFFFAOYSA-N 0 3 320.400 2.093 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001481095506 1079178720 /nfs/dbraw/zinc/17/87/20/1079178720.db2.gz KAIWZBDZKMNNTA-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN N#CC[C@@]1(O)CCN(CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001649846979 1079261805 /nfs/dbraw/zinc/26/18/05/1079261805.db2.gz MCEVLBGAMHEOGU-CQSZACIVSA-N 0 3 314.307 2.478 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001484072661 1079287312 /nfs/dbraw/zinc/28/73/12/1079287312.db2.gz ZDJBFUJHAAIHAR-IBGZPJMESA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001484068540 1079289775 /nfs/dbraw/zinc/28/97/75/1079289775.db2.gz CRLCQIPQOWWXPH-VQIMIIECSA-N 0 3 314.429 2.366 20 30 DEEDHN C[C@@H]1[C@@H](C(=O)C(C#N)c2nc(N)c3ccccc3n2)C1(F)F ZINC001646837725 1074643272 /nfs/dbraw/zinc/64/32/72/1074643272.db2.gz OZMDAHABRSOPFO-HDBBIHSSSA-N 0 3 302.284 2.289 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCc1nnc(C(C)C)o1 ZINC001646898887 1074679766 /nfs/dbraw/zinc/67/97/66/1074679766.db2.gz SSITZMXOBYXZGP-NSHDSACASA-N 0 3 301.350 2.218 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2cc(OC)ccn2)C1 ZINC001267633213 1079318708 /nfs/dbraw/zinc/31/87/08/1079318708.db2.gz VLRXPZXBJIYACS-HNNXBMFYSA-N 0 3 317.433 2.337 20 30 DEEDHN COc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1C#N ZINC001647380194 1074903404 /nfs/dbraw/zinc/90/34/04/1074903404.db2.gz BKPAKVPTSQTTKC-KRWDZBQOSA-N 0 3 321.380 2.070 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccnc(N(C)C)c2)C1 ZINC001484170299 1079342552 /nfs/dbraw/zinc/34/25/52/1079342552.db2.gz NJPSRRFXFAZDKE-GOSISDBHSA-N 0 3 316.449 2.166 20 30 DEEDHN C=CCC[C@@H](C(=O)N1CC(N[C@H]2CCOC2)C1)c1ccccc1 ZINC001647773026 1074981168 /nfs/dbraw/zinc/98/11/68/1074981168.db2.gz LGECEAOJCDHTNL-FUHWJXTLSA-N 0 3 314.429 2.326 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2cc(C(=O)OC)ccc2Cl)C1 ZINC001561006653 1075149369 /nfs/dbraw/zinc/14/93/69/1075149369.db2.gz WXEGFIAOKPRMLE-OAHLLOKOSA-N 0 3 320.820 2.314 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)[C@H](C)c2ccccc2C)C1 ZINC001484252001 1079369917 /nfs/dbraw/zinc/36/99/17/1079369917.db2.gz JMJIGVDUSWSGGD-APWZRJJASA-N 0 3 316.445 2.228 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CC[C@@H]2CCCCO2)[C@H]1C ZINC001566105315 1075229153 /nfs/dbraw/zinc/22/91/53/1075229153.db2.gz AVHITZUYXHKNFR-IKGGRYGDSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001566101702 1075229816 /nfs/dbraw/zinc/22/98/16/1075229816.db2.gz ADZTUQCRLKTGHH-HLLBOEOZSA-N 0 3 304.438 2.064 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001566124482 1075232487 /nfs/dbraw/zinc/23/24/87/1075232487.db2.gz VCCGQDATGXJJEV-ARFHVFGLSA-N 0 3 316.449 2.023 20 30 DEEDHN C=CCCC(=O)NC[C@H](CO)NCc1ccc(Cl)cc1C ZINC001283744654 1079379718 /nfs/dbraw/zinc/37/97/18/1079379718.db2.gz GZHVLGBVHGTRRT-OAHLLOKOSA-N 0 3 310.825 2.181 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@]12CCO[C@H]1CCCC2)C1CC1 ZINC001566591580 1075290890 /nfs/dbraw/zinc/29/08/90/1075290890.db2.gz CTTLRPPKCGCIHY-HKUYNNGSSA-N 0 3 318.461 2.330 20 30 DEEDHN CC[C@@H]1CCC[C@@H]1C(=O)NCCCN(CC#CCOC)C1CC1 ZINC001566596312 1075292783 /nfs/dbraw/zinc/29/27/83/1075292783.db2.gz CQUZJPWOIZDNLO-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001566611132 1075296236 /nfs/dbraw/zinc/29/62/36/1075296236.db2.gz XEDVEWDVSDWPEJ-SFHVURJKSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(CCCCCF)C1 ZINC001566628886 1075301565 /nfs/dbraw/zinc/30/15/65/1075301565.db2.gz JTGVZTFWZHSXJI-OAGGEKHMSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2cccc(F)c2C)CC1 ZINC001566648969 1075304611 /nfs/dbraw/zinc/30/46/11/1075304611.db2.gz CGJODQOZFYBVOK-UHFFFAOYSA-N 0 3 319.424 2.058 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2ccoc2C2CC2)CC1 ZINC001566651588 1075304817 /nfs/dbraw/zinc/30/48/17/1075304817.db2.gz WVAVBTNNUXYHOR-UHFFFAOYSA-N 0 3 317.433 2.081 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C2(CCOCC)CCCC2)C1 ZINC001566879663 1075373134 /nfs/dbraw/zinc/37/31/34/1075373134.db2.gz RFRPVSPDPLZVDF-QGZVFWFLSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)CC(F)(F)F ZINC001566916021 1075383840 /nfs/dbraw/zinc/38/38/40/1075383840.db2.gz XOQHAILGDBUMPV-GFCCVEGCSA-N 0 3 308.344 2.112 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001566928296 1075389257 /nfs/dbraw/zinc/38/92/57/1075389257.db2.gz CXSJMUQMOIPMRO-CVEARBPZSA-N 0 3 304.438 2.381 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001566928298 1075389781 /nfs/dbraw/zinc/38/97/81/1075389781.db2.gz CXSJMUQMOIPMRO-HZPDHXFCSA-N 0 3 304.438 2.381 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C)CCOCC2)C1 ZINC001566964556 1075402332 /nfs/dbraw/zinc/40/23/32/1075402332.db2.gz ABQKOHIBUFFMSK-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCOCC(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001566992580 1075410598 /nfs/dbraw/zinc/41/05/98/1075410598.db2.gz WEWPFXCIIFCDKG-UHFFFAOYSA-N 0 3 321.421 2.093 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001567022417 1075418219 /nfs/dbraw/zinc/41/82/19/1075418219.db2.gz LBUQQBLZMOVCSM-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001267741026 1079437099 /nfs/dbraw/zinc/43/70/99/1079437099.db2.gz FRZFTRAFPFMHFN-MRXNPFEDSA-N 0 3 302.443 2.285 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H]1CCN(CCc2scnc2C)C1 ZINC001267759976 1079462244 /nfs/dbraw/zinc/46/22/44/1079462244.db2.gz SOPLLOYZEQCIQY-CQSZACIVSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CC2CC(F)(F)C2)C1 ZINC001267768456 1079472984 /nfs/dbraw/zinc/47/29/84/1079472984.db2.gz OQWFAHBEYWDDPK-CQSZACIVSA-N 0 3 316.392 2.157 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](OCC)C2CCCC2)C1 ZINC001267768519 1079473039 /nfs/dbraw/zinc/47/30/39/1079473039.db2.gz OVNMVDVUCGXBSB-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001267788099 1079495807 /nfs/dbraw/zinc/49/58/07/1079495807.db2.gz PWIXZINIFVUIJW-MRXNPFEDSA-N 0 3 318.465 2.078 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329443359 1148895963 /nfs/dbraw/zinc/89/59/63/1148895963.db2.gz ZBKKUXPYRYORKT-ZIAGYGMSSA-N 0 3 322.836 2.315 20 30 DEEDHN N#Cc1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001581869779 1076106312 /nfs/dbraw/zinc/10/63/12/1076106312.db2.gz JQPYFTFEMLPWLB-UHFFFAOYSA-N 0 3 322.347 2.210 20 30 DEEDHN N#Cc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001581869779 1076106319 /nfs/dbraw/zinc/10/63/19/1076106319.db2.gz JQPYFTFEMLPWLB-UHFFFAOYSA-N 0 3 322.347 2.210 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCO[C@@H]1C ZINC001588648113 1076459675 /nfs/dbraw/zinc/45/96/75/1076459675.db2.gz GXRPQURRPWFEEJ-CJNGLKHVSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCO[C@@H]1C ZINC001588648113 1076459677 /nfs/dbraw/zinc/45/96/77/1076459677.db2.gz GXRPQURRPWFEEJ-CJNGLKHVSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCO[C@@H]1C ZINC001588648113 1076459679 /nfs/dbraw/zinc/45/96/79/1076459679.db2.gz GXRPQURRPWFEEJ-CJNGLKHVSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCO[C@@H]1C ZINC001588648113 1076459684 /nfs/dbraw/zinc/45/96/84/1076459684.db2.gz GXRPQURRPWFEEJ-CJNGLKHVSA-N 0 3 313.405 2.280 20 30 DEEDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591009720 1076703074 /nfs/dbraw/zinc/70/30/74/1076703074.db2.gz FEYAPRMORBQWRD-CHWSQXEVSA-N 0 3 311.393 2.023 20 30 DEEDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591009720 1076703076 /nfs/dbraw/zinc/70/30/76/1076703076.db2.gz FEYAPRMORBQWRD-CHWSQXEVSA-N 0 3 311.393 2.023 20 30 DEEDHN N#Cc1cc(C[NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cs1 ZINC001592688420 1076953194 /nfs/dbraw/zinc/95/31/94/1076953194.db2.gz YEINJWAPYVCYOV-CQSZACIVSA-N 0 3 322.397 2.057 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1c[nH]cn1)c1ccccc1CC ZINC001484323009 1079537821 /nfs/dbraw/zinc/53/78/21/1079537821.db2.gz JKGRDVOFKMNCGD-QGZVFWFLSA-N 0 3 312.417 2.148 20 30 DEEDHN N#C[C@@]1(C(=O)Nc2cnc3c(c2)CNCC3)CC2CCC1CC2 ZINC001650340023 1079541255 /nfs/dbraw/zinc/54/12/55/1079541255.db2.gz BRYCXGHHRWJBEJ-WFZFXDGQSA-N 0 3 310.401 2.386 20 30 DEEDHN C[C@](CNCc1cncc(F)c1)(NC(=O)C#CC1CC1)C1CC1 ZINC001267853040 1079541579 /nfs/dbraw/zinc/54/15/79/1079541579.db2.gz HSUASFRYOFRTBQ-GOSISDBHSA-N 0 3 315.392 2.009 20 30 DEEDHN CC(C)C#CC(=O)N[C@@](C)(CNCc1ccc(F)cn1)C1CC1 ZINC001267852973 1079541597 /nfs/dbraw/zinc/54/15/97/1079541597.db2.gz HAZWTEXMSKOHJV-SFHVURJKSA-N 0 3 317.408 2.255 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001481277148 1079556259 /nfs/dbraw/zinc/55/62/59/1079556259.db2.gz LIQINHHBWKMLIF-KBXCAEBGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(CNC(=O)CC)cc1 ZINC001272682376 1079581280 /nfs/dbraw/zinc/58/12/80/1079581280.db2.gz JZTFSGWSQJXTRX-KGLIPLIRSA-N 0 3 317.433 2.054 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@](C)(CC(C)C)C(=O)OCC ZINC001650408652 1079597545 /nfs/dbraw/zinc/59/75/45/1079597545.db2.gz SHKLQUPFCJFSSA-IUODEOHRSA-N 0 3 318.845 2.188 20 30 DEEDHN C/C=C(\C)C(=O)NCc1ccc(CNCC#CCOC)cc1 ZINC001267936054 1079615806 /nfs/dbraw/zinc/61/58/06/1079615806.db2.gz FLYXPRVJJWPNHE-SYZQJQIISA-N 0 3 300.402 2.008 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC001267937179 1079618261 /nfs/dbraw/zinc/61/82/61/1079618261.db2.gz JGAWODUJMGNZDV-OAHLLOKOSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(C)c1 ZINC001484459515 1079618591 /nfs/dbraw/zinc/61/85/91/1079618591.db2.gz WHFZYZQPEXLHDC-SJORKVTESA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccc3cc[nH]c3n2)cc1 ZINC001267938483 1079619673 /nfs/dbraw/zinc/61/96/73/1079619673.db2.gz YBPKCJYLKBMTTM-UHFFFAOYSA-N 0 3 318.380 2.216 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](OC)C2CC2)cc1 ZINC001484559252 1079659615 /nfs/dbraw/zinc/65/96/15/1079659615.db2.gz OSZKGKJJQGPQEO-RDTXWAMCSA-N 0 3 314.429 2.402 20 30 DEEDHN CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001484564412 1079663366 /nfs/dbraw/zinc/66/33/66/1079663366.db2.gz OFMXIYIZHHHSNA-SHTZXODSSA-N 0 3 300.402 2.294 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(C)c(OC)c(C)c2)CCC1 ZINC001484635260 1079694316 /nfs/dbraw/zinc/69/43/16/1079694316.db2.gz BKOWMBAWYDIXKH-UHFFFAOYSA-N 0 3 300.402 2.187 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCC[C@@H](C)C2)CCC1 ZINC001484649981 1079707781 /nfs/dbraw/zinc/70/77/81/1079707781.db2.gz XRUHWMLLDGEPCV-CVEARBPZSA-N 0 3 306.450 2.091 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1 ZINC001484694089 1079725342 /nfs/dbraw/zinc/72/53/42/1079725342.db2.gz NCYPQNQGMBLIPE-SFHVURJKSA-N 0 3 324.380 2.010 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001484710996 1079734861 /nfs/dbraw/zinc/73/48/61/1079734861.db2.gz XAFBYESTKOMUFV-GXTWGEPZSA-N 0 3 318.421 2.176 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC001484729778 1079753976 /nfs/dbraw/zinc/75/39/76/1079753976.db2.gz XCLBOTGCRSNYEI-IRXDYDNUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C[C@H](F)CC ZINC001484758595 1079785803 /nfs/dbraw/zinc/78/58/03/1079785803.db2.gz IBCNQAZXPOEZDY-KFWWJZLASA-N 0 3 300.418 2.106 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CCc2nccs2)C1 ZINC001481412392 1079802704 /nfs/dbraw/zinc/80/27/04/1079802704.db2.gz VOINHYQTUISDRD-OAHLLOKOSA-N 0 3 319.474 2.412 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001484946979 1079873242 /nfs/dbraw/zinc/87/32/42/1079873242.db2.gz RBELDZLQIZZSEZ-HNNXBMFYSA-N 0 3 307.482 2.216 20 30 DEEDHN COCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001484968599 1079886424 /nfs/dbraw/zinc/88/64/24/1079886424.db2.gz JIKGPBVOZIEGIX-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](C3CC3)C2)c1 ZINC001652931218 1079905835 /nfs/dbraw/zinc/90/58/35/1079905835.db2.gz BXBJMXDGCRCVMP-OAHLLOKOSA-N 0 3 311.385 2.048 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@@H](C=C)CC)CCO2 ZINC001485007192 1079915292 /nfs/dbraw/zinc/91/52/92/1079915292.db2.gz SFLQUVKQYYOBIV-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001481470512 1079924107 /nfs/dbraw/zinc/92/41/07/1079924107.db2.gz DTXUKZIKIFKAIV-IEBWSBKVSA-N 0 3 319.493 2.219 20 30 DEEDHN C#C[C@H](NCCc1cccc2c1OC(F)(F)O2)[C@@H]1CCCO1 ZINC001653348756 1079925237 /nfs/dbraw/zinc/92/52/37/1079925237.db2.gz HKXRSKRYTFALFA-STQMWFEESA-N 0 3 309.312 2.321 20 30 DEEDHN Cc1noc(C)c1CNC[C@@H]1CCCCN1C(=O)C#CC(C)C ZINC001485037067 1079932772 /nfs/dbraw/zinc/93/27/72/1079932772.db2.gz UOTRUBZRUSWUCS-INIZCTEOSA-N 0 3 317.433 2.422 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001485039428 1079933539 /nfs/dbraw/zinc/93/35/39/1079933539.db2.gz ZYGOZHLUXWQGDD-HOTGVXAUSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001485096839 1079978259 /nfs/dbraw/zinc/97/82/59/1079978259.db2.gz ATVSZQLPAQCXPW-PQAZSJQKSA-N 0 3 300.830 2.038 20 30 DEEDHN Cc1ccncc1CNC[C@@H](C)N(C)C(=O)C#CC(C)(C)C ZINC001268063307 1080002299 /nfs/dbraw/zinc/00/22/99/1080002299.db2.gz MRDHTHINAKSLOP-OAHLLOKOSA-N 0 3 301.434 2.376 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CN[C@H](C)c1n[nH]c(C)n1 ZINC001268086876 1080043509 /nfs/dbraw/zinc/04/35/09/1080043509.db2.gz SGHPFRHZQZXYBO-VXGBXAGGSA-N 0 3 307.442 2.213 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001656150933 1080054831 /nfs/dbraw/zinc/05/48/31/1080054831.db2.gz ZQYMPUDGRCQKDC-UAGQMJEPSA-N 0 3 320.383 2.410 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H](C)[C@@H](C)NCc1ccccn1 ZINC001485219424 1080064068 /nfs/dbraw/zinc/06/40/68/1080064068.db2.gz XXXZSHLNTTUXSM-HZPDHXFCSA-N 0 3 321.424 2.288 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001656219524 1080067730 /nfs/dbraw/zinc/06/77/30/1080067730.db2.gz ROJTXZHADNHVHZ-SHTZXODSSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CN(CCCF)C[C@H]1c1ccccc1 ZINC001656248256 1080072408 /nfs/dbraw/zinc/07/24/08/1080072408.db2.gz JXFVPEWPXCOAQW-DLBZAZTESA-N 0 3 320.408 2.133 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCF)C1 ZINC001656254522 1080072454 /nfs/dbraw/zinc/07/24/54/1080072454.db2.gz VSKLGYYGDZDVAQ-DLBZAZTESA-N 0 3 302.393 2.344 20 30 DEEDHN CC(C)C[C@@H](CNCc1ccnn1C)NC(=O)C#CC(C)(C)C ZINC001268106534 1080077271 /nfs/dbraw/zinc/07/72/71/1080077271.db2.gz UZHHHVHSOCJHSZ-HNNXBMFYSA-N 0 3 318.465 2.090 20 30 DEEDHN C=C(C)[C@@H](CO)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001656469167 1080095977 /nfs/dbraw/zinc/09/59/77/1080095977.db2.gz DKYKCPAXJLEFCR-XOYHFGRZSA-N 0 3 310.438 2.445 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(C[C@@H](C)O)CC[C@@H]1c1ccccc1 ZINC001656662374 1080112069 /nfs/dbraw/zinc/11/20/69/1080112069.db2.gz SYOXQSPHKHRJCQ-KBAYOESNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(C[C@H](C)O)CC[C@@H]1c1ccccc1 ZINC001656662373 1080112525 /nfs/dbraw/zinc/11/25/25/1080112525.db2.gz SYOXQSPHKHRJCQ-CGTJXYLNSA-N 0 3 316.445 2.308 20 30 DEEDHN C#CCOCCC(=O)N1CCCCC[C@@H](NCC(=C)Cl)C1 ZINC001656890367 1080135078 /nfs/dbraw/zinc/13/50/78/1080135078.db2.gz YEKYPGFNKZHZCT-OAHLLOKOSA-N 0 3 312.841 2.140 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccc(F)cc2F)[C@H]1C ZINC001656957781 1080142037 /nfs/dbraw/zinc/14/20/37/1080142037.db2.gz WLCYZIVRICKVRI-RISCZKNCSA-N 0 3 310.344 2.109 20 30 DEEDHN C=CCCC(=O)NCC1CN(C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC001481614800 1080143974 /nfs/dbraw/zinc/14/39/74/1080143974.db2.gz ILCUFJSOZCIPRF-YJBOKZPZSA-N 0 3 316.445 2.165 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)N(C)CCn1cc(Cl)cn1 ZINC001485339809 1080153122 /nfs/dbraw/zinc/15/31/22/1080153122.db2.gz KHKYPOAHSLVKKH-AWEZNQCLSA-N 0 3 324.856 2.167 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN([C@@H](CC)C(N)=O)CC(C)(C)C1 ZINC001657102269 1080156533 /nfs/dbraw/zinc/15/65/33/1080156533.db2.gz QIHDDBUGNGBFQN-KBPBESRZSA-N 0 3 323.481 2.069 20 30 DEEDHN C=C(C)CN(C)[C@@H](C)CNC(=O)C(=O)Nc1c(C)cccc1C ZINC001485392165 1080191178 /nfs/dbraw/zinc/19/11/78/1080191178.db2.gz BUPJDVMVISVRMJ-HNNXBMFYSA-N 0 3 317.433 2.255 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](NCc1cncc(F)c1)C(C)C ZINC001268209829 1080196107 /nfs/dbraw/zinc/19/61/07/1080196107.db2.gz OOUGIQVNBXUBNE-MRXNPFEDSA-N 0 3 305.397 2.255 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@]2(F)CCOC2)CCCCC1 ZINC001485454633 1080217127 /nfs/dbraw/zinc/21/71/27/1080217127.db2.gz GGGTUBISRZCHKH-HNNXBMFYSA-N 0 3 318.820 2.276 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001268249556 1080230785 /nfs/dbraw/zinc/23/07/85/1080230785.db2.gz VWMOGODLKQVEFC-HNNXBMFYSA-N 0 3 304.409 2.418 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](CC)c1c(C)noc1C ZINC001268253500 1080233071 /nfs/dbraw/zinc/23/30/71/1080233071.db2.gz UFSKWABPBYONNC-HNNXBMFYSA-N 0 3 305.422 2.199 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2(C)CCOCC2)cc1 ZINC001272700026 1080248410 /nfs/dbraw/zinc/24/84/10/1080248410.db2.gz FXJQBWNTGDJHGC-HNNXBMFYSA-N 0 3 314.429 2.403 20 30 DEEDHN C[C@@H](NC(=O)CSCC#N)C1CN([C@H](C)c2ccccc2)C1 ZINC001485492148 1080251636 /nfs/dbraw/zinc/25/16/36/1080251636.db2.gz VYPGFIJCOGYBPY-ZIAGYGMSSA-N 0 3 317.458 2.441 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1cc(OC)no1 ZINC001268277499 1080255026 /nfs/dbraw/zinc/25/50/26/1080255026.db2.gz PJTGUKJSIDWBCO-HIFRSBDPSA-N 0 3 321.421 2.414 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOC1 ZINC001481668413 1080276126 /nfs/dbraw/zinc/27/61/26/1080276126.db2.gz UFPXPPMIAZLAND-ULQDDVLXSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001481672407 1080284734 /nfs/dbraw/zinc/28/47/34/1080284734.db2.gz QIZDSNLQLPLGPP-LNLFQRSKSA-N 0 3 318.461 2.489 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001485537896 1080285552 /nfs/dbraw/zinc/28/55/52/1080285552.db2.gz BCGRCLWMXNVIGM-QRWLVFNGSA-N 0 3 310.441 2.350 20 30 DEEDHN CCc1ccc(C(=O)NCCCN(C)CC#CCOC)s1 ZINC001660211754 1080288539 /nfs/dbraw/zinc/28/85/39/1080288539.db2.gz IGBCJCUAYDIAED-UHFFFAOYSA-N 0 3 308.447 2.012 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCOc2ccccc2C)C1 ZINC001485535504 1080289994 /nfs/dbraw/zinc/28/99/94/1080289994.db2.gz LUQYIIFKKPKLKT-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNCc1cc(C)ccc1F ZINC001268320821 1080325931 /nfs/dbraw/zinc/32/59/31/1080325931.db2.gz DBBVMEVXZHQLKH-YJBOKZPZSA-N 0 3 322.424 2.303 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccns1 ZINC001660433177 1080331410 /nfs/dbraw/zinc/33/14/10/1080331410.db2.gz SIMBILRDYXAPEW-DZGCQCFKSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@]3(C)CC=C(C)CC3)[C@@H]2C1 ZINC001485627608 1080339936 /nfs/dbraw/zinc/33/99/36/1080339936.db2.gz NXMNTQGBWVIVSS-BMFAXAFESA-N 0 3 300.446 2.440 20 30 DEEDHN CCN(CCCNC(=O)c1ccon1)Cc1ccc(C#N)s1 ZINC001660493664 1080344445 /nfs/dbraw/zinc/34/44/45/1080344445.db2.gz MSZAITOKALSHKP-UHFFFAOYSA-N 0 3 318.402 2.250 20 30 DEEDHN CC(C)C#CC(=O)NCCCN(CCc1ccns1)C1CC1 ZINC001660680672 1080379574 /nfs/dbraw/zinc/37/95/74/1080379574.db2.gz PLXIFHFUSQFKNN-UHFFFAOYSA-N 0 3 319.474 2.316 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001481737688 1080411420 /nfs/dbraw/zinc/41/14/20/1080411420.db2.gz AYJXHBXCBHVMBO-INIZCTEOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001485748532 1080414605 /nfs/dbraw/zinc/41/46/05/1080414605.db2.gz IQKDUNWGJPUYRB-QWHCGFSZSA-N 0 3 312.845 2.151 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001661049943 1080434903 /nfs/dbraw/zinc/43/49/03/1080434903.db2.gz WSAKGIAMSATBBS-SJLPKXTDSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccc(C)nn2)CC1 ZINC001661087452 1080440683 /nfs/dbraw/zinc/44/06/83/1080440683.db2.gz UMIKSAXJENVUJH-UHFFFAOYSA-N 0 3 314.433 2.125 20 30 DEEDHN Cc1ncc(CNC[C@@H](C2CC2)N(C)C(=O)C#CC2CC2)s1 ZINC001485809769 1080450145 /nfs/dbraw/zinc/45/01/45/1080450145.db2.gz YKKOZYJXFPWUFH-INIZCTEOSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c1C ZINC001661254361 1080464571 /nfs/dbraw/zinc/46/45/71/1080464571.db2.gz DSMOTPMVLVUPKJ-BNOWGMLFSA-N 0 3 318.421 2.067 20 30 DEEDHN C=CCCC(=O)N(CC)CCNCc1ccc2nonc2c1 ZINC001268440478 1080469590 /nfs/dbraw/zinc/46/95/90/1080469590.db2.gz HNFQHIQDYDMHTB-UHFFFAOYSA-N 0 3 302.378 2.127 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCc2ccns2)C1 ZINC001661456287 1080483999 /nfs/dbraw/zinc/48/39/99/1080483999.db2.gz UPYIZHCUSCIGSG-XEZPLFJOSA-N 0 3 323.462 2.109 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2nc3ccccc3n2C)C1 ZINC001661588786 1080496359 /nfs/dbraw/zinc/49/63/59/1080496359.db2.gz BIJKJEDTNYNYAE-GASCZTMLSA-N 0 3 324.428 2.114 20 30 DEEDHN CC[C@H](CNC(=O)c1cccnc1)NCc1ccc(C#N)s1 ZINC001481785175 1080496593 /nfs/dbraw/zinc/49/65/93/1080496593.db2.gz CQBDSYGHQJLVIV-CYBMUJFWSA-N 0 3 314.414 2.313 20 30 DEEDHN CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC001661728957 1080512871 /nfs/dbraw/zinc/51/28/71/1080512871.db2.gz WCTSVJUYBGHXMT-CQSZACIVSA-N 0 3 307.442 2.217 20 30 DEEDHN CCCCCCC[N@H+]1CCC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC001661728957 1080512880 /nfs/dbraw/zinc/51/28/80/1080512880.db2.gz WCTSVJUYBGHXMT-CQSZACIVSA-N 0 3 307.442 2.217 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001661814514 1080527283 /nfs/dbraw/zinc/52/72/83/1080527283.db2.gz OJCTZFOPVDDJMV-ZFWWWQNUSA-N 0 3 319.453 2.359 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCC(=O)NC1CCCCC1 ZINC001662346399 1080599902 /nfs/dbraw/zinc/59/99/02/1080599902.db2.gz XIZDPSLHJHWLHF-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1sccc1C(C)C ZINC001662424104 1080607953 /nfs/dbraw/zinc/60/79/53/1080607953.db2.gz JDVFWDUOZQJFHC-CYBMUJFWSA-N 0 3 308.447 2.229 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(CC)CC)C1 ZINC001662500075 1080612378 /nfs/dbraw/zinc/61/23/78/1080612378.db2.gz IQNLMQSBWQIRPF-ZBFHGGJFSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2ccn(CC)n2)C1 ZINC001662747300 1080647367 /nfs/dbraw/zinc/64/73/67/1080647367.db2.gz NUZUEBKYVZIDKN-LSDHHAIUSA-N 0 3 304.438 2.386 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnoc2C2CC2)C1 ZINC001662867345 1080669090 /nfs/dbraw/zinc/66/90/90/1080669090.db2.gz IDIWKKIVCYZJNV-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001662878650 1080671203 /nfs/dbraw/zinc/67/12/03/1080671203.db2.gz SRCUKJKLSLKZHR-MSOLQXFVSA-N 0 3 314.429 2.320 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(C)nn(CC)c2C)C1 ZINC001662868516 1080671296 /nfs/dbraw/zinc/67/12/96/1080671296.db2.gz XTVNZYNXCPRLGG-INIZCTEOSA-N 0 3 316.449 2.080 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)N[C@@H](C)c2cnccn2)cc1 ZINC001662955040 1080680231 /nfs/dbraw/zinc/68/02/31/1080680231.db2.gz WTIDTUUVFGHILW-GJZGRUSLSA-N 0 3 322.412 2.317 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cccc3[nH]cnc32)cc1 ZINC001482032918 1080714810 /nfs/dbraw/zinc/71/48/10/1080714810.db2.gz AJGYTMSPGBGDBR-UHFFFAOYSA-N 0 3 318.380 2.216 20 30 DEEDHN C=CCOCCCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107350899 1080741955 /nfs/dbraw/zinc/74/19/55/1080741955.db2.gz UAWYQJXOFASRSW-NVXWUHKLSA-N 0 3 312.429 2.300 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1ccnc(OC)c1 ZINC001482053897 1080754658 /nfs/dbraw/zinc/75/46/58/1080754658.db2.gz PLUISIDSGONURN-OAHLLOKOSA-N 0 3 303.406 2.137 20 30 DEEDHN O=C(CCCF)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001482061431 1080765982 /nfs/dbraw/zinc/76/59/82/1080765982.db2.gz DXBJZRAUOFSLHA-QGZVFWFLSA-N 0 3 302.393 2.368 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](CCC(C)C)NC(C)=O ZINC001663554109 1080775423 /nfs/dbraw/zinc/77/54/23/1080775423.db2.gz YZOMOSVYYLYBQO-IRXDYDNUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(C)cc(OC)c1C ZINC001663668054 1080801137 /nfs/dbraw/zinc/80/11/37/1080801137.db2.gz INEGVJUSVYHLSN-UHFFFAOYSA-N 0 3 302.418 2.387 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)c1cc(F)c[nH]1 ZINC001482122282 1080819277 /nfs/dbraw/zinc/81/92/77/1080819277.db2.gz BFHGOEISNMKZHR-GFCCVEGCSA-N 0 3 314.364 2.181 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)C#CC(C)(C)C ZINC001663923624 1080838027 /nfs/dbraw/zinc/83/80/27/1080838027.db2.gz FUJNBTJREJODSK-UHFFFAOYSA-N 0 3 315.392 2.295 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CN[C@H](C)c1nnc(C)[nH]1 ZINC001482147205 1080859252 /nfs/dbraw/zinc/85/92/52/1080859252.db2.gz XGBZWEDDERFDQW-VXGBXAGGSA-N 0 3 307.442 2.118 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1(C(F)F)CC1 ZINC001268645447 1080914983 /nfs/dbraw/zinc/91/49/83/1080914983.db2.gz DKNMZCCLVWRSJF-CYBMUJFWSA-N 0 3 306.356 2.178 20 30 DEEDHN C=CC1(CC(=O)N[C@H](C)CNCc2n[nH]c(C)n2)CCCCC1 ZINC001268665239 1080923488 /nfs/dbraw/zinc/92/34/88/1080923488.db2.gz UTPWWLQYLJXQJG-CYBMUJFWSA-N 0 3 319.453 2.234 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1cnn(CC)c1)c1ccccc1 ZINC001664599949 1080932317 /nfs/dbraw/zinc/93/23/17/1080932317.db2.gz WUUJPLFTIGDYLC-QGZVFWFLSA-N 0 3 312.417 2.079 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H]2CCCCO2)C1 ZINC001664661949 1080937955 /nfs/dbraw/zinc/93/79/55/1080937955.db2.gz JZLLXDKDSACKCW-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001268736971 1080959678 /nfs/dbraw/zinc/95/96/78/1080959678.db2.gz HTMXQEZRGBJWSP-TZMCWYRMSA-N 0 3 306.381 2.314 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC001268738955 1080961540 /nfs/dbraw/zinc/96/15/40/1080961540.db2.gz WIIQRKQETBKJQJ-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C[C@@H](F)CC)C2)cn1 ZINC001664849897 1080971884 /nfs/dbraw/zinc/97/18/84/1080971884.db2.gz VDYSPYDXCRKRAM-ZBFHGGJFSA-N 0 3 317.408 2.205 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(C)[C@@H](C)c2n[nH]c(C)n2)CC1 ZINC001664869076 1080973231 /nfs/dbraw/zinc/97/32/31/1080973231.db2.gz RLVPGGDZXDZNSW-ZDUSSCGKSA-N 0 3 319.453 2.311 20 30 DEEDHN C#CCCN1CC(CNC(=O)CO[C@@H]2CCCC[C@H]2CC)C1 ZINC001268828962 1081010926 /nfs/dbraw/zinc/01/09/26/1081010926.db2.gz RPQUUIGEIMRCQG-IAGOWNOFSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@H](C(=O)NCC1CN(CCC[C@H](C)O)C1)c1ccccc1 ZINC001665362721 1081017506 /nfs/dbraw/zinc/01/75/06/1081017506.db2.gz JWFJMOCINOSEMD-MAUKXSAKSA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1snnc1C ZINC001268864120 1081023930 /nfs/dbraw/zinc/02/39/30/1081023930.db2.gz APDHVILZRHCMKJ-UHFFFAOYSA-N 0 3 310.467 2.387 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001665405487 1081025486 /nfs/dbraw/zinc/02/54/86/1081025486.db2.gz ICKGNAKXCFMCSL-PVAVHDDUSA-N 0 3 316.449 2.165 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665616769 1081047193 /nfs/dbraw/zinc/04/71/93/1081047193.db2.gz IHOXEZQCPFSMMW-QGZVFWFLSA-N 0 3 302.418 2.230 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001268931323 1081050165 /nfs/dbraw/zinc/05/01/65/1081050165.db2.gz PNVAUJGUXHJOKO-LBPRGKRZSA-N 0 3 324.856 2.270 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)N[C@@H]1CCN(C(C)C)C1=O ZINC001665855754 1081090686 /nfs/dbraw/zinc/09/06/86/1081090686.db2.gz CXUJZYOUTSWYTM-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001269088055 1081113186 /nfs/dbraw/zinc/11/31/86/1081113186.db2.gz NULHDWMXXXVRFI-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC001666105050 1081123858 /nfs/dbraw/zinc/12/38/58/1081123858.db2.gz SPCHLEGMQJTUER-HIFRSBDPSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000710887579 1081161727 /nfs/dbraw/zinc/16/17/27/1081161727.db2.gz GPGRDUMMTPBEDW-GOEBONIOSA-N 0 3 308.447 2.002 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001666864729 1081187547 /nfs/dbraw/zinc/18/75/47/1081187547.db2.gz HNMCCRYCXNIWMR-LBPRGKRZSA-N 0 3 312.360 2.104 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001269266508 1081190412 /nfs/dbraw/zinc/19/04/12/1081190412.db2.gz DHCKQNDZSOGLFN-DOMZBBRYSA-N 0 3 304.438 2.196 20 30 DEEDHN Cc1ncc(CNC[C@@H](CC(C)C)NC(=O)C#CC2CC2)s1 ZINC001667086265 1081209824 /nfs/dbraw/zinc/20/98/24/1081209824.db2.gz IJCLLSJAMULXPV-OAHLLOKOSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001269337926 1081219055 /nfs/dbraw/zinc/21/90/55/1081219055.db2.gz NNIHRNVZPIZICB-AWEZNQCLSA-N 0 3 315.421 2.213 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC001667175232 1081220621 /nfs/dbraw/zinc/22/06/21/1081220621.db2.gz GEPVJBCWQNHOII-WMLDXEAASA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2nc(C)cs2)C1 ZINC001269339970 1081221168 /nfs/dbraw/zinc/22/11/68/1081221168.db2.gz VDBHLRGTBOXVSK-CQSZACIVSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCOC2CCOCC2)C1 ZINC001269347978 1081222889 /nfs/dbraw/zinc/22/28/89/1081222889.db2.gz GSOWWZQTEQXLGF-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1c(C)cc(C)nc1C ZINC001667600519 1081266935 /nfs/dbraw/zinc/26/69/35/1081266935.db2.gz ODVMMOFWWQIXAH-UHFFFAOYSA-N 0 3 319.449 2.213 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1nc(Cl)cs1 ZINC001667615313 1081268307 /nfs/dbraw/zinc/26/83/07/1081268307.db2.gz PSENTRIBRXDTNW-UHFFFAOYSA-N 0 3 317.842 2.003 20 30 DEEDHN CC#CCN(C)CCN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001667630744 1081268850 /nfs/dbraw/zinc/26/88/50/1081268850.db2.gz ALLILTSTPHLLCI-UHFFFAOYSA-N 0 3 310.401 2.104 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(-c3ccccc3)nc2)CC1 ZINC001269508521 1081271327 /nfs/dbraw/zinc/27/13/27/1081271327.db2.gz KJWNTFLDLXVEMJ-UHFFFAOYSA-N 0 3 305.381 2.234 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001269589275 1081298824 /nfs/dbraw/zinc/29/88/24/1081298824.db2.gz BSUNRHYCARZUQO-CVEARBPZSA-N 0 3 317.433 2.205 20 30 DEEDHN C[C@@H]1CCCC[C@@]1(CNCCF)NC(=O)c1c[nH]c(C#N)c1 ZINC001269666812 1081324697 /nfs/dbraw/zinc/32/46/97/1081324697.db2.gz YWDSUNPQBGBDKD-WBMJQRKESA-N 0 3 306.385 2.124 20 30 DEEDHN CCc1ccc(F)cc1C(=O)N(CC)CCNCC#CCOC ZINC001668482721 1081359518 /nfs/dbraw/zinc/35/95/18/1081359518.db2.gz FGKRGHIPTNODBC-UHFFFAOYSA-N 0 3 320.408 2.090 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001668549323 1081366045 /nfs/dbraw/zinc/36/60/45/1081366045.db2.gz DSXIFOVOIUWQRC-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1cccc(C[NH2+]C/C=C\CNC(=O)c2ccccc2[O-])c1 ZINC001668713471 1081385221 /nfs/dbraw/zinc/38/52/21/1081385221.db2.gz VDDKHJDHHNSHAT-ARJAWSKDSA-N 0 3 321.380 2.340 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2cncc(F)c2)cc1 ZINC001668775275 1081394399 /nfs/dbraw/zinc/39/43/99/1081394399.db2.gz UOJJUTQKFJELFL-UPHRSURJSA-N 0 3 324.359 2.168 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001668797690 1081398077 /nfs/dbraw/zinc/39/80/77/1081398077.db2.gz GLDOEADYSRJDQJ-CHYADLBTSA-N 0 3 324.371 2.054 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C/CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001668848707 1081403496 /nfs/dbraw/zinc/40/34/96/1081403496.db2.gz YPEOMTKULSFJBV-LFAOLKIESA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1nc2ccccc2cc1C ZINC001668941534 1081411093 /nfs/dbraw/zinc/41/10/93/1081411093.db2.gz CNYBXZXASUVGTI-FPLPWBNLSA-N 0 3 307.397 2.442 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)Cc1ccccc1F ZINC001669039100 1081421811 /nfs/dbraw/zinc/42/18/11/1081421811.db2.gz JQQNZHMKXWSDAD-MVGZEHJDSA-N 0 3 302.393 2.290 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1sc(C(C)C)nc1C ZINC001669184146 1081436511 /nfs/dbraw/zinc/43/65/11/1081436511.db2.gz VFYIXXXYXLDFBQ-BQYQJAHWSA-N 0 3 305.447 2.474 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@H](C)c2n[nH]c(C)n2)CCCC1 ZINC001669490184 1081453683 /nfs/dbraw/zinc/45/36/83/1081453683.db2.gz WFHWZYKNAVQBGN-CHWSQXEVSA-N 0 3 319.453 2.405 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccc(Cl)[nH]1 ZINC001669661298 1081461862 /nfs/dbraw/zinc/46/18/62/1081461862.db2.gz AHUFPSHCQQBDLA-ZDUSSCGKSA-N 0 3 315.804 2.428 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001270225971 1081478863 /nfs/dbraw/zinc/47/88/63/1081478863.db2.gz RQCUVIZOXHVUIG-CQSZACIVSA-N 0 3 322.371 2.237 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)COc2ccccc2)CC1 ZINC001270260811 1081488960 /nfs/dbraw/zinc/48/89/60/1081488960.db2.gz IDUNEPAGCPWQSC-UHFFFAOYSA-N 0 3 300.402 2.059 20 30 DEEDHN C=CCCC(=O)N(C)CCCNCc1cc2n(n1)CCCC2 ZINC001670037964 1081491697 /nfs/dbraw/zinc/49/16/97/1081491697.db2.gz FZDHZURUDIEKAV-UHFFFAOYSA-N 0 3 304.438 2.124 20 30 DEEDHN C#CCCCC(=O)N(C)CCCN[C@@H](C)c1cnc(C)cn1 ZINC001670076332 1081495011 /nfs/dbraw/zinc/49/50/11/1081495011.db2.gz VRYNBOBZBFZNDG-HNNXBMFYSA-N 0 3 302.422 2.088 20 30 DEEDHN C#CCN(C(=O)CC(C)(C)COC)C1CCN(CC=C)CC1 ZINC001270332328 1081503400 /nfs/dbraw/zinc/50/34/00/1081503400.db2.gz XJYSVDDQXOBTGP-UHFFFAOYSA-N 0 3 306.450 2.161 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1(C)CC1 ZINC001482288260 1081522493 /nfs/dbraw/zinc/52/24/93/1081522493.db2.gz JAVYBCHVEHBAKQ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCOCC(C)C)C2 ZINC001671593695 1081525388 /nfs/dbraw/zinc/52/53/88/1081525388.db2.gz MNZOMUGUHDGRRQ-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)COC)C2 ZINC001671599626 1081525491 /nfs/dbraw/zinc/52/54/91/1081525491.db2.gz ZIFGQNXZFPNSDM-IEBWSBKVSA-N 0 3 320.477 2.387 20 30 DEEDHN CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H](C1)O2 ZINC001270500696 1081538248 /nfs/dbraw/zinc/53/82/48/1081538248.db2.gz BWMHCCBXOFNBRP-TWMKSMIVSA-N 0 3 321.465 2.274 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COCc2ccc(C)cc2)C1 ZINC001270589978 1081558701 /nfs/dbraw/zinc/55/87/01/1081558701.db2.gz MDYHCQRFYFASKU-LJQANCHMSA-N 0 3 314.429 2.116 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2nc(C)sc2C)C1 ZINC001270599607 1081559193 /nfs/dbraw/zinc/55/91/93/1081559193.db2.gz JTKQXPNMWBDTDA-MRXNPFEDSA-N 0 3 307.463 2.459 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cc(C)c(C)cn2)C1 ZINC001270606355 1081562013 /nfs/dbraw/zinc/56/20/13/1081562013.db2.gz BQOCVJGMDDHPOI-SFHVURJKSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001672208792 1081567199 /nfs/dbraw/zinc/56/71/99/1081567199.db2.gz HXEFQKWQQBBFTL-JSGCOSHPSA-N 0 3 319.453 2.042 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001270624405 1081569844 /nfs/dbraw/zinc/56/98/44/1081569844.db2.gz PLWWFWPHPIRKCZ-DQPZFDDXSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccn(C)c1CC ZINC001672396687 1081591843 /nfs/dbraw/zinc/59/18/43/1081591843.db2.gz OZFXTHOVRDHBCC-UHFFFAOYSA-N 0 3 323.440 2.453 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001672498823 1081604588 /nfs/dbraw/zinc/60/45/88/1081604588.db2.gz BUUBXHFKZMGECJ-FUHWJXTLSA-N 0 3 320.408 2.216 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC001672834078 1081710337 /nfs/dbraw/zinc/71/03/37/1081710337.db2.gz IEEBPASPXBPUSP-DZGCQCFKSA-N 0 3 314.857 2.382 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C)nn2)cc1 ZINC001672936718 1081724354 /nfs/dbraw/zinc/72/43/54/1081724354.db2.gz DCEVMWOVFGHKDB-HNNXBMFYSA-N 0 3 322.412 2.389 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2ccnc(OC)c2)CCC1 ZINC001673160122 1081743100 /nfs/dbraw/zinc/74/31/00/1081743100.db2.gz CMUMNQRJHGAPAE-UHFFFAOYSA-N 0 3 315.417 2.022 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H](C)C2CCCCC2)CCO1 ZINC001673321229 1081755300 /nfs/dbraw/zinc/75/53/00/1081755300.db2.gz AKHDMUCQSFLMGD-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001673391661 1081766197 /nfs/dbraw/zinc/76/61/97/1081766197.db2.gz SDZMRLKKKVCMEB-JDZKTDJGSA-N 0 3 304.434 2.129 20 30 DEEDHN Cc1ncc(CNC[C@@H](CC(C)C)NC(=O)C#CC(C)C)cn1 ZINC001482384550 1081781989 /nfs/dbraw/zinc/78/19/89/1081781989.db2.gz SPYALOSJBNDYSK-QGZVFWFLSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CCC)OCC)C2 ZINC001673650848 1081788909 /nfs/dbraw/zinc/78/89/09/1081788909.db2.gz NLRDLHAMVNDXJV-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN Cc1csc(CN[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001482420303 1081810222 /nfs/dbraw/zinc/81/02/22/1081810222.db2.gz BNLMSHLHQPKSNV-UKRRQHHQSA-N 0 3 319.474 2.438 20 30 DEEDHN Cc1c[nH]cc1C(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001673928087 1081815286 /nfs/dbraw/zinc/81/52/86/1081815286.db2.gz ATUHBQLOYCTOGI-LPHOPBHVSA-N 0 3 321.424 2.425 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC[C@@H]2CCOC2)C(C)(C)C1 ZINC001674011827 1081823158 /nfs/dbraw/zinc/82/31/58/1081823158.db2.gz DHUZOMLVGJCUCV-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCCCC(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC001674047553 1081831374 /nfs/dbraw/zinc/83/13/74/1081831374.db2.gz PIBRUGPHNLIYIU-UHFFFAOYSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001329503868 1148904150 /nfs/dbraw/zinc/90/41/50/1148904150.db2.gz VKVZZMZIJDYADF-WCXIOVBPSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2csc(C)n2)C[C@H]1C ZINC001674148293 1081847002 /nfs/dbraw/zinc/84/70/02/1081847002.db2.gz VFBPCGBSNJQERQ-UKRRQHHQSA-N 0 3 319.474 2.377 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncc(C)c1 ZINC001674419829 1081868932 /nfs/dbraw/zinc/86/89/32/1081868932.db2.gz IIYSZGZCYFFPLK-RTBURBONSA-N 0 3 319.408 2.399 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1CC2(C1)CCOCC2 ZINC001674491185 1081879752 /nfs/dbraw/zinc/87/97/52/1081879752.db2.gz MHKUTPUHKADUPG-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN COCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001674633314 1081896472 /nfs/dbraw/zinc/89/64/72/1081896472.db2.gz KDNPCBDZZYWOMM-NEPJUHHUSA-N 0 3 309.435 2.029 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CCNCc1cnnn1C ZINC001482455534 1081903525 /nfs/dbraw/zinc/90/35/25/1081903525.db2.gz MRMDSYWZMVAGBW-OAHLLOKOSA-N 0 3 319.453 2.032 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(C[C@H](C)O)CCC1(F)F ZINC001271091794 1081904610 /nfs/dbraw/zinc/90/46/10/1081904610.db2.gz CNGUUHFOROFLTJ-QWHCGFSZSA-N 0 3 318.408 2.043 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)CCNC(=O)C#CC(C)C)c1 ZINC001480861754 1081923973 /nfs/dbraw/zinc/92/39/73/1081923973.db2.gz ALOQMASESUFSEM-UHFFFAOYSA-N 0 3 316.445 2.390 20 30 DEEDHN CO[C@H](CN(C)CCNC(=O)C#CC(C)(C)C)C1CCCC1 ZINC001480862556 1081925020 /nfs/dbraw/zinc/92/50/20/1081925020.db2.gz VIRDYHXUBUVQBH-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001266327889 1081975388 /nfs/dbraw/zinc/97/53/88/1081975388.db2.gz NSBAMSQZSJNXRQ-WFASDCNBSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001271208297 1081990549 /nfs/dbraw/zinc/99/05/49/1081990549.db2.gz IRCBDZNSOUSCOZ-BQFCYCMXSA-N 0 3 308.466 2.332 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](C)OCc1ccccc1 ZINC001266482393 1082067558 /nfs/dbraw/zinc/06/75/58/1082067558.db2.gz AVFWRBOXLHSWFU-AEFFLSMTSA-N 0 3 314.429 2.196 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](CNCc2csnc2OC)C1 ZINC001271582259 1082086518 /nfs/dbraw/zinc/08/65/18/1082086518.db2.gz KCXBIWALFZFQEH-OLZOCXBDSA-N 0 3 323.462 2.302 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccnn1C ZINC001271727132 1082123743 /nfs/dbraw/zinc/12/37/43/1082123743.db2.gz GLZOTXLDXFTPSF-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1nc(C)oc1C ZINC001271819925 1082163458 /nfs/dbraw/zinc/16/34/58/1082163458.db2.gz WWJZOFADSYGONG-UHFFFAOYSA-N 0 3 311.385 2.157 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C/C=C\c3ccc(C)cc3)C[C@@H]2C1 ZINC001271898854 1082185828 /nfs/dbraw/zinc/18/58/28/1082185828.db2.gz YQXLMKIRALBFJU-SNHAVAMSSA-N 0 3 308.425 2.422 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001670646267 1082203458 /nfs/dbraw/zinc/20/34/58/1082203458.db2.gz QQOGIKIHUNMQPU-DLBZAZTESA-N 0 3 308.466 2.474 20 30 DEEDHN C[C@H](c1ccccc1)N(C)CCN(C)C(=O)CSCC#N ZINC001271963708 1082210181 /nfs/dbraw/zinc/21/01/81/1082210181.db2.gz WZOJNWFYUNCJPN-CQSZACIVSA-N 0 3 305.447 2.395 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001670692510 1082218685 /nfs/dbraw/zinc/21/86/85/1082218685.db2.gz UCNZPUVVRJWIJG-ZIAGYGMSSA-N 0 3 319.453 2.192 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1nn(C)c2ccccc21)C1CC1 ZINC001266617797 1082220972 /nfs/dbraw/zinc/22/09/72/1082220972.db2.gz XPOCEZQHIFUIRC-UHFFFAOYSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2ccccc2Cl)C1 ZINC001271988945 1082221937 /nfs/dbraw/zinc/22/19/37/1082221937.db2.gz ZQBQBTMJLKDQGI-QGZVFWFLSA-N 0 3 322.836 2.473 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001670729558 1082276278 /nfs/dbraw/zinc/27/62/78/1082276278.db2.gz LFBCJTYSUWENKK-GOSISDBHSA-N 0 3 315.461 2.275 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1csc(CC)n1 ZINC001670729159 1082277288 /nfs/dbraw/zinc/27/72/88/1082277288.db2.gz HQTIWGHGYUQMHQ-CQSZACIVSA-N 0 3 307.463 2.405 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001482592316 1082317261 /nfs/dbraw/zinc/31/72/61/1082317261.db2.gz VYGAZXLONUGBCQ-SFHVURJKSA-N 0 3 322.424 2.373 20 30 DEEDHN CC(C)SCC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001493482043 1082371068 /nfs/dbraw/zinc/37/10/68/1082371068.db2.gz JRFZXWJISPJQHK-UHFFFAOYSA-N 0 3 323.437 2.387 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001482618188 1082410070 /nfs/dbraw/zinc/41/00/70/1082410070.db2.gz ITJPKVSCGLHQQK-UHFFFAOYSA-N 0 3 321.446 2.436 20 30 DEEDHN Cc1cnc(CNC[C@H]2CCC[C@@H]2NC(=O)C#CC2CC2)s1 ZINC001482679512 1082470286 /nfs/dbraw/zinc/47/02/86/1082470286.db2.gz XYUHCZZJPRYRKB-CABCVRRESA-N 0 3 317.458 2.239 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001266959795 1082476236 /nfs/dbraw/zinc/47/62/36/1082476236.db2.gz XAWCOQGECCORLI-HOTGVXAUSA-N 0 3 302.418 2.018 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2nccnc2c1 ZINC001482895216 1082550047 /nfs/dbraw/zinc/55/00/47/1082550047.db2.gz IYUBPNPNQATMTL-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1cc(C)on1 ZINC001482910017 1082552563 /nfs/dbraw/zinc/55/25/63/1082552563.db2.gz UNYMBSCVPLALNV-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CCCC[C@@H]1n1cccn1 ZINC001482929613 1082566249 /nfs/dbraw/zinc/56/62/49/1082566249.db2.gz CENXSRPZNWVZLH-SJORKVTESA-N 0 3 316.449 2.076 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H](CCC)c1ccccn1 ZINC001482947830 1082572996 /nfs/dbraw/zinc/57/29/96/1082572996.db2.gz QGHPCDGHTQWXBR-INIZCTEOSA-N 0 3 301.434 2.427 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)n1cnc2ccccc21 ZINC001272145427 1082605038 /nfs/dbraw/zinc/60/50/38/1082605038.db2.gz NEULXIAYUOWSQF-HNNXBMFYSA-N 0 3 312.417 2.011 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1sc(C2CC2)nc1C ZINC001483011157 1082622949 /nfs/dbraw/zinc/62/29/49/1082622949.db2.gz OVAMACZSSFLCPH-WAYWQWQTSA-N 0 3 303.431 2.228 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001496844183 1082785096 /nfs/dbraw/zinc/78/50/96/1082785096.db2.gz RJLILYQXTCNHRE-OAHLLOKOSA-N 0 3 304.409 2.418 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001483255985 1083059239 /nfs/dbraw/zinc/05/92/39/1083059239.db2.gz SEEAZBXCULWQSB-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN O=C(C#CC1CC1)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107397912 1083373297 /nfs/dbraw/zinc/37/32/97/1083373297.db2.gz BPUMHZYTAFRNSY-UYAOXDASSA-N 0 3 323.440 2.356 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCCOC ZINC001152071130 1083397312 /nfs/dbraw/zinc/39/73/12/1083397312.db2.gz BBIDIXUAOVFVEY-OAHLLOKOSA-N 0 3 317.433 2.311 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001276596321 1083508031 /nfs/dbraw/zinc/50/80/31/1083508031.db2.gz YEWVLTMMUBXYAA-FZMZJTMJSA-N 0 3 305.426 2.015 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CCc2c(C)noc2C)C(C)(C)C1 ZINC001276623929 1083519971 /nfs/dbraw/zinc/51/99/71/1083519971.db2.gz GUCBXBATKDVEFH-MRXNPFEDSA-N 0 3 317.433 2.074 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107735314 1083649993 /nfs/dbraw/zinc/64/99/93/1083649993.db2.gz WIXCGIWSZKPEAU-YOEHRIQHSA-N 0 3 305.422 2.190 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc(C)c(OC)c1 ZINC001276884576 1083662740 /nfs/dbraw/zinc/66/27/40/1083662740.db2.gz UEWDDUBRZXBPAO-MRXNPFEDSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H](CNCc2cccc(F)c2F)C1 ZINC001276947340 1083693707 /nfs/dbraw/zinc/69/37/07/1083693707.db2.gz RGXIKFZSPALTPY-MQMHXKEQSA-N 0 3 324.371 2.152 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001276957515 1083698560 /nfs/dbraw/zinc/69/85/60/1083698560.db2.gz UMFBAFMOIWKJMG-RYUDHWBXSA-N 0 3 310.829 2.232 20 30 DEEDHN N#Cc1cccc(N2CCCC3(CN(CCn4ccnc4)C3)C2)c1 ZINC001276954277 1083700677 /nfs/dbraw/zinc/70/06/77/1083700677.db2.gz XMXBZRCYOBLZPZ-UHFFFAOYSA-N 0 3 321.428 2.357 20 30 DEEDHN C=CCCCCCN1CC2(C[C@@H]2C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001277150886 1083810862 /nfs/dbraw/zinc/81/08/62/1083810862.db2.gz AYRWHXVHGWYONF-MRXNPFEDSA-N 0 3 318.461 2.038 20 30 DEEDHN C=CCCCCCN1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277152611 1083812460 /nfs/dbraw/zinc/81/24/60/1083812460.db2.gz RRTYHJNDTAZZDI-INIZCTEOSA-N 0 3 301.434 2.427 20 30 DEEDHN C=CCCCCCCN1C[C@@H]2C(C(=O)N3CC=CC3)=NO[C@@H]2C1 ZINC001277159359 1083818582 /nfs/dbraw/zinc/81/85/82/1083818582.db2.gz DSXXTNDJSHPXPO-JKSUJKDBSA-N 0 3 317.433 2.208 20 30 DEEDHN CCCCCCCCCN1CCn2c(nnc2C(N)=O)C[C@@H]1C ZINC001277232838 1083858892 /nfs/dbraw/zinc/85/88/92/1083858892.db2.gz BRZULKGHHOSBTA-AWEZNQCLSA-N 0 3 321.469 2.374 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001277359874 1083926522 /nfs/dbraw/zinc/92/65/22/1083926522.db2.gz KPBOCVPQIYRDFS-CVEARBPZSA-N 0 3 318.417 2.090 20 30 DEEDHN COc1ccc(F)cc1CN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001074568030 1083931055 /nfs/dbraw/zinc/93/10/55/1083931055.db2.gz GXSDWSIIHGUTAB-XUJVJEKNSA-N 0 3 319.380 2.073 20 30 DEEDHN Cc1ccccc1CN1CC2(C[C@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001277470663 1083991404 /nfs/dbraw/zinc/99/14/04/1083991404.db2.gz UKKCJVBIIIPPSX-INIZCTEOSA-N 0 3 309.413 2.379 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001490997283 1083996716 /nfs/dbraw/zinc/99/67/16/1083996716.db2.gz JZMROLDYFDCOAL-BMFZPTHFSA-N 0 3 302.443 2.026 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnc(C)n3C)CC2)C1=O ZINC001272771381 1084001016 /nfs/dbraw/zinc/00/10/16/1084001016.db2.gz HTSVVSVFUUAXTI-SFHVURJKSA-N 0 3 316.449 2.119 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1c(C)noc1CC ZINC001495554435 1084033481 /nfs/dbraw/zinc/03/34/81/1084033481.db2.gz KNTOPPZAPDCWOP-OAHLLOKOSA-N 0 3 317.433 2.430 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cnc(Cl)cc3C)C2)C1=O ZINC001272779476 1084042385 /nfs/dbraw/zinc/04/23/85/1084042385.db2.gz LKSRRTZNGPYWGV-QGZVFWFLSA-N 0 3 317.820 2.101 20 30 DEEDHN C=CCCC[NH2+]CC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001272800045 1084074425 /nfs/dbraw/zinc/07/44/25/1084074425.db2.gz CZBFVHUSVDXGAW-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)COCCCC)C1 ZINC001670923703 1084149022 /nfs/dbraw/zinc/14/90/22/1084149022.db2.gz OIEWXDKKFYBWKV-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001277880359 1084202483 /nfs/dbraw/zinc/20/24/83/1084202483.db2.gz PPFNPUAMCUQBRY-WBMJQRKESA-N 0 3 320.820 2.103 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@@H](C)C2CC2)CC2(CCOCC2)C1 ZINC001089932017 1084208267 /nfs/dbraw/zinc/20/82/67/1084208267.db2.gz AFRFMDXLAMZRID-GOEBONIOSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001077846330 1084281461 /nfs/dbraw/zinc/28/14/61/1084281461.db2.gz LMKCQYAFYNDALD-KBRIMQKVSA-N 0 3 320.433 2.127 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1cscc1C(F)F ZINC001491456865 1084325705 /nfs/dbraw/zinc/32/57/05/1084325705.db2.gz KQFHCLPXSPBSSJ-JTQLQIEISA-N 0 3 316.373 2.043 20 30 DEEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CCCOCC ZINC001235376459 1084412798 /nfs/dbraw/zinc/41/27/98/1084412798.db2.gz NZXNLLPISVJJRY-INIZCTEOSA-N 0 3 319.449 2.247 20 30 DEEDHN COC1(CC(=O)N2CC3(C2)CCCN(CCCC#N)C3)CCC1 ZINC001277941933 1084414494 /nfs/dbraw/zinc/41/44/94/1084414494.db2.gz XXWLKHLMMACDQD-UHFFFAOYSA-N 0 3 319.449 2.174 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CC23CC3)CC2(CCOCC2)C1 ZINC001089957244 1084433239 /nfs/dbraw/zinc/43/32/39/1084433239.db2.gz KCTYRQGXLQUNPJ-HZPDHXFCSA-N 0 3 318.461 2.350 20 30 DEEDHN C=CC1(CC(=O)N(C)C[C@@H](C)NCC(=O)NCC)CCCCC1 ZINC001277962241 1084500972 /nfs/dbraw/zinc/50/09/72/1084500972.db2.gz DYLMTFXVWKMGEW-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN O=C(Cc1ccco1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001277964744 1084511492 /nfs/dbraw/zinc/51/14/92/1084511492.db2.gz HGMSUXAINFFCCW-GOSISDBHSA-N 0 3 322.408 2.454 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001078065830 1084520649 /nfs/dbraw/zinc/52/06/49/1084520649.db2.gz VCKNENHSAYELJH-IAGOWNOFSA-N 0 3 302.418 2.161 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001078075545 1084523268 /nfs/dbraw/zinc/52/32/68/1084523268.db2.gz TYZBUAZITJHEKD-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCCC1(C(=O)NCC[C@H](C)NC(=O)CN(CC)CC)CC1 ZINC001078217872 1084593587 /nfs/dbraw/zinc/59/35/87/1084593587.db2.gz MJKBEDJNWJGZLF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001078293612 1084637605 /nfs/dbraw/zinc/63/76/05/1084637605.db2.gz GHNQVLOCYMATHN-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)CCC[C@H](C)CCC)C1=O ZINC001128151913 1084648098 /nfs/dbraw/zinc/64/80/98/1084648098.db2.gz CJSGQNMYHHLAJD-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cccn2C)C12CCC2 ZINC001078559661 1084746242 /nfs/dbraw/zinc/74/62/42/1084746242.db2.gz ZZVVGAXFBIUINE-KGLIPLIRSA-N 0 3 307.825 2.408 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ncoc2C)C12CCC2 ZINC001078573703 1084752257 /nfs/dbraw/zinc/75/22/57/1084752257.db2.gz MVXTVWQINNETEK-NEPJUHHUSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)Cc2cc(C)[nH]n2)C12CCC2 ZINC001078594219 1084755337 /nfs/dbraw/zinc/75/53/37/1084755337.db2.gz OWFUDTIDBOEDOY-KGLIPLIRSA-N 0 3 322.840 2.030 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)Cc2cc(C)n[nH]2)C12CCC2 ZINC001078594219 1084755341 /nfs/dbraw/zinc/75/53/41/1084755341.db2.gz OWFUDTIDBOEDOY-KGLIPLIRSA-N 0 3 322.840 2.030 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(-c2cnco2)cc1 ZINC001485890771 1084965167 /nfs/dbraw/zinc/96/51/67/1084965167.db2.gz NJZGTVXZPXROCJ-AWEZNQCLSA-N 0 3 311.385 2.415 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001485901972 1084970174 /nfs/dbraw/zinc/97/01/74/1084970174.db2.gz PBHAKWVVAIQUEF-SUMWQHHRSA-N 0 3 302.393 2.315 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2ncccc2C)cn1 ZINC001485948416 1084995043 /nfs/dbraw/zinc/99/50/43/1084995043.db2.gz WZLJYYXKRPQGIX-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](c1cccnc1)C(C)C ZINC001485939453 1085007110 /nfs/dbraw/zinc/00/71/10/1085007110.db2.gz ZXPUWGFSRCDQSA-DOTOQJQBSA-N 0 3 301.434 2.281 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 ZINC001272940129 1085057408 /nfs/dbraw/zinc/05/74/08/1085057408.db2.gz KOMOSANNGPDGOM-HUUCEWRRSA-N 0 3 314.385 2.167 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)c(F)c2)C1 ZINC001486113507 1085072453 /nfs/dbraw/zinc/07/24/53/1085072453.db2.gz DHHYRGJDWCTMFW-JSGCOSHPSA-N 0 3 304.365 2.050 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)COc2c(C)cccc2C)C1 ZINC001486131074 1085080412 /nfs/dbraw/zinc/08/04/12/1085080412.db2.gz WGVYLQGBFLWFHG-SJORKVTESA-N 0 3 314.429 2.285 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001486195418 1085123150 /nfs/dbraw/zinc/12/31/50/1085123150.db2.gz MGVKHTTYDGQJFI-RACGTCIUSA-N 0 3 321.248 2.383 20 30 DEEDHN CCCC[C@H](C)C(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001486231953 1085140163 /nfs/dbraw/zinc/14/01/63/1085140163.db2.gz RJNVIUWMPJKOSR-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N(C)C1CCC(NCC#N)CC1 ZINC000964015306 1085147664 /nfs/dbraw/zinc/14/76/64/1085147664.db2.gz MPJXSCGXTGGLFD-JCYILVPMSA-N 0 3 320.481 2.132 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)C[C@H]2CC=CCC2)CC1(C)C ZINC001486241084 1085159941 /nfs/dbraw/zinc/15/99/41/1085159941.db2.gz QQLKVLPXYWVIBT-DLBZAZTESA-N 0 3 318.461 2.209 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C)nn1 ZINC000960261781 1085171222 /nfs/dbraw/zinc/17/12/22/1085171222.db2.gz KHEDLPRDPIAOKA-QZTJIDSGSA-N 0 3 322.412 2.347 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)c1cncnc1 ZINC000960297380 1085185978 /nfs/dbraw/zinc/18/59/78/1085185978.db2.gz VHEZQQBFDGLSSU-MORSLUCNSA-N 0 3 322.412 2.138 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](O)CN(C)Cc1cc(F)ccc1C ZINC001486328961 1085203366 /nfs/dbraw/zinc/20/33/66/1085203366.db2.gz RBWUBKPLBBMBMH-QGZVFWFLSA-N 0 3 322.424 2.351 20 30 DEEDHN CC(C)N(CCN(C)C[C@@H]1CC[C@H](C)O1)C(=O)C#CC1CC1 ZINC001486368559 1085237151 /nfs/dbraw/zinc/23/71/51/1085237151.db2.gz SBOJQELJUJTJKL-RDJZCZTQSA-N 0 3 306.450 2.136 20 30 DEEDHN C#CCCN(C)CCN(C(=O)C1(c2cc(C)no2)CC1)C(C)C ZINC001486374219 1085245145 /nfs/dbraw/zinc/24/51/45/1085245145.db2.gz QNOQOVVAKCXDCW-UHFFFAOYSA-N 0 3 317.433 2.207 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc2c([nH]1)CCC2)C(C)C ZINC001486379411 1085255659 /nfs/dbraw/zinc/25/56/59/1085255659.db2.gz ZUVGIKDIYUTFNZ-UHFFFAOYSA-N 0 3 301.434 2.309 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000960442994 1085287086 /nfs/dbraw/zinc/28/70/86/1085287086.db2.gz IHRXUVYMHYQCLT-QGZVFWFLSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(NCc2cncs2)C1 ZINC001486460378 1085331209 /nfs/dbraw/zinc/33/12/09/1085331209.db2.gz SVURAXZTVQLVJF-UHFFFAOYSA-N 0 3 305.447 2.416 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001486511618 1085395628 /nfs/dbraw/zinc/39/56/28/1085395628.db2.gz UZTZHBJMSYQBGA-IAGOWNOFSA-N 0 3 304.434 2.268 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1oncc1C)C2 ZINC000965697906 1085632033 /nfs/dbraw/zinc/63/20/33/1085632033.db2.gz MJOZMAVNMSTBSI-UHFFFAOYSA-N 0 3 309.797 2.366 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC001128252457 1085642065 /nfs/dbraw/zinc/64/20/65/1085642065.db2.gz KKEYLHCRZVYOMN-GASCZTMLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000965922003 1085694186 /nfs/dbraw/zinc/69/41/86/1085694186.db2.gz RZHVPSWCAMFEMT-STQMWFEESA-N 0 3 307.394 2.090 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(CC2CC2)s1 ZINC000961357731 1085703373 /nfs/dbraw/zinc/70/33/73/1085703373.db2.gz LCHLYFIKBGEYPM-VIKVFOODSA-N 0 3 317.458 2.332 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000961411413 1085722843 /nfs/dbraw/zinc/72/28/43/1085722843.db2.gz LMJYEHVJWRRQFA-VROVMSAKSA-N 0 3 300.189 2.168 20 30 DEEDHN CC(C)(F)C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000961482188 1085750972 /nfs/dbraw/zinc/75/09/72/1085750972.db2.gz VLQIDCWVOWZPNH-UHFFFAOYSA-N 0 3 303.381 2.291 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(C)cnc3Cl)C2)C1=O ZINC001272974029 1085751087 /nfs/dbraw/zinc/75/10/87/1085751087.db2.gz LOOKSOLHJQMEQP-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCc2cccnc21 ZINC001272987181 1085798006 /nfs/dbraw/zinc/79/80/06/1085798006.db2.gz YFJLMLFDGIMUCT-OCCSQVGLSA-N 0 3 307.825 2.348 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(F)c1C)CC2 ZINC001273006113 1085886465 /nfs/dbraw/zinc/88/64/65/1085886465.db2.gz OVNNGESFQAWWNN-INIZCTEOSA-N 0 3 314.404 2.486 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1noc2c1CCCCC2 ZINC000961925610 1085911330 /nfs/dbraw/zinc/91/13/30/1085911330.db2.gz YOEKKYDWRQBWNO-FOLVSLTJSA-N 0 3 315.417 2.180 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CCCC)c1CC ZINC000962248142 1086035494 /nfs/dbraw/zinc/03/54/94/1086035494.db2.gz ZTSCRWQDKYDTHS-QLPKVWCKSA-N 0 3 316.449 2.092 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3nccn3CC)C2)C1 ZINC000962267270 1086044021 /nfs/dbraw/zinc/04/40/21/1086044021.db2.gz PCEGJPZICYMVEE-UHFFFAOYSA-N 0 3 316.449 2.244 20 30 DEEDHN COCC#CCNC1(CNC(=O)CC2=CCCCC2)CCC1 ZINC001273056347 1086100944 /nfs/dbraw/zinc/10/09/44/1086100944.db2.gz SSCOEBCAISUEJQ-UHFFFAOYSA-N 0 3 304.434 2.155 20 30 DEEDHN C=CCN1C(=O)COCC12CN(C[C@H]1CCC(C)=C[C@H]1C)C2 ZINC001273124615 1086282885 /nfs/dbraw/zinc/28/28/85/1086282885.db2.gz MRZPYJWRSIOEFV-HZPDHXFCSA-N 0 3 304.434 2.078 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128804288 1086393144 /nfs/dbraw/zinc/39/31/44/1086393144.db2.gz ZXYWLWKBSOBPNV-XHSDSOJGSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001062227454 1086805753 /nfs/dbraw/zinc/80/57/53/1086805753.db2.gz CLACTDGTXVDJKC-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001062244023 1086813125 /nfs/dbraw/zinc/81/31/25/1086813125.db2.gz SWOCWRGILBJMCU-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CN(C)CCC)CC1 ZINC001079014109 1086940309 /nfs/dbraw/zinc/94/03/09/1086940309.db2.gz BSZJEGSLXADOFV-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)CN1CCC[C@@H]1C ZINC001486871172 1087009811 /nfs/dbraw/zinc/00/98/11/1087009811.db2.gz QQEPOAMMNUJOSD-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001486950782 1087040599 /nfs/dbraw/zinc/04/05/99/1087040599.db2.gz XSOPHEBRBLKYMM-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NC(=O)CN(C)C(C)C)CCC1 ZINC001063060751 1087342173 /nfs/dbraw/zinc/34/21/73/1087342173.db2.gz ICIAXYIMTXLHSC-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H](O)C1 ZINC001083892078 1087386091 /nfs/dbraw/zinc/38/60/91/1087386091.db2.gz JLEUBPKCPMRJLM-VQHPVUNQSA-N 0 3 308.466 2.186 20 30 DEEDHN C=C[C@@H](COC)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001329508493 1148907326 /nfs/dbraw/zinc/90/73/26/1148907326.db2.gz ZWMQMSZWCBWFRQ-HOTGVXAUSA-N 0 3 304.390 2.188 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001064108668 1087549081 /nfs/dbraw/zinc/54/90/81/1087549081.db2.gz BDUIBQOKUHBVOW-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(NC(=O)CN(C)C(C)C)CCC1 ZINC001064108827 1087549338 /nfs/dbraw/zinc/54/93/38/1087549338.db2.gz CTWMJHFXCFCQFL-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1c1cccc(F)c1 ZINC001079168649 1087730117 /nfs/dbraw/zinc/73/01/17/1087730117.db2.gz GOOQZWXPVIQYMN-LSDHHAIUSA-N 0 3 306.356 2.091 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOc1ccc(F)cc1 ZINC001114655219 1087766364 /nfs/dbraw/zinc/76/63/64/1087766364.db2.gz HWUFIPPMBMUTPP-VQFNDLOPSA-N 0 3 318.392 2.217 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cc(CO)ccc2F)C1 ZINC001490876816 1088074132 /nfs/dbraw/zinc/07/41/32/1088074132.db2.gz KQSGEEGMGIJYHA-SHTZXODSSA-N 0 3 306.381 2.021 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccnc3C)C[C@H]21 ZINC001114711622 1088200917 /nfs/dbraw/zinc/20/09/17/1088200917.db2.gz XZBOOEGQRQYJJE-DZFIZOCASA-N 0 3 311.429 2.130 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001079785389 1088415455 /nfs/dbraw/zinc/41/54/55/1088415455.db2.gz RKNOOGJSAGYCRC-GDBMZVCRSA-N 0 3 304.438 2.165 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cncc3ccccc32)C1 ZINC001079887055 1088490338 /nfs/dbraw/zinc/49/03/38/1088490338.db2.gz NCBFXNCQBZBTMS-RDTXWAMCSA-N 0 3 309.413 2.400 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001080379741 1088853662 /nfs/dbraw/zinc/85/36/62/1088853662.db2.gz OERKGNGBKGSZOM-RDTXWAMCSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC000958244836 1088878980 /nfs/dbraw/zinc/87/89/80/1088878980.db2.gz XWJNLHSSIUIALM-SJORKVTESA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2c(C)cccc2Cl)C1 ZINC000958380345 1088951874 /nfs/dbraw/zinc/95/18/74/1088951874.db2.gz YTCHFFRMCGQZOO-HIFRSBDPSA-N 0 3 322.836 2.247 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc3occc3s2)C1 ZINC000958405583 1088970525 /nfs/dbraw/zinc/97/05/25/1088970525.db2.gz UNHIQADISJXLTK-NEPJUHHUSA-N 0 3 320.414 2.093 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001080562387 1089065746 /nfs/dbraw/zinc/06/57/46/1089065746.db2.gz WNJADJRJKREBQZ-IUODEOHRSA-N 0 3 303.406 2.147 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC000958580398 1089070031 /nfs/dbraw/zinc/07/00/31/1089070031.db2.gz FZQBJPJYUWGAAZ-ZFWWWQNUSA-N 0 3 322.836 2.165 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC000958590630 1089074797 /nfs/dbraw/zinc/07/47/97/1089074797.db2.gz BHNDVQYEPCBDDY-MSOLQXFVSA-N 0 3 314.429 2.163 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001080600646 1089102791 /nfs/dbraw/zinc/10/27/91/1089102791.db2.gz LVCLDTLVEGZCGU-IAQYHMDHSA-N 0 3 317.364 2.132 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001080627731 1089108942 /nfs/dbraw/zinc/10/89/42/1089108942.db2.gz LSBOREPFLORQAL-VNQPRFMTSA-N 0 3 300.402 2.175 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC000958654506 1089126997 /nfs/dbraw/zinc/12/69/97/1089126997.db2.gz UEVAIKGYAOTXBP-GJZGRUSLSA-N 0 3 322.474 2.218 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001080678511 1089135516 /nfs/dbraw/zinc/13/55/16/1089135516.db2.gz OAQZIJCSVMFKGD-GDBMZVCRSA-N 0 3 304.438 2.165 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001080788831 1089191691 /nfs/dbraw/zinc/19/16/91/1089191691.db2.gz GAMAUMSUYWZWEE-QGPMSJSTSA-N 0 3 314.429 2.311 20 30 DEEDHN CCC(=O)N1CCCC[C@H]1CNCc1cc(C#N)ccc1OC ZINC000958814720 1089201274 /nfs/dbraw/zinc/20/12/74/1089201274.db2.gz HLTJHKQITSVHDN-INIZCTEOSA-N 0 3 315.417 2.448 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncccc2OC(C)C)C1 ZINC001080868269 1089222670 /nfs/dbraw/zinc/22/26/70/1089222670.db2.gz PNXGDVRFWNWZCT-HUUCEWRRSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001080871958 1089226771 /nfs/dbraw/zinc/22/67/71/1089226771.db2.gz XYTVXGBYXYWAGA-CXAGYDPISA-N 0 3 312.417 2.118 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(OCC)c2)C1 ZINC001081007661 1089278147 /nfs/dbraw/zinc/27/81/47/1089278147.db2.gz CPQABTFSPZLUBF-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CN(CC)CC)o2)C1 ZINC001081025999 1089285703 /nfs/dbraw/zinc/28/57/03/1089285703.db2.gz IMMGRPAKGNVZGC-GDBMZVCRSA-N 0 3 319.449 2.358 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccc(CC)n2)[C@H](OC)C1 ZINC001081804328 1089473290 /nfs/dbraw/zinc/47/32/90/1089473290.db2.gz ZEAYAEIHWRNUHO-IAGOWNOFSA-N 0 3 317.433 2.039 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H](OC)C1 ZINC001082187409 1089767646 /nfs/dbraw/zinc/76/76/46/1089767646.db2.gz KJQLEJJJQARVAR-CGTJXYLNSA-N 0 3 316.445 2.490 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CC23CCCC3)[C@H](OC)C1 ZINC001082302224 1089835642 /nfs/dbraw/zinc/83/56/42/1089835642.db2.gz DYNIUTLVMDBTJU-BZUAXINKSA-N 0 3 306.450 2.348 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C ZINC001082448694 1089961972 /nfs/dbraw/zinc/96/19/72/1089961972.db2.gz ZDVNCYSTROFXAD-SQWLQELKSA-N 0 3 315.417 2.100 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1snc(Cl)c1Cl ZINC000960108566 1089965414 /nfs/dbraw/zinc/96/54/14/1089965414.db2.gz DVPNQZQBVIZZQJ-QMSLJYSESA-N 0 3 318.229 2.296 20 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C=C[C@H](O)CN1CCC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001253586824 1142883018 /nfs/dbraw/zinc/88/30/18/1142883018.db2.gz SIIJTRRRFFBLBU-GJZGRUSLSA-N 0 3 310.438 2.397 20 30 DEEDHN C=C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001253602460 1142883814 /nfs/dbraw/zinc/88/38/14/1142883814.db2.gz IVRIWQRADCWRQT-OAHLLOKOSA-N 0 3 321.384 2.170 20 30 DEEDHN C=C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001253602460 1142883815 /nfs/dbraw/zinc/88/38/15/1142883815.db2.gz IVRIWQRADCWRQT-OAHLLOKOSA-N 0 3 321.384 2.170 20 30 DEEDHN C=C[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC001253605830 1142883875 /nfs/dbraw/zinc/88/38/75/1142883875.db2.gz XNSQGVCMCDCBKJ-ROUUACIJSA-N 0 3 316.445 2.183 20 30 DEEDHN C=C[C@@H](O)CNCc1ccc2nnc(-c3ccccc3F)n2c1 ZINC001253612279 1142884745 /nfs/dbraw/zinc/88/47/45/1142884745.db2.gz XYNWRYHSNIDJPC-CYBMUJFWSA-N 0 3 312.348 2.172 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC001339837114 1143127571 /nfs/dbraw/zinc/12/75/71/1143127571.db2.gz IBVFGLHMZYOPAW-AWEZNQCLSA-N 0 3 303.362 2.265 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNCc1ccccc1Cl ZINC001278790413 1143142490 /nfs/dbraw/zinc/14/24/90/1143142490.db2.gz FJEQXNAUOCNBAF-AWEZNQCLSA-N 0 3 324.852 2.461 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)NC1CCC(C(N)=O)CC1 ZINC001340047191 1143247030 /nfs/dbraw/zinc/24/70/30/1143247030.db2.gz RLEUGJBPFRQWMS-YMAMQOFZSA-N 0 3 311.470 2.225 20 30 DEEDHN CC(C)C[C@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)C(=O)N[O-] ZINC001254623918 1143286637 /nfs/dbraw/zinc/28/66/37/1143286637.db2.gz SWUWAODSCJZOEP-INIZCTEOSA-N 0 3 323.412 2.304 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001340552908 1143369398 /nfs/dbraw/zinc/36/93/98/1143369398.db2.gz GQRHZSQCUVQYGX-SWLSCSKDSA-N 0 3 315.417 2.432 20 30 DEEDHN CC[C@@H](CC#N)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001255162001 1143450410 /nfs/dbraw/zinc/45/04/10/1143450410.db2.gz FARIOLYXKKPDLP-AWEZNQCLSA-N 0 3 324.469 2.257 20 30 DEEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC001255162030 1143451762 /nfs/dbraw/zinc/45/17/62/1143451762.db2.gz FLBXSWVJKAKJNG-JYJNAYRXSA-N 0 3 300.406 2.404 20 30 DEEDHN C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001342116613 1143792124 /nfs/dbraw/zinc/79/21/24/1143792124.db2.gz QWYKUOOHTDTQIL-SOUVJXGZSA-N 0 3 303.454 2.364 20 30 DEEDHN C#CCOc1ccccc1OC(=O)C1CCCN(C2CC2)C1=O ZINC001342591516 1143825643 /nfs/dbraw/zinc/82/56/43/1143825643.db2.gz MGJBNBMNBQNJSM-AWEZNQCLSA-N 0 3 313.353 2.005 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)CCOCC)C(C)C)cc1 ZINC001278915237 1143831892 /nfs/dbraw/zinc/83/18/92/1143831892.db2.gz SWVRTPCOBRWOST-UHFFFAOYSA-N 0 3 316.445 2.487 20 30 DEEDHN C#CCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256486686 1143851009 /nfs/dbraw/zinc/85/10/09/1143851009.db2.gz WEYZWBHODONBMN-CVEARBPZSA-N 0 3 321.465 2.025 20 30 DEEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C2CCC(C#N)CC2)C1 ZINC001256965429 1143876988 /nfs/dbraw/zinc/87/69/88/1143876988.db2.gz UCDFNLSWLUKSMK-HXSCFSKGSA-N 0 3 323.437 2.029 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001279001800 1143894253 /nfs/dbraw/zinc/89/42/53/1143894253.db2.gz DYPWDUAQWGWPQN-CXAGYDPISA-N 0 3 321.469 2.336 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001299696802 1144198130 /nfs/dbraw/zinc/19/81/30/1144198130.db2.gz WDKAZYLDUJBVLB-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC[C@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)N(C)C)C1=O ZINC001262199852 1144298549 /nfs/dbraw/zinc/29/85/49/1144298549.db2.gz BWXJYGYTTWTKQI-HUUCEWRRSA-N 0 3 301.390 2.094 20 30 DEEDHN COCCCC1(CN2CCC(C#N)(C(=O)OC)CC2)CCC1 ZINC001262372574 1144309885 /nfs/dbraw/zinc/30/98/85/1144309885.db2.gz VPDHSZXXNZNNTO-UHFFFAOYSA-N 0 3 308.422 2.362 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001263260566 1144363598 /nfs/dbraw/zinc/36/35/98/1144363598.db2.gz FVSIMMSVXWYULD-XQQFMLRXSA-N 0 3 321.387 2.154 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001263805830 1144396362 /nfs/dbraw/zinc/39/63/62/1144396362.db2.gz WZYZCHABMCIABL-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CC[C@@H]2CCCO2)C1 ZINC001263812516 1144398741 /nfs/dbraw/zinc/39/87/41/1144398741.db2.gz OHKTVGXOEAAACA-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCc1ccncc1 ZINC001263812724 1144398844 /nfs/dbraw/zinc/39/88/44/1144398844.db2.gz SNNAUQPWOHPOPE-NVXWUHKLSA-N 0 3 317.433 2.096 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1C[C@@H](NCc2cnoc2C)C1 ZINC001263831528 1144405595 /nfs/dbraw/zinc/40/55/95/1144405595.db2.gz SAWQALRQJINRBU-FZNQNYSPSA-N 0 3 303.406 2.161 20 30 DEEDHN CC[C@@H](C)C(=O)N1CC2(C[C@H]1C)CCN(CC#CCOC)CC2 ZINC001263934973 1144426870 /nfs/dbraw/zinc/42/68/70/1144426870.db2.gz RCOXOGKBIMLPFA-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccncn1 ZINC001263959643 1144433217 /nfs/dbraw/zinc/43/32/17/1144433217.db2.gz XYCFUSCIIAUVAK-IUODEOHRSA-N 0 3 322.840 2.450 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)COc2cccc(CC)c2)[C@H]1C ZINC001264171967 1144495959 /nfs/dbraw/zinc/49/59/59/1144495959.db2.gz MAQBNIARXVIDFM-QAPCUYQASA-N 0 3 314.429 2.230 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001264208053 1144506500 /nfs/dbraw/zinc/50/65/00/1144506500.db2.gz DBSLJAACXQPSMT-UHFFFAOYSA-N 0 3 314.404 2.462 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001264376388 1144518082 /nfs/dbraw/zinc/51/80/82/1144518082.db2.gz HYPFTBKRYQTCRL-RDJZCZTQSA-N 0 3 318.465 2.098 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001264428346 1144537713 /nfs/dbraw/zinc/53/77/13/1144537713.db2.gz PUVNAMVTUGPMNT-MOIQIXESSA-N 0 3 314.404 2.318 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@H](N(CC=C(C)C)CCO)C1 ZINC001264634300 1144582966 /nfs/dbraw/zinc/58/29/66/1144582966.db2.gz MCLJWNHVJNHFEJ-SFHVURJKSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ncc2ccccn21 ZINC001264741512 1144603547 /nfs/dbraw/zinc/60/35/47/1144603547.db2.gz DTRREUUXYRFXQK-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN CCC1(C(=O)N[C@@H]2CCN(CC#CCOC)CC(C)(C)C2)CC1 ZINC001264753480 1144606634 /nfs/dbraw/zinc/60/66/34/1144606634.db2.gz IWGTYPSTBYVJTH-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001265230706 1144672764 /nfs/dbraw/zinc/67/27/64/1144672764.db2.gz KKHNXVYGPCVTIO-IAGOWNOFSA-N 0 3 319.449 2.222 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN1CCN(CC=C(C)C)CC1 ZINC001265247291 1144675639 /nfs/dbraw/zinc/67/56/39/1144675639.db2.gz GWPBCJLMGDYWAX-UHFFFAOYSA-N 0 3 307.482 2.289 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001265274951 1144679603 /nfs/dbraw/zinc/67/96/03/1144679603.db2.gz JVMLERCHDOQRTQ-RDJZCZTQSA-N 0 3 300.402 2.067 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001265312294 1144690659 /nfs/dbraw/zinc/69/06/59/1144690659.db2.gz LGARAOHISQJLFL-CABCVRRESA-N 0 3 306.406 2.166 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)OCC(C)C)CC1 ZINC001265323767 1144693602 /nfs/dbraw/zinc/69/36/02/1144693602.db2.gz NFTJAGUZUPSXKQ-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN Cn1cccc1C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001265348402 1144696864 /nfs/dbraw/zinc/69/68/64/1144696864.db2.gz RZJJXBRHTZMEDL-GOSISDBHSA-N 0 3 321.424 2.175 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](NCc2cnn(C)c2)C2CC2)CCC1 ZINC001265369559 1144698955 /nfs/dbraw/zinc/69/89/55/1144698955.db2.gz AEPJANVTBVNOSP-INIZCTEOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001265407122 1144702515 /nfs/dbraw/zinc/70/25/15/1144702515.db2.gz QVCAFOJOHJNBIP-BMFAXAFESA-N 0 3 318.461 2.445 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCOc2cccc(C)c2C)C1 ZINC001265434004 1144703831 /nfs/dbraw/zinc/70/38/31/1144703831.db2.gz UOGNLVYXEOOOGH-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2ccc(C)cc2)C1 ZINC001265468707 1144705809 /nfs/dbraw/zinc/70/58/09/1144705809.db2.gz LPPUYKHPJXYRKM-WKILWMFISA-N 0 3 315.417 2.137 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001265541566 1144710703 /nfs/dbraw/zinc/71/07/03/1144710703.db2.gz HNTBFOSGHBECOY-TUKIKUTGSA-N 0 3 317.437 2.179 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001265553831 1144711366 /nfs/dbraw/zinc/71/13/66/1144711366.db2.gz DJTVZHNSLXFYTQ-SOUVJXGZSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001265554753 1144711680 /nfs/dbraw/zinc/71/16/80/1144711680.db2.gz YDPNPVQJKLNBLP-RWMBFGLXSA-N 0 3 323.462 2.491 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001265658447 1144724111 /nfs/dbraw/zinc/72/41/11/1144724111.db2.gz ZBHLROIQDDMIMF-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN COCC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001265693129 1144729258 /nfs/dbraw/zinc/72/92/58/1144729258.db2.gz DUNDFADBAVPZGW-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001265900519 1144752745 /nfs/dbraw/zinc/75/27/45/1144752745.db2.gz AJUWCIGXTKVXSM-CQSZACIVSA-N 0 3 305.809 2.229 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](CNCc2cc(C)no2)C1 ZINC001266008397 1144784644 /nfs/dbraw/zinc/78/46/44/1144784644.db2.gz DIZZCLCXPQDWFV-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2cccnc2)C1 ZINC001266105877 1144806069 /nfs/dbraw/zinc/80/60/69/1144806069.db2.gz UZVNMOXKYFFXFS-QGZVFWFLSA-N 0 3 313.445 2.305 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)CCCn2cccc2)CC1 ZINC001279163865 1144819019 /nfs/dbraw/zinc/81/90/19/1144819019.db2.gz GJLXBERVXJSERM-INIZCTEOSA-N 0 3 301.434 2.118 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1CCOC1 ZINC001279298167 1144820376 /nfs/dbraw/zinc/82/03/76/1144820376.db2.gz YALJGQSYEATLAL-SFHVURJKSA-N 0 3 314.429 2.055 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001279355773 1144821183 /nfs/dbraw/zinc/82/11/83/1144821183.db2.gz AJCSPWZBGMBALA-CALCHBBNSA-N 0 3 311.429 2.165 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)Cc2ccn(CC)n2)C1 ZINC001280054898 1144831421 /nfs/dbraw/zinc/83/14/21/1144831421.db2.gz ZJMZISITOFWCEA-CQSZACIVSA-N 0 3 324.856 2.026 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cccnc2OC)cc1 ZINC001280354392 1144836332 /nfs/dbraw/zinc/83/63/32/1144836332.db2.gz OQAWVZNHHHCNKG-AWEZNQCLSA-N 0 3 323.396 2.304 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)CCC(=C)C ZINC001280442961 1144840012 /nfs/dbraw/zinc/84/00/12/1144840012.db2.gz OXGKOPINXCKFCY-HZPDHXFCSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001280867719 1144860566 /nfs/dbraw/zinc/86/05/66/1144860566.db2.gz BEHRPARDLLBTGR-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 ZINC001281577999 1144898365 /nfs/dbraw/zinc/89/83/65/1144898365.db2.gz QRKQFJJULUJPCU-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccc(OC)cc2)C[C@H]1C ZINC001281682199 1144906414 /nfs/dbraw/zinc/90/64/14/1144906414.db2.gz CWQRPSHJNRWLOZ-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccc(F)cc2)C[C@H]1C ZINC001281687352 1144908160 /nfs/dbraw/zinc/90/81/60/1144908160.db2.gz XKQSAACYHIFHNO-ZBFHGGJFSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1c2ccccc2CCN1CCC ZINC001281776952 1144913721 /nfs/dbraw/zinc/91/37/21/1144913721.db2.gz QHHAKTJMHGCCMY-KRWDZBQOSA-N 0 3 302.418 2.315 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN(C)C(C)C ZINC001282197172 1145011179 /nfs/dbraw/zinc/01/11/79/1145011179.db2.gz OXNSMLPFFIAHIB-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1ncc(CNCC(C)(C)CN(C)C(=O)C#CC(C)C)o1 ZINC001282295537 1145030955 /nfs/dbraw/zinc/03/09/55/1145030955.db2.gz GFUJDKQVSAYVJC-UHFFFAOYSA-N 0 3 305.422 2.217 20 30 DEEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)Cc1ccc2c(c1)COC2 ZINC001282384485 1145055465 /nfs/dbraw/zinc/05/54/65/1145055465.db2.gz LUDJMZUOOVEABB-AWEZNQCLSA-N 0 3 312.413 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCO[C@@H]1CC1(F)F ZINC001282444377 1145070437 /nfs/dbraw/zinc/07/04/37/1145070437.db2.gz PXDPFNHOJQJFTK-NWDGAFQWSA-N 0 3 304.381 2.059 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCOc2ccc(F)cc2)C1 ZINC001282734686 1145149516 /nfs/dbraw/zinc/14/95/16/1145149516.db2.gz GNVQGCOMGJSQSW-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001282739447 1145157983 /nfs/dbraw/zinc/15/79/83/1145157983.db2.gz URVPPWCRCBJYAX-CYBMUJFWSA-N 0 3 318.465 2.075 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC001282860763 1145180748 /nfs/dbraw/zinc/18/07/48/1145180748.db2.gz XFBLMBIXGXEPJR-NNZMDNLPSA-N 0 3 314.404 2.279 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)NCc2scnc2C)C1 ZINC001282901351 1145194383 /nfs/dbraw/zinc/19/43/83/1145194383.db2.gz BHZNYYMWJGXONK-TZMCWYRMSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC001283297007 1145349712 /nfs/dbraw/zinc/34/97/12/1145349712.db2.gz SDAXHKUBDCVQHO-GJZGRUSLSA-N 0 3 323.481 2.179 20 30 DEEDHN CCC(=O)N(C)[C@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001283471303 1145452589 /nfs/dbraw/zinc/45/25/89/1145452589.db2.gz MACCRFQHQAQMKP-QGZVFWFLSA-N 0 3 302.393 2.414 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001283622019 1145548326 /nfs/dbraw/zinc/54/83/26/1145548326.db2.gz QJHFEMGGJFVORE-KBXCAEBGSA-N 0 3 320.408 2.147 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccn(C)c1 ZINC001283859340 1145671275 /nfs/dbraw/zinc/67/12/75/1145671275.db2.gz DGHGYMZMCIJSLG-VQIMIIECSA-N 0 3 321.424 2.269 20 30 DEEDHN CCN1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C(C)(C)C1 ZINC001364974943 1145724945 /nfs/dbraw/zinc/72/49/45/1145724945.db2.gz HYTFZOFSJOZETE-MRXNPFEDSA-N 0 3 311.429 2.436 20 30 DEEDHN CCc1ccc(C(=O)N2C[C@H](NCC#CCOC)C[C@@H]2C)s1 ZINC001283994550 1145740820 /nfs/dbraw/zinc/74/08/20/1145740820.db2.gz FCMLFHHZXSPUFR-UONOGXRCSA-N 0 3 320.458 2.153 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@@H]1C ZINC001284001497 1145745187 /nfs/dbraw/zinc/74/51/87/1145745187.db2.gz QWXMWLHOURGZJB-DOTOQJQBSA-N 0 3 316.449 2.083 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001284122979 1145803141 /nfs/dbraw/zinc/80/31/41/1145803141.db2.gz POPCPTOFLXQHPP-NVXWUHKLSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C/C=C\c1ccc(F)cc1 ZINC001284502350 1145864014 /nfs/dbraw/zinc/86/40/14/1145864014.db2.gz NSENESJLFZSVCS-OSJSJHBBSA-N 0 3 320.408 2.166 20 30 DEEDHN C=CCCC(=O)NCCN(CC)C(=O)[C@@H]1CCCCN1C(C)C ZINC001284602960 1145877741 /nfs/dbraw/zinc/87/77/41/1145877741.db2.gz NNLIZNCSKMCNEW-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN(CCNC(=O)C1CCC(C)(C)CC1)CCOC ZINC001284669532 1145888083 /nfs/dbraw/zinc/88/80/83/1145888083.db2.gz YPAZDJNZFISNDD-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)CN(CC)CC ZINC001284675680 1145889028 /nfs/dbraw/zinc/88/90/28/1145889028.db2.gz LULBTPJTIXXSGQ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)CCC2CC2)CC1 ZINC001284678285 1145889356 /nfs/dbraw/zinc/88/93/56/1145889356.db2.gz ZLXKNGVDKQIYDI-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001316634327 1145891766 /nfs/dbraw/zinc/89/17/66/1145891766.db2.gz FSYWLAUXXPQUJQ-SHTZXODSSA-N 0 3 302.422 2.126 20 30 DEEDHN C#CCCCC(=O)N(C)C1CC(NCc2c(C)noc2C)C1 ZINC001284760998 1145901493 /nfs/dbraw/zinc/90/14/93/1145901493.db2.gz RWVCWQFLEKQKHK-UHFFFAOYSA-N 0 3 303.406 2.174 20 30 DEEDHN C#CCOCCC(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001284842186 1145935429 /nfs/dbraw/zinc/93/54/29/1145935429.db2.gz LIVDRRGOUCAVOL-INIZCTEOSA-N 0 3 324.440 2.135 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)[C@@H](C)COC)C1 ZINC001365814660 1146018240 /nfs/dbraw/zinc/01/82/40/1146018240.db2.gz SNCXLJDNWQTYTK-AHLTXXRQSA-N 0 3 302.846 2.142 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc(C)n1CCN1CCc2ccccc2C1 ZINC001286274973 1146546853 /nfs/dbraw/zinc/54/68/53/1146546853.db2.gz LWJBNZWTNDBNPR-OAHLLOKOSA-N 0 3 323.444 2.103 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001288482792 1146804819 /nfs/dbraw/zinc/80/48/19/1146804819.db2.gz OCUAGNAVYWMFKW-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCCc2ccccn2)C1 ZINC001491961090 1147021642 /nfs/dbraw/zinc/02/16/42/1147021642.db2.gz ZNPHQWHFKYCUNL-SFHVURJKSA-N 0 3 313.445 2.350 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3ncccc23)C1 ZINC001491965371 1147024035 /nfs/dbraw/zinc/02/40/35/1147024035.db2.gz KMNNTCKIUPOEHC-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001366047204 1147026623 /nfs/dbraw/zinc/02/66/23/1147026623.db2.gz DDYGACIBYWWWSC-KCTSRDHCSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001492210314 1147150642 /nfs/dbraw/zinc/15/06/42/1147150642.db2.gz BHHBGJVPWYUOML-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cccnc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001366271475 1147187306 /nfs/dbraw/zinc/18/73/06/1147187306.db2.gz PVJVTGIQUNQVKB-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cn[nH]c1 ZINC001316673017 1147262543 /nfs/dbraw/zinc/26/25/43/1147262543.db2.gz ATGPCNYYUQPHRM-RISCZKNCSA-N 0 3 310.829 2.383 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn(C)nc1C(F)F ZINC001366477693 1147301633 /nfs/dbraw/zinc/30/16/33/1147301633.db2.gz RDZYSAWXLSSVTL-SECBINFHSA-N 0 3 320.771 2.208 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C(F)F)n(C)n1 ZINC001366487502 1147306790 /nfs/dbraw/zinc/30/67/90/1147306790.db2.gz VQUMWPQYXUOPNF-VIFPVBQESA-N 0 3 320.771 2.208 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2oc(CC)nc2C)C1 ZINC001317320549 1147333101 /nfs/dbraw/zinc/33/31/01/1147333101.db2.gz PKDUPFZNUBQKQT-OAHLLOKOSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CN[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001317333118 1147350538 /nfs/dbraw/zinc/35/05/38/1147350538.db2.gz BOLRJBKLDDEODS-UONOGXRCSA-N 0 3 319.453 2.223 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCC[C@@H]1CCCN1CC(=C)Cl ZINC001317421180 1147373328 /nfs/dbraw/zinc/37/33/28/1147373328.db2.gz MHRISFYNJVKDLS-ZBFHGGJFSA-N 0 3 314.857 2.427 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001317464208 1147386739 /nfs/dbraw/zinc/38/67/39/1147386739.db2.gz RWHZDSDJUAPTGU-GFCCVEGCSA-N 0 3 309.435 2.232 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001307449619 1147427057 /nfs/dbraw/zinc/42/70/57/1147427057.db2.gz OMJFLURXYYFLMN-UHFFFAOYSA-N 0 3 301.390 2.294 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C1CC(C(C)(C)C)C1 ZINC001316868083 1147555632 /nfs/dbraw/zinc/55/56/32/1147555632.db2.gz XPBRCVVRYGSKQI-UHFFFAOYSA-N 0 3 308.466 2.147 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@H](CCNC(=O)c2ccon2)C1 ZINC001366834272 1147587563 /nfs/dbraw/zinc/58/75/63/1147587563.db2.gz KPASGZXPPFIVMG-CQSZACIVSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC(F)(F)F)C(C)(C)[C@H]21 ZINC001316718880 1147590966 /nfs/dbraw/zinc/59/09/66/1147590966.db2.gz IWAMCGAOTFSRMI-WXHSDQCUSA-N 0 3 302.340 2.177 20 30 DEEDHN CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001316874933 1147618532 /nfs/dbraw/zinc/61/85/32/1147618532.db2.gz VCEGUJQPZWCQJF-HOCLYGCPSA-N 0 3 300.402 2.388 20 30 DEEDHN CC#CCN(CCCNC(=O)c1c(Cl)cnn1CC)C1CC1 ZINC001316916423 1147630856 /nfs/dbraw/zinc/63/08/56/1147630856.db2.gz LDQCLUYPYIANJJ-UHFFFAOYSA-N 0 3 322.840 2.164 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001316960026 1147639595 /nfs/dbraw/zinc/63/95/95/1147639595.db2.gz DKZFNVRNPLIIFH-MJGOQNOKSA-N 0 3 321.509 2.369 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CCN(CCC[C@H](C)O)C2)CCCCC1 ZINC001316994037 1147646039 /nfs/dbraw/zinc/64/60/39/1147646039.db2.gz IFCRWIYYVHNSHX-DLBZAZTESA-N 0 3 320.477 2.312 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H](C)c2cccc(OC)c2)C1 ZINC001317069143 1147655947 /nfs/dbraw/zinc/65/59/47/1147655947.db2.gz GCLFWABKCNYTCA-RDJZCZTQSA-N 0 3 314.429 2.403 20 30 DEEDHN Cc1cc(CNCC2(NC(=O)[C@@H](C)C#N)CCCC2)sn1 ZINC001367161970 1147658548 /nfs/dbraw/zinc/65/85/48/1147658548.db2.gz STLOJKQKEHPNGZ-NSHDSACASA-N 0 3 306.435 2.130 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cccc2)C1 ZINC001317099729 1147659461 /nfs/dbraw/zinc/65/94/61/1147659461.db2.gz IVQUNIYWEJOYAZ-ZWKOTPCHSA-N 0 3 313.445 2.214 20 30 DEEDHN C=CCCCN1CCCC[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001317177067 1147671656 /nfs/dbraw/zinc/67/16/56/1147671656.db2.gz QLVLNTZNRWRISX-HNNXBMFYSA-N 0 3 317.433 2.234 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001317244799 1147682226 /nfs/dbraw/zinc/68/22/26/1147682226.db2.gz MIOXIBFJJPSNKQ-ZDUSSCGKSA-N 0 3 304.821 2.489 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@@H](C)NCC#CCOC)c1ccccc1 ZINC001317286061 1147685973 /nfs/dbraw/zinc/68/59/73/1147685973.db2.gz CJCQMMNVEPOERD-SJLPKXTDSA-N 0 3 314.429 2.090 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001317298218 1147687165 /nfs/dbraw/zinc/68/71/65/1147687165.db2.gz WBWFJFTZXSIOBK-MAUKXSAKSA-N 0 3 320.408 2.152 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001317338386 1147692793 /nfs/dbraw/zinc/69/27/93/1147692793.db2.gz DPFBTCRZEBHWCH-TZMCWYRMSA-N 0 3 319.453 2.215 20 30 DEEDHN C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001317363180 1147696519 /nfs/dbraw/zinc/69/65/19/1147696519.db2.gz FUJCUDSGPKJJCF-UONOGXRCSA-N 0 3 318.421 2.087 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2OC)C1 ZINC001317376818 1147698913 /nfs/dbraw/zinc/69/89/13/1147698913.db2.gz JHDSSHJPKMUCJY-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H](C)n1ccnc1)C(C)C ZINC001367481871 1147700534 /nfs/dbraw/zinc/70/05/34/1147700534.db2.gz LEBDWPGKFHMNSF-ZIAGYGMSSA-N 0 3 312.845 2.317 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1c(C)cnn1C ZINC001317430464 1147706632 /nfs/dbraw/zinc/70/66/32/1147706632.db2.gz VRJPGHTZMRMOFY-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)C1(c2ccccc2OC)CC1 ZINC001317473102 1147713390 /nfs/dbraw/zinc/71/33/90/1147713390.db2.gz OPITXXSRTZPQDU-UHFFFAOYSA-N 0 3 302.418 2.351 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(CCOCC)CCC1 ZINC001317506325 1147717021 /nfs/dbraw/zinc/71/70/21/1147717021.db2.gz ZFHASEZCUUTUKC-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCCc2ccc(OC)cc2)C1 ZINC001317531577 1147721542 /nfs/dbraw/zinc/72/15/42/1147721542.db2.gz ULNSWCXLAXZROT-QGZVFWFLSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cnn(C(C)C)c1Cl ZINC001317542632 1147722531 /nfs/dbraw/zinc/72/25/31/1147722531.db2.gz GELDMJSCMAEJAR-UHFFFAOYSA-N 0 3 310.829 2.192 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc(C)n(C(CC)CC)n1 ZINC001317604903 1147731938 /nfs/dbraw/zinc/73/19/38/1147731938.db2.gz YRPVYBNNRUMACM-UHFFFAOYSA-N 0 3 304.438 2.238 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1CCCC1 ZINC001367724018 1147733199 /nfs/dbraw/zinc/73/31/99/1147733199.db2.gz SCXJDNQQINYKSL-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CCn1cccn1)c1ccccc1 ZINC001317713611 1147746384 /nfs/dbraw/zinc/74/63/84/1147746384.db2.gz DNICLGPAFVYNGH-KRWDZBQOSA-N 0 3 312.417 2.296 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@H](NCCO)c1ccccc1)c1ccccc1 ZINC001317728258 1147747882 /nfs/dbraw/zinc/74/78/82/1147747882.db2.gz IEAQGLTXFJNXGM-RTBURBONSA-N 0 3 324.424 2.396 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H](NCCO)c1ccccc1)c1ccccc1 ZINC001317728257 1147748062 /nfs/dbraw/zinc/74/80/62/1147748062.db2.gz IEAQGLTXFJNXGM-RBUKOAKNSA-N 0 3 324.424 2.396 20 30 DEEDHN C#CCC1(C(=O)NCC2CN(CCCCOC)C2)CCCCC1 ZINC001318179457 1147790443 /nfs/dbraw/zinc/79/04/43/1147790443.db2.gz KFMVOHLLSBUIBT-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001318206779 1147797550 /nfs/dbraw/zinc/79/75/50/1147797550.db2.gz XADIGZOIRLQJSH-XLAORIBOSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001318329685 1147812782 /nfs/dbraw/zinc/81/27/82/1147812782.db2.gz SCEFROFXOXEBFT-MJGOQNOKSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCNC(=O)C(C)(C)C)C1 ZINC001324632934 1147823641 /nfs/dbraw/zinc/82/36/41/1147823641.db2.gz PMPVXVALIWBYMS-SFHVURJKSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2c(F)cccc2OC)CC1 ZINC001324864836 1147854420 /nfs/dbraw/zinc/85/44/20/1147854420.db2.gz VNTHZWLZSSKOAJ-UHFFFAOYSA-N 0 3 318.392 2.299 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2c(C)cccc2Cl)C1 ZINC001325125189 1147877844 /nfs/dbraw/zinc/87/78/44/1147877844.db2.gz AULVWJLFHLCQPO-MRXNPFEDSA-N 0 3 308.809 2.001 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccccc2CC(C)C)C1 ZINC001325161843 1147881569 /nfs/dbraw/zinc/88/15/69/1147881569.db2.gz QYZDNYUQRXQEHR-IBGZPJMESA-N 0 3 316.445 2.238 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]([C@@H](C)NCc2ccn(CC)n2)C1 ZINC001325397146 1147899613 /nfs/dbraw/zinc/89/96/13/1147899613.db2.gz OPYKYQQIQKIYMH-CVEARBPZSA-N 0 3 316.449 2.033 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC001325789597 1148000009 /nfs/dbraw/zinc/00/00/09/1148000009.db2.gz LSWJRZWQBZLNOE-INIZCTEOSA-N 0 3 300.402 2.373 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(C(F)(F)F)CC1 ZINC001325901163 1148017417 /nfs/dbraw/zinc/01/74/17/1148017417.db2.gz VWXPFFJRKLDFNV-CHWSQXEVSA-N 0 3 314.351 2.418 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@H]1CCOC1 ZINC001326448887 1148101742 /nfs/dbraw/zinc/10/17/42/1148101742.db2.gz CJVWKVBUKAEWBJ-MRXNPFEDSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2[nH]c(C)nc2C)cc1 ZINC001326481574 1148110104 /nfs/dbraw/zinc/11/01/04/1148110104.db2.gz RYTFPULHDWDCOM-GFCCVEGCSA-N 0 3 310.401 2.240 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)n2cccn2)cc1 ZINC001326490627 1148114341 /nfs/dbraw/zinc/11/43/41/1148114341.db2.gz RMDOHCGGWSUONI-JKSUJKDBSA-N 0 3 324.428 2.434 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCO[C@H]1C ZINC001326495287 1148116066 /nfs/dbraw/zinc/11/60/66/1148116066.db2.gz RISSTCJSIBUGMS-WMLDXEAASA-N 0 3 302.418 2.346 20 30 DEEDHN COc1ccc(C[C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC001326824110 1148261180 /nfs/dbraw/zinc/26/11/80/1148261180.db2.gz VPXYNFPMQBNTQZ-YOEHRIQHSA-N 0 3 317.433 2.496 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)CCC1 ZINC001326925076 1148292372 /nfs/dbraw/zinc/29/23/72/1148292372.db2.gz XXZTYORREXGGFF-CQSZACIVSA-N 0 3 318.392 2.245 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](OC)c2ccc(F)cc2)CCC1 ZINC001326937646 1148294308 /nfs/dbraw/zinc/29/43/08/1148294308.db2.gz LAVTWKYZLFKYOV-MRXNPFEDSA-N 0 3 318.392 2.165 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@@H](CNCc2cnccc2C)C1 ZINC001327020051 1148311403 /nfs/dbraw/zinc/31/14/03/1148311403.db2.gz OGENESUSDHOPKZ-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCCCCCN1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000278323196 214090900 /nfs/dbraw/zinc/09/09/00/214090900.db2.gz CPSZWFHIBBRTSQ-HNNXBMFYSA-N 0 3 314.437 2.381 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)CO[C@@H](C)COC ZINC000278663106 214309306 /nfs/dbraw/zinc/30/93/06/214309306.db2.gz NGCUPWVJNVNRTC-YJBOKZPZSA-N 0 3 320.433 2.183 20 30 DEEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccs1 ZINC000090604451 185306134 /nfs/dbraw/zinc/30/61/34/185306134.db2.gz RIPLFJWPNZGRHZ-VXGBXAGGSA-N 0 3 302.465 2.217 20 30 DEEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000181560535 199318344 /nfs/dbraw/zinc/31/83/44/199318344.db2.gz BAFHXCNTMRFRBI-SUMWQHHRSA-N 0 3 312.369 2.354 20 30 DEEDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(C)CC1 ZINC000330398360 529933703 /nfs/dbraw/zinc/93/37/03/529933703.db2.gz QEKVWGTZVFBHGC-UHFFFAOYSA-N 0 3 320.393 2.077 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)cn1 ZINC000302493546 529973736 /nfs/dbraw/zinc/97/37/36/529973736.db2.gz ZWGKPDUVGQULLH-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN COc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000614816967 362468705 /nfs/dbraw/zinc/46/87/05/362468705.db2.gz HSLSUGNGIWXLGI-UHFFFAOYSA-N 0 3 323.400 2.115 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)C(C)C ZINC000615575109 362643680 /nfs/dbraw/zinc/64/36/80/362643680.db2.gz ZDOGLMUFXWDXLU-DOTOQJQBSA-N 0 3 322.428 2.332 20 30 DEEDHN CN(CCCNC(=O)N1CC[C@@](F)(C#N)C1)Cc1ccccc1 ZINC000615529183 362628922 /nfs/dbraw/zinc/62/89/22/362628922.db2.gz RZHCBOXAJUZEKP-QGZVFWFLSA-N 0 3 318.396 2.156 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCSC3)C2=O)cc1 ZINC000272608860 210008204 /nfs/dbraw/zinc/00/82/04/210008204.db2.gz VTNVMPGDUQEYTF-ZFWWWQNUSA-N 0 3 301.415 2.149 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)N1CCC[C@@H](C)C1 ZINC000595504679 358467915 /nfs/dbraw/zinc/46/79/15/358467915.db2.gz GSNNQRIXRYKLDX-BZUAXINKSA-N 0 3 306.454 2.442 20 30 DEEDHN Cc1nccn1CCNC([O-])=[NH+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000328876497 539911721 /nfs/dbraw/zinc/91/17/21/539911721.db2.gz ZTBBOZRTTLCZAA-RRFJBIMHSA-N 0 3 318.421 2.043 20 30 DEEDHN Cc1nccn1CC[NH+]=C([O-])N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000328876497 539911723 /nfs/dbraw/zinc/91/17/23/539911723.db2.gz ZTBBOZRTTLCZAA-RRFJBIMHSA-N 0 3 318.421 2.043 20 30 DEEDHN O=C(C[C@@H]1CCOC1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000329434431 539921036 /nfs/dbraw/zinc/92/10/36/539921036.db2.gz IOBNUZGVDCVNPX-YOEHRIQHSA-N 0 3 318.417 2.136 20 30 DEEDHN C[C@@H](NCC(=O)NC1CCN(C2CC2)CC1)c1ccccn1 ZINC000329492804 539921645 /nfs/dbraw/zinc/92/16/45/539921645.db2.gz ZUKKNTOINOBMIC-CYBMUJFWSA-N 0 3 302.422 2.316 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000329760969 539929122 /nfs/dbraw/zinc/92/91/22/539929122.db2.gz QWKIJUPGHLIYKJ-LSDHHAIUSA-N 0 3 317.437 2.276 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)CCN1C ZINC000329796038 539929474 /nfs/dbraw/zinc/92/94/74/539929474.db2.gz GSJKMOZJFUWWQJ-LALPHHSUSA-N 0 3 318.421 2.151 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)CCN1C ZINC000329796033 539929662 /nfs/dbraw/zinc/92/96/62/539929662.db2.gz GSJKMOZJFUWWQJ-JMSVASOKSA-N 0 3 318.421 2.151 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173580421 198229524 /nfs/dbraw/zinc/22/95/24/198229524.db2.gz GOKBFCJIJCOQKE-UHFFFAOYSA-N 0 3 317.389 2.294 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000595537655 358477038 /nfs/dbraw/zinc/47/70/38/358477038.db2.gz FAMUPWWXMGGGNO-BBRMVZONSA-N 0 3 300.406 2.403 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595544980 358479370 /nfs/dbraw/zinc/47/93/70/358479370.db2.gz CWASZUWBEIRZKQ-BZUAXINKSA-N 0 3 306.454 2.442 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H](c2ccccc2)N(C)C)c1O ZINC000005110738 353993374 /nfs/dbraw/zinc/99/33/74/353993374.db2.gz RXHZSCCIHDNSLA-AEUYPJEVSA-N 0 3 313.401 2.310 20 30 DEEDHN CC(C)N(CCNS(=O)(=O)Cc1ccc(C#N)cc1)C(C)C ZINC000012141080 354023795 /nfs/dbraw/zinc/02/37/95/354023795.db2.gz UTPFDPIKUGCDPH-UHFFFAOYSA-N 0 3 323.462 2.096 20 30 DEEDHN N#Cc1cccc(CNCCN2CCN(c3ccccc3)CC2)c1 ZINC000030637181 354127593 /nfs/dbraw/zinc/12/75/93/354127593.db2.gz MUZQCBMZMZTJSR-UHFFFAOYSA-N 0 3 320.440 2.470 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(N)=O)cc2)n1 ZINC000041517245 354174971 /nfs/dbraw/zinc/17/49/71/354174971.db2.gz GAAVSDXNQPTWCG-LLVKDONJSA-N 0 3 300.343 2.432 20 30 DEEDHN CN(C)CCN(CCCc1ccccc1)c1cc(C#N)ncn1 ZINC000617959912 363331258 /nfs/dbraw/zinc/33/12/58/363331258.db2.gz AYVHDHNUBBTFHT-UHFFFAOYSA-N 0 3 309.417 2.349 20 30 DEEDHN C[C@H]1C[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047097853 354305618 /nfs/dbraw/zinc/30/56/18/354305618.db2.gz LPHZBQHQXVZTCH-WMLDXEAASA-N 0 3 314.433 2.287 20 30 DEEDHN CN(C)CCOc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 ZINC000047673061 354327241 /nfs/dbraw/zinc/32/72/41/354327241.db2.gz FFNVTTXMYNFQHI-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN CN(C)CCOc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 ZINC000053991960 354449432 /nfs/dbraw/zinc/44/94/32/354449432.db2.gz KGOUGFPZJIWCND-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccc(C#N)cc1 ZINC000055401497 354496621 /nfs/dbraw/zinc/49/66/21/354496621.db2.gz XGCXQXQGRHYEGF-LSDHHAIUSA-N 0 3 315.417 2.174 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(OC)c(F)c2)CC1 ZINC000066921331 354739558 /nfs/dbraw/zinc/73/95/58/354739558.db2.gz AIJDADFFTOWJJJ-UHFFFAOYSA-N 0 3 308.328 2.257 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(OC)CC1 ZINC000073182509 354946723 /nfs/dbraw/zinc/94/67/23/354946723.db2.gz SGYMYNSVPSDXRM-MRXNPFEDSA-N 0 3 305.418 2.266 20 30 DEEDHN N#Cc1c[nH]c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000086238980 355499563 /nfs/dbraw/zinc/49/95/63/355499563.db2.gz DNYXCDAUKQBLBN-UHFFFAOYSA-N 0 3 324.384 2.095 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000091478250 355598056 /nfs/dbraw/zinc/59/80/56/355598056.db2.gz YGKZIECWKPIPPF-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=CCCC[C@H](C)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000091594661 355602479 /nfs/dbraw/zinc/60/24/79/355602479.db2.gz OECDXLBWFXHOOS-GJZGRUSLSA-N 0 3 300.468 2.231 20 30 DEEDHN C=C(Cl)COc1ccc([C@@H](C)NCC2(CO)COC2)cc1 ZINC000090606411 355564002 /nfs/dbraw/zinc/56/40/02/355564002.db2.gz BLVJINRUMDGPHD-CYBMUJFWSA-N 0 3 311.809 2.477 20 30 DEEDHN C=CCCOCCN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000090884061 355569089 /nfs/dbraw/zinc/56/90/89/355569089.db2.gz JVXXMYQHQACZEM-HKUYNNGSSA-N 0 3 318.461 2.458 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC(N)=O)C1CCCCC1 ZINC000182072444 356107968 /nfs/dbraw/zinc/10/79/68/356107968.db2.gz XFAWFNLHAUOCGY-GOEBONIOSA-N 0 3 323.481 2.213 20 30 DEEDHN Cc1ccccc1CN1CCC(NC(=O)NC[C@@H](C)C#N)CC1 ZINC000182464884 356128462 /nfs/dbraw/zinc/12/84/62/356128462.db2.gz RXSRKLUYGDGIDQ-AWEZNQCLSA-N 0 3 314.433 2.418 20 30 DEEDHN Cc1c([C@H](C)NCCC(=O)Nc2sccc2C#N)cnn1C ZINC000183375893 356170057 /nfs/dbraw/zinc/17/00/57/356170057.db2.gz SDZUVZZCUDLBQO-JTQLQIEISA-N 0 3 317.418 2.341 20 30 DEEDHN Cc1c([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)cnn1C ZINC000183462278 356172816 /nfs/dbraw/zinc/17/28/16/356172816.db2.gz UULPEFPGSLKTMK-GFCCVEGCSA-N 0 3 311.389 2.280 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000182621594 356134734 /nfs/dbraw/zinc/13/47/34/356134734.db2.gz ZJGOCGQRWCZWSA-ZIAGYGMSSA-N 0 3 320.462 2.419 20 30 DEEDHN COC(=O)C[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000315588670 356424699 /nfs/dbraw/zinc/42/46/99/356424699.db2.gz NTHJYWURSREKLK-HNNXBMFYSA-N 0 3 302.374 2.355 20 30 DEEDHN CCOC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000316677745 356430202 /nfs/dbraw/zinc/43/02/02/356430202.db2.gz UZGZACCLWVKFAI-UHFFFAOYSA-N 0 3 301.390 2.388 20 30 DEEDHN C=C[C@@H](C(=O)OC)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000323392863 356456365 /nfs/dbraw/zinc/45/63/65/356456365.db2.gz LBIOJPAQHSVTRN-WBVHZDCISA-N 0 3 302.418 2.168 20 30 DEEDHN C=CCN1CCC(NC(=O)c2occc2Br)CC1 ZINC000081751178 192319933 /nfs/dbraw/zinc/31/99/33/192319933.db2.gz LTJVOOJWOPYFTH-UHFFFAOYSA-N 0 3 313.195 2.422 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(c2)CCS3(=O)=O)C1 ZINC000618572060 363530441 /nfs/dbraw/zinc/53/04/41/363530441.db2.gz PAWHKMKYQIQCJU-DOMZBBRYSA-N 0 3 304.415 2.188 20 30 DEEDHN C[C@@H](CNC(=O)Nc1cccc(C#N)n1)N1CCC[C@@H](C)C1 ZINC000579830152 357037881 /nfs/dbraw/zinc/03/78/81/357037881.db2.gz NISLXPWMIMBDQQ-OLZOCXBDSA-N 0 3 301.394 2.195 20 30 DEEDHN Cc1c(Br)cccc1CNC(=O)[C@@H](N)CCCC#N ZINC000581953004 357275203 /nfs/dbraw/zinc/27/52/03/357275203.db2.gz BLYILNBFWWCOKU-ZDUSSCGKSA-N 0 3 324.222 2.395 20 30 DEEDHN Cc1c(Br)cccc1CNC(=O)[C@H](N)CCCC#N ZINC000581953003 357275417 /nfs/dbraw/zinc/27/54/17/357275417.db2.gz BLYILNBFWWCOKU-CYBMUJFWSA-N 0 3 324.222 2.395 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)Cc1c(F)cccc1C#N ZINC000586782910 357369279 /nfs/dbraw/zinc/36/92/79/357369279.db2.gz QFHOHCAWYFFQMZ-CQSZACIVSA-N 0 3 303.381 2.230 20 30 DEEDHN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccnc(C#N)c1 ZINC000588025450 357389708 /nfs/dbraw/zinc/38/97/08/357389708.db2.gz SDJWQHULQQBIHQ-KBXCAEBGSA-N 0 3 324.432 2.206 20 30 DEEDHN N#CCCCCCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000588158819 357398614 /nfs/dbraw/zinc/39/86/14/357398614.db2.gz QFCBRYJMCHHRTF-UHFFFAOYSA-N 0 3 307.438 2.031 20 30 DEEDHN N#CCCCCCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000588280660 357404531 /nfs/dbraw/zinc/40/45/31/357404531.db2.gz MOSWPMLJYJUDMF-INIZCTEOSA-N 0 3 307.438 2.174 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000588913371 357433387 /nfs/dbraw/zinc/43/33/87/357433387.db2.gz YWXGDAJUPIQHJN-PBHICJAKSA-N 0 3 318.396 2.154 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3c1cnn3CCO)CC2 ZINC000589337918 357465515 /nfs/dbraw/zinc/46/55/15/357465515.db2.gz HKQIVXLRSXWYTJ-QZTJIDSGSA-N 0 3 322.412 2.402 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000589621359 357484326 /nfs/dbraw/zinc/48/43/26/357484326.db2.gz APPQWVUWQMBSEK-PBHICJAKSA-N 0 3 320.396 2.346 20 30 DEEDHN Cc1nc(CN2CCN(CCC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000591020952 357662137 /nfs/dbraw/zinc/66/21/37/357662137.db2.gz IVKFBAUPSLUMDN-UHFFFAOYSA-N 0 3 316.453 2.095 20 30 DEEDHN C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H](C)CN1 ZINC000591358303 357713545 /nfs/dbraw/zinc/71/35/45/357713545.db2.gz ZLISDJDTQFYXMB-GHMZBOCLSA-N 0 3 306.797 2.103 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000662083597 540326802 /nfs/dbraw/zinc/32/68/02/540326802.db2.gz HDSQTHCBOCMSSV-IXDOHACOSA-N 0 3 312.413 2.289 20 30 DEEDHN CC[C@H](C)C[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592875701 357967508 /nfs/dbraw/zinc/96/75/08/357967508.db2.gz VFQYAIVGWBWAAJ-XKQJLSEDSA-N 0 3 313.401 2.154 20 30 DEEDHN CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1cccc(OC)c1 ZINC000593411418 358072370 /nfs/dbraw/zinc/07/23/70/358072370.db2.gz INYUKLCKLAWISU-DOMZBBRYSA-N 0 3 318.373 2.355 20 30 DEEDHN CC(C)(C#N)CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000593389424 358067009 /nfs/dbraw/zinc/06/70/09/358067009.db2.gz WRQWBKTWHGQYAB-SFHVURJKSA-N 0 3 314.433 2.500 20 30 DEEDHN CC(C)(C#N)CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000593389423 358067234 /nfs/dbraw/zinc/06/72/34/358067234.db2.gz WRQWBKTWHGQYAB-GOSISDBHSA-N 0 3 314.433 2.500 20 30 DEEDHN CN(Cc1ccc(C#N)s1)CC(C)(C)CN1CCOCC1 ZINC000180041044 199110969 /nfs/dbraw/zinc/11/09/69/199110969.db2.gz KTPBHHDXIVJPOU-UHFFFAOYSA-N 0 3 307.463 2.410 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000593456509 358083058 /nfs/dbraw/zinc/08/30/58/358083058.db2.gz CMYPNDDURPBDLK-DLBZAZTESA-N 0 3 314.433 2.444 20 30 DEEDHN Cn1cc(CN2CCC(C)(O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180165759 199126271 /nfs/dbraw/zinc/12/62/71/199126271.db2.gz XIEYZBITXIOKGV-UHFFFAOYSA-N 0 3 310.401 2.306 20 30 DEEDHN Cn1cc(CN2CCC[C@](C)(O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180185873 199127641 /nfs/dbraw/zinc/12/76/41/199127641.db2.gz MGGSUZBHUSXURF-SFHVURJKSA-N 0 3 310.401 2.306 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccccc2F)CCC1 ZINC000593912974 358170370 /nfs/dbraw/zinc/17/03/70/358170370.db2.gz VFBLJBOWRPEBBB-HNNXBMFYSA-N 0 3 303.381 2.385 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000594038070 358193934 /nfs/dbraw/zinc/19/39/34/358193934.db2.gz GWKDWVPREYDREK-DNVCBOLYSA-N 0 3 311.429 2.291 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000594371369 358250576 /nfs/dbraw/zinc/25/05/76/358250576.db2.gz HBPJKYYDZWGGCB-JCGIZDLHSA-N 0 3 311.429 2.289 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000594428843 358267084 /nfs/dbraw/zinc/26/70/84/358267084.db2.gz PPZZKUXGXKBMLU-CQSZACIVSA-N 0 3 315.352 2.361 20 30 DEEDHN Cc1cccc(OCCN(C)C(=O)[C@H](N)CCCCC#N)c1 ZINC000594430350 358267989 /nfs/dbraw/zinc/26/79/89/358267989.db2.gz ZWLFXFNMOFUZNX-MRXNPFEDSA-N 0 3 303.406 2.244 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000594440342 358271689 /nfs/dbraw/zinc/27/16/89/358271689.db2.gz XYVXKHYOYKFDBV-HUUCEWRRSA-N 0 3 301.390 2.428 20 30 DEEDHN COC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)c(C#N)n1 ZINC000594601827 358302847 /nfs/dbraw/zinc/30/28/47/358302847.db2.gz OLMMTOLZKWCGON-XJKSGUPXSA-N 0 3 314.389 2.169 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC#N)C2)cc1 ZINC000594807021 358340823 /nfs/dbraw/zinc/34/08/23/358340823.db2.gz SSZCQEBIXFHAJE-AWEZNQCLSA-N 0 3 321.446 2.063 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1[C@@H](C)CO ZINC000595675471 358518857 /nfs/dbraw/zinc/51/88/57/358518857.db2.gz NBQKFWMBAVANFA-GOEBONIOSA-N 0 3 318.417 2.429 20 30 DEEDHN Cc1cc(CN(CCN2CCOCC2)CC2CC2)ccc1C#N ZINC000595810420 358554013 /nfs/dbraw/zinc/55/40/13/358554013.db2.gz XHXOHSHMVNCCDA-UHFFFAOYSA-N 0 3 313.445 2.411 20 30 DEEDHN CCSC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000596065206 358601684 /nfs/dbraw/zinc/60/16/84/358601684.db2.gz GISRSECNRZMCJK-UHFFFAOYSA-N 0 3 324.471 2.207 20 30 DEEDHN CCc1nc(C#N)cc(N(CCN(C)C)Cc2ccccc2)n1 ZINC000596157855 358625124 /nfs/dbraw/zinc/62/51/24/358625124.db2.gz ICLGBEXWOLCOCQ-UHFFFAOYSA-N 0 3 309.417 2.479 20 30 DEEDHN CCn1cc(C2CCN(C[C@H](O)CC(C)(C)C#N)CC2)cn1 ZINC000598590105 359251687 /nfs/dbraw/zinc/25/16/87/359251687.db2.gz KEFAOOBCSKRUOG-MRXNPFEDSA-N 0 3 304.438 2.383 20 30 DEEDHN CC(C)C[C@H]([NH2+]C[C@H](C)CCC#N)c1nc(-c2nc[n-]n2)no1 ZINC000618888042 363624372 /nfs/dbraw/zinc/62/43/72/363624372.db2.gz QLSIPDNIKVBXFA-NEPJUHHUSA-N 0 3 317.397 2.471 20 30 DEEDHN CCN(CC)c1ccc(CNC[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598715937 359303343 /nfs/dbraw/zinc/30/33/43/359303343.db2.gz VKPDGJFGURDHMF-HNNXBMFYSA-N 0 3 304.438 2.318 20 30 DEEDHN CN(C)C(=O)Nc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598718162 359304191 /nfs/dbraw/zinc/30/41/91/359304191.db2.gz CGJIWEWGKPEFJP-HNNXBMFYSA-N 0 3 318.421 2.170 20 30 DEEDHN CC(=O)N1CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000598726405 359306741 /nfs/dbraw/zinc/30/67/41/359306741.db2.gz SPNOTRXERGTBRP-GDBMZVCRSA-N 0 3 315.417 2.375 20 30 DEEDHN COc1cccc([C@@H]2C[C@H](O)CN2C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598619951 359263161 /nfs/dbraw/zinc/26/31/61/359263161.db2.gz QJMWGVLKLSKEFA-ZOBUZTSGSA-N 0 3 318.417 2.104 20 30 DEEDHN CC1(C)CC[C@@H](CO)N(CCC(=O)Nc2sccc2C#N)C1 ZINC000598647042 359274314 /nfs/dbraw/zinc/27/43/14/359274314.db2.gz JTILUCFSXGFDTE-ZDUSSCGKSA-N 0 3 321.446 2.431 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccco2)C1 ZINC000599290758 359451299 /nfs/dbraw/zinc/45/12/99/359451299.db2.gz ANARBDJNTKYTOQ-HZPDHXFCSA-N 0 3 312.369 2.380 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1F ZINC000599631359 359548927 /nfs/dbraw/zinc/54/89/27/359548927.db2.gz YXKLQCLVHXYWCO-WBVHZDCISA-N 0 3 313.332 2.418 20 30 DEEDHN COC(=O)[C@@H]1CN(CCCSCC#N)Cc2ccccc21 ZINC000599681994 359570079 /nfs/dbraw/zinc/57/00/79/359570079.db2.gz USWXHGUHCCMWOL-OAHLLOKOSA-N 0 3 304.415 2.406 20 30 DEEDHN CCC(C#N)(CC)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000599763336 359592822 /nfs/dbraw/zinc/59/28/22/359592822.db2.gz SRYPQASGAJDCKF-KBPBESRZSA-N 0 3 309.479 2.355 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](n2cccn2)C1 ZINC000428555276 237190646 /nfs/dbraw/zinc/19/06/46/237190646.db2.gz AKDDYKLREXZJIZ-IRXDYDNUSA-N 0 3 308.385 2.429 20 30 DEEDHN C=CCCn1cc(CN(CCN(C)C)Cc2ccco2)nn1 ZINC000668164097 540603538 /nfs/dbraw/zinc/60/35/38/540603538.db2.gz NYYXDJCVUHDCDW-UHFFFAOYSA-N 0 3 303.410 2.011 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)C2(N)CCCCC2)cc1 ZINC000237806002 202360097 /nfs/dbraw/zinc/36/00/97/202360097.db2.gz HTYFEGZBBMQJIV-UHFFFAOYSA-N 0 3 301.390 2.203 20 30 DEEDHN CC(C)CCN(CCC#N)S(=O)(=O)CCCN1CCCC1 ZINC000601336800 360011897 /nfs/dbraw/zinc/01/18/97/360011897.db2.gz LXLZPMPVWNBUTO-UHFFFAOYSA-N 0 3 315.483 2.064 20 30 DEEDHN Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc(C#N)n3C)C2)c1 ZINC000601850701 360174214 /nfs/dbraw/zinc/17/42/14/360174214.db2.gz FCBOKAXQNKESAA-MRXNPFEDSA-N 0 3 322.412 2.210 20 30 DEEDHN CN(C)CCOc1cc(C(=O)N(C)c2ccccc2C#N)ccn1 ZINC000602285375 360329593 /nfs/dbraw/zinc/32/95/93/360329593.db2.gz WUICJOJWRZRYEZ-UHFFFAOYSA-N 0 3 324.384 2.170 20 30 DEEDHN CN(C)CCOc1cc(C(=O)N(CC#N)c2ccccc2)ccn1 ZINC000602252077 360323359 /nfs/dbraw/zinc/32/33/59/360323359.db2.gz ORMRXBAXGJKERN-UHFFFAOYSA-N 0 3 324.384 2.192 20 30 DEEDHN N#Cc1cccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)n1 ZINC000602678802 360494079 /nfs/dbraw/zinc/49/40/79/360494079.db2.gz ZGOQECFBNFHTNY-GOSISDBHSA-N 0 3 308.385 2.132 20 30 DEEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC1(CC#N)CC1 ZINC000602769276 360543816 /nfs/dbraw/zinc/54/38/16/360543816.db2.gz UDALJYXDSDSPAX-LBPRGKRZSA-N 0 3 307.419 2.021 20 30 DEEDHN CC[C@H](N)c1cn(Cc2ccc(Br)cc2C#N)nn1 ZINC000603241811 360762071 /nfs/dbraw/zinc/76/20/71/360762071.db2.gz NTGNFNYYYVVAQY-LBPRGKRZSA-N 0 3 320.194 2.370 20 30 DEEDHN C=CCCOCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000272005875 209377986 /nfs/dbraw/zinc/37/79/86/209377986.db2.gz VDSKWUXTJSKGDE-INIZCTEOSA-N 0 3 319.449 2.399 20 30 DEEDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271988001 209362526 /nfs/dbraw/zinc/36/25/26/209362526.db2.gz YPTCXOJDFODOEK-SMDDNHRTSA-N 0 3 304.369 2.152 20 30 DEEDHN N#CCn1c(C(=O)N[C@H]2CCN(C3CC3)C2)cc2ccccc21 ZINC000609201793 361289204 /nfs/dbraw/zinc/28/92/04/361289204.db2.gz ZIJYXFNNOMCSLQ-AWEZNQCLSA-N 0 3 308.385 2.131 20 30 DEEDHN CCN(C[C@H]1CCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619364549 363773052 /nfs/dbraw/zinc/77/30/52/363773052.db2.gz IQXPZCUBEJDWBI-IAGOWNOFSA-N 0 3 311.385 2.126 20 30 DEEDHN CC[C@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000610371913 361391354 /nfs/dbraw/zinc/39/13/54/361391354.db2.gz TYVWTBMAJXKPDE-WBVHZDCISA-N 0 3 320.458 2.320 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc(C#N)c1 ZINC000610406566 361395605 /nfs/dbraw/zinc/39/56/05/361395605.db2.gz DNTZUGCLTTVQFM-WMLDXEAASA-N 0 3 312.417 2.499 20 30 DEEDHN CCc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)ncn1 ZINC000610734598 361454906 /nfs/dbraw/zinc/45/49/06/361454906.db2.gz XXXXGBXNHQULBE-UHFFFAOYSA-N 0 3 309.417 2.479 20 30 DEEDHN CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000610947071 361495803 /nfs/dbraw/zinc/49/58/03/361495803.db2.gz FKYDZRLILMXLOG-YOEHRIQHSA-N 0 3 303.381 2.434 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000611205029 361548651 /nfs/dbraw/zinc/54/86/51/361548651.db2.gz HBPPMVKOKPDAHH-JSGCOSHPSA-N 0 3 319.405 2.454 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000611205265 361549476 /nfs/dbraw/zinc/54/94/76/361549476.db2.gz RGELPCBZAXIALT-WBVHZDCISA-N 0 3 313.401 2.022 20 30 DEEDHN N#CCCN(C(=O)CNC1(CO)CCCCC1)c1ccccc1 ZINC000611463039 361603095 /nfs/dbraw/zinc/60/30/95/361603095.db2.gz PLNZGVRMQXQXIM-UHFFFAOYSA-N 0 3 315.417 2.218 20 30 DEEDHN Cn1cc(CN(CCCO)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000611518506 361620807 /nfs/dbraw/zinc/62/08/07/361620807.db2.gz JAJPFKYBFGSUFS-UHFFFAOYSA-N 0 3 310.401 2.306 20 30 DEEDHN CC(C)(C#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611622978 361647080 /nfs/dbraw/zinc/64/70/80/361647080.db2.gz QIWCUBFKAOSFPH-OAHLLOKOSA-N 0 3 300.406 2.110 20 30 DEEDHN C=C[C@@H](O)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000611841415 361693051 /nfs/dbraw/zinc/69/30/51/361693051.db2.gz YGFHMSFTGBTZPJ-MJGOQNOKSA-N 0 3 314.429 2.048 20 30 DEEDHN Cc1ccncc1[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000611939163 361707613 /nfs/dbraw/zinc/70/76/13/361707613.db2.gz OPQHDGNAEVKETC-GDBMZVCRSA-N 0 3 311.385 2.352 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(CO)CCCCC2)CC1 ZINC000674625837 541231068 /nfs/dbraw/zinc/23/10/68/541231068.db2.gz NJWLMACWHJHLEI-UHFFFAOYSA-N 0 3 323.481 2.269 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCC2(C#N)CC2)c1 ZINC000619533716 363819589 /nfs/dbraw/zinc/81/95/89/363819589.db2.gz HPQDHLCMTUEEDW-UHFFFAOYSA-N 0 3 314.433 2.372 20 30 DEEDHN N#Cc1ccc([C@H](N[C@H]2CCCC23CCOCC3)C(N)=O)cc1 ZINC000619723131 363866906 /nfs/dbraw/zinc/86/69/06/363866906.db2.gz BXRBVMNTDKLVSQ-HOTGVXAUSA-N 0 3 313.401 2.024 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(CCC)C2)cc1 ZINC000619904618 363901777 /nfs/dbraw/zinc/90/17/77/363901777.db2.gz OASRJHONLDWCPN-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[C@H]2CCOC2)CC1 ZINC000675308344 541317114 /nfs/dbraw/zinc/31/71/14/541317114.db2.gz KKYGBVPTPOHIFX-LSDHHAIUSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C[C@@H]2CCOC2)CC1 ZINC000675308341 541317183 /nfs/dbraw/zinc/31/71/83/541317183.db2.gz KKYGBVPTPOHIFX-CABCVRRESA-N 0 3 309.454 2.141 20 30 DEEDHN CS[C@H]1CN(c2nc(C)ccc2C#N)C[C@H]1N1CCCC1 ZINC000275470194 212353700 /nfs/dbraw/zinc/35/37/00/212353700.db2.gz NUDPLUVHZHQFMB-CABCVRRESA-N 0 3 302.447 2.278 20 30 DEEDHN O[C@@H]1CCC[C@@H]1N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000676715251 541488334 /nfs/dbraw/zinc/48/83/34/541488334.db2.gz VLCGYUMZRWLKGB-ZWKOTPCHSA-N 0 3 318.848 2.223 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000275286060 212250420 /nfs/dbraw/zinc/25/04/20/212250420.db2.gz XATJXXWWFHQHMB-APHBMKBZSA-N 0 3 301.390 2.432 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000450693922 242101218 /nfs/dbraw/zinc/10/12/18/242101218.db2.gz FTRNZAKYPMJIIG-PQEBFOHHSA-N 0 3 302.418 2.385 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(C[C@H]2CCCO2)CC1)OCC ZINC000677301612 541571764 /nfs/dbraw/zinc/57/17/64/541571764.db2.gz UGNHGDNPYPPBCF-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)OCc2ccncc2)CC1 ZINC000630941710 367924602 /nfs/dbraw/zinc/92/46/02/367924602.db2.gz DOXAFILLVZCIKY-HNNXBMFYSA-N 0 3 317.433 2.143 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000451478064 243012744 /nfs/dbraw/zinc/01/27/44/243012744.db2.gz ISYGHWGAUDHWHU-JKSUJKDBSA-N 0 3 313.401 2.434 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000678049040 541668945 /nfs/dbraw/zinc/66/89/45/541668945.db2.gz BGYXDWZHYGTLES-NVXWUHKLSA-N 0 3 302.418 2.065 20 30 DEEDHN COc1cc(CN2CCC(Cn3cncn3)CC2)ccc1C#N ZINC000282453465 217007262 /nfs/dbraw/zinc/00/72/62/217007262.db2.gz VELYTONNNAIZMN-UHFFFAOYSA-N 0 3 311.389 2.071 20 30 DEEDHN C=C(C)Cn1c(C)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453451433 245146363 /nfs/dbraw/zinc/14/63/63/245146363.db2.gz JRTFKODFWCAMSH-IJEWVQPXSA-N 0 3 303.454 2.329 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)NC1CCN(CC)CC1 ZINC000266106117 205102338 /nfs/dbraw/zinc/10/23/38/205102338.db2.gz LQMAMTKHULLVJW-UHFFFAOYSA-N 0 3 319.380 2.444 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(=O)OCC ZINC000456626860 247322830 /nfs/dbraw/zinc/32/28/30/247322830.db2.gz LZOXTIZANYJNSE-AJNGGQMLSA-N 0 3 310.438 2.262 20 30 DEEDHN CN(C)CCOc1cc(C(=O)Nc2cccc(CC#N)c2)ccn1 ZINC000456751220 247397330 /nfs/dbraw/zinc/39/73/30/247397330.db2.gz NEUUWKIFQCXUKP-UHFFFAOYSA-N 0 3 324.384 2.340 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000680991713 542078893 /nfs/dbraw/zinc/07/88/93/542078893.db2.gz 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303.366 2.312 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000178308660 402483385 /nfs/dbraw/zinc/48/33/85/402483385.db2.gz DDUVZZMBIFNLMC-UHFFFAOYSA-N 0 3 308.809 2.355 20 30 DEEDHN CC[C@@]1(CO)CCCN1CCOc1ccc(C#N)cc1OC ZINC000189613430 402547832 /nfs/dbraw/zinc/54/78/32/402547832.db2.gz BWXQQHIKFXLDOO-KRWDZBQOSA-N 0 3 304.390 2.183 20 30 DEEDHN C=CCN1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000178887676 402551049 /nfs/dbraw/zinc/55/10/49/402551049.db2.gz DEGRDXODAPVFOT-AWEZNQCLSA-N 0 3 321.446 2.375 20 30 DEEDHN C[C@@H](NCCCC#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179658246 402597050 /nfs/dbraw/zinc/59/70/50/402597050.db2.gz GDSMKACMLGPRDI-CYBMUJFWSA-N 0 3 301.390 2.298 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000171715135 402613745 /nfs/dbraw/zinc/61/37/45/402613745.db2.gz FCBLMPPPNOGWPX-INIZCTEOSA-N 0 3 300.402 2.319 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(OCCOC)c2)CC1 ZINC000171715586 402613984 /nfs/dbraw/zinc/61/39/84/402613984.db2.gz CFTDVTGRRZYPGB-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000171722811 402614810 /nfs/dbraw/zinc/61/48/10/402614810.db2.gz VRUVXXFFLVATPE-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCN1CCC(NC(=O)CCn2cnc3ccccc32)CC1 ZINC000171723302 402614875 /nfs/dbraw/zinc/61/48/75/402614875.db2.gz GOIQOTYGUZYAJG-UHFFFAOYSA-N 0 3 312.417 2.193 20 30 DEEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)[C@H](C)c1ccccc1 ZINC000181521819 402647840 /nfs/dbraw/zinc/64/78/40/402647840.db2.gz DQNCSLSWJAKUGS-JKSUJKDBSA-N 0 3 312.417 2.424 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)cc1 ZINC000192244198 402719438 /nfs/dbraw/zinc/71/94/38/402719438.db2.gz NBPIIRRPUQVGLG-KRWDZBQOSA-N 0 3 321.380 2.155 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2nc(C)c(C)s2)CC1 ZINC000173199518 402688380 /nfs/dbraw/zinc/68/83/80/402688380.db2.gz REBAJPDVUBCSFV-UHFFFAOYSA-N 0 3 308.451 2.210 20 30 DEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(F)c1 ZINC000173415154 402696510 /nfs/dbraw/zinc/69/65/10/402696510.db2.gz WVLJHVFTQXMFSK-JRELAMLQSA-N 0 3 321.327 2.142 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@H](CO)c1ccccc1 ZINC000182920680 402727389 /nfs/dbraw/zinc/72/73/89/402727389.db2.gz OUFOXKAMLUQRPF-MRXNPFEDSA-N 0 3 312.369 2.269 20 30 DEEDHN C=CCCS(=O)(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183023831 402733711 /nfs/dbraw/zinc/73/37/11/402733711.db2.gz XDMXZOBSYVZDDM-UONOGXRCSA-N 0 3 300.468 2.135 20 30 DEEDHN CC(C)(C)[C@@H](CO)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192774460 402749341 /nfs/dbraw/zinc/74/93/41/402749341.db2.gz GRHWQXNRWLNWPG-HZPDHXFCSA-N 0 3 315.417 2.050 20 30 DEEDHN C#CCN1CCC(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000194053446 402782865 /nfs/dbraw/zinc/78/28/65/402782865.db2.gz MBTHAVZSJDCNGM-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000175099757 402779220 /nfs/dbraw/zinc/77/92/20/402779220.db2.gz CISVRCIJVCQECH-QGZVFWFLSA-N 0 3 308.385 2.453 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cncnc1C)C(C)C ZINC000263938430 402822569 /nfs/dbraw/zinc/82/25/69/402822569.db2.gz GLRLMXBYAWPKPI-MRXNPFEDSA-N 0 3 302.422 2.213 20 30 DEEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(N3CCOCC3)n2)C1 ZINC000278680453 402869499 /nfs/dbraw/zinc/86/94/99/402869499.db2.gz JUZGBPMSSZFVSE-LSDHHAIUSA-N 0 3 300.406 2.090 20 30 DEEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(C#N)cc1 ZINC000278717524 402870092 /nfs/dbraw/zinc/87/00/92/402870092.db2.gz MANKIFVCMBSLPK-DVEDPGPFSA-N 0 3 324.384 2.125 20 30 DEEDHN CN(CCOc1ccccc1C#N)C[C@@H](O)Cc1ccccc1 ZINC000264521896 402886232 /nfs/dbraw/zinc/88/62/32/402886232.db2.gz VPPVIBGKNXXDRT-SFHVURJKSA-N 0 3 310.397 2.472 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000272477412 402941810 /nfs/dbraw/zinc/94/18/10/402941810.db2.gz LTGBBWDOJXHUKC-RHSMWYFYSA-N 0 3 309.413 2.408 20 30 DEEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCN(C)CC1 ZINC000265719129 402943275 /nfs/dbraw/zinc/94/32/75/402943275.db2.gz KQDIJMNQQGRCJQ-GFCCVEGCSA-N 0 3 320.824 2.176 20 30 DEEDHN C#CC[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000272543114 402951190 /nfs/dbraw/zinc/95/11/90/402951190.db2.gz HHBAHEQLJVRVJH-SQNIBIBYSA-N 0 3 311.429 2.487 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CCCC[C@@H]1O ZINC000272557723 402952843 /nfs/dbraw/zinc/95/28/43/402952843.db2.gz PKQBPQZWMRMDGZ-HOTGVXAUSA-N 0 3 318.417 2.429 20 30 DEEDHN COC[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000272246788 402913954 /nfs/dbraw/zinc/91/39/54/402913954.db2.gz ULMIDWCYVUPUCT-IAGOWNOFSA-N 0 3 315.417 2.314 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000279273844 402924828 /nfs/dbraw/zinc/92/48/28/402924828.db2.gz AZGHFIBCHGUFPX-BVGQSLNGSA-N 0 3 323.396 2.266 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000279295533 402927605 /nfs/dbraw/zinc/92/76/05/402927605.db2.gz YQCSHEJKHIRBEV-WMZOPIPTSA-N 0 3 302.418 2.267 20 30 DEEDHN CCC1(O)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280374610 402993371 /nfs/dbraw/zinc/99/33/71/402993371.db2.gz MGNBNKRVRBCBRL-MRXNPFEDSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273374770 402999156 /nfs/dbraw/zinc/99/91/56/402999156.db2.gz BHKAGCSGTJERGM-LBPRGKRZSA-N 0 3 312.391 2.313 20 30 DEEDHN Cc1c([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cnn1C ZINC000280482959 403004430 /nfs/dbraw/zinc/00/44/30/403004430.db2.gz PTHYSMDKQDCUTN-LRDDRELGSA-N 0 3 321.384 2.160 20 30 DEEDHN C=CCCCNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000280221487 402976908 /nfs/dbraw/zinc/97/69/08/402976908.db2.gz XAAFRMXIROUTPW-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000280710276 403029034 /nfs/dbraw/zinc/02/90/34/403029034.db2.gz UCANRNVEENGIKV-BZNIZROVSA-N 0 3 322.361 2.380 20 30 DEEDHN C=CCN1CCC(NC(=O)c2sccc2CN(C)C)CC1 ZINC000268122690 403050842 /nfs/dbraw/zinc/05/08/42/403050842.db2.gz NXRMAOMJPPPNGT-UHFFFAOYSA-N 0 3 307.463 2.190 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281210100 403060592 /nfs/dbraw/zinc/06/05/92/403060592.db2.gz DBJJCLYFHDCGOE-KURKYZTESA-N 0 3 323.396 2.338 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000274522352 403063634 /nfs/dbraw/zinc/06/36/34/403063634.db2.gz PIAVLJIAAYDCCT-XIRDDKMYSA-N 0 3 314.429 2.098 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@H](COc3ccccc3)C2)C1=O ZINC000281514093 403070474 /nfs/dbraw/zinc/07/04/74/403070474.db2.gz YXNAPYAZAWOCDK-DOTOQJQBSA-N 0 3 300.402 2.174 20 30 DEEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274631269 403073279 /nfs/dbraw/zinc/07/32/79/403073279.db2.gz OZULTTQEFIETHX-GUTXKFCHSA-N 0 3 321.446 2.280 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000281659701 403079174 /nfs/dbraw/zinc/07/91/74/403079174.db2.gz KRKNACWXKWNROR-FUHWJXTLSA-N 0 3 318.417 2.223 20 30 DEEDHN C=C(C)CCN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274729888 403082334 /nfs/dbraw/zinc/08/23/34/403082334.db2.gz HYSCZLKZBYISHE-SFHVURJKSA-N 0 3 313.401 2.149 20 30 DEEDHN COCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000281879472 403100961 /nfs/dbraw/zinc/10/09/61/403100961.db2.gz BFWSTQHDJGNXKB-MRXNPFEDSA-N 0 3 311.385 2.173 20 30 DEEDHN C=CCN1CC[C@H](N(CCCc2ccccc2)CCOC)C1=O ZINC000281895591 403102096 /nfs/dbraw/zinc/10/20/96/403102096.db2.gz FDNRTOFBFQOSIY-SFHVURJKSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1N1CCOCC1 ZINC000268682063 403105948 /nfs/dbraw/zinc/10/59/48/403105948.db2.gz XFEKQGSRVUDXKP-QGZVFWFLSA-N 0 3 304.434 2.282 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)c1 ZINC000268610412 403098751 /nfs/dbraw/zinc/09/87/51/403098751.db2.gz KTVNPWJQEUSIMB-UHFFFAOYSA-N 0 3 310.401 2.101 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H](CC)c2ccc3c(c2)OCCO3)C1=O ZINC000282052757 403117659 /nfs/dbraw/zinc/11/76/59/403117659.db2.gz RRTSINWDHFDHAD-GJZGRUSLSA-N 0 3 316.401 2.285 20 30 DEEDHN COCCOCCOCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000276298176 403161893 /nfs/dbraw/zinc/16/18/93/403161893.db2.gz VIMPWFLGDYWWSE-OAHLLOKOSA-N 0 3 306.406 2.231 20 30 DEEDHN CN(C)C1(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCC1 ZINC000276037092 403141143 /nfs/dbraw/zinc/14/11/43/403141143.db2.gz SDZXRINKHFASIB-UHFFFAOYSA-N 0 3 315.417 2.316 20 30 DEEDHN CO/N=C/C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000283701654 403216493 /nfs/dbraw/zinc/21/64/93/403216493.db2.gz ILKYFSAWHARDKY-NDTRWUQDSA-N 0 3 303.406 2.130 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000283364283 403192060 /nfs/dbraw/zinc/19/20/60/403192060.db2.gz NMYCTEIZZPQHHY-CVEARBPZSA-N 0 3 316.401 2.060 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000270497671 403196173 /nfs/dbraw/zinc/19/61/73/403196173.db2.gz WALAAPQQHFLICN-KBPBESRZSA-N 0 3 304.419 2.068 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](NCCOc1ccccc1C#N)C(N)=O ZINC000292085122 403286981 /nfs/dbraw/zinc/28/69/81/403286981.db2.gz DWUJKALWLWDROT-RDTXWAMCSA-N 0 3 323.396 2.184 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](NCCOc1ccccc1C#N)C(N)=O ZINC000292085115 403287495 /nfs/dbraw/zinc/28/74/95/403287495.db2.gz DWUJKALWLWDROT-KDOFPFPSSA-N 0 3 323.396 2.184 20 30 DEEDHN C[C@H](NCCC(=O)N(C)CCC#N)[C@@H]1OCCc2sccc21 ZINC000292297293 403347990 /nfs/dbraw/zinc/34/79/90/403347990.db2.gz CWEDJGWIFPJBTN-LRDDRELGSA-N 0 3 321.446 2.102 20 30 DEEDHN CCC[C@@H](C)C(=O)NCCNC(=N)Nc1cc(F)ccc1F ZINC000292333054 403356993 /nfs/dbraw/zinc/35/69/93/403356993.db2.gz NRPLNMZGNZEKHT-SNVBAGLBSA-N 0 3 312.364 2.244 20 30 DEEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000330836777 403309451 /nfs/dbraw/zinc/30/94/51/403309451.db2.gz RNRFILGMKNPJHW-PMPSAXMXSA-N 0 3 302.422 2.295 20 30 DEEDHN CCOC(=O)CCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292180311 403313422 /nfs/dbraw/zinc/31/34/22/403313422.db2.gz MJBNLNSFOJSEGS-OAHLLOKOSA-N 0 3 317.389 2.140 20 30 DEEDHN COC[C@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000342704648 403314524 /nfs/dbraw/zinc/31/45/24/403314524.db2.gz RZVQVEKNSGCVDQ-CVEARBPZSA-N 0 3 321.465 2.466 20 30 DEEDHN Cc1cc(NCc2ccnc(OCCN(C)C)c2)cc(C#N)n1 ZINC000342705999 403315431 /nfs/dbraw/zinc/31/54/31/403315431.db2.gz WQBKHCWYORHUAS-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000342726575 403324289 /nfs/dbraw/zinc/32/42/89/403324289.db2.gz GMWHMCCPVSCHBG-GJZGRUSLSA-N 0 3 318.417 2.181 20 30 DEEDHN COc1ccc([C@@H](CNC(=O)C(C)C#N)N2CCCC2)cc1 ZINC000345664767 403427800 /nfs/dbraw/zinc/42/78/00/403427800.db2.gz NKQZFMKTEHQAEF-XJKSGUPXSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCOC1)C(C)C ZINC000298698212 403442514 /nfs/dbraw/zinc/44/25/14/403442514.db2.gz VKMKDMCEWWMQCH-HZPDHXFCSA-N 0 3 309.454 2.021 20 30 DEEDHN CCOc1ccnc(N2CCCN([C@@H](C)CCC#N)CC2)n1 ZINC000298715447 403445686 /nfs/dbraw/zinc/44/56/86/403445686.db2.gz UIYHFKJRVQAVID-AWEZNQCLSA-N 0 3 303.410 2.080 20 30 DEEDHN C=CCC[C@@H](NCCCN1CCC[C@@H]1C(N)=O)c1ccco1 ZINC000286144255 403459146 /nfs/dbraw/zinc/45/91/46/403459146.db2.gz PDBRIYCEKZYKPF-HUUCEWRRSA-N 0 3 305.422 2.216 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000345811518 403493383 /nfs/dbraw/zinc/49/33/83/403493383.db2.gz HFZAHKZEWJRVKL-KFWWJZLASA-N 0 3 315.417 2.072 20 30 DEEDHN COc1ccc([C@H](O)C2CCN(CCOCCC#N)CC2)cc1 ZINC000293681909 403536935 /nfs/dbraw/zinc/53/69/35/403536935.db2.gz VRCLWYYKOCRCKV-SFHVURJKSA-N 0 3 318.417 2.371 20 30 DEEDHN CN(CCN1CCN(CC2(C#N)CC2)CC1)Cc1ccccc1 ZINC000343316453 403537029 /nfs/dbraw/zinc/53/70/29/403537029.db2.gz BJJSHEMKWWUAOW-UHFFFAOYSA-N 0 3 312.461 2.040 20 30 DEEDHN CC[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 ZINC000332147211 403497337 /nfs/dbraw/zinc/49/73/37/403497337.db2.gz PDANWWVEJVGRDD-BBWFWOEESA-N 0 3 313.401 2.211 20 30 DEEDHN CC(C#N)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000346448402 403590415 /nfs/dbraw/zinc/59/04/15/403590415.db2.gz SLYFWWUTENCHQE-ZETCQYMHSA-N 0 3 321.686 2.408 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(OC(F)F)cc1 ZINC000293910460 403596967 /nfs/dbraw/zinc/59/69/67/403596967.db2.gz FYWYCVDXIZTSBD-UHFFFAOYSA-N 0 3 324.371 2.292 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1cccc2ccccc21 ZINC000293943200 403604699 /nfs/dbraw/zinc/60/46/99/403604699.db2.gz JDRLVZBPGLHWQG-UHFFFAOYSA-N 0 3 310.397 2.290 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOc1ccccc1F ZINC000293956999 403609024 /nfs/dbraw/zinc/60/90/24/403609024.db2.gz KSTKIHKZISNWNS-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000347032661 403612138 /nfs/dbraw/zinc/61/21/38/403612138.db2.gz GPXREEJRVPGSSV-GFCCVEGCSA-N 0 3 320.462 2.244 20 30 DEEDHN CC(C#N)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000347054749 403612877 /nfs/dbraw/zinc/61/28/77/403612877.db2.gz AAQBPMYRPBGEIC-ZDUSSCGKSA-N 0 3 321.808 2.023 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCCN([C@H](C)CO)CC1)c1ccccc1 ZINC000347132167 403617586 /nfs/dbraw/zinc/61/75/86/403617586.db2.gz MRMDKGSYDZSRDB-SJORKVTESA-N 0 3 316.445 2.261 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnccc1C#N ZINC000343725797 403708808 /nfs/dbraw/zinc/70/88/08/403708808.db2.gz FEOUBYLZYQLXNA-KDOFPFPSSA-N 0 3 320.396 2.204 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)ncn3C)nc(C)n1 ZINC000347348708 403674371 /nfs/dbraw/zinc/67/43/71/403674371.db2.gz VICZLBPZMPTMEV-ZDUSSCGKSA-N 0 3 305.341 2.470 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000347439056 403709508 /nfs/dbraw/zinc/70/95/08/403709508.db2.gz WGNACASSEDNRII-HNNXBMFYSA-N 0 3 323.824 2.115 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000301840049 403688411 /nfs/dbraw/zinc/68/84/11/403688411.db2.gz AERYKRZUEYUIPS-DLBZAZTESA-N 0 3 308.385 2.001 20 30 DEEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OC[C@@H]2CCCO2)c1 ZINC000343707249 403701197 /nfs/dbraw/zinc/70/11/97/403701197.db2.gz OGINYKFQAZISMA-ZFWWWQNUSA-N 0 3 302.374 2.329 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N(CC)CCC#N)C1(CC)CC ZINC000429351383 286383301 /nfs/dbraw/zinc/38/33/01/286383301.db2.gz SNVYYUXMJYIJCI-LSDHHAIUSA-N 0 3 309.454 2.322 20 30 DEEDHN N#CCCn1ccc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)n1 ZINC000289118077 403838454 /nfs/dbraw/zinc/83/84/54/403838454.db2.gz DGBJHJJDBLVJDM-ZIAGYGMSSA-N 0 3 324.340 2.040 20 30 DEEDHN N#Cc1ccccc1OCCN[C@]1(CO)CCc2ccccc21 ZINC000305238849 403890894 /nfs/dbraw/zinc/89/08/94/403890894.db2.gz PFMHNWYEOQUSCX-IBGZPJMESA-N 0 3 308.381 2.361 20 30 DEEDHN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C(C)C#N ZINC000354591684 403893036 /nfs/dbraw/zinc/89/30/36/403893036.db2.gz DJMNRASFSNILAY-SNVBAGLBSA-N 0 3 323.780 2.262 20 30 DEEDHN CCn1nccc1CCN(C)CCOCc1ccc(C#N)cc1 ZINC000344113312 403918247 /nfs/dbraw/zinc/91/82/47/403918247.db2.gz LVMDYHIXDAQOFZ-UHFFFAOYSA-N 0 3 312.417 2.466 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)NCc1sccc1C ZINC000411648143 403923393 /nfs/dbraw/zinc/92/33/93/403923393.db2.gz ZNILQCKEAQYYDD-UHFFFAOYSA-N 0 3 309.479 2.112 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000305742982 403925877 /nfs/dbraw/zinc/92/58/77/403925877.db2.gz SYKUOTNRIGUOQW-RBUKOAKNSA-N 0 3 308.381 2.015 20 30 DEEDHN CO[C@H]1C[C@H](CN2CCCC2)N(c2nccc(C#N)c2Cl)C1 ZINC000347902698 403942924 /nfs/dbraw/zinc/94/29/24/403942924.db2.gz BOLRFMKVUVPMGM-KGLIPLIRSA-N 0 3 320.824 2.296 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)Cc2cc(C#N)n(C)c2)o1 ZINC000289413278 403951689 /nfs/dbraw/zinc/95/16/89/403951689.db2.gz IDIYARPSYKFECN-UHFFFAOYSA-N 0 3 300.406 2.362 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H](CO)C2CCCC2)cc1Cl ZINC000289421341 403955357 /nfs/dbraw/zinc/95/53/57/403955357.db2.gz CFDISQYNOFXKHS-HNNXBMFYSA-N 0 3 321.808 2.291 20 30 DEEDHN Cc1nc(NC(=O)[C@@H]2CN(C)C[C@H]2C)sc1SCC#N ZINC000362728335 403982992 /nfs/dbraw/zinc/98/29/92/403982992.db2.gz LFEKKZUQAGTTOJ-PSASIEDQSA-N 0 3 310.448 2.203 20 30 DEEDHN Cc1nc(NC(=O)[C@H]2CN(C)C[C@H]2C)sc1SCC#N ZINC000362728338 403984603 /nfs/dbraw/zinc/98/46/03/403984603.db2.gz LFEKKZUQAGTTOJ-SCZZXKLOSA-N 0 3 310.448 2.203 20 30 DEEDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000411963544 404033842 /nfs/dbraw/zinc/03/38/42/404033842.db2.gz CKRZPZDXAGFCBP-PXAZEXFGSA-N 0 3 301.390 2.290 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000354816951 404033910 /nfs/dbraw/zinc/03/39/10/404033910.db2.gz VHOYRLAQUVHOCP-KRWDZBQOSA-N 0 3 302.418 2.451 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000362808138 403990834 /nfs/dbraw/zinc/99/08/34/403990834.db2.gz JJWIOCBJAUGFRR-SJORKVTESA-N 0 3 302.418 2.346 20 30 DEEDHN Cn1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000351905968 403997428 /nfs/dbraw/zinc/99/74/28/403997428.db2.gz DJOHTFOXSVVECM-KRWDZBQOSA-N 0 3 308.385 2.182 20 30 DEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(I)cc1 ZINC000289791391 403998239 /nfs/dbraw/zinc/99/82/39/403998239.db2.gz NFDATLPDZAAJLO-SKDRFNHKSA-N 0 3 317.170 2.489 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000289844748 404002287 /nfs/dbraw/zinc/00/22/87/404002287.db2.gz NMGJHNXHKLCCBR-GOSISDBHSA-N 0 3 317.433 2.094 20 30 DEEDHN N#Cc1cc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)ccc1F ZINC000411967285 404035557 /nfs/dbraw/zinc/03/55/57/404035557.db2.gz MMMUHELAXRYHBJ-IBGZPJMESA-N 0 3 323.371 2.326 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCCN1C ZINC000344282122 404028207 /nfs/dbraw/zinc/02/82/07/404028207.db2.gz IKHYRYJDLRWUJH-CZUORRHYSA-N 0 3 300.406 2.182 20 30 DEEDHN N#Cc1ccc(CNCCCN(C(=O)C2CCC2)C2CC2)o1 ZINC000344372121 404089988 /nfs/dbraw/zinc/08/99/88/404089988.db2.gz JCIQIZDZOCWJSH-UHFFFAOYSA-N 0 3 301.390 2.422 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@](C)(C2CC2)C1=O)C(C)C ZINC000348778542 404098575 /nfs/dbraw/zinc/09/85/75/404098575.db2.gz ANHXUKZEOQLNEQ-CRAIPNDOSA-N 0 3 319.449 2.406 20 30 DEEDHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCOC1 ZINC000348142362 404045800 /nfs/dbraw/zinc/04/58/00/404045800.db2.gz NFAAHBKHHZNCIQ-CVEARBPZSA-N 0 3 315.417 2.338 20 30 DEEDHN CN(C)C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000290137566 404055418 /nfs/dbraw/zinc/05/54/18/404055418.db2.gz NNXPKWUCXWUPFF-QGZVFWFLSA-N 0 3 300.381 2.428 20 30 DEEDHN C[C@H](Cc1ccncc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348291236 404055758 /nfs/dbraw/zinc/05/57/58/404055758.db2.gz APAYVPSEOXTWTE-KDOFPFPSSA-N 0 3 318.380 2.383 20 30 DEEDHN C[C@@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000348412212 404065868 /nfs/dbraw/zinc/06/58/68/404065868.db2.gz QUMRMLATDBRWLI-XYPHTWIQSA-N 0 3 311.385 2.172 20 30 DEEDHN Cn1ncc(C(=O)NC2CCN(C)CC2)c1Cc1ccccc1 ZINC000328601225 404111803 /nfs/dbraw/zinc/11/18/03/404111803.db2.gz FDCYMDURILCZKU-UHFFFAOYSA-N 0 3 312.417 2.410 20 30 DEEDHN Cc1cc(CN(C)C(C)(C)CN2CCOCC2)ccc1C#N ZINC000412097584 404133434 /nfs/dbraw/zinc/13/34/34/404133434.db2.gz OUAPLCITNVRWQC-UHFFFAOYSA-N 0 3 301.434 2.409 20 30 DEEDHN CC[C@](C)(C#N)C(=O)N(C)C[C@H]1CCN(C)[C@H]1c1cccnc1 ZINC000354972212 404133493 /nfs/dbraw/zinc/13/34/93/404133493.db2.gz HZIGFUSXBCMQLM-SOLBZPMBSA-N 0 3 314.433 2.473 20 30 DEEDHN C[C@H]1[C@@H](CO)CCCN1CCC(=O)Nc1sccc1C#N ZINC000412088471 404125414 /nfs/dbraw/zinc/12/54/14/404125414.db2.gz PLPDGVFZTAEEQK-WCQYABFASA-N 0 3 307.419 2.041 20 30 DEEDHN CN1CC=C(CNC(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000328713902 404136706 /nfs/dbraw/zinc/13/67/06/404136706.db2.gz CDLJZSUWHAOORM-UHFFFAOYSA-N 0 3 305.378 2.135 20 30 DEEDHN C=C(C)CN1CCC(NCc2cnc(C3OCCO3)s2)CC1 ZINC000290363005 404140623 /nfs/dbraw/zinc/14/06/23/404140623.db2.gz MXWWAVXMHUHWDU-UHFFFAOYSA-N 0 3 323.462 2.319 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000349418294 404160819 /nfs/dbraw/zinc/16/08/19/404160819.db2.gz VNSKIWRAJHREBQ-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN N#Cc1cnccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000344480920 404168915 /nfs/dbraw/zinc/16/89/15/404168915.db2.gz ZQRUKZBGHICJGV-MRXNPFEDSA-N 0 3 320.396 2.226 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCN1CCCCC1 ZINC000328920190 404174842 /nfs/dbraw/zinc/17/48/42/404174842.db2.gz BUZIUDOXNWXGFZ-HUUCEWRRSA-N 0 3 320.437 2.423 20 30 DEEDHN Cc1nn(C)cc1[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000363543759 404179470 /nfs/dbraw/zinc/17/94/70/404179470.db2.gz GWKGLZZYEGSEFY-ROUUACIJSA-N 0 3 310.401 2.471 20 30 DEEDHN Cc1ncsc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000296295966 404184404 /nfs/dbraw/zinc/18/44/04/404184404.db2.gz ZOPBECKMUNZZNH-HNNXBMFYSA-N 0 3 324.409 2.364 20 30 DEEDHN C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344511484 404194325 /nfs/dbraw/zinc/19/43/25/404194325.db2.gz LVSXXEHSRJFVLT-KBPBESRZSA-N 0 3 300.406 2.355 20 30 DEEDHN CN1CCC2(CCN(Cc3ccc(C#N)c(F)c3)CC2)C1=O ZINC000369691043 404194556 /nfs/dbraw/zinc/19/45/56/404194556.db2.gz CFPFPDPPCLKHPX-UHFFFAOYSA-N 0 3 301.365 2.142 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CCCN1C ZINC000355082392 404206930 /nfs/dbraw/zinc/20/69/30/404206930.db2.gz MDMPEACFPYXTFD-CZUORRHYSA-N 0 3 312.417 2.329 20 30 DEEDHN Cc1cc(C(=O)N2CCCN(CC3CCC3)CC2)ncc1C#N ZINC000412319992 404245008 /nfs/dbraw/zinc/24/50/08/404245008.db2.gz VBVLGKDLJWJZMC-UHFFFAOYSA-N 0 3 312.417 2.210 20 30 DEEDHN C[C@H](C(=O)N[C@@H](CO)CN1CCCCC1)N1CCCCCC1 ZINC000329160744 404248032 /nfs/dbraw/zinc/24/80/32/404248032.db2.gz FJBWVTMDQMHUPV-HZPDHXFCSA-N 0 3 311.470 2.054 20 30 DEEDHN Cc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cnn1CC(C)C ZINC000329416129 404331661 /nfs/dbraw/zinc/33/16/61/404331661.db2.gz FPCDBFBRDSLKGY-ZBFHGGJFSA-N 0 3 319.453 2.419 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(CO)c2)cc1 ZINC000350151884 404333305 /nfs/dbraw/zinc/33/33/05/404333305.db2.gz IVYGILOIJSCCEY-SFHVURJKSA-N 0 3 319.364 2.049 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000355563253 404349701 /nfs/dbraw/zinc/34/97/01/404349701.db2.gz MDDBUGVIDYKHFI-SFHVURJKSA-N 0 3 317.433 2.084 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCc1ccccc1F ZINC000296913427 404369763 /nfs/dbraw/zinc/36/97/63/404369763.db2.gz NVDZJMIECNFYIB-UHFFFAOYSA-N 0 3 305.397 2.013 20 30 DEEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCCc2occc21 ZINC000329708075 404429266 /nfs/dbraw/zinc/42/92/66/404429266.db2.gz KWZCAMQLHRYDOQ-PWSUYJOCSA-N 0 3 300.362 2.441 20 30 DEEDHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@H]1CCCc2occc21 ZINC000329708075 404429273 /nfs/dbraw/zinc/42/92/73/404429273.db2.gz KWZCAMQLHRYDOQ-PWSUYJOCSA-N 0 3 300.362 2.441 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2sccc2C#N)C[C@@H]1N1CCCC1 ZINC000352465947 404391358 /nfs/dbraw/zinc/39/13/58/404391358.db2.gz RRTIJDPWBMJXIK-QWHCGFSZSA-N 0 3 321.471 2.272 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)c2cnccc2C#N)N(C)C)cc1 ZINC000342189020 404430062 /nfs/dbraw/zinc/43/00/62/404430062.db2.gz FCOYOKHWTWAXLP-KRWDZBQOSA-N 0 3 308.385 2.294 20 30 DEEDHN COc1cccc(COC[C@H](O)CN2CCC(C)(C#N)CC2)c1 ZINC000356432635 404518925 /nfs/dbraw/zinc/51/89/25/404518925.db2.gz JQQCALUYTCLPET-MRXNPFEDSA-N 0 3 318.417 2.198 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)[C@H]1CCC[C@H]1O ZINC000352665885 404527861 /nfs/dbraw/zinc/52/78/61/404527861.db2.gz GFQXNHJTOYUXOW-XJADACSNSA-N 0 3 321.465 2.151 20 30 DEEDHN Cc1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c(C)o1 ZINC000350658222 404434933 /nfs/dbraw/zinc/43/49/33/404434933.db2.gz UWPDJDBXMZSUKH-INIZCTEOSA-N 0 3 322.368 2.204 20 30 DEEDHN Cc1nnc([C@@H](C)NC(=O)N(C)CC2CCN(C)CC2)s1 ZINC000329791504 404452524 /nfs/dbraw/zinc/45/25/24/404452524.db2.gz UNKHJWQIJXUUOK-SNVBAGLBSA-N 0 3 311.455 2.095 20 30 DEEDHN CCOC1(C)CCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000330232888 404596198 /nfs/dbraw/zinc/59/61/98/404596198.db2.gz XPAWPHCEWCIZEH-LBPRGKRZSA-N 0 3 306.410 2.072 20 30 DEEDHN CCOC1(C)CCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000330232888 404596204 /nfs/dbraw/zinc/59/62/04/404596204.db2.gz XPAWPHCEWCIZEH-LBPRGKRZSA-N 0 3 306.410 2.072 20 30 DEEDHN CSC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000330222196 404590811 /nfs/dbraw/zinc/59/08/11/404590811.db2.gz RQPUWSZTKYHNSX-VXGBXAGGSA-N 0 3 308.451 2.256 20 30 DEEDHN CSC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000330222196 404590818 /nfs/dbraw/zinc/59/08/18/404590818.db2.gz RQPUWSZTKYHNSX-VXGBXAGGSA-N 0 3 308.451 2.256 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000330063756 404543330 /nfs/dbraw/zinc/54/33/30/404543330.db2.gz QJBZOMXSKUBBMO-HZPDHXFCSA-N 0 3 306.454 2.441 20 30 DEEDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N)C1CC1 ZINC000414197091 404545049 /nfs/dbraw/zinc/54/50/49/404545049.db2.gz XNPRORWPMJTSKX-MKBNYLNASA-N 0 3 301.390 2.288 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CCN4CCCC[C@@H]4C3)o2)c1 ZINC000330090150 404548171 /nfs/dbraw/zinc/54/81/71/404548171.db2.gz WNXBQVDUYAPVMH-MRXNPFEDSA-N 0 3 323.400 2.278 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000352711022 404567109 /nfs/dbraw/zinc/56/71/09/404567109.db2.gz MIRXVTKXCHNOGX-AWEZNQCLSA-N 0 3 303.381 2.230 20 30 DEEDHN C=CCc1cc(CN2CC[C@@H](C(=O)N(C)C)C2)cc(OC)c1O ZINC000414496787 404658216 /nfs/dbraw/zinc/65/82/16/404658216.db2.gz JASPIUDQOWAALR-OAHLLOKOSA-N 0 3 318.417 2.039 20 30 DEEDHN CC(=O)N1CCC(NC(=O)CN(C2CCC2)C2CCC2)CC1 ZINC000330254199 404602568 /nfs/dbraw/zinc/60/25/68/404602568.db2.gz PCLYZVGPTPRWGR-UHFFFAOYSA-N 0 3 307.438 2.361 20 30 DEEDHN O=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1CCN(C2CC2)C1 ZINC000330307484 404622166 /nfs/dbraw/zinc/62/21/66/404622166.db2.gz SECBAOKYRQDPIY-CQSZACIVSA-N 0 3 317.437 2.239 20 30 DEEDHN COc1ccc([C@H](Cc2ccccc2)NCC(=O)NCC#N)cc1 ZINC000352907350 404689375 /nfs/dbraw/zinc/68/93/75/404689375.db2.gz FJARIOXEIJQYBU-SFHVURJKSA-N 0 3 323.396 2.208 20 30 DEEDHN C[C@@H](CNC(=O)NCC(C)(C)C#N)N(C)Cc1ccccc1 ZINC000353107035 404743760 /nfs/dbraw/zinc/74/37/60/404743760.db2.gz CVJIGNAEUZHHMG-AWEZNQCLSA-N 0 3 302.422 2.356 20 30 DEEDHN COc1cccc([C@H](CNC(=O)C(C)C#N)N2CCCC2)c1 ZINC000357807171 404744527 /nfs/dbraw/zinc/74/45/27/404744527.db2.gz TZNDFIVOTATQDB-CJNGLKHVSA-N 0 3 301.390 2.108 20 30 DEEDHN CC(C#N)C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000357809221 404744615 /nfs/dbraw/zinc/74/46/15/404744615.db2.gz VTSYHWKEABKDOU-ZDUSSCGKSA-N 0 3 321.808 2.023 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000353215135 404772212 /nfs/dbraw/zinc/77/22/12/404772212.db2.gz URLVJHZETBXKMC-QWHCGFSZSA-N 0 3 313.405 2.222 20 30 DEEDHN CN(C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)C#N ZINC000358619868 404769144 /nfs/dbraw/zinc/76/91/44/404769144.db2.gz VABWUOUXHWRFCZ-UHFFFAOYSA-N 0 3 302.422 2.310 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccnc(-n3cccn3)c2)nc(C)n1 ZINC000353031644 404727385 /nfs/dbraw/zinc/72/73/85/404727385.db2.gz VGGUMVDSEKICJK-AWEZNQCLSA-N 0 3 318.340 2.164 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000358874698 404777979 /nfs/dbraw/zinc/77/79/79/404777979.db2.gz WHJMPBBZLYAGHB-JMSVASOKSA-N 0 3 317.364 2.154 20 30 DEEDHN CN(C)CCOc1ccccc1C(=O)N1CCC(F)(C#N)CC1 ZINC000359352165 404790273 /nfs/dbraw/zinc/79/02/73/404790273.db2.gz QKZMGOPMLZQLFE-UHFFFAOYSA-N 0 3 319.380 2.095 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCS(=O)(=O)C1 ZINC000360658650 404833321 /nfs/dbraw/zinc/83/33/21/404833321.db2.gz UMXDQTOAZBAIKW-PBHICJAKSA-N 0 3 318.442 2.350 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCc3c2cccc3O)cc1 ZINC000451176552 404889744 /nfs/dbraw/zinc/88/97/44/404889744.db2.gz QONXPKNSTAZAAF-KSSFIOAISA-N 0 3 324.380 2.281 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451208970 404901618 /nfs/dbraw/zinc/90/16/18/404901618.db2.gz GEJURKLMYZFINF-OAHLLOKOSA-N 0 3 323.481 2.025 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435347878 404972448 /nfs/dbraw/zinc/97/24/48/404972448.db2.gz PDGDJUMMKQPSTR-CXAGYDPISA-N 0 3 309.413 2.189 20 30 DEEDHN COCCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1ccccc1 ZINC000424095445 405004558 /nfs/dbraw/zinc/00/45/58/405004558.db2.gz NTKPAZJFUZXPJE-ZBFHGGJFSA-N 0 3 303.406 2.244 20 30 DEEDHN COc1ccc(CCCN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424096175 405004722 /nfs/dbraw/zinc/00/47/22/405004722.db2.gz YWUDQGJHQHPYOB-MRXNPFEDSA-N 0 3 303.406 2.107 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000424197271 405036755 /nfs/dbraw/zinc/03/67/55/405036755.db2.gz WNWCBFJTAWWLDO-OAHLLOKOSA-N 0 3 316.361 2.107 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Br)s1 ZINC000424100624 405006386 /nfs/dbraw/zinc/00/63/86/405006386.db2.gz XGYACNSMHCMUMK-SECBINFHSA-N 0 3 316.224 2.148 20 30 DEEDHN CC(C#N)C(=O)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000361287032 405008544 /nfs/dbraw/zinc/00/85/44/405008544.db2.gz GRGATBYZLSRQSL-VIFPVBQESA-N 0 3 301.268 2.145 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000424113666 405009707 /nfs/dbraw/zinc/00/97/07/405009707.db2.gz NYPDYZPGQIRSND-GJZGRUSLSA-N 0 3 321.808 2.261 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000424121036 405012992 /nfs/dbraw/zinc/01/29/92/405012992.db2.gz HWHRNLCVKGMOFD-INIZCTEOSA-N 0 3 303.381 2.380 20 30 DEEDHN CCc1cccc2c(CCNC(=O)[C@H](N)CCCC#N)c[nH]c21 ZINC000424119951 405013420 /nfs/dbraw/zinc/01/34/20/405013420.db2.gz DIKUIVOAHVWDIO-MRXNPFEDSA-N 0 3 312.417 2.410 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCSc2ccccc21 ZINC000451599153 405013886 /nfs/dbraw/zinc/01/38/86/405013886.db2.gz NIQGSSACQOJWLR-OCCSQVGLSA-N 0 3 304.415 2.058 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)C[C@H](c2ccsc2)O1 ZINC000424123006 405014562 /nfs/dbraw/zinc/01/45/62/405014562.db2.gz JNAFHUFOZFPSKO-MRVWCRGKSA-N 0 3 307.419 2.058 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(-n2cccn2)cc1 ZINC000424131161 405017216 /nfs/dbraw/zinc/01/72/16/405017216.db2.gz VYYWWLUVZWWPFR-CJNGLKHVSA-N 0 3 311.389 2.071 20 30 DEEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C ZINC000416065820 405017914 /nfs/dbraw/zinc/01/79/14/405017914.db2.gz SMNLRGWOOOYDJU-DLBZAZTESA-N 0 3 313.401 2.418 20 30 DEEDHN Cc1nc2c(s1)[C@H](N(C)C(=O)[C@H](N)CCCC#N)CCC2 ZINC000424146656 405021311 /nfs/dbraw/zinc/02/13/11/405021311.db2.gz PXNSSRRXVRSUMN-DGCLKSJQSA-N 0 3 306.435 2.309 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CCOCC1 ZINC000424177636 405031216 /nfs/dbraw/zinc/03/12/16/405031216.db2.gz QAAHKQVCYFVDMW-DLBZAZTESA-N 0 3 314.429 2.313 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000424062969 404990191 /nfs/dbraw/zinc/99/01/91/404990191.db2.gz IFNSIIMYSBPHBY-LBPRGKRZSA-N 0 3 315.295 2.223 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000424071167 404994461 /nfs/dbraw/zinc/99/44/61/404994461.db2.gz UJJCQTJRLQHNOZ-INIZCTEOSA-N 0 3 301.390 2.119 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccnc1C#N ZINC000367942265 405199233 /nfs/dbraw/zinc/19/92/33/405199233.db2.gz LLPMWRVDBNETIG-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN N#Cc1cccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367960442 405204288 /nfs/dbraw/zinc/20/42/88/405204288.db2.gz ZLHUZTDJKJMIEO-IRXDYDNUSA-N 0 3 300.402 2.358 20 30 DEEDHN C=C(CC)CNC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418887695 405210650 /nfs/dbraw/zinc/21/06/50/405210650.db2.gz NIAPGIGXTVQEIF-INIZCTEOSA-N 0 3 317.433 2.008 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(C[C@H](c2ccccc2)N(C)C)C1=O ZINC000419912763 405271350 /nfs/dbraw/zinc/27/13/50/405271350.db2.gz JYQPQNFFQLYVDG-HUUCEWRRSA-N 0 3 301.390 2.176 20 30 DEEDHN COC(=O)CC1(NCc2ccc(C#N)cc2Cl)CCOCC1 ZINC000439438267 405278441 /nfs/dbraw/zinc/27/84/41/405278441.db2.gz LXPVZKWJXIJTKL-UHFFFAOYSA-N 0 3 322.792 2.414 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000439621666 405286220 /nfs/dbraw/zinc/28/62/20/405286220.db2.gz DAYCUEXFVLQPRO-TUKIKUTGSA-N 0 3 301.390 2.288 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000437995529 405228308 /nfs/dbraw/zinc/22/83/08/405228308.db2.gz RNJNPOUZTLWPND-XIRDDKMYSA-N 0 3 323.481 2.339 20 30 DEEDHN C=CCN1CC[C@@H](N2CCNC[C@H]2c2ccccc2Cl)C1=O ZINC000420311640 405314937 /nfs/dbraw/zinc/31/49/37/405314937.db2.gz NZAWSFAXHSGUST-CVEARBPZSA-N 0 3 319.836 2.073 20 30 DEEDHN COCCCN(C)CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426140849 405340534 /nfs/dbraw/zinc/34/05/34/405340534.db2.gz BFDGTGKDYORCPC-UHFFFAOYSA-N 0 3 324.812 2.301 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000454475355 405351076 /nfs/dbraw/zinc/35/10/76/405351076.db2.gz DKXTZDDIUWJLHF-CVEARBPZSA-N 0 3 319.405 2.092 20 30 DEEDHN COc1cc(N[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc(OC)c1 ZINC000427014421 405385649 /nfs/dbraw/zinc/38/56/49/405385649.db2.gz ZGZCQBFYSPHCPS-CHWSQXEVSA-N 0 3 317.389 2.266 20 30 DEEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000455389414 405403978 /nfs/dbraw/zinc/40/39/78/405403978.db2.gz TVBKJIRBAGNCOG-CQSZACIVSA-N 0 3 309.454 2.093 20 30 DEEDHN C[C@H]1C[C@@H](CO)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000420932156 405408432 /nfs/dbraw/zinc/40/84/32/405408432.db2.gz DUCXHSPRDOGALC-GOEBONIOSA-N 0 3 324.428 2.409 20 30 DEEDHN N#Cc1cccc(NCC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000426612150 405370691 /nfs/dbraw/zinc/37/06/91/405370691.db2.gz WZCQXGCERUTRLB-QGZVFWFLSA-N 0 3 312.417 2.057 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCCN2C)c(C#N)c1C ZINC000421016078 405429995 /nfs/dbraw/zinc/42/99/95/405429995.db2.gz XSVXNUDWOPEPQM-OCCSQVGLSA-N 0 3 318.421 2.121 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3c(cccc3C)O2)CC1 ZINC000448924267 405464502 /nfs/dbraw/zinc/46/45/02/405464502.db2.gz XTBAALRHCSEYQS-SFHVURJKSA-N 0 3 314.429 2.455 20 30 DEEDHN CC(C#N)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492480459 405504514 /nfs/dbraw/zinc/50/45/14/405504514.db2.gz FAQAUUQGXYWMML-LBPRGKRZSA-N 0 3 307.394 2.220 20 30 DEEDHN Cn1cc(Cl)c(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000456124575 405506875 /nfs/dbraw/zinc/50/68/75/405506875.db2.gz KCHMFFFSERYOBN-ZDUSSCGKSA-N 0 3 316.792 2.462 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000456162833 405523945 /nfs/dbraw/zinc/52/39/45/405523945.db2.gz IZBZNKOKLAQWCV-SJORKVTESA-N 0 3 311.429 2.289 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@](COC)(C(=O)OC)C1 ZINC000449460540 405572373 /nfs/dbraw/zinc/57/23/73/405572373.db2.gz ZDYZYMBEOHNRLU-SFHVURJKSA-N 0 3 319.401 2.263 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)NCC(C)(C)CCC#N)C2)C1 ZINC000458773277 405583159 /nfs/dbraw/zinc/58/31/59/405583159.db2.gz UBKQBFJJIIXUOC-QGZVFWFLSA-N 0 3 306.454 2.444 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCC#Cc2cccc(F)c2)C1 ZINC000458785295 405591344 /nfs/dbraw/zinc/59/13/44/405591344.db2.gz YGHLVSXXKTXCGY-KRWDZBQOSA-N 0 3 317.408 2.301 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000457086603 405688211 /nfs/dbraw/zinc/68/82/11/405688211.db2.gz IWQPNMUVUZTXNK-INIZCTEOSA-N 0 3 314.433 2.179 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000459043135 405711587 /nfs/dbraw/zinc/71/15/87/405711587.db2.gz OJOKVVRZYYVSOI-UAGQMJEPSA-N 0 3 321.465 2.236 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](CCCO)C1 ZINC000457144304 405722729 /nfs/dbraw/zinc/72/27/29/405722729.db2.gz MUJGJRHVFNKNBL-IRXDYDNUSA-N 0 3 300.402 2.380 20 30 DEEDHN C[C@@H]1CC(F)(F)CCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000528762766 405739236 /nfs/dbraw/zinc/73/92/36/405739236.db2.gz NWDWSAJGKQJKHU-OCCSQVGLSA-N 0 3 310.344 2.418 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000450108899 405743168 /nfs/dbraw/zinc/74/31/68/405743168.db2.gz YVTUUDYMZNIWRN-SPUZQDLCSA-N 0 3 314.429 2.357 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528918727 405744482 /nfs/dbraw/zinc/74/44/82/405744482.db2.gz KFVMPFNKEKOEKN-CYBMUJFWSA-N 0 3 324.340 2.188 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)CC#N)C[C@@H](C)C1 ZINC000459240550 405814696 /nfs/dbraw/zinc/81/46/96/405814696.db2.gz QGGOLIYAPRWTNR-RRFJBIMHSA-N 0 3 306.454 2.298 20 30 DEEDHN CC#CCCN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495321605 405873071 /nfs/dbraw/zinc/87/30/71/405873071.db2.gz GNTFCXOHKXVGKP-GJZGRUSLSA-N 0 3 310.438 2.404 20 30 DEEDHN N#CC[C@]1(O)CCN(C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000592154857 405880370 /nfs/dbraw/zinc/88/03/70/405880370.db2.gz UWZKVSQRISVLMB-MOPGFXCFSA-N 0 3 310.397 2.094 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495378410 405886824 /nfs/dbraw/zinc/88/68/24/405886824.db2.gz ZILNAADOJRFWHX-CABCVRRESA-N 0 3 302.374 2.182 20 30 DEEDHN C#CCCCN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495221453 405844691 /nfs/dbraw/zinc/84/46/91/405844691.db2.gz MWYKKABSBWBIKB-CABCVRRESA-N 0 3 310.438 2.404 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@](O)(CC)C1 ZINC000495234139 405850889 /nfs/dbraw/zinc/85/08/89/405850889.db2.gz RDAQYBRHTGNIGU-FUHWJXTLSA-N 0 3 305.418 2.002 20 30 DEEDHN COC(=O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433109039 405868023 /nfs/dbraw/zinc/86/80/23/405868023.db2.gz JREAAWHKJRNGEJ-INIZCTEOSA-N 0 3 314.385 2.171 20 30 DEEDHN CC(C)OC(=O)[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433375345 405938723 /nfs/dbraw/zinc/93/87/23/405938723.db2.gz PELOSVLDWWVUBK-ZBFHGGJFSA-N 0 3 316.401 2.463 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000433476866 405952372 /nfs/dbraw/zinc/95/23/72/405952372.db2.gz FBGFVFXVPNWPKC-YESZJQIVSA-N 0 3 300.402 2.426 20 30 DEEDHN CC(C#N)C(=O)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496137513 405953329 /nfs/dbraw/zinc/95/33/29/405953329.db2.gz NJTYEFVOVQXGAY-GFCCVEGCSA-N 0 3 307.394 2.148 20 30 DEEDHN CC(C#N)C(=O)N1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000496152320 405954100 /nfs/dbraw/zinc/95/41/00/405954100.db2.gz ATZPDXBNPNQQKO-SFYCDEOASA-N 0 3 321.421 2.442 20 30 DEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)CC(C)(C)CC#N ZINC000451009851 406016507 /nfs/dbraw/zinc/01/65/07/406016507.db2.gz RJUODICBWYANJF-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN C[C@@H]1CSC[C@@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507220993 406053302 /nfs/dbraw/zinc/05/33/02/406053302.db2.gz CSEDMCMYHGUQEI-UGFHNGPFSA-N 0 3 301.415 2.005 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000564189018 406063165 /nfs/dbraw/zinc/06/31/65/406063165.db2.gz RTEXYPYQPVJQFZ-CVEARBPZSA-N 0 3 301.390 2.187 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1ccn(C)c1 ZINC000567685206 406118534 /nfs/dbraw/zinc/11/85/34/406118534.db2.gz XKCWCHWBEPTGTB-KRWDZBQOSA-N 0 3 300.402 2.283 20 30 DEEDHN N#CC1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000517341214 406125814 /nfs/dbraw/zinc/12/58/14/406125814.db2.gz YFNGIUMBMPNTHM-INIZCTEOSA-N 0 3 312.417 2.254 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc(O)c2)cc1 ZINC000472353960 406140831 /nfs/dbraw/zinc/14/08/31/406140831.db2.gz HLIANZGYJPFQNM-QGZVFWFLSA-N 0 3 319.364 2.305 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000537229418 406286038 /nfs/dbraw/zinc/28/60/38/406286038.db2.gz HIAOXFPGSAACFJ-APWZRJJASA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCn1cccc1C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000488854520 406355170 /nfs/dbraw/zinc/35/51/70/406355170.db2.gz NOBRNGYDXGELKZ-UHFFFAOYSA-N 0 3 319.449 2.293 20 30 DEEDHN N#Cc1cccc(CC(=O)N2CCCN(CC3CCC3)CC2)c1 ZINC000570179191 406358732 /nfs/dbraw/zinc/35/87/32/406358732.db2.gz QASVTWRSERRFFI-UHFFFAOYSA-N 0 3 311.429 2.435 20 30 DEEDHN CCc1nn(CCN2C[C@H](C)C[C@@H](C)C2)c(=O)c(C#N)c1CC ZINC000570699116 406429744 /nfs/dbraw/zinc/42/97/44/406429744.db2.gz PQXRWCFHEHCWJN-ZIAGYGMSSA-N 0 3 316.449 2.218 20 30 DEEDHN C=CCCOCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000489794191 406432128 /nfs/dbraw/zinc/43/21/28/406432128.db2.gz SPCDHHLMDGRISE-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000490689855 406483013 /nfs/dbraw/zinc/48/30/13/406483013.db2.gz QAOQNIVGNRKWMB-YOEHRIQHSA-N 0 3 317.408 2.453 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570763600 406435283 /nfs/dbraw/zinc/43/52/83/406435283.db2.gz AMLZOWLELUSSCM-UXLLHSPISA-N 0 3 318.442 2.491 20 30 DEEDHN C#CCNC(=O)CCN1CCC(c2ncccc2Cl)CC1 ZINC000491203465 406543596 /nfs/dbraw/zinc/54/35/96/406543596.db2.gz WKFZXCJJVPUZDD-UHFFFAOYSA-N 0 3 305.809 2.054 20 30 DEEDHN C#CCN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000491228865 406549090 /nfs/dbraw/zinc/54/90/90/406549090.db2.gz CPNGWQSNHYOMTN-HIFRSBDPSA-N 0 3 305.447 2.406 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(c2ccncc2)CC1)OCC ZINC000640446007 406505618 /nfs/dbraw/zinc/50/56/18/406505618.db2.gz PYLOUZGURLTTRJ-QGZVFWFLSA-N 0 3 317.433 2.492 20 30 DEEDHN C#CCN1CCC(C(=O)NCCC2CCC(OC)CC2)CC1 ZINC000490950253 406510998 /nfs/dbraw/zinc/51/09/98/406510998.db2.gz PKXDPOKCOSRNFJ-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(C)cc1OCC1CC1 ZINC000491460682 406597102 /nfs/dbraw/zinc/59/71/02/406597102.db2.gz ARWHNWCRODTCBB-UHFFFAOYSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000491474282 406600403 /nfs/dbraw/zinc/60/04/03/406600403.db2.gz LKFLLURNLFZFEI-HZPDHXFCSA-N 0 3 322.449 2.404 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CSc2ccccc2O1 ZINC000491370882 406579537 /nfs/dbraw/zinc/57/95/37/406579537.db2.gz BOCOLSYUJICIHE-AWEZNQCLSA-N 0 3 318.442 2.001 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2cccc(OC)c2)CC1 ZINC000491371164 406579590 /nfs/dbraw/zinc/57/95/90/406579590.db2.gz CYANNGPJXHQJOY-ZWKOTPCHSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000491668675 406659637 /nfs/dbraw/zinc/65/96/37/406659637.db2.gz SXLOIWOOJNNUAN-CQSZACIVSA-N 0 3 304.365 2.157 20 30 DEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000491771053 406710787 /nfs/dbraw/zinc/71/07/87/406710787.db2.gz PUTHJIYIXORYHR-CQSZACIVSA-N 0 3 313.401 2.096 20 30 DEEDHN C#C[C@@H](NC(=O)NCCN(C)C1CC1)c1ccc(Cl)cc1 ZINC000491778708 406714155 /nfs/dbraw/zinc/71/41/55/406714155.db2.gz YPJAMGNSFKPZEH-OAHLLOKOSA-N 0 3 305.809 2.408 20 30 DEEDHN COc1cccc(C[C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000574564423 406783963 /nfs/dbraw/zinc/78/39/63/406783963.db2.gz HLKNNDHOBDTQOH-RDJZCZTQSA-N 0 3 315.417 2.250 20 30 DEEDHN N#CCCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000576940786 406834025 /nfs/dbraw/zinc/83/40/25/406834025.db2.gz DRWFJHYFUHMOOL-INIZCTEOSA-N 0 3 300.406 2.412 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000646572129 406881903 /nfs/dbraw/zinc/88/19/03/406881903.db2.gz WCKCUNKXKCZVED-KBPBESRZSA-N 0 3 308.447 2.184 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000646572130 406882091 /nfs/dbraw/zinc/88/20/91/406882091.db2.gz WCKCUNKXKCZVED-KGLIPLIRSA-N 0 3 308.447 2.184 20 30 DEEDHN CC#CC[C@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000641769364 406888413 /nfs/dbraw/zinc/88/84/13/406888413.db2.gz UEFPBZITPQTXMT-GOSISDBHSA-N 0 3 311.429 2.412 20 30 DEEDHN CC#CC[C@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000641768943 406888541 /nfs/dbraw/zinc/88/85/41/406888541.db2.gz MGFOSIZTPMXVRH-CYBMUJFWSA-N 0 3 301.308 2.492 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000555459555 406844002 /nfs/dbraw/zinc/84/40/02/406844002.db2.gz ZPCQPBULBCBDIW-KCQAQPDRSA-N 0 3 314.433 2.358 20 30 DEEDHN N=C(NCc1nnc2n1CCCCC2)Nc1cc(F)ccc1F ZINC000262319996 225267927 /nfs/dbraw/zinc/26/79/27/225267927.db2.gz VMXCTWYLLAYMKP-UHFFFAOYSA-N 0 3 320.347 2.210 20 30 DEEDHN CCc1noc(C)c1CON=C(N)c1ccc(CN(C)C)cc1 ZINC000268145151 225378247 /nfs/dbraw/zinc/37/82/47/225378247.db2.gz SEEBLROBZDPPPD-UHFFFAOYSA-N 0 3 316.405 2.444 20 30 DEEDHN COc1ccc(CN(CCO)CCCSCC#N)c(OC)c1 ZINC000266767820 225340612 /nfs/dbraw/zinc/34/06/12/225340612.db2.gz VABWIQJEDPQFAV-UHFFFAOYSA-N 0 3 324.446 2.145 20 30 DEEDHN COCCN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279178772 225484285 /nfs/dbraw/zinc/48/42/85/225484285.db2.gz BEFVJYNPTGBTRW-KRWDZBQOSA-N 0 3 313.401 2.372 20 30 DEEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)CCN1CC(C)(C)O ZINC000331279121 226076832 /nfs/dbraw/zinc/07/68/32/226076832.db2.gz AOFHZKANFWDRHG-HNNXBMFYSA-N 0 3 301.434 2.030 20 30 DEEDHN COc1cccc(C2(NCCOCCC#N)CCOCC2)c1F ZINC000339132553 226181016 /nfs/dbraw/zinc/18/10/16/226181016.db2.gz QWZWRNSXLMSNML-UHFFFAOYSA-N 0 3 322.380 2.360 20 30 DEEDHN Cn1cnnc1[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339361184 226186297 /nfs/dbraw/zinc/18/62/97/226186297.db2.gz ZWAGGNQKUMGRFA-HOTGVXAUSA-N 0 3 323.400 2.251 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCCC#N)CCN1Cc1ccccc1 ZINC000334076810 226113657 /nfs/dbraw/zinc/11/36/57/226113657.db2.gz SNIMBHNUNPDHMZ-HOCLYGCPSA-N 0 3 300.406 2.252 20 30 DEEDHN C[C@H]1CCCCN1CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000337910051 226150235 /nfs/dbraw/zinc/15/02/35/226150235.db2.gz XMLPMOIESGYVFH-HNNXBMFYSA-N 0 3 317.408 2.351 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000337910053 226150863 /nfs/dbraw/zinc/15/08/63/226150863.db2.gz XMLPMOIESGYVFH-OAHLLOKOSA-N 0 3 317.408 2.351 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000291181466 222200373 /nfs/dbraw/zinc/20/03/73/222200373.db2.gz FEHGKZBDEQYWSK-WMZOPIPTSA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000291412600 222373554 /nfs/dbraw/zinc/37/35/54/222373554.db2.gz CJCBTFDHCTUMAK-OAHLLOKOSA-N 0 3 308.809 2.140 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COCC2CCCC2)C[C@@H]1C ZINC001328255955 1148757093 /nfs/dbraw/zinc/75/70/93/1148757093.db2.gz JPRQPOGXJCWOTR-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCCO[C@H](CF)C1 ZINC000413866840 228388980 /nfs/dbraw/zinc/38/89/80/228388980.db2.gz GHQHKGULYGGJLS-HZPDHXFCSA-N 0 3 304.365 2.346 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2cc(C)ccc2F)C[C@@H]1C ZINC001328262498 1148757875 /nfs/dbraw/zinc/75/78/75/1148757875.db2.gz XQIADQXBZQFOPF-GJZGRUSLSA-N 0 3 318.392 2.115 20 30 DEEDHN COCCCN1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302226399 230184109 /nfs/dbraw/zinc/18/41/09/230184109.db2.gz WAJOZOYBUDHMJR-UHFFFAOYSA-N 0 3 318.377 2.379 20 30 DEEDHN CN1CCC[C@@H](CNc2cc(C#N)cnn2)[C@H]1c1cccs1 ZINC000596144472 425019320 /nfs/dbraw/zinc/01/93/20/425019320.db2.gz FEIRITDADOPPMZ-BBRMVZONSA-N 0 3 313.430 2.905 20 30 DEEDHN CC(C)CN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000439087282 425036983 /nfs/dbraw/zinc/03/69/83/425036983.db2.gz CWEVFMBUMKJZHL-AWEZNQCLSA-N 0 3 317.393 2.784 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H]1CCCOC1 ZINC000352232562 425044365 /nfs/dbraw/zinc/04/43/65/425044365.db2.gz VOXALSNTOGDCLA-SJORKVTESA-N 0 3 305.418 2.266 20 30 DEEDHN Cc1[nH]nc(NC(=O)c2oc3ccccc3c2CN(C)C)c1C#N ZINC000431665423 425013208 /nfs/dbraw/zinc/01/32/08/425013208.db2.gz FIBLVZOCKJHQJH-UHFFFAOYSA-N 0 3 323.356 2.650 20 30 DEEDHN C=CCCn1cc(CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)nn1 ZINC000653663837 425206078 /nfs/dbraw/zinc/20/60/78/425206078.db2.gz PEGVTHGNNBUJPD-QZTJIDSGSA-N 0 3 311.433 2.389 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C)[C@@H]2CCO)CC1 ZINC000664015007 425289424 /nfs/dbraw/zinc/28/94/24/425289424.db2.gz CRADRZKFAHAQQM-RDJZCZTQSA-N 0 3 323.481 2.219 20 30 DEEDHN CCOC[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528383750 267142052 /nfs/dbraw/zinc/14/20/52/267142052.db2.gz UAIYHUHHXHKOCE-RDJZCZTQSA-N 0 3 318.417 2.046 20 30 DEEDHN C=CCN(C[C@@H](O)COc1cccc2[nH]ccc21)[C@H](C)COC ZINC000661241941 425359195 /nfs/dbraw/zinc/35/91/95/425359195.db2.gz FDKOQKQVDDZIDD-HUUCEWRRSA-N 0 3 318.417 2.431 20 30 DEEDHN CN(CC#CCN(C)CC1=CCSC1)CC1=CCSC1 ZINC000662263719 425606691 /nfs/dbraw/zinc/60/66/91/425606691.db2.gz MJYPDTUJLIIQEU-UHFFFAOYSA-N 0 3 308.516 2.200 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831521 269085146 /nfs/dbraw/zinc/08/51/46/269085146.db2.gz VKZVXAMHLCQPHY-INIZCTEOSA-N 0 3 320.396 2.026 20 30 DEEDHN COC(=O)N1CCC(CNCc2ccc(C#N)cc2F)CC1 ZINC000495749772 269174692 /nfs/dbraw/zinc/17/46/92/269174692.db2.gz NETUVQRMTBEVRC-UHFFFAOYSA-N 0 3 305.353 2.265 20 30 DEEDHN Cc1noc(C)c1[C@H](C)CNCc1cnc2c(C#N)cnn2c1 ZINC000519825093 269429814 /nfs/dbraw/zinc/42/98/14/269429814.db2.gz MPJJOXAXCOBXKV-SNVBAGLBSA-N 0 3 310.361 2.099 20 30 DEEDHN CS[C@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1N(C)C ZINC000271422830 274187572 /nfs/dbraw/zinc/18/75/72/274187572.db2.gz VHHYMYUZSJWDAF-IUCAKERBSA-N 0 3 302.856 2.150 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=S)NC[C@H]1CCCN1CC ZINC000491071705 275381219 /nfs/dbraw/zinc/38/12/19/275381219.db2.gz MXERDPIFRJYFFC-QGZVFWFLSA-N 0 3 315.486 2.481 20 30 DEEDHN C#CCNC(=O)CCNC(C)(C)c1cc(Cl)ccc1OC ZINC000491786352 275383084 /nfs/dbraw/zinc/38/30/84/275383084.db2.gz WJFZLUIRDPBQRX-UHFFFAOYSA-N 0 3 308.809 2.313 20 30 DEEDHN C#Cc1ccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000289882416 275388114 /nfs/dbraw/zinc/38/81/14/275388114.db2.gz WEAALSLRZFVENL-GOSISDBHSA-N 0 3 311.429 2.438 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000452022917 276337723 /nfs/dbraw/zinc/33/77/23/276337723.db2.gz QCBNRCOOAWDXCU-HUUCEWRRSA-N 0 3 307.438 2.218 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)CC1 ZINC000332482565 276862207 /nfs/dbraw/zinc/86/22/07/276862207.db2.gz QGNLWPMTSXKBMP-FVQBIDKESA-N 0 3 323.481 2.386 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000290107587 276902348 /nfs/dbraw/zinc/90/23/48/276902348.db2.gz JHRGYPHPGREKEF-PBHICJAKSA-N 0 3 314.429 2.361 20 30 DEEDHN C[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000420812360 278322465 /nfs/dbraw/zinc/32/24/65/278322465.db2.gz GDZJYWVNAAXBGV-CZUORRHYSA-N 0 3 300.406 2.355 20 30 DEEDHN CC[C@H](N[C@@H]1CCOC[C@@H]1OCCOC)c1ccc(C#N)cc1 ZINC000447602178 288070877 /nfs/dbraw/zinc/07/08/77/288070877.db2.gz RQAPVIDMARECJX-KSZLIROESA-N 0 3 318.417 2.419 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000328623013 288125381 /nfs/dbraw/zinc/12/53/81/288125381.db2.gz YNVMQGXDMHRJCZ-UWLZSVRSSA-N 0 3 304.438 2.303 20 30 DEEDHN O=C(NCCN1CCCCC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328715118 279716552 /nfs/dbraw/zinc/71/65/52/279716552.db2.gz STFLYPWXGSQUHL-ZDUSSCGKSA-N 0 3 308.426 2.018 20 30 DEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@@H]1[C@@H]1CCCO1 ZINC000329602352 281146523 /nfs/dbraw/zinc/14/65/23/281146523.db2.gz KXJXOODCWNTCOD-BYCMXARLSA-N 0 3 318.421 2.070 20 30 DEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)[C@@H]1[C@@H]1CCCO1 ZINC000329602352 281146525 /nfs/dbraw/zinc/14/65/25/281146525.db2.gz KXJXOODCWNTCOD-BYCMXARLSA-N 0 3 318.421 2.070 20 30 DEEDHN Fc1ccc(C#CCN[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000365620448 303129600 /nfs/dbraw/zinc/12/96/00/303129600.db2.gz HJWQYVQFBYHTNM-OALUTQOASA-N 0 3 316.420 2.410 20 30 DEEDHN CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)C#CC1CC1 ZINC001099069042 782083813 /nfs/dbraw/zinc/08/38/13/782083813.db2.gz AAIDLWQUDVZZKX-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccccc2C)C[C@@H]1C ZINC001328283373 1148765907 /nfs/dbraw/zinc/76/59/07/1148765907.db2.gz KTHYXNCDSZZSRY-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN N#Cc1cccc(CNC(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000574906067 326199708 /nfs/dbraw/zinc/19/97/08/326199708.db2.gz QOGZYQCXWVVJIX-GOSISDBHSA-N 0 3 320.396 2.244 20 30 DEEDHN Cc1cc(CNCc2ccnc(N3CCOCC3)c2)ccc1C#N ZINC000575201381 326228766 /nfs/dbraw/zinc/22/87/66/326228766.db2.gz JOLIPNXTZPHZDK-UHFFFAOYSA-N 0 3 322.412 2.388 20 30 DEEDHN COC(=O)c1ccc(NC[C@@H](C)N2CCC[C@H](C)C2)c(C#N)n1 ZINC000575430189 326239563 /nfs/dbraw/zinc/23/95/63/326239563.db2.gz SLHWIBOWYLSGLI-QWHCGFSZSA-N 0 3 316.405 2.272 20 30 DEEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H](O)CN(C)CCC#N ZINC000570444499 332756267 /nfs/dbraw/zinc/75/62/67/332756267.db2.gz QJETYIQMWNGHOS-GLJUWKHASA-N 0 3 319.424 2.245 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(-c2ccncc2)cc1 ZINC000582058348 333193353 /nfs/dbraw/zinc/19/33/53/333193353.db2.gz XORQNKBGUBROKW-IBGZPJMESA-N 0 3 324.428 2.045 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000582101788 333223086 /nfs/dbraw/zinc/22/30/86/333223086.db2.gz VNNJICUJBXOZQH-KRWDZBQOSA-N 0 3 321.421 2.189 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccn(C(C)C)n2)CC1 ZINC000571246019 333689906 /nfs/dbraw/zinc/68/99/06/333689906.db2.gz CEGCXLZEYDHXIZ-UHFFFAOYSA-N 0 3 319.453 2.304 20 30 DEEDHN CN(CCNC(=O)NCC1(CC#N)CC1)Cc1ccccc1 ZINC000430441311 334158321 /nfs/dbraw/zinc/15/83/21/334158321.db2.gz NXSMIUIOHWJEPU-UHFFFAOYSA-N 0 3 300.406 2.111 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](CCC)CCCC)CC1 ZINC000343763055 335191333 /nfs/dbraw/zinc/19/13/33/335191333.db2.gz JNYVZPXARQWCDF-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(-n2cccn2)cc1 ZINC000526135389 336230485 /nfs/dbraw/zinc/23/04/85/336230485.db2.gz VHWZQVSCMJILDR-AWEZNQCLSA-N 0 3 323.400 2.085 20 30 DEEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000042185276 336237195 /nfs/dbraw/zinc/23/71/95/336237195.db2.gz WGJBVMAOJVVEOI-INIZCTEOSA-N 0 3 304.390 2.059 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)[C@H]1C ZINC001088985466 782099138 /nfs/dbraw/zinc/09/91/38/782099138.db2.gz ZOOMKHRNQMQAJB-HFTRVMKXSA-N 0 3 314.429 2.454 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000563977105 336389369 /nfs/dbraw/zinc/38/93/69/336389369.db2.gz ZVCBWAJWPOOHOO-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN CN1CCC[C@]2(CCN(c3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000582237501 336389886 /nfs/dbraw/zinc/38/98/86/336389886.db2.gz QAQNZOJHRIYRFI-INIZCTEOSA-N 0 3 300.362 2.389 20 30 DEEDHN COC(=O)[C@]1(C(F)(F)F)CCN(CCCSCC#N)C1 ZINC000375787299 337019540 /nfs/dbraw/zinc/01/95/40/337019540.db2.gz OFZWLQFGRXKBGC-NSHDSACASA-N 0 3 310.341 2.061 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000582782398 337158786 /nfs/dbraw/zinc/15/87/86/337158786.db2.gz XGFLNJFRNBSEOO-OAHLLOKOSA-N 0 3 306.454 2.444 20 30 DEEDHN COc1ccc(CN2CC[C@](C)(O)C2)cc1OCCCC#N ZINC000180198221 337175291 /nfs/dbraw/zinc/17/52/91/337175291.db2.gz BXVISKSLYWBMQS-KRWDZBQOSA-N 0 3 304.390 2.334 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000113333718 337390992 /nfs/dbraw/zinc/39/09/92/337390992.db2.gz ISEZUWKXYYPWEA-MRXNPFEDSA-N 0 3 310.401 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000264468738 337632614 /nfs/dbraw/zinc/63/26/14/337632614.db2.gz IGHLHGXYAOWLSB-CYBMUJFWSA-N 0 3 306.381 2.360 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nnc(-c2ccccc2)n1C ZINC000429726386 338088544 /nfs/dbraw/zinc/08/85/44/338088544.db2.gz RCLUCNNHRDKUJN-UHFFFAOYSA-N 0 3 313.449 2.422 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1CCO)C(C)C ZINC000429941617 338092422 /nfs/dbraw/zinc/09/24/22/338092422.db2.gz KQNFEQIMVOSVBS-DLBZAZTESA-N 0 3 323.481 2.241 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCOCCC#N)C1 ZINC000496212104 340000645 /nfs/dbraw/zinc/00/06/45/340000645.db2.gz JDOPFYWHGLKCRY-MRXNPFEDSA-N 0 3 311.426 2.153 20 30 DEEDHN N#CCCC[C@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1ccccc1 ZINC000496580593 340008212 /nfs/dbraw/zinc/00/82/12/340008212.db2.gz IKUZMVSMURYGFB-AWEZNQCLSA-N 0 3 318.377 2.206 20 30 DEEDHN N#CCCC[C@H]([NH2+]CCCOC([O-])=NC(N)=O)c1ccccc1 ZINC000496580593 340008213 /nfs/dbraw/zinc/00/82/13/340008213.db2.gz IKUZMVSMURYGFB-AWEZNQCLSA-N 0 3 318.377 2.206 20 30 DEEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC1CCN(C)CC1 ZINC000497086130 340019944 /nfs/dbraw/zinc/01/99/44/340019944.db2.gz XWBZWYWNOADUOT-CYBMUJFWSA-N 0 3 324.469 2.303 20 30 DEEDHN CC[C@H](NCC(=O)NCC#N)c1ccc(Br)cc1 ZINC000507221192 340214145 /nfs/dbraw/zinc/21/41/45/340214145.db2.gz GQFCHFBMHGQCKE-LBPRGKRZSA-N 0 3 310.195 2.130 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000132413072 341122456 /nfs/dbraw/zinc/12/24/56/341122456.db2.gz GODBNELGGMQKDK-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CC[C@H](CC)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000545986971 341149878 /nfs/dbraw/zinc/14/98/78/341149878.db2.gz SZSOPXCTUGXCLZ-FUHWJXTLSA-N 0 3 302.418 2.094 20 30 DEEDHN Cc1ccc(F)c(CNC2(CNC(=O)[C@H](C)C#N)CCC2)c1 ZINC001376722326 1159724273 /nfs/dbraw/zinc/72/42/73/1159724273.db2.gz PAXKMCNZXRRYTN-CYBMUJFWSA-N 0 3 303.381 2.422 20 30 DEEDHN C=CCCC(=O)NC[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001357087845 1152240829 /nfs/dbraw/zinc/24/08/29/1152240829.db2.gz LGMRMYHTDONXQI-JKSUJKDBSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001397167756 1160029605 /nfs/dbraw/zinc/02/96/05/1160029605.db2.gz DWTPNZDFPORTPP-GUTXKFCHSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2cc[nH]n2)CCCC[C@@H]1C ZINC001378410577 1152320241 /nfs/dbraw/zinc/32/02/41/1152320241.db2.gz FBFSTQLYXIVBSO-LRDDRELGSA-N 0 3 324.856 2.359 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001329877086 1149008108 /nfs/dbraw/zinc/00/81/08/1149008108.db2.gz UCDUMEAOVGMURO-WNRNVDISSA-N 0 3 320.477 2.337 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001329924958 1149017587 /nfs/dbraw/zinc/01/75/87/1149017587.db2.gz YMKDDXNDOUVRFG-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](CC(=C)C)NC(C)=O ZINC001329935492 1149018280 /nfs/dbraw/zinc/01/82/80/1149018280.db2.gz CVZSZVPUPDGEDP-IRXDYDNUSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2Cl)[C@H]1C ZINC001089049624 782138200 /nfs/dbraw/zinc/13/82/00/782138200.db2.gz UPKMSARQAPKMNO-OLZOCXBDSA-N 0 3 322.840 2.081 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001330047417 1149041209 /nfs/dbraw/zinc/04/12/09/1149041209.db2.gz LPUXGPUTHRRCSG-HUUCEWRRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001330060871 1149043730 /nfs/dbraw/zinc/04/37/30/1149043730.db2.gz NHMNSIHQLYPCPU-XOKHGSTOSA-N 0 3 306.450 2.062 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001330087392 1149048496 /nfs/dbraw/zinc/04/84/96/1149048496.db2.gz YSXDAWCBEWMTFX-MRXNPFEDSA-N 0 3 310.441 2.486 20 30 DEEDHN CC(C)CC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001378683333 1152415137 /nfs/dbraw/zinc/41/51/37/1152415137.db2.gz XACKSRRCWLYPRX-NNZMDNLPSA-N 0 3 311.429 2.398 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2[nH]cnc2C)CCCC1 ZINC001378714559 1152421681 /nfs/dbraw/zinc/42/16/81/1152421681.db2.gz KPZWTJAEVXPFAW-UHFFFAOYSA-N 0 3 310.829 2.032 20 30 DEEDHN C[C@@H](CNCc1ccccc1F)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001378756904 1152436434 /nfs/dbraw/zinc/43/64/34/1152436434.db2.gz HYFYIOXPGZVSHC-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001378759732 1152437584 /nfs/dbraw/zinc/43/75/84/1152437584.db2.gz OJGVARYDCLIRPQ-OSYLJGHBSA-N 0 3 311.429 2.398 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000338728812 533899240 /nfs/dbraw/zinc/89/92/40/533899240.db2.gz UMULESCRTSCTJQ-WMLDXEAASA-N 0 3 317.408 2.159 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(C(F)F)c2)C1 ZINC001368822731 1148690658 /nfs/dbraw/zinc/69/06/58/1148690658.db2.gz NUEZJXRYIKCOTI-UHFFFAOYSA-N 0 3 318.755 2.129 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cncc(COC)c2)C1 ZINC001378844864 1152465635 /nfs/dbraw/zinc/46/56/35/1152465635.db2.gz MKSNSGLAKREYOU-NNUKFRKNSA-N 0 3 323.824 2.079 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001401663372 1162064854 /nfs/dbraw/zinc/06/48/54/1162064854.db2.gz AQQLPQQSDBAIJI-LLVKDONJSA-N 0 3 302.403 2.164 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000345797006 534283087 /nfs/dbraw/zinc/28/30/87/534283087.db2.gz WWPCDCBXHKHJKX-BDAKNGLRSA-N 0 3 317.172 2.009 20 30 DEEDHN Cc1nsc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000297412600 534515248 /nfs/dbraw/zinc/51/52/48/534515248.db2.gz LNQHSJHMIXLFNG-CMPLNLGQSA-N 0 3 319.434 2.414 20 30 DEEDHN CCN(CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CC1 ZINC000162656089 521049525 /nfs/dbraw/zinc/04/95/25/521049525.db2.gz IRYHHWOBWULESM-UHFFFAOYSA-N 0 3 315.417 2.316 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453361751 534610323 /nfs/dbraw/zinc/61/03/23/534610323.db2.gz PKAHLYLYKZFKAN-GDLCADMTSA-N 0 3 313.394 2.223 20 30 DEEDHN N#CCOc1ccc(CN2CCC(C3OCCO3)CC2)cc1 ZINC000264573312 534693373 /nfs/dbraw/zinc/69/33/73/534693373.db2.gz SPDNFAUKXPLDIO-UHFFFAOYSA-N 0 3 302.374 2.174 20 30 DEEDHN N#C[C@@H]1CSCCN1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000271726887 534739023 /nfs/dbraw/zinc/73/90/23/534739023.db2.gz MTQOIVYPBQNNPZ-MRXNPFEDSA-N 0 3 315.442 2.364 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000442708859 534755207 /nfs/dbraw/zinc/75/52/07/534755207.db2.gz LWGJDECNGPLPER-JKSUJKDBSA-N 0 3 306.431 2.273 20 30 DEEDHN N#Cc1ccnc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000295712461 534823719 /nfs/dbraw/zinc/82/37/19/534823719.db2.gz RYVBGQLUTZYGEY-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN Cc1nc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c(C)o1 ZINC000330580923 534868228 /nfs/dbraw/zinc/86/82/28/534868228.db2.gz UJQXSMGUJFVEHV-UHFFFAOYSA-N 0 3 308.426 2.012 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000246770233 525958114 /nfs/dbraw/zinc/95/81/14/525958114.db2.gz AVJKSKUGVGXIGD-DZKIICNBSA-N 0 3 313.401 2.021 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246770274 525959324 /nfs/dbraw/zinc/95/93/24/525959324.db2.gz AVJKSKUGVGXIGD-YCPHGPKFSA-N 0 3 313.401 2.021 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC3(CC(OCC)C3)C2)CC1 ZINC000376327947 526425555 /nfs/dbraw/zinc/42/55/55/526425555.db2.gz NZKWCFYEBLGTHJ-UHFFFAOYSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOC3(CCCCC3)C2)CC1 ZINC000369744344 526428469 /nfs/dbraw/zinc/42/84/69/526428469.db2.gz QRBVOMAMYQVORY-UHFFFAOYSA-N 0 3 321.465 2.382 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337258704 526440277 /nfs/dbraw/zinc/44/02/77/526440277.db2.gz VEDYVNWBEKVMMV-QWHCGFSZSA-N 0 3 317.380 2.096 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C2(OC)CCC2)CC1 ZINC000413229394 526593237 /nfs/dbraw/zinc/59/32/37/526593237.db2.gz COFDTQOZNBFVEL-CQSZACIVSA-N 0 3 309.454 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000246799929 526593974 /nfs/dbraw/zinc/59/39/74/526593974.db2.gz IGPBBKVBXOSDNN-ARFHVFGLSA-N 0 3 321.465 2.140 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)[C@H](C)CC)cc1 ZINC000262323220 526618279 /nfs/dbraw/zinc/61/82/79/526618279.db2.gz SEMWPOKRXRWURQ-BXUZGUMPSA-N 0 3 304.394 2.306 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000341569906 526706647 /nfs/dbraw/zinc/70/66/47/526706647.db2.gz XAOZTXZJXNOTJM-HNNXBMFYSA-N 0 3 308.447 2.330 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000297445448 526806799 /nfs/dbraw/zinc/80/67/99/526806799.db2.gz JJFGLQKYZZDYBQ-CQSZACIVSA-N 0 3 303.406 2.050 20 30 DEEDHN C=C(CC)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000341378998 526850670 /nfs/dbraw/zinc/85/06/70/526850670.db2.gz SXNBREMGQSHVOD-SFHVURJKSA-N 0 3 313.401 2.149 20 30 DEEDHN C#CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000299269508 526902041 /nfs/dbraw/zinc/90/20/41/526902041.db2.gz KVGOYPUDLSXOMA-UHFFFAOYSA-N 0 3 317.345 2.030 20 30 DEEDHN C=CCOc1cccc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)c1 ZINC000374581222 526904562 /nfs/dbraw/zinc/90/45/62/526904562.db2.gz ZNHHMTCIOABQBT-SJORKVTESA-N 0 3 300.402 2.494 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000341524691 526967975 /nfs/dbraw/zinc/96/79/75/526967975.db2.gz KSBSMSMZELUSHN-OLZOCXBDSA-N 0 3 301.390 2.001 20 30 DEEDHN CC(C)(CCCO)CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000330636612 527015015 /nfs/dbraw/zinc/01/50/15/527015015.db2.gz AJSCDFZMZONMRQ-UHFFFAOYSA-N 0 3 311.470 2.259 20 30 DEEDHN C=CCC(C)(C)CNCc1c(C)nn(C)c1N1CCOCC1 ZINC000292918106 527018000 /nfs/dbraw/zinc/01/80/00/527018000.db2.gz HXRXSOLCOLSUKJ-UHFFFAOYSA-N 0 3 306.454 2.257 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000295151947 527082955 /nfs/dbraw/zinc/08/29/55/527082955.db2.gz PQGFKAJFOBUYJF-JFIYKMOQSA-N 0 3 314.429 2.194 20 30 DEEDHN C=CCCCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373321299 527151836 /nfs/dbraw/zinc/15/18/36/527151836.db2.gz FQXDEXMFFVDGSE-HNNXBMFYSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000337863655 527270073 /nfs/dbraw/zinc/27/00/73/527270073.db2.gz OSMBLOUAOUYESM-OAHLLOKOSA-N 0 3 314.437 2.236 20 30 DEEDHN C=CCn1c(CC(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC000337824951 527311969 /nfs/dbraw/zinc/31/19/69/527311969.db2.gz VEMOTSSVOWTCPG-UHFFFAOYSA-N 0 3 303.454 2.195 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370503642 527377862 /nfs/dbraw/zinc/37/78/62/527377862.db2.gz WBOYQIWBQPPLDE-LSDHHAIUSA-N 0 3 318.417 2.323 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418358545 527470112 /nfs/dbraw/zinc/47/01/12/527470112.db2.gz RPCHGOFPOJJNFD-SJORKVTESA-N 0 3 319.449 2.436 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000339134775 527629348 /nfs/dbraw/zinc/62/93/48/527629348.db2.gz KTKHIHAHHPTNBB-WBVHZDCISA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnn2c1CCC2)C(C)C ZINC000294902389 527650271 /nfs/dbraw/zinc/65/02/71/527650271.db2.gz HLWJROCCTAJEBU-QGZVFWFLSA-N 0 3 316.449 2.258 20 30 DEEDHN CCN1C[C@H](C)N(CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000331351116 527970252 /nfs/dbraw/zinc/97/02/52/527970252.db2.gz OBZPBJONFLVSOR-RYUDHWBXSA-N 0 3 318.421 2.121 20 30 DEEDHN CCCCCCCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000368047869 528136011 /nfs/dbraw/zinc/13/60/11/528136011.db2.gz VHINSWJOJOUAQN-HNNXBMFYSA-N 0 3 302.484 2.314 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000333724679 528355452 /nfs/dbraw/zinc/35/54/52/528355452.db2.gz SBYASKYTCMKQLK-CVEARBPZSA-N 0 3 319.449 2.030 20 30 DEEDHN CC(C)c1nnc(CON=C(N)c2ccc(CN(C)C)cc2)o1 ZINC000269095144 528448222 /nfs/dbraw/zinc/44/82/22/528448222.db2.gz QHVKXNXELZXLHQ-UHFFFAOYSA-N 0 3 317.393 2.092 20 30 DEEDHN CC(C)n1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cn1 ZINC000330975932 528545146 /nfs/dbraw/zinc/54/51/46/528545146.db2.gz UABCKUGORWWTBU-UHFFFAOYSA-N 0 3 321.469 2.185 20 30 DEEDHN CC(C)[C@H](NCC(=O)Nc1cccc(C#N)c1)C1(CO)CCC1 ZINC000293096269 529119242 /nfs/dbraw/zinc/11/92/42/529119242.db2.gz PWLOCJLTLCZERN-KRWDZBQOSA-N 0 3 315.417 2.274 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000367333971 536453029 /nfs/dbraw/zinc/45/30/29/536453029.db2.gz WROMIWYJXDWZLD-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN CN(C)C1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000283964547 538127396 /nfs/dbraw/zinc/12/73/96/538127396.db2.gz YZCLNAGRBPAEAV-UHFFFAOYSA-N 0 3 306.291 2.274 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1cc(C#N)ccc1F ZINC001378970484 1152512865 /nfs/dbraw/zinc/51/28/65/1152512865.db2.gz UDNOIRVOPJGUDD-LRDDRELGSA-N 0 3 316.380 2.087 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001426148642 1174618628 /nfs/dbraw/zinc/61/86/28/1174618628.db2.gz ZLRNWTUPXSYYDE-FZMZJTMJSA-N 0 3 306.385 2.001 20 30 DEEDHN Cc1nc(Cl)ccc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835072196 649875559 /nfs/dbraw/zinc/87/55/59/649875559.db2.gz COERXVMUWMMNOK-CYBMUJFWSA-N 0 3 319.792 2.354 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H](C)C1CC1 ZINC001379361360 1152615222 /nfs/dbraw/zinc/61/52/22/1152615222.db2.gz PDGVDWAKFHMKOQ-NEPJUHHUSA-N 0 3 303.381 2.338 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC000835338931 649907953 /nfs/dbraw/zinc/90/79/53/649907953.db2.gz BQAOIQLGUQRELG-VNQPRFMTSA-N 0 3 312.369 2.001 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735397628 598362891 /nfs/dbraw/zinc/36/28/91/598362891.db2.gz ATACNMYWIWBWBJ-UHFFFAOYSA-N 0 3 316.384 2.458 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735397628 598362893 /nfs/dbraw/zinc/36/28/93/598362893.db2.gz ATACNMYWIWBWBJ-UHFFFAOYSA-N 0 3 316.384 2.458 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735413142 599476430 /nfs/dbraw/zinc/47/64/30/599476430.db2.gz OSQHECRWJLPPIR-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735413142 599476432 /nfs/dbraw/zinc/47/64/32/599476432.db2.gz OSQHECRWJLPPIR-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735413142 599476434 /nfs/dbraw/zinc/47/64/34/599476434.db2.gz OSQHECRWJLPPIR-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735413142 599476436 /nfs/dbraw/zinc/47/64/36/599476436.db2.gz OSQHECRWJLPPIR-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN COc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1-c1nnn[n-]1 ZINC000826202479 607567293 /nfs/dbraw/zinc/56/72/93/607567293.db2.gz BHUQTJINYPCQAG-UHFFFAOYSA-N 0 3 314.393 2.295 20 30 DEEDHN COc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1-c1nn[n-]n1 ZINC000826202479 607567295 /nfs/dbraw/zinc/56/72/95/607567295.db2.gz BHUQTJINYPCQAG-UHFFFAOYSA-N 0 3 314.393 2.295 20 30 DEEDHN CCN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCN(C)C1 ZINC001363244306 1153289228 /nfs/dbraw/zinc/28/92/28/1153289228.db2.gz VWCHBEIJUUITQZ-CQSZACIVSA-N 0 3 303.431 2.468 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001023465571 625281114 /nfs/dbraw/zinc/28/11/14/625281114.db2.gz XAYXLHOERODGLG-OAHLLOKOSA-N 0 3 324.428 2.336 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001025233076 625294696 /nfs/dbraw/zinc/29/46/96/625294696.db2.gz UAHGFNCTWAXBDG-HUUCEWRRSA-N 0 3 302.422 2.363 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccnc3ccncc32)C1 ZINC001023512585 625303879 /nfs/dbraw/zinc/30/38/79/625303879.db2.gz QFQAMUXJRNBEMI-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001023561524 625326125 /nfs/dbraw/zinc/32/61/25/625326125.db2.gz CTKAZZMEMRUIBO-NSHDSACASA-N 0 3 310.319 2.179 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001023635152 625366353 /nfs/dbraw/zinc/36/63/53/625366353.db2.gz ACHHUXLVGBXNQA-DQEVTTJGSA-N 0 3 308.425 2.034 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001023692464 625390823 /nfs/dbraw/zinc/39/08/23/625390823.db2.gz AGSMVGGFCCFOLH-HOCLYGCPSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ncsc2C(C)C)C1 ZINC001023695663 625393457 /nfs/dbraw/zinc/39/34/57/625393457.db2.gz DUNJBEUBEHNMPV-ZDUSSCGKSA-N 0 3 305.447 2.342 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2OC)C1 ZINC001023716790 625396562 /nfs/dbraw/zinc/39/65/62/625396562.db2.gz SEBDWDBYKSDXAO-OAHLLOKOSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccccc2OCC)C1 ZINC001023730260 625407019 /nfs/dbraw/zinc/40/70/19/625407019.db2.gz XAWOLGGXSMLAOK-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001025432265 625428854 /nfs/dbraw/zinc/42/88/54/625428854.db2.gz SYEGCBAQFJUELJ-CVEARBPZSA-N 0 3 316.449 2.003 20 30 DEEDHN Cc1conc1C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972682025 625437687 /nfs/dbraw/zinc/43/76/87/625437687.db2.gz BLMQZXWWMZJQCP-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001025445825 625442476 /nfs/dbraw/zinc/44/24/76/625442476.db2.gz ASWFBDBIZJYWKI-GDBMZVCRSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC001025448446 625444238 /nfs/dbraw/zinc/44/42/38/625444238.db2.gz PZAXRHIGLAFDPI-WBVHZDCISA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001025455556 625447541 /nfs/dbraw/zinc/44/75/41/625447541.db2.gz GSGBAKDLMKRJGG-KBPBESRZSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001025467796 625461770 /nfs/dbraw/zinc/46/17/70/625461770.db2.gz DAWKHYRAQORJMN-LSDHHAIUSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cncc3[nH]ccc32)C1 ZINC001025467934 625461998 /nfs/dbraw/zinc/46/19/98/625461998.db2.gz GJDUQUMGKDGXIP-GJZGRUSLSA-N 0 3 324.428 2.417 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001023888967 625469835 /nfs/dbraw/zinc/46/98/35/625469835.db2.gz GVBSPTNBZSFXNO-CQSZACIVSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nncc3ccccc32)C1 ZINC001025480957 625473840 /nfs/dbraw/zinc/47/38/40/625473840.db2.gz CEOIFYYNPMAACJ-ZBFHGGJFSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001025487054 625479299 /nfs/dbraw/zinc/47/92/99/625479299.db2.gz AGNFBOCATXPSKX-UONOGXRCSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3nccn32)C1 ZINC001025490146 625481064 /nfs/dbraw/zinc/48/10/64/625481064.db2.gz QFHIFGCSWOJBRY-CVEARBPZSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc3cnccc3c2)C1 ZINC001025490794 625482868 /nfs/dbraw/zinc/48/28/68/625482868.db2.gz TVGVAOBBQNOTRC-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC000972704930 625484613 /nfs/dbraw/zinc/48/46/13/625484613.db2.gz WILNNXXKXYOBMG-DZGCQCFKSA-N 0 3 304.438 2.495 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(F)c2F)C1 ZINC001025516749 625496686 /nfs/dbraw/zinc/49/66/86/625496686.db2.gz VWSJARUHZPXKMJ-QWHCGFSZSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(OC)cc2C)C1 ZINC001025517910 625497182 /nfs/dbraw/zinc/49/71/82/625497182.db2.gz BXRCEFSOHZFAGV-HOTGVXAUSA-N 0 3 314.429 2.467 20 30 DEEDHN Cc1cnc(CNC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC001023981664 625512534 /nfs/dbraw/zinc/51/25/34/625512534.db2.gz STCHZCOHGCNGDR-HNNXBMFYSA-N 0 3 317.458 2.193 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ocnc2C(F)F)C1 ZINC001025526896 625509605 /nfs/dbraw/zinc/50/96/05/625509605.db2.gz BUVLPMPCWAAVSG-GHMZBOCLSA-N 0 3 311.332 2.076 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001025540604 625523643 /nfs/dbraw/zinc/52/36/43/625523643.db2.gz XVQZTTOARGTSEB-HUUCEWRRSA-N 0 3 316.449 2.387 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C3CC3)no2)C1 ZINC001025546982 625535744 /nfs/dbraw/zinc/53/57/44/625535744.db2.gz WHEPHWCMIYOAAO-GXTWGEPZSA-N 0 3 301.390 2.016 20 30 DEEDHN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(CC2=CCCCC2)C1 ZINC000969513733 622805456 /nfs/dbraw/zinc/80/54/56/622805456.db2.gz GLWKOUSGNHIEMF-CYBMUJFWSA-N 0 3 312.417 2.437 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1 ZINC000949289982 622807194 /nfs/dbraw/zinc/80/71/94/622807194.db2.gz SQPYBIDOABQBJX-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000969596405 622833984 /nfs/dbraw/zinc/83/39/84/622833984.db2.gz IUEKQOKXIQPBEZ-KGLIPLIRSA-N 0 3 307.344 2.136 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccnn2C2CCC2)C1 ZINC000969678153 622882113 /nfs/dbraw/zinc/88/21/13/622882113.db2.gz UMDPNPZNVOFHOB-ZDUSSCGKSA-N 0 3 302.422 2.234 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC000969697238 622888740 /nfs/dbraw/zinc/88/87/40/622888740.db2.gz RNLIAOGUFNODGR-XIRDDKMYSA-N 0 3 308.466 2.450 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001025592002 625605430 /nfs/dbraw/zinc/60/54/30/625605430.db2.gz JRTYWEMLANUJAY-UONOGXRCSA-N 0 3 317.433 2.436 20 30 DEEDHN CC(F)(F)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026638373 625606508 /nfs/dbraw/zinc/60/65/08/625606508.db2.gz CPEHTLVZIJIHJH-GFCCVEGCSA-N 0 3 307.344 2.152 20 30 DEEDHN 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C#CCCN1CC([C@H](C)NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000970734234 623649194 /nfs/dbraw/zinc/64/91/94/623649194.db2.gz CUKCLKVOCGMCBZ-HNNXBMFYSA-N 0 3 309.413 2.321 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC000970760001 623664640 /nfs/dbraw/zinc/66/46/40/623664640.db2.gz AAUDKDPPTBUHAY-GOEBONIOSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccccc2OCC)C1 ZINC000970820287 623715595 /nfs/dbraw/zinc/71/55/95/623715595.db2.gz ICLIJRJMFYYJJT-AWEZNQCLSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2oc(C)cc2C)C1 ZINC001021553819 623743994 /nfs/dbraw/zinc/74/39/94/623743994.db2.gz JRSWLMQKIGRFCX-CVEARBPZSA-N 0 3 300.402 2.456 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cnccc2C)C1 ZINC001021554968 623745756 /nfs/dbraw/zinc/74/57/56/623745756.db2.gz MBRRRLRSWJQIIC-AEFFLSMTSA-N 0 3 311.429 2.340 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(OC)ccc2OC)C1 ZINC000970859190 623746913 /nfs/dbraw/zinc/74/69/13/623746913.db2.gz AQNGSOCMDBVQQK-CYBMUJFWSA-N 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C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH]ncc32)C1 ZINC001021649960 623902706 /nfs/dbraw/zinc/90/27/06/623902706.db2.gz WCKWWUSUEKVGHB-KBXCAEBGSA-N 0 3 322.412 2.123 20 30 DEEDHN N#Cc1ccc(CCOC(=O)C2CCCN(C3CC3)C2=O)cc1 ZINC000924049139 623904064 /nfs/dbraw/zinc/90/40/64/623904064.db2.gz AYLZXDSLPWOXNX-INIZCTEOSA-N 0 3 312.369 2.045 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)CCO3)C1 ZINC001021678093 623944461 /nfs/dbraw/zinc/94/44/61/623944461.db2.gz VKNWFOSLBRATIX-QZTJIDSGSA-N 0 3 324.424 2.181 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)COC3)C1 ZINC001021684668 623955734 /nfs/dbraw/zinc/95/57/34/623955734.db2.gz JMBCGCQMFPZFGD-VQIMIIECSA-N 0 3 324.424 2.277 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000971060183 623964883 /nfs/dbraw/zinc/96/48/83/623964883.db2.gz HMNSBFAUURNZBI-INIZCTEOSA-N 0 3 308.385 2.233 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(CCC)on2)C1 ZINC001021703655 623989393 /nfs/dbraw/zinc/98/93/93/623989393.db2.gz 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HJNSOQJEYKDBLO-RDJZCZTQSA-N 0 3 314.429 2.439 20 30 DEEDHN C#C[C@@H]1CCCCN1C[C@H](O)COCc1cccc(OC)c1 ZINC000934510478 624899250 /nfs/dbraw/zinc/89/92/50/624899250.db2.gz WTYBCTTZSPHYGM-SJORKVTESA-N 0 3 303.402 2.060 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001022763594 624901492 /nfs/dbraw/zinc/90/14/92/624901492.db2.gz VOCIACLVTTUFGZ-AOOOYVTPSA-N 0 3 300.189 2.338 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cn(C)nc2C2CCCC2)C1 ZINC000972291445 624917328 /nfs/dbraw/zinc/91/73/28/624917328.db2.gz AIWWUUXXWYEUIG-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC000972318203 624925865 /nfs/dbraw/zinc/92/58/65/624925865.db2.gz UHYHFJLHUIQMTL-GOSISDBHSA-N 0 3 311.429 2.395 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001024756645 625038170 /nfs/dbraw/zinc/03/81/70/625038170.db2.gz TZJIOKZURWKPSF-HOCLYGCPSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001022863034 625039066 /nfs/dbraw/zinc/03/90/66/625039066.db2.gz ZKXDCORZNWWUSU-TXEJJXNPSA-N 0 3 324.856 2.321 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1 ZINC001027676649 634429585 /nfs/dbraw/zinc/42/95/85/634429585.db2.gz DCZDYLKBHCPQKR-KRWDZBQOSA-N 0 3 314.429 2.238 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001024760887 625040612 /nfs/dbraw/zinc/04/06/12/625040612.db2.gz YKDQWCTVMFDLCX-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001024818408 625067610 /nfs/dbraw/zinc/06/76/10/625067610.db2.gz VNKVMXCVBQKVKC-ZDUSSCGKSA-N 0 3 321.446 2.007 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1COc2ccccc21 ZINC001024826684 625067985 /nfs/dbraw/zinc/06/79/85/625067985.db2.gz WVSZSBNZCJHMPI-WBVHZDCISA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000947517037 625070219 /nfs/dbraw/zinc/07/02/19/625070219.db2.gz ZPBUPYNGKNZGSD-DOTOQJQBSA-N 0 3 314.429 2.148 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978808821 634426027 /nfs/dbraw/zinc/42/60/27/634426027.db2.gz UYWBVUCZSIFBIN-ZRSRNVLSSA-N 0 3 308.425 2.107 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)[C@@H]2C1 ZINC000978840609 634433632 /nfs/dbraw/zinc/43/36/32/634433632.db2.gz MNQVZADZQNLJAD-LJDSDSDDSA-N 0 3 322.452 2.416 20 30 DEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c(Cl)n1 ZINC000892529808 625104370 /nfs/dbraw/zinc/10/43/70/625104370.db2.gz BPTUUGMLJNSEKF-ZDUSSCGKSA-N 0 3 319.792 2.354 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001022932997 625107303 /nfs/dbraw/zinc/10/73/03/625107303.db2.gz NWYWQBBKPQOPIP-BYNSBNAKSA-N 0 3 314.857 2.427 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2ncc[nH]2)CCN1Cc1cccc(C#N)c1 ZINC000947289897 625128804 /nfs/dbraw/zinc/12/88/04/625128804.db2.gz BFSZVJXIQQCUGO-XJKSGUPXSA-N 0 3 323.400 2.064 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001023046544 625144220 /nfs/dbraw/zinc/14/42/20/625144220.db2.gz XRXMIKYQWSTJCO-PHIMTYICSA-N 0 3 304.781 2.166 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001023132557 625165105 /nfs/dbraw/zinc/16/51/05/625165105.db2.gz FHHFSZYKRWWSQB-PHIMTYICSA-N 0 3 321.764 2.136 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(F)F)n(C)n2)C[C@@H]1C ZINC000947542485 625167262 /nfs/dbraw/zinc/16/72/62/625167262.db2.gz KCRIIXBSBVZBGU-WDEREUQCSA-N 0 3 312.364 2.126 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3ccc(C)cn23)C[C@@H]1C ZINC000947543346 625172181 /nfs/dbraw/zinc/17/21/81/625172181.db2.gz SOKIRYXKDAVSEC-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCC[C@@H]2CNCc2cncn2C)C1 ZINC001025074750 625195968 /nfs/dbraw/zinc/19/59/68/625195968.db2.gz RSSVRBQUFNGBPT-OAHLLOKOSA-N 0 3 316.449 2.247 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001023365257 625239908 /nfs/dbraw/zinc/23/99/08/625239908.db2.gz ARJGRIQWPUYRPD-HNNXBMFYSA-N 0 3 316.449 2.022 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)on1 ZINC001025196300 625258328 /nfs/dbraw/zinc/25/83/28/625258328.db2.gz SKXRPGOIXXGKDJ-SJORKVTESA-N 0 3 315.417 2.465 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001025201050 625262404 /nfs/dbraw/zinc/26/24/04/625262404.db2.gz JIDKQGYMOHHVLY-ROUUACIJSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccnc(F)c1 ZINC001025207425 625264247 /nfs/dbraw/zinc/26/42/47/625264247.db2.gz HZAIVZLJHUMNLR-JKSUJKDBSA-N 0 3 315.392 2.313 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ncoc1C ZINC001025208650 625267185 /nfs/dbraw/zinc/26/71/85/625267185.db2.gz XNZFQQSTKDCAKW-HOTGVXAUSA-N 0 3 315.417 2.465 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001025212725 625269177 /nfs/dbraw/zinc/26/91/77/625269177.db2.gz YNVRTRGIGIARRA-SJORKVTESA-N 0 3 314.433 2.201 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cncc(F)c1 ZINC001025217938 625276084 /nfs/dbraw/zinc/27/60/84/625276084.db2.gz HCIXQCKOIHAVCH-IAGOWNOFSA-N 0 3 315.392 2.313 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001027700657 634456179 /nfs/dbraw/zinc/45/61/79/634456179.db2.gz ZRVHXFKRBSMHHP-FGTMMUONSA-N 0 3 314.404 2.485 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001024439938 625776874 /nfs/dbraw/zinc/77/68/74/625776874.db2.gz IBZSWDJXPBWJEP-HOTGVXAUSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001024468414 625794884 /nfs/dbraw/zinc/79/48/84/625794884.db2.gz OSDVWHCWGMVJKG-CVEARBPZSA-N 0 3 316.449 2.462 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001024472098 625801465 /nfs/dbraw/zinc/80/14/65/625801465.db2.gz OWKZRBBSRSCYOK-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(F)F)cc3F)[C@@H]2C1 ZINC000978924998 634452442 /nfs/dbraw/zinc/45/24/42/634452442.db2.gz NDXMEUKDHMGVEC-ZSOGYDGISA-N 0 3 322.330 2.304 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001024569785 625893579 /nfs/dbraw/zinc/89/35/79/625893579.db2.gz GDQLKRZUTWCWCD-BZUAXINKSA-N 0 3 316.449 2.070 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C[C@H](C)OC)cc1 ZINC001024587459 625909568 /nfs/dbraw/zinc/90/95/68/625909568.db2.gz IUJIKJQYFDGYNY-YJBOKZPZSA-N 0 3 314.429 2.287 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001024623182 625939264 /nfs/dbraw/zinc/93/92/64/625939264.db2.gz DCCHXGQCKSHWPF-MRXNPFEDSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001024649839 625952093 /nfs/dbraw/zinc/95/20/93/625952093.db2.gz YOHJBNBJEFHRIQ-OAHLLOKOSA-N 0 3 301.434 2.195 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001024672058 625959975 /nfs/dbraw/zinc/95/99/75/625959975.db2.gz QOIOPUXOZZNNJR-OAHLLOKOSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccn3cncc3c2)C1 ZINC000999059256 634468688 /nfs/dbraw/zinc/46/86/88/634468688.db2.gz VIVRTWORVZUBLZ-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCc2ccnc(Cl)c2)C1 ZINC000999129016 634483947 /nfs/dbraw/zinc/48/39/47/634483947.db2.gz OSRZSFFZHKHQBT-HNNXBMFYSA-N 0 3 317.820 2.229 20 30 DEEDHN CCCC(=O)N1CCO[C@@H]([C@@H](C)NCc2ccc(C#N)s2)C1 ZINC000979184790 634526304 /nfs/dbraw/zinc/52/63/04/634526304.db2.gz PIOYKXRTTSZABC-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN C#CCSCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000888954727 634526573 /nfs/dbraw/zinc/52/65/73/634526573.db2.gz TVBAPWIEVYXGCN-UHFFFAOYSA-N 0 3 308.422 2.082 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC000999458593 634597048 /nfs/dbraw/zinc/59/70/48/634597048.db2.gz WYUCSDVOYOGJOR-MCIGGMRASA-N 0 3 313.239 2.274 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC000999745715 634674891 /nfs/dbraw/zinc/67/48/91/634674891.db2.gz BAXINFMCMYCVTL-NFOMZHRRSA-N 0 3 319.836 2.128 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(C)noc2CC)C1 ZINC000999816507 634681111 /nfs/dbraw/zinc/68/11/11/634681111.db2.gz RURODBPZBGSXNI-UHFFFAOYSA-N 0 3 311.813 2.491 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC001000200476 634786955 /nfs/dbraw/zinc/78/69/55/634786955.db2.gz GOAMLNJMOITOSC-USXIJHARSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)Oc1cccc(C)c1 ZINC000836324187 650079482 /nfs/dbraw/zinc/07/94/82/650079482.db2.gz LCUUAERADPTBBE-INIZCTEOSA-N 0 3 317.433 2.017 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)c1ccccc1OC ZINC000836293305 650075637 /nfs/dbraw/zinc/07/56/37/650075637.db2.gz BBQCZKYHRVQRIZ-MRXNPFEDSA-N 0 3 317.433 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000836489408 650097788 /nfs/dbraw/zinc/09/77/88/650097788.db2.gz ZEMBKQRPOKGJQT-IBGZPJMESA-N 0 3 313.445 2.315 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000177564210 632938398 /nfs/dbraw/zinc/93/83/98/632938398.db2.gz QZBPZKNOKIIJCZ-UKRRQHHQSA-N 0 3 315.417 2.466 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024712367 632943326 /nfs/dbraw/zinc/94/33/26/632943326.db2.gz WAZHGHBKIWYILT-OAHLLOKOSA-N 0 3 305.809 2.343 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001026861577 633223519 /nfs/dbraw/zinc/22/35/19/633223519.db2.gz PWCMAONCPUXUCO-AWEZNQCLSA-N 0 3 308.385 2.138 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C(C)(C)C1 ZINC000974750163 633286919 /nfs/dbraw/zinc/28/69/19/633286919.db2.gz IPNXOMISXMXEPY-QGZVFWFLSA-N 0 3 324.428 2.037 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)C2(C)CC2)CC1 ZINC000996617085 633314508 /nfs/dbraw/zinc/31/45/08/633314508.db2.gz RHISIIXAWLUEMM-UHFFFAOYSA-N 0 3 301.228 2.276 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cnccc3c2)C(C)(C)C1 ZINC000974819101 633315620 /nfs/dbraw/zinc/31/56/20/633315620.db2.gz KGOZFXMLVTYHEA-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000996635439 633324230 /nfs/dbraw/zinc/32/42/30/633324230.db2.gz VWRWPJIMAQKFQP-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C(F)F)n[nH]2)C(C)(C)C1 ZINC000975037257 633392771 /nfs/dbraw/zinc/39/27/71/633392771.db2.gz GORNETDJCVRJJH-LBPRGKRZSA-N 0 3 312.364 2.364 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000975040198 633394541 /nfs/dbraw/zinc/39/45/41/633394541.db2.gz SKYQMNOGGXQDQJ-RDJZCZTQSA-N 0 3 313.445 2.199 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cccnc2C)C(C)(C)C1 ZINC000975027947 633399337 /nfs/dbraw/zinc/39/93/37/633399337.db2.gz CVWINPQQHUNPAT-MRXNPFEDSA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000975033039 633400643 /nfs/dbraw/zinc/40/06/43/633400643.db2.gz WZRIJFKQZVECST-HIFRSBDPSA-N 0 3 316.449 2.232 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(CCC)c2)C(C)(C)C1 ZINC000975120950 633427757 /nfs/dbraw/zinc/42/77/57/633427757.db2.gz ZNZXEQYHIOUQDU-HNNXBMFYSA-N 0 3 304.438 2.309 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000975112124 633428181 /nfs/dbraw/zinc/42/81/81/633428181.db2.gz QLWUHNHRGFKPFW-DLBZAZTESA-N 0 3 319.493 2.099 20 30 DEEDHN N#Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000125053046 633497593 /nfs/dbraw/zinc/49/75/93/633497593.db2.gz MUKGFOQPBUSBAC-OAHLLOKOSA-N 0 3 318.336 2.233 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000996957624 633539932 /nfs/dbraw/zinc/53/99/32/633539932.db2.gz SBMKCVKARYIJLK-SFHVURJKSA-N 0 3 318.465 2.411 20 30 DEEDHN CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000997030578 633562036 /nfs/dbraw/zinc/56/20/36/633562036.db2.gz UTGMYCSHGXFTEZ-IUODEOHRSA-N 0 3 320.412 2.465 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001009310697 633587410 /nfs/dbraw/zinc/58/74/10/633587410.db2.gz FWDZKXFWUFWSLD-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027335342 633660378 /nfs/dbraw/zinc/66/03/78/633660378.db2.gz GBRGPAIQMDNEHN-YOEHRIQHSA-N 0 3 310.401 2.141 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2conc2CC)CC1 ZINC000997294793 633698806 /nfs/dbraw/zinc/69/88/06/633698806.db2.gz ZFMMVXGSPHFSIU-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C3CC3)no2)CC1 ZINC000997331550 633701671 /nfs/dbraw/zinc/70/16/71/633701671.db2.gz BREBBHBNHYQEBE-GFCCVEGCSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2oc(C3CC3)nc2C)CC1 ZINC000997340010 633708427 /nfs/dbraw/zinc/70/84/27/633708427.db2.gz OWVOQTQXKHPRGH-GFCCVEGCSA-N 0 3 315.417 2.324 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001009613410 633748393 /nfs/dbraw/zinc/74/83/93/633748393.db2.gz VEUHAIVKERTJLJ-CQSZACIVSA-N 0 3 312.417 2.262 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(CCC)on2)CC1 ZINC000997371202 633748551 /nfs/dbraw/zinc/74/85/51/633748551.db2.gz VUNNMYRBZQCCLH-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(OC)cc2)CC1 ZINC000997401884 633754144 /nfs/dbraw/zinc/75/41/44/633754144.db2.gz JGOVTUYUPWFUSD-CQSZACIVSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC001027422456 633761881 /nfs/dbraw/zinc/76/18/81/633761881.db2.gz HWAJHTIJEZZILO-HOCLYGCPSA-N 0 3 318.392 2.149 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnn2C2CCCC2)C1 ZINC001027430148 633773460 /nfs/dbraw/zinc/77/34/60/633773460.db2.gz PAMBICZPQOEICD-INIZCTEOSA-N 0 3 314.433 2.168 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027442153 633795750 /nfs/dbraw/zinc/79/57/50/633795750.db2.gz BRQODCFYGLBELI-GJZGRUSLSA-N 0 3 313.873 2.002 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1 ZINC001027449546 633802485 /nfs/dbraw/zinc/80/24/85/633802485.db2.gz BGBYHTRNMVMQBA-AWEZNQCLSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001027462248 633829617 /nfs/dbraw/zinc/82/96/17/633829617.db2.gz CRFHSQGJWDKSMO-HRCADAONSA-N 0 3 302.443 2.408 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001027466662 633836320 /nfs/dbraw/zinc/83/63/20/633836320.db2.gz XGMFTKOMUPMANH-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)ccc2OC)C1 ZINC001027482563 633866893 /nfs/dbraw/zinc/86/68/93/633866893.db2.gz DSSDQCJMCXYJIM-HNNXBMFYSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2cccc(OC)c2)C1 ZINC001027489268 633878607 /nfs/dbraw/zinc/87/86/07/633878607.db2.gz RBXLLNHEGXDYFA-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C(C)(C)C1 ZINC000977248226 633888603 /nfs/dbraw/zinc/88/86/03/633888603.db2.gz FUXBOMUBSWGRRQ-YDZRNGNQSA-N 0 3 322.452 2.422 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2c(C)noc2Cl)C(C)(C)C1 ZINC000977325356 633928606 /nfs/dbraw/zinc/92/86/06/633928606.db2.gz GPSNHGKIKOUGRQ-CYBMUJFWSA-N 0 3 323.824 2.029 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC001027512870 633947982 /nfs/dbraw/zinc/94/79/82/633947982.db2.gz YZCPHCOKXAQEBF-CYBMUJFWSA-N 0 3 313.357 2.104 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC(C)C)cn2)[C@@H](C)C1 ZINC000946309606 633955346 /nfs/dbraw/zinc/95/53/46/633955346.db2.gz CAWWWJGVIUYGMD-GOEBONIOSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001027518728 633978113 /nfs/dbraw/zinc/97/81/13/633978113.db2.gz ZMAASRXYVHRHPN-INIZCTEOSA-N 0 3 324.428 2.051 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001027539822 634041652 /nfs/dbraw/zinc/04/16/52/634041652.db2.gz QEFHKMIMMUFTJG-HOCLYGCPSA-N 0 3 312.413 2.352 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ocnc2C)CC1 ZINC000997959004 634076568 /nfs/dbraw/zinc/07/65/68/634076568.db2.gz CWIRQRCYNNIKKU-OAHLLOKOSA-N 0 3 303.406 2.323 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2n[nH]cc2C)CC1 ZINC000998001947 634104507 /nfs/dbraw/zinc/10/45/07/634104507.db2.gz XJWUJEIOICHPHB-OAHLLOKOSA-N 0 3 302.422 2.058 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1 ZINC001027553105 634106359 /nfs/dbraw/zinc/10/63/59/634106359.db2.gz OVFGZUQSTOVRDK-GFCCVEGCSA-N 0 3 310.319 2.274 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccn(C(F)F)n2)CC1 ZINC000998022985 634114643 /nfs/dbraw/zinc/11/46/43/634114643.db2.gz MVOZEANHKAADHF-CYBMUJFWSA-N 0 3 324.375 2.228 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2coc(OC)n2)CC1 ZINC000998069943 634132077 /nfs/dbraw/zinc/13/20/77/634132077.db2.gz ABBFXYRAJONJRE-AWEZNQCLSA-N 0 3 319.405 2.023 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000998130698 634150024 /nfs/dbraw/zinc/15/00/24/634150024.db2.gz OHFCYICVTKVJIR-HNNXBMFYSA-N 0 3 316.449 2.483 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cn3ccccc3n2)CC1 ZINC000998191587 634164023 /nfs/dbraw/zinc/16/40/23/634164023.db2.gz XWOUIYIURGMAQL-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001027574141 634175825 /nfs/dbraw/zinc/17/58/25/634175825.db2.gz LVEURKBNMHDYKY-LJQANCHMSA-N 0 3 323.440 2.232 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1C(F)(F)F ZINC000998259837 634192337 /nfs/dbraw/zinc/19/23/37/634192337.db2.gz LCEATXOHYCOBDD-VXGBXAGGSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(CF)CC2)CC[C@H]1C(F)(F)F ZINC000998294055 634202388 /nfs/dbraw/zinc/20/23/88/634202388.db2.gz HIHXCKYINVFBHF-GHMZBOCLSA-N 0 3 308.319 2.291 20 30 DEEDHN CCC(=O)N1CCC[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC000998312879 634208432 /nfs/dbraw/zinc/20/84/32/634208432.db2.gz LZUMYEIYDWXCIR-OAHLLOKOSA-N 0 3 301.390 2.057 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4c3CCCC4)[C@@H]2C1 ZINC000978183144 634232923 /nfs/dbraw/zinc/23/29/23/634232923.db2.gz BKEXDLMOPWELHV-OWZKRDHZSA-N 0 3 322.452 2.496 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001027596232 634246085 /nfs/dbraw/zinc/24/60/85/634246085.db2.gz QCCMIKBPFCFIKP-IBGZPJMESA-N 0 3 323.440 2.232 20 30 DEEDHN C=CCn1cccc1C(=O)NCC1[C@H]2CN(C/C=C/Cl)C[C@@H]12 ZINC000978270224 634264520 /nfs/dbraw/zinc/26/45/20/634264520.db2.gz LYRLJOISEGMTQH-RAURJKPPSA-N 0 3 319.836 2.334 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4c(C)c(C)[nH]c43)[C@@H]2C1 ZINC000978367537 634291858 /nfs/dbraw/zinc/29/18/58/634291858.db2.gz LYBWQXFZGJHVQF-NNZMDNLPSA-N 0 3 321.424 2.326 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3c2ccn3C)C1 ZINC001027618825 634300090 /nfs/dbraw/zinc/30/00/90/634300090.db2.gz RFUSSOBTRDEJIU-HNNXBMFYSA-N 0 3 309.413 2.348 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(CC)s3)[C@@H]2C1 ZINC000978471049 634323532 /nfs/dbraw/zinc/32/35/32/634323532.db2.gz SYWIRSDIWUKIIG-QKDCVEJESA-N 0 3 302.443 2.241 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3cnccc3c2)C1 ZINC001027639728 634364225 /nfs/dbraw/zinc/36/42/25/634364225.db2.gz FFLATIHOOUXNKV-SFHVURJKSA-N 0 3 307.397 2.404 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC000980287034 634931278 /nfs/dbraw/zinc/93/12/78/634931278.db2.gz UKZXAWTWKKLAJZ-WBVHZDCISA-N 0 3 300.402 2.367 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001027913456 634948069 /nfs/dbraw/zinc/94/80/69/634948069.db2.gz KRLUXKBEKQGCFK-CABCVRRESA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cncn1-c1ccccc1 ZINC001027932530 635000740 /nfs/dbraw/zinc/00/07/40/635000740.db2.gz FFGSYNIADGKQPD-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCCCCC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000837134822 650167627 /nfs/dbraw/zinc/16/76/27/650167627.db2.gz LTHCMNPCKTYVNS-UHFFFAOYSA-N 0 3 307.482 2.102 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC000980574622 635049168 /nfs/dbraw/zinc/04/91/68/635049168.db2.gz VYORTJJGRDUZAT-HOTGVXAUSA-N 0 3 300.402 2.017 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001027997773 635199616 /nfs/dbraw/zinc/19/96/16/635199616.db2.gz RCJRJTPYESAVHS-OAHLLOKOSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001028005866 635224528 /nfs/dbraw/zinc/22/45/28/635224528.db2.gz CTVQPLAWBCIPIS-ZDUSSCGKSA-N 0 3 304.365 2.052 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001028015510 635252574 /nfs/dbraw/zinc/25/25/74/635252574.db2.gz FRYKBLHSJKSLEJ-HNNXBMFYSA-N 0 3 302.422 2.172 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000947726021 635280212 /nfs/dbraw/zinc/28/02/12/635280212.db2.gz HMEZJTHBLTUMRX-HOCLYGCPSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2n[nH]c(C3CC3)c2Cl)CC1 ZINC001000900900 635334832 /nfs/dbraw/zinc/33/48/32/635334832.db2.gz BEJLHKAJZICHIZ-UHFFFAOYSA-N 0 3 320.824 2.488 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccc3cccnc3n2)CC1 ZINC000981211433 635372479 /nfs/dbraw/zinc/37/24/79/635372479.db2.gz TXWXJXBJDSWVSK-UHFFFAOYSA-N 0 3 310.401 2.354 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC001001246479 635439712 /nfs/dbraw/zinc/43/97/12/635439712.db2.gz WXDXWLYWXMAKPP-IRXDYDNUSA-N 0 3 304.434 2.292 20 30 DEEDHN CC[C@H](F)CN1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001001285241 635449917 /nfs/dbraw/zinc/44/99/17/635449917.db2.gz CPRBMNHCSJZLRS-AWEZNQCLSA-N 0 3 306.385 2.076 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn(C(C)C)nc2C)CC1 ZINC001001366736 635478782 /nfs/dbraw/zinc/47/87/82/635478782.db2.gz ADARZWOPAXHRKL-UHFFFAOYSA-N 0 3 302.422 2.320 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001001766474 635550724 /nfs/dbraw/zinc/55/07/24/635550724.db2.gz GNEKDROSMAAKSR-ZIAGYGMSSA-N 0 3 316.367 2.426 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC000981628349 635564869 /nfs/dbraw/zinc/56/48/69/635564869.db2.gz HZQNCFHFMLKSGW-UHFFFAOYSA-N 0 3 303.406 2.074 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001001940859 635584483 /nfs/dbraw/zinc/58/44/83/635584483.db2.gz LOOZZMKZUGEFQC-CQSZACIVSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2coc(C3CCCC3)n2)CC1 ZINC001001982830 635592408 /nfs/dbraw/zinc/59/24/08/635592408.db2.gz MISCLHUKQGDFQT-UHFFFAOYSA-N 0 3 315.417 2.407 20 30 DEEDHN CN(C)C[C@@H]1CN(C(=O)C#CC(C)(C)C)c2ccccc2O1 ZINC000837469813 650202400 /nfs/dbraw/zinc/20/24/00/650202400.db2.gz CRYZSBNMPIRMOH-CQSZACIVSA-N 0 3 300.402 2.392 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(OCC)cc2)CC1 ZINC001002095146 635618679 /nfs/dbraw/zinc/61/86/79/635618679.db2.gz CHNAWEDIFYXDPQ-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(COC)cc2)CC1 ZINC001002115735 635622835 /nfs/dbraw/zinc/62/28/35/635622835.db2.gz YEHKHNWWZYTXQU-UHFFFAOYSA-N 0 3 314.429 2.298 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC001002171243 635633438 /nfs/dbraw/zinc/63/34/38/635633438.db2.gz LLDPRLNUZFHSFP-KSSFIOAISA-N 0 3 312.413 2.013 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C4CC4)n(C)n3)C2)C1 ZINC000981803224 635657127 /nfs/dbraw/zinc/65/71/27/635657127.db2.gz WMKIUHICCNQAEZ-UHFFFAOYSA-N 0 3 314.433 2.022 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000981803998 635658073 /nfs/dbraw/zinc/65/80/73/635658073.db2.gz JPJKMKCKVGAFIU-KRWDZBQOSA-N 0 3 311.429 2.059 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C4CC4)nn3C)C2)C1 ZINC000981798593 635659483 /nfs/dbraw/zinc/65/94/83/635659483.db2.gz YXODPOSSBWJQLQ-UHFFFAOYSA-N 0 3 314.433 2.022 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc(C4CC4)o3)C2)C1 ZINC000981815832 635668137 /nfs/dbraw/zinc/66/81/37/635668137.db2.gz CTDGCLALVYDVOC-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4cc[nH]c4n3)C2)C1 ZINC000981824207 635671773 /nfs/dbraw/zinc/67/17/73/635671773.db2.gz PJYDFYMXFYQQOU-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1 ZINC000981895185 635717527 /nfs/dbraw/zinc/71/75/27/635717527.db2.gz SMDXCLQMKQPJQT-UHFFFAOYSA-N 0 3 315.417 2.074 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001028154243 635734401 /nfs/dbraw/zinc/73/44/01/635734401.db2.gz GNDQEAMYNPTJPE-CYBMUJFWSA-N 0 3 306.356 2.491 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001028172561 635768473 /nfs/dbraw/zinc/76/84/73/635768473.db2.gz ZGZMLVXWNBSJTF-OAHLLOKOSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(Cl)CN1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002792430 635799495 /nfs/dbraw/zinc/79/94/95/635799495.db2.gz NGUKLLFYDWBHCM-HNNXBMFYSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3=CCOCC3)CC[C@@H]2C1 ZINC000946565284 635810199 /nfs/dbraw/zinc/81/01/99/635810199.db2.gz HNUORMHSEPMHFX-IYBDPMFKSA-N 0 3 324.852 2.256 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3noc4c3CCCC4)C2)C1 ZINC000982033897 635831747 /nfs/dbraw/zinc/83/17/47/635831747.db2.gz LZVDFRRMHBQBSJ-UHFFFAOYSA-N 0 3 315.417 2.277 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccnc(C4CC4)n3)C2)C1 ZINC000982046133 635844273 /nfs/dbraw/zinc/84/42/73/635844273.db2.gz FPFGSXJMNNPLRX-UHFFFAOYSA-N 0 3 312.417 2.078 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H](C)Cc2c(C)noc2C)CC1 ZINC000982112395 635874215 /nfs/dbraw/zinc/87/42/15/635874215.db2.gz RFQYMXOTCAOQCA-CQSZACIVSA-N 0 3 317.433 2.028 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cncnc3C3CC3)C2)C1 ZINC000982135690 635888516 /nfs/dbraw/zinc/88/85/16/635888516.db2.gz PCZDFHNGJLRCMB-UHFFFAOYSA-N 0 3 312.417 2.078 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001028220499 635890514 /nfs/dbraw/zinc/89/05/14/635890514.db2.gz VTTAGDNBPBCVQS-ZDUSSCGKSA-N 0 3 304.365 2.052 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cncnc3C(C)C)C2)C1 ZINC000982153820 635891100 /nfs/dbraw/zinc/89/11/00/635891100.db2.gz ISXKKMQEYMKURJ-UHFFFAOYSA-N 0 3 314.433 2.324 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)/C=C\c3ccco3)C[C@]2(C)C1 ZINC000982193486 635899973 /nfs/dbraw/zinc/89/99/73/635899973.db2.gz MJIKFOJXHRKNQN-HCRJECLASA-N 0 3 312.413 2.487 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ncoc3CC)C[C@]2(C)C1 ZINC000982242807 635916313 /nfs/dbraw/zinc/91/63/13/635916313.db2.gz WYRHDYGIXMVDKD-HDICACEKSA-N 0 3 315.417 2.044 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2nsnc21 ZINC001028235721 635936133 /nfs/dbraw/zinc/93/61/33/635936133.db2.gz COZSCFNFDGLJRF-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN Cn1cnc(CCNCc2cc(C#N)ccc2Br)c1 ZINC000922179904 635969768 /nfs/dbraw/zinc/96/97/68/635969768.db2.gz NZEMGGOEEOZYKL-UHFFFAOYSA-N 0 3 319.206 2.387 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001028273589 635996958 /nfs/dbraw/zinc/99/69/58/635996958.db2.gz QEQFSIRXNKSGCR-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C#CCCN1CCC(NC(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001003756670 636049072 /nfs/dbraw/zinc/04/90/72/636049072.db2.gz IFDHXPURRDFSHC-CYBMUJFWSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001028293957 636112485 /nfs/dbraw/zinc/11/24/85/636112485.db2.gz SBTQFCWTZZGSGL-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001028307773 636123197 /nfs/dbraw/zinc/12/31/97/636123197.db2.gz OTSWGDAVUCLGDH-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001028340759 636139730 /nfs/dbraw/zinc/13/97/30/636139730.db2.gz WZURKLNHQQQTHG-KRWDZBQOSA-N 0 3 315.417 2.050 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001028345493 636141702 /nfs/dbraw/zinc/14/17/02/636141702.db2.gz IGMSMMGWMKGUTH-GFCCVEGCSA-N 0 3 309.435 2.060 20 30 DEEDHN Cn1cccc1C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001028415924 636183877 /nfs/dbraw/zinc/18/38/77/636183877.db2.gz PCCQRBKLYARUPM-KRWDZBQOSA-N 0 3 322.412 2.149 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028463889 636224170 /nfs/dbraw/zinc/22/41/70/636224170.db2.gz HXBNLNJZZRWUDF-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ocnc3CC)C[C@]2(C)C1 ZINC000982535132 636244178 /nfs/dbraw/zinc/24/41/78/636244178.db2.gz POMGIDXKQPPQGD-HDICACEKSA-N 0 3 315.417 2.044 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)ncc2Cl)C[C@H]1C ZINC000947779421 636259351 /nfs/dbraw/zinc/25/93/51/636259351.db2.gz PFKZQTFEFMCCRQ-PWSUYJOCSA-N 0 3 308.813 2.207 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCSC2(CCC2)C1 ZINC000922629449 636286980 /nfs/dbraw/zinc/28/69/80/636286980.db2.gz KSXNAWVBUXNOFL-AWEZNQCLSA-N 0 3 309.479 2.059 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001028542389 636331154 /nfs/dbraw/zinc/33/11/54/636331154.db2.gz PACPTDQLUHUOOH-OAHLLOKOSA-N 0 3 314.433 2.073 20 30 DEEDHN C=C(Cl)CN1CCCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000982682720 636366300 /nfs/dbraw/zinc/36/63/00/636366300.db2.gz KIKIPFNACDZWBN-UHFFFAOYSA-N 0 3 313.873 2.005 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000947956490 636388087 /nfs/dbraw/zinc/38/80/87/636388087.db2.gz CHKRSDVCBPLSKM-HOCLYGCPSA-N 0 3 302.393 2.279 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)Cc3ccc(F)cc3)C[C@]2(C)C1 ZINC000982772430 636392149 /nfs/dbraw/zinc/39/21/49/636392149.db2.gz KFYQZXWBYTWQFV-KDURUIRLSA-N 0 3 314.404 2.172 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@]2(C)C1 ZINC000982842362 636508754 /nfs/dbraw/zinc/50/87/54/636508754.db2.gz BIQSDGNYQANJPZ-KOESWTIHSA-N 0 3 312.457 2.082 20 30 DEEDHN C#CCN1C(=O)C[C@@H](N2C[C@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000840741016 636756451 /nfs/dbraw/zinc/75/64/51/636756451.db2.gz DFNOMWLYWMZBPA-IAGOWNOFSA-N 0 3 322.408 2.017 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001005555404 636773245 /nfs/dbraw/zinc/77/32/45/636773245.db2.gz UJHIPDMGJUMQNL-UHFFFAOYSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ncoc2-c2cccs2)C1 ZINC001028874151 636805012 /nfs/dbraw/zinc/80/50/12/636805012.db2.gz UMFTYNSZCZCDML-LBPRGKRZSA-N 0 3 315.398 2.088 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2nc(C)n3ccccc23)CC1 ZINC001005712499 636826987 /nfs/dbraw/zinc/82/69/87/636826987.db2.gz KVUMDXBUHVPKGQ-UHFFFAOYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccnc3ccncc32)CC1 ZINC001005779490 636836733 /nfs/dbraw/zinc/83/67/33/636836733.db2.gz CSMPDFNCJISHTL-UHFFFAOYSA-N 0 3 310.401 2.352 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(F)ccc(OC)c2F)C1 ZINC001028938361 636874587 /nfs/dbraw/zinc/87/45/87/636874587.db2.gz OBKPWFGZQRJNCW-LBPRGKRZSA-N 0 3 322.355 2.048 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccsc2C(F)(F)F)C1 ZINC001028951555 636887701 /nfs/dbraw/zinc/88/77/01/636887701.db2.gz FDRZDUFYKGIUIX-SNVBAGLBSA-N 0 3 316.348 2.452 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2coc3ccc(F)cc23)C1 ZINC001028953838 636890680 /nfs/dbraw/zinc/89/06/80/636890680.db2.gz NSTPHJMIZKWRRK-GFCCVEGCSA-N 0 3 300.333 2.257 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC001028969808 636909420 /nfs/dbraw/zinc/90/94/20/636909420.db2.gz IGCLEVIGRGNAKB-ZDUSSCGKSA-N 0 3 302.443 2.312 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C#N)CCc1ccccc1 ZINC000923268968 637068782 /nfs/dbraw/zinc/06/87/82/637068782.db2.gz IGTRDZMXQWNASP-OKZBNKHCSA-N 0 3 311.429 2.454 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000894498429 637070771 /nfs/dbraw/zinc/07/07/71/637070771.db2.gz IFRXYPNGKSBHJR-RCCFBDPRSA-N 0 3 324.428 2.424 20 30 DEEDHN COC(=O)[C@@H]1[C@H](CN[C@H]2CCc3cc(C#N)ccc32)C1(F)F ZINC000894589385 637113912 /nfs/dbraw/zinc/11/39/12/637113912.db2.gz QEWMHEDFSKANFT-IHRRRGAJSA-N 0 3 306.312 2.189 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccc3cnccc3n2)CC1 ZINC001006055404 637131756 /nfs/dbraw/zinc/13/17/56/637131756.db2.gz XTXATWOAXJYTKG-UHFFFAOYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cn2ccnc2C(C)C)CC1 ZINC001006073941 637158620 /nfs/dbraw/zinc/15/86/20/637158620.db2.gz WFFXSANUPILLHH-UHFFFAOYSA-N 0 3 304.438 2.115 20 30 DEEDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(C#N)c(Cl)c2)C1(F)F ZINC000894679482 637158813 /nfs/dbraw/zinc/15/88/13/637158813.db2.gz QALPZDYIOALNBW-ZYHUDNBSSA-N 0 3 314.719 2.356 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc3c(cn2)OCCC3)C[C@H]1C ZINC000947981497 637261216 /nfs/dbraw/zinc/26/12/16/637261216.db2.gz WWXHTVUVLLAKGZ-UKRRQHHQSA-N 0 3 315.417 2.175 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)C[C@@H]1C ZINC000947981498 637261485 /nfs/dbraw/zinc/26/14/85/637261485.db2.gz WWXHTVUVLLAKGZ-ZFWWWQNUSA-N 0 3 315.417 2.175 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncccc2OC)CC1 ZINC001006327006 637350647 /nfs/dbraw/zinc/35/06/47/637350647.db2.gz GTIXEQSAFJMPLY-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2scnc2COC)C[C@@H]1C ZINC000947795387 637411966 /nfs/dbraw/zinc/41/19/66/637411966.db2.gz BXONAJNCZQKCER-RYUDHWBXSA-N 0 3 309.435 2.058 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cccc(Cl)c2C1 ZINC000838622675 637613855 /nfs/dbraw/zinc/61/38/55/637613855.db2.gz XJZSXDHRVIWCMB-UHFFFAOYSA-N 0 3 319.836 2.363 20 30 DEEDHN C#Cc1ccc(CNC(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000838641834 637618402 /nfs/dbraw/zinc/61/84/02/637618402.db2.gz CIQFZQRZECWLBR-UHFFFAOYSA-N 0 3 301.434 2.397 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCCc2cnn(C)n2)c([O-])c1 ZINC000840708013 650351158 /nfs/dbraw/zinc/35/11/58/650351158.db2.gz ZKZXCDREVYTOQG-LDADJPATSA-N 0 3 315.421 2.419 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)C[C@H]1C ZINC000947802032 637623069 /nfs/dbraw/zinc/62/30/69/637623069.db2.gz SLIYLANBAHNKGZ-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895162611 637697571 /nfs/dbraw/zinc/69/75/71/637697571.db2.gz MWIUFQQGSOUTDE-UPTPFMHGSA-N 0 3 313.401 2.360 20 30 DEEDHN C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCCN([O-])C1=O ZINC000895166494 637711319 /nfs/dbraw/zinc/71/13/19/637711319.db2.gz RGTLDVISUCGQHO-MRXNPFEDSA-N 0 3 319.449 2.114 20 30 DEEDHN C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCCN([O-])C1=O ZINC000895166494 637711322 /nfs/dbraw/zinc/71/13/22/637711322.db2.gz RGTLDVISUCGQHO-MRXNPFEDSA-N 0 3 319.449 2.114 20 30 DEEDHN Cc1nsc(NC(=O)N2CCCN(C(C)C)CC2)c1C#N ZINC000839098008 637778747 /nfs/dbraw/zinc/77/87/47/637778747.db2.gz HFCHUKBLLRGEMW-UHFFFAOYSA-N 0 3 307.423 2.271 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCOC2)cc1 ZINC000740535976 637867479 /nfs/dbraw/zinc/86/74/79/637867479.db2.gz QFHNPFZZSYQNTI-UKRRQHHQSA-N 0 3 300.358 2.323 20 30 DEEDHN Cc1nc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)ccc1C#N ZINC000839417114 637872630 /nfs/dbraw/zinc/87/26/30/637872630.db2.gz PINQDTYFNPRRQY-MRXNPFEDSA-N 0 3 304.369 2.413 20 30 DEEDHN N#Cc1ccc(CNCCN2C[C@@H]3CCCCN3C2=O)cc1F ZINC000895346407 637952107 /nfs/dbraw/zinc/95/21/07/637952107.db2.gz RZRRGOZYCXGDDF-HNNXBMFYSA-N 0 3 316.380 2.077 20 30 DEEDHN C#CCC1(O)CCN(Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000895669579 638142586 /nfs/dbraw/zinc/14/25/86/638142586.db2.gz FWRVQHUOKNZDQW-UHFFFAOYSA-N 0 3 309.413 2.437 20 30 DEEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)o1 ZINC000744023973 638185194 /nfs/dbraw/zinc/18/51/94/638185194.db2.gz NNPOHYWMDKHSAW-KGLIPLIRSA-N 0 3 320.389 2.332 20 30 DEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCCN2CCSC[C@H]12 ZINC000896432141 638512430 /nfs/dbraw/zinc/51/24/30/638512430.db2.gz MMWDSVDJZSCRFV-HZPDHXFCSA-N 0 3 305.422 2.367 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001029480853 638600244 /nfs/dbraw/zinc/60/02/44/638600244.db2.gz NKHDNHOEAWDTSQ-RBZJEDDUSA-N 0 3 310.413 2.001 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)O[C@@H](C)C#N)cc2)CC1 ZINC000749286519 638632375 /nfs/dbraw/zinc/63/23/75/638632375.db2.gz QQBCEQWZDPPHTG-AWEZNQCLSA-N 0 3 301.390 2.286 20 30 DEEDHN C=CCCCN(CC)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000896748952 638663317 /nfs/dbraw/zinc/66/33/17/638663317.db2.gz MMISXTYCZCLRKB-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C[C@H](CCC#N)CN1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000896749651 638664947 /nfs/dbraw/zinc/66/49/47/638664947.db2.gz VCOFURXMRSDXOX-CYBMUJFWSA-N 0 3 313.405 2.330 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)Cc2ccco2)C1 ZINC000984944893 638761066 /nfs/dbraw/zinc/76/10/66/638761066.db2.gz TUQADHDWTRNOKM-CZIWCDLHSA-N 0 3 323.396 2.378 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001029506546 639009062 /nfs/dbraw/zinc/00/90/62/639009062.db2.gz SHABIMVLCBMBDT-HDICACEKSA-N 0 3 324.424 2.397 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029508521 639011423 /nfs/dbraw/zinc/01/14/23/639011423.db2.gz HLJJLUNLWVOWOU-YVSFHVDLSA-N 0 3 324.440 2.393 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2[nH]c3ccccc3c2C#N)CN1C1CC1 ZINC000896899451 639040043 /nfs/dbraw/zinc/04/00/43/639040043.db2.gz SBESKKZHGGWKLR-NWDGAFQWSA-N 0 3 308.385 2.395 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C#N)[nH]2)n1 ZINC000752488276 639189752 /nfs/dbraw/zinc/18/97/52/639189752.db2.gz SMHAULSSPPAYBK-VIFPVBQESA-N 0 3 314.326 2.010 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C#N)[nH]2)n1 ZINC000752488274 639189854 /nfs/dbraw/zinc/18/98/54/639189854.db2.gz SMHAULSSPPAYBK-SECBINFHSA-N 0 3 314.326 2.010 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CC(F)(F)C2)c1 ZINC000753803562 639343600 /nfs/dbraw/zinc/34/36/00/639343600.db2.gz VDBYJQLKDBBADZ-LBPRGKRZSA-N 0 3 308.284 2.388 20 30 DEEDHN c1ccc2c(c1)CSCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753938544 639363325 /nfs/dbraw/zinc/36/33/25/639363325.db2.gz JRORBVNCKNXJCI-OKILXGFUSA-N 0 3 300.431 2.498 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)nn(CC)c2C)C[C@@H]1C ZINC000947813919 639400095 /nfs/dbraw/zinc/40/00/95/639400095.db2.gz FLGNKKAUFMFZRO-SWLSCSKDSA-N 0 3 304.438 2.289 20 30 DEEDHN C#CCC1(NCc2cn(C)nc2C(=O)OCC)CCCCC1 ZINC000897336483 639502877 /nfs/dbraw/zinc/50/28/77/639502877.db2.gz HHHFERRLWYOLDP-UHFFFAOYSA-N 0 3 303.406 2.413 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001029825598 639521328 /nfs/dbraw/zinc/52/13/28/639521328.db2.gz GHZLZDUWFSLLJD-MAUKXSAKSA-N 0 3 318.465 2.303 20 30 DEEDHN C#CCNC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000755982477 639611011 /nfs/dbraw/zinc/61/10/11/639611011.db2.gz HPXRCSHAKVKKED-MSOLQXFVSA-N 0 3 314.429 2.104 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H](CC(C)C)C(=O)NC)cc1 ZINC000756040981 639618298 /nfs/dbraw/zinc/61/82/98/639618298.db2.gz DWXWFNSCGGUVTE-KRWDZBQOSA-N 0 3 302.418 2.339 20 30 DEEDHN C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)CC1CC1 ZINC000985859944 639667396 /nfs/dbraw/zinc/66/73/96/639667396.db2.gz ZRLAAKQGMPFBLV-IAQYHMDHSA-N 0 3 303.431 2.499 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)C#N)cc2)CC1 ZINC000757191623 639750475 /nfs/dbraw/zinc/75/04/75/639750475.db2.gz VBMWEUDRSWUZIJ-AWEZNQCLSA-N 0 3 315.421 2.110 20 30 DEEDHN C#C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCCO1 ZINC000839563067 639764323 /nfs/dbraw/zinc/76/43/23/639764323.db2.gz FZWWCIIXCNWYGN-CVEARBPZSA-N 0 3 320.820 2.117 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@H](NCCF)[C@@H]2C)cc1 ZINC000986442217 639901014 /nfs/dbraw/zinc/90/10/14/639901014.db2.gz VEDNPSWUUOUWIN-BBRMVZONSA-N 0 3 306.381 2.414 20 30 DEEDHN CCCCCCC[C@H](C)CNC(=O)N1CCOC2(CNC2)C1 ZINC000841722614 650551836 /nfs/dbraw/zinc/55/18/36/650551836.db2.gz FOWDCSWDZADCOM-HNNXBMFYSA-N 0 3 311.470 2.367 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)[C@H]3C[C@@H](C)CCN3C2=O)CC1 ZINC000761251738 640289731 /nfs/dbraw/zinc/28/97/31/640289731.db2.gz HVORMEJODDCKJL-DZGCQCFKSA-N 0 3 305.422 2.090 20 30 DEEDHN CCCCCCC[C@H](C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000763969453 640590635 /nfs/dbraw/zinc/59/06/35/640590635.db2.gz QAYVPPPXJROQBJ-IRXDYDNUSA-N 0 3 309.498 2.489 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc3c2cccc3OC)C1 ZINC000988850593 640678494 /nfs/dbraw/zinc/67/84/94/640678494.db2.gz DIOXBKATBVJUSY-OLZOCXBDSA-N 0 3 312.369 2.267 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2snc(Cl)c2Cl)C1 ZINC000988886314 640683412 /nfs/dbraw/zinc/68/34/12/640683412.db2.gz QSRZFIFYHXJNNJ-JGVFFNPUSA-N 0 3 318.229 2.276 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC000988917321 640688658 /nfs/dbraw/zinc/68/86/58/640688658.db2.gz QAKGCYCRLVMGGS-ZBFHGGJFSA-N 0 3 310.397 2.496 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnc(-c3ccccc3)o2)C1 ZINC000989000810 640705311 /nfs/dbraw/zinc/70/53/11/640705311.db2.gz JIYXAHZMVMUJOD-UKRRQHHQSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc(-c3ccccc3)o2)C1 ZINC000989000809 640705449 /nfs/dbraw/zinc/70/54/49/640705449.db2.gz JIYXAHZMVMUJOD-HIFRSBDPSA-N 0 3 309.369 2.167 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)nc1 ZINC000765246250 640757158 /nfs/dbraw/zinc/75/71/58/640757158.db2.gz ZQLZNMOLJUCZGC-DNVCBOLYSA-N 0 3 319.408 2.313 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC000989222668 640757830 /nfs/dbraw/zinc/75/78/30/640757830.db2.gz DYGWTOYFDNDIAC-GXTWGEPZSA-N 0 3 306.356 2.028 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2cccc(Cl)c2)C1 ZINC000989249924 640767474 /nfs/dbraw/zinc/76/74/74/640767474.db2.gz XJNSJCWMUGAIGR-BBRMVZONSA-N 0 3 304.821 2.485 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H](NCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000989394922 640838361 /nfs/dbraw/zinc/83/83/61/640838361.db2.gz AUCAGAOFRUYBAL-YOEHRIQHSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000989405631 640854980 /nfs/dbraw/zinc/85/49/80/640854980.db2.gz JMOJLWHMJWXBAC-SMDDNHRTSA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCCN1CCCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000989567191 641147729 /nfs/dbraw/zinc/14/77/29/641147729.db2.gz DJYOCRFFMIRTSU-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@H]2OCc3ccccc32)CC1 ZINC000989580381 641156311 /nfs/dbraw/zinc/15/63/11/641156311.db2.gz XXKCWNRKZWSNMF-GOSISDBHSA-N 0 3 312.413 2.206 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)c3occc32)C1 ZINC000989819173 641241264 /nfs/dbraw/zinc/24/12/64/641241264.db2.gz DAICUNPOMABAEJ-NEPJUHHUSA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000989822405 641243514 /nfs/dbraw/zinc/24/35/14/641243514.db2.gz GUFDJKUQTAAGCY-ZBFHGGJFSA-N 0 3 312.413 2.444 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2cc(F)ccc2F)C1 ZINC000989831166 641244569 /nfs/dbraw/zinc/24/45/69/641244569.db2.gz IERSVVMYZLQIMI-SWLSCSKDSA-N 0 3 306.356 2.110 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000769527851 641256617 /nfs/dbraw/zinc/25/66/17/641256617.db2.gz SNWPZTFRUOMUSH-GOSISDBHSA-N 0 3 315.413 2.469 20 30 DEEDHN C=CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1ccncc1 ZINC000769617711 641268095 /nfs/dbraw/zinc/26/80/95/641268095.db2.gz ZYWSJUXLMZTXLP-MRXNPFEDSA-N 0 3 302.422 2.436 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3nccc(C)n3)CCC[C@@H]12 ZINC000990413922 641481011 /nfs/dbraw/zinc/48/10/11/641481011.db2.gz DFLIMOIYGCLGNS-PBHICJAKSA-N 0 3 300.406 2.088 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCCC(C)(C)O1)C1CCN(C)CC1 ZINC000898635583 641733833 /nfs/dbraw/zinc/73/38/33/641733833.db2.gz CIZSHCNYGCDPCY-INIZCTEOSA-N 0 3 321.465 2.073 20 30 DEEDHN CCOc1ccc(C[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000842289923 650695858 /nfs/dbraw/zinc/69/58/58/650695858.db2.gz UAEUZIGJBVBMIZ-CZUORRHYSA-N 0 3 316.401 2.497 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@](C)(C#N)C2)cc1 ZINC000898982143 641882531 /nfs/dbraw/zinc/88/25/31/641882531.db2.gz YVRCHSYZOZJYFT-WMZOPIPTSA-N 0 3 315.417 2.496 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccnn2C)c([O-])c1 ZINC000899227966 641996680 /nfs/dbraw/zinc/99/66/80/641996680.db2.gz VVPALDVQUUMYTD-PBXDPIQXSA-N 0 3 316.405 2.124 20 30 DEEDHN C=C(C)C[C@H](CO)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000899234041 642005560 /nfs/dbraw/zinc/00/55/60/642005560.db2.gz DLSWVYNHDFDMNR-NVXWUHKLSA-N 0 3 320.433 2.178 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775573663 642061047 /nfs/dbraw/zinc/06/10/47/642061047.db2.gz IOKASFSTTVUJKZ-UHOFOFEASA-N 0 3 304.365 2.313 20 30 DEEDHN C=CCC1(O)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000899590535 642112419 /nfs/dbraw/zinc/11/24/19/642112419.db2.gz AUNZUVVLCRZXLD-UHFFFAOYSA-N 0 3 302.418 2.291 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H](F)Cc1ccccc1 ZINC000778293340 642367765 /nfs/dbraw/zinc/36/77/65/642367765.db2.gz DBRDLANHOHBPTD-HUUCEWRRSA-N 0 3 302.349 2.335 20 30 DEEDHN CN(C)Cc1ccccc1NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780883837 642684629 /nfs/dbraw/zinc/68/46/29/642684629.db2.gz WQTYPBYOCFDORD-QGZVFWFLSA-N 0 3 309.369 2.292 20 30 DEEDHN C#CCCCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782054152 642818054 /nfs/dbraw/zinc/81/80/54/642818054.db2.gz DYAMGMAVMCVIQD-MRXNPFEDSA-N 0 3 306.431 2.306 20 30 DEEDHN CC(C)(C#N)CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000782700729 642917724 /nfs/dbraw/zinc/91/77/24/642917724.db2.gz MMGLZCGJELULDN-VHSXEESVSA-N 0 3 320.311 2.317 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C4CC4)n(C)n3)CCC[C@H]12 ZINC000990973322 642967920 /nfs/dbraw/zinc/96/79/20/642967920.db2.gz MJJDZLNUWHKIGV-FUHWJXTLSA-N 0 3 314.433 2.210 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)C[C@H](OC)C3)CC1 ZINC000784225950 643109779 /nfs/dbraw/zinc/10/97/79/643109779.db2.gz MTHCAJXAVPPJGR-GOSISDBHSA-N 0 3 312.413 2.084 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN1C ZINC000902929709 643195586 /nfs/dbraw/zinc/19/55/86/643195586.db2.gz WYBOIICXKQTHHQ-AAEUAGOBSA-N 0 3 303.410 2.329 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)c1 ZINC000786552073 643384365 /nfs/dbraw/zinc/38/43/65/643384365.db2.gz JRZRLBOKLJUPMH-JKSUJKDBSA-N 0 3 314.385 2.279 20 30 DEEDHN C#CCCOc1ccc(CN(CCOC)[C@H]2CCOC2)cc1 ZINC000787335913 643483409 /nfs/dbraw/zinc/48/34/09/643483409.db2.gz VDXXYSRUDXBCLM-KRWDZBQOSA-N 0 3 303.402 2.326 20 30 DEEDHN O=C(C1C[NH+](C2CCOCC2)C1)N([O-])Cc1ccccc1Cl ZINC000904192463 643600487 /nfs/dbraw/zinc/60/04/87/643600487.db2.gz MQCSXYPUIDDGIL-UHFFFAOYSA-N 0 3 324.808 2.169 20 30 DEEDHN COc1ccc(CNC[C@@H](O)CC2(O)CCCCC2)cc1C#N ZINC000905182686 643815643 /nfs/dbraw/zinc/81/56/43/643815643.db2.gz QZOQJHTUTFWHHJ-INIZCTEOSA-N 0 3 318.417 2.103 20 30 DEEDHN C#CCCCS(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000791418112 643976179 /nfs/dbraw/zinc/97/61/79/643976179.db2.gz XJLLNURBAVZGDT-UHFFFAOYSA-N 0 3 320.458 2.115 20 30 DEEDHN CC(C)N1CCN(CCCOC(=O)c2sccc2C#N)CC1 ZINC000791796569 644031451 /nfs/dbraw/zinc/03/14/51/644031451.db2.gz WHJYNXONYPHDCI-UHFFFAOYSA-N 0 3 321.446 2.193 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(F)(F)CC2)CC1 ZINC000792917065 644168200 /nfs/dbraw/zinc/16/82/00/644168200.db2.gz DIZRMDZMVZNENJ-UHFFFAOYSA-N 0 3 301.381 2.468 20 30 DEEDHN N#CC1(C(=O)N2CCNC3(CCCCC3)C2)CCSCC1 ZINC000906635256 644303022 /nfs/dbraw/zinc/30/30/22/644303022.db2.gz WNGHCZVALYBNNF-UHFFFAOYSA-N 0 3 307.463 2.158 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)[C@@]2(C#N)CC3CCC2CC3)CN1C1CC1 ZINC000906941269 644393281 /nfs/dbraw/zinc/39/32/81/644393281.db2.gz NDEHUKLPPACXEZ-XKKOKPIVSA-N 0 3 301.434 2.448 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906971052 644403729 /nfs/dbraw/zinc/40/37/29/644403729.db2.gz HTWZPWXMLCYWMC-WFTQNCBUSA-N 0 3 301.434 2.305 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cc(C)c(C#N)c(C)c2)C[C@H]1N(C)C ZINC000907145738 644461095 /nfs/dbraw/zinc/46/10/95/644461095.db2.gz HDVSDKQDRJSBMO-CVEARBPZSA-N 0 3 317.458 2.293 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCCc2ncn(C)n2)c([O-])c1 ZINC000843266929 650939413 /nfs/dbraw/zinc/93/94/13/650939413.db2.gz QLHXPUVPSPUIEQ-LDADJPATSA-N 0 3 315.421 2.419 20 30 DEEDHN C[C@H](C#N)OCCN(C)CCc1nc(-c2ccccc2)no1 ZINC000796397784 644731617 /nfs/dbraw/zinc/73/16/17/644731617.db2.gz XEMODSWMRIOTBK-CYBMUJFWSA-N 0 3 300.362 2.140 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cncc(COC)c3)CCC[C@@H]12 ZINC000991101068 644767966 /nfs/dbraw/zinc/76/79/66/644767966.db2.gz RZTZMBAGZMDWFM-SJLPKXTDSA-N 0 3 315.417 2.141 20 30 DEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000796646556 644771267 /nfs/dbraw/zinc/77/12/67/644771267.db2.gz JBFPDTKXKSJKCU-SLEUVZQESA-N 0 3 304.394 2.242 20 30 DEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000796646557 644771384 /nfs/dbraw/zinc/77/13/84/644771384.db2.gz JBFPDTKXKSJKCU-YWPYICTPSA-N 0 3 304.394 2.242 20 30 DEEDHN C#CCCCc1nnc(N2CCN(C3CCCC3)CC2)n1CC ZINC000908870119 645013935 /nfs/dbraw/zinc/01/39/35/645013935.db2.gz SMTWHNHQPSBCTO-UHFFFAOYSA-N 0 3 315.465 2.319 20 30 DEEDHN CON=Cc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000843477779 650982304 /nfs/dbraw/zinc/98/23/04/650982304.db2.gz SFBAKWVFNGDKRK-SFHVURJKSA-N 0 3 323.396 2.284 20 30 DEEDHN CCN1CCCN(C(=O)c2cc(C#N)cc(N(C)C)c2)[C@H](C)C1 ZINC000910269400 645378725 /nfs/dbraw/zinc/37/87/25/645378725.db2.gz FYLXCYCDCLOVGX-CQSZACIVSA-N 0 3 314.433 2.181 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000801938220 645465189 /nfs/dbraw/zinc/46/51/89/645465189.db2.gz DSHMXWJKTVYAFD-RYUDHWBXSA-N 0 3 316.327 2.467 20 30 DEEDHN C[C@@H](C#N)OCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000801954634 645469106 /nfs/dbraw/zinc/46/91/06/645469106.db2.gz KPHPQZHWDLMYFX-DOTOQJQBSA-N 0 3 311.385 2.108 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1ccc2c(c1)OCO2 ZINC000912083871 645930577 /nfs/dbraw/zinc/93/05/77/645930577.db2.gz REHCKKFORMARAK-CQSZACIVSA-N 0 3 304.390 2.447 20 30 DEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000840090173 645940463 /nfs/dbraw/zinc/94/04/63/645940463.db2.gz MWMCZPBFTWSABC-OKILXGFUSA-N 0 3 324.432 2.107 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001030028142 646223703 /nfs/dbraw/zinc/22/37/03/646223703.db2.gz AXLPLGQXIZBWHE-OQIJWPOYSA-N 0 3 308.425 2.176 20 30 DEEDHN C#CC[C@@H](CCOC)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913348565 646328868 /nfs/dbraw/zinc/32/88/68/646328868.db2.gz RCOKOGHSTSJEOQ-HNNXBMFYSA-N 0 3 313.401 2.449 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)c1 ZINC000810529692 646372190 /nfs/dbraw/zinc/37/21/90/646372190.db2.gz MAXXBTVIYMBXHD-BXUZGUMPSA-N 0 3 318.398 2.486 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3n[nH]c4c3CCCC4)CCC[C@H]12 ZINC000991561773 646498827 /nfs/dbraw/zinc/49/88/27/646498827.db2.gz APMKMLOKAVQHPH-MAUKXSAKSA-N 0 3 314.433 2.201 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cnccc3n2)C[C@H]1C ZINC000947742615 646520049 /nfs/dbraw/zinc/52/00/49/646520049.db2.gz YXNXQRCCZQNJGC-UKRRQHHQSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cncc4[nH]ccc43)CCC[C@@H]12 ZINC000991598857 646529512 /nfs/dbraw/zinc/52/95/12/646529512.db2.gz UTKOLPVOVMIJHY-SJLPKXTDSA-N 0 3 310.401 2.476 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnnc3ccccc32)C[C@H]1C ZINC000947751262 646541545 /nfs/dbraw/zinc/54/15/45/646541545.db2.gz WORMYQJFQOIYMK-HUUCEWRRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C3CCC3)c2)C[C@H]1C ZINC000947315724 646549948 /nfs/dbraw/zinc/54/99/48/646549948.db2.gz YUAYEQVJDOMJJE-HIFRSBDPSA-N 0 3 302.422 2.377 20 30 DEEDHN C#C[C@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000812034832 646603987 /nfs/dbraw/zinc/60/39/87/646603987.db2.gz AFSZGBYEKLVUGY-HNNXBMFYSA-N 0 3 321.465 2.121 20 30 DEEDHN CCN(Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000812297788 646628047 /nfs/dbraw/zinc/62/80/47/646628047.db2.gz BXJRQURDDJGOFW-MRXNPFEDSA-N 0 3 311.389 2.194 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C(F)F)n(C)n3)CCC[C@H]12 ZINC000991839659 646653418 /nfs/dbraw/zinc/65/34/18/646653418.db2.gz IMUYFQMUMRGGRV-XJKSGUPXSA-N 0 3 324.375 2.271 20 30 DEEDHN C=CCOc1ccccc1CN1CCC(C(=O)N(C)OC)CC1 ZINC000812779372 646694563 /nfs/dbraw/zinc/69/45/63/646694563.db2.gz OMSUCFFRPSKXQU-UHFFFAOYSA-N 0 3 318.417 2.483 20 30 DEEDHN CC(=O)N(C)CC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000171567126 646705869 /nfs/dbraw/zinc/70/58/69/646705869.db2.gz YKCGUGKPVAFHOG-CYBMUJFWSA-N 0 3 313.382 2.465 20 30 DEEDHN CC(C)[C@@H](C(=O)NCc1ccc(C#N)cn1)N1CCCCC1 ZINC000813706990 646801351 /nfs/dbraw/zinc/80/13/51/646801351.db2.gz BJDDGWRUVSEFSK-INIZCTEOSA-N 0 3 300.406 2.080 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cn(C(C)C)cn3)CCC[C@H]12 ZINC000992016160 646828829 /nfs/dbraw/zinc/82/88/29/646828829.db2.gz XMDRTXANVBDYOO-DOTOQJQBSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccn(C(C)C)n3)CCC[C@H]12 ZINC000992295779 646933999 /nfs/dbraw/zinc/93/39/99/646933999.db2.gz HMDZPACPUSJIJP-DOTOQJQBSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nn3CC)CCC[C@@H]12 ZINC000992296728 646934808 /nfs/dbraw/zinc/93/48/08/646934808.db2.gz UPZSLCVNFQFJDE-NVXWUHKLSA-N 0 3 302.422 2.124 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc4c(c3)CCO4)CCC[C@@H]12 ZINC000992297621 646935352 /nfs/dbraw/zinc/93/53/52/646935352.db2.gz UXNASGKPWGKLBA-QUCCMNQESA-N 0 3 324.424 2.372 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)C[C@H]1C ZINC000948056550 646956560 /nfs/dbraw/zinc/95/65/60/646956560.db2.gz LACVXJAGGYZPPG-CHWSQXEVSA-N 0 3 314.389 2.438 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc4c([nH]3)CCC4)CCC[C@@H]12 ZINC000992393991 646968335 /nfs/dbraw/zinc/96/83/35/646968335.db2.gz AIAAAIUCLYTYDF-IEBWSBKVSA-N 0 3 311.429 2.254 20 30 DEEDHN CN1C(=O)C[C@@H](NCCOCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000815102868 646969627 /nfs/dbraw/zinc/96/96/27/646969627.db2.gz TUEWDIOMLIGRIV-GDBMZVCRSA-N 0 3 321.808 2.132 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993030078 647359814 /nfs/dbraw/zinc/35/98/14/647359814.db2.gz CWKIACZXOBVEPU-QWHCGFSZSA-N 0 3 308.451 2.395 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(F)ccc(F)c2OC)C1 ZINC001015498089 647364107 /nfs/dbraw/zinc/36/41/07/647364107.db2.gz HOSDPFZMBAFUSR-LLVKDONJSA-N 0 3 310.344 2.354 20 30 DEEDHN C[C@@H](Oc1ccccc1C#N)C(=O)OCCN1CCCCC1 ZINC000914602579 647397038 /nfs/dbraw/zinc/39/70/38/647397038.db2.gz BILOPELCYJTVHB-CQSZACIVSA-N 0 3 302.374 2.355 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1nc2ccccc2s1 ZINC000818110113 647422586 /nfs/dbraw/zinc/42/25/86/647422586.db2.gz VNWVPNLCOPJZBU-QWRGUYRKSA-N 0 3 302.403 2.495 20 30 DEEDHN Cc1cc(Br)ncc1NC(=O)[C@@H](N)CCCC#N ZINC000818121997 647423375 /nfs/dbraw/zinc/42/33/75/647423375.db2.gz LKKCZSUTMVAHMD-VIFPVBQESA-N 0 3 311.183 2.112 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000818593046 647484544 /nfs/dbraw/zinc/48/45/44/647484544.db2.gz JGLMGUXMICMIFY-HOCLYGCPSA-N 0 3 302.418 2.407 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000818602786 647486507 /nfs/dbraw/zinc/48/65/07/647486507.db2.gz FHRWFTSOCPKOLK-UHFFFAOYSA-N 0 3 309.413 2.471 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC000818608964 647487664 /nfs/dbraw/zinc/48/76/64/647487664.db2.gz BNOCMMMQKHXPMS-HNNXBMFYSA-N 0 3 304.821 2.441 20 30 DEEDHN C=CCS(=O)(=O)CCNC[C@H](O)c1cccc2ccccc21 ZINC000819222646 647610815 /nfs/dbraw/zinc/61/08/15/647610815.db2.gz TUSIOFHOBOMWJJ-KRWDZBQOSA-N 0 3 319.426 2.064 20 30 DEEDHN N#Cc1ccc([C@H](O)CNCc2ccc(OC(F)F)cn2)cc1 ZINC000819266061 647620712 /nfs/dbraw/zinc/62/07/12/647620712.db2.gz DBSTTXBNLHURRA-OAHLLOKOSA-N 0 3 319.311 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(F)cccc2OC)[C@@H]1C ZINC000993386380 647641316 /nfs/dbraw/zinc/64/13/16/647641316.db2.gz VKAGXUAMVDFNTP-DZGCQCFKSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C(F)F)ncn2)[C@H]1C ZINC000993495720 647680432 /nfs/dbraw/zinc/68/04/32/647680432.db2.gz WOHPHTWRTXNPQH-NEPJUHHUSA-N 0 3 322.359 2.020 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CCF)c2)[C@@H]1C ZINC000993519505 647688272 /nfs/dbraw/zinc/68/82/72/647688272.db2.gz KMGQLULDPLWDAQ-ZFWWWQNUSA-N 0 3 308.401 2.011 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccn3nccc23)[C@@H]1C ZINC000993528136 647690137 /nfs/dbraw/zinc/69/01/37/647690137.db2.gz LCGJSGZVSDFXOX-HOCLYGCPSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@H]1C ZINC000993579888 647697072 /nfs/dbraw/zinc/69/70/72/647697072.db2.gz ZMAOKODRVFZWLR-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc3ccc(C)cn32)[C@@H]1C ZINC000993593130 647710714 /nfs/dbraw/zinc/71/07/14/647710714.db2.gz RUWKBHDOHFMTRM-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)[C@@H]1C ZINC000993736345 647736573 /nfs/dbraw/zinc/73/65/73/647736573.db2.gz BCRHPDMRLGFTND-GOEBONIOSA-N 0 3 317.433 2.102 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc3n2CCCC3)[C@H]1C ZINC000993734743 647742072 /nfs/dbraw/zinc/74/20/72/647742072.db2.gz VGKOLOCFKLIVLE-HUUCEWRRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccnc2C)[C@@H]1C ZINC000993809759 647748485 /nfs/dbraw/zinc/74/84/85/647748485.db2.gz WWTLSOXUFTXNEC-DOTOQJQBSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2noc3c2CCCC3)[C@@H]1C ZINC000993862587 647752466 /nfs/dbraw/zinc/75/24/66/647752466.db2.gz QRAVYTMLMKOUIG-ZFWWWQNUSA-N 0 3 315.417 2.159 20 30 DEEDHN CCN(C(=O)Nc1cccc(OCC#N)c1)[C@H]1CCN(C)C1 ZINC000820004851 647762520 /nfs/dbraw/zinc/76/25/20/647762520.db2.gz IJJNWWZREFSNKR-AWEZNQCLSA-N 0 3 302.378 2.147 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(CCC)c2C)[C@H]1C ZINC000994091863 647788575 /nfs/dbraw/zinc/78/85/75/647788575.db2.gz LGBJDCDYRJIJLX-WBVHZDCISA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(CCC)on2)[C@H]1C ZINC000994123511 647789688 /nfs/dbraw/zinc/78/96/88/647789688.db2.gz KVGZFSWYMGBSCM-HIFRSBDPSA-N 0 3 303.406 2.233 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@@H]1C ZINC000994155737 647796452 /nfs/dbraw/zinc/79/64/52/647796452.db2.gz FPEODTFDJNFTEZ-XJKSGUPXSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@H]1C ZINC000994155732 647796721 /nfs/dbraw/zinc/79/67/21/647796721.db2.gz FPEODTFDJNFTEZ-CJNGLKHVSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3nccn3c2)[C@H]1C ZINC000994221692 647809894 /nfs/dbraw/zinc/80/98/94/647809894.db2.gz RFCJIGQSZOOZRF-ZBFHGGJFSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H]1C ZINC000994225879 647812156 /nfs/dbraw/zinc/81/21/56/647812156.db2.gz DJNWMQRUKTVOJP-KBPBESRZSA-N 0 3 304.438 2.233 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)[C@@H]1C ZINC000994231186 647813597 /nfs/dbraw/zinc/81/35/97/647813597.db2.gz NMNLBRMDUDNEDZ-GOEBONIOSA-N 0 3 312.417 2.191 20 30 DEEDHN COc1cc(C=NNCCN2CCCCC2)cc(Cl)c1O ZINC000915974526 647823589 /nfs/dbraw/zinc/82/35/89/647823589.db2.gz HUCDTVMKMADTIU-UHFFFAOYSA-N 0 3 311.813 2.464 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccnc2OCC)[C@H]1C ZINC000994334620 647913536 /nfs/dbraw/zinc/91/35/36/647913536.db2.gz ZLCOQJWXUMGKQA-GDBMZVCRSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cccc(OC)c2)[C@H]1C ZINC000994336172 647914181 /nfs/dbraw/zinc/91/41/81/647914181.db2.gz JCNMLWHHSYWSQA-RHSMWYFYSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@H]1C ZINC000994353570 647918070 /nfs/dbraw/zinc/91/80/70/647918070.db2.gz SOPDODWMXNILEO-CZUORRHYSA-N 0 3 312.417 2.261 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(OC)cc1 ZINC000916874661 647936130 /nfs/dbraw/zinc/93/61/30/647936130.db2.gz HUJOKGPWNFXFIM-OAHLLOKOSA-N 0 3 318.373 2.089 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@H]1C ZINC000994392974 647938834 /nfs/dbraw/zinc/93/88/34/647938834.db2.gz VWQVQCMCGZHWQW-GDBMZVCRSA-N 0 3 304.438 2.114 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn(C)nc2C(C)C)[C@H]1C ZINC000994409625 647943536 /nfs/dbraw/zinc/94/35/36/647943536.db2.gz GFKVPKAXVTVFIH-ZBFHGGJFSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCN(C(=O)NCc1cc(F)ccc1F)C1CCN(C)CC1 ZINC000916944343 647946975 /nfs/dbraw/zinc/94/69/75/647946975.db2.gz YZCMYERZJZTMKE-UHFFFAOYSA-N 0 3 321.371 2.204 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000917041012 647957612 /nfs/dbraw/zinc/95/76/12/647957612.db2.gz FJAHHFJEPLRIRN-ZFWWWQNUSA-N 0 3 314.410 2.471 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CN2CCc3ccccc32)[C@@H]1C ZINC000994453176 647957945 /nfs/dbraw/zinc/95/79/45/647957945.db2.gz QEWWYHBOFUIKLF-DOTOQJQBSA-N 0 3 313.445 2.204 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001015757401 647959022 /nfs/dbraw/zinc/95/90/22/647959022.db2.gz PNMLFAJMXQBGES-CYBMUJFWSA-N 0 3 308.784 2.235 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)c(C#N)c2)CC1 ZINC000917141584 647975939 /nfs/dbraw/zinc/97/59/39/647975939.db2.gz DUEQNHXFJIFFOE-UHFFFAOYSA-N 0 3 312.417 2.316 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@H]1C ZINC000994549299 648044166 /nfs/dbraw/zinc/04/41/66/648044166.db2.gz QDQQTOQKNGTURB-UKRRQHHQSA-N 0 3 304.438 2.141 20 30 DEEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)OC ZINC000918488484 648079007 /nfs/dbraw/zinc/07/90/07/648079007.db2.gz ZLOWNHOSDIAPDH-RISCZKNCSA-N 0 3 302.374 2.494 20 30 DEEDHN CCN1CCC[C@H](NC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000918548514 648087592 /nfs/dbraw/zinc/08/75/92/648087592.db2.gz WIEWOAIBYPYWKJ-AWEZNQCLSA-N 0 3 302.378 2.195 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CC[C@H](SC)C1)C1CCN(C)CC1 ZINC000920686447 648243016 /nfs/dbraw/zinc/24/30/16/648243016.db2.gz LJNZDPKYJNZZAX-ZFWWWQNUSA-N 0 3 309.479 2.010 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000824365471 648573302 /nfs/dbraw/zinc/57/33/02/648573302.db2.gz BESLTNVYOMEWGI-CVEARBPZSA-N 0 3 313.401 2.314 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3cccnc3n2)C[C@@H]1C ZINC000947327767 648951833 /nfs/dbraw/zinc/95/18/33/648951833.db2.gz IUFHMFDUYWVVGD-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C(C)(C)C1 ZINC000940862596 648957641 /nfs/dbraw/zinc/95/76/41/648957641.db2.gz RMIBIUWPQFOWJW-OAHLLOKOSA-N 0 3 316.449 2.305 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000941021968 648987829 /nfs/dbraw/zinc/98/78/29/648987829.db2.gz HHENCJVRUMYQER-DZGCQCFKSA-N 0 3 316.449 2.232 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccn3ccnc23)C(C)(C)C1 ZINC000941096843 649002781 /nfs/dbraw/zinc/00/27/81/649002781.db2.gz KNFIFJORSGMVTA-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)c[nH]c2=O)C(C)(C)C1 ZINC000941131143 649008994 /nfs/dbraw/zinc/00/89/94/649008994.db2.gz WXNMIRHVUUFZOL-HNNXBMFYSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000941288308 649034998 /nfs/dbraw/zinc/03/49/98/649034998.db2.gz JDYUZTBSZALNBO-UHFFFAOYSA-N 0 3 313.445 2.095 20 30 DEEDHN N#CC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCSCC1 ZINC000827459119 649037930 /nfs/dbraw/zinc/03/79/30/649037930.db2.gz GMFSBMRVCRJMDI-AWEZNQCLSA-N 0 3 307.463 2.156 20 30 DEEDHN C#C[C@H](NCc1cnn(Cc2ccccc2)c1)C1CCOCC1 ZINC000827571257 649052740 /nfs/dbraw/zinc/05/27/40/649052740.db2.gz XVSGILZXGWKHNV-IBGZPJMESA-N 0 3 309.413 2.449 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CN(CCC(=C)C)C2)CC1 ZINC000941551339 649056791 /nfs/dbraw/zinc/05/67/91/649056791.db2.gz ZSQJUTPXFDHXHJ-LJQANCHMSA-N 0 3 319.493 2.383 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(=O)OCC ZINC000827892757 649100941 /nfs/dbraw/zinc/10/09/41/649100941.db2.gz RYCDLNLHRVIMBT-QWHCGFSZSA-N 0 3 316.829 2.050 20 30 DEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)c1cocn1 ZINC000941885409 649111758 /nfs/dbraw/zinc/11/17/58/649111758.db2.gz MEBBYVGXDHITKW-CJNGLKHVSA-N 0 3 324.384 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@H](C)C1 ZINC000942053885 649145025 /nfs/dbraw/zinc/14/50/25/649145025.db2.gz VTTBDECSVYOEMA-RHSMWYFYSA-N 0 3 314.433 2.072 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(F)cccc2OC)[C@@H](C)C1 ZINC000942076039 649151646 /nfs/dbraw/zinc/15/16/46/649151646.db2.gz KZSNXNFLOLITPB-GXTWGEPZSA-N 0 3 306.381 2.461 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2C2CCCC2)[C@H](C)C1 ZINC000942095226 649155144 /nfs/dbraw/zinc/15/51/44/649155144.db2.gz MOZKAFYDRZFQJZ-ZBFHGGJFSA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2scnc2CC)[C@@H](C)C1 ZINC000942109226 649158031 /nfs/dbraw/zinc/15/80/31/649158031.db2.gz LQZHDMXPCNQGJE-JSGCOSHPSA-N 0 3 305.447 2.169 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(-n3cccc3)c2)[C@H](C)C1 ZINC000942154324 649170954 /nfs/dbraw/zinc/17/09/54/649170954.db2.gz XXAWFUDLYLOBKH-WBVHZDCISA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(C)c(Cl)cn2)[C@@H](C)C1 ZINC000942171919 649173701 /nfs/dbraw/zinc/17/37/01/649173701.db2.gz GVDPLXKLPRSXHS-BBRMVZONSA-N 0 3 319.836 2.046 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc3cnccc32)[C@@H](C)C1 ZINC000942182406 649176683 /nfs/dbraw/zinc/17/66/83/649176683.db2.gz XIKBSGUGBZUOOW-KXBFYZLASA-N 0 3 321.424 2.237 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@@H](C)C1 ZINC000942194444 649182593 /nfs/dbraw/zinc/18/25/93/649182593.db2.gz BIZPJVMRVNAIIU-ZFWWWQNUSA-N 0 3 304.438 2.264 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)[C@H](C)C1 ZINC000942201830 649182692 /nfs/dbraw/zinc/18/26/92/649182692.db2.gz AKSPZTNHGZNXLN-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)[C@H](C)C1 ZINC000942195139 649183001 /nfs/dbraw/zinc/18/30/01/649183001.db2.gz GKQDWFGZUJTURW-GDBMZVCRSA-N 0 3 324.428 2.037 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H](C)C1 ZINC000942220879 649187250 /nfs/dbraw/zinc/18/72/50/649187250.db2.gz YBZOSHCTHNOOPF-KGLIPLIRSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@H](C)C1 ZINC000942314756 649202482 /nfs/dbraw/zinc/20/24/82/649202482.db2.gz RHGKXBSKNDLHRP-HUUCEWRRSA-N 0 3 312.417 2.269 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC000948434970 649205596 /nfs/dbraw/zinc/20/55/96/649205596.db2.gz HADULCQLABXJAW-GFCCVEGCSA-N 0 3 322.840 2.185 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nncc3ccccc32)[C@@H](C)C1 ZINC000942444691 649220248 /nfs/dbraw/zinc/22/02/48/649220248.db2.gz PLXZKRYIWQKQCK-YOEHRIQHSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)[C@@H](C)C1 ZINC000942486065 649227510 /nfs/dbraw/zinc/22/75/10/649227510.db2.gz LUCFDOVNJMWDBL-DZGCQCFKSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2onc3c2CCCC3)[C@H](C)C1 ZINC000942485247 649227627 /nfs/dbraw/zinc/22/76/27/649227627.db2.gz GRHVWCJDCJTKDD-OCCSQVGLSA-N 0 3 303.406 2.180 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)noc2C2CC2)[C@@H](C)C1 ZINC000942522801 649233734 /nfs/dbraw/zinc/23/37/34/649233734.db2.gz HKHZEQGIJDCHJM-FZMZJTMJSA-N 0 3 303.406 2.487 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccncc2OC(C)C)[C@H](C)C1 ZINC000942530099 649236145 /nfs/dbraw/zinc/23/61/45/649236145.db2.gz PDYZNALVHDXSKT-ZBFHGGJFSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](C)C1 ZINC000942583972 649254538 /nfs/dbraw/zinc/25/45/38/649254538.db2.gz PVFBAPCICJGLAR-XJKSGUPXSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2conc2C2CC2)[C@H](C)C1 ZINC000942722092 649279875 /nfs/dbraw/zinc/27/98/75/649279875.db2.gz MFUAUMQSENQFTP-IUODEOHRSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000942980289 649309290 /nfs/dbraw/zinc/30/92/90/649309290.db2.gz VHDKFXPWMFOSFB-BLLLJJGKSA-N 0 3 322.811 2.481 20 30 DEEDHN C[C@@H](C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1CCCCCC1 ZINC000829504151 649317021 /nfs/dbraw/zinc/31/70/21/649317021.db2.gz ILWMTNUNQACRJP-KBXCAEBGSA-N 0 3 311.429 2.406 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(OC)c2C)[C@@H](C)C1 ZINC000943174397 649345059 /nfs/dbraw/zinc/34/50/59/649345059.db2.gz CNTBQYPOPIBBIV-BBRMVZONSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000943208522 649350532 /nfs/dbraw/zinc/35/05/32/649350532.db2.gz LRYVBEWRWARELP-GOEBONIOSA-N 0 3 322.412 2.150 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2OC)[C@@H](C)C1 ZINC000943464060 649378996 /nfs/dbraw/zinc/37/89/96/649378996.db2.gz COHIIGOXROFTIJ-WFASDCNBSA-N 0 3 303.406 2.025 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(OC)c2F)[C@@H](C)C1 ZINC000943751151 649420322 /nfs/dbraw/zinc/42/03/22/649420322.db2.gz XPBICRFURMZZBD-ZFWWWQNUSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2C)[C@H](C)C1 ZINC000943761138 649423604 /nfs/dbraw/zinc/42/36/04/649423604.db2.gz IAABUJIUICKGGL-CZUORRHYSA-N 0 3 304.438 2.228 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H](C)C1 ZINC000943771489 649427695 /nfs/dbraw/zinc/42/76/95/649427695.db2.gz HLSRRGAJIXGHPE-DOTOQJQBSA-N 0 3 316.449 2.003 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3ccccn3c2F)[C@@H](C)C1 ZINC000943986145 649468204 /nfs/dbraw/zinc/46/82/04/649468204.db2.gz CSJLFUSAZORIEW-STQMWFEESA-N 0 3 316.380 2.100 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2OC)[C@H](C)C1 ZINC000944226714 649500222 /nfs/dbraw/zinc/50/02/22/649500222.db2.gz JMKIMJHLAUXBNB-GDBMZVCRSA-N 0 3 300.402 2.077 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000944349241 649518522 /nfs/dbraw/zinc/51/85/22/649518522.db2.gz ZPWBOPALXPBRRB-MAUKXSAKSA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCn1c(C)nn(CN2CCN(C3CCC3)CC2)c1=S ZINC000733299090 649539869 /nfs/dbraw/zinc/53/98/69/649539869.db2.gz ZRMOWIDPMJYABH-UHFFFAOYSA-N 0 3 307.467 2.036 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@H](C)C1 ZINC000944909866 649585622 /nfs/dbraw/zinc/58/56/22/649585622.db2.gz WEOSQPZRHWYFHB-GDBMZVCRSA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)[C@@H](C)C1 ZINC000944945593 649589569 /nfs/dbraw/zinc/58/95/69/649589569.db2.gz SJAGQAFZUPCEJW-DZGCQCFKSA-N 0 3 316.449 2.305 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)[C@@H](C)C1 ZINC000945028557 649600258 /nfs/dbraw/zinc/60/02/58/649600258.db2.gz JKNOLSDNPSLPIJ-JSGCOSHPSA-N 0 3 314.389 2.296 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(C)s2)[C@@H](C)C1 ZINC000945182808 649625346 /nfs/dbraw/zinc/62/53/46/649625346.db2.gz QHEZSDZBODLZAK-XJKSGUPXSA-N 0 3 304.459 2.449 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000844410458 651124400 /nfs/dbraw/zinc/12/44/00/651124400.db2.gz WCRWUDMGXHTORT-NFAWXSAZSA-N 0 3 318.421 2.376 20 30 DEEDHN CO[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)C(F)(F)F ZINC000845440343 651243334 /nfs/dbraw/zinc/24/33/34/651243334.db2.gz DWEUHCWXEVBMAN-PWSUYJOCSA-N 0 3 320.311 2.112 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000845630165 651263832 /nfs/dbraw/zinc/26/38/32/651263832.db2.gz NJOLUPNZUXVKEM-IJEWVQPXSA-N 0 3 303.406 2.455 20 30 DEEDHN COC(=O)c1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848406593 651456721 /nfs/dbraw/zinc/45/67/21/651456721.db2.gz GSTXFYRJGCMDNE-AWEZNQCLSA-N 0 3 302.378 2.284 20 30 DEEDHN C#CCCOc1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848579358 651474551 /nfs/dbraw/zinc/47/45/51/651474551.db2.gz ZNNKSENKHLNZLI-KRWDZBQOSA-N 0 3 314.385 2.162 20 30 DEEDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1C#N ZINC000854678068 651534478 /nfs/dbraw/zinc/53/44/78/651534478.db2.gz UZAVBKHQEYBRHD-CYBMUJFWSA-N 0 3 313.401 2.123 20 30 DEEDHN C#Cc1cccc(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849488613 651681421 /nfs/dbraw/zinc/68/14/21/651681421.db2.gz CTNPIAZIJPDBDK-ZWKOTPCHSA-N 0 3 322.412 2.075 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(F)(F)c2ccc(F)cc2)CC1 ZINC000856157061 651860225 /nfs/dbraw/zinc/86/02/25/651860225.db2.gz ZCPWMGKLZXBJBY-UHFFFAOYSA-N 0 3 324.346 2.379 20 30 DEEDHN N#Cc1ccc2c(c1)[C@@H](NCC[S@@](=O)CC(F)(F)F)CC2 ZINC000850495970 651939870 /nfs/dbraw/zinc/93/98/70/651939870.db2.gz LOIROVKSALGOMI-YEJXKQKISA-N 0 3 316.348 2.446 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccco1 ZINC000850752144 651980550 /nfs/dbraw/zinc/98/05/50/651980550.db2.gz LFOYUDJMAOOYQQ-ZFWWWQNUSA-N 0 3 320.389 2.098 20 30 DEEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1cccc(C)c1)C1CCC1 ZINC000850756578 651981345 /nfs/dbraw/zinc/98/13/45/651981345.db2.gz BKWAJUZEQZKRRY-ZBFHGGJFSA-N 0 3 300.358 2.458 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857379572 652115639 /nfs/dbraw/zinc/11/56/39/652115639.db2.gz SKRKGUVDLIIXIL-GFCCVEGCSA-N 0 3 303.233 2.032 20 30 DEEDHN CO[C@@H]1CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000851746683 652225447 /nfs/dbraw/zinc/22/54/47/652225447.db2.gz WDYVZZATNQMKMY-HUUCEWRRSA-N 0 3 303.381 2.387 20 30 DEEDHN CCCCCCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000858111021 652257170 /nfs/dbraw/zinc/25/71/70/652257170.db2.gz PXXCKZRFZOPTPS-MRXNPFEDSA-N 0 3 312.502 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2COC3(CCC3)C2)CC1 ZINC000852072795 652331352 /nfs/dbraw/zinc/33/13/52/652331352.db2.gz JMVPXVGTCPFWRR-HNNXBMFYSA-N 0 3 307.438 2.038 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000852099130 652337916 /nfs/dbraw/zinc/33/79/16/652337916.db2.gz FJOYJHBYGGRBJX-LPHOPBHVSA-N 0 3 313.445 2.021 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCCOc1c(C)cccc1C ZINC000852100829 652338799 /nfs/dbraw/zinc/33/87/99/652338799.db2.gz BFJLIBPKZYRYMO-SFHVURJKSA-N 0 3 302.418 2.190 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCc1ccc(OCCC)cc1 ZINC000852102267 652339667 /nfs/dbraw/zinc/33/96/67/652339667.db2.gz KLQQPGIJQBNIHI-GOSISDBHSA-N 0 3 302.418 2.483 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000852102985 652339905 /nfs/dbraw/zinc/33/99/05/652339905.db2.gz VFHYJSIRMHJXAG-YVEFUNNKSA-N 0 3 308.372 2.404 20 30 DEEDHN C#CCNC(=O)CCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852127812 652347787 /nfs/dbraw/zinc/34/77/87/652347787.db2.gz WSHGFZAKXKNYPB-LLVKDONJSA-N 0 3 318.808 2.349 20 30 DEEDHN C=CC[C@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1ccncc1 ZINC000853747578 652598026 /nfs/dbraw/zinc/59/80/26/652598026.db2.gz UYOCYEPXISNORS-HOTGVXAUSA-N 0 3 302.422 2.434 20 30 DEEDHN C=CCn1c([C@H](O)C(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001356030474 1152052743 /nfs/dbraw/zinc/05/27/43/1152052743.db2.gz UEGTZQXUMBTAMM-CQSZACIVSA-N 0 3 321.469 2.074 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@@H](F)C2)CCOCC1 ZINC001393716604 1157923001 /nfs/dbraw/zinc/92/30/01/1157923001.db2.gz RVKMHODISZHBAN-QWHCGFSZSA-N 0 3 318.820 2.132 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)COC1 ZINC001356277649 1152069786 /nfs/dbraw/zinc/06/97/86/1152069786.db2.gz XIEMWLHRWXBRHR-CQSZACIVSA-N 0 3 316.357 2.159 20 30 DEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000859129678 685662563 /nfs/dbraw/zinc/66/25/63/685662563.db2.gz ANPRSWYEHNSOGI-UHFFFAOYSA-N 0 3 304.390 2.219 20 30 DEEDHN C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000858602937 685567381 /nfs/dbraw/zinc/56/73/81/685567381.db2.gz NIQPQMCTSMUFAI-GUYCJALGSA-N 0 3 313.401 2.393 20 30 DEEDHN CC(C)OCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001394680260 1158670878 /nfs/dbraw/zinc/67/08/78/1158670878.db2.gz VXHPDRRYJNRGJA-CHWSQXEVSA-N 0 3 321.446 2.124 20 30 DEEDHN C#CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000858871722 685611416 /nfs/dbraw/zinc/61/14/16/685611416.db2.gz KMXXEHIAMJHXGD-WBVHZDCISA-N 0 3 303.450 2.448 20 30 DEEDHN C=CCN(CC=C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000859073727 685649613 /nfs/dbraw/zinc/64/96/13/685649613.db2.gz NAMCBQSGFRHFIU-RHSMWYFYSA-N 0 3 310.438 2.421 20 30 DEEDHN Cc1cc(C)cc(OCCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000130980624 684194820 /nfs/dbraw/zinc/19/48/20/684194820.db2.gz LJVWGQHKJZEQTA-OAHLLOKOSA-N 0 3 302.374 2.306 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccnc(F)c1)C2 ZINC001054099300 693843419 /nfs/dbraw/zinc/84/34/19/693843419.db2.gz DXURIBOWQFUTJC-SFHVURJKSA-N 0 3 315.392 2.172 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001054134520 693858266 /nfs/dbraw/zinc/85/82/66/693858266.db2.gz GHKYQANPKHTGPP-NSHGMRRFSA-N 0 3 323.440 2.133 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC(F)(F)C1)C2 ZINC001054142795 693860402 /nfs/dbraw/zinc/86/04/02/693860402.db2.gz JBTSFOUSVVUUON-HOCLYGCPSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1occ3c1CCC3)C2 ZINC001054171053 693869457 /nfs/dbraw/zinc/86/94/57/693869457.db2.gz XYSPSDDUGWGKLC-IBGZPJMESA-N 0 3 312.413 2.330 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCCCO1)C2 ZINC001054208562 693882465 /nfs/dbraw/zinc/88/24/65/693882465.db2.gz RFWYDSDIRPVDQS-MJGOQNOKSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(C)C)no1)C2 ZINC001054208003 693882551 /nfs/dbraw/zinc/88/25/51/693882551.db2.gz CVOVPISEZHFERY-GOSISDBHSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](OC)C1CCCC1)C2 ZINC001054233835 693894152 /nfs/dbraw/zinc/89/41/52/693894152.db2.gz SABYUPVSXKVOGF-IEBWSBKVSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cnccn3)cc2C1 ZINC001054254035 693901607 /nfs/dbraw/zinc/90/16/07/693901607.db2.gz NQJBOSIEIOZZAG-UHFFFAOYSA-N 0 3 308.385 2.298 20 30 DEEDHN CN(CCNC(=O)c1ccccc1OCC#N)Cc1ccccc1 ZINC000194195369 685060277 /nfs/dbraw/zinc/06/02/77/685060277.db2.gz OZHMYHFOUHKUDY-UHFFFAOYSA-N 0 3 323.396 2.451 20 30 DEEDHN CCCC(=O)N1C[C@H](NCc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC001054326488 693932852 /nfs/dbraw/zinc/93/28/52/693932852.db2.gz OZHPBZGCPHBJGV-BBRMVZONSA-N 0 3 315.417 2.303 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](c2ccccn2)C1 ZINC000859290722 685699494 /nfs/dbraw/zinc/69/94/94/685699494.db2.gz BMCKLXPVXPGUIM-DLBZAZTESA-N 0 3 323.396 2.182 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929417807 693952333 /nfs/dbraw/zinc/95/23/33/693952333.db2.gz FRAPRBPYGFRBBS-UHFFFAOYSA-N 0 3 323.396 2.303 20 30 DEEDHN C#CC[C@@H](CCOC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000860409735 685922830 /nfs/dbraw/zinc/92/28/30/685922830.db2.gz XELSBYSXRYXOST-HNNXBMFYSA-N 0 3 303.406 2.298 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000860463410 685930147 /nfs/dbraw/zinc/93/01/47/685930147.db2.gz BSADPOMGTABVFB-LXFSFDBISA-N 0 3 308.422 2.451 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1OC ZINC000860473390 685931368 /nfs/dbraw/zinc/93/13/68/685931368.db2.gz LWVAYXSKKSXFIX-FBWYHRDQSA-N 0 3 314.341 2.151 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H](N2CCNC2=O)C1 ZINC000929650233 693997430 /nfs/dbraw/zinc/99/74/30/693997430.db2.gz SBHNJOWNUALFIR-INIZCTEOSA-N 0 3 312.417 2.165 20 30 DEEDHN CCN(C(=O)c1cc(C#N)cc(N(C)C)c1)C1CCN(C)CC1 ZINC000861891366 686200447 /nfs/dbraw/zinc/20/04/47/686200447.db2.gz ZHICBLJBYUJEHF-UHFFFAOYSA-N 0 3 314.433 2.181 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1ccc(Cl)nc1 ZINC001054640169 694012832 /nfs/dbraw/zinc/01/28/32/694012832.db2.gz WZVQRURNFMSMFC-WFASDCNBSA-N 0 3 317.820 2.085 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001054676514 694021498 /nfs/dbraw/zinc/02/14/98/694021498.db2.gz BSJFCOALGFRUQQ-SMDDNHRTSA-N 0 3 324.856 2.135 20 30 DEEDHN CC(C)[C@H](CCN(C)C[C@H](O)CC#N)NC(=O)OC(C)(C)C ZINC000929797409 694030117 /nfs/dbraw/zinc/03/01/17/694030117.db2.gz TTZWBOBHTJRDRV-KGLIPLIRSA-N 0 3 313.442 2.132 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000863586415 686528327 /nfs/dbraw/zinc/52/83/27/686528327.db2.gz ZTZQAOCWOHLVOA-LJQANCHMSA-N 0 3 320.392 2.315 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCS(=O)(=O)[C@@H]2C)c([O-])c1 ZINC000864346614 686693894 /nfs/dbraw/zinc/69/38/94/686693894.db2.gz XYHFIODTTKLYFU-AUCUTYNJSA-N 0 3 324.446 2.233 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCCOCC(F)(F)F ZINC000865407210 687200431 /nfs/dbraw/zinc/20/04/31/687200431.db2.gz VBMMWQQBKJSRHS-UHFFFAOYSA-N 0 3 301.312 2.293 20 30 DEEDHN Cc1c(Cl)cccc1CNCCNC(=O)C1N=CC=CC1=O ZINC000865462196 687221129 /nfs/dbraw/zinc/22/11/29/687221129.db2.gz KMEPCZKYENXHER-NXVVXOECSA-N 0 3 319.792 2.264 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2-n2cccn2)C1 ZINC001015757342 687410171 /nfs/dbraw/zinc/41/01/71/687410171.db2.gz HCHVXFOTKKIPCI-HNNXBMFYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001015799751 687426610 /nfs/dbraw/zinc/42/66/10/687426610.db2.gz ZTOVGOFMVFWLHA-ZDUSSCGKSA-N 0 3 305.447 2.330 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001015802846 687427968 /nfs/dbraw/zinc/42/79/68/687427968.db2.gz LXCCSYOWAILNSF-ZDUSSCGKSA-N 0 3 322.478 2.288 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCN(CC[C@H](C)F)C2)cc1 ZINC001015809796 687429277 /nfs/dbraw/zinc/42/92/77/687429277.db2.gz URWQGYZEDANNDF-HOCLYGCPSA-N 0 3 318.392 2.251 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001015928305 687468300 /nfs/dbraw/zinc/46/83/00/687468300.db2.gz YKJSCOHRDNXXDV-NSHDSACASA-N 0 3 302.403 2.072 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001016187063 687553190 /nfs/dbraw/zinc/55/31/90/687553190.db2.gz JJPYRGYFYWXEIF-MRXNPFEDSA-N 0 3 310.397 2.498 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001016302929 687586186 /nfs/dbraw/zinc/58/61/86/687586186.db2.gz QRBPLLBJRVWMDY-AEGPPILISA-N 0 3 318.367 2.282 20 30 DEEDHN CC(C)CN1C[C@H]2CN(CC3CCC(C#N)CC3)CCN2C1=O ZINC000930262250 694122685 /nfs/dbraw/zinc/12/26/85/694122685.db2.gz GZNWSLJVEWTXGI-OFLPRAFFSA-N 0 3 318.465 2.394 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001016366964 687602785 /nfs/dbraw/zinc/60/27/85/687602785.db2.gz GKLVYZIAVLNWNB-INIZCTEOSA-N 0 3 311.429 2.487 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001016366967 687603892 /nfs/dbraw/zinc/60/38/92/687603892.db2.gz GKLVYZIAVLNWNB-MRXNPFEDSA-N 0 3 311.429 2.487 20 30 DEEDHN CC[C@H](F)CN1CCC2(C[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016575972 687656665 /nfs/dbraw/zinc/65/66/65/687656665.db2.gz KTLBCRCTRUUHLU-SWLSCSKDSA-N 0 3 318.396 2.219 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2nc(C(C)C)oc2C)CC1 ZINC001016623815 687667762 /nfs/dbraw/zinc/66/77/62/687667762.db2.gz RBJPEWLETIBCTF-AWEZNQCLSA-N 0 3 315.417 2.324 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc(C3CC3)on2)CC1 ZINC001016755232 687696886 /nfs/dbraw/zinc/69/68/86/687696886.db2.gz BLDKGTZWENCCCN-MRXNPFEDSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC001016797972 687705104 /nfs/dbraw/zinc/70/51/04/687705104.db2.gz IERLBUVJMBJCFO-MRXNPFEDSA-N 0 3 318.367 2.111 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001016866954 687722543 /nfs/dbraw/zinc/72/25/43/687722543.db2.gz XPVODPIIKQDGGM-FGTMMUONSA-N 0 3 308.425 2.394 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(Cl)cn2)CC1 ZINC001016936198 687737450 /nfs/dbraw/zinc/73/74/50/687737450.db2.gz BMUMKMRNDSKZTN-OAHLLOKOSA-N 0 3 317.820 2.343 20 30 DEEDHN Cc1nc(C)c(CN(C)C[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001017070596 687780279 /nfs/dbraw/zinc/78/02/79/687780279.db2.gz HGRWDDNDZHLSGZ-IUODEOHRSA-N 0 3 318.421 2.122 20 30 DEEDHN Cc1noc(C)c1CN(C)C[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001017072967 687781387 /nfs/dbraw/zinc/78/13/87/687781387.db2.gz XOXPXSLFMJJMFZ-SWLSCSKDSA-N 0 3 318.421 2.122 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)C[C@@H](N)c1ccccc1)C2 ZINC000868037399 687886454 /nfs/dbraw/zinc/88/64/54/687886454.db2.gz DRKKIMNRLOOVSM-QZTJIDSGSA-N 0 3 305.381 2.232 20 30 DEEDHN CCCN(CCN1CCCCC1)C(=O)[C@@]1(C#N)CCCOC1 ZINC000868286764 687969734 /nfs/dbraw/zinc/96/97/34/687969734.db2.gz UDLMEXCFGSEADJ-QGZVFWFLSA-N 0 3 307.438 2.031 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCOCC1 ZINC001018352120 688115319 /nfs/dbraw/zinc/11/53/19/688115319.db2.gz ANUWAPQTLAZGOY-OIISXLGYSA-N 0 3 306.450 2.300 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCC3)C2)cc1F ZINC001018391965 688121574 /nfs/dbraw/zinc/12/15/74/688121574.db2.gz HCKUIVPFPIFRIP-HNNXBMFYSA-N 0 3 301.365 2.188 20 30 DEEDHN COc1ccc(CN[C@H]2CCN(C(=O)C=C(C)C)C2)cc1C#N ZINC001018450793 688142701 /nfs/dbraw/zinc/14/27/01/688142701.db2.gz IAOPUOOXVXYKOM-INIZCTEOSA-N 0 3 313.401 2.224 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018716419 688216348 /nfs/dbraw/zinc/21/63/48/688216348.db2.gz CDMDHKVYVZHMOQ-LSDHHAIUSA-N 0 3 315.392 2.434 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3cccnc3C)C2)cc1 ZINC001019223151 688302604 /nfs/dbraw/zinc/30/26/04/688302604.db2.gz IKCTYQZURDJPOL-IBGZPJMESA-N 0 3 319.408 2.376 20 30 DEEDHN CC(C)[C@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001019257191 688311706 /nfs/dbraw/zinc/31/17/06/688311706.db2.gz LZSBUABNKLUNHP-HOCLYGCPSA-N 0 3 321.371 2.382 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3scnc3C)C2)C1 ZINC001019353645 688338568 /nfs/dbraw/zinc/33/85/68/688338568.db2.gz VMRCCFAJSYLFIV-ZDUSSCGKSA-N 0 3 305.447 2.498 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@H]3CC34CC4)C2)s1 ZINC001019430616 688355256 /nfs/dbraw/zinc/35/52/56/688355256.db2.gz QAPAIBTXOKSDIP-SMDDNHRTSA-N 0 3 301.415 2.110 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001019878245 688418545 /nfs/dbraw/zinc/41/85/45/688418545.db2.gz AGTMYVRPTIPPLK-LBPRGKRZSA-N 0 3 305.447 2.186 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)[C@H]3CC3(F)F)C2)c1 ZINC001020134829 688471220 /nfs/dbraw/zinc/47/12/20/688471220.db2.gz DNPPIJDBZBGZKG-JHJVBQTASA-N 0 3 323.318 2.089 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001020277640 688493616 /nfs/dbraw/zinc/49/36/16/688493616.db2.gz PJFDMOJOQROWCI-GUBZILKMSA-N 0 3 323.181 2.177 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001020290711 688497698 /nfs/dbraw/zinc/49/76/98/688497698.db2.gz QVZVEWVGWZGTQA-DRZSPHRISA-N 0 3 322.840 2.068 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001028997823 688548259 /nfs/dbraw/zinc/54/82/59/688548259.db2.gz DSEYJIWVDTVIAF-HNNXBMFYSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001029027559 688550608 /nfs/dbraw/zinc/55/06/08/688550608.db2.gz NRBZKYMOXFELAK-CYBMUJFWSA-N 0 3 306.356 2.483 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)Nc1cc(CC#N)ccn1 ZINC000871721071 688850809 /nfs/dbraw/zinc/85/08/09/688850809.db2.gz RUZHXKHVOILLSK-UHFFFAOYSA-N 0 3 303.410 2.199 20 30 DEEDHN CCCN(C(=O)Nc1cc(CC#N)ccn1)[C@@H]1CCN(C)C1 ZINC000871733751 688855175 /nfs/dbraw/zinc/85/51/75/688855175.db2.gz MXAMGBJDKNTKPV-CQSZACIVSA-N 0 3 301.394 2.096 20 30 DEEDHN CN(C)C(=O)[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000871929066 688896898 /nfs/dbraw/zinc/89/68/98/688896898.db2.gz QPFVIRKIQABAFA-RTBURBONSA-N 0 3 319.408 2.445 20 30 DEEDHN Cc1ccc(CCN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001031620958 688965716 /nfs/dbraw/zinc/96/57/16/688965716.db2.gz RNNKUICEJRVTSI-UHFFFAOYSA-N 0 3 322.412 2.099 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000872286546 688974895 /nfs/dbraw/zinc/97/48/95/688974895.db2.gz KNZABQOVFYYCHG-HOTGVXAUSA-N 0 3 307.438 2.348 20 30 DEEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C)cc2C#N)CC1 ZINC000872432482 688998933 /nfs/dbraw/zinc/99/89/33/688998933.db2.gz SIJUIZXPGOQQJP-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2scnc2C(F)F)C1 ZINC001031839676 689005953 /nfs/dbraw/zinc/00/59/53/689005953.db2.gz JTUOJBYDBHDXMC-UHFFFAOYSA-N 0 3 301.362 2.318 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001032170564 689076574 /nfs/dbraw/zinc/07/65/74/689076574.db2.gz HUGJYGIFRNGRDF-UHFFFAOYSA-N 0 3 306.793 2.034 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C1CC1 ZINC001032426773 689147899 /nfs/dbraw/zinc/14/78/99/689147899.db2.gz VVPMLSAZUHCHFA-GJZGRUSLSA-N 0 3 314.433 2.162 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001032517220 689173939 /nfs/dbraw/zinc/17/39/39/689173939.db2.gz VXRVHNLBLJXFGK-HRCADAONSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1ccc(C)n1 ZINC001032559880 689186566 /nfs/dbraw/zinc/18/65/66/689186566.db2.gz NETVBJATJFYIKL-ULQDDVLXSA-N 0 3 316.449 2.394 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]c2cnccc12 ZINC001032588087 689195262 /nfs/dbraw/zinc/19/52/62/689195262.db2.gz FXDGQRIGQXSHTG-HOTGVXAUSA-N 0 3 324.428 2.357 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCO2)C1 ZINC001032614803 689202435 /nfs/dbraw/zinc/20/24/35/689202435.db2.gz ZQNOZLGNHQTKFN-HRCADAONSA-N 0 3 304.434 2.197 20 30 DEEDHN C[C@@H](CNC(=O)C1(C#N)CCSCC1)N1CCC(C)CC1 ZINC000930911394 694269855 /nfs/dbraw/zinc/26/98/55/694269855.db2.gz NBZALKCCYXXNRX-AWEZNQCLSA-N 0 3 309.479 2.260 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC(OC)CC1 ZINC001032819524 689271531 /nfs/dbraw/zinc/27/15/31/689271531.db2.gz GIJBSMLBBLQYLK-YZUHTNEWSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncnc3sccc32)C1 ZINC001033095121 689384805 /nfs/dbraw/zinc/38/48/05/689384805.db2.gz QUTVPALPARCEED-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(OCC)nc2)C1 ZINC001033121238 689395788 /nfs/dbraw/zinc/39/57/88/689395788.db2.gz BEWAFCUQVVTVCP-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033131887 689400102 /nfs/dbraw/zinc/40/01/02/689400102.db2.gz KXJIHPBPXRWHPJ-GOSISDBHSA-N 0 3 309.413 2.417 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001033140111 689402971 /nfs/dbraw/zinc/40/29/71/689402971.db2.gz PUDPFVHIHHYXOE-GFCCVEGCSA-N 0 3 320.824 2.110 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033190019 689418171 /nfs/dbraw/zinc/41/81/71/689418171.db2.gz FVBVBEJXAMJLEC-SFHVURJKSA-N 0 3 321.424 2.333 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001033236456 689434508 /nfs/dbraw/zinc/43/45/08/689434508.db2.gz FGXBFWSZRLCDIQ-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2nc3cnccc3s2)C1 ZINC001033254384 689440022 /nfs/dbraw/zinc/44/00/22/689440022.db2.gz MIMQDHSBULOUQW-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccncc2Cl)C1 ZINC001033424922 689496857 /nfs/dbraw/zinc/49/68/57/689496857.db2.gz GXTFRFUGFCAHPC-AWEZNQCLSA-N 0 3 307.825 2.386 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1 ZINC000874828926 689503976 /nfs/dbraw/zinc/50/39/76/689503976.db2.gz YWFMFKYEJWAVRK-MSOLQXFVSA-N 0 3 312.413 2.397 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874843154 689515122 /nfs/dbraw/zinc/51/51/22/689515122.db2.gz MUIAFMQEOUUXOA-NUEKZKHPSA-N 0 3 313.401 2.021 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)nn(CC)c2C)C1 ZINC001033505814 689524067 /nfs/dbraw/zinc/52/40/67/689524067.db2.gz PYERVCRBEQAGKG-HNNXBMFYSA-N 0 3 304.438 2.242 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033513246 689526554 /nfs/dbraw/zinc/52/65/54/689526554.db2.gz SFYCUMCTGQKITR-OAHLLOKOSA-N 0 3 309.413 2.348 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001033554653 689540503 /nfs/dbraw/zinc/54/05/03/689540503.db2.gz HVIGHXDHOOEPHQ-KRWDZBQOSA-N 0 3 313.445 2.401 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3ccncc3c2)C1 ZINC001033554180 689540855 /nfs/dbraw/zinc/54/08/55/689540855.db2.gz BDKNPNYUGBFCCU-SFHVURJKSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn(CC(C)C)c2C)C1 ZINC001033624932 689563695 /nfs/dbraw/zinc/56/36/95/689563695.db2.gz RSMXYFYJEDFBJR-INIZCTEOSA-N 0 3 316.449 2.017 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001033631522 689566839 /nfs/dbraw/zinc/56/68/39/689566839.db2.gz PLGWSKVEUASWES-QGZVFWFLSA-N 0 3 313.445 2.401 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3cccnc3n2)C1 ZINC001033834742 689631010 /nfs/dbraw/zinc/63/10/10/689631010.db2.gz IYVODYBXZYCXOL-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001033841914 689634367 /nfs/dbraw/zinc/63/43/67/689634367.db2.gz CLHPARWNHLNLTR-ZDUSSCGKSA-N 0 3 324.375 2.146 20 30 DEEDHN C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2[n-]ncc2C(F)(F)F)C1 ZINC001033853065 689638681 /nfs/dbraw/zinc/63/86/81/689638681.db2.gz DBDKMZSKDJBNHK-SNVBAGLBSA-N 0 3 316.327 2.151 20 30 DEEDHN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2[n-]ncc2C(F)(F)F)C1 ZINC001033853065 689638684 /nfs/dbraw/zinc/63/86/84/689638684.db2.gz DBDKMZSKDJBNHK-SNVBAGLBSA-N 0 3 316.327 2.151 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nc(C)n3ccccc23)C1 ZINC001033901764 689656438 /nfs/dbraw/zinc/65/64/38/689656438.db2.gz PQNWBYFCFRSKBH-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033903602 689657027 /nfs/dbraw/zinc/65/70/27/689657027.db2.gz ADZIUOLXIQWRPB-LUKYLMHMSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001033918824 689661612 /nfs/dbraw/zinc/66/16/12/689661612.db2.gz OXMDIKSFYBTSIO-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001033953610 689672545 /nfs/dbraw/zinc/67/25/45/689672545.db2.gz OLKZQDCBTZRWDN-SJLPKXTDSA-N 0 3 313.445 2.295 20 30 DEEDHN C#CC[C@@H](CCOC)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000875917419 689717198 /nfs/dbraw/zinc/71/71/98/689717198.db2.gz CUNGKEYBJMDWAT-INIZCTEOSA-N 0 3 321.465 2.075 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001034211884 689764778 /nfs/dbraw/zinc/76/47/78/689764778.db2.gz PMCVDRZEHBLKDH-HUUCEWRRSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001034223608 689770201 /nfs/dbraw/zinc/77/02/01/689770201.db2.gz QBAKSTHFPYHFMO-ZDUSSCGKSA-N 0 3 322.840 2.164 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)c(OC)cc1C ZINC000931092018 694313912 /nfs/dbraw/zinc/31/39/12/694313912.db2.gz SREPHHHLGACACU-UHFFFAOYSA-N 0 3 303.406 2.389 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001034237914 689775997 /nfs/dbraw/zinc/77/59/97/689775997.db2.gz CYETWSXVFCZOSO-LBPRGKRZSA-N 0 3 322.840 2.233 20 30 DEEDHN CC#CCN1CCCC[C@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC001034284472 689795348 /nfs/dbraw/zinc/79/53/48/689795348.db2.gz KRWHMWVQRMAGMP-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001034286141 689796321 /nfs/dbraw/zinc/79/63/21/689796321.db2.gz JFHOAQKTHBSICH-GFCCVEGCSA-N 0 3 322.840 2.235 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncc3ccccn32)C1 ZINC001034308268 689804358 /nfs/dbraw/zinc/80/43/58/689804358.db2.gz XANMNKKOTIDTOY-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001034308026 689804562 /nfs/dbraw/zinc/80/45/62/689804562.db2.gz RNAVLCMEUAZBJO-AWEZNQCLSA-N 0 3 315.417 2.161 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001034368158 689825362 /nfs/dbraw/zinc/82/53/62/689825362.db2.gz KTYHHMJCAXMDSS-QGZVFWFLSA-N 0 3 311.429 2.107 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001034422127 689843798 /nfs/dbraw/zinc/84/37/98/689843798.db2.gz TWARRTZASRORBO-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000876555986 689855227 /nfs/dbraw/zinc/85/52/27/689855227.db2.gz IUKJCKLMXGRSNS-CYBMUJFWSA-N 0 3 323.824 2.481 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000876563364 689858087 /nfs/dbraw/zinc/85/80/87/689858087.db2.gz FARYXLSYSXMRGT-BXKDBHETSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000876576814 689863552 /nfs/dbraw/zinc/86/35/52/689863552.db2.gz QJKLLWONGAWXKY-ZDUSSCGKSA-N 0 3 309.772 2.436 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000876580998 689864728 /nfs/dbraw/zinc/86/47/28/689864728.db2.gz WNPPDQKWVGSHLU-AWEZNQCLSA-N 0 3 321.808 2.305 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(COCCOC)c1 ZINC000876591836 689868670 /nfs/dbraw/zinc/86/86/70/689868670.db2.gz AMTYUGHCORMRHY-CQSZACIVSA-N 0 3 312.797 2.258 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000876610214 689875458 /nfs/dbraw/zinc/87/54/58/689875458.db2.gz SQWYGQZJCKVKQM-CYBMUJFWSA-N 0 3 309.797 2.233 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001034517009 689882861 /nfs/dbraw/zinc/88/28/61/689882861.db2.gz VFZALSNRLXWHSH-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cc3ccccc3n2C)CC1 ZINC000876634340 689883931 /nfs/dbraw/zinc/88/39/31/689883931.db2.gz OWUFMGUXCDHJPK-UHFFFAOYSA-N 0 3 309.413 2.140 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC(=O)OC)c1ccccc1 ZINC000876650334 689889032 /nfs/dbraw/zinc/88/90/32/689889032.db2.gz BNLYTUMGLDLNBM-ZIAGYGMSSA-N 0 3 324.808 2.267 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001034532228 689889048 /nfs/dbraw/zinc/88/90/48/689889048.db2.gz MEGHVXNHCGDEQF-ZBFHGGJFSA-N 0 3 318.392 2.286 20 30 DEEDHN C#CCCCCCCN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000876753028 689927009 /nfs/dbraw/zinc/92/70/09/689927009.db2.gz GYMZQNTXEKGCQI-UHFFFAOYSA-N 0 3 313.445 2.491 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1nc2ccccc2n1C ZINC000876767135 689931039 /nfs/dbraw/zinc/93/10/39/689931039.db2.gz BYXAZCODGAJQQQ-LBPRGKRZSA-N 0 3 320.824 2.092 20 30 DEEDHN CC(C)[C@H]1CN(C[C@H](O)CC#N)CCN1Cc1ccccc1 ZINC000931172634 694332044 /nfs/dbraw/zinc/33/20/44/694332044.db2.gz YEOMTLJGVVPETI-QZTJIDSGSA-N 0 3 301.434 2.103 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)C(F)F)cc1F ZINC001034836181 689957450 /nfs/dbraw/zinc/95/74/50/689957450.db2.gz HVJMEYZCZMVWML-GFCCVEGCSA-N 0 3 311.307 2.043 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000876887921 689964876 /nfs/dbraw/zinc/96/48/76/689964876.db2.gz JRCSMBBZCWZYAT-HZMBPMFUSA-N 0 3 324.808 2.447 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000876897257 689967629 /nfs/dbraw/zinc/96/76/29/689967629.db2.gz IILLLVBXFLBHHR-LLVKDONJSA-N 0 3 307.785 2.261 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1([C@H](O)c2ccccc2)CC1 ZINC000876902547 689968714 /nfs/dbraw/zinc/96/87/14/689968714.db2.gz NGDJUPJKUWVJLE-ZIAGYGMSSA-N 0 3 308.809 2.086 20 30 DEEDHN Cc1nsc(C)c1CNC[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC001034886316 689978822 /nfs/dbraw/zinc/97/88/22/689978822.db2.gz IXXPXZNYTIYTAP-ZWNOBZJWSA-N 0 3 306.435 2.000 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001034887449 689979243 /nfs/dbraw/zinc/97/92/43/689979243.db2.gz WWTQXKSDZQZOFK-IAQYHMDHSA-N 0 3 307.344 2.205 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000876979108 689988692 /nfs/dbraw/zinc/98/86/92/689988692.db2.gz TXGSSNADBKIRLA-UTLUCORTSA-N 0 3 314.735 2.025 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000877010654 689996464 /nfs/dbraw/zinc/99/64/64/689996464.db2.gz GKVLFTSKGMZDAL-IAQYHMDHSA-N 0 3 316.829 2.085 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)c2cc[nH]c2)s1 ZINC001034944476 689997054 /nfs/dbraw/zinc/99/70/54/689997054.db2.gz FYNNGPVIYBHGSW-CYBMUJFWSA-N 0 3 314.414 2.342 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001035017259 690011670 /nfs/dbraw/zinc/01/16/70/690011670.db2.gz KTQCFWDQWRLWMI-ZOWXZIJZSA-N 0 3 303.431 2.356 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)C2(CF)CC2)s1 ZINC001035048043 690020413 /nfs/dbraw/zinc/02/04/13/690020413.db2.gz LKMQQGDHOBWSRL-GFCCVEGCSA-N 0 3 321.421 2.450 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000877202755 690044796 /nfs/dbraw/zinc/04/47/96/690044796.db2.gz GFDRUPJHGYDYGQ-CHWSQXEVSA-N 0 3 300.830 2.312 20 30 DEEDHN Cc1csc([C@@H]2CCN(C(=O)[C@H](N)CCCCC#N)C2)n1 ZINC000877350685 690086010 /nfs/dbraw/zinc/08/60/10/690086010.db2.gz GJWUKNCMKSLTJX-CHWSQXEVSA-N 0 3 306.435 2.179 20 30 DEEDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2cccc(C#N)n2)C1 ZINC000877546092 690147458 /nfs/dbraw/zinc/14/74/58/690147458.db2.gz OCHQPYRRRCLTAX-LJQANCHMSA-N 0 3 321.380 2.270 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCOCC1)CC2 ZINC001035695048 690154659 /nfs/dbraw/zinc/15/46/59/690154659.db2.gz JXIHOXZHLBULHM-MRXNPFEDSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)CC2 ZINC001035708564 690157302 /nfs/dbraw/zinc/15/73/02/690157302.db2.gz XKBWQMBSVJGIAQ-JKSUJKDBSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC(F)(F)C1)CC2 ZINC001035723962 690161569 /nfs/dbraw/zinc/16/15/69/690161569.db2.gz ZOOCBUILHNTBBF-AWEZNQCLSA-N 0 3 310.388 2.370 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccc(F)cn1)CC2 ZINC001035734380 690163861 /nfs/dbraw/zinc/16/38/61/690163861.db2.gz DPRZQAOVVYGBJX-UHFFFAOYSA-N 0 3 317.408 2.264 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(OC)nc1)CC2 ZINC001035747060 690166905 /nfs/dbraw/zinc/16/69/05/690166905.db2.gz IFTGBMJSIFHQNP-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cn1nc(C)cc1C)CC2 ZINC001035747582 690166957 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CO[C@@H](C)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001371059006 1155675576 /nfs/dbraw/zinc/67/55/76/1155675576.db2.gz KNIALBISUSURPV-IGEOTXOUSA-N 0 3 315.417 2.110 20 30 DEEDHN CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccccc1C ZINC001390908826 1155948035 /nfs/dbraw/zinc/94/80/35/1155948035.db2.gz QFAADDXAICBTEN-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN C[C@H](CCNC(=O)[C@@H](C)C#N)NCc1nsc2ccccc12 ZINC001371729340 1155977688 /nfs/dbraw/zinc/97/76/88/1155977688.db2.gz AMXGTUJRZJOEOH-NWDGAFQWSA-N 0 3 316.430 2.440 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001391545443 1156519570 /nfs/dbraw/zinc/51/95/70/1156519570.db2.gz MBDLJPQUTNJDBL-BBRMVZONSA-N 0 3 303.381 2.108 20 30 DEEDHN C=C(Cl)CN1CCC(CCNC(=O)CN(C)CCC)CC1 ZINC001391847221 1156815478 /nfs/dbraw/zinc/81/54/78/1156815478.db2.gz LEKUDFRCLSEADW-UHFFFAOYSA-N 0 3 315.889 2.299 20 30 DEEDHN COc1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c1C ZINC001373664236 1157233383 /nfs/dbraw/zinc/23/33/83/1157233383.db2.gz APGLHWHUTXZQKF-XJKSGUPXSA-N 0 3 315.417 2.196 20 30 DEEDHN C[C@H](CCNC(=O)c1cscn1)NCc1ccccc1C#N ZINC001403343042 1162856515 /nfs/dbraw/zinc/85/65/15/1162856515.db2.gz FFSDFRATTMSLES-GFCCVEGCSA-N 0 3 314.414 2.313 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001392889508 1157516483 /nfs/dbraw/zinc/51/64/83/1157516483.db2.gz LUJVQGVMYIUHLA-JTQLQIEISA-N 0 3 309.772 2.377 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001403432782 1162880093 /nfs/dbraw/zinc/88/00/93/1162880093.db2.gz BWHULYJBRFVOCU-MGPQQGTHSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001393070733 1157655459 /nfs/dbraw/zinc/65/54/59/1157655459.db2.gz NCMYJLHGDMHBRG-UHFFFAOYSA-N 0 3 301.862 2.051 20 30 DEEDHN COc1cccc(CN(C)CCN(C)C(=O)[C@H](C)C#N)c1C ZINC001374473129 1157868437 /nfs/dbraw/zinc/86/84/37/1157868437.db2.gz XEQMBQFCBVOZDK-CYBMUJFWSA-N 0 3 303.406 2.054 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001393910342 1158061663 /nfs/dbraw/zinc/06/16/63/1158061663.db2.gz YABSGRFGSDZIIG-UHFFFAOYSA-N 0 3 322.840 2.144 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2nc(C)c[nH]2)CCCCC1 ZINC001394183054 1158354148 /nfs/dbraw/zinc/35/41/48/1158354148.db2.gz VZQDGRNTERQADO-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001394373606 1158442360 /nfs/dbraw/zinc/44/23/60/1158442360.db2.gz LEZKXVDKRLRANY-LERXQTSPSA-N 0 3 324.856 2.367 20 30 DEEDHN CC(C)(C)OCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001375414523 1158584405 /nfs/dbraw/zinc/58/44/05/1158584405.db2.gz YAJYIAWVMCHECT-UHFFFAOYSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC(C)(C)COC)C1 ZINC001375534761 1158805503 /nfs/dbraw/zinc/80/55/03/1158805503.db2.gz CKPZAFPZIXXFRP-JOCQHMNTSA-N 0 3 302.846 2.286 20 30 DEEDHN CC(C)(F)C(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001375705566 1158852385 /nfs/dbraw/zinc/85/23/85/1158852385.db2.gz ASRJGEOKUXOJQD-UHFFFAOYSA-N 0 3 321.371 2.430 20 30 DEEDHN CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001376286307 1159315968 /nfs/dbraw/zinc/31/59/68/1159315968.db2.gz FRSOZLXUMGBUPE-LPZVBRGNSA-N 0 3 320.824 2.423 20 30 DEEDHN C[C@@H](CCNC(=O)CCCF)NCc1cc(C#N)ccc1F ZINC001377059984 1159888844 /nfs/dbraw/zinc/88/88/44/1159888844.db2.gz QTIKVNZQLITQIS-LBPRGKRZSA-N 0 3 309.360 2.431 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccnc1OCC ZINC001377089010 1159896129 /nfs/dbraw/zinc/89/61/29/1159896129.db2.gz ABOUSAVZIDMSOW-GFCCVEGCSA-N 0 3 311.813 2.331 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001397636339 1160376093 /nfs/dbraw/zinc/37/60/93/1160376093.db2.gz UPYQKLTVTAZXCN-MGPQQGTHSA-N 0 3 302.846 2.284 20 30 DEEDHN N#Cc1ccc(F)c(CNCC2CC(NC(=O)CCCF)C2)c1 ZINC001377714696 1160776939 /nfs/dbraw/zinc/77/69/39/1160776939.db2.gz RYFYWNXTQABEQC-UHFFFAOYSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1=CCOCC1 ZINC001398223585 1160825892 /nfs/dbraw/zinc/82/58/92/1160825892.db2.gz XLQSBBCMHFFWBJ-DZGCQCFKSA-N 0 3 312.841 2.445 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)Cc1nsc2ccccc21 ZINC001492871111 1160858792 /nfs/dbraw/zinc/85/87/92/1160858792.db2.gz JEQOUJIFBFLAKD-UHFFFAOYSA-N 0 3 303.431 2.463 20 30 DEEDHN CCCN(C(=O)[C@@H](C)C#N)C1CCN(CCOC2CCC2)CC1 ZINC001398360100 1160864906 /nfs/dbraw/zinc/86/49/06/1160864906.db2.gz NTTIRFRTQKCVMV-HNNXBMFYSA-N 0 3 321.465 2.418 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378115308 1161030644 /nfs/dbraw/zinc/03/06/44/1161030644.db2.gz NKTXMOOQHDRPLV-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001399013346 1161189160 /nfs/dbraw/zinc/18/91/60/1161189160.db2.gz DRFKDIKNVCYBFC-UXIGCNINSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC001399314645 1161340939 /nfs/dbraw/zinc/34/09/39/1161340939.db2.gz HQPPFMUANWDGFW-KGLIPLIRSA-N 0 3 317.437 2.142 20 30 DEEDHN CCN(CCNC(=O)C(C)(C)COC)Cc1cccc(C#N)c1 ZINC001399731688 1161543199 /nfs/dbraw/zinc/54/31/99/1161543199.db2.gz PLPMPPQEPZUJJP-UHFFFAOYSA-N 0 3 317.433 2.169 20 30 DEEDHN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)[C@H]1CCCCN1C ZINC001401279417 1161913925 /nfs/dbraw/zinc/91/39/25/1161913925.db2.gz DLEUVSZQJOZSAH-HUUCEWRRSA-N 0 3 315.889 2.344 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001401588921 1162037948 /nfs/dbraw/zinc/03/79/48/1162037948.db2.gz XFVNBDMPFSSERL-XGNXJENSSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001401741405 1162102888 /nfs/dbraw/zinc/10/28/88/1162102888.db2.gz SMOXFWKTSVENQV-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1[nH]cnc1C ZINC001402040542 1162225400 /nfs/dbraw/zinc/22/54/00/1162225400.db2.gz LXQZKAOFXFCRQU-DGCLKSJQSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ncccn2)CCCC[C@@H]1C ZINC001405450208 1164097799 /nfs/dbraw/zinc/09/77/99/1164097799.db2.gz AHOUJBWBKJBXBR-BLLLJJGKSA-N 0 3 322.840 2.497 20 30 DEEDHN Cc1conc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001405717479 1164202158 /nfs/dbraw/zinc/20/21/58/1164202158.db2.gz QZHFOZBYUTXXCL-LBPRGKRZSA-N 0 3 312.373 2.010 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2(NCc3ccccn3)CCCC2)[nH]1 ZINC001405755930 1164222578 /nfs/dbraw/zinc/22/25/78/1164222578.db2.gz JEBIYHOURJBGLZ-UHFFFAOYSA-N 0 3 323.400 2.114 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CCOC)CC1 ZINC001408271266 1165555398 /nfs/dbraw/zinc/55/53/98/1165555398.db2.gz ANOZNWBGJBVTKA-UHFFFAOYSA-N 0 3 302.846 2.336 20 30 DEEDHN Cc1nc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001417804522 1167224837 /nfs/dbraw/zinc/22/48/37/1167224837.db2.gz PZWOOUYBWGYMHK-LEWSCRJBSA-N 0 3 320.462 2.294 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001417805413 1167225913 /nfs/dbraw/zinc/22/59/13/1167225913.db2.gz YVHXQHFUENQZHS-HXAJFIEFSA-N 0 3 304.221 2.340 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC1(C)C)NCc1ccc(C#N)c(F)c1 ZINC001418211335 1167493252 /nfs/dbraw/zinc/49/32/52/1167493252.db2.gz TVQNIIQPMPUNHW-BXUZGUMPSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)COC2CCCC2)C1 ZINC001418604817 1167839276 /nfs/dbraw/zinc/83/92/76/1167839276.db2.gz ABQVYIARLYJDHZ-BETUJISGSA-N 0 3 300.830 2.183 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001418657071 1167868694 /nfs/dbraw/zinc/86/86/94/1167868694.db2.gz BVXQXFHTJCTQCR-CJNGLKHVSA-N 0 3 317.458 2.248 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)COC2CCCC2)C1 ZINC001418666359 1167873014 /nfs/dbraw/zinc/87/30/14/1167873014.db2.gz ABQVYIARLYJDHZ-JOCQHMNTSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001418704743 1167897944 /nfs/dbraw/zinc/89/79/44/1167897944.db2.gz QAIGLDWAXFOUCL-YDHLFZDLSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001419100484 1168206167 /nfs/dbraw/zinc/20/61/67/1168206167.db2.gz AJTOEBUXBLDAQV-WMLDXEAASA-N 0 3 322.412 2.427 20 30 DEEDHN CC[C@H](CNC(=O)C[C@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001419190661 1168302711 /nfs/dbraw/zinc/30/27/11/1168302711.db2.gz ZRCMHBKSRVALLL-CHWSQXEVSA-N 0 3 321.446 2.173 20 30 DEEDHN CCc1noc(C)c1CNC[C@](C)(NC(=O)[C@H](C)C#N)C1CC1 ZINC001419332892 1168406716 /nfs/dbraw/zinc/40/67/16/1168406716.db2.gz HQKFGIBDEQJUQD-DIFFPNOSSA-N 0 3 318.421 2.080 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cscn1 ZINC001419653814 1168759038 /nfs/dbraw/zinc/75/90/38/1168759038.db2.gz GLKZMLQYSCBNGZ-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN CO[C@@H](C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001419700782 1168809216 /nfs/dbraw/zinc/80/92/16/1168809216.db2.gz BUKURJPWTLDCHQ-SWLSCSKDSA-N 0 3 323.462 2.227 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(NC(N)=O)c1 ZINC001420150777 1169199964 /nfs/dbraw/zinc/19/99/64/1169199964.db2.gz LKQAANWUEUYMAF-NSHDSACASA-N 0 3 324.812 2.028 20 30 DEEDHN Cc1nocc1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001420614008 1169829280 /nfs/dbraw/zinc/82/92/80/1169829280.db2.gz GQUJBIIIMXUKBF-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccc[nH]3)CC2)cc1F ZINC001420908560 1171336729 /nfs/dbraw/zinc/33/67/29/1171336729.db2.gz DTGIFHSXOCESPG-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cccnn2)CCCC[C@@H]1C ZINC001421582964 1171857778 /nfs/dbraw/zinc/85/77/78/1171857778.db2.gz ZQGAAZGCOSFTRA-LRDDRELGSA-N 0 3 322.840 2.497 20 30 DEEDHN CCC1(NCc2ncc(C)s2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001421942656 1172163794 /nfs/dbraw/zinc/16/37/94/1172163794.db2.gz SVYHNRCIPXSBNW-GFCCVEGCSA-N 0 3 320.462 2.472 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1CCC1CC1 ZINC001421954616 1172176901 /nfs/dbraw/zinc/17/69/01/1172176901.db2.gz QQHREVGRWXZURL-KBXCAEBGSA-N 0 3 311.429 2.489 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)C(C)C ZINC001422096622 1172301455 /nfs/dbraw/zinc/30/14/55/1172301455.db2.gz JKANWWGCGKNXQP-ZBFHGGJFSA-N 0 3 322.836 2.473 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnn(CC2CC2)c1)C(C)C ZINC001422121979 1172320920 /nfs/dbraw/zinc/32/09/20/1172320920.db2.gz YFCWPCFICPBHBM-HNNXBMFYSA-N 0 3 324.856 2.390 20 30 DEEDHN Cc1conc1C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001422389538 1172545400 /nfs/dbraw/zinc/54/54/00/1172545400.db2.gz BUWLAEXATIMTBX-GHMZBOCLSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[C@H]2CCCO2)C1 ZINC001422892098 1172898457 /nfs/dbraw/zinc/89/84/57/1172898457.db2.gz ZPMBZLONAABMIU-MGPQQGTHSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001422910966 1172923089 /nfs/dbraw/zinc/92/30/89/1172923089.db2.gz SSRANTNPSRIBOH-AULYBMBSSA-N 0 3 320.824 2.205 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)Cn1ccnc1C)C1CCCC1 ZINC001423531391 1173390290 /nfs/dbraw/zinc/39/02/90/1173390290.db2.gz AQZNDGUPIQVJRP-OAHLLOKOSA-N 0 3 324.856 2.209 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C(C)C)CCOCC1 ZINC001424434287 1173785611 /nfs/dbraw/zinc/78/56/11/1173785611.db2.gz SPYDQMZIIVFRLJ-ZDUSSCGKSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1CCOCC1 ZINC001424868164 1174000199 /nfs/dbraw/zinc/00/01/99/1174000199.db2.gz WMLUSFDZPVIRBX-UHFFFAOYSA-N 0 3 302.846 2.240 20 30 DEEDHN Cc1nc(C)c(CNC2CCC(N(C)C(=O)[C@H](C)C#N)CC2)o1 ZINC001424851212 1173988674 /nfs/dbraw/zinc/98/86/74/1173988674.db2.gz ILXGDACVKDLUIZ-VCANKDNSSA-N 0 3 318.421 2.310 20 30 DEEDHN Cc1cc(CN2CC([C@@H](C)NC(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001425226007 1174246305 /nfs/dbraw/zinc/24/63/05/1174246305.db2.gz BZXWNGLNNYWQNV-CMPLNLGQSA-N 0 3 305.447 2.461 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC001434456698 1178581730 /nfs/dbraw/zinc/58/17/30/1178581730.db2.gz GRTLOEQKNABICB-AEFFLSMTSA-N 0 3 308.385 2.261 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001437187105 1179529600 /nfs/dbraw/zinc/52/96/00/1179529600.db2.gz LCZLSPYERYOBTQ-FZMZJTMJSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H](C)SC ZINC001437361902 1179760943 /nfs/dbraw/zinc/76/09/43/1179760943.db2.gz DCHCHWLXZXGHEH-NXEZZACHSA-N 0 3 309.273 2.131 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)CC(C)(F)F ZINC001437406126 1179790964 /nfs/dbraw/zinc/79/09/64/1179790964.db2.gz YUDIZQYQOGCBQQ-VIFPVBQESA-N 0 3 313.186 2.425 20 30 DEEDHN COc1ccc(CN2CC[C@H](CNC(=O)C(C)C)C2)cc1C#N ZINC001437687959 1179890462 /nfs/dbraw/zinc/89/04/62/1179890462.db2.gz HZEUVONKKBDTDC-OAHLLOKOSA-N 0 3 315.417 2.161 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)C(C)(C)c1cnc[nH]1 ZINC001437764289 1179962578 /nfs/dbraw/zinc/96/25/78/1179962578.db2.gz NEIQGPNMBVHDLW-UHFFFAOYSA-N 0 3 312.845 2.268 20 30 DEEDHN C[C@@](C[NH2+]Cc1ccc(C#N)s1)([N-]C(=O)C(F)F)C1CC1 ZINC001438409060 1180396171 /nfs/dbraw/zinc/39/61/71/1180396171.db2.gz QKHVOGWHIUPZKJ-AWEZNQCLSA-N 0 3 313.373 2.259 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccnn1CC)C1CC1 ZINC001438416532 1180402210 /nfs/dbraw/zinc/40/22/10/1180402210.db2.gz VCHCNWNODZZWQE-OAHLLOKOSA-N 0 3 310.829 2.144 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001438475435 1180474007 /nfs/dbraw/zinc/47/40/07/1180474007.db2.gz KTTICKSKASFYCL-CHWSQXEVSA-N 0 3 305.447 2.152 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)C(C)C ZINC001438805012 1180817809 /nfs/dbraw/zinc/81/78/09/1180817809.db2.gz ABZNPQORZVMZNJ-IUODEOHRSA-N 0 3 324.856 2.313 20 30 DEEDHN C[C@H](CN(C)Cc1ccc2ncccc2c1)NC(=O)[C@@H](C)C#N ZINC001439315384 1181014100 /nfs/dbraw/zinc/01/41/00/1181014100.db2.gz ULTFFWBKFJNQAA-UONOGXRCSA-N 0 3 310.401 2.331 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001440427418 1181507643 /nfs/dbraw/zinc/50/76/43/1181507643.db2.gz MWZSYPOWMHIEOJ-CYBMUJFWSA-N 0 3 316.380 2.137 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)nc2)CCOCC1 ZINC001440568895 1181598102 /nfs/dbraw/zinc/59/81/02/1181598102.db2.gz KCSMWZOLZDVBPV-UHFFFAOYSA-N 0 3 323.824 2.011 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001440751604 1181674229 /nfs/dbraw/zinc/67/42/29/1181674229.db2.gz HGMLAOXKRBSOIW-DISOXQEGSA-N 0 3 319.836 2.422 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001441153685 1181873475 /nfs/dbraw/zinc/87/34/75/1181873475.db2.gz BERMOMRFBQXODU-NHYWBVRUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2ccccn2)CC1 ZINC001442261287 1182394094 /nfs/dbraw/zinc/39/40/94/1182394094.db2.gz UIWGMHKKEDXJIF-CYBMUJFWSA-N 0 3 307.825 2.350 20 30 DEEDHN C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)NCc1cc(C#N)ccc1F ZINC001442290191 1182407428 /nfs/dbraw/zinc/40/74/28/1182407428.db2.gz UIYBDEPAWUBBDF-LALPHHSUSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2nccn2C)CCCC1 ZINC001444076263 1183279205 /nfs/dbraw/zinc/27/92/05/1183279205.db2.gz QXWAMSKRSHAYON-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2cncn2C)CCCC1 ZINC001444089686 1183283395 /nfs/dbraw/zinc/28/33/95/1183283395.db2.gz QCMPCGYXZUGASY-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C[C@H](CNCc1nsc2ccccc12)CNC(=O)[C@@H](C)C#N ZINC001444314242 1183343564 /nfs/dbraw/zinc/34/35/64/1183343564.db2.gz XEZOOUHKQJATIB-NEPJUHHUSA-N 0 3 316.430 2.298 20 30 DEEDHN C#CCN(CC#C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001444553828 1183449638 /nfs/dbraw/zinc/44/96/38/1183449638.db2.gz NXIJGZDKEPSMQY-GOSISDBHSA-N 0 3 322.452 2.425 20 30 DEEDHN CC[C@@H](F)CNC[C@@H](CC(C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC001444746975 1183539977 /nfs/dbraw/zinc/53/99/77/1183539977.db2.gz JPUYICHTEXKHID-ZIAGYGMSSA-N 0 3 308.401 2.369 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](C)NC(=O)[C@H](C)C#N)cc1Cl ZINC001445691137 1183983591 /nfs/dbraw/zinc/98/35/91/1183983591.db2.gz TUVMQYLWVWCJGA-VXGBXAGGSA-N 0 3 323.824 2.445 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cscn1 ZINC001445710968 1184006268 /nfs/dbraw/zinc/00/62/68/1184006268.db2.gz WHOHBNCARSIXPV-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)NCc1ccccc1F ZINC001447859132 1184899237 /nfs/dbraw/zinc/89/92/37/1184899237.db2.gz VJKJEHPDSAAQAC-NWDGAFQWSA-N 0 3 314.364 2.322 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(CNCc2ccc(F)cn2)CCCCC1 ZINC001448219133 1185119167 /nfs/dbraw/zinc/11/91/67/1185119167.db2.gz CAYOOKXHSJQTRZ-ZDUSSCGKSA-N 0 3 318.396 2.289 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cncnc2C2CC2)C1 ZINC001448517269 1185269972 /nfs/dbraw/zinc/26/99/72/1185269972.db2.gz PZVJGQDVKRXFTR-AULYBMBSSA-N 0 3 320.824 2.205 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H](CNCc1cccc(F)c1F)C1CC1 ZINC001448576357 1185302485 /nfs/dbraw/zinc/30/24/85/1185302485.db2.gz XPTJXKPESZOZPQ-IAQYHMDHSA-N 0 3 321.371 2.451 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001331991809 1149804141 /nfs/dbraw/zinc/80/41/41/1149804141.db2.gz OSQHDLXGBNUYNL-DZGCQCFKSA-N 0 3 316.449 2.162 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(COC)CCCC2)[C@H]1C ZINC001332183135 1149831269 /nfs/dbraw/zinc/83/12/69/1149831269.db2.gz ASBRXUGNSYVCHH-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccnn3-c3ccccc3)C2)C1 ZINC001072857175 790275597 /nfs/dbraw/zinc/27/55/97/790275597.db2.gz NTBACHSOGGBNRF-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CCC)OC ZINC001099171532 782391092 /nfs/dbraw/zinc/39/10/92/782391092.db2.gz QYYXCGOKOPMUTI-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cn(C)c4ccccc34)C2)C1 ZINC001072929390 790308343 /nfs/dbraw/zinc/30/83/43/790308343.db2.gz HHJCRNCBJXWJFO-UHFFFAOYSA-N 0 3 323.440 2.441 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099220507 782668729 /nfs/dbraw/zinc/66/87/29/782668729.db2.gz OQBOFBCDIGEKAW-JKSUJKDBSA-N 0 3 308.466 2.288 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](CNCc2cc(C)no2)[C@H](C)C1 ZINC001106557618 782778813 /nfs/dbraw/zinc/77/88/13/782778813.db2.gz DUPBHEJQYWYDPY-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cn1nccc1C ZINC001099251512 782892996 /nfs/dbraw/zinc/89/29/96/782892996.db2.gz KTSBQQOLMPKPJS-INIZCTEOSA-N 0 3 318.465 2.374 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C[C@H]1C ZINC000947353358 783085960 /nfs/dbraw/zinc/08/59/60/783085960.db2.gz VVSMQNFRSATHKC-ZYHUDNBSSA-N 0 3 312.364 2.355 20 30 DEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1COC)C2 ZINC001111269064 783100684 /nfs/dbraw/zinc/10/06/84/783100684.db2.gz OHNWBHGCQHPHSS-XPKDYRNWSA-N 0 3 319.405 2.122 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC(C)(C)C1 ZINC001089449381 783115206 /nfs/dbraw/zinc/11/52/06/783115206.db2.gz VWSJUVBQJJWASC-BBWFWOEESA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(CCC)n[nH]2)CC(C)(C)C1 ZINC001089455880 783121755 /nfs/dbraw/zinc/12/17/55/783121755.db2.gz ARFCBBMODUDHFV-OAHLLOKOSA-N 0 3 316.449 2.216 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2conc2C(C)C)C[C@@H]1C ZINC000947385971 783123465 /nfs/dbraw/zinc/12/34/65/783123465.db2.gz BQFYESYDWPZMAR-KBPBESRZSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncoc2C(F)(F)F)C[C@@H]1C ZINC000947463371 783142634 /nfs/dbraw/zinc/14/26/34/783142634.db2.gz GHOCBOJTWOXWDK-UWVGGRQHSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(COC)c2)C[C@H]1C ZINC000947510706 783157517 /nfs/dbraw/zinc/15/75/17/783157517.db2.gz MLDLIPWGDYTLLN-CRAIPNDOSA-N 0 3 314.429 2.439 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)c(C)nc2C)C[C@@H]1C ZINC000947523299 783160367 /nfs/dbraw/zinc/16/03/67/783160367.db2.gz AINQKWFUFSQRNK-XHDPSFHLSA-N 0 3 302.422 2.171 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2conc2C(F)(F)F)C[C@H]1C ZINC000947547227 783169802 /nfs/dbraw/zinc/16/98/02/783169802.db2.gz PDEFKMHFNHKRKT-NXEZZACHSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)C[C@H]1C ZINC000947555339 783173025 /nfs/dbraw/zinc/17/30/25/783173025.db2.gz JNHIZKBNYMPEJY-DOMZBBRYSA-N 0 3 315.417 2.466 20 30 DEEDHN CC[C@@H](C(=O)NCC[C@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001099349999 783180441 /nfs/dbraw/zinc/18/04/41/783180441.db2.gz QEYPSKIAJFIQLB-LRDDRELGSA-N 0 3 320.412 2.344 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3ncccc32)C[C@H]1C ZINC000947592535 783184158 /nfs/dbraw/zinc/18/41/58/783184158.db2.gz ACMAFNMTUOCJFL-CABCVRRESA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c(F)cccc2F)C[C@@H]1C ZINC000947652962 783198531 /nfs/dbraw/zinc/19/85/31/783198531.db2.gz GMFXZRYMEFTLFE-STQMWFEESA-N 0 3 306.356 2.110 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnnc3ccccc32)C[C@H]1C ZINC000947750321 783221610 /nfs/dbraw/zinc/22/16/10/783221610.db2.gz NZMVGFDAPTUASP-ZIAGYGMSSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C ZINC000947758298 783224858 /nfs/dbraw/zinc/22/48/58/783224858.db2.gz LGCUOKCKBJWNKW-AAEUAGOBSA-N 0 3 314.389 2.037 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)ncc2Cl)C[C@@H]1C ZINC000947779209 783230619 /nfs/dbraw/zinc/23/06/19/783230619.db2.gz OBXPQRDCVPLUAZ-AAEUAGOBSA-N 0 3 320.824 2.044 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)C[C@@H]1C ZINC000947784005 783230959 /nfs/dbraw/zinc/23/09/59/783230959.db2.gz QXEQTKCBLVHEDV-WCQYABFASA-N 0 3 322.478 2.286 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC001073016449 790385827 /nfs/dbraw/zinc/38/58/27/790385827.db2.gz ZCLCFYRATNMQBE-UHFFFAOYSA-N 0 3 307.397 2.339 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001090620928 790404316 /nfs/dbraw/zinc/40/43/16/790404316.db2.gz OKLGZIHCKUDVEY-RYUDHWBXSA-N 0 3 314.838 2.143 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)[C@H](O)C1 ZINC001090634865 790409904 /nfs/dbraw/zinc/40/99/04/790409904.db2.gz YIGAHNLWGOBVOH-DLBZAZTESA-N 0 3 320.477 2.168 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)C1 ZINC001073041511 790412294 /nfs/dbraw/zinc/41/22/94/790412294.db2.gz MTGMPELNVIAEPB-IPMKNSEASA-N 0 3 320.436 2.130 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1C)c1ccccc1 ZINC001211495648 776579643 /nfs/dbraw/zinc/57/96/43/776579643.db2.gz RNUISWJYRVJTKU-BPQIPLTHSA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCCCCN1CCN(c2ncccc2C(=O)N(C)C)CC1 ZINC001209206914 776678154 /nfs/dbraw/zinc/67/81/54/776678154.db2.gz CTSUZCIWNMXGKM-UHFFFAOYSA-N 0 3 316.449 2.262 20 30 DEEDHN CN1CC[C@H](Nc2nc(C#N)c(C#N)nc2-c2ccccc2)C1 ZINC001167275711 776819541 /nfs/dbraw/zinc/81/95/41/776819541.db2.gz VHPSUYGBUXSOFZ-ZDUSSCGKSA-N 0 3 304.357 2.003 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H](O)C1 ZINC001090755509 790490809 /nfs/dbraw/zinc/49/08/09/790490809.db2.gz VJPOPLZMJZGESI-OALUTQOASA-N 0 3 322.408 2.028 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](O)C1 ZINC001090771510 790511209 /nfs/dbraw/zinc/51/12/09/790511209.db2.gz UAYUDAHPYKMYKX-JKSUJKDBSA-N 0 3 322.836 2.010 20 30 DEEDHN N#Cc1ccc(COC(=O)C2CCCN(C3CC3)C2=O)s1 ZINC001333536761 1150061440 /nfs/dbraw/zinc/06/14/40/1150061440.db2.gz UNXBYKSOPFQAST-CYBMUJFWSA-N 0 3 304.371 2.064 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1c1ccccc1 ZINC001211554893 777382545 /nfs/dbraw/zinc/38/25/45/777382545.db2.gz HYHDNCGJNJEMQM-RBUKOAKNSA-N 0 3 324.424 2.288 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1c1ccccc1 ZINC001211555314 777385136 /nfs/dbraw/zinc/38/51/36/777385136.db2.gz QDTOIXRCRCLVBU-RYQLBKOJSA-N 0 3 314.429 2.019 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1c1ccccc1 ZINC001211555313 777385462 /nfs/dbraw/zinc/38/54/62/777385462.db2.gz QDTOIXRCRCLVBU-BPQIPLTHSA-N 0 3 314.429 2.019 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCN(C(=O)CCCC)C1 ZINC001207373277 777525892 /nfs/dbraw/zinc/52/58/92/777525892.db2.gz HGIHJGXLOIJBRV-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)/C=C/C1CC1)C[C@H](C)O2 ZINC001098577161 777534533 /nfs/dbraw/zinc/53/45/33/777534533.db2.gz BIHHSYNVLUEGIN-LFAOLKIESA-N 0 3 304.434 2.221 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100645036 777567847 /nfs/dbraw/zinc/56/78/47/777567847.db2.gz QWMKACKCWHZLKN-KVULBXGLSA-N 0 3 304.438 2.007 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccccn1 ZINC001087269596 777673163 /nfs/dbraw/zinc/67/31/63/777673163.db2.gz MJPYSFKNHSKTGJ-HYVNUMGLSA-N 0 3 311.429 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3scnc3C)C(C)(C)[C@H]21 ZINC001087275135 777689687 /nfs/dbraw/zinc/68/96/87/777689687.db2.gz BGUJJXJCBOJILP-YUELXQCFSA-N 0 3 317.458 2.304 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3coc(C)c3)C(C)(C)[C@H]21 ZINC001087283000 777717497 /nfs/dbraw/zinc/71/74/97/777717497.db2.gz IDNOMRVBNHSHBA-OAGGEKHMSA-N 0 3 300.402 2.440 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccns3)C(C)(C)[C@@H]21 ZINC001087288535 777732685 /nfs/dbraw/zinc/73/26/85/777732685.db2.gz YVMFKGNYJHAXNY-BPLDGKMQSA-N 0 3 317.458 2.385 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cocc1C ZINC001087299015 777747614 /nfs/dbraw/zinc/74/76/14/777747614.db2.gz OROQWMZSQLAUFS-VNQPRFMTSA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC2(CC2)C1 ZINC001087302992 777754657 /nfs/dbraw/zinc/75/46/57/777754657.db2.gz DTDZHNPWXLPZIO-OWCLPIDISA-N 0 3 300.446 2.415 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3occc3C)C(C)(C)[C@@H]21 ZINC001087303631 777755266 /nfs/dbraw/zinc/75/52/66/777755266.db2.gz PIPYHJFTMAFVBA-ZTFGCOKTSA-N 0 3 314.429 2.369 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1c1ccccc1 ZINC001211637227 777795792 /nfs/dbraw/zinc/79/57/92/777795792.db2.gz KZRVUWZQBGIAOP-CWRNSKLLSA-N 0 3 320.383 2.495 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1C(F)(F)F ZINC001112040006 778120152 /nfs/dbraw/zinc/12/01/52/778120152.db2.gz QJRDDNPZEMGTCN-VXGBXAGGSA-N 0 3 314.307 2.204 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCCOC)C[C@H]1C(F)(F)F ZINC001112065661 778269661 /nfs/dbraw/zinc/26/96/61/778269661.db2.gz KGSHQKRLTPGDSV-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)OCCCC)C[C@H]1C(F)(F)F ZINC001112066035 778270362 /nfs/dbraw/zinc/27/03/62/778270362.db2.gz YIDQMKOXDSCRKH-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccc(OC)cc1 ZINC001090860045 790607447 /nfs/dbraw/zinc/60/74/47/790607447.db2.gz PNKZTBGTCDUHNG-DLBZAZTESA-N 0 3 324.380 2.119 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3ccc(OC)cc3)C2)C1 ZINC001073408915 790641751 /nfs/dbraw/zinc/64/17/51/790641751.db2.gz PLNCDGBUCRSPQW-UHFFFAOYSA-N 0 3 314.429 2.348 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(N(C)C)c(F)c3)C2)C1 ZINC001073462196 790671075 /nfs/dbraw/zinc/67/10/75/790671075.db2.gz OAUKPCNACNSPNZ-UHFFFAOYSA-N 0 3 317.408 2.226 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CC4CCC3CC4)C2)C1 ZINC001073465749 790673032 /nfs/dbraw/zinc/67/30/32/790673032.db2.gz LPIGZSMOLJZHSJ-JCYILVPMSA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@H]1CC ZINC001087570752 779357095 /nfs/dbraw/zinc/35/70/95/779357095.db2.gz JKXCTELOAGFVQE-DZGCQCFKSA-N 0 3 304.438 2.377 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3[nH]c(C)nc3c2)[C@H]1CC ZINC001087597411 779371346 /nfs/dbraw/zinc/37/13/46/779371346.db2.gz GCWMHWRFNKZWGP-DZGCQCFKSA-N 0 3 313.405 2.035 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3n2)[C@H]1CC ZINC001087602890 779373979 /nfs/dbraw/zinc/37/39/79/779373979.db2.gz MHKUFEDCQVZFDF-DOTOQJQBSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3n[nH]cc3c2)[C@H]1CC ZINC001087618537 779380395 /nfs/dbraw/zinc/38/03/95/779380395.db2.gz AKVJRFXWWJUCBK-LSDHHAIUSA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nnc2CC)[C@H]1CC ZINC001087630956 779385829 /nfs/dbraw/zinc/38/58/29/779385829.db2.gz DXGCIAKYOTYXNB-JKSUJKDBSA-N 0 3 302.422 2.116 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3ccccc3O2)[C@H]1CC ZINC001087647385 779395505 /nfs/dbraw/zinc/39/55/05/779395505.db2.gz SMSADSUPBHDMCH-ZMSDIMECSA-N 0 3 300.402 2.145 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc(Cl)n2C)[C@H]1CC ZINC001087658216 779398703 /nfs/dbraw/zinc/39/87/03/779398703.db2.gz SEROMVKAVPEGQQ-NWDGAFQWSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nncc3ccccc32)[C@H]1CC ZINC001087653159 779398951 /nfs/dbraw/zinc/39/89/51/779398951.db2.gz HPQNAMRQPFHHFZ-JKSUJKDBSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1CC ZINC001087678451 779405958 /nfs/dbraw/zinc/40/59/58/779405958.db2.gz NNRKPRIJVKVRJZ-LSDHHAIUSA-N 0 3 315.417 2.010 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3n2CCCC3)[C@H]1CC ZINC001087699388 779414814 /nfs/dbraw/zinc/41/48/14/779414814.db2.gz RDYHWVZIAFBBMP-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)[C@H]1CC ZINC001087737129 779428021 /nfs/dbraw/zinc/42/80/21/779428021.db2.gz FQOVVIILCSCAJX-SWLSCSKDSA-N 0 3 314.389 2.438 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@H]1CC ZINC001087785266 779452305 /nfs/dbraw/zinc/45/23/05/779452305.db2.gz ZQYLCNJDAYDUSH-DOTOQJQBSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2OC)[C@H]1CC ZINC001087808570 779460975 /nfs/dbraw/zinc/46/09/75/779460975.db2.gz XXMUELTXYXQPCM-JKSUJKDBSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(COC)s2)[C@H]1CC ZINC001087849831 779486137 /nfs/dbraw/zinc/48/61/37/779486137.db2.gz XJXINKLSKQNOGT-QWHCGFSZSA-N 0 3 323.462 2.448 20 30 DEEDHN CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938899 779560121 /nfs/dbraw/zinc/56/01/21/779560121.db2.gz PIFFEOJZLMGIFK-HZSPNIEDSA-N 0 3 318.396 2.028 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001087997203 779623302 /nfs/dbraw/zinc/62/33/02/779623302.db2.gz QVMUYDBRUQVIMP-MOPGFXCFSA-N 0 3 322.452 2.423 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(F)c(C)cc3F)C[C@@H]2C1 ZINC001088003221 779627168 /nfs/dbraw/zinc/62/71/68/779627168.db2.gz PEOHVPBVFIRLIA-KGLIPLIRSA-N 0 3 318.367 2.300 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)c3cccs3)C[C@@H]2C1 ZINC001088063953 779664445 /nfs/dbraw/zinc/66/44/45/779664445.db2.gz DRKDIUPGAMBTCK-CABCVRRESA-N 0 3 316.470 2.439 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@@H]2C1 ZINC001088118732 779712338 /nfs/dbraw/zinc/71/23/38/779712338.db2.gz OXZRAMZWNRENJC-QUCCMNQESA-N 0 3 322.452 2.205 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001088137877 779722617 /nfs/dbraw/zinc/72/26/17/779722617.db2.gz ICMPDIYCULSROK-APWZRJJASA-N 0 3 324.424 2.134 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4ccn(C)c4c3)C[C@@H]2C1 ZINC001088160892 779736692 /nfs/dbraw/zinc/73/66/92/779736692.db2.gz SHEAKHUPKRLEIY-MSOLQXFVSA-N 0 3 321.424 2.205 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001073593326 790731340 /nfs/dbraw/zinc/73/13/40/790731340.db2.gz LWYTYQCXQGTQAE-HNNXBMFYSA-N 0 3 306.406 2.293 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(CC)c(CC)o3)C[C@@H]2C1 ZINC001088172664 779754189 /nfs/dbraw/zinc/75/41/89/779754189.db2.gz YBFWPFRNLPXTFR-CVEARBPZSA-N 0 3 314.429 2.432 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCc3cccs3)C[C@@H]2C1 ZINC001088195630 779768269 /nfs/dbraw/zinc/76/82/69/779768269.db2.gz OOLBCUSCHQNXRT-CABCVRRESA-N 0 3 302.443 2.094 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cnc(C(C)C)s3)C[C@@H]2C1 ZINC001088224943 779781087 /nfs/dbraw/zinc/78/10/87/779781087.db2.gz WFJHWVWAKFOWJV-KGLIPLIRSA-N 0 3 317.458 2.294 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2cnoc2)C1 ZINC001088367065 780028624 /nfs/dbraw/zinc/02/86/24/780028624.db2.gz ATNNVTQPFPBKQD-AWEZNQCLSA-N 0 3 311.813 2.330 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](NCc2cccnc2)[C@@H]1C ZINC000986361548 780254735 /nfs/dbraw/zinc/25/47/35/780254735.db2.gz CJAMXXFTQSAHQA-DOTOQJQBSA-N 0 3 324.428 2.462 20 30 DEEDHN C=CCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001075884856 780352321 /nfs/dbraw/zinc/35/23/21/780352321.db2.gz RZVZLTXWBYBCIL-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nccc4cccnc43)[C@@H]2C1 ZINC001075896817 780451142 /nfs/dbraw/zinc/45/11/42/780451142.db2.gz ZGFVRUFQBBHRLX-JKSUJKDBSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1OC ZINC001211994591 780574397 /nfs/dbraw/zinc/57/43/97/780574397.db2.gz DURAEWFPOCTDLX-JQMAPKMSSA-N 0 3 324.465 2.139 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC(C)C)nc2)[C@H]1C ZINC001088605862 780576976 /nfs/dbraw/zinc/57/69/76/780576976.db2.gz MJWRPAFZVZOHDM-ZBFHGGJFSA-N 0 3 315.417 2.085 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCc2cccs2)C[C@H]1OC ZINC001212022390 780589972 /nfs/dbraw/zinc/58/99/72/780589972.db2.gz OHPSOWDXPWTVQW-HUUCEWRRSA-N 0 3 308.447 2.072 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001212081054 780630227 /nfs/dbraw/zinc/63/02/27/780630227.db2.gz GTICSBSQHKQDAQ-HUUCEWRRSA-N 0 3 308.447 2.452 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2conc2CC)C1 ZINC001100259789 790811036 /nfs/dbraw/zinc/81/10/36/790811036.db2.gz UPRBPXYTPKTZBM-UHFFFAOYSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(N(C)C)cc2F)[C@H]1C ZINC001088621163 780657846 /nfs/dbraw/zinc/65/78/46/780657846.db2.gz SQTSUXFPDVBERJ-DYVFJYSZSA-N 0 3 317.408 2.108 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)[C@H]1C ZINC001088629885 780666198 /nfs/dbraw/zinc/66/61/98/780666198.db2.gz XINPPFLSQLAJJM-YPMHNXCESA-N 0 3 314.389 2.037 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)[C@H]1C ZINC001088643054 780673574 /nfs/dbraw/zinc/67/35/74/780673574.db2.gz NHYHARXTBFLTFC-PBHICJAKSA-N 0 3 314.429 2.319 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)[C@H]1C ZINC001088751779 780938601 /nfs/dbraw/zinc/93/86/01/780938601.db2.gz FJVMSEUWFCHYRE-BVGQSLNGSA-N 0 3 314.404 2.458 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001073745837 790840821 /nfs/dbraw/zinc/84/08/21/790840821.db2.gz JKGAEJYZBFXCAE-OAHLLOKOSA-N 0 3 316.401 2.001 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)[C@H]1C ZINC001088812485 781028930 /nfs/dbraw/zinc/02/89/30/781028930.db2.gz GTYAHFGPKKVECY-ZBFHGGJFSA-N 0 3 317.433 2.102 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(OC)c(F)c3)[C@@H]2C1 ZINC001076007111 781062129 /nfs/dbraw/zinc/06/21/29/781062129.db2.gz HVLVXBWJPDLDBZ-GOEBONIOSA-N 0 3 318.392 2.096 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc4cnccc4c3)[C@@H]2C1 ZINC001076032106 781085648 /nfs/dbraw/zinc/08/56/48/781085648.db2.gz JIGBAMKDKMUROY-RBUKOAKNSA-N 0 3 321.424 2.496 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc([C@H](C)CC)no3)[C@@H]2C1 ZINC001076337854 781219454 /nfs/dbraw/zinc/21/94/54/781219454.db2.gz RIDLRKRUKAXOHL-IJEWVQPXSA-N 0 3 315.417 2.358 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)[C@@H]2C1 ZINC001076329338 781220455 /nfs/dbraw/zinc/22/04/55/781220455.db2.gz JOWSMMRJDSSSNV-GOEBONIOSA-N 0 3 312.417 2.076 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001076463499 781275664 /nfs/dbraw/zinc/27/56/64/781275664.db2.gz STFHWDZFMSJITI-DZGCQCFKSA-N 0 3 306.431 2.236 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001083564253 781491952 /nfs/dbraw/zinc/49/19/52/781491952.db2.gz UDYWHECQYPYKAW-ZACQAIPSSA-N 0 3 306.450 2.250 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@@H](F)C2)ccc1F ZINC001126961420 781500435 /nfs/dbraw/zinc/50/04/35/781500435.db2.gz WGJRPXNNCZSNHJ-UKRRQHHQSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001077148295 781501634 /nfs/dbraw/zinc/50/16/34/781501634.db2.gz HVQIRDYKCNYZIY-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001077218271 781520057 /nfs/dbraw/zinc/52/00/57/781520057.db2.gz UDYWHECQYPYKAW-BRWVUGGUSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001083648552 781695805 /nfs/dbraw/zinc/69/58/05/781695805.db2.gz GFAIXHWZNJCOPS-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(F)cn2)[C@H](OC)C1 ZINC001212146815 781744831 /nfs/dbraw/zinc/74/48/31/781744831.db2.gz ZGZMPJSOQMIOFT-DAXOMENPSA-N 0 3 321.396 2.004 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001060262838 781751187 /nfs/dbraw/zinc/75/11/87/781751187.db2.gz DMVJIEMZGSSSCY-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2=CCOCC2)[C@H](OC)C1 ZINC001212161379 781788118 /nfs/dbraw/zinc/78/81/18/781788118.db2.gz WBZSPHUQRHPFCM-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001091113846 790911911 /nfs/dbraw/zinc/91/19/11/790911911.db2.gz QUGMZZCRAVFUJE-UHFFFAOYSA-N 0 3 310.829 2.384 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@@H]1C ZINC000947886049 783257470 /nfs/dbraw/zinc/25/74/70/783257470.db2.gz FUTGDRPMFMQPNC-WMLDXEAASA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnoc2C2CC2)C[C@@H]1C ZINC000947887442 783259230 /nfs/dbraw/zinc/25/92/30/783259230.db2.gz WJELRZKARXFHMN-GXTWGEPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C[C@@H]1C ZINC000947899057 783261419 /nfs/dbraw/zinc/26/14/19/783261419.db2.gz DIDRVFHKYMKDCT-YOEHRIQHSA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C[C@H]1C ZINC000947895596 783261559 /nfs/dbraw/zinc/26/15/59/783261559.db2.gz PAEUSPCVINHEIK-HIFRSBDPSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)C[C@H]1C ZINC000947903252 783264105 /nfs/dbraw/zinc/26/41/05/783264105.db2.gz FVPJPHFXOSQCRE-CJNGLKHVSA-N 0 3 302.422 2.062 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ocnc1C ZINC001089620670 783287262 /nfs/dbraw/zinc/28/72/62/783287262.db2.gz CDHHAWUPKROVIY-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000948025043 783295417 /nfs/dbraw/zinc/29/54/17/783295417.db2.gz AWPMRMLKDJYVNK-HNAYVOBHSA-N 0 3 310.441 2.320 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001089630710 783298086 /nfs/dbraw/zinc/29/80/86/783298086.db2.gz UVZCQHWHGWUEJG-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)C[C@@H]1C ZINC000948036180 783299359 /nfs/dbraw/zinc/29/93/59/783299359.db2.gz OVYGRZZSDWZOPY-DOTOQJQBSA-N 0 3 309.413 2.244 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)C[C@@H]1C ZINC000948045265 783301761 /nfs/dbraw/zinc/30/17/61/783301761.db2.gz YAEWURPNRIZIEZ-UONOGXRCSA-N 0 3 316.449 2.447 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c[nH]c3ncccc23)C[C@H]1C ZINC000948078050 783313378 /nfs/dbraw/zinc/31/33/78/783313378.db2.gz HIXIFHCSGQKKDP-ZBFHGGJFSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001073876934 790933897 /nfs/dbraw/zinc/93/38/97/790933897.db2.gz QJFVEGILXHLOKM-GOSISDBHSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnoc1CC ZINC001089706349 783368972 /nfs/dbraw/zinc/36/89/72/783368972.db2.gz RBBQOTZQZYHQOA-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089776871 783425788 /nfs/dbraw/zinc/42/57/88/783425788.db2.gz HTOCRALCXRJOCY-ORQFMDKSSA-N 0 3 312.413 2.361 20 30 DEEDHN C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089776871 783425794 /nfs/dbraw/zinc/42/57/94/783425794.db2.gz HTOCRALCXRJOCY-ORQFMDKSSA-N 0 3 312.413 2.361 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(OC)ns2)CC1 ZINC000948384326 783446664 /nfs/dbraw/zinc/44/66/64/783446664.db2.gz AUSGQVVGSATJFS-ZDUSSCGKSA-N 0 3 321.446 2.102 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000948389014 783448781 /nfs/dbraw/zinc/44/87/81/783448781.db2.gz NJPXVJMVLNNCML-AWEZNQCLSA-N 0 3 316.449 2.267 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC000948452644 783472360 /nfs/dbraw/zinc/47/23/60/783472360.db2.gz OMLVKPMCUJWKKL-IKGGRYGDSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001073906090 790950472 /nfs/dbraw/zinc/95/04/72/790950472.db2.gz SQGJMVQBTQGLQO-UCIFAOBLSA-N 0 3 318.461 2.062 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001066242913 783638168 /nfs/dbraw/zinc/63/81/68/783638168.db2.gz MGHYZKOVQWKFSD-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC000966387845 783649657 /nfs/dbraw/zinc/64/96/57/783649657.db2.gz PFCPAKYBGBFFRK-GOEBONIOSA-N 0 3 316.449 2.102 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]cnc1CC ZINC001085408397 783672772 /nfs/dbraw/zinc/67/27/72/783672772.db2.gz ZQWTYDJBVNYWSS-CHWSQXEVSA-N 0 3 310.829 2.355 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)N(C)CC)CC1 ZINC001066275753 783822172 /nfs/dbraw/zinc/82/21/72/783822172.db2.gz PTIGSHKULBMGOZ-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC001085591498 783857436 /nfs/dbraw/zinc/85/74/36/783857436.db2.gz LLDRCSWPGHMHDJ-AWEZNQCLSA-N 0 3 304.438 2.266 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC000967063522 783874308 /nfs/dbraw/zinc/87/43/08/783874308.db2.gz RUQIWNXSWOQDDJ-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001085626690 783909334 /nfs/dbraw/zinc/90/93/34/783909334.db2.gz QXPDDDATTXVAPZ-CQSZACIVSA-N 0 3 304.438 2.361 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncnc2ccsc21 ZINC001085634114 783911447 /nfs/dbraw/zinc/91/14/47/783911447.db2.gz IPKUZVVUZJEIEK-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279631 783927087 /nfs/dbraw/zinc/92/70/87/783927087.db2.gz OPBGAHZEEWDBOP-WBVHZDCISA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085673654 783956441 /nfs/dbraw/zinc/95/64/41/783956441.db2.gz BILJSAFJMKXZDZ-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccc3nccn32)C1 ZINC000967358591 783963950 /nfs/dbraw/zinc/96/39/50/783963950.db2.gz SMHUNSHKZLJJEY-LSDHHAIUSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC000967358297 783964568 /nfs/dbraw/zinc/96/45/68/783964568.db2.gz QWBDCNWUTNDEGX-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CC[C@H]1CN(C)C(=O)c1[nH]nc2ccc(C)cc21 ZINC001085696017 783974868 /nfs/dbraw/zinc/97/48/68/783974868.db2.gz XVKPSIQWXBUPFE-AWEZNQCLSA-N 0 3 310.401 2.041 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1occc1CN(C)C ZINC001085788027 784081625 /nfs/dbraw/zinc/08/16/25/784081625.db2.gz CMDOSULHDWUGMX-OAHLLOKOSA-N 0 3 305.422 2.064 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001085869402 784162930 /nfs/dbraw/zinc/16/29/30/784162930.db2.gz POMZJPKIDHKLME-IKGGRYGDSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001085902149 784193218 /nfs/dbraw/zinc/19/32/18/784193218.db2.gz VSUSHUPEWZLIEM-UONOGXRCSA-N 0 3 316.449 2.257 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2nsnc21 ZINC001085902464 784193796 /nfs/dbraw/zinc/19/37/96/784193796.db2.gz DEVIBXFMKMJHRW-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967993455 784197746 /nfs/dbraw/zinc/19/77/46/784197746.db2.gz KBZVHAFOZUKLRU-PBHICJAKSA-N 0 3 301.434 2.280 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C(F)F ZINC001085918731 784214786 /nfs/dbraw/zinc/21/47/86/784214786.db2.gz LIBIGOWYWHDRIP-LLVKDONJSA-N 0 3 312.364 2.080 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000968107808 784229951 /nfs/dbraw/zinc/22/99/51/784229951.db2.gz PDAGCZTWIPBTSX-DYVFJYSZSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001085963111 784259228 /nfs/dbraw/zinc/25/92/28/784259228.db2.gz YJYAHJBQYDTUPZ-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CN(CC=C(C)C)CC[C@@H]2C)c1 ZINC000968316412 784282395 /nfs/dbraw/zinc/28/23/95/784282395.db2.gz FEXDXVZZEXTGLD-YJBOKZPZSA-N 0 3 311.429 2.469 20 30 DEEDHN C[C@@H](C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1)C1CC1 ZINC000968330334 784292329 /nfs/dbraw/zinc/29/23/29/784292329.db2.gz XNRMKVSBOSDYEH-DGCLKSJQSA-N 0 3 303.431 2.356 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc(C(C)(C)C)nc1 ZINC001086002628 784306678 /nfs/dbraw/zinc/30/66/78/784306678.db2.gz NKXNBTIAYTXNSI-HNNXBMFYSA-N 0 3 316.449 2.497 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC000968349886 784313389 /nfs/dbraw/zinc/31/33/89/784313389.db2.gz QCGAAGCHDWBURH-PBHICJAKSA-N 0 3 312.413 2.085 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC000968394976 784355211 /nfs/dbraw/zinc/35/52/11/784355211.db2.gz HNWXGCABXSQLRA-RISCZKNCSA-N 0 3 322.840 2.455 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000968474955 784406203 /nfs/dbraw/zinc/40/62/03/784406203.db2.gz DIYQIJKUFXWRJF-FZKQIMNGSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC000968480468 784410490 /nfs/dbraw/zinc/41/04/90/784410490.db2.gz MKAZJFLUUFGUFO-DOTOQJQBSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC001086104523 784411689 /nfs/dbraw/zinc/41/16/89/784411689.db2.gz IYODTOGYUMDBID-LJISPDSOSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000968543578 784455650 /nfs/dbraw/zinc/45/56/50/784455650.db2.gz CPFXEZIHXPKIPX-ZIAGYGMSSA-N 0 3 304.438 2.090 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000968588019 784481529 /nfs/dbraw/zinc/48/15/29/784481529.db2.gz JISOPUMGSWNHKQ-MAUKXSAKSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968605682 784496809 /nfs/dbraw/zinc/49/68/09/784496809.db2.gz CBNDDWHYGFZKBD-BLLLJJGKSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC000968633177 784512286 /nfs/dbraw/zinc/51/22/86/784512286.db2.gz VXJBBSAAEWWRET-SUMWQHHRSA-N 0 3 301.434 2.105 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968664639 784528758 /nfs/dbraw/zinc/52/87/58/784528758.db2.gz HXHYWZNVIKZZRY-WMZOPIPTSA-N 0 3 323.440 2.491 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC000968713384 784553657 /nfs/dbraw/zinc/55/36/57/784553657.db2.gz OMGCVDOJAWLIDV-RHSMWYFYSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC000968869712 784629609 /nfs/dbraw/zinc/62/96/09/784629609.db2.gz XZTLCACIXKFJHI-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC000968874142 784631243 /nfs/dbraw/zinc/63/12/43/784631243.db2.gz IRBCAJHQAGILSU-CQSZACIVSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001086384922 784640620 /nfs/dbraw/zinc/64/06/20/784640620.db2.gz IYODTOGYUMDBID-TUVASFSCSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC000968936333 784659764 /nfs/dbraw/zinc/65/97/64/784659764.db2.gz DULSTFZMHJYOAD-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCn1cc(C(=O)NC[C@@H]2CCCCCN2CC(=C)C)nn1 ZINC000969061939 784710545 /nfs/dbraw/zinc/71/05/45/784710545.db2.gz HIXIJQYRLRLJBF-HNNXBMFYSA-N 0 3 317.437 2.015 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C(C)C)nn2C)C1 ZINC001086523436 784857009 /nfs/dbraw/zinc/85/70/09/784857009.db2.gz PMBOWYHESYYECK-JOCQHMNTSA-N 0 3 324.856 2.394 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001007338053 784893557 /nfs/dbraw/zinc/89/35/57/784893557.db2.gz PPVZUZGLWJVJHF-AWEZNQCLSA-N 0 3 318.421 2.034 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001007350051 784897805 /nfs/dbraw/zinc/89/78/05/784897805.db2.gz DZBJANIGLPPXJI-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001086527304 784910024 /nfs/dbraw/zinc/91/00/24/784910024.db2.gz OPQFIYJXAWSKMJ-ZQDZILKHSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001007472513 784929127 /nfs/dbraw/zinc/92/91/27/784929127.db2.gz BDTVZLBWZMRYCL-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001007475873 784930926 /nfs/dbraw/zinc/93/09/26/784930926.db2.gz YAPADQZRAZPVEB-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cc(F)ccc1OC ZINC001168943437 784975764 /nfs/dbraw/zinc/97/57/64/784975764.db2.gz YAXINYXDZUTJMJ-UHFFFAOYSA-N 0 3 314.788 2.225 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)nn(CC)c2C)C1 ZINC001091285890 791082956 /nfs/dbraw/zinc/08/29/56/791082956.db2.gz CQNXJIBZLQKRQO-UHFFFAOYSA-N 0 3 324.856 2.370 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001008122612 785114500 /nfs/dbraw/zinc/11/45/00/785114500.db2.gz SSSBABNGLPUQRC-SFHVURJKSA-N 0 3 321.424 2.381 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001008172514 785126707 /nfs/dbraw/zinc/12/67/07/785126707.db2.gz VVKHCMXUYOGNSA-KGLIPLIRSA-N 0 3 319.405 2.296 20 30 DEEDHN CC(=O)N1CC[C@H](N2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001169563490 785244259 /nfs/dbraw/zinc/24/42/59/785244259.db2.gz OQDRRMPXVJJUNI-FUHWJXTLSA-N 0 3 313.401 2.022 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncoc2C2CC2)C1 ZINC001091311771 791095134 /nfs/dbraw/zinc/09/51/34/791095134.db2.gz HOPKJNIBCUUPNZ-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129337731 785258144 /nfs/dbraw/zinc/25/81/44/785258144.db2.gz WDAKKIGJCSUHFD-OAGGEKHMSA-N 0 3 319.453 2.022 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008656441 785263705 /nfs/dbraw/zinc/26/37/05/785263705.db2.gz DHMZNOHHIZBXTH-OALUTQOASA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001074172724 791097284 /nfs/dbraw/zinc/09/72/84/791097284.db2.gz VIYRSQFBQGAAAC-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1cc(C)n(C)n1 ZINC001169705893 785315509 /nfs/dbraw/zinc/31/55/09/785315509.db2.gz NZBWKVJHGYAWKJ-AWEZNQCLSA-N 0 3 306.454 2.459 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001091320081 791104645 /nfs/dbraw/zinc/10/46/45/791104645.db2.gz BHROMYAEVPHLNY-UHFFFAOYSA-N 0 3 310.829 2.315 20 30 DEEDHN CC(C)n1ccc(CNCCCC[C@@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001169832249 785374656 /nfs/dbraw/zinc/37/46/56/785374656.db2.gz MQBQDTZRCHGUBQ-LSDHHAIUSA-N 0 3 319.453 2.388 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001009358382 785436871 /nfs/dbraw/zinc/43/68/71/785436871.db2.gz NLCHVEDUSOJYFK-GJZGRUSLSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(OC)ccc2OC)C1 ZINC001009452401 785456601 /nfs/dbraw/zinc/45/66/01/785456601.db2.gz FQWOVKXGEMYOOF-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001009521394 785471828 /nfs/dbraw/zinc/47/18/28/785471828.db2.gz AEZGOEHEKOXBHW-CQSZACIVSA-N 0 3 313.405 2.037 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001009708772 785508237 /nfs/dbraw/zinc/50/82/37/785508237.db2.gz OIMPIBXHKDNUQU-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2csc(COC)n2)C1 ZINC001009705140 785509076 /nfs/dbraw/zinc/50/90/76/785509076.db2.gz YZXDZKGCEBMYKA-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001091355925 791119301 /nfs/dbraw/zinc/11/93/01/791119301.db2.gz CVGIXJGAKXIWDB-UHFFFAOYSA-N 0 3 309.841 2.492 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109250303 785782358 /nfs/dbraw/zinc/78/23/58/785782358.db2.gz PIQAYTGZSHWRIU-IKGGRYGDSA-N 0 3 306.450 2.182 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001109438717 785875855 /nfs/dbraw/zinc/87/58/55/785875855.db2.gz JGLLKCJWVNXFMN-SIXLDLHFSA-N 0 3 306.450 2.347 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN([C@@H]3CCc4ccccc43)C2)[nH]1 ZINC001010655983 785888784 /nfs/dbraw/zinc/88/87/84/785888784.db2.gz KUXYTDDZVRYNON-CRAIPNDOSA-N 0 3 320.396 2.378 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(F)F)C2 ZINC001109536985 785920693 /nfs/dbraw/zinc/92/06/93/785920693.db2.gz DDGDAZLKOSKAEL-CRWXNKLISA-N 0 3 316.392 2.202 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1nc(C)cc1C)C2 ZINC001109578233 785937630 /nfs/dbraw/zinc/93/76/30/785937630.db2.gz QMXCFTLMAYUOKQ-IKGGRYGDSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001066987390 785963934 /nfs/dbraw/zinc/96/39/34/785963934.db2.gz RHSVZEXPLYZYDA-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C#CCCCCC(=O)NCCCNCC(=C)Br ZINC001156812589 785965047 /nfs/dbraw/zinc/96/50/47/785965047.db2.gz XPYRNFQEQCXIBA-UHFFFAOYSA-N 0 3 301.228 2.185 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC#CC)C2 ZINC001109627272 785966808 /nfs/dbraw/zinc/96/68/08/785966808.db2.gz JJEYFSALYDBPIL-IKGGRYGDSA-N 0 3 304.434 2.104 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCC)CC1 ZINC001109676071 785981520 /nfs/dbraw/zinc/98/15/20/785981520.db2.gz QWTRSJDIHBXOGB-IKGGRYGDSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(F)(F)C(F)F)C2 ZINC001109724632 785997438 /nfs/dbraw/zinc/99/74/38/785997438.db2.gz BRDWCBPDBMTHKS-VWYCJHECSA-N 0 3 306.303 2.022 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001109928018 786102482 /nfs/dbraw/zinc/10/24/82/786102482.db2.gz CQRGDWCRDLXFLT-QZWWFDLISA-N 0 3 318.461 2.491 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CCN(CC(=C)C)C[C@@H]2O)CCCCC1 ZINC001100134277 786112587 /nfs/dbraw/zinc/11/25/87/786112587.db2.gz OTZYEPJSFUHLFM-IRXDYDNUSA-N 0 3 318.461 2.088 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC001113179651 786435750 /nfs/dbraw/zinc/43/57/50/786435750.db2.gz FAKGFMWYYBQUAF-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001014444290 786588268 /nfs/dbraw/zinc/58/82/68/786588268.db2.gz QDLLTBUHCMQGOZ-GXTWGEPZSA-N 0 3 321.446 2.375 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001014514115 786611819 /nfs/dbraw/zinc/61/18/19/786611819.db2.gz HMPHQNYYPHMOMU-INIZCTEOSA-N 0 3 300.402 2.139 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001014721191 786722484 /nfs/dbraw/zinc/72/24/84/786722484.db2.gz IXRFBKKSFBLRIC-JKSUJKDBSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001014890358 786793453 /nfs/dbraw/zinc/79/34/53/786793453.db2.gz LAGNBKDSOGRLQO-IAGOWNOFSA-N 0 3 313.445 2.280 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001015033562 786868568 /nfs/dbraw/zinc/86/85/68/786868568.db2.gz RCWLOOOVORKPAU-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015139976 786910289 /nfs/dbraw/zinc/91/02/89/786910289.db2.gz NTHRFLACHCCLHK-KRWDZBQOSA-N 0 3 307.397 2.305 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001015209208 786937991 /nfs/dbraw/zinc/93/79/91/786937991.db2.gz RWSHWWVZNYBNNX-DZGCQCFKSA-N 0 3 318.392 2.458 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC001170408456 786948121 /nfs/dbraw/zinc/94/81/21/786948121.db2.gz FHPDNLVWRBYHDH-KBPBESRZSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001015290888 786982414 /nfs/dbraw/zinc/98/24/14/786982414.db2.gz QAKBJXIATNBNHK-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001015307466 786993503 /nfs/dbraw/zinc/99/35/03/786993503.db2.gz PRNDQADECXSBIP-DOTOQJQBSA-N 0 3 300.377 2.069 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCOc3ccccc3)C[C@H]21 ZINC001114027605 787060270 /nfs/dbraw/zinc/06/02/70/787060270.db2.gz KROKJCGXPGKZAR-VQFNDLOPSA-N 0 3 300.402 2.078 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncccn2)C1 ZINC001086615809 787120876 /nfs/dbraw/zinc/12/08/76/787120876.db2.gz UTMIIKJYSPPVSQ-DLBZAZTESA-N 0 3 322.412 2.251 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC001015678947 787182384 /nfs/dbraw/zinc/18/23/84/787182384.db2.gz RAKUBMPAUUYGBY-HNNXBMFYSA-N 0 3 312.413 2.445 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(F)c(F)c2)cc1 ZINC001129484561 787219216 /nfs/dbraw/zinc/21/92/16/787219216.db2.gz UAKYZUWICCRZGC-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCCC#CC)C1 ZINC001130408655 787380923 /nfs/dbraw/zinc/38/09/23/787380923.db2.gz DCYIXNCCGVUGAV-HNNXBMFYSA-N 0 3 314.433 2.195 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(C)(F)F)C1 ZINC001130423549 787385741 /nfs/dbraw/zinc/38/57/41/787385741.db2.gz RYJHPQBHOGONRA-NSHDSACASA-N 0 3 312.364 2.047 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)s1 ZINC001130529979 787421242 /nfs/dbraw/zinc/42/12/42/787421242.db2.gz CVITVKDVOKIBRR-XUJVJEKNSA-N 0 3 303.431 2.262 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC001130538796 787424383 /nfs/dbraw/zinc/42/43/83/787424383.db2.gz CDWGFYDBSTWNDW-XQQFMLRXSA-N 0 3 303.431 2.262 20 30 DEEDHN COc1cc(C(=O)NCCNCc2ccc(C#N)cc2)ccc1C ZINC001131036793 787530064 /nfs/dbraw/zinc/53/00/64/787530064.db2.gz BNHNQGMGQMVTKH-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3ccccc31)C2 ZINC001096191082 787567922 /nfs/dbraw/zinc/56/79/22/787567922.db2.gz NEUZNIYWLNGXQE-RYRKJORJSA-N 0 3 324.428 2.334 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OC)c1F)C2 ZINC001096224761 787584316 /nfs/dbraw/zinc/58/43/16/787584316.db2.gz FBJSBXFPVCPJJI-SNPRPXQTSA-N 0 3 316.376 2.193 20 30 DEEDHN C[C@H](Nc1nc(-c2ccccc2)ccc1C#N)[C@@H]1CNCCO1 ZINC001170557901 787608076 /nfs/dbraw/zinc/60/80/76/787608076.db2.gz IOZTWGVHSZKUBW-GUYCJALGSA-N 0 3 308.385 2.409 20 30 DEEDHN C[C@@H](Nc1ccc(C#C[Si](C)(C)C)cn1)[C@H]1CNCCO1 ZINC001170558849 787609442 /nfs/dbraw/zinc/60/94/42/787609442.db2.gz RQQNTGVMIRLXIY-UKRRQHHQSA-N 0 3 303.482 2.099 20 30 DEEDHN Cc1noc(C2CC2)c1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131441129 787620642 /nfs/dbraw/zinc/62/06/42/787620642.db2.gz JPLPFTHLQWYOSM-UHFFFAOYSA-N 0 3 324.384 2.252 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)cn1)C2 ZINC001096388422 787646797 /nfs/dbraw/zinc/64/67/97/787646797.db2.gz AOWXWLIFMGKBFR-SNPRPXQTSA-N 0 3 303.793 2.093 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1C)C2 ZINC001096392393 787648752 /nfs/dbraw/zinc/64/87/52/787648752.db2.gz WHOJWPXVTIUWQK-PVAVHDDUSA-N 0 3 300.377 2.493 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@@H](C)O2 ZINC001131672921 787676626 /nfs/dbraw/zinc/67/66/26/787676626.db2.gz CPTUZIMBPMXGID-IEBWSBKVSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)cn1)C2 ZINC001096459430 787676806 /nfs/dbraw/zinc/67/68/06/787676806.db2.gz YIPOFSVDHXFJOX-NJAFHUGGSA-N 0 3 309.413 2.317 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001131779551 787735860 /nfs/dbraw/zinc/73/58/60/787735860.db2.gz GOIDVDPJQJOAPR-AAEUAGOBSA-N 0 3 308.451 2.395 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCNCc1cccc(F)c1 ZINC001131867675 787782447 /nfs/dbraw/zinc/78/24/47/787782447.db2.gz UFUIOQITUQFETG-KRWDZBQOSA-N 0 3 308.397 2.260 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccc(C)o2)CC[C@@H]1C ZINC001131965830 787856420 /nfs/dbraw/zinc/85/64/20/787856420.db2.gz ZNPBAJGMNCJFND-HOCLYGCPSA-N 0 3 320.433 2.302 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132003237 787877260 /nfs/dbraw/zinc/87/72/60/787877260.db2.gz RPAWNMYTBVJGQM-IRXDYDNUSA-N 0 3 308.466 2.432 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132019745 787896464 /nfs/dbraw/zinc/89/64/64/787896464.db2.gz ABSORBUNTLORFT-HOTGVXAUSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132077989 787918186 /nfs/dbraw/zinc/91/81/86/787918186.db2.gz KJDGPFDEMRAXDR-DGCLKSJQSA-N 0 3 302.846 2.381 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2ccc(OC)nc2)CC[C@@H]1C ZINC001132173429 787951262 /nfs/dbraw/zinc/95/12/62/787951262.db2.gz LYOSCZPWRIMWDT-GOEBONIOSA-N 0 3 317.433 2.178 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132228648 787982068 /nfs/dbraw/zinc/98/20/68/787982068.db2.gz USFFVXIEQCOMNL-IAGOWNOFSA-N 0 3 316.449 2.046 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cc(C)on2)CC[C@H]1C ZINC001132296391 788016354 /nfs/dbraw/zinc/01/63/54/788016354.db2.gz QBMPQQFODFHBDA-CZUORRHYSA-N 0 3 305.422 2.461 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCn2nc(C)cc2C)CC[C@H]1C ZINC001132330542 788030357 /nfs/dbraw/zinc/03/03/57/788030357.db2.gz JAALYEHOPVODAR-WBVHZDCISA-N 0 3 318.465 2.435 20 30 DEEDHN C#CCCCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001132398874 788056125 /nfs/dbraw/zinc/05/61/25/788056125.db2.gz SNNAGVFZBYRHBR-UHFFFAOYSA-N 0 3 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C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001070424947 789322500 /nfs/dbraw/zinc/32/25/00/789322500.db2.gz YOCMERLREXSHSO-IIAWOOMASA-N 0 3 316.449 2.437 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2ccn(C)n2)C1 ZINC001135422196 789345733 /nfs/dbraw/zinc/34/57/33/789345733.db2.gz GAUVYSAJAZPGFU-ZIAGYGMSSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001086742045 789401114 /nfs/dbraw/zinc/40/11/14/789401114.db2.gz VNHKPJMBSMSXRP-GXTWGEPZSA-N 0 3 323.824 2.331 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001070794201 789458355 /nfs/dbraw/zinc/45/83/55/789458355.db2.gz BCEXTXPACAQNDU-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071019797 789499683 /nfs/dbraw/zinc/49/96/83/789499683.db2.gz CUFVFMITDPMULN-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ocnc2CC)C1 ZINC001086797231 789507732 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CC(C)=CCN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[C@@H]1C ZINC001071438122 789723843 /nfs/dbraw/zinc/72/38/43/789723843.db2.gz LZLYRFLBKPSBGY-ZFWWWQNUSA-N 0 3 300.406 2.435 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(F)cc2F)CC[C@@H]1C ZINC001071520407 789755925 /nfs/dbraw/zinc/75/59/25/789755925.db2.gz CZBBMUXPBBGQIG-XJKSGUPXSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)CC[C@@H]1C ZINC001071548724 789773752 /nfs/dbraw/zinc/77/37/52/789773752.db2.gz KYSIGHRRVYSLER-GJZGRUSLSA-N 0 3 316.449 2.244 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cnn3ccccc23)CC[C@@H]1C ZINC001071576905 789789782 /nfs/dbraw/zinc/78/97/82/789789782.db2.gz SEOMXSMCCINUSQ-HOCLYGCPSA-N 0 3 312.417 2.032 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(C)nc2CC)CC[C@@H]1C ZINC001071594069 789800876 /nfs/dbraw/zinc/80/08/76/789800876.db2.gz MMLHGKFPJFNZPN-UONOGXRCSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3n[nH]cc3c2)CC[C@@H]1C ZINC001071601509 789805288 /nfs/dbraw/zinc/80/52/88/789805288.db2.gz 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C#CCCN1C[C@H](NC(=O)c2cncc(Cl)c2)CC[C@@H]1C ZINC001071896515 789963299 /nfs/dbraw/zinc/96/32/99/789963299.db2.gz GMWKCLDFJFOTEC-SWLSCSKDSA-N 0 3 305.809 2.341 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnccc2N(C)C)CC[C@@H]1C ZINC001072000167 790006862 /nfs/dbraw/zinc/00/68/62/790006862.db2.gz VGSBJQRWRXAKFT-LSDHHAIUSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)cn2)CC[C@@H]1C ZINC001072008372 790011068 /nfs/dbraw/zinc/01/10/68/790011068.db2.gz FEYMIFMXVBPUJM-JSGCOSHPSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(COC)cc2)CC[C@@H]1C ZINC001072057960 790034829 /nfs/dbraw/zinc/03/48/29/790034829.db2.gz DTVPPLGQYYEIOU-MAUKXSAKSA-N 0 3 314.429 2.439 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CN2CCc3ccccc32)CC[C@@H]1C ZINC001072076605 790043512 /nfs/dbraw/zinc/04/35/12/790043512.db2.gz RXQYTXTVPBEZRD-RDJZCZTQSA-N 0 3 313.445 2.204 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)nsc2C)CC[C@@H]1C ZINC001072105740 790054632 /nfs/dbraw/zinc/05/46/32/790054632.db2.gz 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CC#CCN1CCC2(CN(C(=O)CC(F)(F)C(F)(F)F)C2)C1 ZINC001148923045 791821573 /nfs/dbraw/zinc/82/15/73/791821573.db2.gz CORJLAJAQXATHS-UHFFFAOYSA-N 0 3 324.293 2.132 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)OC)C2)CC1 ZINC001086907447 791845153 /nfs/dbraw/zinc/84/51/53/791845153.db2.gz UAOZHNBEOKNLLW-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCCO3)C2)CC1 ZINC001086916595 791849214 /nfs/dbraw/zinc/84/92/14/791849214.db2.gz OFBJRGJCPAEMDU-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC3CC(F)(F)C3)C[C@]2(C)C1 ZINC001091797238 791883827 /nfs/dbraw/zinc/88/38/27/791883827.db2.gz JFIDZXPRXMEMNX-ZBFHGGJFSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3cccc(CC)c3)C[C@]2(C)C1 ZINC001091795401 791884293 /nfs/dbraw/zinc/88/42/93/791884293.db2.gz WOUWDSCBTXRJJZ-QUCCMNQESA-N 0 3 310.441 2.205 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)C[C@]2(C)C1 ZINC001091783754 791887542 /nfs/dbraw/zinc/88/75/42/791887542.db2.gz 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C=C(C)CN1CC[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](O)C1 ZINC001099925607 792404276 /nfs/dbraw/zinc/40/42/76/792404276.db2.gz HDRSBHMAVCHLKQ-OLZOCXBDSA-N 0 3 318.408 2.185 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@H](O)C1 ZINC001099925606 792405415 /nfs/dbraw/zinc/40/54/15/792405415.db2.gz HDRSBHMAVCHLKQ-CHWSQXEVSA-N 0 3 318.408 2.185 20 30 DEEDHN CCC(CC)CN1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001093516642 792418551 /nfs/dbraw/zinc/41/85/51/792418551.db2.gz CJKQNVJABZBJQS-AWEZNQCLSA-N 0 3 321.465 2.274 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099975515 792425367 /nfs/dbraw/zinc/42/53/67/792425367.db2.gz CQURLSKCWYVJBF-ROUUACIJSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C[C@H]1O ZINC001099974090 792425966 /nfs/dbraw/zinc/42/59/66/792425966.db2.gz NCWHBOXILZUYOR-QZTJIDSGSA-N 0 3 316.445 2.403 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccccc2)[C@@H](O)C1 ZINC001099979702 792427790 /nfs/dbraw/zinc/42/77/90/792427790.db2.gz 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792887707 /nfs/dbraw/zinc/88/77/07/792887707.db2.gz VOJHBGRPWMKEMF-GDBMZVCRSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3occ4c3CCC4)CCC[C@@H]12 ZINC001094479631 792947434 /nfs/dbraw/zinc/94/74/34/792947434.db2.gz JYLPSSAJSSZACM-VQIMIIECSA-N 0 3 312.413 2.376 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccc(C)nc2)C1 ZINC001100989226 792958165 /nfs/dbraw/zinc/95/81/65/792958165.db2.gz OSVVTXCJCXGQCU-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3sccc3OC)CCC[C@@H]12 ZINC001094563279 792982081 /nfs/dbraw/zinc/98/20/81/792982081.db2.gz NKQFRHSVOVTUHY-RHSMWYFYSA-N 0 3 318.442 2.364 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3c[nH]c4ncccc34)CCC[C@@H]12 ZINC001094578738 792991792 /nfs/dbraw/zinc/99/17/92/792991792.db2.gz XYKKSBYLVOSYBY-VQIMIIECSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3csc(Cl)n3)CCC[C@@H]12 ZINC001094555033 792998158 /nfs/dbraw/zinc/99/81/58/792998158.db2.gz GGVUTFUWUWBYCC-IUODEOHRSA-N 0 3 323.849 2.404 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CC(F)F)C[C@]2(C)C1 ZINC001101264621 793090706 /nfs/dbraw/zinc/09/07/06/793090706.db2.gz OHTLMGYIQPYVIJ-VBQJREDUSA-N 0 3 312.404 2.471 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101315073 793112832 /nfs/dbraw/zinc/11/28/32/793112832.db2.gz WYDJICODOKUNLG-NEWSRXKRSA-N 0 3 318.461 2.019 20 30 DEEDHN CCC[C@@H](CC)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101410198 793148796 /nfs/dbraw/zinc/14/87/96/793148796.db2.gz RFRBWWWOEZQSOH-LMMKCTJWSA-N 0 3 320.477 2.243 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C2C(C)(C)C2(C)C)[C@H](C)C1 ZINC001101849504 793409259 /nfs/dbraw/zinc/40/92/59/793409259.db2.gz JXUOGQKHKPRRQN-HUUCEWRRSA-N 0 3 320.477 2.003 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(C3CC3)CCC2)C1 ZINC001150037033 793425272 /nfs/dbraw/zinc/42/52/72/793425272.db2.gz SAVCEWUCYWQTGN-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCCC[C@@H](O)C2)C[C@H]1C#N ZINC001172979664 793550378 /nfs/dbraw/zinc/55/03/78/793550378.db2.gz GMGZNTGEHFWEIK-SOUVJXGZSA-N 0 3 323.437 2.125 20 30 DEEDHN C=CCOC1CCC(N2CC(N3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC001173325918 793678944 /nfs/dbraw/zinc/67/89/44/793678944.db2.gz SVMDJKDNKPSJHB-RSIVFMTNSA-N 0 3 308.466 2.294 20 30 DEEDHN N#CCC1CCC(N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)CC1 ZINC001173338638 793682359 /nfs/dbraw/zinc/68/23/59/793682359.db2.gz JKDSXKXOHHZXGQ-SJJHQCBESA-N 0 3 309.429 2.203 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)C[C@H]1C ZINC001102762620 793745921 /nfs/dbraw/zinc/74/59/21/793745921.db2.gz IRQYTLXPOHVUSD-UMVBOHGHSA-N 0 3 319.453 2.215 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnn(CC)c2)C1 ZINC001102795371 793761805 /nfs/dbraw/zinc/76/18/05/793761805.db2.gz DYRIGFUOHLXMJA-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccn(C)c2)C1 ZINC001102858287 793792173 /nfs/dbraw/zinc/79/21/73/793792173.db2.gz DHIXANVOWQPYQA-TZMCWYRMSA-N 0 3 309.841 2.465 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCC[C@@H]1CN(CCF)C[C@H]1C)OCC ZINC001103052808 793916303 /nfs/dbraw/zinc/91/63/03/793916303.db2.gz OZTOTVAKABLEQV-OAGGEKHMSA-N 0 3 314.445 2.401 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1OCc2ccccc21 ZINC001174875984 794092503 /nfs/dbraw/zinc/09/25/03/794092503.db2.gz VGAVPIKILCEFNK-HNNXBMFYSA-N 0 3 308.809 2.496 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC)c(OC)c1 ZINC001175078323 794135267 /nfs/dbraw/zinc/13/52/67/794135267.db2.gz MEYKCONBNXZFOM-UHFFFAOYSA-N 0 3 312.797 2.166 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCC(C)C)C2 ZINC001110184838 794181352 /nfs/dbraw/zinc/18/13/52/794181352.db2.gz YSFDUVPORXDBIQ-NCOADZHNSA-N 0 3 306.450 2.182 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)COCCC)C[C@H]1C ZINC001103963050 794330327 /nfs/dbraw/zinc/33/03/27/794330327.db2.gz VNNYLMYAEDOSRI-TZMCWYRMSA-N 0 3 302.846 2.240 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1C ZINC001104119133 794386236 /nfs/dbraw/zinc/38/62/36/794386236.db2.gz OHQQMMGBNHQMCD-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2cccnc2)C1 ZINC001111802917 794486639 /nfs/dbraw/zinc/48/66/39/794486639.db2.gz AUHSOTIFKRFFEK-HKUYNNGSSA-N 0 3 311.429 2.008 20 30 DEEDHN C[C@@H](NCCCNC(=O)CC#Cc1ccccc1)c1cnccn1 ZINC001176768202 794499942 /nfs/dbraw/zinc/49/99/42/794499942.db2.gz MHSGASHXSBSNEB-MRXNPFEDSA-N 0 3 322.412 2.075 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112159061 794566259 /nfs/dbraw/zinc/56/62/59/794566259.db2.gz OAJCCRDDHWSSOS-YRGRVCCFSA-N 0 3 322.371 2.214 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C2 ZINC001110209543 794694386 /nfs/dbraw/zinc/69/43/86/794694386.db2.gz BOCHFPFDVUXNAU-VWYCJHECSA-N 0 3 324.293 2.319 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(Cl)cnc1N ZINC001177903160 794772550 /nfs/dbraw/zinc/77/25/50/794772550.db2.gz FSCOEUOZTMDRBQ-SSDOTTSWSA-N 0 3 307.766 2.095 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2conc2C)CCCCC1 ZINC001115448094 794776554 /nfs/dbraw/zinc/77/65/54/794776554.db2.gz TWGXPWKJUAKDML-UHFFFAOYSA-N 0 3 321.421 2.094 20 30 DEEDHN Cc1ncoc1CNC1(CNC(=O)[C@H](C)C#N)CCCCC1 ZINC001115453238 794778770 /nfs/dbraw/zinc/77/87/70/794778770.db2.gz LJYRKUZUQSVURM-GFCCVEGCSA-N 0 3 304.394 2.051 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCC(=C)Cl)CCCCC1 ZINC001115507907 794803033 /nfs/dbraw/zinc/80/30/33/794803033.db2.gz UUHLEWMSUYHSRG-HNNXBMFYSA-N 0 3 314.857 2.475 20 30 DEEDHN C#CCCCC(=O)NCCCCCCNCc1cc(C)n(C)n1 ZINC001178327265 794900922 /nfs/dbraw/zinc/90/09/22/794900922.db2.gz BDUHLRJHTCVINL-UHFFFAOYSA-N 0 3 318.465 2.298 20 30 DEEDHN CCN(CC)CC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1C#N ZINC001115741769 794902500 /nfs/dbraw/zinc/90/25/00/794902500.db2.gz ZDGOIMAHJMXXRH-CYBMUJFWSA-N 0 3 320.412 2.298 20 30 DEEDHN Cc1ccc(CNCCNc2ncccc2C#N)cc1[N+](=O)[O-] ZINC001116017695 794936068 /nfs/dbraw/zinc/93/60/68/794936068.db2.gz WFPWTTWVLCAVKB-UHFFFAOYSA-N 0 3 311.345 2.372 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178572918 794955483 /nfs/dbraw/zinc/95/54/83/794955483.db2.gz WNKXUWZNROAQCS-MJVIPROJSA-N 0 3 321.248 2.212 20 30 DEEDHN C=CCCC[NH2+]CCCCCCNC(=O)c1cnc[n-]c1=O ZINC001178786871 794994268 /nfs/dbraw/zinc/99/42/68/794994268.db2.gz VLDINRODRMFXGG-UHFFFAOYSA-N 0 3 306.410 2.028 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@H](C)c2n[nH]c(C)n2)[C@@H]1C ZINC001178794875 794995377 /nfs/dbraw/zinc/99/53/77/794995377.db2.gz CZYPRORFDUDGSK-DYEKYZERSA-N 0 3 319.453 2.355 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(C)(C)CC)[C@H]1C ZINC001178781880 795006515 /nfs/dbraw/zinc/00/65/15/795006515.db2.gz ZBKHQKGCMUMEDK-ILXRZTDVSA-N 0 3 323.481 2.082 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179304202 795089906 /nfs/dbraw/zinc/08/99/06/795089906.db2.gz WQILPKQIALTOOD-NONVJHHQSA-N 0 3 314.404 2.412 20 30 DEEDHN N#Cc1cccc(NC(=O)CCNCc2cnc3n2CCCC3)c1 ZINC001118155218 795159260 /nfs/dbraw/zinc/15/92/60/795159260.db2.gz FYOVPAGPOCPLEU-UHFFFAOYSA-N 0 3 323.400 2.209 20 30 DEEDHN C#CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC001118187292 795163558 /nfs/dbraw/zinc/16/35/58/795163558.db2.gz NYEZAOJVJLXKSQ-MSOLQXFVSA-N 0 3 311.429 2.487 20 30 DEEDHN CCC(=O)N(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC001119376830 795294480 /nfs/dbraw/zinc/29/44/80/795294480.db2.gz DOJAQISSCGIKLP-AWEZNQCLSA-N 0 3 302.378 2.019 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC001119685712 795339238 /nfs/dbraw/zinc/33/92/38/795339238.db2.gz RPTGYIPZORWJHY-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccn(C2CCCCC2)n1 ZINC001119892926 795369912 /nfs/dbraw/zinc/36/99/12/795369912.db2.gz QNOYSULIWSKXPI-UHFFFAOYSA-N 0 3 317.437 2.465 20 30 DEEDHN CSCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001180847226 795383313 /nfs/dbraw/zinc/38/33/13/795383313.db2.gz MOJJREBXYKXQNH-LLVKDONJSA-N 0 3 309.460 2.063 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC(C)=O)C1 ZINC001120318558 795439645 /nfs/dbraw/zinc/43/96/45/795439645.db2.gz GHCXGYBIEPNBCD-MSOLQXFVSA-N 0 3 318.461 2.472 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2cc(C)ns2)C1 ZINC001181468932 795477881 /nfs/dbraw/zinc/47/78/81/795477881.db2.gz FXINRYVZKGTWAV-ZIAGYGMSSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(F)c2)C1 ZINC001181511564 795483185 /nfs/dbraw/zinc/48/31/85/795483185.db2.gz QPNUOCIIJSJEFP-CQSZACIVSA-N 0 3 306.381 2.491 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CC2(CC(NCc3ccccc3C#N)C2)C1 ZINC001120841826 795540990 /nfs/dbraw/zinc/54/09/90/795540990.db2.gz ZXGBCXQPSWEUDT-HKYFHIHASA-N 0 3 322.412 2.235 20 30 DEEDHN C[C@@H]1CN(c2ncc(C#N)cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001120960771 795567780 /nfs/dbraw/zinc/56/77/80/795567780.db2.gz XWDPOTUBCCRKJS-GFCCVEGCSA-N 0 3 315.377 2.315 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](OC)C1CC1)C2 ZINC001121039464 795581006 /nfs/dbraw/zinc/58/10/06/795581006.db2.gz IFQZGIYVWFCXNG-JNJRBNHSSA-N 0 3 312.841 2.181 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2CCN([C@H](C)CC)CC2)n1C ZINC001121329128 795618081 /nfs/dbraw/zinc/61/80/81/795618081.db2.gz ZVRFCCWEPHDJST-CABCVRRESA-N 0 3 303.454 2.253 20 30 DEEDHN COc1ccc(CN[C@@H]2CCN(C(=O)C#CC(C)C)C2)cc1F ZINC001182372733 795661663 /nfs/dbraw/zinc/66/16/63/795661663.db2.gz QOOFESWAOCSQIY-OAHLLOKOSA-N 0 3 318.392 2.184 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cnns2)C1 ZINC001182465520 795688941 /nfs/dbraw/zinc/68/89/41/795688941.db2.gz YXFWMDJFXROVSM-CZUORRHYSA-N 0 3 322.478 2.469 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001182544376 795704544 /nfs/dbraw/zinc/70/45/44/795704544.db2.gz CGWCQKYKNQMCMB-WBVHZDCISA-N 0 3 306.450 2.328 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC001122055732 795721983 /nfs/dbraw/zinc/72/19/83/795721983.db2.gz MVWROZLLDAFKOJ-BBRMVZONSA-N 0 3 316.417 2.178 20 30 DEEDHN C=C(C)Cn1c(CCC)nnc1N1CCN(CC2CC2)CC1 ZINC001122548319 795775400 /nfs/dbraw/zinc/77/54/00/795775400.db2.gz GJGAHMOKUKLNML-UHFFFAOYSA-N 0 3 303.454 2.339 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001182893071 795775546 /nfs/dbraw/zinc/77/55/46/795775546.db2.gz DTWUGLXLGKIQED-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001182893070 795775708 /nfs/dbraw/zinc/77/57/08/795775708.db2.gz DTWUGLXLGKIQED-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3ccccc3nc2C)C1 ZINC001182963856 795783203 /nfs/dbraw/zinc/78/32/03/795783203.db2.gz GINYZGYXJYZCIX-MRXNPFEDSA-N 0 3 307.397 2.371 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)CCc2ccco2)ccc1F ZINC001123411052 795909324 /nfs/dbraw/zinc/90/93/24/795909324.db2.gz ZNZMSEJGCPGYLD-UHFFFAOYSA-N 0 3 315.348 2.129 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2coc3cc(F)ccc23)C1 ZINC001183826741 795947480 /nfs/dbraw/zinc/94/74/80/795947480.db2.gz OSBSIBIVFLFMNM-CYBMUJFWSA-N 0 3 300.333 2.399 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2nccn2CC)[C@H](C)C1 ZINC001184020164 795974426 /nfs/dbraw/zinc/97/44/26/795974426.db2.gz NDPWUWAYBGFTIX-CVEARBPZSA-N 0 3 318.465 2.443 20 30 DEEDHN COc1ccc(CNCCNC(=O)/C=C(\C)C2CC2)cc1C#N ZINC001124217317 796046950 /nfs/dbraw/zinc/04/69/50/796046950.db2.gz OWQYKKXMKFIDPH-UKTHLTGXSA-N 0 3 313.401 2.129 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC001184668962 796102727 /nfs/dbraw/zinc/10/27/27/796102727.db2.gz SXWAEKHNFVJIPP-MRXNPFEDSA-N 0 3 304.821 2.486 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(CC)CC)C1 ZINC001184858291 796142318 /nfs/dbraw/zinc/14/23/18/796142318.db2.gz KROSXOXOEZJNFU-DZGCQCFKSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001185070620 796182460 /nfs/dbraw/zinc/18/24/60/796182460.db2.gz HTNPDAHTUUPLIM-GOEBONIOSA-N 0 3 302.422 2.078 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(O)cc(O)c3)C2)C1=O ZINC001138325450 796195928 /nfs/dbraw/zinc/19/59/28/796195928.db2.gz OKWIGHIKNXUWIC-GOSISDBHSA-N 0 3 316.401 2.098 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@](F)(CO)CC2)cc1OC ZINC001138344000 796202121 /nfs/dbraw/zinc/20/21/21/796202121.db2.gz UTYLHOUDSQOISG-SFHVURJKSA-N 0 3 321.392 2.394 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001185280601 796229241 /nfs/dbraw/zinc/22/92/41/796229241.db2.gz SFCSGNPOOQNEAH-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H](NCc2ccccn2)C12CCC2 ZINC001202848139 796244801 /nfs/dbraw/zinc/24/48/01/796244801.db2.gz YBCHYQRKMOXTEC-DLBZAZTESA-N 0 3 311.429 2.402 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC001138629082 796246430 /nfs/dbraw/zinc/24/64/30/796246430.db2.gz NFFQYKBLLOMSDK-MRXNPFEDSA-N 0 3 302.418 2.421 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC001138629082 796246432 /nfs/dbraw/zinc/24/64/32/796246432.db2.gz NFFQYKBLLOMSDK-MRXNPFEDSA-N 0 3 302.418 2.421 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001185576743 796282727 /nfs/dbraw/zinc/28/27/27/796282727.db2.gz PFRWJCXMONHXHS-MGPQQGTHSA-N 0 3 318.367 2.282 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOCC ZINC001110367565 796309013 /nfs/dbraw/zinc/30/90/13/796309013.db2.gz MAXSIJGPTTWERJ-HZMVEIRTSA-N 0 3 324.465 2.116 20 30 DEEDHN CN(C)C1CN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139423319 796374646 /nfs/dbraw/zinc/37/46/46/796374646.db2.gz COSORRNNLFIAGC-UHFFFAOYSA-N 0 3 308.385 2.491 20 30 DEEDHN O=C(NCCc1ccc(F)cc1)N1CCC2SC(=O)C=C2C1 ZINC001186257303 796386211 /nfs/dbraw/zinc/38/62/11/796386211.db2.gz SQEBBFNSBFUJQP-AWEZNQCLSA-N 0 3 320.389 2.352 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC001186420165 796404634 /nfs/dbraw/zinc/40/46/34/796404634.db2.gz LIBBMDVGOSNEFV-CYBMUJFWSA-N 0 3 315.398 2.231 20 30 DEEDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139724349 796416431 /nfs/dbraw/zinc/41/64/31/796416431.db2.gz PQYZMJBWWFOBSS-MRXNPFEDSA-N 0 3 314.385 2.211 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncnc2sccc21 ZINC001139869771 796439376 /nfs/dbraw/zinc/43/93/76/796439376.db2.gz SPCNFYUYEDFXRM-UHFFFAOYSA-N 0 3 304.419 2.271 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc2nccnc2cc1F ZINC001139869377 796439384 /nfs/dbraw/zinc/43/93/84/796439384.db2.gz HXIDQBYKRKTNDB-UHFFFAOYSA-N 0 3 316.380 2.349 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC4(C[C@H](O)CO4)CC3)c2c1 ZINC001140110655 796477928 /nfs/dbraw/zinc/47/79/28/796477928.db2.gz OGPKSULWHMHSFL-HNNXBMFYSA-N 0 3 311.385 2.155 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001187115922 796484439 /nfs/dbraw/zinc/48/44/39/796484439.db2.gz VIROFGIABOUEEL-IAGOWNOFSA-N 0 3 324.440 2.135 20 30 DEEDHN N#Cc1ccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC001140542625 796536946 /nfs/dbraw/zinc/53/69/46/796536946.db2.gz CJISPHNSVZAHHC-SFHVURJKSA-N 0 3 304.353 2.049 20 30 DEEDHN CCc1sc(C(=O)N2CC[C@@H](NCC#CCOC)C2)cc1C ZINC001187664564 796560053 /nfs/dbraw/zinc/56/00/53/796560053.db2.gz SNYRTPNHBJDBBV-CQSZACIVSA-N 0 3 320.458 2.073 20 30 DEEDHN CN1CCC2(CCN(Cc3cc(F)c(C#N)c(F)c3)CC2)C1=O ZINC001140757252 796569151 /nfs/dbraw/zinc/56/91/51/796569151.db2.gz XCXQFLVDQBNFTO-UHFFFAOYSA-N 0 3 319.355 2.281 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cc(C)[nH]n1)C2 ZINC001203074846 796590499 /nfs/dbraw/zinc/59/04/99/796590499.db2.gz WPPLXYISHIEMKQ-IAGOWNOFSA-N 0 3 305.422 2.292 20 30 DEEDHN CN(Cc1ccc(Oc2ccc(C#N)cc2)cc1)C[C@H](O)CO ZINC001141289802 796656827 /nfs/dbraw/zinc/65/68/27/796656827.db2.gz PCIMABVTAQGSMS-INIZCTEOSA-N 0 3 312.369 2.136 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCC3)[C@@H]2C1 ZINC001188307076 796661850 /nfs/dbraw/zinc/66/18/50/796661850.db2.gz LAWCYAIAHFIUEY-HYVNUMGLSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1OC ZINC001188569991 796683205 /nfs/dbraw/zinc/68/32/05/796683205.db2.gz XXZHXFUTKFWSJY-ZDUSSCGKSA-N 0 3 319.405 2.476 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(OC)c(OC)c1 ZINC001188816695 796726220 /nfs/dbraw/zinc/72/62/20/796726220.db2.gz QVHZDSARLTUKPM-AWEZNQCLSA-N 0 3 319.405 2.476 20 30 DEEDHN Cc1cc(CN(C)[C@@H]2CCN(C(=O)CSCC#N)C2)cs1 ZINC001188959553 796747889 /nfs/dbraw/zinc/74/78/89/796747889.db2.gz VEUSQZSRTJYYOZ-CQSZACIVSA-N 0 3 323.487 2.346 20 30 DEEDHN COc1cccc(CC(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001149792341 796895893 /nfs/dbraw/zinc/89/58/93/796895893.db2.gz PXLAXCKWILEOKC-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001189918483 796903120 /nfs/dbraw/zinc/90/31/20/796903120.db2.gz RFOOLKKGRSKJQR-SJLPKXTDSA-N 0 3 320.408 2.186 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)CCOCCC(C)C)C1 ZINC001190004989 796921211 /nfs/dbraw/zinc/92/12/11/796921211.db2.gz VDAPDVZZGVAJDB-QGZVFWFLSA-N 0 3 308.466 2.241 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150159575 796923941 /nfs/dbraw/zinc/92/39/41/796923941.db2.gz KPIOBCVSMVLWNQ-CABCVRRESA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001150219833 796928978 /nfs/dbraw/zinc/92/89/78/796928978.db2.gz ROSWFNXAXVGYHV-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](F)c2ccccc2)C1 ZINC001150371827 796938750 /nfs/dbraw/zinc/93/87/50/796938750.db2.gz MQXFMRJZDSOJNC-IRXDYDNUSA-N 0 3 320.408 2.480 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CC[C@H]2CCCCO2)C1 ZINC001150396020 796940443 /nfs/dbraw/zinc/94/04/43/796940443.db2.gz YMLZRXANZZGPRJ-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001150416294 796941315 /nfs/dbraw/zinc/94/13/15/796941315.db2.gz AXPXUQLBYNEDEF-HZPDHXFCSA-N 0 3 320.433 2.475 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001150570943 796955281 /nfs/dbraw/zinc/95/52/81/796955281.db2.gz FKHHZQZZBSPCER-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ccncc2)CC1 ZINC001150895966 796989148 /nfs/dbraw/zinc/98/91/48/796989148.db2.gz PGRLAIIHRDLCLK-UHFFFAOYSA-N 0 3 317.433 2.259 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCSC)CC1 ZINC001150930499 796993155 /nfs/dbraw/zinc/99/31/55/796993155.db2.gz NPTAITFIOHXQEY-UHFFFAOYSA-N 0 3 314.495 2.303 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001190405776 796994864 /nfs/dbraw/zinc/99/48/64/796994864.db2.gz PCWQZIJZMZMWFL-QGZVFWFLSA-N 0 3 302.418 2.020 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](C)CSC)CC1 ZINC001151021274 797001922 /nfs/dbraw/zinc/00/19/22/797001922.db2.gz OGLWJFKRAZEFRD-CQSZACIVSA-N 0 3 314.495 2.159 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H]2CCCCO2)CC1 ZINC001151063739 797007475 /nfs/dbraw/zinc/00/74/75/797007475.db2.gz RVCJORFSFMZNOZ-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCO[C@@H]2CC2(F)F)C1 ZINC001190436573 797007868 /nfs/dbraw/zinc/00/78/68/797007868.db2.gz WVHYWEMVMCEJGK-ZIAGYGMSSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001151374525 797038796 /nfs/dbraw/zinc/03/87/96/797038796.db2.gz JWDQKPZDGMKCRK-CVEARBPZSA-N 0 3 308.466 2.452 20 30 DEEDHN Cc1nc(C(=O)NCCNCc2ccc(C#N)s2)sc1C ZINC001151448266 797047172 /nfs/dbraw/zinc/04/71/72/797047172.db2.gz LQQZJQMLSZPAMZ-UHFFFAOYSA-N 0 3 320.443 2.213 20 30 DEEDHN CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837870 797090063 /nfs/dbraw/zinc/09/00/63/797090063.db2.gz VITJTLKLPPYGFC-CQSZACIVSA-N 0 3 320.437 2.299 20 30 DEEDHN CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837870 797090070 /nfs/dbraw/zinc/09/00/70/797090070.db2.gz VITJTLKLPPYGFC-CQSZACIVSA-N 0 3 320.437 2.299 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001206641658 797094201 /nfs/dbraw/zinc/09/42/01/797094201.db2.gz XWVTVRRHFQLDID-HBUWYVDXSA-N 0 3 311.429 2.271 20 30 DEEDHN C[C@@H]1CC[C@@H](CCC(=O)NCCNCc2ccc(C#N)s2)O1 ZINC001151793322 797097354 /nfs/dbraw/zinc/09/73/54/797097354.db2.gz ATUSRWDBMCILNY-OLZOCXBDSA-N 0 3 321.446 2.173 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(Cc2c(C)cc(C)cc2C)C[C@H]1O ZINC001191622350 797231396 /nfs/dbraw/zinc/23/13/96/797231396.db2.gz IYUVOLWATIYJDB-QZTJIDSGSA-N 0 3 316.445 2.239 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CC(C)(C)O ZINC001153047229 797276759 /nfs/dbraw/zinc/27/67/59/797276759.db2.gz SNMINGQHLCGMDB-CQSZACIVSA-N 0 3 317.433 2.046 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001154103098 797464457 /nfs/dbraw/zinc/46/44/57/797464457.db2.gz SSGFJGZFYGGPJT-QAPCUYQASA-N 0 3 314.429 2.264 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(N(C)C)cc1 ZINC001154215891 797487628 /nfs/dbraw/zinc/48/76/28/797487628.db2.gz KLRMMDPIKUGROD-MRXNPFEDSA-N 0 3 315.461 2.145 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001193201533 797520325 /nfs/dbraw/zinc/52/03/25/797520325.db2.gz LPKQLNWUTDCIOC-BRWVUGGUSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001193245295 797529786 /nfs/dbraw/zinc/52/97/86/797529786.db2.gz ZLKMZYWGSWRVIQ-HNNXBMFYSA-N 0 3 312.429 2.394 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001193304057 797541119 /nfs/dbraw/zinc/54/11/19/797541119.db2.gz KKEBFONFQWHCOP-NWANDNLSSA-N 0 3 322.474 2.495 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(C2CC2)CCOCC1 ZINC001154480733 797542740 /nfs/dbraw/zinc/54/27/40/797542740.db2.gz FRQPMWSGBIQGBS-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001193345152 797548896 /nfs/dbraw/zinc/54/88/96/797548896.db2.gz MKGZTLDXECQWGX-QZTJIDSGSA-N 0 3 316.445 2.193 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001193353650 797551217 /nfs/dbraw/zinc/55/12/17/797551217.db2.gz JFSPRGVPQOALSP-QZTJIDSGSA-N 0 3 318.461 2.417 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@H]1O ZINC001193390500 797557273 /nfs/dbraw/zinc/55/72/73/797557273.db2.gz BPAUIPYXQJOIKW-QZTJIDSGSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2sccc2OC)C1 ZINC001193621225 797594745 /nfs/dbraw/zinc/59/47/45/797594745.db2.gz DXDMMLPZHFKIMR-CYBMUJFWSA-N 0 3 324.446 2.106 20 30 DEEDHN N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccccc2[O-])cc1 ZINC001154758765 797606359 /nfs/dbraw/zinc/60/63/59/797606359.db2.gz DVVPHRGLZKMUFK-UHFFFAOYSA-N 0 3 309.369 2.174 20 30 DEEDHN Cc1nc(-n2nc(C(F)(F)F)c3c2CCNC3)ccc1C#N ZINC001154845522 797625395 /nfs/dbraw/zinc/62/53/95/797625395.db2.gz BFTLHJHRRNOFSE-UHFFFAOYSA-N 0 3 307.279 2.112 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CCOCC(C)C ZINC001154955742 797646298 /nfs/dbraw/zinc/64/62/98/797646298.db2.gz HHQWPIGAZIARIG-UHFFFAOYSA-N 0 3 321.259 2.054 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(OCCOC)c2)C1 ZINC001194217072 797694253 /nfs/dbraw/zinc/69/42/53/797694253.db2.gz FTIKDWBAXARTAG-INIZCTEOSA-N 0 3 318.417 2.044 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)CCO2 ZINC001155401072 797749524 /nfs/dbraw/zinc/74/95/24/797749524.db2.gz QSQAGZLHABDQID-CQSZACIVSA-N 0 3 300.402 2.085 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001194605104 797750430 /nfs/dbraw/zinc/75/04/30/797750430.db2.gz WPZIPYXDWUMIOC-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1cc(C2CC2)no1 ZINC001155445661 797758964 /nfs/dbraw/zinc/75/89/64/797758964.db2.gz BJXHZCXXLWUVEK-ZDUSSCGKSA-N 0 3 321.421 2.129 20 30 DEEDHN N#Cc1cc2c(nc1N[C@@H]1CNCc3ccsc31)CCOC2 ZINC001155565980 797792517 /nfs/dbraw/zinc/79/25/17/797792517.db2.gz XAAGHEOCPSFVPP-CQSZACIVSA-N 0 3 312.398 2.344 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1cccnc1 ZINC001155612468 797805482 /nfs/dbraw/zinc/80/54/82/797805482.db2.gz WRWJHWXKFIOXSV-JKSUJKDBSA-N 0 3 301.434 2.425 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)Cc1ccsc1C ZINC001155644432 797815110 /nfs/dbraw/zinc/81/51/10/797815110.db2.gz ACYRJYISQRJKJC-CQSZACIVSA-N 0 3 322.474 2.075 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2ccnn2C)CC1 ZINC001195138015 797841843 /nfs/dbraw/zinc/84/18/43/797841843.db2.gz KHOHSCGJYVEUPU-UHFFFAOYSA-N 0 3 304.438 2.314 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)C2CC=CC2)c(F)c1 ZINC001156061329 797916715 /nfs/dbraw/zinc/91/67/15/797916715.db2.gz CXABHOUUTRRJTH-UHFFFAOYSA-N 0 3 301.365 2.259 20 30 DEEDHN N#Cc1cc(Cl)nnc1N1CCNC[C@@H]1c1cccs1 ZINC001156088725 797922367 /nfs/dbraw/zinc/92/23/67/797922367.db2.gz ATGHLDCPKOWIAW-SNVBAGLBSA-N 0 3 305.794 2.214 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195566654 797929003 /nfs/dbraw/zinc/92/90/03/797929003.db2.gz BCAMXTISVUTINX-APBGNUCKSA-N 0 3 308.466 2.496 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1scnc1C ZINC001156125824 797929953 /nfs/dbraw/zinc/92/99/53/797929953.db2.gz NJOXDOHYZRANJL-CYBMUJFWSA-N 0 3 307.463 2.234 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)/C=C/C2CC2)c1 ZINC001156174528 797939118 /nfs/dbraw/zinc/93/91/18/797939118.db2.gz ZAYFUHDRNUDHPI-FNORWQNLSA-N 0 3 301.365 2.259 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001156198698 797944839 /nfs/dbraw/zinc/94/48/39/797944839.db2.gz BYXNYKCIOLDLNO-ITGUQSILSA-N 0 3 315.255 2.427 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H]1O ZINC001195732810 797945208 /nfs/dbraw/zinc/94/52/08/797945208.db2.gz KOXYPSYLNAHOIT-KZNAEPCWSA-N 0 3 314.429 2.192 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@H]1O ZINC001195732958 797945369 /nfs/dbraw/zinc/94/53/69/797945369.db2.gz RQWIHOXKRPKCPJ-QZTJIDSGSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(CCCC)c1C ZINC001156283076 797965952 /nfs/dbraw/zinc/96/59/52/797965952.db2.gz KTZFXNHZOKNZPL-CQSZACIVSA-N 0 3 304.438 2.065 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC001156318684 797973660 /nfs/dbraw/zinc/97/36/60/797973660.db2.gz FLBJRMNQFBQCNO-SJLPKXTDSA-N 0 3 315.461 2.139 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@H](C)SC ZINC001156744359 798065901 /nfs/dbraw/zinc/06/59/01/798065901.db2.gz DBAUFMHXEWFTDP-JTQLQIEISA-N 0 3 309.273 2.133 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc(-c2ccco2)s1 ZINC001156501870 798016839 /nfs/dbraw/zinc/01/68/39/798016839.db2.gz TWACYSXMNSAWEV-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC001156672475 798058840 /nfs/dbraw/zinc/05/88/40/798058840.db2.gz PRGGDOOMUUTUAP-XJKSGUPXSA-N 0 3 304.438 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DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CC=CCC2)(COC)CC1 ZINC001162408609 799080764 /nfs/dbraw/zinc/08/07/64/799080764.db2.gz GJDLHHZWWIOLLK-KRWDZBQOSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2CC3(CCC3)C2)(COC)CC1 ZINC001162423436 799085389 /nfs/dbraw/zinc/08/53/89/799085389.db2.gz FISCXWIHXVLRHB-UHFFFAOYSA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCC[C@@H]2C)(COC)CC1 ZINC001162433180 799087238 /nfs/dbraw/zinc/08/72/38/799087238.db2.gz BBRUODODYAQKAA-IRXDYDNUSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)N(C)C(C)C)CCCC1 ZINC001153814051 799155266 /nfs/dbraw/zinc/15/52/66/799155266.db2.gz OFYZQJIAFWENBF-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(C#N)n1 ZINC001162760667 799167821 /nfs/dbraw/zinc/16/78/21/799167821.db2.gz ULKKDSRVDXOVSR-SECBINFHSA-N 0 3 308.301 2.220 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2conc2C)C12CCC2 ZINC001202598837 799283091 /nfs/dbraw/zinc/28/30/91/799283091.db2.gz 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3 302.418 2.180 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001214049457 801668404 /nfs/dbraw/zinc/66/84/04/801668404.db2.gz HZHTXHPLINFUCJ-OWCLPIDISA-N 0 3 323.481 2.036 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC2(CCC(=O)O2)CC1 ZINC001231618491 801697035 /nfs/dbraw/zinc/69/70/35/801697035.db2.gz MATMRYRODIWPBP-UHFFFAOYSA-N 0 3 300.358 2.238 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214400620 801712222 /nfs/dbraw/zinc/71/22/22/801712222.db2.gz IPCOQNWKOKGEAS-RHSMWYFYSA-N 0 3 323.396 2.085 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001214467747 801720461 /nfs/dbraw/zinc/72/04/61/801720461.db2.gz DVUVRLHAYQZXKK-UKRRQHHQSA-N 0 3 305.447 2.273 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214584364 801735476 /nfs/dbraw/zinc/73/54/76/801735476.db2.gz YRKGQFYPZJNFHX-VXGBXAGGSA-N 0 3 303.233 2.401 20 30 DEEDHN CCOC(=O)CN(CCC#N)Cc1cc(F)cc(CN(C)C)c1 ZINC001232149340 801800690 /nfs/dbraw/zinc/80/06/90/801800690.db2.gz NCIUAMCYZLNSCL-UHFFFAOYSA-N 0 3 321.396 2.166 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001215367773 801848366 /nfs/dbraw/zinc/84/83/66/801848366.db2.gz VNPFXHWEVSKGHO-JJRVBVJISA-N 0 3 318.465 2.267 20 30 DEEDHN CCN1CCN(Cc2ccc(N(C)C)c(C#N)c2F)[C@H](C)C1 ZINC001233104104 802028536 /nfs/dbraw/zinc/02/85/36/802028536.db2.gz QUYVRATZYKGDKL-CYBMUJFWSA-N 0 3 304.413 2.289 20 30 DEEDHN N#Cc1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c(F)c1 ZINC001216852940 802033227 /nfs/dbraw/zinc/03/32/27/802033227.db2.gz CFOZOHOSRRSDTD-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccccc3)[C@H]2C1 ZINC001217201044 802053175 /nfs/dbraw/zinc/05/31/75/802053175.db2.gz UTLLIHPMCOJKMS-DLBZAZTESA-N 0 3 300.402 2.178 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cc(C)ns2)CC1 ZINC001233313331 802073152 /nfs/dbraw/zinc/07/31/52/802073152.db2.gz RJWJWHLQVWAZDF-UHFFFAOYSA-N 0 3 320.506 2.243 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)/C=C(\C)C3CC3)[C@H]2C1 ZINC001217388139 802073570 /nfs/dbraw/zinc/07/35/70/802073570.db2.gz RPUORTXVSSDDRU-RRWNYDGOSA-N 0 3 304.434 2.221 20 30 DEEDHN N#Cc1cccc(-c2noc(-c3ccc4c(n3)CCNC4)n2)c1 ZINC001217490975 802079352 /nfs/dbraw/zinc/07/93/52/802079352.db2.gz DTBBHDDXDBBYDB-UHFFFAOYSA-N 0 3 303.325 2.316 20 30 DEEDHN C=CCOCCCC(=O)N1CCO[C@@H]2CN(CCCCC)C[C@@H]21 ZINC001217596350 802089532 /nfs/dbraw/zinc/08/95/32/802089532.db2.gz XAPLMKFBBRUFQV-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCC(F)(F)F)[C@H]2C1 ZINC001217606814 802090165 /nfs/dbraw/zinc/09/01/65/802090165.db2.gz HAFHJPAPKKKCPA-QWHCGFSZSA-N 0 3 320.355 2.207 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001233492634 802134376 /nfs/dbraw/zinc/13/43/76/802134376.db2.gz XDMKAIAJGDOOKW-WFASDCNBSA-N 0 3 303.381 2.291 20 30 DEEDHN N#Cc1ccc(-c2ccc(O[C@@H]3CN4C[C@H]3NCC4)cc2)cc1 ZINC001218108155 802143812 /nfs/dbraw/zinc/14/38/12/802143812.db2.gz FNTOXHXOGVPCGY-RTBURBONSA-N 0 3 305.381 2.260 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3ccsn3)[C@H]2C1 ZINC001218148139 802147121 /nfs/dbraw/zinc/14/71/21/802147121.db2.gz OXSRFMCUZZZSDV-AEGPPILISA-N 0 3 321.446 2.023 20 30 DEEDHN CC(C)CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001233743490 802194860 /nfs/dbraw/zinc/19/48/60/802194860.db2.gz YRVRHJMJQAZUIZ-INIZCTEOSA-N 0 3 302.422 2.469 20 30 DEEDHN N#Cc1c(NC(=O)Cc2ccccc2N)sc2c1CCNC2 ZINC001218554718 802205429 /nfs/dbraw/zinc/20/54/29/802205429.db2.gz WJZNBTUGJBAAHA-UHFFFAOYSA-N 0 3 312.398 2.029 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001234162915 802315193 /nfs/dbraw/zinc/31/51/93/802315193.db2.gz WOGKCHZJWVQGNH-QZTJIDSGSA-N 0 3 320.477 2.120 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@@H](O)C1 ZINC001219438330 802328646 /nfs/dbraw/zinc/32/86/46/802328646.db2.gz OMYFBVHISOQHFG-KGLIPLIRSA-N 0 3 318.408 2.163 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001234298006 802344363 /nfs/dbraw/zinc/34/43/63/802344363.db2.gz ZGSOGRLJBLSRAB-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001219704797 802369434 /nfs/dbraw/zinc/36/94/34/802369434.db2.gz KKEBFONFQWHCOP-YUELXQCFSA-N 0 3 322.474 2.495 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)CC(F)F)[C@@H](O)C1 ZINC001220030056 802401233 /nfs/dbraw/zinc/40/12/33/802401233.db2.gz UWFODZDRIIUPSE-MJBXVCDLSA-N 0 3 320.424 2.409 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C/CC)C[C@@H]1O ZINC001220146776 802415272 /nfs/dbraw/zinc/41/52/72/802415272.db2.gz QOSJWSULPWYTJI-WRBKUFGZSA-N 0 3 306.450 2.088 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCCc2ccccc2)[C@@H](O)C1 ZINC001220263158 802434364 /nfs/dbraw/zinc/43/43/64/802434364.db2.gz YNGBZOAPWKEWTE-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001220331333 802445497 /nfs/dbraw/zinc/44/54/97/802445497.db2.gz REXJWTWWJWBSQO-XKQJLSEDSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001220398219 802454770 /nfs/dbraw/zinc/45/47/70/802454770.db2.gz XZUHLEJTHFTFOL-KGLIPLIRSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)[C@@H](O)C1 ZINC001220539290 802472675 /nfs/dbraw/zinc/47/26/75/802472675.db2.gz KELJHMBKXYKLRE-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN C[C@@H]1CCN[C@@H](C(=O)N=C(N)c2ccc3cc(O)ccc3c2)C1 ZINC001220633896 802481001 /nfs/dbraw/zinc/48/10/01/802481001.db2.gz CRKHHDJVQGLYKT-BDJLRTHQSA-N 0 3 311.385 2.165 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001221493021 802582885 /nfs/dbraw/zinc/58/28/85/802582885.db2.gz SNVSOXHFGQMNHR-FGTMMUONSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001221559957 802592211 /nfs/dbraw/zinc/59/22/11/802592211.db2.gz UDRDCTCVCGFWTK-CHWSQXEVSA-N 0 3 321.446 2.264 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3C=CC=CC=C3)[C@@H]2C1 ZINC001221579395 802593594 /nfs/dbraw/zinc/59/35/94/802593594.db2.gz BKWXDCMHQYOYKF-QZTJIDSGSA-N 0 3 314.429 2.020 20 30 DEEDHN C=CCCC(=O)NCC1CCN(CCOCC(F)F)CC1 ZINC001222609386 802716643 /nfs/dbraw/zinc/71/66/43/802716643.db2.gz JGLWJJPNCUKENH-UHFFFAOYSA-N 0 3 304.381 2.063 20 30 DEEDHN C=CCCC(=O)NCC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC001222609679 802716659 /nfs/dbraw/zinc/71/66/59/802716659.db2.gz PKVMTJMRGHQGES-ZDUSSCGKSA-N 0 3 322.371 2.094 20 30 DEEDHN C=CCCC(=O)NCC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC001222613372 802717627 /nfs/dbraw/zinc/71/76/27/802717627.db2.gz YMRUMAWDMGAGJP-CQSZACIVSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223183422 802772031 /nfs/dbraw/zinc/77/20/31/802772031.db2.gz YLWWCDXYQGVFLE-AWEZNQCLSA-N 0 3 320.458 2.115 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cccc(Cl)c2F)CC1 ZINC001224657115 802890148 /nfs/dbraw/zinc/89/01/48/802890148.db2.gz VRCASCPFFFMIFT-UHFFFAOYSA-N 0 3 322.811 2.483 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC001224845986 802909486 /nfs/dbraw/zinc/90/94/86/802909486.db2.gz CGUVSFQMPHTVEP-ZDUSSCGKSA-N 0 3 317.433 2.246 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(F)c(C#N)c3)C[C@H]1N2C ZINC001225825157 803017661 /nfs/dbraw/zinc/01/76/61/803017661.db2.gz SJISRAYHQCGTHS-GUDXXQAFSA-N 0 3 318.348 2.243 20 30 DEEDHN C=CCCC(=O)NC1CCN(CCOC[C@@H]2CCCCO2)CC1 ZINC001226518093 803117973 /nfs/dbraw/zinc/11/79/73/803117973.db2.gz BNAGCBBARSZKBE-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001226640208 803135468 /nfs/dbraw/zinc/13/54/68/803135468.db2.gz KYQXMXWLRRHYOY-GHMZBOCLSA-N 0 3 318.248 2.311 20 30 DEEDHN C#CCCCC(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001227084735 803198009 /nfs/dbraw/zinc/19/80/09/803198009.db2.gz HMMWCXHRNCJNBS-UHFFFAOYSA-N 0 3 314.429 2.063 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1n[nH]c(C)n1 ZINC001227973824 803301462 /nfs/dbraw/zinc/30/14/62/803301462.db2.gz ZKGOVIVDKLLWCX-IACUBPJLSA-N 0 3 319.453 2.403 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCN(CCc2ccns2)CC1 ZINC001228631565 803383099 /nfs/dbraw/zinc/38/30/99/803383099.db2.gz PAQZALGFBBZEAQ-UHFFFAOYSA-N 0 3 307.463 2.478 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCN(CCCc2nc(C)no2)CC1 ZINC001228631154 803383788 /nfs/dbraw/zinc/38/37/88/803383788.db2.gz DQWUHJLAMQZAOP-UHFFFAOYSA-N 0 3 320.437 2.103 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)COc1ccc2ccccc2c1 ZINC001327994095 1148695105 /nfs/dbraw/zinc/69/51/05/1148695105.db2.gz ZRPOURRRERZKTM-SJORKVTESA-N 0 3 301.386 2.370 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC001334146119 1150211942 /nfs/dbraw/zinc/21/19/42/1150211942.db2.gz WSJFCEOSSSDMJT-IUODEOHRSA-N 0 3 317.364 2.006 20 30 DEEDHN C=CCCC(=O)NC1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001334753387 1150339084 /nfs/dbraw/zinc/33/90/84/1150339084.db2.gz FBKIFZGRNNFMRE-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001419344080 1168413581 /nfs/dbraw/zinc/41/35/81/1168413581.db2.gz NEGLLOBYWNSXCV-CQSZACIVSA-N 0 3 324.856 2.265 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001331505987 1149491224 /nfs/dbraw/zinc/49/12/24/1149491224.db2.gz YCXMOKQLIRFAOW-AWEZNQCLSA-N 0 3 322.836 2.348 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCN(CC(C)C)CC1 ZINC001342993491 1150647812 /nfs/dbraw/zinc/64/78/12/1150647812.db2.gz OYWIPKIFJQGNGA-HNNXBMFYSA-N 0 3 321.469 2.076 20 30 DEEDHN CC1(CC(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)COC1 ZINC001343442506 1150742010 /nfs/dbraw/zinc/74/20/10/1150742010.db2.gz NWPDHHXVRVXJCT-CYBMUJFWSA-N 0 3 320.776 2.092 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC001574963585 1069310101 /nfs/dbraw/zinc/31/01/01/1069310101.db2.gz WVUFLYDGJNAIMG-IRXDYDNUSA-N 0 3 312.413 2.107 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001343590459 1150754766 /nfs/dbraw/zinc/75/47/66/1150754766.db2.gz OYIQBZBCPBLOMT-MHOHDPQLSA-N 0 3 318.760 2.412 20 30 DEEDHN C#CCN(CC1CC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001343597970 1150755203 /nfs/dbraw/zinc/75/52/03/1150755203.db2.gz BIPDDXDSZCGJPO-SFHVURJKSA-N 0 3 311.429 2.316 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)C[C@H](C)C#N ZINC001343699162 1150764781 /nfs/dbraw/zinc/76/47/81/1150764781.db2.gz XNBGBIHIILMRKF-HUUCEWRRSA-N 0 3 316.453 2.259 20 30 DEEDHN Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H](C#N)C2)cc(Cl)n1 ZINC001522743448 1069451360 /nfs/dbraw/zinc/45/13/60/1069451360.db2.gz CBYCTBBNBVTXAW-AAEUAGOBSA-N 0 3 306.797 2.196 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001523321883 1069629612 /nfs/dbraw/zinc/62/96/12/1069629612.db2.gz CUFVFMITDPMULN-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)CCC2CCCC2)CC1 ZINC001328509769 1148803814 /nfs/dbraw/zinc/80/38/14/1148803814.db2.gz NFMOEZKUOWTFEW-UHFFFAOYSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(CC)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001350892633 1151421207 /nfs/dbraw/zinc/42/12/07/1151421207.db2.gz SZWDIYDLUPEYGS-UHFFFAOYSA-N 0 3 315.461 2.277 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCCc2nc(C)no2)[C@H](C)C1 ZINC001328238280 1148748607 /nfs/dbraw/zinc/74/86/07/1148748607.db2.gz DBSQDCGDGCOEQD-HIFRSBDPSA-N 0 3 320.437 2.246 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cccc(OCC(F)F)n1 ZINC001526586665 1070314667 /nfs/dbraw/zinc/31/46/67/1070314667.db2.gz AELNHINCLFUHBG-JTQLQIEISA-N 0 3 320.299 2.432 20 30 DEEDHN C#CCOC[C@H](O)CNCc1cccc(C(F)(F)F)c1Cl ZINC001251887347 1142532992 /nfs/dbraw/zinc/53/29/92/1142532992.db2.gz AFQCZJPGAGSUHQ-LLVKDONJSA-N 0 3 321.726 2.459 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001328780260 1148834406 /nfs/dbraw/zinc/83/44/06/1148834406.db2.gz LXNAQFGFLRMZPO-ZIAGYGMSSA-N 0 3 316.449 2.257 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2nccnc2C)C1 ZINC001328861718 1148842703 /nfs/dbraw/zinc/84/27/03/1148842703.db2.gz VNOFOYQOQUYOFG-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001531199838 1071457096 /nfs/dbraw/zinc/45/70/96/1071457096.db2.gz CNXITBOADIDSLF-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN Cc1cccc(OCCN2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)c1 ZINC001500197944 1058579766 /nfs/dbraw/zinc/57/97/66/1058579766.db2.gz NLSRXDYYOYAKKN-QAPCUYQASA-N 0 3 315.417 2.114 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001500295422 1058672202 /nfs/dbraw/zinc/67/22/02/1058672202.db2.gz KNQUOYRIIVBFGQ-LJQANCHMSA-N 0 3 315.461 2.275 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001500302138 1058675324 /nfs/dbraw/zinc/67/53/24/1058675324.db2.gz OZGJMTKHZBYYRR-JTQLQIEISA-N 0 3 300.271 2.341 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(C)CCN([C@@H](CC)C(N)=O)CC1 ZINC001500427176 1058773089 /nfs/dbraw/zinc/77/30/89/1058773089.db2.gz MNSHGJRIPFNKCW-AWEZNQCLSA-N 0 3 323.481 2.071 20 30 DEEDHN C=CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cnn[n-]2)C1 ZINC001500504887 1058865993 /nfs/dbraw/zinc/86/59/93/1058865993.db2.gz DZDHMTOWTZMKFF-KRWDZBQOSA-N 0 3 319.453 2.383 20 30 DEEDHN C=CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cnn[n-]2)C1 ZINC001500504887 1058866019 /nfs/dbraw/zinc/86/60/19/1058866019.db2.gz DZDHMTOWTZMKFF-KRWDZBQOSA-N 0 3 319.453 2.383 20 30 DEEDHN C=CCCc1ccc(S(=O)(=O)NCCN(C)C(C)C)cc1 ZINC001463531121 1058989134 /nfs/dbraw/zinc/98/91/34/1058989134.db2.gz XWEHXXMLXRLVOP-UHFFFAOYSA-N 0 3 310.463 2.424 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001500689105 1059015229 /nfs/dbraw/zinc/01/52/29/1059015229.db2.gz BMSWXOKLHKCHJY-IBGZPJMESA-N 0 3 316.445 2.337 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001500732434 1059046855 /nfs/dbraw/zinc/04/68/55/1059046855.db2.gz ILBOISDQUJNZJV-SJLPKXTDSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccsc2Cl)C1 ZINC001500736887 1059050533 /nfs/dbraw/zinc/05/05/33/1059050533.db2.gz ZIZVSRILAVICPE-AWEZNQCLSA-N 0 3 314.838 2.144 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccnn1C)C2 ZINC001501007934 1059197682 /nfs/dbraw/zinc/19/76/82/1059197682.db2.gz OKFGABVLCPVZAT-DZKIICNBSA-N 0 3 316.449 2.101 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001501046903 1059230670 /nfs/dbraw/zinc/23/06/70/1059230670.db2.gz IKZWBPNNYXBLKN-UONOGXRCSA-N 0 3 305.447 2.129 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001329026934 1148858673 /nfs/dbraw/zinc/85/86/73/1148858673.db2.gz JRZCUVCPVMMTEE-IAGOWNOFSA-N 0 3 323.440 2.482 20 30 DEEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)C(F)F)CC1 ZINC001501199764 1059369731 /nfs/dbraw/zinc/36/97/31/1059369731.db2.gz BRWMEGYSOWBLNT-UHFFFAOYSA-N 0 3 309.360 2.326 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001501578799 1059554496 /nfs/dbraw/zinc/55/44/96/1059554496.db2.gz PIDNMSILIBOWDR-ZNMIVQPWSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(C(C)=O)cc1 ZINC001467727432 1059690815 /nfs/dbraw/zinc/69/08/15/1059690815.db2.gz GEXGALOUEOGDPU-UHFFFAOYSA-N 0 3 302.418 2.398 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCCC2(C)C)CCC1 ZINC001501991545 1059840754 /nfs/dbraw/zinc/84/07/54/1059840754.db2.gz JEAVJUDARKZLIZ-OAHLLOKOSA-N 0 3 306.450 2.091 20 30 DEEDHN CC1(C)CCCN1CCNC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001468934586 1059877748 /nfs/dbraw/zinc/87/77/48/1059877748.db2.gz ASPZESQCUBZKOE-TWGQIWQCSA-N 0 3 318.392 2.399 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@H](CC)CCCC)CCO1 ZINC001502067091 1059905370 /nfs/dbraw/zinc/90/53/70/1059905370.db2.gz VBGZLKVJGBVNNI-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@H](CC)CCCC)CCO1 ZINC001502067089 1059905952 /nfs/dbraw/zinc/90/59/52/1059905952.db2.gz VBGZLKVJGBVNNI-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C[C@H](CC(=O)N1CCO[C@@H](CNCCF)C1)c1ccccc1 ZINC001502094111 1059925964 /nfs/dbraw/zinc/92/59/64/1059925964.db2.gz APSAWAKBQCUYFL-WBVHZDCISA-N 0 3 320.408 2.133 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502113878 1059950961 /nfs/dbraw/zinc/95/09/61/1059950961.db2.gz UEQHVNDUCXWAKK-RHSMWYFYSA-N 0 3 310.401 2.189 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C(C)(C)CC(C)C ZINC001502388880 1060101334 /nfs/dbraw/zinc/10/13/34/1060101334.db2.gz MQJARMCQAMDTMO-UHFFFAOYSA-N 0 3 310.482 2.489 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001502543969 1060173461 /nfs/dbraw/zinc/17/34/61/1060173461.db2.gz QRNOETXBTVVLLK-IBGZPJMESA-N 0 3 318.461 2.307 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cncc(F)c2)C1 ZINC001502734562 1060257900 /nfs/dbraw/zinc/25/79/00/1060257900.db2.gz HNLFJBGCSXXUCA-PBHICJAKSA-N 0 3 317.408 2.351 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CN(CCC(=C)C)C2)CC1 ZINC001502845650 1060353376 /nfs/dbraw/zinc/35/33/76/1060353376.db2.gz NKZDBTLLVFPQJZ-QGZVFWFLSA-N 0 3 319.493 2.383 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1c(C)ccn1C ZINC001505427670 1060576721 /nfs/dbraw/zinc/57/67/21/1060576721.db2.gz MXKFNVWMHPARRP-INIZCTEOSA-N 0 3 319.449 2.073 20 30 DEEDHN COc1cc(OC)c2ncc(C#N)c(NCC#CCN(C)C)c2c1 ZINC001472850427 1060595661 /nfs/dbraw/zinc/59/56/61/1060595661.db2.gz YFHXCZUOFRMCGS-UHFFFAOYSA-N 0 3 324.384 2.101 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cscn1 ZINC001505575580 1060730931 /nfs/dbraw/zinc/73/09/31/1060730931.db2.gz PHNULLGCDWMPSJ-KBPBESRZSA-N 0 3 313.426 2.291 20 30 DEEDHN C#CCCCC(=O)N(C)CC(C)(C)CN[C@@H](C)c1cnccn1 ZINC001505809994 1060989317 /nfs/dbraw/zinc/98/93/17/1060989317.db2.gz XGBJOTMYCGUTTG-HNNXBMFYSA-N 0 3 316.449 2.415 20 30 DEEDHN Cc1c(C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)ccn1C ZINC001505996969 1061238901 /nfs/dbraw/zinc/23/89/01/1061238901.db2.gz SAFCCLSBDPFIDC-AWEZNQCLSA-N 0 3 324.428 2.456 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC001479323075 1061393915 /nfs/dbraw/zinc/39/39/15/1061393915.db2.gz YWTSMRHDUXVDAJ-KSZLIROESA-N 0 3 308.425 2.323 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCOC(C)C)C1 ZINC001479434800 1061455344 /nfs/dbraw/zinc/45/53/44/1061455344.db2.gz FPJGIRKJVDSYKH-UONOGXRCSA-N 0 3 302.846 2.429 20 30 DEEDHN Cc1nocc1CN[C@@H]1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001479449103 1061461131 /nfs/dbraw/zinc/46/11/31/1061461131.db2.gz NSSDVQZJNQACSH-GOEBONIOSA-N 0 3 303.406 2.017 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cccc1 ZINC001479612921 1061519164 /nfs/dbraw/zinc/51/91/64/1061519164.db2.gz LJRKVCPFJGGNMA-BPQIPLTHSA-N 0 3 313.445 2.117 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCCc2nc(CC)no2)[C@H]1CC ZINC001479646778 1061554286 /nfs/dbraw/zinc/55/42/86/1061554286.db2.gz MUNAIXJSJLFGIE-UONOGXRCSA-N 0 3 320.437 2.110 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCCC[C@H](NCC(=O)N(C)C)C1 ZINC001479687966 1061600424 /nfs/dbraw/zinc/60/04/24/1061600424.db2.gz NXWQSFOYRJYREP-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCC(=O)N(C)CC)C1 ZINC001479690769 1061603005 /nfs/dbraw/zinc/60/30/05/1061603005.db2.gz SYNQGEALRGBCRD-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(CCOC2CCCCCC2)[C@@H]1C ZINC001479701698 1061618126 /nfs/dbraw/zinc/61/81/26/1061618126.db2.gz MKSDKHZNNKCOLS-INMHGKMJSA-N 0 3 321.465 2.464 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2nc(C(C)C)no2)[C@H]1C ZINC001479714209 1061633367 /nfs/dbraw/zinc/63/33/67/1061633367.db2.gz JTLAFAGNPCFJHV-KGLIPLIRSA-N 0 3 320.437 2.281 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cccc(Cl)c1 ZINC001479809219 1061820586 /nfs/dbraw/zinc/82/05/86/1061820586.db2.gz HYLCEDOFSRYBKZ-UHFFFAOYSA-N 0 3 308.809 2.042 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccnn1C ZINC001479825689 1061845451 /nfs/dbraw/zinc/84/54/51/1061845451.db2.gz VZMDRDSCUKROEM-NVXWUHKLSA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001479936648 1062063258 /nfs/dbraw/zinc/06/32/58/1062063258.db2.gz LQNKWISDALBCKZ-IAGOWNOFSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001479947360 1062080261 /nfs/dbraw/zinc/08/02/61/1062080261.db2.gz ZITOOPZYXLFYSZ-HUUCEWRRSA-N 0 3 322.474 2.462 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1sc(C)cc1OC ZINC001327270032 1148507671 /nfs/dbraw/zinc/50/76/71/1148507671.db2.gz DNEVLHMUJFBRSG-UHFFFAOYSA-N 0 3 308.447 2.482 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CCC)OCC)CC1 ZINC001479984297 1062145516 /nfs/dbraw/zinc/14/55/16/1062145516.db2.gz RSMTVPVBHXQMFL-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN1CCC(N(CCC)C(=O)C(F)F)CC1 ZINC001479989637 1062153126 /nfs/dbraw/zinc/15/31/26/1062153126.db2.gz IUBRBQMWQMZVDZ-UHFFFAOYSA-N 0 3 304.381 2.157 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(Cc2ccc3c(c2)CCC3)C1 ZINC001506599955 1062176721 /nfs/dbraw/zinc/17/67/21/1062176721.db2.gz JZZNUTCEMQBWGW-UONOGXRCSA-N 0 3 311.429 2.271 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](N[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001480024904 1062205791 /nfs/dbraw/zinc/20/57/91/1062205791.db2.gz OKQBXAWWWLWVDY-BXUZGUMPSA-N 0 3 305.426 2.015 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C2CN(CCOC(C)C)C2)cc1 ZINC001506640857 1062224324 /nfs/dbraw/zinc/22/43/24/1062224324.db2.gz RXESLUHQWZJULR-HNNXBMFYSA-N 0 3 314.429 2.143 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](NCc2cccnc2)C1 ZINC001480113892 1062342788 /nfs/dbraw/zinc/34/27/88/1062342788.db2.gz RHZIVYZXXOEJHG-WMZOPIPTSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cscn2)C(C)(C)C1 ZINC001506752419 1062366073 /nfs/dbraw/zinc/36/60/73/1062366073.db2.gz IFEDLAHNMCGNFY-CQSZACIVSA-N 0 3 307.463 2.478 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C)nc3C)C[C@H]21 ZINC001506776616 1062386909 /nfs/dbraw/zinc/38/69/09/1062386909.db2.gz RDPQLLRMVVUOTJ-NNZMDNLPSA-N 0 3 313.445 2.459 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)C3CC3)[C@@H]2C1 ZINC001506803477 1062400943 /nfs/dbraw/zinc/40/09/43/1062400943.db2.gz SZCUZHMBFRPCNO-AKHDSKFASA-N 0 3 308.425 2.107 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@H](C)NCc2cnc(C)s2)C1 ZINC001506837444 1062421793 /nfs/dbraw/zinc/42/17/93/1062421793.db2.gz PLGHIDYWDZUEAV-SWLSCSKDSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]2CN(CC#CCOC)CC[C@H]21 ZINC001480186442 1062439627 /nfs/dbraw/zinc/43/96/27/1062439627.db2.gz NGDOQLYTLUNDMQ-ZWKOTPCHSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)/C(C)=C/C)C1 ZINC001506881849 1062465481 /nfs/dbraw/zinc/46/54/81/1062465481.db2.gz VYUBVKIMNFPSJQ-OUEWCOEUSA-N 0 3 301.228 2.346 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](CNCc2ncc(C)s2)C1 ZINC001506885525 1062472213 /nfs/dbraw/zinc/47/22/13/1062472213.db2.gz JAEIHXJBNHUBCW-HDJSIYSDSA-N 0 3 305.447 2.239 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCc3cc(C)ncn3)C2)CCC1 ZINC001480222776 1062482917 /nfs/dbraw/zinc/48/29/17/1062482917.db2.gz XBACKFRDGDEWNB-GASCZTMLSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1CCn1cccn1 ZINC001480324792 1062651914 /nfs/dbraw/zinc/65/19/14/1062651914.db2.gz POZIGYJXRMEEMU-DLBZAZTESA-N 0 3 318.465 2.456 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)COc1cccc(C)c1 ZINC001480330574 1062664022 /nfs/dbraw/zinc/66/40/22/1062664022.db2.gz NHIPDPUJDRHWSL-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2csc(CC)n2)C1 ZINC001480385321 1062768247 /nfs/dbraw/zinc/76/82/47/1062768247.db2.gz CGIFHPAZIYSNPI-KBPBESRZSA-N 0 3 319.474 2.098 20 30 DEEDHN CC[C@H](SC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480445208 1062871393 /nfs/dbraw/zinc/87/13/93/1062871393.db2.gz ALGWHNIFPMLAOS-GWCFXTLKSA-N 0 3 311.476 2.356 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)CCc1ccccc1C ZINC001507124329 1062879017 /nfs/dbraw/zinc/87/90/17/1062879017.db2.gz HTXPMZPRFBRDCC-QGZVFWFLSA-N 0 3 316.445 2.014 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001507278757 1063025045 /nfs/dbraw/zinc/02/50/45/1063025045.db2.gz RKHOJHBLYKEMCG-IEBWSBKVSA-N 0 3 308.425 2.421 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2nc(Cl)sc2C)C1 ZINC001507314719 1063081921 /nfs/dbraw/zinc/08/19/21/1063081921.db2.gz FTPJOQKVSOXLMS-GXSJLCMTSA-N 0 3 311.838 2.321 20 30 DEEDHN COc1ccc(C)cc1CN[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001480614458 1063105331 /nfs/dbraw/zinc/10/53/31/1063105331.db2.gz BYTMVYLUWGXMLD-KRWDZBQOSA-N 0 3 314.429 2.354 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CCc3ccco3)CCC[C@@H]12 ZINC001507334321 1063111941 /nfs/dbraw/zinc/11/19/41/1063111941.db2.gz 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CCC[C@H](OC)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498355996 1066651248 /nfs/dbraw/zinc/65/12/48/1066651248.db2.gz LJUUBLIAAWGUEY-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001577052905 1066754327 /nfs/dbraw/zinc/75/43/27/1066754327.db2.gz RPAXWEYBMAVLEO-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCN1[C@@H](CC)c1ccccc1 ZINC001498976872 1066996324 /nfs/dbraw/zinc/99/63/24/1066996324.db2.gz GFBXUMLQWKSGEZ-ROUUACIJSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(NC(=O)NC)cc1 ZINC001635761551 1078458500 /nfs/dbraw/zinc/45/85/00/1078458500.db2.gz BSOROXNWVNHVRL-UHFFFAOYSA-N 0 3 318.421 2.018 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccnc2ccncc21 ZINC001499025650 1067036145 /nfs/dbraw/zinc/03/61/45/1067036145.db2.gz JULDAZSTXISUIY-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC001499131936 1067110695 /nfs/dbraw/zinc/11/06/95/1067110695.db2.gz 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RTWNWIZIUBQDKH-CHWSQXEVSA-N 0 3 309.312 2.321 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@H]2CC2(C)C)c1 ZINC001560028844 1075130865 /nfs/dbraw/zinc/13/08/65/1075130865.db2.gz FWGFPGKYBDJCNY-CQSZACIVSA-N 0 3 313.401 2.294 20 30 DEEDHN C=C(C)CONC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001565008662 1075175936 /nfs/dbraw/zinc/17/59/36/1075175936.db2.gz XZFKAPWOKGZFQO-SJORKVTESA-N 0 3 315.417 2.410 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001565821375 1075188748 /nfs/dbraw/zinc/18/87/48/1075188748.db2.gz JRAUYFPPWCNPPT-LUKYLMHMSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1c(C)nn(CC)c1C ZINC001565831490 1075192144 /nfs/dbraw/zinc/19/21/44/1075192144.db2.gz IENXSKGUSGEAML-MRXNPFEDSA-N 0 3 318.465 2.171 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001565874555 1075202241 /nfs/dbraw/zinc/20/22/41/1075202241.db2.gz QFMSZOZOMRNKJS-SHTZXODSSA-N 0 3 316.449 2.372 20 30 DEEDHN CCc1nocc1CN[C@@H]1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001565894932 1075204060 /nfs/dbraw/zinc/20/40/60/1075204060.db2.gz YPGBYEJOKDXMEN-GOEBONIOSA-N 0 3 315.417 2.025 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cnn(C)c1 ZINC001565931766 1075207180 /nfs/dbraw/zinc/20/71/80/1075207180.db2.gz VZVSRURRWCHFHB-DOMZBBRYSA-N 0 3 324.856 2.393 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1[C@H]2CCCN(CC#CC)[C@H]2C1(C)C ZINC001565995220 1075214740 /nfs/dbraw/zinc/21/47/40/1075214740.db2.gz POFOSILRZAAOAY-KBAYOESNSA-N 0 3 318.461 2.208 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccc(C)cc2F)C1 ZINC001566036210 1075219671 /nfs/dbraw/zinc/21/96/71/1075219671.db2.gz WYFGSLRGHWIYQL-OAHLLOKOSA-N 0 3 320.408 2.219 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1C ZINC001566112676 1075230459 /nfs/dbraw/zinc/23/04/59/1075230459.db2.gz BYNAFMIHTRNESG-WBVHZDCISA-N 0 3 319.449 2.037 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001566127603 1075233874 /nfs/dbraw/zinc/23/38/74/1075233874.db2.gz CSHUMIPQZAJODH-HNNXBMFYSA-N 0 3 318.417 2.150 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(F)cc2cccnc21 ZINC001566496309 1075261602 /nfs/dbraw/zinc/26/16/02/1075261602.db2.gz PCHQFBKQNYNGGT-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)C[C@@H](F)CC)nc1 ZINC001566572855 1075285983 /nfs/dbraw/zinc/28/59/83/1075285983.db2.gz IGEGIMJRZZDRAG-HNNXBMFYSA-N 0 3 305.397 2.253 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCc2ccsc2)CC1 ZINC001566689123 1075318719 /nfs/dbraw/zinc/31/87/19/1075318719.db2.gz HDMPQUDOPUGMBR-HNNXBMFYSA-N 0 3 302.443 2.285 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@H]1CCOC1 ZINC001267706009 1079392354 /nfs/dbraw/zinc/39/23/54/1079392354.db2.gz XANXBOSBHLCPRI-ULQDDVLXSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001566851826 1075362306 /nfs/dbraw/zinc/36/23/06/1075362306.db2.gz BPTPRRRAXOQDNQ-TYNCELHUSA-N 0 3 308.451 2.186 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2cccc3cnccc32)C1 ZINC001566872296 1075369799 /nfs/dbraw/zinc/36/97/99/1075369799.db2.gz VZTWNLSYLKSFGW-MRXNPFEDSA-N 0 3 321.424 2.239 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001566877672 1075371378 /nfs/dbraw/zinc/37/13/78/1075371378.db2.gz CRYZUNNFJLWNRX-JKSUJKDBSA-N 0 3 302.418 2.310 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](CNCc2cnc(C)cn2)C1 ZINC001566893552 1075375903 /nfs/dbraw/zinc/37/59/03/1075375903.db2.gz JXKHVAYYFZMBQW-MRXNPFEDSA-N 0 3 316.449 2.470 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCOC(C)C ZINC001566955810 1075398055 /nfs/dbraw/zinc/39/80/55/1075398055.db2.gz QLHXPCBGVDOPTC-DLBZAZTESA-N 0 3 306.450 2.280 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001566959568 1075400901 /nfs/dbraw/zinc/40/09/01/1075400901.db2.gz FKOXXFAAAHZDHA-WMZOPIPTSA-N 0 3 313.445 2.458 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)CC2(C)CC2)C1 ZINC001566962919 1075402049 /nfs/dbraw/zinc/40/20/49/1075402049.db2.gz NMJSBNUGQIFEJL-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001567200019 1075461690 /nfs/dbraw/zinc/46/16/90/1075461690.db2.gz PCJIZDUCPXNROA-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN[C@@H](C)c1ccccc1Cl ZINC001481229296 1079437767 /nfs/dbraw/zinc/43/77/67/1079437767.db2.gz QNTFPOARHRXHOA-UONOGXRCSA-N 0 3 322.836 2.487 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC001267744882 1079443978 /nfs/dbraw/zinc/44/39/78/1079443978.db2.gz ONEBBAFQYVYUAY-CQSZACIVSA-N 0 3 321.808 2.045 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001267754822 1079456379 /nfs/dbraw/zinc/45/63/79/1079456379.db2.gz WASQNMODODPXQA-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001267768523 1079472859 /nfs/dbraw/zinc/47/28/59/1079472859.db2.gz OVNMVDVUCGXBSB-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CC)CNC(=O)CN(C)CCC)CC1 ZINC001582517827 1076157202 /nfs/dbraw/zinc/15/72/02/1076157202.db2.gz HWOWHIIZKJIDBY-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(NC(=O)CN(C)C(C)C)C1 ZINC001585870471 1076375309 /nfs/dbraw/zinc/37/53/09/1076375309.db2.gz MIJBCEGADHRRMV-MAUKXSAKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(C)(C)C[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588578225 1076454892 /nfs/dbraw/zinc/45/48/92/1076454892.db2.gz ZDZFMROVQJEWOW-OAHLLOKOSA-N 0 3 315.421 2.482 20 30 DEEDHN C=CCCC(C)(C)C[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588578225 1076454893 /nfs/dbraw/zinc/45/48/93/1076454893.db2.gz ZDZFMROVQJEWOW-OAHLLOKOSA-N 0 3 315.421 2.482 20 30 DEEDHN C=CCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001588657585 1076459342 /nfs/dbraw/zinc/45/93/42/1076459342.db2.gz QKRCBGFBIDDWNI-UHFFFAOYSA-N 0 3 303.341 2.035 20 30 DEEDHN N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001592672891 1076950436 /nfs/dbraw/zinc/95/04/36/1076950436.db2.gz PHTGAVISGBEELL-DOMZBBRYSA-N 0 3 323.404 2.133 20 30 DEEDHN N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001592672891 1076950439 /nfs/dbraw/zinc/95/04/39/1076950439.db2.gz PHTGAVISGBEELL-DOMZBBRYSA-N 0 3 323.404 2.133 20 30 DEEDHN C=CC1CC[NH+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609053030 1077750088 /nfs/dbraw/zinc/75/00/88/1077750088.db2.gz ZRLHRMCJNNIWFT-UHFFFAOYSA-N 0 3 314.349 2.173 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2ccn(CC)n2)C1 ZINC001484329753 1079544280 /nfs/dbraw/zinc/54/42/80/1079544280.db2.gz AAOGPKQPIVEBPU-GJZGRUSLSA-N 0 3 304.438 2.196 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CSCC#N)cc1 ZINC001272683043 1079610375 /nfs/dbraw/zinc/61/03/75/1079610375.db2.gz NSVJWZZUEVNAMW-AWEZNQCLSA-N 0 3 315.442 2.233 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2CC#CC)OCC ZINC001484460621 1079620698 /nfs/dbraw/zinc/62/06/98/1079620698.db2.gz PUUFXZCDWDARHB-KSZLIROESA-N 0 3 318.461 2.446 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2CC#CC)OCC ZINC001484460622 1079620770 /nfs/dbraw/zinc/62/07/70/1079620770.db2.gz PUUFXZCDWDARHB-KURKYZTESA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC001484469082 1079623595 /nfs/dbraw/zinc/62/35/95/1079623595.db2.gz KVWZJTMBARACRB-GOEBONIOSA-N 0 3 320.458 2.487 20 30 DEEDHN C#CCNCCN(CCO)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001484501835 1079632054 /nfs/dbraw/zinc/63/20/54/1079632054.db2.gz LAUYQAQTPXDUOQ-UHFFFAOYSA-N 0 3 322.493 2.273 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CCNCc2ccn(CC)n2)C1 ZINC001484512323 1079637437 /nfs/dbraw/zinc/63/74/37/1079637437.db2.gz FCZJZVPLSKRNEQ-HNNXBMFYSA-N 0 3 304.438 2.197 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](CCNCc2cc(F)ccc2F)C1 ZINC001484514332 1079637679 /nfs/dbraw/zinc/63/76/79/1079637679.db2.gz YWHHILGKIOZZJR-STQMWFEESA-N 0 3 321.371 2.453 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)Cn2ccnc2C)cc1 ZINC001484561413 1079660373 /nfs/dbraw/zinc/66/03/73/1079660373.db2.gz BHNZCJKJMOHTCH-HNNXBMFYSA-N 0 3 324.428 2.182 20 30 DEEDHN C=C(C)CCC(=O)NCc1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1 ZINC001484560359 1079660984 /nfs/dbraw/zinc/66/09/84/1079660984.db2.gz YTTPWIKIDAEGFQ-KBPBESRZSA-N 0 3 317.433 2.184 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)[C@@H](F)CC)cccc2C1 ZINC001484612847 1079681101 /nfs/dbraw/zinc/68/11/01/1079681101.db2.gz RCEHOGRJJZWFEQ-KRWDZBQOSA-N 0 3 302.393 2.432 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2ccc(F)cc2)CCC1 ZINC001484649074 1079707634 /nfs/dbraw/zinc/70/76/34/1079707634.db2.gz FVPSLWTURQRLGX-UHFFFAOYSA-N 0 3 318.392 2.246 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2cc(C)c(C)cc2Cl)CCO1 ZINC001484688869 1079727272 /nfs/dbraw/zinc/72/72/72/1079727272.db2.gz ODZWQAJJSNPQLC-CQSZACIVSA-N 0 3 320.820 2.021 20 30 DEEDHN Cc1noc(C)c1CN1CCC[C@H](NC(=O)C#CC2CC2)CC1 ZINC001484713944 1079737702 /nfs/dbraw/zinc/73/77/02/1079737702.db2.gz NCEDXYMIMBKCAW-INIZCTEOSA-N 0 3 315.417 2.176 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001484749085 1079778748 /nfs/dbraw/zinc/77/87/48/1079778748.db2.gz XTJBFMCDULWQJJ-UHFFFAOYSA-N 0 3 304.438 2.124 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CCOC)CC1)C2 ZINC001484826409 1079807075 /nfs/dbraw/zinc/80/70/75/1079807075.db2.gz ABSJNDVUMKEEKJ-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001484826495 1079807176 /nfs/dbraw/zinc/80/71/76/1079807176.db2.gz AUBUITXJZWEFTD-CUGXLUPKSA-N 0 3 324.852 2.092 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](CCNC(=O)CC)C1 ZINC001481415551 1079810400 /nfs/dbraw/zinc/81/04/00/1079810400.db2.gz ZHPXLNCEXFCZSE-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001484855745 1079826078 /nfs/dbraw/zinc/82/60/78/1079826078.db2.gz LLJLIQDEVANBBT-IBGZPJMESA-N 0 3 320.477 2.169 20 30 DEEDHN CC[C@H]1CC[C@@H](C(=O)N(C)CCNCc2ccc(C#N)cc2)O1 ZINC001493567834 1079867649 /nfs/dbraw/zinc/86/76/49/1079867649.db2.gz OFHNDUNWGWMOEZ-IRXDYDNUSA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccc(F)cc2)C[C@H]1C ZINC001484984534 1079898181 /nfs/dbraw/zinc/89/81/81/1079898181.db2.gz ZUEKQFVACFBEAV-PBHICJAKSA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001485021341 1079916743 /nfs/dbraw/zinc/91/67/43/1079916743.db2.gz YYXJPCJVRWVZOJ-IRXDYDNUSA-N 0 3 320.477 2.169 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001485025280 1079920874 /nfs/dbraw/zinc/92/08/74/1079920874.db2.gz VYYMZXFSOYYNKF-OAHLLOKOSA-N 0 3 320.433 2.211 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001653285791 1079923723 /nfs/dbraw/zinc/92/37/23/1079923723.db2.gz WPLNKGUZHQRFCP-CQSZACIVSA-N 0 3 309.325 2.429 20 30 DEEDHN C#CCOCCN1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001653542095 1079933047 /nfs/dbraw/zinc/93/30/47/1079933047.db2.gz JGDDRAFXBVDCQL-DLBZAZTESA-N 0 3 322.449 2.359 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001485053770 1079940460 /nfs/dbraw/zinc/94/04/60/1079940460.db2.gz CJOVRFODVDNQLT-NCOADZHNSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001481499016 1079956730 /nfs/dbraw/zinc/95/67/30/1079956730.db2.gz UQRPXBPSJGXRNS-INIZCTEOSA-N 0 3 316.449 2.422 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCCN(CCC[C@H]2CCOC2)C1 ZINC001481525566 1079999528 /nfs/dbraw/zinc/99/95/28/1079999528.db2.gz RPFMXRAUWRLLOK-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCOc2cccc(C)c2)C1 ZINC001481530906 1080008657 /nfs/dbraw/zinc/00/86/57/1080008657.db2.gz XYSMWYKLQBCENJ-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001485153172 1080017887 /nfs/dbraw/zinc/01/78/87/1080017887.db2.gz PUSQFIQDEQEMSN-QWHCGFSZSA-N 0 3 321.469 2.441 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@H](C)c1ccccc1C ZINC001268100458 1080073085 /nfs/dbraw/zinc/07/30/85/1080073085.db2.gz WUXSGGBJVHPYPC-IAGOWNOFSA-N 0 3 316.445 2.185 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@]1(C)CCOC1 ZINC001485262159 1080095935 /nfs/dbraw/zinc/09/59/35/1080095935.db2.gz GSTXLAOJAFQJHX-HNNXBMFYSA-N 0 3 302.846 2.240 20 30 DEEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1CCNCc1cnns1 ZINC001268156755 1080130379 /nfs/dbraw/zinc/13/03/79/1080130379.db2.gz QNIWPZGCRYJGCH-CQSZACIVSA-N 0 3 320.462 2.058 20 30 DEEDHN C=CCCC(=O)NCC1CN(C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC001481614795 1080143926 /nfs/dbraw/zinc/14/39/26/1080143926.db2.gz ILCUFJSOZCIPRF-CRAIPNDOSA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC001656979765 1080143970 /nfs/dbraw/zinc/14/39/70/1080143970.db2.gz QWOYBGCBWYEUTO-CVEARBPZSA-N 0 3 317.433 2.094 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)[C@H]1C ZINC001657035336 1080148243 /nfs/dbraw/zinc/14/82/43/1080148243.db2.gz AFKHRPRRBQMYFL-OAGGEKHMSA-N 0 3 304.438 2.216 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1occc1Cl ZINC001485347454 1080158004 /nfs/dbraw/zinc/15/80/04/1080158004.db2.gz JEZJRZZLYAJWEK-NSHDSACASA-N 0 3 300.786 2.186 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C)C2(C)CC2)c1 ZINC001657519039 1080177222 /nfs/dbraw/zinc/17/72/22/1080177222.db2.gz IOTIASZBLWFPHJ-CYBMUJFWSA-N 0 3 313.401 2.436 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001268254804 1080234310 /nfs/dbraw/zinc/23/43/10/1080234310.db2.gz ZPUYUCQAYCTDLO-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)CCCC3CC3)CC[C@@H]21 ZINC001268264856 1080242437 /nfs/dbraw/zinc/24/24/37/1080242437.db2.gz HMIOUSLHJDYEPF-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001485535626 1080289748 /nfs/dbraw/zinc/28/97/48/1080289748.db2.gz PMKDNBMLVFULPZ-ZDUSSCGKSA-N 0 3 312.417 2.118 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCn2cccn2)C(C)(C)C1 ZINC001485580180 1080311544 /nfs/dbraw/zinc/31/15/44/1080311544.db2.gz CJPNNRZQAMNWFS-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001485585005 1080315011 /nfs/dbraw/zinc/31/50/11/1080315011.db2.gz GBGFBPRJSQYPMG-PHZGNYQRSA-N 0 3 300.402 2.266 20 30 DEEDHN C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001485585005 1080315018 /nfs/dbraw/zinc/31/50/18/1080315018.db2.gz GBGFBPRJSQYPMG-PHZGNYQRSA-N 0 3 300.402 2.266 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001481705398 1080328148 /nfs/dbraw/zinc/32/81/48/1080328148.db2.gz DDSAWBZOUKWVNF-MAUKXSAKSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cncn1C ZINC001660433540 1080331889 /nfs/dbraw/zinc/33/18/89/1080331889.db2.gz UIWJOCAVCXERIU-ZBFHGGJFSA-N 0 3 304.438 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H](C)c2ccccc2OC)C1 ZINC001481708342 1080335186 /nfs/dbraw/zinc/33/51/86/1080335186.db2.gz BZUQPRRVEQTWJQ-JKSUJKDBSA-N 0 3 314.429 2.403 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001485691649 1080360273 /nfs/dbraw/zinc/36/02/73/1080360273.db2.gz RXTDYPHOYJZIRD-JOCQHMNTSA-N 0 3 310.829 2.315 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCCNC(=O)C(C)(C)C)CC1 ZINC001660784274 1080396609 /nfs/dbraw/zinc/39/66/09/1080396609.db2.gz QWMXOGXMCAOWKG-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001661069024 1080437529 /nfs/dbraw/zinc/43/75/29/1080437529.db2.gz RJMVOCIFXMGLQT-NEPJUHHUSA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cnn3c2CCC3)CC1 ZINC001661090396 1080440446 /nfs/dbraw/zinc/44/04/46/1080440446.db2.gz RJSCWFPEHFVEOF-UHFFFAOYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCn2cc(Cl)cn2)C1 ZINC001481753461 1080440992 /nfs/dbraw/zinc/44/09/92/1080440992.db2.gz VQTLBIZSRAMPGR-AWEZNQCLSA-N 0 3 310.829 2.035 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3cnoc3)C2)C1=O ZINC001272709834 1080467768 /nfs/dbraw/zinc/46/77/68/1080467768.db2.gz LSJZJUAPPLFFHH-GOSISDBHSA-N 0 3 309.369 2.351 20 30 DEEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(CCCc2nc(C)no2)C1 ZINC001481761759 1080475542 /nfs/dbraw/zinc/47/55/42/1080475542.db2.gz OVXBFAHSYIYOSP-OAHLLOKOSA-N 0 3 320.437 2.200 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(=O)C=C(C)C)C1 ZINC001661388816 1080476339 /nfs/dbraw/zinc/47/63/39/1080476339.db2.gz RQVGANDBXSQXKI-WKILWMFISA-N 0 3 313.401 2.270 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cn(C)nc2C(F)F)C1 ZINC001661399060 1080478065 /nfs/dbraw/zinc/47/80/65/1080478065.db2.gz AEQQIHQNFDCKFI-HAQNSBGRSA-N 0 3 312.364 2.061 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001481779008 1080493613 /nfs/dbraw/zinc/49/36/13/1080493613.db2.gz YVEDFUKGZFHIQE-CJNGLKHVSA-N 0 3 316.449 2.076 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc(C)nc2)C1 ZINC001481783185 1080502208 /nfs/dbraw/zinc/50/22/08/1080502208.db2.gz VVCWBYWJLNZGTE-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN CC[C@@H](CNC(=O)CCCOC)NCC#Cc1ccc(F)cc1 ZINC001481791684 1080502999 /nfs/dbraw/zinc/50/29/99/1080502999.db2.gz GMNMTDHFZFROCT-KRWDZBQOSA-N 0 3 320.408 2.088 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)CCOc2ccccc2)C1 ZINC001661747797 1080516331 /nfs/dbraw/zinc/51/63/31/1080516331.db2.gz HTGCBYNAXXJOAV-QGZVFWFLSA-N 0 3 314.429 2.307 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccsn1)NCC#Cc1ccccc1 ZINC001481824642 1080529516 /nfs/dbraw/zinc/52/95/16/1080529516.db2.gz FOCJPEDQOAAGEW-HNNXBMFYSA-N 0 3 313.426 2.293 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCc2ccco2)C1 ZINC001661981804 1080552894 /nfs/dbraw/zinc/55/28/94/1080552894.db2.gz BFRYSQOSFINEIY-JKSUJKDBSA-N 0 3 302.418 2.452 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001662207979 1080584298 /nfs/dbraw/zinc/58/42/98/1080584298.db2.gz TZMUHNVHHUYJIH-QMTHXVAHSA-N 0 3 316.854 2.323 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2cnccc2C)cc1 ZINC001662303048 1080593320 /nfs/dbraw/zinc/59/33/20/1080593320.db2.gz HTHBRYPVTQHUBF-OAHLLOKOSA-N 0 3 307.397 2.279 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001662324613 1080597463 /nfs/dbraw/zinc/59/74/63/1080597463.db2.gz KYOZUHXDWQKQFJ-UONOGXRCSA-N 0 3 322.836 2.188 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)NCc1ncccc1C ZINC001662401072 1080605244 /nfs/dbraw/zinc/60/52/44/1080605244.db2.gz XYHARTCHLNUXHF-MRXNPFEDSA-N 0 3 321.424 2.208 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@](C)(CNCc1cccc(F)c1F)C1CC1 ZINC001481926400 1080617271 /nfs/dbraw/zinc/61/72/71/1080617271.db2.gz YTKHUIMLEHKIFG-GTNSWQLSSA-N 0 3 321.371 2.499 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)s1 ZINC001127714380 1080626405 /nfs/dbraw/zinc/62/64/05/1080626405.db2.gz QBHLTJGZYWFEJM-DVOMOZLQSA-N 0 3 315.442 2.428 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C1CCC(C2CC2)CC1 ZINC001268494884 1080629913 /nfs/dbraw/zinc/62/99/13/1080629913.db2.gz SREUOWUDBNGHTG-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2C)C1 ZINC001662868457 1080669197 /nfs/dbraw/zinc/66/91/97/1080669197.db2.gz WTINGAVHJNEBBR-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)Cc1c[nH]cn1 ZINC001663108814 1080701551 /nfs/dbraw/zinc/70/15/51/1080701551.db2.gz HVAAKMVAWJRVCO-AWEZNQCLSA-N 0 3 310.829 2.066 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc3c[nH]ccc-3n2)cc1 ZINC001482032052 1080713237 /nfs/dbraw/zinc/71/32/37/1080713237.db2.gz KYCYISUGIZPEFE-UHFFFAOYSA-N 0 3 318.380 2.216 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc(C)c2c1CCC2 ZINC001663342333 1080733613 /nfs/dbraw/zinc/73/36/13/1080733613.db2.gz MZCHAJBUEPAQCL-UHFFFAOYSA-N 0 3 316.445 2.348 20 30 DEEDHN C#CCCN(C)CCNC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001663339412 1080734063 /nfs/dbraw/zinc/73/40/63/1080734063.db2.gz JUNCAVHFEMFLTR-OAHLLOKOSA-N 0 3 302.418 2.260 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)C3CC(C)C3)CCC[C@@H]12 ZINC001107353730 1080737397 /nfs/dbraw/zinc/73/73/97/1080737397.db2.gz GMQJUJMFEXVDCM-HTPOPCQBSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001663633957 1080794712 /nfs/dbraw/zinc/79/47/12/1080794712.db2.gz LRWBMJRUZHVZMA-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc2c(c1)CCOC2 ZINC001663672205 1080802079 /nfs/dbraw/zinc/80/20/79/1080802079.db2.gz LMLPQJCQNNBNDX-UHFFFAOYSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccoc1Br ZINC001663688865 1080803926 /nfs/dbraw/zinc/80/39/26/1080803926.db2.gz UOIDMNCYLLCWJN-UHFFFAOYSA-N 0 3 313.195 2.117 20 30 DEEDHN CCCSCC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001663834262 1080823603 /nfs/dbraw/zinc/82/36/03/1080823603.db2.gz SIHJYLKQESMHJL-UHFFFAOYSA-N 0 3 305.447 2.249 20 30 DEEDHN C=CCCCC(=O)N(C)CCNCC(=O)N1CCCCCCC1 ZINC001664151690 1080866458 /nfs/dbraw/zinc/86/64/58/1080866458.db2.gz WUVFTLYJPBMRRB-UHFFFAOYSA-N 0 3 323.481 2.183 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)c1cc(C2CC2)no1 ZINC001664216733 1080878055 /nfs/dbraw/zinc/87/80/55/1080878055.db2.gz AKBLNHBRIKYQFM-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001268643868 1080912437 /nfs/dbraw/zinc/91/24/37/1080912437.db2.gz FUTWXHGXVJHXQR-QMTHXVAHSA-N 0 3 316.854 2.323 20 30 DEEDHN CCCOCC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001268680278 1080929521 /nfs/dbraw/zinc/92/95/21/1080929521.db2.gz IKIPERDQUBLKMH-AWEZNQCLSA-N 0 3 322.836 2.212 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1(CF)CCC1 ZINC001268704672 1080943107 /nfs/dbraw/zinc/94/31/07/1080943107.db2.gz MSOMIOKULYLKQC-HNNXBMFYSA-N 0 3 302.393 2.272 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001664754996 1080956161 /nfs/dbraw/zinc/95/61/61/1080956161.db2.gz METRPYARBMMWGT-KZNAEPCWSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001268731258 1080956628 /nfs/dbraw/zinc/95/66/28/1080956628.db2.gz VKVWEKLCSRILKO-OAHLLOKOSA-N 0 3 320.408 2.111 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)C2CCC=CCC2)C1 ZINC001664759792 1080956946 /nfs/dbraw/zinc/95/69/46/1080956946.db2.gz DGRSRLMIPAVPKY-KRWDZBQOSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCC1(C(=O)N(C)CCN2CCN(CC)CC2)CCCCC1 ZINC001664786116 1080959887 /nfs/dbraw/zinc/95/98/87/1080959887.db2.gz RKMBXHUNNURHFT-UHFFFAOYSA-N 0 3 319.493 2.056 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cncc(C(F)(F)F)c1 ZINC001268753098 1080969727 /nfs/dbraw/zinc/96/97/27/1080969727.db2.gz OMEFZGSCGGOSAR-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCC[C@H](C)N1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001665200009 1080999340 /nfs/dbraw/zinc/99/93/40/1080999340.db2.gz HUPWDPIBPKHKJU-RDJZCZTQSA-N 0 3 307.482 2.404 20 30 DEEDHN C=C(C)CCC(=O)NCC1CN(C[C@H](O)C2CCCCC2)C1 ZINC001665292929 1081010314 /nfs/dbraw/zinc/01/03/14/1081010314.db2.gz FGGLVQVCNDFSAG-KRWDZBQOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2c(c1)CCO2 ZINC001268856628 1081021570 /nfs/dbraw/zinc/02/15/70/1081021570.db2.gz NIGIBIXSZGLWGY-UHFFFAOYSA-N 0 3 308.809 2.426 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCO1 ZINC001665409295 1081025170 /nfs/dbraw/zinc/02/51/70/1081025170.db2.gz FNEYBQSILPQLAS-ULQDDVLXSA-N 0 3 304.434 2.034 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)COc2ccc(F)c(F)c2)C1 ZINC001665691061 1081064254 /nfs/dbraw/zinc/06/42/54/1081064254.db2.gz CBTGANAVZZFLIE-CYBMUJFWSA-N 0 3 324.371 2.452 20 30 DEEDHN C=C[C@@H](CC(=O)N(CC)[C@@H]1CCN(CCO)C1)c1ccccc1 ZINC001665742608 1081075638 /nfs/dbraw/zinc/07/56/38/1081075638.db2.gz PYPVFDHAFKVASQ-FUHWJXTLSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001268984983 1081075976 /nfs/dbraw/zinc/07/59/76/1081075976.db2.gz BMYPKVFGYWXTPI-JKSUJKDBSA-N 0 3 316.449 2.018 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2cccc(OC)c2)C1 ZINC001665743342 1081076700 /nfs/dbraw/zinc/07/67/00/1081076700.db2.gz XEYAAQASQPKBBQ-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCNC(=O)CN[C@@H](CC)CNC(=O)C1(C)CCCCCC1 ZINC001665797913 1081083296 /nfs/dbraw/zinc/08/32/96/1081083296.db2.gz DPMKNDXKHOZFNJ-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)N[C@@H](C)c2n[nH]c(C)n2)CC1 ZINC001665839854 1081088933 /nfs/dbraw/zinc/08/89/33/1081088933.db2.gz SSUPVTLTFREKDV-SWLSCSKDSA-N 0 3 319.453 2.405 20 30 DEEDHN C=CCCCC(=O)NC[C@H](CC)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001665839687 1081089685 /nfs/dbraw/zinc/08/96/85/1081089685.db2.gz QVCFKCJZAHLBQI-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CC1)[C@@H]1CC1(F)F ZINC001269066328 1081106253 /nfs/dbraw/zinc/10/62/53/1081106253.db2.gz CRIMRXGAPXAGBX-JKSUJKDBSA-N 0 3 318.367 2.178 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccc(COC)o2)cc1 ZINC001666337954 1081146224 /nfs/dbraw/zinc/14/62/24/1081146224.db2.gz YTDRWXHSWDEFOF-UHFFFAOYSA-N 0 3 312.369 2.079 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001269203490 1081162878 /nfs/dbraw/zinc/16/28/78/1081162878.db2.gz SINPQUBVAMXECQ-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCN1CCCC1CCCC1 ZINC001269235773 1081178261 /nfs/dbraw/zinc/17/82/61/1081178261.db2.gz OYBQNGXJTSSICE-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCC(=O)N(CC)CC ZINC001667368138 1081243883 /nfs/dbraw/zinc/24/38/83/1081243883.db2.gz KTJIBMVULVDRKY-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001667570849 1081264771 /nfs/dbraw/zinc/26/47/71/1081264771.db2.gz OTCMJKCWWKWBBS-IXDOHACOSA-N 0 3 306.450 2.182 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC001667600534 1081267243 /nfs/dbraw/zinc/26/72/43/1081267243.db2.gz OUGDASZXCYGBNU-CJNGLKHVSA-N 0 3 304.438 2.042 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2cnc(C)o2)C1 ZINC001667681591 1081273555 /nfs/dbraw/zinc/27/35/55/1081273555.db2.gz SLGIAOFTOLXIBD-WBVHZDCISA-N 0 3 315.417 2.209 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](CC)Oc2ccccc2F)CC1 ZINC001269521537 1081276267 /nfs/dbraw/zinc/27/62/67/1081276267.db2.gz BULLJMWXLSVNOK-OAHLLOKOSA-N 0 3 318.392 2.245 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](O)CNCc1cc2ccccc2o1 ZINC001667832193 1081291976 /nfs/dbraw/zinc/29/19/76/1081291976.db2.gz RMVVBVJTTRCROD-HNNXBMFYSA-N 0 3 316.401 2.356 20 30 DEEDHN C#CCOc1ccc(C(=O)NC2(CNCCF)CCCC2)cc1 ZINC001269579732 1081294475 /nfs/dbraw/zinc/29/44/75/1081294475.db2.gz QPSXQHJWQKWULI-UHFFFAOYSA-N 0 3 318.392 2.300 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1ccns1 ZINC001668081596 1081313367 /nfs/dbraw/zinc/31/33/67/1081313367.db2.gz CBZCHDZRQDBRPN-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCOC1 ZINC001269664086 1081326489 /nfs/dbraw/zinc/32/64/89/1081326489.db2.gz NPVBEBFUXXDBHU-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)/C=C(/C)CC)CC2 ZINC001482243270 1081366908 /nfs/dbraw/zinc/36/69/08/1081366908.db2.gz FGHNRTBNPYLERH-SSZFMOIBSA-N 0 3 306.450 2.470 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC/C=C\CNCc1ccc(OCC#N)cc1 ZINC001668977292 1081414616 /nfs/dbraw/zinc/41/46/16/1081414616.db2.gz GDSDHAHHINWOGE-FNGHRWMPSA-N 0 3 313.401 2.007 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270006498 1081425559 /nfs/dbraw/zinc/42/55/59/1081425559.db2.gz JMQAVVRGTVUFGT-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1cncs1 ZINC001270013933 1081427729 /nfs/dbraw/zinc/42/77/29/1081427729.db2.gz DGYRWZGJIGRVLI-UONOGXRCSA-N 0 3 323.462 2.205 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2nccs2)cc1 ZINC001669102769 1081428525 /nfs/dbraw/zinc/42/85/25/1081428525.db2.gz URRORYQQIDNBEG-UPHRSURJSA-N 0 3 312.398 2.091 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001669200548 1081437321 /nfs/dbraw/zinc/43/73/21/1081437321.db2.gz HEALAXKVCUBMGO-BQYQJAHWSA-N 0 3 314.429 2.258 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2OC)cc1 ZINC001270065231 1081441538 /nfs/dbraw/zinc/44/15/38/1081441538.db2.gz IIFDDFYHJGTQQX-MSOLQXFVSA-N 0 3 314.429 2.231 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CNCc1cc(F)c(OC)c(F)c1 ZINC001669544019 1081457328 /nfs/dbraw/zinc/45/73/28/1081457328.db2.gz AWANHVAEPGFEGQ-LBPRGKRZSA-N 0 3 324.371 2.371 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1ccccc1C(C)C ZINC001669576623 1081458429 /nfs/dbraw/zinc/45/84/29/1081458429.db2.gz BBPBCDGTZPRMMV-HNNXBMFYSA-N 0 3 302.418 2.168 20 30 DEEDHN C=CCCCC(=O)NC1(C)CCN(CCn2cccn2)CC1 ZINC001270248688 1081484701 /nfs/dbraw/zinc/48/47/01/1081484701.db2.gz HCQGSHRXUKDUCK-UHFFFAOYSA-N 0 3 304.438 2.210 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc2ccccc2n1 ZINC001670124183 1081498024 /nfs/dbraw/zinc/49/80/24/1081498024.db2.gz JADWPYIRXRBMBK-UHFFFAOYSA-N 0 3 318.808 2.434 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1nn(C)c2c1CCCC2 ZINC001670254092 1081505667 /nfs/dbraw/zinc/50/56/67/1081505667.db2.gz PPKUXDWWEBJJKU-UHFFFAOYSA-N 0 3 324.856 2.103 20 30 DEEDHN C#CCN(C(=O)c1cc(C)on1)C1CCN(CC=C(C)C)CC1 ZINC001671455997 1081517299 /nfs/dbraw/zinc/51/72/99/1081517299.db2.gz GATGFNFZHVLJLO-UHFFFAOYSA-N 0 3 315.417 2.489 20 30 DEEDHN C#CCN(C(=O)CCC)C1CCN(CCc2ccns2)CC1 ZINC001671450376 1081517643 /nfs/dbraw/zinc/51/76/43/1081517643.db2.gz GQXVUOYYINCTDW-UHFFFAOYSA-N 0 3 319.474 2.412 20 30 DEEDHN C#CCN(C(=O)[C@H]1Cc2ccccc2O1)C1CCN(CC=C)CC1 ZINC001671485824 1081519386 /nfs/dbraw/zinc/51/93/86/1081519386.db2.gz YVGNVRCRXYYTMJ-LJQANCHMSA-N 0 3 324.424 2.102 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COCc2ccc(C)cc2)C1 ZINC001671649643 1081529123 /nfs/dbraw/zinc/52/91/23/1081529123.db2.gz TZTBNDLNRUCQJO-SFHVURJKSA-N 0 3 302.418 2.278 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)CNCc1ncc(C)s1 ZINC001270487095 1081535874 /nfs/dbraw/zinc/53/58/74/1081535874.db2.gz UMQZDXRQNSDWHN-CYBMUJFWSA-N 0 3 307.463 2.487 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(COC)CCC1)C2 ZINC001270512179 1081540198 /nfs/dbraw/zinc/54/01/98/1081540198.db2.gz GHOWKLZGSOQFBD-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)CNCc2ccn(C)n2)CC1 ZINC001270509571 1081540321 /nfs/dbraw/zinc/54/03/21/1081540321.db2.gz ZPKYXUGOSJENQA-CQSZACIVSA-N 0 3 304.438 2.008 20 30 DEEDHN CC#CCN1CC[C@H](N2CCN(C(=O)C[C@H](C)CCC)CC2)C1 ZINC001270520189 1081542246 /nfs/dbraw/zinc/54/22/46/1081542246.db2.gz KYJOOAYIJDTWTK-MSOLQXFVSA-N 0 3 319.493 2.055 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC001671846808 1081542521 /nfs/dbraw/zinc/54/25/21/1081542521.db2.gz OPGZUYOIWWABKF-LPHOPBHVSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(F)ccc2OC)CC1 ZINC001671846906 1081543092 /nfs/dbraw/zinc/54/30/92/1081543092.db2.gz SNTLACIWAOHTQF-UHFFFAOYSA-N 0 3 318.392 2.299 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC001671857617 1081543563 /nfs/dbraw/zinc/54/35/63/1081543563.db2.gz BIHPRCRUGGOEDH-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001671908214 1081548845 /nfs/dbraw/zinc/54/88/45/1081548845.db2.gz PXXXMHMVYXTMFA-KRWDZBQOSA-N 0 3 303.406 2.114 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(CCOCC2CCC2)C1 ZINC001270583259 1081556729 /nfs/dbraw/zinc/55/67/29/1081556729.db2.gz NABRBPPHGDSXMA-IBGZPJMESA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cncn1C)C2 ZINC001672156240 1081562911 /nfs/dbraw/zinc/56/29/11/1081562911.db2.gz SXPIGAUPEYDWTO-JYJNAYRXSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1csnc1C ZINC001672388543 1081592227 /nfs/dbraw/zinc/59/22/27/1081592227.db2.gz KBKUPNWWPFXAEN-UHFFFAOYSA-N 0 3 313.426 2.317 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cc(CC)on1 ZINC001672400971 1081593425 /nfs/dbraw/zinc/59/34/25/1081593425.db2.gz ZLXRDWGDIMHKIR-UHFFFAOYSA-N 0 3 311.385 2.102 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncoc1[C@@H]1CCCO1 ZINC001626751194 1081619189 /nfs/dbraw/zinc/61/91/89/1081619189.db2.gz XESJBJMBDGYUIH-ZDUSSCGKSA-N 0 3 307.394 2.106 20 30 DEEDHN Cc1cnc(CNCC[C@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001672790277 1081626942 /nfs/dbraw/zinc/62/69/42/1081626942.db2.gz JAWZLSHABDHEDC-HNNXBMFYSA-N 0 3 319.474 2.439 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCC(=O)N[C@@H](C)CC)CC1 ZINC001482327053 1081719045 /nfs/dbraw/zinc/71/90/45/1081719045.db2.gz HWUZRURMCNQVON-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)COc2cccnc2)cc1 ZINC001672943613 1081724239 /nfs/dbraw/zinc/72/42/39/1081724239.db2.gz OPMOAYSSLOPVQW-OAHLLOKOSA-N 0 3 323.396 2.061 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CCn1cccc1 ZINC001482346443 1081745738 /nfs/dbraw/zinc/74/57/38/1081745738.db2.gz AZKVSGSUIKVBGR-SFHVURJKSA-N 0 3 323.440 2.366 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccccc2C(C)C)CCO1 ZINC001673278890 1081752036 /nfs/dbraw/zinc/75/20/36/1081752036.db2.gz NZZJRPHBLKZAFT-INIZCTEOSA-N 0 3 314.429 2.264 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2ccn(CC)c2C)C1 ZINC001671666565 1081752163 /nfs/dbraw/zinc/75/21/63/1081752163.db2.gz GPIQQLLQBRFHDU-GOSISDBHSA-N 0 3 319.449 2.213 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@H](C)C2CCCCC2)CCO1 ZINC001673321228 1081754869 /nfs/dbraw/zinc/75/48/69/1081754869.db2.gz AKHDMUCQSFLMGD-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001673347394 1081757403 /nfs/dbraw/zinc/75/74/03/1081757403.db2.gz OSHZXKVXZFAADX-KRWDZBQOSA-N 0 3 317.433 2.078 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001673387626 1081765330 /nfs/dbraw/zinc/76/53/30/1081765330.db2.gz SYTKPMWZQCEVDE-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCCN(C)Cc1ccsc1 ZINC001673434208 1081770557 /nfs/dbraw/zinc/77/05/57/1081770557.db2.gz IREZQZGFDVFOJP-AWEZNQCLSA-N 0 3 308.447 2.067 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cnn(C2CCCC2)c1C ZINC001673483299 1081774474 /nfs/dbraw/zinc/77/44/74/1081774474.db2.gz PQUZLYYVAHVVHZ-UHFFFAOYSA-N 0 3 316.449 2.334 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CCCO1 ZINC001280316053 1081810873 /nfs/dbraw/zinc/81/08/73/1081810873.db2.gz VQDYAYBQERYSIH-KRWDZBQOSA-N 0 3 302.418 2.490 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001674329814 1081860325 /nfs/dbraw/zinc/86/03/25/1081860325.db2.gz CAVITQSCFHZOQT-IAGOWNOFSA-N 0 3 320.477 2.169 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncc(F)c1 ZINC001674419757 1081868761 /nfs/dbraw/zinc/86/87/61/1081868761.db2.gz FNITZTFVTARRFA-QZTJIDSGSA-N 0 3 323.371 2.229 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CN(C)CCn1cccn1 ZINC001674475899 1081878846 /nfs/dbraw/zinc/87/88/46/1081878846.db2.gz TUSUPJHWZOMEBJ-INIZCTEOSA-N 0 3 318.465 2.408 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1cocc1C ZINC001674475857 1081879083 /nfs/dbraw/zinc/87/90/83/1081879083.db2.gz SQQZZHWAZFFBTG-HNNXBMFYSA-N 0 3 306.406 2.327 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCn1cccn1 ZINC001674475900 1081879195 /nfs/dbraw/zinc/87/91/95/1081879195.db2.gz TUSUPJHWZOMEBJ-MRXNPFEDSA-N 0 3 318.465 2.408 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1ccc(OC)cc1 ZINC001674496282 1081882006 /nfs/dbraw/zinc/88/20/06/1081882006.db2.gz VBWWJNSSDRLXQA-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001271068619 1081896234 /nfs/dbraw/zinc/89/62/34/1081896234.db2.gz RMBJHESQFAZWKA-UONOGXRCSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001674672775 1081903344 /nfs/dbraw/zinc/90/33/44/1081903344.db2.gz IKCVGVKUWYQDJL-RYUDHWBXSA-N 0 3 319.453 2.267 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CN(C[C@H](C)O)CCC1(F)F ZINC001271091796 1081904550 /nfs/dbraw/zinc/90/45/50/1081904550.db2.gz CNGUUHFOROFLTJ-STQMWFEESA-N 0 3 318.408 2.043 20 30 DEEDHN COCc1cccc(CN(C)CCNC(=O)C#CC(C)(C)C)c1 ZINC001266273320 1081931749 /nfs/dbraw/zinc/93/17/49/1081931749.db2.gz PKQNJHFLSCLCDZ-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1(CC)CCCC1 ZINC001271154522 1081941170 /nfs/dbraw/zinc/94/11/70/1081941170.db2.gz HAGROBDBTVRLJQ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001271220476 1081992862 /nfs/dbraw/zinc/99/28/62/1081992862.db2.gz NIOJRZHCJBJBCF-TVPLGVNVSA-N 0 3 320.477 2.332 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC001649249589 1081994847 /nfs/dbraw/zinc/99/48/47/1081994847.db2.gz RVBSGGSMZVAOST-UKRRQHHQSA-N 0 3 324.384 2.288 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCc2ccncc2)CC1 ZINC001266373628 1082005789 /nfs/dbraw/zinc/00/57/89/1082005789.db2.gz IGVVZAUBNPEOJF-QGZVFWFLSA-N 0 3 311.429 2.008 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](N[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001266423743 1082032054 /nfs/dbraw/zinc/03/20/54/1082032054.db2.gz IWHXNAHMNDDVED-BXUZGUMPSA-N 0 3 319.453 2.261 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)Cn1cc(C#N)c3ccccc31)CC2 ZINC001271487394 1082060918 /nfs/dbraw/zinc/06/09/18/1082060918.db2.gz FZTMCYRUYMRIAZ-UHFFFAOYSA-N 0 3 322.412 2.067 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1ccccc1F ZINC001266492234 1082072253 /nfs/dbraw/zinc/07/22/53/1082072253.db2.gz KZQXIAOCCBJRAY-INIZCTEOSA-N 0 3 320.408 2.151 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC001266492235 1082072738 /nfs/dbraw/zinc/07/27/38/1082072738.db2.gz KZQXIAOCCBJRAY-MRXNPFEDSA-N 0 3 320.408 2.151 20 30 DEEDHN C=CCN(CCNC(=O)c1cnc(C)nc1C(C)C)C1CC1 ZINC001493424682 1082073517 /nfs/dbraw/zinc/07/35/17/1082073517.db2.gz VBCRMKGXDDBWSI-UHFFFAOYSA-N 0 3 302.422 2.289 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]1CNCc1ccc(Cl)nc1 ZINC001671294545 1082073747 /nfs/dbraw/zinc/07/37/47/1082073747.db2.gz WFRYMFCAYWMVTF-HNNXBMFYSA-N 0 3 319.836 2.475 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1=O ZINC001649270052 1082136573 /nfs/dbraw/zinc/13/65/73/1082136573.db2.gz JYFNRURCBJXGQI-ONGXEEELSA-N 0 3 321.327 2.183 20 30 DEEDHN CC(C)[C@H](CNC(=O)C#CC(C)(C)C)NCc1cncs1 ZINC001482529558 1082161312 /nfs/dbraw/zinc/16/13/12/1082161312.db2.gz JDYQWTFREDEWFV-AWEZNQCLSA-N 0 3 307.463 2.423 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)CCOc2ccccc2)C1 ZINC001266572078 1082167379 /nfs/dbraw/zinc/16/73/79/1082167379.db2.gz SZXDUPKFDAKZNT-SJORKVTESA-N 0 3 314.429 2.305 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(F)c(OC)c1 ZINC001266572924 1082167441 /nfs/dbraw/zinc/16/74/41/1082167441.db2.gz AWMAANZXKWLWRH-UHFFFAOYSA-N 0 3 306.381 2.299 20 30 DEEDHN C[C@H]1CC[C@@H](CN(CCNC(=O)C#CC(C)(C)C)C2CC2)O1 ZINC001266591893 1082180532 /nfs/dbraw/zinc/18/05/32/1082180532.db2.gz AVEYQRLANIYCKX-HOCLYGCPSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](NCc2ccccn2)C1)OCC ZINC001266595641 1082182492 /nfs/dbraw/zinc/18/24/92/1082182492.db2.gz CGORNKLURSVVRX-BRWVUGGUSA-N 0 3 317.433 2.190 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCN1CC1CCC2(CC2)CC1 ZINC001670640587 1082202364 /nfs/dbraw/zinc/20/23/64/1082202364.db2.gz GRMANXYFTVMEMG-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001670660911 1082206506 /nfs/dbraw/zinc/20/65/06/1082206506.db2.gz DDVVDGJTJMVLON-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1nc(C)sc1C ZINC001670656704 1082207044 /nfs/dbraw/zinc/20/70/44/1082207044.db2.gz NAGOAJFZRNKPHV-AWEZNQCLSA-N 0 3 307.463 2.459 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(CO)ccc2F)C1 ZINC001266612523 1082208935 /nfs/dbraw/zinc/20/89/35/1082208935.db2.gz VNVXYBDEXMVHIH-SHTZXODSSA-N 0 3 320.408 2.267 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccccc2Cl)C1 ZINC001271988943 1082222132 /nfs/dbraw/zinc/22/21/32/1082222132.db2.gz ZQBQBTMJLKDQGI-KRWDZBQOSA-N 0 3 322.836 2.473 20 30 DEEDHN Cc1ccoc1CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001266620371 1082225949 /nfs/dbraw/zinc/22/59/49/1082225949.db2.gz VACVXFQBPLRSAO-IYARVYRRSA-N 0 3 322.408 2.419 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnn(CC)c1C)C(C)C ZINC001482560840 1082228819 /nfs/dbraw/zinc/22/88/19/1082228819.db2.gz HITXRWQJVDTJDE-AWEZNQCLSA-N 0 3 312.845 2.308 20 30 DEEDHN C#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnoc1C ZINC001266648123 1082245221 /nfs/dbraw/zinc/24/52/21/1082245221.db2.gz NDOIWLGFFQPRNP-ALOPSCKCSA-N 0 3 315.417 2.398 20 30 DEEDHN Cc1ncsc1CCN(C)CCN(C)C(=O)C#CC(C)C ZINC001272004171 1082246757 /nfs/dbraw/zinc/24/67/57/1082246757.db2.gz BLQPPZVRHUPXHO-UHFFFAOYSA-N 0 3 307.463 2.044 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)COCCCC)C1 ZINC001266658695 1082253973 /nfs/dbraw/zinc/25/39/73/1082253973.db2.gz HMCKAPCFQPUROR-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN CCc1ocnc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266674130 1082270390 /nfs/dbraw/zinc/27/03/90/1082270390.db2.gz NCUMOCVHWYSBSB-IYBDPMFKSA-N 0 3 323.396 2.139 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCCOc1ccc(F)cc1 ZINC001266793920 1082349558 /nfs/dbraw/zinc/34/95/58/1082349558.db2.gz GQBQGMOPDCXTIX-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001266863899 1082409567 /nfs/dbraw/zinc/40/95/67/1082409567.db2.gz MTJTUHNWNRFISO-MRXNPFEDSA-N 0 3 321.465 2.006 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC001266889509 1082431840 /nfs/dbraw/zinc/43/18/40/1082431840.db2.gz BOGQWYWHUNYWNU-ZBFHGGJFSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC001480899871 1082443485 /nfs/dbraw/zinc/44/34/85/1082443485.db2.gz UGNOFPWNQXTOOV-DOTOQJQBSA-N 0 3 318.461 2.411 20 30 DEEDHN N#CCOc1ccc(CNC/C=C\CNC(=O)C2CCC2)cc1 ZINC001482976742 1082591639 /nfs/dbraw/zinc/59/16/39/1082591639.db2.gz UHZVOCFXVRLSOC-UPHRSURJSA-N 0 3 313.401 2.151 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001272196140 1082641202 /nfs/dbraw/zinc/64/12/02/1082641202.db2.gz OZNJKMFXNVKALI-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)CCn2cccc2)cc1 ZINC001483077110 1082694142 /nfs/dbraw/zinc/69/41/42/1082694142.db2.gz HJBNIWVKFKEUHO-OWOJBTEDSA-N 0 3 322.412 2.212 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)Cc1ccsc1 ZINC001483106024 1082710905 /nfs/dbraw/zinc/71/09/05/1082710905.db2.gz GHIWSPIPFNNYFV-OAHLLOKOSA-N 0 3 312.438 2.437 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001409291769 1082745392 /nfs/dbraw/zinc/74/53/92/1082745392.db2.gz NRRYWPCQHKMNMJ-WLYUNCDWSA-N 0 3 324.856 2.380 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1C ZINC001483172802 1082791089 /nfs/dbraw/zinc/79/10/89/1082791089.db2.gz XIZFLSRVAXTTJG-IAGOWNOFSA-N 0 3 316.445 2.233 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001483224489 1082826539 /nfs/dbraw/zinc/82/65/39/1082826539.db2.gz NAUMNSYOEQAYAG-QEJZJMRPSA-N 0 3 306.356 2.034 20 30 DEEDHN Cc1cnc([C@@H](C)NCC(C)(C)CN(C)C(=O)[C@H](C)C#N)cn1 ZINC001409444452 1082893030 /nfs/dbraw/zinc/89/30/30/1082893030.db2.gz IDHXCPZCTIKPBV-TZMCWYRMSA-N 0 3 317.437 2.080 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ncn2cc(Cl)ccc12 ZINC001483339119 1083116287 /nfs/dbraw/zinc/11/62/87/1083116287.db2.gz CUOLFNKWPUPAKL-LLVKDONJSA-N 0 3 306.797 2.224 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)CCn1cnc2ccccc21 ZINC001483358133 1083126754 /nfs/dbraw/zinc/12/67/54/1083126754.db2.gz KYYFMXORCYAHKG-CQSZACIVSA-N 0 3 300.406 2.049 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001276439529 1083434620 /nfs/dbraw/zinc/43/46/20/1083434620.db2.gz GDUSWUGYKMISNX-YOEHRIQHSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001276440487 1083435321 /nfs/dbraw/zinc/43/53/21/1083435321.db2.gz XSCFDADEHXRWLO-NWDGAFQWSA-N 0 3 305.422 2.408 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CCOC)CCCC2)C(C)(C)C1 ZINC001276632077 1083524136 /nfs/dbraw/zinc/52/41/36/1083524136.db2.gz BZJBEMPCZUCGAE-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cccnc3OC)C2)C1=O ZINC001272748682 1083588622 /nfs/dbraw/zinc/58/86/22/1083588622.db2.gz GRPBBVZYTQFCGW-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691114 1083609724 /nfs/dbraw/zinc/60/97/24/1083609724.db2.gz RBWCEOAIOZAHHE-QAPCUYQASA-N 0 3 317.433 2.257 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCN1CC1CCC(C)(C)CC1 ZINC001276853209 1083647588 /nfs/dbraw/zinc/64/75/88/1083647588.db2.gz MNSWWMMAHYKDPK-DOTOQJQBSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC001276853528 1083648110 /nfs/dbraw/zinc/64/81/10/1083648110.db2.gz NRZKMVGANRDWQB-NEPJUHHUSA-N 0 3 310.829 2.232 20 30 DEEDHN N#Cc1ccc(N2CCC3(CN(CCn4ccnc4)C3)CC2)cc1 ZINC001276961078 1083703435 /nfs/dbraw/zinc/70/34/35/1083703435.db2.gz ZXWIACVDGZKXLY-UHFFFAOYSA-N 0 3 321.428 2.357 20 30 DEEDHN C=Cc1ccc(C(=O)N[C@@H]2CN(CCC(=C)C)C[C@H]2O)cc1 ZINC001077715932 1083736018 /nfs/dbraw/zinc/73/60/18/1083736018.db2.gz CPWTTXCGNSSRMX-IAGOWNOFSA-N 0 3 300.402 2.071 20 30 DEEDHN CC(C)[C@H](C(=O)NCc1cncc(C#N)c1)N1CCCCC1 ZINC001413609672 1083768577 /nfs/dbraw/zinc/76/85/77/1083768577.db2.gz BKBZPTFZSCKIFW-MRXNPFEDSA-N 0 3 300.406 2.080 20 30 DEEDHN N#Cc1cc(F)cc(CN2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c1 ZINC001277127041 1083789877 /nfs/dbraw/zinc/78/98/77/1083789877.db2.gz WXLCLQSETYTAOS-WBVHZDCISA-N 0 3 301.365 2.175 20 30 DEEDHN C=CCC1(S(=O)(=O)N2CCC[C@]3(CCCN(C)C3)C2)CC1 ZINC001277170020 1083825076 /nfs/dbraw/zinc/82/50/76/1083825076.db2.gz KLLMTRWAOPKFNK-HNNXBMFYSA-N 0 3 312.479 2.233 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@@H](C)c2cccc(OC)c2)CC1 ZINC001277259720 1083878517 /nfs/dbraw/zinc/87/85/17/1083878517.db2.gz PRNPTNAVAROTRB-CQSZACIVSA-N 0 3 300.402 2.060 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)COC(C)C)C1 ZINC001277285305 1083894522 /nfs/dbraw/zinc/89/45/22/1083894522.db2.gz OCZKTKFXYADJGM-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN CCCCCCCCCNC(=S)NC[C@H]1CNCCO1 ZINC001239353182 1083898483 /nfs/dbraw/zinc/89/84/83/1083898483.db2.gz DSZZGYAMTAUBCF-CQSZACIVSA-N 0 3 301.500 2.190 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCF)CC1 ZINC001277352459 1083922635 /nfs/dbraw/zinc/92/26/35/1083922635.db2.gz UYZUILXOGHWQNN-CVEARBPZSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001277426083 1083962188 /nfs/dbraw/zinc/96/21/88/1083962188.db2.gz YPRSSERZWJFOMB-CALCHBBNSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c1[O-] ZINC001277464035 1083985322 /nfs/dbraw/zinc/98/53/22/1083985322.db2.gz SOIRJLJSBSWGMJ-CRAIPNDOSA-N 0 3 300.402 2.031 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c1[O-] ZINC001277464035 1083985329 /nfs/dbraw/zinc/98/53/29/1083985329.db2.gz SOIRJLJSBSWGMJ-CRAIPNDOSA-N 0 3 300.402 2.031 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107961863 1084004663 /nfs/dbraw/zinc/00/46/63/1084004663.db2.gz CNVXQXFNHPJOLM-PBHICJAKSA-N 0 3 305.422 2.190 20 30 DEEDHN COCC#CCN1CC[C@@]2(CCN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001277509806 1084010768 /nfs/dbraw/zinc/01/07/68/1084010768.db2.gz POQBUVWXNLXNFZ-IHHMQQGQSA-N 0 3 318.461 2.163 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1scnc1C)CC2 ZINC001272787558 1084055268 /nfs/dbraw/zinc/05/52/68/1084055268.db2.gz GXALNMOYRZZWST-CYBMUJFWSA-N 0 3 305.447 2.356 20 30 DEEDHN Cc1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001491103423 1084073069 /nfs/dbraw/zinc/07/30/69/1084073069.db2.gz VLUBNLHMOCVYHA-FZMZJTMJSA-N 0 3 320.462 2.248 20 30 DEEDHN Cn1cc(CN2CC[C@]3(C2)CCCN(CC(F)F)C3)cc1C#N ZINC001277645027 1084073791 /nfs/dbraw/zinc/07/37/91/1084073791.db2.gz LPOMUVAREJEPMF-QGZVFWFLSA-N 0 3 322.403 2.450 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001491128997 1084094771 /nfs/dbraw/zinc/09/47/71/1084094771.db2.gz FPGYOZHIDRZOHX-HUUCEWRRSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)COC2CCC(C)CC2)C1 ZINC001491132867 1084103935 /nfs/dbraw/zinc/10/39/35/1084103935.db2.gz HHWDFACQKGJFTL-CGZBRXJRSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1cc(CN[C@H]2CCN(C(=O)C#CC(C)C)[C@H](C)C2)on1 ZINC001277740021 1084122742 /nfs/dbraw/zinc/12/27/42/1084122742.db2.gz MISSNBCBFKBWJV-CABCVRRESA-N 0 3 303.406 2.112 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CNCc2ccn(C)n2)C1 ZINC001491168338 1084123001 /nfs/dbraw/zinc/12/30/01/1084123001.db2.gz DRPBOBFKFKIRRV-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCCN1CC2(C1)SCC[C@H]2C(=O)Nc1nnco1 ZINC001277789575 1084149876 /nfs/dbraw/zinc/14/98/76/1084149876.db2.gz XEINROAFUZBGMH-LBPRGKRZSA-N 0 3 322.434 2.172 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccnnc2)CCCCC1 ZINC001115745920 1084179103 /nfs/dbraw/zinc/17/91/03/1084179103.db2.gz WESJJSUIUXQQSZ-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C2CC=CC2)CC2(CCOCC2)C1 ZINC001089931333 1084206218 /nfs/dbraw/zinc/20/62/18/1084206218.db2.gz VTECNDRGNZFACK-INIZCTEOSA-N 0 3 304.434 2.126 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)CCCCC(C)(C)C)C1=O ZINC001128047865 1084246930 /nfs/dbraw/zinc/24/69/30/1084246930.db2.gz QPPUIMXHLFZDHJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](C)C(F)(F)F)C2)CC1 ZINC001272818121 1084252609 /nfs/dbraw/zinc/25/26/09/1084252609.db2.gz YJWIULKHHNKUPY-GFCCVEGCSA-N 0 3 302.340 2.133 20 30 DEEDHN CC#CCCCC(=O)NC1CCC(NCc2nccn2C)CC1 ZINC001491360252 1084257285 /nfs/dbraw/zinc/25/72/85/1084257285.db2.gz DFPHPSMGQWUUTQ-UHFFFAOYSA-N 0 3 316.449 2.131 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001277929526 1084336167 /nfs/dbraw/zinc/33/61/67/1084336167.db2.gz PCPIGIORFOQZSH-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN N#CCc1ccccc1CN1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001235527705 1084456744 /nfs/dbraw/zinc/45/67/44/1084456744.db2.gz LCVQQCNYPNZJKG-MRXNPFEDSA-N 0 3 312.348 2.335 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc(F)c1OCC ZINC001277978632 1084611370 /nfs/dbraw/zinc/61/13/70/1084611370.db2.gz LSPGMIPTUBWLJD-ZDUSSCGKSA-N 0 3 306.381 2.298 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nccn2CC)C12CCC2 ZINC001078611916 1084767640 /nfs/dbraw/zinc/76/76/40/1084767640.db2.gz QPHFJHAYKCMHJZ-QWHCGFSZSA-N 0 3 322.840 2.286 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@H](C)CN(C)C(=O)C#CC1CC1 ZINC001485870092 1084953486 /nfs/dbraw/zinc/95/34/86/1084953486.db2.gz DUGBLICSMYSWRZ-CQSZACIVSA-N 0 3 316.449 2.122 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001485877299 1084959768 /nfs/dbraw/zinc/95/97/68/1084959768.db2.gz GUBVROHKYWMDIS-AWEZNQCLSA-N 0 3 315.417 2.027 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CO)NCCC(F)(F)F)CCCC1 ZINC001486067920 1085039467 /nfs/dbraw/zinc/03/94/67/1085039467.db2.gz LDOGMXIAYURADR-LBPRGKRZSA-N 0 3 322.371 2.142 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2ccc(C)cc2C)C1 ZINC001486126859 1085094013 /nfs/dbraw/zinc/09/40/13/1085094013.db2.gz HGSQFPJITDVODL-IAGOWNOFSA-N 0 3 314.429 2.285 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001486193776 1085121169 /nfs/dbraw/zinc/12/11/69/1085121169.db2.gz CZNXIZSEIWEFLJ-STQMWFEESA-N 0 3 307.394 2.024 20 30 DEEDHN CCC[C@@H](C)CC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001486228978 1085136577 /nfs/dbraw/zinc/13/65/77/1085136577.db2.gz REUQTQOTQAYGES-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CC[C@H](CNCc2cnns2)C1 ZINC001486211652 1085143148 /nfs/dbraw/zinc/14/31/48/1085143148.db2.gz WZGOXVTYALABGC-KBPBESRZSA-N 0 3 320.462 2.106 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC000960251255 1085165403 /nfs/dbraw/zinc/16/54/03/1085165403.db2.gz XCTNTRONMWIGPA-YXJHDRRASA-N 0 3 300.402 2.113 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]c(C)c1C ZINC000960259450 1085169510 /nfs/dbraw/zinc/16/95/10/1085169510.db2.gz STVJXIULJKFIDM-NVXWUHKLSA-N 0 3 310.401 2.198 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cn(C)nc1CC ZINC000960275952 1085177358 /nfs/dbraw/zinc/17/73/58/1085177358.db2.gz JWZKRFQVDHPJJQ-QZTJIDSGSA-N 0 3 324.428 2.154 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(OC)o1 ZINC000960320183 1085195461 /nfs/dbraw/zinc/19/54/61/1085195461.db2.gz HIVOUKVSJGWSNL-RHSMWYFYSA-N 0 3 312.369 2.460 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001272942064 1085200697 /nfs/dbraw/zinc/20/06/97/1085200697.db2.gz IZPYOZWNZOTZLY-GOSISDBHSA-N 0 3 313.376 2.308 20 30 DEEDHN C#CCCCC(=O)N[C@H](CNCc1cnc(C)nc1)C(C)(C)C ZINC001486394962 1085257798 /nfs/dbraw/zinc/25/77/98/1085257798.db2.gz QRQYVHRVYJMKHE-MRXNPFEDSA-N 0 3 316.449 2.209 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C1CC(N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001486477400 1085359658 /nfs/dbraw/zinc/35/96/58/1085359658.db2.gz NLAZHWWPLWTROH-XGNXJENSSA-N 0 3 319.453 2.355 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CC#Cc3ccccc3)CC2)CC1 ZINC001486489984 1085369154 /nfs/dbraw/zinc/36/91/54/1085369154.db2.gz CBXPTYPOHDEPEO-UHFFFAOYSA-N 0 3 320.436 2.422 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@@H]3CCN(CCF)C3)C2)c1 ZINC000961135489 1085604098 /nfs/dbraw/zinc/60/40/98/1085604098.db2.gz GIQRSTOZHHYCFD-HUUCEWRRSA-N 0 3 318.396 2.030 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)occ1C(F)(F)F ZINC000961173226 1085624734 /nfs/dbraw/zinc/62/47/34/1085624734.db2.gz MDFBMWKOUSGDRR-IWIIMEHWSA-N 0 3 314.307 2.453 20 30 DEEDHN O=C(C#CC1CC1)N1CCC([C@@H]2CCCN(CCF)C2)CC1 ZINC000961366788 1085707993 /nfs/dbraw/zinc/70/79/93/1085707993.db2.gz NFPDXAONCLMZTJ-QGZVFWFLSA-N 0 3 306.425 2.320 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCc2cccnc21 ZINC001272987179 1085798292 /nfs/dbraw/zinc/79/82/92/1085798292.db2.gz YFJLMLFDGIMUCT-GXTWGEPZSA-N 0 3 307.825 2.348 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000961691843 1085829772 /nfs/dbraw/zinc/82/97/72/1085829772.db2.gz WPPQITDTVNXYGU-UHFFFAOYSA-N 0 3 322.412 2.493 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2cc3n(n2)CCC3)C1 ZINC001273011652 1085946972 /nfs/dbraw/zinc/94/69/72/1085946972.db2.gz ZOPYSRFMQSMPDZ-CQSZACIVSA-N 0 3 316.449 2.170 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc(C)c2ccccc21 ZINC000962031726 1085947575 /nfs/dbraw/zinc/94/75/75/1085947575.db2.gz ZTXJJZSMKVCFPN-MNZLEMJZSA-N 0 3 309.413 2.182 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cnc(N)s1)CC2 ZINC001273026658 1086016039 /nfs/dbraw/zinc/01/60/39/1086016039.db2.gz SYJBBFHHRSGVOG-UHFFFAOYSA-N 0 3 320.462 2.116 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c(F)cccc1Cl ZINC000962380376 1086093062 /nfs/dbraw/zinc/09/30/62/1086093062.db2.gz PIXSNBAIYBNGEF-ATCWAGBWSA-N 0 3 308.784 2.254 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N(CC)CC)cc1 ZINC000962387898 1086096551 /nfs/dbraw/zinc/09/65/51/1086096551.db2.gz QKXXUXSBTLGNOU-PIIMJCKOSA-N 0 3 313.445 2.379 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc3oc(C)nc3c2)CCC1 ZINC001273107260 1086211108 /nfs/dbraw/zinc/21/11/08/1086211108.db2.gz XMZWWNAKCDWWMA-UHFFFAOYSA-N 0 3 311.385 2.402 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2CCc3ccccc3C2)CCC1 ZINC001273162218 1087098139 /nfs/dbraw/zinc/09/81/39/1087098139.db2.gz WBJBNPXUCGLSPW-GOSISDBHSA-N 0 3 310.441 2.443 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1c[nH]c2ncccc12 ZINC001273188221 1087239732 /nfs/dbraw/zinc/23/97/32/1087239732.db2.gz LKSBXHPPXMMDHD-LJQANCHMSA-N 0 3 322.412 2.153 20 30 DEEDHN CCO[C@@H](CC(=O)NCCNCc1ccc(C#N)s1)C(C)C ZINC001129315852 1087589744 /nfs/dbraw/zinc/58/97/44/1087589744.db2.gz JHSHFWFNHHSWKO-HNNXBMFYSA-N 0 3 323.462 2.277 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CC3(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079237235 1087768737 /nfs/dbraw/zinc/76/87/37/1087768737.db2.gz VLHFWQWMPNDASY-HRCADAONSA-N 0 3 318.461 2.158 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C)nc3C)C[C@H]21 ZINC001114672879 1087955815 /nfs/dbraw/zinc/95/58/15/1087955815.db2.gz XDGMFHTYSMTGEP-FVQHAEBGSA-N 0 3 313.445 2.457 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC000957111275 1088038719 /nfs/dbraw/zinc/03/87/19/1088038719.db2.gz HLCKAHRGOJSVRP-AWEZNQCLSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCOCCC(C)C)C[C@H]21 ZINC001114692493 1088109349 /nfs/dbraw/zinc/10/93/49/1088109349.db2.gz IGUSFFKOPSLFMX-ZSHCYNCHSA-N 0 3 308.466 2.308 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1)C1CC=CC1 ZINC001490878527 1088159266 /nfs/dbraw/zinc/15/92/66/1088159266.db2.gz MPMBJRPJYVYQSE-IYARVYRRSA-N 0 3 312.388 2.380 20 30 DEEDHN C=CCN1CC(N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000957416008 1088269453 /nfs/dbraw/zinc/26/94/53/1088269453.db2.gz HZPGSWXNZVYONL-UHFFFAOYSA-N 0 3 301.434 2.081 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C1CC1 ZINC001114737055 1088328450 /nfs/dbraw/zinc/32/84/50/1088328450.db2.gz TXMUVSBLYIUYIA-ZSHCYNCHSA-N 0 3 316.401 2.020 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2[C@H]3CN(CCOC4CCC4)C[C@H]32)CC1 ZINC001114794617 1088530093 /nfs/dbraw/zinc/53/00/93/1088530093.db2.gz MCOARMMFXXBQGV-FVQHAEBGSA-N 0 3 318.461 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001080194558 1088673700 /nfs/dbraw/zinc/67/37/00/1088673700.db2.gz HQCDMKCIBJUUSC-GDBMZVCRSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001080203835 1088676841 /nfs/dbraw/zinc/67/68/41/1088676841.db2.gz LYVQUIMBWHWAEO-TZMCWYRMSA-N 0 3 322.840 2.191 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CCCC2)cc1 ZINC000958038956 1088758679 /nfs/dbraw/zinc/75/86/79/1088758679.db2.gz OQHSGJZVIKLWBE-PIIMJCKOSA-N 0 3 309.413 2.295 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001080385763 1088856385 /nfs/dbraw/zinc/85/63/85/1088856385.db2.gz JYNJJGMWFLEKOQ-TZMCWYRMSA-N 0 3 306.356 2.347 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc(CCC)cc2)[C@H](O)C1 ZINC000958366975 1088942916 /nfs/dbraw/zinc/94/29/16/1088942916.db2.gz WZXFCZRIRCIWRL-QZTJIDSGSA-N 0 3 316.445 2.238 20 30 DEEDHN C[C@H](C(=O)NC[C@H]1CCCCCN1CC#N)N1CCCCCC1 ZINC001276319626 1088972455 /nfs/dbraw/zinc/97/24/55/1088972455.db2.gz MNOVMSIDFHFAEQ-IAGOWNOFSA-N 0 3 320.481 2.135 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1ccccc1F ZINC001114836159 1088972868 /nfs/dbraw/zinc/97/28/68/1088972868.db2.gz YEPLWIMHGDJYLO-UTXMOHQDSA-N 0 3 302.393 2.237 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC000958453363 1088996841 /nfs/dbraw/zinc/99/68/41/1088996841.db2.gz NIDYZKZTHNENPS-JQWIXIFHSA-N 0 3 314.838 2.000 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc3sccc3c2)C1 ZINC000958557022 1089056203 /nfs/dbraw/zinc/05/62/03/1089056203.db2.gz XAIMWQJLMXNATC-GJZGRUSLSA-N 0 3 316.426 2.110 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2cccc(C(C)C)c2)[C@H](O)C1 ZINC000958567123 1089062892 /nfs/dbraw/zinc/06/28/92/1089062892.db2.gz LTXXCPLLRDVFOJ-IAGOWNOFSA-N 0 3 302.418 2.019 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)C[C@H]2C)cc1 ZINC001080575319 1089071203 /nfs/dbraw/zinc/07/12/03/1089071203.db2.gz POXSSRLISVLOIG-CRAIPNDOSA-N 0 3 312.413 2.325 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc(C3CC3)s2)[C@H](O)C1 ZINC000958587853 1089075272 /nfs/dbraw/zinc/07/52/72/1089075272.db2.gz MODDOFBYDNIPBV-ZIAGYGMSSA-N 0 3 320.458 2.224 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC000958590633 1089077527 /nfs/dbraw/zinc/07/75/27/1089077527.db2.gz BHNDVQYEPCBDDY-ZWKOTPCHSA-N 0 3 314.429 2.163 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC000958610370 1089092748 /nfs/dbraw/zinc/09/27/48/1089092748.db2.gz SANCEPYTFOJFRW-ZWKOTPCHSA-N 0 3 316.445 2.409 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001080613712 1089093191 /nfs/dbraw/zinc/09/31/91/1089093191.db2.gz IYBFKMMAHRAVPS-RDTXWAMCSA-N 0 3 322.412 2.150 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001080657220 1089126095 /nfs/dbraw/zinc/12/60/95/1089126095.db2.gz SGWVHXIDLQEGTI-TZMCWYRMSA-N 0 3 306.381 2.461 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001080697665 1089146321 /nfs/dbraw/zinc/14/63/21/1089146321.db2.gz NSGKQWKGQWJBLC-BXUZGUMPSA-N 0 3 316.430 2.318 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccoc2C(C)C)[C@H](O)C1 ZINC000958732721 1089155467 /nfs/dbraw/zinc/15/54/67/1089155467.db2.gz PVEWSGKZYKEFHT-UKRRQHHQSA-N 0 3 306.406 2.002 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001081065296 1089314049 /nfs/dbraw/zinc/31/40/49/1089314049.db2.gz ZSYQOMUPMIOBLA-CZUORRHYSA-N 0 3 304.438 2.399 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC001081105228 1089353724 /nfs/dbraw/zinc/35/37/24/1089353724.db2.gz HGMVGSBQYPLVAG-JKSUJKDBSA-N 0 3 318.367 2.249 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1c1ccccc1 ZINC001081182179 1089370282 /nfs/dbraw/zinc/37/02/82/1089370282.db2.gz HZNLGLCNHUJMMJ-VNQPRFMTSA-N 0 3 320.383 2.495 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)[C@H](OC)C1 ZINC001082061871 1089694989 /nfs/dbraw/zinc/69/49/89/1089694989.db2.gz CQJJNUJITHEYJQ-BFHYXJOUSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CN(CC)CC ZINC001082089443 1089716949 /nfs/dbraw/zinc/71/69/49/1089716949.db2.gz CLACTDGTXVDJKC-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001082196998 1089759459 /nfs/dbraw/zinc/75/94/59/1089759459.db2.gz NOOYILXDXWFDGX-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc([C@@H](C)OC)n1 ZINC000959869377 1089809524 /nfs/dbraw/zinc/80/95/24/1089809524.db2.gz HERFIFKDSJIZGF-NMKXLXIOSA-N 0 3 321.446 2.087 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001082261283 1089813000 /nfs/dbraw/zinc/81/30/00/1089813000.db2.gz HUSRPMYDTJGCTJ-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)[C@H](OC)C1 ZINC001082330454 1089844807 /nfs/dbraw/zinc/84/48/07/1089844807.db2.gz WEAVDHIQVXDVHL-USXIJHARSA-N 0 3 302.418 2.182 20 30 DEEDHN N#Cc1cc(C(=O)N2CCCC[C@H]2CNCc2ccccn2)c[nH]1 ZINC000959970126 1089885790 /nfs/dbraw/zinc/88/57/90/1089885790.db2.gz CBGDUCUKKZBZNZ-KRWDZBQOSA-N 0 3 323.400 2.066 20 30 DEEDHN CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001082430021 1089941891 /nfs/dbraw/zinc/94/18/91/1089941891.db2.gz RUXGUTPUPSYWQT-UHIISALHSA-N 0 3 323.487 2.308 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)Cc3cccc(C)c3)[C@H]2C1 ZINC001083180939 1090175866 /nfs/dbraw/zinc/17/58/66/1090175866.db2.gz HUVADEAQPWHFJB-ZWKOTPCHSA-N 0 3 314.429 2.025 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001084098839 1090198016 /nfs/dbraw/zinc/19/80/16/1090198016.db2.gz WSFPFZLCXGMEIQ-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN Cc1cccc(C)c1CN1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084235585 1090247367 /nfs/dbraw/zinc/24/73/67/1090247367.db2.gz IBCKJROGOAKJOR-LZLYRXPVSA-N 0 3 311.429 2.496 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccnn3C(F)F)[C@@H]2C1 ZINC001084371471 1090278958 /nfs/dbraw/zinc/27/89/58/1090278958.db2.gz HTIKLZNEVBZGIP-DGCLKSJQSA-N 0 3 310.348 2.001 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3nc(C)sc3C)[C@@H]2C1 ZINC001084452413 1090294330 /nfs/dbraw/zinc/29/43/30/1090294330.db2.gz CRXHOQBXLBZLJY-GDBMZVCRSA-N 0 3 319.474 2.411 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3ccnc(F)c3)CC2)C1=O ZINC001273223302 1090357205 /nfs/dbraw/zinc/35/72/05/1090357205.db2.gz AIKOCKDHGIGORV-GOSISDBHSA-N 0 3 315.392 2.059 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc(OC)c3C)[C@@H]2C1 ZINC001084686451 1090392494 /nfs/dbraw/zinc/39/24/94/1090392494.db2.gz FRMVTQVQKBODCA-NVXWUHKLSA-N 0 3 312.413 2.173 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001084787168 1090445728 /nfs/dbraw/zinc/44/57/28/1090445728.db2.gz BOZPLAYFVIEWAT-IUODEOHRSA-N 0 3 305.809 2.457 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COc3ccccc3C)[C@@H]2C1 ZINC001084809082 1090454894 /nfs/dbraw/zinc/45/48/94/1090454894.db2.gz WVLUZAZQAGUZHP-IAGOWNOFSA-N 0 3 314.429 2.483 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084816847 1090458140 /nfs/dbraw/zinc/45/81/40/1090458140.db2.gz YTPDQGRWWLSJNM-RTBURBONSA-N 0 3 310.441 2.402 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)n(C)c3C)[C@@H]2C1 ZINC001084820969 1090459496 /nfs/dbraw/zinc/45/94/96/1090459496.db2.gz YUDXXJPKKLRBMR-NVXWUHKLSA-N 0 3 301.434 2.364 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084825592 1090461476 /nfs/dbraw/zinc/46/14/76/1090461476.db2.gz KEIXSLDSKSAEAH-WOJBJXKFSA-N 0 3 322.452 2.274 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845471 1090474442 /nfs/dbraw/zinc/47/44/42/1090474442.db2.gz PUEPISYAJDCENR-QXAKKESOSA-N 0 3 310.441 2.421 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)[C@@H]2C1 ZINC001084867670 1090483951 /nfs/dbraw/zinc/48/39/51/1090483951.db2.gz YGPAMMKWERBKNH-DJIMGWMZSA-N 0 3 312.413 2.271 20 30 DEEDHN CCc1noc(C)c1CNC[C@H](C1CC1)N(C)C(=O)[C@H](C)C#N ZINC001410292306 1090529298 /nfs/dbraw/zinc/52/92/98/1090529298.db2.gz GOSFJQPBMHHKMU-BDJLRTHQSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C[C@@H]21 ZINC001084984383 1090563318 /nfs/dbraw/zinc/56/33/18/1090563318.db2.gz UCARURZPXRHGNF-HFTRVMKXSA-N 0 3 312.413 2.099 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1OCc3ccccc31)C2 ZINC001098300360 1090597438 /nfs/dbraw/zinc/59/74/38/1090597438.db2.gz SZNVHMOKNMUFJA-YSHGAJCASA-N 0 3 324.424 2.393 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](OC)C3CCCC3)C[C@@H]21 ZINC001085083655 1090637099 /nfs/dbraw/zinc/63/70/99/1090637099.db2.gz LZDQKGGPKKROMP-PVAVHDDUSA-N 0 3 306.450 2.300 20 30 DEEDHN CCOC(=O)c1c[nH]nc1[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000823271456 1090668208 /nfs/dbraw/zinc/66/82/08/1090668208.db2.gz GDAXBNFJKXIQSW-HNNXBMFYSA-N 0 3 324.384 2.448 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001085138184 1090670187 /nfs/dbraw/zinc/67/01/87/1090670187.db2.gz UIIOKBCKVANEHZ-BFHYXJOUSA-N 0 3 300.830 2.325 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(COC)cc2)C1=O ZINC001274536340 1091290704 /nfs/dbraw/zinc/29/07/04/1091290704.db2.gz JJMBNUGUUBCBAD-LJQANCHMSA-N 0 3 312.413 2.033 20 30 DEEDHN Cc1cncc(CN2CCC[C@H](NC(=O)C#CC3CC3)CC2)c1 ZINC001273418776 1091320311 /nfs/dbraw/zinc/32/03/11/1091320311.db2.gz QROYZCWMBMAHJF-SFHVURJKSA-N 0 3 311.429 2.274 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2cscn2)C[C@@H]1C ZINC001274663624 1091357589 /nfs/dbraw/zinc/35/75/89/1091357589.db2.gz WGBVJCRQPFICIA-KBPBESRZSA-N 0 3 305.447 2.068 20 30 DEEDHN C#CCN1C[C@]2(CCN(Cc3ccc(C4CC4)cc3)C2)OCC1=O ZINC001274816652 1091425024 /nfs/dbraw/zinc/42/50/24/1091425024.db2.gz TUGAEIDFKUKDGO-HXUWFJFHSA-N 0 3 324.424 2.001 20 30 DEEDHN COCCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(C)cc1C ZINC001411212756 1091429178 /nfs/dbraw/zinc/42/91/78/1091429178.db2.gz DFBWXYWAOHZYCD-INIZCTEOSA-N 0 3 317.433 2.028 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CNCc2n[nH]c(C(C)C)n2)CC1 ZINC001274906706 1091471147 /nfs/dbraw/zinc/47/11/47/1091471147.db2.gz KYHLTPHDIONBMT-CYBMUJFWSA-N 0 3 319.453 2.269 20 30 DEEDHN C=CCCCCCCN1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1 ZINC001276042009 1091472774 /nfs/dbraw/zinc/47/27/74/1091472774.db2.gz TXWIZDNIVKBYMO-HDICACEKSA-N 0 3 318.465 2.431 20 30 DEEDHN C=CCCCCN1CC2(C1)CN(C(=O)CC1(OC)CCC1)C2 ZINC001274974710 1091497227 /nfs/dbraw/zinc/49/72/27/1091497227.db2.gz NQSKVFBBYIVAGJ-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1scc(C)c1Cl ZINC001275163844 1091593511 /nfs/dbraw/zinc/59/35/11/1091593511.db2.gz RHFIHEAADGFPGO-NSHDSACASA-N 0 3 314.838 2.068 20 30 DEEDHN O=C(C#CC1CC1)NC1CC(CNCc2cccc(F)c2F)C1 ZINC001275227333 1091624444 /nfs/dbraw/zinc/62/44/44/1091624444.db2.gz TWCMAUXUUXMVKZ-UHFFFAOYSA-N 0 3 318.367 2.363 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1cc(CO)ccc1F ZINC001275266529 1091643589 /nfs/dbraw/zinc/64/35/89/1091643589.db2.gz LSDSZTQHMSEWQD-LBPRGKRZSA-N 0 3 308.397 2.125 20 30 DEEDHN C=CCCCC(=O)NC1CC(CN[C@@H](C)c2cnccn2)C1 ZINC001275279364 1091648892 /nfs/dbraw/zinc/64/88/92/1091648892.db2.gz STQAOKRHWOSZSC-NFOMZHRRSA-N 0 3 302.422 2.378 20 30 DEEDHN CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)CNCC#CCOC ZINC001275328641 1091672321 /nfs/dbraw/zinc/67/23/21/1091672321.db2.gz ZNKNBETVCOERGG-DOTOQJQBSA-N 0 3 308.466 2.337 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@H]1CCCCO1 ZINC001276291394 1091766681 /nfs/dbraw/zinc/76/66/81/1091766681.db2.gz XKFMPHNQJGXFOI-DLBZAZTESA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(C[C@@H](C)C(F)(F)F)CC2 ZINC001273444956 1091766699 /nfs/dbraw/zinc/76/66/99/1091766699.db2.gz DPDBOXBKVKXUOS-NEPJUHHUSA-N 0 3 302.340 2.036 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(CCn1ccnc1)C2 ZINC001273487431 1091878328 /nfs/dbraw/zinc/87/83/28/1091878328.db2.gz KDRZEECMDVEGOK-GOSISDBHSA-N 0 3 316.449 2.306 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001490846901 1091884328 /nfs/dbraw/zinc/88/43/28/1091884328.db2.gz ORJSWXOTUZAIHX-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)CC2CC(OCC)C2)CC1 ZINC000948701613 1091889350 /nfs/dbraw/zinc/88/93/50/1091889350.db2.gz XGMFRYMIPNGXRI-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn(CC)c2C)CC1 ZINC000948705994 1091891146 /nfs/dbraw/zinc/89/11/46/1091891146.db2.gz RMDVFBNBGAFMGA-MRXNPFEDSA-N 0 3 301.434 2.376 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nc(Cl)cs2)CC1 ZINC000948717201 1091898033 /nfs/dbraw/zinc/89/80/33/1091898033.db2.gz OJUOIBXABAJBIC-NSHDSACASA-N 0 3 311.838 2.356 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1conc1C(F)(F)F ZINC001273534833 1091908743 /nfs/dbraw/zinc/90/87/43/1091908743.db2.gz KXOZLFKLXRPULF-UHFFFAOYSA-N 0 3 317.311 2.111 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)Cc2cscn2)CC1 ZINC000948836804 1091962486 /nfs/dbraw/zinc/96/24/86/1091962486.db2.gz PPNRVAQWHYQDQC-OAHLLOKOSA-N 0 3 305.447 2.022 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cccc(C#N)c3F)C2)C1=O ZINC001273639912 1091969417 /nfs/dbraw/zinc/96/94/17/1091969417.db2.gz BPYMAEQTXAAMQB-SFHVURJKSA-N 0 3 313.376 2.308 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cnc(C)nc2C)CC1 ZINC000948866737 1091973558 /nfs/dbraw/zinc/97/35/58/1091973558.db2.gz KPSHGFCENVXOCH-MRXNPFEDSA-N 0 3 314.433 2.043 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3ccc(F)c(C)c3F)C2)C1=O ZINC001273720211 1092013659 /nfs/dbraw/zinc/01/36/59/1092013659.db2.gz DCTDQXUATWSDRA-GOSISDBHSA-N 0 3 318.367 2.331 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)c1ccccc1)CCO2 ZINC000949012107 1092029224 /nfs/dbraw/zinc/02/92/24/1092029224.db2.gz YOWPYQPLXSAOSE-UHFFFAOYSA-N 0 3 312.413 2.017 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C[C@H](C)C1CC1)CCO2 ZINC000949251297 1092081890 /nfs/dbraw/zinc/08/18/90/1092081890.db2.gz LQNYIHRCYBBMJX-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC000949477217 1092162110 /nfs/dbraw/zinc/16/21/10/1092162110.db2.gz TWKPXSXLDZJPKC-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N(C)C1CC(NCc2ccns2)C1 ZINC001279198398 1092250326 /nfs/dbraw/zinc/25/03/26/1092250326.db2.gz ASFVORFHJITGSR-IYXRBSQSSA-N 0 3 323.462 2.203 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001273919659 1092506786 /nfs/dbraw/zinc/50/67/86/1092506786.db2.gz MHGAOQLJGVBVNI-IBGZPJMESA-N 0 3 320.477 2.169 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001273919660 1092508634 /nfs/dbraw/zinc/50/86/34/1092508634.db2.gz MHGAOQLJGVBVNI-LJQANCHMSA-N 0 3 320.477 2.169 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2ccncc2F)cc1 ZINC001273927363 1092520647 /nfs/dbraw/zinc/52/06/47/1092520647.db2.gz FEFAULPTJUQFHA-UPHRSURJSA-N 0 3 324.359 2.168 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCCOCC=C)C2)CC1 ZINC001488973663 1092859557 /nfs/dbraw/zinc/85/95/57/1092859557.db2.gz DFKHDTBLAVKUOJ-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncn1C ZINC001489043996 1092881542 /nfs/dbraw/zinc/88/15/42/1092881542.db2.gz PYVNVHYSXQVOSO-CVEARBPZSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001489155584 1092957907 /nfs/dbraw/zinc/95/79/07/1092957907.db2.gz KUHCRUZZRLLQKB-QGZVFWFLSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCCC(=O)N(C)C1CCN(CCCc2nc(C)no2)CC1 ZINC001490399848 1093347074 /nfs/dbraw/zinc/34/70/74/1093347074.db2.gz RVOSQEJMVAQWAA-UHFFFAOYSA-N 0 3 320.437 2.200 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@@H]2CCCN(CCCCC)C2)nn1 ZINC001490450311 1093363782 /nfs/dbraw/zinc/36/37/82/1093363782.db2.gz BENRODIRFZSTPV-OAHLLOKOSA-N 0 3 319.453 2.239 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCOC2CCOCC2)C1 ZINC001490454587 1093391944 /nfs/dbraw/zinc/39/19/44/1093391944.db2.gz JXWQWIDWMKYXKI-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC001490456711 1093394628 /nfs/dbraw/zinc/39/46/28/1093394628.db2.gz SFBMTZWPTSQVMM-GOSISDBHSA-N 0 3 316.445 2.402 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCc2ccco2)CC1 ZINC001490586535 1093432633 /nfs/dbraw/zinc/43/26/33/1093432633.db2.gz AQIYGHZZQJLRDA-MRXNPFEDSA-N 0 3 300.402 2.206 20 30 DEEDHN Cc1cncc(CN2CCC3(C[C@H]3NC(=O)[C@H](C)C#N)CC2)c1 ZINC001490587688 1093433208 /nfs/dbraw/zinc/43/32/08/1093433208.db2.gz OCCRIMVUUXLVOY-GDBMZVCRSA-N 0 3 312.417 2.020 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001490659958 1093470161 /nfs/dbraw/zinc/47/01/61/1093470161.db2.gz NOAQEACHHSTZPL-SFHVURJKSA-N 0 3 321.424 2.473 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccon1 ZINC001490786546 1093530506 /nfs/dbraw/zinc/53/05/06/1093530506.db2.gz RWSPKZYFDFVSGO-BMFZPTHFSA-N 0 3 303.406 2.247 20 30 DEEDHN N#CCCCN1CCC2(C[C@H]2C(=O)NCC(F)(F)F)CC1 ZINC001274038705 1093777757 /nfs/dbraw/zinc/77/77/57/1093777757.db2.gz MNRIBNOJSCDIKI-NSHDSACASA-N 0 3 303.328 2.071 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001274227321 1093868556 /nfs/dbraw/zinc/86/85/56/1093868556.db2.gz GQHBZYKFYLHKLC-MULDZMIYSA-N 0 3 300.377 2.215 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001329591800 1148932769 /nfs/dbraw/zinc/93/27/69/1148932769.db2.gz GBVLKMQKCTWGDG-UONOGXRCSA-N 0 3 305.422 2.495 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](N[C@H](C)c3cnccn3)C2)C1 ZINC001691740557 1138261511 /nfs/dbraw/zinc/26/15/11/1138261511.db2.gz YKAKHCMUUOPGNS-KFWWJZLASA-N 0 3 314.433 2.378 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccc(C)cc1C ZINC001278001697 1138401874 /nfs/dbraw/zinc/40/18/74/1138401874.db2.gz CLOLBKNTVJKCDP-MRXNPFEDSA-N 0 3 302.418 2.003 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](CO)NCc1ccccc1C(C)C ZINC001278077286 1138581683 /nfs/dbraw/zinc/58/16/83/1138581683.db2.gz HWIUZQDECOGVLC-QGZVFWFLSA-N 0 3 316.445 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NCc1ccccc1CC ZINC001278130262 1138746477 /nfs/dbraw/zinc/74/64/77/1138746477.db2.gz UGFVQFDGCWFIHV-KRWDZBQOSA-N 0 3 318.461 2.418 20 30 DEEDHN C#CCN(C(=O)C1CCC=CCC1)C1CCN(CCOC)CC1 ZINC001278200773 1138833624 /nfs/dbraw/zinc/83/36/24/1138833624.db2.gz TWRYBEUIKFDFRG-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN CCN1CCN(c2ccc(-c3nc(C)ncc3C#N)cc2)CC1 ZINC001241737240 1139847558 /nfs/dbraw/zinc/84/75/58/1139847558.db2.gz CURHNWRFLWIVKJ-UHFFFAOYSA-N 0 3 307.401 2.466 20 30 DEEDHN CCN1CCN(c2ccc(-c3ncc(C#N)nc3C)cc2)CC1 ZINC001241742268 1139847975 /nfs/dbraw/zinc/84/79/75/1139847975.db2.gz JFQZFKHINMRRKP-UHFFFAOYSA-N 0 3 307.401 2.466 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001278335671 1139850056 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CC#CCN1CCC[C@@]2(CCN(C(=O)CCCCOC)C2)C1 ZINC001323804981 1141888494 /nfs/dbraw/zinc/88/84/94/1141888494.db2.gz ZYJPNVHJHQVBRM-GOSISDBHSA-N 0 3 306.450 2.141 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@@H]1C ZINC001278533288 1142018404 /nfs/dbraw/zinc/01/84/04/1142018404.db2.gz PVRRRPUXMRJKJY-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NCCCC ZINC001324207097 1142030311 /nfs/dbraw/zinc/03/03/11/1142030311.db2.gz OERUJPSCOGFWCM-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)C1CCCC1)C1CCN(CCOC)CC1 ZINC001324432079 1142077388 /nfs/dbraw/zinc/07/73/88/1142077388.db2.gz OYDGTLRQTJSXPE-INIZCTEOSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCC(=O)N[C@@]1(C)CCN(CCc2ccccc2F)C1 ZINC001324590456 1142130023 /nfs/dbraw/zinc/13/00/23/1142130023.db2.gz WOZICNVPQPZGOT-SFHVURJKSA-N 0 3 320.408 2.151 20 30 DEEDHN O[C@@H](COc1ccc(F)cc1F)CN1CCC(S)CC1 ZINC001250856882 1142337769 /nfs/dbraw/zinc/33/77/69/1142337769.db2.gz 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/nfs/dbraw/zinc/76/57/32/1142765732.db2.gz HQAXIRHFRZBSRI-GOSISDBHSA-N 0 3 316.449 2.217 20 30 DEEDHN CCC(C#N)(CC)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252950185 1142832785 /nfs/dbraw/zinc/83/27/85/1142832785.db2.gz FTZDOQMQBIFSPG-GOSISDBHSA-N 0 3 301.434 2.295 20 30 DEEDHN C=C[C@H](O)CN1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001253585996 1142882471 /nfs/dbraw/zinc/88/24/71/1142882471.db2.gz FPDNNGNAKVROAO-GJZGRUSLSA-N 0 3 301.390 2.045 20 30 DEEDHN C=C[C@@H](O)CN1CCC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001253586825 1142882812 /nfs/dbraw/zinc/88/28/12/1142882812.db2.gz SIIJTRRRFFBLBU-LSDHHAIUSA-N 0 3 310.438 2.397 20 30 DEEDHN C[C@](O)(CN1CCC[C@@H](CC#N)C1)C(=O)OCc1ccccc1 ZINC001253632846 1142886605 /nfs/dbraw/zinc/88/66/05/1142886605.db2.gz SGNNLXAELBZIPP-YJBOKZPZSA-N 0 3 316.401 2.106 20 30 DEEDHN C#Cc1ccc(CNC[C@](C)(O)C(=O)OCc2ccccc2)cc1 ZINC001253654219 1142888134 /nfs/dbraw/zinc/88/81/34/1142888134.db2.gz VJTZPOITBLMCBI-FQEVSTJZSA-N 0 3 323.392 2.252 20 30 DEEDHN C=CCOCc1ncn2c1CN(C[C@H](O)C(C)(C)C)CCC2 ZINC001253726448 1142898900 /nfs/dbraw/zinc/89/89/00/1142898900.db2.gz PSBOWKTVLHEUCI-INIZCTEOSA-N 0 3 307.438 2.198 20 30 DEEDHN C=CCn1c([C@@H](O)C(C)C)nnc1N1CCN([C@H](C)CC)CC1 ZINC001339041264 1142906788 /nfs/dbraw/zinc/90/67/88/1142906788.db2.gz MWZMQTZIAVEVTA-CABCVRRESA-N 0 3 321.469 2.074 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC001339909194 1143173624 /nfs/dbraw/zinc/17/36/24/1143173624.db2.gz PMFPEIOCCVBEBW-IUODEOHRSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(C)cc2C(F)(F)F)CC1 ZINC001254746628 1143316873 /nfs/dbraw/zinc/31/68/73/1143316873.db2.gz VTZVWZLCSNBSLB-UHFFFAOYSA-N 0 3 315.339 2.424 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001278815398 1143327199 /nfs/dbraw/zinc/32/71/99/1143327199.db2.gz CJDVQBWQQGHAIY-SFHVURJKSA-N 0 3 302.418 2.163 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC001340401811 1143338478 /nfs/dbraw/zinc/33/84/78/1143338478.db2.gz VRDPLRIULKOBNW-HUUCEWRRSA-N 0 3 312.360 2.452 20 30 DEEDHN N#Cc1cccc(N2CCN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)c1 ZINC001254962041 1143375094 /nfs/dbraw/zinc/37/50/94/1143375094.db2.gz ZUHRGTKBUHWBJQ-HZPDHXFCSA-N 0 3 309.413 2.438 20 30 DEEDHN CC[C@H](CC#N)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001255169589 1143462577 /nfs/dbraw/zinc/46/25/77/1143462577.db2.gz HQUFYCBVFWANIM-FGTMMUONSA-N 0 3 314.433 2.049 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001340863821 1143471341 /nfs/dbraw/zinc/47/13/41/1143471341.db2.gz ZUWQKUTWKZNDBM-JKSUJKDBSA-N 0 3 323.481 2.334 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2CCN([C@@H](C)CC)CC2)n1C ZINC001341331665 1143584665 /nfs/dbraw/zinc/58/46/65/1143584665.db2.gz NPZUCGSZVYOUJN-AWEZNQCLSA-N 0 3 305.470 2.490 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001341394254 1143593675 /nfs/dbraw/zinc/59/36/75/1143593675.db2.gz XXLFMLSVACTOAW-HDMKZQKVSA-N 0 3 322.449 2.356 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC001341400378 1143596037 /nfs/dbraw/zinc/59/60/37/1143596037.db2.gz YOEOHIQOJPGDES-LSDHHAIUSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC001341540253 1143625639 /nfs/dbraw/zinc/62/56/39/1143625639.db2.gz PJWJACYUIXIYJI-ZDUSSCGKSA-N 0 3 300.406 2.295 20 30 DEEDHN CC(C)n1ccc(CC(=O)C(C#N)C(=O)Nc2ccccc2)n1 ZINC001342579250 1143824827 /nfs/dbraw/zinc/82/48/27/1143824827.db2.gz LCSYAXQQRBOEFE-HNNXBMFYSA-N 0 3 310.357 2.354 20 30 DEEDHN COc1cc(N2CCC(N[C@@H](C)CC#N)CC2)ccc1[N+](=O)[O-] ZINC001256100568 1143829918 /nfs/dbraw/zinc/82/99/18/1143829918.db2.gz JFZHOYOMCJWRSY-LBPRGKRZSA-N 0 3 318.377 2.464 20 30 DEEDHN C#CCCN(C)CCN(C(=O)CCn1nc(C)cc1C)C(C)C ZINC001278914577 1143831325 /nfs/dbraw/zinc/83/13/25/1143831325.db2.gz IQJYJTGUXKEQJO-UHFFFAOYSA-N 0 3 318.465 2.082 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001342707760 1143831796 /nfs/dbraw/zinc/83/17/96/1143831796.db2.gz OZJOOVBSSPIDGE-ZMJPVWNMSA-N 0 3 316.744 2.212 20 30 DEEDHN C#CCCN(C)CCN(C(=O)Cc1c(C)noc1C)C(C)C ZINC001278930160 1143842832 /nfs/dbraw/zinc/84/28/32/1143842832.db2.gz WYFJPEARUVEWJE-UHFFFAOYSA-N 0 3 305.422 2.026 20 30 DEEDHN N#CC1CCC(N2CCN(c3nccc(Cl)n3)CC2)CC1 ZINC001256969289 1143877360 /nfs/dbraw/zinc/87/73/60/1143877360.db2.gz DIJRGYIJQRDFAY-UHFFFAOYSA-N 0 3 305.813 2.334 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]([C@H](C)NCc2nc(C)oc2C)C1 ZINC001278991443 1143888604 /nfs/dbraw/zinc/88/86/04/1143888604.db2.gz ISLDKSXOOMYPGW-BBRMVZONSA-N 0 3 317.433 2.422 20 30 DEEDHN C=CCC[C@H](C)N1CCN(c2ncccc2C(=O)N(C)C)CC1 ZINC001258732272 1144037323 /nfs/dbraw/zinc/03/73/23/1144037323.db2.gz KSZPUSIENFDPIN-HNNXBMFYSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCCC(=O)N[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001299568822 1144077840 /nfs/dbraw/zinc/07/78/40/1144077840.db2.gz OGWCFNKWWTWZBC-SJLPKXTDSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001259934283 1144160848 /nfs/dbraw/zinc/16/08/48/1144160848.db2.gz LPPRHMKKNMEWGG-OSYLJGHBSA-N 0 3 320.458 2.287 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H](N)C2CCCCC2)cc1 ZINC001261493440 1144251940 /nfs/dbraw/zinc/25/19/40/1144251940.db2.gz BFQJSOAAPSAMBT-MRXNPFEDSA-N 0 3 315.417 2.449 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NC[C@H](C2CC2)N(C)C)cc1 ZINC001262154196 1144296300 /nfs/dbraw/zinc/29/63/00/1144296300.db2.gz ZDXZGSXHEMIZDZ-SIFUEBAJSA-N 0 3 300.402 2.190 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(CC)CCSC ZINC001262941468 1144343603 /nfs/dbraw/zinc/34/36/03/1144343603.db2.gz MAXFPBRPXHTFOO-AWEZNQCLSA-N 0 3 323.510 2.463 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001262952616 1144344335 /nfs/dbraw/zinc/34/43/35/1144344335.db2.gz YBIMNGGJOOMCCY-GJZGRUSLSA-N 0 3 316.453 2.229 20 30 DEEDHN C=CCn1c(N2CCN(C)[C@@H](C(C)C)C2)nnc1C(C)(C)C#N ZINC001262991017 1144349028 /nfs/dbraw/zinc/34/90/28/1144349028.db2.gz WPGGKMABJKPKRS-CQSZACIVSA-N 0 3 316.453 2.042 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001263097817 1144355563 /nfs/dbraw/zinc/35/55/63/1144355563.db2.gz JWLYSBFKBIZCLM-MRXNPFEDSA-N 0 3 301.434 2.369 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC1CCN(c2ccccc2)CC1 ZINC001263096991 1144355834 /nfs/dbraw/zinc/35/58/34/1144355834.db2.gz IORAZEKYJHQWSE-QGZVFWFLSA-N 0 3 301.434 2.455 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001263803158 1144396025 /nfs/dbraw/zinc/39/60/25/1144396025.db2.gz YNQUBLGRUPWMCR-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CC[C@H]2CCCO2)C1 ZINC001263812518 1144398898 /nfs/dbraw/zinc/39/88/98/1144398898.db2.gz OHKTVGXOEAAACA-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001263833969 1144406195 /nfs/dbraw/zinc/40/61/95/1144406195.db2.gz UPOGEBNGFXPVNE-GASCZTMLSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001263914773 1144423366 /nfs/dbraw/zinc/42/33/66/1144423366.db2.gz GYRDGOALYLQCBT-UONOGXRCSA-N 0 3 320.462 2.106 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCOCC3CC3)C2)CC1 ZINC001263937045 1144426855 /nfs/dbraw/zinc/42/68/55/1144426855.db2.gz RZQVLQFGVPKWRC-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccn1 ZINC001263959798 1144433276 /nfs/dbraw/zinc/43/32/76/1144433276.db2.gz ZVQUQGPDETZYJG-GXTWGEPZSA-N 0 3 322.840 2.450 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ocnc2CC)[C@H]1CC ZINC001264062614 1144453927 /nfs/dbraw/zinc/45/39/27/1144453927.db2.gz LVMLSTUMNPPXTJ-LSDHHAIUSA-N 0 3 321.421 2.022 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@H](N(CC=C(C)C)CCO)C1 ZINC001264074361 1144454359 /nfs/dbraw/zinc/45/43/59/1144454359.db2.gz ANUBQFSNBSRSOH-SFHVURJKSA-N 0 3 320.477 2.432 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1C[C@H]1CC(C)(C)CO1 ZINC001264140430 1144484528 /nfs/dbraw/zinc/48/45/28/1144484528.db2.gz FUSBEOGIDLYOIQ-OAGGEKHMSA-N 0 3 320.477 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2cc(F)cc(F)c2)[C@H]1C ZINC001264176656 1144494380 /nfs/dbraw/zinc/49/43/80/1144494380.db2.gz JWUSQJDJYQPOEJ-WBMJQRKESA-N 0 3 324.371 2.499 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)CCCOC)CC(C)(C)C1 ZINC001264196686 1144505777 /nfs/dbraw/zinc/50/57/77/1144505777.db2.gz JLNURDKIUVLUSA-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001264366576 1144513261 /nfs/dbraw/zinc/51/32/61/1144513261.db2.gz HESHNIHARIJTBK-OAHLLOKOSA-N 0 3 318.417 2.465 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001264399578 1144529212 /nfs/dbraw/zinc/52/92/12/1144529212.db2.gz GGIQOBSQWDZJNW-GASCZTMLSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC ZINC001264540143 1144562114 /nfs/dbraw/zinc/56/21/14/1144562114.db2.gz PKGRWIFKXSXAOP-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3(COC)CC3)C(C)(C)[C@@H]21 ZINC001264585913 1144572257 /nfs/dbraw/zinc/57/22/57/1144572257.db2.gz ISAHMVAVOINFJB-DJIMGWMZSA-N 0 3 318.461 2.042 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)[C@H]1CC ZINC001264612790 1144578506 /nfs/dbraw/zinc/57/85/06/1144578506.db2.gz LPTRFLAXJOVMCP-DZGCQCFKSA-N 0 3 307.442 2.358 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)[C@H]1CC ZINC001264612790 1144578510 /nfs/dbraw/zinc/57/85/10/1144578510.db2.gz LPTRFLAXJOVMCP-DZGCQCFKSA-N 0 3 307.442 2.358 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001264673534 1144589428 /nfs/dbraw/zinc/58/94/28/1144589428.db2.gz QVRLNEZZGMOYNN-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN(CCCNC(=O)C[C@@H]1CCO[C@H](CC)C1)C1CC1 ZINC001265179494 1144661855 /nfs/dbraw/zinc/66/18/55/1144661855.db2.gz BLTXYRHITWVGRS-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001265219700 1144670100 /nfs/dbraw/zinc/67/01/00/1144670100.db2.gz AHVTXFMAEHFNKF-HOCLYGCPSA-N 0 3 300.418 2.155 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001265317572 1144692944 /nfs/dbraw/zinc/69/29/44/1144692944.db2.gz RQAMOTZSJOAFTF-YOEHRIQHSA-N 0 3 320.408 2.322 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)CCCC(=O)N(C)C)CC1 ZINC001265341127 1144696233 /nfs/dbraw/zinc/69/62/33/1144696233.db2.gz KRXYGDPXXKWGIV-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001265386741 1144700917 /nfs/dbraw/zinc/70/09/17/1144700917.db2.gz LXHKWPUJIBNYJO-HKUYNNGSSA-N 0 3 323.440 2.368 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001265506923 1144708059 /nfs/dbraw/zinc/70/80/59/1144708059.db2.gz ARJNBJQLOUDQEO-QAQDUYKDSA-N 0 3 307.397 2.225 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H]2CN(CC#CC)CC[C@H]21 ZINC001265523495 1144708735 /nfs/dbraw/zinc/70/87/35/1144708735.db2.gz LQPBVHQSIVDBIN-ZWKOTPCHSA-N 0 3 318.461 2.305 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001265581800 1144714459 /nfs/dbraw/zinc/71/44/59/1144714459.db2.gz GBUDMJYHRABIEV-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCCc2csc(C)n2)C1 ZINC001265582115 1144714955 /nfs/dbraw/zinc/71/49/55/1144714955.db2.gz LWIDPKXXIDGMJW-HNNXBMFYSA-N 0 3 319.474 2.236 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001265592704 1144715693 /nfs/dbraw/zinc/71/56/93/1144715693.db2.gz HVWPPNSQUYTQBT-AEFFLSMTSA-N 0 3 313.445 2.283 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ncccc1OC ZINC001265650810 1144722478 /nfs/dbraw/zinc/72/24/78/1144722478.db2.gz DTLQZROSHVXMGL-HNNXBMFYSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001265693679 1144729315 /nfs/dbraw/zinc/72/93/15/1144729315.db2.gz MEBMJLGIMMTRQD-CQSZACIVSA-N 0 3 323.462 2.207 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)COc2ccccc2C)C1 ZINC001265708913 1144732639 /nfs/dbraw/zinc/73/26/39/1144732639.db2.gz VXTWATGKLLZQJQ-IAGOWNOFSA-N 0 3 314.429 2.224 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1csc([C@H]2CCCO2)n1 ZINC001265849417 1144747087 /nfs/dbraw/zinc/74/70/87/1144747087.db2.gz ZQKXKODQHWTFCJ-CQSZACIVSA-N 0 3 321.446 2.070 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NC[C@H](F)CC)CCOCC1 ZINC001265856715 1144748224 /nfs/dbraw/zinc/74/82/24/1144748224.db2.gz RHZNLSXNVINLQL-ZIAGYGMSSA-N 0 3 300.418 2.202 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@H]1CCC=CCCC1 ZINC001265871963 1144749814 /nfs/dbraw/zinc/74/98/14/1144749814.db2.gz KDBJCKFWGMVPMM-KRWDZBQOSA-N 0 3 306.450 2.211 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001265896054 1144751681 /nfs/dbraw/zinc/75/16/81/1144751681.db2.gz PPSJRVFYEMLQLG-MSOLQXFVSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001265923605 1144759388 /nfs/dbraw/zinc/75/93/88/1144759388.db2.gz VPSXDCYZDWSJIH-KRWDZBQOSA-N 0 3 314.433 2.059 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001266055709 1144800998 /nfs/dbraw/zinc/80/09/98/1144800998.db2.gz INPGTWKYWYCUPT-KGLIPLIRSA-N 0 3 305.447 2.464 20 30 DEEDHN C=C1CCC(C(=O)NCCCN(CC)[C@H](C)C(=O)N(C)C)CC1 ZINC001266080573 1144803447 /nfs/dbraw/zinc/80/34/47/1144803447.db2.gz MOZYRJDMNPKXNP-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2conc2C(C)C)C1 ZINC001266103829 1144805623 /nfs/dbraw/zinc/80/56/23/1144805623.db2.gz YMYMQLPUNGVADT-CQSZACIVSA-N 0 3 303.406 2.358 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC001266119373 1144807358 /nfs/dbraw/zinc/80/73/58/1144807358.db2.gz DAOJPDAHESZQHW-MRXNPFEDSA-N 0 3 318.392 2.151 20 30 DEEDHN Cc1nc(C)c(CN(CCCNC(=O)[C@@H](C)C#N)C2CC2)s1 ZINC001266126332 1144807932 /nfs/dbraw/zinc/80/79/32/1144807932.db2.gz UDZFFYUELYFWGC-NSHDSACASA-N 0 3 320.462 2.390 20 30 DEEDHN C#CCN(CCCNC(=O)CO[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC001266161789 1144810718 /nfs/dbraw/zinc/81/07/18/1144810718.db2.gz GFQGXJJSCOTEEY-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001266193154 1144812858 /nfs/dbraw/zinc/81/28/58/1144812858.db2.gz FPYHZPXGBMPZSI-DLBZAZTESA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2cc(C)n(C)n2)C1 ZINC001279989941 1144830500 /nfs/dbraw/zinc/83/05/00/1144830500.db2.gz FTFPILLTVXTCQN-OAHLLOKOSA-N 0 3 304.438 2.023 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)COC(C)(C)C)cc1 ZINC001280351211 1144836328 /nfs/dbraw/zinc/83/63/28/1144836328.db2.gz SWHGYYWTLYGTIW-CQSZACIVSA-N 0 3 302.418 2.402 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C2(CC)CCOCC2)CC1 ZINC001280760206 1144853731 /nfs/dbraw/zinc/85/37/31/1144853731.db2.gz PFTLWTQLIRJITD-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001281129876 1144873042 /nfs/dbraw/zinc/87/30/42/1144873042.db2.gz AHDZZZLQBDTABD-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)[C@@H]1C ZINC001281209929 1144878175 /nfs/dbraw/zinc/87/81/75/1144878175.db2.gz PEKDDIYXPPSIPK-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCC(=O)NC1(CNCc2ccns2)CCOCC1 ZINC001281264827 1144880141 /nfs/dbraw/zinc/88/01/41/1144880141.db2.gz OTKRUWXYHVABDG-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](C)[C@H](NCc2cncs2)C1 ZINC001281390234 1144886655 /nfs/dbraw/zinc/88/66/55/1144886655.db2.gz ZXIOFLJILMKGHQ-DZGCQCFKSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)C1 ZINC001281588355 1144898746 /nfs/dbraw/zinc/89/87/46/1144898746.db2.gz KLROZJGTMFBKPH-INIZCTEOSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2cnns2)CCC1 ZINC001281745067 1144912136 /nfs/dbraw/zinc/91/21/36/1144912136.db2.gz PZQAGLYQZWPLQH-LBPRGKRZSA-N 0 3 308.451 2.269 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CNCC(=O)NCC(C)(C)C ZINC001281852947 1144916546 /nfs/dbraw/zinc/91/65/46/1144916546.db2.gz HLGOGJGAXYMQJE-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1=COCCC1 ZINC001281900994 1144918607 /nfs/dbraw/zinc/91/86/07/1144918607.db2.gz GOTYKNAINCMXLJ-QZTJIDSGSA-N 0 3 310.397 2.076 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281953482 1144923138 /nfs/dbraw/zinc/92/31/38/1144923138.db2.gz WSVOLCZTHFPEJK-HNNXBMFYSA-N 0 3 306.406 2.327 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1c[nH]cc1C ZINC001281968814 1144925364 /nfs/dbraw/zinc/92/53/64/1144925364.db2.gz PEGOHBXRDWLVFK-HNNXBMFYSA-N 0 3 305.422 2.062 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCC(C)CC1 ZINC001282133922 1144996309 /nfs/dbraw/zinc/99/63/09/1144996309.db2.gz PVRAEJYYAOYNSA-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](NC(=O)CSCC#N)C1CN(CC2=CCCCC2)C1 ZINC001282687521 1145125765 /nfs/dbraw/zinc/12/57/65/1145125765.db2.gz DVBWYWWDEDYNIN-ZDUSSCGKSA-N 0 3 307.463 2.180 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001282739785 1145158059 /nfs/dbraw/zinc/15/80/59/1145158059.db2.gz KYOLEZMPAIJYBF-LSDHHAIUSA-N 0 3 320.433 2.331 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C)[C@@H](C)C(=O)NCCC)CC1 ZINC001283310830 1145355846 /nfs/dbraw/zinc/35/58/46/1145355846.db2.gz OKKPJJPOYWGDKI-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)NC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001283430208 1145409722 /nfs/dbraw/zinc/40/97/22/1145409722.db2.gz CNSZKSHZHJFTCL-QGZVFWFLSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1nn(C)cc1[C@@H]1CCCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001364660825 1145423751 /nfs/dbraw/zinc/42/37/51/1145423751.db2.gz UUOTXEXJJJLBCO-ZWKOTPCHSA-N 0 3 310.401 2.471 20 30 DEEDHN CC(C)OCCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001283573705 1145529214 /nfs/dbraw/zinc/52/92/14/1145529214.db2.gz YIIWZZOGMRLYTB-KRWDZBQOSA-N 0 3 316.445 2.290 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cn1cc(C)c2ccccc21 ZINC001283693965 1145591337 /nfs/dbraw/zinc/59/13/37/1145591337.db2.gz YNEJXJYJSCYIKO-MRXNPFEDSA-N 0 3 311.429 2.410 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1nccs1)NCC#Cc1ccccc1 ZINC001283693376 1145591420 /nfs/dbraw/zinc/59/14/20/1145591420.db2.gz YENCRTVIMGSEHU-AWEZNQCLSA-N 0 3 313.426 2.245 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N[C@H](C)C(=O)NC1CCCC1 ZINC001480468859 1151824325 /nfs/dbraw/zinc/82/43/25/1151824325.db2.gz SDFGFCFNWXDSDH-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COC[C@H](C)c1ccccc1 ZINC001283703475 1145601563 /nfs/dbraw/zinc/60/15/63/1145601563.db2.gz CAPMWQSMGZLDDF-IRXDYDNUSA-N 0 3 316.445 2.267 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001283713052 1145612833 /nfs/dbraw/zinc/61/28/33/1145612833.db2.gz FJXOZMYWDOFACJ-HNNXBMFYSA-N 0 3 314.429 2.264 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CO)NCc1cccc(C)c1 ZINC001283792888 1145648774 /nfs/dbraw/zinc/64/87/74/1145648774.db2.gz PHZMPFWWRBENJC-MRXNPFEDSA-N 0 3 304.434 2.164 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2ccccc2F)C[C@@H]1C ZINC001284034771 1145764604 /nfs/dbraw/zinc/76/46/04/1145764604.db2.gz VPSLLDKEKZOLEK-HOCLYGCPSA-N 0 3 320.408 2.497 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)CCCOC)CCC[C@@H]12 ZINC001284067651 1145782307 /nfs/dbraw/zinc/78/23/07/1145782307.db2.gz BSYNOIMLFKVAMY-JFIYKMOQSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001284565732 1145871950 /nfs/dbraw/zinc/87/19/50/1145871950.db2.gz RDACDLLMPGUKGW-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CC)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001285040951 1146014553 /nfs/dbraw/zinc/01/45/53/1146014553.db2.gz XFMAZWOJRVLEKM-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001365848470 1146027702 /nfs/dbraw/zinc/02/77/02/1146027702.db2.gz UPFOIZQCXJEQEI-MGPQQGTHSA-N 0 3 323.824 2.086 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N(C)C(=O)CN1CCC(C)(C)C1 ZINC001285829939 1146329889 /nfs/dbraw/zinc/32/98/89/1146329889.db2.gz MURWPFXWTCJXOG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc(C)n1C[C@H](c1cccs1)N(C)C ZINC001286279378 1146547016 /nfs/dbraw/zinc/54/70/16/1146547016.db2.gz VGJFEIOTURXSTO-TZMCWYRMSA-N 0 3 317.462 2.409 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001366015852 1147009454 /nfs/dbraw/zinc/00/94/54/1147009454.db2.gz ZXKLAAJTCAOKTB-CJNGLKHVSA-N 0 3 315.392 2.456 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1cc(F)c[nH]1 ZINC001492058696 1147053940 /nfs/dbraw/zinc/05/39/40/1147053940.db2.gz QIRISISEVQBYAH-SECBINFHSA-N 0 3 318.190 2.160 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)NCc2ccn(CC)n2)cc1 ZINC001492066868 1147058072 /nfs/dbraw/zinc/05/80/72/1147058072.db2.gz KLUBMFOIERMHJN-OAHLLOKOSA-N 0 3 324.428 2.183 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cnn(CC(C)C)c1CC ZINC001492251551 1147186233 /nfs/dbraw/zinc/18/62/33/1147186233.db2.gz PXNUUSNYELULIQ-UHFFFAOYSA-N 0 3 306.454 2.339 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CCOC)C1 ZINC001317207378 1147276057 /nfs/dbraw/zinc/27/60/57/1147276057.db2.gz VGRHJJJHGUUNCI-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC001303112211 1147320029 /nfs/dbraw/zinc/32/00/29/1147320029.db2.gz SWHMMWXEKPVKCY-XGUBFFRZSA-N 0 3 310.438 2.262 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001303544376 1147330262 /nfs/dbraw/zinc/33/02/62/1147330262.db2.gz RXTQKQIRKMBBDZ-PVAVHDDUSA-N 0 3 306.450 2.443 20 30 DEEDHN N#Cc1cnc(N2CCN[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307214682 1147407594 /nfs/dbraw/zinc/40/75/94/1147407594.db2.gz PHZZAVBBIKLHLR-CQSZACIVSA-N 0 3 309.329 2.012 20 30 DEEDHN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(CCCSCC#N)C1 ZINC001307929279 1147439665 /nfs/dbraw/zinc/43/96/65/1147439665.db2.gz KVHIJXHIZXVZRS-WDEREUQCSA-N 0 3 324.368 2.307 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c[nH]nc3-c3ccoc3)C2)C1 ZINC001313441679 1147563914 /nfs/dbraw/zinc/56/39/14/1147563914.db2.gz UQBXPOVQSYEZLP-UHFFFAOYSA-N 0 3 312.373 2.004 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001316745885 1147565748 /nfs/dbraw/zinc/56/57/48/1147565748.db2.gz KSNBDMLOSIZYHQ-HNNXBMFYSA-N 0 3 312.429 2.130 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001316992043 1147577737 /nfs/dbraw/zinc/57/77/37/1147577737.db2.gz ANYICQMSFZXTJX-AWEZNQCLSA-N 0 3 308.809 2.485 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)C1 ZINC001317063322 1147582898 /nfs/dbraw/zinc/58/28/98/1147582898.db2.gz ZVHKMIBZOICUKU-INIZCTEOSA-N 0 3 303.381 2.105 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](OCC)C2CCCC2)[C@H]1C ZINC001316789294 1147600861 /nfs/dbraw/zinc/60/08/61/1147600861.db2.gz NVCVJDWFUOFKHG-HYVNUMGLSA-N 0 3 306.450 2.184 20 30 DEEDHN CCCc1ccc(C(=O)NCCCN(C)CC#CCOC)s1 ZINC001316825668 1147608069 /nfs/dbraw/zinc/60/80/69/1147608069.db2.gz MVCMNYBHLXIHIK-UHFFFAOYSA-N 0 3 322.474 2.402 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)Oc1ccccc1F ZINC001316827389 1147609400 /nfs/dbraw/zinc/60/94/00/1147609400.db2.gz ZSYYGENEBQRXPO-AWEZNQCLSA-N 0 3 306.381 2.054 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC ZINC001316870318 1147617599 /nfs/dbraw/zinc/61/75/99/1147617599.db2.gz KUVBVPGOBGKKFL-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccnc2ccccc21)C1CC1 ZINC001316920787 1147631567 /nfs/dbraw/zinc/63/15/67/1147631567.db2.gz JVZNHTWSNNRZBM-UHFFFAOYSA-N 0 3 307.397 2.452 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ncoc1C1CC1)C1CC1 ZINC001316928890 1147633296 /nfs/dbraw/zinc/63/32/96/1147633296.db2.gz AHEQTSRPNDTIHN-UHFFFAOYSA-N 0 3 301.390 2.160 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001316963816 1147639675 /nfs/dbraw/zinc/63/96/75/1147639675.db2.gz QTIGSLGWZCQGQN-SFHVURJKSA-N 0 3 319.493 2.433 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001316976220 1147641773 /nfs/dbraw/zinc/64/17/73/1147641773.db2.gz PYODMACVARSNSM-GOSISDBHSA-N 0 3 314.429 2.063 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001316995093 1147646108 /nfs/dbraw/zinc/64/61/08/1147646108.db2.gz TUYMINNRCLPLJA-HNNXBMFYSA-N 0 3 319.453 2.157 20 30 DEEDHN CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)NCc1ccccc1F ZINC001367086153 1147647364 /nfs/dbraw/zinc/64/73/64/1147647364.db2.gz AASDULKRXFWUNI-CYBMUJFWSA-N 0 3 314.364 2.324 20 30 DEEDHN O=C(Cc1ccoc1)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001317014878 1147648480 /nfs/dbraw/zinc/64/84/80/1147648480.db2.gz SDKWYLUMFJGQLB-LJQANCHMSA-N 0 3 322.408 2.358 20 30 DEEDHN O=C(NC[C@H](NCC#Cc1ccccc1)C1CC1)c1ccoc1 ZINC001317017046 1147648595 /nfs/dbraw/zinc/64/85/95/1147648595.db2.gz NIPIKMUDGMJQIN-SFHVURJKSA-N 0 3 308.381 2.429 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C1)C1CC1 ZINC001317071553 1147656057 /nfs/dbraw/zinc/65/60/57/1147656057.db2.gz HIGFPFHFBBIZDU-WKILWMFISA-N 0 3 302.805 2.338 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001367170385 1147659710 /nfs/dbraw/zinc/65/97/10/1147659710.db2.gz XRQSAHMINVSMQL-DOMZBBRYSA-N 0 3 300.830 2.040 20 30 DEEDHN CCC1(C(=O)N[C@H](C)[C@@H]2CCCN(CC#CCOC)C2)CCC1 ZINC001317206237 1147676419 /nfs/dbraw/zinc/67/64/19/1147676419.db2.gz BUNZXQSCCQIJJK-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001317239690 1147681423 /nfs/dbraw/zinc/68/14/23/1147681423.db2.gz DENRJYMXRHFKSO-CHWSQXEVSA-N 0 3 324.371 2.160 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001317272086 1147684898 /nfs/dbraw/zinc/68/48/98/1147684898.db2.gz QNFQONCUFJLJAZ-CVEARBPZSA-N 0 3 308.466 2.337 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cc(F)c[nH]1 ZINC001367381585 1147686746 /nfs/dbraw/zinc/68/67/46/1147686746.db2.gz OPSRZOFZPSVKCQ-SNVBAGLBSA-N 0 3 320.393 2.337 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001317309221 1147688907 /nfs/dbraw/zinc/68/89/07/1147688907.db2.gz GXOMSGKZNZUXQB-AWEZNQCLSA-N 0 3 316.449 2.028 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2csnc2OC)C1 ZINC001317325479 1147690969 /nfs/dbraw/zinc/69/09/69/1147690969.db2.gz TYTQHCCRHCWJFG-ZDUSSCGKSA-N 0 3 323.462 2.446 20 30 DEEDHN Cc1nc(C)c(CN[C@H]2CCC[C@@H](NC(=O)C#CC3CC3)C2)o1 ZINC001317355980 1147695361 /nfs/dbraw/zinc/69/53/61/1147695361.db2.gz ZPMXZFIMTFMUMA-JKSUJKDBSA-N 0 3 315.417 2.222 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c(C)nn(C)c1C)C(C)C ZINC001367491759 1147701571 /nfs/dbraw/zinc/70/15/71/1147701571.db2.gz WOKNICWUJKZNRY-ZDUSSCGKSA-N 0 3 312.845 2.133 20 30 DEEDHN CC(C)C#CC(=O)NCCN(C)Cc1cccc(-n2cccn2)c1 ZINC001317444779 1147709944 /nfs/dbraw/zinc/70/99/44/1147709944.db2.gz UPAPNWWJCCXXPX-UHFFFAOYSA-N 0 3 324.428 2.080 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001317493295 1147715050 /nfs/dbraw/zinc/71/50/50/1147715050.db2.gz VOBNJFUDDBYKAK-UHFFFAOYSA-N 0 3 307.369 2.022 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1cncc2ccccc21 ZINC001317541418 1147722475 /nfs/dbraw/zinc/72/24/75/1147722475.db2.gz WRCWGLZESDKPME-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cnc2ccc(F)cc2c1 ZINC001317548391 1147723521 /nfs/dbraw/zinc/72/35/21/1147723521.db2.gz VDMSVULGMYGDSE-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)C2CCCC2)cc1C#N ZINC001317562408 1147725583 /nfs/dbraw/zinc/72/55/83/1147725583.db2.gz ODGPPWJZARAIRH-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001317629125 1147735352 /nfs/dbraw/zinc/73/53/52/1147735352.db2.gz KZIUMKJKPBRTJU-WBVHZDCISA-N 0 3 320.408 2.273 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)C1 ZINC001317633774 1147736150 /nfs/dbraw/zinc/73/61/50/1147736150.db2.gz RTMVLNKNQICFMD-UHFFFAOYSA-N 0 3 317.389 2.499 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1cnc(C)n1C)c1ccccc1 ZINC001317722724 1147747374 /nfs/dbraw/zinc/74/73/74/1147747374.db2.gz ZBZPVDQZJNUTFD-MRXNPFEDSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCN[C@H](CNC(=O)CCc1ccnc(C)n1)c1ccccc1 ZINC001317722679 1147747511 /nfs/dbraw/zinc/74/75/11/1147747511.db2.gz YOWMWNGDUIFIDZ-GOSISDBHSA-N 0 3 324.428 2.351 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1nc(C)oc1C)c1ccccc1 ZINC001317727759 1147747804 /nfs/dbraw/zinc/74/78/04/1147747804.db2.gz XKIGHNOLWSXBID-INIZCTEOSA-N 0 3 311.385 2.375 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001317819882 1147755180 /nfs/dbraw/zinc/75/51/80/1147755180.db2.gz JQDVIZAGSQBKGT-IAGOWNOFSA-N 0 3 321.509 2.321 20 30 DEEDHN C=C[C@@H](CC(=O)NCC1CN([C@H](C)COC)C1)c1ccccc1 ZINC001318177433 1147791327 /nfs/dbraw/zinc/79/13/27/1147791327.db2.gz WRUJAVNMCHOCBN-WBVHZDCISA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCOCC1 ZINC001318219167 1147800562 /nfs/dbraw/zinc/80/05/62/1147800562.db2.gz AOKMRNSHHYTKMS-PMPSAXMXSA-N 0 3 306.450 2.443 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(CCCOc2ccccc2)C1 ZINC001318384689 1147819190 /nfs/dbraw/zinc/81/91/90/1147819190.db2.gz AQRVYQAFIBKRPI-CVEARBPZSA-N 0 3 315.417 2.148 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCOCc2ccccc2)C1 ZINC001324674011 1147829729 /nfs/dbraw/zinc/82/97/29/1147829729.db2.gz PDIRMCYIVRTLJH-GOSISDBHSA-N 0 3 302.418 2.360 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001325114443 1147876899 /nfs/dbraw/zinc/87/68/99/1147876899.db2.gz MGQYHAWQSAOPJE-SFHVURJKSA-N 0 3 306.450 2.086 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC001326418819 1148096121 /nfs/dbraw/zinc/09/61/21/1148096121.db2.gz LVYFVWUZJUEFJI-LBPRGKRZSA-N 0 3 310.829 2.166 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 ZINC001326495361 1148115681 /nfs/dbraw/zinc/11/56/81/1148115681.db2.gz SPORMLOWFXBVKF-YOEHRIQHSA-N 0 3 300.402 2.156 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNCC=C(Cl)Cl ZINC001326690998 1148204462 /nfs/dbraw/zinc/20/44/62/1148204462.db2.gz KWJQVYNUEVJKHJ-GHMZBOCLSA-N 0 3 304.221 2.436 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCN1C(=O)CCCn1ccnc1C ZINC001368123391 1148253345 /nfs/dbraw/zinc/25/33/45/1148253345.db2.gz OJSZWLGDZVJWEU-HNNXBMFYSA-N 0 3 324.856 2.305 20 30 DEEDHN COc1ccc(Cl)cc1CCNC(=O)[C@H](N)CCCCC#N ZINC001326841397 1148266334 /nfs/dbraw/zinc/26/63/34/1148266334.db2.gz GWSJANQEIOCUKE-CQSZACIVSA-N 0 3 323.824 2.419 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCCC[C@H]2C)CCC1 ZINC001326875566 1148278245 /nfs/dbraw/zinc/27/82/45/1148278245.db2.gz NLBNONFDTAOUKM-HZPDHXFCSA-N 0 3 306.450 2.091 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2c[nH]c3cc(C)ccc23)CCC1 ZINC001326900445 1148285385 /nfs/dbraw/zinc/28/53/85/1148285385.db2.gz UOHIVFQIWKCLTP-UHFFFAOYSA-N 0 3 309.413 2.281 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)Oc2ccc(F)cc2)CCC1 ZINC001326925075 1148292201 /nfs/dbraw/zinc/29/22/01/1148292201.db2.gz XXZTYORREXGGFF-AWEZNQCLSA-N 0 3 318.392 2.245 20 30 DEEDHN C=C(C)COc1cc(CNC[C@]2(O)CCO[C@H]2C)ccc1OC ZINC000278771854 214390049 /nfs/dbraw/zinc/39/00/49/214390049.db2.gz YGQCQFGQMKSGPB-KBXCAEBGSA-N 0 3 321.417 2.280 20 30 DEEDHN CCc1ccc(NC(=[NH2+])NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000262544645 529662465 /nfs/dbraw/zinc/66/24/65/529662465.db2.gz RRSKMAZBJJPJCV-UHFFFAOYSA-N 0 3 312.299 2.313 20 30 DEEDHN CCc1ccc(NC(=[NH2+])NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000262544645 529662467 /nfs/dbraw/zinc/66/24/67/529662467.db2.gz RRSKMAZBJJPJCV-UHFFFAOYSA-N 0 3 312.299 2.313 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248808879 530033186 /nfs/dbraw/zinc/03/31/86/530033186.db2.gz KHWXXHAXHVZNRZ-GUTXKFCHSA-N 0 3 321.446 2.328 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(C2CC2)nn1)C(C)C ZINC000625557543 365829342 /nfs/dbraw/zinc/82/93/42/365829342.db2.gz OQSGZUIHFKBCNO-MRXNPFEDSA-N 0 3 317.437 2.041 20 30 DEEDHN COc1ccc(CN(C)CCN2CCOC(C)(C)C2)cc1C#N ZINC000279762815 215125120 /nfs/dbraw/zinc/12/51/20/215125120.db2.gz ROIWBKHNIQYULI-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN CN(C(=O)CSc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000171487277 186167713 /nfs/dbraw/zinc/16/77/13/186167713.db2.gz MWOMKKKWWQLQTL-UHFFFAOYSA-N 0 3 303.431 2.203 20 30 DEEDHN COC(=O)[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000191863257 186266764 /nfs/dbraw/zinc/26/67/64/186266764.db2.gz KVAQHABZLCSBIV-BBRMVZONSA-N 0 3 302.374 2.068 20 30 DEEDHN C[C@@H]1CN(CCN(C)CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595467919 358457356 /nfs/dbraw/zinc/45/73/56/358457356.db2.gz QSYSDAKBXRSIGY-IYBDPMFKSA-N 0 3 301.434 2.142 20 30 DEEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000595472976 358457986 /nfs/dbraw/zinc/45/79/86/358457986.db2.gz JILFOEZTEGMEBX-YJBOKZPZSA-N 0 3 300.402 2.371 20 30 DEEDHN COC(=O)C[C@@](C)(NCCCSCC#N)c1ccncc1 ZINC000595486628 358462259 /nfs/dbraw/zinc/46/22/59/358462259.db2.gz OXWCRPRNSYOBQJ-OAHLLOKOSA-N 0 3 307.419 2.096 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC000172200405 198057308 /nfs/dbraw/zinc/05/73/08/198057308.db2.gz LLYDQFZFKZDWHC-NCOADZHNSA-N 0 3 306.450 2.369 20 30 DEEDHN C[C@](C#N)(NC(=O)CN1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000329326054 539917889 /nfs/dbraw/zinc/91/78/89/539917889.db2.gz TZYSLRHIWHIFQH-NVXWUHKLSA-N 0 3 304.438 2.195 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccnc2NC(C)C)CC1 ZINC000173160738 198190206 /nfs/dbraw/zinc/19/02/06/198190206.db2.gz NHPSWQCWIZYFRT-UHFFFAOYSA-N 0 3 302.422 2.282 20 30 DEEDHN COCC(C)(C)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595549147 358480878 /nfs/dbraw/zinc/48/08/78/358480878.db2.gz HWQDSKXRRJQDCA-UHFFFAOYSA-N 0 3 301.434 2.143 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCN(C3CCCC3)CC2)c1 ZINC000027118008 354089268 /nfs/dbraw/zinc/08/92/68/354089268.db2.gz FJNJNVOYVBPKBT-UHFFFAOYSA-N 0 3 312.417 2.057 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000028838995 354103926 /nfs/dbraw/zinc/10/39/26/354103926.db2.gz PQANSILRBIQJSN-KRWDZBQOSA-N 0 3 308.385 2.294 20 30 DEEDHN CCN1CCC(N(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000043064720 354212006 /nfs/dbraw/zinc/21/20/06/354212006.db2.gz SMDVLIVYWIPDQI-CQSZACIVSA-N 0 3 315.417 2.268 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCN2CCCCC2)cc1OC ZINC000046855691 354293306 /nfs/dbraw/zinc/29/33/06/354293306.db2.gz VOKDYQSDHUWWHR-UHFFFAOYSA-N 0 3 318.417 2.476 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000051957891 354391540 /nfs/dbraw/zinc/39/15/40/354391540.db2.gz WRBXVPWNIWEAQX-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN COc1cccc(C(=O)NCCNCc2ccc(C#N)s2)c1 ZINC000176957214 198642873 /nfs/dbraw/zinc/64/28/73/198642873.db2.gz FGOHMHQRYJRFSE-UHFFFAOYSA-N 0 3 315.398 2.148 20 30 DEEDHN CN(CCCNC(=O)N1CCC(C#N)CC1)Cc1ccccc1 ZINC000057990559 354585474 /nfs/dbraw/zinc/58/54/74/354585474.db2.gz ALWYZYBLFRWHFO-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1CC1CCCCC1 ZINC000060892959 354620669 /nfs/dbraw/zinc/62/06/69/354620669.db2.gz LHIKYTDZDSYESG-HNNXBMFYSA-N 0 3 307.438 2.433 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066161511 354702180 /nfs/dbraw/zinc/70/21/80/354702180.db2.gz IFNVPDIEFAFUEQ-AWEZNQCLSA-N 0 3 314.389 2.269 20 30 DEEDHN C#CCNC(=O)CCNCc1cccc(OCc2ccccc2)c1 ZINC000064615375 354670902 /nfs/dbraw/zinc/67/09/02/354670902.db2.gz HCFUPUPWHBCGMH-UHFFFAOYSA-N 0 3 322.408 2.495 20 30 DEEDHN C#CCNC(=O)CCNCc1cc(Cl)ccc1OC(F)F ZINC000064615355 354670911 /nfs/dbraw/zinc/67/09/11/354670911.db2.gz WJFDZNLNBCXJGE-UHFFFAOYSA-N 0 3 316.735 2.171 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000066942718 354740337 /nfs/dbraw/zinc/74/03/37/354740337.db2.gz WORISMVKFSEBEN-HNNXBMFYSA-N 0 3 308.422 2.459 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CN(C)C ZINC000066948567 354741338 /nfs/dbraw/zinc/74/13/38/354741338.db2.gz OCARRKAUWWWRQO-ZBFHGGJFSA-N 0 3 315.417 2.268 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2CN(C)C)CC1 ZINC000072841190 354924470 /nfs/dbraw/zinc/92/44/70/354924470.db2.gz CYVPVTFIRDJFGV-UHFFFAOYSA-N 0 3 313.445 2.340 20 30 DEEDHN C=CC[C@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073769842 354981265 /nfs/dbraw/zinc/98/12/65/354981265.db2.gz VZKMNTZWIBYFJU-INIZCTEOSA-N 0 3 301.434 2.280 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000074494923 355033597 /nfs/dbraw/zinc/03/35/97/355033597.db2.gz DVMINKWAVLKHCH-INIZCTEOSA-N 0 3 300.406 2.184 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H]1CCO ZINC000077285157 355195879 /nfs/dbraw/zinc/19/58/79/355195879.db2.gz IKFWABHSVGLBRP-HNNXBMFYSA-N 0 3 304.390 2.183 20 30 DEEDHN C=CCCC[C@@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000091580773 355601872 /nfs/dbraw/zinc/60/18/72/355601872.db2.gz QXDHDDGEVLZWPM-OAHLLOKOSA-N 0 3 303.454 2.409 20 30 DEEDHN N#Cc1ccncc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000091676600 355605730 /nfs/dbraw/zinc/60/57/30/355605730.db2.gz SVGBALAWZNQFHE-IAGOWNOFSA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1ccc(SCC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000108298179 355733878 /nfs/dbraw/zinc/73/38/78/355733878.db2.gz FRVUDGDUADNZFK-OAHLLOKOSA-N 0 3 315.442 2.251 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)cn1 ZINC000119551471 355787343 /nfs/dbraw/zinc/78/73/43/355787343.db2.gz LBQNFMHCNWYWJD-KDOFPFPSSA-N 0 3 320.396 2.204 20 30 DEEDHN CCOC(=O)CCN(Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000135022679 355863589 /nfs/dbraw/zinc/86/35/89/355863589.db2.gz PYNDWGAPGQGODK-UHFFFAOYSA-N 0 3 302.374 2.484 20 30 DEEDHN CC1CCN(CCNC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000171483970 356003301 /nfs/dbraw/zinc/00/33/01/356003301.db2.gz RVJXRZZKHOYMPP-UHFFFAOYSA-N 0 3 318.396 2.228 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000182761981 356144761 /nfs/dbraw/zinc/14/47/61/356144761.db2.gz PQJBGKHBGYQBBJ-HNNXBMFYSA-N 0 3 314.433 2.452 20 30 DEEDHN N#CC[C@@H]1CCCN(CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000595609047 358500987 /nfs/dbraw/zinc/50/09/87/358500987.db2.gz FMOWEUBGENERFZ-AWEZNQCLSA-N 0 3 314.389 2.350 20 30 DEEDHN C[C@H]1CC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000230421741 356283411 /nfs/dbraw/zinc/28/34/11/356283411.db2.gz SVQGJJMRTXBABC-DZGCQCFKSA-N 0 3 306.431 2.358 20 30 DEEDHN COc1ccccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000321471912 356449622 /nfs/dbraw/zinc/44/96/22/356449622.db2.gz AAHSXYGITHVYPD-INIZCTEOSA-N 0 3 312.369 2.096 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(OC)n[nH]1)C(C)C ZINC000626703817 366276810 /nfs/dbraw/zinc/27/68/10/366276810.db2.gz RFJJGWLYFQAPHO-ZDUSSCGKSA-N 0 3 321.425 2.238 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCOCC3(CCCC3)C2)cc1 ZINC000368417293 283188803 /nfs/dbraw/zinc/18/88/03/283188803.db2.gz QXRJJIFNKSATJC-QGZVFWFLSA-N 0 3 300.402 2.484 20 30 DEEDHN C[C@@H]1CCN(c2ncncc2C#N)CCN1Cc1ccccc1 ZINC000383074032 356678943 /nfs/dbraw/zinc/67/89/43/356678943.db2.gz RVOPPVMWKDBNBX-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000581367823 357175277 /nfs/dbraw/zinc/17/52/77/357175277.db2.gz VJLDGHRPWJFSKE-CABCVRRESA-N 0 3 302.374 2.056 20 30 DEEDHN N#Cc1ncn(CCNCc2c(Cl)ccc3cccnc32)n1 ZINC000586782574 357369694 /nfs/dbraw/zinc/36/96/94/357369694.db2.gz YOCHSKPQFRRXKZ-UHFFFAOYSA-N 0 3 312.764 2.141 20 30 DEEDHN Cn1cc(CNC[C@@H](O)C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000590663624 357575128 /nfs/dbraw/zinc/57/51/28/357575128.db2.gz QQTDXOIJJHYRPK-QGZVFWFLSA-N 0 3 310.401 2.209 20 30 DEEDHN CCOc1ccnc(N2CCCN(C[C@@H](C)CCC#N)CC2)n1 ZINC000590594081 357562572 /nfs/dbraw/zinc/56/25/72/357562572.db2.gz MIKDPLPBFVDZFB-HNNXBMFYSA-N 0 3 317.437 2.327 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000590758949 357603773 /nfs/dbraw/zinc/60/37/73/357603773.db2.gz BBASYCAPCNHLHH-KGLIPLIRSA-N 0 3 319.430 2.498 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)s1 ZINC000591549903 357735482 /nfs/dbraw/zinc/73/54/82/357735482.db2.gz GHIMXPUYDOQEFX-UHFFFAOYSA-N 0 3 318.446 2.390 20 30 DEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1Cl ZINC000591573372 357736728 /nfs/dbraw/zinc/73/67/28/357736728.db2.gz QBICSLQTHHXACH-JKSUJKDBSA-N 0 3 305.809 2.068 20 30 DEEDHN CO[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000591629736 357746340 /nfs/dbraw/zinc/74/63/40/357746340.db2.gz MLCVIJDZFHRPGV-ZIAGYGMSSA-N 0 3 309.797 2.165 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000592233753 357855287 /nfs/dbraw/zinc/85/52/87/357855287.db2.gz AGDHUZSCKITSQK-ZADCQDASSA-N 0 3 317.374 2.261 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(O)c2)CC1 ZINC000592526140 357895410 /nfs/dbraw/zinc/89/54/10/357895410.db2.gz UBEFHLXMYGAAJK-UHFFFAOYSA-N 0 3 303.406 2.184 20 30 DEEDHN C=CCN(C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@H](C)COC ZINC000665271871 540349614 /nfs/dbraw/zinc/34/96/14/540349614.db2.gz UBQLYKFOHNUCHT-OAGGEKHMSA-N 0 3 309.454 2.236 20 30 DEEDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(C#N)c1 ZINC000179976423 199101458 /nfs/dbraw/zinc/10/14/58/199101458.db2.gz WJNLKHSHELKQBT-CZUORRHYSA-N 0 3 302.374 2.131 20 30 DEEDHN CCOC(=O)[C@](C)(CNC(=O)C(C#N)CC)c1ccccc1 ZINC000593642291 358116589 /nfs/dbraw/zinc/11/65/89/358116589.db2.gz FEHKFFGAOZZGLX-CXAGYDPISA-N 0 3 302.374 2.173 20 30 DEEDHN Cc1csc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1C#N ZINC000594105892 358207052 /nfs/dbraw/zinc/20/70/52/358207052.db2.gz SSTMJQOUPHJASU-WCQYABFASA-N 0 3 304.419 2.486 20 30 DEEDHN CCC(C)(C)N1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000594132076 358212203 /nfs/dbraw/zinc/21/22/03/358212203.db2.gz WBZBRFBFOSOBJO-UHFFFAOYSA-N 0 3 301.394 2.291 20 30 DEEDHN C[C@H](Cc1ccccn1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000594140203 358212858 /nfs/dbraw/zinc/21/28/58/358212858.db2.gz JGUZMYJUBMKXDC-RHSMWYFYSA-N 0 3 318.380 2.383 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccc(=O)[nH]c1 ZINC000594358201 358248382 /nfs/dbraw/zinc/24/83/82/358248382.db2.gz RDBSDTLPOCGLQV-MRXNPFEDSA-N 0 3 309.369 2.218 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000594424817 358265962 /nfs/dbraw/zinc/26/59/62/358265962.db2.gz CMZJGTADHNHSIT-JTQLQIEISA-N 0 3 311.288 2.358 20 30 DEEDHN COc1cc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)ccc1C#N ZINC000594965051 358370468 /nfs/dbraw/zinc/37/04/68/358370468.db2.gz HUGBRHGIYXWXJN-PZPWOCDFSA-N 0 3 306.431 2.346 20 30 DEEDHN C=CCN(CC(=O)N1CCCC[C@H]1C(=O)OCC)C(C)(C)C ZINC000595762790 358542550 /nfs/dbraw/zinc/54/25/50/358542550.db2.gz GFAJEJVPPWDXHM-AWEZNQCLSA-N 0 3 310.438 2.217 20 30 DEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000595897965 358576019 /nfs/dbraw/zinc/57/60/19/358576019.db2.gz LOTKSERJGCXECI-GUYJKWIASA-N 0 3 302.349 2.375 20 30 DEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1cc(C#N)ccc1OC ZINC000595899586 358576053 /nfs/dbraw/zinc/57/60/53/358576053.db2.gz ZPBJEMDXOOWHEJ-OSRSDYAFSA-N 0 3 314.385 2.244 20 30 DEEDHN C[C@H]1CN(c2cc(C#N)cnn2)[C@@H](C)CN1Cc1ccccc1 ZINC000596176360 358630263 /nfs/dbraw/zinc/63/02/63/358630263.db2.gz DXDBQPUCXUUOLH-GJZGRUSLSA-N 0 3 307.401 2.447 20 30 DEEDHN CS[C@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1N(C)C ZINC000596181302 358632863 /nfs/dbraw/zinc/63/28/63/358632863.db2.gz ZLWCKDMMDBDUNQ-BDAKNGLRSA-N 0 3 302.856 2.150 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cnccc1C(F)(F)F ZINC000595991812 358590667 /nfs/dbraw/zinc/59/06/67/358590667.db2.gz LJTTTYKWINLEOE-GFCCVEGCSA-N 0 3 314.311 2.128 20 30 DEEDHN N#Cc1nccnc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596443494 358688263 /nfs/dbraw/zinc/68/82/63/358688263.db2.gz YABSHWMEQWLJTE-UHFFFAOYSA-N 0 3 308.389 2.067 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000596671083 358736834 /nfs/dbraw/zinc/73/68/34/358736834.db2.gz YJWYCFIQTBILFU-KRWDZBQOSA-N 0 3 314.433 2.225 20 30 DEEDHN CN(CCN1CCCC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618851218 363617873 /nfs/dbraw/zinc/61/78/73/363617873.db2.gz MBMHCMAVKVSKPX-QGZVFWFLSA-N 0 3 312.417 2.283 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)NCC3(C#N)CCCCC3)[C@@H]2C1 ZINC000596868604 358778842 /nfs/dbraw/zinc/77/88/42/358778842.db2.gz KFEVJBHFUFQCIC-LSDHHAIUSA-N 0 3 304.438 2.196 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)[C@@H]2C1 ZINC000618854321 363617117 /nfs/dbraw/zinc/61/71/17/363617117.db2.gz VAAMFUMXSJTYCU-FHLIZLRMSA-N 0 3 324.428 2.281 20 30 DEEDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCCC#N)CC1 ZINC000597616044 358963528 /nfs/dbraw/zinc/96/35/28/358963528.db2.gz BSMJTCHDXLUWHJ-INIZCTEOSA-N 0 3 323.481 2.400 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)[C@H]2C1 ZINC000597484675 358930200 /nfs/dbraw/zinc/93/02/00/358930200.db2.gz PVJDJMKRBKJVAL-BONVTDFDSA-N 0 3 305.328 2.003 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@]1(C)CO ZINC000598443274 359200980 /nfs/dbraw/zinc/20/09/80/359200980.db2.gz WPGRYFKLARLTDK-KYJSFNMBSA-N 0 3 300.402 2.236 20 30 DEEDHN CN(C)C(=O)C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598602249 359257691 /nfs/dbraw/zinc/25/76/91/359257691.db2.gz MPBUYEOCBDRQTQ-HOTGVXAUSA-N 0 3 317.433 2.096 20 30 DEEDHN COc1ccc2c(c1)OCC[C@H]2NC[C@H](O)CC(C)(C)C#N ZINC000598722250 359305597 /nfs/dbraw/zinc/30/55/97/359305597.db2.gz ZKGWZEMQNRACKA-IUODEOHRSA-N 0 3 304.390 2.409 20 30 DEEDHN COc1cc2c(cc1CNC[C@@H](O)CC(C)(C)C#N)O[C@H](C)C2 ZINC000598725349 359306290 /nfs/dbraw/zinc/30/62/90/359306290.db2.gz OEDGKYASUTUXMN-DOMZBBRYSA-N 0 3 318.417 2.409 20 30 DEEDHN CC(C)N(CC(=O)N1CCCCCC1)C[C@H](O)CC(C)(C)C#N ZINC000598615959 359261763 /nfs/dbraw/zinc/26/17/63/359261763.db2.gz HKSLXWAIJKDVNS-MRXNPFEDSA-N 0 3 323.481 2.400 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000598619489 359262462 /nfs/dbraw/zinc/26/24/62/359262462.db2.gz DCLHSBPEFCDHPS-CHWSQXEVSA-N 0 3 321.387 2.103 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000598618424 359262600 /nfs/dbraw/zinc/26/26/00/359262600.db2.gz YDHBUTZIZOZXQE-ZNMIVQPWSA-N 0 3 308.447 2.057 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC000188062202 200188283 /nfs/dbraw/zinc/18/82/83/200188283.db2.gz HLBRUFWYGDSJHM-UHFFFAOYSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccnc2C(F)(F)F)CC1 ZINC000188377811 200236335 /nfs/dbraw/zinc/23/63/35/200236335.db2.gz ZUUZOKUJJIFVKX-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN CN(CCNC(=O)C(C#N)CCc1ccccc1)CC(F)F ZINC000600801606 359832475 /nfs/dbraw/zinc/83/24/75/359832475.db2.gz JBSRPCQEOVOURN-AWEZNQCLSA-N 0 3 309.360 2.072 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccnc(SCC)c2)CC1 ZINC000189092774 200347123 /nfs/dbraw/zinc/34/71/23/200347123.db2.gz MYOHASMFHSVEGG-UHFFFAOYSA-N 0 3 317.458 2.155 20 30 DEEDHN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)CCCN(C)C ZINC000601321834 360007655 /nfs/dbraw/zinc/00/76/55/360007655.db2.gz UMJLCVDVNDYBEH-UHFFFAOYSA-N 0 3 323.462 2.050 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000601548284 360069886 /nfs/dbraw/zinc/06/98/86/360069886.db2.gz NPHYJCICDNVSJY-HZPDHXFCSA-N 0 3 319.380 2.217 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1ccccc1 ZINC000602509107 360409958 /nfs/dbraw/zinc/40/99/58/360409958.db2.gz GLXXZPWAADERJQ-HOTGVXAUSA-N 0 3 318.417 2.115 20 30 DEEDHN CNC(=O)c1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602513321 360411907 /nfs/dbraw/zinc/41/19/07/360411907.db2.gz WDNKOISRJAHFAW-AWEZNQCLSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)n1cccn1)C(C)C ZINC000668682729 540709045 /nfs/dbraw/zinc/70/90/45/540709045.db2.gz NIBCSEFLRZXBDJ-INIZCTEOSA-N 0 3 318.465 2.433 20 30 DEEDHN C[C@@H]1OCC[C@@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000602759197 360538539 /nfs/dbraw/zinc/53/85/39/360538539.db2.gz QASNNZSRLPKYKW-UONOGXRCSA-N 0 3 303.381 2.244 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN(C)CCCC ZINC000668730518 540718459 /nfs/dbraw/zinc/71/84/59/540718459.db2.gz PGHXZLHGWQEVDJ-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000603138500 360716492 /nfs/dbraw/zinc/71/64/92/360716492.db2.gz JYBKOZMMHMFMCN-INIZCTEOSA-N 0 3 321.384 2.349 20 30 DEEDHN N#Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000603138502 360716942 /nfs/dbraw/zinc/71/69/42/360716942.db2.gz JYBKOZMMHMFMCN-MRXNPFEDSA-N 0 3 321.384 2.349 20 30 DEEDHN C[C@H]1CCCC[C@@H]1OCCNCc1cnc2c(C#N)cnn2c1 ZINC000609006675 361275549 /nfs/dbraw/zinc/27/55/49/361275549.db2.gz QGWCQEPVJVDXJY-BBRMVZONSA-N 0 3 313.405 2.286 20 30 DEEDHN CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCCN(C)C1 ZINC000610187695 361365794 /nfs/dbraw/zinc/36/57/94/361365794.db2.gz ZBJHBKRXONUVJR-OAHLLOKOSA-N 0 3 310.401 2.331 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccc(C#N)c1 ZINC000610353802 361388609 /nfs/dbraw/zinc/38/86/09/361388609.db2.gz JJHLXAGKMGUKBK-SUMWQHHRSA-N 0 3 312.417 2.403 20 30 DEEDHN Cc1ncsc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000610270858 361377342 /nfs/dbraw/zinc/37/73/42/361377342.db2.gz KOXFFRWKVVPSTL-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN N#CCCCOc1cccc(CN[C@]2(CCO)CCOC2)c1 ZINC000447073897 238887552 /nfs/dbraw/zinc/88/75/52/238887552.db2.gz AAUCQPZIDXRXOI-QGZVFWFLSA-N 0 3 304.390 2.000 20 30 DEEDHN N#Cc1csc(CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000611254101 361563326 /nfs/dbraw/zinc/56/33/26/361563326.db2.gz UQRFUYKCGCKEFO-OAHLLOKOSA-N 0 3 305.447 2.306 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000611204960 361547410 /nfs/dbraw/zinc/54/74/10/361547410.db2.gz CIMAYOVFUDFJOM-LSDHHAIUSA-N 0 3 307.438 2.076 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3cc4ccccc4n3CC#N)[C@@H]2C1 ZINC000611521108 361621112 /nfs/dbraw/zinc/62/11/12/361621112.db2.gz VTOFMLJZZRWWLU-KBXCAEBGSA-N 0 3 322.412 2.331 20 30 DEEDHN Cc1ccccc1CN1CCCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000611634674 361650198 /nfs/dbraw/zinc/65/01/98/361650198.db2.gz CWLUHMXSAKLUAQ-HNNXBMFYSA-N 0 3 314.433 2.372 20 30 DEEDHN C[C@H](N[C@@H](C)[C@H]1CCOC1)C(=O)N(CCC#N)c1ccccc1 ZINC000266328733 299344446 /nfs/dbraw/zinc/34/44/46/299344446.db2.gz VFMIONQCNWQBQN-JYJNAYRXSA-N 0 3 315.417 2.336 20 30 DEEDHN C=CCOc1c(Cl)cc(CNCCC(=O)NC)cc1OC ZINC000623377874 365007859 /nfs/dbraw/zinc/00/78/59/365007859.db2.gz MUAYEOAJLPAERA-UHFFFAOYSA-N 0 3 312.797 2.139 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2cc(C#N)n(C)c2)C[C@H]1c1ccccc1 ZINC000449752848 241038707 /nfs/dbraw/zinc/03/87/07/241038707.db2.gz DJRCMAKHGGGDLR-ROUUACIJSA-N 0 3 323.396 2.285 20 30 DEEDHN Cc1c(Cl)cnc(N[C@@H]2CCCN(CCCO)C2)c1C#N ZINC000450606910 242006111 /nfs/dbraw/zinc/00/61/11/242006111.db2.gz AEPSKBJVKPSLHT-GFCCVEGCSA-N 0 3 308.813 2.174 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CCCC1 ZINC000450716157 242141046 /nfs/dbraw/zinc/14/10/46/242141046.db2.gz XRXUYZKQSXXAJI-INIZCTEOSA-N 0 3 307.482 2.265 20 30 DEEDHN C[C@@H]1CN(C2CCN(Cc3cc(C#N)cs3)CC2)CCO1 ZINC000092079819 193154825 /nfs/dbraw/zinc/15/48/25/193154825.db2.gz DSRHNEDQDIEEDB-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)[C@@H](CO)C(C)C ZINC000451600533 243178930 /nfs/dbraw/zinc/17/89/30/243178930.db2.gz SDIXAXHCAXSUTO-FUHWJXTLSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700527 243321663 /nfs/dbraw/zinc/32/16/63/243321663.db2.gz GLJDRUSJJMYZPU-VVLHAWIVSA-N 0 3 306.450 2.058 20 30 DEEDHN C=CCOc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000678237973 541696764 /nfs/dbraw/zinc/69/67/64/541696764.db2.gz NNIXCPXEDPPIPS-RBUKOAKNSA-N 0 3 316.445 2.282 20 30 DEEDHN C=CCC[C@@H](O)CN(CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451714837 243354678 /nfs/dbraw/zinc/35/46/78/243354678.db2.gz QCUGMCPZHIHKNY-GDBMZVCRSA-N 0 3 318.417 2.015 20 30 DEEDHN C=C(C)[C@H](CO)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000678744685 541760823 /nfs/dbraw/zinc/76/08/23/541760823.db2.gz MLTVLUYTESTSQR-CVEARBPZSA-N 0 3 320.433 2.131 20 30 DEEDHN C#CCCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000264947762 204295054 /nfs/dbraw/zinc/29/50/54/204295054.db2.gz ARRVZRCASCJMLM-QGZVFWFLSA-N 0 3 315.417 2.155 20 30 DEEDHN C=CCOCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679628840 541884377 /nfs/dbraw/zinc/88/43/77/541884377.db2.gz MABSYALGKRHHDY-KRWDZBQOSA-N 0 3 317.433 2.105 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CN1C1CC1 ZINC000454647431 246025331 /nfs/dbraw/zinc/02/53/31/246025331.db2.gz CSPJNYBWTAKSSH-BXUZGUMPSA-N 0 3 316.380 2.122 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679873424 541921727 /nfs/dbraw/zinc/92/17/27/541921727.db2.gz HABKYOKMOMNNDG-NWDGAFQWSA-N 0 3 303.328 2.476 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](CC)c1ccc(Cl)cc1 ZINC000024253541 182377881 /nfs/dbraw/zinc/37/78/81/182377881.db2.gz RXZYVXVFHUMBEC-CYBMUJFWSA-N 0 3 309.797 2.393 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000024377440 182379505 /nfs/dbraw/zinc/37/95/05/182379505.db2.gz LZDNVIWJSNMPGI-MNOVXSKESA-N 0 3 309.797 2.391 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC1(CO)CCSCC1 ZINC000458073440 248137149 /nfs/dbraw/zinc/13/71/49/248137149.db2.gz IADNMYXVMOBAPT-OAHLLOKOSA-N 0 3 318.442 2.133 20 30 DEEDHN Cc1cc(C#N)nc(NCC2(N3CCSCC3)CCCC2)n1 ZINC000286020216 218750632 /nfs/dbraw/zinc/75/06/32/218750632.db2.gz FUTADHHUMJYOAE-UHFFFAOYSA-N 0 3 317.462 2.430 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000295806861 532974820 /nfs/dbraw/zinc/97/48/20/532974820.db2.gz BJTJSBCVAJIXCF-COLVAYQJSA-N 0 3 319.405 2.356 20 30 DEEDHN C=CCCS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000119872133 195053917 /nfs/dbraw/zinc/05/39/17/195053917.db2.gz KRJYVFWAEIBTQH-ZIAGYGMSSA-N 0 3 302.484 2.238 20 30 DEEDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000362713994 285110820 /nfs/dbraw/zinc/11/08/20/285110820.db2.gz GEDZQJQPBFHBQS-OAUYIBNBSA-N 0 3 322.380 2.168 20 30 DEEDHN N#CCCn1cc(CN2CCC[C@H](O)C2)c(-c2ccccc2)n1 ZINC000158750841 197298729 /nfs/dbraw/zinc/29/87/29/197298729.db2.gz GHQNZDLRNLCSTB-KRWDZBQOSA-N 0 3 310.401 2.420 20 30 DEEDHN Cc1nsc(NCc2ccnc(OCCN(C)C)c2)c1C#N ZINC000286482835 219013541 /nfs/dbraw/zinc/01/35/41/219013541.db2.gz LRZSTSPXNVLVEO-UHFFFAOYSA-N 0 3 317.418 2.271 20 30 DEEDHN COCC1(C#N)CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000342005724 533111505 /nfs/dbraw/zinc/11/15/05/533111505.db2.gz ZPVVJQRQOBMNLP-QGZVFWFLSA-N 0 3 302.418 2.232 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000543691593 285303259 /nfs/dbraw/zinc/30/32/59/285303259.db2.gz YRWMJJJOASJPFP-BMIGLBTASA-N 0 3 303.793 2.424 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cccnc1 ZINC001099017506 781983890 /nfs/dbraw/zinc/98/38/90/781983890.db2.gz SQOQBLGBVPLHMA-MRXNPFEDSA-N 0 3 301.434 2.417 20 30 DEEDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C#N)o2)CC1 ZINC000340292157 131334680 /nfs/dbraw/zinc/33/46/80/131334680.db2.gz RYXYQQQYOPTDBN-UHFFFAOYSA-N 0 3 313.357 2.481 20 30 DEEDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000362713993 133247438 /nfs/dbraw/zinc/24/74/38/133247438.db2.gz GEDZQJQPBFHBQS-JCURWCKSSA-N 0 3 322.380 2.168 20 30 DEEDHN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cccc(C#N)c1 ZINC000376520470 133298910 /nfs/dbraw/zinc/29/89/10/133298910.db2.gz KVJHFMYXRVVOPL-CXAGYDPISA-N 0 3 310.401 2.475 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000372695844 133362563 /nfs/dbraw/zinc/36/25/63/133362563.db2.gz NXLPRPWZVAIZMB-ROUUACIJSA-N 0 3 317.408 2.430 20 30 DEEDHN Cn1cc(CNCc2ccc(Cn3cccn3)cc2)cc1C#N ZINC000190720346 145047356 /nfs/dbraw/zinc/04/73/56/145047356.db2.gz UPMNEOQMBAVLMN-UHFFFAOYSA-N 0 3 305.385 2.431 20 30 DEEDHN COC(=O)[C@](C)(CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000191542936 145060415 /nfs/dbraw/zinc/06/04/15/145060415.db2.gz VDKRTHYIQZSEKZ-GOSISDBHSA-N 0 3 311.385 2.117 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1F ZINC000192021150 145069572 /nfs/dbraw/zinc/06/95/72/145069572.db2.gz MFKKGTVOGZSXRF-MRXNPFEDSA-N 0 3 317.408 2.242 20 30 DEEDHN CO[C@H](CNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000550830380 285878495 /nfs/dbraw/zinc/87/84/95/285878495.db2.gz ADXVMTLLCGFBIY-MRXNPFEDSA-N 0 3 307.357 2.078 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC([C@@H]3CCOC3)CC2)CC1 ZINC000364650660 404485981 /nfs/dbraw/zinc/48/59/81/404485981.db2.gz VCARQWUBXFCZMM-MRXNPFEDSA-N 0 3 321.465 2.095 20 30 DEEDHN CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N1CCc2ccccc2C1 ZINC000346685105 146123714 /nfs/dbraw/zinc/12/37/14/146123714.db2.gz IKBACPDAFMUILN-SFHVURJKSA-N 0 3 322.412 2.453 20 30 DEEDHN C[C@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(F)F ZINC000359044651 147252644 /nfs/dbraw/zinc/25/26/44/147252644.db2.gz IVSXHCQYNOTBSY-WFASDCNBSA-N 0 3 321.371 2.350 20 30 DEEDHN Cc1ccccc1CN1CCC(Nc2ncncc2C#N)CC1 ZINC000566065087 292201432 /nfs/dbraw/zinc/20/14/32/292201432.db2.gz GTQYOKBEMCECBH-UHFFFAOYSA-N 0 3 307.401 2.155 20 30 DEEDHN C[C@H](NCCn1cccn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112548147 401748783 /nfs/dbraw/zinc/74/87/83/401748783.db2.gz UVLVIULBUFYBKF-NSHDSACASA-N 0 3 317.780 2.025 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000074132477 401731252 /nfs/dbraw/zinc/73/12/52/401731252.db2.gz RRWIYYLSNWWDPZ-YJBOKZPZSA-N 0 3 323.481 2.482 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(COC)CC2)CC1 ZINC000112453755 401745885 /nfs/dbraw/zinc/74/58/85/401745885.db2.gz SIDBISVTSPOMSE-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN CCOC(=O)C1CCC(O)(CNCc2ccc(C#N)s2)CC1 ZINC000566118966 292207053 /nfs/dbraw/zinc/20/70/53/292207053.db2.gz MCLOZQZKKZSWBV-UHFFFAOYSA-N 0 3 322.430 2.194 20 30 DEEDHN N#Cc1cccc(OCCN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000110850241 401694776 /nfs/dbraw/zinc/69/47/76/401694776.db2.gz HZFFFBBHIYMIQT-OAHLLOKOSA-N 0 3 302.374 2.022 20 30 DEEDHN CCOc1cccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000112537322 401748199 /nfs/dbraw/zinc/74/81/99/401748199.db2.gz ZJSHTJYIXMKHOK-UONOGXRCSA-N 0 3 303.406 2.496 20 30 DEEDHN C=CCNc1ncc(C(=O)N(C)CC2CCN(C)CC2)s1 ZINC000128658658 401786899 /nfs/dbraw/zinc/78/68/99/401786899.db2.gz FGXJYGFZRGYTJW-UHFFFAOYSA-N 0 3 308.451 2.155 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ncc(C)s2)CC1 ZINC000078331635 401847328 /nfs/dbraw/zinc/84/73/28/401847328.db2.gz ZGIOUROHOAWWPF-GFCCVEGCSA-N 0 3 308.451 2.462 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cc(C)cc1C ZINC000078700518 401862629 /nfs/dbraw/zinc/86/26/29/401862629.db2.gz SXOOMFALBQGXGR-CQSZACIVSA-N 0 3 309.431 2.217 20 30 DEEDHN CC#CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000135281047 401933667 /nfs/dbraw/zinc/93/36/67/401933667.db2.gz BCUWFAWFLQELGH-UHFFFAOYSA-N 0 3 305.447 2.283 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1 ZINC000080662608 401891665 /nfs/dbraw/zinc/89/16/65/401891665.db2.gz HQIZKBIJOFFYQA-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN CCOc1ccnc(N2CCCN(CCCCC#N)CC2)n1 ZINC000135763538 401952893 /nfs/dbraw/zinc/95/28/93/401952893.db2.gz XFNRXXAQSTUYCG-UHFFFAOYSA-N 0 3 303.410 2.081 20 30 DEEDHN C=CCCS(=O)(=O)NC1CCN(CC2CCCC2)CC1 ZINC000120005764 401973718 /nfs/dbraw/zinc/97/37/18/401973718.db2.gz WHKGWGZENDAITC-UHFFFAOYSA-N 0 3 300.468 2.137 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093064766 402011286 /nfs/dbraw/zinc/01/12/86/402011286.db2.gz DUFMJQIOSLRZFO-HNNXBMFYSA-N 0 3 317.433 2.395 20 30 DEEDHN CC(C)(CCC#N)CN1CCC[C@H]1C(=O)N1CCSCC1 ZINC000092673551 402007323 /nfs/dbraw/zinc/00/73/23/402007323.db2.gz MYYMXGZAFTYZBL-AWEZNQCLSA-N 0 3 309.479 2.356 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCN2CCCC2)cc1OC ZINC000055177413 402077426 /nfs/dbraw/zinc/07/74/26/402077426.db2.gz WNZKDBCUIDJOAG-UHFFFAOYSA-N 0 3 304.390 2.086 20 30 DEEDHN CS[C@H](CO)[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000152468522 402096832 /nfs/dbraw/zinc/09/68/32/402096832.db2.gz DXIFYLKCQPSAGQ-CZUORRHYSA-N 0 3 307.463 2.238 20 30 DEEDHN Cc1ccccc1CN1CCC(NC(=O)CSCC#N)CC1 ZINC000058400174 402100663 /nfs/dbraw/zinc/10/06/63/402100663.db2.gz JNBKQUNDLJAUPY-UHFFFAOYSA-N 0 3 317.458 2.332 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 ZINC000153399627 402142972 /nfs/dbraw/zinc/14/29/72/402142972.db2.gz RQUQZJRNCJZPQJ-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc(C#N)cc1 ZINC000103510445 402191783 /nfs/dbraw/zinc/19/17/83/402191783.db2.gz NBLUHAIDAWKMHR-UHFFFAOYSA-N 0 3 300.406 2.041 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccn1 ZINC000068310637 402192988 /nfs/dbraw/zinc/19/29/88/402192988.db2.gz PLOFDOBZNJCZLR-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN CN1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000102802815 402172300 /nfs/dbraw/zinc/17/23/00/402172300.db2.gz RZCHAYSDZMHHDL-UHFFFAOYSA-N 0 3 324.331 2.375 20 30 DEEDHN Cc1nccn1CCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000125233316 402220380 /nfs/dbraw/zinc/22/03/80/402220380.db2.gz JKJFMBMCOAQSPL-LJQANCHMSA-N 0 3 323.444 2.464 20 30 DEEDHN C#CCN1CCC(C(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000108706847 402260156 /nfs/dbraw/zinc/26/01/56/402260156.db2.gz MAGVCGXSQXYZQQ-UHFFFAOYSA-N 0 3 320.820 2.180 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC000155591444 402261868 /nfs/dbraw/zinc/26/18/68/402261868.db2.gz WMCDCZUTZKLFDB-SFHVURJKSA-N 0 3 314.429 2.437 20 30 DEEDHN C#CCN(C[C@H](O)COc1ccc2c(c1)OCO2)C1CCCC1 ZINC000155878438 402269522 /nfs/dbraw/zinc/26/95/22/402269522.db2.gz GCAOPFJMSNPITE-HNNXBMFYSA-N 0 3 317.385 2.033 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cccnc2)CC1 ZINC000109360640 402272068 /nfs/dbraw/zinc/27/20/68/402272068.db2.gz YHQTZHQOSOGCKC-UHFFFAOYSA-N 0 3 302.422 2.264 20 30 DEEDHN N#Cc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)ccc1F ZINC000176089731 402277828 /nfs/dbraw/zinc/27/78/28/402277828.db2.gz LODBWJVPKFXUKC-CQSZACIVSA-N 0 3 300.337 2.175 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000176822104 402340456 /nfs/dbraw/zinc/34/04/56/402340456.db2.gz RVGGROQWKZWIJD-CQSZACIVSA-N 0 3 300.406 2.110 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(COC)CC2)CC1 ZINC000185384117 402348869 /nfs/dbraw/zinc/34/88/69/402348869.db2.gz LYHLDRHKVFKEIC-UHFFFAOYSA-N 0 3 307.438 2.015 20 30 DEEDHN CC1(C)[C@@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000177156108 402376449 /nfs/dbraw/zinc/37/64/49/402376449.db2.gz QPGBJQQBDSNLAT-FRRDWIJNSA-N 0 3 301.415 2.313 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2CCN(C(=O)OCC)C2)cc1 ZINC000185778168 402376521 /nfs/dbraw/zinc/37/65/21/402376521.db2.gz JITYYIRPXPUKHE-MRXNPFEDSA-N 0 3 316.401 2.409 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185795933 402377609 /nfs/dbraw/zinc/37/76/09/402377609.db2.gz KHWXXHAXHVZNRZ-YDHLFZDLSA-N 0 3 321.446 2.328 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)C2(C#N)CCCCC2)C[C@H](C)O1 ZINC000176684269 402328238 /nfs/dbraw/zinc/32/82/38/402328238.db2.gz INTQKJFHGOLUAG-HOTGVXAUSA-N 0 3 321.465 2.466 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nc(SC)ns2)CC1 ZINC000177685924 402426647 /nfs/dbraw/zinc/42/66/47/402426647.db2.gz BBYTYTTYLTVXEE-UHFFFAOYSA-N 0 3 313.452 2.032 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000163873524 402459125 /nfs/dbraw/zinc/45/91/25/402459125.db2.gz NWVAMBXSCNLCQN-UHFFFAOYSA-N 0 3 300.402 2.112 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1cc(Cl)cn1)C(C)C ZINC000350917035 404491641 /nfs/dbraw/zinc/49/16/41/404491641.db2.gz GUZCOQUCVHOGHG-HNNXBMFYSA-N 0 3 324.856 2.351 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(-n3cccn3)ccc2C)CC1 ZINC000189825459 402561102 /nfs/dbraw/zinc/56/11/02/402561102.db2.gz UJBKZZUAHFWFPK-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCCOc2ccccc2C#N)C1(C)C ZINC000189991111 402569093 /nfs/dbraw/zinc/56/90/93/402569093.db2.gz NORDVICLDVJLRR-AEFFLSMTSA-N 0 3 318.417 2.093 20 30 DEEDHN CN(C)CCOc1ccccc1CNC(=O)NCCCCC#N ZINC000170880652 402537145 /nfs/dbraw/zinc/53/71/45/402537145.db2.gz YLOVJXZVAKZSKR-UHFFFAOYSA-N 0 3 318.421 2.120 20 30 DEEDHN N#CCCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000171425993 402586629 /nfs/dbraw/zinc/58/66/29/402586629.db2.gz 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/nfs/dbraw/zinc/64/98/64/402649864.db2.gz BLIZQVUFEAWYIX-HNNXBMFYSA-N 0 3 320.400 2.319 20 30 DEEDHN N#Cc1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000192226057 402717840 /nfs/dbraw/zinc/71/78/40/402717840.db2.gz JLURCSUSRVSKER-KRWDZBQOSA-N 0 3 323.400 2.051 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000255577117 402691767 /nfs/dbraw/zinc/69/17/67/402691767.db2.gz KAKBOISPVJSQHN-BSDKJSHOSA-N 0 3 313.401 2.203 20 30 DEEDHN CCCCN(CCO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192571706 402737533 /nfs/dbraw/zinc/73/75/33/402737533.db2.gz QEOZBJKNKMXEKD-QGZVFWFLSA-N 0 3 315.417 2.148 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(C)CC1 ZINC000184343193 402836813 /nfs/dbraw/zinc/83/68/13/402836813.db2.gz VEJNUAIVFGVVIB-GFCCVEGCSA-N 0 3 302.378 2.193 20 30 DEEDHN O=C(NCC#Cc1ccccc1)NC[C@H]1CCCCN1C1CC1 ZINC000278399887 402864264 /nfs/dbraw/zinc/86/42/64/402864264.db2.gz OMYWCPFZJDDLPS-GOSISDBHSA-N 0 3 311.429 2.354 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H](CO)C(C)(C)C)c(C#N)c1C 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CCCN(CCO)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279499772 402949031 /nfs/dbraw/zinc/94/90/31/402949031.db2.gz ZDSZYEVJHHQSKD-UHFFFAOYSA-N 0 3 313.405 2.063 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CCCCO1 ZINC000265855339 402956467 /nfs/dbraw/zinc/95/64/67/402956467.db2.gz QWFPCAZEQMARHY-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN C=CCCCNC(=O)NCc1ccccc1OCCN(C)C ZINC000280103766 402967065 /nfs/dbraw/zinc/96/70/65/402967065.db2.gz OOFOAXHURBAASK-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN Cn1cccc1CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272251022 402915060 /nfs/dbraw/zinc/91/50/60/402915060.db2.gz VGSHRSNQUAJKRC-QGZVFWFLSA-N 0 3 308.385 2.182 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)[C@@H]2C1 ZINC000272259203 402915670 /nfs/dbraw/zinc/91/56/70/402915670.db2.gz JQESTLOFFSKEQG-XJKSGUPXSA-N 0 3 314.389 2.147 20 30 DEEDHN CN(Cc1cscn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279285941 402926903 /nfs/dbraw/zinc/92/69/03/402926903.db2.gz KQCKPANULQQENV-AWEZNQCLSA-N 0 3 310.382 2.356 20 30 DEEDHN CC(C)(C)C[C@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280436157 402999962 /nfs/dbraw/zinc/99/99/62/402999962.db2.gz QKAYTCRKKJDQDV-CVEARBPZSA-N 0 3 313.401 2.154 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1cccc(C#N)c1 ZINC000273513585 403011309 /nfs/dbraw/zinc/01/13/09/403011309.db2.gz XIJDLVKWMCGUSV-AWEZNQCLSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000280232105 402977894 /nfs/dbraw/zinc/97/78/94/402977894.db2.gz MJKJKSHEBBCRSQ-UHFFFAOYSA-N 0 3 308.381 2.328 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCCCC#N)c1 ZINC000273199685 402982058 /nfs/dbraw/zinc/98/20/58/402982058.db2.gz IMVPZZVHKGVANV-UHFFFAOYSA-N 0 3 302.422 2.372 20 30 DEEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000280311054 402986708 /nfs/dbraw/zinc/98/67/08/402986708.db2.gz GBNOVUTUXZPQNI-HOTGVXAUSA-N 0 3 313.401 2.418 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCOC1)C(C)C ZINC000267305561 403034879 /nfs/dbraw/zinc/03/48/79/403034879.db2.gz GWSSPPRBSQRERC-SJORKVTESA-N 0 3 323.481 2.363 20 30 DEEDHN C=C(C)COc1cc(CNCCN(CC)CCO)ccc1OC ZINC000274400579 403051763 /nfs/dbraw/zinc/05/17/63/403051763.db2.gz MOUDTZKQXKKFOU-UHFFFAOYSA-N 0 3 322.449 2.054 20 30 DEEDHN C#CCOc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCC2)cc1 ZINC000280961133 403054509 /nfs/dbraw/zinc/05/45/09/403054509.db2.gz KLQAMWPAZZCTGN-CQSZACIVSA-N 0 3 321.442 2.317 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000281068394 403058252 /nfs/dbraw/zinc/05/82/52/403058252.db2.gz ZROLBBKJJGSZRC-QZTJIDSGSA-N 0 3 324.428 2.231 20 30 DEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281446849 403069073 /nfs/dbraw/zinc/06/90/73/403069073.db2.gz UIWSXFRRKXFZII-ZBFHGGJFSA-N 0 3 313.401 2.418 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000281536691 403070707 /nfs/dbraw/zinc/07/07/07/403070707.db2.gz KFJHPFRNQNOYKV-HZPDHXFCSA-N 0 3 319.368 2.157 20 30 DEEDHN C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)C1CCOCC1 ZINC000268465167 403085585 /nfs/dbraw/zinc/08/55/85/403085585.db2.gz GASJWGYPQUQWNS-BXUZGUMPSA-N 0 3 319.430 2.130 20 30 DEEDHN C=CCN1CC[C@@H](N(CCCO)[C@@H]2CCc3ccccc32)C1=O ZINC000282120877 403124586 /nfs/dbraw/zinc/12/45/86/403124586.db2.gz XVBSRQNBRHQASS-QZTJIDSGSA-N 0 3 314.429 2.145 20 30 DEEDHN Cc1nccn1CCCN1CCN(c2ccccc2C#N)CC1 ZINC000269723940 403160809 /nfs/dbraw/zinc/16/08/09/403160809.db2.gz VIPRLOHVJQORPP-UHFFFAOYSA-N 0 3 309.417 2.276 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000270651298 403209142 /nfs/dbraw/zinc/20/91/42/403209142.db2.gz TYQGQHGGUOVHQW-UHFFFAOYSA-N 0 3 314.429 2.185 20 30 DEEDHN COc1ccc([C@@H](CN(C)C)NCc2cc(C#N)n(C)c2)cc1 ZINC000283844582 403227667 /nfs/dbraw/zinc/22/76/67/403227667.db2.gz FRTBIDXCLDQRDC-GOSISDBHSA-N 0 3 312.417 2.298 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270839888 403230011 /nfs/dbraw/zinc/23/00/11/403230011.db2.gz KJHACCINSRWVRX-QZTJIDSGSA-N 0 3 316.445 2.342 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000285420920 403292641 /nfs/dbraw/zinc/29/26/41/403292641.db2.gz VQPCJOFQIMMTOW-KRWDZBQOSA-N 0 3 303.406 2.183 20 30 DEEDHN C=CCc1cc(CNCC2(O)CC(OCC)C2)cc(OC)c1O ZINC000277660141 403242218 /nfs/dbraw/zinc/24/22/18/403242218.db2.gz GQTWAALHJBYMLQ-UHFFFAOYSA-N 0 3 321.417 2.149 20 30 DEEDHN Cc1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)nn1CCC#N ZINC000271018308 403254149 /nfs/dbraw/zinc/25/41/49/403254149.db2.gz FNSRMRWJAISCAN-HNNXBMFYSA-N 0 3 315.421 2.451 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000284216120 403254789 /nfs/dbraw/zinc/25/47/89/403254789.db2.gz HBBTYCIDHARXNI-JKSUJKDBSA-N 0 3 323.458 2.423 20 30 DEEDHN C#CCOc1ccc(CN2CCC(CNC(C)=O)CC2)cc1 ZINC000271116975 403266026 /nfs/dbraw/zinc/26/60/26/403266026.db2.gz CAPNFNTWALMHDO-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000285200825 403279385 /nfs/dbraw/zinc/27/93/85/403279385.db2.gz SPEPPRHUEDOOPV-TZMCWYRMSA-N 0 3 306.406 2.435 20 30 DEEDHN C[C@@H](c1ccncc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000271217745 403280735 /nfs/dbraw/zinc/28/07/35/403280735.db2.gz BSPIXNTUMHLTFC-WMLDXEAASA-N 0 3 311.385 2.386 20 30 DEEDHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(C#N)c1 ZINC000330602859 403286137 /nfs/dbraw/zinc/28/61/37/403286137.db2.gz HMCDMFYSVCYBLU-APHBMKBZSA-N 0 3 321.446 2.069 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(C[C@H]2CCCOC2)CC1 ZINC000342628024 403288324 /nfs/dbraw/zinc/28/83/24/403288324.db2.gz YRNVSFDKCDQLSE-CQSZACIVSA-N 0 3 303.381 2.246 20 30 DEEDHN CCOC(=O)CCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292180308 403313347 /nfs/dbraw/zinc/31/33/47/403313347.db2.gz MJBNLNSFOJSEGS-HNNXBMFYSA-N 0 3 317.389 2.140 20 30 DEEDHN CC1(C)CC[C@H](CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)O1 ZINC000292254478 403334961 /nfs/dbraw/zinc/33/49/61/403334961.db2.gz RBCOBTFAHLDTGI-HUUCEWRRSA-N 0 3 301.390 2.364 20 30 DEEDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCN(C2CCC2)C1 ZINC000292265539 403338580 /nfs/dbraw/zinc/33/85/80/403338580.db2.gz LEBTUSVRNLTKLP-GFCCVEGCSA-N 0 3 315.377 2.172 20 30 DEEDHN C[C@H](CNC(=O)COc1ccccc1C#N)N1CCC[C@@H](C)C1 ZINC000298504297 403398990 /nfs/dbraw/zinc/39/89/90/403398990.db2.gz QEEBRVBSNMHRIP-HUUCEWRRSA-N 0 3 315.417 2.174 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000345658552 403424341 /nfs/dbraw/zinc/42/43/41/403424341.db2.gz PCZNVCLSTSNQBE-RBUKOAKNSA-N 0 3 322.408 2.479 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H](C)[NH+]2CCCCCC2)c1[O-] ZINC000298626537 403427263 /nfs/dbraw/zinc/42/72/63/403427263.db2.gz CAKNMWCUWFPRQG-VBEHJTROSA-N 0 3 305.422 2.271 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)CCN1CCCC1 ZINC000345684564 403435318 /nfs/dbraw/zinc/43/53/18/403435318.db2.gz FDKRJFOCBHSNGS-UHFFFAOYSA-N 0 3 302.378 2.126 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)N(CC)C[C@H]2C)CC1 ZINC000345747058 403467360 /nfs/dbraw/zinc/46/73/60/403467360.db2.gz AZCDUQLDJQCICF-HZPDHXFCSA-N 0 3 322.497 2.151 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)C(C)C#N)N1CCCCC1 ZINC000345761556 403472777 /nfs/dbraw/zinc/47/27/77/403472777.db2.gz LMBWYPZHVRPRBN-ZBFHGGJFSA-N 0 3 315.417 2.498 20 30 DEEDHN CC#CCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000345782022 403482973 /nfs/dbraw/zinc/48/29/73/403482973.db2.gz IWPLGFBZNADUFT-NEPJUHHUSA-N 0 3 304.356 2.425 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)C(C)C#N)N1CCCC1 ZINC000345674362 403431854 /nfs/dbraw/zinc/43/18/54/403431854.db2.gz VKDSWRCLKBDSKP-UKRRQHHQSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCN1CCC(NC(=O)c2noc3c2C[C@@H](C)CC3)CC1 ZINC000345897717 403524541 /nfs/dbraw/zinc/52/45/41/403524541.db2.gz AAKODYRGGUXSSZ-LBPRGKRZSA-N 0 3 303.406 2.180 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)c3cc(C#N)ccc3Cl)C2)C1 ZINC000293650745 403529089 /nfs/dbraw/zinc/52/90/89/403529089.db2.gz GXQNEMMKVPNOJW-INIZCTEOSA-N 0 3 303.793 2.379 20 30 DEEDHN CC#CCNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286792029 403546337 /nfs/dbraw/zinc/54/63/37/403546337.db2.gz RYYLXLTVHUCMKK-IBGZPJMESA-N 0 3 311.429 2.317 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccccc1C#N ZINC000299084087 403516870 /nfs/dbraw/zinc/51/68/70/403516870.db2.gz KLCXZNKYZSGLJP-GJZGRUSLSA-N 0 3 315.417 2.174 20 30 DEEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1OC ZINC000346336796 403584971 /nfs/dbraw/zinc/58/49/71/403584971.db2.gz PPDYQHPIQRRHFM-ARFHVFGLSA-N 0 3 303.402 2.463 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000299639678 403563975 /nfs/dbraw/zinc/56/39/75/403563975.db2.gz PQXQMAXCYVJUEF-OAHLLOKOSA-N 0 3 322.412 2.265 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000293851125 403580711 /nfs/dbraw/zinc/58/07/11/403580711.db2.gz ANUFQANBBMRHTB-HNNXBMFYSA-N 0 3 311.429 2.353 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccnc2OC(C)C)CC1 ZINC000287511261 403614253 /nfs/dbraw/zinc/61/42/53/403614253.db2.gz ICHDSIAKECBNHW-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000332854843 403626208 /nfs/dbraw/zinc/62/62/08/403626208.db2.gz QIOKPWLNHAILQA-YJNKXOJESA-N 0 3 319.449 2.121 20 30 DEEDHN CC1CCN(C[C@H](O)CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000301507725 403638513 /nfs/dbraw/zinc/63/85/13/403638513.db2.gz HLBBYOMCKRITNS-GFCCVEGCSA-N 0 3 308.813 2.111 20 30 DEEDHN COCCNC(=O)[C@@H](CC(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000347268790 403642924 /nfs/dbraw/zinc/64/29/24/403642924.db2.gz GAZKCELTMZLXCF-WMLDXEAASA-N 0 3 317.433 2.386 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000343570393 403643746 /nfs/dbraw/zinc/64/37/46/403643746.db2.gz MPXBAMCKAJGPCL-UHFFFAOYSA-N 0 3 321.427 2.281 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ccc(C#N)nn1 ZINC000301947197 403703895 /nfs/dbraw/zinc/70/38/95/403703895.db2.gz HMTYHKIMEXMQRT-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)COc2ccc(C#N)cc2)C1 ZINC000347458544 403717099 /nfs/dbraw/zinc/71/70/99/403717099.db2.gz CXLNTDMWFRMEQP-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000288675782 403761511 /nfs/dbraw/zinc/76/15/11/403761511.db2.gz WQSKSBLEFPDAHR-IEBWSBKVSA-N 0 3 309.365 2.283 20 30 DEEDHN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1ccncn1 ZINC000354468195 403818035 /nfs/dbraw/zinc/81/80/35/403818035.db2.gz LXSKTPFRWGXTCK-HNNXBMFYSA-N 0 3 303.325 2.211 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000347739894 403836249 /nfs/dbraw/zinc/83/62/49/403836249.db2.gz YWACFEXVWXJHMQ-VHSXEESVSA-N 0 3 311.179 2.492 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccnc2C(F)(F)F)CC1 ZINC000289121363 403840941 /nfs/dbraw/zinc/84/09/41/403840941.db2.gz MMAWJAWBWULTEN-UHFFFAOYSA-N 0 3 311.307 2.384 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nn(C)cc1Br ZINC000411636975 403918584 /nfs/dbraw/zinc/91/85/84/403918584.db2.gz ACJLONGAVHPLJX-UHFFFAOYSA-N 0 3 315.259 2.122 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](O)CC(C)(C)C1 ZINC000295431635 403920919 /nfs/dbraw/zinc/92/09/19/403920919.db2.gz JJGLDEQNCJUPOH-OAHLLOKOSA-N 0 3 318.417 2.429 20 30 DEEDHN COCCN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CC=CCC1 ZINC000362250003 403939100 /nfs/dbraw/zinc/93/91/00/403939100.db2.gz NOOMCRHMIKYPPG-YJBOKZPZSA-N 0 3 319.449 2.100 20 30 DEEDHN N#CCC1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000362352724 403946183 /nfs/dbraw/zinc/94/61/83/403946183.db2.gz DOZJOLTZBWEJMC-INIZCTEOSA-N 0 3 312.417 2.254 20 30 DEEDHN Cc1nc(NC(=O)[C@H]2CN(C)C[C@@H]2C)sc1SCC#N ZINC000362728344 403984502 /nfs/dbraw/zinc/98/45/02/403984502.db2.gz LFEKKZUQAGTTOJ-WPRPVWTQSA-N 0 3 310.448 2.203 20 30 DEEDHN Cc1nc(NC(=O)[C@@H]2CN(C)C[C@@H]2C)sc1SCC#N ZINC000362728341 403984808 /nfs/dbraw/zinc/98/48/08/403984808.db2.gz LFEKKZUQAGTTOJ-WCBMZHEXSA-N 0 3 310.448 2.203 20 30 DEEDHN N#CCCN(CC1CC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000362934898 404013421 /nfs/dbraw/zinc/01/34/21/404013421.db2.gz QPNZVOAMPZFIQH-UHFFFAOYSA-N 0 3 319.449 2.174 20 30 DEEDHN C=CCOc1cccc(CNC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290046286 404016826 /nfs/dbraw/zinc/01/68/26/404016826.db2.gz GECQBBRHJMDCDS-HNNXBMFYSA-N 0 3 309.431 2.166 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCO)CC2CCCCC2)CC1 ZINC000362949462 404020316 /nfs/dbraw/zinc/02/03/16/404020316.db2.gz OUWGBVWMYFIXBN-UHFFFAOYSA-N 0 3 323.481 2.221 20 30 DEEDHN Cc1cc(CN2CCC(CN3CCOCC3)CC2)ccc1C#N ZINC000362955702 404024473 /nfs/dbraw/zinc/02/44/73/404024473.db2.gz SURSGXKWSUAQKS-UHFFFAOYSA-N 0 3 313.445 2.411 20 30 DEEDHN C[C@@H](O)CN1CCN(Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000337437540 404025084 /nfs/dbraw/zinc/02/50/84/404025084.db2.gz XZCUYZRTQWVZQT-QWHCGFSZSA-N 0 3 307.825 2.099 20 30 DEEDHN CCN(CCC#N)CCCN1CCN(c2ccccc2)CC1 ZINC000352016357 404082172 /nfs/dbraw/zinc/08/21/72/404082172.db2.gz WRLZPOWAKMQXFT-UHFFFAOYSA-N 0 3 300.450 2.434 20 30 DEEDHN CC[C@@](C)(C#N)c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000290105157 404043524 /nfs/dbraw/zinc/04/35/24/404043524.db2.gz NTFFKKLLZIVXEH-INIZCTEOSA-N 0 3 315.377 2.263 20 30 DEEDHN C=CCOCCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000348167117 404048556 /nfs/dbraw/zinc/04/85/56/404048556.db2.gz IPSIFKOYWMSHAG-DOTOQJQBSA-N 0 3 324.371 2.419 20 30 DEEDHN Cc1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccc1C#N ZINC000337477819 404050602 /nfs/dbraw/zinc/05/06/02/404050602.db2.gz ZIUJIMAKFDEFGF-GOSISDBHSA-N 0 3 313.445 2.411 20 30 DEEDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000296056445 404071928 /nfs/dbraw/zinc/07/19/28/404071928.db2.gz FZECHVHGRYJMKZ-GUYCJALGSA-N 0 3 319.405 2.500 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]1C ZINC001088875950 782008635 /nfs/dbraw/zinc/00/86/35/782008635.db2.gz MJQKWCZGIKBFII-CJNGLKHVSA-N 0 3 300.402 2.390 20 30 DEEDHN CCCCN(C)CCNC(=O)Nc1cc(C#N)ccc1OC ZINC000355006963 404151541 /nfs/dbraw/zinc/15/15/41/404151541.db2.gz AZOIMHIJHJOQKH-UHFFFAOYSA-N 0 3 304.394 2.420 20 30 DEEDHN COc1ccccc1COC1CCN(C(=O)C(C)C#N)CC1 ZINC000355013460 404155364 /nfs/dbraw/zinc/15/53/64/404155364.db2.gz QCEPSYOSZNGMAQ-ZDUSSCGKSA-N 0 3 302.374 2.362 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000329073589 404222006 /nfs/dbraw/zinc/22/20/06/404222006.db2.gz OXPIQHNJPDOWLB-KXUCPTDWSA-N 0 3 307.316 2.335 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC000328927110 404174461 /nfs/dbraw/zinc/17/44/61/404174461.db2.gz WWFHJYLSPRJYSC-CYBMUJFWSA-N 0 3 301.394 2.135 20 30 DEEDHN CN(C)C[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(F)cc1 ZINC000355076256 404200980 /nfs/dbraw/zinc/20/09/80/404200980.db2.gz FPQJHFQQTCYWAA-CQSZACIVSA-N 0 3 306.385 2.277 20 30 DEEDHN O=C(NCC1(O)CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000329132833 404239985 /nfs/dbraw/zinc/23/99/85/404239985.db2.gz YOTNIIIOQRWRPU-MRXNPFEDSA-N 0 3 317.433 2.070 20 30 DEEDHN CC1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CCOCC1 ZINC000329130535 404240432 /nfs/dbraw/zinc/24/04/32/404240432.db2.gz OLIBBLAJPIABJP-OAHLLOKOSA-N 0 3 310.438 2.403 20 30 DEEDHN CC1(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1C1CC1 ZINC000290833281 404330296 /nfs/dbraw/zinc/33/02/96/404330296.db2.gz UUXGDYJOIFBKSW-WBVHZDCISA-N 0 3 300.402 2.418 20 30 DEEDHN C[C@@H]1CN(CCCNC(=O)NCC(C)(C)CCC#N)CCCO1 ZINC000355446855 404336864 /nfs/dbraw/zinc/33/68/64/404336864.db2.gz LJLIXSYMEKOMQC-OAHLLOKOSA-N 0 3 324.469 2.116 20 30 DEEDHN C=CCC(C)(C)C(=O)NCc1ccncc1OCCN(C)C ZINC000355648765 404356435 /nfs/dbraw/zinc/35/64/35/404356435.db2.gz FCNVKXBEGSJGLY-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cc1c(F)cccc1C#N ZINC000350034033 404299840 /nfs/dbraw/zinc/29/98/40/404299840.db2.gz KFQHFWUUOXGTHB-UONOGXRCSA-N 0 3 317.408 2.476 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000290817454 404323182 /nfs/dbraw/zinc/32/31/82/404323182.db2.gz VLORCKBEUYXCFS-IEBWSBKVSA-N 0 3 316.445 2.340 20 30 DEEDHN Cc1nc(C2CC2)oc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000329524485 404365744 /nfs/dbraw/zinc/36/57/44/404365744.db2.gz QKYPBGQXRYXTDK-AWEZNQCLSA-N 0 3 321.421 2.258 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000291181464 404376585 /nfs/dbraw/zinc/37/65/85/404376585.db2.gz FEHGKZBDEQYWSK-SJLPKXTDSA-N 0 3 302.418 2.094 20 30 DEEDHN C=C[C@H](CO)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000352449131 404378520 /nfs/dbraw/zinc/37/85/20/404378520.db2.gz XISIYFSUKCRTBX-LLVKDONJSA-N 0 3 305.296 2.273 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000297008378 404410453 /nfs/dbraw/zinc/41/04/53/404410453.db2.gz UMXQGRUIXDCMAE-OAHLLOKOSA-N 0 3 317.433 2.353 20 30 DEEDHN Cc1nc([C@H](NC(=O)C(C)C#N)c2ccc(Cl)cc2)no1 ZINC000356547394 404584617 /nfs/dbraw/zinc/58/46/17/404584617.db2.gz LISOXFDHIYDTGE-PRHODGIISA-N 0 3 304.737 2.397 20 30 DEEDHN CCCc1nc(C)c(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)o1 ZINC000330205735 404586286 /nfs/dbraw/zinc/58/62/86/404586286.db2.gz CQTQCDALFSMKCC-KRWDZBQOSA-N 0 3 320.437 2.377 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)[C@H]1CCC[C@@H]1O ZINC000352665882 404528722 /nfs/dbraw/zinc/52/87/22/404528722.db2.gz GFQXNHJTOYUXOW-BFKWJSRZSA-N 0 3 321.465 2.151 20 30 DEEDHN CC(C(=O)N[C@H]1C=CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330075071 404544177 /nfs/dbraw/zinc/54/41/77/404544177.db2.gz LOJNVOLQLAUULL-NEPJUHHUSA-N 0 3 301.408 2.034 20 30 DEEDHN Cc1nccc(NC(=O)NC2CCN(CCOC(C)C)CC2)n1 ZINC000330083363 404548613 /nfs/dbraw/zinc/54/86/13/404548613.db2.gz BJBSPGKRHCFLOM-UHFFFAOYSA-N 0 3 321.425 2.000 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000352711023 404566551 /nfs/dbraw/zinc/56/65/51/404566551.db2.gz MIRXVTKXCHNOGX-CQSZACIVSA-N 0 3 303.381 2.230 20 30 DEEDHN C=CCCC1(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CC1 ZINC000356539305 404580130 /nfs/dbraw/zinc/58/01/30/404580130.db2.gz YZALZEOMLZLWDP-UHFFFAOYSA-N 0 3 303.406 2.095 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cccc1Cl ZINC000414436770 404629463 /nfs/dbraw/zinc/62/94/63/404629463.db2.gz YUSXCNJYLDAXSD-LLVKDONJSA-N 0 3 315.822 2.254 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000330339704 404630277 /nfs/dbraw/zinc/63/02/77/404630277.db2.gz WZDMGNLZXIRSDV-OWCLPIDISA-N 0 3 311.470 2.426 20 30 DEEDHN N#Cc1nccc(Nc2cccc(CN3CCSCC3)c2)n1 ZINC000567486669 292317647 /nfs/dbraw/zinc/31/76/47/292317647.db2.gz QKSVHIACUDUWEB-UHFFFAOYSA-N 0 3 311.414 2.063 20 30 DEEDHN Cn1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1C#N ZINC000414551613 404676763 /nfs/dbraw/zinc/67/67/63/404676763.db2.gz OTNUXIZERGIMFW-AEFFLSMTSA-N 0 3 308.385 2.006 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000330552127 404687354 /nfs/dbraw/zinc/68/73/54/404687354.db2.gz FGQPUIPPRWTLCV-LSDHHAIUSA-N 0 3 314.433 2.301 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000330575960 404691942 /nfs/dbraw/zinc/69/19/42/404691942.db2.gz QQZAOTUTZUXRET-MJBXVCDLSA-N 0 3 314.433 2.358 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC(C)(C)[C@H]2C)CC1 ZINC000357734311 404741976 /nfs/dbraw/zinc/74/19/76/404741976.db2.gz OWVQUMLWTKVZPG-CQSZACIVSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358098901 404754171 /nfs/dbraw/zinc/75/41/71/404754171.db2.gz ATFFCDZTCSWEIQ-OAHLLOKOSA-N 0 3 314.495 2.159 20 30 DEEDHN C=CCc1cc(CN[C@@H]2CCOC[C@H]2OCC)cc(OC)c1O ZINC000353189290 404764362 /nfs/dbraw/zinc/76/43/62/404764362.db2.gz UUOONCUNWGBWEZ-NVXWUHKLSA-N 0 3 321.417 2.413 20 30 DEEDHN CO[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366339517 404787014 /nfs/dbraw/zinc/78/70/14/404787014.db2.gz LDHMLOCHFZNYLV-SJORKVTESA-N 0 3 311.385 2.268 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359227633 404787416 /nfs/dbraw/zinc/78/74/16/404787416.db2.gz OTMPPFQKSQLPJR-OAHLLOKOSA-N 0 3 315.417 2.287 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cncc(F)c2)CC1 ZINC000359322812 404789499 /nfs/dbraw/zinc/78/94/99/404789499.db2.gz FYWWPFZOJCJRDF-LBPRGKRZSA-N 0 3 306.385 2.231 20 30 DEEDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(CCC(C)(C)C#N)CC1 ZINC000366446021 404793171 /nfs/dbraw/zinc/79/31/71/404793171.db2.gz XCFNTGMYRBXMBL-CABCVRRESA-N 0 3 308.422 2.216 20 30 DEEDHN C=C(C)CN(CC)C(=O)NCc1ccncc1OCCN(C)C ZINC000359719232 404802861 /nfs/dbraw/zinc/80/28/61/404802861.db2.gz GXVFIQNDBIGLPD-UHFFFAOYSA-N 0 3 320.437 2.130 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c[nH]1 ZINC000376164745 404811183 /nfs/dbraw/zinc/81/11/83/404811183.db2.gz WPKPCRJEGVCEGO-MRXNPFEDSA-N 0 3 308.385 2.281 20 30 DEEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415244372 404832772 /nfs/dbraw/zinc/83/27/72/404832772.db2.gz SHTFACGABAZDQE-UHFFFAOYSA-N 0 3 303.406 2.063 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000353451381 404834428 /nfs/dbraw/zinc/83/44/28/404834428.db2.gz WTZMSAHRQZUMEV-SOLBZPMBSA-N 0 3 307.482 2.073 20 30 DEEDHN CN(C[C@H]1CCN(C)[C@@H]1c1cccnc1)C(=O)CCCC#N ZINC000360718829 404835321 /nfs/dbraw/zinc/83/53/21/404835321.db2.gz UNMUPEDOZGWLKV-NVXWUHKLSA-N 0 3 300.406 2.227 20 30 DEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC(C)(C)CCC#N ZINC000358714298 404773125 /nfs/dbraw/zinc/77/31/25/404773125.db2.gz TVKPNFHESMSRAT-HNNXBMFYSA-N 0 3 324.469 2.069 20 30 DEEDHN N#CCCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000366206837 404773746 /nfs/dbraw/zinc/77/37/46/404773746.db2.gz ZCBUDAFFYUIRPQ-MRXNPFEDSA-N 0 3 300.406 2.111 20 30 DEEDHN COC[C@]1(C)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000451185028 404893103 /nfs/dbraw/zinc/89/31/03/404893103.db2.gz BZYMBANKXRAPMZ-OAHLLOKOSA-N 0 3 307.419 2.307 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)ccc1F ZINC000366791810 404848042 /nfs/dbraw/zinc/84/80/42/404848042.db2.gz DHYSBJNPXIMREB-HNNXBMFYSA-N 0 3 301.365 2.398 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000424098887 405005595 /nfs/dbraw/zinc/00/55/95/405005595.db2.gz HWFBZBPGJNIJKD-YESZJQIVSA-N 0 3 315.417 2.292 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccccc1C(F)(F)F ZINC000424103017 405006784 /nfs/dbraw/zinc/00/67/84/405006784.db2.gz PPCUKYNBBRLTHZ-ZDUSSCGKSA-N 0 3 313.323 2.385 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000424109760 405010252 /nfs/dbraw/zinc/01/02/52/405010252.db2.gz BPFVUJOXHQZDMK-JYJNAYRXSA-N 0 3 301.390 2.044 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000424114109 405011803 /nfs/dbraw/zinc/01/18/03/405011803.db2.gz PRQQGDMOMJZEJB-LBPRGKRZSA-N 0 3 320.462 2.092 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1c(F)cccc1OC(F)F ZINC000424120883 405013068 /nfs/dbraw/zinc/01/30/68/405013068.db2.gz HVTTWSSZRLBMJF-LLVKDONJSA-N 0 3 315.295 2.064 20 30 DEEDHN C[C@H]1CN(Cc2cc(C#N)cs2)CC[C@@H]1N1CCN(C)CC1 ZINC000354043749 405017394 /nfs/dbraw/zinc/01/73/94/405017394.db2.gz ZRSMBISVFCTYIA-YOEHRIQHSA-N 0 3 318.490 2.078 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000424142595 405019257 /nfs/dbraw/zinc/01/92/57/405019257.db2.gz YNBXAWOSEITVRY-AWEZNQCLSA-N 0 3 301.394 2.032 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000361317359 405019992 /nfs/dbraw/zinc/01/99/92/405019992.db2.gz ZPXYLJCNKINFDW-VHSXEESVSA-N 0 3 311.179 2.492 20 30 DEEDHN COc1ccc(C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1 ZINC000424141252 405020043 /nfs/dbraw/zinc/02/00/43/405020043.db2.gz OQBPHYAMRBQXQR-KRWDZBQOSA-N 0 3 315.417 2.422 20 30 DEEDHN CC(C)n1c(CNC(=O)[C@H](N)CCCC#N)nc2ccccc21 ZINC000424144536 405020646 /nfs/dbraw/zinc/02/06/46/405020646.db2.gz LOMHDBPSAGORLC-CYBMUJFWSA-N 0 3 313.405 2.255 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1C ZINC000424149317 405022828 /nfs/dbraw/zinc/02/28/28/405022828.db2.gz GUPAWBLMEDPPHX-LSDHHAIUSA-N 0 3 303.406 2.290 20 30 DEEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424148496 405023035 /nfs/dbraw/zinc/02/30/35/405023035.db2.gz FQYYTEUXQDUYDB-ULQDDVLXSA-N 0 3 315.417 2.353 20 30 DEEDHN CC(C)n1cnnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000435929294 405028851 /nfs/dbraw/zinc/02/88/51/405028851.db2.gz RZRJAVJMPKQERI-OAHLLOKOSA-N 0 3 311.389 2.248 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000424191031 405035472 /nfs/dbraw/zinc/03/54/72/405035472.db2.gz QKZJMOLGWUEAQR-BPUTZDHNSA-N 0 3 319.380 2.041 20 30 DEEDHN CC(C)OC[C@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000451420700 404989486 /nfs/dbraw/zinc/98/94/86/404989486.db2.gz RBIRXUNAUCJLCU-SJORKVTESA-N 0 3 318.417 2.003 20 30 DEEDHN COc1cccc2sc(NC(=O)[C@@H](N)CCCC#N)nc21 ZINC000424070051 404994442 /nfs/dbraw/zinc/99/44/42/404994442.db2.gz WXCVIIRXGPAWQL-VIFPVBQESA-N 0 3 304.375 2.265 20 30 DEEDHN COc1ccc(OC(F)F)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424084586 404999475 /nfs/dbraw/zinc/99/94/75/404999475.db2.gz BXRYJTAZXMFFLW-JTQLQIEISA-N 0 3 313.304 2.256 20 30 DEEDHN C[C@H](CO)N(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCC1 ZINC000361492264 405097715 /nfs/dbraw/zinc/09/77/15/405097715.db2.gz GGTGEZJOAPRKSA-OAHLLOKOSA-N 0 3 321.465 2.154 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000436200800 405057721 /nfs/dbraw/zinc/05/77/21/405057721.db2.gz GPBBFQHRJWXCEN-AWEZNQCLSA-N 0 3 301.390 2.454 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000424296859 405061400 /nfs/dbraw/zinc/06/14/00/405061400.db2.gz PMSDQIQTFXUMHO-KRWDZBQOSA-N 0 3 311.433 2.218 20 30 DEEDHN C=CCOCCCN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436270180 405065269 /nfs/dbraw/zinc/06/52/69/405065269.db2.gz NQCGHHOUAFMQEY-MOPGFXCFSA-N 0 3 316.445 2.164 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)NC2(C#N)CCC2)C12CCCCC2 ZINC000367558645 405082455 /nfs/dbraw/zinc/08/24/55/405082455.db2.gz DIBNTCZAZFFTFI-GJZGRUSLSA-N 0 3 319.449 2.266 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000452011155 405127559 /nfs/dbraw/zinc/12/75/59/405127559.db2.gz DDGHQNSIEIENDN-RBSFLKMASA-N 0 3 307.438 2.265 20 30 DEEDHN CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424474740 405104876 /nfs/dbraw/zinc/10/48/76/405104876.db2.gz IODAPRGOCBQUAW-JGGQBBKZSA-N 0 3 300.406 2.240 20 30 DEEDHN CCCN(CC(=O)N(CC)CCC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000354226886 405110720 /nfs/dbraw/zinc/11/07/20/405110720.db2.gz XUPGTPBZXMXOMQ-USXIJHARSA-N 0 3 321.465 2.274 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000408104619 405113807 /nfs/dbraw/zinc/11/38/07/405113807.db2.gz FCFOSHJRMCCSRM-AAEUAGOBSA-N 0 3 318.808 2.305 20 30 DEEDHN CC(C)(C)[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000361541430 405122198 /nfs/dbraw/zinc/12/21/98/405122198.db2.gz PDPWFHAGIZTHTC-HNNXBMFYSA-N 0 3 304.438 2.400 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC2(COC)CC2)C1 ZINC001422906815 1172913911 /nfs/dbraw/zinc/91/39/11/1172913911.db2.gz WSMSZPROYXCSOO-JOCQHMNTSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCN(CCN1CCCS1(=O)=O)CC1CCCCC1 ZINC000437370876 405197024 /nfs/dbraw/zinc/19/70/24/405197024.db2.gz QZJASCPFQSLRDV-UHFFFAOYSA-N 0 3 300.468 2.090 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000437473521 405201256 /nfs/dbraw/zinc/20/12/56/405201256.db2.gz MMEOSOJHASDFPE-PVAVHDDUSA-N 0 3 306.450 2.491 20 30 DEEDHN COc1cc(C#N)ccc1CN(CCO)[C@H]1CCCSC1 ZINC000438992216 405262076 /nfs/dbraw/zinc/26/20/76/405262076.db2.gz GEZUIJFGRIPNCC-HNNXBMFYSA-N 0 3 306.431 2.257 20 30 DEEDHN CN(CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000425403570 405285696 /nfs/dbraw/zinc/28/56/96/405285696.db2.gz UHUSFMFFPTXMIW-DLBZAZTESA-N 0 3 314.433 2.500 20 30 DEEDHN CN(C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000425643789 405309698 /nfs/dbraw/zinc/30/96/98/405309698.db2.gz JLICGIPBVKHNJR-BBWFWOEESA-N 0 3 314.433 2.151 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCN1C1CC1)C(C)C ZINC000426417743 405358961 /nfs/dbraw/zinc/35/89/61/405358961.db2.gz CCCJILJLKIALAG-MSOLQXFVSA-N 0 3 319.493 2.428 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1CCCN(C(C)C)CC1 ZINC000453454920 405292513 /nfs/dbraw/zinc/29/25/13/405292513.db2.gz RBMPJHDHZSGRHB-UHFFFAOYSA-N 0 3 321.469 2.311 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc(C#N)s2)C1 ZINC000420785591 405383796 /nfs/dbraw/zinc/38/37/96/405383796.db2.gz UVBXOVAIKNEHJZ-LBPRGKRZSA-N 0 3 306.435 2.151 20 30 DEEDHN COCCO[C@H]1C[C@H](CO)CN(CCCCC(C)(C)C#N)C1 ZINC000447396139 405413071 /nfs/dbraw/zinc/41/30/71/405413071.db2.gz VBRQUYPPGANCEJ-HOTGVXAUSA-N 0 3 312.454 2.052 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC2(F)F)CC1 ZINC000454542936 405361100 /nfs/dbraw/zinc/36/11/00/405361100.db2.gz LNCYINHDBVLTMH-GFCCVEGCSA-N 0 3 301.381 2.371 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000421108034 405447709 /nfs/dbraw/zinc/44/77/09/405447709.db2.gz CSWNJIYJGOEZGK-NSHDSACASA-N 0 3 307.785 2.165 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCCN1C ZINC000455778340 405449440 /nfs/dbraw/zinc/44/94/40/405449440.db2.gz GLKIJCMMYWPTEX-CABZTGNLSA-N 0 3 307.785 2.211 20 30 DEEDHN CN(C)[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448901243 405461514 /nfs/dbraw/zinc/46/15/14/405461514.db2.gz PRTJLQVKCRNWJU-LLVKDONJSA-N 0 3 322.206 2.097 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCO1 ZINC000421354050 405468100 /nfs/dbraw/zinc/46/81/00/405468100.db2.gz GYLQUQARXKKROQ-INIZCTEOSA-N 0 3 305.397 2.240 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000577576662 405470597 /nfs/dbraw/zinc/47/05/97/405470597.db2.gz OATBTKXENNPKHD-QGZVFWFLSA-N 0 3 314.429 2.491 20 30 DEEDHN CN(C)[C@]1(CNC(=O)/C=C\c2cccc(C#N)c2)CCSC1 ZINC000492065282 405475821 /nfs/dbraw/zinc/47/58/21/405475821.db2.gz DMDPODLYKNARQH-TUYSUELWSA-N 0 3 315.442 2.125 20 30 DEEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000430747439 405500525 /nfs/dbraw/zinc/50/05/25/405500525.db2.gz LWSBGDJIFQZZSQ-CYBMUJFWSA-N 0 3 321.446 2.281 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCC(C)(C)C#N ZINC000458663879 405530186 /nfs/dbraw/zinc/53/01/86/405530186.db2.gz UYPIPJQLPMEUBG-UHFFFAOYSA-N 0 3 308.451 2.371 20 30 DEEDHN C[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN(C2CCC2)C1 ZINC000580066873 405576850 /nfs/dbraw/zinc/57/68/50/405576850.db2.gz JYPLZKFNGLPLBC-QLFBSQMISA-N 0 3 304.438 2.194 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)NCC1(CC#N)CC1 ZINC000431197368 405590950 /nfs/dbraw/zinc/59/09/50/405590950.db2.gz JVZJQGUNWKKCIO-UHFFFAOYSA-N 0 3 304.394 2.047 20 30 DEEDHN C=CCOc1cccc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000449533590 405600689 /nfs/dbraw/zinc/60/06/89/405600689.db2.gz BIIMPBAQZSYDJX-IYBDPMFKSA-N 0 3 304.434 2.138 20 30 DEEDHN CO[C@H]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1(C)C ZINC000528515793 405646016 /nfs/dbraw/zinc/64/60/16/405646016.db2.gz CSNIHKITOGLVPU-WBVHZDCISA-N 0 3 318.417 2.045 20 30 DEEDHN CC(=O)CN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000421923179 405654752 /nfs/dbraw/zinc/65/47/52/405654752.db2.gz RWBGFIKFMBXZMA-QGZVFWFLSA-N 0 3 311.385 2.314 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)CN1CCCC1 ZINC000457038012 405665739 /nfs/dbraw/zinc/66/57/39/405665739.db2.gz RLQDJNZMMVOBSA-AWEZNQCLSA-N 0 3 315.417 2.316 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459113176 405753120 /nfs/dbraw/zinc/75/31/20/405753120.db2.gz HVTVJQDNEJKQQO-UHFFFAOYSA-N 0 3 320.412 2.427 20 30 DEEDHN C#CCCOc1ccc(CN2CCC3(COC(=O)N3)CC2)cc1 ZINC000495265640 405857707 /nfs/dbraw/zinc/85/77/07/405857707.db2.gz OWCRWEJJZFZKFX-UHFFFAOYSA-N 0 3 314.385 2.163 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000495655928 405927487 /nfs/dbraw/zinc/92/74/87/405927487.db2.gz IDZMGZIQIUBQKF-NWDGAFQWSA-N 0 3 309.410 2.298 20 30 DEEDHN CC[C@](NC(=O)C(C#N)CCc1ccccc1)(C(N)=O)C(C)C ZINC000433363167 405934121 /nfs/dbraw/zinc/93/41/21/405934121.db2.gz GWJCJAYNKWOVHA-CRAIPNDOSA-N 0 3 315.417 2.165 20 30 DEEDHN C=C(C)COc1cc(CNCCN2CCCC2=O)ccc1OC ZINC000567280243 406095300 /nfs/dbraw/zinc/09/53/00/406095300.db2.gz VDJXJTOKGFTOLB-UHFFFAOYSA-N 0 3 318.417 2.362 20 30 DEEDHN Cc1noc(-c2ccc(C)c(NC(=O)[C@H](N)CCCC#N)c2)n1 ZINC000516562251 406099340 /nfs/dbraw/zinc/09/93/40/406099340.db2.gz CVBHIHUOUJEQKN-CYBMUJFWSA-N 0 3 313.361 2.313 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000451082588 406043672 /nfs/dbraw/zinc/04/36/72/406043672.db2.gz UTIZOTOJOCNRFA-YESZJQIVSA-N 0 3 300.402 2.426 20 30 DEEDHN CC1(C)[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCO[C@H]21 ZINC000514840938 406054768 /nfs/dbraw/zinc/05/47/68/406054768.db2.gz YLKPJDXMBVETTR-NUEKZKHPSA-N 0 3 319.449 2.122 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000518927451 406166389 /nfs/dbraw/zinc/16/63/89/406166389.db2.gz KFYNFMLHCBHOMO-UYAOXDASSA-N 0 3 322.408 2.400 20 30 DEEDHN O[C@]1(CNCC#Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000634698562 406231224 /nfs/dbraw/zinc/23/12/24/406231224.db2.gz PZLAPBBCXGPLAV-NRFANRHFSA-N 0 3 320.436 2.265 20 30 DEEDHN C=CCC1(NS(=O)(=O)CCCN2CCCC2)CCCC1 ZINC000632562657 406183687 /nfs/dbraw/zinc/18/36/87/406183687.db2.gz VYBPVBBWWZZPKG-UHFFFAOYSA-N 0 3 300.468 2.281 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000632616833 406201956 /nfs/dbraw/zinc/20/19/56/406201956.db2.gz LOUQZFJEHGBSEO-RDJZCZTQSA-N 0 3 322.474 2.250 20 30 DEEDHN CC(C#N)C(=O)NC1(c2noc(C(F)(F)F)n2)CCCC1 ZINC000568218722 406217073 /nfs/dbraw/zinc/21/70/73/406217073.db2.gz AKPGSSVUVHSAGC-SSDOTTSWSA-N 0 3 302.256 2.134 20 30 DEEDHN C[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000519598878 406219563 /nfs/dbraw/zinc/21/95/63/406219563.db2.gz YPGGYTUORBSKIX-ZFWWWQNUSA-N 0 3 321.446 2.285 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639752921 406236003 /nfs/dbraw/zinc/23/60/03/406236003.db2.gz XTLZGZQQMRMTHL-CVEARBPZSA-N 0 3 309.498 2.462 20 30 DEEDHN C[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000521733604 406363800 /nfs/dbraw/zinc/36/38/00/406363800.db2.gz DYLWAAQCLXKINX-UKRRQHHQSA-N 0 3 300.406 2.260 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000541018969 406298101 /nfs/dbraw/zinc/29/81/01/406298101.db2.gz NYCBKFMWMRDIOT-ZDUSSCGKSA-N 0 3 304.394 2.045 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cnc3ccccc3c2)CC1 ZINC000490575210 406471771 /nfs/dbraw/zinc/47/17/71/406471771.db2.gz OLWNIDFRIZBMDX-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCCN1CCOC)C1CCCCC1 ZINC000490656028 406479663 /nfs/dbraw/zinc/47/96/63/406479663.db2.gz GWGUQHXXLXVIIE-KRWDZBQOSA-N 0 3 321.465 2.075 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2c[nH]c3cc(C)ccc23)CC1 ZINC000490712152 406484486 /nfs/dbraw/zinc/48/44/86/406484486.db2.gz DBWMCDNFEBOVEK-UHFFFAOYSA-N 0 3 323.440 2.480 20 30 DEEDHN C[C@]12CN([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000570898790 406451161 /nfs/dbraw/zinc/45/11/61/406451161.db2.gz NOPNFPFLLGCHQB-OYNZLANYSA-N 0 3 309.413 2.453 20 30 DEEDHN COCC[C@@](C)(O)CN[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000571030421 406467631 /nfs/dbraw/zinc/46/76/31/406467631.db2.gz HAOTVAUBYJWCLO-DLBZAZTESA-N 0 3 306.406 2.417 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1sccc1OC(F)F ZINC000491230393 406549810 /nfs/dbraw/zinc/54/98/10/406549810.db2.gz MUCLKQMHWASVQN-UHFFFAOYSA-N 0 3 302.346 2.034 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1cc(F)c(F)c(F)c1 ZINC000491264616 406556739 /nfs/dbraw/zinc/55/67/39/406556739.db2.gz HPULPHHTHNCMIN-AATRIKPKSA-N 0 3 310.319 2.188 20 30 DEEDHN C#C[C@@H]1COCCN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000491299074 406563574 /nfs/dbraw/zinc/56/35/74/406563574.db2.gz YAYQYFSHCMAXOV-QGZVFWFLSA-N 0 3 312.413 2.145 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000491308680 406565523 /nfs/dbraw/zinc/56/55/23/406565523.db2.gz VYITYVBLYPXLMA-HOTGVXAUSA-N 0 3 315.417 2.377 20 30 DEEDHN CSc1cc(C)ccc1CNC[C@@H](O)CN(C)CCC#N ZINC000571396786 406515111 /nfs/dbraw/zinc/51/51/11/406515111.db2.gz MIXRKNHASVLCPC-OAHLLOKOSA-N 0 3 307.463 2.013 20 30 DEEDHN C#C[C@@H](NC(=O)NCc1ccccc1OCCN(C)C)C(C)C ZINC000491012412 406518824 /nfs/dbraw/zinc/51/88/24/406518824.db2.gz CIXZESSFORRJGA-MRXNPFEDSA-N 0 3 317.433 2.084 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000491621425 406635780 /nfs/dbraw/zinc/63/57/80/406635780.db2.gz HBXYIIXMPRTQRM-MRXNPFEDSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN(C)CCCN[C@H](c1nccn1C)c1cccc(F)c1 ZINC000491659151 406655370 /nfs/dbraw/zinc/65/53/70/406655370.db2.gz MNGAISZLSNQUMN-KRWDZBQOSA-N 0 3 314.408 2.193 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000491682246 406667728 /nfs/dbraw/zinc/66/77/28/406667728.db2.gz QURTUKUOAUICLC-QJPTWQEYSA-N 0 3 304.356 2.375 20 30 DEEDHN C=CCn1c(C)cc(C(=O)Cn2cc([C@H](N)C(C)C)nn2)c1C ZINC000640800520 406670242 /nfs/dbraw/zinc/67/02/42/406670242.db2.gz QOJJGALQIPEXSF-QGZVFWFLSA-N 0 3 315.421 2.421 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 ZINC000491698124 406675794 /nfs/dbraw/zinc/67/57/94/406675794.db2.gz LRFOLLIBJSDPDX-IRXDYDNUSA-N 0 3 323.481 2.225 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000491751389 406702216 /nfs/dbraw/zinc/70/22/16/406702216.db2.gz XWZHCRHWQUERDU-ZFWWWQNUSA-N 0 3 306.356 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@H]2C2CCC2)CC1 ZINC000572838091 406749200 /nfs/dbraw/zinc/74/92/00/406749200.db2.gz RKKSDFWLIBTJDU-KRWDZBQOSA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000552420664 406709157 /nfs/dbraw/zinc/70/91/57/406709157.db2.gz OCWXLHBXFIJOMT-CWRNSKLLSA-N 0 3 313.401 2.021 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000491803118 406727330 /nfs/dbraw/zinc/72/73/30/406727330.db2.gz IIRNBKCLOBUKQX-OAUYIBNBSA-N 0 3 315.392 2.282 20 30 DEEDHN C#CCNC(=O)CCNC(C)(C)c1ccc(OCCC)cc1 ZINC000491802561 406727591 /nfs/dbraw/zinc/72/75/91/406727591.db2.gz GGGOJSVLEVPAND-UHFFFAOYSA-N 0 3 302.418 2.440 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000574249349 406780518 /nfs/dbraw/zinc/78/05/18/406780518.db2.gz KKOFHIDZKGNXAB-HIFRSBDPSA-N 0 3 319.792 2.473 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000553781577 406773587 /nfs/dbraw/zinc/77/35/87/406773587.db2.gz CDLWIVVTFPQNFC-RLFYNMQTSA-N 0 3 311.429 2.289 20 30 DEEDHN CCc1c(NC(=O)[C@H](N)CCCC#N)onc1C(F)(F)F ZINC000574809551 406787029 /nfs/dbraw/zinc/78/70/29/406787029.db2.gz SKEQRYKFXMARIP-MRVPVSSYSA-N 0 3 304.272 2.215 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000646572131 406882059 /nfs/dbraw/zinc/88/20/59/406882059.db2.gz WCKCUNKXKCZVED-UONOGXRCSA-N 0 3 308.447 2.184 20 30 DEEDHN CN(Cc1ccccc1)C[C@H](O)CNCC#Cc1ccccc1 ZINC000644514891 407133727 /nfs/dbraw/zinc/13/37/27/407133727.db2.gz GFZJOISQLHVXFW-HXUWFJFHSA-N 0 3 308.425 2.121 20 30 DEEDHN CC[C@@H](C)N1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000570523956 292488443 /nfs/dbraw/zinc/48/84/43/292488443.db2.gz WUAMHVKPMVAOOR-CQSZACIVSA-N 0 3 315.417 2.261 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)[C@H]1C ZINC001088882812 782016351 /nfs/dbraw/zinc/01/63/51/782016351.db2.gz KWEBNCJCDVENMH-LZQZEXGQSA-N 0 3 310.441 2.394 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C(C)C ZINC000133047968 196307774 /nfs/dbraw/zinc/30/77/74/196307774.db2.gz ANWKIRPEEHZMGP-INIZCTEOSA-N 0 3 300.406 2.315 20 30 DEEDHN CC(=O)c1ccc(OC[C@@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000571790164 292573678 /nfs/dbraw/zinc/57/36/78/292573678.db2.gz BBNLUGPLZNCTDK-SFHVURJKSA-N 0 3 324.380 2.290 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CO ZINC000190853584 225095807 /nfs/dbraw/zinc/09/58/07/225095807.db2.gz VZGDCGRLCOTNTP-OCCSQVGLSA-N 0 3 313.319 2.497 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000193265986 225154583 /nfs/dbraw/zinc/15/45/83/225154583.db2.gz BZNXREAAISFKGU-IUODEOHRSA-N 0 3 300.406 2.341 20 30 DEEDHN C[C@@H](CN1CCOCC1)NCc1cccc(OCCCC#N)c1 ZINC000237506617 225211759 /nfs/dbraw/zinc/21/17/59/225211759.db2.gz CEYIOHQNJSGIBN-INIZCTEOSA-N 0 3 317.433 2.179 20 30 DEEDHN CN(C)C/C=C/C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000265656418 225333628 /nfs/dbraw/zinc/33/36/28/225333628.db2.gz PTLZCJBAVZVSGN-ITDFMYJTSA-N 0 3 322.206 2.248 20 30 DEEDHN CN(C)C/C=C/C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000265656419 225333752 /nfs/dbraw/zinc/33/37/52/225333752.db2.gz PTLZCJBAVZVSGN-OOPCZODUSA-N 0 3 322.206 2.248 20 30 DEEDHN Cc1ncsc1CCON=C(N)c1ccc(CN(C)C)cc1 ZINC000267136668 225347248 /nfs/dbraw/zinc/34/72/48/225347248.db2.gz WWZCEODZPUNDBD-UHFFFAOYSA-N 0 3 318.446 2.393 20 30 DEEDHN COCC(C)(C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000330648639 226020642 /nfs/dbraw/zinc/02/06/42/226020642.db2.gz IGSIVOFCTURMCJ-UHFFFAOYSA-N 0 3 320.437 2.227 20 30 DEEDHN N#CC1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCC1 ZINC000333866853 226111064 /nfs/dbraw/zinc/11/10/64/226111064.db2.gz AYXQRSFGZFRBNO-HNNXBMFYSA-N 0 3 304.438 2.340 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2noc3c2CCCCC3)[C@H]1C ZINC001088890688 782025834 /nfs/dbraw/zinc/02/58/34/782025834.db2.gz HOMWRMBILINNOC-HIFRSBDPSA-N 0 3 315.417 2.159 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@H]1C ZINC001088908477 782037411 /nfs/dbraw/zinc/03/74/11/782037411.db2.gz AJSXVTHRYHHFKT-KGLIPLIRSA-N 0 3 303.406 2.322 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000264309148 266145255 /nfs/dbraw/zinc/14/52/55/266145255.db2.gz GLGRZDXCBAMGIY-CZUORRHYSA-N 0 3 300.406 2.403 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2sccc2C#N)C12CCC2 ZINC000296251425 266303485 /nfs/dbraw/zinc/30/34/85/266303485.db2.gz NUJUYSQDHNRCGE-STQMWFEESA-N 0 3 319.430 2.496 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000378313930 424906401 /nfs/dbraw/zinc/90/64/01/424906401.db2.gz HITFFJHNGHQLAM-QFBILLFUSA-N 0 3 312.461 2.016 20 30 DEEDHN CC(C)(C)n1cnc(NC(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000330854279 424911650 /nfs/dbraw/zinc/91/16/50/424911650.db2.gz YHEPAPAPHNSHHR-UHFFFAOYSA-N 0 3 322.457 2.624 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000648999200 424939785 /nfs/dbraw/zinc/93/97/85/424939785.db2.gz JOJLKJONAOITTH-KURKYZTESA-N 0 3 314.429 2.310 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000649362813 425001517 /nfs/dbraw/zinc/00/15/17/425001517.db2.gz HRUNLQPCWNPCLY-OCCSQVGLSA-N 0 3 323.824 2.323 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](c2cccs2)N(C)C)n1 ZINC000596055628 425016506 /nfs/dbraw/zinc/01/65/06/425016506.db2.gz TYWXKGLTYDSQEL-LBPRGKRZSA-N 0 3 301.419 2.687 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)OC[C@H]2CC)CC1 ZINC000650852821 425066444 /nfs/dbraw/zinc/06/64/44/425066444.db2.gz SKHMDDRWBSJGBS-CVEARBPZSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](OC(C)C)C2)CC1 ZINC000650853027 425066579 /nfs/dbraw/zinc/06/65/79/425066579.db2.gz ZATOCRMLTVZCJS-MRXNPFEDSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000650536240 425014723 /nfs/dbraw/zinc/01/47/23/425014723.db2.gz MDFRTDKPBVNCST-ROUUACIJSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1[C@@H](C)O)C(C)C ZINC000663668506 425210878 /nfs/dbraw/zinc/21/08/78/425210878.db2.gz PSJCGTJPNXHVCL-ZACQAIPSSA-N 0 3 323.481 2.240 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(COC)cs2)CC1 ZINC000660704162 425211616 /nfs/dbraw/zinc/21/16/16/425211616.db2.gz KSYUCWVJMBXBAD-UHFFFAOYSA-N 0 3 323.462 2.344 20 30 DEEDHN Clc1cccc(C#CCN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000661144739 425334625 /nfs/dbraw/zinc/33/46/25/425334625.db2.gz FBRIODKKVFHGII-OAHLLOKOSA-N 0 3 300.793 2.305 20 30 DEEDHN C=CCCc1ccccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654064041 425280809 /nfs/dbraw/zinc/28/08/09/425280809.db2.gz GYAAEFIGXBVLJA-JKSUJKDBSA-N 0 3 315.417 2.088 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664078295 425303099 /nfs/dbraw/zinc/30/30/99/425303099.db2.gz JSUICHOYGQCIRL-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCCn1cc(CNCC(C)(C)N2CCC[C@@H](C)C2)nn1 ZINC000657324591 425304126 /nfs/dbraw/zinc/30/41/26/425304126.db2.gz DXQLZMZCIQHYAT-OAHLLOKOSA-N 0 3 305.470 2.454 20 30 DEEDHN C=CCCn1cc(CNCCCc2nc3ccccc3[nH]2)nn1 ZINC000657331610 425305369 /nfs/dbraw/zinc/30/53/69/425305369.db2.gz IYBJTZSYFXWLBP-UHFFFAOYSA-N 0 3 310.405 2.453 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654554185 425380280 /nfs/dbraw/zinc/38/02/80/425380280.db2.gz VUGQLRUDAINSDR-QZWWFDLISA-N 0 3 321.465 2.284 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000659094322 425527343 /nfs/dbraw/zinc/52/73/43/425527343.db2.gz JKJRBMILNHNZNW-AWEZNQCLSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C[C@H](CO)NC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000662163707 425578522 /nfs/dbraw/zinc/57/85/22/425578522.db2.gz IWWSNDJFXIMDKE-CABCVRRESA-N 0 3 310.397 2.292 20 30 DEEDHN NC[C@@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000655515804 425588131 /nfs/dbraw/zinc/58/81/31/425588131.db2.gz LITVBPQKBCGNQA-MRVPVSSYSA-N 0 3 318.192 2.464 20 30 DEEDHN C=CCOc1cccc(NC(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662407269 425643757 /nfs/dbraw/zinc/64/37/57/425643757.db2.gz XGPPMXZRGACGER-GFCCVEGCSA-N 0 3 312.373 2.304 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)CC1CCS(=O)(=O)CC1 ZINC000425530119 269118923 /nfs/dbraw/zinc/11/89/23/269118923.db2.gz DSAFQIWKIDAQBK-CYBMUJFWSA-N 0 3 306.431 2.376 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CNc1cccc(C#N)c1 ZINC000495058987 269149754 /nfs/dbraw/zinc/14/97/54/269149754.db2.gz LNASXZZDXCMNMH-GJZGRUSLSA-N 0 3 314.433 2.207 20 30 DEEDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(C#N)cn2)C1 ZINC000496477602 269222146 /nfs/dbraw/zinc/22/21/46/269222146.db2.gz HYWUXXCVWKOKSC-UKRRQHHQSA-N 0 3 316.405 2.300 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2noc3ccc(F)cc23)[C@H]1C ZINC001088914598 782043664 /nfs/dbraw/zinc/04/36/64/782043664.db2.gz KSEPJFSTIBFVLU-RISCZKNCSA-N 0 3 317.364 2.274 20 30 DEEDHN CS[C@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1N(C)C ZINC000286085977 274187004 /nfs/dbraw/zinc/18/70/04/274187004.db2.gz BYLUDJCTPTZPCC-CBAPKCEASA-N 0 3 302.856 2.150 20 30 DEEDHN C#CCNC(=O)C1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000491156073 275382931 /nfs/dbraw/zinc/38/29/31/275382931.db2.gz XBZFGFKEPQLFOZ-QGZVFWFLSA-N 0 3 300.377 2.274 20 30 DEEDHN CN1CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419618542 277048017 /nfs/dbraw/zinc/04/80/17/277048017.db2.gz XDVHSBDRJXCHGC-QGZVFWFLSA-N 0 3 312.417 2.283 20 30 DEEDHN COC(=O)[C@H]1CSCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000332240776 277137511 /nfs/dbraw/zinc/13/75/11/277137511.db2.gz UWGWTZSCUDSPIU-SWLSCSKDSA-N 0 3 304.415 2.457 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000329588806 278214292 /nfs/dbraw/zinc/21/42/92/278214292.db2.gz SJXFMZPLWXJCPE-SOUVJXGZSA-N 0 3 310.438 2.116 20 30 DEEDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000330273253 279164330 /nfs/dbraw/zinc/16/43/30/279164330.db2.gz YXELEJKCJQJEQJ-WFASDCNBSA-N 0 3 309.435 2.361 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451378516 279214462 /nfs/dbraw/zinc/21/44/62/279214462.db2.gz YCAPWUBYNJBNMV-WXQHOCMDSA-N 0 3 301.434 2.139 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328642483 288114237 /nfs/dbraw/zinc/11/42/37/288114237.db2.gz FYBYBOCFBCSQFH-KBMXLJTQSA-N 0 3 321.465 2.322 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)N1CCCC1=O ZINC000329819827 280133896 /nfs/dbraw/zinc/13/38/96/280133896.db2.gz XYWQEIZBZPYSNZ-JGGQBBKZSA-N 0 3 307.438 2.073 20 30 DEEDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000330273251 280160774 /nfs/dbraw/zinc/16/07/74/280160774.db2.gz YXELEJKCJQJEQJ-IUODEOHRSA-N 0 3 309.435 2.361 20 30 DEEDHN CC[C@](NC(=O)C(C#N)CCc1ccccc1)(C(N)=O)C(C)C ZINC000433363168 281298790 /nfs/dbraw/zinc/29/87/90/281298790.db2.gz GWJCJAYNKWOVHA-MAUKXSAKSA-N 0 3 315.417 2.165 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000269100483 290182277 /nfs/dbraw/zinc/18/22/77/290182277.db2.gz RTFDZGPEDOUFOA-ZIAGYGMSSA-N 0 3 300.362 2.387 20 30 DEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]C[C@H]1CCCCS1 ZINC000329902442 295378465 /nfs/dbraw/zinc/37/84/65/295378465.db2.gz HRLHMMLVURQFBL-QWHCGFSZSA-N 0 3 308.451 2.235 20 30 DEEDHN [O-]C(NC[C@H]1CCCCS1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329902442 295378466 /nfs/dbraw/zinc/37/84/66/295378466.db2.gz HRLHMMLVURQFBL-QWHCGFSZSA-N 0 3 308.451 2.235 20 30 DEEDHN N#Cc1ncc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1Cl ZINC000573419186 326054438 /nfs/dbraw/zinc/05/44/38/326054438.db2.gz CUWKMZOWEUEQDG-GFCCVEGCSA-N 0 3 319.796 2.309 20 30 DEEDHN C=CCn1c(CC)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000569438505 332082876 /nfs/dbraw/zinc/08/28/76/332082876.db2.gz UCQYOLMDGVVGMJ-RRFJBIMHSA-N 0 3 303.454 2.193 20 30 DEEDHN N#CCCCNCCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000569838930 332684528 /nfs/dbraw/zinc/68/45/28/332684528.db2.gz VKUSDKAUAFDDBY-UHFFFAOYSA-N 0 3 314.389 2.035 20 30 DEEDHN CC1(C#N)CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000584341155 333805165 /nfs/dbraw/zinc/80/51/65/333805165.db2.gz ZTALWGHPMJSDQL-INIZCTEOSA-N 0 3 312.417 2.209 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000050025568 334362416 /nfs/dbraw/zinc/36/24/16/334362416.db2.gz AAKUCKNJXWLMIT-ZDUSSCGKSA-N 0 3 318.392 2.357 20 30 DEEDHN C=CCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000052635553 334820553 /nfs/dbraw/zinc/82/05/53/334820553.db2.gz LNMWHCWTZVAFNX-MRXNPFEDSA-N 0 3 303.406 2.317 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000343761813 335191254 /nfs/dbraw/zinc/19/12/54/335191254.db2.gz IDJOFHAQOCQOOD-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)[C@@]1(C)C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000397162280 337256777 /nfs/dbraw/zinc/25/67/77/337256777.db2.gz WCEPXZONZVBVPT-HZPDHXFCSA-N 0 3 306.431 2.356 20 30 DEEDHN COC(=O)CCN(Cc1ccc(CC#N)cc1)C[C@H]1CCCO1 ZINC000399240580 337314451 /nfs/dbraw/zinc/31/44/51/337314451.db2.gz TZAAOAXSOFVXCE-QGZVFWFLSA-N 0 3 316.401 2.297 20 30 DEEDHN COC(=O)c1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c[nH]1 ZINC000331180330 533716689 /nfs/dbraw/zinc/71/66/89/533716689.db2.gz GWJQQYUTWUEOQY-NWDGAFQWSA-N 0 3 307.394 2.226 20 30 DEEDHN CC#CCN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178067601 340446692 /nfs/dbraw/zinc/44/66/92/340446692.db2.gz LBYUHJOQOPTTKN-UHFFFAOYSA-N 0 3 310.438 2.406 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)NCC2(C#N)CC2)c1 ZINC000521528188 340523509 /nfs/dbraw/zinc/52/35/09/340523509.db2.gz MSINTDTZGDIKMN-UHFFFAOYSA-N 0 3 302.378 2.052 20 30 DEEDHN COCCc1noc(CC2CCN([C@@H](C)CCC#N)CC2)n1 ZINC000528627073 340727081 /nfs/dbraw/zinc/72/70/81/340727081.db2.gz NMVOMHYLFWGWBH-ZDUSSCGKSA-N 0 3 306.410 2.205 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CSC(C)C)C1 ZINC001376356375 1159356930 /nfs/dbraw/zinc/35/69/30/1159356930.db2.gz NKYSHHNGKVDXFA-XYPYZODXSA-N 0 3 321.284 2.273 20 30 DEEDHN CN(C(=O)CN[C@@H](CO)C1CCCCC1)C1(C#N)CCCCC1 ZINC000542912266 341026145 /nfs/dbraw/zinc/02/61/45/341026145.db2.gz IOKHGWWKRPTPLO-INIZCTEOSA-N 0 3 321.465 2.202 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2coc(-c3ccccc3)n2)CC1 ZINC000132896424 341148661 /nfs/dbraw/zinc/14/86/61/341148661.db2.gz BZGPPQAHQZGTIU-UHFFFAOYSA-N 0 3 323.396 2.303 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC000548798257 341276163 /nfs/dbraw/zinc/27/61/63/341276163.db2.gz FVKZXFVOJBLGRG-UHFFFAOYSA-N 0 3 302.422 2.154 20 30 DEEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000249309152 341396340 /nfs/dbraw/zinc/39/63/40/341396340.db2.gz HQFGEQOXWHXZGE-LSDHHAIUSA-N 0 3 310.438 2.075 20 30 DEEDHN Cc1ccc(NC(=O)NC[C@@H](C)C#N)c(OCCN(C)C)c1 ZINC000176471096 341877763 /nfs/dbraw/zinc/87/77/63/341877763.db2.gz GFQAIQKAHPUQGN-ZDUSSCGKSA-N 0 3 304.394 2.217 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001357011367 1152211679 /nfs/dbraw/zinc/21/16/79/1152211679.db2.gz JUBXWTCUUBIFCB-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H](C)CC)C1 ZINC001397096547 1159976362 /nfs/dbraw/zinc/97/63/62/1159976362.db2.gz NQCXMWYXKRANNY-YUSALJHKSA-N 0 3 303.244 2.426 20 30 DEEDHN Cc1cc(CN[C@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)no1 ZINC001378373402 1152308613 /nfs/dbraw/zinc/30/86/13/1152308613.db2.gz QXHWFCXTMZMATQ-IUODEOHRSA-N 0 3 306.410 2.105 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H](C)n1cccn1)C1CC1 ZINC001378411798 1152320622 /nfs/dbraw/zinc/32/06/22/1152320622.db2.gz JWILLOHVDFVTLT-XJKSGUPXSA-N 0 3 324.856 2.461 20 30 DEEDHN C=C(Cl)CNC[C@@H](CCCC)NC(=O)[C@H]1CCCCN1C ZINC001378444499 1152331459 /nfs/dbraw/zinc/33/14/59/1152331459.db2.gz NADRFJMXKVTGLE-HUUCEWRRSA-N 0 3 315.889 2.488 20 30 DEEDHN COc1ccc(CN2CCC(CCNC(C)=O)CC2)cc1C#N ZINC001378459189 1152337376 /nfs/dbraw/zinc/33/73/76/1152337376.db2.gz GUCPUKDKQPWJMT-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1C[C@@H](C(=O)OC)c2ccccc21 ZINC001358050527 1152358039 /nfs/dbraw/zinc/35/80/39/1152358039.db2.gz BZCRZADAOSYKKU-PMPSAXMXSA-N 0 3 316.401 2.188 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001378562669 1152377785 /nfs/dbraw/zinc/37/77/85/1152377785.db2.gz VTUVXWFVWXNVPT-UONOGXRCSA-N 0 3 319.474 2.399 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC001329951405 1149022532 /nfs/dbraw/zinc/02/25/32/1149022532.db2.gz GSLXXWWRNWBLDG-QGZVFWFLSA-N 0 3 302.393 2.362 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)Cn1ccnc1C)C(C)(C)C ZINC001369548291 1149034572 /nfs/dbraw/zinc/03/45/72/1149034572.db2.gz BSOONIQWYJIYQZ-ZDUSSCGKSA-N 0 3 312.845 2.065 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](CCCC(=O)OC)C2)nn1 ZINC000424169673 500571623 /nfs/dbraw/zinc/57/16/23/500571623.db2.gz IRWSAKFQPSCYGO-LSDHHAIUSA-N 0 3 320.437 2.456 20 30 DEEDHN CCC(CC)CN1CCO[C@]2(CCN(C(=O)C#CC(C)C)C2)C1 ZINC001330158628 1149055372 /nfs/dbraw/zinc/05/53/72/1149055372.db2.gz BQMGJQNDSVYFRS-LJQANCHMSA-N 0 3 320.477 2.385 20 30 DEEDHN C[C@@H](O)CCCN1C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001330202475 1149068090 /nfs/dbraw/zinc/06/80/90/1149068090.db2.gz IQRPYHFSWAURKE-CABCVRRESA-N 0 3 308.466 2.024 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COc2ccccc2)C(C)(C)C1 ZINC001330245913 1149079808 /nfs/dbraw/zinc/07/98/08/1149079808.db2.gz ZMZRTAYHNANDGE-MRXNPFEDSA-N 0 3 302.418 2.468 20 30 DEEDHN C#CCCN(C)CCNC(=O)C(C)(C)c1ccccc1OC ZINC001492893790 1161757901 /nfs/dbraw/zinc/75/79/01/1161757901.db2.gz APKMXANAKVPZMI-UHFFFAOYSA-N 0 3 302.418 2.044 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H](C)SC)C1 ZINC001378815875 1152455906 /nfs/dbraw/zinc/45/59/06/1152455906.db2.gz QREFBBRXSFSFJV-DCAQKATOSA-N 0 3 321.284 2.131 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C(C)(C)CC(F)(F)F)[C@@H]2C1 ZINC001330347705 1149096778 /nfs/dbraw/zinc/09/67/78/1149096778.db2.gz OZHNKCPNPJCHLP-XYYAHUGASA-N 0 3 316.367 2.282 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](OCC)C(C)C)C1 ZINC001378829726 1152460325 /nfs/dbraw/zinc/46/03/25/1152460325.db2.gz BTTVVDFNZFMQJC-IHRRRGAJSA-N 0 3 302.846 2.284 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)c3ccco3)[C@@H]2C1 ZINC001330360937 1149099127 /nfs/dbraw/zinc/09/91/27/1149099127.db2.gz VBZWJFDGAVARMY-YHUYYLMFSA-N 0 3 300.402 2.091 20 30 DEEDHN C[C@H](NC(=O)Nc1ccc([S@](C)=O)cc1)C1=CCN(C)CC1 ZINC000330787769 534280284 /nfs/dbraw/zinc/28/02/84/534280284.db2.gz PRHOGBYZXIFGAE-YTEVENLXSA-N 0 3 321.446 2.400 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC[C@@H](C)O ZINC000450745239 534439569 /nfs/dbraw/zinc/43/95/69/534439569.db2.gz OSMWXXZKFBOOGA-CQSZACIVSA-N 0 3 324.494 2.356 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001358794912 1152486199 /nfs/dbraw/zinc/48/61/99/1152486199.db2.gz PEAXPVHJMFPJCW-RDTXWAMCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458218867 534581922 /nfs/dbraw/zinc/58/19/22/534581922.db2.gz RNCTYZYEIFVILZ-CVEARBPZSA-N 0 3 318.417 2.465 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1OCC(=O)OC ZINC000453373896 534610580 /nfs/dbraw/zinc/61/05/80/534610580.db2.gz VWGUUKVDXWWUKC-YUELXQCFSA-N 0 3 305.374 2.233 20 30 DEEDHN N#CCCCOc1cccc(CN2CC[C@@H](CC(N)=O)C2)c1 ZINC000368133412 534614787 /nfs/dbraw/zinc/61/47/87/534614787.db2.gz JDSPORLRUDDQBU-HNNXBMFYSA-N 0 3 301.390 2.066 20 30 DEEDHN COC(=O)[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000156036313 523950845 /nfs/dbraw/zinc/95/08/45/523950845.db2.gz HQIYDIXPNINVTG-HNNXBMFYSA-N 0 3 302.374 2.212 20 30 DEEDHN Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000331317876 534846418 /nfs/dbraw/zinc/84/64/18/534846418.db2.gz JSUYXHSYPJZGEE-SWLSCSKDSA-N 0 3 321.469 2.414 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000449940373 534881955 /nfs/dbraw/zinc/88/19/55/534881955.db2.gz MFFLZUIJLHKNQD-HOCLYGCPSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)n2nc(C)cc2C)CC1 ZINC000330656433 526423814 /nfs/dbraw/zinc/42/38/14/526423814.db2.gz NSUWYJYBHMWIRL-OAHLLOKOSA-N 0 3 304.438 2.218 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000340407221 526523003 /nfs/dbraw/zinc/52/30/03/526523003.db2.gz RQKRPHGIMUDORE-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000338234009 526543266 /nfs/dbraw/zinc/54/32/66/526543266.db2.gz SVUGJEZAJOINCT-CAOSSQGBSA-N 0 3 306.450 2.347 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2OC)CC1 ZINC000340968710 526592518 /nfs/dbraw/zinc/59/25/18/526592518.db2.gz CVIDWNDSKNVQRY-ZBFHGGJFSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000330646077 526597115 /nfs/dbraw/zinc/59/71/15/526597115.db2.gz GPLJNOSPUXRFEP-CYBMUJFWSA-N 0 3 318.465 2.297 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000356280512 526600130 /nfs/dbraw/zinc/60/01/30/526600130.db2.gz MTDPATHWWMHEKM-UHFFFAOYSA-N 0 3 313.445 2.449 20 30 DEEDHN C=CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1OCC ZINC000413039186 526613062 /nfs/dbraw/zinc/61/30/62/526613062.db2.gz UXOFPVAIKQBHCS-IAGOWNOFSA-N 0 3 317.433 2.009 20 30 DEEDHN N#Cc1ccc([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000364054453 526689810 /nfs/dbraw/zinc/68/98/10/526689810.db2.gz GKLAULAEILDXNU-AWEZNQCLSA-N 0 3 316.361 2.132 20 30 DEEDHN C#CCCS(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000377288143 526749423 /nfs/dbraw/zinc/74/94/23/526749423.db2.gz HSYCOOSSPTZOIN-HNNXBMFYSA-N 0 3 320.458 2.155 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000332546853 526776254 /nfs/dbraw/zinc/77/62/54/526776254.db2.gz CIETZUNIODCZEK-BBWFWOEESA-N 0 3 323.481 2.387 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000341370143 527039940 /nfs/dbraw/zinc/03/99/40/527039940.db2.gz MGXRUWTWIFMRPX-MRXNPFEDSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375643642 527042080 /nfs/dbraw/zinc/04/20/80/527042080.db2.gz WDKKWVDNLLNRST-SJORKVTESA-N 0 3 322.497 2.151 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000375643637 527042137 /nfs/dbraw/zinc/04/21/37/527042137.db2.gz WDKKWVDNLLNRST-IAGOWNOFSA-N 0 3 322.497 2.151 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000341461516 527042698 /nfs/dbraw/zinc/04/26/98/527042698.db2.gz JLYFFEGCDDNAND-OAHLLOKOSA-N 0 3 310.486 2.056 20 30 DEEDHN C#CC[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292537724 527174810 /nfs/dbraw/zinc/17/48/10/527174810.db2.gz JHYGOMCAZYWBJL-HKUYNNGSSA-N 0 3 311.429 2.488 20 30 DEEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000341869570 527189536 /nfs/dbraw/zinc/18/95/36/527189536.db2.gz AYDWFVHSTNANDY-RYUDHWBXSA-N 0 3 315.410 2.064 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000337856295 527314894 /nfs/dbraw/zinc/31/48/94/527314894.db2.gz LLVNQFDXMNABEZ-INIZCTEOSA-N 0 3 315.465 2.481 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](O)CC ZINC000442551387 527319089 /nfs/dbraw/zinc/31/90/89/527319089.db2.gz CSOJJMSPCSJQLG-AWEZNQCLSA-N 0 3 324.494 2.356 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000337837326 527350162 /nfs/dbraw/zinc/35/01/62/527350162.db2.gz CTSICOOIYZCLDB-CABCVRRESA-N 0 3 319.453 2.092 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)CC1 ZINC000337806489 527358875 /nfs/dbraw/zinc/35/88/75/527358875.db2.gz HZVJVHZCMAXDOM-OAHLLOKOSA-N 0 3 319.453 2.094 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000371282482 527384031 /nfs/dbraw/zinc/38/40/31/527384031.db2.gz HJRVAKHGOXOLQW-DZJNRPSUSA-N 0 3 314.429 2.214 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000351631591 527452091 /nfs/dbraw/zinc/45/20/91/527452091.db2.gz GQEBCXPZKUKTBD-QGZVFWFLSA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccncn1)C(C)C ZINC000194040288 527647554 /nfs/dbraw/zinc/64/75/54/527647554.db2.gz SEXONYLIEIUXJL-AWEZNQCLSA-N 0 3 303.410 2.297 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](O)C1)C(C)C ZINC000357567553 527648070 /nfs/dbraw/zinc/64/80/70/527648070.db2.gz ILUQOBHOCAWEIG-BRWVUGGUSA-N 0 3 323.481 2.097 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(CC)n[nH]1)C(C)C ZINC000344785360 527649703 /nfs/dbraw/zinc/64/97/03/527649703.db2.gz LSNPXVDCLIFUER-MRXNPFEDSA-N 0 3 304.438 2.401 20 30 DEEDHN CC(C)[C@H]1CN(C)CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000331009513 527851570 /nfs/dbraw/zinc/85/15/70/527851570.db2.gz VATMILWARXKGHW-QGZVFWFLSA-N 0 3 314.433 2.159 20 30 DEEDHN CC(C)N1CCN(CCCN(CCC#N)Cc2ccco2)CC1 ZINC000191525509 529041917 /nfs/dbraw/zinc/04/19/17/529041917.db2.gz QPHTYUBKJPGMKK-UHFFFAOYSA-N 0 3 318.465 2.411 20 30 DEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H](COC)Cc1ccccc1 ZINC000424120158 529058456 /nfs/dbraw/zinc/05/84/56/529058456.db2.gz GYSOOUBIFMKLHK-DLBZAZTESA-N 0 3 317.433 2.114 20 30 DEEDHN CCc1cccc(NC(=[NH2+])NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000262568663 529176532 /nfs/dbraw/zinc/17/65/32/529176532.db2.gz YNIPNBOAORWAQT-UHFFFAOYSA-N 0 3 312.299 2.313 20 30 DEEDHN CCc1cccc(NC(=[NH2+])NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000262568663 529176535 /nfs/dbraw/zinc/17/65/35/529176535.db2.gz YNIPNBOAORWAQT-UHFFFAOYSA-N 0 3 312.299 2.313 20 30 DEEDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)N(CCC#N)CCC#N ZINC000189506691 529226881 /nfs/dbraw/zinc/22/68/81/529226881.db2.gz IZLFLOJJJNVIFX-GJZGRUSLSA-N 0 3 322.478 2.296 20 30 DEEDHN CC[C@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000453431119 536148282 /nfs/dbraw/zinc/14/82/82/536148282.db2.gz ULSFAHZXRIDJTF-AWEZNQCLSA-N 0 3 324.432 2.274 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000355426652 536350270 /nfs/dbraw/zinc/35/02/70/536350270.db2.gz VIBFJPAUPKPGJE-MRXNPFEDSA-N 0 3 317.408 2.476 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cn1cc(C2CC2)cn1)C(C)C ZINC001378961408 1152508196 /nfs/dbraw/zinc/50/81/96/1152508196.db2.gz FLKTWOYNGXBCHU-OAHLLOKOSA-N 0 3 324.856 2.243 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cnccc1C)C(C)C ZINC001378968852 1152511442 /nfs/dbraw/zinc/51/14/42/1152511442.db2.gz YTIHAZKDHLXDIS-OAHLLOKOSA-N 0 3 309.841 2.415 20 30 DEEDHN COCC(=O)N1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001089096461 782168927 /nfs/dbraw/zinc/16/89/27/782168927.db2.gz MYNHFTLQNQEWKM-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1Cc2ccccc2CN1CCC ZINC001327505777 1148572153 /nfs/dbraw/zinc/57/21/53/1148572153.db2.gz DZCRDHMMBUSXGR-HKUYNNGSSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001327523363 1148576201 /nfs/dbraw/zinc/57/62/01/1148576201.db2.gz AZVRHUOUGXRHIH-AUNFYEFLSA-N 0 3 324.852 2.093 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000835065061 649874410 /nfs/dbraw/zinc/87/44/10/649874410.db2.gz LYIYAYYVQBJCOR-NEPJUHHUSA-N 0 3 318.398 2.163 20 30 DEEDHN C=CCOc1ccc(CC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000835065241 649874544 /nfs/dbraw/zinc/87/45/44/649874544.db2.gz NTOMXFDAKLLNLC-HNNXBMFYSA-N 0 3 300.358 2.027 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCC1CCOCC1 ZINC001368736972 1148627664 /nfs/dbraw/zinc/62/76/64/1148627664.db2.gz JJNZUOIDSRBTNU-ZDUSSCGKSA-N 0 3 302.846 2.430 20 30 DEEDHN CCn1c2ccccc2nc1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000328586694 563929750 /nfs/dbraw/zinc/92/97/50/563929750.db2.gz GPWNDWLWYWBBCK-OAHLLOKOSA-N 0 3 313.405 2.034 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001379348828 1152613168 /nfs/dbraw/zinc/61/31/68/1152613168.db2.gz OCOZYAQAZIZEPS-NWDGAFQWSA-N 0 3 323.437 2.291 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001379414866 1152620917 /nfs/dbraw/zinc/62/09/17/1152620917.db2.gz VDTDUIYVJXCTGD-WBMJQRKESA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNC[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001379602807 1152649851 /nfs/dbraw/zinc/64/98/51/1152649851.db2.gz VVQCEPGXZAFDAM-DZGCQCFKSA-N 0 3 309.841 2.136 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819733780 606746445 /nfs/dbraw/zinc/74/64/45/606746445.db2.gz BHDWJYCAIWYXJR-INIZCTEOSA-N 0 3 313.405 2.158 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819733780 606746447 /nfs/dbraw/zinc/74/64/47/606746447.db2.gz BHDWJYCAIWYXJR-INIZCTEOSA-N 0 3 313.405 2.158 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819733780 606746449 /nfs/dbraw/zinc/74/64/49/606746449.db2.gz BHDWJYCAIWYXJR-INIZCTEOSA-N 0 3 313.405 2.158 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819733780 606746451 /nfs/dbraw/zinc/74/64/51/606746451.db2.gz BHDWJYCAIWYXJR-INIZCTEOSA-N 0 3 313.405 2.158 20 30 DEEDHN Cc1nc(CNC[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)sc1C ZINC001330594122 1149206650 /nfs/dbraw/zinc/20/66/50/1149206650.db2.gz BTLWBSGZFKADJT-SHTZXODSSA-N 0 3 317.458 2.158 20 30 DEEDHN C=CCCOCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823899103 608523587 /nfs/dbraw/zinc/52/35/87/608523587.db2.gz LNNCKNOBRUZPOL-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CCCOCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823899103 608523588 /nfs/dbraw/zinc/52/35/88/608523588.db2.gz LNNCKNOBRUZPOL-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001023463571 625281746 /nfs/dbraw/zinc/28/17/46/625281746.db2.gz PFHQSCRTJNNHKB-HNNXBMFYSA-N 0 3 316.449 2.101 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2nc(Cl)sc2C)C1 ZINC001023481864 625289867 /nfs/dbraw/zinc/28/98/67/625289867.db2.gz QXMSPVSHOVUUKK-LLVKDONJSA-N 0 3 311.838 2.180 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cnc(C)o1 ZINC001025239714 625299970 /nfs/dbraw/zinc/29/99/70/625299970.db2.gz IFKLEVAYDVZDKC-IRXDYDNUSA-N 0 3 315.417 2.004 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cscn1 ZINC001025276238 625320665 /nfs/dbraw/zinc/32/06/65/625320665.db2.gz HMWDGNUMGNZCTJ-JKSUJKDBSA-N 0 3 317.458 2.164 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(F)c2OCC)C1 ZINC001023673637 625382799 /nfs/dbraw/zinc/38/27/99/625382799.db2.gz WESJDPPVZBUJNV-CQSZACIVSA-N 0 3 318.392 2.299 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2snnc2C(C)C)C1 ZINC001023667966 625378673 /nfs/dbraw/zinc/37/86/73/625378673.db2.gz MQKDNPHCUULCRV-GFCCVEGCSA-N 0 3 308.451 2.289 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2OC)C1 ZINC001023716789 625396503 /nfs/dbraw/zinc/39/65/03/625396503.db2.gz SEBDWDBYKSDXAO-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2sccc2COC)C1 ZINC001023701859 625393308 /nfs/dbraw/zinc/39/33/08/625393308.db2.gz WTEVONYKAGQHAF-CQSZACIVSA-N 0 3 320.458 2.360 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2oc(CCC)nc2C)C1 ZINC001023701491 625393447 /nfs/dbraw/zinc/39/34/47/625393447.db2.gz UFDMFOVGGORRNN-AWEZNQCLSA-N 0 3 303.406 2.011 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cn(C(C)C)nc2C)C1 ZINC001023697873 625394028 /nfs/dbraw/zinc/39/40/28/625394028.db2.gz JEUSOQZMIYAJRG-INIZCTEOSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001023705544 625394402 /nfs/dbraw/zinc/39/44/02/625394402.db2.gz UJMINKMPZOHCJT-HNNXBMFYSA-N 0 3 301.434 2.288 20 30 DEEDHN C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001025388469 625397096 /nfs/dbraw/zinc/39/70/96/625397096.db2.gz HPJYFZOTMBCRGO-XBFYPFSCSA-N 0 3 320.824 2.469 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(OCC)cc2)C1 ZINC001023725192 625401692 /nfs/dbraw/zinc/40/16/92/625401692.db2.gz KVMRJDQNCGRWIY-OAHLLOKOSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001023738475 625414860 /nfs/dbraw/zinc/41/48/60/625414860.db2.gz ADOILDWMXGNCAG-CYBMUJFWSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(CC)ccn2)C1 ZINC001025425357 625423815 /nfs/dbraw/zinc/42/38/15/625423815.db2.gz PAPOHJSKJUPUBE-NVXWUHKLSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccnn2C(F)F)C1 ZINC001025428162 625427235 /nfs/dbraw/zinc/42/72/35/625427235.db2.gz LKRNTTCVKBVRPY-CHWSQXEVSA-N 0 3 324.375 2.132 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn(C(F)F)n2)C1 ZINC001025429575 625427726 /nfs/dbraw/zinc/42/77/26/625427726.db2.gz VHASJSMMAOEZSU-OLZOCXBDSA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001023764315 625428282 /nfs/dbraw/zinc/42/82/82/625428282.db2.gz ALRGULALUXFUJP-GRTSSRMGSA-N 0 3 314.351 2.180 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001025436484 625432411 /nfs/dbraw/zinc/43/24/11/625432411.db2.gz MBUVTKBBDFCYMA-AAEUAGOBSA-N 0 3 322.840 2.225 20 30 DEEDHN C#CCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893303663 625434160 /nfs/dbraw/zinc/43/41/60/625434160.db2.gz RPWGNVBIYKRRAQ-QGZVFWFLSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC001025445669 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HCAJBIGRJYUGES-UKRRQHHQSA-N 0 3 319.836 2.238 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C)c(C)n2)C1 ZINC001021634591 623868602 /nfs/dbraw/zinc/86/86/02/623868602.db2.gz DBSIXEOPNIIDOY-SJLPKXTDSA-N 0 3 311.429 2.258 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ncc(C)cc2C)C1 ZINC001021637677 623876356 /nfs/dbraw/zinc/87/63/56/623876356.db2.gz DYWZQKUGSBFQPQ-SJORKVTESA-N 0 3 311.429 2.258 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C)c(C)cn2)C1 ZINC001021640851 623885495 /nfs/dbraw/zinc/88/54/95/623885495.db2.gz YIVHZWUQXQBGON-FUHWJXTLSA-N 0 3 311.429 2.258 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cnc(C(C)C)s2)C1 ZINC000970998364 623900837 /nfs/dbraw/zinc/90/08/37/623900837.db2.gz FJROXDDQRSXAED-LBPRGKRZSA-N 0 3 305.447 2.340 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc(C)oc2C)C1 ZINC001021699238 623982062 /nfs/dbraw/zinc/98/20/62/623982062.db2.gz IGJYSMTZIZFUAU-JKSUJKDBSA-N 0 3 315.417 2.241 20 30 DEEDHN CC[C@H](OC)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971187277 624065913 /nfs/dbraw/zinc/06/59/13/624065913.db2.gz NSCRVOTYHXAUOS-SJORKVTESA-N 0 3 315.417 2.016 20 30 DEEDHN Cc1ncoc1C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971279478 624090019 /nfs/dbraw/zinc/09/00/19/624090019.db2.gz CLVFFZAJAUIQGY-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN C#CCC1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000933300861 624160333 /nfs/dbraw/zinc/16/03/33/624160333.db2.gz LSDAUFWQGIJZRN-UHFFFAOYSA-N 0 3 313.357 2.020 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC3(F)F)C2)c1 ZINC001022052933 624184711 /nfs/dbraw/zinc/18/47/11/624184711.db2.gz DNPPIJDBZBGZKG-FRRDWIJNSA-N 0 3 323.318 2.089 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2F)C1 ZINC000971594743 624191446 /nfs/dbraw/zinc/19/14/46/624191446.db2.gz VRDAHGMEIMZACK-ZIAGYGMSSA-N 0 3 306.381 2.312 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@](C)(CO)Cc1ccccc1F ZINC000933436745 624214121 /nfs/dbraw/zinc/21/41/21/624214121.db2.gz HCEBSOYDOSVXLA-GOSISDBHSA-N 0 3 322.424 2.133 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001022180631 624492886 /nfs/dbraw/zinc/49/28/86/624492886.db2.gz XBFHHHXJJPCBRM-XJFOESAGSA-N 0 3 300.830 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001022236015 624516478 /nfs/dbraw/zinc/51/64/78/624516478.db2.gz VSNLRSNMKLKISW-BETUJISGSA-N 0 3 318.808 2.246 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@](C)(OC)c2ccccc2)C1 ZINC001027652804 634392281 /nfs/dbraw/zinc/39/22/81/634392281.db2.gz UEWJOGFNUBOLAQ-IEBWSBKVSA-N 0 3 314.429 2.104 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000998748026 634394219 /nfs/dbraw/zinc/39/42/19/634394219.db2.gz UUYIRQPIRRECFP-IAQYHMDHSA-N 0 3 307.344 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(COC)c2)C1 ZINC001022379813 624625562 /nfs/dbraw/zinc/62/55/62/624625562.db2.gz LQVMZUGLGAYXSD-GASCZTMLSA-N 0 3 308.809 2.436 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC000971890539 624694767 /nfs/dbraw/zinc/69/47/67/624694767.db2.gz UVSZYOHOIZNPLH-CQSZACIVSA-N 0 3 306.381 2.096 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC000971939556 624724308 /nfs/dbraw/zinc/72/43/08/624724308.db2.gz JAEIGPFEQBJJIV-JKSUJKDBSA-N 0 3 318.392 2.238 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC000972009337 624768778 /nfs/dbraw/zinc/76/87/78/624768778.db2.gz PSCLQMQDFIGORP-NVXWUHKLSA-N 0 3 314.429 2.498 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001022617028 624786670 /nfs/dbraw/zinc/78/66/70/624786670.db2.gz HYRROKXAWOXRTC-TXEJJXNPSA-N 0 3 314.763 2.497 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972095733 624834690 /nfs/dbraw/zinc/83/46/90/624834690.db2.gz RWFLFZVXHVWGOL-CVEARBPZSA-N 0 3 303.381 2.339 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC001027666322 634413790 /nfs/dbraw/zinc/41/37/90/634413790.db2.gz DNWYNRCAXUVPMS-HNNXBMFYSA-N 0 3 320.820 2.275 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C[C@H]1C ZINC000947492696 624847877 /nfs/dbraw/zinc/84/78/77/624847877.db2.gz MFSBXHDSERNJOC-ZIAGYGMSSA-N 0 3 310.401 2.087 20 30 DEEDHN C[C@]1(C2CC2)COCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000934478966 624889924 /nfs/dbraw/zinc/88/99/24/624889924.db2.gz WXGGMHWYGDGCJJ-GOSISDBHSA-N 0 3 313.401 2.388 20 30 DEEDHN C=CCOCCN[C@](C)(CO)c1cccc(Br)c1 ZINC000934496326 624894009 /nfs/dbraw/zinc/89/40/09/624894009.db2.gz VJVMPSAAZRTQTF-CQSZACIVSA-N 0 3 314.223 2.449 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ncccc2OC(C)C)C1 ZINC001027665529 634412651 /nfs/dbraw/zinc/41/26/51/634412651.db2.gz XQDRWFKJFVKJEI-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(CC1CCCCC1)CCO2 ZINC000972297059 624918656 /nfs/dbraw/zinc/91/86/56/624918656.db2.gz FSBKLPHJPCONGA-YJBOKZPZSA-N 0 3 319.449 2.030 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001027671115 634423483 /nfs/dbraw/zinc/42/34/83/634423483.db2.gz DPKXADXSCWHSMX-IRXDYDNUSA-N 0 3 314.429 2.318 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)[C@@H]2C1 ZINC000978811004 634426715 /nfs/dbraw/zinc/42/67/15/634426715.db2.gz ZPSFRIWHLSNMKG-LJDSDSDDSA-N 0 3 322.452 2.334 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC[C@H](C)F)nc1 ZINC001024764112 625045278 /nfs/dbraw/zinc/04/52/78/625045278.db2.gz MWNWLZIOZSFWFF-HOCLYGCPSA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001024767389 625047689 /nfs/dbraw/zinc/04/76/89/625047689.db2.gz AOKVMWFFUUBVDW-CYBMUJFWSA-N 0 3 305.809 2.343 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000947517039 625068575 /nfs/dbraw/zinc/06/85/75/625068575.db2.gz ZPBUPYNGKNZGSD-RDJZCZTQSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnccc2C(F)(F)F)C1 ZINC000972426799 625070590 /nfs/dbraw/zinc/07/05/90/625070590.db2.gz PPYZWDBQKBTBFA-LLVKDONJSA-N 0 3 313.323 2.433 20 30 DEEDHN C=CC[C@@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccncc1 ZINC000893040467 625072263 /nfs/dbraw/zinc/07/22/63/625072263.db2.gz GUKOVUJWBNWRTP-JKSUJKDBSA-N 0 3 302.422 2.434 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cn(CC)nc2C(C)C)C1 ZINC000972444800 625086485 /nfs/dbraw/zinc/08/64/85/625086485.db2.gz GLURHMUSZMSPTH-CQSZACIVSA-N 0 3 304.438 2.359 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)nc2C)C[C@H]1C ZINC000947529857 625120921 /nfs/dbraw/zinc/12/09/21/625120921.db2.gz WGQAXHWVPDSMRD-MLGOLLRUSA-N 0 3 314.433 2.008 20 30 DEEDHN Cc1nc(C)c(CC(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000892550289 625141191 /nfs/dbraw/zinc/14/11/91/625141191.db2.gz FDCWVCHWRJTZNK-NSHDSACASA-N 0 3 314.370 2.045 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892550278 625141344 /nfs/dbraw/zinc/14/13/44/625141344.db2.gz DUCOTDKSEHUYBA-QWHCGFSZSA-N 0 3 313.357 2.078 20 30 DEEDHN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026127532 625144795 /nfs/dbraw/zinc/14/47/95/625144795.db2.gz CWJZAMDLEAUNQT-ZWJWXYIHSA-N 0 3 323.440 2.397 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001023083703 625151666 /nfs/dbraw/zinc/15/16/66/625151666.db2.gz VQQMSMVUQMGUSX-PHIMTYICSA-N 0 3 312.211 2.082 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001025037916 625155773 /nfs/dbraw/zinc/15/57/73/625155773.db2.gz OMSGLTLSNWMVEB-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001025040783 625157505 /nfs/dbraw/zinc/15/75/05/625157505.db2.gz LRXPAHIOLNAYNL-TZMCWYRMSA-N 0 3 319.453 2.357 20 30 DEEDHN C[C@H](CC(C)(C)C#N)NCc1ccc2c(c1)CCS2(=O)=O ZINC000925515934 625161018 /nfs/dbraw/zinc/16/10/18/625161018.db2.gz QGMGILWPWGRQHO-GFCCVEGCSA-N 0 3 306.431 2.434 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@@H]2CN(C(=O)C(F)F)C[C@@H]12 ZINC001026165943 625162367 /nfs/dbraw/zinc/16/23/67/625162367.db2.gz RHHWVTRFEYVAAN-RBSFLKMASA-N 0 3 319.355 2.150 20 30 DEEDHN C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]12 ZINC001026196001 625175864 /nfs/dbraw/zinc/17/58/64/625175864.db2.gz BRSFFNQCUPVNGO-VNQPRFMTSA-N 0 3 300.402 2.409 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncccc2OCC)C1 ZINC001023181335 625176598 /nfs/dbraw/zinc/17/65/98/625176598.db2.gz CNEYTJCAQLEODM-TXEJJXNPSA-N 0 3 309.797 2.083 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001027685499 634441893 /nfs/dbraw/zinc/44/18/93/634441893.db2.gz NJYIDXGCAPPKGV-HNNXBMFYSA-N 0 3 316.449 2.116 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnn(C3CCC3)c2)C1 ZINC001023365866 625240471 /nfs/dbraw/zinc/24/04/71/625240471.db2.gz KMSFCGFQDCDHPI-OAHLLOKOSA-N 0 3 314.433 2.073 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001007457425 625249280 /nfs/dbraw/zinc/24/92/80/625249280.db2.gz NHXKHZVXPGOFRA-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001023451171 625274741 /nfs/dbraw/zinc/27/47/41/625274741.db2.gz GJDXTCSACGONCI-HNNXBMFYSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C(C)C)oc3C)[C@@H]2C1 ZINC000978898957 634447386 /nfs/dbraw/zinc/44/73/86/634447386.db2.gz BTHBGAXXVMRIRJ-PHZGNYQRSA-N 0 3 300.402 2.252 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024361841 625721127 /nfs/dbraw/zinc/72/11/27/625721127.db2.gz AAWWKTPDGKXMKV-ZDUSSCGKSA-N 0 3 310.829 2.363 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC001025726698 625751576 /nfs/dbraw/zinc/75/15/76/625751576.db2.gz BBFFGJDYSYEGID-KPFGOTRDSA-N 0 3 321.424 2.151 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001024483105 625807521 /nfs/dbraw/zinc/80/75/21/625807521.db2.gz NNXKHKXOJIELAV-LBPRGKRZSA-N 0 3 322.840 2.233 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001024488950 625812780 /nfs/dbraw/zinc/81/27/80/625812780.db2.gz YKLOOXSLLDWNBX-HNNXBMFYSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001024501386 625823328 /nfs/dbraw/zinc/82/33/28/625823328.db2.gz FLNQTEGSYZJGHS-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001024515566 625832044 /nfs/dbraw/zinc/83/20/44/625832044.db2.gz VOUYMDVHYQZPAA-JKSUJKDBSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001019976658 625856899 /nfs/dbraw/zinc/85/68/99/625856899.db2.gz RNAOFINRYCXFKE-JHJVBQTASA-N 0 3 313.239 2.488 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C[C@@H]1C ZINC000947304612 625882263 /nfs/dbraw/zinc/88/22/63/625882263.db2.gz IGDZOEPLFBWLMW-LSDHHAIUSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001024571960 625896070 /nfs/dbraw/zinc/89/60/70/625896070.db2.gz NAZVMXALCXFHKN-CQSZACIVSA-N 0 3 311.385 2.435 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001024573356 625897129 /nfs/dbraw/zinc/89/71/29/625897129.db2.gz JWSFFFLJPMZJNK-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN N#CC(C(=O)COC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498284 625902292 /nfs/dbraw/zinc/90/22/92/625902292.db2.gz HQNQYKYHTHIAIW-JTQLQIEISA-N 0 3 310.712 2.305 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001024618598 625937189 /nfs/dbraw/zinc/93/71/89/625937189.db2.gz WMGMOFQYTDHKBA-MRXNPFEDSA-N 0 3 301.434 2.424 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000999036730 634464713 /nfs/dbraw/zinc/46/47/13/634464713.db2.gz FIEGADSGKLFKOP-UHFFFAOYSA-N 0 3 322.840 2.234 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001027704029 634465887 /nfs/dbraw/zinc/46/58/87/634465887.db2.gz JJQCLTPEBCZAON-AWEZNQCLSA-N 0 3 313.376 2.477 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000979047556 634490509 /nfs/dbraw/zinc/49/05/09/634490509.db2.gz RLJNVMYOYVHPQD-LDLYASANSA-N 0 3 308.425 2.106 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3coc4ccccc34)[C@@H]2C1 ZINC000979111553 634504121 /nfs/dbraw/zinc/50/41/21/634504121.db2.gz FGGDOJQOKUTVAH-PHZGNYQRSA-N 0 3 308.381 2.364 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000999198993 634514434 /nfs/dbraw/zinc/51/44/34/634514434.db2.gz VLYBDJPJOAJFBK-UHFFFAOYSA-N 0 3 323.824 2.349 20 30 DEEDHN C=C1CCC(C(=O)N(C)C2CC(NCc3ccnn3C)C2)CC1 ZINC000999344342 634567471 /nfs/dbraw/zinc/56/74/71/634567471.db2.gz PLTIVZWRTAMGNK-UHFFFAOYSA-N 0 3 316.449 2.246 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(N[C@@H](C)c3n[nH]c(C)n3)C2)C1 ZINC000999375387 634572252 /nfs/dbraw/zinc/57/22/52/634572252.db2.gz SMDASMHGIJDSAG-XGNXJENSSA-N 0 3 317.437 2.109 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCc3cnc(C)nc3)C2)C1 ZINC000999371722 634578364 /nfs/dbraw/zinc/57/83/64/634578364.db2.gz DAKHSOIVBHLUFR-UHFFFAOYSA-N 0 3 314.433 2.220 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccon3)C[C@@H]2C1 ZINC000979538702 634674841 /nfs/dbraw/zinc/67/48/41/634674841.db2.gz MBWCLJLEINKLRN-YNEHKIRRSA-N 0 3 309.797 2.257 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2ccc(OC)nc2)C1 ZINC000999901825 634699312 /nfs/dbraw/zinc/69/93/12/634699312.db2.gz VZHQUEDDMPXBNQ-HNNXBMFYSA-N 0 3 317.433 2.383 20 30 DEEDHN CC[C@H](F)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000999911466 634704278 /nfs/dbraw/zinc/70/42/78/634704278.db2.gz TYDIRJYRSXQQAP-FZMZJTMJSA-N 0 3 309.410 2.448 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cc(C)sn3)CC2)CC1 ZINC001000129992 634760004 /nfs/dbraw/zinc/76/00/04/634760004.db2.gz HQUVLGVXNDMVKG-UHFFFAOYSA-N 0 3 317.458 2.449 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCC[C@@H]3OC)CC2)CC1 ZINC001000198446 634784884 /nfs/dbraw/zinc/78/48/84/634784884.db2.gz AAKVITYVSNLWHB-IRXDYDNUSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCOc1ccccc1C ZINC000836285278 650075220 /nfs/dbraw/zinc/07/52/20/650075220.db2.gz VMABYDZZZZLVLD-UHFFFAOYSA-N 0 3 317.433 2.018 20 30 DEEDHN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001024692570 632924143 /nfs/dbraw/zinc/92/41/43/632924143.db2.gz OYFHFPNRIZETPJ-QZTJIDSGSA-N 0 3 319.493 2.243 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001024709263 632939178 /nfs/dbraw/zinc/93/91/78/632939178.db2.gz FEXACTPMMSUDDX-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc2nccnc21 ZINC001024728396 632953781 /nfs/dbraw/zinc/95/37/81/632953781.db2.gz CQUPHJADVBBIDJ-HNNXBMFYSA-N 0 3 322.412 2.237 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001026835448 633168060 /nfs/dbraw/zinc/16/80/60/633168060.db2.gz XRANWSQEGOAKOM-AWEZNQCLSA-N 0 3 318.367 2.316 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001026864405 633227426 /nfs/dbraw/zinc/22/74/26/633227426.db2.gz GIZUVOMALBOFQR-ZDUSSCGKSA-N 0 3 324.856 2.137 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCCF)CC1(C)C ZINC000974681702 633231137 /nfs/dbraw/zinc/23/11/37/633231137.db2.gz KQVQGLLTLWAPPS-OAHLLOKOSA-N 0 3 307.413 2.474 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)sc2C)C(C)(C)C1 ZINC000974714541 633264037 /nfs/dbraw/zinc/26/40/37/633264037.db2.gz ANCZCPPOCSRALF-CYBMUJFWSA-N 0 3 305.447 2.223 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccn3nccc23)C(C)(C)C1 ZINC000974765683 633291493 /nfs/dbraw/zinc/29/14/93/633291493.db2.gz IOJRUJFRUKQNJL-MRXNPFEDSA-N 0 3 312.417 2.351 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(COC)o2)C(C)(C)C1 ZINC000974788485 633305033 /nfs/dbraw/zinc/30/50/33/633305033.db2.gz ABWHAVZJUGWVKJ-OAHLLOKOSA-N 0 3 306.406 2.442 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN[C@H](C)c2cnccn2)C1 ZINC001026992833 633338951 /nfs/dbraw/zinc/33/89/51/633338951.db2.gz TYDRVBVSCFQTMT-KGLIPLIRSA-N 0 3 302.422 2.188 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001026992648 633339048 /nfs/dbraw/zinc/33/90/48/633339048.db2.gz QYXTWKBBFHXVIO-CQSZACIVSA-N 0 3 304.438 2.053 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001027041475 633367532 /nfs/dbraw/zinc/36/75/32/633367532.db2.gz WIZNISIXEYPEMM-MAUKXSAKSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](CNCc3cnns3)C2)CC1 ZINC001027041183 633367802 /nfs/dbraw/zinc/36/78/02/633367802.db2.gz QXDNVWIIANFARS-CYBMUJFWSA-N 0 3 320.462 2.223 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3ccn(CC)n3)C2)C1 ZINC001027051286 633378176 /nfs/dbraw/zinc/37/81/76/633378176.db2.gz WJEDUOWJOBDBIL-HNNXBMFYSA-N 0 3 316.449 2.197 20 30 DEEDHN CC(C)Oc1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000124762453 633415196 /nfs/dbraw/zinc/41/51/96/633415196.db2.gz JZUBUWCZUJYITH-HNNXBMFYSA-N 0 3 300.358 2.004 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc(N(C)C)c2)C(C)(C)C1 ZINC000975102980 633419671 /nfs/dbraw/zinc/41/96/71/633419671.db2.gz ROBSWSUWCJLCRW-HNNXBMFYSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C(C)(C)C1 ZINC000975108218 633422354 /nfs/dbraw/zinc/42/23/54/633422354.db2.gz QFXHTDDARLGVEB-HNNXBMFYSA-N 0 3 302.422 2.303 20 30 DEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC(=O)N(C4CC4)C3)nc21 ZINC000735791834 633535066 /nfs/dbraw/zinc/53/50/66/633535066.db2.gz CFGWLJLJGSYOBN-DGCLKSJQSA-N 0 3 322.368 2.059 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC001027317296 633643479 /nfs/dbraw/zinc/64/34/79/633643479.db2.gz SROBQZYFXFLPAH-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000997177307 633665200 /nfs/dbraw/zinc/66/52/00/633665200.db2.gz PAHJZOMMLJSUGD-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccn(C(C)C)n2)CC1 ZINC000997330415 633701897 /nfs/dbraw/zinc/70/18/97/633701897.db2.gz GSOKHDPGKFGNCT-OAHLLOKOSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000997316699 633706992 /nfs/dbraw/zinc/70/69/92/633706992.db2.gz UCBVRLZRGIOCFV-FHLIZLRMSA-N 0 3 311.429 2.035 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2F)C1 ZINC001027422707 633761038 /nfs/dbraw/zinc/76/10/38/633761038.db2.gz MHQJRHVCXIRZQZ-CABCVRRESA-N 0 3 318.392 2.149 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001009645912 633782683 /nfs/dbraw/zinc/78/26/83/633782683.db2.gz ZHWXOUUKBYZNHZ-OAHLLOKOSA-N 0 3 317.408 2.109 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1 ZINC001027449675 633802231 /nfs/dbraw/zinc/80/22/31/633802231.db2.gz CTPLANHYEAJWQF-CQSZACIVSA-N 0 3 303.406 2.276 20 30 DEEDHN CC[C@H](F)CN1CCC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000997553084 633867905 /nfs/dbraw/zinc/86/79/05/633867905.db2.gz UTGMYCSHGXFTEZ-WFASDCNBSA-N 0 3 320.412 2.465 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc3cnccc3c2)C1 ZINC001027488871 633877669 /nfs/dbraw/zinc/87/76/69/633877669.db2.gz GNXCSFAQRXZEPL-LJQANCHMSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccnc2C(F)F)CC1 ZINC000997665340 633919518 /nfs/dbraw/zinc/91/95/18/633919518.db2.gz DNHPEPGQRMBIBW-LBPRGKRZSA-N 0 3 321.371 2.483 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001027512750 633948336 /nfs/dbraw/zinc/94/83/36/633948336.db2.gz WSVDSZULMCHEIO-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ocnc2C2CC2)CC1 ZINC000997748302 633961287 /nfs/dbraw/zinc/96/12/87/633961287.db2.gz KCNIDPAISXORPW-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3nccn3c2)C(C)(C)C1 ZINC000977450671 633991795 /nfs/dbraw/zinc/99/17/95/633991795.db2.gz NYTUWPKGVFUHIB-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnoc2C2CC2)CC1 ZINC000997816683 633999114 /nfs/dbraw/zinc/99/91/14/633999114.db2.gz LTGHBFYLPVQFGB-LBPRGKRZSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc(C3CC3)s2)CC1 ZINC000997837887 634005974 /nfs/dbraw/zinc/00/59/74/634005974.db2.gz DQDRWHIMKCVKMI-LBPRGKRZSA-N 0 3 317.458 2.484 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC[C@H](C)F)CC2(C)C)nc1 ZINC000977519373 634015022 /nfs/dbraw/zinc/01/50/22/634015022.db2.gz YGUHDYAUKOBNNK-XJKSGUPXSA-N 0 3 317.408 2.251 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977510291 634020250 /nfs/dbraw/zinc/02/02/50/634020250.db2.gz CLCCXKLLCKFFEJ-DOTOQJQBSA-N 0 3 313.445 2.199 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)n(C)n2)CC1 ZINC000997940225 634070313 /nfs/dbraw/zinc/07/03/13/634070313.db2.gz MCYZVAWTMPUDKK-MRXNPFEDSA-N 0 3 316.449 2.068 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cncs2)CC1 ZINC000997951896 634073208 /nfs/dbraw/zinc/07/32/08/634073208.db2.gz AEUPPDBPCCEVLU-AWEZNQCLSA-N 0 3 305.447 2.483 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnc(C)s2)CC1 ZINC000997949801 634073826 /nfs/dbraw/zinc/07/38/26/634073826.db2.gz OYVUJWOQKBTLNE-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C(C)(C)C1 ZINC000977651113 634082933 /nfs/dbraw/zinc/08/29/33/634082933.db2.gz FAFVWJVOBZAEHU-NEXGVSGLSA-N 0 3 300.446 2.128 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCCOCC2)CC1 ZINC000997990775 634098510 /nfs/dbraw/zinc/09/85/10/634098510.db2.gz KIOLGKXJNFDVLB-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2CC(OC)C2)CC1 ZINC000998036497 634117964 /nfs/dbraw/zinc/11/79/64/634117964.db2.gz JBRQHFQWRVYUIH-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnc3ccccn32)CC1 ZINC000998054683 634124628 /nfs/dbraw/zinc/12/46/28/634124628.db2.gz YERMLMBAMBBVJK-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2F)C[C@H]1C ZINC000947329257 634140951 /nfs/dbraw/zinc/14/09/51/634140951.db2.gz WESAJIPVQSEJSL-CZUORRHYSA-N 0 3 320.383 2.500 20 30 DEEDHN C#Cc1cncc(C(=O)N(CC)[C@H]2CCCN(CC#CC)CC2)c1 ZINC000998115485 634146195 /nfs/dbraw/zinc/14/61/95/634146195.db2.gz KNRBCFNOXPCWHL-IBGZPJMESA-N 0 3 323.440 2.403 20 30 DEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2cc(COC)on2)CC1 ZINC000998139099 634151789 /nfs/dbraw/zinc/15/17/89/634151789.db2.gz CMQZYZSMKSJQDA-AWEZNQCLSA-N 0 3 321.421 2.324 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2occ3c2CCC3)CC1 ZINC000948647729 634153877 /nfs/dbraw/zinc/15/38/77/634153877.db2.gz LIVHAAFBIWHHOQ-OAHLLOKOSA-N 0 3 300.402 2.328 20 30 DEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2coc(COC)n2)CC1 ZINC000998168615 634157993 /nfs/dbraw/zinc/15/79/93/634157993.db2.gz DWDDQOJYOCYVNV-CQSZACIVSA-N 0 3 321.421 2.324 20 30 DEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2nn(CC)nc2C)CC1 ZINC000998203534 634166881 /nfs/dbraw/zinc/16/68/81/634166881.db2.gz PGDQZNTWMAVIDA-HNNXBMFYSA-N 0 3 319.453 2.109 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000998231877 634178236 /nfs/dbraw/zinc/17/82/36/634178236.db2.gz LQCTWFAJOBVRQJ-DTWKUNHWSA-N 0 3 318.261 2.494 20 30 DEEDHN CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC000946489619 634182662 /nfs/dbraw/zinc/18/26/62/634182662.db2.gz DBILXQXTDWSAOC-IYBDPMFKSA-N 0 3 312.413 2.200 20 30 DEEDHN CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC000946489619 634182665 /nfs/dbraw/zinc/18/26/65/634182665.db2.gz DBILXQXTDWSAOC-IYBDPMFKSA-N 0 3 312.413 2.200 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cc[nH]c2)CC[C@@H]1C(F)(F)F ZINC000998265012 634192827 /nfs/dbraw/zinc/19/28/27/634192827.db2.gz GEIWKUXIHJTOEH-RYUDHWBXSA-N 0 3 301.312 2.183 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2nccs2)CC[C@@H]1C(F)(F)F ZINC000998318314 634210530 /nfs/dbraw/zinc/21/05/30/634210530.db2.gz YCIAAHYDYONZRB-UWVGGRQHSA-N 0 3 319.352 2.312 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)C(C)(F)F)C1 ZINC000998347090 634226456 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C#CCCN1CCC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@@H]1C ZINC000994155728 647796885 /nfs/dbraw/zinc/79/68/85/647796885.db2.gz FPEODTFDJNFTEZ-BBRMVZONSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3nccn3c2)[C@H]1C ZINC000994221675 647809526 /nfs/dbraw/zinc/80/95/26/647809526.db2.gz RFCJIGQSZOOZRF-GDBMZVCRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(Br)o1 ZINC000820688007 647895366 /nfs/dbraw/zinc/89/53/66/647895366.db2.gz HQEGYRLRRZKYMR-UHFFFAOYSA-N 0 3 313.195 2.035 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2OC)[C@@H]1C ZINC000994290296 647903298 /nfs/dbraw/zinc/90/32/98/647903298.db2.gz UTINQAVVIIXWGL-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC000994303044 647907622 /nfs/dbraw/zinc/90/76/22/647907622.db2.gz WFYDXEXDLDUHDT-RHSMWYFYSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(COC)cc2)[C@H]1C ZINC000994372128 647920256 /nfs/dbraw/zinc/92/02/56/647920256.db2.gz HMUKOAINZJRGPR-QAPCUYQASA-N 0 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CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844359559 651117115 /nfs/dbraw/zinc/11/71/15/651117115.db2.gz BMEJVMYNQHOTFX-RBUKOAKNSA-N 0 3 321.380 2.129 20 30 DEEDHN COCCN1CCN(Cc2ccc(OCC#N)cc2)C(C)(C)C1 ZINC000844432503 651128007 /nfs/dbraw/zinc/12/80/07/651128007.db2.gz VNRZMTJCKPERSE-UHFFFAOYSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000845616231 651261606 /nfs/dbraw/zinc/26/16/06/651261606.db2.gz HWQMGBOZXBVKSF-WFASDCNBSA-N 0 3 307.394 2.103 20 30 DEEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000845639331 651265007 /nfs/dbraw/zinc/26/50/07/651265007.db2.gz PUTKALGHNXTOBY-CQSZACIVSA-N 0 3 316.405 2.138 20 30 DEEDHN C#CCOCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876064 651291307 /nfs/dbraw/zinc/29/13/07/651291307.db2.gz MXNUNKKIZJRTPA-NHYWBVRUSA-N 0 3 309.293 2.115 20 30 DEEDHN N#CCOc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000847255803 651384766 /nfs/dbraw/zinc/38/47/66/651384766.db2.gz 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C#C[C@](C)(CC)NCC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000852098621 652337678 /nfs/dbraw/zinc/33/76/78/652337678.db2.gz RKFQSZLNATYVCZ-LJQANCHMSA-N 0 3 313.445 2.035 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600323 652426602 /nfs/dbraw/zinc/42/66/02/652426602.db2.gz HGNWLCHOTOQVSL-CYBMUJFWSA-N 0 3 302.340 2.133 20 30 DEEDHN C#CCCN(CCOC)C[C@@H](O)COc1ccc(C)cc1C ZINC000852752510 652450391 /nfs/dbraw/zinc/45/03/91/652450391.db2.gz AYMCFCYWENOWOK-QGZVFWFLSA-N 0 3 305.418 2.015 20 30 DEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)CC1=CCCOC1 ZINC000853562689 652569090 /nfs/dbraw/zinc/56/90/90/652569090.db2.gz URQJZSDMFZHXSV-UHFFFAOYSA-N 0 3 323.400 2.361 20 30 DEEDHN C=CCC1(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000853683884 652589184 /nfs/dbraw/zinc/58/91/84/652589184.db2.gz XRCZOQHBUFTDOU-GJZGRUSLSA-N 0 3 307.438 2.038 20 30 DEEDHN C=C(C)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854105360 652641401 /nfs/dbraw/zinc/64/14/01/652641401.db2.gz WSHOWLWBSDBCMH-UHFFFAOYSA-N 0 3 302.422 2.069 20 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C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1C ZINC001032764005 689251973 /nfs/dbraw/zinc/25/19/73/689251973.db2.gz AZQRMQSJFPHFAN-HOTGVXAUSA-N 0 3 300.402 2.235 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032815759 689270158 /nfs/dbraw/zinc/27/01/58/689270158.db2.gz OFZAZGRAUXUFLN-ZOBUZTSGSA-N 0 3 312.413 2.414 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(C)nc2C2CC2)C1 ZINC001033114467 689392972 /nfs/dbraw/zinc/39/29/72/689392972.db2.gz FGBGCFRAEWOSAG-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(OC(C)C)nc2)C1 ZINC001033130105 689399352 /nfs/dbraw/zinc/39/93/52/689399352.db2.gz SGPDXKFCCHYJEI-MRXNPFEDSA-N 0 3 315.417 2.038 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001033178797 689413945 /nfs/dbraw/zinc/41/39/45/689413945.db2.gz ZDXSAAKUUNCHTL-KRWDZBQOSA-N 0 3 314.429 2.273 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc3cnccc32)C1 ZINC001033194894 689420911 /nfs/dbraw/zinc/42/09/11/689420911.db2.gz MJOUWVVUKLNBLG-KRWDZBQOSA-N 0 3 309.413 2.496 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001033357400 689474964 /nfs/dbraw/zinc/47/49/64/689474964.db2.gz FLIHUDPHFJMBBQ-HNNXBMFYSA-N 0 3 312.417 2.214 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ncsc2C2CC2)C1 ZINC001033410377 689491351 /nfs/dbraw/zinc/49/13/51/689491351.db2.gz VDVZRYZRMCYXKH-CYBMUJFWSA-N 0 3 303.431 2.190 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001033532353 689533412 /nfs/dbraw/zinc/53/34/12/689533412.db2.gz CKXHCAKGZBQCFF-OAHLLOKOSA-N 0 3 313.873 2.004 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001033605030 689557406 /nfs/dbraw/zinc/55/74/06/689557406.db2.gz VHIBXHPANOAFNR-SJLPKXTDSA-N 0 3 314.429 2.409 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(OCC)cc2)C1 ZINC001033631078 689566586 /nfs/dbraw/zinc/56/65/86/689566586.db2.gz JWMUWFNJQGPHRK-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000875106446 689571986 /nfs/dbraw/zinc/57/19/86/689571986.db2.gz STOPSTYNKROTGF-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001033672945 689580253 /nfs/dbraw/zinc/58/02/53/689580253.db2.gz UERAYXBCRPLKLC-HOCLYGCPSA-N 0 3 318.392 2.238 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cn2ccc3ccccc32)C1 ZINC001033677017 689581336 /nfs/dbraw/zinc/58/13/36/689581336.db2.gz WXJSJCFLFKVUJQ-KRWDZBQOSA-N 0 3 309.413 2.197 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2COc3ccccc32)C1 ZINC001033709836 689590461 /nfs/dbraw/zinc/59/04/61/689590461.db2.gz KJRPTYSCOUXUTG-ZBFHGGJFSA-N 0 3 300.402 2.271 20 30 DEEDHN CCN(C(C)=O)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001033716555 689593551 /nfs/dbraw/zinc/59/35/51/689593551.db2.gz WUWVZQVRXUWSAU-MRXNPFEDSA-N 0 3 301.390 2.032 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001033876393 689647326 /nfs/dbraw/zinc/64/73/26/689647326.db2.gz ATYWJYKUTXGYHU-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001033882432 689648793 /nfs/dbraw/zinc/64/87/93/689648793.db2.gz YYNNSPLMIZYHPQ-MRXNPFEDSA-N 0 3 324.428 2.133 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001033883515 689650204 /nfs/dbraw/zinc/65/02/04/689650204.db2.gz ZFEOVPLAZUTEOF-INIZCTEOSA-N 0 3 316.449 2.198 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001033966581 689676104 /nfs/dbraw/zinc/67/61/04/689676104.db2.gz HDCAGDXBNRFUOU-KRWDZBQOSA-N 0 3 312.413 2.181 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnnc3ccccc32)C1 ZINC001033975620 689679974 /nfs/dbraw/zinc/67/99/74/689679974.db2.gz OCYLUFQNAZODPT-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnn3c2CCCC3)C1 ZINC001034019627 689695409 /nfs/dbraw/zinc/69/54/09/689695409.db2.gz VDSNJOFSOSPROA-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001034059181 689710180 /nfs/dbraw/zinc/71/01/80/689710180.db2.gz BBQPQMMJEYWILZ-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC001034059178 689710189 /nfs/dbraw/zinc/71/01/89/689710189.db2.gz BBQPQMMJEYWILZ-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001034202244 689760331 /nfs/dbraw/zinc/76/03/31/689760331.db2.gz RSYQSHHCSQDTPC-OAHLLOKOSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034266708 689788358 /nfs/dbraw/zinc/78/83/58/689788358.db2.gz PUVYJOXBVABMPP-CQSZACIVSA-N 0 3 305.447 2.368 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001034306416 689803796 /nfs/dbraw/zinc/80/37/96/689803796.db2.gz DYOMEJVXMVQAHG-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000876569701 689860783 /nfs/dbraw/zinc/86/07/83/689860783.db2.gz WKXZVGDMHHCHJS-ZDUSSCGKSA-N 0 3 300.761 2.133 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000876599419 689871408 /nfs/dbraw/zinc/87/14/08/689871408.db2.gz ABISJGLRBXWSEU-BXKDBHETSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000876599421 689871784 /nfs/dbraw/zinc/87/17/84/689871784.db2.gz ABISJGLRBXWSEU-JOYOIKCWSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NCCC)cc1 ZINC000876606681 689873469 /nfs/dbraw/zinc/87/34/69/689873469.db2.gz IYRZSTCUTOQSJU-CYBMUJFWSA-N 0 3 309.797 2.235 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001034500452 689874859 /nfs/dbraw/zinc/87/48/59/689874859.db2.gz BJAKFIMFTUQOHT-KRWDZBQOSA-N 0 3 315.417 2.415 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1ccc(OC)cc1 ZINC000876616174 689877415 /nfs/dbraw/zinc/87/74/15/689877415.db2.gz UFKMWPHAQBDRJU-CQSZACIVSA-N 0 3 312.797 2.050 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC000876622688 689878963 /nfs/dbraw/zinc/87/89/63/689878963.db2.gz KINUVRAPMUGEMB-ZDUSSCGKSA-N 0 3 322.796 2.091 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000876647963 689888490 /nfs/dbraw/zinc/88/84/90/689888490.db2.gz TWJANKIOBBSDAP-GFCCVEGCSA-N 0 3 307.781 2.370 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001034533896 689888667 /nfs/dbraw/zinc/88/86/67/689888667.db2.gz FAGZGWIRNKVVNB-AWEZNQCLSA-N 0 3 324.856 2.310 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000876675941 689898191 /nfs/dbraw/zinc/89/81/91/689898191.db2.gz PVCMDHISVCRCNP-OCCSQVGLSA-N 0 3 308.809 2.481 20 30 DEEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001034574734 689900222 /nfs/dbraw/zinc/90/02/22/689900222.db2.gz MTINZVFWRQKKAV-HAQNSBGRSA-N 0 3 301.228 2.322 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000876695337 689906017 /nfs/dbraw/zinc/90/60/17/689906017.db2.gz XBOQHRSVVZJQIF-PWSUYJOCSA-N 0 3 320.780 2.384 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000876909174 689971207 /nfs/dbraw/zinc/97/12/07/689971207.db2.gz XHKVOZULBZYJHR-LBPRGKRZSA-N 0 3 315.200 2.361 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000876909173 689971215 /nfs/dbraw/zinc/97/12/15/689971215.db2.gz XHKVOZULBZYJHR-GFCCVEGCSA-N 0 3 315.200 2.361 20 30 DEEDHN COc1ccc(F)cc1CNC[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC001034879597 689977080 /nfs/dbraw/zinc/97/70/80/689977080.db2.gz GYVXHXVWSNRGRQ-IUODEOHRSA-N 0 3 319.380 2.075 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000876970936 689986333 /nfs/dbraw/zinc/98/63/33/689986333.db2.gz HETPCIIATISVEX-MELADBBJSA-N 0 3 300.830 2.264 20 30 DEEDHN CCc1onc(C)c1CNC[C@H]1CCCN1C(=O)C#CC1CC1 ZINC001034935433 689995649 /nfs/dbraw/zinc/99/56/49/689995649.db2.gz RGGMFELUUOFENV-OAHLLOKOSA-N 0 3 315.417 2.039 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001034935767 689995666 /nfs/dbraw/zinc/99/56/66/689995666.db2.gz XNLWFBJAXIWCRK-OAHLLOKOSA-N 0 3 317.820 2.229 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2c(OC)cc(OC)cc21 ZINC000877012289 689997009 /nfs/dbraw/zinc/99/70/09/689997009.db2.gz QTRPUPLAFCOLMR-ZDUSSCGKSA-N 0 3 324.808 2.453 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2CNCc2cccnc2)cc1 ZINC001035006898 690007913 /nfs/dbraw/zinc/00/79/13/690007913.db2.gz PEKWDBRYUSDJQS-LJQANCHMSA-N 0 3 319.408 2.457 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000877202756 690044688 /nfs/dbraw/zinc/04/46/88/690044688.db2.gz GFDRUPJHGYDYGQ-OLZOCXBDSA-N 0 3 300.830 2.312 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000877238817 690053734 /nfs/dbraw/zinc/05/37/34/690053734.db2.gz CTGIGKRZAKJVDJ-KGLIPLIRSA-N 0 3 312.772 2.275 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000877348079 690085125 /nfs/dbraw/zinc/08/51/25/690085125.db2.gz BLPYBTULMYKIBL-HOTGVXAUSA-N 0 3 319.380 2.217 20 30 DEEDHN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)[C@@H]1C ZINC000877466014 690121498 /nfs/dbraw/zinc/12/14/98/690121498.db2.gz DLOBPAOHXHAXKB-IUODEOHRSA-N 0 3 301.390 2.008 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)Cc1ccc(C)o1)CC2 ZINC001035692522 690154071 /nfs/dbraw/zinc/15/40/71/690154071.db2.gz ZGGFGOUOAWTTAM-UHFFFAOYSA-N 0 3 300.402 2.078 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(C#C)cc1)CC2 ZINC001035763998 690170468 /nfs/dbraw/zinc/17/04/68/690170468.db2.gz DYPJOAXVDHIQGR-UHFFFAOYSA-N 0 3 306.409 2.229 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccnc1OC)CC2 ZINC001035782187 690174328 /nfs/dbraw/zinc/17/43/28/690174328.db2.gz IXKURKUJGXRVPK-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C(C)C)no1)CC2 ZINC001035810960 690183206 /nfs/dbraw/zinc/18/32/06/690183206.db2.gz YWPHHTFJARDZGI-UHFFFAOYSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1nc(CC)oc1C)CC2 ZINC001035817357 690184421 /nfs/dbraw/zinc/18/44/21/690184421.db2.gz LWRMHTWVZXRPRP-UHFFFAOYSA-N 0 3 315.417 2.107 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(CC)nn1C)CC2 ZINC001035823763 690185877 /nfs/dbraw/zinc/18/58/77/690185877.db2.gz LRFOHPRTQHOBOL-UHFFFAOYSA-N 0 3 316.449 2.097 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cc(F)ccc1C#N 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CGNYQQAJDWAPAB-UHFFFAOYSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2ccnc(OCC)c2)CC1 ZINC001045552591 691996325 /nfs/dbraw/zinc/99/63/25/691996325.db2.gz YGLOVQUXJXGEHS-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ccc(C)nc1)C2 ZINC001045916167 692049209 /nfs/dbraw/zinc/04/92/09/692049209.db2.gz VXJFRVXZYOHSQY-IBGZPJMESA-N 0 3 311.429 2.341 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)CC2(C#N)CCC2)CC[C@H](C(F)(F)F)O1 ZINC000886313905 692053064 /nfs/dbraw/zinc/05/30/64/692053064.db2.gz GVXCPTGOBPJUMO-JHJVBQTASA-N 0 3 320.355 2.473 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCCCO1)C2 ZINC001045927805 692054071 /nfs/dbraw/zinc/05/40/71/692054071.db2.gz MDNWMOCARQFRQZ-PKOBYXMFSA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1(O)CCC1)C2 ZINC001045941267 692059404 /nfs/dbraw/zinc/05/94/04/692059404.db2.gz HPLPBPYIXJCORT-SFHVURJKSA-N 0 3 318.461 2.019 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCCOC1)C2 ZINC001045985306 692069222 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C#CCN(C(=O)/C=C/c1ccnc(Cl)c1)C1CCN(C)CC1 ZINC000886579860 692116871 /nfs/dbraw/zinc/11/68/71/692116871.db2.gz LGGYVGQAKHAAQD-SNAWJCMRSA-N 0 3 317.820 2.304 20 30 DEEDHN C#CCN(C(=O)[C@H](C)c1cccc(F)c1)C1CCN(C)CC1 ZINC000886581137 692117438 /nfs/dbraw/zinc/11/74/38/692117438.db2.gz KSVAHBNRXDCDLN-CQSZACIVSA-N 0 3 302.393 2.485 20 30 DEEDHN C#CCN(C(=O)c1cc2nc(C)ccc2o1)C1CCN(C)CC1 ZINC000886582483 692117968 /nfs/dbraw/zinc/11/79/68/692117968.db2.gz WPANZPZDBOGDDG-UHFFFAOYSA-N 0 3 311.385 2.306 20 30 DEEDHN C#CCN(C(=O)CNc1c(C)cccc1C)C1CCN(C)CC1 ZINC000886581503 692118254 /nfs/dbraw/zinc/11/82/54/692118254.db2.gz ZNKNKVQGXUPURI-UHFFFAOYSA-N 0 3 313.445 2.271 20 30 DEEDHN C#CCN(C(=O)CCc1ccc(F)cc1)C1CCN(C)CC1 ZINC000886587471 692119446 /nfs/dbraw/zinc/11/94/46/692119446.db2.gz XSIAOVFPYFITSE-UHFFFAOYSA-N 0 3 302.393 2.314 20 30 DEEDHN C#CCN(C(=O)COc1cc(C)cc(C)c1)C1CCN(C)CC1 ZINC000886589451 692120132 /nfs/dbraw/zinc/12/01/32/692120132.db2.gz VVJAZIHIZTUKHF-UHFFFAOYSA-N 0 3 314.429 2.238 20 30 DEEDHN C#CCN(C(=O)[C@H](C)Oc1ccccc1)C1CCN(C)CC1 ZINC000886589598 692120359 /nfs/dbraw/zinc/12/03/59/692120359.db2.gz ZWQGTAKYMVHGBP-HNNXBMFYSA-N 0 3 300.402 2.010 20 30 DEEDHN C#CCN(C(=O)CCCOc1ccccc1)C1CCN(C)CC1 ZINC000886588918 692120408 /nfs/dbraw/zinc/12/04/08/692120408.db2.gz CUKDKXTYZWHDSO-UHFFFAOYSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001046373719 692169833 /nfs/dbraw/zinc/16/98/33/692169833.db2.gz CGTLKYGYVHJORJ-QGZVFWFLSA-N 0 3 301.390 2.045 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001046391482 692175226 /nfs/dbraw/zinc/17/52/26/692175226.db2.gz PGIRMWWLLLPORP-QGZVFWFLSA-N 0 3 304.365 2.052 20 30 DEEDHN CC(C)OC(=O)C1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886732821 692177514 /nfs/dbraw/zinc/17/75/14/692177514.db2.gz RQUZEGRVSBEOMP-HNNXBMFYSA-N 0 3 308.422 2.095 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001046435712 692186527 /nfs/dbraw/zinc/18/65/27/692186527.db2.gz 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/nfs/dbraw/zinc/28/84/60/692288460.db2.gz LJRLLSIAXAEJMX-KRWDZBQOSA-N 0 3 302.422 2.063 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(Cl)cn2CC)C1 ZINC001046841524 692314770 /nfs/dbraw/zinc/31/47/70/692314770.db2.gz ODUXSFOBRPFGHT-INIZCTEOSA-N 0 3 307.825 2.379 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001046870577 692322034 /nfs/dbraw/zinc/32/20/34/692322034.db2.gz PMJDABXXIMUSKR-LJQANCHMSA-N 0 3 313.445 2.360 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2cccnc2)C1 ZINC001046908229 692328178 /nfs/dbraw/zinc/32/81/78/692328178.db2.gz GRMJUWHSASUKIE-AWEZNQCLSA-N 0 3 309.360 2.345 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2ccns2)C1 ZINC001046943200 692340400 /nfs/dbraw/zinc/34/04/00/692340400.db2.gz QOHGEJCFKPQDKO-LLVKDONJSA-N 0 3 315.389 2.406 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(CC)CCC2(F)F)cc1 ZINC001046962028 692344024 /nfs/dbraw/zinc/34/40/24/692344024.db2.gz XKIOWNJYGVLIAZ-OAHLLOKOSA-N 0 3 306.356 2.375 20 30 DEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)c3cocn3)C2)CC1 ZINC001047227457 692398024 /nfs/dbraw/zinc/39/80/24/692398024.db2.gz CKSNSDMHQKRTKS-MRXNPFEDSA-N 0 3 315.417 2.262 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)CC1 ZINC001047238447 692400729 /nfs/dbraw/zinc/40/07/29/692400729.db2.gz ZQVANFRUGYALNM-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001047554225 692436286 /nfs/dbraw/zinc/43/62/86/692436286.db2.gz PNCBZZCCKFRZKL-IOSXPMGOSA-N 0 3 320.477 2.282 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001047637007 692447802 /nfs/dbraw/zinc/44/78/02/692447802.db2.gz UHHVFSCKFWXQGA-NJAFHUGGSA-N 0 3 316.445 2.178 20 30 DEEDHN C[C@@H](NCc1ccccc1C#N)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001047846159 692499251 /nfs/dbraw/zinc/49/92/51/692499251.db2.gz COUFYNIWYVOGQZ-BEFAXECRSA-N 0 3 321.424 2.298 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2cnns2)C1 ZINC001047932637 692517805 /nfs/dbraw/zinc/51/78/05/692517805.db2.gz QMUUNOUFSPZMFL-RYUDHWBXSA-N 0 3 308.451 2.077 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1CNCc1ccccc1C#N ZINC001048144055 692564254 /nfs/dbraw/zinc/56/42/54/692564254.db2.gz NHGIQRRDMKJCDP-PBHICJAKSA-N 0 3 322.412 2.384 20 30 DEEDHN Cc1cnc(CNC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)s1 ZINC001048253253 692583706 /nfs/dbraw/zinc/58/37/06/692583706.db2.gz OJMZWJFMYAKUDB-SWLSCSKDSA-N 0 3 317.458 2.049 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001048774246 692697858 /nfs/dbraw/zinc/69/78/58/692697858.db2.gz ACBMMXOCRFGANW-KSZLIROESA-N 0 3 323.440 2.495 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC4(CC4)C3)C[C@@H]2C1 ZINC001048818457 692703089 /nfs/dbraw/zinc/70/30/89/692703089.db2.gz LQQFNGWYDKAZKM-YESZJQIVSA-N 0 3 300.446 2.370 20 30 DEEDHN Cc1c(C(=O)N(CCN(C)C)C2CCCC2)cnn1CCC#N ZINC000889411031 692706942 /nfs/dbraw/zinc/70/69/42/692706942.db2.gz KYDQQEUNAFJENJ-UHFFFAOYSA-N 0 3 317.437 2.052 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCCC3(F)F)C[C@@H]2C1 ZINC001048959020 692730543 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/nfs/dbraw/zinc/70/62/58/1152706258.db2.gz ORVMBNCMMQQLTJ-HUUCEWRRSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1Cc2cccnc2C1 ZINC001402854125 1162500350 /nfs/dbraw/zinc/50/03/50/1162500350.db2.gz RDPSJXNJRFUREE-JSGCOSHPSA-N 0 3 307.825 2.033 20 30 DEEDHN Cc1[nH]ccc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001380069110 1152744161 /nfs/dbraw/zinc/74/41/61/1152744161.db2.gz CQMQMCSABVBBOH-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN Cc1ncsc1CN1CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001380121831 1152752915 /nfs/dbraw/zinc/75/29/15/1152752915.db2.gz MIMRHKZAXYARNI-NWDGAFQWSA-N 0 3 320.462 2.328 20 30 DEEDHN COC(=O)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC001362325265 1152877812 /nfs/dbraw/zinc/87/78/12/1152877812.db2.gz HGVAUBZIDDXVLE-CQSZACIVSA-N 0 3 302.374 2.217 20 30 DEEDHN CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)C#N)NCc1cscn1 ZINC001381723806 1153196686 /nfs/dbraw/zinc/19/66/86/1153196686.db2.gz YAXPYEMPPLRVKF-GXTWGEPZSA-N 0 3 308.451 2.265 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](OCC)C(C)C)C1 ZINC001402917791 1162537383 /nfs/dbraw/zinc/53/73/83/1162537383.db2.gz BTTVVDFNZFMQJC-RUXDESIVSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H]1C ZINC001382333145 1153427404 /nfs/dbraw/zinc/42/74/04/1153427404.db2.gz IQVOTGRXGYUTQZ-ZIAGYGMSSA-N 0 3 313.873 2.192 20 30 DEEDHN Cc1cc(C2OCCO2)c(C)cc1CN1CC[C@@](O)(CC#N)C1 ZINC001363638785 1153513488 /nfs/dbraw/zinc/51/34/88/1153513488.db2.gz ZGQNONJTWMBZQY-SFHVURJKSA-N 0 3 316.401 2.199 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001403072681 1162689657 /nfs/dbraw/zinc/68/96/57/1162689657.db2.gz HHCGELMPLNGBCL-BBRMVZONSA-N 0 3 314.857 2.240 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CCC1(F)F)NCc1ccc(C#N)s1 ZINC001390413317 1155707463 /nfs/dbraw/zinc/70/74/63/1155707463.db2.gz WCTHTDVMNGQICD-JOYOIKCWSA-N 0 3 313.373 2.259 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)CCC(F)F)C2)s1 ZINC001390561922 1155804202 /nfs/dbraw/zinc/80/42/02/1155804202.db2.gz VZBGXDANEDOTTD-JTQLQIEISA-N 0 3 313.373 2.356 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCC1CCOCC1 ZINC001390700416 1155842430 /nfs/dbraw/zinc/84/24/30/1155842430.db2.gz JJNZUOIDSRBTNU-CYBMUJFWSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@H](C)NCc1nsc2ccccc12 ZINC001371729336 1155977088 /nfs/dbraw/zinc/97/70/88/1155977088.db2.gz AMXGTUJRZJOEOH-NEPJUHHUSA-N 0 3 316.430 2.440 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001371802955 1156022127 /nfs/dbraw/zinc/02/21/27/1156022127.db2.gz IQXWXQWYCRFXCS-CHWSQXEVSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@H](c1cccc(F)c1)N(C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001371937702 1156074334 /nfs/dbraw/zinc/07/43/34/1156074334.db2.gz BAXWBPIHEHYRGY-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001372634954 1156623387 /nfs/dbraw/zinc/62/33/87/1156623387.db2.gz XEZPQSIXRASQOV-JKSUJKDBSA-N 0 3 303.381 2.244 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1cscn1 ZINC001391881189 1156823126 /nfs/dbraw/zinc/82/31/26/1156823126.db2.gz OOLMKIDQEMOBCU-LBPRGKRZSA-N 0 3 314.414 2.170 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001392092829 1156866739 /nfs/dbraw/zinc/86/67/39/1156866739.db2.gz SAYMPWRKDLLYFV-ZENOOKHLSA-N 0 3 315.417 2.159 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)c1 ZINC001373156288 1156875206 /nfs/dbraw/zinc/87/52/06/1156875206.db2.gz TVIFSNVQFBSFIW-VCUZLRKMSA-N 0 3 306.797 2.081 20 30 DEEDHN CN(C/C=C/Cl)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001373288873 1156933695 /nfs/dbraw/zinc/93/36/95/1156933695.db2.gz QQCIOIMWBXIMGD-FXMSTWTQSA-N 0 3 306.797 2.033 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cn2cncc2C)CCCCC1 ZINC001403274212 1162833704 /nfs/dbraw/zinc/83/37/04/1162833704.db2.gz PWNVQYSLGZKTGO-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCCCN1CCc1ccns1 ZINC001403284948 1162838413 /nfs/dbraw/zinc/83/84/13/1162838413.db2.gz JOXQVHPIONTJQJ-KGLIPLIRSA-N 0 3 320.462 2.206 20 30 DEEDHN Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001373916349 1157459341 /nfs/dbraw/zinc/45/93/41/1157459341.db2.gz SXNAVYOQXHMSKK-DRZSPHRISA-N 0 3 306.435 2.128 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)Oc1cccnc1 ZINC001403451831 1162887473 /nfs/dbraw/zinc/88/74/73/1162887473.db2.gz ZYIRAMALOBMKQP-CHWSQXEVSA-N 0 3 311.813 2.086 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2(F)CCCC2)CCOCC1 ZINC001393715163 1157920471 /nfs/dbraw/zinc/92/04/71/1157920471.db2.gz WBTVJFIKXUAGPC-UHFFFAOYSA-N 0 3 318.820 2.276 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC001393768589 1157962965 /nfs/dbraw/zinc/96/29/65/1157962965.db2.gz DMWJJSSHPGVFQG-UHFFFAOYSA-N 0 3 316.873 2.364 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CCc1ccco1 ZINC001374726273 1157984690 /nfs/dbraw/zinc/98/46/90/1157984690.db2.gz NBVUIUSHGFHKBL-GFCCVEGCSA-N 0 3 317.414 2.440 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)c2cccnc2)C1 ZINC001393905694 1158057373 /nfs/dbraw/zinc/05/73/73/1158057373.db2.gz FDYXDKBUSRHLMZ-DNOWBOINSA-N 0 3 307.825 2.422 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001394377578 1158448688 /nfs/dbraw/zinc/44/86/88/1158448688.db2.gz ZATVQEGGBXJMDM-MGPQQGTHSA-N 0 3 302.846 2.284 20 30 DEEDHN CC[C@H](F)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001394498260 1158589009 /nfs/dbraw/zinc/58/90/09/1158589009.db2.gz DRBPFAOFFVCWHZ-WFASDCNBSA-N 0 3 321.396 2.251 20 30 DEEDHN CC[C@H](F)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001394504600 1158595953 /nfs/dbraw/zinc/59/59/53/1158595953.db2.gz PHNCXYXZDYSHFI-RISCZKNCSA-N 0 3 309.360 2.382 20 30 DEEDHN COCc1ccc(CN2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)cc1 ZINC001375821134 1158883748 /nfs/dbraw/zinc/88/37/48/1158883748.db2.gz OKLYZBGFPBPKLZ-RDTXWAMCSA-N 0 3 315.417 2.073 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)cs1 ZINC001376596154 1159587171 /nfs/dbraw/zinc/58/71/71/1159587171.db2.gz XTGCTYUTBYCQFJ-MRVWCRGKSA-N 0 3 320.462 2.376 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)C3CC3)CCC2)ccc1F ZINC001376709536 1159712607 /nfs/dbraw/zinc/71/26/07/1159712607.db2.gz YMQBHMWPQUBWTM-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCC(F)F)CCOCC1 ZINC001377196028 1160026211 /nfs/dbraw/zinc/02/62/11/1160026211.db2.gz GCRWYAVZPPEHPN-UHFFFAOYSA-N 0 3 310.772 2.039 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC001377321494 1160213050 /nfs/dbraw/zinc/21/30/50/1160213050.db2.gz PDKZDJNBUPHHTR-WMLDXEAASA-N 0 3 324.428 2.435 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001397566255 1160334083 /nfs/dbraw/zinc/33/40/83/1160334083.db2.gz IVSKOEQEGFMMSK-XBXGTLAGSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccccn1 ZINC001377770228 1160815594 /nfs/dbraw/zinc/81/55/94/1160815594.db2.gz PUYRRSPKOHVINB-NEPJUHHUSA-N 0 3 314.414 2.311 20 30 DEEDHN C[C@@H](NC(=O)c1ccccn1)[C@H](C)NCc1ccc(C#N)s1 ZINC001377770384 1160815615 /nfs/dbraw/zinc/81/56/15/1160815615.db2.gz PUYRRSPKOHVINB-NWDGAFQWSA-N 0 3 314.414 2.311 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2ccccc2n1 ZINC001399347544 1161358002 /nfs/dbraw/zinc/35/80/02/1161358002.db2.gz YAMGXGHUXYWFHY-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(C2CC2)CC1 ZINC001401628672 1162051745 /nfs/dbraw/zinc/05/17/45/1162051745.db2.gz NXDWSDPORKKWAH-LLVKDONJSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1csnn1 ZINC001402019827 1162218696 /nfs/dbraw/zinc/21/86/96/1162218696.db2.gz BBYPIMSLDCQDMK-CMPLNLGQSA-N 0 3 314.842 2.263 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001403987520 1163355147 /nfs/dbraw/zinc/35/51/47/1163355147.db2.gz QTJBIIAZUWLFQC-HIFRSBDPSA-N 0 3 315.889 2.296 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)C#N)NCc1cc(C)ccc1OC ZINC001405189388 1164003512 /nfs/dbraw/zinc/00/35/12/1164003512.db2.gz LEKQKOOHKGAPDM-UKRRQHHQSA-N 0 3 303.406 2.148 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)c1ccc[nH]1 ZINC001405797866 1164246030 /nfs/dbraw/zinc/24/60/30/1164246030.db2.gz NDVQVVZGORVLQJ-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1ccccn1)C(C)C ZINC001406027726 1164396612 /nfs/dbraw/zinc/39/66/12/1164396612.db2.gz BJDZEWKQLBJWSC-HNNXBMFYSA-N 0 3 309.841 2.497 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)C2CC2)C2CC2)cc1F ZINC001406737589 1164812030 /nfs/dbraw/zinc/81/20/30/1164812030.db2.gz TWMOZIXNHNFSRG-MRXNPFEDSA-N 0 3 301.365 2.092 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)C3(C4CC4)CC3)CC2)c1 ZINC001406939303 1164888286 /nfs/dbraw/zinc/88/82/86/1164888286.db2.gz RELWRQGBNGBEOK-UHFFFAOYSA-N 0 3 309.413 2.487 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001407926957 1165396662 /nfs/dbraw/zinc/39/66/62/1165396662.db2.gz XSLAQLRGRZHWPC-UHFFFAOYSA-N 0 3 317.905 2.497 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001417992845 1167349514 /nfs/dbraw/zinc/34/95/14/1167349514.db2.gz WLEPHNNTIJVKQI-GOEBONIOSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)Cn2cncc2C)C1 ZINC001418169865 1167457739 /nfs/dbraw/zinc/45/77/39/1167457739.db2.gz DFLQQOJDGBMADY-GJZGRUSLSA-N 0 3 324.856 2.161 20 30 DEEDHN Cc1ccc(CN(C)CCNC(=O)c2c[nH]c(C#N)c2)c(C)c1 ZINC001418458383 1167672446 /nfs/dbraw/zinc/67/24/46/1167672446.db2.gz XJDXAHWXKUUIEM-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)CC3CC3)C2)c(F)c1 ZINC001418600827 1167835983 /nfs/dbraw/zinc/83/59/83/1167835983.db2.gz ISLMENGNOSZMJQ-FZNQNYSPSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001419100475 1168204844 /nfs/dbraw/zinc/20/48/44/1168204844.db2.gz AJTOEBUXBLDAQV-PBHICJAKSA-N 0 3 322.412 2.427 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ocnc1CC)C1CC1 ZINC001419337297 1168408990 /nfs/dbraw/zinc/40/89/90/1168408990.db2.gz ANIDEOHZWPQTNU-OAHLLOKOSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001419344080 1168413576 /nfs/dbraw/zinc/41/35/76/1168413576.db2.gz NEGLLOBYWNSXCV-CQSZACIVSA-N 0 3 324.856 2.265 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)CN1CC[C@@H](C)C1 ZINC001419609071 1168669306 /nfs/dbraw/zinc/66/93/06/1168669306.db2.gz OJHOXTPFEDOQJZ-UKRRQHHQSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C(C)(C)COC)CCCC1 ZINC001419608760 1168669776 /nfs/dbraw/zinc/66/97/76/1168669776.db2.gz ZIFLAHHRYIUSIE-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C2CC(OC)C2)CCCC1 ZINC001419612131 1168673867 /nfs/dbraw/zinc/67/38/67/1168673867.db2.gz HBFXSXMYYSJHFE-UHFFFAOYSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@H](CNC(=O)C1CC2(CC2)C1)NCc1ccc(F)c(C#N)c1 ZINC001419852335 1168873920 /nfs/dbraw/zinc/87/39/20/1168873920.db2.gz LMLSXAKIWJBHQV-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccc(C)cc1 ZINC001420382549 1169442770 /nfs/dbraw/zinc/44/27/70/1169442770.db2.gz AYIWIVGOCZHBHK-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(CCOC2CCC2)C1 ZINC001420811286 1171192221 /nfs/dbraw/zinc/19/22/21/1171192221.db2.gz NHNGEHPMZHUYRF-GJZGRUSLSA-N 0 3 307.438 2.028 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)CCn1cccc1 ZINC001421745732 1171957211 /nfs/dbraw/zinc/95/72/11/1171957211.db2.gz JYOKUPHYICVFFL-MRXNPFEDSA-N 0 3 324.428 2.292 20 30 DEEDHN CCc1nc(C)c(CN2CCC[C@H](NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001421816974 1172012448 /nfs/dbraw/zinc/01/24/48/1172012448.db2.gz FBYDAMPACSBTQC-JSGCOSHPSA-N 0 3 318.421 2.176 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001422121100 1172319835 /nfs/dbraw/zinc/31/98/35/1172319835.db2.gz MGKLWNCXGLTRPR-UONOGXRCSA-N 0 3 313.873 2.192 20 30 DEEDHN CN(CCN(C)C(=O)C1CCC1)Cc1ccc(OCC#N)cc1 ZINC001422144081 1172340125 /nfs/dbraw/zinc/34/01/25/1172340125.db2.gz LYRNWHJYPHLEHB-UHFFFAOYSA-N 0 3 315.417 2.279 20 30 DEEDHN Cc1ccc(F)c(CNC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)c1 ZINC001422635826 1172783808 /nfs/dbraw/zinc/78/38/08/1172783808.db2.gz XMVQGKFSNVTHPJ-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)cc1F ZINC001422806210 1172871608 /nfs/dbraw/zinc/87/16/08/1172871608.db2.gz OHTIRYSYFWKVOX-QCEMKRCNSA-N 0 3 315.392 2.088 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)COC(C)C)C[C@@H]2C1 ZINC001422864758 1172889428 /nfs/dbraw/zinc/88/94/28/1172889428.db2.gz BAEHUILEICFJHZ-RRFJBIMHSA-N 0 3 314.857 2.381 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C2CC(C)(C)C2)CC1 ZINC001424525418 1173819659 /nfs/dbraw/zinc/81/96/59/1173819659.db2.gz BSCLREXAGWYNLE-UHFFFAOYSA-N 0 3 314.857 2.118 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccn(C)c2CC)C1 ZINC001424740469 1173893741 /nfs/dbraw/zinc/89/37/41/1173893741.db2.gz JMWSJNPZBDHLJQ-UHFFFAOYSA-N 0 3 309.841 2.438 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)Cc1ccc(OCC#N)cc1 ZINC001424979001 1174078073 /nfs/dbraw/zinc/07/80/73/1174078073.db2.gz LAYGARXXHIZVIG-CKEIUWERSA-N 0 3 315.417 2.181 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001426148639 1174618404 /nfs/dbraw/zinc/61/84/04/1174618404.db2.gz ZLRNWTUPXSYYDE-BXUZGUMPSA-N 0 3 306.385 2.001 20 30 DEEDHN CCN1C[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001434385508 1178436419 /nfs/dbraw/zinc/43/64/19/1178436419.db2.gz AGXPMAZADIIXEA-SJORKVTESA-N 0 3 324.428 2.087 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN[C@H](CO)c1ccccc1 ZINC001434464407 1178605559 /nfs/dbraw/zinc/60/55/59/1178605559.db2.gz YXWHCKUGSSKMRP-QGZVFWFLSA-N 0 3 309.369 2.210 20 30 DEEDHN COc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)ccc1S(C)(=O)=O ZINC001434496671 1178672876 /nfs/dbraw/zinc/67/28/76/1178672876.db2.gz ICVQKHFSOQSLCQ-OBJOEFQTSA-N 0 3 322.430 2.442 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C2CCCC2)cc1C#N ZINC001437101816 1179408783 /nfs/dbraw/zinc/40/87/83/1179408783.db2.gz VIKJSEWSMOWAMT-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](CNC(=O)CCC(F)F)NCc1ccc(F)c(C#N)c1 ZINC001437173729 1179518908 /nfs/dbraw/zinc/51/89/08/1179518908.db2.gz MCMDKTIIKKQZCV-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001437187108 1179530108 /nfs/dbraw/zinc/53/01/08/1179530108.db2.gz LCZLSPYERYOBTQ-SMDDNHRTSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001437375770 1179771783 /nfs/dbraw/zinc/77/17/83/1179771783.db2.gz ZFTMVKXVEGDGCC-VHDGCEQUSA-N 0 3 307.825 2.422 20 30 DEEDHN C[C@H](NCCN(C)C(=O)c1c[nH]c(C#N)c1)c1ccccc1F ZINC001437827596 1180016106 /nfs/dbraw/zinc/01/61/06/1180016106.db2.gz AEIZYPMZIWKJOZ-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN Cc1ncsc1CN1CCC(CCNC(=O)[C@H](C)C#N)CC1 ZINC001438451478 1180445675 /nfs/dbraw/zinc/44/56/75/1180445675.db2.gz WDKVYSRVPDHKRB-GFCCVEGCSA-N 0 3 320.462 2.330 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccco1 ZINC001438623627 1180688056 /nfs/dbraw/zinc/68/80/56/1180688056.db2.gz QIRBKJMMRWERRX-NSHDSACASA-N 0 3 303.387 2.463 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)C3(CF)CCC3)CC2)c1 ZINC001439646980 1181184031 /nfs/dbraw/zinc/18/40/31/1181184031.db2.gz RTEBSRWIKITIGF-UHFFFAOYSA-N 0 3 315.392 2.436 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001440299080 1181433731 /nfs/dbraw/zinc/43/37/31/1181433731.db2.gz AQVBGBUMRMUWDX-MCIONIFRSA-N 0 3 323.824 2.086 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](C)N(C)CCc1c(F)cccc1F ZINC001440916940 1181772738 /nfs/dbraw/zinc/77/27/38/1181772738.db2.gz REANVRXFNMZRMP-RYUDHWBXSA-N 0 3 309.360 2.103 20 30 DEEDHN CC[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001441257961 1181916678 /nfs/dbraw/zinc/91/66/78/1181916678.db2.gz JVLOGDQSBJTPQX-XDKFSHSGSA-N 0 3 311.429 2.398 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)c[nH]1 ZINC001441386244 1181968836 /nfs/dbraw/zinc/96/88/36/1181968836.db2.gz ZYYNUWPMYSNHHD-MGCOHNPYSA-N 0 3 313.188 2.056 20 30 DEEDHN C=C(Br)CNC[C@H](C1CC1)N(C)C(=O)C(C)C ZINC001441434528 1181993555 /nfs/dbraw/zinc/99/35/55/1181993555.db2.gz GJULDYXOARPWND-GFCCVEGCSA-N 0 3 303.244 2.378 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)[C@@H](C)C(C)C)cc1C#N ZINC001441965738 1182271438 /nfs/dbraw/zinc/27/14/38/1182271438.db2.gz BNKIDDNZJUPLNM-KGLIPLIRSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1onc2c1CCCC2 ZINC001442274977 1182400421 /nfs/dbraw/zinc/40/04/21/1182400421.db2.gz OSUMOWYCNYVUDA-LLVKDONJSA-N 0 3 311.813 2.404 20 30 DEEDHN CCN(CCNC(=O)c1cc[nH]c1C)Cc1cccc(C#N)c1 ZINC001442639874 1182596585 /nfs/dbraw/zinc/59/65/85/1182596585.db2.gz JYEDZBQLOJPPTF-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CCNC(=O)C3CC3)C2)s1 ZINC001443217350 1182884056 /nfs/dbraw/zinc/88/40/56/1182884056.db2.gz ZCGHWCXIQPETCZ-GFCCVEGCSA-N 0 3 303.431 2.358 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001444097180 1183284469 /nfs/dbraw/zinc/28/44/69/1183284469.db2.gz APGDUVVJJRCKJN-OAHLLOKOSA-N 0 3 309.797 2.028 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(N(C)C)nc1)C(C)C ZINC001444887236 1183621632 /nfs/dbraw/zinc/62/16/32/1183621632.db2.gz XOMFLPGGLRVSDI-CQSZACIVSA-N 0 3 324.856 2.244 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnc2n[nH]cc2c1)C(C)C ZINC001444894714 1183625986 /nfs/dbraw/zinc/62/59/86/1183625986.db2.gz QLGRRXGZXFNXAZ-ZDUSSCGKSA-N 0 3 321.812 2.054 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001445591338 1183921645 /nfs/dbraw/zinc/92/16/45/1183921645.db2.gz HRKBTDWIXLNKMN-FZMZJTMJSA-N 0 3 309.435 2.029 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001445592223 1183923631 /nfs/dbraw/zinc/92/36/31/1183923631.db2.gz VWCKMMVHERAUMX-NHYWBVRUSA-N 0 3 309.360 2.286 20 30 DEEDHN CCCC(=O)N[C@H](C)[C@H](C)NCc1cc(C#N)ccc1OC ZINC001447823810 1184883826 /nfs/dbraw/zinc/88/38/26/1184883826.db2.gz QEOBMIRWYPGIRC-QWHCGFSZSA-N 0 3 303.406 2.350 20 30 DEEDHN CCCC[C@@H](CNCc1cc(C)ns1)NC(=O)[C@@H](C)C#N ZINC001448253998 1185133044 /nfs/dbraw/zinc/13/30/44/1185133044.db2.gz RXXMJUNOFJPYMP-AAEUAGOBSA-N 0 3 308.451 2.376 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001448499534 1185259447 /nfs/dbraw/zinc/25/94/47/1185259447.db2.gz DGHVIATYXOQCGJ-AULYBMBSSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1coc(-c2cccnc2)n1 ZINC001448870260 1185443254 /nfs/dbraw/zinc/44/32/54/1185443254.db2.gz CCHCHIQUABZEQP-UHFFFAOYSA-N 0 3 314.389 2.317 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)CN(C)C(C)C)CCC[C@H]12 ZINC001449006303 1185482322 /nfs/dbraw/zinc/48/23/22/1185482322.db2.gz COOBYSAVZKJVRP-GOEBONIOSA-N 0 3 313.873 2.192 20 30 DEEDHN CCCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnc[n-]c2=O)C1 ZINC001331992659 1149804886 /nfs/dbraw/zinc/80/48/86/1149804886.db2.gz BKGONOQNULQHTP-UONOGXRCSA-N 0 3 320.437 2.345 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CC2(C(F)(F)F)CC2)C1 ZINC001331997772 1149805425 /nfs/dbraw/zinc/80/54/25/1149805425.db2.gz RAXVLPRUDFEANM-RYUDHWBXSA-N 0 3 302.340 2.321 20 30 DEEDHN CCOc1ccc(O)c(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC001332021680 1149809185 /nfs/dbraw/zinc/80/91/85/1149809185.db2.gz PSOLFOBIJHSQKW-KBPBESRZSA-N 0 3 303.406 2.209 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001370548898 1149808937 /nfs/dbraw/zinc/80/89/37/1149808937.db2.gz PTUFPIIYXDOGJP-RBSFLKMASA-N 0 3 308.809 2.363 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)[C@H](F)C(C)C)CCC[C@H]12 ZINC001332098551 1149819137 /nfs/dbraw/zinc/81/91/37/1149819137.db2.gz DARSBSQBSSAHLW-ZMSDIMECSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)c3c[n-]nn3)CCC[C@@H]12 ZINC001332102678 1149819647 /nfs/dbraw/zinc/81/96/47/1149819647.db2.gz YMGPKUWGHATGSR-NVXWUHKLSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@]2(NC(=O)c3c[n-]nn3)CCC[C@@H]12 ZINC001332102678 1149819648 /nfs/dbraw/zinc/81/96/48/1149819648.db2.gz YMGPKUWGHATGSR-NVXWUHKLSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC001332102678 1149819651 /nfs/dbraw/zinc/81/96/51/1149819651.db2.gz YMGPKUWGHATGSR-NVXWUHKLSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@@H]12 ZINC001332102678 1149819653 /nfs/dbraw/zinc/81/96/53/1149819653.db2.gz YMGPKUWGHATGSR-NVXWUHKLSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)c3c[n-]nn3)CCC[C@H]12 ZINC001332102679 1149819949 /nfs/dbraw/zinc/81/99/49/1149819949.db2.gz YMGPKUWGHATGSR-RDJZCZTQSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)c3c[n-]nn3)CCC[C@H]12 ZINC001332102679 1149819950 /nfs/dbraw/zinc/81/99/50/1149819950.db2.gz YMGPKUWGHATGSR-RDJZCZTQSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)c3cnn[n-]3)CCC[C@H]12 ZINC001332102679 1149819952 /nfs/dbraw/zinc/81/99/52/1149819952.db2.gz YMGPKUWGHATGSR-RDJZCZTQSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)c3cnn[n-]3)CCC[C@H]12 ZINC001332102679 1149819954 /nfs/dbraw/zinc/81/99/54/1149819954.db2.gz YMGPKUWGHATGSR-RDJZCZTQSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)Oc3ccccn3)CCC[C@H]12 ZINC001332110653 1149820387 /nfs/dbraw/zinc/82/03/87/1149820387.db2.gz JTNKCLMRASUHTB-RLFYNMQTSA-N 0 3 315.417 2.148 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)Oc3cccnc3)CCC[C@H]12 ZINC001332109685 1149820562 /nfs/dbraw/zinc/82/05/62/1149820562.db2.gz GQUYXNJSQDJQBY-UWWQBHOKSA-N 0 3 315.417 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001370678168 1149827488 /nfs/dbraw/zinc/82/74/88/1149827488.db2.gz OEEJPQHBZXJBML-BETUJISGSA-N 0 3 324.808 2.063 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3nc(C)sc3C)C2)C1 ZINC001072857050 790275796 /nfs/dbraw/zinc/27/57/96/790275796.db2.gz HXPAIPMYUVIFAZ-UHFFFAOYSA-N 0 3 305.447 2.023 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccccc2C)[C@@H]1C ZINC001332215837 1149836302 /nfs/dbraw/zinc/83/63/02/1149836302.db2.gz BJWPUOLRUFGKIW-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCc2sc(CNCC3CCC3)nc2C1 ZINC001089274326 782351929 /nfs/dbraw/zinc/35/19/29/782351929.db2.gz RLCVWKLSKPWNKR-NSHDSACASA-N 0 3 318.446 2.077 20 30 DEEDHN CN(CC/N=C/c1ccc(O)c(O)c1O)Cc1ccc(F)cc1 ZINC000176414569 782374775 /nfs/dbraw/zinc/37/47/75/782374775.db2.gz OLYIWGOAZUFLGY-VXLYETTFSA-N 0 3 318.348 2.493 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001332263932 1149841684 /nfs/dbraw/zinc/84/16/84/1149841684.db2.gz VSOSAYBPHPIADF-LSDHHAIUSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ncoc3C(F)(F)F)C2)C1 ZINC001072880230 790284909 /nfs/dbraw/zinc/28/49/09/790284909.db2.gz UEBXTWRIWYNNEP-UHFFFAOYSA-N 0 3 315.295 2.027 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)n([C@@H](C)CC)n3)C2)C1 ZINC001072883952 790286839 /nfs/dbraw/zinc/28/68/39/790286839.db2.gz GNASVSGSOHYWLZ-AWEZNQCLSA-N 0 3 316.449 2.496 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC001332413612 1149858191 /nfs/dbraw/zinc/85/81/91/1149858191.db2.gz POHQXBKLHICMPD-GOEBONIOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3noc4ccccc43)C2)C1 ZINC001072903137 790296104 /nfs/dbraw/zinc/29/61/04/790296104.db2.gz QILSLDQWIDMBLO-UHFFFAOYSA-N 0 3 311.385 2.091 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3c(F)cccc3F)C2)C1 ZINC001072926919 790306829 /nfs/dbraw/zinc/30/68/29/790306829.db2.gz ZGGDSDAHVLDNCR-UHFFFAOYSA-N 0 3 318.367 2.065 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(-c4ccncc4)on3)C2)C1 ZINC001072928232 790307636 /nfs/dbraw/zinc/30/76/36/790307636.db2.gz UAAJORDPPGAGCS-UHFFFAOYSA-N 0 3 324.384 2.071 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccc(OCC)nc1)C(C)C ZINC001332710974 1149883067 /nfs/dbraw/zinc/88/30/67/1149883067.db2.gz OGZFIZFEDXLEJL-UHFFFAOYSA-N 0 3 317.433 2.286 20 30 DEEDHN CC[C@H](C(=O)N[C@@H](C)CCNc1cccc(F)c1C#N)N(C)C ZINC001106389221 782682394 /nfs/dbraw/zinc/68/23/94/782682394.db2.gz GXNAIQJGQUDTLP-BLLLJJGKSA-N 0 3 320.412 2.344 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1C(F)(F)F ZINC001099232467 782768202 /nfs/dbraw/zinc/76/82/02/782768202.db2.gz IKIPFEGMRIFJDJ-MLGHIDQZSA-N 0 3 302.340 2.197 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106567336 782786939 /nfs/dbraw/zinc/78/69/39/782786939.db2.gz DPWQCCXODYBEGX-HZSPNIEDSA-N 0 3 322.478 2.325 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](OC)C1 ZINC001212231138 783080356 /nfs/dbraw/zinc/08/03/56/783080356.db2.gz NJNSHOXCKKHKQU-HUUCEWRRSA-N 0 3 322.453 2.118 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OCC)nc2)C[C@H]1C ZINC000947365303 783118253 /nfs/dbraw/zinc/11/82/53/783118253.db2.gz LMDSHIPGASYLAV-ZBFHGGJFSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2conc2C(C)C)C[C@H]1C ZINC000947385974 783123660 /nfs/dbraw/zinc/12/36/60/783123660.db2.gz BQFYESYDWPZMAR-ZIAGYGMSSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000947391506 783124419 /nfs/dbraw/zinc/12/44/19/783124419.db2.gz MPMVVIAIZHGWCD-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C(F)F)C[C@H]1C ZINC000947398807 783126289 /nfs/dbraw/zinc/12/62/89/783126289.db2.gz AJSSBUSRAAZDAD-GHMZBOCLSA-N 0 3 312.364 2.126 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C[C@H]1C ZINC000947437525 783135207 /nfs/dbraw/zinc/13/52/07/783135207.db2.gz RZAMGFJVPAFGPQ-HUUCEWRRSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C[C@@H]1C ZINC000947441463 783136880 /nfs/dbraw/zinc/13/68/80/783136880.db2.gz IZBFSQZJKZKPET-JKSUJKDBSA-N 0 3 313.445 2.270 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2coc(C(F)(F)F)n2)C[C@H]1C ZINC000947502357 783154527 /nfs/dbraw/zinc/15/45/27/783154527.db2.gz NLASCODOEIIUCS-ZJUUUORDSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)C2CCOCC2)C[C@H]1C ZINC000947527308 783162762 /nfs/dbraw/zinc/16/27/62/783162762.db2.gz IHKKPIMRDUZJJN-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCOCC2)C[C@@H]1C ZINC000947526907 783162368 /nfs/dbraw/zinc/16/23/68/783162368.db2.gz AXKRDSZBHIGWNU-HOCLYGCPSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2occ3c2CCOC3)C[C@H]1C ZINC000947572224 783177764 /nfs/dbraw/zinc/17/77/64/783177764.db2.gz LYEDJEFLKNAUSZ-TZMCWYRMSA-N 0 3 304.390 2.121 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccc3occc32)C[C@@H]1C ZINC000947568310 783177891 /nfs/dbraw/zinc/17/78/91/783177891.db2.gz KTNYRFNKWDSIQX-KBPBESRZSA-N 0 3 311.385 2.434 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1C ZINC000947588977 783182261 /nfs/dbraw/zinc/18/22/61/783182261.db2.gz JMWVGAGETGMUQD-CABCVRRESA-N 0 3 315.417 2.010 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000947597557 783183925 /nfs/dbraw/zinc/18/39/25/783183925.db2.gz IDIMEAHXXDXLTM-HIFRSBDPSA-N 0 3 323.396 2.156 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(CCC)on2)CC(C)(C)C1 ZINC001089531010 783187632 /nfs/dbraw/zinc/18/76/32/783187632.db2.gz JCVRXEUCWBMCGB-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c3ncccc23)CC(C)(C)C1 ZINC001089559104 783206790 /nfs/dbraw/zinc/20/67/90/783206790.db2.gz MRUVOGBILFWPBG-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cccc2Cl)[C@H](O)C1 ZINC001090550058 790349478 /nfs/dbraw/zinc/34/94/78/790349478.db2.gz MCNMBDBIHLSOSQ-LSDHHAIUSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CN1CCC2(CN(C(=O)c3ocnc3C(F)F)C2)C1 ZINC001072988970 790358215 /nfs/dbraw/zinc/35/82/15/790358215.db2.gz YLVMVMHTZNBVCA-UHFFFAOYSA-N 0 3 311.332 2.336 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001090571968 790362363 /nfs/dbraw/zinc/36/23/63/790362363.db2.gz CYGXSPXDZUGYSD-CVEARBPZSA-N 0 3 317.433 2.023 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)[C@H](O)C1 ZINC001090582874 790372550 /nfs/dbraw/zinc/37/25/50/790372550.db2.gz HTLFELSVLHPUGQ-JKSUJKDBSA-N 0 3 322.836 2.390 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)[C@@H]4CC45CC5)C3)C2)cc1 ZINC001073014336 790386052 /nfs/dbraw/zinc/38/60/52/790386052.db2.gz VKCMIVMWGLFGGS-KRWDZBQOSA-N 0 3 321.424 2.393 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CC)OC3CCCC3)C2)C1 ZINC001073026408 790397494 /nfs/dbraw/zinc/39/74/94/790397494.db2.gz DWDGEJNUUGKSSP-MRXNPFEDSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)[C@H](O)C1 ZINC001090634867 790410181 /nfs/dbraw/zinc/41/01/81/790410181.db2.gz YIGAHNLWGOBVOH-IAGOWNOFSA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)C1 ZINC001073040244 790410719 /nfs/dbraw/zinc/41/07/19/790410719.db2.gz YVFIWDRLPQYMQS-RCCFBDPRSA-N 0 3 308.425 2.293 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(C)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001073069261 790431220 /nfs/dbraw/zinc/43/12/20/790431220.db2.gz HTWMDDZDEABRNU-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCO[C@H](CCC)C3)C2)C1 ZINC001073083914 790443676 /nfs/dbraw/zinc/44/36/76/790443676.db2.gz NKHWRDPODNTDON-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2cncc(F)c2)C1 ZINC001211492606 776570359 /nfs/dbraw/zinc/57/03/59/776570359.db2.gz GKZRKLDGZFVHTD-CZUORRHYSA-N 0 3 305.397 2.166 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001067568319 776996733 /nfs/dbraw/zinc/99/67/33/776996733.db2.gz CUUBRJKJPAMEMJ-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001087136028 777028419 /nfs/dbraw/zinc/02/84/19/777028419.db2.gz INVJOGOVPFANTL-AGIUHOORSA-N 0 3 306.435 2.019 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001211505779 777050571 /nfs/dbraw/zinc/05/05/71/777050571.db2.gz CMCCRXBUSDCSGB-OIISXLGYSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001207373281 777525778 /nfs/dbraw/zinc/52/57/78/777525778.db2.gz HGIHJGXLOIJBRV-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)co3)C(C)(C)[C@@H]21 ZINC001087299731 777749230 /nfs/dbraw/zinc/74/92/30/777749230.db2.gz AQTHHGJZSGDSQX-FVQBIDKESA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccn1CC ZINC001087319667 777783684 /nfs/dbraw/zinc/78/36/84/777783684.db2.gz RSGXOWORBMQGRX-HYVNUMGLSA-N 0 3 313.445 2.360 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CN(C)c2ccccc2)C1 ZINC001112020388 778032394 /nfs/dbraw/zinc/03/23/94/778032394.db2.gz CGWXNJKZLPEATN-LPHOPBHVSA-N 0 3 313.445 2.280 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)[C@H](O)C1 ZINC001090838956 790587458 /nfs/dbraw/zinc/58/74/58/790587458.db2.gz HCHUMUUWIILXRW-ZIAGYGMSSA-N 0 3 320.458 2.060 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001073339742 790605643 /nfs/dbraw/zinc/60/56/43/790605643.db2.gz DRJCGXWIBNMLND-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001073343252 790608949 /nfs/dbraw/zinc/60/89/49/790608949.db2.gz MXNGMHFNZPUUES-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001167742153 778312883 /nfs/dbraw/zinc/31/28/83/778312883.db2.gz DVCRAAFYXUOOFG-UHFFFAOYSA-N 0 3 324.856 2.316 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C ZINC001105117711 778351195 /nfs/dbraw/zinc/35/11/95/778351195.db2.gz RZAHVNNWBXPZQX-ZWNOBZJWSA-N 0 3 310.829 2.158 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC(n2cc(CNCCC(C)C)nn2)C1 ZINC001105301014 778432647 /nfs/dbraw/zinc/43/26/47/778432647.db2.gz ILYIAGXJDDLITK-UHFFFAOYSA-N 0 3 319.453 2.009 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105318462 778444323 /nfs/dbraw/zinc/44/43/23/778444323.db2.gz AGIDGHSDVRTENC-KRWDZBQOSA-N 0 3 319.453 2.009 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc4c(c3)CCC4)C2)C1 ZINC001073421613 790646485 /nfs/dbraw/zinc/64/64/85/790646485.db2.gz ABIKPXXRZLYEFY-UHFFFAOYSA-N 0 3 310.441 2.438 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001073421113 790647565 /nfs/dbraw/zinc/64/75/65/790647565.db2.gz OYZMWKDAYLLWCK-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ncccc2OC)CC1 ZINC001167869760 778734899 /nfs/dbraw/zinc/73/48/99/778734899.db2.gz MYPGADMKNQMHOM-UHFFFAOYSA-N 0 3 323.824 2.332 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001075621369 778766207 /nfs/dbraw/zinc/76/62/07/778766207.db2.gz YDRCTVAXCWHDGS-JLJPHGGASA-N 0 3 315.392 2.061 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001126366287 778839869 /nfs/dbraw/zinc/83/98/69/778839869.db2.gz UKQJIJXHSPVGHC-OAHLLOKOSA-N 0 3 314.788 2.012 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)c2ccoc2)C1 ZINC001090925473 790673552 /nfs/dbraw/zinc/67/35/52/790673552.db2.gz UMVBTQHWCPYGFS-UHFFFAOYSA-N 0 3 313.195 2.286 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2scnc2C)CCOCC1 ZINC001149317119 779227492 /nfs/dbraw/zinc/22/74/92/779227492.db2.gz FCSFBLIQMFDVKD-UHFFFAOYSA-N 0 3 323.462 2.030 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@H]1CC ZINC001087581205 779362761 /nfs/dbraw/zinc/36/27/61/779362761.db2.gz VUZNVBYTLOKLIU-LSDHHAIUSA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)[C@H]1CC ZINC001087616409 779379618 /nfs/dbraw/zinc/37/96/18/779379618.db2.gz WDSQPBVQPABCAK-DOTOQJQBSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)[C@H]1CC ZINC001087743691 779433313 /nfs/dbraw/zinc/43/33/13/779433313.db2.gz GVCVHQWODKQFGA-DZGCQCFKSA-N 0 3 314.389 2.037 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@H]1CC ZINC001087781598 779450107 /nfs/dbraw/zinc/45/01/07/779450107.db2.gz TXLVHJCAJXURIK-DZGCQCFKSA-N 0 3 304.438 2.312 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@H]1CC ZINC001087833998 779474527 /nfs/dbraw/zinc/47/45/27/779474527.db2.gz FUSIUDKKCSFNQA-JKSUJKDBSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCc3ccco3)C[C@@H]2C1 ZINC001087882540 779513691 /nfs/dbraw/zinc/51/36/91/779513691.db2.gz XRYJGHHPWOJDEU-CVEARBPZSA-N 0 3 300.402 2.016 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001087911226 779536746 /nfs/dbraw/zinc/53/67/46/779536746.db2.gz NSALYZUYVJWPJN-FMKPAKJESA-N 0 3 315.392 2.266 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C)[C@@H]2C1 ZINC001075827289 779571409 /nfs/dbraw/zinc/57/14/09/779571409.db2.gz OKKIHTCARSFZGN-FUHWJXTLSA-N 0 3 314.429 2.265 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C[C@@H]2C1 ZINC001088047146 779655897 /nfs/dbraw/zinc/65/58/97/779655897.db2.gz IJRXVOODOAAKIW-QRKMNUTDSA-N 0 3 322.452 2.378 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCC3(F)F)C[C@@H]2C1 ZINC001088052774 779659363 /nfs/dbraw/zinc/65/93/63/779659363.db2.gz HZISMJBIQSMXMS-ILXRZTDVSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3CCC(F)CC3)C[C@@H]2C1 ZINC001088093858 779696003 /nfs/dbraw/zinc/69/60/03/779696003.db2.gz SCJDBVQDRRPRSQ-GMRIPVOYSA-N 0 3 306.425 2.318 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)s3)C[C@@H]2C1 ZINC001088133031 779719225 /nfs/dbraw/zinc/71/92/25/779719225.db2.gz PGTJYHYQNUNONM-OLZOCXBDSA-N 0 3 322.861 2.358 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccco3)C[C@@H]2C1 ZINC001088173150 779756370 /nfs/dbraw/zinc/75/63/70/779756370.db2.gz UXYKRQLELRNZBE-XHSDSOJGSA-N 0 3 300.402 2.187 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3OCc4ccccc43)C[C@@H]2C1 ZINC001088186224 779764215 /nfs/dbraw/zinc/76/42/15/779764215.db2.gz NUJXEBAUASWCJW-AYBZRNKSSA-N 0 3 324.424 2.062 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)C[C@@H]2C1 ZINC001088196248 779767723 /nfs/dbraw/zinc/76/77/23/779767723.db2.gz WOVOALBTTJYXTF-MOPGFXCFSA-N 0 3 308.425 2.202 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cnn(C)c2)C1 ZINC001088261005 779857779 /nfs/dbraw/zinc/85/77/79/779857779.db2.gz SWDLKOBXESNOGS-AWEZNQCLSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc(C)nn2C)C1 ZINC001088274029 779894547 /nfs/dbraw/zinc/89/45/47/779894547.db2.gz OKRIJOHNAOMUPG-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cn2cc(C)cn2)C1 ZINC001088274996 779895919 /nfs/dbraw/zinc/89/59/19/779895919.db2.gz KWCHXHUQNMMWNJ-OAHLLOKOSA-N 0 3 324.856 2.305 20 30 DEEDHN Cc1noc(C)c1CN[C@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088280010 779900674 /nfs/dbraw/zinc/90/06/74/779900674.db2.gz HBUDKZBMDYQACH-WFASDCNBSA-N 0 3 318.421 2.312 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@H](NCc2ccccn2)C1 ZINC001088280316 779902198 /nfs/dbraw/zinc/90/21/98/779902198.db2.gz NTIVIOGTILCRPF-ZBFHGGJFSA-N 0 3 300.406 2.102 20 30 DEEDHN CCc1nocc1CN[C@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088281364 779903455 /nfs/dbraw/zinc/90/34/55/779903455.db2.gz LUUGEQJLIRGHCS-ZFWWWQNUSA-N 0 3 318.421 2.257 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001073618019 790744916 /nfs/dbraw/zinc/74/49/16/790744916.db2.gz RRUJGPMGWPVDJM-ROUUACIJSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2ccnn2C)C1 ZINC001088303668 779926971 /nfs/dbraw/zinc/92/69/71/779926971.db2.gz FPAZGBZJWYTGQB-CQSZACIVSA-N 0 3 324.856 2.076 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2c[nH]nc2C)C1 ZINC001088357283 780019925 /nfs/dbraw/zinc/01/99/25/780019925.db2.gz XLWLVOZPLONTJH-CYBMUJFWSA-N 0 3 310.829 2.445 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cn2nccc2C)C1 ZINC001088391002 780062584 /nfs/dbraw/zinc/06/25/84/780062584.db2.gz ALKFVHBIKJZFOB-OAHLLOKOSA-N 0 3 324.856 2.305 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@H]1C ZINC001088566532 780491547 /nfs/dbraw/zinc/49/15/47/780491547.db2.gz RKQGCXWBEMKKRK-KGLIPLIRSA-N 0 3 304.438 2.377 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001073698265 790799292 /nfs/dbraw/zinc/79/92/92/790799292.db2.gz YCOOPBGAYAKZEP-QGZVFWFLSA-N 0 3 317.433 2.041 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C3CCC3)cnn2C)[C@H]1C ZINC001088580477 780538969 /nfs/dbraw/zinc/53/89/69/780538969.db2.gz OICXSARJQRWTSN-CJNGLKHVSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100259859 790808776 /nfs/dbraw/zinc/80/87/76/790808776.db2.gz WIJVOFXDTSANDL-UHFFFAOYSA-N 0 3 320.462 2.025 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H](OC)C1 ZINC001212075857 780626490 /nfs/dbraw/zinc/62/64/90/780626490.db2.gz COIQCHSFYUVBJL-JJTUDDRGSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)C[C@@H](C)O2 ZINC001098646465 780644447 /nfs/dbraw/zinc/64/44/47/780644447.db2.gz MXLSAWWHYUUYQQ-HYVNUMGLSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCn2cc(C)cn2)CC1 ZINC001168335856 780851898 /nfs/dbraw/zinc/85/18/98/780851898.db2.gz WUSQAJYVURHIJQ-UHFFFAOYSA-N 0 3 324.856 2.210 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn4cc(C)nc4c3)[C@@H]2C1 ZINC001076240410 781176873 /nfs/dbraw/zinc/17/68/73/781176873.db2.gz YXLQSXSJCVIPRT-DLBZAZTESA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1 ZINC001076483890 781281826 /nfs/dbraw/zinc/28/18/26/781281826.db2.gz WERRZJKKEXYTMO-WMLDXEAASA-N 0 3 324.428 2.296 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccc(Cl)cc3)[C@@H]2C1 ZINC001076519315 781291808 /nfs/dbraw/zinc/29/18/08/781291808.db2.gz ZHGOTNLNGDXOIU-XJKSGUPXSA-N 0 3 320.820 2.438 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cc(C)ccc3C)[C@@H]2C1 ZINC001076564714 781310495 /nfs/dbraw/zinc/31/04/95/781310495.db2.gz GHVUPWYMVRWOFQ-DLBZAZTESA-N 0 3 314.429 2.401 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COC3CCC(C)CC3)[C@@H]2C1 ZINC001076631146 781333999 /nfs/dbraw/zinc/33/39/99/781333999.db2.gz KPLKQOVIRIRJSY-ODZFXCKXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3CCC(OC)CC3)[C@@H]2C1 ZINC001076640262 781335878 /nfs/dbraw/zinc/33/58/78/781335878.db2.gz BFLISEDJMLVAMW-ODZFXCKXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076952039 781435781 /nfs/dbraw/zinc/43/57/81/781435781.db2.gz OBMNXNJJPQZUMG-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)N(C)CC ZINC001077108896 781489073 /nfs/dbraw/zinc/48/90/73/781489073.db2.gz XVEMWDAWDFPNEB-AWEZNQCLSA-N 0 3 311.470 2.084 20 30 DEEDHN COC(=O)c1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001144438359 790913097 /nfs/dbraw/zinc/91/30/97/790913097.db2.gz DHOAMAIQLFTHOS-AWEZNQCLSA-N 0 3 321.373 2.386 20 30 DEEDHN CO[C@@H]1CN(CCC2CCCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212249227 783236983 /nfs/dbraw/zinc/23/69/83/783236983.db2.gz ZMURPVODUZOAKZ-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nccnc32)C[C@H]1C ZINC000947858012 783249299 /nfs/dbraw/zinc/24/92/99/783249299.db2.gz WANRJXSHBYIPBN-KGLIPLIRSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1C ZINC000947857935 783249962 /nfs/dbraw/zinc/24/99/62/783249962.db2.gz USGJPWPJIVDHTK-DOMZBBRYSA-N 0 3 310.401 2.087 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1C ZINC000947857109 783250248 /nfs/dbraw/zinc/25/02/48/783250248.db2.gz GNIPZHKZHANFGA-CZUORRHYSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC001089629957 783299707 /nfs/dbraw/zinc/29/97/07/783299707.db2.gz XUMMSVSUAGBJSC-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnn1 ZINC001089713909 783375569 /nfs/dbraw/zinc/37/55/69/783375569.db2.gz COKZWJHLYWXRIP-CQSZACIVSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H](C)n2cccc2)CC1 ZINC000948309567 783420528 /nfs/dbraw/zinc/42/05/28/783420528.db2.gz RNHOSLUHWXGOSU-IAGOWNOFSA-N 0 3 301.434 2.385 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H](OC)C1 ZINC001212301332 783442371 /nfs/dbraw/zinc/44/23/71/783442371.db2.gz NBQBKZRFIVKIAR-CWQOZTLDSA-N 0 3 318.461 2.370 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@H](OC)C1 ZINC001212308460 783443316 /nfs/dbraw/zinc/44/33/16/783443316.db2.gz AHDGUVROQSNVLJ-IAGOWNOFSA-N 0 3 317.433 2.039 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(Cl)cnn2CC)CC1 ZINC000948408142 783455747 /nfs/dbraw/zinc/45/57/47/783455747.db2.gz LRACNODBXOOLHQ-CYBMUJFWSA-N 0 3 322.840 2.116 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000948583190 783511110 /nfs/dbraw/zinc/51/11/10/783511110.db2.gz KKJPPYPDRYODDN-CQSZACIVSA-N 0 3 316.449 2.267 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC001066227168 783572097 /nfs/dbraw/zinc/57/20/97/783572097.db2.gz ZDCSJGHWSCEAIW-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NCc2cnn(C)c2)C1 ZINC001085324934 783640923 /nfs/dbraw/zinc/64/09/23/783640923.db2.gz QLJZYNLYOWJZGH-HZPDHXFCSA-N 0 3 316.449 2.293 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC000967031311 783861931 /nfs/dbraw/zinc/86/19/31/783861931.db2.gz KOORVMLXSLCPFE-WMLDXEAASA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)Oc1ccccc1C ZINC001114901486 783865720 /nfs/dbraw/zinc/86/57/20/783865720.db2.gz KVMCUQWPNCQVLZ-HPFXQQBRSA-N 0 3 314.429 2.385 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001085597029 783868702 /nfs/dbraw/zinc/86/87/02/783868702.db2.gz OOKCNZRXLDMPKP-LSDHHAIUSA-N 0 3 316.449 2.329 20 30 DEEDHN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC000967090404 783881035 /nfs/dbraw/zinc/88/10/35/783881035.db2.gz TYSJRWMITIOIJU-KDOFPFPSSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621306 783893422 /nfs/dbraw/zinc/89/34/22/783893422.db2.gz MPCUNLAMDGYSFB-GFCCVEGCSA-N 0 3 309.360 2.472 20 30 DEEDHN CC[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000967237654 783909515 /nfs/dbraw/zinc/90/95/15/783909515.db2.gz VGFXRLATUHIGSK-SWLSCSKDSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085635667 783913134 /nfs/dbraw/zinc/91/31/34/783913134.db2.gz WJNHQCBKYOUNJJ-GFCCVEGCSA-N 0 3 310.829 2.484 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085669467 783944254 /nfs/dbraw/zinc/94/42/54/783944254.db2.gz ZVCUXVKKFJYLBM-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC000967398639 783980931 /nfs/dbraw/zinc/98/09/31/783980931.db2.gz ZHCKLNAETZKUBA-RDTXWAMCSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@H]2CCN2C(C)C)cc1 ZINC001085858257 784146601 /nfs/dbraw/zinc/14/66/01/784146601.db2.gz UUUPAQVCHKTESL-MRXNPFEDSA-N 0 3 300.402 2.253 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn2ccccc12 ZINC001085877459 784170462 /nfs/dbraw/zinc/17/04/62/784170462.db2.gz CLUGGZOEXVVBPE-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)nc1C ZINC001085921373 784217702 /nfs/dbraw/zinc/21/77/02/784217702.db2.gz ALDDHNNATDJRMG-HNNXBMFYSA-N 0 3 304.438 2.495 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC001085966423 784263864 /nfs/dbraw/zinc/26/38/64/784263864.db2.gz JSTAPAZSIUVYBY-QGZVFWFLSA-N 0 3 315.417 2.367 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968346686 784306882 /nfs/dbraw/zinc/30/68/82/784306882.db2.gz ZVMZPNSGNYOAMM-CJNGLKHVSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)c2ccncc2)C1 ZINC001086012865 784319168 /nfs/dbraw/zinc/31/91/68/784319168.db2.gz SZVILGOLXFXTCC-BJHJDKERSA-N 0 3 324.222 2.088 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)[C@H](C)C1 ZINC001074033657 791023008 /nfs/dbraw/zinc/02/30/08/791023008.db2.gz PCNCMPVJOAAXMQ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC000968544596 784456984 /nfs/dbraw/zinc/45/69/84/784456984.db2.gz QRVPURMNYBBXLQ-RDJZCZTQSA-N 0 3 318.461 2.043 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)CC[C@@H]2C)cn1 ZINC000968561390 784465195 /nfs/dbraw/zinc/46/51/95/784465195.db2.gz KZLAAVGNPOBZGC-MAUKXSAKSA-N 0 3 311.429 2.469 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC000968619584 784504886 /nfs/dbraw/zinc/50/48/86/784504886.db2.gz NVHYUMRZNJBYJQ-IUODEOHRSA-N 0 3 307.463 2.397 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001086231467 784507272 /nfs/dbraw/zinc/50/72/72/784507272.db2.gz JPVZZZUEUYHYCG-BETUJISGSA-N 0 3 310.829 2.062 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cn(CCC)nc2C)C1 ZINC001086233051 784508457 /nfs/dbraw/zinc/50/84/57/784508457.db2.gz NCVZAHYGOHKIHD-OKILXGFUSA-N 0 3 324.856 2.452 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968668558 784532204 /nfs/dbraw/zinc/53/22/04/784532204.db2.gz CPQWEZUIZCXVPT-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001086283244 784541093 /nfs/dbraw/zinc/54/10/93/784541093.db2.gz QDIVIEGEXJMNDH-LJISPDSOSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000968757667 784575878 /nfs/dbraw/zinc/57/58/78/784575878.db2.gz AOSZFMMAHZNBON-OAHLLOKOSA-N 0 3 304.438 2.279 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccns3)C2)s1 ZINC000968831864 784613032 /nfs/dbraw/zinc/61/30/32/784613032.db2.gz QUEOSGZAGQXVFV-SNVBAGLBSA-N 0 3 318.427 2.081 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(OCC)nc2)C1 ZINC001086379881 784635734 /nfs/dbraw/zinc/63/57/34/784635734.db2.gz CTXSMKKFUWPARW-MQMHXKEQSA-N 0 3 323.824 2.331 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn(C)c1Cl ZINC000968920696 784650078 /nfs/dbraw/zinc/65/00/78/784650078.db2.gz XUUPCKOXVVSHKE-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC000968971510 784674624 /nfs/dbraw/zinc/67/46/24/784674624.db2.gz NFMAYTKNAGBFHO-HNNXBMFYSA-N 0 3 304.438 2.197 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001086433721 784732243 /nfs/dbraw/zinc/73/22/43/784732243.db2.gz IFUCZLGDSWFAMT-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001086485796 784771491 /nfs/dbraw/zinc/77/14/91/784771491.db2.gz OGVRZJCLAKYDFV-QCEMKRCNSA-N 0 3 319.836 2.422 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001086482912 784771511 /nfs/dbraw/zinc/77/15/11/784771511.db2.gz CFRFFQNMPYOPQP-FDYHWXHSSA-N 0 3 315.255 2.426 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)C2CC=CC2)c1 ZINC001156063057 784816590 /nfs/dbraw/zinc/81/65/90/784816590.db2.gz XBSKNBBIDBQCMN-UHFFFAOYSA-N 0 3 301.365 2.259 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cn(CCC)nc2C)C1 ZINC001086512929 784817940 /nfs/dbraw/zinc/81/79/40/784817940.db2.gz NCVZAHYGOHKIHD-HDJSIYSDSA-N 0 3 324.856 2.452 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001007460009 784926726 /nfs/dbraw/zinc/92/67/26/784926726.db2.gz RFDIRPYOJQLMET-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001168999862 784997957 /nfs/dbraw/zinc/99/79/57/784997957.db2.gz ZUHPLEPQUVZMLT-UHFFFAOYSA-N 0 3 323.824 2.128 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001007964705 785060498 /nfs/dbraw/zinc/06/04/98/785060498.db2.gz XHJSAQKPIUGIGV-AEFFLSMTSA-N 0 3 314.404 2.459 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC001091315655 791084645 /nfs/dbraw/zinc/08/46/45/791084645.db2.gz JHKNPOWVFWIICR-UHFFFAOYSA-N 0 3 322.840 2.144 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CCC)on2)C1 ZINC001091305843 791090512 /nfs/dbraw/zinc/09/05/12/791090512.db2.gz PUYRDDNSKOCKDY-UHFFFAOYSA-N 0 3 311.813 2.478 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccnc(OCC)c2)C1 ZINC001008476261 785216433 /nfs/dbraw/zinc/21/64/33/785216433.db2.gz VHARCXLQGOBEJM-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2noc3c2CCCC3)C1 ZINC001008646030 785259998 /nfs/dbraw/zinc/25/99/98/785259998.db2.gz BACRZBKIZHVHEN-ZDUSSCGKSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1ccnc(OC)n1 ZINC001169707191 785316691 /nfs/dbraw/zinc/31/66/91/785316691.db2.gz YRHUYGXYNIRNRV-CQSZACIVSA-N 0 3 320.437 2.216 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCCNCc1cc(C2CC2)no1 ZINC001169821928 785379639 /nfs/dbraw/zinc/37/96/39/785379639.db2.gz PEAULRMYFRILGU-OLZOCXBDSA-N 0 3 318.421 2.476 20 30 DEEDHN COCCC(C)(C)C(=O)NCCCNCc1ccccc1C#N ZINC001169837330 785382740 /nfs/dbraw/zinc/38/27/40/785382740.db2.gz DLBVOPGWNQNQFZ-UHFFFAOYSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001009375474 785441464 /nfs/dbraw/zinc/44/14/64/785441464.db2.gz FMWYNIRSYLHFPZ-MRXNPFEDSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001009380779 785443246 /nfs/dbraw/zinc/44/32/46/785443246.db2.gz BLBSRQNNMHSDIP-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](CCC)OC)C[C@@H](C)O2 ZINC001111547139 785472435 /nfs/dbraw/zinc/47/24/35/785472435.db2.gz JGTOSSOGPVBDTB-CVEARBPZSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001009617058 785493334 /nfs/dbraw/zinc/49/33/34/785493334.db2.gz HULLAQQRIFJEGG-ZDUSSCGKSA-N 0 3 307.463 2.405 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(CC)c1 ZINC001109055357 785689939 /nfs/dbraw/zinc/68/99/39/785689939.db2.gz ZHNIDFOKEJIPAH-IKGGRYGDSA-N 0 3 316.449 2.133 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109566390 785933355 /nfs/dbraw/zinc/93/33/55/785933355.db2.gz AJHHGAOKJDXVIB-WBTNSWJXSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cn(C)nc2Cl)CC1 ZINC001113344132 786537009 /nfs/dbraw/zinc/53/70/09/786537009.db2.gz OQALVQZAFXBDFQ-ZDUSSCGKSA-N 0 3 324.856 2.115 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001014759310 786739365 /nfs/dbraw/zinc/73/93/65/786739365.db2.gz GGLANSOFSAHPBV-CYBMUJFWSA-N 0 3 318.446 2.475 20 30 DEEDHN C=C(C)CCN1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001113724009 786779245 /nfs/dbraw/zinc/77/92/45/786779245.db2.gz BSTMYNXHJOVGRL-UHFFFAOYSA-N 0 3 315.461 2.229 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001015035357 786872590 /nfs/dbraw/zinc/87/25/90/786872590.db2.gz WDTASWUKYHMPCW-CYBMUJFWSA-N 0 3 300.333 2.399 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001015156949 786920675 /nfs/dbraw/zinc/92/06/75/786920675.db2.gz VKSXOZYLUHDLNC-CQSZACIVSA-N 0 3 306.381 2.143 20 30 DEEDHN CCOC(=O)[C@@H](C#N)Nc1ccc([C@@H]2CCCCN2C)cn1 ZINC001170369459 786925122 /nfs/dbraw/zinc/92/51/22/786925122.db2.gz VKLRYNHCXVLSLT-KGLIPLIRSA-N 0 3 302.378 2.106 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001015374070 787022119 /nfs/dbraw/zinc/02/21/19/787022119.db2.gz XXIDSYUEQYFKOT-ZDUSSCGKSA-N 0 3 300.362 2.050 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001114247370 787182439 /nfs/dbraw/zinc/18/24/39/787182439.db2.gz JPISSZVNWXLSOB-MNZLEMJZSA-N 0 3 314.404 2.074 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(C)CC(=C)C2)C1 ZINC001130427574 787389771 /nfs/dbraw/zinc/38/97/71/787389771.db2.gz POLBMVKTDASINC-AWEZNQCLSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C=C(C)C)n1 ZINC001130865962 787491385 /nfs/dbraw/zinc/49/13/85/787491385.db2.gz BSOIWGJQUYFKGK-GJZGRUSLSA-N 0 3 318.421 2.063 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCOCC2CC2)C1 ZINC001100327526 787596737 /nfs/dbraw/zinc/59/67/37/787596737.db2.gz LREDMJXYASZDBH-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(C)nc3c1)C2 ZINC001096250333 787597647 /nfs/dbraw/zinc/59/76/47/787597647.db2.gz NXLRBTRERPODJR-JLSDUUJJSA-N 0 3 322.412 2.230 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C1CC1)C2 ZINC001096287306 787603459 /nfs/dbraw/zinc/60/34/59/787603459.db2.gz RMCFWFLHMHXXDH-RDBSUJKOSA-N 0 3 301.390 2.463 20 30 DEEDHN C[C@@H](Nc1cccc(C2(C#N)CCOCC2)c1)[C@@H]1CNCCO1 ZINC001170568317 787646859 /nfs/dbraw/zinc/64/68/59/787646859.db2.gz GNPPDUCEBQHIFM-PBHICJAKSA-N 0 3 315.417 2.047 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2nccc3occc32)c1 ZINC001131607419 787661303 /nfs/dbraw/zinc/66/13/03/787661303.db2.gz IVMWWGDMIGPJFJ-UHFFFAOYSA-N 0 3 320.352 2.219 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCOCC)C2)C1 ZINC001131676524 787687629 /nfs/dbraw/zinc/68/76/29/787687629.db2.gz BBIMIJUUZBZFCA-SJLPKXTDSA-N 0 3 324.465 2.071 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(C3CC3)CCC2)s1 ZINC001131913396 787799802 /nfs/dbraw/zinc/79/98/02/787799802.db2.gz QZEVPIDSHMBEKV-UHFFFAOYSA-N 0 3 303.431 2.406 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2cc(C)on2)CC[C@H]1C ZINC001132123730 787937233 /nfs/dbraw/zinc/93/72/33/787937233.db2.gz IPYABFSUIABYGK-HIFRSBDPSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132215557 787968131 /nfs/dbraw/zinc/96/81/31/787968131.db2.gz ZQWIDIYPTGUZBR-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@@H]1C ZINC001132240305 787991916 /nfs/dbraw/zinc/99/19/16/787991916.db2.gz FESXJOBAXQTZAE-GOEBONIOSA-N 0 3 317.433 2.265 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)N1CCCCCCC1 ZINC001132304280 788018650 /nfs/dbraw/zinc/01/86/50/788018650.db2.gz LRJLYDCYWRMRBE-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCc2nc(C)no2)CC[C@H]1C ZINC001132487330 788092894 /nfs/dbraw/zinc/09/28/94/788092894.db2.gz UBDSGQRUCMWQBV-UKRRQHHQSA-N 0 3 320.437 2.246 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccc(F)cc2)CC[C@@H]1C ZINC001132478628 788095109 /nfs/dbraw/zinc/09/51/09/788095109.db2.gz MFYRBXLBXLDLCB-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001132521256 788117066 /nfs/dbraw/zinc/11/70/66/788117066.db2.gz AKNXIQAQYZRDPN-UONOGXRCSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001097621143 788149834 /nfs/dbraw/zinc/14/98/34/788149834.db2.gz OMERNGNYVQZUHP-JLZZUVOBSA-N 0 3 310.401 2.474 20 30 DEEDHN CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132658692 788153033 /nfs/dbraw/zinc/15/30/33/788153033.db2.gz JTJLLARQBSDKMY-CABCVRRESA-N 0 3 300.402 2.103 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001132663046 788158817 /nfs/dbraw/zinc/15/88/17/788158817.db2.gz OTZPUCUWLVPRBX-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNC[C@H](O)c1ccccc1F ZINC001132667755 788160486 /nfs/dbraw/zinc/16/04/86/788160486.db2.gz RMHUHMIKIPRWCJ-CJNGLKHVSA-N 0 3 308.397 2.167 20 30 DEEDHN CCCc1[nH]ccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001132687113 788166729 /nfs/dbraw/zinc/16/67/29/788166729.db2.gz UWMFXWIUAHHSPL-UHFFFAOYSA-N 0 3 310.401 2.358 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@H](CNCc2ccn(CC)n2)C1 ZINC001132700300 788173430 /nfs/dbraw/zinc/17/34/30/788173430.db2.gz FNZAKKCWCGUDRO-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@@H](CNCc2ccn(CC)n2)C1 ZINC001132700299 788173720 /nfs/dbraw/zinc/17/37/20/788173720.db2.gz FNZAKKCWCGUDRO-HOTGVXAUSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001132866330 788213526 /nfs/dbraw/zinc/21/35/26/788213526.db2.gz XWMHWHSJBCWGON-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN CCC(C)(C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001133167383 788306342 /nfs/dbraw/zinc/30/63/42/788306342.db2.gz JQOKTEKSVQQCAS-UHFFFAOYSA-N 0 3 303.406 2.209 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001097989237 788314378 /nfs/dbraw/zinc/31/43/78/788314378.db2.gz KQLRIASLECZLAD-NFAWXSAZSA-N 0 3 301.390 2.463 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001133383197 788393848 /nfs/dbraw/zinc/39/38/48/788393848.db2.gz KEACTUSVDNRKQB-YJBOKZPZSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNC[C@H](O)c1ccccc1F ZINC001133383507 788394196 /nfs/dbraw/zinc/39/41/96/788394196.db2.gz RTZOEZYUHATYFC-DOTOQJQBSA-N 0 3 308.397 2.167 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@H](C)OC ZINC001133390819 788399756 /nfs/dbraw/zinc/39/97/56/788399756.db2.gz KVMGMAGBURKLCE-AWEZNQCLSA-N 0 3 322.836 2.316 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2occc2Cl)cc1 ZINC001133419706 788409051 /nfs/dbraw/zinc/40/90/51/788409051.db2.gz VIGOUCFHJPBYTQ-UHFFFAOYSA-N 0 3 303.749 2.324 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)C1CC1)NCc1cc(F)ccc1C#N ZINC001133441971 788422661 /nfs/dbraw/zinc/42/26/61/788422661.db2.gz FPDMPJZNYOCCDB-RYUDHWBXSA-N 0 3 303.381 2.480 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001133537008 788473309 /nfs/dbraw/zinc/47/33/09/788473309.db2.gz LCGQODREQYSLAQ-UKRRQHHQSA-N 0 3 303.381 2.339 20 30 DEEDHN COCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133799880 788616739 /nfs/dbraw/zinc/61/67/39/788616739.db2.gz WULOGLOYHKRXMJ-GJZGRUSLSA-N 0 3 317.433 2.358 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ocnc2C2CC2)s1 ZINC001133810018 788621597 /nfs/dbraw/zinc/62/15/97/788621597.db2.gz JTPFYAGMMBJHKG-UHFFFAOYSA-N 0 3 316.386 2.005 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)c1ccon1 ZINC001133816822 788624030 /nfs/dbraw/zinc/62/40/30/788624030.db2.gz SVYMAWDEBKBYNM-UWVGGRQHSA-N 0 3 316.199 2.070 20 30 DEEDHN C[C@@H](CCCCNCc1ccn(C)n1)NC(=O)C#CC(C)(C)C ZINC001170711319 788663636 /nfs/dbraw/zinc/66/36/36/788663636.db2.gz RRWSKSFVQXMLJF-HNNXBMFYSA-N 0 3 318.465 2.234 20 30 DEEDHN CCOCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133901240 788672092 /nfs/dbraw/zinc/67/20/92/788672092.db2.gz SAZBUSRCFVWSAX-HUUCEWRRSA-N 0 3 317.433 2.358 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1cocn1)NCc1ccccc1C#N ZINC001133941647 788686919 /nfs/dbraw/zinc/68/69/19/788686919.db2.gz AZECABZHGWVYPZ-STQMWFEESA-N 0 3 312.373 2.233 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1nccnc1C ZINC001134119893 788771344 /nfs/dbraw/zinc/77/13/44/788771344.db2.gz YUIIGLINMNERSS-LSDHHAIUSA-N 0 3 316.449 2.352 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnns1 ZINC001134119515 788771360 /nfs/dbraw/zinc/77/13/60/788771360.db2.gz SDMCYAQYGINYRY-OLZOCXBDSA-N 0 3 308.451 2.105 20 30 DEEDHN CCc1nc(C)c(CN[C@H](C)C[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001134322755 788869834 /nfs/dbraw/zinc/86/98/34/788869834.db2.gz WAFPCRHPUGXBDR-OLZOCXBDSA-N 0 3 317.433 2.332 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccc(C)c2ccccc12 ZINC001134393937 788909564 /nfs/dbraw/zinc/90/95/64/788909564.db2.gz SQEODRITLDPBJJ-UHFFFAOYSA-N 0 3 310.397 2.117 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccnc(OC)n1 ZINC001134469832 788938265 /nfs/dbraw/zinc/93/82/65/788938265.db2.gz IUWLWVPZXYWIGF-ZIAGYGMSSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001134454027 788940199 /nfs/dbraw/zinc/94/01/99/788940199.db2.gz PPGYXDIIDGYYGG-KBPBESRZSA-N 0 3 306.454 2.395 20 30 DEEDHN C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001134726745 789050172 /nfs/dbraw/zinc/05/01/72/789050172.db2.gz SYIRKMZRGWYLIQ-KGLIPLIRSA-N 0 3 320.437 2.415 20 30 DEEDHN C[C@@H]1CC[C@@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001134738089 789056124 /nfs/dbraw/zinc/05/61/24/789056124.db2.gz GHKIPSXRDHAIPK-TZMCWYRMSA-N 0 3 303.381 2.339 20 30 DEEDHN C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001134881269 789121654 /nfs/dbraw/zinc/12/16/54/789121654.db2.gz VUJMYENRJRVCFS-UWVGGRQHSA-N 0 3 308.813 2.060 20 30 DEEDHN C#CCCCCCC(=O)N[C@H](C)C[C@H](C)NCc1cnns1 ZINC001135193129 789230136 /nfs/dbraw/zinc/23/01/36/789230136.db2.gz FJZSIMLTPFUNKV-UONOGXRCSA-N 0 3 322.478 2.495 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)ncn1 ZINC001135224536 789248113 /nfs/dbraw/zinc/24/81/13/789248113.db2.gz FLHSAGAJRTZRBL-GDBMZVCRSA-N 0 3 316.449 2.352 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001135225340 789248995 /nfs/dbraw/zinc/24/89/95/789248995.db2.gz QEWADQLAZWXNAN-CVEARBPZSA-N 0 3 318.465 2.470 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cc2n(n1)CCC2 ZINC001135236022 789254882 /nfs/dbraw/zinc/25/48/82/789254882.db2.gz PKOCBZBWPINUOA-KBPBESRZSA-N 0 3 318.465 2.414 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cncc(OC)n1 ZINC001135357621 789299191 /nfs/dbraw/zinc/29/91/91/789299191.db2.gz FTQNORUWFUXHQI-ZIAGYGMSSA-N 0 3 320.437 2.214 20 30 DEEDHN CCCc1cc(C#N)c(N[C@H](C)[C@H]2CNCCO2)nc1Cl ZINC001159496413 789414510 /nfs/dbraw/zinc/41/45/10/789414510.db2.gz CWEXXKKJLGCVKO-ZWNOBZJWSA-N 0 3 308.813 2.348 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070863232 789471908 /nfs/dbraw/zinc/47/19/08/789471908.db2.gz QHWBWWMFOKOKRN-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001071064641 789510150 /nfs/dbraw/zinc/51/01/50/789510150.db2.gz HMGVMFIQBYDMHK-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CC1CCCC1)C[C@H](C)O2 ZINC001071127378 789539580 /nfs/dbraw/zinc/53/95/80/789539580.db2.gz NCIZLIXPGIEYJD-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccoc1C)C[C@H](C)O2 ZINC001071129747 789543403 /nfs/dbraw/zinc/54/34/03/789543403.db2.gz QRVHAUQKVQXJEQ-KBXCAEBGSA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C(\C)C1CC1)C[C@H](C)O2 ZINC001071144238 789555514 /nfs/dbraw/zinc/55/55/14/789555514.db2.gz JJAQTUFTVREDSW-KLTGIMADSA-N 0 3 316.445 2.058 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)=C1CCC1)C[C@H](C)O2 ZINC001071169000 789572271 /nfs/dbraw/zinc/57/22/71/789572271.db2.gz KPOAFDNSLQXWML-HNAYVOBHSA-N 0 3 316.445 2.202 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1CC3(CC3)C1)C[C@H](C)O2 ZINC001071214315 789599952 /nfs/dbraw/zinc/59/99/52/789599952.db2.gz SSDJMJOIWIYIOH-HNAYVOBHSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071355314 789677891 /nfs/dbraw/zinc/67/78/91/789677891.db2.gz BHMRFFLEBSSNNF-RVKKMQEKSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3cccnc3n2)CC[C@H]1C ZINC001071520318 789755793 /nfs/dbraw/zinc/75/57/93/789755793.db2.gz CPKRPWJKJRPYCM-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn3c(n2)CCCC3)CC[C@@H]1C ZINC001071547642 789772573 /nfs/dbraw/zinc/77/25/73/789772573.db2.gz XEEUBAOKSLUOOM-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@@H]1C ZINC001071666791 789852876 /nfs/dbraw/zinc/85/28/76/789852876.db2.gz RELJXAZMNGQSMH-GXTWGEPZSA-N 0 3 304.390 2.025 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(Cl)cn2C)CC[C@H]1C ZINC001071670025 789853502 /nfs/dbraw/zinc/85/35/02/789853502.db2.gz DSGRIQZIZQYREW-OCCSQVGLSA-N 0 3 307.825 2.285 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)c1 ZINC001071813865 789927198 /nfs/dbraw/zinc/92/71/98/789927198.db2.gz FGDBDTLBKJWVGK-CZUORRHYSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(CC)cn2)CC[C@H]1C ZINC001071836684 789936569 /nfs/dbraw/zinc/93/65/69/789936569.db2.gz WKWSTCWMXJPTQM-QAPCUYQASA-N 0 3 313.445 2.179 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(CC)cn2)CC[C@@H]1C ZINC001071836686 789936853 /nfs/dbraw/zinc/93/68/53/789936853.db2.gz WKWSTCWMXJPTQM-YJBOKZPZSA-N 0 3 313.445 2.179 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@@H]1C ZINC001071848625 789942179 /nfs/dbraw/zinc/94/21/79/789942179.db2.gz VGDOVTWOGDJZGD-HNAYVOBHSA-N 0 3 310.441 2.394 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cncc(Cl)c2)CC[C@H]1C ZINC001071896514 789963287 /nfs/dbraw/zinc/96/32/87/789963287.db2.gz GMWKCLDFJFOTEC-IUODEOHRSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(OC)c2F)CC[C@@H]1C ZINC001071924037 789974537 /nfs/dbraw/zinc/97/45/37/789974537.db2.gz QZPXGZBSCATEIE-UONOGXRCSA-N 0 3 318.392 2.440 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)nn(CC)c2C)CC[C@@H]1C ZINC001071992047 790002247 /nfs/dbraw/zinc/00/22/47/790002247.db2.gz JASBOGAXXYRUOK-BBRMVZONSA-N 0 3 318.465 2.217 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)cn1 ZINC001072001082 790006903 /nfs/dbraw/zinc/00/69/03/790006903.db2.gz AAJAMQAVHZWWIX-BBRMVZONSA-N 0 3 303.381 2.005 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)COC3)CC[C@H]1C ZINC001072023084 790016374 /nfs/dbraw/zinc/01/63/74/790016374.db2.gz LKOXCKPRSWRPFC-KDOFPFPSSA-N 0 3 314.429 2.414 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2csc(CC)n2)CC[C@@H]1C ZINC001072099657 790052520 /nfs/dbraw/zinc/05/25/20/790052520.db2.gz VDWMDXWXBGYMHS-UONOGXRCSA-N 0 3 319.474 2.240 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(C)noc3CCC)C2)C1 ZINC001072731445 790232322 /nfs/dbraw/zinc/23/23/22/790232322.db2.gz CFEVUWJTPRDKLT-UHFFFAOYSA-N 0 3 303.406 2.269 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3CC)C2)C1 ZINC001072752664 790237564 /nfs/dbraw/zinc/23/75/64/790237564.db2.gz WAHZFRCVELBJIE-OAHLLOKOSA-N 0 3 316.449 2.117 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCC[C@H](OC)C3)C2)C1 ZINC001072805991 790252856 /nfs/dbraw/zinc/25/28/56/790252856.db2.gz XAECLPZHHDYRAC-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CC23CCCC3)ccc1F ZINC001146747317 791361115 /nfs/dbraw/zinc/36/11/15/791361115.db2.gz UKCLVOMMUXYSEG-HNNXBMFYSA-N 0 3 315.392 2.483 20 30 DEEDHN CC[C@@H](F)CN1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1 ZINC001091604280 791380584 /nfs/dbraw/zinc/38/05/84/791380584.db2.gz CQCUVBBVNDKSAT-XNJGSVPQSA-N 0 3 318.396 2.028 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001075046560 791441009 /nfs/dbraw/zinc/44/10/09/791441009.db2.gz WNAUMADWGUHTGU-GJZGRUSLSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2nccn2C)[C@H](C)C1 ZINC001075312662 791577981 /nfs/dbraw/zinc/57/79/81/791577981.db2.gz MKETVYVORMERRG-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001098268658 791599273 /nfs/dbraw/zinc/59/92/73/791599273.db2.gz FSTPXFFCNUBLON-LZQZEXGQSA-N 0 3 321.424 2.455 20 30 DEEDHN CCCc1nc(C(=O)NCCNCc2cccc(C#N)c2)co1 ZINC001147712198 791602764 /nfs/dbraw/zinc/60/27/64/791602764.db2.gz NKNBCGLTJOPXNK-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCN(C)c3ccccc3)C2)C1 ZINC001148457830 791749890 /nfs/dbraw/zinc/74/98/90/791749890.db2.gz BSXZHXNVCQNHEO-UHFFFAOYSA-N 0 3 313.445 2.233 20 30 DEEDHN CCCCCCCCCCC(=O)NCCN[C@H](C)C(=O)NC ZINC001148751342 791800845 /nfs/dbraw/zinc/80/08/45/791800845.db2.gz FXMDQOILZFUFFX-OAHLLOKOSA-N 0 3 313.486 2.358 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccccn3)C2)CC1 ZINC001086898949 791841566 /nfs/dbraw/zinc/84/15/66/791841566.db2.gz WMTGMEVJKJNYOL-INIZCTEOSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)c(F)cc3F)C[C@]2(C)C1 ZINC001091773175 791881953 /nfs/dbraw/zinc/88/19/53/791881953.db2.gz FBMTUHYLNKBHAL-ACJLOTCBSA-N 0 3 318.367 2.300 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3occc3CC)C[C@]2(C)C1 ZINC001091982131 791912523 /nfs/dbraw/zinc/91/25/23/791912523.db2.gz KMNVVUATFPFEBD-QAPCUYQASA-N 0 3 300.402 2.259 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccsc3Cl)C[C@]2(C)C1 ZINC001092073884 791929450 /nfs/dbraw/zinc/92/94/50/791929450.db2.gz ZZEYURBEUKYREE-ABAIWWIYSA-N 0 3 308.834 2.429 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3csc(C)c3)C[C@]2(C)C1 ZINC001092099357 791931933 /nfs/dbraw/zinc/93/19/33/791931933.db2.gz QXHTUJAVLLQURL-WBVHZDCISA-N 0 3 302.443 2.474 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)C[C@H](C)O4)C[C@]2(C)C1 ZINC001092101315 791932039 /nfs/dbraw/zinc/93/20/39/791932039.db2.gz WTPGNTUPWHLATD-NQYLQCIDSA-N 0 3 324.424 2.037 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@]2(C)C1 ZINC001092221599 791948905 /nfs/dbraw/zinc/94/89/05/791948905.db2.gz GTFCHWFTKIPXMR-PBHICJAKSA-N 0 3 302.805 2.367 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(OCC)cc3)C[C@]2(C)C1 ZINC001092242264 791952392 /nfs/dbraw/zinc/95/23/92/791952392.db2.gz JEJPINRUTWYPNF-APWZRJJASA-N 0 3 312.413 2.112 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(C(F)F)n2)C1 ZINC001098855642 791965553 /nfs/dbraw/zinc/96/55/53/791965553.db2.gz NRULWDJSDIIFNY-LRDDRELGSA-N 0 3 324.375 2.439 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccoc3C(C)C)C[C@]2(C)C1 ZINC001092311083 791976500 /nfs/dbraw/zinc/97/65/00/791976500.db2.gz HYMASBWCAWJADP-KDOFPFPSSA-N 0 3 300.402 2.430 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001092292029 791982041 /nfs/dbraw/zinc/98/20/41/791982041.db2.gz OEIWLVDYSVVXQD-HQRMLTQVSA-N 0 3 310.441 2.279 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CC)nnc2C)C1 ZINC001098957762 792000491 /nfs/dbraw/zinc/00/04/91/792000491.db2.gz IAJNPYJDYAVYAK-KSSFIOAISA-N 0 3 314.433 2.118 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2(C)CCCCC2)[C@@H](O)C1 ZINC001099913346 792047393 /nfs/dbraw/zinc/04/73/93/792047393.db2.gz GHABAANEQQRNNN-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OCC)C1CC1 ZINC001099079769 792079015 /nfs/dbraw/zinc/07/90/15/792079015.db2.gz IYMIIQYJNOPMHH-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C(C)C)nn2)C1 ZINC001099097349 792089843 /nfs/dbraw/zinc/08/98/43/792089843.db2.gz BSGKRZSCUUZKRH-YOEHRIQHSA-N 0 3 317.437 2.019 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)c1cc[nH]c1 ZINC001092626757 792102523 /nfs/dbraw/zinc/10/25/23/792102523.db2.gz OQCZWPMWJWHWBE-VQIMIIECSA-N 0 3 321.424 2.364 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2oc(C(F)F)cc2C)[C@H](C)C1 ZINC001092694173 792111932 /nfs/dbraw/zinc/11/19/32/792111932.db2.gz GPRZVQACLQRVIZ-VXGBXAGGSA-N 0 3 310.344 2.457 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1nc(C)no1 ZINC001099166209 792123290 /nfs/dbraw/zinc/12/32/90/792123290.db2.gz TZJXKHSYDQAIDQ-AWEZNQCLSA-N 0 3 320.437 2.103 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)[C@H](C)C1 ZINC001092753773 792124193 /nfs/dbraw/zinc/12/41/93/792124193.db2.gz VTMURLNBTPRSTK-IJEWVQPXSA-N 0 3 316.449 2.093 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001099181319 792128641 /nfs/dbraw/zinc/12/86/41/792128641.db2.gz YMCNFYFOWBLWSM-RZDRJOIRSA-N 0 3 300.446 2.435 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1C(F)(F)F ZINC001099246824 792150032 /nfs/dbraw/zinc/15/00/32/792150032.db2.gz ISIYFGGGGMATRK-VXGBXAGGSA-N 0 3 315.339 2.492 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1C(F)(F)F ZINC001099329983 792173283 /nfs/dbraw/zinc/17/32/83/792173283.db2.gz AWYHGEQNKXVQCM-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cccn1 ZINC001099345344 792177015 /nfs/dbraw/zinc/17/70/15/792177015.db2.gz XWSNDGIPDDDDMJ-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cn1ccnc1 ZINC001099357973 792182130 /nfs/dbraw/zinc/18/21/30/792182130.db2.gz CZDTXYDWKNNLII-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC001093174235 792274621 /nfs/dbraw/zinc/27/46/21/792274621.db2.gz IRJRDLJEQNQTFL-VXGBXAGGSA-N 0 3 308.784 2.410 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001093361972 792341017 /nfs/dbraw/zinc/34/10/17/792341017.db2.gz OKIFNDBYVCMMPX-SJORKVTESA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCCC(C)(C)C)[C@H](O)C1 ZINC001099844668 792378968 /nfs/dbraw/zinc/37/89/68/792378968.db2.gz LBUBCFHQNHFNNZ-HZPDHXFCSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCCC(C)(C)C)[C@@H](O)C1 ZINC001099844667 792379211 /nfs/dbraw/zinc/37/92/11/792379211.db2.gz LBUBCFHQNHFNNZ-HOTGVXAUSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100085894 792466950 /nfs/dbraw/zinc/46/69/50/792466950.db2.gz SOHKKFFJRWBMMY-IAGOWNOFSA-N 0 3 308.466 2.312 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCC2CCCCC2)[C@H](O)C1 ZINC001100096528 792471621 /nfs/dbraw/zinc/47/16/21/792471621.db2.gz ISDQCUCBTYXOKA-QZTJIDSGSA-N 0 3 320.477 2.312 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(CC=C)CCCCC2)[C@@H](O)C1 ZINC001100122966 792479148 /nfs/dbraw/zinc/47/91/48/792479148.db2.gz ZVIBIDIHLFVPAY-IRXDYDNUSA-N 0 3 318.461 2.088 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCC2CCCCCC2)[C@H](O)C1 ZINC001099926612 792483064 /nfs/dbraw/zinc/48/30/64/792483064.db2.gz PTONWLZMKMTBOD-QZTJIDSGSA-N 0 3 320.477 2.312 20 30 DEEDHN Cc1nc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c(C)s1 ZINC001093679092 792542098 /nfs/dbraw/zinc/54/20/98/792542098.db2.gz QOTSYDYYTOZKSI-JTNHKYCSSA-N 0 3 320.462 2.104 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3ccns3)C2)C1 ZINC001100662428 792774143 /nfs/dbraw/zinc/77/41/43/792774143.db2.gz WQTATKJQMDLTFS-UHFFFAOYSA-N 0 3 305.447 2.484 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CCOC)CCC2)C1 ZINC001100917633 792917185 /nfs/dbraw/zinc/91/71/85/792917185.db2.gz OCSNCTGJVBALRX-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnc4cc[nH]c4c3)CCC[C@@H]12 ZINC001094444691 792926130 /nfs/dbraw/zinc/92/61/30/792926130.db2.gz CVOWAKCIOXPDSE-IEBWSBKVSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cncc4[nH]ccc43)CCC[C@@H]12 ZINC001094459128 792934593 /nfs/dbraw/zinc/93/45/93/792934593.db2.gz DMYLDFVRKLNRBI-IEBWSBKVSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3c[nH]c4cccnc34)CCC[C@@H]12 ZINC001094559474 793001368 /nfs/dbraw/zinc/00/13/68/793001368.db2.gz VCLHHVMUMPBIQJ-VQIMIIECSA-N 0 3 322.412 2.171 20 30 DEEDHN C=CC[C@@H](N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171732489 793187186 /nfs/dbraw/zinc/18/71/86/793187186.db2.gz BDXKKUDMOMOVSP-BHYGNILZSA-N 0 3 302.418 2.357 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1cc(F)ccc1F ZINC001171757715 793197970 /nfs/dbraw/zinc/19/79/70/793197970.db2.gz NYTVQGHZCJFAQI-UHFFFAOYSA-N 0 3 318.751 2.192 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN([C@@H](C)c2cnccn2)C[C@H]1C ZINC001101805690 793387521 /nfs/dbraw/zinc/38/75/21/793387521.db2.gz ZXPDTEYBSVMDTH-QLFBSQMISA-N 0 3 302.422 2.188 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CN(Cc2ccccc2F)C[C@H]1C ZINC001101816590 793392839 /nfs/dbraw/zinc/39/28/39/793392839.db2.gz JVLUPLRJXHMSFA-GDBMZVCRSA-N 0 3 320.408 2.212 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC001172624788 793469094 /nfs/dbraw/zinc/46/90/94/793469094.db2.gz ZNEFCSUTZKXOKA-ZNMIVQPWSA-N 0 3 324.421 2.095 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102004859 793475648 /nfs/dbraw/zinc/47/56/48/793475648.db2.gz HUCAJHNBASAYAP-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102610629 793671827 /nfs/dbraw/zinc/67/18/27/793671827.db2.gz MEAVJJSUXQDCBI-KCPLHHHMSA-N 0 3 300.830 2.014 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCCO2)C1 ZINC001102705742 793721259 /nfs/dbraw/zinc/72/12/59/793721259.db2.gz QLNSSMKTKQYBGX-YUELXQCFSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCOC2)C1 ZINC001102809970 793768793 /nfs/dbraw/zinc/76/87/93/793768793.db2.gz OQCLJPWCQLAHAS-BPLDGKMQSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1ccccc1CC ZINC001175223576 794161233 /nfs/dbraw/zinc/16/12/33/794161233.db2.gz ADQKHAUPIAGZRK-UHFFFAOYSA-N 0 3 310.825 2.476 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1ccc2c(c1)CCC2 ZINC001175325033 794182103 /nfs/dbraw/zinc/18/21/03/794182103.db2.gz JVWAIAOZIDRSJE-UHFFFAOYSA-N 0 3 322.836 2.403 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1C ZINC001103839400 794252522 /nfs/dbraw/zinc/25/25/22/794252522.db2.gz KPKCGMRSEAMKST-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnns2)C1 ZINC001103978152 794335981 /nfs/dbraw/zinc/33/59/81/794335981.db2.gz WNDOEBRTSJLWFD-CHWSQXEVSA-N 0 3 308.451 2.079 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C)no2)C1 ZINC001104124148 794387827 /nfs/dbraw/zinc/38/78/27/794387827.db2.gz AHCHTOPUXOTJFG-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1C ZINC001104136040 794392591 /nfs/dbraw/zinc/39/25/91/794392591.db2.gz HXNVUJUQKWZBQT-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1C ZINC001104159916 794402066 /nfs/dbraw/zinc/40/20/66/794402066.db2.gz FNGYKYYRLXWVFK-JLLWLGSASA-N 0 3 306.784 2.468 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](Cc1ccccc1)OC ZINC001176537752 794449680 /nfs/dbraw/zinc/44/96/80/794449680.db2.gz DMJVNVKPLMOFQE-OAHLLOKOSA-N 0 3 310.825 2.093 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC001111666696 794451101 /nfs/dbraw/zinc/45/11/01/794451101.db2.gz JVNLMRVCXXOZQO-LJHODMEESA-N 0 3 322.412 2.189 20 30 DEEDHN Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C#N)C1 ZINC001111666489 794452535 /nfs/dbraw/zinc/45/25/35/794452535.db2.gz DBMXDSDJEJEGNQ-HFTRVMKXSA-N 0 3 312.417 2.020 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C(C)C)C1 ZINC001111702944 794458042 /nfs/dbraw/zinc/45/80/42/794458042.db2.gz YDKZOALAHGMBRB-YOEHRIQHSA-N 0 3 310.413 2.423 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCCOC2)C1 ZINC001111920504 794527311 /nfs/dbraw/zinc/52/73/11/794527311.db2.gz VKQYTAVOIVNCDP-AOIWGVFYSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCC)C1 ZINC001112157123 794564854 /nfs/dbraw/zinc/56/48/54/794564854.db2.gz SEANQIREXNFODU-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cnns2)C1 ZINC001112282389 794586590 /nfs/dbraw/zinc/58/65/90/794586590.db2.gz XJDHKPCMCODQRT-BBRMVZONSA-N 0 3 320.462 2.223 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC(C)C)cn1 ZINC001177567246 794700243 /nfs/dbraw/zinc/70/02/43/794700243.db2.gz GICYHGVYFWZLHX-UHFFFAOYSA-N 0 3 311.813 2.331 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCOc1ccccc1 ZINC001115356650 794743269 /nfs/dbraw/zinc/74/32/69/794743269.db2.gz NMTXDYZQMVWSEH-DZJNRPSUSA-N 0 3 314.429 2.324 20 30 DEEDHN CN(CCN(C)C(=O)C#Cc1ccccn1)Cc1ccccc1 ZINC001177802338 794755705 /nfs/dbraw/zinc/75/57/05/794755705.db2.gz FSRGSXFNLZBTMU-UHFFFAOYSA-N 0 3 307.397 2.024 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001177918025 794777038 /nfs/dbraw/zinc/77/70/38/794777038.db2.gz OSNPQEDURFJLQR-SNVBAGLBSA-N 0 3 311.370 2.018 20 30 DEEDHN CS[C@@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178175524 794852383 /nfs/dbraw/zinc/85/23/83/794852383.db2.gz XUOPUONROAVRBE-ZOBUZTSGSA-N 0 3 316.470 2.369 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](NCc2ccns2)[C@@H]1C ZINC001178279300 794881468 /nfs/dbraw/zinc/88/14/68/794881468.db2.gz VFYZOMHEKTVTJO-GUTXKFCHSA-N 0 3 323.462 2.203 20 30 DEEDHN C[C@@H](C(=O)NCC1(NCC#N)CCCCC1)N1CCCCCC1 ZINC001115759978 794910865 /nfs/dbraw/zinc/91/08/65/794910865.db2.gz HRSHOMCBWXODAP-INIZCTEOSA-N 0 3 320.481 2.183 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001116444610 794956701 /nfs/dbraw/zinc/95/67/01/794956701.db2.gz ZZQLQYJAYKJTRB-MRXNPFEDSA-N 0 3 312.413 2.189 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)c1cnc[n-]c1=O ZINC001178786923 794994250 /nfs/dbraw/zinc/99/42/50/794994250.db2.gz XVWLWRTWXXJDIM-CQSZACIVSA-N 0 3 320.437 2.417 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(CC)CC)[C@@H]1C ZINC001178806042 794999990 /nfs/dbraw/zinc/99/99/90/794999990.db2.gz SEDVFPFPIKLWPK-PMPSAXMXSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCC(=O)NCC(C)(C)C)[C@@H]1C ZINC001178805675 795000442 /nfs/dbraw/zinc/00/04/42/795000442.db2.gz JOVDENRZTNYMBL-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cn2cccc2)cc1 ZINC001117781823 795105753 /nfs/dbraw/zinc/10/57/53/795105753.db2.gz KZYCBEWRHAWAPO-UHFFFAOYSA-N 0 3 309.413 2.221 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCCCCNCc2nnc(C)[nH]2)C1 ZINC001179532916 795126496 /nfs/dbraw/zinc/12/64/96/795126496.db2.gz BIOSCVZRFWMPRH-UHFFFAOYSA-N 0 3 319.453 2.236 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCCCC)[C@H]1C ZINC001180059021 795233420 /nfs/dbraw/zinc/23/34/20/795233420.db2.gz KKIKADBFUVDBLB-JYJNAYRXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001180268435 795267573 /nfs/dbraw/zinc/26/75/73/795267573.db2.gz AYEPQFXFCLPHBZ-MJBXVCDLSA-N 0 3 323.462 2.122 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001180268474 795267855 /nfs/dbraw/zinc/26/78/55/795267855.db2.gz BYDYFBZCILUVAT-ZOWXZIJZSA-N 0 3 323.462 2.122 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001180268473 795267866 /nfs/dbraw/zinc/26/78/66/795267866.db2.gz BYDYFBZCILUVAT-HUBLWGQQSA-N 0 3 323.462 2.122 20 30 DEEDHN C[C@@H]1CN(C(=O)C(F)F)C[C@@]1(C)CNCc1ccccc1C#N ZINC001180361624 795280419 /nfs/dbraw/zinc/28/04/19/795280419.db2.gz YLASTUMLTGUUIV-SJKOYZFVSA-N 0 3 321.371 2.398 20 30 DEEDHN CCOc1ccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c(O)c1 ZINC001119516056 795316557 /nfs/dbraw/zinc/31/65/57/795316557.db2.gz NPEGMBATRWEHIZ-KBPBESRZSA-N 0 3 303.406 2.209 20 30 DEEDHN C#CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001180640795 795351597 /nfs/dbraw/zinc/35/15/97/795351597.db2.gz ZLFYQOPBPCSMSE-RDTXWAMCSA-N 0 3 300.402 2.103 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)c1ccc(Br)cc1 ZINC001120272267 795432932 /nfs/dbraw/zinc/43/29/32/795432932.db2.gz CNYIGHSVBUBSIT-STQMWFEESA-N 0 3 300.196 2.273 20 30 DEEDHN CCOCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181199621 795437276 /nfs/dbraw/zinc/43/72/76/795437276.db2.gz WLKNZXKTZLGIKB-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)COCC)C1 ZINC001120307909 795438141 /nfs/dbraw/zinc/43/81/41/795438141.db2.gz CGLLUQKBMYEMCQ-GJZGRUSLSA-N 0 3 314.857 2.478 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cccc(NC(C)=O)c2)C1 ZINC001181510782 795482831 /nfs/dbraw/zinc/48/28/31/795482831.db2.gz FAGSBDVLDDNWMR-QGZVFWFLSA-N 0 3 315.417 2.302 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cccnc2C)C1 ZINC001181890893 795557208 /nfs/dbraw/zinc/55/72/08/795557208.db2.gz SMEPWOPSGOPWNA-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001121497471 795640761 /nfs/dbraw/zinc/64/07/61/795640761.db2.gz RUHYQXJFVXMNEI-QLFBSQMISA-N 0 3 301.438 2.120 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CC2(CC(NCc3ccn(C)n3)C2)C1 ZINC001121522922 795643226 /nfs/dbraw/zinc/64/32/26/795643226.db2.gz SFUNCQVZOHOLRR-UHFFFAOYSA-N 0 3 316.449 2.149 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC001121852472 795695688 /nfs/dbraw/zinc/69/56/88/795695688.db2.gz XQQJSOKHDLFKBW-HNNXBMFYSA-N 0 3 303.406 2.447 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC001121965521 795710260 /nfs/dbraw/zinc/71/02/60/795710260.db2.gz LZJAXLFZWOMRAP-SOUVJXGZSA-N 0 3 311.470 2.225 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1nc2c(cccc2C)o1 ZINC001121967391 795710278 /nfs/dbraw/zinc/71/02/78/795710278.db2.gz POOGXUKLGHBUAI-ZDUSSCGKSA-N 0 3 301.390 2.479 20 30 DEEDHN CN1CCC[C@](C)(NC(=O)Cc2c[nH]c3cccc(C#N)c23)C1 ZINC001182585616 795710820 /nfs/dbraw/zinc/71/08/20/795710820.db2.gz DVJXKTYZDUIWEP-SFHVURJKSA-N 0 3 310.401 2.183 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001122130710 795729023 /nfs/dbraw/zinc/72/90/23/795729023.db2.gz NXNGBMYNEKPRQJ-DLBZAZTESA-N 0 3 312.417 2.424 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001122331553 795748437 /nfs/dbraw/zinc/74/84/37/795748437.db2.gz NXVFWWGEDMLEIK-GJZGRUSLSA-N 0 3 300.402 2.462 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001182893659 795775553 /nfs/dbraw/zinc/77/55/53/795775553.db2.gz LSMSPVWCOQUCQF-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001183562026 795889128 /nfs/dbraw/zinc/88/91/28/795889128.db2.gz KEYUIPSBCRGZLM-OAHLLOKOSA-N 0 3 304.821 2.405 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@H]2CC=CCC2)cc1C#N ZINC001123381340 795903652 /nfs/dbraw/zinc/90/36/52/795903652.db2.gz LEFLRELYXPUUQQ-OAHLLOKOSA-N 0 3 313.401 2.129 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cc(OC)no2)[C@@H](C)C1 ZINC001184078510 795989337 /nfs/dbraw/zinc/98/93/37/795989337.db2.gz PDZMQTRMHKYBAJ-UONOGXRCSA-N 0 3 321.421 2.224 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)/C=C\C(C)(C)C ZINC001124930961 796095410 /nfs/dbraw/zinc/09/54/10/796095410.db2.gz SICUKUURVLQSAK-FJVVXJACSA-N 0 3 323.481 2.108 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)OCc2cccc(C)c2)C1 ZINC001184646002 796099580 /nfs/dbraw/zinc/09/95/80/796099580.db2.gz PEUUQRZJXNIMEV-FUHWJXTLSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1 ZINC001184686429 796112828 /nfs/dbraw/zinc/11/28/28/796112828.db2.gz RAGWYYVSKSCPJG-GFCCVEGCSA-N 0 3 315.398 2.231 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001184815176 796132194 /nfs/dbraw/zinc/13/21/94/796132194.db2.gz MGBYGQLEOBZOOG-JKSUJKDBSA-N 0 3 312.413 2.157 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001185063293 796172785 /nfs/dbraw/zinc/17/27/85/796172785.db2.gz YWWYGYCVUOOVNQ-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(CCCNC3=O)CC2)cc1 ZINC001138557831 796235129 /nfs/dbraw/zinc/23/51/29/796235129.db2.gz QRGNHZBUXYFWKV-UHFFFAOYSA-N 0 3 312.413 2.191 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202845582 796241113 /nfs/dbraw/zinc/24/11/13/796241113.db2.gz DJZAGDODUYDQQU-CABCVRRESA-N 0 3 317.458 2.464 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)o2)C12CCC2 ZINC001202847448 796244594 /nfs/dbraw/zinc/24/45/94/796244594.db2.gz SRZQWJWUWHNFIB-CVEARBPZSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001138626333 796246210 /nfs/dbraw/zinc/24/62/10/796246210.db2.gz FOLPUPWBKIFZAP-GOSISDBHSA-N 0 3 300.402 2.223 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001138626333 796246215 /nfs/dbraw/zinc/24/62/15/796246215.db2.gz FOLPUPWBKIFZAP-GOSISDBHSA-N 0 3 300.402 2.223 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202855462 796258058 /nfs/dbraw/zinc/25/80/58/796258058.db2.gz HOJXMMQVKUMQKC-QWHCGFSZSA-N 0 3 322.840 2.112 20 30 DEEDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2C#N)CN1C1CC1 ZINC001185766507 796312239 /nfs/dbraw/zinc/31/22/39/796312239.db2.gz JKNLTXJGBMRFPL-VHSXEESVSA-N 0 3 301.350 2.086 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cnn(CCC)c3)C2)C1=O ZINC001139038602 796312369 /nfs/dbraw/zinc/31/23/69/796312369.db2.gz GNUNLDIYKUMCLP-SFHVURJKSA-N 0 3 316.449 2.294 20 30 DEEDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2C#N)CN1C1CC1 ZINC001185766509 796312357 /nfs/dbraw/zinc/31/23/57/796312357.db2.gz JKNLTXJGBMRFPL-ZJUUUORDSA-N 0 3 301.350 2.086 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](n2cc(CNCC(C)C)nn2)C1 ZINC001185907963 796332194 /nfs/dbraw/zinc/33/21/94/796332194.db2.gz SIKPCQFUKNXSTG-INIZCTEOSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)NCc1cccc(OC)c1 ZINC001186228933 796376509 /nfs/dbraw/zinc/37/65/09/796376509.db2.gz PDKPLICHGBGHEE-HNNXBMFYSA-N 0 3 303.406 2.145 20 30 DEEDHN O=C1C=C2CN(Cc3cn4c(cccc4F)n3)CCC2S1 ZINC001139568259 796396883 /nfs/dbraw/zinc/39/68/83/796396883.db2.gz LCMAVOXXCLCKHH-LBPRGKRZSA-N 0 3 303.362 2.248 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)C1 ZINC001186738671 796436829 /nfs/dbraw/zinc/43/68/29/796436829.db2.gz INQXHBNOUVZHRJ-MRXNPFEDSA-N 0 3 309.369 2.169 20 30 DEEDHN CN1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]2C[C@@H]2C#N)CC1 ZINC001186977460 796468607 /nfs/dbraw/zinc/46/86/07/796468607.db2.gz SLYQESOJLXNREZ-RHSMWYFYSA-N 0 3 315.392 2.408 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC4(COC(=O)N4)CC3)c2c1 ZINC001140115506 796479007 /nfs/dbraw/zinc/47/90/07/796479007.db2.gz DLZDQMLSBIRDGY-UHFFFAOYSA-N 0 3 310.357 2.114 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccncc1[O-])C2 ZINC001140276103 796498989 /nfs/dbraw/zinc/49/89/89/796498989.db2.gz CTBNRUQMFWFOSI-NVXWUHKLSA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccncc1[O-])C2 ZINC001140276103 796498992 /nfs/dbraw/zinc/49/89/92/796498992.db2.gz CTBNRUQMFWFOSI-NVXWUHKLSA-N 0 3 304.390 2.113 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001187307158 796522442 /nfs/dbraw/zinc/52/24/42/796522442.db2.gz XDHINIPGTIBUQF-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001188010320 796609394 /nfs/dbraw/zinc/60/93/94/796609394.db2.gz QPXVPWQCXQIXHI-DOTOQJQBSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001188287045 796655628 /nfs/dbraw/zinc/65/56/28/796655628.db2.gz CSCNNLCDBINOAP-CQSZACIVSA-N 0 3 324.371 2.248 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OC)c(OCC)c1 ZINC000838623996 796672099 /nfs/dbraw/zinc/67/20/99/796672099.db2.gz BDRDROHPZDRKCN-UHFFFAOYSA-N 0 3 319.405 2.171 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)CCOc2ccccc2)C1 ZINC001188455264 796673943 /nfs/dbraw/zinc/67/39/43/796673943.db2.gz SZXDUPKFDAKZNT-IAGOWNOFSA-N 0 3 314.429 2.305 20 30 DEEDHN CCCOCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189242025 796789307 /nfs/dbraw/zinc/78/93/07/796789307.db2.gz CUABBHJRVMBKJJ-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001189361951 796819119 /nfs/dbraw/zinc/81/91/19/796819119.db2.gz FGOHLYXJHSVCMB-HNNXBMFYSA-N 0 3 308.447 2.292 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H]2CN(CC=C(C)C)CCCO2)CCC1 ZINC001149835728 796899110 /nfs/dbraw/zinc/89/91/10/796899110.db2.gz ORPUUGHRIWQMBA-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001149921639 796906055 /nfs/dbraw/zinc/90/60/55/796906055.db2.gz RINDKSIPLCADBD-RDJZCZTQSA-N 0 3 312.429 2.135 20 30 DEEDHN CN(C[C@H]1CC(C)(C)CO1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084416 796935417 /nfs/dbraw/zinc/93/54/17/796935417.db2.gz MWSHFGJUZYTPFM-HZPDHXFCSA-N 0 3 320.477 2.384 20 30 DEEDHN CN(C[C@H]1CC(C)(C)CO1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084417 796935656 /nfs/dbraw/zinc/93/56/56/796935656.db2.gz MWSHFGJUZYTPFM-JKSUJKDBSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001150508501 796949317 /nfs/dbraw/zinc/94/93/17/796949317.db2.gz UVEGNGDRXOTYPG-SJLPKXTDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001150685359 796968897 /nfs/dbraw/zinc/96/88/97/796968897.db2.gz LCUYZDOTDFTBQA-QGZVFWFLSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccc(C)s2)C1 ZINC001150776887 796977111 /nfs/dbraw/zinc/97/71/11/796977111.db2.gz BASDIHUSCZUAKV-HNNXBMFYSA-N 0 3 322.474 2.382 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H](F)CC)CC1 ZINC001151247707 797026975 /nfs/dbraw/zinc/02/69/75/797026975.db2.gz CEKFGMRUUOTSMF-AWEZNQCLSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2cccs2)C1 ZINC001190668371 797043308 /nfs/dbraw/zinc/04/33/08/797043308.db2.gz SHFFGUZJABRWAT-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2nc(C)sc2C)C1 ZINC001190867976 797098659 /nfs/dbraw/zinc/09/86/59/797098659.db2.gz FSFOBEGQWQJFTB-CQSZACIVSA-N 0 3 323.462 2.109 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@H](N(C)CCOC)C2)cc1 ZINC001190973472 797116979 /nfs/dbraw/zinc/11/69/79/797116979.db2.gz OBZGATJZPQVTMQ-INIZCTEOSA-N 0 3 318.417 2.044 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001191018901 797126112 /nfs/dbraw/zinc/12/61/12/797126112.db2.gz GJEPOPOXKYNTIB-CYBMUJFWSA-N 0 3 301.862 2.002 20 30 DEEDHN Cc1ccc(CCC(=O)NCCNCc2cccc(C#N)c2)o1 ZINC001152267968 797164125 /nfs/dbraw/zinc/16/41/25/797164125.db2.gz WRBDMFDAMWQZIM-UHFFFAOYSA-N 0 3 311.385 2.298 20 30 DEEDHN Cc1ccc(C)n1[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001152348644 797174864 /nfs/dbraw/zinc/17/48/64/797174864.db2.gz QYKXLNKYOGOEDJ-INIZCTEOSA-N 0 3 324.428 2.444 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152370967 797178818 /nfs/dbraw/zinc/17/88/18/797178818.db2.gz WFTCFEYUMKWREO-OAHLLOKOSA-N 0 3 315.417 2.087 20 30 DEEDHN C=CCCOCC(=O)NCCNCc1ccccc1OC(C)C ZINC001153081639 797281999 /nfs/dbraw/zinc/28/19/99/797281999.db2.gz VPLJDOAFMDSZIV-UHFFFAOYSA-N 0 3 320.433 2.272 20 30 DEEDHN C=CCCOCC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001153091398 797283926 /nfs/dbraw/zinc/28/39/26/797283926.db2.gz LXZONCQKHMVBBX-LBPRGKRZSA-N 0 3 312.360 2.324 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001192125272 797323243 /nfs/dbraw/zinc/32/32/43/797323243.db2.gz GHMJJKVPQHDYPA-QWHCGFSZSA-N 0 3 322.371 2.310 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001153452281 797340077 /nfs/dbraw/zinc/34/00/77/797340077.db2.gz PAYAIVBEXVXWCE-ZJPYXAASSA-N 0 3 318.461 2.065 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)CCOCC(F)F)C2)C1 ZINC001192256682 797343842 /nfs/dbraw/zinc/34/38/42/797343842.db2.gz JBQNUZQUHWDBTK-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001153549447 797351712 /nfs/dbraw/zinc/35/17/12/797351712.db2.gz UQCDIBWPMWJSRD-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001153549447 797351719 /nfs/dbraw/zinc/35/17/19/797351719.db2.gz UQCDIBWPMWJSRD-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001153549499 797352460 /nfs/dbraw/zinc/35/24/60/797352460.db2.gz VTSOPTYRAYMKAN-HUUCEWRRSA-N 0 3 320.408 2.443 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001192316059 797360993 /nfs/dbraw/zinc/36/09/93/797360993.db2.gz NEFPUHXUVDGAHG-GJZGRUSLSA-N 0 3 306.406 2.118 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc2sccc2c1 ZINC001192469969 797389081 /nfs/dbraw/zinc/38/90/81/797389081.db2.gz KBGQXOVMNKHOGZ-NSHDSACASA-N 0 3 303.343 2.478 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001153768944 797390216 /nfs/dbraw/zinc/39/02/16/797390216.db2.gz KSCGNWSYIYWSBF-CQSZACIVSA-N 0 3 316.449 2.244 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)N[C@H](C)CC)CCCC1 ZINC001153809070 797400224 /nfs/dbraw/zinc/40/02/24/797400224.db2.gz AJWSVCFBCDHYPN-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sc2nccn2c1C ZINC001153858039 797411713 /nfs/dbraw/zinc/41/17/13/797411713.db2.gz HIMLKMJRCVWVEB-GFCCVEGCSA-N 0 3 318.446 2.168 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C2CC2)nn1CC ZINC001153962217 797431759 /nfs/dbraw/zinc/43/17/59/797431759.db2.gz FHXJEKAHEQBPLJ-CQSZACIVSA-N 0 3 316.449 2.244 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)C2CCCC2)c1 ZINC001154090192 797460534 /nfs/dbraw/zinc/46/05/34/797460534.db2.gz KNOVGRGBBALJJF-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncn2ccc(C)cc12 ZINC001154107864 797465351 /nfs/dbraw/zinc/46/53/51/797465351.db2.gz UFLGAQYXZAGOPP-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc2ccc(C)cn12 ZINC001154292852 797505035 /nfs/dbraw/zinc/50/50/35/797505035.db2.gz IZVFTIJBPKQTFQ-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nc(C)n2ccccc12 ZINC001154298501 797506481 /nfs/dbraw/zinc/50/64/81/797506481.db2.gz PAVQLBSUZVHMJF-CQSZACIVSA-N 0 3 312.417 2.106 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2ccccc2[nH]c1=O ZINC001154533223 797555778 /nfs/dbraw/zinc/55/57/78/797555778.db2.gz RJGGVAHFAKJBDX-CYBMUJFWSA-N 0 3 311.385 2.014 20 30 DEEDHN CC(C)SCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001154802919 797614285 /nfs/dbraw/zinc/61/42/85/797614285.db2.gz PQBOUCMGOHAMLP-UHFFFAOYSA-N 0 3 323.437 2.435 20 30 DEEDHN Cc1ccc([C@@H](C#N)c2ccc(-n3cnc(CN)c3)nn2)cc1 ZINC001154905173 797637007 /nfs/dbraw/zinc/63/70/07/797637007.db2.gz AGTUQGAJZHCAEI-OAHLLOKOSA-N 0 3 304.357 2.085 20 30 DEEDHN CCOCCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001154968158 797649936 /nfs/dbraw/zinc/64/99/36/797649936.db2.gz DFHVYUDBHCCJJO-UHFFFAOYSA-N 0 3 321.396 2.110 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2nc(CCC)no2)C1 ZINC001194011600 797662178 /nfs/dbraw/zinc/66/21/78/797662178.db2.gz VNACUJYCMPOEOZ-CQSZACIVSA-N 0 3 320.437 2.064 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)COc2ccccc2)C1 ZINC001194062101 797671507 /nfs/dbraw/zinc/67/15/07/797671507.db2.gz YZYIOPAZFRHWMP-CVEARBPZSA-N 0 3 302.418 2.420 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2nc(C)c(C)s2)C1 ZINC001194097705 797681114 /nfs/dbraw/zinc/68/11/14/797681114.db2.gz FPVQHORGYPWFMN-AWEZNQCLSA-N 0 3 323.462 2.109 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2)C1 ZINC001194152047 797683890 /nfs/dbraw/zinc/68/38/90/797683890.db2.gz OVKLWEDYCCDDET-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1ccn(C(C)C)n1 ZINC001155456347 797761396 /nfs/dbraw/zinc/76/13/96/797761396.db2.gz UBSCEDXUEJWXKP-HNNXBMFYSA-N 0 3 322.453 2.041 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(=O)OC ZINC001155475867 797765986 /nfs/dbraw/zinc/76/59/86/797765986.db2.gz VEWMSAKQPKRANR-KBXIAJHMSA-N 0 3 310.438 2.262 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001110463241 797794969 /nfs/dbraw/zinc/79/49/69/797794969.db2.gz YEMVDGQXVYIIAQ-TVFCKZIOSA-N 0 3 318.461 2.471 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCn1ccnc1C(C)C ZINC001155607384 797803732 /nfs/dbraw/zinc/80/37/32/797803732.db2.gz OPFOVONVVGGDPY-MRXNPFEDSA-N 0 3 318.465 2.247 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1oc(C2CC2)nc1C ZINC001155704666 797831972 /nfs/dbraw/zinc/83/19/72/797831972.db2.gz XYXCTXKZWHWHPQ-GFCCVEGCSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001195173942 797851513 /nfs/dbraw/zinc/85/15/13/797851513.db2.gz HDKVDCHUBSIUIU-CABCVRRESA-N 0 3 300.418 2.250 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@H]1O ZINC001195287813 797872063 /nfs/dbraw/zinc/87/20/63/797872063.db2.gz VDOJIEYKLFZYCE-IAGOWNOFSA-N 0 3 316.445 2.177 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)CN1CCC(C)CC1 ZINC001155994472 797900792 /nfs/dbraw/zinc/90/07/92/797900792.db2.gz VFAJBVOMBOOGHR-OAHLLOKOSA-N 0 3 315.889 2.297 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001156020743 797906402 /nfs/dbraw/zinc/90/64/02/797906402.db2.gz IZHULTNNPJKZQU-NVXWUHKLSA-N 0 3 301.434 2.281 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCc1ccn(C(C)C)n1 ZINC001156167034 797937403 /nfs/dbraw/zinc/93/74/03/797937403.db2.gz YQEJIJSWJSEVAH-UHFFFAOYSA-N 0 3 322.453 2.043 20 30 DEEDHN C[C@@H](C(=O)NCCCNCc1ccc(C#N)cc1F)C1CC1 ZINC001156250300 797958469 /nfs/dbraw/zinc/95/84/69/797958469.db2.gz UGFZHJCCQBVCAX-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001195805967 797966578 /nfs/dbraw/zinc/96/65/78/797966578.db2.gz ITBIBQRJECROLK-IAGOWNOFSA-N 0 3 314.429 2.320 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001195806478 797966635 /nfs/dbraw/zinc/96/66/35/797966635.db2.gz DEABBVIGSUMGKW-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCCc2csc(C)n2)CC1 ZINC001195865047 797977855 /nfs/dbraw/zinc/97/78/55/797977855.db2.gz GTFPOAXERPWKEJ-UHFFFAOYSA-N 0 3 319.474 2.332 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001196004301 797990950 /nfs/dbraw/zinc/99/09/50/797990950.db2.gz MGTMWPFVQDOWQQ-YWTNHNAXSA-N 0 3 320.477 2.474 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001156601961 798039877 /nfs/dbraw/zinc/03/98/77/798039877.db2.gz KLIFXUSWNWMMDV-CQSZACIVSA-N 0 3 315.417 2.109 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1OCc2ccccc21 ZINC001156641617 798050008 /nfs/dbraw/zinc/05/00/08/798050008.db2.gz IJUZDZNZDLODPI-RHSMWYFYSA-N 0 3 300.402 2.108 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](O)c1cccc(F)c1 ZINC001156672066 798059160 /nfs/dbraw/zinc/05/91/60/798059160.db2.gz DZKTWWZPVSMMTQ-INIZCTEOSA-N 0 3 308.397 2.216 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001156672740 798059315 /nfs/dbraw/zinc/05/93/15/798059315.db2.gz WSIVEJLUNKGGQT-INIZCTEOSA-N 0 3 308.397 2.480 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C2OCCO2)cc1 ZINC001156680444 798061846 /nfs/dbraw/zinc/06/18/46/798061846.db2.gz ZZXWLOZBJPAPII-UHFFFAOYSA-N 0 3 318.417 2.312 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC001156767046 798079280 /nfs/dbraw/zinc/07/92/80/798079280.db2.gz LBCDNOOCWDZVPA-CVEARBPZSA-N 0 3 302.418 2.222 20 30 DEEDHN C#CCCCCC(=O)NCCCN[C@@H](C)c1cnc(C)cn1 ZINC001156817065 798086624 /nfs/dbraw/zinc/08/66/24/798086624.db2.gz XUXQZKMKENMSIP-HNNXBMFYSA-N 0 3 302.422 2.136 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccc(C)cc1C ZINC001156833487 798091704 /nfs/dbraw/zinc/09/17/04/798091704.db2.gz DNVMRPCYNQTXPR-MRXNPFEDSA-N 0 3 302.418 2.142 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001196790571 798106146 /nfs/dbraw/zinc/10/61/46/798106146.db2.gz OQAAQVOYUHZXEQ-YLFCFFPRSA-N 0 3 308.466 2.164 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001156982507 798123184 /nfs/dbraw/zinc/12/31/84/798123184.db2.gz GYALIGZOOURNCQ-CYBMUJFWSA-N 0 3 314.389 2.133 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001157063540 798136517 /nfs/dbraw/zinc/13/65/17/798136517.db2.gz UNEBIBHPRABLNL-JKSUJKDBSA-N 0 3 316.445 2.334 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001157224369 798165693 /nfs/dbraw/zinc/16/56/93/798165693.db2.gz WGNIAZKYBPJKQT-LSDHHAIUSA-N 0 3 304.409 2.464 20 30 DEEDHN CCCCN(CC#N)C(=O)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001197609207 798209760 /nfs/dbraw/zinc/20/97/60/798209760.db2.gz ZQLZWMBTONEPTF-QGZVFWFLSA-N 0 3 315.417 2.019 20 30 DEEDHN C=CC1(CC(=O)N[C@@H](CO)CN2CCCCC2)CCCCC1 ZINC001157547504 798226074 /nfs/dbraw/zinc/22/60/74/798226074.db2.gz ARWTYBSJDOEHBR-MRXNPFEDSA-N 0 3 308.466 2.476 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2ncccc2OC)CC1 ZINC001197951444 798261640 /nfs/dbraw/zinc/26/16/40/798261640.db2.gz UDRVXRNXULORCO-UHFFFAOYSA-N 0 3 303.406 2.204 20 30 DEEDHN C=C[C@H](CC(=O)N1CCCN(C[C@H](C)O)CC1)c1ccccc1 ZINC001198205204 798294174 /nfs/dbraw/zinc/29/41/74/798294174.db2.gz PGENCRPVFDYUSJ-DLBZAZTESA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001198342968 798319517 /nfs/dbraw/zinc/31/95/17/798319517.db2.gz CYESEQJUTDSUOX-OAHLLOKOSA-N 0 3 322.474 2.416 20 30 DEEDHN CCN(Cc1ccccc1N(C)C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449925 798339396 /nfs/dbraw/zinc/33/93/96/798339396.db2.gz MIQFEBJVOPYQHE-LSDHHAIUSA-N 0 3 316.449 2.239 20 30 DEEDHN C=CCCC(=O)NC[C@H](NCCCOC)c1ccccc1OC ZINC001198596313 798364374 /nfs/dbraw/zinc/36/43/74/798364374.db2.gz PZUFWCZVRGIDGD-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(C2CCC2)cnn1C ZINC001158450631 798410670 /nfs/dbraw/zinc/41/06/70/798410670.db2.gz WZUFWHLAKVDEID-UHFFFAOYSA-N 0 3 310.829 2.150 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001158491633 798415982 /nfs/dbraw/zinc/41/59/82/798415982.db2.gz VCCGQDATGXJJEV-BZUAXINKSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CCCCC)C[C@H]1O)c1ccccc1 ZINC001198955825 798420825 /nfs/dbraw/zinc/42/08/25/798420825.db2.gz JVWFIESDVMFGIK-KZNAEPCWSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC(C)C)C[C@H]2O)CCCCC1 ZINC001198950794 798425158 /nfs/dbraw/zinc/42/51/58/798425158.db2.gz WWUGPLKEYYIJCI-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN CSCCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199247397 798457693 /nfs/dbraw/zinc/45/76/93/798457693.db2.gz XVFMOQPNKAERJN-UHFFFAOYSA-N 0 3 317.458 2.392 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2nccn2c1 ZINC001158739839 798460996 /nfs/dbraw/zinc/46/09/96/798460996.db2.gz UXUZHSFKDNIYGF-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1cc(OC)ccn1 ZINC001158746887 798462397 /nfs/dbraw/zinc/46/23/97/798462397.db2.gz KXZUDGBIUHPQQQ-UHFFFAOYSA-N 0 3 317.433 2.455 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCC(=O)N(CC)CC ZINC001158914319 798489349 /nfs/dbraw/zinc/48/93/49/798489349.db2.gz NBWSGOYOIQXAEK-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@@H]1CN(CCC)C[C@H]1O)c1ccccc1 ZINC001199566452 798500251 /nfs/dbraw/zinc/50/02/51/798500251.db2.gz ATBHVWUYQRRONZ-KZNAEPCWSA-N 0 3 316.445 2.308 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnn(C(C)(C)C)c1C ZINC001159355295 798556091 /nfs/dbraw/zinc/55/60/91/798556091.db2.gz AZPALCHFJUXYBM-UHFFFAOYSA-N 0 3 312.845 2.409 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2scnc2C)CC1 ZINC001159375379 798558563 /nfs/dbraw/zinc/55/85/63/798558563.db2.gz WAKINADDJVLAIG-UHFFFAOYSA-N 0 3 303.431 2.227 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC001200156168 798588789 /nfs/dbraw/zinc/58/87/89/798588789.db2.gz RFDRAGGULIFROM-UHFFFAOYSA-N 0 3 316.449 2.177 20 30 DEEDHN COC[C@@H](C)[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001159686738 798596391 /nfs/dbraw/zinc/59/63/91/798596391.db2.gz VNMWWUDVIKOWKV-CABCVRRESA-N 0 3 317.433 2.073 20 30 DEEDHN Cc1nsc(NC(=S)NCCN2CCCCC2)c1C#N ZINC001200417262 798623905 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C=CCOCc1nn(CC2CC2)c2c1CN(CCCOC)CC2 ZINC001209049560 801120939 /nfs/dbraw/zinc/12/09/39/801120939.db2.gz JLEIZUIADNXRBR-UHFFFAOYSA-N 0 3 319.449 2.390 20 30 DEEDHN C=CCCCN1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001209161554 801139691 /nfs/dbraw/zinc/13/96/91/801139691.db2.gz MEQSDEMMOZTONT-UHFFFAOYSA-N 0 3 316.449 2.011 20 30 DEEDHN C#CCCCN1CCC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC001209266483 801162186 /nfs/dbraw/zinc/16/21/86/801162186.db2.gz REXHYTPLBVAYNU-DLBZAZTESA-N 0 3 310.397 2.049 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001209346691 801172966 /nfs/dbraw/zinc/17/29/66/801172966.db2.gz WDSMAPDSVFAWHI-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)CCC ZINC001229354835 801262109 /nfs/dbraw/zinc/26/21/09/801262109.db2.gz OFRGURXNIAJORN-ARFHVFGLSA-N 0 3 323.481 2.132 20 30 DEEDHN CCN(CC)C[C@H](C)Oc1ccc(O)c2c1C(=O)C=CC2=O ZINC001229406288 801271811 /nfs/dbraw/zinc/27/18/11/801271811.db2.gz PUAZQGNZAMMHGG-NSHDSACASA-N 0 3 303.358 2.437 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N[C@H](C)CC)C1 ZINC001209866211 801298203 /nfs/dbraw/zinc/29/82/03/801298203.db2.gz PRNLIYGSZNAKQJ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001230328296 801388284 /nfs/dbraw/zinc/38/82/84/801388284.db2.gz ZEFGQQYEMQQWSY-DJIMGWMZSA-N 0 3 317.433 2.190 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CCc2ccc(C)o2)CC1 ZINC001230354480 801391446 /nfs/dbraw/zinc/39/14/46/801391446.db2.gz BEYGMCQOZQASIE-UHFFFAOYSA-N 0 3 320.433 2.304 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001210447697 801404135 /nfs/dbraw/zinc/40/41/35/801404135.db2.gz KOIJCAPHUGNSSN-QBPKDAKJSA-N 0 3 308.466 2.452 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)cn1 ZINC001210728437 801454074 /nfs/dbraw/zinc/45/40/74/801454074.db2.gz NWKUSGAWLNGTEG-HOCLYGCPSA-N 0 3 303.381 2.005 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccccc2OCC)C1 ZINC001210761510 801459643 /nfs/dbraw/zinc/45/96/43/801459643.db2.gz CSAPLOQLMPSCFL-HUUCEWRRSA-N 0 3 318.417 2.087 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@H](C)OCC)Cc1cccnc1 ZINC001230692609 801463822 /nfs/dbraw/zinc/46/38/22/801463822.db2.gz KTBWBMAQINJTHT-INIZCTEOSA-N 0 3 319.449 2.391 20 30 DEEDHN CN(CCCNC(=O)C(C)(C)F)Cc1ccc(F)c(C#N)c1 ZINC001231131454 801588540 /nfs/dbraw/zinc/58/85/40/801588540.db2.gz USFNUCCRLZRRHT-UHFFFAOYSA-N 0 3 309.360 2.384 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@H](OC)C1 ZINC001213335387 801596987 /nfs/dbraw/zinc/59/69/87/801596987.db2.gz DBFLSHXCFSBTFI-HZPDHXFCSA-N 0 3 317.433 2.287 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCC=C)C[C@H]2OC)CCCCC1 ZINC001213953399 801658704 /nfs/dbraw/zinc/65/87/04/801658704.db2.gz FMPFYUXGWRIOLY-IAGOWNOFSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(N)nc1)C2 ZINC001232367073 801862090 /nfs/dbraw/zinc/86/20/90/801862090.db2.gz ASETYXCIDPBBNR-AEFFLSMTSA-N 0 3 317.433 2.238 20 30 DEEDHN CN(C)C1(C)CN(Cc2ccc(Br)c(C#N)c2)C1 ZINC001232899404 801980715 /nfs/dbraw/zinc/98/07/15/801980715.db2.gz QTVOKUAZBVAOEH-UHFFFAOYSA-N 0 3 308.223 2.457 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1cnn3ccccc13)CC2 ZINC001233237384 802051229 /nfs/dbraw/zinc/05/12/29/802051229.db2.gz RKCHPNMZWSXFRV-UHFFFAOYSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCCCCN(C)Cc1ccc(OC)c(S(N)(=O)=O)c1 ZINC001233304123 802070937 /nfs/dbraw/zinc/07/09/37/802070937.db2.gz BALOSGICODPYJW-UHFFFAOYSA-N 0 3 312.435 2.131 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)/C=C\C(C)(C)C)[C@H]2C1 ZINC001217573621 802086960 /nfs/dbraw/zinc/08/69/60/802086960.db2.gz VKSRSFMJQHAPMD-LWULTOEVSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCCC(=O)N1CCO[C@@H]2CN(CC/C=C/CC)C[C@@H]21 ZINC001217758729 802112067 /nfs/dbraw/zinc/11/20/67/802112067.db2.gz RTCAPWGSOIKSQF-FKQXODTLSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCCC(=O)N1CCO[C@@H]2CN(CC/C=C\CCC)C[C@@H]21 ZINC001217757897 802112415 /nfs/dbraw/zinc/11/24/15/802112415.db2.gz DTWUXQXTFQHZOQ-MZIIKBMYSA-N 0 3 318.461 2.448 20 30 DEEDHN CCc1cc(C)c(C#N)c(OC2CCN(CCOC)CC2)n1 ZINC001233557293 802152104 /nfs/dbraw/zinc/15/21/04/802152104.db2.gz XSWQMGSIYRSRSH-UHFFFAOYSA-N 0 3 303.406 2.314 20 30 DEEDHN CN[C@H](C(=O)Nc1[nH]c(C)c(C)c1C#N)[C@@H](C)OC(C)(C)C ZINC001218555821 802204942 /nfs/dbraw/zinc/20/49/42/802204942.db2.gz MWKLWXJIKMWNGA-YPMHNXCESA-N 0 3 306.410 2.233 20 30 DEEDHN Cc1coc(NC(=O)[C@@](C)(N)Cc2ccc(F)cc2)c1C#N ZINC001218764001 802238885 /nfs/dbraw/zinc/23/88/85/802238885.db2.gz GDUJMMDNRIFXHK-INIZCTEOSA-N 0 3 301.321 2.497 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001233938194 802246238 /nfs/dbraw/zinc/24/62/38/802246238.db2.gz UARQXRQHLOWGAY-MJGOQNOKSA-N 0 3 316.445 2.089 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1C[C@H](OCC)C1CC1 ZINC001233948144 802249547 /nfs/dbraw/zinc/24/95/47/802249547.db2.gz QTMGAWCEWAALIE-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001233976615 802257901 /nfs/dbraw/zinc/25/79/01/802257901.db2.gz HDBNJATVESRXIU-WMZOPIPTSA-N 0 3 308.466 2.427 20 30 DEEDHN N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@H](N)CC(F)F ZINC001218953789 802264349 /nfs/dbraw/zinc/26/43/49/802264349.db2.gz UHTSPVBVMVLSIH-QMMMGPOBSA-N 0 3 307.222 2.498 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001219109965 802284054 /nfs/dbraw/zinc/28/40/54/802284054.db2.gz ACKNLFNOWKMTSH-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)n1oc2ccc(N)cc2c1=N ZINC001219136551 802287595 /nfs/dbraw/zinc/28/75/95/802287595.db2.gz IQSQHQCKHSITNK-ZDUSSCGKSA-N 0 3 302.378 2.400 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001219155652 802291191 /nfs/dbraw/zinc/29/11/91/802291191.db2.gz MJRMILGXYBVLGP-CABCVRRESA-N 0 3 308.447 2.269 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CCSCC)[C@@H](O)C1 ZINC001219268055 802303765 /nfs/dbraw/zinc/30/37/65/802303765.db2.gz UUZFGXAPDVZKBJ-CABCVRRESA-N 0 3 316.511 2.261 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@@H](C)SC)[C@@H](O)C1 ZINC001219484142 802337040 /nfs/dbraw/zinc/33/70/40/802337040.db2.gz JVFNNFAVZJFUKO-KFWWJZLASA-N 0 3 314.495 2.036 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)[C@@H](O)C1 ZINC001219521828 802338542 /nfs/dbraw/zinc/33/85/42/802338542.db2.gz YJLPOHMJFYHPKP-ZUQFGZKASA-N 0 3 319.449 2.160 20 30 DEEDHN CN[C@H](C(=O)N[C@@H](C#N)c1ccccc1)[C@@H](C)OC(C)(C)C ZINC001219558749 802344519 /nfs/dbraw/zinc/34/45/19/802344519.db2.gz UQPCXGKBGFAPMB-SNPRPXQTSA-N 0 3 303.406 2.159 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H](O)C1 ZINC001219551310 802345358 /nfs/dbraw/zinc/34/53/58/802345358.db2.gz XPMMSFVMTIUPIR-SJORKVTESA-N 0 3 319.449 2.098 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001219864259 802385925 /nfs/dbraw/zinc/38/59/25/802385925.db2.gz LQYZGWJRGPWGIL-BBWFWOEESA-N 0 3 306.450 2.250 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220205469 802427327 /nfs/dbraw/zinc/42/73/27/802427327.db2.gz BCAMXTISVUTINX-VDLOWSAOSA-N 0 3 308.466 2.496 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 ZINC001220331222 802444445 /nfs/dbraw/zinc/44/44/45/802444445.db2.gz OBWHPNHZKQHGAQ-CVEARBPZSA-N 0 3 308.466 2.308 20 30 DEEDHN C=C[C@@H](CO)NC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220393435 802452522 /nfs/dbraw/zinc/45/25/22/802452522.db2.gz WYCRIIGWXBZUFS-JOYOIKCWSA-N 0 3 303.189 2.046 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC2(C=C)CCCCC2)[C@@H](O)C1 ZINC001220526183 802470734 /nfs/dbraw/zinc/47/07/34/802470734.db2.gz MIGHGLBTXKNZLS-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN N#CCSCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221289710 802548557 /nfs/dbraw/zinc/54/85/57/802548557.db2.gz XYPVPNLLKMRWSE-HZPDHXFCSA-N 0 3 319.474 2.276 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CCN(CCc3scnc3C)C[C@H]21 ZINC001221429342 802570936 /nfs/dbraw/zinc/57/09/36/802570936.db2.gz SVSZBOKWMHERGY-HUUCEWRRSA-N 0 3 319.474 2.493 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001221639044 802600106 /nfs/dbraw/zinc/60/01/06/802600106.db2.gz GBPSJTDZBLKXBR-KZNAEPCWSA-N 0 3 318.461 2.468 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001221735794 802608659 /nfs/dbraw/zinc/60/86/59/802608659.db2.gz WVKPKKOFMKEBGG-KZNAEPCWSA-N 0 3 318.461 2.468 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001222067552 802636696 /nfs/dbraw/zinc/63/66/96/802636696.db2.gz JNBGXCDLACRFDY-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CNC(=O)CC)CC1 ZINC001222208401 802655537 /nfs/dbraw/zinc/65/55/37/802655537.db2.gz WYSNRBOMEUBXND-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C(#Cc1ccccc1CN1CC2(C1)CNCCO2)c1ccccc1 ZINC001222441759 802686569 /nfs/dbraw/zinc/68/65/69/802686569.db2.gz PPKXFGXNNDMYEY-UHFFFAOYSA-N 0 3 318.420 2.261 20 30 DEEDHN Cc1ccncc1CN1CCC(CNC(=O)C#CC2CC2)CC1 ZINC001223129557 802767888 /nfs/dbraw/zinc/76/78/88/802767888.db2.gz CCQCTVABMKSPRO-UHFFFAOYSA-N 0 3 311.429 2.132 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@H]2CCCC[C@H]2CC)CC1 ZINC001223163920 802770443 /nfs/dbraw/zinc/77/04/43/802770443.db2.gz BERGALAAFRFXRQ-MSOLQXFVSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCCc2csc(C)n2)CC1 ZINC001223195190 802772595 /nfs/dbraw/zinc/77/25/95/802772595.db2.gz YTUCOCUTEXWENN-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(C)(C)c2cccnc2)CC1 ZINC001223687812 802807963 /nfs/dbraw/zinc/80/79/63/802807963.db2.gz SCDZUAWCRCMMQQ-UHFFFAOYSA-N 0 3 313.445 2.211 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CCN([C@@H](CCCC)C(N)=O)CC1 ZINC001224058096 802833621 /nfs/dbraw/zinc/83/36/21/802833621.db2.gz ZYDNEHDWQXWFLB-HNNXBMFYSA-N 0 3 323.481 2.071 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21 ZINC001224215924 802848831 /nfs/dbraw/zinc/84/88/31/802848831.db2.gz KULYMLBAZOQXTO-MSOLQXFVSA-N 0 3 313.445 2.214 20 30 DEEDHN CC(C)(C)OC(=O)N1CCN2C[C@H](OCC#CC3CC3)C[C@H]2C1 ZINC001224843849 802909400 /nfs/dbraw/zinc/90/94/00/802909400.db2.gz GSGAPEJBPGZZRV-JKSUJKDBSA-N 0 3 320.433 2.110 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2coc3ccccc23)CC1 ZINC001224948328 802919731 /nfs/dbraw/zinc/91/97/31/802919731.db2.gz YWZACJOSIRDEOW-UHFFFAOYSA-N 0 3 310.397 2.437 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)COCC1CC1 ZINC001225026946 802929023 /nfs/dbraw/zinc/92/90/23/802929023.db2.gz QQIZSYMQUFRFKC-ZIAGYGMSSA-N 0 3 300.830 2.183 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001225103770 802936660 /nfs/dbraw/zinc/93/66/60/802936660.db2.gz XYGLZLQSIWBQEK-ROUUACIJSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC001225543524 802980641 /nfs/dbraw/zinc/98/06/41/802980641.db2.gz VTXZSELQTPNCLB-SFHVURJKSA-N 0 3 316.420 2.419 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC1(O)CCC1 ZINC001226079712 803049972 /nfs/dbraw/zinc/04/99/72/803049972.db2.gz GHAJNAMKOIWDKX-CHWSQXEVSA-N 0 3 300.830 2.061 20 30 DEEDHN CO[C@@H]1CCN(CCOc2ccc3nc(C#N)sc3c2)C1 ZINC001226671883 803141325 /nfs/dbraw/zinc/14/13/25/803141325.db2.gz NPUIECMDHMNAJK-GFCCVEGCSA-N 0 3 303.387 2.267 20 30 DEEDHN C[C@@H]1CC[C@@H](CN2CCC(NC(=O)C#CC(C)(C)C)CC2)O1 ZINC001227281378 803226409 /nfs/dbraw/zinc/22/64/09/803226409.db2.gz SVCSCCYYWBCSIN-ZBFHGGJFSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2scnc2CC)CC1 ZINC001227684254 803265598 /nfs/dbraw/zinc/26/55/98/803265598.db2.gz BCDVIOQLAGFAFI-UHFFFAOYSA-N 0 3 323.462 2.102 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001227705191 803268860 /nfs/dbraw/zinc/26/88/60/803268860.db2.gz DXPUBNZJIXKZHP-UHFFFAOYSA-N 0 3 317.433 2.289 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001227916331 803294541 /nfs/dbraw/zinc/29/45/41/803294541.db2.gz BJMYGKODHYJQOZ-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001228589089 803376967 /nfs/dbraw/zinc/37/69/67/803376967.db2.gz NBTKMRWSVLIWGQ-UHFFFAOYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228750139 803406692 /nfs/dbraw/zinc/40/66/92/803406692.db2.gz WLUSUDFOCUZNMT-GJZGRUSLSA-N 0 3 318.465 2.001 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCNCc1ccc(F)cc1F ZINC001330768962 1149287224 /nfs/dbraw/zinc/28/72/24/1149287224.db2.gz IYEDMCUSOWNXTM-NEPJUHHUSA-N 0 3 309.360 2.499 20 30 DEEDHN C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001330821414 1149306734 /nfs/dbraw/zinc/30/67/34/1149306734.db2.gz RBCIDWJRLRBAIF-CYBMUJFWSA-N 0 3 315.421 2.412 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C[C@H]1CCCOC1 ZINC001330988774 1149353715 /nfs/dbraw/zinc/35/37/15/1149353715.db2.gz QEFHNOAQRUWKLB-UONOGXRCSA-N 0 3 302.846 2.430 20 30 DEEDHN CC1(C(=O)NC[C@H](NCc2ccc(C#N)s2)C2CC2)CC1 ZINC001370168436 1149411939 /nfs/dbraw/zinc/41/19/39/1149411939.db2.gz GJXZUQSDBOFPMH-AWEZNQCLSA-N 0 3 303.431 2.404 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccccc2O[C@H](C)C(=O)OC)C1 ZINC001334984623 1150363212 /nfs/dbraw/zinc/36/32/12/1150363212.db2.gz MPFOJPRSLOAJLS-ZBFHGGJFSA-N 0 3 319.401 2.404 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccccc1O)NCC#Cc1ccccc1 ZINC001331391743 1149434709 /nfs/dbraw/zinc/43/47/09/1149434709.db2.gz ZFWZMGWGFMISKG-MRXNPFEDSA-N 0 3 322.408 2.494 20 30 DEEDHN CC[C@@H](SC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001419729510 1168824042 /nfs/dbraw/zinc/82/40/42/1168824042.db2.gz NJJZFIAXRDSFON-XHDPSFHLSA-N 0 3 323.437 2.433 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H](C)NCc2cnccc2C)nc1 ZINC001331617647 1149557157 /nfs/dbraw/zinc/55/71/57/1149557157.db2.gz WAQZNTAOSCTFFI-OAHLLOKOSA-N 0 3 322.412 2.017 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCc1cccc(OC)c1 ZINC001327229639 1148401727 /nfs/dbraw/zinc/40/17/27/1148401727.db2.gz NMIOMSVCNNYBJP-UHFFFAOYSA-N 0 3 302.418 2.041 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCS[C@]1(C)Cc1ccccc1 ZINC001574963794 1069310739 /nfs/dbraw/zinc/31/07/39/1069310739.db2.gz XJKSZBQZJLIRFL-NVXWUHKLSA-N 0 3 302.443 2.261 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccc(F)cn1)C(C)(C)C ZINC001403954452 1163329452 /nfs/dbraw/zinc/32/94/52/1163329452.db2.gz OARQKFZUSCGQFN-RISCZKNCSA-N 0 3 306.385 2.001 20 30 DEEDHN C=C(C)Cn1c([C@@H](C)O)nnc1N1CCN(C(C)(C)CC)CC1 ZINC001346323919 1150970039 /nfs/dbraw/zinc/97/00/39/1150970039.db2.gz JJPNJHJWKQGKGT-CQSZACIVSA-N 0 3 321.469 2.218 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1cc(C)n(C)n1 ZINC001328414750 1148789592 /nfs/dbraw/zinc/78/95/92/1148789592.db2.gz ZXRCRZWWWRIVSK-ZDUSSCGKSA-N 0 3 306.454 2.315 20 30 DEEDHN C=CCCC[C@@H](NC(=O)C[C@H]1NCc2ccccc21)C(=O)OC ZINC001522743742 1069451176 /nfs/dbraw/zinc/45/11/76/1069451176.db2.gz HWNPVFNOMOVUIH-HZPDHXFCSA-N 0 3 316.401 2.235 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NC(=O)CN(C)CCC)CC1 ZINC001523233003 1069599257 /nfs/dbraw/zinc/59/92/57/1069599257.db2.gz PQSWXUQFMNVTAS-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CCC(C(=O)NCCCN(C)C(=O)CN(CC)CC)CC1 ZINC001523753419 1069708040 /nfs/dbraw/zinc/70/80/40/1069708040.db2.gz XHMDVIKQTYQIAX-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCC1([NH2+]CCCOc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001602699229 1069728603 /nfs/dbraw/zinc/72/86/03/1069728603.db2.gz FKDINCGNLHOFIE-UHFFFAOYSA-N 0 3 311.389 2.171 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc(C)c(C)o2)CC1 ZINC001328520514 1148805305 /nfs/dbraw/zinc/80/53/05/1148805305.db2.gz QXXCDKKORNFSQI-UHFFFAOYSA-N 0 3 306.406 2.029 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CCOC ZINC001602858679 1069781617 /nfs/dbraw/zinc/78/16/17/1069781617.db2.gz XEARQHOCIYUUKA-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CCOC ZINC001602858679 1069781628 /nfs/dbraw/zinc/78/16/28/1069781628.db2.gz XEARQHOCIYUUKA-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CCOC ZINC001602858679 1069781639 /nfs/dbraw/zinc/78/16/39/1069781639.db2.gz XEARQHOCIYUUKA-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CCOC ZINC001602858679 1069781644 /nfs/dbraw/zinc/78/16/44/1069781644.db2.gz XEARQHOCIYUUKA-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NC(=O)CN(CC)CC)CC1 ZINC001350925961 1151428296 /nfs/dbraw/zinc/42/82/96/1151428296.db2.gz RPVIRYYDOJNTTN-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccc(C)cc2C)CC1 ZINC001328558619 1148810111 /nfs/dbraw/zinc/81/01/11/1148810111.db2.gz NHENSUNZPAVEBL-UHFFFAOYSA-N 0 3 316.445 2.436 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001528903324 1070784870 /nfs/dbraw/zinc/78/48/70/1070784870.db2.gz HVUIWQTZUWLRJI-QGZVFWFLSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)CCc1ccnn1C ZINC001328751807 1148831573 /nfs/dbraw/zinc/83/15/73/1148831573.db2.gz BBMYOCUQLDEGKM-INIZCTEOSA-N 0 3 318.465 2.098 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnc([C@@H](C)CC)nc2)CC1 ZINC001530252634 1071187586 /nfs/dbraw/zinc/18/75/86/1071187586.db2.gz DKJPTFRAVOMDBY-ZDUSSCGKSA-N 0 3 300.406 2.274 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2cnns2)C1 ZINC001328861829 1148842587 /nfs/dbraw/zinc/84/25/87/1148842587.db2.gz XTQFYUQJNHMQMK-UHFFFAOYSA-N 0 3 308.451 2.125 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001531952464 1071599315 /nfs/dbraw/zinc/59/93/15/1071599315.db2.gz WEIQBIKWQONJSJ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)CN(CC)CC ZINC001532599550 1071687282 /nfs/dbraw/zinc/68/72/82/1071687282.db2.gz RJDXBWHCAHIWMW-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NCCC ZINC001499896972 1058354028 /nfs/dbraw/zinc/35/40/28/1058354028.db2.gz KBFGUUXNEQNAST-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]1CNCc1ncccc1C ZINC001499954587 1058398642 /nfs/dbraw/zinc/39/86/42/1058398642.db2.gz FKWBWQFGNQJQJK-INIZCTEOSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2cc(C)c(C)cn2)CC1 ZINC001500044013 1058450040 /nfs/dbraw/zinc/45/00/40/1058450040.db2.gz ZKHOZQYZPQQKQL-UHFFFAOYSA-N 0 3 323.440 2.262 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H](NC(C)=O)C1CCCC1 ZINC001500063107 1058459601 /nfs/dbraw/zinc/45/96/01/1058459601.db2.gz IGCJCHOKOQNGMA-YOEHRIQHSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cccn2C(C)C)C1 ZINC001500289273 1058669503 /nfs/dbraw/zinc/66/95/03/1058669503.db2.gz HARSWLOTYKRQRL-SFHVURJKSA-N 0 3 319.449 2.466 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001500444678 1058789435 /nfs/dbraw/zinc/78/94/35/1058789435.db2.gz RZWWXQSNTXDOAM-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN COc1ccc(C(C)(C)CN2CC[C@@](O)(CC#N)C2)cc1OC ZINC001462388462 1058814931 /nfs/dbraw/zinc/81/49/31/1058814931.db2.gz NMGPUXDCMXDBIW-SFHVURJKSA-N 0 3 318.417 2.332 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001500529820 1058900789 /nfs/dbraw/zinc/90/07/89/1058900789.db2.gz NMZIXLHXABSWLA-SFHVURJKSA-N 0 3 316.449 2.319 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)NCc2nccs2)C1 ZINC001501046904 1059229791 /nfs/dbraw/zinc/22/97/91/1059229791.db2.gz IKZWBPNNYXBLKN-ZIAGYGMSSA-N 0 3 305.447 2.129 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC001501195870 1059364965 /nfs/dbraw/zinc/36/49/65/1059364965.db2.gz IEFPFEYXOSXKDA-UHFFFAOYSA-N 0 3 306.409 2.481 20 30 DEEDHN CCCCCCCN1CCC[C@](CO)(NC(=O)C(F)F)C1 ZINC001501291194 1059431398 /nfs/dbraw/zinc/43/13/98/1059431398.db2.gz AWMVTBNARKQMQU-HNNXBMFYSA-N 0 3 306.397 2.165 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001501323300 1059450032 /nfs/dbraw/zinc/45/00/32/1059450032.db2.gz CYYXETRTTZPPGK-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)n1cccn1 ZINC001501661183 1059616744 /nfs/dbraw/zinc/61/67/44/1059616744.db2.gz NYBLPEOIOWQZFI-OAHLLOKOSA-N 0 3 312.417 2.378 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1CC(OC)C1 ZINC001501663316 1059617581 /nfs/dbraw/zinc/61/75/81/1059617581.db2.gz RMQWOXHJBUEBEF-UHFFFAOYSA-N 0 3 314.429 2.183 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCn2cccn2)cc1 ZINC001501672298 1059624718 /nfs/dbraw/zinc/62/47/18/1059624718.db2.gz DFZAZLQCNZZVHI-INIZCTEOSA-N 0 3 324.428 2.264 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccn(-c2ccccc2)n1 ZINC001467727448 1059689470 /nfs/dbraw/zinc/68/94/70/1059689470.db2.gz HAPHDKNTAOMQDS-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)[C@H](O)C(C)C)cccc2C1 ZINC001501854590 1059743134 /nfs/dbraw/zinc/74/31/34/1059743134.db2.gz XUCYZZLJXYUXRP-GOSISDBHSA-N 0 3 316.445 2.254 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccnn2[C@H](C)CC)CCC1 ZINC001501958688 1059808903 /nfs/dbraw/zinc/80/89/03/1059808903.db2.gz WLPRFXMTEOQQEQ-CQSZACIVSA-N 0 3 302.422 2.120 20 30 DEEDHN C#CCNC1(CNC(=O)COc2ccc(C(C)C)cc2)CCC1 ZINC001501980170 1059829328 /nfs/dbraw/zinc/82/93/28/1059829328.db2.gz YFZXNRMXJAEZDM-UHFFFAOYSA-N 0 3 314.429 2.451 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2(NC/C=C/Cl)CCC2)c1 ZINC001501997930 1059853708 /nfs/dbraw/zinc/85/37/08/1059853708.db2.gz AQZUVCDWZFTHDR-QPJJXVBHSA-N 0 3 303.793 2.058 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CC(C)(C)C2CCCCC2)CCO1 ZINC001502087893 1059919612 /nfs/dbraw/zinc/91/96/12/1059919612.db2.gz UNZKTFXLNKEXHU-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1ccc(F)cc1 ZINC001502396815 1060106530 /nfs/dbraw/zinc/10/65/30/1060106530.db2.gz FZESBZVXDHIPLL-UHFFFAOYSA-N 0 3 306.381 2.008 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C1(c2ccccc2OC)CC1 ZINC001502403293 1060111316 /nfs/dbraw/zinc/11/13/16/1060111316.db2.gz LYULQLNOZSAIJW-UHFFFAOYSA-N 0 3 314.429 2.140 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2oc(C)cc2C)CC1 ZINC001503899119 1060474246 /nfs/dbraw/zinc/47/42/46/1060474246.db2.gz BCIZQYBGGYWYSW-UHFFFAOYSA-N 0 3 306.406 2.029 20 30 DEEDHN Cc1nc(CCN(C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)cs1 ZINC001505423988 1060570056 /nfs/dbraw/zinc/57/00/56/1060570056.db2.gz GNVYPXKVZPJPFF-SWLSCSKDSA-N 0 3 320.462 2.077 20 30 DEEDHN COCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001505542500 1060690680 /nfs/dbraw/zinc/69/06/80/1060690680.db2.gz YZMKZPAGZGTMQA-KGLIPLIRSA-N 0 3 322.836 2.211 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1=COCCC1 ZINC001505576226 1060729695 /nfs/dbraw/zinc/72/96/95/1060729695.db2.gz WVJABXRPPUBVTJ-RYUDHWBXSA-N 0 3 319.430 2.297 20 30 DEEDHN Cc1ccc(CNCc2ccc(OCC(N)=O)cc2)cc1C#N ZINC001474262828 1060838529 /nfs/dbraw/zinc/83/85/29/1060838529.db2.gz FJLHOCCRXBSTPF-UHFFFAOYSA-N 0 3 309.369 2.021 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001505937201 1061153848 /nfs/dbraw/zinc/15/38/48/1061153848.db2.gz AHONMMUPXVISQY-CZUORRHYSA-N 0 3 302.418 2.348 20 30 DEEDHN C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001505941165 1061155706 /nfs/dbraw/zinc/15/57/06/1061155706.db2.gz CWVVVJNAWXCPLG-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001505941165 1061155716 /nfs/dbraw/zinc/15/57/16/1061155716.db2.gz CWVVVJNAWXCPLG-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001479236520 1061312896 /nfs/dbraw/zinc/31/28/96/1061312896.db2.gz XSVGYCFIJDPCNA-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@]1(F)CCOC1 ZINC001479241245 1061316603 /nfs/dbraw/zinc/31/66/03/1061316603.db2.gz PKHFHIIMOAIIQD-RDJZCZTQSA-N 0 3 312.429 2.394 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001479392836 1061437559 /nfs/dbraw/zinc/43/75/59/1061437559.db2.gz IMQODVUHAZQLCW-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)Cc1ncc[nH]1 ZINC001479523666 1061492461 /nfs/dbraw/zinc/49/24/61/1061492461.db2.gz AWCLQBIOVCUDGC-OCCSQVGLSA-N 0 3 324.856 2.312 20 30 DEEDHN C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2(C)CCCC2)n1 ZINC001479606817 1061521673 /nfs/dbraw/zinc/52/16/73/1061521673.db2.gz FJJJWQJVFUPAAP-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN C=C[C@@H](C(=O)N[C@H]1CCN(CCOC)[C@@H]1C)c1ccccc1 ZINC001479728754 1061647533 /nfs/dbraw/zinc/64/75/33/1061647533.db2.gz UCSHGUDYYQHWNM-OIISXLGYSA-N 0 3 302.418 2.182 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)OCC(C)C)CC(C)(C)C1 ZINC001479745697 1061675572 /nfs/dbraw/zinc/67/55/72/1061675572.db2.gz PGQQMAKZEHGURF-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001479906663 1062035652 /nfs/dbraw/zinc/03/56/52/1062035652.db2.gz OWRZRQUIPALXPR-KRWDZBQOSA-N 0 3 301.434 2.479 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480135340 1062371901 /nfs/dbraw/zinc/37/19/01/1062371901.db2.gz RFYYHMUVNRXQHY-XIRDDKMYSA-N 0 3 316.470 2.417 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001480202287 1062458359 /nfs/dbraw/zinc/45/83/59/1062458359.db2.gz PJFYWVCTWCXLDJ-CALCHBBNSA-N 0 3 307.397 2.225 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001480260783 1062551735 /nfs/dbraw/zinc/55/17/35/1062551735.db2.gz CTAJPMYFMXLWML-SJORKVTESA-N 0 3 313.445 2.427 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC(N(C)C/C=C\Cl)CC2)cn1 ZINC001506969896 1062615352 /nfs/dbraw/zinc/61/53/52/1062615352.db2.gz GXPQWBPIUIMDBU-WTKPLQERSA-N 0 3 317.820 2.352 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C)OCCC(C)C ZINC001480334395 1062672119 /nfs/dbraw/zinc/67/21/19/1062672119.db2.gz DORWZBPGAGFNFV-IRXDYDNUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)c1[nH]c(C)nc1C ZINC001507027729 1062693131 /nfs/dbraw/zinc/69/31/31/1062693131.db2.gz LBUCTNNXRJAQIX-CYBMUJFWSA-N 0 3 310.829 2.219 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](C)NCc1ccccc1OC1CC1 ZINC001507058395 1062753261 /nfs/dbraw/zinc/75/32/61/1062753261.db2.gz AYGNURXAYBLDQK-KBPBESRZSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(COC)CCCCC2)C1 ZINC001480380687 1062758937 /nfs/dbraw/zinc/75/89/37/1062758937.db2.gz WROJLSOVWMYFSE-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)Oc1ccccc1F ZINC001507079488 1062793123 /nfs/dbraw/zinc/79/31/23/1062793123.db2.gz XLYZIVMOEAFPJF-KGLIPLIRSA-N 0 3 306.381 2.053 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](C)Oc1ccccc1F ZINC001507079492 1062793206 /nfs/dbraw/zinc/79/32/06/1062793206.db2.gz XLYZIVMOEAFPJF-ZIAGYGMSSA-N 0 3 306.381 2.053 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)c2ccoc2)cc1C#N ZINC001480424384 1062840350 /nfs/dbraw/zinc/84/03/50/1062840350.db2.gz ZPBWUPDPHRBSBX-LBPRGKRZSA-N 0 3 313.357 2.068 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CC1(C)C)NCc1ccc(C#N)c(F)c1 ZINC001480449514 1062877681 /nfs/dbraw/zinc/87/76/81/1062877681.db2.gz TVQNIIQPMPUNHW-FZMZJTMJSA-N 0 3 303.381 2.338 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C)nc1OCCC ZINC001507138624 1062899559 /nfs/dbraw/zinc/89/95/59/1062899559.db2.gz ORQXXAPJSQMVHX-OAHLLOKOSA-N 0 3 317.433 2.252 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)N[C@@H](C)c1cccc(C)c1 ZINC001507223272 1062978547 /nfs/dbraw/zinc/97/85/47/1062978547.db2.gz WWOGTXJGKFPCSP-GOEBONIOSA-N 0 3 304.434 2.335 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@@H](C)NC/C=C/Cl)cc1 ZINC001480551390 1063021247 /nfs/dbraw/zinc/02/12/47/1063021247.db2.gz VCDDUWIHSXXFFE-QGQQYVBWSA-N 0 3 306.793 2.159 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@H](C)C1CCCCC1 ZINC001480553959 1063027921 /nfs/dbraw/zinc/02/79/21/1063027921.db2.gz MXVMUVZBQATQDG-JKSUJKDBSA-N 0 3 308.466 2.337 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccccc1OCC(C)C ZINC001480556391 1063031393 /nfs/dbraw/zinc/03/13/93/1063031393.db2.gz INUANJFOHYZOJU-HNNXBMFYSA-N 0 3 302.418 2.453 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(-c2ccccc2)nc1 ZINC001480560255 1063034388 /nfs/dbraw/zinc/03/43/88/1063034388.db2.gz VOOZXRQINYIKQA-HNNXBMFYSA-N 0 3 307.397 2.480 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001507307459 1063069903 /nfs/dbraw/zinc/06/99/03/1063069903.db2.gz USMKIUFDNYRFLW-WMLDXEAASA-N 0 3 323.396 2.227 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(OC)cc2C)C1 ZINC001507310999 1063075055 /nfs/dbraw/zinc/07/50/55/1063075055.db2.gz SQOJUSWWWGIANN-DOTOQJQBSA-N 0 3 314.429 2.148 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(Cl)cn2CC)C1 ZINC001507332209 1063106612 /nfs/dbraw/zinc/10/66/12/1063106612.db2.gz UFRRBFSHUQWIHS-OCCSQVGLSA-N 0 3 307.825 2.377 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCc3nc(C)cs3)CCC[C@H]12 ZINC001507360628 1063153496 /nfs/dbraw/zinc/15/34/96/1063153496.db2.gz YDVJEQAYTYJMHK-WMLDXEAASA-N 0 3 317.458 2.131 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2nccn2C)C1 ZINC001480697987 1063206696 /nfs/dbraw/zinc/20/66/96/1063206696.db2.gz KFBQNNCNVDWUFW-HUUCEWRRSA-N 0 3 304.438 2.293 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(OC)cs2)C1 ZINC001480729148 1063262165 /nfs/dbraw/zinc/26/21/65/1063262165.db2.gz FGMHJLJTXPYMLW-CYBMUJFWSA-N 0 3 306.431 2.316 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2[nH]cnc21 ZINC001480800346 1063361171 /nfs/dbraw/zinc/36/11/71/1063361171.db2.gz ZKBAXDJZUHZXAT-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C=CCN(C)CCN(C(=O)CCc1c(C)nn(C)c1C)C(C)C ZINC001507823803 1063431238 /nfs/dbraw/zinc/43/12/38/1063431238.db2.gz XOHZOXVNKSYMSG-UHFFFAOYSA-N 0 3 320.481 2.324 20 30 DEEDHN C=CCOCC(=O)NCCN(C)Cc1ccc(Cl)cc1C ZINC001480849195 1063453922 /nfs/dbraw/zinc/45/39/22/1063453922.db2.gz PWEACHRNMRXLRK-UHFFFAOYSA-N 0 3 310.825 2.399 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc(F)c1C)CCOC ZINC001508049652 1063514464 /nfs/dbraw/zinc/51/44/64/1063514464.db2.gz HJBRZMBZDKFUJZ-UHFFFAOYSA-N 0 3 308.397 2.388 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCCCC1(F)F)CCOC ZINC001508049434 1063515668 /nfs/dbraw/zinc/51/56/68/1063515668.db2.gz VDBKWPWYSVESQB-AWEZNQCLSA-N 0 3 318.408 2.453 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc(F)cc1C)CCOC ZINC001508056196 1063523455 /nfs/dbraw/zinc/52/34/55/1063523455.db2.gz RPLVWOVVVWOIAE-UHFFFAOYSA-N 0 3 308.397 2.388 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001508064032 1063528443 /nfs/dbraw/zinc/52/84/43/1063528443.db2.gz PSHRNVSGBADLAB-VXGBXAGGSA-N 0 3 304.356 2.425 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3CCCCO3)CC2)CC1 ZINC001508164741 1063589605 /nfs/dbraw/zinc/58/96/05/1063589605.db2.gz KTQNOQHSJRBHST-KRWDZBQOSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)C[C@H]2C=CCC2)CC1 ZINC001508188640 1063596654 /nfs/dbraw/zinc/59/66/54/1063596654.db2.gz WXMBLJRNKQKHKJ-INIZCTEOSA-N 0 3 304.434 2.294 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(C(C)C)nn1CC ZINC001493302185 1063705600 /nfs/dbraw/zinc/70/56/00/1063705600.db2.gz GYVUALVMVRCMKS-UHFFFAOYSA-N 0 3 304.438 2.101 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@@]12CCO[C@@H]1CCCC2 ZINC001493303725 1063706061 /nfs/dbraw/zinc/70/60/61/1063706061.db2.gz DVLGJKCUAWRXPU-AEFFLSMTSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001493337630 1063724822 /nfs/dbraw/zinc/72/48/22/1063724822.db2.gz UUSWTXLMYWTYTG-HNNXBMFYSA-N 0 3 304.409 2.466 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@]12CCO[C@H]1CCCC2)C1CC1 ZINC001493390927 1063764861 /nfs/dbraw/zinc/76/48/61/1063764861.db2.gz GLGGXWLCHNMQGH-WMZOPIPTSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1ccnc(N(C)C)c1)c1ccccc1 ZINC001493899106 1064015414 /nfs/dbraw/zinc/01/54/14/1064015414.db2.gz NCFXELZNGLGPKA-QGZVFWFLSA-N 0 3 324.428 2.394 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccnc(N(C)C)c1)c1ccccc1 ZINC001493899104 1064015835 /nfs/dbraw/zinc/01/58/35/1064015835.db2.gz NCFXELZNGLGPKA-KRWDZBQOSA-N 0 3 324.428 2.394 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CCc1ncccn1)c1ccccc1 ZINC001493900422 1064016730 /nfs/dbraw/zinc/01/67/30/1064016730.db2.gz HYQOEGHWIMWGCK-KRWDZBQOSA-N 0 3 324.428 2.432 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](CC)OC ZINC001493920633 1064023542 /nfs/dbraw/zinc/02/35/42/1064023542.db2.gz GOAAXLHVLIUCEA-IXDOHACOSA-N 0 3 306.450 2.280 20 30 DEEDHN C=C[C@@H](C(=O)N(C)CCN1CCN(CC)CC1)c1ccccc1 ZINC001494108705 1064124194 /nfs/dbraw/zinc/12/41/94/1064124194.db2.gz VMJVAKOHRMIGAD-GOSISDBHSA-N 0 3 315.461 2.052 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCCN1C[C@@H]1CCCCO1 ZINC001567366041 1064164431 /nfs/dbraw/zinc/16/44/31/1064164431.db2.gz YREKAROBAPKYIL-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001567386099 1064173911 /nfs/dbraw/zinc/17/39/11/1064173911.db2.gz AIJLDDBIWAVERV-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001567425618 1064195179 /nfs/dbraw/zinc/19/51/79/1064195179.db2.gz WFIFVGDVECATAQ-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc(-c2cnco2)c1 ZINC001567431969 1064196287 /nfs/dbraw/zinc/19/62/87/1064196287.db2.gz YCVFDBJADXPFBH-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](CNC(=O)CN(CC)CC)C1 ZINC001494285468 1064200209 /nfs/dbraw/zinc/20/02/09/1064200209.db2.gz OOVZGFUVHQYTAE-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(C[C@H]2CCCCO2)C2CC2)C1 ZINC001567449001 1064203844 /nfs/dbraw/zinc/20/38/44/1064203844.db2.gz MHHPGTGHVWVTBH-MRXNPFEDSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1COc2ccccc21)C1CC1 ZINC001567456109 1064207063 /nfs/dbraw/zinc/20/70/63/1064207063.db2.gz PDIDNSKLNUYOQC-MRXNPFEDSA-N 0 3 300.402 2.319 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001494324444 1064212037 /nfs/dbraw/zinc/21/20/37/1064212037.db2.gz WXELPXMTJORRMH-RDJZCZTQSA-N 0 3 312.429 2.442 20 30 DEEDHN C=CCOCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001494537537 1064303106 /nfs/dbraw/zinc/30/31/06/1064303106.db2.gz FWMRLAKGPMGRHS-HNNXBMFYSA-N 0 3 302.418 2.307 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@H](OC)C1CCC1)c1ccccc1 ZINC001567661393 1064325324 /nfs/dbraw/zinc/32/53/24/1064325324.db2.gz YAYDETLAPDYVMB-ZWKOTPCHSA-N 0 3 314.429 2.272 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001494628514 1064367372 /nfs/dbraw/zinc/36/73/72/1064367372.db2.gz NIHONTSNAVREJN-HNNXBMFYSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCOCC1 ZINC001494637136 1064372493 /nfs/dbraw/zinc/37/24/93/1064372493.db2.gz DHYYBEIKDKKHHP-IRXDYDNUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)CC(C)=C(C)C)CC1 ZINC001567719896 1064376129 /nfs/dbraw/zinc/37/61/29/1064376129.db2.gz CGOXAKOCXQHTAI-UHFFFAOYSA-N 0 3 307.482 2.385 20 30 DEEDHN C#CCC1(C(=O)NCC2CN([C@@H](C)COC)C2)CCCCC1 ZINC001567850027 1064459716 /nfs/dbraw/zinc/45/97/16/1064459716.db2.gz SUJLYFBVOINIMB-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC)Oc2ccccc2F)C1 ZINC001567882533 1064481076 /nfs/dbraw/zinc/48/10/76/1064481076.db2.gz MQMMFSHZCQPPSO-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN CCC(=O)N[C@](C)(CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001568011748 1064592909 /nfs/dbraw/zinc/59/29/09/1064592909.db2.gz NKLFXYVYMUAGHC-GOSISDBHSA-N 0 3 302.393 2.462 20 30 DEEDHN CC[C@@H](CNC(=O)c1ocnc1C)NCc1ccc(C#N)s1 ZINC001494960135 1064609447 /nfs/dbraw/zinc/60/94/47/1064609447.db2.gz HPELZMDZHMXJHP-NSHDSACASA-N 0 3 318.402 2.214 20 30 DEEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1ccc(C#N)s1 ZINC001494984486 1064627631 /nfs/dbraw/zinc/62/76/31/1064627631.db2.gz IOTIIOACYPBIAA-CYBMUJFWSA-N 0 3 301.415 2.018 20 30 DEEDHN N#CCSCC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001568115641 1064653573 /nfs/dbraw/zinc/65/35/73/1064653573.db2.gz KQRVPNUMKWUABE-LZCJLJQNSA-N 0 3 323.849 2.402 20 30 DEEDHN COCC#CCNCc1ccc(CNC(=O)C2CCCC2)cc1 ZINC001568115767 1064653907 /nfs/dbraw/zinc/65/39/07/1064653907.db2.gz ONQFYIGTAZGEHH-UHFFFAOYSA-N 0 3 314.429 2.232 20 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CC#CCN(C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC001483406007 1078513452 /nfs/dbraw/zinc/51/34/52/1078513452.db2.gz PAGODQKUHZTIMX-AEFFLSMTSA-N 0 3 315.461 2.139 20 30 DEEDHN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H](N)CCCC#N ZINC001579648064 1067396261 /nfs/dbraw/zinc/39/62/61/1067396261.db2.gz LJEHFWLTQBOCBD-CQSZACIVSA-N 0 3 311.389 2.355 20 30 DEEDHN N#C[C@@H](CCc1ccccc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC001580035836 1067477597 /nfs/dbraw/zinc/47/75/97/1067477597.db2.gz HLLYLAWVIAMUAT-OAHLLOKOSA-N 0 3 320.396 2.438 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC001580059953 1067484949 /nfs/dbraw/zinc/48/49/49/1067484949.db2.gz NQXDDPBVFNOYBN-UHFFFAOYSA-N 0 3 311.316 2.432 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ocnc1C(F)F ZINC001483493266 1078567368 /nfs/dbraw/zinc/56/73/68/1078567368.db2.gz WKAVBBBQJDBISJ-UHFFFAOYSA-N 0 3 307.728 2.416 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cn(C)nc1C)C1CC1 ZINC001483564256 1078600557 /nfs/dbraw/zinc/60/05/57/1078600557.db2.gz YGHKPCXPLNHILX-INIZCTEOSA-N 0 3 304.438 2.069 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NCc1ncc(C)s1 ZINC001267144636 1078611221 /nfs/dbraw/zinc/61/12/21/1078611221.db2.gz CFWNCLMEMGQBNL-YUTCNCBUSA-N 0 3 323.462 2.027 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2cc(OC)ccn2)C1 ZINC001267144470 1078611838 /nfs/dbraw/zinc/61/18/38/1078611838.db2.gz ZDZIJVDUZYZNCE-CQSZACIVSA-N 0 3 317.433 2.431 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C1(C(F)(F)F)CCOCC1 ZINC001640020507 1078637920 /nfs/dbraw/zinc/63/79/20/1078637920.db2.gz WAJXRMVNTXAKTN-UHFFFAOYSA-N 0 3 322.371 2.312 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001640020567 1078637943 /nfs/dbraw/zinc/63/79/43/1078637943.db2.gz XYRNWKPIMOLIQZ-SJORKVTESA-N 0 3 317.433 2.126 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CN(CC)c1ccccc1 ZINC001640015378 1078637135 /nfs/dbraw/zinc/63/71/35/1078637135.db2.gz ACXXJBUWPJJQRQ-UHFFFAOYSA-N 0 3 303.450 2.479 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cncc(F)c1 ZINC001570627588 1068046223 /nfs/dbraw/zinc/04/62/23/1068046223.db2.gz NCYZXWQBJVBRCR-KGLIPLIRSA-N 0 3 305.397 2.397 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)CCO[C@H]2CC2(F)F)C1 ZINC001570736278 1068102646 /nfs/dbraw/zinc/10/26/46/1068102646.db2.gz UPLWCAJFFJTQKI-STQMWFEESA-N 0 3 316.392 2.203 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)CCO[C@@H]2CC2(F)F)C1 ZINC001570736275 1068102868 /nfs/dbraw/zinc/10/28/68/1068102868.db2.gz UPLWCAJFFJTQKI-CHWSQXEVSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)C1Cc2ccccc2C1 ZINC001570737351 1068104290 /nfs/dbraw/zinc/10/42/90/1068104290.db2.gz DECMRTXHTZYNQQ-HNNXBMFYSA-N 0 3 316.445 2.041 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cnc(Cl)n1C ZINC001571284507 1068210789 /nfs/dbraw/zinc/21/07/89/1068210789.db2.gz QFYPTQMXBUDYRA-SNVBAGLBSA-N 0 3 319.236 2.314 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(N2CC=CC2)cc1 ZINC001571403939 1068278075 /nfs/dbraw/zinc/27/80/75/1068278075.db2.gz BIMCUBLBEXZHQA-INIZCTEOSA-N 0 3 311.429 2.136 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)C1(c2ccccc2OC)CC1 ZINC001571421114 1068287958 /nfs/dbraw/zinc/28/79/58/1068287958.db2.gz YWWNDDKTGUIAJP-OAHLLOKOSA-N 0 3 314.429 2.187 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2cc(C)ccc2C)C1 ZINC001571440076 1068292007 /nfs/dbraw/zinc/29/20/07/1068292007.db2.gz URCVUKHWRKLYKV-QGZVFWFLSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCOCC(=O)NCCN(CC)[C@@H]1CCc2c1cccc2F ZINC001267238571 1078688996 /nfs/dbraw/zinc/68/89/96/1078688996.db2.gz PFCXKJALBVLMBN-QGZVFWFLSA-N 0 3 320.408 2.454 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccnc(OC2CCC2)c1 ZINC001267253321 1078699674 /nfs/dbraw/zinc/69/96/74/1078699674.db2.gz JFKVMFMXEGKJIB-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC001571517460 1068381074 /nfs/dbraw/zinc/38/10/74/1068381074.db2.gz SKVWSQALBAYVBQ-CVEARBPZSA-N 0 3 319.449 2.119 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)c2ccc(C)cc2)CC1(C)C ZINC001571567496 1068423862 /nfs/dbraw/zinc/42/38/62/1068423862.db2.gz PLCHKCVBUBIRAT-KRWDZBQOSA-N 0 3 314.429 2.085 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001571606357 1068436599 /nfs/dbraw/zinc/43/65/99/1068436599.db2.gz LJFUUPVOYMPCGP-CQSZACIVSA-N 0 3 314.788 2.030 20 30 DEEDHN CC(C)C#CC(=O)N(CCN(C)C[C@@H]1CC[C@@H](C)O1)C(C)C ZINC001571611870 1068440574 /nfs/dbraw/zinc/44/05/74/1068440574.db2.gz PGXCVOCEXLDGEM-SJORKVTESA-N 0 3 308.466 2.382 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Oc1ccccn1)C(C)C ZINC001571615716 1068441382 /nfs/dbraw/zinc/44/13/82/1068441382.db2.gz BECZKRXCWZSTGI-OAHLLOKOSA-N 0 3 305.422 2.204 20 30 DEEDHN C=CCN(C)CCN(C(=O)C[C@@H](OC)C(F)(F)F)C(C)C ZINC001571616034 1068441449 /nfs/dbraw/zinc/44/14/49/1068441449.db2.gz OAQUBUUODJWLKV-GFCCVEGCSA-N 0 3 310.360 2.309 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc2cnccc2c1 ZINC001493304153 1078729522 /nfs/dbraw/zinc/72/95/22/1078729522.db2.gz ISCZKPLYCNLDOJ-UHFFFAOYSA-N 0 3 310.401 2.095 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001571867955 1068559647 /nfs/dbraw/zinc/55/96/47/1068559647.db2.gz BTXCMYPFSNGVJK-GDBMZVCRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001571982209 1068604520 /nfs/dbraw/zinc/60/45/20/1068604520.db2.gz LGASIVZSJOMSSD-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001267309741 1078754208 /nfs/dbraw/zinc/75/42/08/1078754208.db2.gz RRCSYAUOKOEGKP-UZLBHIALSA-N 0 3 310.441 2.253 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1cc(F)c(C)cc1F ZINC001267316249 1078759011 /nfs/dbraw/zinc/75/90/11/1078759011.db2.gz JZYZSENNUZYAIJ-UHFFFAOYSA-N 0 3 308.372 2.277 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001514597421 1068740792 /nfs/dbraw/zinc/74/07/92/1068740792.db2.gz RZICQFDMQRPRJB-JYJNAYRXSA-N 0 3 307.438 2.063 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNCc1nccs1 ZINC001484369243 1079571433 /nfs/dbraw/zinc/57/14/33/1079571433.db2.gz WMHLBTLPJOMJSK-KBPBESRZSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001483681377 1078783532 /nfs/dbraw/zinc/78/35/32/1078783532.db2.gz HMGATKXXLPARAQ-TZMCWYRMSA-N 0 3 302.422 2.446 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCN1CC[C@@H](C)F ZINC001483696592 1078815195 /nfs/dbraw/zinc/81/51/95/1078815195.db2.gz LILIBYLIYSKCFY-RHSMWYFYSA-N 0 3 302.393 2.149 20 30 DEEDHN CC[C@H]1CN(C(=O)Nc2cccc(CC#N)n2)[C@@H](CC)CN1 ZINC001573718200 1069077109 /nfs/dbraw/zinc/07/71/09/1069077109.db2.gz JOPMLWNGRUTUGC-JSGCOSHPSA-N 0 3 301.394 2.142 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]2C2CC2)c1 ZINC001644532924 1078850336 /nfs/dbraw/zinc/85/03/36/1078850336.db2.gz KACXHWZKESOEOW-INIZCTEOSA-N 0 3 311.385 2.190 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)CCCCCC ZINC001644596787 1078851857 /nfs/dbraw/zinc/85/18/57/1078851857.db2.gz MASAMUMLXMKOLC-UHFFFAOYSA-N 0 3 324.465 2.302 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CCNCc2cnns2)C1 ZINC001272409046 1078853869 /nfs/dbraw/zinc/85/38/69/1078853869.db2.gz HMIZHQQSSSEBSS-CQSZACIVSA-N 0 3 320.462 2.060 20 30 DEEDHN N#Cc1cccc(NC(=O)[C@H]2CCCCN2)c1Br ZINC001574250343 1069189147 /nfs/dbraw/zinc/18/91/47/1069189147.db2.gz ZBIKSQOXCSARNA-LLVKDONJSA-N 0 3 308.179 2.401 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001521496615 1069246160 /nfs/dbraw/zinc/24/61/60/1069246160.db2.gz WRJXWWFKYLEQEN-MRXNPFEDSA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc2cc(F)ccc2n1C ZINC001521482922 1069246712 /nfs/dbraw/zinc/24/67/12/1069246712.db2.gz YLFDTMDEHMNVKZ-GFCCVEGCSA-N 0 3 304.369 2.012 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC001574856861 1069279130 /nfs/dbraw/zinc/27/91/30/1069279130.db2.gz IAKYCIDXDAHBMJ-CQSZACIVSA-N 0 3 323.824 2.489 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(NC(=O)OC)cc1 ZINC001574908215 1069294646 /nfs/dbraw/zinc/29/46/46/1069294646.db2.gz ICUSOVYJUCTPSO-AWEZNQCLSA-N 0 3 305.378 2.165 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2CCCC(F)(F)F ZINC001272506428 1078936536 /nfs/dbraw/zinc/93/65/36/1078936536.db2.gz MWMRCIUHZMWZGO-AWEZNQCLSA-N 0 3 302.340 2.419 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001267536093 1078966289 /nfs/dbraw/zinc/96/62/89/1078966289.db2.gz MIHLSKVGHHHRPD-HIFRSBDPSA-N 0 3 319.453 2.359 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)Cc1cccc(COC)c1 ZINC001480974180 1079018611 /nfs/dbraw/zinc/01/86/11/1079018611.db2.gz UEYXZGCLGTXFBS-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN Cc1noc(C)c1CN(C)C[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001267580844 1079074089 /nfs/dbraw/zinc/07/40/89/1079074089.db2.gz FGVGEKKZMCQIDI-MRXNPFEDSA-N 0 3 317.433 2.231 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ccnc(OC)n1 ZINC001649451015 1079126130 /nfs/dbraw/zinc/12/61/30/1079126130.db2.gz QLWNCQOIGRFUMQ-ZDUSSCGKSA-N 0 3 320.437 2.072 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(OC)c(C)c1)C1CC1 ZINC001566597995 1073542716 /nfs/dbraw/zinc/54/27/16/1073542716.db2.gz JGNQYACQCOTKDI-UHFFFAOYSA-N 0 3 300.402 2.221 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC(CN(C)CCF)CC1 ZINC001267598279 1079118973 /nfs/dbraw/zinc/11/89/73/1079118973.db2.gz ZDJNONCWIDLMTD-AWEZNQCLSA-N 0 3 300.418 2.108 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)C#CC1CC1 ZINC001649446770 1079123408 /nfs/dbraw/zinc/12/34/08/1079123408.db2.gz HERXFVDLBFPFEQ-OAHLLOKOSA-N 0 3 312.388 2.027 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H](CNCc2cnccc2C)C1 ZINC001649458244 1079128233 /nfs/dbraw/zinc/12/82/33/1079128233.db2.gz NNNQCDBOAUTRIX-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H](C)[C@H](NCc3cncn3C)C2)CCC1 ZINC001649460228 1079129048 /nfs/dbraw/zinc/12/90/48/1079129048.db2.gz AKQOVQVRFNNLJD-GOEBONIOSA-N 0 3 316.449 2.103 20 30 DEEDHN CCC(CC)CC(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001483846008 1079147875 /nfs/dbraw/zinc/14/78/75/1079147875.db2.gz DIQPBZFQIRFUHQ-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccn(CC)n2)C[C@@H]1C ZINC001483899609 1079171947 /nfs/dbraw/zinc/17/19/47/1079171947.db2.gz RQDMUMURABMSFK-GJZGRUSLSA-N 0 3 304.438 2.338 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN([C@H](CCCC)C(N)=O)C1 ZINC001481104623 1079189626 /nfs/dbraw/zinc/18/96/26/1079189626.db2.gz DDHRIGLVBLCLIB-HUUCEWRRSA-N 0 3 323.481 2.071 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC(C)(C)C ZINC001483931179 1079192553 /nfs/dbraw/zinc/19/25/53/1079192553.db2.gz OUNNXAYUSKXLPY-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN CCO[C@@H](CN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 ZINC001267614336 1079221482 /nfs/dbraw/zinc/22/14/82/1079221482.db2.gz GSGMAYNAQVYRJL-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN COCc1cccc(CN2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)c1 ZINC001484035970 1079258376 /nfs/dbraw/zinc/25/83/76/1079258376.db2.gz BYVHSOKNYLGPKR-KDOFPFPSSA-N 0 3 315.417 2.073 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001484069383 1079290148 /nfs/dbraw/zinc/29/01/48/1079290148.db2.gz IVSQQMOYCDZZSE-GOSISDBHSA-N 0 3 319.449 2.039 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCNCc1c(C)nn(C)c1Cl ZINC001272680505 1079302071 /nfs/dbraw/zinc/30/20/71/1079302071.db2.gz OWVWOEFFDOEIJV-LLVKDONJSA-N 0 3 312.845 2.333 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(C(C)C)C2)cc1OC ZINC001647024567 1074771138 /nfs/dbraw/zinc/77/11/38/1074771138.db2.gz NEQFDTQLJRBKGT-HNNXBMFYSA-N 0 3 318.417 2.359 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(Cl)ccc1OC ZINC001647358010 1074894025 /nfs/dbraw/zinc/89/40/25/1074894025.db2.gz XKEFQGCYNAMIFJ-LBPRGKRZSA-N 0 3 317.216 2.477 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001566689407 1074978920 /nfs/dbraw/zinc/97/89/20/1074978920.db2.gz MYPIOTOJBMAAFI-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2oc(=O)[nH]c21 ZINC001556466491 1075031880 /nfs/dbraw/zinc/03/18/80/1075031880.db2.gz AMOWVFFJFYVIBM-UHFFFAOYSA-N 0 3 303.362 2.113 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001565872325 1075060801 /nfs/dbraw/zinc/06/08/01/1075060801.db2.gz KZWYKAUSOZRGSC-PLNCSYRRSA-N 0 3 319.453 2.261 20 30 DEEDHN C#CCOCCC(=O)N(CCC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001567680924 1075077593 /nfs/dbraw/zinc/07/75/93/1075077593.db2.gz BARYERNVARGZKC-QGZVFWFLSA-N 0 3 306.450 2.305 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)CC2CCCCCC2)C1 ZINC001484240735 1079366662 /nfs/dbraw/zinc/36/66/62/1079366662.db2.gz QSASEJKNUUMCGB-SFHVURJKSA-N 0 3 308.466 2.476 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2Cc3c[nH]nc3C[C@@H](C)C2)cc1 ZINC001560143515 1075133269 /nfs/dbraw/zinc/13/32/69/1075133269.db2.gz CYSCJNYWEJSWAN-CQSZACIVSA-N 0 3 322.412 2.414 20 30 DEEDHN C=CCOCCCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC001560534762 1075141618 /nfs/dbraw/zinc/14/16/18/1075141618.db2.gz RCGGOKSAZYKRGP-UHFFFAOYSA-N 0 3 321.343 2.352 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001484247072 1079367363 /nfs/dbraw/zinc/36/73/63/1079367363.db2.gz QLMBNLVPXQXPSL-QGZVFWFLSA-N 0 3 322.836 2.309 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001565835389 1075193653 /nfs/dbraw/zinc/19/36/53/1075193653.db2.gz MGJWIOOTXZWQSZ-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN O=C(Cc1ccc[nH]1)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001565877769 1075202536 /nfs/dbraw/zinc/20/25/36/1075202536.db2.gz CKZFFVSRDYDINF-UAPYVXQJSA-N 0 3 321.424 2.093 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)[C@@H]1C ZINC001566082938 1075226041 /nfs/dbraw/zinc/22/60/41/1075226041.db2.gz URKMOXLAULJFRQ-PBHICJAKSA-N 0 3 302.418 2.224 20 30 DEEDHN CN(CCCNC(=O)CCCF)Cc1ccc(F)c(C#N)c1 ZINC001566482007 1075255926 /nfs/dbraw/zinc/25/59/26/1075255926.db2.gz XARQETSJHBESPT-UHFFFAOYSA-N 0 3 309.360 2.385 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCN(Cc1ccc(Cl)nc1)C1CC1 ZINC001566583283 1075289450 /nfs/dbraw/zinc/28/94/50/1075289450.db2.gz AKHXECYMJZNHHY-GFCCVEGCSA-N 0 3 320.824 2.365 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@]12CCO[C@H]1CCCC2)C1CC1 ZINC001566591583 1075290917 /nfs/dbraw/zinc/29/09/17/1075290917.db2.gz CTTLRPPKCGCIHY-PKOBYXMFSA-N 0 3 318.461 2.330 20 30 DEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC001566630224 1075301022 /nfs/dbraw/zinc/30/10/22/1075301022.db2.gz CMMGWKUUCMRCPQ-IAGOWNOFSA-N 0 3 321.465 2.004 20 30 DEEDHN CC/C=C/CCN1CCN(CCCNC(=O)C#CC(C)C)CC1 ZINC001566639797 1075302993 /nfs/dbraw/zinc/30/29/93/1075302993.db2.gz HFCFEOXRYBXWMS-AATRIKPKSA-N 0 3 319.493 2.126 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001566691517 1075318455 /nfs/dbraw/zinc/31/84/55/1075318455.db2.gz OHGOGQHAEWQAEB-IRXDYDNUSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCOCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001267701477 1079387679 /nfs/dbraw/zinc/38/76/79/1079387679.db2.gz UJZNKMDHZUEDKP-UHFFFAOYSA-N 0 3 316.445 2.444 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cccc(OC)n2)C1 ZINC001566803175 1075348774 /nfs/dbraw/zinc/34/87/74/1075348774.db2.gz QSQMCJJRKJYKME-IIDMSEBBSA-N 0 3 317.433 2.429 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(F)(F)C(F)F)C1 ZINC001566825957 1075354315 /nfs/dbraw/zinc/35/43/15/1075354315.db2.gz CHSHFVHCARIJCF-NEPJUHHUSA-N 0 3 320.330 2.223 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001566839536 1075358755 /nfs/dbraw/zinc/35/87/55/1075358755.db2.gz CQGWNIBPXYMBCZ-MCIONIFRSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)CCC(C)C ZINC001566932723 1075391640 /nfs/dbraw/zinc/39/16/40/1075391640.db2.gz CUZYFBUSGMUYTM-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001566983389 1075407365 /nfs/dbraw/zinc/40/73/65/1075407365.db2.gz FBLASGSWHQZZGJ-UHFFFAOYSA-N 0 3 305.447 2.464 20 30 DEEDHN C=CCCC(=O)NC1CCC(NCc2cc(C)ncn2)CC1 ZINC001566981919 1075407441 /nfs/dbraw/zinc/40/74/41/1075407441.db2.gz QHJGQQFPMQJORF-UHFFFAOYSA-N 0 3 302.422 2.268 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cncn2C)CCCC1 ZINC001567083163 1075429558 /nfs/dbraw/zinc/42/95/58/1075429558.db2.gz DSRHBFPZJIZIGV-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2nccn2C(F)F)C1 ZINC001567115649 1075435062 /nfs/dbraw/zinc/43/50/62/1075435062.db2.gz AWSAGKONVAQFRW-GFCCVEGCSA-N 0 3 312.364 2.183 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](CNCc3nccn3C)C2)CCC1 ZINC001567140211 1075442733 /nfs/dbraw/zinc/44/27/33/1075442733.db2.gz JVXGKRUPGLCAHX-HNNXBMFYSA-N 0 3 316.449 2.105 20 30 DEEDHN Cc1nc(CN[C@H](C)CCNC(=O)C#CC2CC2)c(C)s1 ZINC001567215047 1075465895 /nfs/dbraw/zinc/46/58/95/1075465895.db2.gz LHDURWCHOIXUMX-LLVKDONJSA-N 0 3 305.447 2.158 20 30 DEEDHN Cc1cc(CN2CCC[C@H]2CCCNC(=O)[C@@H](C)C#N)on1 ZINC001567246371 1075473823 /nfs/dbraw/zinc/47/38/23/1075473823.db2.gz DVUQNFOZBOJYRK-GXTWGEPZSA-N 0 3 304.394 2.004 20 30 DEEDHN CC[C@@H]1CC[C@@H](C(=O)N(C)CCNCc2ccc(C#N)s2)O1 ZINC001481236713 1079446258 /nfs/dbraw/zinc/44/62/58/1079446258.db2.gz NTDDOAMKBLODMV-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)CCc1c(F)cccc1F ZINC001329433957 1148894655 /nfs/dbraw/zinc/89/46/55/1148894655.db2.gz ZXYPBWAVFLSCBA-ZDUSSCGKSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001329441025 1148895472 /nfs/dbraw/zinc/89/54/72/1148895472.db2.gz LVGGAUYTXUUNNR-LSDHHAIUSA-N 0 3 320.408 2.109 20 30 DEEDHN C#CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588335750 1076442689 /nfs/dbraw/zinc/44/26/89/1076442689.db2.gz WKBKEVRPPLVENP-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588335750 1076442690 /nfs/dbraw/zinc/44/26/90/1076442690.db2.gz WKBKEVRPPLVENP-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588335750 1076442692 /nfs/dbraw/zinc/44/26/92/1076442692.db2.gz WKBKEVRPPLVENP-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588335750 1076442694 /nfs/dbraw/zinc/44/26/94/1076442694.db2.gz WKBKEVRPPLVENP-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588404542 1076446770 /nfs/dbraw/zinc/44/67/70/1076446770.db2.gz IGFJOWOPTJREIY-GJZGRUSLSA-N 0 3 301.394 2.235 20 30 DEEDHN C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588404542 1076446772 /nfs/dbraw/zinc/44/67/72/1076446772.db2.gz IGFJOWOPTJREIY-GJZGRUSLSA-N 0 3 301.394 2.235 20 30 DEEDHN C=CC[C@H](C)[N@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588539778 1076452710 /nfs/dbraw/zinc/45/27/10/1076452710.db2.gz YTPLVOWTDHASPO-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[C@H](C)[N@@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588539778 1076452711 /nfs/dbraw/zinc/45/27/11/1076452711.db2.gz YTPLVOWTDHASPO-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[C@H](C)[N@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588539778 1076452715 /nfs/dbraw/zinc/45/27/15/1076452715.db2.gz YTPLVOWTDHASPO-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[C@H](C)[N@@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588539778 1076452718 /nfs/dbraw/zinc/45/27/18/1076452718.db2.gz YTPLVOWTDHASPO-ZDUSSCGKSA-N 0 3 301.394 2.280 20 30 DEEDHN C=C(C)C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)OCC ZINC001589370749 1076487411 /nfs/dbraw/zinc/48/74/11/1076487411.db2.gz FBDRYLWEXCKJDF-GJZGRUSLSA-N 0 3 310.438 2.265 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001329459350 1148897483 /nfs/dbraw/zinc/89/74/83/1148897483.db2.gz JHILUUXONRBANU-NVXWUHKLSA-N 0 3 301.434 2.278 20 30 DEEDHN C=C(C)CC[NH2+]C[C@]1(NC(=O)c2cn[n-]n2)CCCC[C@H]1C ZINC001267869864 1079555981 /nfs/dbraw/zinc/55/59/81/1079555981.db2.gz HGQGTCUTHVYXOA-CZUORRHYSA-N 0 3 305.426 2.039 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCOC2)cc1 ZINC001272682136 1079567701 /nfs/dbraw/zinc/56/77/01/1079567701.db2.gz IDJTXRXQHVTHPY-MAUKXSAKSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C3CC3)no2)cc1 ZINC001267939444 1079619887 /nfs/dbraw/zinc/61/98/87/1079619887.db2.gz MAWDORRQRMVSGF-UHFFFAOYSA-N 0 3 309.369 2.205 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@@H]1C ZINC001283968944 1079637557 /nfs/dbraw/zinc/63/75/57/1079637557.db2.gz MPORYFPQFNTNOB-KBPBESRZSA-N 0 3 305.447 2.334 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001484553189 1079657103 /nfs/dbraw/zinc/65/71/03/1079657103.db2.gz AOKMFSRINNZIGG-WMLDXEAASA-N 0 3 302.418 2.346 20 30 DEEDHN C=C(C)CCC(=O)NCc1ccc([C@@H](C)N[C@H](C)C(N)=O)cc1 ZINC001484560364 1079660874 /nfs/dbraw/zinc/66/08/74/1079660874.db2.gz YTTPWIKIDAEGFQ-ZIAGYGMSSA-N 0 3 317.433 2.184 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)CNCc1cc2n(n1)CCCC2 ZINC001267988740 1079669990 /nfs/dbraw/zinc/66/99/90/1079669990.db2.gz YQTGSQDODXLEBT-HNNXBMFYSA-N 0 3 318.465 2.418 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2snnc2C)CCC1 ZINC001268002422 1079684909 /nfs/dbraw/zinc/68/49/09/1079684909.db2.gz WVHSTDJDTAVGCQ-GFCCVEGCSA-N 0 3 322.478 2.435 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CCC[C@H]2C)CCC1 ZINC001484635274 1079694228 /nfs/dbraw/zinc/69/42/28/1079694228.db2.gz BTVAGRZBWNUMTL-CVEARBPZSA-N 0 3 306.450 2.091 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CC[C@H](C)C2)CCC1 ZINC001484647017 1079704167 /nfs/dbraw/zinc/70/41/67/1079704167.db2.gz BAYQLVMNMKCOFC-JKSUJKDBSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCNC1(CNC(=O)c2c(Cl)n[nH]c2C2CC2)CCC1 ZINC001484637412 1079705388 /nfs/dbraw/zinc/70/53/88/1079705388.db2.gz CMCNMDAKXVKBQR-UHFFFAOYSA-N 0 3 320.824 2.206 20 30 DEEDHN C#CCNC1(CNC(=O)C(C)(C)c2ccc(OC)cc2)CCC1 ZINC001484663729 1079717203 /nfs/dbraw/zinc/71/72/03/1079717203.db2.gz ZTDMVRNFCCRFNT-UHFFFAOYSA-N 0 3 314.429 2.235 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CCCC[C@@H](C)CC)CCO1 ZINC001484678826 1079723555 /nfs/dbraw/zinc/72/35/55/1079723555.db2.gz QXIBKLQQEITSSU-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CCCc2ccccn2)CC1 ZINC001484725459 1079749691 /nfs/dbraw/zinc/74/96/91/1079749691.db2.gz AGNYLXRIJISMNA-SFHVURJKSA-N 0 3 313.445 2.398 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CCOc2ccccc2C)CC1 ZINC001484728844 1079750923 /nfs/dbraw/zinc/75/09/23/1079750923.db2.gz XAKJTDFIUPVJHR-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)CCCC2CC2)CC1 ZINC001484720098 1079755211 /nfs/dbraw/zinc/75/52/11/1079755211.db2.gz JHVCVXAZKVSQKE-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCc2cncn2C1)c1ccccc1 ZINC001481365730 1079759225 /nfs/dbraw/zinc/75/92/25/1079759225.db2.gz RWSWBFPIZFPITA-AEFFLSMTSA-N 0 3 324.428 2.079 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cnn(CCC)c1)c1ccccc1 ZINC001481370935 1079762128 /nfs/dbraw/zinc/76/21/28/1079762128.db2.gz OOJVBHAWJPMIDC-SFHVURJKSA-N 0 3 324.428 2.377 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@@]1(C)CCCOC1)c1ccccc1 ZINC001481371870 1079763893 /nfs/dbraw/zinc/76/38/93/1079763893.db2.gz BEEPZQGXPXDQGT-MJGOQNOKSA-N 0 3 314.429 2.274 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1OCCc2ccccc21 ZINC001484752769 1079781077 /nfs/dbraw/zinc/78/10/77/1079781077.db2.gz HOSBGOGLPJURNR-GOSISDBHSA-N 0 3 314.429 2.104 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCOc1cccc(C)c1 ZINC001484767805 1079793607 /nfs/dbraw/zinc/79/36/07/1079793607.db2.gz ASTDCFHNEYXTMS-UHFFFAOYSA-N 0 3 302.418 2.177 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)COCC ZINC001484822290 1079814855 /nfs/dbraw/zinc/81/48/55/1079814855.db2.gz OFLKFGJRUVSEQX-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](OCC)C2CC2)cc1 ZINC001272690636 1079821600 /nfs/dbraw/zinc/82/16/00/1079821600.db2.gz CFWASROATBQMOR-RDTXWAMCSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@](CO)(NCC#CC)C2)CCCC1 ZINC001484856064 1079825749 /nfs/dbraw/zinc/82/57/49/1079825749.db2.gz MYPOGGNOLNCXLV-IBGZPJMESA-N 0 3 318.461 2.089 20 30 DEEDHN CCCC(=O)N1C[C@H](NCC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001484877710 1079834354 /nfs/dbraw/zinc/83/43/54/1079834354.db2.gz HWISIZVTQIKAQT-YOEHRIQHSA-N 0 3 302.393 2.414 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCn2cccn2)CC1(C)C ZINC001484936802 1079868946 /nfs/dbraw/zinc/86/89/46/1079868946.db2.gz MPTIDKIVTUCKAK-MRXNPFEDSA-N 0 3 318.465 2.456 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C[C@@H](C)OC)CC2)C1 ZINC001485008631 1079915999 /nfs/dbraw/zinc/91/59/99/1079915999.db2.gz PSMUROTXOVVOKE-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCCCC(=O)N1CCC2(CN(CCOCC=C)C2)CC1 ZINC001268043229 1079918120 /nfs/dbraw/zinc/91/81/20/1079918120.db2.gz FRHXPPILNGKVJE-UHFFFAOYSA-N 0 3 318.461 2.307 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001481528918 1080005406 /nfs/dbraw/zinc/00/54/06/1080005406.db2.gz UIVBYKYSABRBJJ-MRXNPFEDSA-N 0 3 302.422 2.417 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC001481530870 1080008709 /nfs/dbraw/zinc/00/87/09/1080008709.db2.gz UCJDPPZUVHNPKH-CQSZACIVSA-N 0 3 320.820 2.323 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1c(C)nnn1CC ZINC001268076957 1080026822 /nfs/dbraw/zinc/02/68/22/1080026822.db2.gz HWMLEXBVHITWMG-ZDUSSCGKSA-N 0 3 321.469 2.145 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001656106265 1080044537 /nfs/dbraw/zinc/04/45/37/1080044537.db2.gz VZXKPAPUSJDUNU-HNNXBMFYSA-N 0 3 314.433 2.467 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](C)[C@@H](C)NCc1ccccn1 ZINC001485219420 1080062928 /nfs/dbraw/zinc/06/29/28/1080062928.db2.gz XXXZSHLNTTUXSM-CVEARBPZSA-N 0 3 321.424 2.288 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC001268096110 1080069129 /nfs/dbraw/zinc/06/91/29/1080069129.db2.gz OPFQTVOPHWQDLZ-DLBZAZTESA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCOCC(F)(F)F)[C@H]1CC ZINC001656720498 1080117725 /nfs/dbraw/zinc/11/77/25/1080117725.db2.gz PUZWYJOBFGQQEJ-NWDGAFQWSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCC[NH2+][C@H]1CCCCCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001656899051 1080136277 /nfs/dbraw/zinc/13/62/77/1080136277.db2.gz JDMLCDHPAWDWFS-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCCCCC(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001481621776 1080151032 /nfs/dbraw/zinc/15/10/32/1080151032.db2.gz VLNLZHWUVWYQLV-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCCO[C@@H]2CCOC2)C1 ZINC001268194029 1080180362 /nfs/dbraw/zinc/18/03/62/1080180362.db2.gz SGRBVYKGIXBANT-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCCC(=O)N(C)CCN(C)CCc1scnc1C ZINC001268236267 1080217390 /nfs/dbraw/zinc/21/73/90/1080217390.db2.gz VEAXHAQSYNTWOC-UHFFFAOYSA-N 0 3 307.463 2.188 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC001659206358 1080234954 /nfs/dbraw/zinc/23/49/54/1080234954.db2.gz ILJLCIQAGCCCMB-LBPRGKRZSA-N 0 3 323.824 2.257 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(NC(C)=O)ccc1F ZINC001268259466 1080237918 /nfs/dbraw/zinc/23/79/18/1080237918.db2.gz MRHDDSQJVCQLOH-UHFFFAOYSA-N 0 3 321.396 2.364 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001485520010 1080277600 /nfs/dbraw/zinc/27/76/00/1080277600.db2.gz YOWUGHCWRZAZOP-CABCVRRESA-N 0 3 304.438 2.155 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001485522766 1080280714 /nfs/dbraw/zinc/28/07/14/1080280714.db2.gz OFGWBRNYWMWRSC-RYUDHWBXSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001485533566 1080288182 /nfs/dbraw/zinc/28/81/82/1080288182.db2.gz SELNEUOOQRZKSW-LBPRGKRZSA-N 0 3 318.408 2.307 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCn2cccn2)C(C)(C)C1 ZINC001485580179 1080311568 /nfs/dbraw/zinc/31/15/68/1080311568.db2.gz CJPNNRZQAMNWFS-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)c1ccc[nH]1 ZINC001268341876 1080341317 /nfs/dbraw/zinc/34/13/17/1080341317.db2.gz IXCBLOGHSQJUDG-GFCCVEGCSA-N 0 3 314.364 2.324 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2nccs2)C1 ZINC001485704922 1080371242 /nfs/dbraw/zinc/37/12/42/1080371242.db2.gz FZTSMTZMLQXJAG-HAQNSBGRSA-N 0 3 313.854 2.313 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2cc(C)nc(C)c2)C1 ZINC001481731063 1080399153 /nfs/dbraw/zinc/39/91/53/1080399153.db2.gz YTCJSVSZDOUPMA-QGZVFWFLSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1 ZINC001485731142 1080404990 /nfs/dbraw/zinc/40/49/90/1080404990.db2.gz QLVCYGCYGUKROM-CYBMUJFWSA-N 0 3 323.824 2.252 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1nccnc1C ZINC001268389492 1080408412 /nfs/dbraw/zinc/40/84/12/1080408412.db2.gz NHVIDYFDTILATF-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCCCCCN1CCN(CCNC(=O)C#CC(C)C)CC1 ZINC001660921419 1080415513 /nfs/dbraw/zinc/41/55/13/1080415513.db2.gz LXJMFTSJEFXZPS-UHFFFAOYSA-N 0 3 319.493 2.126 20 30 DEEDHN Cc1cc(CN(C)CCOCCNC(=O)[C@H](C)C#N)c(C)s1 ZINC001485769070 1080423140 /nfs/dbraw/zinc/42/31/40/1080423140.db2.gz BNKNTTSUIGBGCW-GFCCVEGCSA-N 0 3 323.462 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCCc2ccccn2)CC1 ZINC001661078073 1080439064 /nfs/dbraw/zinc/43/90/64/1080439064.db2.gz KCGCPGSKWWKMJR-QGZVFWFLSA-N 0 3 311.429 2.008 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cncc(F)c1)C1CC1 ZINC001661157721 1080450261 /nfs/dbraw/zinc/45/02/61/1080450261.db2.gz WFKBWPCGFAQARN-OAHLLOKOSA-N 0 3 305.397 2.417 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2c(C)nsc2C)C1 ZINC001661304459 1080469252 /nfs/dbraw/zinc/46/92/52/1080469252.db2.gz WKIBFYJQAMFGQU-AWEZNQCLSA-N 0 3 305.447 2.254 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C)C1 ZINC001481765264 1080481068 /nfs/dbraw/zinc/48/10/68/1080481068.db2.gz UAQPBCNBMFCONH-HNNXBMFYSA-N 0 3 305.422 2.062 20 30 DEEDHN CC[C@H](CNC(=O)CC1CC1)NCc1cc(C#N)ccc1OC ZINC001481782344 1080501622 /nfs/dbraw/zinc/50/16/22/1080501622.db2.gz FBWCFKLTDUGXGR-MRXNPFEDSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1OC ZINC001212349223 1080550715 /nfs/dbraw/zinc/55/07/15/1080550715.db2.gz KPJLNJDCVPVBOM-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)o2)C1 ZINC001661984939 1080555746 /nfs/dbraw/zinc/55/57/46/1080555746.db2.gz ZJNOJSXJEDPPRC-HOTGVXAUSA-N 0 3 318.417 2.068 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)o2)C1 ZINC001661984938 1080555766 /nfs/dbraw/zinc/55/57/66/1080555766.db2.gz ZJNOJSXJEDPPRC-CVEARBPZSA-N 0 3 318.417 2.068 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001662470233 1080610956 /nfs/dbraw/zinc/61/09/56/1080610956.db2.gz IWQURCAVCGGDMY-HIFRSBDPSA-N 0 3 308.447 2.420 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2ccn(C)n2)C1 ZINC001662759719 1080649538 /nfs/dbraw/zinc/64/95/38/1080649538.db2.gz PUCSYWLKAYRWRO-HUUCEWRRSA-N 0 3 304.438 2.293 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1nccnc1C ZINC001662970726 1080681039 /nfs/dbraw/zinc/68/10/39/1080681039.db2.gz MCTUKFLEOTUVMJ-CXAGYDPISA-N 0 3 304.438 2.372 20 30 DEEDHN CC(C)N(C)CC(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107234284 1080688203 /nfs/dbraw/zinc/68/82/03/1080688203.db2.gz XSXCJEXRHYYBOE-SNAWJCMRSA-N 0 3 318.396 2.122 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cnn(C)c1C ZINC001663031768 1080689384 /nfs/dbraw/zinc/68/93/84/1080689384.db2.gz SACLMHOBHXFMSR-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@@H](C)C#N)c1 ZINC001268519932 1080708841 /nfs/dbraw/zinc/70/88/41/1080708841.db2.gz VLMBMHHANVAATF-RGDDUWESSA-N 0 3 315.417 2.395 20 30 DEEDHN Cc1nocc1CN1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12 ZINC001107336473 1080735015 /nfs/dbraw/zinc/73/50/15/1080735015.db2.gz MDHGNZUTSYGBEX-XGWLTEMNSA-N 0 3 316.405 2.004 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCC1CCN([C@@H](CC)C(N)=O)CC1 ZINC001482048131 1080744056 /nfs/dbraw/zinc/74/40/56/1080744056.db2.gz FSSFTMOUUKSXSV-HNNXBMFYSA-N 0 3 323.481 2.071 20 30 DEEDHN CC[C@@H](F)C(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001268574959 1080790434 /nfs/dbraw/zinc/79/04/34/1080790434.db2.gz NZABQSXTNFRZBV-RDFMZFSFSA-N 0 3 307.344 2.207 20 30 DEEDHN CS[C@@H](C)CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663891480 1080833592 /nfs/dbraw/zinc/83/35/92/1080833592.db2.gz UKQIPAPHFGWWBF-LBPRGKRZSA-N 0 3 323.437 2.387 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001663927559 1080838570 /nfs/dbraw/zinc/83/85/70/1080838570.db2.gz DKWCCVBQRGHFFV-QWHCGFSZSA-N 0 3 324.371 2.112 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[C@@H]1CCCO1 ZINC001268638095 1080909287 /nfs/dbraw/zinc/90/92/87/1080909287.db2.gz FFSROQZBYFJGJK-AEFFLSMTSA-N 0 3 314.429 2.092 20 30 DEEDHN C#CCCN[C@H](CNC(=O)COC1CCCC1)c1ccccc1 ZINC001664572834 1080926829 /nfs/dbraw/zinc/92/68/29/1080926829.db2.gz GBEMUVHFQCELHY-GOSISDBHSA-N 0 3 314.429 2.416 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC001664830536 1080967746 /nfs/dbraw/zinc/96/77/46/1080967746.db2.gz VMBZCTZATBWVPY-HZPDHXFCSA-N 0 3 318.465 2.303 20 30 DEEDHN CN(CCCNCc1cc(O)ccc1Cl)C(=O)C#CC1CC1 ZINC001268790967 1080993213 /nfs/dbraw/zinc/99/32/13/1080993213.db2.gz FHECQLJXAHXVSH-UHFFFAOYSA-N 0 3 320.820 2.397 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001268812201 1081004292 /nfs/dbraw/zinc/00/42/92/1081004292.db2.gz SJEMZPMTFJJFCY-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN C#CCCN1CC(CNC(=O)CO[C@H]2CCCC[C@H]2CC)C1 ZINC001268828964 1081010364 /nfs/dbraw/zinc/01/03/64/1081010364.db2.gz RPQUUIGEIMRCQG-SJORKVTESA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCOc2cc(C)ccc2C)C1 ZINC001665354980 1081017723 /nfs/dbraw/zinc/01/77/23/1081017723.db2.gz UPXXDNXQMLKHCM-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001665400956 1081022858 /nfs/dbraw/zinc/02/28/58/1081022858.db2.gz LWZWLJFBYQLLHC-BQFCYCMXSA-N 0 3 312.413 2.241 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)n[nH]1 ZINC001665396424 1081023197 /nfs/dbraw/zinc/02/31/97/1081023197.db2.gz KTWAULZWOAPMKS-IHRRRGAJSA-N 0 3 318.421 2.062 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H](CC)Oc2ccccc2F)C1 ZINC001268896284 1081033945 /nfs/dbraw/zinc/03/39/45/1081033945.db2.gz NMHUBXLAGVYLIH-MRXNPFEDSA-N 0 3 318.392 2.054 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC001268949802 1081053969 /nfs/dbraw/zinc/05/39/69/1081053969.db2.gz ARCVPFIZZLVHOI-UHFFFAOYSA-N 0 3 323.824 2.080 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2ccnc12 ZINC001268974014 1081070192 /nfs/dbraw/zinc/07/01/92/1081070192.db2.gz ILFHXZIIGQEDES-GJZGRUSLSA-N 0 3 310.401 2.199 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCC(=O)N1CCCC[C@H]1C ZINC001665828225 1081086804 /nfs/dbraw/zinc/08/68/04/1081086804.db2.gz LCNYSGZZXISECW-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C[C@@H](O)c2ccc(CC)cc2)C1 ZINC001269118267 1081125199 /nfs/dbraw/zinc/12/51/99/1081125199.db2.gz PDLCQKOPOOZIDI-QZTJIDSGSA-N 0 3 316.445 2.439 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cnc3[nH]ccc3c2)cc1 ZINC001666337547 1081144928 /nfs/dbraw/zinc/14/49/28/1081144928.db2.gz JEDSYDUVBXHRIL-UHFFFAOYSA-N 0 3 318.380 2.167 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 ZINC001666337635 1081145266 /nfs/dbraw/zinc/14/52/66/1081145266.db2.gz LRVVYLLOHAZYJG-UHFFFAOYSA-N 0 3 324.428 2.360 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001666454041 1081153453 /nfs/dbraw/zinc/15/34/53/1081153453.db2.gz NKEDNTMZQGGXMH-TZMCWYRMSA-N 0 3 305.426 2.111 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCCc2csc(C)n2)C1 ZINC001269239581 1081179345 /nfs/dbraw/zinc/17/93/45/1081179345.db2.gz BWVIMMFCKNXXOL-HNNXBMFYSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CCNCC(=C)Cl ZINC001667238309 1081229060 /nfs/dbraw/zinc/22/90/60/1081229060.db2.gz KEURCAAGIVDDCI-AWEZNQCLSA-N 0 3 300.830 2.302 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001269278023 1081195283 /nfs/dbraw/zinc/19/52/83/1081195283.db2.gz BAUDJGYNQAYTMJ-CHWSQXEVSA-N 0 3 321.387 2.026 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C(C1CCC1)C1CCC1 ZINC001666976328 1081199111 /nfs/dbraw/zinc/19/91/11/1081199111.db2.gz BMOQOMUGBNSOKR-HNNXBMFYSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)o2)C1 ZINC001269317025 1081209857 /nfs/dbraw/zinc/20/98/57/1081209857.db2.gz AHSOYEPQKXQNAW-MRXNPFEDSA-N 0 3 320.433 2.256 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001269320767 1081211557 /nfs/dbraw/zinc/21/15/57/1081211557.db2.gz ITNANJDVHYAKTK-ZBFHGGJFSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cn1ncc2ccccc21 ZINC001269320679 1081211609 /nfs/dbraw/zinc/21/16/09/1081211609.db2.gz GYXGSLQSKRXBQA-MRXNPFEDSA-N 0 3 312.417 2.193 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H](CNCCF)CC(C)C ZINC001667118516 1081213515 /nfs/dbraw/zinc/21/35/15/1081213515.db2.gz RHLFMXAHWOKWEO-KRWDZBQOSA-N 0 3 304.409 2.300 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001269332693 1081216504 /nfs/dbraw/zinc/21/65/04/1081216504.db2.gz RDAATYGFZJRZNM-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC001667175233 1081220124 /nfs/dbraw/zinc/22/01/24/1081220124.db2.gz GEPVJBCWQNHOII-YOEHRIQHSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)COc1ccccc1F ZINC001269343223 1081222747 /nfs/dbraw/zinc/22/27/47/1081222747.db2.gz JIMJNQHSUTZMHE-AWEZNQCLSA-N 0 3 306.381 2.361 20 30 DEEDHN CC[C@H](CNC(=O)C[C@@H](C)OC)NCC#Cc1ccc(F)cc1 ZINC001269377222 1081233004 /nfs/dbraw/zinc/23/30/04/1081233004.db2.gz BTFGGJDCTVVNJL-RHSMWYFYSA-N 0 3 320.408 2.087 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCC(=O)NC1CCCCC1 ZINC001269448893 1081251069 /nfs/dbraw/zinc/25/10/69/1081251069.db2.gz PVPRUSYFSMCJTD-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1coc(Br)c1 ZINC001667574240 1081265213 /nfs/dbraw/zinc/26/52/13/1081265213.db2.gz CJEJUEZZPXYOGU-UHFFFAOYSA-N 0 3 301.184 2.232 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001269597492 1081301002 /nfs/dbraw/zinc/30/10/02/1081301002.db2.gz JRZILHBETJXORB-ICUGJSFKSA-N 0 3 318.461 2.300 20 30 DEEDHN COCC#CCN1CCC2(CCN(C(=O)C3=CCCC3)C2)CC1 ZINC001269703889 1081339385 /nfs/dbraw/zinc/33/93/85/1081339385.db2.gz GZAXNIYNJVDSTK-UHFFFAOYSA-N 0 3 316.445 2.061 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001668498087 1081360754 /nfs/dbraw/zinc/36/07/54/1081360754.db2.gz XSJQZFSIWFIFNA-GOSISDBHSA-N 0 3 314.429 2.150 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@H](C)C(=O)N[C@@H](C)CC)C1 ZINC001668549939 1081367941 /nfs/dbraw/zinc/36/79/41/1081367941.db2.gz MSWYZSVJOGDPJQ-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C/CNCc1cc(C)sc1C ZINC001668797441 1081397796 /nfs/dbraw/zinc/39/77/96/1081397796.db2.gz FPXBQPQWZPSAPY-LXXRFIIISA-N 0 3 322.474 2.454 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(C)no2)C[C@H]1C ZINC001269928698 1081403092 /nfs/dbraw/zinc/40/30/92/1081403092.db2.gz SHGIXBAECMULFS-HUUCEWRRSA-N 0 3 303.406 2.256 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001668934877 1081411135 /nfs/dbraw/zinc/41/11/35/1081411135.db2.gz BRXZGWNINIORKF-GFUIURDCSA-N 0 3 306.356 2.354 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001269985379 1081418217 /nfs/dbraw/zinc/41/82/17/1081418217.db2.gz GFXWVTWTDGULFR-HDJSIYSDSA-N 0 3 303.431 2.074 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H](C)Cc1ccccc1F ZINC001669039098 1081421682 /nfs/dbraw/zinc/42/16/82/1081421682.db2.gz JQQNZHMKXWSDAD-KIUWMYQTSA-N 0 3 302.393 2.290 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1cnc(C)nc1 ZINC001270058968 1081440018 /nfs/dbraw/zinc/44/00/18/1081440018.db2.gz PSWRTMHCKRDRER-INIZCTEOSA-N 0 3 302.422 2.222 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)n2cccc2)cc1 ZINC001270059861 1081440927 /nfs/dbraw/zinc/44/09/27/1081440927.db2.gz FXLMOAMSXPVRRD-INIZCTEOSA-N 0 3 309.413 2.478 20 30 DEEDHN CS[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001669511708 1081454142 /nfs/dbraw/zinc/45/41/42/1081454142.db2.gz XXLYPLUOMZFUPT-QWHCGFSZSA-N 0 3 308.422 2.023 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1CC(F)(F)C1 ZINC001669533528 1081456648 /nfs/dbraw/zinc/45/66/48/1081456648.db2.gz NZIMFBDZNGDISH-ZDUSSCGKSA-N 0 3 306.356 2.178 20 30 DEEDHN CO[C@@H](CN(C)C[C@@H](C)NC(=O)C#CC1CC1)c1ccccc1 ZINC001669807027 1081470359 /nfs/dbraw/zinc/47/03/59/1081470359.db2.gz YRWIDGJKDFRFKQ-QAPCUYQASA-N 0 3 314.429 2.224 20 30 DEEDHN CN(CCCNCc1ccc(C#N)cc1F)C(=O)C(C)(C)F ZINC001669990566 1081488158 /nfs/dbraw/zinc/48/81/58/1081488158.db2.gz ZQQGCFXHKUNOOS-UHFFFAOYSA-N 0 3 309.360 2.384 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000951366264 1081508307 /nfs/dbraw/zinc/50/83/07/1081508307.db2.gz VMUKJDAPVRTPIE-XJKSGUPXSA-N 0 3 316.449 2.184 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCOCC(F)(F)F)CC1 ZINC001671419387 1081516873 /nfs/dbraw/zinc/51/68/73/1081516873.db2.gz NJUGGLOGRFROLD-UHFFFAOYSA-N 0 3 308.344 2.112 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC2(CN(CCc3c[nH]c4ccccc34)C2)C1 ZINC001270506614 1081539695 /nfs/dbraw/zinc/53/96/95/1081539695.db2.gz BIZRAMBFIFSACS-CQSZACIVSA-N 0 3 322.412 2.014 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)CCOC)C2 ZINC001270514155 1081541440 /nfs/dbraw/zinc/54/14/40/1081541440.db2.gz WAHLSKXQJYNZCG-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCN1CC[C@H](N2CCN(C(=O)[C@H](C)CCCC)CC2)C1 ZINC001270518582 1081541574 /nfs/dbraw/zinc/54/15/74/1081541574.db2.gz BZKXWOGLOXLOLG-MSOLQXFVSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001671901481 1081547170 /nfs/dbraw/zinc/54/71/70/1081547170.db2.gz OZBDOKXXIXFFFG-YJBOKZPZSA-N 0 3 317.433 2.253 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001671917163 1081550132 /nfs/dbraw/zinc/55/01/32/1081550132.db2.gz WMLSSHKCQYNSHQ-SJLPKXTDSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001672044176 1081559444 /nfs/dbraw/zinc/55/94/44/1081559444.db2.gz HBRAUKQWBLMNSX-YJBOKZPZSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NCc2ccn(C)n2)C1 ZINC001672208888 1081566740 /nfs/dbraw/zinc/56/67/40/1081566740.db2.gz JHZXABYLULHYQS-GJZGRUSLSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NCc2nnc(C)[nH]2)C1 ZINC001672228234 1081569634 /nfs/dbraw/zinc/56/96/34/1081569634.db2.gz NVVHSBQZNLURLC-TZMCWYRMSA-N 0 3 319.453 2.042 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)COc2cc(C)ccc2C)C1 ZINC001270657607 1081587231 /nfs/dbraw/zinc/58/72/31/1081587231.db2.gz METXSJNZPIHUJG-IBGZPJMESA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001672388355 1081591827 /nfs/dbraw/zinc/59/18/27/1081591827.db2.gz GHMPHDXWKCAWAZ-MSOLQXFVSA-N 0 3 314.429 2.196 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001672498822 1081604654 /nfs/dbraw/zinc/60/46/54/1081604654.db2.gz BUUBXHFKZMGECJ-AEFFLSMTSA-N 0 3 320.408 2.216 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCC(=O)N[C@H](C)CC)CC1 ZINC001482327050 1081718977 /nfs/dbraw/zinc/71/89/77/1081718977.db2.gz HWUZRURMCNQVON-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(CC)n[nH]2)cc1 ZINC001672933635 1081723363 /nfs/dbraw/zinc/72/33/63/1081723363.db2.gz GXCJCSVHWAWCMF-CYBMUJFWSA-N 0 3 310.401 2.186 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)[C@@H](C)CNCc2cnccc2C)c1 ZINC001482329144 1081723972 /nfs/dbraw/zinc/72/39/72/1081723972.db2.gz IULNHPYVEKXEJD-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@]2(C)CC=CCC2)CCC1 ZINC001673172256 1081743739 /nfs/dbraw/zinc/74/37/39/1081743739.db2.gz LDQLNVZTRGHLFW-KRWDZBQOSA-N 0 3 304.434 2.011 20 30 DEEDHN CC[C@H]1CCC[C@@H]1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001673206080 1081746000 /nfs/dbraw/zinc/74/60/00/1081746000.db2.gz MSGSBOZMLLBUHX-HOTGVXAUSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2cccc(C)c2Cl)CCO1 ZINC001673323018 1081755018 /nfs/dbraw/zinc/75/50/18/1081755018.db2.gz RNZBPYWTAULWBT-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)CCC3CC3)C2)CC1 ZINC001673346951 1081756803 /nfs/dbraw/zinc/75/68/03/1081756803.db2.gz GLRAYOCBCBPCNA-SFHVURJKSA-N 0 3 319.493 2.361 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cncn2C)CCCC1 ZINC001482371332 1081768682 /nfs/dbraw/zinc/76/86/82/1081768682.db2.gz AYVYDNABOZHHAP-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCCOCC)C2 ZINC001673640092 1081787347 /nfs/dbraw/zinc/78/73/47/1081787347.db2.gz SCBSXIDOMUKLLL-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](OC)C2CCC2)C(C)(C)C1 ZINC001674022402 1081827283 /nfs/dbraw/zinc/82/72/83/1081827283.db2.gz CDJFTMLWWLVYBC-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001674039801 1081829149 /nfs/dbraw/zinc/82/91/49/1081829149.db2.gz WAOXOUBPSGPQRD-CVEARBPZSA-N 0 3 307.482 2.216 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2coc(CCC)n2)CC1 ZINC001270919790 1081838085 /nfs/dbraw/zinc/83/80/85/1081838085.db2.gz PTMFEOJPXPAXRY-UHFFFAOYSA-N 0 3 303.406 2.092 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2csc(C)n2)C[C@@H]1C ZINC001674148294 1081847705 /nfs/dbraw/zinc/84/77/05/1081847705.db2.gz VFBPCGBSNJQERQ-ZFWWWQNUSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccc3nccn32)C1 ZINC001270974573 1081860581 /nfs/dbraw/zinc/86/05/81/1081860581.db2.gz RSLVGWXGKAAHEJ-SFHVURJKSA-N 0 3 312.417 2.352 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc2nccnc21 ZINC001674491330 1081879621 /nfs/dbraw/zinc/87/96/21/1081879621.db2.gz MQQFKXHKXZKAPK-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnn(CC(C)C)c1 ZINC001674491211 1081880022 /nfs/dbraw/zinc/88/00/22/1081880022.db2.gz MKQMYASZETURNT-MRXNPFEDSA-N 0 3 304.438 2.262 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1cccc(C)c1 ZINC001674495392 1081882053 /nfs/dbraw/zinc/88/20/53/1081882053.db2.gz HTZJXBRRLPGBGC-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN(C[C@H](C)OC)CCC1(F)F ZINC001271094313 1081908560 /nfs/dbraw/zinc/90/85/60/1081908560.db2.gz WQIRODFJXFVLBM-STQMWFEESA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)c1ccccc1 ZINC001674639801 1081897909 /nfs/dbraw/zinc/89/79/09/1081897909.db2.gz JCTYUEYRQYXKIS-CABCVRRESA-N 0 3 317.433 2.098 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCC(=O)N1CCCCC1 ZINC001271093030 1081906636 /nfs/dbraw/zinc/90/66/36/1081906636.db2.gz MCKSDQDVUTVOCV-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN CN(CCNC(=O)C#CC(C)(C)C)CCOc1ccc(F)cc1 ZINC001266273045 1081931484 /nfs/dbraw/zinc/93/14/84/1081931484.db2.gz JOAWBHHRMLNNFW-UHFFFAOYSA-N 0 3 320.408 2.302 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001266274796 1081932996 /nfs/dbraw/zinc/93/29/96/1081932996.db2.gz BPLGNRFYSHLXSJ-ZIAGYGMSSA-N 0 3 322.836 2.487 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCc2ccccc2C)C1 ZINC001266344245 1081985925 /nfs/dbraw/zinc/98/59/25/1081985925.db2.gz FUSCCQVDQGWPOU-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN Cc1nc(CN[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)c(C)o1 ZINC001271394411 1082028273 /nfs/dbraw/zinc/02/82/73/1082028273.db2.gz JJVALIBGSNGNAV-CJNGLKHVSA-N 0 3 317.433 2.277 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cc(OC)ns1)C1CC1 ZINC001266423761 1082032233 /nfs/dbraw/zinc/03/22/33/1082032233.db2.gz JFLOJTNFRLPPIS-CYBMUJFWSA-N 0 3 323.462 2.348 20 30 DEEDHN Cc1ccccc1CN1CCC[C@H]1CNC(=O)CSCC#N ZINC001266446342 1082042434 /nfs/dbraw/zinc/04/24/34/1082042434.db2.gz DGYVXILTKATVHL-INIZCTEOSA-N 0 3 317.458 2.332 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCC1CC1 ZINC001266478382 1082064718 /nfs/dbraw/zinc/06/47/18/1082064718.db2.gz LZHNMUMMJIPZFS-OIISXLGYSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CCn2cccn2)CCC1 ZINC001266479743 1082064837 /nfs/dbraw/zinc/06/48/37/1082064837.db2.gz BYAWJBSSOOZSBZ-MRXNPFEDSA-N 0 3 316.449 2.210 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccnc1 ZINC001266496079 1082074774 /nfs/dbraw/zinc/07/47/74/1082074774.db2.gz AIPCSUWYFYTICJ-IYBDPMFKSA-N 0 3 315.417 2.102 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)OC ZINC001266496047 1082075069 /nfs/dbraw/zinc/07/50/69/1082075069.db2.gz ZPXBGKKPVSSYNJ-ROUUACIJSA-N 0 3 316.445 2.401 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001266538832 1082134341 /nfs/dbraw/zinc/13/43/41/1082134341.db2.gz VFXQETAVISPWIL-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C(=O)c1c(C)coc1C)C1CCN(CCOC)CC1 ZINC001671474476 1082142585 /nfs/dbraw/zinc/14/25/85/1082142585.db2.gz VCAKJIOMDOFUKJ-UHFFFAOYSA-N 0 3 318.417 2.083 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1OCCc2ccccc21 ZINC001266567067 1082164008 /nfs/dbraw/zinc/16/40/08/1082164008.db2.gz VQAJRGQPBXYRGO-GOSISDBHSA-N 0 3 314.429 2.152 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001271885393 1082180013 /nfs/dbraw/zinc/18/00/13/1082180013.db2.gz ONNICDJQPDKJKL-OCCSQVGLSA-N 0 3 320.437 2.189 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001266596171 1082182516 /nfs/dbraw/zinc/18/25/16/1082182516.db2.gz VGJYXOUJKBLJDH-JHJVBQTASA-N 0 3 313.405 2.163 20 30 DEEDHN C=C(C)CN(CCNC(=O)C[C@@H](C)n1ccc(C)n1)C1CC1 ZINC001266604557 1082191344 /nfs/dbraw/zinc/19/13/44/1082191344.db2.gz JILXHRUFYQAHKD-OAHLLOKOSA-N 0 3 304.438 2.299 20 30 DEEDHN O=C(CCC(F)F)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266605366 1082193376 /nfs/dbraw/zinc/19/33/76/1082193376.db2.gz HQGHGUOVJKPFQU-SHTZXODSSA-N 0 3 324.346 2.459 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](OC)C1CCC1)C(C)C ZINC001482548338 1082199467 /nfs/dbraw/zinc/19/94/67/1082199467.db2.gz YVDYXOLYRRCJCR-ZIAGYGMSSA-N 0 3 302.846 2.284 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN1CC1CCC2(CC2)CC1 ZINC001670640585 1082202413 /nfs/dbraw/zinc/20/24/13/1082202413.db2.gz GRMANXYFTVMEMG-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCC(=O)N[C@@]1(CO)CCCN(CCc2ccccc2)C1 ZINC001271949259 1082205296 /nfs/dbraw/zinc/20/52/96/1082205296.db2.gz HRVZIYCEPIHNMF-IBGZPJMESA-N 0 3 316.445 2.138 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001670683141 1082216241 /nfs/dbraw/zinc/21/62/41/1082216241.db2.gz ZVTGLTRHRYMRCF-CQSZACIVSA-N 0 3 320.437 2.265 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001670683141 1082216246 /nfs/dbraw/zinc/21/62/46/1082216246.db2.gz ZVTGLTRHRYMRCF-CQSZACIVSA-N 0 3 320.437 2.265 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)C(F)(F)c1ccc(C#N)cc1)CC2 ZINC001271976042 1082217517 /nfs/dbraw/zinc/21/75/17/1082217517.db2.gz NNWLUFVOKCZPMD-UHFFFAOYSA-N 0 3 319.355 2.204 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(C[C@@H]3CCCCO3)[C@@H]2C)C1 ZINC001088844211 1082251358 /nfs/dbraw/zinc/25/13/58/1082251358.db2.gz IIANIGLVJVOWSR-PMPSAXMXSA-N 0 3 306.450 2.491 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2(OC)CCC2)C1 ZINC001266659718 1082255963 /nfs/dbraw/zinc/25/59/63/1082255963.db2.gz RMSVCIXDLOOLRN-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001266707910 1082297133 /nfs/dbraw/zinc/29/71/33/1082297133.db2.gz IICMKPYOXUQVKS-CWRNSKLLSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@](C)(OC)c2ccccc2)C1 ZINC001266766962 1082331270 /nfs/dbraw/zinc/33/12/70/1082331270.db2.gz JTPZWKZDCOWYFC-VQIMIIECSA-N 0 3 314.429 2.010 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)COc2c(C)cccc2C)C1 ZINC001266768053 1082331914 /nfs/dbraw/zinc/33/19/14/1082331914.db2.gz WWCIRGQZKSSBIY-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)CN(C)c1ccccc1 ZINC001266857606 1082401789 /nfs/dbraw/zinc/40/17/89/1082401789.db2.gz ADGGVANAKYMXHX-SFHVURJKSA-N 0 3 313.445 2.117 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1csc2nccn12 ZINC001266860163 1082404314 /nfs/dbraw/zinc/40/43/14/1082404314.db2.gz YUMHZXQYIVICNB-CYBMUJFWSA-N 0 3 318.446 2.095 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)OCc1ccccc1C ZINC001482616040 1082406503 /nfs/dbraw/zinc/40/65/03/1082406503.db2.gz KUTXURLQHZESFB-INIZCTEOSA-N 0 3 304.434 2.476 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266889162 1082432737 /nfs/dbraw/zinc/43/27/37/1082432737.db2.gz BWSMNQRXMJADSN-DZGCQCFKSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC001482653229 1082434399 /nfs/dbraw/zinc/43/43/99/1082434399.db2.gz GZLURJBEIDOQIL-UHFFFAOYSA-N 0 3 303.362 2.113 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCc2nc(C)cs2)C1 ZINC001266893364 1082435823 /nfs/dbraw/zinc/43/58/23/1082435823.db2.gz ZZHJXXRQQBYAPD-LSDHHAIUSA-N 0 3 319.474 2.234 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001266893586 1082436080 /nfs/dbraw/zinc/43/60/80/1082436080.db2.gz CSCIOENIYSXLKB-HZPDHXFCSA-N 0 3 306.450 2.065 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)c1ccc(F)cc1F ZINC001482651565 1082436448 /nfs/dbraw/zinc/43/64/48/1082436448.db2.gz LWXWZMRMNTZQNO-CYBMUJFWSA-N 0 3 308.372 2.482 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001266933045 1082461023 /nfs/dbraw/zinc/46/10/23/1082461023.db2.gz LMMNTWJUZIDIOO-CYBMUJFWSA-N 0 3 301.365 2.095 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C ZINC001279540734 1082462931 /nfs/dbraw/zinc/46/29/31/1082462931.db2.gz HNJNCGGEPSYWFV-HZPDHXFCSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NCc1ccnc(OC)c1 ZINC001266969065 1082482744 /nfs/dbraw/zinc/48/27/44/1082482744.db2.gz ZHIIFGUMCOSJQG-GUYCJALGSA-N 0 3 305.422 2.287 20 30 DEEDHN C=CCCC(=O)NC[C@@H](O)CNCc1ccc(Cl)c(F)c1 ZINC001482713397 1082494056 /nfs/dbraw/zinc/49/40/56/1082494056.db2.gz MIVXDMGTKWTABC-LBPRGKRZSA-N 0 3 314.788 2.012 20 30 DEEDHN Cc1cnc([C@H](C)NCC[C@@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001482830887 1082522575 /nfs/dbraw/zinc/52/25/75/1082522575.db2.gz BOLIJMYBWHLYLZ-HIFRSBDPSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CC12CCOCC2 ZINC001482904261 1082554490 /nfs/dbraw/zinc/55/44/90/1082554490.db2.gz CYKKNPLIDOVWIO-OLZOCXBDSA-N 0 3 300.830 2.040 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CCCC[C@H]1n1cccn1 ZINC001482929611 1082566126 /nfs/dbraw/zinc/56/61/26/1082566126.db2.gz CENXSRPZNWVZLH-IAGOWNOFSA-N 0 3 316.449 2.076 20 30 DEEDHN CC(C)(C)OCC(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001482998474 1082615966 /nfs/dbraw/zinc/61/59/66/1082615966.db2.gz BINBEVBTFVMMQD-PLNGDYQASA-N 0 3 315.417 2.135 20 30 DEEDHN Cc1cc(CN2CC[C@H]3CN(C(=O)C#CC(C)C)CC[C@@H]32)on1 ZINC001272206059 1082666901 /nfs/dbraw/zinc/66/69/01/1082666901.db2.gz MICTXEYBCDCWTC-RDJZCZTQSA-N 0 3 315.417 2.065 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC/C=C\CNC/C=C\Cl ZINC001483086038 1082698597 /nfs/dbraw/zinc/69/85/97/1082698597.db2.gz CYLRLKIFQZFLRJ-ICZHLNMZSA-N 0 3 302.805 2.225 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001483087239 1082699889 /nfs/dbraw/zinc/69/98/89/1082699889.db2.gz LHFGUCXHRLRZGE-NFAHFFEMSA-N 0 3 318.392 2.016 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCOc1ccccc1C ZINC001483093647 1082703152 /nfs/dbraw/zinc/70/31/52/1082703152.db2.gz SDKSYDPKKNSKLI-BQYQJAHWSA-N 0 3 300.402 2.049 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)[C@H](C)c1ccccc1C ZINC001483096571 1082705527 /nfs/dbraw/zinc/70/55/27/1082705527.db2.gz WXTPVNOIVVIRCL-JTGQJZMRSA-N 0 3 314.429 2.010 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H](F)CC)C1 ZINC001409288131 1082742896 /nfs/dbraw/zinc/74/28/96/1082742896.db2.gz MXMHHJMXOJRMNY-ILDUYXDCSA-N 0 3 307.207 2.128 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C[C@H](C)c1ccccc1C ZINC001483172801 1082791209 /nfs/dbraw/zinc/79/12/09/1082791209.db2.gz XIZFLSRVAXTTJG-DLBZAZTESA-N 0 3 316.445 2.233 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC1(O)CCC1 ZINC001409443266 1082891944 /nfs/dbraw/zinc/89/19/44/1082891944.db2.gz JJKTXFGLKRQGRV-UHFFFAOYSA-N 0 3 302.846 2.118 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C1(F)CCCC1 ZINC001483242358 1083052487 /nfs/dbraw/zinc/05/24/87/1083052487.db2.gz GUHYGDMPZQBWIZ-HNNXBMFYSA-N 0 3 302.393 2.415 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)C(C)(C)C ZINC001483286307 1083073188 /nfs/dbraw/zinc/07/31/88/1083073188.db2.gz WLDSVYLVYACZAF-LBPRGKRZSA-N 0 3 303.406 2.207 20 30 DEEDHN O=C(C#CC1CC1)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107397985 1083372403 /nfs/dbraw/zinc/37/24/03/1083372403.db2.gz FUMZDFDKQFNSHG-UYAOXDASSA-N 0 3 323.440 2.356 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cccc(COC)c2)C1 ZINC001276453169 1083447199 /nfs/dbraw/zinc/44/71/99/1083447199.db2.gz JDWYMUMADQHPBJ-HNNXBMFYSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)Cc2ccccc2C)C1 ZINC001276460096 1083448221 /nfs/dbraw/zinc/44/82/21/1083448221.db2.gz INXNYVBEZZGLNU-MRXNPFEDSA-N 0 3 316.445 2.177 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001077614369 1083467876 /nfs/dbraw/zinc/46/78/76/1083467876.db2.gz AXZZLHMZXRBQEO-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001276883798 1083661845 /nfs/dbraw/zinc/66/18/45/1083661845.db2.gz MYFFASPBXDCXQV-QWHCGFSZSA-N 0 3 313.405 2.068 20 30 DEEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001276885729 1083665885 /nfs/dbraw/zinc/66/58/85/1083665885.db2.gz QPTXCBYLBMLSNF-VBQJREDUSA-N 0 3 302.422 2.408 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001276891772 1083667558 /nfs/dbraw/zinc/66/75/58/1083667558.db2.gz MIXCCZDODYZXJH-ZXXIGWHRSA-N 0 3 318.461 2.347 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC001276987492 1083720937 /nfs/dbraw/zinc/72/09/37/1083720937.db2.gz DOGPQUUVIWTCCR-HDJSIYSDSA-N 0 3 304.438 2.007 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CC2CCCCCC2)CCO1 ZINC001107821276 1083735308 /nfs/dbraw/zinc/73/53/08/1083735308.db2.gz LYFOAEZNEOCOML-MAUKXSAKSA-N 0 3 321.465 2.324 20 30 DEEDHN C=CCNC(=O)N1C[C@H]2CN(C[C@@H](CC)CCCC)C[C@@H](C1)O2 ZINC001277174191 1083828672 /nfs/dbraw/zinc/82/86/72/1083828672.db2.gz YMLJSYZQZBRSMC-YESZJQIVSA-N 0 3 323.481 2.483 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCc3ccccc3C2)CC1 ZINC001277233809 1083860113 /nfs/dbraw/zinc/86/01/13/1083860113.db2.gz NRJFKIWMWWDYIX-MRXNPFEDSA-N 0 3 310.441 2.443 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001077782412 1083880506 /nfs/dbraw/zinc/88/05/06/1083880506.db2.gz KFGOXFJAKJXZHJ-VXGBXAGGSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C ZINC001277332871 1083916329 /nfs/dbraw/zinc/91/63/29/1083916329.db2.gz QLEKKKKDJLFUSC-KGLIPLIRSA-N 0 3 320.462 2.492 20 30 DEEDHN C=CCNC(=O)[C@H](C)N(C)C1CCN(C(=O)CCC(C)C)CC1 ZINC001277378953 1083933595 /nfs/dbraw/zinc/93/35/95/1083933595.db2.gz HGHWXPPFSGWNFE-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001277404456 1083951373 /nfs/dbraw/zinc/95/13/73/1083951373.db2.gz BSMIVJIHLLUSIC-VQIMIIECSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C/C(C)=C/CC(=O)N1CCC(N(CC#CC)CCOC)CC1 ZINC001277405033 1083952367 /nfs/dbraw/zinc/95/23/67/1083952367.db2.gz LEMPOIFRZMVDLA-CAOOACKPSA-N 0 3 318.461 2.472 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1)C(F)F ZINC001490980971 1083985422 /nfs/dbraw/zinc/98/54/22/1083985422.db2.gz GQEBCFDUBUIRLV-BETUJISGSA-N 0 3 312.747 2.193 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001491060220 1084037435 /nfs/dbraw/zinc/03/74/35/1084037435.db2.gz MDMGRKBPNMJKCB-TXEJJXNPSA-N 0 3 323.462 2.491 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001491125314 1084098888 /nfs/dbraw/zinc/09/88/88/1084098888.db2.gz IIXJWWOHGMJQSE-QWHCGFSZSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001491233748 1084171941 /nfs/dbraw/zinc/17/19/41/1084171941.db2.gz GAUAHFNMEXYFFT-MRXNPFEDSA-N 0 3 312.417 2.262 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C(C)(C)CC)CC1 ZINC001670998457 1084196480 /nfs/dbraw/zinc/19/64/80/1084196480.db2.gz CCNRSHJHSBSMCJ-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C2CC(C)C2)CC2(CCOCC2)C1 ZINC001089935653 1084218476 /nfs/dbraw/zinc/21/84/76/1084218476.db2.gz CRAGZLGBXQIQHP-GPANFISMSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3ccn4ccnc4c3)CC2)C1=O ZINC001272818559 1084252630 /nfs/dbraw/zinc/25/26/30/1084252630.db2.gz DEYMHTONLUEJJF-UHFFFAOYSA-N 0 3 324.428 2.335 20 30 DEEDHN CC(C)Oc1ccccc1CN[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001491412902 1084293834 /nfs/dbraw/zinc/29/38/34/1084293834.db2.gz CPAFMQDNRUVOBL-KGLIPLIRSA-N 0 3 303.406 2.228 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001491454089 1084327587 /nfs/dbraw/zinc/32/75/87/1084327587.db2.gz GHGFZJUOAWMBQX-LLVKDONJSA-N 0 3 314.838 2.036 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001491466364 1084328622 /nfs/dbraw/zinc/32/86/22/1084328622.db2.gz QKDRCPGCMVXVAO-NEPJUHHUSA-N 0 3 301.394 2.021 20 30 DEEDHN CCCCc1ccc(C(=O)NC[C@H](C)NCC#CCOC)cc1 ZINC001491519261 1084368518 /nfs/dbraw/zinc/36/85/18/1084368518.db2.gz CPBOWJIWYPGHCB-INIZCTEOSA-N 0 3 316.445 2.387 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2nccn21 ZINC001235339809 1084396184 /nfs/dbraw/zinc/39/61/84/1084396184.db2.gz YXZXEVGXDSNLLJ-HOTGVXAUSA-N 0 3 316.449 2.259 20 30 DEEDHN Cc1cc(CN2CCC[C@@]3(CCCN(CCC#N)C3)C2)n(C)n1 ZINC001277938631 1084397315 /nfs/dbraw/zinc/39/73/15/1084397315.db2.gz CPWXPZVYOCRQNA-GOSISDBHSA-N 0 3 315.465 2.320 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C2CC3(CC3)C2)CC2(CCOCC2)C1 ZINC001089959604 1084443183 /nfs/dbraw/zinc/44/31/83/1084443183.db2.gz OVPHZKGOFJJCCI-INIZCTEOSA-N 0 3 318.461 2.350 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001078286889 1084636602 /nfs/dbraw/zinc/63/66/02/1084636602.db2.gz JUPBLIFGEMIWLL-ZIAGYGMSSA-N 0 3 308.466 2.186 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@@H]1C ZINC001078468146 1084704972 /nfs/dbraw/zinc/70/49/72/1084704972.db2.gz YRBSWUGHYSYHCK-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cnc(C)cn2)C12CCC2 ZINC001078543017 1084743711 /nfs/dbraw/zinc/74/37/11/1084743711.db2.gz IFWIOJHUIMIGOJ-ZIAGYGMSSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2c(C)ncn2C)C12CCC2 ZINC001078652857 1084796350 /nfs/dbraw/zinc/79/63/50/1084796350.db2.gz VJPDLCSKUXCBHC-OLZOCXBDSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2c(C)ncn2C)C12CCC2 ZINC001078652856 1084796875 /nfs/dbraw/zinc/79/68/75/1084796875.db2.gz VJPDLCSKUXCBHC-CHWSQXEVSA-N 0 3 322.840 2.112 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C(C)=C1CCCC1 ZINC001485860598 1084936393 /nfs/dbraw/zinc/93/63/93/1084936393.db2.gz IGBWWEDKLSDNDF-ZFWWWQNUSA-N 0 3 321.465 2.004 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1c(C)cc(F)cc1C ZINC001485908376 1084974441 /nfs/dbraw/zinc/97/44/41/1084974441.db2.gz QPGLGQGPMAQCHA-OAHLLOKOSA-N 0 3 320.408 2.142 20 30 DEEDHN CC[C@H](CC(F)(F)F)C(=O)N(C)C[C@H](C)NCC#CCOC ZINC001485943757 1085011039 /nfs/dbraw/zinc/01/10/39/1085011039.db2.gz DENWYSZDGKNYEJ-QWHCGFSZSA-N 0 3 322.371 2.051 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](CO)N[C@H](C)c1cccc(Cl)c1 ZINC001485995075 1085028059 /nfs/dbraw/zinc/02/80/59/1085028059.db2.gz XWKKFSANEFFBMJ-CJNGLKHVSA-N 0 3 322.836 2.127 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@@H]1C ZINC001486096041 1085056486 /nfs/dbraw/zinc/05/64/86/1085056486.db2.gz OMYWAYVGZUJPDN-DZGCQCFKSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001486115848 1085073005 /nfs/dbraw/zinc/07/30/05/1085073005.db2.gz UBNYRAKNNXGPRL-UKRRQHHQSA-N 0 3 316.449 2.162 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001486115847 1085073350 /nfs/dbraw/zinc/07/33/50/1085073350.db2.gz UBNYRAKNNXGPRL-HIFRSBDPSA-N 0 3 316.449 2.162 20 30 DEEDHN Cc1cnc(CNC[C@H]2CC[C@@H](NC(=O)C#CC3CC3)C2)s1 ZINC001486200151 1085127153 /nfs/dbraw/zinc/12/71/53/1085127153.db2.gz HRSHWJNHJLXFMH-LSDHHAIUSA-N 0 3 317.458 2.239 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001486211653 1085143405 /nfs/dbraw/zinc/14/34/05/1085143405.db2.gz WZGOXVTYALABGC-KGLIPLIRSA-N 0 3 320.462 2.106 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC000960254799 1085166426 /nfs/dbraw/zinc/16/64/26/1085166426.db2.gz BVHZVPRKENSVMF-SJLPKXTDSA-N 0 3 323.396 2.349 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnc(OC)c1 ZINC000960281694 1085180474 /nfs/dbraw/zinc/18/04/74/1085180474.db2.gz RJDQCJTZPPEOPO-SJLPKXTDSA-N 0 3 323.396 2.262 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnc(C)n1 ZINC000960328666 1085199027 /nfs/dbraw/zinc/19/90/27/1085199027.db2.gz DDLBHDJAAIWUMF-QZTJIDSGSA-N 0 3 322.412 2.347 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1[nH]cnc1C ZINC000960347443 1085208246 /nfs/dbraw/zinc/20/82/46/1085208246.db2.gz VVVOONSCFWCNGZ-NVXWUHKLSA-N 0 3 310.401 2.280 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)C(F)F ZINC000960349476 1085212180 /nfs/dbraw/zinc/21/21/80/1085212180.db2.gz IETBGHATLKQPGB-CQSZACIVSA-N 0 3 307.344 2.246 20 30 DEEDHN CC[C@H](C)C(=O)NC1(C2CCN(CC#CCOC)CC2)CC1 ZINC001486486248 1085358776 /nfs/dbraw/zinc/35/87/76/1085358776.db2.gz FOSSRYDMFJLDRK-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN O=C(C#CC1CC1)NC1(C2CCN(Cc3cccnc3)CC2)CC1 ZINC001486488649 1085367494 /nfs/dbraw/zinc/36/74/94/1085367494.db2.gz JLCDOHCDURJJGT-UHFFFAOYSA-N 0 3 323.440 2.356 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C[C@@H](OCC)C(C)C)CC2)CC1 ZINC001486488165 1085375993 /nfs/dbraw/zinc/37/59/93/1085375993.db2.gz BXQRWRGLHHOQMX-QGZVFWFLSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1cnc(C)s1 ZINC001128190266 1085504666 /nfs/dbraw/zinc/50/46/66/1085504666.db2.gz MXYYSNJDMQORIM-UHFFFAOYSA-N 0 3 301.843 2.436 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3ccc(O)cc3)CC2)C1=O ZINC001272951909 1085521954 /nfs/dbraw/zinc/52/19/54/1085521954.db2.gz DKEMMHJDKUUNNI-IBGZPJMESA-N 0 3 312.413 2.230 20 30 DEEDHN COCC#CCNCCNC(=O)c1csc2cc(C)ccc12 ZINC001128233232 1085609059 /nfs/dbraw/zinc/60/90/59/1085609059.db2.gz BPGZFKXNAXKOMC-UHFFFAOYSA-N 0 3 316.426 2.179 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCN(CCF)C3)C2)c[nH]1 ZINC000961151701 1085612869 /nfs/dbraw/zinc/61/28/69/1085612869.db2.gz OTTIGBBJBVSKBY-KBPBESRZSA-N 0 3 318.396 2.030 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccccc1NC(C)=O ZINC001168708363 1085804225 /nfs/dbraw/zinc/80/42/25/1085804225.db2.gz ZXOOKICICLMSBG-UHFFFAOYSA-N 0 3 323.824 2.036 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@]2(CCN(CC(F)F)C2=O)C1 ZINC001272990757 1085817544 /nfs/dbraw/zinc/81/75/44/1085817544.db2.gz JJVUIDPNGKWZRA-KRWDZBQOSA-N 0 3 319.355 2.248 20 30 DEEDHN Cc1ncoc1C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000961680465 1085824288 /nfs/dbraw/zinc/82/42/88/1085824288.db2.gz BGPPFWCBTXZMSC-UHFFFAOYSA-N 0 3 324.384 2.153 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC000961813076 1085868028 /nfs/dbraw/zinc/86/80/28/1085868028.db2.gz GQLYTCURQZVEPQ-KWCHVYNWSA-N 0 3 319.355 2.198 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)c(C)o1)CC2 ZINC001273012661 1085953603 /nfs/dbraw/zinc/95/36/03/1085953603.db2.gz UPHXALKVIAFUMN-MRXNPFEDSA-N 0 3 300.402 2.248 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)c2ncccc2c1 ZINC000962062795 1085957526 /nfs/dbraw/zinc/95/75/26/1085957526.db2.gz WWUCXVQLFMTKTO-HALDLXJZSA-N 0 3 311.360 2.220 20 30 DEEDHN Cc1cnoc1C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000962487224 1086132373 /nfs/dbraw/zinc/13/23/73/1086132373.db2.gz AOHJZSWIDSHAMI-UHFFFAOYSA-N 0 3 324.384 2.153 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3ccncn3)C2)C1=O ZINC001273115983 1086248713 /nfs/dbraw/zinc/24/87/13/1086248713.db2.gz FWZHPVUMUJNFFR-IBGZPJMESA-N 0 3 320.396 2.153 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCCC)[C@@H](n2ccnn2)C1 ZINC001128715858 1086344097 /nfs/dbraw/zinc/34/40/97/1086344097.db2.gz HKRVEUIUHPWTDW-CVEARBPZSA-N 0 3 319.453 2.166 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@@H]1OCC)C2 ZINC000963585835 1086504183 /nfs/dbraw/zinc/50/41/83/1086504183.db2.gz ABEZLNUKZJEYEZ-JCIFFFGLSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CC1(F)F)C2 ZINC000963770173 1086556764 /nfs/dbraw/zinc/55/67/64/1086556764.db2.gz ZHNSKUBNZNVGSJ-XPOXDWOYSA-N 0 3 304.768 2.411 20 30 DEEDHN CSc1ccc([C@H](CNC(=O)NCCC#N)N(C)C)cc1 ZINC000458727417 1086834718 /nfs/dbraw/zinc/83/47/18/1086834718.db2.gz SXKCNUAPXRGJHR-AWEZNQCLSA-N 0 3 306.435 2.224 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001062331210 1086857258 /nfs/dbraw/zinc/85/72/58/1086857258.db2.gz HUSRPMYDTJGCTJ-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccc(C)c2Cl)[C@@H](O)C1 ZINC001083873260 1087032449 /nfs/dbraw/zinc/03/24/49/1087032449.db2.gz UJOBMANOGPSLNQ-CABCVRRESA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001063061323 1087341884 /nfs/dbraw/zinc/34/18/84/1087341884.db2.gz YKVKJIJMQJAOLJ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)CN(CC)CC)CCC1 ZINC001063130486 1087357007 /nfs/dbraw/zinc/35/70/07/1087357007.db2.gz BVYHSVLUSBYATJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001063346474 1087407119 /nfs/dbraw/zinc/40/71/19/1087407119.db2.gz PVQCGUDWKQWQAK-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1(CNC(=O)CN(C)CCC)CCC1 ZINC001063856169 1087495278 /nfs/dbraw/zinc/49/52/78/1087495278.db2.gz IHDGRYOYYMAEKZ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)CCC1 ZINC001273194179 1087705701 /nfs/dbraw/zinc/70/57/01/1087705701.db2.gz DLKWMRVRFARPJH-MRXNPFEDSA-N 0 3 314.429 2.414 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](F)CC)C[C@H]1c1cccc(F)c1 ZINC001079193743 1087758385 /nfs/dbraw/zinc/75/83/85/1087758385.db2.gz SQZKBRQTSNGVRZ-HRCADAONSA-N 0 3 306.356 2.091 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079263601 1087801943 /nfs/dbraw/zinc/80/19/43/1087801943.db2.gz CHZOLUNXOONOHV-YESZJQIVSA-N 0 3 320.477 2.404 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)c2cnccc2N(C)C)C1 ZINC000957286049 1088147306 /nfs/dbraw/zinc/14/73/06/1088147306.db2.gz PCPKPANYARPEII-UHFFFAOYSA-N 0 3 316.449 2.260 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114718298 1088241211 /nfs/dbraw/zinc/24/12/11/1088241211.db2.gz LBYLDUQMGIZKJE-QLPKVWCKSA-N 0 3 302.443 2.488 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114720482 1088267468 /nfs/dbraw/zinc/26/74/68/1088267468.db2.gz XLCZTEPOPPIKES-CBZIJGRNSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114729676 1088307368 /nfs/dbraw/zinc/30/73/68/1088307368.db2.gz WUJGUGLINNQLMU-KMANFZQXSA-N 0 3 306.450 2.062 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC=C)C1 ZINC001079977796 1088552560 /nfs/dbraw/zinc/55/25/60/1088552560.db2.gz JXRLFWUPESZLAS-NVXWUHKLSA-N 0 3 312.413 2.325 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001080082330 1088610292 /nfs/dbraw/zinc/61/02/92/1088610292.db2.gz DFNUOKUSRJSUEZ-HYVNUMGLSA-N 0 3 314.429 2.250 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001080230271 1088698954 /nfs/dbraw/zinc/69/89/54/1088698954.db2.gz OEGHFQISSGDHHN-BXUZGUMPSA-N 0 3 301.415 2.303 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC000958244835 1088879437 /nfs/dbraw/zinc/87/94/37/1088879437.db2.gz XWJNLHSSIUIALM-IRXDYDNUSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC000958317365 1088917612 /nfs/dbraw/zinc/91/76/12/1088917612.db2.gz WMVXJHSBPZPKTB-GOEBONIOSA-N 0 3 320.408 2.041 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2occc2C(C)C)C1 ZINC000958334548 1088928708 /nfs/dbraw/zinc/92/87/08/1088928708.db2.gz NURVRTNHZLZSGN-HIFRSBDPSA-N 0 3 306.406 2.002 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC000958453710 1088998020 /nfs/dbraw/zinc/99/80/20/1088998020.db2.gz PAXWGZLINNUWDD-CMPLNLGQSA-N 0 3 314.838 2.000 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001080509867 1089007718 /nfs/dbraw/zinc/00/77/18/1089007718.db2.gz HVZSEAHFVUTFEF-SJKOYZFVSA-N 0 3 315.392 2.472 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC000958611091 1089094121 /nfs/dbraw/zinc/09/41/21/1089094121.db2.gz XWCUEVIKFXPSKP-DLBZAZTESA-N 0 3 302.418 2.019 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001080635848 1089115145 /nfs/dbraw/zinc/11/51/45/1089115145.db2.gz XPPWXSQTPHLMAK-MLGOLLRUSA-N 0 3 320.820 2.422 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2sccc2C(C)C)C1 ZINC000958725045 1089151331 /nfs/dbraw/zinc/15/13/31/1089151331.db2.gz VHAQAQNWKBRAPN-OCCSQVGLSA-N 0 3 308.447 2.080 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001080829848 1089204756 /nfs/dbraw/zinc/20/47/56/1089204756.db2.gz VQIJBVDVIUEOQN-RDTXWAMCSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC001080860684 1089212452 /nfs/dbraw/zinc/21/24/52/1089212452.db2.gz VOYYXKPYHNIZGZ-RHSMWYFYSA-N 0 3 318.465 2.474 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2OC)C1 ZINC001080841395 1089215453 /nfs/dbraw/zinc/21/54/53/1089215453.db2.gz ODHSTQRSIZCKSL-CZUORRHYSA-N 0 3 318.417 2.330 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](CC)SC)C[C@H]1c1ccccc1 ZINC001081107798 1089354956 /nfs/dbraw/zinc/35/49/56/1089354956.db2.gz GNSATUBNSMHHJP-BBWFWOEESA-N 0 3 316.470 2.345 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ncccc2CC)[C@H](OC)C1 ZINC001081878223 1089499605 /nfs/dbraw/zinc/49/96/05/1089499605.db2.gz AYHXVDBZCBPQNA-HZPDHXFCSA-N 0 3 317.433 2.039 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@H](OC)C1 ZINC001081840367 1089513499 /nfs/dbraw/zinc/51/34/99/1089513499.db2.gz BYTAPLLDRXBCNA-HZPDHXFCSA-N 0 3 324.371 2.278 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@H](OC)C1 ZINC001082136446 1089733159 /nfs/dbraw/zinc/73/31/59/1089733159.db2.gz AQMBLKYNVUJDCU-IAGOWNOFSA-N 0 3 317.433 2.210 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@H](OC)C1 ZINC001082161489 1089753815 /nfs/dbraw/zinc/75/38/15/1089753815.db2.gz MEOGFTNBEMPHLG-IAGOWNOFSA-N 0 3 313.401 2.173 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H](OC)C1 ZINC001082210813 1089772025 /nfs/dbraw/zinc/77/20/25/1089772025.db2.gz SGUCTKXVIHABLB-BFYDXBDKSA-N 0 3 320.433 2.473 20 30 DEEDHN CSCC(=O)N1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000959861695 1089804241 /nfs/dbraw/zinc/80/42/41/1089804241.db2.gz JNRKFKHTCZUVSK-LBPRGKRZSA-N 0 3 323.487 2.453 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccccc2OC)[C@H](OC)C1 ZINC001082339526 1089864423 /nfs/dbraw/zinc/86/44/23/1089864423.db2.gz QLYUKTGMNHPWTF-NVXWUHKLSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001082721948 1090057822 /nfs/dbraw/zinc/05/78/22/1090057822.db2.gz QDFLXNFZFGNFRA-QBIMZIAESA-N 0 3 318.465 2.267 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCC3CCC3)[C@H]2C1 ZINC001083041654 1090149883 /nfs/dbraw/zinc/14/98/83/1090149883.db2.gz UYGCETRWHGHGQL-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc(COC)c3)[C@@H]2C1 ZINC001084494220 1090308642 /nfs/dbraw/zinc/30/86/42/1090308642.db2.gz YZKMXEIUSZSBBL-QZTJIDSGSA-N 0 3 312.413 2.003 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3nc(C)c(C)nc3C)[C@@H]2C1 ZINC001084505641 1090313032 /nfs/dbraw/zinc/31/30/32/1090313032.db2.gz LWPVMJNJXGESAH-HZPDHXFCSA-N 0 3 314.433 2.124 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1 ZINC001084565752 1090330569 /nfs/dbraw/zinc/33/05/69/1090330569.db2.gz RDQXZGYOSAZCTE-CXAGYDPISA-N 0 3 310.401 2.285 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3cc(C)ccc3C)[C@@H]2C1 ZINC001084630592 1090353074 /nfs/dbraw/zinc/35/30/74/1090353074.db2.gz MNSQIJVMNMPEDW-IEBWSBKVSA-N 0 3 310.441 2.402 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(COC)s1 ZINC001273223651 1090361159 /nfs/dbraw/zinc/36/11/59/1090361159.db2.gz LFBNVVNOZGIWLP-HZPDHXFCSA-N 0 3 318.442 2.093 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccc(CC)cn3)[C@@H]2C1 ZINC001084673463 1090381818 /nfs/dbraw/zinc/38/18/18/1090381818.db2.gz ZOCPBTJGJICCBY-SJLPKXTDSA-N 0 3 313.445 2.295 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc4nccnc43)[C@@H]2C1 ZINC001084738412 1090419804 /nfs/dbraw/zinc/41/98/04/1090419804.db2.gz HQPTYBMMFZZHNA-RHSMWYFYSA-N 0 3 322.412 2.352 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(CC)c[nH]c3=O)[C@@H]2C1 ZINC001084749460 1090421511 /nfs/dbraw/zinc/42/15/11/1090421511.db2.gz RKSMLOHXYGEUCL-GDBMZVCRSA-N 0 3 315.417 2.072 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001410225403 1090438189 /nfs/dbraw/zinc/43/81/89/1090438189.db2.gz NATMFGKEDSWATJ-BPLDGKMQSA-N 0 3 319.836 2.348 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccc(OC)cc3)[C@@H]2C1 ZINC001084793927 1090448969 /nfs/dbraw/zinc/44/89/69/1090448969.db2.gz ZIIQAYXZKXTTDO-SJLPKXTDSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sc(C)nc3C)[C@@H]2C1 ZINC001084819651 1090460279 /nfs/dbraw/zinc/46/02/79/1090460279.db2.gz LGGJXIKZZYCKFF-ZIAGYGMSSA-N 0 3 305.447 2.482 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3cncc(F)c3)[C@@H]2C1 ZINC001084870822 1090486904 /nfs/dbraw/zinc/48/69/04/1090486904.db2.gz FMKRPEWVTSBOJF-NVXWUHKLSA-N 0 3 317.408 2.262 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)c3ccco3)C[C@@H]21 ZINC001085074799 1090631689 /nfs/dbraw/zinc/63/16/89/1090631689.db2.gz CWHDCRBHHRKENF-OAGGEKHMSA-N 0 3 300.402 2.329 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3cccnc3)C[C@@H]21 ZINC001085076951 1090632885 /nfs/dbraw/zinc/63/28/85/1090632885.db2.gz SBROGYBPSBSCTP-JZXOWHBKSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OCC ZINC001098948944 1090637169 /nfs/dbraw/zinc/63/71/69/1090637169.db2.gz JZYUBWXWYMUONX-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC001085165257 1090683314 /nfs/dbraw/zinc/68/33/14/1090683314.db2.gz VZBTYPFAAGCFKF-CHWSQXEVSA-N 0 3 309.797 2.170 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C)[nH]n1 ZINC001085167121 1090683980 /nfs/dbraw/zinc/68/39/80/1090683980.db2.gz HXIYILSANLEOTP-ZIAGYGMSSA-N 0 3 310.829 2.030 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC001085167121 1090683981 /nfs/dbraw/zinc/68/39/81/1090683981.db2.gz HXIYILSANLEOTP-ZIAGYGMSSA-N 0 3 310.829 2.030 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1[nH]ccc1C ZINC001273355721 1091079218 /nfs/dbraw/zinc/07/92/18/1091079218.db2.gz NOCUGAXVKKHZIY-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccn2ccnc12 ZINC001273395028 1091154057 /nfs/dbraw/zinc/15/40/57/1091154057.db2.gz YHCGGMSHVRRFAF-HZPDHXFCSA-N 0 3 310.401 2.086 20 30 DEEDHN CC(C)CN1CC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001274284384 1091168900 /nfs/dbraw/zinc/16/89/00/1091168900.db2.gz VNTKYDJPZAECOL-GOSISDBHSA-N 0 3 312.417 2.034 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274300492 1091177869 /nfs/dbraw/zinc/17/78/69/1091177869.db2.gz JXXUBSPMGMMYLN-IBGZPJMESA-N 0 3 312.413 2.291 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274300492 1091177877 /nfs/dbraw/zinc/17/78/77/1091177877.db2.gz JXXUBSPMGMMYLN-IBGZPJMESA-N 0 3 312.413 2.291 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3c[nH]nc3CC)CC2)C1=O ZINC001274380926 1091217083 /nfs/dbraw/zinc/21/70/83/1091217083.db2.gz KBJWZPBQFRKFMQ-UHFFFAOYSA-N 0 3 316.449 2.363 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC001274435353 1091240428 /nfs/dbraw/zinc/24/04/28/1091240428.db2.gz JUALFIVHXXISSD-CQSZACIVSA-N 0 3 323.462 2.176 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C[C@@H](C)c1ccccc1OC ZINC001274510012 1091277570 /nfs/dbraw/zinc/27/75/70/1091277570.db2.gz LYNZILGNECKKAP-MVGZEHJDSA-N 0 3 300.402 2.084 20 30 DEEDHN Cc1cccnc1CN1CC[C@@H](NC(=O)C#CC2CC2)C[C@@H]1C ZINC001274624896 1091333344 /nfs/dbraw/zinc/33/33/44/1091333344.db2.gz SVSXVJBZOFMKSA-DOTOQJQBSA-N 0 3 311.429 2.273 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCCc2csc(C)n2)C[C@H]1C ZINC001274626406 1091335392 /nfs/dbraw/zinc/33/53/92/1091335392.db2.gz YTAKKCPXFSLFEK-UKRRQHHQSA-N 0 3 319.474 2.377 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCCCN1C)C(C)(C)C ZINC001411209831 1091421723 /nfs/dbraw/zinc/42/17/23/1091421723.db2.gz QLEWMNVXURKMKL-ZIAGYGMSSA-N 0 3 315.889 2.344 20 30 DEEDHN CN1CCO[C@@]2(CCCN(CCCc3ccc(C#N)cc3)C2)C1 ZINC001274891963 1091464683 /nfs/dbraw/zinc/46/46/83/1091464683.db2.gz JDQAZUJQPBLYDY-IBGZPJMESA-N 0 3 313.445 2.287 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCOCC)CC[C@@H]1C(F)(F)F ZINC001279173896 1091542782 /nfs/dbraw/zinc/54/27/82/1091542782.db2.gz PQEYHZPTSLXAIC-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1nc(C)oc1C ZINC001275080257 1091543894 /nfs/dbraw/zinc/54/38/94/1091543894.db2.gz BVOLEXFESLCONZ-SJLPKXTDSA-N 0 3 323.396 2.300 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C/C=C\Cl)CCO)CC1 ZINC001098464854 1091568861 /nfs/dbraw/zinc/56/88/61/1091568861.db2.gz JTIYKUJGZOGRKI-UITAMQMPSA-N 0 3 314.857 2.381 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2nccnc2c1 ZINC001275167180 1091597723 /nfs/dbraw/zinc/59/77/23/1091597723.db2.gz NMYVKULHLMVRDI-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1sc(COC)nc1C ZINC001275167006 1091597749 /nfs/dbraw/zinc/59/77/49/1091597749.db2.gz KLZNZWPLVVJMED-CYBMUJFWSA-N 0 3 323.462 2.320 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)CCc1cccnc1 ZINC001275219368 1091618768 /nfs/dbraw/zinc/61/87/68/1091618768.db2.gz NTPFOLKHQZRPCN-KRWDZBQOSA-N 0 3 321.424 2.160 20 30 DEEDHN C=CCOCCN1CCCCC[C@H]1CNC(=O)c1cc(C)no1 ZINC001276278870 1091761461 /nfs/dbraw/zinc/76/14/61/1091761461.db2.gz WVIJRWBSSVJTIF-HNNXBMFYSA-N 0 3 321.421 2.160 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2scnc2C)C1 ZINC001185020288 1091884852 /nfs/dbraw/zinc/88/48/52/1091884852.db2.gz UIFGBBBENNIITG-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001273561451 1091924339 /nfs/dbraw/zinc/92/43/39/1091924339.db2.gz YXKDRSCEZSOUEB-OAHLLOKOSA-N 0 3 304.409 2.418 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CCOc1ccccc1F ZINC001273584505 1091936587 /nfs/dbraw/zinc/93/65/87/1091936587.db2.gz RFMQFRVENNOFKC-UHFFFAOYSA-N 0 3 320.408 2.398 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2coc(C3CC3)n2)CC1 ZINC000948836376 1091962019 /nfs/dbraw/zinc/96/20/19/1091962019.db2.gz DMSQLFOXXPAHIN-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc(C#N)cn3)CC2)C1=O ZINC001273631664 1091965526 /nfs/dbraw/zinc/96/55/26/1091965526.db2.gz JJPCMOZSLIFRKO-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)C2(C)CCOCC2)CC1 ZINC000948860831 1091970257 /nfs/dbraw/zinc/97/02/57/1091970257.db2.gz HQTDGFYIDAXVKP-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(C(F)(F)F)ccn1 ZINC001273694861 1091999757 /nfs/dbraw/zinc/99/97/57/1091999757.db2.gz NPCNIOXKSFXTAT-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2c[nH]c3cccnc23)C1=O ZINC001273726230 1092018040 /nfs/dbraw/zinc/01/80/40/1092018040.db2.gz SQQDZTICVBWNPO-SFHVURJKSA-N 0 3 310.401 2.316 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](C)CN(C)CCOC(C)C ZINC001275706986 1092025395 /nfs/dbraw/zinc/02/53/95/1092025395.db2.gz ONUXELHZLMJAMY-INIZCTEOSA-N 0 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C#CCN1CCC2(C[C@@H](C)N(C(=O)CCOC(C)C)C2)CC1 ZINC001488974804 1092858753 /nfs/dbraw/zinc/85/87/53/1092858753.db2.gz VBEMUBKVXOKXGO-MRXNPFEDSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNCc1nccn1C ZINC001488988264 1092866833 /nfs/dbraw/zinc/86/68/33/1092866833.db2.gz OUPXPAGJCSJPNY-HZPDHXFCSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001489173545 1092946025 /nfs/dbraw/zinc/94/60/25/1092946025.db2.gz LHDOQDCCBKYWMH-CYBMUJFWSA-N 0 3 318.408 2.139 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(CC)n(C)n1 ZINC001489334167 1093025878 /nfs/dbraw/zinc/02/58/78/1093025878.db2.gz KZGIKIGJOUZEKC-HNNXBMFYSA-N 0 3 304.438 2.095 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(-c2ccco2)on1 ZINC001490231564 1093249337 /nfs/dbraw/zinc/24/93/37/1093249337.db2.gz IOTMSIPXWZJCLU-UHFFFAOYSA-N 0 3 301.346 2.010 20 30 DEEDHN CC#CCN(CCCNC(=O)c1csc2cncn21)C1CC1 ZINC001490387412 1093338168 /nfs/dbraw/zinc/33/81/68/1093338168.db2.gz KNYLMPBSNUPADO-UHFFFAOYSA-N 0 3 316.430 2.003 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC001490447873 1093363112 /nfs/dbraw/zinc/36/31/12/1093363112.db2.gz JKHVEOAPIAZVJL-MRXNPFEDSA-N 0 3 318.392 2.199 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C2=CCCCCC2)CC1 ZINC001490488143 1093389184 /nfs/dbraw/zinc/38/91/84/1093389184.db2.gz YDMFRSBQNRKMKB-UHFFFAOYSA-N 0 3 305.466 2.187 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC001490529402 1093398544 /nfs/dbraw/zinc/39/85/44/1093398544.db2.gz FIJGIWZBBKISMN-QGZVFWFLSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2scnc2COC)C1 ZINC001490565344 1093421664 /nfs/dbraw/zinc/42/16/64/1093421664.db2.gz JAYBEOPAPDKFLD-STQMWFEESA-N 0 3 323.462 2.448 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cn(CC)nn2)CC1 ZINC001490622209 1093450229 /nfs/dbraw/zinc/45/02/29/1093450229.db2.gz OSSKDHMKCVIYHD-UHFFFAOYSA-N 0 3 319.453 2.191 20 30 DEEDHN C#CCCCC(=O)NC/C=C/CNCc1ccc2c(c1)COC2 ZINC001273980673 1093705996 /nfs/dbraw/zinc/70/59/96/1093705996.db2.gz ACQDNKPZTYXDBF-AATRIKPKSA-N 0 3 312.413 2.282 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001274048712 1093783313 /nfs/dbraw/zinc/78/33/13/1093783313.db2.gz ORGJDPFBKDGZRT-BQYQJAHWSA-N 0 3 300.402 2.211 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc2cncn21 ZINC001274110386 1093802176 /nfs/dbraw/zinc/80/21/76/1093802176.db2.gz JBVPXOFLYDXQEN-LJQANCHMSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc2c1CCO2 ZINC001274115402 1093805952 /nfs/dbraw/zinc/80/59/52/1093805952.db2.gz BDMGAEMHHPTNHK-FQEVSTJZSA-N 0 3 324.424 2.212 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)[C@@H]1CCC=CCCC1 ZINC001274120165 1093807140 /nfs/dbraw/zinc/80/71/40/1093807140.db2.gz VVOHUDIJLKGMIN-CINRCNNDSA-N 0 3 304.434 2.035 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1sncc1C)CC2 ZINC001274140527 1093817618 /nfs/dbraw/zinc/81/76/18/1093817618.db2.gz CIQTWXWQAFMIOT-UHFFFAOYSA-N 0 3 317.458 2.289 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001278025895 1138455181 /nfs/dbraw/zinc/45/51/81/1138455181.db2.gz SLFQQBVFVKAJIQ-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)COc1cc(C)ccc1C ZINC001280883871 1138488094 /nfs/dbraw/zinc/48/80/94/1138488094.db2.gz PYLLWWQERIKAGA-UHFFFAOYSA-N 0 3 302.418 2.096 20 30 DEEDHN CC(=O)Nc1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001237406266 1138614651 /nfs/dbraw/zinc/61/46/51/1138614651.db2.gz MBFKFVFICDUBDY-OAHLLOKOSA-N 0 3 302.399 2.419 20 30 DEEDHN CN1c2ccccc2[C@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001237466631 1138643379 /nfs/dbraw/zinc/64/33/79/1138643379.db2.gz VKCXZZYEIHSIFO-LJQANCHMSA-N 0 3 318.380 2.073 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CC=CCC1)C1CCN(CCOCC)CC1 ZINC001278115052 1138685469 /nfs/dbraw/zinc/68/54/69/1138685469.db2.gz GJBUPWMYJQXDCS-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cncn1CC)CC2 ZINC001237587452 1138696045 /nfs/dbraw/zinc/69/60/45/1138696045.db2.gz BLKUBIZTARFPHR-SFHVURJKSA-N 0 3 316.449 2.436 20 30 DEEDHN C#CCN(C(=O)c1cccc(OC)c1)C1CCN(CC=C)CC1 ZINC001278200467 1138833557 /nfs/dbraw/zinc/83/35/57/1138833557.db2.gz JZIHKIXECDWBKW-UHFFFAOYSA-N 0 3 312.413 2.421 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001296715250 1139818746 /nfs/dbraw/zinc/81/87/46/1139818746.db2.gz GQASPIFOXVSIAG-WMLDXEAASA-N 0 3 318.417 2.303 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1(OC)CCC1)C2 ZINC001278334135 1139843424 /nfs/dbraw/zinc/84/34/24/1139843424.db2.gz BIUNVVIKXFYATR-SFHVURJKSA-N 0 3 318.461 2.283 20 30 DEEDHN CCN1CCN(c2ccc(-c3cc(C)nc(C#N)n3)cc2)CC1 ZINC001241740487 1139847609 /nfs/dbraw/zinc/84/76/09/1139847609.db2.gz MKIFPERWUMCESR-UHFFFAOYSA-N 0 3 307.401 2.466 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001297325277 1139860422 /nfs/dbraw/zinc/86/04/22/1139860422.db2.gz GUPRHEGVBIIZCY-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001297926776 1139899334 /nfs/dbraw/zinc/89/93/34/1139899334.db2.gz ZPXBGOHMCBCUIP-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](CC)CCC)CC2)C1 ZINC001278350478 1140010531 /nfs/dbraw/zinc/01/05/31/1140010531.db2.gz XIQXWGXOUDGOSE-IRXDYDNUSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001329623304 1148943271 /nfs/dbraw/zinc/94/32/71/1148943271.db2.gz JSEXZGLAMRVIFT-RDHHWEPZSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2nc(C(C)C)oc2C)C1 ZINC001278370582 1140241435 /nfs/dbraw/zinc/24/14/35/1140241435.db2.gz JYWJLGFGGHRTAO-GXTWGEPZSA-N 0 3 303.406 2.322 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(OC)cc2Cl)C1 ZINC001491759340 1140300046 /nfs/dbraw/zinc/30/00/46/1140300046.db2.gz ZQGWOFBMNHKAES-LBPRGKRZSA-N 0 3 306.793 2.176 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001318413252 1140321506 /nfs/dbraw/zinc/32/15/06/1140321506.db2.gz MXKBWYWXTMRDGF-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001318486341 1140347425 /nfs/dbraw/zinc/34/74/25/1140347425.db2.gz XPZVWTKJQCETOC-QGZVFWFLSA-N 0 3 324.428 2.052 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001318845837 1140434717 /nfs/dbraw/zinc/43/47/17/1140434717.db2.gz ONOIUYNJCZRNOC-ZBFHGGJFSA-N 0 3 314.857 2.384 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cncc(OC(C)C)c2)C1 ZINC001278389764 1140472137 /nfs/dbraw/zinc/47/21/37/1140472137.db2.gz AXRLKFQOROKNBD-ZBFHGGJFSA-N 0 3 315.417 2.085 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)CN[C@H](C)c1cnccn1 ZINC001319229303 1140529601 /nfs/dbraw/zinc/52/96/01/1140529601.db2.gz NIYCNCYLKWQAJQ-HUUCEWRRSA-N 0 3 302.422 2.073 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(COC)CCCC1)CC2 ZINC001319403042 1140564501 /nfs/dbraw/zinc/56/45/01/1140564501.db2.gz PDXYIHWQXSGGNI-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)c1ccncc1 ZINC001319419200 1140568188 /nfs/dbraw/zinc/56/81/88/1140568188.db2.gz ZLJKKNXUKCCURY-INIZCTEOSA-N 0 3 307.397 2.183 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(F)c(OC)c2)C1 ZINC001278403253 1140593590 /nfs/dbraw/zinc/59/35/90/1140593590.db2.gz HIBXAQXYNNHMBM-JSGCOSHPSA-N 0 3 304.365 2.050 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001278411300 1140776141 /nfs/dbraw/zinc/77/61/41/1140776141.db2.gz TWGYQVBTYAIPLW-KRWDZBQOSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)C[C@H](O)CC(F)(F)F ZINC001320007269 1140812093 /nfs/dbraw/zinc/81/20/93/1140812093.db2.gz LSDCLQIRDSMSFI-GFCCVEGCSA-N 0 3 324.387 2.292 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN(C)CCOCC(F)(F)F)C1 ZINC001320043245 1140815879 /nfs/dbraw/zinc/81/58/79/1140815879.db2.gz VOPZPWMQPGARAJ-UHFFFAOYSA-N 0 3 322.371 2.312 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1c[nH]nc1C1CCCCC1 ZINC001320068480 1140817978 /nfs/dbraw/zinc/81/79/78/1140817978.db2.gz IZUGBPMAYXILGT-UHFFFAOYSA-N 0 3 316.449 2.485 20 30 DEEDHN C=CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001320115636 1140823847 /nfs/dbraw/zinc/82/38/47/1140823847.db2.gz BZLVXIXKSZDCTH-HOCLYGCPSA-N 0 3 318.417 2.083 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccnn1C1CCC1 ZINC001320415449 1140862979 /nfs/dbraw/zinc/86/29/79/1140862979.db2.gz QYQHAONYQWEKSF-LBPRGKRZSA-N 0 3 310.829 2.459 20 30 DEEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)C#CC1CC1 ZINC001320420817 1140863282 /nfs/dbraw/zinc/86/32/82/1140863282.db2.gz BQQSZPRVHHUMIN-ZDUSSCGKSA-N 0 3 313.376 2.095 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCOc2ccc(OC)cc2)C1 ZINC001278444042 1140889967 /nfs/dbraw/zinc/88/99/67/1140889967.db2.gz NMUCGMHWTXAUAC-GOSISDBHSA-N 0 3 318.417 2.231 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNCc1cccc(F)c1 ZINC001320845593 1140951541 /nfs/dbraw/zinc/95/15/41/1140951541.db2.gz FTCPDWWZSXOJAS-SJORKVTESA-N 0 3 320.408 2.355 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C2CCC2)cc1F ZINC001320940212 1141000543 /nfs/dbraw/zinc/00/05/43/1141000543.db2.gz MFHNIEMDDJVIIG-UPHRSURJSA-N 0 3 301.365 2.259 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2ccccn2)cc1 ZINC001320942069 1141001359 /nfs/dbraw/zinc/00/13/59/1141001359.db2.gz IKJNNYNDOFMKEA-ARJAWSKDSA-N 0 3 306.369 2.029 20 30 DEEDHN CO[C@H](CNC/C=C\CNC(=O)C#CC(C)C)c1ccccc1 ZINC001321054359 1141041630 /nfs/dbraw/zinc/04/16/30/1141041630.db2.gz LNEJTMWDOXVUPX-JTHGQSKGSA-N 0 3 314.429 2.296 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001321375397 1141213162 /nfs/dbraw/zinc/21/31/62/1141213162.db2.gz CHSYGWZWBJCNBC-DSYXLKISSA-N 0 3 302.443 2.382 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001321375399 1141214236 /nfs/dbraw/zinc/21/42/36/1141214236.db2.gz CHSYGWZWBJCNBC-MUBLQREKSA-N 0 3 302.443 2.382 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001321420573 1141243623 /nfs/dbraw/zinc/24/36/23/1141243623.db2.gz UDDNIFNIZJJKKR-SNAWJCMRSA-N 0 3 300.324 2.004 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001321608499 1141315484 /nfs/dbraw/zinc/31/54/84/1141315484.db2.gz AZFNUETXESVMPX-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN CCCSCC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001321800900 1141346151 /nfs/dbraw/zinc/34/61/51/1141346151.db2.gz SFQQMYYTGBTJFR-HNNXBMFYSA-N 0 3 304.459 2.276 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001322159190 1141424427 /nfs/dbraw/zinc/42/44/27/1141424427.db2.gz YWGHZJIQSIYOMZ-LSDHHAIUSA-N 0 3 320.408 2.131 20 30 DEEDHN CC(C)(C)c1ccc(-c2noc([C@@H]3CNCCN3)n2)c(C#N)c1 ZINC001247717725 1141460991 /nfs/dbraw/zinc/46/09/91/1141460991.db2.gz UDUBTROMTQFMMH-AWEZNQCLSA-N 0 3 311.389 2.140 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCn1nc(C)cc1C ZINC001322217153 1141469780 /nfs/dbraw/zinc/46/97/80/1141469780.db2.gz BWKCQSHTLULYSJ-AWEZNQCLSA-N 0 3 306.454 2.149 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)C#CC2CC2)C2CC2)s1 ZINC001322991886 1141794006 /nfs/dbraw/zinc/79/40/06/1141794006.db2.gz PNGRKAWHBJNEFF-INIZCTEOSA-N 0 3 313.426 2.018 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001323259141 1141833517 /nfs/dbraw/zinc/83/35/17/1141833517.db2.gz QXHOWPYBQXGFCP-CHWSQXEVSA-N 0 3 302.422 2.057 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001323293736 1141838491 /nfs/dbraw/zinc/83/84/91/1141838491.db2.gz OBJNFDCZUZFRNO-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001323312404 1141840930 /nfs/dbraw/zinc/84/09/30/1141840930.db2.gz YWABVWNBRVLIBL-GDBMZVCRSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)COc1ccc(F)c(F)c1 ZINC001323372378 1141847333 /nfs/dbraw/zinc/84/73/33/1141847333.db2.gz VNMOCRBVUMUBMW-LBPRGKRZSA-N 0 3 310.344 2.110 20 30 DEEDHN N#Cc1ccn2ncc(CN3CCC4(C[C@@H]4CCO)CC3)c2c1 ZINC001249086499 1141848740 /nfs/dbraw/zinc/84/87/40/1141848740.db2.gz FZKBFWZUEAENPA-INIZCTEOSA-N 0 3 310.401 2.190 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2ccc(Cl)s2)CC1 ZINC001323406490 1141850819 /nfs/dbraw/zinc/85/08/19/1141850819.db2.gz PTRLAXWBPFJSGR-UHFFFAOYSA-N 0 3 314.838 2.343 20 30 DEEDHN N#Cc1cccc(-c2noc([C@H](O)[C@@H](N)c3ccccc3)n2)c1 ZINC001249179616 1141857184 /nfs/dbraw/zinc/85/71/84/1141857184.db2.gz NDUVOMNRJVDSQK-LSDHHAIUSA-N 0 3 306.325 2.342 20 30 DEEDHN C=CCC1(C(=O)NCC2(NC[C@@H](F)CC)CC2)CCOCC1 ZINC001323603187 1141868828 /nfs/dbraw/zinc/86/88/28/1141868828.db2.gz URBBOEZUWYJYAI-AWEZNQCLSA-N 0 3 312.429 2.346 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001323616588 1141869966 /nfs/dbraw/zinc/86/99/66/1141869966.db2.gz MSBHSTOIYILNTD-KRWDZBQOSA-N 0 3 304.434 2.011 20 30 DEEDHN COc1ccccc1[C@H](N)Cc1nc(-c2ccc(C#N)cn2)no1 ZINC001249341239 1141876910 /nfs/dbraw/zinc/87/69/10/1141876910.db2.gz PBCJMTAOWOTKKK-CYBMUJFWSA-N 0 3 321.340 2.254 20 30 DEEDHN COC[C@]12COC[C@H]1CN(Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001249428392 1141888882 /nfs/dbraw/zinc/88/88/82/1141888882.db2.gz NDLNMZCWJYXNDH-CRAIPNDOSA-N 0 3 311.385 2.134 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001324342748 1142059283 /nfs/dbraw/zinc/05/92/83/1142059283.db2.gz LODMDLJSLACILY-CYBMUJFWSA-N 0 3 318.465 2.362 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCC[C@@H]1CC)C1CCN(CCOC)CC1 ZINC001324420215 1142075088 /nfs/dbraw/zinc/07/50/88/1142075088.db2.gz NWDZFKBODVTXRD-WMZOPIPTSA-N 0 3 320.477 2.385 20 30 DEEDHN CCC[C@@H](C)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001278598117 1142311399 /nfs/dbraw/zinc/31/13/99/1142311399.db2.gz JUINVIXVRXKESN-MRXNPFEDSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C#N)cc2F)CC1 ZINC001336342057 1142417819 /nfs/dbraw/zinc/41/78/19/1142417819.db2.gz RIEUMRWZMAFZRO-UHFFFAOYSA-N 0 3 301.365 2.468 20 30 DEEDHN CCCCCCCC[C@@H](O)CN[C@@H]1COCCC12OCCO2 ZINC001252133962 1142650080 /nfs/dbraw/zinc/65/00/80/1142650080.db2.gz MOFBZANXHKEEFG-HZPDHXFCSA-N 0 3 315.454 2.220 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1cc(F)ccc1OC(F)(F)F ZINC001252450449 1142716955 /nfs/dbraw/zinc/71/69/55/1142716955.db2.gz BLRWHJFRHDHLMY-LBPRGKRZSA-N 0 3 323.286 2.377 20 30 DEEDHN C=CCOC[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC001252497268 1142734627 /nfs/dbraw/zinc/73/46/27/1142734627.db2.gz NGLJUCUUGCXMTP-CYBMUJFWSA-N 0 3 314.307 2.230 20 30 DEEDHN C=C[C@@](C)(O)CN[C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001252586345 1142771352 /nfs/dbraw/zinc/77/13/52/1142771352.db2.gz ZFCLEDKWMBHEEM-IEBWSBKVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC[C@H](O)CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001252597455 1142778382 /nfs/dbraw/zinc/77/83/82/1142778382.db2.gz ZLEXYUSMNGFPFV-AEFFLSMTSA-N 0 3 319.449 2.069 20 30 DEEDHN CCC[C@](C)(C#N)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252952549 1142833206 /nfs/dbraw/zinc/83/32/06/1142833206.db2.gz GIQYCZKPBIGAAK-QZTJIDSGSA-N 0 3 301.434 2.295 20 30 DEEDHN C[C@@](O)(CN1CCC[C@@H](C#N)CC1)C(=O)OCc1ccccc1 ZINC001253637060 1142886553 /nfs/dbraw/zinc/88/65/53/1142886553.db2.gz XUQNUCNDCYLFNB-CRAIPNDOSA-N 0 3 316.401 2.106 20 30 DEEDHN C[C@](O)(CN1CCC[C@H](C#N)CC1)C(=O)OCc1ccccc1 ZINC001253637063 1142887277 /nfs/dbraw/zinc/88/72/77/1142887277.db2.gz XUQNUCNDCYLFNB-YJBOKZPZSA-N 0 3 316.401 2.106 20 30 DEEDHN COc1cccc(OC[C@H](O)CN2CCC[C@H](C#N)CC2)c1 ZINC001253954503 1143010285 /nfs/dbraw/zinc/01/02/85/1143010285.db2.gz CETMCWWIRVVKSX-LSDHHAIUSA-N 0 3 304.390 2.061 20 30 DEEDHN COc1cccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC001253955998 1143011044 /nfs/dbraw/zinc/01/10/44/1143011044.db2.gz MXJXDWKEDRRQDH-HUUCEWRRSA-N 0 3 304.390 2.061 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001340156125 1143281007 /nfs/dbraw/zinc/28/10/07/1143281007.db2.gz XNWVEYCZADJIIN-AWEZNQCLSA-N 0 3 321.469 2.261 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc2c1OCCCO2 ZINC001340324137 1143324784 /nfs/dbraw/zinc/32/47/84/1143324784.db2.gz UGGZHTDYBKNWLC-AWEZNQCLSA-N 0 3 304.390 2.148 20 30 DEEDHN CC[C@@H](CC#N)N[C@@H]1[C@@H]2COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255152193 1143449257 /nfs/dbraw/zinc/44/92/57/1143449257.db2.gz NOFPUFNRIUSECF-LJISPDSOSA-N 0 3 323.437 2.150 20 30 DEEDHN CC[C@H](CC#N)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001255169592 1143465289 /nfs/dbraw/zinc/46/52/89/1143465289.db2.gz HQUFYCBVFWANIM-SQNIBIBYSA-N 0 3 314.433 2.049 20 30 DEEDHN CC[C@H](CC#N)N1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255169527 1143466031 /nfs/dbraw/zinc/46/60/31/1143466031.db2.gz GHYMOLRTCLUZQK-AEFFLSMTSA-N 0 3 312.417 2.198 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](Cc2nccs2)C1 ZINC001340994651 1143518893 /nfs/dbraw/zinc/51/88/93/1143518893.db2.gz JRXCIXYKOUYXRJ-ZIAGYGMSSA-N 0 3 320.462 2.335 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001341316821 1143583071 /nfs/dbraw/zinc/58/30/71/1143583071.db2.gz DWLGRSBTRSVGHW-JSGCOSHPSA-N 0 3 305.378 2.498 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001341471538 1143609099 /nfs/dbraw/zinc/60/90/99/1143609099.db2.gz FJTDSIVRQNLJEJ-SJORKVTESA-N 0 3 313.401 2.142 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([S@@](C)(=O)=NC)c1 ZINC001341606395 1143637159 /nfs/dbraw/zinc/63/71/59/1143637159.db2.gz BRWLMUFQSAHVPH-SPLOXXLWSA-N 0 3 309.435 2.395 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC001278873552 1143770247 /nfs/dbraw/zinc/77/02/47/1143770247.db2.gz KCFXIIRDOWBONH-KRWDZBQOSA-N 0 3 316.445 2.294 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2OCc3ccccc32)CC1 ZINC001342113086 1143791457 /nfs/dbraw/zinc/79/14/57/1143791457.db2.gz ZKKSWYPRKIVJQY-KRWDZBQOSA-N 0 3 315.417 2.208 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001342254723 1143807041 /nfs/dbraw/zinc/80/70/41/1143807041.db2.gz ZAVLBPXECGLZNV-SOUVJXGZSA-N 0 3 303.454 2.366 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC001342301549 1143810311 /nfs/dbraw/zinc/81/03/11/1143810311.db2.gz OBJPVRHTEVVELI-HOTGVXAUSA-N 0 3 306.381 2.489 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001342466497 1143819301 /nfs/dbraw/zinc/81/93/01/1143819301.db2.gz BOVKIVPIJLJNTA-HRCADAONSA-N 0 3 323.481 2.191 20 30 DEEDHN CC(C)N(CCN(C)C[C@H]1CCCCO1)C(=O)C#CC1CC1 ZINC001278904807 1143821776 /nfs/dbraw/zinc/82/17/76/1143821776.db2.gz VAWPIALUAGSCFN-QGZVFWFLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1c(C)[nH]nc1Cl)C(C)C ZINC001278907527 1143825463 /nfs/dbraw/zinc/82/54/63/1143825463.db2.gz DYSJKYSGPTZZAK-UHFFFAOYSA-N 0 3 310.829 2.177 20 30 DEEDHN C=C[C@@H](COC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC001342762403 1143835514 /nfs/dbraw/zinc/83/55/14/1143835514.db2.gz JSRVQKMFNIXOKG-LBPRGKRZSA-N 0 3 302.374 2.425 20 30 DEEDHN N#CC1CCC(N2CCN(Cc3ccccc3)[C@@H](CO)C2)CC1 ZINC001256964827 1143877021 /nfs/dbraw/zinc/87/70/21/1143877021.db2.gz DNFKOGAFPMNBIB-NKELODKYSA-N 0 3 313.445 2.247 20 30 DEEDHN COCCCN(C(=O)c1csc(C#N)c1)C1CCN(C)CC1 ZINC001261264733 1144229213 /nfs/dbraw/zinc/22/92/13/1144229213.db2.gz CCQVVMQZFZUUQD-UHFFFAOYSA-N 0 3 321.446 2.193 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC001262231016 1144300269 /nfs/dbraw/zinc/30/02/69/1144300269.db2.gz RUDIIZWPSMVNMB-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)ccc1N(C)C ZINC001263346395 1144371025 /nfs/dbraw/zinc/37/10/25/1144371025.db2.gz NMOFMYMCTDUWSD-DOMZBBRYSA-N 0 3 320.412 2.480 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccncn1 ZINC001263814711 1144398766 /nfs/dbraw/zinc/39/87/66/1144398766.db2.gz KJFKVTFUQLAQCZ-HNNXBMFYSA-N 0 3 302.422 2.369 20 30 DEEDHN CC(C)C#CC(=O)N1CCc2sc(CNCC3CC3)nc2C1 ZINC001264189678 1144502811 /nfs/dbraw/zinc/50/28/11/1144502811.db2.gz GHRBDRVKURZPET-UHFFFAOYSA-N 0 3 317.458 2.187 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CNCc2nccs2)[C@H](OCC)C1 ZINC001264524415 1144559960 /nfs/dbraw/zinc/55/99/60/1144559960.db2.gz WGUDWWGIYSVTSX-ZIAGYGMSSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCOCC(=O)N1CCCCC[C@@H](NCc2ccccn2)C1 ZINC001264672933 1144589668 /nfs/dbraw/zinc/58/96/68/1144589668.db2.gz KCRDGRVETFSHBW-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1csc(-c2ccco2)n1 ZINC001491568150 1144617885 /nfs/dbraw/zinc/61/78/85/1144617885.db2.gz YEGMQSHIJZYJJL-NSHDSACASA-N 0 3 303.387 2.134 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnc(-c2ccco2)s1 ZINC001265061557 1144634929 /nfs/dbraw/zinc/63/49/29/1144634929.db2.gz VMMBMEHGINGASB-UHFFFAOYSA-N 0 3 317.414 2.478 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1nsc2ccccc21 ZINC001265071152 1144637648 /nfs/dbraw/zinc/63/76/48/1144637648.db2.gz BKJFHZFZPSHLHP-UHFFFAOYSA-N 0 3 315.442 2.300 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cnn(C)c1 ZINC001265080299 1144639096 /nfs/dbraw/zinc/63/90/96/1144639096.db2.gz PWAYWQQGIPOPEP-GDBMZVCRSA-N 0 3 304.438 2.246 20 30 DEEDHN Cc1cncc(CN(CCCNC(=O)C#CC2CC2)C2CC2)c1 ZINC001265161370 1144658341 /nfs/dbraw/zinc/65/83/41/1144658341.db2.gz LDFDKOCOXXZEBN-UHFFFAOYSA-N 0 3 311.429 2.274 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC001265200178 1144665380 /nfs/dbraw/zinc/66/53/80/1144665380.db2.gz LNRUXFMPEHROPO-UHFFFAOYSA-N 0 3 315.417 2.042 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001265244674 1144675735 /nfs/dbraw/zinc/67/57/35/1144675735.db2.gz LLPZGAGOVIVRBT-KURKYZTESA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001265251515 1144676328 /nfs/dbraw/zinc/67/63/28/1144676328.db2.gz IYWKKICFWNNBKZ-DLBZAZTESA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001265319348 1144692273 /nfs/dbraw/zinc/69/22/73/1144692273.db2.gz LQKVLLNNIIRUDL-YPMHNXCESA-N 0 3 321.446 2.006 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001265321501 1144693411 /nfs/dbraw/zinc/69/34/11/1144693411.db2.gz LKBWHDXFYFJMGI-OAHLLOKOSA-N 0 3 321.469 2.381 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001265427869 1144703707 /nfs/dbraw/zinc/70/37/07/1144703707.db2.gz XRENUMJXHKJPAH-INIZCTEOSA-N 0 3 313.376 2.191 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CC)Oc2cccc(C)c2)C1 ZINC001265449144 1144704754 /nfs/dbraw/zinc/70/47/54/1144704754.db2.gz AVPJKTCTOAGFPI-WMZOPIPTSA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCc2cccc(F)c2F)C1 ZINC001265596696 1144716533 /nfs/dbraw/zinc/71/65/33/1144716533.db2.gz ITAMNNBBLFSQLK-AWEZNQCLSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)COC1CCCCC1 ZINC001265646464 1144722167 /nfs/dbraw/zinc/72/21/67/1144722167.db2.gz BBZYRHLDLSCTDA-INIZCTEOSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001265673663 1144725801 /nfs/dbraw/zinc/72/58/01/1144725801.db2.gz JTYKWDNQVMIHAF-KGLIPLIRSA-N 0 3 318.421 2.121 20 30 DEEDHN C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001265679877 1144726777 /nfs/dbraw/zinc/72/67/77/1144726777.db2.gz IVXVTKMVBSQPEO-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1cc(Cl)ccc1C ZINC001265841927 1144746670 /nfs/dbraw/zinc/74/66/70/1144746670.db2.gz ZNDVTUBOXHXGFF-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@@H]1CCC=CCCC1 ZINC001265871964 1144749745 /nfs/dbraw/zinc/74/97/45/1144749745.db2.gz KDBJCKFWGMVPMM-QGZVFWFLSA-N 0 3 306.450 2.211 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@H](NC/C=C\Cl)C2)cc1 ZINC001265934845 1144763006 /nfs/dbraw/zinc/76/30/06/1144763006.db2.gz WUPHBKCHBCPGNK-YHTRPRNISA-N 0 3 318.804 2.255 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cnnn1C ZINC001265998272 1144780820 /nfs/dbraw/zinc/78/08/20/1144780820.db2.gz RORJVUJOIVXVKM-HOCLYGCPSA-N 0 3 319.453 2.031 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)NCCC ZINC001265999108 1144781467 /nfs/dbraw/zinc/78/14/67/1144781467.db2.gz WUWDUJAWOJDSAW-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)NCCF)cn1 ZINC001266010588 1144785075 /nfs/dbraw/zinc/78/50/75/1144785075.db2.gz KXYZTAAMUZXNFZ-CJNGLKHVSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001266102297 1144805766 /nfs/dbraw/zinc/80/57/66/1144805766.db2.gz HKMJUBBUTWORFD-DLBZAZTESA-N 0 3 316.449 2.026 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(C2CC2)nc1C)C1CC1 ZINC001266159209 1144810563 /nfs/dbraw/zinc/81/05/63/1144810563.db2.gz IQZWRTRZGFEOEK-UHFFFAOYSA-N 0 3 311.429 2.485 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)NCc2cc(C)no2)cc1 ZINC001266167238 1144811243 /nfs/dbraw/zinc/81/12/43/1144811243.db2.gz QQDWSLXWCSXRPQ-CYBMUJFWSA-N 0 3 311.385 2.263 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1)C1CC1 ZINC001266169314 1144811361 /nfs/dbraw/zinc/81/13/61/1144811361.db2.gz XGSCNVYJLYQVQE-NVXWUHKLSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnn(C(C)C)c1)C1CC1 ZINC001266169382 1144811417 /nfs/dbraw/zinc/81/14/17/1144811417.db2.gz ZTZIYVHTFSVFSK-UHFFFAOYSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cn2nc(C)c(Cl)c2C)CC1 ZINC001279687578 1144827253 /nfs/dbraw/zinc/82/72/53/1144827253.db2.gz NRSSNOITOGYQDO-UHFFFAOYSA-N 0 3 322.840 2.088 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CCNCc2cnc(C)o2)C1 ZINC001280019387 1144831117 /nfs/dbraw/zinc/83/11/17/1144831117.db2.gz GANXSMXRDWHAJE-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1n[nH]cc1F ZINC001280332961 1144836039 /nfs/dbraw/zinc/83/60/39/1144836039.db2.gz DEFHQSHKRHGWIP-UHFFFAOYSA-N 0 3 302.353 2.097 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)OCc2cccc(C)c2)CCC1 ZINC001280495726 1144842665 /nfs/dbraw/zinc/84/26/65/1144842665.db2.gz YVLIJFAUBDFRFE-INIZCTEOSA-N 0 3 314.429 2.162 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@@H]1C ZINC001281129873 1144872936 /nfs/dbraw/zinc/87/29/36/1144872936.db2.gz AHDZZZLQBDTABD-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@@H]1C ZINC001281129868 1144873024 /nfs/dbraw/zinc/87/30/24/1144873024.db2.gz AHDZZZLQBDTABD-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H](OCC)C2CC2)C(C)(C)C1 ZINC001281557179 1144897012 /nfs/dbraw/zinc/89/70/12/1144897012.db2.gz NUPIMJCOEKMWBK-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)/C=C(\C)CC)CCO2 ZINC001281776754 1144913694 /nfs/dbraw/zinc/91/36/94/1144913694.db2.gz DTIDOJJMLOSFIH-JQIJEIRASA-N 0 3 304.434 2.059 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001281963994 1144924300 /nfs/dbraw/zinc/92/43/00/1144924300.db2.gz AUJXJSMZOFIMFM-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001282505266 1145081109 /nfs/dbraw/zinc/08/11/09/1145081109.db2.gz XCBFJYXGBBHJOI-NSHDSACASA-N 0 3 307.369 2.020 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCOc2ccc(F)cc2)C1 ZINC001282734687 1145150596 /nfs/dbraw/zinc/15/05/96/1145150596.db2.gz GNVQGCOMGJSQSW-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001282834916 1145174563 /nfs/dbraw/zinc/17/45/63/1145174563.db2.gz WTQBDVILYZLQFD-IRXDYDNUSA-N 0 3 315.461 2.302 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC001364375635 1145203525 /nfs/dbraw/zinc/20/35/25/1145203525.db2.gz MLTPSZZBKWKVOT-QZTJIDSGSA-N 0 3 300.402 2.340 20 30 DEEDHN CCC[C@H]1CN(c2cc(C)c(C#N)cn2)CCN1CCOC ZINC001364557496 1145340886 /nfs/dbraw/zinc/34/08/86/1145340886.db2.gz HCCFTNZSMYTAMW-INIZCTEOSA-N 0 3 302.422 2.199 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)Cc2nccnc2C)CC1 ZINC001283296400 1145349450 /nfs/dbraw/zinc/34/94/50/1145349450.db2.gz IQRYFSGNCPDFNH-UHFFFAOYSA-N 0 3 302.422 2.174 20 30 DEEDHN CC(C)=CC(=O)NCCOCCN(C)Cc1cccc(C#N)c1 ZINC001283359689 1145376461 /nfs/dbraw/zinc/37/64/61/1145376461.db2.gz SOTHTIRVARAHKA-UHFFFAOYSA-N 0 3 315.417 2.089 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ncc(OC)cc1F)C(C)C ZINC001332710816 1145416190 /nfs/dbraw/zinc/41/61/90/1145416190.db2.gz LNWRXGVBDCOCRS-UHFFFAOYSA-N 0 3 309.385 2.198 20 30 DEEDHN CC(C)OCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001283573706 1145529648 /nfs/dbraw/zinc/52/96/48/1145529648.db2.gz YIIWZZOGMRLYTB-QGZVFWFLSA-N 0 3 316.445 2.290 20 30 DEEDHN Cc1nsc(C)c1CN[C@H](C)CN(C)C(=O)C#CC(C)C ZINC001283607606 1145541979 /nfs/dbraw/zinc/54/19/79/1145541979.db2.gz GTINKGHIJFOHFI-GFCCVEGCSA-N 0 3 307.463 2.356 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(F)c2ccncc12 ZINC001283665269 1145569134 /nfs/dbraw/zinc/56/91/34/1145569134.db2.gz JJLVHEVMUYBELV-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](CO)N[C@H](C)c1ccccc1C ZINC001283793270 1145649047 /nfs/dbraw/zinc/64/90/47/1145649047.db2.gz TWOMFCKBJJMTRL-SJORKVTESA-N 0 3 316.445 2.316 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1C[C@H](C)N(C(=O)C#CC(C)C)C1 ZINC001283983867 1145737247 /nfs/dbraw/zinc/73/72/47/1145737247.db2.gz WVWQUPBXFFFUEG-WFASDCNBSA-N 0 3 319.474 2.498 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2scnc2C)C[C@@H]1C ZINC001284030738 1145760105 /nfs/dbraw/zinc/76/01/05/1145760105.db2.gz IAFBRDZJAGBGDY-JSGCOSHPSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)CCC(F)(F)F)CCC[C@@H]12 ZINC001284045688 1145770401 /nfs/dbraw/zinc/77/04/01/1145770401.db2.gz PGANXXJKZPTQJN-OCCSQVGLSA-N 0 3 302.340 2.465 20 30 DEEDHN Cc1nc(C#N)cc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC001365246797 1145829570 /nfs/dbraw/zinc/82/95/70/1145829570.db2.gz CSRZWOIDKJEROF-OAHLLOKOSA-N 0 3 313.792 2.461 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC001284313863 1145835254 /nfs/dbraw/zinc/83/52/54/1145835254.db2.gz TYSDPWWEXXKQLE-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C[C@H]1Cc2n[nH]cc2CN(CCC(=O)Nc2ccccc2C#N)C1 ZINC001365344854 1145853182 /nfs/dbraw/zinc/85/31/82/1145853182.db2.gz OXLUMPWYFFMRAX-ZDUSSCGKSA-N 0 3 323.400 2.304 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cnn2c1C[C@@H](C)CC2)C(C)C ZINC001284557803 1145870865 /nfs/dbraw/zinc/87/08/65/1145870865.db2.gz HDBGQDGJBATWFF-HNNXBMFYSA-N 0 3 318.465 2.434 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)CN(C)CCC ZINC001284680027 1145889654 /nfs/dbraw/zinc/88/96/54/1145889654.db2.gz KSASGHRWKCPTLX-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)C2CCCC2)CC1 ZINC001284701654 1145892791 /nfs/dbraw/zinc/89/27/91/1145892791.db2.gz BZBBYAPRPDPOCT-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001284871529 1145949884 /nfs/dbraw/zinc/94/98/84/1145949884.db2.gz DKSOEVSQDAKEQQ-DAYGRLMNSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001285378888 1146124766 /nfs/dbraw/zinc/12/47/66/1146124766.db2.gz XKLURCADKQIZPZ-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CNCc2cnc(C)cn2)C1 ZINC001491806391 1146924979 /nfs/dbraw/zinc/92/49/79/1146924979.db2.gz QFLHDVSUTLJZAR-OAHLLOKOSA-N 0 3 316.449 2.325 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2nccn2C)C1 ZINC001491883501 1146952476 /nfs/dbraw/zinc/95/24/76/1146952476.db2.gz VOUBDJQAFIDRTR-KGLIPLIRSA-N 0 3 304.438 2.149 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(COC)CCCC2)C1 ZINC001491932098 1147004583 /nfs/dbraw/zinc/00/45/83/1147004583.db2.gz FXUMGTVRNSKWQU-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC001491965312 1147024100 /nfs/dbraw/zinc/02/41/00/1147024100.db2.gz JTOAQTDFVJEMSE-KRWDZBQOSA-N 0 3 301.434 2.214 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCc2nccs2)C1 ZINC001491966040 1147024119 /nfs/dbraw/zinc/02/41/19/1147024119.db2.gz XRUUFDNEXQJXQA-AWEZNQCLSA-N 0 3 305.447 2.022 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2cccnc2n1 ZINC001492027607 1147066274 /nfs/dbraw/zinc/06/62/74/1147066274.db2.gz YSNVIDCRGATNSR-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001366148640 1147079329 /nfs/dbraw/zinc/07/93/29/1147079329.db2.gz HPXDANOINOVPKG-MELADBBJSA-N 0 3 324.856 2.386 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)CCc1ccccc1Cl ZINC001492237741 1147176914 /nfs/dbraw/zinc/17/69/14/1147176914.db2.gz ZMMARLAOTLGYBJ-KRWDZBQOSA-N 0 3 324.852 2.258 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001492251374 1147186165 /nfs/dbraw/zinc/18/61/65/1147186165.db2.gz JWRRCTSKEQHWOO-OAHLLOKOSA-N 0 3 314.429 2.150 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CC12CCC2)NCc1ccc(C#N)c(F)c1 ZINC001366345641 1147226239 /nfs/dbraw/zinc/22/62/39/1147226239.db2.gz IXJXHFHTNYDEKD-WFASDCNBSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2nccnc2c1 ZINC001366502099 1147314172 /nfs/dbraw/zinc/31/41/72/1147314172.db2.gz VNLZCLRSGIXMGP-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cc(C)oc1C(F)(F)F ZINC001317462458 1147386263 /nfs/dbraw/zinc/38/62/63/1147386263.db2.gz CCRBMIALSSZXLU-UHFFFAOYSA-N 0 3 302.296 2.292 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(OC)c2)C1 ZINC001480737125 1147398168 /nfs/dbraw/zinc/39/81/68/1147398168.db2.gz VXEVKTOGIPTRQU-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN COCC#CCN(C[C@@H](O)COc1cccc(C)c1)C(C)C ZINC001307492000 1147427946 /nfs/dbraw/zinc/42/79/46/1147427946.db2.gz DMWOQVVKOHMACX-QGZVFWFLSA-N 0 3 305.418 2.095 20 30 DEEDHN C=CCCCN(CC)CC(=O)NCCN1CCc2ccccc21 ZINC001308134949 1147447220 /nfs/dbraw/zinc/44/72/20/1147447220.db2.gz UWDRBCPSHZTREJ-UHFFFAOYSA-N 0 3 315.461 2.453 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001493271488 1147472389 /nfs/dbraw/zinc/47/23/89/1147472389.db2.gz QYRHXLAXVFFZLZ-HNNXBMFYSA-N 0 3 320.408 2.357 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001316767661 1147575961 /nfs/dbraw/zinc/57/59/61/1147575961.db2.gz LEEXFTMYNBHFTE-GJZGRUSLSA-N 0 3 300.418 2.298 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2nccc(C)n2)CC1 ZINC001317003810 1147578406 /nfs/dbraw/zinc/57/84/06/1147578406.db2.gz ARSRTQMFJXVAPN-UHFFFAOYSA-N 0 3 314.433 2.125 20 30 DEEDHN CCCCC(=O)N[C@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001316807949 1147581550 /nfs/dbraw/zinc/58/15/50/1147581550.db2.gz MHPACUDOOBZCDK-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001316814838 1147583738 /nfs/dbraw/zinc/58/37/38/1147583738.db2.gz ZQYPCIIGELXPPA-CQSZACIVSA-N 0 3 305.447 2.254 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(F)(F)F)C(C)(C)[C@@H]21 ZINC001316718878 1147591270 /nfs/dbraw/zinc/59/12/70/1147591270.db2.gz IWAMCGAOTFSRMI-RAIGVLPGSA-N 0 3 302.340 2.177 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc2cccnn21 ZINC001316806143 1147604156 /nfs/dbraw/zinc/60/41/56/1147604156.db2.gz FIUSOYSCZJAMJZ-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C1CCC(C2CC2)CC1 ZINC001316864284 1147617229 /nfs/dbraw/zinc/61/72/29/1147617229.db2.gz FKANPTIAKGVFOM-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(Cl)CN(CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001316923331 1147632215 /nfs/dbraw/zinc/63/22/15/1147632215.db2.gz FNPMNDGLHWNLIR-ZDUSSCGKSA-N 0 3 313.873 2.051 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001316939940 1147635425 /nfs/dbraw/zinc/63/54/25/1147635425.db2.gz CFWMYNVFNJEVBB-KRWDZBQOSA-N 0 3 302.418 2.278 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001316949322 1147637709 /nfs/dbraw/zinc/63/77/09/1147637709.db2.gz POLPRYLEYNUBCH-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001316949322 1147637711 /nfs/dbraw/zinc/63/77/11/1147637711.db2.gz POLPRYLEYNUBCH-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001316996231 1147646141 /nfs/dbraw/zinc/64/61/41/1147646141.db2.gz WASQNMODODPXQA-RDJZCZTQSA-N 0 3 314.429 2.403 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001316995740 1147646191 /nfs/dbraw/zinc/64/61/91/1147646191.db2.gz DNYUUEVSLTYEMN-BPFGOOJPSA-N 0 3 312.841 2.037 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC12CCN(CCOCC(F)F)CC2 ZINC001317001082 1147647091 /nfs/dbraw/zinc/64/70/91/1147647091.db2.gz VACVZKGHLWMWDI-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN O=C(CCC(F)F)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317081802 1147657320 /nfs/dbraw/zinc/65/73/20/1147657320.db2.gz WKGBRLDOKICUBP-SHTZXODSSA-N 0 3 306.356 2.320 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)Cc1sc(C)nc1C ZINC001317171765 1147670436 /nfs/dbraw/zinc/67/04/36/1147670436.db2.gz BCCPAHKWEWKHMS-HNNXBMFYSA-N 0 3 319.474 2.296 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)COCCC ZINC001317197501 1147674654 /nfs/dbraw/zinc/67/46/54/1147674654.db2.gz BBKMWOXGSYBCKD-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cc(C)on2)CCCC1 ZINC001367313873 1147677030 /nfs/dbraw/zinc/67/70/30/1147677030.db2.gz APZMUSPGFKWLGL-UHFFFAOYSA-N 0 3 311.813 2.297 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001317299418 1147687569 /nfs/dbraw/zinc/68/75/69/1147687569.db2.gz DTWUGLXLGKIQED-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC001317309666 1147689063 /nfs/dbraw/zinc/68/90/63/1147689063.db2.gz WOSKBRIYTPJXQG-INIZCTEOSA-N 0 3 318.392 2.199 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC001317384060 1147700245 /nfs/dbraw/zinc/70/02/45/1147700245.db2.gz RTTAZNNBDFSXIX-LBPRGKRZSA-N 0 3 302.340 2.275 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](F)Cc1ccccc1 ZINC001317517032 1147718840 /nfs/dbraw/zinc/71/88/40/1147718840.db2.gz QPQJKCYFPPRNNP-IRXDYDNUSA-N 0 3 302.393 2.171 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001317521193 1147719557 /nfs/dbraw/zinc/71/95/57/1147719557.db2.gz VQASOZILJGHKGB-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)Oc2ccccc2F)C1 ZINC001317521766 1147719679 /nfs/dbraw/zinc/71/96/79/1147719679.db2.gz ZSBIFCLLVKFTFP-LSDHHAIUSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCN(CCNC(=O)c1[nH]nc(C)c1C(F)(F)F)C1CC1 ZINC001317557325 1147724795 /nfs/dbraw/zinc/72/47/95/1147724795.db2.gz VKGWAULQLGCQDN-UHFFFAOYSA-N 0 3 316.327 2.117 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCN(C)C(=O)C1CCCC1 ZINC001317560434 1147725379 /nfs/dbraw/zinc/72/53/79/1147725379.db2.gz ADQJSDBAOHNUBV-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN COC[C@@H](C)[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001317594881 1147730824 /nfs/dbraw/zinc/73/08/24/1147730824.db2.gz ZQCXYKDBJGKDCU-HUUCEWRRSA-N 0 3 317.433 2.025 20 30 DEEDHN COCC#CCNCCN(C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001317666902 1147741084 /nfs/dbraw/zinc/74/10/84/1147741084.db2.gz XMCPMLRJIXMSIM-CQSZACIVSA-N 0 3 322.836 2.141 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CC(N)=O)c1ccc(C(C)C)cc1 ZINC001317710759 1147746048 /nfs/dbraw/zinc/74/60/48/1147746048.db2.gz ATIWAGHQNSPVOH-INIZCTEOSA-N 0 3 317.433 2.008 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCCCO)c1ccccc1 ZINC001317721903 1147746958 /nfs/dbraw/zinc/74/69/58/1147746958.db2.gz KLBDCGAOVFKSBM-INIZCTEOSA-N 0 3 304.434 2.418 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001367877954 1147764615 /nfs/dbraw/zinc/76/46/15/1147764615.db2.gz JSQZVEMCEVIQBO-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@H]1CCOC1 ZINC001318195983 1147794592 /nfs/dbraw/zinc/79/45/92/1147794592.db2.gz LSFGZYWUSIRDLA-BZSNNMDCSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN([C@H](C)c2cccc(C)c2)C1 ZINC001318319938 1147810089 /nfs/dbraw/zinc/81/00/89/1147810089.db2.gz PGCOGBSMRIYXIK-NVXWUHKLSA-N 0 3 302.418 2.449 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001367975497 1147811882 /nfs/dbraw/zinc/81/18/82/1147811882.db2.gz DHJPFKQROHZHGR-RISCZKNCSA-N 0 3 301.365 2.092 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001318400114 1147821481 /nfs/dbraw/zinc/82/14/81/1147821481.db2.gz LSMWTBFSRGZGJU-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(OC)cs2)CC1 ZINC001324876400 1147855090 /nfs/dbraw/zinc/85/50/90/1147855090.db2.gz LEITXXJBRZSDRL-UHFFFAOYSA-N 0 3 306.431 2.222 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC1(F)F ZINC001325693065 1147984625 /nfs/dbraw/zinc/98/46/25/1147984625.db2.gz CWAPZNPPKYMGLD-HNNXBMFYSA-N 0 3 306.356 2.283 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)n2cccn2)cc1 ZINC001326492817 1148116080 /nfs/dbraw/zinc/11/60/80/1148116080.db2.gz LBTHCYASHXIPJH-HUUCEWRRSA-N 0 3 310.401 2.044 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)C(CC)CC ZINC001326686032 1148200238 /nfs/dbraw/zinc/20/02/38/1148200238.db2.gz LGOVLBBPJAMAPY-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNCC(=O)N(C)CC ZINC001326736164 1148224546 /nfs/dbraw/zinc/22/45/46/1148224546.db2.gz GZOJOIOZVSMMLJ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1cc(CNC[C@@H](NC(=O)[C@H](C)C#N)C2CCCC2)sn1 ZINC001368139585 1148268050 /nfs/dbraw/zinc/26/80/50/1148268050.db2.gz WHVJKCQFQPCCLA-IAQYHMDHSA-N 0 3 320.462 2.376 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(NCc2ccnn2C)CCC1 ZINC001326873432 1148278901 /nfs/dbraw/zinc/27/89/01/1148278901.db2.gz AIFVGVKWIRQNBU-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccc(F)c(C)c2)CCC1 ZINC001326878956 1148279378 /nfs/dbraw/zinc/27/93/78/1148279378.db2.gz ZRVXANBDEHLAGL-UHFFFAOYSA-N 0 3 318.392 2.026 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)CCC1 ZINC001326910521 1148288242 /nfs/dbraw/zinc/28/82/42/1148288242.db2.gz HLVVFXKGWBLYHS-PXNSSMCTSA-N 0 3 308.425 2.152 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@@H](CNCc2cccc(F)c2)C1 ZINC001327020953 1148311653 /nfs/dbraw/zinc/31/16/53/1148311653.db2.gz RSNMJPFJUXEYCF-KRWDZBQOSA-N 0 3 320.408 2.499 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000076526024 185019057 /nfs/dbraw/zinc/01/90/57/185019057.db2.gz HIPVPPVKPJRIMX-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000278500122 214193790 /nfs/dbraw/zinc/19/37/90/214193790.db2.gz AGBSBMSIWHSCSB-SJLPKXTDSA-N 0 3 304.434 2.295 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](CO)C1)C(C)C ZINC000079440465 185171849 /nfs/dbraw/zinc/17/18/49/185171849.db2.gz SGOHFMZEYJCPNO-IAGOWNOFSA-N 0 3 323.481 2.099 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NCc2cc(C#N)cs2)cnn1C ZINC000328631618 231266808 /nfs/dbraw/zinc/26/68/08/231266808.db2.gz RCPWSGGIZWIYDH-LSDHHAIUSA-N 0 3 302.403 2.282 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCCc2ccc(C#N)cc2)C1 ZINC000595453109 358452336 /nfs/dbraw/zinc/45/23/36/358452336.db2.gz FBQMRZVAKNEHSX-HNNXBMFYSA-N 0 3 314.433 2.132 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1Cc1ccccc1 ZINC000181342000 199283426 /nfs/dbraw/zinc/28/34/26/199283426.db2.gz BYOUREXKWIGWQE-SUMWQHHRSA-N 0 3 308.385 2.279 20 30 DEEDHN N#Cc1ccc(CN2CCN(CC3CCOCC3)CC2)s1 ZINC000179627383 282230436 /nfs/dbraw/zinc/23/04/36/282230436.db2.gz KBDRTLCWKUCMCC-UHFFFAOYSA-N 0 3 305.447 2.164 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc([S@@](C)=O)c2)nc(C)n1 ZINC000613760337 362201642 /nfs/dbraw/zinc/20/16/42/362201642.db2.gz OYTXOKUIIGYJNJ-RCDICMHDSA-N 0 3 313.382 2.321 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCc2cc(OC)ccc21 ZINC000272819756 210219609 /nfs/dbraw/zinc/21/96/09/210219609.db2.gz FMHVGMSXVNQEIL-MRXNPFEDSA-N 0 3 309.431 2.263 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](C)CCc1ccc(OC)cc1 ZINC000272815080 210215534 /nfs/dbraw/zinc/21/55/34/210215534.db2.gz DXFYMCDWSKIGTK-CQSZACIVSA-N 0 3 311.447 2.207 20 30 DEEDHN CN1CCN(c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cn2)CC1 ZINC000192645172 529777801 /nfs/dbraw/zinc/77/78/01/529777801.db2.gz GMSQCJDMZAGZMH-RDJZCZTQSA-N 0 3 313.449 2.005 20 30 DEEDHN COC(=O)CC1(NCc2ccc(C#N)cc2C)CCOCC1 ZINC000614403538 362372765 /nfs/dbraw/zinc/37/27/65/362372765.db2.gz IIHUXTCWVOUFSX-UHFFFAOYSA-N 0 3 302.374 2.069 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000614876442 362480809 /nfs/dbraw/zinc/48/08/09/362480809.db2.gz ZABWKJFWEQAXMP-AEFFLSMTSA-N 0 3 320.433 2.130 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000614962684 362499150 /nfs/dbraw/zinc/49/91/50/362499150.db2.gz CLQLKJJTTYVHOV-APWZRJJASA-N 0 3 312.461 2.331 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000615416051 362605606 /nfs/dbraw/zinc/60/56/06/362605606.db2.gz OKWGLTRGZNBJDN-ZBFHGGJFSA-N 0 3 308.447 2.064 20 30 DEEDHN CC(C)n1nccc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000134154509 539509750 /nfs/dbraw/zinc/50/97/50/539509750.db2.gz GJQODWJOGCWFAY-LBPRGKRZSA-N 0 3 312.377 2.272 20 30 DEEDHN CC1(C)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1O ZINC000279652055 215033424 /nfs/dbraw/zinc/03/34/24/215033424.db2.gz BUCOCAOLOBHIMH-AWEZNQCLSA-N 0 3 321.808 2.243 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)NCC(=O)NC(C)(C)CC)CC1 ZINC001480530657 1151843037 /nfs/dbraw/zinc/84/30/37/1151843037.db2.gz LTNFYHILOLMSFL-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@H](O)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000616478160 362868689 /nfs/dbraw/zinc/86/86/89/362868689.db2.gz MAFNVJBIVONZTD-DLBZAZTESA-N 0 3 302.418 2.045 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000595460596 358455426 /nfs/dbraw/zinc/45/54/26/358455426.db2.gz FIIVLZDRYVHEKD-XJKSGUPXSA-N 0 3 300.406 2.403 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c(F)c1 ZINC000171963021 198016309 /nfs/dbraw/zinc/01/63/09/198016309.db2.gz UIBPVVDUTZOQFF-INIZCTEOSA-N 0 3 317.408 2.242 20 30 DEEDHN C[C@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000617263873 363070116 /nfs/dbraw/zinc/07/01/16/363070116.db2.gz UPPNQCCHYNXXOZ-HOCLYGCPSA-N 0 3 320.458 2.320 20 30 DEEDHN C=CCN(CC=C)C(=O)CN(C)CCCc1nccn1CCC ZINC000277214166 213372644 /nfs/dbraw/zinc/37/26/44/213372644.db2.gz NMTCBGCJMWLXIN-UHFFFAOYSA-N 0 3 318.465 2.358 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000328744301 539910451 /nfs/dbraw/zinc/91/04/51/539910451.db2.gz NXYKFEANVIJWTA-CYBMUJFWSA-N 0 3 308.426 2.038 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000329269587 539917119 /nfs/dbraw/zinc/91/71/19/539917119.db2.gz GWVOTOIYLHYQBT-OAHLLOKOSA-N 0 3 319.453 2.185 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000329436385 539921017 /nfs/dbraw/zinc/92/10/17/539921017.db2.gz JBJBRISTFHGJMB-DOMZBBRYSA-N 0 3 301.390 2.251 20 30 DEEDHN CN1CCC(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000329563650 539923158 /nfs/dbraw/zinc/92/31/58/539923158.db2.gz GUYBICPJDZVPRL-INIZCTEOSA-N 0 3 321.465 2.323 20 30 DEEDHN CC(C)n1cc(C2=CCCN(CCOCCC#N)CC2)nn1 ZINC000595524314 358473242 /nfs/dbraw/zinc/47/32/42/358473242.db2.gz LLJBQLOULLYTQI-UHFFFAOYSA-N 0 3 303.410 2.268 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1F ZINC000331879323 234229561 /nfs/dbraw/zinc/22/95/61/234229561.db2.gz HQJCTZJZPJLSPJ-XHSDSOJGSA-N 0 3 304.365 2.059 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000173392416 198209784 /nfs/dbraw/zinc/20/97/84/198209784.db2.gz BBNXXJOUBFWIRT-HNNXBMFYSA-N 0 3 317.458 2.364 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](COCc2ccccc2)C1 ZINC000173984059 198276600 /nfs/dbraw/zinc/27/66/00/198276600.db2.gz GQXMLAHOGZSLRX-RDJZCZTQSA-N 0 3 302.418 2.216 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCCc2ccc(C#N)cc2)CN1C1CC1 ZINC000595552963 358481586 /nfs/dbraw/zinc/48/15/86/358481586.db2.gz BYTBUALZGCCXNU-BBRMVZONSA-N 0 3 312.417 2.025 20 30 DEEDHN Cc1csc(C(C#N)C(=O)CSc2nc(C)cc(N)n2)n1 ZINC000023106335 354057717 /nfs/dbraw/zinc/05/77/17/354057717.db2.gz RIYPAJPSCREOHS-VIFPVBQESA-N 0 3 319.415 2.101 20 30 DEEDHN N#Cc1ccc(NCC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000618038279 363356742 /nfs/dbraw/zinc/35/67/42/363356742.db2.gz CVLXDKJOUPMYRV-KRWDZBQOSA-N 0 3 312.417 2.103 20 30 DEEDHN CCOCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000048238871 354346498 /nfs/dbraw/zinc/34/64/98/354346498.db2.gz ZZAYFKGANINXQY-UHFFFAOYSA-N 0 3 317.433 2.265 20 30 DEEDHN CCCNC(=O)[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000050993657 354377725 /nfs/dbraw/zinc/37/77/25/354377725.db2.gz QNSBZJJHVCJMQA-INIZCTEOSA-N 0 3 315.417 2.175 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(NC(N)=O)c2)nc(C)n1 ZINC000049405035 354360558 /nfs/dbraw/zinc/36/05/58/354360558.db2.gz BCNZYUCBQRMKSB-CYBMUJFWSA-N 0 3 309.329 2.074 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc([S@@](C)=O)cc2)nc(C)n1 ZINC000049405099 354361648 /nfs/dbraw/zinc/36/16/48/354361648.db2.gz AUDKJWOTZJYJCJ-PEBXRYMYSA-N 0 3 313.382 2.321 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(C)CC1 ZINC000056794405 354543501 /nfs/dbraw/zinc/54/35/01/354543501.db2.gz UYDCQZIUZIBDFH-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 ZINC000057154357 354558686 /nfs/dbraw/zinc/55/86/86/354558686.db2.gz CDQNVHYGTCEHIP-UHFFFAOYSA-N 0 3 320.396 2.427 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000066189543 354704504 /nfs/dbraw/zinc/70/45/04/354704504.db2.gz GOXHEJZSRWASOB-WMLDXEAASA-N 0 3 312.417 2.499 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)ccc2NC(C)=O)CC1 ZINC000068025056 354791565 /nfs/dbraw/zinc/79/15/65/354791565.db2.gz CLVFZIIVKNNGRV-UHFFFAOYSA-N 0 3 313.401 2.237 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc3nnc(CC)n3n2)CC1 ZINC000068702362 354827289 /nfs/dbraw/zinc/82/72/89/354827289.db2.gz CGNLDQJVIFLPMU-UHFFFAOYSA-N 0 3 300.410 2.139 20 30 DEEDHN CCOC[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072975996 354934115 /nfs/dbraw/zinc/93/41/15/354934115.db2.gz QQAQCUMFBLHSHN-IRXDYDNUSA-N 0 3 318.417 2.046 20 30 DEEDHN C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000074161362 355010776 /nfs/dbraw/zinc/01/07/76/355010776.db2.gz PXKGVYRINXXIQS-ZFWWWQNUSA-N 0 3 300.406 2.260 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1C#N ZINC000079050032 355293393 /nfs/dbraw/zinc/29/33/93/355293393.db2.gz PNQXXGZCPIJJFN-QWHCGFSZSA-N 0 3 300.406 2.254 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000079300370 355304923 /nfs/dbraw/zinc/30/49/23/355304923.db2.gz OYWSSHNRSPIHCM-HNNXBMFYSA-N 0 3 314.433 2.236 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000247033165 283104117 /nfs/dbraw/zinc/10/41/17/283104117.db2.gz VBVFASVDAUNOKU-JKSUJKDBSA-N 0 3 321.465 2.466 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124707768 355809724 /nfs/dbraw/zinc/80/97/24/355809724.db2.gz ILWSYMROJJYQTR-NWDGAFQWSA-N 0 3 305.344 2.459 20 30 DEEDHN C[C@@H]1SCCN(C[C@H](O)COc2ccccc2C#N)[C@H]1C ZINC000132667199 355852253 /nfs/dbraw/zinc/85/22/53/355852253.db2.gz LLJKWKFYFFWTJD-YDHLFZDLSA-N 0 3 306.431 2.124 20 30 DEEDHN N#Cc1ccc(OCCN2CCN(c3ccncc3)CC2)cc1 ZINC000161396478 355968658 /nfs/dbraw/zinc/96/86/58/355968658.db2.gz CISXFPYMXZWXOA-UHFFFAOYSA-N 0 3 308.385 2.154 20 30 DEEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCCO1 ZINC000182232629 356115366 /nfs/dbraw/zinc/11/53/66/356115366.db2.gz VSXLWWZCWARCLI-DUVNUKRYSA-N 0 3 301.390 2.432 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC(F)(F)C2)cc1 ZINC000315284120 356423337 /nfs/dbraw/zinc/42/33/37/356423337.db2.gz WDSMMGNHHVDSPX-GFCCVEGCSA-N 0 3 314.357 2.109 20 30 DEEDHN N#CC[C@@H]1CCCN(CCC(=O)N2CCOc3ccccc32)C1 ZINC000595623680 358504935 /nfs/dbraw/zinc/50/49/35/358504935.db2.gz XDQXYNNRASQWBB-HNNXBMFYSA-N 0 3 313.401 2.428 20 30 DEEDHN CCSCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000380484703 356669220 /nfs/dbraw/zinc/66/92/20/356669220.db2.gz XETDGHZUTWSUQP-UHFFFAOYSA-N 0 3 312.460 2.065 20 30 DEEDHN C=C[C@H](N[C@@H](CN(C)Cc1ccccc1)C(C)C)C(=O)OC ZINC000398155552 356720765 /nfs/dbraw/zinc/72/07/65/356720765.db2.gz QOSMEYFKXAHORQ-IRXDYDNUSA-N 0 3 304.434 2.460 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CNCCOC2CCCC2)cc1 ZINC000578759197 356868416 /nfs/dbraw/zinc/86/84/16/356868416.db2.gz XGECCTBUQYTWHN-INIZCTEOSA-N 0 3 318.417 2.041 20 30 DEEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000578769878 356870814 /nfs/dbraw/zinc/87/08/14/356870814.db2.gz BXDQHSOTJWJNSC-BBRMVZONSA-N 0 3 313.405 2.116 20 30 DEEDHN Cc1nc(C)n(C2CN(C(=O)C(C#N)CCc3ccccc3)C2)n1 ZINC000579852030 357043498 /nfs/dbraw/zinc/04/34/98/357043498.db2.gz ZNFQUPGVELZAPD-MRXNPFEDSA-N 0 3 323.400 2.051 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000581186732 357145211 /nfs/dbraw/zinc/14/52/11/357145211.db2.gz YMGRDQWMGIBQEU-USXIJHARSA-N 0 3 312.369 2.231 20 30 DEEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1F ZINC000589350185 357466418 /nfs/dbraw/zinc/46/64/18/357466418.db2.gz WSMSGFYYNXEYMO-AWEZNQCLSA-N 0 3 302.353 2.303 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(C#N)n2)C1 ZINC000589434275 357469141 /nfs/dbraw/zinc/46/91/41/357469141.db2.gz FJNSHQKXLWNHNT-QGZVFWFLSA-N 0 3 320.396 2.300 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cncnc1CC)C(C)C ZINC000590319296 357532802 /nfs/dbraw/zinc/53/28/02/357532802.db2.gz OLRBFQWYNUTDEA-QGZVFWFLSA-N 0 3 316.449 2.467 20 30 DEEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000590603028 357565292 /nfs/dbraw/zinc/56/52/92/357565292.db2.gz KUULNTHNKMCEIU-OTWHNJEPSA-N 0 3 313.445 2.420 20 30 DEEDHN C[C@@H]1NCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000591358169 357713513 /nfs/dbraw/zinc/71/35/13/357713513.db2.gz QFXYALFTDYZUSD-QWRGUYRKSA-N 0 3 306.797 2.103 20 30 DEEDHN COC1CCN(CCNc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000591149379 357680894 /nfs/dbraw/zinc/68/08/94/357680894.db2.gz VKVWGALTLFUKOF-UHFFFAOYSA-N 0 3 318.377 2.298 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000591241497 357694052 /nfs/dbraw/zinc/69/40/52/357694052.db2.gz LMYCWEBGEOVDHQ-IAGOWNOFSA-N 0 3 301.434 2.276 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000591241499 357694482 /nfs/dbraw/zinc/69/44/82/357694482.db2.gz LMYCWEBGEOVDHQ-SJORKVTESA-N 0 3 301.434 2.276 20 30 DEEDHN COCCN(CCC#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000591317426 357705723 /nfs/dbraw/zinc/70/57/23/357705723.db2.gz RWOIENPNHOGOHL-MRXNPFEDSA-N 0 3 303.406 2.068 20 30 DEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cc2cccc(F)c2o1 ZINC000591763503 357757555 /nfs/dbraw/zinc/75/75/55/357757555.db2.gz OZSXBQGEJKBVED-TZMCWYRMSA-N 0 3 319.380 2.429 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OCC)CC2)CC1 ZINC000592301999 357860913 /nfs/dbraw/zinc/86/09/13/357860913.db2.gz OKEKORMSWSWCHC-UHFFFAOYSA-N 0 3 309.454 2.237 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCN1CCCCC1 ZINC000593111000 358012968 /nfs/dbraw/zinc/01/29/68/358012968.db2.gz AWAPMPOHENSWIY-HNNXBMFYSA-N 0 3 314.433 2.303 20 30 DEEDHN C[C@]1(NC(=O)NCCCC#N)CCN(Cc2ccccc2)C1 ZINC000593391541 358066798 /nfs/dbraw/zinc/06/67/98/358066798.db2.gz NBXATWZOMBNRAL-KRWDZBQOSA-N 0 3 300.406 2.254 20 30 DEEDHN CC[C@H](C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000593462760 358084538 /nfs/dbraw/zinc/08/45/38/358084538.db2.gz YQSSUXMWYXPABO-CQSZACIVSA-N 0 3 309.479 2.404 20 30 DEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000593557505 358102354 /nfs/dbraw/zinc/10/23/54/358102354.db2.gz DALZXBSMLKOMNZ-PELKAZGASA-N 0 3 312.728 2.359 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCCC[C@@H]1CO ZINC000594014386 358188997 /nfs/dbraw/zinc/18/89/97/358188997.db2.gz CTJJLVAOAPSSIT-OAHLLOKOSA-N 0 3 304.390 2.183 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000594284265 358238830 /nfs/dbraw/zinc/23/88/30/358238830.db2.gz TXUFHBSAIYAYGQ-BFYDXBDKSA-N 0 3 304.438 2.339 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000594337783 358245319 /nfs/dbraw/zinc/24/53/19/358245319.db2.gz LSCPDCXXRMBANW-OLMNPRSZSA-N 0 3 311.429 2.289 20 30 DEEDHN CCC(C)(C)N1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000594592306 358299818 /nfs/dbraw/zinc/29/98/18/358299818.db2.gz UHHNVGOGFAYLIE-UHFFFAOYSA-N 0 3 314.433 2.337 20 30 DEEDHN C=CCC[C@@H](NC1CCN(C[C@@H]2CCCO2)CC1)C(=O)OCC ZINC000594610015 358305327 /nfs/dbraw/zinc/30/53/27/358305327.db2.gz RLBIOJBRVQCRAX-DLBZAZTESA-N 0 3 324.465 2.117 20 30 DEEDHN Cc1nc(CNC2CCN(c3ccc(C#N)cn3)CC2)[nH]c1C ZINC000594928345 358361362 /nfs/dbraw/zinc/36/13/62/358361362.db2.gz VDZVZBXYQSUNEN-UHFFFAOYSA-N 0 3 310.405 2.052 20 30 DEEDHN Cc1c[nH]c(CNC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000594951033 358366867 /nfs/dbraw/zinc/36/68/67/358366867.db2.gz WXAVIDQKZKHCJV-UHFFFAOYSA-N 0 3 309.417 2.344 20 30 DEEDHN COc1cccc(C2(NC(=O)[C@H](N)CCCC#N)CCC2)c1 ZINC000595259190 358407913 /nfs/dbraw/zinc/40/79/13/358407913.db2.gz INTHKSWQKSKZDA-OAHLLOKOSA-N 0 3 301.390 2.212 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000618816239 363611310 /nfs/dbraw/zinc/61/13/10/363611310.db2.gz KMSZYGTWHNLNKM-SJLPKXTDSA-N 0 3 324.428 2.329 20 30 DEEDHN COc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1C#N ZINC000595829631 358558426 /nfs/dbraw/zinc/55/84/26/358558426.db2.gz RZKVDQNQHVKCBY-HNNXBMFYSA-N 0 3 313.401 2.011 20 30 DEEDHN CO[C@@H](C)CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000181069092 199247652 /nfs/dbraw/zinc/24/76/52/199247652.db2.gz SAKCAZGRZHMPGB-HNNXBMFYSA-N 0 3 317.433 2.264 20 30 DEEDHN Cc1ccc(C#N)nc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000596247435 358651260 /nfs/dbraw/zinc/65/12/60/358651260.db2.gz OUYCWLVNSKXEPW-GOSISDBHSA-N 0 3 322.412 2.093 20 30 DEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000596471582 358693863 /nfs/dbraw/zinc/69/38/63/358693863.db2.gz YIZJWGDLPUUJNN-SFHVURJKSA-N 0 3 322.412 2.275 20 30 DEEDHN C=CCCSCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000596717286 358745760 /nfs/dbraw/zinc/74/57/60/358745760.db2.gz LGGYFUVNDCVDPV-LSDHHAIUSA-N 0 3 311.495 2.421 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618850103 363616751 /nfs/dbraw/zinc/61/67/51/363616751.db2.gz VGQRTHZFDJVTDL-NVXWUHKLSA-N 0 3 312.417 2.281 20 30 DEEDHN C=CC[C@H](C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000627264007 366493087 /nfs/dbraw/zinc/49/30/87/366493087.db2.gz MREQTYPENJNAIV-KURKYZTESA-N 0 3 314.429 2.014 20 30 DEEDHN COC(=O)COc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597176300 358843886 /nfs/dbraw/zinc/84/38/86/358843886.db2.gz HKNQNILMCMZBED-CQSZACIVSA-N 0 3 302.374 2.364 20 30 DEEDHN N#CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597904993 359036444 /nfs/dbraw/zinc/03/64/44/359036444.db2.gz WAWHCILRKJPCFK-SJORKVTESA-N 0 3 306.369 2.393 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CCN1 ZINC000598572116 359245716 /nfs/dbraw/zinc/24/57/16/359245716.db2.gz LCLIBVBBKLQDMV-OAHLLOKOSA-N 0 3 310.401 2.235 20 30 DEEDHN COCCN(CCc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598587357 359251292 /nfs/dbraw/zinc/25/12/92/359251292.db2.gz RBPKHBVIUGZYCY-QGZVFWFLSA-N 0 3 304.434 2.478 20 30 DEEDHN CCCNC(=O)c1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598714920 359303121 /nfs/dbraw/zinc/30/31/21/359303121.db2.gz KMJOCYXEVSDYCI-INIZCTEOSA-N 0 3 317.433 2.217 20 30 DEEDHN CCn1ccnc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598738332 359309801 /nfs/dbraw/zinc/30/98/01/359309801.db2.gz KDUWWGPYBPBLCC-BBRMVZONSA-N 0 3 321.384 2.334 20 30 DEEDHN C[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000598619493 359263116 /nfs/dbraw/zinc/26/31/16/359263116.db2.gz DCLHSBPEFCDHPS-STQMWFEESA-N 0 3 321.387 2.103 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000598622042 359263977 /nfs/dbraw/zinc/26/39/77/359263977.db2.gz XVGXXAHVRFMNHG-PMPSAXMXSA-N 0 3 306.381 2.234 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCn2cncc2C1 ZINC000598949985 359364440 /nfs/dbraw/zinc/36/44/40/359364440.db2.gz YTNZSWQHAIRHSC-JKSUJKDBSA-N 0 3 308.385 2.087 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCO)c2ccco2)CC1 ZINC000187259454 200084548 /nfs/dbraw/zinc/08/45/48/200084548.db2.gz BLGZLSSYBKAVLG-OAHLLOKOSA-N 0 3 321.421 2.043 20 30 DEEDHN C=CC[NH+]1CCC(NC(=O)c2cc(SC)ccc2[O-])CC1 ZINC000668369101 540655256 /nfs/dbraw/zinc/65/52/56/540655256.db2.gz ONAUXZSJYUSFBL-UHFFFAOYSA-N 0 3 306.431 2.494 20 30 DEEDHN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)CCCN(C)C ZINC000601307667 360002112 /nfs/dbraw/zinc/00/21/12/360002112.db2.gz DEWIRIMHHQTBBG-AWEZNQCLSA-N 0 3 323.462 2.223 20 30 DEEDHN CN(C)Cc1cccc(NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000601935305 360197604 /nfs/dbraw/zinc/19/76/04/360197604.db2.gz RTPFPMSLFCGUQH-UHFFFAOYSA-N 0 3 322.412 2.348 20 30 DEEDHN CC[C@@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)N(C)C ZINC000602191783 360305880 /nfs/dbraw/zinc/30/58/80/360305880.db2.gz LTUREQPBJUNYKB-KRWDZBQOSA-N 0 3 314.433 2.301 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000602570510 360438775 /nfs/dbraw/zinc/43/87/75/360438775.db2.gz BANSTSZJYVKQDE-ZIAGYGMSSA-N 0 3 307.438 2.074 20 30 DEEDHN CC[C@H](C)[C@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602671368 360487807 /nfs/dbraw/zinc/48/78/07/360487807.db2.gz JLKMMHHPMBFEIQ-BPUTZDHNSA-N 0 3 303.406 2.467 20 30 DEEDHN N#Cc1ccncc1N1CCN(CC2CCSCC2)CC1 ZINC000602673280 360488833 /nfs/dbraw/zinc/48/88/33/360488833.db2.gz QLHQSUCKULIUHT-UHFFFAOYSA-N 0 3 302.447 2.218 20 30 DEEDHN CN(CCCN1C(=O)c2ccccc2C1=O)CC1(CC#N)CC1 ZINC000602846098 360588072 /nfs/dbraw/zinc/58/80/72/360588072.db2.gz LSXQQUFKQOJJLZ-UHFFFAOYSA-N 0 3 311.385 2.298 20 30 DEEDHN COCc1cc(C#N)ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000603319658 360790898 /nfs/dbraw/zinc/79/08/98/360790898.db2.gz QSGUJNWTIOUYME-KRWDZBQOSA-N 0 3 315.417 2.370 20 30 DEEDHN COCCOCc1cc(C#N)ccc1NCC1=CCN(C)CC1 ZINC000603331025 360794691 /nfs/dbraw/zinc/79/46/91/360794691.db2.gz POHTVICGGKEQNJ-UHFFFAOYSA-N 0 3 315.417 2.395 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609283483 361296648 /nfs/dbraw/zinc/29/66/48/361296648.db2.gz IFQJSRWMXYFPRT-OAHLLOKOSA-N 0 3 310.401 2.331 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000672454293 541044959 /nfs/dbraw/zinc/04/49/59/541044959.db2.gz AVUSGWQDFQXJSO-OAHLLOKOSA-N 0 3 303.406 2.145 20 30 DEEDHN Cc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000619359138 363772218 /nfs/dbraw/zinc/77/22/18/363772218.db2.gz DAVGRJVIFPVKFB-AWEZNQCLSA-N 0 3 310.382 2.322 20 30 DEEDHN C[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)N(C)C1CC1 ZINC000610404814 361395358 /nfs/dbraw/zinc/39/53/58/361395358.db2.gz PGTOYJFUQLPCHK-CHWSQXEVSA-N 0 3 300.406 2.401 20 30 DEEDHN COc1cc(F)c([C@@H](C)NC2CCN(CC#N)CC2)cc1OC ZINC000610813871 361471584 /nfs/dbraw/zinc/47/15/84/361471584.db2.gz VIDHKZNESUGMTN-GFCCVEGCSA-N 0 3 321.396 2.481 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000673011017 541081948 /nfs/dbraw/zinc/08/19/48/541081948.db2.gz RQFQLZODMQWDKJ-HOCLYGCPSA-N 0 3 305.422 2.180 20 30 DEEDHN N#Cc1nnc2ccccc2c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000610908564 361491206 /nfs/dbraw/zinc/49/12/06/361491206.db2.gz IZMYYYPFRVCHOF-CQSZACIVSA-N 0 3 323.400 2.167 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc(C#N)nn1 ZINC000611242735 361559294 /nfs/dbraw/zinc/55/92/94/361559294.db2.gz SLQHQXDGEOYSAA-LSDHHAIUSA-N 0 3 307.401 2.447 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000611205026 361549016 /nfs/dbraw/zinc/54/90/16/361549016.db2.gz HBPPMVKOKPDAHH-GXTWGEPZSA-N 0 3 319.405 2.454 20 30 DEEDHN Cc1nccn1CCCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611431991 361599120 /nfs/dbraw/zinc/59/91/20/361599120.db2.gz GNUDBMOZGNYAIO-KRWDZBQOSA-N 0 3 303.454 2.138 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3cc4ccccc4n3CC#N)[C@@H]2C1 ZINC000611521111 361621203 /nfs/dbraw/zinc/62/12/03/361621203.db2.gz VTOFMLJZZRWWLU-RDTXWAMCSA-N 0 3 322.412 2.331 20 30 DEEDHN COc1cc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1C#N ZINC000281562450 216384645 /nfs/dbraw/zinc/38/46/45/216384645.db2.gz CAXBCQRGYUFYJB-CQSZACIVSA-N 0 3 301.390 2.056 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000675134222 541291483 /nfs/dbraw/zinc/29/14/83/541291483.db2.gz DNCWUHBVZAPWQM-WBVHZDCISA-N 0 3 302.418 2.358 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCOC(C)(C)C)CC1 ZINC000676151488 541419949 /nfs/dbraw/zinc/41/99/49/541419949.db2.gz RFLXRPOPWQVYRN-UHFFFAOYSA-N 0 3 311.470 2.483 20 30 DEEDHN C=CCN1CCC(NC(=O)N2Cc3cccc(OC)c3C2)CC1 ZINC000623635080 365110180 /nfs/dbraw/zinc/11/01/80/365110180.db2.gz TZBKTBASWIXWMI-UHFFFAOYSA-N 0 3 315.417 2.371 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070544 193152026 /nfs/dbraw/zinc/15/20/26/193152026.db2.gz FKOAIWPCFWZPOK-MRXNPFEDSA-N 0 3 310.401 2.202 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000677802599 541629431 /nfs/dbraw/zinc/62/94/31/541629431.db2.gz UGGJWRQDXQXZCJ-HNNXBMFYSA-N 0 3 321.417 2.484 20 30 DEEDHN C=CC[C@@H](C(=O)NCCN1CCN(CC)CC1)c1ccccc1 ZINC000275241045 212218609 /nfs/dbraw/zinc/21/86/09/212218609.db2.gz GJLFBSVRHHUKND-GOSISDBHSA-N 0 3 315.461 2.100 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451480002 243009494 /nfs/dbraw/zinc/00/94/94/243009494.db2.gz NXBQRGCTPKCVCE-GLRLOKQVSA-N 0 3 321.465 2.223 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCSC[C@@H]2C2CC2)cc1 ZINC000451652426 243266726 /nfs/dbraw/zinc/26/67/26/243266726.db2.gz YXEUQYZUMFVTRG-DOTOQJQBSA-N 0 3 318.442 2.125 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000264625817 204036528 /nfs/dbraw/zinc/03/65/28/204036528.db2.gz CENOUPSZHUWWAT-GOEBONIOSA-N 0 3 315.417 2.316 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(CCOc1ccc(C#N)cc1)CC2 ZINC000265103219 204398684 /nfs/dbraw/zinc/39/86/84/204398684.db2.gz YDQCHQMWVSIUQX-MRXNPFEDSA-N 0 3 314.385 2.212 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCC(C)(C)O)C(C)C ZINC000274896783 212017109 /nfs/dbraw/zinc/01/71/09/212017109.db2.gz FGCOXNNGQKECOC-OAHLLOKOSA-N 0 3 311.470 2.145 20 30 DEEDHN CC1CCC(O)(CN2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000266043148 205053033 /nfs/dbraw/zinc/05/30/33/205053033.db2.gz WUHXSHKRMAEEGR-UHFFFAOYSA-N 0 3 314.433 2.016 20 30 DEEDHN CC(C)[C@@H](CNc1ccc(F)cc1C#N)N1CCN(C)CC1 ZINC000266140999 205130633 /nfs/dbraw/zinc/13/06/33/205130633.db2.gz HDBUKDYSCLCRJY-QGZVFWFLSA-N 0 3 304.413 2.381 20 30 DEEDHN C=CCC1(CNC(=O)NCC2CCN(CCO)CC2)CCCC1 ZINC000458378472 248282639 /nfs/dbraw/zinc/28/26/39/248282639.db2.gz MLJSOLHYJJVXRK-UHFFFAOYSA-N 0 3 323.481 2.126 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000493628233 249345115 /nfs/dbraw/zinc/34/51/15/249345115.db2.gz GNLQZVMXRPRUQR-AGIUHOORSA-N 0 3 309.410 2.298 20 30 DEEDHN CCN(CC)C[C@@H](C)NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000360026455 284677350 /nfs/dbraw/zinc/67/73/50/284677350.db2.gz YUPGTJJJMRVCBI-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN N#Cc1cccc(CNC[C@@H](O)COCc2ccccc2F)c1 ZINC000320222024 291704394 /nfs/dbraw/zinc/70/43/94/291704394.db2.gz UAIAPBKIAZUYAC-QGZVFWFLSA-N 0 3 314.360 2.365 20 30 DEEDHN CCC(CC)(CNCCS(=O)(=O)c1ccc(C#N)cc1)OC ZINC000320639446 291705632 /nfs/dbraw/zinc/70/56/32/291705632.db2.gz UZCNVCBNQHUCAP-UHFFFAOYSA-N 0 3 324.446 2.127 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H](C)[C@H]2CCOC2)c(C#N)c1C ZINC000273973338 211230665 /nfs/dbraw/zinc/23/06/65/211230665.db2.gz HSVULZXGBQWZTI-JQWIXIFHSA-N 0 3 307.419 2.190 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3c2OCCO3)CC1 ZINC000106035634 194180814 /nfs/dbraw/zinc/18/08/14/194180814.db2.gz GQDYTWFWQQJDJS-UHFFFAOYSA-N 0 3 316.401 2.228 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C(=O)OC)c2)CC1 ZINC000106036125 194181453 /nfs/dbraw/zinc/18/14/53/194181453.db2.gz MYAUMWFSWGXLJR-UHFFFAOYSA-N 0 3 316.401 2.244 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)OCCCF ZINC000496810251 269685219 /nfs/dbraw/zinc/68/52/19/269685219.db2.gz LDWHEXMSFPIQSL-UHFFFAOYSA-N 0 3 307.369 2.418 20 30 DEEDHN Cc1cc2ncn(C[C@@H](O)CN3CCC(C#N)CC3)c2cc1C ZINC000057872951 184059821 /nfs/dbraw/zinc/05/98/21/184059821.db2.gz BVTNLUGHVYWBIG-INIZCTEOSA-N 0 3 312.417 2.250 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 ZINC000682363097 542288183 /nfs/dbraw/zinc/28/81/83/542288183.db2.gz HYVZWMALJBDBTI-JZXOWHBKSA-N 0 3 307.482 2.264 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269110559 207248950 /nfs/dbraw/zinc/24/89/50/207248950.db2.gz BRWOPERRNOEAIB-UHFFFAOYSA-N 0 3 301.777 2.495 20 30 DEEDHN CCN(CCN1CCCCCC1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000347306407 284928385 /nfs/dbraw/zinc/92/83/85/284928385.db2.gz IQVUDDHHYMLYCA-SFHVURJKSA-N 0 3 322.497 2.239 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c(Cl)c1 ZINC000556517748 291823222 /nfs/dbraw/zinc/82/32/22/291823222.db2.gz DUFSIPMOMXBENH-ZBFHGGJFSA-N 0 3 303.793 2.358 20 30 DEEDHN N#Cc1cccc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000270093582 208152066 /nfs/dbraw/zinc/15/20/66/208152066.db2.gz XZUZVPWMHLHKHC-SJLPKXTDSA-N 0 3 322.412 2.248 20 30 DEEDHN COCC1(C#N)CCN(CCc2nc3ccccc3n2C)CC1 ZINC000342013254 533111081 /nfs/dbraw/zinc/11/10/81/533111081.db2.gz HVOPABZMVXEEBO-UHFFFAOYSA-N 0 3 312.417 2.368 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000331577278 533111323 /nfs/dbraw/zinc/11/13/23/533111323.db2.gz OMTRPGZTQNHEIW-NSHDSACASA-N 0 3 300.387 2.105 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC000189516430 533116552 /nfs/dbraw/zinc/11/65/52/533116552.db2.gz PXJQFXWXUKFOHH-LDADJPATSA-N 0 3 303.406 2.223 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@H]1C ZINC001088869770 781993651 /nfs/dbraw/zinc/99/36/51/781993651.db2.gz BCHHNIIYRZWWJS-PBHICJAKSA-N 0 3 301.434 2.342 20 30 DEEDHN C#C[C@@H](NC(=O)Nc1cc(C)nn1C1CCN(C)CC1)C(C)C ZINC000491736402 533256952 /nfs/dbraw/zinc/25/69/52/533256952.db2.gz RARPRIQNVGBSHL-OAHLLOKOSA-N 0 3 317.437 2.238 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](OC)C[C@@H]1C ZINC000441386896 533504263 /nfs/dbraw/zinc/50/42/63/533504263.db2.gz XJJZDMZWTVCFMT-DZGCQCFKSA-N 0 3 304.390 2.445 20 30 DEEDHN CSC1(CNC(=O)c2cccc(F)c2C#N)CCN(C)CC1 ZINC000355436964 133027062 /nfs/dbraw/zinc/02/70/62/133027062.db2.gz BGBCKPJLGFMSAD-UHFFFAOYSA-N 0 3 321.421 2.255 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc4c[nH]nc43)C2)nc1 ZINC000564029217 292083600 /nfs/dbraw/zinc/08/36/00/292083600.db2.gz WUDLDIHFJAVVBX-MRXNPFEDSA-N 0 3 319.368 2.483 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564449168 292095693 /nfs/dbraw/zinc/09/56/93/292095693.db2.gz XNFDZOKBFYVEKA-MSOLQXFVSA-N 0 3 323.396 2.182 20 30 DEEDHN CC[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000317080970 145364384 /nfs/dbraw/zinc/36/43/84/145364384.db2.gz AHLBUUHGGXFEQZ-INIZCTEOSA-N 0 3 301.390 2.388 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000336657358 145396998 /nfs/dbraw/zinc/39/69/98/145396998.db2.gz QRIRNZQKQVYJBY-HNNXBMFYSA-N 0 3 309.369 2.403 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cscc2C#N)C[C@@H](C)C1 ZINC000346179023 146032137 /nfs/dbraw/zinc/03/21/37/146032137.db2.gz GGEWTNKYFSBKLB-HUBLWGQQSA-N 0 3 303.431 2.422 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000346689038 146124591 /nfs/dbraw/zinc/12/45/91/146124591.db2.gz PUZXLFYQRFWGKW-BBRMVZONSA-N 0 3 308.385 2.452 20 30 DEEDHN C[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(F)F ZINC000359044642 147252674 /nfs/dbraw/zinc/25/26/74/147252674.db2.gz IVSXHCQYNOTBSY-DOMZBBRYSA-N 0 3 321.371 2.350 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)NCCn1cccn1 ZINC000112547934 401748993 /nfs/dbraw/zinc/74/89/93/401748993.db2.gz VGFUUMIMKVFJMO-CQSZACIVSA-N 0 3 318.446 2.138 20 30 DEEDHN CCCCN(C)CCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000112310384 401738746 /nfs/dbraw/zinc/73/87/46/401738746.db2.gz QCTAJUFOVQEHPJ-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000111259557 401704813 /nfs/dbraw/zinc/70/48/13/401704813.db2.gz JFHXCPRFSDHSJL-HOCLYGCPSA-N 0 3 322.449 2.075 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)O[C@@H](CC)C2)CC1 ZINC000111495948 401717139 /nfs/dbraw/zinc/71/71/39/401717139.db2.gz SXIZSXGIPKBBHH-HOCLYGCPSA-N 0 3 309.454 2.236 20 30 DEEDHN CCCN(CC(=O)N(CC)CCC#N)Cc1ccccc1O ZINC000075829110 401769695 /nfs/dbraw/zinc/76/96/95/401769695.db2.gz OEVSNZLWQOYSFI-UHFFFAOYSA-N 0 3 303.406 2.366 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000075885936 401772792 /nfs/dbraw/zinc/77/27/92/401772792.db2.gz KDYBTSDNYRILMC-INIZCTEOSA-N 0 3 317.433 2.260 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCC2(C1)CCCCC2 ZINC000129873215 401810302 /nfs/dbraw/zinc/81/03/02/401810302.db2.gz FULWBSCXWCZURA-UHFFFAOYSA-N 0 3 302.422 2.299 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@H]2CCc3ccccc32)C(N)=O)cc1 ZINC000115599982 401834003 /nfs/dbraw/zinc/83/40/03/401834003.db2.gz ZADPLJXGZZBEIQ-SJLPKXTDSA-N 0 3 305.381 2.404 20 30 DEEDHN C#CCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000077375576 401812937 /nfs/dbraw/zinc/81/29/37/401812937.db2.gz XPAAZQLNYNPFLE-LLVKDONJSA-N 0 3 322.206 2.128 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)CSCC#N)CN1Cc1ccccc1 ZINC000134900610 401918659 /nfs/dbraw/zinc/91/86/59/401918659.db2.gz JRBMMNTVIJMPRZ-ZFWWWQNUSA-N 0 3 303.431 2.022 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000135016975 401924068 /nfs/dbraw/zinc/92/40/68/401924068.db2.gz LGJWEEWMGMXVTP-INIZCTEOSA-N 0 3 305.422 2.181 20 30 DEEDHN C=CCN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000121216004 402021030 /nfs/dbraw/zinc/02/10/30/402021030.db2.gz XKUAALUAHMMRTL-INIZCTEOSA-N 0 3 315.461 2.274 20 30 DEEDHN CC1CCN(CCNC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000048981870 402010185 /nfs/dbraw/zinc/01/01/85/402010185.db2.gz DVYFWJODMNUZGU-UHFFFAOYSA-N 0 3 300.406 2.089 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000066390470 402132579 /nfs/dbraw/zinc/13/25/79/402132579.db2.gz DFCWDMLBJCDRRO-AWEZNQCLSA-N 0 3 320.408 2.154 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000123742143 402144103 /nfs/dbraw/zinc/14/41/03/402144103.db2.gz PDBSIODHVVHUDW-KRWDZBQOSA-N 0 3 323.481 2.410 20 30 DEEDHN CSC[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000066831423 402142850 /nfs/dbraw/zinc/14/28/50/402142850.db2.gz PLITWGHOZGXSIX-CQSZACIVSA-N 0 3 319.474 2.448 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC1CCN(C)CC1 ZINC000103453929 402189297 /nfs/dbraw/zinc/18/92/97/402189297.db2.gz KHOCKVVWCDXNAC-AWEZNQCLSA-N 0 3 315.417 2.126 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000155380426 402254709 /nfs/dbraw/zinc/25/47/09/402254709.db2.gz MIXJMFCFEDJGBQ-FUHWJXTLSA-N 0 3 314.429 2.196 20 30 DEEDHN C=C(C)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000154306183 402204621 /nfs/dbraw/zinc/20/46/21/402204621.db2.gz JUCIOEUPHJRSJU-UHFFFAOYSA-N 0 3 301.434 2.281 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1Cc1ccccc1 ZINC000176121576 402281081 /nfs/dbraw/zinc/28/10/81/402281081.db2.gz SKXHKGSELOLWAN-ZBFHGGJFSA-N 0 3 317.458 2.412 20 30 DEEDHN CC#CCCN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000158036769 402301277 /nfs/dbraw/zinc/30/12/77/402301277.db2.gz GNTFCXOHKXVGKP-CABCVRRESA-N 0 3 310.438 2.404 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)C(C)C ZINC000160403231 402343949 /nfs/dbraw/zinc/34/39/49/402343949.db2.gz WZWSIRQTBSVYQV-FUHWJXTLSA-N 0 3 323.481 2.241 20 30 DEEDHN CN1CCN(c2cc(CN[C@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000185781496 402376600 /nfs/dbraw/zinc/37/66/00/402376600.db2.gz JHKUDNZZCPVAPB-WBVHZDCISA-N 0 3 313.449 2.005 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000186229068 402413411 /nfs/dbraw/zinc/41/34/11/402413411.db2.gz DLBCCOHFSHTPPL-GOSISDBHSA-N 0 3 313.445 2.411 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(C#N)c[nH]1 ZINC000177777376 402435078 /nfs/dbraw/zinc/43/50/78/402435078.db2.gz QSBVHBAKMLPDRU-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(OC)c(C#N)c2)C1(C)C ZINC000186579711 402443761 /nfs/dbraw/zinc/44/37/61/402443761.db2.gz LJSBAYDCEKKGJY-AEFFLSMTSA-N 0 3 318.417 2.223 20 30 DEEDHN C=CCCS(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000178284331 402480026 /nfs/dbraw/zinc/48/00/26/402480026.db2.gz BESOFKHFLGNFSC-UHFFFAOYSA-N 0 3 308.447 2.278 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2nc(C)cc(C)c2C#N)CC1 ZINC000189440726 402537530 /nfs/dbraw/zinc/53/75/30/402537530.db2.gz FOOUDGPKPAITLM-CQSZACIVSA-N 0 3 315.465 2.256 20 30 DEEDHN Cn1cc(CNCCN2CCc3sccc3C2)cc1C#N ZINC000190850609 402627656 /nfs/dbraw/zinc/62/76/56/402627656.db2.gz ZFYGIVCQMHLZNV-UHFFFAOYSA-N 0 3 300.431 2.106 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(F)cc2)CC1 ZINC000171680372 402609097 /nfs/dbraw/zinc/60/90/97/402609097.db2.gz PXUXKDMSGDLIPH-UHFFFAOYSA-N 0 3 305.397 2.318 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2c(C)nn(C)c2Cl)CC1 ZINC000171721258 402614201 /nfs/dbraw/zinc/61/42/01/402614201.db2.gz FZGIHLKQUZWGIN-AATRIKPKSA-N 0 3 322.840 2.162 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000171740731 402617497 /nfs/dbraw/zinc/61/74/97/402617497.db2.gz TXHHTMXASAQGIE-UHFFFAOYSA-N 0 3 319.405 2.476 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)c1nnc2n1CCCCC2 ZINC000180506562 402618766 /nfs/dbraw/zinc/61/87/66/402618766.db2.gz XAZPBTGTWWMGMW-CYBMUJFWSA-N 0 3 301.394 2.061 20 30 DEEDHN C[C@H](O)CN1CCN(CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000249289293 402625109 /nfs/dbraw/zinc/62/51/09/402625109.db2.gz PECCIGRFQDIVAB-CABCVRRESA-N 0 3 306.837 2.078 20 30 DEEDHN C=C(C)CN(C)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000181044018 402634051 /nfs/dbraw/zinc/63/40/51/402634051.db2.gz JPOFOJMGUIJOMB-UHFFFAOYSA-N 0 3 312.797 2.221 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1cccc(C#N)c1 ZINC000249785952 402641735 /nfs/dbraw/zinc/64/17/35/402641735.db2.gz RQGJWSMKEBYNMR-CABCVRRESA-N 0 3 314.433 2.478 20 30 DEEDHN Cn1cc(CNCCc2nc3cc(F)ccc3n2C)cc1C#N ZINC000191131708 402644426 /nfs/dbraw/zinc/64/44/26/402644426.db2.gz HJTUNJJZPIGLOA-UHFFFAOYSA-N 0 3 311.364 2.255 20 30 DEEDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191293425 402657971 /nfs/dbraw/zinc/65/79/71/402657971.db2.gz TYYAMGWYAJMIOI-GDBMZVCRSA-N 0 3 316.449 2.414 20 30 DEEDHN Cn1cc(CNC[C@H]2COC3(CCCCCC3)O2)cc1C#N ZINC000191566077 402679025 /nfs/dbraw/zinc/67/90/25/402679025.db2.gz YUMKVNCPGDXTCM-INIZCTEOSA-N 0 3 303.406 2.452 20 30 DEEDHN CC1(C#N)CCC(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263517190 402776642 /nfs/dbraw/zinc/77/66/42/402776642.db2.gz PECUPYIBNCBLGO-UHFFFAOYSA-N 0 3 319.449 2.376 20 30 DEEDHN CC1(C#N)CCC(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263517190 402776644 /nfs/dbraw/zinc/77/66/44/402776644.db2.gz PECUPYIBNCBLGO-UHFFFAOYSA-N 0 3 319.449 2.376 20 30 DEEDHN CC1(C#N)CCC([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263517190 402776646 /nfs/dbraw/zinc/77/66/46/402776646.db2.gz PECUPYIBNCBLGO-UHFFFAOYSA-N 0 3 319.449 2.376 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](c2cccnc2)C(C)C)CC1 ZINC000175288866 402794665 /nfs/dbraw/zinc/79/46/65/402794665.db2.gz YLSIERVCEFSRPK-GOSISDBHSA-N 0 3 313.445 2.283 20 30 DEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(C)CC1 ZINC000184343178 402836602 /nfs/dbraw/zinc/83/66/02/402836602.db2.gz VEJNUAIVFGVVIB-LBPRGKRZSA-N 0 3 302.378 2.193 20 30 DEEDHN COC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@H]1CCCO1 ZINC000278797132 402872400 /nfs/dbraw/zinc/87/24/00/402872400.db2.gz MQHKNOOWOVSWRF-RRQGHBQHSA-N 0 3 304.390 2.434 20 30 DEEDHN COc1ccc(C)cc1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000271660278 402882005 /nfs/dbraw/zinc/88/20/05/402882005.db2.gz KVKBRNQKADZSCR-CQSZACIVSA-N 0 3 303.406 2.416 20 30 DEEDHN COCCN(CCC(=O)N(C)CCC#N)[C@H](C)c1ccccc1 ZINC000271624714 402882076 /nfs/dbraw/zinc/88/20/76/402882076.db2.gz XPXYIWXTLJUBQX-MRXNPFEDSA-N 0 3 317.433 2.458 20 30 DEEDHN C=C1CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000264497013 402883998 /nfs/dbraw/zinc/88/39/98/402883998.db2.gz UPOUECIVZYSOMO-UHFFFAOYSA-N 0 3 301.390 2.055 20 30 DEEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000265794403 402950383 /nfs/dbraw/zinc/95/03/83/402950383.db2.gz ORSGUGUIDGFKMS-MSOLQXFVSA-N 0 3 322.412 2.248 20 30 DEEDHN COC(=O)C1=C(C)O[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000272539532 402950708 /nfs/dbraw/zinc/95/07/08/402950708.db2.gz NINWFUDFEUDBDP-NHYWBVRUSA-N 0 3 300.358 2.445 20 30 DEEDHN C[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000272577125 402955276 /nfs/dbraw/zinc/95/52/76/402955276.db2.gz PCZWDHWOTBLEGL-KMFMINBZSA-N 0 3 313.401 2.211 20 30 DEEDHN Cc1nn(C)c(C)c1OCC(=O)NCCN1CCCC(C)(C)C1 ZINC000329915913 404493658 /nfs/dbraw/zinc/49/36/58/404493658.db2.gz QABVUQQVYDMLBH-UHFFFAOYSA-N 0 3 322.453 2.494 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](CCOC)c2ccc(C)o2)CC1 ZINC000272321903 402923332 /nfs/dbraw/zinc/92/33/32/402923332.db2.gz QJKXSNGBJTVLOQ-INIZCTEOSA-N 0 3 318.417 2.127 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000272348822 402926777 /nfs/dbraw/zinc/92/67/77/402926777.db2.gz QGGCWLYWXJRXLY-SFHVURJKSA-N 0 3 324.428 2.253 20 30 DEEDHN C[C@H](O)CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280472290 403002933 /nfs/dbraw/zinc/00/29/33/403002933.db2.gz UEOPPAGZWTXXAV-BBRMVZONSA-N 0 3 313.401 2.154 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC#N ZINC000273639482 403022197 /nfs/dbraw/zinc/02/21/97/403022197.db2.gz XWYOJIQXYSLVKM-WBVHZDCISA-N 0 3 314.433 2.500 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000280726448 403031032 /nfs/dbraw/zinc/03/10/32/403031032.db2.gz JZQYKLBGXUXSQC-UHFFFAOYSA-N 0 3 305.426 2.315 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3c(=O)o2)CC1 ZINC000280881308 403046420 /nfs/dbraw/zinc/04/64/20/403046420.db2.gz UJKLIEMTSNPMMG-UHFFFAOYSA-N 0 3 312.369 2.173 20 30 DEEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1nnc2ccccn21 ZINC000281189524 403060204 /nfs/dbraw/zinc/06/02/04/403060204.db2.gz BMPBDYIGXJDZEN-CQSZACIVSA-N 0 3 313.405 2.480 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C2(C)OCCO2)CC1 ZINC000268432969 403082736 /nfs/dbraw/zinc/08/27/36/403082736.db2.gz DNGVUNZYBMLPBK-OAHLLOKOSA-N 0 3 322.449 2.051 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CCCN(CC)CC1 ZINC000274805380 403089523 /nfs/dbraw/zinc/08/95/23/403089523.db2.gz AHBFYEOKDVSVIX-UHFFFAOYSA-N 0 3 301.390 2.258 20 30 DEEDHN C=C(C)CCN1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000274807270 403089867 /nfs/dbraw/zinc/08/98/67/403089867.db2.gz TWDSAUJXAUHPJG-UHFFFAOYSA-N 0 3 311.433 2.296 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000268640739 403101818 /nfs/dbraw/zinc/10/18/18/403101818.db2.gz MNFMUOKSKHCVSG-KRWDZBQOSA-N 0 3 320.408 2.301 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cccc(C#N)c3F)[C@@H]2C1 ZINC000566642816 292258080 /nfs/dbraw/zinc/25/80/80/292258080.db2.gz NMILXFMOLYGXFI-BBWFWOEESA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC000282103096 403122724 /nfs/dbraw/zinc/12/27/24/403122724.db2.gz WEJPKRXYEWTFEG-RDJZCZTQSA-N 0 3 302.393 2.477 20 30 DEEDHN COc1ccc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)cc1C#N ZINC000269731651 403161931 /nfs/dbraw/zinc/16/19/31/403161931.db2.gz YDVVXICDTMFTQO-AWEZNQCLSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)cc1C#N ZINC000269731651 403161932 /nfs/dbraw/zinc/16/19/32/403161932.db2.gz YDVVXICDTMFTQO-AWEZNQCLSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)cc1C#N ZINC000269731651 403161933 /nfs/dbraw/zinc/16/19/33/403161933.db2.gz YDVVXICDTMFTQO-AWEZNQCLSA-N 0 3 311.389 2.373 20 30 DEEDHN C#CCOc1ccccc1CNC1CCN(c2cc(C)[nH]n2)CC1 ZINC000275991042 403137913 /nfs/dbraw/zinc/13/79/13/403137913.db2.gz JRTNVWMONSSULB-UHFFFAOYSA-N 0 3 324.428 2.489 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccnnc1C)C(C)C ZINC000269898528 403173928 /nfs/dbraw/zinc/17/39/28/403173928.db2.gz GLPQHTOVBUPBHE-MRXNPFEDSA-N 0 3 302.422 2.213 20 30 DEEDHN Cc1cc(N2CCC(NCc3ccc(C#N)s3)CC2)n[nH]1 ZINC000276021474 403140029 /nfs/dbraw/zinc/14/00/29/403140029.db2.gz NIWFQRWYZSSTLA-UHFFFAOYSA-N 0 3 301.419 2.410 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCCS(=O)(=O)CCc2ccccc2)C1 ZINC000282467508 403154835 /nfs/dbraw/zinc/15/48/35/403154835.db2.gz LKGDOQIOUZQTSW-IAGOWNOFSA-N 0 3 320.458 2.316 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 ZINC000283749412 403220197 /nfs/dbraw/zinc/22/01/97/403220197.db2.gz KSBITCUNBDXQAR-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN COc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1C#N ZINC000271189044 403275529 /nfs/dbraw/zinc/27/55/29/403275529.db2.gz GFAMJYYBCIIYCZ-QGZVFWFLSA-N 0 3 314.360 2.399 20 30 DEEDHN CCOC1CC(CON=C(N)c2ccc(CN(C)C)cc2)C1 ZINC000285032503 403277369 /nfs/dbraw/zinc/27/73/69/403277369.db2.gz FMEMCYUKZULXAX-UHFFFAOYSA-N 0 3 305.422 2.200 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN([C@@H]3Cc4ccccc4[C@H]3O)C2)nc1 ZINC000292227333 403327833 /nfs/dbraw/zinc/32/78/33/403327833.db2.gz PJGSPIOEUATSJR-SZVBFZGTSA-N 0 3 321.380 2.065 20 30 DEEDHN N#CCCOCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000292666101 403373918 /nfs/dbraw/zinc/37/39/18/403373918.db2.gz ASVGNMNAUYRSLK-UHFFFAOYSA-N 0 3 319.380 2.406 20 30 DEEDHN N#CCCOCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000292686903 403374085 /nfs/dbraw/zinc/37/40/85/403374085.db2.gz CFFKNYRHVCDNJV-UHFFFAOYSA-N 0 3 316.405 2.203 20 30 DEEDHN C=CCC(F)(F)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000293113283 403391024 /nfs/dbraw/zinc/39/10/24/403391024.db2.gz HGFHAQGDUACGPB-UHFFFAOYSA-N 0 3 308.372 2.413 20 30 DEEDHN CC(C)[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCCO1 ZINC000293137928 403398018 /nfs/dbraw/zinc/39/80/18/403398018.db2.gz NHVITRPKUSPUSI-AEFFLSMTSA-N 0 3 318.417 2.045 20 30 DEEDHN CCCN(CCN1CCCC1)CC(=O)Nc1sccc1C#N ZINC000285956177 403418245 /nfs/dbraw/zinc/41/82/45/403418245.db2.gz MYLFSJLXWZONKS-UHFFFAOYSA-N 0 3 320.462 2.366 20 30 DEEDHN N#CCCN(C(=O)CN[C@@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000285980089 403423556 /nfs/dbraw/zinc/42/35/56/403423556.db2.gz FGRFNLJBMAONDE-NVXWUHKLSA-N 0 3 315.417 2.074 20 30 DEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000343044782 403442320 /nfs/dbraw/zinc/44/23/20/403442320.db2.gz YYEJHUMICGFJIW-NSHDSACASA-N 0 3 301.321 2.227 20 30 DEEDHN CN(CC#N)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000286068433 403442818 /nfs/dbraw/zinc/44/28/18/403442818.db2.gz SBXCHYMGNSTUJI-AWEZNQCLSA-N 0 3 307.344 2.126 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000343056746 403447431 /nfs/dbraw/zinc/44/74/31/403447431.db2.gz ZTEYYNQISRRVMG-HYVNUMGLSA-N 0 3 302.418 2.182 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1C#N ZINC000299111190 403524103 /nfs/dbraw/zinc/52/41/03/403524103.db2.gz YACVZEWHIHVJAF-CHWSQXEVSA-N 0 3 300.406 2.112 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)c3cc(C#N)ccc3Cl)C2)C1 ZINC000293650747 403528663 /nfs/dbraw/zinc/52/86/63/403528663.db2.gz GXQNEMMKVPNOJW-MRXNPFEDSA-N 0 3 303.793 2.379 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCc1cnn(C)c1)C(C)C ZINC000299131234 403529817 /nfs/dbraw/zinc/52/98/17/403529817.db2.gz MPURBCZVLYGTJH-KRWDZBQOSA-N 0 3 318.465 2.168 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(OC)c2C)CC1 ZINC000286502867 403532335 /nfs/dbraw/zinc/53/23/35/403532335.db2.gz WEHIBIHIGIHDOW-UHFFFAOYSA-N 0 3 318.417 2.392 20 30 DEEDHN COc1ccc([C@@H](O)C2CCN(CCOCCC#N)CC2)cc1 ZINC000293681899 403536626 /nfs/dbraw/zinc/53/66/26/403536626.db2.gz VRCLWYYKOCRCKV-GOSISDBHSA-N 0 3 318.417 2.371 20 30 DEEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000345814816 403494978 /nfs/dbraw/zinc/49/49/78/403494978.db2.gz HSVOBTOHTSZTAJ-DLBZAZTESA-N 0 3 315.417 2.373 20 30 DEEDHN C[C@H](CC(N)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000345854305 403510932 /nfs/dbraw/zinc/51/09/32/403510932.db2.gz MXRFOQVEUVYRMX-CQSZACIVSA-N 0 3 323.396 2.491 20 30 DEEDHN CCNc1nc(NC(C)(C)C)nc(N2CCC(C#N)CC2)n1 ZINC000286408538 403519887 /nfs/dbraw/zinc/51/98/87/403519887.db2.gz USXOOCAKBYRTIX-UHFFFAOYSA-N 0 3 303.414 2.254 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2CC2)cc1 ZINC000287122690 403554833 /nfs/dbraw/zinc/55/48/33/403554833.db2.gz KUFHICLCZYTHRW-LLVKDONJSA-N 0 3 321.402 2.246 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCCCO2)CC1 ZINC000346746964 403600912 /nfs/dbraw/zinc/60/09/12/403600912.db2.gz BLBANLXABAPYPC-GOEBONIOSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2c(F)cncc2F)CC1 ZINC000287456853 403602863 /nfs/dbraw/zinc/60/28/63/403602863.db2.gz OQBUAVJJSGLNPF-NSHDSACASA-N 0 3 324.375 2.370 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)NC1CCN(CC=C)CC1 ZINC000287478718 403607314 /nfs/dbraw/zinc/60/73/14/403607314.db2.gz CPRPAAHHICVQJX-UHFFFAOYSA-N 0 3 311.429 2.482 20 30 DEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCCCCC#N)cc1 ZINC000287474063 403606511 /nfs/dbraw/zinc/60/65/11/403606511.db2.gz RMYAMBICMRHFMV-MRXNPFEDSA-N 0 3 318.421 2.291 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000347042963 403613276 /nfs/dbraw/zinc/61/32/76/403613276.db2.gz WCCIXCKUICUWCK-LBPRGKRZSA-N 0 3 308.341 2.110 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000347092689 403614907 /nfs/dbraw/zinc/61/49/07/403614907.db2.gz APMTXHYQLVNLAV-RYUDHWBXSA-N 0 3 307.344 2.205 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(F)(F)c1ccccc1OCC ZINC000293969332 403611811 /nfs/dbraw/zinc/61/18/11/403611811.db2.gz LVWJSAOTLKGHBB-UHFFFAOYSA-N 0 3 324.371 2.248 20 30 DEEDHN C[C@H](C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000347030621 403611941 /nfs/dbraw/zinc/61/19/41/403611941.db2.gz CGLVTPUGMYVNDV-CYBMUJFWSA-N 0 3 303.431 2.376 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000294022287 403626221 /nfs/dbraw/zinc/62/62/21/403626221.db2.gz QOFSCPKUEVHEBX-UHFFFAOYSA-N 0 3 316.449 2.101 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccccc1OC(F)(F)F ZINC000294024462 403627394 /nfs/dbraw/zinc/62/73/94/403627394.db2.gz QWBYWYBYQXACRW-UHFFFAOYSA-N 0 3 314.307 2.270 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000294036342 403630750 /nfs/dbraw/zinc/63/07/50/403630750.db2.gz RXPGTDMNIFINBR-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN C=CCOCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000294042787 403632323 /nfs/dbraw/zinc/63/23/23/403632323.db2.gz IUTLBLFBKWIQHC-ZBFHGGJFSA-N 0 3 310.344 2.029 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(C)(C)O ZINC000343561814 403638771 /nfs/dbraw/zinc/63/87/71/403638771.db2.gz ZTESJWHPVVZVMV-UHFFFAOYSA-N 0 3 324.494 2.356 20 30 DEEDHN N#CCCOCCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000294081829 403642765 /nfs/dbraw/zinc/64/27/65/403642765.db2.gz LJDWVFOUNJEYBQ-UHFFFAOYSA-N 0 3 302.418 2.234 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000294258013 403686020 /nfs/dbraw/zinc/68/60/20/403686020.db2.gz UWFJSQWCBCDVRR-HOCLYGCPSA-N 0 3 324.783 2.038 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@](C)(O)[C@H](C)CC)CC1 ZINC000304020594 403762990 /nfs/dbraw/zinc/76/29/90/403762990.db2.gz DEGAJFRPYRYSTE-PBHICJAKSA-N 0 3 311.470 2.123 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N(CC)CCC#N)C12CCCC2 ZINC000450967392 286383311 /nfs/dbraw/zinc/38/33/11/286383311.db2.gz JBMMLLQWDODAAP-LSDHHAIUSA-N 0 3 307.438 2.076 20 30 DEEDHN N#Cc1ccc(CNCCN2C(=O)c3ccccc3C2=O)s1 ZINC000343806753 403741136 /nfs/dbraw/zinc/74/11/36/403741136.db2.gz KZYJRLOEFGRIRW-UHFFFAOYSA-N 0 3 311.366 2.006 20 30 DEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(OC)c(C#N)c1)C(C)C ZINC000295101616 403760098 /nfs/dbraw/zinc/76/00/98/403760098.db2.gz SXPXUSFELYFMCN-INIZCTEOSA-N 0 3 303.406 2.159 20 30 DEEDHN Cc1ccnn1-c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354467907 403817908 /nfs/dbraw/zinc/81/79/08/403817908.db2.gz OMIHUIJZVCJNNT-HNNXBMFYSA-N 0 3 303.325 2.461 20 30 DEEDHN CCCNC(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354474949 403824880 /nfs/dbraw/zinc/82/48/80/403824880.db2.gz XMAAZURYXDFUQF-AWEZNQCLSA-N 0 3 308.341 2.106 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCCc2cccc(C#N)c2)C1 ZINC000347619150 403778292 /nfs/dbraw/zinc/77/82/92/403778292.db2.gz AESYXADMRBGTKE-HNNXBMFYSA-N 0 3 314.433 2.132 20 30 DEEDHN COc1cccc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)c1 ZINC000347752384 403844590 /nfs/dbraw/zinc/84/45/90/403844590.db2.gz HTKSDBXGRJHLGO-NXEZZACHSA-N 0 3 300.318 2.082 20 30 DEEDHN C=CCOc1cccc(CN[C@@H]2CCOC[C@@H]2OCCOC)c1 ZINC000362530159 403962532 /nfs/dbraw/zinc/96/25/32/403962532.db2.gz VJLSPXKNFGONMN-MSOLQXFVSA-N 0 3 321.417 2.162 20 30 DEEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)C#N)cc1 ZINC000354615150 403906973 /nfs/dbraw/zinc/90/69/73/403906973.db2.gz SNUIZPNUBFMOQI-BBRMVZONSA-N 0 3 301.390 2.108 20 30 DEEDHN C=C[C@@H](CC(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000305718166 403918209 /nfs/dbraw/zinc/91/82/09/403918209.db2.gz VEQBGYAEFMDXBO-INIZCTEOSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCOCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000354744820 403982692 /nfs/dbraw/zinc/98/26/92/403982692.db2.gz TUFXTLOQPDGKGE-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(C)[C@H](C(C)C)C2)CC1 ZINC000362857789 403993777 /nfs/dbraw/zinc/99/37/77/403993777.db2.gz YAANRYIJVJLKPX-KRWDZBQOSA-N 0 3 322.497 2.009 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)OC[C@H]2C)CC1 ZINC000362851132 403995092 /nfs/dbraw/zinc/99/50/92/403995092.db2.gz DDFLXEORIHYXMQ-CQSZACIVSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(C2OCCO2)s1 ZINC000289873518 404005463 /nfs/dbraw/zinc/00/54/63/404005463.db2.gz WIFIMPBMSYBODS-BXUZGUMPSA-N 0 3 310.419 2.259 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337258702 403977278 /nfs/dbraw/zinc/97/72/78/403977278.db2.gz VEDYVNWBEKVMMV-CHWSQXEVSA-N 0 3 317.380 2.096 20 30 DEEDHN C[C@@H]1C[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000348412209 404065506 /nfs/dbraw/zinc/06/55/06/404065506.db2.gz QUMRMLATDBRWLI-COXVUDFISA-N 0 3 311.385 2.172 20 30 DEEDHN CN(Cc1ccc(CC#N)cc1)C(C)(C)CN1CCOCC1 ZINC000412086147 404122788 /nfs/dbraw/zinc/12/27/88/404122788.db2.gz BERLZQVLRYNMSP-UHFFFAOYSA-N 0 3 301.434 2.295 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](CO)[C@@H]1C ZINC000412095132 404129340 /nfs/dbraw/zinc/12/93/40/404129340.db2.gz SRYFXWUMTTYBOV-RYQLBKOJSA-N 0 3 319.445 2.248 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328756824 404143250 /nfs/dbraw/zinc/14/32/50/404143250.db2.gz UNVHZAIJWRLSRD-KWCYVHTRSA-N 0 3 320.437 2.014 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](C)(C(=O)OC)C1 ZINC000412104831 404136399 /nfs/dbraw/zinc/13/63/99/404136399.db2.gz OFKUKZDCZSNFMU-PBHICJAKSA-N 0 3 310.438 2.075 20 30 DEEDHN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)C2)[nH]n1 ZINC000328762396 404145364 /nfs/dbraw/zinc/14/53/64/404145364.db2.gz YRQHVTPNIPREDB-RBSFLKMASA-N 0 3 319.453 2.294 20 30 DEEDHN CCN(C)C(=O)[C@@H](NCCOc1cccc(C#N)c1)C(C)C ZINC000296377660 404221190 /nfs/dbraw/zinc/22/11/90/404221190.db2.gz RVMUSJNMWLMKTE-INIZCTEOSA-N 0 3 303.406 2.030 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000349418296 404161786 /nfs/dbraw/zinc/16/17/86/404161786.db2.gz VNSKIWRAJHREBQ-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329198317 404262678 /nfs/dbraw/zinc/26/26/78/404262678.db2.gz ANYHFMBPOGTGBT-OUCADQQQSA-N 0 3 310.442 2.118 20 30 DEEDHN CN(C)c1nccc(CNC(=O)[C@H]2CCCN2C2CCCC2)n1 ZINC000329223031 404269281 /nfs/dbraw/zinc/26/92/81/404269281.db2.gz XIUVQFBTKORJPC-OAHLLOKOSA-N 0 3 317.437 2.406 20 30 DEEDHN C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329398728 404326365 /nfs/dbraw/zinc/32/63/65/404326365.db2.gz YFHMCGIUKGFATE-ZIAGYGMSSA-N 0 3 307.438 2.218 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N2CCCC23CCN(C)CC3)s1 ZINC000329445691 404338802 /nfs/dbraw/zinc/33/88/02/404338802.db2.gz CKNXXPLLLJNSEY-NSHDSACASA-N 0 3 323.466 2.382 20 30 DEEDHN Cc1nnc([C@@H](C)NC(=O)N2CCCN(C(C)C)CC2)s1 ZINC000329445846 404339169 /nfs/dbraw/zinc/33/91/69/404339169.db2.gz BLIDQRUGSGZIEZ-LLVKDONJSA-N 0 3 311.455 2.238 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)CC3CCCC3)[C@H]2C1 ZINC000329462594 404343673 /nfs/dbraw/zinc/34/36/73/404343673.db2.gz TYNLITOFRPXEFN-CABCVRRESA-N 0 3 307.438 2.076 20 30 DEEDHN COC(=O)c1nc([C@@H]2CCCN2C(=O)C(C)C#N)sc1C ZINC000352402677 404345630 /nfs/dbraw/zinc/34/56/30/404345630.db2.gz WSWXEFZUSPLSBB-WPRPVWTQSA-N 0 3 307.375 2.061 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000355563247 404349219 /nfs/dbraw/zinc/34/92/19/404349219.db2.gz MDDBUGVIDYKHFI-GOSISDBHSA-N 0 3 317.433 2.084 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1C#N ZINC000364331005 404353843 /nfs/dbraw/zinc/35/38/43/404353843.db2.gz IZMVBXZZWCGHNE-MRXNPFEDSA-N 0 3 314.433 2.121 20 30 DEEDHN C=CC[C@@H]1N(CC(=O)N[C@@H](C(=O)OC)C(C)C)CCCC1(C)C ZINC000352368492 404321799 /nfs/dbraw/zinc/32/17/99/404321799.db2.gz IPKRAMANYREZAL-GOEBONIOSA-N 0 3 324.465 2.367 20 30 DEEDHN CCCN1CCC(CNC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000329563259 404376289 /nfs/dbraw/zinc/37/62/89/404376289.db2.gz GSQMZARCPDSMCM-AWEZNQCLSA-N 0 3 316.467 2.032 20 30 DEEDHN C[C@@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000412642671 404380415 /nfs/dbraw/zinc/38/04/15/404380415.db2.gz BJAAEBPYLJWXBB-UTJXIGIESA-N 0 3 311.385 2.170 20 30 DEEDHN CO[C@@](C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000291341137 404381935 /nfs/dbraw/zinc/38/19/35/404381935.db2.gz VGXWYSOWCLNQQQ-QAPCUYQASA-N 0 3 311.385 2.172 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)Cc3c(F)cccc3C#N)C2)C1 ZINC000356231186 404406185 /nfs/dbraw/zinc/40/61/85/404406185.db2.gz MWEFLNCWTVWLKZ-SFHVURJKSA-N 0 3 315.392 2.184 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2ccncc12 ZINC000356261254 404411677 /nfs/dbraw/zinc/41/16/77/404411677.db2.gz JBIIJINBZCJSAV-NSHDSACASA-N 0 3 316.324 2.106 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)c3cccc(F)c3C#N)C2)C1 ZINC000356277540 404419627 /nfs/dbraw/zinc/41/96/27/404419627.db2.gz INMDYWXOTFGBCK-QGZVFWFLSA-N 0 3 301.365 2.255 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)c1coc(C2CCOCC2)n1 ZINC000329959622 404506877 /nfs/dbraw/zinc/50/68/77/404506877.db2.gz NHYZWHZTFWYLBH-ZDUSSCGKSA-N 0 3 307.394 2.358 20 30 DEEDHN C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329748657 404439261 /nfs/dbraw/zinc/43/92/61/404439261.db2.gz GYEYQTAMMVKEOC-MXAVVETBSA-N 0 3 308.422 2.141 20 30 DEEDHN CS[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329750106 404439941 /nfs/dbraw/zinc/43/99/41/404439941.db2.gz UUUYZZAGVXDJIA-VXGBXAGGSA-N 0 3 308.451 2.399 20 30 DEEDHN CS[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329750106 404439950 /nfs/dbraw/zinc/43/99/50/404439950.db2.gz UUUYZZAGVXDJIA-VXGBXAGGSA-N 0 3 308.451 2.399 20 30 DEEDHN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC(=O)NC1CC1 ZINC000329807941 404457879 /nfs/dbraw/zinc/45/78/79/404457879.db2.gz LUVOVBBTORMUOC-ZNMIVQPWSA-N 0 3 323.437 2.425 20 30 DEEDHN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)C2)c1 ZINC000329810830 404459028 /nfs/dbraw/zinc/45/90/28/404459028.db2.gz QZALLRWGDPBZIB-ARFHVFGLSA-N 0 3 319.453 2.225 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000329820832 404461997 /nfs/dbraw/zinc/46/19/97/404461997.db2.gz YKBDMPCPESMROC-ABFRBSLYSA-N 0 3 323.481 2.424 20 30 DEEDHN O=C(NCCc1cn2c(n1)CCCC2)[C@@H]1CCCN1C1CC1 ZINC000330204613 404583970 /nfs/dbraw/zinc/58/39/70/404583970.db2.gz BUNHQXHOGCOGJU-HNNXBMFYSA-N 0 3 302.422 2.345 20 30 DEEDHN CN1CCC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1=O ZINC000330054969 404540396 /nfs/dbraw/zinc/54/03/96/404540396.db2.gz SWCUQUCMNLBZAG-MRXNPFEDSA-N 0 3 315.417 2.208 20 30 DEEDHN CC(C(=O)NC(C1CC1)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000330083154 404546214 /nfs/dbraw/zinc/54/62/14/404546214.db2.gz HHFXWRDQJPQOTM-JTQLQIEISA-N 0 3 315.435 2.114 20 30 DEEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C(C)(C)C#N)C1 ZINC000364976209 404549941 /nfs/dbraw/zinc/54/99/41/404549941.db2.gz ZADLQHNEURCZKG-UHFFFAOYSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(CC)C[C@@H]1C ZINC000352699364 404557097 /nfs/dbraw/zinc/55/70/97/404557097.db2.gz QKGGRYHQEFKHGQ-FUHWJXTLSA-N 0 3 318.461 2.181 20 30 DEEDHN O=C(Nc1nccn1-c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000330283165 404615533 /nfs/dbraw/zinc/61/55/33/404615533.db2.gz WAMGTOKWEBUHRG-INIZCTEOSA-N 0 3 323.400 2.364 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000356626227 404627126 /nfs/dbraw/zinc/62/71/26/404627126.db2.gz RPEHVCSMNVDIQS-IRXDYDNUSA-N 0 3 319.493 2.217 20 30 DEEDHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000330337894 404629931 /nfs/dbraw/zinc/62/99/31/404629931.db2.gz UPDQZEXODQFWMX-ARFHVFGLSA-N 0 3 311.470 2.426 20 30 DEEDHN C[C@@H]1CN(C2CCN(Cc3cccc(C#N)c3F)CC2)CCO1 ZINC000352888814 404682035 /nfs/dbraw/zinc/68/20/35/404682035.db2.gz VZFCOJOQCZTJHJ-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000330558721 404688094 /nfs/dbraw/zinc/68/80/94/404688094.db2.gz ICTNHMMFKRPYCQ-QWHCGFSZSA-N 0 3 320.462 2.363 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CC2)C(F)(F)F)CC1 ZINC000352908710 404689307 /nfs/dbraw/zinc/68/93/07/404689307.db2.gz ICAJGIFYKMPAFJ-LBPRGKRZSA-N 0 3 305.344 2.277 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCc1ccncc1OCCN(C)C ZINC000345304943 404667117 /nfs/dbraw/zinc/66/71/17/404667117.db2.gz WPCNNYWFTIHLNG-AWEZNQCLSA-N 0 3 305.422 2.241 20 30 DEEDHN C=CCCOCCN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000358360388 404760366 /nfs/dbraw/zinc/76/03/66/404760366.db2.gz AJTFAFZCPGHXSI-ZDUSSCGKSA-N 0 3 312.435 2.301 20 30 DEEDHN C=C[C@@H](CO)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000358468979 404763374 /nfs/dbraw/zinc/76/33/74/404763374.db2.gz RENQHSDWBWMEIU-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=C[C@H](CO)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000358468980 404763642 /nfs/dbraw/zinc/76/36/42/404763642.db2.gz RENQHSDWBWMEIU-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)CN(C)C ZINC000358519628 404764883 /nfs/dbraw/zinc/76/48/83/404764883.db2.gz MGZLANOJRBNHOS-CQSZACIVSA-N 0 3 305.422 2.343 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)C#N ZINC000358620085 404769402 /nfs/dbraw/zinc/76/94/02/404769402.db2.gz WCEYSPAECZAYRX-UHFFFAOYSA-N 0 3 320.412 2.449 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H](COC(F)F)C2)c1 ZINC000353025219 404723980 /nfs/dbraw/zinc/72/39/80/404723980.db2.gz RACGLXUHFUZTCF-CYBMUJFWSA-N 0 3 323.343 2.448 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)c(F)c1 ZINC000365823857 404726932 /nfs/dbraw/zinc/72/69/32/404726932.db2.gz WVAPIVSNJFLZSN-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1c(F)cccc1C#N ZINC000353236679 404778291 /nfs/dbraw/zinc/77/82/91/404778291.db2.gz UHDSBAVXZVCBJT-MLGOLLRUSA-N 0 3 303.381 2.038 20 30 DEEDHN CO[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366339513 404787144 /nfs/dbraw/zinc/78/71/44/404787144.db2.gz LDHMLOCHFZNYLV-DLBZAZTESA-N 0 3 311.385 2.268 20 30 DEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415047572 404795659 /nfs/dbraw/zinc/79/56/59/404795659.db2.gz BGHOBZIGELDIQX-SMDDNHRTSA-N 0 3 302.378 2.101 20 30 DEEDHN CSCC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)N(C)C ZINC000353648416 404901216 /nfs/dbraw/zinc/90/12/16/404901216.db2.gz AGELAELKGFSGQH-HZPDHXFCSA-N 0 3 317.458 2.345 20 30 DEEDHN C=CCC[C@H](NCCNC(=O)c1cnccn1)c1ccco1 ZINC000353493359 404846895 /nfs/dbraw/zinc/84/68/95/404846895.db2.gz SVYXIAQZGWFVKM-ZDUSSCGKSA-N 0 3 300.362 2.097 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC000361084395 404910515 /nfs/dbraw/zinc/91/05/15/404910515.db2.gz AODXDSLHHBFCOE-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000434646924 404917994 /nfs/dbraw/zinc/91/79/94/404917994.db2.gz RMLPXUFVRVKMIT-AWEZNQCLSA-N 0 3 301.390 2.284 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CCN1C ZINC000353728541 404943636 /nfs/dbraw/zinc/94/36/36/404943636.db2.gz WLTSCTUZPHLAQD-CJNGLKHVSA-N 0 3 312.417 2.329 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435031155 404951492 /nfs/dbraw/zinc/95/14/92/404951492.db2.gz YTTNMFVOAJWRCE-INIZCTEOSA-N 0 3 311.429 2.390 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000424087894 405001521 /nfs/dbraw/zinc/00/15/21/405001521.db2.gz SHFVVZWWCKGWTE-HUUCEWRRSA-N 0 3 303.431 2.324 20 30 DEEDHN Cc1ccc(OCCCCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424093467 405003219 /nfs/dbraw/zinc/00/32/19/405003219.db2.gz SBDRDLCEEDDXOS-MRXNPFEDSA-N 0 3 303.406 2.291 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000424098884 405006129 /nfs/dbraw/zinc/00/61/29/405006129.db2.gz HWFBZBPGJNIJKD-IXDOHACOSA-N 0 3 315.417 2.292 20 30 DEEDHN CO[C@@]1(C)C[C@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000451481657 405008495 /nfs/dbraw/zinc/00/84/95/405008495.db2.gz BDVTYKPOKKWINB-BBRMVZONSA-N 0 3 307.438 2.122 20 30 DEEDHN CCCOc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424105843 405008984 /nfs/dbraw/zinc/00/89/84/405008984.db2.gz WVMSYDBPNDCIMW-AWEZNQCLSA-N 0 3 319.405 2.121 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)[C@H](N)CCCC#N)c(Cl)c1 ZINC000424113864 405010137 /nfs/dbraw/zinc/01/01/37/405010137.db2.gz OYRXEQHRXVNLEC-GFCCVEGCSA-N 0 3 308.769 2.258 20 30 DEEDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](N)CCCC#N)[C@H](C)CO1 ZINC000424116487 405011852 /nfs/dbraw/zinc/01/18/52/405011852.db2.gz BUTKYFXWZLJKIS-OIISXLGYSA-N 0 3 315.417 2.305 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC(OCCO)CC2)c1 ZINC000354033477 405012327 /nfs/dbraw/zinc/01/23/27/405012327.db2.gz LXAZCSUBRBSODV-UHFFFAOYSA-N 0 3 318.417 2.342 20 30 DEEDHN COc1cc(F)c([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424135178 405018567 /nfs/dbraw/zinc/01/85/67/405018567.db2.gz JAGOTMFKFJODLY-GWCFXTLKSA-N 0 3 323.368 2.041 20 30 DEEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1C(=O)NC(C)C ZINC000424145632 405021393 /nfs/dbraw/zinc/02/13/93/405021393.db2.gz VHDPJFYTTRJMHQ-OAHLLOKOSA-N 0 3 316.405 2.093 20 30 DEEDHN COC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424167682 405028063 /nfs/dbraw/zinc/02/80/63/405028063.db2.gz HIRHKSAQCJSCKE-UONOGXRCSA-N 0 3 309.797 2.165 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000424173181 405029333 /nfs/dbraw/zinc/02/93/33/405029333.db2.gz NTTQBKOSVWDYKG-ZNMIVQPWSA-N 0 3 321.808 2.307 20 30 DEEDHN COc1cccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424059817 404988621 /nfs/dbraw/zinc/98/86/21/404988621.db2.gz BWYDAWNIWCKTGL-HZPDHXFCSA-N 0 3 301.390 2.380 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000424062966 404989846 /nfs/dbraw/zinc/98/98/46/404989846.db2.gz IFNSIIMYSBPHBY-GFCCVEGCSA-N 0 3 315.295 2.223 20 30 DEEDHN CCOc1ccc(OCC)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424070447 404994244 /nfs/dbraw/zinc/99/42/44/404994244.db2.gz XTNDXBZGHUGWPP-CYBMUJFWSA-N 0 3 305.378 2.444 20 30 DEEDHN COc1cc(OC)c(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424077056 404996411 /nfs/dbraw/zinc/99/64/11/404996411.db2.gz NFNSYLIEVVGHQI-SNVBAGLBSA-N 0 3 311.769 2.317 20 30 DEEDHN CC1(C)Cc2nc(NC(=O)[C@@H](N)CCCC#N)sc2C(=O)C1 ZINC000424076671 404996614 /nfs/dbraw/zinc/99/66/14/404996614.db2.gz MOGHEXVXBAUBNN-VIFPVBQESA-N 0 3 320.418 2.258 20 30 DEEDHN CC(C)NC(=O)Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424078642 404998745 /nfs/dbraw/zinc/99/87/45/404998745.db2.gz DWTRSYRVEZDRGS-CQSZACIVSA-N 0 3 317.393 2.176 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2cc(Br)ccc21 ZINC000424083043 405000000 /nfs/dbraw/zinc/00/00/00/405000000.db2.gz MWZKMPVRBIWJNX-GFCCVEGCSA-N 0 3 322.206 2.359 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000367416327 405043340 /nfs/dbraw/zinc/04/33/40/405043340.db2.gz UYXIUPHZXQNRKP-DLBZAZTESA-N 0 3 321.465 2.380 20 30 DEEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nccn1C ZINC000367642275 405111727 /nfs/dbraw/zinc/11/17/27/405111727.db2.gz FMGICQBBFRSMIK-ZDUSSCGKSA-N 0 3 310.405 2.006 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044108 405139065 /nfs/dbraw/zinc/13/90/65/405139065.db2.gz HVXZLPPIPFPREN-XLKGFZLASA-N 0 3 303.450 2.363 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044106 405139223 /nfs/dbraw/zinc/13/92/23/405139223.db2.gz HVXZLPPIPFPREN-KCYAQADSSA-N 0 3 303.450 2.363 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044107 405139349 /nfs/dbraw/zinc/13/93/49/405139349.db2.gz HVXZLPPIPFPREN-ULQWZQFMSA-N 0 3 303.450 2.363 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CCOCC1 ZINC000424653603 405139641 /nfs/dbraw/zinc/13/96/41/405139641.db2.gz SSRVVIUHUNMTJA-HNNXBMFYSA-N 0 3 306.450 2.492 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H](n3cccn3)C2)c1 ZINC000361590158 405149004 /nfs/dbraw/zinc/14/90/04/405149004.db2.gz SRQMFXKGKARHCG-INIZCTEOSA-N 0 3 309.373 2.030 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)CNc1ccc(C#N)cc1 ZINC000354403416 405196872 /nfs/dbraw/zinc/19/68/72/405196872.db2.gz PGKVQDJANATZJJ-KRWDZBQOSA-N 0 3 314.433 2.351 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000437504083 405202840 /nfs/dbraw/zinc/20/28/40/405202840.db2.gz TVDRXYSFFVGYMH-SJORKVTESA-N 0 3 302.418 2.459 20 30 DEEDHN C=CCOc1cccc(CN2CCC3(CNC(=O)N3C)CC2)c1 ZINC000425368031 405281331 /nfs/dbraw/zinc/28/13/31/405281331.db2.gz DDEJXNPMVVLTGX-UHFFFAOYSA-N 0 3 315.417 2.241 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000438058316 405229373 /nfs/dbraw/zinc/22/93/73/405229373.db2.gz RLSXZWDUMSIMPO-CABCVRRESA-N 0 3 309.454 2.093 20 30 DEEDHN N#Cc1cc(Br)ccc1C(=O)NCCN1CCCC1 ZINC000448603394 405425618 /nfs/dbraw/zinc/42/56/18/405425618.db2.gz DXXPVVFBXTYHSG-UHFFFAOYSA-N 0 3 322.206 2.146 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000448702917 405438651 /nfs/dbraw/zinc/43/86/51/405438651.db2.gz WKZDJNIXFBNCRO-KSZLIROESA-N 0 3 314.429 2.358 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000448815913 405451742 /nfs/dbraw/zinc/45/17/42/405451742.db2.gz JUHPVWKJDZOFNJ-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN Cn1cc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)cc1C#N ZINC000421368055 405476501 /nfs/dbraw/zinc/47/65/01/405476501.db2.gz FRVUMBXINOAFHM-SFHVURJKSA-N 0 3 313.376 2.215 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(F)F ZINC000556758212 405523732 /nfs/dbraw/zinc/52/37/32/405523732.db2.gz NWACODVWJSVKAK-UHFFFAOYSA-N 0 3 324.375 2.287 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc1 ZINC000580461645 405622546 /nfs/dbraw/zinc/62/25/46/405622546.db2.gz BCDQNFYZJUQVIN-AWEZNQCLSA-N 0 3 308.389 2.328 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc1 ZINC000580461645 405622554 /nfs/dbraw/zinc/62/25/54/405622554.db2.gz BCDQNFYZJUQVIN-AWEZNQCLSA-N 0 3 308.389 2.328 20 30 DEEDHN COCCN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[C@@H](C)C1 ZINC000580552080 405641705 /nfs/dbraw/zinc/64/17/05/405641705.db2.gz OUEFWOWIMDAOQP-CZUORRHYSA-N 0 3 313.405 2.238 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000457082813 405688516 /nfs/dbraw/zinc/68/85/16/405688516.db2.gz FBOLYZXWIDMVQV-GFCCVEGCSA-N 0 3 306.797 2.161 20 30 DEEDHN C=CCC[C@@H](CO)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000449700493 405699946 /nfs/dbraw/zinc/69/99/46/405699946.db2.gz SZFFKBNVTMQXFH-KRWDZBQOSA-N 0 3 303.381 2.487 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000459049704 405715373 /nfs/dbraw/zinc/71/53/73/405715373.db2.gz WCNVBEJBLWACMY-ZACQAIPSSA-N 0 3 321.465 2.380 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000559048447 405717629 /nfs/dbraw/zinc/71/76/29/405717629.db2.gz BNNUUXBMLKSWSA-KBPBESRZSA-N 0 3 300.406 2.254 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](CO)[C@@H]1C)C(C)C ZINC000494671475 405743921 /nfs/dbraw/zinc/74/39/21/405743921.db2.gz DANJUSPYFDEBEV-GVDBMIGSSA-N 0 3 323.481 2.097 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000530322466 405781169 /nfs/dbraw/zinc/78/11/69/405781169.db2.gz GKWOIFJPFKOHPG-KRWDZBQOSA-N 0 3 319.493 2.360 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2scc(C)c2C#N)C[C@H]1N(C)C ZINC000568764991 292366393 /nfs/dbraw/zinc/36/63/93/292366393.db2.gz YUHDZIACWGOXSL-NEPJUHHUSA-N 0 3 324.475 2.438 20 30 DEEDHN Cc1cccc(O[C@H](C)CNCc2cnc3c(C#N)cnn3c2)c1 ZINC000583995157 405803572 /nfs/dbraw/zinc/80/35/72/405803572.db2.gz OARZVLBCNULUTB-CQSZACIVSA-N 0 3 321.384 2.467 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)CC#N)C[C@@H](C)C1 ZINC000459240548 405814320 /nfs/dbraw/zinc/81/43/20/405814320.db2.gz QGGOLIYAPRWTNR-KKUMJFAQSA-N 0 3 306.454 2.298 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000568832133 292369348 /nfs/dbraw/zinc/36/93/48/292369348.db2.gz JASAJJNGEYOUBU-XOKHGSTOSA-N 0 3 312.417 2.054 20 30 DEEDHN C=CCOc1cccc(CN2CCC3(COC(=O)N3)CC2)c1 ZINC000495266004 405858509 /nfs/dbraw/zinc/85/85/09/405858509.db2.gz QGRHMXQMOWFGMB-UHFFFAOYSA-N 0 3 302.374 2.326 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000495589297 405924713 /nfs/dbraw/zinc/92/47/13/405924713.db2.gz OXIAAGHZYGNGKL-MGPQQGTHSA-N 0 3 311.426 2.150 20 30 DEEDHN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433350261 405930560 /nfs/dbraw/zinc/93/05/60/405930560.db2.gz BIQYDUBENIAGBO-HNNXBMFYSA-N 0 3 308.447 2.477 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000495721545 405932022 /nfs/dbraw/zinc/93/20/22/405932022.db2.gz QTQIYEPXXSDCDH-KGLIPLIRSA-N 0 3 311.426 2.246 20 30 DEEDHN CC[C@@](NC(=O)C(C#N)CCc1ccccc1)(C(N)=O)C(C)C ZINC000433363169 405933938 /nfs/dbraw/zinc/93/39/38/405933938.db2.gz GWJCJAYNKWOVHA-QAPCUYQASA-N 0 3 315.417 2.165 20 30 DEEDHN C=CC1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433466400 405950260 /nfs/dbraw/zinc/95/02/60/405950260.db2.gz MNEIHZWCRMHXSZ-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C#N)cn1)C1CC1 ZINC000496175178 405956216 /nfs/dbraw/zinc/95/62/16/405956216.db2.gz YMEZTJVHMWGCKB-HNNXBMFYSA-N 0 3 316.405 2.346 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCCN(C)[C@H]2C)cc1 ZINC000450560021 405956253 /nfs/dbraw/zinc/95/62/53/405956253.db2.gz YERORWXDSADQBC-YOEHRIQHSA-N 0 3 302.418 2.393 20 30 DEEDHN COc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000433221311 405903915 /nfs/dbraw/zinc/90/39/15/405903915.db2.gz OYGATDYQQSCLJW-MRXNPFEDSA-N 0 3 309.369 2.479 20 30 DEEDHN CC(C)(O)CN(Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC000531177352 405920877 /nfs/dbraw/zinc/92/08/77/405920877.db2.gz HYMVACRHUVVRHO-UHFFFAOYSA-N 0 3 306.381 2.449 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC1(C)COC1)C(C)C ZINC000636573682 406014002 /nfs/dbraw/zinc/01/40/02/406014002.db2.gz DAKPFKBLFFCSPT-MRXNPFEDSA-N 0 3 323.481 2.363 20 30 DEEDHN CCNS(=O)(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000459645216 405995190 /nfs/dbraw/zinc/99/51/90/405995190.db2.gz KYXFMEVKNKJXQZ-UKRRQHHQSA-N 0 3 321.446 2.157 20 30 DEEDHN CCCCO[C@H]1C[C@@H](NCC(=O)NC2(C#N)CCC2)C1(C)C ZINC000450972359 406006675 /nfs/dbraw/zinc/00/66/75/406006675.db2.gz QSHWSCGEIMKNOW-KGLIPLIRSA-N 0 3 307.438 2.122 20 30 DEEDHN Cc1cc(CN(C)C[C@@H]2CNc3c(C#N)cnn3C2)ccc1F ZINC000514603502 406054068 /nfs/dbraw/zinc/05/40/68/406054068.db2.gz NTFFBADDRNBPAM-AWEZNQCLSA-N 0 3 313.380 2.376 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000460084739 406079293 /nfs/dbraw/zinc/07/92/93/406079293.db2.gz WARPAZBVQGYMNP-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CNc1cccc(C#N)c1 ZINC000479611182 406170133 /nfs/dbraw/zinc/17/01/33/406170133.db2.gz CENKBMBWBJJICA-AWEZNQCLSA-N 0 3 314.433 2.159 20 30 DEEDHN C[C@H](c1ccccc1)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC000517390232 406125744 /nfs/dbraw/zinc/12/57/44/406125744.db2.gz DFJXPYBXMDASPK-CQSZACIVSA-N 0 3 307.401 2.408 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)c2ccc(C#N)s2)CC1 ZINC000487777167 406261853 /nfs/dbraw/zinc/26/18/53/406261853.db2.gz AWLXFICIIPFICO-UHFFFAOYSA-N 0 3 321.446 2.239 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C#N)CC1 ZINC000521132501 406333087 /nfs/dbraw/zinc/33/30/87/406333087.db2.gz JSCLTNHDKSURGX-CQSZACIVSA-N 0 3 300.406 2.110 20 30 DEEDHN COCCN(CCOc1ccc(C#N)cc1)[C@H]1CCO[C@H]1C ZINC000489500233 406413098 /nfs/dbraw/zinc/41/30/98/406413098.db2.gz RTLFSBAPRMCKGE-YOEHRIQHSA-N 0 3 304.390 2.063 20 30 DEEDHN C#CCN([C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000490651126 406478762 /nfs/dbraw/zinc/47/87/62/406478762.db2.gz QAQVLNHGEIPCQX-ZDUSSCGKSA-N 0 3 302.340 2.418 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2cccc(OC)c2)CC1 ZINC000490668619 406480878 /nfs/dbraw/zinc/48/08/78/406480878.db2.gz AUZQIGVCVAOMJD-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](CC(F)(F)F)C(C)C)CC1 ZINC000490717369 406485887 /nfs/dbraw/zinc/48/58/87/406485887.db2.gz CTZFWKRWZQHSLT-CYBMUJFWSA-N 0 3 304.356 2.425 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570763599 406435661 /nfs/dbraw/zinc/43/56/61/406435661.db2.gz AMLZOWLELUSSCM-INMHGKMJSA-N 0 3 318.442 2.491 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)s1 ZINC000571430111 406520967 /nfs/dbraw/zinc/52/09/67/406520967.db2.gz WAILKEYNRLMHFH-CYBMUJFWSA-N 0 3 318.446 2.390 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000491068120 406523653 /nfs/dbraw/zinc/52/36/53/406523653.db2.gz MPGJFPKUWJWVQV-UHFFFAOYSA-N 0 3 314.429 2.435 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)c2cccc(CN(C)C)c2)n1 ZINC000491451004 406595038 /nfs/dbraw/zinc/59/50/38/406595038.db2.gz CYZGTPGPJNDCCC-UHFFFAOYSA-N 0 3 324.428 2.240 20 30 DEEDHN C#C[C@@H](CC)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000491554096 406619941 /nfs/dbraw/zinc/61/99/41/406619941.db2.gz GGKWVLRTESOIMO-KRWDZBQOSA-N 0 3 313.445 2.035 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(C)c(OC)c2)CC1 ZINC000491566517 406624335 /nfs/dbraw/zinc/62/43/35/406624335.db2.gz HCJMBBNLFSKVLM-UHFFFAOYSA-N 0 3 314.429 2.107 20 30 DEEDHN C=CCN1CCC(NC(=O)c2sc3ncccc3c2N)CC1 ZINC000635530844 406576602 /nfs/dbraw/zinc/57/66/02/406576602.db2.gz KWDMTMXXOSNPEO-UHFFFAOYSA-N 0 3 316.430 2.259 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635531596 406577105 /nfs/dbraw/zinc/57/71/05/406577105.db2.gz USZLRNSEUWSBRQ-QGZVFWFLSA-N 0 3 305.466 2.160 20 30 DEEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)C(C)C ZINC000491394979 406583980 /nfs/dbraw/zinc/58/39/80/406583980.db2.gz PLLVFJYNUYTWQI-QGZVFWFLSA-N 0 3 301.434 2.418 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000491669685 406660245 /nfs/dbraw/zinc/66/02/45/406660245.db2.gz YCAGQHLNFOQBHT-HNNXBMFYSA-N 0 3 312.417 2.216 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(OC)cc(OC)c2C)CC1 ZINC000491668791 406660504 /nfs/dbraw/zinc/66/05/04/406660504.db2.gz WLJLPFBKEKISOV-UHFFFAOYSA-N 0 3 316.401 2.296 20 30 DEEDHN C#C[C@H](CCC)NC(=O)NCc1ccccc1OCCN(C)C ZINC000491674546 406663376 /nfs/dbraw/zinc/66/33/76/406663376.db2.gz SDMMMMNLUPSDJD-MRXNPFEDSA-N 0 3 317.433 2.228 20 30 DEEDHN C#C[C@H](NC(=O)NCC1(N(C)C)CCC1)c1ccc(F)cc1 ZINC000491706056 406680191 /nfs/dbraw/zinc/68/01/91/406680191.db2.gz JRRPNOKVFUANFG-HNNXBMFYSA-N 0 3 303.381 2.284 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1oc2ccc(OC)cc2c1C ZINC000491745340 406698919 /nfs/dbraw/zinc/69/89/19/406698919.db2.gz KBIMBWRUVAEYGS-UHFFFAOYSA-N 0 3 314.385 2.435 20 30 DEEDHN C#C[C@@H](NC(=O)C(=C)CN(C)C)c1ccc(Br)cc1 ZINC000491751332 406701468 /nfs/dbraw/zinc/70/14/68/406701468.db2.gz XVCSJAGMUNLYMY-CQSZACIVSA-N 0 3 321.218 2.357 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(/C)c1ccc(OC)cc1 ZINC000491643005 406647480 /nfs/dbraw/zinc/64/74/80/406647480.db2.gz CRAQSKANIRABER-PFONDFGASA-N 0 3 300.402 2.170 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000572814265 406741810 /nfs/dbraw/zinc/74/18/10/406741810.db2.gz UTKHRUOMYGMRQZ-JJXSEGSLSA-N 0 3 309.454 2.140 20 30 DEEDHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000491891442 406767468 /nfs/dbraw/zinc/76/74/68/406767468.db2.gz ZDYABFNSTVXFTJ-PXTSUWAFSA-N 0 3 313.401 2.155 20 30 DEEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491784856 406718912 /nfs/dbraw/zinc/71/89/12/406718912.db2.gz QGVSEJKPTURNSN-CHWSQXEVSA-N 0 3 304.390 2.422 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000491927448 406779898 /nfs/dbraw/zinc/77/98/98/406779898.db2.gz UKFVARKZNBEHMO-TWGQIWQCSA-N 0 3 300.377 2.443 20 30 DEEDHN O[C@H](CNCC#Cc1ccccc1)COCc1cccs1 ZINC000576272125 406829782 /nfs/dbraw/zinc/82/97/82/406829782.db2.gz REVXXDBVMFDENX-MRXNPFEDSA-N 0 3 301.411 2.267 20 30 DEEDHN C=CCn1c(SC[C@H](O)CN(C)CC)nnc1-c1ccco1 ZINC000577291879 406836024 /nfs/dbraw/zinc/83/60/24/406836024.db2.gz HKWWFUDZNABALN-GFCCVEGCSA-N 0 3 322.434 2.129 20 30 DEEDHN N#Cc1cccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c1F ZINC000555759036 406853292 /nfs/dbraw/zinc/85/32/92/406853292.db2.gz DVNXYBDZBMASMN-IRXDYDNUSA-N 0 3 304.365 2.107 20 30 DEEDHN CC#CC[C@H](CO)NCc1cn(-c2ccccc2F)nc1C ZINC000641767647 406887740 /nfs/dbraw/zinc/88/77/40/406887740.db2.gz NJTXSZITGVXZQZ-OAHLLOKOSA-N 0 3 301.365 2.184 20 30 DEEDHN CC#CC[C@@H](CO)NCc1ccc(F)c(Br)c1 ZINC000641769342 406888561 /nfs/dbraw/zinc/88/85/61/406888561.db2.gz TUXGZULTACWTQK-NSHDSACASA-N 0 3 300.171 2.452 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000555459556 406844276 /nfs/dbraw/zinc/84/42/76/406844276.db2.gz ZPCQPBULBCBDIW-UMVBOHGHSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCCCS(=O)(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000644191528 407102802 /nfs/dbraw/zinc/10/28/02/407102802.db2.gz QBJHUBJGJGBTIG-AWEZNQCLSA-N 0 3 324.446 2.112 20 30 DEEDHN CCO[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000128947684 196005972 /nfs/dbraw/zinc/00/59/72/196005972.db2.gz RQUMWSUKXDHIKJ-OAHLLOKOSA-N 0 3 301.390 2.388 20 30 DEEDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000131954332 196213219 /nfs/dbraw/zinc/21/32/19/196213219.db2.gz BDVBTNOJZWWIRE-IAGOWNOFSA-N 0 3 310.401 2.237 20 30 DEEDHN COc1ccc(CNCC2(O)CCC2)cc1OCCCC#N ZINC000237334036 225211287 /nfs/dbraw/zinc/21/12/87/225211287.db2.gz NMDLEXVAUBCWOL-UHFFFAOYSA-N 0 3 304.390 2.382 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)O)C1 ZINC000330703507 226024353 /nfs/dbraw/zinc/02/43/53/226024353.db2.gz KYRCCXLGEAVCPO-UKRRQHHQSA-N 0 3 305.422 2.096 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2CC3(C2)CCCC3)cc1 ZINC000372497855 227092790 /nfs/dbraw/zinc/09/27/90/227092790.db2.gz VEONVWLLVCOSPT-INIZCTEOSA-N 0 3 300.402 2.368 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000291013842 222072662 /nfs/dbraw/zinc/07/26/62/222072662.db2.gz NJYFTFPZJZTXPJ-RHSMWYFYSA-N 0 3 317.433 2.058 20 30 DEEDHN CN(C(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1)C1(C#N)CCCCC1 ZINC000374597752 227136308 /nfs/dbraw/zinc/13/63/08/227136308.db2.gz UWKVPDZCVAVYNQ-SJORKVTESA-N 0 3 319.449 2.218 20 30 DEEDHN COc1cc(NC(=O)N[C@H](C)CC#N)ccc1OCCN(C)C ZINC000417679160 229067093 /nfs/dbraw/zinc/06/70/93/229067093.db2.gz HGCKRNKSSBWIKQ-GFCCVEGCSA-N 0 3 320.393 2.059 20 30 DEEDHN Cc1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc1C#N ZINC000302638072 230325590 /nfs/dbraw/zinc/32/55/90/230325590.db2.gz KRUPIMWUWLMANF-IAGOWNOFSA-N 0 3 322.412 2.309 20 30 DEEDHN Cc1nc(NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488078043 421069415 /nfs/dbraw/zinc/06/94/15/421069415.db2.gz HUZHUVORIZANFR-LJQANCHMSA-N 0 3 322.412 2.311 20 30 DEEDHN C#C[C@H](CCC)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000491418278 421197924 /nfs/dbraw/zinc/19/79/24/421197924.db2.gz QKHBQGXFCYSZSY-CYBMUJFWSA-N 0 3 303.410 2.073 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2sccc2C#N)C12CCC2 ZINC000296251411 266301936 /nfs/dbraw/zinc/30/19/36/266301936.db2.gz NUJUYSQDHNRCGE-OLZOCXBDSA-N 0 3 319.430 2.496 20 30 DEEDHN Cc1ccccc1CN1CCC(Nc2ccc(C#N)c(N)n2)CC1 ZINC000570653446 424928814 /nfs/dbraw/zinc/92/88/14/424928814.db2.gz WAOVMXKKIIELOL-UHFFFAOYSA-N 0 3 321.428 2.920 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(COC)ccn2)CC1 ZINC000650509285 425008480 /nfs/dbraw/zinc/00/84/80/425008480.db2.gz QUELPJPJVVZZJB-UHFFFAOYSA-N 0 3 318.421 2.390 20 30 DEEDHN Cc1cc(NC(=O)CCN(C)[C@H](C)c2cccc(C#N)c2)no1 ZINC000425542000 424998115 /nfs/dbraw/zinc/99/81/15/424998115.db2.gz XMCVZKNYFHDYGU-CYBMUJFWSA-N 0 3 312.373 2.876 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC000596085888 425017387 /nfs/dbraw/zinc/01/73/87/425017387.db2.gz NDZJFNRPWXIWRH-HNNXBMFYSA-N 0 3 313.380 2.765 20 30 DEEDHN N#Cc1cnnc(NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000596104733 425018095 /nfs/dbraw/zinc/01/80/95/425018095.db2.gz XLXJEGLXIWYZAE-CYBMUJFWSA-N 0 3 313.430 2.734 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)OC[C@@H]2CC)CC1 ZINC000650852822 425067085 /nfs/dbraw/zinc/06/70/85/425067085.db2.gz SKHMDDRWBSJGBS-HOTGVXAUSA-N 0 3 309.454 2.236 20 30 DEEDHN CCC#C[C@@H](C)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000649922564 425102934 /nfs/dbraw/zinc/10/29/34/425102934.db2.gz PWJCJSOHGVGKPI-NVXWUHKLSA-N 0 3 301.434 2.418 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000651725751 425144821 /nfs/dbraw/zinc/14/48/21/425144821.db2.gz NSJQANDAVAIKQL-NYTXWWLZSA-N 0 3 302.422 2.248 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000651725750 425144856 /nfs/dbraw/zinc/14/48/56/425144856.db2.gz NSJQANDAVAIKQL-KNCOVGOOSA-N 0 3 302.422 2.248 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C(C)(C)CC)CC1 ZINC000653809405 425232279 /nfs/dbraw/zinc/23/22/79/425232279.db2.gz WMTUXFXJWQFWKZ-INIZCTEOSA-N 0 3 307.482 2.382 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCCN(C)CCOC ZINC000660828497 425248249 /nfs/dbraw/zinc/24/82/49/425248249.db2.gz ZNGZTBFYVWCQKZ-HZPDHXFCSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCN(C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@H](C)COC ZINC000663849631 425250737 /nfs/dbraw/zinc/25/07/37/425250737.db2.gz UEMPJBPTLKPYSX-HZPDHXFCSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000661131981 425331234 /nfs/dbraw/zinc/33/12/34/425331234.db2.gz YJYPPZILUHQRIA-INIZCTEOSA-N 0 3 322.497 2.010 20 30 DEEDHN C[C@H](C[C@H]1CCCO1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349530911 267166901 /nfs/dbraw/zinc/16/69/01/267166901.db2.gz WUBNCHGURFAXPJ-KBRIMQKVSA-N 0 3 311.385 2.314 20 30 DEEDHN C=CCN(CCC(=O)N1CCc2ccccc2C1)[C@@H](C)COC ZINC000661239631 425359172 /nfs/dbraw/zinc/35/91/72/425359172.db2.gz HVPMUEAVIYQWPG-INIZCTEOSA-N 0 3 316.445 2.484 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654553747 425379684 /nfs/dbraw/zinc/37/96/84/425379684.db2.gz CMKGGAOLCRZWJV-CVEARBPZSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661565692 425444263 /nfs/dbraw/zinc/44/42/63/425444263.db2.gz RBQNLEUWTTZYME-UHFFFAOYSA-N 0 3 302.422 2.169 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661879900 425519150 /nfs/dbraw/zinc/51/91/50/425519150.db2.gz FQKPVAJQIRMDFO-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCC[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655295226 425529060 /nfs/dbraw/zinc/52/90/60/425529060.db2.gz CBGQTJZEARJFMT-KSZLIROESA-N 0 3 314.429 2.014 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN1CCCO ZINC000665386260 425559807 /nfs/dbraw/zinc/55/98/07/425559807.db2.gz SOTNVEOPYIXYKK-BRWVUGGUSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)N[C@H](CN)C(F)(F)F ZINC000655915030 425684136 /nfs/dbraw/zinc/68/41/36/425684136.db2.gz QFMZSBFCEGTPLS-CYBMUJFWSA-N 0 3 315.339 2.316 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000359919961 268149900 /nfs/dbraw/zinc/14/99/00/268149900.db2.gz XDGQQNJFWUBMNC-ZDUSSCGKSA-N 0 3 307.269 2.107 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccccc1C#N ZINC000270800504 268701419 /nfs/dbraw/zinc/70/14/19/268701419.db2.gz CICKDVQSYNFAGR-CQSZACIVSA-N 0 3 315.417 2.126 20 30 DEEDHN N#Cc1nccnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000517361122 269383699 /nfs/dbraw/zinc/38/36/99/269383699.db2.gz FHBHIYXBERPMBZ-DOTOQJQBSA-N 0 3 305.385 2.059 20 30 DEEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)CCN1CC(C)(C)O ZINC000189906395 274345796 /nfs/dbraw/zinc/34/57/96/274345796.db2.gz VFMHCGFXNMXYEY-OAHLLOKOSA-N 0 3 320.864 2.469 20 30 DEEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000415306169 274633293 /nfs/dbraw/zinc/63/32/93/274633293.db2.gz HXNLFAOVQYBCHQ-RNCFNFMXSA-N 0 3 322.796 2.446 20 30 DEEDHN C#CC[C@H](NC(=O)NCCN(C)CCCOC)c1ccccc1 ZINC000270469025 275385225 /nfs/dbraw/zinc/38/52/25/275385225.db2.gz VBSSEANBXJEVIB-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459457019 276241398 /nfs/dbraw/zinc/24/13/98/276241398.db2.gz IFJNUTMUSXVHDG-BETUJISGSA-N 0 3 302.378 2.381 20 30 DEEDHN CC[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N(C)C ZINC000163652932 276540671 /nfs/dbraw/zinc/54/06/71/276540671.db2.gz PUTYSZWKQNVOPW-QGZVFWFLSA-N 0 3 315.417 2.268 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000356530534 277771838 /nfs/dbraw/zinc/77/18/38/277771838.db2.gz QGKNCCGTUFWGSD-GJZGRUSLSA-N 0 3 322.449 2.075 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CCC1 ZINC000364506373 277824610 /nfs/dbraw/zinc/82/46/10/277824610.db2.gz HVZGCDUFVQCXBT-QGZVFWFLSA-N 0 3 319.493 2.360 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000348523330 277848229 /nfs/dbraw/zinc/84/82/29/277848229.db2.gz CZFWKSUCOHQKEN-FUTJPDQTSA-N 0 3 317.380 2.179 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(CCO)C1CCC1)C(C)C ZINC000276113699 277850145 /nfs/dbraw/zinc/85/01/45/277850145.db2.gz LYIIMUNEZZSCNS-QGZVFWFLSA-N 0 3 323.481 2.241 20 30 DEEDHN CS[C@H]1CN(C(=O)C#Cc2ccccc2)C[C@H]1N1CCCC1 ZINC000275228845 278163386 /nfs/dbraw/zinc/16/33/86/278163386.db2.gz DRXSBOBYGDDCGG-SJORKVTESA-N 0 3 314.454 2.076 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1Cc1ccccc1 ZINC000288357383 279090456 /nfs/dbraw/zinc/09/04/56/279090456.db2.gz UESOUVYPIXBQNA-HIFRSBDPSA-N 0 3 303.431 2.022 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000352895636 279223323 /nfs/dbraw/zinc/22/33/23/279223323.db2.gz DWVNDIFWXKYMOI-BZUAXINKSA-N 0 3 309.454 2.010 20 30 DEEDHN CCN(Cc1ccc(C(=O)N2CCOC[C@H]2C#N)cc1)C1CC1 ZINC000329808631 279234704 /nfs/dbraw/zinc/23/47/04/279234704.db2.gz LZSOVCMMHIPEMT-QGZVFWFLSA-N 0 3 313.401 2.035 20 30 DEEDHN CN(C(=O)CN[C@]1(C)CCO[C@@H]1C1CC1)C1(C#N)CCCCC1 ZINC000374597750 281744801 /nfs/dbraw/zinc/74/48/01/281744801.db2.gz UWKVPDZCVAVYNQ-IAGOWNOFSA-N 0 3 319.449 2.218 20 30 DEEDHN COc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1C#N ZINC000135116764 282062961 /nfs/dbraw/zinc/06/29/61/282062961.db2.gz PBVDNPAQIQGKGV-HNNXBMFYSA-N 0 3 310.401 2.365 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488748313 297306134 /nfs/dbraw/zinc/30/61/34/297306134.db2.gz GTTOOUAWNLATBI-SCRDCRAPSA-N 0 3 315.377 2.028 20 30 DEEDHN CC(C)C(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001368915012 1148767100 /nfs/dbraw/zinc/76/71/00/1148767100.db2.gz YRRBZJKFXIHIMX-UHFFFAOYSA-N 0 3 303.381 2.338 20 30 DEEDHN CS(=O)(=O)Cc1ccccc1CNCc1ccc(C#N)cc1 ZINC000174992940 325742518 /nfs/dbraw/zinc/74/25/18/325742518.db2.gz UXBIUAHYXBBXDC-UHFFFAOYSA-N 0 3 314.410 2.393 20 30 DEEDHN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@H](N)CCCC#N ZINC000564913691 331970375 /nfs/dbraw/zinc/97/03/75/331970375.db2.gz UBUKKQCSHWDASX-SNVBAGLBSA-N 0 3 305.769 2.186 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC3CC3)nc2)CC1 ZINC000518496040 332066368 /nfs/dbraw/zinc/06/63/68/332066368.db2.gz FNGHSHWOEQXJID-UHFFFAOYSA-N 0 3 314.433 2.426 20 30 DEEDHN C=CCN(Cc1ccccc1F)C(=O)CNC[C@H]1CCCO1 ZINC000152805705 332329281 /nfs/dbraw/zinc/32/92/81/332329281.db2.gz YDPALRKOCJNVDW-OAHLLOKOSA-N 0 3 306.381 2.109 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nn(C)c3ccccc32)CC1 ZINC000528449823 332683516 /nfs/dbraw/zinc/68/35/16/332683516.db2.gz RDAGFOYZJGSCOW-UHFFFAOYSA-N 0 3 312.417 2.344 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000569902127 332690933 /nfs/dbraw/zinc/69/09/33/332690933.db2.gz PMSYEDQIBKZFPJ-UKRRQHHQSA-N 0 3 317.437 2.229 20 30 DEEDHN C[C@@H](C#N)CNC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000188396023 333045590 /nfs/dbraw/zinc/04/55/90/333045590.db2.gz SVEJHUOAHFMYGW-HSBZDZAISA-N 0 3 311.385 2.343 20 30 DEEDHN CN1CCC(NN=C2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000497189658 333219693 /nfs/dbraw/zinc/21/96/93/333219693.db2.gz IOLJJJFWYOXKSN-CYBMUJFWSA-N 0 3 324.469 2.351 20 30 DEEDHN CN(c1cc(C#N)ncn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388355988 333280314 /nfs/dbraw/zinc/28/03/14/333280314.db2.gz KXNJJMBRGQLTJN-KRWDZBQOSA-N 0 3 307.401 2.449 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2cscn2)CC1 ZINC000119734037 334285679 /nfs/dbraw/zinc/28/56/79/334285679.db2.gz LXZVUOBJJYBKLG-UHFFFAOYSA-N 0 3 308.451 2.025 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC)[C@@H]1CCOC(C)(C)C1 ZINC000351949599 336182371 /nfs/dbraw/zinc/18/23/71/336182371.db2.gz QQQDNRSPXWPPFD-LSDHHAIUSA-N 0 3 309.454 2.274 20 30 DEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351949642 336182378 /nfs/dbraw/zinc/18/23/78/336182378.db2.gz RBAOGTVQGHUXLB-PBHICJAKSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCCCS(=O)(=O)[N-]c1cc(C[NH+](C)C)ccc1OC ZINC000580392588 336264115 /nfs/dbraw/zinc/26/41/15/336264115.db2.gz PKZGQQBXUBELOG-UHFFFAOYSA-N 0 3 312.435 2.465 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000174372265 337140303 /nfs/dbraw/zinc/14/03/03/337140303.db2.gz OAVNZSTWXUGBJL-ZDUSSCGKSA-N 0 3 319.405 2.005 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000174372265 337140304 /nfs/dbraw/zinc/14/03/04/337140304.db2.gz OAVNZSTWXUGBJL-ZDUSSCGKSA-N 0 3 319.405 2.005 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000583031898 337231321 /nfs/dbraw/zinc/23/13/21/337231321.db2.gz BBFIGLZCAQTEFJ-AUUYWEPGSA-N 0 3 320.396 2.433 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000583743146 337328216 /nfs/dbraw/zinc/32/82/16/337328216.db2.gz MLNJNZIHHCFWRU-CVEARBPZSA-N 0 3 313.401 2.148 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000424166665 337789696 /nfs/dbraw/zinc/78/96/96/337789696.db2.gz BAFMXZYPAPCSEO-KBPBESRZSA-N 0 3 305.353 2.177 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1CCO)C(C)C ZINC000429941618 338092453 /nfs/dbraw/zinc/09/24/53/338092453.db2.gz KQNFEQIMVOSVBS-IAGOWNOFSA-N 0 3 323.481 2.241 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001376290015 1159317617 /nfs/dbraw/zinc/31/76/17/1159317617.db2.gz GSJCHQMJPNSUAP-HNNXBMFYSA-N 0 3 315.889 2.251 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000496435785 340005399 /nfs/dbraw/zinc/00/53/99/340005399.db2.gz JZBISLXOOAXECE-AAEUAGOBSA-N 0 3 309.410 2.346 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496595476 340008438 /nfs/dbraw/zinc/00/84/38/340008438.db2.gz KTQBABQHAKHLRV-MGPQQGTHSA-N 0 3 311.426 2.293 20 30 DEEDHN CC(C#N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496632813 340009347 /nfs/dbraw/zinc/00/93/47/340009347.db2.gz NMIORKVPNSOLNO-YPMHNXCESA-N 0 3 307.394 2.146 20 30 DEEDHN CCOC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000496731421 340011563 /nfs/dbraw/zinc/01/15/63/340011563.db2.gz SSDGCWUSFISKGQ-ZDUSSCGKSA-N 0 3 304.350 2.215 20 30 DEEDHN C#CCN1CCC(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000194053472 340588476 /nfs/dbraw/zinc/58/84/76/340588476.db2.gz MBTHAVZSJDCNGM-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCSCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000542817810 341021971 /nfs/dbraw/zinc/02/19/71/341021971.db2.gz YYCUQBUTQUPGIR-INIZCTEOSA-N 0 3 319.474 2.329 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000248462148 341378372 /nfs/dbraw/zinc/37/83/72/341378372.db2.gz XZDKPOPQIJAJJB-IJEWVQPXSA-N 0 3 300.406 2.108 20 30 DEEDHN C[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)C(F)(F)F ZINC000565534229 341530392 /nfs/dbraw/zinc/53/03/92/341530392.db2.gz CFXBVJGMGQQPCG-DGCLKSJQSA-N 0 3 316.323 2.280 20 30 DEEDHN COc1ccc([C@H](N[C@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000192963616 341900008 /nfs/dbraw/zinc/90/00/08/341900008.db2.gz QEIIPDVZPRFULR-CXAGYDPISA-N 0 3 315.417 2.496 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(CC(C)C)c2CC)CC1 ZINC000178887873 341969698 /nfs/dbraw/zinc/96/96/98/341969698.db2.gz HKWKAODVKZNPLD-UHFFFAOYSA-N 0 3 318.465 2.482 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCc1ccc(Cl)cc1OC ZINC001378246783 1152249681 /nfs/dbraw/zinc/24/96/81/1152249681.db2.gz LFVSSGPBYOBRLF-FZMZJTMJSA-N 0 3 323.824 2.493 20 30 DEEDHN O=C(CCNCC#C[C@H]1CCCCO1)Nc1ccccc1F ZINC001357260305 1152277426 /nfs/dbraw/zinc/27/74/26/1152277426.db2.gz LAVSTPQPTPWUCZ-CQSZACIVSA-N 0 3 304.365 2.316 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001397151208 1160021317 /nfs/dbraw/zinc/02/13/17/1160021317.db2.gz LRQPJXINGQHJOT-BJJXKVORSA-N 0 3 314.857 2.165 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001378398627 1152317063 /nfs/dbraw/zinc/31/70/63/1152317063.db2.gz KMDDMLURMILOMS-ZBEGNZNMSA-N 0 3 324.856 2.215 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cn(CC)cn1)C1CC1 ZINC001378422328 1152323567 /nfs/dbraw/zinc/32/35/67/1152323567.db2.gz XGCPAISLGNSRAF-HNNXBMFYSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)COc1ccccc1F ZINC001377524846 1160493492 /nfs/dbraw/zinc/49/34/92/1160493492.db2.gz RAXPUMGZGYHCOQ-LBPRGKRZSA-N 0 3 314.788 2.441 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001329876783 1149008170 /nfs/dbraw/zinc/00/81/70/1149008170.db2.gz UCDUMEAOVGMURO-BDXSIMOUSA-N 0 3 320.477 2.337 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)[C@H]1C ZINC001089063286 782144206 /nfs/dbraw/zinc/14/42/06/782144206.db2.gz WFLPYQXZAUAOLU-YPMHNXCESA-N 0 3 315.373 2.302 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001330060585 1149043832 /nfs/dbraw/zinc/04/38/32/1149043832.db2.gz LFCAFQIAJCTDJZ-CRAIPNDOSA-N 0 3 313.445 2.281 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccccn2)C1 ZINC001369584007 1149051863 /nfs/dbraw/zinc/05/18/63/1149051863.db2.gz OUARIPXKMVVJFP-UHFFFAOYSA-N 0 3 307.825 2.346 20 30 DEEDHN C=CCCC(=O)N1CC[C@]2(C1)CN(CC1CCCC1)CCO2 ZINC001330146783 1149053707 /nfs/dbraw/zinc/05/37/07/1149053707.db2.gz ATMIVAGSLIRHDX-GOSISDBHSA-N 0 3 306.450 2.446 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(COC)CCCC2)C(C)(C)C1 ZINC001330202318 1149067685 /nfs/dbraw/zinc/06/76/85/1149067685.db2.gz IANLRKWHHAIPIV-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378743996 1152432753 /nfs/dbraw/zinc/43/27/53/1152432753.db2.gz PBKOQQCLCKBIET-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN COc1cc(CN(C)CCCNC(=O)C2CCC2)ccc1C#N ZINC000443062738 533782458 /nfs/dbraw/zinc/78/24/58/533782458.db2.gz BPPQIFJNQUPMRG-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCC#Cc2cccc(F)c2)CN1C1CC1 ZINC000338039430 533923803 /nfs/dbraw/zinc/92/38/03/533923803.db2.gz BTYIIHSWTIKXMJ-CJNGLKHVSA-N 0 3 315.392 2.102 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001444108606 1183283561 /nfs/dbraw/zinc/28/35/61/1183283561.db2.gz KWGMPCSGJPFGKU-ZFWWWQNUSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC#Cc2cccc(F)c2)CCN1C ZINC000338728840 534094030 /nfs/dbraw/zinc/09/40/30/534094030.db2.gz UXMVIMWNFUKXMV-YOEHRIQHSA-N 0 3 317.408 2.301 20 30 DEEDHN COC(=O)C[C@H](C)N(OC)C(=O)C(C#N)CCc1ccccc1 ZINC001120851467 782160082 /nfs/dbraw/zinc/16/00/82/782160082.db2.gz HUKNYMYAKPYOOA-ZFWWWQNUSA-N 0 3 318.373 2.101 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001448321037 1185161532 /nfs/dbraw/zinc/16/15/32/1185161532.db2.gz QJZYFCDSQXNHLO-CYBMUJFWSA-N 0 3 315.889 2.153 20 30 DEEDHN Cc1noc(C)c1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000330606962 534317067 /nfs/dbraw/zinc/31/70/67/534317067.db2.gz OMDKIVBSANLVLZ-UHFFFAOYSA-N 0 3 308.426 2.012 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1sccc1C#N ZINC000107262604 521752328 /nfs/dbraw/zinc/75/23/28/521752328.db2.gz RFJVDRPNYSSRRQ-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000451611470 534607166 /nfs/dbraw/zinc/60/71/66/534607166.db2.gz WZZKYBVLGXEBBC-KSZLIROESA-N 0 3 316.445 2.476 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000451611471 534607934 /nfs/dbraw/zinc/60/79/34/534607934.db2.gz WZZKYBVLGXEBBC-KURKYZTESA-N 0 3 316.445 2.476 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000451607352 534610019 /nfs/dbraw/zinc/61/00/19/534610019.db2.gz PQUVLXXCAWCBLP-NFAWXSAZSA-N 0 3 306.793 2.378 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000451604558 534610053 /nfs/dbraw/zinc/61/00/53/534610053.db2.gz HMKAUOQBWWBWCJ-KFWWJZLASA-N 0 3 306.793 2.378 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000453322865 534611308 /nfs/dbraw/zinc/61/13/08/534611308.db2.gz ABUZOUKKRHGGSO-DFBGVHRSSA-N 0 3 310.419 2.052 20 30 DEEDHN N#CCOc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000269962005 534693959 /nfs/dbraw/zinc/69/39/59/534693959.db2.gz MHVAOEJSSYAEGW-UHFFFAOYSA-N 0 3 311.389 2.093 20 30 DEEDHN N#Cc1ccnc(N2CCCN(CCCc3ccccc3)CC2)n1 ZINC000295622072 534821860 /nfs/dbraw/zinc/82/18/60/534821860.db2.gz WKXUGULCVSWKOW-UHFFFAOYSA-N 0 3 321.428 2.493 20 30 DEEDHN C=CCN(CCOC)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000191077546 526300763 /nfs/dbraw/zinc/30/07/63/526300763.db2.gz UAANLKRQYSGFIT-CQSZACIVSA-N 0 3 304.390 2.042 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)OCC2CC2)CC1 ZINC000413246922 526432389 /nfs/dbraw/zinc/43/23/89/526432389.db2.gz USNGASWJKDFCFD-UHFFFAOYSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CC[C@H](N2CCCC[C@H]2[C@H](O)c2ccccc2)C1=O ZINC000368538791 526507482 /nfs/dbraw/zinc/50/74/82/526507482.db2.gz MTTLGRXLCNNGLM-OKZBNKHCSA-N 0 3 314.429 2.361 20 30 DEEDHN CC(=O)N1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000330894405 526525527 /nfs/dbraw/zinc/52/55/27/526525527.db2.gz FGCHZTCHFXLRDM-UHFFFAOYSA-N 0 3 303.406 2.064 20 30 DEEDHN CC(C)(C)OC(=O)[C@]12CCC[C@@H]1CN(CCOCCC#N)C2 ZINC000339157598 526527100 /nfs/dbraw/zinc/52/71/00/526527100.db2.gz LJQBVMYHNZBZQT-PBHICJAKSA-N 0 3 308.422 2.360 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CCO)CCCCC)CC1 ZINC000112453765 526583691 /nfs/dbraw/zinc/58/36/91/526583691.db2.gz RGSSMHHPVHRVRQ-UHFFFAOYSA-N 0 3 311.470 2.221 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)CC2CCCC2)CC1 ZINC000338043840 526593604 /nfs/dbraw/zinc/59/36/04/526593604.db2.gz UJKNKISXBUGQJE-KRWDZBQOSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000193185750 526604998 /nfs/dbraw/zinc/60/49/98/526604998.db2.gz KICRPINXMHIDOH-IUODEOHRSA-N 0 3 301.390 2.128 20 30 DEEDHN N#Cc1cccc(OCCN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000156366759 526727843 /nfs/dbraw/zinc/72/78/43/526727843.db2.gz NLSBRIGVUKQRQO-GOSISDBHSA-N 0 3 309.369 2.485 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000294485347 526985551 /nfs/dbraw/zinc/98/55/51/526985551.db2.gz HLPKBNGSSZIDDQ-ZDUSSCGKSA-N 0 3 318.392 2.405 20 30 DEEDHN C=CC[C@H](CO)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341264230 527186049 /nfs/dbraw/zinc/18/60/49/527186049.db2.gz HDYJPOVLGAWPBO-JTQLQIEISA-N 0 3 316.304 2.470 20 30 DEEDHN C=CCn1c(CC(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC000337803603 527311345 /nfs/dbraw/zinc/31/13/45/527311345.db2.gz GBKOJXWGWSLGNZ-UHFFFAOYSA-N 0 3 305.470 2.441 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc2n(n1)CCC2)C(C)C ZINC000294894784 527647187 /nfs/dbraw/zinc/64/71/87/527647187.db2.gz GHTRQSIBIPINTD-KRWDZBQOSA-N 0 3 316.449 2.258 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc(C)nn1C)C(C)C ZINC000422082303 527648563 /nfs/dbraw/zinc/64/85/63/527648563.db2.gz FFJBEZLJLJFQDH-QGZVFWFLSA-N 0 3 318.465 2.086 20 30 DEEDHN CCCCC(N)=NOCC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000121096192 528019025 /nfs/dbraw/zinc/01/90/25/528019025.db2.gz DEUMWTYMTQVHJJ-UHFFFAOYSA-N 0 3 309.366 2.080 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C1 ZINC000330926912 529092509 /nfs/dbraw/zinc/09/25/09/529092509.db2.gz JJTIWBWBBAFZKV-IJEWVQPXSA-N 0 3 317.433 2.225 20 30 DEEDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccccc1C#N)N(C)C ZINC000188209863 535145889 /nfs/dbraw/zinc/14/58/89/535145889.db2.gz PBLUTKSVICTXNW-HNNXBMFYSA-N 0 3 323.462 2.203 20 30 DEEDHN CN(C)Cc1ccccc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000362839168 536044334 /nfs/dbraw/zinc/04/43/34/536044334.db2.gz DHSBAZZFSBAGCA-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN CN1CCC2(CCCN2C(=O)COc2ccc(C#N)cc2)CC1 ZINC000371311847 536348349 /nfs/dbraw/zinc/34/83/49/536348349.db2.gz ZXKWRWAHPZQGCE-UHFFFAOYSA-N 0 3 313.401 2.024 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCN(C)C[C@H]1C(C)C ZINC000348554321 536883242 /nfs/dbraw/zinc/88/32/42/536883242.db2.gz RDLAFYRSGRJYCU-INIZCTEOSA-N 0 3 317.433 2.218 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NCc1cc(C#N)ccc1F ZINC001378970498 1152512671 /nfs/dbraw/zinc/51/26/71/1152512671.db2.gz UDNOIRVOPJGUDD-WBMJQRKESA-N 0 3 316.380 2.087 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1nc(C)c[nH]1 ZINC001369742838 1149131939 /nfs/dbraw/zinc/13/19/39/1149131939.db2.gz FLUPWHMVTGXTHS-STQMWFEESA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC1(O)CCC1 ZINC001369744753 1149135181 /nfs/dbraw/zinc/13/51/81/1149135181.db2.gz FBKVNIIOAMXVEO-ZIAGYGMSSA-N 0 3 314.857 2.403 20 30 DEEDHN C#CCN(CC)c1nnc(C)n1C[C@H](c1ccccc1)N(C)C ZINC001359001315 1152536907 /nfs/dbraw/zinc/53/69/07/1152536907.db2.gz QGZPRKZIMILLLX-QGZVFWFLSA-N 0 3 311.433 2.349 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001327607262 1148597466 /nfs/dbraw/zinc/59/74/66/1148597466.db2.gz MMPIBYXSMDNRHG-RBUKOAKNSA-N 0 3 318.461 2.089 20 30 DEEDHN C=CCCCC(=O)NC1(CNCc2cnoc2C)CCOCC1 ZINC001327656085 1148609987 /nfs/dbraw/zinc/60/99/87/1148609987.db2.gz KFDWYIZZYHKJHC-UHFFFAOYSA-N 0 3 321.421 2.094 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001369756766 1149148050 /nfs/dbraw/zinc/14/80/50/1149148050.db2.gz VQYXKLJREFGPTA-GXTWGEPZSA-N 0 3 308.813 2.202 20 30 DEEDHN C[C@H](CN(C)C(=O)Cc1ccco1)NCc1ccc(C#N)s1 ZINC001379273076 1152600395 /nfs/dbraw/zinc/60/03/95/1152600395.db2.gz WOEXISFQNUUGEX-GFCCVEGCSA-N 0 3 317.414 2.392 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001368781629 1148654813 /nfs/dbraw/zinc/65/48/13/1148654813.db2.gz ZXZFAAKTAIOHIW-OAHLLOKOSA-N 0 3 314.857 2.336 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001379654603 1152665691 /nfs/dbraw/zinc/66/56/91/1152665691.db2.gz JNAXSVVFQLPOQZ-KGLIPLIRSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001380165980 1152760361 /nfs/dbraw/zinc/76/03/61/1152760361.db2.gz BOACKAPILNDZFT-NFOMZHRRSA-N 0 3 324.856 2.474 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ncc(Cl)s2)C1 ZINC001023487399 625294998 /nfs/dbraw/zinc/29/49/98/625294998.db2.gz HNJYKWFVVKVJGU-LLVKDONJSA-N 0 3 311.838 2.262 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](CNC(=O)c3cnco3)C2)c1 ZINC001023516308 625306457 /nfs/dbraw/zinc/30/64/57/625306457.db2.gz QAGIAUFBUMTPEM-MRXNPFEDSA-N 0 3 324.384 2.188 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H]2CC[C@@H](NCc3cnns3)[C@@H]2C1 ZINC001026332149 625312136 /nfs/dbraw/zinc/31/21/36/625312136.db2.gz IQAPHADVHNQFQX-IACUBPJLSA-N 0 3 320.462 2.077 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C#C)cn1 ZINC001025289682 625329061 /nfs/dbraw/zinc/32/90/61/625329061.db2.gz RMARAEDSRWJZFJ-RTBURBONSA-N 0 3 321.424 2.155 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ocnc2C(F)F)C1 ZINC001023591532 625337484 /nfs/dbraw/zinc/33/74/84/625337484.db2.gz CQFLBKCMGJADHK-LLVKDONJSA-N 0 3 311.332 2.077 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001008172520 625368970 /nfs/dbraw/zinc/36/89/70/625368970.db2.gz VVKHCMXUYOGNSA-ZIAGYGMSSA-N 0 3 319.405 2.296 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2oc(CCC)nc2C)C1 ZINC001023701179 625391504 /nfs/dbraw/zinc/39/15/04/625391504.db2.gz PAMZFTFUYHGIAJ-OAHLLOKOSA-N 0 3 317.433 2.401 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000930762081 625414960 /nfs/dbraw/zinc/41/49/60/625414960.db2.gz ZZONQDPRCFCIAU-FRRDWIJNSA-N 0 3 302.378 2.192 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(OC)ns2)C1 ZINC001025423376 625421951 /nfs/dbraw/zinc/42/19/51/625421951.db2.gz RPFWHZSLZUBIRO-QWHCGFSZSA-N 0 3 321.446 2.005 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccn(C(F)F)n2)C1 ZINC001025429576 625427851 /nfs/dbraw/zinc/42/78/51/625427851.db2.gz VHASJSMMAOEZSU-QWHCGFSZSA-N 0 3 324.375 2.132 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccnn2CCC)C1 ZINC001025430761 625430249 /nfs/dbraw/zinc/43/02/49/625430249.db2.gz HYAMHUXRPNSRHP-HZPDHXFCSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001023771783 625432137 /nfs/dbraw/zinc/43/21/37/625432137.db2.gz UOHXCRGKLPFHAZ-FHLIZLRMSA-N 0 3 314.404 2.391 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001025449675 625445254 /nfs/dbraw/zinc/44/52/54/625445254.db2.gz XAOWUYQKBINVIG-UKRRQHHQSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccncc2CC)C1 ZINC001025462206 625456181 /nfs/dbraw/zinc/45/61/81/625456181.db2.gz BGNQKOQMSSJOQH-NVXWUHKLSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]nc2CCC)C1 ZINC001025466063 625458648 /nfs/dbraw/zinc/45/86/48/625458648.db2.gz ZSXPDKOURCWOLX-HUUCEWRRSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(COC)c2)C1 ZINC001025474165 625466235 /nfs/dbraw/zinc/46/62/35/625466235.db2.gz IXHGXMMJMBDDMY-QAPCUYQASA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001025474499 625467313 /nfs/dbraw/zinc/46/73/13/625467313.db2.gz LGBQANLUYZQINK-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001023895363 625470242 /nfs/dbraw/zinc/47/02/42/625470242.db2.gz NMOLQSVPGMINTE-HUUCEWRRSA-N 0 3 310.401 2.046 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](CNCc2c(F)cccc2F)C1 ZINC001023893534 625471957 /nfs/dbraw/zinc/47/19/57/625471957.db2.gz QZYMEYDOANWRNI-CHWSQXEVSA-N 0 3 321.371 2.453 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001025482619 625474341 /nfs/dbraw/zinc/47/43/41/625474341.db2.gz QBTWSLPBXCHYLN-CJNGLKHVSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3ncccc3o2)C1 ZINC001025484452 625475818 /nfs/dbraw/zinc/47/58/18/625475818.db2.gz DQSYFUMKIQGHCW-KBPBESRZSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3ccncc3n2)C1 ZINC001025484429 625475828 /nfs/dbraw/zinc/47/58/28/625475828.db2.gz DJTXJAPUPHTZFD-GOEBONIOSA-N 0 3 322.412 2.093 20 30 DEEDHN N#Cc1ccccc1CNC1CCC(NC(=O)c2cnco2)CC1 ZINC001026537203 625504808 /nfs/dbraw/zinc/50/48/08/625504808.db2.gz OXVHUIWELOFMML-UHFFFAOYSA-N 0 3 324.384 2.377 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ocnc2CC)C1 ZINC001025526933 625509048 /nfs/dbraw/zinc/50/90/48/625509048.db2.gz BZEHZYHGSYWSGH-KGLIPLIRSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C3CC3)no2)C1 ZINC001025546984 625534836 /nfs/dbraw/zinc/53/48/36/625534836.db2.gz WHEPHWCMIYOAAO-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H]2OCCc3ccsc32)C1 ZINC000972759765 625536071 /nfs/dbraw/zinc/53/60/71/625536071.db2.gz MFEBSSOGKKKLQH-HUUCEWRRSA-N 0 3 320.458 2.471 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001025554467 625540642 /nfs/dbraw/zinc/54/06/42/625540642.db2.gz FOARLYCHWTVKDN-WFASDCNBSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1 ZINC000892767783 625570147 /nfs/dbraw/zinc/57/01/47/625570147.db2.gz CZSBJMQWTMFUPB-IBGZPJMESA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(OC)c2F)C1 ZINC001025576456 625572898 /nfs/dbraw/zinc/57/28/98/625572898.db2.gz KESAJCRFCPJYTQ-KGLIPLIRSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC000969111327 622563698 /nfs/dbraw/zinc/56/36/98/622563698.db2.gz NNDDMKLWCUKKFW-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2scnc2C2CCCC2)C1 ZINC000969220654 622630433 /nfs/dbraw/zinc/63/04/33/622630433.db2.gz VEOCSBVUOZZNHI-CYBMUJFWSA-N 0 3 303.431 2.238 20 30 DEEDHN Cc1ccc(CN2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC000969462587 622783672 /nfs/dbraw/zinc/78/36/72/622783672.db2.gz GPWMPNUXTAVQDL-AWEZNQCLSA-N 0 3 322.412 2.445 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c3ccccc3nn2C)C1 ZINC001025585025 625595296 /nfs/dbraw/zinc/59/52/96/625595296.db2.gz AEYQEIBHFUFFMY-LSDHHAIUSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccnc(N(C)C)c2)C1 ZINC000969587895 622831705 /nfs/dbraw/zinc/83/17/05/622831705.db2.gz YYMDGJHVGPOHHY-OAHLLOKOSA-N 0 3 316.449 2.050 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001025586185 625598498 /nfs/dbraw/zinc/59/84/98/625598498.db2.gz WWHIWOPHRHXZQH-HIFRSBDPSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC000969666327 622873930 /nfs/dbraw/zinc/87/39/30/622873930.db2.gz XSYMPMOXJYKZHB-LBPRGKRZSA-N 0 3 303.406 2.046 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000969667683 622875481 /nfs/dbraw/zinc/87/54/81/622875481.db2.gz MAJGNXNRSDHRBC-DGCLKSJQSA-N 0 3 322.840 2.019 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2oc(CC)nc2C)C1 ZINC001025590046 625601804 /nfs/dbraw/zinc/60/18/04/625601804.db2.gz KBOSBJIAHKKRMA-HIFRSBDPSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2sc(Cl)nc2C)C1 ZINC000969757901 622907667 /nfs/dbraw/zinc/90/76/67/622907667.db2.gz UHEAEVILZNCYRX-VIFPVBQESA-N 0 3 311.838 2.178 20 30 DEEDHN C#C[C@@H]1CCCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000890650889 622945833 /nfs/dbraw/zinc/94/58/33/622945833.db2.gz RUWNVQQJYSODNJ-MRXNPFEDSA-N 0 3 304.434 2.036 20 30 DEEDHN CC(F)(F)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000969845364 622947134 /nfs/dbraw/zinc/94/71/34/622947134.db2.gz AHRZTTUUWISWHN-SNVBAGLBSA-N 0 3 313.373 2.356 20 30 DEEDHN C#Cc1cncc(C(=O)N2CC[C@@H](NCc3ccsc3)C2)c1 ZINC000969892292 622979609 /nfs/dbraw/zinc/97/96/09/622979609.db2.gz WFCJMOAJRJPCCB-MRXNPFEDSA-N 0 3 311.410 2.129 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001020644075 623001585 /nfs/dbraw/zinc/00/15/85/623001585.db2.gz VOZPUDPOOVFMKH-SRVKXCTJSA-N 0 3 313.239 2.322 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001020938706 623195703 /nfs/dbraw/zinc/19/57/03/623195703.db2.gz TZCPEOQIURTSGY-HDJSIYSDSA-N 0 3 318.808 2.026 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC000970182908 623288359 /nfs/dbraw/zinc/28/83/59/623288359.db2.gz 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/nfs/dbraw/zinc/66/65/26/625666526.db2.gz DGQAQLZXHWTPSJ-QGZVFWFLSA-N 0 3 314.433 2.482 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c(F)ccc(OC)c2F)C1 ZINC000970769989 623670105 /nfs/dbraw/zinc/67/01/05/623670105.db2.gz XYROEJACXXRKPQ-LLVKDONJSA-N 0 3 322.355 2.047 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(OC)cc2OC)C1 ZINC000970796824 623686340 /nfs/dbraw/zinc/68/63/40/623686340.db2.gz UJRCINJQYCZLDB-ZDUSSCGKSA-N 0 3 318.417 2.330 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2c(C)noc2C)C1 ZINC001021516697 623697550 /nfs/dbraw/zinc/69/75/50/623697550.db2.gz OCRJEPROPXADGM-HZPDHXFCSA-N 0 3 315.417 2.241 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc3cnccc32)C1 ZINC000970882843 623759519 /nfs/dbraw/zinc/75/95/19/623759519.db2.gz IMOKTYBXZOXYQL-AWEZNQCLSA-N 0 3 307.397 2.308 20 30 DEEDHN CCC(=O)N1CC[C@H](N(C)Cc2ccc(OCC#N)cc2)C1 ZINC000970903803 623776520 /nfs/dbraw/zinc/77/65/20/623776520.db2.gz IGNXJEUGLRQHNX-HNNXBMFYSA-N 0 3 301.390 2.032 20 30 DEEDHN 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634778448 /nfs/dbraw/zinc/77/84/48/634778448.db2.gz YYPFTLMKHRFACX-UHFFFAOYSA-N 0 3 317.458 2.313 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COc2ccc(F)c(F)c2)cs1 ZINC000921696899 634778884 /nfs/dbraw/zinc/77/88/84/634778884.db2.gz CMUWCYFBFKPLEU-NSHDSACASA-N 0 3 324.352 2.427 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3Cc4ccccc43)CC2)CC1 ZINC001000250470 634825108 /nfs/dbraw/zinc/82/51/08/634825108.db2.gz RSFIPMMRUCIJQN-GOSISDBHSA-N 0 3 308.425 2.320 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3occc3CC)CC2)CC1 ZINC001000254680 634827167 /nfs/dbraw/zinc/82/71/67/634827167.db2.gz ZBUIDFSLMQEJCJ-UHFFFAOYSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCSc1ccc(C)cc1 ZINC000836196403 650062936 /nfs/dbraw/zinc/06/29/36/650062936.db2.gz DDDAVPSJMRVUPI-UHFFFAOYSA-N 0 3 319.474 2.341 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000836315777 650078857 /nfs/dbraw/zinc/07/88/57/650078857.db2.gz HPWZKTYAEWWGKT-GOSISDBHSA-N 0 3 313.445 2.262 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000836336241 650080821 /nfs/dbraw/zinc/08/08/21/650080821.db2.gz VVOSUHQTCQGNLY-ZDUSSCGKSA-N 0 3 323.387 2.323 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(F)(F)c1ccccc1 ZINC000836420129 650089788 /nfs/dbraw/zinc/08/97/88/650089788.db2.gz MBEAOVSBJJZPBL-UHFFFAOYSA-N 0 3 309.360 2.033 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC[C@H]1CCc2ccccc21 ZINC000836491485 650098128 /nfs/dbraw/zinc/09/81/28/650098128.db2.gz UJMVARXYIMEDRO-QGZVFWFLSA-N 0 3 313.445 2.361 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001024740110 632961710 /nfs/dbraw/zinc/96/17/10/632961710.db2.gz OPXNYSBUVBJJOU-AWEZNQCLSA-N 0 3 302.422 2.448 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CN(CC(=C)C)CC1(C)C ZINC000974587257 633168342 /nfs/dbraw/zinc/16/83/42/633168342.db2.gz IMRYLSCTVMOJCU-PMPSAXMXSA-N 0 3 306.450 2.370 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C[C@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000974628742 633183178 /nfs/dbraw/zinc/18/31/78/633183178.db2.gz FITOSFJKQFWPRL-WBVHZDCISA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C(C)(C)C1 ZINC000974670152 633215682 /nfs/dbraw/zinc/21/56/82/633215682.db2.gz GVXZSWXDOSYMKX-LSDHHAIUSA-N 0 3 316.449 2.163 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H](NCc3ccnn3C)C(C)(C)C2)C1 ZINC000996253484 633224200 /nfs/dbraw/zinc/22/42/00/633224200.db2.gz GCWMEAKOCPHFJH-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cc[nH]c3n2)C(C)(C)C1 ZINC000974688292 633236226 /nfs/dbraw/zinc/23/62/26/633236226.db2.gz UULXMSUAJFVSSX-HNNXBMFYSA-N 0 3 310.401 2.026 20 30 DEEDHN Cc1nc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)cs1 ZINC000733681662 633261877 /nfs/dbraw/zinc/26/18/77/633261877.db2.gz YBOQHFHNVSZSJM-LBPRGKRZSA-N 0 3 314.370 2.127 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3ccccn23)C(C)(C)C1 ZINC000974748890 633278285 /nfs/dbraw/zinc/27/82/85/633278285.db2.gz XHBRQDFLUMYYJM-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)C(C)(C)C1 ZINC000974805410 633307900 /nfs/dbraw/zinc/30/79/00/633307900.db2.gz DKAKDJALGBMZCA-QGZVFWFLSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cc(OCC)no2)C(C)(C)C1 ZINC000974827589 633321575 /nfs/dbraw/zinc/32/15/75/633321575.db2.gz QNRQRMOICURRHB-ZDUSSCGKSA-N 0 3 307.394 2.090 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNCc2nccn2CC)C1 ZINC001027037849 633371668 /nfs/dbraw/zinc/37/16/68/633371668.db2.gz CSGQZJVZFKILDB-CRAIPNDOSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3n2CCCC3)C(C)(C)C1 ZINC000974952609 633378726 /nfs/dbraw/zinc/37/87/26/633378726.db2.gz BBTBBJXWUHVZIR-OAHLLOKOSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ncccc2F)C(C)(C)C1 ZINC000974965719 633379795 /nfs/dbraw/zinc/37/97/95/633379795.db2.gz OXMHWQMFSZBXHX-HNNXBMFYSA-N 0 3 305.397 2.166 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000974958086 633382812 /nfs/dbraw/zinc/38/28/12/633382812.db2.gz AJNPERYBQBREAY-MRXNPFEDSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001008796514 633408757 /nfs/dbraw/zinc/40/87/57/633408757.db2.gz XGDMIOVEOTZWBY-JYJNAYRXSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2Cc3ccccc3C2)C(C)(C)C1 ZINC000975096882 633425335 /nfs/dbraw/zinc/42/53/35/633425335.db2.gz NXRMIYWVKOYEJS-SFHVURJKSA-N 0 3 310.441 2.251 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3nccn3CC)CC2)C1 ZINC000996974309 633550213 /nfs/dbraw/zinc/55/02/13/633550213.db2.gz PYDPAHLMSLDPNG-UHFFFAOYSA-N 0 3 316.449 2.340 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001009362987 633611676 /nfs/dbraw/zinc/61/16/76/633611676.db2.gz KGVVCSYNMSSSMR-HNNXBMFYSA-N 0 3 315.417 2.177 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c[nH]nc2C(C)C)CC1 ZINC000997198905 633673029 /nfs/dbraw/zinc/67/30/29/633673029.db2.gz OVKBCOXVIHINMV-CQSZACIVSA-N 0 3 316.449 2.387 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cncc3[nH]ccc32)CC1 ZINC000997202207 633674441 /nfs/dbraw/zinc/67/44/41/633674441.db2.gz DWIWJNLBBUIJPJ-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000997218439 633679151 /nfs/dbraw/zinc/67/91/51/633679151.db2.gz CUMYVWZJJHOGJY-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2onc3c2CCCC3)CC1 ZINC000997218468 633679189 /nfs/dbraw/zinc/67/91/89/633679189.db2.gz FCYSPKWFEGRNLZ-CYBMUJFWSA-N 0 3 315.417 2.017 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)c(OC)c2)CC1 ZINC000997216090 633683670 /nfs/dbraw/zinc/68/36/70/633683670.db2.gz MWUKFENRDNSLFZ-OAHLLOKOSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000997234842 633685808 /nfs/dbraw/zinc/68/58/08/633685808.db2.gz IPVRAFYQSMJTBK-OLMNPRSZSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)cn3ccnc23)CC1 ZINC000997236473 633686682 /nfs/dbraw/zinc/68/66/82/633686682.db2.gz AIUKZDMCXYCGQU-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CCN(CC#CC)CC1 ZINC000997339863 633708194 /nfs/dbraw/zinc/70/81/94/633708194.db2.gz NEFUBBDOXOVCGU-NJAFHUGGSA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001027464066 633832158 /nfs/dbraw/zinc/83/21/58/633832158.db2.gz IYYLCMCJUKZBPM-HNNXBMFYSA-N 0 3 319.836 2.142 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001027481711 633865616 /nfs/dbraw/zinc/86/56/16/633865616.db2.gz OTJAAJCJSTWKRN-OAHLLOKOSA-N 0 3 324.428 2.052 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000977214451 633881044 /nfs/dbraw/zinc/88/10/44/633881044.db2.gz DLTKTHFPGOWULY-IAGOWNOFSA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2coc(C(C)(C)C)n2)CC1 ZINC000997581498 633883217 /nfs/dbraw/zinc/88/32/17/633883217.db2.gz VKAJMCAALGQEAB-ZDUSSCGKSA-N 0 3 317.433 2.436 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ncccc2CC)CC1 ZINC000997648228 633910293 /nfs/dbraw/zinc/91/02/93/633910293.db2.gz GSNPKSAWSXPXLG-HNNXBMFYSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccnc(C3CC3)c2)CC1 ZINC000997657916 633914481 /nfs/dbraw/zinc/91/44/81/633914481.db2.gz CLJHOTOJIUWHPO-AWEZNQCLSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)cn3ccnc23)CC1 ZINC000997684508 633932090 /nfs/dbraw/zinc/93/20/90/633932090.db2.gz AIUKZDMCXYCGQU-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000997728010 633952514 /nfs/dbraw/zinc/95/25/14/633952514.db2.gz FMHYOJPKQDNWTE-UGSOOPFHSA-N 0 3 314.404 2.315 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(CCC)c2C)C(C)(C)C1 ZINC000977377938 633953389 /nfs/dbraw/zinc/95/33/89/633953389.db2.gz NENZRPBJAAWRLZ-MRXNPFEDSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1C[C@H](NC(=O)[C@H]2CCCCN2CCCC)C(C)(C)C1 ZINC000977452191 633991301 /nfs/dbraw/zinc/99/13/01/633991301.db2.gz QZNHZOJDYGRGRB-SJORKVTESA-N 0 3 319.493 2.101 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccn2CC)CC1 ZINC000997863447 634013624 /nfs/dbraw/zinc/01/36/24/634013624.db2.gz LVMHESBYRSOCTL-HNNXBMFYSA-N 0 3 301.434 2.362 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2OC)C(C)(C)C1 ZINC000977529049 634028302 /nfs/dbraw/zinc/02/83/02/634028302.db2.gz ZQASVUQTGBIOQE-MRXNPFEDSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2scnc2C)CC1 ZINC000997928737 634065892 /nfs/dbraw/zinc/06/58/92/634065892.db2.gz QDQNEPVCNQHBLA-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(F)nc2)CC1 ZINC000997949458 634073293 /nfs/dbraw/zinc/07/32/93/634073293.db2.gz NGKOWMXIHLTRMM-OAHLLOKOSA-N 0 3 303.381 2.171 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 ZINC001027546430 634073374 /nfs/dbraw/zinc/07/33/74/634073374.db2.gz NNRXBURMSCGHTA-CYBMUJFWSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2c(C)ccn2C)CC1 ZINC000997980545 634092908 /nfs/dbraw/zinc/09/29/08/634092908.db2.gz CGBOCUWQMGZUOF-MRXNPFEDSA-N 0 3 301.434 2.283 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2nn(C)cc2C)CC1 ZINC000998014997 634112898 /nfs/dbraw/zinc/11/28/98/634112898.db2.gz MIWRHFPDVUXRQJ-INIZCTEOSA-N 0 3 316.449 2.068 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccns2)CC1 ZINC000998023134 634115849 /nfs/dbraw/zinc/11/58/49/634115849.db2.gz ONRXCTVPRWGQKY-CQSZACIVSA-N 0 3 305.447 2.483 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000998024965 634116200 /nfs/dbraw/zinc/11/62/00/634116200.db2.gz FXPYJLCBJRKKKJ-ZDUSSCGKSA-N 0 3 322.840 2.321 20 30 DEEDHN C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998034299 634118164 /nfs/dbraw/zinc/11/81/64/634118164.db2.gz ABOFWYUDYFQBGT-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998034299 634118166 /nfs/dbraw/zinc/11/81/66/634118166.db2.gz ABOFWYUDYFQBGT-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnn(C)c2Cl)CC1 ZINC000998042785 634121210 /nfs/dbraw/zinc/12/12/10/634121210.db2.gz ANZSQYHVMZVGAA-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cccn3nccc23)CC1 ZINC000998048642 634124510 /nfs/dbraw/zinc/12/45/10/634124510.db2.gz BZNMGGJAQYYQOC-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc3nccn32)CC1 ZINC000998064383 634128786 /nfs/dbraw/zinc/12/87/86/634128786.db2.gz RXCOBTHRJZFVJS-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cn(CC)nc2C)CC1 ZINC000998142204 634153729 /nfs/dbraw/zinc/15/37/29/634153729.db2.gz LVXGUJWMVDUSLG-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ocnc2C)CC[C@H]1C(F)(F)F ZINC000998251859 634188804 /nfs/dbraw/zinc/18/88/04/634188804.db2.gz RWLOQOJSJQLTRR-MNOVXSKESA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc[nH]c2C)CC[C@@H]1C(F)(F)F ZINC000998256644 634191390 /nfs/dbraw/zinc/19/13/90/634191390.db2.gz MOGKZMDDSNKAAK-QWHCGFSZSA-N 0 3 315.339 2.492 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(CC)nc2C(C)C)C1 ZINC001027596115 634245194 /nfs/dbraw/zinc/24/51/94/634245194.db2.gz NQJQMDIOPDKPIV-OAHLLOKOSA-N 0 3 316.449 2.196 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OC)c(C)c2)C1 ZINC001027615164 634293616 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2.479 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001028899298 636828798 /nfs/dbraw/zinc/82/87/98/636828798.db2.gz GULPUMIFWANWLF-CQSZACIVSA-N 0 3 315.417 2.407 20 30 DEEDHN CCN1CC[C@@H](NC(=O)NC(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000922908285 636848516 /nfs/dbraw/zinc/84/85/16/636848516.db2.gz KEHSHBKCRMHMIM-MRXNPFEDSA-N 0 3 314.433 2.273 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001028919694 636853711 /nfs/dbraw/zinc/85/37/11/636853711.db2.gz FIHRXUPSYZQUCF-ZBFHGGJFSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(OC)cc2)C[C@H]1C ZINC000947966559 636885950 /nfs/dbraw/zinc/88/59/50/636885950.db2.gz CRKUFSFQMLPXEE-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001028972198 636913310 /nfs/dbraw/zinc/91/33/10/636913310.db2.gz DYBHMWMUDGDCMT-MRXNPFEDSA-N 0 3 314.429 2.406 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(F)c3occc32)C1 ZINC001028996913 636941494 /nfs/dbraw/zinc/94/14/94/636941494.db2.gz 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/nfs/dbraw/zinc/69/79/04/637697904.db2.gz MWIUFQQGSOUTDE-PQUAAJSLSA-N 0 3 313.401 2.360 20 30 DEEDHN C#CCO[C@@H](C)C(=O)O[C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000839092091 637776473 /nfs/dbraw/zinc/77/64/73/637776473.db2.gz XCVOZVYLOOQSTF-XYJFISCASA-N 0 3 315.413 2.479 20 30 DEEDHN C#CCC1(O)CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000895669429 638142716 /nfs/dbraw/zinc/14/27/16/638142716.db2.gz CTORQKHTGNCUTB-UHFFFAOYSA-N 0 3 309.793 2.404 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC2(CC1)COCCO2 ZINC000895697817 638155836 /nfs/dbraw/zinc/15/58/36/638155836.db2.gz BQHDFGUBQTUQFI-UHFFFAOYSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@](C)(C(=O)OC)C1 ZINC000840974838 650397627 /nfs/dbraw/zinc/39/76/27/650397627.db2.gz IPDOSENFKRWRDV-SFHVURJKSA-N 0 3 301.386 2.474 20 30 DEEDHN C[C@H](O)CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000744406192 638217638 /nfs/dbraw/zinc/21/76/38/638217638.db2.gz GGDNRUUHGKQCHD-RYUDHWBXSA-N 0 3 317.414 2.175 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(OCC#N)cc1 ZINC000746205757 638322214 /nfs/dbraw/zinc/32/22/14/638322214.db2.gz CCTVEFFYMZTPEW-ZIAGYGMSSA-N 0 3 301.390 2.078 20 30 DEEDHN C#CCOc1ccccc1CNCCOc1ncccc1F ZINC000746753919 638375876 /nfs/dbraw/zinc/37/58/76/638375876.db2.gz INENEWOCTDCIRM-UHFFFAOYSA-N 0 3 300.333 2.401 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000747018226 638399774 /nfs/dbraw/zinc/39/97/74/638399774.db2.gz CMPPBTVTZHKLDJ-SMDDNHRTSA-N 0 3 318.421 2.156 20 30 DEEDHN CC(=O)N1CC[C@](C)(C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000747106005 638407657 /nfs/dbraw/zinc/40/76/57/638407657.db2.gz IXOUMIYJLXNQDT-SJCJKPOMSA-N 0 3 311.341 2.263 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000896208317 638416388 /nfs/dbraw/zinc/41/63/88/638416388.db2.gz COBMBACMGHPWBY-INIZCTEOSA-N 0 3 306.450 2.492 20 30 DEEDHN CS(=O)(=O)C1CCC(CNCc2cccc(F)c2C#N)CC1 ZINC000896254516 638433639 /nfs/dbraw/zinc/43/36/39/638433639.db2.gz QXOBSJSJDKNXEZ-UHFFFAOYSA-N 0 3 324.421 2.390 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCc3ccccc3C2)CC1 ZINC000888252353 638618297 /nfs/dbraw/zinc/61/82/97/638618297.db2.gz KPEIETOSMHSQHT-IBGZPJMESA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCN(Cc1ccc(OCCN2CCOCC2)cc1)C(C)C ZINC000897170980 639222817 /nfs/dbraw/zinc/22/28/17/639222817.db2.gz NJJMOPNOXQVWLV-UHFFFAOYSA-N 0 3 316.445 2.241 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2c(C)cc(C#N)cc2C)C[C@H]1N(C)C ZINC000897228380 639261589 /nfs/dbraw/zinc/26/15/89/639261589.db2.gz MFWZGXZQBCXMMF-HUUCEWRRSA-N 0 3 317.458 2.293 20 30 DEEDHN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(OCC#N)cc1 ZINC000753732184 639335960 /nfs/dbraw/zinc/33/59/60/639335960.db2.gz PVLJRVBVDRTIIW-CJNGLKHVSA-N 0 3 322.430 2.207 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001029801774 639490174 /nfs/dbraw/zinc/49/01/74/639490174.db2.gz QYJFCXQZNJXKJA-OAHLLOKOSA-N 0 3 316.449 2.278 20 30 DEEDHN C[C@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)c1ccon1 ZINC000986003102 639722564 /nfs/dbraw/zinc/72/25/64/639722564.db2.gz HCACLAIBRXMRPV-GXFFZTMASA-N 0 3 316.386 2.001 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1ccccc1OCC)[C@@H]1CCCO1 ZINC000839564071 639755116 /nfs/dbraw/zinc/75/51/16/639755116.db2.gz NTRIYWNSFKTXGX-ZBFHGGJFSA-N 0 3 316.401 2.184 20 30 DEEDHN C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757655997 639864691 /nfs/dbraw/zinc/86/46/91/639864691.db2.gz MCTAKCUBSWJGTE-CMPLNLGQSA-N 0 3 313.394 2.270 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cn1 ZINC000758201443 639926720 /nfs/dbraw/zinc/92/67/20/639926720.db2.gz LVCAASKZJXFPBM-KXBFYZLASA-N 0 3 319.408 2.456 20 30 DEEDHN C#CCNC(=S)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000758255614 639938734 /nfs/dbraw/zinc/93/87/34/639938734.db2.gz HDLKVFFIVRIKGM-HNNXBMFYSA-N 0 3 301.459 2.091 20 30 DEEDHN C#CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000759684830 640102627 /nfs/dbraw/zinc/10/26/27/640102627.db2.gz IHMFGHLFPFSYLV-AWEZNQCLSA-N 0 3 302.761 2.469 20 30 DEEDHN CCC(=O)N1C[C@@H](NCc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000987657283 640247569 /nfs/dbraw/zinc/24/75/69/640247569.db2.gz PISRXTFVAQKPMU-DOMZBBRYSA-N 0 3 301.390 2.056 20 30 DEEDHN CCO[C@H](CC(=O)C(C#N)C(=O)NCc1ccccc1)C(C)C ZINC000761040174 640257040 /nfs/dbraw/zinc/25/70/40/640257040.db2.gz VYVGGDFLDYZXAI-DOTOQJQBSA-N 0 3 316.401 2.463 20 30 DEEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000761063812 640260573 /nfs/dbraw/zinc/26/05/73/640260573.db2.gz BQALMXJPZJCIFJ-JSGCOSHPSA-N 0 3 303.362 2.180 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)N[C@H](c3cccs3)C2=O)CC1 ZINC000761249425 640290056 /nfs/dbraw/zinc/29/00/56/640290056.db2.gz BSYOIYZJDLDKKD-CQSZACIVSA-N 0 3 319.430 2.382 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)[C@@H](CC)N(CCC)C2=O)CC1 ZINC000761248582 640290085 /nfs/dbraw/zinc/29/00/85/640290085.db2.gz HSRIOGZMGMBNQO-OAHLLOKOSA-N 0 3 307.438 2.480 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)[C@@H]3CCCCCN3C2=O)CC1 ZINC000761253462 640291195 /nfs/dbraw/zinc/29/11/95/640291195.db2.gz JAVTUANUFBFBNI-HNNXBMFYSA-N 0 3 305.422 2.234 20 30 DEEDHN C[C@H]1CC(N=Nc2ncnc3c2cnn3-c2ccccc2)CN1C ZINC000761805602 640347497 /nfs/dbraw/zinc/34/74/97/640347497.db2.gz HHIGRUYADPKZLE-LBPRGKRZSA-N 0 3 321.388 2.307 20 30 DEEDHN CN(C)C(=O)c1cccc(CNC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000763232803 640520338 /nfs/dbraw/zinc/52/03/38/640520338.db2.gz UYELLFPRYBCBKN-GOSISDBHSA-N 0 3 323.396 2.083 20 30 DEEDHN Cc1nc(C)c(CN[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)s1 ZINC000988824337 640668720 /nfs/dbraw/zinc/66/87/20/640668720.db2.gz GCNDTYLSELMMLU-XHDPSFHLSA-N 0 3 317.458 2.252 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000988978277 640700189 /nfs/dbraw/zinc/70/01/89/640700189.db2.gz JXONUSPQFVGENQ-KGLIPLIRSA-N 0 3 317.433 2.117 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3ccc(C)nc32)C1 ZINC000989024516 640706594 /nfs/dbraw/zinc/70/65/94/640706594.db2.gz VQAPXYRUSVUMOD-HOCLYGCPSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3cc(F)ccc23)C1 ZINC000989072580 640717845 /nfs/dbraw/zinc/71/78/45/640717845.db2.gz DSROHGYHAHDTRF-DGCLKSJQSA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000989089335 640721314 /nfs/dbraw/zinc/72/13/14/640721314.db2.gz VDENZYJTZHIROZ-DZGCQCFKSA-N 0 3 309.369 2.167 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCc3cccnc3)C[C@H]2C)cc1 ZINC000989276984 640774991 /nfs/dbraw/zinc/77/49/91/640774991.db2.gz XBPFWTLSDYJKEX-BEFAXECRSA-N 0 3 319.408 2.456 20 30 DEEDHN COc1ccc(CN2C[C@@H](C)[C@H](O)C2)cc1OCCCC#N ZINC000897683993 640902425 /nfs/dbraw/zinc/90/24/25/640902425.db2.gz IPHRTRIUYVYTLH-UKRRQHHQSA-N 0 3 304.390 2.190 20 30 DEEDHN C#CCSCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000897691658 640906527 /nfs/dbraw/zinc/90/65/27/640906527.db2.gz PAYDCZFLCCFLMP-AWEZNQCLSA-N 0 3 310.850 2.425 20 30 DEEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000841992775 650621987 /nfs/dbraw/zinc/62/19/87/650621987.db2.gz XAWORFCRTQXIKJ-WMZOPIPTSA-N 0 3 312.417 2.209 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(Cl)c2F)C1 ZINC000989486888 641118423 /nfs/dbraw/zinc/11/84/23/641118423.db2.gz VYXKFXWOYUSQSZ-DGCLKSJQSA-N 0 3 308.784 2.234 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000989556325 641144555 /nfs/dbraw/zinc/14/45/55/641144555.db2.gz ZUSRBQPYUWZLSC-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C#CCCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000768950895 641147174 /nfs/dbraw/zinc/14/71/74/641147174.db2.gz MRZAJRGOPRVCTI-KRWDZBQOSA-N 0 3 301.434 2.466 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2c(C)n(C)nc2Cl)CC1 ZINC000989573281 641150871 /nfs/dbraw/zinc/15/08/71/641150871.db2.gz SVPNCWQYTCWBEF-UHFFFAOYSA-N 0 3 324.856 2.496 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(F)cc2F)C1 ZINC000989628762 641175404 /nfs/dbraw/zinc/17/54/04/641175404.db2.gz KGBYVKBFPUAAQA-SWLSCSKDSA-N 0 3 306.356 2.110 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000989690324 641196743 /nfs/dbraw/zinc/19/67/43/641196743.db2.gz KOYCNNMELAHXTO-UKRRQHHQSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2sc(C(C)C)nc2C)C1 ZINC000989790648 641232799 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CC#CCN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)[C@H](C)C1 ZINC000942522944 649233890 /nfs/dbraw/zinc/23/38/90/649233890.db2.gz JLQIBZJVEFLTIH-DOMZBBRYSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)[C@H](C)C1 ZINC000942540547 649239161 /nfs/dbraw/zinc/23/91/61/649239161.db2.gz MCMPDDGXHOYJOT-KOLCDFICSA-N 0 3 314.216 2.395 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000942589425 649256629 /nfs/dbraw/zinc/25/66/29/649256629.db2.gz YMDQVFVDQRBFDY-YJBOKZPZSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)[C@@H](C)C1 ZINC000942858243 649294611 /nfs/dbraw/zinc/29/46/11/649294611.db2.gz KFHXJOOTMPTUAV-YOEHRIQHSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)[C@@H](C)C1 ZINC000942857219 649296494 /nfs/dbraw/zinc/29/64/94/649296494.db2.gz IPZYJGHOHOOKTP-SUMWQHHRSA-N 0 3 311.429 2.341 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@H](C)C1 ZINC000942892709 649299323 /nfs/dbraw/zinc/29/93/23/649299323.db2.gz 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649387613 /nfs/dbraw/zinc/38/76/13/649387613.db2.gz PNPXDZQPSSNACV-CJNGLKHVSA-N 0 3 312.417 2.498 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)[C@H](C)C1 ZINC000943496254 649388855 /nfs/dbraw/zinc/38/88/55/649388855.db2.gz HCENCGSIVFDZFZ-RDTXWAMCSA-N 0 3 322.412 2.150 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2c(C)noc2Cl)[C@@H](C)C1 ZINC000943550608 649393955 /nfs/dbraw/zinc/39/39/55/649393955.db2.gz ZQAUMYCTXMGSDR-SMDDNHRTSA-N 0 3 323.824 2.029 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)[C@@H](C)C1 ZINC000943951211 649462887 /nfs/dbraw/zinc/46/28/87/649462887.db2.gz UBXCJHMBNUZEQP-WMLDXEAASA-N 0 3 322.412 2.150 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@H](C)C1 ZINC000944077990 649480034 /nfs/dbraw/zinc/48/00/34/649480034.db2.gz DMCIWGTUFYLWPV-RHSMWYFYSA-N 0 3 316.449 2.236 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2sccc2COC)[C@H](C)C1 ZINC000944134493 649487231 /nfs/dbraw/zinc/48/72/31/649487231.db2.gz DLUFWXDUSVKJQI-UKRRQHHQSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(OCC)cc2)[C@@H](C)C1 ZINC000944699088 649551962 /nfs/dbraw/zinc/55/19/62/649551962.db2.gz GWMWRUOOBWMIAD-YJBOKZPZSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000944812216 649569973 /nfs/dbraw/zinc/56/99/73/649569973.db2.gz RXYOXRARTKJLEJ-WFASDCNBSA-N 0 3 320.820 2.422 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2Cl)[C@H](C)C1 ZINC000945029315 649600952 /nfs/dbraw/zinc/60/09/52/649600952.db2.gz RNGIMXDCGRWOMH-YPMHNXCESA-N 0 3 324.856 2.491 20 30 DEEDHN COc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)ccc1C#N ZINC000832296122 649693635 /nfs/dbraw/zinc/69/36/35/649693635.db2.gz IYWXKJXVBCPJEC-HNNXBMFYSA-N 0 3 301.390 2.169 20 30 DEEDHN COc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ccc1C#N ZINC000834475768 649804330 /nfs/dbraw/zinc/80/43/30/649804330.db2.gz CRLXUNARAOELRO-MRXNPFEDSA-N 0 3 313.401 2.314 20 30 DEEDHN C=C[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OCC ZINC000834620817 649822961 /nfs/dbraw/zinc/82/29/61/649822961.db2.gz 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/nfs/dbraw/zinc/29/07/92/651290792.db2.gz BONQZOCJDMXMMM-NOZJJQNGSA-N 0 3 312.322 2.332 20 30 DEEDHN C=C[C@H](C)ONC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000846551523 651338020 /nfs/dbraw/zinc/33/80/20/651338020.db2.gz WHQUETJDDPJYHD-AWEZNQCLSA-N 0 3 318.417 2.127 20 30 DEEDHN CON=Cc1ccc(C(=O)N(C)CCN2CCCCC2)cc1 ZINC000846612268 651341176 /nfs/dbraw/zinc/34/11/76/651341176.db2.gz MVHRRJSVDWDMJT-UHFFFAOYSA-N 0 3 303.406 2.225 20 30 DEEDHN CC(C)COc1ccc(CC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000106984792 651405281 /nfs/dbraw/zinc/40/52/81/651405281.db2.gz YDPOQHKHZTXDJA-MRXNPFEDSA-N 0 3 316.401 2.497 20 30 DEEDHN N#CCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000847689698 651410834 /nfs/dbraw/zinc/41/08/34/651410834.db2.gz CLSKIYBQXCVRBE-GFCCVEGCSA-N 0 3 319.311 2.374 20 30 DEEDHN C=CCOc1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577725 651474148 /nfs/dbraw/zinc/47/41/48/651474148.db2.gz JOXFMSUFZPWDSL-INIZCTEOSA-N 0 3 302.374 2.324 20 30 DEEDHN CC(C)[C@H](C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)N(C)C ZINC000855304532 651671218 /nfs/dbraw/zinc/67/12/18/651671218.db2.gz FNLWZOZSJSWGQR-AEFFLSMTSA-N 0 3 314.433 2.052 20 30 DEEDHN CC(C)(NCc1ccc(OCC(N)=O)cc1)c1cccc(C#N)c1 ZINC000850356153 651909342 /nfs/dbraw/zinc/90/93/42/651909342.db2.gz NQZWRTZAWWPBJD-UHFFFAOYSA-N 0 3 323.396 2.447 20 30 DEEDHN C=CCOc1ccc(CNCCN(C)C(=O)OC)cc1OC ZINC000850388744 651917121 /nfs/dbraw/zinc/91/71/21/651917121.db2.gz LBJNNNVBWVXSQT-UHFFFAOYSA-N 0 3 308.378 2.048 20 30 DEEDHN CC(C)(C)OC(=O)[C@H](C(=O)C(C#N)c1ccncn1)C1CC1 ZINC000850948591 652025758 /nfs/dbraw/zinc/02/57/58/652025758.db2.gz ULUMAHZPHIXPLO-AAEUAGOBSA-N 0 3 301.346 2.021 20 30 DEEDHN C#CCOCCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000851886229 652271048 /nfs/dbraw/zinc/27/10/48/652271048.db2.gz PPRMLTJQAIGRSD-CQSZACIVSA-N 0 3 312.207 2.064 20 30 DEEDHN C#CCOCCN1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000852051392 652325525 /nfs/dbraw/zinc/32/55/25/652325525.db2.gz DMQYHZGVTPSNCX-UHFFFAOYSA-N 0 3 322.449 2.406 20 30 DEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000852100377 652338748 /nfs/dbraw/zinc/33/87/48/652338748.db2.gz WWHMRFGBGIFJON-MAUKXSAKSA-N 0 3 302.418 2.270 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000852101680 652339921 /nfs/dbraw/zinc/33/99/21/652339921.db2.gz GNARKZIEMURLLC-WMZOPIPTSA-N 0 3 318.392 2.117 20 30 DEEDHN C=CCN(CC(=O)NC1CCC2(CC1)OCCO2)C(C)(C)C ZINC000852554411 652420410 /nfs/dbraw/zinc/42/04/10/652420410.db2.gz LQQAZMYKACFFHF-UHFFFAOYSA-N 0 3 310.438 2.075 20 30 DEEDHN C#CCCN(CCOC)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000852752625 652450482 /nfs/dbraw/zinc/45/04/82/652450482.db2.gz FQIWIUVPXFBCOS-KRWDZBQOSA-N 0 3 305.418 2.015 20 30 DEEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)C(=O)N(C)CCC#N ZINC000852781518 652455841 /nfs/dbraw/zinc/45/58/41/652455841.db2.gz FFKXQVCVFUGKMM-UONOGXRCSA-N 0 3 315.417 2.423 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000854077226 652638227 /nfs/dbraw/zinc/63/82/27/652638227.db2.gz MTZZDRKQVXYZGP-GOEBONIOSA-N 0 3 303.406 2.009 20 30 DEEDHN C#Cc1cccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000854262472 652667655 /nfs/dbraw/zinc/66/76/55/652667655.db2.gz DPRUGVJMRRBKTH-QGZVFWFLSA-N 0 3 313.401 2.043 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001391786172 1156802714 /nfs/dbraw/zinc/80/27/14/1156802714.db2.gz HYWKYNJXQUYXHY-HNNXBMFYSA-N 0 3 306.797 2.127 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC(C)(F)F ZINC001374930588 1158097703 /nfs/dbraw/zinc/09/77/03/1158097703.db2.gz BMRNSZWLUWFGNN-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001375035422 1158228896 /nfs/dbraw/zinc/22/88/96/1158228896.db2.gz FYRREGXXTUHTIM-RYUDHWBXSA-N 0 3 310.829 2.019 20 30 DEEDHN C#CC[C@H](CCOC)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000859027160 685639656 /nfs/dbraw/zinc/63/96/56/685639656.db2.gz YLIWNILRMUIDON-SJORKVTESA-N 0 3 317.433 2.017 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1C ZINC000116591879 684065523 /nfs/dbraw/zinc/06/55/23/684065523.db2.gz JYVHRHFJCXHOEC-GDBMZVCRSA-N 0 3 316.401 2.350 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000119645800 684084530 /nfs/dbraw/zinc/08/45/30/684084530.db2.gz WERJTXGNKZKNHQ-WFASDCNBSA-N 0 3 316.357 2.324 20 30 DEEDHN N#CC(C(=O)CCC(=O)c1cccs1)C(=O)NC1CCCC1 ZINC000119682883 684085106 /nfs/dbraw/zinc/08/51/06/684085106.db2.gz LSURBHLCTLNJHM-LBPRGKRZSA-N 0 3 318.398 2.479 20 30 DEEDHN COCCN1[C@H](C)CN(Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000129766639 684182087 /nfs/dbraw/zinc/18/20/87/684182087.db2.gz SOICCIXHJCIKPX-GASCZTMLSA-N 0 3 317.433 2.108 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1cccs1)C2 ZINC001054074562 693832027 /nfs/dbraw/zinc/83/20/27/693832027.db2.gz QRGHHADNGVYUCJ-QGZVFWFLSA-N 0 3 302.443 2.238 20 30 DEEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccccn2)n1 ZINC000155281932 684269701 /nfs/dbraw/zinc/26/97/01/684269701.db2.gz UJXHPQGXTCUYHV-LBPRGKRZSA-N 0 3 324.340 2.225 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cnccc1C)C2 ZINC001054108938 693848332 /nfs/dbraw/zinc/84/83/32/693848332.db2.gz XMUVFZYSTBLHOI-IBGZPJMESA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1oc(C)cc1C)C2 ZINC001054111469 693849270 /nfs/dbraw/zinc/84/92/70/693849270.db2.gz WYINFDVHXZGMIE-GOSISDBHSA-N 0 3 300.402 2.458 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCOC1)C2 ZINC001054114343 693849975 /nfs/dbraw/zinc/84/99/75/693849975.db2.gz ZWXOAMJOVMLJEV-HKUYNNGSSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1sccc1F)C2 ZINC001054125638 693855622 /nfs/dbraw/zinc/85/56/22/693855622.db2.gz QMVDRNMFNLGHNX-INIZCTEOSA-N 0 3 306.406 2.449 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccnn1C(C)C)C2 ZINC001054138085 693859860 /nfs/dbraw/zinc/85/98/60/693859860.db2.gz KFQRNSDVVNZZAQ-GOSISDBHSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3cccnc31)C2 ZINC001054186665 693874814 /nfs/dbraw/zinc/87/48/14/693874814.db2.gz YYDCXRSVPOWUOL-PXNSSMCTSA-N 0 3 323.440 2.059 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C(C)C)n[nH]1)C2 ZINC001054202131 693880410 /nfs/dbraw/zinc/88/04/10/693880410.db2.gz XBMKJSCOQCGDQO-SFHVURJKSA-N 0 3 314.433 2.094 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@]1(C)CCCOC1)C2 ZINC001054220114 693887302 /nfs/dbraw/zinc/88/73/02/693887302.db2.gz CCSVDIBKCLDYMT-RTBURBONSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1coc(CCC)n1)C2 ZINC001054226977 693890506 /nfs/dbraw/zinc/89/05/06/693890506.db2.gz GVBVXFJYRSFDCL-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@]3(CCN(CC#CC)C3)C2)cn1 ZINC001054230607 693893072 /nfs/dbraw/zinc/89/30/72/693893072.db2.gz XVOMYZVTKMJPBN-FQEVSTJZSA-N 0 3 321.424 2.014 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)COc1ccccc1)C2 ZINC001054232543 693893676 /nfs/dbraw/zinc/89/36/76/693893676.db2.gz RTEDQIKCKVLKTM-LJQANCHMSA-N 0 3 312.413 2.013 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)CCc1cccs1 ZINC000193363645 685039003 /nfs/dbraw/zinc/03/90/03/685039003.db2.gz MPZLYHCSCSDIEE-AWEZNQCLSA-N 0 3 322.430 2.321 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCOCC1 ZINC000193395990 685039490 /nfs/dbraw/zinc/03/94/90/685039490.db2.gz PNNBWGNKRZUXGJ-CYBMUJFWSA-N 0 3 306.749 2.414 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cn1nc(C)c(Cl)c1C ZINC000195491718 685100492 /nfs/dbraw/zinc/10/04/92/685100492.db2.gz OYOXGLYXBMVJSG-LBPRGKRZSA-N 0 3 324.812 2.169 20 30 DEEDHN C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054324686 693931896 /nfs/dbraw/zinc/93/18/96/693931896.db2.gz QXMMHISTQMHSPW-IAQYHMDHSA-N 0 3 303.431 2.356 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929318534 693935626 /nfs/dbraw/zinc/93/56/26/693935626.db2.gz XMRSZTJUSMOFCN-RYQLBKOJSA-N 0 3 303.402 2.487 20 30 DEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281323832 685216013 /nfs/dbraw/zinc/21/60/13/685216013.db2.gz IXWKFYPZXNGZGG-ZBFHGGJFSA-N 0 3 313.401 2.418 20 30 DEEDHN CN(CCOC(=O)c1cccc(C#CCO)c1)Cc1ccccc1 ZINC000860077281 685880428 /nfs/dbraw/zinc/88/04/28/685880428.db2.gz MCFKQWZVOUZVDW-UHFFFAOYSA-N 0 3 323.392 2.319 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3nsnc32)CC1 ZINC000861594532 686154252 /nfs/dbraw/zinc/15/42/52/686154252.db2.gz LAFKHQVUDZNQRL-UHFFFAOYSA-N 0 3 317.418 2.463 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2c([nH]1)c(F)ccc2C ZINC000861837384 686191105 /nfs/dbraw/zinc/19/11/05/686191105.db2.gz BQYBEQDIEUAONW-UHFFFAOYSA-N 0 3 301.365 2.300 20 30 DEEDHN C#CC[C@H]1CCN(Cc2cc3c(cc2OCCOC)OCO3)C1 ZINC000862443252 686303359 /nfs/dbraw/zinc/30/33/59/686303359.db2.gz MYQXKJUJZIACTP-AWEZNQCLSA-N 0 3 317.385 2.286 20 30 DEEDHN N#CCOc1ccccc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863034916 686423306 /nfs/dbraw/zinc/42/33/06/686423306.db2.gz PSLBGRXQNXCUOP-HNNXBMFYSA-N 0 3 313.401 2.336 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054676898 694022409 /nfs/dbraw/zinc/02/24/09/694022409.db2.gz HWBDSKPWNCVNBF-ABAIWWIYSA-N 0 3 314.414 2.198 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001015831376 687435654 /nfs/dbraw/zinc/43/56/54/687435654.db2.gz SUQARLHMWZJRRZ-ZDUSSCGKSA-N 0 3 317.364 2.276 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001015947254 687475979 /nfs/dbraw/zinc/47/59/79/687475979.db2.gz LLNIUVBGNVRTPV-MRXNPFEDSA-N 0 3 311.360 2.201 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001015955148 687480362 /nfs/dbraw/zinc/48/03/62/687480362.db2.gz BWFSZAPJAPFACC-INIZCTEOSA-N 0 3 314.433 2.216 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)cn1 ZINC001016032063 687504718 /nfs/dbraw/zinc/50/47/18/687504718.db2.gz VBHBEGUZAKSULN-GOSISDBHSA-N 0 3 309.413 2.367 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)cn1 ZINC001016031943 687504756 /nfs/dbraw/zinc/50/47/56/687504756.db2.gz ULMYEKCNLGZIAB-LJQANCHMSA-N 0 3 319.408 2.110 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(CCCF)C2)cc1 ZINC001016355927 687599423 /nfs/dbraw/zinc/59/94/23/687599423.db2.gz CGGNFEBFKAXMQH-INIZCTEOSA-N 0 3 320.408 2.344 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001016398839 687611853 /nfs/dbraw/zinc/61/18/53/687611853.db2.gz YDSYPTRINQBELW-LPHOPBHVSA-N 0 3 314.429 2.241 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001016655457 687675573 /nfs/dbraw/zinc/67/55/73/687675573.db2.gz XYARZIJIHVZGNX-KBPBESRZSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001016707956 687687092 /nfs/dbraw/zinc/68/70/92/687687092.db2.gz ARUXQFQCPPAGSO-KRWDZBQOSA-N 0 3 309.413 2.177 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3cccnc32)CC1 ZINC001016714513 687688862 /nfs/dbraw/zinc/68/88/62/687688862.db2.gz IVIFQWOJKSXGQQ-KRWDZBQOSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001016755025 687696563 /nfs/dbraw/zinc/69/65/63/687696563.db2.gz UMMBURZVEPLTDP-ZIAGYGMSSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(F)ccc(F)c2F)CC1 ZINC001016802400 687705963 /nfs/dbraw/zinc/70/59/63/687705963.db2.gz GMMBPQZFGQFYDH-ZDUSSCGKSA-N 0 3 322.330 2.321 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001016803240 687706462 /nfs/dbraw/zinc/70/64/62/687706462.db2.gz NXIQBXWIUMVZFW-KRWDZBQOSA-N 0 3 307.397 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](F)c2ccccc2)CC1 ZINC001016855494 687719604 /nfs/dbraw/zinc/71/96/04/687719604.db2.gz SHCPNEGKIPMCLL-CVEARBPZSA-N 0 3 300.377 2.301 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](F)c2ccccc2)CC1 ZINC001016855496 687720090 /nfs/dbraw/zinc/72/00/90/687720090.db2.gz SHCPNEGKIPMCLL-HOTGVXAUSA-N 0 3 300.377 2.301 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001016867988 687722465 /nfs/dbraw/zinc/72/24/65/687722465.db2.gz OMZZNJPSYYRQFV-XJKSGUPXSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cnoc2C(C)C)CC1 ZINC001016904398 687731486 /nfs/dbraw/zinc/73/14/86/687731486.db2.gz BAHYNLDPZDOLLX-HNNXBMFYSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3ccn(C)c3c2)CC1 ZINC001016912446 687732210 /nfs/dbraw/zinc/73/22/10/687732210.db2.gz CBCHVVMPRIBBNO-SFHVURJKSA-N 0 3 321.424 2.396 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001016928295 687735384 /nfs/dbraw/zinc/73/53/84/687735384.db2.gz VNLJFBSUSJWHGA-QGZVFWFLSA-N 0 3 311.429 2.111 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2scnc2Cl)CC1 ZINC001016977413 687747365 /nfs/dbraw/zinc/74/73/65/687747365.db2.gz VUPRHQKFRAUZQN-NSHDSACASA-N 0 3 323.849 2.404 20 30 DEEDHN C#CCCCS(=O)(=O)N(CC(C)C)CC1CCN(C)CC1 ZINC000867864281 687813606 /nfs/dbraw/zinc/81/36/06/687813606.db2.gz TYZNSIPWHJNNJC-UHFFFAOYSA-N 0 3 314.495 2.029 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)c1 ZINC001017428301 687886676 /nfs/dbraw/zinc/88/66/76/687886676.db2.gz FVCGBRZPLQJVAK-IYBDPMFKSA-N 0 3 302.422 2.158 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)C2 ZINC000868037816 687887421 /nfs/dbraw/zinc/88/74/21/687887421.db2.gz INEGSTJABYGPCK-MSOLQXFVSA-N 0 3 311.429 2.439 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cnc[nH]1 ZINC001018179162 688072282 /nfs/dbraw/zinc/07/22/82/688072282.db2.gz DESZEWDXOUILNO-GASCZTMLSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCOCC1 ZINC001018352119 688115650 /nfs/dbraw/zinc/11/56/50/688115650.db2.gz ANUWAPQTLAZGOY-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCCCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868750993 688126134 /nfs/dbraw/zinc/12/61/34/688126134.db2.gz FAVICGOMOPDCRK-UHFFFAOYSA-N 0 3 322.497 2.154 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)c1 ZINC001018683331 688206188 /nfs/dbraw/zinc/20/61/88/688206188.db2.gz ZHRBNTDCMYBMCX-HNNXBMFYSA-N 0 3 312.348 2.030 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C=C3CCC3)C2)s1 ZINC001018704200 688212732 /nfs/dbraw/zinc/21/27/32/688212732.db2.gz IRLKBGNCPJVCAI-ZDUSSCGKSA-N 0 3 301.415 2.421 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)COc2cccc(C(C)C)c2)C1 ZINC001018895328 688248086 /nfs/dbraw/zinc/24/80/86/688248086.db2.gz LZKCTILQPYAVTA-INIZCTEOSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001019285174 688320616 /nfs/dbraw/zinc/32/06/16/688320616.db2.gz DENGCANSYSADFO-QJPTWQEYSA-N 0 3 308.834 2.329 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001020079899 688460129 /nfs/dbraw/zinc/46/01/29/688460129.db2.gz KCDKMXGZTRAQSB-RBSFLKMASA-N 0 3 315.392 2.480 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001020176200 688479141 /nfs/dbraw/zinc/47/91/41/688479141.db2.gz PXOCDEABWOGSCY-JOCQHMNTSA-N 0 3 316.792 2.233 20 30 DEEDHN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000870143388 688497287 /nfs/dbraw/zinc/49/72/87/688497287.db2.gz UQNBWPSCEYVBFE-QMTHXVAHSA-N 0 3 316.332 2.022 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001028007072 688532171 /nfs/dbraw/zinc/53/21/71/688532171.db2.gz DUMWCSICMJHVAY-WBVHZDCISA-N 0 3 300.402 2.147 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)nc1N ZINC000930650231 694210029 /nfs/dbraw/zinc/21/00/29/694210029.db2.gz LIFPAMWVILOQJN-MNOVXSKESA-N 0 3 312.211 2.250 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001028631476 688541125 /nfs/dbraw/zinc/54/11/25/688541125.db2.gz JQGZSCXUWFRWRC-VNQPRFMTSA-N 0 3 302.443 2.313 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001029012464 688548837 /nfs/dbraw/zinc/54/88/37/688548837.db2.gz LWIPAJDDNGBXCF-FHLIZLRMSA-N 0 3 314.404 2.391 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001029001343 688548865 /nfs/dbraw/zinc/54/88/65/688548865.db2.gz VJXTYKYFRCDIMV-LBPRGKRZSA-N 0 3 306.793 2.034 20 30 DEEDHN CC[C@@H](C[NH+](C)C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000870552348 688593909 /nfs/dbraw/zinc/59/39/09/688593909.db2.gz PUFNBTBDGMIBGC-ZDUSSCGKSA-N 0 3 319.405 2.092 20 30 DEEDHN CCC(C#N)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC000871146886 688735140 /nfs/dbraw/zinc/73/51/40/688735140.db2.gz DZWHLUYKBSOXFU-WBMJQRKESA-N 0 3 322.792 2.480 20 30 DEEDHN Cc1ccc(CN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)cc1C ZINC001031621394 688965517 /nfs/dbraw/zinc/96/55/17/688965517.db2.gz ZMVCPXZJHUZZSM-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN C=CCn1cccc1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031732966 688988140 /nfs/dbraw/zinc/98/81/40/688988140.db2.gz GMCOKYLOKGPGEL-UHFFFAOYSA-N 0 3 323.387 2.381 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001031745643 688990089 /nfs/dbraw/zinc/99/00/89/688990089.db2.gz QJOFVZZSVSRTSP-ZIAGYGMSSA-N 0 3 316.367 2.426 20 30 DEEDHN COC(=O)CCN1CCC(=NNC[C@@H]2CCCC2(F)F)CC1 ZINC000872405457 688994009 /nfs/dbraw/zinc/99/40/09/688994009.db2.gz LRFQMHLTCSFWDQ-LBPRGKRZSA-N 0 3 317.380 2.026 20 30 DEEDHN CCOc1cc(CN=Nc2cc(C)nc(N)n2)c(F)cc1OC ZINC000872421328 688997353 /nfs/dbraw/zinc/99/73/53/688997353.db2.gz GEQZGSYJOOMFJH-UHFFFAOYSA-N 0 3 319.340 2.360 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001031801747 688999794 /nfs/dbraw/zinc/99/97/94/688999794.db2.gz GAOVYNAXFJQPBI-UONOGXRCSA-N 0 3 316.367 2.426 20 30 DEEDHN C=CCN1CCC(Nc2nc(Cl)nc3c2cnn3C)CC1 ZINC000872446840 689002956 /nfs/dbraw/zinc/00/29/56/689002956.db2.gz SKXDFMVIDGOHFI-UHFFFAOYSA-N 0 3 306.801 2.079 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001031917222 689020084 /nfs/dbraw/zinc/02/00/84/689020084.db2.gz RIQJVPDDLWLKKQ-UHFFFAOYSA-N 0 3 311.360 2.059 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001032095720 689061981 /nfs/dbraw/zinc/06/19/81/689061981.db2.gz AZTDVEIPFAMPLT-UHFFFAOYSA-N 0 3 309.369 2.027 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001032216974 689085395 /nfs/dbraw/zinc/08/53/95/689085395.db2.gz PKPUHGLKIWTPSA-DLBZAZTESA-N 0 3 300.377 2.001 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000930864762 694257981 /nfs/dbraw/zinc/25/79/81/694257981.db2.gz IZQVXWOMAVTILA-ZDUSSCGKSA-N 0 3 302.378 2.125 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc2ccc(C)cc21 ZINC001032586280 689194387 /nfs/dbraw/zinc/19/43/87/689194387.db2.gz PWDPVFGXWTYSLL-HOTGVXAUSA-N 0 3 324.428 2.206 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032607574 689199703 /nfs/dbraw/zinc/19/97/03/689199703.db2.gz XBMJYKFHNLRKGG-BQFCYCMXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1CC ZINC001032627303 689206739 /nfs/dbraw/zinc/20/67/39/689206739.db2.gz URWSQUFKBXBMSK-GJZGRUSLSA-N 0 3 301.434 2.452 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nsnc21 ZINC001032709400 689231748 /nfs/dbraw/zinc/23/17/48/689231748.db2.gz CENRKJOPVBKGBS-RYUDHWBXSA-N 0 3 314.414 2.166 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(F)c1 ZINC001032780303 689258929 /nfs/dbraw/zinc/25/89/29/689258929.db2.gz DMYAHNGEJZCCBK-HOTGVXAUSA-N 0 3 318.392 2.456 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1nc(C)cc1C ZINC001032784257 689260099 /nfs/dbraw/zinc/26/00/99/689260099.db2.gz OXDZNFYZHBQXBO-IKGGRYGDSA-N 0 3 316.449 2.312 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033075722 689377176 /nfs/dbraw/zinc/37/71/76/689377176.db2.gz HSLXAUGEDCTXIZ-ZDUSSCGKSA-N 0 3 313.426 2.466 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccnn2CC2CCC2)C1 ZINC001033088313 689382603 /nfs/dbraw/zinc/38/26/03/689382603.db2.gz UTHVQLKVGZZFCW-MRXNPFEDSA-N 0 3 316.449 2.406 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3c2OCCO3)C1 ZINC001033125379 689398188 /nfs/dbraw/zinc/39/81/88/689398188.db2.gz CFUGDHCTXFVUMN-CQSZACIVSA-N 0 3 316.401 2.180 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001033125428 689398294 /nfs/dbraw/zinc/39/82/94/689398294.db2.gz DRTAOHJECWIROI-HNNXBMFYSA-N 0 3 316.449 2.116 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001033131583 689400382 /nfs/dbraw/zinc/40/03/82/689400382.db2.gz IBROWCAVUJNTED-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cncc3ccccc32)C1 ZINC001033166426 689410559 /nfs/dbraw/zinc/41/05/59/689410559.db2.gz UBZGIIGZFJNFNP-SFHVURJKSA-N 0 3 321.424 2.333 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)nc3sccn32)C1 ZINC001033190047 689418395 /nfs/dbraw/zinc/41/83/95/689418395.db2.gz DZHPNYIMZMXBIO-CYBMUJFWSA-N 0 3 318.446 2.427 20 30 DEEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033241617 689435408 /nfs/dbraw/zinc/43/54/08/689435408.db2.gz YMFOPDOEMXICBU-LBPRGKRZSA-N 0 3 308.451 2.213 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2nncc3ccccc32)C1 ZINC001033255015 689439926 /nfs/dbraw/zinc/43/99/26/689439926.db2.gz IDUNOKPKWLJHSC-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2onc3c2CCCC3)C1 ZINC001033270548 689445309 /nfs/dbraw/zinc/44/53/09/689445309.db2.gz HBBKCQLKJVNGKH-ZDUSSCGKSA-N 0 3 303.406 2.276 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001033355738 689475102 /nfs/dbraw/zinc/47/51/02/689475102.db2.gz NPEIFSDAQXPWSB-HNNXBMFYSA-N 0 3 317.433 2.055 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386668 689483986 /nfs/dbraw/zinc/48/39/86/689483986.db2.gz CHPVZISLDRXTLM-CYBMUJFWSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(COC)c2)C1 ZINC001033408730 689491628 /nfs/dbraw/zinc/49/16/28/689491628.db2.gz CHOZTYGHECFHJH-MRXNPFEDSA-N 0 3 318.392 2.142 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874822578 689499850 /nfs/dbraw/zinc/49/98/50/689499850.db2.gz CAIUYOAZLQYUKL-ZTFGCOKTSA-N 0 3 311.429 2.432 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001033470370 689512731 /nfs/dbraw/zinc/51/27/31/689512731.db2.gz WHSKNMSNZAFDON-QGZVFWFLSA-N 0 3 314.404 2.413 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874846940 689516558 /nfs/dbraw/zinc/51/65/58/689516558.db2.gz LUYRTWKXENIZFN-RRQGHBQHSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001033488498 689519454 /nfs/dbraw/zinc/51/94/54/689519454.db2.gz VAHQBXOGNGIUHY-KRWDZBQOSA-N 0 3 312.413 2.421 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001033507816 689524808 /nfs/dbraw/zinc/52/48/08/689524808.db2.gz LAQGKOISHMBSPE-INIZCTEOSA-N 0 3 312.417 2.145 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001033506720 689525065 /nfs/dbraw/zinc/52/50/65/689525065.db2.gz YQKRJGGPTVDJKI-WFASDCNBSA-N 0 3 304.438 2.239 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001033513879 689527071 /nfs/dbraw/zinc/52/70/71/689527071.db2.gz UWVZHDRYGBTYMP-CABCVRRESA-N 0 3 302.393 2.485 20 30 DEEDHN CCOC(=O)c1c[nH]nc1[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000931005340 694292348 /nfs/dbraw/zinc/29/23/48/694292348.db2.gz AHUCKUWDOWMPIH-HNNXBMFYSA-N 0 3 324.384 2.448 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2nn(C)c3ccccc32)C1 ZINC001033591655 689553710 /nfs/dbraw/zinc/55/37/10/689553710.db2.gz YRUSFTHMIIEKBD-AWEZNQCLSA-N 0 3 312.417 2.296 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnn(CC(C)C)c2C)C1 ZINC001033624933 689563646 /nfs/dbraw/zinc/56/36/46/689563646.db2.gz RSMXYFYJEDFBJR-MRXNPFEDSA-N 0 3 316.449 2.017 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000875107205 689572858 /nfs/dbraw/zinc/57/28/58/689572858.db2.gz OIQSRGUTFWJPQU-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2csc3nccn23)C1 ZINC001033662266 689576751 /nfs/dbraw/zinc/57/67/51/689576751.db2.gz UXZFNTWFSOCBNP-CYBMUJFWSA-N 0 3 318.446 2.047 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001033666477 689577097 /nfs/dbraw/zinc/57/70/97/689577097.db2.gz DBFNNWLUSPNKLO-HNNXBMFYSA-N 0 3 316.449 2.116 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cn2ccc3ccccc32)C1 ZINC001033677018 689581359 /nfs/dbraw/zinc/58/13/59/689581359.db2.gz WXJSJCFLFKVUJQ-QGZVFWFLSA-N 0 3 309.413 2.197 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(OCC)c2)C1 ZINC001033691207 689585686 /nfs/dbraw/zinc/58/56/86/689585686.db2.gz KEZYWNLNCFMXPG-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001033706470 689589634 /nfs/dbraw/zinc/58/96/34/689589634.db2.gz GWKWOYVLRONQFU-XJKSGUPXSA-N 0 3 318.465 2.249 20 30 DEEDHN C=CCN1CCC(NC(=O)NC(C)(C)[C@H]2CCCCO2)CC1 ZINC000875246275 689595274 /nfs/dbraw/zinc/59/52/74/689595274.db2.gz BRYQPYUUEMSTLO-OAHLLOKOSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cc(OC)ns2)C1 ZINC001033835568 689632400 /nfs/dbraw/zinc/63/24/00/689632400.db2.gz ZOKQZOHAMNJNFN-LBPRGKRZSA-N 0 3 309.435 2.264 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cn(C)nc2CC)C1 ZINC001033869889 689645134 /nfs/dbraw/zinc/64/51/34/689645134.db2.gz OYBQUCFLHDXQNF-CQSZACIVSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC001033870973 689645350 /nfs/dbraw/zinc/64/53/50/689645350.db2.gz GMDVQEVFXKIRSD-HNNXBMFYSA-N 0 3 313.405 2.070 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001033874020 689646330 /nfs/dbraw/zinc/64/63/30/689646330.db2.gz UHVSGOOQENZHTR-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033900049 689655346 /nfs/dbraw/zinc/65/53/46/689655346.db2.gz MKSATFUNTZZQLV-BBWFWOEESA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2coc(C3CC3)n2)C1 ZINC001033983177 689684015 /nfs/dbraw/zinc/68/40/15/689684015.db2.gz YOXVFPHMUMMYNL-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(N(C)C)c2)C1 ZINC001034025674 689697513 /nfs/dbraw/zinc/69/75/13/689697513.db2.gz JSUQCKYFCHASJM-SFHVURJKSA-N 0 3 313.445 2.312 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001034051344 689707099 /nfs/dbraw/zinc/70/70/99/689707099.db2.gz VKWLKIRGOLBZFO-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034132269 689739767 /nfs/dbraw/zinc/73/97/67/689739767.db2.gz QOPHKHMWQBHZCW-CYBMUJFWSA-N 0 3 310.829 2.363 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034208111 689763772 /nfs/dbraw/zinc/76/37/72/689763772.db2.gz VRRUXOALYFAONR-KRWDZBQOSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001034212806 689764395 /nfs/dbraw/zinc/76/43/95/689764395.db2.gz NLSJAWHXQLDFND-IKGGRYGDSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001034214856 689765582 /nfs/dbraw/zinc/76/55/82/689765582.db2.gz LGWKITSKNDQXNC-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ncnc3sccc32)C1 ZINC001034220625 689768963 /nfs/dbraw/zinc/76/89/63/689768963.db2.gz UWTMEOBBXTZFLX-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001034228408 689771675 /nfs/dbraw/zinc/77/16/75/689771675.db2.gz DWMQLXOAJKQJDD-OAHLLOKOSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC001034254336 689783793 /nfs/dbraw/zinc/78/37/93/689783793.db2.gz PRLUHQGVCNEBSX-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC001034282976 689794013 /nfs/dbraw/zinc/79/40/13/689794013.db2.gz SGMRCZCURWXXSW-HNNXBMFYSA-N 0 3 308.401 2.013 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001034297131 689799824 /nfs/dbraw/zinc/79/98/24/689799824.db2.gz OBLQZPDTCHTITP-WBVHZDCISA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2nncc3ccccc32)C1 ZINC001034305475 689802500 /nfs/dbraw/zinc/80/25/00/689802500.db2.gz IZBZRAUTWUIZBL-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034307277 689803756 /nfs/dbraw/zinc/80/37/56/689803756.db2.gz TVJBLQGVZNXPIT-JZXOWHBKSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001034307059 689804020 /nfs/dbraw/zinc/80/40/20/689804020.db2.gz QZFRXTDRKGYBKZ-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001034397324 689836068 /nfs/dbraw/zinc/83/60/68/689836068.db2.gz KGZPVXCQKVCZPT-HUUCEWRRSA-N 0 3 313.873 2.194 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001034403763 689837114 /nfs/dbraw/zinc/83/71/14/689837114.db2.gz BJTOWKWBRCUGLN-WMZOPIPTSA-N 0 3 313.445 2.343 20 30 DEEDHN C=CCn1cc(C(=O)N[C@H]2CCCCN(CC=C(C)C)C2)nn1 ZINC001034430935 689847559 /nfs/dbraw/zinc/84/75/59/689847559.db2.gz CEFSKIWMBUTFDY-HNNXBMFYSA-N 0 3 317.437 2.015 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(CC)c2C)C1 ZINC001034461779 689857604 /nfs/dbraw/zinc/85/76/04/689857604.db2.gz PTMWXJRZXQIZNN-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000876563636 689858419 /nfs/dbraw/zinc/85/84/19/689858419.db2.gz BKFWZSYWJXWLEU-GXFFZTMASA-N 0 3 312.797 2.351 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001034462577 689858593 /nfs/dbraw/zinc/85/85/93/689858593.db2.gz KDVPCRCNJNERKZ-ZDUSSCGKSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000876573058 689861581 /nfs/dbraw/zinc/86/15/81/689861581.db2.gz UDEIWZHROOKJDL-AWEZNQCLSA-N 0 3 323.824 2.367 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000876577084 689863472 /nfs/dbraw/zinc/86/34/72/689863472.db2.gz QJOHPVGVEVHJTK-GFCCVEGCSA-N 0 3 309.797 2.233 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034473620 689864358 /nfs/dbraw/zinc/86/43/58/689864358.db2.gz JYHHGQDSXBLKSV-NSHDSACASA-N 0 3 311.838 2.404 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1ccc(OC)cc1 ZINC000876593125 689869078 /nfs/dbraw/zinc/86/90/78/689869078.db2.gz LSKUDXKPDCOOFT-SMDDNHRTSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034487901 689870588 /nfs/dbraw/zinc/87/05/88/689870588.db2.gz SRVLWPTYHZQOEJ-ZBFHGGJFSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2OC)CC1 ZINC000876636943 689884579 /nfs/dbraw/zinc/88/45/79/689884579.db2.gz GZCUWLZHFTZYSW-CYBMUJFWSA-N 0 3 308.809 2.313 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCC)c(F)c1 ZINC000876649516 689889148 /nfs/dbraw/zinc/88/91/48/689889148.db2.gz YEOZRAQRGVROAH-LBPRGKRZSA-N 0 3 300.761 2.311 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001034541418 689892189 /nfs/dbraw/zinc/89/21/89/689892189.db2.gz QFCIKQXYUXUAAC-ZDUSSCGKSA-N 0 3 307.463 2.405 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000876663139 689893475 /nfs/dbraw/zinc/89/34/75/689893475.db2.gz WXZGUASAQIOMLO-SECBINFHSA-N 0 3 305.856 2.211 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000876682561 689900648 /nfs/dbraw/zinc/90/06/48/689900648.db2.gz JVETUBKLHIQQFD-ZWNOBZJWSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCn1cnc2ccccc21 ZINC000876712311 689912396 /nfs/dbraw/zinc/91/23/96/689912396.db2.gz FQEUGNLMHDPQFI-LBPRGKRZSA-N 0 3 306.797 2.013 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC000876720010 689914367 /nfs/dbraw/zinc/91/43/67/689914367.db2.gz ABCPYGPSCPUDFB-ZDUSSCGKSA-N 0 3 310.829 2.014 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCN1CCCc2ccccc21 ZINC000876730233 689918249 /nfs/dbraw/zinc/91/82/49/689918249.db2.gz DGNUGDHXUHVJDL-AWEZNQCLSA-N 0 3 307.825 2.025 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000876905275 689969405 /nfs/dbraw/zinc/96/94/05/689969405.db2.gz RMFXWIQTFFWTBY-NSHDSACASA-N 0 3 309.753 2.262 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001035035367 690015887 /nfs/dbraw/zinc/01/58/87/690015887.db2.gz LPKOGJYRKRKJGU-SJLPKXTDSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)c1cccc2c1CNC2)C(=O)OCC ZINC000877144732 690028714 /nfs/dbraw/zinc/02/87/14/690028714.db2.gz UFFRIJLGMDSTNS-AWEZNQCLSA-N 0 3 322.792 2.094 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)OCC ZINC000877144389 690029154 /nfs/dbraw/zinc/02/91/54/690029154.db2.gz LTYGPFRSNZECQQ-KBPBESRZSA-N 0 3 324.808 2.267 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000877202757 690044613 /nfs/dbraw/zinc/04/46/13/690044613.db2.gz GFDRUPJHGYDYGQ-QWHCGFSZSA-N 0 3 300.830 2.312 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000877238816 690053752 /nfs/dbraw/zinc/05/37/52/690053752.db2.gz CTGIGKRZAKJVDJ-KBPBESRZSA-N 0 3 312.772 2.275 20 30 DEEDHN N#Cc1cccc([C@H](NC(=O)[C@H](N)CC(F)F)C(F)(F)F)c1 ZINC000877291394 690067890 /nfs/dbraw/zinc/06/78/90/690067890.db2.gz HISLGBJWOITIJV-KOLCDFICSA-N 0 3 321.249 2.260 20 30 DEEDHN CCOC(=O)N1CCC(C)(CNCc2ccc(C#N)cn2)CC1 ZINC000877460124 690119737 /nfs/dbraw/zinc/11/97/37/690119737.db2.gz PRIDZDYXWPTITO-UHFFFAOYSA-N 0 3 316.405 2.301 20 30 DEEDHN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC000877466015 690121359 /nfs/dbraw/zinc/12/13/59/690121359.db2.gz DLOBPAOHXHAXKB-SWLSCSKDSA-N 0 3 301.390 2.008 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000877567630 690154279 /nfs/dbraw/zinc/15/42/79/690154279.db2.gz ZIVZGNGBMYIUHP-LSDHHAIUSA-N 0 3 305.809 2.493 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1[nH]ccc1C1CC1)CC2 ZINC001035717977 690159294 /nfs/dbraw/zinc/15/92/94/690159294.db2.gz AQIUUTARQYGMGK-UHFFFAOYSA-N 0 3 311.429 2.453 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cncc(Cl)c1)CC2 ZINC001035816823 690184317 /nfs/dbraw/zinc/18/43/17/690184317.db2.gz SMIFVRZVXXOSAD-UHFFFAOYSA-N 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CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nccs1 ZINC001037839884 690620843 /nfs/dbraw/zinc/62/08/43/690620843.db2.gz OQFJFTRCWLRDMR-CABCVRRESA-N 0 3 317.458 2.273 20 30 DEEDHN CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1cscn1 ZINC001037851006 690623134 /nfs/dbraw/zinc/62/31/34/690623134.db2.gz VCDIOMRHEILHBA-GDBMZVCRSA-N 0 3 317.458 2.273 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000879350345 690625125 /nfs/dbraw/zinc/62/51/25/690625125.db2.gz DFVCJTVJHLUJDI-KRWDZBQOSA-N 0 3 302.418 2.126 20 30 DEEDHN CO[C@H]1CC[C@H](N2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000879591026 690682540 /nfs/dbraw/zinc/68/25/40/690682540.db2.gz OVZARNRLGPYVBC-HOTGVXAUSA-N 0 3 303.381 2.387 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879604383 690686316 /nfs/dbraw/zinc/68/63/16/690686316.db2.gz VLJQMYMNIUDFGO-QGZVFWFLSA-N 0 3 318.417 2.314 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649195 690699401 /nfs/dbraw/zinc/69/94/01/690699401.db2.gz 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CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cscn2)C1 ZINC001039192624 691046284 /nfs/dbraw/zinc/04/62/84/691046284.db2.gz GEQSOVPXTOFGQA-ZBFHGGJFSA-N 0 3 317.458 2.483 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cncs2)C1 ZINC001039208128 691054347 /nfs/dbraw/zinc/05/43/47/691054347.db2.gz KKNCMIGVUQLSRO-LSDHHAIUSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2occc2C)C1 ZINC001039230770 691062305 /nfs/dbraw/zinc/06/23/05/691062305.db2.gz PYOBVWWRDSOOBG-IAGOWNOFSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccnc(C)c2)C1 ZINC001039249175 691068719 /nfs/dbraw/zinc/06/87/19/691068719.db2.gz YEXWGUPNWLGCOU-ROUUACIJSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccn2cn1 ZINC001039393203 691096144 /nfs/dbraw/zinc/09/61/44/691096144.db2.gz VPRTWASTYQREDP-WBVHZDCISA-N 0 3 322.412 2.037 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2ccnc12 ZINC001039451187 691109143 /nfs/dbraw/zinc/10/91/43/691109143.db2.gz 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DEEDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924738646 693179390 /nfs/dbraw/zinc/17/93/90/693179390.db2.gz SCGUTWGCQOQCIE-LBPRGKRZSA-N 0 3 309.435 2.013 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(Cl)o3)C2)CC1 ZINC001050431883 693181961 /nfs/dbraw/zinc/18/19/61/693181961.db2.gz FJYBOEGXJGHKHY-UHFFFAOYSA-N 0 3 306.793 2.494 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cccc(C)c3F)C2)CC1 ZINC001050527117 693200200 /nfs/dbraw/zinc/20/02/00/693200200.db2.gz DMRKQGDWBRKUJG-UHFFFAOYSA-N 0 3 300.377 2.305 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC2(C1)CCN(CC#CC)CC2 ZINC001050545368 693204599 /nfs/dbraw/zinc/20/45/99/693204599.db2.gz CITIZJOMEKQEPY-UHFFFAOYSA-N 0 3 311.429 2.235 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cccc(COC)c3)C2)CC1 ZINC001050583437 693211191 /nfs/dbraw/zinc/21/11/91/693211191.db2.gz JPXYSAXBVWRGDZ-UHFFFAOYSA-N 0 3 312.413 2.004 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3c(F)cc(C)cc3F)C2)CC1 ZINC001050585995 693211479 /nfs/dbraw/zinc/21/14/79/693211479.db2.gz DGOPNWQIRHNBMF-UHFFFAOYSA-N 0 3 318.367 2.444 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC001050660395 693226246 /nfs/dbraw/zinc/22/62/46/693226246.db2.gz NLTDABOVPLYOSL-AWEZNQCLSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H](CC)OC3CCCC3)C2)CC1 ZINC001050683663 693231663 /nfs/dbraw/zinc/23/16/63/693231663.db2.gz REXIUYLMFUTISR-QGZVFWFLSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3oc(C(C)C)nc3C)C2)CC1 ZINC001050693100 693233522 /nfs/dbraw/zinc/23/35/22/693233522.db2.gz UGELLOAMDFKWIJ-UHFFFAOYSA-N 0 3 315.417 2.278 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H](C)Cc3ccccc3)C2)CC1 ZINC001050762120 693245702 /nfs/dbraw/zinc/24/57/02/693245702.db2.gz ATOFJCONSNJEME-KRWDZBQOSA-N 0 3 310.441 2.423 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCN1C ZINC000925324144 693256201 /nfs/dbraw/zinc/25/62/01/693256201.db2.gz UZBUPZBLPQRTLU-CXAGYDPISA-N 0 3 312.417 2.325 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)c3cc(C)no3)cccc2C1 ZINC001051279501 693326751 /nfs/dbraw/zinc/32/67/51/693326751.db2.gz 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/nfs/dbraw/zinc/53/63/39/693536339.db2.gz DBPLPEVPKGYUNC-JKSUJKDBSA-N 0 3 306.431 2.312 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccsc2COC)CC1 ZINC001052492243 693547761 /nfs/dbraw/zinc/54/77/61/693547761.db2.gz CHFNFGNVAWLMAR-ZDUSSCGKSA-N 0 3 306.431 2.112 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cnoc2-c2ccco2)CC1 ZINC001052500914 693550662 /nfs/dbraw/zinc/55/06/62/693550662.db2.gz RSOJZQLITXLLRI-ZDUSSCGKSA-N 0 3 313.357 2.152 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(C)n([C@H](C)CC)n2)CC1 ZINC001052512508 693554541 /nfs/dbraw/zinc/55/45/41/693554541.db2.gz LXEQOVSYCKNTJQ-GDBMZVCRSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC001052659557 693591245 /nfs/dbraw/zinc/59/12/45/693591245.db2.gz OVEUCQQOQNBGOY-DOTOQJQBSA-N 0 3 300.377 2.069 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2c(F)cccc2F)CC1 ZINC001052666827 693593046 /nfs/dbraw/zinc/59/30/46/693593046.db2.gz YXXJUMICACSUJR-CYBMUJFWSA-N 0 3 306.356 2.111 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2ccncc2Cl)CC1 ZINC001052712261 693600786 /nfs/dbraw/zinc/60/07/86/693600786.db2.gz GJOQZSPZWMRYJP-HNNXBMFYSA-N 0 3 319.836 2.272 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001052737141 693606837 /nfs/dbraw/zinc/60/68/37/693606837.db2.gz HCZFFYRPWOJRGJ-AWEZNQCLSA-N 0 3 302.422 2.141 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccn(C(CC)CC)n2)CC1 ZINC001052766650 693615332 /nfs/dbraw/zinc/61/53/32/693615332.db2.gz JUXIZJOEXAICKO-HNNXBMFYSA-N 0 3 316.449 2.462 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2sc(CC)nc2C)CC1 ZINC001052789538 693619895 /nfs/dbraw/zinc/61/98/95/693619895.db2.gz YJKFKMCZUINZBP-ZDUSSCGKSA-N 0 3 305.447 2.231 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC001052836884 693629372 /nfs/dbraw/zinc/62/93/72/693629372.db2.gz NJJTUBQXOJGVNZ-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2oc(CC)nc2C)CC1 ZINC001052845786 693632853 /nfs/dbraw/zinc/63/28/53/693632853.db2.gz HGHRMHHSKIJMIN-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cnn([C@H](C)CC)c2C)CC1 ZINC001052849844 693633498 /nfs/dbraw/zinc/63/34/98/693633498.db2.gz GNPBQFZJNLZNRA-GDBMZVCRSA-N 0 3 316.449 2.380 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCCN(CC#CC)CC1 ZINC001052897824 693643702 /nfs/dbraw/zinc/64/37/02/693643702.db2.gz NVFBANPBZVHYPD-IBGZPJMESA-N 0 3 308.425 2.204 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2sc(C)nc2C)CC1 ZINC001052919765 693648664 /nfs/dbraw/zinc/64/86/64/693648664.db2.gz OILPKKMUDVXOOE-AWEZNQCLSA-N 0 3 305.447 2.368 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC001052938776 693651980 /nfs/dbraw/zinc/65/19/80/693651980.db2.gz CRASJXBWFWKSBD-HNNXBMFYSA-N 0 3 316.449 2.164 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC001052969310 693658597 /nfs/dbraw/zinc/65/85/97/693658597.db2.gz LSZFFFUPTKNYQV-IRXDYDNUSA-N 0 3 316.449 2.055 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2COc3ccccc32)CC1 ZINC001052973671 693659800 /nfs/dbraw/zinc/65/98/00/693659800.db2.gz CMQDEUXJOXDISW-DOTOQJQBSA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cocn2)C1 ZINC001053073817 693684160 /nfs/dbraw/zinc/68/41/60/693684160.db2.gz YRQYSAFZDBLOME-GDBMZVCRSA-N 0 3 301.390 2.015 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2coc(C)n2)C1 ZINC001053076742 693684620 /nfs/dbraw/zinc/68/46/20/693684620.db2.gz SQXUNBVXYGASNY-RDJZCZTQSA-N 0 3 315.417 2.323 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2csc(C)n2)C1 ZINC001370524486 1149804837 /nfs/dbraw/zinc/80/48/37/1149804837.db2.gz OABVOMRUGXBJIQ-JOCQHMNTSA-N 0 3 313.854 2.373 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(C)C ZINC001332720762 1149884428 /nfs/dbraw/zinc/88/44/28/1149884428.db2.gz WDVQJTCNVLUWDT-ALYAQQCSSA-N 0 3 306.450 2.155 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)C1CC(NCc2cncs2)C1 ZINC001333071669 1149984963 /nfs/dbraw/zinc/98/49/63/1149984963.db2.gz YHEPCYSTUUFBCG-UHFFFAOYSA-N 0 3 305.447 2.272 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)CCOCC3CC3)CC2)CC1 ZINC001333179926 1150011314 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C=C(Br)CN[C@@H](C)CCNC(=O)Cc1ccoc1 ZINC001381189990 1152943996 /nfs/dbraw/zinc/94/39/96/1152943996.db2.gz FQEIBTBVJAOMJY-NSHDSACASA-N 0 3 315.211 2.215 20 30 DEEDHN Cc1nocc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001381210524 1152952256 /nfs/dbraw/zinc/95/22/56/1152952256.db2.gz GQDNSLZTEITHRD-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C[C@@H](CNC(=O)c1ccncc1)N(C)Cc1cccc(C#N)c1 ZINC001381486041 1153084274 /nfs/dbraw/zinc/08/42/74/1153084274.db2.gz BQDVTEIQJKPAEC-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN CC(C)[C@H](CCN(C)C(=O)[C@H](C)C#N)NCc1cscn1 ZINC001381723929 1153196720 /nfs/dbraw/zinc/19/67/20/1153196720.db2.gz YAXPYEMPPLRVKF-OCCSQVGLSA-N 0 3 308.451 2.265 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001381946005 1153284169 /nfs/dbraw/zinc/28/41/69/1153284169.db2.gz DFQJQYURJJWXCR-PDEGPIFNSA-N 0 3 301.228 2.035 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001402949315 1162566193 /nfs/dbraw/zinc/56/61/93/1162566193.db2.gz KESZOGGGXBQUQS-JXQTWKCFSA-N 0 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/nfs/dbraw/zinc/80/03/91/1162800391.db2.gz ANOLNKCOJUKWBZ-WMLDXEAASA-N 0 3 317.433 2.166 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccncc1)NCc1ccc(C#N)s1 ZINC001391665618 1156667732 /nfs/dbraw/zinc/66/77/32/1156667732.db2.gz WYOXMHYDWOOQKG-ZDUSSCGKSA-N 0 3 314.414 2.313 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001391720186 1156735999 /nfs/dbraw/zinc/73/59/99/1156735999.db2.gz PVLQSKKWAMHOGS-KBPBESRZSA-N 0 3 309.360 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc2nc[nH]c2n1)C(C)C ZINC001392223380 1156897244 /nfs/dbraw/zinc/89/72/44/1156897244.db2.gz HLDRLTZPFORSDJ-ZDUSSCGKSA-N 0 3 321.812 2.054 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ncc2ccccn21)C(C)C ZINC001392225703 1156898170 /nfs/dbraw/zinc/89/81/70/1156898170.db2.gz GYQYAUYDQRUMKH-AWEZNQCLSA-N 0 3 320.824 2.431 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)C(F)(F)F ZINC001392506046 1157080745 /nfs/dbraw/zinc/08/07/45/1157080745.db2.gz QSFWIZYYDRAACO-BDAKNGLRSA-N 0 3 319.352 2.412 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001373880634 1157430762 /nfs/dbraw/zinc/43/07/62/1157430762.db2.gz YVRLDEYZUOTWMC-PIGZYNQJSA-N 0 3 321.371 2.499 20 30 DEEDHN Cc1ocnc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001373996642 1157536199 /nfs/dbraw/zinc/53/61/99/1157536199.db2.gz LRWGSTBJIUDIAW-GFCCVEGCSA-N 0 3 312.373 2.010 20 30 DEEDHN C=C(Br)CNC[C@H](C1CC1)N(C)C(=O)C1CC1 ZINC001403480670 1162896069 /nfs/dbraw/zinc/89/60/69/1162896069.db2.gz BNPDKWKKEVMREG-GFCCVEGCSA-N 0 3 301.228 2.132 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001393761280 1157959337 /nfs/dbraw/zinc/95/93/37/1157959337.db2.gz QWUNTUXOTYNZML-CQSZACIVSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001375029340 1158222098 /nfs/dbraw/zinc/22/20/98/1158222098.db2.gz MHCAGNIPCPSHEK-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001403536782 1162970139 /nfs/dbraw/zinc/97/01/39/1162970139.db2.gz XLQPLJNYUOXPKF-WQAKAFBOSA-N 0 3 315.255 2.378 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)C2CCC2)C2CC2)s1 ZINC001376187508 1159207296 /nfs/dbraw/zinc/20/72/96/1159207296.db2.gz HDQCAQZWCUXVBJ-HNNXBMFYSA-N 0 3 303.431 2.404 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)C2CCC2)C2CC2)s1 ZINC001376187510 1159208345 /nfs/dbraw/zinc/20/83/45/1159208345.db2.gz HDQCAQZWCUXVBJ-OAHLLOKOSA-N 0 3 303.431 2.404 20 30 DEEDHN C[C@@H](CNC(=O)COC(C)(C)C)NCc1ccc(F)c(C#N)c1 ZINC001376716487 1159718113 /nfs/dbraw/zinc/71/81/13/1159718113.db2.gz UDMGICRIOBLZTA-LBPRGKRZSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CCCOCC1)NCc1ccc(C#N)s1 ZINC001376721846 1159723166 /nfs/dbraw/zinc/72/31/66/1159723166.db2.gz YLBKGOVNHSGZEC-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN CCO[C@@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001376723025 1159724221 /nfs/dbraw/zinc/72/42/21/1159724221.db2.gz XTLFAWXRLFJWDU-IUODEOHRSA-N 0 3 323.462 2.275 20 30 DEEDHN Cc1c(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)ccn1C ZINC001376801274 1159804674 /nfs/dbraw/zinc/80/46/74/1159804674.db2.gz CSOOXPLBZSGNTJ-LLVKDONJSA-N 0 3 316.430 2.175 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CN1CCc2ccccc21 ZINC001377111872 1159910824 /nfs/dbraw/zinc/91/08/24/1159910824.db2.gz PIZWOSXDXQIUIR-CQSZACIVSA-N 0 3 321.852 2.286 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001377313089 1160193784 /nfs/dbraw/zinc/19/37/84/1160193784.db2.gz NFGPFVKDVHHNNU-UHFFFAOYSA-N 0 3 315.889 2.442 20 30 DEEDHN CC(C)C(=O)NCCN(Cc1ccc(OCC#N)cc1)C1CC1 ZINC001399992362 1161628109 /nfs/dbraw/zinc/62/81/09/1161628109.db2.gz WLHHUEMDKNZBHD-UHFFFAOYSA-N 0 3 315.417 2.326 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(=O)[nH]2)CCCC1 ZINC001400910422 1161845150 /nfs/dbraw/zinc/84/51/50/1161845150.db2.gz MCUUUFDDLTUDGO-UHFFFAOYSA-N 0 3 309.797 2.172 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cccnc2OC)CCCC1 ZINC001400954610 1161851755 /nfs/dbraw/zinc/85/17/55/1161851755.db2.gz MSXOYTYNVDKYAY-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)[C@H]1CCCCN1C ZINC001401279423 1161914188 /nfs/dbraw/zinc/91/41/88/1161914188.db2.gz DLEUVSZQJOZSAH-LSDHHAIUSA-N 0 3 315.889 2.344 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C(C)C ZINC001401346780 1161940706 /nfs/dbraw/zinc/94/07/06/1161940706.db2.gz SOOFPSLPSDEGGH-SMDDNHRTSA-N 0 3 312.845 2.071 20 30 DEEDHN CCc1oncc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001401964627 1162199534 /nfs/dbraw/zinc/19/95/34/1162199534.db2.gz BJDQJSNTILBXJG-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN CCN(CCNC(=O)c1ccn(C)c1C)Cc1ccc(C#N)cc1 ZINC001403912139 1163287594 /nfs/dbraw/zinc/28/75/94/1163287594.db2.gz JGYIOLFCMSVBPG-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@H]1CCCCN1CC ZINC001403952672 1163326855 /nfs/dbraw/zinc/32/68/55/1163326855.db2.gz RZADZIICVFMNMI-CQSZACIVSA-N 0 3 301.862 2.051 20 30 DEEDHN Cc1cncc(CN2CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001403989151 1163355775 /nfs/dbraw/zinc/35/57/75/1163355775.db2.gz KQNANVWDVXVEJI-GJZGRUSLSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CCC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001404447866 1163647623 /nfs/dbraw/zinc/64/76/23/1163647623.db2.gz NSXMVEHFINLCKL-LSDHHAIUSA-N 0 3 315.889 2.392 20 30 DEEDHN COc1cccc(CN(C)C[C@@H](C)NC(=O)[C@H](C)C#N)c1C ZINC001406582606 1164691791 /nfs/dbraw/zinc/69/17/91/1164691791.db2.gz DHKBFSLVTIYJIM-CHWSQXEVSA-N 0 3 303.406 2.100 20 30 DEEDHN CC[C@H](C)C(=O)NCC1(NCc2ccc(OCC#N)cc2)CC1 ZINC001406894153 1164871748 /nfs/dbraw/zinc/87/17/48/1164871748.db2.gz WGGZJYMBWSMQIY-AWEZNQCLSA-N 0 3 315.417 2.373 20 30 DEEDHN Cc1cc(CNC2(CNC(=O)c3ccc(C#N)[nH]3)CC2)cs1 ZINC001406913787 1164881814 /nfs/dbraw/zinc/88/18/14/1164881814.db2.gz YMTWTNSQNBPNQD-UHFFFAOYSA-N 0 3 314.414 2.309 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001417770368 1167200719 /nfs/dbraw/zinc/20/07/19/1167200719.db2.gz QQQTZBFKGJFAGB-MJBXVCDLSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001417801016 1167222301 /nfs/dbraw/zinc/22/23/01/1167222301.db2.gz KBBDPCNEYZDERR-QEJZJMRPSA-N 0 3 314.857 2.429 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001417805394 1167225406 /nfs/dbraw/zinc/22/54/06/1167225406.db2.gz YVHXQHFUENQZHS-BHBPTQKFSA-N 0 3 304.221 2.340 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001417900791 1167293653 /nfs/dbraw/zinc/29/36/53/1167293653.db2.gz PDUJKFRSARRFOA-JSGCOSHPSA-N 0 3 310.829 2.145 20 30 DEEDHN Cc1ncsc1CN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001417957169 1167327267 /nfs/dbraw/zinc/32/72/67/1167327267.db2.gz SRKVKSQBJIFFSV-FZMZJTMJSA-N 0 3 318.446 2.082 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001418049429 1167382762 /nfs/dbraw/zinc/38/27/62/1167382762.db2.gz INDVNFHHPISEPU-LYIQGSDWSA-N 0 3 307.344 2.422 20 30 DEEDHN Cc1ccc(CN(C)CCNC(=O)c2c[nH]c(C#N)c2)cc1C ZINC001418457985 1167672295 /nfs/dbraw/zinc/67/22/95/1167672295.db2.gz UFLUGJFYLBGTCJ-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN CCN(CCNC(=O)[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC001418538711 1167792736 /nfs/dbraw/zinc/79/27/36/1167792736.db2.gz WAVXJYHOVCOWDD-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001418657074 1167868434 /nfs/dbraw/zinc/86/84/34/1167868434.db2.gz BVXQXFHTJCTQCR-CZUORRHYSA-N 0 3 317.458 2.248 20 30 DEEDHN Cc1cc(F)ccc1CN(CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001418748940 1167938899 /nfs/dbraw/zinc/93/88/99/1167938899.db2.gz AIDURURPEUATAQ-ZDUSSCGKSA-N 0 3 303.381 2.374 20 30 DEEDHN CC[C@H](F)CN(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001418929139 1168071778 /nfs/dbraw/zinc/07/17/78/1168071778.db2.gz LWDOIEODYAUJFD-STQMWFEESA-N 0 3 306.385 2.028 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C)ncn1)C1CC1 ZINC001419326961 1168403295 /nfs/dbraw/zinc/40/32/95/1168403295.db2.gz SCTMMXRRZONEJK-OAHLLOKOSA-N 0 3 308.813 2.026 20 30 DEEDHN Cc1ccncc1CNCc1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001419380069 1168433830 /nfs/dbraw/zinc/43/38/30/1168433830.db2.gz OXQPNJZBRWTQFF-HNNXBMFYSA-N 0 3 322.412 2.456 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001419445490 1168490584 /nfs/dbraw/zinc/49/05/84/1168490584.db2.gz IXDHPSLVDKVWQM-VIBAHUMZSA-N 0 3 311.429 2.446 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)C1(C(F)F)CC1 ZINC001419472371 1168515965 /nfs/dbraw/zinc/51/59/65/1168515965.db2.gz UKRZNLRVVBOCLZ-LBPRGKRZSA-N 0 3 321.371 2.445 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C1CC1)NCc1ccc(C#N)cc1F ZINC001419871196 1168884924 /nfs/dbraw/zinc/88/49/24/1168884924.db2.gz UMOKTQALPLLKLW-MRXNPFEDSA-N 0 3 303.381 2.338 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@H](C)CNC(=O)[C@H](C)C#N ZINC001421672667 1171893860 /nfs/dbraw/zinc/89/38/60/1171893860.db2.gz DNTGKJMCTIQVEI-NWDGAFQWSA-N 0 3 306.410 2.108 20 30 DEEDHN CCc1nc(C)c(CN2CCC[C@@H](NC(=O)[C@H](C)C#N)CC2)o1 ZINC001421816995 1172011962 /nfs/dbraw/zinc/01/19/62/1172011962.db2.gz FBYDAMPACSBTQC-TZMCWYRMSA-N 0 3 318.421 2.176 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001422051133 1172257414 /nfs/dbraw/zinc/25/74/14/1172257414.db2.gz ZIVJVRWEYNEYLM-BLLLJJGKSA-N 0 3 321.371 2.384 20 30 DEEDHN Cc1cccc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)n1 ZINC001422460869 1172609795 /nfs/dbraw/zinc/60/97/95/1172609795.db2.gz JMATZHRVEPGLGL-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC1(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001422507901 1172662173 /nfs/dbraw/zinc/66/21/73/1172662173.db2.gz FDGIDSGZZHUGCD-BXUZGUMPSA-N 0 3 307.344 2.150 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001422902140 1172910059 /nfs/dbraw/zinc/91/00/59/1172910059.db2.gz XZRPUVJUKSMLAA-UXIGCNINSA-N 0 3 324.856 2.151 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001422909414 1172919184 /nfs/dbraw/zinc/91/91/84/1172919184.db2.gz YOHTZSMRXASFKZ-IHRRRGAJSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001422988332 1173001813 /nfs/dbraw/zinc/00/18/13/1173001813.db2.gz YVXRWECLQSBVAF-NHYWBVRUSA-N 0 3 324.856 2.167 20 30 DEEDHN C[C@H](CN(C)C(=O)C1=COCCC1)NCc1ccc(C#N)s1 ZINC001423045011 1173040399 /nfs/dbraw/zinc/04/03/99/1173040399.db2.gz IUADAZQBVFXFSN-GFCCVEGCSA-N 0 3 319.430 2.251 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)CCc2cnc[nH]2)CC1 ZINC001423661895 1173473732 /nfs/dbraw/zinc/47/37/32/1173473732.db2.gz ZNULIRBWXJLMDK-UHFFFAOYSA-N 0 3 324.856 2.313 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001424264468 1173724610 /nfs/dbraw/zinc/72/46/10/1173724610.db2.gz WRKMVDVCSOIDFQ-GXTWGEPZSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001424603353 1173846912 /nfs/dbraw/zinc/84/69/12/1173846912.db2.gz SOMYQPGIJKPKJV-VIFPVBQESA-N 0 3 320.771 2.208 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)COCC1CC1 ZINC001424759630 1173907003 /nfs/dbraw/zinc/90/70/03/1173907003.db2.gz AUHKSCGACJSNSE-RYUDHWBXSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@@H]1OCC ZINC001424862885 1173997488 /nfs/dbraw/zinc/99/74/88/1173997488.db2.gz PGGUEPKWIHHZFI-OLZOCXBDSA-N 0 3 302.846 2.238 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC001434468125 1178615299 /nfs/dbraw/zinc/61/52/99/1178615299.db2.gz YZOJNFGGSYTZBE-MSOLQXFVSA-N 0 3 300.402 2.483 20 30 DEEDHN CC(C)(C#N)c1ccccc1C[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001434487351 1178653055 /nfs/dbraw/zinc/65/30/55/1178653055.db2.gz KSANHGKEUGRRAE-UHFFFAOYSA-N 0 3 324.432 2.456 20 30 DEEDHN CC(C)(C#N)c1ccccc1C[NH+]1CCC(Cc2nn[n-]n2)CC1 ZINC001434487351 1178653059 /nfs/dbraw/zinc/65/30/59/1178653059.db2.gz KSANHGKEUGRRAE-UHFFFAOYSA-N 0 3 324.432 2.456 20 30 DEEDHN Cc1ccncc1CN1CCC2(C[C@@H]2NC(=O)[C@H](C)C#N)CC1 ZINC001436746054 1179214545 /nfs/dbraw/zinc/21/45/45/1179214545.db2.gz FZMACJARNINCPY-ZBFHGGJFSA-N 0 3 312.417 2.020 20 30 DEEDHN CO[C@@H](C)CC(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001437372163 1179769553 /nfs/dbraw/zinc/76/95/53/1179769553.db2.gz ZTYJGRUGJWTJBL-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN CCN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccc(C)cc1 ZINC001437593657 1179857472 /nfs/dbraw/zinc/85/74/72/1179857472.db2.gz KKWJWRMVWNPOEI-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CCN(CCNC(=O)c1ccsn1)Cc1ccc(C#N)cc1 ZINC001437599585 1179860462 /nfs/dbraw/zinc/86/04/62/1179860462.db2.gz VLMAIQSZUXYGOZ-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001437714131 1179898434 /nfs/dbraw/zinc/89/84/34/1179898434.db2.gz DGLULHONOFKGDO-IRXDYDNUSA-N 0 3 317.408 2.490 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439361733 1181043614 /nfs/dbraw/zinc/04/36/14/1181043614.db2.gz LAHNHZQUCKDBHU-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(CCCc2ccsc2)[C@@H]1C ZINC001440491722 1181557223 /nfs/dbraw/zinc/55/72/23/1181557223.db2.gz JBTCENHUMAMQKK-NFAWXSAZSA-N 0 3 305.447 2.419 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001440758005 1181677076 /nfs/dbraw/zinc/67/70/76/1181677076.db2.gz XUHMDPNXDUZQHD-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C[C@@H](NC(=O)C(C)(F)F)[C@H](C)NCc1cc(C#N)ccc1F ZINC001440775685 1181684921 /nfs/dbraw/zinc/68/49/21/1181684921.db2.gz SIKYKMDGYHTPND-VHSXEESVSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001440783140 1181689703 /nfs/dbraw/zinc/68/97/03/1181689703.db2.gz MSKJZWFESXXZKI-IUCAKERBSA-N 0 3 315.204 2.302 20 30 DEEDHN C[C@H](CNC(=O)c1ccncc1)N(C)Cc1ccc(C#N)cc1 ZINC001440893509 1181746325 /nfs/dbraw/zinc/74/63/25/1181746325.db2.gz CDQJYWNGJMRCJT-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001440997436 1181819901 /nfs/dbraw/zinc/81/99/01/1181819901.db2.gz NYYIKNVNLIBLBC-HUUCEWRRSA-N 0 3 324.856 2.385 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001441378608 1181964244 /nfs/dbraw/zinc/96/42/44/1181964244.db2.gz KXDDCWNDGFYKRR-HAQNSBGRSA-N 0 3 311.813 2.396 20 30 DEEDHN COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)c1Cl ZINC001441386643 1181970377 /nfs/dbraw/zinc/97/03/77/1181970377.db2.gz 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C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C[C@@H]1C ZINC000947647841 783197462 /nfs/dbraw/zinc/19/74/62/783197462.db2.gz DZFIIUSSIKWNPM-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(CCC(C)C)nn2)C[C@H]1C ZINC000947719501 783212498 /nfs/dbraw/zinc/21/24/98/783212498.db2.gz OOLXBVDFESSJAK-CABCVRRESA-N 0 3 319.453 2.093 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnnc3ccccc32)C[C@H]1C ZINC000947750319 783222183 /nfs/dbraw/zinc/22/21/83/783222183.db2.gz NZMVGFDAPTUASP-KGLIPLIRSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001090599424 790387552 /nfs/dbraw/zinc/38/75/52/790387552.db2.gz FQBDEMRSLGQQRP-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(CN3CCCC3)o2)CC1 ZINC001136670657 790416240 /nfs/dbraw/zinc/41/62/40/790416240.db2.gz MMPRPRIIKLKNHP-UHFFFAOYSA-N 0 3 317.433 2.256 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccsc3)[C@H]2C1 ZINC001083190201 776606941 /nfs/dbraw/zinc/60/69/41/776606941.db2.gz 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C=C(Cl)CNCC1(CCNC(=O)C2(C)CCOCC2)CC1 ZINC001167460563 777104715 /nfs/dbraw/zinc/10/47/15/777104715.db2.gz GGAUGYLGOZIAEX-UHFFFAOYSA-N 0 3 314.857 2.432 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cncc(C)c2)C1 ZINC001100541378 777203171 /nfs/dbraw/zinc/20/31/71/777203171.db2.gz HTESVJZNGZMFJF-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3cccc(C)c3C)[C@H]2C1 ZINC001083263309 777586706 /nfs/dbraw/zinc/58/67/06/777586706.db2.gz QGOWCKMBGLHRRZ-ZWKOTPCHSA-N 0 3 314.429 2.405 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccncc3)C(C)(C)[C@H]21 ZINC001087265890 777661550 /nfs/dbraw/zinc/66/15/50/777661550.db2.gz CBZKINUJBHYCBY-ZACQAIPSSA-N 0 3 311.429 2.324 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)Cc3ccoc3)C(C)(C)[C@H]21 ZINC001087281484 777711794 /nfs/dbraw/zinc/71/17/94/777711794.db2.gz HNYFUNAISJCWCZ-NJAFHUGGSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1coc(CC)n1 ZINC001087282012 777715324 /nfs/dbraw/zinc/71/53/24/777715324.db2.gz 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C#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)c3ccc(C)o3)C[C@]2(C)C1 ZINC000982616020 778883676 /nfs/dbraw/zinc/88/36/76/778883676.db2.gz AKVLRNVRQXSSQF-ZYSHUDEJSA-N 0 3 314.429 2.495 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(CF)cc3)C2)C1 ZINC001073471965 790675168 /nfs/dbraw/zinc/67/51/68/790675168.db2.gz XCOWGLBAUVWAKE-UHFFFAOYSA-N 0 3 300.377 2.327 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@H]1C(F)(F)F ZINC001112133055 779025294 /nfs/dbraw/zinc/02/52/94/779025294.db2.gz AHOFBDFBNKLTOH-IVZWLZJFSA-N 0 3 314.298 2.443 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1C(F)(F)F ZINC001112146886 779124656 /nfs/dbraw/zinc/12/46/56/779124656.db2.gz TYKRFADLNZYCGP-VXGBXAGGSA-N 0 3 314.307 2.204 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CCC)OCC)C[C@H]1C(F)(F)F ZINC001112149925 779175644 /nfs/dbraw/zinc/17/56/44/779175644.db2.gz YWVGKJRKEKDVSX-UPJWGTAASA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC(C)C)OC)C[C@H]1C(F)(F)F ZINC001112161685 779293533 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C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)[C@H]1CC ZINC001087780560 779448490 /nfs/dbraw/zinc/44/84/90/779448490.db2.gz MLXMGOWGLQGYEV-UHOFOFEASA-N 0 3 316.449 2.303 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@H]1CC ZINC001087792304 779453727 /nfs/dbraw/zinc/45/37/27/779453727.db2.gz XOUUSVOLIUADFZ-UONOGXRCSA-N 0 3 304.438 2.476 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)n(C)nc2Cl)[C@H]1CC ZINC001087812300 779462090 /nfs/dbraw/zinc/46/20/90/779462090.db2.gz FWKXNYMWAJCPCL-NWDGAFQWSA-N 0 3 310.829 2.151 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)o3)C[C@@H]2C1 ZINC001087934885 779555832 /nfs/dbraw/zinc/55/58/32/779555832.db2.gz FABCLXHFNXBIIN-CVEARBPZSA-N 0 3 300.402 2.314 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cccc(CC)n3)C[C@@H]2C1 ZINC001087995861 779622314 /nfs/dbraw/zinc/62/23/14/779622314.db2.gz HPVBEWKASDCTRR-CVEARBPZSA-N 0 3 311.429 2.061 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)COCC(F)F)C12CCC2 ZINC001203220004 779662817 /nfs/dbraw/zinc/66/28/17/779662817.db2.gz 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CC(C)[C@H](C(=O)N(C)CCNc1cccc(F)c1C#N)N(C)C ZINC001101711597 780539522 /nfs/dbraw/zinc/53/95/22/780539522.db2.gz JDUOXUVXJLDCQL-MRXNPFEDSA-N 0 3 320.412 2.154 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@H]1C ZINC001088585991 780548189 /nfs/dbraw/zinc/54/81/89/780548189.db2.gz ANYWBONHVSQRTE-OCCSQVGLSA-N 0 3 304.365 2.050 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](CC)OC)[C@H](OC)C1 ZINC001212001855 780584313 /nfs/dbraw/zinc/58/43/13/780584313.db2.gz AQZUVVUJSWFAJK-OWCLPIDISA-N 0 3 314.470 2.197 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(C3CC3)no2)[C@H]1C ZINC001088615730 780623901 /nfs/dbraw/zinc/62/39/01/780623901.db2.gz BIGPAHPYYZTSTE-DOMZBBRYSA-N 0 3 303.406 2.250 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2nc(C)sc2C)[C@H]1C ZINC001088664422 780699012 /nfs/dbraw/zinc/69/90/12/780699012.db2.gz YLYDNVQWOIJTQM-RISCZKNCSA-N 0 3 307.463 2.458 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)[C@H]1C ZINC001088733302 780922315 /nfs/dbraw/zinc/92/23/15/780922315.db2.gz 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CC#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000948201217 783367295 /nfs/dbraw/zinc/36/72/95/783367295.db2.gz ZFELEJCYJNXXFN-HNNXBMFYSA-N 0 3 300.402 2.342 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001089725962 783389870 /nfs/dbraw/zinc/38/98/70/783389870.db2.gz INTADMZXQDIHFS-ZDUSSCGKSA-N 0 3 315.421 2.069 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1cccc(F)c1 ZINC001127605134 783406305 /nfs/dbraw/zinc/40/63/05/783406305.db2.gz SKECUEFIZXCZTE-CVEARBPZSA-N 0 3 306.381 2.013 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(F)cccc2OC)CC1 ZINC000948400386 783454258 /nfs/dbraw/zinc/45/42/58/783454258.db2.gz BTLZYXINMGPCKY-CQSZACIVSA-N 0 3 318.392 2.394 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccnn2CCC)CC1 ZINC000948412337 783456989 /nfs/dbraw/zinc/45/69/89/783456989.db2.gz LINBFATZECADDK-INIZCTEOSA-N 0 3 316.449 2.243 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2conc2C(C)C)CC1 ZINC000948435599 783464616 /nfs/dbraw/zinc/46/46/16/783464616.db2.gz NAUFWRBIYXBPNR-CQSZACIVSA-N 0 3 303.406 2.358 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2sccc2CC)C1 ZINC001073901878 790947588 /nfs/dbraw/zinc/94/75/88/790947588.db2.gz ILBJCDDFFRFNQW-HNNXBMFYSA-N 0 3 320.458 2.155 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001073906087 790950750 /nfs/dbraw/zinc/95/07/50/790950750.db2.gz SQGJMVQBTQGLQO-RFSXOUPVSA-N 0 3 318.461 2.062 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccnc3ccncc32)CC1 ZINC000948647172 783549298 /nfs/dbraw/zinc/54/92/98/783549298.db2.gz FDVNVBXSTPVSEN-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1CCC2 ZINC001085218995 783587823 /nfs/dbraw/zinc/58/78/23/783587823.db2.gz BEZFMPZKCBMTKL-ZIAGYGMSSA-N 0 3 322.840 2.212 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCC2 ZINC001085218667 783588340 /nfs/dbraw/zinc/58/83/40/783588340.db2.gz LEJBTKQTVGULGA-ZIAGYGMSSA-N 0 3 322.840 2.212 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085339416 783644474 /nfs/dbraw/zinc/64/44/74/783644474.db2.gz KYRGVRYNXWTWJN-RYPNDVFKSA-N 0 3 312.841 2.323 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966850614 783779896 /nfs/dbraw/zinc/77/98/96/783779896.db2.gz WGQPXMWLFGHANC-DOTOQJQBSA-N 0 3 313.445 2.288 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](NC(=O)C(C)(C)N(C)CC)CC1 ZINC001066275752 783821407 /nfs/dbraw/zinc/82/14/07/783821407.db2.gz PTIGSHKULBMGOZ-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC000967033981 783864339 /nfs/dbraw/zinc/86/43/39/783864339.db2.gz QPRMXIVTRABBPA-WMLDXEAASA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000967265884 783917341 /nfs/dbraw/zinc/91/73/41/783917341.db2.gz XXFGUOJAIGHWGF-RDTXWAMCSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279628 783928522 /nfs/dbraw/zinc/92/85/22/783928522.db2.gz OPBGAHZEEWDBOP-DOTOQJQBSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287825 783934651 /nfs/dbraw/zinc/93/46/51/783934651.db2.gz IVFIEXDPAZMZSB-HIFRSBDPSA-N 0 3 306.406 2.442 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001085666169 783945355 /nfs/dbraw/zinc/94/53/55/783945355.db2.gz ZTTRZEJNAWVYMH-OAHLLOKOSA-N 0 3 313.405 2.070 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC000967358299 783964308 /nfs/dbraw/zinc/96/43/08/783964308.db2.gz QWBDCNWUTNDEGX-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085697982 783976235 /nfs/dbraw/zinc/97/62/35/783976235.db2.gz ZFKIRRYIGQPALE-ZDUSSCGKSA-N 0 3 307.394 2.186 20 30 DEEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC000967401475 783979892 /nfs/dbraw/zinc/97/98/92/783979892.db2.gz BVAKGXYJDQMOEC-KBPBESRZSA-N 0 3 321.421 2.480 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC000967398635 783980418 /nfs/dbraw/zinc/98/04/18/783980418.db2.gz ZHCKLNAETZKUBA-KBXCAEBGSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cn2ccnc12 ZINC001085740212 784025368 /nfs/dbraw/zinc/02/53/68/784025368.db2.gz KXIRURPEQNPJPP-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001085751376 784042654 /nfs/dbraw/zinc/04/26/54/784042654.db2.gz FAHRXBWLCXZKOD-HNNXBMFYSA-N 0 3 304.438 2.149 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000967675455 784088800 /nfs/dbraw/zinc/08/88/00/784088800.db2.gz GFWPAJUHAUSGHZ-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001085846679 784134307 /nfs/dbraw/zinc/13/43/07/784134307.db2.gz OUDBMAHCVARQOA-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc(N(C)C)c1 ZINC001085852900 784138515 /nfs/dbraw/zinc/13/85/15/784138515.db2.gz JEODTTDTYIGMIZ-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c2ccccc2nn1C ZINC001085908640 784203598 /nfs/dbraw/zinc/20/35/98/784203598.db2.gz OJFCGNNILKGYGX-CQSZACIVSA-N 0 3 312.417 2.296 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(CC=C(C)C)CC[C@@H]2C)c1 ZINC000968316407 784282551 /nfs/dbraw/zinc/28/25/51/784282551.db2.gz FEXDXVZZEXTGLD-MAUKXSAKSA-N 0 3 311.429 2.469 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)c2ccco2)C1 ZINC001086012536 784318937 /nfs/dbraw/zinc/31/89/37/784318937.db2.gz BWIBSLWADBCMIV-PHIMTYICSA-N 0 3 313.195 2.286 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001086016142 784324186 /nfs/dbraw/zinc/32/41/86/784324186.db2.gz MNWVLHKNMGBWQT-IXLVHKGHSA-N 0 3 301.228 2.035 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968382727 784343963 /nfs/dbraw/zinc/34/39/63/784343963.db2.gz UAWWTHZYKSPPGR-YJBOKZPZSA-N 0 3 309.413 2.403 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001066377267 784382780 /nfs/dbraw/zinc/38/27/80/784382780.db2.gz WIQMXXXHZHHPQA-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccn3nccc23)C1 ZINC001086137482 784430369 /nfs/dbraw/zinc/43/03/69/784430369.db2.gz KOOLMJLIBQYNNW-BETUJISGSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(C)C)CC[C@H]1C ZINC000968521781 784444428 /nfs/dbraw/zinc/44/44/28/784444428.db2.gz WMKSAAKDCWPHFK-HUUCEWRRSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC000968588033 784481891 /nfs/dbraw/zinc/48/18/91/784481891.db2.gz JQRZPRVGFFFWLS-YJBOKZPZSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(C)noc1C(F)(F)F ZINC001155503142 784515445 /nfs/dbraw/zinc/51/54/45/784515445.db2.gz JBLANOAGOKQZNH-SECBINFHSA-N 0 3 317.311 2.075 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn3c2CCCC3)C1 ZINC001086246802 784521131 /nfs/dbraw/zinc/52/11/31/784521131.db2.gz QHLXENGSPSIYNH-BETUJISGSA-N 0 3 322.840 2.070 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC000968677827 784535173 /nfs/dbraw/zinc/53/51/73/784535173.db2.gz JPBYMXLQGCGNOT-DZGCQCFKSA-N 0 3 319.474 2.098 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000968858115 784622766 /nfs/dbraw/zinc/62/27/66/784622766.db2.gz BDMLVDABLSVAQW-HZPDHXFCSA-N 0 3 316.449 2.376 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NCC(=C)Cl)C1 ZINC001086369275 784626287 /nfs/dbraw/zinc/62/62/87/784626287.db2.gz YVPOGDZVTCKSHG-TUVASFSCSA-N 0 3 312.841 2.205 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC000968910758 784645952 /nfs/dbraw/zinc/64/59/52/784645952.db2.gz ZFWLAUCSEMTTOG-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccncc2CC)C1 ZINC001086411804 784694047 /nfs/dbraw/zinc/69/40/47/784694047.db2.gz VPZKGHHUSNQLFN-MQMHXKEQSA-N 0 3 307.825 2.495 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCCCN1CC#N ZINC000969059148 784708178 /nfs/dbraw/zinc/70/81/78/784708178.db2.gz HCFFTMKIMXPPPF-IRXDYDNUSA-N 0 3 320.481 2.134 20 30 DEEDHN CSC[C@H](C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155782745 784709106 /nfs/dbraw/zinc/70/91/06/784709106.db2.gz LYABTNJYCQGFKN-LBPRGKRZSA-N 0 3 323.437 2.292 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ncoc2C2CC2)C1 ZINC001086525729 784897019 /nfs/dbraw/zinc/89/70/19/784897019.db2.gz HOPKJNIBCUUPNZ-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001007442733 784920335 /nfs/dbraw/zinc/92/03/35/784920335.db2.gz DMWBHHCMFFIAGU-AWEZNQCLSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001007491239 784933992 /nfs/dbraw/zinc/93/39/92/784933992.db2.gz BCPANHHTXZGSPY-AWEZNQCLSA-N 0 3 310.401 2.400 20 30 DEEDHN CSc1ccc([C@H](O)[C@H](CO)NC#C[Si](C)(C)C)cc1 ZINC001169087741 785039899 /nfs/dbraw/zinc/03/98/99/785039899.db2.gz WSRHODJALKGGDA-GJZGRUSLSA-N 0 3 309.507 2.231 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001007964706 785061150 /nfs/dbraw/zinc/06/11/50/785061150.db2.gz XHJSAQKPIUGIGV-FUHWJXTLSA-N 0 3 314.404 2.459 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001007986432 785067414 /nfs/dbraw/zinc/06/74/14/785067414.db2.gz XSOFAZQTPNFJJK-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001091297414 791080772 /nfs/dbraw/zinc/08/07/72/791080772.db2.gz DLGHBUORKUVJRR-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(CC(C)C)c2)C1 ZINC001091302090 791081732 /nfs/dbraw/zinc/08/17/32/791081732.db2.gz YOHCKHZWASHMQF-UHFFFAOYSA-N 0 3 324.856 2.390 20 30 DEEDHN CCOC(=O)[C@H]1CC[C@H](N(C)Cc2cccc(C#N)c2)CO1 ZINC001169414866 785179688 /nfs/dbraw/zinc/17/96/88/785179688.db2.gz BTNDOYBEHYPVSH-JKSUJKDBSA-N 0 3 302.374 2.101 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2csc3cncn32)C1 ZINC001008726232 785288416 /nfs/dbraw/zinc/28/84/16/785288416.db2.gz IRSUSVNPEOIMPO-GFCCVEGCSA-N 0 3 304.419 2.166 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001008765067 785297932 /nfs/dbraw/zinc/29/79/32/785297932.db2.gz JOVKSIPLZMHULQ-HNNXBMFYSA-N 0 3 300.406 2.124 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001009018997 785362533 /nfs/dbraw/zinc/36/25/33/785362533.db2.gz SOVFRPLQJLMHEB-AWEZNQCLSA-N 0 3 303.406 2.120 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001009294174 785423199 /nfs/dbraw/zinc/42/31/99/785423199.db2.gz CCGLIHBVYCFUPE-MRXNPFEDSA-N 0 3 302.393 2.281 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009384966 785443951 /nfs/dbraw/zinc/44/39/51/785443951.db2.gz XETZKXGISLNRPV-INIZCTEOSA-N 0 3 304.821 2.486 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cn1ccc(C)n1)C2 ZINC001109338460 785809779 /nfs/dbraw/zinc/80/97/79/785809779.db2.gz OVKZLDAWAWYWEO-ORQFMDKSSA-N 0 3 316.449 2.125 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCN([C@H]3CCc4ccccc43)C2)c1 ZINC001010480983 785822843 /nfs/dbraw/zinc/82/28/43/785822843.db2.gz URISDKAIWLEUDU-QAPCUYQASA-N 0 3 320.396 2.378 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ncc(C)o1)C2 ZINC001109390092 785836072 /nfs/dbraw/zinc/83/60/72/785836072.db2.gz SQIPNRCDIMMWAS-PMPSAXMXSA-N 0 3 315.417 2.051 20 30 DEEDHN CN(CCCNc1cccc(F)c1C#N)C(=O)[C@H]1CCCN1C ZINC001109394763 785846607 /nfs/dbraw/zinc/84/66/07/785846607.db2.gz JVNTULUWLLVMDD-MRXNPFEDSA-N 0 3 318.396 2.052 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=C)C)CCOCC1 ZINC001109391199 785849108 /nfs/dbraw/zinc/84/91/08/785849108.db2.gz VKBSILSJVLEYEQ-IKGGRYGDSA-N 0 3 316.445 2.104 20 30 DEEDHN CS[C@H](C)CC(=O)NCCCNCc1ccccc1C#N ZINC001156744386 785893964 /nfs/dbraw/zinc/89/39/64/785893964.db2.gz DZIJGWSIABDNRH-CYBMUJFWSA-N 0 3 305.447 2.296 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCN([C@@H]3CCc4ccccc43)C2)c[nH]1 ZINC001010687712 785896736 /nfs/dbraw/zinc/89/67/36/785896736.db2.gz HHRYTZWTASDRPW-CRAIPNDOSA-N 0 3 320.396 2.378 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1cnn(C)c1)C2 ZINC001109553060 785929961 /nfs/dbraw/zinc/92/99/61/785929961.db2.gz AYRNKHGBAIRDRZ-SIXLDLHFSA-N 0 3 316.449 2.211 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC=C ZINC001109604380 785956980 /nfs/dbraw/zinc/95/69/80/785956980.db2.gz GPHYVTWXFGTMOK-SQNIBIBYSA-N 0 3 318.461 2.494 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)CCC1 ZINC001109680728 785985027 /nfs/dbraw/zinc/98/50/27/785985027.db2.gz VZIADAXWUNCCMM-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(F)F)C2 ZINC001109733786 786000747 /nfs/dbraw/zinc/00/07/47/786000747.db2.gz GCDTWIAUOOQUFE-CRWXNKLISA-N 0 3 316.392 2.202 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCC3)C2 ZINC001109764967 786018207 /nfs/dbraw/zinc/01/82/07/786018207.db2.gz NLUJBDZSYCWATM-WCVJEAGWSA-N 0 3 304.434 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)noc2CC)C1 ZINC001086549839 786196958 /nfs/dbraw/zinc/19/69/58/786196958.db2.gz GGMYDBBJHXCIIF-HAQNSBGRSA-N 0 3 311.813 2.396 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001086563628 786254938 /nfs/dbraw/zinc/25/49/38/786254938.db2.gz QDIVIEGEXJMNDH-KBUPBQIOSA-N 0 3 314.857 2.429 20 30 DEEDHN CCCCCCCN1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001112965934 786333588 /nfs/dbraw/zinc/33/35/88/786333588.db2.gz PRKGRZSCIRYAQG-QGZVFWFLSA-N 0 3 309.498 2.441 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001113030126 786376780 /nfs/dbraw/zinc/37/67/80/786376780.db2.gz LYZVTVZNFDOTKG-CVEARBPZSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cocn2)C1 ZINC001086579437 786407381 /nfs/dbraw/zinc/40/73/81/786407381.db2.gz BQKOXKKCBJIBHB-JKSUJKDBSA-N 0 3 311.385 2.449 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001113433241 786592564 /nfs/dbraw/zinc/59/25/64/786592564.db2.gz BDKFKOJMZYZCRT-MRXNPFEDSA-N 0 3 318.465 2.471 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2coc(Br)c2)C1 ZINC001014627923 786665752 /nfs/dbraw/zinc/66/57/52/786665752.db2.gz PARKRYCWJMEMLH-LLVKDONJSA-N 0 3 313.195 2.422 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001014749911 786736036 /nfs/dbraw/zinc/73/60/36/786736036.db2.gz QWTYAYQZHFBKGE-NVXWUHKLSA-N 0 3 314.429 2.492 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001014890361 786793884 /nfs/dbraw/zinc/79/38/84/786793884.db2.gz LAGNBKDSOGRLQO-SJORKVTESA-N 0 3 313.445 2.280 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)CCCCNCc1nccn1C ZINC001170283699 786900062 /nfs/dbraw/zinc/90/00/62/786900062.db2.gz WVZDWEANBGIRPB-MRXNPFEDSA-N 0 3 318.465 2.378 20 30 DEEDHN CCOC(=O)[C@H](C#N)Nc1ccc([C@H]2CCCCN2C)cn1 ZINC001170369461 786924763 /nfs/dbraw/zinc/92/47/63/786924763.db2.gz VKLRYNHCXVLSLT-UONOGXRCSA-N 0 3 302.378 2.106 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001015173419 786925677 /nfs/dbraw/zinc/92/56/77/786925677.db2.gz HLCHCZXREDFBFM-HZPDHXFCSA-N 0 3 300.402 2.004 20 30 DEEDHN N#CC1(c2ccccc2)CCC(n2cc(CN)cnc2=N)CC1 ZINC001170371946 786937573 /nfs/dbraw/zinc/93/75/73/786937573.db2.gz PQVXOOSDYAJYFN-UHFFFAOYSA-N 0 3 307.401 2.398 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001015273499 786971343 /nfs/dbraw/zinc/97/13/43/786971343.db2.gz XNXHOAXESSOVOQ-ZBFHGGJFSA-N 0 3 318.392 2.143 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2CCN(C[C@H]3CCCCO3)C2)CC1 ZINC001015659536 787165717 /nfs/dbraw/zinc/16/57/17/787165717.db2.gz DCCIHQRDJCCGSE-DLBZAZTESA-N 0 3 306.450 2.492 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC001015678631 787183309 /nfs/dbraw/zinc/18/33/09/787183309.db2.gz LHYLKKTWLZODSE-IBGZPJMESA-N 0 3 319.408 2.110 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCc1csc(C)n1 ZINC001114290497 787200376 /nfs/dbraw/zinc/20/03/76/787200376.db2.gz IYBUYVGPXMIAOB-FOLVSLTJSA-N 0 3 305.447 2.007 20 30 DEEDHN C=C(Br)CN[C@@H]1CC[C@H](CNC(=O)C2CC2)C1 ZINC001086627401 787269268 /nfs/dbraw/zinc/26/92/68/787269268.db2.gz GXAOFYMTOWHFFS-CMPLNLGQSA-N 0 3 301.228 2.180 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@H]2C=CCC2)C1 ZINC001130342873 787353302 /nfs/dbraw/zinc/35/33/02/787353302.db2.gz RQDLMKYGYXWMSY-LSDHHAIUSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C(F)=C(C)C)C1 ZINC001130372599 787363067 /nfs/dbraw/zinc/36/30/67/787363067.db2.gz CJXKKVMUHDRHFR-LBPRGKRZSA-N 0 3 306.385 2.265 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CC=C)C[C@H]1c1cn(C)cn1 ZINC001130683108 787457301 /nfs/dbraw/zinc/45/73/01/787457301.db2.gz YCBMETMOCCZLEF-GOEBONIOSA-N 0 3 316.449 2.092 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)/C(C)=C\C)n1 ZINC001130869001 787491841 /nfs/dbraw/zinc/49/18/41/787491841.db2.gz UPAYLVRQEXFZCD-AZNSZHPSSA-N 0 3 318.421 2.063 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001100323796 787494679 /nfs/dbraw/zinc/49/46/79/787494679.db2.gz LJFRCDRZUKZKEG-RUXDESIVSA-N 0 3 302.846 2.284 20 30 DEEDHN COc1cc(C(=O)NCCNCc2cccc(C#N)c2)ccc1C ZINC001131037596 787529978 /nfs/dbraw/zinc/52/99/78/787529978.db2.gz YXNQIRSKELAIQA-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)[nH]nc1C(C)C)C2 ZINC001096301414 787604855 /nfs/dbraw/zinc/60/48/55/787604855.db2.gz CTENEVJAYKJCSG-ILXRZTDVSA-N 0 3 314.433 2.200 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)n[nH]c1C(C)C)C2 ZINC001096301414 787604857 /nfs/dbraw/zinc/60/48/57/787604857.db2.gz CTENEVJAYKJCSG-ILXRZTDVSA-N 0 3 314.433 2.200 20 30 DEEDHN C[C@H](Nc1ccc(C#C[Si](C)(C)C)cn1)[C@@H]1CNCCO1 ZINC001170558850 787609470 /nfs/dbraw/zinc/60/94/70/787609470.db2.gz RQQNTGVMIRLXIY-ZFWWWQNUSA-N 0 3 303.482 2.099 20 30 DEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1COC)C2 ZINC001096324190 787612538 /nfs/dbraw/zinc/61/25/38/787612538.db2.gz VMIXDJJZAFELLH-INWMFGNUSA-N 0 3 319.405 2.122 20 30 DEEDHN C=CCCN1CC[C@@]2(C1)CN(C(=O)CCCC(C)=O)C[C@H](C)O2 ZINC001131623788 787665492 /nfs/dbraw/zinc/66/54/92/787665492.db2.gz BDMMXKGYCRJVIM-FUHWJXTLSA-N 0 3 322.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131649090 787671962 /nfs/dbraw/zinc/67/19/62/787671962.db2.gz FQPKKJMWNWDGKA-QFBILLFUSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)onc1CC)C2 ZINC001096536044 787714899 /nfs/dbraw/zinc/71/48/99/787714899.db2.gz KWYXPTACPPSPQZ-SNPRPXQTSA-N 0 3 303.406 2.457 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCC2CC2)C1 ZINC001131996804 787872767 /nfs/dbraw/zinc/87/27/67/787872767.db2.gz YEUQHHQTHGRGNN-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN CC(C)OCCCN1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132034204 787899757 /nfs/dbraw/zinc/89/97/57/787899757.db2.gz PISHXQBTFGYHRG-DOTOQJQBSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cc(OC)no2)CC[C@@H]1C ZINC001132063916 787921110 /nfs/dbraw/zinc/92/11/10/787921110.db2.gz BEBUFNHKAPSIQH-UONOGXRCSA-N 0 3 321.421 2.161 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132107078 787933992 /nfs/dbraw/zinc/93/39/92/787933992.db2.gz XNFSWJSSKFLVIC-KGLIPLIRSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132152688 787944765 /nfs/dbraw/zinc/94/47/65/787944765.db2.gz HRWMJMGUJHWQLY-KBPBESRZSA-N 0 3 315.889 2.438 20 30 DEEDHN CC[C@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1)N(C)C ZINC001097046747 787956727 /nfs/dbraw/zinc/95/67/27/787956727.db2.gz JYZVQSIAALKPBV-XHBSWPGZSA-N 0 3 318.396 2.097 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132302720 788011751 /nfs/dbraw/zinc/01/17/51/788011751.db2.gz VZSPBQTYMUSMGZ-UHFFFAOYSA-N 0 3 318.417 2.266 20 30 DEEDHN C#CCN1C[C@H](NC(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001132366167 788043057 /nfs/dbraw/zinc/04/30/57/788043057.db2.gz XHYBLUDEIRSWDH-IAGOWNOFSA-N 0 3 307.482 2.101 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COc2cccnc2)CC[C@@H]1C ZINC001132358478 788044619 /nfs/dbraw/zinc/04/46/19/788044619.db2.gz DKHLIMBXPOKSRL-LSDHHAIUSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CC(C)(C)C(=O)NCCNCc1cnn(-c2ccccc2)c1 ZINC001132398660 788057377 /nfs/dbraw/zinc/05/73/77/788057377.db2.gz IVXIKHLFLDKKGY-UHFFFAOYSA-N 0 3 312.417 2.290 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccsc2)CC[C@H]1C ZINC001132430192 788070065 /nfs/dbraw/zinc/07/00/65/788070065.db2.gz ULTTZCRGJQIKON-ZIAGYGMSSA-N 0 3 306.431 2.119 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CCOC)CCC2)CC[C@@H]1C ZINC001132447925 788082500 /nfs/dbraw/zinc/08/25/00/788082500.db2.gz CPVJXKQVZGCOOD-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2cccnc2)CC[C@@H]1C ZINC001132447900 788082709 /nfs/dbraw/zinc/08/27/09/788082709.db2.gz CCQGUEDNRNVVCA-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2cccc(F)c2)CC[C@H]1C ZINC001132489542 788103262 /nfs/dbraw/zinc/10/32/62/788103262.db2.gz LNKZUVQHOTWGMK-GDBMZVCRSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCO)C2)CCCCC1 ZINC001132508173 788109516 /nfs/dbraw/zinc/10/95/16/788109516.db2.gz DQEHIHAYBLUFKN-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CN(C)c2ccccc2)CC[C@@H]1C ZINC001132543055 788119093 /nfs/dbraw/zinc/11/90/93/788119093.db2.gz USBHSMOXDUMUQU-IRXDYDNUSA-N 0 3 313.445 2.115 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cn(C(C)C)nc1C ZINC001132572977 788135357 /nfs/dbraw/zinc/13/53/57/788135357.db2.gz HXVHHDDEBUDYLW-KBPBESRZSA-N 0 3 306.454 2.436 20 30 DEEDHN CCN1CCCN(C(=O)c2ccccc2SCC#N)CC1 ZINC000748850549 788149880 /nfs/dbraw/zinc/14/98/80/788149880.db2.gz CDJLKWJOMMHSAK-UHFFFAOYSA-N 0 3 303.431 2.470 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2ocnc2C)C1 ZINC001132785404 788191561 /nfs/dbraw/zinc/19/15/61/788191561.db2.gz HKFKEAQFFZGSLU-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1CN(C)C)C2 ZINC001097734267 788205039 /nfs/dbraw/zinc/20/50/39/788205039.db2.gz LDILVXJFPGQONJ-OAGGEKHMSA-N 0 3 317.433 2.252 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1C1CC1)C2 ZINC001097826075 788235872 /nfs/dbraw/zinc/23/58/72/788235872.db2.gz WHJLBMUCQDNPJF-YUELXQCFSA-N 0 3 301.390 2.463 20 30 DEEDHN CO[C@@H]1CCC[C@H](C(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001133082802 788275960 /nfs/dbraw/zinc/27/59/60/788275960.db2.gz NMIZYDYTHNRJIQ-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccnc(C)c2)CC1 ZINC001137418105 788353469 /nfs/dbraw/zinc/35/34/69/788353469.db2.gz LWVQRZWFEFMVMF-UHFFFAOYSA-N 0 3 314.477 2.182 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OCC ZINC001133385512 788396675 /nfs/dbraw/zinc/39/66/75/788396675.db2.gz OAVJLTVWFCBTAG-CQSZACIVSA-N 0 3 322.836 2.316 20 30 DEEDHN C=C1CCC(C(=O)NCCN[C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC001133375873 788396694 /nfs/dbraw/zinc/39/66/94/788396694.db2.gz MJPVSQGTPAVHTD-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)C1(CCC)CC1 ZINC001133462998 788432048 /nfs/dbraw/zinc/43/20/48/788432048.db2.gz HFNZXTRTRJVSDP-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ccccc3O1)C2 ZINC001098064979 788612698 /nfs/dbraw/zinc/61/26/98/788612698.db2.gz RBFIYRRLLNSDFE-VXNCWWDNSA-N 0 3 324.424 2.125 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)ncn1 ZINC001134118869 788769451 /nfs/dbraw/zinc/76/94/51/788769451.db2.gz IMGULRQGOWKFSL-ZBFHGGJFSA-N 0 3 316.449 2.352 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nccnc1C ZINC001134119892 788770790 /nfs/dbraw/zinc/77/07/90/788770790.db2.gz YUIIGLINMNERSS-HUUCEWRRSA-N 0 3 316.449 2.352 20 30 DEEDHN Cc1cc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)nn1C ZINC001134328920 788874141 /nfs/dbraw/zinc/87/41/41/788874141.db2.gz HEXAVZMIIRYMEE-KGLIPLIRSA-N 0 3 318.465 2.151 20 30 DEEDHN Cc1cnc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001134329339 788875750 /nfs/dbraw/zinc/87/57/50/788875750.db2.gz MUPAJTXNPWAMHG-UONOGXRCSA-N 0 3 316.449 2.207 20 30 DEEDHN COc1cccc(C(=O)NCCNCc2cccc(C#N)c2)c1C ZINC001134387177 788907129 /nfs/dbraw/zinc/90/71/29/788907129.db2.gz GVKMCGHSXOOBIH-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001134428443 788916643 /nfs/dbraw/zinc/91/66/43/788916643.db2.gz NKFPLMMIMSSZOF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@@H](CCCCNCC#N)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770419 789078923 /nfs/dbraw/zinc/07/89/23/789078923.db2.gz WIGGJIJTFNPBIM-HNNXBMFYSA-N 0 3 308.470 2.039 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135180181 789234135 /nfs/dbraw/zinc/23/41/35/789234135.db2.gz FCBXWZMVBADZFQ-UONOGXRCSA-N 0 3 306.454 2.395 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071052007 789507657 /nfs/dbraw/zinc/50/76/57/789507657.db2.gz YYTAECAHBFAAQQ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccoc1)C[C@H](C)O2 ZINC001071137084 789551400 /nfs/dbraw/zinc/55/14/00/789551400.db2.gz VFLMNBNIJQWXHZ-YOEHRIQHSA-N 0 3 304.390 2.161 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cscn1)C[C@H](C)O2 ZINC001071141305 789553864 /nfs/dbraw/zinc/55/38/64/789553864.db2.gz IWCJPLNSLKHKOC-BBRMVZONSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC1CCC1)C[C@@H](C)O2 ZINC001071151748 789560476 /nfs/dbraw/zinc/56/04/76/789560476.db2.gz MUKAROWAOVVHFL-CRAIPNDOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@@H](C)O2 ZINC001071154779 789562982 /nfs/dbraw/zinc/56/29/82/789562982.db2.gz PLQMJANVMMYVJN-RDTXWAMCSA-N 0 3 317.433 2.205 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1[nH]ccc1C)C[C@@H](C)O2 ZINC001071164117 789567978 /nfs/dbraw/zinc/56/79/78/789567978.db2.gz HMGSSBDVMQEVSM-CRAIPNDOSA-N 0 3 317.433 2.205 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001136348631 789696136 /nfs/dbraw/zinc/69/61/36/789696136.db2.gz OZDRGGSQEXYJPV-UHFFFAOYSA-N 0 3 310.438 2.076 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(OCC)nc2)CC[C@H]1C ZINC001071548351 789773485 /nfs/dbraw/zinc/77/34/85/789773485.db2.gz FECHWZSIDBNRPO-GDBMZVCRSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)CC[C@@H]1C ZINC001071556125 789778406 /nfs/dbraw/zinc/77/84/06/789778406.db2.gz IUXVGVXCIYHGTO-RYUDHWBXSA-N 0 3 322.840 2.232 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071608520 789812105 /nfs/dbraw/zinc/81/21/05/789812105.db2.gz AIKMLTICNRVDMF-FZMZJTMJSA-N 0 3 307.463 2.458 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071610545 789813843 /nfs/dbraw/zinc/81/38/43/789813843.db2.gz UVXQZNPXFMOMIG-SWLSCSKDSA-N 0 3 319.474 2.295 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(CCF)c2)CC[C@@H]1C ZINC001071627291 789824563 /nfs/dbraw/zinc/82/45/63/789824563.db2.gz BYVIADSTIKUQRA-DZGCQCFKSA-N 0 3 308.401 2.011 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(OC)c2)CC[C@@H]1C ZINC001071634730 789829252 /nfs/dbraw/zinc/82/92/52/789829252.db2.gz HSXRWSQFRHAKCW-ZFWWWQNUSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2COC)CC[C@H]1C ZINC001071641990 789834868 /nfs/dbraw/zinc/83/48/68/789834868.db2.gz JJGUESWUYJHQRI-WBVHZDCISA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@H]1C ZINC001071642046 789835772 /nfs/dbraw/zinc/83/57/72/789835772.db2.gz KCKPFKGSTXYJBD-ZIAGYGMSSA-N 0 3 302.422 2.139 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ncc3ccccn32)CC[C@H]1C ZINC001071679077 789859805 /nfs/dbraw/zinc/85/98/05/789859805.db2.gz IRUCFZZUGKHBLR-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nccc3occc32)CC[C@H]1C ZINC001071698288 789873175 /nfs/dbraw/zinc/87/31/75/789873175.db2.gz NMNFAPBDUFPWAS-KGLIPLIRSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(CC)c2C)CC[C@@H]1C ZINC001071758101 789906768 /nfs/dbraw/zinc/90/67/68/789906768.db2.gz YVLOBUNEBSSYMZ-HOCLYGCPSA-N 0 3 301.434 2.422 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(CC)c2C)CC[C@H]1C ZINC001071758102 789907205 /nfs/dbraw/zinc/90/72/05/789907205.db2.gz YVLOBUNEBSSYMZ-ZBFHGGJFSA-N 0 3 301.434 2.422 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c[nH]c3cnccc23)CC[C@H]1C ZINC001071766428 789909822 /nfs/dbraw/zinc/90/98/22/789909822.db2.gz VTDOWIPRJDTICU-HIFRSBDPSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cc(F)ccc2F)CC[C@H]1C ZINC001071775812 789914491 /nfs/dbraw/zinc/91/44/91/789914491.db2.gz INFCJWJFYVTKGG-CJNGLKHVSA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cn2ccnc2C(C)C)CC[C@H]1C ZINC001071866015 789950003 /nfs/dbraw/zinc/95/00/03/789950003.db2.gz PTJOUFUWXNKGPS-CABCVRRESA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2scnc2COC)CC[C@H]1C ZINC001071883924 789957821 /nfs/dbraw/zinc/95/78/21/789957821.db2.gz UOTLVDMJMGZRNG-OLZOCXBDSA-N 0 3 323.462 2.448 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)nn(CC)c2C)CC[C@@H]1C ZINC001071899599 789964926 /nfs/dbraw/zinc/96/49/26/789964926.db2.gz BUDXMEJQTZTMRC-BBRMVZONSA-N 0 3 316.449 2.126 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CC[C@@H](C)N(CC)C1 ZINC001071976342 789995075 /nfs/dbraw/zinc/99/50/75/789995075.db2.gz ADDKOMYRGWBTGH-ZIAGYGMSSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@@H]1C ZINC001071982012 789997553 /nfs/dbraw/zinc/99/75/53/789997553.db2.gz LVCPHZJTCHXBCF-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)c2c[nH]cn2)CC[C@@H]1C ZINC001071994531 790003146 /nfs/dbraw/zinc/00/31/46/790003146.db2.gz FXBPZHQEYPSOES-UONOGXRCSA-N 0 3 304.438 2.233 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c(c2)COC3)CC[C@H]1C ZINC001072023086 790015955 /nfs/dbraw/zinc/01/59/55/790015955.db2.gz LKOXCKPRSWRPFC-RDTXWAMCSA-N 0 3 314.429 2.414 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C)c2C)CC[C@H]1C ZINC001072064542 790038257 /nfs/dbraw/zinc/03/82/57/790038257.db2.gz ZXPDFJAAVNOFJU-CZUORRHYSA-N 0 3 301.434 2.248 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)noc2C)CC[C@@H]1C ZINC001072066942 790039584 /nfs/dbraw/zinc/03/95/84/790039584.db2.gz PISZIUPWGURWEO-WFASDCNBSA-N 0 3 305.422 2.379 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ncc3n2CCCC3)CC[C@H]1C ZINC001072088635 790047928 /nfs/dbraw/zinc/04/79/28/790047928.db2.gz NYIBFHKKGLCQHD-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)n(C)n2)CC[C@H]1C ZINC001072119792 790060257 /nfs/dbraw/zinc/06/02/57/790060257.db2.gz JSMPFSXKNUGDFK-KGLIPLIRSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001072355103 790123157 /nfs/dbraw/zinc/12/31/57/790123157.db2.gz RAHIYDJGQQGZTC-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN COc1ccc(CN2CCC3(CN(C(=O)C#CC4CC4)C3)C2)cc1 ZINC001072718981 790229390 /nfs/dbraw/zinc/22/93/90/790229390.db2.gz WUJHGPOPBKOFMS-UHFFFAOYSA-N 0 3 324.424 2.143 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccnn3[C@@H](C)CC)C2)C1 ZINC001072788504 790247688 /nfs/dbraw/zinc/24/76/88/790247688.db2.gz PATQYLKGHUNXHS-AWEZNQCLSA-N 0 3 302.422 2.188 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 ZINC001072815376 790257893 /nfs/dbraw/zinc/25/78/93/790257893.db2.gz WRWTVXKTBLJFKJ-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(C#N)cc1)C(C)(F)F ZINC001149216579 791229443 /nfs/dbraw/zinc/22/94/43/791229443.db2.gz CWJDNGDDCFWQTB-UHFFFAOYSA-N 0 3 309.360 2.445 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CCC1(C)CC1 ZINC001146494653 791295530 /nfs/dbraw/zinc/29/55/30/791295530.db2.gz NSXHGEYMHFJOCF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](C)C[C@H](C)NCc1nccs1 ZINC001146683839 791340044 /nfs/dbraw/zinc/34/00/44/791340044.db2.gz VYVNMLHHJNTUGE-STQMWFEESA-N 0 3 311.451 2.109 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC23CCCC3)s1 ZINC001146747601 791361811 /nfs/dbraw/zinc/36/18/11/791361811.db2.gz WTOQGTIOGXRIDM-AWEZNQCLSA-N 0 3 303.431 2.406 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)[C@H]1C ZINC001074927481 791394870 /nfs/dbraw/zinc/39/48/70/791394870.db2.gz HGVIHGMRWJSJCQ-IHRRRGAJSA-N 0 3 310.829 2.166 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001075091872 791456881 /nfs/dbraw/zinc/45/68/81/791456881.db2.gz ZBAPOVSFGUQHBI-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001075097408 791460431 /nfs/dbraw/zinc/46/04/31/791460431.db2.gz OGSUFIQCODQQJP-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCC(=O)N1CC2(C1)CCN(CCc1csc(C)n1)C2 ZINC001147166538 791466253 /nfs/dbraw/zinc/46/62/53/791466253.db2.gz YBDGKUAXUZVMGX-UHFFFAOYSA-N 0 3 319.474 2.495 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)SC)C[C@@H](C)O2 ZINC001098563462 791652801 /nfs/dbraw/zinc/65/28/01/791652801.db2.gz YBPWKKPJMFKJKG-KGLIPLIRSA-N 0 3 312.479 2.006 20 30 DEEDHN C=CCCCC(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001148181302 791705385 /nfs/dbraw/zinc/70/53/85/791705385.db2.gz MPOJOUWBKKUFFS-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@H]1CCN(CC)C1=O ZINC001148721987 791792872 /nfs/dbraw/zinc/79/28/72/791792872.db2.gz SOMOMBLEIJBNAD-HNNXBMFYSA-N 0 3 311.470 2.064 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3csnc3C)C2)CC1 ZINC001086918659 791850911 /nfs/dbraw/zinc/85/09/11/791850911.db2.gz UHBGISYUBVCKFI-ZDUSSCGKSA-N 0 3 317.458 2.401 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001086922024 791852156 /nfs/dbraw/zinc/85/21/56/791852156.db2.gz IJJAXXSFKVTKRV-KBPBESRZSA-N 0 3 310.388 2.368 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cncc(C#C)c3)C2)CC1 ZINC001086942488 791857578 /nfs/dbraw/zinc/85/75/78/791857578.db2.gz SSWIFGBITNLYMY-INIZCTEOSA-N 0 3 321.424 2.013 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)Cc3ccco3)C2)CC1 ZINC001086949891 791861928 /nfs/dbraw/zinc/86/19/28/791861928.db2.gz MKVFCAWKSXIPKV-OAHLLOKOSA-N 0 3 300.402 2.158 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccnc(C)c3)C2)CC1 ZINC001086950255 791862317 /nfs/dbraw/zinc/86/23/17/791862317.db2.gz XAMFEXJGYPVZQY-MRXNPFEDSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccn4ccccc34)C[C@]2(C)C1 ZINC001091843046 791888696 /nfs/dbraw/zinc/88/86/96/791888696.db2.gz CMJYJCORUZQATK-UZLBHIALSA-N 0 3 321.424 2.357 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091921565 791901338 /nfs/dbraw/zinc/90/13/38/791901338.db2.gz KPXJHSBZVDLXEA-ZESCBINXSA-N 0 3 323.440 2.495 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3nccc4ccccc43)C[C@]2(C)C1 ZINC001091960503 791912389 /nfs/dbraw/zinc/91/23/89/791912389.db2.gz FSKMHABGDZDIHG-UZLBHIALSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3ccsc3)C[C@]2(C)C1 ZINC001092008387 791916198 /nfs/dbraw/zinc/91/61/98/791916198.db2.gz JMYWABAKTURWEP-LXZKKBNFSA-N 0 3 302.443 2.265 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(F)c(F)c(F)c3)C[C@]2(C)C1 ZINC001092037580 791919359 /nfs/dbraw/zinc/91/93/59/791919359.db2.gz TXJXUTDKZHCDPG-PXAZEXFGSA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2c(C)cccc2C)C1 ZINC001098858130 791964936 /nfs/dbraw/zinc/96/49/36/791964936.db2.gz VVMKAQXAFLQHMC-PXNSSMCTSA-N 0 3 310.441 2.450 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3sc(C)nc3C)C[C@]2(C)C1 ZINC001092261092 791970199 /nfs/dbraw/zinc/97/01/99/791970199.db2.gz JNTGTRIJVXRPLK-PBHICJAKSA-N 0 3 317.458 2.177 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ncc3ccccn32)C1 ZINC001098941274 791993171 /nfs/dbraw/zinc/99/31/71/791993171.db2.gz HQXIBCACVFJZHU-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001098952954 791999305 /nfs/dbraw/zinc/99/93/05/791999305.db2.gz NWIRCEVNCTTXTP-DOTOQJQBSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001098954829 792001599 /nfs/dbraw/zinc/00/15/99/792001599.db2.gz HKXFMTNRRSVRDS-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3n[nH]cc32)C1 ZINC001098969788 792008674 /nfs/dbraw/zinc/00/86/74/792008674.db2.gz POZAZDGVLDDWSA-UGSOOPFHSA-N 0 3 310.401 2.333 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@]23CCC[C@H]2CN(CC=C)C3)cc1 ZINC001099066866 792074697 /nfs/dbraw/zinc/07/46/97/792074697.db2.gz VHPLCRUIVZLJPV-PXNSSMCTSA-N 0 3 324.424 2.469 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001099085062 792083338 /nfs/dbraw/zinc/08/33/38/792083338.db2.gz IWAJFCGPEISBLR-MRXNPFEDSA-N 0 3 319.449 2.438 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(CCC)c2C)C1 ZINC001099094592 792087973 /nfs/dbraw/zinc/08/79/73/792087973.db2.gz YTLDWBNRXXFHJG-YJBOKZPZSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ccnn1C ZINC001099097605 792091918 /nfs/dbraw/zinc/09/19/18/792091918.db2.gz AGBOCRUYQZERTC-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CCC)on2)C1 ZINC001099101922 792094388 /nfs/dbraw/zinc/09/43/88/792094388.db2.gz KQCKVIVKIXYBCJ-KSSFIOAISA-N 0 3 315.417 2.235 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CCOC)CC1 ZINC001099106302 792098558 /nfs/dbraw/zinc/09/85/58/792098558.db2.gz DCALUIVUSVWIEH-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC(C)N(C)CC(=O)NCC[C@H](C)Nc1cccc(F)c1C#N ZINC001099218319 792142471 /nfs/dbraw/zinc/14/24/71/792142471.db2.gz GNYCIZZZOAEGLN-ZDUSSCGKSA-N 0 3 320.412 2.344 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)n2cccc2)C[C@H]1C(F)(F)F ZINC001099240028 792148004 /nfs/dbraw/zinc/14/80/04/792148004.db2.gz MCZYXCVROHWJDS-YNEHKIRRSA-N 0 3 315.339 2.214 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc(C)cn1 ZINC001099354742 792179647 /nfs/dbraw/zinc/17/96/47/792179647.db2.gz VKMDLUJVIQAKMJ-INIZCTEOSA-N 0 3 318.465 2.374 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@H](F)CC)C[C@H]2C)nc1 ZINC001093140667 792250169 /nfs/dbraw/zinc/25/01/69/792250169.db2.gz HKMYKVJFBFJNDB-FVQBIDKESA-N 0 3 317.408 2.109 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H](F)CC)CC2(CCOCC2)C1 ZINC001099588599 792255361 /nfs/dbraw/zinc/25/53/61/792255361.db2.gz FKYZCGBECUFRFC-CABCVRRESA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(F)F)CC1 ZINC001093350717 792330167 /nfs/dbraw/zinc/33/01/67/792330167.db2.gz DOZPSIGAAZJQGX-CQSZACIVSA-N 0 3 310.388 2.368 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC001093351859 792330577 /nfs/dbraw/zinc/33/05/77/792330577.db2.gz GMJJCERHABBESE-GOSISDBHSA-N 0 3 323.440 2.422 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C[C@@H]1O ZINC001099728591 792332278 /nfs/dbraw/zinc/33/22/78/792332278.db2.gz XTMYTBWLHUXQJR-ROUUACIJSA-N 0 3 316.445 2.267 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CC(NCc2cccc(F)c2F)C1 ZINC001100191278 792507688 /nfs/dbraw/zinc/50/76/88/792507688.db2.gz FQANIDDHGNXLOS-XSRFYTQQSA-N 0 3 307.344 2.109 20 30 DEEDHN C=CCOCCCC(=O)NCC1CC(NCc2ccns2)C1 ZINC001100216531 792523260 /nfs/dbraw/zinc/52/32/60/792523260.db2.gz VNQJPOCEUMUAEZ-UHFFFAOYSA-N 0 3 323.462 2.110 20 30 DEEDHN C=CCCC[NH2+]C1CC(CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001100353296 792607118 /nfs/dbraw/zinc/60/71/18/792607118.db2.gz LBPMDJUSYXTQIQ-UHFFFAOYSA-N 0 3 313.405 2.022 20 30 DEEDHN N#Cc1ccc(CNC2CC(CNC(=O)CCCF)C2)c(F)c1 ZINC001100579263 792729171 /nfs/dbraw/zinc/72/91/71/792729171.db2.gz LWHCUXUGAKVIRQ-UHFFFAOYSA-N 0 3 321.371 2.431 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccoc3CC)CCC[C@@H]12 ZINC001094403732 792892661 /nfs/dbraw/zinc/89/26/61/792892661.db2.gz FWNWBCWRFMBJDM-SJLPKXTDSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccccc3OC)CCC[C@@H]12 ZINC001094564918 792984246 /nfs/dbraw/zinc/98/42/46/792984246.db2.gz HGGDIPHCBDSWOY-IEBWSBKVSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3nc(C)c(C)s3)CCC[C@@H]12 ZINC001094583433 792986096 /nfs/dbraw/zinc/98/60/96/792986096.db2.gz SDGBVCWBXZWSBM-RHSMWYFYSA-N 0 3 317.458 2.368 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)/C(C)=C/C)c2)C1 ZINC001101092092 793013986 /nfs/dbraw/zinc/01/39/86/793013986.db2.gz LYXHWBSLIKGBSZ-DRESWSQNSA-N 0 3 315.417 2.303 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)[C@H](F)CC)c2)C1 ZINC001101095231 793015715 /nfs/dbraw/zinc/01/57/15/793015715.db2.gz DWCLOLRCMLDAGE-HZPDHXFCSA-N 0 3 321.396 2.085 20 30 DEEDHN C[C@@H]1CCCN1CC(=O)NCCCNc1cccc(F)c1C#N ZINC001094780539 793083133 /nfs/dbraw/zinc/08/31/33/793083133.db2.gz RHCNLBLGLKWBTJ-CYBMUJFWSA-N 0 3 318.396 2.100 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172228236 793373585 /nfs/dbraw/zinc/37/35/85/793373585.db2.gz YKRPCHAWNBOTGZ-BTFYYFJDSA-N 0 3 317.433 2.232 20 30 DEEDHN CN(CCNc1cccc(F)c1C#N)C(=O)CN(C)C1CCC1 ZINC001102017226 793478411 /nfs/dbraw/zinc/47/84/11/793478411.db2.gz MBHCKPDCIRZDTB-UHFFFAOYSA-N 0 3 318.396 2.052 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2ocnc2C)C[C@H]1C ZINC001102229814 793537127 /nfs/dbraw/zinc/53/71/27/793537127.db2.gz DMEILXXJDFGIRL-TZMCWYRMSA-N 0 3 305.422 2.379 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CN(Cc2nccnc2C)C[C@H]1C ZINC001102298039 793564013 /nfs/dbraw/zinc/56/40/13/793564013.db2.gz JXWSPIWJZPVOMF-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102435579 793613422 /nfs/dbraw/zinc/61/34/22/793613422.db2.gz AJOIJYVGJLSLFL-GVDBMIGSSA-N 0 3 322.493 2.393 20 30 DEEDHN CCC[C@H](CC)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102485405 793630817 /nfs/dbraw/zinc/63/08/17/793630817.db2.gz RNZCCTAHDMDSIV-IXDOHACOSA-N 0 3 308.466 2.147 20 30 DEEDHN CC(=O)N1CCC[C@]2(C1)CN(C1CCC(CC#N)CC1)CCO2 ZINC001173335659 793681597 /nfs/dbraw/zinc/68/15/97/793681597.db2.gz UMBGMCHWFCXQPH-ABHNRTSZSA-N 0 3 319.449 2.172 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174832712 794073364 /nfs/dbraw/zinc/07/33/64/794073364.db2.gz FBYIFSOQNIZOLL-DZGCQCFKSA-N 0 3 321.469 2.480 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(OCC)cc1 ZINC001175349437 794187253 /nfs/dbraw/zinc/18/72/53/794187253.db2.gz MADJQQBILTXVKO-UHFFFAOYSA-N 0 3 310.825 2.476 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1C ZINC001103915708 794302739 /nfs/dbraw/zinc/30/27/39/794302739.db2.gz RDTUTZIYKRNENP-VHDGCEQUSA-N 0 3 324.856 2.271 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C ZINC001103982580 794337101 /nfs/dbraw/zinc/33/71/01/794337101.db2.gz NDENJVKHYHCDJN-YUELXQCFSA-N 0 3 314.857 2.240 20 30 DEEDHN C=CCOCC(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111660859 794452512 /nfs/dbraw/zinc/45/25/12/794452512.db2.gz ZXFFGNOVXBWOCT-JSGCOSHPSA-N 0 3 320.355 2.112 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001111788994 794482258 /nfs/dbraw/zinc/48/22/58/794482258.db2.gz SDWRIYMHBBMDKX-AYBZRNKSSA-N 0 3 311.429 2.179 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)COC)C1 ZINC001111819255 794490520 /nfs/dbraw/zinc/49/05/20/794490520.db2.gz QRVXWTPUPDGIDG-YJBOKZPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001111942978 794531709 /nfs/dbraw/zinc/53/17/09/794531709.db2.gz DMGOKQDKYSIKKO-VKJFTORMSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCCCOCC)C1 ZINC001112015752 794545252 /nfs/dbraw/zinc/54/52/52/794545252.db2.gz XXNCZZGRWQNNDM-WMZOPIPTSA-N 0 3 306.450 2.187 20 30 DEEDHN CC(C)=CCN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112070984 794555108 /nfs/dbraw/zinc/55/51/08/794555108.db2.gz MQSHGQTYENMQCB-QJPTWQEYSA-N 0 3 303.328 2.091 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CCC(=C)C)C[C@H]1C(F)(F)F ZINC001112109364 794560358 /nfs/dbraw/zinc/56/03/58/794560358.db2.gz KVQCWHSICNXFDB-CHWSQXEVSA-N 0 3 302.340 2.345 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](C)OC)C1 ZINC001112109341 794560473 /nfs/dbraw/zinc/56/04/73/794560473.db2.gz IXNBRDQSQKGEMC-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCNCc1oc(CCC)nc1C ZINC001177269643 794630305 /nfs/dbraw/zinc/63/03/05/794630305.db2.gz TYDPTIPTBOCREC-CQSZACIVSA-N 0 3 323.437 2.123 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cncs2)[C@@H]1C ZINC001178434289 794912719 /nfs/dbraw/zinc/91/27/19/794912719.db2.gz GAHUVLAARFNFKJ-ZFWWWQNUSA-N 0 3 323.462 2.205 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2ccns2)[C@@H]1C ZINC001178503647 794945819 /nfs/dbraw/zinc/94/58/19/794945819.db2.gz JOUZGAUVCNPGOI-ZFWWWQNUSA-N 0 3 305.447 2.416 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CCCCC1)C2 ZINC001110224071 795002402 /nfs/dbraw/zinc/00/24/02/795002402.db2.gz HBSCYOBMLXUCSR-OWSLCNJRSA-N 0 3 318.461 2.327 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)/C=C\c2ccco2)CC1 ZINC001150910987 795265030 /nfs/dbraw/zinc/26/50/30/795265030.db2.gz KQYIKDJRGMGODK-SREVYHEPSA-N 0 3 318.417 2.466 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC001119694282 795340388 /nfs/dbraw/zinc/34/03/88/795340388.db2.gz GSKKLQLGMKYWDY-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCC[C@@H](O)CN(C)CCc1nccc(C(F)(F)F)n1 ZINC001119962701 795379658 /nfs/dbraw/zinc/37/96/58/795379658.db2.gz QQZBFCOJTWMHIS-LLVKDONJSA-N 0 3 303.328 2.297 20 30 DEEDHN C[C@@](O)(CN[C@@H]1C[C@H]1C(F)(F)F)C(F)(F)C(F)(F)F ZINC001120500280 795473896 /nfs/dbraw/zinc/47/38/96/795473896.db2.gz MOVWWZKTOSOFIX-HSUXUTPPSA-N 0 3 301.177 2.475 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2ncccc2C)C1 ZINC001181476533 795484154 /nfs/dbraw/zinc/48/41/54/795484154.db2.gz QUJHFZVNZCLUKU-HZPDHXFCSA-N 0 3 317.433 2.062 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cnns2)C1 ZINC001181629547 795509936 /nfs/dbraw/zinc/50/99/36/795509936.db2.gz LIDCGHFNXAAEOL-CZUORRHYSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCn1c(N2CCN(CC(C)C)CC2)nnc1C(C)(F)F ZINC001121527015 795644370 /nfs/dbraw/zinc/64/43/70/795644370.db2.gz KHMCZNQQSGYJGF-UHFFFAOYSA-N 0 3 313.396 2.354 20 30 DEEDHN C=CCn1c(C(F)F)nnc1N1CCN(C2CCCC2)CC1 ZINC001121601094 795658050 /nfs/dbraw/zinc/65/80/50/795658050.db2.gz XUNJZOTTXSNREZ-UHFFFAOYSA-N 0 3 311.380 2.466 20 30 DEEDHN N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001110300695 795678712 /nfs/dbraw/zinc/67/87/12/795678712.db2.gz JVTUIWDJYINBKV-MCIONIFRSA-N 0 3 313.442 2.104 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Br)c[nH]c1=O ZINC001121990066 795712924 /nfs/dbraw/zinc/71/29/24/795712924.db2.gz ZDLCLIVKUDSTJT-SECBINFHSA-N 0 3 314.183 2.172 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC001122087725 795724620 /nfs/dbraw/zinc/72/46/20/795724620.db2.gz PNBDDVKCPYZEIJ-CQSZACIVSA-N 0 3 316.449 2.342 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001122143968 795730776 /nfs/dbraw/zinc/73/07/76/795730776.db2.gz RZOGGSJQYKKOAJ-JYJNAYRXSA-N 0 3 323.481 2.191 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc2n(n1)CCNC2 ZINC001122289706 795743835 /nfs/dbraw/zinc/74/38/35/795743835.db2.gz RZZAQNRDLUORDT-AWEZNQCLSA-N 0 3 307.442 2.003 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001182893660 795775570 /nfs/dbraw/zinc/77/55/70/795775570.db2.gz LSMSPVWCOQUCQF-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 ZINC001182917566 795782005 /nfs/dbraw/zinc/78/20/05/795782005.db2.gz PUHNBSSLZKLTRK-SJLPKXTDSA-N 0 3 322.497 2.096 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001183055136 795799375 /nfs/dbraw/zinc/79/93/75/795799375.db2.gz QKOKHLJSDUHTMM-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCN(CC)c1nnc([C@@H]2CCCN(C)C2)n1CC(C)C ZINC001122787157 795805393 /nfs/dbraw/zinc/80/53/93/795805393.db2.gz XJTLECZPDWPRGG-OAHLLOKOSA-N 0 3 303.454 2.203 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3cnccc3C)C2)CCC1 ZINC001183185733 795818198 /nfs/dbraw/zinc/81/81/98/795818198.db2.gz SFBWOGVQERRXDP-QGZVFWFLSA-N 0 3 311.429 2.274 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC001183711890 795920050 /nfs/dbraw/zinc/92/00/50/795920050.db2.gz JXMUXKUHZIQEPM-OAHLLOKOSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cc(OC)no2)[C@@H](C)C1 ZINC001184078508 795989734 /nfs/dbraw/zinc/98/97/34/795989734.db2.gz PDZMQTRMHKYBAJ-KBPBESRZSA-N 0 3 321.421 2.224 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2ccn(CC)n2)[C@H](C)C1 ZINC001184079086 795989925 /nfs/dbraw/zinc/98/99/25/795989925.db2.gz STLLBTPXLVWXTB-CVEARBPZSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2cnc(C)o2)[C@@H](C)C1 ZINC001184312660 796031887 /nfs/dbraw/zinc/03/18/87/796031887.db2.gz SOGJPXXUJRJMLG-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001184424022 796062529 /nfs/dbraw/zinc/06/25/29/796062529.db2.gz HNAWMHAFWQAMSR-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001184668300 796103045 /nfs/dbraw/zinc/10/30/45/796103045.db2.gz IPZRDDIENZJQHK-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001184900429 796144181 /nfs/dbraw/zinc/14/41/81/796144181.db2.gz VPSXDCYZDWSJIH-QGZVFWFLSA-N 0 3 314.433 2.059 20 30 DEEDHN C#CCOc1ccc(CN2CCC(NC(=O)CC)CC2)cc1 ZINC001138558650 796235271 /nfs/dbraw/zinc/23/52/71/796235271.db2.gz CPUXGTYKEVCDGX-UHFFFAOYSA-N 0 3 300.402 2.189 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](n2cc(CNCC(C)C)nn2)C1 ZINC001185907964 796332456 /nfs/dbraw/zinc/33/24/56/796332456.db2.gz SIKPCQFUKNXSTG-MRXNPFEDSA-N 0 3 319.453 2.153 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001185881360 796333600 /nfs/dbraw/zinc/33/36/00/796333600.db2.gz GTKKKQLDQFCDOG-IKGGRYGDSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cnc(N)s1)C2 ZINC001139225872 796344426 /nfs/dbraw/zinc/34/44/26/796344426.db2.gz LYGCGRXNQGEERF-HOCLYGCPSA-N 0 3 323.462 2.299 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCC(=O)N[C@H](C)CCC)C1 ZINC001185960555 796344686 /nfs/dbraw/zinc/34/46/86/796344686.db2.gz ZAVGIGKVUCLTHH-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(Cc3ccccc3F)CC2)C1 ZINC001186200349 796371926 /nfs/dbraw/zinc/37/19/26/796371926.db2.gz GALSHSWXWFAPKM-MRXNPFEDSA-N 0 3 314.404 2.362 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC)Oc2cccc(C)c2)C1 ZINC001186249410 796379062 /nfs/dbraw/zinc/37/90/62/796379062.db2.gz AVPJKTCTOAGFPI-SJLPKXTDSA-N 0 3 314.429 2.366 20 30 DEEDHN N#Cc1cccc2c(CN3CCC(N4CCOC4=O)CC3)c[nH]c21 ZINC001139705866 796413961 /nfs/dbraw/zinc/41/39/61/796413961.db2.gz GBLUGUSHGWARCK-UHFFFAOYSA-N 0 3 324.384 2.456 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@@H](NC[C@H](F)CC)C1 ZINC001186968512 796467094 /nfs/dbraw/zinc/46/70/94/796467094.db2.gz ORROBBPEHFCPKV-ZIAGYGMSSA-N 0 3 321.396 2.199 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110390698 796495919 /nfs/dbraw/zinc/49/59/19/796495919.db2.gz ZQDXNAZVGOUFTD-KURKYZTESA-N 0 3 314.429 2.419 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001187691539 796564166 /nfs/dbraw/zinc/56/41/66/796564166.db2.gz AUMAGJQLSVYZDR-CYBMUJFWSA-N 0 3 306.793 2.176 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001187737642 796571724 /nfs/dbraw/zinc/57/17/24/796571724.db2.gz XDTHNCJRYVQXJW-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 ZINC001187988652 796611412 /nfs/dbraw/zinc/61/14/12/796611412.db2.gz OTJSAQOKGSFXDH-CYBMUJFWSA-N 0 3 300.333 2.399 20 30 DEEDHN CSc1nc(CN(C)[C@@H]2CCC3(C2)OCCO3)ccc1C#N ZINC001141945629 796700534 /nfs/dbraw/zinc/70/05/34/796700534.db2.gz HBAGLXNGXWQFTO-CQSZACIVSA-N 0 3 319.430 2.403 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001188894584 796739634 /nfs/dbraw/zinc/73/96/34/796739634.db2.gz DHDHROCOIARLKC-YESZJQIVSA-N 0 3 316.449 2.018 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H]2CN(CCOCC(C)C)C[C@H]21 ZINC001188903389 796740524 /nfs/dbraw/zinc/74/05/24/796740524.db2.gz SSQCTHIEZNVOEL-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189301431 796799398 /nfs/dbraw/zinc/79/93/98/796799398.db2.gz RWYJUVRMGNIPIY-YOEHRIQHSA-N 0 3 315.417 2.016 20 30 DEEDHN CCOCCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189301959 796799921 /nfs/dbraw/zinc/79/99/21/796799921.db2.gz VHLFDYIKRLJFRA-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN N#CC1(C(=O)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001143174857 796807582 /nfs/dbraw/zinc/80/75/82/796807582.db2.gz XSOSKNFJEDRJJB-SJORKVTESA-N 0 3 309.413 2.413 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](N(C)C[C@H]2CCCCO2)C1 ZINC001189575693 796851393 /nfs/dbraw/zinc/85/13/93/796851393.db2.gz XESKJQZWNBDUTI-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CN(CC2=CCCCC2)CCCO1 ZINC001149672584 796883687 /nfs/dbraw/zinc/88/36/87/796883687.db2.gz DYLPLJRQTLDCAK-GOSISDBHSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(C2CC2)C2CC2)C1 ZINC001150562473 796954252 /nfs/dbraw/zinc/95/42/52/796954252.db2.gz PMBZVRXWRZGNNW-INIZCTEOSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001150570941 796955962 /nfs/dbraw/zinc/95/59/62/796955962.db2.gz FKHHZQZZBSPCER-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)Cc2cccs2)CC1 ZINC001150896138 796989371 /nfs/dbraw/zinc/98/93/71/796989371.db2.gz SLIGZAGJINGILL-UHFFFAOYSA-N 0 3 322.474 2.464 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCn2nc(C)cc2C)C1 ZINC001190428762 797006917 /nfs/dbraw/zinc/00/69/17/797006917.db2.gz PCXURYCYVSHKKG-QGZVFWFLSA-N 0 3 318.465 2.389 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCOC[C@@H]2CCCO2)C1 ZINC001190436184 797007444 /nfs/dbraw/zinc/00/74/44/797007444.db2.gz SCJIPVWCNBIMAK-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2coc(C)c2)CC1 ZINC001151084396 797009996 /nfs/dbraw/zinc/00/99/96/797009996.db2.gz PTHOMNZZYOGBJD-UHFFFAOYSA-N 0 3 306.406 2.375 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2[nH]ccc2C)CC1 ZINC001151100055 797011570 /nfs/dbraw/zinc/01/15/70/797011570.db2.gz KGEUENRVYASZGI-UHFFFAOYSA-N 0 3 305.422 2.110 20 30 DEEDHN CC(C)n1cccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001151213462 797021798 /nfs/dbraw/zinc/02/17/98/797021798.db2.gz NAWSSMCQZQSZHO-UHFFFAOYSA-N 0 3 310.401 2.460 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC001151288551 797030572 /nfs/dbraw/zinc/03/05/72/797030572.db2.gz YETLLZPNVQKBFE-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COC/C=C\c2ccccc2)C1 ZINC001190899724 797095729 /nfs/dbraw/zinc/09/57/29/797095729.db2.gz MMNQYYAPFMLQSS-IEODJVTJSA-N 0 3 314.429 2.435 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001191391486 797186450 /nfs/dbraw/zinc/18/64/50/797186450.db2.gz AHGBHAJULVJQDT-OMCKNOPTSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2C)C1 ZINC001191607581 797236960 /nfs/dbraw/zinc/23/69/60/797236960.db2.gz OUQYROASSBFFDR-MRXNPFEDSA-N 0 3 320.408 2.483 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](N(C)CCOC(C)C)C2)cc1 ZINC001191666706 797244476 /nfs/dbraw/zinc/24/44/76/797244476.db2.gz NIYKKRQKNAKJFG-GOSISDBHSA-N 0 3 314.429 2.239 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCO[C@@H]2CC2(F)F)C1 ZINC001191727264 797248388 /nfs/dbraw/zinc/24/83/88/797248388.db2.gz IDQHWVYMBSQKQQ-CHWSQXEVSA-N 0 3 316.392 2.156 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCF)C1 ZINC001191801473 797265767 /nfs/dbraw/zinc/26/57/67/797265767.db2.gz WETRTESHQFFDBL-MRXNPFEDSA-N 0 3 303.381 2.341 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001191890080 797282394 /nfs/dbraw/zinc/28/23/94/797282394.db2.gz NRYSATJMFXQFIL-KGLIPLIRSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001191938426 797288676 /nfs/dbraw/zinc/28/86/76/797288676.db2.gz IPUVSRXGQHZFGT-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001153134470 797290530 /nfs/dbraw/zinc/29/05/30/797290530.db2.gz CWCSYKKWKOSQEH-NSHDSACASA-N 0 3 314.788 2.276 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCNCc1cc2ccccc2o1 ZINC001153135398 797290551 /nfs/dbraw/zinc/29/05/51/797290551.db2.gz SFJUJCCNGYMHGP-ZDUSSCGKSA-N 0 3 302.374 2.230 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 ZINC001192045739 797311016 /nfs/dbraw/zinc/31/10/16/797311016.db2.gz HKFGSIMOQIRBCW-CHWSQXEVSA-N 0 3 324.387 2.461 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccnn2C)CCCCC1 ZINC001152010061 797339783 /nfs/dbraw/zinc/33/97/83/797339783.db2.gz AKRQDEFEVABLJR-UHFFFAOYSA-N 0 3 304.438 2.153 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc2cc(C)ccn12 ZINC001153560792 797353843 /nfs/dbraw/zinc/35/38/43/797353843.db2.gz IYWIADKYRQFCFP-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001192484425 797403250 /nfs/dbraw/zinc/40/32/50/797403250.db2.gz ODYZDBVYDBHEQK-RAIGVLPGSA-N 0 3 312.797 2.063 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001192568894 797408092 /nfs/dbraw/zinc/40/80/92/797408092.db2.gz GDTXGUJZSJMTAH-HNNXBMFYSA-N 0 3 304.438 2.018 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccsc1COC ZINC001154004979 797441082 /nfs/dbraw/zinc/44/10/82/797441082.db2.gz SAKHVLASVZJTOK-CYBMUJFWSA-N 0 3 308.447 2.358 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)ccnc1OCC ZINC001154464299 797539459 /nfs/dbraw/zinc/53/94/59/797539459.db2.gz JFMNHWIDCDCQPF-OAHLLOKOSA-N 0 3 317.433 2.252 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001193336929 797547870 /nfs/dbraw/zinc/54/78/70/797547870.db2.gz BKYYIVDWMCDWID-NKIGNDQYSA-N 0 3 308.466 2.496 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001154541187 797558710 /nfs/dbraw/zinc/55/87/10/797558710.db2.gz XKXNYTNYNLIAFN-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2ccoc2)c1 ZINC001154588726 797569053 /nfs/dbraw/zinc/56/90/53/797569053.db2.gz OUHVSJDXVIBPSK-UHFFFAOYSA-N 0 3 301.321 2.200 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2ccccc2F)C1 ZINC001193837315 797633929 /nfs/dbraw/zinc/63/39/29/797633929.db2.gz VRCHQIBHKWDSPU-CQSZACIVSA-N 0 3 306.381 2.313 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)N(CC)CC#CCOC)CC1 ZINC001155028279 797664026 /nfs/dbraw/zinc/66/40/26/797664026.db2.gz WALBPLAWTFCXBG-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN CN(CCN(C)C(=O)c1cncc(C#N)c1)Cc1ccccc1 ZINC001194114689 797676928 /nfs/dbraw/zinc/67/69/28/797676928.db2.gz SXTBYJWMVJMSED-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C=C[C@@H](C(=O)N1CC[C@H](N(C)CCOC)C1)c1ccccc1 ZINC001194183108 797688888 /nfs/dbraw/zinc/68/88/88/797688888.db2.gz JZVXOEBOAPOTLS-DLBZAZTESA-N 0 3 302.418 2.135 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@H](N(C)CCOC)C1)c1ccccc1 ZINC001194183112 797689148 /nfs/dbraw/zinc/68/91/48/797689148.db2.gz JZVXOEBOAPOTLS-IRXDYDNUSA-N 0 3 302.418 2.135 20 30 DEEDHN C=C(Br)CNCCCNC(=O)/C=C(/C)C1CC1 ZINC001155165739 797698341 /nfs/dbraw/zinc/69/83/41/797698341.db2.gz NTIOLNQJGZAVHU-NTMALXAHSA-N 0 3 301.228 2.347 20 30 DEEDHN CCN1CCCC[C@H]1c1ccc(N2CCO[C@H](C#N)C2)nc1 ZINC001155342193 797737768 /nfs/dbraw/zinc/73/77/68/797737768.db2.gz QKXZNGACFQLMGA-CVEARBPZSA-N 0 3 300.406 2.357 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(F)cc(OC)cc1F ZINC001155387742 797746533 /nfs/dbraw/zinc/74/65/33/797746533.db2.gz HRHRRFVPPISELB-GFCCVEGCSA-N 0 3 324.371 2.437 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001194832955 797784501 /nfs/dbraw/zinc/78/45/01/797784501.db2.gz XALWMYLKVQPNEX-WNRNVDISSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)OCCC(C)C)CC1 ZINC001194869721 797788596 /nfs/dbraw/zinc/78/85/96/797788596.db2.gz AAZVHFCLZRZTBK-UHFFFAOYSA-N 0 3 323.481 2.461 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001195567211 797930072 /nfs/dbraw/zinc/93/00/72/797930072.db2.gz MAAUNFPPIQFQIR-DJIMGWMZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001156131573 797930929 /nfs/dbraw/zinc/93/09/29/797930929.db2.gz VCRSWPJOBBLECK-CQSZACIVSA-N 0 3 314.433 2.208 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CN(CCCOc2ccccc2)C[C@H]1C ZINC001206660171 797936622 /nfs/dbraw/zinc/93/66/22/797936622.db2.gz YYBPXSIFNAYKPJ-BFYDXBDKSA-N 0 3 315.417 2.052 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156218516 797951599 /nfs/dbraw/zinc/95/15/99/797951599.db2.gz QHZVVJZBIWWLCD-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCC(C)C)C[C@H]2O)CCC1 ZINC001195897234 797976876 /nfs/dbraw/zinc/97/68/76/797976876.db2.gz VSDLFHDLENIWMQ-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001196003825 797990584 /nfs/dbraw/zinc/99/05/84/797990584.db2.gz HUNPIFBACCKHIN-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCc2ncc(C)o2)CC1 ZINC001196107038 798008296 /nfs/dbraw/zinc/00/82/96/798008296.db2.gz GCFRDHRRNGDPLX-UHFFFAOYSA-N 0 3 305.422 2.416 20 30 DEEDHN C#CCC1(C(=O)N2CCCN(C[C@@H](CC)OC)CC2)CCC1 ZINC001196137593 798010072 /nfs/dbraw/zinc/01/00/72/798010072.db2.gz DSUCUMPYEVMCRC-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(OC)ccn2)CC1 ZINC001196710366 798094263 /nfs/dbraw/zinc/09/42/63/798094263.db2.gz BNWCKOIRCGLXLL-UHFFFAOYSA-N 0 3 303.406 2.204 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ccc(F)cn1 ZINC001156923553 798111113 /nfs/dbraw/zinc/11/11/13/798111113.db2.gz YOMMMMYUVBKQQI-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001196946081 798130294 /nfs/dbraw/zinc/13/02/94/798130294.db2.gz IQDLASIAQNTZJN-KBRIMQKVSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001197010460 798135929 /nfs/dbraw/zinc/13/59/29/798135929.db2.gz SKNJZYAJYPZNLS-KBRIMQKVSA-N 0 3 320.408 2.057 20 30 DEEDHN Cc1ccn(C)c1C(=O)NCCCNCc1ccccc1C#N ZINC001157110538 798145007 /nfs/dbraw/zinc/14/50/07/798145007.db2.gz GOXDMXTXVFVSCX-UHFFFAOYSA-N 0 3 310.401 2.115 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001157132190 798147920 /nfs/dbraw/zinc/14/79/20/798147920.db2.gz 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ZINC001165913888 799793925 /nfs/dbraw/zinc/79/39/25/799793925.db2.gz NFTCKYPHBLLGHJ-UHFFFAOYSA-N 0 3 308.451 2.189 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2cccnc2OC)CC1 ZINC001165914216 799794331 /nfs/dbraw/zinc/79/43/31/799794331.db2.gz WINQGVAHINLWOU-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCc2ccon2)CC1 ZINC001166184370 799838357 /nfs/dbraw/zinc/83/83/57/799838357.db2.gz SUBUKFCWYDPDQW-UHFFFAOYSA-N 0 3 311.813 2.236 20 30 DEEDHN C#CCC1(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000933299463 800064109 /nfs/dbraw/zinc/06/41/09/800064109.db2.gz SPMUFEOFLWWQFI-OAHLLOKOSA-N 0 3 313.357 2.236 20 30 DEEDHN CCCCCCN(C)CC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 ZINC001203505398 800064831 /nfs/dbraw/zinc/06/48/31/800064831.db2.gz CPLARMPTIREFRA-HZPDHXFCSA-N 0 3 320.481 2.039 20 30 DEEDHN N#Cc1cccc(N2CCN(Cc3ccc(O)cc3O)CC2)c1 ZINC001204279964 800200078 /nfs/dbraw/zinc/20/00/78/800200078.db2.gz GQKABUJAGVNWFS-UHFFFAOYSA-N 0 3 309.369 2.292 20 30 DEEDHN CC(C)(C)N1CCN[C@H](c2nc(-c3cccc(C#N)c3)no2)C1 ZINC001205016286 800286599 /nfs/dbraw/zinc/28/65/99/800286599.db2.gz ADMVYYGWGADELP-AWEZNQCLSA-N 0 3 311.389 2.353 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCCF)CC[C@H]1c1ccc(F)cc1 ZINC001205299741 800339638 /nfs/dbraw/zinc/33/96/38/800339638.db2.gz BFMBTUAHUJMGOA-DLBZAZTESA-N 0 3 320.383 2.483 20 30 DEEDHN Cc1oc(NC(=O)CN[C@H]2CCOC23CCCC3)c(C#N)c1C ZINC000934395078 800342663 /nfs/dbraw/zinc/34/26/63/800342663.db2.gz JINQFEUBIGIDLY-AWEZNQCLSA-N 0 3 317.389 2.398 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC001205922104 800444333 /nfs/dbraw/zinc/44/43/33/800444333.db2.gz RZDSQTXNJVOBQO-NTZNESFSSA-N 0 3 308.451 2.251 20 30 DEEDHN C=C(CN1CCCC1)c1nc(-c2ncc(OC)cc2OC)no1 ZINC001206100096 800473820 /nfs/dbraw/zinc/47/38/20/800473820.db2.gz IYFPHIBVUNRLMK-UHFFFAOYSA-N 0 3 316.361 2.258 20 30 DEEDHN CC[C@@H](C#Cc1ccccc1)OCCCN1CCN(C)CC1 ZINC001206595802 800561829 /nfs/dbraw/zinc/56/18/29/800561829.db2.gz INWYVYBBUSFTLH-IBGZPJMESA-N 0 3 300.446 2.471 20 30 DEEDHN O=C(C(F)F)N1CCC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001206983846 800647146 /nfs/dbraw/zinc/64/71/46/800647146.db2.gz CBTXZPZAOBONCZ-AWEZNQCLSA-N 0 3 310.319 2.023 20 30 DEEDHN CSCC(=O)N1CCC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001207151014 800696697 /nfs/dbraw/zinc/69/66/97/800696697.db2.gz KQXBOARNYLNIEY-INIZCTEOSA-N 0 3 320.433 2.121 20 30 DEEDHN C=CCN(CCN1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001207206235 800710022 /nfs/dbraw/zinc/71/00/22/800710022.db2.gz SOZMZNCWPKODIC-UHFFFAOYSA-N 0 3 323.481 2.437 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000935663026 800726760 /nfs/dbraw/zinc/72/67/60/800726760.db2.gz NNUPOEJGZHTYRE-HNNXBMFYSA-N 0 3 313.401 2.314 20 30 DEEDHN N#CCSCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001207429789 800750049 /nfs/dbraw/zinc/75/00/49/800750049.db2.gz FPMSTDUDFJRJFS-SNVBAGLBSA-N 0 3 322.261 2.143 20 30 DEEDHN CCO[C@H](C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207460921 800757698 /nfs/dbraw/zinc/75/76/98/800757698.db2.gz CMAGTOTWSBRFHF-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001207680606 800805557 /nfs/dbraw/zinc/80/55/57/800805557.db2.gz QQJGUWPEQCJIPB-CQSZACIVSA-N 0 3 323.824 2.018 20 30 DEEDHN Cc1ncc(CN[C@H]2CCCN(C(=O)C#CC(C)C)C2)s1 ZINC001207995288 800886705 /nfs/dbraw/zinc/88/67/05/800886705.db2.gz DQSLQPNHXAVUCZ-AWEZNQCLSA-N 0 3 305.447 2.192 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001208213594 800932234 /nfs/dbraw/zinc/93/22/34/800932234.db2.gz SHZDDUFCOCPKGX-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@@H](NCc3cccnc3)C2)CCC1 ZINC001208318432 800954127 /nfs/dbraw/zinc/95/41/27/800954127.db2.gz AILGHPHCDLURCO-QGZVFWFLSA-N 0 3 311.429 2.356 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001208571736 801015857 /nfs/dbraw/zinc/01/58/57/801015857.db2.gz RSICHUAAMRTYRK-RBSFLKMASA-N 0 3 322.474 2.491 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001208919150 801093273 /nfs/dbraw/zinc/09/32/73/801093273.db2.gz PMXAZWAITQYKKV-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1cnc(O[C@@H]2CCN(CCc3ccc(C#N)cc3)C2)nc1 ZINC001208927674 801094566 /nfs/dbraw/zinc/09/45/66/801094566.db2.gz BSPQDQYFBNPPOK-QGZVFWFLSA-N 0 3 308.385 2.353 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001209145925 801135622 /nfs/dbraw/zinc/13/56/22/801135622.db2.gz JNDKVOIDHPIADQ-WMLDXEAASA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@H](NCc2ccns2)C1 ZINC001209158313 801138751 /nfs/dbraw/zinc/13/87/51/801138751.db2.gz XDFRQUZRKXWDLW-AWEZNQCLSA-N 0 3 305.447 2.417 20 30 DEEDHN C=CCCCCN1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001209201338 801148985 /nfs/dbraw/zinc/14/89/85/801148985.db2.gz YOGIIWWVIYZFGP-QGZVFWFLSA-N 0 3 307.438 2.430 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001209336376 801172536 /nfs/dbraw/zinc/17/25/36/801172536.db2.gz XBTRDLHJKVNBBI-CQSZACIVSA-N 0 3 319.453 2.365 20 30 DEEDHN CCOC(=O)C1(C#N)CCN(CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001209398271 801182775 /nfs/dbraw/zinc/18/27/75/801182775.db2.gz NBAYTKZDDPEEDH-KBPBESRZSA-N 0 3 308.422 2.359 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001209454705 801194949 /nfs/dbraw/zinc/19/49/49/801194949.db2.gz NLVMBGYIKYKYMJ-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)C(C)(F)F)CC1 ZINC001229244003 801247756 /nfs/dbraw/zinc/24/77/56/801247756.db2.gz UVBXPUOUBGOMGF-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cnccc1N)C2 ZINC001209726103 801265656 /nfs/dbraw/zinc/26/56/56/801265656.db2.gz ORSLNBLSCJYIOF-GOSISDBHSA-N 0 3 314.433 2.027 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C(C)C)no2)CC1 ZINC001229462602 801280955 /nfs/dbraw/zinc/28/09/55/801280955.db2.gz PPOPPGWGQJWUKR-UHFFFAOYSA-N 0 3 321.421 2.195 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001209866876 801298395 /nfs/dbraw/zinc/29/83/95/801298395.db2.gz WDCQTZCVSJJPAA-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001210198696 801349105 /nfs/dbraw/zinc/34/91/05/801349105.db2.gz PZTKZEBGBLJRHW-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC001230115291 801362955 /nfs/dbraw/zinc/36/29/55/801362955.db2.gz LPDZMDNLGFXRNP-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)CCOC)CC1 ZINC001230486311 801405437 /nfs/dbraw/zinc/40/54/37/801405437.db2.gz XMNKXHSJCDSTIS-OAHLLOKOSA-N 0 3 314.857 2.478 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001210804035 801467131 /nfs/dbraw/zinc/46/71/31/801467131.db2.gz DRXJYXKVZKBTND-GJZGRUSLSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2cccc(CC)c2)C1 ZINC001210836809 801473125 /nfs/dbraw/zinc/47/31/25/801473125.db2.gz TVQVZNQISCZZAP-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2)C1 ZINC001210836485 801473166 /nfs/dbraw/zinc/47/31/66/801473166.db2.gz ORTZIJGWEQSTAT-NVXWUHKLSA-N 0 3 302.418 2.386 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H](OC)C1 ZINC001213235413 801584972 /nfs/dbraw/zinc/58/49/72/801584972.db2.gz QZIFDJAIBSKVGZ-GDBMZVCRSA-N 0 3 321.421 2.193 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCC=C)C[C@H]2OC)cc1 ZINC001213250686 801585273 /nfs/dbraw/zinc/58/52/73/801585273.db2.gz HKPKPCVPKHEJRI-QZTJIDSGSA-N 0 3 312.413 2.063 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCOCC(F)(F)F ZINC001231121155 801585996 /nfs/dbraw/zinc/58/59/96/801585996.db2.gz AGTOBJZKTIQQIZ-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@H](OC)C1 ZINC001213491367 801614935 /nfs/dbraw/zinc/61/49/35/801614935.db2.gz MPDQEWNIYPHKKP-ZACQAIPSSA-N 0 3 320.408 2.479 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001231240546 801615434 /nfs/dbraw/zinc/61/54/34/801615434.db2.gz LYSOPPIOYSZOLO-UONOGXRCSA-N 0 3 316.392 2.157 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1nnn(C)c1C ZINC001231360599 801646780 /nfs/dbraw/zinc/64/67/80/801646780.db2.gz YEXBIEMCIVQTTG-OAHLLOKOSA-N 0 3 321.469 2.240 20 30 DEEDHN CN1CCN(Cc2ccc(Nc3ccncc3C#N)cc2)CC1 ZINC001214013119 801662918 /nfs/dbraw/zinc/66/29/18/801662918.db2.gz DUCXKZRHHIJJOO-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214188670 801685923 /nfs/dbraw/zinc/68/59/23/801685923.db2.gz ULWWAKAHENDBAH-HLLBOEOZSA-N 0 3 316.470 2.226 20 30 DEEDHN COC(=O)CC[C@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC001231620120 801697099 /nfs/dbraw/zinc/69/70/99/801697099.db2.gz PLFFMXBJWWYDMW-ZDUSSCGKSA-N 0 3 302.374 2.342 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214380278 801709380 /nfs/dbraw/zinc/70/93/80/801709380.db2.gz RAAIYSLQTUXSSK-VQIMIIECSA-N 0 3 308.425 2.441 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(OC)n2)C1 ZINC001214741676 801755440 /nfs/dbraw/zinc/75/54/40/801755440.db2.gz XAYSYKYVJGYQBU-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN N#Cc1ccnc(CN2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC001232478551 801897547 /nfs/dbraw/zinc/89/75/47/801897547.db2.gz NPCDCNQYKLWRPJ-SFHVURJKSA-N 0 3 304.353 2.049 20 30 DEEDHN Cc1c[nH]cc1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001216749829 802021823 /nfs/dbraw/zinc/02/18/23/802021823.db2.gz ATUHBQLOYCTOGI-VQIMIIECSA-N 0 3 321.424 2.425 20 30 DEEDHN CN(C)c1ccc(CN2CC(N3CCCCC3)C2)c(F)c1C#N ZINC001233102042 802025817 /nfs/dbraw/zinc/02/58/17/802025817.db2.gz MLFQZUCLDOPYDA-UHFFFAOYSA-N 0 3 316.424 2.433 20 30 DEEDHN C#CCCCCC(=O)N1CCO[C@@H]2CN(CCC(=C)C)C[C@@H]21 ZINC001217669074 802096945 /nfs/dbraw/zinc/09/69/45/802096945.db2.gz FILSTFGLUQIZFZ-DLBZAZTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001217988874 802128681 /nfs/dbraw/zinc/12/86/81/802128681.db2.gz YZWKBGHEXFIGHT-ZWKOTPCHSA-N 0 3 318.461 2.467 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218023444 802132368 /nfs/dbraw/zinc/13/23/68/802132368.db2.gz SZZDVOYUJQJJCX-JKSUJKDBSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001218523280 802197722 /nfs/dbraw/zinc/19/77/22/802197722.db2.gz JLMDVUGNPHWWRB-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN N#Cc1c2c(sc1NC(=O)[C@@H]1Cc3ccccc3N1)CNCC2 ZINC001218552376 802203929 /nfs/dbraw/zinc/20/39/29/802203929.db2.gz DSMISUQTWQFUHL-AWEZNQCLSA-N 0 3 324.409 2.241 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)C(F)(F)F)[C@H]2C1 ZINC001218566217 802207652 /nfs/dbraw/zinc/20/76/52/802207652.db2.gz MAPVJPSPJKDIJQ-FRRDWIJNSA-N 0 3 320.355 2.063 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC(=O)NCC ZINC001233836769 802220033 /nfs/dbraw/zinc/22/00/33/802220033.db2.gz IUBGWJVNNNTASP-OAHLLOKOSA-N 0 3 311.470 2.016 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@@H](O)C1 ZINC001219155242 802291909 /nfs/dbraw/zinc/29/19/09/802291909.db2.gz BAXXATGNWICJHO-BBWFWOEESA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCc2ccco2)[C@@H](O)C1 ZINC001219183959 802292745 /nfs/dbraw/zinc/29/27/45/802292745.db2.gz JEBDNGLXSRUTCU-SJORKVTESA-N 0 3 320.433 2.120 20 30 DEEDHN C[Si](C)(C)C#Cc1cccc(NC(=O)C[C@H]2CNCCO2)c1 ZINC001219311375 802309203 /nfs/dbraw/zinc/30/92/03/802309203.db2.gz YMTXGGPAKBRVTK-INIZCTEOSA-N 0 3 316.477 2.233 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)Cc2ccccc2)[C@@H](O)C1 ZINC001219884457 802388005 /nfs/dbraw/zinc/38/80/05/802388005.db2.gz DXZKXJPMAKSWGX-MSOLQXFVSA-N 0 3 318.461 2.361 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CC2(C)CCCCC2)[C@@H](O)C1 ZINC001219987574 802397757 /nfs/dbraw/zinc/39/77/57/802397757.db2.gz UNCXAGMBXWAASZ-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001220026513 802401995 /nfs/dbraw/zinc/40/19/95/802401995.db2.gz SWIPNYCCTDPWGO-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001234529412 802404822 /nfs/dbraw/zinc/40/48/22/802404822.db2.gz YNOAWYQMKXOQLI-DOTOQJQBSA-N 0 3 318.465 2.327 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2(CCF)CC2)[C@@H](O)C1 ZINC001220059685 802406595 /nfs/dbraw/zinc/40/65/95/802406595.db2.gz NHWJWINIZWVVCJ-CABCVRRESA-N 0 3 314.445 2.258 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCCCC=C)C[C@@H]1O ZINC001220146489 802414351 /nfs/dbraw/zinc/41/43/51/802414351.db2.gz ILCCNCJXQHSRAE-MSOLQXFVSA-N 0 3 320.477 2.478 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@@H]1O ZINC001220239846 802429515 /nfs/dbraw/zinc/42/95/15/802429515.db2.gz WOTIUUCFKKXBOP-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2ccccc2C)[C@@H](O)C1 ZINC001220421811 802456814 /nfs/dbraw/zinc/45/68/14/802456814.db2.gz AFXGANUGUPSZKU-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220471945 802464950 /nfs/dbraw/zinc/46/49/50/802464950.db2.gz HMLYKIJVDQJWDK-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN CC(C)(S)CNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220484839 802466817 /nfs/dbraw/zinc/46/68/17/802466817.db2.gz WNWPUPPXSAUCAS-LLVKDONJSA-N 0 3 320.380 2.400 20 30 DEEDHN C#CC1(F)CN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC001220610036 802478781 /nfs/dbraw/zinc/47/87/81/802478781.db2.gz CPHHVNHVOCXRPN-AWEZNQCLSA-N 0 3 323.437 2.498 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001220750000 802493260 /nfs/dbraw/zinc/49/32/60/802493260.db2.gz GILQMRSKKBBNRW-KFWWJZLASA-N 0 3 320.433 2.280 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001220913746 802511490 /nfs/dbraw/zinc/51/14/90/802511490.db2.gz KPOPGBAZFKYRMT-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221441677 802573787 /nfs/dbraw/zinc/57/37/87/802573787.db2.gz PESAJFFJRNQYDF-QZTJIDSGSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@H](C=C)CC)[C@@H]2C1 ZINC001221761728 802611894 /nfs/dbraw/zinc/61/18/94/802611894.db2.gz CKHBCLYGMRUAOC-BRWVUGGUSA-N 0 3 306.450 2.324 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(CCOCC)C[C@H]32)CC1 ZINC001221793424 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CCc1onc(C)c1CN1CCC(CNC(=O)[C@@H](C)C#N)CC1 ZINC001222658980 802722526 /nfs/dbraw/zinc/72/25/26/802722526.db2.gz TVVFZZSEFFKSBR-LBPRGKRZSA-N 0 3 318.421 2.033 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC001223202825 802772880 /nfs/dbraw/zinc/77/28/80/802772880.db2.gz NGXSJGSABFAMRM-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC001223437144 802790071 /nfs/dbraw/zinc/79/00/71/802790071.db2.gz RJTWTMMYXAGUSS-IRXDYDNUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H](C)c2c(C)noc2C)CC1 ZINC001223653941 802806280 /nfs/dbraw/zinc/80/62/80/802806280.db2.gz HHHSNBGIZKEMPD-ZDUSSCGKSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2ccc(F)cc2)CC1 ZINC001223747497 802812672 /nfs/dbraw/zinc/81/26/72/802812672.db2.gz OOVIQZKLXVHFGH-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC001224546966 802880046 /nfs/dbraw/zinc/88/00/46/802880046.db2.gz UNFQFSVPGBIOJK-OAHLLOKOSA-N 0 3 316.420 2.466 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CCN1CC[C@H](Oc2nc(C)c(Br)cc2C#N)C1 ZINC001228798980 803414717 /nfs/dbraw/zinc/41/47/17/803414717.db2.gz XAWRKRWTJWUDRA-NSHDSACASA-N 0 3 310.195 2.497 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)c2ccc[nH]2)C2CC2)s1 ZINC001370128272 1149397402 /nfs/dbraw/zinc/39/74/02/1149397402.db2.gz SIXORZFYTDUFRO-OAHLLOKOSA-N 0 3 314.414 2.246 20 30 DEEDHN CCC(=O)N(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC001331418845 1149439683 /nfs/dbraw/zinc/43/96/83/1149439683.db2.gz HVRSZDJZECWRMG-OAHLLOKOSA-N 0 3 316.405 2.409 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCc1cnc(OC)nc1C ZINC001331458245 1149466016 /nfs/dbraw/zinc/46/60/16/1149466016.db2.gz JMPFHFVUMXRUFD-ZDUSSCGKSA-N 0 3 320.437 2.086 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccnc(-c2ccco2)c1 ZINC001331475538 1149473622 /nfs/dbraw/zinc/47/36/22/1149473622.db2.gz PLCJKAZSRAMTNA-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COC/C=C\c1ccccc1 ZINC001331488063 1149477955 /nfs/dbraw/zinc/47/79/55/1149477955.db2.gz IPNGNXJLWSUIKW-QJWNTBNXSA-N 0 3 314.429 2.176 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C(C)(C)C1 ZINC001328098863 1148721036 /nfs/dbraw/zinc/72/10/36/1148721036.db2.gz QWLKAFOYKLRJCD-GDBMZVCRSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001343293958 1150730960 /nfs/dbraw/zinc/73/09/60/1150730960.db2.gz BFJFYXQJQUZYGI-HOTGVXAUSA-N 0 3 304.390 2.476 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC001343408767 1150739731 /nfs/dbraw/zinc/73/97/31/1150739731.db2.gz FQLHIXRDYILKFR-IRXDYDNUSA-N 0 3 322.497 2.153 20 30 DEEDHN CO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC001343509127 1150748310 /nfs/dbraw/zinc/74/83/10/1150748310.db2.gz MIRWIEVPZBIRTG-KBVBSXBZSA-N 0 3 310.712 2.161 20 30 DEEDHN CCSc1ccccc1CC(=O)C(C#N)C(=O)NC1CC1 ZINC001343590892 1150755451 /nfs/dbraw/zinc/75/54/51/1150755451.db2.gz RRYMVLPPDJIANM-CYBMUJFWSA-N 0 3 302.399 2.329 20 30 DEEDHN C=C[C@H](O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)C ZINC001343644676 1150759220 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C=C(Cl)CNCC[C@@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC001501647062 1059603669 /nfs/dbraw/zinc/60/36/69/1059603669.db2.gz AWTAFMZVMZTSQC-CQSZACIVSA-N 0 3 324.856 2.150 20 30 DEEDHN COCC#CCN1CCC2(CN(C(=O)CCCC3CC3)C2)CC1 ZINC001501742409 1059679208 /nfs/dbraw/zinc/67/92/08/1059679208.db2.gz YUTDQPHCUMQYJW-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccnc(-n3cccc3)c2)CCC1 ZINC001501966184 1059818061 /nfs/dbraw/zinc/81/80/61/1059818061.db2.gz CTXKPDYBRLDREI-UHFFFAOYSA-N 0 3 322.412 2.138 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(Cl)cc2C)CCO1 ZINC001502074990 1059911561 /nfs/dbraw/zinc/91/15/61/1059911561.db2.gz SPYWNGUZQMJTCM-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@H](CNC[C@H](F)CC)C1 ZINC001502079779 1059913201 /nfs/dbraw/zinc/91/32/01/1059913201.db2.gz XJGXIFSJIQVKMN-ZIAGYGMSSA-N 0 3 300.418 2.154 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC001470350832 1060087698 /nfs/dbraw/zinc/08/76/98/1060087698.db2.gz DEPLHFBIOBMHNC-RDHHWEPZSA-N 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/nfs/dbraw/zinc/24/50/54/1060245054.db2.gz VTVSNKBUSKTCFZ-ZBFHGGJFSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(NCc2ccn(CC)n2)CC1 ZINC001502772545 1060287812 /nfs/dbraw/zinc/28/78/12/1060287812.db2.gz PMGZTFBYLHXYTI-UHFFFAOYSA-N 0 3 304.438 2.340 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C(C)(C)C1 ZINC001502834455 1060347665 /nfs/dbraw/zinc/34/76/65/1060347665.db2.gz LFKVQTGJKFHEEP-CVEARBPZSA-N 0 3 316.449 2.074 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@](C)(C=C)CC)CC2)C1 ZINC001502846238 1060354330 /nfs/dbraw/zinc/35/43/30/1060354330.db2.gz YIAJZTDIQQUCMD-IBGZPJMESA-N 0 3 319.493 2.383 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCN(CCOCC2CC2)[C@H](C)C1 ZINC001502924623 1060400157 /nfs/dbraw/zinc/40/01/57/1060400157.db2.gz ZBFIZQWBJSPJST-NVXWUHKLSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccnc(OC)c1 ZINC001329048498 1148860945 /nfs/dbraw/zinc/86/09/45/1148860945.db2.gz NDKDMURLXPWGKU-KGLIPLIRSA-N 0 3 305.422 2.429 20 30 DEEDHN CC(C)C#CC(=O)N1CCC2(CC1)CN(CCC1CC1)CCO2 ZINC001503723621 1060463841 /nfs/dbraw/zinc/46/38/41/1060463841.db2.gz OUBNHHWGRDPDGR-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001505429663 1060579620 /nfs/dbraw/zinc/57/96/20/1060579620.db2.gz SDYFJXOAESFERY-HKUYNNGSSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C2CC2)nn1C ZINC001505431867 1060583551 /nfs/dbraw/zinc/58/35/51/1060583551.db2.gz AKDFQZZATPXOBK-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1onc2c1CCCC2 ZINC001505438822 1060603222 /nfs/dbraw/zinc/60/32/22/1060603222.db2.gz PIHKMRYNAWBAEL-ZDUSSCGKSA-N 0 3 303.406 2.276 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1cccn1C ZINC001505561055 1060713087 /nfs/dbraw/zinc/71/30/87/1060713087.db2.gz HPFXNMUTMYVQFY-VXGBXAGGSA-N 0 3 316.430 2.255 20 30 DEEDHN Cn1cc([C@@H]2C[C@H]2CN2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC001474474748 1060879327 /nfs/dbraw/zinc/87/93/27/1060879327.db2.gz 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1062178594 /nfs/dbraw/zinc/17/85/94/1062178594.db2.gz RJPJRTFENZCXQI-GJZGRUSLSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](N[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001480024906 1062204217 /nfs/dbraw/zinc/20/42/17/1062204217.db2.gz OKQBXAWWWLWVDY-FZMZJTMJSA-N 0 3 305.426 2.015 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001506629921 1062211856 /nfs/dbraw/zinc/21/18/56/1062211856.db2.gz DADOAXUOTNNOAN-OLZOCXBDSA-N 0 3 317.433 2.245 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C1CN(C[C@@H]2CCCCO2)C1 ZINC001506645062 1062230749 /nfs/dbraw/zinc/23/07/49/1062230749.db2.gz OZTYSDXAYPUSPK-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN CCCCC[C@H](C)CC(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001480117871 1062343745 /nfs/dbraw/zinc/34/37/45/1062343745.db2.gz JJFLEEPRTMMAIO-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001480203605 1062460823 /nfs/dbraw/zinc/46/08/23/1062460823.db2.gz QPEDLMJMNNMHPE-CALCHBBNSA-N 0 3 311.429 2.355 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(CCOC)CC2)C1 ZINC001506884881 1062471658 /nfs/dbraw/zinc/47/16/58/1062471658.db2.gz GIMUZEDGQBHWOW-JOCQHMNTSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001480256972 1062540563 /nfs/dbraw/zinc/54/05/63/1062540563.db2.gz INFXBPATMWBQNW-HNNXBMFYSA-N 0 3 310.397 2.437 20 30 DEEDHN C=CCNC(=O)CN(C)C1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC001506955017 1062585977 /nfs/dbraw/zinc/58/59/77/1062585977.db2.gz HMIIEBKYTKGTGC-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CN(C(=O)C1CC1)[C@@H](CNCc1cc(C#N)ccc1F)C1CC1 ZINC001506996144 1062647812 /nfs/dbraw/zinc/64/78/12/1062647812.db2.gz QCTZUTSGSOFXCA-KRWDZBQOSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](C)OCCC(C)C ZINC001480334393 1062671831 /nfs/dbraw/zinc/67/18/31/1062671831.db2.gz DORWZBPGAGFNFV-DLBZAZTESA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001480375505 1062744434 /nfs/dbraw/zinc/74/44/34/1062744434.db2.gz IIZKMULDBCBUMK-KMVAXQJASA-N 0 3 300.830 2.158 20 30 DEEDHN Cc1cc(CN[C@H](C)CN(C)C(=O)C#CC(C)(C)C)sn1 ZINC001507072079 1062781414 /nfs/dbraw/zinc/78/14/14/1062781414.db2.gz QTGOJZUCXBFUDR-CYBMUJFWSA-N 0 3 307.463 2.438 20 30 DEEDHN CCc1nc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)co1 ZINC001480450031 1062878831 /nfs/dbraw/zinc/87/88/31/1062878831.db2.gz VYXAVODGEZBSDZ-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NCc1ccc(C#N)s1 ZINC001480505927 1062959728 /nfs/dbraw/zinc/95/97/28/1062959728.db2.gz OAUFKUHFTNFVPO-XHBSWPGZSA-N 0 3 303.431 2.404 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2ccns2)[C@H]1C ZINC001507277331 1063020965 /nfs/dbraw/zinc/02/09/65/1063020965.db2.gz JOUZGAUVCNPGOI-UKRRQHHQSA-N 0 3 305.447 2.416 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001507307461 1063068701 /nfs/dbraw/zinc/06/87/01/1063068701.db2.gz USMKIUFDNYRFLW-YOEHRIQHSA-N 0 3 323.396 2.227 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(Cl)cn2CC)C1 ZINC001507332208 1063108044 /nfs/dbraw/zinc/10/80/44/1063108044.db2.gz UFRRBFSHUQWIHS-JSGCOSHPSA-N 0 3 307.825 2.377 20 30 DEEDHN Cc1cnoc1C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001507332376 1063108273 /nfs/dbraw/zinc/10/82/73/1063108273.db2.gz PDWUBGCXWWRPFL-NVXWUHKLSA-N 0 3 323.396 2.227 20 30 DEEDHN CCCC[C@@H](C(=O)N1CC[C@H](NCC#CCOC)C1)C(C)C ZINC001480624780 1063119681 /nfs/dbraw/zinc/11/96/81/1063119681.db2.gz UFJXUROMFAZYGJ-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)CCc3cnc[nH]3)CCC[C@H]12 ZINC001507357139 1063149841 /nfs/dbraw/zinc/14/98/41/1063149841.db2.gz PSKKJJQZCVOIQO-GOEBONIOSA-N 0 3 322.840 2.208 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001480666672 1063162781 /nfs/dbraw/zinc/16/27/81/1063162781.db2.gz UWXJIODUJGZZHY-HNNXBMFYSA-N 0 3 318.465 2.269 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCOCC)[C@H]2C)cc1 ZINC001507378055 1063192877 /nfs/dbraw/zinc/19/28/77/1063192877.db2.gz ZMGIBNLCHYWCSP-MAUKXSAKSA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H](NCc2nccn2C)C1 ZINC001480697988 1063208571 /nfs/dbraw/zinc/20/85/71/1063208571.db2.gz KFBQNNCNVDWUFW-LSDHHAIUSA-N 0 3 304.438 2.293 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H](NCc2nccn2C)C1 ZINC001480697985 1063208701 /nfs/dbraw/zinc/20/87/01/1063208701.db2.gz KFBQNNCNVDWUFW-CABCVRRESA-N 0 3 304.438 2.293 20 30 DEEDHN C#CCC[NH2+]CCc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001480708087 1063221882 /nfs/dbraw/zinc/22/18/82/1063221882.db2.gz LNRBDAXQRGWZPA-UHFFFAOYSA-N 0 3 322.408 2.478 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001480728169 1063257939 /nfs/dbraw/zinc/25/79/39/1063257939.db2.gz LOQPWRUUXGNQKX-QGZVFWFLSA-N 0 3 324.428 2.052 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3cnccc3o2)C1 ZINC001480731881 1063267292 /nfs/dbraw/zinc/26/72/92/1063267292.db2.gz SIIWSULHXYXPCA-OAHLLOKOSA-N 0 3 311.385 2.388 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](CCC)OCC)CC1 ZINC001508064661 1063531542 /nfs/dbraw/zinc/53/15/42/1063531542.db2.gz XCMUYNDKHIWQHM-WBVHZDCISA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001493104225 1063572900 /nfs/dbraw/zinc/57/29/00/1063572900.db2.gz AZUCNGBFORVRCS-GDBMZVCRSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)Cc2cncs2)c(F)c1 ZINC001508234941 1063623672 /nfs/dbraw/zinc/62/36/72/1063623672.db2.gz FDKKAVVHXCOLRC-UHFFFAOYSA-N 0 3 319.405 2.417 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001493219590 1063647087 /nfs/dbraw/zinc/64/70/87/1063647087.db2.gz LBFZNRMXCZIEGT-MRXNPFEDSA-N 0 3 309.413 2.172 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001493267653 1063680650 /nfs/dbraw/zinc/68/06/50/1063680650.db2.gz AGEJWVFTTHTUAW-WBVHZDCISA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC001493377048 1063756073 /nfs/dbraw/zinc/75/60/73/1063756073.db2.gz KNIGNTXUACPNLT-UHFFFAOYSA-N 0 3 316.401 2.228 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2c(c1)CCN2C)C1CC1 ZINC001493437488 1063794124 /nfs/dbraw/zinc/79/41/24/1063794124.db2.gz DDWMFMWCEWDMGS-UHFFFAOYSA-N 0 3 313.445 2.449 20 30 DEEDHN C=CCOCC(=O)N(C)CCNCc1c(C)cccc1Cl ZINC001493497979 1063834174 /nfs/dbraw/zinc/83/41/74/1063834174.db2.gz MINOYFNHDUDZOE-UHFFFAOYSA-N 0 3 310.825 2.399 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C1C=CC=CC=C1 ZINC001493560827 1063864180 /nfs/dbraw/zinc/86/41/80/1063864180.db2.gz UJXZERROEVBQMM-UHFFFAOYSA-N 0 3 313.426 2.466 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccc(N(C)C)nc1)c1ccccc1 ZINC001493895890 1064015239 /nfs/dbraw/zinc/01/52/39/1064015239.db2.gz RFANQOLMPSXECP-KRWDZBQOSA-N 0 3 324.428 2.394 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCCOC)C1 ZINC001493923616 1064024825 /nfs/dbraw/zinc/02/48/25/1064024825.db2.gz LWCJSHGWEZNYHJ-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CN(C)Cc2ccc(F)cn2)C1 ZINC001494125205 1064130997 /nfs/dbraw/zinc/13/09/97/1064130997.db2.gz MFUXBBDDJNWOAX-HNNXBMFYSA-N 0 3 317.408 2.305 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2cn(C)nc2C)C1 ZINC001494136506 1064135515 /nfs/dbraw/zinc/13/55/15/1064135515.db2.gz DUBPBGCULLXLRT-MRXNPFEDSA-N 0 3 318.465 2.365 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCCC[C@@H]1n1cccn1 ZINC001567335359 1064150507 /nfs/dbraw/zinc/15/05/07/1064150507.db2.gz TWAXVUSZVPKCRD-CVEARBPZSA-N 0 3 304.438 2.239 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN1CCOCC1CCC1 ZINC001567363293 1064159768 /nfs/dbraw/zinc/15/97/68/1064159768.db2.gz QJXTXKZHUXOKNO-KRWDZBQOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001567373398 1064167436 /nfs/dbraw/zinc/16/74/36/1064167436.db2.gz HMHAJPGMCPGTTH-AEFFLSMTSA-N 0 3 314.429 2.110 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CCO[C@H](CCC)C1 ZINC001567431450 1064196508 /nfs/dbraw/zinc/19/65/08/1064196508.db2.gz FVSNTQXRTHFEEQ-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C[C@@H](NCCN(C)C(=O)CSCC#N)c1ccccc1F ZINC001567466689 1064211855 /nfs/dbraw/zinc/21/18/55/1064211855.db2.gz MMABVCPTYNNWSP-GFCCVEGCSA-N 0 3 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DEEDHN CCc1ccc2c(c1)CCN(C(=O)C1CC3(C1)CNC[C@@H]3C#N)C2 ZINC001578263756 1067038766 /nfs/dbraw/zinc/03/87/66/1067038766.db2.gz WCGFETHFXSSSJL-FDYSRKEFSA-N 0 3 323.440 2.273 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1csc2nccn12 ZINC001499120205 1067104744 /nfs/dbraw/zinc/10/47/44/1067104744.db2.gz LTUBJIQNLPTCBI-ZDUSSCGKSA-N 0 3 318.446 2.095 20 30 DEEDHN CNC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)c(Cl)c1 ZINC001578563264 1067131540 /nfs/dbraw/zinc/13/15/40/1067131540.db2.gz QSTICJRSYNONPU-GFCCVEGCSA-N 0 3 322.796 2.049 20 30 DEEDHN C#CCCCCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001499205623 1067141085 /nfs/dbraw/zinc/14/10/85/1067141085.db2.gz XCJWIDFLXHLAFO-UHFFFAOYSA-N 0 3 309.413 2.490 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001266989716 1078484574 /nfs/dbraw/zinc/48/45/74/1078484574.db2.gz JKNATLAWZFYWSF-QGPMSJSTSA-N 0 3 302.393 2.174 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCN(CC#CCOC)C1 ZINC001499481998 1067235128 /nfs/dbraw/zinc/23/51/28/1067235128.db2.gz 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C=C1CC(C)(C(=O)NCCN(CC)CCO[C@H]2CC2(F)F)C1 ZINC001267251397 1078698761 /nfs/dbraw/zinc/69/87/61/1078698761.db2.gz FJVANJXZJCVHHP-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCN(CC)CCNC(=O)Cc1noc2ccc(F)cc12 ZINC001267252150 1078699154 /nfs/dbraw/zinc/69/91/54/1078699154.db2.gz DOGNDPYYWAMRBP-UHFFFAOYSA-N 0 3 305.353 2.134 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001571542033 1068408798 /nfs/dbraw/zinc/40/87/98/1068408798.db2.gz JHJJOKNEGVAKPH-GJZGRUSLSA-N 0 3 318.465 2.315 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)c2ccc(C)s2)CC1(C)C ZINC001571552541 1068416555 /nfs/dbraw/zinc/41/65/55/1068416555.db2.gz ZFYXKXTVPYHMLE-OAHLLOKOSA-N 0 3 320.458 2.147 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001571558993 1068420110 /nfs/dbraw/zinc/42/01/10/1068420110.db2.gz VMCPNQKSCZAHRD-OAHLLOKOSA-N 0 3 306.450 2.065 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001267263727 1078710897 /nfs/dbraw/zinc/71/08/97/1078710897.db2.gz 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1078745092 /nfs/dbraw/zinc/74/50/92/1078745092.db2.gz RJQBHMXLQPDMIF-VXGBXAGGSA-N 0 3 310.829 2.232 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001267299801 1078745750 /nfs/dbraw/zinc/74/57/50/1078745750.db2.gz FTALHSAEURDXDZ-MRXNPFEDSA-N 0 3 323.440 2.182 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001267305859 1078751376 /nfs/dbraw/zinc/75/13/76/1078751376.db2.gz OPVMYMDVFKENSH-HUUCEWRRSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](C)N(C(=O)CN(CC)CC)C1 ZINC001572399683 1068753134 /nfs/dbraw/zinc/75/31/34/1068753134.db2.gz CMVRCWBHXZDUOC-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001267357344 1078789362 /nfs/dbraw/zinc/78/93/62/1078789362.db2.gz MQGLAJZXWSRWCM-WMZOPIPTSA-N 0 3 314.429 2.438 20 30 DEEDHN C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1(F)F ZINC001514947665 1068815378 /nfs/dbraw/zinc/81/53/78/1068815378.db2.gz ITBQSJDOPNBWBW-WXHSDQCUSA-N 0 3 306.312 2.255 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001483686710 1078795454 /nfs/dbraw/zinc/79/54/54/1078795454.db2.gz UCHJPYVXXJZGLM-HNNXBMFYSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1csc(Cl)n1 ZINC001669909537 1081478589 /nfs/dbraw/zinc/47/85/89/1081478589.db2.gz GTMRMUJYTOCTHH-JTQLQIEISA-N 0 3 317.842 2.049 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCOC1 ZINC001644706862 1078857401 /nfs/dbraw/zinc/85/74/01/1078857401.db2.gz DQCDGMWPQHNELN-SOLBZPMBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC001574852646 1069277674 /nfs/dbraw/zinc/27/76/74/1069277674.db2.gz XMXBEUANQOSWMH-CHWSQXEVSA-N 0 3 310.781 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](COC)c1ccc(F)cc1 ZINC001574852270 1069277742 /nfs/dbraw/zinc/27/77/42/1069277742.db2.gz RCYFPUDAYNBROK-STQMWFEESA-N 0 3 300.761 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(C)c1C(=O)OC ZINC001574857412 1069279004 /nfs/dbraw/zinc/27/90/04/1069279004.db2.gz SHOCAIPMEWPQDT-LLVKDONJSA-N 0 3 310.781 2.498 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2cccc(C(=O)OC)c2C1 ZINC001574902739 1069291890 /nfs/dbraw/zinc/29/18/90/1069291890.db2.gz FDUYBQNVKCFUCF-INIZCTEOSA-N 0 3 316.401 2.042 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(NC(C)=O)cc1OC ZINC001574908190 1069293897 /nfs/dbraw/zinc/29/38/97/1069293897.db2.gz GSYLMFOGNDEVNF-ZDUSSCGKSA-N 0 3 305.378 2.276 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001267529110 1078961838 /nfs/dbraw/zinc/96/18/38/1078961838.db2.gz HKHGDEUCNSKELN-CRDPQAQWSA-N 0 3 306.450 2.345 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCn2cncc2C1)c1ccccc1 ZINC001267520572 1078950788 /nfs/dbraw/zinc/95/07/88/1078950788.db2.gz MJDFQTQPBQBMGO-WMZOPIPTSA-N 0 3 324.428 2.079 20 30 DEEDHN CCN(CCNC(=O)c1cccnc1)Cc1ccc(C#N)cc1 ZINC001480957751 1078956826 /nfs/dbraw/zinc/95/68/26/1078956826.db2.gz UGSUNJDTWFDVSK-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CC)CCc2cnn(CC)c2)C1 ZINC001480999506 1079044943 /nfs/dbraw/zinc/04/49/43/1079044943.db2.gz UTELJFILHRBEJG-UHFFFAOYSA-N 0 3 318.465 2.240 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cnn(CC2CCCC2)c1 ZINC001481007651 1079054690 /nfs/dbraw/zinc/05/46/90/1079054690.db2.gz FXDNVIHFIJZEOJ-UHFFFAOYSA-N 0 3 304.438 2.311 20 30 DEEDHN C=CCN(CC)CCNC(=O)Cc1nsc2ccccc12 ZINC001481018606 1079067980 /nfs/dbraw/zinc/06/79/80/1079067980.db2.gz OGBQANMSBOLCQK-UHFFFAOYSA-N 0 3 303.431 2.463 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)NCC2(NCC#CCOC)CC2)CC1 ZINC001670889277 1079085329 /nfs/dbraw/zinc/08/53/29/1079085329.db2.gz ALTYRJSYUUOROV-WKILWMFISA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2ccc(F)cc2Cl)CC1 ZINC001483764131 1079089232 /nfs/dbraw/zinc/08/92/32/1079089232.db2.gz DFKGYBNTLSLNTQ-UHFFFAOYSA-N 0 3 308.784 2.283 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2cccc3ccccc32)CC1 ZINC001483789300 1079122248 /nfs/dbraw/zinc/12/22/48/1079122248.db2.gz ZFPPJQPNWREXLT-UHFFFAOYSA-N 0 3 322.408 2.342 20 30 DEEDHN Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)C#CC2CC2)c1 ZINC001649448276 1079123354 /nfs/dbraw/zinc/12/33/54/1079123354.db2.gz MSQRFCSQYLRITP-AWEZNQCLSA-N 0 3 302.393 2.484 20 30 DEEDHN Cc1ncoc1CN(C)CC1CCN(C(=O)C#CC(C)C)CC1 ZINC001267599349 1079125334 /nfs/dbraw/zinc/12/53/34/1079125334.db2.gz LOJDKZOQFBLYIT-UHFFFAOYSA-N 0 3 317.433 2.313 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001483841987 1079154163 /nfs/dbraw/zinc/15/41/63/1079154163.db2.gz MTMIIRDHXKKOLF-IBGZPJMESA-N 0 3 318.461 2.163 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC001481097191 1079180224 /nfs/dbraw/zinc/18/02/24/1079180224.db2.gz XZUUDGNJYIBNNG-QWHCGFSZSA-N 0 3 322.371 2.094 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001481113897 1079198545 /nfs/dbraw/zinc/19/85/45/1079198545.db2.gz BGQPJRSJLPRTMM-HNNXBMFYSA-N 0 3 309.413 2.090 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001481126983 1079224703 /nfs/dbraw/zinc/22/47/03/1079224703.db2.gz XVTCJEQMUUQCSU-GTPINHCMSA-N 0 3 320.477 2.147 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)COC2CCC(C)CC2)C1 ZINC001481126467 1079225195 /nfs/dbraw/zinc/22/51/95/1079225195.db2.gz PUNBJRJSCGCLQB-AQFXKWCLSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001481139920 1079247119 /nfs/dbraw/zinc/24/71/19/1079247119.db2.gz GFRFGBQCGUALMO-CQSZACIVSA-N 0 3 304.438 2.238 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ncc(Cl)cc1Cl ZINC001481150096 1079257228 /nfs/dbraw/zinc/25/72/28/1079257228.db2.gz QLFNKFVLSSSZGZ-UHFFFAOYSA-N 0 3 314.216 2.463 20 30 DEEDHN CSC1CCC(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC001646791056 1074619898 /nfs/dbraw/zinc/61/98/98/1074619898.db2.gz XVCUDXQNXRAOKX-IZUSSWBTSA-N 0 3 321.490 2.164 20 30 DEEDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(C)c(C#N)c2)C1(C)C ZINC001646795616 1074622206 /nfs/dbraw/zinc/62/22/06/1074622206.db2.gz ABHFFTFVUYKRRH-YJBOKZPZSA-N 0 3 315.417 2.015 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001646898123 1074679975 /nfs/dbraw/zinc/67/99/75/1074679975.db2.gz KBUNQMLLDDYSLZ-ABAIWWIYSA-N 0 3 313.405 2.308 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC001647047978 1074772823 /nfs/dbraw/zinc/77/28/23/1074772823.db2.gz GKPWBWFMBPYTTJ-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(F)cncc2F)C1 ZINC001484162260 1079335907 /nfs/dbraw/zinc/33/59/07/1079335907.db2.gz YUHQUUSXDSTBMP-MRXNPFEDSA-N 0 3 309.360 2.378 20 30 DEEDHN CC(C)(C)C[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC001647566698 1074948119 /nfs/dbraw/zinc/94/81/19/1074948119.db2.gz WWTNKLKICJDNPM-UONOGXRCSA-N 0 3 321.446 2.141 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(C#N)cc1F ZINC001647594662 1074952592 /nfs/dbraw/zinc/95/25/92/1074952592.db2.gz ZENOWHBDOGSRMN-UHFFFAOYSA-N 0 3 315.348 2.494 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001484172109 1079344299 /nfs/dbraw/zinc/34/42/99/1079344299.db2.gz FQQITYDGBQPJJK-INIZCTEOSA-N 0 3 324.375 2.133 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001267653862 1079345054 /nfs/dbraw/zinc/34/50/54/1079345054.db2.gz ZNWCOFUBODMPKO-HNNXBMFYSA-N 0 3 304.438 2.057 20 30 DEEDHN Cc1ccn(C[C@@H](C)C(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001649268096 1075012293 /nfs/dbraw/zinc/01/22/93/1075012293.db2.gz DOVFRVXOHAFEDQ-SKDRFNHKSA-N 0 3 304.300 2.377 20 30 DEEDHN Cc1ccn(C[C@H](C)C(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001649268093 1075012320 /nfs/dbraw/zinc/01/23/20/1075012320.db2.gz DOVFRVXOHAFEDQ-CABZTGNLSA-N 0 3 304.300 2.377 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](OC)C(F)(F)F ZINC001565829520 1075015857 /nfs/dbraw/zinc/01/58/57/1075015857.db2.gz IFFDZZSAGAGEBN-VXGBXAGGSA-N 0 3 308.344 2.063 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@@]1(C)Br ZINC001556466965 1075032032 /nfs/dbraw/zinc/03/20/32/1075032032.db2.gz ULCUBPGLUKUUAR-DGCLKSJQSA-N 0 3 303.244 2.126 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001565864613 1075200330 /nfs/dbraw/zinc/20/03/30/1075200330.db2.gz ZLJOKBMEXCPDHZ-SAZUREKKSA-N 0 3 318.367 2.363 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)N(C)C ZINC001565966941 1075211421 /nfs/dbraw/zinc/21/14/21/1075211421.db2.gz ZHUPLCMJVZDGLT-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCCCCNCc1ccn(C)n1 ZINC001566004343 1075215249 /nfs/dbraw/zinc/21/52/49/1075215249.db2.gz GGIKCTQNIIIYEB-UHFFFAOYSA-N 0 3 318.465 2.188 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2c(C)noc2C)[C@H]1CC ZINC001566006834 1075215786 /nfs/dbraw/zinc/21/57/86/1075215786.db2.gz QDYWNWJIULNCKG-LSDHHAIUSA-N 0 3 321.421 2.077 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1csc(Cl)c1 ZINC001566063025 1075222482 /nfs/dbraw/zinc/22/24/82/1075222482.db2.gz QOGPPRQOWYLYEU-UHFFFAOYSA-N 0 3 314.838 2.055 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(C)Cc2cccnc2C)c1 ZINC001566489853 1075259046 /nfs/dbraw/zinc/25/90/46/1075259046.db2.gz ACAAZFWOANEZPK-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN CC#CCN(CCCNC(=O)CC[C@H]1CC[C@@H](C)O1)C1CC1 ZINC001566603792 1075295003 /nfs/dbraw/zinc/29/50/03/1075295003.db2.gz DCHYWWBZBLLHGJ-NVXWUHKLSA-N 0 3 306.450 2.328 20 30 DEEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cnnn2CC)C1 ZINC001566622055 1075299535 /nfs/dbraw/zinc/29/95/35/1075299535.db2.gz LLLLDQNHYUTFAZ-OAHLLOKOSA-N 0 3 321.469 2.463 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001566640488 1075302872 /nfs/dbraw/zinc/30/28/72/1075302872.db2.gz HEXYVAOBEAXWLQ-SQNIBIBYSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001566658236 1075306795 /nfs/dbraw/zinc/30/67/95/1075306795.db2.gz QBAZAWSGPSMYSN-KRWDZBQOSA-N 0 3 302.418 2.197 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCC2CCOCC2)CC1 ZINC001566693771 1075319548 /nfs/dbraw/zinc/31/95/48/1075319548.db2.gz XYDJUQVFCXDLDS-KRWDZBQOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccc(C#C)cn2)CC1 ZINC001566700213 1075320687 /nfs/dbraw/zinc/32/06/87/1075320687.db2.gz ZEBMTWFTTXUADU-UHFFFAOYSA-N 0 3 323.440 2.403 20 30 DEEDHN CC1(C(=O)NC[C@H](NCC#Cc2ccc(F)cc2)C2CC2)CC1 ZINC001566712194 1075324268 /nfs/dbraw/zinc/32/42/68/1075324268.db2.gz DOHJAKGHMAPHLE-KRWDZBQOSA-N 0 3 314.404 2.462 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001566805318 1075349799 /nfs/dbraw/zinc/34/97/99/1075349799.db2.gz JFQRPEAJNYQHCL-AVGNSLFASA-N 0 3 319.453 2.267 20 30 DEEDHN CCC[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001566817198 1075351943 /nfs/dbraw/zinc/35/19/43/1075351943.db2.gz HSKFRIRIFAFJLE-MGNMYUMUSA-N 0 3 306.450 2.184 20 30 DEEDHN C[C@H](CNC(=O)C#CC(C)(C)C)NCc1ccnc(Cl)c1 ZINC001567016267 1075416574 /nfs/dbraw/zinc/41/65/74/1075416574.db2.gz XQTASQCHQMQUSR-GFCCVEGCSA-N 0 3 307.825 2.379 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001567022418 1075418338 /nfs/dbraw/zinc/41/83/38/1075418338.db2.gz LBUQQBLZMOVCSM-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001567031863 1075419710 /nfs/dbraw/zinc/41/97/10/1075419710.db2.gz DZKKBEVLCILBCC-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001567052426 1075423997 /nfs/dbraw/zinc/42/39/97/1075423997.db2.gz DFVNXYFVWXBVKA-CABCVRRESA-N 0 3 320.408 2.063 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cncn2C)CCCC1 ZINC001567083164 1075429586 /nfs/dbraw/zinc/42/95/86/1075429586.db2.gz DSRHBFPZJIZIGV-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001567155093 1075446941 /nfs/dbraw/zinc/44/69/41/1075446941.db2.gz LWRSBJLSKZRKEW-BPLGCGBFSA-N 0 3 321.248 2.336 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001329428337 1148893881 /nfs/dbraw/zinc/89/38/81/1148893881.db2.gz PYLNPIGIYVKTAE-KDOFPFPSSA-N 0 3 322.424 2.398 20 30 DEEDHN CC[C@H](CNC(=O)CCOC(C)C)NCC#Cc1ccccc1 ZINC001267797183 1079501667 /nfs/dbraw/zinc/50/16/67/1079501667.db2.gz DBNSJLLETCQDGU-GOSISDBHSA-N 0 3 316.445 2.338 20 30 DEEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(-c3nnn[n-]3)ccc2N(C)C)C1 ZINC001588563975 1076455501 /nfs/dbraw/zinc/45/55/01/1076455501.db2.gz HAXSAIKLEYNNHW-CYBMUJFWSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(-c3nnn[n-]3)ccc2N(C)C)C1 ZINC001588563975 1076455507 /nfs/dbraw/zinc/45/55/07/1076455507.db2.gz HAXSAIKLEYNNHW-CYBMUJFWSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(-c3nn[n-]n3)ccc2N(C)C)C1 ZINC001588563975 1076455510 /nfs/dbraw/zinc/45/55/10/1076455510.db2.gz HAXSAIKLEYNNHW-CYBMUJFWSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(-c3nn[n-]n3)ccc2N(C)C)C1 ZINC001588563975 1076455514 /nfs/dbraw/zinc/45/55/14/1076455514.db2.gz HAXSAIKLEYNNHW-CYBMUJFWSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC[N@@H+](CCC[C@@H](C)O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632658 1076458194 /nfs/dbraw/zinc/45/81/94/1076458194.db2.gz YAXJARPWDDXYIJ-CYBMUJFWSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](CCC[C@@H](C)O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632658 1076458196 /nfs/dbraw/zinc/45/81/96/1076458196.db2.gz YAXJARPWDDXYIJ-CYBMUJFWSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@@H+](CCC[C@@H](C)O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632658 1076458200 /nfs/dbraw/zinc/45/82/00/1076458200.db2.gz YAXJARPWDDXYIJ-CYBMUJFWSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](CCC[C@@H](C)O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632658 1076458202 /nfs/dbraw/zinc/45/82/02/1076458202.db2.gz YAXJARPWDDXYIJ-CYBMUJFWSA-N 0 3 301.394 2.016 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1CCCCO1)NCC#Cc1ccccc1 ZINC001267802282 1079504400 /nfs/dbraw/zinc/50/44/00/1079504400.db2.gz UZOPYNVIJUIGCW-QZTJIDSGSA-N 0 3 314.429 2.092 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCC(=O)Nc1ccccc1 ZINC001267816839 1079512425 /nfs/dbraw/zinc/51/24/25/1079512425.db2.gz ZKDFAKUMACMBLD-CQSZACIVSA-N 0 3 317.433 2.322 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccnc(F)c1)C1CC1 ZINC001267847850 1079537736 /nfs/dbraw/zinc/53/77/36/1079537736.db2.gz COZXIXWTBTZCLZ-OAHLLOKOSA-N 0 3 311.788 2.461 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1OC ZINC001484398498 1079586547 /nfs/dbraw/zinc/58/65/47/1079586547.db2.gz AHQXGPUBDANYIN-ROUUACIJSA-N 0 3 314.429 2.053 20 30 DEEDHN C[C@H](C(=O)N(C)CCNCc1cccc(C#N)c1)C(C)(F)F ZINC001481281127 1079613702 /nfs/dbraw/zinc/61/37/02/1079613702.db2.gz AWUVDUNHIGTHSK-GFCCVEGCSA-N 0 3 309.360 2.398 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](OCC)C2CC2)cc1 ZINC001267938026 1079618416 /nfs/dbraw/zinc/61/84/16/1079618416.db2.gz HUVXYYIFACHBQK-SFHVURJKSA-N 0 3 314.429 2.231 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](OCC)C2CC2)cc1 ZINC001267938025 1079618468 /nfs/dbraw/zinc/61/84/68/1079618468.db2.gz HUVXYYIFACHBQK-GOSISDBHSA-N 0 3 314.429 2.231 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CCOC)CCC1 ZINC001484465860 1079621389 /nfs/dbraw/zinc/62/13/89/1079621389.db2.gz QOABHHZJVTVMSI-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCOCC(=O)NCCC1CCN(Cc2ccccn2)CC1 ZINC001267941954 1079622521 /nfs/dbraw/zinc/62/25/21/1079622521.db2.gz HEEHSWXIOHBDDI-UHFFFAOYSA-N 0 3 317.433 2.003 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2[C@H]1CCCN2C(=O)CN(C)C(C)C ZINC001484467924 1079623488 /nfs/dbraw/zinc/62/34/88/1079623488.db2.gz SUJZCPONGVQVBX-CABCVRRESA-N 0 3 313.873 2.144 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)Cn1cccn1 ZINC001484552925 1079657905 /nfs/dbraw/zinc/65/79/05/1079657905.db2.gz LCZQSSQHJVVIDO-UHFFFAOYSA-N 0 3 312.417 2.207 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2c(C)nn(C)c2C)cc1 ZINC001484560118 1079660790 /nfs/dbraw/zinc/66/07/90/1079660790.db2.gz CVVHUNZZSDBWNB-ZDUSSCGKSA-N 0 3 324.428 2.251 20 30 DEEDHN C=C(Cl)CN[C@@H](C)c1ccc(CNC(=O)c2nnc[nH]2)cc1 ZINC001484561446 1079660922 /nfs/dbraw/zinc/66/09/22/1079660922.db2.gz BMXWESOAYUIAFF-NSHDSACASA-N 0 3 319.796 2.138 20 30 DEEDHN Cn1ncc2c1C[C@H](C(=O)C(C#N)c1ncc(F)cc1F)CC2 ZINC001650520442 1079687838 /nfs/dbraw/zinc/68/78/38/1079687838.db2.gz OZKVINYGJNUGER-SKDRFNHKSA-N 0 3 316.311 2.075 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CCC1 ZINC001484658496 1079714981 /nfs/dbraw/zinc/71/49/81/1079714981.db2.gz DYNVOBMYWSPFIK-HZPDHXFCSA-N 0 3 306.450 2.089 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001484729777 1079752820 /nfs/dbraw/zinc/75/28/20/1079752820.db2.gz XCLBOTGCRSNYEI-IAGOWNOFSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)C1CC(OC)C1)c1ccccc1 ZINC001481364853 1079759897 /nfs/dbraw/zinc/75/98/97/1079759897.db2.gz HCTUAKJWDWSPCD-JCYILVPMSA-N 0 3 302.418 2.435 20 30 DEEDHN CO[C@H](C)C(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001484734895 1079769233 /nfs/dbraw/zinc/76/92/33/1079769233.db2.gz QFAJTRMLJKPJHV-CYBMUJFWSA-N 0 3 321.396 2.013 20 30 DEEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC001650735735 1079771234 /nfs/dbraw/zinc/77/12/34/1079771234.db2.gz VFUHMDNFCYGUCM-UHFFFAOYSA-N 0 3 301.350 2.111 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(CCOC2CCC2)C1 ZINC001671642988 1079785777 /nfs/dbraw/zinc/78/57/77/1079785777.db2.gz DAKKKJYFCDOYRG-SFHVURJKSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001485020385 1079919152 /nfs/dbraw/zinc/91/91/52/1079919152.db2.gz SHBWTKFJGHFYPZ-KRWDZBQOSA-N 0 3 318.461 2.089 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@H](CN(C)CCF)C1)OCC ZINC001481487992 1079946187 /nfs/dbraw/zinc/94/61/87/1079946187.db2.gz NHIKZKYHHDHNCE-LSDHHAIUSA-N 0 3 300.418 2.108 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CC(CNCc2cc3n(n2)CCC3)C1 ZINC001485099607 1079972342 /nfs/dbraw/zinc/97/23/42/1079972342.db2.gz BEYJCWNRVFLGLN-UHFFFAOYSA-N 0 3 316.449 2.026 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CC(CNCc2cnns2)C1 ZINC001485100011 1079973842 /nfs/dbraw/zinc/97/38/42/1079973842.db2.gz PAWLVAPMZPVLIN-UHFFFAOYSA-N 0 3 308.451 2.125 20 30 DEEDHN Cc1ccncc1CNC[C@H](C)N(C)C(=O)C#CC(C)(C)C ZINC001268063306 1080002534 /nfs/dbraw/zinc/00/25/34/1080002534.db2.gz MRDHTHINAKSLOP-HNNXBMFYSA-N 0 3 301.434 2.376 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1ccn(C)c1 ZINC001485137272 1080020941 /nfs/dbraw/zinc/02/09/41/1080020941.db2.gz PJTAIUVUGOCESN-HZPDHXFCSA-N 0 3 309.413 2.173 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1c(C)nnn1CC ZINC001268076954 1080027123 /nfs/dbraw/zinc/02/71/23/1080027123.db2.gz HWMLEXBVHITWMG-CYBMUJFWSA-N 0 3 321.469 2.145 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1c(C)noc1Cl ZINC001656097235 1080042365 /nfs/dbraw/zinc/04/23/65/1080042365.db2.gz IRTZGFMBPPCWAN-LBPRGKRZSA-N 0 3 311.813 2.288 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001485189067 1080054042 /nfs/dbraw/zinc/05/40/42/1080054042.db2.gz NBOOMOFYJVZJKK-KBPBESRZSA-N 0 3 311.385 2.131 20 30 DEEDHN C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001656200913 1080064201 /nfs/dbraw/zinc/06/42/01/1080064201.db2.gz LBPMDJUSYXTQIQ-JOCQHMNTSA-N 0 3 313.405 2.022 20 30 DEEDHN C=CCCC(=O)N[C@H](CN[C@@H](C)C(=O)N(C)C)C1CCCCC1 ZINC001268118224 1080086610 /nfs/dbraw/zinc/08/66/10/1080086610.db2.gz MSHITAANBFVDSC-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cnon1 ZINC001656448231 1080092313 /nfs/dbraw/zinc/09/23/13/1080092313.db2.gz NFKAPFFISPMZSE-MFKMUULPSA-N 0 3 312.801 2.043 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(C)no2)[C@@H](C)C1 ZINC001268131036 1080098366 /nfs/dbraw/zinc/09/83/66/1080098366.db2.gz XJUGNARTUSWVPS-XJKSGUPXSA-N 0 3 303.406 2.113 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccnn1C ZINC001656542296 1080100826 /nfs/dbraw/zinc/10/08/26/1080100826.db2.gz DAKRUUIPZWILRK-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2nccn2C)[C@H](C)C1 ZINC001268138003 1080105531 /nfs/dbraw/zinc/10/55/31/1080105531.db2.gz ONLRQAHVYWYCKZ-CABCVRRESA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC001656770951 1080121380 /nfs/dbraw/zinc/12/13/80/1080121380.db2.gz DEPKJJZCUUPYTE-KRWDZBQOSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001656779647 1080123177 /nfs/dbraw/zinc/12/31/77/1080123177.db2.gz FKKAKOAHGBZOLL-XLAORIBOSA-N 0 3 320.477 2.284 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ncc2n1CCCC2 ZINC001657079787 1080153940 /nfs/dbraw/zinc/15/39/40/1080153940.db2.gz PLHVMNDXYWAVSL-INIZCTEOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001485367558 1080171975 /nfs/dbraw/zinc/17/19/75/1080171975.db2.gz BCDBSJHDCUSULB-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](NCc1cncc(F)c1)C(C)C ZINC001268208262 1080194163 /nfs/dbraw/zinc/19/41/63/1080194163.db2.gz KDRYFXSGQCDMTC-INIZCTEOSA-N 0 3 305.397 2.111 20 30 DEEDHN CC#CCCCC(=O)NCC1CN(C[C@@H](O)C2CCCCC2)C1 ZINC001481640274 1080194871 /nfs/dbraw/zinc/19/48/71/1080194871.db2.gz FTNJNCRFTDRBTK-GOSISDBHSA-N 0 3 320.477 2.169 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H](NCc2ccccn2)C(C)C)c1 ZINC001268216064 1080202293 /nfs/dbraw/zinc/20/22/93/1080202293.db2.gz GTPHEXAOXBENDY-GOSISDBHSA-N 0 3 322.412 2.002 20 30 DEEDHN CCCC[C@@H](CNCc1cn(C)nc1C)NC(=O)C#CC(C)C ZINC001485464047 1080221600 /nfs/dbraw/zinc/22/16/00/1080221600.db2.gz SUYSXKVBVJPUSS-KRWDZBQOSA-N 0 3 318.465 2.153 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1coc(-c2cccnc2)n1 ZINC001268242333 1080223579 /nfs/dbraw/zinc/22/35/79/1080223579.db2.gz LAFAULWKIPWDAR-UHFFFAOYSA-N 0 3 314.389 2.317 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)[C@H]1CC12CCC2 ZINC001485469365 1080226363 /nfs/dbraw/zinc/22/63/63/1080226363.db2.gz VCJQJKHGBCVHAU-HZPDHXFCSA-N 0 3 306.450 2.091 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)CC[C@@H]21 ZINC001268264560 1080241737 /nfs/dbraw/zinc/24/17/37/1080241737.db2.gz UPFJFLAKVMMCFC-CFMJQPPZSA-N 0 3 318.461 2.161 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)CC[C@H]21 ZINC001268264599 1080242161 /nfs/dbraw/zinc/24/21/61/1080242161.db2.gz UPFJFLAKVMMCFC-GJWDQICYSA-N 0 3 318.461 2.161 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC001485485017 1080259075 /nfs/dbraw/zinc/25/90/75/1080259075.db2.gz NHPUHXBRMRAYSZ-INIZCTEOSA-N 0 3 324.428 2.099 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C[C@H]2CC=CCC2)C1 ZINC001485520792 1080279510 /nfs/dbraw/zinc/27/95/10/1080279510.db2.gz SGTILCRHAIAZMH-CVEARBPZSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCOCC1 ZINC001481673172 1080283388 /nfs/dbraw/zinc/28/33/88/1080283388.db2.gz WVDJEKBYVFZRCC-ILXRZTDVSA-N 0 3 310.413 2.145 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001485532524 1080288207 /nfs/dbraw/zinc/28/82/07/1080288207.db2.gz HCFLWEHTPRIQHN-HOCLYGCPSA-N 0 3 306.450 2.042 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)CCc1cccc(C)c1 ZINC001660242779 1080293111 /nfs/dbraw/zinc/29/31/11/1080293111.db2.gz KBOSHWQQDTWILY-UHFFFAOYSA-N 0 3 316.445 2.016 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CN(C[C@@H]2CCCCO2)CC1(C)C ZINC001485569904 1080301246 /nfs/dbraw/zinc/30/12/46/1080301246.db2.gz OQDCZMJOUDGKSR-HOTGVXAUSA-N 0 3 320.477 2.432 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(C[C@H]2CCCCO2)CC1(C)C ZINC001485569905 1080301847 /nfs/dbraw/zinc/30/18/47/1080301847.db2.gz OQDCZMJOUDGKSR-HZPDHXFCSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3CN(Cc4cccnc4)C[C@H]32)C1 ZINC001485620715 1080329075 /nfs/dbraw/zinc/32/90/75/1080329075.db2.gz TWHKNWHJKJFYOG-OSYLJGHBSA-N 0 3 311.429 2.232 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001485680157 1080364348 /nfs/dbraw/zinc/36/43/48/1080364348.db2.gz JAAVQLZKDFTTEM-RZDIXWSQSA-N 0 3 309.413 2.346 20 30 DEEDHN C[C@H](CCNCc1ccccc1C#N)NC(=O)c1ccn(C)c1 ZINC001268358721 1080367833 /nfs/dbraw/zinc/36/78/33/1080367833.db2.gz GRYABECBQSKZTA-CQSZACIVSA-N 0 3 310.401 2.195 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001485691975 1080376655 /nfs/dbraw/zinc/37/66/55/1080376655.db2.gz IBPGSWXMBCGYBC-AULYBMBSSA-N 0 3 310.829 2.213 20 30 DEEDHN C#CCCCC(=O)N(C)[C@H]1CCN(CCOCC2CCC2)C1 ZINC001481724648 1080390941 /nfs/dbraw/zinc/39/09/41/1080390941.db2.gz OLYVHZWXFMQIDJ-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C2(CC)CCCC2)CC1 ZINC001660943411 1080416824 /nfs/dbraw/zinc/41/68/24/1080416824.db2.gz YYKMZXZUKWWHCS-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001660980663 1080423968 /nfs/dbraw/zinc/42/39/68/1080423968.db2.gz RAGVNNIUVKCERU-WBVHZDCISA-N 0 3 322.474 2.383 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2snnc2CC)C1 ZINC001661004225 1080427258 /nfs/dbraw/zinc/42/72/58/1080427258.db2.gz UVICLNQDANLQOH-RYUDHWBXSA-N 0 3 308.451 2.259 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cccc2)CC1 ZINC001661078944 1080438754 /nfs/dbraw/zinc/43/87/54/1080438754.db2.gz RSTRBIZVBIMVGW-IRXDYDNUSA-N 0 3 313.445 2.433 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(CC)c[nH]c1=O ZINC001268411534 1080443187 /nfs/dbraw/zinc/44/31/87/1080443187.db2.gz NUEFOWOGUMQUNL-LLVKDONJSA-N 0 3 311.813 2.200 20 30 DEEDHN Cc1ncc(CNC[C@H](C2CC2)N(C)C(=O)C#CC2CC2)s1 ZINC001485809770 1080449985 /nfs/dbraw/zinc/44/99/85/1080449985.db2.gz YKKOZYJXFPWUFH-MRXNPFEDSA-N 0 3 317.458 2.192 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001485811988 1080469674 /nfs/dbraw/zinc/46/96/74/1080469674.db2.gz XKTRTRFFXCGGDP-SWLSCSKDSA-N 0 3 319.453 2.357 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001661378558 1080475554 /nfs/dbraw/zinc/47/55/54/1080475554.db2.gz YONAOQHLASHJHP-KKXNLOMOSA-N 0 3 308.425 2.322 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2cncc(F)c2)C1 ZINC001661462742 1080484195 /nfs/dbraw/zinc/48/41/95/1080484195.db2.gz CIZCLQHCTBYASD-WKILWMFISA-N 0 3 303.381 2.151 20 30 DEEDHN CC[C@@H](CNC(=O)c1cc(C)no1)NCC#Cc1ccccc1 ZINC001481790668 1080509225 /nfs/dbraw/zinc/50/92/25/1080509225.db2.gz QJRSUKASYDIZGD-INIZCTEOSA-N 0 3 311.385 2.133 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)c2cccnc2)C1 ZINC001661723625 1080513623 /nfs/dbraw/zinc/51/36/23/1080513623.db2.gz OIDAUGKPQWZPTA-INIZCTEOSA-N 0 3 313.445 2.211 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1cccc(Cl)n1 ZINC001481808659 1080518821 /nfs/dbraw/zinc/51/88/21/1080518821.db2.gz CTIJBHJYRSUWMP-ZDUSSCGKSA-N 0 3 307.825 2.379 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001662036460 1080563760 /nfs/dbraw/zinc/56/37/60/1080563760.db2.gz YVLRYDCLPVVHKO-HTXZXRQPSA-N 0 3 306.409 2.160 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)NCc1cccc(NC(C)=O)c1 ZINC001662207387 1080582306 /nfs/dbraw/zinc/58/23/06/1080582306.db2.gz IBKVUCIZRKGDKC-AWEZNQCLSA-N 0 3 315.417 2.043 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2OCC)CCCC1 ZINC001481889985 1080585838 /nfs/dbraw/zinc/58/58/38/1080585838.db2.gz KTTICEMXVZYVPX-CHWSQXEVSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CC1(CC(=O)NC[C@@H](C)NCC#CCOC)CCCCC1 ZINC001662362653 1080601462 /nfs/dbraw/zinc/60/14/62/1080601462.db2.gz XKKRUUUYWPWEMS-MRXNPFEDSA-N 0 3 306.450 2.257 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001662507830 1080613697 /nfs/dbraw/zinc/61/36/97/1080613697.db2.gz AOFFYABPYQXKED-ZDUSSCGKSA-N 0 3 313.376 2.443 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001481926747 1080617086 /nfs/dbraw/zinc/61/70/86/1080617086.db2.gz WOWOSHBSRDWAFM-OAHLLOKOSA-N 0 3 306.797 2.127 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001268489273 1080619400 /nfs/dbraw/zinc/61/94/00/1080619400.db2.gz RVLJSTCZZOLGNT-UYAOXDASSA-N 0 3 310.441 2.352 20 30 DEEDHN C#CCNCCN(CC)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001268496943 1080639635 /nfs/dbraw/zinc/63/96/35/1080639635.db2.gz UJLFDMBSPLXCAM-UHFFFAOYSA-N 0 3 304.821 2.443 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cn(C)nc2C(C)C)C1 ZINC001662872297 1080671291 /nfs/dbraw/zinc/67/12/91/1080671291.db2.gz KCCZTEUXBNLNNT-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1nccnc1C ZINC001662970729 1080681513 /nfs/dbraw/zinc/68/15/13/1080681513.db2.gz MCTUKFLEOTUVMJ-SUMWQHHRSA-N 0 3 304.438 2.372 20 30 DEEDHN Cc1ccncc1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001268523772 1080714372 /nfs/dbraw/zinc/71/43/72/1080714372.db2.gz OXOYGUMKKWOFDG-NSCUHMNNSA-N 0 3 320.396 2.338 20 30 DEEDHN CNC(=O)c1ccc(CNCc2cccc(OCC#N)c2)cc1 ZINC000079070440 1080749593 /nfs/dbraw/zinc/74/95/93/1080749593.db2.gz MJGWMBIGMFKBGV-UHFFFAOYSA-N 0 3 309.369 2.238 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001663696128 1080803703 /nfs/dbraw/zinc/80/37/03/1080803703.db2.gz IVWXCSDYVBFRIQ-QGZVFWFLSA-N 0 3 314.429 2.150 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCC(=O)N1CCCC[C@@H]1C ZINC001664164899 1080868693 /nfs/dbraw/zinc/86/86/93/1080868693.db2.gz IDNIOZMBRIPCCD-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CN[C@H](C)c2n[nH]c(C)n2)CC1 ZINC001268661385 1080922013 /nfs/dbraw/zinc/92/20/13/1080922013.db2.gz SQXQEDVKBMYAMI-VXGBXAGGSA-N 0 3 305.426 2.015 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cccc(OC)n1)c1ccccc1 ZINC001664598099 1080930730 /nfs/dbraw/zinc/93/07/30/1080930730.db2.gz HRZXTBHWCSGHPC-QGZVFWFLSA-N 0 3 323.396 2.174 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)C[C@H]2C=CCCC2)C1 ZINC001664722054 1080949073 /nfs/dbraw/zinc/94/90/73/1080949073.db2.gz PXEKPJQHQQOTBF-ZWKOTPCHSA-N 0 3 318.461 2.211 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H]2CCN(Cc3ccnn3C)C2)C1 ZINC001664739581 1080952871 /nfs/dbraw/zinc/95/28/71/1080952871.db2.gz ARCWIDHMGBLOMW-OAHLLOKOSA-N 0 3 316.449 2.105 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccncc1C(F)(F)F ZINC001268753764 1080969619 /nfs/dbraw/zinc/96/96/19/1080969619.db2.gz ROEBXOMRSFYGSW-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCOCC(=O)NCC1CN(Cc2c(C)cc(C)cc2C)C1 ZINC001665263298 1081007580 /nfs/dbraw/zinc/00/75/80/1081007580.db2.gz QWGHNQCLVWUNCV-UHFFFAOYSA-N 0 3 316.445 2.362 20 30 DEEDHN C=C(C)CN1CC(CNC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001665283902 1081009118 /nfs/dbraw/zinc/00/91/18/1081009118.db2.gz LTQPUVKAZZOQJC-CQSZACIVSA-N 0 3 304.438 2.021 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCC2 ZINC001665395912 1081023493 /nfs/dbraw/zinc/02/34/93/1081023493.db2.gz AUWCJDLFFXENOY-ILXRZTDVSA-N 0 3 314.433 2.083 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001665405367 1081025249 /nfs/dbraw/zinc/02/52/49/1081025249.db2.gz CQITWIPLAZWLNH-BQFCYCMXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)on1 ZINC001268947603 1081060061 /nfs/dbraw/zinc/06/00/61/1081060061.db2.gz VYPICTFQIASTAY-QEJZJMRPSA-N 0 3 319.405 2.002 20 30 DEEDHN C=CC[C@H](C)C(=O)N1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001268968097 1081068803 /nfs/dbraw/zinc/06/88/03/1081068803.db2.gz JXJAUNWQFVWZKN-MAUKXSAKSA-N 0 3 316.449 2.436 20 30 DEEDHN CC[C@@H](CNC(=O)c1ocnc1C)NCC#Cc1ccccc1 ZINC001665770980 1081080859 /nfs/dbraw/zinc/08/08/59/1081080859.db2.gz PXIHZIWSOYPPLC-INIZCTEOSA-N 0 3 311.385 2.133 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001269097239 1081115172 /nfs/dbraw/zinc/11/51/72/1081115172.db2.gz WSAKGIAMSATBBS-WMZOPIPTSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCCOC)C1 ZINC001666083158 1081121730 /nfs/dbraw/zinc/12/17/30/1081121730.db2.gz LDWSDOZRVKNUQM-AWEZNQCLSA-N 0 3 302.846 2.384 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001673478881 1081124825 /nfs/dbraw/zinc/12/48/25/1081124825.db2.gz SGIFITMWODJZBG-OAHLLOKOSA-N 0 3 314.429 2.427 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@@H](CC)C1 ZINC001269169070 1081148475 /nfs/dbraw/zinc/14/84/75/1081148475.db2.gz LNSVOSRVPTXYGZ-GJZGRUSLSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CCS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000710887585 1081161500 /nfs/dbraw/zinc/16/15/00/1081161500.db2.gz GPGRDUMMTPBEDW-ZBFHGGJFSA-N 0 3 308.447 2.002 20 30 DEEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001269234066 1081176490 /nfs/dbraw/zinc/17/64/90/1081176490.db2.gz NLOQVTZKWDVCLB-SFHVURJKSA-N 0 3 314.429 2.015 20 30 DEEDHN C=CCCC(=O)NCC1(NCc2n[nH]c(C3CC3)n2)CCCC1 ZINC001666748248 1081178410 /nfs/dbraw/zinc/17/84/10/1081178410.db2.gz XYGNEPKRQGVJAM-UHFFFAOYSA-N 0 3 317.437 2.167 20 30 DEEDHN CC(C)C#CC(=O)N1CCC2(CN(C[C@@H]3CC[C@@H](C)O3)C2)CC1 ZINC001666821235 1081183940 /nfs/dbraw/zinc/18/39/40/1081183940.db2.gz KGRYSCBVEXWNON-SJORKVTESA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2OCC)CCCC1 ZINC001482211698 1081192478 /nfs/dbraw/zinc/19/24/78/1081192478.db2.gz MZFRHSOBEVIUFO-CHWSQXEVSA-N 0 3 300.830 2.183 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001269295705 1081202372 /nfs/dbraw/zinc/20/23/72/1081202372.db2.gz HHTMLFIEXKQDNL-IAGOWNOFSA-N 0 3 316.449 2.007 20 30 DEEDHN Cc1conc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001667029824 1081203695 /nfs/dbraw/zinc/20/36/95/1081203695.db2.gz YJAOHTFNVFDTNX-HNNXBMFYSA-N 0 3 311.385 2.085 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H](C)Oc1ccccn1 ZINC001269331609 1081215744 /nfs/dbraw/zinc/21/57/44/1081215744.db2.gz KSDDYLQSEZPABP-LSDHHAIUSA-N 0 3 303.406 2.006 20 30 DEEDHN CCc1onc(C)c1CNC1(CNC(=O)[C@@H](C)C#N)CCCC1 ZINC001482213248 1081215788 /nfs/dbraw/zinc/21/57/88/1081215788.db2.gz IEEABTUJLQFXDI-LBPRGKRZSA-N 0 3 318.421 2.224 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC001269349149 1081223291 /nfs/dbraw/zinc/22/32/91/1081223291.db2.gz BEDNTHUDLZYDKY-OAHLLOKOSA-N 0 3 312.417 2.262 20 30 DEEDHN CN(CCN(C)C(=O)CSCC#N)Cc1ccc(CF)cc1 ZINC001667537077 1081261444 /nfs/dbraw/zinc/26/14/44/1081261444.db2.gz XUXGAKABUADSSS-UHFFFAOYSA-N 0 3 323.437 2.303 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccnn1CC(F)(F)F ZINC001667585750 1081265749 /nfs/dbraw/zinc/26/57/49/1081265749.db2.gz XJSODQKQGSLEDH-UHFFFAOYSA-N 0 3 318.343 2.025 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001667630787 1081268563 /nfs/dbraw/zinc/26/85/63/1081268563.db2.gz CIQFOXXNDOCNNT-UHFFFAOYSA-N 0 3 310.800 2.435 20 30 DEEDHN Cc1ncoc1CN1CC[C@H]2CN(C(=O)C#CC(C)C)CC[C@@H]21 ZINC001667686530 1081274180 /nfs/dbraw/zinc/27/41/80/1081274180.db2.gz GHLKYTBASJTRDL-HOTGVXAUSA-N 0 3 315.417 2.065 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1(CNCC(=O)NC(C)C)CCCC1 ZINC001269549530 1081286190 /nfs/dbraw/zinc/28/61/90/1081286190.db2.gz TXFXWYMAIDYQQS-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CC[NH2+]CC1(NC(=O)c2c(C)nc[n-]c2=O)CCCC1 ZINC001269572192 1081294624 /nfs/dbraw/zinc/29/46/24/1081294624.db2.gz KKAOVDRKTXFYQT-UHFFFAOYSA-N 0 3 318.421 2.089 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@H](C)C1CC1 ZINC001668015932 1081305688 /nfs/dbraw/zinc/30/56/88/1081305688.db2.gz METBLUVPAJYIMV-GHMZBOCLSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001668060318 1081311566 /nfs/dbraw/zinc/31/15/66/1081311566.db2.gz PVGWSPZTAWMAIC-ZDUSSCGKSA-N 0 3 307.825 2.350 20 30 DEEDHN N#CCSCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCCC1 ZINC001269655226 1081322123 /nfs/dbraw/zinc/32/21/23/1081322123.db2.gz QFTMPZNTEKCHMH-IYBDPMFKSA-N 0 3 321.490 2.499 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1 ZINC001269689742 1081334293 /nfs/dbraw/zinc/33/42/93/1081334293.db2.gz PAXXVUYZSBQLES-CQSZACIVSA-N 0 3 322.840 2.369 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001269696851 1081336110 /nfs/dbraw/zinc/33/61/10/1081336110.db2.gz DYTKYMZOFOVXHK-CYBMUJFWSA-N 0 3 315.870 2.214 20 30 DEEDHN C=CCC1(C(=O)N2CCC3(CN(C[C@@H](C)O)C3)CC2)CCC1 ZINC001482244884 1081376461 /nfs/dbraw/zinc/37/64/61/1081376461.db2.gz KTXVHZORIXQVLR-OAHLLOKOSA-N 0 3 306.450 2.038 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)C#CC2CC2)cc1F ZINC001668814945 1081401001 /nfs/dbraw/zinc/40/10/01/1081401001.db2.gz HALRRYWTTPUTOT-NSCUHMNNSA-N 0 3 316.376 2.010 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCCCCC)C2 ZINC001111320953 1081403829 /nfs/dbraw/zinc/40/38/29/1081403829.db2.gz QYWQUOIGMMAUOQ-ZACQAIPSSA-N 0 3 306.450 2.328 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001668864340 1081405233 /nfs/dbraw/zinc/40/52/33/1081405233.db2.gz FILNIKRNKSBPQM-PLNGDYQASA-N 0 3 300.446 2.344 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001668868576 1081405379 /nfs/dbraw/zinc/40/53/79/1081405379.db2.gz PUKRIUAAHHGVHZ-NCWIEVAOSA-N 0 3 312.413 2.084 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001668934880 1081410990 /nfs/dbraw/zinc/41/09/90/1081410990.db2.gz BRXZGWNINIORKF-URWSZGRFSA-N 0 3 306.356 2.354 20 30 DEEDHN C=CCCCC(=O)NC/C=C/CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001669008919 1081418723 /nfs/dbraw/zinc/41/87/23/1081418723.db2.gz NZYXUGQAQUQPNJ-XVJNWHFHSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CNCc1cccnc1 ZINC001270013346 1081426985 /nfs/dbraw/zinc/42/69/85/1081426985.db2.gz ANSYPPYAQBCJHH-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCc1cccc(F)c1F ZINC001669219121 1081439178 /nfs/dbraw/zinc/43/91/78/1081439178.db2.gz HJTRJBHTQORMBD-SNAWJCMRSA-N 0 3 306.356 2.183 20 30 DEEDHN C=C(C)CN1CC(N(CC)C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000950924579 1081443360 /nfs/dbraw/zinc/44/33/60/1081443360.db2.gz XKTSSWNDEBSLDD-CXAGYDPISA-N 0 3 316.449 2.184 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CCc2ccccn2)cc1 ZINC001270071068 1081443741 /nfs/dbraw/zinc/44/37/41/1081443741.db2.gz KYSQCTDNMHUFON-UHFFFAOYSA-N 0 3 307.397 2.053 20 30 DEEDHN Cc1coc(C(=O)N[C@H](C)CNCC#Cc2ccc(F)cc2)c1 ZINC001669376787 1081447913 /nfs/dbraw/zinc/44/79/13/1081447913.db2.gz MZXPSHHXGTULCA-CQSZACIVSA-N 0 3 314.360 2.487 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC(C)(C)C ZINC001270113064 1081453318 /nfs/dbraw/zinc/45/33/18/1081453318.db2.gz NWFTZLYPTRDLNZ-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)CC1CCCCCC1 ZINC001669674184 1081462519 /nfs/dbraw/zinc/46/25/19/1081462519.db2.gz PFHMCTQXSRUBFN-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)COC(C)(C)C)C2 ZINC001327523509 1081463458 /nfs/dbraw/zinc/46/34/58/1081463458.db2.gz CEMDMAMUZNXLHM-SFHVURJKSA-N 0 3 306.450 2.139 20 30 DEEDHN COc1cccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001669724279 1081464722 /nfs/dbraw/zinc/46/47/22/1081464722.db2.gz LPWDONZQAPDPGK-INIZCTEOSA-N 0 3 322.408 2.455 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001669783342 1081468873 /nfs/dbraw/zinc/46/88/73/1081468873.db2.gz TUYGVYAQWPCGQG-CYBMUJFWSA-N 0 3 310.825 2.479 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)COc1ccc(OC)c(C)c1 ZINC001669822210 1081472530 /nfs/dbraw/zinc/47/25/30/1081472530.db2.gz ULSFIPRMPLLIHR-CQSZACIVSA-N 0 3 306.406 2.005 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccnc1C(F)(F)F ZINC001669887249 1081476970 /nfs/dbraw/zinc/47/69/70/1081476970.db2.gz DHMYNWIUDBUXOL-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN CC[C@H](F)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001670205140 1081501764 /nfs/dbraw/zinc/50/17/64/1081501764.db2.gz QZGRLQSPJSAIJU-AWEZNQCLSA-N 0 3 309.360 2.384 20 30 DEEDHN COc1ccc(F)cc1CNC[C@@H](C)N(C)C(=O)C#CC1CC1 ZINC001482280722 1081504689 /nfs/dbraw/zinc/50/46/89/1081504689.db2.gz IWCVTZPEIRWQFU-CYBMUJFWSA-N 0 3 318.392 2.184 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)CNCc1cc(F)ccc1C#N ZINC001270393213 1081516075 /nfs/dbraw/zinc/51/60/75/1081516075.db2.gz JCRAHJAQPQIAJE-CQSZACIVSA-N 0 3 315.392 2.343 20 30 DEEDHN C#CCN(C(=O)c1occ2c1CCC2)C1CCN(CC=C)CC1 ZINC001671485527 1081519458 /nfs/dbraw/zinc/51/94/58/1081519458.db2.gz SONDMHGDQQPHPX-UHFFFAOYSA-N 0 3 312.413 2.494 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)C1(C)CC1 ZINC001482289370 1081526146 /nfs/dbraw/zinc/52/61/46/1081526146.db2.gz SPUDZJUWHHUMHD-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COCc2ccc(C)cc2)C1 ZINC001671649642 1081529871 /nfs/dbraw/zinc/52/98/71/1081529871.db2.gz TZTBNDLNRUCQJO-GOSISDBHSA-N 0 3 302.418 2.278 20 30 DEEDHN CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)CCCC)CC2)C1 ZINC001270518584 1081542124 /nfs/dbraw/zinc/54/21/24/1081542124.db2.gz BZKXWOGLOXLOLG-ROUUACIJSA-N 0 3 319.493 2.055 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001671849636 1081543444 /nfs/dbraw/zinc/54/34/44/1081543444.db2.gz XLOKXSUJUCHQJY-KRWDZBQOSA-N 0 3 320.477 2.457 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(OC)ccn2)C1 ZINC001671897161 1081547882 /nfs/dbraw/zinc/54/78/82/1081547882.db2.gz JJMPCISWRKUMJE-QGZVFWFLSA-N 0 3 303.406 2.108 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001672030659 1081558147 /nfs/dbraw/zinc/55/81/47/1081558147.db2.gz SWGAXQQHZCYNRN-MJGOQNOKSA-N 0 3 316.445 2.165 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@H](C)COC)C2)CC1 ZINC001672170523 1081563671 /nfs/dbraw/zinc/56/36/71/1081563671.db2.gz IMTICIOEHKLURF-FUHWJXTLSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H](O)C(C)C)c1ccccc1CC ZINC001672177649 1081563811 /nfs/dbraw/zinc/56/38/11/1081563811.db2.gz ZNZGPVLPFARUET-DLBZAZTESA-N 0 3 304.434 2.199 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)COC(C)C)C2)CC1 ZINC001672171480 1081564115 /nfs/dbraw/zinc/56/41/15/1081564115.db2.gz QJRROSCPNUFXBD-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(CCn2cccn2)C1 ZINC001270614844 1081564460 /nfs/dbraw/zinc/56/44/60/1081564460.db2.gz JEPYWVBYQAIDJN-DOTOQJQBSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)NCc2nnc(C)[nH]2)C1 ZINC001672208793 1081567147 /nfs/dbraw/zinc/56/71/47/1081567147.db2.gz HXEFQKWQQBBFTL-OCCSQVGLSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)OCc2ccncc2)C1 ZINC001270632154 1081575395 /nfs/dbraw/zinc/57/53/95/1081575395.db2.gz IFGRUAIPNDNHEC-CRAIPNDOSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COc2cc(C)ccc2C)C1 ZINC001270657695 1081587799 /nfs/dbraw/zinc/58/77/99/1081587799.db2.gz MXGQRHMDPNCIFT-SFHVURJKSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)CCOC)CC1 ZINC001672400838 1081593228 /nfs/dbraw/zinc/59/32/28/1081593228.db2.gz SWIUDQXWTNQDNN-UHFFFAOYSA-N 0 3 317.433 2.097 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)N(CC)CC)C1 ZINC001482331229 1081725661 /nfs/dbraw/zinc/72/56/61/1081725661.db2.gz XMYRBPXCBMSALD-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC2(C1)CCN(CC#CC)CC2)OCC ZINC001673009649 1081732049 /nfs/dbraw/zinc/73/20/49/1081732049.db2.gz XYAJEOJCCGFJNE-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(C)CCC(=O)NCc1cccc2c1CCN(C[C@H](C)O)C2 ZINC001673079977 1081737881 /nfs/dbraw/zinc/73/78/81/1081737881.db2.gz WMJPLOWKMHJOPX-HNNXBMFYSA-N 0 3 316.445 2.398 20 30 DEEDHN CC1(C)CN(CCOC2CCC2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001674018574 1081825184 /nfs/dbraw/zinc/82/51/84/1081825184.db2.gz NMKJCOQIMROLLD-KRWDZBQOSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001270919573 1081838365 /nfs/dbraw/zinc/83/83/65/1081838365.db2.gz OQYNEPWNWHNSHT-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COCc2ccc(C)cc2)C[C@@H]1C ZINC001674133932 1081840753 /nfs/dbraw/zinc/84/07/53/1081840753.db2.gz IMGBFAQGGUNWMA-WMZOPIPTSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccccc2Cl)C[C@@H]1C ZINC001674155151 1081849100 /nfs/dbraw/zinc/84/91/00/1081849100.db2.gz OJMNNHXLAFGBDD-KBPBESRZSA-N 0 3 320.820 2.321 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001674450017 1081873276 /nfs/dbraw/zinc/87/32/76/1081873276.db2.gz LIWXPXUCVKZAHA-FUHWJXTLSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001674450020 1081874097 /nfs/dbraw/zinc/87/40/97/1081874097.db2.gz LIWXPXUCVKZAHA-WMZOPIPTSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](CCC(C)C)NC(C)=O ZINC001674499211 1081883525 /nfs/dbraw/zinc/88/35/25/1081883525.db2.gz FMHOVPSFMJQSLT-IAGOWNOFSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)N(C)C ZINC001674500133 1081883705 /nfs/dbraw/zinc/88/37/05/1081883705.db2.gz WTDLEHVQMULOCQ-ROUUACIJSA-N 0 3 315.461 2.398 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCC(=O)N1CCCCC1 ZINC001271093031 1081907008 /nfs/dbraw/zinc/90/70/08/1081907008.db2.gz MCKSDQDVUTVOCV-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)SC)C1 ZINC001271094617 1081908606 /nfs/dbraw/zinc/90/86/06/1081908606.db2.gz YBMCAKNENXIOGG-OLZOCXBDSA-N 0 3 318.433 2.225 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001266290741 1081945896 /nfs/dbraw/zinc/94/58/96/1081945896.db2.gz KFRQEBRFLLISFL-UHFFFAOYSA-N 0 3 304.438 2.238 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCOc2ccc(C)cc2C)C1 ZINC001266322726 1081971398 /nfs/dbraw/zinc/97/13/98/1081971398.db2.gz MVDZIGADOMZXOI-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266330449 1081976641 /nfs/dbraw/zinc/97/66/41/1081976641.db2.gz DSCVCFYEQZMVMZ-WCXIOVBPSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001271220704 1081992989 /nfs/dbraw/zinc/99/29/89/1081992989.db2.gz QDUNTZISWDKXLO-AWEZNQCLSA-N 0 3 322.371 2.094 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC12CCN(Cc1ccccn1)CC2 ZINC001266371401 1082004920 /nfs/dbraw/zinc/00/49/20/1082004920.db2.gz XKJLGQJDYKZFQL-QGZVFWFLSA-N 0 3 311.429 2.356 20 30 DEEDHN CC(C)(C(=O)N[C@@H](CNCC#N)C1CCCCC1)N1CCCC1 ZINC001271340963 1082015376 /nfs/dbraw/zinc/01/53/76/1082015376.db2.gz MGSITKOALZWFRA-INIZCTEOSA-N 0 3 320.481 2.039 20 30 DEEDHN O=C(NC[C@@H](NCC#Cc1ccccc1)C1CC1)c1ccncc1 ZINC001266392354 1082015936 /nfs/dbraw/zinc/01/59/36/1082015936.db2.gz HAHHMTXBRHVGKF-LJQANCHMSA-N 0 3 319.408 2.231 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCC(=O)NC(C)C ZINC001482487850 1082041692 /nfs/dbraw/zinc/04/16/92/1082041692.db2.gz ANLQOAKTFJCLLN-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001266451558 1082046172 /nfs/dbraw/zinc/04/61/72/1082046172.db2.gz DYIVKKMJBGUZTG-MRXNPFEDSA-N 0 3 316.449 2.422 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001266465573 1082054871 /nfs/dbraw/zinc/05/48/71/1082054871.db2.gz XWBYHMSTZPXHBA-INIZCTEOSA-N 0 3 317.433 2.041 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1ccccc1OCC ZINC001266492799 1082071870 /nfs/dbraw/zinc/07/18/70/1082071870.db2.gz WYWDZKNDHMYXSM-HNNXBMFYSA-N 0 3 318.417 2.231 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H](CNC(=O)[C@H](C)C#N)C(C)C ZINC001482519713 1082139935 /nfs/dbraw/zinc/13/99/35/1082139935.db2.gz ZIFJTVKFHJGMMD-YGRLFVJLSA-N 0 3 308.451 2.150 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001266546344 1082140951 /nfs/dbraw/zinc/14/09/51/1082140951.db2.gz UCKNKOKUXBXWSF-KRWDZBQOSA-N 0 3 314.429 2.005 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(F)cc3cccnc32)C1 ZINC001266552358 1082150374 /nfs/dbraw/zinc/15/03/74/1082150374.db2.gz VOVXQKLHYGVTGP-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCCOCC1 ZINC001271805415 1082159262 /nfs/dbraw/zinc/15/92/62/1082159262.db2.gz AQPRGAHDOFDCHL-GOSISDBHSA-N 0 3 314.429 2.055 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1c[nH]c2c1cccc2C ZINC001266573037 1082167334 /nfs/dbraw/zinc/16/73/34/1082167334.db2.gz GJQYZUZPURUPPF-UHFFFAOYSA-N 0 3 311.429 2.480 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1COC[C@H]1c1ccccc1)C1CC1 ZINC001266600312 1082187670 /nfs/dbraw/zinc/18/76/70/1082187670.db2.gz PTAPQXLLQQWQFX-ROUUACIJSA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001670657366 1082205264 /nfs/dbraw/zinc/20/52/64/1082205264.db2.gz WJLRJJZQBCSYTP-CVEARBPZSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cccc(OC)n2)C1 ZINC001266612099 1082208027 /nfs/dbraw/zinc/20/80/27/1082208027.db2.gz HYWVWAJUWQFNME-HDJSIYSDSA-N 0 3 303.406 2.039 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001670706708 1082224790 /nfs/dbraw/zinc/22/47/90/1082224790.db2.gz CLBKWABNXRGOTE-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CN(CCNCC#Cc1ccccc1)C(=O)c1ccccc1O ZINC001266644572 1082243165 /nfs/dbraw/zinc/24/31/65/1082243165.db2.gz LQQHPAJIQDCTSI-UHFFFAOYSA-N 0 3 308.381 2.106 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001266750584 1082319655 /nfs/dbraw/zinc/31/96/55/1082319655.db2.gz ZCUMHJWIERTYOJ-YOEHRIQHSA-N 0 3 322.474 2.403 20 30 DEEDHN C#CCOCCC(=O)N(C)CCN(C)[C@H](C)c1ccccc1 ZINC001482596777 1082344340 /nfs/dbraw/zinc/34/43/40/1082344340.db2.gz XJTRTYCVVXLUKT-MRXNPFEDSA-N 0 3 302.418 2.178 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](CN[C@H](C)c2nncn2C)C1 ZINC001266804165 1082356815 /nfs/dbraw/zinc/35/68/15/1082356815.db2.gz CQIFEZGGFDSCDO-HUUCEWRRSA-N 0 3 319.453 2.061 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)CCNCc2cccc(F)c2)c1 ZINC001266831768 1082378467 /nfs/dbraw/zinc/37/84/67/1082378467.db2.gz LYHPZBCECSUUST-UHFFFAOYSA-N 0 3 311.360 2.064 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001272067069 1082391221 /nfs/dbraw/zinc/39/12/21/1082391221.db2.gz AZYKWUAXNMQYQO-GOSISDBHSA-N 0 3 314.429 2.102 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001266867607 1082414107 /nfs/dbraw/zinc/41/41/07/1082414107.db2.gz NKYBNOADGPTEHZ-GBDTVTBQSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(F)c(F)c(F)c1F ZINC001482644551 1082432811 /nfs/dbraw/zinc/43/28/11/1082432811.db2.gz PMKRKLWFEPDAGQ-UHFFFAOYSA-N 0 3 316.298 2.270 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266889164 1082433224 /nfs/dbraw/zinc/43/32/24/1082433224.db2.gz BWSMNQRXMJADSN-HIFRSBDPSA-N 0 3 320.383 2.357 20 30 DEEDHN COCCC(C)(C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266936743 1082463829 /nfs/dbraw/zinc/46/38/29/1082463829.db2.gz ZLPDMYKUVJHQRO-UHFFFAOYSA-N 0 3 317.433 2.169 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nncc2ccccc21 ZINC001482854251 1082531550 /nfs/dbraw/zinc/53/15/50/1082531550.db2.gz FFYILROACUKOFH-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)CCNCc2cnccc2C)nc1 ZINC001482963303 1082582570 /nfs/dbraw/zinc/58/25/70/1082582570.db2.gz IQNCZBGHTUUGOG-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001482976271 1082590661 /nfs/dbraw/zinc/59/06/61/1082590661.db2.gz DPUBVLYCZKHVQP-RDYIKARRSA-N 0 3 301.365 2.115 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1ccc(C(F)F)cc1 ZINC001483071031 1082690049 /nfs/dbraw/zinc/69/00/49/1082690049.db2.gz JQUJEYBPYDZESE-IHWYPQMZSA-N 0 3 322.355 2.150 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1sccc1C(F)F ZINC001483189131 1082797569 /nfs/dbraw/zinc/79/75/69/1082797569.db2.gz JRFSFZCJZLTZEB-SNVBAGLBSA-N 0 3 316.373 2.043 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001483214581 1082814788 /nfs/dbraw/zinc/81/47/88/1082814788.db2.gz OCOZYAQAZIZEPS-RYUDHWBXSA-N 0 3 323.437 2.291 20 30 DEEDHN Cc1csc(CNC[C@@H]2CCC[C@@H]2NC(=O)C#CC2CC2)n1 ZINC001272259994 1082824194 /nfs/dbraw/zinc/82/41/94/1082824194.db2.gz FGEYKORLJYXOGC-GJZGRUSLSA-N 0 3 317.458 2.239 20 30 DEEDHN C[C@@H](CNC(=O)c1cccnc1)N(C)Cc1cccc(C#N)c1 ZINC001409496407 1082923356 /nfs/dbraw/zinc/92/33/56/1082923356.db2.gz VWGAFWFXDQGQDJ-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)CCc1cccc(OC)c1F ZINC001483346381 1083119716 /nfs/dbraw/zinc/11/97/16/1083119716.db2.gz UOEDQASOOAIZRJ-ZDUSSCGKSA-N 0 3 308.397 2.389 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001276459497 1083448323 /nfs/dbraw/zinc/44/83/23/1083448323.db2.gz AXCWSUILTFCYFH-QWHCGFSZSA-N 0 3 318.465 2.218 20 30 DEEDHN N#Cc1ccc(CN2CC3(CCN3Cc3ccc[nH]3)C2)c(O)c1 ZINC001276494503 1083470786 /nfs/dbraw/zinc/47/07/86/1083470786.db2.gz UUEKVTCMMUCPDG-UHFFFAOYSA-N 0 3 308.385 2.052 20 30 DEEDHN N#Cc1ccc(C[NH+]2CC3(CCN3Cc3ccc[nH]3)C2)c([O-])c1 ZINC001276494503 1083470787 /nfs/dbraw/zinc/47/07/87/1083470787.db2.gz UUEKVTCMMUCPDG-UHFFFAOYSA-N 0 3 308.385 2.052 20 30 DEEDHN N#Cc1ccnc(CN2CCC3(CN(Cc4ccc[nH]4)C3)CC2)c1 ZINC001276686472 1083548303 /nfs/dbraw/zinc/54/83/03/1083548303.db2.gz DWWYAYPSLZCYES-UHFFFAOYSA-N 0 3 321.428 2.379 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001276725464 1083573035 /nfs/dbraw/zinc/57/30/35/1083573035.db2.gz ICFYUQOVTACWLK-SYQHCUMBSA-N 0 3 316.367 2.282 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001276762104 1083592307 /nfs/dbraw/zinc/59/23/07/1083592307.db2.gz QNZGJLOTGUYPPB-YOEHRIQHSA-N 0 3 318.417 2.178 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cc(C2CC2)no1 ZINC001276868063 1083655281 /nfs/dbraw/zinc/65/52/81/1083655281.db2.gz XWFQEHUIMUDQGK-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCn1cc(CN2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)cn1 ZINC001277018129 1083733439 /nfs/dbraw/zinc/73/34/39/1083733439.db2.gz DBUIEFKGANAOPU-FUHWJXTLSA-N 0 3 316.449 2.150 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856741 1083765913 /nfs/dbraw/zinc/76/59/13/1083765913.db2.gz CWCZARILAPDDLI-RDTXWAMCSA-N 0 3 319.449 2.499 20 30 DEEDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1cc(F)cc(C#N)c1)C2 ZINC001277126457 1083789737 /nfs/dbraw/zinc/78/97/37/1083789737.db2.gz FCWYSZBRSVGSIP-SCAQPMJSSA-N 0 3 315.392 2.244 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC001277252909 1083872305 /nfs/dbraw/zinc/87/23/05/1083872305.db2.gz RYMDONYBGJUZDM-UONOGXRCSA-N 0 3 318.367 2.330 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)COC(C)(C)C)C1 ZINC001277284996 1083893871 /nfs/dbraw/zinc/89/38/71/1083893871.db2.gz MOSLSJHEESTSTG-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN CCCCCCCCCNC(=S)NC[C@@H]1CNCCO1 ZINC001239353172 1083897469 /nfs/dbraw/zinc/89/74/69/1083897469.db2.gz DSZZGYAMTAUBCF-AWEZNQCLSA-N 0 3 301.500 2.190 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCC(=C)Cl)C1 ZINC001490911038 1083901196 /nfs/dbraw/zinc/90/11/96/1083901196.db2.gz BQQNPKPFBFZVDP-UMVBOHGHSA-N 0 3 300.830 2.205 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCOC)CCC1 ZINC001277360464 1083925942 /nfs/dbraw/zinc/92/59/42/1083925942.db2.gz YBQXYCGNXGULMV-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2(C(C)(F)F)CC2)CC1 ZINC001229233059 1083929728 /nfs/dbraw/zinc/92/97/28/1083929728.db2.gz CSQQTWOJQLCMSI-UHFFFAOYSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)[C@@H]2CCCO2)C1 ZINC001490947093 1083967319 /nfs/dbraw/zinc/96/73/19/1083967319.db2.gz LRSQLMIFHWGTTM-PYJNHQTQSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001490956345 1083970439 /nfs/dbraw/zinc/97/04/39/1083970439.db2.gz GDXYXFWWJCVFKS-BZUAXINKSA-N 0 3 322.836 2.233 20 30 DEEDHN C=C/C(C)=C/CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001490973655 1083978948 /nfs/dbraw/zinc/97/89/48/1083978948.db2.gz ANPRKGCFDKBYSH-YOOUKHOPSA-N 0 3 316.445 2.270 20 30 DEEDHN C#CCCCC(=O)N1CC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC001277517386 1084015134 /nfs/dbraw/zinc/01/51/34/1084015134.db2.gz WCPFISNADSPIFV-IBGZPJMESA-N 0 3 311.429 2.310 20 30 DEEDHN Cc1cnc(CNCC[C@@H](C)NC(=O)C#CC(C)(C)C)s1 ZINC001272774460 1084019103 /nfs/dbraw/zinc/01/91/03/1084019103.db2.gz VUAGCTBLTDKTDA-GFCCVEGCSA-N 0 3 307.463 2.485 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC001491119720 1084083239 /nfs/dbraw/zinc/08/32/39/1084083239.db2.gz HGKDZYGGYQMYTD-INIZCTEOSA-N 0 3 318.465 2.413 20 30 DEEDHN Cc1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)c1 ZINC001277681121 1084094211 /nfs/dbraw/zinc/09/42/11/1084094211.db2.gz RAZRDXZCGAFJJV-ROUUACIJSA-N 0 3 321.428 2.453 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)nc1 ZINC001277687168 1084097356 /nfs/dbraw/zinc/09/73/56/1084097356.db2.gz GYDUACMJIKEAMB-SFHVURJKSA-N 0 3 322.416 2.169 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001491135151 1084105523 /nfs/dbraw/zinc/10/55/23/1084105523.db2.gz WGTMZMCUVHUDMN-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1ncsc1CCN1CCCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001491205300 1084152745 /nfs/dbraw/zinc/15/27/45/1084152745.db2.gz QYEWBMUMWCKFGL-JSGCOSHPSA-N 0 3 320.462 2.124 20 30 DEEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1CNCc1cncc(F)c1 ZINC001491246963 1084185916 /nfs/dbraw/zinc/18/59/16/1084185916.db2.gz HJCOLOGOLPPFSY-QGZVFWFLSA-N 0 3 317.408 2.351 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCC(C)C)C1 ZINC001491281085 1084205024 /nfs/dbraw/zinc/20/50/24/1084205024.db2.gz QOCRIQDHPNMPER-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@H](C)C2CC2)CC2(CCOCC2)C1 ZINC001089932019 1084207968 /nfs/dbraw/zinc/20/79/68/1084207968.db2.gz AFRFMDXLAMZRID-ZBFHGGJFSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)[C@H]1CCCN(CC#CC)C1 ZINC001491289722 1084215321 /nfs/dbraw/zinc/21/53/21/1084215321.db2.gz OZQOVNNZZGVPJF-SJORKVTESA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)C(C)(C)C)C2)n1 ZINC001128132641 1084462233 /nfs/dbraw/zinc/46/22/33/1084462233.db2.gz ITPZVLMJUXNYMD-OAHLLOKOSA-N 0 3 316.449 2.098 20 30 DEEDHN CCOCCC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001235585063 1084471711 /nfs/dbraw/zinc/47/17/11/1084471711.db2.gz UGAPGECLUKOUAD-UHFFFAOYSA-N 0 3 321.396 2.062 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001078248534 1084614578 /nfs/dbraw/zinc/61/45/78/1084614578.db2.gz RCYMJSYINSIQHE-BZUAXINKSA-N 0 3 308.466 2.330 20 30 DEEDHN CC(=O)N[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC001078516242 1084710382 /nfs/dbraw/zinc/71/03/82/1084710382.db2.gz MJKURDGZXPOOJB-HZPDHXFCSA-N 0 3 301.365 2.234 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C12CCC2 ZINC001078816543 1084909017 /nfs/dbraw/zinc/90/90/17/1084909017.db2.gz OCEDMFFHMSFTLL-KBPBESRZSA-N 0 3 307.825 2.327 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(Cc3ccc(C)s3)C2)OCC1=O ZINC001272936859 1084920728 /nfs/dbraw/zinc/92/07/28/1084920728.db2.gz UFMFQKSFPHNUJD-QGZVFWFLSA-N 0 3 320.458 2.436 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(C)ccc2OC)C1 ZINC001486122235 1085076728 /nfs/dbraw/zinc/07/67/28/1085076728.db2.gz XIPQOMWCLOMFNW-NVXWUHKLSA-N 0 3 314.429 2.148 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccc(OC)cc2)C1 ZINC001486125513 1085078126 /nfs/dbraw/zinc/07/81/26/1085078126.db2.gz BSLRGHTZRBUDEO-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001486129938 1085078841 /nfs/dbraw/zinc/07/88/41/1085078841.db2.gz MUJMZPGCQAKORC-PBHICJAKSA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)COC3CCCC3)CCC[C@H]12 ZINC001486137773 1085083618 /nfs/dbraw/zinc/08/36/18/1085083618.db2.gz CPYWGBXYKDCSQV-WMZOPIPTSA-N 0 3 304.434 2.082 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCO)[C@@H]2C)CCCCC1 ZINC001486185236 1085112737 /nfs/dbraw/zinc/11/27/37/1085112737.db2.gz GLHMBCWHXZKJCE-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001486201363 1085126679 /nfs/dbraw/zinc/12/66/79/1085126679.db2.gz SFDXEDFJOLWAOB-STQMWFEESA-N 0 3 313.405 2.022 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1CC ZINC000960256361 1085167467 /nfs/dbraw/zinc/16/74/67/1085167467.db2.gz FRRUEXZYQXTIBG-NVXWUHKLSA-N 0 3 310.401 2.074 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(F)nc1 ZINC000960256144 1085167776 /nfs/dbraw/zinc/16/77/76/1085167776.db2.gz WBDOPUXLPVSOIM-NVXWUHKLSA-N 0 3 311.360 2.392 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]cc1C ZINC000960263367 1085171101 /nfs/dbraw/zinc/17/11/01/1085171101.db2.gz VUYVDAGUXJMNQU-NVXWUHKLSA-N 0 3 310.401 2.280 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]nc1C ZINC000960292655 1085184434 /nfs/dbraw/zinc/18/44/34/1085184434.db2.gz HAIZNVYFPCUDFD-IAGOWNOFSA-N 0 3 310.401 2.280 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001486351378 1085211932 /nfs/dbraw/zinc/21/19/32/1085211932.db2.gz SKRHKSVYZHJQHE-DAYGRLMNSA-N 0 3 310.482 2.386 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001486351379 1085212678 /nfs/dbraw/zinc/21/26/78/1085212678.db2.gz SKRHKSVYZHJQHE-MPGHIAIKSA-N 0 3 310.482 2.386 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)c1ccccc1C ZINC001486350917 1085212773 /nfs/dbraw/zinc/21/27/73/1085212773.db2.gz MURSTFRZFXWYFN-IAGOWNOFSA-N 0 3 318.461 2.426 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cncc2ccccc21 ZINC000960353648 1085216174 /nfs/dbraw/zinc/21/61/74/1085216174.db2.gz LPWDQKPIVBRECM-DZFIZOCASA-N 0 3 307.397 2.010 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cnc2cccnn12)C(C)C ZINC001486376951 1085250392 /nfs/dbraw/zinc/25/03/92/1085250392.db2.gz NLLFIBJAJYINHL-UHFFFAOYSA-N 0 3 315.421 2.088 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)c1ccon1 ZINC000960448734 1085291600 /nfs/dbraw/zinc/29/16/00/1085291600.db2.gz DELXBVASUQQCOF-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN Cc1ncccc1CN1CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC1 ZINC001486435543 1085311463 /nfs/dbraw/zinc/31/14/63/1085311463.db2.gz FZFIFPALYXSJJY-UKRRQHHQSA-N 0 3 314.433 2.266 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001486438051 1085314229 /nfs/dbraw/zinc/31/42/29/1085314229.db2.gz UMYKQSVPBQLIQA-WBVHZDCISA-N 0 3 308.466 2.288 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](F)Cc2ccccc2)CC1 ZINC001486441284 1085324985 /nfs/dbraw/zinc/32/49/85/1085324985.db2.gz KIBYNMZYSKAMHK-CRAIPNDOSA-N 0 3 316.420 2.417 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)[C@H]3CC3(C)C)CC2)CC1 ZINC001486487993 1085374186 /nfs/dbraw/zinc/37/41/86/1085374186.db2.gz NMXANWOSVCJQSN-MRXNPFEDSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C(F)F ZINC000961000401 1085533394 /nfs/dbraw/zinc/53/33/94/1085533394.db2.gz FHOPOWLPSTVWIC-MYJAWHEDSA-N 0 3 313.373 2.317 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1scnc1C ZINC001128208680 1085557411 /nfs/dbraw/zinc/55/74/11/1085557411.db2.gz HLWUMMVUQUVEMQ-UHFFFAOYSA-N 0 3 301.843 2.436 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(CCc4ccns4)C[C@H]32)C1 ZINC000961733653 1085848371 /nfs/dbraw/zinc/84/83/71/1085848371.db2.gz OSVRJUUKOOPDCC-FICVDOATSA-N 0 3 317.458 2.088 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001276370421 1085853258 /nfs/dbraw/zinc/85/32/58/1085853258.db2.gz WXQXETLJODTFJN-CYBMUJFWSA-N 0 3 310.413 2.423 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3nc(C)cs3)C2)C1=O ZINC001272996424 1085855000 /nfs/dbraw/zinc/85/50/00/1085855000.db2.gz HFLOBCHXLHDNDJ-INIZCTEOSA-N 0 3 305.447 2.452 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cn(C)nc1C)CC2 ZINC001273024446 1086005013 /nfs/dbraw/zinc/00/50/13/1086005013.db2.gz TXLLNCZKKLXZEJ-MRXNPFEDSA-N 0 3 316.449 2.023 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(OC(C)C)cc1 ZINC000962693990 1086205121 /nfs/dbraw/zinc/20/51/21/1086205121.db2.gz WHACRKHJJHPBFX-DZFIZOCASA-N 0 3 314.429 2.249 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001033703021 1086351895 /nfs/dbraw/zinc/35/18/95/1086351895.db2.gz UEGHAFFMRHZZGK-SFHVURJKSA-N 0 3 313.445 2.312 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000963280524 1086381477 /nfs/dbraw/zinc/38/14/77/1086381477.db2.gz XRWOCBZNMGKIDO-CVEARBPZSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCC(C)C)C[C@@H]1n1ccnn1 ZINC001128816633 1086400746 /nfs/dbraw/zinc/40/07/46/1086400746.db2.gz OUZCCDJOPFMMSJ-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc(C)n(C)n1)C2 ZINC000963619716 1086515395 /nfs/dbraw/zinc/51/53/95/1086515395.db2.gz ZZLAKSDXDPPMKC-UHFFFAOYSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1=CCOCC1)C2 ZINC000963713902 1086543815 /nfs/dbraw/zinc/54/38/15/1086543815.db2.gz WFYLMDAAFADUAP-UHFFFAOYSA-N 0 3 310.825 2.103 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CN(C)CCC ZINC001062243656 1086812957 /nfs/dbraw/zinc/81/29/57/1086812957.db2.gz DJFFDJKTVOIULP-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(C)nc2OCC)CCC1 ZINC001273179204 1087194545 /nfs/dbraw/zinc/19/45/45/1087194545.db2.gz HFXZFUNRBVAUPQ-UHFFFAOYSA-N 0 3 315.417 2.054 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1(CNC(=O)CN(C)CCC)CCC1 ZINC001063851533 1087494255 /nfs/dbraw/zinc/49/42/55/1087494255.db2.gz ALBHFGFZXVLIQI-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001064105078 1087548754 /nfs/dbraw/zinc/54/87/54/1087548754.db2.gz XUTGAWSUUGNFLO-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CN(CC)CC)CCC1 ZINC001064110395 1087549855 /nfs/dbraw/zinc/54/98/55/1087549855.db2.gz WHCXABYUJQRPIG-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@@H](O)C1 ZINC001090338645 1087688615 /nfs/dbraw/zinc/68/86/15/1087688615.db2.gz KJXZDRMEHIALTE-HOTGVXAUSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CC(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079219908 1087778969 /nfs/dbraw/zinc/77/89/69/1087778969.db2.gz HBJXATFHDOZCGS-JKSUJKDBSA-N 0 3 306.450 2.158 20 30 DEEDHN CC#CCCCC(=O)N(C)CCNCc1ccc(C)nc1C ZINC001493662991 1087787666 /nfs/dbraw/zinc/78/76/66/1087787666.db2.gz HHUHMWXLMINXRW-UHFFFAOYSA-N 0 3 301.434 2.440 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCc3csc(C)n3)C[C@H]21 ZINC001114683667 1088079320 /nfs/dbraw/zinc/07/93/20/1088079320.db2.gz SWDHYODROKSVLG-FICVDOATSA-N 0 3 319.474 2.253 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114710914 1088198778 /nfs/dbraw/zinc/19/87/78/1088198778.db2.gz MRAAYEGCXNJIET-VQFNDLOPSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncnc3sccc32)C1 ZINC001079727724 1088363233 /nfs/dbraw/zinc/36/32/33/1088363233.db2.gz DGPZZLKWIMCLHL-DGCLKSJQSA-N 0 3 316.430 2.318 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001079955900 1088516452 /nfs/dbraw/zinc/51/64/52/1088516452.db2.gz XAXVCRHOZQBZBL-ZWNOBZJWSA-N 0 3 310.348 2.040 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001080222476 1088713713 /nfs/dbraw/zinc/71/37/13/1088713713.db2.gz QJACTXXXROQVDN-BXKDBHETSA-N 0 3 314.216 2.395 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001080319727 1088814777 /nfs/dbraw/zinc/81/47/77/1088814777.db2.gz UVAQVEVOXXPAPS-IUODEOHRSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC000958317366 1088919385 /nfs/dbraw/zinc/91/93/85/1088919385.db2.gz WMVXJHSBPZPKTB-HOCLYGCPSA-N 0 3 320.408 2.041 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@H](O)C1 ZINC000958368901 1088943521 /nfs/dbraw/zinc/94/35/21/1088943521.db2.gz DTXPWBOZNJOQNV-CZUORRHYSA-N 0 3 322.836 2.247 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC000958567122 1089062943 /nfs/dbraw/zinc/06/29/43/1089062943.db2.gz LTXXCPLLRDVFOJ-DLBZAZTESA-N 0 3 302.418 2.019 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C3CC3)s2)C1 ZINC000958587851 1089074540 /nfs/dbraw/zinc/07/45/40/1089074540.db2.gz MODDOFBYDNIPBV-KGLIPLIRSA-N 0 3 320.458 2.224 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001080631558 1089111676 /nfs/dbraw/zinc/11/16/76/1089111676.db2.gz XXRSRBKDPFLIME-LALPHHSUSA-N 0 3 304.438 2.143 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001080682860 1089137777 /nfs/dbraw/zinc/13/77/77/1089137777.db2.gz BQZRHGGUNQWDBA-BXUZGUMPSA-N 0 3 316.430 2.374 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001080766535 1089179181 /nfs/dbraw/zinc/17/91/81/1089179181.db2.gz WQIGLVPTCLJBJR-CZUORRHYSA-N 0 3 304.438 2.399 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1n[nH]c2ccccc21 ZINC001276359540 1089241177 /nfs/dbraw/zinc/24/11/77/1089241177.db2.gz IJWUBVRDHXHWOC-UHFFFAOYSA-N 0 3 306.797 2.367 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC001080930954 1089246824 /nfs/dbraw/zinc/24/68/24/1089246824.db2.gz XKGPYHBFWKNVIS-CXAGYDPISA-N 0 3 315.417 2.271 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1c1ccccc1 ZINC001081102255 1089352269 /nfs/dbraw/zinc/35/22/69/1089352269.db2.gz DMSPHKRLRDGJRI-ZWJWXYIHSA-N 0 3 308.425 2.250 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1c1ccccc1 ZINC001081226443 1089367162 /nfs/dbraw/zinc/36/71/62/1089367162.db2.gz CJAYGSVMNQTEDR-ZWKOTPCHSA-N 0 3 307.397 2.154 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC001081195840 1089368563 /nfs/dbraw/zinc/36/85/63/1089368563.db2.gz XCDIWWZNIADWHH-ZSYWTGECSA-N 0 3 308.425 2.250 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)s2)[C@H](OC)C1 ZINC001081291973 1089392582 /nfs/dbraw/zinc/39/25/82/1089392582.db2.gz BFPAUVSCPSQFRF-ZIAGYGMSSA-N 0 3 308.447 2.452 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@H](OC)C1 ZINC001081818026 1089486601 /nfs/dbraw/zinc/48/66/01/1089486601.db2.gz DWXLGCVYXKVEDE-HZPDHXFCSA-N 0 3 324.371 2.278 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccncc2Cl)[C@H](OC)C1 ZINC001082167113 1089742642 /nfs/dbraw/zinc/74/26/42/1089742642.db2.gz AAYZEFSUJFSBRL-HUUCEWRRSA-N 0 3 323.824 2.130 20 30 DEEDHN Cc1cccnc1CNC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC000959927109 1089851928 /nfs/dbraw/zinc/85/19/28/1089851928.db2.gz ZNQDXNFHYQIVCH-GJZGRUSLSA-N 0 3 300.406 2.020 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@H](OC)C1 ZINC001082340278 1089865277 /nfs/dbraw/zinc/86/52/77/1089865277.db2.gz DRLBSSZRYOPSDC-IAGOWNOFSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@H](OC)C1 ZINC001082363282 1089882904 /nfs/dbraw/zinc/88/29/04/1089882904.db2.gz VYGVGEWSXLAHHB-IAGOWNOFSA-N 0 3 319.449 2.037 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CCCC3CCCC3)C[C@@H]21 ZINC001083026636 1090143642 /nfs/dbraw/zinc/14/36/42/1090143642.db2.gz HZVWLMJHOGWSJD-BHYGNILZSA-N 0 3 319.449 2.028 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)C3CCC3)[C@H]2C1 ZINC001083118905 1090154525 /nfs/dbraw/zinc/15/45/25/1090154525.db2.gz VIPLCSMUHQFLOT-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCCC34CC4)[C@H]2C1 ZINC001083120533 1090157198 /nfs/dbraw/zinc/15/71/98/1090157198.db2.gz RNRHIBCQNKYLPP-HRCADAONSA-N 0 3 304.434 2.054 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C3CCC4(CC4)CC3)[C@H]2C1 ZINC001083146069 1090165251 /nfs/dbraw/zinc/16/52/51/1090165251.db2.gz PSURGTAIDVYHFO-DLBZAZTESA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](O)C1 ZINC001084000134 1090192064 /nfs/dbraw/zinc/19/20/64/1090192064.db2.gz NDVWHAAMNSABMH-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)Cc2sc(C)cc2C)[C@@H](O)C1 ZINC001084006657 1090192340 /nfs/dbraw/zinc/19/23/40/1090192340.db2.gz MYDWZFAAZLJFKN-CABCVRRESA-N 0 3 322.474 2.035 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)n(C(C)C)c2C)[C@@H](O)C1 ZINC001084041906 1090193814 /nfs/dbraw/zinc/19/38/14/1090193814.db2.gz ONDROHULYLHNEG-SJORKVTESA-N 0 3 319.449 2.037 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc4ncn(C)c43)[C@@H]2C1 ZINC001084464468 1090297305 /nfs/dbraw/zinc/29/73/05/1090297305.db2.gz FMTJIRGPXXMEAU-RHSMWYFYSA-N 0 3 324.428 2.296 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3cnn(C)c3)[C@@H]2C1 ZINC001084542777 1090322314 /nfs/dbraw/zinc/32/23/14/1090322314.db2.gz DMTIGNQKLWUWOZ-BFYDXBDKSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3CC(OCC)C3)[C@@H]2C1 ZINC001084600102 1090343293 /nfs/dbraw/zinc/34/32/93/1090343293.db2.gz JSKVVJROLXAAHM-MNAZLIDISA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3occc3CN(C)C)[C@@H]2C1 ZINC001084614172 1090351196 /nfs/dbraw/zinc/35/11/96/1090351196.db2.gz IFWVZGODHODKJW-GDBMZVCRSA-N 0 3 317.433 2.064 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@H]2CCN(CCC)C[C@H]21 ZINC001084764904 1090435237 /nfs/dbraw/zinc/43/52/37/1090435237.db2.gz CDDURYWKYIJJNQ-HUUCEWRRSA-N 0 3 315.417 2.203 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099830731 1090449131 /nfs/dbraw/zinc/44/91/31/1090449131.db2.gz XDKZDEKCWXPLTA-SJORKVTESA-N 0 3 318.461 2.088 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3csc(C)n3)[C@@H]2C1 ZINC001084817788 1090458408 /nfs/dbraw/zinc/45/84/08/1090458408.db2.gz URMMDHDLUZZQHE-UKRRQHHQSA-N 0 3 305.447 2.103 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001099849484 1090526980 /nfs/dbraw/zinc/52/69/80/1090526980.db2.gz GCGNSDKKUZKSAR-KBPBESRZSA-N 0 3 314.857 2.283 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@@H]21 ZINC001084993146 1090574416 /nfs/dbraw/zinc/57/44/16/1090574416.db2.gz OHBPDGMLSCANDM-OWSLCNJRSA-N 0 3 300.446 2.369 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)s1 ZINC001410430631 1090648523 /nfs/dbraw/zinc/64/85/23/1090648523.db2.gz GXNJWGRWMOCBGQ-RISCZKNCSA-N 0 3 303.431 2.356 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2cc(C)cc(Cl)c2)CCO1 ZINC001273292386 1090719009 /nfs/dbraw/zinc/71/90/09/1090719009.db2.gz SYQZWQKHKREWHD-MRXNPFEDSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001273375753 1091110444 /nfs/dbraw/zinc/11/04/44/1091110444.db2.gz SOPDKVFQZYQRAP-LKUPDRCFSA-N 0 3 319.493 2.383 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc3[nH]cnc32)C1=O ZINC001273380753 1091117321 /nfs/dbraw/zinc/11/73/21/1091117321.db2.gz NYSAWKZHZDXFEG-SFHVURJKSA-N 0 3 310.401 2.316 20 30 DEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccn2ccnc12 ZINC001273393934 1091149890 /nfs/dbraw/zinc/14/98/90/1091149890.db2.gz BSKITLPGAYPQJA-IBGZPJMESA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cccn3ccnc13)CC2 ZINC001273394823 1091152745 /nfs/dbraw/zinc/15/27/45/1091152745.db2.gz SGXKHRITNTYLLI-MRXNPFEDSA-N 0 3 324.428 2.239 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC001273399842 1091192605 /nfs/dbraw/zinc/19/26/05/1091192605.db2.gz ORHMKYLXBWJWNC-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC001273399841 1091192928 /nfs/dbraw/zinc/19/29/28/1091192928.db2.gz ORHMKYLXBWJWNC-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccccc3CC#N)CC2)C1=O ZINC001274347319 1091203620 /nfs/dbraw/zinc/20/36/20/1091203620.db2.gz PGHPRRDSZAJABQ-UHFFFAOYSA-N 0 3 321.424 2.200 20 30 DEEDHN CC#CCNCC=CCNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001274378137 1091213717 /nfs/dbraw/zinc/21/37/17/1091213717.db2.gz KWAQWIISRFADLZ-SNAWJCMRSA-N 0 3 314.414 2.037 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1c[nH]nc1CC)CC2 ZINC001274381251 1091217634 /nfs/dbraw/zinc/21/76/34/1091217634.db2.gz MYEPJCHGLNFOHN-OAHLLOKOSA-N 0 3 316.449 2.267 20 30 DEEDHN C#CCCCCCC(=O)N1CCN(C2CN(CCCC)C2)CC1 ZINC001274474355 1091260759 /nfs/dbraw/zinc/26/07/59/1091260759.db2.gz KLAZNRPVFNXJFY-UHFFFAOYSA-N 0 3 319.493 2.199 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C[C@H](C)c1ccccc1OC ZINC001274510011 1091277553 /nfs/dbraw/zinc/27/75/53/1091277553.db2.gz LYNZILGNECKKAP-LZNQSLFOSA-N 0 3 300.402 2.084 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)COc1ccccc1Cl ZINC001274567419 1091302648 /nfs/dbraw/zinc/30/26/48/1091302648.db2.gz KIKPYXABLIMIQX-VOTSOKGWSA-N 0 3 306.793 2.004 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cc(F)ccn3)C2)C1=O ZINC001274585199 1091311652 /nfs/dbraw/zinc/31/16/52/1091311652.db2.gz LPIYMIFTPBMDAY-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001274613165 1091324554 /nfs/dbraw/zinc/32/45/54/1091324554.db2.gz RLDOJRBLRYJMOL-RHSMWYFYSA-N 0 3 320.408 2.497 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1(C(F)F)CC1 ZINC001274753670 1091396683 /nfs/dbraw/zinc/39/66/83/1091396683.db2.gz XVVUMTDCFLDXDS-GFCCVEGCSA-N 0 3 324.346 2.317 20 30 DEEDHN C=C(C)CN1CC2(CCC1=O)CCN(c1cncn1C)CC2 ZINC001274759100 1091400077 /nfs/dbraw/zinc/40/00/77/1091400077.db2.gz PYMSFAMXKLNDLB-UHFFFAOYSA-N 0 3 302.422 2.205 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cnc(C)cc3C)CC2)C1=O ZINC001274830328 1091438852 /nfs/dbraw/zinc/43/88/52/1091438852.db2.gz USVSRQWHAJTWCE-UHFFFAOYSA-N 0 3 311.429 2.146 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001274848416 1091444328 /nfs/dbraw/zinc/44/43/28/1091444328.db2.gz VHMKXDHDEUIKMY-SFHVURJKSA-N 0 3 314.429 2.315 20 30 DEEDHN CC#CCN1CCN(CCCCCNC(=O)/C(C)=C\CC)CC1 ZINC001274872915 1091454846 /nfs/dbraw/zinc/45/48/46/1091454846.db2.gz ZWJGJYNFAHUUCQ-ZDLGFXPLSA-N 0 3 319.493 2.270 20 30 DEEDHN CC[C@@H](C(=O)N[C@H](C)CNCC#CCOC)c1ccc(F)cc1 ZINC001275037849 1091526992 /nfs/dbraw/zinc/52/69/92/1091526992.db2.gz DHPFWVKGGMJDAT-RHSMWYFYSA-N 0 3 320.408 2.063 20 30 DEEDHN C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1[O-] ZINC001275058703 1091535406 /nfs/dbraw/zinc/53/54/06/1091535406.db2.gz ARXZDRIRHIBPHF-IEBWSBKVSA-N 0 3 320.392 2.401 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1oc(C)nc1C ZINC001275101346 1091555301 /nfs/dbraw/zinc/55/53/01/1091555301.db2.gz YWWVXUKCOVQSBR-HNNXBMFYSA-N 0 3 321.421 2.030 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1oc(C)nc1C ZINC001275101347 1091555583 /nfs/dbraw/zinc/55/55/83/1091555583.db2.gz YWWVXUKCOVQSBR-OAHLLOKOSA-N 0 3 321.421 2.030 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](OC)C(F)(F)F ZINC001275160526 1091590283 /nfs/dbraw/zinc/59/02/83/1091590283.db2.gz NPBYRQKSICWDMB-NWDGAFQWSA-N 0 3 308.344 2.063 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1ccnc(OC)c1 ZINC001275258456 1091641586 /nfs/dbraw/zinc/64/15/86/1091641586.db2.gz KBNJAVNPRQUNBO-ZDUSSCGKSA-N 0 3 305.422 2.287 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cc(CO)ccc1F ZINC001275364694 1091690488 /nfs/dbraw/zinc/69/04/88/1091690488.db2.gz FTTWGOAIFTXVED-QWHCGFSZSA-N 0 3 308.397 2.267 20 30 DEEDHN Cc1ocnc1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001275365385 1091691998 /nfs/dbraw/zinc/69/19/98/1091691998.db2.gz JDKQWTMSVAXZQK-KGLIPLIRSA-N 0 3 311.385 2.131 20 30 DEEDHN C=CCn1cc(CN2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)cn1 ZINC001275381358 1091702159 /nfs/dbraw/zinc/70/21/59/1091702159.db2.gz TWGGVCJBXWVWRQ-FUHWJXTLSA-N 0 3 311.433 2.104 20 30 DEEDHN C=CCn1cc(CN2CC3(C2)CCN(Cc2ccc[nH]2)C3)cn1 ZINC001275381089 1091702486 /nfs/dbraw/zinc/70/24/86/1091702486.db2.gz GMFYQADTVJRLIC-UHFFFAOYSA-N 0 3 311.433 2.105 20 30 DEEDHN COc1ccc(F)cc1CN[C@H](C)[C@H](C)NC(=O)C#CC1CC1 ZINC001275394689 1091712108 /nfs/dbraw/zinc/71/21/08/1091712108.db2.gz PPGBTUPSRYTAGY-OLZOCXBDSA-N 0 3 318.392 2.231 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C(N)=O)cc1 ZINC001275566129 1091868310 /nfs/dbraw/zinc/86/83/10/1091868310.db2.gz MHVKLDBUKRHDFP-AWEZNQCLSA-N 0 3 317.433 2.078 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001273476250 1091870149 /nfs/dbraw/zinc/87/01/49/1091870149.db2.gz HRHIEHDBZPGWJX-CQSZACIVSA-N 0 3 304.438 2.238 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2cncc(F)c2)C1 ZINC001185020656 1091884542 /nfs/dbraw/zinc/88/45/42/1091884542.db2.gz ZVHKMIBZOICUKU-MRXNPFEDSA-N 0 3 303.381 2.105 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000948722189 1091901741 /nfs/dbraw/zinc/90/17/41/1091901741.db2.gz IOANBTUNHFMNMK-WMZOPIPTSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000948722186 1091901834 /nfs/dbraw/zinc/90/18/34/1091901834.db2.gz IOANBTUNHFMNMK-AEFFLSMTSA-N 0 3 314.404 2.412 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 ZINC000949024644 1092033657 /nfs/dbraw/zinc/03/36/57/1092033657.db2.gz LEUJHQNTHHFJLS-MRXNPFEDSA-N 0 3 304.434 2.222 20 30 DEEDHN C=CCCCC(=O)N1CCC(CC)(NCc2ncnn2C)CC1 ZINC001273782267 1092046368 /nfs/dbraw/zinc/04/63/68/1092046368.db2.gz COCXWVYVPVFXFR-UHFFFAOYSA-N 0 3 319.453 2.032 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)C1CC1)CCO2 ZINC000949164170 1092060240 /nfs/dbraw/zinc/06/02/40/1092060240.db2.gz DPZZFNKGEUTABJ-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)c1ccco1)CCO2 ZINC000949189497 1092066525 /nfs/dbraw/zinc/06/65/25/1092066525.db2.gz XHBSLTXAMPMPPS-OAHLLOKOSA-N 0 3 318.417 2.263 20 30 DEEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cc1C#N ZINC001275854718 1092231678 /nfs/dbraw/zinc/23/16/78/1092231678.db2.gz FFULOXOYTZSCOR-ROUUACIJSA-N 0 3 309.417 2.074 20 30 DEEDHN C#CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1 ZINC001275975629 1092414511 /nfs/dbraw/zinc/41/45/11/1092414511.db2.gz WLMSFSMFSKDUBC-IYBDPMFKSA-N 0 3 302.443 2.379 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C2CCCCCCC2)C1 ZINC001273893842 1092486239 /nfs/dbraw/zinc/48/62/39/1092486239.db2.gz JOOQANUUEIIPKQ-IBGZPJMESA-N 0 3 320.477 2.313 20 30 DEEDHN C=C(C)CN1C(=O)C[C@@]2(CCCN(CC(=O)C(C)(C)C)C2)C1=O ZINC001273948299 1092531332 /nfs/dbraw/zinc/53/13/32/1092531332.db2.gz OZWQAFUYVGNMNM-GOSISDBHSA-N 0 3 320.433 2.019 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001488674553 1092677570 /nfs/dbraw/zinc/67/75/70/1092677570.db2.gz HSHWLSBRABDTRK-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1ccccc1OC ZINC001488688713 1092687570 /nfs/dbraw/zinc/68/75/70/1092687570.db2.gz JUXQCGMEZVBUPS-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1ccccc1OC ZINC001488688715 1092688340 /nfs/dbraw/zinc/68/83/40/1092688340.db2.gz JUXQCGMEZVBUPS-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001488690967 1092689495 /nfs/dbraw/zinc/68/94/95/1092689495.db2.gz CIWIUHNYWAIALL-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001488702742 1092721503 /nfs/dbraw/zinc/72/15/03/1092721503.db2.gz YLPZGGZZACBMEC-HOCLYGCPSA-N 0 3 304.438 2.023 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001488961173 1092829300 /nfs/dbraw/zinc/82/93/00/1092829300.db2.gz NAJQHQVCSQXJEO-SOUVJXGZSA-N 0 3 324.856 2.461 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNCc1nccn1C ZINC001488988262 1092867020 /nfs/dbraw/zinc/86/70/20/1092867020.db2.gz OUPXPAGJCSJPNY-CVEARBPZSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)COCC3CC3)C(C)(C)[C@H]21 ZINC001489080418 1092904047 /nfs/dbraw/zinc/90/40/47/1092904047.db2.gz FAPSGVUJSBRZFA-NXHRZFHOSA-N 0 3 318.461 2.042 20 30 DEEDHN C=CCC1(C(=O)NCc2nc(C[NH2+]CCC)cc(=O)[n-]2)CCC1 ZINC001489079277 1092905394 /nfs/dbraw/zinc/90/53/94/1092905394.db2.gz OPVIBUHWKVKCNB-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001489697696 1093078179 /nfs/dbraw/zinc/07/81/79/1093078179.db2.gz PENWYEHHMXQSAO-RBSFLKMASA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@H](OC)C1CCCC1)C1CC1 ZINC001490391789 1093342690 /nfs/dbraw/zinc/34/26/90/1093342690.db2.gz WTRPVQPGUHCIBZ-QGZVFWFLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H](OC)C1CCCCC1)C1CC1 ZINC001490395614 1093344785 /nfs/dbraw/zinc/34/47/85/1093344785.db2.gz ISBAZMSSCRFZAW-KRWDZBQOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCn1cc(C(=O)N[C@H]2CCCN(CC/C=C\CC)C2)nn1 ZINC001490450389 1093365237 /nfs/dbraw/zinc/36/52/37/1093365237.db2.gz FGTSVZQDJRVSLO-YVACAVLKSA-N 0 3 317.437 2.015 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC001490537786 1093401924 /nfs/dbraw/zinc/40/19/24/1093401924.db2.gz NCWYCAROGITFRQ-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)CCC2(C)CC2)CC1 ZINC001490606540 1093444125 /nfs/dbraw/zinc/44/41/25/1093444125.db2.gz UMRFAWRWZBFKAJ-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](CN(C)C[C@H](F)CC)C1 ZINC001490751258 1093505630 /nfs/dbraw/zinc/50/56/30/1093505630.db2.gz FHGZKTMVUUNIKH-LSDHHAIUSA-N 0 3 300.418 2.108 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](CN(C)C[C@H](F)CC)C1 ZINC001490751257 1093506441 /nfs/dbraw/zinc/50/64/41/1093506441.db2.gz FHGZKTMVUUNIKH-HUUCEWRRSA-N 0 3 300.418 2.108 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3nc4ccc(C)cc4[nH]3)C2)C1=O ZINC001273973484 1093638162 /nfs/dbraw/zinc/63/81/62/1093638162.db2.gz ZZWXVKUQJSZMSB-LJQANCHMSA-N 0 3 324.428 2.482 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001274048713 1093783216 /nfs/dbraw/zinc/78/32/16/1093783216.db2.gz ORGJDPFBKDGZRT-FPLPWBNLSA-N 0 3 300.402 2.211 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cccnc3OCC)C2)C1=O ZINC001274196723 1093845622 /nfs/dbraw/zinc/84/56/22/1093845622.db2.gz AYWSVSRKOZPSPB-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](C)[C@@H](NCCF)C2)cc1 ZINC001274200338 1093847478 /nfs/dbraw/zinc/84/74/78/1093847478.db2.gz YPZMTEOYVLBTCT-PBHICJAKSA-N 0 3 318.392 2.108 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2ccnc(C#N)c2)C[C@H]1c1ccccc1 ZINC001237463023 1138640870 /nfs/dbraw/zinc/64/08/70/1138640870.db2.gz MMPRTSSJHUCTLN-ROUUACIJSA-N 0 3 321.380 2.342 20 30 DEEDHN C#CCN(C(=O)C(C)=C1CCC1)C1CCN(CCOCC)CC1 ZINC001278151382 1138801531 /nfs/dbraw/zinc/80/15/31/1138801531.db2.gz OXZSSSPUEDPDJG-UHFFFAOYSA-N 0 3 318.461 2.450 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)NC[C@H]1CNCCO1 ZINC001238077135 1138820253 /nfs/dbraw/zinc/82/02/53/1138820253.db2.gz WNADYJWIZOBIED-OAHLLOKOSA-N 0 3 320.499 2.035 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)[N-][C@@]1(C#N)CC[NH2+]C1 ZINC001238395843 1138843425 /nfs/dbraw/zinc/84/34/25/1138843425.db2.gz LCINJXJCGRXDTM-OAHLLOKOSA-N 0 3 315.483 2.302 20 30 DEEDHN CCc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)ccc1C#N ZINC001238776152 1138874251 /nfs/dbraw/zinc/87/42/51/1138874251.db2.gz TYZJPMFMQYDWLG-PIIMJCKOSA-N 0 3 311.429 2.323 20 30 DEEDHN CCCCCCCCCNC(=S)N[C@@H]1CCOC12CNC2 ZINC001239363373 1139029178 /nfs/dbraw/zinc/02/91/78/1139029178.db2.gz MRTGRSUKDKSSPV-CQSZACIVSA-N 0 3 313.511 2.332 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ncoc1-c1ccccc1 ZINC001316827127 1139107554 /nfs/dbraw/zinc/10/75/54/1139107554.db2.gz MLJRDIQYYJEASH-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C=C(CO)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001335212337 1139206122 /nfs/dbraw/zinc/20/61/22/1139206122.db2.gz POIKILWIWPGFMY-UHFFFAOYSA-N 0 3 302.296 2.254 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001296107634 1139710600 /nfs/dbraw/zinc/71/06/00/1139710600.db2.gz APQTXAWRACIQQO-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001296223462 1139726255 /nfs/dbraw/zinc/72/62/55/1139726255.db2.gz SLBMRXNIBPZTNV-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC(C)C)C1 ZINC001278337379 1139858172 /nfs/dbraw/zinc/85/81/72/1139858172.db2.gz VHVXRCHGEFHEIV-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001297326528 1139860748 /nfs/dbraw/zinc/86/07/48/1139860748.db2.gz SMPVDDHCKKVYDK-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(-n2cccn2)cc1 ZINC001297380360 1139864827 /nfs/dbraw/zinc/86/48/27/1139864827.db2.gz XACHBFNYUBURAD-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001491767434 1140302494 /nfs/dbraw/zinc/30/24/94/1140302494.db2.gz CMDPDIKEBPTENH-AEFFLSMTSA-N 0 3 314.429 2.021 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001491772378 1140304327 /nfs/dbraw/zinc/30/43/27/1140304327.db2.gz AHNWVLFHJPLHHE-ZBFHGGJFSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2csc(C)n2)C1 ZINC001491797455 1140314042 /nfs/dbraw/zinc/31/40/42/1140314042.db2.gz GRSUWLPREWEQJK-CQSZACIVSA-N 0 3 305.447 2.193 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001318437012 1140328298 /nfs/dbraw/zinc/32/82/98/1140328298.db2.gz LWJRNJQZKRBOMR-INIZCTEOSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ncccc2OC)C1 ZINC001318482258 1140345762 /nfs/dbraw/zinc/34/57/62/1140345762.db2.gz GEAWJFYDZJTILC-HNNXBMFYSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)N[C@@H](C)C(=O)NC1CCCC1 ZINC001318553754 1140364800 /nfs/dbraw/zinc/36/48/00/1140364800.db2.gz CLWUEYPUTPKBLO-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)NCc1cccnc1 ZINC001318582323 1140367487 /nfs/dbraw/zinc/36/74/87/1140367487.db2.gz HESSQDXKCBNUSA-ULQDDVLXSA-N 0 3 317.433 2.047 20 30 DEEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)C#CC1CC1)C1CC1 ZINC001318685925 1140385974 /nfs/dbraw/zinc/38/59/74/1140385974.db2.gz KJOXEAGWBLWTQE-OAQYLSRUSA-N 0 3 320.436 2.326 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001318966601 1140481904 /nfs/dbraw/zinc/48/19/04/1140481904.db2.gz VGYCIOUPAVFXPM-UBHSHLNASA-N 0 3 319.453 2.403 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)CN[C@@H](C)c2nnc(C)[nH]2)CCC1 ZINC001319238025 1140532533 /nfs/dbraw/zinc/53/25/33/1140532533.db2.gz NCMXDEBHMJYWQK-OLZOCXBDSA-N 0 3 319.453 2.262 20 30 DEEDHN Cc1cccc(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)n1 ZINC001319426411 1140569166 /nfs/dbraw/zinc/56/91/66/1140569166.db2.gz XQMZEWQUNKWRFP-QGZVFWFLSA-N 0 3 321.424 2.492 20 30 DEEDHN Cc1cccnc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319438967 1140576435 /nfs/dbraw/zinc/57/64/35/1140576435.db2.gz IBMYBUGFIOGBEJ-QGZVFWFLSA-N 0 3 321.424 2.492 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)/C(C)=C\C ZINC001319439946 1140576453 /nfs/dbraw/zinc/57/64/53/1140576453.db2.gz QNVSISUBIJKWLC-BRAFPAACSA-N 0 3 323.481 2.202 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1cn(C)nc1C ZINC001319514263 1140606758 /nfs/dbraw/zinc/60/67/58/1140606758.db2.gz JULPCAJJKHWBJO-DZGCQCFKSA-N 0 3 306.454 2.267 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cc[n+]([O-])cc1 ZINC001319725594 1140690805 /nfs/dbraw/zinc/69/08/05/1140690805.db2.gz YUNKIGANLKQOET-OAHLLOKOSA-N 0 3 323.824 2.047 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001320027592 1140813099 /nfs/dbraw/zinc/81/30/99/1140813099.db2.gz STGVECJSNFAESP-UHFFFAOYSA-N 0 3 319.434 2.113 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)COc2cccc(Cl)c2)C1 ZINC001278417094 1140819271 /nfs/dbraw/zinc/81/92/71/1140819271.db2.gz SKLJYCYIPHZRFI-HIFRSBDPSA-N 0 3 320.820 2.321 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cn(C)nc1C(C)C ZINC001320634486 1140888156 /nfs/dbraw/zinc/88/81/56/1140888156.db2.gz RNCWNNJGBPGFLZ-LBPRGKRZSA-N 0 3 312.845 2.394 20 30 DEEDHN C#CCNCCN(CC)C(=O)Cc1ccccc1OC(C)C ZINC001320865518 1140961218 /nfs/dbraw/zinc/96/12/18/1140961218.db2.gz XDJJKLOMFBHWPQ-UHFFFAOYSA-N 0 3 302.418 2.088 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1ccc(C(F)F)cc1 ZINC001320872106 1140964776 /nfs/dbraw/zinc/96/47/76/1140964776.db2.gz QPJQWVPZYBKSER-UHFFFAOYSA-N 0 3 324.371 2.326 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC(F)(F)C(F)F)CCC[C@@H]12 ZINC001278461524 1141033989 /nfs/dbraw/zinc/03/39/89/1141033989.db2.gz WWLYSZTWSZAJBV-ZWNOBZJWSA-N 0 3 306.303 2.023 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C/CN[C@@H](C)c1ccc(F)cc1 ZINC001321057024 1141042671 /nfs/dbraw/zinc/04/26/71/1141042671.db2.gz MHXOVVAIKBTHGZ-ICWYTKJFSA-N 0 3 318.392 2.187 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1cccc2cccnc21 ZINC001321178120 1141076971 /nfs/dbraw/zinc/07/69/71/1141076971.db2.gz NTGHHELQJWTDGT-SNAWJCMRSA-N 0 3 307.397 2.063 20 30 DEEDHN N#Cc1ccc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001247457537 1141361082 /nfs/dbraw/zinc/36/10/82/1141361082.db2.gz QYORKHVYUYAJGD-UHFFFAOYSA-N 0 3 317.352 2.240 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)C(C)(C)C(F)(F)F ZINC001322280856 1141502788 /nfs/dbraw/zinc/50/27/88/1141502788.db2.gz KQPHPIYPEAWKLF-NSHDSACASA-N 0 3 310.360 2.214 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)Cc1cccnc1 ZINC001322472952 1141601902 /nfs/dbraw/zinc/60/19/02/1141601902.db2.gz ZUNRFYJXOXTKAW-UHFFFAOYSA-N 0 3 322.412 2.134 20 30 DEEDHN C=CC[C@H](N)c1nc(-c2ccccc2N2CCN(C)CC2)no1 ZINC001247962967 1141648966 /nfs/dbraw/zinc/64/89/66/1141648966.db2.gz GVCWNSOEOQACNH-AWEZNQCLSA-N 0 3 313.405 2.064 20 30 DEEDHN Cn1ccc(C(=O)N[C@@H](CNCC#Cc2ccccc2)C2CC2)c1 ZINC001322987003 1141790932 /nfs/dbraw/zinc/79/09/32/1141790932.db2.gz PXXJIVCTKRMJGY-IBGZPJMESA-N 0 3 321.424 2.175 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2cnc(C)nc2)C2CC2)C1 ZINC001323062468 1141807498 /nfs/dbraw/zinc/80/74/98/1141807498.db2.gz IGYVCCMAJABEII-INIZCTEOSA-N 0 3 314.433 2.126 20 30 DEEDHN CCc1cc(C#N)ccc1CN1CCN(CC(C)(C)O)CC1 ZINC001248752823 1141813119 /nfs/dbraw/zinc/81/31/19/1141813119.db2.gz CSIOKVAABPWYDI-UHFFFAOYSA-N 0 3 301.434 2.009 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2C[C@@H](OCC)C2CC2)C1 ZINC001323301027 1141839409 /nfs/dbraw/zinc/83/94/09/1141839409.db2.gz FAIYZPWVDSFZSM-JKSUJKDBSA-N 0 3 306.450 2.348 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccnc(-c3ccco3)c2)CC1 ZINC001323473223 1141856681 /nfs/dbraw/zinc/85/66/81/1141856681.db2.gz ZQYQSPQEODHOET-UHFFFAOYSA-N 0 3 309.369 2.217 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001323580690 1141866727 /nfs/dbraw/zinc/86/67/27/1141866727.db2.gz VBHLHPXHOWRAPH-QAQDUYKDSA-N 0 3 320.477 2.337 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001323681413 1141876609 /nfs/dbraw/zinc/87/66/09/1141876609.db2.gz PNLVUGKSYBKBJK-UAGQMJEPSA-N 0 3 306.450 2.300 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)CC2CCC2)CC1 ZINC001323747017 1141883262 /nfs/dbraw/zinc/88/32/62/1141883262.db2.gz VBNLULRRGJQPFF-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCC(=O)NC(C)C)[C@H]1C ZINC001278526340 1141996433 /nfs/dbraw/zinc/99/64/33/1141996433.db2.gz IJMRQOUEDHBBDD-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCOC[C@@H](O)CNC(c1cccs1)c1cccs1 ZINC001251907093 1142536804 /nfs/dbraw/zinc/53/68/04/1142536804.db2.gz VQCRUYIQHJBOEA-LBPRGKRZSA-N 0 3 307.440 2.499 20 30 DEEDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCN1C1CCCC1 ZINC001336713301 1142543554 /nfs/dbraw/zinc/54/35/54/1142543554.db2.gz UTXZXJHMXOUVLM-GFCCVEGCSA-N 0 3 315.377 2.315 20 30 DEEDHN C=CCOC[C@H](O)CNCc1ccccc1OC(F)(F)F ZINC001252451925 1142717197 /nfs/dbraw/zinc/71/71/97/1142717197.db2.gz ZWDKCHFSSAKUIN-GFCCVEGCSA-N 0 3 305.296 2.238 20 30 DEEDHN C=CCC[C@@H](O)CN1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001252594336 1142774832 /nfs/dbraw/zinc/77/48/32/1142774832.db2.gz WJCTUEARESWMEN-CQSZACIVSA-N 0 3 310.438 2.256 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001252595888 1142776138 /nfs/dbraw/zinc/77/61/38/1142776138.db2.gz LFYUSZLBZQGBDH-UBDQQSCGSA-N 0 3 318.417 2.019 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001252596213 1142776653 /nfs/dbraw/zinc/77/66/53/1142776653.db2.gz OQLKPMRRCDPOGR-CBZIJGRNSA-N 0 3 318.417 2.019 20 30 DEEDHN COc1ccccc1OC[C@H](O)CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001252889470 1142827615 /nfs/dbraw/zinc/82/76/15/1142827615.db2.gz XOZRKFPPASLBMA-LVQVYYBASA-N 0 3 316.401 2.201 20 30 DEEDHN COc1ccccc1OC[C@H](O)CNCc1ccc(C#N)s1 ZINC001252909196 1142829089 /nfs/dbraw/zinc/82/90/89/1142829089.db2.gz FBHLZODRQJFIRT-GFCCVEGCSA-N 0 3 318.398 2.158 20 30 DEEDHN C#CCN(C)C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253421185 1142870821 /nfs/dbraw/zinc/87/08/21/1142870821.db2.gz AFGDHOSYWCIZQG-INIZCTEOSA-N 0 3 303.402 2.067 20 30 DEEDHN COc1cccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC001253955996 1143010250 /nfs/dbraw/zinc/01/02/50/1143010250.db2.gz MXJXDWKEDRRQDH-CABCVRRESA-N 0 3 304.390 2.061 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1CCN(CC(C)C)CC1 ZINC001339598513 1143061353 /nfs/dbraw/zinc/06/13/53/1143061353.db2.gz VFWLNJKGWNEADY-UHFFFAOYSA-N 0 3 313.396 2.050 20 30 DEEDHN N=C(N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cn1 ZINC001254576766 1143261294 /nfs/dbraw/zinc/26/12/94/1143261294.db2.gz YXMPCTRPNURDKB-LBPRGKRZSA-N 0 3 300.293 2.002 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)C(=O)N[O-] ZINC001254624104 1143286805 /nfs/dbraw/zinc/28/68/05/1143286805.db2.gz XCXHYRWHGGDVFE-LRDDRELGSA-N 0 3 323.412 2.304 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001278800352 1143289137 /nfs/dbraw/zinc/28/91/37/1143289137.db2.gz MPXJEYZRRVVTPS-KRWDZBQOSA-N 0 3 324.371 2.016 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@H]2CC[C@@H](C#N)C2)[C@H]2OCC[C@H]21 ZINC001254636043 1143290611 /nfs/dbraw/zinc/29/06/11/1143290611.db2.gz HLLRVEWGQGPSKV-GZBLMMOJSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@](C)(O)CC ZINC001340400352 1143337927 /nfs/dbraw/zinc/33/79/27/1143337927.db2.gz WEESUKQIJUKYMX-KRWDZBQOSA-N 0 3 321.469 2.002 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001340429248 1143343788 /nfs/dbraw/zinc/34/37/88/1143343788.db2.gz BTMGINIAWVYUST-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC001340666104 1143393903 /nfs/dbraw/zinc/39/39/03/1143393903.db2.gz DSRYPAFYWKKQIL-GJZGRUSLSA-N 0 3 310.438 2.252 20 30 DEEDHN C=CCn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C1(OC)CC1 ZINC001340668339 1143394567 /nfs/dbraw/zinc/39/45/67/1143394567.db2.gz LCZLRAMTPWHHRT-KGLIPLIRSA-N 0 3 319.453 2.019 20 30 DEEDHN C=CC[C@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001341516831 1143619948 /nfs/dbraw/zinc/61/99/48/1143619948.db2.gz MOGAODXEUBOPGQ-LSDHHAIUSA-N 0 3 303.454 2.417 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001341582361 1143632789 /nfs/dbraw/zinc/63/27/89/1143632789.db2.gz VRNYWQBHLNIMCK-HUUCEWRRSA-N 0 3 301.390 2.260 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1OC ZINC001341601393 1143636098 /nfs/dbraw/zinc/63/60/98/1143636098.db2.gz PASIQKPHPMSDKL-KBPBESRZSA-N 0 3 306.406 2.262 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([S@@](C)(=O)=NC)c1 ZINC001341606392 1143637295 /nfs/dbraw/zinc/63/72/95/1143637295.db2.gz BRWLMUFQSAHVPH-LHSJRXKWSA-N 0 3 309.435 2.395 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](COC)c1cccc(OC)c1 ZINC001342202841 1143802947 /nfs/dbraw/zinc/80/29/47/1143802947.db2.gz KNFWFMUOOLMZHV-HZPDHXFCSA-N 0 3 306.406 2.183 20 30 DEEDHN CCn1c(CCCC#N)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001342846901 1143839549 /nfs/dbraw/zinc/83/95/49/1143839549.db2.gz MGBAIOKBUNSYEH-ZIAGYGMSSA-N 0 3 304.442 2.063 20 30 DEEDHN COCCC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001278929475 1143842324 /nfs/dbraw/zinc/84/23/24/1143842324.db2.gz FXGFRFBYDCFHTK-QGZVFWFLSA-N 0 3 316.445 2.195 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1noc2c1COCC2)C(C)C ZINC001278930034 1143842892 /nfs/dbraw/zinc/84/28/92/1143842892.db2.gz SHFHMYGZVOFYFK-UHFFFAOYSA-N 0 3 321.421 2.106 20 30 DEEDHN C=CCNC(=O)CNC[C@H](NC(=O)CC(C)=C(C)C)C(C)(C)C ZINC001278989690 1143885489 /nfs/dbraw/zinc/88/54/89/1143885489.db2.gz OAWBTKWAMLDBGO-HNNXBMFYSA-N 0 3 323.481 2.156 20 30 DEEDHN C=CCN([C@H](C)CCS(=O)(=O)CCC(=O)OC)C(C)(C)C ZINC001257941912 1143961066 /nfs/dbraw/zinc/96/10/66/1143961066.db2.gz FAKQTRKEWUPLFS-CYBMUJFWSA-N 0 3 319.467 2.029 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)N(C)C)C1=O ZINC001262199853 1144298673 /nfs/dbraw/zinc/29/86/73/1144298673.db2.gz BWXJYGYTTWTKQI-LSDHHAIUSA-N 0 3 301.390 2.094 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1OC ZINC001263089795 1144354654 /nfs/dbraw/zinc/35/46/54/1144354654.db2.gz SWJASIOTOMNJCE-NSHDSACASA-N 0 3 308.378 2.335 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cnn(CC2CCC2)c1 ZINC001263254498 1144363271 /nfs/dbraw/zinc/36/32/71/1144363271.db2.gz IMLIOUNPGJIAQK-CZUORRHYSA-N 0 3 317.437 2.272 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21)c1ccccc1 ZINC001263483173 1144377293 /nfs/dbraw/zinc/37/72/93/1144377293.db2.gz FQTLJJBXPUGSRP-BDLOOMQFSA-N 0 3 324.380 2.188 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cn(C)nc1-c1ccoc1 ZINC001263616922 1144383249 /nfs/dbraw/zinc/38/32/49/1144383249.db2.gz NSAMHHVYTHCVII-GFCCVEGCSA-N 0 3 309.329 2.387 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(CC)cn1 ZINC001263812241 1144398200 /nfs/dbraw/zinc/39/82/00/1144398200.db2.gz JUQNJAOHBVTEQU-KRWDZBQOSA-N 0 3 301.434 2.295 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1cccc(C)c1 ZINC001263820830 1144400468 /nfs/dbraw/zinc/40/04/68/1144400468.db2.gz HQOZIHVGCQCDCO-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](N[C@@H](C)c3n[nH]c(C)n3)C2)C1 ZINC001263843754 1144409110 /nfs/dbraw/zinc/40/91/10/1144409110.db2.gz JNGDRVORLBCSSO-FPMFFAJLSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC001264080799 1144460517 /nfs/dbraw/zinc/46/05/17/1144460517.db2.gz WJEFZGSACOMLRA-GOSISDBHSA-N 0 3 316.445 2.091 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cccc(Cl)c1C ZINC001264106287 1144467046 /nfs/dbraw/zinc/46/70/46/1144467046.db2.gz VXSLPAUHILSDJH-UHFFFAOYSA-N 0 3 322.836 2.302 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCc2cccs2)[C@H]1C ZINC001264172725 1144494644 /nfs/dbraw/zinc/49/46/44/1144494644.db2.gz OIYUZSVWKXDSDI-ZBFHGGJFSA-N 0 3 322.474 2.462 20 30 DEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(CC=C(C)C)[C@@H]1C ZINC001264722179 1144600783 /nfs/dbraw/zinc/60/07/83/1144600783.db2.gz GDPFWYCQXUDNFV-PVAVHDDUSA-N 0 3 321.465 2.003 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001264741890 1144603790 /nfs/dbraw/zinc/60/37/90/1144603790.db2.gz VROAHSZZFNRFKE-HNNXBMFYSA-N 0 3 323.412 2.283 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc(OCC)nc1)C1CC1 ZINC001265164808 1144658418 /nfs/dbraw/zinc/65/84/18/1144658418.db2.gz UYGJDOAVYAZWCE-UHFFFAOYSA-N 0 3 315.417 2.088 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)COc2ccccc2OC)CC1 ZINC001265199716 1144664893 /nfs/dbraw/zinc/66/48/93/1144664893.db2.gz AKMGIPZKSQRXSD-UHFFFAOYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2ccc(CC)cc2)C1 ZINC001265314710 1144690982 /nfs/dbraw/zinc/69/09/82/1144690982.db2.gz HEKMBPUROVXISE-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC001265438836 1144704095 /nfs/dbraw/zinc/70/40/95/1144704095.db2.gz KCRKPBVMQMKRCK-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC(F)(F)CC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001265493841 1144707055 /nfs/dbraw/zinc/70/70/55/1144707055.db2.gz FEXBLSYYDGASJX-SHTZXODSSA-N 0 3 324.346 2.459 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001265554754 1144711658 /nfs/dbraw/zinc/71/16/58/1144711658.db2.gz YDPNPVQJKLNBLP-UPJWGTAASA-N 0 3 323.462 2.491 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001265577084 1144713337 /nfs/dbraw/zinc/71/33/37/1144713337.db2.gz BNPCZYSMISJUTO-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](CNCc2nccn2C)C1 ZINC001265611716 1144717854 /nfs/dbraw/zinc/71/78/54/1144717854.db2.gz VGTGABKRSPHNOJ-OAHLLOKOSA-N 0 3 304.438 2.105 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCC(=O)N[C@H](C)C(C)C ZINC001265664601 1144724757 /nfs/dbraw/zinc/72/47/57/1144724757.db2.gz WCJBLLAXMSTTFH-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NCc2cnns2)CC1 ZINC001265739126 1144736254 /nfs/dbraw/zinc/73/62/54/1144736254.db2.gz ZMYBDTGLZCCSEU-UHFFFAOYSA-N 0 3 308.451 2.267 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2ccnc(OC)c2)C1 ZINC001265932838 1144761947 /nfs/dbraw/zinc/76/19/47/1144761947.db2.gz YGYNWKMVYFTUDX-HNNXBMFYSA-N 0 3 317.433 2.383 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001265949517 1144766237 /nfs/dbraw/zinc/76/62/37/1144766237.db2.gz QVCHQYHYOYCUGT-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001265949261 1144766240 /nfs/dbraw/zinc/76/62/40/1144766240.db2.gz GEWKQHRTIXUIHQ-YESZJQIVSA-N 0 3 300.377 2.143 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001265971755 1144773294 /nfs/dbraw/zinc/77/32/94/1144773294.db2.gz ZFXUKYPLQBLHPE-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC001266047889 1144800228 /nfs/dbraw/zinc/80/02/28/1144800228.db2.gz NXSLQMVMRLYUQQ-ZIAGYGMSSA-N 0 3 323.462 2.171 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001266105531 1144805905 /nfs/dbraw/zinc/80/59/05/1144805905.db2.gz QHZZDOVOXZSHIC-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC001266111015 1144806425 /nfs/dbraw/zinc/80/64/25/1144806425.db2.gz UICGYGGWHMLEPC-INIZCTEOSA-N 0 3 318.392 2.151 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC001266117444 1144807167 /nfs/dbraw/zinc/80/71/67/1144807167.db2.gz TXDNUXLXIQIPHC-INIZCTEOSA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1csnn1 ZINC001266226913 1144816637 /nfs/dbraw/zinc/81/66/37/1144816637.db2.gz IXGSFGDOXBNFQN-LLVKDONJSA-N 0 3 314.842 2.265 20 30 DEEDHN C=C(Br)CNCC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001280154410 1144832782 /nfs/dbraw/zinc/83/27/82/1144832782.db2.gz XVXWCMMUSKKQHM-DRZSPHRISA-N 0 3 315.255 2.379 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1 ZINC001280351263 1144836301 /nfs/dbraw/zinc/83/63/01/1144836301.db2.gz UQDGOTPHMGOVFF-CQSZACIVSA-N 0 3 323.396 2.391 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccnc2C(F)F)CCC1 ZINC001280493545 1144842463 /nfs/dbraw/zinc/84/24/63/1144842463.db2.gz OEKOKZKNCKJIDD-UHFFFAOYSA-N 0 3 307.344 2.285 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC001280745993 1144852310 /nfs/dbraw/zinc/85/23/10/1144852310.db2.gz GTTGBONYJSIKII-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn(-c2ccccc2)cn1 ZINC001280813598 1144857818 /nfs/dbraw/zinc/85/78/18/1144857818.db2.gz FJEZENXRTRXLSJ-UHFFFAOYSA-N 0 3 324.428 2.290 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001280881704 1144861028 /nfs/dbraw/zinc/86/10/28/1144861028.db2.gz VFUVMKLTPXFXRW-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001281209924 1144878196 /nfs/dbraw/zinc/87/81/96/1144878196.db2.gz PEKDDIYXPPSIPK-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CC(N(C)C(=O)CN(C)CCC)C1 ZINC001281352277 1144884338 /nfs/dbraw/zinc/88/43/38/1144884338.db2.gz RUYYYEWPPJHZSM-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCO ZINC001281905023 1144919376 /nfs/dbraw/zinc/91/93/76/1144919376.db2.gz DWNWIRSBPHKLGY-QZTJIDSGSA-N 0 3 314.429 2.119 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ocnc1C(F)(F)F ZINC001281950207 1144922642 /nfs/dbraw/zinc/92/26/42/1144922642.db2.gz RTBJRNVJXGHUQJ-JTQLQIEISA-N 0 3 317.311 2.416 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccn(C)c1C ZINC001281956790 1144924324 /nfs/dbraw/zinc/92/43/24/1144924324.db2.gz LSJVMCFFDWLALU-INIZCTEOSA-N 0 3 319.449 2.073 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001316617224 1144961978 /nfs/dbraw/zinc/96/19/78/1144961978.db2.gz UGVVHXYTBAPVFC-BETUJISGSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(C)n2)CCCC1 ZINC001282242321 1145021213 /nfs/dbraw/zinc/02/12/13/1145021213.db2.gz CXTNWUIHJMZMRP-CHWSQXEVSA-N 0 3 319.453 2.232 20 30 DEEDHN C=CCCC(=O)N(C)CC(C)(C)CNCc1nccnc1C ZINC001282288200 1145029599 /nfs/dbraw/zinc/02/95/99/1145029599.db2.gz CMWJUOLQPJTXCU-UHFFFAOYSA-N 0 3 304.438 2.325 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001282351609 1145044578 /nfs/dbraw/zinc/04/45/78/1145044578.db2.gz DGXACHJLAIHVHQ-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001282505265 1145080807 /nfs/dbraw/zinc/08/08/07/1145080807.db2.gz XCBFJYXGBBHJOI-LLVKDONJSA-N 0 3 307.369 2.020 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)C1(C)CC=CC1 ZINC001282648119 1145110579 /nfs/dbraw/zinc/11/05/79/1145110579.db2.gz PDOUWOZQHMRIGG-MRXNPFEDSA-N 0 3 306.450 2.257 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC001282819977 1145169735 /nfs/dbraw/zinc/16/97/35/1145169735.db2.gz JGCGABGYXVTKJW-OAHLLOKOSA-N 0 3 306.450 2.372 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC001364492498 1145295431 /nfs/dbraw/zinc/29/54/31/1145295431.db2.gz QQJQLVXFJQFTQD-GBESFXJTSA-N 0 3 308.381 2.231 20 30 DEEDHN C[C@@H]1Cc2n[nH]cc2CN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001364510627 1145306816 /nfs/dbraw/zinc/30/68/16/1145306816.db2.gz SMXQRHHOIXIFJB-CYBMUJFWSA-N 0 3 323.400 2.304 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccnc2[nH]cnc21 ZINC001283187636 1145308542 /nfs/dbraw/zinc/30/85/42/1145308542.db2.gz YDERAMLNWCIOHK-LLVKDONJSA-N 0 3 321.812 2.199 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001283469527 1145450947 /nfs/dbraw/zinc/45/09/47/1145450947.db2.gz UNYYLFZCWQNRIH-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2cccnc2OC)C1 ZINC001316628348 1145526847 /nfs/dbraw/zinc/52/68/47/1145526847.db2.gz KWXOURJSDQOPOX-CTYIDZIISA-N 0 3 303.406 2.041 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)C1(C)CCCCCC1 ZINC001283617707 1145546839 /nfs/dbraw/zinc/54/68/39/1145546839.db2.gz KOTPQTPUDDOBSC-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](CO)N[C@@H](C)c1ccccc1C ZINC001283793268 1145648528 /nfs/dbraw/zinc/64/85/28/1145648528.db2.gz TWOMFCKBJJMTRL-IRXDYDNUSA-N 0 3 316.445 2.316 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001283987230 1145737908 /nfs/dbraw/zinc/73/79/08/1145737908.db2.gz XFZDJZZUSDTASZ-HIFRSBDPSA-N 0 3 323.396 2.156 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](NCc2n[nH]c(C(C)C)n2)C(C)(C)C1 ZINC001284274813 1145829463 /nfs/dbraw/zinc/82/94/63/1145829463.db2.gz AQNXUVHDFOYDPD-CYBMUJFWSA-N 0 3 319.453 2.221 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccccc1CCC ZINC001284506429 1145864732 /nfs/dbraw/zinc/86/47/32/1145864732.db2.gz SIGWKGHBWZRISK-INIZCTEOSA-N 0 3 304.434 2.190 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1CCCC(F)(F)C1)CCOC ZINC001284666834 1145887401 /nfs/dbraw/zinc/88/74/01/1145887401.db2.gz AUYVIYWEXWFCEM-AWEZNQCLSA-N 0 3 318.408 2.453 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCOCC(C)C)CC1 ZINC001284673247 1145888715 /nfs/dbraw/zinc/88/87/15/1145888715.db2.gz UWCHPXCYSKENAG-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCc3ccco3)CC2)CC1 ZINC001284821902 1145926180 /nfs/dbraw/zinc/92/61/80/1145926180.db2.gz LZKNEYZVJOFJJN-UHFFFAOYSA-N 0 3 300.402 2.206 20 30 DEEDHN CC1(C(=O)NC[C@H]2C[C@@H](NCc3cc(C#N)ccc3F)C2)CC1 ZINC001365810999 1146017144 /nfs/dbraw/zinc/01/71/44/1146017144.db2.gz QXGCFKNMKOQJDQ-OTVXOJSOSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)[C@H](C)COC)C1 ZINC001365814662 1146018007 /nfs/dbraw/zinc/01/80/07/1146018007.db2.gz SNCXLJDNWQTYTK-CABNGKKXSA-N 0 3 302.846 2.142 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001285708487 1146298184 /nfs/dbraw/zinc/29/81/84/1146298184.db2.gz UIRBIDRXNHEYGG-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2cn(CC)nn2)C1 ZINC001491881786 1146950554 /nfs/dbraw/zinc/95/05/54/1146950554.db2.gz JLPHBJVDMKAIPJ-UONOGXRCSA-N 0 3 319.453 2.027 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001491952168 1147016007 /nfs/dbraw/zinc/01/60/07/1147016007.db2.gz PCUJSEJUUCTIQA-AEFFLSMTSA-N 0 3 314.429 2.148 20 30 DEEDHN CC(C)OCC(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001366030289 1147018359 /nfs/dbraw/zinc/01/83/59/1147018359.db2.gz SJYFFKLOZKPQTG-OAHLLOKOSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001366144592 1147077691 /nfs/dbraw/zinc/07/76/91/1147077691.db2.gz ZMGBHLKYRJRGEQ-TVYUQYBPSA-N 0 3 309.772 2.376 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H](OC)C(F)(F)F ZINC001492109411 1147078240 /nfs/dbraw/zinc/07/82/40/1147078240.db2.gz UVKBAMBGMNZWSU-NXEZZACHSA-N 0 3 316.751 2.191 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001366315392 1147206558 /nfs/dbraw/zinc/20/65/58/1147206558.db2.gz LJMFYJZWSAZOMH-ABAIWWIYSA-N 0 3 309.360 2.286 20 30 DEEDHN C[C@@H](CCNC(=O)c1cccn1C)NCc1ccccc1C#N ZINC001366437561 1147277660 /nfs/dbraw/zinc/27/76/60/1147277660.db2.gz CPQWPYVVOFGZKV-AWEZNQCLSA-N 0 3 310.401 2.195 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001317536334 1147554171 /nfs/dbraw/zinc/55/41/71/1147554171.db2.gz NFWFRAYZTVIPIE-GDBMZVCRSA-N 0 3 302.393 2.076 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cncc(COC)c1 ZINC001316802151 1147602545 /nfs/dbraw/zinc/60/25/45/1147602545.db2.gz FUSZTGCAFVBLGN-KRWDZBQOSA-N 0 3 317.433 2.341 20 30 DEEDHN CCC(=O)NCCCN(CC)Cc1cc(C#N)ccc1OC ZINC001316879395 1147619805 /nfs/dbraw/zinc/61/98/05/1147619805.db2.gz LBZNCJIGKMJZTB-UHFFFAOYSA-N 0 3 303.406 2.305 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(F)ccc(F)c1F)C1CC1 ZINC001316920424 1147631675 /nfs/dbraw/zinc/63/16/75/1147631675.db2.gz MTQDXMKNXWRVCY-UHFFFAOYSA-N 0 3 310.319 2.321 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001316953172 1147638652 /nfs/dbraw/zinc/63/86/52/1147638652.db2.gz LQYXTFXJZUYTDY-QGZVFWFLSA-N 0 3 305.466 2.043 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2cccc(CC)c2)C1 ZINC001316993216 1147645959 /nfs/dbraw/zinc/64/59/59/1147645959.db2.gz NQSYBPYTVSVWBS-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1cncn1C)C1CC1 ZINC001317022962 1147649295 /nfs/dbraw/zinc/64/92/95/1147649295.db2.gz MBCFSZHVLXWRNT-RDJZCZTQSA-N 0 3 304.438 2.007 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](NCc1c(C)noc1C)C1CC1 ZINC001317026108 1147649834 /nfs/dbraw/zinc/64/98/34/1147649834.db2.gz LFROKEHYDXBBBQ-KRWDZBQOSA-N 0 3 317.433 2.469 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317075483 1147656663 /nfs/dbraw/zinc/65/66/63/1147656663.db2.gz FUAFICLXTGTJCX-BRWVUGGUSA-N 0 3 316.470 2.417 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccn(CC)n2)CCCC1 ZINC001367154269 1147657785 /nfs/dbraw/zinc/65/77/85/1147657785.db2.gz BBAIPLKNAOJVHG-UHFFFAOYSA-N 0 3 324.856 2.217 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)Cc2ccc(F)cc2F)C1 ZINC001317130126 1147663354 /nfs/dbraw/zinc/66/33/54/1147663354.db2.gz AQXKEULIXLRIEJ-CQSZACIVSA-N 0 3 320.383 2.359 20 30 DEEDHN CC[C@H](F)CN1CCC(CCNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001367206179 1147664032 /nfs/dbraw/zinc/66/40/32/1147664032.db2.gz DVLKSEOUFZDXNA-AWEZNQCLSA-N 0 3 320.412 2.466 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)COc2cc(C)ccc2C)C1 ZINC001317136918 1147664975 /nfs/dbraw/zinc/66/49/75/1147664975.db2.gz 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C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001317753896 1147749315 /nfs/dbraw/zinc/74/93/15/1147749315.db2.gz JWWJYAWRFIQPJZ-OAHLLOKOSA-N 0 3 300.406 2.389 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001317853335 1147758024 /nfs/dbraw/zinc/75/80/24/1147758024.db2.gz KVHTUSMARXSUCO-QTEJGBTLSA-N 0 3 312.841 2.110 20 30 DEEDHN CC(C)(F)C(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001367874513 1147764163 /nfs/dbraw/zinc/76/41/63/1147764163.db2.gz DNUDZSZLENZOJW-OAHLLOKOSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001367909509 1147768573 /nfs/dbraw/zinc/76/85/73/1147768573.db2.gz QMTGYYJONDHXOE-XNJJOIOASA-N 0 3 315.392 2.338 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)[C@H]2CC23CC3)C2CC2)s1 ZINC001367912189 1147768966 /nfs/dbraw/zinc/76/89/66/1147768966.db2.gz MKDDGIITQYYRPN-HUUCEWRRSA-N 0 3 315.442 2.404 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCOCC2 ZINC001318233542 1147802231 /nfs/dbraw/zinc/80/22/31/1147802231.db2.gz ZVSPVEKGCGVFIE-JYJNAYRXSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001324632796 1147823330 /nfs/dbraw/zinc/82/33/30/1147823330.db2.gz NAKNQCCFQZGXMH-QGZVFWFLSA-N 0 3 320.437 2.282 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CCC3(F)F)CC2)cc1 ZINC001368007156 1147825811 /nfs/dbraw/zinc/82/58/11/1147825811.db2.gz SQLXJPPLBORXLE-AWEZNQCLSA-N 0 3 319.355 2.342 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COc2cccc(Cl)c2)C1 ZINC001324670013 1147828567 /nfs/dbraw/zinc/82/85/67/1147828567.db2.gz UJTYCIDABABYKS-QGZVFWFLSA-N 0 3 320.820 2.323 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCCc2nc(CCC)no2)C1 ZINC001324673333 1147829939 /nfs/dbraw/zinc/82/99/39/1147829939.db2.gz LXUYHUXRFOWKFX-KRWDZBQOSA-N 0 3 320.437 2.111 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC(C)(CNC(=O)CCCC)CC1 ZINC001324845637 1147852440 /nfs/dbraw/zinc/85/24/40/1147852440.db2.gz KWEWCQTZJBAPOI-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2sc(CC)nc2C)CC1 ZINC001324891760 1147855884 /nfs/dbraw/zinc/85/58/84/1147855884.db2.gz BYVNRBYUEPWCCQ-UHFFFAOYSA-N 0 3 319.474 2.479 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001324899278 1147856454 /nfs/dbraw/zinc/85/64/54/1147856454.db2.gz MCNOJXHNGHUIBB-IMJJTQAJSA-N 0 3 305.422 2.178 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(CC)ccn2)C1 ZINC001324935832 1147860272 /nfs/dbraw/zinc/86/02/72/1147860272.db2.gz HCZSDVAAADXSSC-LJQANCHMSA-N 0 3 313.445 2.499 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cnccn1)c1ccccc1CC ZINC001325363472 1147896429 /nfs/dbraw/zinc/89/64/29/1147896429.db2.gz TXYDPAHYERPFKY-KRWDZBQOSA-N 0 3 322.412 2.123 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001325562523 1147950465 /nfs/dbraw/zinc/95/04/65/1147950465.db2.gz SXCCRICEIWJTBE-LSDHHAIUSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(CO)CCCN(CC=C(C)C)C1 ZINC001325838423 1148006142 /nfs/dbraw/zinc/00/61/42/1148006142.db2.gz 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/nfs/dbraw/zinc/74/14/59/361741459.db2.gz ZZCAYLBKTYBRND-LBPRGKRZSA-N 0 3 308.813 2.072 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCC[C@@H](C)C1 ZINC000612121485 361751458 /nfs/dbraw/zinc/75/14/58/361751458.db2.gz VWBBQCPNVYBQAV-HLLBOEOZSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000612372158 361807426 /nfs/dbraw/zinc/80/74/26/361807426.db2.gz SXLDVUVXJLOPMO-QGZVFWFLSA-N 0 3 319.449 2.174 20 30 DEEDHN C=C(C)COc1cc(CN[C@]2(CCO)CCOC2)ccc1OC ZINC000278536025 214220391 /nfs/dbraw/zinc/22/03/91/214220391.db2.gz WBRHLXMOQQRKNN-GOSISDBHSA-N 0 3 321.417 2.281 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000272852036 210247085 /nfs/dbraw/zinc/24/70/85/210247085.db2.gz LHPPPJGQWLDRGN-UONOGXRCSA-N 0 3 311.447 2.378 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(CC)CC1)C(C)C ZINC000079440497 185171621 /nfs/dbraw/zinc/17/16/21/185171621.db2.gz WRYVJFPRBQFPEM-KRWDZBQOSA-N 0 3 322.497 2.032 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000368497098 529488739 /nfs/dbraw/zinc/48/87/39/529488739.db2.gz VMJNZLMAUROZSF-HNNXBMFYSA-N 0 3 309.479 2.404 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccc(C#N)cc1 ZINC000613390229 362097873 /nfs/dbraw/zinc/09/78/73/362097873.db2.gz ZTMJCNYYGWOVAT-RDTXWAMCSA-N 0 3 323.396 2.251 20 30 DEEDHN CN1CCN(Cc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713328 529774270 /nfs/dbraw/zinc/77/42/70/529774270.db2.gz ISVBNYVSLXWVOP-RBUKOAKNSA-N 0 3 312.461 2.216 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)CSc3ccc(C#N)cc3)C2)C1 ZINC000292336457 529810532 /nfs/dbraw/zinc/81/05/32/529810532.db2.gz UPHILLQUHHGTJF-KRWDZBQOSA-N 0 3 315.442 2.205 20 30 DEEDHN CN(CC(=O)OC(C)(C)C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330444197 282360997 /nfs/dbraw/zinc/36/09/97/282360997.db2.gz GKGOLNPMSAJBEP-GDBMZVCRSA-N 0 3 321.465 2.417 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCCc2ccc(C#N)cc2)C1 ZINC000595453110 358452886 /nfs/dbraw/zinc/45/28/86/358452886.db2.gz FBQMRZVAKNEHSX-OAHLLOKOSA-N 0 3 314.433 2.132 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000329842394 404468556 /nfs/dbraw/zinc/46/85/56/404468556.db2.gz KIQAMEOCUUFUGD-ZIAGYGMSSA-N 0 3 320.437 2.103 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1csnn1 ZINC000413994647 404469190 /nfs/dbraw/zinc/46/91/90/404469190.db2.gz RSTPDYGETWWPCF-AAEUAGOBSA-N 0 3 300.387 2.488 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1Cc1ccccc1 ZINC000152594128 186087889 /nfs/dbraw/zinc/08/78/89/186087889.db2.gz MIGBZQSDXFYRBI-CJNGLKHVSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617346426 363102069 /nfs/dbraw/zinc/10/20/69/363102069.db2.gz VEWSLUKSDYBSLQ-CYBMUJFWSA-N 0 3 303.406 2.249 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c(F)c1 ZINC000331983217 234349685 /nfs/dbraw/zinc/34/96/85/234349685.db2.gz SVKOWSSTUVQJSI-UAGQMJEPSA-N 0 3 304.365 2.059 20 30 DEEDHN CCCCN(CCCO)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000182141155 199392342 /nfs/dbraw/zinc/39/23/42/199392342.db2.gz QKAXZUMLSIZCRW-QGZVFWFLSA-N 0 3 315.417 2.148 20 30 DEEDHN CO/N=C/c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000044215789 354231987 /nfs/dbraw/zinc/23/19/87/354231987.db2.gz PMMYFKOTEFPYFU-LDADJPATSA-N 0 3 301.390 2.024 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000047750281 354329908 /nfs/dbraw/zinc/32/99/08/354329908.db2.gz SMRTZWCAWYJNDR-UHFFFAOYSA-N 0 3 315.398 2.220 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1 ZINC000050895473 354377185 /nfs/dbraw/zinc/37/71/85/354377185.db2.gz ZAOLGWKCVZZHGN-UHFFFAOYSA-N 0 3 323.400 2.064 20 30 DEEDHN COCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000054354157 354459545 /nfs/dbraw/zinc/45/95/45/354459545.db2.gz SIFBWHQKSZCHLQ-UHFFFAOYSA-N 0 3 321.446 2.405 20 30 DEEDHN N#Cc1ccccc1CN1CCC(CCN2CCOCC2)CC1 ZINC000064344404 354664658 /nfs/dbraw/zinc/66/46/58/354664658.db2.gz FGNDRLDOIJGRIS-UHFFFAOYSA-N 0 3 313.445 2.493 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000065510728 354684277 /nfs/dbraw/zinc/68/42/77/354684277.db2.gz GCNZYNHEZHVARL-LNLFQRSKSA-N 0 3 318.461 2.145 20 30 DEEDHN C#CCNC(=O)CCNCc1ccccc1OC1CCCC1 ZINC000064615281 354671155 /nfs/dbraw/zinc/67/11/55/354671155.db2.gz CSZHUZHXALUDMV-UHFFFAOYSA-N 0 3 300.402 2.237 20 30 DEEDHN C[C@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 ZINC000064724799 354673340 /nfs/dbraw/zinc/67/33/40/354673340.db2.gz HKYWKUSQZVPRDZ-HUUCEWRRSA-N 0 3 314.433 2.207 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1 ZINC000069506282 354868097 /nfs/dbraw/zinc/86/80/97/354868097.db2.gz RTXCYMPQMKGFEZ-INIZCTEOSA-N 0 3 318.417 2.092 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CO)C(C)C ZINC000073710571 354976712 /nfs/dbraw/zinc/97/67/12/354976712.db2.gz KEISUUCXXGQSPS-BRWVUGGUSA-N 0 3 323.481 2.145 20 30 DEEDHN COC1CCN(CCNc2c(C#N)nnc3ccccc32)CC1 ZINC000080250355 355354936 /nfs/dbraw/zinc/35/49/36/355354936.db2.gz XJJXPYLJRDCMCU-UHFFFAOYSA-N 0 3 311.389 2.024 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccn3)no2)CC1 ZINC000081355647 355421363 /nfs/dbraw/zinc/42/13/63/355421363.db2.gz LTMQCHKFLXWXMZ-UHFFFAOYSA-N 0 3 312.373 2.117 20 30 DEEDHN COCCN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000081729230 355445778 /nfs/dbraw/zinc/44/57/78/355445778.db2.gz LARKRZBLFYGBNO-UHFFFAOYSA-N 0 3 315.417 2.285 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N1CCCN(CC)CC1 ZINC000091179394 355585468 /nfs/dbraw/zinc/58/54/68/355585468.db2.gz CAFZLWIJEZBCGF-UHFFFAOYSA-N 0 3 319.380 2.397 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C#N)cc1F ZINC000105722365 355721545 /nfs/dbraw/zinc/72/15/45/355721545.db2.gz VNKCWAKUDNRIRT-UHFFFAOYSA-N 0 3 320.412 2.427 20 30 DEEDHN N#Cc1cccc(OCCN2CCN(c3ccncc3)CC2)c1 ZINC000125260128 355811580 /nfs/dbraw/zinc/81/15/80/355811580.db2.gz NCIBHAABQXZCOJ-UHFFFAOYSA-N 0 3 308.385 2.154 20 30 DEEDHN COC[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C1CC1 ZINC000183432325 356172007 /nfs/dbraw/zinc/17/20/07/356172007.db2.gz YNKJLTNLMZJYJK-DHCNJQPXSA-N 0 3 321.465 2.320 20 30 DEEDHN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1ccccn1 ZINC000183482138 356172785 /nfs/dbraw/zinc/17/27/85/356172785.db2.gz UVLQCVGCLCYBJD-KGLIPLIRSA-N 0 3 309.325 2.134 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000182828901 356147316 /nfs/dbraw/zinc/14/73/16/356147316.db2.gz CJZYNHWFPNIJAA-GFCCVEGCSA-N 0 3 324.375 2.198 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000182823558 356147664 /nfs/dbraw/zinc/14/76/64/356147664.db2.gz DCRGQIPYIHSRRB-NVXWUHKLSA-N 0 3 314.433 2.452 20 30 DEEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H](C)C#N ZINC000182842533 356148657 /nfs/dbraw/zinc/14/86/57/356148657.db2.gz HGTQDPCIUMFNRP-CQSZACIVSA-N 0 3 302.422 2.439 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCOCC3(CCCC3)C2)cc1 ZINC000368417292 283187089 /nfs/dbraw/zinc/18/70/89/283187089.db2.gz QXRJJIFNKSATJC-KRWDZBQOSA-N 0 3 300.402 2.484 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCSC3(CCOCC3)C2)cc1 ZINC000186799258 283188914 /nfs/dbraw/zinc/18/89/14/283188914.db2.gz PYSSBMPNFCLMIC-MRXNPFEDSA-N 0 3 318.442 2.190 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000351092382 356612080 /nfs/dbraw/zinc/61/20/80/356612080.db2.gz CDJXJMCNIIUMBM-SJKOYZFVSA-N 0 3 312.373 2.478 20 30 DEEDHN CN(c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1)S(C)(=O)=O ZINC000618568005 363529326 /nfs/dbraw/zinc/52/93/26/363529326.db2.gz IFDITCILMIUHLU-CABCVRRESA-N 0 3 321.446 2.254 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1C#N)COCC2 ZINC000578516857 356830088 /nfs/dbraw/zinc/83/00/88/356830088.db2.gz BXVBUOXXEZVTNR-XJKSGUPXSA-N 0 3 312.417 2.089 20 30 DEEDHN CS[C@H](CNCc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000578237226 356785299 /nfs/dbraw/zinc/78/52/99/356785299.db2.gz FLUNORIRPNEEIB-CYBMUJFWSA-N 0 3 303.435 2.468 20 30 DEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1F ZINC000581696374 357231671 /nfs/dbraw/zinc/23/16/71/357231671.db2.gz GZYFOPXEVKACCS-CQSZACIVSA-N 0 3 302.353 2.399 20 30 DEEDHN C=CCCN1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000178470178 198873066 /nfs/dbraw/zinc/87/30/66/198873066.db2.gz GEBODCTZJZSALB-UHFFFAOYSA-N 0 3 320.433 2.406 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000588913387 357433015 /nfs/dbraw/zinc/43/30/15/357433015.db2.gz YWXGDAJUPIQHJN-RHSMWYFYSA-N 0 3 318.396 2.154 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCC1(F)F ZINC000589276239 357460165 /nfs/dbraw/zinc/46/01/65/357460165.db2.gz OEQMBGNTOHBXEF-HIFRSBDPSA-N 0 3 324.371 2.469 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C#N)n1 ZINC000589458272 357471822 /nfs/dbraw/zinc/47/18/22/357471822.db2.gz ODGVEEZYEIXFFW-KBXCAEBGSA-N 0 3 320.396 2.204 20 30 DEEDHN N#CCCOCCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000590155898 357522552 /nfs/dbraw/zinc/52/25/52/357522552.db2.gz SKRJXTOOCXLZCR-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000590671394 357576992 /nfs/dbraw/zinc/57/69/92/357576992.db2.gz BDTZLWSPIKELRJ-QGZVFWFLSA-N 0 3 322.412 2.243 20 30 DEEDHN N#CC1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000590489461 357550447 /nfs/dbraw/zinc/55/04/47/357550447.db2.gz QFJZTRWDTYKNCA-HNNXBMFYSA-N 0 3 301.365 2.020 20 30 DEEDHN Cc1cccc2c1ncc(C#N)c2NC[C@@H]1CCCN1CCCO ZINC000590707641 357587398 /nfs/dbraw/zinc/58/73/98/357587398.db2.gz PIMZEGLKKDRPIG-INIZCTEOSA-N 0 3 324.428 2.096 20 30 DEEDHN Cc1c2cc(F)ccc2oc1CNC[C@H](O)CN(C)CCC#N ZINC000591241414 357694094 /nfs/dbraw/zinc/69/40/94/357694094.db2.gz HICLDBMXJFXYAN-AWEZNQCLSA-N 0 3 319.380 2.176 20 30 DEEDHN CO[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000591629733 357745798 /nfs/dbraw/zinc/74/57/98/357745798.db2.gz MLCVIJDZFHRPGV-KBPBESRZSA-N 0 3 309.797 2.165 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000591865367 357769631 /nfs/dbraw/zinc/76/96/31/357769631.db2.gz LKMJYVGAFGRNPV-XHDPSFHLSA-N 0 3 302.353 2.255 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183150 357847435 /nfs/dbraw/zinc/84/74/35/357847435.db2.gz RVZXPECUGRNUEJ-BFYDXBDKSA-N 0 3 321.465 2.320 20 30 DEEDHN Cc1ccc(CN2CC[C@](O)(CC#N)C2)c(-c2cnn(C)c2)c1 ZINC000592522301 357893785 /nfs/dbraw/zinc/89/37/85/357893785.db2.gz LEBIKJZSAFVMDM-GOSISDBHSA-N 0 3 310.401 2.246 20 30 DEEDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCC(CCC#N)CC1 ZINC000592567834 357902540 /nfs/dbraw/zinc/90/25/40/357902540.db2.gz IBKJWPSAUBWJQM-RKVPGOIHSA-N 0 3 319.449 2.061 20 30 DEEDHN C=CCC1(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000666980360 540374641 /nfs/dbraw/zinc/37/46/41/540374641.db2.gz VJIISSGJNYMTHS-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN N#C[C@]1(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)CCSC1 ZINC000594257273 358234827 /nfs/dbraw/zinc/23/48/27/358234827.db2.gz DGGMYQWOKUDTEX-DOTOQJQBSA-N 0 3 315.442 2.024 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000594425586 358266160 /nfs/dbraw/zinc/26/61/60/358266160.db2.gz LCOIKXOAIRNPIP-ZDUSSCGKSA-N 0 3 311.332 2.315 20 30 DEEDHN N#Cc1cc2c(nc1N[C@H]1CCCN3CCCC[C@@H]13)CCOC2 ZINC000594597927 358301964 /nfs/dbraw/zinc/30/19/64/358301964.db2.gz FBUKEDYFAJJRJK-IRXDYDNUSA-N 0 3 312.417 2.455 20 30 DEEDHN N#Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)cc(N)c1[N+](=O)[O-] ZINC000594604417 358303796 /nfs/dbraw/zinc/30/37/96/358303796.db2.gz ZATPFKYIPQTMBM-LSDHHAIUSA-N 0 3 315.377 2.477 20 30 DEEDHN N#Cc1ccc(N2CCC(N[C@H]3CCCn4ccnc43)CC2)nc1 ZINC000594495775 358283364 /nfs/dbraw/zinc/28/33/64/358283364.db2.gz VXODTSHFVAPGME-INIZCTEOSA-N 0 3 322.416 2.243 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000618815110 363609965 /nfs/dbraw/zinc/60/99/65/363609965.db2.gz VIJUZHIBRAMJJS-YOEHRIQHSA-N 0 3 310.401 2.081 20 30 DEEDHN CN(C)CCOC1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596124921 358616938 /nfs/dbraw/zinc/61/69/38/358616938.db2.gz IWSZPAAWZMWJDF-UHFFFAOYSA-N 0 3 314.842 2.215 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000596486770 358696705 /nfs/dbraw/zinc/69/67/05/358696705.db2.gz AFTUSQYSTMFHFA-LBPRGKRZSA-N 0 3 303.366 2.394 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000597924906 359043032 /nfs/dbraw/zinc/04/30/32/359043032.db2.gz UWDIZYDGZJSUSL-HNNXBMFYSA-N 0 3 314.433 2.227 20 30 DEEDHN CN(CC1=CCSC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598516369 359227348 /nfs/dbraw/zinc/22/73/48/359227348.db2.gz SWEIELUIXZSCSW-MRXNPFEDSA-N 0 3 311.410 2.372 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1 ZINC000598576610 359247266 /nfs/dbraw/zinc/24/72/66/359247266.db2.gz XRKURJDXSGRFBM-HNNXBMFYSA-N 0 3 303.431 2.107 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000598598717 359256392 /nfs/dbraw/zinc/25/63/92/359256392.db2.gz SZRQHPWGIXEFMM-HIFRSBDPSA-N 0 3 317.437 2.093 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(N2CCCCC2)nc1 ZINC000598715481 359303090 /nfs/dbraw/zinc/30/30/90/359303090.db2.gz RKWZGVNLGGRHPQ-INIZCTEOSA-N 0 3 316.449 2.462 20 30 DEEDHN COCCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598715507 359303331 /nfs/dbraw/zinc/30/33/31/359303331.db2.gz SBOSOFGMSGOTIK-OAHLLOKOSA-N 0 3 306.406 2.102 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccnc(C(F)(F)F)c1 ZINC000598726769 359306232 /nfs/dbraw/zinc/30/62/32/359306232.db2.gz BEKYDBVXHUXSPR-NSHDSACASA-N 0 3 301.312 2.491 20 30 DEEDHN CCn1ccnc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598738334 359309259 /nfs/dbraw/zinc/30/92/59/359309259.db2.gz KDUWWGPYBPBLCC-CZUORRHYSA-N 0 3 321.384 2.334 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000598615526 359262182 /nfs/dbraw/zinc/26/21/82/359262182.db2.gz CJQMTDIAZCCXDX-DGCLKSJQSA-N 0 3 308.344 2.066 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000667592024 540481978 /nfs/dbraw/zinc/48/19/78/540481978.db2.gz HLNXAYVMHYHHDK-SJLPKXTDSA-N 0 3 302.418 2.185 20 30 DEEDHN CCC(C#N)(CC)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000599763339 359593526 /nfs/dbraw/zinc/59/35/26/359593526.db2.gz SRYPQASGAJDCKF-UONOGXRCSA-N 0 3 309.479 2.355 20 30 DEEDHN CC[C@]1(CO)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000187521836 200122833 /nfs/dbraw/zinc/12/28/33/200122833.db2.gz AEVWVSAJOBXDCQ-SFHVURJKSA-N 0 3 318.417 2.430 20 30 DEEDHN COc1cccc([C@@H](CNc2nc(C)cc(C#N)n2)N(C)C)c1 ZINC000281063504 216054418 /nfs/dbraw/zinc/05/44/18/216054418.db2.gz ZFQAISIUUNJAKR-MRXNPFEDSA-N 0 3 311.389 2.380 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000601164735 359949444 /nfs/dbraw/zinc/94/94/44/359949444.db2.gz UPKVTTFOSOZDFU-LBPRGKRZSA-N 0 3 318.398 2.448 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([C@@H]2CCCO2)CC1 ZINC000189213213 200365105 /nfs/dbraw/zinc/36/51/05/200365105.db2.gz SXVWWHSBPPJMIP-WBVHZDCISA-N 0 3 306.450 2.467 20 30 DEEDHN C[C@@H](CCC#N)CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000602430770 360369175 /nfs/dbraw/zinc/36/91/75/360369175.db2.gz QNZWHJTVQRTGGP-INIZCTEOSA-N 0 3 311.433 2.392 20 30 DEEDHN COc1ccccc1N1CC[C@H](NC[C@H](C)CCC#N)C1=O ZINC000602567066 360435995 /nfs/dbraw/zinc/43/59/95/360435995.db2.gz HGMIASQVQVMXKH-KGLIPLIRSA-N 0 3 301.390 2.330 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccsc1C(F)(F)F ZINC000602580832 360442802 /nfs/dbraw/zinc/44/28/02/360442802.db2.gz PCWHMSSAFIVHQB-VIFPVBQESA-N 0 3 305.325 2.404 20 30 DEEDHN C[S@](=O)C1(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000441377449 238021709 /nfs/dbraw/zinc/02/17/09/238021709.db2.gz LIFVPWCXGBLMGR-NRFANRHFSA-N 0 3 306.431 2.370 20 30 DEEDHN CC(C)OCCCNC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602764831 360540968 /nfs/dbraw/zinc/54/09/68/360540968.db2.gz ZIIQEWSWNALHDH-UHFFFAOYSA-N 0 3 321.465 2.324 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NCc2cc(F)ccc2N2CCOCC2)C1 ZINC000442794879 238077499 /nfs/dbraw/zinc/07/74/99/238077499.db2.gz QQPDTFZVSNBTHS-CZUORRHYSA-N 0 3 303.381 2.444 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC2(CCSCC2)CC1 ZINC000602949892 360641081 /nfs/dbraw/zinc/64/10/81/360641081.db2.gz WSFKDCRCQGWLIV-CQSZACIVSA-N 0 3 309.479 2.356 20 30 DEEDHN N#CCCOCCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603142807 360719268 /nfs/dbraw/zinc/71/92/68/360719268.db2.gz FLOZHBKJOAHRBV-KBPBESRZSA-N 0 3 316.323 2.041 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444527232 238188419 /nfs/dbraw/zinc/18/84/19/238188419.db2.gz RVBFKSHYGCDUGO-LLVKDONJSA-N 0 3 302.765 2.020 20 30 DEEDHN CC(C)[C@H]1CN(c2cc(C#N)c(Br)cn2)CCN1C ZINC000603357537 360805323 /nfs/dbraw/zinc/80/53/23/360805323.db2.gz DLZSBVMNTJOFDD-CYBMUJFWSA-N 0 3 323.238 2.492 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000603848789 360865154 /nfs/dbraw/zinc/86/51/54/360865154.db2.gz VUHNCYVZDXSVKS-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN COCC#CCN[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000670092873 540915576 /nfs/dbraw/zinc/91/55/76/540915576.db2.gz ZJZVAQMQCGIKCD-OALUTQOASA-N 0 3 314.429 2.212 20 30 DEEDHN C=C(C)Cn1c(COC)nnc1N1CCN(C2CCCC2)CC1 ZINC000670224689 540922110 /nfs/dbraw/zinc/92/21/10/540922110.db2.gz FJGQHPHEXUDESE-UHFFFAOYSA-N 0 3 319.453 2.065 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000292603386 223167082 /nfs/dbraw/zinc/16/70/82/223167082.db2.gz JWTYWHZDVQWDTL-AWEZNQCLSA-N 0 3 314.433 2.086 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000609399207 361309779 /nfs/dbraw/zinc/30/97/79/361309779.db2.gz NTHYJDAGHOPROY-GUYCJALGSA-N 0 3 312.417 2.403 20 30 DEEDHN CN1CC[C@@H](C(=O)N[C@H](C#N)c2ccccc2Br)C1 ZINC000609590251 361324889 /nfs/dbraw/zinc/32/48/89/361324889.db2.gz GPMPRZWKYTVVPG-ZWNOBZJWSA-N 0 3 322.206 2.082 20 30 DEEDHN CN1CC[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)C1 ZINC000609590249 361324926 /nfs/dbraw/zinc/32/49/26/361324926.db2.gz GPMPRZWKYTVVPG-GXFFZTMASA-N 0 3 322.206 2.082 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000610947109 361495842 /nfs/dbraw/zinc/49/58/42/361495842.db2.gz RVFBYXWYJDJDMI-SJCJKPOMSA-N 0 3 315.392 2.434 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)COCC1CC1 ZINC000611392199 361589080 /nfs/dbraw/zinc/58/90/80/361589080.db2.gz JVMQMSLHCAOKDE-AEFFLSMTSA-N 0 3 300.402 2.313 20 30 DEEDHN C=C[C@](C)(O)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000611661663 361653915 /nfs/dbraw/zinc/65/39/15/361653915.db2.gz ODDZAQXBHGAHMC-YJBOKZPZSA-N 0 3 302.418 2.046 20 30 DEEDHN C=C[C@H](NCC1CCN(Cc2cccs2)CC1)C(=O)OC ZINC000619700974 363859664 /nfs/dbraw/zinc/85/96/64/363859664.db2.gz SETHXFQYMMNQFY-HNNXBMFYSA-N 0 3 308.447 2.277 20 30 DEEDHN COC(=O)C1(CNCc2ccc(C#N)c(OC)c2)CCCC1 ZINC000619654481 363849163 /nfs/dbraw/zinc/84/91/63/363849163.db2.gz RWMAHSBFWXUPMB-UHFFFAOYSA-N 0 3 302.374 2.390 20 30 DEEDHN C=CCN1CCC(NC(=O)COCc2ccccc2C)CC1 ZINC000621858863 364562184 /nfs/dbraw/zinc/56/21/84/364562184.db2.gz IRVJRNTZWJPNBG-UHFFFAOYSA-N 0 3 302.418 2.278 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3cccc(C)c3O2)CC1 ZINC000449842665 241152593 /nfs/dbraw/zinc/15/25/93/241152593.db2.gz DRBPPBFMXMMZEX-INIZCTEOSA-N 0 3 300.402 2.065 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc3c2O[C@@H](C)C3)CC1 ZINC000449846608 241161771 /nfs/dbraw/zinc/16/17/71/241161771.db2.gz ZJUIVIRGRLTZCX-ZDUSSCGKSA-N 0 3 300.402 2.390 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000450693921 242104569 /nfs/dbraw/zinc/10/45/69/242104569.db2.gz FTRNZAKYPMJIIG-ORQFMDKSSA-N 0 3 302.418 2.385 20 30 DEEDHN C=CC[C@@H](C(=O)NCCCN1CCN(C)CC1)c1ccccc1 ZINC000275172438 212168945 /nfs/dbraw/zinc/16/89/45/212168945.db2.gz VBMRHJDVLKYKBP-GOSISDBHSA-N 0 3 315.461 2.100 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451605477 243193549 /nfs/dbraw/zinc/19/35/49/243193549.db2.gz GPEAIVMBHSZSNK-WMZOPIPTSA-N 0 3 300.402 2.454 20 30 DEEDHN C=CCOc1ccc(CN(C)C[C@@H](C)C(=O)NC)cc1OC ZINC000093899234 193325556 /nfs/dbraw/zinc/32/55/56/193325556.db2.gz OPTWOCMYOPFZFJ-CYBMUJFWSA-N 0 3 306.406 2.074 20 30 DEEDHN C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)c(F)c1 ZINC000453370888 245100414 /nfs/dbraw/zinc/10/04/14/245100414.db2.gz YNSGAAKGBBMSON-WQVCFCJDSA-N 0 3 303.381 2.211 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)COc1cccnc1)C(C)C ZINC000264949597 204297029 /nfs/dbraw/zinc/29/70/29/204297029.db2.gz UCVAWDSPRZRYPA-KRWDZBQOSA-N 0 3 317.433 2.275 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2ncc(C#N)cc2Cl)CC1 ZINC000265171490 204429434 /nfs/dbraw/zinc/42/94/34/204429434.db2.gz YRHIFKIYJCVVRH-CYBMUJFWSA-N 0 3 321.856 2.292 20 30 DEEDHN C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1 ZINC000288348589 220099192 /nfs/dbraw/zinc/09/91/92/220099192.db2.gz TVSDMAJHQKNZBM-SUMWQHHRSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCOCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000679631115 541884926 /nfs/dbraw/zinc/88/49/26/541884926.db2.gz XBHCBLIZPIZOGB-UHFFFAOYSA-N 0 3 323.412 2.102 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2sc(C)nc2C)CC1 ZINC000266517000 205404162 /nfs/dbraw/zinc/40/41/62/205404162.db2.gz NDOMVCQTWKGNFE-UHFFFAOYSA-N 0 3 308.451 2.210 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccncc2Cl)[C@H]1C ZINC001088860993 781961841 /nfs/dbraw/zinc/96/18/41/781961841.db2.gz KQPXQJSPURNALJ-DOMZBBRYSA-N 0 3 307.825 2.433 20 30 DEEDHN C#CCCCCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000160040733 197381989 /nfs/dbraw/zinc/38/19/89/197381989.db2.gz DYTYYWXYSXFXFN-UHFFFAOYSA-N 0 3 317.433 2.230 20 30 DEEDHN C=CCC1(NC(=O)CCN2CCN(CC)CC2)CCCCC1 ZINC000456364749 247128751 /nfs/dbraw/zinc/12/87/51/247128751.db2.gz KDZRTDBHUXJSJG-UHFFFAOYSA-N 0 3 307.482 2.409 20 30 DEEDHN Cc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1OCCN(C)C ZINC000458207888 248203497 /nfs/dbraw/zinc/20/34/97/248203497.db2.gz IWHZILKANBTREV-SUMWQHHRSA-N 0 3 301.390 2.424 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458211663 248208835 /nfs/dbraw/zinc/20/88/35/248208835.db2.gz GZQNPOOFMIGLMZ-UHFFFAOYSA-N 0 3 316.430 2.460 20 30 DEEDHN Cc1cc(NC(=O)c2cc(C#N)c[nH]2)ccc1OCCN(C)C ZINC000458191512 248195328 /nfs/dbraw/zinc/19/53/28/248195328.db2.gz GWBCGHNROYEMCF-UHFFFAOYSA-N 0 3 312.373 2.388 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCO[C@@H](C(C)C)C2)CC1 ZINC000458345366 248271186 /nfs/dbraw/zinc/27/11/86/248271186.db2.gz UZZCWDTUSODQJB-MRXNPFEDSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(OC)c(O)c2)CC1 ZINC000492645271 249107386 /nfs/dbraw/zinc/10/73/86/249107386.db2.gz JUXHELMQKUZCBN-ALCCZGGFSA-N 0 3 316.401 2.181 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000042237860 183245609 /nfs/dbraw/zinc/24/56/09/183245609.db2.gz QDQQSFNJDQARDB-GHMZBOCLSA-N 0 3 309.207 2.238 20 30 DEEDHN CCOC(=O)[C@](C)(O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000274157074 211387020 /nfs/dbraw/zinc/38/70/20/211387020.db2.gz DPWGRYYCCHOKMY-SUMWQHHRSA-N 0 3 304.390 2.255 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000274134048 211386939 /nfs/dbraw/zinc/38/69/39/211386939.db2.gz PXBBTBKTCIVAPU-SFHVURJKSA-N 0 3 311.429 2.458 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)(C)C)nn2C)CC1 ZINC000106035912 194180692 /nfs/dbraw/zinc/18/06/92/194180692.db2.gz SHWCKTCUGQTWKF-UHFFFAOYSA-N 0 3 318.465 2.488 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3c2OCO3)CC1 ZINC000106035837 194180743 /nfs/dbraw/zinc/18/07/43/194180743.db2.gz RYOINXDBCZYOFA-UHFFFAOYSA-N 0 3 302.374 2.186 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2OC)CC1 ZINC000106039569 194181136 /nfs/dbraw/zinc/18/11/36/194181136.db2.gz GEYDCQZCAQQQTP-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN COCCN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269126183 207260350 /nfs/dbraw/zinc/26/03/50/207260350.db2.gz KMSOYENCYKALFM-LBPRGKRZSA-N 0 3 322.796 2.054 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000295806866 532978565 /nfs/dbraw/zinc/97/85/65/532978565.db2.gz BJTJSBCVAJIXCF-NZVBXONLSA-N 0 3 319.405 2.356 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000248613116 285040824 /nfs/dbraw/zinc/04/08/24/285040824.db2.gz QWXHALYNNVCUMT-IJEWVQPXSA-N 0 3 315.417 2.149 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nn1C)C(C)C ZINC000120087444 195094684 /nfs/dbraw/zinc/09/46/84/195094684.db2.gz VOCKMEYYBBZSKQ-MRXNPFEDSA-N 0 3 304.438 2.157 20 30 DEEDHN COc1cc(NC2CCN(C(=O)C(C)C#N)CC2)cc(OC)c1 ZINC000443797046 533025789 /nfs/dbraw/zinc/02/57/89/533025789.db2.gz HVHSVVUXRCOIFI-GFCCVEGCSA-N 0 3 317.389 2.266 20 30 DEEDHN N#Cc1cccc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 ZINC000270093578 208153286 /nfs/dbraw/zinc/15/32/86/208153286.db2.gz XZUZVPWMHLHKHC-FUHWJXTLSA-N 0 3 322.412 2.248 20 30 DEEDHN C=C[C@H](CC(=O)N1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000270225596 208289982 /nfs/dbraw/zinc/28/99/82/208289982.db2.gz NBPNUBJNCMVNDW-QGZVFWFLSA-N 0 3 315.461 2.052 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(CC)o2)CC1 ZINC000492569797 533046161 /nfs/dbraw/zinc/04/61/61/533046161.db2.gz VFBKSXZOAXRSMU-CMDGGOBGSA-N 0 3 300.402 2.459 20 30 DEEDHN C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000272926917 210313841 /nfs/dbraw/zinc/31/38/41/210313841.db2.gz KTBZOJJGIQPKKT-CQSZACIVSA-N 0 3 312.417 2.350 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000294720221 224190825 /nfs/dbraw/zinc/19/08/25/224190825.db2.gz FLDITMRUVUQEND-DLBZAZTESA-N 0 3 305.381 2.339 20 30 DEEDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)C#N ZINC000345320082 285252549 /nfs/dbraw/zinc/25/25/49/285252549.db2.gz NUQWGUGHXRTFQM-GDBMZVCRSA-N 0 3 300.406 2.054 20 30 DEEDHN C=CCCC(=O)N1CCC(CC)(NCc2cn(CC)nn2)CC1 ZINC001327438277 1148555659 /nfs/dbraw/zinc/55/56/59/1148555659.db2.gz VYDQHUPITBBWSJ-UHFFFAOYSA-N 0 3 319.453 2.125 20 30 DEEDHN C[C@@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)N1CCC[C@@H](C)C1 ZINC000330978269 533361986 /nfs/dbraw/zinc/36/19/86/533361986.db2.gz OVPQRRTYDCAEEL-QKPAOTATSA-N 0 3 311.470 2.162 20 30 DEEDHN C[C@@H](CCC#N)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000411180809 533512134 /nfs/dbraw/zinc/51/21/34/533512134.db2.gz CUDDVARCLVFISY-ZDUSSCGKSA-N 0 3 307.360 2.265 20 30 DEEDHN N#Cc1cccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000340574022 132023757 /nfs/dbraw/zinc/02/37/57/132023757.db2.gz HABCKSZTBLIAMN-IRXDYDNUSA-N 0 3 308.385 2.001 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000685763097 542753464 /nfs/dbraw/zinc/75/34/64/542753464.db2.gz HSMRLJBLPBLPDF-AEFFLSMTSA-N 0 3 302.418 2.046 20 30 DEEDHN Cc1c(C(=O)NC2CCN(C)CC2)nnn1CC1CCCC1 ZINC000329864891 404476333 /nfs/dbraw/zinc/47/63/33/404476333.db2.gz SYPNVJWGMIBXEW-UHFFFAOYSA-N 0 3 305.426 2.176 20 30 DEEDHN Cc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1C#N ZINC000564710171 292106110 /nfs/dbraw/zinc/10/61/10/292106110.db2.gz ALBAECMYMOAVLV-HACGYAERSA-N 0 3 312.417 2.064 20 30 DEEDHN CC(C)C[C@@]1(CO)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000191664633 145062402 /nfs/dbraw/zinc/06/24/02/145062402.db2.gz DDNZZDFGSLNLIW-GOSISDBHSA-N 0 3 315.417 2.370 20 30 DEEDHN N#Cc1ccc(OCCN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246529345 145105657 /nfs/dbraw/zinc/10/56/57/145105657.db2.gz AHGYPGNEPUQKPP-CVEARBPZSA-N 0 3 304.415 2.143 20 30 DEEDHN N#Cc1cc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)ccc1F ZINC000550502525 285872328 /nfs/dbraw/zinc/87/23/28/285872328.db2.gz KEWIHUMSLDYDIY-IAGOWNOFSA-N 0 3 304.365 2.107 20 30 DEEDHN N#Cc1cnc2ccccc2c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000320766951 145375543 /nfs/dbraw/zinc/37/55/43/145375543.db2.gz AKSPMFKUURGHKI-LSDHHAIUSA-N 0 3 308.385 2.382 20 30 DEEDHN Cc1nc(SCC(=O)N[C@H](C)CN(C)C)c(C#N)c(C)c1C ZINC000346259689 146049348 /nfs/dbraw/zinc/04/93/48/146049348.db2.gz KNPRBIIKLOFPJM-SNVBAGLBSA-N 0 3 320.462 2.037 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000346689040 146124982 /nfs/dbraw/zinc/12/49/82/146124982.db2.gz PUZXLFYQRFWGKW-CJNGLKHVSA-N 0 3 308.385 2.452 20 30 DEEDHN CCS[C@H]1CCC[C@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000348469027 146275069 /nfs/dbraw/zinc/27/50/69/146275069.db2.gz LTEMHQPBEJBUAK-CVEARBPZSA-N 0 3 317.458 2.438 20 30 DEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)NCc1cccc(C#N)c1 ZINC000348469031 146275503 /nfs/dbraw/zinc/27/55/03/146275503.db2.gz LTEMHQPBEJBUAK-HZPDHXFCSA-N 0 3 317.458 2.438 20 30 DEEDHN CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N1CCc2ccccc2C1 ZINC000359032874 147250039 /nfs/dbraw/zinc/25/00/39/147250039.db2.gz DJIQYGNSSHMGDA-KRWDZBQOSA-N 0 3 322.412 2.453 20 30 DEEDHN C[C@@H](C(=O)Nc1ccnn1CCN(C)C)c1cccc(C#N)c1 ZINC000359502086 147339017 /nfs/dbraw/zinc/33/90/17/147339017.db2.gz UPFGPPZFUQEEJD-CYBMUJFWSA-N 0 3 311.389 2.059 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000370273743 148001488 /nfs/dbraw/zinc/00/14/88/148001488.db2.gz AICWQKWLWYLSEP-IBGZPJMESA-N 0 3 319.408 2.491 20 30 DEEDHN CC(C)OC[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371337102 148089673 /nfs/dbraw/zinc/08/96/73/148089673.db2.gz VGQXZFCFTHCZEV-GOSISDBHSA-N 0 3 300.402 2.433 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110997825 401697229 /nfs/dbraw/zinc/69/72/29/401697229.db2.gz SPNMWZWKLMKYNC-INIZCTEOSA-N 0 3 315.417 2.122 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000111581757 401717757 /nfs/dbraw/zinc/71/77/57/401717757.db2.gz FRNYSXDGYOASQB-MRXNPFEDSA-N 0 3 315.417 2.318 20 30 DEEDHN C=C[C@H](C)NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000128590147 401784301 /nfs/dbraw/zinc/78/43/01/401784301.db2.gz ZMOUOVDABBQQTA-KKUMJFAQSA-N 0 3 309.454 2.092 20 30 DEEDHN CCCN(CCCOc1cccc(C#N)c1)CC(=O)N(C)C ZINC000128947367 401796595 /nfs/dbraw/zinc/79/65/95/401796595.db2.gz SGMCFFOYZOQFRK-UHFFFAOYSA-N 0 3 303.406 2.127 20 30 DEEDHN COCCCN(C)CCNc1nc(C(F)(F)F)ccc1C#N ZINC000078372717 401848779 /nfs/dbraw/zinc/84/87/79/401848779.db2.gz UTWGVOYDVKWAHW-UHFFFAOYSA-N 0 3 316.327 2.352 20 30 DEEDHN C=CCOc1cccc(CN2CCN(CC(C)(C)O)CC2)c1 ZINC000129966672 401813797 /nfs/dbraw/zinc/81/37/97/401813797.db2.gz YTNUIYFNOAMCMB-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN CN(CCOCC1CC1)CCC(=O)Nc1cccc(C#N)c1 ZINC000088558590 401933342 /nfs/dbraw/zinc/93/33/42/401933342.db2.gz MSKRAWVFRMMBJU-UHFFFAOYSA-N 0 3 301.390 2.245 20 30 DEEDHN COCCCN(C)CCNC(=O)c1cccc(SCC#N)c1 ZINC000079546463 401875569 /nfs/dbraw/zinc/87/55/69/401875569.db2.gz IPEQQQFHCNBGFE-UHFFFAOYSA-N 0 3 321.446 2.000 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](C)Oc2ccccc2F)CC1 ZINC000080751933 401892341 /nfs/dbraw/zinc/89/23/41/401892341.db2.gz ZGRUZZMRRQVCNX-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2sccc2C#N)C[C@@H](C)O1 ZINC000083025306 401899904 /nfs/dbraw/zinc/89/99/04/401899904.db2.gz BUQFDHMPJANEIT-CHWSQXEVSA-N 0 3 321.446 2.239 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000045769115 401962047 /nfs/dbraw/zinc/96/20/47/401962047.db2.gz OGNDSBAOJSVIJY-MRXNPFEDSA-N 0 3 305.466 2.136 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CC[C@@H](N3CCCC3)C2)s1 ZINC000136251672 401964217 /nfs/dbraw/zinc/96/42/17/401964217.db2.gz QWTDVVKRFWQEEN-GFCCVEGCSA-N 0 3 306.435 2.051 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC1CCOCC1 ZINC000120410760 401989533 /nfs/dbraw/zinc/98/95/33/401989533.db2.gz PQDQVDGONJMFIQ-PBHICJAKSA-N 0 3 309.454 2.178 20 30 DEEDHN N#Cc1cccc(OC2CCN(CC[C@@H]3CCOC3=O)CC2)c1 ZINC000120453990 401990429 /nfs/dbraw/zinc/99/04/29/401990429.db2.gz ALELEMVBOAOXDA-OAHLLOKOSA-N 0 3 314.385 2.355 20 30 DEEDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cccc(C#N)c1 ZINC000119392599 401946694 /nfs/dbraw/zinc/94/66/94/401946694.db2.gz MATWVJWQZXZDMY-UHFFFAOYSA-N 0 3 323.462 2.301 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000121564466 402044521 /nfs/dbraw/zinc/04/45/21/402044521.db2.gz ADTHVINHQZZGLW-HNNXBMFYSA-N 0 3 311.389 2.071 20 30 DEEDHN CCOC(=O)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055173426 402077304 /nfs/dbraw/zinc/07/73/04/402077304.db2.gz IPNKRKULEONQNF-UHFFFAOYSA-N 0 3 315.417 2.019 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@]1(C)CCOC1)C(C)C ZINC000122873593 402099246 /nfs/dbraw/zinc/09/92/46/402099246.db2.gz IITGGGMPEFIYES-DOTOQJQBSA-N 0 3 309.454 2.163 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000054396810 402067112 /nfs/dbraw/zinc/06/71/12/402067112.db2.gz XPCXMOARAMSFIM-OAHLLOKOSA-N 0 3 303.406 2.375 20 30 DEEDHN C[C@@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000065480196 402125295 /nfs/dbraw/zinc/12/52/95/402125295.db2.gz WDHNCIJKNPMSNH-HNNXBMFYSA-N 0 3 314.433 2.478 20 30 DEEDHN COCCOC[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154051674 402189281 /nfs/dbraw/zinc/18/92/81/402189281.db2.gz ICBIBDQNRNSUJP-OAHLLOKOSA-N 0 3 304.390 2.052 20 30 DEEDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)CCCCC#N ZINC000125132170 402214977 /nfs/dbraw/zinc/21/49/77/402214977.db2.gz KJPUMSIAVNTIEX-HNNXBMFYSA-N 0 3 315.483 2.110 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000068919624 402209015 /nfs/dbraw/zinc/20/90/15/402209015.db2.gz IPBLNPOJFOSWLG-UHFFFAOYSA-N 0 3 301.777 2.495 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(n2cccn2)CC1 ZINC000109006595 402266616 /nfs/dbraw/zinc/26/66/16/402266616.db2.gz GZSQUTIGKCEYPO-UHFFFAOYSA-N 0 3 323.400 2.420 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000176158547 402285236 /nfs/dbraw/zinc/28/52/36/402285236.db2.gz HCWJPLONHRMHNY-WBVHZDCISA-N 0 3 323.481 2.387 20 30 DEEDHN C=C(C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000156587575 402285315 /nfs/dbraw/zinc/28/53/15/402285315.db2.gz QZKFZPJIUREGGA-HUUCEWRRSA-N 0 3 309.454 2.093 20 30 DEEDHN CN(C)CCn1nnnc1SCC#Cc1cccc(Cl)c1 ZINC000159577575 402325966 /nfs/dbraw/zinc/32/59/66/402325966.db2.gz KZUZYVHXGXMNGQ-UHFFFAOYSA-N 0 3 321.837 2.032 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccncc2C)CC1 ZINC000160881083 402364247 /nfs/dbraw/zinc/36/42/47/402364247.db2.gz ZZKGVXBHEDEUPL-UHFFFAOYSA-N 0 3 316.449 2.272 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185986075 402395165 /nfs/dbraw/zinc/39/51/65/402395165.db2.gz GJTBMMGKEISHKI-YDHLFZDLSA-N 0 3 305.447 2.452 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2C[C@@H](C)NC[C@@H]2C)c(OC)c1 ZINC000237122791 402395941 /nfs/dbraw/zinc/39/59/41/402395941.db2.gz GFAOMRZWCLNCPO-KGLIPLIRSA-N 0 3 318.417 2.011 20 30 DEEDHN CC(C)[C@@H](CCO)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000162004689 402406348 /nfs/dbraw/zinc/40/63/48/402406348.db2.gz QXXLZPLJZUCDAA-SJORKVTESA-N 0 3 315.417 2.050 20 30 DEEDHN C=CCN1CCC(NC(=O)CC2(CC(=O)OC)CCCC2)CC1 ZINC000189254759 402532344 /nfs/dbraw/zinc/53/23/44/402532344.db2.gz IYLWPNORNDPTRH-UHFFFAOYSA-N 0 3 322.449 2.267 20 30 DEEDHN COc1ccc([C@@H](NCCC(=O)N(C)CCC#N)C2CC2)cc1 ZINC000179681539 402598110 /nfs/dbraw/zinc/59/81/10/402598110.db2.gz HMRUGCUOCSQRIN-SFHVURJKSA-N 0 3 315.417 2.498 20 30 DEEDHN C=C(C)CN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000180857122 402628132 /nfs/dbraw/zinc/62/81/32/402628132.db2.gz YOZDIWLHMLRBRV-UHFFFAOYSA-N 0 3 305.422 2.345 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)CC1 ZINC000171721416 402614297 /nfs/dbraw/zinc/61/42/97/402614297.db2.gz GOTKZZWGPWRUET-GQCTYLIASA-N 0 3 312.413 2.401 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2cccc(F)c2)CC1 ZINC000171719579 402614332 /nfs/dbraw/zinc/61/43/32/402614332.db2.gz AAMSJQFWIBZLQY-ZDUSSCGKSA-N 0 3 306.381 2.360 20 30 DEEDHN Cc1cc(C)c(CNCCNC(=O)C2N=CC=CC2=O)cc1C ZINC000172124617 402641664 /nfs/dbraw/zinc/64/16/64/402641664.db2.gz ARSVPLHCJFJPKV-ZCXUNETKSA-N 0 3 313.401 2.228 20 30 DEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C#N)CC1 ZINC000181332252 402641770 /nfs/dbraw/zinc/64/17/70/402641770.db2.gz GAIZNFSPKFSFHW-HNNXBMFYSA-N 0 3 314.433 2.452 20 30 DEEDHN COC(=O)[C@H]1CCN(CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000191810744 402694248 /nfs/dbraw/zinc/69/42/48/402694248.db2.gz CXCKXCFCPVNBBK-YOEHRIQHSA-N 0 3 316.401 2.458 20 30 DEEDHN CCCS(=O)(=O)NC1CCN(CCCC(C)(C)C#N)CC1 ZINC000174819614 402759242 /nfs/dbraw/zinc/75/92/42/402759242.db2.gz PLBBWMNZSAKXPC-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCN(CC)C2CC2)cc1OC ZINC000263744092 402798326 /nfs/dbraw/zinc/79/83/26/402798326.db2.gz OUIIKWCUGVQCNN-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN Cc1ocnc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000263809614 402806948 /nfs/dbraw/zinc/80/69/48/402806948.db2.gz MTPBCINQVHXSHD-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C=CCCC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000263970535 402825982 /nfs/dbraw/zinc/82/59/82/402825982.db2.gz HMXNPFPMTJXNBD-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN C=CC[C@H](C)[C@H](C)[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F ZINC000272161102 402904729 /nfs/dbraw/zinc/90/47/29/402904729.db2.gz VNHIJIIJYQELJJ-GVXVVHGQSA-N 0 3 305.344 2.360 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000278827835 402875675 /nfs/dbraw/zinc/87/56/75/402875675.db2.gz JKFPCSBVQCADIJ-AYBZRNKSSA-N 0 3 316.445 2.483 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(C#N)c1 ZINC000278907501 402884324 /nfs/dbraw/zinc/88/43/24/402884324.db2.gz QKBQVSILGOEYLA-CABCVRRESA-N 0 3 301.365 2.396 20 30 DEEDHN C#CC(C)(C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000264985343 402893621 /nfs/dbraw/zinc/89/36/21/402893621.db2.gz ATSHLSDTXMZBBQ-UHFFFAOYSA-N 0 3 313.445 2.359 20 30 DEEDHN Cc1nc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1C#N ZINC000272126779 402900538 /nfs/dbraw/zinc/90/05/38/402900538.db2.gz AOSVBOARJXALFG-CYBMUJFWSA-N 0 3 300.406 2.064 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272446119 402937908 /nfs/dbraw/zinc/93/79/08/402937908.db2.gz PAAXSXZVBNBQQN-WMLDXEAASA-N 0 3 313.401 2.257 20 30 DEEDHN C=C(C)COc1cc(CN[C@H](CCO)COC)ccc1OC ZINC000265744970 402945233 /nfs/dbraw/zinc/94/52/33/402945233.db2.gz GESHANQVGPVCFS-OAHLLOKOSA-N 0 3 309.406 2.137 20 30 DEEDHN C[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000272577122 402955554 /nfs/dbraw/zinc/95/55/54/402955554.db2.gz PCZWDHWOTBLEGL-FRFSOERESA-N 0 3 313.401 2.211 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2C)C[C@H]1N(C)C ZINC000272599284 402957848 /nfs/dbraw/zinc/95/78/48/402957848.db2.gz PGWCBOGVNYETQZ-HUUCEWRRSA-N 0 3 318.446 2.376 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCCN1C ZINC000272656567 402959185 /nfs/dbraw/zinc/95/91/85/402959185.db2.gz GHHSIAPAGAQNRU-CHWSQXEVSA-N 0 3 302.378 2.193 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000272827720 402960805 /nfs/dbraw/zinc/96/08/05/402960805.db2.gz HAWPSFJJYVHPCC-INIZCTEOSA-N 0 3 310.463 2.394 20 30 DEEDHN Cc1cc(C)c(C#N)c(N2CCN(CC3CCOCC3)CC2)n1 ZINC000265502859 402925018 /nfs/dbraw/zinc/92/50/18/402925018.db2.gz NKEXFKIXURSLNX-UHFFFAOYSA-N 0 3 314.433 2.119 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)C(=O)Nc1cccc(C#N)c1 ZINC000279338306 402932317 /nfs/dbraw/zinc/93/23/17/402932317.db2.gz UNVHFZPSEVYQNB-DUVNUKRYSA-N 0 3 301.390 2.026 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000272405485 402933381 /nfs/dbraw/zinc/93/33/81/402933381.db2.gz KGRKZCKVIXDECJ-XHDPSFHLSA-N 0 3 302.353 2.255 20 30 DEEDHN CN(Cc1nccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280413241 402997287 /nfs/dbraw/zinc/99/72/87/402997287.db2.gz LPBWUJAZDZDYSZ-CQSZACIVSA-N 0 3 310.382 2.356 20 30 DEEDHN CC(C)(C)C[C@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280436159 402999871 /nfs/dbraw/zinc/99/98/71/402999871.db2.gz QKAYTCRKKJDQDV-HOTGVXAUSA-N 0 3 313.401 2.154 20 30 DEEDHN C[C@@H](O)CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280472291 403002770 /nfs/dbraw/zinc/00/27/70/403002770.db2.gz UEOPPAGZWTXXAV-CJNGLKHVSA-N 0 3 313.401 2.154 20 30 DEEDHN Cc1noc(C)c1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280567380 403013546 /nfs/dbraw/zinc/01/35/46/403013546.db2.gz VJKRPPJWJFHQOK-MRXNPFEDSA-N 0 3 322.368 2.204 20 30 DEEDHN C=CCNC(=O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273575610 403016797 /nfs/dbraw/zinc/01/67/97/403016797.db2.gz YXKKUGZMPGNZPF-HZPDHXFCSA-N 0 3 306.381 2.280 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCc1cnccn1)C(C)C ZINC000280615842 403019581 /nfs/dbraw/zinc/01/95/81/403019581.db2.gz VUNDPTLIFCAPFD-KRWDZBQOSA-N 0 3 316.449 2.224 20 30 DEEDHN CN(C)CCOc1cccc(-c2noc(C(C)(C)C#N)n2)c1 ZINC000273950809 403028457 /nfs/dbraw/zinc/02/84/57/403028457.db2.gz SWGJGIAFWIXIPD-UHFFFAOYSA-N 0 3 300.362 2.478 20 30 DEEDHN CC1(C)[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]2CCO[C@H]21 ZINC000280284893 402983782 /nfs/dbraw/zinc/98/37/82/402983782.db2.gz DWBZKHOESRIHJQ-YLFCFFPRSA-N 0 3 323.396 2.170 20 30 DEEDHN COc1cc(CNCCc2cn3c(n2)SCC3)ccc1C#N ZINC000281785918 403091798 /nfs/dbraw/zinc/09/17/98/403091798.db2.gz UAWLZDPAZGYPID-UHFFFAOYSA-N 0 3 314.414 2.201 20 30 DEEDHN C[C@H]1CSCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281090764 403058068 /nfs/dbraw/zinc/05/80/68/403058068.db2.gz BWVRZXZBMTYFDS-CZUORRHYSA-N 0 3 313.426 2.452 20 30 DEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(-n3cccn3)cc2)C1=O ZINC000281149630 403059679 /nfs/dbraw/zinc/05/96/79/403059679.db2.gz JVUVTBZPRCJECD-PBHICJAKSA-N 0 3 310.401 2.310 20 30 DEEDHN C=CCN1CC[C@H](NC2(c3ccc(F)cc3)CCOCC2)C1=O ZINC000281149013 403059924 /nfs/dbraw/zinc/05/99/24/403059924.db2.gz BGLCAILFIXUCRL-INIZCTEOSA-N 0 3 318.392 2.208 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)CC(=O)OC)C(C)C ZINC000268234142 403064554 /nfs/dbraw/zinc/06/45/54/403064554.db2.gz VIKRXRVYWMLJMR-GJZGRUSLSA-N 0 3 310.438 2.000 20 30 DEEDHN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000281474250 403069568 /nfs/dbraw/zinc/06/95/68/403069568.db2.gz OPUBSCRRVVTYCP-HNNXBMFYSA-N 0 3 317.433 2.200 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000281536688 403070763 /nfs/dbraw/zinc/07/07/63/403070763.db2.gz KFJHPFRNQNOYKV-HOTGVXAUSA-N 0 3 319.368 2.157 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@@H](COCc3ccccc3)C2)C1=O ZINC000282016015 403113809 /nfs/dbraw/zinc/11/38/09/403113809.db2.gz OVTJKQQRUJIKDO-QZTJIDSGSA-N 0 3 314.429 2.312 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000282364085 403146915 /nfs/dbraw/zinc/14/69/15/403146915.db2.gz HVRSGBDRJBKFFR-UHFFFAOYSA-N 0 3 319.336 2.326 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269698641 403158409 /nfs/dbraw/zinc/15/84/09/403158409.db2.gz 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/nfs/dbraw/zinc/32/45/87/286324587.db2.gz FJDIMGXQCIBWKQ-SOUVJXGZSA-N 0 3 309.454 2.450 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000284216108 403254457 /nfs/dbraw/zinc/25/44/57/403254457.db2.gz HBBTYCIDHARXNI-CVEARBPZSA-N 0 3 323.458 2.423 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000285198440 403279406 /nfs/dbraw/zinc/27/94/06/403279406.db2.gz SPEPPRHUEDOOPV-GXTWGEPZSA-N 0 3 306.406 2.435 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(CCOc3ccccc3)C2)nc1 ZINC000292298395 403347671 /nfs/dbraw/zinc/34/76/71/403347671.db2.gz USDORRFYISYFNP-KRWDZBQOSA-N 0 3 309.369 2.485 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H](C)CN1CCOCC1 ZINC000298281382 403349045 /nfs/dbraw/zinc/34/90/45/403349045.db2.gz XEFCDDLOIFVMPC-INIZCTEOSA-N 0 3 304.434 2.404 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CC(=O)OCC)CC1 ZINC000298282267 403349946 /nfs/dbraw/zinc/34/99/46/403349946.db2.gz DBFCABOGFFUGQH-HNNXBMFYSA-N 0 3 322.449 2.241 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@H]1C(=O)OC)C(C)C ZINC000285471413 403304602 /nfs/dbraw/zinc/30/46/02/403304602.db2.gz HLWDBGVSAGDWJY-ARFHVFGLSA-N 0 3 322.449 2.000 20 30 DEEDHN Cc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc(C#N)n1 ZINC000342726019 403323984 /nfs/dbraw/zinc/32/39/84/403323984.db2.gz LZAPJUKSXOCYJK-MOPGFXCFSA-N 0 3 322.412 2.309 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCC(C)CC1 ZINC000345453424 403340454 /nfs/dbraw/zinc/34/04/54/403340454.db2.gz PAUMTRJEFIOORJ-AWEZNQCLSA-N 0 3 310.417 2.144 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1C#N ZINC000298481008 403392532 /nfs/dbraw/zinc/39/25/32/403392532.db2.gz DOOSRASYFSOBHO-CHWSQXEVSA-N 0 3 300.406 2.112 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1C#N ZINC000298481010 403392588 /nfs/dbraw/zinc/39/25/88/403392588.db2.gz DOOSRASYFSOBHO-OLZOCXBDSA-N 0 3 300.406 2.112 20 30 DEEDHN CC(C)C(=O)NC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000298562903 403415257 /nfs/dbraw/zinc/41/52/57/403415257.db2.gz 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/nfs/dbraw/zinc/59/00/81/403590081.db2.gz MYSYMQZRHXEYHX-UHFFFAOYSA-N 0 3 321.856 2.353 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2ccc(F)cc2nc1C ZINC000293912670 403597631 /nfs/dbraw/zinc/59/76/31/403597631.db2.gz GDCOHIXIRQKUTK-UHFFFAOYSA-N 0 3 313.376 2.367 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOc1ccc(F)cc1 ZINC000293851046 403580921 /nfs/dbraw/zinc/58/09/21/403580921.db2.gz ANHGEIXRIHBQEB-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN CCCc1cc(NCCn2cnc(C#N)n2)c2ccccc2n1 ZINC000343521464 403621047 /nfs/dbraw/zinc/62/10/47/403621047.db2.gz QBTZPIKHQXBAHP-UHFFFAOYSA-N 0 3 306.373 2.184 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000347109513 403616774 /nfs/dbraw/zinc/61/67/74/403616774.db2.gz PRQOTMACLFWMDR-GHMZBOCLSA-N 0 3 322.206 2.304 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cccc2ccc(OC)cc21 ZINC000294022298 403626344 /nfs/dbraw/zinc/62/63/44/403626344.db2.gz QOPWBJVQIUVBCD-UHFFFAOYSA-N 0 3 324.424 2.462 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCc1ncc[nH]1)C(C)C ZINC000287647352 403642419 /nfs/dbraw/zinc/64/24/19/403642419.db2.gz QZNXEJPWHHXYCL-HNNXBMFYSA-N 0 3 304.438 2.157 20 30 DEEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000343724802 403708594 /nfs/dbraw/zinc/70/85/94/403708594.db2.gz ZAYJGYHALFDTBL-CYBMUJFWSA-N 0 3 309.435 2.141 20 30 DEEDHN N#Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301742119 403672171 /nfs/dbraw/zinc/67/21/71/403672171.db2.gz YKHXKSNJAZSVFR-CQSZACIVSA-N 0 3 316.361 2.132 20 30 DEEDHN C#CCNC(=O)CCN(CCc1ccccc1)Cc1cccnc1 ZINC000294216082 403675300 /nfs/dbraw/zinc/67/53/00/403675300.db2.gz SCHUOMYXBNKJRU-UHFFFAOYSA-N 0 3 321.424 2.266 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347381916 403687312 /nfs/dbraw/zinc/68/73/12/403687312.db2.gz XJZVJBIRPMGNTL-OAHLLOKOSA-N 0 3 315.417 2.393 20 30 DEEDHN N#Cc1cccnc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301870808 403694495 /nfs/dbraw/zinc/69/44/95/403694495.db2.gz JXXKEULORSLFBC-IRXDYDNUSA-N 0 3 308.385 2.001 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1 ZINC000288083340 403721281 /nfs/dbraw/zinc/72/12/81/403721281.db2.gz HMGGUEYUFGTZJW-ZBFHGGJFSA-N 0 3 300.406 2.252 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccc(C#N)cc1 ZINC000343796203 403737871 /nfs/dbraw/zinc/73/78/71/403737871.db2.gz JZBJLCXWYBJLKG-HEHGZKQESA-N 0 3 300.406 2.401 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000343815196 403744176 /nfs/dbraw/zinc/74/41/76/403744176.db2.gz XTVXOPUITNPSHP-HZPDHXFCSA-N 0 3 311.470 2.123 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000333409190 403745880 /nfs/dbraw/zinc/74/58/80/403745880.db2.gz PIRJMCFNOKPFDO-ARFHVFGLSA-N 0 3 304.438 2.339 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](CO)C[C@@H]1C ZINC000289083094 403827860 /nfs/dbraw/zinc/82/78/60/403827860.db2.gz SXWIWAVNTBXVNS-ZFWWWQNUSA-N 0 3 304.390 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(F)cc(F)c1 ZINC000411636667 403919875 /nfs/dbraw/zinc/91/98/75/403919875.db2.gz DSYAWXLSWFWKIN-UHFFFAOYSA-N 0 3 311.376 2.343 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H]1CCc2ccccc2NC1=O ZINC000411650278 403924291 /nfs/dbraw/zinc/92/42/91/403924291.db2.gz SSZFSZMYZDXSJR-KRWDZBQOSA-N 0 3 301.434 2.380 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCOC1 ZINC000347886679 403931620 /nfs/dbraw/zinc/93/16/20/403931620.db2.gz KGAVPRJWCPBSLR-AWEZNQCLSA-N 0 3 322.478 2.374 20 30 DEEDHN C=C[C@H](C)NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362380065 403950401 /nfs/dbraw/zinc/95/04/01/403950401.db2.gz OOJZZEKXVLZFLU-AWEZNQCLSA-N 0 3 305.422 2.043 20 30 DEEDHN C#C[C@H](NCc1ccccc1OCC(=O)NCC1CC1)C(C)C ZINC000289523521 403983274 /nfs/dbraw/zinc/98/32/74/403983274.db2.gz POGSGMUPNXKKDT-KRWDZBQOSA-N 0 3 314.429 2.339 20 30 DEEDHN CCOC[C@H]1CCCCN1C[C@H](O)COc1ccccc1C#N ZINC000313449778 403986548 /nfs/dbraw/zinc/98/65/48/403986548.db2.gz XTEYMDIIFZABAK-SJORKVTESA-N 0 3 318.417 2.189 20 30 DEEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289600455 403987934 /nfs/dbraw/zinc/98/79/34/403987934.db2.gz CPYRDQLPUMWRER-OCCSQVGLSA-N 0 3 310.825 2.214 20 30 DEEDHN C=C[C@H](CO)N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289600456 403988326 /nfs/dbraw/zinc/98/83/26/403988326.db2.gz CPYRDQLPUMWRER-TZMCWYRMSA-N 0 3 310.825 2.214 20 30 DEEDHN Cc1c[nH]cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000344238429 404000302 /nfs/dbraw/zinc/00/03/02/404000302.db2.gz JIQVJSZQPSTVFA-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000290089702 404035956 /nfs/dbraw/zinc/03/59/56/404035956.db2.gz KPKMTIVUKMAUQR-SFHVURJKSA-N 0 3 304.434 2.424 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1F ZINC000411969591 404036167 /nfs/dbraw/zinc/03/61/67/404036167.db2.gz BPZQSKCKXZEHIJ-DLBZAZTESA-N 0 3 323.371 2.398 20 30 DEEDHN CN(C[C@H]1CCN(C)[C@@H]1c1cccnc1)C(=O)c1ccc(C#N)o1 ZINC000348086376 404036607 /nfs/dbraw/zinc/03/66/07/404036607.db2.gz YZFYQIXDPPDZII-RHSMWYFYSA-N 0 3 324.384 2.311 20 30 DEEDHN NC(=O)[C@]1(c2ccccc2)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000411972369 404038596 /nfs/dbraw/zinc/03/85/96/404038596.db2.gz VTBMSCLMDPLMOA-HXUWFJFHSA-N 0 3 322.383 2.306 20 30 DEEDHN CC[C@@H](C)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000295990277 404042197 /nfs/dbraw/zinc/04/21/97/404042197.db2.gz JTNBWEIYSURTDC-OAHLLOKOSA-N 0 3 314.433 2.303 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348395512 404066434 /nfs/dbraw/zinc/06/64/34/404066434.db2.gz HTJBQHMMWOXXJP-IXDOHACOSA-N 0 3 311.385 2.172 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2CC(C3CCC3)C2)cc1 ZINC000348978211 404115464 /nfs/dbraw/zinc/11/54/64/404115464.db2.gz WISHHAXIARBUQY-KRWDZBQOSA-N 0 3 300.402 2.224 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328761786 404145698 /nfs/dbraw/zinc/14/56/98/404145698.db2.gz YOOZFECVVFFTOY-ZIAGYGMSSA-N 0 3 322.453 2.264 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328761132 404146644 /nfs/dbraw/zinc/14/66/44/404146644.db2.gz YAZKBTXVIZMVLJ-KGLIPLIRSA-N 0 3 322.453 2.406 20 30 DEEDHN CN(CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21)C1CC1 ZINC000341849210 404211678 /nfs/dbraw/zinc/21/16/78/404211678.db2.gz UYSOWWKILVUFOT-UHFFFAOYSA-N 0 3 320.318 2.452 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H](O)[C@@H]2CCOC2)ccc1OC ZINC000344479501 404168840 /nfs/dbraw/zinc/16/88/40/404168840.db2.gz KZBQKPPSRCBPJT-HZPDHXFCSA-N 0 3 321.417 2.137 20 30 DEEDHN N#Cc1cnccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000344480919 404169856 /nfs/dbraw/zinc/16/98/56/404169856.db2.gz ZQRUKZBGHICJGV-INIZCTEOSA-N 0 3 320.396 2.226 20 30 DEEDHN Cn1nccc1[C@@H]1OCC[C@H]1CNCC(=O)NC1CCCCC1 ZINC000328932256 404177008 /nfs/dbraw/zinc/17/70/08/404177008.db2.gz DHROCJNZXREZHT-SUMWQHHRSA-N 0 3 320.437 2.377 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccncc2CC)CC1 ZINC000352159658 404184420 /nfs/dbraw/zinc/18/44/20/404184420.db2.gz AEXWFUGJFGVIRR-UHFFFAOYSA-N 0 3 302.422 2.094 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000329014441 404201761 /nfs/dbraw/zinc/20/17/61/404201761.db2.gz JKGNDRFUMSQKSW-RBSFLKMASA-N 0 3 320.437 2.329 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)C1CC(OC)C1 ZINC000352201804 404210132 /nfs/dbraw/zinc/21/01/32/404210132.db2.gz HCZWNQPVTGOEAP-CGZBRXJRSA-N 0 3 305.418 2.264 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](O)[C@H](C)c2ccc(C)cc2)CC1 ZINC000344594607 404248564 /nfs/dbraw/zinc/24/85/64/404248564.db2.gz NQCQMOOBRKKVLE-CRAIPNDOSA-N 0 3 316.445 2.226 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC000329175901 404254243 /nfs/dbraw/zinc/25/42/43/404254243.db2.gz BRLZRYWLRXDLFU-AWEZNQCLSA-N 0 3 315.421 2.456 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000352269892 404258274 /nfs/dbraw/zinc/25/82/74/404258274.db2.gz ZUIOQYDAGQLUEM-MRXNPFEDSA-N 0 3 322.836 2.183 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC(C)(C)C#N ZINC000355193144 404273199 /nfs/dbraw/zinc/27/31/99/404273199.db2.gz MOJGVASCPDBBIK-ZBFHGGJFSA-N 0 3 314.433 2.356 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000329254384 404279996 /nfs/dbraw/zinc/27/99/96/404279996.db2.gz WUZGJXSRJXVYIC-XBFCOCLRSA-N 0 3 309.454 2.319 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2noc3c2CCCC3)CCN1C ZINC000329271807 404284897 /nfs/dbraw/zinc/28/48/97/404284897.db2.gz IGINHYWTKYLJCQ-NEPJUHHUSA-N 0 3 306.410 2.040 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329279264 404287280 /nfs/dbraw/zinc/28/72/80/404287280.db2.gz LOODGQNMEWDYHM-HIFRSBDPSA-N 0 3 303.410 2.087 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)Cc1cccnc1 ZINC000355411393 404331552 /nfs/dbraw/zinc/33/15/52/404331552.db2.gz SLWQYYWHSUJNKE-GASCZTMLSA-N 0 3 300.406 2.197 20 30 DEEDHN CC(=O)N1CC[C@@H](NCCNC(=O)C2CC2)c2ccccc2C1 ZINC000329460498 404341892 /nfs/dbraw/zinc/34/18/92/404341892.db2.gz SCXOKAVUYJFVBB-QGZVFWFLSA-N 0 3 315.417 2.436 20 30 DEEDHN N#CCCn1cc(CNC[C@H](O)C(F)F)c(-c2ccccc2)n1 ZINC000344750658 404348631 /nfs/dbraw/zinc/34/86/31/404348631.db2.gz COXWSARSLCGOMF-AWEZNQCLSA-N 0 3 320.343 2.179 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1cccc(F)c1F ZINC000296865257 404348739 /nfs/dbraw/zinc/34/87/39/404348739.db2.gz ZLWSIAXKFMCWTM-GFCCVEGCSA-N 0 3 309.360 2.280 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000329484883 404352421 /nfs/dbraw/zinc/35/24/21/404352421.db2.gz SLWBLMSAYGZAGW-HNNXBMFYSA-N 0 3 319.453 2.378 20 30 DEEDHN C[C@@H](C#N)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000352415067 404354410 /nfs/dbraw/zinc/35/44/10/404354410.db2.gz WETUBKIAXXYVSD-AWEZNQCLSA-N 0 3 321.446 2.004 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000296880094 404355709 /nfs/dbraw/zinc/35/57/09/404355709.db2.gz NEIBUYMLHQIZFW-SFHVURJKSA-N 0 3 313.401 2.258 20 30 DEEDHN CC(C#N)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000352419059 404357757 /nfs/dbraw/zinc/35/77/57/404357757.db2.gz KYMFVQIDVMSFRC-WFASDCNBSA-N 0 3 316.792 2.209 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000290754760 404297475 /nfs/dbraw/zinc/29/74/75/404297475.db2.gz YWXFWSNPXHUOQR-UHFFFAOYSA-N 0 3 303.410 2.069 20 30 DEEDHN CN(C)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)cc1 ZINC000290754223 404297521 /nfs/dbraw/zinc/29/75/21/404297521.db2.gz ZOQDVJWOJAISRS-OAHLLOKOSA-N 0 3 300.337 2.058 20 30 DEEDHN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329363006 404313394 /nfs/dbraw/zinc/31/33/94/404313394.db2.gz ZGATVJVPGJOZRP-UKRRQHHQSA-N 0 3 307.438 2.240 20 30 DEEDHN CC(C(=O)NC1CCCCC1)S(=O)(=O)[C@H]1CCCOC1 ZINC000329589972 404385730 /nfs/dbraw/zinc/38/57/30/404385730.db2.gz ZMJZPEFNCLWECL-YPMHNXCESA-N 0 3 303.424 2.258 20 30 DEEDHN C=CCC(C)(C)C(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000356085987 404389323 /nfs/dbraw/zinc/38/93/23/404389323.db2.gz AQIZTTWOKLYODN-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C(=O)OC)c(CC)o2)CC1 ZINC000338538618 404389364 /nfs/dbraw/zinc/38/93/64/404389364.db2.gz ANTXZXJMUWBXOW-UHFFFAOYSA-N 0 3 320.389 2.009 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1(C)C ZINC000329604713 404391002 /nfs/dbraw/zinc/39/10/02/404391002.db2.gz LWDUQLQHQLWBEP-BYCMXARLSA-N 0 3 320.437 2.363 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1(C)C ZINC000329604713 404391016 /nfs/dbraw/zinc/39/10/16/404391016.db2.gz LWDUQLQHQLWBEP-BYCMXARLSA-N 0 3 320.437 2.363 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000352465033 404391028 /nfs/dbraw/zinc/39/10/28/404391028.db2.gz BURFYFHZJRGCKZ-LSDHHAIUSA-N 0 3 312.479 2.007 20 30 DEEDHN C=CCCC1(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000356093310 404391281 /nfs/dbraw/zinc/39/12/81/404391281.db2.gz KJGQHWIMADDHQA-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)CCCc1ccccc1 ZINC000297003317 404408169 /nfs/dbraw/zinc/40/81/69/404408169.db2.gz UFBKJHXJKNHTGE-UHFFFAOYSA-N 0 3 301.434 2.216 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000297022352 404416340 /nfs/dbraw/zinc/41/63/40/404416340.db2.gz VGRSNWYCSSCOAN-UHFFFAOYSA-N 0 3 307.825 2.437 20 30 DEEDHN CO[C@]1(C)C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C1(C)C ZINC000329937016 404500607 /nfs/dbraw/zinc/50/06/07/404500607.db2.gz DMAKBCOFBDMPFT-GDZNZVCISA-N 0 3 320.437 2.153 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCc2c[nH]nc2C1 ZINC000329945505 404502448 /nfs/dbraw/zinc/50/24/48/404502448.db2.gz JCCGZEUYLYGBOB-DOMZBBRYSA-N 0 3 302.422 2.488 20 30 DEEDHN Cn1c2ccc(CNCCOc3ccc(C#N)cc3)cc2oc1=O ZINC000352632988 404504771 /nfs/dbraw/zinc/50/47/71/404504771.db2.gz JKDSSYUMHNNGOG-UHFFFAOYSA-N 0 3 323.352 2.172 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000297230657 404510320 /nfs/dbraw/zinc/51/03/20/404510320.db2.gz WUTCBVCOGQYELX-JCNLHEQBSA-N 0 3 317.408 2.326 20 30 DEEDHN CC[C@@H](NC(=O)NC1CCN(C2CC2)CC1)C1CCOCC1 ZINC000329968418 404511327 /nfs/dbraw/zinc/51/13/27/404511327.db2.gz WAPKYNCFROQOAU-MRXNPFEDSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@H](NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1)C1=CCN(C)CC1 ZINC000329731050 404435477 /nfs/dbraw/zinc/43/54/77/404435477.db2.gz GMCOGHYKIYMTKT-XGWLTEMNSA-N 0 3 307.438 2.098 20 30 DEEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000329743195 404439005 /nfs/dbraw/zinc/43/90/05/404439005.db2.gz XBFJBNGJAPPXAB-CHWSQXEVSA-N 0 3 318.421 2.262 20 30 DEEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000329743195 404439010 /nfs/dbraw/zinc/43/90/10/404439010.db2.gz XBFJBNGJAPPXAB-CHWSQXEVSA-N 0 3 318.421 2.262 20 30 DEEDHN C[C@H](Cn1cccn1)NC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329744294 404439199 /nfs/dbraw/zinc/43/91/99/404439199.db2.gz XSMYOPFMMJMTCM-KFWWJZLASA-N 0 3 318.421 2.219 20 30 DEEDHN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329744294 404439201 /nfs/dbraw/zinc/43/92/01/404439201.db2.gz XSMYOPFMMJMTCM-KFWWJZLASA-N 0 3 318.421 2.219 20 30 DEEDHN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000329810524 404457902 /nfs/dbraw/zinc/45/79/02/404457902.db2.gz BOLZIPOIORXAGJ-OFQRWUPVSA-N 0 3 321.465 2.464 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291936122 404589233 /nfs/dbraw/zinc/58/92/33/404589233.db2.gz TVUVBHYSJXEOKB-MRXNPFEDSA-N 0 3 309.373 2.030 20 30 DEEDHN COc1ccc(COC[C@@H](O)CN2CCC(C)(C#N)CC2)cc1 ZINC000356450931 404531419 /nfs/dbraw/zinc/53/14/19/404531419.db2.gz ZHROVEMEMSWMSV-INIZCTEOSA-N 0 3 318.417 2.198 20 30 DEEDHN CC(C(=O)N[C@@H]1C=CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330075072 404544431 /nfs/dbraw/zinc/54/44/31/404544431.db2.gz LOJNVOLQLAUULL-VXGBXAGGSA-N 0 3 301.408 2.034 20 30 DEEDHN CC(C)(CNC(=O)[C@H]1CCCCS1(=O)=O)CN1CCCC1 ZINC000330145108 404565052 /nfs/dbraw/zinc/56/50/52/404565052.db2.gz HEJNMSIZFVKEHX-CYBMUJFWSA-N 0 3 316.467 2.032 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1 ZINC000330145027 404565407 /nfs/dbraw/zinc/56/54/07/404565407.db2.gz KYZOGEQOPQFOPM-XJKSGUPXSA-N 0 3 307.438 2.217 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000356530536 404575284 /nfs/dbraw/zinc/57/52/84/404575284.db2.gz QGKNCCGTUFWGSD-LSDHHAIUSA-N 0 3 322.449 2.075 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N(CCC#N)CC2CC2)cc1 ZINC000351567954 404647946 /nfs/dbraw/zinc/64/79/46/404647946.db2.gz LVQDNVBMKXCEQX-UHFFFAOYSA-N 0 3 321.446 2.063 20 30 DEEDHN CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc(C#N)o2)cn1 ZINC000414504756 404661439 /nfs/dbraw/zinc/66/14/39/404661439.db2.gz KSZLHNGEDKKIMH-BLLLJJGKSA-N 0 3 300.362 2.235 20 30 DEEDHN CC(C)OC[C@H](C)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000373871590 404622183 /nfs/dbraw/zinc/62/21/83/404622183.db2.gz DGQCPUSNRDQAEY-WMLDXEAASA-N 0 3 315.417 2.062 20 30 DEEDHN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N1CCC[C@@H](C)C1 ZINC000330316847 404625507 /nfs/dbraw/zinc/62/55/07/404625507.db2.gz ZQRSNPWJOAPDLW-OLZOCXBDSA-N 0 3 306.410 2.091 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H]2CCO[C@H]2C2CC2)c(C#N)c1C ZINC000365346210 404626894 /nfs/dbraw/zinc/62/68/94/404626894.db2.gz VGYSNTCMYJAZJU-ZFWWWQNUSA-N 0 3 319.430 2.332 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCO[C@@H]1c1nccn1C ZINC000330337281 404629967 /nfs/dbraw/zinc/62/99/67/404629967.db2.gz TXJKYOXRXJNHEV-FQLMCAECSA-N 0 3 320.437 2.470 20 30 DEEDHN O=C(NCCN1CCCCCC1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330350992 404634018 /nfs/dbraw/zinc/63/40/18/404634018.db2.gz LTAGGCPNHXBODL-CYBMUJFWSA-N 0 3 306.410 2.094 20 30 DEEDHN C=CCc1cc(CN[C@@H](CO)[C@H]2CCCOC2)cc(OC)c1O ZINC000414554086 404678105 /nfs/dbraw/zinc/67/81/05/404678105.db2.gz LHTKWICSQLBYGR-HOTGVXAUSA-N 0 3 321.417 2.006 20 30 DEEDHN N#CC1(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000352892292 404683620 /nfs/dbraw/zinc/68/36/20/404683620.db2.gz JLPNAMYFVWSBDN-LJQANCHMSA-N 0 3 324.472 2.182 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](n2cccn2)C1 ZINC000365837122 404730081 /nfs/dbraw/zinc/73/00/81/404730081.db2.gz HUOAOMGZJKJVAK-OAHLLOKOSA-N 0 3 309.373 2.030 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2CCNC(C)(C)C2)c(OC)c1 ZINC000357324500 404732823 /nfs/dbraw/zinc/73/28/23/404732823.db2.gz ZFEDGCMYWIZSJY-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)nc1 ZINC000357535556 404736807 /nfs/dbraw/zinc/73/68/07/404736807.db2.gz SIWWOIWMWFPMPD-OCCSQVGLSA-N 0 3 300.406 2.035 20 30 DEEDHN C=CC1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000358063178 404752347 /nfs/dbraw/zinc/75/23/47/404752347.db2.gz JKWBDOBSHZBMML-UHFFFAOYSA-N 0 3 300.402 2.274 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Br)cc1)c1ccncn1 ZINC000358041412 404752504 /nfs/dbraw/zinc/75/25/04/404752504.db2.gz AKOWXUFOLVUEQP-LLVKDONJSA-N 0 3 317.146 2.485 20 30 DEEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000414713907 404714938 /nfs/dbraw/zinc/71/49/38/404714938.db2.gz PHNZXIUALDCDOS-RNCFNFMXSA-N 0 3 322.796 2.446 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359912867 404809420 /nfs/dbraw/zinc/80/94/20/404809420.db2.gz PMPNSSUZSYXRLD-ZDUSSCGKSA-N 0 3 312.285 2.244 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccco1 ZINC000353355781 404811352 /nfs/dbraw/zinc/81/13/52/404811352.db2.gz UGPDTCHXWHSKRS-FZMZJTMJSA-N 0 3 300.362 2.339 20 30 DEEDHN C=CCN(C[C@H](C)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000360018642 404812408 /nfs/dbraw/zinc/81/24/08/404812408.db2.gz VOSYRBNHWLHNRR-KBPBESRZSA-N 0 3 301.394 2.246 20 30 DEEDHN C=CCC[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1 ZINC000358724182 404773271 /nfs/dbraw/zinc/77/32/71/404773271.db2.gz QJRYDYSRMWHRNQ-AEFFLSMTSA-N 0 3 317.433 2.060 20 30 DEEDHN C=C[C@@H](CO)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000358765651 404774998 /nfs/dbraw/zinc/77/49/98/404774998.db2.gz FTKGFKPCUUEENM-ZBFHGGJFSA-N 0 3 317.433 2.058 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451208969 404902031 /nfs/dbraw/zinc/90/20/31/404902031.db2.gz GEJURKLMYZFINF-HNNXBMFYSA-N 0 3 323.481 2.025 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000366859926 404859630 /nfs/dbraw/zinc/85/96/30/404859630.db2.gz AHGQOFBGKZXBOG-KRWDZBQOSA-N 0 3 322.474 2.394 20 30 DEEDHN C[C@@H](N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)O ZINC000451373274 404972322 /nfs/dbraw/zinc/97/23/22/404972322.db2.gz RPFZCZDKICTBFS-CZUORRHYSA-N 0 3 315.417 2.145 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435347879 404972691 /nfs/dbraw/zinc/97/26/91/404972691.db2.gz PDGDJUMMKQPSTR-DYVFJYSZSA-N 0 3 309.413 2.189 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CO)CCC(C)(C)C)CC1 ZINC000353713941 404935851 /nfs/dbraw/zinc/93/58/51/404935851.db2.gz CZOLCDSZMKRNOZ-HNNXBMFYSA-N 0 3 311.470 2.123 20 30 DEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc2c(c1)OCCO2 ZINC000424107232 405008756 /nfs/dbraw/zinc/00/87/56/405008756.db2.gz YYMCRKBZGWDDIY-UONOGXRCSA-N 0 3 317.389 2.046 20 30 DEEDHN COc1cc(CN(C)C(=O)[C@@H](N)CCCC#N)ccc1SC ZINC000424115864 405011666 /nfs/dbraw/zinc/01/16/66/405011666.db2.gz WKOZQJSGFNHKAQ-ZDUSSCGKSA-N 0 3 321.446 2.397 20 30 DEEDHN CO[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424123244 405014174 /nfs/dbraw/zinc/01/41/74/405014174.db2.gz KPIDSPUORPFXEN-KGLIPLIRSA-N 0 3 309.797 2.165 20 30 DEEDHN COCc1cccc2sc(NC(=O)[C@H](N)CCCC#N)nc21 ZINC000424145905 405021091 /nfs/dbraw/zinc/02/10/91/405021091.db2.gz VSVQQGOUYXQJCK-LLVKDONJSA-N 0 3 318.402 2.402 20 30 DEEDHN C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000379646292 405027443 /nfs/dbraw/zinc/02/74/43/405027443.db2.gz FDOVMRWPUJGKHD-GDBMZVCRSA-N 0 3 307.401 2.235 20 30 DEEDHN CCCOc1ccc2c(c1)CCN(C(=O)[C@@H](N)CCCC#N)C2 ZINC000424175883 405030632 /nfs/dbraw/zinc/03/06/32/405030632.db2.gz RBNXLZFKJZJRBQ-KRWDZBQOSA-N 0 3 315.417 2.381 20 30 DEEDHN CC1(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c2cc(N)ccc2O1 ZINC000424177176 405031111 /nfs/dbraw/zinc/03/11/11/405031111.db2.gz PSARWQNOBRCHFU-UONOGXRCSA-N 0 3 316.405 2.008 20 30 DEEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)n(-c2ccc(F)cc2)n1 ZINC000424070937 404994290 /nfs/dbraw/zinc/99/42/90/404994290.db2.gz AXQHQGCMCLKNPM-AWEZNQCLSA-N 0 3 315.352 2.280 20 30 DEEDHN C=CCOc1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000367461369 405056537 /nfs/dbraw/zinc/05/65/37/405056537.db2.gz WLOOMEAZKCWIBA-OALUTQOASA-N 0 3 316.445 2.282 20 30 DEEDHN C=CCn1cc(CN[C@H](C)CCc2n[nH]c3ccccc23)nn1 ZINC000424300044 405063138 /nfs/dbraw/zinc/06/31/38/405063138.db2.gz WVSWCFCOYUTYGX-CYBMUJFWSA-N 0 3 310.405 2.451 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC000354177667 405084029 /nfs/dbraw/zinc/08/40/29/405084029.db2.gz HXJFPVVEBYDGRU-HOCLYGCPSA-N 0 3 314.433 2.498 20 30 DEEDHN CC(C)(CCC#N)CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000418193129 405116475 /nfs/dbraw/zinc/11/64/75/405116475.db2.gz COJJOCLRQOAEGR-UHFFFAOYSA-N 0 3 300.406 2.419 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ncc(C#N)cc1Cl ZINC000408390755 405195275 /nfs/dbraw/zinc/19/52/75/405195275.db2.gz ZCHAPXCUZADHSP-ZWNOBZJWSA-N 0 3 306.797 2.019 20 30 DEEDHN Cc1cc(NC(=O)N2CCCN(C)CC2)c(C#N)cc1N(C)C ZINC000408409126 405198586 /nfs/dbraw/zinc/19/85/86/405198586.db2.gz UBQGARCEVAUNTF-UHFFFAOYSA-N 0 3 315.421 2.102 20 30 DEEDHN C[C@@H](CN1CCOCC1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000361697481 405203798 /nfs/dbraw/zinc/20/37/98/405203798.db2.gz YDBPXPLILJIJGJ-INIZCTEOSA-N 0 3 311.429 2.368 20 30 DEEDHN CN(C)[C@@H](CNC(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000419413031 405248271 /nfs/dbraw/zinc/24/82/71/405248271.db2.gz KBIQEWBBFNZRTE-HNNXBMFYSA-N 0 3 300.406 2.282 20 30 DEEDHN C=CCOCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000438557330 405250909 /nfs/dbraw/zinc/25/09/09/405250909.db2.gz KJXNSLFWRVUSBZ-UHFFFAOYSA-N 0 3 302.418 2.312 20 30 DEEDHN CC[C@@]1(O)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000425925115 405330838 /nfs/dbraw/zinc/33/08/38/405330838.db2.gz IJFYUQPAKUMTEW-GOSISDBHSA-N 0 3 310.401 2.306 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000442783902 405336362 /nfs/dbraw/zinc/33/63/62/405336362.db2.gz UPVDZDLTTADNPZ-OLMNPRSZSA-N 0 3 317.408 2.481 20 30 DEEDHN C=CC[C@H]1N(CC(=O)N(C)CC(=O)OCC)CCCC1(C)C ZINC000444777618 405342539 /nfs/dbraw/zinc/34/25/39/405342539.db2.gz STCKEIMGDDMPPT-CQSZACIVSA-N 0 3 310.438 2.075 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000425500696 405298647 /nfs/dbraw/zinc/29/86/47/405298647.db2.gz CIBCZYSIDQFJSP-UHFFFAOYSA-N 0 3 301.434 2.295 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000425609245 405306878 /nfs/dbraw/zinc/30/68/78/405306878.db2.gz JXYJQIOYKWJYPJ-BBWFWOEESA-N 0 3 312.417 2.252 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C)cc1Cl ZINC000447162747 405403706 /nfs/dbraw/zinc/40/37/06/405403706.db2.gz LLCTVMVKDGTYNQ-LLVKDONJSA-N 0 3 315.822 2.254 20 30 DEEDHN COc1cccc(C2(NC(=O)C(C)C#N)CCOCC2)c1F ZINC000447273569 405407395 /nfs/dbraw/zinc/40/73/95/405407395.db2.gz IVWGWWPXEYMCSV-NSHDSACASA-N 0 3 306.337 2.116 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN(C)C[C@H]2CCCN2C)c1C ZINC000421001672 405425096 /nfs/dbraw/zinc/42/50/96/405425096.db2.gz LNLPBHDOWLOPKG-MRXNPFEDSA-N 0 3 303.450 2.500 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(OCC)CCCC2)CC1 ZINC000454539050 405360475 /nfs/dbraw/zinc/36/04/75/405360475.db2.gz IRFCGCXLGIOKNE-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000454542800 405360827 /nfs/dbraw/zinc/36/08/27/405360827.db2.gz LMPYKIQDEDIOPO-OAHLLOKOSA-N 0 3 309.454 2.093 20 30 DEEDHN C=C(CNC(=O)Nc1ccnn1CCN(C)C)c1ccccc1 ZINC000455649243 405439356 /nfs/dbraw/zinc/43/93/56/405439356.db2.gz QKNZENWZDNSBQM-UHFFFAOYSA-N 0 3 313.405 2.280 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455773653 405448977 /nfs/dbraw/zinc/44/89/77/405448977.db2.gz BSHRFUSJRWUPHA-YGRLFVJLSA-N 0 3 321.812 2.457 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448837198 405454441 /nfs/dbraw/zinc/45/44/41/405454441.db2.gz RNSOEXXPEVHVQI-UHFFFAOYSA-N 0 3 312.373 2.388 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000448918780 405463932 /nfs/dbraw/zinc/46/39/32/405463932.db2.gz VIMRAHWHWYCFJE-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000492367587 405498894 /nfs/dbraw/zinc/49/88/94/405498894.db2.gz YCMCPOALUCOVON-NKIGNDQYSA-N 0 3 315.442 2.075 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000458616461 405505613 /nfs/dbraw/zinc/50/56/13/405505613.db2.gz JNCZHRQCWFUFED-NVXWUHKLSA-N 0 3 319.449 2.133 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCCn2cc(Br)ccc2=O)C1 ZINC000449378559 405531681 /nfs/dbraw/zinc/53/16/81/405531681.db2.gz REHXGQYQDUFNPR-DGCLKSJQSA-N 0 3 324.222 2.283 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(SCC#N)c1 ZINC000421711169 405606779 /nfs/dbraw/zinc/60/67/79/405606779.db2.gz NWJFPKLNFWMMLE-CQSZACIVSA-N 0 3 303.431 2.468 20 30 DEEDHN C=C(CC)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000456814391 405578355 /nfs/dbraw/zinc/57/83/55/405578355.db2.gz UCUGSMUFWCWNEL-UHFFFAOYSA-N 0 3 301.434 2.281 20 30 DEEDHN COc1ccc(CN(CCO)C2CCSCC2)cc1C#N ZINC000449682070 405689252 /nfs/dbraw/zinc/68/92/52/405689252.db2.gz GMWXMXPBWXHQKH-UHFFFAOYSA-N 0 3 306.431 2.257 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000528730108 405728265 /nfs/dbraw/zinc/72/82/65/405728265.db2.gz VFNYCTQLGUIOHQ-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(C)C#N ZINC000494989466 405794306 /nfs/dbraw/zinc/79/43/06/405794306.db2.gz DXBMZBQWGDYNHA-QWHCGFSZSA-N 0 3 309.410 2.394 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)NCC(C)(C)CC#N ZINC000459256478 405821074 /nfs/dbraw/zinc/82/10/74/405821074.db2.gz ISJGWGYKJQQOHA-UHFFFAOYSA-N 0 3 317.437 2.095 20 30 DEEDHN N#CC[C@@]1(O)CCN(C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000592154859 405880452 /nfs/dbraw/zinc/88/04/52/405880452.db2.gz UWZKVSQRISVLMB-RBUKOAKNSA-N 0 3 310.397 2.094 20 30 DEEDHN CCN(CC)C(=O)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433169476 405886083 /nfs/dbraw/zinc/88/60/83/405886083.db2.gz XJXQNWLAENAJBB-INIZCTEOSA-N 0 3 315.417 2.086 20 30 DEEDHN CC(C)[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000459426354 405898232 /nfs/dbraw/zinc/89/82/32/405898232.db2.gz TVFRIAQSBNUNHI-MRXNPFEDSA-N 0 3 302.378 2.238 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495615745 405925792 /nfs/dbraw/zinc/92/57/92/405925792.db2.gz BWXYFXGUOAWXJE-GDBMZVCRSA-N 0 3 323.437 2.438 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCOCCC#N)CC[C@@H]2C1 ZINC000495594453 405926251 /nfs/dbraw/zinc/92/62/51/405926251.db2.gz MQXDBTSPDKFQDO-HUUCEWRRSA-N 0 3 323.437 2.105 20 30 DEEDHN CCN1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619759406 405931155 /nfs/dbraw/zinc/93/11/55/405931155.db2.gz JJCZZDYZBHVZGZ-UHFFFAOYSA-N 0 3 320.824 2.495 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496009819 405943935 /nfs/dbraw/zinc/94/39/35/405943935.db2.gz JSFDILDXXMAZBN-OLZOCXBDSA-N 0 3 309.410 2.299 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000423679094 405904125 /nfs/dbraw/zinc/90/41/25/405904125.db2.gz SYWBCNHFLPFBOL-MRXNPFEDSA-N 0 3 323.396 2.263 20 30 DEEDHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433304946 405919454 /nfs/dbraw/zinc/91/94/54/405919454.db2.gz OQIQTMCTEZCSCR-LZWOXQAQSA-N 0 3 315.417 2.178 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495589298 405924372 /nfs/dbraw/zinc/92/43/72/405924372.db2.gz OXIAAGHZYGNGKL-MJBXVCDLSA-N 0 3 311.426 2.150 20 30 DEEDHN COc1ccc([C@@H](CO)CNCc2cc(C#N)cs2)cc1 ZINC000459727472 406023307 /nfs/dbraw/zinc/02/33/07/406023307.db2.gz FJFNANTWSPJALP-CQSZACIVSA-N 0 3 302.399 2.494 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)NCCOCCN(C)C ZINC000471639594 406103786 /nfs/dbraw/zinc/10/37/86/406103786.db2.gz ZJYNBLTVHUBXCL-UHFFFAOYSA-N 0 3 311.451 2.024 20 30 DEEDHN C=C(CNS(=O)(=O)CCCN1CCCC1)c1ccccc1 ZINC000632337194 406096777 /nfs/dbraw/zinc/09/67/77/406096777.db2.gz LJVZISHPGAQVMN-UHFFFAOYSA-N 0 3 308.447 2.105 20 30 DEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1cccc(C2CC2)c1 ZINC000564860181 406067236 /nfs/dbraw/zinc/06/72/36/406067236.db2.gz PALVHZJXUGPVAF-KBXCAEBGSA-N 0 3 301.434 2.421 20 30 DEEDHN CN(CCc1ccccn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471875532 406126254 /nfs/dbraw/zinc/12/62/54/406126254.db2.gz VDCNQXWUVVPODY-QGZVFWFLSA-N 0 3 318.380 2.337 20 30 DEEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472904992 406141362 /nfs/dbraw/zinc/14/13/62/406141362.db2.gz YYOPPVDFBLQMFW-KRWDZBQOSA-N 0 3 324.513 2.400 20 30 DEEDHN N#CCCC[C@H]([NH3+])C(=O)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000570087469 406343580 /nfs/dbraw/zinc/34/35/80/406343580.db2.gz WNAPAUJRKDMMOU-NSHDSACASA-N 0 3 318.768 2.085 20 30 DEEDHN CC(C)(CNc1ncncc1C#N)N1CCc2ccccc2C1 ZINC000569098470 292389723 /nfs/dbraw/zinc/38/97/23/292389723.db2.gz GSFJEIZGXOLNNA-UHFFFAOYSA-N 0 3 307.401 2.019 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000489394487 406402480 /nfs/dbraw/zinc/40/24/80/406402480.db2.gz CAFKKAXRUVSPFQ-SJORKVTESA-N 0 3 318.417 2.425 20 30 DEEDHN COCCN(CCOc1cccc(C#N)c1)[C@H]1CCO[C@@H]1C ZINC000489500825 406413200 /nfs/dbraw/zinc/41/32/00/406413200.db2.gz OJYVLTLCMWUVQQ-PBHICJAKSA-N 0 3 304.390 2.063 20 30 DEEDHN CC(C)CC[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571085408 406475694 /nfs/dbraw/zinc/47/56/94/406475694.db2.gz AJRUIMCSCSRHBC-CYBMUJFWSA-N 0 3 309.435 2.141 20 30 DEEDHN N#CCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000570887798 406451222 /nfs/dbraw/zinc/45/12/22/406451222.db2.gz SPSYIOSILTYEQR-INIZCTEOSA-N 0 3 304.438 2.339 20 30 DEEDHN C=CCCCS(=O)(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490437385 406465145 /nfs/dbraw/zinc/46/51/45/406465145.db2.gz IJIDGQPHPUZYHT-AWEZNQCLSA-N 0 3 300.468 2.089 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C12CCCC2 ZINC000571611655 406541811 /nfs/dbraw/zinc/54/18/11/406541811.db2.gz WBEQRTAMUFMFSR-QLFBSQMISA-N 0 3 319.449 2.265 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)cc1 ZINC000491297764 406563307 /nfs/dbraw/zinc/56/33/07/406563307.db2.gz RZDWVLRKXDPLMU-VMGRFDJRSA-N 0 3 315.392 2.424 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000491308679 406565320 /nfs/dbraw/zinc/56/53/20/406565320.db2.gz VYITYVBLYPXLMA-CVEARBPZSA-N 0 3 315.417 2.377 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000491451459 406596308 /nfs/dbraw/zinc/59/63/08/406596308.db2.gz GKEOGOQOGCTSCG-KRWDZBQOSA-N 0 3 313.445 2.069 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000491404695 406585811 /nfs/dbraw/zinc/58/58/11/406585811.db2.gz DLBBAUUXVVAWHN-CQSZACIVSA-N 0 3 315.408 2.456 20 30 DEEDHN C#CCNC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000491417558 406588488 /nfs/dbraw/zinc/58/84/88/406588488.db2.gz NWVNIPRRQWQTBC-UHFFFAOYSA-N 0 3 301.434 2.312 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccnc2ccccc12 ZINC000491703264 406678325 /nfs/dbraw/zinc/67/83/25/406678325.db2.gz SGOZRQCXAPVNGH-MDZDMXLPSA-N 0 3 307.397 2.319 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000491712592 406682870 /nfs/dbraw/zinc/68/28/70/406682870.db2.gz YTCGUAYRBWWQOP-CQSZACIVSA-N 0 3 306.793 2.283 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000491742528 406697104 /nfs/dbraw/zinc/69/71/04/406697104.db2.gz QKSIKCACQUMCPR-OCCSQVGLSA-N 0 3 310.319 2.290 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000491631897 406641545 /nfs/dbraw/zinc/64/15/45/406641545.db2.gz RVQVPVASNKHMNU-OAHLLOKOSA-N 0 3 304.409 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccn(Cc2ccccc2)c1 ZINC000491753103 406702756 /nfs/dbraw/zinc/70/27/56/406702756.db2.gz YESWYIGCHPJCOI-UHFFFAOYSA-N 0 3 309.413 2.221 20 30 DEEDHN C=CCc1cc(CNC(=O)/C=C\CN(C)C)cc(OC)c1OC ZINC000491894174 406767367 /nfs/dbraw/zinc/76/73/67/406767367.db2.gz RGNPUAZVYLCALM-CLFYSBASSA-N 0 3 318.417 2.166 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(COC)CCCCC2)CC1 ZINC000491761534 406705966 /nfs/dbraw/zinc/70/59/66/406705966.db2.gz WDYBEHRYWDJPNV-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C#C[C@@H](NC(=O)NCC1(SC)CCN(C)CC1)C(C)(C)C ZINC000491789382 406721009 /nfs/dbraw/zinc/72/10/09/406721009.db2.gz ZOJCZKVULFTARQ-CYBMUJFWSA-N 0 3 311.495 2.161 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCc2cccc(F)c2)cc1 ZINC000573397045 406773519 /nfs/dbraw/zinc/77/35/19/406773519.db2.gz VHJQYZWAMGZSCK-QGZVFWFLSA-N 0 3 314.360 2.421 20 30 DEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)CCC(C)(C)C#N ZINC000573727179 406776659 /nfs/dbraw/zinc/77/66/59/406776659.db2.gz ORUATURLHYKMCR-AWEZNQCLSA-N 0 3 315.483 2.062 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC(C)C)cc1 ZINC000574771339 406785711 /nfs/dbraw/zinc/78/57/11/406785711.db2.gz SSXRLEVZWXHEPB-UHFFFAOYSA-N 0 3 315.417 2.437 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc2c(c1)CCC2 ZINC000574723523 406786031 /nfs/dbraw/zinc/78/60/31/406786031.db2.gz ZGQHDWSAAMXAPT-SJORKVTESA-N 0 3 300.402 2.437 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000576935673 406834149 /nfs/dbraw/zinc/83/41/49/406834149.db2.gz MWHNOHPGMBBYKW-OAHLLOKOSA-N 0 3 302.418 2.252 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000641769330 406888322 /nfs/dbraw/zinc/88/83/22/406888322.db2.gz STSMPERVRWRBTK-ZDUSSCGKSA-N 0 3 309.793 2.365 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645515938 407287834 /nfs/dbraw/zinc/28/78/34/407287834.db2.gz ISDPXXJFRJBYRC-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(C#N)cc1 ZINC000338360988 287017976 /nfs/dbraw/zinc/01/79/76/287017976.db2.gz NMCMTHZUMRPWPW-CYBMUJFWSA-N 0 3 306.431 2.424 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001086073674 784385483 /nfs/dbraw/zinc/38/54/83/784385483.db2.gz QCLGIJTYOLZWRR-MELADBBJSA-N 0 3 300.830 2.040 20 30 DEEDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000295817827 225274493 /nfs/dbraw/zinc/27/44/93/225274493.db2.gz BTAKLKNUNIPQBX-YOEHRIQHSA-N 0 3 301.390 2.290 20 30 DEEDHN N#CC1(CCCN2CCC(O)(C(F)F)CC2)CCOCC1 ZINC000330387011 226001457 /nfs/dbraw/zinc/00/14/57/226001457.db2.gz MJTLJWDYBLHBNB-UHFFFAOYSA-N 0 3 302.365 2.179 20 30 DEEDHN COCCN1CC[C@H](NC(=O)NCC2CCC(C)(C)CC2)C1 ZINC000330468456 226009637 /nfs/dbraw/zinc/00/96/37/226009637.db2.gz BEMMJAKVLHRJRC-HNNXBMFYSA-N 0 3 311.470 2.427 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)N2CC[C@@H](CCO)C2)N(C)C)cc1 ZINC000330942501 226045498 /nfs/dbraw/zinc/04/54/98/226045498.db2.gz ZQEQLNSWYDXHNX-RDJZCZTQSA-N 0 3 319.449 2.216 20 30 DEEDHN Cc1cc(CN(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)no1 ZINC000331327906 226081597 /nfs/dbraw/zinc/08/15/97/226081597.db2.gz PTDYQRXMJRREKC-AWEZNQCLSA-N 0 3 308.426 2.449 20 30 DEEDHN N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000331658571 226089487 /nfs/dbraw/zinc/08/94/87/226089487.db2.gz MTILXOGXFZQLCX-GJZGRUSLSA-N 0 3 304.438 2.339 20 30 DEEDHN CN(C)CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000342062784 226237045 /nfs/dbraw/zinc/23/70/45/226237045.db2.gz DXTKPRGDQLDVNI-UHFFFAOYSA-N 0 3 308.385 2.165 20 30 DEEDHN C[C@@]1(CNC(=O)CSCC#N)CCN(Cc2ccccc2)C1 ZINC000370590550 227054976 /nfs/dbraw/zinc/05/49/76/227054976.db2.gz WWMPAMCYQRYKDR-KRWDZBQOSA-N 0 3 317.458 2.272 20 30 DEEDHN CN(C(=O)CN1CC[C@H]([C@H]2CCOC2)C1)C1(C#N)CCCCC1 ZINC000372147847 227085185 /nfs/dbraw/zinc/08/51/85/227085185.db2.gz BASLBTNXEJYSJN-HOTGVXAUSA-N 0 3 319.449 2.030 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291156445 222178885 /nfs/dbraw/zinc/17/88/85/222178885.db2.gz FJBAKAJIVQEQEA-PMACEKPBSA-N 0 3 322.408 2.228 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C(=O)CC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000377754186 227200614 /nfs/dbraw/zinc/20/06/14/227200614.db2.gz PLPZNHVAEWIXRC-HUUCEWRRSA-N 0 3 321.465 2.274 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COCC2CCCC2)C[C@H]1C ZINC001328255958 1148756877 /nfs/dbraw/zinc/75/68/77/1148756877.db2.gz JPRQPOGXJCWOTR-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN CN(C)CCn1nnnc1SCCC1(C#N)CCCCC1 ZINC000412998951 228262304 /nfs/dbraw/zinc/26/23/04/228262304.db2.gz ZRQKTBHIHWUJQM-UHFFFAOYSA-N 0 3 308.455 2.191 20 30 DEEDHN Cc1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nc1C#N ZINC000302638073 230326415 /nfs/dbraw/zinc/32/64/15/230326415.db2.gz KRUPIMWUWLMANF-IRXDYDNUSA-N 0 3 322.412 2.309 20 30 DEEDHN CN1CCC(n2ccc(NC(=O)Nc3cccc(C#N)c3)n2)CC1 ZINC000369661537 424876234 /nfs/dbraw/zinc/87/62/34/424876234.db2.gz CFOUMMCMSYQBDI-UHFFFAOYSA-N 0 3 324.388 2.665 20 30 DEEDHN CCCCN1CCCC[C@H]1CNC(=O)Nc1nnc(C)s1 ZINC000330463445 424910394 /nfs/dbraw/zinc/91/03/94/424910394.db2.gz ZLCOHQBMKMEXHY-LBPRGKRZSA-N 0 3 311.455 2.827 20 30 DEEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1N ZINC000569258936 424922069 /nfs/dbraw/zinc/92/20/69/424922069.db2.gz OCKHTJBEAQBSNN-MRXNPFEDSA-N 0 3 307.401 2.612 20 30 DEEDHN CC1=CCN(CCNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000337008019 424927332 /nfs/dbraw/zinc/92/73/32/424927332.db2.gz CNLDOJQBLGZMPI-UHFFFAOYSA-N 0 3 310.323 3.036 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000649365323 425001200 /nfs/dbraw/zinc/00/12/00/425001200.db2.gz UAQDMJGDAMDFHA-GOSISDBHSA-N 0 3 314.429 2.225 20 30 DEEDHN N#Cc1cnnc(NCC2CCN(Cc3cccs3)CC2)c1 ZINC000596096543 425017429 /nfs/dbraw/zinc/01/74/29/425017429.db2.gz JHVDLGKXRZOVRL-UHFFFAOYSA-N 0 3 313.430 2.734 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](N[C@@H](C)CC)c2ccco2)n1 ZINC000596230963 425022458 /nfs/dbraw/zinc/02/24/58/425022458.db2.gz MEVKQMVALVCKEU-JSGCOSHPSA-N 0 3 313.405 3.045 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCN1CCCCC1 ZINC000651076350 425098137 /nfs/dbraw/zinc/09/81/37/425098137.db2.gz CUPQTVKMYPUGAE-CVEARBPZSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000661115914 425327515 /nfs/dbraw/zinc/32/75/15/425327515.db2.gz VIGKEJUKFPCTRG-DGCLKSJQSA-N 0 3 301.394 2.293 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000661115914 425327518 /nfs/dbraw/zinc/32/75/18/425327518.db2.gz VIGKEJUKFPCTRG-DGCLKSJQSA-N 0 3 301.394 2.293 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)c2ccccn2)CC1 ZINC000664021267 425290318 /nfs/dbraw/zinc/29/03/18/425290318.db2.gz VUADTWSNSWKHNC-CQSZACIVSA-N 0 3 302.422 2.135 20 30 DEEDHN C=CCCn1cc(CN[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000657289196 425294416 /nfs/dbraw/zinc/29/44/16/425294416.db2.gz CRHBFHAHJGOILE-KRWDZBQOSA-N 0 3 311.433 2.218 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](OC3CCC3)C2)CC1 ZINC000654431306 425351958 /nfs/dbraw/zinc/35/19/58/425351958.db2.gz FENPHRHFOBSPQO-KRWDZBQOSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CCN(CCC(=O)N1CCc2ccccc2C1)[C@H](C)COC ZINC000661239634 425358450 /nfs/dbraw/zinc/35/84/50/425358450.db2.gz HVPMUEAVIYQWPG-MRXNPFEDSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCCCCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661360464 425390094 /nfs/dbraw/zinc/39/00/94/425390094.db2.gz YPLIEKIRXDNIQW-MRXNPFEDSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCOCCCNCc1c(Br)c(C)nn1C ZINC000657658868 425382725 /nfs/dbraw/zinc/38/27/25/425382725.db2.gz HVTMBVNTOKMINL-UHFFFAOYSA-N 0 3 302.216 2.173 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)N1CC(C)C1)C(C)C ZINC000654781609 425441873 /nfs/dbraw/zinc/44/18/73/425441873.db2.gz KIGHVHARQPKJNS-IRXDYDNUSA-N 0 3 307.482 2.141 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cncc(O)c1)C(C)C ZINC000655390303 425552118 /nfs/dbraw/zinc/55/21/18/425552118.db2.gz KTYACDZCIQCRGX-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cncc([O-])c1)C(C)C ZINC000655390303 425552123 /nfs/dbraw/zinc/55/21/23/425552123.db2.gz KTYACDZCIQCRGX-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN C=C(C)COc1cc(CNC[C@](C)(CO)OC)ccc1OC ZINC000655809034 425661258 /nfs/dbraw/zinc/66/12/58/425661258.db2.gz OSYWTVPNWDAYLH-QGZVFWFLSA-N 0 3 309.406 2.137 20 30 DEEDHN Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000525919507 268035426 /nfs/dbraw/zinc/03/54/26/268035426.db2.gz FCDSPQGCNQFMOO-GOSISDBHSA-N 0 3 318.380 2.303 20 30 DEEDHN Cc1cnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000527175980 268071720 /nfs/dbraw/zinc/07/17/20/268071720.db2.gz QWPABSMERUCRPI-AWEZNQCLSA-N 0 3 310.382 2.322 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](c2cccnc2)C1 ZINC000528535589 268301770 /nfs/dbraw/zinc/30/17/70/268301770.db2.gz KIDOVYUDWSPLFM-QZTJIDSGSA-N 0 3 323.396 2.182 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1cccc(C#N)c1 ZINC000334047572 269010949 /nfs/dbraw/zinc/01/09/49/269010949.db2.gz HJFASJUQBHIYKW-YOEHRIQHSA-N 0 3 314.433 2.082 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CC1CCS(=O)(=O)CC1 ZINC000425530120 269119049 /nfs/dbraw/zinc/11/90/49/269119049.db2.gz DSAFQIWKIDAQBK-ZDUSSCGKSA-N 0 3 306.431 2.376 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)[C@H]1C ZINC001088922904 782047907 /nfs/dbraw/zinc/04/79/07/782047907.db2.gz IGTGWBKXQDERMM-QAPCUYQASA-N 0 3 322.412 2.088 20 30 DEEDHN COCCCN1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000448878389 274019983 /nfs/dbraw/zinc/01/99/83/274019983.db2.gz PYCGJIPIDGEYCM-GOSISDBHSA-N 0 3 319.449 2.078 20 30 DEEDHN N#CCc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000339770836 274916674 /nfs/dbraw/zinc/91/66/74/274916674.db2.gz AEIQGYWRLAAFIE-ROUUACIJSA-N 0 3 300.402 2.162 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000264309142 276185497 /nfs/dbraw/zinc/18/54/97/276185497.db2.gz GLGRZDXCBAMGIY-BBRMVZONSA-N 0 3 300.406 2.403 20 30 DEEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C)C[C@@H]1C ZINC000349831013 276243046 /nfs/dbraw/zinc/24/30/46/276243046.db2.gz HBLZNCAOBOSCKD-UONOGXRCSA-N 0 3 324.432 2.273 20 30 DEEDHN CN(C(=O)CN[C@@H](C1CC1)C(C)(C)CO)C1(C#N)CCCCC1 ZINC000339731012 276725986 /nfs/dbraw/zinc/72/59/86/276725986.db2.gz MLKQIVBGQVHBSH-INIZCTEOSA-N 0 3 321.465 2.058 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@](C)(OC)C2)CC1 ZINC000471808184 276862060 /nfs/dbraw/zinc/86/20/60/276862060.db2.gz GDDHAXDTZDESFU-KRWDZBQOSA-N 0 3 309.454 2.237 20 30 DEEDHN COCCCN1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000448878390 277494588 /nfs/dbraw/zinc/49/45/88/277494588.db2.gz PYCGJIPIDGEYCM-SFHVURJKSA-N 0 3 319.449 2.078 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000356530533 277770644 /nfs/dbraw/zinc/77/06/44/277770644.db2.gz QGKNCCGTUFWGSD-CABCVRRESA-N 0 3 322.449 2.075 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CCC(O)CC1)C(C)C ZINC000194305410 277850192 /nfs/dbraw/zinc/85/01/92/277850192.db2.gz NWUWOIGXMKYBED-OFLPRAFFSA-N 0 3 308.466 2.352 20 30 DEEDHN C=CC[C@H]1N(C(=O)NCCOCCN(C)C)CCCC1(C)C ZINC000447819076 277890686 /nfs/dbraw/zinc/89/06/86/277890686.db2.gz WQARSNMCEFAYTE-OAHLLOKOSA-N 0 3 311.470 2.341 20 30 DEEDHN COc1cnc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)s1 ZINC000329236707 278072092 /nfs/dbraw/zinc/07/20/92/278072092.db2.gz JQVKWYCKUQMUPK-GHMZBOCLSA-N 0 3 310.423 2.256 20 30 DEEDHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1 ZINC000182342234 278355705 /nfs/dbraw/zinc/35/57/05/278355705.db2.gz ITRSUFNQNFJTRH-CJNGLKHVSA-N 0 3 302.374 2.131 20 30 DEEDHN C[C@H]1CN(c2ccc(C#N)cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000376213674 278441820 /nfs/dbraw/zinc/44/18/20/278441820.db2.gz YRKYOOFWFZIFBM-WMLDXEAASA-N 0 3 316.424 2.160 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328703180 279295890 /nfs/dbraw/zinc/29/58/90/279295890.db2.gz OBKLQSRWXIGKBH-CHWSQXEVSA-N 0 3 308.426 2.016 20 30 DEEDHN Cc1ccsc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000085274411 281610528 /nfs/dbraw/zinc/61/05/28/281610528.db2.gz BSVFWWSXEVCJSJ-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN CC(C#N)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000347102718 289236372 /nfs/dbraw/zinc/23/63/72/289236372.db2.gz HVZYRCIHCHMNEW-CQSZACIVSA-N 0 3 307.438 2.076 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCC(C)(C)CCC#N)C1 ZINC000376994620 290242471 /nfs/dbraw/zinc/24/24/71/290242471.db2.gz PYGZKCSIKLQFQE-CABCVRRESA-N 0 3 306.454 2.442 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329301927 295381363 /nfs/dbraw/zinc/38/13/63/295381363.db2.gz 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ZINC000429726486 338088477 /nfs/dbraw/zinc/08/84/77/338088477.db2.gz UWYYSEIMURJHCN-UHFFFAOYSA-N 0 3 303.450 2.479 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496562310 340007848 /nfs/dbraw/zinc/00/78/48/340007848.db2.gz BPBOLRCVDRNNFI-TZMCWYRMSA-N 0 3 307.394 2.196 20 30 DEEDHN CC(C#N)C(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000496579502 340008171 /nfs/dbraw/zinc/00/81/71/340008171.db2.gz BWCTVBFJSRJYOG-LBPRGKRZSA-N 0 3 309.410 2.299 20 30 DEEDHN COC(=O)N1CCC[C@H]([C@H](C)NCC#Cc2ccccc2)C1 ZINC000496826864 340013994 /nfs/dbraw/zinc/01/39/94/340013994.db2.gz HYUPTARKZAKMBZ-RDJZCZTQSA-N 0 3 300.402 2.495 20 30 DEEDHN CCN1CCN(c2ccc(C(=O)NCCCCC#N)cc2)CC1 ZINC000173134725 340358876 /nfs/dbraw/zinc/35/88/76/340358876.db2.gz WQGZFRXBNQHLIC-UHFFFAOYSA-N 0 3 314.433 2.252 20 30 DEEDHN CCOC(=O)N1CCC([C@H](C)NC[C@H](C#N)CCC#N)CC1 ZINC000187555083 340521053 /nfs/dbraw/zinc/52/10/53/340521053.db2.gz DPZIAMABAJWIPI-KBPBESRZSA-N 0 3 306.410 2.277 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000564217845 340884049 /nfs/dbraw/zinc/88/40/49/340884049.db2.gz WMBYHHMZFJMELL-RHSMWYFYSA-N 0 3 324.852 2.429 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000542593253 341014844 /nfs/dbraw/zinc/01/48/44/341014844.db2.gz IYXLATSPMHVCNR-UHFFFAOYSA-N 0 3 300.402 2.026 20 30 DEEDHN C=CCC[C@H](C)[NH2+]Cc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000544569485 341086195 /nfs/dbraw/zinc/08/61/95/341086195.db2.gz GZNURTOJDILFTK-YVEFUNNKSA-N 0 3 301.390 2.186 20 30 DEEDHN CCC[C@]1(COC)CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000248730268 341385451 /nfs/dbraw/zinc/38/54/51/341385451.db2.gz KEKUPCZONKJVDH-IAGOWNOFSA-N 0 3 309.454 2.322 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248734533 341385546 /nfs/dbraw/zinc/38/55/46/341385546.db2.gz BLZVLRYRPHXMFV-CYGHRXIMSA-N 0 3 319.445 2.389 20 30 DEEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)CN(C)CCC#N ZINC000566792276 341568126 /nfs/dbraw/zinc/56/81/26/341568126.db2.gz PNGLUVQXRKBBCI-HOTGVXAUSA-N 0 3 319.449 2.331 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3ccncc3n2)CC1 ZINC000567703441 341628630 /nfs/dbraw/zinc/62/86/30/341628630.db2.gz UQCWRCQMGVYFFQ-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN N#CCCCNC[C@@H](O)COc1ccc(Br)cc1 ZINC000576817863 341864504 /nfs/dbraw/zinc/86/45/04/341864504.db2.gz UZPIFBXEPOZGKY-GFCCVEGCSA-N 0 3 313.195 2.082 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nccnc3c2)[C@H]1C ZINC001089026917 782122090 /nfs/dbraw/zinc/12/20/90/782122090.db2.gz MEJFRODRGFASMP-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC001357302228 1152283566 /nfs/dbraw/zinc/28/35/66/1152283566.db2.gz IDZDORRDIOTGTO-ZIAGYGMSSA-N 0 3 304.390 2.476 20 30 DEEDHN O=C(C#CC1CC1)NC1(CNCc2ccccn2)CCCCC1 ZINC001329819557 1149000483 /nfs/dbraw/zinc/00/04/83/1149000483.db2.gz ZTMPTIJZGUWAKA-UHFFFAOYSA-N 0 3 311.429 2.404 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CC(OC)C2)CCCC1 ZINC001378355097 1152303927 /nfs/dbraw/zinc/30/39/27/1152303927.db2.gz TUMMQGIQSNNNLY-UHFFFAOYSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2nc(C)c(C)s2)CC1 ZINC001357524648 1152307792 /nfs/dbraw/zinc/30/77/92/1152307792.db2.gz HKDAKKNYBFQCCJ-AWEZNQCLSA-N 0 3 322.478 2.092 20 30 DEEDHN Cc1cc(CN[C@@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)no1 ZINC001378373400 1152308833 /nfs/dbraw/zinc/30/88/33/1152308833.db2.gz QXHWFCXTMZMATQ-DOMZBBRYSA-N 0 3 306.410 2.105 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378746061 1152433645 /nfs/dbraw/zinc/43/36/45/1152433645.db2.gz ZJURQUYIHGEHBW-QWHCGFSZSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN(C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001437521811 1179835288 /nfs/dbraw/zinc/83/52/88/1179835288.db2.gz CKEYAECCXQKELG-AWEZNQCLSA-N 0 3 301.862 2.050 20 30 DEEDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)NCC1(C#N)CCC1 ZINC000418137542 533902027 /nfs/dbraw/zinc/90/20/27/533902027.db2.gz DZNOSLHKFHKDAW-CYBMUJFWSA-N 0 3 311.385 2.345 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001378805170 1152452069 /nfs/dbraw/zinc/45/20/69/1152452069.db2.gz PIWQVQTYKDKZMR-SMDDNHRTSA-N 0 3 309.360 2.382 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)CCCF ZINC001378808276 1152452405 /nfs/dbraw/zinc/45/24/05/1152452405.db2.gz VZWMXDSGVCDDCK-GFCCVEGCSA-N 0 3 309.360 2.384 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001378860322 1152470851 /nfs/dbraw/zinc/47/08/51/1152470851.db2.gz FBBWPIMJFWCGKW-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN CC(C#N)C(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000357998432 534284176 /nfs/dbraw/zinc/28/41/76/534284176.db2.gz BSXVHYUPVVRWCK-YGRLFVJLSA-N 0 3 302.765 2.439 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC001378876815 1152475785 /nfs/dbraw/zinc/47/57/85/1152475785.db2.gz SISYBOMOHQGQOY-STQMWFEESA-N 0 3 323.462 2.275 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000451606254 534607220 /nfs/dbraw/zinc/60/72/20/534607220.db2.gz 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/nfs/dbraw/zinc/44/00/36/526440036.db2.gz IUMCIAKWOJMQGO-HNNXBMFYSA-N 0 3 319.380 2.209 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)OCCc2ccccc2)CC1 ZINC000294443807 526444601 /nfs/dbraw/zinc/44/46/01/526444601.db2.gz BCHFJRZQKIXXPV-INIZCTEOSA-N 0 3 316.445 2.401 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C2CCCC2)C1 ZINC000364876150 526578449 /nfs/dbraw/zinc/57/84/49/526578449.db2.gz GUEGKWIFSJYOQW-LBPRGKRZSA-N 0 3 301.350 2.290 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)CCC(C)C)CC1 ZINC000339524982 526578643 /nfs/dbraw/zinc/57/86/43/526578643.db2.gz PBWINVDGYMAVOL-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192746725 526636367 /nfs/dbraw/zinc/63/63/67/526636367.db2.gz IPCHMSJMFRYUOO-YQQAZPJKSA-N 0 3 302.418 2.435 20 30 DEEDHN C=C(C)COc1cc(CN[C@H](CO)[C@H]2CCCO2)ccc1OC ZINC000447966945 526662713 /nfs/dbraw/zinc/66/27/13/526662713.db2.gz LTGJYYDYDZGLCL-HZPDHXFCSA-N 0 3 321.417 2.280 20 30 DEEDHN C=C(C)CS(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000192007903 526684763 /nfs/dbraw/zinc/68/47/63/526684763.db2.gz JSBBRZFZKPUIMX-UHFFFAOYSA-N 0 3 308.447 2.278 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000332546859 526774257 /nfs/dbraw/zinc/77/42/57/526774257.db2.gz CIETZUNIODCZEK-ZACQAIPSSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000297594832 526791045 /nfs/dbraw/zinc/79/10/45/526791045.db2.gz VLYKBPLYXMJQBF-HNNXBMFYSA-N 0 3 305.447 2.286 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccccc1OCC=C ZINC000296666546 526816965 /nfs/dbraw/zinc/81/69/65/526816965.db2.gz OZWPEMRHGCSYCU-UHFFFAOYSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCN(C)CCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000294992690 526826952 /nfs/dbraw/zinc/82/69/52/526826952.db2.gz LMDAXLWRYXFKTK-QGZVFWFLSA-N 0 3 302.418 2.454 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000340596634 526843188 /nfs/dbraw/zinc/84/31/88/526843188.db2.gz SOPYNNQHCOVZNX-JKSUJKDBSA-N 0 3 320.458 2.369 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000294703803 526855562 /nfs/dbraw/zinc/85/55/62/526855562.db2.gz VKQYTVPJZVUPLQ-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ncoc2-c2ccccc2)CC1 ZINC000371184359 526927819 /nfs/dbraw/zinc/92/78/19/526927819.db2.gz IXYLGSZQFSJKIV-UHFFFAOYSA-N 0 3 323.396 2.303 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417593929 526940889 /nfs/dbraw/zinc/94/08/89/526940889.db2.gz HZDFECWMKDQQOM-UONOGXRCSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000294387870 526992309 /nfs/dbraw/zinc/99/23/09/526992309.db2.gz WZLMKXPEDKBDDN-QGZVFWFLSA-N 0 3 316.445 2.124 20 30 DEEDHN C=CC[C@@H](C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464664 527026410 /nfs/dbraw/zinc/02/64/10/527026410.db2.gz ZPDRXKINHQTASB-RHSMWYFYSA-N 0 3 317.433 2.017 20 30 DEEDHN C=CC[C@H](CO)CN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000353005155 527189232 /nfs/dbraw/zinc/18/92/32/527189232.db2.gz TUVWCXVQYLRTOB-SUMWQHHRSA-N 0 3 303.381 2.423 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000373217852 527263786 /nfs/dbraw/zinc/26/37/86/527263786.db2.gz SFSPJYYMBRYERH-SJORKVTESA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCn1c(C2CC2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000337841691 527306669 /nfs/dbraw/zinc/30/66/69/527306669.db2.gz FWJGJJAQDCBEJS-OAHLLOKOSA-N 0 3 301.438 2.406 20 30 DEEDHN C=CCn1c(COCC)nnc1N1CCN(C2CCCC2)CC1 ZINC000337852381 527323966 /nfs/dbraw/zinc/32/39/66/527323966.db2.gz JVDQXOMECGSZCM-UHFFFAOYSA-N 0 3 319.453 2.065 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCc1ccccc1OCCN(C)C ZINC000299378698 527381277 /nfs/dbraw/zinc/38/12/77/527381277.db2.gz LRRKQTPCJSCUER-HNNXBMFYSA-N 0 3 320.433 2.224 20 30 DEEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289600453 527442605 /nfs/dbraw/zinc/44/26/05/527442605.db2.gz CPYRDQLPUMWRER-JSGCOSHPSA-N 0 3 310.825 2.214 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413908132 527552173 /nfs/dbraw/zinc/55/21/73/527552173.db2.gz BZIOQRZLHNHOHI-MRXNPFEDSA-N 0 3 310.369 2.032 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCc1cncnc1)C(C)C ZINC000292344867 527644571 /nfs/dbraw/zinc/64/45/71/527644571.db2.gz YIJPCJRLCUHSAE-KRWDZBQOSA-N 0 3 316.449 2.224 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000249474182 528420809 /nfs/dbraw/zinc/42/08/09/528420809.db2.gz VAMJFBRZONAZAJ-HLLBOEOZSA-N 0 3 309.454 2.224 20 30 DEEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264138296 528441315 /nfs/dbraw/zinc/44/13/15/528441315.db2.gz NXVBTXYSYJKAQY-INIZCTEOSA-N 0 3 315.417 2.327 20 30 DEEDHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000331299973 528827378 /nfs/dbraw/zinc/82/73/78/528827378.db2.gz BOICPBMCOTXGMI-QJPTWQEYSA-N 0 3 301.456 2.031 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000330442671 528853630 /nfs/dbraw/zinc/85/36/30/528853630.db2.gz FLQNEIUYYZUFSH-UWWQBHOKSA-N 0 3 321.465 2.178 20 30 DEEDHN CC(C)[C@@]1(CO)CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000292996951 528893607 /nfs/dbraw/zinc/89/36/07/528893607.db2.gz ITEYJVCPOQDITC-MSOLQXFVSA-N 0 3 302.418 2.322 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000338042111 529011180 /nfs/dbraw/zinc/01/11/80/529011180.db2.gz NQZVRMRALFZOAG-KRWDZBQOSA-N 0 3 317.408 2.351 20 30 DEEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000293988717 529163796 /nfs/dbraw/zinc/16/37/96/529163796.db2.gz FHHHTFVIFREYRC-ZDUSSCGKSA-N 0 3 310.419 2.061 20 30 DEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000368621480 536643019 /nfs/dbraw/zinc/64/30/19/536643019.db2.gz DAXQLUCHWUPWBD-OAHLLOKOSA-N 0 3 313.401 2.011 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](OC)[C@H](C)C1 ZINC000451542338 536883340 /nfs/dbraw/zinc/88/33/40/536883340.db2.gz JLCMZTNUFCSKIM-HIFRSBDPSA-N 0 3 304.390 2.302 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](OC)[C@@H](C)C1 ZINC000451542337 536884319 /nfs/dbraw/zinc/88/43/19/536884319.db2.gz JLCMZTNUFCSKIM-DZGCQCFKSA-N 0 3 304.390 2.302 20 30 DEEDHN C[C@@H](OCc1ccc(F)cc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835057916 649873466 /nfs/dbraw/zinc/87/34/66/649873466.db2.gz GULKUMNAFRYFMR-IUODEOHRSA-N 0 3 318.348 2.062 20 30 DEEDHN C/C=C/COc1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000835066226 649874481 /nfs/dbraw/zinc/87/44/81/649874481.db2.gz VEVKTIBVVAMNAN-KZSQQDEKSA-N 0 3 312.369 2.171 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001368696996 1148586530 /nfs/dbraw/zinc/58/65/30/1148586530.db2.gz ZDKPLBKAIOHRFV-UHFFFAOYSA-N 0 3 314.857 2.118 20 30 DEEDHN CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077101 649875879 /nfs/dbraw/zinc/87/58/79/649875879.db2.gz OKFWOCNHTYARCG-XHBSWPGZSA-N 0 3 314.341 2.446 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@](CO)(NC/C=C\Cl)C1 ZINC001327569462 1148589742 /nfs/dbraw/zinc/58/97/42/1148589742.db2.gz ONOFXJKCMMOQEH-IOBAAEILSA-N 0 3 314.857 2.284 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(C)ccc2F)C1 ZINC001327849101 1148658272 /nfs/dbraw/zinc/65/82/72/1148658272.db2.gz PZVAJGJLEPSANL-PBHICJAKSA-N 0 3 320.408 2.273 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@H]1CCCO1 ZINC001379488684 1152631597 /nfs/dbraw/zinc/63/15/97/1152631597.db2.gz HAIVGAVSHNWTKY-QWHCGFSZSA-N 0 3 321.446 2.173 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC2(CO[C@H](CNCCF)C2)CC1 ZINC001330544848 1149186252 /nfs/dbraw/zinc/18/62/52/1149186252.db2.gz ZQDWFZGPMHUQLE-AWEZNQCLSA-N 0 3 312.429 2.155 20 30 DEEDHN CN1CCCC[C@@H]1CC[N@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940049 601320495 /nfs/dbraw/zinc/32/04/95/601320495.db2.gz BNPBWKGOVTXYBM-SJORKVTESA-N 0 3 315.417 2.490 20 30 DEEDHN CN1CCCC[C@@H]1CC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940049 601320498 /nfs/dbraw/zinc/32/04/98/601320498.db2.gz BNPBWKGOVTXYBM-SJORKVTESA-N 0 3 315.417 2.490 20 30 DEEDHN C[N@@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941019 604496379 /nfs/dbraw/zinc/49/63/79/604496379.db2.gz PRVYMEYNMXVJNA-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941019 604496383 /nfs/dbraw/zinc/49/63/83/604496383.db2.gz PRVYMEYNMXVJNA-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941019 604496386 /nfs/dbraw/zinc/49/63/86/604496386.db2.gz PRVYMEYNMXVJNA-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@H]21 ZINC000830941019 604496388 /nfs/dbraw/zinc/49/63/88/604496388.db2.gz PRVYMEYNMXVJNA-ZACQAIPSSA-N 0 3 313.401 2.100 20 30 DEEDHN CCC#C[C@H](C)[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825029496 607792460 /nfs/dbraw/zinc/79/24/60/607792460.db2.gz UOQGDQVEWTZBRR-HNNXBMFYSA-N 0 3 324.432 2.181 20 30 DEEDHN CCC#C[C@H](C)[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825029496 607792461 /nfs/dbraw/zinc/79/24/61/607792461.db2.gz UOQGDQVEWTZBRR-HNNXBMFYSA-N 0 3 324.432 2.181 20 30 DEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CC(C)(C)C#N ZINC001362235291 1152857182 /nfs/dbraw/zinc/85/71/82/1152857182.db2.gz QLLOMUPLWSDRHJ-UHFFFAOYSA-N 0 3 303.406 2.222 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2COC)C1 ZINC001023463376 625281426 /nfs/dbraw/zinc/28/14/26/625281426.db2.gz NCNZAMFEAWMEBN-INIZCTEOSA-N 0 3 314.429 2.298 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cncc3[nH]ccc32)C1 ZINC001023466618 625283022 /nfs/dbraw/zinc/28/30/22/625283022.db2.gz JOCXZFQCNDSKDL-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)n(CC)c2C)C1 ZINC001023473640 625285357 /nfs/dbraw/zinc/28/53/57/625285357.db2.gz ORFWNMHTETWHGE-INIZCTEOSA-N 0 3 301.434 2.200 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC001023476313 625285735 /nfs/dbraw/zinc/28/57/35/625285735.db2.gz LBLSVAYOHDBLHB-MRXNPFEDSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001023483445 625293279 /nfs/dbraw/zinc/29/32/79/625293279.db2.gz STQQHQSMRACCRX-HNNXBMFYSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001025269328 625316277 /nfs/dbraw/zinc/31/62/77/625316277.db2.gz OLXJINYSJZDFGV-ROUUACIJSA-N 0 3 313.445 2.426 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC001025273547 625320882 /nfs/dbraw/zinc/32/08/82/625320882.db2.gz QFDHGZRODHOKGF-CVEARBPZSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1nc(C)c[nH]1 ZINC001025275860 625320904 /nfs/dbraw/zinc/32/09/04/625320904.db2.gz DBIBDDZNHGWICS-HOTGVXAUSA-N 0 3 314.433 2.201 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001023573358 625330607 /nfs/dbraw/zinc/33/06/07/625330607.db2.gz XRVSQKYGIHPEMM-ZDUSSCGKSA-N 0 3 306.356 2.348 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001023651600 625373723 /nfs/dbraw/zinc/37/37/23/625373723.db2.gz XGHWFXNILBLTKI-DOTOQJQBSA-N 0 3 312.413 2.014 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cncc(Cl)c2)C1 ZINC001023651174 625373879 /nfs/dbraw/zinc/37/38/79/625373879.db2.gz KRBLKDKBEJZLBG-ZDUSSCGKSA-N 0 3 305.809 2.200 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC001023691124 625390182 /nfs/dbraw/zinc/39/01/82/625390182.db2.gz GEQQRCWIEVVBJQ-AWEZNQCLSA-N 0 3 303.406 2.263 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2oc(C)nc2C)C1 ZINC001025376277 625390675 /nfs/dbraw/zinc/39/06/75/625390675.db2.gz WGACUYITBGRMOJ-IUODEOHRSA-N 0 3 303.406 2.145 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001023705545 625394573 /nfs/dbraw/zinc/39/45/73/625394573.db2.gz UJMINKMPZOHCJT-OAHLLOKOSA-N 0 3 301.434 2.288 20 30 DEEDHN C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001025388468 625397125 /nfs/dbraw/zinc/39/71/25/625397125.db2.gz HPJYFZOTMBCRGO-VOYABRKTSA-N 0 3 320.824 2.469 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(C)n(C)nc2Cl)C1 ZINC001023725473 625401167 /nfs/dbraw/zinc/40/11/67/625401167.db2.gz OVYLRLSFSKPSPT-LBPRGKRZSA-N 0 3 310.829 2.010 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000947679570 625407202 /nfs/dbraw/zinc/40/72/02/625407202.db2.gz MMGVQTUQZQXXCZ-BBRMVZONSA-N 0 3 304.821 2.485 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3cnccc32)C1 ZINC001023750135 625421886 /nfs/dbraw/zinc/42/18/86/625421886.db2.gz GGDQVVSBEWTJFL-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001025420026 625417209 /nfs/dbraw/zinc/41/72/09/625417209.db2.gz RLSCHBXNVFMSIM-CABCVRRESA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(F)ccc2F)C1 ZINC001025442889 625437841 /nfs/dbraw/zinc/43/78/41/625437841.db2.gz OSBBYULGDOOXRC-STQMWFEESA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001025434893 625431042 /nfs/dbraw/zinc/43/10/42/625431042.db2.gz ZDBSOCNGTBSANU-LSDHHAIUSA-N 0 3 316.449 2.102 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001025449441 625445287 /nfs/dbraw/zinc/44/52/87/625445287.db2.gz WCVZCHYWUCROCI-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2COC)C1 ZINC001025470244 625464692 /nfs/dbraw/zinc/46/46/92/625464692.db2.gz UZGYSQHQPQTEGW-CVEARBPZSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(OC)cc2F)C1 ZINC001025472285 625463227 /nfs/dbraw/zinc/46/32/27/625463227.db2.gz OVQXNEDVQVKVNR-KBPBESRZSA-N 0 3 318.392 2.298 20 30 DEEDHN Cc1nc(CNC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001023896134 625470303 /nfs/dbraw/zinc/47/03/03/625470303.db2.gz XZJVLGYIWDWCRB-BXUZGUMPSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001025474457 625466640 /nfs/dbraw/zinc/46/66/40/625466640.db2.gz LDUWKCCQIPMKOH-WMLDXEAASA-N 0 3 311.429 2.423 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC001023896314 625470408 /nfs/dbraw/zinc/47/04/08/625470408.db2.gz ZGRDZGOCWWSCQB-STQMWFEESA-N 0 3 316.405 2.040 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001025478067 625469683 /nfs/dbraw/zinc/46/96/83/625469683.db2.gz MMMQSJOCKXGQGL-ZIAGYGMSSA-N 0 3 317.433 2.436 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)onc2C2CC2)C1 ZINC001025485706 625477759 /nfs/dbraw/zinc/47/77/59/625477759.db2.gz ONYGJOLXCULFBL-DOMZBBRYSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2nccc3occc32)C1 ZINC001025489973 625481998 /nfs/dbraw/zinc/48/19/98/625481998.db2.gz RFHMHQQATXWSEP-KBPBESRZSA-N 0 3 311.385 2.291 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cn(C(C)C)cn2)C1 ZINC001025493379 625484670 /nfs/dbraw/zinc/48/46/70/625484670.db2.gz NLPKJUHJRSRBHI-HOTGVXAUSA-N 0 3 316.449 2.318 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccnc(OC(C)C)c2)C1 ZINC000972710412 625486366 /nfs/dbraw/zinc/48/63/66/625486366.db2.gz MVDGFTFXMIYRTL-HNNXBMFYSA-N 0 3 303.406 2.201 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001025527905 625506118 /nfs/dbraw/zinc/50/61/18/625506118.db2.gz NLMQTIXZXLUYGG-NWDGAFQWSA-N 0 3 324.375 2.201 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ncsc2C2CC2)C1 ZINC001025526990 625511143 /nfs/dbraw/zinc/51/11/43/625511143.db2.gz 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C=CCNC(=O)NC(=O)CN[C@](C)(CCC)c1ccccc1 ZINC000934183259 624771281 /nfs/dbraw/zinc/77/12/81/624771281.db2.gz MSGXBLYQJSKDHH-QGZVFWFLSA-N 0 3 303.406 2.303 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](OC)c2cccc(OC)c2)C1 ZINC000972015776 624774135 /nfs/dbraw/zinc/77/41/35/624774135.db2.gz FUEIVNGTJUIEMX-WBVHZDCISA-N 0 3 318.417 2.101 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H]1CCN1C1CCCCCC1 ZINC000867794352 624844484 /nfs/dbraw/zinc/84/44/84/624844484.db2.gz OXVBRANSMZSZJG-OAHLLOKOSA-N 0 3 300.468 2.279 20 30 DEEDHN C#C[C@H]1CCCCN1CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000934516084 624901035 /nfs/dbraw/zinc/90/10/35/624901035.db2.gz CDUXARUGQACZII-INIZCTEOSA-N 0 3 321.465 2.027 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(CC1CCCCC1)CCO2 ZINC000972297058 624918587 /nfs/dbraw/zinc/91/85/87/624918587.db2.gz FSBKLPHJPCONGA-QAPCUYQASA-N 0 3 319.449 2.030 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COc2ccccc2CC)C1 ZINC001027670337 634421804 /nfs/dbraw/zinc/42/18/04/634421804.db2.gz VPFHJPYAGFAIQI-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001024797197 625060134 /nfs/dbraw/zinc/06/01/34/625060134.db2.gz MUUZRJLXYAHKPJ-AWEZNQCLSA-N 0 3 315.417 2.046 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001022932996 625107457 /nfs/dbraw/zinc/10/74/57/625107457.db2.gz NWYWQBBKPQOPIP-APIJFGDWSA-N 0 3 314.857 2.427 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNCc2ccccn2)[nH]1 ZINC001024933231 625113768 /nfs/dbraw/zinc/11/37/68/625113768.db2.gz XPCGVUNPTCTSIQ-MRXNPFEDSA-N 0 3 323.400 2.066 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3cnccc32)C1 ZINC001027679691 634435605 /nfs/dbraw/zinc/43/56/05/634435605.db2.gz QRXYXDPIDJUDOI-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc(C(C)C)nc2C)C1 ZINC000972488970 625124010 /nfs/dbraw/zinc/12/40/10/625124010.db2.gz FQWNGGXMMFPXRB-AWEZNQCLSA-N 0 3 302.422 2.241 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC000972490597 625126727 /nfs/dbraw/zinc/12/67/27/625126727.db2.gz ZTPNCSHNNMPIMK-CYBMUJFWSA-N 0 3 303.406 2.243 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)C[C@H]1C ZINC000947546029 625190912 /nfs/dbraw/zinc/19/09/12/625190912.db2.gz ADNLYBKRYJNCMG-UKRRQHHQSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001025070461 625193126 /nfs/dbraw/zinc/19/31/26/625193126.db2.gz ZDIXCLYEELRYQP-WMLDXEAASA-N 0 3 319.453 2.186 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](CNC(=O)c3cocn3)C2)c1 ZINC001023261318 625199564 /nfs/dbraw/zinc/19/95/64/625199564.db2.gz HBTJJMHBJIIJKU-MRXNPFEDSA-N 0 3 324.384 2.188 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4cccnc4c3)[C@@H]2C1 ZINC000978881649 634443311 /nfs/dbraw/zinc/44/33/11/634443311.db2.gz XJUJVJXIVFUKPF-NNZMDNLPSA-N 0 3 319.408 2.166 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001023416426 625259037 /nfs/dbraw/zinc/25/90/37/625259037.db2.gz AINJYUMMKZRROA-CYBMUJFWSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001023419954 625262225 /nfs/dbraw/zinc/26/22/25/625262225.db2.gz YCFGAESRPDVBQD-CYBMUJFWSA-N 0 3 301.390 2.017 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccnc(F)c1 ZINC001025207422 625265187 /nfs/dbraw/zinc/26/51/87/625265187.db2.gz HZAIVZLJHUMNLR-CVEARBPZSA-N 0 3 315.392 2.313 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2nccc3ccsc32)C1 ZINC001023428624 625265769 /nfs/dbraw/zinc/26/57/69/625265769.db2.gz ADRSYZXQCAQFPC-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001027695108 634449655 /nfs/dbraw/zinc/44/96/55/634449655.db2.gz DZDHXXNFLHGKNQ-DOTOQJQBSA-N 0 3 314.429 2.355 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000892464494 625745531 /nfs/dbraw/zinc/74/55/31/625745531.db2.gz DUXNFNKHOANYIT-KBPBESRZSA-N 0 3 306.406 2.493 20 30 DEEDHN CC(C)(CCC#N)COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000195074636 625771584 /nfs/dbraw/zinc/77/15/84/625771584.db2.gz NWJUHYMTCWKOQA-UWVGGRQHSA-N 0 3 320.311 2.317 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001024469056 625796601 /nfs/dbraw/zinc/79/66/01/625796601.db2.gz UEYNSZBRCMOHLS-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001024483800 625808368 /nfs/dbraw/zinc/80/83/68/625808368.db2.gz ZVOKVZZAMDNAQP-LLVKDONJSA-N 0 3 310.829 2.396 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC001027699591 634453920 /nfs/dbraw/zinc/45/39/20/634453920.db2.gz GGBJHQQOGNZQDG-DLBZAZTESA-N 0 3 318.392 2.069 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(=O)oc1C ZINC001024542753 625860287 /nfs/dbraw/zinc/86/02/87/625860287.db2.gz ACLRICCOCDSVFG-CQSZACIVSA-N 0 3 304.390 2.027 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H](C)CO2)cc1 ZINC000892490449 625885757 /nfs/dbraw/zinc/88/57/57/625885757.db2.gz TWLIOVDIUGOJQO-KCPJHIHWSA-N 0 3 300.358 2.321 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000892498010 625903090 /nfs/dbraw/zinc/90/30/90/625903090.db2.gz CIJJXAGLKJRJQH-CMPLNLGQSA-N 0 3 318.398 2.117 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001024585239 625908392 /nfs/dbraw/zinc/90/83/92/625908392.db2.gz BREICKHVLZMWCW-OAHLLOKOSA-N 0 3 318.392 2.442 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2C[C@H](C)OC)cc1 ZINC001024587457 625909301 /nfs/dbraw/zinc/90/93/01/625909301.db2.gz IUJIKJQYFDGYNY-MAUKXSAKSA-N 0 3 314.429 2.287 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001024591701 625914526 /nfs/dbraw/zinc/91/45/26/625914526.db2.gz HUWLUFJOXKWKCH-OAHLLOKOSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCC(OC)CC1 ZINC001024625162 625939895 /nfs/dbraw/zinc/93/98/95/625939895.db2.gz JNGMIYHGGDASJR-AQFXKWCLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001024625317 625942042 /nfs/dbraw/zinc/94/20/42/625942042.db2.gz LSBMJKAZTUKISH-INIZCTEOSA-N 0 3 315.417 2.006 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4ccccc4n3)[C@@H]2C1 ZINC000978990698 634471918 /nfs/dbraw/zinc/47/19/18/634471918.db2.gz YLFAQCGDXJGSFE-OSYLJGHBSA-N 0 3 319.408 2.166 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3occ4c3CCCC4)[C@@H]2C1 ZINC000978994689 634472323 /nfs/dbraw/zinc/47/23/23/634472323.db2.gz JQKHYMBOXDEARY-OSYLJGHBSA-N 0 3 312.413 2.089 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC000979050824 634491022 /nfs/dbraw/zinc/49/10/22/634491022.db2.gz CUWPFVZTQCFWGI-PHZGNYQRSA-N 0 3 307.397 2.099 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccccc4)[nH]3)[C@@H]2C1 ZINC000979143102 634512768 /nfs/dbraw/zinc/51/27/68/634512768.db2.gz LEGHFCDEDPGDMC-OSYLJGHBSA-N 0 3 319.408 2.223 20 30 DEEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)NC1CCCC1 ZINC000125731987 634580371 /nfs/dbraw/zinc/58/03/71/634580371.db2.gz JBGHRTSLJQFSMM-MRXNPFEDSA-N 0 3 314.385 2.361 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cc(C)n[nH]3)C[C@@H]2C1 ZINC000979507433 634666900 /nfs/dbraw/zinc/66/69/00/634666900.db2.gz UJNNKEYCYZKCBY-MJBXVCDLSA-N 0 3 322.840 2.301 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC000999876940 634698461 /nfs/dbraw/zinc/69/84/61/634698461.db2.gz QIECBKJPHGIEPR-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCCO[C@@H]3C)CC2)CC1 ZINC001000137117 634763166 /nfs/dbraw/zinc/76/31/66/634763166.db2.gz GFYGNKROVUXFJR-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCC[C@H](OC)C3)CC2)CC1 ZINC001000249828 634823658 /nfs/dbraw/zinc/82/36/58/634823658.db2.gz OFXSMBBJVSEGAG-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCCc1ccccc1 ZINC000836191092 650062186 /nfs/dbraw/zinc/06/21/86/650062186.db2.gz HVELTOIOHDUQNW-UHFFFAOYSA-N 0 3 301.434 2.264 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1COc2c1cccc2Cl ZINC000836356762 650082974 /nfs/dbraw/zinc/08/29/74/650082974.db2.gz GPIFVTAOZGQCRY-AWEZNQCLSA-N 0 3 321.808 2.028 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCSC(CC)(CC)C1 ZINC000836490300 650097532 /nfs/dbraw/zinc/09/75/32/650097532.db2.gz SYRKYICNFDIMIV-UHFFFAOYSA-N 0 3 311.495 2.259 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000836488374 650097612 /nfs/dbraw/zinc/09/76/12/650097612.db2.gz LFQOSXNAQVZXPN-CQSZACIVSA-N 0 3 317.408 2.410 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(C)=O)cn2)CC1 ZINC000836506122 650099508 /nfs/dbraw/zinc/09/95/08/650099508.db2.gz ZTGLJXLXCFKXNU-UHFFFAOYSA-N 0 3 302.378 2.056 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001024702180 632931889 /nfs/dbraw/zinc/93/18/89/632931889.db2.gz PNFGUKPYSBRKJF-CQSZACIVSA-N 0 3 303.406 2.153 20 30 DEEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001024711162 632940344 /nfs/dbraw/zinc/94/03/44/632940344.db2.gz GVGPXDBJSQOFFA-GFCCVEGCSA-N 0 3 321.446 2.007 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024712366 632942426 /nfs/dbraw/zinc/94/24/26/632942426.db2.gz WAZHGHBKIWYILT-HNNXBMFYSA-N 0 3 305.809 2.343 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026818331 633143083 /nfs/dbraw/zinc/14/30/83/633143083.db2.gz AMUYVDOJHXKBEE-OAHLLOKOSA-N 0 3 322.412 2.447 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3cc(C)ccn32)C(C)(C)C1 ZINC000974616287 633177048 /nfs/dbraw/zinc/17/70/48/633177048.db2.gz WMLWAXQBWPMCOF-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000996225765 633215527 /nfs/dbraw/zinc/21/55/27/633215527.db2.gz FGLLUJBTMLJJJS-MAUKXSAKSA-N 0 3 318.465 2.349 20 30 DEEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000733680763 633262067 /nfs/dbraw/zinc/26/20/67/633262067.db2.gz GBLYCDDJZFRSMA-VNHYZAJKSA-N 0 3 315.373 2.324 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2nc(C)sc2C)C(C)(C)C1 ZINC000974735078 633271994 /nfs/dbraw/zinc/27/19/94/633271994.db2.gz LSMTYPZPBRYTFX-OAHLLOKOSA-N 0 3 319.474 2.152 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3ccccn23)C(C)(C)C1 ZINC000974748889 633278361 /nfs/dbraw/zinc/27/83/61/633278361.db2.gz XHBRQDFLUMYYJM-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC000974739347 633282005 /nfs/dbraw/zinc/28/20/05/633282005.db2.gz YKHAYVQXZJDWBV-MRXNPFEDSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnc(C3CC3)c2)C(C)(C)C1 ZINC000974780484 633301347 /nfs/dbraw/zinc/30/13/47/633301347.db2.gz ROAYRITUSPBBQS-KRWDZBQOSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(Cl)cn2C)C(C)(C)C1 ZINC000974788050 633305214 /nfs/dbraw/zinc/30/52/14/633305214.db2.gz CNHZARHEBKQXRB-AWEZNQCLSA-N 0 3 307.825 2.142 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(OCC)no2)C(C)(C)C1 ZINC000974827583 633321146 /nfs/dbraw/zinc/32/11/46/633321146.db2.gz QNRQRMOICURRHB-CYBMUJFWSA-N 0 3 307.394 2.090 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026991890 633332179 /nfs/dbraw/zinc/33/21/79/633332179.db2.gz CGLCBCPNOPGLBZ-XJKSGUPXSA-N 0 3 303.381 2.244 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2occ3c2CCOC3)C(C)(C)C1 ZINC000974901841 633366216 /nfs/dbraw/zinc/36/62/16/633366216.db2.gz XJMPJDBNCVAINR-OAHLLOKOSA-N 0 3 318.417 2.369 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000996895408 633502740 /nfs/dbraw/zinc/50/27/40/633502740.db2.gz APLGQMLXZICNPG-GFCCVEGCSA-N 0 3 321.234 2.470 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001027228961 633504006 /nfs/dbraw/zinc/50/40/06/633504006.db2.gz YCFLYLOMFLISTG-OAHLLOKOSA-N 0 3 322.412 2.067 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)C(F)F)C1 ZINC001027262188 633528592 /nfs/dbraw/zinc/52/85/92/633528592.db2.gz RPLFUXZJXOMRQF-AWEZNQCLSA-N 0 3 307.344 2.246 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccnc(F)c2)CC1 ZINC000996970982 633544705 /nfs/dbraw/zinc/54/47/05/633544705.db2.gz DPXDOCCYJOZCQS-CYBMUJFWSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCCC(F)(F)C1)C1CCN(C)CC1 ZINC000921538988 633631324 /nfs/dbraw/zinc/63/13/24/633631324.db2.gz MRLASZNMSHDLBG-ZDUSSCGKSA-N 0 3 313.392 2.303 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001027314323 633638764 /nfs/dbraw/zinc/63/87/64/633638764.db2.gz VIMCMUFZZUPFTP-QGZVFWFLSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000997182383 633667757 /nfs/dbraw/zinc/66/77/57/633667757.db2.gz AQTCDZCVFMPQPW-CQSZACIVSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccnc2C2CC2)CC1 ZINC000997202731 633674148 /nfs/dbraw/zinc/67/41/48/633674148.db2.gz JWDYFWGKLAZMLW-CQSZACIVSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000997197675 633678226 /nfs/dbraw/zinc/67/82/26/633678226.db2.gz DVPNZOJEAAZLCC-CYBMUJFWSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(COC)cs2)CC1 ZINC000997206758 633682194 /nfs/dbraw/zinc/68/21/94/633682194.db2.gz ZSSMTDKIZRNBFB-CYBMUJFWSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000997276054 633690220 /nfs/dbraw/zinc/69/02/20/633690220.db2.gz FMHYOJPKQDNWTE-FZKQIMNGSA-N 0 3 314.404 2.315 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3cnccc3n2)CC1 ZINC000997326548 633700800 /nfs/dbraw/zinc/70/08/00/633700800.db2.gz HWUOHILXNGXWCW-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3cccnn32)CC1 ZINC000997336745 633711717 /nfs/dbraw/zinc/71/17/17/633711717.db2.gz HKTIPIPUMYLZOH-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC000997387951 633751428 /nfs/dbraw/zinc/75/14/28/633751428.db2.gz SYXHXDMRJGQLGS-CYBMUJFWSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000997387951 633751432 /nfs/dbraw/zinc/75/14/32/633751432.db2.gz SYXHXDMRJGQLGS-CYBMUJFWSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CC3(C2)CCOCC3)CC1 ZINC000997389281 633752672 /nfs/dbraw/zinc/75/26/72/633752672.db2.gz DIEBODBJFQLUQY-OAHLLOKOSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc(N(C)C)c2)CC1 ZINC000997405535 633755386 /nfs/dbraw/zinc/75/53/86/633755386.db2.gz FWNYCQBZDJLONI-OAHLLOKOSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(COC)cc2)CC1 ZINC000997419505 633760463 /nfs/dbraw/zinc/76/04/63/633760463.db2.gz GPUVWMNOISRORS-OAHLLOKOSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2csc(C3CC3)n2)CC1 ZINC000997447338 633764461 /nfs/dbraw/zinc/76/44/61/633764461.db2.gz AELDVIPUWBHGMY-GFCCVEGCSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2occ3c2CCC3)CC1 ZINC000997692943 633934697 /nfs/dbraw/zinc/93/46/97/633934697.db2.gz NPBZSUNGXYJZEI-ZDUSSCGKSA-N 0 3 300.402 2.232 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000997705472 633941217 /nfs/dbraw/zinc/94/12/17/633941217.db2.gz FBACFCMQQJJLND-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3[nH]cnc32)C(C)(C)C1 ZINC000977378955 633954992 /nfs/dbraw/zinc/95/49/92/633954992.db2.gz NRKOTDDZQNUMDW-HNNXBMFYSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccn(C)c2C)CC1 ZINC000997751561 633962742 /nfs/dbraw/zinc/96/27/42/633962742.db2.gz HKHYDLYNTYSZFR-AWEZNQCLSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001027518729 633978039 /nfs/dbraw/zinc/97/80/39/633978039.db2.gz ZMAASRXYVHRHPN-MRXNPFEDSA-N 0 3 324.428 2.051 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C(C)C)c2)C(C)(C)C1 ZINC000977453991 633992896 /nfs/dbraw/zinc/99/28/96/633992896.db2.gz BSOZYEIKNWJQMF-OAHLLOKOSA-N 0 3 304.438 2.480 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cn(C(C)C)nc2C)CC1 ZINC000997833940 634003682 /nfs/dbraw/zinc/00/36/82/634003682.db2.gz YVLYCVQKAKUPEX-AWEZNQCLSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(N(C)C)c2)CC1 ZINC000997845879 634007760 /nfs/dbraw/zinc/00/77/60/634007760.db2.gz FWNYCQBZDJLONI-HNNXBMFYSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cccc(F)c2)C(C)(C)C1 ZINC000977561570 634040096 /nfs/dbraw/zinc/04/00/96/634040096.db2.gz BELYHUHPEVAKFZ-MRXNPFEDSA-N 0 3 302.393 2.218 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2c(C)noc2C)C(C)(C)C1 ZINC000977583529 634058833 /nfs/dbraw/zinc/05/88/33/634058833.db2.gz VGNPPPNVCFBLGQ-HNNXBMFYSA-N 0 3 305.422 2.237 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC001027547886 634077091 /nfs/dbraw/zinc/07/70/91/634077091.db2.gz CJHYKPPHJIMTQE-NSHDSACASA-N 0 3 310.319 2.274 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2csc(CC)n2)C(C)(C)C1 ZINC000977648998 634081400 /nfs/dbraw/zinc/08/14/00/634081400.db2.gz ZAIHRIABIGZOTC-CQSZACIVSA-N 0 3 319.474 2.098 20 30 DEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2cc(OC)no2)CC1 ZINC000997968594 634084521 /nfs/dbraw/zinc/08/45/21/634084521.db2.gz HWZVKGGNVVAOCQ-ZDUSSCGKSA-N 0 3 307.394 2.186 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000997970447 634086094 /nfs/dbraw/zinc/08/60/94/634086094.db2.gz MMAREVPMWNSCIU-MRXNPFEDSA-N 0 3 312.417 2.226 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000998024962 634116268 /nfs/dbraw/zinc/11/62/68/634116268.db2.gz FXPYJLCBJRKKKJ-CYBMUJFWSA-N 0 3 322.840 2.321 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC000998031545 634116857 /nfs/dbraw/zinc/11/68/57/634116857.db2.gz AAABHNBLPSBHNK-IKGGRYGDSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000998033206 634117025 /nfs/dbraw/zinc/11/70/25/634117025.db2.gz HBNSTTLCXUPSDW-KRWDZBQOSA-N 0 3 324.428 2.464 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccn(C(C)C)n2)CC1 ZINC000998135433 634149891 /nfs/dbraw/zinc/14/98/91/634149891.db2.gz OGKDOIGSIRGBON-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)C2=COCCC2)CC[C@@H]1C(F)(F)F ZINC000998247715 634186046 /nfs/dbraw/zinc/18/60/46/634186046.db2.gz SQZHIEGJWVZWID-STQMWFEESA-N 0 3 318.339 2.236 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027581629 634200421 /nfs/dbraw/zinc/20/04/21/634200421.db2.gz GNUZNFFNBSNAAS-KBPBESRZSA-N 0 3 301.862 2.002 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cscc3C(F)F)[C@@H]2C1 ZINC000978194014 634236925 /nfs/dbraw/zinc/23/69/25/634236925.db2.gz HVQFNLCKRXHMJO-RTCCRHLQSA-N 0 3 310.369 2.227 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4nccc(C)c4c3)[C@@H]2C1 ZINC000978212185 634245229 /nfs/dbraw/zinc/24/52/29/634245229.db2.gz BMLGYPKOKCMAID-NNZMDNLPSA-N 0 3 319.408 2.084 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001027606123 634271288 /nfs/dbraw/zinc/27/12/88/634271288.db2.gz XYOUQWJFJJFPLX-KBPBESRZSA-N 0 3 303.406 2.358 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4cc(C)ccc4n3)[C@@H]2C1 ZINC000978448964 634317852 /nfs/dbraw/zinc/31/78/52/634317852.db2.gz WVINQTANJSGCEJ-OSYLJGHBSA-N 0 3 319.408 2.084 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001027912203 634942560 /nfs/dbraw/zinc/94/25/60/634942560.db2.gz KKNANDZXUQBQGD-MRXNPFEDSA-N 0 3 314.433 2.216 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001027926431 634984808 /nfs/dbraw/zinc/98/48/08/634984808.db2.gz CAMPBIDADNKTPP-JTQLQIEISA-N 0 3 316.327 2.199 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001027932902 634997861 /nfs/dbraw/zinc/99/78/61/634997861.db2.gz MCULSEVVNVTGLY-SFHVURJKSA-N 0 3 322.412 2.090 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980446564 635002250 /nfs/dbraw/zinc/00/22/50/635002250.db2.gz URFHCIQQXRIHLR-SFHVURJKSA-N 0 3 322.412 2.162 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001027948022 635039382 /nfs/dbraw/zinc/03/93/82/635039382.db2.gz XHPXFXGUFHMEBB-ZDUSSCGKSA-N 0 3 305.809 2.261 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001000692025 635267714 /nfs/dbraw/zinc/26/77/14/635267714.db2.gz CDTJOZRWSLISEX-LBPRGKRZSA-N 0 3 310.829 2.020 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c2OCC3)C[C@@H]1C ZINC000947726023 635280181 /nfs/dbraw/zinc/28/01/81/635280181.db2.gz HOOFSBYFSIISNG-DZGCQCFKSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(C3CC3)n(CC)n2)CC1 ZINC001000770997 635291129 /nfs/dbraw/zinc/29/11/29/635291129.db2.gz JRGNTETWQIJMNS-UHFFFAOYSA-N 0 3 314.433 2.328 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C)noc2C(F)F)CC1 ZINC001000825960 635316756 /nfs/dbraw/zinc/31/67/56/635316756.db2.gz RLZKKWRAJJXUTH-UHFFFAOYSA-N 0 3 311.332 2.469 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1c[nH]c(Br)c1 ZINC001028034598 635334864 /nfs/dbraw/zinc/33/48/64/635334864.db2.gz WDGYCZXUTZUFCE-LLVKDONJSA-N 0 3 312.211 2.157 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(COC)cs2)CC1 ZINC001000915344 635348867 /nfs/dbraw/zinc/34/88/67/635348867.db2.gz VUPUHCQQQGBYKU-UHFFFAOYSA-N 0 3 306.431 2.442 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN([C@H](C)COC)CC1 ZINC000981242877 635400179 /nfs/dbraw/zinc/40/01/79/635400179.db2.gz VMUVUGPTFHDDDD-GFCCVEGCSA-N 0 3 302.846 2.334 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ncnc3ccsc32)CC1 ZINC000981294075 635422210 /nfs/dbraw/zinc/42/22/10/635422210.db2.gz XCIWYCGEAURXOK-UHFFFAOYSA-N 0 3 316.430 2.415 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C2CC3(C2)CCOCC3)CC1 ZINC001001366779 635479262 /nfs/dbraw/zinc/47/92/62/635479262.db2.gz QEAZEGAUZVRPQS-UHFFFAOYSA-N 0 3 304.434 2.128 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC001001440116 635505831 /nfs/dbraw/zinc/50/58/31/635505831.db2.gz VBWABUWVYZXOCV-UHFFFAOYSA-N 0 3 312.373 2.218 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC001001448363 635508449 /nfs/dbraw/zinc/50/84/49/635508449.db2.gz MEYHUWKBRIIADX-UHFFFAOYSA-N 0 3 324.375 2.052 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(C)onc2C2CC2)CC1 ZINC001001651430 635535643 /nfs/dbraw/zinc/53/56/43/635535643.db2.gz XFJVYNYHRLYMDF-UHFFFAOYSA-N 0 3 315.417 2.326 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001001766468 635550731 /nfs/dbraw/zinc/55/07/31/635550731.db2.gz GNEKDROSMAAKSR-KBPBESRZSA-N 0 3 316.367 2.426 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCc3cc(F)ccc32)CC1 ZINC000981628543 635564643 /nfs/dbraw/zinc/56/46/43/635564643.db2.gz QYKXIVBVZONSLT-SFHVURJKSA-N 0 3 314.404 2.413 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2sc(C)cc2OC)CC1 ZINC001001907129 635573372 /nfs/dbraw/zinc/57/33/72/635573372.db2.gz GRCHFKGOBHGNLZ-UHFFFAOYSA-N 0 3 306.431 2.140 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001001919282 635577261 /nfs/dbraw/zinc/57/72/61/635577261.db2.gz YLZAUCGHSVASNT-CYBMUJFWSA-N 0 3 303.406 2.263 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnn(CC(C)C)c2)CC1 ZINC001001976130 635589846 /nfs/dbraw/zinc/58/98/46/635589846.db2.gz YMSZOJOACYPMHD-UHFFFAOYSA-N 0 3 316.449 2.004 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c[nH]c3cccnc23)CC1 ZINC001002042722 635611122 /nfs/dbraw/zinc/61/11/22/635611122.db2.gz HJWZLOJZDRPEOO-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC001002171242 635633506 /nfs/dbraw/zinc/63/35/06/635633506.db2.gz LLDPRLNUZFHSFP-KDOFPFPSSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCCCS1)C1CCN(C)CC1 ZINC000921904126 635691691 /nfs/dbraw/zinc/69/16/91/635691691.db2.gz FSNBHPKYSNPOAL-HNNXBMFYSA-N 0 3 309.479 2.011 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001028170401 635765696 /nfs/dbraw/zinc/76/56/96/635765696.db2.gz QSCKRAYTCVQXKI-OAHLLOKOSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001028182400 635785290 /nfs/dbraw/zinc/78/52/90/635785290.db2.gz VHKBMCIISRTKPU-MRXNPFEDSA-N 0 3 316.449 2.462 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCO[C@@H](CC)C3)C2)C1 ZINC000982106014 635871120 /nfs/dbraw/zinc/87/11/20/635871120.db2.gz KUKXXPBAKUDGJD-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCO[C@H](CC)C3)C2)C1 ZINC000982106018 635871368 /nfs/dbraw/zinc/87/13/68/635871368.db2.gz KUKXXPBAKUDGJD-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(Cl)no3)C2)C1 ZINC000982126446 635881610 /nfs/dbraw/zinc/88/16/10/635881610.db2.gz ZYJWMNOIHIQDGQ-UHFFFAOYSA-N 0 3 309.797 2.442 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CCc3nccs3)C2)C1 ZINC000982155220 635892280 /nfs/dbraw/zinc/89/22/80/635892280.db2.gz ONPMNRREYJPZDK-UHFFFAOYSA-N 0 3 305.447 2.186 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)C[C@H]3CCCO3)C2)C1 ZINC000982166770 635894123 /nfs/dbraw/zinc/89/41/23/635894123.db2.gz NICOPDYWBADCAZ-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnn(C)c3C3CC3)C2)C1 ZINC000982170705 635895955 /nfs/dbraw/zinc/89/59/55/635895955.db2.gz LJBJEQFMUVKWHY-UHFFFAOYSA-N 0 3 314.433 2.022 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000982207518 635906860 /nfs/dbraw/zinc/90/68/60/635906860.db2.gz ILEREEWYXQGAJM-UHFFFAOYSA-N 0 3 316.327 2.153 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn(CCC)c1C ZINC001028224136 635920886 /nfs/dbraw/zinc/92/08/86/635920886.db2.gz XTKHPAWKBUENDX-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cc(C)nc(C)c3)C[C@]2(C)C1 ZINC000982289115 635948065 /nfs/dbraw/zinc/94/80/65/635948065.db2.gz NQFUNPZEPICCRX-KDURUIRLSA-N 0 3 311.429 2.116 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(COC)c2)CC1 ZINC001003588126 635999429 /nfs/dbraw/zinc/99/94/29/635999429.db2.gz ZAALCRJHIGNTNJ-UHFFFAOYSA-N 0 3 306.381 2.352 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@]34C[C@H]3CCC4)C[C@]2(C)C1 ZINC000982386953 636004363 /nfs/dbraw/zinc/00/43/63/636004363.db2.gz VYTIPRBBBXGCGQ-OQIJWPOYSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3csc(C)n3)C[C@]2(C)C1 ZINC000982476487 636112950 /nfs/dbraw/zinc/11/29/50/636112950.db2.gz YEMHQORBMFHQHL-CALCHBBNSA-N 0 3 317.458 2.259 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001028294438 636114279 /nfs/dbraw/zinc/11/42/79/636114279.db2.gz CJAJKEDXLTYYFL-MSOLQXFVSA-N 0 3 314.429 2.285 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001028311293 636124387 /nfs/dbraw/zinc/12/43/87/636124387.db2.gz KDHCOFOQARTNBM-CQSZACIVSA-N 0 3 304.438 2.314 20 30 DEEDHN C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CCN1C ZINC000922372941 636134590 /nfs/dbraw/zinc/13/45/90/636134590.db2.gz BDTXVHYCYXHEIC-IINYFYTJSA-N 0 3 306.797 2.103 20 30 DEEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001028350140 636142739 /nfs/dbraw/zinc/14/27/39/636142739.db2.gz DOHMVZSGJKGUFS-GFCCVEGCSA-N 0 3 309.435 2.060 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001028355373 636145010 /nfs/dbraw/zinc/14/50/10/636145010.db2.gz KQDVAOVLPZWDNM-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)c3cccnc3)C2)c1 ZINC001028361461 636148167 /nfs/dbraw/zinc/14/81/67/636148167.db2.gz DCTNIEFRINZYTM-KRWDZBQOSA-N 0 3 320.396 2.205 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)c3ccccn3)C2)c1 ZINC001028363190 636151351 /nfs/dbraw/zinc/15/13/51/636151351.db2.gz ZKFAVWQQBZOFME-KRWDZBQOSA-N 0 3 320.396 2.205 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)c3ccoc3)C2)c1 ZINC001028407508 636178365 /nfs/dbraw/zinc/17/83/65/636178365.db2.gz RAZQBGIZTIJMCL-MRXNPFEDSA-N 0 3 309.369 2.403 20 30 DEEDHN Cn1ccc(C(=O)NC[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)c1 ZINC001028476342 636237465 /nfs/dbraw/zinc/23/74/65/636237465.db2.gz AYYKRUKDHWDXCF-KRWDZBQOSA-N 0 3 322.412 2.149 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001028580618 636376299 /nfs/dbraw/zinc/37/62/99/636376299.db2.gz ZZWKAWFVXJWTBS-INIZCTEOSA-N 0 3 319.408 2.434 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC([C@H]2CCCN2Cc2ccon2)CC1 ZINC001004388687 636406027 /nfs/dbraw/zinc/40/60/27/636406027.db2.gz QGTGBCSSMIMFNI-XJKSGUPXSA-N 0 3 316.405 2.037 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(Cc2ccccc2)nn1 ZINC000894216959 636485706 /nfs/dbraw/zinc/48/57/06/636485706.db2.gz LWEGJJMZJFRAFT-SJLPKXTDSA-N 0 3 312.417 2.397 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H]1CCCCN1C(C)=O ZINC001004637876 636509230 /nfs/dbraw/zinc/50/92/30/636509230.db2.gz XTHPWMQGMRCRHH-DYVFJYSZSA-N 0 3 315.417 2.446 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2scnc2C(F)F)C1 ZINC001028684212 636623874 /nfs/dbraw/zinc/62/38/74/636623874.db2.gz LFBZVOAABYSEQM-SNVBAGLBSA-N 0 3 313.373 2.156 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001028694474 636633689 /nfs/dbraw/zinc/63/36/89/636633689.db2.gz OCCDEYSSLUOFDF-LLVKDONJSA-N 0 3 314.307 2.292 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C)c3cccnc23)C1 ZINC001028698978 636642868 /nfs/dbraw/zinc/64/28/68/636642868.db2.gz FEEIWNZTLSLRTL-HNNXBMFYSA-N 0 3 307.397 2.228 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccnnc3)CC[C@@H]2C1 ZINC000946794702 636656916 /nfs/dbraw/zinc/65/69/16/636656916.db2.gz BLSSCMJDWIMXDK-GASCZTMLSA-N 0 3 320.824 2.013 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001028767044 636719485 /nfs/dbraw/zinc/71/94/85/636719485.db2.gz JQVNPKBRRQWYEJ-ZDUSSCGKSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001028769483 636721727 /nfs/dbraw/zinc/72/17/27/636721727.db2.gz LZMCKWIRPKOZDT-NSHDSACASA-N 0 3 310.319 2.179 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)[C@@H]3CC34CC4)C2)c1 ZINC001028827877 636764522 /nfs/dbraw/zinc/76/45/22/636764522.db2.gz FKWJDUFSMGAPNF-SJORKVTESA-N 0 3 309.413 2.296 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cn3c(n2)C[C@H](C)CC3)CC1 ZINC001005574794 636784895 /nfs/dbraw/zinc/78/48/95/636784895.db2.gz NASVDSCYSKGAQF-CQSZACIVSA-N 0 3 316.449 2.188 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2scnc2C(C)C)C1 ZINC001028854597 636792955 /nfs/dbraw/zinc/79/29/55/636792955.db2.gz IUEMFRILCXVIIT-ZDUSSCGKSA-N 0 3 305.447 2.342 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001028870657 636802230 /nfs/dbraw/zinc/80/22/30/636802230.db2.gz SXKOGZAFRYUSDP-WBVHZDCISA-N 0 3 312.413 2.014 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2sc(C)nc2C)CC1 ZINC001005743280 636834039 /nfs/dbraw/zinc/83/40/39/636834039.db2.gz YDQKJMLVOLTRBM-UHFFFAOYSA-N 0 3 307.463 2.411 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC001005769472 636835784 /nfs/dbraw/zinc/83/57/84/636835784.db2.gz NKADSIPCLVMVNT-UHFFFAOYSA-N 0 3 314.389 2.392 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC001005790159 636838811 /nfs/dbraw/zinc/83/88/11/636838811.db2.gz MEKJIYUEQVDIEL-UHFFFAOYSA-N 0 3 324.856 2.494 20 30 DEEDHN C=CCS(=O)(=O)CCNCc1cc2c(cccc2O)s1 ZINC000894436209 637038395 /nfs/dbraw/zinc/03/83/95/637038395.db2.gz FSFPGNZNGVRTRH-UHFFFAOYSA-N 0 3 311.428 2.297 20 30 DEEDHN CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CCCN(C)C1 ZINC000894500558 637076597 /nfs/dbraw/zinc/07/65/97/637076597.db2.gz VXSTVDSOEDNBMX-NVXWUHKLSA-N 0 3 312.417 2.281 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000983618100 637113113 /nfs/dbraw/zinc/11/31/13/637113113.db2.gz GQLYTCURQZVEPQ-KCPJHIHWSA-N 0 3 319.355 2.198 20 30 DEEDHN Cc1cc(CN[C@@H](C)C2CCN(C(=O)C#CC3CC3)CC2)on1 ZINC001029097739 637228059 /nfs/dbraw/zinc/22/80/59/637228059.db2.gz IGKUAONDCPJTMS-AWEZNQCLSA-N 0 3 315.417 2.113 20 30 DEEDHN O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H]1CCCCO1 ZINC001029302600 637574009 /nfs/dbraw/zinc/57/40/09/637574009.db2.gz LCCHIFPSCSFHSN-KSZLIROESA-N 0 3 316.445 2.034 20 30 DEEDHN C=CCONC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000838713957 637637774 /nfs/dbraw/zinc/63/77/74/637637774.db2.gz WRKXOUCBLMAEGZ-CQSZACIVSA-N 0 3 309.435 2.428 20 30 DEEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCCN([O-])C1=O)CC3 ZINC000895162277 637697793 /nfs/dbraw/zinc/69/77/93/637697793.db2.gz JPJOGOTYYGDUGH-YVEFUNNKSA-N 0 3 313.401 2.303 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000839253973 637832992 /nfs/dbraw/zinc/83/29/92/637832992.db2.gz DGIKEQVGOCWEDQ-HNNXBMFYSA-N 0 3 300.402 2.152 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(-c3cnn(C)c3)c2)CC1 ZINC000741689877 638002911 /nfs/dbraw/zinc/00/29/11/638002911.db2.gz NNVIEALXEJKNHI-UHFFFAOYSA-N 0 3 324.428 2.467 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)C1 ZINC000895508461 638062954 /nfs/dbraw/zinc/06/29/54/638062954.db2.gz RZNJZBDLSYOPAB-KCXAZCMYSA-N 0 3 311.385 2.396 20 30 DEEDHN C[C@@H](NC(=S)NC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000743059416 638114897 /nfs/dbraw/zinc/11/48/97/638114897.db2.gz HMUBFZFSPVMUPA-GFCCVEGCSA-N 0 3 302.447 2.178 20 30 DEEDHN CCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000895939373 638277441 /nfs/dbraw/zinc/27/74/41/638277441.db2.gz NOSDFYBUPZAEPY-HOTGVXAUSA-N 0 3 311.470 2.197 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896286868 638451355 /nfs/dbraw/zinc/45/13/55/638451355.db2.gz AOBJBOSBMFKCOJ-HOTGVXAUSA-N 0 3 323.481 2.219 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896516685 638561265 /nfs/dbraw/zinc/56/12/65/638561265.db2.gz SSYLHHQYFJXSID-AWEZNQCLSA-N 0 3 316.361 2.132 20 30 DEEDHN C[C@@H](CCC#N)CN1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000896749652 638664788 /nfs/dbraw/zinc/66/47/88/638664788.db2.gz VCOFURXMRSDXOX-ZDUSSCGKSA-N 0 3 313.405 2.330 20 30 DEEDHN COc1ccc(C(C)=NN[C@H](C)CO)cc1CN1CCCCC1 ZINC000749817077 638684312 /nfs/dbraw/zinc/68/43/12/638684312.db2.gz YMFWYMGWENZYJU-CQSZACIVSA-N 0 3 319.449 2.376 20 30 DEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000841178330 650448610 /nfs/dbraw/zinc/44/86/10/650448610.db2.gz GLYSLSRECWJDCV-UPJWGTAASA-N 0 3 302.378 2.192 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2[nH]c3ccccc3c2C#N)CN1C1CC1 ZINC000896899450 639039791 /nfs/dbraw/zinc/03/97/91/639039791.db2.gz SBESKKZHGGWKLR-NEPJUHHUSA-N 0 3 308.385 2.395 20 30 DEEDHN COc1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000752154471 639159460 /nfs/dbraw/zinc/15/94/60/639159460.db2.gz GLPJNZNZLNLMCJ-LLVKDONJSA-N 0 3 306.325 2.467 20 30 DEEDHN CCc1nc(C)c(CN(C)C2CCN(C(=O)[C@H](C)C#N)CC2)o1 ZINC000985338380 639291729 /nfs/dbraw/zinc/29/17/29/639291729.db2.gz HIYHYQKINLLPQF-GFCCVEGCSA-N 0 3 318.421 2.128 20 30 DEEDHN [NH2+]=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc2c(c1)CCC2 ZINC000262522437 639429378 /nfs/dbraw/zinc/42/93/78/639429378.db2.gz NZWRESUNVAHSKN-UHFFFAOYSA-N 0 3 324.310 2.239 20 30 DEEDHN [NH2+]=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc2c(c1)CCC2 ZINC000262522437 639429381 /nfs/dbraw/zinc/42/93/81/639429381.db2.gz NZWRESUNVAHSKN-UHFFFAOYSA-N 0 3 324.310 2.239 20 30 DEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CCC1 ZINC000985846442 639662784 /nfs/dbraw/zinc/66/27/84/639662784.db2.gz YVYXDRWCBPYNFM-ABAIWWIYSA-N 0 3 303.431 2.499 20 30 DEEDHN CC(=O)N1CCC(CN(C)Cc2cc(C#N)ccc2F)CC1 ZINC001029922602 639818260 /nfs/dbraw/zinc/81/82/60/639818260.db2.gz UHPSLSQVVAKPSA-UHFFFAOYSA-N 0 3 303.381 2.388 20 30 DEEDHN C#CCNC(=S)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000758218000 639929685 /nfs/dbraw/zinc/92/96/85/639929685.db2.gz WKGISCIGNVYEKO-INIZCTEOSA-N 0 3 301.459 2.229 20 30 DEEDHN Cc1nocc1CN(C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029964992 639936363 /nfs/dbraw/zinc/93/63/63/639936363.db2.gz HJEVVQLQEACNGT-UHFFFAOYSA-N 0 3 315.417 2.067 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3cnn(C)c3)[C@H]2C)CC1 ZINC000986854076 640000535 /nfs/dbraw/zinc/00/05/35/640000535.db2.gz MNSHOIKSRXZSSH-RHSMWYFYSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC000988928270 640689561 /nfs/dbraw/zinc/68/95/61/640689561.db2.gz NFIJEQBZOCOYQB-ZJUUUORDSA-N 0 3 314.216 2.158 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ocnc2-c2ccccc2)C1 ZINC000988941355 640693900 /nfs/dbraw/zinc/69/39/00/640693900.db2.gz NKSPJPSSFRGWAO-ZFWWWQNUSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc3cc(F)ccc23)C1 ZINC000989072581 640717780 /nfs/dbraw/zinc/71/77/80/640717780.db2.gz DSROHGYHAHDTRF-WCQYABFASA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC000989163205 640741006 /nfs/dbraw/zinc/74/10/06/640741006.db2.gz QOSQXEKBLMIZOM-ZBFHGGJFSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000989258619 640769606 /nfs/dbraw/zinc/76/96/06/640769606.db2.gz IZTVLMXXDHBRBW-NEPJUHHUSA-N 0 3 315.398 2.229 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC000989281810 640776670 /nfs/dbraw/zinc/77/66/70/640776670.db2.gz SFIWLOPXHWMSQL-OCCSQVGLSA-N 0 3 311.385 2.002 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2oc3ccccc3c2OC)C1 ZINC000989303607 640782244 /nfs/dbraw/zinc/78/22/44/640782244.db2.gz RHOORUKYOOOTHL-QWHCGFSZSA-N 0 3 312.369 2.267 20 30 DEEDHN C[C@H](NCc1ccc(CC(N)=O)cc1)c1ccc(OCC#N)cc1 ZINC000729685613 640826908 /nfs/dbraw/zinc/82/69/08/640826908.db2.gz CPEVMHUFHVXMST-AWEZNQCLSA-N 0 3 323.396 2.468 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC000989379945 640832962 /nfs/dbraw/zinc/83/29/62/640832962.db2.gz KQXJZPMFRTZTDS-HIFRSBDPSA-N 0 3 309.413 2.231 20 30 DEEDHN Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898149988 641037436 /nfs/dbraw/zinc/03/74/36/641037436.db2.gz LKMJTQKRDDSLLX-OAHLLOKOSA-N 0 3 323.400 2.039 20 30 DEEDHN C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441361 641080854 /nfs/dbraw/zinc/08/08/54/641080854.db2.gz KDVLQQJFIYNRSC-KRWDZBQOSA-N 0 3 310.353 2.322 20 30 DEEDHN C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441361 641080858 /nfs/dbraw/zinc/08/08/58/641080858.db2.gz KDVLQQJFIYNRSC-KRWDZBQOSA-N 0 3 310.353 2.322 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ncc(Cl)cc2Cl)C1 ZINC000989605103 641166224 /nfs/dbraw/zinc/16/62/24/641166224.db2.gz IJMYLGWTVQFVOS-KOLCDFICSA-N 0 3 312.200 2.214 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc3ccc(F)cc23)C1 ZINC000989726894 641211081 /nfs/dbraw/zinc/21/10/81/641211081.db2.gz QFBZEYJBNHQRMP-YPMHNXCESA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)COc2ccccc2C(C)C)C1 ZINC000989764122 641219997 /nfs/dbraw/zinc/21/99/97/641219997.db2.gz XKMXUUMQHCXKGB-HOTGVXAUSA-N 0 3 314.429 2.401 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCn2ccc3ccccc32)C1 ZINC000989767015 641221598 /nfs/dbraw/zinc/22/15/98/641221598.db2.gz YRBDKJJWZJYNEI-DOTOQJQBSA-N 0 3 309.413 2.244 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000989770957 641224102 /nfs/dbraw/zinc/22/41/02/641224102.db2.gz UAMLXMKQXGBPHD-ZWKOTPCHSA-N 0 3 314.404 2.487 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000989777940 641226692 /nfs/dbraw/zinc/22/66/92/641226692.db2.gz NGGAVPGWHWCGKN-INIZCTEOSA-N 0 3 304.438 2.171 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC000989838895 641247740 /nfs/dbraw/zinc/24/77/40/641247740.db2.gz 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/nfs/dbraw/zinc/47/71/28/641477128.db2.gz PQKOXCJPASUKME-UHFFFAOYSA-N 0 3 314.389 2.361 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000730112918 641479121 /nfs/dbraw/zinc/47/91/21/641479121.db2.gz NLDHPJVTNNOHDU-SNVBAGLBSA-N 0 3 306.237 2.130 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3nccc(C)n3)CCC[C@@H]12 ZINC000990413929 641480757 /nfs/dbraw/zinc/48/07/57/641480757.db2.gz DFLIMOIYGCLGNS-RHSMWYFYSA-N 0 3 300.406 2.088 20 30 DEEDHN COC(=O)CCN1CCC(N=Nc2nccnc2C(C)C)CC1 ZINC000773091803 641728278 /nfs/dbraw/zinc/72/82/78/641728278.db2.gz XKYHHNBNKORLKK-UHFFFAOYSA-N 0 3 319.409 2.027 20 30 DEEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cnn(C)c1 ZINC000842288431 650694674 /nfs/dbraw/zinc/69/46/74/650694674.db2.gz JLSDHSPWDVFKGC-IUODEOHRSA-N 0 3 316.405 2.071 20 30 DEEDHN CC#CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105227 641936636 /nfs/dbraw/zinc/93/66/36/641936636.db2.gz VQUGJXWCTXTXPO-KRWDZBQOSA-N 0 3 316.449 2.020 20 30 DEEDHN C#C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCCO1 ZINC000775435212 642044261 /nfs/dbraw/zinc/04/42/61/642044261.db2.gz UHCCANNXTZVGPY-HZPDHXFCSA-N 0 3 301.390 2.051 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccccc1C)[C@H]1CCCO1 ZINC000775571514 642060740 /nfs/dbraw/zinc/06/07/40/642060740.db2.gz HXKNZFDBNFJCMY-HLLBOEOZSA-N 0 3 300.402 2.483 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCCN1CCOCC1 ZINC000778150501 642343356 /nfs/dbraw/zinc/34/33/56/642343356.db2.gz DTCKNGLDTKMKEO-UHFFFAOYSA-N 0 3 322.836 2.164 20 30 DEEDHN CCN(CCNC(=O)/C=C/C(=O)c1ccc(C)cc1)C1CC1 ZINC000900554817 642399287 /nfs/dbraw/zinc/39/92/87/642399287.db2.gz YQJMXKJNJOFVOB-ZHACJKMWSA-N 0 3 300.402 2.334 20 30 DEEDHN CN(C)CCn1nccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000900722874 642453507 /nfs/dbraw/zinc/45/35/07/642453507.db2.gz KWCUAXMWNVHFCL-KRWDZBQOSA-N 0 3 317.437 2.037 20 30 DEEDHN COC(=O)[C@H](NCCN1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000901683209 642752302 /nfs/dbraw/zinc/75/23/02/642752302.db2.gz AIXARLWASLAGRV-MRXNPFEDSA-N 0 3 315.417 2.094 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990911694 642811919 /nfs/dbraw/zinc/81/19/19/642811919.db2.gz TUPABVYNEKPUKZ-IEBWSBKVSA-N 0 3 311.429 2.449 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000782060917 642818852 /nfs/dbraw/zinc/81/88/52/642818852.db2.gz HNXBGYPMYJJEME-DLBZAZTESA-N 0 3 300.333 2.054 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)[nH]nc3Cl)CCC[C@H]12 ZINC000990971890 642965002 /nfs/dbraw/zinc/96/50/02/642965002.db2.gz FKVXITRMSYSGMP-NHYWBVRUSA-N 0 3 308.813 2.284 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C4CC4)n(C)n3)CCC[C@H]12 ZINC000990973325 642967901 /nfs/dbraw/zinc/96/79/01/642967901.db2.gz MJJDZLNUWHKIGV-WMZOPIPTSA-N 0 3 314.433 2.210 20 30 DEEDHN C[C@@H](NCC(C)(C)C1(O)CCOCC1)c1cc(C#N)ccn1 ZINC000903023146 643229291 /nfs/dbraw/zinc/22/92/91/643229291.db2.gz NRJKQEYBJPIXHN-CYBMUJFWSA-N 0 3 303.406 2.172 20 30 DEEDHN C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000785710581 643266459 /nfs/dbraw/zinc/26/64/59/643266459.db2.gz YYSIXEXZCSDUMT-CQSZACIVSA-N 0 3 316.401 2.130 20 30 DEEDHN C=CCC[C@H](NCCS(=O)(=O)NC)c1cccc(Cl)c1 ZINC000903157903 643270936 /nfs/dbraw/zinc/27/09/36/643270936.db2.gz OXGOOKCKCQFBBM-AWEZNQCLSA-N 0 3 316.854 2.486 20 30 DEEDHN C[C@H](N[C@H]1CCCN2CCSC[C@@H]12)c1cc(C#N)ccn1 ZINC000903272931 643307300 /nfs/dbraw/zinc/30/73/00/643307300.db2.gz RUZKCCAFYIICCY-NOLJZWGESA-N 0 3 302.447 2.184 20 30 DEEDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(C#N)cc1 ZINC000903398500 643343982 /nfs/dbraw/zinc/34/39/82/643343982.db2.gz SJDHMKICNKWCCW-HZPDHXFCSA-N 0 3 323.400 2.373 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000903400883 643344875 /nfs/dbraw/zinc/34/48/75/643344875.db2.gz YHHHLCJPUSDGIP-ILXRZTDVSA-N 0 3 302.422 2.485 20 30 DEEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786510688 643376660 /nfs/dbraw/zinc/37/66/60/643376660.db2.gz GXBFMNLSBUWGLD-LLVKDONJSA-N 0 3 319.311 2.230 20 30 DEEDHN CO[C@@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786537974 643381574 /nfs/dbraw/zinc/38/15/74/643381574.db2.gz SSQJICLJKZUOKN-GWCFXTLKSA-N 0 3 308.765 2.090 20 30 DEEDHN CO[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568618 643385884 /nfs/dbraw/zinc/38/58/84/643385884.db2.gz IFIHWTIYWFBVAT-JQWIXIFHSA-N 0 3 324.327 2.105 20 30 DEEDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1(C#N)CCC1 ZINC000786785275 643408972 /nfs/dbraw/zinc/40/89/72/643408972.db2.gz LUSMVSVQJPTVQC-UONOGXRCSA-N 0 3 314.433 2.354 20 30 DEEDHN C=CCCC[C@H]1NC(=O)N(CCN(C)Cc2ccccc2)C1=O ZINC000904152600 643587690 /nfs/dbraw/zinc/58/76/90/643587690.db2.gz UDWAWUIJESBSKL-MRXNPFEDSA-N 0 3 315.417 2.395 20 30 DEEDHN COc1ccc(C(C)=NN[C@H]2CCOC2)cc1CN1CCCC1 ZINC000788452655 643610361 /nfs/dbraw/zinc/61/03/61/643610361.db2.gz QVSHGRBZIVDMBM-KRWDZBQOSA-N 0 3 317.433 2.394 20 30 DEEDHN Cc1cccnc1[C@H](NC[C@H](O)CN(C)CCC#N)C(C)(C)C ZINC000905670956 643998996 /nfs/dbraw/zinc/99/89/96/643998996.db2.gz MOIBCCWXBJSSNJ-RDJZCZTQSA-N 0 3 318.465 2.273 20 30 DEEDHN Cc1cccnc1[C@H](NC[C@@H](O)CN(C)CCC#N)C(C)(C)C ZINC000905670958 643999432 /nfs/dbraw/zinc/99/94/32/643999432.db2.gz MOIBCCWXBJSSNJ-WBVHZDCISA-N 0 3 318.465 2.273 20 30 DEEDHN CC(C)[C@H](NC[C@@H](O)c1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000843090244 650891115 /nfs/dbraw/zinc/89/11/15/650891115.db2.gz VOGQOSVOSODZOA-RDBSUJKOSA-N 0 3 316.323 2.129 20 30 DEEDHN C[C@H](C#N)OCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792885399 644164808 /nfs/dbraw/zinc/16/48/08/644164808.db2.gz SDJPIKXTLXFXSC-CYBMUJFWSA-N 0 3 309.360 2.406 20 30 DEEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000793107447 644192388 /nfs/dbraw/zinc/19/23/88/644192388.db2.gz DWZZPMDTOIAWKH-UHFFFAOYSA-N 0 3 322.412 2.200 20 30 DEEDHN C#CCN(C(=O)c1c(F)ccc(C)c1F)C1CCN(C)CC1 ZINC000906452297 644254885 /nfs/dbraw/zinc/25/48/85/644254885.db2.gz QDBWVKYYYOBGDK-UHFFFAOYSA-N 0 3 306.356 2.443 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)nc1 ZINC000793513151 644264438 /nfs/dbraw/zinc/26/44/38/644264438.db2.gz ACEBJTWSZIORGD-GOSISDBHSA-N 0 3 323.396 2.104 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)[C@]2(C#N)CC3CCC2CC3)CN1C1CC1 ZINC000906941268 644393249 /nfs/dbraw/zinc/39/32/49/644393249.db2.gz NDEHUKLPPACXEZ-QGHCWDTNSA-N 0 3 301.434 2.448 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@@H]1N(C)C ZINC000907146471 644461907 /nfs/dbraw/zinc/46/19/07/644461907.db2.gz LRVYENBRJKMDAR-GHSKHGPUSA-N 0 3 321.490 2.210 20 30 DEEDHN Cc1ccccc1[C@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000794830974 644481629 /nfs/dbraw/zinc/48/16/29/644481629.db2.gz AVNNVDUFGAOESS-FUHWJXTLSA-N 0 3 323.396 2.448 20 30 DEEDHN COC(=O)C[C@](C)(NCCO[C@@H](C)C#N)c1cccc(F)c1 ZINC000796497690 644745537 /nfs/dbraw/zinc/74/55/37/644745537.db2.gz OCQYPEFUYMKKFN-LRDDRELGSA-N 0 3 308.353 2.122 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3cnc(C4CC4)o3)CCC[C@H]12 ZINC000991101606 644767670 /nfs/dbraw/zinc/76/76/70/644767670.db2.gz YNWWWYUMKFXFIO-YJBOKZPZSA-N 0 3 313.401 2.302 20 30 DEEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000796631716 644767827 /nfs/dbraw/zinc/76/78/27/644767827.db2.gz ILVKOICCNUAJBT-NOLJZWGESA-N 0 3 302.374 2.073 20 30 DEEDHN Cc1cncc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000796774501 644790557 /nfs/dbraw/zinc/79/05/57/644790557.db2.gz HDVNRNXRJDKYCS-AWEZNQCLSA-N 0 3 308.341 2.065 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796770212 644791030 /nfs/dbraw/zinc/79/10/30/644791030.db2.gz BIOPHFHMPRDPLS-XHSDSOJGSA-N 0 3 314.385 2.042 20 30 DEEDHN N#CC(C(=O)COC(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000796779739 644791762 /nfs/dbraw/zinc/79/17/62/644791762.db2.gz NDWUIKSZQPPMGL-VIFPVBQESA-N 0 3 302.664 2.227 20 30 DEEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C1(S(C)(=O)=O)CC1 ZINC000797071331 644833995 /nfs/dbraw/zinc/83/39/95/644833995.db2.gz RKJJDFTYBZJHHZ-QWHCGFSZSA-N 0 3 322.430 2.205 20 30 DEEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797567372 644895973 /nfs/dbraw/zinc/89/59/73/644895973.db2.gz HGPKXSVILWMCBU-DTWKUNHWSA-N 0 3 309.391 2.361 20 30 DEEDHN C#C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(C)C 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CC#CCN1CC[C@H](NC(=O)c2c(C)nsc2C)[C@@H](C)C1 ZINC000945220002 649630978 /nfs/dbraw/zinc/63/09/78/649630978.db2.gz FKPNBZLESGVHNY-FZMZJTMJSA-N 0 3 305.447 2.223 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](C)C1 ZINC000945223804 649631541 /nfs/dbraw/zinc/63/15/41/649631541.db2.gz QQGZFERVMAANNV-FKZADTEYSA-N 0 3 300.446 2.128 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCSC3(CCC3)C2)CC1 ZINC000834753547 649840378 /nfs/dbraw/zinc/84/03/78/649840378.db2.gz UOBYXGWDUBIEEU-OAHLLOKOSA-N 0 3 306.475 2.266 20 30 DEEDHN C=C[C@H](C)ONC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000844286195 651104520 /nfs/dbraw/zinc/10/45/20/651104520.db2.gz TVXHLAZQOBAUQF-ZDUSSCGKSA-N 0 3 313.467 2.153 20 30 DEEDHN C=C[C@H](C)ONC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000844490344 651135762 /nfs/dbraw/zinc/13/57/62/651135762.db2.gz NBXLWZWRYFIRKD-AWEZNQCLSA-N 0 3 318.421 2.456 20 30 DEEDHN C=C(C)CONC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000845605131 651259553 /nfs/dbraw/zinc/25/95/53/651259553.db2.gz 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C[C@H](C#N)OCCN1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856814381 651991151 /nfs/dbraw/zinc/99/11/51/651991151.db2.gz CONWKDOLCGSZND-JKIFEVAISA-N 0 3 323.437 2.294 20 30 DEEDHN C#CC[C@@H](NCCn1cnc(Br)n1)c1ccccc1 ZINC000851900234 652275154 /nfs/dbraw/zinc/27/51/54/652275154.db2.gz BLKGBDCRAWTLGC-CYBMUJFWSA-N 0 3 319.206 2.395 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851988662 652303163 /nfs/dbraw/zinc/30/31/63/652303163.db2.gz BOCWASUVOGYBLI-UONOGXRCSA-N 0 3 308.422 2.108 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1CCC2(CC2(F)F)CC1 ZINC000852359827 652391287 /nfs/dbraw/zinc/39/12/87/652391287.db2.gz OFZMPYYVELWWHI-UHFFFAOYSA-N 0 3 313.392 2.209 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000853598751 652576549 /nfs/dbraw/zinc/57/65/49/652576549.db2.gz WAZCCIQZTHJUET-SOLBZPMBSA-N 0 3 317.433 2.044 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000854077227 652638248 /nfs/dbraw/zinc/63/82/48/652638248.db2.gz 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/nfs/dbraw/zinc/78/41/61/693784161.db2.gz NQULITOXDIVRPQ-FZMZJTMJSA-N 0 3 312.373 2.073 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113653028 684061963 /nfs/dbraw/zinc/06/19/63/684061963.db2.gz CXSDYLGOPNGVTK-GXSJLCMTSA-N 0 3 324.739 2.257 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1cccs1 ZINC000121602629 684107590 /nfs/dbraw/zinc/10/75/90/684107590.db2.gz JFTGDZVTKPTZHI-STQMWFEESA-N 0 3 322.430 2.492 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cncc(C)c1 ZINC000132003174 684204410 /nfs/dbraw/zinc/20/44/10/684204410.db2.gz KQUKUOARYDWIFV-ZDUSSCGKSA-N 0 3 309.325 2.360 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCSc1nc2ccccc2s1 ZINC000133432955 684219605 /nfs/dbraw/zinc/21/96/05/684219605.db2.gz NBNIMSUGQVSGAI-SECBINFHSA-N 0 3 319.411 2.233 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000133513317 684220554 /nfs/dbraw/zinc/22/05/54/684220554.db2.gz JIYNAAKJGVWTLJ-SMDDNHRTSA-N 0 3 302.374 2.206 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCOC1)C2 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CCCCCNC(=O)C(C#N)C(=O)Cc1ccccc1OC ZINC000193370519 685038758 /nfs/dbraw/zinc/03/87/58/685038758.db2.gz DGMQSHIXRQFAIR-AWEZNQCLSA-N 0 3 302.374 2.253 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054316290 693926554 /nfs/dbraw/zinc/92/65/54/693926554.db2.gz QXJUULNQLJFRQZ-IAQYHMDHSA-N 0 3 321.371 2.382 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)OC)cc1Cl ZINC000195492355 685100399 /nfs/dbraw/zinc/10/03/99/685100399.db2.gz ARZPXCJVWFEGNL-ONGXEEELSA-N 0 3 324.764 2.421 20 30 DEEDHN C=C1CN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000929349093 693941510 /nfs/dbraw/zinc/94/15/10/693941510.db2.gz ZUDUUQTUBOCIBC-UHFFFAOYSA-N 0 3 300.406 2.232 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000860012058 685870762 /nfs/dbraw/zinc/87/07/62/685870762.db2.gz OYXVTEUTHJPOQF-DYVFJYSZSA-N 0 3 311.429 2.435 20 30 DEEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000860452295 685928575 /nfs/dbraw/zinc/92/85/75/685928575.db2.gz VLCUTSBTCSYWSN-MFKMUULPSA-N 0 3 301.371 2.243 20 30 DEEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000860467339 685930510 /nfs/dbraw/zinc/93/05/10/685930510.db2.gz JWUNSRHZJGDMMI-CABCVRRESA-N 0 3 302.374 2.217 20 30 DEEDHN CCOc1cccc(CCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000860472452 685931437 /nfs/dbraw/zinc/93/14/37/685931437.db2.gz ABCLXSUWMMEUAS-OAHLLOKOSA-N 0 3 302.374 2.251 20 30 DEEDHN N#Cc1cc(Cl)cc(CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000929714764 694011960 /nfs/dbraw/zinc/01/19/60/694011960.db2.gz OFIDEAXYOXVTLW-CQSZACIVSA-N 0 3 319.836 2.366 20 30 DEEDHN C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054676907 694022200 /nfs/dbraw/zinc/02/22/00/694022200.db2.gz HWBDSKPWNCVNBF-NHYWBVRUSA-N 0 3 314.414 2.198 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001375548879 1158809700 /nfs/dbraw/zinc/80/97/00/1158809700.db2.gz KLIYTDSBXJSCJY-MGPQQGTHSA-N 0 3 310.829 2.071 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001015756069 687409817 /nfs/dbraw/zinc/40/98/17/687409817.db2.gz VNFRHIIQISPEQT-OAHLLOKOSA-N 0 3 313.376 2.063 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001015760243 687411656 /nfs/dbraw/zinc/41/16/56/687411656.db2.gz OGSBCVYRDLXXHE-NSHDSACASA-N 0 3 313.323 2.481 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001015815297 687430419 /nfs/dbraw/zinc/43/04/19/687430419.db2.gz VLPKEAYUYHHWJY-HNNXBMFYSA-N 0 3 303.406 2.120 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001015831734 687436445 /nfs/dbraw/zinc/43/64/45/687436445.db2.gz DNXRDCMGWZTPQJ-MRXNPFEDSA-N 0 3 309.413 2.164 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001015886426 687452400 /nfs/dbraw/zinc/45/24/00/687452400.db2.gz CRQQPBLHJIFWLD-AWEZNQCLSA-N 0 3 306.793 2.176 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001015886526 687452883 /nfs/dbraw/zinc/45/28/83/687452883.db2.gz KHXBCFOJALWVJL-AWEZNQCLSA-N 0 3 315.417 2.046 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3nsnc32)C1 ZINC001015928304 687468653 /nfs/dbraw/zinc/46/86/53/687468653.db2.gz YKJSCOHRDNXXDV-LLVKDONJSA-N 0 3 302.403 2.072 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001015929115 687468921 /nfs/dbraw/zinc/46/89/21/687468921.db2.gz PIPQELDOJHLVRP-STQMWFEESA-N 0 3 303.406 2.180 20 30 DEEDHN CN1CCN(C2CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000866214161 687495805 /nfs/dbraw/zinc/49/58/05/687495805.db2.gz LBJYCDIOJPZYMB-UHFFFAOYSA-N 0 3 318.852 2.428 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016092218 687522506 /nfs/dbraw/zinc/52/25/06/687522506.db2.gz KNBXQQBUHBYMEF-APWZRJJASA-N 0 3 310.441 2.395 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001016130337 687531842 /nfs/dbraw/zinc/53/18/42/687531842.db2.gz GQINUZFXDTUYNJ-DOTOQJQBSA-N 0 3 300.402 2.415 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)Cc2ccsc2)CC1 ZINC001016488867 687636343 /nfs/dbraw/zinc/63/63/43/687636343.db2.gz JCUQJKSZKFFCDV-HNNXBMFYSA-N 0 3 302.443 2.285 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2conc2C(C)C)CC1 ZINC001016656228 687675388 /nfs/dbraw/zinc/67/53/88/687675388.db2.gz BCRCNUPGYZQPKJ-CQSZACIVSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3nc(C)oc3c2)CC1 ZINC001016668364 687678912 /nfs/dbraw/zinc/67/89/12/687678912.db2.gz VQARLVIRIYACAY-QGZVFWFLSA-N 0 3 323.396 2.354 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccccc2COC)CC1 ZINC001016711383 687688031 /nfs/dbraw/zinc/68/80/31/687688031.db2.gz WKSHTWYWGJKBFK-QGZVFWFLSA-N 0 3 312.413 2.051 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(F)cc(C)cc2F)CC1 ZINC001016721578 687690538 /nfs/dbraw/zinc/69/05/38/687690538.db2.gz LHJNESUHOGQNQD-OAHLLOKOSA-N 0 3 318.367 2.491 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2nccc3occc32)CC1 ZINC001016747514 687694324 /nfs/dbraw/zinc/69/43/24/687694324.db2.gz XCEGAFHOUDLZAQ-INIZCTEOSA-N 0 3 323.396 2.435 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3ccccc3n2C)CC1 ZINC001016796348 687705064 /nfs/dbraw/zinc/70/50/64/687705064.db2.gz 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C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001019233224 688303529 /nfs/dbraw/zinc/30/35/29/688303529.db2.gz JJQZHJZDEIPLSH-HNNXBMFYSA-N 0 3 302.422 2.078 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019407838 688348613 /nfs/dbraw/zinc/34/86/13/688348613.db2.gz YPCCXDASKKDPKU-ZNMIVQPWSA-N 0 3 306.431 2.030 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)Cc3ccco3)C2)s1 ZINC001019545428 688372916 /nfs/dbraw/zinc/37/29/16/688372916.db2.gz QLWSNJAFBHXOJI-LBPRGKRZSA-N 0 3 315.398 2.146 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3ccsc3)C2)nc1 ZINC001019676936 688389171 /nfs/dbraw/zinc/38/91/71/688389171.db2.gz LDUQDASDCNRCTN-HNNXBMFYSA-N 0 3 311.410 2.129 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(-c3cccs3)o2)C1 ZINC001019722763 688400422 /nfs/dbraw/zinc/40/04/22/688400422.db2.gz QALOIYSMUYWBJS-LBPRGKRZSA-N 0 3 300.383 2.445 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001019734402 688403553 /nfs/dbraw/zinc/40/35/53/688403553.db2.gz CVFBNBYDMHHGBE-STQMWFEESA-N 0 3 302.443 2.310 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001020225753 688487629 /nfs/dbraw/zinc/48/76/29/688487629.db2.gz XBFHHHXJJPCBRM-AAVRWANBSA-N 0 3 300.830 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001020225756 688487738 /nfs/dbraw/zinc/48/77/38/688487738.db2.gz XBFHHHXJJPCBRM-XUXIUFHCSA-N 0 3 300.830 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC001020249074 688490786 /nfs/dbraw/zinc/49/07/86/688490786.db2.gz HBWXZNWFSYZLEN-JOCQHMNTSA-N 0 3 316.792 2.233 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2COC)C1 ZINC001020346496 688506886 /nfs/dbraw/zinc/50/68/86/688506886.db2.gz IIDALJXXVPWCIC-HDJSIYSDSA-N 0 3 308.809 2.436 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001028997824 688548279 /nfs/dbraw/zinc/54/82/79/688548279.db2.gz DSEYJIWVDTVIAF-OAHLLOKOSA-N 0 3 312.413 2.303 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CNCc3ccccc31)C2 ZINC000871012527 688709951 /nfs/dbraw/zinc/70/99/51/688709951.db2.gz XEMDMMJSLQZBNQ-MJGOQNOKSA-N 0 3 317.392 2.029 20 30 DEEDHN C[C@H](c1ccccc1)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031624564 688966162 /nfs/dbraw/zinc/96/61/62/688966162.db2.gz YHPILCLPGUWZLR-CYBMUJFWSA-N 0 3 308.385 2.309 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cnoc2-c2ccco2)C1 ZINC001031778968 688995550 /nfs/dbraw/zinc/99/55/50/688995550.db2.gz GZGMQPUSBANECE-UHFFFAOYSA-N 0 3 301.346 2.172 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001031801745 688999827 /nfs/dbraw/zinc/99/98/27/688999827.db2.gz GAOVYNAXFJQPBI-KBPBESRZSA-N 0 3 316.367 2.426 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)c1 ZINC001031963003 689032295 /nfs/dbraw/zinc/03/22/95/689032295.db2.gz AOIYDCOIYRBRGW-HNNXBMFYSA-N 0 3 319.408 2.486 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(C)C ZINC001032423194 689147168 /nfs/dbraw/zinc/14/71/68/689147168.db2.gz ZMJPXPCWMWRAJZ-GJZGRUSLSA-N 0 3 302.422 2.329 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2ccccc2n1 ZINC001032480952 689163401 /nfs/dbraw/zinc/16/34/01/689163401.db2.gz GSZVXDUZAPSAGL-IRXDYDNUSA-N 0 3 324.428 2.128 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2[nH]ccc21 ZINC001032499150 689168965 /nfs/dbraw/zinc/16/89/65/689168965.db2.gz OHYXIAJASUIQFY-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001032523989 689176801 /nfs/dbraw/zinc/17/68/01/689176801.db2.gz OOQOAUWTRHGPRJ-HOTGVXAUSA-N 0 3 315.417 2.215 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032637116 689208053 /nfs/dbraw/zinc/20/80/53/689208053.db2.gz BUWSDFCBOIHGLF-FJIDUMEYSA-N 0 3 318.461 2.443 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)nc1 ZINC001032737977 689242370 /nfs/dbraw/zinc/24/23/70/689242370.db2.gz LADRZBUHMPJGIO-HOTGVXAUSA-N 0 3 311.429 2.398 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(F)c1 ZINC001032780556 689258869 /nfs/dbraw/zinc/25/88/69/689258869.db2.gz PTQOUOLFOLZGCU-GJZGRUSLSA-N 0 3 304.365 2.066 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ncccc12 ZINC001032789902 689260885 /nfs/dbraw/zinc/26/08/85/689260885.db2.gz MDKJDJVGKMEHDY-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001033083385 689381382 /nfs/dbraw/zinc/38/13/82/689381382.db2.gz JPMVHYXHANJUGQ-QWHCGFSZSA-N 0 3 322.840 2.115 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001033121404 689396184 /nfs/dbraw/zinc/39/61/84/689396184.db2.gz HODSYUGIXGVXTF-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001033198600 689422021 /nfs/dbraw/zinc/42/20/21/689422021.db2.gz XMGHQFVOJLIVKY-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(CCOC)C1 ZINC001033204067 689425003 /nfs/dbraw/zinc/42/50/03/689425003.db2.gz PAGYYEDEFJXPOD-OAHLLOKOSA-N 0 3 318.417 2.044 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001033248430 689438191 /nfs/dbraw/zinc/43/81/91/689438191.db2.gz NRAQPBZXTQVABH-WBVHZDCISA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cccc3ncccc23)C1 ZINC001033254365 689439632 /nfs/dbraw/zinc/43/96/32/689439632.db2.gz CBDFTNLAOJFCFQ-QGZVFWFLSA-N 0 3 321.424 2.333 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001033320787 689461251 /nfs/dbraw/zinc/46/12/51/689461251.db2.gz WXYLSBQRHRDIKC-UONOGXRCSA-N 0 3 319.405 2.249 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001033372914 689480359 /nfs/dbraw/zinc/48/03/59/689480359.db2.gz LAAHWYLQZXBMPW-INIZCTEOSA-N 0 3 311.429 2.440 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)C1 ZINC001033418371 689494191 /nfs/dbraw/zinc/49/41/91/689494191.db2.gz AFGBCWOIFLBOPS-AWEZNQCLSA-N 0 3 313.873 2.004 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000874828927 689504645 /nfs/dbraw/zinc/50/46/45/689504645.db2.gz YWFMFKYEJWAVRK-QZTJIDSGSA-N 0 3 312.413 2.397 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2n1CC#N ZINC000874841287 689513725 /nfs/dbraw/zinc/51/37/25/689513725.db2.gz UTLMGLZDLGYILF-IRXDYDNUSA-N 0 3 322.412 2.474 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001033477006 689515776 /nfs/dbraw/zinc/51/57/76/689515776.db2.gz ZTCMIEIZMFNRJQ-AWEZNQCLSA-N 0 3 323.396 2.110 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033496252 689521305 /nfs/dbraw/zinc/52/13/05/689521305.db2.gz XGACCDQMHLDEEP-QGZVFWFLSA-N 0 3 300.402 2.439 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(CCC)nc2C)C1 ZINC001033530564 689533986 /nfs/dbraw/zinc/53/39/86/689533986.db2.gz CPZKUSHKNZWVBI-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001033566809 689545593 /nfs/dbraw/zinc/54/55/93/689545593.db2.gz SQQXQJWCKSFCMU-CQSZACIVSA-N 0 3 302.422 2.011 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001033566809 689545594 /nfs/dbraw/zinc/54/55/94/689545594.db2.gz SQQXQJWCKSFCMU-CQSZACIVSA-N 0 3 302.422 2.011 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001033574834 689548737 /nfs/dbraw/zinc/54/87/37/689548737.db2.gz CHFPUTUVGHBOHP-SFHVURJKSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sc(COC)nc2C)C1 ZINC001033626829 689564629 /nfs/dbraw/zinc/56/46/29/689564629.db2.gz FWOXBGJACXWYFN-ZDUSSCGKSA-N 0 3 323.462 2.320 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000875060515 689565162 /nfs/dbraw/zinc/56/51/62/689565162.db2.gz NVGUZMRKIOVURL-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033629063 689565558 /nfs/dbraw/zinc/56/55/58/689565558.db2.gz MJBCPGGZAURBDN-MRXNPFEDSA-N 0 3 304.821 2.439 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(COC)cc2)C1 ZINC001033651131 689572193 /nfs/dbraw/zinc/57/21/93/689572193.db2.gz OODNYUSVYKWWJI-KRWDZBQOSA-N 0 3 300.402 2.003 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001033667512 689577860 /nfs/dbraw/zinc/57/78/60/689577860.db2.gz MUSIMBZCCCWHTI-AWEZNQCLSA-N 0 3 324.856 2.262 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001033692799 689585358 /nfs/dbraw/zinc/58/53/58/689585358.db2.gz ZDKHJTBGHIHAHS-CYBMUJFWSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001033877673 689647806 /nfs/dbraw/zinc/64/78/06/689647806.db2.gz CORPUFTZMUCEPM-CVEARBPZSA-N 0 3 316.449 2.259 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2occ3c2CCC3)C1 ZINC001033915550 689660058 /nfs/dbraw/zinc/66/00/58/689660058.db2.gz GIXONBGCUUBQBM-HNNXBMFYSA-N 0 3 300.402 2.328 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nccc3[nH]ccc32)C1 ZINC001033955777 689672893 /nfs/dbraw/zinc/67/28/93/689672893.db2.gz CWGXHTKCDRMUAI-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001033965388 689675267 /nfs/dbraw/zinc/67/52/67/689675267.db2.gz AIJIIOTYDKVWFD-AWEZNQCLSA-N 0 3 302.422 2.093 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnn(C(F)F)c2)C1 ZINC001033997980 689687495 /nfs/dbraw/zinc/68/74/95/689687495.db2.gz KCPAHDGIDPKILM-ZDUSSCGKSA-N 0 3 312.364 2.391 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc3nc[nH]c32)C1 ZINC001034000525 689688418 /nfs/dbraw/zinc/68/84/18/689688418.db2.gz QETDBSGPXDEISV-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001034016728 689694915 /nfs/dbraw/zinc/69/49/15/689694915.db2.gz NXSKVNYHAMLDHE-CABCVRRESA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001034016728 689694918 /nfs/dbraw/zinc/69/49/18/689694918.db2.gz NXSKVNYHAMLDHE-CABCVRRESA-N 0 3 316.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2COc3ccccc32)C1 ZINC001034057251 689708823 /nfs/dbraw/zinc/70/88/23/689708823.db2.gz STMNPAXJLFHSLN-WBVHZDCISA-N 0 3 312.413 2.109 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228623 689772187 /nfs/dbraw/zinc/77/21/87/689772187.db2.gz GRHURPBFYJYKJY-HOTGVXAUSA-N 0 3 316.449 2.462 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ncnc3ccsc32)C1 ZINC001034238072 689776809 /nfs/dbraw/zinc/77/68/09/689776809.db2.gz ZQLDVSZQGFJNKF-LBPRGKRZSA-N 0 3 316.430 2.462 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001034254990 689783955 /nfs/dbraw/zinc/78/39/55/689783955.db2.gz UPDOOSKRFSSZMU-MRXNPFEDSA-N 0 3 312.417 2.034 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034260830 689785762 /nfs/dbraw/zinc/78/57/62/689785762.db2.gz OPOJJKYXKVAJBQ-INIZCTEOSA-N 0 3 318.465 2.473 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001034266024 689786974 /nfs/dbraw/zinc/78/69/74/689786974.db2.gz MOGWVRZJLDXZOH-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001034276507 689790674 /nfs/dbraw/zinc/79/06/74/689790674.db2.gz GRELIHUHCQTRRY-CQSZACIVSA-N 0 3 307.463 2.459 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001034277802 689791373 /nfs/dbraw/zinc/79/13/73/689791373.db2.gz FPDJCUKAYMDEGB-QGZVFWFLSA-N 0 3 316.449 2.307 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001034295293 689798765 /nfs/dbraw/zinc/79/87/65/689798765.db2.gz DQTFOXGOSMUYOL-IAGOWNOFSA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001034307046 689803558 /nfs/dbraw/zinc/80/35/58/689803558.db2.gz QVQYWRNVFXWCGW-IXDOHACOSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001034362375 689823254 /nfs/dbraw/zinc/82/32/54/689823254.db2.gz AZZQAXYWRXXODI-OAHLLOKOSA-N 0 3 315.417 2.009 20 30 DEEDHN C#C[C@H]1CC[C@H](NC(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000876442218 689831907 /nfs/dbraw/zinc/83/19/07/689831907.db2.gz GORMWWVFLSBSTN-JYJNAYRXSA-N 0 3 303.450 2.304 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001034424288 689845004 /nfs/dbraw/zinc/84/50/04/689845004.db2.gz NDPDPRNDRNGNOD-MRXNPFEDSA-N 0 3 312.413 2.229 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOc1ccccc1F ZINC000876568887 689860422 /nfs/dbraw/zinc/86/04/22/689860422.db2.gz MTZDTQXGTBDCOO-LBPRGKRZSA-N 0 3 300.761 2.133 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2noc(C)n2)CCCCC1 ZINC000876571349 689861463 /nfs/dbraw/zinc/86/14/63/689861463.db2.gz JUKHIKCZHGCLFD-NSHDSACASA-N 0 3 312.801 2.124 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccccc2OC)C1 ZINC001034496360 689873779 /nfs/dbraw/zinc/87/37/79/689873779.db2.gz RUCGJAAKLRHNSS-HNNXBMFYSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001034496290 689873897 /nfs/dbraw/zinc/87/38/97/689873897.db2.gz HJBWPUFHWBWWDM-ZDUSSCGKSA-N 0 3 305.809 2.343 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001034496284 689873949 /nfs/dbraw/zinc/87/39/49/689873949.db2.gz HJBWPUFHWBWWDM-CYBMUJFWSA-N 0 3 305.809 2.343 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000876609017 689874838 /nfs/dbraw/zinc/87/48/38/689874838.db2.gz OQCBMVHZXWEKSE-OLZOCXBDSA-N 0 3 324.808 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001034511919 689880596 /nfs/dbraw/zinc/88/05/96/689880596.db2.gz GFCPETXKWGNSRS-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC001034524041 689884666 /nfs/dbraw/zinc/88/46/66/689884666.db2.gz KPMUEESIUTZEQK-QGZVFWFLSA-N 0 3 315.417 2.415 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000876645402 689886717 /nfs/dbraw/zinc/88/67/17/689886717.db2.gz NJSLPKJLZHVIHE-UONOGXRCSA-N 0 3 312.772 2.196 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001034553344 689897309 /nfs/dbraw/zinc/89/73/09/689897309.db2.gz LHYAVDVMQFDMFT-GOEBONIOSA-N 0 3 304.438 2.070 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000876675501 689897409 /nfs/dbraw/zinc/89/74/09/689897409.db2.gz BYRTZKQIVXANIB-CYBMUJFWSA-N 0 3 309.797 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000876705138 689909667 /nfs/dbraw/zinc/90/96/67/689909667.db2.gz WSNVCSPPGUKPRX-HOTGVXAUSA-N 0 3 322.836 2.317 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000876728339 689917862 /nfs/dbraw/zinc/91/78/62/689917862.db2.gz JNUSLILSOTUIKE-ZDUSSCGKSA-N 0 3 308.813 2.480 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1N1CCCC1 ZINC000876732370 689920075 /nfs/dbraw/zinc/92/00/75/689920075.db2.gz UNEDICULAHUSRI-CQSZACIVSA-N 0 3 307.825 2.373 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000876740317 689923136 /nfs/dbraw/zinc/92/31/36/689923136.db2.gz MKBWHMUDZYNYTI-TZMCWYRMSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000876767129 689931186 /nfs/dbraw/zinc/93/11/86/689931186.db2.gz BVZAUVOEJVUKDO-GHMZBOCLSA-N 0 3 306.797 2.220 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@@H]1c1noc(C)n1 ZINC000876906298 689970130 /nfs/dbraw/zinc/97/01/30/689970130.db2.gz VWIMRVKVYUYJSG-NWDGAFQWSA-N 0 3 312.801 2.292 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)c2ccon2)s1 ZINC001034870140 689973333 /nfs/dbraw/zinc/97/33/33/689973333.db2.gz BFWJUWRPXZCGMT-LLVKDONJSA-N 0 3 316.386 2.002 20 30 DEEDHN CC(C)c1cccc(CNC[C@H]2CCCN2C(=O)[C@@H](C)C#N)n1 ZINC001034886239 689978727 /nfs/dbraw/zinc/97/87/27/689978727.db2.gz HQQMXJNXHPXSBD-GOEBONIOSA-N 0 3 314.433 2.445 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN[C@H](C)c1n[nH]c(CC)n1 ZINC001035013404 690009396 /nfs/dbraw/zinc/00/93/96/690009396.db2.gz BMAQPZGLELCQGN-CHWSQXEVSA-N 0 3 319.453 2.221 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cc(OC)ns1 ZINC001035015935 690010647 /nfs/dbraw/zinc/01/06/47/690010647.db2.gz KGLYEFGETIIDEY-GFCCVEGCSA-N 0 3 323.462 2.445 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001035037578 690017712 /nfs/dbraw/zinc/01/77/12/690017712.db2.gz YWGMIUUZQMYDKH-SJLPKXTDSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CC1(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000931185452 694335291 /nfs/dbraw/zinc/33/52/91/694335291.db2.gz IOKIRCJNGIKWSP-CVEARBPZSA-N 0 3 306.450 2.492 20 30 DEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(OC)c1OC ZINC000877228712 690050598 /nfs/dbraw/zinc/05/05/98/690050598.db2.gz CPDVNLRSTGYYJM-ZIAGYGMSSA-N 0 3 319.405 2.292 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C)oc1C)CC2 ZINC001035650413 690142779 /nfs/dbraw/zinc/14/27/79/690142779.db2.gz SZJXUKJNBJNBST-UHFFFAOYSA-N 0 3 300.402 2.458 20 30 DEEDHN CC(C)=CCN1CC2(C1)CCN(C(=O)c1cc(C#N)c[nH]1)CC2 ZINC001035678544 690149996 /nfs/dbraw/zinc/14/99/96/690149996.db2.gz KCRSHGFJTSDGHH-UHFFFAOYSA-N 0 3 312.417 2.391 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1oc(C)cc1C)CC2 ZINC001035680999 690150501 /nfs/dbraw/zinc/15/05/01/690150501.db2.gz ILXUJNRGLVSYPL-UHFFFAOYSA-N 0 3 300.402 2.458 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CCCCO1)CC2 ZINC001035682322 690150875 /nfs/dbraw/zinc/15/08/75/690150875.db2.gz KBCHFDYCVQPHCU-INIZCTEOSA-N 0 3 306.450 2.446 20 30 DEEDHN C#CCOc1ccc(CNCc2ccc(C(=O)OCC)[nH]2)cc1 ZINC000877569008 690154185 /nfs/dbraw/zinc/15/41/85/690154185.db2.gz XKJIFUDAICXGPD-UHFFFAOYSA-N 0 3 312.369 2.493 20 30 DEEDHN C#Cc1cccc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000877575593 690156971 /nfs/dbraw/zinc/15/69/71/690156971.db2.gz YVHZJQLEJOUYBH-UHFFFAOYSA-N 0 3 320.458 2.008 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](CC)O1)CC2 ZINC001035719383 690160143 /nfs/dbraw/zinc/16/01/43/690160143.db2.gz UWDPQGZDVBXHHZ-HZPDHXFCSA-N 0 3 306.450 2.445 20 30 DEEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)C1(O)CCOCC1 ZINC000877593696 690162322 /nfs/dbraw/zinc/16/23/22/690162322.db2.gz FIIZXPYENZMHFY-UHFFFAOYSA-N 0 3 323.824 2.264 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](OC)C1)CC2 ZINC001035742896 690165681 /nfs/dbraw/zinc/16/56/81/690165681.db2.gz SXBBCOPLQUTUGM-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000877617733 690169326 /nfs/dbraw/zinc/16/93/26/690169326.db2.gz UDWAILDBACQPIM-UPJWGTAASA-N 0 3 322.840 2.194 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)Cc1ccco1)CC2 ZINC001035814303 690183708 /nfs/dbraw/zinc/18/37/08/690183708.db2.gz KZGDEBLTQMMXMH-MRXNPFEDSA-N 0 3 314.429 2.406 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC[C@H]1CCCOC1)CC2 ZINC001035824709 690185779 /nfs/dbraw/zinc/18/57/79/690185779.db2.gz PKOBNBDUMPSGKU-QGZVFWFLSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCOc1ccc(CN2CCCC[C@@H]2CNC(C)=O)cc1 ZINC000877673767 690186172 /nfs/dbraw/zinc/18/61/72/690186172.db2.gz HYOBEWZYYAYOEB-QGZVFWFLSA-N 0 3 300.402 2.189 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@@H](CC)C1)CC2 ZINC001035832494 690188002 /nfs/dbraw/zinc/18/80/02/690188002.db2.gz KCBSLFBVTAQJSE-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1c(C)nsc1C)CC2 ZINC001035859011 690195371 /nfs/dbraw/zinc/19/53/71/690195371.db2.gz ONCMDAIDETZWFX-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN CCC(=O)N1CC[C@H](NCc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001035872007 690199707 /nfs/dbraw/zinc/19/97/07/690199707.db2.gz CIWLXGWPDGDGGX-LRDDRELGSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2nccn2C)[C@H](C)C1 ZINC001036138435 690272452 /nfs/dbraw/zinc/27/24/52/690272452.db2.gz SEQUYBKZKTUPAY-CABCVRRESA-N 0 3 318.465 2.349 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cc(OC)no2)[C@@H](C)C1 ZINC001036141726 690273944 /nfs/dbraw/zinc/27/39/44/690273944.db2.gz IGVGIAQEVUCAKN-JSGCOSHPSA-N 0 3 321.421 2.222 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3nccn3C)[C@@H](C)C2)C1 ZINC001036170772 690280539 /nfs/dbraw/zinc/28/05/39/690280539.db2.gz UGPWQLBBSRUTAC-GJZGRUSLSA-N 0 3 316.449 2.103 20 30 DEEDHN Cc1ncc(CN[C@H](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001036407515 690343045 /nfs/dbraw/zinc/34/30/45/690343045.db2.gz BXSBPCNBDUOGNR-CJNGLKHVSA-N 0 3 315.417 2.113 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H]1[C@@H](C)CCCN1C(C)=O ZINC001036482447 690362254 /nfs/dbraw/zinc/36/22/54/690362254.db2.gz CRBFDLODBKBBDR-GUYCJALGSA-N 0 3 315.417 2.303 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)[C@H]1CO)c1ccccc1 ZINC000878485784 690422130 /nfs/dbraw/zinc/42/21/30/690422130.db2.gz RDYJFVJSTMQKBS-ZTFGCOKTSA-N 0 3 300.402 2.130 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C/Cl)C2)c1 ZINC001036679812 690431939 /nfs/dbraw/zinc/43/19/39/690431939.db2.gz MPDVWMHTMWWGHA-PJESFOLISA-N 0 3 318.808 2.175 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000878640479 690463118 /nfs/dbraw/zinc/46/31/18/690463118.db2.gz ILUQNEBDDKRHEB-YTQUADARSA-N 0 3 311.429 2.063 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(CC3CC3)s2)CC1 ZINC000878751493 690491057 /nfs/dbraw/zinc/49/10/57/690491057.db2.gz ZGIACONFGQQJRA-UHFFFAOYSA-N 0 3 305.447 2.476 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H]2CNCc2nccn2C)C1 ZINC001037075321 690566147 /nfs/dbraw/zinc/56/61/47/690566147.db2.gz OGGXDZKXVAQZJQ-HUUCEWRRSA-N 0 3 316.449 2.151 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000879113899 690570690 /nfs/dbraw/zinc/57/06/90/690570690.db2.gz DEVGINVVZUUMJW-YGRLFVJLSA-N 0 3 300.761 2.421 20 30 DEEDHN N#CCOc1ccc(CN(CC2CC2)[C@H](C(N)=O)C2CC2)cc1 ZINC000879489650 690652812 /nfs/dbraw/zinc/65/28/12/690652812.db2.gz PQCIRMJNPBQURD-KRWDZBQOSA-N 0 3 313.401 2.065 20 30 DEEDHN C[C@H]1OCC[C@H]1CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591181 690682373 /nfs/dbraw/zinc/68/23/73/690682373.db2.gz QFXUABAWSCQIBB-KGLIPLIRSA-N 0 3 303.381 2.244 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653305 690699857 /nfs/dbraw/zinc/69/98/57/690699857.db2.gz NOTALSYDTSBJDR-OGHNNQOOSA-N 0 3 303.406 2.486 20 30 DEEDHN C[C@@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000879672972 690703781 /nfs/dbraw/zinc/70/37/81/690703781.db2.gz YRZREQFTQTYAED-IJLUTSLNSA-N 0 3 315.339 2.424 20 30 DEEDHN COCC#CCN1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879699411 690710394 /nfs/dbraw/zinc/71/03/94/690710394.db2.gz BNXGHRZXIUJVRY-HOTGVXAUSA-N 0 3 322.449 2.358 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001038291671 690770724 /nfs/dbraw/zinc/77/07/24/690770724.db2.gz BOESXCKYJLZFRW-CQSZACIVSA-N 0 3 312.369 2.173 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001038298065 690772745 /nfs/dbraw/zinc/77/27/45/690772745.db2.gz BEFKRHOYRPNQEC-AWEZNQCLSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001038410968 690810797 /nfs/dbraw/zinc/81/07/97/690810797.db2.gz QEUKLNIPXXXNRG-HUUCEWRRSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001038421010 690816805 /nfs/dbraw/zinc/81/68/05/690816805.db2.gz AZOBOQYELNTDIH-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001038428437 690819562 /nfs/dbraw/zinc/81/95/62/690819562.db2.gz XKOWERLIVCLUKB-AWEZNQCLSA-N 0 3 312.417 2.344 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038579566 690866076 /nfs/dbraw/zinc/86/60/76/690866076.db2.gz YTDCPUDNOMNSRC-SJLPKXTDSA-N 0 3 314.429 2.457 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCCO2)cc1 ZINC001038588784 690868689 /nfs/dbraw/zinc/86/86/89/690868689.db2.gz JNOLSAGCWNYWHT-ROUUACIJSA-N 0 3 312.413 2.041 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2C[C@@H]2CCCOC2)CC1 ZINC001038663127 690889360 /nfs/dbraw/zinc/88/93/60/690889360.db2.gz YOHFHNHENLHOBE-RDJZCZTQSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001038760593 690917459 /nfs/dbraw/zinc/91/74/59/690917459.db2.gz HHOHENLDESQWQT-NVXWUHKLSA-N 0 3 318.392 2.286 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001038760595 690917580 /nfs/dbraw/zinc/91/75/80/690917580.db2.gz HHOHENLDESQWQT-WBVHZDCISA-N 0 3 318.392 2.286 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038774666 690922679 /nfs/dbraw/zinc/92/26/79/690922679.db2.gz SNYXCERAAAINMH-OAHLLOKOSA-N 0 3 300.406 2.124 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001038846841 690942890 /nfs/dbraw/zinc/94/28/90/690942890.db2.gz UCLUDDAMDDNBBP-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN 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C#CCN(C(=O)c1ccc(-c2cn[nH]c2)cc1)C1CCN(C)CC1 ZINC001347427712 1151066171 /nfs/dbraw/zinc/06/61/71/1151066171.db2.gz ASKKMMXQHYERDO-UHFFFAOYSA-N 0 3 322.412 2.246 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001347650376 1151087106 /nfs/dbraw/zinc/08/71/06/1151087106.db2.gz POZSQOXAQULBLR-FUHWJXTLSA-N 0 3 315.461 2.098 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2cnn(C)c2C)cc1 ZINC001351284452 1151511318 /nfs/dbraw/zinc/51/13/18/1151511318.db2.gz RVWRGDHRAZWIFQ-ZDUSSCGKSA-N 0 3 310.401 2.389 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc3ccccn3c2)CC1 ZINC001001910041 1151775871 /nfs/dbraw/zinc/77/58/71/1151775871.db2.gz XJMWLPFHVKCNJV-UHFFFAOYSA-N 0 3 309.413 2.404 20 30 DEEDHN C#CCN(C)c1nnc(CC)n1CCN(C)Cc1ccccc1 ZINC001300468714 1151864863 /nfs/dbraw/zinc/86/48/63/1151864863.db2.gz JHCOOYJHCGSPSH-UHFFFAOYSA-N 0 3 311.433 2.042 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001357825363 1152341868 /nfs/dbraw/zinc/34/18/68/1152341868.db2.gz MZIXIWJMFILYDD-YOEHRIQHSA-N 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C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001381951511 1153285929 /nfs/dbraw/zinc/28/59/29/1153285929.db2.gz LMDFXEJKCZZEES-DLOVCJGASA-N 0 3 303.244 2.426 20 30 DEEDHN CCCC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001382044827 1153330114 /nfs/dbraw/zinc/33/01/14/1153330114.db2.gz USGHFRSSNSZUIP-CYBMUJFWSA-N 0 3 303.406 2.303 20 30 DEEDHN C[C@@H](NC(=O)c1ccncc1)[C@H](C)NCc1ccc(C#N)s1 ZINC001402950062 1162565783 /nfs/dbraw/zinc/56/57/83/1162565783.db2.gz ITTHKJHQEPVIST-NWDGAFQWSA-N 0 3 314.414 2.311 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001403098256 1162711151 /nfs/dbraw/zinc/71/11/51/1162711151.db2.gz GYWVUGXNJSIJQG-CYBMUJFWSA-N 0 3 310.401 2.445 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001390456379 1155728957 /nfs/dbraw/zinc/72/89/57/1155728957.db2.gz OIGNCUQSWGDNIU-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NCc1ccc(C#N)c(F)c1 ZINC001390459887 1155733466 /nfs/dbraw/zinc/73/34/66/1155733466.db2.gz QZRSJWBMRYTIHH-FWYOQMDTSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H](C)C1CC1 ZINC001390657817 1155829774 /nfs/dbraw/zinc/82/97/74/1155829774.db2.gz RSAGQGNKFPTSSW-MNOVXSKESA-N 0 3 303.244 2.426 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@H](C)NCc1nsc2ccccc12 ZINC001371729344 1155977986 /nfs/dbraw/zinc/97/79/86/1155977986.db2.gz AMXGTUJRZJOEOH-RYUDHWBXSA-N 0 3 316.430 2.440 20 30 DEEDHN CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001391640024 1156633037 /nfs/dbraw/zinc/63/30/37/1156633037.db2.gz SQNHMOVHDPIYBS-HOTGVXAUSA-N 0 3 315.417 2.148 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@]2(C)CCOC2)CCCC1 ZINC001392025972 1156851446 /nfs/dbraw/zinc/85/14/46/1156851446.db2.gz ZALFQYVMJYJBSZ-CQSZACIVSA-N 0 3 300.830 2.184 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CN(C)Cc2cccc(C#N)c2)on1 ZINC001392630430 1157245728 /nfs/dbraw/zinc/24/57/28/1157245728.db2.gz ZTBAZWIVHXEIPU-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cncnc2)CCCC[C@@H]1C ZINC001373894588 1157441061 /nfs/dbraw/zinc/44/10/61/1157441061.db2.gz GNKLQINSRJCGFF-LRDDRELGSA-N 0 3 322.840 2.497 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncc(F)cc1F ZINC001393808405 1158001839 /nfs/dbraw/zinc/00/18/39/1158001839.db2.gz SPUMZAJTLZJCOZ-VIFPVBQESA-N 0 3 303.740 2.210 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001393833591 1158016279 /nfs/dbraw/zinc/01/62/79/1158016279.db2.gz RWTHCEFWANRXCA-QWHCGFSZSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001393880429 1158041055 /nfs/dbraw/zinc/04/10/55/1158041055.db2.gz BYZSOTKWPGEWIO-KGLIPLIRSA-N 0 3 301.862 2.002 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)CC(C)C ZINC001374861548 1158059679 /nfs/dbraw/zinc/05/96/79/1158059679.db2.gz UBOSNRSKJBMKPV-ZDUSSCGKSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001375035424 1158229531 /nfs/dbraw/zinc/22/95/31/1158229531.db2.gz FYRREGXXTUHTIM-VXGBXAGGSA-N 0 3 310.829 2.019 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccncc3F)CC2)cc1 ZINC001375401612 1158573787 /nfs/dbraw/zinc/57/37/87/1158573787.db2.gz JTUKWAZNXBWBLP-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN CC(C)OCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001394680265 1158670152 /nfs/dbraw/zinc/67/01/52/1158670152.db2.gz VXHPDRRYJNRGJA-QWHCGFSZSA-N 0 3 321.446 2.124 20 30 DEEDHN CN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccc2c(c1)CCC2 ZINC001403539239 1162976787 /nfs/dbraw/zinc/97/67/87/1162976787.db2.gz OJIUGZKYAJZCTA-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN COCCN(CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1cccc(C)c1 ZINC001394830308 1158806353 /nfs/dbraw/zinc/80/63/53/1158806353.db2.gz SGSLDQFHGNGSIE-HOTGVXAUSA-N 0 3 317.433 2.280 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(Cc2cccc3cccnc32)C1 ZINC001375817699 1158881704 /nfs/dbraw/zinc/88/17/04/1158881704.db2.gz BOXGXRZIPJJPRX-AUUYWEPGSA-N 0 3 322.412 2.475 20 30 DEEDHN COCc1ccc(CN2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001375821133 1158883643 /nfs/dbraw/zinc/88/36/43/1158883643.db2.gz OKLYZBGFPBPKLZ-KSSFIOAISA-N 0 3 315.417 2.073 20 30 DEEDHN Cc1cc[nH]c1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001377021777 1159878858 /nfs/dbraw/zinc/87/88/58/1159878858.db2.gz VRTPJYMBLPJMBV-AWEZNQCLSA-N 0 3 310.401 2.493 20 30 DEEDHN CS[C@H](C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001377065206 1159889680 /nfs/dbraw/zinc/88/96/80/1159889680.db2.gz GBGZFHJGISXWIM-NWDGAFQWSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1nn(C)c2c1CCCC2 ZINC001377086137 1159895098 /nfs/dbraw/zinc/89/50/98/1159895098.db2.gz WGTZOBQDLDLHQT-GFCCVEGCSA-N 0 3 324.856 2.149 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001397078741 1159952560 /nfs/dbraw/zinc/95/25/60/1159952560.db2.gz KQZAPLUHJLCHQP-VHDGCEQUSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001397560994 1160330506 /nfs/dbraw/zinc/33/05/06/1160330506.db2.gz FQANIDDHGNXLOS-WZRBSPASSA-N 0 3 307.344 2.109 20 30 DEEDHN CC(C)OCC(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001377410283 1160339066 /nfs/dbraw/zinc/33/90/66/1160339066.db2.gz NTDBQLJXUOHIID-ZDUSSCGKSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H](F)C(C)C)C1 ZINC001397627086 1160370360 /nfs/dbraw/zinc/37/03/60/1160370360.db2.gz NUERAPGSGAITGP-GRYCIOLGSA-N 0 3 321.234 2.374 20 30 DEEDHN CC[C@@H](C)CNCc1nc2c(s1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001397810123 1160533783 /nfs/dbraw/zinc/53/37/83/1160533783.db2.gz HQIFAJORFTUWGK-VXGBXAGGSA-N 0 3 320.462 2.323 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001399332168 1161351862 /nfs/dbraw/zinc/35/18/62/1161351862.db2.gz ABULQAIWPITUQS-AAEUAGOBSA-N 0 3 312.845 2.065 20 30 DEEDHN CCc1cccc(CN(C)CCNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001399452665 1161406391 /nfs/dbraw/zinc/40/63/91/1161406391.db2.gz KJCGFHRTJLOYHY-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccnn2C)CCCC[C@H]1C ZINC001401040308 1161863317 /nfs/dbraw/zinc/86/33/17/1161863317.db2.gz MIDPWOGUARWWRD-MLGOLLRUSA-N 0 3 324.856 2.441 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001401203623 1161893441 /nfs/dbraw/zinc/89/34/41/1161893441.db2.gz MGPIRILLLOUXLI-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN CN(CCc1ccccc1)CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001401365015 1161953701 /nfs/dbraw/zinc/95/37/01/1161953701.db2.gz OTJWKJNNLGOHJW-UHFFFAOYSA-N 0 3 310.401 2.133 20 30 DEEDHN Cc1ccncc1CN1CC[C@]2(NC(=O)[C@H](C)C#N)CCC[C@H]12 ZINC001403805596 1163206185 /nfs/dbraw/zinc/20/61/85/1163206185.db2.gz VTMZTBDJFCRYRG-UWWQBHOKSA-N 0 3 312.417 2.163 20 30 DEEDHN CC[C@H](CNC(=O)C1CCC1)NCc1ccc(C#N)c(F)c1 ZINC001405194542 1164007516 /nfs/dbraw/zinc/00/75/16/1164007516.db2.gz QLTBNUSGXZWQKV-OAHLLOKOSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@H](CC)CNC(=O)c1ccn2c(C)cnc2c1 ZINC001405264583 1164031883 /nfs/dbraw/zinc/03/18/83/1164031883.db2.gz XHKVWOQNEKBSAQ-CQSZACIVSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@@H](C)CO2)CCCC1 ZINC001405385828 1164069447 /nfs/dbraw/zinc/06/94/47/1164069447.db2.gz LDESXTDECHGNEO-DGCLKSJQSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1nccs1 ZINC001405865779 1164299590 /nfs/dbraw/zinc/29/95/90/1164299590.db2.gz FBIPEFKIEXHSBE-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC001407004355 1164920094 /nfs/dbraw/zinc/92/00/94/1164920094.db2.gz IJFBSAVGXASMLR-CYBMUJFWSA-N 0 3 314.857 2.477 20 30 DEEDHN COCCC(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001407103631 1164976586 /nfs/dbraw/zinc/97/65/86/1164976586.db2.gz FRUVIIAGHSXEJZ-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001408206274 1165531598 /nfs/dbraw/zinc/53/15/98/1165531598.db2.gz OETHYCCQXBJXHU-YPMHNXCESA-N 0 3 312.845 2.151 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001417808906 1167227689 /nfs/dbraw/zinc/22/76/89/1167227689.db2.gz OPTBUHSNVZUGTM-UONOGXRCSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)COCC(F)F)C1 ZINC001417846730 1167252409 /nfs/dbraw/zinc/25/24/09/1167252409.db2.gz OKHNLSFPPWLTKU-LBPRGKRZSA-N 0 3 324.799 2.381 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001418409416 1167634307 /nfs/dbraw/zinc/63/43/07/1167634307.db2.gz ZPVBSPGJDHIQCF-DGCLKSJQSA-N 0 3 324.856 2.316 20 30 DEEDHN Cc1nc(C)c(CN2CCC(N(C)C(=O)[C@H](C)C#N)CC2)s1 ZINC001419073664 1168178778 /nfs/dbraw/zinc/17/87/78/1168178778.db2.gz RHLQOSARHRRCAG-LLVKDONJSA-N 0 3 320.462 2.342 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001419074824 1168179585 /nfs/dbraw/zinc/17/95/85/1168179585.db2.gz CQPAVECFMIYXEM-DZGCQCFKSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001419074830 1168179741 /nfs/dbraw/zinc/17/97/41/1168179741.db2.gz CQPAVECFMIYXEM-ZFWWWQNUSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2ccn(C)n2)CCCC1 ZINC001419309843 1168390389 /nfs/dbraw/zinc/39/03/89/1168390389.db2.gz PCQJYKYYXBBYHK-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001419313229 1168391994 /nfs/dbraw/zinc/39/19/94/1168391994.db2.gz CRSAXUKOWRZNBM-LQPUYASZSA-N 0 3 320.824 2.423 20 30 DEEDHN CC[C@@H](F)CNC[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001419600560 1168653705 /nfs/dbraw/zinc/65/37/05/1168653705.db2.gz LNEIGSSZBFIGRF-TZMCWYRMSA-N 0 3 306.385 2.219 20 30 DEEDHN CC[C@H](F)CNC[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001419600554 1168655620 /nfs/dbraw/zinc/65/56/20/1168655620.db2.gz LNEIGSSZBFIGRF-JSGCOSHPSA-N 0 3 306.385 2.219 20 30 DEEDHN CC[C@H](F)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001419692404 1168805361 /nfs/dbraw/zinc/80/53/61/1168805361.db2.gz BUSDXFMJYVPOIX-RISCZKNCSA-N 0 3 309.360 2.382 20 30 DEEDHN C[C@H](CNC(=O)CCC1CC1)NCc1ccc(F)c(C#N)c1 ZINC001419721245 1168819713 /nfs/dbraw/zinc/81/97/13/1168819713.db2.gz PMCPJYUFONAZSR-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NCc1ccc(F)c(F)c1 ZINC001419723246 1168820932 /nfs/dbraw/zinc/82/09/32/1168820932.db2.gz CZPIUKCMXOWAPM-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@@H](CNC(=O)C1=CCCC1)NCc1ccc(F)c(C#N)c1 ZINC001419726081 1168822425 /nfs/dbraw/zinc/82/24/25/1168822425.db2.gz WVKCTRLODSNJAR-LBPRGKRZSA-N 0 3 301.365 2.402 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1ccc(C#N)cc1F ZINC001419866031 1168881436 /nfs/dbraw/zinc/88/14/36/1168881436.db2.gz PHDPREWNFDATOP-MLGOLLRUSA-N 0 3 316.380 2.087 20 30 DEEDHN C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccccc1[O-] ZINC001420266483 1169300184 /nfs/dbraw/zinc/30/01/84/1169300184.db2.gz KWOMQLFWSNRVPN-CYBMUJFWSA-N 0 3 309.369 2.172 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001420269483 1169303879 /nfs/dbraw/zinc/30/38/79/1169303879.db2.gz MABWXUPOTBHMEH-MNOVXSKESA-N 0 3 309.410 2.043 20 30 DEEDHN COc1cc(CN(C)C[C@H](C)NC(=O)[C@H](C)C#N)ccc1C ZINC001420535799 1169743272 /nfs/dbraw/zinc/74/32/72/1169743272.db2.gz HDDLPMPXTCOGPK-KGLIPLIRSA-N 0 3 303.406 2.100 20 30 DEEDHN Cc1ncc(CNC[C@@H](NC(=O)[C@H](C)C#N)C2CCCC2)s1 ZINC001421162632 1171543005 /nfs/dbraw/zinc/54/30/05/1171543005.db2.gz TZIOCQDIRKQSTI-IAQYHMDHSA-N 0 3 320.462 2.376 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@](C)(CNCc2cc(C3CC3)no2)C1 ZINC001421235805 1171620816 /nfs/dbraw/zinc/62/08/16/1171620816.db2.gz ZNEGMUUDPOQFPT-SJCJKPOMSA-N 0 3 316.405 2.040 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCc1cnccn1)C1CC1 ZINC001421580651 1171856868 /nfs/dbraw/zinc/85/68/68/1171856868.db2.gz ZTZLWDFEGNJMII-MRXNPFEDSA-N 0 3 322.840 2.036 20 30 DEEDHN C[C@@H](CNC/C(Cl)=C/Cl)CNC(=O)c1cc(C#N)c[nH]1 ZINC001421671515 1171893615 /nfs/dbraw/zinc/89/36/15/1171893615.db2.gz HYDUYHJWRWYASG-XXVIQQQLSA-N 0 3 315.204 2.161 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccn(C(F)F)n2)C1 ZINC001422261289 1172447327 /nfs/dbraw/zinc/44/73/27/1172447327.db2.gz YBWWQELISHQJLE-UHFFFAOYSA-N 0 3 318.755 2.129 20 30 DEEDHN C[C@H](CNC(=O)C[C@@H]1CCCO1)N(C)Cc1cccc(C#N)c1 ZINC001422473106 1172621038 /nfs/dbraw/zinc/62/10/38/1172621038.db2.gz GTJUGYUFTWXGGX-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN CCO[C@@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001422641923 1172788222 /nfs/dbraw/zinc/78/82/22/1172788222.db2.gz CJZPVPZYYOFBID-SWLSCSKDSA-N 0 3 323.462 2.275 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ncccn2)CCCCC1 ZINC001422684565 1172807814 /nfs/dbraw/zinc/80/78/14/1172807814.db2.gz POUQRSNSZMZHDE-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN Cn1cc([C@@H]2C[C@H]2CN2CCN(c3ccccc3C#N)CC2)cn1 ZINC001423085668 1173066581 /nfs/dbraw/zinc/06/65/81/1173066581.db2.gz YWSZJCFBTRVZLX-FUHWJXTLSA-N 0 3 321.428 2.217 20 30 DEEDHN CCc1nc(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)co1 ZINC001423205778 1173165998 /nfs/dbraw/zinc/16/59/98/1173165998.db2.gz SKNQEAQZKWCUFC-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN CC[C@@H](F)CN[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC001423397018 1173328698 /nfs/dbraw/zinc/32/86/98/1173328698.db2.gz YQGNMRHRLZNOQF-OCCSQVGLSA-N 0 3 306.385 2.075 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)c(C)o1 ZINC001424072870 1173643682 /nfs/dbraw/zinc/64/36/82/1173643682.db2.gz ULXZLDXUANKYSV-KCPJHIHWSA-N 0 3 318.421 2.216 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccn3nccc23)C1 ZINC001424727975 1173889169 /nfs/dbraw/zinc/88/91/69/1173889169.db2.gz PUDNJYCZEASLMH-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001436746815 1179214383 /nfs/dbraw/zinc/21/43/83/1179214383.db2.gz HZYRGYKCDQLUSB-CZUORRHYSA-N 0 3 315.392 2.456 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001436926356 1179304460 /nfs/dbraw/zinc/30/44/60/1179304460.db2.gz IQPFXFVWLHISGT-IHRRRGAJSA-N 0 3 302.846 2.427 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2ncccc2c1 ZINC001437659559 1179880925 /nfs/dbraw/zinc/88/09/25/1179880925.db2.gz NJMPXIWCSYDQEV-RHSMWYFYSA-N 0 3 322.412 2.475 20 30 DEEDHN COc1ccc(CN2CC[C@@H](CNC(=O)C(C)C)C2)cc1C#N ZINC001437687958 1179890260 /nfs/dbraw/zinc/89/02/60/1179890260.db2.gz HZEUVONKKBDTDC-HNNXBMFYSA-N 0 3 315.417 2.161 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H]1CC1(F)F)NCc1ccc(C#N)s1 ZINC001438305908 1180336008 /nfs/dbraw/zinc/33/60/08/1180336008.db2.gz XQZWTAPBBPJMIK-SKDRFNHKSA-N 0 3 313.373 2.259 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(OC)ccn2)CCCC1 ZINC001438390378 1180387755 /nfs/dbraw/zinc/38/77/55/1180387755.db2.gz DEWVBNHFTODWHS-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438625822 1180692066 /nfs/dbraw/zinc/69/20/66/1180692066.db2.gz ARAJQXXQXYJAOS-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)Cc1ccc[nH]1 ZINC001439406098 1181076643 /nfs/dbraw/zinc/07/66/43/1181076643.db2.gz LJNXZPJSEZGQGC-AWEZNQCLSA-N 0 3 310.401 2.066 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440917399 1181773100 /nfs/dbraw/zinc/77/31/00/1181773100.db2.gz YFRQISLNGPNYEO-CHWSQXEVSA-N 0 3 305.447 2.246 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441917404 1182249004 /nfs/dbraw/zinc/24/90/04/1182249004.db2.gz KSSSKXCTQVBFQD-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CCNC(=O)CCn1cccc1)NCc1ccccc1C#N ZINC001442306986 1182411792 /nfs/dbraw/zinc/41/17/92/1182411792.db2.gz LOCZYOBKGJCOPA-MRXNPFEDSA-N 0 3 324.428 2.434 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001443309149 1182918013 /nfs/dbraw/zinc/91/80/13/1182918013.db2.gz CJXLZEWFHGIOPK-TZMCWYRMSA-N 0 3 306.385 2.028 20 30 DEEDHN C[C@H](CNCc1ccccc1Cl)NC(=O)c1c[nH]c(C#N)c1 ZINC001445367647 1183850953 /nfs/dbraw/zinc/85/09/53/1183850953.db2.gz QLDYSNNBNIIGTO-LLVKDONJSA-N 0 3 316.792 2.448 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)CCCn1ccnc1C ZINC001447891847 1184925198 /nfs/dbraw/zinc/92/51/98/1184925198.db2.gz GHAFLMRMWZFQCI-CHWSQXEVSA-N 0 3 312.845 2.207 20 30 DEEDHN C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001448054130 1185048835 /nfs/dbraw/zinc/04/88/35/1185048835.db2.gz KZRJWQJYHVQEII-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC/C=C\Cl ZINC001449074902 1185519196 /nfs/dbraw/zinc/51/91/96/1185519196.db2.gz RLBZUHOSMLIPMR-ACVFHECNSA-N 0 3 306.797 2.079 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](NCc2cncs2)C[C@@H]1C ZINC001331969115 1149802192 /nfs/dbraw/zinc/80/21/92/1149802192.db2.gz KDVQTWFDSSSLPP-KBPBESRZSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001077501562 782242047 /nfs/dbraw/zinc/24/20/47/782242047.db2.gz BRAUENBDNFTSTR-HZPDHXFCSA-N 0 3 322.836 2.308 20 30 DEEDHN Cc1ncc(CNC[C@H]2CC[C@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001332261018 1149841486 /nfs/dbraw/zinc/84/14/86/1149841486.db2.gz LUAYHPASVXRJEN-GJZGRUSLSA-N 0 3 317.433 2.407 20 30 DEEDHN C=C(C)[C@@H](CC(=O)OC[C@@H]1CCN1C1CCOCC1)OCC ZINC001123247183 782921741 /nfs/dbraw/zinc/92/17/41/782921741.db2.gz HSPSTBKJQXVHMY-JKSUJKDBSA-N 0 3 311.422 2.154 20 30 DEEDHN CCN(CCNc1cccc(F)c1C#N)C(=O)CN1CCCC1 ZINC001106777406 782930936 /nfs/dbraw/zinc/93/09/36/782930936.db2.gz TVNYFTWYGKYFFQ-UHFFFAOYSA-N 0 3 318.396 2.054 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001099290857 783003698 /nfs/dbraw/zinc/00/36/98/783003698.db2.gz BVLPZBNUALPCHW-LPHOPBHVSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H](O)C1 ZINC001083748592 783019198 /nfs/dbraw/zinc/01/91/98/783019198.db2.gz JORODOJRKJGTJW-WQVCFCJDSA-N 0 3 322.836 2.181 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OCC)nc2)C[C@@H]1C ZINC000947365301 783118088 /nfs/dbraw/zinc/11/80/88/783118088.db2.gz LMDSHIPGASYLAV-GOEBONIOSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnn2CC(C)C)C[C@@H]1C ZINC000947361397 783118214 /nfs/dbraw/zinc/11/82/14/783118214.db2.gz NXBCSHLXJIWMBT-HOTGVXAUSA-N 0 3 316.449 2.145 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnn2CC(C)C)C[C@H]1C ZINC000947361396 783118421 /nfs/dbraw/zinc/11/84/21/783118421.db2.gz NXBCSHLXJIWMBT-CVEARBPZSA-N 0 3 316.449 2.145 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C[C@@H]1C ZINC000947386371 783123336 /nfs/dbraw/zinc/12/33/36/783123336.db2.gz HMZWOYFWHQLKFZ-NWDGAFQWSA-N 0 3 322.840 2.232 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cncn2-c2ccccc2)C[C@@H]1C ZINC000947392242 783125216 /nfs/dbraw/zinc/12/52/16/783125216.db2.gz VASUSQPOPZBYDO-JKSUJKDBSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000947437526 783135576 /nfs/dbraw/zinc/13/55/76/783135576.db2.gz RZAMGFJVPAFGPQ-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2csc(C)n2)CC(C)(C)C1 ZINC001089470783 783138927 /nfs/dbraw/zinc/13/89/27/783138927.db2.gz PJFBMVXGEVQTFG-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2conc2CC)CC(C)(C)C1 ZINC001089485183 783151009 /nfs/dbraw/zinc/15/10/09/783151009.db2.gz IWNBMSFMVHKQOV-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ocnc2CC)CC(C)(C)C1 ZINC001089487352 783152707 /nfs/dbraw/zinc/15/27/07/783152707.db2.gz JUSPBNWPJWYHMT-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C[C@H]1C ZINC000947564255 783176811 /nfs/dbraw/zinc/17/68/11/783176811.db2.gz OIYFSIXPLGJOHJ-HUUCEWRRSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2coc(CCC)n2)CC(C)(C)C1 ZINC001089541818 783193683 /nfs/dbraw/zinc/19/36/83/783193683.db2.gz OCUUPUQKZMJRBS-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(CC)on2)CC(C)(C)C1 ZINC001089541953 783193071 /nfs/dbraw/zinc/19/30/71/783193071.db2.gz OSWKROMUOFVMMF-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000947666968 783202872 /nfs/dbraw/zinc/20/28/72/783202872.db2.gz NVUJEMHYAVTGPN-WFASDCNBSA-N 0 3 306.356 2.110 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(OCC)c2)C[C@@H]1C ZINC000947709504 783210255 /nfs/dbraw/zinc/21/02/55/783210255.db2.gz DBFMCUBWMCSGBI-ZFWWWQNUSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000947719165 783212568 /nfs/dbraw/zinc/21/25/68/783212568.db2.gz IZOZKSFAYUCWLS-AEFFLSMTSA-N 0 3 323.440 2.279 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3c2OCC3)C[C@H]1C ZINC000947742621 783219777 /nfs/dbraw/zinc/21/97/77/783219777.db2.gz ZAYFCHGRUXCEON-GDBMZVCRSA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2csc3cncn32)C[C@H]1C ZINC000947771344 783227693 /nfs/dbraw/zinc/22/76/93/783227693.db2.gz JUHXFGACVRCWHQ-NEPJUHHUSA-N 0 3 304.419 2.165 20 30 DEEDHN C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001170964288 790335540 /nfs/dbraw/zinc/33/55/40/790335540.db2.gz ZRZLONFOGKYQDY-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001072973506 790344675 /nfs/dbraw/zinc/34/46/75/790344675.db2.gz RMFDMAKPFYXYHX-CQSZACIVSA-N 0 3 310.388 2.370 20 30 DEEDHN N#Cc1cccc(CN2CCC3(CN(C(=O)[C@H]4CC45CC5)C3)C2)c1 ZINC001073012011 790380520 /nfs/dbraw/zinc/38/05/20/790380520.db2.gz BLGYKTTYAHCOMY-QGZVFWFLSA-N 0 3 321.424 2.393 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3sc(C)cc3OC)C2)C1 ZINC001073033142 790407032 /nfs/dbraw/zinc/40/70/32/790407032.db2.gz DERAHVXDFJAEQP-UHFFFAOYSA-N 0 3 306.431 2.399 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)Cc3c(C)noc3C)C2)C1 ZINC001073040236 790411091 /nfs/dbraw/zinc/41/10/91/790411091.db2.gz YMAHWDIDOBDHMB-ZDUSSCGKSA-N 0 3 317.433 2.190 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCc4ccccc4O3)C2)C1 ZINC001073063920 790427286 /nfs/dbraw/zinc/42/72/86/790427286.db2.gz QNVWHBLAFCTLRS-KRWDZBQOSA-N 0 3 312.413 2.101 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H](O)C1 ZINC001090678023 790438554 /nfs/dbraw/zinc/43/85/54/790438554.db2.gz DFXPTEMOZRMZSO-XLAORIBOSA-N 0 3 320.477 2.024 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCO[C@@H](CCC)C3)C2)C1 ZINC001073083544 790441375 /nfs/dbraw/zinc/44/13/75/790441375.db2.gz DQXVSOXABCLODU-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn(C(C)C)c3C)C2)C1 ZINC001073116458 790466648 /nfs/dbraw/zinc/46/66/48/790466648.db2.gz PIUFZJRTOKLMHW-UHFFFAOYSA-N 0 3 302.422 2.106 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](OC)c3ccccc3)C2)C1 ZINC001073139317 790482051 /nfs/dbraw/zinc/48/20/51/790482051.db2.gz XYQMOWOREQEXAF-MRXNPFEDSA-N 0 3 300.402 2.094 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC)cc3OC)C2)C1 ZINC001073148779 790487435 /nfs/dbraw/zinc/48/74/35/790487435.db2.gz HETRJDFYWIMPSX-UHFFFAOYSA-N 0 3 316.401 2.038 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001167348777 776938174 /nfs/dbraw/zinc/93/81/74/776938174.db2.gz UPFSRJCPEFIQJL-CQSZACIVSA-N 0 3 324.856 2.463 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001211505778 777050593 /nfs/dbraw/zinc/05/05/93/777050593.db2.gz CMCCRXBUSDCSGB-DJIMGWMZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)C1CC1)C[C@H](C)O2 ZINC001098580711 777592839 /nfs/dbraw/zinc/59/28/39/777592839.db2.gz RXLLEWKRIWVGPG-LSDHHAIUSA-N 0 3 306.450 2.300 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)C1(CF)CC1 ZINC001100662114 777625597 /nfs/dbraw/zinc/62/55/97/777625597.db2.gz GMJVTQUVGKBIQQ-UHFFFAOYSA-N 0 3 314.404 2.272 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc(C)n1 ZINC001087271768 777678064 /nfs/dbraw/zinc/67/80/64/777678064.db2.gz WWPQVERZNIXGBS-HYVNUMGLSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(F)nc3)C(C)(C)[C@H]21 ZINC001087275846 777693146 /nfs/dbraw/zinc/69/31/46/777693146.db2.gz NLAQMOYMPNWGNA-KBMXLJTQSA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ncccc3C)C(C)(C)[C@H]21 ZINC001087279062 777703654 /nfs/dbraw/zinc/70/36/54/777703654.db2.gz QUCRKRPSFWHWLV-OIISXLGYSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3csnc3C)C(C)(C)[C@@H]21 ZINC001087281254 777709961 /nfs/dbraw/zinc/70/99/61/777709961.db2.gz DQFQPPGQJZZLNV-BPLDGKMQSA-N 0 3 317.458 2.304 20 30 DEEDHN C=CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(OC)no1 ZINC001087281926 777715036 /nfs/dbraw/zinc/71/50/36/777715036.db2.gz OKPUMCJVLBQDIV-BYCMXARLSA-N 0 3 319.405 2.088 20 30 DEEDHN CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1Cc1ccc(C#N)s1 ZINC001087322496 777789490 /nfs/dbraw/zinc/78/94/90/777789490.db2.gz JPKJPJOZKBCRTA-DXEWXGHRSA-N 0 3 315.442 2.308 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2C(C)C)[C@@H](O)C1 ZINC001090829584 790579688 /nfs/dbraw/zinc/57/96/88/790579688.db2.gz DCBFHURKVUCQCA-GJZGRUSLSA-N 0 3 320.458 2.060 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CC(C3CC3)C3CC3)[C@H]2C1 ZINC001083286124 778101483 /nfs/dbraw/zinc/10/14/83/778101483.db2.gz UKHGOPSMPXLGPM-ZWKOTPCHSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1C ZINC001104914065 778249942 /nfs/dbraw/zinc/24/99/42/778249942.db2.gz SZCUFHNMZALWGV-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105248869 778399322 /nfs/dbraw/zinc/39/93/22/778399322.db2.gz BXPHGBRXWQELKD-UHFFFAOYSA-N 0 3 319.453 2.009 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccc(OC)cc1 ZINC001090863832 790621104 /nfs/dbraw/zinc/62/11/04/790621104.db2.gz YISDLVQFGROHGN-ZWKOTPCHSA-N 0 3 324.380 2.119 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001207636676 778746900 /nfs/dbraw/zinc/74/69/00/778746900.db2.gz WUGHQRCVSCSHOY-MRXNPFEDSA-N 0 3 323.481 2.179 20 30 DEEDHN Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1C ZINC001075621307 778766358 /nfs/dbraw/zinc/76/63/58/778766358.db2.gz VXFCEHMMTSTLFJ-RYQLBKOJSA-N 0 3 311.429 2.496 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001211761770 778847065 /nfs/dbraw/zinc/84/70/65/778847065.db2.gz LIJAOQQEKFSRLG-IAGOWNOFSA-N 0 3 317.433 2.257 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001126379040 778887631 /nfs/dbraw/zinc/88/76/31/778887631.db2.gz WCCLRADNDMMSAA-ZBEGNZNMSA-N 0 3 312.360 2.059 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCOC)CC1 ZINC001105388957 779256931 /nfs/dbraw/zinc/25/69/31/779256931.db2.gz FUNBPIDOLQNVGC-SFHVURJKSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H]1CC ZINC001087662803 779400044 /nfs/dbraw/zinc/40/00/44/779400044.db2.gz CRQRECMCVJUSHY-SMLCLMEVSA-N 0 3 306.450 2.347 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccncc2Cl)[C@H]1CC ZINC001087727039 779426465 /nfs/dbraw/zinc/42/64/65/779426465.db2.gz BUAPCJNDKNDPQQ-JKSUJKDBSA-N 0 3 319.836 2.270 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)[C@H]1CC ZINC001087776077 779446365 /nfs/dbraw/zinc/44/63/65/779446365.db2.gz KCXFFQKUVIWMFX-JKSUJKDBSA-N 0 3 304.438 2.308 20 30 DEEDHN CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(CC#N)[C@@H]1CC ZINC001087792194 779453782 /nfs/dbraw/zinc/45/37/82/779453782.db2.gz RRIALVCILJKSDK-GVDBMIGSSA-N 0 3 320.481 2.134 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3cccnc23)[C@H]1CC ZINC001087795990 779454908 /nfs/dbraw/zinc/45/49/08/779454908.db2.gz DDOVIDJEORCCEG-GOEBONIOSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncoc2-c2ccon2)[C@H]1CC ZINC001087798885 779455575 /nfs/dbraw/zinc/45/55/75/779455575.db2.gz SIOPEHUVGDPRDC-WCQYABFASA-N 0 3 316.361 2.098 20 30 DEEDHN CC(C)C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001087887876 779517912 /nfs/dbraw/zinc/51/79/12/779517912.db2.gz CZUPENOPSHBLOR-MSOLQXFVSA-N 0 3 311.429 2.495 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](n2cc(CNCCCC)nn2)C1 ZINC001098710207 779534976 /nfs/dbraw/zinc/53/49/76/779534976.db2.gz BARQMFZWLHHQQD-MRXNPFEDSA-N 0 3 319.453 2.298 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001087994644 779621675 /nfs/dbraw/zinc/62/16/75/779621675.db2.gz VAFUIUYSYSFWMX-CABCVRRESA-N 0 3 318.367 2.382 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3CC)C[C@@H]2C1 ZINC001088009590 779631074 /nfs/dbraw/zinc/63/10/74/779631074.db2.gz MBMROYDGZRFQIC-MOPGFXCFSA-N 0 3 310.441 2.205 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(C4CCC4)CCC3)C[C@@H]2C1 ZINC001088055438 779659431 /nfs/dbraw/zinc/65/94/31/779659431.db2.gz FYOCQTZCCHOVRX-CVEARBPZSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccn(C(C)C)c3C)C[C@@H]2C1 ZINC001088076991 779679471 /nfs/dbraw/zinc/67/94/71/779679471.db2.gz FJINRHYJFGLGOF-SJORKVTESA-N 0 3 313.445 2.405 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C(C)C)no3)C[C@@H]2C1 ZINC001088129636 779717965 /nfs/dbraw/zinc/71/79/65/779717965.db2.gz XVYSQDHMEJYSQB-CABCVRRESA-N 0 3 315.417 2.215 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)C[C@@H]2C1 ZINC001088161517 779736962 /nfs/dbraw/zinc/73/69/62/779736962.db2.gz WLJLRDQACUHMAC-IKGGRYGDSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]2C1 ZINC001088189284 779762636 /nfs/dbraw/zinc/76/26/36/779762636.db2.gz SLONOEDQOFZLQY-SJORKVTESA-N 0 3 314.404 2.172 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)c3ccco3)CC2)C1 ZINC001088225403 779781039 /nfs/dbraw/zinc/78/10/39/779781039.db2.gz LVFPCRKFOGXFJJ-INIZCTEOSA-N 0 3 318.417 2.409 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001073595812 790734352 /nfs/dbraw/zinc/73/43/52/790734352.db2.gz WQWXHCBEVNLOAD-AWEZNQCLSA-N 0 3 308.447 2.453 20 30 DEEDHN N#Cc1cncc(CN2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC001144080642 790748039 /nfs/dbraw/zinc/74/80/39/790748039.db2.gz UGQZKKSYPYEJIL-SFHVURJKSA-N 0 3 304.353 2.049 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cnc(C)n2C)C1 ZINC001088368784 780030651 /nfs/dbraw/zinc/03/06/51/780030651.db2.gz SEBLQBSVWSIYJA-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)CN(CC)CC)C1 ZINC001059746468 780308560 /nfs/dbraw/zinc/30/85/60/780308560.db2.gz XGNJDOKOEBKAPQ-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001059746193 780308652 /nfs/dbraw/zinc/30/86/52/780308652.db2.gz QRDDKXUEIHACHE-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sccc2CN(C)C)[C@H]1C ZINC001088600238 780570224 /nfs/dbraw/zinc/57/02/24/780570224.db2.gz DYOPAMDNPIJBGI-OCCSQVGLSA-N 0 3 307.463 2.188 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OCC)nc2)[C@H]1C ZINC001088602543 780570609 /nfs/dbraw/zinc/57/06/09/780570609.db2.gz KAVBUTNRWICKGF-HIFRSBDPSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2csc(C)n2)C1 ZINC001100959292 780610527 /nfs/dbraw/zinc/61/05/27/780610527.db2.gz RECKABBMCPNAEI-UHFFFAOYSA-N 0 3 313.854 2.231 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001060038238 780913961 /nfs/dbraw/zinc/91/39/61/780913961.db2.gz VYVWJNYPBLAGAE-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC001073741050 790834939 /nfs/dbraw/zinc/83/49/39/790834939.db2.gz NHYFUAUYXMVKJE-HNNXBMFYSA-N 0 3 318.417 2.247 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001073745601 790837126 /nfs/dbraw/zinc/83/71/26/790837126.db2.gz CNCDYYDKTATGQE-ZDUSSCGKSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)ccnc2OCC)[C@H]1C ZINC001088769641 780968978 /nfs/dbraw/zinc/96/89/78/780968978.db2.gz WACRWZMDUCVVDM-CABCVRRESA-N 0 3 315.417 2.005 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001091030466 790840597 /nfs/dbraw/zinc/84/05/97/790840597.db2.gz GMBDHMMNANZKPF-UHFFFAOYSA-N 0 3 324.856 2.459 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001091030031 790840633 /nfs/dbraw/zinc/84/06/33/790840633.db2.gz AOSVNSUECZZFER-WUCCLRPBSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2OCCc3ccccc32)[C@H]1C ZINC001088786480 780985737 /nfs/dbraw/zinc/98/57/37/780985737.db2.gz KNGBRSUTIQSZKL-JLSDUUJJSA-N 0 3 314.429 2.456 20 30 DEEDHN COc1ccc(CNCCNC(=O)C(C)=C2CCC2)cc1C#N ZINC001126876053 781013771 /nfs/dbraw/zinc/01/37/71/781013771.db2.gz ZINFEMCVMIUDLJ-UHFFFAOYSA-N 0 3 313.401 2.273 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001083532475 781070836 /nfs/dbraw/zinc/07/08/36/781070836.db2.gz QNSYTFGZEHJZKU-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001073758654 790849794 /nfs/dbraw/zinc/84/97/94/790849794.db2.gz PGIBPBWFSDMJED-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4c(cn3)CCCC4)[C@@H]2C1 ZINC001076018209 781079563 /nfs/dbraw/zinc/07/95/63/781079563.db2.gz HBRDLAAXYYFLNW-PKOBYXMFSA-N 0 3 323.440 2.130 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C(C)C)nn3C)[C@@H]2C1 ZINC001076420924 781258175 /nfs/dbraw/zinc/25/81/75/781258175.db2.gz NZKWZUMJSAKDAX-WMLDXEAASA-N 0 3 316.449 2.266 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3OCc4ccccc43)[C@@H]2C1 ZINC001076514153 781294225 /nfs/dbraw/zinc/29/42/25/781294225.db2.gz URXSJYNIGOUWHR-QGTPRVQTSA-N 0 3 312.413 2.367 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c(C)nsc3C)[C@@H]2C1 ZINC001076615197 781328606 /nfs/dbraw/zinc/32/86/06/781328606.db2.gz NGFYLYCZYOJZKT-UONOGXRCSA-N 0 3 305.447 2.482 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076952166 781436007 /nfs/dbraw/zinc/43/60/07/781436007.db2.gz PIYBZXMGFFFZKD-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001077207806 781515995 /nfs/dbraw/zinc/51/59/95/781515995.db2.gz WKRZYNMXHRNKJQ-HZPDHXFCSA-N 0 3 324.371 2.014 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001077355764 781552338 /nfs/dbraw/zinc/55/23/38/781552338.db2.gz QOONNXAONUGAOZ-QZTJIDSGSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2csnc2C)[C@H](OC)C1 ZINC001212134536 781646663 /nfs/dbraw/zinc/64/66/63/781646663.db2.gz VADCZUVLWAMLTL-KCPJHIHWSA-N 0 3 323.462 2.235 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(F)cc(C)cc2F)[C@@H](O)C1 ZINC001083627216 781656032 /nfs/dbraw/zinc/65/60/32/781656032.db2.gz LKFAYCJWFJIBFT-CABCVRRESA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2coc(CC)n2)[C@H](OC)C1 ZINC001212150376 781756816 /nfs/dbraw/zinc/75/68/16/781756816.db2.gz VXVADSCQDOKXDL-GZBFAFLISA-N 0 3 321.421 2.021 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(Cl)cn2)C1 ZINC001073863646 790921933 /nfs/dbraw/zinc/92/19/33/790921933.db2.gz XNFCBIVXCLUODJ-AWEZNQCLSA-N 0 3 323.824 2.132 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2c(C)noc2Cl)C[C@H]1C ZINC000947806226 783235282 /nfs/dbraw/zinc/23/52/82/783235282.db2.gz PAXLNUAMMYNGQI-DGCLKSJQSA-N 0 3 323.824 2.171 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CCC)c2C)C[C@@H]1C ZINC000947851983 783247402 /nfs/dbraw/zinc/24/74/02/783247402.db2.gz DBGTYLFGRXTXPY-ZFWWWQNUSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3ccccn3c2F)C[C@H]1C ZINC000947895707 783261459 /nfs/dbraw/zinc/26/14/59/783261459.db2.gz QQMSZCDKQKLKDB-CHWSQXEVSA-N 0 3 316.380 2.242 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C)nc2C2CC2)C[C@@H]1C ZINC000947988781 783285884 /nfs/dbraw/zinc/28/58/84/783285884.db2.gz DJFPOAIBULMKKI-WFASDCNBSA-N 0 3 314.433 2.431 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630051 783297215 /nfs/dbraw/zinc/29/72/15/783297215.db2.gz ABVAJKAEVHTMAU-CQSZACIVSA-N 0 3 300.406 2.293 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc3ccccc3n2C)C[C@H]1C ZINC000948077679 783312920 /nfs/dbraw/zinc/31/29/20/783312920.db2.gz FIEQGPRJSGTPIB-NVXWUHKLSA-N 0 3 323.440 2.323 20 30 DEEDHN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659076 783328725 /nfs/dbraw/zinc/32/87/25/783328725.db2.gz SBJOHQPVDQOINY-IRXDYDNUSA-N 0 3 319.493 2.101 20 30 DEEDHN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659075 783329095 /nfs/dbraw/zinc/32/90/95/783329095.db2.gz SBJOHQPVDQOINY-IAGOWNOFSA-N 0 3 319.493 2.101 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncn1 ZINC001089712076 783374004 /nfs/dbraw/zinc/37/40/04/783374004.db2.gz KDRUZHOJQFKDBC-CQSZACIVSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000948381181 783447122 /nfs/dbraw/zinc/44/71/22/783447122.db2.gz HCWUJVHTWVNUFF-BZSNNMDCSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccnn2[C@H](C)CC)CC1 ZINC000948416632 783457720 /nfs/dbraw/zinc/45/77/20/783457720.db2.gz LGEAEHFJLHHIPT-CVEARBPZSA-N 0 3 316.449 2.414 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1OC ZINC001212347167 783505570 /nfs/dbraw/zinc/50/55/70/783505570.db2.gz YCHJEYWBRSHEQQ-BRWVUGGUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099976371 783674749 /nfs/dbraw/zinc/67/47/49/783674749.db2.gz NHIYGHKPTHZSCB-IRXDYDNUSA-N 0 3 306.450 2.395 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cc(F)ccc1F ZINC001154879409 783689778 /nfs/dbraw/zinc/68/97/78/783689778.db2.gz BNQGLUPBUOWCLK-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC000966596805 783705465 /nfs/dbraw/zinc/70/54/65/783705465.db2.gz FHSDBJMYJBPWHV-WFASDCNBSA-N 0 3 321.396 2.246 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC000966630492 783715806 /nfs/dbraw/zinc/71/58/06/783715806.db2.gz GYXBALBDWLGWLW-CXAGYDPISA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966880006 783793425 /nfs/dbraw/zinc/79/34/25/783793425.db2.gz SMMOSLJNRVXDDN-MAUKXSAKSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC000967081848 783877353 /nfs/dbraw/zinc/87/73/53/783877353.db2.gz CCRSHQHXXOSOLT-NVXWUHKLSA-N 0 3 313.445 2.209 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC000967081853 783878286 /nfs/dbraw/zinc/87/82/86/783878286.db2.gz CCRSHQHXXOSOLT-WBVHZDCISA-N 0 3 313.445 2.209 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208985 783905374 /nfs/dbraw/zinc/90/53/74/783905374.db2.gz SKOHYVFHANSLEQ-PBHICJAKSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001085626689 783909447 /nfs/dbraw/zinc/90/94/47/783909447.db2.gz QXPDDDATTXVAPZ-AWEZNQCLSA-N 0 3 304.438 2.361 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000967265883 783917201 /nfs/dbraw/zinc/91/72/01/783917201.db2.gz XXFGUOJAIGHWGF-KSSFIOAISA-N 0 3 311.429 2.423 20 30 DEEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1C[C@@H](CC)OC ZINC001085641345 783920252 /nfs/dbraw/zinc/92/02/52/783920252.db2.gz JQMDTJLIRMDUID-HZPDHXFCSA-N 0 3 319.449 2.245 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC000967273254 783922469 /nfs/dbraw/zinc/92/24/69/783922469.db2.gz KHJPODIQUOPCIC-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC000967279629 783926944 /nfs/dbraw/zinc/92/69/44/783926944.db2.gz OPBGAHZEEWDBOP-NVXWUHKLSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncc(COC)c1 ZINC001085647116 783933887 /nfs/dbraw/zinc/93/38/87/783933887.db2.gz BXYSBCSPILFYNR-QGZVFWFLSA-N 0 3 317.433 2.341 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1CC ZINC001085694360 783979679 /nfs/dbraw/zinc/97/96/79/783979679.db2.gz FBGOARZFQZONCD-CQSZACIVSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncnc2[nH]ccc21 ZINC001085698592 783980814 /nfs/dbraw/zinc/98/08/14/783980814.db2.gz QXOZAHJHYXIKMD-ZDUSSCGKSA-N 0 3 313.405 2.022 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108204948 783987650 /nfs/dbraw/zinc/98/76/50/783987650.db2.gz COZZRQDYLRCQPC-ZBFHGGJFSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccnc3ccncc32)C1 ZINC000967423625 783994485 /nfs/dbraw/zinc/99/44/85/783994485.db2.gz HMHIPQRCEKHADO-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000967675457 784089026 /nfs/dbraw/zinc/08/90/26/784089026.db2.gz GFWPAJUHAUSGHZ-CZUORRHYSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCO2 ZINC001085836414 784118872 /nfs/dbraw/zinc/11/88/72/784118872.db2.gz IUXAZWHDCOXXHX-INIZCTEOSA-N 0 3 300.402 2.344 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cnccc2n1 ZINC001085843687 784129457 /nfs/dbraw/zinc/12/94/57/784129457.db2.gz SNSBDBUDMSXURJ-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2C[C@@H](C)CC)nn1 ZINC001085864103 784150073 /nfs/dbraw/zinc/15/00/73/784150073.db2.gz RCPWLMJOGCKJDW-GJZGRUSLSA-N 0 3 319.453 2.047 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2nccnc21 ZINC001085892508 784184874 /nfs/dbraw/zinc/18/48/74/784184874.db2.gz AYSXRLZWKJDUQL-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ncccc2F)C1 ZINC000968018545 784203559 /nfs/dbraw/zinc/20/35/59/784203559.db2.gz SSWYOEAGCQUHJE-XJKSGUPXSA-N 0 3 305.397 2.166 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063772 784217487 /nfs/dbraw/zinc/21/74/87/784217487.db2.gz YVVWZTLJCVEIRC-DOMZBBRYSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001074000083 791007671 /nfs/dbraw/zinc/00/76/71/791007671.db2.gz VAXRIQFVCRMRJA-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC2CC(C)C2)cn1 ZINC001085932827 784229807 /nfs/dbraw/zinc/22/98/07/784229807.db2.gz JJQYICBZDXZYDC-JTTJXQCZSA-N 0 3 311.429 2.255 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cn1 ZINC001085992442 784291691 /nfs/dbraw/zinc/29/16/91/784291691.db2.gz KJCFAZONFXSFSF-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](CNC(=O)C3CCC3)C2)c1 ZINC001086010729 784314921 /nfs/dbraw/zinc/31/49/21/784314921.db2.gz RYVRGUFVVNQWHK-AKAXFMLLSA-N 0 3 315.392 2.482 20 30 DEEDHN CC1CC(C(=O)N2CC[C@@H](NCc3ccc(C#N)c(F)c3)C2)C1 ZINC000968376466 784338403 /nfs/dbraw/zinc/33/84/03/784338403.db2.gz UMWDMUPYRQXHEM-VDSRIPIWSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379543 784340427 /nfs/dbraw/zinc/34/04/27/784340427.db2.gz YSXUBEAQMMERIO-CABCVRRESA-N 0 3 304.438 2.019 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC000968400992 784359344 /nfs/dbraw/zinc/35/93/44/784359344.db2.gz VZYOVWCWQICIQQ-HOCLYGCPSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC000968408239 784366687 /nfs/dbraw/zinc/36/66/87/784366687.db2.gz BYOYMHKEPUGVOB-RDTXWAMCSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC000968418829 784374554 /nfs/dbraw/zinc/37/45/54/784374554.db2.gz OXCYUTVPLUGDRM-YOEHRIQHSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968503970 784431487 /nfs/dbraw/zinc/43/14/87/784431487.db2.gz CXJQENHCXCQAHI-XJKSGUPXSA-N 0 3 317.433 2.090 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(CC(C)C)CCCC2)[C@H](O)C1 ZINC001100036197 784444584 /nfs/dbraw/zinc/44/45/84/784444584.db2.gz BKQZKEUOZXBERS-IAGOWNOFSA-N 0 3 320.477 2.168 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC000968532678 784450154 /nfs/dbraw/zinc/45/01/54/784450154.db2.gz DAGKAOXIIQBFNL-YOEHRIQHSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000968543577 784454792 /nfs/dbraw/zinc/45/47/92/784454792.db2.gz CPFXEZIHXPKIPX-UONOGXRCSA-N 0 3 304.438 2.090 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001086182629 784470429 /nfs/dbraw/zinc/47/04/29/784470429.db2.gz FNKWFUHHHHZMGG-XQLPTFJDSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000968601377 784493444 /nfs/dbraw/zinc/49/34/44/784493444.db2.gz CKMIBWZKYOSZSB-YOEHRIQHSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC000968603189 784496846 /nfs/dbraw/zinc/49/68/46/784496846.db2.gz VMXXCFHWNKEADT-QAPCUYQASA-N 0 3 314.429 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/nfs/dbraw/zinc/63/63/68/784636368.db2.gz QCUHFMKWOZYJKL-OAHLLOKOSA-N 0 3 317.433 2.248 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cncc(OC)n1 ZINC000969059497 784710107 /nfs/dbraw/zinc/71/01/07/784710107.db2.gz MADYECPBLSYADE-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC000969072706 784714103 /nfs/dbraw/zinc/71/41/03/784714103.db2.gz QCFCXVYSSMTSGZ-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cncc3ccccc32)C1 ZINC001007527827 784944399 /nfs/dbraw/zinc/94/43/99/784944399.db2.gz PHQMFVGHGAIZDJ-SFHVURJKSA-N 0 3 321.424 2.381 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2csc3cncn32)C1 ZINC001091264763 791072826 /nfs/dbraw/zinc/07/28/26/791072826.db2.gz WKEIDBYVOFIOPU-UHFFFAOYSA-N 0 3 324.837 2.246 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001007949665 785056154 /nfs/dbraw/zinc/05/61/54/785056154.db2.gz DXFITHFRIXABJT-GFCCVEGCSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001008740045 785291405 /nfs/dbraw/zinc/29/14/05/785291405.db2.gz XCXRXAQBIZEHQI-CQSZACIVSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1nnc(CC)n1C ZINC001169713688 785324285 /nfs/dbraw/zinc/32/42/85/785324285.db2.gz QUDXBDRXRNNESZ-CQSZACIVSA-N 0 3 321.469 2.108 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008907156 785330313 /nfs/dbraw/zinc/33/03/13/785330313.db2.gz AABXEQOKCNNXRF-KRWDZBQOSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001009071670 785377463 /nfs/dbraw/zinc/37/74/63/785377463.db2.gz FSSHLMGOFDPNLV-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001009071674 785377534 /nfs/dbraw/zinc/37/75/34/785377534.db2.gz FSSHLMGOFDPNLV-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009089657 785381394 /nfs/dbraw/zinc/38/13/94/785381394.db2.gz ARURHFAQGWYQPK-KRWDZBQOSA-N 0 3 309.413 2.396 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001009089659 785381686 /nfs/dbraw/zinc/38/16/86/785381686.db2.gz ARURHFAQGWYQPK-QGZVFWFLSA-N 0 3 309.413 2.396 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001009144183 785395135 /nfs/dbraw/zinc/39/51/35/785395135.db2.gz ICHCMWCZPHUJBC-AWEZNQCLSA-N 0 3 302.422 2.059 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001009144183 785395144 /nfs/dbraw/zinc/39/51/44/785395144.db2.gz ICHCMWCZPHUJBC-AWEZNQCLSA-N 0 3 302.422 2.059 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001009169511 785402244 /nfs/dbraw/zinc/40/22/44/785402244.db2.gz PGCOJTMDYSVEME-ZWKOTPCHSA-N 0 3 319.493 2.245 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009192379 785404638 /nfs/dbraw/zinc/40/46/38/785404638.db2.gz ZHNXYQJAMBOKRI-QGZVFWFLSA-N 0 3 309.413 2.465 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc2nsnc21 ZINC001169899579 785411455 /nfs/dbraw/zinc/41/14/55/785411455.db2.gz PFMBSWXVSWESIB-UHFFFAOYSA-N 0 3 310.810 2.153 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001009351411 785435828 /nfs/dbraw/zinc/43/58/28/785435828.db2.gz IUBYNGWAXCVCLV-QGZVFWFLSA-N 0 3 302.393 2.151 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001009492605 785464786 /nfs/dbraw/zinc/46/47/86/785464786.db2.gz DTTXCHRKIRXQLY-AWEZNQCLSA-N 0 3 315.417 2.046 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001009642672 785497474 /nfs/dbraw/zinc/49/74/74/785497474.db2.gz LPEQCEGVUFFLAB-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001109257878 785784768 /nfs/dbraw/zinc/78/47/68/785784768.db2.gz QPGNTGBWJJWJPC-QYZOEREBSA-N 0 3 308.425 2.364 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001109607425 785959539 /nfs/dbraw/zinc/95/95/39/785959539.db2.gz XOZRARCDFCLJFE-NCOADZHNSA-N 0 3 306.450 2.327 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(F)CC1)C2 ZINC001109674404 785984340 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CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113068656 786390690 /nfs/dbraw/zinc/39/06/90/786390690.db2.gz XGUQQVIDMQYHEB-CHWSQXEVSA-N 0 3 320.412 2.343 20 30 DEEDHN CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001086584354 786485294 /nfs/dbraw/zinc/48/52/94/786485294.db2.gz RXMVIABPCWMGRZ-DLBZAZTESA-N 0 3 308.385 2.104 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001014400972 786570714 /nfs/dbraw/zinc/57/07/14/786570714.db2.gz RKPUWMVIAJMZIA-OAHLLOKOSA-N 0 3 312.417 2.111 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2csc([C@H](C)OC)n2)C1 ZINC001014424344 786578714 /nfs/dbraw/zinc/57/87/14/786578714.db2.gz LKIHQRBALHUHGR-RYUDHWBXSA-N 0 3 309.435 2.231 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001014477352 786597427 /nfs/dbraw/zinc/59/74/27/786597427.db2.gz ITKYKRLUVMHYEF-KSZLIROESA-N 0 3 312.413 2.121 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001113504420 786646917 /nfs/dbraw/zinc/64/69/17/786646917.db2.gz 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C=CCn1cccc1C(=O)NCCNCc1cc(F)cc(F)c1 ZINC001129514439 787223189 /nfs/dbraw/zinc/22/31/89/787223189.db2.gz UDSLYLWYAGCXBY-UHFFFAOYSA-N 0 3 319.355 2.472 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CC)CCCC)C[C@@H]1n1ccnn1 ZINC001129603580 787228277 /nfs/dbraw/zinc/22/82/77/787228277.db2.gz BYPOUVVQJVVGSC-OAGGEKHMSA-N 0 3 319.453 2.022 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1CC(NCc2ccns2)C1 ZINC001100317134 787322951 /nfs/dbraw/zinc/32/29/51/787322951.db2.gz FVOULBOIWNKIRV-UHFFFAOYSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(CC)CC2)C1 ZINC001130424073 787385975 /nfs/dbraw/zinc/38/59/75/787385975.db2.gz ZJUSBCVFGQTNRB-ZDUSSCGKSA-N 0 3 302.422 2.191 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CC2CC(F)(F)C2)c1 ZINC001130434766 787396576 /nfs/dbraw/zinc/39/65/76/787396576.db2.gz OWLSKHBTBCYFHN-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001130452920 787399483 /nfs/dbraw/zinc/39/94/83/787399483.db2.gz PLJMSHNQBJZSCT-HIFRSBDPSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100166420 787490439 /nfs/dbraw/zinc/49/04/39/787490439.db2.gz GHVXZQRFYOVCDA-IYXRBSQSSA-N 0 3 300.830 2.205 20 30 DEEDHN COc1ccc(C)cc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001130981577 787518615 /nfs/dbraw/zinc/51/86/15/787518615.db2.gz PZELHNCPSVRSRD-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ccccc3O1)C2 ZINC001096195625 787569220 /nfs/dbraw/zinc/56/92/20/787569220.db2.gz RBFIYRRLLNSDFE-VUHPKUFZSA-N 0 3 324.424 2.125 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ncc(Cl)s2)c1 ZINC001131294021 787587889 /nfs/dbraw/zinc/58/78/89/787587889.db2.gz LYXRFYINCODZKI-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C=C(CC)CC)C[C@H](C)O2 ZINC001131649089 787672497 /nfs/dbraw/zinc/67/24/97/787672497.db2.gz FQPKKJMWNWDGKA-LPHOPBHVSA-N 0 3 318.461 2.448 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCC#CC)C[C@H](C)O2 ZINC001131677241 787688853 /nfs/dbraw/zinc/68/88/53/787688853.db2.gz JUOLBWDJXOHYGI-PKOBYXMFSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)COC2CCCC2)CC[C@@H]1C ZINC001131855714 787773478 /nfs/dbraw/zinc/77/34/78/787773478.db2.gz AWHUITLQAHJYHH-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2c(C)ccn2C)CC[C@@H]1C ZINC001131985014 787861840 /nfs/dbraw/zinc/86/18/40/787861840.db2.gz SHHHCSPZDAHISJ-HOTGVXAUSA-N 0 3 319.449 2.119 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCc2cnn(C)c2)C1 ZINC001132227832 787982921 /nfs/dbraw/zinc/98/29/21/787982921.db2.gz IZFSWRSJHROUPX-GDBMZVCRSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCc2cnn(C)c2)C1 ZINC001132255993 788000491 /nfs/dbraw/zinc/00/04/91/788000491.db2.gz IJGFDHQCWNFISU-NVXWUHKLSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)C(F)F)CC[C@@H]1C ZINC001132288155 788011415 /nfs/dbraw/zinc/01/14/15/788011415.db2.gz NPJXCQIZCPBLHJ-STQMWFEESA-N 0 3 318.408 2.449 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CC(C)(F)F)CC[C@@H]1C ZINC001132297042 788016158 /nfs/dbraw/zinc/01/61/58/788016158.db2.gz YTSGFDOPPOCNOX-STQMWFEESA-N 0 3 304.381 2.203 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CC(C)(F)F)CC[C@@H]1C ZINC001132297041 788017960 /nfs/dbraw/zinc/01/79/60/788017960.db2.gz YTSGFDOPPOCNOX-QWHCGFSZSA-N 0 3 304.381 2.203 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@]2(C)C=CCC2)cc1C#N ZINC001132502351 788101882 /nfs/dbraw/zinc/10/18/82/788101882.db2.gz RIVNSSKAOUGRHI-GOSISDBHSA-N 0 3 313.401 2.129 20 30 DEEDHN C=C/C(C)=C/CC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132516320 788113627 /nfs/dbraw/zinc/11/36/27/788113627.db2.gz XTGPTBMKXOCZST-LHHJGKSTSA-N 0 3 313.401 2.295 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CN(C)Cc2ccccc2)CC[C@@H]1C ZINC001132541314 788118204 /nfs/dbraw/zinc/11/82/04/788118204.db2.gz CVMAMHLASMIAOY-FUHWJXTLSA-N 0 3 315.461 2.274 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2CC3(CCC3)C2)s1 ZINC001132587795 788140334 /nfs/dbraw/zinc/14/03/34/788140334.db2.gz VIQXZZCNYGNWOH-UHFFFAOYSA-N 0 3 303.431 2.406 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC001097599260 788143235 /nfs/dbraw/zinc/14/32/35/788143235.db2.gz XELKNXKIADDBSJ-NFAWXSAZSA-N 0 3 301.390 2.463 20 30 DEEDHN Cc1cc(CNC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@@H]2C)on1 ZINC001132808714 788204261 /nfs/dbraw/zinc/20/42/61/788204261.db2.gz DYQNKMAPTOSZOH-GOEBONIOSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001132866329 788213208 /nfs/dbraw/zinc/21/32/08/788213208.db2.gz XWMHWHSJBCWGON-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN N#CCC1CCN(Cc2ccnc(N3CCOCC3)c2)CC1 ZINC001137437850 788357602 /nfs/dbraw/zinc/35/76/02/788357602.db2.gz KEQQKZPECYMQFZ-UHFFFAOYSA-N 0 3 300.406 2.044 20 30 DEEDHN C=CCCC1(C(=O)NCCNCc2ccc3nonc3c2)CC1 ZINC001133374056 788390035 /nfs/dbraw/zinc/39/00/35/788390035.db2.gz NVYIQDBZWLBWNB-UHFFFAOYSA-N 0 3 314.389 2.175 20 30 DEEDHN CCC(=O)N(CCNCC#CCOC)Cc1cccc(Cl)c1 ZINC001133379738 788392582 /nfs/dbraw/zinc/39/25/82/788392582.db2.gz CUQUYOFGNUGKJW-UHFFFAOYSA-N 0 3 322.836 2.318 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)CC)CCC1 ZINC001133398797 788397563 /nfs/dbraw/zinc/39/75/63/788397563.db2.gz NXYOVSDBZAYOSR-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1c(C)noc1C)C2 ZINC001098040554 788403539 /nfs/dbraw/zinc/40/35/39/788403539.db2.gz YYJAXVKKVQOUSY-MPESAESLSA-N 0 3 315.417 2.140 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNC[C@@H](O)c2ccc(F)cc2F)C1 ZINC001133571615 788493753 /nfs/dbraw/zinc/49/37/53/788493753.db2.gz VHCJVTFJWBEPSK-OAHLLOKOSA-N 0 3 324.371 2.060 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001133656508 788539732 /nfs/dbraw/zinc/53/97/32/788539732.db2.gz BAJXDFZUKUEWML-MNOVXSKESA-N 0 3 314.227 2.410 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)CSCC#N)NC/C(Cl)=C/Cl ZINC001133735343 788586482 /nfs/dbraw/zinc/58/64/82/788586482.db2.gz CPNHIHFSCFLREG-YMQLOLIISA-N 0 3 324.277 2.435 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)o1 ZINC001134019443 788714699 /nfs/dbraw/zinc/71/46/99/788714699.db2.gz VGFXGELULTUMLX-ZIAGYGMSSA-N 0 3 323.437 2.339 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)NCc1nccs1 ZINC001134014843 788720649 /nfs/dbraw/zinc/72/06/49/788720649.db2.gz UUGAGHRVZPJMIC-MNOVXSKESA-N 0 3 317.418 2.030 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1cncnc1 ZINC001134151745 788777443 /nfs/dbraw/zinc/77/74/43/788777443.db2.gz ITWAQPKSYYOTNV-UONOGXRCSA-N 0 3 323.400 2.035 20 30 DEEDHN Cc1cnc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001134329337 788874508 /nfs/dbraw/zinc/87/45/08/788874508.db2.gz MUPAJTXNPWAMHG-KGLIPLIRSA-N 0 3 316.449 2.207 20 30 DEEDHN Cc1cc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)nn1C ZINC001134328921 788874833 /nfs/dbraw/zinc/87/48/33/788874833.db2.gz HEXAVZMIIRYMEE-UONOGXRCSA-N 0 3 318.465 2.151 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001134428358 788916391 /nfs/dbraw/zinc/91/63/91/788916391.db2.gz JYGBQXDLNPTLTA-OAHLLOKOSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134417935 788921731 /nfs/dbraw/zinc/92/17/31/788921731.db2.gz BPOWLEBWAAEBDP-VXGBXAGGSA-N 0 3 301.394 2.021 20 30 DEEDHN C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001134710825 789044145 /nfs/dbraw/zinc/04/41/45/789044145.db2.gz ARCGLKAJCSFEAY-NEPJUHHUSA-N 0 3 318.421 2.122 20 30 DEEDHN C=CCCC(=O)NC1(CC)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001069487477 789068441 /nfs/dbraw/zinc/06/84/41/789068441.db2.gz UPMDXCATOCDNPV-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001134923148 789132844 /nfs/dbraw/zinc/13/28/44/789132844.db2.gz SZOCALULVCPREG-STQMWFEESA-N 0 3 313.401 2.201 20 30 DEEDHN C=CC1(CC(=O)NCCN[C@@H](CCCC)C(N)=O)CCCCC1 ZINC001135196748 789241230 /nfs/dbraw/zinc/24/12/30/789241230.db2.gz GWPIRSXTNKANNQ-HNNXBMFYSA-N 0 3 323.481 2.263 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)cn1 ZINC001135230976 789259768 /nfs/dbraw/zinc/25/97/68/789259768.db2.gz UQXVNVOKNOZDCX-CABCVRRESA-N 0 3 316.449 2.352 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2ccn(C)n2)C1 ZINC001135422193 789344349 /nfs/dbraw/zinc/34/43/49/789344349.db2.gz GAUVYSAJAZPGFU-KBPBESRZSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135561352 789398455 /nfs/dbraw/zinc/39/84/55/789398455.db2.gz RKZUGXHIIBKMOO-KBPBESRZSA-N 0 3 306.454 2.395 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)c[nH]c1=O)C2 ZINC001098127743 789441098 /nfs/dbraw/zinc/44/10/98/789441098.db2.gz CHMHYMLWVLWDFC-BMFZPTHFSA-N 0 3 315.417 2.261 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001070928226 789483859 /nfs/dbraw/zinc/48/38/59/789483859.db2.gz NKNLTKPLVFDZME-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001086774540 789495231 /nfs/dbraw/zinc/49/52/31/789495231.db2.gz REKZKFKRCPJUHK-QWHCGFSZSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1CCCC1)C[C@H](C)O2 ZINC001071122607 789534227 /nfs/dbraw/zinc/53/42/27/789534227.db2.gz WAIXYKFCGQEJGV-YJBOKZPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cncs1)C[C@@H](C)O2 ZINC001071144778 789555127 /nfs/dbraw/zinc/55/51/27/789555127.db2.gz URWPTPKUECENLR-CJNGLKHVSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC1CC1)C[C@H](C)O2 ZINC001071147133 789559686 /nfs/dbraw/zinc/55/96/86/789559686.db2.gz OKMLWRYSGFJJTP-YJBOKZPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1CC(C)(C)C1)C[C@H](C)O2 ZINC001071166926 789569795 /nfs/dbraw/zinc/56/97/95/789569795.db2.gz QBBUJSMGAXDZJT-KXBFYZLASA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(CF)CCC1)C[C@@H](C)O2 ZINC001071210014 789594206 /nfs/dbraw/zinc/59/42/06/789594206.db2.gz TTZNNSQRJZQUAH-QAPCUYQASA-N 0 3 324.440 2.394 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1nccs1)C[C@@H](C)O2 ZINC001071222562 789600728 /nfs/dbraw/zinc/60/07/28/789600728.db2.gz DEALYDXRGBGWSR-CJNGLKHVSA-N 0 3 321.446 2.025 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(OCC#N)cc2)C1 ZINC001071282948 789624748 /nfs/dbraw/zinc/62/47/48/789624748.db2.gz QXSULCSHKKFINF-CZUORRHYSA-N 0 3 301.390 2.078 20 30 DEEDHN CC(C)=CCN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[C@@H]1C ZINC001071427878 789719387 /nfs/dbraw/zinc/71/93/87/789719387.db2.gz RMWGUQJZTRHUHI-ZFWWWQNUSA-N 0 3 300.406 2.435 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)CC[C@@H]1C ZINC001071555194 789776917 /nfs/dbraw/zinc/77/69/17/789776917.db2.gz BJMINAJSJAQIOA-ZFWWWQNUSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nccc3cccnc32)CC[C@@H]1C ZINC001071576361 789789681 /nfs/dbraw/zinc/78/96/81/789789681.db2.gz DMEZFTFMACNFIW-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)sc2C)CC[C@@H]1C ZINC001071606276 789809160 /nfs/dbraw/zinc/80/91/60/789809160.db2.gz GTELSZLMHXGVFU-FZMZJTMJSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@H]1C ZINC001071638747 789832390 /nfs/dbraw/zinc/83/23/90/789832390.db2.gz ONJLKOOULBRQLD-KBPBESRZSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@@H]1C ZINC001071642043 789834838 /nfs/dbraw/zinc/83/48/38/789834838.db2.gz KCKPFKGSTXYJBD-KBPBESRZSA-N 0 3 302.422 2.139 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)CC[C@H]1C ZINC001071680025 789861075 /nfs/dbraw/zinc/86/10/75/789861075.db2.gz QLIJHNYMSZTRHD-CZUORRHYSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3ccncc3n2)CC[C@@H]1C ZINC001071689760 789866254 /nfs/dbraw/zinc/86/62/54/789866254.db2.gz PNVBENICABHLGF-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(OCC)n2)CC[C@@H]1C ZINC001071697885 789873294 /nfs/dbraw/zinc/87/32/94/789873294.db2.gz HPSOTXRBGNEUPY-HOCLYGCPSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2occ3c2CCC3)CC[C@H]1C ZINC001071712592 789881495 /nfs/dbraw/zinc/88/14/95/789881495.db2.gz 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789979722 /nfs/dbraw/zinc/97/97/22/789979722.db2.gz NSWJEPLIPDTCLY-WBVHZDCISA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn3c2CCCC3)CC[C@H]1C ZINC001071967998 789992839 /nfs/dbraw/zinc/99/28/39/789992839.db2.gz QPUBOQDDJXCQCJ-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn3c(cccc3C)n2)CC[C@@H]1C ZINC001072058457 790036562 /nfs/dbraw/zinc/03/65/62/790036562.db2.gz MLHLPWGQHVPEJU-HOCLYGCPSA-N 0 3 324.428 2.249 20 30 DEEDHN C[C@@H]1CCN(C(=O)C(F)F)C[C@H]1CNCc1ccccc1C#N ZINC001072150280 790070229 /nfs/dbraw/zinc/07/02/29/790070229.db2.gz VXJURWGCOKNOQD-IUODEOHRSA-N 0 3 321.371 2.398 20 30 DEEDHN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNCc1cscn1 ZINC001072281651 790106122 /nfs/dbraw/zinc/10/61/22/790106122.db2.gz UKFXDUVLFZWCHD-UKRRQHHQSA-N 0 3 317.458 2.131 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1)C2 ZINC001072558771 790177778 /nfs/dbraw/zinc/17/77/78/790177778.db2.gz BAPZYSLTCGAFAN-SBSDFTTDSA-N 0 3 309.413 2.394 20 30 DEEDHN 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C#CCN1CCC2(C[C@@H](C)N(C(=O)CC(F)(F)F)C2)CC1 ZINC001086906700 791845362 /nfs/dbraw/zinc/84/53/62/791845362.db2.gz DLJKGMPQFRKVMH-GFCCVEGCSA-N 0 3 302.340 2.275 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccon3)C2)CC1 ZINC001086907646 791845424 /nfs/dbraw/zinc/84/54/24/791845424.db2.gz YHYZXFGDMKZCFU-CQSZACIVSA-N 0 3 301.390 2.015 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccncc3F)C2)CC1 ZINC001086911828 791847685 /nfs/dbraw/zinc/84/76/85/791847685.db2.gz AWWCATWEOAAMTM-AWEZNQCLSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ncoc3CC)C2)CC1 ZINC001086911850 791847918 /nfs/dbraw/zinc/84/79/18/791847918.db2.gz BGXPJAYHJLQFNY-AWEZNQCLSA-N 0 3 315.417 2.187 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCCO3)C2)CC1 ZINC001086916598 791849154 /nfs/dbraw/zinc/84/91/54/791849154.db2.gz OFBJRGJCPAEMDU-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)SC)C2)CC1 ZINC001086916743 791850048 /nfs/dbraw/zinc/85/00/48/791850048.db2.gz 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C#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C[C@]2(C)C1 ZINC001092101316 791931943 /nfs/dbraw/zinc/93/19/43/791931943.db2.gz WTPGNTUPWHLATD-ZTQAJYAQSA-N 0 3 324.424 2.037 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3cc(C)ccc3F)C[C@]2(C)C1 ZINC001092218072 791948671 /nfs/dbraw/zinc/94/86/71/791948671.db2.gz XIYBATSFLCVPRS-APWZRJJASA-N 0 3 314.404 2.090 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001098903263 791979545 /nfs/dbraw/zinc/97/95/45/791979545.db2.gz JBMWOEQOYSOMRY-KSSFIOAISA-N 0 3 310.401 2.333 20 30 DEEDHN CC(=O)NC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC001092417212 792031620 /nfs/dbraw/zinc/03/16/20/792031620.db2.gz JGTSUUMEEXARHX-CZUORRHYSA-N 0 3 304.821 2.396 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOC ZINC001099028456 792049240 /nfs/dbraw/zinc/04/92/40/792049240.db2.gz DIRINCGHZFDSOF-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001099042109 792054561 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C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001099280626 792158265 /nfs/dbraw/zinc/15/82/65/792158265.db2.gz IYWVHFJXEUJAFT-CRAIPNDOSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092890958 792162641 /nfs/dbraw/zinc/16/26/41/792162641.db2.gz MVSWFJXSAYZVGU-ISARSNTHSA-N 0 3 310.441 2.378 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1C(F)(F)F ZINC001099326433 792173261 /nfs/dbraw/zinc/17/32/61/792173261.db2.gz KJXFZCDINLMJHN-GHMZBOCLSA-N 0 3 317.311 2.070 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001092981673 792182354 /nfs/dbraw/zinc/18/23/54/792182354.db2.gz IMGNDOHLSNXLAY-KQYWXNLTSA-N 0 3 312.841 2.014 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCC(F)F)CC2(CCOCC2)C1 ZINC001099585127 792253382 /nfs/dbraw/zinc/25/33/82/792253382.db2.gz LZOLXXSJCITRLF-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@H](C)C(C)C)CC2(CCOCC2)C1 ZINC001099593375 792256742 /nfs/dbraw/zinc/25/67/42/792256742.db2.gz 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CCC(CC)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101408139 793146157 /nfs/dbraw/zinc/14/61/57/793146157.db2.gz ODFPRPLHSJOQQT-MJGOQNOKSA-N 0 3 320.477 2.243 20 30 DEEDHN C#CCCN1CCC[C@@H](N[C@@H]2CSc3ccccc3C2)C1=O ZINC001172204465 793363865 /nfs/dbraw/zinc/36/38/65/793363865.db2.gz PKYXUOVMTVDBMQ-JKSUJKDBSA-N 0 3 314.454 2.307 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2conc2CC)C[C@H]1C ZINC001101805173 793384935 /nfs/dbraw/zinc/38/49/35/793384935.db2.gz JVJOGLCTXCUROD-ZIAGYGMSSA-N 0 3 305.422 2.387 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001172313360 793395887 /nfs/dbraw/zinc/39/58/87/793395887.db2.gz VOFNTAJOLPHFHI-KBXCAEBGSA-N 0 3 311.429 2.480 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CN(CC#CCOC)C[C@H]2C)CCC1 ZINC001102331895 793578145 /nfs/dbraw/zinc/57/81/45/793578145.db2.gz XSDGGGRJIZLCEN-IAGOWNOFSA-N 0 3 318.461 2.067 20 30 DEEDHN CC[C@H](C)CCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102477486 793627473 /nfs/dbraw/zinc/62/74/73/793627473.db2.gz DIQLQYGCJGEWPT-GVDBMIGSSA-N 0 3 308.466 2.147 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1CCNC(=O)C(F)F ZINC001102630046 793678880 /nfs/dbraw/zinc/67/88/80/793678880.db2.gz PPCOSUPYDVIVAL-TZMCWYRMSA-N 0 3 321.371 2.398 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ncoc2C)C1 ZINC001102737381 793731822 /nfs/dbraw/zinc/73/18/22/793731822.db2.gz KZYLVGGEZGMPCF-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596170 793776172 /nfs/dbraw/zinc/77/61/72/793776172.db2.gz MIUBGJXFHLYIEI-UHFFFAOYSA-N 0 3 321.465 2.418 20 30 DEEDHN CC[C@H](CNC(=O)CN(CC)CC)Nc1cccc(F)c1C#N ZINC001103097069 793939030 /nfs/dbraw/zinc/93/90/30/793939030.db2.gz XRPKPFQVUXDGFQ-CYBMUJFWSA-N 0 3 320.412 2.346 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174978392 794112496 /nfs/dbraw/zinc/11/24/96/794112496.db2.gz MNXFSQQXUSWKOP-CYBMUJFWSA-N 0 3 307.442 2.234 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc(C)nc1C1CC1 ZINC001174980902 794118353 /nfs/dbraw/zinc/11/83/53/794118353.db2.gz ZKHHMMZASMZXOP-UHFFFAOYSA-N 0 3 308.813 2.124 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCc1ccccc1OC ZINC001175493960 794218553 /nfs/dbraw/zinc/21/85/53/794218553.db2.gz ZLHNGNPNWCJYJO-UHFFFAOYSA-N 0 3 310.825 2.476 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)n1nc(C)cc1C ZINC001176132420 794354698 /nfs/dbraw/zinc/35/46/98/794354698.db2.gz HKUMUZHFLRJKRG-AWEZNQCLSA-N 0 3 312.845 2.299 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001176117510 794362575 /nfs/dbraw/zinc/36/25/75/794362575.db2.gz AIOHVLRVNSDLOZ-UHFFFAOYSA-N 0 3 308.769 2.132 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@]12CCC[C@H]1CN(CC#CC)C2)OCC ZINC001111766844 794473539 /nfs/dbraw/zinc/47/35/39/794473539.db2.gz DSNSKDLSLVQXNM-LNLFQRSKSA-N 0 3 318.461 2.352 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)c2ccncc2)C1 ZINC001111788995 794481592 /nfs/dbraw/zinc/48/15/92/794481592.db2.gz SDWRIYMHBBMDKX-IEZWGBDMSA-N 0 3 311.429 2.179 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001176813703 794504130 /nfs/dbraw/zinc/50/41/30/794504130.db2.gz AIMBNPDUHKBBDM-KGLIPLIRSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001111861174 794504167 /nfs/dbraw/zinc/50/41/67/794504167.db2.gz ZDPVZGXCQKUJCA-DYEKYZERSA-N 0 3 302.340 2.179 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC(F)(F)F)C1 ZINC001111880177 794511789 /nfs/dbraw/zinc/51/17/89/794511789.db2.gz ODHZTJMLYGDAIT-JSGCOSHPSA-N 0 3 302.340 2.323 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001111960155 794535395 /nfs/dbraw/zinc/53/53/95/794535395.db2.gz SFEAQJTTYYENAH-JZXOWHBKSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccc(C)o2)C1 ZINC001112002524 794543311 /nfs/dbraw/zinc/54/33/11/794543311.db2.gz JZOICLUDDBJNJI-YJBOKZPZSA-N 0 3 300.402 2.125 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112094156 794558625 /nfs/dbraw/zinc/55/86/25/794558625.db2.gz WMEVLFOMXDXYOF-CHWSQXEVSA-N 0 3 316.367 2.425 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1cc(F)cc(F)c1 ZINC001177132731 794590096 /nfs/dbraw/zinc/59/00/96/794590096.db2.gz YNDHYDYMHSNEQP-UHFFFAOYSA-N 0 3 318.751 2.192 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cc(F)ccc1F ZINC001115302210 794728093 /nfs/dbraw/zinc/72/80/93/794728093.db2.gz PGAWEXMZMDLFJH-HALDLXJZSA-N 0 3 306.356 2.130 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(NCc2ccc(F)cn2)CCCCC1 ZINC001115452207 794777747 /nfs/dbraw/zinc/77/77/47/794777747.db2.gz SZPYTUPKYMWXKQ-ZDUSSCGKSA-N 0 3 318.396 2.289 20 30 DEEDHN CCc1nocc1CNC1(CNC(=O)[C@@H](C)C#N)CCCCC1 ZINC001115451791 794777954 /nfs/dbraw/zinc/77/79/54/794777954.db2.gz GQXHZCOMYYVVMB-ZDUSSCGKSA-N 0 3 318.421 2.305 20 30 DEEDHN CCO[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178180140 794853606 /nfs/dbraw/zinc/85/36/06/794853606.db2.gz ZYGGXOBRSSBUQZ-ZOWXZIJZSA-N 0 3 321.446 2.124 20 30 DEEDHN CC(C)OCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178282526 794883090 /nfs/dbraw/zinc/88/30/90/794883090.db2.gz PPZQQYVHDOAYBR-WFASDCNBSA-N 0 3 321.446 2.124 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCC(=O)NCCC(C)(C)C)[C@@H]1C ZINC001178324209 794900045 /nfs/dbraw/zinc/90/00/45/794900045.db2.gz LDRAUDOPZAPUPX-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cncs2)[C@@H]1C ZINC001178503623 794945212 /nfs/dbraw/zinc/94/52/12/794945212.db2.gz IOFPKQHIXIODOX-ZFWWWQNUSA-N 0 3 305.447 2.416 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179335816 795100991 /nfs/dbraw/zinc/10/09/91/795100991.db2.gz RKVCTYUTFSEIIM-HNNXBMFYSA-N 0 3 321.469 2.184 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC(C)(C)C)[C@H]1C ZINC001179755652 795173632 /nfs/dbraw/zinc/17/36/32/795173632.db2.gz YKSJVMLWHHXXAI-ILXRZTDVSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001180268897 795267970 /nfs/dbraw/zinc/26/79/70/795267970.db2.gz JAQYSFYCVHRGSX-GUTXKFCHSA-N 0 3 323.462 2.122 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1=O ZINC001119697391 795340108 /nfs/dbraw/zinc/34/01/08/795340108.db2.gz MPQVLTIRSJGGFH-IMJJTQAJSA-N 0 3 313.401 2.318 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001180714044 795357745 /nfs/dbraw/zinc/35/77/45/795357745.db2.gz JJQSZLFOCCUUGI-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1c[nH]c2ncccc12 ZINC001181037820 795414802 /nfs/dbraw/zinc/41/48/02/795414802.db2.gz YHDLEGAYEAAXGS-HNNXBMFYSA-N 0 3 312.417 2.262 20 30 DEEDHN CC(C)SCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181082116 795423897 /nfs/dbraw/zinc/42/38/97/795423897.db2.gz RFPSPHXEKVRTKD-GFCCVEGCSA-N 0 3 323.487 2.452 20 30 DEEDHN Cc1cc(CNC[C@]2(C)CN(C(=O)C#CC(C)C)C[C@H]2C)on1 ZINC001181460102 795475430 /nfs/dbraw/zinc/47/54/30/795475430.db2.gz AHGVKDWHMTXRGI-RDTXWAMCSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2cnc(C)s2)C1 ZINC001181468631 795477226 /nfs/dbraw/zinc/47/72/26/795477226.db2.gz CQFZWNGHZJZTMG-TZMCWYRMSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001181751025 795533073 /nfs/dbraw/zinc/53/30/73/795533073.db2.gz IUYCMEZJDQVDDC-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3ocnc3C)C2)C1 ZINC001120819151 795536114 /nfs/dbraw/zinc/53/61/14/795536114.db2.gz PPRLRHIKLIUWEA-UHFFFAOYSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3nccnc3C)C2)C1 ZINC001120818644 795536517 /nfs/dbraw/zinc/53/65/17/795536517.db2.gz ADGMEGIHLCMDNP-UHFFFAOYSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(C)CCC(=O)NC1CC2(CC(NCc3cnns3)C2)C1 ZINC001121183891 795600768 /nfs/dbraw/zinc/60/07/68/795600768.db2.gz PQJPOJMDGLWECO-UHFFFAOYSA-N 0 3 320.462 2.411 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC001121862589 795697283 /nfs/dbraw/zinc/69/72/83/795697283.db2.gz KNHXNCAVCXBREY-OAGGEKHMSA-N 0 3 323.481 2.213 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@H]2CCCO2)c1 ZINC001122449649 795758831 /nfs/dbraw/zinc/75/88/31/795758831.db2.gz VDDSLXKZSVRIPB-KCPJHIHWSA-N 0 3 316.357 2.158 20 30 DEEDHN CC[C@@H](C)CCCCC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001182874345 795772315 /nfs/dbraw/zinc/77/23/15/795772315.db2.gz RBFSYGSVIHDGGZ-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001182894430 795776360 /nfs/dbraw/zinc/77/63/60/795776360.db2.gz XAGWEVAKEJZMHX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(CC)c1 ZINC001122708260 795796159 /nfs/dbraw/zinc/79/61/59/795796159.db2.gz UICQCDDHNBJSDA-ZDUSSCGKSA-N 0 3 320.776 2.292 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CC1CCC2(CC1)OCCO2 ZINC001183346910 795861569 /nfs/dbraw/zinc/86/15/69/795861569.db2.gz SQZNEEKXVAJJSO-INIZCTEOSA-N 0 3 322.449 2.076 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001183794092 795937281 /nfs/dbraw/zinc/93/72/81/795937281.db2.gz VTNOTRFISFNVGL-ZWKOTPCHSA-N 0 3 312.413 2.018 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001184201823 796010876 /nfs/dbraw/zinc/01/08/76/796010876.db2.gz YUXUVJKBPCKRIE-OAHLLOKOSA-N 0 3 306.356 2.381 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCC(F)(F)F)s1 ZINC001125226676 796107943 /nfs/dbraw/zinc/10/79/43/796107943.db2.gz GSFYHIAMIQJCMC-UHFFFAOYSA-N 0 3 305.325 2.168 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001185064112 796173708 /nfs/dbraw/zinc/17/37/08/796173708.db2.gz LYSGLVDZMPDUGW-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCOc1ccc(CN2C[C@@H](CO)CC[C@H]2C)cc1OC ZINC001138342760 796200087 /nfs/dbraw/zinc/20/00/87/796200087.db2.gz CXUYUVLLILXKHZ-ZBFHGGJFSA-N 0 3 303.402 2.300 20 30 DEEDHN Cc1nocc1CN[C@@H]1C[C@@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202869000 796291070 /nfs/dbraw/zinc/29/10/70/796291070.db2.gz YRCMVULONLUQNG-HZPDHXFCSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOCC ZINC001110367566 796309026 /nfs/dbraw/zinc/30/90/26/796309026.db2.gz MAXSIJGPTTWERJ-VQHPVUNQSA-N 0 3 324.465 2.116 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202909098 796342172 /nfs/dbraw/zinc/34/21/72/796342172.db2.gz DGBHBLRRHDDXLW-HUUCEWRRSA-N 0 3 315.442 2.074 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202910014 796347315 /nfs/dbraw/zinc/34/73/15/796347315.db2.gz LLUAEFLQGXCVNF-CABCVRRESA-N 0 3 315.442 2.074 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001186040050 796354507 /nfs/dbraw/zinc/35/45/07/796354507.db2.gz BTNPMACAZUYJLI-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCn1cc(CN2CCC[C@]3(CCC(=O)N3)[C@H]2CC)cn1 ZINC001139769745 796424173 /nfs/dbraw/zinc/42/41/73/796424173.db2.gz PMGCMIPBFSMJJL-WBVHZDCISA-N 0 3 302.422 2.092 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](O)Cc1ccccc1Cl ZINC001139869635 796439123 /nfs/dbraw/zinc/43/91/23/796439123.db2.gz NZRQRZSMCFHFEE-INIZCTEOSA-N 0 3 324.852 2.210 20 30 DEEDHN CC[C@H](CC(=O)N1CC[C@@H](NCC#CCOC)C1)C(C)(C)C ZINC001187027195 796473178 /nfs/dbraw/zinc/47/31/78/796473178.db2.gz DHSCFNOVSXMLDB-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@]4(CCNC4=O)C3)c2c1 ZINC001140113380 796478790 /nfs/dbraw/zinc/47/87/90/796478790.db2.gz YOGOMPNGYZRDEH-SFHVURJKSA-N 0 3 308.385 2.142 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC)Oc2ccccc2F)C1 ZINC001187077022 796485323 /nfs/dbraw/zinc/48/53/23/796485323.db2.gz KKYUOFLVWUUJIL-GDBMZVCRSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H]2CN(Cc3cccc(C)c3)C[C@H]21 ZINC001187296578 796520375 /nfs/dbraw/zinc/52/03/75/796520375.db2.gz OROVLUCFMHHTCI-ZWKOTPCHSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(CO)o1)CC2 ZINC001140681354 796556421 /nfs/dbraw/zinc/55/64/21/796556421.db2.gz SKQSSKFPXVFQDG-GOSISDBHSA-N 0 3 318.417 2.305 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC001187635923 796557613 /nfs/dbraw/zinc/55/76/13/796557613.db2.gz JVWXIGZJSBFLKY-QGZVFWFLSA-N 0 3 314.429 2.066 20 30 DEEDHN COCCCCN1CCN(Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140755544 796568335 /nfs/dbraw/zinc/56/83/35/796568335.db2.gz JMNQEYKUNAGZPP-UHFFFAOYSA-N 0 3 323.387 2.381 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001187812108 796581521 /nfs/dbraw/zinc/58/15/21/796581521.db2.gz IRIHQVDKZAAWJW-DLBZAZTESA-N 0 3 304.434 2.222 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cc(C)[nH]n1)C2 ZINC001203074848 796590894 /nfs/dbraw/zinc/59/08/94/796590894.db2.gz WPPLXYISHIEMKQ-SJORKVTESA-N 0 3 305.422 2.292 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC001188064135 796620979 /nfs/dbraw/zinc/62/09/79/796620979.db2.gz IMZQJMPFFDYHLO-CQSZACIVSA-N 0 3 320.458 2.325 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 ZINC001188126236 796629307 /nfs/dbraw/zinc/62/93/07/796629307.db2.gz UVZFYPVBQDPPCA-OAHLLOKOSA-N 0 3 306.356 2.111 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001188251229 796647300 /nfs/dbraw/zinc/64/73/00/796647300.db2.gz GEWKQHRTIXUIHQ-IXDOHACOSA-N 0 3 300.377 2.143 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000838624349 796672104 /nfs/dbraw/zinc/67/21/04/796672104.db2.gz SNFDUKRSLZLNGX-UHFFFAOYSA-N 0 3 316.405 2.030 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001188863316 796728943 /nfs/dbraw/zinc/72/89/43/796728943.db2.gz RLAHCQJDOKTJNH-LBPRGKRZSA-N 0 3 312.797 2.282 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCOc3ccc(F)cc3)[C@@H]2C1 ZINC001189011423 796755884 /nfs/dbraw/zinc/75/58/84/796755884.db2.gz ATOPNXOCZJWDAD-WMLDXEAASA-N 0 3 318.392 2.313 20 30 DEEDHN N#Cc1ccc2c(CN3CCC[C@@H](n4cncn4)C3)c[nH]c2c1 ZINC001142922847 796785816 /nfs/dbraw/zinc/78/58/16/796785816.db2.gz YFMGCGQPZWPAKE-OAHLLOKOSA-N 0 3 306.373 2.468 20 30 DEEDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]21 ZINC001142922501 796785890 /nfs/dbraw/zinc/78/58/90/796785890.db2.gz KCIAXNNRBACMBZ-QLPKVWCKSA-N 0 3 309.369 2.280 20 30 DEEDHN N#Cc1ccc2c(CN3CC[C@@H](Oc4ncccn4)C3)c[nH]c2c1 ZINC001142931388 796786719 /nfs/dbraw/zinc/78/67/19/796786719.db2.gz PSOZIWGETKGKDQ-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149261627 796834573 /nfs/dbraw/zinc/83/45/73/796834573.db2.gz AGADDALVPXJROE-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](N(C)C[C@@H]2CCCCO2)C1 ZINC001189575695 796851345 /nfs/dbraw/zinc/85/13/45/796851345.db2.gz XESKJQZWNBDUTI-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H](OCC)C(=C)C)C1 ZINC001149804696 796897494 /nfs/dbraw/zinc/89/74/94/796897494.db2.gz UFWXPUHCBMJDAT-IRXDYDNUSA-N 0 3 324.465 2.141 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001149929873 796906328 /nfs/dbraw/zinc/90/63/28/796906328.db2.gz FZYFHQDSVJRRFJ-DOTOQJQBSA-N 0 3 308.466 2.289 20 30 DEEDHN CN(CCOc1ccccc1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001190075886 796933890 /nfs/dbraw/zinc/93/38/90/796933890.db2.gz GMAOPWOGLMASOA-KRWDZBQOSA-N 0 3 312.413 2.012 20 30 DEEDHN CN(C[C@@H]1CCCCO1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084585 796935394 /nfs/dbraw/zinc/93/53/94/796935394.db2.gz PQXSYOUOHBDWKT-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN Cc1nc(C)c(C(=O)NCCNCc2cccc(C#N)c2)s1 ZINC001150376528 796939296 /nfs/dbraw/zinc/93/92/96/796939296.db2.gz IMZFILHWCQOMFF-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001150396019 796940640 /nfs/dbraw/zinc/94/06/40/796940640.db2.gz YMLZRXANZZGPRJ-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN Cc1ccccc1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001150542385 796952459 /nfs/dbraw/zinc/95/24/59/796952459.db2.gz KJCSTCAIEHPTJX-UHFFFAOYSA-N 0 3 307.397 2.315 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2csc(C)n2)C1 ZINC001190195085 796960756 /nfs/dbraw/zinc/96/07/56/796960756.db2.gz AISKTADQZMIRIG-HNNXBMFYSA-N 0 3 307.463 2.493 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)CCOCC)C1 ZINC001190355286 796986421 /nfs/dbraw/zinc/98/64/21/796986421.db2.gz XWPOYYSAJNMBEJ-ZDUSSCGKSA-N 0 3 302.846 2.334 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C2(CCF)CC2)CC1 ZINC001151232803 797025255 /nfs/dbraw/zinc/02/52/55/797025255.db2.gz YWLMLLQZLJJPEE-UHFFFAOYSA-N 0 3 312.429 2.300 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2nc(C)oc2C)CC1 ZINC001151367358 797036814 /nfs/dbraw/zinc/03/68/14/797036814.db2.gz AKZAHBWNQTZNCA-UHFFFAOYSA-N 0 3 321.421 2.078 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@H](N(C)CCOC3CCC3)C2)CCC1 ZINC001190605695 797040199 /nfs/dbraw/zinc/04/01/99/797040199.db2.gz YUYAXDBUVCKGOR-INIZCTEOSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2c[nH]cc2C)CC1 ZINC001151410095 797040389 /nfs/dbraw/zinc/04/03/89/797040389.db2.gz OOZYCIIGBUPIOD-UHFFFAOYSA-N 0 3 305.422 2.110 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001190989265 797120215 /nfs/dbraw/zinc/12/02/15/797120215.db2.gz NJIRLDXIKDUPMC-CQSZACIVSA-N 0 3 316.392 2.157 20 30 DEEDHN CCCCCCCCNC(=O)NCCCN1CCN(C)CC1 ZINC001191046601 797135018 /nfs/dbraw/zinc/13/50/18/797135018.db2.gz GLLKHTLQGXUXLS-UHFFFAOYSA-N 0 3 312.502 2.284 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)s2)c(C)n1 ZINC001152078060 797140385 /nfs/dbraw/zinc/14/03/85/797140385.db2.gz CKDHAQCTUKKDBE-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@H](C)OC ZINC001152320307 797171294 /nfs/dbraw/zinc/17/12/94/797171294.db2.gz RPTLKFZDTAVXFO-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN CCN(Cc1ccc(OC)c(F)c1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450068 797188163 /nfs/dbraw/zinc/18/81/63/797188163.db2.gz QNVVXGWPGUNFPX-QWHCGFSZSA-N 0 3 321.396 2.321 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001191902010 797284452 /nfs/dbraw/zinc/28/44/52/797284452.db2.gz LPDYESYJRDECCW-JKSUJKDBSA-N 0 3 304.438 2.018 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001153135221 797290537 /nfs/dbraw/zinc/29/05/37/797290537.db2.gz NYUPNRRJLHBXLH-JTQLQIEISA-N 0 3 302.827 2.198 20 30 DEEDHN COCC#CCNCCNC(=O)C[C@@H](C)CCc1ccccc1 ZINC001153216073 797301673 /nfs/dbraw/zinc/30/16/73/797301673.db2.gz XVSKCUNCKMKBQK-KRWDZBQOSA-N 0 3 316.445 2.001 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001153306721 797318487 /nfs/dbraw/zinc/31/84/87/797318487.db2.gz PFCZGGKOFDLOKW-ZIAGYGMSSA-N 0 3 308.447 2.113 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2ccc(F)s2)ccc1F ZINC001153356674 797327719 /nfs/dbraw/zinc/32/77/19/797327719.db2.gz XSAPQVGQFHGPQI-UHFFFAOYSA-N 0 3 321.352 2.418 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnn1CC1CCC1 ZINC001153367652 797329827 /nfs/dbraw/zinc/32/98/27/797329827.db2.gz ATASNSLGANWIHH-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001192178136 797340221 /nfs/dbraw/zinc/34/02/21/797340221.db2.gz GHEYYEGGNZTZLP-BPLDGKMQSA-N 0 3 310.413 2.300 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1(CC(C)C)CC1 ZINC001153779791 797393774 /nfs/dbraw/zinc/39/37/74/797393774.db2.gz MJVBNIOSRZXXKR-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001192675407 797430057 /nfs/dbraw/zinc/43/00/57/797430057.db2.gz JKUHBMQCFMSJIY-BFHYXJOUSA-N 0 3 308.447 2.186 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc2cccnc2c1 ZINC001153986095 797437770 /nfs/dbraw/zinc/43/77/70/797437770.db2.gz UTACJUFICKUVLW-OAHLLOKOSA-N 0 3 309.413 2.237 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001192721881 797440780 /nfs/dbraw/zinc/44/07/80/797440780.db2.gz DLFISAYHJWMXMW-NILFDRSVSA-N 0 3 308.447 2.186 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001154139951 797471886 /nfs/dbraw/zinc/47/18/86/797471886.db2.gz AZWJRSMBQIZJBW-GFCCVEGCSA-N 0 3 324.856 2.481 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2cccnc2)c1 ZINC001154175826 797479124 /nfs/dbraw/zinc/47/91/24/797479124.db2.gz ZVDGTLXBMDEJKH-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@H]1C=CCC1 ZINC001154483109 797543771 /nfs/dbraw/zinc/54/37/71/797543771.db2.gz QERGCZFWEAMDES-LBPRGKRZSA-N 0 3 301.228 2.347 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001193336927 797547529 /nfs/dbraw/zinc/54/75/29/797547529.db2.gz BKYYIVDWMCDWID-GUFYHEMZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cc(Cl)c[nH]1 ZINC001154574108 797563981 /nfs/dbraw/zinc/56/39/81/797563981.db2.gz MMSRLSFGDLQKEH-UHFFFAOYSA-N 0 3 320.618 2.286 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccc(C)nc1 ZINC001154672818 797588201 /nfs/dbraw/zinc/58/82/01/797588201.db2.gz PXMFGGWIXOMQMZ-UHFFFAOYSA-N 0 3 312.211 2.008 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001193662585 797606180 /nfs/dbraw/zinc/60/61/80/797606180.db2.gz GWPIVBMRZXTIBH-QGZVFWFLSA-N 0 3 302.418 2.344 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001193722366 797611881 /nfs/dbraw/zinc/61/18/81/797611881.db2.gz DTMHFMZDCHJCBG-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN Cc1ccnc(-n2nc(C(F)(F)F)c3c2CCNC3)c1C#N ZINC001154845775 797625662 /nfs/dbraw/zinc/62/56/62/797625662.db2.gz AHVGKZNCVBPYJQ-UHFFFAOYSA-N 0 3 307.279 2.112 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(C)nc2C)C1 ZINC001194200857 797691926 /nfs/dbraw/zinc/69/19/26/797691926.db2.gz PALHNMAPCUHMJF-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN C[C@H](N)c1nc2ccccc2n1-c1nc2c(cc1C#N)COCC2 ZINC001155258607 797719751 /nfs/dbraw/zinc/71/97/51/797719751.db2.gz QXCGNKAHHDGYIE-NSHDSACASA-N 0 3 319.368 2.385 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(F)s2)C1 ZINC001194430188 797731300 /nfs/dbraw/zinc/73/13/00/797731300.db2.gz SMOHPOQBGZYIOU-GFCCVEGCSA-N 0 3 312.410 2.236 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001195031150 797817185 /nfs/dbraw/zinc/81/71/85/797817185.db2.gz YAGQSYZFAYXFCT-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2cscn2)c(F)c1 ZINC001155684501 797826591 /nfs/dbraw/zinc/82/65/91/797826591.db2.gz SPOLMWXXROTMRZ-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC[C@H]2CCCO2)CC1 ZINC001195175023 797850572 /nfs/dbraw/zinc/85/05/72/797850572.db2.gz YHGCVSAYOWMXSM-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)c1c(C)noc1C ZINC001155825819 797858670 /nfs/dbraw/zinc/85/86/70/797858670.db2.gz SIIMHXJZJHDIDP-CHWSQXEVSA-N 0 3 305.422 2.245 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001155839237 797862461 /nfs/dbraw/zinc/86/24/61/797862461.db2.gz UBVLLFOCNCSRDP-CABCVRRESA-N 0 3 314.429 2.474 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC001195452939 797903358 /nfs/dbraw/zinc/90/33/58/797903358.db2.gz RWOKISQUYDFGDV-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCc1cccnc1 ZINC001156082477 797921738 /nfs/dbraw/zinc/92/17/38/797921738.db2.gz DQXRJUVFCAKKKQ-MRXNPFEDSA-N 0 3 301.434 2.254 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195532553 797921878 /nfs/dbraw/zinc/92/18/78/797921878.db2.gz PWXDQNIBVUQVCV-BEKDMHARSA-N 0 3 308.466 2.496 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001156200856 797946882 /nfs/dbraw/zinc/94/68/82/797946882.db2.gz RLQWCDQIZMLFON-CYBMUJFWSA-N 0 3 312.417 2.335 20 30 DEEDHN COCCCCCN1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195781204 797960664 /nfs/dbraw/zinc/96/06/64/797960664.db2.gz PYHDLRXHHBROSY-UHFFFAOYSA-N 0 3 308.466 2.387 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195792617 797963043 /nfs/dbraw/zinc/96/30/43/797963043.db2.gz WVKWLZBXPQRKKL-MRXNPFEDSA-N 0 3 304.434 2.059 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2occc2Cl)C1 ZINC001195888078 797975720 /nfs/dbraw/zinc/97/57/20/797975720.db2.gz FAICDMJHMGFRKK-RAIGVLPGSA-N 0 3 312.797 2.063 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccnc1OCC(C)C ZINC001156449070 798002716 /nfs/dbraw/zinc/00/27/16/798002716.db2.gz PABXUHRSIZKNIY-OAHLLOKOSA-N 0 3 317.433 2.190 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1OCCc2ccccc21 ZINC001156475627 798009830 /nfs/dbraw/zinc/00/98/30/798009830.db2.gz OIFCWUAWTZKAQS-QAPCUYQASA-N 0 3 314.429 2.150 20 30 DEEDHN Cc1ncc(C#N)c(-n2cncc2CNCc2ccccc2)n1 ZINC001156482028 798012392 /nfs/dbraw/zinc/01/23/92/798012392.db2.gz CWOZVYIKONSSKG-UHFFFAOYSA-N 0 3 304.357 2.132 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196243106 798030869 /nfs/dbraw/zinc/03/08/69/798030869.db2.gz TZYVJGGANUFEEJ-QGZVFWFLSA-N 0 3 316.449 2.028 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001196589373 798080803 /nfs/dbraw/zinc/08/08/03/798080803.db2.gz HMLYKIJVDQJWDK-USXIJHARSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCOc1cccnc1 ZINC001157030932 798130645 /nfs/dbraw/zinc/13/06/45/798130645.db2.gz RDSAGXIKNMJAST-MRXNPFEDSA-N 0 3 317.433 2.091 20 30 DEEDHN C=C(Br)CNCCCNC(=O)/C=C/c1ccc[nH]1 ZINC001157074380 798138674 /nfs/dbraw/zinc/13/86/74/798138674.db2.gz WODZQRANGOIZRO-AATRIKPKSA-N 0 3 312.211 2.032 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001157132189 798147901 /nfs/dbraw/zinc/14/79/01/798147901.db2.gz DTEIOOCGNOLLCH-AEFFLSMTSA-N 0 3 315.461 2.139 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cc2ccccc2n1C ZINC001157190093 798159716 /nfs/dbraw/zinc/15/97/16/798159716.db2.gz AIMGAYPRWJCXGW-OAHLLOKOSA-N 0 3 311.429 2.181 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC(F)(F)C(F)(F)F ZINC001157333854 798185575 /nfs/dbraw/zinc/18/55/75/798185575.db2.gz PYZREZDVDBYRHC-SNVBAGLBSA-N 0 3 314.298 2.424 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)SC ZINC001157578009 798234201 /nfs/dbraw/zinc/23/42/01/798234201.db2.gz KUYAEAOCJQHYIW-LSDHHAIUSA-N 0 3 314.495 2.253 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCn2nccc21 ZINC001158142807 798350454 /nfs/dbraw/zinc/35/04/54/798350454.db2.gz ZMFMUYHTIOEKGJ-CVEARBPZSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1OC ZINC001198514620 798351942 /nfs/dbraw/zinc/35/19/42/798351942.db2.gz DDRSGQFEAJWPGD-RDJZCZTQSA-N 0 3 318.417 2.197 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@@H](C)OC)c1ccccc1OC ZINC001198576193 798357849 /nfs/dbraw/zinc/35/78/49/798357849.db2.gz AMZQFVUNGWILCP-UKRRQHHQSA-N 0 3 306.406 2.053 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ncc2ccccn21 ZINC001158217148 798361971 /nfs/dbraw/zinc/36/19/71/798361971.db2.gz DTRREUUXYRFXQK-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cc(CC)nn1C ZINC001158246649 798366090 /nfs/dbraw/zinc/36/60/90/798366090.db2.gz YEZMKKUYUVEONE-MRXNPFEDSA-N 0 3 318.465 2.024 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001199165095 798447057 /nfs/dbraw/zinc/44/70/57/798447057.db2.gz YQASSZZALGPDEJ-IAGOWNOFSA-N 0 3 310.482 2.432 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001199202325 798450684 /nfs/dbraw/zinc/45/06/84/798450684.db2.gz ZOOMFNNLBOPXIY-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1csc(C)n1 ZINC001158830174 798475619 /nfs/dbraw/zinc/47/56/19/798475619.db2.gz SXTOJWASGWVRGZ-OAHLLOKOSA-N 0 3 307.463 2.493 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCc1cnc(C)cn1 ZINC001158850183 798478630 /nfs/dbraw/zinc/47/86/30/798478630.db2.gz UBGVOPDUQLRENS-UHFFFAOYSA-N 0 3 310.829 2.160 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1C=CC=CC=C1 ZINC001159026787 798508602 /nfs/dbraw/zinc/50/86/02/798508602.db2.gz MZTTXVIJSTZJOS-UHFFFAOYSA-N 0 3 311.223 2.289 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCCNCc1c(C)noc1C)OCC ZINC001159143354 798528605 /nfs/dbraw/zinc/52/86/05/798528605.db2.gz BSFQLZNWJKGCSK-INIZCTEOSA-N 0 3 323.437 2.259 20 30 DEEDHN N#Cc1ccc(CNc2cccc(N3CCOCC3)n2)s1 ZINC001159176517 798533945 /nfs/dbraw/zinc/53/39/45/798533945.db2.gz FWRFGRYSMHRJAB-UHFFFAOYSA-N 0 3 300.387 2.463 20 30 DEEDHN C=CCOCC(=O)N1CCC(NCc2ccncc2Cl)CC1 ZINC001199788446 798539532 /nfs/dbraw/zinc/53/95/32/798539532.db2.gz QMHBYBOUDIJVOE-UHFFFAOYSA-N 0 3 323.824 2.018 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCCC1CCOCC1 ZINC001159414466 798561903 /nfs/dbraw/zinc/56/19/03/798561903.db2.gz VSYSAMVKGIJFLG-UHFFFAOYSA-N 0 3 302.846 2.432 20 30 DEEDHN C[C@H](Nc1ncccc1C#C[Si](C)(C)C)[C@@H]1CNCCO1 ZINC001159501275 798573921 /nfs/dbraw/zinc/57/39/21/798573921.db2.gz VYDOKLZQXHVDFQ-ZFWWWQNUSA-N 0 3 303.482 2.099 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2nccn2CC)CC1 ZINC001200148605 798592835 /nfs/dbraw/zinc/59/28/35/798592835.db2.gz UJVKBDBRKCNYFP-UHFFFAOYSA-N 0 3 316.449 2.177 20 30 DEEDHN N#C[C@@H](NC(=S)NCCN1CCCCC1)c1ccccc1 ZINC001200416586 798623861 /nfs/dbraw/zinc/62/38/61/798623861.db2.gz HCLBXWMXLCDIIR-OAHLLOKOSA-N 0 3 302.447 2.201 20 30 DEEDHN CC(C)COCCN1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001160081219 798645958 /nfs/dbraw/zinc/64/59/58/798645958.db2.gz IZXHVQUQSGMEID-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)Cn2ccc(C)n2)CC1 ZINC001160235107 798664718 /nfs/dbraw/zinc/66/47/18/798664718.db2.gz AYFVHVGAGIRAHO-OAHLLOKOSA-N 0 3 316.449 2.152 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccnn2C(C)C)CC1 ZINC001160242429 798665391 /nfs/dbraw/zinc/66/53/91/798665391.db2.gz QQJRYACWWCQSGS-UHFFFAOYSA-N 0 3 302.422 2.402 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001160324029 798674187 /nfs/dbraw/zinc/67/41/87/798674187.db2.gz FSZJRBRYXYVREC-MSOLQXFVSA-N 0 3 318.461 2.209 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001160648959 798715544 /nfs/dbraw/zinc/71/55/44/798715544.db2.gz KIVXCHJSQUZAET-MJGOQNOKSA-N 0 3 316.445 2.107 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCO[C@@H](CNC/C=C\Cl)C2)C1 ZINC001201365730 798742516 /nfs/dbraw/zinc/74/25/16/798742516.db2.gz HIBOHCCOZXXCLK-MFBWXBCUSA-N 0 3 312.841 2.302 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](C)CC2CCCC2)CCCO1 ZINC001201547172 798767791 /nfs/dbraw/zinc/76/77/91/798767791.db2.gz QTMUFXLXITYELT-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](C)CCC(C)(C)C)CCCO1 ZINC001201871791 798806138 /nfs/dbraw/zinc/80/61/38/798806138.db2.gz LOTGZPWWSGGCSX-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN COc1cccc(CN2CC[C@H](Nc3cnc(C#N)c(C)n3)C2)c1 ZINC001161192186 798807186 /nfs/dbraw/zinc/80/71/86/798807186.db2.gz DTTLXYRALPTMAO-HNNXBMFYSA-N 0 3 323.400 2.352 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202085656 798825629 /nfs/dbraw/zinc/82/56/29/798825629.db2.gz XBPOXMMKCIUZNO-UONOGXRCSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC001202122389 798829381 /nfs/dbraw/zinc/82/93/81/798829381.db2.gz AARWSXXMXFAEEV-ZDUSSCGKSA-N 0 3 321.421 2.366 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CC=C(C)CC2)CCCO1 ZINC001202126413 798830156 /nfs/dbraw/zinc/83/01/56/798830156.db2.gz UDMYMZLKKUZRRZ-IEBWSBKVSA-N 0 3 318.461 2.353 20 30 DEEDHN CC[C@@H](C)[C@H](OC)C(=O)NCCCNCc1ccccc1C#N ZINC001161389722 798844930 /nfs/dbraw/zinc/84/49/30/798844930.db2.gz ZGCXDAKJMXXKTJ-PBHICJAKSA-N 0 3 317.433 2.215 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC001161808755 798943046 /nfs/dbraw/zinc/94/30/46/798943046.db2.gz NXGHNWFKKOWVTO-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cc(C)ccc1OC ZINC001161989782 798986495 /nfs/dbraw/zinc/98/64/95/798986495.db2.gz FNRXORDAYQWPGS-UHFFFAOYSA-N 0 3 310.825 2.395 20 30 DEEDHN CC#CCN1CCC(CNC(=O)/C(C)=C/CC)(COC)CC1 ZINC001162146327 799020454 /nfs/dbraw/zinc/02/04/54/799020454.db2.gz WVSGVSBMMHVKEB-LZYBPNLTSA-N 0 3 306.450 2.211 20 30 DEEDHN CC#CCN1CCC(CNC(=O)/C=C\C(C)(C)C)(COC)CC1 ZINC001162171307 799026246 /nfs/dbraw/zinc/02/62/46/799026246.db2.gz NAVRGLVLHOVWEZ-HJWRWDBZSA-N 0 3 320.477 2.457 20 30 DEEDHN C#CCN1CCC(CNC(=O)C=C(CC)CC)(COC)CC1 ZINC001162208781 799032682 /nfs/dbraw/zinc/03/26/82/799032682.db2.gz PIOMWHCNQUWSST-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN CC#CCCCC(=O)NCC1(COC)CCN(CC#CC)CC1 ZINC001162423194 799085290 /nfs/dbraw/zinc/08/52/90/799085290.db2.gz AHLAUGSFBFDIBY-UHFFFAOYSA-N 0 3 318.461 2.048 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)CCC)(COC)CC1 ZINC001162441078 799088291 /nfs/dbraw/zinc/08/82/91/799088291.db2.gz GRQBWCQFRPKZII-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)C2CCCC2)(COC)CC1 ZINC001162576500 799122230 /nfs/dbraw/zinc/12/22/30/799122230.db2.gz HEDRCYXLGHPHKO-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CSCCC ZINC001162721123 799158434 /nfs/dbraw/zinc/15/84/34/799158434.db2.gz LPTINFOFWGFIHI-UHFFFAOYSA-N 0 3 318.486 2.424 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC(F)(F)F ZINC001162726902 799159117 /nfs/dbraw/zinc/15/91/17/799159117.db2.gz LQPHNOOIVBHTCS-UHFFFAOYSA-N 0 3 312.335 2.233 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1cc2nc[nH]c2c(C#N)n1 ZINC001162760050 799167960 /nfs/dbraw/zinc/16/79/60/799167960.db2.gz WPQOECWYMUGVDE-SECBINFHSA-N 0 3 303.329 2.188 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1nccc(C#N)c1[N+](=O)[O-] ZINC001162764456 799168827 /nfs/dbraw/zinc/16/88/27/799168827.db2.gz XXDRQMQQQOCYGS-SECBINFHSA-N 0 3 308.301 2.220 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCOC)C12CCC2 ZINC001202541732 799171460 /nfs/dbraw/zinc/17/14/60/799171460.db2.gz CWIXMHKSGZZKQD-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001162897996 799198769 /nfs/dbraw/zinc/19/87/69/799198769.db2.gz SBOHYGGUOYJRGN-BWTSREIZSA-N 0 3 310.441 2.327 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H]1CC[C@@H](F)C1 ZINC001162897878 799199138 /nfs/dbraw/zinc/19/91/38/799199138.db2.gz NHFWOAQSLHMRBZ-ZWKOTPCHSA-N 0 3 316.420 2.419 20 30 DEEDHN C=C(Br)CNCC1(CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001163236169 799285578 /nfs/dbraw/zinc/28/55/78/799285578.db2.gz MEQOUVFCYJSKMZ-JQWIXIFHSA-N 0 3 315.255 2.427 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H](NCc2snnc2C)C12CCC2 ZINC001202616557 799288342 /nfs/dbraw/zinc/28/83/42/799288342.db2.gz IAWZBIBRDKQCQH-UONOGXRCSA-N 0 3 320.462 2.330 20 30 DEEDHN N#Cc1ccc2c(c1)ncnc2N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163646367 799394131 /nfs/dbraw/zinc/39/41/31/799394131.db2.gz PFVCHNCMJASNEF-FUHWJXTLSA-N 0 3 323.400 2.215 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC1(CNCc2ccncc2Cl)CC1 ZINC001163855039 799446512 /nfs/dbraw/zinc/44/65/12/799446512.db2.gz XXJUZDUJGPXWKB-GFCCVEGCSA-N 0 3 320.824 2.271 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCCC1)C2 ZINC001095415397 799584134 /nfs/dbraw/zinc/58/41/34/799584134.db2.gz ZMXVLTOQNBMCGL-PMPSAXMXSA-N 0 3 305.466 2.158 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C(C)(C)C1CC1 ZINC001164367302 799584349 /nfs/dbraw/zinc/58/43/49/799584349.db2.gz XYJBXNWRWAPVKB-UHFFFAOYSA-N 0 3 303.244 2.427 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)[C@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC001164380424 799589510 /nfs/dbraw/zinc/58/95/10/799589510.db2.gz LIXCMLUYZHRLMJ-ZSHCYNCHSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001149058246 799636576 /nfs/dbraw/zinc/63/65/76/799636576.db2.gz IADXRYKJKNKPTP-MOEXGYKKSA-N 0 3 304.390 2.076 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001095538125 799651559 /nfs/dbraw/zinc/65/15/59/799651559.db2.gz ZZMHTQJWNADSOY-FZKCQIBNSA-N 0 3 317.433 2.044 20 30 DEEDHN CN(C)C1(C)CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001165122365 799657293 /nfs/dbraw/zinc/65/72/93/799657293.db2.gz XWSDQQYTOCVAHA-UHFFFAOYSA-N 0 3 311.345 2.155 20 30 DEEDHN N#Cc1nc(Cl)ccc1C(F)(F)n1ncc2c1CCNC2 ZINC001165219104 799676715 /nfs/dbraw/zinc/67/67/15/799676715.db2.gz QFTSDNMXGGYNEE-UHFFFAOYSA-N 0 3 309.707 2.046 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1F)C2 ZINC001095702257 799701237 /nfs/dbraw/zinc/70/12/37/799701237.db2.gz UFKUZUQGRLUYSY-DQYPLSBCSA-N 0 3 316.376 2.193 20 30 DEEDHN C=CCOc1cc(C)nc(N2C[C@H]3c4ccccc4CN[C@@H]3C2)n1 ZINC001165351557 799711646 /nfs/dbraw/zinc/71/16/46/799711646.db2.gz GGXXOXWOTRPXKN-DLBZAZTESA-N 0 3 322.412 2.425 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001165834365 799780745 /nfs/dbraw/zinc/78/07/45/799780745.db2.gz BDXGTSLTFKOKEL-STQMWFEESA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(=O)[nH]c1)C2 ZINC001110942236 799784689 /nfs/dbraw/zinc/78/46/89/799784689.db2.gz BWPDHAWFWDYPQR-OAGGEKHMSA-N 0 3 315.417 2.017 20 30 DEEDHN C=C1CCC(C(=O)NCCCN[C@@H](C)c2cnccn2)CC1 ZINC001165907040 799792734 /nfs/dbraw/zinc/79/27/34/799792734.db2.gz QLDQINNEAMFUIK-AWEZNQCLSA-N 0 3 302.422 2.380 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)CC1 ZINC001110989467 799814068 /nfs/dbraw/zinc/81/40/68/799814068.db2.gz MTUHNNUXWBKKCZ-FPCVCCKLSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cn2nc(C)cc2C)CC1 ZINC001166068849 799821977 /nfs/dbraw/zinc/82/19/77/799821977.db2.gz YJEQPCIBHBZHQU-UHFFFAOYSA-N 0 3 324.856 2.129 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933241632 800048248 /nfs/dbraw/zinc/04/82/48/800048248.db2.gz NQZVGMSMEMONAV-GWCFXTLKSA-N 0 3 302.296 2.257 20 30 DEEDHN N#Cc1ccccc1OCCN[C@H]1c2ccccc2OC[C@H]1CO ZINC000934217700 800293974 /nfs/dbraw/zinc/29/39/74/800293974.db2.gz NFMCFOUTOLEDCC-DNVCBOLYSA-N 0 3 324.380 2.269 20 30 DEEDHN CC(C)C#CC(=O)N1CCC(CNCc2nccs2)CC1 ZINC001205204081 800315679 /nfs/dbraw/zinc/31/56/79/800315679.db2.gz XFAXECXHGSIUJJ-UHFFFAOYSA-N 0 3 305.447 2.131 20 30 DEEDHN Cc1nc(C)c(CNCC2CCN(C(=O)C#CC(C)C)CC2)o1 ZINC001205217852 800318989 /nfs/dbraw/zinc/31/89/89/800318989.db2.gz MKVFNVIAZLSCJZ-UHFFFAOYSA-N 0 3 317.433 2.279 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnn(C3CCC3)c2)CC1 ZINC000934321073 800322661 /nfs/dbraw/zinc/32/26/61/800322661.db2.gz DNCSZXGNFSUYOO-UHFFFAOYSA-N 0 3 303.410 2.380 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C ZINC001206645282 800569357 /nfs/dbraw/zinc/56/93/57/800569357.db2.gz CCVNSHWPHUOWCJ-QJPTWQEYSA-N 0 3 305.344 2.315 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cc(C)ccn2)CC1 ZINC001206853640 800606410 /nfs/dbraw/zinc/60/64/10/800606410.db2.gz VUNQMEBZBFENGC-UHFFFAOYSA-N 0 3 314.477 2.182 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cccc(=O)[nH]1)CC2 ZINC001207068821 800673268 /nfs/dbraw/zinc/67/32/68/800673268.db2.gz PPHROVJBDBZWBD-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccnc(C)n1)CC2 ZINC001207164458 800701020 /nfs/dbraw/zinc/70/10/20/800701020.db2.gz CPOYYAWQLBUPAM-GOSISDBHSA-N 0 3 314.433 2.318 20 30 DEEDHN C=CCN(CCN1C[C@H](C)N(C)C[C@H]1C)C(=O)OC(C)(C)C ZINC001207201548 800707668 /nfs/dbraw/zinc/70/76/68/800707668.db2.gz AHMLRZPYZGRJAR-LSDHHAIUSA-N 0 3 311.470 2.434 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)C2(C#N)CCSCC2)C1 ZINC000935675588 800731414 /nfs/dbraw/zinc/73/14/14/800731414.db2.gz NIXJDDWTBLNYLJ-UHFFFAOYSA-N 0 3 309.479 2.262 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H](NCc2ccccn2)C1 ZINC001207619003 800789830 /nfs/dbraw/zinc/78/98/30/800789830.db2.gz SVSNAUYUFXYRRR-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001207888638 800857614 /nfs/dbraw/zinc/85/76/14/800857614.db2.gz WCJVPNVVLRPSIU-SJLPKXTDSA-N 0 3 316.445 2.177 20 30 DEEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnon1)C2 ZINC001111170247 800858480 /nfs/dbraw/zinc/85/84/80/800858480.db2.gz HMOFWNVZTZSXTC-NFAWXSAZSA-N 0 3 306.410 2.375 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001207935237 800868393 /nfs/dbraw/zinc/86/83/93/800868393.db2.gz OXRGLCAJLPHVAL-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001208051921 800901913 /nfs/dbraw/zinc/90/19/13/800901913.db2.gz YVPRDUDNVSFLTR-HSFUPAIVSA-N 0 3 320.477 2.452 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001208213596 800932305 /nfs/dbraw/zinc/93/23/05/800932305.db2.gz SHZDDUFCOCPKGX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001208240761 800936843 /nfs/dbraw/zinc/93/68/43/800936843.db2.gz QJTJTAHRNNNMFI-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCC(=O)N(CC)CC)C1 ZINC001208240807 800936867 /nfs/dbraw/zinc/93/68/67/800936867.db2.gz RGUNLPFCKKFQSS-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001208239428 800937102 /nfs/dbraw/zinc/93/71/02/800937102.db2.gz AMTIOZAOQBSLDU-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N[C@@H](C)CC)C1 ZINC001208919134 801093630 /nfs/dbraw/zinc/09/36/30/801093630.db2.gz PFHLISZXMUBLQH-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1cnc(O[C@@H]2CCN(CCc3ccc(C#N)cc3)C2)nc1 ZINC001208928357 801094924 /nfs/dbraw/zinc/09/49/24/801094924.db2.gz FYQRHQHWJKDOPJ-MRXNPFEDSA-N 0 3 324.384 2.053 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001209145573 801135593 /nfs/dbraw/zinc/13/55/93/801135593.db2.gz FEMDOKLUYZAJBY-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001209162347 801139671 /nfs/dbraw/zinc/13/96/71/801139671.db2.gz XLXQPFRYWRHRPU-SJORKVTESA-N 0 3 305.422 2.143 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCc2c(C)nnn2CC)C1 ZINC001209336304 801172470 /nfs/dbraw/zinc/17/24/70/801172470.db2.gz VJYIPKHFFZCKTD-HNNXBMFYSA-N 0 3 319.453 2.043 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCC(C)C)C1 ZINC001209345929 801173428 /nfs/dbraw/zinc/17/34/28/801173428.db2.gz PCNSMRSBXYIXEC-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC001229022776 801210484 /nfs/dbraw/zinc/21/04/84/801210484.db2.gz JXOCRCBVRUYNEZ-QGZVFWFLSA-N 0 3 315.461 2.489 20 30 DEEDHN N#Cc1ccccc1O[C@H]1CCCN(Cc2cnccc2N)C1 ZINC001209736592 801270377 /nfs/dbraw/zinc/27/03/77/801270377.db2.gz GEBZNPZZKJBFRH-INIZCTEOSA-N 0 3 308.385 2.409 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001209768638 801278812 /nfs/dbraw/zinc/27/88/12/801278812.db2.gz BEWAMFDIYUXTAI-DJIMGWMZSA-N 0 3 301.434 2.444 20 30 DEEDHN O=C([C@@H]1CC12CC2)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209808333 801288445 /nfs/dbraw/zinc/28/84/45/801288445.db2.gz KPDXJDCHYCXAKQ-ROUUACIJSA-N 0 3 308.425 2.419 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCC(=O)N[C@@H](C)CC)C1 ZINC001209866187 801298021 /nfs/dbraw/zinc/29/80/21/801298021.db2.gz PRNLIYGSZNAKQJ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001229826120 801325125 /nfs/dbraw/zinc/32/51/25/801325125.db2.gz YDCHSIBWSCEOJY-FUHWJXTLSA-N 0 3 308.466 2.452 20 30 DEEDHN COCCN1CCC(Oc2nc(C)cc(Cl)c2C#N)CC1 ZINC001230182300 801368800 /nfs/dbraw/zinc/36/88/00/801368800.db2.gz BFSVNHDWHCTKQV-UHFFFAOYSA-N 0 3 309.797 2.405 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(OCC)cc2)C1 ZINC001210801950 801466405 /nfs/dbraw/zinc/46/64/05/801466405.db2.gz UZVSTMRGVHPEOK-RHSMWYFYSA-N 0 3 318.417 2.087 20 30 DEEDHN C=C(C)CN(CCCNC(=O)C[C@@H](C)OC)Cc1cccnc1 ZINC001230704434 801469089 /nfs/dbraw/zinc/46/90/89/801469089.db2.gz VBPGZDBVAYYDOX-MRXNPFEDSA-N 0 3 319.449 2.391 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001210853279 801474927 /nfs/dbraw/zinc/47/49/27/801474927.db2.gz MJVAOPKNMVQKJK-JFIYKMOQSA-N 0 3 314.429 2.222 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2c(C)cccc2C)C1 ZINC001210858156 801476273 /nfs/dbraw/zinc/47/62/73/801476273.db2.gz FSGOGWSSBKOHSW-HZPDHXFCSA-N 0 3 302.418 2.305 20 30 DEEDHN C#CCCCC(=O)NCCCN(CCC#C)Cc1cccnc1 ZINC001230745198 801480622 /nfs/dbraw/zinc/48/06/22/801480622.db2.gz DOGRBNLENDKDOI-UHFFFAOYSA-N 0 3 311.429 2.217 20 30 DEEDHN C=C(C)CN(CCCNC(=O)c1ncc[nH]1)Cc1cccnc1 ZINC001230751667 801482190 /nfs/dbraw/zinc/48/21/90/801482190.db2.gz RAKWOSFQKWLEPA-UHFFFAOYSA-N 0 3 313.405 2.003 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H]1CC1(F)F)Cc1cccnc1 ZINC001230751815 801482607 /nfs/dbraw/zinc/48/26/07/801482607.db2.gz WZUPGLAEXCNXFJ-HNNXBMFYSA-N 0 3 321.371 2.068 20 30 DEEDHN C#CCCN(CCCNC(=O)c1c[nH]cc1C)Cc1cccnc1 ZINC001230918143 801529761 /nfs/dbraw/zinc/52/97/61/801529761.db2.gz JVZRFONLPJOANX-UHFFFAOYSA-N 0 3 324.428 2.364 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)CC(F)(F)F)[C@H](OC)C1 ZINC001213204329 801582811 /nfs/dbraw/zinc/58/28/11/801582811.db2.gz DGKBSNWIWXLTCP-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN CN(CCCNC(=O)CC1CC1)Cc1ccc(F)c(C#N)c1 ZINC001231139547 801590233 /nfs/dbraw/zinc/59/02/33/801590233.db2.gz SWUVIAZAKFOXKU-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H](OC)C1 ZINC001213759654 801640025 /nfs/dbraw/zinc/64/00/25/801640025.db2.gz VLYMOWFSABINLS-VXGBXAGGSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213895120 801651462 /nfs/dbraw/zinc/65/14/62/801651462.db2.gz JCKJNFHPYUJIFI-CGTJXYLNSA-N 0 3 316.445 2.257 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(CC)CC)C1 ZINC001214305607 801701672 /nfs/dbraw/zinc/70/16/72/801701672.db2.gz IASRWWPBVAJRCA-IJEWVQPXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001214331767 801704326 /nfs/dbraw/zinc/70/43/26/801704326.db2.gz RCMKGSGBWVCRLM-CZUORRHYSA-N 0 3 322.836 2.479 20 30 DEEDHN C#Cc1cccc(CN2CCC(NC(=O)N3CCCC3)CC2)c1 ZINC001231664824 801706079 /nfs/dbraw/zinc/70/60/79/801706079.db2.gz XVOUBUGDGLBJNS-UHFFFAOYSA-N 0 3 311.429 2.438 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001214745270 801756602 /nfs/dbraw/zinc/75/66/02/801756602.db2.gz ITOUMDQEZNIYLU-OWCLPIDISA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215347319 801842422 /nfs/dbraw/zinc/84/24/22/801842422.db2.gz UTAPXFMXGVANRR-KBAYOESNSA-N 0 3 316.420 2.469 20 30 DEEDHN Cc1nocc1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215444014 801862727 /nfs/dbraw/zinc/86/27/27/801862727.db2.gz HFKTVZQFDGVCNI-RDTXWAMCSA-N 0 3 323.396 2.085 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H](C)[C@H](NCc3cnn(C)c3)C2)CCC1 ZINC001215478273 801866649 /nfs/dbraw/zinc/86/66/49/801866649.db2.gz NFCXRTYYDFGKFY-GDBMZVCRSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001215701597 801895368 /nfs/dbraw/zinc/89/53/68/801895368.db2.gz ZNXANLZVLMKZSL-MBNYWOFBSA-N 0 3 319.453 2.213 20 30 DEEDHN N#Cc1cccc(F)c1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216388269 801969834 /nfs/dbraw/zinc/96/98/34/801969834.db2.gz IOYAQTZHBNLDSR-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN N#Cc1cc[nH]c1CN1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001233045225 802013547 /nfs/dbraw/zinc/01/35/47/802013547.db2.gz TVTXBSULJCHKRX-MSOLQXFVSA-N 0 3 321.428 2.235 20 30 DEEDHN C#Cc1ccccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216865390 802034907 /nfs/dbraw/zinc/03/49/07/802034907.db2.gz SLCPCSKOFWYPMM-UHFFFAOYSA-N 0 3 302.337 2.426 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccccc3F)[C@H]2C1 ZINC001217196392 802052955 /nfs/dbraw/zinc/05/29/55/802052955.db2.gz NUVOEIBEVXJDLB-DLBZAZTESA-N 0 3 318.392 2.317 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H]3CC=CCC3)[C@H]2C1 ZINC001217266283 802062682 /nfs/dbraw/zinc/06/26/82/802062682.db2.gz YUTAJKNHQHZGJX-YESZJQIVSA-N 0 3 304.434 2.221 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H](C)CC(F)(F)F)[C@H]2C1 ZINC001218355412 802170436 /nfs/dbraw/zinc/17/04/36/802170436.db2.gz NFEAWFCAYIOOSI-FRRDWIJNSA-N 0 3 320.355 2.063 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001233707529 802187968 /nfs/dbraw/zinc/18/79/68/802187968.db2.gz URGSVEHIFDUTQN-LSDHHAIUSA-N 0 3 302.422 2.286 20 30 DEEDHN N#Cc1c2c(sc1NC(=O)[C@H]1CNc3ccccc31)CNCC2 ZINC001218555210 802205869 /nfs/dbraw/zinc/20/58/69/802205869.db2.gz XYTVYEMEPMBDHK-ZDUSSCGKSA-N 0 3 324.409 2.413 20 30 DEEDHN C[C@H]1CCN[C@@H](C(=O)Nc2c(C#N)cnnc2-c2ccccc2)C1 ZINC001218717050 802231730 /nfs/dbraw/zinc/23/17/30/802231730.db2.gz NRFDCTLQACLLOJ-SWLSCSKDSA-N 0 3 321.384 2.342 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001233935888 802245739 /nfs/dbraw/zinc/24/57/39/802245739.db2.gz DPWASZPKDPWKTL-MJGOQNOKSA-N 0 3 316.445 2.355 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001233939201 802246804 /nfs/dbraw/zinc/24/68/04/802246804.db2.gz ZCSHYFDTVAIYFB-YOEHRIQHSA-N 0 3 322.474 2.150 20 30 DEEDHN C[C@H](C#N)c1ccc(NC(=O)[C@@H](N)C2CCC(O)CC2)cc1 ZINC001218871225 802252174 /nfs/dbraw/zinc/25/21/74/802252174.db2.gz JEILSSJXUMLYET-SNBTVBLJSA-N 0 3 301.390 2.131 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC34CCCC4)[C@H]2C1 ZINC001218904956 802257366 /nfs/dbraw/zinc/25/73/66/802257366.db2.gz NIWUBEZIEHLGIY-YESZJQIVSA-N 0 3 318.461 2.445 20 30 DEEDHN N#Cc1cc(NC(=O)[C@@H](N)CC(F)F)ccc1N1CCCCC1 ZINC001218945299 802263038 /nfs/dbraw/zinc/26/30/38/802263038.db2.gz WJFXHASFMWUNON-ZDUSSCGKSA-N 0 3 322.359 2.470 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](O)C1 ZINC001219461249 802335948 /nfs/dbraw/zinc/33/59/48/802335948.db2.gz CLTBJHSFZCRBJW-KGLIPLIRSA-N 0 3 300.418 2.382 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCCCCCC)C[C@@H]1O ZINC001220180824 802421364 /nfs/dbraw/zinc/42/13/64/802421364.db2.gz RJJWSRNZVWKBHZ-SJORKVTESA-N 0 3 308.466 2.312 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)NCC1(C(=O)OCC)CCC1 ZINC001220371339 802450138 /nfs/dbraw/zinc/45/01/38/802450138.db2.gz SMOXKWYLQIAZTK-AWEZNQCLSA-N 0 3 310.438 2.300 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)[C@@H](O)C1 ZINC001220403902 802455573 /nfs/dbraw/zinc/45/55/73/802455573.db2.gz JUYJWCUJXAQYRZ-ZACQAIPSSA-N 0 3 308.466 2.496 20 30 DEEDHN N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCS ZINC001220585302 802476217 /nfs/dbraw/zinc/47/62/17/802476217.db2.gz GLIYIBRXOUVQNN-LLVKDONJSA-N 0 3 306.353 2.011 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](O)C1 ZINC001220812886 802501244 /nfs/dbraw/zinc/50/12/44/802501244.db2.gz SCRBDIPJQSXPOS-VQHPVUNQSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CN(CCCC)C[C@@H]1O)c1ccccc1 ZINC001221029662 802522613 /nfs/dbraw/zinc/52/26/13/802522613.db2.gz ZJKWGUBLUVONNF-KSZLIROESA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@@H](C)C2CC2)[C@@H](O)C1 ZINC001221108391 802529837 /nfs/dbraw/zinc/52/98/37/802529837.db2.gz VTVJZOJOEZVVKE-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2ccc(C)s2)[C@@H](O)C1 ZINC001221197266 802535672 /nfs/dbraw/zinc/53/56/72/802535672.db2.gz VBZJYGAXPSGZCP-CVEARBPZSA-N 0 3 322.474 2.117 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)[C@@H]2C1 ZINC001221250859 802543024 /nfs/dbraw/zinc/54/30/24/802543024.db2.gz DAXYBGHYNVOCFE-BRWVUGGUSA-N 0 3 304.434 2.078 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001221468072 802578460 /nfs/dbraw/zinc/57/84/60/802578460.db2.gz FXTCEIQBBROBQG-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001221535095 802591163 /nfs/dbraw/zinc/59/11/63/802591163.db2.gz MFXLFNSZMIKNTG-HUUCEWRRSA-N 0 3 310.388 2.224 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC(F)(F)F)[C@@H]2C1 ZINC001221788077 802615778 /nfs/dbraw/zinc/61/57/78/802615778.db2.gz GPIVECPVHZDMTE-YNEHKIRRSA-N 0 3 302.340 2.131 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001222518074 802699351 /nfs/dbraw/zinc/69/93/51/802699351.db2.gz FXPWARDUOYNIGR-CABCVRRESA-N 0 3 310.413 2.375 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3coc(C)c3)C[C@@H]21 ZINC001222578509 802711170 /nfs/dbraw/zinc/71/11/70/802711170.db2.gz WFZMGKFDVFLQQS-WBVHZDCISA-N 0 3 318.417 2.327 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCO[C@@H](C)CC(C)C)C[C@@H]21 ZINC001222676206 802726903 /nfs/dbraw/zinc/72/69/03/802726903.db2.gz WEDCQNAJOHEJPL-KSZLIROESA-N 0 3 320.477 2.384 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccc(CC)cn2)CC1 ZINC001224619209 802886744 /nfs/dbraw/zinc/88/67/44/802886744.db2.gz RBHSIHCNSZXUGM-UHFFFAOYSA-N 0 3 313.445 2.038 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC001224713040 802896787 /nfs/dbraw/zinc/89/67/87/802896787.db2.gz NUZAECIACGBUAU-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001224711613 802897292 /nfs/dbraw/zinc/89/72/92/802897292.db2.gz CJHAGUIDQOBAEU-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(F)c(C#N)c3)C[C@H]1N2C ZINC001225825158 803017454 /nfs/dbraw/zinc/01/74/54/803017454.db2.gz SJISRAYHQCGTHS-SDNTUTLCSA-N 0 3 318.348 2.243 20 30 DEEDHN CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C#CC1CC1 ZINC001226111348 803055495 /nfs/dbraw/zinc/05/54/95/803055495.db2.gz GNJVWJMCSKGIKT-IAGOWNOFSA-N 0 3 315.417 2.167 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccon1 ZINC001227516662 803246690 /nfs/dbraw/zinc/24/66/90/803246690.db2.gz IRKOVDLOCAZYQD-ZIAGYGMSSA-N 0 3 311.813 2.377 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cncnc1 ZINC001227535297 803249349 /nfs/dbraw/zinc/24/93/49/803249349.db2.gz PUMBONSRJGFAQA-HUUCEWRRSA-N 0 3 322.840 2.179 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)(C)C ZINC001227941481 803297665 /nfs/dbraw/zinc/29/76/65/803297665.db2.gz WFTIRYSQFUPZOW-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC[C@@H]2CCCO2)C(C)(C)C1 ZINC001328061552 1148710089 /nfs/dbraw/zinc/71/00/89/1148710089.db2.gz OUGCZSXZTBJHBC-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001419647060 1168747354 /nfs/dbraw/zinc/74/73/54/1168747354.db2.gz HHZTYFWDXCLIID-NEPJUHHUSA-N 0 3 323.437 2.385 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 ZINC001328116279 1148724328 /nfs/dbraw/zinc/72/43/28/1148724328.db2.gz KURCXXQJDQLHBO-INIZCTEOSA-N 0 3 321.509 2.463 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1sc(CCC)nc1C ZINC001331633443 1149568039 /nfs/dbraw/zinc/56/80/39/1149568039.db2.gz WGFZSLVRQDXGQH-GFCCVEGCSA-N 0 3 307.463 2.477 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC001343511033 1150748755 /nfs/dbraw/zinc/74/87/55/1150748755.db2.gz WRJRJMSFBOFGCE-TWINXVHLSA-N 0 3 316.357 2.014 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001574962177 1069311196 /nfs/dbraw/zinc/31/11/96/1069311196.db2.gz GWSPDLADNVGVSC-OWCLPIDISA-N 0 3 318.417 2.215 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CCCCC(=O)OC(C)(C)C ZINC001343842380 1150777691 /nfs/dbraw/zinc/77/76/91/1150777691.db2.gz MAACBOURGXAFMX-GFCCVEGCSA-N 0 3 305.378 2.498 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CO)NCc2ccccc2C)CCC1 ZINC001331788585 1149680306 /nfs/dbraw/zinc/68/03/06/1149680306.db2.gz WPOIREVCIJPXFD-KRWDZBQOSA-N 0 3 316.445 2.308 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)N[C@H](C)c2cccc(C)c2)C1 ZINC001331788150 1149682455 /nfs/dbraw/zinc/68/24/55/1149682455.db2.gz QLOYSYFDLWBHJF-NVXWUHKLSA-N 0 3 316.445 2.479 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCCCOc1cccc(F)c1 ZINC001345636525 1150900504 /nfs/dbraw/zinc/90/05/04/1150900504.db2.gz GHOJVOYAFCSWPB-OAHLLOKOSA-N 0 3 307.369 2.122 20 30 DEEDHN CO[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC001346227874 1150954559 /nfs/dbraw/zinc/95/45/59/1150954559.db2.gz DUUOCAVFYYCJOX-QLFBSQMISA-N 0 3 300.358 2.458 20 30 DEEDHN C=C(C)Cn1c(N2CCN([C@@H](C)CC)CC2)nnc1C(C)(C)O ZINC001346270120 1150963182 /nfs/dbraw/zinc/96/31/82/1150963182.db2.gz QDXAFRKPRGMTEJ-AWEZNQCLSA-N 0 3 321.469 2.002 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1c[nH]nn1)CC(C)C ZINC001575072633 1069355039 /nfs/dbraw/zinc/35/50/39/1069355039.db2.gz KUGYIKYTOKZGCK-CZUORRHYSA-N 0 3 307.442 2.028 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C=C(CC)CC)CCO2 ZINC001328481205 1148801623 /nfs/dbraw/zinc/80/16/23/1148801623.db2.gz XAFKXXSQOPHLFD-UHFFFAOYSA-N 0 3 318.461 2.450 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)c2cc[nH]c2)CC1 ZINC001328502298 1148803281 /nfs/dbraw/zinc/80/32/81/1148803281.db2.gz YWJJZJIAWKBTAD-UHFFFAOYSA-N 0 3 318.465 2.109 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)C[C@@H](C)C#N ZINC001524380830 1069931151 /nfs/dbraw/zinc/93/11/51/1069931151.db2.gz XNBGBIHIILMRKF-GJZGRUSLSA-N 0 3 316.453 2.259 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001368506831 1148470791 /nfs/dbraw/zinc/47/07/91/1148470791.db2.gz QECMWJYKHWVGLE-OKILXGFUSA-N 0 3 314.857 2.430 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)CCOCC)cc1 ZINC001328752117 1148831494 /nfs/dbraw/zinc/83/14/94/1148831494.db2.gz DOKRYKAFEDWERD-SFHVURJKSA-N 0 3 314.429 2.241 20 30 DEEDHN C=CC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001351228486 1151498117 /nfs/dbraw/zinc/49/81/17/1151498117.db2.gz MOGAODXEUBOPGQ-CABCVRRESA-N 0 3 303.454 2.417 20 30 DEEDHN N#CC1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001606344051 1071129532 /nfs/dbraw/zinc/12/95/32/1071129532.db2.gz DRAUEFCWKYSTIX-UHFFFAOYSA-N 0 3 300.341 2.178 20 30 DEEDHN N#CC1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001606344051 1071129535 /nfs/dbraw/zinc/12/95/35/1071129535.db2.gz DRAUEFCWKYSTIX-UHFFFAOYSA-N 0 3 300.341 2.178 20 30 DEEDHN C=CCCC(=O)NCC1(NC(=O)C(C)(C)N(C)CC)CCCC1 ZINC001532382494 1071652206 /nfs/dbraw/zinc/65/22/06/1071652206.db2.gz IDEODCVZGSEPDK-UHFFFAOYSA-N 0 3 323.481 2.228 20 30 DEEDHN CS[C@@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001499874192 1058340213 /nfs/dbraw/zinc/34/02/13/1058340213.db2.gz IFMSSPYVVKSZTK-DOTOQJQBSA-N 0 3 316.470 2.370 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001328998892 1148856248 /nfs/dbraw/zinc/85/62/48/1148856248.db2.gz VPRWJZQNLINSOE-RYUDHWBXSA-N 0 3 307.442 2.051 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)CC3CCCC3)C2)CC1 ZINC001500012088 1058429876 /nfs/dbraw/zinc/42/98/76/1058429876.db2.gz RZHCYLDUPIZFRJ-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCCCO1)C1CCN(CC=C)CC1 ZINC001500032708 1058442909 /nfs/dbraw/zinc/44/29/09/1058442909.db2.gz JFTJSCUIOWDCGI-KRWDZBQOSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCN(C(=O)[C@H](F)CC)C1CCN(CCOC(C)C)CC1 ZINC001500042850 1058448158 /nfs/dbraw/zinc/44/81/58/1058448158.db2.gz AVRJIHADZDUJAG-MRXNPFEDSA-N 0 3 312.429 2.086 20 30 DEEDHN C#CCNC[C@@H](NC(=O)c1ncc[nH]1)c1ccc2ccccc2c1 ZINC001500060440 1058459698 /nfs/dbraw/zinc/45/96/98/1058459698.db2.gz PZLGVBJNWYYHRU-QGZVFWFLSA-N 0 3 318.380 2.257 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H](NC(C)=O)C1CCCC1 ZINC001500063105 1058463617 /nfs/dbraw/zinc/46/36/17/1058463617.db2.gz IGCJCHOKOQNGMA-WMLDXEAASA-N 0 3 323.481 2.084 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](NC(C)=O)C1CCCC1 ZINC001500065752 1058464755 /nfs/dbraw/zinc/46/47/55/1058464755.db2.gz WYGZXEBGBMGIIA-QGZVFWFLSA-N 0 3 315.417 2.351 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COc2ccc(CC)cc2)C1 ZINC001500287524 1058667602 /nfs/dbraw/zinc/66/76/02/1058667602.db2.gz VRWOUTIRGZAARO-LJQANCHMSA-N 0 3 314.429 2.232 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001500454140 1058795885 /nfs/dbraw/zinc/79/58/85/1058795885.db2.gz 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C#CCCN(C)Cc1ccccc1CNC(=O)c1ocnc1C ZINC001501661491 1059615577 /nfs/dbraw/zinc/61/55/77/1059615577.db2.gz YIKBWFXMTXTZRU-UHFFFAOYSA-N 0 3 311.385 2.368 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccnnc2)cc1 ZINC001501681347 1059632534 /nfs/dbraw/zinc/63/25/34/1059632534.db2.gz HELZHBFHEFDMSE-CQSZACIVSA-N 0 3 308.385 2.081 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2cccc(Cl)c2F)CCC1 ZINC001502003110 1059856185 /nfs/dbraw/zinc/85/61/85/1059856185.db2.gz KCNJUBDCNDUXFN-UHFFFAOYSA-N 0 3 308.784 2.283 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC[C@@H](F)CC)C1 ZINC001502079776 1059914006 /nfs/dbraw/zinc/91/40/06/1059914006.db2.gz XJGXIFSJIQVKMN-KBPBESRZSA-N 0 3 300.418 2.154 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CCc2nc(C)cs2)CC1 ZINC001502127304 1059971452 /nfs/dbraw/zinc/97/14/52/1059971452.db2.gz MPLPOPDKGWBVPG-HNNXBMFYSA-N 0 3 319.474 2.378 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001502132667 1059981533 /nfs/dbraw/zinc/98/15/33/1059981533.db2.gz WWKSJFOGBNRRCT-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C(C)(C)CCCCC)C1 ZINC001502600253 1060192318 /nfs/dbraw/zinc/19/23/18/1060192318.db2.gz RIPCOLKYILWDJD-GOSISDBHSA-N 0 3 308.466 2.169 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCC(C)C)CCOCC1 ZINC001502612075 1060197440 /nfs/dbraw/zinc/19/74/40/1060197440.db2.gz PLGWYZDGEVWMSR-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@@H]1NCC#Cc1ccc(F)cc1 ZINC001502734877 1060259266 /nfs/dbraw/zinc/25/92/66/1060259266.db2.gz MELYLXBRZORJOZ-PBHICJAKSA-N 0 3 320.383 2.363 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001502819849 1060323660 /nfs/dbraw/zinc/32/36/60/1060323660.db2.gz CDFLFJDTMOUNHJ-RHSMWYFYSA-N 0 3 324.428 2.435 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001327257381 1148504624 /nfs/dbraw/zinc/50/46/24/1148504624.db2.gz DTXQCJAYGFDTIC-MRXNPFEDSA-N 0 3 308.466 2.243 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001505394935 1060524866 /nfs/dbraw/zinc/52/48/66/1060524866.db2.gz TWNVHTUDDZUYIT-UHFFFAOYSA-N 0 3 310.829 2.336 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001505394935 1060524887 /nfs/dbraw/zinc/52/48/87/1060524887.db2.gz TWNVHTUDDZUYIT-UHFFFAOYSA-N 0 3 310.829 2.336 20 30 DEEDHN C=CCOCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC1 ZINC001505412547 1060551430 /nfs/dbraw/zinc/55/14/30/1060551430.db2.gz DELIHURZEVVOPP-IEBWSBKVSA-N 0 3 314.429 2.361 20 30 DEEDHN CC(C)=CCN(C)C[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001505428237 1060573280 /nfs/dbraw/zinc/57/32/80/1060573280.db2.gz YDELJWJXEJLCCF-MRXNPFEDSA-N 0 3 300.406 2.389 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC001505437468 1060598936 /nfs/dbraw/zinc/59/89/36/1060598936.db2.gz SCDVGLMOBAQBKN-CYBMUJFWSA-N 0 3 302.422 2.011 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001505445559 1060608415 /nfs/dbraw/zinc/60/84/15/1060608415.db2.gz XUFSUZQPJOCREK-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCO2 ZINC001505446672 1060611781 /nfs/dbraw/zinc/61/17/81/1060611781.db2.gz QIEPZPRAANQRCN-INIZCTEOSA-N 0 3 300.402 2.344 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnn(C)c1C(F)F ZINC001505455886 1060624615 /nfs/dbraw/zinc/62/46/15/1060624615.db2.gz KMZSKKIHGBCBKT-LLVKDONJSA-N 0 3 312.364 2.080 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(CCC)on2)C1 ZINC001505528818 1060680153 /nfs/dbraw/zinc/68/01/53/1060680153.db2.gz RUCSOSCVNSAQIG-UHFFFAOYSA-N 0 3 311.813 2.478 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001505944114 1061160564 /nfs/dbraw/zinc/16/05/64/1061160564.db2.gz RTWSMYJTLJZWOA-CVEARBPZSA-N 0 3 301.434 2.135 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001479254531 1061335796 /nfs/dbraw/zinc/33/57/96/1061335796.db2.gz OSCSIAUJAGEQFV-HNNXBMFYSA-N 0 3 319.453 2.280 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001479291272 1061370112 /nfs/dbraw/zinc/37/01/12/1061370112.db2.gz RVYGLJBJDOXJFH-OAGGEKHMSA-N 0 3 314.433 2.216 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1c1ccccc1 ZINC001479426713 1061452791 /nfs/dbraw/zinc/45/27/91/1061452791.db2.gz XEWNMVQNIYIXHE-BHYGNILZSA-N 0 3 316.445 2.164 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1(C)CCCCCC1 ZINC001479678743 1061591170 /nfs/dbraw/zinc/59/11/70/1061591170.db2.gz SMBVWRPTYIWYER-UHFFFAOYSA-N 0 3 308.466 2.387 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC001479696463 1061609538 /nfs/dbraw/zinc/60/95/38/1061609538.db2.gz DLZYCBUTPCHTGB-CJNGLKHVSA-N 0 3 306.406 2.292 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001479707155 1061625400 /nfs/dbraw/zinc/62/54/00/1061625400.db2.gz RFXBPLQGPPVCNH-CABCVRRESA-N 0 3 304.438 2.064 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCOC2CCOCC2)[C@H]1C ZINC001479725799 1061648505 /nfs/dbraw/zinc/64/85/05/1061648505.db2.gz XIKKQZMAIJSRBO-WBVHZDCISA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](OCC)C(C)C)CC(C)(C)C1 ZINC001479744928 1061672781 /nfs/dbraw/zinc/67/27/81/1061672781.db2.gz GXUREWWOJAPYFO-HOTGVXAUSA-N 0 3 308.466 2.288 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001479878540 1061979897 /nfs/dbraw/zinc/97/98/97/1061979897.db2.gz BQPJDQHRVSVRGB-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001479916559 1062050875 /nfs/dbraw/zinc/05/08/75/1062050875.db2.gz OFORMAGFTCNYDF-ZWKOTPCHSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001479967827 1062125516 /nfs/dbraw/zinc/12/55/16/1062125516.db2.gz MXIWEWVTLFHFQJ-OAHLLOKOSA-N 0 3 317.433 2.234 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)Cc1ncccc1OC ZINC001506574167 1062150173 /nfs/dbraw/zinc/15/01/73/1062150173.db2.gz UNXSKPLJWDAJJW-OAHLLOKOSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001506630366 1062210219 /nfs/dbraw/zinc/21/02/19/1062210219.db2.gz MODNEVGIXDWAKI-ZBFHGGJFSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCOc2ccccc2F)C1 ZINC001506672637 1062263921 /nfs/dbraw/zinc/26/39/21/1062263921.db2.gz MBONUXTXLKZTRF-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN C=C[C@H](C(=O)N[C@H]1CN(CCOC)CC1(C)C)c1ccccc1 ZINC001506752730 1062366003 /nfs/dbraw/zinc/36/60/03/1062366003.db2.gz KDDBLHRWVUKKCJ-IRXDYDNUSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001480141162 1062378125 /nfs/dbraw/zinc/37/81/25/1062378125.db2.gz AFRVPHSVUSCHEP-JOCQHMNTSA-N 0 3 319.453 2.267 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001480152917 1062396360 /nfs/dbraw/zinc/39/63/60/1062396360.db2.gz XFGHIQIJNPEKKY-RBSFLKMASA-N 0 3 319.380 2.052 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001480219396 1062480607 /nfs/dbraw/zinc/48/06/07/1062480607.db2.gz CWZXUZMUUQRSLF-SYQHCUMBSA-N 0 3 319.453 2.267 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001480224960 1062486478 /nfs/dbraw/zinc/48/64/78/1062486478.db2.gz NORUNTQZHKEMSC-WCFLWFBJSA-N 0 3 305.426 2.013 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cccnc1)NCc1ccc(C#N)s1 ZINC001507041246 1062716150 /nfs/dbraw/zinc/71/61/50/1062716150.db2.gz OBJVDGHJXLYKSM-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001480428170 1062852206 /nfs/dbraw/zinc/85/22/06/1062852206.db2.gz UAEYTENGFDKMJF-GHMZBOCLSA-N 0 3 309.410 2.043 20 30 DEEDHN CC[C@@H](SC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480445209 1062871966 /nfs/dbraw/zinc/87/19/66/1062871966.db2.gz ALGWHNIFPMLAOS-GXFFZTMASA-N 0 3 311.476 2.356 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc(N2CCCC2)c1 ZINC001507138103 1062900198 /nfs/dbraw/zinc/90/01/98/1062900198.db2.gz ZPVVNPALBMTHAJ-INIZCTEOSA-N 0 3 313.445 2.360 20 30 DEEDHN CC[C@@H](N[C@@H](CO)CNC(=O)C#CC(C)C)c1ccc(F)cc1 ZINC001507189176 1062963590 /nfs/dbraw/zinc/96/35/90/1062963590.db2.gz KRSANAJOOPJEEQ-IAGOWNOFSA-N 0 3 320.408 2.003 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CO)N[C@H](C)c1ccccc1 ZINC001507208775 1062971122 /nfs/dbraw/zinc/97/11/22/1062971122.db2.gz VMWCEZLOEIGGGF-GDBMZVCRSA-N 0 3 304.434 2.417 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@H](C)c1ccccc1C ZINC001507207079 1062973128 /nfs/dbraw/zinc/97/31/28/1062973128.db2.gz MAGSKPIDIUZOOJ-CVEARBPZSA-N 0 3 304.434 2.479 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CC1CCCCCC1 ZINC001480542772 1063005870 /nfs/dbraw/zinc/00/58/70/1063005870.db2.gz GERFZCVVTVGWRA-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN CCOCCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001507306711 1063068525 /nfs/dbraw/zinc/06/85/25/1063068525.db2.gz JRUKRHFTALXNQV-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCOc2ccccc2CC)C1 ZINC001507331523 1063106778 /nfs/dbraw/zinc/10/67/78/1063106778.db2.gz LOWWPYJRMPRYJK-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CCc3ccco3)CCC[C@H]12 ZINC001507334320 1063109571 /nfs/dbraw/zinc/10/95/71/1063109571.db2.gz HUIZXFVDXOEDRN-FUHWJXTLSA-N 0 3 300.402 2.349 20 30 DEEDHN Cc1ncccc1CN1CC[C@@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001507341606 1063125274 /nfs/dbraw/zinc/12/52/74/1063125274.db2.gz AZISZTNHNGFEFG-QUCCMNQESA-N 0 3 323.440 2.417 20 30 DEEDHN CC(C)COCCN1CC[C@@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001507347623 1063136014 /nfs/dbraw/zinc/13/60/14/1063136014.db2.gz ZGNYLLBSBBBCGS-MJGOQNOKSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001480725052 1063249406 /nfs/dbraw/zinc/24/94/06/1063249406.db2.gz OASDBVPKPSVOGP-GOEBONIOSA-N 0 3 320.458 2.209 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NCC(=O)N(CC)CC)C(C)(C)C1 ZINC001507444508 1063292346 /nfs/dbraw/zinc/29/23/46/1063292346.db2.gz VTVCTIWVSMKSQO-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2c(cn1)OCCC2 ZINC001480806397 1063367881 /nfs/dbraw/zinc/36/78/81/1063367881.db2.gz CPMZVJLIIQKAOF-LBPRGKRZSA-N 0 3 323.824 2.257 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1n[nH]c2ccccc12 ZINC001480814279 1063376613 /nfs/dbraw/zinc/37/66/13/1063376613.db2.gz VYYURAYGQMKQHB-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001507674086 1063378409 /nfs/dbraw/zinc/37/84/09/1063378409.db2.gz HPYUXDFGUIDUJU-SFHVURJKSA-N 0 3 316.445 2.044 20 30 DEEDHN C#CCCN(CCNC(=O)c1c(C)cccc1Cl)CCOC ZINC001508052911 1063518891 /nfs/dbraw/zinc/51/88/91/1063518891.db2.gz LCGJADSQAPEUAY-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)CC2CCCCC2)C1 ZINC001493177002 1063621975 /nfs/dbraw/zinc/62/19/75/1063621975.db2.gz XJLHHKRVESUMDT-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001493263236 1063676737 /nfs/dbraw/zinc/67/67/37/1063676737.db2.gz KUJYWKXGWKLXFE-TVRKMHQQSA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001493305884 1063705904 /nfs/dbraw/zinc/70/59/04/1063705904.db2.gz ASVQLTAOAXXBEA-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)C(=O)CN1CCC[C@@H]1C ZINC001509004236 1063925399 /nfs/dbraw/zinc/92/53/99/1063925399.db2.gz XFZAPDDGEWMZQW-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)COc1ccccc1 ZINC001493772485 1063957635 /nfs/dbraw/zinc/95/76/35/1063957635.db2.gz ZLBJGBKBXMVBIU-UHFFFAOYSA-N 0 3 323.396 2.185 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC001493815009 1063973865 /nfs/dbraw/zinc/97/38/65/1063973865.db2.gz KKEPXDPTFDSEHX-UHFFFAOYSA-N 0 3 324.371 2.110 20 30 DEEDHN CO[C@@H](C)CN[C@H](CNC(=O)C#CC(C)C)c1ccccc1 ZINC001493888331 1064011176 /nfs/dbraw/zinc/01/11/76/1064011176.db2.gz BQMCKFRMHBSSJM-DOTOQJQBSA-N 0 3 302.418 2.128 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001494117933 1064128594 /nfs/dbraw/zinc/12/85/94/1064128594.db2.gz AXVJHOYOBMLYBO-OAHLLOKOSA-N 0 3 320.408 2.309 20 30 DEEDHN C#CCC1(C(=O)NCCN(C)C[C@H](CC)OC)CCCCC1 ZINC001567321671 1064143240 /nfs/dbraw/zinc/14/32/40/1064143240.db2.gz AONCFTVJUDCPTO-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1cccc(F)c1 ZINC001567390918 1064175850 /nfs/dbraw/zinc/17/58/50/1064175850.db2.gz DBZUMHBYIBEDON-KRWDZBQOSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001567399324 1064180724 /nfs/dbraw/zinc/18/07/24/1064180724.db2.gz RWGSOLOMZCRAPN-MAUKXSAKSA-N 0 3 320.408 2.091 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)CCCC2CCCC2)C1 ZINC001567418858 1064192065 /nfs/dbraw/zinc/19/20/65/1064192065.db2.gz BZOGUANTJVRMDL-GOSISDBHSA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC001494324415 1064211542 /nfs/dbraw/zinc/21/15/42/1064211542.db2.gz VOKDOIQMJJCRBI-DLBZAZTESA-N 0 3 306.450 2.330 20 30 DEEDHN CC/C(C)=C/C(=O)N(C)CCNCc1ccc(OC)c(C#N)c1 ZINC001567491519 1064223677 /nfs/dbraw/zinc/22/36/77/1064223677.db2.gz CSNPVCXJWRDDND-GXDHUFHOSA-N 0 3 315.417 2.471 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C1(F)CCCC1 ZINC001567523154 1064236038 /nfs/dbraw/zinc/23/60/38/1064236038.db2.gz SPPHUIJBSODFGJ-UHFFFAOYSA-N 0 3 309.410 2.450 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2cccc(F)c2)cn1 ZINC001567592340 1064266866 /nfs/dbraw/zinc/26/68/66/1064266866.db2.gz VNDZAZZBMHEENJ-UHFFFAOYSA-N 0 3 311.360 2.064 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C(C)(C)COC)c1ccccc1 ZINC001567660753 1064324900 /nfs/dbraw/zinc/32/49/00/1064324900.db2.gz ISOSUMRALBXOTH-MRXNPFEDSA-N 0 3 302.418 2.129 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1 ZINC001567661229 1064325683 /nfs/dbraw/zinc/32/56/83/1064325683.db2.gz SQBHXTRIFOHFAB-UFYUIRFASA-N 0 3 312.413 2.043 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001567689029 1064346968 /nfs/dbraw/zinc/34/69/68/1064346968.db2.gz PKHMOEDNEXKRIE-OAHLLOKOSA-N 0 3 314.433 2.237 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n[nH]1 ZINC001494644647 1064376135 /nfs/dbraw/zinc/37/61/35/1064376135.db2.gz FVPNJOAYCXWQRW-GJZGRUSLSA-N 0 3 302.422 2.363 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]n1 ZINC001494644647 1064376141 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324.428 2.357 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001570089952 1065920418 /nfs/dbraw/zinc/92/04/18/1065920418.db2.gz ZYGOZHLUXWQGDD-HZPDHXFCSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)Oc2ccccc2F)CCC1 ZINC001570105045 1065925474 /nfs/dbraw/zinc/92/54/74/1065925474.db2.gz FZQLYTXPQGGTAU-CQSZACIVSA-N 0 3 318.392 2.245 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001497173566 1065942644 /nfs/dbraw/zinc/94/26/44/1065942644.db2.gz VWVKEBXTMZHWGG-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)nnc1CC ZINC001497216382 1065967290 /nfs/dbraw/zinc/96/72/90/1065967290.db2.gz DPNXEMCTPCLNEL-LLVKDONJSA-N 0 3 310.829 2.198 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(O)(CNCC(=C)Cl)CC1 ZINC001570418880 1066056929 /nfs/dbraw/zinc/05/69/29/1066056929.db2.gz FFEKEFMNYRVAFH-AWEZNQCLSA-N 0 3 314.857 2.284 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ncccc2C)[C@H](C)C1 ZINC001570431394 1066060413 /nfs/dbraw/zinc/06/04/13/1066060413.db2.gz JRDDIDCVQYOXMB-HZPDHXFCSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001570431619 1066063421 /nfs/dbraw/zinc/06/34/21/1066063421.db2.gz MFMVVCNMPWIKQP-YOEHRIQHSA-N 0 3 320.408 2.497 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCc1ccc(OC)c(F)c1 ZINC001497632053 1066198715 /nfs/dbraw/zinc/19/87/15/1066198715.db2.gz IVZOLMMOSQDSBE-WAYWQWQTSA-N 0 3 318.392 2.052 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](OCC)c1ccccc1 ZINC001497762684 1066294106 /nfs/dbraw/zinc/29/41/06/1066294106.db2.gz ABGKIQHNBXNVNI-IBSYWUHOSA-N 0 3 300.402 2.050 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001498018795 1066461620 /nfs/dbraw/zinc/46/16/20/1066461620.db2.gz ATXOHYZYBDLMKN-WMLDXEAASA-N 0 3 320.408 2.087 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)Nc1ccccc1C ZINC001498021831 1066464773 /nfs/dbraw/zinc/46/47/73/1066464773.db2.gz ROJPKKMDDFHGRO-GJZGRUSLSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@H](C)CNCC#CCOC)c1ccccc1 ZINC001498193857 1066551250 /nfs/dbraw/zinc/55/12/50/1066551250.db2.gz IFSFWJZKUBULKR-DLBZAZTESA-N 0 3 314.429 2.090 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](OCCCC)C1(C)C ZINC001632744825 1078390575 /nfs/dbraw/zinc/39/05/75/1078390575.db2.gz JJULBUGMYWLOQJ-HOTGVXAUSA-N 0 3 323.481 2.225 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(C)nc1OC ZINC001498623011 1066808803 /nfs/dbraw/zinc/80/88/03/1066808803.db2.gz XYFRLDMUQVPVCT-UHFFFAOYSA-N 0 3 311.813 2.203 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001634646713 1078435026 /nfs/dbraw/zinc/43/50/26/1078435026.db2.gz QOCCHUWGKOOBMM-ZDUSSCGKSA-N 0 3 304.438 2.114 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)COc1cccc(CC)c1 ZINC001499112805 1067104643 /nfs/dbraw/zinc/10/46/43/1067104643.db2.gz SMAQDFVXEBLJTD-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001499183600 1067133833 /nfs/dbraw/zinc/13/38/33/1067133833.db2.gz XXBBRONXEPBMJB-GHMZBOCLSA-N 0 3 307.344 2.424 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001499212695 1067143733 /nfs/dbraw/zinc/14/37/33/1067143733.db2.gz SZXMKSSMYJRJNT-KRWDZBQOSA-N 0 3 320.408 2.222 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2cc(C)cc(Cl)c2)CC1 ZINC001499290377 1067172038 /nfs/dbraw/zinc/17/20/38/1067172038.db2.gz WVKHOTDBIDACGO-UHFFFAOYSA-N 0 3 320.820 2.150 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)NCc1cncc(C)c1 ZINC001266990145 1078484448 /nfs/dbraw/zinc/48/44/48/1078484448.db2.gz LXJBGFGZFBHZQX-MRXNPFEDSA-N 0 3 321.424 2.208 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H](C)NCc1cnc(C)nc1)c1ccccc1 ZINC001266996566 1078487557 /nfs/dbraw/zinc/48/75/57/1078487557.db2.gz HYTPNNOSVNFRED-KSSFIOAISA-N 0 3 324.428 2.349 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(COC(C)C)cc2)CC1 ZINC001499443537 1067220804 /nfs/dbraw/zinc/22/08/04/1067220804.db2.gz QYDDGQXMZKWAKG-UHFFFAOYSA-N 0 3 314.429 2.487 20 30 DEEDHN CC(=O)CCCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001369223773 1148873586 /nfs/dbraw/zinc/87/35/86/1148873586.db2.gz FGQMXOZKYDYDSX-GFCCVEGCSA-N 0 3 321.446 2.316 20 30 DEEDHN COc1ccc(C(=O)N(C)CCNCc2cccc(C#N)c2)cc1 ZINC001267011094 1078497560 /nfs/dbraw/zinc/49/75/60/1078497560.db2.gz YSPADPAMOVFJGG-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)CCOC)C2)C1 ZINC001499573644 1067263368 /nfs/dbraw/zinc/26/33/68/1067263368.db2.gz GOWANOFLXWEULW-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN COc1ccc2c(c1)N(C(=O)[C@H](N)CCCC#N)CCCC2 ZINC001579244536 1067271218 /nfs/dbraw/zinc/27/12/18/1067271218.db2.gz ITUPMPZMJTZAAR-OAHLLOKOSA-N 0 3 301.390 2.386 20 30 DEEDHN Cn1c2cc(F)ccc2nc1NC(=O)[C@@H](N)CCCCC#N ZINC001579948083 1067460418 /nfs/dbraw/zinc/46/04/18/1067460418.db2.gz GYSVIOVPDXMSMK-NSHDSACASA-N 0 3 303.341 2.062 20 30 DEEDHN N#CCCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC001580051688 1067482905 /nfs/dbraw/zinc/48/29/05/1067482905.db2.gz OSWOJHXTNFLZKN-SFHVURJKSA-N 0 3 323.396 2.165 20 30 DEEDHN O=C(C#CC1CC1)N[C@H](CNCc1cccc(Cl)n1)C1CC1 ZINC001483559453 1078598257 /nfs/dbraw/zinc/59/82/57/1078598257.db2.gz FDOYPFRVDWVJFJ-OAHLLOKOSA-N 0 3 317.820 2.133 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cn1cnc2ccccc21 ZINC001640016547 1078637412 /nfs/dbraw/zinc/63/74/12/1078637412.db2.gz ZQDZUMFHCASLHP-UHFFFAOYSA-N 0 3 300.406 2.003 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001570630795 1068044742 /nfs/dbraw/zinc/04/47/42/1068044742.db2.gz LUADRAAULISYLR-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCC(=O)N(C)C1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001570658927 1068060081 /nfs/dbraw/zinc/06/00/81/1068060081.db2.gz QZNGKAJFPSMNFG-GRTSSRMGSA-N 0 3 319.453 2.500 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001570710653 1068084444 /nfs/dbraw/zinc/08/44/44/1068084444.db2.gz MRKXBTROZJDZFM-CGTJXYLNSA-N 0 3 316.445 2.429 20 30 DEEDHN C=C(Cl)CNCCCOC1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001570783355 1068116993 /nfs/dbraw/zinc/11/69/93/1068116993.db2.gz MBQKCEDWKKBUQX-SWLSCSKDSA-N 0 3 314.857 2.382 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)C(C)=C1CCC1 ZINC001570810518 1068122962 /nfs/dbraw/zinc/12/29/62/1068122962.db2.gz QTTYHJMYRGXHFG-KRWDZBQOSA-N 0 3 306.450 2.401 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cc1ccn(C(C)C)n1 ZINC001570822512 1068129774 /nfs/dbraw/zinc/12/97/74/1068129774.db2.gz FMKMKRCOYWZOIC-KRWDZBQOSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCCn1cccc1 ZINC001570828221 1068132304 /nfs/dbraw/zinc/13/23/04/1068132304.db2.gz HURUXIFLAXEJIN-QGZVFWFLSA-N 0 3 301.434 2.262 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(CCF)CC2)C(C)(C)C1 ZINC001570899096 1068154089 /nfs/dbraw/zinc/15/40/89/1068154089.db2.gz IOLOYXVDQIBGNG-AWEZNQCLSA-N 0 3 312.429 2.155 20 30 DEEDHN CC#CCCCC(=O)N1CCC2(CO[C@H](CNCCF)C2)CC1 ZINC001571072599 1068178515 /nfs/dbraw/zinc/17/85/15/1068178515.db2.gz CMJDIFFRGOETQG-INIZCTEOSA-N 0 3 324.440 2.137 20 30 DEEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)c1ccon1 ZINC001571231703 1068197206 /nfs/dbraw/zinc/19/72/06/1068197206.db2.gz HIZMMFNESDRDPP-SNVBAGLBSA-N 0 3 316.199 2.071 20 30 DEEDHN Cc1nc(CN[C@H](CCNC(=O)C#CC2CC2)C(C)C)c(C)o1 ZINC001571349154 1068239196 /nfs/dbraw/zinc/23/91/96/1068239196.db2.gz CHYQNKIUTOECNA-MRXNPFEDSA-N 0 3 317.433 2.325 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCC(=O)N1CCCCC1 ZINC001571398632 1068274387 /nfs/dbraw/zinc/27/43/87/1068274387.db2.gz AFLUQKSJCHQGBE-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](CO)NCc1ccc(C(C)C)cc1 ZINC001571428902 1068290067 /nfs/dbraw/zinc/29/00/67/1068290067.db2.gz RTLWBBZLMZNJHQ-SFHVURJKSA-N 0 3 316.445 2.036 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccnn2C2CCCC2)C1 ZINC001571478648 1068331932 /nfs/dbraw/zinc/33/19/32/1068331932.db2.gz GCCDTHVOIRKQNC-HUUCEWRRSA-N 0 3 314.433 2.214 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cc(F)ccc2F)C1 ZINC001571484852 1068341173 /nfs/dbraw/zinc/34/11/73/1068341173.db2.gz JJOJVYCWUXISRY-SWLSCSKDSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccccc2F)C1 ZINC001571492177 1068348836 /nfs/dbraw/zinc/34/88/36/1068348836.db2.gz ATDWCVUACIUNNY-ZBFHGGJFSA-N 0 3 302.393 2.361 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC001571520602 1068388044 /nfs/dbraw/zinc/38/80/44/1068388044.db2.gz HYWXQHOGNQSGHF-SJLPKXTDSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001511896481 1068419096 /nfs/dbraw/zinc/41/90/96/1068419096.db2.gz DUBBTSIHGKSTHN-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)C2(F)CCCCC2)CC1(C)C ZINC001571566576 1068423983 /nfs/dbraw/zinc/42/39/83/1068423983.db2.gz VXBWHBCGLMLTAW-HNNXBMFYSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)Cc1ccc(F)cc1 ZINC001571604863 1068436471 /nfs/dbraw/zinc/43/64/71/1068436471.db2.gz IBDBULARDUMSRX-MRXNPFEDSA-N 0 3 322.424 2.289 20 30 DEEDHN C=CCCCC(=O)N[C@H](CNCc1cncn1C)C(C)(C)C ZINC001571631884 1068450388 /nfs/dbraw/zinc/45/03/88/1068450388.db2.gz IHJSZXKTJPXVAR-OAHLLOKOSA-N 0 3 306.454 2.397 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC001571644406 1068457451 /nfs/dbraw/zinc/45/74/51/1068457451.db2.gz PBYZMSGGNJEVNO-HZPDHXFCSA-N 0 3 313.445 2.425 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC001571661854 1068466063 /nfs/dbraw/zinc/46/60/63/1068466063.db2.gz HBZGFSCLDPZEDY-UHFFFAOYSA-N 0 3 302.422 2.220 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H](OC)C3CCCC3)CC2)CC1 ZINC001571670138 1068471375 /nfs/dbraw/zinc/47/13/75/1068471375.db2.gz ACDHKQVTVJXDOX-QGZVFWFLSA-N 0 3 318.461 2.186 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001571839045 1068550267 /nfs/dbraw/zinc/55/02/67/1068550267.db2.gz JREVCKXCSOHXSM-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001267305858 1078751880 /nfs/dbraw/zinc/75/18/80/1078751880.db2.gz OPVMYMDVFKENSH-GJZGRUSLSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001483661271 1078760139 /nfs/dbraw/zinc/76/01/39/1078760139.db2.gz ILYLYVKHRVXSRQ-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCCO2)CCC1 ZINC001483676997 1078776265 /nfs/dbraw/zinc/77/62/65/1078776265.db2.gz HLTCLBUWUKLWLC-HOTGVXAUSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCCC(=O)N(C)CCNC[C@H](O)c1ccc(F)cc1F ZINC001267353925 1078787551 /nfs/dbraw/zinc/78/75/51/1078787551.db2.gz WZSIOENBPBPOQY-HNNXBMFYSA-N 0 3 312.360 2.012 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1cc(C)on1 ZINC001515318460 1068861496 /nfs/dbraw/zinc/86/14/96/1068861496.db2.gz LTWBHCRAURXIHL-CQSZACIVSA-N 0 3 305.378 2.321 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CCc1cnccn1)c1ccccc1 ZINC001267376265 1078806342 /nfs/dbraw/zinc/80/63/42/1078806342.db2.gz BKCZXKCUVQJGOI-SFHVURJKSA-N 0 3 324.428 2.432 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)[C@H](CC)N(C)C)[C@H]1CC ZINC001519950731 1069086222 /nfs/dbraw/zinc/08/62/22/1069086222.db2.gz YWZPGFRBYIEAGC-XHSDSOJGSA-N 0 3 323.481 2.179 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccccn3)CC2)cc1 ZINC001483712051 1078844266 /nfs/dbraw/zinc/84/42/66/1078844266.db2.gz PKTIUIWOPHXYRN-UHFFFAOYSA-N 0 3 306.369 2.005 20 30 DEEDHN C=C(CC)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001521676648 1069261046 /nfs/dbraw/zinc/26/10/46/1069261046.db2.gz HCPQWYLCQIORNU-MSOLQXFVSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001574852411 1069277646 /nfs/dbraw/zinc/27/76/46/1069277646.db2.gz SBJSJYAWASPKQF-VIFPVBQESA-N 0 3 302.708 2.160 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001574871980 1069282841 /nfs/dbraw/zinc/28/28/41/1069282841.db2.gz AHHIXOIMDSJZSP-BLLLJJGKSA-N 0 3 304.394 2.068 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2c(C)cnn2C)C1 ZINC001267475026 1078896110 /nfs/dbraw/zinc/89/61/10/1078896110.db2.gz MHKDXCPBLYFBSA-OAHLLOKOSA-N 0 3 304.438 2.231 20 30 DEEDHN CC[C@@H](C)N1CCN(c2nnc(CCCC#N)n2CC)CC1 ZINC001121759263 1078901794 /nfs/dbraw/zinc/90/17/94/1078901794.db2.gz PMFLRNGOYDZDMS-CQSZACIVSA-N 0 3 304.442 2.065 20 30 DEEDHN COc1cccc([C@H](C)NC2(CNC(=O)C#CC3CC3)CC2)c1 ZINC001483732935 1078909823 /nfs/dbraw/zinc/90/98/23/1078909823.db2.gz PWFGYUPLZXNNDI-AWEZNQCLSA-N 0 3 312.413 2.408 20 30 DEEDHN COc1cccc([C@@H](C)NC2(CNC(=O)C#CC3CC3)CC2)c1 ZINC001483732936 1078909847 /nfs/dbraw/zinc/90/98/47/1078909847.db2.gz PWFGYUPLZXNNDI-CQSZACIVSA-N 0 3 312.413 2.408 20 30 DEEDHN CCCCCCCN1CCC[C@@]12CCN([C@@H](CC)C(N)=O)C2=O ZINC001272478357 1078912741 /nfs/dbraw/zinc/91/27/41/1078912741.db2.gz JFTWEKXNKPFGFJ-YJBOKZPZSA-N 0 3 323.481 2.288 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001493330931 1078917154 /nfs/dbraw/zinc/91/71/54/1078917154.db2.gz NVYTUTVXNICAEP-LJQANCHMSA-N 0 3 314.429 2.154 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](O)CN[C@H](C)c2ccccc2F)C1 ZINC001272520986 1078946769 /nfs/dbraw/zinc/94/67/69/1078946769.db2.gz MODOJDKKBOCKTO-KGLIPLIRSA-N 0 3 320.408 2.310 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H]2CCCOCC2)C1 ZINC001267540552 1078970869 /nfs/dbraw/zinc/97/08/69/1078970869.db2.gz OTJSHZGEQPYCJA-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC001272594215 1078996525 /nfs/dbraw/zinc/99/65/25/1078996525.db2.gz QOBMHAANCZZBNB-IBGZPJMESA-N 0 3 314.429 2.314 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1cccnc1 ZINC001272619937 1079015026 /nfs/dbraw/zinc/01/50/26/1079015026.db2.gz KLIGTCQBUJCUJR-NSHDSACASA-N 0 3 312.211 2.088 20 30 DEEDHN C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618778 1079015740 /nfs/dbraw/zinc/01/57/40/1079015740.db2.gz OIXJSLSJTWFLRN-SFHVURJKSA-N 0 3 300.402 2.393 20 30 DEEDHN C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618778 1079015750 /nfs/dbraw/zinc/01/57/50/1079015750.db2.gz OIXJSLSJTWFLRN-SFHVURJKSA-N 0 3 300.402 2.393 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001267596639 1079114319 /nfs/dbraw/zinc/11/43/19/1079114319.db2.gz QUNJRMDWUXDGEK-BRLPQQTGSA-N 0 3 300.830 2.112 20 30 DEEDHN CCC1(C(=O)NCC2(NCC#CCOC)CC2)CCCCC1 ZINC001483793598 1079124326 /nfs/dbraw/zinc/12/43/26/1079124326.db2.gz JRQZKERSBSLBEB-UHFFFAOYSA-N 0 3 306.450 2.235 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC[C@@H](C)OC)C2)C1 ZINC001483828962 1079141265 /nfs/dbraw/zinc/14/12/65/1079141265.db2.gz DTUOTLQQWNWXBA-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCN(CCc2c(F)cccc2F)C1 ZINC001481084936 1079166039 /nfs/dbraw/zinc/16/60/39/1079166039.db2.gz XXMFMMPPABKEKE-CHWSQXEVSA-N 0 3 321.371 2.105 20 30 DEEDHN Cc1nc(C)c(CN2CC[C@@H](CNC(=O)C#CC(C)C)C2)s1 ZINC001481085840 1079171345 /nfs/dbraw/zinc/17/13/45/1079171345.db2.gz BEUIFALHOWZJJH-HNNXBMFYSA-N 0 3 319.474 2.357 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001481102139 1079184547 /nfs/dbraw/zinc/18/45/47/1079184547.db2.gz SRQOLVMWVQOTDH-KRWDZBQOSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C(C)(C)C)n1 ZINC001483922764 1079185703 /nfs/dbraw/zinc/18/57/03/1079185703.db2.gz MVKGQGJJWIBWCL-CYBMUJFWSA-N 0 3 319.453 2.149 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)OCCC=C)C2 ZINC001484019330 1079246197 /nfs/dbraw/zinc/24/61/97/1079246197.db2.gz ANZGLLZCMKVLEO-MJGOQNOKSA-N 0 3 318.461 2.305 20 30 DEEDHN COCc1cccc(CN2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)c1 ZINC001484035976 1079258007 /nfs/dbraw/zinc/25/80/07/1079258007.db2.gz BYVHSOKNYLGPKR-RDTXWAMCSA-N 0 3 315.417 2.073 20 30 DEEDHN CSC1CCC(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC001646791055 1074619636 /nfs/dbraw/zinc/61/96/36/1074619636.db2.gz XVCUDXQNXRAOKX-DJXCBJAISA-N 0 3 321.490 2.164 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001646796566 1074622771 /nfs/dbraw/zinc/62/27/71/1074622771.db2.gz BOBAVTYSKLONAX-GUBZILKMSA-N 0 3 314.735 2.073 20 30 DEEDHN C[C@@H]1[C@@H](C(=O)C(C#N)c2nc(N)c3ccccc3n2)C1(F)F ZINC001646837733 1074643384 /nfs/dbraw/zinc/64/33/84/1074643384.db2.gz OZMDAHABRSOPFO-ZOFUNIGCSA-N 0 3 302.284 2.289 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@]2(CC2(F)F)C1 ZINC001649919539 1079302869 /nfs/dbraw/zinc/30/28/69/1079302869.db2.gz CWBUARCVCUGIRM-HOCLYGCPSA-N 0 3 322.355 2.419 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc2c1OCC2)C1CC1 ZINC001481187810 1079309058 /nfs/dbraw/zinc/30/90/58/1079309058.db2.gz LEQROHNFSBZBNG-UHFFFAOYSA-N 0 3 300.402 2.392 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)CCc2ccco2)CC1 ZINC001647051136 1074772866 /nfs/dbraw/zinc/77/28/66/1074772866.db2.gz JNLMFCBDDCXGMH-UHFFFAOYSA-N 0 3 320.433 2.338 20 30 DEEDHN C=CCN(CCNC(=O)c1cnc(C(C)(C)C)nc1)C1CC1 ZINC001481200705 1079334472 /nfs/dbraw/zinc/33/44/72/1079334472.db2.gz VGOHJQZGULLEAD-UHFFFAOYSA-N 0 3 302.422 2.154 20 30 DEEDHN Cc1ncc(CN(C)C[C@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001267646192 1079335019 /nfs/dbraw/zinc/33/50/19/1079335019.db2.gz MYAHPVCKSOOXQH-OAHLLOKOSA-N 0 3 319.474 2.391 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001647452216 1074931600 /nfs/dbraw/zinc/93/16/00/1074931600.db2.gz VSTIYBKKXDHFQN-OLZOCXBDSA-N 0 3 307.825 2.099 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001566676885 1074976502 /nfs/dbraw/zinc/97/65/02/1074976502.db2.gz VQXDOKLGHIDSMH-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001484195434 1079353225 /nfs/dbraw/zinc/35/32/25/1079353225.db2.gz HQBVXDSRUQUSSA-NWDGAFQWSA-N 0 3 322.346 2.374 20 30 DEEDHN C=C(C)CS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001562010475 1075157746 /nfs/dbraw/zinc/15/77/46/1075157746.db2.gz HDQNGWWIQFVVHD-GJZGRUSLSA-N 0 3 300.468 2.087 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC001565503889 1075181261 /nfs/dbraw/zinc/18/12/61/1075181261.db2.gz DYUNICHRENCIJH-QZTJIDSGSA-N 0 3 311.429 2.422 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)cn1 ZINC001565504138 1075181353 /nfs/dbraw/zinc/18/13/53/1075181353.db2.gz ZAJSQZAXMNQMJP-CABCVRRESA-N 0 3 302.422 2.158 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)C1 ZINC001565908167 1075205477 /nfs/dbraw/zinc/20/54/77/1075205477.db2.gz LHILPQXUBJLQQP-QWHCGFSZSA-N 0 3 320.462 2.269 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)[C@H]1CC ZINC001566025281 1075218226 /nfs/dbraw/zinc/21/82/26/1075218226.db2.gz JJUYXWGEUUWHBG-QJPTWQEYSA-N 0 3 308.344 2.109 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001566030147 1075218247 /nfs/dbraw/zinc/21/82/47/1075218247.db2.gz BUGZPOHIRGSBMO-KRWDZBQOSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCC(=O)NC(C)C)C1 ZINC001566072445 1075224705 /nfs/dbraw/zinc/22/47/05/1075224705.db2.gz TZXRETGJHWRLPF-MRXNPFEDSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H]1C ZINC001566094315 1075228185 /nfs/dbraw/zinc/22/81/85/1075228185.db2.gz IRWMTOVNHFNCAC-NEPJUHHUSA-N 0 3 302.340 2.321 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001566094573 1075228738 /nfs/dbraw/zinc/22/87/38/1075228738.db2.gz OOYXLGAIZLDQAK-DFBGVHRSSA-N 0 3 304.438 2.285 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)Oc1cccnc1 ZINC001566124306 1075232851 /nfs/dbraw/zinc/23/28/51/1075232851.db2.gz OREAFWRESNXQSP-HOTGVXAUSA-N 0 3 317.433 2.348 20 30 DEEDHN CC[C@H]1CCC[C@H]1C(=O)NCCCN(CC#CCOC)C1CC1 ZINC001566596313 1075293342 /nfs/dbraw/zinc/29/33/42/1075293342.db2.gz CQUZJPWOIZDNLO-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2cc(C)cc(F)c2)CC1 ZINC001566652087 1075304896 /nfs/dbraw/zinc/30/48/96/1075304896.db2.gz DQKIYVCQUKVPTH-UHFFFAOYSA-N 0 3 319.424 2.058 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001566662116 1075308409 /nfs/dbraw/zinc/30/84/09/1075308409.db2.gz HJVHXXPDTSPFPM-AEFFLSMTSA-N 0 3 314.429 2.032 20 30 DEEDHN C#CCCN1CC(CNC(=O)C[C@@H](C)c2cccc(OC)c2)C1 ZINC001267700951 1079388216 /nfs/dbraw/zinc/38/82/16/1079388216.db2.gz KQNYRRGAUDSRQL-OAHLLOKOSA-N 0 3 314.429 2.260 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC001566768330 1075339381 /nfs/dbraw/zinc/33/93/81/1075339381.db2.gz JXMUXKUHZIQEPM-HNNXBMFYSA-N 0 3 307.397 2.371 20 30 DEEDHN CC(C)(F)C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566780414 1075343027 /nfs/dbraw/zinc/34/30/27/1075343027.db2.gz HJIJDQYBNMKWDF-SHTZXODSSA-N 0 3 306.356 2.162 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@H]21 ZINC001566823823 1075353561 /nfs/dbraw/zinc/35/35/61/1075353561.db2.gz ALMOWBHCMZCECW-COXDATCZSA-N 0 3 324.852 2.092 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566848147 1075360781 /nfs/dbraw/zinc/36/07/81/1075360781.db2.gz DOHFUJFGUOKWAD-BBWFWOEESA-N 0 3 320.383 2.408 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001566923915 1075388288 /nfs/dbraw/zinc/38/82/88/1075388288.db2.gz CPYFFHXNEFISHZ-NVXWUHKLSA-N 0 3 318.465 2.461 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)CCC(C)C ZINC001566932722 1075391659 /nfs/dbraw/zinc/39/16/59/1075391659.db2.gz CUZYFBUSGMUYTM-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001566966784 1075402966 /nfs/dbraw/zinc/40/29/66/1075402966.db2.gz ZEPVLBWUPYQHMW-IRXDYDNUSA-N 0 3 306.450 2.209 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001567004928 1075414109 /nfs/dbraw/zinc/41/41/09/1075414109.db2.gz WEQJEXVGPFWVMV-FEAKQIBJSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2cc(OC)no2)C1 ZINC001567163874 1075449511 /nfs/dbraw/zinc/44/95/11/1075449511.db2.gz ZLUYHNWDRFGIIA-STQMWFEESA-N 0 3 307.394 2.166 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1CCCNC(C)=O ZINC001567241345 1075470932 /nfs/dbraw/zinc/47/09/32/1075470932.db2.gz FMNQSTCXBOXHAH-QGZVFWFLSA-N 0 3 315.417 2.448 20 30 DEEDHN COc1ccc(CN(C)CCNC(=O)C#CC(C)(C)C)cc1 ZINC001567281942 1075486626 /nfs/dbraw/zinc/48/66/26/1075486626.db2.gz YNBGOBLOASVMQN-UHFFFAOYSA-N 0 3 302.418 2.293 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001481225611 1079436946 /nfs/dbraw/zinc/43/69/46/1079436946.db2.gz QOSOARDDXQISGZ-KBPBESRZSA-N 0 3 307.344 2.007 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2cc(F)cc(F)c2)C1 ZINC001267753590 1079454934 /nfs/dbraw/zinc/45/49/34/1079454934.db2.gz IAKXGLJGYIJXLE-CQSZACIVSA-N 0 3 310.344 2.110 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001267759835 1079461571 /nfs/dbraw/zinc/46/15/71/1079461571.db2.gz MUMCDGYKTWXOTL-AWEZNQCLSA-N 0 3 308.466 2.404 20 30 DEEDHN CCN1CCN(c2cccc(Nc3nnccc3C#N)c2)CC1 ZINC001650232314 1079468659 /nfs/dbraw/zinc/46/86/59/1079468659.db2.gz CUYXQQHOAMBKJQ-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001267771564 1079476855 /nfs/dbraw/zinc/47/68/55/1079476855.db2.gz IXVCUHKVWXGMKO-QGZVFWFLSA-N 0 3 318.465 2.335 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CCc1cccnc1 ZINC001481253601 1079478388 /nfs/dbraw/zinc/47/83/88/1079478388.db2.gz RMZKUPCNOUVFKD-UHFFFAOYSA-N 0 3 322.412 2.134 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2scnc2C)C1 ZINC001267775379 1079485997 /nfs/dbraw/zinc/48/59/97/1079485997.db2.gz QUYYWRHZLNMGRV-AWEZNQCLSA-N 0 3 307.463 2.493 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNC(=O)CN(CC)CC)CC1 ZINC001580353661 1075909035 /nfs/dbraw/zinc/90/90/35/1075909035.db2.gz VCDJKBOCCMEMLH-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2cnccc2C)C1 ZINC001267786354 1079495766 /nfs/dbraw/zinc/49/57/66/1079495766.db2.gz VUNQDDWRJTVWNB-INIZCTEOSA-N 0 3 317.433 2.129 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329443357 1148895896 /nfs/dbraw/zinc/89/58/96/1148895896.db2.gz ZBKKUXPYRYORKT-KGLIPLIRSA-N 0 3 322.836 2.315 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](CC)C1 ZINC001584535887 1076302907 /nfs/dbraw/zinc/30/29/07/1076302907.db2.gz POTPKQUTKBTUCL-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)C(C)(C)N(C)CC ZINC001584668314 1076313966 /nfs/dbraw/zinc/31/39/66/1076313966.db2.gz MRIZMUFIKKWUOF-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001585857760 1076374851 /nfs/dbraw/zinc/37/48/51/1076374851.db2.gz OCEUHIHILRMMLK-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCSCC[NH2+][C@H](CC)c1cccc(-c2nnn[n-]2)c1 ZINC001588363876 1076443275 /nfs/dbraw/zinc/44/32/75/1076443275.db2.gz GYHIXHOVBUOXMI-CQSZACIVSA-N 0 3 301.419 2.274 20 30 DEEDHN C#CCSCC[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1 ZINC001588363876 1076443279 /nfs/dbraw/zinc/44/32/79/1076443279.db2.gz GYHIXHOVBUOXMI-CQSZACIVSA-N 0 3 301.419 2.274 20 30 DEEDHN CC(C)C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)[NH+](C)C ZINC001589555809 1076499340 /nfs/dbraw/zinc/49/93/40/1076499340.db2.gz LYXWVGQCPSXOQB-ZDUSSCGKSA-N 0 3 313.409 2.127 20 30 DEEDHN CC(C)C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)[NH+](C)C ZINC001589555809 1076499341 /nfs/dbraw/zinc/49/93/41/1076499341.db2.gz LYXWVGQCPSXOQB-ZDUSSCGKSA-N 0 3 313.409 2.127 20 30 DEEDHN C[C@@H](CCC#N)[NH+]1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001589801281 1076517116 /nfs/dbraw/zinc/51/71/16/1076517116.db2.gz ASSGUQFXMJGGJZ-LBPRGKRZSA-N 0 3 311.393 2.133 20 30 DEEDHN N#CC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC001592673859 1076950214 /nfs/dbraw/zinc/95/02/14/1076950214.db2.gz QTZHZVXIRQIMTQ-CYBMUJFWSA-N 0 3 321.388 2.245 20 30 DEEDHN N#CC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC001592673859 1076950219 /nfs/dbraw/zinc/95/02/19/1076950219.db2.gz QTZHZVXIRQIMTQ-CYBMUJFWSA-N 0 3 321.388 2.245 20 30 DEEDHN N#CC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001592672739 1076950540 /nfs/dbraw/zinc/95/05/40/1076950540.db2.gz NTFSERBRRRDJQY-UHFFFAOYSA-N 0 3 300.341 2.178 20 30 DEEDHN N#CC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001592672739 1076950543 /nfs/dbraw/zinc/95/05/43/1076950543.db2.gz NTFSERBRRRDJQY-UHFFFAOYSA-N 0 3 300.341 2.178 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1CCCCO1)NCC#Cc1ccccc1 ZINC001267802283 1079504290 /nfs/dbraw/zinc/50/42/90/1079504290.db2.gz UZOPYNVIJUIGCW-ROUUACIJSA-N 0 3 314.429 2.092 20 30 DEEDHN CC[C@H](CNC(=O)C[C@H](C)COC)NCC#Cc1ccccc1 ZINC001267824136 1079518018 /nfs/dbraw/zinc/51/80/18/1079518018.db2.gz XLOGEGDIPIPVTN-FUHWJXTLSA-N 0 3 316.445 2.195 20 30 DEEDHN C[C@@H]1c2ccsc2CCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001650358125 1079557164 /nfs/dbraw/zinc/55/71/64/1079557164.db2.gz KLLOQMICJQGDOB-GWUZIGMUSA-N 0 3 315.442 2.333 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001272682010 1079566220 /nfs/dbraw/zinc/56/62/20/1079566220.db2.gz FPSZXOITTSSZMQ-IEBWSBKVSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001267964851 1079644863 /nfs/dbraw/zinc/64/48/63/1079644863.db2.gz JPEQEPNHUYEQNE-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)CCC1 ZINC001267964349 1079644944 /nfs/dbraw/zinc/64/49/44/1079644944.db2.gz PRNFINDKUWMKJV-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN C#CCOCCC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001267973440 1079655466 /nfs/dbraw/zinc/65/54/66/1079655466.db2.gz QBUIZMNUCRLBEJ-BAQGIRSFSA-N 0 3 324.852 2.093 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCc1ccncn1 ZINC001484553177 1079657557 /nfs/dbraw/zinc/65/75/57/1079657557.db2.gz ALBLRZWZXBFKCH-UHFFFAOYSA-N 0 3 324.428 2.343 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cncnc2C)cc1 ZINC001484559430 1079660068 /nfs/dbraw/zinc/66/00/68/1079660068.db2.gz IYCOEGZTPWDGDN-AWEZNQCLSA-N 0 3 322.412 2.389 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)CCCOC)cccc2C1 ZINC001484611828 1079680514 /nfs/dbraw/zinc/68/05/14/1079680514.db2.gz VPJOWYKYUYUZTN-UHFFFAOYSA-N 0 3 314.429 2.111 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)CNCc2cc(C)no2)cc1 ZINC001268000324 1079682008 /nfs/dbraw/zinc/68/20/08/1079682008.db2.gz YBVGDIXPXLDBHH-ZDUSSCGKSA-N 0 3 311.385 2.120 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2CCc3cc(F)ccc32)CCC1 ZINC001484642765 1079701535 /nfs/dbraw/zinc/70/15/35/1079701535.db2.gz MSVUIXPCTOXRIV-MRXNPFEDSA-N 0 3 300.377 2.117 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2scnc2C)CCC1 ZINC001484657697 1079711917 /nfs/dbraw/zinc/71/19/17/1079711917.db2.gz OEZZMOBDMRUUEX-UHFFFAOYSA-N 0 3 305.447 2.036 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CCCC[C@@H]2C)CCC1 ZINC001484665010 1079718284 /nfs/dbraw/zinc/71/82/84/1079718284.db2.gz YQUNJWAVLGDZJG-DLBZAZTESA-N 0 3 320.477 2.481 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C=C)C2)CC1 ZINC001484702419 1079729036 /nfs/dbraw/zinc/72/90/36/1079729036.db2.gz ZEUYFMFESVLBIM-QGZVFWFLSA-N 0 3 319.493 2.383 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@](C)(OC)c2ccccc2)CC1 ZINC001484723287 1079746727 /nfs/dbraw/zinc/74/67/27/1079746727.db2.gz GKSBELZGXVXILZ-HKUYNNGSSA-N 0 3 314.429 2.152 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1sc(C2CC2)nc1C ZINC001484743155 1079763447 /nfs/dbraw/zinc/76/34/47/1079763447.db2.gz XSSJJYMOUKXCFV-UHFFFAOYSA-N 0 3 305.447 2.356 20 30 DEEDHN C=CCOCC(=O)N1CCC(CC)(NCc2cscn2)CC1 ZINC001484809152 1079802780 /nfs/dbraw/zinc/80/27/80/1079802780.db2.gz BBVLDAHSHOIRQB-UHFFFAOYSA-N 0 3 323.462 2.207 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)c2ccsc2C)C1 ZINC001481429917 1079833113 /nfs/dbraw/zinc/83/31/13/1079833113.db2.gz IWPOPOGQCHDHJJ-OAHLLOKOSA-N 0 3 320.458 2.148 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](OCC)C(C)C)C(C)(C)C1 ZINC001484934333 1079866605 /nfs/dbraw/zinc/86/66/05/1079866605.db2.gz IAPCVVWUNWZYLU-CVEARBPZSA-N 0 3 308.466 2.288 20 30 DEEDHN C#CCN(C(=O)c1cccc(Cl)c1N)C1CCN(C)CC1 ZINC001652512971 1079881435 /nfs/dbraw/zinc/88/14/35/1079881435.db2.gz XDRKQJLKQGCPQV-UHFFFAOYSA-N 0 3 305.809 2.092 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cn(CCC(C)C)nn1 ZINC001485069507 1079948074 /nfs/dbraw/zinc/94/80/74/1079948074.db2.gz OPMBJPARJRHDFN-HNNXBMFYSA-N 0 3 319.453 2.047 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H](C)NC(=O)CC1CC1 ZINC001485113918 1079980752 /nfs/dbraw/zinc/98/07/52/1079980752.db2.gz IVSBJNHPEHPMAQ-CHWSQXEVSA-N 0 3 315.417 2.350 20 30 DEEDHN CCCCOCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001485131694 1079989812 /nfs/dbraw/zinc/98/98/12/1079989812.db2.gz IBUIPAZBGDHVPV-DLBZAZTESA-N 0 3 316.445 2.338 20 30 DEEDHN Cc1cc(CN[C@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)sn1 ZINC001485145404 1080012768 /nfs/dbraw/zinc/01/27/68/1080012768.db2.gz ULZVJEHAJYRKHX-OLZOCXBDSA-N 0 3 307.463 2.484 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CCCN(CCCCCF)C2)[nH]1 ZINC001481533989 1080014619 /nfs/dbraw/zinc/01/46/19/1080014619.db2.gz YIXOZACAHVPVDH-AWEZNQCLSA-N 0 3 306.385 2.220 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1cc(F)cc(F)c1 ZINC001656113026 1080049433 /nfs/dbraw/zinc/04/94/33/1080049433.db2.gz OTMUMPIKJPFBMR-OAHLLOKOSA-N 0 3 324.371 2.452 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(C)no2)[C@H](C)C1 ZINC001268131031 1080097828 /nfs/dbraw/zinc/09/78/28/1080097828.db2.gz XJUGNARTUSWVPS-CJNGLKHVSA-N 0 3 303.406 2.113 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2ccsc2)C1 ZINC001268157777 1080132390 /nfs/dbraw/zinc/13/23/90/1080132390.db2.gz CPADYYZNTJSHTG-HNNXBMFYSA-N 0 3 308.447 2.074 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCCC[C@@H](NCC(=O)NCC)C1 ZINC001656889475 1080135380 /nfs/dbraw/zinc/13/53/80/1080135380.db2.gz KCJBHXMFGOTDOJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)NCC1CN(C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC001481614799 1080144111 /nfs/dbraw/zinc/14/41/11/1080144111.db2.gz ILCUFJSOZCIPRF-QAPCUYQASA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001656998032 1080146455 /nfs/dbraw/zinc/14/64/55/1080146455.db2.gz SOQPQBJXDFFTTI-XLMAVXFVSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1occc1Cl ZINC001485347453 1080158493 /nfs/dbraw/zinc/15/84/93/1080158493.db2.gz JEZJRZZLYAJWEK-LLVKDONJSA-N 0 3 300.786 2.186 20 30 DEEDHN C=CCOc1ccc(CNC[C@@H]2CN(C)CCN2C)cc1Cl ZINC001657208704 1080164083 /nfs/dbraw/zinc/16/40/83/1080164083.db2.gz PTFJKASSYXSREX-OAHLLOKOSA-N 0 3 323.868 2.240 20 30 DEEDHN Cc1cc(CN[C@@H](C)[C@@H]2CCCN(C(=O)C#CC(C)C)C2)on1 ZINC001268180486 1080169666 /nfs/dbraw/zinc/16/96/66/1080169666.db2.gz WVBDRCMBKAXHIX-JKSUJKDBSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCOc1ccc(CNCc2ccc3oc(=O)n(C)c3c2)cc1 ZINC001657790744 1080186450 /nfs/dbraw/zinc/18/64/50/1080186450.db2.gz GUWPONSWHMCPEW-UHFFFAOYSA-N 0 3 322.364 2.433 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(CCN(C)[C@H](C)C(N)=O)CC1 ZINC001268199012 1080187234 /nfs/dbraw/zinc/18/72/34/1080187234.db2.gz BCWQRVYTACMUCO-CQSZACIVSA-N 0 3 323.481 2.023 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001268237690 1080218100 /nfs/dbraw/zinc/21/81/00/1080218100.db2.gz NYSURSUQVMOKEQ-QGZVFWFLSA-N 0 3 316.445 2.232 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCc1cccc(OC)c1F ZINC001268238538 1080220901 /nfs/dbraw/zinc/22/09/01/1080220901.db2.gz HFLMYJRATNFURZ-UHFFFAOYSA-N 0 3 320.408 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCO[C@H]1CC1(F)F ZINC001268244421 1080228307 /nfs/dbraw/zinc/22/83/07/1080228307.db2.gz CAVNVBSNWKKHQO-LBPRGKRZSA-N 0 3 304.381 2.013 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001268257200 1080236858 /nfs/dbraw/zinc/23/68/58/1080236858.db2.gz OLCWALOGSYUTKF-LSDHHAIUSA-N 0 3 320.383 2.482 20 30 DEEDHN CCCCCC(=O)N1CC[C@H]2[C@H](CCN2CC#CCOC)C1 ZINC001268261504 1080240848 /nfs/dbraw/zinc/24/08/48/1080240848.db2.gz DLNHLOGWSRQFCZ-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](OCC)C1CC1 ZINC001481676803 1080287651 /nfs/dbraw/zinc/28/76/51/1080287651.db2.gz NLHXMOWBDAJAOD-ULQDDVLXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccc(C)nc2)C(C)(C)C1 ZINC001485558067 1080297243 /nfs/dbraw/zinc/29/72/43/1080297243.db2.gz BEKUYIFRIWRPEL-INIZCTEOSA-N 0 3 317.433 2.033 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNCc1cc(C)ccc1F ZINC001268320820 1080325535 /nfs/dbraw/zinc/32/55/35/1080325535.db2.gz DBBVMEVXZHQLKH-QAPCUYQASA-N 0 3 322.424 2.303 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C(C)C)n(C)n1 ZINC001268367044 1080379497 /nfs/dbraw/zinc/37/94/97/1080379497.db2.gz QKSMYBDQPOUKNT-LBPRGKRZSA-N 0 3 312.845 2.394 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001485713069 1080395137 /nfs/dbraw/zinc/39/51/37/1080395137.db2.gz YCBVPQDQAVTHSV-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001661069467 1080437894 /nfs/dbraw/zinc/43/78/94/1080437894.db2.gz WMTQQJYNTWJJLC-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001661202045 1080454412 /nfs/dbraw/zinc/45/44/12/1080454412.db2.gz LSMUKYCOFQFOIN-ZIAGYGMSSA-N 0 3 315.458 2.162 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n[nH]1 ZINC001661239697 1080461693 /nfs/dbraw/zinc/46/16/93/1080461693.db2.gz IVPRIHTZEFWVJK-GASCZTMLSA-N 0 3 302.422 2.227 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3c(N)cccc3F)CC2)C1=O ZINC001272709494 1080467785 /nfs/dbraw/zinc/46/77/85/1080467785.db2.gz HTNYEUOESWRSGC-UHFFFAOYSA-N 0 3 317.408 2.408 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001661391455 1080476515 /nfs/dbraw/zinc/47/65/15/1080476515.db2.gz JROQAMMONDXWKO-RCBQFDQVSA-N 0 3 320.433 2.166 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001661421639 1080479896 /nfs/dbraw/zinc/47/98/96/1080479896.db2.gz FWQRJPCLDIUXNS-LXTVHRRPSA-N 0 3 318.392 2.162 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001661463085 1080483843 /nfs/dbraw/zinc/48/38/43/1080483843.db2.gz NEVACWMOHZAGAE-RBSFLKMASA-N 0 3 302.422 2.124 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2cnccn2)C1 ZINC001661471628 1080484801 /nfs/dbraw/zinc/48/48/01/1080484801.db2.gz XBJMMGLLWBGHQJ-WSMBLCCSSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001481771561 1080488635 /nfs/dbraw/zinc/48/86/35/1080488635.db2.gz XCSVAGMLCSHMKL-OAHLLOKOSA-N 0 3 320.408 2.486 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001661604984 1080498397 /nfs/dbraw/zinc/49/83/97/1080498397.db2.gz FVDGTRCUOVCFJP-WCFLWFBJSA-N 0 3 305.426 2.013 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001268455142 1080500113 /nfs/dbraw/zinc/50/01/13/1080500113.db2.gz ZBNNRBMLLYPOCC-UHFFFAOYSA-N 0 3 311.385 2.015 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)nc2)C1 ZINC001481783186 1080502419 /nfs/dbraw/zinc/50/24/19/1080502419.db2.gz VVCWBYWJLNZGTE-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001661742436 1080516700 /nfs/dbraw/zinc/51/67/00/1080516700.db2.gz CKMTZVUNOFARRK-HZPDHXFCSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1CNCc1ccns1 ZINC001661917955 1080544659 /nfs/dbraw/zinc/54/46/59/1080544659.db2.gz RJEJLHKHGXIIAC-CQSZACIVSA-N 0 3 305.447 2.417 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)N(C)C ZINC001661950412 1080549288 /nfs/dbraw/zinc/54/92/88/1080549288.db2.gz PRKNUBRXQPOFSX-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN O=C(NC1(CNCC#Cc2ccccc2)CCCC1)c1ncc[nH]1 ZINC001481896164 1080587962 /nfs/dbraw/zinc/58/79/62/1080587962.db2.gz GSIFLOGEASYVJP-UHFFFAOYSA-N 0 3 322.412 2.094 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@](C)(CNCc1cccc(F)c1F)C1CC1 ZINC001481926403 1080617230 /nfs/dbraw/zinc/61/72/30/1080617230.db2.gz YTKHUIMLEHKIFG-PIGZYNQJSA-N 0 3 321.371 2.499 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001481972648 1080656449 /nfs/dbraw/zinc/65/64/49/1080656449.db2.gz MEZSTBQBRPIGGZ-ZDUSSCGKSA-N 0 3 311.813 2.188 20 30 DEEDHN CC(C)C#CC(=O)NCC[C@H](C)NCc1cc(C2CC2)no1 ZINC001662913907 1080676681 /nfs/dbraw/zinc/67/66/81/1080676681.db2.gz DEWNGZZKKSMNNC-ZDUSSCGKSA-N 0 3 303.406 2.196 20 30 DEEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2nccn2C)CCC1 ZINC001662970722 1080681481 /nfs/dbraw/zinc/68/14/81/1080681481.db2.gz LWSUPGHLBHZHRZ-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@]2(C)CCCOC2)cc1 ZINC001482032923 1080714672 /nfs/dbraw/zinc/71/46/72/1080714672.db2.gz AJRFFCQHMUPBMJ-LJQANCHMSA-N 0 3 314.429 2.232 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)c2ccsn2)c1 ZINC001268553941 1080749699 /nfs/dbraw/zinc/74/96/99/1080749699.db2.gz FTEOCEHKHXHCMX-OWOJBTEDSA-N 0 3 312.398 2.091 20 30 DEEDHN CCC(CC)(CC)C(=O)NC[C@H]1CCN(CC#CCOC)C1 ZINC001663628539 1080792168 /nfs/dbraw/zinc/79/21/68/1080792168.db2.gz CQRMLJOAFSDQII-MRXNPFEDSA-N 0 3 308.466 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DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001670144272 1081498432 /nfs/dbraw/zinc/49/84/32/1081498432.db2.gz MPOSNLSDJHVLQN-UHFFFAOYSA-N 0 3 320.824 2.447 20 30 DEEDHN C#CCN(C(=O)c1coc(C)c1)C1CCN(CCOCC)CC1 ZINC001270307860 1081499161 /nfs/dbraw/zinc/49/91/61/1081499161.db2.gz BDDUJFHZPJNBMW-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN Cc1c(C(=O)N(C)CCCNCc2ccccc2C#N)ccn1C ZINC001670241411 1081504410 /nfs/dbraw/zinc/50/44/10/1081504410.db2.gz FMIBBWWJWZBMKB-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001671337573 1081513744 /nfs/dbraw/zinc/51/37/44/1081513744.db2.gz NKNJAEDSLMFPIJ-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001671660564 1081530760 /nfs/dbraw/zinc/53/07/60/1081530760.db2.gz UQCPZTUQOLEYRQ-RDJZCZTQSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2ccccc2OCC)C1 ZINC001671688849 1081533312 /nfs/dbraw/zinc/53/33/12/1081533312.db2.gz 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ZINC001673168982 1081743417 /nfs/dbraw/zinc/74/34/17/1081743417.db2.gz ZTKWAFVNPDAYGT-UHFFFAOYSA-N 0 3 318.392 2.165 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H](C)n2cccc2)CC1 ZINC001673402525 1081767381 /nfs/dbraw/zinc/76/73/81/1081767381.db2.gz UNHAQXWYSNHQQE-DLBZAZTESA-N 0 3 301.434 2.433 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1sc(C)nc1C ZINC001673454326 1081771115 /nfs/dbraw/zinc/77/11/15/1081771115.db2.gz IHXDOQPQYOKPQD-UHFFFAOYSA-N 0 3 307.463 2.106 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](OCC)c2ccccc2)CC1 ZINC001673407649 1081768259 /nfs/dbraw/zinc/76/82/59/1081768259.db2.gz VDKWOVOYZQAXTJ-QZTJIDSGSA-N 0 3 314.429 2.368 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001673491697 1081776589 /nfs/dbraw/zinc/77/65/89/1081776589.db2.gz PGWHLDOMFLPPGX-QGZVFWFLSA-N 0 3 304.409 2.371 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001673676329 1081791109 /nfs/dbraw/zinc/79/11/09/1081791109.db2.gz RMFZUYGDYWUNKH-LJQANCHMSA-N 0 3 320.477 2.169 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001673709103 1081793186 /nfs/dbraw/zinc/79/31/86/1081793186.db2.gz IPSGOXSSJFWLDB-LADRWXRNSA-N 0 3 320.477 2.025 20 30 DEEDHN Cc1cc(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]2C)on1 ZINC001482421085 1081809754 /nfs/dbraw/zinc/80/97/54/1081809754.db2.gz HETOHIFTWYNNHX-XJKSGUPXSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1noc(C(C)(C)C)c1C ZINC001673962883 1081818942 /nfs/dbraw/zinc/81/89/42/1081818942.db2.gz HBUAFVRZVLLVFE-UHFFFAOYSA-N 0 3 306.410 2.357 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](C)OCC(C)C)C(C)(C)C1 ZINC001674008038 1081824362 /nfs/dbraw/zinc/82/43/62/1081824362.db2.gz YDSHDHWYXSLZOY-CVEARBPZSA-N 0 3 308.466 2.288 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001270919407 1081838526 /nfs/dbraw/zinc/83/85/26/1081838526.db2.gz KRFUTGQSGUVSAX-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CC[C@@H](C)OC)CC2)C1 ZINC001674279073 1081855970 /nfs/dbraw/zinc/85/59/70/1081855970.db2.gz BBYIUAHFKNMAOE-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncc(C)cc2OC)C1 ZINC001270966486 1081858841 /nfs/dbraw/zinc/85/88/41/1081858841.db2.gz YUKFSMYZMINSGT-GOSISDBHSA-N 0 3 317.433 2.417 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCC(=O)NC1CCCCC1 ZINC001270975337 1081859890 /nfs/dbraw/zinc/85/98/90/1081859890.db2.gz FBWLEFOPGGRUOP-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1cccnc1C ZINC001674480646 1081878895 /nfs/dbraw/zinc/87/88/95/1081878895.db2.gz JIKQJYOCNZTCJY-INIZCTEOSA-N 0 3 317.433 2.129 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccnc(OC)c1 ZINC001674715542 1081911080 /nfs/dbraw/zinc/91/10/80/1081911080.db2.gz ICMBONIKKDVCIW-GJZGRUSLSA-N 0 3 317.433 2.267 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001266274795 1081932571 /nfs/dbraw/zinc/93/25/71/1081932571.db2.gz BPLGNRFYSHLXSJ-UONOGXRCSA-N 0 3 322.836 2.487 20 30 DEEDHN CCCCCCCN1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001266283381 1081939861 /nfs/dbraw/zinc/93/98/61/1081939861.db2.gz OPRXFPNOVTZTTO-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN CC[C@H](CC(F)(F)F)C(=O)N(C)[C@H](C)CNCC#CCOC ZINC001271170216 1081972394 /nfs/dbraw/zinc/97/23/94/1081972394.db2.gz ITGOWORXNPPLRL-CHWSQXEVSA-N 0 3 322.371 2.051 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cccc(NC(=O)CC)c1 ZINC001480871043 1082003775 /nfs/dbraw/zinc/00/37/75/1082003775.db2.gz HIIMLXUAKPLXAA-UHFFFAOYSA-N 0 3 303.406 2.273 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCc1cncs1 ZINC001282676053 1082017476 /nfs/dbraw/zinc/01/74/76/1082017476.db2.gz RQMBAPFLPBHRNS-HNNXBMFYSA-N 0 3 319.474 2.460 20 30 DEEDHN C=CC1(CC(=O)N[C@H](C)C2CN(CCCO)C2)CCCCC1 ZINC001282739902 1082026891 /nfs/dbraw/zinc/02/68/91/1082026891.db2.gz LJKLPSLDSUVEPO-OAHLLOKOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCC(=O)N(C)C(C)C ZINC001482484611 1082033432 /nfs/dbraw/zinc/03/34/32/1082033432.db2.gz HXXYQFYCMPTWTI-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)N(C)C(C)C ZINC001482484610 1082033733 /nfs/dbraw/zinc/03/37/33/1082033733.db2.gz HXXYQFYCMPTWTI-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cncc(CN2CC[C@@H](CNC(=O)C#CC(C)(C)C)C2)c1 ZINC001266514233 1082095026 /nfs/dbraw/zinc/09/50/26/1082095026.db2.gz NYZMRCCUBZRLCV-INIZCTEOSA-N 0 3 313.445 2.378 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2c(C)cccc2Cl)C1 ZINC001266520497 1082101333 /nfs/dbraw/zinc/10/13/33/1082101333.db2.gz OEZUWEOLFLKTMI-AWEZNQCLSA-N 0 3 304.821 2.262 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@H](C)CCCCC)CCO1 ZINC001649461396 1082117377 /nfs/dbraw/zinc/11/73/77/1082117377.db2.gz XQKIOTTZALQNCX-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(F)cc3ccoc32)C1 ZINC001266534526 1082126911 /nfs/dbraw/zinc/12/69/11/1082126911.db2.gz IVYUKTQHSIAYJK-AWEZNQCLSA-N 0 3 300.333 2.399 20 30 DEEDHN Cc1nsc(C)c1CN[C@H](CNC(=O)[C@H](C)C#N)C(C)C ZINC001482519711 1082140252 /nfs/dbraw/zinc/14/02/52/1082140252.db2.gz ZIFJTVKFHJGMMD-QMTHXVAHSA-N 0 3 308.451 2.150 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCc2cc(F)ccc2F)C1 ZINC001266551578 1082147904 /nfs/dbraw/zinc/14/79/04/1082147904.db2.gz VPFHOJDFJVMUJC-AWEZNQCLSA-N 0 3 320.383 2.359 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001671342877 1082174993 /nfs/dbraw/zinc/17/49/93/1082174993.db2.gz XGFJEFPAAPAKKF-MRXNPFEDSA-N 0 3 302.422 2.222 20 30 DEEDHN C=CCN(CCNC(=O)C[C@@H]1Cc2ccccc2O1)C1CC1 ZINC001266593937 1082181437 /nfs/dbraw/zinc/18/14/37/1082181437.db2.gz BRKSDXNGNCKGHL-INIZCTEOSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001271987521 1082220551 /nfs/dbraw/zinc/22/05/51/1082220551.db2.gz JDHMIKLMAUFMDD-MAUKXSAKSA-N 0 3 320.433 2.211 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](NCc2ccccn2)C(C)C)nc1 ZINC001482565538 1082234972 /nfs/dbraw/zinc/23/49/72/1082234972.db2.gz NGDKCRDNDWLFBG-GOSISDBHSA-N 0 3 322.412 2.002 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001670719129 1082250684 /nfs/dbraw/zinc/25/06/84/1082250684.db2.gz KUUAGARVEABSIO-WCQYABFASA-N 0 3 308.401 2.026 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001670719658 1082250869 /nfs/dbraw/zinc/25/08/69/1082250869.db2.gz SVXVQYAKRIBISX-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN CSC[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001266660817 1082256862 /nfs/dbraw/zinc/25/68/62/1082256862.db2.gz UFKWAZPAMCSFOP-GFCCVEGCSA-N 0 3 323.437 2.244 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001266705560 1082295324 /nfs/dbraw/zinc/29/53/24/1082295324.db2.gz LIBFRGSNMHZDQY-FFHOCLHESA-N 0 3 308.425 2.321 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001266707909 1082297158 /nfs/dbraw/zinc/29/71/58/1082297158.db2.gz IICMKPYOXUQVKS-BMFZPTHFSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@](C)(OC)c2ccccc2)C1 ZINC001266766960 1082330643 /nfs/dbraw/zinc/33/06/43/1082330643.db2.gz JTPZWKZDCOWYFC-LPHOPBHVSA-N 0 3 314.429 2.010 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3CCO)CCCC1 ZINC001272054353 1082342126 /nfs/dbraw/zinc/34/21/26/1082342126.db2.gz UWPBIRLEMXMLAK-HZPDHXFCSA-N 0 3 306.450 2.181 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](CNCc2nccn2C)C1 ZINC001266811553 1082362735 /nfs/dbraw/zinc/36/27/35/1082362735.db2.gz QGLXUZXIROPXQB-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001266830334 1082377378 /nfs/dbraw/zinc/37/73/78/1082377378.db2.gz WOOJFFZGPUOGTR-KRWDZBQOSA-N 0 3 317.433 2.167 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCOc1cccnc1 ZINC001266859788 1082403494 /nfs/dbraw/zinc/40/34/94/1082403494.db2.gz POHGZVKIRNWUEZ-INIZCTEOSA-N 0 3 317.433 2.397 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001266860072 1082404184 /nfs/dbraw/zinc/40/41/84/1082404184.db2.gz WMCQCOVTIJVCMY-SJORKVTESA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccccc1-n1cccn1 ZINC001482630379 1082422484 /nfs/dbraw/zinc/42/24/84/1082422484.db2.gz MTDYYCPJMMFFNT-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266889166 1082432701 /nfs/dbraw/zinc/43/27/01/1082432701.db2.gz BWSMNQRXMJADSN-UKRRQHHQSA-N 0 3 320.383 2.357 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2CCC2)C1 ZINC001266891459 1082433688 /nfs/dbraw/zinc/43/36/88/1082433688.db2.gz JPZHNEVSLDIZIT-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](O)CNCc1cc(C)ccc1F ZINC001482772701 1082503062 /nfs/dbraw/zinc/50/30/62/1082503062.db2.gz IMUSIFWPSCFHEZ-HNNXBMFYSA-N 0 3 322.424 2.303 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cnn(CC2CCCC2)c1 ZINC001482960855 1082580623 /nfs/dbraw/zinc/58/06/23/1082580623.db2.gz WPRVWTXFZDGHKG-UHFFFAOYSA-N 0 3 316.449 2.148 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(-c2cnco2)c1 ZINC001272145294 1082604699 /nfs/dbraw/zinc/60/46/99/1082604699.db2.gz LKYBTPCAVXIIEZ-UHFFFAOYSA-N 0 3 311.385 2.369 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2cnn(C)c2)C1 ZINC001272215587 1082678109 /nfs/dbraw/zinc/67/81/09/1082678109.db2.gz IASQWFYOLVFUGP-IRXDYDNUSA-N 0 3 316.449 2.199 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C[C@H]1CCCCO1 ZINC001483118338 1082725272 /nfs/dbraw/zinc/72/52/72/1082725272.db2.gz PRPHZVPMRHMOHS-SJLPKXTDSA-N 0 3 314.429 2.092 20 30 DEEDHN Cc1ncc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)s1 ZINC001483213622 1082814083 /nfs/dbraw/zinc/81/40/83/1082814083.db2.gz NDJQDIZDIVKAJL-ZDUSSCGKSA-N 0 3 313.426 2.211 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccsn1 ZINC001409341598 1082832750 /nfs/dbraw/zinc/83/27/50/1082832750.db2.gz BIBRTROLRMBALQ-ZJUUUORDSA-N 0 3 320.443 2.373 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409546387 1082947139 /nfs/dbraw/zinc/94/71/39/1082947139.db2.gz KXDVNKLCNLHFLJ-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CNCc2ccccc2F)nc1 ZINC001483285420 1083073891 /nfs/dbraw/zinc/07/38/91/1083073891.db2.gz ZQHBTLHTJGIIJD-ZDUSSCGKSA-N 0 3 311.360 2.110 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1sccc1C(C)C ZINC001483296552 1083080641 /nfs/dbraw/zinc/08/06/41/1083080641.db2.gz GQDRWEXITBKXSA-ZDUSSCGKSA-N 0 3 308.447 2.229 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001483348833 1083120278 /nfs/dbraw/zinc/12/02/78/1083120278.db2.gz BCOOWBBVYBGPKS-XJKSGUPXSA-N 0 3 302.418 2.348 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001238920990 1083405817 /nfs/dbraw/zinc/40/58/17/1083405817.db2.gz GKLVPXNHIZHSRA-KGLIPLIRSA-N 0 3 308.463 2.438 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2cccnc2)C1 ZINC001107692609 1083600761 /nfs/dbraw/zinc/60/07/61/1083600761.db2.gz PVDNQRLEGOPKFB-MAUKXSAKSA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2cccnc2)C1 ZINC001107692610 1083600951 /nfs/dbraw/zinc/60/09/51/1083600951.db2.gz PVDNQRLEGOPKFB-QAPCUYQASA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)CN(C)CCC ZINC001077664093 1083638506 /nfs/dbraw/zinc/63/85/06/1083638506.db2.gz NESTUYACDBGLSA-HNNXBMFYSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1snnc1C ZINC001277122738 1083786709 /nfs/dbraw/zinc/78/67/09/1083786709.db2.gz ORBHYGHFXXNONC-SECBINFHSA-N 0 3 302.831 2.087 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)COC(C)(C)C)C1 ZINC001277284995 1083893678 /nfs/dbraw/zinc/89/36/78/1083893678.db2.gz MOSLSJHEESTSTG-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@]1(C)CN(CC2CCCC2)CCO1 ZINC001107926242 1083902239 /nfs/dbraw/zinc/90/22/39/1083902239.db2.gz DANFIANXWAOVFZ-SFHVURJKSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@]1(CNC(=O)C#CC2CC2)CN(CC2CCCCC2)CCO1 ZINC001107931855 1083905485 /nfs/dbraw/zinc/90/54/85/1083905485.db2.gz BMNMTNWAQCGJOO-IBGZPJMESA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1c[nH]nc1C)CC2 ZINC001272755019 1083924790 /nfs/dbraw/zinc/92/47/90/1083924790.db2.gz QQJVYJLDPVVJJG-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491003913 1084001346 /nfs/dbraw/zinc/00/13/46/1084001346.db2.gz XYCVMVBGDZHTSO-BHYGNILZSA-N 0 3 316.470 2.274 20 30 DEEDHN N#Cc1cccc(C(=O)CN2CC3(C2)CN(C2CCCC2)C3)c1 ZINC001277506700 1084008749 /nfs/dbraw/zinc/00/87/49/1084008749.db2.gz QKAADFPDBMCCLC-UHFFFAOYSA-N 0 3 309.413 2.301 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001491053767 1084036175 /nfs/dbraw/zinc/03/61/75/1084036175.db2.gz ZGJHKMYMDNSMAH-BFQNTYOBSA-N 0 3 323.462 2.491 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)CCOc2ccccc2)CC1 ZINC001670906605 1084050127 /nfs/dbraw/zinc/05/01/27/1084050127.db2.gz CQYATUPEIRVLKE-MRXNPFEDSA-N 0 3 314.429 2.353 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001491103297 1084073280 /nfs/dbraw/zinc/07/32/80/1084073280.db2.gz SQPOMXBSINEIFF-YOEHRIQHSA-N 0 3 310.401 2.046 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)COCC2CCCC2)C1 ZINC001491110742 1084078343 /nfs/dbraw/zinc/07/83/43/1084078343.db2.gz RSCGEHCIDVFXCD-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001491135150 1084105020 /nfs/dbraw/zinc/10/50/20/1084105020.db2.gz WGTMZMCUVHUDMN-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN COCCCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001277767021 1084137249 /nfs/dbraw/zinc/13/72/49/1084137249.db2.gz OKOBSPYJFBPBJA-HNNXBMFYSA-N 0 3 320.408 2.040 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@@H]1[C@H]1CCN(CC#CC)C1 ZINC001670922210 1084145774 /nfs/dbraw/zinc/14/57/74/1084145774.db2.gz AHWZKXHVNGKFSS-ZWKOTPCHSA-N 0 3 318.461 2.305 20 30 DEEDHN C[C@@H](F)CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSCC#N ZINC001670947242 1084162304 /nfs/dbraw/zinc/16/23/04/1084162304.db2.gz UEFNAWJAQDKWQC-MCIONIFRSA-N 0 3 313.442 2.057 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001277878990 1084200443 /nfs/dbraw/zinc/20/04/43/1084200443.db2.gz FZTZYSJKAPVQQC-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001491279361 1084203019 /nfs/dbraw/zinc/20/30/19/1084203019.db2.gz 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O=C1C=C2CN(Cc3nc4cc(F)ccc4[nH]3)CCC2S1 ZINC001235688684 1084499472 /nfs/dbraw/zinc/49/94/72/1084499472.db2.gz MHANZNRFMVZVDK-ZDUSSCGKSA-N 0 3 303.362 2.476 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001078086053 1084527973 /nfs/dbraw/zinc/52/79/73/1084527973.db2.gz OCAJGGWLSFNDQH-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(Cl)cc(OC)c1 ZINC001277968760 1084530282 /nfs/dbraw/zinc/53/02/82/1084530282.db2.gz MDSSPARONNFPQI-LBPRGKRZSA-N 0 3 308.809 2.422 20 30 DEEDHN C=CCN(CCN1CCN[C@H](c2ccccc2)C1)C(=O)OCC ZINC001235858126 1084550972 /nfs/dbraw/zinc/55/09/72/1084550972.db2.gz DHMXLCZVFPZNAX-KRWDZBQOSA-N 0 3 317.433 2.277 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2CCOCC2)C12CCC2 ZINC001078529826 1084725432 /nfs/dbraw/zinc/72/54/32/1084725432.db2.gz WNLYYCSYJUJTLD-ZIAGYGMSSA-N 0 3 312.841 2.183 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccccn2)C12CCC2 ZINC001078536785 1084729530 /nfs/dbraw/zinc/72/95/30/1084729530.db2.gz 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C12CCC2 ZINC001078616853 1084770206 /nfs/dbraw/zinc/77/02/06/1084770206.db2.gz CBEPOOIOBKRLOM-NWDGAFQWSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2[nH]cnc2C)C12CCC2 ZINC001078796071 1084880197 /nfs/dbraw/zinc/88/01/97/1084880197.db2.gz WMFAZFVPWUIGOQ-KBPBESRZSA-N 0 3 322.840 2.030 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001485853222 1084930242 /nfs/dbraw/zinc/93/02/42/1084930242.db2.gz ISCNTIDCYPERRG-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C(C)=C1CCCC1 ZINC001485860595 1084935807 /nfs/dbraw/zinc/93/58/07/1084935807.db2.gz IGBWWEDKLSDNDF-DZGCQCFKSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CC(C)(C)CC)C1=O ZINC001485877659 1084959585 /nfs/dbraw/zinc/95/95/85/1084959585.db2.gz OOGCPBPYTMVYSO-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cnn(C)c2)CCC1 ZINC001485921258 1084986429 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C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnn(CC)c1 ZINC000960258620 1085169409 /nfs/dbraw/zinc/16/94/09/1085169409.db2.gz LLORKRBSGANJCY-QZTJIDSGSA-N 0 3 324.428 2.465 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC001486356879 1085214726 /nfs/dbraw/zinc/21/47/26/1085214726.db2.gz PWLMFVYMMFSGPM-MRXNPFEDSA-N 0 3 321.465 2.237 20 30 DEEDHN CC(C)COCCN(C)CCN(C(=O)C#CC1CC1)C(C)C ZINC001486368649 1085236573 /nfs/dbraw/zinc/23/65/73/1085236573.db2.gz XCPCVZIPWRYPHY-UHFFFAOYSA-N 0 3 308.466 2.241 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ncc(C)cc1OC)C(C)C ZINC001486369387 1085238147 /nfs/dbraw/zinc/23/81/47/1085238147.db2.gz FUWMQRPTAQYJFA-UHFFFAOYSA-N 0 3 305.422 2.367 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000960444161 1085286896 /nfs/dbraw/zinc/28/68/96/1085286896.db2.gz LUYNWVYAGSVWCQ-QGZVFWFLSA-N 0 3 323.400 2.018 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001486448638 1085319081 /nfs/dbraw/zinc/31/90/81/1085319081.db2.gz 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ZINC001212499438 1085765090 /nfs/dbraw/zinc/76/50/90/1085765090.db2.gz WZPGKEAAVZIOOO-IAGOWNOFSA-N 0 3 317.433 2.094 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3ccccc3C#N)CC2)C1=O ZINC001272990975 1085821152 /nfs/dbraw/zinc/82/11/52/1085821152.db2.gz POBWEINSTJIRET-FQEVSTJZSA-N 0 3 321.424 2.396 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC(O)(C3CCC3)CC2)c1 ZINC001413066899 1085873827 /nfs/dbraw/zinc/87/38/27/1085873827.db2.gz NCRMKLMZAOJXPB-QGZVFWFLSA-N 0 3 300.402 2.219 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000961884475 1085896026 /nfs/dbraw/zinc/89/60/26/1085896026.db2.gz FXCSPKLSQVIBHF-HWWDLCQESA-N 0 3 313.376 2.082 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CCC2)n1 ZINC000962242761 1086034228 /nfs/dbraw/zinc/03/42/28/1086034228.db2.gz IHZBUSBCDDNDLF-NHAGDIPZSA-N 0 3 301.390 2.178 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2sc(C)nc21 ZINC000962281761 1086051047 /nfs/dbraw/zinc/05/10/47/1086051047.db2.gz 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C=CCN1CC[C@]2(CCCN(Cc3ccc(C#N)nc3)CC2)C1=O ZINC001273178117 1087191825 /nfs/dbraw/zinc/19/18/25/1087191825.db2.gz SRCCQRRGXGVECM-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001273178618 1087193555 /nfs/dbraw/zinc/19/35/55/1087193555.db2.gz WLMJBPUXJCZBOY-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CN(C)C(C)C)CCC1 ZINC001064108825 1087549176 /nfs/dbraw/zinc/54/91/76/1087549176.db2.gz CTWMJHFXCFCQFL-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1(NC(=O)CN(C)C(C)C)CCC1 ZINC001064401762 1087591434 /nfs/dbraw/zinc/59/14/34/1087591434.db2.gz JVVGDHRCMGDALI-QGZVFWFLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001090299490 1087644670 /nfs/dbraw/zinc/64/46/70/1087644670.db2.gz YVJPWUQHEDWZQQ-KGLIPLIRSA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001114724354 1088291534 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316.449 2.372 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C)cc1C ZINC001278001695 1138402150 /nfs/dbraw/zinc/40/21/50/1138402150.db2.gz CLOLBKNTVJKCDP-INIZCTEOSA-N 0 3 302.418 2.003 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2c(C)noc2Cl)CC1 ZINC001278079500 1138561795 /nfs/dbraw/zinc/56/17/95/1138561795.db2.gz JFAZSXKDFFGTSY-UHFFFAOYSA-N 0 3 323.824 2.173 20 30 DEEDHN N#Cc1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ccn1 ZINC001237462745 1138641232 /nfs/dbraw/zinc/64/12/32/1138641232.db2.gz KAXYRQMTZJLAIR-MOPGFXCFSA-N 0 3 319.412 2.197 20 30 DEEDHN N#Cc1cc(CN2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)ccn1 ZINC001237466175 1138643403 /nfs/dbraw/zinc/64/34/03/1138643403.db2.gz SBKXCWDEWNUCLO-PHZGNYQRSA-N 0 3 324.428 2.080 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C3(C)CCCC3)C2)CC1 ZINC001278102468 1138646735 /nfs/dbraw/zinc/64/67/35/1138646735.db2.gz RYHBNOWLCPDHIE-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCCCC(=O)NC[C@H](CO)N[C@@H]1CCc2ccc(F)cc21 ZINC001278139829 1138777774 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O=C(/C=C\c1ccc(F)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001292743274 1138863601 /nfs/dbraw/zinc/86/36/01/1138863601.db2.gz BJJFTYRKERLZDG-SBSDFTTDSA-N 0 3 316.376 2.105 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNC(=O)C(C)(C)N1CCCCC1 ZINC001292787381 1138866422 /nfs/dbraw/zinc/86/64/22/1138866422.db2.gz ORDVCLNZOITSFE-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN CCc1cc(CN2CCC3(C[C@@H](O)CO3)CC2)ccc1C#N ZINC001238759902 1138872438 /nfs/dbraw/zinc/87/24/38/1138872438.db2.gz BMKYUQLVDVSAOL-QGZVFWFLSA-N 0 3 300.402 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nc(CC)ncc2Cl)CC1 ZINC001293033973 1138882948 /nfs/dbraw/zinc/88/29/48/1138882948.db2.gz SDMHXLODXPVUNX-UHFFFAOYSA-N 0 3 322.840 2.463 20 30 DEEDHN N#Cc1ccc(CNC23CC(C(=O)N4CC=CC4)(C2)C3)c(F)c1 ZINC001278305023 1139196695 /nfs/dbraw/zinc/19/66/95/1139196695.db2.gz DIGRYWRTCCMLTA-UHFFFAOYSA-N 0 3 311.360 2.108 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001294748877 1139262101 /nfs/dbraw/zinc/26/21/01/1139262101.db2.gz 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ZINC001278404446 1140620146 /nfs/dbraw/zinc/62/01/46/1140620146.db2.gz GFEYQDIUDYKYMP-MRXNPFEDSA-N 0 3 307.825 2.353 20 30 DEEDHN Cc1cc(CN[C@@H](CNC(=O)C#CC2CC2)C(C)C)sn1 ZINC001319910005 1140802209 /nfs/dbraw/zinc/80/22/09/1140802209.db2.gz BPIJRNYIIXQGPX-HNNXBMFYSA-N 0 3 305.447 2.095 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)COc2cccc(Cl)c2)C1 ZINC001278417093 1140818537 /nfs/dbraw/zinc/81/85/37/1140818537.db2.gz SKLJYCYIPHZRFI-DZGCQCFKSA-N 0 3 320.820 2.321 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001320089526 1140820107 /nfs/dbraw/zinc/82/01/07/1140820107.db2.gz DOWYLRSCMFIWAW-ZDUSSCGKSA-N 0 3 306.454 2.107 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CCC[C@@H]1NC(=O)C#CC(C)C ZINC001320130290 1140826296 /nfs/dbraw/zinc/82/62/96/1140826296.db2.gz BWYQAXSJSUBMDA-CABCVRRESA-N 0 3 303.406 2.017 20 30 DEEDHN C[C@@H]1CN(CCCCNc2cccc(CC#N)n2)C[C@@H](C)O1 ZINC001320359647 1140854932 /nfs/dbraw/zinc/85/49/32/1140854932.db2.gz PXVPSCNRKNWHHO-HUUCEWRRSA-N 0 3 302.422 2.449 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@@H]1C[C@H]1C ZINC001320672080 1140892212 /nfs/dbraw/zinc/89/22/12/1140892212.db2.gz IZXSOOANJPJSQO-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN CC[C@H](F)C(=O)N(CC)CCNCc1ccc(OC)c(C#N)c1 ZINC001320820000 1140938732 /nfs/dbraw/zinc/93/87/32/1140938732.db2.gz UWUHYNDLIXBDTE-HNNXBMFYSA-N 0 3 321.396 2.253 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)c2ccccn2)cc1 ZINC001320942071 1141001983 /nfs/dbraw/zinc/00/19/83/1141001983.db2.gz IKJNNYNDOFMKEA-ONEGZZNKSA-N 0 3 306.369 2.029 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001321126772 1141061295 /nfs/dbraw/zinc/06/12/95/1141061295.db2.gz QEXSWGBBRMEPEL-QIAWRQBBSA-N 0 3 302.422 2.061 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001321822172 1141349007 /nfs/dbraw/zinc/34/90/07/1141349007.db2.gz WNQHQCXUMHKQEF-VIBAHUMZSA-N 0 3 314.404 2.318 20 30 DEEDHN CC(C)(C)c1ccc(-c2noc([C@H]3CNCCN3)n2)c(C#N)c1 ZINC001247717726 1141459434 /nfs/dbraw/zinc/45/94/34/1141459434.db2.gz UDUBTROMTQFMMH-CQSZACIVSA-N 0 3 311.389 2.140 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001323525667 1141862518 /nfs/dbraw/zinc/86/25/18/1141862518.db2.gz QBTBYWDEMHHKRG-GHMZBOCLSA-N 0 3 308.834 2.377 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccccc2OC2CCC2)CC1 ZINC001323540235 1141863619 /nfs/dbraw/zinc/86/36/19/1141863619.db2.gz KPXGCWSHACODMZ-UHFFFAOYSA-N 0 3 312.413 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H]1C ZINC001278533665 1142020646 /nfs/dbraw/zinc/02/06/46/1142020646.db2.gz XTDFLFYKPCXOAE-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNCC(=O)N(C)C(C)C ZINC001324168651 1142020796 /nfs/dbraw/zinc/02/07/96/1142020796.db2.gz SRSZXNPPXNCTFH-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(CCOc2ccc(C)cc2)CC1 ZINC001324353863 1142061853 /nfs/dbraw/zinc/06/18/53/1142061853.db2.gz XVPSKMHFKVZDMB-UHFFFAOYSA-N 0 3 314.429 2.320 20 30 DEEDHN C#CCN(C(=O)CC(C)C)C1CCN(CCOCC=C)CC1 ZINC001324364378 1142062510 /nfs/dbraw/zinc/06/25/10/1142062510.db2.gz FLEBWRWDDIJEJE-UHFFFAOYSA-N 0 3 306.450 2.161 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccnc2C(F)F)CC1 ZINC001278615563 1142349579 /nfs/dbraw/zinc/34/95/79/1142349579.db2.gz LFTGCOCDLVQFBF-UHFFFAOYSA-N 0 3 321.371 2.484 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@](O)(CNCC2(C#N)CCCC2)C1 ZINC001251439818 1142434371 /nfs/dbraw/zinc/43/43/71/1142434371.db2.gz PXMIEHMNNJBFTE-KRWDZBQOSA-N 0 3 323.437 2.032 20 30 DEEDHN Cc1ccccc1OC[C@@H](O)CNCc1cc(C#N)cs1 ZINC001251747791 1142502327 /nfs/dbraw/zinc/50/23/27/1142502327.db2.gz AFQDTVLIJCRDSD-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C#CCOC[C@H](O)CN1CCC(c2ccc(F)cc2F)CC1 ZINC001251860451 1142526838 /nfs/dbraw/zinc/52/68/38/1142526838.db2.gz KVCSWMRKEJOWKI-OAHLLOKOSA-N 0 3 309.356 2.155 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001337439053 1142753687 /nfs/dbraw/zinc/75/36/87/1142753687.db2.gz WVNAKMHCXNNYEB-HOCLYGCPSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC[C@H](O)CN1CCCn2cnc(Cn3cccc3)c2C1 ZINC001252597911 1142778171 /nfs/dbraw/zinc/77/81/71/1142778171.db2.gz GNZZDKPUGVIDQI-INIZCTEOSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001252598529 1142781343 /nfs/dbraw/zinc/78/13/43/1142781343.db2.gz OXUBXTIGUSUDEL-PMPSAXMXSA-N 0 3 318.417 2.143 20 30 DEEDHN C=CCC[C@H](O)CNCc1cncn1Cc1ccccc1F ZINC001252622331 1142792582 /nfs/dbraw/zinc/79/25/82/1142792582.db2.gz SEOIUWNXEPNLOM-INIZCTEOSA-N 0 3 303.381 2.487 20 30 DEEDHN N#Cc1cc(Cl)nc(N2CCC(CN3CCOCC3)CC2)c1 ZINC001337732060 1142795259 /nfs/dbraw/zinc/79/52/59/1142795259.db2.gz ADTHTYQQAGQSRX-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1C ZINC001338152450 1142833445 /nfs/dbraw/zinc/83/34/45/1142833445.db2.gz HDOIJPIQEOKFQH-UHFFFAOYSA-N 0 3 305.470 2.348 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC001253241579 1142857045 /nfs/dbraw/zinc/85/70/45/1142857045.db2.gz XSCHEUFQBZLFCE-NVXWUHKLSA-N 0 3 310.438 2.448 20 30 DEEDHN C#Cc1cccc(CNC[C@@](C)(O)C(=O)OCc2ccccc2)c1 ZINC001253652371 1142887658 /nfs/dbraw/zinc/88/76/58/1142887658.db2.gz BMBGYPGFBGMTFA-HXUWFJFHSA-N 0 3 323.392 2.252 20 30 DEEDHN C=CCn1c(-c2cocn2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001338941091 1142894051 /nfs/dbraw/zinc/89/40/51/1142894051.db2.gz HMSVDYUBZYYYCA-UHFFFAOYSA-N 0 3 316.409 2.040 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC(=O)OC)cc1C ZINC001339995691 1143225078 /nfs/dbraw/zinc/22/50/78/1143225078.db2.gz LXACBGGNSKCMQW-CQSZACIVSA-N 0 3 320.389 2.169 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2csc(C)c2)C1 ZINC001278794592 1143254286 /nfs/dbraw/zinc/25/42/86/1143254286.db2.gz FBTVGEGLMSOATK-QGZVFWFLSA-N 0 3 322.474 2.322 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H]2OCCc3cn(CC4CC4)nc32)C1 ZINC001254636917 1143291351 /nfs/dbraw/zinc/29/13/51/1143291351.db2.gz OFUBOFCXGYBZGC-BMFZPTHFSA-N 0 3 300.406 2.189 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001340443794 1143347368 /nfs/dbraw/zinc/34/73/68/1143347368.db2.gz HLRNARZSWKVUAS-VXGBXAGGSA-N 0 3 313.396 2.191 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001340443788 1143347569 /nfs/dbraw/zinc/34/75/69/1143347569.db2.gz HLRNARZSWKVUAS-NEPJUHHUSA-N 0 3 313.396 2.191 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC001340679349 1143397659 /nfs/dbraw/zinc/39/76/59/1143397659.db2.gz LWMPPTWTWVIKPA-AWEZNQCLSA-N 0 3 301.390 2.218 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001340789737 1143442793 /nfs/dbraw/zinc/44/27/93/1143442793.db2.gz ZNEOCPDPTQUNBN-SJORKVTESA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001341347725 1143586725 /nfs/dbraw/zinc/58/67/25/1143586725.db2.gz ZLFTXQQDDFYGMQ-LBPRGKRZSA-N 0 3 305.353 2.333 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC001341582358 1143632430 /nfs/dbraw/zinc/63/24/30/1143632430.db2.gz VRNYWQBHLNIMCK-CABCVRRESA-N 0 3 301.390 2.260 20 30 DEEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC001342732557 1143833241 /nfs/dbraw/zinc/83/32/41/1143833241.db2.gz KYZGTJFJHBJBLZ-JSGCOSHPSA-N 0 3 312.435 2.300 20 30 DEEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC001342732556 1143833431 /nfs/dbraw/zinc/83/34/31/1143833431.db2.gz KYZGTJFJHBJBLZ-GXTWGEPZSA-N 0 3 312.435 2.300 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001280813956 1143862073 /nfs/dbraw/zinc/86/20/73/1143862073.db2.gz KAZJHBTYJMPEPS-HNNXBMFYSA-N 0 3 316.449 2.198 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H]([C@H](C)NCc2cscn2)C1 ZINC001279045442 1143953373 /nfs/dbraw/zinc/95/33/73/1143953373.db2.gz KSLBUSDKIFBHMJ-UONOGXRCSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC001262231014 1144300412 /nfs/dbraw/zinc/30/04/12/1144300412.db2.gz RUDIIZWPSMVNMB-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001263084387 1144354161 /nfs/dbraw/zinc/35/41/61/1144354161.db2.gz RQBCVVXZCDYULZ-OAHLLOKOSA-N 0 3 303.362 2.163 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001263082434 1144354221 /nfs/dbraw/zinc/35/42/21/1144354221.db2.gz HNHNSNWMQRSESO-DZGCQCFKSA-N 0 3 320.433 2.435 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1noc(-c2ccccc2C)n1 ZINC001263117894 1144357335 /nfs/dbraw/zinc/35/73/35/1144357335.db2.gz NZJQRRSWANBFFX-CQSZACIVSA-N 0 3 314.389 2.345 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCc1ccncc1 ZINC001263812726 1144398438 /nfs/dbraw/zinc/39/84/38/1144398438.db2.gz SNNAUQPWOHPOPE-WBVHZDCISA-N 0 3 317.433 2.096 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(CCc2scnc2C)[C@@H]1C ZINC001264139617 1144484361 /nfs/dbraw/zinc/48/43/61/1144484361.db2.gz VTFGSFICUWJJMA-CABCVRRESA-N 0 3 319.474 2.377 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC001264376389 1144518470 /nfs/dbraw/zinc/51/84/70/1144518470.db2.gz HYPFTBKRYQTCRL-WBVHZDCISA-N 0 3 318.465 2.098 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001264400074 1144529614 /nfs/dbraw/zinc/52/96/14/1144529614.db2.gz UPQNSVBQMYDFQT-TXEJJXNPSA-N 0 3 323.462 2.348 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001264428918 1144538452 /nfs/dbraw/zinc/53/84/52/1144538452.db2.gz AJOZNXDXZMBLKA-MXAVVETBSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](F)C(C)C)[C@H]1CC ZINC001264615715 1144577751 /nfs/dbraw/zinc/57/77/51/1144577751.db2.gz BWEHBRSSARQRSY-ZNMIVQPWSA-N 0 3 300.418 2.152 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC001264635563 1144583338 /nfs/dbraw/zinc/58/33/38/1144583338.db2.gz FJBBGPPSIUOCJA-QGZVFWFLSA-N 0 3 306.450 2.204 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001264667562 1144588284 /nfs/dbraw/zinc/58/82/84/1144588284.db2.gz GBOAQHFHXUVJTM-DLBZAZTESA-N 0 3 308.466 2.243 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCCCN(C(=O)CCCC)C1 ZINC001264671647 1144589419 /nfs/dbraw/zinc/58/94/19/1144589419.db2.gz XDEGDZCRRAUIET-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCCC[C@@H](NCC(=C)Cl)C1 ZINC001264675276 1144590710 /nfs/dbraw/zinc/59/07/10/1144590710.db2.gz BWLFGCUIUSYAEO-HUUCEWRRSA-N 0 3 312.841 2.138 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)C(F)(F)F)CC(C)(C)C1 ZINC001264753690 1144606511 /nfs/dbraw/zinc/60/65/11/1144606511.db2.gz MPQUDMUCUKPFKG-NWDGAFQWSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccnn1C ZINC001265079047 1144639114 /nfs/dbraw/zinc/63/91/14/1144639114.db2.gz DPIOOPFGZGBUPM-ZBFHGGJFSA-N 0 3 304.438 2.246 20 30 DEEDHN COCC#CCN(CCCNC(=O)c1cccc(C)c1)C1CC1 ZINC001265151941 1144655716 /nfs/dbraw/zinc/65/57/16/1144655716.db2.gz MMQTWQLUKNMDAO-UHFFFAOYSA-N 0 3 314.429 2.229 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(-c2c[nH]cn2)cc1)C1CC1 ZINC001265180571 1144661760 /nfs/dbraw/zinc/66/17/60/1144661760.db2.gz WVUSMXGDHUCJSP-UHFFFAOYSA-N 0 3 322.412 2.294 20 30 DEEDHN CC#CCN(CCCNC(=O)CCc1c(C)noc1C)C1CC1 ZINC001265182604 1144662582 /nfs/dbraw/zinc/66/25/82/1144662582.db2.gz IYDXPQCNEHASSG-UHFFFAOYSA-N 0 3 317.433 2.218 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001265197281 1144664558 /nfs/dbraw/zinc/66/45/58/1144664558.db2.gz KWWMZUWQJMSEQM-GOSISDBHSA-N 0 3 318.465 2.408 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001265213697 1144668502 /nfs/dbraw/zinc/66/85/02/1144668502.db2.gz XBCZCKKMPOVGDY-SJLPKXTDSA-N 0 3 306.450 2.395 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCc2ccccc2OC)C1 ZINC001265233261 1144673174 /nfs/dbraw/zinc/67/31/74/1144673174.db2.gz PTGODGMQZSXORG-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001265332714 1144695229 /nfs/dbraw/zinc/69/52/29/1144695229.db2.gz ZIPLQJMLGZBYQZ-SJORKVTESA-N 0 3 318.461 2.209 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001265386742 1144701017 /nfs/dbraw/zinc/70/10/17/1144701017.db2.gz LXHKWPUJIBNYJO-IEBWSBKVSA-N 0 3 323.440 2.368 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC001265386880 1144701061 /nfs/dbraw/zinc/70/10/61/1144701061.db2.gz OIKYIQWITRYVLL-ZDUSSCGKSA-N 0 3 322.371 2.312 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cnc(C)s2)C1 ZINC001265424271 1144703388 /nfs/dbraw/zinc/70/33/88/1144703388.db2.gz NMWDAZSGUXKSIP-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001265654273 1144723319 /nfs/dbraw/zinc/72/33/19/1144723319.db2.gz QOOMELFPOSCCEZ-OAHLLOKOSA-N 0 3 304.438 2.163 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001265679433 1144726818 /nfs/dbraw/zinc/72/68/18/1144726818.db2.gz DGVDBJDKVNMIKG-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1cn(C)nc1C(F)F ZINC001265808571 1144742788 /nfs/dbraw/zinc/74/27/88/1144742788.db2.gz GWDHCCFUDBZKAL-JTQLQIEISA-N 0 3 314.380 2.164 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001265816152 1144743462 /nfs/dbraw/zinc/74/34/62/1144743462.db2.gz PUNONNPCOZTNDN-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NCc1cccc(F)c1 ZINC001265827625 1144745163 /nfs/dbraw/zinc/74/51/63/1144745163.db2.gz UFNMSIJBPKNICS-WQVCFCJDSA-N 0 3 306.381 2.011 20 30 DEEDHN Cc1nc(CNC[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)cs1 ZINC001265975602 1144773915 /nfs/dbraw/zinc/77/39/15/1144773915.db2.gz CTIWBYHAVSYAOE-CQSZACIVSA-N 0 3 319.474 2.439 20 30 DEEDHN CCN(CCCNC(=O)CC(C)(C)O)Cc1ccc(C#N)s1 ZINC001266038265 1144797343 /nfs/dbraw/zinc/79/73/43/1144797343.db2.gz MLIXABMDWSBAKT-UHFFFAOYSA-N 0 3 323.462 2.109 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2OC)C1 ZINC001266117690 1144807322 /nfs/dbraw/zinc/80/73/22/1144807322.db2.gz YLMZRUGWNBAZHW-HNNXBMFYSA-N 0 3 300.402 2.255 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CCCOCC)C2)cc1 ZINC001266233634 1144816968 /nfs/dbraw/zinc/81/69/68/1144816968.db2.gz OFBIADJRBSXWFE-SFHVURJKSA-N 0 3 314.429 2.289 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001266236279 1144817676 /nfs/dbraw/zinc/81/76/76/1144817676.db2.gz GGBZJHAVXLNOQX-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](CC(C)C)OC)CC2)CC1 ZINC001279368232 1144821427 /nfs/dbraw/zinc/82/14/27/1144821427.db2.gz KULFRYPNNWFFKV-KRWDZBQOSA-N 0 3 320.477 2.432 20 30 DEEDHN CCC(CC)[C@H](C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@H]2C1 ZINC001279381291 1144821579 /nfs/dbraw/zinc/82/15/79/1144821579.db2.gz ZOFVPGLEVGWTNI-RYQLBKOJSA-N 0 3 320.477 2.099 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(N(CC)CC)cc2)CCC1 ZINC001280533813 1144844296 /nfs/dbraw/zinc/84/42/96/1144844296.db2.gz IWMDEATVUSUGFK-UHFFFAOYSA-N 0 3 313.445 2.408 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(Cc2scnc2C)CC1 ZINC001280710819 1144850298 /nfs/dbraw/zinc/85/02/98/1144850298.db2.gz SHLQRLUPZBXAOE-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)c1cccc(OC)c1 ZINC001280882974 1144861229 /nfs/dbraw/zinc/86/12/29/1144861229.db2.gz BAWAKWFCNVBLMU-OAHLLOKOSA-N 0 3 302.418 2.212 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001281163431 1144875282 /nfs/dbraw/zinc/87/52/82/1144875282.db2.gz OCKBKMMLWPFOQY-MAUKXSAKSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCCC(=O)NC1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001281348557 1144884299 /nfs/dbraw/zinc/88/42/99/1144884299.db2.gz HIIXXIQQRYCORE-DQPZFDDXSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001316610347 1144885557 /nfs/dbraw/zinc/88/55/57/1144885557.db2.gz IKBSLKANAHSUEY-UKRRQHHQSA-N 0 3 319.453 2.107 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1[nH]nc2ccccc21 ZINC001316611189 1144891635 /nfs/dbraw/zinc/89/16/35/1144891635.db2.gz OAUZJLRQVCYTSJ-CQSZACIVSA-N 0 3 312.417 2.214 20 30 DEEDHN C[C@@H](C(=O)NCCCCCN1CCN(CC#N)CC1)C(C)(C)C ZINC001281788502 1144913959 /nfs/dbraw/zinc/91/39/59/1144913959.db2.gz JGCSTKWKNKUZCH-INIZCTEOSA-N 0 3 322.497 2.096 20 30 DEEDHN CCCCCN1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001281782539 1144914169 /nfs/dbraw/zinc/91/41/69/1144914169.db2.gz MYYUQLQKZLTMAT-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@H](C)C(=O)N(C)C(C)C ZINC001281852597 1144916551 /nfs/dbraw/zinc/91/65/51/1144916551.db2.gz 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CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001283987231 1145738465 /nfs/dbraw/zinc/73/84/65/1145738465.db2.gz XFZDJZZUSDTASZ-UKRRQHHQSA-N 0 3 323.396 2.156 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](OC)C3CCCC3)CCC[C@H]12 ZINC001284071837 1145784445 /nfs/dbraw/zinc/78/44/45/1145784445.db2.gz NPBBHMMFVRIBLK-JENIJYKNSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CCCN(CCO)[C@@H]2C)CCCCC1 ZINC001284132616 1145805633 /nfs/dbraw/zinc/80/56/33/1145805633.db2.gz QNHDFCPYKIJZBG-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)C2CCCCCC2)CC1(C)C ZINC001284261980 1145827881 /nfs/dbraw/zinc/82/78/81/1145827881.db2.gz ZYAMTGPKSFQICF-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC1(C)CN(C(=O)C(F)F)C[C@H]1NCC#Cc1ccccc1 ZINC001284263460 1145828493 /nfs/dbraw/zinc/82/84/93/1145828493.db2.gz SMDCSUTXRBBDNB-CQSZACIVSA-N 0 3 306.356 2.130 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)CC1(C)C ZINC001284292785 1145831321 /nfs/dbraw/zinc/83/13/21/1145831321.db2.gz 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C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCn2cccc2)C1 ZINC001317206353 1147676401 /nfs/dbraw/zinc/67/64/01/1147676401.db2.gz SBTXTOFVIAILFG-SJORKVTESA-N 0 3 301.434 2.118 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)[C@@H]1CC12CC2 ZINC001367383020 1147687056 /nfs/dbraw/zinc/68/70/56/1147687056.db2.gz DDRNQJUPLWGVFD-WFASDCNBSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001317452398 1147711165 /nfs/dbraw/zinc/71/11/65/1147711165.db2.gz HUNLPYBEHYYFKI-UHFFFAOYSA-N 0 3 304.419 2.376 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cn(C(C)(C)C)nc1C ZINC001317541006 1147722612 /nfs/dbraw/zinc/72/26/12/1147722612.db2.gz SSXGEWJOHLGJAR-UHFFFAOYSA-N 0 3 304.438 2.022 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(F)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001367665986 1147723932 /nfs/dbraw/zinc/72/39/32/1147723932.db2.gz JOMBHTIFWZOLEP-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001367723623 1147733045 /nfs/dbraw/zinc/73/30/45/1147733045.db2.gz UORBGDFJOLJERC-QWRGUYRKSA-N 0 3 309.410 2.043 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2scnc2C)cc1 ZINC001317615957 1147733265 /nfs/dbraw/zinc/73/32/65/1147733265.db2.gz PHVQEPRDWGPXFT-UHFFFAOYSA-N 0 3 313.426 2.295 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CC12CC2 ZINC001317627490 1147735214 /nfs/dbraw/zinc/73/52/14/1147735214.db2.gz XYAUIPLBQCGAAX-AWEZNQCLSA-N 0 3 301.365 2.045 20 30 DEEDHN COCCC(C)(C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001317647591 1147738323 /nfs/dbraw/zinc/73/83/23/1147738323.db2.gz XPCNDMYVPWHMPJ-UHFFFAOYSA-N 0 3 317.433 2.169 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1ccnnc1C)c1ccccc1 ZINC001317720490 1147747126 /nfs/dbraw/zinc/74/71/26/1147747126.db2.gz GCUOZYWUAYXHCB-QGZVFWFLSA-N 0 3 310.401 2.422 20 30 DEEDHN CC(C)(F)C(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001367874510 1147764223 /nfs/dbraw/zinc/76/42/23/1147764223.db2.gz DNUDZSZLENZOJW-HNNXBMFYSA-N 0 3 321.371 2.430 20 30 DEEDHN CCCOc1cccc(CNC2(CNC(=O)[C@@H](C)C#N)CC2)c1 ZINC001367988408 1147819026 /nfs/dbraw/zinc/81/90/26/1147819026.db2.gz CYOIASJJJZVISA-AWEZNQCLSA-N 0 3 315.417 2.373 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCN(CCCc2nc(C)no2)C1 ZINC001318406982 1147822578 /nfs/dbraw/zinc/82/25/78/1147822578.db2.gz LUBXVNNLLLHZGX-OAHLLOKOSA-N 0 3 320.437 2.200 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ncoc2C2CC2)CC1 ZINC001324896829 1147856593 /nfs/dbraw/zinc/85/65/93/1147856593.db2.gz AZUJUQJKWAXCRA-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001324927041 1147858887 /nfs/dbraw/zinc/85/88/87/1147858887.db2.gz MMFKYJOEZSLLFU-SJLPKXTDSA-N 0 3 301.434 2.291 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCCOC(C)C)C1 ZINC001324982720 1147864370 /nfs/dbraw/zinc/86/43/70/1147864370.db2.gz AZYIWPTZSMELFH-GOSISDBHSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccccc2CC(C)C)C1 ZINC001325161845 1147881736 /nfs/dbraw/zinc/88/17/36/1147881736.db2.gz QYZDNYUQRXQEHR-LJQANCHMSA-N 0 3 316.445 2.238 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)[C@@H](CNCc2ncc(Cl)n2C)C1 ZINC001325491309 1147927539 /nfs/dbraw/zinc/92/75/39/1147927539.db2.gz BZIXVZINWJHAGN-STQMWFEESA-N 0 3 324.856 2.224 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC001326209777 1148058006 /nfs/dbraw/zinc/05/80/06/1148058006.db2.gz ZDUZYYGBBFBJIQ-UONOGXRCSA-N 0 3 300.830 2.136 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H](C)CCC=C(C)C)CCO1 ZINC001327037386 1148314585 /nfs/dbraw/zinc/31/45/85/1148314585.db2.gz YKCYIYDQYHKHES-DLBZAZTESA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC001327053168 1148317411 /nfs/dbraw/zinc/31/74/11/1148317411.db2.gz OUNJMVDPHJRXKO-ROUUACIJSA-N 0 3 302.418 2.169 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2cccnc2C)CC1 ZINC001327111020 1148328553 /nfs/dbraw/zinc/32/85/53/1148328553.db2.gz NAOKHNQIRGLULD-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC001327155054 1148339071 /nfs/dbraw/zinc/33/90/71/1148339071.db2.gz BRYNTIAKELLWSQ-SJLPKXTDSA-N 0 3 314.429 2.196 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000424088312 230595055 /nfs/dbraw/zinc/59/50/55/230595055.db2.gz GTQOFQSRGOUSTH-HZPDHXFCSA-N 0 3 317.389 2.204 20 30 DEEDHN CN1CCC(N(Cc2ccco2)C(=O)NCCCC#N)CC1 ZINC000612380109 361808909 /nfs/dbraw/zinc/80/89/09/361808909.db2.gz DSZHNHWVGAXXKD-UHFFFAOYSA-N 0 3 304.394 2.189 20 30 DEEDHN CN(CC#CCN1C(=O)c2ccccc2C1=O)CC1CCCC1 ZINC000625116858 365649335 /nfs/dbraw/zinc/64/93/35/365649335.db2.gz JMBGNTBRRCIHOI-UHFFFAOYSA-N 0 3 310.397 2.408 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000079215908 185161516 /nfs/dbraw/zinc/16/15/16/185161516.db2.gz OIPVZTNAUZGVPO-MRXNPFEDSA-N 0 3 322.497 2.048 20 30 DEEDHN CN(C)[C@@H](CNC(=O)NCCCCC#N)Cc1ccccc1 ZINC000351888540 282175596 /nfs/dbraw/zinc/17/55/96/282175596.db2.gz IPGCFVZMQXJUKO-MRXNPFEDSA-N 0 3 302.422 2.152 20 30 DEEDHN CN1CCN(CCCNc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411449 362103432 /nfs/dbraw/zinc/10/34/32/362103432.db2.gz VVPVSKFEEKNEAD-UHFFFAOYSA-N 0 3 315.465 2.300 20 30 DEEDHN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000272808014 210208390 /nfs/dbraw/zinc/20/83/90/210208390.db2.gz VRTDMHDCZJDRCR-KGLIPLIRSA-N 0 3 313.401 2.092 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](Oc2ccccc2)C1 ZINC000371440171 529867034 /nfs/dbraw/zinc/86/70/34/529867034.db2.gz PKACQWKSSYUYMJ-KRWDZBQOSA-N 0 3 315.417 2.292 20 30 DEEDHN COC(=O)Cc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000614611564 362420488 /nfs/dbraw/zinc/42/04/88/362420488.db2.gz NHBXTRYQOLWBGD-OAHLLOKOSA-N 0 3 323.352 2.299 20 30 DEEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCCC#N)CC1 ZINC000331131630 530049610 /nfs/dbraw/zinc/04/96/10/530049610.db2.gz GUPBHFLCCMOSGR-UHFFFAOYSA-N 0 3 300.406 2.410 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC000294906001 530057932 /nfs/dbraw/zinc/05/79/32/530057932.db2.gz HZXIBVNPHBQCME-GFCCVEGCSA-N 0 3 322.206 2.145 20 30 DEEDHN C=CCC1(C(=O)N2CC(CN3CCN(C)CC3)C2)CCCCC1 ZINC000615278241 362574420 /nfs/dbraw/zinc/57/44/20/362574420.db2.gz AVUMZFBQIQLFQR-UHFFFAOYSA-N 0 3 319.493 2.219 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)CCN1C ZINC000330916943 232160861 /nfs/dbraw/zinc/16/08/61/232160861.db2.gz VRNJJTNNIHRDPH-TZMCWYRMSA-N 0 3 303.431 2.249 20 30 DEEDHN Cc1ccc([C@@H](CNC(=O)C2(C#N)CCOCC2)N(C)C)cc1 ZINC000109142091 185554500 /nfs/dbraw/zinc/55/45/00/185554500.db2.gz MGNGAXUSCGVNEJ-MRXNPFEDSA-N 0 3 315.417 2.034 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1csnn1 ZINC000413994650 404468373 /nfs/dbraw/zinc/46/83/73/404468373.db2.gz RSTPDYGETWWPCF-WCQYABFASA-N 0 3 300.387 2.488 20 30 DEEDHN N#C[C@@]1(F)CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000615665376 362675109 /nfs/dbraw/zinc/67/51/09/362675109.db2.gz ZTOPYRFCIQKEEP-SFHVURJKSA-N 0 3 315.392 2.363 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2OCC#N)C1 ZINC000164126443 186149195 /nfs/dbraw/zinc/14/91/95/186149195.db2.gz VUUTZXRKHCMJHF-GDBMZVCRSA-N 0 3 313.401 2.145 20 30 DEEDHN C[C@H]1CSCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000617079292 363017363 /nfs/dbraw/zinc/01/73/63/363017363.db2.gz XOVDFVAGUGALFT-GDBMZVCRSA-N 0 3 320.458 2.177 20 30 DEEDHN CCC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000329244123 539916186 /nfs/dbraw/zinc/91/61/86/539916186.db2.gz UGFUXKGUZIVLKL-LSDHHAIUSA-N 0 3 309.454 2.466 20 30 DEEDHN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)o1 ZINC000329291546 539916866 /nfs/dbraw/zinc/91/68/66/539916866.db2.gz QWLGXKQMKQVCMV-MJBXVCDLSA-N 0 3 306.410 2.374 20 30 DEEDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cnc2nccnc2c1 ZINC000329933813 539932182 /nfs/dbraw/zinc/93/21/82/539932182.db2.gz BSPADNZNHLFOKE-CQSZACIVSA-N 0 3 311.389 2.346 20 30 DEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173666285 198237759 /nfs/dbraw/zinc/23/77/59/198237759.db2.gz NHBIAZMPJIXFQG-HNNXBMFYSA-N 0 3 321.446 2.053 20 30 DEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173666271 198238526 /nfs/dbraw/zinc/23/85/26/198238526.db2.gz NHBIAZMPJIXFQG-OAHLLOKOSA-N 0 3 321.446 2.053 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000027747897 354095961 /nfs/dbraw/zinc/09/59/61/354095961.db2.gz SNLSKMKIQFDPEP-HUUCEWRRSA-N 0 3 315.417 2.316 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)ccc1C#N ZINC000028840353 354103809 /nfs/dbraw/zinc/10/38/09/354103809.db2.gz QQMASUJOMOCFHR-KRWDZBQOSA-N 0 3 322.412 2.164 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc(NC(N)=O)cc2)nc(C)n1 ZINC000041561310 354175044 /nfs/dbraw/zinc/17/50/44/354175044.db2.gz NGXAHCWVWQDMLC-CYBMUJFWSA-N 0 3 309.329 2.074 20 30 DEEDHN C=CCCOCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617978326 363337092 /nfs/dbraw/zinc/33/70/92/363337092.db2.gz YUXGFIKMQDBEKT-UHFFFAOYSA-N 0 3 317.433 2.003 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCCC[C@@H]1C ZINC000032732484 354153786 /nfs/dbraw/zinc/15/37/86/354153786.db2.gz NYETZGYZAJNWQA-GJZGRUSLSA-N 0 3 315.417 2.316 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043239359 354216983 /nfs/dbraw/zinc/21/69/83/354216983.db2.gz QDGLANMPQZOANT-HOCLYGCPSA-N 0 3 300.406 2.062 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000048714651 354355072 /nfs/dbraw/zinc/35/50/72/354355072.db2.gz LVPZUEBZJUPIDA-UHFFFAOYSA-N 0 3 315.398 2.220 20 30 DEEDHN N#CCOc1cccc(NC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000048516874 354353688 /nfs/dbraw/zinc/35/36/88/354353688.db2.gz WIEZOSNMMOTYRN-UHFFFAOYSA-N 0 3 314.389 2.337 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000424087889 283052022 /nfs/dbraw/zinc/05/20/22/283052022.db2.gz SHFVVZWWCKGWTE-CABCVRRESA-N 0 3 303.431 2.324 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](COCC)C2)CC1 ZINC000073059390 354939952 /nfs/dbraw/zinc/93/99/52/354939952.db2.gz PNCIRJRWQUOPFO-INIZCTEOSA-N 0 3 323.481 2.485 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CNc2cccc(F)c2)CC1 ZINC000073436933 354959111 /nfs/dbraw/zinc/95/91/11/354959111.db2.gz UBMWLOOEOKTLNE-UHFFFAOYSA-N 0 3 305.397 2.394 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000074491225 355032370 /nfs/dbraw/zinc/03/23/70/355032370.db2.gz LDEDVDPKVLBCRH-INIZCTEOSA-N 0 3 300.406 2.184 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000595591180 358494252 /nfs/dbraw/zinc/49/42/52/358494252.db2.gz KCARMQDDNWPIQC-GOEBONIOSA-N 0 3 304.438 2.339 20 30 DEEDHN C=C(Cl)CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000077790254 355228934 /nfs/dbraw/zinc/22/89/34/355228934.db2.gz JVQWBFHJRIKZLI-UHFFFAOYSA-N 0 3 311.813 2.179 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000410589359 283093957 /nfs/dbraw/zinc/09/39/57/283093957.db2.gz LPGWPUCJVJHVLE-HDMKZQKVSA-N 0 3 301.434 2.403 20 30 DEEDHN COc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000390876494 540135226 /nfs/dbraw/zinc/13/52/26/540135226.db2.gz BWIAHYMGMWEAQZ-INIZCTEOSA-N 0 3 312.369 2.096 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)C2(C#N)CCCC2)C[C@H](C)O1 ZINC000083042095 355462496 /nfs/dbraw/zinc/46/24/96/355462496.db2.gz MHLJUKAIPGTFEI-GASCZTMLSA-N 0 3 307.438 2.076 20 30 DEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000107581142 355728190 /nfs/dbraw/zinc/72/81/90/355728190.db2.gz SIYNPKFCGMFSHE-HNNXBMFYSA-N 0 3 300.406 2.338 20 30 DEEDHN COCCO[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000179342248 356021940 /nfs/dbraw/zinc/02/19/40/356021940.db2.gz DRDBYXBHFFLUAB-KRWDZBQOSA-N 0 3 304.390 2.064 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000182852752 356149679 /nfs/dbraw/zinc/14/96/79/356149679.db2.gz CENLNDRQPJQRHV-HOTGVXAUSA-N 0 3 314.433 2.452 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCC(=O)N2)c(C(F)(F)F)c1 ZINC000352891568 283146445 /nfs/dbraw/zinc/14/64/45/283146445.db2.gz KONJQAUOAVCXDQ-GFCCVEGCSA-N 0 3 311.307 2.335 20 30 DEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290691068 356379118 /nfs/dbraw/zinc/37/91/18/356379118.db2.gz WBPVDBYPAYBZHM-BJOHPYRUSA-N 0 3 324.340 2.326 20 30 DEEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000595620372 358503824 /nfs/dbraw/zinc/50/38/24/358503824.db2.gz MPYZHSVSOIRJSD-GFCCVEGCSA-N 0 3 304.369 2.362 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2cccc(F)c2)cc1 ZINC000314605300 356417750 /nfs/dbraw/zinc/41/77/50/356417750.db2.gz TZHZXNFFCVDLFI-INIZCTEOSA-N 0 3 300.333 2.227 20 30 DEEDHN N#CC[C@@H]1CCCN(CCOCCN2CCC[C@@H](CC#N)C2)C1 ZINC000595620392 358504394 /nfs/dbraw/zinc/50/43/94/358504394.db2.gz NBECQWXKIXTPJG-ROUUACIJSA-N 0 3 318.465 2.254 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCCOC2CCCCC2)cc1 ZINC000320433521 356445013 /nfs/dbraw/zinc/44/50/13/356445013.db2.gz LGJXUEWOKBOCMN-MRXNPFEDSA-N 0 3 318.417 2.237 20 30 DEEDHN N#Cc1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000292780425 283179239 /nfs/dbraw/zinc/17/92/39/283179239.db2.gz LTKCOZBIQKJVFS-LJQANCHMSA-N 0 3 307.397 2.389 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000351124965 356618228 /nfs/dbraw/zinc/61/82/28/356618228.db2.gz XLTFRUNCROFCMX-SJKOYZFVSA-N 0 3 312.373 2.478 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2cccs2)cc1F ZINC000404186734 356732794 /nfs/dbraw/zinc/73/27/94/356732794.db2.gz JTKWWYZFQBZLRR-AWEZNQCLSA-N 0 3 320.389 2.426 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)C(C)C ZINC000531171436 356744911 /nfs/dbraw/zinc/74/49/11/356744911.db2.gz WCKXRIFHXMVYEI-NVXWUHKLSA-N 0 3 318.465 2.338 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000595656449 358513113 /nfs/dbraw/zinc/51/31/13/358513113.db2.gz RVTIDDCSEFEGLN-ARFHVFGLSA-N 0 3 304.438 2.339 20 30 DEEDHN COc1cc(F)cc2sc(NC(=O)[C@H](N)CCCC#N)nc21 ZINC000579823153 357036719 /nfs/dbraw/zinc/03/67/19/357036719.db2.gz WJUSTQPQZPEGDQ-SECBINFHSA-N 0 3 322.365 2.404 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC2(CC#N)CC2)C[C@@H](C)C1 ZINC000580750406 357073592 /nfs/dbraw/zinc/07/35/92/357073592.db2.gz HBNJBHMGAKUWQG-ZNMIVQPWSA-N 0 3 304.438 2.052 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000585718467 357348402 /nfs/dbraw/zinc/34/84/02/357348402.db2.gz HRJLAEHKTKTARK-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCCS(=O)(=O)C1 ZINC000588231342 357402734 /nfs/dbraw/zinc/40/27/34/357402734.db2.gz DSENGIKJZCJCJY-WMLDXEAASA-N 0 3 318.442 2.350 20 30 DEEDHN CN(CCCNC(=O)c1cccc(C#N)n1)Cc1ccccc1 ZINC000589258360 357459121 /nfs/dbraw/zinc/45/91/21/357459121.db2.gz XJFJMZQJVDRBHE-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN C[C@H](CNC(=O)c1cccc(C#N)n1)N(C)Cc1ccccc1 ZINC000589408846 357467860 /nfs/dbraw/zinc/46/78/60/357467860.db2.gz GGQKBVXPLUQNHB-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)c1cccc(C#N)n1 ZINC000589444271 357469895 /nfs/dbraw/zinc/46/98/95/357469895.db2.gz AYIAJNHNVYRZPN-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000589449745 357470867 /nfs/dbraw/zinc/47/08/67/357470867.db2.gz TUVKQLBVVXSTIZ-WMLDXEAASA-N 0 3 320.396 2.346 20 30 DEEDHN N#C[C@]1(C(=O)N2CCN(c3ccncc3)CC2)CC12CCCC2 ZINC000590617218 357568126 /nfs/dbraw/zinc/56/81/26/357568126.db2.gz DLOIRYBVSVQFQN-SFHVURJKSA-N 0 3 310.401 2.204 20 30 DEEDHN COc1ccc(CN2CC[C@@H](O)[C@H]2C)cc1OCCCC#N ZINC000590661437 357575015 /nfs/dbraw/zinc/57/50/15/357575015.db2.gz NTLDZIHQLCNQOK-UKRRQHHQSA-N 0 3 304.390 2.333 20 30 DEEDHN C[C@](CO)(NCCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000590161667 357523251 /nfs/dbraw/zinc/52/32/51/357523251.db2.gz DPUUFHCSFWYJGO-CQSZACIVSA-N 0 3 316.323 2.433 20 30 DEEDHN Cc1cc(C#N)ccc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000590210238 357526459 /nfs/dbraw/zinc/52/64/59/357526459.db2.gz FMTCSVRBEZCPHK-QZTJIDSGSA-N 0 3 300.402 2.276 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccnc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000590965544 357654136 /nfs/dbraw/zinc/65/41/36/357654136.db2.gz MMPRTSSJHUCTLN-QZTJIDSGSA-N 0 3 321.380 2.342 20 30 DEEDHN C=CCOCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000591131517 357678475 /nfs/dbraw/zinc/67/84/75/357678475.db2.gz ZRQHKBVWNXMSSG-UHFFFAOYSA-N 0 3 302.418 2.232 20 30 DEEDHN C[C@@](CO)(NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000591014011 357660741 /nfs/dbraw/zinc/66/07/41/357660741.db2.gz MXMTWEBNILQSFR-IBGZPJMESA-N 0 3 323.396 2.384 20 30 DEEDHN N#CC1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000591357575 357712593 /nfs/dbraw/zinc/71/25/93/357712593.db2.gz XQRGJTBXAZTEJY-MRXNPFEDSA-N 0 3 308.385 2.443 20 30 DEEDHN CCS(=O)(=O)CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591257224 357696012 /nfs/dbraw/zinc/69/60/12/357696012.db2.gz IGKXGMPGDUQWOG-INIZCTEOSA-N 0 3 306.431 2.350 20 30 DEEDHN Cc1ccc(CN2CC[C@@](O)(CC#N)C2)c(-c2cnn(C)c2)c1 ZINC000592522302 357893432 /nfs/dbraw/zinc/89/34/32/357893432.db2.gz LEBIKJZSAFVMDM-SFHVURJKSA-N 0 3 310.401 2.246 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nn2c(nc(C)cc2=O)s1 ZINC000662083073 540327141 /nfs/dbraw/zinc/32/71/41/540327141.db2.gz ZOAMFUHDJWMNMU-TXEJJXNPSA-N 0 3 302.403 2.142 20 30 DEEDHN CN(CCN1CCCCC1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000593113574 358013911 /nfs/dbraw/zinc/01/39/11/358013911.db2.gz PLKHLANRZXEADJ-UHFFFAOYSA-N 0 3 320.481 2.089 20 30 DEEDHN C=CCN(C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@H](C)COC ZINC000665271870 540349357 /nfs/dbraw/zinc/34/93/57/540349357.db2.gz UBQLYKFOHNUCHT-BZUAXINKSA-N 0 3 309.454 2.236 20 30 DEEDHN CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1cccc(OC)c1 ZINC000593411421 358072189 /nfs/dbraw/zinc/07/21/89/358072189.db2.gz INYUKLCKLAWISU-WFASDCNBSA-N 0 3 318.373 2.355 20 30 DEEDHN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C(C#N)CC ZINC000593442804 358079567 /nfs/dbraw/zinc/07/95/67/358079567.db2.gz GJRJNOWZRPYLEQ-ZDUSSCGKSA-N 0 3 306.337 2.267 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000593456511 358082739 /nfs/dbraw/zinc/08/27/39/358082739.db2.gz CMYPNDDURPBDLK-IRXDYDNUSA-N 0 3 314.433 2.444 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000593906299 358168736 /nfs/dbraw/zinc/16/87/36/358168736.db2.gz UADXWYKITQIXDB-GFCCVEGCSA-N 0 3 322.368 2.005 20 30 DEEDHN C[C@@H](O)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000594065552 358200159 /nfs/dbraw/zinc/20/01/59/358200159.db2.gz SHZNBLTXKUYURE-CYBMUJFWSA-N 0 3 310.401 2.304 20 30 DEEDHN CC(C)n1cc(CNC(=O)C(C#N)CCc2ccccc2)nn1 ZINC000594361755 358248743 /nfs/dbraw/zinc/24/87/43/358248743.db2.gz QMCGCELZWPUEDT-OAHLLOKOSA-N 0 3 311.389 2.248 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594196639 358221821 /nfs/dbraw/zinc/22/18/21/358221821.db2.gz LGZBDDJSYCFREQ-SJORKVTESA-N 0 3 315.392 2.373 20 30 DEEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1NC(C)=O ZINC000594429105 358267546 /nfs/dbraw/zinc/26/75/46/358267546.db2.gz QULWTKINSPBBSE-CYBMUJFWSA-N 0 3 318.377 2.003 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000594440341 358271367 /nfs/dbraw/zinc/27/13/67/358271367.db2.gz XYVXKHYOYKFDBV-GJZGRUSLSA-N 0 3 301.390 2.428 20 30 DEEDHN N#Cc1nccc(N[C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000594552117 358292508 /nfs/dbraw/zinc/29/25/08/358292508.db2.gz YXPRYCXOXGQDGQ-MRXNPFEDSA-N 0 3 307.401 2.409 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618811513 363608865 /nfs/dbraw/zinc/60/88/65/363608865.db2.gz WWAXEWVBMOKXTR-SFHVURJKSA-N 0 3 324.428 2.495 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000618815109 363609982 /nfs/dbraw/zinc/60/99/82/363609982.db2.gz VIJUZHIBRAMJJS-WMLDXEAASA-N 0 3 310.401 2.081 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CN1C1CC1 ZINC000618822195 363612109 /nfs/dbraw/zinc/61/21/09/363612109.db2.gz VCQISAMLFWHAFN-MRAWALMUSA-N 0 3 324.428 2.470 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000596550855 358711501 /nfs/dbraw/zinc/71/15/01/358711501.db2.gz OEBAYEVGIPKQKK-WBVHZDCISA-N 0 3 314.433 2.104 20 30 DEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCCCC#N)C1 ZINC000596556230 358712001 /nfs/dbraw/zinc/71/20/01/358712001.db2.gz WOJGLZAVVLCNQA-QGZVFWFLSA-N 0 3 314.433 2.249 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)[C@H]2C1 ZINC000618854323 363617287 /nfs/dbraw/zinc/61/72/87/363617287.db2.gz VAAMFUMXSJTYCU-OLMNPRSZSA-N 0 3 324.428 2.281 20 30 DEEDHN CO[C@@H](CNCc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000597231666 358862374 /nfs/dbraw/zinc/86/23/74/358862374.db2.gz OJWBHNAHMHHPFX-INIZCTEOSA-N 0 3 313.405 2.286 20 30 DEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000597606825 358961526 /nfs/dbraw/zinc/96/15/26/358961526.db2.gz ZEAAWRMYQTWVAH-INIZCTEOSA-N 0 3 314.433 2.181 20 30 DEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(F)c(C#N)c1)C2 ZINC000597709711 358984284 /nfs/dbraw/zinc/98/42/84/358984284.db2.gz ACQVOKKRVBKHSN-QGZVFWFLSA-N 0 3 301.365 2.255 20 30 DEEDHN CCN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000598584436 359250374 /nfs/dbraw/zinc/25/03/74/359250374.db2.gz LYUPDFNVDGZSKH-GJZGRUSLSA-N 0 3 318.417 2.449 20 30 DEEDHN CC(C)(C)OC(=O)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590669 359253670 /nfs/dbraw/zinc/25/36/70/359253670.db2.gz SHWVHLPTNCDMFE-AWEZNQCLSA-N 0 3 310.438 2.341 20 30 DEEDHN CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)CC(C)(C)C#N ZINC000598591075 359253928 /nfs/dbraw/zinc/25/39/28/359253928.db2.gz ZGCRFURLLYERNT-AWEZNQCLSA-N 0 3 304.390 2.190 20 30 DEEDHN COc1ccc([C@@H](CCO)NC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598600214 359255986 /nfs/dbraw/zinc/25/59/86/359255986.db2.gz IIHWWWWWGSHCJO-GOEBONIOSA-N 0 3 306.406 2.009 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(N2CCCCC2)nc1 ZINC000598715482 359302980 /nfs/dbraw/zinc/30/29/80/359302980.db2.gz RKWZGVNLGGRHPQ-MRXNPFEDSA-N 0 3 316.449 2.462 20 30 DEEDHN Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)c(N2CCCC2)n1 ZINC000598723849 359306807 /nfs/dbraw/zinc/30/68/07/359306807.db2.gz LELZGSFGFIBXLB-INIZCTEOSA-N 0 3 316.449 2.381 20 30 DEEDHN CCn1ccnc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598738333 359309347 /nfs/dbraw/zinc/30/93/47/359309347.db2.gz KDUWWGPYBPBLCC-CJNGLKHVSA-N 0 3 321.384 2.334 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598643680 359272904 /nfs/dbraw/zinc/27/29/04/359272904.db2.gz QGGCNTNBGMSXQT-WBVHZDCISA-N 0 3 318.417 2.434 20 30 DEEDHN C=CCCn1cc(CN(CCN(C)C)Cc2cccs2)nn1 ZINC000668165057 540603994 /nfs/dbraw/zinc/60/39/94/540603994.db2.gz KYPDFCRVMZYNLJ-UHFFFAOYSA-N 0 3 319.478 2.480 20 30 DEEDHN CCN1CCN([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000187678252 200143186 /nfs/dbraw/zinc/14/31/86/200143186.db2.gz VOBSICUXFPAQJU-QFBILLFUSA-N 0 3 312.461 2.331 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCN(C)Cc1ccccc1 ZINC000188353405 200232553 /nfs/dbraw/zinc/23/25/53/200232553.db2.gz ZFNCDYHIJBIRGA-SFHVURJKSA-N 0 3 304.434 2.463 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC000602660099 360481139 /nfs/dbraw/zinc/48/11/39/360481139.db2.gz YKCQACRGLCRLRS-UHFFFAOYSA-N 0 3 310.401 2.223 20 30 DEEDHN CC[C@H](C)[C@@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602671369 360488314 /nfs/dbraw/zinc/48/83/14/360488314.db2.gz JLKMMHHPMBFEIQ-CWRNSKLLSA-N 0 3 303.406 2.467 20 30 DEEDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2cccc(C#N)n2)cn1 ZINC000602627619 360464471 /nfs/dbraw/zinc/46/44/71/360464471.db2.gz WTQNXJITPQYENT-DLBZAZTESA-N 0 3 311.389 2.180 20 30 DEEDHN COc1cc(NC(=O)CNC[C@H](C)CCC#N)cc(OC)c1 ZINC000602696332 360503711 /nfs/dbraw/zinc/50/37/11/360503711.db2.gz YJZZBIYAIBMWGH-GFCCVEGCSA-N 0 3 305.378 2.172 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCCN(c3ccncc3)CC2)s1 ZINC000603083250 360692734 /nfs/dbraw/zinc/69/27/34/360692734.db2.gz IVQMCKYRDCWKEN-UHFFFAOYSA-N 0 3 312.398 2.367 20 30 DEEDHN CC[C@@](C)(N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603231822 360757538 /nfs/dbraw/zinc/75/75/38/360757538.db2.gz CVUXCQDEXSADGE-OAHLLOKOSA-N 0 3 321.331 2.383 20 30 DEEDHN CN1CC[C@H]2CCN(c3cc(C#N)c(Br)cn3)[C@@H]2C1 ZINC000603333939 360795803 /nfs/dbraw/zinc/79/58/03/360795803.db2.gz IKKDMSHJUXWEAM-GXFFZTMASA-N 0 3 321.222 2.246 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C1CCC(O)CC1)C(C)C ZINC001422081760 1172286611 /nfs/dbraw/zinc/28/66/11/1172286611.db2.gz HIARTLGNNNOPEH-JXQTWKCFSA-N 0 3 302.846 2.020 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000670092872 540915801 /nfs/dbraw/zinc/91/58/01/540915801.db2.gz ZJZVAQMQCGIKCD-MOPGFXCFSA-N 0 3 314.429 2.212 20 30 DEEDHN CCN1CCN([C@H](C)CNc2ncc(C#N)cc2Cl)CC1 ZINC000609631835 361331558 /nfs/dbraw/zinc/33/15/58/361331558.db2.gz YOPXEHVDUAAROA-GFCCVEGCSA-N 0 3 307.829 2.045 20 30 DEEDHN CN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCCN(C)C1 ZINC000610187694 361365695 /nfs/dbraw/zinc/36/56/95/361365695.db2.gz ZBJHBKRXONUVJR-HNNXBMFYSA-N 0 3 310.401 2.331 20 30 DEEDHN N#Cc1ccccc1OCCN1CCC2(CC1)OCCCO2 ZINC000292863428 223279630 /nfs/dbraw/zinc/27/96/30/223279630.db2.gz AXMXHXUZBBBPBH-UHFFFAOYSA-N 0 3 302.374 2.166 20 30 DEEDHN COc1ccc2c(c1)[C@@H](NC1CCN(CC#N)CC1)CCCO2 ZINC000610813047 361471299 /nfs/dbraw/zinc/47/12/99/361471299.db2.gz XGZPQHVEUNAXEW-KRWDZBQOSA-N 0 3 315.417 2.486 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000610933419 361495065 /nfs/dbraw/zinc/49/50/65/361495065.db2.gz JYUUXEAQHGBQMU-CJNGLKHVSA-N 0 3 309.413 2.331 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610714680 361450462 /nfs/dbraw/zinc/45/04/62/361450462.db2.gz XFQVHIMOWGIUTF-CJNGLKHVSA-N 0 3 322.412 2.377 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000610947110 361496208 /nfs/dbraw/zinc/49/62/08/361496208.db2.gz RVFBYXWYJDJDMI-SJKOYZFVSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@H]1CN(c2ccc(C#N)nn2)[C@@H](C)CN1Cc1ccccc1 ZINC000611242733 361559806 /nfs/dbraw/zinc/55/98/06/361559806.db2.gz SLQHQXDGEOYSAA-GJZGRUSLSA-N 0 3 307.401 2.447 20 30 DEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000611551920 361628498 /nfs/dbraw/zinc/62/84/98/361628498.db2.gz XJAWONAYVKSTQA-RHSMWYFYSA-N 0 3 303.381 2.044 20 30 DEEDHN CN1CC=C(CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619826151 363881146 /nfs/dbraw/zinc/88/11/46/363881146.db2.gz JKLBWFHREBWJEM-UHFFFAOYSA-N 0 3 318.808 2.273 20 30 DEEDHN Cc1nn(C)c(N2CCN(C[C@H](C)C(C)(C)C)CC2)c1C#N ZINC000619845871 363883504 /nfs/dbraw/zinc/88/35/04/363883504.db2.gz ZPKGNBDKPPBGDG-ZDUSSCGKSA-N 0 3 303.454 2.404 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1OC ZINC000621149077 364278563 /nfs/dbraw/zinc/27/85/63/364278563.db2.gz BKDMQIJIWABZOS-HNNXBMFYSA-N 0 3 318.417 2.330 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(Cl)cnn2CC)CC1 ZINC000621858879 364562915 /nfs/dbraw/zinc/56/29/15/364562915.db2.gz JIMMUUZSYJKHCL-UHFFFAOYSA-N 0 3 310.829 2.327 20 30 DEEDHN Cn1cncc1[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000275443137 212335102 /nfs/dbraw/zinc/33/51/02/212335102.db2.gz GANVUDUSKPHLOT-RHSMWYFYSA-N 0 3 314.364 2.441 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3cccc(C)c3O2)CC1 ZINC000449846408 241160812 /nfs/dbraw/zinc/16/08/12/241160812.db2.gz YDJIHFKPDAIQQX-QGZVFWFLSA-N 0 3 314.429 2.455 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000449933439 241269703 /nfs/dbraw/zinc/26/97/03/241269703.db2.gz BDYVBHTXEPQFMP-UHFFFAOYSA-N 0 3 322.412 2.024 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450635502 242043827 /nfs/dbraw/zinc/04/38/27/242043827.db2.gz KGBVLUVEKXBHPY-FZKQIMNGSA-N 0 3 322.412 2.445 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 ZINC000253623546 202905250 /nfs/dbraw/zinc/90/52/50/202905250.db2.gz YSUNSHHBTPHYCY-USXIJHARSA-N 0 3 304.365 2.059 20 30 DEEDHN C=CCOc1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1OC ZINC000093808923 193310113 /nfs/dbraw/zinc/31/01/13/193310113.db2.gz WVRACVADPYIVKH-AWEZNQCLSA-N 0 3 318.417 2.347 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)cc1 ZINC000274961528 212044796 /nfs/dbraw/zinc/04/47/96/212044796.db2.gz UQFAHZJHEVOYMW-KZNAEPCWSA-N 0 3 303.402 2.371 20 30 DEEDHN C[C@]1(CNCc2cccc(OCCCC#N)c2)CCC(=O)N1 ZINC000453592736 245196549 /nfs/dbraw/zinc/19/65/49/245196549.db2.gz TZDYUYTXYCXPRJ-QGZVFWFLSA-N 0 3 301.390 2.127 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000679482373 541860838 /nfs/dbraw/zinc/86/08/38/541860838.db2.gz CURHTFYZJGFSLZ-NVXWUHKLSA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](COC)C1)C(C)C ZINC000265966721 205005003 /nfs/dbraw/zinc/00/50/03/205005003.db2.gz SMQYNKHRFOUTAY-DLBZAZTESA-N 0 3 323.481 2.363 20 30 DEEDHN CC[C@@H]1CN(c2cc(Cl)ccc2C#N)CCN1C[C@@H](C)O ZINC000266435815 205345375 /nfs/dbraw/zinc/34/53/75/205345375.db2.gz VERAIRJYVIOOJS-IUODEOHRSA-N 0 3 307.825 2.493 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000288466127 220161079 /nfs/dbraw/zinc/16/10/79/220161079.db2.gz TUNSOUKORGDLPG-AWEZNQCLSA-N 0 3 323.462 2.098 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](OC)[C@@H](C)CC)CC1 ZINC000454456240 245786248 /nfs/dbraw/zinc/78/62/48/245786248.db2.gz CRBNQRQASWOLKX-HOCLYGCPSA-N 0 3 311.470 2.387 20 30 DEEDHN CN(CCNC(=O)NCC(C)(C)CC#N)Cc1ccccc1 ZINC000457940939 248081875 /nfs/dbraw/zinc/08/18/75/248081875.db2.gz QVIPHAJGUTUXTP-UHFFFAOYSA-N 0 3 302.422 2.357 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccn2CCC(C)C)CC1 ZINC000491121213 248901750 /nfs/dbraw/zinc/90/17/50/248901750.db2.gz PEAUXBWSEJHFFP-UHFFFAOYSA-N 0 3 315.461 2.496 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccncc2)CC1 ZINC000106341148 194198734 /nfs/dbraw/zinc/19/87/34/194198734.db2.gz MYQQILOXHSHDJH-UHFFFAOYSA-N 0 3 302.422 2.264 20 30 DEEDHN CN(C)C(=O)COc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000048745709 183684438 /nfs/dbraw/zinc/68/44/38/183684438.db2.gz XGQIEEXNOSLKPA-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN C[C@H](CNC(=O)/C=C/c1ccc(OCC#N)cc1)N(C)C1CC1 ZINC000057714024 184048687 /nfs/dbraw/zinc/04/86/87/184048687.db2.gz WLDIAKMKPBVNPG-AZWQULSGSA-N 0 3 313.401 2.201 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000556845413 291847259 /nfs/dbraw/zinc/84/72/59/291847259.db2.gz QETAJWIVZMLQNG-KRWDZBQOSA-N 0 3 317.433 2.264 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000270097702 208156501 /nfs/dbraw/zinc/15/65/01/208156501.db2.gz BGLLNUIJENFPJL-OAHLLOKOSA-N 0 3 312.417 2.111 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000270225592 208291847 /nfs/dbraw/zinc/29/18/47/208291847.db2.gz NBPNUBJNCMVNDW-KRWDZBQOSA-N 0 3 315.461 2.052 20 30 DEEDHN C=CCC(CC=C)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000270254121 208318221 /nfs/dbraw/zinc/31/82/21/208318221.db2.gz QTKPJQPCLVQFOU-UHFFFAOYSA-N 0 3 303.406 2.117 20 30 DEEDHN COCC1(C#N)CCN(CCC(=O)N(C)c2ccccc2)CC1 ZINC000341989455 533109601 /nfs/dbraw/zinc/10/96/01/533109601.db2.gz KFOKNRFUMSNJJI-UHFFFAOYSA-N 0 3 315.417 2.292 20 30 DEEDHN COCC1(C#N)CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000341996068 533111005 /nfs/dbraw/zinc/11/10/05/533111005.db2.gz UXDUEVPGCXDKAN-UHFFFAOYSA-N 0 3 319.380 2.406 20 30 DEEDHN CNC(=O)C(C)(C)CNCc1cccc(OCCCC#N)c1 ZINC000120326127 195143288 /nfs/dbraw/zinc/14/32/88/195143288.db2.gz PAPZALNYYDWHFC-UHFFFAOYSA-N 0 3 303.406 2.231 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cc(F)c(F)c(F)c2)CC1 ZINC000490949486 533149109 /nfs/dbraw/zinc/14/91/09/533149109.db2.gz KSLWMGZJOVCWPB-UHFFFAOYSA-N 0 3 324.346 2.108 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OCC(C)C)C2)CC1 ZINC000155594930 197070027 /nfs/dbraw/zinc/07/00/27/197070027.db2.gz PQRVNZZLURJIRO-QGZVFWFLSA-N 0 3 323.481 2.483 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000120569349 195192995 /nfs/dbraw/zinc/19/29/95/195192995.db2.gz GDAHNLMCMORGIW-NSHDSACASA-N 0 3 307.344 2.298 20 30 DEEDHN N#Cc1ccc(CN(C(=O)N[C@@H]2CCN(C3CC3)C2)C2CC2)cc1 ZINC000544296760 285340318 /nfs/dbraw/zinc/34/03/18/285340318.db2.gz PZWADFRYBQDACZ-MRXNPFEDSA-N 0 3 324.428 2.469 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccccc1OCC#N ZINC000120964812 195273032 /nfs/dbraw/zinc/27/30/32/195273032.db2.gz ZZOIAHCACLJDOC-ZFWWWQNUSA-N 0 3 301.390 2.001 20 30 DEEDHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc(C#N)c1 ZINC000429295137 533550184 /nfs/dbraw/zinc/55/01/84/533550184.db2.gz AOITZSVXIOQEQU-WBMJQRKESA-N 0 3 321.380 2.348 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000685658576 542749493 /nfs/dbraw/zinc/74/94/93/542749493.db2.gz VAGORLYNMLSRQK-HKUYNNGSSA-N 0 3 316.445 2.342 20 30 DEEDHN COc1cc(CNCCC(=O)Nc2ccccn2)ccc1C#N ZINC000562934112 292017589 /nfs/dbraw/zinc/01/75/89/292017589.db2.gz YCUUNIBICDSZLL-UHFFFAOYSA-N 0 3 310.357 2.080 20 30 DEEDHN Cn1cc(CNc2cccc(CN3CCC(O)CC3)c2)cc1C#N ZINC000359719200 133141116 /nfs/dbraw/zinc/14/11/16/133141116.db2.gz LGSGMJXMOYHMKP-UHFFFAOYSA-N 0 3 324.428 2.466 20 30 DEEDHN Cc1c([C@@H]2OCC[C@@H]2NCc2ccc(C#N)c(F)c2)cnn1C ZINC000361849877 133195559 /nfs/dbraw/zinc/19/55/59/133195559.db2.gz OFFYESRCAQKVIV-IRXDYDNUSA-N 0 3 314.364 2.359 20 30 DEEDHN N#Cc1nccnc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000376195870 133286301 /nfs/dbraw/zinc/28/63/01/133286301.db2.gz DNVQDPIODXQYMU-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000372695843 133362523 /nfs/dbraw/zinc/36/25/23/133362523.db2.gz NXLPRPWZVAIZMB-QZTJIDSGSA-N 0 3 317.408 2.430 20 30 DEEDHN CCCN(CC)CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000356368100 404480521 /nfs/dbraw/zinc/48/05/21/404480521.db2.gz NCXKFCCZOSWEOV-UHFFFAOYSA-N 0 3 315.483 2.112 20 30 DEEDHN CCCN(CCN1CCOC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000191439260 145058310 /nfs/dbraw/zinc/05/83/10/145058310.db2.gz AWJKBJWFILDIOZ-INIZCTEOSA-N 0 3 301.434 2.491 20 30 DEEDHN COC(=O)c1ccc(NC[C@H](C)N2CCCC[C@@H]2C)c(C#N)n1 ZINC000565315332 292154742 /nfs/dbraw/zinc/15/47/42/292154742.db2.gz UCOPGRFXFOLMOI-STQMWFEESA-N 0 3 316.405 2.415 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCc2ccccc2C1 ZINC000114489411 401801816 /nfs/dbraw/zinc/80/18/16/401801816.db2.gz INWOQGJFHWKSII-CRAIPNDOSA-N 0 3 313.445 2.484 20 30 DEEDHN CN(C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114801173 401810364 /nfs/dbraw/zinc/81/03/64/401810364.db2.gz VUHZKPNJIBEHJR-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN CN(CCOCC1CC1)CCC(=O)Nc1sccc1C#N ZINC000130761184 401838387 /nfs/dbraw/zinc/83/83/87/401838387.db2.gz VFGWCUXRWNKYQD-UHFFFAOYSA-N 0 3 307.419 2.307 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCC(C)C)nc2)CC1 ZINC000116650164 401855777 /nfs/dbraw/zinc/85/57/77/401855777.db2.gz IRNXUNFWCPUGDX-UHFFFAOYSA-N 0 3 315.417 2.400 20 30 DEEDHN CC(C)CCN(CCC#N)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000078621116 401858954 /nfs/dbraw/zinc/85/89/54/401858954.db2.gz FZPZLTJBRDBMOC-UHFFFAOYSA-N 0 3 320.441 2.238 20 30 DEEDHN N#Cc1ccccc1OCCN1CC[C@@H](Oc2ccncc2)C1 ZINC000131932928 401859494 /nfs/dbraw/zinc/85/94/94/401859494.db2.gz GLJKRNOHHJRSAN-QGZVFWFLSA-N 0 3 309.369 2.485 20 30 DEEDHN COc1ccc(OC)c([C@@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000079720707 401880162 /nfs/dbraw/zinc/88/01/62/401880162.db2.gz LGELXAFZPVKFLK-KRWDZBQOSA-N 0 3 312.369 2.399 20 30 DEEDHN C=CCCCN1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000117872005 401886782 /nfs/dbraw/zinc/88/67/82/401886782.db2.gz NHPHKBGBRQNOMD-UHFFFAOYSA-N 0 3 311.433 2.296 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](CCC)C2)CC1 ZINC000119051955 401922027 /nfs/dbraw/zinc/92/20/27/401922027.db2.gz XTCAQNSHEULSMP-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN CN(C)CCOc1cc(CNCc2ccc(C#N)cc2)ccn1 ZINC000136235612 401963942 /nfs/dbraw/zinc/96/39/42/401963942.db2.gz VYAOOTVTRHYZKH-UHFFFAOYSA-N 0 3 310.401 2.183 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]([C@@H](C)O)C1 ZINC000089931098 401974345 /nfs/dbraw/zinc/97/43/45/401974345.db2.gz CYHMSJVSTXMCDZ-HIFRSBDPSA-N 0 3 304.390 2.038 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnc(OC3CCC3)c2)CC1 ZINC000090042580 401979565 /nfs/dbraw/zinc/97/95/65/401979565.db2.gz VASOIQFLEAFYFM-UHFFFAOYSA-N 0 3 315.417 2.393 20 30 DEEDHN CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1nc(-c2nc[n-]n2)no1 ZINC000120792533 402002817 /nfs/dbraw/zinc/00/28/17/402002817.db2.gz ZUKJBRRLOLURDG-LLVKDONJSA-N 0 3 317.397 2.471 20 30 DEEDHN CC(C)[C@@H](NCCCC(C)(C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000120792533 402002818 /nfs/dbraw/zinc/00/28/18/402002818.db2.gz ZUKJBRRLOLURDG-LLVKDONJSA-N 0 3 317.397 2.471 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000120956738 402008112 /nfs/dbraw/zinc/00/81/12/402008112.db2.gz UTLJJONGECXMRP-KRWDZBQOSA-N 0 3 302.418 2.158 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000054984884 402073984 /nfs/dbraw/zinc/07/39/84/402073984.db2.gz RPWIVUNGRBUZGU-GOSISDBHSA-N 0 3 324.428 2.349 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000066898573 402145591 /nfs/dbraw/zinc/14/55/91/402145591.db2.gz AIOZKVBHZIHOPK-MRXNPFEDSA-N 0 3 315.417 2.268 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@]2(CCOC2)C1 ZINC000153481627 402148068 /nfs/dbraw/zinc/14/80/68/402148068.db2.gz RJPWWMIBOVPRKR-HNNXBMFYSA-N 0 3 305.403 2.061 20 30 DEEDHN N#Cc1cc(F)ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000103143273 402180213 /nfs/dbraw/zinc/18/02/13/402180213.db2.gz AAESDFDPMOFKJG-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 ZINC000068164635 402185875 /nfs/dbraw/zinc/18/58/75/402185875.db2.gz HILPDIOWBWOEIT-INIZCTEOSA-N 0 3 316.376 2.111 20 30 DEEDHN Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H](C)C#N)N(C)C)cc1 ZINC000067704836 402169422 /nfs/dbraw/zinc/16/94/22/402169422.db2.gz YTMXEXLQJMPZIU-GOEBONIOSA-N 0 3 302.422 2.399 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000124288159 402173124 /nfs/dbraw/zinc/17/31/24/402173124.db2.gz PMKUSQIRKOEXPS-UHFFFAOYSA-N 0 3 304.365 2.319 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000159609340 402326409 /nfs/dbraw/zinc/32/64/09/402326409.db2.gz AFMGRMBIYVCSOI-UHFFFAOYSA-N 0 3 309.413 2.172 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(CCOCC)CCC2)CC1 ZINC000159638525 402327738 /nfs/dbraw/zinc/32/77/38/402327738.db2.gz LZAJRLHOJPCRQM-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CCN1CCN([C@H]2CCN(Cc3ccc(C#N)cc3C)C2)CC1 ZINC000186223820 402412770 /nfs/dbraw/zinc/41/27/70/402412770.db2.gz ZOQQRCZMRGQZOL-IBGZPJMESA-N 0 3 312.461 2.079 20 30 DEEDHN CN(C)CCn1ccc(NC(=O)Nc2ccc(F)cc2C#N)n1 ZINC000186620948 402448281 /nfs/dbraw/zinc/44/82/81/402448281.db2.gz FOYCDZOCIKVESN-UHFFFAOYSA-N 0 3 316.340 2.099 20 30 DEEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000163716011 402455884 /nfs/dbraw/zinc/45/58/84/402455884.db2.gz VDKATXOFHOFQAJ-CYBMUJFWSA-N 0 3 323.400 2.237 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc(C#N)c2)C1 ZINC000245953008 402500114 /nfs/dbraw/zinc/50/01/14/402500114.db2.gz LJGKKZWQQJBCMH-IRXDYDNUSA-N 0 3 312.417 2.184 20 30 DEEDHN COCCO[C@@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000189744658 402556718 /nfs/dbraw/zinc/55/67/18/402556718.db2.gz OTVHXHKWWYQLOD-QGZVFWFLSA-N 0 3 304.390 2.064 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](OC)C1 ZINC000171206136 402567061 /nfs/dbraw/zinc/56/70/61/402567061.db2.gz APIOAKMLDIHBES-IRXDYDNUSA-N 0 3 305.418 2.266 20 30 DEEDHN CN(C)CCS[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000180077141 402607054 /nfs/dbraw/zinc/60/70/54/402607054.db2.gz YJVHFXJMTONEOB-HNNXBMFYSA-N 0 3 303.431 2.348 20 30 DEEDHN C[C@H](CNC(=O)NCCCCC#N)N(C)Cc1ccccc1 ZINC000171847715 402628101 /nfs/dbraw/zinc/62/81/01/402628101.db2.gz BRUGUPSQYGDHHE-OAHLLOKOSA-N 0 3 302.422 2.500 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccccc2OCCOC)CC1 ZINC000171715582 402613793 /nfs/dbraw/zinc/61/37/93/402613793.db2.gz GDXROFOCTAHZSA-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN C=CCN1CCC(NC(=O)CCCc2nc(CCC)no2)CC1 ZINC000171717620 402614337 /nfs/dbraw/zinc/61/43/37/402614337.db2.gz UVMZUKUEPYOSKM-UHFFFAOYSA-N 0 3 320.437 2.111 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(F)ccc2F)CC1 ZINC000171735249 402616931 /nfs/dbraw/zinc/61/69/31/402616931.db2.gz SXEALIJNAFDMFL-UHFFFAOYSA-N 0 3 309.360 2.414 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCCO)CC(C)(C)C)CC1 ZINC000171737900 402616989 /nfs/dbraw/zinc/61/69/89/402616989.db2.gz YNYIZBHOFDIKIX-UHFFFAOYSA-N 0 3 311.470 2.077 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCOC)C(CC)CC)CC1 ZINC000171739956 402617004 /nfs/dbraw/zinc/61/70/04/402617004.db2.gz DFNKUAYSWUXPRO-UHFFFAOYSA-N 0 3 311.470 2.483 20 30 DEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000180875879 402628582 /nfs/dbraw/zinc/62/85/82/402628582.db2.gz WZOPCDOVRREEMU-YOJQOHNYSA-N 0 3 303.337 2.003 20 30 DEEDHN C=C(C)COCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181321252 402641785 /nfs/dbraw/zinc/64/17/85/402641785.db2.gz WXNLJXHLAKGYAV-MRXNPFEDSA-N 0 3 319.449 2.399 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](COCC)C2)CC1 ZINC000172227277 402646245 /nfs/dbraw/zinc/64/62/45/402646245.db2.gz KNGJHRFMVGCVNV-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN CN(C(=O)CN[C@@H](CCO)C(C)(C)C)C1(C#N)CCCCC1 ZINC000181487680 402647263 /nfs/dbraw/zinc/64/72/63/402647263.db2.gz XPTNTIQOCWZQJQ-AWEZNQCLSA-N 0 3 309.454 2.058 20 30 DEEDHN C=CCc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc(OC)c1OC ZINC000262789821 402731812 /nfs/dbraw/zinc/73/18/12/402731812.db2.gz NASIGMJMLRYNHH-QWHCGFSZSA-N 0 3 318.417 2.255 20 30 DEEDHN Cc1cc(C)c2ncc(C#N)c(N3CCCN(CCO)CC3)c2c1 ZINC000174729478 402753719 /nfs/dbraw/zinc/75/37/19/402753719.db2.gz YYDMBTFIEQDOLQ-UHFFFAOYSA-N 0 3 324.428 2.228 20 30 DEEDHN C=CCCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000263822517 402808564 /nfs/dbraw/zinc/80/85/64/402808564.db2.gz QNUNFSXWBRWZEZ-UHFFFAOYSA-N 0 3 306.406 2.218 20 30 DEEDHN C=CCCCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000175473696 402809634 /nfs/dbraw/zinc/80/96/34/402809634.db2.gz NHWBAJYNBKSQGD-UHFFFAOYSA-N 0 3 317.389 2.451 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC#N ZINC000184095908 402817939 /nfs/dbraw/zinc/81/79/39/402817939.db2.gz QMKMROFFECCOAY-WBVHZDCISA-N 0 3 314.433 2.500 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)CSCC#N)c2)CC1 ZINC000184266119 402831343 /nfs/dbraw/zinc/83/13/43/402831343.db2.gz YFWPQVDTLJPQIY-UHFFFAOYSA-N 0 3 318.446 2.024 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCOc2ccc(C)cc2)CC1 ZINC000263663746 402788157 /nfs/dbraw/zinc/78/81/57/402788157.db2.gz DDWABAZZMGHCMA-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN O=C(NCC#Cc1ccccc1)NC[C@@H]1CCCCN1C1CC1 ZINC000278399890 402864040 /nfs/dbraw/zinc/86/40/40/402864040.db2.gz OMYWCPFZJDDLPS-SFHVURJKSA-N 0 3 311.429 2.354 20 30 DEEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 ZINC000278534084 402867475 /nfs/dbraw/zinc/86/74/75/402867475.db2.gz FNKBBCFRPZIKSR-LNSITVRQSA-N 0 3 307.419 2.067 20 30 DEEDHN C=CCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C1CC1 ZINC000271449651 402872290 /nfs/dbraw/zinc/87/22/90/402872290.db2.gz NXHXPYRQYXAVHF-MRXNPFEDSA-N 0 3 304.390 2.035 20 30 DEEDHN CC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 ZINC000278886347 402882183 /nfs/dbraw/zinc/88/21/83/402882183.db2.gz YGTOCWBXSRYUCF-DLBZAZTESA-N 0 3 323.400 2.138 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC(C)C)nc2)CC1 ZINC000264479435 402882711 /nfs/dbraw/zinc/88/27/11/402882711.db2.gz LCRFAJORAKWPNR-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000264507830 402885042 /nfs/dbraw/zinc/88/50/42/402885042.db2.gz SBNWITBPZYWAIP-UHFFFAOYSA-N 0 3 324.428 2.312 20 30 DEEDHN N#Cc1cccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264632215 402891431 /nfs/dbraw/zinc/89/14/31/402891431.db2.gz UINLEXOAXRFAML-KRWDZBQOSA-N 0 3 312.417 2.328 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000278976919 402892446 /nfs/dbraw/zinc/89/24/46/402892446.db2.gz YBLOETSXIJWUOD-QGZVFWFLSA-N 0 3 322.474 2.403 20 30 DEEDHN Cc1cc(NC(=O)N[C@H](C)CN2CCCCC2)nn1CCC#N ZINC000272084966 402895514 /nfs/dbraw/zinc/89/55/14/402895514.db2.gz MFWPUYBGLBFPMZ-CYBMUJFWSA-N 0 3 318.425 2.101 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2ccc(C)s2)CC1 ZINC000265657558 402937395 /nfs/dbraw/zinc/93/73/95/402937395.db2.gz ZKLAZPGBCXULLN-CYBMUJFWSA-N 0 3 304.459 2.449 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCN(C2CCC2)CC1 ZINC000265860232 402957062 /nfs/dbraw/zinc/95/70/62/402957062.db2.gz RTIFZPKXJGPLKP-UHFFFAOYSA-N 0 3 315.417 2.116 20 30 DEEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000272640405 402958939 /nfs/dbraw/zinc/95/89/39/402958939.db2.gz XNKIVZLBADOUOP-UHFFFAOYSA-N 0 3 315.373 2.370 20 30 DEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCCN1C ZINC000272656572 402959261 /nfs/dbraw/zinc/95/92/61/402959261.db2.gz GHHSIAPAGAQNRU-QWHCGFSZSA-N 0 3 302.378 2.193 20 30 DEEDHN CCN1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000265448195 402919685 /nfs/dbraw/zinc/91/96/85/402919685.db2.gz BJFWWOFRUYTWBN-CYBMUJFWSA-N 0 3 318.421 2.123 20 30 DEEDHN CC(C)[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000266585745 402975994 /nfs/dbraw/zinc/97/59/94/402975994.db2.gz SLFFZAFDZTYEPX-NVXWUHKLSA-N 0 3 320.458 2.371 20 30 DEEDHN C=CCC[C@H](O)CN(CCC(=O)OCC)Cc1cccnc1 ZINC000274215331 403035877 /nfs/dbraw/zinc/03/58/77/403035877.db2.gz XSWYAYZTSIIROI-INIZCTEOSA-N 0 3 306.406 2.164 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280851498 403043461 /nfs/dbraw/zinc/04/34/61/403043461.db2.gz KIOQPUVQSRDADQ-KRWDZBQOSA-N 0 3 322.412 2.007 20 30 DEEDHN C=CCCCN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274335308 403045431 /nfs/dbraw/zinc/04/54/31/403045431.db2.gz OEXOTFCBMYJJIE-SFHVURJKSA-N 0 3 313.401 2.149 20 30 DEEDHN CC1(C2CCN(CCOc3cccc(C#N)c3)CC2)OCCO1 ZINC000268071422 403045954 /nfs/dbraw/zinc/04/59/54/403045954.db2.gz CPZKIIHNJIQXGI-UHFFFAOYSA-N 0 3 316.401 2.412 20 30 DEEDHN CCc1nnc(NC[C@]2(N(C)C)CCSC2)c(C#N)c1CC ZINC000268194689 403060264 /nfs/dbraw/zinc/06/02/64/403060264.db2.gz NJIWEDFUROFNFS-MRXNPFEDSA-N 0 3 319.478 2.322 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000281457741 403069045 /nfs/dbraw/zinc/06/90/45/403069045.db2.gz OXIZZLCFNMQYHQ-SJORKVTESA-N 0 3 302.418 2.459 20 30 DEEDHN CC(=O)c1ccc(C#N)c(NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281591547 403072570 /nfs/dbraw/zinc/07/25/70/403072570.db2.gz HCIMQWLWAWKXAF-UHFFFAOYSA-N 0 3 314.433 2.199 20 30 DEEDHN CN1CCN(CCNc2snc(Cl)c2C#N)CC1(C)C ZINC000281600800 403073762 /nfs/dbraw/zinc/07/37/62/403073762.db2.gz HYERMMRKZYWEKS-UHFFFAOYSA-N 0 3 313.858 2.106 20 30 DEEDHN CC(C)CO[C@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000268342685 403075452 /nfs/dbraw/zinc/07/54/52/403075452.db2.gz ASBGOGVXQLPWGF-WMZOPIPTSA-N 0 3 318.417 2.045 20 30 DEEDHN Cc1nc([C@@H]2CCCN(CCOc3ccccc3C#N)C2)n[nH]1 ZINC000268484225 403087495 /nfs/dbraw/zinc/08/74/95/403087495.db2.gz OPPWNLUOHBCWEZ-OAHLLOKOSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1n[nH]c([C@@H]2CCCN(CCOc3ccccc3C#N)C2)n1 ZINC000268484225 403087497 /nfs/dbraw/zinc/08/74/97/403087497.db2.gz OPPWNLUOHBCWEZ-OAHLLOKOSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1nnc([C@@H]2CCCN(CCOc3ccccc3C#N)C2)[nH]1 ZINC000268484225 403087500 /nfs/dbraw/zinc/08/75/00/403087500.db2.gz OPPWNLUOHBCWEZ-OAHLLOKOSA-N 0 3 311.389 2.243 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCC#N ZINC000274163872 403031781 /nfs/dbraw/zinc/03/17/81/403031781.db2.gz IQDNBADUVLYVHC-ZBFHGGJFSA-N 0 3 300.406 2.110 20 30 DEEDHN CCOC(=O)CC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268679017 403105590 /nfs/dbraw/zinc/10/55/90/403105590.db2.gz LWECGWNDZMOUAX-KRWDZBQOSA-N 0 3 316.401 2.257 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(O)c(OC)c2)CC1 ZINC000276039921 403141462 /nfs/dbraw/zinc/14/14/62/403141462.db2.gz VULQZCDLKUDBEW-UHFFFAOYSA-N 0 3 304.390 2.171 20 30 DEEDHN CN(C)Cc1ccc(C(N)=NOCc2ccc(F)cn2)cc1 ZINC000276095076 403145532 /nfs/dbraw/zinc/14/55/32/403145532.db2.gz RDANAQKLFQUOET-UHFFFAOYSA-N 0 3 302.353 2.119 20 30 DEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000282686540 403158215 /nfs/dbraw/zinc/15/82/15/403158215.db2.gz JZYBSVBWITYMKC-CXAGYDPISA-N 0 3 302.374 2.220 20 30 DEEDHN C#CCCCC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000277318195 403204998 /nfs/dbraw/zinc/20/49/98/403204998.db2.gz XGIRSJYSQAJYTL-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN Cc1nccn1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000270643977 403208069 /nfs/dbraw/zinc/20/80/69/403208069.db2.gz KDFKKZGGNHUFJC-UHFFFAOYSA-N 0 3 309.417 2.276 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000276486497 403180008 /nfs/dbraw/zinc/18/00/08/403180008.db2.gz UGZACMWAWBUVKE-CQSZACIVSA-N 0 3 320.433 2.259 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000276499074 403181189 /nfs/dbraw/zinc/18/11/89/403181189.db2.gz BWBTYIGQVCVMAS-RDJZCZTQSA-N 0 3 322.474 2.393 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284454326 403267420 /nfs/dbraw/zinc/26/74/20/403267420.db2.gz STOSGXNBEGKJNX-WMLDXEAASA-N 0 3 320.433 2.395 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)C1 ZINC000285101721 403277858 /nfs/dbraw/zinc/27/78/58/403277858.db2.gz KHDKTNVPIGVCGY-GOEBONIOSA-N 0 3 322.430 2.034 20 30 DEEDHN C[C@H](c1ccncc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000271217743 403280642 /nfs/dbraw/zinc/28/06/42/403280642.db2.gz BSPIXNTUMHLTFC-RHSMWYFYSA-N 0 3 311.385 2.386 20 30 DEEDHN CN1CCCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000297935572 403289088 /nfs/dbraw/zinc/28/90/88/403289088.db2.gz ROQXWGVNHCLLAT-UHFFFAOYSA-N 0 3 308.223 2.458 20 30 DEEDHN C=CCCN(C)CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000342718110 403319658 /nfs/dbraw/zinc/31/96/58/403319658.db2.gz HORKSZSVGTYGHI-UHFFFAOYSA-N 0 3 306.406 2.170 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@@]2(C)CO)c(C#N)c1C ZINC000331129796 403335213 /nfs/dbraw/zinc/33/52/13/403335213.db2.gz AKQVYRLGZONLED-YLVFBTJISA-N 0 3 319.405 2.236 20 30 DEEDHN CCOC[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000298551495 403411546 /nfs/dbraw/zinc/41/15/46/403411546.db2.gz ODZCHCYJCUJHBQ-DLBZAZTESA-N 0 3 315.417 2.314 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000345646124 403417866 /nfs/dbraw/zinc/41/78/66/403417866.db2.gz VLHKPNQTXXJBER-CZUORRHYSA-N 0 3 308.447 2.328 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)C2(C#N)CCCC2)ccn1 ZINC000343058992 403448534 /nfs/dbraw/zinc/44/85/34/403448534.db2.gz VWUWWVPHEYSXJI-UHFFFAOYSA-N 0 3 302.378 2.044 20 30 DEEDHN CCOCC(C)(C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000293351804 403450333 /nfs/dbraw/zinc/45/03/33/403450333.db2.gz TZTNSBZKDCEYIH-UHFFFAOYSA-N 0 3 303.406 2.338 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)c2sccc2C#N)ccn1 ZINC000343064474 403450585 /nfs/dbraw/zinc/45/05/85/403450585.db2.gz YIBUEUOXXLOVPI-UHFFFAOYSA-N 0 3 316.386 2.207 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)CC1 ZINC000345747056 403467137 /nfs/dbraw/zinc/46/71/37/403467137.db2.gz AZCDUQLDJQCICF-CVEARBPZSA-N 0 3 322.497 2.151 20 30 DEEDHN C#CCN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000286475665 403531191 /nfs/dbraw/zinc/53/11/91/403531191.db2.gz LDOGKTQWLOZQDA-HNNXBMFYSA-N 0 3 306.356 2.235 20 30 DEEDHN C=CCc1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc(OC)c1O ZINC000346336811 403585547 /nfs/dbraw/zinc/58/55/47/403585547.db2.gz PPMKNRVJOICFPX-XHSDSOJGSA-N 0 3 303.402 2.332 20 30 DEEDHN C#CCN(C)CCCNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC000293875330 403588287 /nfs/dbraw/zinc/58/82/87/403588287.db2.gz CGFNZULGLBICKE-GOSISDBHSA-N 0 3 314.429 2.152 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccccc1OCC1CC1 ZINC000293923253 403600215 /nfs/dbraw/zinc/60/02/15/403600215.db2.gz HCYQAVFUXMVDOD-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)c1ccccc1OC ZINC000293925078 403600984 /nfs/dbraw/zinc/60/09/84/403600984.db2.gz HHXKETGUJCONNU-CCEZHUSRSA-N 0 3 300.402 2.170 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(Br)cc1 ZINC000293979473 403615226 /nfs/dbraw/zinc/61/52/26/403615226.db2.gz MTHNOBNVSSWDEA-UHFFFAOYSA-N 0 3 323.234 2.063 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000294036290 403630678 /nfs/dbraw/zinc/63/06/78/403630678.db2.gz RWRSWAAOIFXRJH-OAHLLOKOSA-N 0 3 302.418 2.260 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287631953 403638853 /nfs/dbraw/zinc/63/88/53/403638853.db2.gz FTQLIXSPWDETJY-OALUTQOASA-N 0 3 323.396 2.278 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)c3ccccc3OCC#N)C2)C1 ZINC000294122307 403653109 /nfs/dbraw/zinc/65/31/09/403653109.db2.gz LWAZRGUFWJRKKV-SFHVURJKSA-N 0 3 313.401 2.147 20 30 DEEDHN C[C@@H](NC(=O)c1cnccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000343683034 403690553 /nfs/dbraw/zinc/69/05/53/403690553.db2.gz DTHXQMOSWYUHJG-CXAGYDPISA-N 0 3 308.385 2.374 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000294303769 403697581 /nfs/dbraw/zinc/69/75/81/403697581.db2.gz CENOCIPFTRCRQK-UHFFFAOYSA-N 0 3 300.402 2.304 20 30 DEEDHN CCN1CCN([C@H](C)CNc2snc(Cl)c2C#N)CC1 ZINC000301567644 403648595 /nfs/dbraw/zinc/64/85/95/403648595.db2.gz ZNKAEAGKMLCXFS-SNVBAGLBSA-N 0 3 313.858 2.106 20 30 DEEDHN CCN1CCN(c2cccc(Nc3nccc(C#N)n3)c2)CC1 ZINC000295066209 403748355 /nfs/dbraw/zinc/74/83/55/403748355.db2.gz PTVXGLHPTYBUSS-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CCNC(C)=O)C1 ZINC000347683057 403804449 /nfs/dbraw/zinc/80/44/49/403804449.db2.gz PPJWIEHOCVQARO-DOTOQJQBSA-N 0 3 323.481 2.038 20 30 DEEDHN N#CC(C(=O)c1ccc(OCC(F)F)nc1)c1ccncn1 ZINC000354466076 403815403 /nfs/dbraw/zinc/81/54/03/403815403.db2.gz MEPZZCJVODTUGR-JTQLQIEISA-N 0 3 304.256 2.006 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000347739880 403836157 /nfs/dbraw/zinc/83/61/57/403836157.db2.gz YWACFEXVWXJHMQ-NXEZZACHSA-N 0 3 311.179 2.492 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCC1=CCN(C)CC1 ZINC000361715491 403820114 /nfs/dbraw/zinc/82/01/14/403820114.db2.gz ATPBASNYISNRQF-UHFFFAOYSA-N 0 3 316.401 2.252 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCN1C ZINC000341205555 403832944 /nfs/dbraw/zinc/83/29/44/403832944.db2.gz QUYORDUVMYEUCW-XJKSGUPXSA-N 0 3 300.406 2.182 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000295151949 403776575 /nfs/dbraw/zinc/77/65/75/403776575.db2.gz PQGFKAJFOBUYJF-LZLYRXPVSA-N 0 3 314.429 2.194 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CCNC(C)=O)C1 ZINC000347633260 403784326 /nfs/dbraw/zinc/78/43/26/403784326.db2.gz CQANUXGOAMGLKM-HNNXBMFYSA-N 0 3 315.417 2.305 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)c2cccc(C#N)c2)CC1 ZINC000341299196 403894999 /nfs/dbraw/zinc/89/49/99/403894999.db2.gz WPWYYBHLGABHBN-UHFFFAOYSA-N 0 3 315.417 2.177 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000361774719 403857350 /nfs/dbraw/zinc/85/73/50/403857350.db2.gz ZDHSPLFLFXOBNE-KGLIPLIRSA-N 0 3 318.417 2.473 20 30 DEEDHN COC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000295382116 403892991 /nfs/dbraw/zinc/89/29/91/403892991.db2.gz PPFAGLDLJNATBS-MRXNPFEDSA-N 0 3 311.385 2.316 20 30 DEEDHN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C(C)C#N ZINC000354591682 403894124 /nfs/dbraw/zinc/89/41/24/403894124.db2.gz DJMNRASFSNILAY-JTQLQIEISA-N 0 3 323.780 2.262 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(F)ccc1F ZINC000411636982 403919417 /nfs/dbraw/zinc/91/94/17/403919417.db2.gz FEVZLNOIPHCLLD-UHFFFAOYSA-N 0 3 311.376 2.343 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000411641727 403921295 /nfs/dbraw/zinc/92/12/95/403921295.db2.gz MCJLFZNJERQXOI-MRXNPFEDSA-N 0 3 303.450 2.478 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CC[C@@H](C)C1 ZINC000362156119 403929464 /nfs/dbraw/zinc/92/94/64/403929464.db2.gz MEXGYLPQGFHMSI-BFYDXBDKSA-N 0 3 309.454 2.178 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CC[C@@H](C)C1 ZINC000362154883 403929870 /nfs/dbraw/zinc/92/98/70/403929870.db2.gz IGQHHOZCVMYSDC-CVEARBPZSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CCCC[C@H]1O ZINC000305834324 403946294 /nfs/dbraw/zinc/94/62/94/403946294.db2.gz WMRDIPCAYAXWLI-OWCLPIDISA-N 0 3 321.465 2.200 20 30 DEEDHN CCOC[C@H]1CCCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000313442918 403986621 /nfs/dbraw/zinc/98/66/21/403986621.db2.gz KIJSRZJOSOJZTF-SJORKVTESA-N 0 3 318.417 2.189 20 30 DEEDHN Cn1ncc(Br)c1CNCCc1cccc(C#N)c1 ZINC000341470958 403987129 /nfs/dbraw/zinc/98/71/29/403987129.db2.gz CFMGKRHAPBHWCP-UHFFFAOYSA-N 0 3 319.206 2.387 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000362807784 403988584 /nfs/dbraw/zinc/98/85/84/403988584.db2.gz IGBDSRJJWQRNIH-KURKYZTESA-N 0 3 314.429 2.358 20 30 DEEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000289875148 404006121 /nfs/dbraw/zinc/00/61/21/404006121.db2.gz RQCPEXLBZBKPHE-WFASDCNBSA-N 0 3 310.825 2.214 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)[C@H]1C ZINC001088876050 782008445 /nfs/dbraw/zinc/00/84/45/782008445.db2.gz RXZKKRWRPWKQSW-OLZOCXBDSA-N 0 3 314.389 2.438 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411784220 403968188 /nfs/dbraw/zinc/96/81/88/403968188.db2.gz GZFMPUOVYLLANC-NCOADZHNSA-N 0 3 306.450 2.491 20 30 DEEDHN N#Cc1ccc(CN2CCCN(CCc3cn[nH]c3)CC2)cc1 ZINC000289452809 403971711 /nfs/dbraw/zinc/97/17/11/403971711.db2.gz XKNSRRKXBQLKJR-UHFFFAOYSA-N 0 3 309.417 2.032 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000290223466 404085844 /nfs/dbraw/zinc/08/58/44/404085844.db2.gz RBDJOGWBAHRXRI-IAQYHMDHSA-N 0 3 302.353 2.255 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000354921268 404102257 /nfs/dbraw/zinc/10/22/57/404102257.db2.gz YTRCFMLLKWXHLE-PKOBYXMFSA-N 0 3 316.445 2.437 20 30 DEEDHN CO[C@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296046238 404066448 /nfs/dbraw/zinc/06/64/48/404066448.db2.gz OHBJMKFBTPSJCT-RDJZCZTQSA-N 0 3 318.417 2.045 20 30 DEEDHN Cc1cn2c(n1)[C@H](CNC(=O)N(C)CCN1CCCC1)CCC2 ZINC000328641665 404122492 /nfs/dbraw/zinc/12/24/92/404122492.db2.gz DHMKCNHWMBAOEE-HNNXBMFYSA-N 0 3 319.453 2.011 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412120764 404145567 /nfs/dbraw/zinc/14/55/67/404145567.db2.gz ZJDYIEXWJMGCON-BPQIPLTHSA-N 0 3 311.429 2.462 20 30 DEEDHN Cn1ncc2c1C[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)CC2 ZINC000328769071 404147623 /nfs/dbraw/zinc/14/76/23/404147623.db2.gz GHNUPWCJQKREJQ-CZUORRHYSA-N 0 3 316.449 2.498 20 30 DEEDHN CN1CCC2(CCCN2C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000329056562 404215243 /nfs/dbraw/zinc/21/52/43/404215243.db2.gz IIWQTZBWDNKEME-AWEZNQCLSA-N 0 3 317.437 2.261 20 30 DEEDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000296292415 404180580 /nfs/dbraw/zinc/18/05/80/404180580.db2.gz ZHEFCDPWFGCZEQ-LSDHHAIUSA-N 0 3 314.433 2.301 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363557989 404183984 /nfs/dbraw/zinc/18/39/84/404183984.db2.gz NVGVODUNAXYVAM-HZPDHXFCSA-N 0 3 309.454 2.237 20 30 DEEDHN Cn1ccnc1N1CCC(NC(=O)c2ccc3cncn3c2)CC1 ZINC000329080956 404224031 /nfs/dbraw/zinc/22/40/31/404224031.db2.gz CWVDJSORDFXIND-UHFFFAOYSA-N 0 3 324.388 2.041 20 30 DEEDHN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)C1=CCN(C)CC1 ZINC000328993669 404193699 /nfs/dbraw/zinc/19/36/99/404193699.db2.gz GBBDBJQJPHNDKK-BPLDGKMQSA-N 0 3 318.421 2.105 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc(=O)[nH]1)C(C)C ZINC000349874776 404238930 /nfs/dbraw/zinc/23/89/30/404238930.db2.gz FUQTVQOVJYMRJG-ZDUSSCGKSA-N 0 3 309.435 2.277 20 30 DEEDHN C[C@H]1CCCCN1CCNC(=O)Cc1c(F)cccc1C#N ZINC000349887941 404246870 /nfs/dbraw/zinc/24/68/70/404246870.db2.gz FHVIAQIIUPJLDK-ZDUSSCGKSA-N 0 3 303.381 2.230 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cccc(C)c1C#N ZINC000341934645 404264566 /nfs/dbraw/zinc/26/45/66/404264566.db2.gz FITPUVZMUOVVLQ-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN CCCC(=O)N1CCC[C@H](C(=O)NCC2=CCN(C)CC2)C1 ZINC000329211957 404265659 /nfs/dbraw/zinc/26/56/59/404265659.db2.gz HMNLPYGFMNHZGN-HNNXBMFYSA-N 0 3 307.438 2.244 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000329224499 404271511 /nfs/dbraw/zinc/27/15/11/404271511.db2.gz ZUSSYCZSXAHDGJ-FVQBIDKESA-N 0 3 310.438 2.401 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000329224500 404271939 /nfs/dbraw/zinc/27/19/39/404271939.db2.gz ZUSSYCZSXAHDGJ-VNQPRFMTSA-N 0 3 310.438 2.401 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000290579418 404226743 /nfs/dbraw/zinc/22/67/43/404226743.db2.gz SLJDOEZYVIDZLG-KYJSFNMBSA-N 0 3 302.418 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC(F)F)cn2)CC1 ZINC000355397559 404330139 /nfs/dbraw/zinc/33/01/39/404330139.db2.gz DDFIOJPGHWRFCQ-UHFFFAOYSA-N 0 3 311.332 2.063 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)CCNC(=O)C3CCCCC3)[C@@H]2C1 ZINC000329466242 404345616 /nfs/dbraw/zinc/34/56/16/404345616.db2.gz VXBPFEKMUVUXCD-GDBMZVCRSA-N 0 3 321.465 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000296871018 404350064 /nfs/dbraw/zinc/35/00/64/404350064.db2.gz LAQWZHUJQNPIMA-GOSISDBHSA-N 0 3 313.445 2.216 20 30 DEEDHN CNC(=O)C1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000329306731 404296856 /nfs/dbraw/zinc/29/68/56/404296856.db2.gz YVVQONUIOZQKKL-PPWQZUPISA-N 0 3 322.453 2.072 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2OCO3)CC1 ZINC000329351298 404310765 /nfs/dbraw/zinc/31/07/65/404310765.db2.gz XDCGIXBBWYZXAE-UHFFFAOYSA-N 0 3 303.362 2.392 20 30 DEEDHN Cc1nsc(N2CC[C@H](OCCN3CCCCC3)C2)c1C#N ZINC000329391266 404322447 /nfs/dbraw/zinc/32/24/47/404322447.db2.gz RRTOUSOLCBVQTF-AWEZNQCLSA-N 0 3 320.462 2.404 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291262336 404378785 /nfs/dbraw/zinc/37/87/85/404378785.db2.gz NARASOCSWCXLNE-OAHLLOKOSA-N 0 3 323.387 2.486 20 30 DEEDHN C=CCN(CCOC)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000342150629 404404321 /nfs/dbraw/zinc/40/43/21/404404321.db2.gz ATNIDRBPGFEWOO-LJQANCHMSA-N 0 3 318.461 2.412 20 30 DEEDHN COCCCN1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000352638229 404507656 /nfs/dbraw/zinc/50/76/56/404507656.db2.gz SKCYMNBKBYGSAJ-UHFFFAOYSA-N 0 3 324.469 2.116 20 30 DEEDHN N#CC1(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)CCCC1 ZINC000329970071 404511270 /nfs/dbraw/zinc/51/12/70/404511270.db2.gz WXMAIKSDMSETOA-MRXNPFEDSA-N 0 3 319.449 2.174 20 30 DEEDHN CN(C(=O)C1CCC(NC(=O)C2CC2)CC1)C1CCN(C)CC1 ZINC000329997297 404519672 /nfs/dbraw/zinc/51/96/72/404519672.db2.gz QGWAWLVXYJIKPR-UHFFFAOYSA-N 0 3 321.465 2.464 20 30 DEEDHN CCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C#N)ccc1C ZINC000352528824 404436818 /nfs/dbraw/zinc/43/68/18/404436818.db2.gz MBHQFVXPJJIFDP-OAHLLOKOSA-N 0 3 321.446 2.019 20 30 DEEDHN CNC(=O)[C@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000329758036 404441584 /nfs/dbraw/zinc/44/15/84/404441584.db2.gz NIVKEGFBWKZEOD-AWEZNQCLSA-N 0 3 313.405 2.374 20 30 DEEDHN C[C@@](CO)(CNCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342211036 404444515 /nfs/dbraw/zinc/44/45/15/404444515.db2.gz MMGLJHGTLSHVFB-IBGZPJMESA-N 0 3 320.396 2.246 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2oc(CCC)nc2C)CC1 ZINC000291614605 404450453 /nfs/dbraw/zinc/45/04/53/404450453.db2.gz AHXYOIBIOOFPGZ-UHFFFAOYSA-N 0 3 320.437 2.385 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CCC[C@@H]1O)C(C)C ZINC000350750642 404461390 /nfs/dbraw/zinc/46/13/90/404461390.db2.gz ZXHZUGJDNOMZFY-BBWFWOEESA-N 0 3 323.481 2.240 20 30 DEEDHN CC(C)C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CCO1 ZINC000330195363 404581608 /nfs/dbraw/zinc/58/16/08/404581608.db2.gz PCOUVYRVLVIUPW-RBSFLKMASA-N 0 3 320.437 2.295 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)nc(C)n1 ZINC000342444262 404581755 /nfs/dbraw/zinc/58/17/55/404581755.db2.gz XJTCWMBJIXVGKQ-AWEZNQCLSA-N 0 3 318.340 2.369 20 30 DEEDHN CCn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000330220311 404591036 /nfs/dbraw/zinc/59/10/36/404591036.db2.gz KTNYBYUINWVTSW-DGCLKSJQSA-N 0 3 316.409 2.080 20 30 DEEDHN O=C(N[C@@H](CCO)C1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000330112215 404555058 /nfs/dbraw/zinc/55/50/58/404555058.db2.gz BSVJJBHEINRIKU-HOCLYGCPSA-N 0 3 309.454 2.058 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000342410893 404561061 /nfs/dbraw/zinc/56/10/61/404561061.db2.gz PKUQDGSTPOZBRN-CABCVRRESA-N 0 3 315.417 2.345 20 30 DEEDHN C[C@@H](Cn1cccn1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000330138166 404562632 /nfs/dbraw/zinc/56/26/32/404562632.db2.gz OEPZPFBDXUYWJC-HNNXBMFYSA-N 0 3 319.453 2.136 20 30 DEEDHN C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CCN(C2CCCCC2)CC1 ZINC000330138166 404562644 /nfs/dbraw/zinc/56/26/44/404562644.db2.gz OEPZPFBDXUYWJC-HNNXBMFYSA-N 0 3 319.453 2.136 20 30 DEEDHN CC(C)(C)[C@H](C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000292068388 404654673 /nfs/dbraw/zinc/65/46/73/404654673.db2.gz ZXOCXLRBRTVVGO-IHRRRGAJSA-N 0 3 300.358 2.345 20 30 DEEDHN C=C(C)[C@H](CC(=O)Nc1ccnc(OCCN(C)C)c1)OCC ZINC000345288055 404659169 /nfs/dbraw/zinc/65/91/69/404659169.db2.gz QWLCUQMMOUIOAV-HNNXBMFYSA-N 0 3 321.421 2.332 20 30 DEEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCN1C ZINC000330245991 404599638 /nfs/dbraw/zinc/59/96/38/404599638.db2.gz DYBBUPPNRVVEHS-GJZGRUSLSA-N 0 3 319.453 2.438 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330256129 404603915 /nfs/dbraw/zinc/60/39/15/404603915.db2.gz KKBIZKXTIJRQLW-PSOPSSQASA-N 0 3 306.410 2.171 20 30 DEEDHN Cc1cnccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000351496503 404609087 /nfs/dbraw/zinc/60/90/87/404609087.db2.gz WWEMULRNMVWUIW-QGZVFWFLSA-N 0 3 304.353 2.260 20 30 DEEDHN C=CCN1CC(=O)N([C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1=O ZINC000365358066 404631391 /nfs/dbraw/zinc/63/13/91/404631391.db2.gz RLZFYUZQNGRUEX-GOEBONIOSA-N 0 3 313.401 2.100 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000330351258 404633909 /nfs/dbraw/zinc/63/39/09/404633909.db2.gz MAXVSXOCNVCHFH-VNQPRFMTSA-N 0 3 320.437 2.186 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(C1)CCOCC2 ZINC000353055305 404732881 /nfs/dbraw/zinc/73/28/81/404732881.db2.gz ZIHQSPGQBHJFKR-QGZVFWFLSA-N 0 3 317.429 2.267 20 30 DEEDHN COc1ccc(C(=O)C2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000357832837 404745794 /nfs/dbraw/zinc/74/57/94/404745794.db2.gz QWFXGCCFLNNROE-LBPRGKRZSA-N 0 3 300.358 2.276 20 30 DEEDHN C=CCN1CCC(NC(=O)CCC(=O)N(CCC)CCC)CC1 ZINC000358232228 404757071 /nfs/dbraw/zinc/75/70/71/404757071.db2.gz UCDNHEYFPHDMFZ-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358389492 404760750 /nfs/dbraw/zinc/76/07/50/404760750.db2.gz FKLPKRBUJGYDPU-UHFFFAOYSA-N 0 3 321.352 2.043 20 30 DEEDHN C=CCCOCCN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000358360386 404760946 /nfs/dbraw/zinc/76/09/46/404760946.db2.gz AJTFAFZCPGHXSI-CYBMUJFWSA-N 0 3 312.435 2.301 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000353216787 404772847 /nfs/dbraw/zinc/77/28/47/404772847.db2.gz LDZGPXZVPQOIIR-UHFFFAOYSA-N 0 3 307.438 2.030 20 30 DEEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000414713906 404714877 /nfs/dbraw/zinc/71/48/77/404714877.db2.gz PHNZXIUALDCDOS-NOZJJQNGSA-N 0 3 322.796 2.446 20 30 DEEDHN COC(=O)CC1(NCCOc2ccc(C#N)cc2OC)CCC1 ZINC000353033310 404727357 /nfs/dbraw/zinc/72/73/57/404727357.db2.gz MZFPWNHNTYKJSN-UHFFFAOYSA-N 0 3 318.373 2.021 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1c(F)cccc1C#N ZINC000353236664 404778301 /nfs/dbraw/zinc/77/83/01/404778301.db2.gz UHDSBAVXZVCBJT-BLLLJJGKSA-N 0 3 303.381 2.038 20 30 DEEDHN C=CCOc1cccc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000415021947 404789548 /nfs/dbraw/zinc/78/95/48/404789548.db2.gz YZZGXYWROSXRMO-SWLSCSKDSA-N 0 3 319.405 2.486 20 30 DEEDHN C=CCc1cc(CNC[C@@]2(OC)CCOC2)cc(OC)c1O ZINC000359622508 404798920 /nfs/dbraw/zinc/79/89/20/404798920.db2.gz HGVULMWTWDAWCK-KRWDZBQOSA-N 0 3 307.390 2.024 20 30 DEEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359918866 404809356 /nfs/dbraw/zinc/80/93/56/404809356.db2.gz SECORBQYOYIEFQ-CQSZACIVSA-N 0 3 324.296 2.438 20 30 DEEDHN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C#N)cc1C ZINC000360141193 404819568 /nfs/dbraw/zinc/81/95/68/404819568.db2.gz KKXSHGKRPIVHFJ-OCCSQVGLSA-N 0 3 317.414 2.303 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000353449003 404833764 /nfs/dbraw/zinc/83/37/64/404833764.db2.gz LYFKOGGDKBDJCO-QAPCUYQASA-N 0 3 307.482 2.216 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000366823733 404853598 /nfs/dbraw/zinc/85/35/98/404853598.db2.gz MFVOGARAUHBSQF-KRWDZBQOSA-N 0 3 322.474 2.394 20 30 DEEDHN N#C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1ccccc1F ZINC000353693049 404923405 /nfs/dbraw/zinc/92/34/05/404923405.db2.gz VDXCIXGXICVCLJ-HZPDHXFCSA-N 0 3 301.365 2.381 20 30 DEEDHN N#C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1ccccc1F ZINC000353693050 404923658 /nfs/dbraw/zinc/92/36/58/404923658.db2.gz VDXCIXGXICVCLJ-JKSUJKDBSA-N 0 3 301.365 2.381 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000424092712 405002431 /nfs/dbraw/zinc/00/24/31/405002431.db2.gz QJQUPIJVEORMDO-STQMWFEESA-N 0 3 307.394 2.500 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424099286 405006042 /nfs/dbraw/zinc/00/60/42/405006042.db2.gz IXLMMPPFTRBSME-INIZCTEOSA-N 0 3 301.390 2.231 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000424113521 405010290 /nfs/dbraw/zinc/01/02/90/405010290.db2.gz NTPMNTHBSQMRFA-INIZCTEOSA-N 0 3 301.390 2.152 20 30 DEEDHN COc1cccc(C2CCN(C(=O)[C@H](N)CCCC#N)CC2)c1 ZINC000424115172 405011795 /nfs/dbraw/zinc/01/17/95/405011795.db2.gz UKJBDAGLKRZRRP-QGZVFWFLSA-N 0 3 315.417 2.422 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1F ZINC000424119358 405012599 /nfs/dbraw/zinc/01/25/99/405012599.db2.gz FQVGLZZSSUHJFN-JSGCOSHPSA-N 0 3 307.369 2.120 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000424136917 405017885 /nfs/dbraw/zinc/01/78/85/405017885.db2.gz ACFNLQWPLMSCPA-UKRRQHHQSA-N 0 3 320.824 2.056 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(C)c1 ZINC000424154319 405023846 /nfs/dbraw/zinc/02/38/46/405023846.db2.gz OFFQSYDTRZSWQA-HOCLYGCPSA-N 0 3 303.406 2.290 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(C)c1 ZINC000424154317 405024406 /nfs/dbraw/zinc/02/44/06/405024406.db2.gz OFFQSYDTRZSWQA-GOEBONIOSA-N 0 3 303.406 2.290 20 30 DEEDHN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@@H](N)CCCC#N ZINC000424166111 405028380 /nfs/dbraw/zinc/02/83/80/405028380.db2.gz FWVMWFCDCOGHLQ-AWEZNQCLSA-N 0 3 311.389 2.056 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000424176353 405030827 /nfs/dbraw/zinc/03/08/27/405030827.db2.gz RWTYRSLJBKHUII-AWEZNQCLSA-N 0 3 307.344 2.134 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000436066602 405042348 /nfs/dbraw/zinc/04/23/48/405042348.db2.gz LNXQSGMQOJXFJY-HNNXBMFYSA-N 0 3 311.385 2.362 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000367620506 405105270 /nfs/dbraw/zinc/10/52/70/405105270.db2.gz CVFGMUGXYMHQGF-OWLYRPNTSA-N 0 3 314.429 2.065 20 30 DEEDHN C=CCCCNC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000419051755 405222617 /nfs/dbraw/zinc/22/26/17/405222617.db2.gz GCMGSKJOCYQWBA-INIZCTEOSA-N 0 3 317.433 2.008 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000438000047 405228273 /nfs/dbraw/zinc/22/82/73/405228273.db2.gz PJARYKQDQRYUNH-HZPDHXFCSA-N 0 3 323.481 2.389 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cnccc1C#N ZINC000452776204 405240750 /nfs/dbraw/zinc/24/07/50/405240750.db2.gz OOMLOXSXURITNW-HNNXBMFYSA-N 0 3 300.406 2.194 20 30 DEEDHN C=CCN1CC[C@H](N2CCNC[C@H]2c2ccccc2Cl)C1=O ZINC000420311641 405314428 /nfs/dbraw/zinc/31/44/28/405314428.db2.gz NZAWSFAXHSGUST-HOTGVXAUSA-N 0 3 319.836 2.073 20 30 DEEDHN C=CC[C@H]1N(CC(=O)NCC(=O)NC(C)(C)C)CCCC1(C)C ZINC000444779247 405342408 /nfs/dbraw/zinc/34/24/08/405342408.db2.gz BGAOKHJYHCDBIZ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)CN(C)C)cc1 ZINC000454530879 405358809 /nfs/dbraw/zinc/35/88/09/405358809.db2.gz SJUOKYYJMACPKF-UHFFFAOYSA-N 0 3 318.421 2.064 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420784478 405383702 /nfs/dbraw/zinc/38/37/02/405383702.db2.gz GXYYDVCYSGKJMO-INIZCTEOSA-N 0 3 317.433 2.487 20 30 DEEDHN C[C@@H]1C[C@H](CO)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000420932160 405408597 /nfs/dbraw/zinc/40/85/97/405408597.db2.gz DUCXHSPRDOGALC-ZBFHGGJFSA-N 0 3 324.428 2.409 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420945415 405412888 /nfs/dbraw/zinc/41/28/88/405412888.db2.gz KQZSBORCNQTBGX-LBPRGKRZSA-N 0 3 305.344 2.413 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000447456682 405415099 /nfs/dbraw/zinc/41/50/99/405415099.db2.gz BOFRBMLLYJOBJV-UHFFFAOYSA-N 0 3 300.362 2.050 20 30 DEEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000445901488 405362167 /nfs/dbraw/zinc/36/21/67/405362167.db2.gz XHYMATVCZNOYRL-WCQYABFASA-N 0 3 305.344 2.361 20 30 DEEDHN CC1CCN(CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455754980 405447606 /nfs/dbraw/zinc/44/76/06/405447606.db2.gz MHHQGXSHSDDUIT-UHFFFAOYSA-N 0 3 321.812 2.460 20 30 DEEDHN CN(C)[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448901244 405461545 /nfs/dbraw/zinc/46/15/45/405461545.db2.gz PRTJLQVKCRNWJU-NSHDSACASA-N 0 3 322.206 2.097 20 30 DEEDHN CC(C)CN1CCO[C@@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000421334032 405465214 /nfs/dbraw/zinc/46/52/14/405465214.db2.gz PBMAIASGJPWSRN-INIZCTEOSA-N 0 3 305.397 2.144 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000421711591 405605057 /nfs/dbraw/zinc/60/50/57/405605057.db2.gz OXQXGZWHZNTZMP-HNNXBMFYSA-N 0 3 315.417 2.268 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)C1 ZINC000558032672 405640797 /nfs/dbraw/zinc/64/07/97/405640797.db2.gz IHKPSQBIMTUGAY-MRXNPFEDSA-N 0 3 303.793 2.379 20 30 DEEDHN C[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CCC1(F)F ZINC000528503271 405641097 /nfs/dbraw/zinc/64/10/97/405641097.db2.gz JXARLRDEGGJCPW-JSGCOSHPSA-N 0 3 310.344 2.275 20 30 DEEDHN C[C@H]1CCCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582266304 405695130 /nfs/dbraw/zinc/69/51/30/405695130.db2.gz OTUGPOUEDFKDLQ-DZGCQCFKSA-N 0 3 321.446 2.143 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1cn[nH]c1 ZINC000582396294 405720319 /nfs/dbraw/zinc/72/03/19/405720319.db2.gz BWZMHTUAWWHGAD-XJKSGUPXSA-N 0 3 301.390 2.229 20 30 DEEDHN COCc1ccc(NC(=O)NCC2=CCN(C)CC2)cc1C#N ZINC000529213805 405752653 /nfs/dbraw/zinc/75/26/53/405752653.db2.gz ODDJRIWZSHYXDT-UHFFFAOYSA-N 0 3 314.389 2.088 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000450293005 405819910 /nfs/dbraw/zinc/81/99/10/405819910.db2.gz XRQFEMRDJJQIGI-SJORKVTESA-N 0 3 308.385 2.022 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000457491932 405866149 /nfs/dbraw/zinc/86/61/49/405866149.db2.gz OSPOSIGOVFNNTB-MRXNPFEDSA-N 0 3 314.433 2.452 20 30 DEEDHN CC(=NNC1CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000495879678 405938923 /nfs/dbraw/zinc/93/89/23/405938923.db2.gz VYRANOITTKNGLF-UHFFFAOYSA-N 0 3 316.405 2.051 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(C)ccnc2OCC)CC1 ZINC000434112526 406022076 /nfs/dbraw/zinc/02/20/76/406022076.db2.gz XDYGYSRVXWRRJR-UHFFFAOYSA-N 0 3 303.406 2.169 20 30 DEEDHN CCCCO[C@H]1C[C@H](NCC(=O)N(CC)CCC#N)C1(C)C ZINC000450975098 406008285 /nfs/dbraw/zinc/00/82/85/406008285.db2.gz WGYXBYNPNDLYCJ-GJZGRUSLSA-N 0 3 309.454 2.322 20 30 DEEDHN CC#CCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000462310369 406084222 /nfs/dbraw/zinc/08/42/22/406084222.db2.gz GLCRSKXRNJMURS-OAHLLOKOSA-N 0 3 300.402 2.397 20 30 DEEDHN C=CCCCCN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000567337781 406095861 /nfs/dbraw/zinc/09/58/61/406095861.db2.gz KTVDTWJCZSKQOH-AWEZNQCLSA-N 0 3 300.468 2.137 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451083910 406045856 /nfs/dbraw/zinc/04/58/56/406045856.db2.gz QCMJOXISDUNIOT-HZPDHXFCSA-N 0 3 307.482 2.216 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc2c1CCNC2 ZINC000514783225 406054629 /nfs/dbraw/zinc/05/46/29/406054629.db2.gz PIVXZSGNFNXQFH-CVEARBPZSA-N 0 3 301.390 2.187 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000565345246 406071916 /nfs/dbraw/zinc/07/19/16/406071916.db2.gz YERAZIMTVQBUFY-KGLIPLIRSA-N 0 3 320.437 2.208 20 30 DEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCC1(C#N)CC1 ZINC000565399314 406072359 /nfs/dbraw/zinc/07/23/59/406072359.db2.gz NPLRZUSLPNUJQF-UHFFFAOYSA-N 0 3 318.396 2.203 20 30 DEEDHN Cc1cc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000516844703 406106444 /nfs/dbraw/zinc/10/64/44/406106444.db2.gz FBFPVXQMKZLMFD-HOTGVXAUSA-N 0 3 306.431 2.312 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000632617287 406201906 /nfs/dbraw/zinc/20/19/06/406201906.db2.gz UMIKSNIAJYSJAV-DOTOQJQBSA-N 0 3 322.474 2.250 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(CCC#N)CC2)C1 ZINC000569098308 406224411 /nfs/dbraw/zinc/22/44/11/406224411.db2.gz BHTQQQYSQSMFMK-GDBMZVCRSA-N 0 3 306.454 2.440 20 30 DEEDHN COC(=O)c1ccc(N[C@@H](C)CN2CCC[C@H](C)C2)c(C#N)n1 ZINC000519659875 406230758 /nfs/dbraw/zinc/23/07/58/406230758.db2.gz YIOSMKWCLARMMZ-STQMWFEESA-N 0 3 316.405 2.272 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncc(C)cc2OC)CC1 ZINC000488858987 406355461 /nfs/dbraw/zinc/35/54/61/406355461.db2.gz RVPKYUPTPODMME-UHFFFAOYSA-N 0 3 303.406 2.169 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2ccccc2F)s1 ZINC000570201945 406361128 /nfs/dbraw/zinc/36/11/28/406361128.db2.gz OKYQOUVZWDOQLX-CYBMUJFWSA-N 0 3 320.389 2.426 20 30 DEEDHN Cc1nc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)ccc1C#N ZINC000547257670 406394569 /nfs/dbraw/zinc/39/45/69/406394569.db2.gz PKHNNTGHTVONTA-CHWSQXEVSA-N 0 3 322.372 2.167 20 30 DEEDHN COCCN(Cc1ccc(OC)c(C#N)c1)[C@H]1CCO[C@@H]1C ZINC000489438573 406406783 /nfs/dbraw/zinc/40/67/83/406406783.db2.gz XNKULOOIBPHTST-CJNGLKHVSA-N 0 3 304.390 2.193 20 30 DEEDHN CC(C)N(CCC#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522585589 406407821 /nfs/dbraw/zinc/40/78/21/406407821.db2.gz SBNDMRBPEOWCTB-KRWDZBQOSA-N 0 3 314.433 2.444 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000489805997 406431911 /nfs/dbraw/zinc/43/19/11/406431911.db2.gz PGYYVXBVLOKGEL-QGZVFWFLSA-N 0 3 322.474 2.394 20 30 DEEDHN C=CCCCS(=O)(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000489094818 406377314 /nfs/dbraw/zinc/37/73/14/406377314.db2.gz CNAUFNJQKBEHON-CQSZACIVSA-N 0 3 302.484 2.383 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000490616327 406474245 /nfs/dbraw/zinc/47/42/45/406474245.db2.gz KESBNEQMCJCVRT-UONOGXRCSA-N 0 3 320.458 2.214 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000490690400 406482675 /nfs/dbraw/zinc/48/26/75/406482675.db2.gz RIWTXDYVAANLOI-UHFFFAOYSA-N 0 3 323.440 2.319 20 30 DEEDHN C=CCCCS(=O)(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490437386 406465186 /nfs/dbraw/zinc/46/51/86/406465186.db2.gz IJIDGQPHPUZYHT-CQSZACIVSA-N 0 3 300.468 2.089 20 30 DEEDHN C#CCNC(=O)C1CCN(CCOc2cccc(CC)c2)CC1 ZINC000491155445 406535354 /nfs/dbraw/zinc/53/53/54/406535354.db2.gz REZRLKQZTRNJKN-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCNC(=O)CCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000491164415 406536291 /nfs/dbraw/zinc/53/62/91/406536291.db2.gz BNDLDUKVJBVPAY-GFCCVEGCSA-N 0 3 302.340 2.180 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640565110 406546079 /nfs/dbraw/zinc/54/60/79/406546079.db2.gz YEMHKKIYFXVTCT-ZNMIVQPWSA-N 0 3 317.351 2.438 20 30 DEEDHN C#C[C@H](NC(=O)NCc1ccccc1OCCN(C)C)C(C)C ZINC000491012411 406518881 /nfs/dbraw/zinc/51/88/81/406518881.db2.gz CIXZESSFORRJGA-INIZCTEOSA-N 0 3 317.433 2.084 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C#C)c2ccc(Cl)cc2)CC1 ZINC000491475287 406601437 /nfs/dbraw/zinc/60/14/37/406601437.db2.gz VJGFBQZXHNXDSS-KRWDZBQOSA-N 0 3 314.816 2.476 20 30 DEEDHN C#C[C@@H](NC(=O)NCC(C)(C)N1CCC(OC)CC1)C(C)(C)C ZINC000491524499 406610604 /nfs/dbraw/zinc/61/06/04/406610604.db2.gz MEKGBPQPZWOEKB-OAHLLOKOSA-N 0 3 323.481 2.223 20 30 DEEDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000572131899 406611462 /nfs/dbraw/zinc/61/14/62/406611462.db2.gz RFQVJCIPPQZFHW-NUEKZKHPSA-N 0 3 315.417 2.071 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(OC/C=C\C)c1 ZINC000491536265 406614056 /nfs/dbraw/zinc/61/40/56/406614056.db2.gz IWFKRGJCSIGJCB-XQRVVYSFSA-N 0 3 314.429 2.255 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000491540142 406615591 /nfs/dbraw/zinc/61/55/91/406615591.db2.gz PGKQDHGNCNLRHZ-OLZOCXBDSA-N 0 3 309.410 2.252 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000491540144 406615791 /nfs/dbraw/zinc/61/57/91/406615791.db2.gz PGKQDHGNCNLRHZ-STQMWFEESA-N 0 3 309.410 2.252 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000491348731 406572776 /nfs/dbraw/zinc/57/27/76/406572776.db2.gz FFZFYCOKRLEDOP-MAUKXSAKSA-N 0 3 311.429 2.314 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C2(c3cc(C)no3)CC2)CC1 ZINC000635530651 406576095 /nfs/dbraw/zinc/57/60/95/406576095.db2.gz GZLRJAKCXKSPJF-UHFFFAOYSA-N 0 3 303.406 2.171 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635531594 406577332 /nfs/dbraw/zinc/57/73/32/406577332.db2.gz USZLRNSEUWSBRQ-KRWDZBQOSA-N 0 3 305.466 2.160 20 30 DEEDHN C#CCN(C1CCCC1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000491372958 406579601 /nfs/dbraw/zinc/57/96/01/406579601.db2.gz LICGGEIRAJDCKX-CYBMUJFWSA-N 0 3 302.340 2.418 20 30 DEEDHN C#CCNC(=O)CCNCc1sc(-c2ccccc2)nc1C ZINC000491382292 406582127 /nfs/dbraw/zinc/58/21/27/406582127.db2.gz HZWALEGANNUXOS-UHFFFAOYSA-N 0 3 313.426 2.348 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@](C)(OC)c2ccccc2)CC1 ZINC000491392939 406584112 /nfs/dbraw/zinc/58/41/12/406584112.db2.gz FNPPYXSTVCCKEK-LJQANCHMSA-N 0 3 314.429 2.010 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cc(C)ccc1C ZINC000491676798 406664573 /nfs/dbraw/zinc/66/45/73/406664573.db2.gz ZJZRAIIZVUVYIK-UHFFFAOYSA-N 0 3 301.434 2.400 20 30 DEEDHN C#C[C@H](C)N(C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000491699185 406674890 /nfs/dbraw/zinc/67/48/90/406674890.db2.gz DOHHIPFSGUPRNM-HNNXBMFYSA-N 0 3 315.486 2.479 20 30 DEEDHN C#C[C@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000491699994 406675714 /nfs/dbraw/zinc/67/57/14/406675714.db2.gz VFQLYLKHLUARSI-SFHVURJKSA-N 0 3 312.413 2.147 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000491700484 406677432 /nfs/dbraw/zinc/67/74/32/406677432.db2.gz GIGSWFMUQXNBMF-GOSISDBHSA-N 0 3 314.429 2.266 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccnc(Cl)c2)CC1 ZINC000491710986 406682059 /nfs/dbraw/zinc/68/20/59/406682059.db2.gz VPMCAIBZQWGJHO-GFCCVEGCSA-N 0 3 305.809 2.257 20 30 DEEDHN C#CCNC(=O)CCNCc1ccnc(OC2CCCCC2)c1 ZINC000491729855 406691686 /nfs/dbraw/zinc/69/16/86/406691686.db2.gz OFNSOTSLRPCGCC-UHFFFAOYSA-N 0 3 315.417 2.022 20 30 DEEDHN CN(C)CCOC1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000572332423 406644276 /nfs/dbraw/zinc/64/42/76/406644276.db2.gz JVNRTXSNCMZBIT-SFHVURJKSA-N 0 3 319.449 2.030 20 30 DEEDHN C#CCN(C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000491813628 406733202 /nfs/dbraw/zinc/73/32/02/406733202.db2.gz BGQQJPNWZUPDSQ-MRXNPFEDSA-N 0 3 322.449 2.092 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000491815970 406734407 /nfs/dbraw/zinc/73/44/07/406734407.db2.gz RCXAHATVQJLJDR-AWEZNQCLSA-N 0 3 321.808 2.028 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000491805816 406728812 /nfs/dbraw/zinc/72/88/12/406728812.db2.gz PFUXOSVBFZFTKP-JKSUJKDBSA-N 0 3 305.397 2.385 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CCCC[C@@H]2CN(C)C)s1 ZINC000129403741 196045796 /nfs/dbraw/zinc/04/57/96/196045796.db2.gz HECVAHLPIDPAKJ-GFCCVEGCSA-N 0 3 308.451 2.297 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(CCOC)CCCC2)CC1 ZINC000132841194 196288725 /nfs/dbraw/zinc/28/87/25/196288725.db2.gz ZDVQKYPRKBXLPN-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN N#C[C@H]1COCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000267165091 225349433 /nfs/dbraw/zinc/34/94/33/225349433.db2.gz KZEKJVDPZXUNAC-KRWDZBQOSA-N 0 3 313.401 2.037 20 30 DEEDHN Cc1noc(C)c1CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329326338 225864489 /nfs/dbraw/zinc/86/44/89/225864489.db2.gz UDDXIJMGDIGIDT-OAHLLOKOSA-N 0 3 320.437 2.308 20 30 DEEDHN COc1cc(OC)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000330898312 226041589 /nfs/dbraw/zinc/04/15/89/226041589.db2.gz IGAWWKSUVQTOSC-NWDGAFQWSA-N 0 3 322.405 2.500 20 30 DEEDHN CN(C(=O)NCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000331163910 226065862 /nfs/dbraw/zinc/06/58/62/226065862.db2.gz RZBXPJKYRJERDV-MRXNPFEDSA-N 0 3 300.406 2.410 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000337616408 226139578 /nfs/dbraw/zinc/13/95/78/226139578.db2.gz CWAJYNRAQUSJTO-CYBMUJFWSA-N 0 3 302.374 2.158 20 30 DEEDHN COC[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000377933001 227204852 /nfs/dbraw/zinc/20/48/52/227204852.db2.gz SFXCLXDXNLPUIW-QLOLRVAOSA-N 0 3 300.402 2.394 20 30 DEEDHN Cc1nc(C)c(CN(C)CCCc2[nH]nc(N)c2C#N)s1 ZINC000536338423 421717923 /nfs/dbraw/zinc/71/79/23/421717923.db2.gz GAVTWDBAVWLQHN-UHFFFAOYSA-N 0 3 304.423 2.002 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530027068 269996637 /nfs/dbraw/zinc/99/66/37/269996637.db2.gz LZQQODWBUBEBDJ-OAHLLOKOSA-N 0 3 315.392 2.373 20 30 DEEDHN CCC[C@H]1CN(Cc2cccc(C#N)c2)CCN1CCOC ZINC000179670487 266080778 /nfs/dbraw/zinc/08/07/78/266080778.db2.gz KBDGADOJWKNUSM-SFHVURJKSA-N 0 3 301.434 2.491 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000378313933 424906292 /nfs/dbraw/zinc/90/62/92/424906292.db2.gz HITFFJHNGHQLAM-VQIMIIECSA-N 0 3 312.461 2.016 20 30 DEEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CN1Cc1ccccc1 ZINC000563636734 424899228 /nfs/dbraw/zinc/89/92/28/424899228.db2.gz PSFMTYLGHQAICN-CJNGLKHVSA-N 0 3 307.401 2.610 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)nc1 ZINC000593052645 425006928 /nfs/dbraw/zinc/00/69/28/425006928.db2.gz SIOYCHSOJXBJAR-MNOVXSKESA-N 0 3 313.279 2.639 20 30 DEEDHN N#Cc1cnnc(N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000596136456 425019178 /nfs/dbraw/zinc/01/91/78/425019178.db2.gz HZMOBWWKQUGXCK-QGZVFWFLSA-N 0 3 307.401 2.987 20 30 DEEDHN C=CCN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1 ZINC000649573051 425044470 /nfs/dbraw/zinc/04/44/70/425044470.db2.gz RGHMGHSHISNODZ-UHFFFAOYSA-N 0 3 306.431 2.278 20 30 DEEDHN C=CCC(C)(C)CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000455298368 425097027 /nfs/dbraw/zinc/09/70/27/425097027.db2.gz BBMJXKSYSBTLDS-UHFFFAOYSA-N 0 3 319.453 2.874 20 30 DEEDHN C=CCC1(NC(=O)NC2CCN(CCN(C)C)CC2)CCCC1 ZINC000663578702 425190102 /nfs/dbraw/zinc/19/01/02/425190102.db2.gz KFEZLRWMOKLJBE-UHFFFAOYSA-N 0 3 322.497 2.201 20 30 DEEDHN CC(C)(O)CN(Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC000530699108 266891547 /nfs/dbraw/zinc/89/15/47/266891547.db2.gz OOCXKVFYZOYTMP-UHFFFAOYSA-N 0 3 306.381 2.449 20 30 DEEDHN C=CCC1(NCc2ccc(S(N)(=O)=O)cc2F)CCCC1 ZINC000657703119 425389421 /nfs/dbraw/zinc/38/94/21/425389421.db2.gz UFBRUDVHOPUVQE-UHFFFAOYSA-N 0 3 312.410 2.452 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662112002 425568390 /nfs/dbraw/zinc/56/83/90/425568390.db2.gz CJSDODNEXYSLMB-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@](C)(O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000665444404 425574671 /nfs/dbraw/zinc/57/46/71/425574671.db2.gz JLIYTTHJEDPILS-GOSISDBHSA-N 0 3 317.433 2.012 20 30 DEEDHN C=C[C@H](CO)NC[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000662167524 425580533 /nfs/dbraw/zinc/58/05/33/425580533.db2.gz HHTFDSDEBXWOAU-CVEARBPZSA-N 0 3 307.434 2.169 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000665563327 425597494 /nfs/dbraw/zinc/59/74/94/425597494.db2.gz LQVUETADQMDLTB-GOSISDBHSA-N 0 3 302.418 2.226 20 30 DEEDHN C=CCNC(=O)CN1CCN(C[C@H]2CCCCC2(C)C)CC1 ZINC000659810646 425656095 /nfs/dbraw/zinc/65/60/95/425656095.db2.gz NQYOCDCMBJBMDK-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCn1c(COCC)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655616371 425612956 /nfs/dbraw/zinc/61/29/56/425612956.db2.gz LANYTTFAGXWWAC-UHFFFAOYSA-N 0 3 321.469 2.311 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662316907 425621480 /nfs/dbraw/zinc/62/14/80/425621480.db2.gz XKRDMHMQQPRXJE-YTQUADARSA-N 0 3 318.461 2.468 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(CCN(C)C)c1 ZINC000666239225 425722945 /nfs/dbraw/zinc/72/29/45/425722945.db2.gz UIQBQEWBFWSAHI-GASCZTMLSA-N 0 3 303.410 2.160 20 30 DEEDHN C=CCC1(NC(=O)C[C@H]2NCc3ccccc32)CCOCC1 ZINC000662873245 425753815 /nfs/dbraw/zinc/75/38/15/425753815.db2.gz IFNJODOCAKACNL-MRXNPFEDSA-N 0 3 300.402 2.463 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000514837100 269333128 /nfs/dbraw/zinc/33/31/28/269333128.db2.gz ROIUQEIRTSGHTE-HRCADAONSA-N 0 3 313.401 2.067 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000451634300 274063232 /nfs/dbraw/zinc/06/32/32/274063232.db2.gz TZCBMUSBFJVRTJ-ZLKJLUDKSA-N 0 3 305.378 2.252 20 30 DEEDHN CS[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1N(C)C ZINC000286085982 274183400 /nfs/dbraw/zinc/18/34/00/274183400.db2.gz BYLUDJCTPTZPCC-VXNVDRBHSA-N 0 3 302.856 2.150 20 30 DEEDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000186775633 274485077 /nfs/dbraw/zinc/48/50/77/274485077.db2.gz GANPGUYCWULMON-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN C#CCOCCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000378261947 275384652 /nfs/dbraw/zinc/38/46/52/275384652.db2.gz CQPXZUZHVOTNBV-UHFFFAOYSA-N 0 3 314.429 2.149 20 30 DEEDHN C=CC[C@H](CO)CNCc1c(Cl)cccc1N1CCOCC1 ZINC000339338704 275434037 /nfs/dbraw/zinc/43/40/37/275434037.db2.gz SMWDNHWUGWVTEH-AWEZNQCLSA-N 0 3 324.852 2.451 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000459043713 275751180 /nfs/dbraw/zinc/75/11/80/275751180.db2.gz PDPIDVLEWQFRKJ-SJORKVTESA-N 0 3 321.465 2.380 20 30 DEEDHN CCN(C)CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419452055 276069981 /nfs/dbraw/zinc/06/99/81/276069981.db2.gz VTUGPEIGNLAHOU-INIZCTEOSA-N 0 3 300.406 2.187 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000437987001 276875824 /nfs/dbraw/zinc/87/58/24/276875824.db2.gz OEHDVVQUQVUYPN-DOTOQJQBSA-N 0 3 321.465 2.237 20 30 DEEDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000362714334 277233160 /nfs/dbraw/zinc/23/31/60/277233160.db2.gz DMVSHGKASHUWQN-IAOVAPTHSA-N 0 3 304.390 2.029 20 30 DEEDHN CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nn1 ZINC000330048210 277282120 /nfs/dbraw/zinc/28/21/20/277282120.db2.gz JXIXPHPYRBOFJW-GFCCVEGCSA-N 0 3 305.426 2.355 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000429502271 277283362 /nfs/dbraw/zinc/28/33/62/277283362.db2.gz CMLRNWLHRQTRDV-LSDHHAIUSA-N 0 3 307.438 2.218 20 30 DEEDHN COC(=O)CCN1CCN(CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411476056 277318240 /nfs/dbraw/zinc/31/82/40/277318240.db2.gz BGHPCZMZHCEJHZ-MRXNPFEDSA-N 0 3 321.465 2.420 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001088924546 782050739 /nfs/dbraw/zinc/05/07/39/782050739.db2.gz ZJMQRRRDLKDTAX-GLQYFDAESA-N 0 3 304.438 2.285 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000451603520 277904955 /nfs/dbraw/zinc/90/49/55/277904955.db2.gz DGNJZIQEDGKASY-MMADZMRASA-N 0 3 306.450 2.489 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccccc2OCC#N)CCN(C2CC2)C1 ZINC000295362944 288049136 /nfs/dbraw/zinc/04/91/36/288049136.db2.gz ODXXXJYDLASFFE-AWEZNQCLSA-N 0 3 313.401 2.145 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329424188 288114483 /nfs/dbraw/zinc/11/44/83/288114483.db2.gz IBHHKGLPLLZKLG-KCXAZCMYSA-N 0 3 317.437 2.333 20 30 DEEDHN CCN1CCN(CCNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)CC1 ZINC000329362205 279354060 /nfs/dbraw/zinc/35/40/60/279354060.db2.gz YWVSGNYDZOYFKT-CABCVRRESA-N 0 3 323.481 2.222 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)NCC3CCC(C#N)CC3)C2)C1 ZINC000366270639 290248109 /nfs/dbraw/zinc/24/81/09/290248109.db2.gz SJLMBLPHLAOJMB-DQPZFDDXSA-N 0 3 304.438 2.054 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330241897 295377918 /nfs/dbraw/zinc/37/79/18/295377918.db2.gz JERILXIHVLVIHR-HZMVEIRTSA-N 0 3 321.465 2.465 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)CN1CCCCC1 ZINC000329620740 298245718 /nfs/dbraw/zinc/24/57/18/298245718.db2.gz UGELQGALPKYDFH-KGLIPLIRSA-N 0 3 316.467 2.032 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCOc2ccccc2)C[C@H]1C ZINC001328284952 1148766608 /nfs/dbraw/zinc/76/66/08/1148766608.db2.gz PYBKLVLJMSKNIW-IAGOWNOFSA-N 0 3 314.429 2.448 20 30 DEEDHN C[C@@H]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000574237733 326135908 /nfs/dbraw/zinc/13/59/08/326135908.db2.gz UTGDIIOCFKQGMX-KGLIPLIRSA-N 0 3 321.446 2.143 20 30 DEEDHN N#Cc1cccc(CCNCc2cnc(N3CCCC3)nc2)c1 ZINC000575055037 326214605 /nfs/dbraw/zinc/21/46/05/326214605.db2.gz KVALVGHYVZXAHR-UHFFFAOYSA-N 0 3 307.401 2.281 20 30 DEEDHN CSc1ccc([C@H](CNc2ncncc2C#N)N(C)C)cc1 ZINC000575744303 326242352 /nfs/dbraw/zinc/24/23/52/326242352.db2.gz PCYRVMBAWLMJAW-HNNXBMFYSA-N 0 3 313.430 2.207 20 30 DEEDHN Cc1cc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc(C)n1 ZINC000575982237 326260464 /nfs/dbraw/zinc/26/04/64/326260464.db2.gz LZKQZVKSHSWFNQ-QGZVFWFLSA-N 0 3 311.385 2.100 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](N)CC(C)C)cc(OC)c1OC ZINC000237130586 332313464 /nfs/dbraw/zinc/31/34/64/332313464.db2.gz RFEZPOJPSVNKIG-HNNXBMFYSA-N 0 3 320.433 2.422 20 30 DEEDHN CO[C@H]1C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCC2 ZINC000560602254 332368002 /nfs/dbraw/zinc/36/80/02/332368002.db2.gz XAQJNDVCTDEHSE-CABCVRRESA-N 0 3 319.449 2.218 20 30 DEEDHN CO[C@H]1C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCC2 ZINC000560602255 332368190 /nfs/dbraw/zinc/36/81/90/332368190.db2.gz XAQJNDVCTDEHSE-GJZGRUSLSA-N 0 3 319.449 2.218 20 30 DEEDHN C[C@H](NC(=O)c1ccc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000187200361 332962256 /nfs/dbraw/zinc/96/22/56/332962256.db2.gz SUEXVVMHVUPLNY-GUYCJALGSA-N 0 3 308.385 2.374 20 30 DEEDHN CC(=O)Nc1ccc(CN2CCC(NCCC#N)CC2)cc1 ZINC000580305429 333084784 /nfs/dbraw/zinc/08/47/84/333084784.db2.gz CJOHHXRQXQHXSN-UHFFFAOYSA-N 0 3 300.406 2.113 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCc2sccc21 ZINC000296975432 335150476 /nfs/dbraw/zinc/15/04/76/335150476.db2.gz RSBCAQZVNBXZPF-AWEZNQCLSA-N 0 3 305.447 2.380 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000332602078 336175804 /nfs/dbraw/zinc/17/58/04/336175804.db2.gz LKXRIUXBDICISV-QQFBHYJXSA-N 0 3 306.454 2.347 20 30 DEEDHN CCCN(CCN(C)C)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000104530309 336254383 /nfs/dbraw/zinc/25/43/83/336254383.db2.gz APACOSOPUCOEDY-JXMROGBWSA-N 0 3 315.417 2.402 20 30 DEEDHN CC[C@H](CC#N)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000354770910 336481698 /nfs/dbraw/zinc/48/16/98/336481698.db2.gz JDHASROOIKOBIJ-CYBMUJFWSA-N 0 3 304.394 2.441 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C(C)(F)F)cc1 ZINC000582481617 337096678 /nfs/dbraw/zinc/09/66/78/337096678.db2.gz BCTQFPGOXSTHJY-OAHLLOKOSA-N 0 3 311.376 2.094 20 30 DEEDHN C=CC[C@H]1N(CC(=O)N(C)Cc2cnn(C)c2)CCCC1(C)C ZINC000582705020 337122383 /nfs/dbraw/zinc/12/23/83/337122383.db2.gz IMZIIDJAMDDHKZ-MRXNPFEDSA-N 0 3 318.465 2.445 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000582886549 337215094 /nfs/dbraw/zinc/21/50/94/337215094.db2.gz CXADSEJYFIRPOW-CEEVZKBLSA-N 0 3 301.434 2.305 20 30 DEEDHN Cc1ccc(SC[C@@H](C)NC[C@@H](O)CN(C)CCC#N)cc1 ZINC000583748651 337328854 /nfs/dbraw/zinc/32/88/54/337328854.db2.gz QGDNGYZZNIQBAY-HZPDHXFCSA-N 0 3 321.490 2.272 20 30 DEEDHN CN1CCC(NN=C2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000496212354 340000657 /nfs/dbraw/zinc/00/06/57/340000657.db2.gz KNZZNUBHNUSQAG-ZDUSSCGKSA-N 0 3 324.469 2.349 20 30 DEEDHN CC(C)(C#N)CCN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000496400891 340004655 /nfs/dbraw/zinc/00/46/55/340004655.db2.gz WNFAKFACBQNOKW-LSDHHAIUSA-N 0 3 323.437 2.296 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496595475 340008502 /nfs/dbraw/zinc/00/85/02/340008502.db2.gz KTQBABQHAKHLRV-MCIONIFRSA-N 0 3 311.426 2.293 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@H]1CN(CCCCC#N)CCCO1 ZINC000496780949 340012802 /nfs/dbraw/zinc/01/28/02/340012802.db2.gz ITDMVUWXKWOQHS-AWEZNQCLSA-N 0 3 311.426 2.296 20 30 DEEDHN COC(=O)N1CCC[C@@H]([C@@H](C)NCC#Cc2ccccc2)C1 ZINC000496826863 340013988 /nfs/dbraw/zinc/01/39/88/340013988.db2.gz HYUPTARKZAKMBZ-NVXWUHKLSA-N 0 3 300.402 2.495 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000497081539 340019791 /nfs/dbraw/zinc/01/97/91/340019791.db2.gz NEGWBVNOWIRPMQ-UPJWGTAASA-N 0 3 307.394 2.004 20 30 DEEDHN CSC1(CNC(=O)N2CCC(CC#N)CC2)CCN(C)CC1 ZINC000565866849 341540642 /nfs/dbraw/zinc/54/06/42/341540642.db2.gz SDTBXMBQAFPSJB-UHFFFAOYSA-N 0 3 324.494 2.149 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnccc2C(F)(F)F)CC1 ZINC000576476964 341848437 /nfs/dbraw/zinc/84/84/37/341848437.db2.gz PTOUWUOBKUEYIB-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1ccc(Cl)cc1 ZINC000577587240 341920796 /nfs/dbraw/zinc/92/07/96/341920796.db2.gz XDWHJRXPVBADIW-CABCVRRESA-N 0 3 308.809 2.279 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2cn[nH]c2)CCCC1 ZINC001378365989 1152306343 /nfs/dbraw/zinc/30/63/43/1152306343.db2.gz OSESQGJXFWXBCT-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001377510732 1160446983 /nfs/dbraw/zinc/44/69/83/1160446983.db2.gz OCCJKYWCABMXRC-HNNXBMFYSA-N 0 3 315.889 2.442 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccncc2C)C(C)(C)C1 ZINC001330193893 1149066811 /nfs/dbraw/zinc/06/68/11/1149066811.db2.gz SQLXMTKFKUKYKS-MRXNPFEDSA-N 0 3 317.433 2.033 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H](F)Cc2ccccc2)C(C)(C)C1 ZINC001330260693 1149082078 /nfs/dbraw/zinc/08/20/78/1149082078.db2.gz DAJDMHJVWUCRJJ-SJORKVTESA-N 0 3 316.420 2.417 20 30 DEEDHN C/C=C(/C)C(=O)NCC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001330280679 1149084638 /nfs/dbraw/zinc/08/46/38/1149084638.db2.gz NQZRBKHAXJTZBV-WXEHDKPXSA-N 0 3 309.413 2.318 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](CC(C)C)NC(C)=O ZINC001401266309 1161909684 /nfs/dbraw/zinc/90/96/84/1161909684.db2.gz FMSNPDODNYQLOO-MRXNPFEDSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)OCC(C)C)C1 ZINC001378821344 1152457709 /nfs/dbraw/zinc/45/77/09/1152457709.db2.gz ZKNOGSUOLJBAKY-MGPQQGTHSA-N 0 3 302.846 2.284 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC001330360595 1149099178 /nfs/dbraw/zinc/09/91/78/1149099178.db2.gz QPDHUKDZQDYVSN-OSYLJGHBSA-N 0 3 316.832 2.200 20 30 DEEDHN COC(=O)c1cn([C@H]2CCN(CCCCC(C)(C)C#N)C2)nn1 ZINC000375716198 534305048 /nfs/dbraw/zinc/30/50/48/534305048.db2.gz AATXYJYTWGFAKH-ZDUSSCGKSA-N 0 3 319.409 2.032 20 30 DEEDHN Cc1noc(C)c1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000331327450 534328201 /nfs/dbraw/zinc/32/82/01/534328201.db2.gz PHMJWTMFTBAYMH-CQSZACIVSA-N 0 3 308.426 2.415 20 30 DEEDHN COc1ccc(CN(C)C[C@@H]2CCCCN2C(C)=O)cc1C#N ZINC001089089963 782161496 /nfs/dbraw/zinc/16/14/96/782161496.db2.gz CSAVWHUKFQIJFB-KRWDZBQOSA-N 0 3 315.417 2.400 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000157767436 521635242 /nfs/dbraw/zinc/63/52/42/521635242.db2.gz OUDOUBXZFILAKM-OAHLLOKOSA-N 0 3 315.417 2.316 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1OCC(=O)OC ZINC000453373893 534610517 /nfs/dbraw/zinc/61/05/17/534610517.db2.gz VWGUUKVDXWWUKC-CFVMTHIKSA-N 0 3 305.374 2.233 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1CSCCN1 ZINC000237269849 526337768 /nfs/dbraw/zinc/33/77/68/526337768.db2.gz ZTOUVFVMKYSTLU-OAHLLOKOSA-N 0 3 320.458 2.305 20 30 DEEDHN C=CCN1CCC(NC(=O)CSCc2cscn2)CC1 ZINC000178542018 526422441 /nfs/dbraw/zinc/42/24/41/526422441.db2.gz WVUMJIZXKUHNQS-UHFFFAOYSA-N 0 3 311.476 2.143 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000413248610 526591120 /nfs/dbraw/zinc/59/11/20/526591120.db2.gz XMECRHRIOYKGNH-KKUMJFAQSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552221 526624194 /nfs/dbraw/zinc/62/41/94/526624194.db2.gz PWYVUZUOTFMHBO-DLBZAZTESA-N 0 3 315.461 2.131 20 30 DEEDHN C=CCNc1ncc(C(=O)N(C)CC2(N(C)C)CCC2)s1 ZINC000190153556 526679015 /nfs/dbraw/zinc/67/90/15/526679015.db2.gz NXTHVKURWYMQIT-UHFFFAOYSA-N 0 3 308.451 2.297 20 30 DEEDHN C=C(C)[C@H](NC[C@H](O)COCCOC)c1ccc(F)c(F)c1 ZINC000295727416 526820113 /nfs/dbraw/zinc/82/01/13/526820113.db2.gz LQPFLXOPMFQVAY-BBRMVZONSA-N 0 3 315.360 2.196 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC000418169864 526876660 /nfs/dbraw/zinc/87/66/60/526876660.db2.gz QNNJAPNVIOOGNC-ZIAGYGMSSA-N 0 3 303.406 2.143 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cc(F)ccc2OC)CC1 ZINC000299157243 526929335 /nfs/dbraw/zinc/92/93/35/526929335.db2.gz NBXOUDNMVKCGKT-CYBMUJFWSA-N 0 3 318.392 2.357 20 30 DEEDHN C#CCOCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000124815497 527067251 /nfs/dbraw/zinc/06/72/51/527067251.db2.gz JIIACDYWOSHUCZ-UHFFFAOYSA-N 0 3 320.458 2.116 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000337863652 527269811 /nfs/dbraw/zinc/26/98/11/527269811.db2.gz OSMBLOUAOUYESM-HNNXBMFYSA-N 0 3 314.437 2.236 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000341022391 527457964 /nfs/dbraw/zinc/45/79/64/527457964.db2.gz VTJUWYRGYOZNOL-MOPGFXCFSA-N 0 3 318.461 2.285 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc2n(n1)CCC2)C(C)C ZINC000294894792 527649716 /nfs/dbraw/zinc/64/97/16/527649716.db2.gz GHTRQSIBIPINTD-QGZVFWFLSA-N 0 3 316.449 2.258 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000330787638 527934194 /nfs/dbraw/zinc/93/41/94/527934194.db2.gz XKZRJXUQAYTWEJ-DYVFJYSZSA-N 0 3 317.437 2.032 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000330787639 527935951 /nfs/dbraw/zinc/93/59/51/527935951.db2.gz XKZRJXUQAYTWEJ-GUYCJALGSA-N 0 3 317.437 2.032 20 30 DEEDHN CC1CCN(CCNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000292920430 528247046 /nfs/dbraw/zinc/24/70/46/528247046.db2.gz XSXKKDWJFRHWTD-UHFFFAOYSA-N 0 3 314.433 2.086 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCO[C@H]1CC(C)C ZINC000249469725 528697405 /nfs/dbraw/zinc/69/74/05/528697405.db2.gz UCEYDIYWVPVMMK-PMPSAXMXSA-N 0 3 309.454 2.178 20 30 DEEDHN CCN1CCC(NC(=O)N2CCC[C@@]2(CO)CC(C)C)CC1 ZINC000331013407 528958270 /nfs/dbraw/zinc/95/82/70/528958270.db2.gz KJZWCNJWPCKGAX-KRWDZBQOSA-N 0 3 311.470 2.258 20 30 DEEDHN CCN1CCC(NC(=O)Nc2cccc3c2OCCC3=O)CC1 ZINC000329339457 528959451 /nfs/dbraw/zinc/95/94/51/528959451.db2.gz NSDIHIWQFQVWKY-UHFFFAOYSA-N 0 3 317.389 2.462 20 30 DEEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N(CCC#N)CCC#N ZINC000189506711 529211518 /nfs/dbraw/zinc/21/15/18/529211518.db2.gz IZLFLOJJJNVIFX-HUUCEWRRSA-N 0 3 322.478 2.296 20 30 DEEDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccccc1C#N)N(C)C ZINC000188209835 535109618 /nfs/dbraw/zinc/10/96/18/535109618.db2.gz PBLUTKSVICTXNW-OAHLLOKOSA-N 0 3 323.462 2.203 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)c2cnccc2C#N)c1 ZINC000358410154 535913191 /nfs/dbraw/zinc/91/31/91/535913191.db2.gz MXIJMORJHQTPRN-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000451730601 536139946 /nfs/dbraw/zinc/13/99/46/536139946.db2.gz PHCBZRMIDXOVPT-KRWDZBQOSA-N 0 3 314.433 2.303 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001358853528 1152503847 /nfs/dbraw/zinc/50/38/47/1152503847.db2.gz WDKAZYLDUJBVLB-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN CN1CC[C@@H]2CN(Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC000451627790 536466734 /nfs/dbraw/zinc/46/67/34/536466734.db2.gz YVPMRKGONBLOBM-DOMZBBRYSA-N 0 3 320.234 2.457 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001369746583 1149137284 /nfs/dbraw/zinc/13/72/84/1149137284.db2.gz JOIAZVDAZQBFEN-BXUZGUMPSA-N 0 3 310.829 2.443 20 30 DEEDHN C=CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001327513227 1148574666 /nfs/dbraw/zinc/57/46/66/1148574666.db2.gz PMFZNSDZWBDDOM-ZWKOTPCHSA-N 0 3 315.461 2.056 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSC(F)F)c1 ZINC000835061535 649873723 /nfs/dbraw/zinc/87/37/23/649873723.db2.gz MTROBPPFMIZYSQ-JTQLQIEISA-N 0 3 314.313 2.298 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835066552 649874321 /nfs/dbraw/zinc/87/43/21/649874321.db2.gz YDJVRSKLFJRHCR-KOLCDFICSA-N 0 3 322.723 2.165 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CCOCC(C)C)C[C@]2(C)C1 ZINC001330515182 1149174450 /nfs/dbraw/zinc/17/44/50/1149174450.db2.gz VXMRMBKKDPIYSR-KDURUIRLSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC[N@@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000735413208 598986553 /nfs/dbraw/zinc/98/65/53/598986553.db2.gz PYNSLOQMUUCUDC-UHFFFAOYSA-N 0 3 317.393 2.152 20 30 DEEDHN C=CCCC[N@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000735413208 598986555 /nfs/dbraw/zinc/98/65/55/598986555.db2.gz PYNSLOQMUUCUDC-UHFFFAOYSA-N 0 3 317.393 2.152 20 30 DEEDHN C=CCCC[N@@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735413208 598986557 /nfs/dbraw/zinc/98/65/57/598986557.db2.gz PYNSLOQMUUCUDC-UHFFFAOYSA-N 0 3 317.393 2.152 20 30 DEEDHN C=CCCC[N@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735413208 598986559 /nfs/dbraw/zinc/98/65/59/598986559.db2.gz PYNSLOQMUUCUDC-UHFFFAOYSA-N 0 3 317.393 2.152 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001368811918 1148682617 /nfs/dbraw/zinc/68/26/17/1148682617.db2.gz GBFSSOOKCHJAMP-CQSZACIVSA-N 0 3 301.862 2.004 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC12CCC2 ZINC001379562865 1152643268 /nfs/dbraw/zinc/64/32/68/1152643268.db2.gz KAUOTGZZFZQJDC-WFASDCNBSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819734379 606746404 /nfs/dbraw/zinc/74/64/04/606746404.db2.gz NKQJZCJXZFXXCN-INIZCTEOSA-N 0 3 315.421 2.404 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819734379 606746406 /nfs/dbraw/zinc/74/64/06/606746406.db2.gz NKQJZCJXZFXXCN-INIZCTEOSA-N 0 3 315.421 2.404 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819734379 606746407 /nfs/dbraw/zinc/74/64/07/606746407.db2.gz NKQJZCJXZFXXCN-INIZCTEOSA-N 0 3 315.421 2.404 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819734379 606746409 /nfs/dbraw/zinc/74/64/09/606746409.db2.gz NKQJZCJXZFXXCN-INIZCTEOSA-N 0 3 315.421 2.404 20 30 DEEDHN C[C@H]([NH2+]CCCSCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824594035 608468490 /nfs/dbraw/zinc/46/84/90/608468490.db2.gz VZVLDPIBJVBWGF-NSHDSACASA-N 0 3 302.407 2.164 20 30 DEEDHN C[C@H]([NH2+]CCCSCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824594035 608468491 /nfs/dbraw/zinc/46/84/91/608468491.db2.gz VZVLDPIBJVBWGF-NSHDSACASA-N 0 3 302.407 2.164 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnc(C)cn1 ZINC001381466072 1153075086 /nfs/dbraw/zinc/07/50/86/1153075086.db2.gz AKEQNMOYQOMSSM-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C ZINC001355257692 1151996826 /nfs/dbraw/zinc/99/68/26/1151996826.db2.gz FOEUZUKZWVSUIS-ZNMIVQPWSA-N 0 3 303.454 2.251 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c(C)ccn1C ZINC001025225829 625283262 /nfs/dbraw/zinc/28/32/62/625283262.db2.gz HGOIXMHXMYZLDV-DLBZAZTESA-N 0 3 313.445 2.426 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001023476266 625286053 /nfs/dbraw/zinc/28/60/53/625286053.db2.gz KQGPQBRUVHYIOX-ZDUSSCGKSA-N 0 3 321.371 2.484 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cnc(C)o1 ZINC001025239712 625298752 /nfs/dbraw/zinc/29/87/52/625298752.db2.gz IFKLEVAYDVZDKC-DLBZAZTESA-N 0 3 315.417 2.004 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1[nH]cnc1C ZINC001025306345 625333849 /nfs/dbraw/zinc/33/38/49/625333849.db2.gz DQPHOGBZWBLBAU-HOTGVXAUSA-N 0 3 314.433 2.201 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001023609484 625346927 /nfs/dbraw/zinc/34/69/27/625346927.db2.gz RGVCYDQCXYTKBC-BZUAXINKSA-N 0 3 300.402 2.235 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001023620980 625355053 /nfs/dbraw/zinc/35/50/53/625355053.db2.gz CYEKKIWBZOUEQJ-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(OCC)c2)C1 ZINC001023620923 625355795 /nfs/dbraw/zinc/35/57/95/625355795.db2.gz BUABBUUCOHSIEI-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001023621885 625357163 /nfs/dbraw/zinc/35/71/63/625357163.db2.gz SBYDSQMTBSNZJS-HNNXBMFYSA-N 0 3 316.449 2.101 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3c2ccn3C)C1 ZINC001023652148 625373535 /nfs/dbraw/zinc/37/35/35/625373535.db2.gz CJOGMIMYJMOLSE-HNNXBMFYSA-N 0 3 309.413 2.253 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001023651602 625373570 /nfs/dbraw/zinc/37/35/70/625373570.db2.gz XGHWFXNILBLTKI-RDJZCZTQSA-N 0 3 312.413 2.014 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001023651454 625373820 /nfs/dbraw/zinc/37/38/20/625373820.db2.gz SQYLFACCQRHVHJ-LSDHHAIUSA-N 0 3 312.413 2.085 20 30 DEEDHN CNC(=S)N(C)N=C1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000841646959 625382818 /nfs/dbraw/zinc/38/28/18/625382818.db2.gz CDINMVAVAYAKLM-ZDUSSCGKSA-N 0 3 304.463 2.463 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001023691900 625390016 /nfs/dbraw/zinc/39/00/16/625390016.db2.gz QPNBFZCXZCHWCM-HNNXBMFYSA-N 0 3 313.445 2.359 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ncoc2C(C)(C)C)C1 ZINC001023693528 625391086 /nfs/dbraw/zinc/39/10/86/625391086.db2.gz XCOHVHZWWYIBKE-AWEZNQCLSA-N 0 3 317.433 2.437 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN(C[C@H](F)CC)C2)cn1 ZINC001023711457 625394454 /nfs/dbraw/zinc/39/44/54/625394454.db2.gz ZTRYQPNLLLVZSQ-GDBMZVCRSA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)ccn2C)C1 ZINC001025400793 625404759 /nfs/dbraw/zinc/40/47/59/625404759.db2.gz NCEFFWCHUDQIAR-HOTGVXAUSA-N 0 3 301.434 2.187 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(OC)cc2F)C1 ZINC000972654187 625410552 /nfs/dbraw/zinc/41/05/52/625410552.db2.gz VTPGGTABRSAYEU-CQSZACIVSA-N 0 3 306.381 2.096 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001025425166 625423712 /nfs/dbraw/zinc/42/37/12/625423712.db2.gz NERKTKJAPDXPHR-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001025462008 625456010 /nfs/dbraw/zinc/45/60/10/625456010.db2.gz ZRGMDLRUNUCENT-GDBMZVCRSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2nncc3ccccc32)C1 ZINC001025480952 625473708 /nfs/dbraw/zinc/47/37/08/625473708.db2.gz CEOIFYYNPMAACJ-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3c[nH]nc32)C1 ZINC001025503859 625488289 /nfs/dbraw/zinc/48/82/89/625488289.db2.gz 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625535527 /nfs/dbraw/zinc/53/55/27/625535527.db2.gz MFEBSSOGKKKLQH-LSDHHAIUSA-N 0 3 320.458 2.471 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnn3ccccc23)C1 ZINC001025564468 625557825 /nfs/dbraw/zinc/55/78/25/625557825.db2.gz JMJHRUXLABETLZ-HOTGVXAUSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000969274087 622661701 /nfs/dbraw/zinc/66/17/01/622661701.db2.gz YZSUZMIFLQZUAY-MRXNPFEDSA-N 0 3 304.393 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001020447805 622673087 /nfs/dbraw/zinc/67/30/87/622673087.db2.gz FPRLCSDHQABYJV-HAQNSBGRSA-N 0 3 309.797 2.007 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(CCC)on2)C1 ZINC001025581234 625588893 /nfs/dbraw/zinc/58/88/93/625588893.db2.gz AOBOSLMLHHCQKE-CABCVRRESA-N 0 3 317.433 2.481 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC001020508205 622750904 /nfs/dbraw/zinc/75/09/04/622750904.db2.gz OOJNLHKNPSXYQA-NZPIUUIZSA-N 0 3 322.840 2.065 20 30 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ZINC000978812682 634427530 /nfs/dbraw/zinc/42/75/30/634427530.db2.gz FRFCGUMUZVNBFR-XYYAHUGASA-N 0 3 308.834 2.332 20 30 DEEDHN C#CCOCCN1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC000934661156 625046834 /nfs/dbraw/zinc/04/68/34/625046834.db2.gz OIHTUJBSPQIJRH-YOEHRIQHSA-N 0 3 308.422 2.015 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2CCOCCC#N)C1 ZINC000934734758 625086678 /nfs/dbraw/zinc/08/66/78/625086678.db2.gz RZVRBIRFOOHYTN-KRWDZBQOSA-N 0 3 323.437 2.392 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC000972446530 625087043 /nfs/dbraw/zinc/08/70/43/625087043.db2.gz NAXBSXOAHYICTA-INIZCTEOSA-N 0 3 314.429 2.446 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000255884485 625101562 /nfs/dbraw/zinc/10/15/62/625101562.db2.gz OJPPEHWAPLUCPT-JPVKTXQWSA-N 0 3 319.449 2.378 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001024902710 625102164 /nfs/dbraw/zinc/10/21/64/625102164.db2.gz YIYOIQDEMVDQNP-TZMCWYRMSA-N 0 3 320.824 2.365 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001024902655 625102170 /nfs/dbraw/zinc/10/21/70/625102170.db2.gz WNQZACOERAPSJQ-TZMCWYRMSA-N 0 3 320.824 2.365 20 30 DEEDHN C=CCN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001027679558 634435658 /nfs/dbraw/zinc/43/56/58/634435658.db2.gz YXWBLBHUTUPWOP-MRXNPFEDSA-N 0 3 315.417 2.042 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)CCN1Cc1cccc(C#N)c1 ZINC000947289895 625128830 /nfs/dbraw/zinc/12/88/30/625128830.db2.gz BFSZVJXIQQCUGO-CJNGLKHVSA-N 0 3 323.400 2.064 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NCC(=C)Cl)C1 ZINC001023025984 625139251 /nfs/dbraw/zinc/13/92/51/625139251.db2.gz XWMUVTACPOONJS-IYBDPMFKSA-N 0 3 302.805 2.200 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(CC1CCC1)CCO2 ZINC000972497511 625139275 /nfs/dbraw/zinc/13/92/75/625139275.db2.gz LQTIDFYDQKMSBC-SFHVURJKSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001023034013 625140760 /nfs/dbraw/zinc/14/07/60/625140760.db2.gz XDVRSMDTOYNLAU-WCFLWFBJSA-N 0 3 322.840 2.068 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C[C@H]1C ZINC000947542984 625171014 /nfs/dbraw/zinc/17/10/14/625171014.db2.gz PLESUILWXMLTGU-UKRRQHHQSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC001023169097 625173737 /nfs/dbraw/zinc/17/37/37/625173737.db2.gz HHOBKRHMHSKGTJ-BETUJISGSA-N 0 3 322.840 2.377 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000947662757 625199368 /nfs/dbraw/zinc/19/93/68/625199368.db2.gz MDSGNCZPPTVSJG-XJKSGUPXSA-N 0 3 320.383 2.500 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccn(CC(C)C)n2)C1 ZINC001023397286 625252752 /nfs/dbraw/zinc/25/27/52/625252752.db2.gz CNDXQTOPAWGWNW-INIZCTEOSA-N 0 3 316.449 2.004 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnccn1 ZINC001025194177 625256202 /nfs/dbraw/zinc/25/62/02/625256202.db2.gz BMHLCYAALSTFMO-HZPDHXFCSA-N 0 3 300.406 2.122 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2nccc3cccnc32)C1 ZINC001023420581 625262265 /nfs/dbraw/zinc/26/22/65/625262265.db2.gz KSCZXFUQHTXLDB-AWEZNQCLSA-N 0 3 310.401 2.258 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001023445055 625271070 /nfs/dbraw/zinc/27/10/70/625271070.db2.gz FCCQYABUQWPFCH-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001024439976 625775748 /nfs/dbraw/zinc/77/57/48/625775748.db2.gz IRRDYOAZKPNCGI-INIZCTEOSA-N 0 3 314.433 2.216 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)nnc1C ZINC001024459451 625790993 /nfs/dbraw/zinc/79/09/93/625790993.db2.gz SMKNNOCUCURRTD-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)[C@@H]2Cc3ccccc3[C@@H]21 ZINC001025838019 625793940 /nfs/dbraw/zinc/79/39/40/625793940.db2.gz NKNKLGRWYBFLED-NJHADGRTSA-N 0 3 308.425 2.195 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001024500287 625821486 /nfs/dbraw/zinc/82/14/86/625821486.db2.gz ZWUMCPJDNUOHEX-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001024518524 625833227 /nfs/dbraw/zinc/83/32/27/625833227.db2.gz KDICRVSYEHHQSQ-OAHLLOKOSA-N 0 3 324.428 2.479 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(=O)C(C)(C)F)C1 ZINC001019928660 625855172 /nfs/dbraw/zinc/85/51/72/625855172.db2.gz LSRHJXDDFBALCY-HDJSIYSDSA-N 0 3 319.380 2.052 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001024552212 625870595 /nfs/dbraw/zinc/87/05/95/625870595.db2.gz DKQOZZDWBHQCLX-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCc2sccc2C1=O ZINC000892498012 625903464 /nfs/dbraw/zinc/90/34/64/625903464.db2.gz CIJJXAGLKJRJQH-PWSUYJOCSA-N 0 3 318.398 2.117 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c[nH]nc2C(C)C)C1 ZINC000999032529 634467720 /nfs/dbraw/zinc/46/77/20/634467720.db2.gz GAXQPGYNYUPICU-UHFFFAOYSA-N 0 3 310.829 2.478 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(Cl)n(C)n2)C1 ZINC000999087328 634474125 /nfs/dbraw/zinc/47/41/25/634474125.db2.gz BKAVLACODIFUIS-UHFFFAOYSA-N 0 3 317.220 2.019 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ncc3ccccn32)C1 ZINC000999119154 634489024 /nfs/dbraw/zinc/48/90/24/634489024.db2.gz YCIWEJINPBZDEF-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cn(C)cn3)C[C@H]2C1 ZINC000979660757 634729277 /nfs/dbraw/zinc/72/92/77/634729277.db2.gz RMNPFQVQCHWTNI-IHRRRGAJSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001000093304 634739370 /nfs/dbraw/zinc/73/93/70/634739370.db2.gz VCEUSKMNUNWPCK-RDJZCZTQSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001000240373 634818403 /nfs/dbraw/zinc/81/84/03/634818403.db2.gz GXWRXWBVOSFLSQ-ZSHCYNCHSA-N 0 3 300.446 2.417 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCOC[C@@H]3C)CC2)CC1 ZINC001000255523 634827062 /nfs/dbraw/zinc/82/70/62/634827062.db2.gz HHSMHMYRIPOLEW-DOTOQJQBSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ocnc3C(F)F)CC2)CC1 ZINC001000264926 634829724 /nfs/dbraw/zinc/82/97/24/634829724.db2.gz VOTUKHRHARXQQQ-UHFFFAOYSA-N 0 3 323.343 2.220 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)COc1cccc(C)c1 ZINC000836247825 650070938 /nfs/dbraw/zinc/07/09/38/650070938.db2.gz HTICEOIEIFYGEM-MRXNPFEDSA-N 0 3 317.433 2.017 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000836488332 650097949 /nfs/dbraw/zinc/09/79/49/650097949.db2.gz KKDWYPMHLFARFK-CQSZACIVSA-N 0 3 317.408 2.410 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001024690639 632925041 /nfs/dbraw/zinc/92/50/41/632925041.db2.gz ZZBKREHSVYKHQJ-MRXNPFEDSA-N 0 3 304.438 2.454 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001024714007 632942960 /nfs/dbraw/zinc/94/29/60/632942960.db2.gz RCQXUWFHCHOTKL-MRXNPFEDSA-N 0 3 316.449 2.127 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1(C)C ZINC000996398650 633254255 /nfs/dbraw/zinc/25/42/55/633254255.db2.gz IUQSBSBIRQJTIF-BXUZGUMPSA-N 0 3 324.856 2.167 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1(C)C ZINC000996398650 633254258 /nfs/dbraw/zinc/25/42/58/633254258.db2.gz IUQSBSBIRQJTIF-BXUZGUMPSA-N 0 3 324.856 2.167 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C(C)(C)C1 ZINC000974818910 633315240 /nfs/dbraw/zinc/31/52/40/633315240.db2.gz PMMKYIBJPKCVEG-MRXNPFEDSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C(C)(C)C1 ZINC000974843367 633329470 /nfs/dbraw/zinc/32/94/70/633329470.db2.gz FUFQDGUKGQQKGC-MRXNPFEDSA-N 0 3 318.465 2.409 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026991887 633331846 /nfs/dbraw/zinc/33/18/46/633331846.db2.gz CGLCBCPNOPGLBZ-BBRMVZONSA-N 0 3 303.381 2.244 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001026988568 633333735 /nfs/dbraw/zinc/33/37/35/633333735.db2.gz KAMOXQOENHDVMO-JSGCOSHPSA-N 0 3 319.453 2.215 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001026988736 633334181 /nfs/dbraw/zinc/33/41/81/633334181.db2.gz NXCGNICSMSKWQK-OAHLLOKOSA-N 0 3 318.465 2.269 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2nnc(C(C)C)[nH]2)C1 ZINC001026994621 633340534 /nfs/dbraw/zinc/34/05/34/633340534.db2.gz VHVIFSOIWMLPFX-CYBMUJFWSA-N 0 3 319.453 2.078 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3ccccc3nn2)C(C)(C)C1 ZINC000974897162 633362292 /nfs/dbraw/zinc/36/22/92/633362292.db2.gz RIHBPGFSMKBDKH-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2cccc(F)c2F)C(C)(C)C1 ZINC000975086982 633414914 /nfs/dbraw/zinc/41/49/14/633414914.db2.gz VYDSPMQPTYVOFN-HNNXBMFYSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)C(C)(C)C1 ZINC000975108227 633422495 /nfs/dbraw/zinc/42/24/95/633422495.db2.gz QFXHTDDARLGVEB-OAHLLOKOSA-N 0 3 302.422 2.303 20 30 DEEDHN C[C@H](OCc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125207996 633515203 /nfs/dbraw/zinc/51/52/03/633515203.db2.gz BNAZCLDIHOKDJT-ZFWWWQNUSA-N 0 3 323.352 2.334 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC000996957108 633538577 /nfs/dbraw/zinc/53/85/77/633538577.db2.gz PTRAAPIBAPZKEI-SFHVURJKSA-N 0 3 316.449 2.468 20 30 DEEDHN CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000997021237 633562538 /nfs/dbraw/zinc/56/25/38/633562538.db2.gz COMUPLGQEBPBIA-TZMCWYRMSA-N 0 3 320.412 2.465 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccnn2CCC)CC1 ZINC000997118353 633600891 /nfs/dbraw/zinc/60/08/91/633600891.db2.gz FIPBCQREBVIKPF-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000997388246 633751395 /nfs/dbraw/zinc/75/13/95/633751395.db2.gz VJPRLTKASOVHNL-CYBMUJFWSA-N 0 3 316.449 2.171 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc3c([nH]2)CCC3)CC1 ZINC000997387911 633751554 /nfs/dbraw/zinc/75/15/54/633751554.db2.gz RKANFWSRKDOYRZ-CQSZACIVSA-N 0 3 313.445 2.357 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2)C[C@H]1C ZINC000947921994 633776427 /nfs/dbraw/zinc/77/64/27/633776427.db2.gz SUMVOGQQUPWFBD-ZBFHGGJFSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001027443405 633793189 /nfs/dbraw/zinc/79/31/89/633793189.db2.gz LRKSJMUHMVQWKF-SFHVURJKSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc3cnccc32)C1 ZINC001027463125 633827236 /nfs/dbraw/zinc/82/72/36/633827236.db2.gz SCRRJWMPUHGRNU-GOSISDBHSA-N 0 3 321.424 2.333 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CCN(CC#CC)CC1 ZINC000997589368 633887745 /nfs/dbraw/zinc/88/77/45/633887745.db2.gz OHKSRGVUZJEAAQ-JQHSSLGASA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccn(CC(C)C)n2)CC1 ZINC000997603372 633896895 /nfs/dbraw/zinc/89/68/95/633896895.db2.gz APTCPCBNDXOKQI-HNNXBMFYSA-N 0 3 316.449 2.003 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000997686889 633932290 /nfs/dbraw/zinc/93/22/90/633932290.db2.gz QCBWBQAXVFAIBX-UAGQMJEPSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@H](C)C1 ZINC000946312117 633957440 /nfs/dbraw/zinc/95/74/40/633957440.db2.gz LCZCLVATBMHEFI-GDBMZVCRSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(CC(C)C)c2)C(C)(C)C1 ZINC000977386179 633965652 /nfs/dbraw/zinc/96/56/52/633965652.db2.gz HPTROCSSORCCQU-INIZCTEOSA-N 0 3 316.449 2.003 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cnc(Cl)n2C)CC1 ZINC000948617766 633969130 /nfs/dbraw/zinc/96/91/30/633969130.db2.gz VJIFWEREVCKSOR-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000997830091 634002573 /nfs/dbraw/zinc/00/25/73/634002573.db2.gz VJPRLTKASOVHNL-ZDUSSCGKSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2COc3ccccc32)CC1 ZINC000997887270 634020722 /nfs/dbraw/zinc/02/07/22/634020722.db2.gz NIEKEYWDBBCYPP-WMLDXEAASA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001027539819 634041792 /nfs/dbraw/zinc/04/17/92/634041792.db2.gz QEFHKMIMMUFTJG-GDBMZVCRSA-N 0 3 312.413 2.352 20 30 DEEDHN 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C=C(C)CN1CCC[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001027968412 635113526 /nfs/dbraw/zinc/11/35/26/635113526.db2.gz QOWCGMHRMVDMEC-AWEZNQCLSA-N 0 3 303.406 2.169 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C(C)C)no3)CC2)CC1 ZINC001000285202 635128751 /nfs/dbraw/zinc/12/87/51/635128751.db2.gz ZIGHASMYNZOCEN-UHFFFAOYSA-N 0 3 315.417 2.406 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001027980537 635156434 /nfs/dbraw/zinc/15/64/34/635156434.db2.gz UQOXEZFNCNWJFE-OAHLLOKOSA-N 0 3 312.417 2.344 20 30 DEEDHN CC#CCN1CCC[C@@H]1CNC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001027995854 635188904 /nfs/dbraw/zinc/18/89/04/635188904.db2.gz BZSFEPYSPTXAQR-GFCCVEGCSA-N 0 3 320.824 2.158 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(Cl)cnn2CC)CC1 ZINC001000728550 635278227 /nfs/dbraw/zinc/27/82/27/635278227.db2.gz SGIPWLCVYDCDKE-UHFFFAOYSA-N 0 3 308.813 2.104 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn(C)nc2C2CCC2)CC1 ZINC001000861040 635321105 /nfs/dbraw/zinc/32/11/05/635321105.db2.gz XHDXJSXUKMURJJ-UHFFFAOYSA-N 0 3 314.433 2.236 20 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CO[C@H](CC(C)C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000842291948 650696907 /nfs/dbraw/zinc/69/69/07/650696907.db2.gz OBVIQSDVQIXEKP-CHWSQXEVSA-N 0 3 304.394 2.242 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(CC#CC)CC2 ZINC000990741651 641855605 /nfs/dbraw/zinc/85/56/05/641855605.db2.gz NHVYODXJNVQZKE-VUHPKUFZSA-N 0 3 316.445 2.104 20 30 DEEDHN CC(C)(C#N)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899048958 641911324 /nfs/dbraw/zinc/91/13/24/641911324.db2.gz DJTPIXZICKEANB-UHFFFAOYSA-N 0 3 305.769 2.199 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000842343765 650714129 /nfs/dbraw/zinc/71/41/29/650714129.db2.gz SVMQLCMIRRZSFF-GJZGRUSLSA-N 0 3 302.374 2.135 20 30 DEEDHN C#C[C@H](NC[C@H](O)COc1c(C)ccc(C)c1C)[C@@H]1CCCO1 ZINC000775789999 642095482 /nfs/dbraw/zinc/09/54/82/642095482.db2.gz OWKKADROTIZEMQ-BZSNNMDCSA-N 0 3 317.429 2.122 20 30 DEEDHN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(N(C)C)cc1 ZINC000775834554 642102939 /nfs/dbraw/zinc/10/29/39/642102939.db2.gz 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/nfs/dbraw/zinc/63/02/97/642630297.db2.gz KVAUEDOASZVKCO-QZTJIDSGSA-N 0 3 319.449 2.041 20 30 DEEDHN CN(C)Cc1ccccc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780883836 642684645 /nfs/dbraw/zinc/68/46/45/642684645.db2.gz WQTYPBYOCFDORD-KRWDZBQOSA-N 0 3 309.369 2.292 20 30 DEEDHN CC(C)(C#N)CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000782700730 642917604 /nfs/dbraw/zinc/91/76/04/642917604.db2.gz MMGLZCGJELULDN-ZJUUUORDSA-N 0 3 320.311 2.317 20 30 DEEDHN C(=NOC[C@H]1C[C@]12CCOC2)c1ccc(N2CCOCC2)cc1 ZINC000902149478 642933732 /nfs/dbraw/zinc/93/37/32/642933732.db2.gz WESUYUJULVCSPT-AEFFLSMTSA-N 0 3 316.401 2.300 20 30 DEEDHN C=CC[C@H](CO)CNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000783584097 643023441 /nfs/dbraw/zinc/02/34/41/643023441.db2.gz PUBSKRDQYXDMKB-QMMMGPOBSA-N 0 3 311.735 2.367 20 30 DEEDHN C=CCNC(=S)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000783766579 643050118 /nfs/dbraw/zinc/05/01/18/643050118.db2.gz GMGQMIYOHYHCBT-UHFFFAOYSA-N 0 3 319.474 2.288 20 30 DEEDHN C=CCc1cc(OC)cc(CN2CCC[C@@H]2C2OCCO2)c1O ZINC000902623264 643088488 /nfs/dbraw/zinc/08/84/88/643088488.db2.gz VXBFKGBTAKRVEB-MRXNPFEDSA-N 0 3 319.401 2.467 20 30 DEEDHN CC(C)[C@H](F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000784114449 643099512 /nfs/dbraw/zinc/09/95/12/643099512.db2.gz XOVBMRWQGKFEPX-INIZCTEOSA-N 0 3 305.397 2.443 20 30 DEEDHN C[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902732146 643124071 /nfs/dbraw/zinc/12/40/71/643124071.db2.gz XRUYVLXCONZHTR-KFWWJZLASA-N 0 3 302.422 2.103 20 30 DEEDHN C[C@@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902732148 643124239 /nfs/dbraw/zinc/12/42/39/643124239.db2.gz XRUYVLXCONZHTR-RBSFLKMASA-N 0 3 302.422 2.103 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902947071 643201589 /nfs/dbraw/zinc/20/15/89/643201589.db2.gz DCOUXMWLECYINP-CQSZACIVSA-N 0 3 319.430 2.124 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCN(CC)C2=O)cc1 ZINC000903392523 643331727 /nfs/dbraw/zinc/33/17/27/643331727.db2.gz UCXSQOIJDYDQBJ-YOEHRIQHSA-N 0 3 300.402 2.360 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786313869 643351657 /nfs/dbraw/zinc/35/16/57/643351657.db2.gz YDDBOWSYPWAPNN-QWHCGFSZSA-N 0 3 316.357 2.159 20 30 DEEDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000787280483 643474880 /nfs/dbraw/zinc/47/48/80/643474880.db2.gz WQMMVEBHHATUQZ-NWDGAFQWSA-N 0 3 317.389 2.002 20 30 DEEDHN C=CCNC(=O)c1cccc(-c2noc(C34CCC(CC3)N4)n2)c1 ZINC000904582935 643696289 /nfs/dbraw/zinc/69/62/89/643696289.db2.gz ADRLANACKYZFJM-UHFFFAOYSA-N 0 3 324.384 2.394 20 30 DEEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OCC#N ZINC000905079343 643777357 /nfs/dbraw/zinc/77/73/57/643777357.db2.gz BIFPZLCKDOOVCC-QVIVLVACSA-N 0 3 310.313 2.030 20 30 DEEDHN COc1cc2c(c(/C=C3/C(=O)c4ncnn4C3C)c1)O[C@H](C)C2 ZINC000905082804 643779015 /nfs/dbraw/zinc/77/90/15/643779015.db2.gz XEJMSRLFIXLZFQ-UKPKIQPSSA-N 0 3 311.341 2.451 20 30 DEEDHN COc1cc(OC)c(/C=C2/C(=O)c3ncnn3C2C)cc1F ZINC000905083810 643779145 /nfs/dbraw/zinc/77/91/45/643779145.db2.gz FPYMTZDHDPZCGJ-OPWUTIMJSA-N 0 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/nfs/dbraw/zinc/94/73/26/650947326.db2.gz XHYDAAPPZDOMOY-DZGCQCFKSA-N 0 3 307.438 2.384 20 30 DEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000796628837 644766603 /nfs/dbraw/zinc/76/66/03/644766603.db2.gz FANFQURRCJPTFY-HZUKXOBISA-N 0 3 318.373 2.404 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cncnc1 ZINC000796705886 644778998 /nfs/dbraw/zinc/77/89/98/644778998.db2.gz DLCDOCPQKIVKRS-CYBMUJFWSA-N 0 3 305.341 2.172 20 30 DEEDHN Cc1ccc([C@@H](O)[C@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000843409121 650968569 /nfs/dbraw/zinc/96/85/69/650968569.db2.gz PFMQHLOSPYGUBL-GUYCJALGSA-N 0 3 321.384 2.121 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc4n(n3)CCCC4)CCC[C@@H]12 ZINC000991242015 645352333 /nfs/dbraw/zinc/35/23/33/645352333.db2.gz IFQUXLLWBYQUAR-SJLPKXTDSA-N 0 3 314.433 2.132 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc([S@](C)(=N)=O)cc2)CC1 ZINC000910499077 645481386 /nfs/dbraw/zinc/48/13/86/645481386.db2.gz TZNOPOSBGRVMSX-JOCHJYFZSA-N 0 3 319.430 2.006 20 30 DEEDHN C=CCN1CCN(CN(CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000840008274 645672930 /nfs/dbraw/zinc/67/29/30/645672930.db2.gz KUTLFSMYTGGETD-OAGGEKHMSA-N 0 3 321.465 2.393 20 30 DEEDHN C=C(CO)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000804129058 645729198 /nfs/dbraw/zinc/72/91/98/645729198.db2.gz ZRECHZPGDPRVQT-OAHLLOKOSA-N 0 3 310.825 2.388 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000911642836 645760508 /nfs/dbraw/zinc/76/05/08/645760508.db2.gz ODWOKMARJJFHII-JKSUJKDBSA-N 0 3 306.381 2.409 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H](CCSC)C(=O)NC)cc1 ZINC000806663132 645859641 /nfs/dbraw/zinc/85/96/41/645859641.db2.gz NOZXSUCOLFHXAD-BBRMVZONSA-N 0 3 320.458 2.217 20 30 DEEDHN C[C@@]1(NC(=O)[C@@H](C#N)CCc2ccccc2)CN2CCC1CC2 ZINC000912379497 646039992 /nfs/dbraw/zinc/03/99/92/646039992.db2.gz XNJYGQJHFKMLQD-VQIMIIECSA-N 0 3 311.429 2.359 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(COCCOC)c1 ZINC000912410995 646062537 /nfs/dbraw/zinc/06/25/37/646062537.db2.gz XCRCVIPQCCVLBA-INIZCTEOSA-N 0 3 306.406 2.472 20 30 DEEDHN C=CCC[C@@H](C(=O)N(C)CCN(C)CCO)c1ccccc1 ZINC000912605013 646118167 /nfs/dbraw/zinc/11/81/67/646118167.db2.gz ACLMSBSJANCDLR-QGZVFWFLSA-N 0 3 304.434 2.119 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)N[C@@H](c3ccccc3)C2=O)CC1 ZINC000348873835 646177066 /nfs/dbraw/zinc/17/70/66/646177066.db2.gz CKXKLZFASPJLHZ-INIZCTEOSA-N 0 3 313.401 2.320 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)N2CCC(N3CCC3)CC2)cc1 ZINC000912869053 646193121 /nfs/dbraw/zinc/19/31/21/646193121.db2.gz PRSJKMBEVUMGDY-FPLPWBNLSA-N 0 3 312.413 2.431 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000809947324 646303020 /nfs/dbraw/zinc/30/30/20/646303020.db2.gz DTMFMQWTGHVGKS-FQEVSTJZSA-N 0 3 320.436 2.500 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(Cl)n(C)n3)CCC[C@H]12 ZINC000991753915 646611690 /nfs/dbraw/zinc/61/16/90/646611690.db2.gz PVQXAMDXXCTQOR-BBRMVZONSA-N 0 3 322.840 2.376 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)CCC[C@H]12 ZINC000991823424 646642961 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30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)[C@H](C)C1 ZINC000942543494 649241037 /nfs/dbraw/zinc/24/10/37/649241037.db2.gz WSEGGNJGDKTOFN-TZMCWYRMSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CC[C@H](CN(Cc2cccnc2)C(=O)c2cc[nH]c2)C1 ZINC000995268100 649275440 /nfs/dbraw/zinc/27/54/40/649275440.db2.gz RJINYDSXSGSHEW-KRWDZBQOSA-N 0 3 322.412 2.007 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H](C)C1 ZINC000942718207 649279440 /nfs/dbraw/zinc/27/94/40/649279440.db2.gz CPYWVVWRXVRIDU-GOEBONIOSA-N 0 3 301.434 2.051 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncsc2C2CC2)[C@H](C)C1 ZINC000942822467 649290247 /nfs/dbraw/zinc/29/02/47/649290247.db2.gz KUZSKJHPLIPZAZ-TZMCWYRMSA-N 0 3 317.458 2.484 20 30 DEEDHN CCC(=O)N1C[C@H](NCc2cc(C#N)ccc2OC)C(C)(C)C1 ZINC000995288415 649295955 /nfs/dbraw/zinc/29/59/55/649295955.db2.gz NSAHAKCDSDENMZ-INIZCTEOSA-N 0 3 315.417 2.303 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H](C)C1 ZINC000942857217 649296508 /nfs/dbraw/zinc/29/65/08/649296508.db2.gz IPZYJGHOHOOKTP-DYVFJYSZSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000829773758 649353377 /nfs/dbraw/zinc/35/33/77/649353377.db2.gz JIHPLRSEWSFYFS-GJZGRUSLSA-N 0 3 313.401 2.459 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c(OC)c1 ZINC000829807263 649359717 /nfs/dbraw/zinc/35/97/17/649359717.db2.gz ZERPYBQDSFBNSV-CVEARBPZSA-N 0 3 313.401 2.266 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)[C@@H](C)C1 ZINC000943373723 649372218 /nfs/dbraw/zinc/37/22/18/649372218.db2.gz KFKZREOKVAQYAA-WCQYABFASA-N 0 3 322.478 2.144 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2OCC)[C@@H](C)C1 ZINC000943777153 649425378 /nfs/dbraw/zinc/42/53/78/649425378.db2.gz GGSDASSQQAHJQQ-BBRMVZONSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000830337801 649428434 /nfs/dbraw/zinc/42/84/34/649428434.db2.gz FCJFNKPFFNHTDI-UHFFFAOYSA-N 0 3 321.424 2.398 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nsnc32)[C@@H](C)C1 ZINC000943875992 649449752 /nfs/dbraw/zinc/44/97/52/649449752.db2.gz HALJSBOJCCXMTG-AAEUAGOBSA-N 0 3 316.430 2.318 20 30 DEEDHN CSCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC000995406143 649453609 /nfs/dbraw/zinc/45/36/09/649453609.db2.gz NTSZEMYRCDKYLV-CYBMUJFWSA-N 0 3 323.487 2.309 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H](C)C1 ZINC000944033421 649475699 /nfs/dbraw/zinc/47/56/99/649475699.db2.gz LAFXGCZBCHXYGZ-GDBMZVCRSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3cccc(C)c23)[C@H](C)C1 ZINC000944213121 649497822 /nfs/dbraw/zinc/49/78/22/649497822.db2.gz APCUAVGROHAFSP-NVXWUHKLSA-N 0 3 323.440 2.479 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c3ccccc32)[C@H](C)C1 ZINC000944225265 649500425 /nfs/dbraw/zinc/50/04/25/649500425.db2.gz ARVHHNOUWLQADP-UKRRQHHQSA-N 0 3 312.417 2.200 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](C)C1 ZINC000944241085 649501698 /nfs/dbraw/zinc/50/16/98/649501698.db2.gz HRQLAIWCGZOFOY-GXTWGEPZSA-N 0 3 305.809 2.199 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CC(C)C)c2C)[C@H](C)C1 ZINC000944443088 649526713 /nfs/dbraw/zinc/52/67/13/649526713.db2.gz GAMUXDJLJBWURD-RHSMWYFYSA-N 0 3 318.465 2.474 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CC#CC)C[C@@H]1C ZINC000944445264 649527649 /nfs/dbraw/zinc/52/76/49/649527649.db2.gz ONMISIAHDUIZND-QFBILLFUSA-N 0 3 308.425 2.060 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H](NCc2ccc(Cl)nc2)C(C)(C)C1 ZINC000995561141 649548247 /nfs/dbraw/zinc/54/82/47/649548247.db2.gz LTZQNSWQKMJPNK-YPMHNXCESA-N 0 3 320.824 2.221 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H](C)C1 ZINC000944702757 649555750 /nfs/dbraw/zinc/55/57/50/649555750.db2.gz TWRONZAQPJKMMB-WBMJQRKESA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)noc2CC)[C@H](C)C1 ZINC000944890729 649581204 /nfs/dbraw/zinc/58/12/04/649581204.db2.gz NVLNYBVBUQPTPG-TZMCWYRMSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)[C@H](C)C1 ZINC000945028558 649600268 /nfs/dbraw/zinc/60/02/68/649600268.db2.gz JKNOLSDNPSLPIJ-OCCSQVGLSA-N 0 3 314.389 2.296 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)[C@@H](C)C1 ZINC000945178140 649623890 /nfs/dbraw/zinc/62/38/90/649623890.db2.gz FEVVZSFBPSDHEZ-XOEAPDPESA-N 0 3 314.351 2.179 20 30 DEEDHN COCC#CCN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358252 651116979 /nfs/dbraw/zinc/11/69/79/651116979.db2.gz UUGASSDJRSQOTM-YJBOKZPZSA-N 0 3 322.449 2.263 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)c1ccccc1F ZINC000844367254 651118196 /nfs/dbraw/zinc/11/81/96/651118196.db2.gz NCGFZNJIFDJMOA-ZWKOTPCHSA-N 0 3 314.360 2.396 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844432617 651128249 /nfs/dbraw/zinc/12/82/49/651128249.db2.gz AXZBRBCKLAFPIR-GOEBONIOSA-N 0 3 322.355 2.419 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000845221172 651219305 /nfs/dbraw/zinc/21/93/05/651219305.db2.gz SFDWGYGFTLYYQT-GFCCVEGCSA-N 0 3 320.264 2.215 20 30 DEEDHN N#CCn1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cn1 ZINC000845341398 651235155 /nfs/dbraw/zinc/23/51/55/651235155.db2.gz JIJYLHMXDIQIFM-MNOVXSKESA-N 0 3 316.283 2.093 20 30 DEEDHN C=C[C@@H](C)ONC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000845634020 651264243 /nfs/dbraw/zinc/26/42/43/651264243.db2.gz RMUXWJRVAYTZKE-ZBFHGGJFSA-N 0 3 303.406 2.456 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)nc1 ZINC000846977758 651366464 /nfs/dbraw/zinc/36/64/64/651366464.db2.gz ZHNXESLDEFRIKO-WBVHZDCISA-N 0 3 313.401 2.461 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000847265854 651385515 /nfs/dbraw/zinc/38/55/15/651385515.db2.gz CVPKDFPCTLAFSF-SJLPKXTDSA-N 0 3 311.429 2.316 20 30 DEEDHN C#CCOc1ccc([C@H](C)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848569717 651472598 /nfs/dbraw/zinc/47/25/98/651472598.db2.gz HCWXDKXUEISDKC-SUMWQHHRSA-N 0 3 314.385 2.332 20 30 DEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000855362906 651683607 /nfs/dbraw/zinc/68/36/07/651683607.db2.gz SSLPCWOLEGVNMC-UHFFFAOYSA-N 0 3 309.413 2.255 20 30 DEEDHN C=CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H](C)COC ZINC000855375335 651685465 /nfs/dbraw/zinc/68/54/65/651685465.db2.gz KBBMAVJLHMNFON-BBRMVZONSA-N 0 3 300.418 2.248 20 30 DEEDHN C=C(C)COc1cc(CNCCN(C)C(=O)OC)ccc1OC ZINC000850390440 651918403 /nfs/dbraw/zinc/91/84/03/651918403.db2.gz ZUNAOQDJPWJDJG-UHFFFAOYSA-N 0 3 322.405 2.438 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](CC)N[C@@H](C)C2)cc1 ZINC000856407746 651921352 /nfs/dbraw/zinc/92/13/52/651921352.db2.gz ACCAVIIBBFPRLX-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCC(=O)c1c(F)cccc1F ZINC000850761571 651982427 /nfs/dbraw/zinc/98/24/27/651982427.db2.gz OQMVPDPSBAWGLZ-SNVBAGLBSA-N 0 3 322.311 2.161 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850767312 651984432 /nfs/dbraw/zinc/98/44/32/651984432.db2.gz IIBIUBCGSINTEZ-OAHLLOKOSA-N 0 3 312.369 2.210 20 30 DEEDHN C#CCCN(CCOC)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000852749456 652449095 /nfs/dbraw/zinc/44/90/95/652449095.db2.gz YWSQIICNKYYQJJ-UHFFFAOYSA-N 0 3 317.385 2.002 20 30 DEEDHN C#CCCN(CCOC)C[C@H](O)COc1cc(C)ccc1C ZINC000852752716 652450648 /nfs/dbraw/zinc/45/06/48/652450648.db2.gz IUQJUCMSGKPEGZ-KRWDZBQOSA-N 0 3 305.418 2.015 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCN(C)C(=O)OC)c([O-])c1 ZINC000852998344 652488054 /nfs/dbraw/zinc/48/80/54/652488054.db2.gz LCWZZUMDKYETRT-SFQUDFHCSA-N 0 3 307.394 2.356 20 30 DEEDHN CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(CCc2scnc2C)C1 ZINC001391641536 1156632104 /nfs/dbraw/zinc/63/21/04/1156632104.db2.gz WUBAGVBXLLQVRF-OCCSQVGLSA-N 0 3 320.462 2.077 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)c2cnn(C)c2)CCCC1 ZINC001374182118 1157695779 /nfs/dbraw/zinc/69/57/79/1157695779.db2.gz XWAFGBREZJRLOS-ZDUSSCGKSA-N 0 3 324.856 2.295 20 30 DEEDHN COc1ccc([C@@H](CNC(=O)NCCC#N)N2CCCC2)cc1 ZINC000354464556 685348818 /nfs/dbraw/zinc/34/88/18/685348818.db2.gz XTXYDMYPABMKJC-MRXNPFEDSA-N 0 3 316.405 2.045 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1C ZINC000928434572 693778785 /nfs/dbraw/zinc/77/87/85/693778785.db2.gz JDCZKOYRYCOZBU-ABAIWWIYSA-N 0 3 303.381 2.184 20 30 DEEDHN C[C@H]1[C@H](NC(=O)CSCc2ccc(C#N)cc2)CCN1C ZINC000928460118 693786941 /nfs/dbraw/zinc/78/69/41/693786941.db2.gz ZCSMUSIRRLHSFM-SWLSCSKDSA-N 0 3 303.431 2.000 20 30 DEEDHN N#CC(C(=O)CCN1C(=O)COc2ccccc21)c1ccccn1 ZINC000041493172 683890759 /nfs/dbraw/zinc/89/07/59/683890759.db2.gz SZOGBYNXCKJLCD-ZDUSSCGKSA-N 0 3 321.336 2.074 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@@H](CCC(N)=O)C1 ZINC000092660464 684044333 /nfs/dbraw/zinc/04/43/33/684044333.db2.gz FMNCTERWRUTLSC-HNNXBMFYSA-N 0 3 300.402 2.176 20 30 DEEDHN CN(CCN1CCCC1=O)Cc1ccc(N(C)CCC#N)cc1 ZINC000093320387 684049873 /nfs/dbraw/zinc/04/98/73/684049873.db2.gz WRLQBDSBIKNPHI-UHFFFAOYSA-N 0 3 314.433 2.091 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116592944 684065668 /nfs/dbraw/zinc/06/56/68/684065668.db2.gz ZUOQUJQVNAIOQQ-GARJFASQSA-N 0 3 306.312 2.302 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)C2(N(C)C)CCC2)c1 ZINC000119925671 684088866 /nfs/dbraw/zinc/08/88/66/684088866.db2.gz LBAUQHFRVSHIER-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCCCO1 ZINC000121984242 684111941 /nfs/dbraw/zinc/11/19/41/684111941.db2.gz JSMHERPWUGPYAR-IUODEOHRSA-N 0 3 316.357 2.302 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000124778965 684138571 /nfs/dbraw/zinc/13/85/71/684138571.db2.gz JLXCCDZWGNZHOG-GOSISDBHSA-N 0 3 314.429 2.288 20 30 DEEDHN CNC(=O)C(C#N)C(=O)COc1ccccc1Cc1ccccc1 ZINC000133390595 684218976 /nfs/dbraw/zinc/21/89/76/684218976.db2.gz CXBIGAWYGUAAJC-MRXNPFEDSA-N 0 3 322.364 2.111 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccoc1)C2 ZINC001054119986 693852827 /nfs/dbraw/zinc/85/28/27/693852827.db2.gz IWMOPZJNCJGMGO-GOSISDBHSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1sccc1F)C2 ZINC001054125639 693855652 /nfs/dbraw/zinc/85/56/52/693855652.db2.gz QMVDRNMFNLGHNX-MRXNPFEDSA-N 0 3 306.406 2.449 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccns1)C2 ZINC001054141839 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C#CCCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272032312 685206128 /nfs/dbraw/zinc/20/61/28/685206128.db2.gz PMAHJMIYJWBRPP-UHFFFAOYSA-N 0 3 317.389 2.005 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@H](C)OC(C)(C)C2)cc1 ZINC000929347157 693941896 /nfs/dbraw/zinc/94/18/96/693941896.db2.gz DFFRTPZLJQBEEB-AWEZNQCLSA-N 0 3 300.402 2.496 20 30 DEEDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2cccc(CC#N)c2)C1 ZINC000861344071 686049610 /nfs/dbraw/zinc/04/96/10/686049610.db2.gz MXWSGFQOASAVPZ-DOTOQJQBSA-N 0 3 302.374 2.019 20 30 DEEDHN CCN(C(=O)c1cc(F)c(C#N)c(F)c1)C1CCN(C)CC1 ZINC000861889981 686200835 /nfs/dbraw/zinc/20/08/35/686200835.db2.gz AVKHXDOYBPTHBP-UHFFFAOYSA-N 0 3 307.344 2.393 20 30 DEEDHN N#Cc1ccc([C@@H](O)CNC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000863565476 686523366 /nfs/dbraw/zinc/52/33/66/686523366.db2.gz KWCSHCOXNXKIIJ-UONOGXRCSA-N 0 3 324.306 2.181 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001054812486 694051091 /nfs/dbraw/zinc/05/10/91/694051091.db2.gz 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CC#CCN1CCC2(C[C@@H]2NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001016656254 687675401 /nfs/dbraw/zinc/67/54/01/687675401.db2.gz GYXNYUMMFKWDKA-INIZCTEOSA-N 0 3 311.429 2.500 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(F)c(C)cc2F)CC1 ZINC001016670530 687679633 /nfs/dbraw/zinc/67/96/33/687679633.db2.gz LXLOQQYSXCNGOH-INIZCTEOSA-N 0 3 318.367 2.491 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(COC)c2)CC1 ZINC001016713742 687688552 /nfs/dbraw/zinc/68/85/52/687688552.db2.gz AOHNFIAKDICTCK-KRWDZBQOSA-N 0 3 312.413 2.051 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cn(C(C)C)cn2)CC1 ZINC001016749792 687695101 /nfs/dbraw/zinc/69/51/01/687695101.db2.gz UFKCZBLTJMHWFM-MRXNPFEDSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(F)c(F)cc2F)CC1 ZINC001016796213 687705150 /nfs/dbraw/zinc/70/51/50/687705150.db2.gz MSUHORIUWJCYTK-OAHLLOKOSA-N 0 3 322.330 2.321 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)c2cccs2)CC1 ZINC001016818872 687709840 /nfs/dbraw/zinc/70/98/40/687709840.db2.gz 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C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001017932674 688003995 /nfs/dbraw/zinc/00/39/95/688003995.db2.gz KREBALCLQUXJLC-QLFBSQMISA-N 0 3 314.433 2.081 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1ccnc1 ZINC001018006903 688025651 /nfs/dbraw/zinc/02/56/51/688025651.db2.gz GNSLXPHBOYJRKM-HRCADAONSA-N 0 3 302.422 2.086 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[C@@H]1CCCO1 ZINC001018325984 688110686 /nfs/dbraw/zinc/11/06/86/688110686.db2.gz ZPSPDYAOIBUFBT-NCOADZHNSA-N 0 3 306.450 2.443 20 30 DEEDHN CC(C)=CC(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018452575 688143211 /nfs/dbraw/zinc/14/32/11/688143211.db2.gz XKBNHSKRNYIGMB-HNNXBMFYSA-N 0 3 301.365 2.354 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018633060 688189780 /nfs/dbraw/zinc/18/97/80/688189780.db2.gz SSWJKQWYSICDSI-FZMZJTMJSA-N 0 3 321.808 2.199 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CC=CC3)C2)cc1F ZINC001018654089 688195840 /nfs/dbraw/zinc/19/58/40/688195840.db2.gz GXSMPPQFCXBZSI-INIZCTEOSA-N 0 3 313.376 2.354 20 30 DEEDHN C[C@H](C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC001018673256 688202590 /nfs/dbraw/zinc/20/25/90/688202590.db2.gz MLUUXFPURSWWFQ-LRDDRELGSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H](NCc2cccnc2C)C1 ZINC001018972878 688264742 /nfs/dbraw/zinc/26/47/42/688264742.db2.gz UVKZSHPGGQAQKZ-KRWDZBQOSA-N 0 3 324.428 2.382 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001019613741 688381633 /nfs/dbraw/zinc/38/16/33/688381633.db2.gz YQDMUADAFNWMSZ-LBPRGKRZSA-N 0 3 305.447 2.169 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)cn1 ZINC001019675114 688389189 /nfs/dbraw/zinc/38/91/89/688389189.db2.gz APJBWULIYADWHB-SFHVURJKSA-N 0 3 323.371 2.206 20 30 DEEDHN CC(C)(C)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001019692239 688392910 /nfs/dbraw/zinc/39/29/10/688392910.db2.gz NVMWXWPOONVERE-AWEZNQCLSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001020058625 688454864 /nfs/dbraw/zinc/45/48/64/688454864.db2.gz PTIDVYZIDPBUCB-MGCOHNPYSA-N 0 3 323.181 2.177 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H](NCc2cnoc2C)C1 ZINC001020241498 688490014 /nfs/dbraw/zinc/49/00/14/688490014.db2.gz NKVDTHUDGYYZOL-SHTZXODSSA-N 0 3 314.389 2.021 20 30 DEEDHN N#CC(C(=O)C[C@@H]1Cc2ccccc2O1)C(=O)NC1CCCC1 ZINC000870159969 688502162 /nfs/dbraw/zinc/50/21/62/688502162.db2.gz UTKDBNSZRVSFNE-LSDHHAIUSA-N 0 3 312.369 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC001020310661 688502215 /nfs/dbraw/zinc/50/22/15/688502215.db2.gz XVYXQWGBBBQWPD-JOCQHMNTSA-N 0 3 322.840 2.291 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)Cc3cnn(C)c3)C2)C1 ZINC001029834923 688582090 /nfs/dbraw/zinc/58/20/90/688582090.db2.gz ARULFYKPOQLAHE-HNNXBMFYSA-N 0 3 316.449 2.057 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CN(C)Cc2ccnn2C)CC1 ZINC001029983292 688585381 /nfs/dbraw/zinc/58/53/81/688585381.db2.gz 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C#CCCN1CC[C@H](N(C)C(=O)c2cnoc2-c2ccco2)C1 ZINC001033205631 689425685 /nfs/dbraw/zinc/42/56/85/689425685.db2.gz DSTNJXRMFAYKNV-ZDUSSCGKSA-N 0 3 313.357 2.104 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033227985 689431993 /nfs/dbraw/zinc/43/19/93/689431993.db2.gz HWKPNZIMJSPLMW-CQSZACIVSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033255343 689441169 /nfs/dbraw/zinc/44/11/69/689441169.db2.gz JUXRFIURSRQIOY-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2nc(C)n3ccccc23)C1 ZINC001033271283 689446229 /nfs/dbraw/zinc/44/62/29/689446229.db2.gz KYIGXWPVLSFLGT-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033460292 689508248 /nfs/dbraw/zinc/50/82/48/689508248.db2.gz NEAWBQDDZOVQSZ-MOPGFXCFSA-N 0 3 310.441 2.348 20 30 DEEDHN CC#CCN1CC[C@@H](N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001033463034 689509122 /nfs/dbraw/zinc/50/91/22/689509122.db2.gz GSXYXNNGKZPMHX-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874846941 689516600 /nfs/dbraw/zinc/51/66/00/689516600.db2.gz LUYRTWKXENIZFN-XKQJLSEDSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001033554173 689540376 /nfs/dbraw/zinc/54/03/76/689540376.db2.gz OZOWQQNUBNONDB-SFHVURJKSA-N 0 3 322.412 2.042 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001033578364 689549711 /nfs/dbraw/zinc/54/97/11/689549711.db2.gz JVEMPRQAMFZEDM-MRXNPFEDSA-N 0 3 318.465 2.342 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033632977 689566647 /nfs/dbraw/zinc/56/66/47/689566647.db2.gz JWYFWLAQGRSIKV-GFCCVEGCSA-N 0 3 318.808 2.462 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccnc2OC(C)C)C1 ZINC001033727091 689597960 /nfs/dbraw/zinc/59/79/60/689597960.db2.gz GXCQGAWYTTUSSQ-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001033865354 689643758 /nfs/dbraw/zinc/64/37/58/689643758.db2.gz RHSSDJZADSUOFS-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001033874117 689646139 /nfs/dbraw/zinc/64/61/39/689646139.db2.gz VEOGHRWHYMEOQC-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CC[C@H](COC)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000875572586 689652331 /nfs/dbraw/zinc/65/23/31/689652331.db2.gz HBCCPGXWZPWBGS-DJIMGWMZSA-N 0 3 317.433 2.015 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3ccncc3n2)C1 ZINC001033901096 689656034 /nfs/dbraw/zinc/65/60/34/689656034.db2.gz XVNXTEDCAKGRJW-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033903200 689657060 /nfs/dbraw/zinc/65/70/60/689657060.db2.gz DFGFRKSXXCXUEF-CQSZACIVSA-N 0 3 311.385 2.388 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033965815 689675433 /nfs/dbraw/zinc/67/54/33/689675433.db2.gz WBSOZIOJPBUQTR-CYBMUJFWSA-N 0 3 305.809 2.295 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033970114 689677076 /nfs/dbraw/zinc/67/70/76/689677076.db2.gz YXQJYRBQWJNJIR-OKZBNKHCSA-N 0 3 311.429 2.131 20 30 DEEDHN CC(C)=CCN1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034165092 689750946 /nfs/dbraw/zinc/75/09/46/689750946.db2.gz JYZDFXVWEMTJQA-HNNXBMFYSA-N 0 3 300.406 2.437 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001034210944 689764846 /nfs/dbraw/zinc/76/48/46/689764846.db2.gz WQHWGAODHZILKY-HNNXBMFYSA-N 0 3 314.433 2.216 20 30 DEEDHN CC#CCN1CCCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034210728 689764923 /nfs/dbraw/zinc/76/49/23/689764923.db2.gz JDRBZLMEOPVWNV-QGZVFWFLSA-N 0 3 319.493 2.245 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034219061 689767662 /nfs/dbraw/zinc/76/76/62/689767662.db2.gz KALOAKSLXQXNNW-AWEZNQCLSA-N 0 3 316.449 2.315 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001034247751 689779806 /nfs/dbraw/zinc/77/98/06/689779806.db2.gz RYCIIKHPPWKLOH-OAHLLOKOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001034263595 689786952 /nfs/dbraw/zinc/78/69/52/689786952.db2.gz ZNJCZOQLLATINN-HNNXBMFYSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001034296317 689799080 /nfs/dbraw/zinc/79/90/80/689799080.db2.gz OPKLOZUGDYAOEV-AWEZNQCLSA-N 0 3 304.390 2.034 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000876555872 689855193 /nfs/dbraw/zinc/85/51/93/689855193.db2.gz GZWAJSDTRLDWMP-CYBMUJFWSA-N 0 3 321.808 2.331 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000876562020 689857653 /nfs/dbraw/zinc/85/76/53/689857653.db2.gz NZXRSXTZJZHVDG-LLVKDONJSA-N 0 3 304.724 2.374 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC001034472752 689862947 /nfs/dbraw/zinc/86/29/47/689862947.db2.gz YHSKSCIRXYFOCY-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001034549464 689895318 /nfs/dbraw/zinc/89/53/18/689895318.db2.gz KQDIILHBBKTGJU-GDBMZVCRSA-N 0 3 300.402 2.319 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2csc(COC)n2)C1 ZINC001034551373 689896504 /nfs/dbraw/zinc/89/65/04/689896504.db2.gz GFOXCTXKGURBCH-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001034551801 689896701 /nfs/dbraw/zinc/89/67/01/689896701.db2.gz VJQZKQFEWLVIRU-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CC(=O)OCC)c1 ZINC000876673768 689896781 /nfs/dbraw/zinc/89/67/81/689896781.db2.gz RJZJHJUQPODPTQ-ZDUSSCGKSA-N 0 3 310.781 2.201 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000876682069 689900307 /nfs/dbraw/zinc/90/03/07/689900307.db2.gz DNHFHIUTMSKPOF-NWDGAFQWSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000876682936 689900898 /nfs/dbraw/zinc/90/08/98/689900898.db2.gz NYXPMOZNXINMBN-PWSUYJOCSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1O[C@@H]1CCOC1 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C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000876973798 689986899 /nfs/dbraw/zinc/98/68/99/689986899.db2.gz PSRBMMZLVJUETD-CABCVRRESA-N 0 3 307.825 2.194 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000876979268 689988844 /nfs/dbraw/zinc/98/88/44/689988844.db2.gz ZFWYDKBVJRTASQ-HNNXBMFYSA-N 0 3 321.852 2.422 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CN[C@H](C)c2n[nH]c(C)n2)C1 ZINC001035044368 690020229 /nfs/dbraw/zinc/02/02/29/690020229.db2.gz GCHRNXUMMVKCOA-TZMCWYRMSA-N 0 3 317.437 2.111 20 30 DEEDHN CN(CCc1cccc(C#N)c1)C(=O)c1cccc2c1CNC2 ZINC000877224300 690050110 /nfs/dbraw/zinc/05/01/10/690050110.db2.gz WBTCSAPUKOQMLG-UHFFFAOYSA-N 0 3 305.381 2.476 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C)cc(C)n1)CC2 ZINC001035740557 690165077 /nfs/dbraw/zinc/16/50/77/690165077.db2.gz WHYHHUDWXMNPJZ-UHFFFAOYSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C)c(C)cn1)CC2 ZINC001035753482 690168478 /nfs/dbraw/zinc/16/84/78/690168478.db2.gz XAKCNGXBKMCSKR-UHFFFAOYSA-N 0 3 311.429 2.260 20 30 DEEDHN C=C1CCC(C(=O)N2CCC3(CN(CCCO)C3)CC2)CC1 ZINC001035786255 690175957 /nfs/dbraw/zinc/17/59/57/690175957.db2.gz CUSXDPSZVQEHFU-UHFFFAOYSA-N 0 3 306.450 2.040 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ncoc1C(C)C)CC2 ZINC001035832671 690187885 /nfs/dbraw/zinc/18/78/85/690187885.db2.gz NXBYKXSPLUXNFE-UHFFFAOYSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC001035843668 690191537 /nfs/dbraw/zinc/19/15/37/690191537.db2.gz XFCYQSSNDPXKOZ-UHFFFAOYSA-N 0 3 312.413 2.257 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC3(CCNC3=O)CC2)cc1 ZINC000877783039 690227052 /nfs/dbraw/zinc/22/70/52/690227052.db2.gz AGPZVOGMRCERTP-AWEZNQCLSA-N 0 3 313.401 2.080 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3cc(C)[nH]n3)CC[C@@H]21 ZINC001036659360 690424151 /nfs/dbraw/zinc/42/41/51/690424151.db2.gz YFCUOGQMWQRYOM-JSGCOSHPSA-N 0 3 308.813 2.007 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3CCF)C2)cc1 ZINC001036788087 690474810 /nfs/dbraw/zinc/47/48/10/690474810.db2.gz WPAVMMLRIPGVNV-DLBZAZTESA-N 0 3 300.377 2.174 20 30 DEEDHN CC1(C)OC[C@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000879024013 690551797 /nfs/dbraw/zinc/55/17/97/690551797.db2.gz TYHGBMVQIRTGNQ-HNNXBMFYSA-N 0 3 301.390 2.284 20 30 DEEDHN Cc1nsc(NC(=O)N2CCN(C)C(C)(C)CC2)c1C#N ZINC000879527262 690662605 /nfs/dbraw/zinc/66/26/05/690662605.db2.gz IMGZBGGLEDFZKE-UHFFFAOYSA-N 0 3 307.423 2.271 20 30 DEEDHN CC1(C)OC[C@@H](CCN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586423 690681726 /nfs/dbraw/zinc/68/17/26/690681726.db2.gz LYQDPPXSOCVVKM-QGZVFWFLSA-N 0 3 315.417 2.222 20 30 DEEDHN N#Cc1ccc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000879586569 690681805 /nfs/dbraw/zinc/68/18/05/690681805.db2.gz NTHWJSNHMSSUBT-FQEVSTJZSA-N 0 3 321.424 2.284 20 30 DEEDHN COC(=O)CCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879587393 690682015 /nfs/dbraw/zinc/68/20/15/690682015.db2.gz SPUYWNGEWHYXPO-UHFFFAOYSA-N 0 3 301.390 2.024 20 30 DEEDHN COCCN(Cc1cc(C#N)ccc1OC)C1CCOCC1 ZINC000879708982 690712636 /nfs/dbraw/zinc/71/26/36/690712636.db2.gz CMIQDITZLSYDDV-UHFFFAOYSA-N 0 3 304.390 2.194 20 30 DEEDHN C[C@@H](C#N)OCCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880026891 690784345 /nfs/dbraw/zinc/78/43/45/690784345.db2.gz MMGRQOJKTPXHJM-VBQJREDUSA-N 0 3 323.437 2.104 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038396945 690805340 /nfs/dbraw/zinc/80/53/40/690805340.db2.gz VSUDVESXEXPSGI-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)Cc2c[nH]nc21 ZINC000931457680 694401434 /nfs/dbraw/zinc/40/14/34/694401434.db2.gz LWHKZXZMPWGZFN-LBPRGKRZSA-N 0 3 309.373 2.229 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)cc(=O)oc1C ZINC001038481735 690836237 /nfs/dbraw/zinc/83/62/37/690836237.db2.gz RHSIULYDYSOSJM-CQSZACIVSA-N 0 3 304.390 2.027 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cnn2cccc(Cl)c12 ZINC001038488022 690838444 /nfs/dbraw/zinc/83/84/44/690838444.db2.gz BNQYTQBOVSAZFX-LBPRGKRZSA-N 0 3 318.808 2.368 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001038504266 690842659 /nfs/dbraw/zinc/84/26/59/690842659.db2.gz MGMYQUWYBXQEKB-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038551927 690856075 /nfs/dbraw/zinc/85/60/75/690856075.db2.gz GEZLTDAJDVYOGW-HNNXBMFYSA-N 0 3 302.422 2.118 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001038760594 690917216 /nfs/dbraw/zinc/91/72/16/690917216.db2.gz HHOHENLDESQWQT-RDJZCZTQSA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001039037620 691000020 /nfs/dbraw/zinc/00/00/20/691000020.db2.gz COIMQRBZPVWPSO-GFCCVEGCSA-N 0 3 300.362 2.050 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039040889 691001902 /nfs/dbraw/zinc/00/19/02/691001902.db2.gz WTXPJRFQRUGIBX-QGZVFWFLSA-N 0 3 301.434 2.128 20 30 DEEDHN N#Cc1ccc(OCCCN2CCc3nccc(N)c3C2)cc1 ZINC000931509792 694415732 /nfs/dbraw/zinc/41/57/32/694415732.db2.gz UWKKMAAXKHLPLM-UHFFFAOYSA-N 0 3 308.385 2.363 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692987245 /nfs/dbraw/zinc/98/72/45/692987245.db2.gz OMNZDTVMDIIRDQ-GJZGRUSLSA-N 0 3 315.417 2.418 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)c1cccnc1 ZINC001049761185 692990965 /nfs/dbraw/zinc/99/09/65/692990965.db2.gz GHTILCLIJCJIBX-KBAYOESNSA-N 0 3 311.429 2.274 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccnc(N(C)C)c1 ZINC001049765720 692992190 /nfs/dbraw/zinc/99/21/90/692992190.db2.gz XFJIIUZEJZEUSC-CVEARBPZSA-N 0 3 314.433 2.013 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(COC)on1 ZINC001049766765 692993005 /nfs/dbraw/zinc/99/30/05/692993005.db2.gz NBBHWWLDHJLKJM-HZPDHXFCSA-N 0 3 319.405 2.076 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2cccnn21 ZINC001049772612 692996042 /nfs/dbraw/zinc/99/60/42/692996042.db2.gz JWMUKUUHOGLYMF-JKSUJKDBSA-N 0 3 310.401 2.199 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)nn(CC)c1C ZINC001049787533 693001730 /nfs/dbraw/zinc/00/17/30/693001730.db2.gz JCQSGRWBGQSQCG-HZPDHXFCSA-N 0 3 316.449 2.385 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2nc[nH]c21 ZINC001049806869 693006860 /nfs/dbraw/zinc/00/68/60/693006860.db2.gz KRQGLTVWRJXRDM-IAGOWNOFSA-N 0 3 322.412 2.265 20 30 DEEDHN Cc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1C#N ZINC000896685038 693008253 /nfs/dbraw/zinc/00/82/53/693008253.db2.gz GHWPKELOCYELKY-DLBZAZTESA-N 0 3 312.417 2.245 20 30 DEEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnoc1C1CC1 ZINC001049821275 693012098 /nfs/dbraw/zinc/01/20/98/693012098.db2.gz VJVYNXGZWSGMIJ-HZPDHXFCSA-N 0 3 313.401 2.254 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c2ccccc2nn1C ZINC001049823377 693012389 /nfs/dbraw/zinc/01/23/89/693012389.db2.gz ARLSYZSOFBKOML-SJORKVTESA-N 0 3 324.428 2.438 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnn(CC2CC2)c1 ZINC001049835781 693016245 /nfs/dbraw/zinc/01/62/45/693016245.db2.gz SAPJJHUIXVTBCC-IAGOWNOFSA-N 0 3 314.433 2.158 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2nccn2c1 ZINC001049837835 693016353 /nfs/dbraw/zinc/01/63/53/693016353.db2.gz RYTVUTPMMOYQSM-JKSUJKDBSA-N 0 3 310.401 2.199 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnn(C)c1C(F)F ZINC001049842364 693017893 /nfs/dbraw/zinc/01/78/93/693017893.db2.gz KJBRJOCSAFIWDQ-CHWSQXEVSA-N 0 3 324.375 2.223 20 30 DEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCc1ccc(C)o1 ZINC001049909732 693044666 /nfs/dbraw/zinc/04/46/66/693044666.db2.gz CAQHFLQPKRTOJC-SJORKVTESA-N 0 3 300.402 2.219 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ncoc3CC)[C@@H]2C1 ZINC001050003385 693076338 /nfs/dbraw/zinc/07/63/38/693076338.db2.gz XOYYKZGOLYWVOW-UONOGXRCSA-N 0 3 303.406 2.350 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3c(C)nn(C)c3C)[C@@H]2C1 ZINC001050106991 693109490 /nfs/dbraw/zinc/10/94/90/693109490.db2.gz RUVMBXBCXXVHOE-JKSUJKDBSA-N 0 3 316.449 2.149 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001050115297 693112194 /nfs/dbraw/zinc/11/21/94/693112194.db2.gz TZTJUFCKGRSOHI-FRRDWIJNSA-N 0 3 302.340 2.131 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cnn(C(F)F)c3)[C@@H]2C1 ZINC001050173432 693129243 /nfs/dbraw/zinc/12/92/43/693129243.db2.gz KGLUMAAPXSFMNK-WCQYABFASA-N 0 3 310.348 2.001 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCc3cscn3)[C@@H]2C1 ZINC001050213298 693140358 /nfs/dbraw/zinc/14/03/58/693140358.db2.gz LKGVAZFWYIJJGR-DZGCQCFKSA-N 0 3 305.447 2.185 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C3CCOCC3)[C@@H]2C1 ZINC001050219044 693141660 /nfs/dbraw/zinc/14/16/60/693141660.db2.gz UOJFFRHJALECOP-HYVNUMGLSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccn4ccccc34)C2)CC1 ZINC001050588487 693212528 /nfs/dbraw/zinc/21/25/28/693212528.db2.gz YQXFNNRSEFAZLK-UHFFFAOYSA-N 0 3 307.397 2.111 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)C[C@@H]3CCC(C)(C)CO3)C2)CC1 ZINC001050597168 693214271 /nfs/dbraw/zinc/21/42/71/693214271.db2.gz JUIJQXAMTWUQLH-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)C(F)(F)F)C2)CC1 ZINC001050616817 693217087 /nfs/dbraw/zinc/21/70/87/693217087.db2.gz RXRLGCAKBGDEGN-GFCCVEGCSA-N 0 3 302.340 2.133 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cc[nH]c3C3CCC3)C2)CC1 ZINC001050663422 693227593 /nfs/dbraw/zinc/22/75/93/693227593.db2.gz UKOOBSGOECGXJT-UHFFFAOYSA-N 0 3 311.429 2.453 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)Cc3ccc(CC)cc3)C2)CC1 ZINC001050682101 693231159 /nfs/dbraw/zinc/23/11/59/693231159.db2.gz AQMQQBBIIASTAZ-UHFFFAOYSA-N 0 3 310.441 2.349 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CO[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC001050685070 693232196 /nfs/dbraw/zinc/23/21/96/693232196.db2.gz WWGKSZDRCOHCPX-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CC[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC001050741497 693242933 /nfs/dbraw/zinc/24/29/33/693242933.db2.gz LHRFYXXZSGLUQU-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CN(CC)CC)C1 ZINC001051459715 693360492 /nfs/dbraw/zinc/36/04/92/693360492.db2.gz LRVZWLDMNDQINQ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N2CCN(CCC)CC2)C1 ZINC001052060300 693435535 /nfs/dbraw/zinc/43/55/35/693435535.db2.gz BPWBABLKKHJRRM-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001052059757 693435783 /nfs/dbraw/zinc/43/57/83/693435783.db2.gz OOJRPQPHZIMKIB-QGZVFWFLSA-N 0 3 319.493 2.217 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](NC(=O)c3cn[nH]c3)CC2)c1 ZINC001052229203 693482439 /nfs/dbraw/zinc/48/24/39/693482439.db2.gz ICVASOVZWVITJP-QGZVFWFLSA-N 0 3 323.400 2.066 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000926870369 693521075 /nfs/dbraw/zinc/52/10/75/693521075.db2.gz AHBJJSPQOAHBON-KRWDZBQOSA-N 0 3 314.433 2.492 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccnn2CC(C)C)CC1 ZINC001052419792 693529568 /nfs/dbraw/zinc/52/95/68/693529568.db2.gz WNOOTOJGNKPGOV-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc3c2O[C@H](C)C3)CC1 ZINC001052568902 693570429 /nfs/dbraw/zinc/57/04/29/693570429.db2.gz SNUFBSFFQBHGAK-GDBMZVCRSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001052570197 693571115 /nfs/dbraw/zinc/57/11/15/693571115.db2.gz WOQHQYMAMLYTNJ-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc3n[nH]cc32)CC1 ZINC001052610899 693579288 /nfs/dbraw/zinc/57/92/88/693579288.db2.gz KUARTHUBXKHHFC-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)CC1 ZINC001052645382 693587262 /nfs/dbraw/zinc/58/72/62/693587262.db2.gz NMVZPCQGLZBZEJ-HOCLYGCPSA-N 0 3 312.413 2.400 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CC2CC(OCC)C2)CC1 ZINC001052645802 693587881 /nfs/dbraw/zinc/58/78/81/693587881.db2.gz VYHNXIKDNXVNOL-AQFXKWCLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3ccccc3n2C)CC1 ZINC001052665968 693591774 /nfs/dbraw/zinc/59/17/74/693591774.db2.gz KBPUDTYNRHWSJK-MRXNPFEDSA-N 0 3 309.413 2.396 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2F)CC1 ZINC001052737901 693606722 /nfs/dbraw/zinc/60/67/22/693606722.db2.gz WLTBQJRQGJKPMV-CYBMUJFWSA-N 0 3 306.356 2.491 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccn(C(C)C)n2)CC1 ZINC001052763495 693614169 /nfs/dbraw/zinc/61/41/69/693614169.db2.gz DQJLQJOSSBABAK-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2sc(C)cc2OC)CC1 ZINC001052763328 693614346 /nfs/dbraw/zinc/61/43/46/693614346.db2.gz GMJIRPQMYIICBG-ZDUSSCGKSA-N 0 3 306.431 2.283 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)CC1 ZINC001052778919 693618175 /nfs/dbraw/zinc/61/81/75/693618175.db2.gz TWQVVLMUSMPRJW-CQSZACIVSA-N 0 3 301.390 2.078 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC001052793770 693620504 /nfs/dbraw/zinc/62/05/04/693620504.db2.gz CLSVAJRYZDLOGN-OAHLLOKOSA-N 0 3 310.401 2.089 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3c(C)cccn3c2)CC1 ZINC001052862979 693635951 /nfs/dbraw/zinc/63/59/51/693635951.db2.gz DFCDOFUFTOWWOY-KRWDZBQOSA-N 0 3 309.413 2.465 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2ccc(OC)cc2)CC1 ZINC001052891130 693643014 /nfs/dbraw/zinc/64/30/14/693643014.db2.gz KRNHSDLKMDXCDF-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC001052906620 693646178 /nfs/dbraw/zinc/64/61/78/693646178.db2.gz ZLJILYUMGURCMF-KRWDZBQOSA-N 0 3 324.428 2.099 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC001052966399 693658355 /nfs/dbraw/zinc/65/83/55/693658355.db2.gz USWGVVSRSRFIMM-FXAWDEMLSA-N 0 3 310.441 2.494 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)CC1 ZINC001052983395 693661660 /nfs/dbraw/zinc/66/16/60/693661660.db2.gz KSHPWZMMRXXCOF-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc(C)no2)C1 ZINC001053070011 693683132 /nfs/dbraw/zinc/68/31/32/693683132.db2.gz RXLPKYPXZKPVBD-HOTGVXAUSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccns2)C1 ZINC001053087854 693686339 /nfs/dbraw/zinc/68/63/39/693686339.db2.gz OTRZMOUVRBORBQ-CABCVRRESA-N 0 3 317.458 2.483 20 30 DEEDHN C[C@H]1COC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000932499086 694626629 /nfs/dbraw/zinc/62/66/29/694626629.db2.gz JHVOUTUCQYZHAL-WFASDCNBSA-N 0 3 321.808 2.211 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001332050429 1149813593 /nfs/dbraw/zinc/81/35/93/1149813593.db2.gz PJDAMJJVJHSZFL-YOEHRIQHSA-N 0 3 322.412 2.293 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2nccn2c1)C1CC1 ZINC001402371480 1162335535 /nfs/dbraw/zinc/33/55/35/1162335535.db2.gz WCBXJPTXVXNTBU-CQSZACIVSA-N 0 3 318.808 2.185 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001402507035 1162374120 /nfs/dbraw/zinc/37/41/20/1162374120.db2.gz AHEAYHWPHUIIQJ-MGPQQGTHSA-N 0 3 307.344 2.182 20 30 DEEDHN COc1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)nc1 ZINC001343056438 1150667531 /nfs/dbraw/zinc/66/75/31/1150667531.db2.gz PQFNYGNXJUXPKB-ZBFHGGJFSA-N 0 3 316.405 2.165 20 30 DEEDHN COCCOc1cncc(C(=O)C(C#N)c2cccc(F)n2)c1 ZINC001343369647 1150738046 /nfs/dbraw/zinc/73/80/46/1150738046.db2.gz XWJHBIXGHUXRIP-ZDUSSCGKSA-N 0 3 315.304 2.131 20 30 DEEDHN CC1(CC(=O)C(C#N)C(=O)Nc2ccccc2Cl)COC1 ZINC001343590567 1150754705 /nfs/dbraw/zinc/75/47/05/1150754705.db2.gz PTWNLLQDPXNBNV-SNVBAGLBSA-N 0 3 306.749 2.414 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001344299865 1150815973 /nfs/dbraw/zinc/81/59/73/1150815973.db2.gz UMRVKMDLGOFHAN-XHSDSOJGSA-N 0 3 323.481 2.084 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001344546169 1150829118 /nfs/dbraw/zinc/82/91/18/1150829118.db2.gz FURHOTFJEJVJNP-BBWFWOEESA-N 0 3 323.481 2.001 20 30 DEEDHN CCOc1ccc(CCNC(=O)[C@H](N)CCCCC#N)cc1 ZINC001345738766 1150911869 /nfs/dbraw/zinc/91/18/69/1150911869.db2.gz JZZJKOCCZIJWRD-MRXNPFEDSA-N 0 3 303.406 2.155 20 30 DEEDHN C#CC[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001348177960 1151128808 /nfs/dbraw/zinc/12/88/08/1151128808.db2.gz DTEDJNFBNWEENC-MRXNPFEDSA-N 0 3 320.392 2.021 20 30 DEEDHN C=C(CC)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001348496019 1151164008 /nfs/dbraw/zinc/16/40/08/1151164008.db2.gz VEXJDGYYHMSZIE-QGZVFWFLSA-N 0 3 302.418 2.360 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001356387921 1152078874 /nfs/dbraw/zinc/07/88/74/1152078874.db2.gz ZLEZXVOKPMKVBU-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001358429825 1152385826 /nfs/dbraw/zinc/38/58/26/1152385826.db2.gz ZNVUSKGBJPAQQR-PMPSAXMXSA-N 0 3 319.449 2.205 20 30 DEEDHN C[C@@H](OCC1CC1)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001402843775 1162494261 /nfs/dbraw/zinc/49/42/61/1162494261.db2.gz BELHHRLANYTVFN-NWDGAFQWSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@H](CNC(=O)C1CC(F)(F)C1)NCc1ccc(C#N)s1 ZINC001402880132 1162514171 /nfs/dbraw/zinc/51/41/71/1162514171.db2.gz ZNQOLXLKXGXVSD-SECBINFHSA-N 0 3 313.373 2.259 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CC(C)(C)COC)C1 ZINC001381327531 1153006169 /nfs/dbraw/zinc/00/61/69/1153006169.db2.gz BUGYOXLAIRJAJS-UHFFFAOYSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(NC(=O)CN(C)CCC)CCC[C@H]12 ZINC001382338485 1153429337 /nfs/dbraw/zinc/42/93/37/1153429337.db2.gz PCVBFOWYBFPRHJ-HOCLYGCPSA-N 0 3 313.873 2.194 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001388681899 1155065542 /nfs/dbraw/zinc/06/55/42/1155065542.db2.gz KGVPMSSJFQUHJB-OKILXGFUSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccc(OC)cc2)C1 ZINC001388737875 1155078154 /nfs/dbraw/zinc/07/81/54/1155078154.db2.gz YEKGUHUIPCJNJR-SHTZXODSSA-N 0 3 322.836 2.475 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)co1 ZINC001390345917 1155663866 /nfs/dbraw/zinc/66/38/66/1155663866.db2.gz QQFBHQGSEZMGBC-SNVBAGLBSA-N 0 3 303.387 2.429 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001371166439 1155753623 /nfs/dbraw/zinc/75/36/23/1155753623.db2.gz QBEYXIAOKCQRAJ-RYUDHWBXSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H]1CC1(F)F ZINC001390665499 1155832352 /nfs/dbraw/zinc/83/23/52/1155832352.db2.gz WBSSDCHTWUDHNT-BDAKNGLRSA-N 0 3 311.170 2.035 20 30 DEEDHN CCOCC(=O)N[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001371624951 1155886679 /nfs/dbraw/zinc/88/66/79/1155886679.db2.gz FINNFXQPOITZGQ-IRXDYDNUSA-N 0 3 315.417 2.112 20 30 DEEDHN CCOCC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001371624961 1155886929 /nfs/dbraw/zinc/88/69/29/1155886929.db2.gz FINNFXQPOITZGQ-SJORKVTESA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001391295593 1156319384 /nfs/dbraw/zinc/31/93/84/1156319384.db2.gz MMAZOPLDHBRADU-QWHCGFSZSA-N 0 3 316.430 2.108 20 30 DEEDHN COCC(=O)NCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC001391830868 1156812129 /nfs/dbraw/zinc/81/21/29/1156812129.db2.gz IETPFVGBHBJRKU-UHFFFAOYSA-N 0 3 323.396 2.111 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C[C@H]1CCCCO1 ZINC001392471354 1157063230 /nfs/dbraw/zinc/06/32/30/1157063230.db2.gz YQFQXOFFTHUPMY-CHWSQXEVSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2cnccn2)CCCC1 ZINC001373860628 1157415017 /nfs/dbraw/zinc/41/50/17/1157415017.db2.gz LGRXHKKBPLQKFL-UHFFFAOYSA-N 0 3 322.840 2.180 20 30 DEEDHN C[C@@](CNCc1cc(C#N)ccc1F)(NC(=O)C1CC1)C1CC1 ZINC001373865292 1157420809 /nfs/dbraw/zinc/42/08/09/1157420809.db2.gz NQFYCWIWGZMFRF-SFHVURJKSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cncn2C)CCCC[C@@H]1C ZINC001373901377 1157448643 /nfs/dbraw/zinc/44/86/43/1157448643.db2.gz IWIKMQJAYBEVSB-BLLLJJGKSA-N 0 3 324.856 2.441 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001403432776 1162880223 /nfs/dbraw/zinc/88/02/23/1162880223.db2.gz BWHULYJBRFVOCU-IHRRRGAJSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2cccnc2)C1 ZINC001403439795 1162882578 /nfs/dbraw/zinc/88/25/78/1162882578.db2.gz PDTVWERSKSIPJV-SHTZXODSSA-N 0 3 307.825 2.251 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001393099587 1157681224 /nfs/dbraw/zinc/68/12/24/1157681224.db2.gz FTXLRWSKYDKBAG-UGSOOPFHSA-N 0 3 310.401 2.408 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@@H](F)C2)CCOCC1 ZINC001393716594 1157922961 /nfs/dbraw/zinc/92/29/61/1157922961.db2.gz RVKMHODISZHBAN-CHWSQXEVSA-N 0 3 318.820 2.132 20 30 DEEDHN CCO[C@@H](C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001393792370 1157987223 /nfs/dbraw/zinc/98/72/23/1157987223.db2.gz NGZLQMYMOWAELH-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1cncs1 ZINC001374737066 1157993809 /nfs/dbraw/zinc/99/38/09/1157993809.db2.gz GGNHJANWVBTPER-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2cscn2)C1 ZINC001393905293 1158057892 /nfs/dbraw/zinc/05/78/92/1158057892.db2.gz CGNGKFNTEZFLMM-UHFFFAOYSA-N 0 3 313.854 2.313 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C[C@@H]1CCCO1 ZINC001375011475 1158200908 /nfs/dbraw/zinc/20/09/08/1158200908.db2.gz UNCVLKDCZYCBBU-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394050664 1158210880 /nfs/dbraw/zinc/21/08/80/1158210880.db2.gz UGGNHCFCUAKOMU-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001492826796 1158223535 /nfs/dbraw/zinc/22/35/35/1158223535.db2.gz JCBONPBDKXIYGM-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H](CNCc1cc(F)ccc1F)C1CC1 ZINC001394413894 1158501419 /nfs/dbraw/zinc/50/14/19/1158501419.db2.gz HFTMMSWGUJGBTE-MEDUHNTESA-N 0 3 321.371 2.451 20 30 DEEDHN Cc1cc(C)cc(CN(C)CCNC(=O)c2cc(C#N)c[nH]2)c1 ZINC001403539554 1162979391 /nfs/dbraw/zinc/97/93/91/1162979391.db2.gz KDASKLIXVPRWCW-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001375527615 1158803461 /nfs/dbraw/zinc/80/34/61/1158803461.db2.gz XFVNBDMPFSSERL-UBHSHLNASA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(COCC)CC2)C1 ZINC001394852166 1158813661 /nfs/dbraw/zinc/81/36/61/1158813661.db2.gz AYYAZIGUJXGJKF-UHFFFAOYSA-N 0 3 300.830 2.135 20 30 DEEDHN Cc1oncc1CN1CC[C@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C1 ZINC001375695589 1158850271 /nfs/dbraw/zinc/85/02/71/1158850271.db2.gz XABQPNNCUNCBHW-WFASDCNBSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cncn1C ZINC001376019434 1159053987 /nfs/dbraw/zinc/05/39/87/1159053987.db2.gz RICHRNJATKRJAJ-QWHCGFSZSA-N 0 3 310.829 2.145 20 30 DEEDHN C[C@H](CNC(=O)c1cncc(F)c1)NCc1ccc(C#N)s1 ZINC001376707718 1159710048 /nfs/dbraw/zinc/71/00/48/1159710048.db2.gz QUEHZBLLHRVJNG-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001397110371 1159993226 /nfs/dbraw/zinc/99/32/26/1159993226.db2.gz LKDONTMADYYYNE-JTNHKYCSSA-N 0 3 307.344 2.109 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2CNC(=O)Cc2ccc[nH]2)cc1 ZINC001377413554 1160343224 /nfs/dbraw/zinc/34/32/24/1160343224.db2.gz DXHSFDGVSQDJMA-GOSISDBHSA-N 0 3 322.412 2.210 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2cnc(C)o2)C1 ZINC001397674889 1160393483 /nfs/dbraw/zinc/39/34/83/1160393483.db2.gz GNDZFAQQGORZON-QWHCGFSZSA-N 0 3 311.813 2.153 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)Cc3ccc[nH]3)C2)cc1 ZINC001399933965 1161611396 /nfs/dbraw/zinc/61/13/96/1161611396.db2.gz SGIIJHIOTMVUGP-QGZVFWFLSA-N 0 3 322.412 2.067 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](OC)C1CC1)C1CC1 ZINC001400981237 1161855054 /nfs/dbraw/zinc/85/50/54/1161855054.db2.gz WBWBBJOBDWKTJE-HIFRSBDPSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](OC)C2CC2)CCCC1 ZINC001401179365 1161888201 /nfs/dbraw/zinc/88/82/01/1161888201.db2.gz GZBVKCLNPMEFCJ-ZDUSSCGKSA-N 0 3 300.830 2.183 20 30 DEEDHN CCC(C)(CC)C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 ZINC001401562019 1162034776 /nfs/dbraw/zinc/03/47/76/1162034776.db2.gz HYLCCCYTTZLDFA-LBPRGKRZSA-N 0 3 323.462 2.013 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1c[nH]nc1C ZINC001402042849 1162225973 /nfs/dbraw/zinc/22/59/73/1162225973.db2.gz YCTDZSKKXBGZKE-TZMCWYRMSA-N 0 3 310.829 2.443 20 30 DEEDHN CCN(CCNC(=O)c1nccs1)Cc1cccc(C#N)c1 ZINC001403927558 1163302097 /nfs/dbraw/zinc/30/20/97/1163302097.db2.gz WHVGOMJZZOEJQU-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)CNCc2ccccc2C#N)on1 ZINC001405631742 1164167700 /nfs/dbraw/zinc/16/77/00/1164167700.db2.gz BCFHWEINZMQVLM-GFCCVEGCSA-N 0 3 312.373 2.010 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCCn2cccn2)CCCC1 ZINC001405774195 1164232683 /nfs/dbraw/zinc/23/26/83/1164232683.db2.gz MJGGKOKPHYTDLU-UHFFFAOYSA-N 0 3 324.856 2.434 20 30 DEEDHN CC(C)[C@@H](C[N-]C(=O)C(F)F)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001406013880 1164388722 /nfs/dbraw/zinc/38/87/22/1164388722.db2.gz WYRZOAGOYYEORO-CYBMUJFWSA-N 0 3 313.323 2.193 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H]1CCCCO1)C(C)C ZINC001406023133 1164394480 /nfs/dbraw/zinc/39/44/80/1164394480.db2.gz UYLNSRXJKNDUDJ-UONOGXRCSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H](C)n1cccn1)C(C)C ZINC001406081358 1164432017 /nfs/dbraw/zinc/43/20/17/1164432017.db2.gz VKMGBNJNOXKTBJ-UONOGXRCSA-N 0 3 312.845 2.317 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001417898714 1167291883 /nfs/dbraw/zinc/29/18/83/1167291883.db2.gz JRBXPNSGIUXOHI-TZMCWYRMSA-N 0 3 311.813 2.329 20 30 DEEDHN CO[C@H](C)CC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001417966188 1167334022 /nfs/dbraw/zinc/33/40/22/1167334022.db2.gz BCIDLRACRYQAIC-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN Cc1[nH]ccc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001418388585 1167619417 /nfs/dbraw/zinc/61/94/17/1167619417.db2.gz HSLCTSUSEDSMIC-ZDUSSCGKSA-N 0 3 310.401 2.493 20 30 DEEDHN Cc1ccncc1CNCc1ccc(CNC(=O)[C@H](C)C#N)cc1 ZINC001419380073 1168433602 /nfs/dbraw/zinc/43/36/02/1168433602.db2.gz OXQPNJZBRWTQFF-OAHLLOKOSA-N 0 3 322.412 2.456 20 30 DEEDHN CCc1noc(C)c1CNC1(CNC(=O)[C@@H](C)C#N)CCCC1 ZINC001419587586 1168630993 /nfs/dbraw/zinc/63/09/93/1168630993.db2.gz AUWRIBVWBIEOGC-LBPRGKRZSA-N 0 3 318.421 2.224 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001419623317 1168701762 /nfs/dbraw/zinc/70/17/62/1168701762.db2.gz XUHVGEPMRPZQLI-DOMZBBRYSA-N 0 3 324.856 2.312 20 30 DEEDHN C[C@H](CNC(=O)CC(F)(F)F)NCc1ccc(C#N)s1 ZINC001419702486 1168810079 /nfs/dbraw/zinc/81/00/79/1168810079.db2.gz HCRGVLADHSPLGJ-MRVPVSSYSA-N 0 3 305.325 2.166 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1c[nH]nc1C1CC1)C(C)C ZINC001419936465 1168961302 /nfs/dbraw/zinc/96/13/02/1168961302.db2.gz GAKOQAYUWIGLEE-CYBMUJFWSA-N 0 3 310.829 2.384 20 30 DEEDHN Cc1ccc(CN(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)cc1 ZINC001419961962 1169010755 /nfs/dbraw/zinc/01/07/55/1169010755.db2.gz YCGHMLDKWLGDLA-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccc2c(c1)CCO2 ZINC001420119489 1169175279 /nfs/dbraw/zinc/17/52/79/1169175279.db2.gz IDHIHCYUNQAIEE-CYBMUJFWSA-N 0 3 322.836 2.401 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001420123199 1169177694 /nfs/dbraw/zinc/17/76/94/1169177694.db2.gz ZZQDBDCCMIQZAB-LLVKDONJSA-N 0 3 311.813 2.255 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001420322256 1169357518 /nfs/dbraw/zinc/35/75/18/1169357518.db2.gz SEEAZBXCULWQSB-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN Cc1ncoc1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001420556620 1169790208 /nfs/dbraw/zinc/79/02/08/1169790208.db2.gz IOSPSWYCAQXOCU-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN Cc1cnccc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001421682724 1171898511 /nfs/dbraw/zinc/89/85/11/1171898511.db2.gz BGLBLDXZFLQYCB-CQSZACIVSA-N 0 3 322.412 2.417 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1CCC1CC1 ZINC001421954618 1172177199 /nfs/dbraw/zinc/17/71/99/1172177199.db2.gz QQHREVGRWXZURL-KSSFIOAISA-N 0 3 311.429 2.489 20 30 DEEDHN C[C@H]([N-]C(=O)C(C)(F)F)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001422298386 1172465870 /nfs/dbraw/zinc/46/58/70/1172465870.db2.gz PMLLARQTURLNBX-UWVGGRQHSA-N 0 3 313.323 2.335 20 30 DEEDHN CC[C@H](SC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001422633049 1172781522 /nfs/dbraw/zinc/78/15/22/1172781522.db2.gz MHUUOZGDYLQOJC-NHYWBVRUSA-N 0 3 323.437 2.433 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@H](C)NC(=O)[C@H](C)C#N ZINC001422634741 1172782193 /nfs/dbraw/zinc/78/21/93/1172782193.db2.gz ZBDVJKAKHPZVJP-MNOVXSKESA-N 0 3 309.797 2.103 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@H](C)NC(=O)[C@@H](C)C#N ZINC001422634743 1172782830 /nfs/dbraw/zinc/78/28/30/1172782830.db2.gz ZBDVJKAKHPZVJP-QWRGUYRKSA-N 0 3 309.797 2.103 20 30 DEEDHN CC(C)CC(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001422798986 1172869506 /nfs/dbraw/zinc/86/95/06/1172869506.db2.gz IDAFAKHDPZYANT-NNZMDNLPSA-N 0 3 311.429 2.398 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001422918671 1172932947 /nfs/dbraw/zinc/93/29/47/1172932947.db2.gz TZJRLIIYFVMBNY-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001423035106 1173032547 /nfs/dbraw/zinc/03/25/47/1173032547.db2.gz STEBUXCENQFZCZ-RYUDHWBXSA-N 0 3 323.437 2.385 20 30 DEEDHN CCOCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001424549097 1173827624 /nfs/dbraw/zinc/82/76/24/1173827624.db2.gz WPRQBRLDCACQTP-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)NCc1ccccc1F ZINC001424769875 1173915414 /nfs/dbraw/zinc/91/54/14/1173915414.db2.gz YUEUJLYGPWCYID-NWDGAFQWSA-N 0 3 314.364 2.322 20 30 DEEDHN Cc1cc(CN2CC([C@@H](C)NC(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001425226034 1174245896 /nfs/dbraw/zinc/24/58/96/1174245896.db2.gz BZXWNGLNNYWQNV-ZYHUDNBSSA-N 0 3 305.447 2.461 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2cccnc2C)C1 ZINC001425424478 1174315796 /nfs/dbraw/zinc/31/57/96/1174315796.db2.gz ZICNEHKUQOBKKX-CTYIDZIISA-N 0 3 307.825 2.169 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001425563883 1174375205 /nfs/dbraw/zinc/37/52/05/1174375205.db2.gz KGDLQKZFJYHLIJ-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN CC(C)c1cccc(CNC2CC(N(C)C(=O)[C@@H](C)C#N)C2)n1 ZINC001426231288 1174661674 /nfs/dbraw/zinc/66/16/74/1174661674.db2.gz GRQQYXZOKZAUFM-JEYLPNPQSA-N 0 3 314.433 2.444 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCn1cccn1 ZINC001436658067 1179170207 /nfs/dbraw/zinc/17/02/07/1179170207.db2.gz AFMSKODGPPEVEW-LSDHHAIUSA-N 0 3 324.856 2.385 20 30 DEEDHN C[C@@H](CNC(=O)C1(C2CC2)CC1)NCc1ccc(C#N)c(F)c1 ZINC001437145059 1179480823 /nfs/dbraw/zinc/48/08/23/1179480823.db2.gz AMESCDIIBHGJEJ-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CNC(=O)c1sccc1CN(C)C ZINC001437147487 1179487815 /nfs/dbraw/zinc/48/78/15/1179487815.db2.gz CFIGKNOXJUSLLV-NSHDSACASA-N 0 3 315.870 2.270 20 30 DEEDHN CCc1onc(C)c1CNCC1(NC(=O)[C@@H](C)C#N)CCCC1 ZINC001438387831 1180386619 /nfs/dbraw/zinc/38/66/19/1180386619.db2.gz XKDKOZYMMGQFBD-LBPRGKRZSA-N 0 3 318.421 2.224 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(C2CC2)CC1 ZINC001439221068 1180946211 /nfs/dbraw/zinc/94/62/11/1180946211.db2.gz NXDWSDPORKKWAH-NSHDSACASA-N 0 3 303.431 2.404 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)C1(C)CCC1 ZINC001439234079 1180955330 /nfs/dbraw/zinc/95/53/30/1180955330.db2.gz AMLBUOZTCXGNNU-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN CS[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439299270 1181002292 /nfs/dbraw/zinc/00/22/92/1181002292.db2.gz CZBAWYRXAHYSDH-QWHCGFSZSA-N 0 3 305.447 2.246 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)C[C@H](C)NC(=O)[C@H](C)C#N)c1 ZINC001439308985 1181009059 /nfs/dbraw/zinc/00/90/59/1181009059.db2.gz FIZUXAPYYIJSLP-CVEARBPZSA-N 0 3 317.433 2.278 20 30 DEEDHN COc1cc(CN(C)C[C@@H](C)NC(=O)[C@H](C)C#N)ccc1Cl ZINC001439314299 1181014488 /nfs/dbraw/zinc/01/44/88/1181014488.db2.gz QDKYNRDBMIQARY-VXGBXAGGSA-N 0 3 323.824 2.445 20 30 DEEDHN COc1cc(CN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)ccc1Cl ZINC001439314295 1181015156 /nfs/dbraw/zinc/01/51/56/1181015156.db2.gz QDKYNRDBMIQARY-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](OCC)C2CC2)C1 ZINC001440280327 1181423084 /nfs/dbraw/zinc/42/30/84/1181423084.db2.gz VQFQSJAQUQKRHZ-YUTCNCBUSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)COc2ccsc2)C1 ZINC001440314176 1181444152 /nfs/dbraw/zinc/44/41/52/1181444152.db2.gz UQJRCWMWCYOWRV-TXEJJXNPSA-N 0 3 314.838 2.364 20 30 DEEDHN Cc1ncoc1C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001440775914 1181684957 /nfs/dbraw/zinc/68/49/57/1181684957.db2.gz KVJRFWSXULHFTA-ZJUUUORDSA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001441140571 1181865883 /nfs/dbraw/zinc/86/58/83/1181865883.db2.gz PJGKOZPSTQOZKX-CJNGLKHVSA-N 0 3 315.392 2.456 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001441140579 1181866449 /nfs/dbraw/zinc/86/64/49/1181866449.db2.gz PJGKOZPSTQOZKX-CZUORRHYSA-N 0 3 315.392 2.456 20 30 DEEDHN COc1ccc(C)cc1CN[C@H](CNC(=O)[C@@H](C)C#N)C1CC1 ZINC001441175499 1181884018 /nfs/dbraw/zinc/88/40/18/1181884018.db2.gz NMKUAVJCVSRSLY-XJKSGUPXSA-N 0 3 315.417 2.148 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)C1CC1 ZINC001441218945 1181898790 /nfs/dbraw/zinc/89/87/90/1181898790.db2.gz BOFVQIVSDAVWFH-LLVKDONJSA-N 0 3 318.755 2.198 20 30 DEEDHN Cc1c[nH]cc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001442334430 1182424831 /nfs/dbraw/zinc/42/48/31/1182424831.db2.gz BWCNAZHBWCTTNC-CQSZACIVSA-N 0 3 310.401 2.493 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cccn1C ZINC001444572383 1183460810 /nfs/dbraw/zinc/46/08/10/1183460810.db2.gz DNGBPRDDPSOHCW-LBPRGKRZSA-N 0 3 316.430 2.209 20 30 DEEDHN CO[C@@H](C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001444597253 1183476407 /nfs/dbraw/zinc/47/64/07/1183476407.db2.gz JCPGOFQRJLYSBV-STQMWFEESA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@]12C[C@H]1CCC2 ZINC001445579284 1183916061 /nfs/dbraw/zinc/91/60/61/1183916061.db2.gz YVFDYNIIMLYCQG-HWWQOWPSSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)CCCn1ccnc1C ZINC001447891851 1184926393 /nfs/dbraw/zinc/92/63/93/1184926393.db2.gz GHAFLMRMWZFQCI-OLZOCXBDSA-N 0 3 312.845 2.207 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001447989804 1185003473 /nfs/dbraw/zinc/00/34/73/1185003473.db2.gz VSRHDIYPWXCSJI-STQMWFEESA-N 0 3 305.447 2.246 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001448497104 1185259065 /nfs/dbraw/zinc/25/90/65/1185259065.db2.gz PYEWYHLSVHAOIV-MQMHXKEQSA-N 0 3 322.840 2.459 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C(F)(F)F)ncn1 ZINC001448872129 1185444554 /nfs/dbraw/zinc/44/45/54/1185444554.db2.gz HUJZCPPHYDLFHQ-UHFFFAOYSA-N 0 3 316.327 2.075 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC)c(OC)c1 ZINC001448875903 1185444868 /nfs/dbraw/zinc/44/48/68/1185444868.db2.gz PNYFRNZUYKNJNQ-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CN(C)Cc1ccccc1 ZINC001448883471 1185446438 /nfs/dbraw/zinc/44/64/38/1185446438.db2.gz ODBISIMISFMNKU-UHFFFAOYSA-N 0 3 303.450 2.085 20 30 DEEDHN Cc1cccnc1CNC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001449303580 1185640383 /nfs/dbraw/zinc/64/03/83/1185640383.db2.gz SFQKCRIJFREIQP-UKRRQHHQSA-N 0 3 302.422 2.170 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](OCC)C(C)C)C1 ZINC001449378706 1185686796 /nfs/dbraw/zinc/68/67/96/1185686796.db2.gz HXSLDPJARAYOOR-JXQTWKCFSA-N 0 3 302.846 2.379 20 30 DEEDHN N#Cc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164727994 720326187 /nfs/dbraw/zinc/32/61/87/720326187.db2.gz VDQRAGVYXALYHW-IRXDYDNUSA-N 0 3 305.385 2.201 20 30 DEEDHN N#Cc1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164727992 720326812 /nfs/dbraw/zinc/32/68/12/720326812.db2.gz VDQRAGVYXALYHW-IAGOWNOFSA-N 0 3 305.385 2.201 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccnn1CCC)C(C)C ZINC001406049073 1164408176 /nfs/dbraw/zinc/40/81/76/1164408176.db2.gz PEFFLLQZYLVTKP-ZDUSSCGKSA-N 0 3 312.845 2.390 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NC/C=C\Cl)C[C@H]2C)cn1 ZINC001332047090 1149812508 /nfs/dbraw/zinc/81/25/08/1149812508.db2.gz IJGFTLRSAZYJCI-ZDRFKOLCSA-N 0 3 303.793 2.008 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)Oc3cccnc3)CCC[C@@H]12 ZINC001332109683 1149820309 /nfs/dbraw/zinc/82/03/09/1149820309.db2.gz GQUYXNJSQDJQBY-QGPMSJSTSA-N 0 3 315.417 2.148 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNCc1cscn1 ZINC001106107503 782245570 /nfs/dbraw/zinc/24/55/70/782245570.db2.gz CWCWCJJWRHJDRT-ZIAGYGMSSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)[C@@H]1C ZINC001332202346 1149834364 /nfs/dbraw/zinc/83/43/64/1149834364.db2.gz YHQRVZKMKMQYNB-DOTOQJQBSA-N 0 3 318.465 2.125 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCCn2ccnc2C)[C@H]1C ZINC001332206081 1149834679 /nfs/dbraw/zinc/83/46/79/1149834679.db2.gz MUFQDSHTHVRRBJ-GDBMZVCRSA-N 0 3 304.438 2.127 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CCC)OC ZINC001099171539 782391780 /nfs/dbraw/zinc/39/17/80/782391780.db2.gz QYYXCGOKOPMUTI-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](CNCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001106193583 782491785 /nfs/dbraw/zinc/49/17/85/782491785.db2.gz MUZKZJSGSHZMCP-GDBMZVCRSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)noc2C)CC(C)(C)C1 ZINC001089315097 782508768 /nfs/dbraw/zinc/50/87/68/782508768.db2.gz HURJMRJAWLAEDM-CQSZACIVSA-N 0 3 303.406 2.145 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC2(C)C)CC1(C)C ZINC001332413472 1149858208 /nfs/dbraw/zinc/85/82/08/1149858208.db2.gz NYEZBJZNSHWAKV-HZPDHXFCSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc2ccccc2s1 ZINC001332648673 1149876383 /nfs/dbraw/zinc/87/63/83/1149876383.db2.gz WHPXPUCMRAOXGO-AWEZNQCLSA-N 0 3 318.442 2.452 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H]1CCCc2n[nH]cc21)C(C)C ZINC001332706652 1149882266 /nfs/dbraw/zinc/88/22/66/1149882266.db2.gz DZBZXYYYTFAISM-CQSZACIVSA-N 0 3 304.438 2.184 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)OCC(C)C)CC1 ZINC001332939963 1149928878 /nfs/dbraw/zinc/92/88/78/1149928878.db2.gz HTBBRSSZDMYOSB-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN CC(C)C(=O)N(C)C1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001333034943 1149965368 /nfs/dbraw/zinc/96/53/68/1149965368.db2.gz FVKPDUIZFIDPEP-UHFFFAOYSA-N 0 3 302.393 2.412 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCc3ccncc3)CC2)CC1 ZINC001333181061 1150011664 /nfs/dbraw/zinc/01/16/64/1150011664.db2.gz LBIHVMYADOAZQR-UHFFFAOYSA-N 0 3 311.429 2.008 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(C)coc2C)[C@H](OC)C1 ZINC001212203428 782806106 /nfs/dbraw/zinc/80/61/06/782806106.db2.gz NJLWZENIYWAEBX-HUUCEWRRSA-N 0 3 306.406 2.292 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2oc(C)nc2C)CC(C)(C)C1 ZINC001089353484 782942906 /nfs/dbraw/zinc/94/29/06/782942906.db2.gz ZSUVZLLNSSUOMG-AWEZNQCLSA-N 0 3 303.406 2.145 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2C(F)F)CC(C)(C)C1 ZINC001089397503 783067255 /nfs/dbraw/zinc/06/72/55/783067255.db2.gz OAIACDJRFPZRRL-LBPRGKRZSA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3n2)CC(C)(C)C1 ZINC001089411292 783078053 /nfs/dbraw/zinc/07/80/53/783078053.db2.gz FWHUCNVYSJYNGC-HNNXBMFYSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)CC(C)(C)C1 ZINC001089447285 783113779 /nfs/dbraw/zinc/11/37/79/783113779.db2.gz FQOSFDUWSUQDFT-OAGGEKHMSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cncc(C)c2)CC(C)(C)C1 ZINC001089452082 783118311 /nfs/dbraw/zinc/11/83/11/783118311.db2.gz 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ZINC001209427437 776711885 /nfs/dbraw/zinc/71/18/85/776711885.db2.gz QNPCKENCIWGFKO-UHFFFAOYSA-N 0 3 304.438 2.471 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H](O)C1 ZINC001090759284 790494153 /nfs/dbraw/zinc/49/41/53/790494153.db2.gz HCBYXDUZBFOCHY-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)[C@@H](O)C1 ZINC001090767418 790501588 /nfs/dbraw/zinc/50/15/88/790501588.db2.gz JLFVENKJEPIUGA-CABCVRRESA-N 0 3 322.474 2.035 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2conc2CC)C1 ZINC001100591084 777370510 /nfs/dbraw/zinc/37/05/10/777370510.db2.gz MOIJMPVTFWCDIR-UHFFFAOYSA-N 0 3 317.433 2.415 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1c1ccccc1 ZINC001211605738 777536952 /nfs/dbraw/zinc/53/69/52/777536952.db2.gz WUDGHDZLQPYGID-ZWKOTPCHSA-N 0 3 307.397 2.236 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cnccc3C)C(C)(C)[C@H]21 ZINC001087280180 777708050 /nfs/dbraw/zinc/70/80/50/777708050.db2.gz LDEPXIJGCLQNQY-OIISXLGYSA-N 0 3 311.429 2.242 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1ccoc1 ZINC001087281482 777711976 /nfs/dbraw/zinc/71/19/76/777711976.db2.gz HNYFUNAISJCWCZ-BPQIPLTHSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cncc(F)c3)C(C)(C)[C@H]21 ZINC001087281783 777713771 /nfs/dbraw/zinc/71/37/71/777713771.db2.gz MITPQDPMWJRBTR-OAGGEKHMSA-N 0 3 315.392 2.073 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccn(C)c3)C(C)(C)[C@@H]21 ZINC001087282458 777716490 /nfs/dbraw/zinc/71/64/90/777716490.db2.gz YXJKVHBMQAPSDA-BRWVUGGUSA-N 0 3 313.445 2.267 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccncc3C)C(C)(C)[C@@H]21 ZINC001087285867 777729213 /nfs/dbraw/zinc/72/92/13/777729213.db2.gz HEMSPTVSNNOINJ-BRWVUGGUSA-N 0 3 311.429 2.242 20 30 DEEDHN C=CCn1ccc2c1ncnc2-n1nc(CN)c2ccccc21 ZINC001167696398 777874603 /nfs/dbraw/zinc/87/46/03/777874603.db2.gz ZUUJPXVTGOOTDJ-UHFFFAOYSA-N 0 3 304.357 2.415 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C ZINC001104703961 778032604 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C=CCN1CCC2(CN(C(=O)COc3ccccc3Cl)C2)C1 ZINC001073425214 790648502 /nfs/dbraw/zinc/64/85/02/790648502.db2.gz IOTXSMLOMQKUOV-UHFFFAOYSA-N 0 3 320.820 2.439 20 30 DEEDHN N#Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)[nH]1 ZINC001075700157 779026779 /nfs/dbraw/zinc/02/67/79/779026779.db2.gz FYXGDXYVTNWWQO-MAUKXSAKSA-N 0 3 320.396 2.233 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3sccc32)[C@H]1CC ZINC001087577038 779359904 /nfs/dbraw/zinc/35/99/04/779359904.db2.gz RRKJHWRRJKIEIR-QWHCGFSZSA-N 0 3 316.430 2.460 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccccc2F)C1 ZINC001073512131 790705786 /nfs/dbraw/zinc/70/57/86/790705786.db2.gz ANLAWFHPVQTGBX-CQSZACIVSA-N 0 3 306.381 2.223 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@H]1CC ZINC001087632425 779386221 /nfs/dbraw/zinc/38/62/21/779386221.db2.gz BIDAEQFKELZIKD-DLBZAZTESA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2CCC)[C@H]1CC ZINC001087639112 779394114 /nfs/dbraw/zinc/39/41/14/779394114.db2.gz FDDRLZUKXIIDSO-LSDHHAIUSA-N 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C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cnn(C)c2C)C1 ZINC001088263486 779861536 /nfs/dbraw/zinc/86/15/36/779861536.db2.gz GGDHJNLJVUGTRA-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001073618017 790744939 /nfs/dbraw/zinc/74/49/39/790744939.db2.gz RRUJGPMGWPVDJM-MSOLQXFVSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2=CCOCC2)C1 ZINC001088301355 779925647 /nfs/dbraw/zinc/92/56/47/779925647.db2.gz WBCDWVWBOVLNHE-HNNXBMFYSA-N 0 3 312.841 2.446 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001073625535 790750865 /nfs/dbraw/zinc/75/08/65/790750865.db2.gz GBKOCRUUFGBNLT-KRWDZBQOSA-N 0 3 317.433 2.095 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001088404817 780078348 /nfs/dbraw/zinc/07/83/48/780078348.db2.gz HEEWRRYFCASEBR-CYBMUJFWSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001073657616 790770600 /nfs/dbraw/zinc/77/06/00/790770600.db2.gz 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C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C1 ZINC001076034842 781092187 /nfs/dbraw/zinc/09/21/87/781092187.db2.gz GZPWMIIOEJKVIK-SUMWQHHRSA-N 0 3 310.401 2.285 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(F)c(OC)c3)[C@@H]2C1 ZINC001076274719 781196056 /nfs/dbraw/zinc/19/60/56/781196056.db2.gz PRWZBQBALDIIFT-GOEBONIOSA-N 0 3 316.376 2.004 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nn(C)c(C)c3Cl)[C@@H]2C1 ZINC001076303574 781202970 /nfs/dbraw/zinc/20/29/70/781202970.db2.gz ZWOSOSOESFIENJ-QWHCGFSZSA-N 0 3 322.840 2.104 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)[C@@H]2C1 ZINC001076297193 781206355 /nfs/dbraw/zinc/20/63/55/781206355.db2.gz MPACIUBTHMIOPU-BBWFWOEESA-N 0 3 300.377 2.253 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@H]3CN(CC=C)C[C@H]32)cc1 ZINC001076334322 781218456 /nfs/dbraw/zinc/21/84/56/781218456.db2.gz VQUKEUJHUMZKLF-FUHWJXTLSA-N 0 3 310.397 2.031 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nc(CC)oc3C)[C@@H]2C1 ZINC001076349704 781230295 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C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001077360857 781557077 /nfs/dbraw/zinc/55/70/77/781557077.db2.gz AFONEIQCLWBWBX-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3CC3)C2)c1 ZINC001098674270 781720022 /nfs/dbraw/zinc/72/00/22/781720022.db2.gz IDWLPHWHPGHNQO-HKUYNNGSSA-N 0 3 309.413 2.439 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001060263523 781753119 /nfs/dbraw/zinc/75/31/19/781753119.db2.gz UUVBUEODMBTBIQ-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001073865316 790922834 /nfs/dbraw/zinc/92/28/34/790922834.db2.gz FVJLNAQVLGHPOG-INIZCTEOSA-N 0 3 320.820 2.184 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3nccnc32)C[C@H]1C ZINC000947857569 783249356 /nfs/dbraw/zinc/24/93/56/783249356.db2.gz NSVSIMRJPNYUCT-HUUCEWRRSA-N 0 3 322.412 2.236 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000947967404 783279712 /nfs/dbraw/zinc/27/97/12/783279712.db2.gz ONBSQIWJOJHGRJ-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001089619899 783286787 /nfs/dbraw/zinc/28/67/87/783286787.db2.gz YKLAWHJMQXKHFV-HNNXBMFYSA-N 0 3 317.408 2.464 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3nccnc3c2)C[C@@H]1C ZINC000948011797 783292622 /nfs/dbraw/zinc/29/26/22/783292622.db2.gz LDQGXTBMBVXPBX-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC001089634292 783305923 /nfs/dbraw/zinc/30/59/23/783305923.db2.gz UIQPFQXSQUUGLL-MRXNPFEDSA-N 0 3 314.433 2.029 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnnc1C ZINC001089666256 783338472 /nfs/dbraw/zinc/33/84/72/783338472.db2.gz NVYIFSNSZDWWJF-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnc(C)s2)CC1 ZINC000948237702 783386519 /nfs/dbraw/zinc/38/65/19/783386519.db2.gz XPKSPPFRLHLMTM-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948242489 783389066 /nfs/dbraw/zinc/38/90/66/783389066.db2.gz XFPXYAXSYGUVBX-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001089725388 783390686 /nfs/dbraw/zinc/39/06/86/783390686.db2.gz HDRJWQZFMDCAET-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1CC ZINC001089734451 783399376 /nfs/dbraw/zinc/39/93/76/783399376.db2.gz QPUNSXOCNLLWHK-DLBZAZTESA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC000948389807 783450965 /nfs/dbraw/zinc/45/09/65/783450965.db2.gz YCLFBSOVIFPTPW-OKZBNKHCSA-N 0 3 311.429 2.131 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccn(C(F)F)n2)CC1 ZINC000948404889 783455511 /nfs/dbraw/zinc/45/55/11/783455511.db2.gz MMKYHBDGFLWPQC-ZDUSSCGKSA-N 0 3 324.375 2.228 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccn3c2CCCC3)CC1 ZINC000948444795 783467634 /nfs/dbraw/zinc/46/76/34/783467634.db2.gz OHDQOXPMIDXVBO-INIZCTEOSA-N 0 3 313.445 2.384 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001073904425 790947104 /nfs/dbraw/zinc/94/71/04/790947104.db2.gz DNBPDXGICFAQCP-OFLPRAFFSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000948565391 783503578 /nfs/dbraw/zinc/50/35/78/783503578.db2.gz DXOGTKGMHRRMHR-INIZCTEOSA-N 0 3 324.428 2.133 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001073904424 790947690 /nfs/dbraw/zinc/94/76/90/790947690.db2.gz DNBPDXGICFAQCP-JCYILVPMSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnc3cnccc3c2)CC1 ZINC000948618046 783530390 /nfs/dbraw/zinc/53/03/90/783530390.db2.gz ZWADIFWSYDUPHO-QGZVFWFLSA-N 0 3 322.412 2.190 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1cc(C)ccc1OC ZINC001124496083 783551188 /nfs/dbraw/zinc/55/11/88/783551188.db2.gz VPIJSCWGWSCAJC-OAHLLOKOSA-N 0 3 320.433 2.191 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC000966493797 783674802 /nfs/dbraw/zinc/67/48/02/783674802.db2.gz VTWASKQDZWWLSL-CVEARBPZSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000967055782 783870603 /nfs/dbraw/zinc/87/06/03/783870603.db2.gz CXWZGGTVGCFZMX-GUYCJALGSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC000967081851 783877273 /nfs/dbraw/zinc/87/72/73/783877273.db2.gz CCRSHQHXXOSOLT-RDJZCZTQSA-N 0 3 313.445 2.209 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085618531 783887198 /nfs/dbraw/zinc/88/71/98/783887198.db2.gz OYBPVORYUGWVNY-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnc2[nH]cnc21 ZINC001085622030 783894413 /nfs/dbraw/zinc/89/44/13/783894413.db2.gz IKFJQDHKGBEBNX-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC000967257406 783912265 /nfs/dbraw/zinc/91/22/65/783912265.db2.gz MSFWOTRUZLVFLL-CHWSQXEVSA-N 0 3 307.394 2.090 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000967279587 783927805 /nfs/dbraw/zinc/92/78/05/783927805.db2.gz NXNLNJHREKMELY-YOEHRIQHSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967291714 783937939 /nfs/dbraw/zinc/93/79/39/783937939.db2.gz NUBWCDZJPRAQAG-JSGCOSHPSA-N 0 3 321.371 2.483 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncnc2[nH]ccc21 ZINC001085698591 783982591 /nfs/dbraw/zinc/98/25/91/783982591.db2.gz QXOZAHJHYXIKMD-CYBMUJFWSA-N 0 3 313.405 2.022 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719334 784003039 /nfs/dbraw/zinc/00/30/39/784003039.db2.gz QKPCOUCVUVRAAY-NUJGCVRESA-N 0 3 306.450 2.445 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCF)CC[C@H]2C)cc1 ZINC000967677758 784089955 /nfs/dbraw/zinc/08/99/55/784089955.db2.gz MVJWLESCJFGVRT-RHSMWYFYSA-N 0 3 302.393 2.468 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)nn1C ZINC001085799288 784096059 /nfs/dbraw/zinc/09/60/59/784096059.db2.gz NXZUHSDRYVZIGR-AWEZNQCLSA-N 0 3 318.465 2.440 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001085817721 784110486 /nfs/dbraw/zinc/11/04/86/784110486.db2.gz HISGWFINVIZFEI-CQSZACIVSA-N 0 3 319.453 2.146 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC001085836908 784119028 /nfs/dbraw/zinc/11/90/28/784119028.db2.gz WCCCMDFWDNTFAL-CYBMUJFWSA-N 0 3 314.389 2.392 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085864505 784159149 /nfs/dbraw/zinc/15/91/49/784159149.db2.gz BIGRSPGURNVQDY-ULQDDVLXSA-N 0 3 306.450 2.300 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967976133 784193489 /nfs/dbraw/zinc/19/34/89/784193489.db2.gz SSWJKQWYSICDSI-SMDDNHRTSA-N 0 3 321.808 2.199 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC000968058872 784215561 /nfs/dbraw/zinc/21/55/61/784215561.db2.gz NJIYWJJIIAXRRY-GOEBONIOSA-N 0 3 319.449 2.358 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001066341446 784222676 /nfs/dbraw/zinc/22/26/76/784222676.db2.gz UCTQKNODPNTGPY-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CC=CC3)C2)cc1F ZINC000968175284 784244820 /nfs/dbraw/zinc/24/48/20/784244820.db2.gz GXSMPPQFCXBZSI-MRXNPFEDSA-N 0 3 313.376 2.354 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2nccnc2c1 ZINC001085961304 784261579 /nfs/dbraw/zinc/26/15/79/784261579.db2.gz CFFSNVPOZSJYBG-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC000968331174 784294124 /nfs/dbraw/zinc/29/41/24/784294124.db2.gz MCFMRBBBRWEJNP-ZIAGYGMSSA-N 0 3 319.453 2.049 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccnc(OC)c2)C1 ZINC000968332959 784296614 /nfs/dbraw/zinc/29/66/14/784296614.db2.gz ZTAGDOIIVHCDIK-GDBMZVCRSA-N 0 3 317.433 2.035 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001085999618 784299508 /nfs/dbraw/zinc/29/95/08/784299508.db2.gz NZMKXBQKHQHIAX-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086003350 784306285 /nfs/dbraw/zinc/30/62/85/784306285.db2.gz GXUIOSMDZJNZKC-OAHLLOKOSA-N 0 3 304.438 2.095 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968364895 784326936 /nfs/dbraw/zinc/32/69/36/784326936.db2.gz LBRBRTKPHZWPCN-WMLDXEAASA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCCCC(C)C)[C@H](O)C1 ZINC001100024601 784358266 /nfs/dbraw/zinc/35/82/66/784358266.db2.gz MQICRRZIEUZTTP-DLBZAZTESA-N 0 3 308.466 2.168 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001086063680 784373298 /nfs/dbraw/zinc/37/32/98/784373298.db2.gz CCSMQIOMFZMUQU-TUAOUCFPSA-N 0 3 315.255 2.426 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC000968505819 784432886 /nfs/dbraw/zinc/43/28/86/784432886.db2.gz QXKVKVUHOOKBRO-PBHICJAKSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517281 784441110 /nfs/dbraw/zinc/44/11/10/784441110.db2.gz KIMFATPGLTXFSO-RDTXWAMCSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC000968566419 784468724 /nfs/dbraw/zinc/46/87/24/784468724.db2.gz SECCWTCZPCRNBA-WFASDCNBSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001086180998 784470185 /nfs/dbraw/zinc/47/01/85/784470185.db2.gz OSRSLULJHSCRJZ-VDISTLRHSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598285 784488698 /nfs/dbraw/zinc/48/86/98/784488698.db2.gz CBXYEZCZAIIMCP-KBXCAEBGSA-N 0 3 311.429 2.423 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001171221818 791033544 /nfs/dbraw/zinc/03/35/44/791033544.db2.gz VODQVOTVJMDHNY-LPHOPBHVSA-N 0 3 313.445 2.286 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713291 784550138 /nfs/dbraw/zinc/55/01/38/784550138.db2.gz MXQADXJAKDSBLP-CRAIPNDOSA-N 0 3 313.445 2.288 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC000968738678 784565202 /nfs/dbraw/zinc/56/52/02/784565202.db2.gz YJCMOHLEMCXUIP-OAHLLOKOSA-N 0 3 302.422 2.336 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC000968819273 784605646 /nfs/dbraw/zinc/60/56/46/784605646.db2.gz IZTSXLHYJIZZMG-OAHLLOKOSA-N 0 3 302.422 2.336 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccnn1CCC ZINC000968876624 784632225 /nfs/dbraw/zinc/63/22/25/784632225.db2.gz IGRNCMYCDLRXSC-HNNXBMFYSA-N 0 3 304.438 2.454 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001086380647 784634059 /nfs/dbraw/zinc/63/40/59/784634059.db2.gz YQHQINUBIXIZTC-AAVRWANBSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001086389071 784644167 /nfs/dbraw/zinc/64/41/67/784644167.db2.gz MZJLZBUTECYWOS-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC000968910756 784645329 /nfs/dbraw/zinc/64/53/29/784645329.db2.gz ZFWLAUCSEMTTOG-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC000968994120 784682924 /nfs/dbraw/zinc/68/29/24/784682924.db2.gz NYGUYMRCKZKRLV-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC000968994120 784682928 /nfs/dbraw/zinc/68/29/28/784682928.db2.gz NYGUYMRCKZKRLV-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cncc3[nH]ccc32)C1 ZINC001086416747 784699787 /nfs/dbraw/zinc/69/97/87/784699787.db2.gz FPLUYLHMUWVGTG-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001091227858 791048193 /nfs/dbraw/zinc/04/81/93/791048193.db2.gz RWWMYPJUUQJFQQ-BPCQOVAHSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC000969093021 784722287 /nfs/dbraw/zinc/72/22/87/784722287.db2.gz CEJRIOWYAZHAKQ-OAHLLOKOSA-N 0 3 319.453 2.239 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cnc(OC)nc1 ZINC000969100563 784726936 /nfs/dbraw/zinc/72/69/36/784726936.db2.gz BDGDNNQOAMDDLX-OAHLLOKOSA-N 0 3 318.421 2.036 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC000969108879 784732523 /nfs/dbraw/zinc/73/25/23/784732523.db2.gz OOSDGJQOUIDIPO-QGZVFWFLSA-N 0 3 324.428 2.332 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001086476306 784767898 /nfs/dbraw/zinc/76/78/98/784767898.db2.gz HDLVRLZBOGFZNW-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN N#Cc1nc(Cl)cnc1N1CCNC[C@@H]1c1cccs1 ZINC001156089287 784818546 /nfs/dbraw/zinc/81/85/46/784818546.db2.gz IXYVVIMZJHIEIW-SNVBAGLBSA-N 0 3 305.794 2.214 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001086522584 784842900 /nfs/dbraw/zinc/84/29/00/784842900.db2.gz ZOIZIIHXLZKXAV-JOCQHMNTSA-N 0 3 323.824 2.200 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001007350047 784897663 /nfs/dbraw/zinc/89/76/63/784897663.db2.gz DZBJANIGLPPXJI-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001007355688 784897946 /nfs/dbraw/zinc/89/79/46/784897946.db2.gz DWHBIFIQOVOHFN-CQSZACIVSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001007442734 784919586 /nfs/dbraw/zinc/91/95/86/784919586.db2.gz DMWBHHCMFFIAGU-CQSZACIVSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001007510462 784939043 /nfs/dbraw/zinc/93/90/43/784939043.db2.gz FNNVGPOEHYQQJA-AWEZNQCLSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC001007704396 784979682 /nfs/dbraw/zinc/97/96/82/784979682.db2.gz JMMZCPLBFIDQDC-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001007786385 785005308 /nfs/dbraw/zinc/00/53/08/785005308.db2.gz OLMQTNFMPHUGRL-CYBMUJFWSA-N 0 3 324.856 2.081 20 30 DEEDHN Cc1nc(C(=O)NCCCNCc2ccccc2C#N)c(C)o1 ZINC001169076311 785029192 /nfs/dbraw/zinc/02/91/92/785029192.db2.gz WNSXCNVGLHXFEI-UHFFFAOYSA-N 0 3 312.373 2.073 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2occ3c2CCOC3)C1 ZINC001008059372 785093477 /nfs/dbraw/zinc/09/34/77/785093477.db2.gz UQHUUKJNXNYXSZ-CQSZACIVSA-N 0 3 304.390 2.123 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCCCCCC2)[C@H](O)C1 ZINC001090419657 785160561 /nfs/dbraw/zinc/16/05/61/785160561.db2.gz BNSMVLVPLIONDF-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001091305204 791088991 /nfs/dbraw/zinc/08/89/91/791088991.db2.gz ZOIZIIHXLZKXAV-UHFFFAOYSA-N 0 3 323.824 2.200 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCCN(CCC)C1 ZINC001009123776 785388548 /nfs/dbraw/zinc/38/85/48/785388548.db2.gz MSCTYZJYVFLDHI-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001169920871 785429441 /nfs/dbraw/zinc/42/94/41/785429441.db2.gz OMOPTELHCXJGKT-SNVBAGLBSA-N 0 3 311.813 2.261 20 30 DEEDHN Cc1cc(CN[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C#CC(C)C)C3)on1 ZINC001108681817 785492420 /nfs/dbraw/zinc/49/24/20/785492420.db2.gz VZGNWQOAWSEBQD-XHSDSOJGSA-N 0 3 315.417 2.112 20 30 DEEDHN CC[C@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2)OC ZINC001109260835 785787009 /nfs/dbraw/zinc/78/70/09/785787009.db2.gz OZJRRDQMGPVJGO-WCVJEAGWSA-N 0 3 306.450 2.182 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)(F)F)CCC1)C2 ZINC001109455215 785884756 /nfs/dbraw/zinc/88/47/56/785884756.db2.gz MQNOJDGLJYKQJZ-AGIUHOORSA-N 0 3 314.351 2.464 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(\C)C=C)C2 ZINC001109619194 785959783 /nfs/dbraw/zinc/95/97/83/785959783.db2.gz KKVBGDGMPHFOKB-UHVKSXBRSA-N 0 3 304.434 2.433 20 30 DEEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)CC1 ZINC001109682221 785985404 /nfs/dbraw/zinc/98/54/04/785985404.db2.gz YKLDHFSJOIXFJN-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CCCC1 ZINC001115352386 786002754 /nfs/dbraw/zinc/00/27/54/786002754.db2.gz MCYVBCKZAPAXTK-GDNZZTSVSA-N 0 3 302.340 2.342 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001113139289 786415432 /nfs/dbraw/zinc/41/54/32/786415432.db2.gz KGXBXPNNAGUNQM-HOTGVXAUSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cccnc2C)CC1 ZINC001113343402 786536416 /nfs/dbraw/zinc/53/64/16/786536416.db2.gz JHWMDWJEKFTCQR-HNNXBMFYSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2coc3cc(F)ccc23)C1 ZINC001014399540 786571300 /nfs/dbraw/zinc/57/13/00/786571300.db2.gz OMMAYWANTFFJPB-OAHLLOKOSA-N 0 3 314.360 2.328 20 30 DEEDHN CCOC(=O)[C@H](C#N)Nc1ccc(CN2CCCC[C@H]2C)cn1 ZINC001170369104 786923345 /nfs/dbraw/zinc/92/33/45/786923345.db2.gz RMRDGCKFIKKGSG-HIFRSBDPSA-N 0 3 316.405 2.323 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015176315 786927725 /nfs/dbraw/zinc/92/77/25/786927725.db2.gz WIAXDYSRXBTBOZ-HNNXBMFYSA-N 0 3 309.413 2.489 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2occ3c2CCOC3)C1 ZINC001015395568 787032332 /nfs/dbraw/zinc/03/23/32/787032332.db2.gz AMYBLGNOHIWTON-AWEZNQCLSA-N 0 3 304.390 2.123 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001015468459 787072251 /nfs/dbraw/zinc/07/22/51/787072251.db2.gz UXUMAOCFOOAJNV-KRWDZBQOSA-N 0 3 314.404 2.461 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@H]3CCCCO3)C2)cc1 ZINC001015481201 787077349 /nfs/dbraw/zinc/07/73/49/787077349.db2.gz DCKBZAYNNMQZBT-ZWKOTPCHSA-N 0 3 312.413 2.041 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001114198946 787159610 /nfs/dbraw/zinc/15/96/10/787159610.db2.gz LJECVNAMYDWPRA-DZFIZOCASA-N 0 3 314.404 2.484 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)c1 ZINC001015679130 787182777 /nfs/dbraw/zinc/18/27/77/787182777.db2.gz URZLVROISWEYOG-IBGZPJMESA-N 0 3 319.408 2.376 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1cnns1 ZINC001170453292 787224312 /nfs/dbraw/zinc/22/43/12/787224312.db2.gz KWKBKYHZLHELAF-CYBMUJFWSA-N 0 3 308.451 2.106 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cnc(C3CC3)o2)s1 ZINC001129737677 787243474 /nfs/dbraw/zinc/24/34/74/787243474.db2.gz MBSVMGCWWLPILZ-UHFFFAOYSA-N 0 3 316.386 2.005 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001086624983 787245847 /nfs/dbraw/zinc/24/58/47/787245847.db2.gz DQZLKZOZNJSQHR-RBUKOAKNSA-N 0 3 321.424 2.165 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCCC23CC3)s1 ZINC001130208503 787315577 /nfs/dbraw/zinc/31/55/77/787315577.db2.gz MQSPMBYKEAJNSP-AWEZNQCLSA-N 0 3 303.431 2.406 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C23CCC(CC2)C3)s1 ZINC001130291965 787333058 /nfs/dbraw/zinc/33/30/58/787333058.db2.gz UKCJCDGMXCVJNZ-UHFFFAOYSA-N 0 3 303.431 2.406 20 30 DEEDHN CCc1cccnc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001130628689 787446639 /nfs/dbraw/zinc/44/66/39/787446639.db2.gz DVNPAMLYAGPAAX-UHFFFAOYSA-N 0 3 314.414 2.097 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2oc(CC)nc2C)C1 ZINC001100176977 787596381 /nfs/dbraw/zinc/59/63/81/787596381.db2.gz OYKXENIAKPZILN-UHFFFAOYSA-N 0 3 305.422 2.496 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C(C)C)c1C)C2 ZINC001096313299 787608005 /nfs/dbraw/zinc/60/80/05/787608005.db2.gz ARNUKFQQPFNTEF-PVAVHDDUSA-N 0 3 314.433 2.131 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3c(cccc3C)O1)C2 ZINC001096359472 787633783 /nfs/dbraw/zinc/63/37/83/787633783.db2.gz HGAWQVJVTXTDJR-WMEZAQDKSA-N 0 3 324.424 2.043 20 30 DEEDHN Cc1cnc(C(=O)NCCNCc2ccc(C#N)cc2)c(C)c1 ZINC001131601005 787660227 /nfs/dbraw/zinc/66/02/27/787660227.db2.gz FQBSEGIOLCBHCA-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC=C(C)C)C2)C1 ZINC001131657256 787679438 /nfs/dbraw/zinc/67/94/38/787679438.db2.gz HLWXYAFLJULKKK-HKUYNNGSSA-N 0 3 318.461 2.448 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(CCF)CC1)C[C@H](C)O2 ZINC001131673691 787687318 /nfs/dbraw/zinc/68/73/18/787687318.db2.gz QOVOTLBVODFBES-YJBOKZPZSA-N 0 3 324.440 2.394 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001096474503 787688728 /nfs/dbraw/zinc/68/87/28/787688728.db2.gz ODMNKLCVYLZCPL-KCXAZCMYSA-N 0 3 310.401 2.474 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)n1c(C)ccc1C)C2 ZINC001096607176 787756757 /nfs/dbraw/zinc/75/67/57/787756757.db2.gz VWGBMXHWDVBYCH-MHORFTMASA-N 0 3 313.445 2.411 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCc2ccco2)CC[C@@H]1C ZINC001131820017 787760392 /nfs/dbraw/zinc/76/03/92/787760392.db2.gz AXXVGEHODZTJHU-HOTGVXAUSA-N 0 3 320.433 2.384 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)n1nc(C)cc1C)C2 ZINC001096642885 787777677 /nfs/dbraw/zinc/77/76/77/787777677.db2.gz CIRSZIMBRCONCE-YVSFHVDLSA-N 0 3 316.449 2.359 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@H](C)N(CCc2cnn(CC)c2)C1 ZINC001131896907 787800426 /nfs/dbraw/zinc/80/04/26/787800426.db2.gz XHGFOXYEDPGVGA-DOTOQJQBSA-N 0 3 318.465 2.381 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2[nH]ccc2C)CC[C@H]1C ZINC001132006794 787887246 /nfs/dbraw/zinc/88/72/46/787887246.db2.gz QJLTWSHCNCBBJF-HUUCEWRRSA-N 0 3 305.422 2.108 20 30 DEEDHN CC(C)OCCCN1C[C@@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132034209 787900120 /nfs/dbraw/zinc/90/01/20/787900120.db2.gz PISHXQBTFGYHRG-WBVHZDCISA-N 0 3 306.450 2.184 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132061154 787909071 /nfs/dbraw/zinc/90/90/71/787909071.db2.gz PIQMKQNBVWUFID-CVEARBPZSA-N 0 3 318.465 2.455 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCCO)C1 ZINC001132078864 787918265 /nfs/dbraw/zinc/91/82/65/787918265.db2.gz OUHKVQLKUGTCTO-YPMHNXCESA-N 0 3 302.846 2.117 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132182090 787959967 /nfs/dbraw/zinc/95/99/67/787959967.db2.gz CPRPWNJYGYQLOH-QWHCGFSZSA-N 0 3 304.381 2.203 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cc(F)cc(F)c2)cc1 ZINC001132215928 787975601 /nfs/dbraw/zinc/97/56/01/787975601.db2.gz RRRGHKYZTOLYOP-UHFFFAOYSA-N 0 3 314.335 2.466 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132326359 788033512 /nfs/dbraw/zinc/03/35/12/788033512.db2.gz DGQTUEMXWILOTQ-NEPJUHHUSA-N 0 3 302.340 2.321 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COc2cccnc2)CC[C@@H]1C ZINC001132358476 788044181 /nfs/dbraw/zinc/04/41/81/788044181.db2.gz DKHLIMBXPOKSRL-GJZGRUSLSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCn2cccc2)CC[C@@H]1C ZINC001132384008 788050958 /nfs/dbraw/zinc/05/09/58/788050958.db2.gz HNVQTVAKSQLNIP-DLBZAZTESA-N 0 3 319.449 2.050 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCc2nc(CC)no2)CC[C@@H]1C ZINC001132485831 788098723 /nfs/dbraw/zinc/09/87/23/788098723.db2.gz KBXNJVLBLCDFBF-KBPBESRZSA-N 0 3 320.437 2.110 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCOc2cccnc2)CC[C@@H]1C ZINC001132496579 788105395 /nfs/dbraw/zinc/10/53/95/788105395.db2.gz KLBQWPDOOAVIAZ-JKSUJKDBSA-N 0 3 317.433 2.396 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CN(C)c2ccccc2)CC[C@H]1C ZINC001132548472 788127311 /nfs/dbraw/zinc/12/73/11/788127311.db2.gz DCQPIVVMMZZEFM-CVEARBPZSA-N 0 3 301.434 2.278 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)[nH]c(=O)c1)C2 ZINC001097554790 788133247 /nfs/dbraw/zinc/13/32/47/788133247.db2.gz REGYTXQLZHGBQV-OAGGEKHMSA-N 0 3 315.417 2.261 20 30 DEEDHN CCC[C@@H](OCC)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132625330 788146116 /nfs/dbraw/zinc/14/61/16/788146116.db2.gz ZHSSGHFXYJZBRE-MRXNPFEDSA-N 0 3 321.396 2.108 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)cc1 ZINC001097626445 788153196 /nfs/dbraw/zinc/15/31/96/788153196.db2.gz GSJXFCUFBWNLFJ-LIRZEXBASA-N 0 3 312.413 2.038 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132650333 788156489 /nfs/dbraw/zinc/15/64/89/788156489.db2.gz JOZYDFHVJWZZPG-AWEZNQCLSA-N 0 3 315.417 2.375 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@@H](CNCc2nccn2CC)C1 ZINC001132697651 788171677 /nfs/dbraw/zinc/17/16/77/788171677.db2.gz SSDAOBQJGHUKNI-HOTGVXAUSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2ocnc2C)C1 ZINC001132785405 788191631 /nfs/dbraw/zinc/19/16/31/788191631.db2.gz HKFKEAQFFZGSLU-ZBFHGGJFSA-N 0 3 317.433 2.361 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(C)c1)C2 ZINC001097763716 788212138 /nfs/dbraw/zinc/21/21/38/788212138.db2.gz QYCLCTFEIFTBQI-OIISXLGYSA-N 0 3 300.377 2.493 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(F)ccc1F)C2 ZINC001097743673 788213446 /nfs/dbraw/zinc/21/34/46/788213446.db2.gz GNMHVYOPFAWPKD-OIISXLGYSA-N 0 3 318.367 2.252 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001133537384 788474286 /nfs/dbraw/zinc/47/42/86/788474286.db2.gz RXFGVSHHINFVFF-UKRRQHHQSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCNCc1cc(OC)ns1 ZINC001158886956 788492118 /nfs/dbraw/zinc/49/21/18/788492118.db2.gz KZNJLXGGJZKPPB-UHFFFAOYSA-N 0 3 311.451 2.350 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CSC ZINC001133640120 788533308 /nfs/dbraw/zinc/53/33/08/788533308.db2.gz FKGNIACBYDSESS-ZJUUUORDSA-N 0 3 309.273 2.131 20 30 DEEDHN CC[C@@H](CC(=O)NCCNCC#CCOC)c1ccc(C)cc1 ZINC001133757605 788594800 /nfs/dbraw/zinc/59/48/00/788594800.db2.gz RONVTHNVBZBAFZ-KRWDZBQOSA-N 0 3 316.445 2.234 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CCCOC ZINC001133792622 788608748 /nfs/dbraw/zinc/60/87/48/788608748.db2.gz BJGWSUASKCKEEV-VXGBXAGGSA-N 0 3 321.259 2.195 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)c1ccon1 ZINC001133816824 788624489 /nfs/dbraw/zinc/62/44/89/788624489.db2.gz SVYMAWDEBKBYNM-ZJUUUORDSA-N 0 3 316.199 2.070 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001133908949 788668409 /nfs/dbraw/zinc/66/84/09/788668409.db2.gz FCTVJLPEXYXKQH-VXGBXAGGSA-N 0 3 311.451 2.027 20 30 DEEDHN Cc1nocc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328600 788875365 /nfs/dbraw/zinc/87/53/65/788875365.db2.gz DZEXXCLKPPYOBT-OLZOCXBDSA-N 0 3 305.422 2.405 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNC[C@H](O)c1ccccc1F ZINC001134428481 788916746 /nfs/dbraw/zinc/91/67/46/788916746.db2.gz OMFCOZAVBPJNAU-HNNXBMFYSA-N 0 3 308.397 2.167 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001134411657 788917683 /nfs/dbraw/zinc/91/76/83/788917683.db2.gz AHTSOWOUOSSMHG-UHFFFAOYSA-N 0 3 318.417 2.266 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CC23CCC3)cc1F ZINC001134445274 788926500 /nfs/dbraw/zinc/92/65/00/788926500.db2.gz UJAKODSYHYPEOI-CQSZACIVSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)n(C)n1 ZINC001134471844 788948285 /nfs/dbraw/zinc/94/82/85/788948285.db2.gz YOOGVRDQAMYFDZ-UONOGXRCSA-N 0 3 306.454 2.458 20 30 DEEDHN C=CCCC(=O)N1CCC(CC)(NC(=O)CN(C)C(C)C)CC1 ZINC001069239091 788968537 /nfs/dbraw/zinc/96/85/37/788968537.db2.gz ANYDOGHVBSGFRR-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1F ZINC001135099255 789197996 /nfs/dbraw/zinc/19/79/96/789197996.db2.gz PGJCHVBAMHZVSJ-JKSUJKDBSA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2CCCC2)C1 ZINC001070392617 789304501 /nfs/dbraw/zinc/30/45/01/789304501.db2.gz UJJKVLMKXDHIRW-CQSZACIVSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001135588847 789413192 /nfs/dbraw/zinc/41/31/92/789413192.db2.gz GAIYKNPCSLCALO-NWDGAFQWSA-N 0 3 314.389 2.008 20 30 DEEDHN CCCc1cc(C#N)c(N[C@H](C)[C@@H]2CNCCO2)nc1Cl ZINC001159496410 789414373 /nfs/dbraw/zinc/41/43/73/789414373.db2.gz CWEXXKKJLGCVKO-MFKMUULPSA-N 0 3 308.813 2.348 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070866863 789472093 /nfs/dbraw/zinc/47/20/93/789472093.db2.gz IZFDXGFCGHSURZ-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCCc2cccnc2)cc1 ZINC001135936767 789566056 /nfs/dbraw/zinc/56/60/56/789566056.db2.gz TXRARCFJQZXFRA-UHFFFAOYSA-N 0 3 322.412 2.182 20 30 DEEDHN CC[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001136086908 789621260 /nfs/dbraw/zinc/62/12/60/789621260.db2.gz FROWNHFJVBGOML-YJBOKZPZSA-N 0 3 315.417 2.209 20 30 DEEDHN C=C[C@@H]1C[C@]1(Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(=O)OCC ZINC001170922368 789659902 /nfs/dbraw/zinc/65/99/02/789659902.db2.gz KHMVKWUPXSVUHO-MLGOLLRUSA-N 0 3 317.345 2.118 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3cccnc3n2)CC[C@@H]1C ZINC001071520316 789755448 /nfs/dbraw/zinc/75/54/48/789755448.db2.gz CPKRPWJKJRPYCM-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)ccc2OC)CC[C@H]1C ZINC001071724077 789889069 /nfs/dbraw/zinc/88/90/69/789889069.db2.gz APJAFWMFORIDNU-UKRRQHHQSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cnccc3n2)CC[C@@H]1C ZINC001071839264 789938306 /nfs/dbraw/zinc/93/83/06/789938306.db2.gz CUYKJIACMDCNTH-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2coc(C3CC3)n2)CC[C@@H]1C ZINC001071879207 789955594 /nfs/dbraw/zinc/95/55/94/789955594.db2.gz AFYZAHFCWMZITB-GXTWGEPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(CCC)c2C)CC[C@H]1C ZINC001071931370 789976910 /nfs/dbraw/zinc/97/69/10/789976910.db2.gz UKLSDKRRJCHEFG-ZBFHGGJFSA-N 0 3 316.449 2.208 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)CC[C@H]1C ZINC001071943007 789981578 /nfs/dbraw/zinc/98/15/78/789981578.db2.gz VHFVCHCGKULJEN-OCCSQVGLSA-N 0 3 303.406 2.118 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CC[C@H](C)N(CC)C1 ZINC001071976341 789995196 /nfs/dbraw/zinc/99/51/96/789995196.db2.gz ADDKOMYRGWBTGH-UONOGXRCSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]nc3ccccc32)CC[C@H]1C ZINC001072040760 790028517 /nfs/dbraw/zinc/02/85/17/790028517.db2.gz MWJYEVSXZGHAKJ-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)CC[C@@H]1C ZINC001072095757 790051088 /nfs/dbraw/zinc/05/10/88/790051088.db2.gz NWOHUBSYGGIPFD-UONOGXRCSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)CC[C@H]1C ZINC001072099610 790051832 /nfs/dbraw/zinc/05/18/32/790051832.db2.gz UBORDYLEOIBHPQ-YPMHNXCESA-N 0 3 321.446 2.006 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2csc(CC)n2)CC[C@H]1C ZINC001072099656 790052135 /nfs/dbraw/zinc/05/21/35/790052135.db2.gz VDWMDXWXBGYMHS-KGLIPLIRSA-N 0 3 319.474 2.240 20 30 DEEDHN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNCc1cscn1 ZINC001072281649 790105473 /nfs/dbraw/zinc/10/54/73/790105473.db2.gz UKFXDUVLFZWCHD-DZGCQCFKSA-N 0 3 317.458 2.131 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001072340691 790119768 /nfs/dbraw/zinc/11/97/68/790119768.db2.gz NUJFZSJXVKCQGJ-CABCVRRESA-N 0 3 318.465 2.207 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)c4ccco4)C3)C2)cc1 ZINC001072402714 790134997 /nfs/dbraw/zinc/13/49/97/790134997.db2.gz ORKFOYAMPMCKQD-UHFFFAOYSA-N 0 3 321.380 2.499 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc(OC)cc3C)C2)C1 ZINC001072779359 790244682 /nfs/dbraw/zinc/24/46/82/790244682.db2.gz KPXAJGBAEOFBKE-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001075031668 791437577 /nfs/dbraw/zinc/43/75/77/791437577.db2.gz JPFUMWCYGNLBKY-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001075097143 791459852 /nfs/dbraw/zinc/45/98/52/791459852.db2.gz LTOKSTZFMNRZID-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCCC(=O)N1CC2(C1)CCN(CCOCC(C)C)C2 ZINC001147374681 791519548 /nfs/dbraw/zinc/51/95/48/791519548.db2.gz PYMKVNHXWQSNHN-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN CCCc1nc(C(=O)NCCNCc2ccc(C#N)cc2)co1 ZINC001147719453 791605873 /nfs/dbraw/zinc/60/58/73/791605873.db2.gz ZDINSRSQFLFBIR-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN C[C@@]12CN(CCC(F)(F)F)C[C@@H]1CN(C(=O)C#CC1CC1)C2 ZINC001091659478 791620064 /nfs/dbraw/zinc/62/00/64/791620064.db2.gz KHQBVLLXDMHYHR-HIFRSBDPSA-N 0 3 314.351 2.133 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC13CCC3)C[C@H](C)O2 ZINC001098642721 791667441 /nfs/dbraw/zinc/66/74/41/791667441.db2.gz KBYGUAMJNDKJLT-HOTGVXAUSA-N 0 3 318.461 2.445 20 30 DEEDHN CCCCCCCCCC(=O)NCCNCC(=O)NC(C)C ZINC001148820029 791808257 /nfs/dbraw/zinc/80/82/57/791808257.db2.gz AICQHZOROVVHDE-UHFFFAOYSA-N 0 3 313.486 2.358 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4nc(C)oc4c3)C[C@]2(C)C1 ZINC001091758849 791814051 /nfs/dbraw/zinc/81/40/51/791814051.db2.gz NZSNHINFQCDRAM-BEFAXECRSA-N 0 3 323.396 2.163 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccsn3)C2)CC1 ZINC001086929054 791859233 /nfs/dbraw/zinc/85/92/33/791859233.db2.gz VSXOWRRCUAEKTM-ZDUSSCGKSA-N 0 3 303.431 2.093 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)Cc3ccc[nH]3)C2)CC1 ZINC001086957261 791863868 /nfs/dbraw/zinc/86/38/68/791863868.db2.gz IYJPEGSKWMUKEX-MRXNPFEDSA-N 0 3 313.445 2.284 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc4ncccc4o3)C[C@]2(C)C1 ZINC001091861640 791895349 /nfs/dbraw/zinc/89/53/49/791895349.db2.gz PNXWWRJSHNNWJT-KUHUBIRLSA-N 0 3 323.396 2.245 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(CC=C(C)C)CCCO1 ZINC001149579982 791905136 /nfs/dbraw/zinc/90/51/36/791905136.db2.gz PGDJIXPGNRJBOU-QGZVFWFLSA-N 0 3 306.450 2.353 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC001091952794 791911815 /nfs/dbraw/zinc/91/18/15/791911815.db2.gz QANDTUHONLRUSU-FMKPAKJESA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@]2(C)C1 ZINC001092047584 791921940 /nfs/dbraw/zinc/92/19/40/791921940.db2.gz GISNPFLHYYLXGH-XLIONFOSSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](F)c3ccccc3)C[C@]2(C)C1 ZINC001092052287 791925609 /nfs/dbraw/zinc/92/56/09/791925609.db2.gz GLLFCRFOZKPWEM-RYRKJORJSA-N 0 3 300.377 2.111 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@]2(C)C1 ZINC001092312940 791975981 /nfs/dbraw/zinc/97/59/81/791975981.db2.gz NBFLRNZOXDTYMG-YUANNNKLSA-N 0 3 312.457 2.082 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001098929112 791986513 /nfs/dbraw/zinc/98/65/13/791986513.db2.gz HYVYDQWUKMENBW-IEZWGBDMSA-N 0 3 312.413 2.147 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3ccncc3n2)C1 ZINC001098945906 791994844 /nfs/dbraw/zinc/99/48/44/791994844.db2.gz PDKALZXIJXNEER-KXBFYZLASA-N 0 3 322.412 2.400 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001098950157 791997961 /nfs/dbraw/zinc/99/79/61/791997961.db2.gz VFPPCBZXIJHYOQ-BXWFABGCSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3n[nH]cc32)C1 ZINC001098971481 792009828 /nfs/dbraw/zinc/00/98/28/792009828.db2.gz XJYFQLWMWMTYGF-LIRRHRJNSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOC ZINC001099028457 792047730 /nfs/dbraw/zinc/04/77/30/792047730.db2.gz DIRINCGHZFDSOF-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN COCCN1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099061083 792070088 /nfs/dbraw/zinc/07/00/88/792070088.db2.gz RCAARNXARYGOOD-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C(C)C)c2)C1 ZINC001099116359 792102955 /nfs/dbraw/zinc/10/29/55/792102955.db2.gz PUAXHMZVISZNGM-RDJZCZTQSA-N 0 3 302.422 2.234 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc(C)cn1 ZINC001099354743 792180327 /nfs/dbraw/zinc/18/03/27/792180327.db2.gz VKMDLUJVIQAKMJ-MRXNPFEDSA-N 0 3 318.465 2.374 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCC(F)F)CC2(CCOCC2)C1 ZINC001099585128 792252427 /nfs/dbraw/zinc/25/24/27/792252427.db2.gz LZOLXXSJCITRLF-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099856447 792383313 /nfs/dbraw/zinc/38/33/13/792383313.db2.gz XCUFBRASJZYHRO-SJORKVTESA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2C)C[C@H]1O ZINC001099974092 792425271 /nfs/dbraw/zinc/42/52/71/792425271.db2.gz NCWHBOXILZUYOR-ZWKOTPCHSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099975859 792425643 /nfs/dbraw/zinc/42/56/43/792425643.db2.gz IBRPUNGICBPWKW-IAGOWNOFSA-N 0 3 302.418 2.094 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CC(NCc2ccc(F)cc2F)C1 ZINC001100189846 792508549 /nfs/dbraw/zinc/50/85/49/792508549.db2.gz AZDSRJVVDXGGHX-CDWSIMAYSA-N 0 3 307.344 2.109 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(N[C@@H](C)c2cnccn2)C1 ZINC001100259698 792550160 /nfs/dbraw/zinc/55/01/60/792550160.db2.gz RVYGLJBJDOXJFH-FHERZECASA-N 0 3 314.433 2.216 20 30 DEEDHN C#CCC1(C(=O)NCC2CC(NCc3cncs3)C2)CCC1 ZINC001100396564 792627352 /nfs/dbraw/zinc/62/73/52/792627352.db2.gz IFGZYKYGHKOWML-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001100530633 792707939 /nfs/dbraw/zinc/70/79/39/792707939.db2.gz FBNVBTJPQVRPTA-NUYPLMSZSA-N 0 3 324.856 2.151 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100539985 792712404 /nfs/dbraw/zinc/71/24/04/792712404.db2.gz FVCAACPCCPAMKX-ZBCRRDGASA-N 0 3 314.857 2.452 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100597000 792742267 /nfs/dbraw/zinc/74/22/67/792742267.db2.gz MWDAGQSHSAOKBI-HPUBIQBYSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(CCC)on3)CCC[C@@H]12 ZINC001094549631 792995352 /nfs/dbraw/zinc/99/53/52/792995352.db2.gz KSEOBULFDGCXJR-SJLPKXTDSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)CC(C)C)c2)C1 ZINC001101088118 793011472 /nfs/dbraw/zinc/01/14/72/793011472.db2.gz BXSSIQUFJHNYLG-KRWDZBQOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)[C@H](C)CC)c2)C1 ZINC001101091297 793014263 /nfs/dbraw/zinc/01/42/63/793014263.db2.gz ZPDINBHOPJAQLB-PBHICJAKSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)CCCF)c2)C1 ZINC001101095540 793016308 /nfs/dbraw/zinc/01/63/08/793016308.db2.gz LARAMBDCYXSEKQ-MRXNPFEDSA-N 0 3 321.396 2.087 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001101279759 793097886 /nfs/dbraw/zinc/09/78/86/793097886.db2.gz YSWOONGMHWYHJV-FCEWJHQRSA-N 0 3 320.477 2.099 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC2(CN(CCC(C)C)C2)n2ccnc21 ZINC001101616185 793273965 /nfs/dbraw/zinc/27/39/65/793273965.db2.gz YKZVGZSWZUICQY-HNNXBMFYSA-N 0 3 316.449 2.467 20 30 DEEDHN C=CCOCCCC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001101853265 793410415 /nfs/dbraw/zinc/41/04/15/793410415.db2.gz ZLOWZKYEUGJABA-JFOCPDPESA-N 0 3 314.857 2.406 20 30 DEEDHN C[C@@H]1CCCN1CC(=O)N(C)CCNc1cccc(F)c1C#N ZINC001101968109 793463230 /nfs/dbraw/zinc/46/32/30/793463230.db2.gz QYICMPIUEWQLCW-CYBMUJFWSA-N 0 3 318.396 2.052 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)cn1 ZINC001172667212 793474389 /nfs/dbraw/zinc/47/43/89/793474389.db2.gz MWFMVHHYASNFKL-KRWDZBQOSA-N 0 3 320.396 2.234 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC[C@H]2CO)C[C@H]1C#N ZINC001172977605 793548462 /nfs/dbraw/zinc/54/84/62/793548462.db2.gz DJGVBCHBBLOIQL-ILXRZTDVSA-N 0 3 323.437 2.125 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H]2CCc3ncsc3C2)C1 ZINC001173148158 793606492 /nfs/dbraw/zinc/60/64/92/793606492.db2.gz SOCLNHCBSXNRIO-CHWSQXEVSA-N 0 3 321.446 2.377 20 30 DEEDHN C=CCOC1CCC(n2cnc(CN)c2C(=O)OCC)CC1 ZINC001173308450 793671922 /nfs/dbraw/zinc/67/19/22/793671922.db2.gz KUCZRNYJYAHUJG-UHFFFAOYSA-N 0 3 307.394 2.205 20 30 DEEDHN C=CCOC1CCC(N2CC(N3C[C@H](C)O[C@@H](C)C3)C2)CC1 ZINC001173325920 793678877 /nfs/dbraw/zinc/67/88/77/793678877.db2.gz SVMDJKDNKPSJHB-WMTDPASSSA-N 0 3 308.466 2.294 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3cnccn3)CC2)CC1 ZINC001173319241 793690364 /nfs/dbraw/zinc/69/03/64/793690364.db2.gz BJOBBYZSCGEYBF-UHFFFAOYSA-N 0 3 302.422 2.112 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001103385525 794065490 /nfs/dbraw/zinc/06/54/90/794065490.db2.gz YEOHWBAIDCBQNI-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174849155 794084763 /nfs/dbraw/zinc/08/47/63/794084763.db2.gz KCDQTHVLGPCSMG-KGLIPLIRSA-N 0 3 321.469 2.480 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1C ZINC001103976437 794333779 /nfs/dbraw/zinc/33/37/79/794333779.db2.gz NNUOCGUUFAAPQS-KWCYVHTRSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(C)nn(CC)c1Cl ZINC001176486905 794439913 /nfs/dbraw/zinc/43/99/13/794439913.db2.gz XPSVQUUQGSJHAI-UHFFFAOYSA-N 0 3 319.236 2.327 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001176813702 794504408 /nfs/dbraw/zinc/50/44/08/794504408.db2.gz AIMBNPDUHKBBDM-KBPBESRZSA-N 0 3 323.437 2.339 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1C(F)(F)F ZINC001112068536 794554051 /nfs/dbraw/zinc/55/40/51/794554051.db2.gz DNFPGPNDBQOXGU-GMTAPVOTSA-N 0 3 310.385 2.150 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001177021185 794560722 /nfs/dbraw/zinc/56/07/22/794560722.db2.gz NFMHLKBJYXCXHE-UHFFFAOYSA-N 0 3 313.804 2.354 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001112197586 794571054 /nfs/dbraw/zinc/57/10/54/794571054.db2.gz ZFFXOZNLONPKCL-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN O=C(C#Cc1ccccn1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001177804363 794756709 /nfs/dbraw/zinc/75/67/09/794756709.db2.gz RCPNHOVVWJSCEA-IBGZPJMESA-N 0 3 319.408 2.386 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCCc1cn2ccccc2n1 ZINC001177914789 794775768 /nfs/dbraw/zinc/77/57/68/794775768.db2.gz DJFLAAJFBWGGFL-ZDUSSCGKSA-N 0 3 324.409 2.437 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(NCc2ccccn2)CCCCC1 ZINC001115451842 794777926 /nfs/dbraw/zinc/77/79/26/794777926.db2.gz IJJVWKBLVWGIHX-AWEZNQCLSA-N 0 3 300.406 2.150 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@]23C[C@H]2COC3)CCCCC1 ZINC001115546534 794815189 /nfs/dbraw/zinc/81/51/89/794815189.db2.gz RJGCWVNFSBRZOI-BBRMVZONSA-N 0 3 312.841 2.184 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001150818039 794975067 /nfs/dbraw/zinc/97/50/67/794975067.db2.gz NCAJPPDZEJGSNB-TVRKMHQQSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC[C@H]1NC(=O)N(C[C@H](c2cccs2)N2CCCC2)C1=O ZINC001116769230 794985719 /nfs/dbraw/zinc/98/57/19/794985719.db2.gz BSPDHVCDRPGIOK-CHWSQXEVSA-N 0 3 319.430 2.382 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001180269685 795268142 /nfs/dbraw/zinc/26/81/42/795268142.db2.gz XBDNAXKQFFZJAR-ZQIUZPCESA-N 0 3 320.408 2.496 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)/C=C/c1ccccc1OC ZINC001180531367 795319189 /nfs/dbraw/zinc/31/91/89/795319189.db2.gz GRDQKZKQOOPKPV-OFAQMXQXSA-N 0 3 300.402 2.475 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)c1ccc(Br)cc1 ZINC001120272266 795433001 /nfs/dbraw/zinc/43/30/01/795433001.db2.gz CNYIGHSVBUBSIT-OLZOCXBDSA-N 0 3 300.196 2.273 20 30 DEEDHN C#CCn1cc(CNCCC(=O)Nc2ccc(Cl)cc2)cn1 ZINC001120599675 795495756 /nfs/dbraw/zinc/49/57/56/795495756.db2.gz PGOLKXJIMATOHR-UHFFFAOYSA-N 0 3 316.792 2.288 20 30 DEEDHN Cc1ccc(OC[C@H](O)CNCC#C[C@H]2CCCCO2)c(C)c1 ZINC001120610808 795497803 /nfs/dbraw/zinc/49/78/03/795497803.db2.gz PSZKTTKBLIINBE-QZTJIDSGSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001181598365 795502385 /nfs/dbraw/zinc/50/23/85/795502385.db2.gz DYEXMJUHWRDAFE-ZIAGYGMSSA-N 0 3 306.381 2.280 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCn1cccn1)C2 ZINC001120651559 795507987 /nfs/dbraw/zinc/50/79/87/795507987.db2.gz XPQPDCLDYPFPKJ-UHFFFAOYSA-N 0 3 322.840 2.043 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC001120919251 795558696 /nfs/dbraw/zinc/55/86/96/795558696.db2.gz PZQWCICNRHTQSX-AWEZNQCLSA-N 0 3 315.417 2.259 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CC1(O)CCC1)C2 ZINC001121072056 795586391 /nfs/dbraw/zinc/58/63/91/795586391.db2.gz MHMJYMCOHAMSPW-UHFFFAOYSA-N 0 3 312.841 2.061 20 30 DEEDHN Cc1nocc1CNC1CC2(C1)CC(NC(=O)C#CC(C)C)C2 ZINC001121077311 795586908 /nfs/dbraw/zinc/58/69/08/795586908.db2.gz PBWSOAYAFPJCFI-UHFFFAOYSA-N 0 3 315.417 2.159 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2CCN(C3CCCC3)CC2)n1C ZINC001121531785 795644242 /nfs/dbraw/zinc/64/42/42/795644242.db2.gz ZCPSGCUBYCBBCU-UHFFFAOYSA-N 0 3 315.465 2.181 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C1 ZINC001182598577 795718240 /nfs/dbraw/zinc/71/82/40/795718240.db2.gz KNLOXNKBHPWJMZ-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN N#C[C@@H]1CC[C@H](OC(=O)C2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001122639879 795788895 /nfs/dbraw/zinc/78/88/95/795788895.db2.gz PGNJBRLQACUVRF-BYCMXARLSA-N 0 3 316.332 2.414 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC001183755517 795932784 /nfs/dbraw/zinc/93/27/84/795932784.db2.gz AERAFILIAAKNGC-ROUUACIJSA-N 0 3 313.445 2.028 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2ccc(Cl)o2)ccc1F ZINC001123559694 795933203 /nfs/dbraw/zinc/93/32/03/795933203.db2.gz ZLBUCQYXFOMWAA-UHFFFAOYSA-N 0 3 321.739 2.463 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001184117748 795998948 /nfs/dbraw/zinc/99/89/48/795998948.db2.gz QGBIMUGPJRJVKS-MRXNPFEDSA-N 0 3 307.397 2.371 20 30 DEEDHN C[C@H](C#N)C(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001124895048 796094045 /nfs/dbraw/zinc/09/40/45/796094045.db2.gz CQVZJCTTYYJRPX-SECBINFHSA-N 0 3 300.189 2.359 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)/C=C/C(C)(C)C ZINC001124930959 796094798 /nfs/dbraw/zinc/09/47/98/796094798.db2.gz SICUKUURVLQSAK-BOLDSZDNSA-N 0 3 323.481 2.108 20 30 DEEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)c(C#N)c1 ZINC001137699942 796127403 /nfs/dbraw/zinc/12/74/03/796127403.db2.gz ZSXCOLFWNCQSGV-HNNXBMFYSA-N 0 3 300.383 2.341 20 30 DEEDHN CN(C)C1(C)CN(C(=O)c2cc(Cl)c(C#N)c(Cl)n2)C1 ZINC001184801097 796128624 /nfs/dbraw/zinc/12/86/24/796128624.db2.gz NGOYIXYKLWYMRT-UHFFFAOYSA-N 0 3 313.188 2.036 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](O)[C@H](F)CC2)cc1OC ZINC001138343965 796201470 /nfs/dbraw/zinc/20/14/70/796201470.db2.gz TZGCUIBSUKORAY-HUUCEWRRSA-N 0 3 307.365 2.002 20 30 DEEDHN C#CCOc1ccc(CN2CCN3CCCC[C@H]3C2)cc1OC ZINC001138345352 796201595 /nfs/dbraw/zinc/20/15/95/796201595.db2.gz DEDXZNXTJUJUNK-KRWDZBQOSA-N 0 3 314.429 2.377 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2ocnc2C)C12CCC2 ZINC001202845563 796241763 /nfs/dbraw/zinc/24/17/63/796241763.db2.gz DHDBXJPPFDMPMJ-CVEARBPZSA-N 0 3 315.417 2.304 20 30 DEEDHN Cc1nocc1CN[C@@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202868996 796291271 /nfs/dbraw/zinc/29/12/71/796291271.db2.gz YRCMVULONLUQNG-CVEARBPZSA-N 0 3 315.417 2.159 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202876577 796300446 /nfs/dbraw/zinc/30/04/46/796300446.db2.gz IDVDXARPRLSNSF-LSDHHAIUSA-N 0 3 317.458 2.320 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCCN(C(=O)CCC)C2)nn1 ZINC001185843098 796326874 /nfs/dbraw/zinc/32/68/74/796326874.db2.gz PRVNOJUILXSBIA-INIZCTEOSA-N 0 3 319.453 2.298 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001186082938 796354044 /nfs/dbraw/zinc/35/40/44/796354044.db2.gz OXSWAILQNYJOKX-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccccc2OC(C)C)C1 ZINC001186311627 796390968 /nfs/dbraw/zinc/39/09/68/796390968.db2.gz APRMETGBMZAIGS-QGZVFWFLSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001186355610 796392716 /nfs/dbraw/zinc/39/27/16/796392716.db2.gz JCVFMTOCSXDBJB-XLIONFOSSA-N 0 3 310.441 2.494 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001186685510 796432131 /nfs/dbraw/zinc/43/21/31/796432131.db2.gz JQYKLLYWKSKXBL-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1 ZINC001186732226 796435655 /nfs/dbraw/zinc/43/56/55/796435655.db2.gz RRJJMADTVKJXBM-OAHLLOKOSA-N 0 3 306.356 2.111 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001139869756 796438908 /nfs/dbraw/zinc/43/89/08/796438908.db2.gz SECLCVBZRZCEQI-UHFFFAOYSA-N 0 3 305.378 2.483 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCc2ccon2)C12CCC2 ZINC001203169027 796494183 /nfs/dbraw/zinc/49/41/83/796494183.db2.gz NXELSPKJVUXGIF-KGLIPLIRSA-N 0 3 323.824 2.377 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110391632 796499906 /nfs/dbraw/zinc/49/99/06/796499906.db2.gz WWAQKLLVDLAONL-KURKYZTESA-N 0 3 314.429 2.419 20 30 DEEDHN N#Cc1ccc(C2CCN(CC3C(=O)N=CNC3=O)CC2)cc1 ZINC001140473931 796527517 /nfs/dbraw/zinc/52/75/17/796527517.db2.gz GNTSMWONGVSKKC-UHFFFAOYSA-N 0 3 310.357 2.139 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001187743094 796573004 /nfs/dbraw/zinc/57/30/04/796573004.db2.gz LGXYVRDPSBQNEG-JKSUJKDBSA-N 0 3 318.417 2.245 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cnccc2C)CC1 ZINC001141037566 796623068 /nfs/dbraw/zinc/62/30/68/796623068.db2.gz XDIXFJKLGDGDCX-UHFFFAOYSA-N 0 3 314.477 2.182 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2Cc3ccncc3C2)CC1 ZINC001161213082 796676484 /nfs/dbraw/zinc/67/64/84/796676484.db2.gz FURMSMKHMXNILT-QGZVFWFLSA-N 0 3 311.429 2.121 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001188501390 796678453 /nfs/dbraw/zinc/67/84/53/796678453.db2.gz BVZBYUGXLFAEOV-QUCCMNQESA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001188651908 796696652 /nfs/dbraw/zinc/69/66/52/796696652.db2.gz KOHIDWXQYCLWES-CQSZACIVSA-N 0 3 306.381 2.175 20 30 DEEDHN CSc1nc(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)ccc1C#N ZINC001141941233 796699140 /nfs/dbraw/zinc/69/91/40/796699140.db2.gz AESBMXADPQLELM-PYHGIMPFSA-N 0 3 301.415 2.284 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CNCc2cc(C)n(C)n2)CC1 ZINC001205404833 796733836 /nfs/dbraw/zinc/73/38/36/796733836.db2.gz PVYLWMVNCRKYCD-UHFFFAOYSA-N 0 3 318.465 2.413 20 30 DEEDHN CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001188958628 796746803 /nfs/dbraw/zinc/74/68/03/796746803.db2.gz IGSAJBWTMSCUEO-HNNXBMFYSA-N 0 3 321.421 2.115 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-c2cn[nH]c2)c1 ZINC001189256476 796792920 /nfs/dbraw/zinc/79/29/20/796792920.db2.gz DIYUPDIUEVOEGT-KRWDZBQOSA-N 0 3 310.401 2.457 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](N(C)CCOCC2CC2)C1 ZINC001189752386 796876904 /nfs/dbraw/zinc/87/69/04/796876904.db2.gz QHJWLGPPRNIIGP-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1c(CC)cccc1CC ZINC001189782495 796882991 /nfs/dbraw/zinc/88/29/91/796882991.db2.gz NJXXBGUTMCAWET-CYBMUJFWSA-N 0 3 303.362 2.388 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1c(CC)cccc1CC ZINC001189782500 796883483 /nfs/dbraw/zinc/88/34/83/796883483.db2.gz NJXXBGUTMCAWET-ZDUSSCGKSA-N 0 3 303.362 2.388 20 30 DEEDHN COc1cccc(CC(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001149791710 796895395 /nfs/dbraw/zinc/89/53/95/796895395.db2.gz ACRIPGZNWOWNHQ-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)C2(c3ccccc3)CC2)c1 ZINC001150092896 796919168 /nfs/dbraw/zinc/91/91/68/796919168.db2.gz YJORWVASGZQSFR-UHFFFAOYSA-N 0 3 319.408 2.496 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccccc2C)C1 ZINC001150691949 796969179 /nfs/dbraw/zinc/96/91/79/796969179.db2.gz GNMDXHPTKHGQDJ-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001150751988 796974948 /nfs/dbraw/zinc/97/49/48/796974948.db2.gz KLWDBCDKMFUCBS-PKOBYXMFSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cccc(C)c2F)C1 ZINC001190289537 796978846 /nfs/dbraw/zinc/97/88/46/796978846.db2.gz GDNNYWCKVUWFOI-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN CCOCCOC1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001190365394 796994384 /nfs/dbraw/zinc/99/43/84/796994384.db2.gz IQAZIOKXGLAQKI-GOSISDBHSA-N 0 3 318.417 2.109 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001190933383 797106370 /nfs/dbraw/zinc/10/63/70/797106370.db2.gz HGMUROHGSYBNIR-UPTPFMHGSA-N 0 3 306.450 2.302 20 30 DEEDHN CCCCCCCC[C@@H](C)C(=O)NCCNCC(=O)NCC ZINC001151848064 797107117 /nfs/dbraw/zinc/10/71/17/797107117.db2.gz DLNNRDTXEBIUNK-OAHLLOKOSA-N 0 3 313.486 2.215 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001190904724 797110326 /nfs/dbraw/zinc/11/03/26/797110326.db2.gz MJRMILGXYBVLGP-HUUCEWRRSA-N 0 3 308.447 2.269 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001191011781 797123925 /nfs/dbraw/zinc/12/39/25/797123925.db2.gz NHBBYEXMRDLKLL-QJPTWQEYSA-N 0 3 312.797 2.063 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N(CC)CC)CCCCC1 ZINC001152010851 797131368 /nfs/dbraw/zinc/13/13/68/797131368.db2.gz RSNJHWXTZOODRJ-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)cc(C)n2)C1 ZINC001191070742 797132577 /nfs/dbraw/zinc/13/25/77/797132577.db2.gz RDKMGXFUGDKABR-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CSC(C)C)C1 ZINC001191142335 797152909 /nfs/dbraw/zinc/15/29/09/797152909.db2.gz YBJYXGSIBBCYEA-HUUCEWRRSA-N 0 3 314.495 2.036 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(C)n2)C1 ZINC001191361300 797191122 /nfs/dbraw/zinc/19/11/22/797191122.db2.gz YJCUAUJXBXUQHS-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001191449910 797194019 /nfs/dbraw/zinc/19/40/19/797194019.db2.gz JHSAMTRFEDSWME-BBWFWOEESA-N 0 3 306.450 2.158 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](N(C)C[C@H]2CCCCO2)C1 ZINC001191867802 797278025 /nfs/dbraw/zinc/27/80/25/797278025.db2.gz IWXOWHLFPRAQPR-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001191891384 797282642 /nfs/dbraw/zinc/28/26/42/797282642.db2.gz YRKCOFZZRJDGSB-HOTGVXAUSA-N 0 3 304.438 2.018 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccn(CC)c2C)C1 ZINC001191901147 797284797 /nfs/dbraw/zinc/28/47/97/797284797.db2.gz GSBIZHNNOVVJRT-INIZCTEOSA-N 0 3 319.449 2.165 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCNCc1ccccc1OC(C)C ZINC001153097707 797284961 /nfs/dbraw/zinc/28/49/61/797284961.db2.gz RFMHYCPYHDMDDR-HNNXBMFYSA-N 0 3 320.433 2.271 20 30 DEEDHN CO[C@H]1CCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001153107525 797285885 /nfs/dbraw/zinc/28/58/85/797285885.db2.gz PKNUQFOTYLYMQK-CABCVRRESA-N 0 3 321.446 2.031 20 30 DEEDHN CC(C)CCO[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001153158472 797292145 /nfs/dbraw/zinc/29/21/45/797292145.db2.gz CPNIMYAQWUMALT-HNNXBMFYSA-N 0 3 317.433 2.215 20 30 DEEDHN CCN(CCn1cc(Cl)cn1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207706 797300296 /nfs/dbraw/zinc/30/02/96/797300296.db2.gz QLVDSMZDINIHAG-CQSZACIVSA-N 0 3 324.856 2.023 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001153313490 797319921 /nfs/dbraw/zinc/31/99/21/797319921.db2.gz SSWDQUCBXYMAOP-CYBMUJFWSA-N 0 3 304.438 2.020 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(C)(C)C(F)F)C1 ZINC001192246741 797342529 /nfs/dbraw/zinc/34/25/29/797342529.db2.gz LOHFGDPQQWTCQD-GFCCVEGCSA-N 0 3 304.381 2.013 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001153477763 797345087 /nfs/dbraw/zinc/34/50/87/797345087.db2.gz PTYLDOHWTJRSQQ-HUUCEWRRSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001153704703 797379737 /nfs/dbraw/zinc/37/97/37/797379737.db2.gz NAPLRERVPRLCDL-CQSZACIVSA-N 0 3 315.417 2.109 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001153755111 797387327 /nfs/dbraw/zinc/38/73/27/797387327.db2.gz CZBPIMVSPRAOJQ-AEFFLSMTSA-N 0 3 313.445 2.115 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001192568895 797407903 /nfs/dbraw/zinc/40/79/03/797407903.db2.gz GDTXGUJZSJMTAH-OAHLLOKOSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930519 797425368 /nfs/dbraw/zinc/42/53/68/797425368.db2.gz NVCVRYVERVRQEV-KGLIPLIRSA-N 0 3 303.878 2.152 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001192721880 797440651 /nfs/dbraw/zinc/44/06/51/797440651.db2.gz DLFISAYHJWMXMW-KCPJHIHWSA-N 0 3 308.447 2.186 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnoc1-c1ccco1 ZINC001154069376 797455615 /nfs/dbraw/zinc/45/56/15/797455615.db2.gz BMFUOWLQQFLLDO-GFCCVEGCSA-N 0 3 301.346 2.008 20 30 DEEDHN C#CC[C@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1ccccc1 ZINC001192792961 797456597 /nfs/dbraw/zinc/45/65/97/797456597.db2.gz UZHDZBKFEDNXBM-CABCVRRESA-N 0 3 314.351 2.196 20 30 DEEDHN CCCC[C@](C)(F)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001154075069 797456671 /nfs/dbraw/zinc/45/66/71/797456671.db2.gz XHNQJNRDSDLONL-WBVHZDCISA-N 0 3 314.445 2.381 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC001192845396 797461705 /nfs/dbraw/zinc/46/17/05/797461705.db2.gz HHUIBNGOVHLTKD-OAHLLOKOSA-N 0 3 308.447 2.405 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)C)nn1CC ZINC001154159110 797475589 /nfs/dbraw/zinc/47/55/89/797475589.db2.gz OWNWKOLZMOJWRP-CQSZACIVSA-N 0 3 304.438 2.100 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccccc1OCC ZINC001154193618 797482553 /nfs/dbraw/zinc/48/25/53/797482553.db2.gz JOGJHMRBFNAZOA-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C=C(Br)CNCCCNC(=O)/C=C\c1ccco1 ZINC001154218601 797487595 /nfs/dbraw/zinc/48/75/95/797487595.db2.gz QDSHJSYCXYPSMG-WAYWQWQTSA-N 0 3 313.195 2.297 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)C1CCOCC1 ZINC001154257591 797498592 /nfs/dbraw/zinc/49/85/92/797498592.db2.gz MNFMNEXWZIGCDK-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)OCc1ccccc1 ZINC001154278806 797502381 /nfs/dbraw/zinc/50/23/81/797502381.db2.gz ODNDGPBAJIVOAM-SJORKVTESA-N 0 3 316.445 2.442 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001193223272 797524828 /nfs/dbraw/zinc/52/48/28/797524828.db2.gz ZNPSKFHMZXOVGL-HFBAOOFYSA-N 0 3 322.474 2.495 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1(C2CCC2)CCC1 ZINC001154488942 797544736 /nfs/dbraw/zinc/54/47/36/797544736.db2.gz PJRXZAZZJUABBK-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1cc(F)ccc1C)[C@@H]1CCCO1 ZINC001193594600 797589447 /nfs/dbraw/zinc/58/94/47/797589447.db2.gz XCEQPCNKSDOOSQ-ZBFHGGJFSA-N 0 3 304.365 2.233 20 30 DEEDHN Cc1ccc(CC#N)c(-n2nc(C(F)(F)F)c3c2CCNC3)n1 ZINC001154845925 797625596 /nfs/dbraw/zinc/62/55/96/797625596.db2.gz GPZIVAVDZASHTI-UHFFFAOYSA-N 0 3 321.306 2.306 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(F)c(COC)c1 ZINC001155160866 797698271 /nfs/dbraw/zinc/69/82/71/797698271.db2.gz RCOYDJGBHDWGER-CQSZACIVSA-N 0 3 320.408 2.436 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC001155199193 797706848 /nfs/dbraw/zinc/70/68/48/797706848.db2.gz BZTXOEBCZVSFOP-HUUCEWRRSA-N 0 3 322.474 2.328 20 30 DEEDHN COc1nc(-n2c3ccccc3nc2[C@H](C)N)c(F)cc1C#N ZINC001155257649 797719294 /nfs/dbraw/zinc/71/92/94/797719294.db2.gz HZUQJXSOMYPUBZ-VIFPVBQESA-N 0 3 311.320 2.460 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1csc(C2CC2)n1 ZINC001155649904 797815723 /nfs/dbraw/zinc/81/57/23/797815723.db2.gz PMMVFVSMSDHDRJ-GFCCVEGCSA-N 0 3 305.447 2.023 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCc2cccc(C)c2)C1 ZINC001195081461 797828344 /nfs/dbraw/zinc/82/83/44/797828344.db2.gz RNYCTUBIYNRYAP-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001155710452 797832905 /nfs/dbraw/zinc/83/29/05/797832905.db2.gz HJBJHUZBAQULJQ-ZBFHGGJFSA-N 0 3 314.429 2.185 20 30 DEEDHN N#Cc1ccc2ncnc(N[C@H]3CCCC[C@@]34CNCCO4)c2c1 ZINC001155823628 797856685 /nfs/dbraw/zinc/85/66/85/797856685.db2.gz AXFVYEALGNJXSY-FUHWJXTLSA-N 0 3 323.400 2.215 20 30 DEEDHN N#Cc1cc(Cl)cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155826965 797858564 /nfs/dbraw/zinc/85/85/64/797858564.db2.gz WWMYXNSTSNCXNQ-DZGCQCFKSA-N 0 3 306.797 2.320 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001195262004 797861000 /nfs/dbraw/zinc/86/10/00/797861000.db2.gz HSRJRIVTPPSXAV-ZIAGYGMSSA-N 0 3 322.474 2.153 20 30 DEEDHN CC/C=C/CCN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001195536100 797922021 /nfs/dbraw/zinc/92/20/21/797922021.db2.gz UFIQWZCREVGYOS-ONEGZZNKSA-N 0 3 300.406 2.391 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001156149119 797933575 /nfs/dbraw/zinc/93/35/75/797933575.db2.gz BUZRXFIPDYOBOD-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCCCC(=O)N1CCCN(C[C@H]2CC(C)(C)CO2)CC1 ZINC001195674557 797937579 /nfs/dbraw/zinc/93/75/79/797937579.db2.gz GWZGGQZBLCOXBF-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC12CCCC2 ZINC001156218515 797951134 /nfs/dbraw/zinc/95/11/34/797951134.db2.gz QHZVVJZBIWWLCD-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCOCCC(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001195798143 797965022 /nfs/dbraw/zinc/96/50/22/797965022.db2.gz BIWPMWPRSQDKSK-QGZVFWFLSA-N 0 3 314.429 2.322 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001156306350 797971391 /nfs/dbraw/zinc/97/13/91/797971391.db2.gz PBNITIITAFYJLM-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2occc2Cl)C1 ZINC001195888075 797975604 /nfs/dbraw/zinc/97/56/04/797975604.db2.gz FAICDMJHMGFRKK-CYZMBNFOSA-N 0 3 312.797 2.063 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 ZINC001195997892 797989712 /nfs/dbraw/zinc/98/97/12/797989712.db2.gz YGFIFHHYQMLUCG-CHWSQXEVSA-N 0 3 306.397 2.163 20 30 DEEDHN COc1ccnc(-n2cncc2CNCc2ccccc2)c1C#N ZINC001156482710 798013296 /nfs/dbraw/zinc/01/32/96/798013296.db2.gz UPYJFOJVZCJMQM-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196243105 798030694 /nfs/dbraw/zinc/03/06/94/798030694.db2.gz TZYVJGGANUFEEJ-KRWDZBQOSA-N 0 3 316.449 2.028 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Br)o1 ZINC001156573281 798032748 /nfs/dbraw/zinc/03/27/48/798032748.db2.gz BHANXUSWXVJZNU-SNVBAGLBSA-N 0 3 313.195 2.116 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(N(C)C)cc1 ZINC001156579332 798033242 /nfs/dbraw/zinc/03/32/42/798033242.db2.gz RMMKBXLLGPFYEV-OAHLLOKOSA-N 0 3 301.434 2.216 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001196408167 798055422 /nfs/dbraw/zinc/05/54/22/798055422.db2.gz UWNBJELDYRFGIX-ILOCAZANSA-N 0 3 320.477 2.330 20 30 DEEDHN CS[C@@H](C)CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156753128 798076544 /nfs/dbraw/zinc/07/65/44/798076544.db2.gz DREXNKGGGMPGLM-LBPRGKRZSA-N 0 3 323.437 2.435 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(OC)cc1 ZINC001156767019 798079065 /nfs/dbraw/zinc/07/90/65/798079065.db2.gz JBBDJWZHFRYYGP-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1c(C)noc1C ZINC001156828883 798090138 /nfs/dbraw/zinc/09/01/38/798090138.db2.gz GNYUXSUIWUMPSH-CYBMUJFWSA-N 0 3 305.422 2.074 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001196665790 798090224 /nfs/dbraw/zinc/09/02/24/798090224.db2.gz GYUYYMZCJSFPPC-DOTOQJQBSA-N 0 3 314.445 2.498 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COCc1ccccc1 ZINC001156839098 798092911 /nfs/dbraw/zinc/09/29/11/798092911.db2.gz DBHHKONPGHTURG-MRXNPFEDSA-N 0 3 302.418 2.053 20 30 DEEDHN N#Cc1cc(C#N)c(-n2nc(CN)c3ccccc32)nc1Cl ZINC001156855316 798095957 /nfs/dbraw/zinc/09/59/57/798095957.db2.gz CKBGGCCORINBFE-UHFFFAOYSA-N 0 3 308.732 2.276 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001156923134 798110025 /nfs/dbraw/zinc/11/00/25/798110025.db2.gz ZABQWCJIYBUJLM-CYBMUJFWSA-N 0 3 313.401 2.250 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(OCC)c1 ZINC001157158659 798152279 /nfs/dbraw/zinc/15/22/79/798152279.db2.gz IHJSCYKBOJZFMY-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN 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C=CCC(CC=C)C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC001208193514 800927255 /nfs/dbraw/zinc/92/72/55/800927255.db2.gz HDLKAPSXEPPKPF-MRXNPFEDSA-N 0 3 316.449 2.269 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001208260641 800942724 /nfs/dbraw/zinc/94/27/24/800942724.db2.gz AGUIPILJHRONCY-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCC(=O)N[C@H](C)CCC)C1 ZINC001208262026 800943499 /nfs/dbraw/zinc/94/34/99/800943499.db2.gz WXYFZNMKGWVSMG-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)CCOCC1 ZINC001208311814 800950512 /nfs/dbraw/zinc/95/05/12/800950512.db2.gz FVBFTWRWCJOFGA-HZPDHXFCSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001208533420 801005797 /nfs/dbraw/zinc/00/57/97/801005797.db2.gz LDHOFUPTSGHELV-HPFXQQBRSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC001209145922 801135678 /nfs/dbraw/zinc/13/56/78/801135678.db2.gz JNDKVOIDHPIADQ-PBHICJAKSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCCCN1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@@H]21 ZINC001209162107 801140385 /nfs/dbraw/zinc/14/03/85/801140385.db2.gz RTHVWCZDWCRPIA-OWCLPIDISA-N 0 3 303.406 2.301 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001209182778 801144807 /nfs/dbraw/zinc/14/48/07/801144807.db2.gz IRSMQDALOFYGJY-DOTOQJQBSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCCCCN1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001209207315 801151566 /nfs/dbraw/zinc/15/15/66/801151566.db2.gz SDGRBKSWXXYRLJ-UHFFFAOYSA-N 0 3 300.450 2.244 20 30 DEEDHN C#CCCCN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001209263429 801162000 /nfs/dbraw/zinc/16/20/00/801162000.db2.gz LFIQPEFYODZNDN-RCCFBDPRSA-N 0 3 300.402 2.243 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCC(=O)N[C@@H](C)C(C)C)C1 ZINC001209367069 801176604 /nfs/dbraw/zinc/17/66/04/801176604.db2.gz YDNCFRZTROHQMO-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCCCN1CCCn2cnc(COCCO)c2C1 ZINC001209422636 801190258 /nfs/dbraw/zinc/19/02/58/801190258.db2.gz FMPCBBBXZANIFJ-UHFFFAOYSA-N 0 3 307.438 2.344 20 30 DEEDHN CC[C@@H](C#CC(=O)OC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302074 801253322 /nfs/dbraw/zinc/25/33/22/801253322.db2.gz FUAPLOANIGBYHB-HNNXBMFYSA-N 0 3 317.385 2.155 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cnccc1N)C2 ZINC001209725106 801264964 /nfs/dbraw/zinc/26/49/64/801264964.db2.gz HDRPUNKLALFTPA-MSOLQXFVSA-N 0 3 317.433 2.068 20 30 DEEDHN C#CCCN(CCCNC(=O)c1ccco1)Cc1cccnc1 ZINC001230653056 801450724 /nfs/dbraw/zinc/45/07/24/801450724.db2.gz MNZNYPLZDCBXCV-UHFFFAOYSA-N 0 3 311.385 2.320 20 30 DEEDHN C#CCCN(CCCNC(=O)c1cccnc1)Cc1cccnc1 ZINC001230653141 801452171 /nfs/dbraw/zinc/45/21/71/801452171.db2.gz SSRDSPMCBMPOQJ-UHFFFAOYSA-N 0 3 322.412 2.122 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001230659867 801455259 /nfs/dbraw/zinc/45/52/59/801455259.db2.gz ZUJLRNFOFMPKIK-KRWDZBQOSA-N 0 3 317.433 2.213 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(CC)cc2)C1 ZINC001210762364 801460710 /nfs/dbraw/zinc/46/07/10/801460710.db2.gz UYZQMCOHFNUALV-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN C[C@@H](F)CCN(CCCNC(=O)[C@@H](C)C#N)Cc1cccnc1 ZINC001230713928 801471357 /nfs/dbraw/zinc/47/13/57/801471357.db2.gz PIDKPDJIQZWYRZ-LSDHHAIUSA-N 0 3 320.412 2.298 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CN1CCCC1=O ZINC001230738380 801479369 /nfs/dbraw/zinc/47/93/69/801479369.db2.gz FNSWGIBQQCVAHU-MRXNPFEDSA-N 0 3 323.481 2.112 20 30 DEEDHN CC#CCN[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001210906635 801485475 /nfs/dbraw/zinc/48/54/75/801485475.db2.gz SMJPPNKSGUONRG-CQSZACIVSA-N 0 3 324.380 2.011 20 30 DEEDHN CN(C[C@H]1CCN1CC1CC(C)(C)C1)C(=O)CSCC#N ZINC001230814573 801500864 /nfs/dbraw/zinc/50/08/64/801500864.db2.gz DLXOTLATQXCPPP-CQSZACIVSA-N 0 3 309.479 2.212 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001211355062 801553521 /nfs/dbraw/zinc/55/35/21/801553521.db2.gz LUHCKEIUPARQFQ-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2conc2CC)[C@H](OC)C1 ZINC001213395129 801602743 /nfs/dbraw/zinc/60/27/43/801602743.db2.gz NXHMUJASLWYNRU-DAXOMENPSA-N 0 3 321.421 2.021 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2OC)CCC1 ZINC001213397414 801604539 /nfs/dbraw/zinc/60/45/39/801604539.db2.gz LVUCJGQPGZMOJV-HZPDHXFCSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2ccco2)[C@H](OC)C1 ZINC001213600399 801625953 /nfs/dbraw/zinc/62/59/53/801625953.db2.gz RJUIGXPXXCCPBV-IAGOWNOFSA-N 0 3 320.433 2.384 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)OCC=C)[C@H](OC)C1 ZINC001213961425 801658888 /nfs/dbraw/zinc/65/88/88/801658888.db2.gz CKDVCFHXWWERPB-GVDBMIGSSA-N 0 3 324.465 2.139 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(CC)CC)C1 ZINC001214746009 801757022 /nfs/dbraw/zinc/75/70/22/801757022.db2.gz SONJCQKUJVWSFS-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN Cn1cc(CN2CCC3SC(=O)C=C3C2)c(C(F)(F)F)n1 ZINC001232092421 801791515 /nfs/dbraw/zinc/79/15/15/801791515.db2.gz JJYNAQBCJDBNTL-JTQLQIEISA-N 0 3 317.336 2.213 20 30 DEEDHN CCC1=NC2(CCN(Cc3ccc(C#N)cc3C)CC2)C(=O)N1C ZINC001233083729 802021995 /nfs/dbraw/zinc/02/19/95/802021995.db2.gz YHEJLHJRZOZMHK-UHFFFAOYSA-N 0 3 324.428 2.482 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CC3CCCC3)[C@H]2C1 ZINC001217206738 802053863 /nfs/dbraw/zinc/05/38/63/802053863.db2.gz PTLSTEYZRSISTB-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](C)OCCCC)[C@H]2C1 ZINC001217469249 802078646 /nfs/dbraw/zinc/07/86/46/802078646.db2.gz NAYFKZKVGHXTAE-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN N#Cc1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)c([O-])c1 ZINC001233386302 802102834 /nfs/dbraw/zinc/10/28/34/802102834.db2.gz OCLAGAOOKROOAQ-UHFFFAOYSA-N 0 3 322.412 2.019 20 30 DEEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001217833970 802114865 /nfs/dbraw/zinc/11/48/65/802114865.db2.gz AFKMMLOORUASSM-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN CC(C)C#CC(=O)N1CCO[C@@H]2CN(C[C@H](C)CC(C)C)C[C@@H]21 ZINC001217852620 802116278 /nfs/dbraw/zinc/11/62/78/802116278.db2.gz OPAIMYBLTNFZIO-FGTMMUONSA-N 0 3 320.477 2.240 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H](CC)CC(F)F)[C@H]2C1 ZINC001218101503 802142818 /nfs/dbraw/zinc/14/28/18/802142818.db2.gz RTXJXEWWJKYHGU-MELADBBJSA-N 0 3 316.392 2.156 20 30 DEEDHN C=C1CC[NH2+]C[C@H]1Oc1nc2cc(C(=O)OCC)ccc2[n-]1 ZINC001218208147 802153606 /nfs/dbraw/zinc/15/36/06/802153606.db2.gz XGIQKNGBAJYJEH-CQSZACIVSA-N 0 3 301.346 2.037 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CCCC=C)C[C@@H]32)cc1 ZINC001218408549 802179042 /nfs/dbraw/zinc/17/90/42/802179042.db2.gz BVLQSIGHWWGUPJ-RBUKOAKNSA-N 0 3 324.424 2.159 20 30 DEEDHN CN(C[C@H]1CCN1CCCCCF)C(=O)c1c[nH]c(C#N)c1 ZINC001233743198 802195902 /nfs/dbraw/zinc/19/59/02/802195902.db2.gz UZPWNUJEXXSFQY-OAHLLOKOSA-N 0 3 306.385 2.172 20 30 DEEDHN C#Cc1cc(NC(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)ccn1 ZINC001218525492 802198228 /nfs/dbraw/zinc/19/82/28/802198228.db2.gz XPHKFBWRNWXHDS-GOSISDBHSA-N 0 3 321.424 2.291 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1N ZINC001233819793 802215504 /nfs/dbraw/zinc/21/55/04/802215504.db2.gz PQVMVCFLNPNNKI-CQSZACIVSA-N 0 3 321.469 2.119 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001233865208 802228589 /nfs/dbraw/zinc/22/85/89/802228589.db2.gz GKWWCXJPQJUUPX-AWEZNQCLSA-N 0 3 323.437 2.095 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](O)C1 ZINC001219098526 802281323 /nfs/dbraw/zinc/28/13/23/802281323.db2.gz KKEPVNNAXCGSOI-SJORKVTESA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](O)C1 ZINC001219173912 802294062 /nfs/dbraw/zinc/29/40/62/802294062.db2.gz ZNBVMPBVLLBLQL-ZACQAIPSSA-N 0 3 306.450 2.250 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@@H](O)C1 ZINC001219283744 802305647 /nfs/dbraw/zinc/30/56/47/802305647.db2.gz AHGBHAJULVJQDT-RVSUXWIQSA-N 0 3 308.466 2.474 20 30 DEEDHN N#CC1(NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001219606474 802354976 /nfs/dbraw/zinc/35/49/76/802354976.db2.gz MDNMTHMALYRMKB-GFCCVEGCSA-N 0 3 311.307 2.138 20 30 DEEDHN COCCCC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001234398383 802368195 /nfs/dbraw/zinc/36/81/95/802368195.db2.gz RNUCXNVTNISGND-UHFFFAOYSA-N 0 3 321.396 2.062 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@@H](O)C1 ZINC001219848551 802382399 /nfs/dbraw/zinc/38/23/99/802382399.db2.gz PRZBSACZCUSRML-CVEARBPZSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@@H](O)C1 ZINC001219908736 802389950 /nfs/dbraw/zinc/38/99/50/802389950.db2.gz QSLWXJGSBQXSAM-IJEWVQPXSA-N 0 3 300.418 2.032 20 30 DEEDHN C[NH+](C)C1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234514015 802398327 /nfs/dbraw/zinc/39/83/27/802398327.db2.gz QQDWFMBSNHUVRN-UHFFFAOYSA-N 0 3 312.373 2.459 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220201319 802425314 /nfs/dbraw/zinc/42/53/14/802425314.db2.gz MJMFLYAFOMDDHY-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(Cl)c(C)c2)[C@@H](O)C1 ZINC001220260082 802434614 /nfs/dbraw/zinc/43/46/14/802434614.db2.gz DEABBVIGSUMGKW-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@@H]2O)CCC1 ZINC001220295393 802440877 /nfs/dbraw/zinc/44/08/77/802440877.db2.gz NYCNJPYWHKDIMX-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2occc2C)[C@@H](O)C1 ZINC001220314795 802443432 /nfs/dbraw/zinc/44/34/32/802443432.db2.gz HMBVOWZSKSAJBA-CVEARBPZSA-N 0 3 320.433 2.038 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@@H](O)C1 ZINC001220556405 802473829 /nfs/dbraw/zinc/47/38/29/802473829.db2.gz VPWNIDASBAIOJE-XYPHTWIQSA-N 0 3 320.433 2.127 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CCC)c2ccccc2)[C@@H](O)C1 ZINC001220915875 802513011 /nfs/dbraw/zinc/51/30/11/802513011.db2.gz RYKYFFGYKQKVAH-KSZLIROESA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001221530502 802589690 /nfs/dbraw/zinc/58/96/90/802589690.db2.gz NXJQFRPQYSEWMI-IAGOWNOFSA-N 0 3 304.434 2.222 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221538776 802591243 /nfs/dbraw/zinc/59/12/43/802591243.db2.gz BLWVTDOTPBQZDV-CGTJXYLNSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(C[C@H]3CCCCO3)C[C@H]21 ZINC001221584725 802595028 /nfs/dbraw/zinc/59/50/28/802595028.db2.gz AKHADTVOTYTJBD-BRWVUGGUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](OCC)C(=C)C)[C@@H]2C1 ZINC001221586773 802595919 /nfs/dbraw/zinc/59/59/19/802595919.db2.gz RCNDWVULJFMVCA-BRWVUGGUSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CC1(CC(=O)N2C[C@H]3CCN(C[C@@H](C)O)C[C@H]32)CCCCC1 ZINC001221867587 802622522 /nfs/dbraw/zinc/62/25/22/802622522.db2.gz XUTSUUJJICQVPW-BRWVUGGUSA-N 0 3 320.477 2.427 20 30 DEEDHN N#Cc1cc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)ccn1 ZINC001222735701 802734239 /nfs/dbraw/zinc/73/42/39/802734239.db2.gz WDQHPABCNYDBQT-QAQDUYKDSA-N 0 3 301.390 2.113 20 30 DEEDHN Cc1ncsc1CN1CCC(CNC(=O)C#CC(C)C)CC1 ZINC001223096735 802765318 /nfs/dbraw/zinc/76/53/18/802765318.db2.gz NBDLZECHDZUVJW-UHFFFAOYSA-N 0 3 319.474 2.439 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H](OCC)C2=CCCC2)CC1 ZINC001223194333 802772666 /nfs/dbraw/zinc/77/26/66/802772666.db2.gz JJAAKXPDWSRPHC-SFHVURJKSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)[C@@H](F)C(C)C)C[C@@H]21 ZINC001223277669 802777619 /nfs/dbraw/zinc/77/76/19/802777619.db2.gz LNXHCBADKJJXBL-PMPSAXMXSA-N 0 3 312.429 2.106 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)c2ccncc2)CC1 ZINC001223604911 802803612 /nfs/dbraw/zinc/80/36/12/802803612.db2.gz OGNDPIAEJPYMQO-INIZCTEOSA-N 0 3 313.445 2.427 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCc2csc(C)n2)CC1 ZINC001224738937 802899800 /nfs/dbraw/zinc/89/98/00/802899800.db2.gz FMVSXILXSICPFN-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@H]2CCCOC2)CC1 ZINC001225038009 802929673 /nfs/dbraw/zinc/92/96/73/802929673.db2.gz LINQGBPKDOENFY-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)cc3)C[C@H]1N2C ZINC001225247533 802946396 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ZINC001567995017 1064583448 /nfs/dbraw/zinc/58/34/48/1064583448.db2.gz AZHCMAWWHIWDDO-UHFFFAOYSA-N 0 3 323.462 2.173 20 30 DEEDHN CC[C@H](CNC(=O)C(F)F)NCC#Cc1cccc(Cl)c1 ZINC001494929760 1064584741 /nfs/dbraw/zinc/58/47/41/1064584741.db2.gz FUYJZEMQBIEFQA-CYBMUJFWSA-N 0 3 314.763 2.441 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001568050178 1064618558 /nfs/dbraw/zinc/61/85/58/1064618558.db2.gz LSAYXDSBYYXTAS-ZDUSSCGKSA-N 0 3 323.824 2.372 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001495052911 1064667830 /nfs/dbraw/zinc/66/78/30/1064667830.db2.gz BYDRHNFDYPEOEZ-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CC1(CC(=O)NC[C@H](CC)N[C@H](C)C(=O)NC)CCCCC1 ZINC001495075546 1064682340 /nfs/dbraw/zinc/68/23/40/1064682340.db2.gz ZTEYIKXCDXSMJH-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1csnc1OC ZINC001568187082 1064691501 /nfs/dbraw/zinc/69/15/01/1064691501.db2.gz KEPCQLZMEDENDJ-LLVKDONJSA-N 0 3 311.451 2.206 20 30 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C=CCCN1CC[C@@H]1CNC(=O)CCc1nc2ccccc2[nH]1 ZINC001569365187 1065460126 /nfs/dbraw/zinc/46/01/26/1065460126.db2.gz XNFBWCSVZYCLIL-CQSZACIVSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)n1cnc2ccccc21 ZINC001569379509 1065473463 /nfs/dbraw/zinc/47/34/63/1065473463.db2.gz COHNEROTXNXCNY-CABCVRRESA-N 0 3 312.417 2.364 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)Cn1ccnc1C ZINC001496488823 1065505589 /nfs/dbraw/zinc/50/55/89/1065505589.db2.gz CKOGLXKKPXIEJH-IUODEOHRSA-N 0 3 324.856 2.161 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](OCC)C3CC3)C2)C1 ZINC001569465552 1065525347 /nfs/dbraw/zinc/52/53/47/1065525347.db2.gz JSNGPFSUVMWEDN-IEBWSBKVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCCCOCC)C2)C1 ZINC001569480547 1065532307 /nfs/dbraw/zinc/53/23/07/1065532307.db2.gz CEAGBNATITZXQH-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CC[C@@H]1CCCO1)C(C)C ZINC001496533795 1065542657 /nfs/dbraw/zinc/54/26/57/1065542657.db2.gz 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/nfs/dbraw/zinc/23/01/12/1066230112.db2.gz XJWDRVVPZDOPDO-LFAOLKIESA-N 0 3 302.393 2.290 20 30 DEEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1F ZINC001575369677 1066279270 /nfs/dbraw/zinc/27/92/70/1066279270.db2.gz OUECGRQDNKFBGS-YNAXMUEKSA-N 0 3 315.392 2.316 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccccc1OCC1CC1 ZINC001497764542 1066295654 /nfs/dbraw/zinc/29/56/54/1066295654.db2.gz ORESLADJMFHQTK-SREVYHEPSA-N 0 3 312.413 2.374 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](C)[C@H]2CCCO2)C1 ZINC001368606728 1148521293 /nfs/dbraw/zinc/52/12/93/1148521293.db2.gz KVZVZNYMVMMYOA-CYUUQNCZSA-N 0 3 314.857 2.429 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)CC1CCC(C)(C)CC1 ZINC001498207512 1066557152 /nfs/dbraw/zinc/55/71/52/1066557152.db2.gz UZDLLYMYTLYEDV-HNNXBMFYSA-N 0 3 308.466 2.337 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001498270685 1066608341 /nfs/dbraw/zinc/60/83/41/1066608341.db2.gz RHIIVKDQZLJSBT-CQDKDKBSSA-N 0 3 321.371 2.396 20 30 DEEDHN CC(C)OCC(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001498524599 1066761924 /nfs/dbraw/zinc/76/19/24/1066761924.db2.gz PTYUOCAFKYPIMR-UHFFFAOYSA-N 0 3 321.396 2.060 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnn(CCC)c1C ZINC001498634006 1066812998 /nfs/dbraw/zinc/81/29/98/1066812998.db2.gz VBTFBQTUSQCOOE-UHFFFAOYSA-N 0 3 312.845 2.406 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001498801961 1066899455 /nfs/dbraw/zinc/89/94/55/1066899455.db2.gz KLLRFCDPQDRDLJ-ZIAGYGMSSA-N 0 3 309.410 2.352 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)CCCF)C2CC2)cc1F ZINC001498802930 1066900572 /nfs/dbraw/zinc/90/05/72/1066900572.db2.gz NXSQHLLAVHQTID-INIZCTEOSA-N 0 3 321.371 2.431 20 30 DEEDHN CCOC(=O)c1sc(NC(=O)[C@H](N)CCCC#N)cc1C ZINC001578070260 1066971328 /nfs/dbraw/zinc/97/13/28/1066971328.db2.gz UZWYLGATDCGJBH-SNVBAGLBSA-N 0 3 309.391 2.193 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCOCC(F)(F)F ZINC001499012417 1067024881 /nfs/dbraw/zinc/02/48/81/1067024881.db2.gz JJXQFMDXKBTCIV-GFCCVEGCSA-N 0 3 308.344 2.112 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001369223241 1148873040 /nfs/dbraw/zinc/87/30/40/1148873040.db2.gz GRMCBUTUQKDBJF-LLVKDONJSA-N 0 3 302.403 2.198 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001499033178 1067041491 /nfs/dbraw/zinc/04/14/91/1067041491.db2.gz QQVHTZHMXKUSTE-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN CN1CCN(C(=O)[C@H](N)CCCC#N)c2ccc(Cl)cc21 ZINC001578530961 1067126634 /nfs/dbraw/zinc/12/66/34/1067126634.db2.gz ZJHGJRBABOPUPA-GFCCVEGCSA-N 0 3 306.797 2.144 20 30 DEEDHN COC(=O)c1sc(NC(=O)[C@@H](N)CCCCC#N)cc1C ZINC001578892114 1067193105 /nfs/dbraw/zinc/19/31/05/1067193105.db2.gz YZXVDSCEQOCOAU-JTQLQIEISA-N 0 3 309.391 2.193 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NCCC(F)(F)F)CC1 ZINC001499389812 1067205560 /nfs/dbraw/zinc/20/55/60/1067205560.db2.gz RNHXRNJTNAWSBL-RYUDHWBXSA-N 0 3 320.355 2.158 20 30 DEEDHN COc1cc(CNC(=O)[C@@H](N)CC2CCCCC2)ccc1C#N ZINC001579148770 1067243085 /nfs/dbraw/zinc/24/30/85/1067243085.db2.gz BIAPHUHQORQXPU-INIZCTEOSA-N 0 3 315.417 2.481 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001499535214 1067247922 /nfs/dbraw/zinc/24/79/22/1067247922.db2.gz GWBBBHYTQLZESX-INIZCTEOSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001499549590 1067254463 /nfs/dbraw/zinc/25/44/63/1067254463.db2.gz GQOCLWLZBMPMHK-VVLHAWIVSA-N 0 3 306.450 2.136 20 30 DEEDHN C=CCCC(=O)N1CC[C@@]2(CCN(CCOCC(F)F)C2)C1 ZINC001499595608 1067272448 /nfs/dbraw/zinc/27/24/48/1067272448.db2.gz AOWBBXIXWVTUIC-MRXNPFEDSA-N 0 3 316.392 2.159 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cnc(C)o2)C[C@@H]1C ZINC001499822956 1067346892 /nfs/dbraw/zinc/34/68/92/1067346892.db2.gz BSWSDIFPYKMTIQ-ZFWWWQNUSA-N 0 3 303.406 2.256 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001369225295 1148874110 /nfs/dbraw/zinc/87/41/10/1148874110.db2.gz ASVPWDQNWGVHNC-WFASDCNBSA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2cc3n(n2)CCC3)C1 ZINC001267043935 1078523844 /nfs/dbraw/zinc/52/38/44/1078523844.db2.gz NIUUEDWOJPOSPF-OAHLLOKOSA-N 0 3 316.449 2.124 20 30 DEEDHN N#CCCCOc1cccc(CN[C@H]2CNCCC2(F)F)c1 ZINC001580051428 1067483264 /nfs/dbraw/zinc/48/32/64/1067483264.db2.gz HFKRJZFRKYLBMI-HNNXBMFYSA-N 0 3 309.360 2.456 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ncc(OC)cc1F ZINC001483470890 1078554285 /nfs/dbraw/zinc/55/42/85/1078554285.db2.gz GTLOSTMPZHZPEF-UHFFFAOYSA-N 0 3 315.776 2.034 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc2cnccc2c1 ZINC001483479826 1078558358 /nfs/dbraw/zinc/55/83/58/1078558358.db2.gz RUESWSFXPPAHAW-UHFFFAOYSA-N 0 3 318.808 2.434 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2nccnc2C)C1 ZINC001483490573 1078562908 /nfs/dbraw/zinc/56/29/08/1078562908.db2.gz MJOGIXMOJDRWEG-UHFFFAOYSA-N 0 3 302.422 2.079 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc(COC)c2)C1 ZINC001267108546 1078586110 /nfs/dbraw/zinc/58/61/10/1078586110.db2.gz QMNORBWEBRBDSW-SFHVURJKSA-N 0 3 314.429 2.393 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001483545113 1078589776 /nfs/dbraw/zinc/58/97/76/1078589776.db2.gz KQZDLRBMGQHLGR-RHSMWYFYSA-N 0 3 316.470 2.274 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(C)onc2CC)C1 ZINC001267114861 1078592666 /nfs/dbraw/zinc/59/26/66/1078592666.db2.gz MWWXGONGUWMRBW-AWEZNQCLSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCCCC(=O)N[C@H](CNCc1cnc(C)s1)C1CC1 ZINC001483557285 1078595896 /nfs/dbraw/zinc/59/58/96/1078595896.db2.gz LWPCRBUAUGBLKE-OAHLLOKOSA-N 0 3 305.447 2.239 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2cc(OC)ccn2)C1 ZINC001267144469 1078611687 /nfs/dbraw/zinc/61/16/87/1078611687.db2.gz ZDZIJVDUZYZNCE-AWEZNQCLSA-N 0 3 317.433 2.431 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(CC)nnc1C ZINC001570536039 1067990914 /nfs/dbraw/zinc/99/09/14/1067990914.db2.gz IXLWIKZWUSEPBC-OAHLLOKOSA-N 0 3 302.422 2.070 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC001570537059 1067991132 /nfs/dbraw/zinc/99/11/32/1067991132.db2.gz WUBREKSROJHSBQ-INIZCTEOSA-N 0 3 318.465 2.078 20 30 DEEDHN CC#CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC001570542703 1067997607 /nfs/dbraw/zinc/99/76/07/1067997607.db2.gz WDBOMWUBKWVQIV-INIZCTEOSA-N 0 3 324.428 2.431 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1csc(CC)n1 ZINC001570549439 1068002494 /nfs/dbraw/zinc/00/24/94/1068002494.db2.gz YAYWPSXGRUTERA-AWEZNQCLSA-N 0 3 307.463 2.357 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2cnc(C)cn2)C1 ZINC001570562704 1068007637 /nfs/dbraw/zinc/00/76/37/1068007637.db2.gz ROZXJIXWRWPDMC-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001267879152 1079563992 /nfs/dbraw/zinc/56/39/92/1079563992.db2.gz BMEHJHBNHOSCQD-CYBMUJFWSA-N 0 3 323.824 2.372 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1ccncc1 ZINC001570585471 1068021578 /nfs/dbraw/zinc/02/15/78/1068021578.db2.gz VYZRNOFYTBIPSC-HZPDHXFCSA-N 0 3 307.397 2.230 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570597728 1068030530 /nfs/dbraw/zinc/03/05/30/1068030530.db2.gz BPYXRVXLIMKXKL-OLZOCXBDSA-N 0 3 303.431 2.406 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H](C)c2ccccc2)C1 ZINC001570860237 1068142628 /nfs/dbraw/zinc/14/26/28/1068142628.db2.gz PEXQERRTGQDZAP-CVEARBPZSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC001570905012 1068155683 /nfs/dbraw/zinc/15/56/83/1068155683.db2.gz MKTGXZASNMKFGH-HNNXBMFYSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001267206128 1078664804 /nfs/dbraw/zinc/66/48/04/1078664804.db2.gz OAEZTPCZSLGWKA-HNNXBMFYSA-N 0 3 308.809 2.268 20 30 DEEDHN C[C@H](CCCNCc1ccns1)NC(=O)c1cc(C#N)c[nH]1 ZINC001571240486 1068199517 /nfs/dbraw/zinc/19/95/17/1068199517.db2.gz ILDFFSFLOAUPEP-LLVKDONJSA-N 0 3 317.418 2.031 20 30 DEEDHN Cc1ccccc1[C@H](C)N[C@@H](CO)CNC(=O)C#CC(C)(C)C ZINC001571428580 1068288978 /nfs/dbraw/zinc/28/89/78/1068288978.db2.gz LUPMXXKEXDZQOO-JKSUJKDBSA-N 0 3 316.445 2.172 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)NCc1ccc(Cl)cc1C ZINC001571436650 1068291971 /nfs/dbraw/zinc/29/19/71/1068291971.db2.gz FMKWXTPFWMLLRZ-OAHLLOKOSA-N 0 3 324.852 2.427 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1cccnc1 ZINC001571449547 1068296088 /nfs/dbraw/zinc/29/60/88/1068296088.db2.gz OWMGPJZGKKEDOD-APWZRJJASA-N 0 3 319.408 2.326 20 30 DEEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)c1ccncc1 ZINC001571469960 1068321135 /nfs/dbraw/zinc/32/11/35/1068321135.db2.gz XIFLTBYAUSOVTI-QFBILLFUSA-N 0 3 319.408 2.326 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)CCO[C@@H]1CCCC[C@H]1C ZINC001267241079 1078691441 /nfs/dbraw/zinc/69/14/41/1078691441.db2.gz JPOCEBIEXLCOIV-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001571486734 1068343497 /nfs/dbraw/zinc/34/34/97/1068343497.db2.gz IPZAXSFOBDHMND-AAEUAGOBSA-N 0 3 324.346 2.249 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2ccsc2)C[C@@H]1C ZINC001571496065 1068354385 /nfs/dbraw/zinc/35/43/85/1068354385.db2.gz YYBRDGJTTSKYCA-ZFWWWQNUSA-N 0 3 308.447 2.420 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2ccncc2C)[C@H]1C ZINC001571517333 1068381000 /nfs/dbraw/zinc/38/10/00/1068381000.db2.gz QTGJNDFJZQPQEZ-NVXWUHKLSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2occc2C)[C@H]1C ZINC001571522636 1068392267 /nfs/dbraw/zinc/39/22/67/1068392267.db2.gz ICUDFWYFKUKBJY-CVEARBPZSA-N 0 3 320.433 2.302 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001571604513 1068434530 /nfs/dbraw/zinc/43/45/30/1068434530.db2.gz ZRVGOBAZXVVEIC-OAHLLOKOSA-N 0 3 310.825 2.199 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001571607983 1068437612 /nfs/dbraw/zinc/43/76/12/1068437612.db2.gz WHTXMPSLIKAQED-IAGOWNOFSA-N 0 3 316.445 2.044 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC001571690926 1068483544 /nfs/dbraw/zinc/48/35/44/1068483544.db2.gz SJUXIYULAKEWJW-UHFFFAOYSA-N 0 3 314.429 2.480 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001571694751 1068485084 /nfs/dbraw/zinc/48/50/84/1068485084.db2.gz RUIMSMFOXXNIGV-UHFFFAOYSA-N 0 3 323.824 2.233 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2ccsn2)c(F)c1 ZINC001571702683 1068491105 /nfs/dbraw/zinc/49/11/05/1068491105.db2.gz CYUMBSWVVYXRFV-UHFFFAOYSA-N 0 3 305.378 2.488 20 30 DEEDHN CC(C)(NCc1cc(=O)n2ncc(C#N)c2[nH]1)c1ccccc1 ZINC001641707372 1078725103 /nfs/dbraw/zinc/72/51/03/1078725103.db2.gz LEORUJQLIIGHTF-UHFFFAOYSA-N 0 3 307.357 2.331 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001572297711 1068722755 /nfs/dbraw/zinc/72/27/55/1068722755.db2.gz MPWVULZNVSJQTC-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CCN1CC1CC(OCC)C1 ZINC001483673245 1078772362 /nfs/dbraw/zinc/77/23/62/1078772362.db2.gz OJUFZRAITFXDSW-AQFXKWCLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001572438952 1068770064 /nfs/dbraw/zinc/77/00/64/1068770064.db2.gz PADCUFSQTPPSNS-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN CC(C)(C)[C@@H](N)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001573458361 1069004584 /nfs/dbraw/zinc/00/45/84/1069004584.db2.gz SDBOYSCHZBCPLY-NSHDSACASA-N 0 3 310.741 2.432 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCCOc1ccccc1C ZINC001267410227 1078831918 /nfs/dbraw/zinc/83/19/18/1078831918.db2.gz GEHDWCAOXUGZEE-UHFFFAOYSA-N 0 3 302.418 2.225 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)=O ZINC001483708591 1078835275 /nfs/dbraw/zinc/83/52/75/1078835275.db2.gz XPEMSNDXBARWRX-IAGOWNOFSA-N 0 3 323.481 2.158 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)C1(CCF)CC1 ZINC001267406856 1078836474 /nfs/dbraw/zinc/83/64/74/1078836474.db2.gz FEHPTQGUXSIGPG-UHFFFAOYSA-N 0 3 321.371 2.385 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCOC1 ZINC001644706861 1078857456 /nfs/dbraw/zinc/85/74/56/1078857456.db2.gz DQCDGMWPQHNELN-RYRKJORJSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2nccn2CC)C1 ZINC001272422603 1078860968 /nfs/dbraw/zinc/86/09/68/1078860968.db2.gz XIWYZQXBQSGXLH-ZDUSSCGKSA-N 0 3 310.829 2.097 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001574851139 1069276722 /nfs/dbraw/zinc/27/67/22/1069276722.db2.gz ANKXEZSWPKLOKH-MJBXVCDLSA-N 0 3 300.830 2.122 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001521908502 1069281880 /nfs/dbraw/zinc/28/18/80/1069281880.db2.gz XDADPUQSBMIUPW-GRYCIOLGSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC001574908199 1069293994 /nfs/dbraw/zinc/29/39/94/1069293994.db2.gz HIKIKWWYPCLMNV-CYBMUJFWSA-N 0 3 318.352 2.176 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC001574963442 1069308847 /nfs/dbraw/zinc/30/88/47/1069308847.db2.gz UQEQGFRZVAVPCL-ZWNOBZJWSA-N 0 3 309.207 2.367 20 30 DEEDHN C#CCN(C(=O)c1cc(F)cc(Cl)c1N)C1CCN(C)CC1 ZINC001645259294 1078889507 /nfs/dbraw/zinc/88/95/07/1078889507.db2.gz LHDXOOLIWMNGMG-UHFFFAOYSA-N 0 3 323.799 2.231 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001543364251 1072492161 /nfs/dbraw/zinc/49/21/61/1072492161.db2.gz QGVGVWNRBFTALC-OJXHRBAXSA-N 0 3 318.392 2.399 20 30 DEEDHN C=CCOCC(=O)NCC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001267509846 1078939332 /nfs/dbraw/zinc/93/93/32/1078939332.db2.gz XPHOOQJCKOGMTQ-OAHLLOKOSA-N 0 3 320.408 2.357 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNCc2ccn(C)n2)C1 ZINC001272554217 1078960127 /nfs/dbraw/zinc/96/01/27/1078960127.db2.gz DADSATUEPIKWHT-MAUKXSAKSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCCN[C@H](CNC(=O)Cc1cnccc1C)c1ccccc1 ZINC001267520893 1078951159 /nfs/dbraw/zinc/95/11/59/1078951159.db2.gz OHXVQAQESXTXNX-LJQANCHMSA-N 0 3 321.424 2.403 20 30 DEEDHN C=C(C)CN1C[C@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC001272594216 1078995892 /nfs/dbraw/zinc/99/58/92/1078995892.db2.gz QOBMHAANCZZBNB-LJQANCHMSA-N 0 3 314.429 2.314 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001267560316 1078992996 /nfs/dbraw/zinc/99/29/96/1078992996.db2.gz FPOHTAOOQYFTSM-QGZVFWFLSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)OCC2CC2)C1 ZINC001486457111 1085339300 /nfs/dbraw/zinc/33/93/00/1085339300.db2.gz JAGVHQVMGYRCTK-LMWSTFAQSA-N 0 3 300.830 2.133 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC001272646048 1079039693 /nfs/dbraw/zinc/03/96/93/1079039693.db2.gz JSKUXALIDZGMOG-QGZVFWFLSA-N 0 3 309.413 2.463 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001481033758 1079099169 /nfs/dbraw/zinc/09/91/69/1079099169.db2.gz WTURAFDMIIPFTI-KBXCAEBGSA-N 0 3 311.429 2.416 20 30 DEEDHN CC#CCNC1(CNC(=O)C(C)(C)c2cccc(OC)c2)CC1 ZINC001483780829 1079117554 /nfs/dbraw/zinc/11/75/54/1079117554.db2.gz BWXFTCOZJZJWQT-UHFFFAOYSA-N 0 3 314.429 2.235 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001481059981 1079139702 /nfs/dbraw/zinc/13/97/02/1079139702.db2.gz XDXCCFXOYZKPNM-ARFHVFGLSA-N 0 3 318.417 2.166 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ocnc2C)C[C@H]1C ZINC001483906359 1079188868 /nfs/dbraw/zinc/18/88/68/1079188868.db2.gz SUADBENYHNMZGG-HIFRSBDPSA-N 0 3 303.406 2.256 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCCc2ccc(F)cc2)C1 ZINC001481112970 1079196967 /nfs/dbraw/zinc/19/69/67/1079196967.db2.gz UVDXLOOWNNGPLM-INIZCTEOSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](CC)Oc2ccccc2F)C1 ZINC001481119669 1079214264 /nfs/dbraw/zinc/21/42/64/1079214264.db2.gz ZCTCLCFFAHZGFD-HOCLYGCPSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cc(F)cc(Br)c1 ZINC001252450742 1093555884 /nfs/dbraw/zinc/55/58/84/1093555884.db2.gz HBXKWRLOWVLVQV-CYBMUJFWSA-N 0 3 318.186 2.241 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1ccc(C)c(OC)c1 ZINC001481142226 1079251144 /nfs/dbraw/zinc/25/11/44/1079251144.db2.gz XKHHNYAREXCYHP-UHFFFAOYSA-N 0 3 316.445 2.398 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001484047021 1079271792 /nfs/dbraw/zinc/27/17/92/1079271792.db2.gz DIHUHIZFEIIXSA-GOSISDBHSA-N 0 3 318.417 2.013 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@]2(C)CCN(CCC#C)C2)cc1 ZINC001484043310 1079268405 /nfs/dbraw/zinc/26/84/05/1079268405.db2.gz JUUOEMDXQVSLNQ-HXUWFJFHSA-N 0 3 324.424 2.306 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001646796571 1074622958 /nfs/dbraw/zinc/62/29/58/1074622958.db2.gz BOBAVTYSKLONAX-KXUCPTDWSA-N 0 3 314.735 2.073 20 30 DEEDHN Cc1ccc(CN(C)[C@H](C)CNC(=O)CSCC#N)cc1F ZINC001329385257 1148889528 /nfs/dbraw/zinc/88/95/28/1148889528.db2.gz FWBQDVNEUZSJSB-CYBMUJFWSA-N 0 3 323.437 2.327 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CCc2cncc(C)c2)CC1 ZINC001484138353 1079318484 /nfs/dbraw/zinc/31/84/84/1079318484.db2.gz YECIEQVHUAZIRW-UHFFFAOYSA-N 0 3 313.445 2.174 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)cc2nccnc21 ZINC001556466029 1075031910 /nfs/dbraw/zinc/03/19/10/1075031910.db2.gz GYTIOKNVFULLBT-UHFFFAOYSA-N 0 3 316.380 2.349 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c[nH]nc1-c1ccccn1 ZINC001556466589 1075032222 /nfs/dbraw/zinc/03/22/22/1075032222.db2.gz FPXCJPNKYRTOSR-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](O)c1ccccc1Cl ZINC001556465976 1075032776 /nfs/dbraw/zinc/03/27/76/1075032776.db2.gz FGZJEIZRIJRDPW-OAHLLOKOSA-N 0 3 310.825 2.340 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](CC)[C@@H]2C)c1 ZINC001559770154 1075128546 /nfs/dbraw/zinc/12/85/46/1075128546.db2.gz ZINRBCJEJNZRKF-DZGCQCFKSA-N 0 3 313.401 2.436 20 30 DEEDHN C#C[C@@H](CO)NC1CC(c2ccc(Br)cc2F)C1 ZINC001560951979 1075148416 /nfs/dbraw/zinc/14/84/16/1075148416.db2.gz WUEYWGANMJIYLD-ZYXZCXLHSA-N 0 3 312.182 2.418 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)CCCc2ccc(C)cc2)C1 ZINC001484233800 1079363299 /nfs/dbraw/zinc/36/32/99/1079363299.db2.gz MZBRZEQGDVUTDQ-LJQANCHMSA-N 0 3 316.445 2.057 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)[C@H]1CC ZINC001566025283 1075218061 /nfs/dbraw/zinc/21/80/61/1075218061.db2.gz JJUYXWGEUUWHBG-TUAOUCFPSA-N 0 3 308.344 2.109 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)c1ccoc1 ZINC001565837366 1075194413 /nfs/dbraw/zinc/19/44/13/1075194413.db2.gz DELOZEMYLIUDQR-MAEOIBBWSA-N 0 3 308.381 2.429 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001565849687 1075196834 /nfs/dbraw/zinc/19/68/34/1075196834.db2.gz MIQIWHPECJETST-OAGGEKHMSA-N 0 3 314.433 2.216 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCOC(C)C)C(C)(C)[C@H]21 ZINC001565992709 1075214015 /nfs/dbraw/zinc/21/40/15/1075214015.db2.gz KWESUJFNOBCHDI-NXHRZFHOSA-N 0 3 320.477 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Oc2ccccn2)[C@H]1CC ZINC001566025213 1075217893 /nfs/dbraw/zinc/21/78/93/1075217893.db2.gz IBDWGTMMPWNMNT-OWCLPIDISA-N 0 3 317.433 2.394 20 30 DEEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)C1CC1)C2 ZINC001566124695 1075233145 /nfs/dbraw/zinc/23/31/45/1075233145.db2.gz FAKYMNIGFAZHOE-UHFFFAOYSA-N 0 3 305.447 2.494 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccnc(F)c2)cc1 ZINC001272681736 1079377704 /nfs/dbraw/zinc/37/77/04/1079377704.db2.gz AGZPQHVHYARUNZ-CYBMUJFWSA-N 0 3 311.360 2.435 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001566453575 1075248437 /nfs/dbraw/zinc/24/84/37/1075248437.db2.gz PJAYDVRWWFPTAK-LSDHHAIUSA-N 0 3 320.408 2.363 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C(C)(C)CC(F)(F)F ZINC001566506425 1075264429 /nfs/dbraw/zinc/26/44/29/1075264429.db2.gz OKVGUGRYUCHGBS-UHFFFAOYSA-N 0 3 322.371 2.053 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc(NC(C)=O)c1C ZINC001566508941 1075265114 /nfs/dbraw/zinc/26/51/14/1075265114.db2.gz WCIIAYLTTHGRJI-UHFFFAOYSA-N 0 3 315.417 2.028 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnn(CCC)c1C1CC1 ZINC001566508026 1075265200 /nfs/dbraw/zinc/26/52/00/1075265200.db2.gz OUBJESWERVANCE-UHFFFAOYSA-N 0 3 316.449 2.246 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccccn1 ZINC001566524544 1075268930 /nfs/dbraw/zinc/26/89/30/1075268930.db2.gz DEHHHQPVVNIGFO-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C[C@H](F)CCN1CC(CNC(=O)CC#Cc2ccccc2)C1 ZINC001267699322 1079387309 /nfs/dbraw/zinc/38/73/09/1079387309.db2.gz QZWXASWXBFNMOV-HNNXBMFYSA-N 0 3 302.393 2.224 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC12CCN(Cc1cnn(C)c1)CC2 ZINC001566688839 1075318876 /nfs/dbraw/zinc/31/88/76/1075318876.db2.gz BEPVGWRXQRCOQB-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](N[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001566712106 1075324200 /nfs/dbraw/zinc/32/42/00/1075324200.db2.gz BPJGVCSXWCZBOV-BXUZGUMPSA-N 0 3 319.453 2.261 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)COC)C1 ZINC001566827909 1075354690 /nfs/dbraw/zinc/35/46/90/1075354690.db2.gz VQLYRHGMMSBRPO-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2n1 ZINC001267709246 1079395724 /nfs/dbraw/zinc/39/57/24/1079395724.db2.gz QCGURHVAUVVBQU-GJZGRUSLSA-N 0 3 310.401 2.428 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1CCc1cnn(C)c1 ZINC001566923869 1075387793 /nfs/dbraw/zinc/38/77/93/1075387793.db2.gz BMTFIPZOGROPTH-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CCC1CCCCCC1 ZINC001567035131 1075420429 /nfs/dbraw/zinc/42/04/29/1075420429.db2.gz BBPAYWWCYKFMLJ-MRXNPFEDSA-N 0 3 308.466 2.481 20 30 DEEDHN Cc1nc(CNC[C@H]2CCN(C(=O)C#CC(C)C)C2)c(C)s1 ZINC001567122924 1075436364 /nfs/dbraw/zinc/43/63/64/1075436364.db2.gz DXCAKHWDXUYDNE-OAHLLOKOSA-N 0 3 319.474 2.357 20 30 DEEDHN Cc1cccnc1[C@@H](C)NC[C@H](O)CC1(C#N)CCOCC1 ZINC001650156809 1079426348 /nfs/dbraw/zinc/42/63/48/1079426348.db2.gz UKHRNBHSNGKVGY-HUUCEWRRSA-N 0 3 303.406 2.112 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC001267740978 1079436286 /nfs/dbraw/zinc/43/62/86/1079436286.db2.gz CJVWRAJAJREEQP-QGZVFWFLSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)NCc1cc(C)sc1C ZINC001283792694 1079453846 /nfs/dbraw/zinc/45/38/46/1079453846.db2.gz NUIBSDRTZDTUOB-CQSZACIVSA-N 0 3 310.463 2.144 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(CCOCC)CCC2)C1 ZINC001267764628 1079468094 /nfs/dbraw/zinc/46/80/94/1079468094.db2.gz WUXFDIFGFMFNBG-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001267772040 1079479634 /nfs/dbraw/zinc/47/96/34/1079479634.db2.gz RVRBIBKUFPLHDY-OLZOCXBDSA-N 0 3 322.371 2.310 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001580416926 1075918456 /nfs/dbraw/zinc/91/84/56/1075918456.db2.gz LHJKPNQHQKURLH-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC1(CC(=O)N(CC)[C@@H]2CCN(CCO)C2)CCCCC1 ZINC001267791895 1079498453 /nfs/dbraw/zinc/49/84/53/1079498453.db2.gz YFMFPORFFZNCOJ-MRXNPFEDSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCCC(=O)NC[C@H](CC)N[C@H](C)C(=O)N1CCCCCC1 ZINC001267799419 1079502869 /nfs/dbraw/zinc/50/28/69/1079502869.db2.gz XKWVKYDRRPRGNX-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CC[C@H]([NH2+]Cc1ccncc1-c1nnn[n-]1)c1ccccc1 ZINC001588334305 1076442047 /nfs/dbraw/zinc/44/20/47/1076442047.db2.gz SNZMDAQEHCIEMC-INIZCTEOSA-N 0 3 304.357 2.116 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588725850 1076461534 /nfs/dbraw/zinc/46/15/34/1076461534.db2.gz NAADMBHHVFELNL-GMXABZIVSA-N 0 3 317.368 2.248 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588725850 1076461536 /nfs/dbraw/zinc/46/15/36/1076461536.db2.gz NAADMBHHVFELNL-GMXABZIVSA-N 0 3 317.368 2.248 20 30 DEEDHN CCC[N@@H+]1CCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590635008 1076662393 /nfs/dbraw/zinc/66/23/93/1076662393.db2.gz FHDOMJZVBUIXGV-ZDUSSCGKSA-N 0 3 311.393 2.025 20 30 DEEDHN CCC[N@H+]1CCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590635008 1076662395 /nfs/dbraw/zinc/66/23/95/1076662395.db2.gz FHDOMJZVBUIXGV-ZDUSSCGKSA-N 0 3 311.393 2.025 20 30 DEEDHN CCC[N@@H+]1CCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590635008 1076662398 /nfs/dbraw/zinc/66/23/98/1076662398.db2.gz FHDOMJZVBUIXGV-ZDUSSCGKSA-N 0 3 311.393 2.025 20 30 DEEDHN CCC[N@H+]1CCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590635008 1076662400 /nfs/dbraw/zinc/66/24/00/1076662400.db2.gz FHDOMJZVBUIXGV-ZDUSSCGKSA-N 0 3 311.393 2.025 20 30 DEEDHN C=C(CN(C)C)C(=O)N(OC)[C@H]1CCCOc2ccccc21 ZINC001597039849 1077087198 /nfs/dbraw/zinc/08/71/98/1077087198.db2.gz BDOSZUOCMBTAJG-HNNXBMFYSA-N 0 3 304.390 2.408 20 30 DEEDHN C=C(CN(C)C)C(=O)N(OC)[C@@H]1CCCOc2ccccc21 ZINC001597039852 1077087685 /nfs/dbraw/zinc/08/76/85/1077087685.db2.gz BDOSZUOCMBTAJG-OAHLLOKOSA-N 0 3 304.390 2.408 20 30 DEEDHN C=CCCC[C@H](C)[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001609053644 1077750384 /nfs/dbraw/zinc/75/03/84/1077750384.db2.gz OSAJYKPMHYAUCZ-LBPRGKRZSA-N 0 3 311.393 2.349 20 30 DEEDHN C=CCCC[C@H](C)[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001609053644 1077750388 /nfs/dbraw/zinc/75/03/88/1077750388.db2.gz OSAJYKPMHYAUCZ-LBPRGKRZSA-N 0 3 311.393 2.349 20 30 DEEDHN N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001609494447 1077870423 /nfs/dbraw/zinc/87/04/23/1077870423.db2.gz DTIGNDNXQUXYTA-ZYHUDNBSSA-N 0 3 300.341 2.178 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2n[nH]c(C)n2)CCCC1 ZINC001267829855 1079519933 /nfs/dbraw/zinc/51/99/33/1079519933.db2.gz FAGPYZOTNHHIQB-CQSZACIVSA-N 0 3 319.453 2.234 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC(F)(F)F)C[C@@H]2C1 ZINC001484411270 1079597236 /nfs/dbraw/zinc/59/72/36/1079597236.db2.gz FPHAVKKCLLMJSC-BETUJISGSA-N 0 3 302.340 2.133 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc3occc3[nH]2)cc1 ZINC001267938247 1079618804 /nfs/dbraw/zinc/61/88/04/1079618804.db2.gz PMDQFECGFWSRAZ-UHFFFAOYSA-N 0 3 307.353 2.414 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)N(CC)CC ZINC001267957389 1079638884 /nfs/dbraw/zinc/63/88/84/1079638884.db2.gz XDHLPYFOHZIMGK-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)n2cccn2)cc1 ZINC001484560657 1079660730 /nfs/dbraw/zinc/66/07/30/1079660730.db2.gz RBCBGFUKJHSGAM-JKSUJKDBSA-N 0 3 324.428 2.434 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N[C@H](C)CC ZINC001484616165 1079688422 /nfs/dbraw/zinc/68/84/22/1079688422.db2.gz XOJICPFHJKYTBV-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3sccc3Cl)C2)C1=O ZINC001272686468 1079692316 /nfs/dbraw/zinc/69/23/16/1079692316.db2.gz FFZKYFKXOYSHLD-OAHLLOKOSA-N 0 3 308.834 2.459 20 30 DEEDHN C#CCNC1(CNC(=O)CCOc2ccc(C)c(C)c2)CCC1 ZINC001484636516 1079695109 /nfs/dbraw/zinc/69/51/09/1079695109.db2.gz FBMHSZRDKTXZJF-UHFFFAOYSA-N 0 3 314.429 2.334 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(N(C)C)cc2F)CCC1 ZINC001484637400 1079705484 /nfs/dbraw/zinc/70/54/84/1079705484.db2.gz BXJXUANCYNDEDX-UHFFFAOYSA-N 0 3 317.408 2.157 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3c(s2)CCC3)C1 ZINC001284025438 1079712683 /nfs/dbraw/zinc/71/26/83/1079712683.db2.gz KLUASXDDNOWKDF-OCCSQVGLSA-N 0 3 302.443 2.453 20 30 DEEDHN COCC#CCNCCN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001481317993 1079714734 /nfs/dbraw/zinc/71/47/34/1079714734.db2.gz PIERYRKXVNHWTP-OAHLLOKOSA-N 0 3 320.408 2.017 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(Cl)nc1 ZINC001484735942 1079768892 /nfs/dbraw/zinc/76/88/92/1079768892.db2.gz FKCWGZFKIHILKN-LBPRGKRZSA-N 0 3 308.813 2.175 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cccc(-c2cnco2)c1 ZINC001484763415 1079775062 /nfs/dbraw/zinc/77/50/62/1079775062.db2.gz LLPJEKPTDOLUCU-UHFFFAOYSA-N 0 3 311.385 2.369 20 30 DEEDHN C=CCN1CC[C@H](N(CCC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001481404057 1079793823 /nfs/dbraw/zinc/79/38/23/1079793823.db2.gz JBXIDZIUPHFJTG-HNNXBMFYSA-N 0 3 304.438 2.475 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481446010 1079862561 /nfs/dbraw/zinc/86/25/61/1079862561.db2.gz JKTXAAMHAYRRAQ-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1cc(OC)ccn1 ZINC001484996744 1079905052 /nfs/dbraw/zinc/90/50/52/1079905052.db2.gz LOCGAXWZSGITBW-ZDUSSCGKSA-N 0 3 305.422 2.287 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ccn(CC)n1 ZINC001484996836 1079905467 /nfs/dbraw/zinc/90/54/67/1079905467.db2.gz VIDLGCQXHGGNTN-AWEZNQCLSA-N 0 3 306.454 2.490 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1cc(C)n(C)n1 ZINC001484998691 1079906549 /nfs/dbraw/zinc/90/65/49/1079906549.db2.gz WKMSYNHEZAJTRG-GUYCJALGSA-N 0 3 306.454 2.315 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC001268042332 1079913895 /nfs/dbraw/zinc/91/38/95/1079913895.db2.gz PCWWFBCVXQHMFW-UHFFFAOYSA-N 0 3 304.390 2.020 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001485020386 1079919728 /nfs/dbraw/zinc/91/97/28/1079919728.db2.gz SHBWTKFJGHFYPZ-QGZVFWFLSA-N 0 3 318.461 2.089 20 30 DEEDHN CCCCNC(=O)OC[C@H]1CCCCN1CCOCCC#N ZINC001653580264 1079934206 /nfs/dbraw/zinc/93/42/06/1079934206.db2.gz ACXGXEHGKULGNA-OAHLLOKOSA-N 0 3 311.426 2.297 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)CC2CC2)C1 ZINC001485085565 1079965645 /nfs/dbraw/zinc/96/56/45/1079965645.db2.gz WOOHJCGYBRDCHH-UHFFFAOYSA-N 0 3 301.228 2.180 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)CCO[C@@H]1CC1(F)F ZINC001485051436 1079938888 /nfs/dbraw/zinc/93/88/88/1079938888.db2.gz WHNKYGWMEVTXNU-UONOGXRCSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1cc[nH]c1C ZINC001485053419 1079941576 /nfs/dbraw/zinc/94/15/76/1079941576.db2.gz BDIWJJDFDFHZDN-HNNXBMFYSA-N 0 3 305.422 2.062 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@H]2CN(C)CCO)CCCCC1 ZINC001485078460 1079963264 /nfs/dbraw/zinc/96/32/64/1079963264.db2.gz GCWHFUOWNGDCOG-INIZCTEOSA-N 0 3 308.466 2.428 20 30 DEEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001268060617 1079996904 /nfs/dbraw/zinc/99/69/04/1079996904.db2.gz WICTYZYGZNOFAY-OAHLLOKOSA-N 0 3 318.465 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001481526414 1080000639 /nfs/dbraw/zinc/00/06/39/1080000639.db2.gz ZYWYJCPPLBTOHJ-XJKSGUPXSA-N 0 3 316.449 2.124 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001656080236 1080035905 /nfs/dbraw/zinc/03/59/05/1080035905.db2.gz BIQIPDGMUZLONK-CQSZACIVSA-N 0 3 322.453 2.242 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccnc1OC ZINC001656088707 1080038982 /nfs/dbraw/zinc/03/89/82/1080038982.db2.gz NQEJRPIGBJBVPA-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001656089514 1080039757 /nfs/dbraw/zinc/03/97/57/1080039757.db2.gz UYRWSKLPHLXAQE-QAPCUYQASA-N 0 3 323.481 2.158 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(CCC)nn1 ZINC001656102531 1080044226 /nfs/dbraw/zinc/04/42/26/1080044226.db2.gz LPLZDGHGRAJTCF-CABCVRRESA-N 0 3 319.453 2.189 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001485189073 1080053244 /nfs/dbraw/zinc/05/32/44/1080053244.db2.gz NBOOMOFYJVZJKK-KGLIPLIRSA-N 0 3 311.385 2.131 20 30 DEEDHN Cc1nocc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001485189079 1080054054 /nfs/dbraw/zinc/05/40/54/1080054054.db2.gz NBOOMOFYJVZJKK-ZIAGYGMSSA-N 0 3 311.385 2.131 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NCc3nccnc3C)C2)C1 ZINC001656222542 1080068569 /nfs/dbraw/zinc/06/85/69/1080068569.db2.gz RCDDKTDRXHGWOR-SHTZXODSSA-N 0 3 314.433 2.126 20 30 DEEDHN Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)C#CC(C)C)C2)s1 ZINC001656288542 1080075857 /nfs/dbraw/zinc/07/58/57/1080075857.db2.gz PDAYMELYDSOOTO-LSDHHAIUSA-N 0 3 319.474 2.485 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CC(C)(C)CNCc1ccncc1Cl ZINC001485246640 1080094631 /nfs/dbraw/zinc/09/46/31/1080094631.db2.gz FJOURFWVCJSSEV-GFCCVEGCSA-N 0 3 322.840 2.469 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCCC[C@H](NCC(=O)N(C)C)C1 ZINC001656898502 1080136255 /nfs/dbraw/zinc/13/62/55/1080136255.db2.gz DAPZYGIKJKDVKT-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)CCOc1cccc(F)c1 ZINC001485304605 1080141390 /nfs/dbraw/zinc/14/13/90/1080141390.db2.gz SAGJIVUFWZAGHT-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN CCc1ccccc1CN1CC(CNC(=O)CSCC#N)C1 ZINC001481613826 1080141972 /nfs/dbraw/zinc/14/19/72/1080141972.db2.gz XUPWESMEICMCOK-UHFFFAOYSA-N 0 3 317.458 2.054 20 30 DEEDHN C=CCCCCCN1CC[C@@]2(C1)CN([C@@H](C)C(C)=O)C(=O)CO2 ZINC001272699437 1080178022 /nfs/dbraw/zinc/17/80/22/1080178022.db2.gz JJKBUXSZMYPRHN-MAUKXSAKSA-N 0 3 322.449 2.014 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](NCc1cc(C)ncn1)C(C)C ZINC001268217611 1080201704 /nfs/dbraw/zinc/20/17/04/1080201704.db2.gz ATFIPDOJHLQLEB-QGZVFWFLSA-N 0 3 316.449 2.209 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1nn(C)c2ccccc12 ZINC001268237721 1080218800 /nfs/dbraw/zinc/21/88/00/1080218800.db2.gz SVUXMIQISQFACM-UHFFFAOYSA-N 0 3 314.433 2.082 20 30 DEEDHN N#Cc1cccnc1NCCNCc1cnc2ccccc2n1 ZINC001659140294 1080231782 /nfs/dbraw/zinc/23/17/82/1080231782.db2.gz ZCHDPTLVBKHZIT-UHFFFAOYSA-N 0 3 304.357 2.098 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)COc2ccccc2OC)C1 ZINC001485535952 1080290937 /nfs/dbraw/zinc/29/09/37/1080290937.db2.gz OYTBDNHYOBNQMX-CQSZACIVSA-N 0 3 318.417 2.087 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2C1 ZINC001485606607 1080329404 /nfs/dbraw/zinc/32/94/04/1080329404.db2.gz JPXKEPRKQMWNNO-NNZMDNLPSA-N 0 3 308.425 2.036 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cncn1C ZINC001660433537 1080331633 /nfs/dbraw/zinc/33/16/33/1080331633.db2.gz UIWJOCAVCXERIU-GOEBONIOSA-N 0 3 304.438 2.246 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001485680337 1080364373 /nfs/dbraw/zinc/36/43/73/1080364373.db2.gz LPFBMCABJJQYPO-IHRRRGAJSA-N 0 3 300.830 2.040 20 30 DEEDHN COCC#CCN(CCCNC(=O)C[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC001660716325 1080385271 /nfs/dbraw/zinc/38/52/71/1080385271.db2.gz SLRDVOWPTGMETI-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCNCc1cccc(F)c1F ZINC001485714994 1080385813 /nfs/dbraw/zinc/38/58/13/1080385813.db2.gz QOUBUKIAMAEWJF-NEPJUHHUSA-N 0 3 309.360 2.499 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C[C@@H](C)SC)CC1 ZINC001660769096 1080394968 /nfs/dbraw/zinc/39/49/68/1080394968.db2.gz WPGHSJIKUVVDMK-CQSZACIVSA-N 0 3 314.495 2.253 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2cncn2C)CC1 ZINC001661096727 1080441611 /nfs/dbraw/zinc/44/16/11/1080441611.db2.gz BEHUGJNWZDHMPY-UHFFFAOYSA-N 0 3 318.465 2.242 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CN(C)Cc2ocnc2C)C1 ZINC001661206590 1080455667 /nfs/dbraw/zinc/45/56/67/1080455667.db2.gz HREHBNWBHIVMRY-INIZCTEOSA-N 0 3 317.433 2.457 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H](CNCc2ccccc2F)C1 ZINC001280569447 1080467442 /nfs/dbraw/zinc/46/74/42/1080467442.db2.gz ZPTFDXPQYPVGNZ-OAHLLOKOSA-N 0 3 306.381 2.109 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001661303886 1080468723 /nfs/dbraw/zinc/46/87/23/1080468723.db2.gz CXUKCHDOBGGXTN-AWEZNQCLSA-N 0 3 305.809 2.229 20 30 DEEDHN CC(C)OCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661391295 1080476396 /nfs/dbraw/zinc/47/63/96/1080476396.db2.gz FEZVCBOKEJMQSX-IYARVYRRSA-N 0 3 314.429 2.090 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2cncc(C)c2)C1 ZINC001481769756 1080487201 /nfs/dbraw/zinc/48/72/01/1080487201.db2.gz CZFWIUCOBYAONB-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN CCCCC(=O)N1CCC[C@H]2CN(CC#CCOC)CC[C@@H]21 ZINC001661548188 1080492698 /nfs/dbraw/zinc/49/26/98/1080492698.db2.gz HKVXYGOTIMZULQ-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001481777912 1080494171 /nfs/dbraw/zinc/49/41/71/1080494171.db2.gz KEGCLDVXSQKMKD-CVEARBPZSA-N 0 3 317.433 2.348 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001661605342 1080498372 /nfs/dbraw/zinc/49/83/72/1080498372.db2.gz PWFYFROFRDDBMZ-GASCZTMLSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001661649718 1080503301 /nfs/dbraw/zinc/50/33/01/1080503301.db2.gz LHZQNUZLKLFJAD-QWQRMKEZSA-N 0 3 317.433 2.429 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001661649716 1080503830 /nfs/dbraw/zinc/50/38/30/1080503830.db2.gz LHZQNUZLKLFJAD-IYOUNJFTSA-N 0 3 317.433 2.429 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001661856364 1080533545 /nfs/dbraw/zinc/53/35/45/1080533545.db2.gz MZQIWTZLLOKBMT-NCOADZHNSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001661866440 1080536833 /nfs/dbraw/zinc/53/68/33/1080536833.db2.gz NHTYJXYSMQUWQW-WBVHZDCISA-N 0 3 318.465 2.374 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001268465503 1080543506 /nfs/dbraw/zinc/54/35/06/1080543506.db2.gz FMBFEQRPQCEDNC-KRWDZBQOSA-N 0 3 302.393 2.317 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cc(C)on2)CCCC1 ZINC001481892469 1080581982 /nfs/dbraw/zinc/58/19/82/1080581982.db2.gz UDMGZPMXACSCKB-UHFFFAOYSA-N 0 3 311.813 2.297 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1ccc(Cl)cc1 ZINC001268492992 1080626761 /nfs/dbraw/zinc/62/67/61/1080626761.db2.gz HRLXQQKHESOMGZ-UHFFFAOYSA-N 0 3 308.809 2.042 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]2(CNCCF)CCCC[C@H]2C)cn1 ZINC001481963141 1080648414 /nfs/dbraw/zinc/64/84/14/1080648414.db2.gz SVMGYAGSIXBXNL-KDOFPFPSSA-N 0 3 317.408 2.301 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccn(CC(C)C)n2)C1 ZINC001662838924 1080666268 /nfs/dbraw/zinc/66/62/68/1080666268.db2.gz LUTUCDPSDDGMAS-INIZCTEOSA-N 0 3 316.449 2.099 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001662862705 1080669779 /nfs/dbraw/zinc/66/97/79/1080669779.db2.gz ODIFXUDYIHGIHT-KRWDZBQOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC001662970686 1080681355 /nfs/dbraw/zinc/68/13/55/1080681355.db2.gz KVXQRCIPCYSOLU-KBXCAEBGSA-N 0 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C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001268731341 1080957120 /nfs/dbraw/zinc/95/71/20/1080957120.db2.gz WICJMRDDQXHUNH-GJZGRUSLSA-N 0 3 320.408 2.109 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1C ZINC001268731344 1080957286 /nfs/dbraw/zinc/95/72/86/1080957286.db2.gz WICJMRDDQXHUNH-LSDHHAIUSA-N 0 3 320.408 2.109 20 30 DEEDHN C=CCCCCCN1CC(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001665157237 1080994887 /nfs/dbraw/zinc/99/48/87/1080994887.db2.gz OEGAPPDXOMVYSL-UHFFFAOYSA-N 0 3 302.422 2.059 20 30 DEEDHN C=CCC[C@H](C)N1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001665200007 1080999689 /nfs/dbraw/zinc/99/96/89/1080999689.db2.gz HUPWDPIBPKHKJU-DOTOQJQBSA-N 0 3 307.482 2.404 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccn2ccnc12 ZINC001268881129 1081031038 /nfs/dbraw/zinc/03/10/38/1081031038.db2.gz NGOWIRGCFHVFMG-UHFFFAOYSA-N 0 3 306.797 2.139 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cnn1C ZINC001268943910 1081053380 /nfs/dbraw/zinc/05/33/80/1081053380.db2.gz 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CC#CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001667647960 1081270165 /nfs/dbraw/zinc/27/01/65/1081270165.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 0 3 315.461 2.093 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC001667713549 1081277422 /nfs/dbraw/zinc/27/74/22/1081277422.db2.gz FITXOVFPNBZXHB-ZIAGYGMSSA-N 0 3 323.462 2.029 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@H](C)C1CC1 ZINC001668015935 1081305979 /nfs/dbraw/zinc/30/59/79/1081305979.db2.gz METBLUVPAJYIMV-WDEREUQCSA-N 0 3 303.244 2.426 20 30 DEEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)[C@H]1C[C@@H]1C ZINC001668173496 1081323153 /nfs/dbraw/zinc/32/31/53/1081323153.db2.gz JDIKDZAYXBWITA-HUBLWGQQSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNCc2cc(C)n(C)n2)CC1 ZINC001668197778 1081326692 /nfs/dbraw/zinc/32/66/92/1081326692.db2.gz QWKBAMFQXLUPMN-CQSZACIVSA-N 0 3 318.465 2.459 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](CNCc1ccns1)C(C)(C)C ZINC001284588076 1081332598 /nfs/dbraw/zinc/33/25/98/1081332598.db2.gz 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C#CCN(C(=O)[C@H]1CCO[C@H]1C)C1CCN(CC=C(C)C)CC1 ZINC001270351791 1081506164 /nfs/dbraw/zinc/50/61/64/1081506164.db2.gz UFESRQJYFFVGCX-WMZOPIPTSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCN(C(=O)[C@@H](CC)CCCC)C1CCN(CCO)CC1 ZINC001671456812 1081517864 /nfs/dbraw/zinc/51/78/64/1081517864.db2.gz VIEBXXXAVFJICR-INIZCTEOSA-N 0 3 308.466 2.121 20 30 DEEDHN C#CCN(C(=O)C[C@@H](C)CCC)C1CCN(CCOC)CC1 ZINC001671460693 1081518164 /nfs/dbraw/zinc/51/81/64/1081518164.db2.gz LASJLRKAZXQSNC-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc(COC)s2)CC1 ZINC001006477234 1081528485 /nfs/dbraw/zinc/52/84/85/1081528485.db2.gz FPXJZQVBPYHFHJ-UHFFFAOYSA-N 0 3 323.462 2.402 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(C)CCN([C@@H](CC)C(N)=O)CC1 ZINC001671846531 1081542488 /nfs/dbraw/zinc/54/24/88/1081542488.db2.gz LCDUFZGTGMCBDE-AWEZNQCLSA-N 0 3 323.481 2.071 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C2CC3(C2)CCOCC3)CC1 ZINC001671863028 1081544454 /nfs/dbraw/zinc/54/44/54/1081544454.db2.gz 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1081724476 /nfs/dbraw/zinc/72/44/76/1081724476.db2.gz JDKOEVGNKDFXAN-KBXCAEBGSA-N 0 3 318.392 2.105 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(F)cn2)cc1 ZINC001672937133 1081724497 /nfs/dbraw/zinc/72/44/97/1081724497.db2.gz HQXVBOMQVUTMOX-ZDUSSCGKSA-N 0 3 311.360 2.435 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2cccnc2)cc1 ZINC001672936904 1081724647 /nfs/dbraw/zinc/72/46/47/1081724647.db2.gz FIEIBUPQWMZFCV-HNNXBMFYSA-N 0 3 307.397 2.224 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CNCc1cncc(C)c1 ZINC001673092453 1081738692 /nfs/dbraw/zinc/73/86/92/1081738692.db2.gz WLJGLOVTLLHMNV-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1(CCF)CC1)CC2 ZINC001270851225 1081744128 /nfs/dbraw/zinc/74/41/28/1081744128.db2.gz KCESSCRUSRVQDG-UHFFFAOYSA-N 0 3 324.440 2.253 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)c2cc(C)oc2C)CC1 ZINC001673357914 1081758433 /nfs/dbraw/zinc/75/84/33/1081758433.db2.gz RIFUTQYDPAYHAU-MRXNPFEDSA-N 0 3 318.417 2.131 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001673387633 1081765290 /nfs/dbraw/zinc/76/52/90/1081765290.db2.gz SYTKPMWZQCEVDE-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001673446142 1081771498 /nfs/dbraw/zinc/77/14/98/1081771498.db2.gz SDKBSMKOTLZFOY-UHFFFAOYSA-N 0 3 312.417 2.060 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001673496646 1081776804 /nfs/dbraw/zinc/77/68/04/1081776804.db2.gz POSDCRAKSZRIMX-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN CC(C)C[C@@H](CNCc1cncc(F)c1)NC(=O)[C@@H](C)C#N ZINC001482378690 1081776879 /nfs/dbraw/zinc/77/68/79/1081776879.db2.gz CLUNGGJCSYHBRJ-WFASDCNBSA-N 0 3 306.385 2.001 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1(COCC)CC1)C2 ZINC001673646115 1081789023 /nfs/dbraw/zinc/78/90/23/1081789023.db2.gz RWIZGESRHLBZEJ-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C(CCC)CCC)C1 ZINC001673689691 1081792583 /nfs/dbraw/zinc/79/25/83/1081792583.db2.gz 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1081860742 /nfs/dbraw/zinc/86/07/42/1081860742.db2.gz AVTIJDPAFZJUFC-CUSZFKRNSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cnc(OC)nc1C ZINC001270978113 1081862915 /nfs/dbraw/zinc/86/29/15/1081862915.db2.gz YEGBHKFZWSMSMX-ZDUSSCGKSA-N 0 3 320.437 2.086 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC1CCCC1 ZINC001270978104 1081862935 /nfs/dbraw/zinc/86/29/35/1081862935.db2.gz YCLFCRGCPMUSPC-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccccn2)C1 ZINC001270982654 1081863471 /nfs/dbraw/zinc/86/34/71/1081863471.db2.gz JVUZOMMFHGSSND-GOSISDBHSA-N 0 3 301.434 2.419 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001270983575 1081864979 /nfs/dbraw/zinc/86/49/79/1081864979.db2.gz RCIDZNGTOONOMW-KRWDZBQOSA-N 0 3 304.438 2.380 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001270998820 1081869773 /nfs/dbraw/zinc/86/97/73/1081869773.db2.gz JEGNOPDXPNNTHY-SFHVURJKSA-N 0 3 317.433 2.368 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccco1 ZINC001674434417 1081870050 /nfs/dbraw/zinc/87/00/50/1081870050.db2.gz AOKAOCZCCUIZKG-QWGSZXSUSA-N 0 3 318.417 2.418 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@H](C)O ZINC001674429363 1081870184 /nfs/dbraw/zinc/87/01/84/1081870184.db2.gz GCIFBSJFAUPWEV-IAOVAPTHSA-N 0 3 316.445 2.341 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1ccccc1OC ZINC001674495202 1081882024 /nfs/dbraw/zinc/88/20/24/1081882024.db2.gz CVVYVBPAYMKVKA-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CC(CNCc2cc(OC)no2)C1 ZINC001674578917 1081891499 /nfs/dbraw/zinc/89/14/99/1081891499.db2.gz OVYSKXIUJZYTCT-QWQCLYJRSA-N 0 3 321.421 2.270 20 30 DEEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCC[C@@H](C)C1 ZINC001271081282 1081899768 /nfs/dbraw/zinc/89/97/68/1081899768.db2.gz CCQLFWFNUZEBHF-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)Cc2occc2C)C1 ZINC001271100933 1081910009 /nfs/dbraw/zinc/91/00/09/1081910009.db2.gz OZJDIXMNZRZWAU-CQSZACIVSA-N 0 3 324.371 2.227 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccnc(OC)c1 ZINC001674715544 1081911036 /nfs/dbraw/zinc/91/10/36/1081911036.db2.gz ICMBONIKKDVCIW-LSDHHAIUSA-N 0 3 317.433 2.267 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC001266280782 1081937968 /nfs/dbraw/zinc/93/79/68/1081937968.db2.gz SRKIOOBATLKVSP-UHFFFAOYSA-N 0 3 307.397 2.434 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001266319999 1081969089 /nfs/dbraw/zinc/96/90/89/1081969089.db2.gz WVZADAXTKDJVCZ-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001266336684 1081980728 /nfs/dbraw/zinc/98/07/28/1081980728.db2.gz UKFWLRVPMNAXOK-GDBMZVCRSA-N 0 3 300.418 2.276 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC001649249577 1081993493 /nfs/dbraw/zinc/99/34/93/1081993493.db2.gz RVBSGGSMZVAOST-DZGCQCFKSA-N 0 3 324.384 2.288 20 30 DEEDHN C=CCCC(=O)N[C@H](CNCc1n[nH]c(C)n1)C1CCCCC1 ZINC001271325035 1082011970 /nfs/dbraw/zinc/01/19/70/1082011970.db2.gz AKWVJNILECOGBH-OAHLLOKOSA-N 0 3 319.453 2.234 20 30 DEEDHN C=CCCC(=O)N[C@@H](CNCc1n[nH]c(C)n1)C1CCCCC1 ZINC001271325034 1082012354 /nfs/dbraw/zinc/01/23/54/1082012354.db2.gz AKWVJNILECOGBH-HNNXBMFYSA-N 0 3 319.453 2.234 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001266423746 1082031735 /nfs/dbraw/zinc/03/17/35/1082031735.db2.gz IWHXNAHMNDDVED-SMDDNHRTSA-N 0 3 319.453 2.261 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCc3ccccc3C)C[C@@H]2C1 ZINC001088120158 1082038450 /nfs/dbraw/zinc/03/84/50/1082038450.db2.gz PFNWLOSPWJLBJV-MOPGFXCFSA-N 0 3 310.441 2.341 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(OC)cc1C ZINC001266464613 1082052981 /nfs/dbraw/zinc/05/29/81/1082052981.db2.gz DWWAWRAAHOYKRP-INIZCTEOSA-N 0 3 302.418 2.313 20 30 DEEDHN Cc1cnc(CNCC[C@H]2CCCCN2C(=O)[C@@H](C)C#N)s1 ZINC001271506288 1082068964 /nfs/dbraw/zinc/06/89/64/1082068964.db2.gz XOFYROUPMORDNX-GXTWGEPZSA-N 0 3 320.462 2.472 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1ccccc1CC ZINC001266491712 1082071840 /nfs/dbraw/zinc/07/18/40/1082071840.db2.gz ABWAUKVOOBFIIV-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1ccccc1CC ZINC001266491713 1082072648 /nfs/dbraw/zinc/07/26/48/1082072648.db2.gz ABWAUKVOOBFIIV-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1ccc(C)s1 ZINC001266495402 1082074250 /nfs/dbraw/zinc/07/42/50/1082074250.db2.gz MCVWSPIGORMDTE-HNNXBMFYSA-N 0 3 322.474 2.382 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCOCC2 ZINC001266502026 1082080579 /nfs/dbraw/zinc/08/05/79/1082080579.db2.gz SSWDWJJTGNIYFL-IXDOHACOSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001271565049 1082083064 /nfs/dbraw/zinc/08/30/64/1082083064.db2.gz ABTLTUGNBCYSII-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2c(C)cccc2Cl)C1 ZINC001266520498 1082100818 /nfs/dbraw/zinc/10/08/18/1082100818.db2.gz OEZUWEOLFLKTMI-CQSZACIVSA-N 0 3 304.821 2.262 20 30 DEEDHN C#CCN(C(=O)Cc1cc(C)on1)C1CCN(CC(=C)C)CC1 ZINC001671465313 1082130386 /nfs/dbraw/zinc/13/03/86/1082130386.db2.gz PRIOZZUVCGPVSK-UHFFFAOYSA-N 0 3 315.417 2.028 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001266549595 1082145901 /nfs/dbraw/zinc/14/59/01/1082145901.db2.gz YQYNEGNNJZBBTL-OAHLLOKOSA-N 0 3 309.413 2.172 20 30 DEEDHN C=CCCC[NH2+]C[C@H](NC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001670475411 1082149484 /nfs/dbraw/zinc/14/94/84/1082149484.db2.gz QQCPMSKWWANQSI-HNNXBMFYSA-N 0 3 313.405 2.022 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1(C(F)F)CC1 ZINC001271806583 1082160559 /nfs/dbraw/zinc/16/05/59/1082160559.db2.gz PCMYAQLJNQWIGJ-UHFFFAOYSA-N 0 3 306.356 2.283 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccncc1C)C(C)C ZINC001482530675 1082164288 /nfs/dbraw/zinc/16/42/88/1082164288.db2.gz DYQXTJLFFQEOCF-OAHLLOKOSA-N 0 3 309.841 2.415 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)OCCCCCC)C[C@@H]2C1 ZINC001271853019 1082172115 /nfs/dbraw/zinc/17/21/15/1082172115.db2.gz DYDBQZGPTCSBFT-OKZBNKHCSA-N 0 3 320.477 2.385 20 30 DEEDHN CO[C@@H](CN1CC[C@@H]1CNC(=O)C#CC(C)(C)C)C1CCCC1 ZINC001670640181 1082202463 /nfs/dbraw/zinc/20/24/63/1082202463.db2.gz BSCFCYUFQBNWPF-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001670650584 1082205385 /nfs/dbraw/zinc/20/53/85/1082205385.db2.gz JKXCNKTYDMFEDE-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)Cc1ccsc1 ZINC001493465656 1082247322 /nfs/dbraw/zinc/24/73/22/1082247322.db2.gz BBTHKWQACZBITK-UHFFFAOYSA-N 0 3 319.455 2.472 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2cccc(F)c2)C1 ZINC001671608466 1082295270 /nfs/dbraw/zinc/29/52/70/1082295270.db2.gz JOXAJHGJKDWEGK-QGZVFWFLSA-N 0 3 306.381 2.223 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)C1(CCF)CC1 ZINC001266788087 1082345285 /nfs/dbraw/zinc/34/52/85/1082345285.db2.gz SWFYBGVLXNNPEU-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001266840444 1082383575 /nfs/dbraw/zinc/38/35/75/1082383575.db2.gz UJLDGAKJZLAVNS-MRXNPFEDSA-N 0 3 319.449 2.120 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCC(=O)NC(C)C ZINC001266877687 1082424206 /nfs/dbraw/zinc/42/42/06/1082424206.db2.gz VNCLIMUYNXJTBO-CRAIPNDOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCC1(C(=O)N(C)CCN(C)[C@H](C)COC)CCCCC1 ZINC001482652753 1082434390 /nfs/dbraw/zinc/43/43/90/1082434390.db2.gz CODJHPLMGPXXBF-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)C1(c2ccccc2OC)CC1 ZINC001482654636 1082438553 /nfs/dbraw/zinc/43/85/53/1082438553.db2.gz MIDRZWJGYOLPMJ-UHFFFAOYSA-N 0 3 302.418 2.303 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001266951001 1082470890 /nfs/dbraw/zinc/47/08/90/1082470890.db2.gz REDCYKPSFKTNAR-SZMVWBNQSA-N 0 3 320.477 2.337 20 30 DEEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)c1cccn1C ZINC001482810256 1082508219 /nfs/dbraw/zinc/50/82/19/1082508219.db2.gz PCWHNOWZTMESIB-AWEZNQCLSA-N 0 3 310.401 2.195 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)Cc1cccnc1 ZINC001482920305 1082558393 /nfs/dbraw/zinc/55/83/93/1082558393.db2.gz MTSQUTDRCJDZAM-UHFFFAOYSA-N 0 3 322.412 2.134 20 30 DEEDHN C#CCNCCN(CC)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001482969489 1082586369 /nfs/dbraw/zinc/58/63/69/1082586369.db2.gz NLTCNEBGKUHSQV-DZGCQCFKSA-N 0 3 306.356 2.140 20 30 DEEDHN CC[C@H](C)OCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001493520098 1082618261 /nfs/dbraw/zinc/61/82/61/1082618261.db2.gz DHOFBMAIHBVGLE-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1sc(CC2CC2)nc1C ZINC001483076300 1082693050 /nfs/dbraw/zinc/69/30/50/1082693050.db2.gz DTTVSAFVULSKEF-WAYWQWQTSA-N 0 3 317.458 2.303 20 30 DEEDHN C[C@H](CNCc1ccccc1Cl)NC(=O)CSCC#N ZINC001483109703 1082715326 /nfs/dbraw/zinc/71/53/26/1082715326.db2.gz ILHCCIKMICKSLH-LLVKDONJSA-N 0 3 311.838 2.191 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC001483116157 1082722969 /nfs/dbraw/zinc/72/29/69/1082722969.db2.gz CQMZDORUBXTFIQ-FJVVXJACSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)NC(=O)c1sccc1CN(C)C ZINC001483133620 1082765043 /nfs/dbraw/zinc/76/50/43/1082765043.db2.gz KUASKGRRVWFVPR-LLVKDONJSA-N 0 3 315.870 2.270 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(F)CCCC1 ZINC001483142917 1082773210 /nfs/dbraw/zinc/77/32/10/1082773210.db2.gz NJGJFFBNPOGSOZ-LLVKDONJSA-N 0 3 309.410 2.496 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001496844178 1082784516 /nfs/dbraw/zinc/78/45/16/1082784516.db2.gz RJLILYQXTCNHRE-HNNXBMFYSA-N 0 3 304.409 2.418 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CCCOCC1 ZINC001483223463 1082826009 /nfs/dbraw/zinc/82/60/09/1082826009.db2.gz JJZQWIHEDXGCCB-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](NC(=O)c1ccsn1)[C@H](C)NCc1ccc(C#N)s1 ZINC001409341596 1082832464 /nfs/dbraw/zinc/83/24/64/1082832464.db2.gz BIBRTROLRMBALQ-VHSXEESVSA-N 0 3 320.443 2.373 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1nccc(C)n1 ZINC001409438823 1082890754 /nfs/dbraw/zinc/89/07/54/1082890754.db2.gz FJBWHCSJYUGMGQ-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001409660806 1083008807 /nfs/dbraw/zinc/00/88/07/1083008807.db2.gz PZTMWNYDNRNKHJ-ZYHUDNBSSA-N 0 3 324.856 2.337 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CNCc1scnc1C ZINC001483274072 1083068955 /nfs/dbraw/zinc/06/89/55/1083068955.db2.gz LBFGFYOEBRAADW-WHOFXGATSA-N 0 3 323.462 2.027 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc2c(c1)COC2)NC(=O)C#CC1CC1 ZINC001483336591 1083112769 /nfs/dbraw/zinc/11/27/69/1083112769.db2.gz QUGYCBLCBBREAQ-AWEZNQCLSA-N 0 3 312.413 2.067 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cccc(F)c1C ZINC001483340406 1083117634 /nfs/dbraw/zinc/11/76/34/1083117634.db2.gz RVNQPDVHQKHCLG-ZDUSSCGKSA-N 0 3 308.397 2.387 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001483352833 1083122891 /nfs/dbraw/zinc/12/28/91/1083122891.db2.gz SFMZYAFGCGYCDB-NSHDSACASA-N 0 3 304.419 2.374 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)CCn1cnc2ccccc21 ZINC001483358128 1083126738 /nfs/dbraw/zinc/12/67/38/1083126738.db2.gz KYYFMXORCYAHKG-AWEZNQCLSA-N 0 3 300.406 2.049 20 30 DEEDHN Cc1cccnc1CNC[C@@H](NC(=O)C#CC(C)(C)C)C1CC1 ZINC001276588353 1083501177 /nfs/dbraw/zinc/50/11/77/1083501177.db2.gz HTLQGYJUDKXJOS-QGZVFWFLSA-N 0 3 313.445 2.424 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@](C)(C=C)CCOC)C(C)(C)C1 ZINC001276594121 1083505261 /nfs/dbraw/zinc/50/52/61/1083505261.db2.gz VISROCTUWWZAFH-YJBOKZPZSA-N 0 3 306.450 2.065 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001281184673 1083544401 /nfs/dbraw/zinc/54/44/01/1083544401.db2.gz MZHULKIVGMXZDY-WMZOPIPTSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001276891228 1083667004 /nfs/dbraw/zinc/66/70/04/1083667004.db2.gz IOULPJHDAXCXDU-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](CNCc2oc(C)nc2C)C1 ZINC001276970471 1083710090 /nfs/dbraw/zinc/71/00/90/1083710090.db2.gz QHDMDPBLAFABGV-SHTZXODSSA-N 0 3 303.406 2.079 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]1(C)CN(CC2CCCCCC2)CCO1 ZINC001107821275 1083734159 /nfs/dbraw/zinc/73/41/59/1083734159.db2.gz LYFOAEZNEOCOML-CRAIPNDOSA-N 0 3 321.465 2.324 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856738 1083765806 /nfs/dbraw/zinc/76/58/06/1083765806.db2.gz CWCZARILAPDDLI-KBXCAEBGSA-N 0 3 319.449 2.499 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2C[C@@]21C(=O)NCc1ccnn1C ZINC001277152574 1083812544 /nfs/dbraw/zinc/81/25/44/1083812544.db2.gz RPZFGNLGCSRHAI-QAPCUYQASA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCCCCCCN1CC[C@H]2C[C@]21C(=O)NCC1COC1 ZINC001277153837 1083815102 /nfs/dbraw/zinc/81/51/02/1083815102.db2.gz XRLGBXRVFSCKJI-FUHWJXTLSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccc(N(C)C)nc1 ZINC001277229053 1083856867 /nfs/dbraw/zinc/85/68/67/1083856867.db2.gz XUDDUFAQKXCQEZ-CYBMUJFWSA-N 0 3 324.856 2.388 20 30 DEEDHN CCCCCCCN1C[C@@H]2C(C(=O)N3CC=CC3)=NO[C@@H]2C1 ZINC001277226449 1083857477 /nfs/dbraw/zinc/85/74/77/1083857477.db2.gz XFIGPHNUMGBWQM-LSDHHAIUSA-N 0 3 305.422 2.042 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)COC(C)C)C1 ZINC001277285306 1083894025 /nfs/dbraw/zinc/89/40/25/1083894025.db2.gz OCZKTKFXYADJGM-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CC)CC2(CCOCC2)C1 ZINC001099590746 1083896915 /nfs/dbraw/zinc/89/69/15/1083896915.db2.gz IOFDWEHLHVKZFW-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN CCC(CC)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932318 1083906657 /nfs/dbraw/zinc/90/66/57/1083906657.db2.gz JXGUYVWQZVPDDT-SFHVURJKSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001277360040 1083926454 /nfs/dbraw/zinc/92/64/54/1083926454.db2.gz NOFINJZDUWZGQB-VSZNYVQBSA-N 0 3 318.461 2.300 20 30 DEEDHN C=CCNC(=O)[C@H](C)N(C)C1CCN(C(=O)C(CC)CC)CC1 ZINC001277379957 1083935825 /nfs/dbraw/zinc/93/58/25/1083935825.db2.gz ZUZWSZUNWUYYMP-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2CN(Cc2ccco2)C3)C1 ZINC001277399386 1083947813 /nfs/dbraw/zinc/94/78/13/1083947813.db2.gz LYNNIQULGMBIEL-SCAQPMJSSA-N 0 3 313.401 2.110 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001491118410 1084093132 /nfs/dbraw/zinc/09/31/32/1084093132.db2.gz PJVGVVZZUXILCP-HOTGVXAUSA-N 0 3 316.420 2.466 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](CNCc2ccn(C)n2)C1 ZINC001491168340 1084123062 /nfs/dbraw/zinc/12/30/62/1084123062.db2.gz DRPBOBFKFKIRRV-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001491198367 1084143614 /nfs/dbraw/zinc/14/36/14/1084143614.db2.gz ITXUGVQBJANMPP-CQSZACIVSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC(C)(C)C ZINC001277788403 1084150156 /nfs/dbraw/zinc/15/01/56/1084150156.db2.gz JRWJIYCAARCRTI-JJXSEGSLSA-N 0 3 308.466 2.471 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1cnn(C)c1C ZINC001491216044 1084161185 /nfs/dbraw/zinc/16/11/85/1084161185.db2.gz XCLVNUNODBCLJH-KRWDZBQOSA-N 0 3 318.465 2.208 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1ccnc(C)n1 ZINC001491218938 1084163639 /nfs/dbraw/zinc/16/36/39/1084163639.db2.gz KIUGPTXSRPDOQE-QGZVFWFLSA-N 0 3 316.449 2.264 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCOC1CCOCC1 ZINC001491231772 1084176048 /nfs/dbraw/zinc/17/60/48/1084176048.db2.gz UKOSWZPXQVLXBB-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)COCCC=C ZINC001491281885 1084206216 /nfs/dbraw/zinc/20/62/16/1084206216.db2.gz LTMUAPRUVJJTQA-IRXDYDNUSA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1ccc(F)cc1F ZINC001235022818 1084280756 /nfs/dbraw/zinc/28/07/56/1084280756.db2.gz DODRFYKMAKECCI-AWEZNQCLSA-N 0 3 324.371 2.452 20 30 DEEDHN COCCC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001168637310 1084327417 /nfs/dbraw/zinc/32/74/17/1084327417.db2.gz CFKMTJAVUFZCJW-OAHLLOKOSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCC(=C)C)CCOCC1 ZINC001235160062 1084329821 /nfs/dbraw/zinc/32/98/21/1084329821.db2.gz PQXJKHUZJTZXIV-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccnc(Cl)c3)C2)C1=O ZINC001272878907 1084414807 /nfs/dbraw/zinc/41/48/07/1084414807.db2.gz LRRJBHCKGJSJGW-INIZCTEOSA-N 0 3 305.809 2.345 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)CC2(CCOCC2)C1 ZINC001089959322 1084442920 /nfs/dbraw/zinc/44/29/20/1084442920.db2.gz HPSJSTIJOZMPNZ-HOTGVXAUSA-N 0 3 318.461 2.350 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001078076503 1084529109 /nfs/dbraw/zinc/52/91/09/1084529109.db2.gz KYOUXWYWNSRBRE-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2nccc(C)n2)C12CCC2 ZINC001078608708 1084766645 /nfs/dbraw/zinc/76/66/45/1084766645.db2.gz IGVUERPNAOSTEV-CHWSQXEVSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2CC)C12CCC2 ZINC001078665413 1084799637 /nfs/dbraw/zinc/79/96/37/1084799637.db2.gz IARLYMZIZCVDFT-ZIAGYGMSSA-N 0 3 322.840 2.355 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)N(C)C)CCCC1 ZINC001485965586 1085013961 /nfs/dbraw/zinc/01/39/61/1085013961.db2.gz QGKCJZIXRPEFDU-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](CO)N[C@@H](C)c1cc(C)ccc1C ZINC001485991517 1085027180 /nfs/dbraw/zinc/02/71/80/1085027180.db2.gz SJKMYXCIBBABHP-IRXDYDNUSA-N 0 3 316.445 2.235 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CO)NCc2ccc(C)cc2)CCC1 ZINC001486032273 1085035915 /nfs/dbraw/zinc/03/59/15/1085035915.db2.gz QDVAOZMKWPKLPA-KRWDZBQOSA-N 0 3 316.445 2.308 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccncc1 ZINC001486069848 1085040979 /nfs/dbraw/zinc/04/09/79/1085040979.db2.gz JXKZPADQKSEZDY-QFBILLFUSA-N 0 3 319.408 2.326 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCc2ccc(F)cc2)C1 ZINC001486123970 1085076926 /nfs/dbraw/zinc/07/69/26/1085076926.db2.gz JYNLRVBVILBSPM-PBHICJAKSA-N 0 3 302.393 2.361 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@@H]1C ZINC001486137374 1085083391 /nfs/dbraw/zinc/08/33/91/1085083391.db2.gz VDGYIVPYWFRBRU-KBPBESRZSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)COC3CCCC3)CCC[C@@H]12 ZINC001486137770 1085083639 /nfs/dbraw/zinc/08/36/39/1085083639.db2.gz CPYWGBXYKDCSQV-AEFFLSMTSA-N 0 3 304.434 2.082 20 30 DEEDHN CCCC[C@@H](C)C(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001486231952 1085140638 /nfs/dbraw/zinc/14/06/38/1085140638.db2.gz RJNVIUWMPJKOSR-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1OCC[C@H]1CC ZINC000960277356 1085179140 /nfs/dbraw/zinc/17/91/40/1085179140.db2.gz FUNAJDLJGFFHJZ-PILAGYSTSA-N 0 3 314.429 2.359 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1csnn1 ZINC000960296302 1085185324 /nfs/dbraw/zinc/18/53/24/1085185324.db2.gz MTDFHGYKRINYGA-UKRRQHHQSA-N 0 3 314.414 2.100 20 30 DEEDHN N#CCCCN1CCC2(CCN(Cc3ccccn3)CC2)C1=O ZINC001272941722 1085190507 /nfs/dbraw/zinc/19/05/07/1085190507.db2.gz GJSCNLMDHJXNGH-UHFFFAOYSA-N 0 3 312.417 2.200 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn(CC)n1 ZINC000960310769 1085191478 /nfs/dbraw/zinc/19/14/78/1085191478.db2.gz OLRHLRMPFVCCLV-IAGOWNOFSA-N 0 3 310.401 2.074 20 30 DEEDHN CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(OCC#N)cc1 ZINC000960337232 1085202614 /nfs/dbraw/zinc/20/26/14/1085202614.db2.gz OUGBNNDOXJRXSA-INIZCTEOSA-N 0 3 315.417 2.422 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cnc2cnccc2c1)C(C)C ZINC001486371397 1085243336 /nfs/dbraw/zinc/24/33/36/1085243336.db2.gz CGFAKWINGPYSDN-UHFFFAOYSA-N 0 3 324.428 2.436 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000960442993 1085286685 /nfs/dbraw/zinc/28/66/85/1085286685.db2.gz IHRXUVYMHYQCLT-KRWDZBQOSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001486438050 1085314604 /nfs/dbraw/zinc/31/46/04/1085314604.db2.gz UMYKQSVPBQLIQA-NVXWUHKLSA-N 0 3 308.466 2.288 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C2(CC=C)CCOCC2)CC1 ZINC001486451050 1085320970 /nfs/dbraw/zinc/32/09/70/1085320970.db2.gz UQTZICQRWKEKAA-INIZCTEOSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc2ncccc12 ZINC000961004078 1085533442 /nfs/dbraw/zinc/53/34/42/1085533442.db2.gz MXFUNTPLKHZZGW-MNZLEMJZSA-N 0 3 307.397 2.010 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)[C@H](OC)C1 ZINC001212455424 1085604483 /nfs/dbraw/zinc/60/44/83/1085604483.db2.gz OSKMJFZNLNXUQP-ARFHVFGLSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ccccc2cc1C ZINC000961266401 1085664858 /nfs/dbraw/zinc/66/48/58/1085664858.db2.gz NWRAIUNQGATLGZ-HWWDLCQESA-N 0 3 307.397 2.389 20 30 DEEDHN C=C(C)CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000965922000 1085694461 /nfs/dbraw/zinc/69/44/61/1085694461.db2.gz RZHVPSWCAMFEMT-CHWSQXEVSA-N 0 3 307.394 2.090 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNCC(=O)NC(C)C ZINC001272967890 1085713627 /nfs/dbraw/zinc/71/36/27/1085713627.db2.gz MTNIGCVCUSCCCJ-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1-n1cccc1 ZINC000961425875 1085728697 /nfs/dbraw/zinc/72/86/97/1085728697.db2.gz YEBWGJWEFYBIIU-NHAGDIPZSA-N 0 3 313.426 2.385 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC000966048273 1085765645 /nfs/dbraw/zinc/76/56/45/1085765645.db2.gz PSRFDVBHFLRKEU-GOEBONIOSA-N 0 3 316.449 2.007 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@H](C)C(=O)NC1CCC(C)CC1 ZINC001128417804 1085774192 /nfs/dbraw/zinc/77/41/92/1085774192.db2.gz GYSXGRIBMATVMU-HWOWSKLDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@H](C)C(=O)N(C(C)C)C(C)C ZINC001128417578 1085774297 /nfs/dbraw/zinc/77/42/97/1085774297.db2.gz BFSTVXYSUDBXKR-OAHLLOKOSA-N 0 3 311.470 2.082 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3conc3C)C2)C1 ZINC000962280701 1086047475 /nfs/dbraw/zinc/04/74/75/1086047475.db2.gz AHXOUGRCNHGGQG-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2sc(C)nc21 ZINC000962281753 1086051407 /nfs/dbraw/zinc/05/14/07/1086051407.db2.gz ULHSKVZIQYMLRL-CXTNEJHOSA-N 0 3 317.458 2.104 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccsc2Cl)[C@@H](O)C1 ZINC001083834555 1086088074 /nfs/dbraw/zinc/08/80/74/1086088074.db2.gz KFGOXFJAKJXZHJ-NEPJUHHUSA-N 0 3 314.838 2.143 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCNCc1cccc(C#N)c1)OCC ZINC001128528141 1086183233 /nfs/dbraw/zinc/18/32/33/1086183233.db2.gz JKVNIKHOERETNA-KRWDZBQOSA-N 0 3 315.417 2.135 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000962968461 1086282745 /nfs/dbraw/zinc/28/27/45/1086282745.db2.gz BPRFWMNTVRQRCR-DMRKSPOLSA-N 0 3 300.377 2.162 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc(CC)n[nH]1)C2 ZINC000963575290 1086501773 /nfs/dbraw/zinc/50/17/73/1086501773.db2.gz SDNDDQDUXYVKCY-UHFFFAOYSA-N 0 3 322.840 2.355 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCCC)C[C@@H]1n1ccnn1 ZINC001129175256 1086616870 /nfs/dbraw/zinc/61/68/70/1086616870.db2.gz UKMSOZIMFVLLCZ-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129238563 1086657802 /nfs/dbraw/zinc/65/78/02/1086657802.db2.gz CSMCXKSRIAICSG-HLLBOEOZSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001486893542 1087019266 /nfs/dbraw/zinc/01/92/66/1087019266.db2.gz FPTKOQLSZATNAG-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001486986231 1087066255 /nfs/dbraw/zinc/06/62/55/1087066255.db2.gz MIGSQAJEBPWQCP-RDTXWAMCSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H]2CCc3ccccc3C2)CCC1 ZINC001273162219 1087098370 /nfs/dbraw/zinc/09/83/70/1087098370.db2.gz WBJBNPXUCGLSPW-SFHVURJKSA-N 0 3 310.441 2.443 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cncn2C)CCC1 ZINC001280502291 1087188488 /nfs/dbraw/zinc/18/84/88/1087188488.db2.gz JKPPXVNPVGSPCO-INIZCTEOSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1[nH]nc3ccccc31)CC2 ZINC001273185484 1087234893 /nfs/dbraw/zinc/23/48/93/1087234893.db2.gz WHASNALOBVCEKR-HNNXBMFYSA-N 0 3 324.428 2.467 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2c[nH]c3ccccc23)CCC1 ZINC001273186907 1087237513 /nfs/dbraw/zinc/23/75/13/1087237513.db2.gz QWZOQHRXJYREKF-UHFFFAOYSA-N 0 3 309.413 2.362 20 30 DEEDHN CCO[C@H](CC(=O)NCCNCc1ccc(C#N)s1)C(C)C ZINC001129315854 1087590025 /nfs/dbraw/zinc/59/00/25/1087590025.db2.gz JHSHFWFNHHSWKO-OAHLLOKOSA-N 0 3 323.462 2.277 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1(NC(=O)CN(CC)CC)CCC1 ZINC001064396864 1087590554 /nfs/dbraw/zinc/59/05/54/1087590554.db2.gz DXZJRULUSTZPFI-QGZVFWFLSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](F)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079257110 1087795729 /nfs/dbraw/zinc/79/57/29/1087795729.db2.gz URZLELYYYCQIRQ-ARFHVFGLSA-N 0 3 324.440 2.106 20 30 DEEDHN Cc1oncc1CNC1(CNC(=O)C#CC2CC2)CCCCC1 ZINC001115527455 1088074114 /nfs/dbraw/zinc/07/41/14/1088074114.db2.gz UJWFOUGSNMSDFP-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001079699194 1088332179 /nfs/dbraw/zinc/33/21/79/1088332179.db2.gz FIUPAOPHYHAOHT-IFUGULHKSA-N 0 3 322.840 2.019 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001079806328 1088426683 /nfs/dbraw/zinc/42/66/83/1088426683.db2.gz BPWILBIDZMQGRJ-CZUORRHYSA-N 0 3 316.449 2.020 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001079847712 1088470973 /nfs/dbraw/zinc/47/09/73/1088470973.db2.gz TVJRTTLHJCLIHA-GDBMZVCRSA-N 0 3 323.396 2.415 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC000958168711 1088826785 /nfs/dbraw/zinc/82/67/85/1088826785.db2.gz YCHUXJKWHXHVGQ-YOEHRIQHSA-N 0 3 316.445 2.193 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@H](O)C1 ZINC000958380347 1088949737 /nfs/dbraw/zinc/94/97/37/1088949737.db2.gz YTCHFFRMCGQZOO-UKRRQHHQSA-N 0 3 322.836 2.247 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001080512554 1089010046 /nfs/dbraw/zinc/01/00/46/1089010046.db2.gz QSBJBZLOAPODLN-ATZDWAIDSA-N 0 3 310.441 2.251 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000958606854 1089090540 /nfs/dbraw/zinc/09/05/40/1089090540.db2.gz WAZRJPNVPDMKNA-QAETUUGQSA-N 0 3 308.466 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001080637713 1089113818 /nfs/dbraw/zinc/11/38/18/1089113818.db2.gz WMGJSIZGBUEFQU-QGPMSJSTSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc(CC)c(C)s2)C1 ZINC000958658137 1089130787 /nfs/dbraw/zinc/13/07/87/1089130787.db2.gz VHGBDPWYABOISF-GJZGRUSLSA-N 0 3 322.474 2.218 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccccc2CC(C)C)C1 ZINC000958729244 1089152778 /nfs/dbraw/zinc/15/27/78/1089152778.db2.gz SVCIITLRVKIDQO-WMZOPIPTSA-N 0 3 316.445 2.094 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC000958734399 1089156071 /nfs/dbraw/zinc/15/60/71/1089156071.db2.gz ZLJTUWPAYLSQPY-OLZOCXBDSA-N 0 3 308.447 2.080 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001080811224 1089197277 /nfs/dbraw/zinc/19/72/77/1089197277.db2.gz GBQGDZNVMWCANO-OLMNPRSZSA-N 0 3 314.429 2.313 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(COC)c(F)c2)C1 ZINC001080847724 1089207681 /nfs/dbraw/zinc/20/76/81/1089207681.db2.gz JNPKBGKTSBDUTQ-CXAGYDPISA-N 0 3 318.392 2.046 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001080976946 1089262065 /nfs/dbraw/zinc/26/20/65/1089262065.db2.gz PIQOWZVDNDBQRC-WQVCFCJDSA-N 0 3 318.392 2.142 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1c1ccccc1 ZINC001081101142 1089352618 /nfs/dbraw/zinc/35/26/18/1089352618.db2.gz MSZANHWBWWZKCK-RBUKOAKNSA-N 0 3 319.408 2.221 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(OC)cc2C)[C@H](OC)C1 ZINC001082090038 1089716911 /nfs/dbraw/zinc/71/69/11/1089716911.db2.gz COVXBRCAOBOQON-IAGOWNOFSA-N 0 3 318.417 2.009 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CN(CC)CC ZINC001082090550 1089717219 /nfs/dbraw/zinc/71/72/19/1089717219.db2.gz CWGLUACMFABPPB-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c(OC)c(C)c1 ZINC000960034579 1089916341 /nfs/dbraw/zinc/91/63/41/1089916341.db2.gz CLKSGAMUSPSTSE-ZSHCYNCHSA-N 0 3 300.402 2.158 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nccc(C)c2c1 ZINC000960089974 1089949067 /nfs/dbraw/zinc/94/90/67/1089949067.db2.gz VIWAQCDZYYVHLN-VQFNDLOPSA-N 0 3 307.397 2.389 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@H]2C1 ZINC001083035875 1090147058 /nfs/dbraw/zinc/14/70/58/1090147058.db2.gz IBHDPRVGGUYYOY-IGKNDFSCSA-N 0 3 318.461 2.300 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CCC(=C)C)C[C@@H]32)cc1 ZINC001083160237 1090169202 /nfs/dbraw/zinc/16/92/02/1090169202.db2.gz PSYJYVFMPPFZSH-RBUKOAKNSA-N 0 3 324.424 2.159 20 30 DEEDHN C(=NN[C@@H]1CCCSC1)c1ccc(N2CCOCC2)cc1 ZINC001119364579 1090201587 /nfs/dbraw/zinc/20/15/87/1090201587.db2.gz ONTSTDADHMNLDK-OAHLLOKOSA-N 0 3 305.447 2.342 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001084353624 1090274699 /nfs/dbraw/zinc/27/46/99/1090274699.db2.gz VKEKAYUUTCZFAM-CHWSQXEVSA-N 0 3 321.446 2.264 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084409467 1090292859 /nfs/dbraw/zinc/29/28/59/1090292859.db2.gz XPJPUIONWQNSTK-GDBMZVCRSA-N 0 3 305.397 2.180 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(OCC=C)cc3)[C@@H]2C1 ZINC001084460048 1090297200 /nfs/dbraw/zinc/29/72/00/1090297200.db2.gz GMYPMAFYQSDHOZ-IEBWSBKVSA-N 0 3 324.424 2.421 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cnc4cnccc4c3)[C@@H]2C1 ZINC001084522949 1090318695 /nfs/dbraw/zinc/31/86/95/1090318695.db2.gz PTMIVQBXMIWCEN-CRAIPNDOSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc4ccccc4nn3)[C@@H]2C1 ZINC001084564424 1090328395 /nfs/dbraw/zinc/32/83/95/1090328395.db2.gz RZPOPXBVAQPTCP-CRAIPNDOSA-N 0 3 322.412 2.352 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1 ZINC001084629401 1090355916 /nfs/dbraw/zinc/35/59/16/1090355916.db2.gz VLJSRAJEHFQVLE-IEBWSBKVSA-N 0 3 319.408 2.404 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4ccncc43)[C@@H]2C1 ZINC001084751276 1090423850 /nfs/dbraw/zinc/42/38/50/1090423850.db2.gz DPWKMVOWKBQRSN-VQIMIIECSA-N 0 3 319.408 2.404 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001410221267 1090436708 /nfs/dbraw/zinc/43/67/08/1090436708.db2.gz IVHYFPWZNLTNNR-HAQNSBGRSA-N 0 3 311.788 2.000 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2ccccc2n1C ZINC001273237283 1090484792 /nfs/dbraw/zinc/48/47/92/1090484792.db2.gz NHUIVKMYKIGAMS-RTBURBONSA-N 0 3 321.424 2.377 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H](CNCc2sc(C)nc2C)C1 ZINC001273237599 1090486463 /nfs/dbraw/zinc/48/64/63/1090486463.db2.gz SDDGVMSOEBCBKQ-AWEZNQCLSA-N 0 3 323.462 2.043 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C[C@H]1O ZINC001099850261 1090531120 /nfs/dbraw/zinc/53/11/20/1090531120.db2.gz NFBRGPSELRUFGR-QZTJIDSGSA-N 0 3 316.445 2.403 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC(C)(C)CO3)C[C@@H]21 ZINC001084992368 1090574631 /nfs/dbraw/zinc/57/46/31/1090574631.db2.gz WMXIHMWKBUAZGN-IKGGRYGDSA-N 0 3 318.461 2.138 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001410442598 1090678317 /nfs/dbraw/zinc/67/83/17/1090678317.db2.gz XBGMOPDLHARIHZ-DOMZBBRYSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccc(C)c(F)c3F)C2)C1=O ZINC001273290516 1090710882 /nfs/dbraw/zinc/71/08/82/1090710882.db2.gz CMSSSJRZUKGDBO-SFHVURJKSA-N 0 3 318.367 2.331 20 30 DEEDHN C=C(C)CN1CCC2(CC[NH+](Cc3ncccc3[O-])CC2)C1=O ZINC001273325299 1091052127 /nfs/dbraw/zinc/05/21/27/1091052127.db2.gz KGPBMXYYPSIWCF-UHFFFAOYSA-N 0 3 315.417 2.178 20 30 DEEDHN N#Cc1cc(CN2CC[C@]3(CCN(C4CCCC4)C3=O)C2)ccn1 ZINC001274279248 1091163275 /nfs/dbraw/zinc/16/32/75/1091163275.db2.gz DXASZOXXZSRCMF-IBGZPJMESA-N 0 3 324.428 2.320 20 30 DEEDHN C#CCCCCC(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 ZINC001274467414 1091260206 /nfs/dbraw/zinc/26/02/06/1091260206.db2.gz BNGBTGNBKKVADJ-KRWDZBQOSA-N 0 3 319.493 2.055 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2nccc3ccccc32)C1=O ZINC001274523447 1091284065 /nfs/dbraw/zinc/28/40/65/1091284065.db2.gz GWIUGLMMXQNJNT-FQEVSTJZSA-N 0 3 319.408 2.435 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001494800653 1091291637 /nfs/dbraw/zinc/29/16/37/1091291637.db2.gz KURCQDIXKDWQEG-CYBMUJFWSA-N 0 3 311.813 2.017 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccc(Cl)cc1C ZINC001274906376 1091470804 /nfs/dbraw/zinc/47/08/04/1091470804.db2.gz BOJOERILYQFXBS-CYBMUJFWSA-N 0 3 308.809 2.006 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCc2ccnc(OC)c2)C1 ZINC001274913180 1091473003 /nfs/dbraw/zinc/47/30/03/1091473003.db2.gz KITUAGJOVFTNCU-CYBMUJFWSA-N 0 3 303.406 2.041 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001274917461 1091475992 /nfs/dbraw/zinc/47/59/92/1091475992.db2.gz UEJWLENLZXRUNB-HUUCEWRRSA-N 0 3 308.466 2.188 20 30 DEEDHN C=CCOCCN[C@H]1CN(C(=O)CCC)CC[C@H]1C(F)(F)F ZINC001279173220 1091512254 /nfs/dbraw/zinc/51/22/54/1091512254.db2.gz NEJKPEKNLVCMMZ-OLZOCXBDSA-N 0 3 322.371 2.358 20 30 DEEDHN CSCCCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)n(C)c1 ZINC001275109429 1091563182 /nfs/dbraw/zinc/56/31/82/1091563182.db2.gz DWDRERQUGGXKES-IYBDPMFKSA-N 0 3 318.490 2.298 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)C(F)(F)F ZINC001275135290 1091576128 /nfs/dbraw/zinc/57/61/28/1091576128.db2.gz HTPWSOYEAMEDNA-OLZOCXBDSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)[C@H](C)C(F)(F)F ZINC001275135291 1091576761 /nfs/dbraw/zinc/57/67/61/1091576761.db2.gz HTPWSOYEAMEDNA-QWHCGFSZSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nn(C)c2c1CCCC2 ZINC001275142754 1091583016 /nfs/dbraw/zinc/58/30/16/1091583016.db2.gz DCWOCPZUZZZQON-CQSZACIVSA-N 0 3 316.449 2.021 20 30 DEEDHN C#CCCCC(=O)NC1CC(CNCC(=C)Br)C1 ZINC001275220701 1091620153 /nfs/dbraw/zinc/62/01/53/1091620153.db2.gz RPJVGKYDYNJZCB-UHFFFAOYSA-N 0 3 313.239 2.183 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CC2([C@@H]3CCCCO3)CCC2)C1=O ZINC001307725136 1091651118 /nfs/dbraw/zinc/65/11/18/1091651118.db2.gz LZSJCWCQTGBIEI-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C ZINC001275320597 1091668536 /nfs/dbraw/zinc/66/85/36/1091668536.db2.gz VTPBXHVUJMULEA-FUHWJXTLSA-N 0 3 316.445 2.170 20 30 DEEDHN C[C@@H](NC(=O)c1ccns1)[C@H](C)NCC#Cc1ccccc1 ZINC001275414568 1091729173 /nfs/dbraw/zinc/72/91/73/1091729173.db2.gz MAIRBRVRBOQZKH-UONOGXRCSA-N 0 3 313.426 2.291 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC001273474908 1091868309 /nfs/dbraw/zinc/86/83/09/1091868309.db2.gz KTPHNVOFUNMZSP-CABCVRRESA-N 0 3 300.418 2.298 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)CC2CC(OCC)C2)CC1 ZINC000948701612 1091888725 /nfs/dbraw/zinc/88/87/25/1091888725.db2.gz XGMFRYMIPNGXRI-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccn(CC)c2C)CC1 ZINC000948705993 1091891510 /nfs/dbraw/zinc/89/15/10/1091891510.db2.gz RMDVFBNBGAFMGA-INIZCTEOSA-N 0 3 301.434 2.376 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@](C)(OC)c1ccccc1F ZINC001273523958 1091901261 /nfs/dbraw/zinc/90/12/61/1091901261.db2.gz JHVFWJFHGFTXMJ-SFHVURJKSA-N 0 3 320.408 2.101 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001273523957 1091901786 /nfs/dbraw/zinc/90/17/86/1091901786.db2.gz JHVFWJFHGFTXMJ-GOSISDBHSA-N 0 3 320.408 2.101 20 30 DEEDHN COCCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001273526198 1091902798 /nfs/dbraw/zinc/90/27/98/1091902798.db2.gz XGOHNRSQBIAFBA-QGZVFWFLSA-N 0 3 307.438 2.174 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000948726091 1091903327 /nfs/dbraw/zinc/90/33/27/1091903327.db2.gz NDIRVRDDCRNPPQ-IRXDYDNUSA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001273583970 1091936699 /nfs/dbraw/zinc/93/66/99/1091936699.db2.gz HZCYRJFYVPEAHS-INIZCTEOSA-N 0 3 302.418 2.176 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(F)cc(F)c3C)C2)C1=O ZINC001273590558 1091940441 /nfs/dbraw/zinc/94/04/41/1091940441.db2.gz KUGVZCULEJGEPT-SFHVURJKSA-N 0 3 318.367 2.331 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN(C)Cc2ccc(CO)cc2)C1 ZINC001275649333 1091942116 /nfs/dbraw/zinc/94/21/16/1091942116.db2.gz UKSUHPSUXFJFGY-HNNXBMFYSA-N 0 3 316.445 2.472 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)nn2CC)CC1 ZINC000948804852 1091945576 /nfs/dbraw/zinc/94/55/76/1091945576.db2.gz RVWGROXWFULHNE-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN CC(C)=CCN1CC[C@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273605999 1091949668 /nfs/dbraw/zinc/94/96/68/1091949668.db2.gz NCBOHOKLULKQSG-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc3nccnc32)CC1 ZINC000948887130 1091980407 /nfs/dbraw/zinc/98/04/07/1091980407.db2.gz WGMDLTDTQHTKSQ-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000948987480 1092023353 /nfs/dbraw/zinc/02/33/53/1092023353.db2.gz YZZCOELMBPNVEP-ZWKOTPCHSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC=CCC1)CCO2 ZINC000949024643 1092034184 /nfs/dbraw/zinc/03/41/84/1092034184.db2.gz LEUJHQNTHHFJLS-INIZCTEOSA-N 0 3 304.434 2.222 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C13CCC(CC1)C3)CCO2 ZINC000949127428 1092055233 /nfs/dbraw/zinc/05/52/33/1092055233.db2.gz ZABIAHRUEFAFJJ-UHFFFAOYSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CC(F)(F)F)CC2)C1 ZINC000949317667 1092105741 /nfs/dbraw/zinc/10/57/41/1092105741.db2.gz WGOLOQJHHBEIFR-UHFFFAOYSA-N 0 3 320.355 2.208 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001275780212 1092109245 /nfs/dbraw/zinc/10/92/45/1092109245.db2.gz CSPGGNVGFZZUBA-SUMWQHHRSA-N 0 3 320.408 2.452 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001447734752 1092217262 /nfs/dbraw/zinc/21/72/62/1092217262.db2.gz RTOCKGXDLHRWEO-OAHLLOKOSA-N 0 3 316.873 2.316 20 30 DEEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)CCOCC1CCC1 ZINC001275827232 1092188483 /nfs/dbraw/zinc/18/84/83/1092188483.db2.gz GYFPDYMNABKMNX-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN N#Cc1ccc(CN2CCCC3(CN(Cc4cn[nH]c4)C3)C2)cc1 ZINC001275828950 1092190345 /nfs/dbraw/zinc/19/03/45/1092190345.db2.gz NTIRWZQDAYUOEU-UHFFFAOYSA-N 0 3 321.428 2.379 20 30 DEEDHN Cc1cc(C(=O)N(C)CCCNCc2ccccc2C#N)no1 ZINC001275862388 1092246781 /nfs/dbraw/zinc/24/67/81/1092246781.db2.gz ZRRVXGFACSFUIP-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccccn2)cc1C#N ZINC001275874484 1092258728 /nfs/dbraw/zinc/25/87/28/1092258728.db2.gz UTXVFWNCXCLZSL-OALUTQOASA-N 0 3 321.428 2.141 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001487896366 1092259530 /nfs/dbraw/zinc/25/95/30/1092259530.db2.gz QGWLEEQVONNDQL-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCN(C(=O)C=C1CCC1)C2 ZINC001273831802 1092274025 /nfs/dbraw/zinc/27/40/25/1092274025.db2.gz CNQQXVPATOZZFL-IBGZPJMESA-N 0 3 316.445 2.061 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001275907538 1092290121 /nfs/dbraw/zinc/29/01/21/1092290121.db2.gz DAINMSSZMGJKMK-MRXNPFEDSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001275913199 1092298506 /nfs/dbraw/zinc/29/85/06/1092298506.db2.gz QFZAAAZYSRLHML-CXAGYDPISA-N 0 3 320.408 2.105 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001488188870 1092384265 /nfs/dbraw/zinc/38/42/65/1092384265.db2.gz AFTNQGKLDKGEME-LSDHHAIUSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCCCN1CC2(C1)CCN(C(=O)Cc1ccsc1)C2 ZINC001275974892 1092416538 /nfs/dbraw/zinc/41/65/38/1092416538.db2.gz FBPVWSTWTAKKQB-UHFFFAOYSA-N 0 3 302.443 2.238 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)[C@H]1C ZINC001488265124 1092459260 /nfs/dbraw/zinc/45/92/60/1092459260.db2.gz AAOXCVIBLGZRLP-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001276000734 1092477512 /nfs/dbraw/zinc/47/75/12/1092477512.db2.gz BLOMWJCDQPTUOI-KRWDZBQOSA-N 0 3 314.429 2.067 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COCc1cccc(C)c1 ZINC001297373376 1092483739 /nfs/dbraw/zinc/48/37/39/1092483739.db2.gz VCANDPFSDUIZFD-UHFFFAOYSA-N 0 3 304.434 2.478 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)cc1CC ZINC001273902830 1092493114 /nfs/dbraw/zinc/49/31/14/1092493114.db2.gz QJIZQXKJWSWGHM-RTBURBONSA-N 0 3 321.424 2.319 20 30 DEEDHN Cn1cccc1C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001488708410 1092725584 /nfs/dbraw/zinc/72/55/84/1092725584.db2.gz NBRPRFFPJLTQOY-HDICACEKSA-N 0 3 321.424 2.175 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001488806609 1092757473 /nfs/dbraw/zinc/75/74/73/1092757473.db2.gz ASRJGEOKUXOJQD-MQMHXKEQSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC001488949335 1092846035 /nfs/dbraw/zinc/84/60/35/1092846035.db2.gz VFKAQYYJHLLJDY-OWCLPIDISA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2c(C)nn(C)c2C)[C@H]1CC ZINC001489127329 1092934439 /nfs/dbraw/zinc/93/44/39/1092934439.db2.gz WBNHQHFMGWUETM-DLBZAZTESA-N 0 3 318.465 2.125 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001489173549 1092945672 /nfs/dbraw/zinc/94/56/72/1092945672.db2.gz LHDOQDCCBKYWMH-ZDUSSCGKSA-N 0 3 318.408 2.139 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001489267329 1092992409 /nfs/dbraw/zinc/99/24/09/1092992409.db2.gz ICHGAPJLAIMQMG-ZBFHGGJFSA-N 0 3 318.465 2.144 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)COc2ccccc2CC)[C@H]1C ZINC001489305815 1093011144 /nfs/dbraw/zinc/01/11/44/1093011144.db2.gz LRFSVSGUSCKBEF-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1sc(C)cc1C ZINC001490196368 1093244354 /nfs/dbraw/zinc/24/43/54/1093244354.db2.gz XDEJZTDLLISJRJ-UHFFFAOYSA-N 0 3 308.447 2.066 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2csnc2C)CC1 ZINC001490404693 1093333657 /nfs/dbraw/zinc/33/36/57/1093333657.db2.gz FJIPSSODIBPQAO-UHFFFAOYSA-N 0 3 323.462 2.191 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H](C)Oc1ccccc1)C1CC1 ZINC001490394394 1093344048 /nfs/dbraw/zinc/34/40/48/1093344048.db2.gz ULVQZXTXGUYWSU-HNNXBMFYSA-N 0 3 300.402 2.058 20 30 DEEDHN Cc1cncc(CN2CCC3(C[C@@H]3NC(=O)C#CC3CC3)CC2)c1 ZINC001490589126 1093434508 /nfs/dbraw/zinc/43/45/08/1093434508.db2.gz BLXCDTFJENKUKC-SFHVURJKSA-N 0 3 323.440 2.274 20 30 DEEDHN CCC(C)(CC)C(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001490610581 1093445891 /nfs/dbraw/zinc/44/58/91/1093445891.db2.gz OTKVNRZJTXGPCL-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc3n1CCC3)CC2 ZINC001273961372 1093564020 /nfs/dbraw/zinc/56/40/20/1093564020.db2.gz APXGZYCGLKAKBL-QGZVFWFLSA-N 0 3 313.445 2.339 20 30 DEEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC001490799905 1093608705 /nfs/dbraw/zinc/60/87/05/1093608705.db2.gz RFDYWVRHUDOVNR-CALCHBBNSA-N 0 3 316.449 2.374 20 30 DEEDHN Cc1cc(CN2CC[C@@]3(CCN(CCCC#N)C3=O)C2)sn1 ZINC001274136935 1093814134 /nfs/dbraw/zinc/81/41/34/1093814134.db2.gz HMJLQLNBCBDUIC-MRXNPFEDSA-N 0 3 318.446 2.180 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)[C@@H](C)C1 ZINC001274188031 1093842020 /nfs/dbraw/zinc/84/20/20/1093842020.db2.gz DEDYAXCYWPCDEU-BBRMVZONSA-N 0 3 315.442 2.360 20 30 DEEDHN CCO[C@@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001420726052 1171089411 /nfs/dbraw/zinc/08/94/11/1171089411.db2.gz KBDRTACMUPCXQW-NHYWBVRUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)Cc1cc(F)c(F)cc1F ZINC001329560542 1148922521 /nfs/dbraw/zinc/92/25/21/1148922521.db2.gz OIMQOUSRRFEUIN-SNVBAGLBSA-N 0 3 300.324 2.269 20 30 DEEDHN CC(C)C#CC(=O)NC1(C)CCN(CCOCC2CC2)CC1 ZINC001278050860 1138501585 /nfs/dbraw/zinc/50/15/85/1138501585.db2.gz AQAPQUPNSDXZCL-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)N(C)CC(F)(F)F)CC1 ZINC001278071611 1138547723 /nfs/dbraw/zinc/54/77/23/1138547723.db2.gz LNQWCFKZWDEWEX-LBPRGKRZSA-N 0 3 321.387 2.026 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)CCC(C)C)C2)CC1 ZINC001278101892 1138645476 /nfs/dbraw/zinc/64/54/76/1138645476.db2.gz KNMJINREIVQSLV-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1ccn3nccc3c1)CC2 ZINC001237537261 1138668456 /nfs/dbraw/zinc/66/84/56/1138668456.db2.gz FMLMJYJPIRURNK-UHFFFAOYSA-N 0 3 324.428 2.477 20 30 DEEDHN N#Cc1cc(Cl)cc(CN2CCC[C@]3(CCNC3=O)C2)c1 ZINC001237748976 1138779925 /nfs/dbraw/zinc/77/99/25/1138779925.db2.gz OPPQDYKGFVGQND-INIZCTEOSA-N 0 3 303.793 2.314 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)NC[C@@H]1CNCCO1 ZINC001238077133 1138820426 /nfs/dbraw/zinc/82/04/26/1138820426.db2.gz WNADYJWIZOBIED-HNNXBMFYSA-N 0 3 320.499 2.035 20 30 DEEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)ccc1C#N ZINC001238404990 1138844284 /nfs/dbraw/zinc/84/42/84/1138844284.db2.gz AQVGUYMMATYBEH-HNNXBMFYSA-N 0 3 300.383 2.341 20 30 DEEDHN COc1cc(CN2CC[C@@H]3[C@H](CCC(=O)N3C)C2)ccc1C#N ZINC001238416401 1138844928 /nfs/dbraw/zinc/84/49/28/1138844928.db2.gz MSGXVESEJMZURA-HZPDHXFCSA-N 0 3 313.401 2.010 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1cc[nH]c1 ZINC001278265610 1138865394 /nfs/dbraw/zinc/86/53/94/1138865394.db2.gz YGHZOWXVLMDMPE-CRAIPNDOSA-N 0 3 307.397 2.259 20 30 DEEDHN C=CC1(CC(=O)NCCNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001292966543 1138878890 /nfs/dbraw/zinc/87/88/90/1138878890.db2.gz NCLAZQFLNDEPHL-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001293649313 1139013028 /nfs/dbraw/zinc/01/30/28/1139013028.db2.gz CDIPSOGYKBOADA-VSGCLNPGSA-N 0 3 318.392 2.208 20 30 DEEDHN C=C(C)CCC(=O)NCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001293829134 1139045877 /nfs/dbraw/zinc/04/58/77/1139045877.db2.gz ROTXTXYWMGYRMI-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCC[C@]2(CCN(CC#CC)C2)C1 ZINC001278335670 1139850212 /nfs/dbraw/zinc/85/02/12/1139850212.db2.gz LFWUNAFWVZKRGX-RBUKOAKNSA-N 0 3 318.461 2.041 20 30 DEEDHN C[NH+](C)CCNC(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001241771334 1139850977 /nfs/dbraw/zinc/85/09/77/1139850977.db2.gz GXSIBFOBZWRZMR-UHFFFAOYSA-N 0 3 311.385 2.453 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001297380102 1139865202 /nfs/dbraw/zinc/86/52/02/1139865202.db2.gz URHCWQOYJFRUSR-UHFFFAOYSA-N 0 3 305.378 2.104 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001491591397 1140185217 /nfs/dbraw/zinc/18/52/17/1140185217.db2.gz CZHKVOUKGQLDIK-CYBMUJFWSA-N 0 3 320.433 2.243 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ncc(Cl)cc1Cl ZINC001491619524 1140209118 /nfs/dbraw/zinc/20/91/18/1140209118.db2.gz YTOZEZZUXHMYAM-VIFPVBQESA-N 0 3 300.189 2.120 20 30 DEEDHN N#Cc1ccc(-c2cncc([C@@H]3CN4CCC3CC4)n2)c(N)c1 ZINC001244084881 1140304642 /nfs/dbraw/zinc/30/46/42/1140304642.db2.gz NRFNKLPBWJTJCF-OAHLLOKOSA-N 0 3 305.385 2.407 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001318413250 1140320461 /nfs/dbraw/zinc/32/04/61/1140320461.db2.gz MXKBWYWXTMRDGF-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001318781447 1140412405 /nfs/dbraw/zinc/41/24/05/1140412405.db2.gz OKANRJQWWGESDA-GJZGRUSLSA-N 0 3 314.857 2.384 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1c(C)nnn1CC ZINC001319525163 1140609340 /nfs/dbraw/zinc/60/93/40/1140609340.db2.gz LMPBZRCKUJXSPW-SUMWQHHRSA-N 0 3 321.469 2.145 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)CCc1ccccc1C ZINC001319537708 1140611225 /nfs/dbraw/zinc/61/12/25/1140611225.db2.gz JXPYWHGSTYSHCA-KRWDZBQOSA-N 0 3 316.445 2.014 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCC(=O)N(C)C)CCCCC1 ZINC001319590380 1140621342 /nfs/dbraw/zinc/62/13/42/1140621342.db2.gz RUAFEUOQDJMSQG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnns2)[C@H](C)C1 ZINC001319679863 1140656515 /nfs/dbraw/zinc/65/65/15/1140656515.db2.gz BGSWZANLLUNGGL-OCCSQVGLSA-N 0 3 322.478 2.467 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)CCCCC(C)C)C1 ZINC001278409414 1140737313 /nfs/dbraw/zinc/73/73/13/1140737313.db2.gz KFSSUJOUGSIOHL-SJORKVTESA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)Cc2ccc(C)cc2)C1 ZINC001278409575 1140743059 /nfs/dbraw/zinc/74/30/59/1140743059.db2.gz HQCPSAZMJSVTIK-LJQANCHMSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccnn1C ZINC001319846815 1140764803 /nfs/dbraw/zinc/76/48/03/1140764803.db2.gz FUAKYJPJLYQFNU-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001320009911 1140811949 /nfs/dbraw/zinc/81/19/49/1140811949.db2.gz XSUVCLLPVHGXNX-INIZCTEOSA-N 0 3 302.418 2.301 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCc1nc2ccccc2o1 ZINC001320081529 1140819609 /nfs/dbraw/zinc/81/96/09/1140819609.db2.gz ZMCCTNXDBCDUBU-UHFFFAOYSA-N 0 3 313.401 2.174 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)Cc1cccc(OC(C)C)c1 ZINC001320091337 1140820654 /nfs/dbraw/zinc/82/06/54/1140820654.db2.gz STGDTALEZOBHID-UHFFFAOYSA-N 0 3 316.445 2.430 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)CC[C@H]21 ZINC001320102339 1140821977 /nfs/dbraw/zinc/82/19/77/1140821977.db2.gz FVXIPQUJBMNYSC-QZTJIDSGSA-N 0 3 316.445 2.059 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cc(C)n(C)n1 ZINC001320152838 1140830766 /nfs/dbraw/zinc/83/07/66/1140830766.db2.gz LFDZGMZEANXERJ-NVXWUHKLSA-N 0 3 318.465 2.459 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001320311074 1140847268 /nfs/dbraw/zinc/84/72/68/1140847268.db2.gz BBQNDDJMKDENNP-ZIAGYGMSSA-N 0 3 323.462 2.385 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc2n1CCCCC2 ZINC001320462382 1140868466 /nfs/dbraw/zinc/86/84/66/1140868466.db2.gz AJMATHINUHMCAI-ZDUSSCGKSA-N 0 3 324.856 2.460 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)CCc3cccnc3)CCC[C@@H]12 ZINC001278450003 1140916752 /nfs/dbraw/zinc/91/67/52/1140916752.db2.gz ATDALBXSBMSQFU-MJGOQNOKSA-N 0 3 311.429 2.151 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCc3ccsc3)CCC[C@H]12 ZINC001278452781 1140955713 /nfs/dbraw/zinc/95/57/13/1140955713.db2.gz OCKKUANXRAQGAU-DOTOQJQBSA-N 0 3 302.443 2.427 20 30 DEEDHN CC#CCNCCN(CC)C(=O)CCn1ccc2ccccc21 ZINC001320912885 1140985256 /nfs/dbraw/zinc/98/52/56/1140985256.db2.gz KZQHUSPLBNNNDH-UHFFFAOYSA-N 0 3 311.429 2.493 20 30 DEEDHN CO[C@H](CNC/C=C/CNC(=O)C#CC(C)C)c1ccccc1 ZINC001321054362 1141041996 /nfs/dbraw/zinc/04/19/96/1141041996.db2.gz LNEJTMWDOXVUPX-LKGOPFMKSA-N 0 3 314.429 2.296 20 30 DEEDHN C=CCO[C@@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC001321159978 1141070719 /nfs/dbraw/zinc/07/07/19/1141070719.db2.gz UTNDVODKMZZHFL-CABCVRRESA-N 0 3 309.454 2.093 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)c1ccsn1 ZINC001321552945 1141306484 /nfs/dbraw/zinc/30/64/84/1141306484.db2.gz WYTQEYJIDWBILW-GFCCVEGCSA-N 0 3 317.389 2.042 20 30 DEEDHN CCc1[nH]ccc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001321831315 1141351014 /nfs/dbraw/zinc/35/10/14/1141351014.db2.gz HMQNCZNFLQTAPN-HNNXBMFYSA-N 0 3 309.413 2.337 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001321831240 1141351163 /nfs/dbraw/zinc/35/11/63/1141351163.db2.gz DKJPFUZILZAAIU-ZDUSSCGKSA-N 0 3 301.365 2.095 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)CCc1ccncc1 ZINC001321907792 1141363498 /nfs/dbraw/zinc/36/34/98/1141363498.db2.gz RMKZFXJJLLGYID-KRWDZBQOSA-N 0 3 321.424 2.160 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccc(OC)nc2)CCC1 ZINC001321978617 1141375599 /nfs/dbraw/zinc/37/55/99/1141375599.db2.gz PMKXHCIOJZAONJ-AWEZNQCLSA-N 0 3 317.433 2.431 20 30 DEEDHN N#Cc1cc(Cl)c(-c2noc([C@H]3CNCCN3)n2)cc1Cl ZINC001247715766 1141454426 /nfs/dbraw/zinc/45/44/26/1141454426.db2.gz GERYYCYQCLGZJI-LLVKDONJSA-N 0 3 324.171 2.149 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(OCC2CC2)nc1 ZINC001329623641 1148945542 /nfs/dbraw/zinc/94/55/42/1148945542.db2.gz MANZTLURFNQFOH-CYBMUJFWSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1cnc(C)cn1 ZINC001322716930 1141697715 /nfs/dbraw/zinc/69/77/15/1141697715.db2.gz RBEDSDOABZZVDX-UHFFFAOYSA-N 0 3 304.438 2.325 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC001323041683 1141804819 /nfs/dbraw/zinc/80/48/19/1141804819.db2.gz HUEPRXSBGHISKH-MGPQQGTHSA-N 0 3 309.410 2.209 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001323258529 1141833345 /nfs/dbraw/zinc/83/33/45/1141833345.db2.gz MLIJXBYQGCQSMP-IXDOHACOSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001323356049 1141845439 /nfs/dbraw/zinc/84/54/39/1141845439.db2.gz HLITWFFKVRQDRU-AWEZNQCLSA-N 0 3 324.856 2.310 20 30 DEEDHN N#Cc1ccn2ncc(CN3CCC4(C[C@H](F)CO4)CC3)c2c1 ZINC001249113481 1141850337 /nfs/dbraw/zinc/85/03/37/1141850337.db2.gz JHLPWIPZVSVOCA-HNNXBMFYSA-N 0 3 314.364 2.299 20 30 DEEDHN N#Cc1ccn2ncc(CN3CC[C@H](COCC4CC4)C3)c2c1 ZINC001249112882 1141850793 /nfs/dbraw/zinc/85/07/93/1141850793.db2.gz ACIHAWRALBONDY-INIZCTEOSA-N 0 3 310.401 2.454 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NC[C@@H](O)c2ccccc2)CC1 ZINC001323515976 1141861244 /nfs/dbraw/zinc/86/12/44/1141861244.db2.gz GSPDHEHJUHHXOJ-OAHLLOKOSA-N 0 3 302.418 2.171 20 30 DEEDHN COc1ccccc1[C@@H](N)Cc1nc(-c2ccc(C#N)cn2)no1 ZINC001249258622 1141865522 /nfs/dbraw/zinc/86/55/22/1141865522.db2.gz PBCJMTAOWOTKKK-ZDUSSCGKSA-N 0 3 321.340 2.254 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)COC(C)(C)C)C2)CC1 ZINC001323825637 1141890029 /nfs/dbraw/zinc/89/00/29/1141890029.db2.gz LCALODXPOYNNGK-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H]1C ZINC001278533666 1142020340 /nfs/dbraw/zinc/02/03/40/1142020340.db2.gz XTDFLFYKPCXOAE-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C(C)(C)CC=C)C2)CC1 ZINC001324353038 1142061535 /nfs/dbraw/zinc/06/15/35/1142061535.db2.gz NIICKDQMWJWJDK-MRXNPFEDSA-N 0 3 318.461 2.209 20 30 DEEDHN CC#CCNC[C@H](NC(=O)COC)c1ccc2ccccc2c1 ZINC001324441716 1142078131 /nfs/dbraw/zinc/07/81/31/1142078131.db2.gz QYGQRWKGUJNPCS-SFHVURJKSA-N 0 3 310.397 2.256 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001278614792 1142348458 /nfs/dbraw/zinc/34/84/58/1142348458.db2.gz AKTYBOWSMAZAPC-UHFFFAOYSA-N 0 3 311.429 2.424 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1NC[C@H]1CCCCN1C ZINC001336764586 1142565598 /nfs/dbraw/zinc/56/55/98/1142565598.db2.gz LNOQUTALSOEWGT-CQSZACIVSA-N 0 3 323.462 2.047 20 30 DEEDHN CCCCCCCC[C@H](O)CN[C@]1(C)CCS(=O)(=O)C1 ZINC001252140210 1142655562 /nfs/dbraw/zinc/65/55/62/1142655562.db2.gz NDEBLMIURFTOSD-LSDHHAIUSA-N 0 3 305.484 2.265 20 30 DEEDHN N#Cc1csc(CNC[C@H](O)COCc2ccccc2)c1 ZINC001252305849 1142679994 /nfs/dbraw/zinc/67/99/94/1142679994.db2.gz BTJZFEIQKADJHM-HNNXBMFYSA-N 0 3 302.399 2.287 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001337226805 1142714579 /nfs/dbraw/zinc/71/45/79/1142714579.db2.gz SHOLHYPTWSBSFG-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1ccc(F)cc1C(F)(F)F ZINC001252486263 1142732972 /nfs/dbraw/zinc/73/29/72/1142732972.db2.gz WLTRGPIDWCLHOE-LBPRGKRZSA-N 0 3 307.287 2.498 20 30 DEEDHN CCCCOC[C@@H](O)CNC(=N)c1ccc2ccccc2n1 ZINC001252533662 1142754969 /nfs/dbraw/zinc/75/49/69/1142754969.db2.gz HDXAEVYGYFIJEK-AWEZNQCLSA-N 0 3 301.390 2.118 20 30 DEEDHN C=C[C@@](C)(O)CN1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001252556411 1142765043 /nfs/dbraw/zinc/76/50/43/1142765043.db2.gz GVUNIHCILQWOQY-FZKQIMNGSA-N 0 3 318.392 2.183 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001252603580 1142785175 /nfs/dbraw/zinc/78/51/75/1142785175.db2.gz AWPMXFHWJZVEHB-CABCVRRESA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001252604587 1142785812 /nfs/dbraw/zinc/78/58/12/1142785812.db2.gz VCLQEKVJQLPPFV-HUUCEWRRSA-N 0 3 306.406 2.261 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](CC(=O)OCC)c1cccc(O)c1 ZINC001252619039 1142790981 /nfs/dbraw/zinc/79/09/81/1142790981.db2.gz AKBIGFXAUDAPAF-CVEARBPZSA-N 0 3 307.390 2.303 20 30 DEEDHN N#Cc1ccc(C2(NC[C@@H](O)COCc3ccco3)CC2)cc1 ZINC001252656638 1142803984 /nfs/dbraw/zinc/80/39/84/1142803984.db2.gz MPXWDTOOVHNHIS-MRXNPFEDSA-N 0 3 312.369 2.308 20 30 DEEDHN COc1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC001252715145 1142811509 /nfs/dbraw/zinc/81/15/09/1142811509.db2.gz BVDTVLQTZRPMJN-LSDHHAIUSA-N 0 3 304.390 2.061 20 30 DEEDHN C#CC[C@@H](CC)c1nnc(N2CCN(C)[C@@H](C(C)C)C2)n1C ZINC001337950751 1142814187 /nfs/dbraw/zinc/81/41/87/1142814187.db2.gz HUHLXOLUESHHNR-HUUCEWRRSA-N 0 3 303.454 2.108 20 30 DEEDHN C=C[C@@H](O)CN1CCN(c2cccc(Br)c2)CC1 ZINC001253578837 1142881996 /nfs/dbraw/zinc/88/19/96/1142881996.db2.gz ILSKSVREYXAQJN-CQSZACIVSA-N 0 3 311.223 2.118 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001278747663 1143003209 /nfs/dbraw/zinc/00/32/09/1143003209.db2.gz RCDDJBRSMXVKDB-ZIAGYGMSSA-N 0 3 318.408 2.045 20 30 DEEDHN COc1cccc(OC[C@H](O)CNCc2ccc(C#N)s2)c1 ZINC001253976818 1143015356 /nfs/dbraw/zinc/01/53/56/1143015356.db2.gz UNFUOUGDADGOIO-GFCCVEGCSA-N 0 3 318.398 2.158 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC001340079678 1143259445 /nfs/dbraw/zinc/25/94/45/1143259445.db2.gz LKQUKBOIUOVVKA-DLBZAZTESA-N 0 3 320.433 2.307 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC001254661744 1143302048 /nfs/dbraw/zinc/30/20/48/1143302048.db2.gz XUKQTKZDCYGYOB-CABCVRRESA-N 0 3 303.406 2.399 20 30 DEEDHN CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CC[C@H](C#N)C1 ZINC001254659558 1143302834 /nfs/dbraw/zinc/30/28/34/1143302834.db2.gz AXJDMFACSIFJTO-SOUVJXGZSA-N 0 3 323.437 2.246 20 30 DEEDHN C#CCN(CC#C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254990367 1143380579 /nfs/dbraw/zinc/38/05/79/1143380579.db2.gz WLNYTGFDHJLKMB-XHSDSOJGSA-N 0 3 302.418 2.343 20 30 DEEDHN CC[C@H](CC#N)NC[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255151968 1143447510 /nfs/dbraw/zinc/44/75/10/1143447510.db2.gz JWCPPJFROBFFTI-KBUPBQIOSA-N 0 3 323.437 2.150 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC001340916201 1143495407 /nfs/dbraw/zinc/49/54/07/1143495407.db2.gz IQVQJAXIQXEFNB-JKSUJKDBSA-N 0 3 314.433 2.076 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCOC[C@H]1c1ccc(OC)cc1 ZINC001340924335 1143497440 /nfs/dbraw/zinc/49/74/40/1143497440.db2.gz ATGJFSPUPYVZTF-SJORKVTESA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccc(NC(C)=O)cc2C1 ZINC001340941658 1143502115 /nfs/dbraw/zinc/50/21/15/1143502115.db2.gz YRNROCFNYUHCDP-QGZVFWFLSA-N 0 3 315.417 2.213 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H]1CCCN(CC)C1=O ZINC001341019296 1143525125 /nfs/dbraw/zinc/52/51/25/1143525125.db2.gz MUPCCAMNEXQNHH-CABCVRRESA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC001341998631 1143766012 /nfs/dbraw/zinc/76/60/12/1143766012.db2.gz DXMRJCAKMQVVQY-KBPBESRZSA-N 0 3 304.390 2.319 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001342778235 1143835914 /nfs/dbraw/zinc/83/59/14/1143835914.db2.gz KGRKPIHBDNBETL-DZGCQCFKSA-N 0 3 318.417 2.493 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@]1(CO)c1ccccc1 ZINC001342813541 1143837771 /nfs/dbraw/zinc/83/77/71/1143837771.db2.gz LEEDLMWVQDWPLH-AEFFLSMTSA-N 0 3 302.418 2.180 20 30 DEEDHN N#Cc1ccc(C2CCC(N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 ZINC001257010602 1143879650 /nfs/dbraw/zinc/87/96/50/1143879650.db2.gz DGYNBPHSBBYVJZ-JCYILVPMSA-N 0 3 316.426 2.485 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCOCC2CC2)CC1 ZINC001279079717 1143979682 /nfs/dbraw/zinc/97/96/82/1143979682.db2.gz TZLCDIMWOSAXPT-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001299669194 1144185999 /nfs/dbraw/zinc/18/59/99/1144185999.db2.gz UWOUAGMGCWCNPR-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H](COC)NCc1ccnc2c(C(=O)OC)cccc12 ZINC001262011031 1144286179 /nfs/dbraw/zinc/28/61/79/1144286179.db2.gz WBWFSNIVUOMWEL-ZDUSSCGKSA-N 0 3 300.358 2.312 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)NC[C@H](C2CC2)N(C)C)cc1 ZINC001262154194 1144296245 /nfs/dbraw/zinc/29/62/45/1144296245.db2.gz ZDXZGSXHEMIZDZ-BLIJAFNYSA-N 0 3 300.402 2.190 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001263083244 1144354349 /nfs/dbraw/zinc/35/43/49/1144354349.db2.gz GPSDLEXTQKFGRA-LSDHHAIUSA-N 0 3 323.481 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Oc2cccnc2)[C@H]1C ZINC001264160101 1144488863 /nfs/dbraw/zinc/48/88/63/1144488863.db2.gz DYIYWDQRZZMPFI-FMKPAKJESA-N 0 3 303.406 2.004 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2ccc(OC)cc2)[C@H]1C ZINC001264172250 1144494409 /nfs/dbraw/zinc/49/44/09/1144494409.db2.gz SRLGAHRMHAAJRZ-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](CC)CC(F)F)C[C@@H]2C1 ZINC001264645446 1144585035 /nfs/dbraw/zinc/58/50/35/1144585035.db2.gz LVTLAAZZDNJQMO-KFWWJZLASA-N 0 3 312.404 2.471 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCCC[C@@H](NCC(=C)Cl)C1 ZINC001264675277 1144590101 /nfs/dbraw/zinc/59/01/01/1144590101.db2.gz BWLFGCUIUSYAEO-LSDHHAIUSA-N 0 3 312.841 2.138 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](OC)C2CCCC2)CC(C)(C)C1 ZINC001264755482 1144607732 /nfs/dbraw/zinc/60/77/32/1144607732.db2.gz SKNTVCHCHLMSCD-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CO[C@H]1CCCC[C@H]1CC ZINC001264984779 1144619724 /nfs/dbraw/zinc/61/97/24/1144619724.db2.gz AKBGPOFMUNDNQA-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(CC)C/C=C\Cl)c1 ZINC001265132881 1144651169 /nfs/dbraw/zinc/65/11/69/1144651169.db2.gz UXHQDHAIIWXYJA-ALCCZGGFSA-N 0 3 305.809 2.257 20 30 DEEDHN CC[C@@H](F)CN(CCCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001265157919 1144656202 /nfs/dbraw/zinc/65/62/02/1144656202.db2.gz SHZISWREQCVTHT-CYBMUJFWSA-N 0 3 306.385 2.219 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC001265232908 1144673230 /nfs/dbraw/zinc/67/32/30/1144673230.db2.gz IIJYCKPRSDDVCN-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001265244609 1144675741 /nfs/dbraw/zinc/67/57/41/1144675741.db2.gz IYDYKNZBQVZSBF-RCCFBDPRSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C(C)(C)C2CCC2)CC1 ZINC001265261101 1144676992 /nfs/dbraw/zinc/67/69/92/1144676992.db2.gz ADOSRDIRVORLBI-UHFFFAOYSA-N 0 3 307.482 2.123 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001265283433 1144682035 /nfs/dbraw/zinc/68/20/35/1144682035.db2.gz FLBJKDAMQJSBKA-QGZVFWFLSA-N 0 3 316.832 2.486 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1cnn(C)c1)C1CC1 ZINC001265372401 1144699422 /nfs/dbraw/zinc/69/94/22/1144699422.db2.gz IOPWDVXTBVIQLX-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN CCCCCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#N ZINC001265519366 1144708697 /nfs/dbraw/zinc/70/86/97/1144708697.db2.gz LZXMKXXNMOKZLD-ALOPSCKCSA-N 0 3 320.481 2.134 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001265531883 1144709683 /nfs/dbraw/zinc/70/96/83/1144709683.db2.gz YYWLCLQYDFFSNM-IYBDPMFKSA-N 0 3 313.401 2.270 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2nc(C)sc2C)C1 ZINC001265586786 1144715506 /nfs/dbraw/zinc/71/55/06/1144715506.db2.gz ODSHDJWKBWJNNX-HNNXBMFYSA-N 0 3 319.474 2.154 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001265849415 1144747281 /nfs/dbraw/zinc/74/72/81/1144747281.db2.gz ZQKXKODQHWTFCJ-AWEZNQCLSA-N 0 3 321.446 2.070 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)C1 ZINC001265899684 1144752936 /nfs/dbraw/zinc/75/29/36/1144752936.db2.gz TVGNDKIXZNWHAZ-INIZCTEOSA-N 0 3 303.381 2.105 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001265936256 1144762854 /nfs/dbraw/zinc/76/28/54/1144762854.db2.gz KAWRYUJHYMERAX-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccccc2)ccn1 ZINC001265944606 1144764966 /nfs/dbraw/zinc/76/49/66/1144764966.db2.gz LKBHLXBLIVKCLH-UHFFFAOYSA-N 0 3 307.397 2.434 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](OC(C)C)c2ccccc2)C1 ZINC001265951698 1144767606 /nfs/dbraw/zinc/76/76/06/1144767606.db2.gz OJMPVVQVVSCBFK-ZWKOTPCHSA-N 0 3 314.429 2.367 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cnnn1CC ZINC001265993299 1144779567 /nfs/dbraw/zinc/77/95/67/1144779567.db2.gz WLAPTPWKWAYGII-GOEBONIOSA-N 0 3 319.453 2.123 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)NCCF)cn1 ZINC001266010590 1144784904 /nfs/dbraw/zinc/78/49/04/1144784904.db2.gz KXYZTAAMUZXNFZ-XJKSGUPXSA-N 0 3 303.381 2.005 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)Cc1ccon1 ZINC001266203230 1144813693 /nfs/dbraw/zinc/81/36/93/1144813693.db2.gz ACRXZJKYJAKIAA-CQSZACIVSA-N 0 3 311.813 2.330 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCC[C@@H](C)O)C2)CCC1 ZINC001266237241 1144817656 /nfs/dbraw/zinc/81/76/56/1144817656.db2.gz RRWDMNSYUQUBMM-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1nc(C(C)C)no1 ZINC001316601064 1144832118 /nfs/dbraw/zinc/83/21/18/1144832118.db2.gz NDPOJSWLGNKXKG-CQSZACIVSA-N 0 3 320.437 2.234 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCC1 ZINC001280549901 1144844802 /nfs/dbraw/zinc/84/48/02/1144844802.db2.gz YHFSHWWJMUEHBZ-JKSUJKDBSA-N 0 3 300.377 2.191 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001281019245 1144868775 /nfs/dbraw/zinc/86/87/75/1144868775.db2.gz YCXMDNVQIMSUFY-AWEZNQCLSA-N 0 3 311.470 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@](CO)(NC/C=C\Cl)C1 ZINC001281145889 1144873896 /nfs/dbraw/zinc/87/38/96/1144873896.db2.gz LBMDWVHNHOXLQX-QKIRZYONSA-N 0 3 314.857 2.284 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001281184547 1144876530 /nfs/dbraw/zinc/87/65/30/1144876530.db2.gz LWEIHNQRQIATDW-APWZRJJASA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)/C=C(\C)C2CC2)CCOCC1 ZINC001281212438 1144878353 /nfs/dbraw/zinc/87/83/53/1144878353.db2.gz UIPFCQAAJIITSC-FMIVXFBMSA-N 0 3 312.841 2.350 20 30 DEEDHN C=C(C)CCC(=O)NC1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001281355604 1144884639 /nfs/dbraw/zinc/88/46/39/1144884639.db2.gz ISBVCJQMLFKWBC-VMBOVVBDSA-N 0 3 323.481 2.035 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001281389208 1144886419 /nfs/dbraw/zinc/88/64/19/1144886419.db2.gz CULHHFCMSPVVES-HIFRSBDPSA-N 0 3 319.836 2.475 20 30 DEEDHN Cc1ncc(CN[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)s1 ZINC001281393568 1144886791 /nfs/dbraw/zinc/88/67/91/1144886791.db2.gz DMIVOIYKYFRCAJ-SWLSCSKDSA-N 0 3 305.447 2.047 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(COC)CCCC2)C(C)(C)C1 ZINC001281559485 1144897148 /nfs/dbraw/zinc/89/71/48/1144897148.db2.gz XIPIFOYDHNETBY-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2nc(C)cs2)C[C@@H]1C ZINC001281670681 1144904729 /nfs/dbraw/zinc/90/47/29/1144904729.db2.gz PRRADFIICXKBOY-GJZGRUSLSA-N 0 3 319.474 2.377 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001281808783 1144914811 /nfs/dbraw/zinc/91/48/11/1144914811.db2.gz RIIRZTSGSLPTLZ-HOTGVXAUSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CC(CNCc2cc(C)ncn2)C1 ZINC001282053028 1144937367 /nfs/dbraw/zinc/93/73/67/1144937367.db2.gz NYLCWGDKWQVGOM-JMLCCBQJSA-N 0 3 316.449 2.372 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)n1C ZINC001282096036 1144974900 /nfs/dbraw/zinc/97/49/00/1144974900.db2.gz NYPZZTCOFUIUBL-SJORKVTESA-N 0 3 323.440 2.482 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2ccnn2C)CC1 ZINC001282185743 1145008935 /nfs/dbraw/zinc/00/89/35/1145008935.db2.gz QOHPLTBBMSBARS-KBPBESRZSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001282378506 1145053294 /nfs/dbraw/zinc/05/32/94/1145053294.db2.gz RGMHIOHOTQAHEK-CXAGYDPISA-N 0 3 308.397 2.089 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)C[C@@H]1CC(C)(C)CO1 ZINC001282444348 1145070308 /nfs/dbraw/zinc/07/03/08/1145070308.db2.gz PMMYDSUBSDZYMB-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001282676654 1145120710 /nfs/dbraw/zinc/12/07/10/1145120710.db2.gz UKKZBGHSBUEQGF-DLBZAZTESA-N 0 3 316.449 2.218 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001282735431 1145153029 /nfs/dbraw/zinc/15/30/29/1145153029.db2.gz ZTNOJZWZVFSETH-CQSZACIVSA-N 0 3 319.449 2.391 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001282745820 1145160171 /nfs/dbraw/zinc/16/01/71/1145160171.db2.gz XLSFMAZMMUYIMS-CVEARBPZSA-N 0 3 314.429 2.222 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](CN[C@@H](C)c2cnc(C)cn2)C1 ZINC001283022839 1145238468 /nfs/dbraw/zinc/23/84/68/1145238468.db2.gz IGQCYBUBWDMJKX-KKUMJFAQSA-N 0 3 302.422 2.297 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC001283080322 1145259534 /nfs/dbraw/zinc/25/95/34/1145259534.db2.gz SHPUOASCCNRIND-CTYIDZIISA-N 0 3 304.438 2.007 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC001364688199 1145464403 /nfs/dbraw/zinc/46/44/03/1145464403.db2.gz HLKDJZJIMZESPE-INIZCTEOSA-N 0 3 318.442 2.190 20 30 DEEDHN Cc1ccncc1CN[C@H](C)CN(C)C(=O)C#CC(C)(C)C ZINC001283608125 1145543412 /nfs/dbraw/zinc/54/34/12/1145543412.db2.gz NSDBIXLOJIRCQB-OAHLLOKOSA-N 0 3 301.434 2.376 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001283618525 1145546507 /nfs/dbraw/zinc/54/65/07/1145546507.db2.gz VCRZJQNGAAFTTP-LBPRGKRZSA-N 0 3 316.430 2.212 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COc1ccc(Cl)cc1 ZINC001283704694 1145602698 /nfs/dbraw/zinc/60/26/98/1145602698.db2.gz JKGHEOKWEXKEFX-CYBMUJFWSA-N 0 3 308.809 2.179 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C[C@H](C)c1ccccc1 ZINC001283706008 1145603709 /nfs/dbraw/zinc/60/37/09/1145603709.db2.gz RNVKAKNFGQVDKM-IRXDYDNUSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)NCc1ccc(C2CC2)cc1 ZINC001283792893 1145648887 /nfs/dbraw/zinc/64/88/87/1145648887.db2.gz PJAYQRJKMHIUQM-KRWDZBQOSA-N 0 3 316.445 2.343 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cnccc3c2)C1 ZINC001284014529 1145751717 /nfs/dbraw/zinc/75/17/17/1145751717.db2.gz BSOSXQPTOGFWFF-RDTXWAMCSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2scnc2C)C[C@H]1C ZINC001284030739 1145759357 /nfs/dbraw/zinc/75/93/57/1145759357.db2.gz IAFBRDZJAGBGDY-OCCSQVGLSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2ncccc2C)C[C@H]1C ZINC001284034581 1145764735 /nfs/dbraw/zinc/76/47/35/1145764735.db2.gz RYWGPXUZXMRYPK-CVEARBPZSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCc2nc(C(C)C)no2)[C@H]1C ZINC001284131268 1145805210 /nfs/dbraw/zinc/80/52/10/1145805210.db2.gz PQBZIWIXYZIURG-ZIAGYGMSSA-N 0 3 320.437 2.281 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccccc2)[C@H]1C ZINC001284156115 1145809601 /nfs/dbraw/zinc/80/96/01/1145809601.db2.gz WXSCCUGHFACZMC-NVXWUHKLSA-N 0 3 300.402 2.058 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C/C=C/c1ccc(F)cc1 ZINC001284502352 1145863968 /nfs/dbraw/zinc/86/39/68/1145863968.db2.gz NSENESJLFZSVCS-RTRPANQVSA-N 0 3 320.408 2.166 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(C2CC2)n[nH]1)C(C)C ZINC001284543582 1145869343 /nfs/dbraw/zinc/86/93/43/1145869343.db2.gz FCUAJGCYXGZOFS-UHFFFAOYSA-N 0 3 302.422 2.093 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)C(C)C ZINC001284562916 1145871374 /nfs/dbraw/zinc/87/13/74/1145871374.db2.gz URMOIOFBXYJOID-AWEZNQCLSA-N 0 3 320.481 2.495 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)Cc2ccccc2C#C)CC1 ZINC001284701580 1145892718 /nfs/dbraw/zinc/89/27/18/1145892718.db2.gz AOVWSWYXLAAKNY-MRXNPFEDSA-N 0 3 308.425 2.060 20 30 DEEDHN CC1(C(=O)NC[C@H]2C[C@H](NCc3ccc(C#N)cc3F)C2)CC1 ZINC001365833963 1146023205 /nfs/dbraw/zinc/02/32/05/1146023205.db2.gz SAQFPJIBOWBILW-CTYIDZIISA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001285774379 1146318069 /nfs/dbraw/zinc/31/80/69/1146318069.db2.gz ULLNIIFWLWYGNI-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC001491876458 1146945757 /nfs/dbraw/zinc/94/57/57/1146945757.db2.gz NJWYTAHWNLBBMX-GJZGRUSLSA-N 0 3 303.406 2.304 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)C2CCOCC2)C1 ZINC001491938976 1147008371 /nfs/dbraw/zinc/00/83/71/1147008371.db2.gz ORPARFMCWXLZRR-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001492105555 1147076457 /nfs/dbraw/zinc/07/64/57/1147076457.db2.gz SETXYAMACPVBMS-LLVKDONJSA-N 0 3 311.813 2.200 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](OC)C1CCCC1 ZINC001492120837 1147082464 /nfs/dbraw/zinc/08/24/64/1147082464.db2.gz XPRJUABRJTYAON-TZMCWYRMSA-N 0 3 302.846 2.429 20 30 DEEDHN C=CCCC(=O)NC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001492130626 1147085349 /nfs/dbraw/zinc/08/53/49/1147085349.db2.gz GKTFTLKUDKRWAN-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001492311694 1147207215 /nfs/dbraw/zinc/20/72/15/1147207215.db2.gz ZNILRYXHGRYZDU-QGZVFWFLSA-N 0 3 302.418 2.428 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2ccccc2nn1 ZINC001366471383 1147299063 /nfs/dbraw/zinc/29/90/63/1147299063.db2.gz KDFGMCBLMCRUOA-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COC2CCCC2)CC(C)(C)C1 ZINC001316807599 1147581632 /nfs/dbraw/zinc/58/16/32/1147581632.db2.gz GARLRNVZNDGENW-HNNXBMFYSA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001316809041 1147581881 /nfs/dbraw/zinc/58/18/81/1147581881.db2.gz ZZGCYYZTUBFECT-DOTOQJQBSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](OC)C2CCC2)CC(C)(C)C1 ZINC001316810253 1147582630 /nfs/dbraw/zinc/58/26/30/1147582630.db2.gz HZVPFOAEYKNXJD-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1ccnc(Cl)c1 ZINC001316887635 1147623597 /nfs/dbraw/zinc/62/35/97/1147623597.db2.gz SBEHNOVVHBVRAQ-GFCCVEGCSA-N 0 3 308.813 2.223 20 30 DEEDHN C=CCCC(=O)N(C)C1CCN(CCOC[C@H]2CCCO2)CC1 ZINC001316931834 1147634077 /nfs/dbraw/zinc/63/40/77/1147634077.db2.gz PFNQUAMJEWMSHG-QGZVFWFLSA-N 0 3 324.465 2.071 20 30 DEEDHN CC/C=C\CCN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001316942058 1147635803 /nfs/dbraw/zinc/63/58/03/1147635803.db2.gz XUSHUPNZPLLOIU-ABCZVMIZSA-N 0 3 300.406 2.437 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001316947494 1147637158 /nfs/dbraw/zinc/63/71/58/1147637158.db2.gz MKXHIXFPYJNCTR-CVEARBPZSA-N 0 3 304.438 2.299 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001367045607 1147639063 /nfs/dbraw/zinc/63/90/63/1147639063.db2.gz DXQPLMIPPMEALA-RHSMWYFYSA-N 0 3 322.412 2.427 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001317084347 1147657789 /nfs/dbraw/zinc/65/77/89/1147657789.db2.gz IXWWOSBNDXXKKO-HAQNSBGRSA-N 0 3 309.435 2.245 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2c(C)onc2CC)C1 ZINC001317118326 1147661791 /nfs/dbraw/zinc/66/17/91/1147661791.db2.gz RLELQJPRNAEKDY-BETUJISGSA-N 0 3 305.422 2.494 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001317174469 1147671144 /nfs/dbraw/zinc/67/11/44/1147671144.db2.gz TZYYIDCKHYACTM-OAHLLOKOSA-N 0 3 304.438 2.061 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)NCCC ZINC001317186874 1147673098 /nfs/dbraw/zinc/67/30/98/1147673098.db2.gz USKMBTMJYSRVMR-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@H]1CNCc1cncs1 ZINC001317199866 1147675429 /nfs/dbraw/zinc/67/54/29/1147675429.db2.gz WGHBUUZGLHSEJT-AWEZNQCLSA-N 0 3 323.462 2.207 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001317204666 1147676056 /nfs/dbraw/zinc/67/60/56/1147676056.db2.gz CHIVYCDAOJNBMI-FUHWJXTLSA-N 0 3 314.429 2.167 20 30 DEEDHN CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001317205784 1147676522 /nfs/dbraw/zinc/67/65/22/1147676522.db2.gz ATPNVOPTCOXNOX-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001317211296 1147677803 /nfs/dbraw/zinc/67/78/03/1147677803.db2.gz XXPYUIQCHUACDF-GOEBONIOSA-N 0 3 318.465 2.349 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001317261756 1147684028 /nfs/dbraw/zinc/68/40/28/1147684028.db2.gz NNDYRAQGRRSYNK-ZDUSSCGKSA-N 0 3 303.431 2.408 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCc2cnc(C)nc2)CCC1 ZINC001317262951 1147684052 /nfs/dbraw/zinc/68/40/52/1147684052.db2.gz BOVMXEYWROZJKU-ZDUSSCGKSA-N 0 3 302.422 2.126 20 30 DEEDHN CC[C@H](CC1CCCC1)C(=O)NC[C@@H](C)NCC#CCOC ZINC001317271451 1147684934 /nfs/dbraw/zinc/68/49/34/1147684934.db2.gz NBUIROJERQLNPL-NVXWUHKLSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001317338381 1147692800 /nfs/dbraw/zinc/69/28/00/1147692800.db2.gz DPFBTCRZEBHWCH-GXTWGEPZSA-N 0 3 319.453 2.215 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnn(CCC)c1)C(C)C ZINC001367479441 1147700287 /nfs/dbraw/zinc/70/02/87/1147700287.db2.gz FRSSMYKWOZWMCE-AWEZNQCLSA-N 0 3 312.845 2.390 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2cccc3ccccc32)C1 ZINC001317533424 1147721248 /nfs/dbraw/zinc/72/12/48/1147721248.db2.gz VFHZHLXTVTZHAO-MRXNPFEDSA-N 0 3 306.409 2.454 20 30 DEEDHN Cc1ccc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)n1C ZINC001367652582 1147721420 /nfs/dbraw/zinc/72/14/20/1147721420.db2.gz LGEOVWLPQKRODO-LLVKDONJSA-N 0 3 316.430 2.175 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001317535684 1147721653 /nfs/dbraw/zinc/72/16/53/1147721653.db2.gz JWPFDMWOWOLRJJ-HFCFLWKCSA-N 0 3 320.477 2.291 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)CC[C@H]1CCCO1 ZINC001317568139 1147726709 /nfs/dbraw/zinc/72/67/09/1147726709.db2.gz AMASOMMNHPJALA-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C[C@H]1CCCOC1 ZINC001367714353 1147731663 /nfs/dbraw/zinc/73/16/63/1147731663.db2.gz AHUQUYOJRKYGGW-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN CC[C@@H](C)[C@H](OC)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001317606814 1147732134 /nfs/dbraw/zinc/73/21/34/1147732134.db2.gz VZVIWXVKCCMUNE-PBHICJAKSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(C)CCOCC1 ZINC001367761485 1147739275 /nfs/dbraw/zinc/73/92/75/1147739275.db2.gz NVNRHJRQZFODMO-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)C1(COC)CCC1)c1ccccc1 ZINC001317720873 1147746932 /nfs/dbraw/zinc/74/69/32/1147746932.db2.gz OHMHMWUINYUICC-KRWDZBQOSA-N 0 3 314.429 2.274 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ccnc(C)c1)c1ccccc1 ZINC001317725476 1147747812 /nfs/dbraw/zinc/74/78/12/1147747812.db2.gz UKUSGPPOSWEETE-SFHVURJKSA-N 0 3 307.397 2.474 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001317739788 1147748482 /nfs/dbraw/zinc/74/84/82/1147748482.db2.gz OGCQRXZZLBDOQF-SOLBZPMBSA-N 0 3 306.450 2.300 20 30 DEEDHN CC(C)OCCCN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001317971224 1147763943 /nfs/dbraw/zinc/76/39/43/1147763943.db2.gz YOHKYPRIRHEKBP-INIZCTEOSA-N 0 3 308.466 2.432 20 30 DEEDHN CCCC(=O)N[C@H](CNCc1cc(C#N)ccc1OC)C1CC1 ZINC001367876285 1147764485 /nfs/dbraw/zinc/76/44/85/1147764485.db2.gz LXOAHKKUAFSZQA-MRXNPFEDSA-N 0 3 315.417 2.351 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001317988347 1147764597 /nfs/dbraw/zinc/76/45/97/1147764597.db2.gz WSEBIKXQQLRLTC-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCCCCC(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001318140073 1147781805 /nfs/dbraw/zinc/78/18/05/1147781805.db2.gz LVKPCXJVAXSVFZ-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC[C@@H](C(=O)NCC1CN(C[C@H](C)O)C1)c1ccccc1 ZINC001318180680 1147791006 /nfs/dbraw/zinc/79/10/06/1147791006.db2.gz XUEVGYRRQMTQNV-MAUKXSAKSA-N 0 3 316.445 2.165 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC001368040479 1147839187 /nfs/dbraw/zinc/83/91/87/1147839187.db2.gz HBGBRVFCTWWKKP-UHFFFAOYSA-N 0 3 321.852 2.109 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)C2CCCC2)CC1 ZINC001324840618 1147852081 /nfs/dbraw/zinc/85/20/81/1147852081.db2.gz OZXIQRMETDNMPC-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2cncc(C)c2)C1 ZINC001324948832 1147861504 /nfs/dbraw/zinc/86/15/04/1147861504.db2.gz VXJSQWOZRJHIIT-SFHVURJKSA-N 0 3 301.434 2.337 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CN(CC)CCC1(F)F ZINC001325053247 1147871134 /nfs/dbraw/zinc/87/11/34/1147871134.db2.gz HYJVNHHFEKNVAL-INIZCTEOSA-N 0 3 320.383 2.304 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCc1coc(-c2ccccc2)n1 ZINC001325737048 1147993019 /nfs/dbraw/zinc/99/30/19/1147993019.db2.gz KBFAHIUWPDLINM-HNNXBMFYSA-N 0 3 312.373 2.021 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CN(Cc3cnoc3C)C[C@H]2C1 ZINC001325741034 1147993881 /nfs/dbraw/zinc/99/38/81/1147993881.db2.gz SASDKUCCNPDIPY-IYBDPMFKSA-N 0 3 317.433 2.476 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)co1 ZINC001325900333 1148017037 /nfs/dbraw/zinc/01/70/37/1148017037.db2.gz UFRTVTGGUATMSO-CVEARBPZSA-N 0 3 318.417 2.470 20 30 DEEDHN Cc1csc(CNCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001326262364 1148066350 /nfs/dbraw/zinc/06/63/50/1148066350.db2.gz YSXXGXXQWMSHRJ-OAHLLOKOSA-N 0 3 317.458 2.193 20 30 DEEDHN C=CCC(C)(C)C(=O)NCc1ccccc1CN(C)CCO ZINC001326458054 1148106538 /nfs/dbraw/zinc/10/65/38/1148106538.db2.gz JHFFGCQWKWQZLZ-UHFFFAOYSA-N 0 3 304.434 2.329 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C#C)cn2)cc1 ZINC001326489471 1148113764 /nfs/dbraw/zinc/11/37/64/1148113764.db2.gz IHVOGGKWIPAMMO-HNNXBMFYSA-N 0 3 317.392 2.277 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCCO2)cc1 ZINC001326495360 1148116951 /nfs/dbraw/zinc/11/69/51/1148116951.db2.gz SPORMLOWFXBVKF-WMLDXEAASA-N 0 3 300.402 2.156 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2CCC3(CC3)CC2)CCC1 ZINC001326854488 1148270772 /nfs/dbraw/zinc/27/07/72/1148270772.db2.gz BHPPIZIOMTZLIB-UHFFFAOYSA-N 0 3 318.461 2.235 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001327130323 1148333452 /nfs/dbraw/zinc/33/34/52/1148333452.db2.gz LNTXFVATKYHHKB-BRWVUGGUSA-N 0 3 320.477 2.289 20 30 DEEDHN Cc1cncc(CN(C)CCCN(C)C(=O)C#CC(C)C)c1 ZINC001327200021 1148346133 /nfs/dbraw/zinc/34/61/33/1148346133.db2.gz HQAFTZVURPYSTL-UHFFFAOYSA-N 0 3 301.434 2.330 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612120654 361751330 /nfs/dbraw/zinc/75/13/30/361751330.db2.gz GHEPALUNMCNZHG-KRWDZBQOSA-N 0 3 304.438 2.362 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000278500124 214193405 /nfs/dbraw/zinc/19/34/05/214193405.db2.gz AGBSBMSIWHSCSB-WMZOPIPTSA-N 0 3 304.434 2.295 20 30 DEEDHN COc1ccc(CN(C)CCCc2[nH]nc(N)c2C#N)cc1F ZINC000153335887 282168012 /nfs/dbraw/zinc/16/80/12/282168012.db2.gz VOGZBBLHRRJJAP-UHFFFAOYSA-N 0 3 317.368 2.076 20 30 DEEDHN C=CCC[C@@H](NC1CCN(CC(=O)NC)CC1)c1ccco1 ZINC000278873339 214461211 /nfs/dbraw/zinc/46/12/11/214461211.db2.gz GLBKXVONJWHFHR-OAHLLOKOSA-N 0 3 305.422 2.087 20 30 DEEDHN Cc1ccnc(NC(C)(C)CCN2CCN(C)CC2)c1C#N ZINC000613705091 362185776 /nfs/dbraw/zinc/18/57/76/362185776.db2.gz IBCHKKKLLRUZAY-UHFFFAOYSA-N 0 3 301.438 2.090 20 30 DEEDHN CN1CC=C(CNC(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000330681847 530047110 /nfs/dbraw/zinc/04/71/10/530047110.db2.gz GRYRUGIVAGNWBZ-NRFANRHFSA-N 0 3 307.419 2.012 20 30 DEEDHN C=CCCOCC(=O)NCCCN1CCc2ccccc2C1 ZINC000146945402 539521932 /nfs/dbraw/zinc/52/19/32/539521932.db2.gz PVRQADUXIUUPFU-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN CO/N=C(/C(=O)N(CC(C)C)C1CCN(C)CC1)c1ccco1 ZINC000266722130 290848077 /nfs/dbraw/zinc/84/80/77/290848077.db2.gz FOPNUBZKVRRMHB-FBMGVBCBSA-N 0 3 321.421 2.209 20 30 DEEDHN CC[C@@]1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCOC1 ZINC000616865981 362952669 /nfs/dbraw/zinc/95/26/69/362952669.db2.gz DPHUJPKAXZVFFT-OAHLLOKOSA-N 0 3 307.419 2.334 20 30 DEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000595469755 358457198 /nfs/dbraw/zinc/45/71/98/358457198.db2.gz XUYKOBKVFOGGON-OAHLLOKOSA-N 0 3 300.402 2.371 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](NCCc1ccc(C#N)cc1)C(N)=O ZINC000595501811 358466173 /nfs/dbraw/zinc/46/61/73/358466173.db2.gz NFMNPAMUDZFJTM-KDOFPFPSSA-N 0 3 307.397 2.348 20 30 DEEDHN Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCN1CCCCCC1 ZINC000328853981 539911674 /nfs/dbraw/zinc/91/16/74/539911674.db2.gz SRXMDIIMWOAMLJ-UHFFFAOYSA-N 0 3 318.377 2.417 20 30 DEEDHN CC(C)(C)N1C[C@H](C(=O)NCCN2CCCCCC2)CC1=O ZINC000328992355 539912978 /nfs/dbraw/zinc/91/29/78/539912978.db2.gz DMFBSYNMUFZJCF-CQSZACIVSA-N 0 3 309.454 2.466 20 30 DEEDHN Cc1cc(N2CCC(NC(=O)CC3CCN(C)CC3)CC2)n[nH]1 ZINC000330172342 539935055 /nfs/dbraw/zinc/93/50/55/539935055.db2.gz GJMMKUQONABIQF-UHFFFAOYSA-N 0 3 319.453 2.375 20 30 DEEDHN C#CCOc1ccccc1CNCCCOC1CCOCC1 ZINC000174462293 198337874 /nfs/dbraw/zinc/33/78/74/198337874.db2.gz RAZOVSIMFIVQIM-UHFFFAOYSA-N 0 3 303.402 2.374 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)N1CCC(C)CC1 ZINC000595548757 358480913 /nfs/dbraw/zinc/48/09/13/358480913.db2.gz ZJJITVVJMGSTHS-JKSUJKDBSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000043841730 354227599 /nfs/dbraw/zinc/22/75/99/354227599.db2.gz WZWBKQHMXZPCFF-AWEZNQCLSA-N 0 3 314.433 2.430 20 30 DEEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H]1CCOC1 ZINC000052072112 354392921 /nfs/dbraw/zinc/39/29/21/354392921.db2.gz GTBGFNAJTJHHKW-HNNXBMFYSA-N 0 3 307.438 2.030 20 30 DEEDHN CC(C)N(C)CC(=O)NCCSCc1ccccc1C#N ZINC000052875916 354415609 /nfs/dbraw/zinc/41/56/09/354415609.db2.gz OHVJXFLJOQVJSS-UHFFFAOYSA-N 0 3 305.447 2.248 20 30 DEEDHN N#CC1(CCCN2CCS[C@@H]3COCC[C@H]32)CCOCC1 ZINC000369198408 283044301 /nfs/dbraw/zinc/04/43/01/283044301.db2.gz OGAVDXGVFSOOEC-HUUCEWRRSA-N 0 3 310.463 2.293 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]1CO)C(C)C ZINC000073710573 354976704 /nfs/dbraw/zinc/97/67/04/354976704.db2.gz KEISUUCXXGQSPS-ZACQAIPSSA-N 0 3 323.481 2.145 20 30 DEEDHN CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000073771694 354981363 /nfs/dbraw/zinc/98/13/63/354981363.db2.gz WDNGDNYJCGDBLP-AWEZNQCLSA-N 0 3 303.366 2.394 20 30 DEEDHN CC[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000076072621 355123424 /nfs/dbraw/zinc/12/34/24/355123424.db2.gz TYVWTBMAJXKPDE-DOTOQJQBSA-N 0 3 320.458 2.320 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CCN1C ZINC000332615659 235201947 /nfs/dbraw/zinc/20/19/47/235201947.db2.gz BHYDJEWESGEKTM-WFASDCNBSA-N 0 3 324.384 2.426 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)C#Cc2ccccc2)CC1 ZINC000081998374 355457414 /nfs/dbraw/zinc/45/74/14/355457414.db2.gz OGSVQPAGLUHCBN-UHFFFAOYSA-N 0 3 314.429 2.044 20 30 DEEDHN N#Cc1nc(NC2CCN([C@@H]3CCOC3)CC2)ccc1Cl ZINC000089602826 355538559 /nfs/dbraw/zinc/53/85/59/355538559.db2.gz BUCKEUGKXMMRFX-GFCCVEGCSA-N 0 3 306.797 2.272 20 30 DEEDHN C=CCN1CCC(NC(=O)C2=Cc3cc(F)ccc3OC2)CC1 ZINC000090554036 355563200 /nfs/dbraw/zinc/56/32/00/355563200.db2.gz KIDHZSNFAPMWNT-UHFFFAOYSA-N 0 3 316.376 2.368 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000595600009 358497301 /nfs/dbraw/zinc/49/73/01/358497301.db2.gz FGGCIYDCAYKCKF-CQSZACIVSA-N 0 3 320.824 2.495 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000127220920 355820998 /nfs/dbraw/zinc/82/09/98/355820998.db2.gz QNZPDZONYYMCGO-FZMZJTMJSA-N 0 3 316.380 2.122 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1OC ZINC000144398083 355902189 /nfs/dbraw/zinc/90/21/89/355902189.db2.gz BKVHCZGQVJNQPX-AWEZNQCLSA-N 0 3 316.401 2.227 20 30 DEEDHN CC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000182326714 356121280 /nfs/dbraw/zinc/12/12/80/356121280.db2.gz NKJBRIXNVNGNNU-IAGOWNOFSA-N 0 3 315.417 2.480 20 30 DEEDHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCC(=O)NCC#N ZINC000185804315 356211605 /nfs/dbraw/zinc/21/16/05/356211605.db2.gz FOFNHKTZSBIYLI-QWRGUYRKSA-N 0 3 313.323 2.427 20 30 DEEDHN C=CCOc1ccccc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000194679939 356243391 /nfs/dbraw/zinc/24/33/91/356243391.db2.gz YXJMJPIMZZCSTP-UHFFFAOYSA-N 0 3 314.389 2.262 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@H]2CCOc3ccccc32)C(N)=O)cc1 ZINC000115599851 283188015 /nfs/dbraw/zinc/18/80/15/283188015.db2.gz WSEFICBLCXRJLA-QAPCUYQASA-N 0 3 321.380 2.241 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000351178840 356626957 /nfs/dbraw/zinc/62/69/57/356626957.db2.gz SWFRBILCZMZREC-PXAZEXFGSA-N 0 3 312.373 2.478 20 30 DEEDHN C=C[C@H](C(=O)OC)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382581690 356676795 /nfs/dbraw/zinc/67/67/95/356676795.db2.gz NDNHXAAABBRAIV-DOTOQJQBSA-N 0 3 302.418 2.310 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C(C)C ZINC000531171437 356744888 /nfs/dbraw/zinc/74/48/88/356744888.db2.gz WCKXRIFHXMVYEI-RDJZCZTQSA-N 0 3 318.465 2.338 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCOC3(CCC3)C2)CC1 ZINC000579800280 357031896 /nfs/dbraw/zinc/03/18/96/357031896.db2.gz DQOGBGFGGXKHBE-HNNXBMFYSA-N 0 3 321.465 2.285 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCCC2CCCCC2)nc1 ZINC000589057915 357441263 /nfs/dbraw/zinc/44/12/63/357441263.db2.gz OODIUCPLGFPJGX-UHFFFAOYSA-N 0 3 321.446 2.287 20 30 DEEDHN C[C@H](NC(=O)c1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000589488993 357474739 /nfs/dbraw/zinc/47/47/39/357474739.db2.gz WMOVKIHFFMJQGD-GUYCJALGSA-N 0 3 308.385 2.374 20 30 DEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000591358306 357713640 /nfs/dbraw/zinc/71/36/40/357713640.db2.gz ZLISDJDTQFYXMB-WDEREUQCSA-N 0 3 306.797 2.103 20 30 DEEDHN N#CCN1CCC(NCc2cnc(-c3ccco3)s2)CC1 ZINC000618723651 363586978 /nfs/dbraw/zinc/58/69/78/363586978.db2.gz GZCFMPOCQQILAN-UHFFFAOYSA-N 0 3 302.403 2.481 20 30 DEEDHN CCOC(=O)c1cc(NC(=O)[C@H](N)CCCC#N)ccc1Cl ZINC000591599873 357741581 /nfs/dbraw/zinc/74/15/81/357741581.db2.gz IOPCWLUNPWELAV-CYBMUJFWSA-N 0 3 323.780 2.476 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](O)C(F)(F)F ZINC000591785397 357760872 /nfs/dbraw/zinc/76/08/72/357760872.db2.gz MHSFIVXVJNKPII-WCFLWFBJSA-N 0 3 314.307 2.187 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)NCc1cccc(C#N)c1 ZINC000593304054 358051307 /nfs/dbraw/zinc/05/13/07/358051307.db2.gz GPXHLURRGTUFQP-UHFFFAOYSA-N 0 3 300.406 2.186 20 30 DEEDHN CCC(C#N)C(=O)NC[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000593741428 358134403 /nfs/dbraw/zinc/13/44/03/358134403.db2.gz ASNYAXTXFFWNAQ-CXAGYDPISA-N 0 3 302.374 2.173 20 30 DEEDHN CCC(C#N)C(=O)N1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000593665099 358119438 /nfs/dbraw/zinc/11/94/38/358119438.db2.gz CBBDPVMCIISTHG-QEJZJMRPSA-N 0 3 300.358 2.441 20 30 DEEDHN N#Cc1cccc(CN2CCC(N[C@@H]3CCn4ccnc43)CC2)c1 ZINC000593725091 358130728 /nfs/dbraw/zinc/13/07/28/358130728.db2.gz JOLCZUOGEMQCHG-GOSISDBHSA-N 0 3 321.428 2.454 20 30 DEEDHN CCOC(=O)[C@@](C)(CNC(=O)C(C#N)CC)c1ccccc1 ZINC000593642298 358116496 /nfs/dbraw/zinc/11/64/96/358116496.db2.gz FEHKFFGAOZZGLX-GUYCJALGSA-N 0 3 302.374 2.173 20 30 DEEDHN C=CCSCCN[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000180457047 199161409 /nfs/dbraw/zinc/16/14/09/199161409.db2.gz QGVLYUYAZYMFQG-GFCCVEGCSA-N 0 3 314.476 2.165 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000594286386 358238940 /nfs/dbraw/zinc/23/89/40/358238940.db2.gz YDNFTMDIGXZBJI-KSSFIOAISA-N 0 3 311.429 2.337 20 30 DEEDHN COC(=O)c1ccc(N2CCCN(C(C)(C)C)CC2)c(C#N)n1 ZINC000594545800 358292158 /nfs/dbraw/zinc/29/21/58/358292158.db2.gz LHFYACMSCDWUGB-UHFFFAOYSA-N 0 3 316.405 2.050 20 30 DEEDHN C=CCCSCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000594717543 358325144 /nfs/dbraw/zinc/32/51/44/358325144.db2.gz BPQREOBFKVHRNV-UHFFFAOYSA-N 0 3 324.471 2.231 20 30 DEEDHN C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000595411942 358442379 /nfs/dbraw/zinc/44/23/79/358442379.db2.gz PVDOCOKEERLTPT-QRQLOZEOSA-N 0 3 312.461 2.209 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595787053 358549408 /nfs/dbraw/zinc/54/94/08/358549408.db2.gz SQHNKBPIXTYENX-JKSUJKDBSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595787051 358549430 /nfs/dbraw/zinc/54/94/30/358549430.db2.gz SQHNKBPIXTYENX-HOTGVXAUSA-N 0 3 306.454 2.442 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791486 358550658 /nfs/dbraw/zinc/55/06/58/358550658.db2.gz UVYDKRBTNPJIQK-HOTGVXAUSA-N 0 3 307.438 2.030 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000595808146 358553170 /nfs/dbraw/zinc/55/31/70/358553170.db2.gz UAHFLHLOSBJQIW-DOTOQJQBSA-N 0 3 312.417 2.329 20 30 DEEDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@H]32)cc(C#N)c1[N+](=O)[O-] ZINC000596189823 358635327 /nfs/dbraw/zinc/63/53/27/358635327.db2.gz SMEGZQHFMAECRF-IUODEOHRSA-N 0 3 300.362 2.305 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596675093 358738715 /nfs/dbraw/zinc/73/87/15/358738715.db2.gz WFTLDEWJDKPYLV-KRWDZBQOSA-N 0 3 314.433 2.084 20 30 DEEDHN COc1cc(CN2CC[C@H](CN3CCCC3=O)C2)ccc1C#N ZINC000597227169 358861914 /nfs/dbraw/zinc/86/19/14/358861914.db2.gz ACUJTPPKODGSMB-HNNXBMFYSA-N 0 3 313.401 2.011 20 30 DEEDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCCC#N)CC1 ZINC000597616045 358963493 /nfs/dbraw/zinc/96/34/93/358963493.db2.gz BSMJTCHDXLUWHJ-MRXNPFEDSA-N 0 3 323.481 2.400 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)[C@@H]2C1 ZINC000597484676 358930123 /nfs/dbraw/zinc/93/01/23/358930123.db2.gz PVJDJMKRBKJVAL-MEBBXXQBSA-N 0 3 305.328 2.003 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCCO[C@H]1CCCCO1 ZINC000597675708 358976628 /nfs/dbraw/zinc/97/66/28/358976628.db2.gz FANMLTCOTFSSML-SJORKVTESA-N 0 3 316.401 2.418 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000597942676 359047910 /nfs/dbraw/zinc/04/79/10/359047910.db2.gz XRGRHKQSDSPUNX-XWTMOSNGSA-N 0 3 312.413 2.378 20 30 DEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000598195938 359119895 /nfs/dbraw/zinc/11/98/95/359119895.db2.gz XEUZOHOCZRGQEA-KRWDZBQOSA-N 0 3 322.412 2.275 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000598603148 359258102 /nfs/dbraw/zinc/25/81/02/359258102.db2.gz YGHYVGNRVBYBNV-ZDUSSCGKSA-N 0 3 302.374 2.295 20 30 DEEDHN CN1CCN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000598615004 359261845 /nfs/dbraw/zinc/26/18/45/359261845.db2.gz PXQSQQUVVQCDLV-MSOLQXFVSA-N 0 3 315.461 2.146 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCn2cncc2C1 ZINC000598949982 359364540 /nfs/dbraw/zinc/36/45/40/359364540.db2.gz YTNZSWQHAIRHSC-CVEARBPZSA-N 0 3 308.385 2.087 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2c1ncn2C)C(C)C ZINC000599454276 359503040 /nfs/dbraw/zinc/50/30/40/359503040.db2.gz ZUWJNSZGOXVMFA-AWEZNQCLSA-N 0 3 314.437 2.474 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](CC)c1cc(C)ccc1C ZINC000599640231 359552325 /nfs/dbraw/zinc/55/23/25/359552325.db2.gz IVPNIGHIZCPHHR-HNNXBMFYSA-N 0 3 303.406 2.356 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000186934073 200033053 /nfs/dbraw/zinc/03/30/53/200033053.db2.gz ZSGOCSQHGWECBY-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN COc1cc(NC(=O)NCC2=CCN(C)CC2)c(F)cc1C#N ZINC000599814700 359604350 /nfs/dbraw/zinc/60/43/50/359604350.db2.gz JEBHZQZIPRGICL-UHFFFAOYSA-N 0 3 318.352 2.089 20 30 DEEDHN COc1cc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(F)cc1C#N ZINC000599820134 359606723 /nfs/dbraw/zinc/60/67/23/359606723.db2.gz VDKNGDPQZSWFMG-ZYHUDNBSSA-N 0 3 320.368 2.310 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc[nH]1 ZINC000187591162 200130897 /nfs/dbraw/zinc/13/08/97/200130897.db2.gz PUKUVYUOVZASEQ-CMDGGOBGSA-N 0 3 322.412 2.490 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000668370443 540655934 /nfs/dbraw/zinc/65/59/34/540655934.db2.gz XMPYNMDFPNZJBQ-SFHVURJKSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncnc3ccsc32)CC1 ZINC000668368990 540655150 /nfs/dbraw/zinc/65/51/50/540655150.db2.gz LQRPWMOMAXHOGI-UHFFFAOYSA-N 0 3 302.403 2.072 20 30 DEEDHN N#Cc1n[nH]cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602366577 360351237 /nfs/dbraw/zinc/35/12/37/360351237.db2.gz XHOUWQTZMIVORK-AWEZNQCLSA-N 0 3 309.373 2.132 20 30 DEEDHN CC[C@@]1(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 ZINC000619170628 363724862 /nfs/dbraw/zinc/72/48/62/363724862.db2.gz PEIDNGIXLJYJKX-FUHWJXTLSA-N 0 3 313.401 2.212 20 30 DEEDHN C[C@@H](CCC#N)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602471626 360390231 /nfs/dbraw/zinc/39/02/31/360390231.db2.gz FISLIUIGRJVHGN-STQMWFEESA-N 0 3 303.366 2.416 20 30 DEEDHN COc1cccc(N2CC[C@H](NCc3cccc(C#N)n3)C2)c1 ZINC000602535321 360422399 /nfs/dbraw/zinc/42/23/99/360422399.db2.gz XKEWPVQXZHGTMX-INIZCTEOSA-N 0 3 308.385 2.330 20 30 DEEDHN N#Cc1cccc(CNCCCn2cc(Br)cn2)n1 ZINC000602662656 360482654 /nfs/dbraw/zinc/48/26/54/360482654.db2.gz QFPDGFUEOSWMMC-UHFFFAOYSA-N 0 3 320.194 2.092 20 30 DEEDHN CCC[C@H](CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602631747 360468218 /nfs/dbraw/zinc/46/82/18/360468218.db2.gz RJAKAMGIJBHVHT-SJORKVTESA-N 0 3 315.417 2.064 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN(C)[C@@H](C)CC ZINC000668776261 540727447 /nfs/dbraw/zinc/72/74/47/540727447.db2.gz CUFGWIOSUQDZGX-ARFHVFGLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC1(F)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602992289 360659475 /nfs/dbraw/zinc/65/94/75/360659475.db2.gz IOYKHIXUTLFTJL-OAHLLOKOSA-N 0 3 306.381 2.316 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000669150252 540789818 /nfs/dbraw/zinc/78/98/18/540789818.db2.gz PVFYXNWMBZCHJZ-XPKDYRNWSA-N 0 3 308.447 2.184 20 30 DEEDHN COCc1cc(C#N)ccc1NCCN1CCN(C)C(C)(C)C1 ZINC000603368930 360808133 /nfs/dbraw/zinc/80/81/33/360808133.db2.gz DXRJOXNJKJGDMF-UHFFFAOYSA-N 0 3 316.449 2.143 20 30 DEEDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(C#N)c(F)c1 ZINC000272006155 209377771 /nfs/dbraw/zinc/37/77/71/209377771.db2.gz LIKATPYWLUTUGK-IUODEOHRSA-N 0 3 320.364 2.270 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]cnc32)[C@H]1C ZINC001088849046 781937014 /nfs/dbraw/zinc/93/70/14/781937014.db2.gz BVBJRDZUGIPYAZ-UPJWGTAASA-N 0 3 322.840 2.161 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609283482 361296543 /nfs/dbraw/zinc/29/65/43/361296543.db2.gz IFQJSRWMXYFPRT-HNNXBMFYSA-N 0 3 310.401 2.331 20 30 DEEDHN N#CCn1c(C(=O)NCCN2CCCCC2)cc2ccccc21 ZINC000609163149 361286600 /nfs/dbraw/zinc/28/66/00/361286600.db2.gz CQSZGZHNDIEPDF-UHFFFAOYSA-N 0 3 310.401 2.381 20 30 DEEDHN C[C@@H]1CN(CCNCc2cccc(OCCCC#N)c2)CCO1 ZINC000609223665 361290792 /nfs/dbraw/zinc/29/07/92/361290792.db2.gz ZZVSHECUASGCNI-MRXNPFEDSA-N 0 3 317.433 2.179 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609399054 361309326 /nfs/dbraw/zinc/30/93/26/361309326.db2.gz GCALQLVSSUPBHA-AWEZNQCLSA-N 0 3 314.389 2.173 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CCN1C ZINC000610209747 361367952 /nfs/dbraw/zinc/36/79/52/361367952.db2.gz YZMMPTDPYYFLLU-ZFWWWQNUSA-N 0 3 310.401 2.377 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)S1 ZINC000610336811 361386670 /nfs/dbraw/zinc/38/66/70/361386670.db2.gz DKXBNOGQPFIMDN-IJEWVQPXSA-N 0 3 320.458 2.318 20 30 DEEDHN CN(CCOC(C)(C)C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610860920 361480022 /nfs/dbraw/zinc/48/00/22/361480022.db2.gz GMCMEQHYCXHMSA-MRXNPFEDSA-N 0 3 320.433 2.239 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610714681 361450788 /nfs/dbraw/zinc/45/07/88/361450788.db2.gz XFQVHIMOWGIUTF-CZUORRHYSA-N 0 3 322.412 2.377 20 30 DEEDHN N#CCN1CCC(NCc2cnc([C@H]3CCCO3)s2)CC1 ZINC000611118782 361530137 /nfs/dbraw/zinc/53/01/37/361530137.db2.gz SKRKSNOIEPNKJX-CQSZACIVSA-N 0 3 306.435 2.072 20 30 DEEDHN N#CCN1CCC(NCc2c(C3CC3)nc3sccn23)CC1 ZINC000611376590 361588167 /nfs/dbraw/zinc/58/81/67/361588167.db2.gz ULVQVBOOQBEHPK-UHFFFAOYSA-N 0 3 315.446 2.351 20 30 DEEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCC(=O)N(C)CCC#N ZINC000611554331 361628004 /nfs/dbraw/zinc/62/80/04/361628004.db2.gz LWEOKBQLYWPHEM-NEPJUHHUSA-N 0 3 305.344 2.411 20 30 DEEDHN C=C[C@H](NCC1(N2CCSCC2)CCCCC1)C(=O)OC ZINC000619701503 363859864 /nfs/dbraw/zinc/85/98/64/363859864.db2.gz LAWYBHOAYYAHOM-AWEZNQCLSA-N 0 3 312.479 2.055 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[C@@H]2CCOC2)CC1 ZINC000675308342 541317084 /nfs/dbraw/zinc/31/70/84/541317084.db2.gz KKYGBVPTPOHIFX-GJZGRUSLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H](O)c2cccc(F)c2)CC1 ZINC000091442746 193055687 /nfs/dbraw/zinc/05/56/87/193055687.db2.gz HHRUNNLKRNLRKH-MRXNPFEDSA-N 0 3 306.381 2.016 20 30 DEEDHN O[C@@H]1CCC[C@H]1N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000676715247 541488472 /nfs/dbraw/zinc/48/84/72/541488472.db2.gz VLCGYUMZRWLKGB-QZTJIDSGSA-N 0 3 318.848 2.223 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCCC1 ZINC000449891555 241217846 /nfs/dbraw/zinc/21/78/46/241217846.db2.gz WEBVHAQHUOWOCY-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(CCN(C)C)C2CC2)cc1 ZINC000450710581 242129193 /nfs/dbraw/zinc/12/91/93/242129193.db2.gz GTYUAFSPHXQFGF-UHFFFAOYSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(OC)c(O)c2)CC1 ZINC000630944372 367925767 /nfs/dbraw/zinc/92/57/67/367925767.db2.gz XQIIWFZUJQKTGK-UHFFFAOYSA-N 0 3 318.417 2.100 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000631562982 368288256 /nfs/dbraw/zinc/28/82/56/368288256.db2.gz JSTMVQZFTFJYPQ-IBGZPJMESA-N 0 3 314.429 2.096 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1(C)C ZINC000451501703 243036031 /nfs/dbraw/zinc/03/60/31/243036031.db2.gz GZDFDCRDDZYNOB-GODIYZJISA-N 0 3 309.454 2.078 20 30 DEEDHN CCC[C@]1(COC)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000194934564 284083644 /nfs/dbraw/zinc/08/36/44/284083644.db2.gz OFQFEPNHGFVSOE-DLBZAZTESA-N 0 3 307.438 2.076 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1cncc2ncnn21)C(C)C ZINC000678347233 541716615 /nfs/dbraw/zinc/71/66/15/541716615.db2.gz ALTMBKMQSRCZFK-AWEZNQCLSA-N 0 3 300.410 2.235 20 30 DEEDHN C=CCCOCCCCC(=O)N1CCN(c2ccncc2)CC1 ZINC000678811258 541768822 /nfs/dbraw/zinc/76/88/22/541768822.db2.gz DRLNOXGJHDFOBV-UHFFFAOYSA-N 0 3 317.433 2.493 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1CCOC1 ZINC000266328734 296143016 /nfs/dbraw/zinc/14/30/16/296143016.db2.gz VFMIONQCNWQBQN-OWCLPIDISA-N 0 3 315.417 2.336 20 30 DEEDHN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCCN(CC)CC1 ZINC000453416251 245124656 /nfs/dbraw/zinc/12/46/56/245124656.db2.gz VLRVOBFWVYLQAN-GJZGRUSLSA-N 0 3 319.453 2.236 20 30 DEEDHN COCC#CCNC(C)(C)COc1ncccc1C(F)(F)F ZINC000679438181 541854547 /nfs/dbraw/zinc/85/45/47/541854547.db2.gz RBCFRTWILPNVRB-UHFFFAOYSA-N 0 3 316.323 2.497 20 30 DEEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)N(C)C(=O)OC(C)(C)C ZINC000282704473 217190014 /nfs/dbraw/zinc/19/00/14/217190014.db2.gz MHJKBORESJGZLZ-LBPRGKRZSA-N 0 3 306.410 2.242 20 30 DEEDHN C=CCOCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000679589293 541880564 /nfs/dbraw/zinc/88/05/64/541880564.db2.gz MHGQEOGLMVXLFS-AWEZNQCLSA-N 0 3 323.462 2.387 20 30 DEEDHN CC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1C[C@@H](C)O ZINC000266386500 205309302 /nfs/dbraw/zinc/30/93/02/205309302.db2.gz NLELHIZMKMKUEL-OCCSQVGLSA-N 0 3 307.825 2.493 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679873423 541922126 /nfs/dbraw/zinc/92/21/26/541922126.db2.gz HABKYOKMOMNNDG-NEPJUHHUSA-N 0 3 303.328 2.476 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCC#N)C1 ZINC000454772857 246142513 /nfs/dbraw/zinc/14/25/13/246142513.db2.gz DADWGBGVMYLUNE-MRXNPFEDSA-N 0 3 314.433 2.454 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(OC)cn2)CC1 ZINC000492545411 249086398 /nfs/dbraw/zinc/08/63/98/249086398.db2.gz ADDYSZJDKMXSBD-FNORWQNLSA-N 0 3 315.417 2.260 20 30 DEEDHN CCC#C[C@@H](C)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711824 542194735 /nfs/dbraw/zinc/19/47/35/542194735.db2.gz QZSIVNIUNQJYCA-IEBWSBKVSA-N 0 3 300.446 2.357 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000493519068 249313520 /nfs/dbraw/zinc/31/35/20/249313520.db2.gz LCKMYQGYVZXYDR-JCVNQNCUSA-N 0 3 313.401 2.155 20 30 DEEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000273993352 211252469 /nfs/dbraw/zinc/25/24/69/211252469.db2.gz JWZNZAKQXQZGAS-FRRDWIJNSA-N 0 3 317.389 2.063 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cccnc3C#N)CC2)C[C@@H](C)O1 ZINC000273926387 211182089 /nfs/dbraw/zinc/18/20/89/211182089.db2.gz BUWZSELNZQWMIZ-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN C[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)N(C)C1CC1 ZINC000105267656 194090164 /nfs/dbraw/zinc/09/01/64/194090164.db2.gz JMBBIEOPBYLWSM-CYBMUJFWSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000106039861 194181103 /nfs/dbraw/zinc/18/11/03/194181103.db2.gz CYTUQZHCQXYPDW-UHFFFAOYSA-N 0 3 316.401 2.244 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)C2CCCCC2)CC1 ZINC000106275030 194193666 /nfs/dbraw/zinc/19/36/66/194193666.db2.gz RAJDALDDJFEKTG-QGZVFWFLSA-N 0 3 323.481 2.267 20 30 DEEDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000285188640 218326487 /nfs/dbraw/zinc/32/64/87/218326487.db2.gz RTEGSNVQZKBFOT-GFCCVEGCSA-N 0 3 317.389 2.064 20 30 DEEDHN C=CCOCCCC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000269117799 207255343 /nfs/dbraw/zinc/25/53/43/207255343.db2.gz SUGRYJIYDYIGNI-UHFFFAOYSA-N 0 3 320.433 2.265 20 30 DEEDHN C=CC[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000116971489 194789870 /nfs/dbraw/zinc/78/98/70/194789870.db2.gz RZLJNHKIXRYRAE-ARFHVFGLSA-N 0 3 323.481 2.482 20 30 DEEDHN CN1CC=C(CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000538349400 285032600 /nfs/dbraw/zinc/03/26/00/285032600.db2.gz ZUYHCKAROWBDLA-UHFFFAOYSA-N 0 3 315.442 2.170 20 30 DEEDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000362713115 285110170 /nfs/dbraw/zinc/11/01/70/285110170.db2.gz SGVXZBLKYNQJAS-RRQGHBQHSA-N 0 3 304.390 2.029 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000157778035 197215230 /nfs/dbraw/zinc/21/52/30/197215230.db2.gz OXESKLVKDAUONA-DYVFJYSZSA-N 0 3 308.385 2.137 20 30 DEEDHN C[C@@](CO)(NCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000156229008 197097510 /nfs/dbraw/zinc/09/75/10/197097510.db2.gz LQTKGYAVTYHZRW-SFHVURJKSA-N 0 3 315.417 2.418 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000543691601 285303209 /nfs/dbraw/zinc/30/32/09/285303209.db2.gz YRWMJJJOASJPFP-ZUZCIYMTSA-N 0 3 303.793 2.424 20 30 DEEDHN Cc1nn(C)cc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289773494 221215631 /nfs/dbraw/zinc/21/56/31/221215631.db2.gz KRUMOHPWQKISAX-UHFFFAOYSA-N 0 3 311.433 2.164 20 30 DEEDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3ccccc3C#N)C2)c1 ZINC000289828247 221252916 /nfs/dbraw/zinc/25/29/16/221252916.db2.gz JOZICWNYEDLNJV-MRXNPFEDSA-N 0 3 323.400 2.339 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H]1C ZINC001088867159 781984518 /nfs/dbraw/zinc/98/45/18/781984518.db2.gz HRPNSYQSFAQGKE-PBHICJAKSA-N 0 3 311.429 2.483 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000121148579 195298787 /nfs/dbraw/zinc/29/87/87/195298787.db2.gz CPYDIGVRPQPDNZ-YOEHRIQHSA-N 0 3 300.402 2.111 20 30 DEEDHN N#Cc1cccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000340574021 132023576 /nfs/dbraw/zinc/02/35/76/132023576.db2.gz HABCKSZTBLIAMN-DLBZAZTESA-N 0 3 308.385 2.001 20 30 DEEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccco1 ZINC000353355782 132969339 /nfs/dbraw/zinc/96/93/39/132969339.db2.gz UGPDTCHXWHSKRS-RISCZKNCSA-N 0 3 300.362 2.339 20 30 DEEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCCOC1 ZINC000355345955 133019874 /nfs/dbraw/zinc/01/98/74/133019874.db2.gz NKEKTHMFRUXPDU-FPMFFAJLSA-N 0 3 319.430 2.130 20 30 DEEDHN CS(=O)(=O)CCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360658617 133193340 /nfs/dbraw/zinc/19/33/40/133193340.db2.gz UGPBANAROCTDQA-MRXNPFEDSA-N 0 3 306.431 2.350 20 30 DEEDHN N#Cc1ncccc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000377979168 133352306 /nfs/dbraw/zinc/35/23/06/133352306.db2.gz VKMNHOFIOPAYSX-JKSUJKDBSA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1ncccc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000377979166 133352433 /nfs/dbraw/zinc/35/24/33/133352433.db2.gz VKMNHOFIOPAYSX-HOTGVXAUSA-N 0 3 308.385 2.001 20 30 DEEDHN CCOCC[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373118878 133378423 /nfs/dbraw/zinc/37/84/23/133378423.db2.gz VUAYHXBSUVSXQZ-GOSISDBHSA-N 0 3 300.402 2.435 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)C1 ZINC000329879690 404481113 /nfs/dbraw/zinc/48/11/13/404481113.db2.gz MQBGBUMTOHDIMQ-YCPHGPKFSA-N 0 3 320.437 2.247 20 30 DEEDHN C[C@@H]1CCC[C@@H](CO)N1CCC(=O)Nc1sccc1C#N ZINC000305879426 145348437 /nfs/dbraw/zinc/34/84/37/145348437.db2.gz TWNVGQDNKKNRBI-YPMHNXCESA-N 0 3 307.419 2.184 20 30 DEEDHN CN(C)[C@H](CNC(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000345018454 145969633 /nfs/dbraw/zinc/96/96/33/145969633.db2.gz MCOLTVUHMSIDTQ-IBGZPJMESA-N 0 3 321.424 2.390 20 30 DEEDHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(C#N)c(F)c1 ZINC000346198953 146036893 /nfs/dbraw/zinc/03/68/93/146036893.db2.gz RZSDPDWTDSZDQL-LRDDRELGSA-N 0 3 303.381 2.211 20 30 DEEDHN COc1ccc(CN(CCN(C)C)C[C@H]2CCCO2)cc1C#N ZINC000349064578 146346186 /nfs/dbraw/zinc/34/61/86/146346186.db2.gz VOKGYTOTXCNKKF-QGZVFWFLSA-N 0 3 317.433 2.109 20 30 DEEDHN COCCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000127289388 401727558 /nfs/dbraw/zinc/72/75/58/401727558.db2.gz DEFVBJRXTRKEHN-CKDBGZEDSA-N 0 3 309.454 2.274 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000127364532 401731176 /nfs/dbraw/zinc/73/11/76/401731176.db2.gz VBVFASVDAUNOKU-CVEARBPZSA-N 0 3 321.465 2.466 20 30 DEEDHN CNC(=O)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000074371759 401737014 /nfs/dbraw/zinc/73/70/14/401737014.db2.gz UUAMKYNYFFEGGI-UHFFFAOYSA-N 0 3 323.396 2.363 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccccc1OCC#N ZINC000115441208 401828295 /nfs/dbraw/zinc/82/82/95/401828295.db2.gz KFBXNYGUVBKCSR-CQSZACIVSA-N 0 3 301.390 2.003 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000130993470 401842052 /nfs/dbraw/zinc/84/20/52/401842052.db2.gz KZZVKSYVRGJIFO-GOSISDBHSA-N 0 3 316.445 2.406 20 30 DEEDHN CC[C@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135237858 401931354 /nfs/dbraw/zinc/93/13/54/401931354.db2.gz ANOCPBDMWVSHIZ-KRWDZBQOSA-N 0 3 315.461 2.376 20 30 DEEDHN CCN1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000079647853 401878527 /nfs/dbraw/zinc/87/85/27/401878527.db2.gz WTVKHGNWNUAIGQ-UHFFFAOYSA-N 0 3 303.431 2.251 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](O)c2cccs2)CC1 ZINC000133313838 401881735 /nfs/dbraw/zinc/88/17/35/401881735.db2.gz WAYCSIDFMKGYCV-ZFWWWQNUSA-N 0 3 320.458 2.022 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000046380526 401969408 /nfs/dbraw/zinc/96/94/08/401969408.db2.gz DJNURVRFLWRELF-HNNXBMFYSA-N 0 3 314.433 2.432 20 30 DEEDHN C[C@H](O)[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000089932930 401974274 /nfs/dbraw/zinc/97/42/74/401974274.db2.gz FQPYVIGPUPBWCQ-WCQYABFASA-N 0 3 307.419 2.041 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]([C@@H](C)O)C1 ZINC000089931096 401974510 /nfs/dbraw/zinc/97/45/10/401974510.db2.gz CYHMSJVSTXMCDZ-UKRRQHHQSA-N 0 3 304.390 2.038 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(CC(=O)NC)CC2)cc1 ZINC000093588247 402016379 /nfs/dbraw/zinc/01/63/79/402016379.db2.gz DGUSZGVLTWXDAD-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN C=CCN(C)C(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000121363959 402030876 /nfs/dbraw/zinc/03/08/76/402030876.db2.gz KAOYMXCMVDEEIG-UHFFFAOYSA-N 0 3 303.406 2.111 20 30 DEEDHN CC(C)(CCC#N)CN1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000092673548 402007090 /nfs/dbraw/zinc/00/70/90/402007090.db2.gz MYYMXGZAFTYZBL-CQSZACIVSA-N 0 3 309.479 2.356 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000120956897 402008182 /nfs/dbraw/zinc/00/81/82/402008182.db2.gz UTLJJONGECXMRP-QGZVFWFLSA-N 0 3 302.418 2.158 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)NC1CCN(C)CC1 ZINC000056551831 402090094 /nfs/dbraw/zinc/09/00/94/402090094.db2.gz LGMRYRHSVQFHDH-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCOC1 ZINC000106886198 402220633 /nfs/dbraw/zinc/22/06/33/402220633.db2.gz MJVINFQDYJBNPW-LLVKDONJSA-N 0 3 319.430 2.158 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccn(C)n1)C(C)C ZINC000107053038 402225157 /nfs/dbraw/zinc/22/51/57/402225157.db2.gz ONDMOBMJJLDYHY-CQSZACIVSA-N 0 3 305.426 2.240 20 30 DEEDHN CN1CCC[C@H](CNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000108328083 402249812 /nfs/dbraw/zinc/24/98/12/402249812.db2.gz PCZAQHUVEJECMM-CQSZACIVSA-N 0 3 303.431 2.108 20 30 DEEDHN C=C(C)COc1cc(CN[C@H]2CCC(=O)NC2)ccc1OC ZINC000105481593 402208392 /nfs/dbraw/zinc/20/83/92/402208392.db2.gz YBZJWVZBAJFZDY-AWEZNQCLSA-N 0 3 304.390 2.018 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC000176158520 402285446 /nfs/dbraw/zinc/28/54/46/402285446.db2.gz HCWJPLONHRMHNY-RDJZCZTQSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000176879228 402345358 /nfs/dbraw/zinc/34/53/58/402345358.db2.gz CMBBRVDOLMHSJQ-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN CN1CCN(c2cc(CN[C@@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000185781477 402376501 /nfs/dbraw/zinc/37/65/01/402376501.db2.gz JHKUDNZZCPVAPB-NVXWUHKLSA-N 0 3 313.449 2.005 20 30 DEEDHN COC(=O)COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185833053 402381211 /nfs/dbraw/zinc/38/12/11/402381211.db2.gz VCHSFEVNGAGRFT-UKRRQHHQSA-N 0 3 302.374 2.410 20 30 DEEDHN C=CCc1cc(CNC[C@]2(O)CCSC2)cc(OC)c1O ZINC000176760565 402334233 /nfs/dbraw/zinc/33/42/33/402334233.db2.gz CIMBYVVJHJLBTF-MRXNPFEDSA-N 0 3 309.431 2.087 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000186085682 402399877 /nfs/dbraw/zinc/39/98/77/402399877.db2.gz ZLICKPXPJJYOOO-YOEHRIQHSA-N 0 3 317.433 2.399 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186397956 402427903 /nfs/dbraw/zinc/42/79/03/402427903.db2.gz UCEYDIYWVPVMMK-HRCADAONSA-N 0 3 309.454 2.178 20 30 DEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(C#N)c[nH]1 ZINC000177778161 402435105 /nfs/dbraw/zinc/43/51/05/402435105.db2.gz JXGKGAKQFWTMSM-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(OC)c(C#N)c2)C1(C)C ZINC000186579763 402444223 /nfs/dbraw/zinc/44/42/23/402444223.db2.gz LJSBAYDCEKKGJY-FUHWJXTLSA-N 0 3 318.417 2.223 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000177360418 402394412 /nfs/dbraw/zinc/39/44/12/402394412.db2.gz UINSETOPCPGUMP-ROUUACIJSA-N 0 3 311.429 2.495 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCN2CCCOCC2)c([O-])c1 ZINC000187741782 402510241 /nfs/dbraw/zinc/51/02/41/402510241.db2.gz YCHASOCRELONDV-XDJHFCHBSA-N 0 3 319.449 2.380 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C)(CO)CC1 ZINC000186956568 402473964 /nfs/dbraw/zinc/47/39/64/402473964.db2.gz SRLIXFDQVBSAJQ-QGZVFWFLSA-N 0 3 319.445 2.249 20 30 DEEDHN COc1cc(CN(CCN(C)C)C[C@@H]2CCCO2)ccc1C#N ZINC000349041688 286217683 /nfs/dbraw/zinc/21/76/83/286217683.db2.gz WJEFHWXVPBPZFC-KRWDZBQOSA-N 0 3 317.433 2.109 20 30 DEEDHN Cn1cc(CNCc2ccc(N3CCCC3=O)cc2)cc1C#N ZINC000189578461 402546769 /nfs/dbraw/zinc/54/67/69/402546769.db2.gz INSYWQNOAFFIIF-UHFFFAOYSA-N 0 3 308.385 2.313 20 30 DEEDHN COCCCN1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171098394 402557621 /nfs/dbraw/zinc/55/76/21/402557621.db2.gz PLMNRRLKKXGTMQ-UHFFFAOYSA-N 0 3 316.405 2.181 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(OCC#N)cc1 ZINC000178742461 402533020 /nfs/dbraw/zinc/53/30/20/402533020.db2.gz XADSKNIOKPJIDC-UHFFFAOYSA-N 0 3 318.421 2.071 20 30 DEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CCOC1 ZINC000178755722 402535126 /nfs/dbraw/zinc/53/51/26/402535126.db2.gz BINFPWGHAMKREA-NDUQDZPOSA-N 0 3 321.465 2.274 20 30 DEEDHN CCOC(=O)N1CCC([C@H](C)NCc2ccc(C#N)o2)CC1 ZINC000189365669 402535428 /nfs/dbraw/zinc/53/54/28/402535428.db2.gz NITKQZURRBAAAR-LBPRGKRZSA-N 0 3 305.378 2.498 20 30 DEEDHN C=CCN1CCC(NC(=O)CSC[C@@H]2CCCCO2)CC1 ZINC000171715215 402613787 /nfs/dbraw/zinc/61/37/87/402613787.db2.gz QPVAVWSLMUFBBH-HNNXBMFYSA-N 0 3 312.479 2.055 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccc(F)cc2F)CC1 ZINC000171719307 402614439 /nfs/dbraw/zinc/61/44/39/402614439.db2.gz JWNQVRDAKWWJLE-UHFFFAOYSA-N 0 3 310.344 2.110 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2cccc(C(C)=O)c2)CC1 ZINC000171726474 402614902 /nfs/dbraw/zinc/61/49/02/402614902.db2.gz LZGVMMJHWGFKPD-UHFFFAOYSA-N 0 3 316.401 2.035 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000171725852 402615001 /nfs/dbraw/zinc/61/50/01/402615001.db2.gz HAAUGHOAIOEEGX-UHFFFAOYSA-N 0 3 303.362 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000171725117 402615019 /nfs/dbraw/zinc/61/50/19/402615019.db2.gz JBJLNRPDCBFRCX-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(OC)ccc2OC)CC1 ZINC000171726127 402615095 /nfs/dbraw/zinc/61/50/95/402615095.db2.gz UORQUCQJQFYFJI-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cnc(C)s2)CC1 ZINC000171736549 402616740 /nfs/dbraw/zinc/61/67/40/402616740.db2.gz INRLGOHYNCLENW-UHFFFAOYSA-N 0 3 308.451 2.243 20 30 DEEDHN C[C@@H]1Cc2ccccc2[C@@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000180867277 402628701 /nfs/dbraw/zinc/62/87/01/402628701.db2.gz RQROFSCSPGNPEV-IIVCHENPSA-N 0 3 311.385 2.036 20 30 DEEDHN CC(C)OCCOC[C@@H](O)CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000250204552 402645536 /nfs/dbraw/zinc/64/55/36/402645536.db2.gz GZSLXWMZSCTUPM-QAPCUYQASA-N 0 3 320.433 2.354 20 30 DEEDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191268325 402656256 /nfs/dbraw/zinc/65/62/56/402656256.db2.gz VNSBMIBTCZUQNU-ZBFHGGJFSA-N 0 3 316.449 2.414 20 30 DEEDHN C[C@H](CNC(=O)/C=C\c1ccc(OCC#N)cc1)N(C)C1CC1 ZINC000255693702 402694544 /nfs/dbraw/zinc/69/45/44/402694544.db2.gz WLDIAKMKPBVNPG-XTXQVDMPSA-N 0 3 313.401 2.201 20 30 DEEDHN C=CCc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)cc(OC)c1OC ZINC000262789807 402731895 /nfs/dbraw/zinc/73/18/95/402731895.db2.gz NASIGMJMLRYNHH-CHWSQXEVSA-N 0 3 318.417 2.255 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCCO2)c(C#N)c1C ZINC000183128557 402742017 /nfs/dbraw/zinc/74/20/17/402742017.db2.gz CYHDEMOEIBGISC-SUNKGSAMSA-N 0 3 305.378 2.252 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)C12CCCC2 ZINC000450971091 286277965 /nfs/dbraw/zinc/27/79/65/286277965.db2.gz OUHXXMSQGAPSJK-BZUAXINKSA-N 0 3 321.465 2.322 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2ccccc2)CC1 ZINC000264409678 402875737 /nfs/dbraw/zinc/87/57/37/402875737.db2.gz QRMFPJNQJPHQNI-KRWDZBQOSA-N 0 3 317.433 2.060 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc(OC)c2)CC1 ZINC000264435357 402878157 /nfs/dbraw/zinc/87/81/57/402878157.db2.gz VJTVTEXEEPBVIO-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN CCN1CCN([C@@H]2CCN(c3ccc(Cl)cc3C#N)C2)CC1 ZINC000264446625 402879428 /nfs/dbraw/zinc/87/94/28/402879428.db2.gz XWYAUXCCTNGGKT-MRXNPFEDSA-N 0 3 318.852 2.428 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000278921159 402886102 /nfs/dbraw/zinc/88/61/02/402886102.db2.gz KMZMWDDBZJDXCN-QZTJIDSGSA-N 0 3 309.413 2.347 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000278970718 402891906 /nfs/dbraw/zinc/89/19/06/402891906.db2.gz XPEXOEAYQGSVGK-LJQANCHMSA-N 0 3 316.445 2.267 20 30 DEEDHN CN(C[C@H]1CCCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279406536 402939684 /nfs/dbraw/zinc/93/96/84/402939684.db2.gz BQTWEKNJVBGWLM-DLBZAZTESA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@]1(NCC(=O)Nc2sccc2C#N)CCO[C@@H]1C1CC1 ZINC000273042635 402965198 /nfs/dbraw/zinc/96/51/98/402965198.db2.gz IVZGQTKNOYMLAP-HIFRSBDPSA-N 0 3 305.403 2.105 20 30 DEEDHN Cc1cnccc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280037247 402966491 /nfs/dbraw/zinc/96/64/91/402966491.db2.gz LICITDREXWPMPT-SFHVURJKSA-N 0 3 318.380 2.303 20 30 DEEDHN Cc1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000280032940 402966575 /nfs/dbraw/zinc/96/65/75/402966575.db2.gz LCPHUBXPGHNUBR-HNNXBMFYSA-N 0 3 324.409 2.364 20 30 DEEDHN CCCCOCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000265359149 402912241 /nfs/dbraw/zinc/91/22/41/402912241.db2.gz AMPXQMWVQPSHHR-UHFFFAOYSA-N 0 3 317.433 2.265 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N(C)C1CC1 ZINC000279210375 402916997 /nfs/dbraw/zinc/91/69/97/402916997.db2.gz KWGHCMAODGEFPQ-LBPRGKRZSA-N 0 3 324.384 2.426 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H]3CCC[C@H]32)cc1 ZINC000279268582 402924679 /nfs/dbraw/zinc/92/46/79/402924679.db2.gz IXSUQTRILUVKGR-ZACQAIPSSA-N 0 3 309.369 2.020 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000279351487 402933658 /nfs/dbraw/zinc/93/36/58/402933658.db2.gz FHWDSHPYGJIFGI-LPHOPBHVSA-N 0 3 316.445 2.437 20 30 DEEDHN CN(C)C/C=C/C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000265616596 402933781 /nfs/dbraw/zinc/93/37/81/402933781.db2.gz GMVZIQJTDVEVDT-WEVVVXLNSA-N 0 3 310.319 2.291 20 30 DEEDHN C=CCCCN(C)CC(=O)NCc1cccc(OCCOC)c1 ZINC000265638084 402935871 /nfs/dbraw/zinc/93/58/71/402935871.db2.gz RDGIVYUEAOQFIJ-UHFFFAOYSA-N 0 3 320.433 2.226 20 30 DEEDHN C=C(C)CN1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000266918537 402999832 /nfs/dbraw/zinc/99/98/32/402999832.db2.gz LCYSQFPZOZLADN-UHFFFAOYSA-N 0 3 303.450 2.325 20 30 DEEDHN Cc1oc(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c(C#N)c1C ZINC000273109355 402972135 /nfs/dbraw/zinc/97/21/35/402972135.db2.gz XGBFBWAPFPPABD-NVXWUHKLSA-N 0 3 317.389 2.254 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@H](O)c2ccccc2)CC1 ZINC000266537787 402972209 /nfs/dbraw/zinc/97/22/09/402972209.db2.gz QJBPRTQEKNNFMF-KRWDZBQOSA-N 0 3 317.433 2.060 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c(C#N)c1C ZINC000273109360 402972332 /nfs/dbraw/zinc/97/23/32/402972332.db2.gz XGBFBWAPFPPABD-WBVHZDCISA-N 0 3 317.389 2.254 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000268153787 403055378 /nfs/dbraw/zinc/05/53/78/403055378.db2.gz NFRZFNCZFRPOBH-DYVFJYSZSA-N 0 3 312.417 2.182 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccn3ccnc3c2)CC1 ZINC000280988419 403056244 /nfs/dbraw/zinc/05/62/44/403056244.db2.gz LPZGQELLEOWMBU-UHFFFAOYSA-N 0 3 313.405 2.496 20 30 DEEDHN C#CCCCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268278119 403069622 /nfs/dbraw/zinc/06/96/22/403069622.db2.gz ONYZUOLKIPDRBB-UHFFFAOYSA-N 0 3 313.445 2.188 20 30 DEEDHN C=CCN1CC[C@H](NC(C)(C)COCc2ccccc2)C1=O ZINC000281525639 403070799 /nfs/dbraw/zinc/07/07/99/403070799.db2.gz VUIFEIZXWXANNG-INIZCTEOSA-N 0 3 302.418 2.358 20 30 DEEDHN C#C[C@@H](C)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000274770034 403085741 /nfs/dbraw/zinc/08/57/41/403085741.db2.gz RLDVYCRIMDMDCL-OAHLLOKOSA-N 0 3 314.433 2.280 20 30 DEEDHN N#CCOc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000268979654 403122117 /nfs/dbraw/zinc/12/21/17/403122117.db2.gz QHDARRLMTCYMDU-JKSUJKDBSA-N 0 3 304.415 2.295 20 30 DEEDHN C=CCCN(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000276020805 403140098 /nfs/dbraw/zinc/14/00/98/403140098.db2.gz CFFZLXYKGNAMAP-UHFFFAOYSA-N 0 3 301.434 2.303 20 30 DEEDHN C=CCOc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1OC ZINC000276085536 403144796 /nfs/dbraw/zinc/14/47/96/403144796.db2.gz XNJUOQMVWFOAPC-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN N#Cc1cc(N2CCN(C3CCCC3)CC2)cc(N)c1[N+](=O)[O-] ZINC000283665934 403213641 /nfs/dbraw/zinc/21/36/41/403213641.db2.gz WJFQBLYUXWRNPV-UHFFFAOYSA-N 0 3 315.377 2.113 20 30 DEEDHN C#CC(C)(C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271076855 403261356 /nfs/dbraw/zinc/26/13/56/403261356.db2.gz ZTCNFIQXDAUBDC-UHFFFAOYSA-N 0 3 314.429 2.033 20 30 DEEDHN COC(=O)CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285540960 403322317 /nfs/dbraw/zinc/32/23/17/403322317.db2.gz QNYBVRQHXRLYIR-UHFFFAOYSA-N 0 3 320.364 2.494 20 30 DEEDHN COCCSCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292239033 403331071 /nfs/dbraw/zinc/33/10/71/403331071.db2.gz QBNGJXWYNZPWJO-OAHLLOKOSA-N 0 3 321.446 2.176 20 30 DEEDHN N#Cc1ccncc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000345435458 403333693 /nfs/dbraw/zinc/33/36/93/403333693.db2.gz QJEWBKUIPNDTAC-MRXNPFEDSA-N 0 3 320.396 2.205 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000285719416 403365596 /nfs/dbraw/zinc/36/55/96/403365596.db2.gz FKYXULNVKSOYNH-KRWDZBQOSA-N 0 3 300.406 2.354 20 30 DEEDHN CN1CCC[C@@]2(CCN(c3cc(C#N)ccc3[N+](=O)[O-])C2)C1 ZINC000292661936 403373054 /nfs/dbraw/zinc/37/30/54/403373054.db2.gz CKFKDGWMGWLGPA-MRXNPFEDSA-N 0 3 300.362 2.389 20 30 DEEDHN CC(C)(C)CC[C@@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000342856480 403374657 /nfs/dbraw/zinc/37/46/57/403374657.db2.gz YYBCFKONWQEQSJ-AWEZNQCLSA-N 0 3 300.406 2.483 20 30 DEEDHN C[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 ZINC000298477390 403391235 /nfs/dbraw/zinc/39/12/35/403391235.db2.gz BVIQSJSXHMWDCX-HUUCEWRRSA-N 0 3 315.417 2.174 20 30 DEEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)N1C ZINC000339617421 403393113 /nfs/dbraw/zinc/39/31/13/403393113.db2.gz NSZLSYYVVATDJS-GJZGRUSLSA-N 0 3 323.444 2.483 20 30 DEEDHN CN(C)[C@]1(CNC(=O)c2cc(C#N)ccc2Cl)CCSC1 ZINC000285917444 403409956 /nfs/dbraw/zinc/40/99/56/403409956.db2.gz CEMOFHBWHJEZAP-HNNXBMFYSA-N 0 3 323.849 2.379 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2([C@H](C)CCO)CCC2)CC1 ZINC000342988076 403419403 /nfs/dbraw/zinc/41/94/03/403419403.db2.gz GZWINYQPYRGILK-OAHLLOKOSA-N 0 3 323.481 2.125 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000345676742 403432736 /nfs/dbraw/zinc/43/27/36/403432736.db2.gz VHEOKXRSPJCJGA-VHSXEESVSA-N 0 3 311.179 2.492 20 30 DEEDHN CCN(Cc1ccncc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000298677369 403437542 /nfs/dbraw/zinc/43/75/42/403437542.db2.gz MFPLXHWBEJSPST-KRWDZBQOSA-N 0 3 311.385 2.215 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](CO)CC1 ZINC000339750443 403438191 /nfs/dbraw/zinc/43/81/91/403438191.db2.gz YLIRGBGSPBNYBN-LBPRGKRZSA-N 0 3 307.419 2.043 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCOC1)C(C)C ZINC000298698205 403441740 /nfs/dbraw/zinc/44/17/40/403441740.db2.gz VKMKDMCEWWMQCH-CVEARBPZSA-N 0 3 309.454 2.021 20 30 DEEDHN C=CCNC(=O)c1ccc(N(CCC)CCN2CCCC2)nc1 ZINC000343271880 403520095 /nfs/dbraw/zinc/52/00/95/403520095.db2.gz PJJIYAXSLMGSAK-UHFFFAOYSA-N 0 3 316.449 2.310 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000299639674 403563949 /nfs/dbraw/zinc/56/39/49/403563949.db2.gz PQXQMAXCYVJUEF-HNNXBMFYSA-N 0 3 322.412 2.265 20 30 DEEDHN C=CCOCCCN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000346877914 403606666 /nfs/dbraw/zinc/60/66/66/403606666.db2.gz MUZVDASAIYJVEI-AEFFLSMTSA-N 0 3 315.417 2.068 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)nn1C(CC)CC ZINC000293967326 403612092 /nfs/dbraw/zinc/61/20/92/403612092.db2.gz LRGCMGFTXKOBGR-UHFFFAOYSA-N 0 3 304.438 2.238 20 30 DEEDHN CN1CCC[C@@H](N2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000301296924 403612402 /nfs/dbraw/zinc/61/24/02/403612402.db2.gz YGYPBGYINMHCTI-MRXNPFEDSA-N 0 3 318.852 2.428 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000347109536 403616324 /nfs/dbraw/zinc/61/63/24/403616324.db2.gz PRQOTMACLFWMDR-QWRGUYRKSA-N 0 3 322.206 2.304 20 30 DEEDHN COCCNC(=O)[C@@H](CC(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000347259308 403640253 /nfs/dbraw/zinc/64/02/53/403640253.db2.gz CVMHIDRQKRBUAF-WMLDXEAASA-N 0 3 317.433 2.386 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294257998 403686058 /nfs/dbraw/zinc/68/60/58/403686058.db2.gz UWFJSQWCBCDVRR-GDBMZVCRSA-N 0 3 324.783 2.038 20 30 DEEDHN C[C@H]1CCN(c2ccc(C#N)nn2)CCN1Cc1ccccc1 ZINC000302019153 403706945 /nfs/dbraw/zinc/70/69/45/403706945.db2.gz ZUSRLNADQRSDLR-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCN1C ZINC000343581364 403649363 /nfs/dbraw/zinc/64/93/63/403649363.db2.gz ZBMLTURWPZXHML-CJNGLKHVSA-N 0 3 315.417 2.315 20 30 DEEDHN CC(C)N(CCN(C)C)c1ncc(Br)cc1C#N ZINC000295138386 403770635 /nfs/dbraw/zinc/77/06/35/403770635.db2.gz ZDQBJNHRUIJAFS-UHFFFAOYSA-N 0 3 311.227 2.492 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)c1coc2c1C(=O)CCC2 ZINC000294721236 403725669 /nfs/dbraw/zinc/72/56/69/403725669.db2.gz MQUAWUYBSKJSCW-UHFFFAOYSA-N 0 3 317.389 2.106 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000288476013 403756180 /nfs/dbraw/zinc/75/61/80/403756180.db2.gz PTWMCXANQCOFIL-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CCNC(C)=O)C1 ZINC000347683059 403804060 /nfs/dbraw/zinc/80/40/60/403804060.db2.gz PPJWIEHOCVQARO-NVXWUHKLSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000305095723 403828270 /nfs/dbraw/zinc/82/82/70/403828270.db2.gz SDSPKIWWFBTQSL-SFHVURJKSA-N 0 3 316.445 2.470 20 30 DEEDHN Cc1cccc(OC[C@H](O)CNCc2cc(C#N)cs2)c1 ZINC000304674243 403799138 /nfs/dbraw/zinc/79/91/38/403799138.db2.gz XITQBPZIDCZCOR-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCCN1C ZINC000354614898 403906231 /nfs/dbraw/zinc/90/62/31/403906231.db2.gz FXTISGXIRASLRA-LRDDRELGSA-N 0 3 315.392 2.328 20 30 DEEDHN C=CCOc1cccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000362086159 403924081 /nfs/dbraw/zinc/92/40/81/403924081.db2.gz IHLFBGOVPKWNKN-SFHVURJKSA-N 0 3 321.417 2.434 20 30 DEEDHN CO[C@@H]1C[C@H](CN2CCCC2)N(c2nccc(C#N)c2Cl)C1 ZINC000347902700 403942349 /nfs/dbraw/zinc/94/23/49/403942349.db2.gz BOLRFMKVUVPMGM-ZIAGYGMSSA-N 0 3 320.824 2.296 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000289611949 403988168 /nfs/dbraw/zinc/98/81/68/403988168.db2.gz AOIHJKMSXBLHID-UHFFFAOYSA-N 0 3 317.437 2.460 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCCN1C ZINC000344230660 403992733 /nfs/dbraw/zinc/99/27/33/403992733.db2.gz DHMQISFGOCFRJS-CJNGLKHVSA-N 0 3 300.406 2.182 20 30 DEEDHN CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000295969323 404033186 /nfs/dbraw/zinc/03/31/86/404033186.db2.gz NSPVVHFRQGOUNZ-UHFFFAOYSA-N 0 3 324.432 2.274 20 30 DEEDHN C=CCOCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000354816952 404033261 /nfs/dbraw/zinc/03/32/61/404033261.db2.gz VHOYRLAQUVHOCP-QGZVFWFLSA-N 0 3 302.418 2.451 20 30 DEEDHN CN(CC[C@H]1CCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348512067 404074039 /nfs/dbraw/zinc/07/40/39/404074039.db2.gz TYUMKLQLLRVZOQ-DLBZAZTESA-N 0 3 311.385 2.268 20 30 DEEDHN C#C[C@@H](NCc1c(C)nn(CCC(=O)OC)c1C)C(C)(C)C ZINC000290223743 404088529 /nfs/dbraw/zinc/08/85/29/404088529.db2.gz RYUNWRMMXOMQRS-OAHLLOKOSA-N 0 3 305.422 2.201 20 30 DEEDHN C=C[C@@H](C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000354840308 404047060 /nfs/dbraw/zinc/04/70/60/404047060.db2.gz HDSSXWPCDHNITF-CQSZACIVSA-N 0 3 312.417 2.416 20 30 DEEDHN C#Cc1ccc(CN(CCO)CCOCC(F)(F)F)cc1 ZINC000290128688 404053470 /nfs/dbraw/zinc/05/34/70/404053470.db2.gz UUARIVDGCQAXAW-UHFFFAOYSA-N 0 3 301.308 2.041 20 30 DEEDHN C[C@@H](Cc1ccncc1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348291235 404055825 /nfs/dbraw/zinc/05/58/25/404055825.db2.gz APAYVPSEOXTWTE-KBXCAEBGSA-N 0 3 318.380 2.383 20 30 DEEDHN C=CCOCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000354941162 404114132 /nfs/dbraw/zinc/11/41/32/404114132.db2.gz GZTWOEAHNGROQX-UHFFFAOYSA-N 0 3 303.406 2.334 20 30 DEEDHN COC(=O)[C@]1(C)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000412088404 404124984 /nfs/dbraw/zinc/12/49/84/404124984.db2.gz BJSCMYBJVVZELX-QGZVFWFLSA-N 0 3 302.374 2.212 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC2(CN(C)C)CCC2)cc1 ZINC000296199133 404139057 /nfs/dbraw/zinc/13/90/57/404139057.db2.gz MPMXQGCSUZWYQZ-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290411587 404157049 /nfs/dbraw/zinc/15/70/49/404157049.db2.gz FMKICQIFXRCTGU-SJLPKXTDSA-N 0 3 302.418 2.046 20 30 DEEDHN CCn1cccc(CNC(=O)C2CCN(C3CC3)CC2)c1=O ZINC000328787174 404151643 /nfs/dbraw/zinc/15/16/43/404151643.db2.gz WZOPRAGRANWRJJ-UHFFFAOYSA-N 0 3 303.406 2.199 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000296210795 404146599 /nfs/dbraw/zinc/14/65/99/404146599.db2.gz MLVNEDDPBXSSND-USXIJHARSA-N 0 3 311.385 2.044 20 30 DEEDHN C=CCn1c(C)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC000290538568 404212292 /nfs/dbraw/zinc/21/22/92/404212292.db2.gz XSQJBFGTDIERKE-UHFFFAOYSA-N 0 3 311.433 2.485 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000329073590 404221316 /nfs/dbraw/zinc/22/13/16/404221316.db2.gz OXPIQHNJPDOWLB-UTLUCORTSA-N 0 3 307.316 2.335 20 30 DEEDHN N#Cc1c2c(sc1NC(=O)CCN1CCCOCC1)CCC2 ZINC000363379776 404158029 /nfs/dbraw/zinc/15/80/29/404158029.db2.gz WWXFZPQTCKMVDS-UHFFFAOYSA-N 0 3 319.430 2.159 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000290411582 404158304 /nfs/dbraw/zinc/15/83/04/404158304.db2.gz FMKICQIFXRCTGU-FUHWJXTLSA-N 0 3 302.418 2.046 20 30 DEEDHN CO[C@@H](C)[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000290457921 404175878 /nfs/dbraw/zinc/17/58/78/404175878.db2.gz FGZKMUKQGOZBGO-DVOMOZLQSA-N 0 3 301.390 2.067 20 30 DEEDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000296278509 404176623 /nfs/dbraw/zinc/17/66/23/404176623.db2.gz YRQUYZINFFORJQ-LSDHHAIUSA-N 0 3 314.433 2.301 20 30 DEEDHN C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)C1=CCN(C)CC1 ZINC000328993670 404193970 /nfs/dbraw/zinc/19/39/70/404193970.db2.gz GBBDBJQJPHNDKK-NWANDNLSSA-N 0 3 318.421 2.105 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000329120817 404236331 /nfs/dbraw/zinc/23/63/31/404236331.db2.gz KHSPTCRAJQUDCM-HPFXQQBRSA-N 0 3 323.481 2.400 20 30 DEEDHN Cc1c(NC(=O)N2CCN3CCC[C@@H]3C2)cnn1CC(C)C ZINC000329142537 404243454 /nfs/dbraw/zinc/24/34/54/404243454.db2.gz VANLYCHBFZSUNP-CQSZACIVSA-N 0 3 305.426 2.173 20 30 DEEDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329170743 404253508 /nfs/dbraw/zinc/25/35/08/404253508.db2.gz JTGDJUZSWCLLGP-GHMZBOCLSA-N 0 3 309.435 2.361 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000329215784 404268219 /nfs/dbraw/zinc/26/82/19/404268219.db2.gz NHOGNLVHFMNCAL-STQMWFEESA-N 0 3 306.410 2.093 20 30 DEEDHN C=CCOc1ccc(CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000349947458 404270155 /nfs/dbraw/zinc/27/01/55/404270155.db2.gz WLZMMIPUVBAGPT-SFHVURJKSA-N 0 3 310.397 2.438 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000296489331 404273442 /nfs/dbraw/zinc/27/34/42/404273442.db2.gz XXSVJRIFNBPLTI-MRXNPFEDSA-N 0 3 315.417 2.155 20 30 DEEDHN COc1cnc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)s1 ZINC000329236710 404274687 /nfs/dbraw/zinc/27/46/87/404274687.db2.gz JQVKWYCKUQMUPK-WDEREUQCSA-N 0 3 310.423 2.256 20 30 DEEDHN C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329280308 404289570 /nfs/dbraw/zinc/28/95/70/404289570.db2.gz DOQFJCHTRIMLSA-UKRRQHHQSA-N 0 3 317.433 2.454 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC[C@H]2COc2ccccc2)C1=O ZINC000296393757 404228430 /nfs/dbraw/zinc/22/84/30/404228430.db2.gz SSWYYXBHNWOJLI-DOTOQJQBSA-N 0 3 300.402 2.317 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CSc2nnc3ccccn32)CCN1C ZINC000329435378 404334514 /nfs/dbraw/zinc/33/45/14/404334514.db2.gz IUCRAWDVENXQJW-NEPJUHHUSA-N 0 3 319.434 2.261 20 30 DEEDHN CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H](C)C2=CCN(C)CC2)CCO1 ZINC000329311739 404297937 /nfs/dbraw/zinc/29/79/37/404297937.db2.gz GHYBNNSIHRRJGQ-IMJJTQAJSA-N 0 3 309.454 2.344 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cccc3c2OCCC3=O)CCN1C ZINC000329333137 404305050 /nfs/dbraw/zinc/30/50/50/404305050.db2.gz JZWMUHRBSCYYLK-NEPJUHHUSA-N 0 3 317.389 2.460 20 30 DEEDHN C=CC[C@@H]1N(CC(=O)N[C@H](C(=O)OC)C(C)C)CCCC1(C)C ZINC000352368493 404321559 /nfs/dbraw/zinc/32/15/59/404321559.db2.gz IPKRAMANYREZAL-HOCLYGCPSA-N 0 3 324.465 2.367 20 30 DEEDHN CC(C)Cn1ccnc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329701890 404427813 /nfs/dbraw/zinc/42/78/13/404427813.db2.gz HQEYXNITWSPFDE-CQSZACIVSA-N 0 3 319.453 2.193 20 30 DEEDHN CC(C)N1CCC[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000329568736 404379732 /nfs/dbraw/zinc/37/97/32/404379732.db2.gz IDLFNALXSNQJCF-KGLIPLIRSA-N 0 3 316.467 2.031 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000350453479 404391510 /nfs/dbraw/zinc/39/15/10/404391510.db2.gz FXPCRYURNBIMSA-ROUUACIJSA-N 0 3 319.364 2.090 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H](n2cc(C)cn2)C1 ZINC000329611065 404392522 /nfs/dbraw/zinc/39/25/22/404392522.db2.gz NZCBRPHWYMVORT-CVEARBPZSA-N 0 3 319.453 2.227 20 30 DEEDHN CS[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H]1N1CCCC1 ZINC000352472387 404395748 /nfs/dbraw/zinc/39/57/48/404395748.db2.gz CRUFOMNJQOUHKG-UONOGXRCSA-N 0 3 307.463 2.109 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000296987886 404402487 /nfs/dbraw/zinc/40/24/87/404402487.db2.gz FCDGANKCVURXFW-OAHLLOKOSA-N 0 3 302.418 2.052 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000350560712 404419200 /nfs/dbraw/zinc/41/92/00/404419200.db2.gz UWNKPMBHJLLESP-DOTOQJQBSA-N 0 3 314.433 2.310 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CCC2)cc1 ZINC000350949196 404497219 /nfs/dbraw/zinc/49/72/19/404497219.db2.gz KJBFKOMGGWFBRV-NSHDSACASA-N 0 3 321.402 2.294 20 30 DEEDHN Cn1cc(CNC[C@H](CO)c2ccccc2Cl)cc1C#N ZINC000342311207 404500317 /nfs/dbraw/zinc/50/03/17/404500317.db2.gz VKJPCFIGBPJSFV-CYBMUJFWSA-N 0 3 303.793 2.416 20 30 DEEDHN COCC1(C)CCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)CC1 ZINC000329964744 404509542 /nfs/dbraw/zinc/50/95/42/404509542.db2.gz UBCXCQPBZWYAOB-CQSZACIVSA-N 0 3 320.437 2.108 20 30 DEEDHN CC(C)[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329739531 404436899 /nfs/dbraw/zinc/43/68/99/404436899.db2.gz UXEAGKZYHHDILV-RISCZKNCSA-N 0 3 308.451 2.254 20 30 DEEDHN CC(C)[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CCS1 ZINC000329739531 404436908 /nfs/dbraw/zinc/43/69/08/404436908.db2.gz UXEAGKZYHHDILV-RISCZKNCSA-N 0 3 308.451 2.254 20 30 DEEDHN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 ZINC000330002973 404523295 /nfs/dbraw/zinc/52/32/95/404523295.db2.gz BKNCCIRSECOEBI-SOUVJXGZSA-N 0 3 322.449 2.449 20 30 DEEDHN COC1CCC(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000329821954 404462327 /nfs/dbraw/zinc/46/23/27/404462327.db2.gz YXKREVJYIXGKRW-ADNDVJRGSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000330215347 404587841 /nfs/dbraw/zinc/58/78/41/404587841.db2.gz GXQOWXZOQAKTHP-RFJMFJJWSA-N 0 3 323.437 2.482 20 30 DEEDHN CC(C)(CC#N)CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000414172126 404533784 /nfs/dbraw/zinc/53/37/84/404533784.db2.gz VOJPLEKZFMVPBK-HNNXBMFYSA-N 0 3 321.446 2.241 20 30 DEEDHN CSc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cnn1C ZINC000330040815 404536020 /nfs/dbraw/zinc/53/60/20/404536020.db2.gz FXPYSWMCEFPNQZ-NSHDSACASA-N 0 3 308.451 2.464 20 30 DEEDHN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCn3ccnc3C2)on1 ZINC000330176691 404574738 /nfs/dbraw/zinc/57/47/38/404574738.db2.gz CLROYPAMRWNWEQ-OLZOCXBDSA-N 0 3 315.377 2.245 20 30 DEEDHN CCC[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N(C)C ZINC000356539988 404580013 /nfs/dbraw/zinc/58/00/13/404580013.db2.gz YWCUUIUDYZQOAH-KRWDZBQOSA-N 0 3 317.433 2.264 20 30 DEEDHN N#CC1(CCCN2CCC[C@H]2[C@H](O)C(F)(F)F)CCOCC1 ZINC000330373014 404641558 /nfs/dbraw/zinc/64/15/58/404641558.db2.gz AUVJYHXSFIGZTB-STQMWFEESA-N 0 3 320.355 2.475 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000356626225 404626691 /nfs/dbraw/zinc/62/66/91/404626691.db2.gz RPEHVCSMNVDIQS-IAGOWNOFSA-N 0 3 319.493 2.217 20 30 DEEDHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000330337895 404630290 /nfs/dbraw/zinc/63/02/90/404630290.db2.gz UPDQZEXODQFWMX-BZUAXINKSA-N 0 3 311.470 2.426 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000345237328 404630526 /nfs/dbraw/zinc/63/05/26/404630526.db2.gz NOAFHAORPFPMNB-ABAIWWIYSA-N 0 3 300.337 2.267 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000330551195 404686215 /nfs/dbraw/zinc/68/62/15/404686215.db2.gz DYKLYFCNBTZYJD-CABCVRRESA-N 0 3 314.433 2.301 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC000357815887 404744240 /nfs/dbraw/zinc/74/42/40/404744240.db2.gz FLUVSXPKWVVGPP-AWEZNQCLSA-N 0 3 318.417 2.229 20 30 DEEDHN CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000353134477 404750983 /nfs/dbraw/zinc/75/09/83/404750983.db2.gz HQAJFQSZZNAGNM-HOCLYGCPSA-N 0 3 303.381 2.480 20 30 DEEDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2c(F)cccc2C#N)CCN1C ZINC000353232175 404777686 /nfs/dbraw/zinc/77/76/86/404777686.db2.gz SEGCITLMWOSDCJ-JSGCOSHPSA-N 0 3 303.381 2.181 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415020440 404789528 /nfs/dbraw/zinc/78/95/28/404789528.db2.gz GGRUMRXQYDDDJB-CYBMUJFWSA-N 0 3 315.417 2.132 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000360077385 404816902 /nfs/dbraw/zinc/81/69/02/404816902.db2.gz YTPFUTHPLJVUTO-JKSUJKDBSA-N 0 3 300.406 2.240 20 30 DEEDHN C=CCCCC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000360154462 404820619 /nfs/dbraw/zinc/82/06/19/404820619.db2.gz SHFAXYYYGVXWSR-SFHVURJKSA-N 0 3 302.418 2.096 20 30 DEEDHN C=CCCCC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000360154461 404820670 /nfs/dbraw/zinc/82/06/70/404820670.db2.gz SHFAXYYYGVXWSR-GOSISDBHSA-N 0 3 302.418 2.096 20 30 DEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)c(F)c1 ZINC000434434433 404896299 /nfs/dbraw/zinc/89/62/99/404896299.db2.gz HVJJRPVAUFUBAF-PRHODGIISA-N 0 3 312.728 2.359 20 30 DEEDHN CS(=O)(=O)C1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360872238 404841728 /nfs/dbraw/zinc/84/17/28/404841728.db2.gz LWMHKFWASREQJE-MRXNPFEDSA-N 0 3 318.442 2.493 20 30 DEEDHN CC(C)c1ccc(OCCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424090833 405003161 /nfs/dbraw/zinc/00/31/61/405003161.db2.gz LLYUSTGOUROWTA-MRXNPFEDSA-N 0 3 303.406 2.326 20 30 DEEDHN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424099204 405006089 /nfs/dbraw/zinc/00/60/89/405006089.db2.gz IQWAUAYDIARALP-CQSZACIVSA-N 0 3 316.405 2.093 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc2c(cc1OC)OCO2 ZINC000435744207 405008710 /nfs/dbraw/zinc/00/87/10/405008710.db2.gz WFPLJRSBBRZZFK-YVEFUNNKSA-N 0 3 305.374 2.495 20 30 DEEDHN CSc1cc2c(cc1NC(=O)[C@@H](N)CCCC#N)OCCO2 ZINC000424115457 405011225 /nfs/dbraw/zinc/01/12/25/405011225.db2.gz VFKLMNCMILMVIW-JTQLQIEISA-N 0 3 321.402 2.139 20 30 DEEDHN Cc1cccc(NC2CCN(C(=O)[C@H](N)CCCC#N)CC2)c1 ZINC000424143949 405021006 /nfs/dbraw/zinc/02/10/06/405021006.db2.gz KJCNUYSVOGFDKJ-QGZVFWFLSA-N 0 3 314.433 2.419 20 30 DEEDHN COc1ccccc1C[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424143776 405021322 /nfs/dbraw/zinc/02/13/22/405021322.db2.gz RKSJQKWIDPYKLC-ZFWWWQNUSA-N 0 3 303.406 2.106 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1C ZINC000424149316 405022138 /nfs/dbraw/zinc/02/21/38/405022138.db2.gz GUPAWBLMEDPPHX-HUUCEWRRSA-N 0 3 303.406 2.290 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000424192459 405035251 /nfs/dbraw/zinc/03/52/51/405035251.db2.gz OYPKMBHJGGYASF-MRXNPFEDSA-N 0 3 318.396 2.250 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424037586 404978804 /nfs/dbraw/zinc/97/88/04/404978804.db2.gz JXRIXOYNLXCNRL-GOEBONIOSA-N 0 3 306.381 2.062 20 30 DEEDHN CN(C)C1(CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000416305401 405096187 /nfs/dbraw/zinc/09/61/87/405096187.db2.gz BDMOIRWRBNFTOX-UHFFFAOYSA-N 0 3 322.206 2.145 20 30 DEEDHN COC1(CN2CCN(c3ccc(C#N)cn3)CC2)CCCC1 ZINC000361492766 405099307 /nfs/dbraw/zinc/09/93/07/405099307.db2.gz LUAXWNUEOPPVEV-UHFFFAOYSA-N 0 3 300.406 2.034 20 30 DEEDHN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C(C)C#N)n1 ZINC000361386780 405050909 /nfs/dbraw/zinc/05/09/09/405050909.db2.gz OWYHWLFOYZXMNC-KOLCDFICSA-N 0 3 307.375 2.143 20 30 DEEDHN C=CCn1cc(CNC2CCC(c3nc(CC)no3)CC2)nn1 ZINC000424301099 405063554 /nfs/dbraw/zinc/06/35/54/405063554.db2.gz ZKTXEVKDZIDILH-UHFFFAOYSA-N 0 3 316.409 2.226 20 30 DEEDHN CCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000354396693 405193828 /nfs/dbraw/zinc/19/38/28/405193828.db2.gz WEWAQOASAKJMCI-MRXNPFEDSA-N 0 3 314.433 2.228 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(CCCN(C)Cc2ccccc2)C1=O ZINC000419921813 405271662 /nfs/dbraw/zinc/27/16/62/405271662.db2.gz IUBBEYQEFQUXBV-MRXNPFEDSA-N 0 3 315.417 2.395 20 30 DEEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419965655 405275695 /nfs/dbraw/zinc/27/56/95/405275695.db2.gz XGHRZFYWRYEOFW-INIZCTEOSA-N 0 3 323.481 2.071 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000425354751 405278916 /nfs/dbraw/zinc/27/89/16/405278916.db2.gz SNCSZTINDBGBGS-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453185174 405288616 /nfs/dbraw/zinc/28/86/16/405288616.db2.gz QQEZFFMBNROMLB-CVEARBPZSA-N 0 3 322.836 2.322 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN(C)Cc1ccccc1 ZINC000454216516 405311104 /nfs/dbraw/zinc/31/11/04/405311104.db2.gz OYZPYKKEVBNVMG-SJORKVTESA-N 0 3 317.433 2.151 20 30 DEEDHN CCC(CC)(CC(=O)OC)NCC(=O)NC1(C#N)CCCCC1 ZINC000440895195 405330507 /nfs/dbraw/zinc/33/05/07/405330507.db2.gz PAVYSMTZWSCOFA-UHFFFAOYSA-N 0 3 323.437 2.041 20 30 DEEDHN COc1cc2[nH]c(CCCNC(=O)C(C)C#N)cc2c(OC)c1 ZINC000440922437 405330868 /nfs/dbraw/zinc/33/08/68/405330868.db2.gz XFNDVSNDUTWWLM-NSHDSACASA-N 0 3 315.373 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](OC)[C@@H](C)CC)CC1 ZINC000454456238 405347764 /nfs/dbraw/zinc/34/77/64/405347764.db2.gz CRBNQRQASWOLKX-GOEBONIOSA-N 0 3 311.470 2.387 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000425486979 405298114 /nfs/dbraw/zinc/29/81/14/405298114.db2.gz YCEOZXIZRCNYPK-CZUORRHYSA-N 0 3 312.417 2.497 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)s1 ZINC000420798318 405386755 /nfs/dbraw/zinc/38/67/55/405386755.db2.gz WZKCTRVHAIOOQF-GFCCVEGCSA-N 0 3 306.435 2.293 20 30 DEEDHN CC(C#N)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427600165 405413856 /nfs/dbraw/zinc/41/38/56/405413856.db2.gz RYCPYHMRUHMTEB-SSDOTTSWSA-N 0 3 301.224 2.389 20 30 DEEDHN C[C@@](C#N)(NC(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1)C1CC1 ZINC000428191678 405422280 /nfs/dbraw/zinc/42/22/80/405422280.db2.gz YSVZYOVBKSUOIL-YOQCSXPPSA-N 0 3 301.434 2.163 20 30 DEEDHN CN(CCCNC(=O)C1CCC1)CCOc1cccc(C#N)c1 ZINC000429556938 405436652 /nfs/dbraw/zinc/43/66/52/405436652.db2.gz ZQKXAVGALUJUCS-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H]1CCN(c2ccccc2F)C1=O ZINC000429705578 405443984 /nfs/dbraw/zinc/44/39/84/405443984.db2.gz CZZVNXCLKGBUTR-KRWDZBQOSA-N 0 3 319.424 2.371 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000448921528 405464120 /nfs/dbraw/zinc/46/41/20/405464120.db2.gz NMVRUMSASILASG-MRXNPFEDSA-N 0 3 313.445 2.280 20 30 DEEDHN CCN(C)CCNC(=O)c1cccc(C#N)c1Br ZINC000448975212 405481085 /nfs/dbraw/zinc/48/10/85/405481085.db2.gz GHGPJPPNBZMDSA-UHFFFAOYSA-N 0 3 310.195 2.002 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C=C)C(C)C ZINC000448977113 405483024 /nfs/dbraw/zinc/48/30/24/405483024.db2.gz XANFZZSBXKDVGL-IKGGRYGDSA-N 0 3 306.450 2.392 20 30 DEEDHN Cn1ncc2c1CCCN(CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000556817558 405540993 /nfs/dbraw/zinc/54/09/93/405540993.db2.gz LZNYOBHTYQOHEJ-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633377186 405607069 /nfs/dbraw/zinc/60/70/69/405607069.db2.gz KNKIHGQKUQFIOI-HIFRSBDPSA-N 0 3 304.390 2.286 20 30 DEEDHN C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN(C2CC2)C1 ZINC000458775146 405583243 /nfs/dbraw/zinc/58/32/43/405583243.db2.gz WHZDOAYERZOAIN-AWEZNQCLSA-N 0 3 306.454 2.442 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457101261 405700147 /nfs/dbraw/zinc/70/01/47/405700147.db2.gz XSBGJVQQDKKXCO-AWEZNQCLSA-N 0 3 303.406 2.201 20 30 DEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c(F)c1 ZINC000559465790 405739280 /nfs/dbraw/zinc/73/92/80/405739280.db2.gz BRKYJKSZQSUVIE-DLBZAZTESA-N 0 3 304.365 2.107 20 30 DEEDHN CCN1CCC[C@H](NC(=O)Nc2ccc(COC)c(C#N)c2)C1 ZINC000529208524 405751392 /nfs/dbraw/zinc/75/13/92/405751392.db2.gz DWICLMLXQPNJLJ-INIZCTEOSA-N 0 3 316.405 2.310 20 30 DEEDHN CON1CCC(N(C)C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000457322383 405798147 /nfs/dbraw/zinc/79/81/47/405798147.db2.gz WBWRGUSAMGKHMK-MRXNPFEDSA-N 0 3 315.417 2.243 20 30 DEEDHN COC1(CN2CCN(c3cnccc3C#N)CC2)CCCCC1 ZINC000583971344 405798388 /nfs/dbraw/zinc/79/83/88/405798388.db2.gz PPTCGVKMPRKTST-UHFFFAOYSA-N 0 3 314.433 2.425 20 30 DEEDHN CC#CCCN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495321606 405873014 /nfs/dbraw/zinc/87/30/14/405873014.db2.gz GNTFCXOHKXVGKP-LSDHHAIUSA-N 0 3 310.438 2.404 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495960381 405943295 /nfs/dbraw/zinc/94/32/95/405943295.db2.gz GSTDSWHLDCREMH-VXGBXAGGSA-N 0 3 301.346 2.322 20 30 DEEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)Cn1cccn1 ZINC000433232259 405904940 /nfs/dbraw/zinc/90/49/40/405904940.db2.gz ZULJCXSUTJVPQF-NVXWUHKLSA-N 0 3 310.401 2.408 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCNC(=O)CC1 ZINC000450982513 406009934 /nfs/dbraw/zinc/00/99/34/406009934.db2.gz LSJFPBCJCUZNAE-AWEZNQCLSA-N 0 3 306.406 2.066 20 30 DEEDHN CCO[C@H]1C[C@](N)(C(=O)N2CCC(CCC#N)CC2)C1(C)C ZINC000515848717 406083422 /nfs/dbraw/zinc/08/34/22/406083422.db2.gz KORDBAYHYBGZKL-YOEHRIQHSA-N 0 3 307.438 2.061 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000566487427 406088754 /nfs/dbraw/zinc/08/87/54/406088754.db2.gz ZLIAXNRLOJDRBH-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000562650943 406052644 /nfs/dbraw/zinc/05/26/44/406052644.db2.gz JEMSQHOZIWEBCA-INIZCTEOSA-N 0 3 302.418 2.252 20 30 DEEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC1(C#N)CC1 ZINC000563498288 406060631 /nfs/dbraw/zinc/06/06/31/406060631.db2.gz VIQGQCMUHOFCLR-UHFFFAOYSA-N 0 3 314.433 2.500 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC2(CCO2)CC1 ZINC000564739755 406065726 /nfs/dbraw/zinc/06/57/26/406065726.db2.gz CHVKAZACJGXSGO-QGZVFWFLSA-N 0 3 317.429 2.410 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](c3ccnn3C)C2)nn1 ZINC000567890530 406154267 /nfs/dbraw/zinc/15/42/67/406154267.db2.gz CIHNQMZGHXRMFK-ZIAGYGMSSA-N 0 3 300.410 2.014 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000483430783 406179527 /nfs/dbraw/zinc/17/95/27/406179527.db2.gz XTDLKQLBBLRVSG-UHFFFAOYSA-N 0 3 301.434 2.482 20 30 DEEDHN CN1CCC[C@H](CNc2ncncc2C#N)[C@H]1c1cccs1 ZINC000519547708 406210379 /nfs/dbraw/zinc/21/03/79/406210379.db2.gz ZANUODFHEVWVCU-DOMZBBRYSA-N 0 3 313.430 2.327 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(CCC#N)CC2)C1 ZINC000569098311 406224572 /nfs/dbraw/zinc/22/45/72/406224572.db2.gz BHTQQQYSQSMFMK-ZBFHGGJFSA-N 0 3 306.454 2.440 20 30 DEEDHN Cc1noc([C@H](C)N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000569137855 406225206 /nfs/dbraw/zinc/22/52/06/406225206.db2.gz OXFWZBHBEJAQAT-NHYWBVRUSA-N 0 3 323.356 2.152 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCN(C)[C@H](C(C)C)C1 ZINC000488002353 406283088 /nfs/dbraw/zinc/28/30/88/406283088.db2.gz XZIJQTGMEZBDPR-INIZCTEOSA-N 0 3 317.433 2.218 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000488517790 406326745 /nfs/dbraw/zinc/32/67/45/406326745.db2.gz PFGICRWGARYHGL-DOTOQJQBSA-N 0 3 302.418 2.216 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639962202 406335296 /nfs/dbraw/zinc/33/52/96/406335296.db2.gz PDUMKSSDBDVNJR-KRWDZBQOSA-N 0 3 302.418 2.126 20 30 DEEDHN Cc1csc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1C#N ZINC000570388158 406386420 /nfs/dbraw/zinc/38/64/20/406386420.db2.gz PVQRWDKURQTNMF-DGCLKSJQSA-N 0 3 304.419 2.486 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000547418235 406408927 /nfs/dbraw/zinc/40/89/27/406408927.db2.gz OTXNYVVTEYTPME-KGLIPLIRSA-N 0 3 314.389 2.267 20 30 DEEDHN C=CCCCS(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000489520371 406415459 /nfs/dbraw/zinc/41/54/59/406415459.db2.gz ILJFZSBZZSUTCE-UHFFFAOYSA-N 0 3 300.468 2.279 20 30 DEEDHN C#CC(C)(C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000490670384 406480998 /nfs/dbraw/zinc/48/09/98/406480998.db2.gz MBUGNMAYYDFSRF-UHFFFAOYSA-N 0 3 313.445 2.117 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548640257 406535122 /nfs/dbraw/zinc/53/51/22/406535122.db2.gz SUSOSMYJXNYXJD-BONVTDFDSA-N 0 3 303.793 2.424 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OCC=C)cc2)CC1 ZINC000491200637 406542460 /nfs/dbraw/zinc/54/24/60/406542460.db2.gz BREXGXMYMXLQSJ-UHFFFAOYSA-N 0 3 312.413 2.213 20 30 DEEDHN C#CCNC(=O)C1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000491203443 406543721 /nfs/dbraw/zinc/54/37/21/406543721.db2.gz WDYDUXZODOWERM-CQSZACIVSA-N 0 3 300.402 2.218 20 30 DEEDHN C#C[C@@H](CC)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000491208967 406545024 /nfs/dbraw/zinc/54/50/24/406545024.db2.gz BAYORJXTSWSWIX-QJPTWQEYSA-N 0 3 304.356 2.423 20 30 DEEDHN C=CCOCCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640567912 406547542 /nfs/dbraw/zinc/54/75/42/406547542.db2.gz UCAYUDAJRIKTNJ-KGLIPLIRSA-N 0 3 303.324 2.313 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)CCCC(F)(F)F ZINC000491507357 406606960 /nfs/dbraw/zinc/60/69/60/406606960.db2.gz UWDMYACEBVRAGL-GFCCVEGCSA-N 0 3 307.360 2.362 20 30 DEEDHN CC(C#N)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000491566290 406624028 /nfs/dbraw/zinc/62/40/28/406624028.db2.gz CHQLDCFSLNYHJW-VXGBXAGGSA-N 0 3 309.410 2.298 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000491623485 406636979 /nfs/dbraw/zinc/63/69/79/406636979.db2.gz GBRCKRRPJFBDFH-CABCVRRESA-N 0 3 305.809 2.408 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000491351387 406574328 /nfs/dbraw/zinc/57/43/28/406574328.db2.gz TYNQTRUDFAGKMK-CQSZACIVSA-N 0 3 309.479 2.011 20 30 DEEDHN C#C[C@@H](NC[C@@H](O)COc1ccc(CCC(C)=O)cc1)C(C)C ZINC000491380983 406581270 /nfs/dbraw/zinc/58/12/70/406581270.db2.gz CANPJCMNIGEIOB-IEBWSBKVSA-N 0 3 317.429 2.195 20 30 DEEDHN C#CCNC(=O)C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000491383359 406582348 /nfs/dbraw/zinc/58/23/48/406582348.db2.gz LMZAZXXDCPSEPW-ONEGZZNKSA-N 0 3 300.377 2.300 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccccc1N1CCCCC1 ZINC000491414384 406588035 /nfs/dbraw/zinc/58/80/35/406588035.db2.gz CIWTVTKEAMTHSZ-UHFFFAOYSA-N 0 3 313.445 2.362 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000491667785 406658464 /nfs/dbraw/zinc/65/84/64/406658464.db2.gz XISNDIGSOFOLHH-SFHVURJKSA-N 0 3 314.429 2.266 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCCc2cccnc2)CC1 ZINC000491667511 406658525 /nfs/dbraw/zinc/65/85/25/406658525.db2.gz RMBFRKIVHJCPRR-MRXNPFEDSA-N 0 3 313.445 2.254 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@H](SCC)C1 ZINC000491740260 406695950 /nfs/dbraw/zinc/69/59/50/406695950.db2.gz OOLHBQYWLBJYSR-HNNXBMFYSA-N 0 3 311.495 2.259 20 30 DEEDHN C=CCc1cc(CNC(=O)/C=C/CN(C)C)cc(OC)c1OC ZINC000491894176 406767451 /nfs/dbraw/zinc/76/74/51/406767451.db2.gz RGNPUAZVYLCALM-VQHVLOKHSA-N 0 3 318.417 2.166 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](c2nccn2C)C1 ZINC000575878289 406827258 /nfs/dbraw/zinc/82/72/58/406827258.db2.gz DKLVQJNWZBRECM-HUUCEWRRSA-N 0 3 304.438 2.023 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2cnn(C)c2C)no1 ZINC000576078390 406828338 /nfs/dbraw/zinc/82/83/38/406828338.db2.gz OHXYSVMPZMLIAJ-ZBFHGGJFSA-N 0 3 302.378 2.207 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000577154586 406835595 /nfs/dbraw/zinc/83/55/95/406835595.db2.gz VFXLZYZCPSYLOP-JJXSEGSLSA-N 0 3 309.454 2.282 20 30 DEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ncc(C#N)cc1C ZINC000556244341 406866127 /nfs/dbraw/zinc/86/61/27/406866127.db2.gz MSROLJSQHISNBN-HNNXBMFYSA-N 0 3 300.406 2.208 20 30 DEEDHN CC[C@H](CSC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000132635045 196272658 /nfs/dbraw/zinc/27/26/58/196272658.db2.gz TWGQWUBUYRAQKW-CYBMUJFWSA-N 0 3 312.460 2.063 20 30 DEEDHN COC[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000193678895 225165698 /nfs/dbraw/zinc/16/56/98/225165698.db2.gz GIBQKHJGHQPOMB-OAHLLOKOSA-N 0 3 323.824 2.379 20 30 DEEDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330920316 226044329 /nfs/dbraw/zinc/04/43/29/226044329.db2.gz ZJOOVADPLCQLMS-GHMZBOCLSA-N 0 3 307.350 2.391 20 30 DEEDHN CN(C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1(C#N)CCCCC1 ZINC000333417221 226105656 /nfs/dbraw/zinc/10/56/56/226105656.db2.gz LEDPCNXQAVEQNT-BMFZPTHFSA-N 0 3 319.449 2.074 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C(=O)C3(C#N)CCC3)CC2)C[C@@H](C)O1 ZINC000369496617 227031959 /nfs/dbraw/zinc/03/19/59/227031959.db2.gz NXCKCMLSNYVHDB-HUUCEWRRSA-N 0 3 319.449 2.028 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000375485522 227150941 /nfs/dbraw/zinc/15/09/41/227150941.db2.gz QUQNVCXCUKQALA-JWZBEHFJSA-N 0 3 313.401 2.063 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000417735161 229082360 /nfs/dbraw/zinc/08/23/60/229082360.db2.gz ZIQKNRJSZXRXPG-ZWKOTPCHSA-N 0 3 320.396 2.195 20 30 DEEDHN Cc1nc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000488100045 421070577 /nfs/dbraw/zinc/07/05/77/421070577.db2.gz SCTIZXOSIIDXSR-ROUUACIJSA-N 0 3 322.412 2.309 20 30 DEEDHN Cc1cc(NC(=O)NCCN2CCCCCC2)ncc1C#N ZINC000603119758 422447784 /nfs/dbraw/zinc/44/77/84/422447784.db2.gz NDKABZJKMMLJGL-UHFFFAOYSA-N 0 3 301.394 2.259 20 30 DEEDHN N#CCc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000154181536 424861301 /nfs/dbraw/zinc/86/13/01/424861301.db2.gz JYNWBNGMXIVOCN-KRWDZBQOSA-N 0 3 313.401 2.335 20 30 DEEDHN Cc1cc(NC(=O)CCN[C@H]2CCCc3cc(C#N)ccc32)no1 ZINC000566910451 424912533 /nfs/dbraw/zinc/91/25/33/424912533.db2.gz DNLIBWJOFOLXFD-INIZCTEOSA-N 0 3 324.384 2.851 20 30 DEEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CCN1Cc1ccccc1 ZINC000574052776 424941588 /nfs/dbraw/zinc/94/15/88/424941588.db2.gz BGTMVOQLHZZDKA-YOEHRIQHSA-N 0 3 321.428 3.000 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cnc(C3CCCC3)nc2N)CCN1C ZINC000329270649 424904002 /nfs/dbraw/zinc/90/40/02/424904002.db2.gz HOXWGGBHVUOYSF-YPMHNXCESA-N 0 3 317.437 2.504 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)c(N)n1 ZINC000583391643 424984704 /nfs/dbraw/zinc/98/47/04/424984704.db2.gz BOMWBHJSUOZXPX-WMLDXEAASA-N 0 3 321.428 2.858 20 30 DEEDHN C=CCOCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000651020030 425089688 /nfs/dbraw/zinc/08/96/88/425089688.db2.gz UFDQONOYOZGWSJ-SFHVURJKSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000660823880 425245479 /nfs/dbraw/zinc/24/54/79/425245479.db2.gz ILCQNUXQBOVQPY-ZBFHGGJFSA-N 0 3 311.495 2.421 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000660699876 425210851 /nfs/dbraw/zinc/21/08/51/425210851.db2.gz JOTPMYCYOMWOHT-INIZCTEOSA-N 0 3 323.481 2.485 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1CC(F)(F)F ZINC000661115378 425327236 /nfs/dbraw/zinc/32/72/36/425327236.db2.gz REJIDQCELBCEKT-WDEREUQCSA-N 0 3 303.332 2.460 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000654431355 425351941 /nfs/dbraw/zinc/35/19/41/425351941.db2.gz HEEPJDAUGGCIFH-INIZCTEOSA-N 0 3 321.465 2.428 20 30 DEEDHN C=CCN(CCC(=O)N1CCOc2ccccc21)[C@H](C)COC ZINC000661239297 425357729 /nfs/dbraw/zinc/35/77/29/425357729.db2.gz DXNZSAMFBATSCQ-OAHLLOKOSA-N 0 3 318.417 2.325 20 30 DEEDHN C=CCN(CCc1nc2ccccc2c(=O)[nH]1)[C@H](C)COC ZINC000661242217 425359376 /nfs/dbraw/zinc/35/93/76/425359376.db2.gz KXYXLSTUJNEPFG-CYBMUJFWSA-N 0 3 301.390 2.401 20 30 DEEDHN C=CCCCCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000654665775 425408907 /nfs/dbraw/zinc/40/89/07/425408907.db2.gz LONNZLKBECEEBP-QGZVFWFLSA-N 0 3 322.497 2.154 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661879902 425518955 /nfs/dbraw/zinc/51/89/55/425518955.db2.gz FQKPVAJQIRMDFO-IRXDYDNUSA-N 0 3 306.450 2.468 20 30 DEEDHN Fc1ccc(C#CCN(CCN2CCOCC2)CC2CC2)cc1 ZINC000661970663 425532387 /nfs/dbraw/zinc/53/23/87/425532387.db2.gz TUQPJONNKQGYRL-UHFFFAOYSA-N 0 3 316.420 2.221 20 30 DEEDHN C=C(CC)CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000665063294 425499409 /nfs/dbraw/zinc/49/94/09/425499409.db2.gz MGSCIEJEPQNVGC-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCCOCC(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000655434710 425565595 /nfs/dbraw/zinc/56/55/95/425565595.db2.gz NUNGZRDEKQXDNB-UHFFFAOYSA-N 0 3 310.369 2.297 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(C[C@@H](O)CCC=C)[C@@H](C)[C@H]1C ZINC000662225771 425593995 /nfs/dbraw/zinc/59/39/95/425593995.db2.gz NYNGAAWTHSPJEB-USTZCAOPSA-N 0 3 310.482 2.035 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000666626978 425791876 /nfs/dbraw/zinc/79/18/76/425791876.db2.gz SLBOGHZUNNUJJY-GOSISDBHSA-N 0 3 302.418 2.013 20 30 DEEDHN C=CCC1(NC(=O)[C@@H]2CNCc3ccccc32)CCOCC1 ZINC000662875783 425754130 /nfs/dbraw/zinc/75/41/30/425754130.db2.gz XSKHCIREKFCGBO-MRXNPFEDSA-N 0 3 300.402 2.115 20 30 DEEDHN CC1(C)C[C@H](O)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000395464494 269102101 /nfs/dbraw/zinc/10/21/01/269102101.db2.gz URIQOUDPVZDYEL-CYBMUJFWSA-N 0 3 321.446 2.431 20 30 DEEDHN N#Cc1csc(CNCCNC(=O)Cc2cccc(F)c2)c1 ZINC000507523488 269317419 /nfs/dbraw/zinc/31/74/19/269317419.db2.gz ANUWGQJDSFNPEH-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001348688591 1151182479 /nfs/dbraw/zinc/18/24/79/1151182479.db2.gz GFDVDRVJUNWSGE-NVXWUHKLSA-N 0 3 321.465 2.380 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(C)cc(C#N)c2)C[C@H]1N(C)C ZINC000455958419 274184976 /nfs/dbraw/zinc/18/49/76/274184976.db2.gz RQZFOCOQFRAFJN-CABCVRRESA-N 0 3 318.446 2.376 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCc2ccc(C#N)cc2)C1 ZINC000119431877 277182360 /nfs/dbraw/zinc/18/23/60/277182360.db2.gz PFXZXVLLWCMJOM-MSOLQXFVSA-N 0 3 311.429 2.434 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000439638463 277690967 /nfs/dbraw/zinc/69/09/67/277690967.db2.gz VTOMPIVEROBZTE-MELADBBJSA-N 0 3 307.438 2.121 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CCOCC2)CC1 ZINC000367458372 277845458 /nfs/dbraw/zinc/84/54/58/277845458.db2.gz KOQYTSAEGYETGJ-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280905934 278253176 /nfs/dbraw/zinc/25/31/76/278253176.db2.gz UAZLVQQUYMSGPQ-MAUKXSAKSA-N 0 3 324.428 2.231 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377715188 278306085 /nfs/dbraw/zinc/30/60/85/278306085.db2.gz BJJZZRLFCTXNRD-APWZRJJASA-N 0 3 312.461 2.331 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccncc1OCCN(C)C ZINC000330897952 278594897 /nfs/dbraw/zinc/59/48/97/278594897.db2.gz MLDMJYZXCAMNBJ-OKILXGFUSA-N 0 3 320.437 2.309 20 30 DEEDHN C[C@H](CNC(=O)N[C@@H]1CCCc2c[nH]nc21)N1CCC(C)CC1 ZINC000330088135 279241046 /nfs/dbraw/zinc/24/10/46/279241046.db2.gz UKSRSDUPYBYEEM-UKRRQHHQSA-N 0 3 319.453 2.411 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000345104961 279310476 /nfs/dbraw/zinc/31/04/76/279310476.db2.gz JQVMQEIFMGPWPE-UONOGXRCSA-N 0 3 310.417 2.144 20 30 DEEDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCN(C2CCC2)C1 ZINC000292265541 288278704 /nfs/dbraw/zinc/27/87/04/288278704.db2.gz LEBTUSVRNLTKLP-LBPRGKRZSA-N 0 3 315.377 2.172 20 30 DEEDHN Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000048334470 281461243 /nfs/dbraw/zinc/46/12/43/281461243.db2.gz YAGUBJXWGZSPTH-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000288031754 289236741 /nfs/dbraw/zinc/23/67/41/289236741.db2.gz MWHNYFADDDGYGM-IJEWVQPXSA-N 0 3 302.422 2.479 20 30 DEEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCC(=O)N(C)CCC#N)C1 ZINC000376556345 533698600 /nfs/dbraw/zinc/69/86/00/533698600.db2.gz YQTDVYRMKWODKJ-ZBFHGGJFSA-N 0 3 300.406 2.227 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccccc2C)C[C@@H]1C ZINC001328283369 1148765694 /nfs/dbraw/zinc/76/56/94/1148765694.db2.gz KTHYXNCDSZZSRY-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(-n3cccc3)ccn2)[C@H]1C ZINC001088965900 782087440 /nfs/dbraw/zinc/08/74/40/782087440.db2.gz JOECFUQTTPYYPZ-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(CCCF)[C@@H]1C ZINC001088970197 782089702 /nfs/dbraw/zinc/08/97/02/782089702.db2.gz MDICTIWHQAONQR-KGLIPLIRSA-N 0 3 321.396 2.199 20 30 DEEDHN COC(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)c(C#N)n1 ZINC000574316181 326143430 /nfs/dbraw/zinc/14/34/30/326143430.db2.gz DHOAKYSFCXSDLN-KRWDZBQOSA-N 0 3 324.384 2.455 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000570563978 332773790 /nfs/dbraw/zinc/77/37/90/332773790.db2.gz BHMINKWJRYZMBE-ZDUSSCGKSA-N 0 3 317.389 2.465 20 30 DEEDHN CC[C@H](C)NC(=O)CCNCc1ccc(N(C)CCC#N)cc1 ZINC000069750171 331916497 /nfs/dbraw/zinc/91/64/97/331916497.db2.gz IDPHFHCKEMFXAT-HNNXBMFYSA-N 0 3 316.449 2.431 20 30 DEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CNCCO1 ZINC000091300605 331918260 /nfs/dbraw/zinc/91/82/60/331918260.db2.gz HBDUOLYJCFGSPR-NSHDSACASA-N 0 3 314.838 2.295 20 30 DEEDHN COC1CCN(C2(CNC(=O)[C@@]3(C#N)C[C@H]3C)CCCC2)CC1 ZINC000569543721 332132840 /nfs/dbraw/zinc/13/28/40/332132840.db2.gz PFJNXBJUYIARLQ-RDTXWAMCSA-N 0 3 319.449 2.076 20 30 DEEDHN C=CCCCCN(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000560186398 332317690 /nfs/dbraw/zinc/31/76/90/332317690.db2.gz KBIKATWPCASYRM-OAHLLOKOSA-N 0 3 310.438 2.076 20 30 DEEDHN CC1CC(C#N)(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000532010215 334370914 /nfs/dbraw/zinc/37/09/14/334370914.db2.gz QDBCRDQUOWEAMM-UHFFFAOYSA-N 0 3 315.417 2.183 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000343764521 335191282 /nfs/dbraw/zinc/19/12/82/335191282.db2.gz LXHMBHQMLNOONR-OAHLLOKOSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H]1C ZINC001088984266 782099958 /nfs/dbraw/zinc/09/99/58/782099958.db2.gz QUNCSKDDIHYCRM-ZBFHGGJFSA-N 0 3 301.434 2.429 20 30 DEEDHN COc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000390876497 336949139 /nfs/dbraw/zinc/94/91/39/336949139.db2.gz BWIAHYMGMWEAQZ-MRXNPFEDSA-N 0 3 312.369 2.096 20 30 DEEDHN N#CCCCCN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375754367 337018644 /nfs/dbraw/zinc/01/86/44/337018644.db2.gz CEBIXRGBFSJLBU-LSDHHAIUSA-N 0 3 309.410 2.050 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cc(C)c(O)c(C)c2)CC1 ZINC000188748259 337433585 /nfs/dbraw/zinc/43/35/85/337433585.db2.gz HQHWJERGDFBUPC-UHFFFAOYSA-N 0 3 314.429 2.013 20 30 DEEDHN C[C@H](CCC#N)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000496197556 340000291 /nfs/dbraw/zinc/00/02/91/340000291.db2.gz XZZATICRXFWXIX-CYBMUJFWSA-N 0 3 311.426 2.030 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496536961 340007393 /nfs/dbraw/zinc/00/73/93/340007393.db2.gz WCPLSUVDEKGABR-RWMBFGLXSA-N 0 3 307.394 2.004 20 30 DEEDHN C=CCN(C)CCN(CC)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000496814345 340013591 /nfs/dbraw/zinc/01/35/91/340013591.db2.gz JUSRFSKUOVGYHV-KRWDZBQOSA-N 0 3 317.433 2.452 20 30 DEEDHN CN(C)[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000517233842 340466326 /nfs/dbraw/zinc/46/63/26/340466326.db2.gz FIYCDGBVSFLEAE-GJZGRUSLSA-N 0 3 322.840 2.080 20 30 DEEDHN COCCc1noc(CC2CCN([C@H](C)CCC#N)CC2)n1 ZINC000528627061 340727030 /nfs/dbraw/zinc/72/70/30/340727030.db2.gz NMVOMHYLFWGWBH-CYBMUJFWSA-N 0 3 306.410 2.205 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000564217847 340884047 /nfs/dbraw/zinc/88/40/47/340884047.db2.gz WMBYHHMZFJMELL-YOEHRIQHSA-N 0 3 324.852 2.429 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(CC)(CC)CCO)CC1 ZINC000074132437 341129483 /nfs/dbraw/zinc/12/94/83/341129483.db2.gz RQTHKXVZXSJNGL-UHFFFAOYSA-N 0 3 311.470 2.125 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCCC(C)(C)CO)CC1 ZINC000074130074 341129516 /nfs/dbraw/zinc/12/95/16/341129516.db2.gz RSWQXCUFYSJLEO-UHFFFAOYSA-N 0 3 311.470 2.125 20 30 DEEDHN CC[C@H](CC#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000545862819 341143450 /nfs/dbraw/zinc/14/34/50/341143450.db2.gz AOSPIRAQQGSRBC-JKSUJKDBSA-N 0 3 300.406 2.102 20 30 DEEDHN O=C(NCC#Cc1cccc(F)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000549591691 341298475 /nfs/dbraw/zinc/29/84/75/341298475.db2.gz PKAQTLMBHCNFBD-QGZVFWFLSA-N 0 3 315.392 2.057 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000248462146 341378365 /nfs/dbraw/zinc/37/83/65/341378365.db2.gz XZDKPOPQIJAJJB-FMKPAKJESA-N 0 3 300.406 2.108 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@H]1CO)C(C)C ZINC000249115292 341394234 /nfs/dbraw/zinc/39/42/34/341394234.db2.gz SFKJVUQQYQPCJX-GVDBMIGSSA-N 0 3 323.481 2.097 20 30 DEEDHN N#CCC[C@@H](C#N)CNCCCn1cc(Br)cn1 ZINC000566933078 341572115 /nfs/dbraw/zinc/57/21/15/341572115.db2.gz UQTFGUHAZMCQKA-NSHDSACASA-N 0 3 310.199 2.069 20 30 DEEDHN C=CCCCCCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000567288727 341593394 /nfs/dbraw/zinc/59/33/94/341593394.db2.gz XDAQYJJUIFQMOZ-INIZCTEOSA-N 0 3 311.470 2.125 20 30 DEEDHN C[C@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)CO1 ZINC000567898561 341639495 /nfs/dbraw/zinc/63/94/95/341639495.db2.gz VIWZYZLRBPBCLG-XJKSGUPXSA-N 0 3 311.389 2.126 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)CN(CC)CC ZINC001356999638 1152206820 /nfs/dbraw/zinc/20/68/20/1152206820.db2.gz ZZQACPMTKINLPH-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc(C)nc2C2CC2)[C@H]1C ZINC001089014094 782113341 /nfs/dbraw/zinc/11/33/41/782113341.db2.gz BXTUVANCOCBYFR-WBMJQRKESA-N 0 3 314.433 2.431 20 30 DEEDHN CC[C@@H](CNC(=O)C1=COCCC1)NCc1ccc(C#N)s1 ZINC001378255304 1152256301 /nfs/dbraw/zinc/25/63/01/1152256301.db2.gz WFHFOKDZBMKCIN-ZDUSSCGKSA-N 0 3 319.430 2.298 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC001357202745 1152269416 /nfs/dbraw/zinc/26/94/16/1152269416.db2.gz OVPZTNONTPAXCZ-ZDUSSCGKSA-N 0 3 309.797 2.322 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(NC(=O)OC)cc1 ZINC001357285035 1152280978 /nfs/dbraw/zinc/28/09/78/1152280978.db2.gz JQEVGSPIVFJQRP-HNNXBMFYSA-N 0 3 319.405 2.207 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnsn2)CCCCC1 ZINC001378396043 1152316478 /nfs/dbraw/zinc/31/64/78/1152316478.db2.gz AFKNHEZFOWCLSS-UHFFFAOYSA-N 0 3 314.842 2.313 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1ccoc1 ZINC001378530197 1152363958 /nfs/dbraw/zinc/36/39/58/1152363958.db2.gz GSSIMYLYEYQUPN-GFCCVEGCSA-N 0 3 315.348 2.446 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCCC2CCOCC2)C1 ZINC001329998045 1149030529 /nfs/dbraw/zinc/03/05/29/1149030529.db2.gz AVIMWWQZQQEKFV-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001330032858 1149037521 /nfs/dbraw/zinc/03/75/21/1149037521.db2.gz XIDAXJHQSAYBLC-CYBMUJFWSA-N 0 3 320.437 2.138 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2COc3ccccc32)[C@H]1C ZINC001089075491 782152896 /nfs/dbraw/zinc/15/28/96/782152896.db2.gz HFVMGROADBEKOT-BMFZPTHFSA-N 0 3 300.402 2.318 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001330047419 1149041403 /nfs/dbraw/zinc/04/14/03/1149041403.db2.gz LPUXGPUTHRRCSG-LSDHHAIUSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001440927286 1181778756 /nfs/dbraw/zinc/77/87/56/1181778756.db2.gz FCUXXPOBXQKCKB-KGLIPLIRSA-N 0 3 301.862 2.050 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCCC#N)CCN1Cc1ccccc1 ZINC000331164579 533897207 /nfs/dbraw/zinc/89/72/07/533897207.db2.gz SNIMBHNUNPDHMZ-GDBMZVCRSA-N 0 3 300.406 2.457 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](NCc1ccc(CC#N)cc1)C(N)=O ZINC000428838632 534114816 /nfs/dbraw/zinc/11/48/16/534114816.db2.gz HXQBUPUUKYBYNM-KBXCAEBGSA-N 0 3 307.397 2.500 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000437731526 517319833 /nfs/dbraw/zinc/31/98/33/517319833.db2.gz USHQQAGHPJZENA-PMPSAXMXSA-N 0 3 309.454 2.141 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000264783898 534288636 /nfs/dbraw/zinc/28/86/36/534288636.db2.gz PZYZPFHYYZEDQQ-CABCVRRESA-N 0 3 302.422 2.308 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000104529743 519715694 /nfs/dbraw/zinc/71/56/94/519715694.db2.gz SXEHHHINEDXRSY-UHFFFAOYSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CCCO)CCCCC1 ZINC000452341730 534590216 /nfs/dbraw/zinc/59/02/16/534590216.db2.gz DSAFNGNJJBKEBR-MRXNPFEDSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000451601778 534609013 /nfs/dbraw/zinc/60/90/13/534609013.db2.gz VSBBKTPXAUFKGM-XYPHTWIQSA-N 0 3 302.418 2.359 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000246287595 524563618 /nfs/dbraw/zinc/56/36/18/524563618.db2.gz KODPIEWNIXSFSE-XJKSGUPXSA-N 0 3 300.406 2.040 20 30 DEEDHN C[C@H]1COCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000369454220 524707261 /nfs/dbraw/zinc/70/72/61/524707261.db2.gz YSUPQJAHWRFTIH-CQSZACIVSA-N 0 3 310.401 2.427 20 30 DEEDHN C=C(Cl)CN(C)CCC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001378932248 1152495490 /nfs/dbraw/zinc/49/54/90/1152495490.db2.gz ZZNZCOPIOKPCHI-UHFFFAOYSA-N 0 3 324.856 2.265 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000338122224 525535689 /nfs/dbraw/zinc/53/56/89/525535689.db2.gz ZHUAPVCXIZYGPK-UHFFFAOYSA-N 0 3 315.417 2.050 20 30 DEEDHN C=CCN1CC(=O)N(C[C@@H]2CCCN2Cc2ccccc2)C1=O ZINC000372916333 526412232 /nfs/dbraw/zinc/41/22/32/526412232.db2.gz VMZHZISEFQMOTO-INIZCTEOSA-N 0 3 313.401 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000338041265 526430989 /nfs/dbraw/zinc/43/09/89/526430989.db2.gz MPCQYCQUSRHXTP-UHFFFAOYSA-N 0 3 315.392 2.127 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2cccc(O)c2)CC1 ZINC000358810779 526437459 /nfs/dbraw/zinc/43/74/59/526437459.db2.gz WNUSQCHQXVBFKV-AWEZNQCLSA-N 0 3 317.433 2.273 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3cccc(OC)c32)CC1 ZINC000340000040 526443916 /nfs/dbraw/zinc/44/39/16/526443916.db2.gz UJZOTIZLQJBMPG-MRXNPFEDSA-N 0 3 314.429 2.492 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000372176048 526589433 /nfs/dbraw/zinc/58/94/33/526589433.db2.gz OJMAMTVPRDBCEH-HOTGVXAUSA-N 0 3 321.465 2.095 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)CCSC)cc1 ZINC000262338222 526618692 /nfs/dbraw/zinc/61/86/92/526618692.db2.gz XTOJXSJBPYBUKY-ZDUSSCGKSA-N 0 3 322.434 2.013 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H]2C(=O)NCC[C@@H]2C)ccc1OC ZINC000193696631 526662521 /nfs/dbraw/zinc/66/25/21/526662521.db2.gz CKZCXQMUCNUCAY-GUYCJALGSA-N 0 3 318.417 2.264 20 30 DEEDHN C=CCOCCN[C@H](CO)c1ccc(Br)cc1 ZINC000294451103 526783198 /nfs/dbraw/zinc/78/31/98/526783198.db2.gz FVTWFRSYAMMJRX-CYBMUJFWSA-N 0 3 300.196 2.275 20 30 DEEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCCSCC#N)C1 ZINC000374803109 526909701 /nfs/dbraw/zinc/90/97/01/526909701.db2.gz YQZZHORMIDBKQS-CYBMUJFWSA-N 0 3 321.450 2.194 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(C)C)nc2)CC1 ZINC000299348282 526933400 /nfs/dbraw/zinc/93/34/00/526933400.db2.gz NBOOGNFPJVBAIN-UHFFFAOYSA-N 0 3 301.390 2.153 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000341551436 526958398 /nfs/dbraw/zinc/95/83/98/526958398.db2.gz UGIOQXVIGAVDGK-HNNXBMFYSA-N 0 3 315.417 2.347 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000341416871 526964427 /nfs/dbraw/zinc/96/44/27/526964427.db2.gz CWVMDXPACNYLDC-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCO[C@@H](C)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000297565993 527078099 /nfs/dbraw/zinc/07/80/99/527078099.db2.gz GJGPRRIDTIVIKE-ZDUSSCGKSA-N 0 3 315.373 2.388 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000295636161 527081403 /nfs/dbraw/zinc/08/14/03/527081403.db2.gz QEXZEBRQCDNTND-CJNGLKHVSA-N 0 3 320.458 2.166 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000341450684 527149587 /nfs/dbraw/zinc/14/95/87/527149587.db2.gz FVJJKEWUMWUJDL-YESZJQIVSA-N 0 3 322.497 2.009 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](N)[C@@H](C)CC)cc(OC)c1OC ZINC000237047111 527240930 /nfs/dbraw/zinc/24/09/30/527240930.db2.gz WQIAYXSKYONACZ-LRDDRELGSA-N 0 3 320.433 2.422 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCOC[C@H](C)C1 ZINC000338248975 527265284 /nfs/dbraw/zinc/26/52/84/527265284.db2.gz AZAOCXVZANUNBV-NVXWUHKLSA-N 0 3 305.418 2.123 20 30 DEEDHN C=CCCOCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000339831362 527349935 /nfs/dbraw/zinc/34/99/35/527349935.db2.gz VOQDLWOBHXMKNV-UHFFFAOYSA-N 0 3 323.481 2.485 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCc1ccncc1OCCN(C)C ZINC000345301075 527611831 /nfs/dbraw/zinc/61/18/31/527611831.db2.gz POQSFRSMPJRKMC-QGZVFWFLSA-N 0 3 305.422 2.241 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1coc(CN)c1)C(C)C ZINC000188082831 527646631 /nfs/dbraw/zinc/64/66/31/527646631.db2.gz LMSIJBFZTWDVFZ-INIZCTEOSA-N 0 3 305.422 2.167 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(CC)CCC)C(C)C ZINC000284090150 527648106 /nfs/dbraw/zinc/64/81/06/527648106.db2.gz PCIDJGFEJSGFHD-MRXNPFEDSA-N 0 3 323.481 2.060 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cnns1)C(C)C ZINC000192348335 527650079 /nfs/dbraw/zinc/65/00/79/527650079.db2.gz SAXBYEQQLATSIU-GFCCVEGCSA-N 0 3 309.439 2.358 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000330800883 527930491 /nfs/dbraw/zinc/93/04/91/527930491.db2.gz AFKXXEAQTCPZAL-HUUCEWRRSA-N 0 3 314.433 2.301 20 30 DEEDHN CC(C)OCCCNC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338907236 527941428 /nfs/dbraw/zinc/94/14/28/527941428.db2.gz IILOOYGCGHWXCM-NVXWUHKLSA-N 0 3 321.465 2.322 20 30 DEEDHN CC(C)N1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000292360864 529008694 /nfs/dbraw/zinc/00/86/94/529008694.db2.gz FQOSYCKKWWDUKA-OAHLLOKOSA-N 0 3 314.433 2.301 20 30 DEEDHN CCN1CCN([C@H](C)CNC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000330886713 529151808 /nfs/dbraw/zinc/15/18/08/529151808.db2.gz DYPQZCKMTYKJIF-CYBMUJFWSA-N 0 3 322.453 2.303 20 30 DEEDHN CCN1CCN([C@H](C)CNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC000330601734 529151848 /nfs/dbraw/zinc/15/18/48/529151848.db2.gz GURJOCQLWGKIKZ-CQSZACIVSA-N 0 3 306.454 2.469 20 30 DEEDHN CC[C@H]1CN(CC)CCN1CCC(=O)Nc1ccccc1C#N ZINC000451728495 536140942 /nfs/dbraw/zinc/14/09/42/536140942.db2.gz GQWMGIQYMXRTHS-INIZCTEOSA-N 0 3 314.433 2.303 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000451635478 536647891 /nfs/dbraw/zinc/64/78/91/536647891.db2.gz XLHMXBDOJKQTCC-HNCZQISISA-N 0 3 321.465 2.463 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NCc1ccncc1Cl ZINC001378972399 1152513807 /nfs/dbraw/zinc/51/38/07/1152513807.db2.gz XXFJHCCPPDFBDQ-RISCZKNCSA-N 0 3 308.813 2.125 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001369746585 1149136083 /nfs/dbraw/zinc/13/60/83/1149136083.db2.gz JOIAZVDAZQBFEN-FZMZJTMJSA-N 0 3 310.829 2.443 20 30 DEEDHN Cn1ccc([C@@H]2CCCN(C[C@@H](O)c3cccc(C#N)c3)C2)n1 ZINC001414042192 1152545858 /nfs/dbraw/zinc/54/58/58/1152545858.db2.gz KJQFPIYXIYCUJS-SJLPKXTDSA-N 0 3 310.401 2.205 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000835062857 649874425 /nfs/dbraw/zinc/87/44/25/649874425.db2.gz SLEQYXOQELGAHT-MNOVXSKESA-N 0 3 304.733 2.026 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000835062944 649874524 /nfs/dbraw/zinc/87/45/24/649874524.db2.gz GTVSNCVTQPOBSL-ZDUSSCGKSA-N 0 3 317.345 2.478 20 30 DEEDHN C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823888408 608525586 /nfs/dbraw/zinc/52/55/86/608525586.db2.gz LRTPQBYVCQIEHA-BLLLJJGKSA-N 0 3 313.405 2.018 20 30 DEEDHN C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823888408 608525587 /nfs/dbraw/zinc/52/55/87/608525587.db2.gz LRTPQBYVCQIEHA-BLLLJJGKSA-N 0 3 313.405 2.018 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1C ZINC001355390021 1152008093 /nfs/dbraw/zinc/00/80/93/1152008093.db2.gz BLMUUXPPEAUJTB-KGLIPLIRSA-N 0 3 305.470 2.489 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(OC)cc2F)C1 ZINC001023472380 625285980 /nfs/dbraw/zinc/28/59/80/625285980.db2.gz XKHOHQXKOYMINC-AWEZNQCLSA-N 0 3 318.392 2.299 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001023481935 625291205 /nfs/dbraw/zinc/29/12/05/625291205.db2.gz TULOUEFGXMCZAT-MRXNPFEDSA-N 0 3 309.413 2.404 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cncs1 ZINC001025243535 625300414 /nfs/dbraw/zinc/30/04/14/625300414.db2.gz OIJLDGKFAYWBHB-CVEARBPZSA-N 0 3 317.458 2.164 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C3CC3)on2)C1 ZINC001023514525 625305650 /nfs/dbraw/zinc/30/56/50/625305650.db2.gz OHDZEYGHRWWDEB-ZDUSSCGKSA-N 0 3 301.390 2.017 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C[C@@H]1C ZINC000947564256 625307623 /nfs/dbraw/zinc/30/76/23/625307623.db2.gz OIYFSIXPLGJOHJ-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3ccccc3nn2)C1 ZINC001023523676 625308517 /nfs/dbraw/zinc/30/85/17/625308517.db2.gz QXCJUIQAZNDTAD-AWEZNQCLSA-N 0 3 310.401 2.258 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1csnn1 ZINC001025255439 625310471 /nfs/dbraw/zinc/31/04/71/625310471.db2.gz PQOMOFUBPMALFJ-KBPBESRZSA-N 0 3 306.435 2.183 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001025267523 625314140 /nfs/dbraw/zinc/31/41/40/625314140.db2.gz PXFMHTPHYOWWJY-ZIAGYGMSSA-N 0 3 306.385 2.194 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001023545093 625320044 /nfs/dbraw/zinc/32/00/44/625320044.db2.gz TVIWJBLHJWQGBO-MRXNPFEDSA-N 0 3 301.434 2.452 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001025284560 625326714 /nfs/dbraw/zinc/32/67/14/625326714.db2.gz MGJCPQAORBPNGW-ZWKOTPCHSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ccccc3n2C)C1 ZINC001023562033 625326742 /nfs/dbraw/zinc/32/67/42/625326742.db2.gz ISXJYTLLFKERBL-OAHLLOKOSA-N 0 3 309.413 2.253 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nonc1C ZINC001025305228 625333006 /nfs/dbraw/zinc/33/30/06/625333006.db2.gz 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C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(OC)cc2C)C1 ZINC000971599104 624194090 /nfs/dbraw/zinc/19/40/90/624194090.db2.gz IAZAHUDTMJPRNZ-MRXNPFEDSA-N 0 3 302.418 2.265 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccnn2CC2CCC2)C1 ZINC001022084008 624194678 /nfs/dbraw/zinc/19/46/78/624194678.db2.gz FAIITSMBUQFHGD-OKILXGFUSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001022134586 624465841 /nfs/dbraw/zinc/46/58/41/624465841.db2.gz IFBAEXPJFIIZOG-AOOOYVTPSA-N 0 3 317.220 2.159 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC000971654193 624481243 /nfs/dbraw/zinc/48/12/43/624481243.db2.gz FJDQEEAVEKNZQP-ROUUACIJSA-N 0 3 313.445 2.374 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001022242095 624519764 /nfs/dbraw/zinc/51/97/64/624519764.db2.gz KIYSHDVSVZUCGV-BETUJISGSA-N 0 3 304.781 2.117 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC000971771287 624544108 /nfs/dbraw/zinc/54/41/08/624544108.db2.gz HQWMDAQHWFKKBG-WMZOPIPTSA-N 0 3 313.445 2.232 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001022367099 624617421 /nfs/dbraw/zinc/61/74/21/624617421.db2.gz PDXYORMHRHJGEB-OCAPTIKFSA-N 0 3 323.702 2.296 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000051351491 624643523 /nfs/dbraw/zinc/64/35/23/624643523.db2.gz SVRLVOGUHRXEKU-CYBMUJFWSA-N 0 3 311.341 2.119 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C(C)C)nn2CC)C1 ZINC000971859907 624660386 /nfs/dbraw/zinc/66/03/86/624660386.db2.gz YGARACNCMFZMIA-CQSZACIVSA-N 0 3 304.438 2.359 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000998773761 634400739 /nfs/dbraw/zinc/40/07/39/634400739.db2.gz TXNUEXONIYDLAV-BPCQOVAHSA-N 0 3 322.840 2.161 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC000971927135 624720356 /nfs/dbraw/zinc/72/03/56/624720356.db2.gz CJNZNIVVTOIHAT-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001022558424 624728631 /nfs/dbraw/zinc/72/86/31/624728631.db2.gz YFNONQVMWASEKG-SCRDCRAPSA-N 0 3 313.239 2.488 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c[nH]c(Br)c2)C1 ZINC000971957762 624734679 /nfs/dbraw/zinc/73/46/79/624734679.db2.gz MDGYSACVKQYHET-NSHDSACASA-N 0 3 312.211 2.110 20 30 DEEDHN COCCN1CCC(Nc2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892014259 624742481 /nfs/dbraw/zinc/74/24/81/624742481.db2.gz RTCJTFQKWWXPNJ-UHFFFAOYSA-N 0 3 310.379 2.051 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001022596708 624772730 /nfs/dbraw/zinc/77/27/30/624772730.db2.gz QSPMUORKQJEWKV-BETUJISGSA-N 0 3 318.808 2.095 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001022624914 624788391 /nfs/dbraw/zinc/78/83/91/624788391.db2.gz LGMSBHFTEDSRHE-YIYPIFLZSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000972044530 624792188 /nfs/dbraw/zinc/79/21/88/624792188.db2.gz JLTUDZHVJDARFO-GFCCVEGCSA-N 0 3 313.323 2.433 20 30 DEEDHN COC(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000934412921 624875810 /nfs/dbraw/zinc/87/58/10/624875810.db2.gz NERTZKHSJYWNDK-HOTGVXAUSA-N 0 3 314.385 2.217 20 30 DEEDHN C=CC[C@H]1CCN1C[C@H](O)COc1c(OC)cccc1OC ZINC000934469304 624885659 /nfs/dbraw/zinc/88/56/59/624885659.db2.gz SFOMDEGUUSTCDY-KBPBESRZSA-N 0 3 307.390 2.094 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1 ZINC000972198515 624886667 /nfs/dbraw/zinc/88/66/67/624886667.db2.gz HXLWAQDGZMGCLR-AWEZNQCLSA-N 0 3 312.373 2.069 20 30 DEEDHN C[C@]1(C2CC2)COCCN1CCC(=O)Nc1ccccc1C#N ZINC000934476434 624888748 /nfs/dbraw/zinc/88/87/48/624888748.db2.gz AJRZOZYVTCJXBS-GOSISDBHSA-N 0 3 313.401 2.388 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)cc3Cl)[C@@H]2C1 ZINC000978786203 634421925 /nfs/dbraw/zinc/42/19/25/634421925.db2.gz MACCNTQMHRYKOB-QKDCVEJESA-N 0 3 302.805 2.189 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccn(CC(C)C)n2)C1 ZINC000998842951 634422743 /nfs/dbraw/zinc/42/27/43/634422743.db2.gz GXLPLKZYLTVDEY-UHFFFAOYSA-N 0 3 324.856 2.484 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001024738558 625027642 /nfs/dbraw/zinc/02/76/42/625027642.db2.gz ABWLKHLPDHPLBA-HNNXBMFYSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001024743267 625029925 /nfs/dbraw/zinc/02/99/25/625029925.db2.gz GLZOIFDVQQTOSG-HNNXBMFYSA-N 0 3 324.428 2.479 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001024817007 625066446 /nfs/dbraw/zinc/06/64/46/625066446.db2.gz SMGYQFKOEABXLD-AWEZNQCLSA-N 0 3 305.447 2.368 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3nccnc32)C1 ZINC001022885699 625066985 /nfs/dbraw/zinc/06/69/85/625066985.db2.gz LRPIVVITYHQQQM-TXEJJXNPSA-N 0 3 316.792 2.233 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC000972426378 625072650 /nfs/dbraw/zinc/07/26/50/625072650.db2.gz SSFOJBATIHACDC-DLBZAZTESA-N 0 3 309.413 2.391 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3cnccc32)C1 ZINC001027679692 634435772 /nfs/dbraw/zinc/43/57/72/634435772.db2.gz QRXYXDPIDJUDOI-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCCCN2C(=O)C#CC2CC2)s1 ZINC001024960559 625119937 /nfs/dbraw/zinc/11/99/37/625119937.db2.gz WOFMUPZFTXUGBV-OAHLLOKOSA-N 0 3 317.458 2.336 20 30 DEEDHN Cc1cc(CNC[C@H]2CCCCN2C(=O)C#CC2CC2)sn1 ZINC001024960674 625120166 /nfs/dbraw/zinc/12/01/66/625120166.db2.gz YQVWIQXZGGFLCR-OAHLLOKOSA-N 0 3 317.458 2.336 20 30 DEEDHN N#CC(C(=O)c1cccn2nccc12)c1nnc2n1CCCCC2 ZINC000892550157 625140956 /nfs/dbraw/zinc/14/09/56/625140956.db2.gz AIFHAPZSOBYBRJ-ZDUSSCGKSA-N 0 3 320.356 2.142 20 30 DEEDHN CC(=O)N1C[C@@H]2CC[C@@H](NCc3cc(F)ccc3C#N)[C@H]2C1 ZINC001026158352 625160485 /nfs/dbraw/zinc/16/04/85/625160485.db2.gz UKCDFPBWCMELBD-RRQGHBQHSA-N 0 3 301.365 2.044 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C[C@@H]1C ZINC000947542033 625163912 /nfs/dbraw/zinc/16/39/12/625163912.db2.gz BPRWZDDMCYWBIY-STQMWFEESA-N 0 3 317.458 2.238 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H]2CN(C(=O)C3CC3)C[C@H]21 ZINC001026163373 625164208 /nfs/dbraw/zinc/16/42/08/625164208.db2.gz OFMLEXYMIJKAIP-RCCFBDPRSA-N 0 3 309.413 2.295 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001023181905 625176576 /nfs/dbraw/zinc/17/65/76/625176576.db2.gz YEVRHRPXFNGJFW-AOOOYVTPSA-N 0 3 321.764 2.136 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001023360733 625237951 /nfs/dbraw/zinc/23/79/51/625237951.db2.gz ONTIWBTXNLANGZ-OAHLLOKOSA-N 0 3 316.449 2.009 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000972557824 625243253 /nfs/dbraw/zinc/24/32/53/625243253.db2.gz IQMRXMRAHBDRGF-MRXNPFEDSA-N 0 3 314.433 2.014 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000972557661 625245590 /nfs/dbraw/zinc/24/55/90/625245590.db2.gz HREUACYGPMSGEW-QGZVFWFLSA-N 0 3 310.401 2.205 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001023397784 625252785 /nfs/dbraw/zinc/25/27/85/625252785.db2.gz QVONPJVIEJHAEH-HNNXBMFYSA-N 0 3 314.433 2.073 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001023397440 625252974 /nfs/dbraw/zinc/25/29/74/625252974.db2.gz IIVLSEFTQUTFSH-JKSUJKDBSA-N 0 3 316.449 2.319 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ncccc1C ZINC001025220862 625278268 /nfs/dbraw/zinc/27/82/68/625278268.db2.gz KHOWRECKMPYYSV-DLBZAZTESA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001025643141 625720475 /nfs/dbraw/zinc/72/04/75/625720475.db2.gz BQPPAEOVCMPKFT-CVEARBPZSA-N 0 3 313.445 2.288 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001024500288 625821647 /nfs/dbraw/zinc/82/16/47/625821647.db2.gz ZWUMCPJDNUOHEX-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001024509057 625830920 /nfs/dbraw/zinc/83/09/20/625830920.db2.gz PAAILBGASHYYIF-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001007743857 625866037 /nfs/dbraw/zinc/86/60/37/625866037.db2.gz CRHFLLNAMLRLCW-ZDUSSCGKSA-N 0 3 304.438 2.478 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001024567373 625892074 /nfs/dbraw/zinc/89/20/74/625892074.db2.gz AMOJXQVKGVZQFW-ZACQAIPSSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001024667037 625957686 /nfs/dbraw/zinc/95/76/86/625957686.db2.gz BYVMGKHNWUTFCY-IXDOHACOSA-N 0 3 316.449 2.070 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024675998 625961730 /nfs/dbraw/zinc/96/17/30/625961730.db2.gz OTSUXSILQFUEDK-LJQANCHMSA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001024678325 625962765 /nfs/dbraw/zinc/96/27/65/625962765.db2.gz ORLKOXWWODJARF-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)cn2)C1 ZINC001027706628 634467537 /nfs/dbraw/zinc/46/75/37/634467537.db2.gz QKXQOLMRGLBTFY-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001027708622 634470851 /nfs/dbraw/zinc/47/08/51/634470851.db2.gz UZCPRPCMCJQPDY-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4ccccc43)[C@@H]2C1 ZINC000979023348 634479284 /nfs/dbraw/zinc/47/92/84/634479284.db2.gz JKTBCHNQBQJIMT-LDLYASANSA-N 0 3 304.393 2.381 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(F)F)c3)[C@@H]2C1 ZINC000979005243 634475485 /nfs/dbraw/zinc/47/54/85/634475485.db2.gz NOGZSRRTSBLPNC-QKDCVEJESA-N 0 3 304.340 2.165 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCc3nccn32)C1 ZINC000999373495 634569503 /nfs/dbraw/zinc/56/95/03/634569503.db2.gz QJCJHHOVDPCBHA-KGLIPLIRSA-N 0 3 322.840 2.094 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCC[C@@H](NCCF)C2)cc1 ZINC000999547331 634624112 /nfs/dbraw/zinc/62/41/12/634624112.db2.gz OJMZFDMZFYACQS-OAHLLOKOSA-N 0 3 306.381 2.415 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C2CC(NCC(=C)Cl)C2)cn1 ZINC000999713463 634661455 /nfs/dbraw/zinc/66/14/55/634661455.db2.gz POHRSQXZDLWUNO-UHFFFAOYSA-N 0 3 303.793 2.008 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2ccnc(OC)c2)C1 ZINC000999901423 634700020 /nfs/dbraw/zinc/70/00/20/634700020.db2.gz UICTXYKEGDEWAC-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000844812182 651172673 /nfs/dbraw/zinc/17/26/73/651172673.db2.gz NIWVXVMBCIAQJN-LSDHHAIUSA-N 0 3 300.805 2.153 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000836216637 650065800 /nfs/dbraw/zinc/06/58/00/650065800.db2.gz KPHDELYUZANUKG-UHFFFAOYSA-N 0 3 315.421 2.191 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000836324448 650079965 /nfs/dbraw/zinc/07/99/65/650079965.db2.gz OOQAZXHLQQEEGH-MRXNPFEDSA-N 0 3 301.434 2.353 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000836443758 650092011 /nfs/dbraw/zinc/09/20/11/650092011.db2.gz KGUPTTOZIINOGE-MRXNPFEDSA-N 0 3 319.836 2.062 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001024722424 632946966 /nfs/dbraw/zinc/94/69/66/632946966.db2.gz RXEAUOJWMIJEPY-OAHLLOKOSA-N 0 3 304.438 2.143 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2N(C)C)[C@H](C)C1 ZINC000945807403 633005764 /nfs/dbraw/zinc/00/57/64/633005764.db2.gz JBPDJQYGDNZZEJ-NVXWUHKLSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974604979 633169232 /nfs/dbraw/zinc/16/92/32/633169232.db2.gz KDZYOZCINYROAV-BBWFWOEESA-N 0 3 311.429 2.035 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(F)cc2F)C(C)(C)C1 ZINC000974613527 633183548 /nfs/dbraw/zinc/18/35/48/633183548.db2.gz RPDUERHOUNBSDL-MRXNPFEDSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(C)nc2C2CC2)C(C)(C)C1 ZINC000974631023 633184611 /nfs/dbraw/zinc/18/46/11/633184611.db2.gz JZQJWPHXUUEFJC-HNNXBMFYSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000996228661 633216161 /nfs/dbraw/zinc/21/61/61/633216161.db2.gz RMFGCZGHEWMCJP-QAPCUYQASA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CN(CCCF)CC1(C)C ZINC000974681701 633231419 /nfs/dbraw/zinc/23/14/19/633231419.db2.gz KQVQGLLTLWAPPS-HNNXBMFYSA-N 0 3 307.413 2.474 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)c2ccc3cncn3c2C)C(C)(C)C1 ZINC000974746728 633279177 /nfs/dbraw/zinc/27/91/77/633279177.db2.gz PTZBOKKCARBBHH-KRWDZBQOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C(C)(C)C1 ZINC000974767782 633293148 /nfs/dbraw/zinc/29/31/48/633293148.db2.gz PSPUGOZCRVOEMY-INIZCTEOSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C(C)(C)C1 ZINC000974799760 633311270 /nfs/dbraw/zinc/31/12/70/633311270.db2.gz IPPGLYKFKGWCCK-QGZVFWFLSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)C(C)(C)C1 ZINC000974842447 633329668 /nfs/dbraw/zinc/32/96/68/633329668.db2.gz BCONGLASVVATJX-MRXNPFEDSA-N 0 3 313.445 2.470 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026991889 633332510 /nfs/dbraw/zinc/33/25/10/633332510.db2.gz CGLCBCPNOPGLBZ-CZUORRHYSA-N 0 3 303.381 2.244 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001027040567 633372693 /nfs/dbraw/zinc/37/26/93/633372693.db2.gz GELJLVSPJZWONU-DOMZBBRYSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3cc(C)n(C)n3)C2)C1 ZINC001027051493 633378557 /nfs/dbraw/zinc/37/85/57/633378557.db2.gz ZFNVNPPIRQXMFT-HNNXBMFYSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001008774194 633385701 /nfs/dbraw/zinc/38/57/01/633385701.db2.gz DDIJQEUNCNRRSJ-AWEZNQCLSA-N 0 3 317.458 2.167 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001009310700 633587473 /nfs/dbraw/zinc/58/74/73/633587473.db2.gz FWDZKXFWUFWSLD-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2noc3c2CCCC3)CC1 ZINC000997322035 633699579 /nfs/dbraw/zinc/69/95/79/633699579.db2.gz WJNFSTNYAARZCG-CYBMUJFWSA-N 0 3 315.417 2.017 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(OC)c(C)c2)CC1 ZINC000997344444 633709013 /nfs/dbraw/zinc/70/90/13/633709013.db2.gz BPCWTGYUFYHJQL-OAHLLOKOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnn(CCC)c2C)CC1 ZINC000997365670 633716446 /nfs/dbraw/zinc/71/64/46/633716446.db2.gz SESKDGOIZSKMQV-CQSZACIVSA-N 0 3 316.449 2.065 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COc2cccc(F)c2)cs1 ZINC000921586834 633737377 /nfs/dbraw/zinc/73/73/77/633737377.db2.gz ODNKUBMYQYZDGR-ZDUSSCGKSA-N 0 3 306.362 2.288 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405467 633746746 /nfs/dbraw/zinc/74/67/46/633746746.db2.gz IJDBJZKSASRQEL-IBGZPJMESA-N 0 3 321.424 2.394 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)nsc2C)CC1 ZINC000997436776 633756938 /nfs/dbraw/zinc/75/69/38/633756938.db2.gz PCAPBTSTQXZNGV-LLVKDONJSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001027453195 633808242 /nfs/dbraw/zinc/80/82/42/633808242.db2.gz HQTAILJREOCUJE-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001027466664 633836478 /nfs/dbraw/zinc/83/64/78/633836478.db2.gz XGMFTKOMUPMANH-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN CC(C)c1nnc2n1C[C@@H](NCc1csc(C#N)c1)CC2 ZINC000921635478 633837652 /nfs/dbraw/zinc/83/76/52/633837652.db2.gz XODJUDNDUCBBFJ-LBPRGKRZSA-N 0 3 301.419 2.439 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2F)C[C@H]1N(C)C ZINC000888363420 633839070 /nfs/dbraw/zinc/83/90/70/633839070.db2.gz LWGLMEAAGNFBQF-ZIAGYGMSSA-N 0 3 322.409 2.207 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001027469886 633845316 /nfs/dbraw/zinc/84/53/16/633845316.db2.gz JPUCWWHKTXUDIZ-CQSZACIVSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(COC)cs2)C1 ZINC001027481477 633865481 /nfs/dbraw/zinc/86/54/81/633865481.db2.gz SAOFYYCHCLWLJR-AWEZNQCLSA-N 0 3 306.431 2.064 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)C[C@@H]1C ZINC000947929236 633877775 /nfs/dbraw/zinc/87/77/75/633877775.db2.gz KIZOEPLWJCBBFH-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(OC)ns2)CC1 ZINC000997590285 633889448 /nfs/dbraw/zinc/88/94/48/633889448.db2.gz WWWJOMUOCXYHCA-LBPRGKRZSA-N 0 3 321.446 2.005 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2scnc2COC)C(C)(C)C1 ZINC000977283133 633910589 /nfs/dbraw/zinc/91/05/89/633910589.db2.gz FCXXOSNYJHZBHU-ZDUSSCGKSA-N 0 3 323.462 2.306 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001027505802 633927258 /nfs/dbraw/zinc/92/72/58/633927258.db2.gz SPYJCJFMWREQKU-OAHLLOKOSA-N 0 3 320.383 2.372 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ocnc2CC)CC1 ZINC000997744438 633957828 /nfs/dbraw/zinc/95/78/28/633957828.db2.gz IRHOEAVPTSBBEO-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000997753646 633964029 /nfs/dbraw/zinc/96/40/29/633964029.db2.gz CZOLXLCGBBIDSH-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C(C)(C)C1 ZINC000977403957 633968798 /nfs/dbraw/zinc/96/87/98/633968798.db2.gz WDPRMEGMFAJUNV-HNNXBMFYSA-N 0 3 318.465 2.100 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2nc(CC)oc2C)CC1 ZINC000997788479 633978243 /nfs/dbraw/zinc/97/82/43/633978243.db2.gz BGOCAMOYTSUPMO-ZDUSSCGKSA-N 0 3 317.433 2.399 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000997858759 634012750 /nfs/dbraw/zinc/01/27/50/634012750.db2.gz UVLVJCQAFOZJRF-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2CCOCC2)CC1 ZINC000997891996 634022378 /nfs/dbraw/zinc/02/23/78/634022378.db2.gz PCHAYSLXZJLWRM-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)n(C(C)C)n2)CC1 ZINC000997891262 634023062 /nfs/dbraw/zinc/02/30/62/634023062.db2.gz LAKYQQJESICVIY-HNNXBMFYSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001027541072 634058292 /nfs/dbraw/zinc/05/82/92/634058292.db2.gz JXLBSZWOMLQIQR-SJORKVTESA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000977635891 634070664 /nfs/dbraw/zinc/07/06/64/634070664.db2.gz BDVFDMRBAWIYLV-HNNXBMFYSA-N 0 3 304.459 2.449 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001027544666 634074651 /nfs/dbraw/zinc/07/46/51/634074651.db2.gz HBHPJDVENGTKGZ-WBVHZDCISA-N 0 3 300.377 2.021 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2=COCCC2)CC1 ZINC000997952445 634075177 /nfs/dbraw/zinc/07/51/77/634075177.db2.gz CNOBEXMMMBEGNN-QGZVFWFLSA-N 0 3 304.434 2.407 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2N(C)C)C(C)(C)C1 ZINC000977667871 634093481 /nfs/dbraw/zinc/09/34/81/634093481.db2.gz PIVIVKPEDXTREL-KRWDZBQOSA-N 0 3 313.445 2.216 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2nccc(C)n2)CC1 ZINC000997991639 634100036 /nfs/dbraw/zinc/10/00/36/634100036.db2.gz JOYFLMDIFOURNR-INIZCTEOSA-N 0 3 314.433 2.125 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2nccn2CC)CC1 ZINC000997991603 634100322 /nfs/dbraw/zinc/10/03/22/634100322.db2.gz NDWLEOHHULXRAN-INIZCTEOSA-N 0 3 316.449 2.243 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)C2CC(OCC)C2)CC1 ZINC000997996534 634102729 /nfs/dbraw/zinc/10/27/29/634102729.db2.gz ZCQPNPHKQIYQMM-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccc(F)cn2)CC1 ZINC000997994449 634102815 /nfs/dbraw/zinc/10/28/15/634102815.db2.gz WIMJHLZRZWCLGS-OAHLLOKOSA-N 0 3 303.381 2.171 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccns2)CC1 ZINC000998023132 634116040 /nfs/dbraw/zinc/11/60/40/634116040.db2.gz ONRXCTVPRWGQKY-AWEZNQCLSA-N 0 3 305.447 2.483 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnn(CC)c2C)CC1 ZINC000998159798 634156776 /nfs/dbraw/zinc/15/67/76/634156776.db2.gz LPXPMTBPDVUGEV-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cccc(OC)n2)CC1 ZINC000998166549 634159036 /nfs/dbraw/zinc/15/90/36/634159036.db2.gz SFDRMNPQHDQVGW-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C)no2)CC[C@H]1C(F)(F)F ZINC000998232975 634179263 /nfs/dbraw/zinc/17/92/63/634179263.db2.gz OFHAIRYMFDCBCR-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ncoc2C)CC[C@@H]1C(F)(F)F ZINC000998239361 634182671 /nfs/dbraw/zinc/18/26/71/634182671.db2.gz BMLGGSDCJIVCGN-QWRGUYRKSA-N 0 3 317.311 2.152 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cnco2)CC[C@@H]1C(F)(F)F ZINC000998277085 634196858 /nfs/dbraw/zinc/19/68/58/634196858.db2.gz NJIZPHLUGSIYJL-WDEREUQCSA-N 0 3 317.311 2.233 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)c3ccc[nH]3)C2)s1 ZINC000998504160 634297134 /nfs/dbraw/zinc/29/71/34/634297134.db2.gz ADWKCSXFSBFRNC-LBPRGKRZSA-N 0 3 314.414 2.342 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2[C@H]3CN(CC#CC)C[C@H]32)cc1 ZINC000978387071 634302544 /nfs/dbraw/zinc/30/25/44/634302544.db2.gz IFRCWLAVROJKIP-LDLYASANSA-N 0 3 324.424 2.182 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)CC2CCOCC2)C1 ZINC001027634789 634354901 /nfs/dbraw/zinc/35/49/01/634354901.db2.gz CRUYZQFCLDKVHR-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000978585087 634369859 /nfs/dbraw/zinc/36/98/59/634369859.db2.gz GVLBDUVSONQOMH-IYXGVVJKSA-N 0 3 309.413 2.008 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001027878365 634850253 /nfs/dbraw/zinc/85/02/53/634850253.db2.gz ZDHPVTDNYPKEJG-AWEZNQCLSA-N 0 3 304.438 2.314 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001027893383 634892633 /nfs/dbraw/zinc/89/26/33/634892633.db2.gz URVPKRTWLUQFPJ-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001027895808 634894862 /nfs/dbraw/zinc/89/48/62/634894862.db2.gz BMANOGNDTAODAU-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3[nH]cnc3C)C[C@@H]2C1 ZINC000980280683 634928682 /nfs/dbraw/zinc/92/86/82/634928682.db2.gz UVCFNWAHAOEJEN-MJBXVCDLSA-N 0 3 322.840 2.301 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913776 634955335 /nfs/dbraw/zinc/95/53/35/634955335.db2.gz OKOYWDRSPXFDFV-CQSZACIVSA-N 0 3 307.463 2.190 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001027926289 634984162 /nfs/dbraw/zinc/98/41/62/634984162.db2.gz PGAFXYIRGCJBBW-HNNXBMFYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2cc(F)cc(F)c2)C1 ZINC000980500893 635027273 /nfs/dbraw/zinc/02/72/73/635027273.db2.gz OGLHPVMFNGMXLS-CQSZACIVSA-N 0 3 310.344 2.062 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc(OCC)c2)C1 ZINC000980504843 635029959 /nfs/dbraw/zinc/02/99/59/635029959.db2.gz WFZLCKUWLGSFCI-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2c(C)noc2Cl)C1 ZINC000980523138 635034410 /nfs/dbraw/zinc/03/44/10/635034410.db2.gz DHORGFVZAPNQHW-LBPRGKRZSA-N 0 3 311.813 2.288 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cn2)C1 ZINC000980564906 635045702 /nfs/dbraw/zinc/04/57/02/635045702.db2.gz SIWWPBNNDLQPGZ-CQSZACIVSA-N 0 3 303.406 2.201 20 30 DEEDHN Cc1csc(CNC[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000980575813 635049023 /nfs/dbraw/zinc/04/90/23/635049023.db2.gz UUUIMFVDJKKEIC-HIFRSBDPSA-N 0 3 317.458 2.192 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001027979048 635147662 /nfs/dbraw/zinc/14/76/62/635147662.db2.gz 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CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000741465587 637984722 /nfs/dbraw/zinc/98/47/22/637984722.db2.gz WKLNFIYQUZIRTL-LGEORROZSA-N 0 3 316.405 2.124 20 30 DEEDHN COC(=O)[C@@H]1[C@H](CN(C)CCc2cccc(C#N)c2)C1(F)F ZINC000895451993 638031032 /nfs/dbraw/zinc/03/10/32/638031032.db2.gz OMWDGUCFDZQBTA-KBPBESRZSA-N 0 3 308.328 2.087 20 30 DEEDHN C#CC1(NCc2c(C)nn(CC(=O)OC(C)C)c2C)CCCC1 ZINC000895675628 638138978 /nfs/dbraw/zinc/13/89/78/638138978.db2.gz SOWDDTCWVQTMOH-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C[C@@H](NCc1ccc(OCC(N)=O)cc1)c1cccc(C#N)c1 ZINC000743497701 638153128 /nfs/dbraw/zinc/15/31/28/638153128.db2.gz ZHBGHYJXTCSTQG-CYBMUJFWSA-N 0 3 309.369 2.273 20 30 DEEDHN CC(C)CO[C@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000746417140 638342940 /nfs/dbraw/zinc/34/29/40/638342940.db2.gz ZTINQADMVFHAKL-CHWSQXEVSA-N 0 3 304.394 2.242 20 30 DEEDHN N#Cc1csc(CNC[C@@H](O)COc2cccc(F)c2)c1 ZINC000748099540 638509834 /nfs/dbraw/zinc/50/98/34/638509834.db2.gz XXYSNACXORETJA-CYBMUJFWSA-N 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SHESUGDEXGAOGT-UKRRQHHQSA-N 0 3 306.793 2.439 20 30 DEEDHN N#Cc1cnn(C(=O)c2cccc(CN3CCCCC3)c2)c1N ZINC000839577072 639759423 /nfs/dbraw/zinc/75/94/23/639759423.db2.gz LABNDNLNBOOXFQ-UHFFFAOYSA-N 0 3 309.373 2.011 20 30 DEEDHN C=C(C)[C@H](CO)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000839639976 639788301 /nfs/dbraw/zinc/78/83/01/639788301.db2.gz KOZNXKDYFHAIEJ-KBPBESRZSA-N 0 3 314.223 2.351 20 30 DEEDHN Cn1cc[nH+]c1[N-]N=Cc1cccn1CC(=O)OC(C)(C)C ZINC000841637709 650528006 /nfs/dbraw/zinc/52/80/06/650528006.db2.gz YKLZHGDYZBKFCN-UHFFFAOYSA-N 0 3 303.366 2.009 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cn1 ZINC000758201438 639926908 /nfs/dbraw/zinc/92/69/08/639926908.db2.gz LVCAASKZJXFPBM-DNVCBOLYSA-N 0 3 319.408 2.456 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](NCc3cnn(C)c3)[C@H]2C)CC1 ZINC000986854072 640000144 /nfs/dbraw/zinc/00/01/44/640000144.db2.gz MNSHOIKSRXZSSH-PBHICJAKSA-N 0 3 316.449 2.246 20 30 DEEDHN COc1cccc(CO[C@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760337799 640181152 /nfs/dbraw/zinc/18/11/52/640181152.db2.gz BWAZWWATJJOZAV-DOMZBBRYSA-N 0 3 311.341 2.267 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](NCCF)[C@H]2C)cc1 ZINC000987587977 640229426 /nfs/dbraw/zinc/22/94/26/640229426.db2.gz DLCVUMOTDBDMNC-PBHICJAKSA-N 0 3 320.408 2.342 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)nc1 ZINC000760820736 640232162 /nfs/dbraw/zinc/23/21/62/640232162.db2.gz BJVOKLJVRDIQHX-OAHLLOKOSA-N 0 3 321.380 2.032 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)C(C)(C)F ZINC000987768982 640280639 /nfs/dbraw/zinc/28/06/39/640280639.db2.gz FTASYOQIWRNBAN-WDEREUQCSA-N 0 3 309.410 2.447 20 30 DEEDHN CC(C)C(=O)N1C[C@H](NCc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000988129905 640350847 /nfs/dbraw/zinc/35/08/47/640350847.db2.gz BLLHYYGMGVGBLG-IUODEOHRSA-N 0 3 303.381 2.432 20 30 DEEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000762019249 640374203 /nfs/dbraw/zinc/37/42/03/640374203.db2.gz QPGWWFGMBMFBJY-IUCAKERBSA-N 0 3 303.343 2.217 20 30 DEEDHN COCCNC(=O)C(C#N)C(=O)CCC(C)(C)c1ccccc1 ZINC000179222353 640602986 /nfs/dbraw/zinc/60/29/86/640602986.db2.gz KIYJOIPVABXRPK-HNNXBMFYSA-N 0 3 316.401 2.216 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)C#CC1CC1 ZINC000988825470 640674652 /nfs/dbraw/zinc/67/46/52/640674652.db2.gz LSDBEFAJLYWBTL-CZUORRHYSA-N 0 3 300.377 2.318 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3ccc(C)nc32)C1 ZINC000989024514 640705982 /nfs/dbraw/zinc/70/59/82/640705982.db2.gz VQAPXYRUSVUMOD-GDBMZVCRSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000989034141 640707971 /nfs/dbraw/zinc/70/79/71/640707971.db2.gz BTMRXEOVGJYJNB-BBRMVZONSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)cc(OC)c2C)C1 ZINC000989120091 640728601 /nfs/dbraw/zinc/72/86/01/640728601.db2.gz NPIKBKVJGUZLMJ-DZGCQCFKSA-N 0 3 300.402 2.138 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnc3c(F)cccc3c2)C1 ZINC000989195791 640750265 /nfs/dbraw/zinc/75/02/65/640750265.db2.gz RZGSPLLTQLXUHO-IUODEOHRSA-N 0 3 311.360 2.200 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000989234870 640761933 /nfs/dbraw/zinc/76/19/33/640761933.db2.gz GOLBDYXVPBOGDS-XJKSGUPXSA-N 0 3 304.821 2.485 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765890907 640826280 /nfs/dbraw/zinc/82/62/80/640826280.db2.gz HRSNSUJQPLFJSK-HKUYNNGSSA-N 0 3 323.440 2.175 20 30 DEEDHN CCOC(=O)CC(C)(C)CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599694 640837562 /nfs/dbraw/zinc/83/75/62/640837562.db2.gz RQEPZMANZRUFPT-UHFFFAOYSA-N 0 3 309.406 2.304 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCn1cccn1 ZINC000729886436 640851139 /nfs/dbraw/zinc/85/11/39/640851139.db2.gz GVMZHERMOUZWJR-ZDUSSCGKSA-N 0 3 307.357 2.426 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000989405626 640854678 /nfs/dbraw/zinc/85/46/78/640854678.db2.gz JMOJLWHMJWXBAC-RISCZKNCSA-N 0 3 308.784 2.234 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2nc3ccccn3c2F)CC1 ZINC000989412710 640868618 /nfs/dbraw/zinc/86/86/18/640868618.db2.gz UVEVIGUSILCVKC-UHFFFAOYSA-N 0 3 316.380 2.197 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cc3c(C)cccn3c2)CC1 ZINC000989472324 641113619 /nfs/dbraw/zinc/11/36/19/641113619.db2.gz IRWQINBNFCCMRF-UHFFFAOYSA-N 0 3 309.413 2.419 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000989484957 641117180 /nfs/dbraw/zinc/11/71/80/641117180.db2.gz HEIFJYVDZCIPAZ-DGCLKSJQSA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC000989520195 641135568 /nfs/dbraw/zinc/13/55/68/641135568.db2.gz QOMZRGWHSLHAQW-GDBMZVCRSA-N 0 3 309.413 2.231 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnn(C3CCCCC3)c2)C1 ZINC000989652062 641183570 /nfs/dbraw/zinc/18/35/70/641183570.db2.gz HADKQVAXJNHILQ-HOCLYGCPSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000989730243 641209046 /nfs/dbraw/zinc/20/90/46/641209046.db2.gz QQLNXLQDEWEOTO-UHFFFAOYSA-N 0 3 312.417 2.216 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H]2Cc3cccc(C)c3O2)CC1 ZINC000989818323 641241526 /nfs/dbraw/zinc/24/15/26/641241526.db2.gz WMJRTLWFLIDXEX-QGZVFWFLSA-N 0 3 314.429 2.409 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2csc(CC(C)C)n2)C1 ZINC000989853047 641256553 /nfs/dbraw/zinc/25/65/53/641256553.db2.gz DYBVAQWEGWEDBM-OLZOCXBDSA-N 0 3 305.447 2.167 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000769773887 641288017 /nfs/dbraw/zinc/28/80/17/641288017.db2.gz LKNKECWXFNCKKN-QLGLKNNMSA-N 0 3 319.449 2.376 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3ccsc3)CCC[C@H]12 ZINC000989928562 641297388 /nfs/dbraw/zinc/29/73/88/641297388.db2.gz IUEJONMTSSWGKI-DOTOQJQBSA-N 0 3 302.443 2.427 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cn1 ZINC000770046684 641325819 /nfs/dbraw/zinc/32/58/19/641325819.db2.gz IHLNKSKUHVZTMI-KBXCAEBGSA-N 0 3 307.397 2.484 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)ncn3)CCC[C@@H]12 ZINC000990264735 641421549 /nfs/dbraw/zinc/42/15/49/641421549.db2.gz HJXBWTJZJDDTGB-WBVHZDCISA-N 0 3 300.406 2.088 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(NCc2nc3ccccc3o2)CC1 ZINC000990263073 641421843 /nfs/dbraw/zinc/42/18/43/641421843.db2.gz ZLCIGNFIPXHVNX-LBPRGKRZSA-N 0 3 312.373 2.068 20 30 DEEDHN COc1cccc(OCC(=O)C(C#N)C(=O)Nc2ccccc2)c1 ZINC000128277650 641630912 /nfs/dbraw/zinc/63/09/12/641630912.db2.gz GVDHWYFVUUMOHI-INIZCTEOSA-N 0 3 324.336 2.422 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCSc2ccccc21 ZINC000842289770 650695892 /nfs/dbraw/zinc/69/58/92/650695892.db2.gz SWUBFHSGCCLSND-QWHCGFSZSA-N 0 3 300.383 2.253 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000842291949 650696984 /nfs/dbraw/zinc/69/69/84/650696984.db2.gz OBVIQSDVQIXEKP-OLZOCXBDSA-N 0 3 304.394 2.242 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\CCO[C@@H]2CCOC2)c([O-])c1 ZINC000899227284 641996577 /nfs/dbraw/zinc/99/65/77/641996577.db2.gz IJZJOJKTMOZVOB-UWCCDQBKSA-N 0 3 306.406 2.463 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775405089 642039408 /nfs/dbraw/zinc/03/94/08/642039408.db2.gz QPZRFCVDFZZHRS-HNNXBMFYSA-N 0 3 313.445 2.275 20 30 DEEDHN C#C[C@@H](NCCCc1nc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000775785519 642093689 /nfs/dbraw/zinc/09/36/89/642093689.db2.gz PHUJLTHQXAXPFS-CVEARBPZSA-N 0 3 311.385 2.440 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837047 642104014 /nfs/dbraw/zinc/10/40/14/642104014.db2.gz QTYNPUXZRQNICX-LSDHHAIUSA-N 0 3 316.449 2.411 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000842342446 650714268 /nfs/dbraw/zinc/71/42/68/650714268.db2.gz BTFGMVIZGITONE-CVEARBPZSA-N 0 3 316.401 2.381 20 30 DEEDHN C#CCN(C(=S)N[C@@H]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000899613448 642119980 /nfs/dbraw/zinc/11/99/80/642119980.db2.gz BNSXCDFMOCXDPA-GDBMZVCRSA-N 0 3 307.507 2.469 20 30 DEEDHN CC(=O)CCc1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000777363446 642257569 /nfs/dbraw/zinc/25/75/69/642257569.db2.gz TZBOJLUEBCHVJZ-INIZCTEOSA-N 0 3 323.352 2.253 20 30 DEEDHN CCC(CC)CN(CCC#N)C(=O)c1ccnn1CCN(C)C ZINC000900584904 642423133 /nfs/dbraw/zinc/42/31/33/642423133.db2.gz CSCACIIFYAIMIX-UHFFFAOYSA-N 0 3 319.453 2.237 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@@H](C#N)C2)cc1 ZINC000900639944 642431489 /nfs/dbraw/zinc/43/14/89/642431489.db2.gz PQOAODJWLNHCHX-WMLDXEAASA-N 0 3 315.417 2.496 20 30 DEEDHN CNC(=O)C1(NCc2ccc(O[C@@H](C)C#N)cc2)CCCC1 ZINC000779177150 642469946 /nfs/dbraw/zinc/46/99/46/642469946.db2.gz XGLNJMRPTKCGPY-ZDUSSCGKSA-N 0 3 301.390 2.126 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000900980173 642535983 /nfs/dbraw/zinc/53/59/83/642535983.db2.gz IHAKJPNILHIYIU-HOTGVXAUSA-N 0 3 314.429 2.287 20 30 DEEDHN C[C@H](C=NNC1=N[C@H](C)CN1)c1cccc(Br)c1 ZINC000779794683 642538707 /nfs/dbraw/zinc/53/87/07/642538707.db2.gz LEANOUMQCWVMMW-NXEZZACHSA-N 0 3 309.211 2.476 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)nnc3C)CCC[C@@H]12 ZINC000990887307 642683006 /nfs/dbraw/zinc/68/30/06/642683006.db2.gz ANFJNNKAXORQTJ-WBVHZDCISA-N 0 3 300.406 2.006 20 30 DEEDHN N#Cc1ccc([C@H](NCC[C@@H]2CCC(F)(F)C2)C(N)=O)cc1 ZINC000901673522 642740062 /nfs/dbraw/zinc/74/00/62/642740062.db2.gz OKDDGKBRQQNHED-FZMZJTMJSA-N 0 3 307.344 2.500 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000782065064 642819940 /nfs/dbraw/zinc/81/99/40/642819940.db2.gz YXCMJWZRTZRVKU-DLBZAZTESA-N 0 3 300.333 2.054 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)[nH]nc3Cl)CCC[C@@H]12 ZINC000990971884 642965158 /nfs/dbraw/zinc/96/51/58/642965158.db2.gz FKVXITRMSYSGMP-ABAIWWIYSA-N 0 3 308.813 2.284 20 30 DEEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000783300641 642994394 /nfs/dbraw/zinc/99/43/94/642994394.db2.gz OQHQSPGIUYRNCL-HUUCEWRRSA-N 0 3 316.405 2.489 20 30 DEEDHN N#CCCn1cc(CN2C[C@H]3C[C@@]3(CO)C2)c(-c2ccccc2)n1 ZINC000783733718 643044473 /nfs/dbraw/zinc/04/44/73/643044473.db2.gz IYKPUQMNWDRQFU-MJGOQNOKSA-N 0 3 322.412 2.278 20 30 DEEDHN CC[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc(C#N)c1 ZINC000902886649 643178002 /nfs/dbraw/zinc/17/80/02/643178002.db2.gz 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/nfs/dbraw/zinc/77/97/77/643779777.db2.gz NOCCXVURCVQFFT-JVVDXDAESA-N 0 3 303.293 2.275 20 30 DEEDHN C#CCOc1ccccc1CNC[C@@H](O)CC1(CO)CCCC1 ZINC000905116436 643794754 /nfs/dbraw/zinc/79/47/54/643794754.db2.gz FNCUBPIIDPDTBU-KRWDZBQOSA-N 0 3 317.429 2.092 20 30 DEEDHN CCOC1CC(C(=O)C(C#N)C(=O)NCc2cccc(C)c2)C1 ZINC000805926643 643862956 /nfs/dbraw/zinc/86/29/56/643862956.db2.gz VCSNINIIEVUBJZ-GPANFISMSA-N 0 3 314.385 2.135 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC)n2)cc1 ZINC000791771547 644027734 /nfs/dbraw/zinc/02/77/34/644027734.db2.gz OCKJMVQJIMEOGB-ZDUSSCGKSA-N 0 3 324.340 2.009 20 30 DEEDHN C#CCN(C(=O)c1ccnn1-c1ccccc1)C1CCN(C)CC1 ZINC000906452627 644254785 /nfs/dbraw/zinc/25/47/85/644254785.db2.gz WTUHRLNSIRQUPP-UHFFFAOYSA-N 0 3 322.412 2.042 20 30 DEEDHN COCCN1CCC[C@H]1CNC(=O)c1cc(C)c(C#N)c(C)c1 ZINC000906573770 644289402 /nfs/dbraw/zinc/28/94/02/644289402.db2.gz RNDULDJMTRIGEG-INIZCTEOSA-N 0 3 315.417 2.016 20 30 DEEDHN CN1CCN(c2ccc(C=NNCCC(F)(F)F)cc2)CC1 ZINC000794546799 644434314 /nfs/dbraw/zinc/43/43/14/644434314.db2.gz CEUNYEOAMJBJOC-UHFFFAOYSA-N 0 3 314.355 2.314 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N[C@H](C)CN(C)CCCC)cc1 ZINC000907197444 644467039 /nfs/dbraw/zinc/46/70/39/644467039.db2.gz KDZRZNDDOBTTTD-CQSZACIVSA-N 0 3 308.447 2.067 20 30 DEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000796631712 644768154 /nfs/dbraw/zinc/76/81/54/644768154.db2.gz ILVKOICCNUAJBT-JGGQBBKZSA-N 0 3 302.374 2.073 20 30 DEEDHN C[C@@H](Cn1ccc2ccccc21)C(=O)C(C#N)C(=O)NC1CC1 ZINC000796794385 644795078 /nfs/dbraw/zinc/79/50/78/644795078.db2.gz TYEMJXYZXWFTDM-SWLSCSKDSA-N 0 3 309.369 2.265 20 30 DEEDHN COc1cc(CNC(=O)C(C)(C)N2CCCCC2)ccc1C#N ZINC000908286264 644811067 /nfs/dbraw/zinc/81/10/67/644811067.db2.gz QUVXQHYGESEIJE-UHFFFAOYSA-N 0 3 315.417 2.448 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000797071051 644833600 /nfs/dbraw/zinc/83/36/00/644833600.db2.gz PNEHRTLCBFODAM-KGLIPLIRSA-N 0 3 321.442 2.315 20 30 DEEDHN CCN1CCOC[C@@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566870 644896145 /nfs/dbraw/zinc/89/61/45/644896145.db2.gz BIEQPCSELGPTRJ-VXGBXAGGSA-N 0 3 321.446 2.338 20 30 DEEDHN C#CCCCc1nnc(N2CCN([C@H](C)CC)CC2)n1CC ZINC000908878969 645023721 /nfs/dbraw/zinc/02/37/21/645023721.db2.gz MVGABWGPKZEANV-OAHLLOKOSA-N 0 3 303.454 2.174 20 30 DEEDHN C#Cc1ccc(CN2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843433195 650974436 /nfs/dbraw/zinc/97/44/36/650974436.db2.gz WUDDKKNJJRBFKH-OAHLLOKOSA-N 0 3 310.319 2.168 20 30 DEEDHN CC(N=Nc1cc(Cl)nc(N)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113915 645126700 /nfs/dbraw/zinc/12/67/00/645126700.db2.gz YFNPVPJFWDLTMH-UHFFFAOYSA-N 0 3 321.728 2.039 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000801932202 645464226 /nfs/dbraw/zinc/46/42/26/645464226.db2.gz WURHPIXJTDPOJI-ZDUSSCGKSA-N 0 3 319.380 2.405 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000801938221 645464988 /nfs/dbraw/zinc/46/49/88/645464988.db2.gz 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/nfs/dbraw/zinc/16/43/87/646164387.db2.gz UYOKQQFLRYOMCD-KBPBESRZSA-N 0 3 307.353 2.470 20 30 DEEDHN C#Cc1ccc(CNc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000809600806 646244996 /nfs/dbraw/zinc/24/49/96/646244996.db2.gz PVABEQOOGFIDSQ-UHFFFAOYSA-N 0 3 307.397 2.441 20 30 DEEDHN CCN(CC)CCS(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000810056928 646317162 /nfs/dbraw/zinc/31/71/62/646317162.db2.gz MHFMRSISRUKQCD-UHFFFAOYSA-N 0 3 316.810 2.262 20 30 DEEDHN C[C@H](SCc1ccccc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000129522758 646345860 /nfs/dbraw/zinc/34/58/60/646345860.db2.gz FQCNGRITCFXBDA-FZMZJTMJSA-N 0 3 302.399 2.296 20 30 DEEDHN CCOC(=O)NCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000054736027 646395526 /nfs/dbraw/zinc/39/55/26/646395526.db2.gz BQTUSVCVDDMMLK-SNVBAGLBSA-N 0 3 301.302 2.140 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)SC ZINC000156350424 646412624 /nfs/dbraw/zinc/41/26/24/646412624.db2.gz WZAOWHKCJKIYAB-GHMZBOCLSA-N 0 3 306.387 2.484 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@@H]1C ZINC000947857937 646454148 /nfs/dbraw/zinc/45/41/48/646454148.db2.gz USGJPWPJIVDHTK-SWLSCSKDSA-N 0 3 310.401 2.087 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3coc(OCC)n3)CCC[C@@H]12 ZINC000991590938 646524924 /nfs/dbraw/zinc/52/49/24/646524924.db2.gz FMDQLVWLFUBSJH-PBHICJAKSA-N 0 3 319.405 2.376 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3cc(C)n(CC)c3C)CCC[C@@H]12 ZINC000991681507 646580887 /nfs/dbraw/zinc/58/08/87/646580887.db2.gz PFDFQVROWAEJMQ-IEBWSBKVSA-N 0 3 313.445 2.485 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(COC)o3)CCC[C@@H]12 ZINC000991758549 646613669 /nfs/dbraw/zinc/61/36/69/646613669.db2.gz XCOLBOWXXRHFLQ-WBVHZDCISA-N 0 3 304.390 2.339 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3ccn4ccccc34)CCC[C@@H]12 ZINC000991781615 646622834 /nfs/dbraw/zinc/62/28/34/646622834.db2.gz LQXHOYXJSOLFCR-IEBWSBKVSA-N 0 3 307.397 2.299 20 30 DEEDHN COC(=O)N(C)CCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171530560 646703882 /nfs/dbraw/zinc/70/38/82/646703882.db2.gz WJHXYZRZCCHNJT-LLVKDONJSA-N 0 3 315.329 2.482 20 30 DEEDHN COC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000813060103 646723110 /nfs/dbraw/zinc/72/31/10/646723110.db2.gz POKVQUWYEDLRLT-ZOWXZIJZSA-N 0 3 318.373 2.261 20 30 DEEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000173330008 646765398 /nfs/dbraw/zinc/76/53/98/646765398.db2.gz XASUDUQXGRRHFS-UHFFFAOYSA-N 0 3 312.417 2.045 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000173983938 646786404 /nfs/dbraw/zinc/78/64/04/646786404.db2.gz OQWIWJIXHNPGTJ-KGYLQXTDSA-N 0 3 306.312 2.302 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCO[C@H]3C3CC3)CCC[C@H]12 ZINC000991954574 646797632 /nfs/dbraw/zinc/79/76/32/646797632.db2.gz JSTDBIHONHUCSF-MUQADHOPSA-N 0 3 304.434 2.101 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CCc4cccnc43)CCC[C@H]12 ZINC000992160709 646879072 /nfs/dbraw/zinc/87/90/72/646879072.db2.gz OPBRFAPNDGNDLL-ABSDTBQOSA-N 0 3 323.440 2.248 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCc4cccnc43)CCC[C@H]12 ZINC000992164176 646879714 /nfs/dbraw/zinc/87/97/14/646879714.db2.gz 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646930612 /nfs/dbraw/zinc/93/06/12/646930612.db2.gz VALRIKPDEDJTAN-NVXWUHKLSA-N 0 3 319.405 2.124 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cccn4ccnc34)CCC[C@@H]12 ZINC000992330993 646948599 /nfs/dbraw/zinc/94/85/99/646948599.db2.gz PIMQQQCUXNPQIA-CRAIPNDOSA-N 0 3 310.401 2.247 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc4c(c3)COC4)CCC[C@H]12 ZINC000992335794 646950620 /nfs/dbraw/zinc/95/06/20/646950620.db2.gz HPLLDGZTDUFTGZ-AZUAARDMSA-N 0 3 324.424 2.467 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ncccc3OC)CCC[C@H]12 ZINC000992427712 646996336 /nfs/dbraw/zinc/99/63/36/646996336.db2.gz ALGSXHNGKMXCHQ-MAUKXSAKSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCC(F)(F)C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000815558612 647030163 /nfs/dbraw/zinc/03/01/63/647030163.db2.gz IUPMKFJXAQTNSD-UHFFFAOYSA-N 0 3 316.392 2.349 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3Cc4cccnc4C3)CCC[C@H]12 ZINC000992465513 647038702 /nfs/dbraw/zinc/03/87/02/647038702.db2.gz RLENYJPHDXULDK-VDZJLULYSA-N 0 3 311.429 2.096 20 30 DEEDHN C=CCC(F)(F)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000815767359 647048596 /nfs/dbraw/zinc/04/85/96/647048596.db2.gz LLSJRQPIVDSQKE-STQMWFEESA-N 0 3 304.381 2.203 20 30 DEEDHN CCc1ccc(C#CC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000815878299 647060595 /nfs/dbraw/zinc/06/05/95/647060595.db2.gz AORPJPQHVKWYRH-IAGOWNOFSA-N 0 3 316.470 2.105 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)Cc1cnc2ccccc2n1 ZINC000815909588 647064936 /nfs/dbraw/zinc/06/49/36/647064936.db2.gz CSGMVVPVGULKTC-TZMCWYRMSA-N 0 3 324.384 2.042 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000818602843 647486365 /nfs/dbraw/zinc/48/63/65/647486365.db2.gz HKLKATYYXJNZNY-CQSZACIVSA-N 0 3 322.836 2.487 20 30 DEEDHN CC(C)=CCN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993182951 647486861 /nfs/dbraw/zinc/48/68/61/647486861.db2.gz GMKLTCSCZNGAAB-CZUORRHYSA-N 0 3 300.406 2.435 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H]1C ZINC000993367147 647629467 /nfs/dbraw/zinc/62/94/67/647629467.db2.gz 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/nfs/dbraw/zinc/51/16/73/652511673.db2.gz FWOWPAHVFHNETC-UHFFFAOYSA-N 0 3 309.417 2.156 20 30 DEEDHN Cn1ncc2c1CC(C)(C)CN(C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000854058241 652636987 /nfs/dbraw/zinc/63/69/87/652636987.db2.gz HZBGPMOAQKELOI-GOSISDBHSA-N 0 3 324.428 2.410 20 30 DEEDHN CC(C)c1cccc(CNC[C@@H](C)N(C)C(=O)[C@H](C)C#N)n1 ZINC001392049835 1156857493 /nfs/dbraw/zinc/85/74/93/1156857493.db2.gz LEOBOQKGQGDZIA-ZIAGYGMSSA-N 0 3 302.422 2.301 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1ccncn1 ZINC001394021774 1158170402 /nfs/dbraw/zinc/17/04/02/1158170402.db2.gz QHKATPGGQHOZIJ-UHFFFAOYSA-N 0 3 324.856 2.236 20 30 DEEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928452886 693784094 /nfs/dbraw/zinc/78/40/94/693784094.db2.gz NQULITOXDIVRPQ-SMDDNHRTSA-N 0 3 312.373 2.073 20 30 DEEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000076838409 683946857 /nfs/dbraw/zinc/94/68/57/683946857.db2.gz SYHGJLPPYATJRZ-DOMZBBRYSA-N 0 3 302.374 2.456 20 30 DEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccncc1 ZINC000137221906 684243672 /nfs/dbraw/zinc/24/36/72/684243672.db2.gz OKKXWRVNMSMBAT-TZMCWYRMSA-N 0 3 308.341 2.318 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1scnc1C)C2 ZINC001054092084 693840532 /nfs/dbraw/zinc/84/05/32/693840532.db2.gz DWSGKNCSHCLXTR-INIZCTEOSA-N 0 3 303.431 2.013 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccncc1F)C2 ZINC001054108283 693848314 /nfs/dbraw/zinc/84/83/14/693848314.db2.gz RKSKDJRCZLCYLS-SFHVURJKSA-N 0 3 315.392 2.172 20 30 DEEDHN CC[C@H](F)CN1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130509 693857105 /nfs/dbraw/zinc/85/71/05/693857105.db2.gz RHNQWLDMXRQPLX-WMZOPIPTSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1CCC(F)CC1)C2 ZINC001054191921 693876198 /nfs/dbraw/zinc/87/61/98/693876198.db2.gz OYOGZTQLJMTNLG-HTWSVDAQSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ncoc1C(C)C)C2 ZINC001054225515 693890185 /nfs/dbraw/zinc/89/01/85/693890185.db2.gz YRIDVNNVJUVLHB-GOSISDBHSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cccc1)C2 ZINC001054230078 693892680 /nfs/dbraw/zinc/89/26/80/693892680.db2.gz LSUHOOJBLXNMQK-MJGOQNOKSA-N 0 3 313.445 2.387 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)n(C)c1C)C2 ZINC001054238023 693895095 /nfs/dbraw/zinc/89/50/95/693895095.db2.gz JVMLIDVBABZHHL-IBGZPJMESA-N 0 3 313.445 2.203 20 30 DEEDHN COCCN1CCC[C@H]1COC(=O)c1ccc(C)c(C#N)c1 ZINC000861037140 685989449 /nfs/dbraw/zinc/98/94/49/685989449.db2.gz YXHPPDQXZAUQOU-INIZCTEOSA-N 0 3 302.374 2.134 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(Cl)c(F)c1 ZINC000861837833 686190989 /nfs/dbraw/zinc/19/09/89/686190989.db2.gz KCBNLSWLQUUUCZ-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000862395920 686291222 /nfs/dbraw/zinc/29/12/22/686291222.db2.gz YCMFOVCMHWJBQJ-CVEARBPZSA-N 0 3 318.465 2.174 20 30 DEEDHN C[C@]1(CN2CCN(c3ccc(C#N)nc3)CC2)CCCS1 ZINC000862422626 686299046 /nfs/dbraw/zinc/29/90/46/686299046.db2.gz DJBNFEHHKSTYKM-MRXNPFEDSA-N 0 3 302.447 2.361 20 30 DEEDHN C[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054662395 694018312 /nfs/dbraw/zinc/01/83/12/694018312.db2.gz HASDJVUBKRAEEV-BLLLJJGKSA-N 0 3 315.392 2.434 20 30 DEEDHN COCC(COC)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000863196506 686444059 /nfs/dbraw/zinc/44/40/59/686444059.db2.gz LNFBJQIACYTSLO-UHFFFAOYSA-N 0 3 305.422 2.262 20 30 DEEDHN C#CCCCCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000863492117 686509826 /nfs/dbraw/zinc/50/98/26/686509826.db2.gz LQNDADCDACYXTK-UHFFFAOYSA-N 0 3 306.450 2.283 20 30 DEEDHN N#Cc1cc([O-])ccc1-c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000863722742 686559324 /nfs/dbraw/zinc/55/93/24/686559324.db2.gz LNEORGQGXXNDQT-CYBMUJFWSA-N 0 3 322.368 2.264 20 30 DEEDHN C=CCN1CCC(NC(=O)C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000865194270 686964572 /nfs/dbraw/zinc/96/45/72/686964572.db2.gz STHVMRYGZXZBMZ-INIZCTEOSA-N 0 3 306.450 2.492 20 30 DEEDHN CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)[C@@H]1CN2CCC1CC2 ZINC000865712826 687309741 /nfs/dbraw/zinc/30/97/41/687309741.db2.gz IADRMMFFJVSVIK-QGZVFWFLSA-N 0 3 308.385 2.206 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001015918538 687463999 /nfs/dbraw/zinc/46/39/99/687463999.db2.gz CMTOZQGWCWFIDI-MRXNPFEDSA-N 0 3 312.413 2.400 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001015932006 687469498 /nfs/dbraw/zinc/46/94/98/687469498.db2.gz QMLUNQZPEOURCG-MRXNPFEDSA-N 0 3 310.401 2.253 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001016025461 687503925 /nfs/dbraw/zinc/50/39/25/687503925.db2.gz XHKNRYJXLKZCII-MRXNPFEDSA-N 0 3 302.393 2.317 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001016062008 687514468 /nfs/dbraw/zinc/51/44/68/687514468.db2.gz AQQULAKWJVAZRW-HZPDHXFCSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001016176856 687549825 /nfs/dbraw/zinc/54/98/25/687549825.db2.gz FHJRFHZIUINHGJ-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CC23CCN(C/C=C/Cl)CC3)c1 ZINC001016561585 687652340 /nfs/dbraw/zinc/65/23/40/687652340.db2.gz GUMSZXUJYGAOFN-KHZFFFCDSA-N 0 3 318.808 2.223 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C(F)F)nc2)CC1 ZINC001016655354 687675680 /nfs/dbraw/zinc/67/56/80/687675680.db2.gz WBFUUULRUVBTHQ-AWEZNQCLSA-N 0 3 319.355 2.237 20 30 DEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1coc(C#N)c1 ZINC000866761030 687679353 /nfs/dbraw/zinc/67/93/53/687679353.db2.gz KGJHRCGQSBPTLM-UHFFFAOYSA-N 0 3 313.357 2.061 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3c(cn2)CCCC3)CC1 ZINC001016721363 687690295 /nfs/dbraw/zinc/69/02/95/687690295.db2.gz IPUZWMQQOKDDHY-GOSISDBHSA-N 0 3 323.440 2.178 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2nc(Cl)cs2)CC1 ZINC001016790831 687703454 /nfs/dbraw/zinc/70/34/54/687703454.db2.gz JSZHZWMTNSRPHF-NSHDSACASA-N 0 3 323.849 2.404 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3cccnc32)CC1 ZINC001016798003 687705168 /nfs/dbraw/zinc/70/51/68/687705168.db2.gz ISDSWOZWJUOPNY-IRXDYDNUSA-N 0 3 323.440 2.105 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001016830084 687711455 /nfs/dbraw/zinc/71/14/55/687711455.db2.gz PMGFQUGARLXHRN-QGZVFWFLSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)cc2F)CC1 ZINC001016847052 687716887 /nfs/dbraw/zinc/71/68/87/687716887.db2.gz IHNKJSXECQJPJF-MRXNPFEDSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3[nH]ccc3s2)CC1 ZINC001016948910 687740838 /nfs/dbraw/zinc/74/08/38/687740838.db2.gz XRKWJKXXBXMMAZ-OAHLLOKOSA-N 0 3 313.426 2.447 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)Cc2ccc(F)cc2)CC1 ZINC001016954641 687742387 /nfs/dbraw/zinc/74/23/87/687742387.db2.gz DDRIPPVJECONLW-QGZVFWFLSA-N 0 3 314.404 2.362 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC001016963994 687743957 /nfs/dbraw/zinc/74/39/57/687743957.db2.gz UPWYAZGQDQRAPA-LJQANCHMSA-N 0 3 322.452 2.322 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3c2CCC3)CC1 ZINC001016998581 687753020 /nfs/dbraw/zinc/75/30/20/687753020.db2.gz RSGHETZIBMJLKT-SFHVURJKSA-N 0 3 308.425 2.393 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@@H](NC(=O)C[C@@H]1NCc3ccccc31)C2 ZINC000868038435 687887178 /nfs/dbraw/zinc/88/71/78/687887178.db2.gz SKQSCJYQIRSXTK-HKUYNNGSSA-N 0 3 317.392 2.376 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(CC)c1 ZINC001018167818 688069388 /nfs/dbraw/zinc/06/93/88/688069388.db2.gz KDIGMJXGRIEZIP-CALCHBBNSA-N 0 3 316.449 2.087 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc(Cl)cn1 ZINC001018307392 688106542 /nfs/dbraw/zinc/10/65/42/688106542.db2.gz VRDDMDLXNRUHJQ-GASCZTMLSA-N 0 3 322.840 2.178 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1OC ZINC001018330747 688111365 /nfs/dbraw/zinc/11/13/65/688111365.db2.gz RIYMUWHJJUGGAP-VVLHAWIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1OC ZINC001018330750 688111652 /nfs/dbraw/zinc/11/16/52/688111652.db2.gz RIYMUWHJJUGGAP-YVSFHVDLSA-N 0 3 306.450 2.443 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)c3ccccn3)C2)ccc1F ZINC001018404642 688126640 /nfs/dbraw/zinc/12/66/40/688126640.db2.gz KJLFFXKLUFOSNA-HNNXBMFYSA-N 0 3 324.359 2.097 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3ccco3)C2)cc1F ZINC001018420141 688132045 /nfs/dbraw/zinc/13/20/45/688132045.db2.gz BXLOONXBYBMAGG-AWEZNQCLSA-N 0 3 313.332 2.295 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)/C=C/C3CC3)C2)cc1F ZINC001018667241 688200042 /nfs/dbraw/zinc/20/00/42/688200042.db2.gz JWTJVMIBVKQBRU-NBUZRDOWSA-N 0 3 313.376 2.354 20 30 DEEDHN C[C@@H](C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1)C1CC1 ZINC001018674341 688203150 /nfs/dbraw/zinc/20/31/50/688203150.db2.gz XNRMKVSBOSDYEH-YPMHNXCESA-N 0 3 303.431 2.356 20 30 DEEDHN CC1CC(C(=O)N2CC[C@H](NCc3ccc(F)c(C#N)c3)C2)C1 ZINC001018693559 688209064 /nfs/dbraw/zinc/20/90/64/688209064.db2.gz NBWOWFOBMWADHN-PXCJXSSVSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001018969209 688263689 /nfs/dbraw/zinc/26/36/89/688263689.db2.gz RZVXEGVMCZZIAT-ZDUSSCGKSA-N 0 3 316.430 2.135 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC001019699706 688395553 /nfs/dbraw/zinc/39/55/53/688395553.db2.gz OTKQJRSWPQVXLH-WCWCZOKXSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cscc2C(F)(F)F)C1 ZINC001019894431 688419939 /nfs/dbraw/zinc/41/99/39/688419939.db2.gz FGFWYHIVAPGQDO-VIFPVBQESA-N 0 3 302.321 2.204 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001020080248 688460117 /nfs/dbraw/zinc/46/01/17/688460117.db2.gz PMEIKZQBGDUXBE-GMTAPVOTSA-N 0 3 301.228 2.178 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001020239752 688489295 /nfs/dbraw/zinc/48/92/95/688489295.db2.gz GFBMZUKUWSBPOA-ZKCHVHJHSA-N 0 3 322.718 2.031 20 30 DEEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000870124677 688490633 /nfs/dbraw/zinc/49/06/33/688490633.db2.gz ZLSILTWRHFDDER-QWRGUYRKSA-N 0 3 301.371 2.387 20 30 DEEDHN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000870143389 688497100 /nfs/dbraw/zinc/49/71/00/688497100.db2.gz UQNBWPSCEYVBFE-YGRLFVJLSA-N 0 3 316.332 2.022 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001022114115 688516674 /nfs/dbraw/zinc/51/66/74/688516674.db2.gz QRFPUXYGPBPTAX-UPJWGTAASA-N 0 3 322.840 2.383 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001028839027 688544886 /nfs/dbraw/zinc/54/48/86/688544886.db2.gz OXUCZPODHGBZHB-MRXNPFEDSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(OCC)c2)C1 ZINC001028836523 688545180 /nfs/dbraw/zinc/54/51/80/688545180.db2.gz XCCWPIMMGYQBKJ-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2sc(C(C)C)nc2C)C1 ZINC001028981607 688546887 /nfs/dbraw/zinc/54/68/87/688546887.db2.gz OYRNCCZWRLOUGY-CYBMUJFWSA-N 0 3 305.447 2.260 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001029012465 688548753 /nfs/dbraw/zinc/54/87/53/688548753.db2.gz LWIPAJDDNGBXCF-JCGIZDLHSA-N 0 3 314.404 2.391 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001029001020 688548855 /nfs/dbraw/zinc/54/88/55/688548855.db2.gz OGOXGAFKNZJXMU-ZDUSSCGKSA-N 0 3 320.820 2.424 20 30 DEEDHN C#CCCCCCC(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000870667499 688620066 /nfs/dbraw/zinc/62/00/66/688620066.db2.gz YIMDDJGWKNCWNI-UHFFFAOYSA-N 0 3 314.433 2.356 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H]1CNCc3ccccc31)C2 ZINC000871012525 688709772 /nfs/dbraw/zinc/70/97/72/688709772.db2.gz XEMDMMJSLQZBNQ-HKUYNNGSSA-N 0 3 317.392 2.029 20 30 DEEDHN C[C@H](c1ccccc1)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602505 688960176 /nfs/dbraw/zinc/96/01/76/688960176.db2.gz FDUOVUOQDXZKGG-CYBMUJFWSA-N 0 3 308.385 2.309 20 30 DEEDHN CN(CCCOc1ccc(C#N)cc1)[C@@H]1CCCCN(C)C1=O ZINC000872263612 688968006 /nfs/dbraw/zinc/96/80/06/688968006.db2.gz RGGADRNPUHMUOX-QGZVFWFLSA-N 0 3 315.417 2.270 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001031983311 689034893 /nfs/dbraw/zinc/03/48/93/689034893.db2.gz WAICGKVHHFMKNG-UHFFFAOYSA-N 0 3 313.445 2.452 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001032012920 689041681 /nfs/dbraw/zinc/04/16/81/689041681.db2.gz ULXMLIMMONITOZ-UHFFFAOYSA-N 0 3 317.311 2.240 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001032116303 689066105 /nfs/dbraw/zinc/06/61/05/689066105.db2.gz MYSGIUNNWNOCHQ-UHFFFAOYSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(C)nc3ccccc32)C1 ZINC001032170612 689076943 /nfs/dbraw/zinc/07/69/43/689076943.db2.gz JUNDSHUZCAYIQL-UHFFFAOYSA-N 0 3 307.397 2.228 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001032226476 689087606 /nfs/dbraw/zinc/08/76/06/689087606.db2.gz LRHAXQQQJJCMEB-UHFFFAOYSA-N 0 3 314.404 2.391 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1CCC ZINC001032497394 689167832 /nfs/dbraw/zinc/16/78/32/689167832.db2.gz INAUZTHUXGFOIE-GJZGRUSLSA-N 0 3 316.449 2.238 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCO1 ZINC001032557321 689185791 /nfs/dbraw/zinc/18/57/91/689185791.db2.gz GJSOBKRJUIPDHG-JYJNAYRXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(OC)c1 ZINC001032591055 689195006 /nfs/dbraw/zinc/19/50/06/689195006.db2.gz MFSUVOICPALMIR-HOTGVXAUSA-N 0 3 315.417 2.264 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1Cl ZINC001032681879 689223289 /nfs/dbraw/zinc/22/32/89/689223289.db2.gz OSIBYPRZVXGBPS-RYUDHWBXSA-N 0 3 309.797 2.040 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2cccc(C)c2n1 ZINC001032683207 689223366 /nfs/dbraw/zinc/22/33/66/689223366.db2.gz UDLANQUWRHAWOW-IRXDYDNUSA-N 0 3 324.428 2.046 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)noc1C ZINC001032774885 689256400 /nfs/dbraw/zinc/25/64/00/689256400.db2.gz VRVAZBZBHPYFPY-HOTGVXAUSA-N 0 3 317.433 2.475 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032815758 689270414 /nfs/dbraw/zinc/27/04/14/689270414.db2.gz OFZAZGRAUXUFLN-YQQAZPJKSA-N 0 3 312.413 2.414 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033071759 689376275 /nfs/dbraw/zinc/37/62/75/689376275.db2.gz HKFQTQFVKZCQGC-CQSZACIVSA-N 0 3 303.406 2.276 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001033092954 689385321 /nfs/dbraw/zinc/38/53/21/689385321.db2.gz QSOIDWGOUOGTTL-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN N#Cc1cccc(OC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000874380161 689396152 /nfs/dbraw/zinc/39/61/52/689396152.db2.gz SIELDEWDNSIYNE-UHFFFAOYSA-N 0 3 313.401 2.024 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(OC(C)C)nc2)C1 ZINC001033130102 689399067 /nfs/dbraw/zinc/39/90/67/689399067.db2.gz SGPDXKFCCHYJEI-INIZCTEOSA-N 0 3 315.417 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001033189814 689417986 /nfs/dbraw/zinc/41/79/86/689417986.db2.gz CNNTVXJZWDEZJN-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001033211948 689427354 /nfs/dbraw/zinc/42/73/54/689427354.db2.gz MUGTVHRHYOMZOX-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001033221150 689428953 /nfs/dbraw/zinc/42/89/53/689428953.db2.gz JUTANFJFEYRLLG-HNNXBMFYSA-N 0 3 304.438 2.361 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C(C)C)nn2CC)C1 ZINC001033226936 689431039 /nfs/dbraw/zinc/43/10/39/689431039.db2.gz YOHKBQWNFVVLNR-HNNXBMFYSA-N 0 3 316.449 2.196 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc3ncccc23)C1 ZINC001033254734 689439701 /nfs/dbraw/zinc/43/97/01/689439701.db2.gz GDEBBHGORMIYGL-INIZCTEOSA-N 0 3 309.413 2.496 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2OC)C1 ZINC001033310767 689457291 /nfs/dbraw/zinc/45/72/91/689457291.db2.gz BNZZNATZHQKDTC-AWEZNQCLSA-N 0 3 304.365 2.004 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001033357401 689475155 /nfs/dbraw/zinc/47/51/55/689475155.db2.gz FLIHUDPHFJMBBQ-OAHLLOKOSA-N 0 3 312.417 2.214 20 30 DEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874821066 689499091 /nfs/dbraw/zinc/49/90/91/689499091.db2.gz IQEYZIZYOIQALI-SJORKVTESA-N 0 3 308.385 2.348 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033442435 689499582 /nfs/dbraw/zinc/49/95/82/689499582.db2.gz DRGQYEZVCQBZHW-GFCCVEGCSA-N 0 3 310.319 2.274 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000874824176 689499904 /nfs/dbraw/zinc/49/99/04/689499904.db2.gz DLOJBKYYLDKGJL-MHORFTMASA-N 0 3 309.413 2.357 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001033460294 689507959 /nfs/dbraw/zinc/50/79/59/689507959.db2.gz NEAWBQDDZOVQSZ-OALUTQOASA-N 0 3 310.441 2.348 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3nccnc32)C1 ZINC001033534253 689534463 /nfs/dbraw/zinc/53/44/63/689534463.db2.gz LGHJTRCHUPNDMW-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001033558302 689543027 /nfs/dbraw/zinc/54/30/27/689543027.db2.gz OHVHDBDLRDYHCF-KRWDZBQOSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033581687 689550503 /nfs/dbraw/zinc/55/05/03/689550503.db2.gz GWRBZWRTULHBPD-KRWDZBQOSA-N 0 3 309.413 2.417 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001033594584 689554971 /nfs/dbraw/zinc/55/49/71/689554971.db2.gz FUHXEMGLRCHWRH-INIZCTEOSA-N 0 3 312.417 2.145 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(OC)cc2)C1 ZINC001033611194 689559303 /nfs/dbraw/zinc/55/93/03/689559303.db2.gz MZFSVSFQCLYWCN-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033619875 689561961 /nfs/dbraw/zinc/56/19/61/689561961.db2.gz AEFIUMAGDDIZCQ-HNNXBMFYSA-N 0 3 304.459 2.463 20 30 DEEDHN CC#CCN1CC[C@@H](N(CC)C(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001033833478 689630691 /nfs/dbraw/zinc/63/06/91/689630691.db2.gz OOLVXKFCFOLTKU-OAHLLOKOSA-N 0 3 316.449 2.168 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001033836100 689632296 /nfs/dbraw/zinc/63/22/96/689632296.db2.gz FCDPWYQDFIGEBK-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnn2CCC)C1 ZINC001033841584 689633945 /nfs/dbraw/zinc/63/39/45/689633945.db2.gz ADMFXSJWIBBZDI-OAHLLOKOSA-N 0 3 304.438 2.406 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnc3ccccc3n2)C1 ZINC001033856199 689640437 /nfs/dbraw/zinc/64/04/37/689640437.db2.gz RZSDMQTYJPVKQI-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCc3nccn32)C1 ZINC001033856385 689640487 /nfs/dbraw/zinc/64/04/87/689640487.db2.gz SBNRXJLIQKQIMX-JKSUJKDBSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCn1cccc1C(=O)N(CC)[C@@H]1CCN([C@@H](C)COC)C1 ZINC001033858905 689641315 /nfs/dbraw/zinc/64/13/15/689641315.db2.gz NAGBUTAWNVYYFJ-JKSUJKDBSA-N 0 3 319.449 2.245 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cncc(COC)c2)C1 ZINC001033860242 689641357 /nfs/dbraw/zinc/64/13/57/689641357.db2.gz UVPSOAVZZOUZEA-KRWDZBQOSA-N 0 3 317.433 2.341 20 30 DEEDHN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN([C@@H](C)COC)C1 ZINC001033858903 689641653 /nfs/dbraw/zinc/64/16/53/689641653.db2.gz NAGBUTAWNVYYFJ-HOTGVXAUSA-N 0 3 319.449 2.245 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccsc2COC)C1 ZINC001033874853 689646260 /nfs/dbraw/zinc/64/62/60/689646260.db2.gz KINMUPURMNLHBC-CQSZACIVSA-N 0 3 320.458 2.454 20 30 DEEDHN C#CC[C@H](COC)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000875572588 689652217 /nfs/dbraw/zinc/65/22/17/689652217.db2.gz HBCCPGXWZPWBGS-UAGQMJEPSA-N 0 3 317.433 2.015 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnc(N(C)C)c2)C1 ZINC001033975268 689679921 /nfs/dbraw/zinc/67/99/21/689679921.db2.gz DYXYRCURHBLDAT-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3cccnn32)C1 ZINC001033977467 689681282 /nfs/dbraw/zinc/68/12/82/689681282.db2.gz QEZRWTSDJKYHOT-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001034013695 689692471 /nfs/dbraw/zinc/69/24/71/689692471.db2.gz QRPQUZZYOHHZIF-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001034016729 689694809 /nfs/dbraw/zinc/69/48/09/689694809.db2.gz NXSKVNYHAMLDHE-GJZGRUSLSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001034016729 689694812 /nfs/dbraw/zinc/69/48/12/689694812.db2.gz NXSKVNYHAMLDHE-GJZGRUSLSA-N 0 3 316.449 2.014 20 30 DEEDHN C#CC[C@@H](COC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000875924309 689718208 /nfs/dbraw/zinc/71/82/08/689718208.db2.gz QFBXPONWHKUGOU-KRWDZBQOSA-N 0 3 323.481 2.178 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(OCC)nc2)C1 ZINC001034232308 689773969 /nfs/dbraw/zinc/77/39/69/689773969.db2.gz VMFYJOLJBORUMW-MRXNPFEDSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001034252554 689782593 /nfs/dbraw/zinc/78/25/93/689782593.db2.gz SEGRMQFPMBPDLB-HNNXBMFYSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001034294479 689799205 /nfs/dbraw/zinc/79/92/05/689799205.db2.gz VKSFVMGJLRYVCH-CYBMUJFWSA-N 0 3 302.422 2.059 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001034326459 689809332 /nfs/dbraw/zinc/80/93/32/689809332.db2.gz PMZGKWFVRXUILA-HNNXBMFYSA-N 0 3 300.402 2.376 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001034362338 689823330 /nfs/dbraw/zinc/82/33/30/689823330.db2.gz AFLHHUMOMKLJDD-HNNXBMFYSA-N 0 3 312.417 2.262 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000876581312 689864764 /nfs/dbraw/zinc/86/47/64/689864764.db2.gz GTFKTCTZTZZWEB-ZDUSSCGKSA-N 0 3 307.781 2.444 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000876699074 689907424 /nfs/dbraw/zinc/90/74/24/689907424.db2.gz PNRZMNCORHPCRY-BDAKNGLRSA-N 0 3 300.790 2.014 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000876601283 689872356 /nfs/dbraw/zinc/87/23/56/689872356.db2.gz ROPJNZCUWQQEDG-LBPRGKRZSA-N 0 3 309.753 2.052 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000876614561 689876778 /nfs/dbraw/zinc/87/67/78/689876778.db2.gz NXVCUYROSAZFLR-OAHLLOKOSA-N 0 3 318.808 2.018 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1noc(CC)n1 ZINC000876623020 689878983 /nfs/dbraw/zinc/87/89/83/689878983.db2.gz ABWUAEITQJAFHP-GHMZBOCLSA-N 0 3 312.801 2.156 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000876627815 689881658 /nfs/dbraw/zinc/88/16/58/689881658.db2.gz DEOVWRWTNPVNNT-ZNMIVQPWSA-N 0 3 308.809 2.493 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001034522759 689883309 /nfs/dbraw/zinc/88/33/09/689883309.db2.gz XGWCQOQHUAVGHC-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001034532224 689888417 /nfs/dbraw/zinc/88/84/17/689888417.db2.gz MEGHVXNHCGDEQF-GDBMZVCRSA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001034534684 689889487 /nfs/dbraw/zinc/88/94/87/689889487.db2.gz ACGJNGHKEJQBAF-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000876696374 689906409 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C#CCCN1C[C@@H]2CCCN(C(=O)c3nc(C)sc3C)[C@@H]2C1 ZINC001050075259 693101021 /nfs/dbraw/zinc/10/10/21/693101021.db2.gz BDHPEBGOTSUPBN-LSDHHAIUSA-N 0 3 317.458 2.320 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1 ZINC001050094540 693106814 /nfs/dbraw/zinc/10/68/14/693106814.db2.gz YRILPUGDWVRVIR-DLBZAZTESA-N 0 3 324.428 2.447 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCc3cncs3)[C@@H]2C1 ZINC001050138033 693117746 /nfs/dbraw/zinc/11/77/46/693117746.db2.gz NGLRLSHIEBCFMF-DZGCQCFKSA-N 0 3 305.447 2.185 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)Cc3ccc(CC)cn3)[C@@H]2C1 ZINC001050145186 693120405 /nfs/dbraw/zinc/12/04/05/693120405.db2.gz JQAPKBBTVYRPOJ-FUHWJXTLSA-N 0 3 313.445 2.295 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(C)nn3CC)[C@@H]2C1 ZINC001050147315 693121386 /nfs/dbraw/zinc/12/13/86/693121386.db2.gz CBKQAXYZVCRNLR-DOTOQJQBSA-N 0 3 316.449 2.324 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)[C@@H]2C1 ZINC001050212813 693140304 /nfs/dbraw/zinc/14/03/04/693140304.db2.gz MJLQYPJRLRLREQ-QMGHHKNQSA-N 0 3 312.457 2.225 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCc3cncc(F)c3)[C@@H]2C1 ZINC001050215238 693141253 /nfs/dbraw/zinc/14/12/53/693141253.db2.gz TVXQLJJUUHHZRE-DOTOQJQBSA-N 0 3 317.408 2.262 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(Cc1ccccc1F)CC2 ZINC001050462911 693188806 /nfs/dbraw/zinc/18/88/06/693188806.db2.gz DVTRMMVSNZFFHB-AWEZNQCLSA-N 0 3 315.392 2.410 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC001050463266 693188900 /nfs/dbraw/zinc/18/89/00/693188900.db2.gz MONQOIGSDZVHBE-AWEZNQCLSA-N 0 3 315.392 2.410 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H](F)C3)C2)CC1 ZINC001050521497 693199443 /nfs/dbraw/zinc/19/94/43/693199443.db2.gz ZZYVTQSWIVANLA-CVEARBPZSA-N 0 3 306.425 2.462 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)C2)CC1 ZINC001050570813 693208765 /nfs/dbraw/zinc/20/87/65/693208765.db2.gz KCMWMCSPYMLIAV-IKGGRYGDSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3c[nH]nc3C(C)C)C2)CC1 ZINC001050578049 693209792 /nfs/dbraw/zinc/20/97/92/693209792.db2.gz CXWLLBDJROTBGF-UHFFFAOYSA-N 0 3 314.433 2.094 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4[nH]ccc4n3)C2)CC1 ZINC001050590890 693213095 /nfs/dbraw/zinc/21/30/95/693213095.db2.gz MDBLXGDBUCFDRL-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc4ncccc4o3)C2)CC1 ZINC001050593342 693213129 /nfs/dbraw/zinc/21/31/29/693213129.db2.gz PFJPCEDNBVWZRV-UHFFFAOYSA-N 0 3 323.396 2.389 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)c3ccco3)C2)CC1 ZINC001050663507 693227497 /nfs/dbraw/zinc/22/74/97/693227497.db2.gz RVHUNKAOTUHPFI-HNNXBMFYSA-N 0 3 300.402 2.331 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccncc3Cl)C2)CC1 ZINC001050677494 693229611 /nfs/dbraw/zinc/22/96/11/693229611.db2.gz XLRBBJPLTOLOCI-UHFFFAOYSA-N 0 3 317.820 2.296 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CO[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC001050685068 693231597 /nfs/dbraw/zinc/23/15/97/693231597.db2.gz WWGKSZDRCOHCPX-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cncc(Cl)c3)C2)CC1 ZINC001050701069 693235042 /nfs/dbraw/zinc/23/50/42/693235042.db2.gz ROBQBMBCFSOSOO-UHFFFAOYSA-N 0 3 317.820 2.296 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CC4CCC3CC4)C2)CC1 ZINC001050767476 693247153 /nfs/dbraw/zinc/24/71/53/693247153.db2.gz SAKASINBKSCQRK-OFLPRAFFSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cnc(CC)s3)C2)CC1 ZINC001050770475 693247508 /nfs/dbraw/zinc/24/75/08/693247508.db2.gz GONYOXFGFULLHU-UHFFFAOYSA-N 0 3 317.458 2.267 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)C[C@@H]3CCCO3)C2)CC1 ZINC001050770667 693247590 /nfs/dbraw/zinc/24/75/90/693247590.db2.gz IQQWIHVBJBQYER-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)c3cc[nH]c3)cccc2C1 ZINC001051289095 693331269 /nfs/dbraw/zinc/33/12/69/693331269.db2.gz DMVSYKIFWWLBAI-UHFFFAOYSA-N 0 3 307.397 2.326 20 30 DEEDHN C=C(C)CCN1CCN([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001051973156 693421136 /nfs/dbraw/zinc/42/11/36/693421136.db2.gz UVCHSDCOEXPXLN-KRWDZBQOSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)C(CC)CC)C2)CC1 ZINC001051987343 693424009 /nfs/dbraw/zinc/42/40/09/693424009.db2.gz OGIQLZFTMHTKPF-KRWDZBQOSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C(C)CCN1CCN([C@H]2CCN(C(=O)C=C3CCC3)C2)CC1 ZINC001052011652 693428254 /nfs/dbraw/zinc/42/82/54/693428254.db2.gz XFVHVUMOECHIFS-SFHVURJKSA-N 0 3 317.477 2.281 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2csc([C@H](C)OC)n2)CC1 ZINC001052382650 693520555 /nfs/dbraw/zinc/52/05/55/693520555.db2.gz QUPMQHLKIJOSJJ-QWHCGFSZSA-N 0 3 321.446 2.068 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC001052386357 693521707 /nfs/dbraw/zinc/52/17/07/693521707.db2.gz NDRCDCOTOVNKSO-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1cc(C#N)ccn1 ZINC000926957516 693535742 /nfs/dbraw/zinc/53/57/42/693535742.db2.gz JBTAHMWYMJPXJB-GXFFZTMASA-N 0 3 300.328 2.486 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001052499062 693550560 /nfs/dbraw/zinc/55/05/60/693550560.db2.gz MWSKXFPUOUODRV-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC001052525799 693558575 /nfs/dbraw/zinc/55/85/75/693558575.db2.gz PGWAGRKGMMHQBB-AWEZNQCLSA-N 0 3 310.401 2.089 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C(C)(C)C2CCOCC2)CC1 ZINC001052540262 693561819 /nfs/dbraw/zinc/56/18/19/693561819.db2.gz CIZMIJDLPXACAJ-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC001052539859 693561883 /nfs/dbraw/zinc/56/18/83/693561883.db2.gz SMMMXXXNQBOXEZ-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C[C@@H](NCCNc1ccc(C#N)cn1)c1cccc2c1OCO2 ZINC000927167880 693564465 /nfs/dbraw/zinc/56/44/65/693564465.db2.gz OKTGQWBORAMUQI-GFCCVEGCSA-N 0 3 310.357 2.445 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C2([C@H]3CCCCO3)CCC2)CC1 ZINC001052555815 693566804 /nfs/dbraw/zinc/56/68/04/693566804.db2.gz YNBKMUZAQDBKAU-IAGOWNOFSA-N 0 3 318.461 2.330 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cccc3cccnc32)CC1 ZINC001052608789 693578609 /nfs/dbraw/zinc/57/86/09/693578609.db2.gz MXTDWIUQZDIZKZ-SFHVURJKSA-N 0 3 321.424 2.381 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccn(CC)c2C)CC1 ZINC001052647911 693588729 /nfs/dbraw/zinc/58/87/29/693588729.db2.gz NXWKPCBSVFMWAW-MRXNPFEDSA-N 0 3 301.434 2.424 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC001052665797 693591642 /nfs/dbraw/zinc/59/16/42/693591642.db2.gz FXRYDZFMXOUVJH-NSHDSACASA-N 0 3 310.319 2.321 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCN(C[C@H](F)CC)CC2)c1 ZINC001052695644 693597592 /nfs/dbraw/zinc/59/75/92/693597592.db2.gz KVBFMLQZTKQSSI-IAGOWNOFSA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2c(F)ccc(OC)c2F)CC1 ZINC001052885199 693639920 /nfs/dbraw/zinc/63/99/20/693639920.db2.gz PBYQXLWSABLHKH-GFCCVEGCSA-N 0 3 322.355 2.191 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc3ncccc3c2)CC1 ZINC000927673326 693648457 /nfs/dbraw/zinc/64/84/57/693648457.db2.gz ORLOTBHWPFPJMO-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2csc(CC)n2)CC1 ZINC001052954983 693655630 /nfs/dbraw/zinc/65/56/30/693655630.db2.gz XOIDZNWDQQEJPC-CQSZACIVSA-N 0 3 319.474 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2c[nH]nc2C)C1 ZINC001053091976 693688079 /nfs/dbraw/zinc/68/80/79/693688079.db2.gz DMIQZEMFEZGKKF-NVXWUHKLSA-N 0 3 314.433 2.058 20 30 DEEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2COC[C@@H]2C)c1C ZINC000932502737 694627361 /nfs/dbraw/zinc/62/73/61/694627361.db2.gz WSFNSBZTVZSWGD-GOEBONIOSA-N 0 3 315.417 2.175 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)COc1cccc2ccccc21 ZINC001331972032 1149802134 /nfs/dbraw/zinc/80/21/34/1149802134.db2.gz OWBHHOKNAOSUNV-CVEARBPZSA-N 0 3 301.386 2.370 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCOc2cccc(C)c2)C1 ZINC001332045110 1149812571 /nfs/dbraw/zinc/81/25/71/1149812571.db2.gz CCWJENSMFQXAJA-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC001332160748 1149827585 /nfs/dbraw/zinc/82/75/85/1149827585.db2.gz SCRSPEFCYKFSHI-RDJZCZTQSA-N 0 3 302.418 2.472 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C2(CCOCC)CCC2)CC1 ZINC001332984671 1149943852 /nfs/dbraw/zinc/94/38/52/1149943852.db2.gz GNADYXWGPIDKCQ-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC001334145325 1150210661 /nfs/dbraw/zinc/21/06/61/1150210661.db2.gz RMYKFIQPUZBRBR-AAEUAGOBSA-N 0 3 305.353 2.052 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC(C)(C)O2)CC1 ZINC001343140970 1150692185 /nfs/dbraw/zinc/69/21/85/1150692185.db2.gz TXSHGPFJFRMOAG-HNNXBMFYSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001343432296 1150741570 /nfs/dbraw/zinc/74/15/70/1150741570.db2.gz JZNAETKUHNNEJT-QGZVFWFLSA-N 0 3 324.428 2.441 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001344115593 1150797521 /nfs/dbraw/zinc/79/75/21/1150797521.db2.gz HGZVAQZFECHAEH-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1ccnc(N2CCCCC2)n1 ZINC001344875817 1150848568 /nfs/dbraw/zinc/84/85/68/1150848568.db2.gz ZOZJXRSELYGNPO-ZDUSSCGKSA-N 0 3 324.388 2.173 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cn(C)nc2C(F)F)CC1 ZINC001344909151 1150850909 /nfs/dbraw/zinc/85/09/09/1150850909.db2.gz IVXFEPJPAPTWQA-UHFFFAOYSA-N 0 3 313.352 2.130 20 30 DEEDHN N#Cc1cc(Cl)nc(N2CCN(CC3CCOCC3)CC2)c1 ZINC001347999939 1151112671 /nfs/dbraw/zinc/11/26/71/1151112671.db2.gz DMDOGNGZOXXRMA-UHFFFAOYSA-N 0 3 320.824 2.155 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCc2cccnc2)C1 ZINC001402633790 1162419902 /nfs/dbraw/zinc/41/99/02/1162419902.db2.gz NFRCXJDILZWGAG-GASCZTMLSA-N 0 3 307.825 2.394 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001480195919 1151717789 /nfs/dbraw/zinc/71/77/89/1151717789.db2.gz DRINMTLSENWVAU-KIGUWFBYSA-N 0 3 319.355 2.349 20 30 DEEDHN CS[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480446052 1151810034 /nfs/dbraw/zinc/81/00/34/1151810034.db2.gz IGTDQBJBZGHYAD-MNOVXSKESA-N 0 3 311.476 2.356 20 30 DEEDHN CCN1C[C@H](NC(=O)c2ccc(C=NOC)cc2)C(C)(C)C1 ZINC001472057245 1151859479 /nfs/dbraw/zinc/85/94/79/1151859479.db2.gz PCWIESCHNCWHBB-HNNXBMFYSA-N 0 3 303.406 2.127 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001356736240 1152124631 /nfs/dbraw/zinc/12/46/31/1152124631.db2.gz YEYBWXKMRCWEGI-HRCADAONSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001358927493 1152528547 /nfs/dbraw/zinc/52/85/47/1152528547.db2.gz AMUIECWLZMRFEI-LSDHHAIUSA-N 0 3 315.465 2.488 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001379599629 1152649675 /nfs/dbraw/zinc/64/96/75/1152649675.db2.gz CXINTDGJFLIJLZ-DKSSEZFCSA-N 0 3 322.412 2.331 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)CN(C)C(C)C)C(C)C ZINC001380042468 1152737417 /nfs/dbraw/zinc/73/74/17/1152737417.db2.gz LXGIWFGIUZAORT-UHFFFAOYSA-N 0 3 303.878 2.248 20 30 DEEDHN Cc1cc(CNC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C)sn1 ZINC001380058038 1152741359 /nfs/dbraw/zinc/74/13/59/1152741359.db2.gz DBNOEAVGXFKQBT-ZWNOBZJWSA-N 0 3 308.451 2.232 20 30 DEEDHN C[C@@H](C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC001402862355 1162503219 /nfs/dbraw/zinc/50/32/19/1162503219.db2.gz HNKOAQGNXHEPHK-NWDGAFQWSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ncccc2CC)C1 ZINC001381330570 1153007105 /nfs/dbraw/zinc/00/71/05/1153007105.db2.gz GFIRKCXWPSBJFW-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1cncnc1 ZINC001381471657 1153077756 /nfs/dbraw/zinc/07/77/56/1153077756.db2.gz JAUFIFZAWDAIAI-UHFFFAOYSA-N 0 3 324.856 2.236 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001381946007 1153284186 /nfs/dbraw/zinc/28/41/86/1153284186.db2.gz DFQJQYURJJWXCR-VGDYDELISA-N 0 3 301.228 2.035 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001381972173 1153296955 /nfs/dbraw/zinc/29/69/55/1153296955.db2.gz ZKZVBIGNCJERDR-ZQDZILKHSA-N 0 3 314.857 2.429 20 30 DEEDHN CC[C@@H](C)OCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001382056367 1153336488 /nfs/dbraw/zinc/33/64/88/1153336488.db2.gz OIDSVTMHEQDPPF-QWHCGFSZSA-N 0 3 323.462 2.371 20 30 DEEDHN CC[C@H](C)OCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001382056365 1153336684 /nfs/dbraw/zinc/33/66/84/1153336684.db2.gz OIDSVTMHEQDPPF-OLZOCXBDSA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001402951147 1162567855 /nfs/dbraw/zinc/56/78/55/1162567855.db2.gz PYWLASNNOIUZPO-PESDSKBTSA-N 0 3 314.857 2.429 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cccc(F)c2Cl)C1 ZINC001389840576 1155449580 /nfs/dbraw/zinc/44/95/80/1155449580.db2.gz YKOAGAQCQNLECG-YUSALJHKSA-N 0 3 309.772 2.376 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001389982810 1155490658 /nfs/dbraw/zinc/49/06/58/1155490658.db2.gz ZQTYXUZKGIXYTA-PHIMTYICSA-N 0 3 301.228 2.322 20 30 DEEDHN C[C@H](CNC(=O)C1CCCC1)NCc1ccc(C#N)c(F)c1 ZINC001390283143 1155624076 /nfs/dbraw/zinc/62/40/76/1155624076.db2.gz QNXGHQACPXXVDA-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN CO[C@H](C)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001371059011 1155676134 /nfs/dbraw/zinc/67/61/34/1155676134.db2.gz KNIALBISUSURPV-NVPAJSRCSA-N 0 3 315.417 2.110 20 30 DEEDHN C[C@H](CNC(=O)c1cccnc1)NCc1ccc(F)c(C#N)c1 ZINC001371085744 1155693257 /nfs/dbraw/zinc/69/32/57/1155693257.db2.gz ABUPJFCHVUQCML-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN Cc1nc(C(=O)NCC[C@@H](C)NCc2ccccc2C#N)co1 ZINC001390662717 1155831229 /nfs/dbraw/zinc/83/12/29/1155831229.db2.gz OTBXREFVMMCARZ-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)c1cc[nH]c1 ZINC001392067329 1156861631 /nfs/dbraw/zinc/86/16/31/1156861631.db2.gz SJTIUIDORVEREX-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN CN(C/C=C/Cl)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001373319867 1156973534 /nfs/dbraw/zinc/97/35/34/1156973534.db2.gz YAUXWBLRLZOVOC-GORDUTHDSA-N 0 3 320.824 2.423 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H](C)C(F)(F)F ZINC001392506108 1157081154 /nfs/dbraw/zinc/08/11/54/1157081154.db2.gz QSFWIZYYDRAACO-RKDXNWHRSA-N 0 3 319.352 2.412 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC(C)(F)F ZINC001392599308 1157191534 /nfs/dbraw/zinc/19/15/34/1157191534.db2.gz JUHZLSIREJKQBG-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN CCC(=O)N[C@](C)(CNCc1cc(C#N)ccc1OC)C1CC1 ZINC001373866096 1157420639 /nfs/dbraw/zinc/42/06/39/1157420639.db2.gz PWEUDLQSBLAZLM-GOSISDBHSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Br)CNC[C@@](C)(NC(=O)C1CC1)C1CC1 ZINC001373867032 1157421895 /nfs/dbraw/zinc/42/18/95/1157421895.db2.gz WJJSHWMKVLTMOC-CYBMUJFWSA-N 0 3 301.228 2.180 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1n[nH]c(C)c1C)C1CC1 ZINC001373870710 1157422984 /nfs/dbraw/zinc/42/29/84/1157422984.db2.gz BBCKBSOZTSZZHD-OAHLLOKOSA-N 0 3 310.829 2.267 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@](C)(CNCc1ccncc1Cl)C1CC1 ZINC001373880541 1157430177 /nfs/dbraw/zinc/43/01/77/1157430177.db2.gz YJJNMDYJYZFMQS-ZBEGNZNMSA-N 0 3 320.824 2.269 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cn2cccn2)CCCC[C@H]1C ZINC001373895357 1157442498 /nfs/dbraw/zinc/44/24/98/1157442498.db2.gz JBOXUTXQXJCDER-CZUORRHYSA-N 0 3 324.856 2.290 20 30 DEEDHN Cc1cccc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)n1 ZINC001392888618 1157513927 /nfs/dbraw/zinc/51/39/27/1157513927.db2.gz YQNSSDIZODGUMW-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN CO[C@@H](C)CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001392902465 1157530959 /nfs/dbraw/zinc/53/09/59/1157530959.db2.gz PIZHJGAUQSDXDB-AWEZNQCLSA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cccnc1 ZINC001374191387 1157705112 /nfs/dbraw/zinc/70/51/12/1157705112.db2.gz RMYMJYCWKAKYGI-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cncc1C ZINC001374394215 1157837590 /nfs/dbraw/zinc/83/75/90/1157837590.db2.gz GVUJSKYKIDXYTJ-WFASDCNBSA-N 0 3 324.856 2.161 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001393850569 1158021340 /nfs/dbraw/zinc/02/13/40/1158021340.db2.gz AUPYUTLUYVYWRF-HNNXBMFYSA-N 0 3 314.857 2.478 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374882824 1158073531 /nfs/dbraw/zinc/07/35/31/1158073531.db2.gz HGXBUTFUWUOWIY-NWDGAFQWSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C[C@H]1CCCO1 ZINC001375011474 1158200103 /nfs/dbraw/zinc/20/01/03/1158200103.db2.gz UNCVLKDCZYCBBU-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394058900 1158221759 /nfs/dbraw/zinc/22/17/59/1158221759.db2.gz UVJPDVZAZPJTHQ-CYBMUJFWSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001375032713 1158225141 /nfs/dbraw/zinc/22/51/41/1158225141.db2.gz ROBMSKCYBOZWAC-CQDKDKBSSA-N 0 3 321.371 2.396 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001492826794 1158242318 /nfs/dbraw/zinc/24/23/18/1158242318.db2.gz JCBONPBDKXIYGM-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001394133132 1158326040 /nfs/dbraw/zinc/32/60/40/1158326040.db2.gz JFCCAUCOWWOYTP-LBPRGKRZSA-N 0 3 324.856 2.481 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)Cc1cccc(C#N)c1 ZINC001394142818 1158334131 /nfs/dbraw/zinc/33/41/31/1158334131.db2.gz RUQLAYSCVFLXHC-CQSZACIVSA-N 0 3 310.401 2.066 20 30 DEEDHN Cc1nc(CN[C@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)c(C)o1 ZINC001394175133 1158348358 /nfs/dbraw/zinc/34/83/58/1158348358.db2.gz WRLYJODEQOQSGM-SWLSCSKDSA-N 0 3 320.437 2.414 20 30 DEEDHN C[C@@H](CN(C)C(=O)Cc1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001394560028 1158635104 /nfs/dbraw/zinc/63/51/04/1158635104.db2.gz IEEHBAXXHCLBGU-LBPRGKRZSA-N 0 3 316.430 2.127 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001375484900 1158752150 /nfs/dbraw/zinc/75/21/50/1158752150.db2.gz QSINWRVJUJXTHK-BNOWGMLFSA-N 0 3 318.421 2.251 20 30 DEEDHN C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001403540997 1162980390 /nfs/dbraw/zinc/98/03/90/1162980390.db2.gz RGBGMUARSFUONT-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001376715065 1159717632 /nfs/dbraw/zinc/71/76/32/1159717632.db2.gz PBXDVBWNNFHXMS-NEPJUHHUSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001376879585 1159830920 /nfs/dbraw/zinc/83/09/20/1159830920.db2.gz KWQJEVIHTADRDR-DZGCQCFKSA-N 0 3 303.381 2.456 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001397151210 1160020870 /nfs/dbraw/zinc/02/08/70/1160020870.db2.gz LRQPJXINGQHJOT-JGGQBBKZSA-N 0 3 314.857 2.165 20 30 DEEDHN CCN(CCNC(=O)c1ccsn1)Cc1cccc(C#N)c1 ZINC001377312122 1160193141 /nfs/dbraw/zinc/19/31/41/1160193141.db2.gz WDUJDHXHQCBYCH-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001397629496 1160372339 /nfs/dbraw/zinc/37/23/39/1160372339.db2.gz RECKABBMCPNAEI-TXEJJXNPSA-N 0 3 313.854 2.231 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(CCOC)CCC2)C1 ZINC001397698195 1160406221 /nfs/dbraw/zinc/40/62/21/1160406221.db2.gz OCSNCTGJVBALRX-HDJSIYSDSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1=CCOCC1 ZINC001398223608 1160826233 /nfs/dbraw/zinc/82/62/33/1160826233.db2.gz XLQSBBCMHFFWBJ-UKRRQHHQSA-N 0 3 312.841 2.445 20 30 DEEDHN Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N)sc1C ZINC001377938381 1160876602 /nfs/dbraw/zinc/87/66/02/1160876602.db2.gz BEGZIAHOSUDXND-LLVKDONJSA-N 0 3 322.478 2.494 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001399013325 1161189278 /nfs/dbraw/zinc/18/92/78/1161189278.db2.gz DRFKDIKNVCYBFC-NJZAAPMLSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC001399314618 1161340669 /nfs/dbraw/zinc/34/06/69/1161340669.db2.gz HQPPFMUANWDGFW-KBPBESRZSA-N 0 3 317.437 2.142 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cccc(OC)c1 ZINC001399427536 1161388807 /nfs/dbraw/zinc/38/88/07/1161388807.db2.gz TVQAAHOIFSSGKI-CYBMUJFWSA-N 0 3 310.825 2.475 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cc(NC(C)=O)ccc1C ZINC001492894791 1161780505 /nfs/dbraw/zinc/78/05/05/1161780505.db2.gz KDCIXLCRDUCGFX-UHFFFAOYSA-N 0 3 303.406 2.191 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2nn(C)cc2C)CCCC1 ZINC001401183774 1161888842 /nfs/dbraw/zinc/88/88/42/1161888842.db2.gz XVJZZOSSUMMITL-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccccc1[O-] ZINC001401670126 1162068093 /nfs/dbraw/zinc/06/80/93/1162068093.db2.gz JBSNMDNPYZSLMX-ZDUSSCGKSA-N 0 3 309.369 2.172 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccns1)C1CCCC1 ZINC001402093207 1162244758 /nfs/dbraw/zinc/24/47/58/1162244758.db2.gz MZWXPXXVAXISKM-RISCZKNCSA-N 0 3 306.435 2.067 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)CCn1ccnc1)C1CCCC1 ZINC001402127684 1162256467 /nfs/dbraw/zinc/25/64/67/1162256467.db2.gz ZMBRWFUNTJVYGQ-HNNXBMFYSA-N 0 3 324.856 2.290 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@](C)(CNCc2c(F)cccc2F)C1 ZINC001402169985 1162273181 /nfs/dbraw/zinc/27/31/81/1162273181.db2.gz ZLCYRKRUTPUXFJ-PXAZEXFGSA-N 0 3 321.371 2.453 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001404013475 1163376233 /nfs/dbraw/zinc/37/62/33/1163376233.db2.gz GCGRWNAVDRGKGC-IYXRBSQSSA-N 0 3 323.824 2.180 20 30 DEEDHN C=C(Cl)CN1CCC(CCNC(=O)Cn2cncc2C)CC1 ZINC001405561927 1164150082 /nfs/dbraw/zinc/15/00/82/1164150082.db2.gz IRWQNRIABDRLOA-UHFFFAOYSA-N 0 3 324.856 2.162 20 30 DEEDHN CC[C@H](SC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001406918753 1164883355 /nfs/dbraw/zinc/88/33/55/1164883355.db2.gz MKXPXCOCHUVKNH-HNNXBMFYSA-N 0 3 317.458 2.438 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1ncc[nH]1)C2 ZINC001407537447 1165188004 /nfs/dbraw/zinc/18/80/04/1165188004.db2.gz ULCDCCNYOJYLHP-BTTYYORXSA-N 0 3 322.840 2.064 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001417780238 1167207972 /nfs/dbraw/zinc/20/79/72/1167207972.db2.gz AZDSRJVVDXGGHX-MJVIPROJSA-N 0 3 307.344 2.109 20 30 DEEDHN CO[C@@H](C)C(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001417893288 1167287417 /nfs/dbraw/zinc/28/74/17/1167287417.db2.gz DXRWKVOVWFUWTM-AWEZNQCLSA-N 0 3 315.417 2.016 20 30 DEEDHN Cc1ncc(CN2CCC3(C[C@H]3NC(=O)[C@H](C)C#N)CC2)s1 ZINC001417957124 1167327046 /nfs/dbraw/zinc/32/70/46/1167327046.db2.gz SBXRGQJNZRCINB-BXUZGUMPSA-N 0 3 318.446 2.082 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCn1nc(C)cc1C ZINC001418418997 1167641868 /nfs/dbraw/zinc/64/18/68/1167641868.db2.gz USPYVWZKRCBZPP-GFCCVEGCSA-N 0 3 312.845 2.127 20 30 DEEDHN CCN(CCNC(=O)c1cc(C)on1)Cc1cccc(C#N)c1 ZINC001418533095 1167779464 /nfs/dbraw/zinc/77/94/64/1167779464.db2.gz AQRKFVPATFGHHD-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001419172456 1168288027 /nfs/dbraw/zinc/28/80/27/1168288027.db2.gz YCIAWCAULJESTF-ZIAGYGMSSA-N 0 3 301.862 2.002 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2cnn(C)c2)CCCC1 ZINC001419630888 1168710677 /nfs/dbraw/zinc/71/06/77/1168710677.db2.gz KOOUNDOQNQZDQE-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C[C@H](CNC(=O)c1ccncc1)NCc1ccc(C#N)c(F)c1 ZINC001419694884 1168806270 /nfs/dbraw/zinc/80/62/70/1168806270.db2.gz AJMLYADRFIJOKE-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN Cc1nocc1C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001419720962 1168819900 /nfs/dbraw/zinc/81/99/00/1168819900.db2.gz YZYJGZUHVUQZAC-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cn(C)nc1CC)C(C)C ZINC001419872187 1168884495 /nfs/dbraw/zinc/88/44/95/1168884495.db2.gz BPIOHXCQFGRSCJ-CQSZACIVSA-N 0 3 312.845 2.079 20 30 DEEDHN CCN(CCNC(=O)[C@H]1CC1(F)F)Cc1cccc(C#N)c1 ZINC001420383547 1169442651 /nfs/dbraw/zinc/44/26/51/1169442651.db2.gz YNYPDZGHVHEHQC-CQSZACIVSA-N 0 3 307.344 2.152 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(C)CCC1 ZINC001420461133 1169594402 /nfs/dbraw/zinc/59/44/02/1169594402.db2.gz WFISOBKDNKTDPU-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1ccncc1CN1CCC[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001421282956 1171669117 /nfs/dbraw/zinc/66/91/17/1171669117.db2.gz OZNJCYJTLRZWHD-CRAIPNDOSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1[nH]cnc1CC)C1CC1 ZINC001421595248 1171862563 /nfs/dbraw/zinc/86/25/63/1171862563.db2.gz WVXHVGNGCVKVDS-OAHLLOKOSA-N 0 3 310.829 2.213 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN[C@H](CO)c2cccc(F)c2)c1 ZINC001421642476 1171879344 /nfs/dbraw/zinc/87/93/44/1171879344.db2.gz TZZSEXXZJYIIGC-SJORKVTESA-N 0 3 300.333 2.054 20 30 DEEDHN N#Cc1cccc([C@H](O)CN[C@@H](CO)c2cccc(F)c2)c1 ZINC001421642460 1171879457 /nfs/dbraw/zinc/87/94/57/1171879457.db2.gz TZZSEXXZJYIIGC-DLBZAZTESA-N 0 3 300.333 2.054 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccoc1 ZINC001421865019 1172062516 /nfs/dbraw/zinc/06/25/16/1172062516.db2.gz BXOQFNALWNWWHL-NSHDSACASA-N 0 3 303.387 2.463 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001422106098 1172306597 /nfs/dbraw/zinc/30/65/97/1172306597.db2.gz FLWBYWAGQZFCLQ-UHFFFAOYSA-N 0 3 322.836 2.304 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001422233380 1172418696 /nfs/dbraw/zinc/41/86/96/1172418696.db2.gz RJWQRXUCMQOCAV-OAHLLOKOSA-N 0 3 313.873 2.146 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H](C)NC(=O)CCCF ZINC001422367298 1172521218 /nfs/dbraw/zinc/52/12/18/1172521218.db2.gz JSOJONZTEICRBL-CHWSQXEVSA-N 0 3 321.396 2.299 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](C)N(C)Cc2cccc(C#N)c2)co1 ZINC001422491179 1172643777 /nfs/dbraw/zinc/64/37/77/1172643777.db2.gz IBMABRJMSRNKNH-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@H](CNC(=O)C1(C)CC1)N(C)Cc1ccc(OCC#N)cc1 ZINC001422510886 1172663913 /nfs/dbraw/zinc/66/39/13/1172663913.db2.gz XISADXXARBDVND-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccccn1 ZINC001422615255 1172765535 /nfs/dbraw/zinc/76/55/35/1172765535.db2.gz WFSKJEKYCITHNA-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)n1C ZINC001422621444 1172770534 /nfs/dbraw/zinc/77/05/34/1172770534.db2.gz LGEOVWLPQKRODO-NSHDSACASA-N 0 3 316.430 2.175 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001422899772 1172904272 /nfs/dbraw/zinc/90/42/72/1172904272.db2.gz NRRYWPCQHKMNMJ-KKUMJFAQSA-N 0 3 324.856 2.380 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001423504291 1173377013 /nfs/dbraw/zinc/37/70/13/1173377013.db2.gz JAAYRANKKAXSQO-CQSZACIVSA-N 0 3 310.401 2.189 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001424795379 1173937336 /nfs/dbraw/zinc/93/73/36/1173937336.db2.gz TVESMTVPURIANQ-QWHCGFSZSA-N 0 3 312.845 2.162 20 30 DEEDHN Cc1nc(NC(=O)[C@@H](N)CCCC#N)sc1SCC#N ZINC001579864505 1179023493 /nfs/dbraw/zinc/02/34/93/1179023493.db2.gz VVGXLLJGTATVBG-VIFPVBQESA-N 0 3 309.420 2.027 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)CC2CC2)C2CC2)c(F)c1 ZINC001436778473 1179237573 /nfs/dbraw/zinc/23/75/73/1179237573.db2.gz XDESABOZEBMEQN-QGZVFWFLSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1nccs1 ZINC001437408110 1179792791 /nfs/dbraw/zinc/79/27/91/1179792791.db2.gz HTUXXYKPIJTMSV-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)SC)Cc1cccc(C#N)c1 ZINC001437572100 1179851087 /nfs/dbraw/zinc/85/10/87/1179851087.db2.gz BGLSJDOBZWULOV-ZDUSSCGKSA-N 0 3 305.447 2.248 20 30 DEEDHN COc1cccc(CN2CCC[C@H]2CNC(=O)[C@@H](C)C#N)c1C ZINC001437662392 1179881420 /nfs/dbraw/zinc/88/14/20/1179881420.db2.gz SNHAIURTLVSLIW-BBRMVZONSA-N 0 3 315.417 2.244 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001437714138 1179898650 /nfs/dbraw/zinc/89/86/50/1179898650.db2.gz DGLULHONOFKGDO-SJORKVTESA-N 0 3 317.408 2.490 20 30 DEEDHN CC[C@H](CNC(=O)c1coc(C)n1)NCc1ccc(C#N)s1 ZINC001438291107 1180325016 /nfs/dbraw/zinc/32/50/16/1180325016.db2.gz KVDADNJVGYCTLF-LLVKDONJSA-N 0 3 318.402 2.214 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1CC1(F)F)NCc1ccc(C#N)s1 ZINC001438305860 1180335035 /nfs/dbraw/zinc/33/50/35/1180335035.db2.gz XQZWTAPBBPJMIK-BXKDBHETSA-N 0 3 313.373 2.259 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC(CCNC(C)=O)CC1 ZINC001438445807 1180438096 /nfs/dbraw/zinc/43/80/96/1180438096.db2.gz LGWRHTPNGACNPQ-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](C)N(C)CCc1c(F)cccc1F ZINC001440916931 1181772152 /nfs/dbraw/zinc/77/21/52/1181772152.db2.gz REANVRXFNMZRMP-NEPJUHHUSA-N 0 3 309.360 2.103 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441489594 1182020573 /nfs/dbraw/zinc/02/05/73/1182020573.db2.gz CSPXOLAKROZXIJ-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441507748 1182031303 /nfs/dbraw/zinc/03/13/03/1182031303.db2.gz WKETXIFXQGBTQS-NEPJUHHUSA-N 0 3 323.437 2.385 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441511877 1182033429 /nfs/dbraw/zinc/03/34/29/1182033429.db2.gz MLOZCMDQLPBPJV-BLLLJJGKSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001442323199 1182419802 /nfs/dbraw/zinc/41/98/02/1182419802.db2.gz SOMYQPGIJKPKJV-SECBINFHSA-N 0 3 320.771 2.208 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CCNC(=O)C3CC3)C2)cc1F ZINC001443201892 1182879613 /nfs/dbraw/zinc/87/96/13/1182879613.db2.gz GABZZQZKNIXNTG-ZDUSSCGKSA-N 0 3 315.392 2.436 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001443309133 1182917763 /nfs/dbraw/zinc/91/77/63/1182917763.db2.gz CJXLZEWFHGIOPK-GXTWGEPZSA-N 0 3 306.385 2.028 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccnnc2C)CCCC1 ZINC001444527565 1183432446 /nfs/dbraw/zinc/43/24/46/1183432446.db2.gz ZXFKGHUHBMCNDI-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@@H]2C(C)C)CCOCC1 ZINC001447498973 1184790891 /nfs/dbraw/zinc/79/08/91/1184790891.db2.gz ORQFWLOHVLSFQM-KGLIPLIRSA-N 0 3 314.857 2.286 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001447818490 1184882482 /nfs/dbraw/zinc/88/24/82/1184882482.db2.gz HXNCJBASKKYNAT-IYXRBSQSSA-N 0 3 323.824 2.086 20 30 DEEDHN C=C(Br)CNC[C@H](NC(=O)COCC)C(C)(C)C ZINC001449289066 1185624703 /nfs/dbraw/zinc/62/47/03/1185624703.db2.gz HESSKRSNGGFHKX-NSHDSACASA-N 0 3 321.259 2.052 20 30 DEEDHN Cc1ncc(CNC[C@H]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001332261023 1149841415 /nfs/dbraw/zinc/84/14/15/1149841415.db2.gz LUAYHPASVXRJEN-LSDHHAIUSA-N 0 3 317.433 2.407 20 30 DEEDHN CCN(CC)CC(=O)NCC[C@H](C)Nc1cccc(F)c1C#N ZINC001099197634 782509282 /nfs/dbraw/zinc/50/92/82/782509282.db2.gz USXWQOPBASSWIZ-ZDUSSCGKSA-N 0 3 320.412 2.346 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C[C@@H](N[C@H](C)CC)c2ccco2)C1=O ZINC001332394212 1149856580 /nfs/dbraw/zinc/85/65/80/1149856580.db2.gz SMZCILLSVJDYGK-FRRDWIJNSA-N 0 3 305.378 2.205 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncnc2C)CC(C)(C)C1 ZINC001089324382 782639466 /nfs/dbraw/zinc/63/94/66/782639466.db2.gz LLEZFVGRPKIPBV-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN CCCN(C)CC(=O)N[C@@H](C)CCNc1cccc(F)c1C#N ZINC001106407898 782691756 /nfs/dbraw/zinc/69/17/56/782691756.db2.gz VTRONTCOWXBCBR-ZDUSSCGKSA-N 0 3 320.412 2.346 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](CNCc2cnc(C)o2)[C@H](C)C1 ZINC001106559188 782784342 /nfs/dbraw/zinc/78/43/42/782784342.db2.gz IOLOACHVNWOHLU-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCCOC)C[C@H](C)O2 ZINC001111537250 783025610 /nfs/dbraw/zinc/02/56/10/783025610.db2.gz TZNGIAFTUMUCPJ-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)n2cccc2)CC(C)(C)C1 ZINC001089362355 783030578 /nfs/dbraw/zinc/03/05/78/783030578.db2.gz FLKSUUHGMKOADN-JKSUJKDBSA-N 0 3 301.434 2.289 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnn2C(C)C)CC(C)(C)C1 ZINC001089395873 783065790 /nfs/dbraw/zinc/06/57/90/783065790.db2.gz BELQLBQDVDOYGM-OAHLLOKOSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(F)cncc2F)CC(C)(C)C1 ZINC001089398608 783067492 /nfs/dbraw/zinc/06/74/92/783067492.db2.gz IZFRPYOOIVFAHN-GFCCVEGCSA-N 0 3 321.371 2.213 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OCC)nc2)C[C@@H]1C ZINC000947365302 783118431 /nfs/dbraw/zinc/11/84/31/783118431.db2.gz LMDSHIPGASYLAV-HOCLYGCPSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2scnc2CC)C[C@@H]1C ZINC000947373820 783120398 /nfs/dbraw/zinc/12/03/98/783120398.db2.gz IDEYVDYMUHMNGJ-QWHCGFSZSA-N 0 3 305.447 2.312 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(F)F)C[C@@H]1C ZINC000947398809 783126522 /nfs/dbraw/zinc/12/65/22/783126522.db2.gz AJSSBUSRAAZDAD-QWRGUYRKSA-N 0 3 312.364 2.126 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C[C@H]1C ZINC000947441461 783137291 /nfs/dbraw/zinc/13/72/91/783137291.db2.gz IZBFSQZJKZKPET-HZPDHXFCSA-N 0 3 313.445 2.270 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)sc2C)C[C@H]1C ZINC000947442815 783138270 /nfs/dbraw/zinc/13/82/70/783138270.db2.gz ZLXWWCPQJNGPKA-BXUZGUMPSA-N 0 3 305.447 2.366 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C[C@H]1C ZINC000947464237 783142537 /nfs/dbraw/zinc/14/25/37/783142537.db2.gz TWDVPBYAWVUWJN-ZIAGYGMSSA-N 0 3 302.422 2.116 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2conc2CC)CC(C)(C)C1 ZINC001089485182 783151145 /nfs/dbraw/zinc/15/11/45/783151145.db2.gz IWNBMSFMVHKQOV-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccnc2C)CC(C)(C)C1 ZINC001089491974 783157182 /nfs/dbraw/zinc/15/71/82/783157182.db2.gz ZDJHZCFMOHVURQ-QGZVFWFLSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnn3ccccc23)CC(C)(C)C1 ZINC001089518779 783179094 /nfs/dbraw/zinc/17/90/94/783179094.db2.gz GMHZUNONRGWVLA-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)CC(C)(C)C1 ZINC001089527935 783183127 /nfs/dbraw/zinc/18/31/27/783183127.db2.gz XGIQNZKAROSBCL-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2oncc2C)CC(C)(C)C1 ZINC001089534156 783191704 /nfs/dbraw/zinc/19/17/04/783191704.db2.gz PSHPSIBCQCQVEL-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC000947647844 783197877 /nfs/dbraw/zinc/19/78/77/783197877.db2.gz DZFIIUSSIKWNPM-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC000947647844 783197882 /nfs/dbraw/zinc/19/78/82/783197882.db2.gz DZFIIUSSIKWNPM-TZMCWYRMSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c(C)noc2C)CC(C)(C)C1 ZINC001089554779 783201926 /nfs/dbraw/zinc/20/19/26/783201926.db2.gz ZOJVTVXXSKNSGE-OAHLLOKOSA-N 0 3 317.433 2.074 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2C)C[C@H]1C ZINC000947670465 783202297 /nfs/dbraw/zinc/20/22/97/783202297.db2.gz FSSAKSDAZLDQHJ-CABCVRRESA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CN(CC)CC)CC1 ZINC001060737576 783209743 /nfs/dbraw/zinc/20/97/43/783209743.db2.gz XSJOBGWHHCXVNU-WKILWMFISA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ocnc2C2CC2)C[C@@H]1C ZINC000947722250 783212306 /nfs/dbraw/zinc/21/23/06/783212306.db2.gz HENSLMHIPOUDDU-JSGCOSHPSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2-n2cccn2)C[C@@H]1C ZINC000947749077 783222007 /nfs/dbraw/zinc/22/20/07/783222007.db2.gz BRPZPOBYFKMTLG-JKSUJKDBSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cc(F)c(F)cc3F)C2)C1 ZINC001073015041 790387551 /nfs/dbraw/zinc/38/75/51/790387551.db2.gz LXTHFRJYQYNRKC-UHFFFAOYSA-N 0 3 324.346 2.367 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)c3ccc(C)o3)C2)C1 ZINC001073040143 790410498 /nfs/dbraw/zinc/41/04/98/790410498.db2.gz VKSWEWHNFXSOGU-OAHLLOKOSA-N 0 3 300.402 2.249 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C)c2Cl)[C@@H](O)C1 ZINC001090649301 790419929 /nfs/dbraw/zinc/41/99/29/790419929.db2.gz DFDWLNLFXDLBFU-CABCVRRESA-N 0 3 322.836 2.390 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCO[C@H](CCC)C3)C2)C1 ZINC001073083915 790442566 /nfs/dbraw/zinc/44/25/66/790442566.db2.gz NKHWRDPODNTDON-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN CC[C@H](F)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209016985 776643939 /nfs/dbraw/zinc/64/39/39/776643939.db2.gz JEJGMSGAGBKOPY-SJORKVTESA-N 0 3 302.393 2.367 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCN[C@H](C)c1nncn1C ZINC001171043746 790475360 /nfs/dbraw/zinc/47/53/60/790475360.db2.gz PMLONANMNDJNDE-LSDHHAIUSA-N 0 3 321.469 2.497 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1c1ccccc1 ZINC001211515405 777116272 /nfs/dbraw/zinc/11/62/72/777116272.db2.gz SOJXUDPHGHDQTO-LSDHHAIUSA-N 0 3 306.356 2.249 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccoc1C)C[C@H](C)O2 ZINC001098562671 777296895 /nfs/dbraw/zinc/29/68/95/777296895.db2.gz ONVQQDCJQMGASJ-AWEZNQCLSA-N 0 3 318.417 2.470 20 30 DEEDHN COC(=O)[C@H](CS)Nc1ccc(CN2CCCC[C@H]2C)cn1 ZINC001167622597 777400692 /nfs/dbraw/zinc/40/06/92/777400692.db2.gz WPOLMOXUIMUIKT-OCCSQVGLSA-N 0 3 323.462 2.339 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](OC)C1 ZINC001213678615 777452142 /nfs/dbraw/zinc/45/21/42/777452142.db2.gz GMZTVFNYUNZCHF-VXGBXAGGSA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCC(C)C)C2 ZINC001111491376 777457695 /nfs/dbraw/zinc/45/76/95/777457695.db2.gz YSFDUVPORXDBIQ-HZMVEIRTSA-N 0 3 306.450 2.182 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2cccnc2OC)C1 ZINC001100623472 777485904 /nfs/dbraw/zinc/48/59/04/777485904.db2.gz PVTIIKPVVINMDR-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)Cc3ccco3)C(C)(C)[C@H]21 ZINC001087309632 777766519 /nfs/dbraw/zinc/76/65/19/777766519.db2.gz JVSDESBJNBTYCY-PVAVHDDUSA-N 0 3 300.402 2.061 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2sccc2CC)[C@H](O)C1 ZINC001090829700 790578417 /nfs/dbraw/zinc/57/84/17/790578417.db2.gz DWKKGHUDFIOMET-UONOGXRCSA-N 0 3 308.447 2.052 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnns2)C1 ZINC001104607149 777962753 /nfs/dbraw/zinc/96/27/53/777962753.db2.gz MLUZBGFLJFRHEW-ZIAGYGMSSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001090839866 790587357 /nfs/dbraw/zinc/58/73/57/790587357.db2.gz SJWRGBXAZDLEET-HOTGVXAUSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1C(F)(F)F ZINC001112041906 778134981 /nfs/dbraw/zinc/13/49/81/778134981.db2.gz COWFEVVCMUYAKI-CHWSQXEVSA-N 0 3 314.307 2.204 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C(C)C)[nH]c1=O ZINC001167727943 778163284 /nfs/dbraw/zinc/16/32/84/778163284.db2.gz WJKDHOFCMINXGS-UHFFFAOYSA-N 0 3 311.813 2.373 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1C ZINC001104972167 778282610 /nfs/dbraw/zinc/28/26/10/778282610.db2.gz NMYJNBYETODAAB-BXUZGUMPSA-N 0 3 323.824 2.228 20 30 DEEDHN CCCCCCCNCc1cn(C2CN(C(=O)C3CC3)C2)nn1 ZINC001105129406 778359131 /nfs/dbraw/zinc/35/91/31/778359131.db2.gz SRWLIXTUXGLDKE-UHFFFAOYSA-N 0 3 319.453 2.131 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC(n2cc(CNC[C@@H](C)CC)nn2)C1 ZINC001105297190 778430102 /nfs/dbraw/zinc/43/01/02/778430102.db2.gz JLJYEMSNDPULQA-ZDUSSCGKSA-N 0 3 319.453 2.009 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090867795 790625401 /nfs/dbraw/zinc/62/54/01/790625401.db2.gz YYEDNSPVOXBVER-RBUKOAKNSA-N 0 3 324.424 2.179 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)(F)F)C[C@@H](C)O2 ZINC001098634355 778673068 /nfs/dbraw/zinc/67/30/68/778673068.db2.gz RKRCSEHTEDBVOC-CYBMUJFWSA-N 0 3 316.392 2.300 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001075616219 778750556 /nfs/dbraw/zinc/75/05/56/778750556.db2.gz MOLNOVVYKOZJIH-RPVQJOFSSA-N 0 3 322.412 2.360 20 30 DEEDHN C#CCCCC(=O)NCCNCc1ccccc1OC1CC1 ZINC001126339118 778760205 /nfs/dbraw/zinc/76/02/05/778760205.db2.gz QSAFSCBWGJCREU-UHFFFAOYSA-N 0 3 300.402 2.237 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](F)Cc3ccccc3)C2)C1 ZINC001073452784 790664423 /nfs/dbraw/zinc/66/44/23/790664423.db2.gz SHROKIGNCSURSH-QGZVFWFLSA-N 0 3 314.404 2.125 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H](OC)C1 ZINC001211841832 779051165 /nfs/dbraw/zinc/05/11/65/779051165.db2.gz GXJMDLYDVGNTIO-ZIAGYGMSSA-N 0 3 311.813 2.063 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3csc(C4CC4)n3)C2)C1 ZINC001073481871 790682694 /nfs/dbraw/zinc/68/26/94/790682694.db2.gz JZSVIWVUHFJZKU-UHFFFAOYSA-N 0 3 303.431 2.354 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)O)CCCC1 ZINC001111523369 779241578 /nfs/dbraw/zinc/24/15/78/779241578.db2.gz WYVKUSVPGFDWOO-FPCVCCKLSA-N 0 3 306.450 2.225 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C)OCC)CC1 ZINC001105389292 779258681 /nfs/dbraw/zinc/25/86/81/779258681.db2.gz MWXAFUSGMUVGKD-RDJZCZTQSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](OC)C3CCCCC3)C2)C1 ZINC001073501352 790697977 /nfs/dbraw/zinc/69/79/77/790697977.db2.gz GPZZKCPTSKKICD-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C3CCC3)c2)[C@H]1CC ZINC001087570769 779356591 /nfs/dbraw/zinc/35/65/91/779356591.db2.gz KXJCKDYPGGLWJW-JKSUJKDBSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H]1CC ZINC001087637264 779389234 /nfs/dbraw/zinc/38/92/34/779389234.db2.gz HNAWVRGOUBIQJT-GXTWGEPZSA-N 0 3 304.438 2.476 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]1CC ZINC001087736786 779427925 /nfs/dbraw/zinc/42/79/25/779427925.db2.gz JUVAIJGMKJUGMI-JKSUJKDBSA-N 0 3 300.402 2.390 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccncc3CC)C[C@@H]2C1 ZINC001088019862 779638928 /nfs/dbraw/zinc/63/89/28/779638928.db2.gz KBQDPZFDUPJKDX-SJORKVTESA-N 0 3 311.429 2.061 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cn3ccc4ccccc43)C[C@@H]2C1 ZINC001088205347 779774437 /nfs/dbraw/zinc/77/44/37/779774437.db2.gz QFJCXROUVITZPR-MSOLQXFVSA-N 0 3 321.424 2.055 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC001088236100 779792571 /nfs/dbraw/zinc/79/25/71/779792571.db2.gz LEJWWPJYOJOSCF-DJIMGWMZSA-N 0 3 306.450 2.158 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCCCN(C(C)=O)C1 ZINC001088240560 779804483 /nfs/dbraw/zinc/80/44/83/779804483.db2.gz CAKNCEWUVMDSGZ-QGZVFWFLSA-N 0 3 315.417 2.448 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cn2cc(C)cn2)C1 ZINC001088274995 779896216 /nfs/dbraw/zinc/89/62/16/779896216.db2.gz KWCHXHUQNMMWNJ-HNNXBMFYSA-N 0 3 324.856 2.305 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2ccon2)C1 ZINC001088280672 779902170 /nfs/dbraw/zinc/90/21/70/779902170.db2.gz XEGPHCNXOVZJNM-CQSZACIVSA-N 0 3 311.813 2.330 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cncn2C)C1 ZINC001088342135 779995887 /nfs/dbraw/zinc/99/58/87/779995887.db2.gz BNJQXDPONSWIKC-CYBMUJFWSA-N 0 3 310.829 2.147 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCc2ccnn2C)C1 ZINC001088360394 780027623 /nfs/dbraw/zinc/02/76/23/780027623.db2.gz XWEKGKTZIIONFS-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nc(C)cs1 ZINC001168101362 780042028 /nfs/dbraw/zinc/04/20/28/780042028.db2.gz RSVGOSYDYZBDQB-ZFWWWQNUSA-N 0 3 323.462 2.029 20 30 DEEDHN C[C@@H](C(=O)N1CCCCC[C@@H](NCC#N)C1)N1CCCCCC1 ZINC001088393367 780066345 /nfs/dbraw/zinc/06/63/45/780066345.db2.gz CFELDVJXOZPUIS-DLBZAZTESA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccncn2)C1 ZINC001088399332 780072529 /nfs/dbraw/zinc/07/25/29/780072529.db2.gz IQQUZFJOAFOPIW-ZDUSSCGKSA-N 0 3 308.813 2.204 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(=C)C)CCCO1 ZINC001073637308 790760453 /nfs/dbraw/zinc/76/04/53/790760453.db2.gz VVJVEKLKYGNIHS-MRXNPFEDSA-N 0 3 317.433 2.071 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2cncn2C)C1 ZINC001088413414 780087872 /nfs/dbraw/zinc/08/78/72/780087872.db2.gz FWLFBIBJVYIMDH-CQSZACIVSA-N 0 3 324.856 2.076 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(C)cc(C)n2)C1 ZINC001073670896 790781292 /nfs/dbraw/zinc/78/12/92/790781292.db2.gz QYCFEFFKZUULBP-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cncnc2CC)CC1 ZINC001168185274 780407958 /nfs/dbraw/zinc/40/79/58/780407958.db2.gz ALRRQTUOOCPYGW-UHFFFAOYSA-N 0 3 322.840 2.281 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001073707810 790804855 /nfs/dbraw/zinc/80/48/55/790804855.db2.gz BCWRKJPICCIAPB-XMTFNYHQSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1OC ZINC001212022349 780590684 /nfs/dbraw/zinc/59/06/84/780590684.db2.gz MSDWXXPMJFUTEJ-BFHYXJOUSA-N 0 3 316.392 2.203 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@H]1C ZINC001088639339 780671798 /nfs/dbraw/zinc/67/17/98/780671798.db2.gz RIMQELVOFHJAJX-WBMJQRKESA-N 0 3 306.356 2.489 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001073741723 790833800 /nfs/dbraw/zinc/83/38/00/790833800.db2.gz WOHPIHNYYXKMNW-MRXNPFEDSA-N 0 3 319.449 2.213 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc4c3O[C@@H](C)C4)[C@@H]2C1 ZINC001076056521 781100494 /nfs/dbraw/zinc/10/04/94/781100494.db2.gz YDPOCBUENHZTLF-QILLFSRXSA-N 0 3 324.424 2.180 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cn3cnc4ccc(C)cc43)[C@@H]2C1 ZINC001076170095 781150273 /nfs/dbraw/zinc/15/02/73/781150273.db2.gz QAORQTYTLDZHNC-MAUKXSAKSA-N 0 3 324.428 2.063 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(F)c(F)c(F)c3)[C@@H]2C1 ZINC001076275994 781196135 /nfs/dbraw/zinc/19/61/35/781196135.db2.gz PWRCPOJVAWVNEK-XHDPSFHLSA-N 0 3 322.330 2.274 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(CCC)c3C)[C@@H]2C1 ZINC001076398840 781249514 /nfs/dbraw/zinc/24/95/14/781249514.db2.gz IVKGVPFFWWKOPE-DOTOQJQBSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001076424737 781260168 /nfs/dbraw/zinc/26/01/68/781260168.db2.gz KWBRXMFNAXKQTP-RLFYNMQTSA-N 0 3 324.428 2.316 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4nc(C)[nH]c43)[C@@H]2C1 ZINC001076430647 781263021 /nfs/dbraw/zinc/26/30/21/781263021.db2.gz WJFUGWLRYZBETC-XJKSGUPXSA-N 0 3 310.401 2.204 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCCC4)[C@@H]2C1 ZINC001076438881 781266561 /nfs/dbraw/zinc/26/65/61/781266561.db2.gz SEKYKJLTQXBJRX-MAUKXSAKSA-N 0 3 311.429 2.063 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(C)c(CC)o3)[C@@H]2C1 ZINC001076454180 781270410 /nfs/dbraw/zinc/27/04/10/781270410.db2.gz QXXFMSPACXIIAL-LSDHHAIUSA-N 0 3 300.402 2.320 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC4(C3)CCOCC4)[C@@H]2C1 ZINC001076460060 781274493 /nfs/dbraw/zinc/27/44/93/781274493.db2.gz UKCWMZUWLOWABD-DOTOQJQBSA-N 0 3 318.461 2.302 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncccc2OCCC)[C@H]1C ZINC001088836035 781376329 /nfs/dbraw/zinc/37/63/29/781376329.db2.gz AUEYOLAUAGHQMR-CABCVRRESA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001091072687 790891851 /nfs/dbraw/zinc/89/18/51/790891851.db2.gz MZJLZBUTECYWOS-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H]1c2ccccc2CNC1=O ZINC001171189155 790919789 /nfs/dbraw/zinc/91/97/89/790919789.db2.gz BVARNWGNUHKCII-ACJLOTCBSA-N 0 3 305.381 2.450 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001073866392 790924711 /nfs/dbraw/zinc/92/47/11/790924711.db2.gz YUWNEVLTAJVAEH-BZSNNMDCSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2snnc2C(C)C)C[C@H]1C ZINC000947841156 783244129 /nfs/dbraw/zinc/24/41/29/783244129.db2.gz IVFFUMTYTTZASR-VXGBXAGGSA-N 0 3 308.451 2.430 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1C ZINC000947857108 783249041 /nfs/dbraw/zinc/24/90/41/783249041.db2.gz GNIPZHKZHANFGA-CJNGLKHVSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@H]1C ZINC000947886047 783257286 /nfs/dbraw/zinc/25/72/86/783257286.db2.gz FUTGDRPMFMQPNC-PBHICJAKSA-N 0 3 322.412 2.293 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2OC)C[C@@H]1C ZINC000947971459 783280856 /nfs/dbraw/zinc/28/08/56/783280856.db2.gz NCWVKPXOAFAJHY-KBPBESRZSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630458 783297638 /nfs/dbraw/zinc/29/76/38/783297638.db2.gz KCKAQVRGGRPTNP-HNNXBMFYSA-N 0 3 312.417 2.130 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncnc2C(C)C)C[C@@H]1C ZINC000948048661 783302861 /nfs/dbraw/zinc/30/28/61/783302861.db2.gz SSDPUGDTVCQQLG-KBPBESRZSA-N 0 3 302.422 2.369 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001089634165 783303785 /nfs/dbraw/zinc/30/37/85/783303785.db2.gz RARPHRGFMUNSQR-PCKAHOCUSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cocn2)C1 ZINC001089776519 783422431 /nfs/dbraw/zinc/42/24/31/783422431.db2.gz FSFXFHMSTHZWHB-ABHRYQDASA-N 0 3 321.808 2.210 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccn(C(F)F)n2)CC1 ZINC000948404888 783455891 /nfs/dbraw/zinc/45/58/91/783455891.db2.gz MMKYHBDGFLWPQC-CYBMUJFWSA-N 0 3 324.375 2.228 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnc3cc(C)ccn32)CC1 ZINC000948404281 783456310 /nfs/dbraw/zinc/45/63/10/783456310.db2.gz GHJHMZZNSISAAW-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000948456479 783473925 /nfs/dbraw/zinc/47/39/25/783473925.db2.gz LKHZSCSYQJJALT-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000948542095 783495521 /nfs/dbraw/zinc/49/55/21/783495521.db2.gz MLPQRNAUEXXKRZ-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN COCC(=O)N1CCCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001073915142 790954087 /nfs/dbraw/zinc/95/40/87/790954087.db2.gz QMPLIIXSUPKIAE-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C#Cc1ccc(CN2CC[C@@H](Oc3nccc(OC)n3)C2)cc1 ZINC001144581676 790954682 /nfs/dbraw/zinc/95/46/82/790954682.db2.gz XWBPLDUYPKATMK-MRXNPFEDSA-N 0 3 309.369 2.120 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC001099974490 783668998 /nfs/dbraw/zinc/66/89/98/783668998.db2.gz RMZNMEKULBMUSR-HOTGVXAUSA-N 0 3 322.474 2.198 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cnc1C ZINC001085406138 783669658 /nfs/dbraw/zinc/66/96/58/783669658.db2.gz QUQMOUVMEALLCW-CHWSQXEVSA-N 0 3 310.829 2.030 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC000966876084 783789449 /nfs/dbraw/zinc/78/94/49/783789449.db2.gz UXBBZCGYUJCHCA-CZUORRHYSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC000966880005 783792604 /nfs/dbraw/zinc/79/26/04/783792604.db2.gz SMMOSLJNRVXDDN-CRAIPNDOSA-N 0 3 313.445 2.498 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001066281160 783859345 /nfs/dbraw/zinc/85/93/45/783859345.db2.gz UCTQKNODPNTGPY-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncnc2ccsc21 ZINC001085634113 783910800 /nfs/dbraw/zinc/91/08/00/783910800.db2.gz IPKUZVVUZJEIEK-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC000967273252 783922241 /nfs/dbraw/zinc/92/22/41/783922241.db2.gz KHJPODIQUOPCIC-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001085669684 783943474 /nfs/dbraw/zinc/94/34/74/783943474.db2.gz FLBIDDCHGZRLPX-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001085671151 783951827 /nfs/dbraw/zinc/95/18/27/783951827.db2.gz PQGFUTONSWLQRE-LSDHHAIUSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncn2ccc(C)cc12 ZINC001085683881 783973315 /nfs/dbraw/zinc/97/33/15/783973315.db2.gz CLARVRQVELXSGZ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108204945 783987675 /nfs/dbraw/zinc/98/76/75/783987675.db2.gz COZZRQDYLRCQPC-GDBMZVCRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC000967414806 783989588 /nfs/dbraw/zinc/98/95/88/783989588.db2.gz NHYGXASJVVOQBW-RDJZCZTQSA-N 0 3 318.465 2.409 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)nc1C ZINC001085712359 783993532 /nfs/dbraw/zinc/99/35/32/783993532.db2.gz IMGGOCNOMUGVDL-HNNXBMFYSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001085710908 783997104 /nfs/dbraw/zinc/99/71/04/783997104.db2.gz VMPLJMGLUDNZCP-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001085743116 784024273 /nfs/dbraw/zinc/02/42/73/784024273.db2.gz GIAYZSURLXSQHS-OAHLLOKOSA-N 0 3 318.417 2.465 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967652280 784081853 /nfs/dbraw/zinc/08/18/53/784081853.db2.gz AZFWQFKOIKPDLX-SUMWQHHRSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085851886 784137653 /nfs/dbraw/zinc/13/76/53/784137653.db2.gz JDDOWZSLLASIMY-HNNXBMFYSA-N 0 3 314.433 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085849608 784140786 /nfs/dbraw/zinc/14/07/86/784140786.db2.gz BLPUDYBGQXTYBA-INIZCTEOSA-N 0 3 304.438 2.406 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@@H]2CCN2CC2CC2)cc1 ZINC001085857904 784145757 /nfs/dbraw/zinc/14/57/57/784145757.db2.gz KRQMARMSGGPSBU-KRWDZBQOSA-N 0 3 312.413 2.255 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001085861538 784152076 /nfs/dbraw/zinc/15/20/76/784152076.db2.gz AHKQNDCNXBMAJT-INIZCTEOSA-N 0 3 317.433 2.462 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000967944963 784183024 /nfs/dbraw/zinc/18/30/24/784183024.db2.gz UBGLDMQPZUCKSY-CMPLNLGQSA-N 0 3 309.772 2.329 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001085902150 784193062 /nfs/dbraw/zinc/19/30/62/784193062.db2.gz VSUSHUPEWZLIEM-ZIAGYGMSSA-N 0 3 316.449 2.257 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001085942055 784236487 /nfs/dbraw/zinc/23/64/87/784236487.db2.gz XDMFRMOURBZUQJ-QGZVFWFLSA-N 0 3 315.417 2.367 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncc2n1CCCC2 ZINC001085980879 784280020 /nfs/dbraw/zinc/28/00/20/784280020.db2.gz ZREBRJPHZQDIDH-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCN1CC ZINC001085986695 784285299 /nfs/dbraw/zinc/28/52/99/784285299.db2.gz KYWVUWAJXDITMP-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC000968331063 784294961 /nfs/dbraw/zinc/29/49/61/784294961.db2.gz JODFOENPERRBQE-PBHICJAKSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CN(CC)CC[C@H]2C)cc1 ZINC000968390065 784350092 /nfs/dbraw/zinc/35/00/92/784350092.db2.gz FBQKJXLOWBKXLL-RHSMWYFYSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC000968400988 784359425 /nfs/dbraw/zinc/35/94/25/784359425.db2.gz VZYOVWCWQICIQQ-GDBMZVCRSA-N 0 3 312.417 2.351 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000968410155 784367699 /nfs/dbraw/zinc/36/76/99/784367699.db2.gz CDMDHKVYVZHMOQ-HUUCEWRRSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC001066381715 784392720 /nfs/dbraw/zinc/39/27/20/784392720.db2.gz YBZRWSCHCAXPGN-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC001086128691 784424960 /nfs/dbraw/zinc/42/49/60/784424960.db2.gz IYOAGXUSPSNXJF-YIYPIFLZSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000968543730 784456848 /nfs/dbraw/zinc/45/68/48/784456848.db2.gz FJKUUHLKGMOPKS-AAEUAGOBSA-N 0 3 324.856 2.266 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC000968582691 784477477 /nfs/dbraw/zinc/47/74/77/784477477.db2.gz BOUNMEIBCFCGRF-MAUKXSAKSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccnc(OCC)c2)C1 ZINC001086193648 784479268 /nfs/dbraw/zinc/47/92/68/784479268.db2.gz LCRPERWRDFLLNJ-XBXGTLAGSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001086202507 784485702 /nfs/dbraw/zinc/48/57/02/784485702.db2.gz CFRFFQNMPYOPQP-FVCCEPFGSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001086283246 784541725 /nfs/dbraw/zinc/54/17/25/784541725.db2.gz QDIVIEGEXJMNDH-XGUBFFRZSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C)C1 ZINC001086295373 784554003 /nfs/dbraw/zinc/55/40/03/784554003.db2.gz MNWVLHKNMGBWQT-HKWIRBFKSA-N 0 3 301.228 2.035 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC000968861674 784624690 /nfs/dbraw/zinc/62/46/90/784624690.db2.gz QJPWXETUSVQDHT-HNNXBMFYSA-N 0 3 317.437 2.164 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC000968876625 784631784 /nfs/dbraw/zinc/63/17/84/784631784.db2.gz IGRNCMYCDLRXSC-OAHLLOKOSA-N 0 3 304.438 2.454 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1onc(C)c1C ZINC000968906940 784645199 /nfs/dbraw/zinc/64/51/99/784645199.db2.gz MEIUQILWXHSMKD-OAHLLOKOSA-N 0 3 303.406 2.289 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC000968922637 784651868 /nfs/dbraw/zinc/65/18/68/784651868.db2.gz DOXKTALOFISOIR-HNNXBMFYSA-N 0 3 308.401 2.013 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC000968936856 784659647 /nfs/dbraw/zinc/65/96/47/784659647.db2.gz SHZKVVOLJMFAOR-QGZVFWFLSA-N 0 3 324.428 2.332 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC000968948685 784665910 /nfs/dbraw/zinc/66/59/10/784665910.db2.gz CWNRZXUDBWQJPS-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001007429721 784916412 /nfs/dbraw/zinc/91/64/12/784916412.db2.gz VQGWTOICLZZMKP-LBPRGKRZSA-N 0 3 312.364 2.357 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001007626176 784964847 /nfs/dbraw/zinc/96/48/47/784964847.db2.gz XPPGNGVISIFWTQ-LSDHHAIUSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2COC)C1 ZINC001007775194 785000058 /nfs/dbraw/zinc/00/00/58/785000058.db2.gz KZDURMGMHHMCOM-MRXNPFEDSA-N 0 3 300.402 2.051 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccn3ccnc23)C1 ZINC001091281256 791075451 /nfs/dbraw/zinc/07/54/51/791075451.db2.gz BTQRTASNGQEHCM-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2nc(C)c(C)nc2C)C1 ZINC001007877302 785034038 /nfs/dbraw/zinc/03/40/38/785034038.db2.gz SDSWBUZCRNJAER-OAHLLOKOSA-N 0 3 302.422 2.172 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001091319354 791087900 /nfs/dbraw/zinc/08/79/00/791087900.db2.gz NRCXGLXFHYTWKT-UHFFFAOYSA-N 0 3 307.825 2.354 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001008383323 785187540 /nfs/dbraw/zinc/18/75/40/785187540.db2.gz GHHPIODXUCEVBO-QGZVFWFLSA-N 0 3 307.397 2.452 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129333172 785219445 /nfs/dbraw/zinc/21/94/45/785219445.db2.gz KZTCPKKLCKTMGI-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001074165817 791092576 /nfs/dbraw/zinc/09/25/76/791092576.db2.gz WXXPOEWPCICBBA-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001074168744 791094465 /nfs/dbraw/zinc/09/44/65/791094465.db2.gz PKMKLLXTZZBYOI-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(=O)N1CC[C@@H](N2CCC[C@@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001169563491 785244151 /nfs/dbraw/zinc/24/41/51/785244151.db2.gz OQDRRMPXVJJUNI-SJLPKXTDSA-N 0 3 313.401 2.022 20 30 DEEDHN N#Cc1ccc(N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001169591898 785252118 /nfs/dbraw/zinc/25/21/18/785252118.db2.gz CFYRCPAGKGAYBQ-UHFFFAOYSA-N 0 3 309.329 2.404 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001008727929 785288161 /nfs/dbraw/zinc/28/81/61/785288161.db2.gz NYYQCTKSMQWFFL-HNNXBMFYSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001091326325 791098708 /nfs/dbraw/zinc/09/87/08/791098708.db2.gz HTNMAAMTAUOWKV-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001008774893 785300764 /nfs/dbraw/zinc/30/07/64/785300764.db2.gz DVGDDYPINFWTQM-GFCCVEGCSA-N 0 3 308.813 2.209 20 30 DEEDHN Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H](C)C#N)cs1 ZINC001169830463 785374012 /nfs/dbraw/zinc/37/40/12/785374012.db2.gz AFBFFABPDIMWBO-NWDGAFQWSA-N 0 3 308.451 2.376 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001009219321 785412000 /nfs/dbraw/zinc/41/20/00/785412000.db2.gz IKLUTPVHQAGKSM-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC[C@@H](C)F)C2)nc1 ZINC001009271917 785420689 /nfs/dbraw/zinc/42/06/89/785420689.db2.gz WGETWZVATVGVEI-UKRRQHHQSA-N 0 3 303.381 2.005 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)nc1 ZINC001009271916 785420787 /nfs/dbraw/zinc/42/07/87/785420787.db2.gz WGETWZVATVGVEI-HIFRSBDPSA-N 0 3 303.381 2.005 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001109257781 785784970 /nfs/dbraw/zinc/78/49/70/785784970.db2.gz MTVRLRRFIZSJBD-PVAVHDDUSA-N 0 3 314.454 2.426 20 30 DEEDHN COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109260471 785786758 /nfs/dbraw/zinc/78/67/58/785786758.db2.gz IMTXMCJUOONAQT-PMPSAXMXSA-N 0 3 306.450 2.184 20 30 DEEDHN Cc1ccccc1CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010456059 785810520 /nfs/dbraw/zinc/81/05/20/785810520.db2.gz COEPKHLGQRKYRV-INIZCTEOSA-N 0 3 308.385 2.199 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCOc1ccccc1F ZINC001156712081 785877851 /nfs/dbraw/zinc/87/78/51/785877851.db2.gz DGULTBHYYASVKQ-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCC)cc1 ZINC001109587407 785942929 /nfs/dbraw/zinc/94/29/29/785942929.db2.gz GGCCIFIGEGBVIT-SQNIBIBYSA-N 0 3 312.413 2.040 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1occc1C)C2 ZINC001109696761 785989233 /nfs/dbraw/zinc/98/92/33/785989233.db2.gz LKUMAZIDNWNWRU-PMPSAXMXSA-N 0 3 318.417 2.055 20 30 DEEDHN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CCCCCC)C2 ZINC001109858148 786086775 /nfs/dbraw/zinc/08/67/75/786086775.db2.gz WQGPMETVAZKPNV-SQNIBIBYSA-N 0 3 319.493 2.243 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccncc2C)CC1 ZINC001112856203 786259372 /nfs/dbraw/zinc/25/93/72/786259372.db2.gz FYLHHQOYNJHCOR-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCCN1CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC001112942430 786315384 /nfs/dbraw/zinc/31/53/84/786315384.db2.gz XOPNSAXVKJVFSX-UHFFFAOYSA-N 0 3 316.327 2.153 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)n[nH]c1C)C2 ZINC001110087251 786334779 /nfs/dbraw/zinc/33/47/79/786334779.db2.gz NALHGHJANPXIRO-PVAVHDDUSA-N 0 3 316.449 2.257 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC001113059984 786388444 /nfs/dbraw/zinc/38/84/44/786388444.db2.gz KSHQAXXGPGXTIP-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN C=C(C)CCN1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001113433262 786591885 /nfs/dbraw/zinc/59/18/85/786591885.db2.gz BQUHJKUWKBZSJS-UHFFFAOYSA-N 0 3 304.438 2.082 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCc2nc(C)no2)CC1 ZINC001113630331 786737273 /nfs/dbraw/zinc/73/72/73/786737273.db2.gz AWWYILRTVLTJEJ-AWEZNQCLSA-N 0 3 320.437 2.200 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC001113673366 786756893 /nfs/dbraw/zinc/75/68/93/786756893.db2.gz OJXJIGQXFKSNFQ-CQSZACIVSA-N 0 3 324.856 2.426 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001014833391 786769547 /nfs/dbraw/zinc/76/95/47/786769547.db2.gz SOAXPLYJGBTOTN-KRWDZBQOSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001015274952 786972413 /nfs/dbraw/zinc/97/24/13/786972413.db2.gz VCMWOBWQQHWFDI-SECBINFHSA-N 0 3 303.284 2.074 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015317275 786998997 /nfs/dbraw/zinc/99/89/97/786998997.db2.gz FFQHBKVOJVBPBP-OAHLLOKOSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001015452413 787061309 /nfs/dbraw/zinc/06/13/09/787061309.db2.gz MYLQGYZCIBQXMZ-LBPRGKRZSA-N 0 3 301.346 2.315 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001015620249 787141328 /nfs/dbraw/zinc/14/13/28/787141328.db2.gz JDTIUSIDDVNNPB-CYBMUJFWSA-N 0 3 306.793 2.176 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc(F)ccc2F)c1 ZINC001129491165 787220964 /nfs/dbraw/zinc/22/09/64/787220964.db2.gz CNUAGMCATIOQHU-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=CCCCCC[NH2+]CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001130026893 787276649 /nfs/dbraw/zinc/27/66/49/787276649.db2.gz IQEXEESJESBACJ-UHFFFAOYSA-N 0 3 318.421 2.125 20 30 DEEDHN C=C(C)CN1CC[C@H](Oc2cnccc2CNC(=O)C(C)C)C1 ZINC001130310408 787341477 /nfs/dbraw/zinc/34/14/77/787341477.db2.gz GIWIOXLIXOUPTH-INIZCTEOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC2CCC2)C1 ZINC001130373145 787362553 /nfs/dbraw/zinc/36/25/53/787362553.db2.gz GZTNILJKSVKKHE-AWEZNQCLSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCNCc2cccnc2)cc1 ZINC001130371482 787362711 /nfs/dbraw/zinc/36/27/11/787362711.db2.gz WFKIWFMIYWFVCM-UHFFFAOYSA-N 0 3 311.385 2.166 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCC(=C)C)C1 ZINC001130391988 787369813 /nfs/dbraw/zinc/36/98/13/787369813.db2.gz AKJJFSWLOANOGR-AWEZNQCLSA-N 0 3 302.422 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@H](C)CC)C1 ZINC001130381511 787370697 /nfs/dbraw/zinc/37/06/97/787370697.db2.gz ZNYHJKFKNBHQRQ-KGLIPLIRSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(C(C)C)CC2)C1 ZINC001130423856 787387576 /nfs/dbraw/zinc/38/75/76/787387576.db2.gz WNWOOACPZHNLOT-AWEZNQCLSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130528353 787419913 /nfs/dbraw/zinc/41/99/13/787419913.db2.gz VCZGDZGLFAAAPZ-HLLBOEOZSA-N 0 3 318.465 2.172 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130532143 787421931 /nfs/dbraw/zinc/42/19/31/787421931.db2.gz WRYPMLISTRQCOG-HLLBOEOZSA-N 0 3 318.465 2.316 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)ccc1F ZINC001130540101 787426340 /nfs/dbraw/zinc/42/63/40/787426340.db2.gz XAPYYPHWUUUOTB-ZNMIVQPWSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)CC1 ZINC001095971753 787430697 /nfs/dbraw/zinc/43/06/97/787430697.db2.gz ATGYHDNFOJKCFL-ORQFMDKSSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001096019523 787452529 /nfs/dbraw/zinc/45/25/29/787452529.db2.gz LWTITRMUOUNMLY-BGTYHANMSA-N 0 3 311.429 2.094 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CC(=C)C)C[C@H]1c1cn(C)cn1 ZINC001130656750 787453323 /nfs/dbraw/zinc/45/33/23/787453323.db2.gz OIZNYIAQTGQPES-YQQAZPJKSA-N 0 3 316.449 2.092 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccnc(C3CC3)c2)c1 ZINC001130877441 787490360 /nfs/dbraw/zinc/49/03/60/787490360.db2.gz RDAIMHAESKIIMT-UHFFFAOYSA-N 0 3 320.396 2.350 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccncc2F)C1 ZINC001086662717 787577614 /nfs/dbraw/zinc/57/76/14/787577614.db2.gz FFWDKHLMXSKBAD-NWDGAFQWSA-N 0 3 311.788 2.461 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)nc1C ZINC001131388972 787610920 /nfs/dbraw/zinc/61/09/20/787610920.db2.gz IFNZSXMFXVJTCY-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=CCOCCN1CC[C@]2(C1)CN(C(=O)CCCC)C[C@@H](C)O2 ZINC001131629245 787665462 /nfs/dbraw/zinc/66/54/62/787665462.db2.gz ODZOWTPYYMFGQU-AEFFLSMTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001131751881 787716323 /nfs/dbraw/zinc/71/63/23/787716323.db2.gz NZRXOEVTFGRKRE-RDJZCZTQSA-N 0 3 302.418 2.472 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCCNCc1ccc(C)nc1C ZINC001131866877 787782479 /nfs/dbraw/zinc/78/24/79/787782479.db2.gz FPUDRCPRRXWJFA-GOSISDBHSA-N 0 3 319.449 2.133 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(CCn2nc(C)cc2C)C1 ZINC001131894832 787785593 /nfs/dbraw/zinc/78/55/93/787785593.db2.gz BUKLISSDMOXAHZ-NVXWUHKLSA-N 0 3 318.465 2.435 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(C3CC3)CCC2)cc1F ZINC001131913324 787799597 /nfs/dbraw/zinc/79/95/97/787799597.db2.gz OFRSUIRJMQEJEC-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCC=C)C1 ZINC001131976768 787848400 /nfs/dbraw/zinc/84/84/00/787848400.db2.gz OFILXROKVFVVKZ-DLBZAZTESA-N 0 3 306.450 2.352 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132061157 787909209 /nfs/dbraw/zinc/90/92/09/787909209.db2.gz PIQMKQNBVWUFID-JKSUJKDBSA-N 0 3 318.465 2.455 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3n[nH]cc31)C2 ZINC001097079073 787970931 /nfs/dbraw/zinc/97/09/31/787970931.db2.gz HJPZJMJQKNHKSG-GFOFROLCSA-N 0 3 314.433 2.127 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001132215586 787975766 /nfs/dbraw/zinc/97/57/66/787975766.db2.gz AKGCYXSVTMWOSG-UHFFFAOYSA-N 0 3 303.365 2.059 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001132215999 787976933 /nfs/dbraw/zinc/97/69/33/787976933.db2.gz VGYNPMQBTHIJKH-UHFFFAOYSA-N 0 3 303.365 2.059 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001097226853 788028338 /nfs/dbraw/zinc/02/83/38/788028338.db2.gz YRLXUVXCVNUSLK-JJXSEGSLSA-N 0 3 317.433 2.044 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)CC[C@@H]1C ZINC001132326642 788034729 /nfs/dbraw/zinc/03/47/29/788034729.db2.gz GQQZHOVCQXQLNW-GOEBONIOSA-N 0 3 319.449 2.417 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCn2ccnc2C)CC[C@H]1C ZINC001132354740 788035352 /nfs/dbraw/zinc/03/53/52/788035352.db2.gz OYLSLXRKADYAFH-ZBFHGGJFSA-N 0 3 304.438 2.127 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CC[C@@H]1C ZINC001132402983 788059290 /nfs/dbraw/zinc/05/92/90/788059290.db2.gz OOHDBBFIVKEPAI-GJZGRUSLSA-N 0 3 317.433 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2cccnc2)CC[C@@H]1C ZINC001132447902 788082480 /nfs/dbraw/zinc/08/24/80/788082480.db2.gz CCQGUEDNRNVVCA-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCOC3)C2 ZINC001097518576 788124068 /nfs/dbraw/zinc/12/40/68/788124068.db2.gz URUYVXZPYNZWOK-QRVBRYPASA-N 0 3 324.424 2.118 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132569182 788133251 /nfs/dbraw/zinc/13/32/51/788133251.db2.gz MGUOHNSCJOFDGX-QWHCGFSZSA-N 0 3 303.381 2.361 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1OCCc3ccccc31)C2 ZINC001097624585 788152492 /nfs/dbraw/zinc/15/24/92/788152492.db2.gz XKAZNIGMTDOJTG-YSHGAJCASA-N 0 3 324.424 2.045 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(F)c(C#N)c1)C1CC1 ZINC001132671100 788162225 /nfs/dbraw/zinc/16/22/25/788162225.db2.gz IPXBQWRIZGAILX-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CC[C@H](F)C2)cc1F ZINC001132955360 788242740 /nfs/dbraw/zinc/24/27/40/788242740.db2.gz VUORCCQIDFBYOZ-JSGCOSHPSA-N 0 3 307.344 2.041 20 30 DEEDHN COc1cc(CNCCCC[C@@H](C)NC(=O)C#CC(C)C)on1 ZINC001170647589 788270000 /nfs/dbraw/zinc/27/00/00/788270000.db2.gz GPXIPOKPUCDUPP-CQSZACIVSA-N 0 3 321.421 2.107 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2Cc3ccccc32)c1 ZINC001133125301 788288905 /nfs/dbraw/zinc/28/89/05/788288905.db2.gz OXKNTJIKJXMHHS-SFHVURJKSA-N 0 3 305.381 2.104 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)no1)C2 ZINC001097959970 788295234 /nfs/dbraw/zinc/29/52/34/788295234.db2.gz AEQICOBORKKGHT-YUELXQCFSA-N 0 3 301.390 2.463 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC001133154594 788297914 /nfs/dbraw/zinc/29/79/14/788297914.db2.gz LNVDPHAXCNPTEI-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)NCCN[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC001133157730 788298869 /nfs/dbraw/zinc/29/88/69/788298869.db2.gz NTUZOCFZYWHBFT-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OC ZINC001133385539 788396289 /nfs/dbraw/zinc/39/62/89/788396289.db2.gz OSMGPCLZSDPFLQ-CQSZACIVSA-N 0 3 322.836 2.316 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)N[O-] ZINC001170685312 788415722 /nfs/dbraw/zinc/41/57/22/788415722.db2.gz KMOPVGQXMLEIEK-FMSQNYNMSA-N 0 3 312.360 2.332 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)c1ccco1 ZINC001133727962 788581216 /nfs/dbraw/zinc/58/12/16/788581216.db2.gz MSHIYZHVHQEYQZ-LBPRGKRZSA-N 0 3 315.348 2.300 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1cocn1)NCc1ccccc1C#N ZINC001133941645 788686959 /nfs/dbraw/zinc/68/69/59/788686959.db2.gz AZECABZHGWVYPZ-OLZOCXBDSA-N 0 3 312.373 2.233 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134014594 788720542 /nfs/dbraw/zinc/72/05/42/788720542.db2.gz RIMLMEKVGKVAJX-KGLIPLIRSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(CC)n1 ZINC001134119271 788771756 /nfs/dbraw/zinc/77/17/56/788771756.db2.gz OITULYLVXUDFIS-HOTGVXAUSA-N 0 3 318.465 2.470 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(C#N)c1)NCc1nccs1 ZINC001134140129 788779558 /nfs/dbraw/zinc/77/95/58/788779558.db2.gz ZGGBMBZANAJQIE-MNOVXSKESA-N 0 3 317.418 2.030 20 30 DEEDHN Cc1nc(C)c(CN[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001134322002 788869604 /nfs/dbraw/zinc/86/96/04/788869604.db2.gz ODEMBNBGTYDWPT-RYUDHWBXSA-N 0 3 303.406 2.078 20 30 DEEDHN Cc1ncc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001134329651 788874809 /nfs/dbraw/zinc/87/48/09/788874809.db2.gz QJHSMHYGGBXWLI-CHWSQXEVSA-N 0 3 305.422 2.405 20 30 DEEDHN CCn1ccnc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134328437 788875572 /nfs/dbraw/zinc/87/55/72/788875572.db2.gz CMRKDJDRQMFHJT-LSDHHAIUSA-N 0 3 318.465 2.325 20 30 DEEDHN C=CCCC(=O)N1CCC(CC)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001069238974 788968648 /nfs/dbraw/zinc/96/86/48/788968648.db2.gz WFMNPCAUBAJMDV-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC#CCNCCNC(=O)[C@H](CC1CCCC1)C(C)C ZINC001134693212 789034067 /nfs/dbraw/zinc/03/40/67/789034067.db2.gz PGJIRBZZUFPIHG-QGZVFWFLSA-N 0 3 308.466 2.195 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)C[C@@H](C)CCCCC)C1=O ZINC001134821868 789100019 /nfs/dbraw/zinc/10/00/19/789100019.db2.gz STPNDRQVMPRGFB-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001134880290 789121712 /nfs/dbraw/zinc/12/17/12/789121712.db2.gz MMBCYUITPNIXTL-WDEREUQCSA-N 0 3 322.840 2.450 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2C[C@H]2C2CCC2)s1 ZINC001135099108 789198230 /nfs/dbraw/zinc/19/82/30/789198230.db2.gz ITGPYCAOMIRLGS-LSDHHAIUSA-N 0 3 303.431 2.262 20 30 DEEDHN C=CC1(CC(=O)NCCNCC(=O)NCCCC)CCCCC1 ZINC001135190968 789230178 /nfs/dbraw/zinc/23/01/78/789230178.db2.gz QJDKPWGMRCCLAF-UHFFFAOYSA-N 0 3 323.481 2.135 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1snnc1C ZINC001135224585 789249612 /nfs/dbraw/zinc/24/96/12/789249612.db2.gz FYJYPXUGVTVVDW-OLZOCXBDSA-N 0 3 322.478 2.413 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001135235779 789255064 /nfs/dbraw/zinc/25/50/64/789255064.db2.gz MYHXMCDRTGYRFX-JSGCOSHPSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2CC(C)C2)C1 ZINC001070403561 789311736 /nfs/dbraw/zinc/31/17/36/789311736.db2.gz WBKOTTHCSBBRQE-MOKVOYLWSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2CC3(CC3)C2)C1 ZINC001070425004 789322364 /nfs/dbraw/zinc/32/23/64/789322364.db2.gz ZWZCDEYAVQEAIA-ZDUSSCGKSA-N 0 3 314.433 2.191 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@](C)(C=C)CC)C[C@H]1c1cn(C)cn1 ZINC001070530514 789367162 /nfs/dbraw/zinc/36/71/62/789367162.db2.gz YRSWAUKDBMDMDY-LESCRADOSA-N 0 3 316.449 2.092 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1cccnn1)NCc1ccccc1C#N ZINC001135739788 789473815 /nfs/dbraw/zinc/47/38/15/789473815.db2.gz SKZPTLHBBYMAAW-KBPBESRZSA-N 0 3 323.400 2.035 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)c1cccs1)C[C@H](C)O2 ZINC001071129046 789543354 /nfs/dbraw/zinc/54/33/54/789543354.db2.gz DKCPYQPXWTWXAO-YOEHRIQHSA-N 0 3 318.442 2.077 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccoc1)C[C@H](C)O2 ZINC001071137083 789550986 /nfs/dbraw/zinc/55/09/86/789550986.db2.gz VFLMNBNIJQWXHZ-WMLDXEAASA-N 0 3 304.390 2.161 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1=CCCC1)C[C@H](C)O2 ZINC001071156912 789563600 /nfs/dbraw/zinc/56/36/00/789563600.db2.gz OIYOLEIJFGWVRK-MAUKXSAKSA-N 0 3 304.434 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)Cc1ccco1)C[C@H](C)O2 ZINC001071222427 789600774 /nfs/dbraw/zinc/60/07/74/789600774.db2.gz BUWLYHLYSORGLR-MAUKXSAKSA-N 0 3 318.417 2.090 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H]2C[C@H]2C(C)C)cc1C#N ZINC001136061439 789613792 /nfs/dbraw/zinc/61/37/92/789613792.db2.gz MNYXNASSACJGLO-HOTGVXAUSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001071260705 789614494 /nfs/dbraw/zinc/61/44/94/789614494.db2.gz DKSOEVSQDAKEQQ-RVKKMQEKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H]1C[C@@]1(Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(=O)OCC ZINC001170922367 789659843 /nfs/dbraw/zinc/65/98/43/789659843.db2.gz KHMVKWUPXSVUHO-LRDDRELGSA-N 0 3 317.345 2.118 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC001086828888 789670420 /nfs/dbraw/zinc/67/04/20/789670420.db2.gz WCXAKYHWLBKCEE-UONOGXRCSA-N 0 3 322.840 2.334 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@H]1C ZINC001071517952 789754644 /nfs/dbraw/zinc/75/46/44/789754644.db2.gz LTABYGGHVVGGFR-ZIAGYGMSSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(F)cccc2OC)CC[C@@H]1C ZINC001071528213 789761138 /nfs/dbraw/zinc/76/11/38/789761138.db2.gz QHKRIRHPVQJWCB-UONOGXRCSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(F)cccc2OC)CC[C@@H]1C ZINC001071528211 789761535 /nfs/dbraw/zinc/76/15/35/789761535.db2.gz QHKRIRHPVQJWCB-KBPBESRZSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)CC[C@H]1C ZINC001071622718 789820795 /nfs/dbraw/zinc/82/07/95/789820795.db2.gz MMSPGNFAWJBWRE-ZBFHGGJFSA-N 0 3 324.428 2.179 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3ccccn23)CC[C@H]1C ZINC001071623754 789821786 /nfs/dbraw/zinc/82/17/86/789821786.db2.gz BPVSZVMLIOTXTR-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@H]1C ZINC001071638750 789832798 /nfs/dbraw/zinc/83/27/98/789832798.db2.gz ONJLKOOULBRQLD-ZIAGYGMSSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@H]1C ZINC001071642044 789835214 /nfs/dbraw/zinc/83/52/14/789835214.db2.gz KCKPFKGSTXYJBD-KGLIPLIRSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@H]1C ZINC001071641883 789835851 /nfs/dbraw/zinc/83/58/51/789835851.db2.gz HGSFPNTZAWPMRR-CABCVRRESA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cn(C)nc2Cl)CC[C@@H]1C ZINC001071821279 789929898 /nfs/dbraw/zinc/92/98/98/789929898.db2.gz MCGRDKCLEPQWRQ-GXTWGEPZSA-N 0 3 324.856 2.161 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccnc(OC)c2)CC[C@H]1C ZINC001071827787 789933472 /nfs/dbraw/zinc/93/34/72/789933472.db2.gz DHNUUXOZZGEWFS-GDBMZVCRSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2c(C)noc2Cl)CC[C@H]1C ZINC001071891052 789960725 /nfs/dbraw/zinc/96/07/25/789960725.db2.gz WMZCGLJGFUGMNR-DGCLKSJQSA-N 0 3 323.824 2.171 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn3ccccc23)CC[C@@H]1C ZINC001071901734 789965582 /nfs/dbraw/zinc/96/55/82/789965582.db2.gz VUZXCFWQJXWDEX-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2coc(CC3CC3)n2)CC[C@@H]1C ZINC001071950070 789983380 /nfs/dbraw/zinc/98/33/80/789983380.db2.gz DABNZRVCKGSFME-ZFWWWQNUSA-N 0 3 315.417 2.233 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(CCC)on2)CC[C@H]1C ZINC001071954314 789985220 /nfs/dbraw/zinc/98/52/20/789985220.db2.gz NFSPXKQPXLPDSH-ZIAGYGMSSA-N 0 3 303.406 2.233 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nn(C)c3ccccc32)CC[C@H]1C ZINC001072007107 790009570 /nfs/dbraw/zinc/00/95/70/790009570.db2.gz YJWBQNUTNZMNBQ-CABCVRRESA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)CC[C@@H]1C ZINC001072096018 790050981 /nfs/dbraw/zinc/05/09/81/790050981.db2.gz SALMJGKAFIPODR-LSDHHAIUSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2scnc2C)C(=O)C2CC2)C1 ZINC001072134402 790065657 /nfs/dbraw/zinc/06/56/57/790065657.db2.gz NTDICTYTDKDNHW-CQSZACIVSA-N 0 3 317.458 2.145 20 30 DEEDHN Cc1ccc(F)cc1CN1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072551717 790175335 /nfs/dbraw/zinc/17/53/35/790175335.db2.gz ITMIXQPTGMQHJH-CQSZACIVSA-N 0 3 315.392 2.328 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001072639541 790205540 /nfs/dbraw/zinc/20/55/40/790205540.db2.gz XYMSQVRTJHECAJ-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001074570083 791233833 /nfs/dbraw/zinc/23/38/33/791233833.db2.gz KYJADBBNTBBSPN-PGUXBMHVSA-N 0 3 307.344 2.203 20 30 DEEDHN CC[C@@H](F)CN1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1 ZINC001091574345 791311409 /nfs/dbraw/zinc/31/14/09/791311409.db2.gz FKTAFSYYUIOWJF-CPUCHLNUSA-N 0 3 318.396 2.028 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001075046559 791441456 /nfs/dbraw/zinc/44/14/56/791441456.db2.gz WNAUMADWGUHTGU-CABCVRRESA-N 0 3 323.481 2.179 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CC2(C1)CCN(CCOC1CCC1)C2 ZINC001147522766 791570095 /nfs/dbraw/zinc/57/00/95/791570095.db2.gz ISOKSEXTGLJSCK-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3sc(Cl)nc3C)C[C@]2(C)C1 ZINC001091705576 791730343 /nfs/dbraw/zinc/73/03/43/791730343.db2.gz HCRMEDTVWZKKBH-ABAIWWIYSA-N 0 3 323.849 2.132 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)s1)n1cccc1 ZINC001148396158 791739611 /nfs/dbraw/zinc/73/96/11/791739611.db2.gz PKVARCFNXMZZGD-CYBMUJFWSA-N 0 3 316.430 2.278 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)s1)n1cccc1 ZINC001148396159 791740207 /nfs/dbraw/zinc/74/02/07/791740207.db2.gz PKVARCFNXMZZGD-ZDUSSCGKSA-N 0 3 316.430 2.278 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)C[C@]2(C)C1 ZINC001091725295 791765356 /nfs/dbraw/zinc/76/53/56/791765356.db2.gz HUAXONQOKCYWEY-LZWOXQAQSA-N 0 3 310.388 2.225 20 30 DEEDHN CCCCCCCCCCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001148751341 791800200 /nfs/dbraw/zinc/80/02/00/791800200.db2.gz FXMDQOILZFUFFX-HNNXBMFYSA-N 0 3 313.486 2.358 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccccn3)C2)CC1 ZINC001086898950 791841536 /nfs/dbraw/zinc/84/15/36/791841536.db2.gz WMTGMEVJKJNYOL-MRXNPFEDSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001086905412 791844361 /nfs/dbraw/zinc/84/43/61/791844361.db2.gz ZEWUBSGPOQSYSR-HNNXBMFYSA-N 0 3 312.413 2.342 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3c[nH]nc3C)C2)CC1 ZINC001086935561 791855572 /nfs/dbraw/zinc/85/55/72/791855572.db2.gz UPTHLJBVSZTTSA-CQSZACIVSA-N 0 3 314.433 2.058 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C3CC(OC)C3)C2)CC1 ZINC001086928167 791859165 /nfs/dbraw/zinc/85/91/65/791859165.db2.gz XANWXBXSMMQVFT-GTPINHCMSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1csc(C)n1)C2 ZINC001098341133 791870488 /nfs/dbraw/zinc/87/04/88/791870488.db2.gz JBACUCIXQYUSSP-KFWWJZLASA-N 0 3 305.447 2.292 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nn(C)cc2Cl)C1 ZINC001098853882 791962802 /nfs/dbraw/zinc/96/28/02/791962802.db2.gz XDLYXLAQLNLVBQ-LRDDRELGSA-N 0 3 322.840 2.234 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001098863189 791966487 /nfs/dbraw/zinc/96/64/87/791966487.db2.gz XXBWKSGLBBGADU-KSSFIOAISA-N 0 3 314.433 2.068 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3c[nH]nc32)C1 ZINC001098970734 792007588 /nfs/dbraw/zinc/00/75/88/792007588.db2.gz NOGFSQINNXPUFU-KXBFYZLASA-N 0 3 322.412 2.171 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)NC(=O)CC ZINC001099092263 792088348 /nfs/dbraw/zinc/08/83/48/792088348.db2.gz ANBZLDYCUIPTRA-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(F)CCOCC1 ZINC001099106313 792096602 /nfs/dbraw/zinc/09/66/02/792096602.db2.gz DELRDTPGWJVWSY-OAHLLOKOSA-N 0 3 324.440 2.135 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C(C)(C)C)cn2)[C@H](C)C1 ZINC001092614517 792098458 /nfs/dbraw/zinc/09/84/58/792098458.db2.gz GTQRJWPIHRQFAA-HUUCEWRRSA-N 0 3 313.445 2.310 20 30 DEEDHN C=C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO)c1ccccc1 ZINC001110135224 792107364 /nfs/dbraw/zinc/10/73/64/792107364.db2.gz RECNXPMENNSMEF-BGTYHANMSA-N 0 3 314.429 2.060 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001099166411 792125038 /nfs/dbraw/zinc/12/50/38/792125038.db2.gz VSKYGLKWYJACEB-XHSDSOJGSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOC ZINC001099189807 792131837 /nfs/dbraw/zinc/13/18/37/792131837.db2.gz XKAVKLYELKBJDW-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2nc3ccccc3cc2C)[C@H](C)C1 ZINC001092840104 792137302 /nfs/dbraw/zinc/13/73/02/792137302.db2.gz LMUOGJHLDLLMPU-NVXWUHKLSA-N 0 3 321.424 2.474 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001099270620 792157089 /nfs/dbraw/zinc/15/70/89/792157089.db2.gz DAOMHFIEOSJIEH-ZIAGYGMSSA-N 0 3 312.335 2.394 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cnn(C)c1 ZINC001099354745 792179742 /nfs/dbraw/zinc/17/97/42/792179742.db2.gz VKTFBXNCABXLTO-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC=C ZINC001099364675 792183232 /nfs/dbraw/zinc/18/32/32/792183232.db2.gz OJLXQEDRKRSDKH-JKSUJKDBSA-N 0 3 306.450 2.208 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnc(CC(C)C)s2)[C@H](C)C1 ZINC001093250191 792310614 /nfs/dbraw/zinc/31/06/14/792310614.db2.gz BPILLWVTUAJYDL-ZIAGYGMSSA-N 0 3 319.474 2.273 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C[C@H]1O ZINC001099723976 792327987 /nfs/dbraw/zinc/32/79/87/792327987.db2.gz LEZOVVKVIWGBMK-ZWKOTPCHSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C[C@H]1O ZINC001099973882 792425582 /nfs/dbraw/zinc/42/55/82/792425582.db2.gz KHUFZMVHXNEUHC-QZTJIDSGSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099976369 792426094 /nfs/dbraw/zinc/42/60/94/792426094.db2.gz NHIYGHKPTHZSCB-DLBZAZTESA-N 0 3 306.450 2.395 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2ccccc2)C[C@H]1O ZINC001099974152 792426469 /nfs/dbraw/zinc/42/64/69/792426469.db2.gz NVBOTAFPUGJQIZ-ZWKOTPCHSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100085895 792466720 /nfs/dbraw/zinc/46/67/20/792466720.db2.gz SOHKKFFJRWBMMY-IRXDYDNUSA-N 0 3 308.466 2.312 20 30 DEEDHN O=C(CCCF)NCC1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001100579387 792731307 /nfs/dbraw/zinc/73/13/07/792731307.db2.gz SGSSAABNUXEBGU-UHFFFAOYSA-N 0 3 320.383 2.411 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2oc(C)nc2C)C1 ZINC001100591213 792737462 /nfs/dbraw/zinc/73/74/62/792737462.db2.gz SHLJNLKZZHOJNE-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100596829 792741032 /nfs/dbraw/zinc/74/10/32/792741032.db2.gz FPJHBRGQJSPOCK-QQFBHYJXSA-N 0 3 316.449 2.372 20 30 DEEDHN Cc1conc1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100829348 792874249 /nfs/dbraw/zinc/87/42/49/792874249.db2.gz PJCVYVSSCCRROP-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccn(C(C)C)n3)CCC[C@@H]12 ZINC001094528178 792965538 /nfs/dbraw/zinc/96/55/38/792965538.db2.gz MQZUIVDYDULDEZ-SJLPKXTDSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001094534368 792968665 /nfs/dbraw/zinc/96/86/65/792968665.db2.gz BLIDHLNCFSLNGG-UIBIWLFHSA-N 0 3 324.440 2.298 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)CCC)c2)C1 ZINC001101089275 793012156 /nfs/dbraw/zinc/01/21/56/793012156.db2.gz QUSYVNRXPBAKSR-MRXNPFEDSA-N 0 3 303.406 2.137 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001172313361 793395987 /nfs/dbraw/zinc/39/59/87/793395987.db2.gz VOFNTAJOLPHFHI-RDTXWAMCSA-N 0 3 311.429 2.480 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C(C)(C)C(C)(C)C)[C@H](C)C1 ZINC001102229876 793536807 /nfs/dbraw/zinc/53/68/07/793536807.db2.gz HYUZISNDULFRGJ-HZPDHXFCSA-N 0 3 322.493 2.393 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CN(Cc2ocnc2C)C[C@H]1C ZINC001102254711 793546735 /nfs/dbraw/zinc/54/67/35/793546735.db2.gz LJSUJHDPCBKEDD-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102260691 793547657 /nfs/dbraw/zinc/54/76/57/793547657.db2.gz AMIVDFBXGYOVFE-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC001102521175 793639697 /nfs/dbraw/zinc/63/96/97/793639697.db2.gz VIWDZXRLFYOXGM-BRSBDYLESA-N 0 3 320.477 2.147 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3ccncn3)CC2)CC1 ZINC001173326911 793679030 /nfs/dbraw/zinc/67/90/30/793679030.db2.gz UXDGUSLUUPWWSD-UHFFFAOYSA-N 0 3 302.422 2.112 20 30 DEEDHN N#CCC1CCC(N2CCOC[C@](O)(C(F)(F)F)C2)CC1 ZINC001173330610 793680237 /nfs/dbraw/zinc/68/02/37/793680237.db2.gz DNQXOESWKMWONF-BPCQOVAHSA-N 0 3 306.328 2.084 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)COCCC)C1 ZINC001102743582 793732157 /nfs/dbraw/zinc/73/21/57/793732157.db2.gz BAHNOHDZNYCVIR-TZMCWYRMSA-N 0 3 302.846 2.240 20 30 DEEDHN CCOC(=O)C1(C#N)CCN([C@@H](C)CCCCC(=O)OC)CC1 ZINC001173459425 793743630 /nfs/dbraw/zinc/74/36/30/793743630.db2.gz DAJHOZBAODUGKA-AWEZNQCLSA-N 0 3 324.421 2.277 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]cn2)C1 ZINC001103070662 793927477 /nfs/dbraw/zinc/92/74/77/793927477.db2.gz PPBDUIUBXHMWCI-TZMCWYRMSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174684372 794040322 /nfs/dbraw/zinc/04/03/22/794040322.db2.gz ZSVBBSUFWSAILT-LBPRGKRZSA-N 0 3 307.442 2.090 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCOCC)C2 ZINC001110178986 794126158 /nfs/dbraw/zinc/12/61/58/794126158.db2.gz PJRGYSABBPOYJT-IKGGRYGDSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OCC2CC2)nc1 ZINC001176955921 794540746 /nfs/dbraw/zinc/54/07/46/794540746.db2.gz DWGJQJRQDBFADT-UHFFFAOYSA-N 0 3 323.824 2.332 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1C(F)(F)F ZINC001112149679 794565303 /nfs/dbraw/zinc/56/53/03/794565303.db2.gz NPAYUKLQFUFQDU-CHWSQXEVSA-N 0 3 316.367 2.425 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C1(CCOC)CCCC1 ZINC001177217805 794609434 /nfs/dbraw/zinc/60/94/34/794609434.db2.gz OPPZNKOEODLXFM-UHFFFAOYSA-N 0 3 302.846 2.432 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCCOc1ccncc1 ZINC001177918456 794776644 /nfs/dbraw/zinc/77/66/44/794776644.db2.gz YVCIHSNAMFKLBW-LBPRGKRZSA-N 0 3 301.371 2.021 20 30 DEEDHN Cc1cnc(CNCCCCCCNC(=O)[C@@H](C)C#N)s1 ZINC001178052541 794806814 /nfs/dbraw/zinc/80/68/14/794806814.db2.gz ITRBVTBVLRZTGZ-LBPRGKRZSA-N 0 3 308.451 2.377 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](O)C(C)C)CCCCC1 ZINC001115516792 794806859 /nfs/dbraw/zinc/80/68/59/794806859.db2.gz IOKASIBYKABRRD-CYBMUJFWSA-N 0 3 302.846 2.165 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)CC(C2CC2)C2CC2)C1 ZINC001150786706 794872184 /nfs/dbraw/zinc/87/21/84/794872184.db2.gz AXKQUQBBDSHOAU-KRWDZBQOSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2n[nH]cc2F)CCCCC1 ZINC001115716874 794893118 /nfs/dbraw/zinc/89/31/18/794893118.db2.gz CZMJCDYDKGFXIP-UHFFFAOYSA-N 0 3 314.792 2.324 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H](C)CCCC)[C@H]1C ZINC001178725941 794974041 /nfs/dbraw/zinc/97/40/41/794974041.db2.gz SUCKOCBUHVZFHP-WCVJEAGWSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1=O ZINC001116771286 794985577 /nfs/dbraw/zinc/98/55/77/794985577.db2.gz FGXOCSGUSJFBGB-IMJJTQAJSA-N 0 3 313.401 2.146 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1=O ZINC001116771288 794985704 /nfs/dbraw/zinc/98/57/04/794985704.db2.gz FGXOCSGUSJFBGB-KBMXLJTQSA-N 0 3 313.401 2.146 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001178795734 794996816 /nfs/dbraw/zinc/99/68/16/794996816.db2.gz WGADGJOLNMBYQF-ZFWWWQNUSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCC(=O)N(C)C(C)C)[C@@H]1C ZINC001179384367 795110559 /nfs/dbraw/zinc/11/05/59/795110559.db2.gz KPHXXYOGZPNWBM-JYJNAYRXSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001179384276 795110714 /nfs/dbraw/zinc/11/07/14/795110714.db2.gz IKFPKWGKBUMPAK-ZQIUZPCESA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001180427848 795294586 /nfs/dbraw/zinc/29/45/86/795294586.db2.gz MRXZDIVDCNTWEZ-HNNXBMFYSA-N 0 3 323.437 2.340 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCCCCNCc1cc(C)no1 ZINC001180427849 795295001 /nfs/dbraw/zinc/29/50/01/795295001.db2.gz MRXZDIVDCNTWEZ-OAHLLOKOSA-N 0 3 323.437 2.340 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccoc2C)CC1 ZINC001150930522 795314574 /nfs/dbraw/zinc/31/45/74/795314574.db2.gz OOJKPWYDJXGTSU-UHFFFAOYSA-N 0 3 306.406 2.375 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC001206428341 795357665 /nfs/dbraw/zinc/35/76/65/795357665.db2.gz YQWFXJNGXGGLTG-UHFFFAOYSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cc(C)n(C)n2)C1 ZINC001180846426 795374453 /nfs/dbraw/zinc/37/44/53/795374453.db2.gz MNQCAJOBOYZCNI-RDTXWAMCSA-N 0 3 318.465 2.269 20 30 DEEDHN CSCCC(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001180838874 795377614 /nfs/dbraw/zinc/37/76/14/795377614.db2.gz PGHVDYULZZBXKX-CQSZACIVSA-N 0 3 321.421 2.141 20 30 DEEDHN Cc1nc(CNC[C@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cs1 ZINC001180921674 795390544 /nfs/dbraw/zinc/39/05/44/795390544.db2.gz UJRLNIMFZZPURE-HWWQOWPSSA-N 0 3 320.462 2.185 20 30 DEEDHN N#Cc1cccc(CNCCCNC(=O)/C=C/c2ccccc2)n1 ZINC001181205120 795438072 /nfs/dbraw/zinc/43/80/72/795438072.db2.gz IZAUIBGFASAZJR-ZHACJKMWSA-N 0 3 320.396 2.263 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cnccc2C)CC1 ZINC001151042774 795481180 /nfs/dbraw/zinc/48/11/80/795481180.db2.gz SHAIRJXQDUOTNE-UHFFFAOYSA-N 0 3 317.433 2.177 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC001181535493 795488936 /nfs/dbraw/zinc/48/89/36/795488936.db2.gz WFYZQYSFIVWQMZ-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN O[C@H](CNCC#C[C@H]1CCCCO1)COc1ccccc1Cl ZINC001120609195 795497479 /nfs/dbraw/zinc/49/74/79/795497479.db2.gz ALIRSTIIQZRVLO-HUUCEWRRSA-N 0 3 323.820 2.242 20 30 DEEDHN C#CC[C@@H](CC)c1nnc(N2CCN(CC(C)C)CC2)n1C ZINC001121239791 795607137 /nfs/dbraw/zinc/60/71/37/795607137.db2.gz CAIHSVOUSJGYFQ-OAHLLOKOSA-N 0 3 303.454 2.110 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001110266992 795635024 /nfs/dbraw/zinc/63/50/24/795635024.db2.gz NXJFMEXNAAQIAF-HZMVEIRTSA-N 0 3 304.434 2.267 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccncc2C)CC1 ZINC001151107986 795635784 /nfs/dbraw/zinc/63/57/84/795635784.db2.gz LIBPNZIDNXVXGL-UHFFFAOYSA-N 0 3 317.433 2.177 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CC2(CC(NCc3nccn3C)C2)C1 ZINC001121516236 795642554 /nfs/dbraw/zinc/64/25/54/795642554.db2.gz NJIXCGMORVIUMO-UHFFFAOYSA-N 0 3 316.449 2.149 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C(C)(F)F ZINC001121634020 795665066 /nfs/dbraw/zinc/66/50/66/795665066.db2.gz OOCWVBZARBYBBD-NWDGAFQWSA-N 0 3 313.396 2.495 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001182415277 795672332 /nfs/dbraw/zinc/67/23/32/795672332.db2.gz WTUVZOFUFGMPQW-CQSZACIVSA-N 0 3 319.836 2.475 20 30 DEEDHN CCn1c(CCCCC#N)nnc1N1CCN(CC(C)C)CC1 ZINC001121783482 795686694 /nfs/dbraw/zinc/68/66/94/795686694.db2.gz XMWMXLMAJGVUOM-UHFFFAOYSA-N 0 3 318.469 2.312 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC001122042227 795720356 /nfs/dbraw/zinc/72/03/56/795720356.db2.gz DZQGGCIQAHJKTI-KGLIPLIRSA-N 0 3 322.478 2.032 20 30 DEEDHN Cc1csc(C[C@H]2CCN(C(=O)[C@@H](N)CCCCC#N)C2)n1 ZINC001122250850 795739652 /nfs/dbraw/zinc/73/96/52/795739652.db2.gz WGDIGQIWONZDBO-KGLIPLIRSA-N 0 3 320.462 2.254 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001122331554 795748181 /nfs/dbraw/zinc/74/81/81/795748181.db2.gz NXVFWWGEDMLEIK-HUUCEWRRSA-N 0 3 300.402 2.462 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC001122577374 795779382 /nfs/dbraw/zinc/77/93/82/795779382.db2.gz BDTOSCSTWBMSRW-SCVCMEIPSA-N 0 3 320.370 2.087 20 30 DEEDHN C=C(CN1CCCC1)C(=O)N1CCc2ccc(C(C)=O)cc2C1 ZINC001183045091 795794611 /nfs/dbraw/zinc/79/46/11/795794611.db2.gz SYBQUHAGPGCVMY-UHFFFAOYSA-N 0 3 312.413 2.426 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2ccccc2[C@H]1O ZINC001183390771 795862979 /nfs/dbraw/zinc/86/29/79/795862979.db2.gz LEMZJGSPPFDMPJ-RYQLBKOJSA-N 0 3 314.429 2.049 20 30 DEEDHN C=CCC1(COC(=O)C2CCCN(C3CC3)C2=O)CCOCC1 ZINC001123292319 795887294 /nfs/dbraw/zinc/88/72/94/795887294.db2.gz VLOAYJYWRASPFH-OAHLLOKOSA-N 0 3 321.417 2.304 20 30 DEEDHN Cc1ccoc1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001123535530 795928743 /nfs/dbraw/zinc/92/87/43/795928743.db2.gz QWENTGLWQQGUQI-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001183854861 795945823 /nfs/dbraw/zinc/94/58/23/795945823.db2.gz WUYASQOXQZILPU-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN OC[C@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C[C@H]1O ZINC001138335349 796199289 /nfs/dbraw/zinc/19/92/89/796199289.db2.gz NUIJWTOCHJBKPV-NHCUHLMSSA-N 0 3 321.420 2.262 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](C)[C@@H]2CO)cc1OC ZINC001138343568 796201584 /nfs/dbraw/zinc/20/15/84/796201584.db2.gz MRCJQDVGMQBODH-HOCLYGCPSA-N 0 3 303.402 2.300 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](O)[C@@H](F)CC2)cc1OC ZINC001138343966 796201922 /nfs/dbraw/zinc/20/19/22/796201922.db2.gz TZGCUIBSUKORAY-LSDHHAIUSA-N 0 3 307.365 2.002 20 30 DEEDHN C#CCOc1ccc(CN2CC(N3CCCCC3)C2)cc1OC ZINC001138348635 796203498 /nfs/dbraw/zinc/20/34/98/796203498.db2.gz MIGPMENKICXUGE-UHFFFAOYSA-N 0 3 314.429 2.377 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(c3cccnc3)CCCC2)C1 ZINC001185189555 796207170 /nfs/dbraw/zinc/20/71/70/796207170.db2.gz FVHATUWOSBJVEA-QGZVFWFLSA-N 0 3 311.429 2.107 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCCN(C(=O)OC)CC2)c1[O-] ZINC001138625388 796246030 /nfs/dbraw/zinc/24/60/30/796246030.db2.gz KFVCVBUCOGKMNG-UHFFFAOYSA-N 0 3 304.390 2.395 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCCN(C(=O)OC)CC2)c1[O-] ZINC001138625388 796246034 /nfs/dbraw/zinc/24/60/34/796246034.db2.gz KFVCVBUCOGKMNG-UHFFFAOYSA-N 0 3 304.390 2.395 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001186206823 796378618 /nfs/dbraw/zinc/37/86/18/796378618.db2.gz VKANBKUBXQOFKG-VNQPRFMTSA-N 0 3 300.377 2.143 20 30 DEEDHN C=CCn1cc(CN2CC[C@@H]3OCCC[C@@]3(COC)C2)cn1 ZINC001139769695 796424322 /nfs/dbraw/zinc/42/43/22/796424322.db2.gz NSRPJISNPFJREG-IRXDYDNUSA-N 0 3 305.422 2.087 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](O)[C@H](C)c1ccccc1F ZINC001139869305 796439420 /nfs/dbraw/zinc/43/94/20/796439420.db2.gz FCVZPOPNPRGBES-PBHICJAKSA-N 0 3 322.424 2.256 20 30 DEEDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]21 ZINC001140116169 796478937 /nfs/dbraw/zinc/47/89/37/796478937.db2.gz UBNVHKQBESKQOI-QLPKVWCKSA-N 0 3 309.369 2.280 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCc2c[nH]cn2)C12CCC2 ZINC001203011878 796490911 /nfs/dbraw/zinc/49/09/11/796490911.db2.gz CARUOJTYPLRNHC-ZIAGYGMSSA-N 0 3 322.840 2.112 20 30 DEEDHN COC[C@H]1COCCC12CCN(Cc1ccc(C#N)nc1)CC2 ZINC001140543732 796537779 /nfs/dbraw/zinc/53/77/79/796537779.db2.gz SMFVJAKXUKNDRO-INIZCTEOSA-N 0 3 315.417 2.218 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c(Cl)cccc2OC)C1 ZINC001188106720 796627787 /nfs/dbraw/zinc/62/77/87/796627787.db2.gz SIJSYFKUVNUUMZ-GFCCVEGCSA-N 0 3 306.793 2.176 20 30 DEEDHN N#Cc1c(N)sc(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1Cl ZINC001141114394 796635434 /nfs/dbraw/zinc/63/54/34/796635434.db2.gz NCDJRUCGEZBKIS-CKIJPRSSSA-N 0 3 309.822 2.465 20 30 DEEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)cc(O)c1OC ZINC001141169866 796644734 /nfs/dbraw/zinc/64/47/34/796644734.db2.gz XTDLLMVNEXWCNI-CQSZACIVSA-N 0 3 321.398 2.184 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001188310297 796656117 /nfs/dbraw/zinc/65/61/17/796656117.db2.gz RZIHMLWQTNQBNL-GXTWGEPZSA-N 0 3 323.824 2.017 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001188651587 796696691 /nfs/dbraw/zinc/69/66/91/796696691.db2.gz IMAPDFLLUAXJAV-AWEZNQCLSA-N 0 3 308.447 2.405 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001188855982 796734829 /nfs/dbraw/zinc/73/48/29/796734829.db2.gz LDHKWUZTCWLMST-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1cccn3ccnc13)CC2 ZINC001142952541 796788535 /nfs/dbraw/zinc/78/85/35/796788535.db2.gz WLBLAMUSFPLIFQ-UHFFFAOYSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COCc3ccccc3C)[C@@H]2C1 ZINC001189359214 796819366 /nfs/dbraw/zinc/81/93/66/796819366.db2.gz KUZIDIFDRQYTCJ-FUHWJXTLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)CC(F)F)C1 ZINC001149998327 796911245 /nfs/dbraw/zinc/91/12/45/796911245.db2.gz FQZCHXVVARHXKX-CHWSQXEVSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001150012308 796913783 /nfs/dbraw/zinc/91/37/83/796913783.db2.gz IHYHXWSDLKJMML-ULQDDVLXSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150141263 796923018 /nfs/dbraw/zinc/92/30/18/796923018.db2.gz ZAWFHUBZJHIVJE-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN CN(CCOC1CCC1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190085379 796935554 /nfs/dbraw/zinc/93/55/54/796935554.db2.gz XXZIRWOZSRZYIT-HNNXBMFYSA-N 0 3 306.450 2.138 20 30 DEEDHN CN(CCOCC1CCC1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084464 796935964 /nfs/dbraw/zinc/93/59/64/796935964.db2.gz NSWWWZFVTCFOIB-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN CN(C[C@@H]1CC(C)(C)CO1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084415 796935994 /nfs/dbraw/zinc/93/59/94/796935994.db2.gz MWSHFGJUZYTPFM-HOTGVXAUSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001150357460 796937724 /nfs/dbraw/zinc/93/77/24/796937724.db2.gz QAFCRBKTTBVJLD-LBPRGKRZSA-N 0 3 320.355 2.112 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCc2cccs2)cc1 ZINC001150577443 796955394 /nfs/dbraw/zinc/95/53/94/796955394.db2.gz MSBBOYACKDCXNJ-UHFFFAOYSA-N 0 3 313.426 2.458 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccccc2F)C1 ZINC001150663565 796966058 /nfs/dbraw/zinc/96/60/58/796966058.db2.gz LVTUAYKTYJLKHS-MRXNPFEDSA-N 0 3 320.408 2.151 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CSC(C)C)CC1 ZINC001150965158 796995480 /nfs/dbraw/zinc/99/54/80/796995480.db2.gz TWJCGJCYJUQYAZ-UHFFFAOYSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2cccc(F)c2)C1 ZINC001190502190 797013196 /nfs/dbraw/zinc/01/31/96/797013196.db2.gz QLJFPPIYIVIGRM-OAHLLOKOSA-N 0 3 306.381 2.313 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@@H](C)OC ZINC001152320308 797171740 /nfs/dbraw/zinc/17/17/40/797171740.db2.gz RPTLKFZDTAVXFO-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCNCc1ccc(Cl)s1 ZINC001153135222 797290477 /nfs/dbraw/zinc/29/04/77/797290477.db2.gz NYUPNRRJLHBXLH-SNVBAGLBSA-N 0 3 302.827 2.198 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cnccc2C)C1 ZINC001192012137 797304425 /nfs/dbraw/zinc/30/44/25/797304425.db2.gz GXXXECZCVFZFIM-IAGOWNOFSA-N 0 3 319.449 2.135 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC001192102495 797318396 /nfs/dbraw/zinc/31/83/96/797318396.db2.gz SSVPVCNNLIORIQ-OAHLLOKOSA-N 0 3 306.381 2.313 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCOC[C@H]2CCCO2)C1 ZINC001192094551 797324546 /nfs/dbraw/zinc/32/45/46/797324546.db2.gz VAQFPQMKNRIXIM-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001192163312 797329407 /nfs/dbraw/zinc/32/94/07/797329407.db2.gz VDXZFEBAASUONQ-CZUORRHYSA-N 0 3 318.408 2.403 20 30 DEEDHN C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001153549455 797351856 /nfs/dbraw/zinc/35/18/56/797351856.db2.gz UVYIAEBLQAIOJB-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001153549455 797351863 /nfs/dbraw/zinc/35/18/63/797351863.db2.gz UVYIAEBLQAIOJB-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001192321127 797361122 /nfs/dbraw/zinc/36/11/22/797361122.db2.gz QSCGPSIRWRRBER-QZTJIDSGSA-N 0 3 318.461 2.232 20 30 DEEDHN CC[C@H](CC(F)F)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001153783465 797393218 /nfs/dbraw/zinc/39/32/18/797393218.db2.gz IFZBEMUJRUIIJL-ZIAGYGMSSA-N 0 3 318.408 2.144 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cncc2ccccc21 ZINC001153879275 797416811 /nfs/dbraw/zinc/41/68/11/797416811.db2.gz DDGDLHDLBWKSSD-OAHLLOKOSA-N 0 3 309.413 2.237 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152046884 797429298 /nfs/dbraw/zinc/42/92/98/797429298.db2.gz DEUXLODXTDDFRT-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001154225639 797489842 /nfs/dbraw/zinc/48/98/42/797489842.db2.gz WEKRFEVKKFZKHD-WBMJQRKESA-N 0 3 320.820 2.103 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1scnc1C(F)F ZINC001154278774 797502932 /nfs/dbraw/zinc/50/29/32/797502932.db2.gz MHTLIGULQZRKJU-SECBINFHSA-N 0 3 301.362 2.154 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(OC)cc2)C1 ZINC001193651745 797603752 /nfs/dbraw/zinc/60/37/52/797603752.db2.gz LLVRVZXDARRIMK-INIZCTEOSA-N 0 3 318.417 2.044 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCc2cccnc21 ZINC001154784777 797609732 /nfs/dbraw/zinc/60/97/32/797609732.db2.gz LBXXRXFCYUVTEO-WBVHZDCISA-N 0 3 313.445 2.351 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC001193816845 797630700 /nfs/dbraw/zinc/63/07/00/797630700.db2.gz YNESKFRFAANZMN-MRXNPFEDSA-N 0 3 320.408 2.104 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)OCC(C)C)CC1 ZINC001193831538 797632373 /nfs/dbraw/zinc/63/23/73/797632373.db2.gz LQQFCOLCGVINHU-UHFFFAOYSA-N 0 3 309.454 2.071 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCOCc1ccccc1 ZINC001154928335 797641075 /nfs/dbraw/zinc/64/10/75/797641075.db2.gz YEFDPXISLXQGEM-QGZVFWFLSA-N 0 3 316.445 2.443 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@@H](N(C)CCOC)C1)c1ccccc1 ZINC001194183114 797688782 /nfs/dbraw/zinc/68/87/82/797688782.db2.gz JZVXOEBOAPOTLS-SJORKVTESA-N 0 3 302.418 2.135 20 30 DEEDHN CCN1CCCC[C@@H]1c1ccc(N2CCO[C@H](C#N)C2)nc1 ZINC001155342195 797737927 /nfs/dbraw/zinc/73/79/27/797737927.db2.gz QKXZNGACFQLMGA-HZPDHXFCSA-N 0 3 300.406 2.357 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCc1oc(CC)nc1C ZINC001155446077 797758669 /nfs/dbraw/zinc/75/86/69/797758669.db2.gz GQUVBPMYRFUAJW-CQSZACIVSA-N 0 3 323.437 2.123 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)OC[C@@H](C)CC)CC1 ZINC001194796654 797775455 /nfs/dbraw/zinc/77/54/55/797775455.db2.gz STUNSAVTIHASNE-KRWDZBQOSA-N 0 3 323.481 2.461 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccc(C)c(C)c1 ZINC001155579498 797795513 /nfs/dbraw/zinc/79/55/13/797795513.db2.gz CUWRQGWKVZDQLP-UHFFFAOYSA-N 0 3 317.433 2.304 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001195262034 797861271 /nfs/dbraw/zinc/86/12/71/797861271.db2.gz IFNUSQQFTIUCFL-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCOCC(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001195314602 797878725 /nfs/dbraw/zinc/87/87/25/797878725.db2.gz OHMVILRTHTYZSL-UHFFFAOYSA-N 0 3 316.445 2.274 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(F)(F)F)C1 ZINC001195401552 797893006 /nfs/dbraw/zinc/89/30/06/797893006.db2.gz YNTUUZNXNOVKIK-YNEHKIRRSA-N 0 3 322.371 2.093 20 30 DEEDHN CCCCOCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155987574 797900006 /nfs/dbraw/zinc/90/00/06/797900006.db2.gz TXTMZMLITNTENN-UHFFFAOYSA-N 0 3 321.396 2.110 20 30 DEEDHN Cc1ccncc1C(=O)NCCCNCc1ccccc1C#N ZINC001156101034 797925340 /nfs/dbraw/zinc/92/53/40/797925340.db2.gz KZWOYJAWWHNXEG-UHFFFAOYSA-N 0 3 308.385 2.171 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CCC(F)(F)F ZINC001156137483 797931847 /nfs/dbraw/zinc/93/18/47/797931847.db2.gz DFRVZVTTWRSJCZ-UHFFFAOYSA-N 0 3 317.149 2.333 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195652710 797940003 /nfs/dbraw/zinc/94/00/03/797940003.db2.gz UVCHMMMATKMOGZ-SFHVURJKSA-N 0 3 306.450 2.348 20 30 DEEDHN CO[C@H](CN1CCCN(C(=O)C#CC(C)(C)C)CC1)C1CCC1 ZINC001195785764 797962078 /nfs/dbraw/zinc/96/20/78/797962078.db2.gz UISLZBCKWOQUFT-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncoc1C(C)(C)C ZINC001156277736 797963447 /nfs/dbraw/zinc/96/34/47/797963447.db2.gz XXVUWZPURXBYNF-CYBMUJFWSA-N 0 3 305.422 2.436 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCCN(CCC[C@H](C)O)CC1 ZINC001195966422 797985877 /nfs/dbraw/zinc/98/58/77/797985877.db2.gz CZMWYTMDBNDVCB-INIZCTEOSA-N 0 3 308.466 2.450 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](OC)c1ccccc1 ZINC001156471088 798007837 /nfs/dbraw/zinc/00/78/37/798007837.db2.gz SVHAIORUCHGMQM-NVXWUHKLSA-N 0 3 302.418 2.224 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=S)Nc3ccccc3C#N)C[C@@H]21 ZINC001196314203 798033284 /nfs/dbraw/zinc/03/32/84/798033284.db2.gz TZHAKOBGFSKUGI-HIFRSBDPSA-N 0 3 300.431 2.281 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001196590938 798081742 /nfs/dbraw/zinc/08/17/42/798081742.db2.gz UIUGCFXKUOCVTO-USXIJHARSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC1(C(=O)N2CCCN(CCCF)CC2)CCOCC1 ZINC001197995038 798270579 /nfs/dbraw/zinc/27/05/79/798270579.db2.gz IMAVXFSBEAKYHP-UHFFFAOYSA-N 0 3 312.429 2.253 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001198047315 798270727 /nfs/dbraw/zinc/27/07/27/798270727.db2.gz KCWYNQKJYZFZRG-APHBMKBZSA-N 0 3 322.836 2.470 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001157939509 798308826 /nfs/dbraw/zinc/30/88/26/798308826.db2.gz DVEUBPRVYISDNO-QGZVFWFLSA-N 0 3 306.450 2.161 20 30 DEEDHN C=CCCOCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001198337751 798318375 /nfs/dbraw/zinc/31/83/75/798318375.db2.gz SEACSPSIEXJQOS-UHFFFAOYSA-N 0 3 322.474 2.418 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001198409403 798330817 /nfs/dbraw/zinc/33/08/17/798330817.db2.gz RYKYFFGYKQKVAH-KZNAEPCWSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001198466495 798339134 /nfs/dbraw/zinc/33/91/34/798339134.db2.gz QACMHMUIAROVTC-IAGOWNOFSA-N 0 3 316.445 2.092 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cn(C)nc1CC ZINC001158107450 798344158 /nfs/dbraw/zinc/34/41/58/798344158.db2.gz POPJEMCGDJLDAD-CQSZACIVSA-N 0 3 304.438 2.095 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1coc(OCC)n1 ZINC001158186785 798356148 /nfs/dbraw/zinc/35/61/48/798356148.db2.gz XSLPFKWFYZXBSS-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC001158195107 798358305 /nfs/dbraw/zinc/35/83/05/798358305.db2.gz QQLAKJXCETZTMI-SJLPKXTDSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001158217239 798361909 /nfs/dbraw/zinc/36/19/09/798361909.db2.gz IVMRKVCETIBJRJ-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1conc1C ZINC001158426877 798405952 /nfs/dbraw/zinc/40/59/52/798405952.db2.gz QIYMPOLZPRQAMR-OAHLLOKOSA-N 0 3 321.421 2.112 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001199002481 798428419 /nfs/dbraw/zinc/42/84/19/798428419.db2.gz VNFKWTNEQXZAQZ-UKRRQHHQSA-N 0 3 306.406 2.053 20 30 DEEDHN N#Cc1cc2nc(N3CCCc4ccc(CN)nc43)ccc2[nH]1 ZINC001158652248 798444934 /nfs/dbraw/zinc/44/49/34/798444934.db2.gz KWNKWMRQPMFMAE-UHFFFAOYSA-N 0 3 304.357 2.373 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c[nH]nc1C1CC1 ZINC001158680132 798449682 /nfs/dbraw/zinc/44/96/82/798449682.db2.gz OODKZTDAZORCFG-CQSZACIVSA-N 0 3 302.422 2.400 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(Cl)cnn1CC ZINC001158798034 798470797 /nfs/dbraw/zinc/47/07/97/798470797.db2.gz KPHOSZYDAIHASO-UHFFFAOYSA-N 0 3 305.209 2.018 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)C1C=CC=CC=C1 ZINC001159026134 798508492 /nfs/dbraw/zinc/50/84/92/798508492.db2.gz ATOVRBZRVHRILH-UHFFFAOYSA-N 0 3 307.397 2.453 20 30 DEEDHN C[C@@H](Nc1nc(-c2cccs2)ccc1C#N)[C@@H]1CNCCO1 ZINC001159503339 798574641 /nfs/dbraw/zinc/57/46/41/798574641.db2.gz WLAAKYWTCHLLRR-RISCZKNCSA-N 0 3 314.414 2.471 20 30 DEEDHN N#C[C@@H](NC(=S)NCCN1CCCCC1)c1ccc(F)cc1 ZINC001200443430 798629922 /nfs/dbraw/zinc/62/99/22/798629922.db2.gz XGMYZBIKGGALFW-OAHLLOKOSA-N 0 3 320.437 2.340 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160145313 798654761 /nfs/dbraw/zinc/65/47/61/798654761.db2.gz QZJYQQBDGYUHLX-LBBJYAOWSA-N 0 3 315.830 2.214 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CCC[C@@H](C)CCC)CCCO1 ZINC001200605384 798661326 /nfs/dbraw/zinc/66/13/26/798661326.db2.gz JOUUFCZGKUSUKA-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)C(CC)CC)CCCO1 ZINC001200851831 798686974 /nfs/dbraw/zinc/68/69/74/798686974.db2.gz RHKKZNIMKOAEHO-DOTOQJQBSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2c(C)oc(C)c2C)CCCO1 ZINC001200921600 798693522 /nfs/dbraw/zinc/69/35/22/798693522.db2.gz WTOYOQOYDQBNIX-MRXNPFEDSA-N 0 3 318.417 2.049 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnn(C)c2CCC)CC1 ZINC001160593208 798710523 /nfs/dbraw/zinc/71/05/23/798710523.db2.gz LUBIPPOOOFCFBE-UHFFFAOYSA-N 0 3 316.449 2.311 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cncc3[nH]ccc32)CC1 ZINC001160600084 798711318 /nfs/dbraw/zinc/71/13/18/798711318.db2.gz IZRMROHIGDGJBA-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)c(F)cc1C(N)=O ZINC001160952871 798769218 /nfs/dbraw/zinc/76/92/18/798769218.db2.gz GHZXUUBKJOUWAO-VIFPVBQESA-N 0 3 312.776 2.035 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001161063293 798790227 /nfs/dbraw/zinc/79/02/27/798790227.db2.gz UCMSNBSGFMUYGH-IBGZPJMESA-N 0 3 308.425 2.488 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc3ccccc3c2)CCCO1 ZINC001201937338 798808806 /nfs/dbraw/zinc/80/88/06/798808806.db2.gz MUGGVABDDWWZQX-IBGZPJMESA-N 0 3 322.408 2.294 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@@H](CC)C(C)C)CCCO1 ZINC001201909207 798810652 /nfs/dbraw/zinc/81/06/52/798810652.db2.gz TZVHGDMXGCUWAF-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN N#Cc1cnc(NCC2CCN(Cc3ccccn3)CC2)cn1 ZINC001161241177 798815873 /nfs/dbraw/zinc/81/58/73/798815873.db2.gz XPWIQEKGGTUBQS-UHFFFAOYSA-N 0 3 308.389 2.067 20 30 DEEDHN CC#CCCCC(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC001202100946 798826459 /nfs/dbraw/zinc/82/64/59/798826459.db2.gz DZLRVFKBJKCHAM-UHFFFAOYSA-N 0 3 316.449 2.177 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC001202091785 798826561 /nfs/dbraw/zinc/82/65/61/798826561.db2.gz AHKWTNISJBAGHB-CABCVRRESA-N 0 3 318.465 2.442 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2(CC)CCCCC2)CCCO1 ZINC001202123308 798829433 /nfs/dbraw/zinc/82/94/33/798829433.db2.gz CNIHBLVCUXNCMF-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001202122623 798829494 /nfs/dbraw/zinc/82/94/94/798829494.db2.gz FAUHXWXUKMUFML-AWEZNQCLSA-N 0 3 316.449 2.468 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001202304599 798861463 /nfs/dbraw/zinc/86/14/63/798861463.db2.gz FMNOEMVXYLIHRT-JTQLQIEISA-N 0 3 315.251 2.282 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(OC)c(F)c1 ZINC001162017953 798994950 /nfs/dbraw/zinc/99/49/50/798994950.db2.gz BUIFYDHGGPEHJM-UHFFFAOYSA-N 0 3 314.788 2.225 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114329489 799052959 /nfs/dbraw/zinc/05/29/59/799052959.db2.gz XTTOMDDUKBNBEY-QLPKVWCKSA-N 0 3 308.466 2.452 20 30 DEEDHN CCOC(=O)c1cc(C)nc(N[C@]2(C)CCCN(C)C2)c1C#N ZINC001162341368 799066547 /nfs/dbraw/zinc/06/65/47/799066547.db2.gz LOTLWKZAFUFKRJ-QGZVFWFLSA-N 0 3 316.405 2.335 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@]12CCO[C@H]1CCCC2 ZINC001162342041 799066995 /nfs/dbraw/zinc/06/69/95/799066995.db2.gz VOAIOCMNPSNZFK-DZGCQCFKSA-N 0 3 300.830 2.184 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOc1cc(C)cc(C)c1 ZINC001114373269 799072303 /nfs/dbraw/zinc/07/23/03/799072303.db2.gz DEELLVPONYYSFP-DZFIZOCASA-N 0 3 314.429 2.305 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCc1nc(C)cs1 ZINC001162611909 799130794 /nfs/dbraw/zinc/13/07/94/799130794.db2.gz USBCLDRKNVQGOF-UHFFFAOYSA-N 0 3 301.843 2.233 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)C2CC2)(COC)CC1 ZINC001162617276 799131591 /nfs/dbraw/zinc/13/15/91/799131591.db2.gz DQRYGLVWBWQIBX-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CC(C)(C)COC ZINC001163152671 799262582 /nfs/dbraw/zinc/26/25/82/799262582.db2.gz CQPFJTWSZJTVGN-UHFFFAOYSA-N 0 3 321.259 2.054 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C12CCC2 ZINC001202617034 799289468 /nfs/dbraw/zinc/28/94/68/799289468.db2.gz KCEMQSDKPDGBTL-CVEARBPZSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCCNCc1conc1CC ZINC001163344555 799316642 /nfs/dbraw/zinc/31/66/42/799316642.db2.gz KASTWIDWHURJLI-KRWDZBQOSA-N 0 3 323.437 2.062 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCNCc2ccc(F)cn2)cc1 ZINC001163734574 799419892 /nfs/dbraw/zinc/41/98/92/799419892.db2.gz RVZJWGHKJIWJII-UHFFFAOYSA-N 0 3 311.360 2.112 20 30 DEEDHN C=CCCC(=O)NCCC1(CNCc2cc(OC)ns2)CC1 ZINC001163766784 799427130 /nfs/dbraw/zinc/42/71/30/799427130.db2.gz BYDPPNLKVHFJRE-UHFFFAOYSA-N 0 3 323.462 2.494 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001163982064 799471868 /nfs/dbraw/zinc/47/18/68/799471868.db2.gz NBZGGWLZBHCYLL-UHFFFAOYSA-N 0 3 306.797 2.129 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(F)F)C2 ZINC001110830389 799489105 /nfs/dbraw/zinc/48/91/05/799489105.db2.gz DDGDAZLKOSKAEL-SYQHCUMBSA-N 0 3 316.392 2.202 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001154492246 799524860 /nfs/dbraw/zinc/52/48/60/799524860.db2.gz IPFGPLKEUQJRMZ-WBVHZDCISA-N 0 3 308.466 2.432 20 30 DEEDHN N#Cc1c(Cl)nccc1C(F)(F)n1cnc2c1CNCC2 ZINC001164309840 799567675 /nfs/dbraw/zinc/56/76/75/799567675.db2.gz FICDMQFFPIPAHS-UHFFFAOYSA-N 0 3 309.707 2.046 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(OC)c1)C2 ZINC001095716993 799707378 /nfs/dbraw/zinc/70/73/78/799707378.db2.gz MRMSIRSAVAIUMI-IKGGRYGDSA-N 0 3 312.413 2.362 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCOCC1)C2 ZINC001095727596 799714772 /nfs/dbraw/zinc/71/47/72/799714772.db2.gz HXAONGWDUSREMR-IKGGRYGDSA-N 0 3 318.461 2.184 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1ccc(C)n1)C2 ZINC001110892039 799717748 /nfs/dbraw/zinc/71/77/48/799717748.db2.gz KBHRKPGYUNAFQC-HZMVEIRTSA-N 0 3 316.449 2.440 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C2CC(OC)C2)CC1 ZINC001165656201 799756196 /nfs/dbraw/zinc/75/61/96/799756196.db2.gz MVFUAFYVJGBCEH-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H]1C[C@@H]1CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001165886941 799786892 /nfs/dbraw/zinc/78/68/92/799786892.db2.gz OLWDVEPGUYAQDA-IUODEOHRSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2cnc(C)cn2)CC1 ZINC001165921964 799795586 /nfs/dbraw/zinc/79/55/86/799795586.db2.gz WUGIXGGJDGURAT-UHFFFAOYSA-N 0 3 302.422 2.127 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)CCC1 ZINC001110987469 799812855 /nfs/dbraw/zinc/81/28/55/799812855.db2.gz QUPNNPQJMRUBJD-FPCVCCKLSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C(C)(C)C(F)F ZINC001166231229 799848361 /nfs/dbraw/zinc/84/83/61/799848361.db2.gz ZRERWIDTQYBGNK-UHFFFAOYSA-N 0 3 313.186 2.282 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1(C(C)C)CC1 ZINC001166262465 799851348 /nfs/dbraw/zinc/85/13/48/799851348.db2.gz DUFKWLIHMHZEFN-UHFFFAOYSA-N 0 3 303.244 2.427 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ocnc1C1CC1 ZINC001166599388 799896916 /nfs/dbraw/zinc/89/69/16/799896916.db2.gz KVFFDTGPAZBQGF-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN C=CCn1ncc2ccc(NC(=O)N[C@H]3CCCN(C)C3)cc21 ZINC000933061739 800003696 /nfs/dbraw/zinc/00/36/96/800003696.db2.gz BXCUFIWYDLKEDO-HNNXBMFYSA-N 0 3 313.405 2.438 20 30 DEEDHN COc1ccc(OC)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001203520213 800068565 /nfs/dbraw/zinc/06/85/65/800068565.db2.gz KHYAAXNGHXMANE-HNNXBMFYSA-N 0 3 305.399 2.478 20 30 DEEDHN O=C1C=COC2(CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)C1 ZINC000933647460 800147731 /nfs/dbraw/zinc/14/77/31/800147731.db2.gz GTYFRYORXVWIHR-QGZVFWFLSA-N 0 3 319.376 2.067 20 30 DEEDHN C=CCCOCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001204022636 800161254 /nfs/dbraw/zinc/16/12/54/800161254.db2.gz SSLPMKVHSFQELP-XFXZXTDPSA-N 0 3 321.248 2.479 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CNCc2cnc(C)cn2)CC1 ZINC001205407225 800353790 /nfs/dbraw/zinc/35/37/90/800353790.db2.gz BOXZMBDLCADGTH-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000934641331 800406286 /nfs/dbraw/zinc/40/62/86/800406286.db2.gz CVUMMMIPXWICTR-ZDUSSCGKSA-N 0 3 303.406 2.401 20 30 DEEDHN CCO[C@H](C)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207460927 800757499 /nfs/dbraw/zinc/75/74/99/800757499.db2.gz CMAGTOTWSBRFHF-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207460924 800757916 /nfs/dbraw/zinc/75/79/16/800757916.db2.gz CMAGTOTWSBRFHF-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001207680466 800805123 /nfs/dbraw/zinc/80/51/23/800805123.db2.gz OEPRUTIIHDSGDA-NSHDSACASA-N 0 3 307.221 2.089 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COC/C=C\c2ccccc2)C1 ZINC001207686691 800806456 /nfs/dbraw/zinc/80/64/56/800806456.db2.gz KSGFBHIEGKGGGY-MVKGYNNESA-N 0 3 314.429 2.339 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H](NC[C@@H](F)CC)C1 ZINC001207758753 800824609 /nfs/dbraw/zinc/82/46/09/800824609.db2.gz GMMDGWNJNKRBEX-GJZGRUSLSA-N 0 3 300.418 2.298 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(cn1)CCCC3)C2 ZINC001095729297 800863622 /nfs/dbraw/zinc/86/36/22/800863622.db2.gz WGUDUEQKHQPVEE-AOIWGVFYSA-N 0 3 323.440 2.319 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCCOC1)C2 ZINC001111201695 800871626 /nfs/dbraw/zinc/87/16/26/800871626.db2.gz OBJOFSQCRMOIBH-VQHPVUNQSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001208262028 800943900 /nfs/dbraw/zinc/94/39/00/800943900.db2.gz WXYFZNMKGWVSMG-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN Cc1cc(N2CCN(CCCc3cccc(C#N)c3)CC2)ncn1 ZINC001208854400 801080479 /nfs/dbraw/zinc/08/04/79/801080479.db2.gz NUQKOPHFQFHITN-UHFFFAOYSA-N 0 3 321.428 2.412 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001208961793 801102820 /nfs/dbraw/zinc/10/28/20/801102820.db2.gz KHZGFEGPRPPCCQ-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001208962824 801103196 /nfs/dbraw/zinc/10/31/96/801103196.db2.gz QGNKUKHMQTZDCP-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOC[C@H]1CCC[C@@]12CN(CCCOCOC)CCO2 ZINC001209026765 801113856 /nfs/dbraw/zinc/11/38/56/801113856.db2.gz MTXYVTHHMCOOPW-IAGOWNOFSA-N 0 3 313.438 2.071 20 30 DEEDHN C=CCCCN1CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209158983 801139315 /nfs/dbraw/zinc/13/93/15/801139315.db2.gz XXYLLFAWCLGPTG-OAHLLOKOSA-N 0 3 309.454 2.190 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001209185825 801145535 /nfs/dbraw/zinc/14/55/35/801145535.db2.gz XNFDPTHZLCSJQO-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC001209334485 801172475 /nfs/dbraw/zinc/17/24/75/801172475.db2.gz DAVFTXLXIGDWEG-INIZCTEOSA-N 0 3 304.438 2.165 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)CCC1 ZINC001209502802 801201459 /nfs/dbraw/zinc/20/14/59/801201459.db2.gz AKQUXXYLJDKCDP-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3c[nH]nc3C)C2)C1 ZINC001209554962 801215752 /nfs/dbraw/zinc/21/57/52/801215752.db2.gz RLIILWSOZBIOOK-KRWDZBQOSA-N 0 3 318.421 2.329 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c(C)cccc3C#N)C[C@H]1N2C ZINC001229182765 801237405 /nfs/dbraw/zinc/23/74/05/801237405.db2.gz LULIONNCKBNXQV-NXOAAHMSSA-N 0 3 314.385 2.412 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC2CCOCC2)C1 ZINC001209945760 801311053 /nfs/dbraw/zinc/31/10/53/801311053.db2.gz VRRSCHSTSRFALZ-NVXWUHKLSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001230000886 801346580 /nfs/dbraw/zinc/34/65/80/801346580.db2.gz ZUVUBTJMINWMPM-UHFFFAOYSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CCc2ccccc2)CC1 ZINC001230121812 801364146 /nfs/dbraw/zinc/36/41/46/801364146.db2.gz WTKAHBSLZQQFRU-UHFFFAOYSA-N 0 3 316.445 2.402 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001210356707 801381216 /nfs/dbraw/zinc/38/12/16/801381216.db2.gz OSBNYXJBHWNXSQ-SOLBZPMBSA-N 0 3 316.445 2.429 20 30 DEEDHN C=C[C@H](C(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC001230331886 801388329 /nfs/dbraw/zinc/38/83/29/801388329.db2.gz ILRIDKCCVSAKIA-KRWDZBQOSA-N 0 3 302.418 2.183 20 30 DEEDHN CC#CCN[C@@H]1CCCN(C(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001210697602 801447976 /nfs/dbraw/zinc/44/79/76/801447976.db2.gz GIIRQGLFQOXXOS-OAHLLOKOSA-N 0 3 324.380 2.011 20 30 DEEDHN C=C(C)CN(CCCNC(=O)c1ccon1)Cc1cccnc1 ZINC001230696024 801466110 /nfs/dbraw/zinc/46/61/10/801466110.db2.gz OZKWNFXEWOCSQZ-UHFFFAOYSA-N 0 3 314.389 2.268 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001210853281 801475054 /nfs/dbraw/zinc/47/50/54/801475054.db2.gz MJVAOPKNMVQKJK-SOLBZPMBSA-N 0 3 314.429 2.222 20 30 DEEDHN CN(C[C@@H]1CCN1CC1CC(C)(C)C1)C(=O)CSCC#N ZINC001230814572 801500416 /nfs/dbraw/zinc/50/04/16/801500416.db2.gz DLXOTLATQXCPPP-AWEZNQCLSA-N 0 3 309.479 2.212 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001211155812 801519558 /nfs/dbraw/zinc/51/95/58/801519558.db2.gz BDWRYIQSLWBGDD-NXHRZFHOSA-N 0 3 316.445 2.257 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H](OC)C1 ZINC001213400102 801604556 /nfs/dbraw/zinc/60/45/56/801604556.db2.gz ZXINXOHXZCZOAE-CHWSQXEVSA-N 0 3 311.813 2.063 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)c2ccco2)[C@H](OC)C1 ZINC001213736997 801639077 /nfs/dbraw/zinc/63/90/77/801639077.db2.gz HKISFSUVFKLFIH-SQWLQELKSA-N 0 3 306.406 2.165 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213961734 801658712 /nfs/dbraw/zinc/65/87/12/801658712.db2.gz OWTTWYVDCKHEBY-LYHUAREISA-N 0 3 324.465 2.139 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2[nH]cnc2C)[C@H](OC)C1 ZINC001213997346 801661849 /nfs/dbraw/zinc/66/18/49/801661849.db2.gz OSUSUPKBCWVLDI-HUUCEWRRSA-N 0 3 322.453 2.118 20 30 DEEDHN C#Cc1cccc(CN2CCC(NC(=O)c3cccnc3)CC2)c1 ZINC001231662822 801706506 /nfs/dbraw/zinc/70/65/06/801706506.db2.gz HDDDLYDWMMYWPO-UHFFFAOYSA-N 0 3 319.408 2.457 20 30 DEEDHN Cc1ncc(CN[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)s1 ZINC001214589959 801737073 /nfs/dbraw/zinc/73/70/73/801737073.db2.gz VPIGTYQTYLCHSE-IUODEOHRSA-N 0 3 319.474 2.438 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001214741581 801755785 /nfs/dbraw/zinc/75/57/85/801755785.db2.gz RLGMOVVEHRQBCQ-CZUORRHYSA-N 0 3 304.438 2.021 20 30 DEEDHN N#Cc1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001215192266 801819289 /nfs/dbraw/zinc/81/92/89/801819289.db2.gz DFQYBYVASUEFBE-UHFFFAOYSA-N 0 3 303.325 2.316 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001215338296 801839583 /nfs/dbraw/zinc/83/95/83/801839583.db2.gz ZIVJVRWEYNEYLM-MLGOLLRUSA-N 0 3 321.371 2.384 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001215377071 801850572 /nfs/dbraw/zinc/85/05/72/801850572.db2.gz ZAACWQDWGAQMQQ-FRFSOERESA-N 0 3 316.449 2.324 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001215376663 801851508 /nfs/dbraw/zinc/85/15/08/801851508.db2.gz QBJLMXOQJHLJTH-UKPHBRMFSA-N 0 3 318.465 2.267 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(N)nc1C)C2 ZINC001232345154 801853760 /nfs/dbraw/zinc/85/37/60/801853760.db2.gz ZXMMYUMBBCEQJQ-SJLPKXTDSA-N 0 3 317.433 2.298 20 30 DEEDHN CN(C)C(=O)CCN(C)Cc1ccc(Br)c(C#N)c1 ZINC001232899678 801980506 /nfs/dbraw/zinc/98/05/06/801980506.db2.gz UAXPRXSUSHIQRU-UHFFFAOYSA-N 0 3 324.222 2.231 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001232923746 801983376 /nfs/dbraw/zinc/98/33/76/801983376.db2.gz HPYAEZFLKWOVKB-RBUKOAKNSA-N 0 3 319.412 2.197 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3[nH]ccc3C)[C@H]2C1 ZINC001217743801 802109829 /nfs/dbraw/zinc/10/98/29/802109829.db2.gz GTJDFAXZXYCXKP-HRCADAONSA-N 0 3 317.433 2.203 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)C3CCC3)[C@H]2C1 ZINC001218154899 802148316 /nfs/dbraw/zinc/14/83/16/802148316.db2.gz UOGMCPWVGXWJON-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)Nc1n[nH]c(C)c1C(=O)OCC ZINC001218512520 802194653 /nfs/dbraw/zinc/19/46/53/802194653.db2.gz LUTVXOOKQCEKOE-LBPRGKRZSA-N 0 3 322.409 2.297 20 30 DEEDHN C[C@H]1CCN[C@@H](C(=O)Nc2ncc(C#N)cc2Br)C1 ZINC001218553112 802203390 /nfs/dbraw/zinc/20/33/90/802203390.db2.gz WEDIVRCEGDHASM-GZMMTYOYSA-N 0 3 323.194 2.042 20 30 DEEDHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)Nc1cccc(CC#N)c1 ZINC001218987038 802270741 /nfs/dbraw/zinc/27/07/41/802270741.db2.gz BBEOCDVVGDGQDD-CQSZACIVSA-N 0 3 317.389 2.140 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1ccn(C)n1 ZINC001234223796 802330745 /nfs/dbraw/zinc/33/07/45/802330745.db2.gz CLKNRHDDTGDDBY-QGZVFWFLSA-N 0 3 320.481 2.466 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CCC ZINC001234246464 802333254 /nfs/dbraw/zinc/33/32/54/802333254.db2.gz OLQHPZGLIBUSEB-ZPUOCTKUSA-N 0 3 306.450 2.305 20 30 DEEDHN CS[C@@H](C)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001234279788 802342251 /nfs/dbraw/zinc/34/22/51/802342251.db2.gz FFMLLPYNJMVFAB-LBPRGKRZSA-N 0 3 323.437 2.387 20 30 DEEDHN CS[C@@H](C)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001234279768 802342788 /nfs/dbraw/zinc/34/27/88/802342788.db2.gz DWPLFZLGPQSERM-LBPRGKRZSA-N 0 3 323.437 2.387 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001219704603 802369891 /nfs/dbraw/zinc/36/98/91/802369891.db2.gz BGLNTXWDOSJICJ-KGLIPLIRSA-N 0 3 308.447 2.106 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@@H](O)C1 ZINC001219715702 802372160 /nfs/dbraw/zinc/37/21/60/802372160.db2.gz JFSPRGVPQOALSP-MSOLQXFVSA-N 0 3 318.461 2.417 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001219715696 802373404 /nfs/dbraw/zinc/37/34/04/802373404.db2.gz JEAWBGRXLOCHTP-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCCCCC)C[C@@H]1O ZINC001219808268 802380093 /nfs/dbraw/zinc/38/00/93/802380093.db2.gz AUUCUHVTKHBFQB-WBVHZDCISA-N 0 3 319.449 2.029 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)[C@@H](O)C1 ZINC001219864260 802384369 /nfs/dbraw/zinc/38/43/69/802384369.db2.gz LQYZGWJRGPWGIL-ZACQAIPSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2cccc(C)c2)[C@@H](O)C1 ZINC001220092259 802409886 /nfs/dbraw/zinc/40/98/86/802409886.db2.gz FLWNHEMDSPPZGA-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCC[C@@H](C)O ZINC001234555872 802414424 /nfs/dbraw/zinc/41/44/24/802414424.db2.gz YVJQDFFQRCAUOO-TZMCWYRMSA-N 0 3 316.873 2.459 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@@H](O)C1 ZINC001220149376 802416310 /nfs/dbraw/zinc/41/63/10/802416310.db2.gz JQAOCRJBWHERHO-SOLBZPMBSA-N 0 3 306.450 2.250 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)C(F)(F)F)[C@@H](O)C1 ZINC001220157921 802417404 /nfs/dbraw/zinc/41/74/04/802417404.db2.gz AKYLXMIWQPEVIX-XQQFMLRXSA-N 0 3 324.387 2.317 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220205468 802426867 /nfs/dbraw/zinc/42/68/67/802426867.db2.gz BCAMXTISVUTINX-TXVACFFHSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(C)cccc2Cl)[C@@H](O)C1 ZINC001220273280 802435666 /nfs/dbraw/zinc/43/56/66/802435666.db2.gz GDGSJSJWNZUXNX-CABCVRRESA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CC/C=C/CC)C[C@@H]2O)CC1 ZINC001220289772 802440104 /nfs/dbraw/zinc/44/01/04/802440104.db2.gz CSZFIVYIWGORRT-KJKYUDHTSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220293909 802440921 /nfs/dbraw/zinc/44/09/21/802440921.db2.gz YXFXFXXZENJPRL-SOLBZPMBSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](O)C1 ZINC001220690031 802487574 /nfs/dbraw/zinc/48/75/74/802487574.db2.gz ZREMBSWMDYQDML-NEPJUHHUSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@@H](O)C1 ZINC001221124663 802530827 /nfs/dbraw/zinc/53/08/27/802530827.db2.gz SCKXSOOSHIEWKF-XHSDSOJGSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCC(=C)C)C[C@@H]2O)CCCCC1 ZINC001221133634 802532571 /nfs/dbraw/zinc/53/25/71/802532571.db2.gz MFOGCNNMTRVPSE-SJORKVTESA-N 0 3 318.461 2.088 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CCN(C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221429165 802571418 /nfs/dbraw/zinc/57/14/18/802571418.db2.gz KSWNFWGDTNWVHU-OWCLPIDISA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221436179 802572488 /nfs/dbraw/zinc/57/24/88/802572488.db2.gz ONHLPQGCZFSBKG-CGTJXYLNSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(C[C@H](C)OC)C[C@H]32)CCC1 ZINC001221798002 802617120 /nfs/dbraw/zinc/61/71/20/802617120.db2.gz RJNCJJQJRJGTJN-ARFHVFGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOCC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001222630405 802718692 /nfs/dbraw/zinc/71/86/92/802718692.db2.gz AAPHNFLJISMPBC-UHFFFAOYSA-N 0 3 320.408 2.357 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223183423 802771895 /nfs/dbraw/zinc/77/18/95/802771895.db2.gz YLWWCDXYQGVFLE-CQSZACIVSA-N 0 3 320.458 2.115 20 30 DEEDHN C#CC1(F)CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001223402188 802787121 /nfs/dbraw/zinc/78/71/21/802787121.db2.gz MKLCYMQWSSEYMK-MRXNPFEDSA-N 0 3 315.392 2.018 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2nc(C)sc2C)CC1 ZINC001223611135 802803996 /nfs/dbraw/zinc/80/39/96/802803996.db2.gz OWZMRZOZXOKQHD-UHFFFAOYSA-N 0 3 319.474 2.154 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@@H](C#N)c3ccccc3)C[C@H]1N2C ZINC001223710586 802810028 /nfs/dbraw/zinc/81/00/28/802810028.db2.gz CMCJDLCGAOYLLO-JCECYMMASA-N 0 3 314.385 2.435 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001223864443 802819948 /nfs/dbraw/zinc/81/99/48/802819948.db2.gz PWQZODNAGHKYRP-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)cc3)C[C@H]1N2C ZINC001225247532 802946378 /nfs/dbraw/zinc/94/63/78/802946378.db2.gz NYOKVWKQQVIPAC-LLLHUVSDSA-N 0 3 300.358 2.104 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001225271477 802949253 /nfs/dbraw/zinc/94/92/53/802949253.db2.gz ULCFEFMMNVOEGE-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001225284468 802951019 /nfs/dbraw/zinc/95/10/19/802951019.db2.gz XAUFUEFJMNIFMP-ZIAGYGMSSA-N 0 3 317.437 2.165 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2ccccc2OC)CC1 ZINC001225348493 802957267 /nfs/dbraw/zinc/95/72/67/802957267.db2.gz DLCIMEDQZPZAOD-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001225631822 802993496 /nfs/dbraw/zinc/99/34/96/802993496.db2.gz RZJUARZUDOTMEZ-UKRRQHHQSA-N 0 3 300.418 2.154 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001226111911 803055204 /nfs/dbraw/zinc/05/52/04/803055204.db2.gz QICCCFQUGHWFPR-IAGOWNOFSA-N 0 3 315.392 2.151 20 30 DEEDHN COCc1cccc(CN2CCC(NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001226618012 803132251 /nfs/dbraw/zinc/13/22/51/803132251.db2.gz VIPRCMZHLBKYLE-AWEZNQCLSA-N 0 3 315.417 2.073 20 30 DEEDHN COc1cc(CN2CCC(NC(=O)[C@@H](C)C#N)CC2)ccc1C ZINC001226639498 803135268 /nfs/dbraw/zinc/13/52/68/803135268.db2.gz DTDHNWQADICJKZ-AWEZNQCLSA-N 0 3 315.417 2.244 20 30 DEEDHN C#CCCCCC(=O)NC1CCN(CCc2ccns2)CC1 ZINC001226961473 803182416 /nfs/dbraw/zinc/18/24/16/803182416.db2.gz DEEKWLXQMSRSHW-UHFFFAOYSA-N 0 3 319.474 2.460 20 30 DEEDHN CC(C)(C)C#CC(=O)NC1CCN(C[C@H]2CCCCO2)CC1 ZINC001227281460 803226929 /nfs/dbraw/zinc/22/69/29/803226929.db2.gz VLJFPMJRIKKGEK-MRXNPFEDSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC(NC(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001227464159 803242644 /nfs/dbraw/zinc/24/26/44/803242644.db2.gz DXYYFLTUJACSPW-HNNXBMFYSA-N 0 3 316.449 2.001 20 30 DEEDHN C[N+](C)(C)C[C@@H](CC#N)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227587599 803255219 /nfs/dbraw/zinc/25/52/19/803255219.db2.gz VKWDMLWVNAGLQB-SNVBAGLBSA-O 0 3 304.292 2.173 20 30 DEEDHN CCOC(=O)C[C@@H](CC#N)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936272 803432933 /nfs/dbraw/zinc/43/29/33/803432933.db2.gz FRCWSXKNOYZRRV-MRXNPFEDSA-N 0 3 302.374 2.289 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(N(C)CC(=O)NCCC)CC1 ZINC001331038786 1149367274 /nfs/dbraw/zinc/36/72/74/1149367274.db2.gz KMOPGOWVOHGBLK-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C/C=C(/C)C(=O)NCCOCCN(C)Cc1cccc(C#N)c1 ZINC001331110141 1149381851 /nfs/dbraw/zinc/38/18/51/1149381851.db2.gz MEGVXVIJUUFAKZ-TVPGTPATSA-N 0 3 315.417 2.089 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)COCc2cccnc2)C(C)(C)C1 ZINC001328097504 1148719730 /nfs/dbraw/zinc/71/97/30/1148719730.db2.gz GANYQOVWOJTVQA-MRXNPFEDSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001335522412 1150441624 /nfs/dbraw/zinc/44/16/24/1150441624.db2.gz LGIPVJSYFXQRNC-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCC(=O)N1CCCCCC1 ZINC001331532934 1149514389 /nfs/dbraw/zinc/51/43/89/1149514389.db2.gz ISXPYQMHRDLKSW-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001370316032 1149526286 /nfs/dbraw/zinc/52/62/86/1149526286.db2.gz CMOSJYITXXFZNF-GJZGRUSLSA-N 0 3 315.889 2.250 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COc1c(C)cc(C)cc1C ZINC001331629142 1149562924 /nfs/dbraw/zinc/56/29/24/1149562924.db2.gz QDYNUDXIJQUQLL-QGZVFWFLSA-N 0 3 316.445 2.450 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001331647665 1149576619 /nfs/dbraw/zinc/57/66/19/1149576619.db2.gz NLKYLHPCMVWUOF-MNNVXMFVSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCOc1cc(C)cc(C)c1 ZINC001327213368 1148399222 /nfs/dbraw/zinc/39/92/22/1148399222.db2.gz QSHVTJHWHOFOKW-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCS[C@@]1(C)Cc1ccccc1 ZINC001574963795 1069310992 /nfs/dbraw/zinc/31/09/92/1069310992.db2.gz XJKSZBQZJLIRFL-RDJZCZTQSA-N 0 3 302.443 2.261 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001345204408 1150873704 /nfs/dbraw/zinc/87/37/04/1150873704.db2.gz CPIJMJNYQMBXTM-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(O)(C(C)C)CC2)CC1 ZINC001346283765 1150964545 /nfs/dbraw/zinc/96/45/45/1150964545.db2.gz MUWWCRKYTUOJMG-UHFFFAOYSA-N 0 3 323.481 2.219 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cn(CC)cn1 ZINC001368923390 1148772571 /nfs/dbraw/zinc/77/25/71/1148772571.db2.gz NARQYCNNXNQCPD-UHFFFAOYSA-N 0 3 312.845 2.343 20 30 DEEDHN C=C(C)[C@H](CO)[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602752586 1069743364 /nfs/dbraw/zinc/74/33/64/1069743364.db2.gz FFMQSDASBNRHNV-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(C)[C@H](CO)[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602752586 1069743372 /nfs/dbraw/zinc/74/33/72/1069743372.db2.gz FFMQSDASBNRHNV-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(C)[C@H](CO)[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602752586 1069743382 /nfs/dbraw/zinc/74/33/82/1069743382.db2.gz FFMQSDASBNRHNV-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(C)[C@H](CO)[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602752586 1069743395 /nfs/dbraw/zinc/74/33/95/1069743395.db2.gz FFMQSDASBNRHNV-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSC(F)F ZINC001524036864 1069797727 /nfs/dbraw/zinc/79/77/27/1069797727.db2.gz DWBODGWDFPKYPF-QMMMGPOBSA-N 0 3 314.313 2.298 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001526081989 1070217727 /nfs/dbraw/zinc/21/77/27/1070217727.db2.gz GWQXNQVTDBWAJQ-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001605283106 1070671065 /nfs/dbraw/zinc/67/10/65/1070671065.db2.gz DTQWGTTUQNIMSE-YPMHNXCESA-N 0 3 312.377 2.047 20 30 DEEDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001605283106 1070671074 /nfs/dbraw/zinc/67/10/74/1070671074.db2.gz DTQWGTTUQNIMSE-YPMHNXCESA-N 0 3 312.377 2.047 20 30 DEEDHN C#CCOCCN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC001529436072 1070957564 /nfs/dbraw/zinc/95/75/64/1070957564.db2.gz IQHNZWLKXPQBKW-UHFFFAOYSA-N 0 3 314.429 2.394 20 30 DEEDHN Cc1ncccc1CN1CCCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001369063621 1148840090 /nfs/dbraw/zinc/84/00/90/1148840090.db2.gz SKNZCTSEMCGZCG-WMLDXEAASA-N 0 3 314.433 2.411 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nnc(C(F)(F)F)s1 ZINC001460030538 1058251749 /nfs/dbraw/zinc/25/17/49/1058251749.db2.gz FZZGVEAIQLFSKG-UHFFFAOYSA-N 0 3 308.373 2.497 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCC(=O)N(C)C(C)C ZINC001499918957 1058376949 /nfs/dbraw/zinc/37/69/49/1058376949.db2.gz KRTJTUCMISUHNM-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001499985671 1058415978 /nfs/dbraw/zinc/41/59/78/1058415978.db2.gz LRGCGHXVVFPGPB-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C(=O)CC[C@H]1CC[C@H](C)O1)C1CCN(CC=C)CC1 ZINC001500058284 1058457565 /nfs/dbraw/zinc/45/75/65/1058457565.db2.gz XFNLZUOUGMZYOW-FUHWJXTLSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)Cc2ccsc2C)C1 ZINC001500263435 1058650233 /nfs/dbraw/zinc/65/02/33/1058650233.db2.gz CKPUQAOJNZRROJ-QGZVFWFLSA-N 0 3 322.474 2.382 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001500293356 1058667575 /nfs/dbraw/zinc/66/75/75/1058667575.db2.gz UMJIIKYBJOCBKX-ACJLOTCBSA-N 0 3 318.465 2.362 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)C2(C)CCC2)CC1 ZINC001500441272 1058785693 /nfs/dbraw/zinc/78/56/93/1058785693.db2.gz CCSPQRXPYKLETI-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@H](CCC)c2ccccc2)C1 ZINC001500759016 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C=CCCN1CCN([C@H]2CCN(C(=O)[C@@H](C)CCC)C2)CC1 ZINC001502100198 1059926368 /nfs/dbraw/zinc/92/63/68/1059926368.db2.gz XXIFZRFTEDLRLU-IRXDYDNUSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001502125897 1059962733 /nfs/dbraw/zinc/96/27/33/1059962733.db2.gz MNXXTFDIEKCYOP-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC001469596030 1059973249 /nfs/dbraw/zinc/97/32/49/1059973249.db2.gz SWLZVXOKTPUDPJ-XHSDSOJGSA-N 0 3 323.481 2.080 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1c(Cl)nc2ccccn21 ZINC001502394850 1060108431 /nfs/dbraw/zinc/10/84/31/1060108431.db2.gz BTQNROKUBFQOGF-UHFFFAOYSA-N 0 3 318.808 2.015 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001502405044 1060113335 /nfs/dbraw/zinc/11/33/35/1060113335.db2.gz QYSRWMNYZVIQFF-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001502405045 1060113965 /nfs/dbraw/zinc/11/39/65/1060113965.db2.gz 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301.415 2.319 20 30 DEEDHN Cc1cccc(CN2CCC[C@H]2CNC(=O)CSCC#N)c1 ZINC001567357557 1064157035 /nfs/dbraw/zinc/15/70/35/1064157035.db2.gz AZKIEUYFEVZTIU-INIZCTEOSA-N 0 3 317.458 2.332 20 30 DEEDHN CCCCOCCN1CCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001567365165 1064161871 /nfs/dbraw/zinc/16/18/71/1064161871.db2.gz OWOXVGAIKNHOEM-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001567388977 1064175162 /nfs/dbraw/zinc/17/51/62/1064175162.db2.gz ICRLBQCYMKBPNC-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1CCN(C)c2ccccc21)C1CC1 ZINC001567442052 1064200208 /nfs/dbraw/zinc/20/02/08/1064200208.db2.gz AUTLKHRWGBMHRE-KRWDZBQOSA-N 0 3 313.445 2.377 20 30 DEEDHN C[C@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)C(F)(F)F ZINC001567544799 1064245477 /nfs/dbraw/zinc/24/54/77/1064245477.db2.gz KWXPTNCIDLDPQG-LLVKDONJSA-N 0 3 313.323 2.305 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@H](CC)Oc1ccccc1C ZINC001567568423 1064257536 /nfs/dbraw/zinc/25/75/36/1064257536.db2.gz 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ZINC001568298615 1064763657 /nfs/dbraw/zinc/76/36/57/1064763657.db2.gz SHHKVKVPCPIDND-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001568357299 1064801578 /nfs/dbraw/zinc/80/15/78/1064801578.db2.gz FTZXHUCDSAUEEF-OCCSQVGLSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1COc2ccccc2C1 ZINC001568489176 1064910159 /nfs/dbraw/zinc/91/01/59/1064910159.db2.gz QXRJKZSFVGGKQB-INIZCTEOSA-N 0 3 302.418 2.204 20 30 DEEDHN CCC[C@H](C)C(=O)NCc1ccc(CNCC#CCOC)cc1 ZINC001495485023 1064938760 /nfs/dbraw/zinc/93/87/60/1064938760.db2.gz GQORJADXIWAXCL-INIZCTEOSA-N 0 3 316.445 2.478 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1ccoc1 ZINC001568607030 1064985049 /nfs/dbraw/zinc/98/50/49/1064985049.db2.gz ZDVLWKMNZVJOLB-JTQLQIEISA-N 0 3 301.184 2.286 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC001568657048 1065025832 /nfs/dbraw/zinc/02/58/32/1065025832.db2.gz VMDMUTAUUOKLSM-JTQLQIEISA-N 0 3 323.780 2.384 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001568671006 1065037129 /nfs/dbraw/zinc/03/71/29/1065037129.db2.gz JHXLDAUPPDZEHM-QWHCGFSZSA-N 0 3 324.856 2.077 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC001568705820 1065065968 /nfs/dbraw/zinc/06/59/68/1065065968.db2.gz KVVICNSIKDLIDO-DOMZBBRYSA-N 0 3 324.808 2.063 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c[nH]nc1-c1cccnc1 ZINC001618814186 1078159066 /nfs/dbraw/zinc/15/90/66/1078159066.db2.gz PGMCUYVSHXJPQH-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001618814368 1078159226 /nfs/dbraw/zinc/15/92/26/1078159226.db2.gz UYILCJPIJJENGZ-UHFFFAOYSA-N 0 3 319.405 2.494 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C#N)cc1OC ZINC001618822734 1078159344 /nfs/dbraw/zinc/15/93/44/1078159344.db2.gz SWUXJFDASOZKEG-UHFFFAOYSA-N 0 3 301.390 2.147 20 30 DEEDHN C=CC(C)(C)CC(=O)N(CC)CCN[C@@H]1CCN(C(C)C)C1=O ZINC001568745171 1065095427 /nfs/dbraw/zinc/09/54/27/1065095427.db2.gz 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/nfs/dbraw/zinc/18/55/49/1065185549.db2.gz BDCYIOBASBZOMB-UHFFFAOYSA-N 0 3 316.449 2.295 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(COCC)CC1)CC2 ZINC001495979656 1065203636 /nfs/dbraw/zinc/20/36/36/1065203636.db2.gz STMHLIWRDLKBJQ-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CNCc2scnc2C)cc1 ZINC001569011737 1065240259 /nfs/dbraw/zinc/24/02/59/1065240259.db2.gz VZZOPNMDUBUQIX-GFCCVEGCSA-N 0 3 313.426 2.341 20 30 DEEDHN CCn1nccc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001496039729 1065244890 /nfs/dbraw/zinc/24/48/90/1065244890.db2.gz ITZUWMDAQDZFRF-INIZCTEOSA-N 0 3 324.428 2.005 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)C1(C)CC1 ZINC001496062826 1065258634 /nfs/dbraw/zinc/25/86/34/1065258634.db2.gz CBEQHZXPWQXYSG-CQSZACIVSA-N 0 3 302.393 2.414 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001569188750 1065352323 /nfs/dbraw/zinc/35/23/23/1065352323.db2.gz XNRASVXMWVMPEO-INIZCTEOSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001569320845 1065427618 /nfs/dbraw/zinc/42/76/18/1065427618.db2.gz BVZJJTKYEAXHFT-FZMZJTMJSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC001569365791 1065463955 /nfs/dbraw/zinc/46/39/55/1065463955.db2.gz IYSQLNRGRIVHFS-VXGBXAGGSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001569374363 1065470050 /nfs/dbraw/zinc/47/00/50/1065470050.db2.gz KZSDSIYPAQRLFV-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C1CC1)NCC#Cc1ccc(F)cc1 ZINC001496519065 1065528525 /nfs/dbraw/zinc/52/85/25/1065528525.db2.gz UHJXGORAWMZWIH-QGZVFWFLSA-N 0 3 302.393 2.318 20 30 DEEDHN C=CCCC[NH2+][C@@H](CNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001496557309 1065561492 /nfs/dbraw/zinc/56/14/92/1065561492.db2.gz LEJNYYBISROUQU-HNNXBMFYSA-N 0 3 315.421 2.268 20 30 DEEDHN CC(C)C#CC(=O)N[C@@]1(C)CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001569637184 1065637693 /nfs/dbraw/zinc/63/76/93/1065637693.db2.gz 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ZINC001570187406 1065964169 /nfs/dbraw/zinc/96/41/69/1065964169.db2.gz LNRDWLAMLACGGD-HNNXBMFYSA-N 0 3 320.820 2.323 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccccc1C ZINC001570189084 1065964700 /nfs/dbraw/zinc/96/47/00/1065964700.db2.gz LTAMQMVKFTXQSB-UHFFFAOYSA-N 0 3 302.418 2.039 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)nnc1CC ZINC001497216384 1065967681 /nfs/dbraw/zinc/96/76/81/1065967681.db2.gz DPNXEMCTPCLNEL-NSHDSACASA-N 0 3 310.829 2.198 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc(OC)c1F ZINC001570214284 1065973276 /nfs/dbraw/zinc/97/32/76/1065973276.db2.gz LMDGBQVMYBJOJQ-UHFFFAOYSA-N 0 3 306.381 2.252 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1CCO[C@H](CCC)C1 ZINC001570213746 1065973837 /nfs/dbraw/zinc/97/38/37/1065973837.db2.gz CXAFBUWKKPBKMG-DLBZAZTESA-N 0 3 308.466 2.385 20 30 DEEDHN CCC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CC#CCOC)C1 ZINC001570220356 1065978682 /nfs/dbraw/zinc/97/86/82/1065978682.db2.gz PZBXMORZKIPBJW-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001570291399 1066005468 /nfs/dbraw/zinc/00/54/68/1066005468.db2.gz RCACVXOSAOIUMU-MJGOQNOKSA-N 0 3 320.477 2.335 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2cnn(C)c2)C(C)(C)C1 ZINC001570395743 1066051447 /nfs/dbraw/zinc/05/14/47/1066051447.db2.gz PQODTNRBVICGOO-ZBFHGGJFSA-N 0 3 318.465 2.316 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1sccc1Cl ZINC001497387987 1066064617 /nfs/dbraw/zinc/06/46/17/1066064617.db2.gz DXQSGXYFOCDKCF-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001628374944 1078296784 /nfs/dbraw/zinc/29/67/84/1078296784.db2.gz DGGFKVMYMDJHBD-UHFFFAOYSA-N 0 3 321.352 2.423 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc2nccc(C)c2c1 ZINC001497591817 1066183169 /nfs/dbraw/zinc/18/31/69/1066183169.db2.gz YFALKMWFOOOXAY-WAYWQWQTSA-N 0 3 307.397 2.442 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1sc(C)nc1CC(C)C ZINC001497627593 1066196424 /nfs/dbraw/zinc/19/64/24/1066196424.db2.gz RWXSQFJJJRZRLA-VOTSOKGWSA-N 0 3 305.447 2.159 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@H](C)CCc1ccccc1F ZINC001497676133 1066230542 /nfs/dbraw/zinc/23/05/42/1066230542.db2.gz XJWDRVVPZDOPDO-LQYUOIDQSA-N 0 3 302.393 2.290 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CN(C)C[C@@H](O)c1ccc(F)cc1 ZINC001498267394 1066606293 /nfs/dbraw/zinc/60/62/93/1066606293.db2.gz XVICSPPQNNHIGI-RHSMWYFYSA-N 0 3 320.408 2.099 20 30 DEEDHN COc1cccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)C)c1 ZINC001498275327 1066609386 /nfs/dbraw/zinc/60/93/86/1066609386.db2.gz DGRWQEWVEGNUPV-OAHLLOKOSA-N 0 3 302.418 2.291 20 30 DEEDHN Cc1ccc(OCCN(C)C[C@H](C)NC(=O)C#CC2CC2)cc1 ZINC001498276222 1066611255 /nfs/dbraw/zinc/61/12/55/1066611255.db2.gz KKZBFHNVSXVGSC-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(OC)c(OC)c1C ZINC001498311158 1066626551 /nfs/dbraw/zinc/62/65/51/1066626551.db2.gz NIQOFVAOQHCJPJ-LBPRGKRZSA-N 0 3 306.406 2.248 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001498398414 1066679875 /nfs/dbraw/zinc/67/98/75/1066679875.db2.gz FUTUOFAGSYJWOQ-CWRNSKLLSA-N 0 3 302.418 2.421 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC001498412089 1066689045 /nfs/dbraw/zinc/68/90/45/1066689045.db2.gz YKDNVJYYTVYUSE-NSHDSACASA-N 0 3 306.797 2.366 20 30 DEEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC001576907904 1066721142 /nfs/dbraw/zinc/72/11/42/1066721142.db2.gz MVCUTNYOYQMVJW-SMDDNHRTSA-N 0 3 319.430 2.145 20 30 DEEDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C#CC1CC1 ZINC001498544946 1066773102 /nfs/dbraw/zinc/77/31/02/1066773102.db2.gz BAKMTUJGYAMPLC-UHFFFAOYSA-N 0 3 321.402 2.008 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001498980810 1066997891 /nfs/dbraw/zinc/99/78/91/1066997891.db2.gz XVXRWVFBOVUCEJ-CYBMUJFWSA-N 0 3 304.438 2.478 20 30 DEEDHN COc1cccc(CNC2(CNC(=O)C#CC3CC3)CC2)c1C ZINC001499220864 1067146589 /nfs/dbraw/zinc/14/65/89/1067146589.db2.gz GLOYDZZEQVDAIT-UHFFFAOYSA-N 0 3 312.413 2.155 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C1(C2CCCCC2)CC1 ZINC001266990768 1078483410 /nfs/dbraw/zinc/48/34/10/1078483410.db2.gz VZPRNYWVCOIPEY-HNNXBMFYSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1sc(Cl)nc1Cl ZINC001266992725 1078485415 /nfs/dbraw/zinc/48/54/15/1078485415.db2.gz DLHRXKIPERWXEL-SSDOTTSWSA-N 0 3 306.218 2.181 20 30 DEEDHN C=CCC[C@H](C)N1CC(N(C)C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001671175235 1078493887 /nfs/dbraw/zinc/49/38/87/1078493887.db2.gz AQPWFIABYVQDEW-KGLIPLIRSA-N 0 3 304.438 2.086 20 30 DEEDHN C=CCC[C@H](C)N1CC(N(C)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001671175235 1078493891 /nfs/dbraw/zinc/49/38/91/1078493891.db2.gz AQPWFIABYVQDEW-KGLIPLIRSA-N 0 3 304.438 2.086 20 30 DEEDHN CO[C@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1)C(C)C ZINC001483380684 1078495217 /nfs/dbraw/zinc/49/52/17/1078495217.db2.gz MMHVGIPBNBNMPH-YOEHRIQHSA-N 0 3 317.433 2.166 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001267013531 1078500366 /nfs/dbraw/zinc/50/03/66/1078500366.db2.gz QGBIMUGPJRJVKS-INIZCTEOSA-N 0 3 307.397 2.371 20 30 DEEDHN Cc1ccc(CC[C@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)o1 ZINC001579685341 1067404219 /nfs/dbraw/zinc/40/42/19/1067404219.db2.gz LPECXSIMZYCWEU-ZEJWKSJJSA-N 0 3 315.417 2.165 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC001580049271 1067481661 /nfs/dbraw/zinc/48/16/61/1067481661.db2.gz MJOOCQMSTIXRMF-MRVPVSSYSA-N 0 3 306.313 2.208 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC001580050909 1067483345 /nfs/dbraw/zinc/48/33/45/1067483345.db2.gz QQRLVLKHCDUMFS-CYBMUJFWSA-N 0 3 315.352 2.361 20 30 DEEDHN N#CCc1cccc(C(=O)Nc2ccnc([C@@H]3CCCN3)n2)c1 ZINC001580055582 1067483933 /nfs/dbraw/zinc/48/39/33/1067483933.db2.gz QCOKBGXEUWXWOM-AWEZNQCLSA-N 0 3 307.357 2.219 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCCN[C@H](C)c2cnccn2)C1 ZINC001483490825 1078563150 /nfs/dbraw/zinc/56/31/50/1078563150.db2.gz QGPZFRQBCXVQOH-CQSZACIVSA-N 0 3 302.422 2.332 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1c(C)noc1C)C1CC1 ZINC001483578570 1078608631 /nfs/dbraw/zinc/60/86/31/1078608631.db2.gz ABDKIHIFPHRFQR-HNNXBMFYSA-N 0 3 305.422 2.488 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1cccnc1 ZINC001570584909 1068020266 /nfs/dbraw/zinc/02/02/66/1068020266.db2.gz RTYOACCFRBFEDC-HZPDHXFCSA-N 0 3 307.397 2.230 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C=C1CCC1 ZINC001570596012 1068026601 /nfs/dbraw/zinc/02/66/01/1068026601.db2.gz NRZNOSCSNUJOOK-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CCCCCCC1 ZINC001570619227 1068039995 /nfs/dbraw/zinc/03/99/95/1068039995.db2.gz VWGUYOACWUWEIY-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC001640228562 1078650190 /nfs/dbraw/zinc/65/01/90/1078650190.db2.gz KCRNPMOLEKLIII-OAHLLOKOSA-N 0 3 306.450 2.302 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)c1ccccc1 ZINC001570808006 1068121939 /nfs/dbraw/zinc/12/19/39/1068121939.db2.gz XFBZBQUXNLPZFJ-QGZVFWFLSA-N 0 3 302.418 2.215 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)CC2CC(C)(C)C2)C1 ZINC001570852548 1068140023 /nfs/dbraw/zinc/14/00/23/1068140023.db2.gz YBMUWQKAECOLND-AWEZNQCLSA-N 0 3 308.466 2.452 20 30 DEEDHN N#Cc1ccc(N2CCN[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001640350209 1078656281 /nfs/dbraw/zinc/65/62/81/1078656281.db2.gz CMCMTQAOFHKZKU-HNNXBMFYSA-N 0 3 324.340 2.323 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@]2(C1)CN(CC1CCC1)CCO2 ZINC001570885184 1068147916 /nfs/dbraw/zinc/14/79/16/1068147916.db2.gz YMMSOLCEGUQTQC-IBGZPJMESA-N 0 3 318.461 2.283 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3cnc(C)s3)C[C@H]21 ZINC001570914286 1068159979 /nfs/dbraw/zinc/15/99/79/1068159979.db2.gz ZZHVPSFLFOBRJV-QKDCVEJESA-N 0 3 305.447 2.212 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001570958746 1068166484 /nfs/dbraw/zinc/16/64/84/1068166484.db2.gz QKWJEKZYTDRVRA-LDLYASANSA-N 0 3 310.441 2.163 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001571107637 1068182504 /nfs/dbraw/zinc/18/25/04/1068182504.db2.gz NQRCERBJSIPXHP-HDJSIYSDSA-N 0 3 320.462 2.025 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC(N(C)CCF)CC1 ZINC001571332896 1068228492 /nfs/dbraw/zinc/22/84/92/1068228492.db2.gz XPNSQIZPHIYDJD-MRXNPFEDSA-N 0 3 300.418 2.108 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C=C1CCCCC1 ZINC001571378834 1068260481 /nfs/dbraw/zinc/26/04/81/1068260481.db2.gz LRCOWBFEGTVQOI-GJZGRUSLSA-N 0 3 321.465 2.004 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001571379871 1068262508 /nfs/dbraw/zinc/26/25/08/1068262508.db2.gz DRPYYQTWHKFGLO-CABCVRRESA-N 0 3 320.408 2.039 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1ccc2c(c1)CCCO2 ZINC001571391468 1068270668 /nfs/dbraw/zinc/27/06/68/1068270668.db2.gz BVVUGFNIVJXPEC-OAHLLOKOSA-N 0 3 314.429 2.014 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(-c2ccccc2)on1 ZINC001571395589 1068272694 /nfs/dbraw/zinc/27/26/94/1068272694.db2.gz JOZWKXGZDYDHFP-AWEZNQCLSA-N 0 3 311.385 2.415 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1occc1C(C)C ZINC001571401715 1068276590 /nfs/dbraw/zinc/27/65/90/1068276590.db2.gz JGKLADXLANRAAL-AWEZNQCLSA-N 0 3 306.406 2.103 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCC(=O)N1CCCCC1 ZINC001571405025 1068279065 /nfs/dbraw/zinc/27/90/65/1068279065.db2.gz XVFYOHULWCNTMN-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@H](C)NCc1cccnc1 ZINC001571416023 1068285030 /nfs/dbraw/zinc/28/50/30/1068285030.db2.gz YWSRXWLLRCFCDR-INIZCTEOSA-N 0 3 321.424 2.242 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCC(=O)NCC)CCCCC1 ZINC001571418566 1068286450 /nfs/dbraw/zinc/28/64/50/1068286450.db2.gz ZFMQPFMRHARVAX-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)NCC1(NC[C@H](O)c2ccccc2F)CC1 ZINC001670756066 1078684376 /nfs/dbraw/zinc/68/43/76/1078684376.db2.gz ZQLAFYOCZBXWBY-HNNXBMFYSA-N 0 3 306.381 2.064 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccnn2C2CCCC2)C1 ZINC001571478646 1068331786 /nfs/dbraw/zinc/33/17/86/1068331786.db2.gz GCCDTHVOIRKQNC-CABCVRRESA-N 0 3 314.433 2.214 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H](NCc2cncn2C)C[C@@H]1C ZINC001571478711 1068332932 /nfs/dbraw/zinc/33/29/32/1068332932.db2.gz GPEHOHRUQJMFDV-GOEBONIOSA-N 0 3 316.449 2.268 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001571479275 1068333056 /nfs/dbraw/zinc/33/30/56/1068333056.db2.gz NVQKHJDRZQHXPA-NVXWUHKLSA-N 0 3 309.413 2.464 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cc(F)ccc2F)C1 ZINC001571484853 1068340458 /nfs/dbraw/zinc/34/04/58/1068340458.db2.gz JJOJVYCWUXISRY-WFASDCNBSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2nccc3ccccc32)C1 ZINC001571485284 1068341212 /nfs/dbraw/zinc/34/12/12/1068341212.db2.gz PHGYBMDICBRFFO-HOCLYGCPSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC001571655069 1068462233 /nfs/dbraw/zinc/46/22/33/1068462233.db2.gz XMRAGIJSRDDMJI-JEYLPNPQSA-N 0 3 321.421 2.043 20 30 DEEDHN CS[C@H](C)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001571654368 1068463004 /nfs/dbraw/zinc/46/30/04/1068463004.db2.gz YGHUYWYONHFIRU-ODIFPOPNSA-N 0 3 316.470 2.369 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1 ZINC001571669058 1068470110 /nfs/dbraw/zinc/47/01/10/1068470110.db2.gz NGLZFFUJWCEUDB-VYDXJSESSA-N 0 3 300.446 2.417 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001483647398 1078739463 /nfs/dbraw/zinc/73/94/63/1078739463.db2.gz KTJHYDRFBCFLCO-IEBWSBKVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cn2ccccc2n1 ZINC001483661644 1078761608 /nfs/dbraw/zinc/76/16/08/1078761608.db2.gz NDTHKJITNLDDJI-INIZCTEOSA-N 0 3 312.417 2.034 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCN(CCOC1CCC1)C1CC1 ZINC001267325804 1078767359 /nfs/dbraw/zinc/76/73/59/1078767359.db2.gz MSCRZXNDVSCSDO-UHFFFAOYSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NC(=O)CN(C)CCC)CC1 ZINC001572297712 1068722929 /nfs/dbraw/zinc/72/29/29/1068722929.db2.gz MPWVULZNVSJQTC-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001572406884 1068757028 /nfs/dbraw/zinc/75/70/28/1068757028.db2.gz PSBONZUCYYQFPF-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN[C@H](CNC(=O)CC[C@H]1CCOC1)c1ccccc1 ZINC001267358169 1078790960 /nfs/dbraw/zinc/79/09/60/1078790960.db2.gz XRINGPJVMWDUQA-DOTOQJQBSA-N 0 3 302.418 2.436 20 30 DEEDHN CC(C)C[C@H](N)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F ZINC001573504737 1069022646 /nfs/dbraw/zinc/02/26/46/1069022646.db2.gz UHDLZIWJITZLKQ-LURJTMIESA-N 0 3 312.229 2.309 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC001272391768 1078847803 /nfs/dbraw/zinc/84/78/03/1078847803.db2.gz BIGDFWNDUJZSFB-ZDUSSCGKSA-N 0 3 311.813 2.486 20 30 DEEDHN CCO[C@H](CC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483718441 1078864392 /nfs/dbraw/zinc/86/43/92/1078864392.db2.gz GDXKYKKBMHCWPQ-MRXNPFEDSA-N 0 3 315.417 2.112 20 30 DEEDHN CC(C)c1cccc(CN[C@@H](C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001369241718 1148879431 /nfs/dbraw/zinc/87/94/31/1148879431.db2.gz VBSPLJWREIOZRM-KBPBESRZSA-N 0 3 302.422 2.301 20 30 DEEDHN CCN1CCC[C@@]12CCN(CCOc1ccccc1C#N)C2=O ZINC001272440739 1078878149 /nfs/dbraw/zinc/87/81/49/1078878149.db2.gz VUQOYKUZRZEJHP-SFHVURJKSA-N 0 3 313.401 2.024 20 30 DEEDHN C#Cc1cccc(N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)c1 ZINC001574765771 1069259375 /nfs/dbraw/zinc/25/93/75/1069259375.db2.gz JUQINKPKRAVPJY-LJQANCHMSA-N 0 3 321.424 2.090 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001574903246 1069292474 /nfs/dbraw/zinc/29/24/74/1069292474.db2.gz NDOFKLXVUQFVKE-GJZGRUSLSA-N 0 3 303.406 2.053 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC001574908533 1069294531 /nfs/dbraw/zinc/29/45/31/1069294531.db2.gz RNAWJXBVSKMANT-CYBMUJFWSA-N 0 3 314.389 2.150 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc3cccnn32)C1 ZINC001267481382 1078904589 /nfs/dbraw/zinc/90/45/89/1078904589.db2.gz ICQBHOIUTHWGDQ-QGZVFWFLSA-N 0 3 324.428 2.284 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001543364249 1072492544 /nfs/dbraw/zinc/49/25/44/1072492544.db2.gz QGVGVWNRBFTALC-BSDKJSHOSA-N 0 3 318.392 2.399 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@]1(C)OCCc2ccccc21 ZINC001480954361 1078915469 /nfs/dbraw/zinc/91/54/69/1078915469.db2.gz WMCVPVOMVZMUDU-GOSISDBHSA-N 0 3 302.418 2.099 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001480956058 1078944520 /nfs/dbraw/zinc/94/45/20/1078944520.db2.gz JRWMLCATLFEHTG-UHFFFAOYSA-N 0 3 307.369 2.022 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ccc(C)n1C)c1ccccc1 ZINC001267517703 1078946545 /nfs/dbraw/zinc/94/65/45/1078946545.db2.gz NOZIERSQOUEVOB-QGZVFWFLSA-N 0 3 309.413 2.418 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(CO)cc2)C1=O ZINC001272565951 1078964550 /nfs/dbraw/zinc/96/45/50/1078964550.db2.gz TXLJKQLJVOBODO-IBGZPJMESA-N 0 3 314.429 2.322 20 30 DEEDHN C=CCN1CC[C@@H](N(CCC)C(=O)CCCn2ccnc2C)C1 ZINC001267548167 1078978735 /nfs/dbraw/zinc/97/87/35/1078978735.db2.gz ZQCRVRUOVHWOHO-QGZVFWFLSA-N 0 3 318.465 2.471 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CC)C12CCC2 ZINC001078518187 1084730868 /nfs/dbraw/zinc/73/08/68/1084730868.db2.gz HRTKFTKQUMRWEG-QWRGUYRKSA-N 0 3 301.228 2.322 20 30 DEEDHN CON=Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC001548860322 1072919528 /nfs/dbraw/zinc/91/95/28/1072919528.db2.gz KEXDMIHTSQGTGX-CQSZACIVSA-N 0 3 315.417 2.223 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)cn1 ZINC001267567951 1079002570 /nfs/dbraw/zinc/00/25/70/1079002570.db2.gz RUYJSHUDVNDZFV-LEPFTWFBSA-N 0 3 317.820 2.257 20 30 DEEDHN CC#CCN(CCCNC(=O)c1conc1C(C)C)C1CC1 ZINC001566587996 1073362693 /nfs/dbraw/zinc/36/26/93/1073362693.db2.gz ABSANGZULKASCR-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCCN1CCc1scnc1C ZINC001481035017 1079102178 /nfs/dbraw/zinc/10/21/78/1079102178.db2.gz HQLDNCIVMFDWEC-OAHLLOKOSA-N 0 3 319.474 2.378 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)C1(COC)CC1)c1ccccc1 ZINC001649440063 1079119827 /nfs/dbraw/zinc/11/98/27/1079119827.db2.gz ISZKYYVDCFBPJX-MRXNPFEDSA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001481046598 1079123699 /nfs/dbraw/zinc/12/36/99/1079123699.db2.gz XMKBUMQOEBSGCA-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN CC(C)c1cccc(CN2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001481082084 1079164304 /nfs/dbraw/zinc/16/43/04/1079164304.db2.gz BBDBSXTZJLKBKB-CABCVRRESA-N 0 3 314.433 2.303 20 30 DEEDHN CCCc1nc(C)c(CN2CC[C@H](CNC(=O)[C@H](C)C#N)C2)o1 ZINC001481083579 1079166094 /nfs/dbraw/zinc/16/60/94/1079166094.db2.gz LUCKXHOWFKNFGW-TZMCWYRMSA-N 0 3 318.421 2.033 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001483945554 1079201771 /nfs/dbraw/zinc/20/17/71/1079201771.db2.gz AOIIVIMWOMOTKH-KGLIPLIRSA-N 0 3 310.829 2.167 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2CNC[C@H](F)CC)cn1 ZINC001483951837 1079208099 /nfs/dbraw/zinc/20/80/99/1079208099.db2.gz MJDMSKBODVTWOR-ZBFHGGJFSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCN(C(=O)CCc1ccco1)C1CCN(CC=C)CC1 ZINC001483979242 1079222424 /nfs/dbraw/zinc/22/24/24/1079222424.db2.gz SGXVKAJXEHOTSX-UHFFFAOYSA-N 0 3 300.402 2.324 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001481123945 1079223446 /nfs/dbraw/zinc/22/34/46/1079223446.db2.gz MBOCGGNZNNYLIN-HUUCEWRRSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN(C(=O)COCCC)C1CCN(CC=C(C)C)CC1 ZINC001483981454 1079223788 /nfs/dbraw/zinc/22/37/88/1079223788.db2.gz WCXAEBYJSAPXTL-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(C[C@H](O)C2CCCCC2)C1 ZINC001267614776 1079224595 /nfs/dbraw/zinc/22/45/95/1079224595.db2.gz RQFMKEMMQRBTBE-MSOLQXFVSA-N 0 3 320.477 2.168 20 30 DEEDHN C=C[C@@](C)(O)CNCc1cc(Br)ccc1OC ZINC001252578028 1093588224 /nfs/dbraw/zinc/58/82/24/1093588224.db2.gz PNTLHWXJTFIMGI-CYBMUJFWSA-N 0 3 300.196 2.484 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)COc1ccc(F)cc1F ZINC001481137260 1079245212 /nfs/dbraw/zinc/24/52/12/1079245212.db2.gz IANZOJGDRFXUSY-UHFFFAOYSA-N 0 3 324.371 2.195 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)COCC1CC1)C2 ZINC001484020738 1079246837 /nfs/dbraw/zinc/24/68/37/1079246837.db2.gz VZSVQYOQXVKNCP-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN N#Cc1cccc(CNC(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC001646192052 1074367386 /nfs/dbraw/zinc/36/73/86/1074367386.db2.gz GCBTXZXNYWNTRR-GOSISDBHSA-N 0 3 320.396 2.072 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001484038892 1079261080 /nfs/dbraw/zinc/26/10/80/1079261080.db2.gz XROCJQCYIUFYOR-WCQYABFASA-N 0 3 305.344 2.459 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@]2(C)CCN(CCOCC=C)C2)cc1 ZINC001484053803 1079272166 /nfs/dbraw/zinc/27/21/66/1079272166.db2.gz IQNGPTPEAPLCIE-IBGZPJMESA-N 0 3 312.413 2.065 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001484068537 1079290310 /nfs/dbraw/zinc/29/03/10/1079290310.db2.gz CRLCQIPQOWWXPH-QFBILLFUSA-N 0 3 314.429 2.366 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CCc1nnc(C2CCCC2)o1 ZINC001646845504 1074647257 /nfs/dbraw/zinc/64/72/57/1074647257.db2.gz RWARLNQWYSQMKS-GFCCVEGCSA-N 0 3 313.361 2.270 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC001484145976 1079323032 /nfs/dbraw/zinc/32/30/32/1079323032.db2.gz NQXFKFFVMPMMGZ-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccc(OC)c2C)CC1 ZINC001484142756 1079325718 /nfs/dbraw/zinc/32/57/18/1079325718.db2.gz CFGGNXKYBQHSSB-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)COc2ccsc2)C1 ZINC001484174923 1079345148 /nfs/dbraw/zinc/34/51/48/1079345148.db2.gz SGEZUGJLAZRGPV-KRWDZBQOSA-N 0 3 320.458 2.369 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2c(C)noc2C)C1 ZINC001484176677 1079347333 /nfs/dbraw/zinc/34/73/33/1079347333.db2.gz WDLIYFARKMFCAC-KRWDZBQOSA-N 0 3 305.422 2.238 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC001556466812 1075032110 /nfs/dbraw/zinc/03/21/10/1075032110.db2.gz NRJKYMMXGCBSSO-DZGCQCFKSA-N 0 3 304.438 2.042 20 30 DEEDHN CN(CCNCc1ccc(Cl)s1)C(=O)CSCC#N ZINC001567466436 1075033824 /nfs/dbraw/zinc/03/38/24/1075033824.db2.gz CMXWVNMXRPFCSO-UHFFFAOYSA-N 0 3 317.867 2.206 20 30 DEEDHN COC(=O)C1CCN(CCCNc2cc(F)ccc2C#N)CC1 ZINC001559155570 1075114164 /nfs/dbraw/zinc/11/41/64/1075114164.db2.gz OGRHZIMZOFDGIF-UHFFFAOYSA-N 0 3 319.380 2.384 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001484245914 1079366036 /nfs/dbraw/zinc/36/60/36/1079366036.db2.gz YWLZSBHKDVTEMA-RDTXWAMCSA-N 0 3 320.408 2.058 20 30 DEEDHN C#C[C@H](NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1 ZINC001559769722 1075128510 /nfs/dbraw/zinc/12/85/10/1075128510.db2.gz RTWNWIZIUBQDKH-STQMWFEESA-N 0 3 309.312 2.321 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C2(C)CCCCCC2)C1 ZINC001484224283 1079360918 /nfs/dbraw/zinc/36/09/18/1079360918.db2.gz RMFGTRJBLKIUSX-SFHVURJKSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)CCc2ccc(C)s2)C1 ZINC001484255112 1079367169 /nfs/dbraw/zinc/36/71/69/1079367169.db2.gz WWGVSYJVNDTVJY-QGZVFWFLSA-N 0 3 322.474 2.118 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1ccc(F)cc1F ZINC001564847426 1075175100 /nfs/dbraw/zinc/17/51/00/1075175100.db2.gz MGSJHWQUKLASQI-UHFFFAOYSA-N 0 3 323.387 2.454 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2sccc2C(F)F)C1 ZINC001484248629 1079368722 /nfs/dbraw/zinc/36/87/22/1079368722.db2.gz PDXPIWTXXFZTKY-CQSZACIVSA-N 0 3 316.373 2.038 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC001566034877 1075219364 /nfs/dbraw/zinc/21/93/64/1075219364.db2.gz ZYRGRJMBHYXOSL-MRXNPFEDSA-N 0 3 320.408 2.219 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccc(OC)c(C)c2)[C@H]1C ZINC001566093194 1075228598 /nfs/dbraw/zinc/22/85/98/1075228598.db2.gz ZEWAUVIDNFNWMU-ZBFHGGJFSA-N 0 3 318.417 2.147 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)[C@H]1CCCN(C)C1=O ZINC001566560978 1075282163 /nfs/dbraw/zinc/28/21/63/1075282163.db2.gz WLLSJWXHQUHXAL-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CCCC1(C)C)C1CC1 ZINC001566593891 1075292179 /nfs/dbraw/zinc/29/21/79/1075292179.db2.gz IVSLBGIOPLFCBJ-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCCC(=O)N(C)C1CCN(CCOC2CCC2)CC1 ZINC001566608586 1075295664 /nfs/dbraw/zinc/29/56/64/1075295664.db2.gz XBZBHBYOSRHXCR-UHFFFAOYSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@@H]1CCN(CCCO)C1)c1ccccc1 ZINC001566684174 1075316781 /nfs/dbraw/zinc/31/67/81/1075316781.db2.gz IQVLXWAAUBVAPX-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001566719804 1075325992 /nfs/dbraw/zinc/32/59/92/1075325992.db2.gz ONSOZBDFYLEVMG-DOPJRALCSA-N 0 3 314.404 2.318 20 30 DEEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001566748565 1075334168 /nfs/dbraw/zinc/33/41/68/1075334168.db2.gz PALKUXDSCOFQKC-GASCZTMLSA-N 0 3 302.422 2.445 20 30 DEEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1 ZINC001566748565 1075334173 /nfs/dbraw/zinc/33/41/73/1075334173.db2.gz PALKUXDSCOFQKC-GASCZTMLSA-N 0 3 302.422 2.445 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCOCC2CC2)C1 ZINC001566824317 1075353954 /nfs/dbraw/zinc/35/39/54/1075353954.db2.gz HIHXIMNYSANKFZ-ROUUACIJSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCCCC(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001566936930 1075392424 /nfs/dbraw/zinc/39/24/24/1075392424.db2.gz SDBOXISPHXPNTO-KRWDZBQOSA-N 0 3 316.449 2.084 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2C)C1 ZINC001566957814 1075399133 /nfs/dbraw/zinc/39/91/33/1075399133.db2.gz JJLKHBNPSROVNZ-GDBMZVCRSA-N 0 3 318.417 2.068 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001566959565 1075400872 /nfs/dbraw/zinc/40/08/72/1075400872.db2.gz FKOXXFAAAHZDHA-AEFFLSMTSA-N 0 3 313.445 2.458 20 30 DEEDHN C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001566961258 1075401030 /nfs/dbraw/zinc/40/10/30/1075401030.db2.gz UGTQEVUBDCKIGM-YJBOKZPZSA-N 0 3 311.429 2.212 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001566965928 1075402350 /nfs/dbraw/zinc/40/23/50/1075402350.db2.gz OMFXIUZDHSEBIY-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCCC(=O)NC1CCC(NCc2cc(C)ncn2)CC1 ZINC001566981706 1075407599 /nfs/dbraw/zinc/40/75/99/1075407599.db2.gz JMVDZXFSILHWHL-UHFFFAOYSA-N 0 3 314.433 2.106 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001567002634 1075413507 /nfs/dbraw/zinc/41/35/07/1075413507.db2.gz WFARITKWLKZIHX-ZDUSSCGKSA-N 0 3 301.390 2.127 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001567022416 1075418368 /nfs/dbraw/zinc/41/83/68/1075418368.db2.gz LBUQQBLZMOVCSM-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccccc1C(C)C ZINC001567020829 1075418334 /nfs/dbraw/zinc/41/83/34/1075418334.db2.gz AJNDZRGGNMLJCX-OAHLLOKOSA-N 0 3 302.418 2.168 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCCOc1ccccc1C ZINC001567041956 1075421140 /nfs/dbraw/zinc/42/11/40/1075421140.db2.gz ILRZMGHNFPDLCB-MRXNPFEDSA-N 0 3 302.418 2.272 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2cc(C)n(C)n2)cc1 ZINC001567224734 1075467990 /nfs/dbraw/zinc/46/79/90/1075467990.db2.gz HALCEAITVCTTMA-AWEZNQCLSA-N 0 3 324.428 2.008 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001267722270 1079411315 /nfs/dbraw/zinc/41/13/15/1079411315.db2.gz CVEZOWVQIAHYSR-KRWDZBQOSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1ccc(OC)cc1 ZINC001329424403 1148893352 /nfs/dbraw/zinc/89/33/52/1148893352.db2.gz CBTMEMGPYOHAGO-HNNXBMFYSA-N 0 3 302.418 2.435 20 30 DEEDHN C[C@@H](NCCN(C)C(=O)c1cc(C#N)c[nH]1)c1ccccc1F ZINC001481217386 1079418874 /nfs/dbraw/zinc/41/88/74/1079418874.db2.gz AQCLGXFQQLQUSJ-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001580375473 1075912895 /nfs/dbraw/zinc/91/28/95/1075912895.db2.gz HZKAFPARGXNSFA-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001580766930 1075990074 /nfs/dbraw/zinc/99/00/74/1075990074.db2.gz KUTAJGSSAXPLID-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001267790460 1079497683 /nfs/dbraw/zinc/49/76/83/1079497683.db2.gz LPSJEURCUZSFFH-CHWSQXEVSA-N 0 3 322.371 2.310 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329443356 1148895640 /nfs/dbraw/zinc/89/56/40/1148895640.db2.gz ZBKKUXPYRYORKT-KBPBESRZSA-N 0 3 322.836 2.315 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001581270369 1076060103 /nfs/dbraw/zinc/06/01/03/1076060103.db2.gz XSQNIEYBVSJUAY-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588539799 1076453086 /nfs/dbraw/zinc/45/30/86/1076453086.db2.gz ZUXXYVRVRCCEKQ-CQSZACIVSA-N 0 3 301.394 2.092 20 30 DEEDHN C=CCC(C)(C)C[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588539799 1076453088 /nfs/dbraw/zinc/45/30/88/1076453088.db2.gz ZUXXYVRVRCCEKQ-CQSZACIVSA-N 0 3 301.394 2.092 20 30 DEEDHN C=CCN1CCC([NH2+][C@@H]2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001588657834 1076460136 /nfs/dbraw/zinc/46/01/36/1076460136.db2.gz XZEVMUTZSNKZCL-QGZVFWFLSA-N 0 3 324.432 2.094 20 30 DEEDHN N#Cc1csc(C[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592705763 1076956634 /nfs/dbraw/zinc/95/66/34/1076956634.db2.gz CEBUGQTZTOQVGC-UHFFFAOYSA-N 0 3 310.386 2.132 20 30 DEEDHN N#Cc1csc(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592705763 1076956638 /nfs/dbraw/zinc/95/66/38/1076956638.db2.gz CEBUGQTZTOQVGC-UHFFFAOYSA-N 0 3 310.386 2.132 20 30 DEEDHN C#CC[N@@H+](Cc1ccc(Cl)cc1-c1nnn[n-]1)CC1CC1 ZINC001609021140 1077742620 /nfs/dbraw/zinc/74/26/20/1077742620.db2.gz GPIZBOVMFDHKEP-UHFFFAOYSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[N@H+](Cc1ccc(Cl)cc1-c1nnn[n-]1)CC1CC1 ZINC001609021140 1077742623 /nfs/dbraw/zinc/74/26/23/1077742623.db2.gz GPIZBOVMFDHKEP-UHFFFAOYSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[N@@H+](Cc1ccc(Cl)cc1-c1nn[n-]n1)CC1CC1 ZINC001609021140 1077742625 /nfs/dbraw/zinc/74/26/25/1077742625.db2.gz GPIZBOVMFDHKEP-UHFFFAOYSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[N@H+](Cc1ccc(Cl)cc1-c1nn[n-]n1)CC1CC1 ZINC001609021140 1077742628 /nfs/dbraw/zinc/74/26/28/1077742628.db2.gz GPIZBOVMFDHKEP-UHFFFAOYSA-N 0 3 301.781 2.365 20 30 DEEDHN C=CCCCC(=O)NC1(CNCc2cncn2C)CCCC1 ZINC001267842470 1079531683 /nfs/dbraw/zinc/53/16/83/1079531683.db2.gz VBHZAISMYZMBJP-UHFFFAOYSA-N 0 3 304.438 2.295 20 30 DEEDHN C=C(C)CCC(=O)N[C@@](C)(CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001267853754 1079541810 /nfs/dbraw/zinc/54/18/10/1079541810.db2.gz QUYRSOIIBYKXJT-SJCJKPOMSA-N 0 3 319.453 2.405 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cc(C)[nH]c1C ZINC001484400640 1079592095 /nfs/dbraw/zinc/59/20/95/1079592095.db2.gz YLIPQGGXLNLNKR-UHFFFAOYSA-N 0 3 309.413 2.497 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H](C)n1cccn1 ZINC001484401142 1079594005 /nfs/dbraw/zinc/59/40/05/1079594005.db2.gz GPRMZEUVWCYCGK-QGZVFWFLSA-N 0 3 324.428 2.086 20 30 DEEDHN C=CCCCN1CCC[C@](CO)(NC(=O)c2coc(C)c2)C1 ZINC001484434332 1079610361 /nfs/dbraw/zinc/61/03/61/1079610361.db2.gz MFGWKEWKWZXHDA-KRWDZBQOSA-N 0 3 306.406 2.111 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCC(=O)NC1)c1ccc2ccccc2n1 ZINC001650431354 1079617025 /nfs/dbraw/zinc/61/70/25/1079617025.db2.gz PCDJXEOLUIQSIN-GXTWGEPZSA-N 0 3 307.353 2.327 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ncc(F)cc2F)cc1 ZINC001267938034 1079618703 /nfs/dbraw/zinc/61/87/03/1079618703.db2.gz IEFHIMIAOKXGJW-UHFFFAOYSA-N 0 3 315.323 2.013 20 30 DEEDHN COCCN(C)Cc1ccccc1CNC(=O)C#CC(C)(C)C ZINC001484554436 1079657145 /nfs/dbraw/zinc/65/71/45/1079657145.db2.gz VSAJDFOQCVHQPA-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN C=C(Cl)CN[C@H](C)c1ccc(CNC(=O)c2nnc[nH]2)cc1 ZINC001484561445 1079660505 /nfs/dbraw/zinc/66/05/05/1079660505.db2.gz BMXWESOAYUIAFF-LLVKDONJSA-N 0 3 319.796 2.138 20 30 DEEDHN CC(C)OCCN(C)Cc1ccccc1CNC(=O)[C@H](C)C#N ZINC001484555435 1079661815 /nfs/dbraw/zinc/66/18/15/1079661815.db2.gz MANOIGIQYLBXCW-OAHLLOKOSA-N 0 3 317.433 2.319 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)CCC1 ZINC001484658494 1079714781 /nfs/dbraw/zinc/71/47/81/1079714781.db2.gz DYNVOBMYWSPFIK-CVEARBPZSA-N 0 3 306.450 2.089 20 30 DEEDHN Cc1noc(C)c1CN1CCC[C@@H](NC(=O)C#CC2CC2)CC1 ZINC001484713945 1079738204 /nfs/dbraw/zinc/73/82/04/1079738204.db2.gz NCEDXYMIMBKCAW-MRXNPFEDSA-N 0 3 315.417 2.176 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)C1=CCOCC1)c1ccccc1 ZINC001481364322 1079758081 /nfs/dbraw/zinc/75/80/81/1079758081.db2.gz GDGNPPWKPJODAF-QGZVFWFLSA-N 0 3 300.402 2.356 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001484754602 1079782030 /nfs/dbraw/zinc/78/20/30/1079782030.db2.gz FKRFFMSSJSQADC-INIZCTEOSA-N 0 3 308.466 2.243 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CSC)C2 ZINC001484824057 1079816876 /nfs/dbraw/zinc/81/68/76/1079816876.db2.gz KBUZVPCVEZBFPN-RDJZCZTQSA-N 0 3 308.491 2.323 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001484881630 1079841408 /nfs/dbraw/zinc/84/14/08/1079841408.db2.gz CEHPIBFPYJUCDH-BLLLJJGKSA-N 0 3 324.371 2.104 20 30 DEEDHN CC(C)C(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001484881208 1079841993 /nfs/dbraw/zinc/84/19/93/1079841993.db2.gz QQIYWFCRKVBXQA-PBHICJAKSA-N 0 3 302.393 2.270 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2cccnc2)C(C)(C)C1 ZINC001484938645 1079870800 /nfs/dbraw/zinc/87/08/00/1079870800.db2.gz FXNFPCKAJNIFIK-INIZCTEOSA-N 0 3 301.434 2.417 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC001484946019 1079878036 /nfs/dbraw/zinc/87/80/36/1079878036.db2.gz ICEPLHCKJMQNGO-KRWDZBQOSA-N 0 3 321.509 2.463 20 30 DEEDHN CCOCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001484969269 1079886877 /nfs/dbraw/zinc/88/68/77/1079886877.db2.gz UDSWSAPYISWXCZ-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccc(CC)cc2)C[C@@H]1C ZINC001484984996 1079898319 /nfs/dbraw/zinc/89/83/19/1079898319.db2.gz AOHGSAQGYPHPME-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2cccc(C)c2)CC1 ZINC001481464953 1079914398 /nfs/dbraw/zinc/91/43/98/1079914398.db2.gz MLCDFDCQIQPFQI-UHFFFAOYSA-N 0 3 315.461 2.261 20 30 DEEDHN CC(C)C#CC(=O)N1CCC2(CN(CCOC3CCC3)C2)CC1 ZINC001268043560 1079919686 /nfs/dbraw/zinc/91/96/86/1079919686.db2.gz MCOWDBHGXKUZFD-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001485077144 1079961392 /nfs/dbraw/zinc/96/13/92/1079961392.db2.gz YDSNFOOFFCILTJ-LSDHHAIUSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001481522596 1079994341 /nfs/dbraw/zinc/99/43/41/1079994341.db2.gz GUUVJJOMDUHVFW-DGCLKSJQSA-N 0 3 308.451 2.395 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)Cc1ccoc1 ZINC001485137782 1080022817 /nfs/dbraw/zinc/02/28/17/1080022817.db2.gz MXOQJSVGSKBWAQ-CVEARBPZSA-N 0 3 310.397 2.357 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001656160673 1080056976 /nfs/dbraw/zinc/05/69/76/1080056976.db2.gz OPMNLZGPLKFJSV-OKILXGFUSA-N 0 3 304.438 2.007 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1coc2ccccc21 ZINC001656877880 1080132592 /nfs/dbraw/zinc/13/25/92/1080132592.db2.gz YTRMXHAQLHQPGM-UHFFFAOYSA-N 0 3 314.385 2.086 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCCC[C@@H](NCC(=O)N(C)C)C1 ZINC001656898501 1080136304 /nfs/dbraw/zinc/13/63/04/1080136304.db2.gz DAPZYGIKJKDVKT-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(COCC)CC2)CC(C)(C)C1 ZINC001657101460 1080156763 /nfs/dbraw/zinc/15/67/63/1080156763.db2.gz AFFJYUHTOFNCPB-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CC[C@@H]1CCN(Cc2cnc3c(C(=O)OCC)cnn3c2)C1 ZINC001658631560 1080213918 /nfs/dbraw/zinc/21/39/18/1080213918.db2.gz MAYBNGNTCRFDMC-CYBMUJFWSA-N 0 3 314.389 2.304 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001268239268 1080221341 /nfs/dbraw/zinc/22/13/41/1080221341.db2.gz AJEGNVRRIKRJMN-CYBMUJFWSA-N 0 3 306.454 2.486 20 30 DEEDHN Cc1ccccc1[C@@H](C)NCc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001659632243 1080244931 /nfs/dbraw/zinc/24/49/31/1080244931.db2.gz WDKLNIWATAPREA-GFCCVEGCSA-N 0 3 307.357 2.466 20 30 DEEDHN C[C@H](NC(=O)CSCC#N)C1CN([C@@H](C)c2ccccc2)C1 ZINC001485492136 1080251098 /nfs/dbraw/zinc/25/10/98/1080251098.db2.gz VYPGFIJCOGYBPY-KBPBESRZSA-N 0 3 317.458 2.441 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2nc(C)cs2)C1 ZINC001485511231 1080270736 /nfs/dbraw/zinc/27/07/36/1080270736.db2.gz KDWSMGOUYLBPNP-CYBMUJFWSA-N 0 3 307.463 2.397 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001485538818 1080286867 /nfs/dbraw/zinc/28/68/67/1080286867.db2.gz HVDMARHRKQWHLM-YJBOKZPZSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001485535218 1080289396 /nfs/dbraw/zinc/28/93/96/1080289396.db2.gz LXQMLNKIEMAYGU-JKSUJKDBSA-N 0 3 314.429 2.222 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001481696450 1080314017 /nfs/dbraw/zinc/31/40/17/1080314017.db2.gz LUNAXYRFMDOTME-WMZOPIPTSA-N 0 3 316.445 2.258 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](OC)[C@H](C)CC)C1 ZINC001485687763 1080368815 /nfs/dbraw/zinc/36/88/15/1080368815.db2.gz NJCPCDQHIVSTCV-ZRJCITRHSA-N 0 3 302.846 2.284 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001660703363 1080381470 /nfs/dbraw/zinc/38/14/70/1080381470.db2.gz CBQKTOMLSNSOHD-ZWKOTPCHSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc(C)nc1OC)C1CC1 ZINC001660727545 1080386771 /nfs/dbraw/zinc/38/67/71/1080386771.db2.gz XLUYYOZVPBBFDE-UHFFFAOYSA-N 0 3 315.417 2.006 20 30 DEEDHN Cc1nc2ccccc2nc1CNCCNc1ccc(C#N)cn1 ZINC001660770983 1080394594 /nfs/dbraw/zinc/39/45/94/1080394594.db2.gz RSYBKRQUPDUVMV-UHFFFAOYSA-N 0 3 318.384 2.407 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)CCC2(C)CC2)CC1 ZINC001660904721 1080413900 /nfs/dbraw/zinc/41/39/00/1080413900.db2.gz PDYQIPYJIZLGTI-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C2CCC(=C)CC2)CC1 ZINC001660896350 1080414095 /nfs/dbraw/zinc/41/40/95/1080414095.db2.gz VAZJYIAOGHESJT-UHFFFAOYSA-N 0 3 319.493 2.433 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)CCc2cccc(C)c2)C1 ZINC001661006678 1080426730 /nfs/dbraw/zinc/42/67/30/1080426730.db2.gz FZWXADPAZUPOEZ-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2cn(C)nc2C)C2CC2)C1 ZINC001661169648 1080451181 /nfs/dbraw/zinc/45/11/81/1080451181.db2.gz YDGMUVRPDHCERZ-INIZCTEOSA-N 0 3 316.449 2.069 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H](OCC)C(C)C)C1 ZINC001481768659 1080484920 /nfs/dbraw/zinc/48/49/20/1080484920.db2.gz QZUGQVJGKIDUTD-IAGOWNOFSA-N 0 3 308.466 2.384 20 30 DEEDHN C[C@H](C#N)C(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001124901680 1080517928 /nfs/dbraw/zinc/51/79/28/1080517928.db2.gz BQZHZFWUXSJQOI-SECBINFHSA-N 0 3 300.189 2.359 20 30 DEEDHN C#CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001661866517 1080536235 /nfs/dbraw/zinc/53/62/35/1080536235.db2.gz PHEHLTTTXQFMFQ-CVEARBPZSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(COCC)CC1 ZINC001661976738 1080552286 /nfs/dbraw/zinc/55/22/86/1080552286.db2.gz GGUXHUWYTLJUAG-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CC)NCc1ccccn1 ZINC001481859615 1080553921 /nfs/dbraw/zinc/55/39/21/1080553921.db2.gz HSKCGHVBWQHIRQ-PVAVHDDUSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)NCc1ccccn1 ZINC001481859616 1080554263 /nfs/dbraw/zinc/55/42/63/1080554263.db2.gz HSKCGHVBWQHIRQ-XIRDDKMYSA-N 0 3 317.433 2.047 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)COc2ccccc2)C1 ZINC001662008543 1080559454 /nfs/dbraw/zinc/55/94/54/1080559454.db2.gz DVPVNWDATKMSBA-IRXDYDNUSA-N 0 3 314.429 2.305 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001662488666 1080611856 /nfs/dbraw/zinc/61/18/56/1080611856.db2.gz WTUVZOFUFGMPQW-AWEZNQCLSA-N 0 3 319.836 2.475 20 30 DEEDHN N#Cc1ccc(CNCc2ccc(-c3nncnn3)cc2)cc1 ZINC001662787635 1080655496 /nfs/dbraw/zinc/65/54/96/1080655496.db2.gz DUCYSVROIIPYOU-UHFFFAOYSA-N 0 3 302.341 2.095 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc2c1OCC2(C)C ZINC001268504017 1080663376 /nfs/dbraw/zinc/66/33/76/1080663376.db2.gz ZTWTWNULGGRWQW-UHFFFAOYSA-N 0 3 314.429 2.432 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cnn(C(C)C)c2C)C1 ZINC001662868456 1080668972 /nfs/dbraw/zinc/66/89/72/1080668972.db2.gz WTINGAVHJNEBBR-INIZCTEOSA-N 0 3 316.449 2.332 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001662862709 1080669015 /nfs/dbraw/zinc/66/90/15/1080669015.db2.gz ODIFXUDYIHGIHT-QGZVFWFLSA-N 0 3 324.428 2.202 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1snnc1C ZINC001662979784 1080682064 /nfs/dbraw/zinc/68/20/64/1080682064.db2.gz OVUSSSQOLHJAJJ-LLVKDONJSA-N 0 3 310.467 2.433 20 30 DEEDHN Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)c(C)s1 ZINC001482011943 1080685920 /nfs/dbraw/zinc/68/59/20/1080685920.db2.gz BCCDABZBBRYKSE-BPNCWPANSA-N 0 3 320.462 2.437 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)c2ccc(F)nc2)c1 ZINC001268518615 1080706693 /nfs/dbraw/zinc/70/66/93/1080706693.db2.gz JFLOANLCUFFSES-OWOJBTEDSA-N 0 3 324.359 2.168 20 30 DEEDHN CC(C)Oc1cccc(CNC/C=C\CNC(=O)[C@@H](C)C#N)c1 ZINC001268519933 1080708746 /nfs/dbraw/zinc/70/87/46/1080708746.db2.gz VLMBMHHANVAATF-XVWMLYKFSA-N 0 3 315.417 2.395 20 30 DEEDHN CCC(CC)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107293131 1080715984 /nfs/dbraw/zinc/71/59/84/1080715984.db2.gz 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/nfs/dbraw/zinc/74/90/16/1080749016.db2.gz QWKSGHQDFGKAEP-UHFFFAOYSA-N 0 3 302.418 2.351 20 30 DEEDHN C[C@H](CNC/C(Cl)=C/Cl)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482093904 1080796991 /nfs/dbraw/zinc/79/69/91/1080796991.db2.gz GVHLSSLJLBIMEZ-BABIGQSTSA-N 0 3 315.204 2.161 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1CCOc2c(F)cccc21)C1CC1 ZINC001663735641 1080808803 /nfs/dbraw/zinc/80/88/03/1080808803.db2.gz UFTZNPXHEJMVRJ-OAHLLOKOSA-N 0 3 318.392 2.458 20 30 DEEDHN O=C(CC(F)(F)C(F)F)NC/C=C\CNCCC(F)(F)F ZINC001268590701 1080837316 /nfs/dbraw/zinc/83/73/16/1080837316.db2.gz JCNHYLWSYNLSOZ-UPHRSURJSA-N 0 3 324.240 2.491 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001268627728 1080903177 /nfs/dbraw/zinc/90/31/77/1080903177.db2.gz JEYWAAYZZXZIIP-PLNGDYQASA-N 0 3 312.413 2.374 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)NCc2nccn2C)CC1 ZINC001664424690 1080907464 /nfs/dbraw/zinc/90/74/64/1080907464.db2.gz DCVVYKHKLIVWMM-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001268673961 1080927553 /nfs/dbraw/zinc/92/75/53/1080927553.db2.gz ISXYWTMXPXJHTN-ZIAGYGMSSA-N 0 3 322.836 2.188 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001664673875 1080940048 /nfs/dbraw/zinc/94/00/48/1080940048.db2.gz QWZYTQZQFIHBLA-XLAORIBOSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H]1CCN(Cc2oc(C)nc2C)C1 ZINC001664712551 1080948287 /nfs/dbraw/zinc/94/82/87/1080948287.db2.gz OJKGMRFCMUIHRV-MRXNPFEDSA-N 0 3 317.433 2.423 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](C)NC(=O)C#CC2CC2)cc1 ZINC001268729174 1080957222 /nfs/dbraw/zinc/95/72/22/1080957222.db2.gz DDROSIMPRKXEAY-CQSZACIVSA-N 0 3 300.402 2.045 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001665030004 1080985386 /nfs/dbraw/zinc/98/53/86/1080985386.db2.gz NRMGKOIXUWVHSH-GOSISDBHSA-N 0 3 316.445 2.402 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001268795919 1080995748 /nfs/dbraw/zinc/99/57/48/1080995748.db2.gz OBBLDZBCOHJTNR-UHFFFAOYSA-N 0 3 323.824 2.469 20 30 DEEDHN C#CCCCC(=O)NCC1CN(CCc2ccc(OC)cc2)C1 ZINC001268821739 1081008472 /nfs/dbraw/zinc/00/84/72/1081008472.db2.gz AIYYEDIVEASOBY-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C#C[C@H](CO)N[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC001665354346 1081018599 /nfs/dbraw/zinc/01/85/99/1081018599.db2.gz BJBWESRDWKDECM-GXSJLCMTSA-N 0 3 300.171 2.103 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COC/C=C\c2ccccc2)C1 ZINC001665553297 1081038998 /nfs/dbraw/zinc/03/89/98/1081038998.db2.gz BRYJDGRJMDNJDE-OTIVFRFGSA-N 0 3 314.429 2.483 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)COc2ccccc2C)C1 ZINC001665682048 1081063246 /nfs/dbraw/zinc/06/32/46/1081063246.db2.gz SYJRGCCYISFTRV-INIZCTEOSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ccc(C)nc2)C1 ZINC001665697138 1081066196 /nfs/dbraw/zinc/06/61/96/1081066196.db2.gz JATSKOGJNFBDHL-KRWDZBQOSA-N 0 3 317.433 2.129 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001665738651 1081074836 /nfs/dbraw/zinc/07/48/36/1081074836.db2.gz 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/nfs/dbraw/zinc/16/17/76/1081161776.db2.gz BUUNFLGQGMTGJS-INIZCTEOSA-N 0 3 308.447 2.004 20 30 DEEDHN CS[C@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666860490 1081187412 /nfs/dbraw/zinc/18/74/12/1081187412.db2.gz WVZFUQPCAMLDJP-HUUCEWRRSA-N 0 3 304.459 2.226 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC1CCCCC1 ZINC001666864991 1081187923 /nfs/dbraw/zinc/18/79/23/1081187923.db2.gz NGPGYNRDANCQQZ-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001269275516 1081193361 /nfs/dbraw/zinc/19/33/61/1081193361.db2.gz SMWZYCSLFDCGIA-SOLBZPMBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001269275595 1081193517 /nfs/dbraw/zinc/19/35/17/1081193517.db2.gz UCHRAOZBFMFCTP-OLZOCXBDSA-N 0 3 304.381 2.013 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CN[C@@H](CC)C(N)=O)CC(C)C)CC1 ZINC001667108035 1081212403 /nfs/dbraw/zinc/21/24/03/1081212403.db2.gz KSEBYPCHSFNMGE-HOTGVXAUSA-N 0 3 323.481 2.117 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001269332695 1081216718 /nfs/dbraw/zinc/21/67/18/1081216718.db2.gz RDAATYGFZJRZNM-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001667175231 1081220427 /nfs/dbraw/zinc/22/04/27/1081220427.db2.gz GEPVJBCWQNHOII-RHSMWYFYSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001269357268 1081226215 /nfs/dbraw/zinc/22/62/15/1081226215.db2.gz ZQQSSFYAHURYIJ-XJKSGUPXSA-N 0 3 318.465 2.297 20 30 DEEDHN O=C(C#CC1CC1)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001269411711 1081242846 /nfs/dbraw/zinc/24/28/46/1081242846.db2.gz QHKBXHUUXRZNRH-KRWDZBQOSA-N 0 3 312.388 2.465 20 30 DEEDHN C=CCCC[N@@H+](C)CCN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001667585078 1081266374 /nfs/dbraw/zinc/26/63/74/1081266374.db2.gz MZLPXCDHJVDVNH-UHFFFAOYSA-N 0 3 318.421 2.030 20 30 DEEDHN C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001667585078 1081266377 /nfs/dbraw/zinc/26/63/77/1081266377.db2.gz MZLPXCDHJVDVNH-UHFFFAOYSA-N 0 3 318.421 2.030 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1c[nH]nc1-c1ccccc1 ZINC001667603260 1081267281 /nfs/dbraw/zinc/26/72/81/1081267281.db2.gz DWPCHJNIVAWPGZ-UHFFFAOYSA-N 0 3 310.401 2.104 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2cccc(C(C)C)c2)CC1 ZINC001269518862 1081273595 /nfs/dbraw/zinc/27/35/95/1081273595.db2.gz QLBUMTBIWUIYLC-UHFFFAOYSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001667701266 1081276369 /nfs/dbraw/zinc/27/63/69/1081276369.db2.gz JJDCMEGOLNTFSX-HYBGQWMJSA-N 0 3 312.841 2.254 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccnc(C)n2)CCCC1 ZINC001482237086 1081330134 /nfs/dbraw/zinc/33/01/34/1081330134.db2.gz SZRPPKLWBIIHNR-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)C3(COC)CCCCC3)C2)C1 ZINC001269732609 1081347552 /nfs/dbraw/zinc/34/75/52/1081347552.db2.gz SUADRKWACHNSFK-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1(C3CC3)CC1)CC2 ZINC001482243543 1081368414 /nfs/dbraw/zinc/36/84/14/1081368414.db2.gz SUAPBTKBGGEYHG-UHFFFAOYSA-N 0 3 318.461 2.304 20 30 DEEDHN Cc1ccc(C(=O)NC/C=C\CNCc2cccc(C#N)c2)n1C ZINC001668701914 1081384255 /nfs/dbraw/zinc/38/42/55/1081384255.db2.gz GHPRMIJPSDOOML-ARJAWSKDSA-N 0 3 322.412 2.281 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C(=O)C(C)(C)C)cc1 ZINC001270054811 1081439398 /nfs/dbraw/zinc/43/93/98/1081439398.db2.gz LVNNAPCVDSYELW-UHFFFAOYSA-N 0 3 300.402 2.031 20 30 DEEDHN C#CCN(C(=O)CCCOC)C1CCN(CC=C(C)C)CC1 ZINC001270291286 1081494010 /nfs/dbraw/zinc/49/40/10/1081494010.db2.gz XRBPWSWUMSEWLK-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN COc1ccc(F)cc1CNC[C@H](C)N(C)C(=O)C#CC1CC1 ZINC001482280723 1081504820 /nfs/dbraw/zinc/50/48/20/1081504820.db2.gz IWCVTZPEIRWQFU-ZDUSSCGKSA-N 0 3 318.392 2.184 20 30 DEEDHN C#CCN(C(=O)C/C=C(\C)C=C)C1CCN(CCOC)CC1 ZINC001671487705 1081519372 /nfs/dbraw/zinc/51/93/72/1081519372.db2.gz SQFSPRRETMFQGI-FRKPEAEDSA-N 0 3 304.434 2.081 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(CNCc2nccn2C)C1 ZINC001671779007 1081538086 /nfs/dbraw/zinc/53/80/86/1081538086.db2.gz AUFLFYKSYSKSER-MSOLQXFVSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(C)CCN([C@@H](CC)C(N)=O)CC1 ZINC001671848825 1081542609 /nfs/dbraw/zinc/54/26/09/1081542609.db2.gz BSQWCCWOSJIFIA-GJZGRUSLSA-N 0 3 323.481 2.071 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC001671846807 1081542658 /nfs/dbraw/zinc/54/26/58/1081542658.db2.gz OPGZUYOIWWABKF-APWZRJJASA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(CCOC)CC2)C1 ZINC001671888032 1081546082 /nfs/dbraw/zinc/54/60/82/1081546082.db2.gz YVKJIYXEALVHJA-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2scnc2COC)C1 ZINC001671908386 1081548552 /nfs/dbraw/zinc/54/85/52/1081548552.db2.gz REVISCIDTGBDAX-MRXNPFEDSA-N 0 3 323.462 2.307 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)N(C)CC(F)(F)F)C1 ZINC001270625153 1081571835 /nfs/dbraw/zinc/57/18/35/1081571835.db2.gz 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C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3c(C)cccc3Cl)[C@@H]2C1 ZINC001276690084 1083550360 /nfs/dbraw/zinc/55/03/60/1083550360.db2.gz KPCDTGQQTXXPMT-PHZGNYQRSA-N 0 3 316.832 2.118 20 30 DEEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)N1Cc2cncnc2C1 ZINC001276885380 1083664097 /nfs/dbraw/zinc/66/40/97/1083664097.db2.gz JPBVJNSXQBGDDF-QAPCUYQASA-N 0 3 312.417 2.140 20 30 DEEDHN Cc1cc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(C#N)cc2)n(C)n1 ZINC001276960437 1083703089 /nfs/dbraw/zinc/70/30/89/1083703089.db2.gz IQPSKIDEDHCJPA-OALUTQOASA-N 0 3 321.428 2.453 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001276985602 1083720424 /nfs/dbraw/zinc/72/04/24/1083720424.db2.gz DZCLBTCGFRIXAT-KBPBESRZSA-N 0 3 316.392 2.205 20 30 DEEDHN N#CC1(NC(=O)[C@@H]2CC23CCN(Cc2ccncc2)CC3)CCC1 ZINC001277089772 1083769130 /nfs/dbraw/zinc/76/91/30/1083769130.db2.gz JGAQHGSXZUFFHS-INIZCTEOSA-N 0 3 324.428 2.246 20 30 DEEDHN C#CCN1c2ccccc2[C@]2(CCN(Cc3cncs3)C2)C1=O ZINC001272750771 1083781695 /nfs/dbraw/zinc/78/16/95/1083781695.db2.gz 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C=CCCCN1CCCC[C@H]1CNC(=O)c1snnc1C ZINC001491195342 1084147395 /nfs/dbraw/zinc/14/73/95/1084147395.db2.gz CKWYXMGZUUWACM-ZDUSSCGKSA-N 0 3 308.451 2.397 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCC)C[C@H]2OC)CCC1 ZINC001212393572 1084181424 /nfs/dbraw/zinc/18/14/24/1084181424.db2.gz RCAXPMFKBNTXGY-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NCC(C)C ZINC001277865357 1084183970 /nfs/dbraw/zinc/18/39/70/1084183970.db2.gz FQBWRWRDLXWREQ-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CC)CC(F)F)[C@H](OC)C1 ZINC001212401175 1084205376 /nfs/dbraw/zinc/20/53/76/1084205376.db2.gz HRAAINOOFZNCDY-JHJVBQTASA-N 0 3 304.381 2.059 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CSC(C)C)C2)C1 ZINC001671028829 1084216409 /nfs/dbraw/zinc/21/64/09/1084216409.db2.gz PIFFIYWVZDIWDL-QGZVFWFLSA-N 0 3 308.491 2.466 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001272813898 1084227655 /nfs/dbraw/zinc/22/76/55/1084227655.db2.gz 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DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@@H](O)C1 ZINC001083808207 1085019265 /nfs/dbraw/zinc/01/92/65/1085019265.db2.gz DGLKMYMZNAAKSR-WKULXVSPSA-N 0 3 320.477 2.330 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(F)cc2)C1 ZINC001486114652 1085071853 /nfs/dbraw/zinc/07/18/53/1085071853.db2.gz CYAAUHJQTNYAMR-WMLDXEAASA-N 0 3 302.393 2.361 20 30 DEEDHN Cc1cc(CNC[C@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)on1 ZINC001486200860 1085126601 /nfs/dbraw/zinc/12/66/01/1085126601.db2.gz PAOKBXYXSQXBFU-LSDHHAIUSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001486201360 1085126752 /nfs/dbraw/zinc/12/67/52/1085126752.db2.gz SFDXEDFJOLWAOB-CHWSQXEVSA-N 0 3 313.405 2.022 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1snnc1C ZINC000960245764 1085161927 /nfs/dbraw/zinc/16/19/27/1085161927.db2.gz KTUSHPKDUPHAOW-ZIAGYGMSSA-N 0 3 314.414 2.018 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc(C)cn1 ZINC000960253029 1085164837 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CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960627406 1085388609 /nfs/dbraw/zinc/38/86/09/1085388609.db2.gz POXGEDQMGZEVHA-IBGZPJMESA-N 0 3 321.424 2.394 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@H]([C@@H]3CCN(CCF)C3)C2)c1 ZINC000961135490 1085603478 /nfs/dbraw/zinc/60/34/78/1085603478.db2.gz GIQRSTOZHHYCFD-LSDHHAIUSA-N 0 3 318.396 2.030 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@]1(C)CCOC1)C2 ZINC000965615464 1085624973 /nfs/dbraw/zinc/62/49/73/1085624973.db2.gz QNGFSZHWUNMLNR-DBINIWSISA-N 0 3 312.841 2.183 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128242540 1085631472 /nfs/dbraw/zinc/63/14/72/1085631472.db2.gz SMRPLOKLUYYNHA-UHFFFAOYSA-N 0 3 305.378 2.403 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@@]13CCOC3)C2 ZINC000965747421 1085639823 /nfs/dbraw/zinc/63/98/23/1085639823.db2.gz CZCODRORCLPAJY-CDZPMVSRSA-N 0 3 324.852 2.183 20 30 DEEDHN C=CCN1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272983672 1085781390 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BUUJKZVOWFWPKO-QGZVFWFLSA-N 0 3 320.408 2.499 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1c(Cl)cncc1Cl ZINC001274330259 1091189069 /nfs/dbraw/zinc/18/90/69/1091189069.db2.gz APMWITSXELMCNL-PLNGDYQASA-N 0 3 312.200 2.287 20 30 DEEDHN CC#CCNCC=CCNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001274378136 1091213269 /nfs/dbraw/zinc/21/32/69/1091213269.db2.gz KWAQWIISRFADLZ-PLNGDYQASA-N 0 3 314.414 2.037 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2ccncc2)C(C)(C)C1 ZINC001274435538 1091240338 /nfs/dbraw/zinc/24/03/38/1091240338.db2.gz KGPBEHPTXYLJSW-KRWDZBQOSA-N 0 3 313.445 2.254 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc4n[nH]cc43)CC2)C1=O ZINC001273411287 1091270840 /nfs/dbraw/zinc/27/08/40/1091270840.db2.gz WPKPGWBTEZNWHJ-UHFFFAOYSA-N 0 3 322.412 2.011 20 30 DEEDHN C#CCN1c2ccccc2[C@]2(CCN(Cc3ccns3)C2)C1=O ZINC001274504163 1091273881 /nfs/dbraw/zinc/27/38/81/1091273881.db2.gz VTMAWDNMHWZEMB-GOSISDBHSA-N 0 3 323.421 2.267 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1ccc2ccccc2c1 ZINC001274527104 1091286578 /nfs/dbraw/zinc/28/65/78/1091286578.db2.gz UORKBGGFLJTNKK-SNAWJCMRSA-N 0 3 322.408 2.365 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN2C[C@H](O)c2ccccc2)C1=O ZINC001274561443 1091300076 /nfs/dbraw/zinc/30/00/76/1091300076.db2.gz RGRJLELEEWDXGB-PKOBYXMFSA-N 0 3 314.429 2.363 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(C#N)ccn3)CC2)C1=O ZINC001274579636 1091312050 /nfs/dbraw/zinc/31/20/50/1091312050.db2.gz QICWIVVJEFZAOX-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(C#N)ccn3)CC2)C1=O ZINC001274579635 1091312907 /nfs/dbraw/zinc/31/29/07/1091312907.db2.gz QICWIVVJEFZAOX-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001274613167 1091323626 /nfs/dbraw/zinc/32/36/26/1091323626.db2.gz RLDOJRBLRYJMOL-YOEHRIQHSA-N 0 3 320.408 2.497 20 30 DEEDHN Cc1cccnc1CN1CC[C@H](NC(=O)C#CC2CC2)C[C@@H]1C ZINC001274624898 1091333875 /nfs/dbraw/zinc/33/38/75/1091333875.db2.gz SVSXVJBZOFMKSA-RDJZCZTQSA-N 0 3 311.429 2.273 20 30 DEEDHN CN1CC[C@@]2(CCCN(Cc3ccc(C#N)s3)CC2)C1=O ZINC001274746956 1091396809 /nfs/dbraw/zinc/39/68/09/1091396809.db2.gz XBPPHDKVZWIDPD-MRXNPFEDSA-N 0 3 303.431 2.454 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)CCn1ccnc1)C(C)(C)C ZINC001411216405 1091430112 /nfs/dbraw/zinc/43/01/12/1091430112.db2.gz QEDHFQLFKGXHOO-CYBMUJFWSA-N 0 3 312.845 2.146 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3ccsc3Cl)C2)C1=O ZINC001274859564 1091450105 /nfs/dbraw/zinc/45/01/05/1091450105.db2.gz PRFVUWWOZIIBDT-OAHLLOKOSA-N 0 3 308.834 2.459 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCCN1CCOc1ccccc1 ZINC001493096014 1091475254 /nfs/dbraw/zinc/47/52/54/1091475254.db2.gz BGCZQPBMQKUFQD-KRWDZBQOSA-N 0 3 314.429 2.450 20 30 DEEDHN Cc1ccc(CN2CC3(C2)CCN(Cc2cc(C#N)n(C)c2)C3)[nH]1 ZINC001276074514 1091510435 /nfs/dbraw/zinc/51/04/35/1091510435.db2.gz WAAVNEGUCPNMTH-UHFFFAOYSA-N 0 3 323.444 2.241 20 30 DEEDHN N#Cc1cncc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c1 ZINC001275026841 1091517512 /nfs/dbraw/zinc/51/75/12/1091517512.db2.gz BXSTVXBGJYSBES-ROUUACIJSA-N 0 3 307.401 2.130 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001276123058 1091564662 /nfs/dbraw/zinc/56/46/62/1091564662.db2.gz VDOKFTKRUDGSOE-ZDUSSCGKSA-N 0 3 302.846 2.382 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccn(CC(C)C)n1 ZINC001275114945 1091565940 /nfs/dbraw/zinc/56/59/40/1091565940.db2.gz LXADHUBBPRCVMU-HNNXBMFYSA-N 0 3 304.438 2.262 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275128880 1091573156 /nfs/dbraw/zinc/57/31/56/1091573156.db2.gz UJUBEHMBEPVNOD-GJZGRUSLSA-N 0 3 304.459 2.274 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cn(CCC)nc1C ZINC001275151019 1091586154 /nfs/dbraw/zinc/58/61/54/1091586154.db2.gz SMQDPXWVEDNUNW-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CC[C@@H](C(=O)N1CCC[C@@H]1CN(C)CCO)c1ccccc1 ZINC001275167957 1091597235 /nfs/dbraw/zinc/59/72/35/1091597235.db2.gz TVZBYTBIZZSJRS-QZTJIDSGSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(C)(C)C)CCC1 ZINC001275297379 1091657617 /nfs/dbraw/zinc/65/76/17/1091657617.db2.gz JYBJWNIHRMYIMN-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001275424811 1091737325 /nfs/dbraw/zinc/73/73/25/1091737325.db2.gz QPKCNSDIKRZLAG-NWDGAFQWSA-N 0 3 318.421 2.122 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C2(C(F)(F)F)CC2)CC1 ZINC001273446025 1091768566 /nfs/dbraw/zinc/76/85/66/1091768566.db2.gz PHUMEDMVWIHSRC-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)COc2cccc(C(C)C)c2)C1 ZINC001490823952 1091770801 /nfs/dbraw/zinc/77/08/01/1091770801.db2.gz BBDNCODNDSLXMY-KRWDZBQOSA-N 0 3 314.429 2.403 20 30 DEEDHN CC[C@H](C)CCCCC(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001490825884 1091773457 /nfs/dbraw/zinc/77/34/57/1091773457.db2.gz RBFSYGSVIHDGGZ-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN(C)C[C@H](O)c1ccc(F)cc1 ZINC001275521506 1091828103 /nfs/dbraw/zinc/82/81/03/1091828103.db2.gz ROHGNCXOAAWJCU-BBRMVZONSA-N 0 3 308.397 2.262 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)C1 ZINC001490843860 1091855799 /nfs/dbraw/zinc/85/57/99/1091855799.db2.gz OXHGXAHGXUTXNP-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(COCCOC)C2 ZINC001273487211 1091877845 /nfs/dbraw/zinc/87/78/45/1091877845.db2.gz WCHZQTUHKPNQBP-KRWDZBQOSA-N 0 3 310.438 2.030 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001273498356 1091886533 /nfs/dbraw/zinc/88/65/33/1091886533.db2.gz GBPDXWZHXGKJDC-IAGOWNOFSA-N 0 3 320.477 2.313 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001273498355 1091886762 /nfs/dbraw/zinc/88/67/62/1091886762.db2.gz GBPDXWZHXGKJDC-DLBZAZTESA-N 0 3 320.477 2.313 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2occc2C)CC1 ZINC000948761273 1091920059 /nfs/dbraw/zinc/92/00/59/1091920059.db2.gz CIRCPLIPKNVRQQ-INIZCTEOSA-N 0 3 302.418 2.467 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccn(C)c2CC)CC1 ZINC000948779881 1091932789 /nfs/dbraw/zinc/93/27/89/1091932789.db2.gz WVOSRSGDGFHAGE-HNNXBMFYSA-N 0 3 301.434 2.147 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(CC#N)CC1 ZINC000948829397 1091960873 /nfs/dbraw/zinc/96/08/73/1091960873.db2.gz MJRCDGCMRZGFLE-IAGOWNOFSA-N 0 3 320.481 2.086 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2cscn2)CC1 ZINC000948836803 1091963200 /nfs/dbraw/zinc/96/32/00/1091963200.db2.gz PPNRVAQWHYQDQC-HNNXBMFYSA-N 0 3 305.447 2.022 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3cccc(CC)c3)C2)OCC1=O ZINC001273651650 1091975677 /nfs/dbraw/zinc/97/56/77/1091975677.db2.gz PBBWYGYIBJQMLZ-LJQANCHMSA-N 0 3 314.429 2.238 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc3nc[nH]c32)CC1 ZINC000948873783 1091976540 /nfs/dbraw/zinc/97/65/40/1091976540.db2.gz QGIRNCMDLMETOH-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ncn4ccccc34)C2)C1=O ZINC001273674024 1091988381 /nfs/dbraw/zinc/98/83/81/1091988381.db2.gz JTIDJHYHWBEVPM-IBGZPJMESA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]nc2-c2ccco2)CC1 ZINC001006439114 1092010448 /nfs/dbraw/zinc/01/04/48/1092010448.db2.gz XQCFTWYSNKWBHX-UHFFFAOYSA-N 0 3 314.389 2.392 20 30 DEEDHN C#CCCCC(=O)N1CCC(CC)(NCc2ccn(C)n2)CC1 ZINC001273750383 1092028845 /nfs/dbraw/zinc/02/88/45/1092028845.db2.gz PYADIZQNBINHKN-UHFFFAOYSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001275986141 1092442676 /nfs/dbraw/zinc/44/26/76/1092442676.db2.gz JBDPXPRVQACBBB-MAUKXSAKSA-N 0 3 302.418 2.315 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)c2cncs2)c1 ZINC001273880112 1092476681 /nfs/dbraw/zinc/47/66/81/1092476681.db2.gz WWAQBVQNHBVRBY-OWOJBTEDSA-N 0 3 312.398 2.091 20 30 DEEDHN C=CCCC(=O)NC/C=C/CN[C@H](C)C(=O)N1CCCCCC1 ZINC001273899808 1092491342 /nfs/dbraw/zinc/49/13/42/1092491342.db2.gz GPJWNYVTVHPIDZ-KXPUMZMLSA-N 0 3 321.465 2.006 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncccn1 ZINC001488673358 1092678180 /nfs/dbraw/zinc/67/81/80/1092678180.db2.gz YQKLEPRNIMKZOY-OAHLLOKOSA-N 0 3 302.422 2.369 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001488731398 1092710261 /nfs/dbraw/zinc/71/02/61/1092710261.db2.gz ZGXOXBUOCQNVKC-AKAXFMLLSA-N 0 3 303.381 2.009 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)COCCCC)C(C)(C)[C@H]21 ZINC001489081617 1092906424 /nfs/dbraw/zinc/90/64/24/1092906424.db2.gz KLQXSIAWZJKPJK-PVAVHDDUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1nonc1C ZINC001490311645 1093301638 /nfs/dbraw/zinc/30/16/38/1093301638.db2.gz JVEUNIYQHIWFQE-ZYHUDNBSSA-N 0 3 312.801 2.103 20 30 DEEDHN CC#CCN(CCCNC(=O)Cn1ccnc1C(C)C)C1CC1 ZINC001490387065 1093339018 /nfs/dbraw/zinc/33/90/18/1093339018.db2.gz DUIAREHPWOENGV-UHFFFAOYSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)COc2ccc(F)cc2F)CC1 ZINC001490409773 1093369003 /nfs/dbraw/zinc/36/90/03/1093369003.db2.gz QITAJUOIUANOBL-UHFFFAOYSA-N 0 3 324.371 2.452 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC001490437409 1093382238 /nfs/dbraw/zinc/38/22/38/1093382238.db2.gz SSXDVFBOBSJGBK-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001490565342 1093421135 /nfs/dbraw/zinc/42/11/35/1093421135.db2.gz JAYBEOPAPDKFLD-QWHCGFSZSA-N 0 3 323.462 2.448 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)CC(C)(C)C)CC1 ZINC001490587725 1093432385 /nfs/dbraw/zinc/43/23/85/1093432385.db2.gz KQNBZXNJGWIDGK-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](CN(C)C[C@@H](F)CC)C1 ZINC001490751255 1093505071 /nfs/dbraw/zinc/50/50/71/1093505071.db2.gz FHGZKTMVUUNIKH-CABCVRRESA-N 0 3 300.418 2.108 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cccc(Br)c1F ZINC001252450398 1093555498 /nfs/dbraw/zinc/55/54/98/1093555498.db2.gz AIDOEUIIJUBAIO-LLVKDONJSA-N 0 3 318.186 2.241 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(O)ccc1C)CC2 ZINC001274109281 1093801825 /nfs/dbraw/zinc/80/18/25/1093801825.db2.gz FTFWWAAYWKRUMX-QGZVFWFLSA-N 0 3 312.413 2.052 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001720092828 1138203448 /nfs/dbraw/zinc/20/34/48/1138203448.db2.gz UIOIKDJGAYKJDD-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CCN(c2cc(CN3CCC(S)CC3)ccc2F)CC1 ZINC001236973568 1138472350 /nfs/dbraw/zinc/47/23/50/1138472350.db2.gz MAMIJAZGOXFPAN-UHFFFAOYSA-N 0 3 323.481 2.472 20 30 DEEDHN N#CC1(NC(=O)[C@@H]2CC23CN(CCc2ccccc2)C3)CCC1 ZINC001278169043 1138812714 /nfs/dbraw/zinc/81/27/14/1138812714.db2.gz ZDIDKWCDFZQOSQ-INIZCTEOSA-N 0 3 309.413 2.113 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCO[C@H](CC)C1)C1CCN(CC=C)CC1 ZINC001278194530 1138826389 /nfs/dbraw/zinc/82/63/89/1138826389.db2.gz PTPBVRSFKPZISA-SJLPKXTDSA-N 0 3 318.461 2.304 20 30 DEEDHN CCN(CCN1CCOCC1)Cc1ccc(Cl)c(C#N)c1 ZINC001238192916 1138833965 /nfs/dbraw/zinc/83/39/65/1138833965.db2.gz WJAUSSACXMKLLT-UHFFFAOYSA-N 0 3 307.825 2.366 20 30 DEEDHN C#CCNC[C@H](NC(=O)[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC001278207353 1138837025 /nfs/dbraw/zinc/83/70/25/1138837025.db2.gz PVSGWLVDRJUDJI-OALUTQOASA-N 0 3 322.408 2.399 20 30 DEEDHN C=CC1(CC(=O)NCCNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001292966542 1138878798 /nfs/dbraw/zinc/87/87/98/1138878798.db2.gz NCLAZQFLNDEPHL-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001316652600 1138889627 /nfs/dbraw/zinc/88/96/27/1138889627.db2.gz SUQZCDMPRXQPHC-UONOGXRCSA-N 0 3 323.462 2.029 20 30 DEEDHN CCCCCCCCCNC(=S)N[C@H]1CCOC12CNC2 ZINC001239363358 1139029134 /nfs/dbraw/zinc/02/91/34/1139029134.db2.gz MRTGRSUKDKSSPV-AWEZNQCLSA-N 0 3 313.511 2.332 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)CN(C)C(C)C ZINC001294358896 1139137979 /nfs/dbraw/zinc/13/79/79/1139137979.db2.gz HSGRUAOVHLVZEX-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN Cc1nn(C)cc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240301871 1139324933 /nfs/dbraw/zinc/32/49/33/1139324933.db2.gz USPBDCFVMHKMCO-LLVKDONJSA-N 0 3 313.361 2.134 20 30 DEEDHN Cc1nc(C#N)cc(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC001240398136 1139358369 /nfs/dbraw/zinc/35/83/69/1139358369.db2.gz PQVGHXWDWUCKLX-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4ccc(C#N)nn4)cc3)CC2)CC1 ZINC001240567429 1139427444 /nfs/dbraw/zinc/42/74/44/1139427444.db2.gz HWXCIWDLWOATLM-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001296442021 1139787500 /nfs/dbraw/zinc/78/75/00/1139787500.db2.gz VWVKEBXTMZHWGG-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](OCC)C(C)C)C2 ZINC001278334695 1139845805 /nfs/dbraw/zinc/84/58/05/1139845805.db2.gz DRDKEBXTHZKLDZ-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NCC(=O)N1CCCCCC1 ZINC001491577185 1140170691 /nfs/dbraw/zinc/17/06/91/1140170691.db2.gz AEZNMLNNJULABH-YJBOKZPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001491794406 1140312377 /nfs/dbraw/zinc/31/23/77/1140312377.db2.gz BTLHIEOFKDAQQL-INIZCTEOSA-N 0 3 316.449 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001318443327 1140330893 /nfs/dbraw/zinc/33/08/93/1140330893.db2.gz VVUZDKANEDIMRN-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCc2nc(CC)no2)C1 ZINC001318445717 1140331594 /nfs/dbraw/zinc/33/15/94/1140331594.db2.gz PKJGSBMVCQQTRQ-CQSZACIVSA-N 0 3 320.437 2.064 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1(CNCC(=C)Cl)CCCC1 ZINC001318627145 1140375419 /nfs/dbraw/zinc/37/54/19/1140375419.db2.gz IAXRGHJKLGYRLB-CQSZACIVSA-N 0 3 300.830 2.085 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CCOCC)C2)cc1 ZINC001318479601 1140344061 /nfs/dbraw/zinc/34/40/61/1140344061.db2.gz RSAICSYZQJYZNN-GOSISDBHSA-N 0 3 314.429 2.241 20 30 DEEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)NCc1cccc(OC)n1 ZINC001318525852 1140359373 /nfs/dbraw/zinc/35/93/73/1140359373.db2.gz ZACJMZRNMUHRBZ-CQSZACIVSA-N 0 3 317.433 2.124 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001318567929 1140365963 /nfs/dbraw/zinc/36/59/63/1140365963.db2.gz SVIRKNWHGUZHJH-UHFFFAOYSA-N 0 3 318.377 2.017 20 30 DEEDHN Cc1csc(CNCC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001318778454 1140413650 /nfs/dbraw/zinc/41/36/50/1140413650.db2.gz DTRROYOPVXKGAT-JSGCOSHPSA-N 0 3 320.462 2.330 20 30 DEEDHN Cc1oncc1CNCC[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001318793651 1140419077 /nfs/dbraw/zinc/41/90/77/1140419077.db2.gz JPOWAVSBNOCPGI-MRXNPFEDSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](C)CN[C@H](C)c1cnccn1 ZINC001319229304 1140529552 /nfs/dbraw/zinc/52/95/52/1140529552.db2.gz NIYCNCYLKWQAJQ-LSDHHAIUSA-N 0 3 302.422 2.073 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1cnc(C)cn1 ZINC001319241373 1140533440 /nfs/dbraw/zinc/53/34/40/1140533440.db2.gz AQXKKMJMNMGZKX-CYBMUJFWSA-N 0 3 304.438 2.229 20 30 DEEDHN C=CCCCC(=O)NCC1(NCc2cncn2C)CCCC1 ZINC001319372320 1140558098 /nfs/dbraw/zinc/55/80/98/1140558098.db2.gz HOGDTJDNWGFZNH-UHFFFAOYSA-N 0 3 304.438 2.295 20 30 DEEDHN C#CCCCC(=O)N1CCC2(CN(CCOCC3CC3)C2)CC1 ZINC001319398552 1140563294 /nfs/dbraw/zinc/56/32/94/1140563294.db2.gz VXKIVSBNVMRNNA-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCCCC(=O)N1CCC2(CN([C@@H](C)COC)C2)CC1 ZINC001319405316 1140565162 /nfs/dbraw/zinc/56/51/62/1140565162.db2.gz MZFNVWOXIBWOMD-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCC(=O)N1CCCC[C@@H]1C ZINC001319512105 1140605942 /nfs/dbraw/zinc/60/59/42/1140605942.db2.gz VDOFNTYTDXDMAK-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN COC[C@H](C)CC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319550550 1140615017 /nfs/dbraw/zinc/61/50/17/1140615017.db2.gz GYNXWJUKRXYNPX-IAGOWNOFSA-N 0 3 316.445 2.147 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(CCN(C)[C@@H](C)C(N)=O)CC1 ZINC001319888341 1140800375 /nfs/dbraw/zinc/80/03/75/1140800375.db2.gz OGRRPZCSUTWYRZ-AWEZNQCLSA-N 0 3 323.481 2.023 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(OCC)c(OC)c1 ZINC001320080242 1140818679 /nfs/dbraw/zinc/81/86/79/1140818679.db2.gz JGYUDGLNTFZKQA-UHFFFAOYSA-N 0 3 318.417 2.121 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001320084348 1140819740 /nfs/dbraw/zinc/81/97/40/1140819740.db2.gz HYDVJIBHRLZYHY-MRXNPFEDSA-N 0 3 316.445 2.287 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=S)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC001245916390 1140831334 /nfs/dbraw/zinc/83/13/34/1140831334.db2.gz XYYWODHBIYXTSA-HIFRSBDPSA-N 0 3 300.431 2.281 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1ccc(C)n1C ZINC001320673643 1140892922 /nfs/dbraw/zinc/89/29/22/1140892922.db2.gz HLGAGTKWFXIULY-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC[C@@H]3CCCCO3)CCC[C@@H]12 ZINC001278459007 1141013779 /nfs/dbraw/zinc/01/37/79/1141013779.db2.gz HMHBKBCHGOXLPU-LZLYRXPVSA-N 0 3 304.434 2.082 20 30 DEEDHN C/C=C(/C)C(=O)NC/C=C/CNCc1ccc(OC)c(C#N)c1 ZINC001321014792 1141031098 /nfs/dbraw/zinc/03/10/98/1141031098.db2.gz SKHPAPLEPDWSGY-USWWSJKUSA-N 0 3 313.401 2.295 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001321252161 1141098716 /nfs/dbraw/zinc/09/87/16/1141098716.db2.gz NKSHYMUKKMMWLQ-DSLCMKTCSA-N 0 3 318.392 2.179 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC001321379336 1141217039 /nfs/dbraw/zinc/21/70/39/1141217039.db2.gz XUBPSVQROHLVRS-MOEXGYKKSA-N 0 3 300.402 2.048 20 30 DEEDHN Cc1cc(-c2noc([C@H]3CNCc4ccnn4C3)n2)ccc1C#N ZINC001247136282 1141304559 /nfs/dbraw/zinc/30/45/59/1141304559.db2.gz FLOJLHKZNFDRKC-AWEZNQCLSA-N 0 3 320.356 2.000 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001322160626 1141421391 /nfs/dbraw/zinc/42/13/91/1141421391.db2.gz NXHPIFNJMASLRW-ZDUSSCGKSA-N 0 3 303.406 2.190 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001322815913 1141726157 /nfs/dbraw/zinc/72/61/57/1141726157.db2.gz JJXBTLWDKPIECD-UHFFFAOYSA-N 0 3 320.824 2.296 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001323277100 1141835899 /nfs/dbraw/zinc/83/58/99/1141835899.db2.gz KAYAPDBZYNNVNF-KBPBESRZSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001323434776 1141853469 /nfs/dbraw/zinc/85/34/69/1141853469.db2.gz FIYUOIPBDUXXEV-KRWDZBQOSA-N 0 3 302.418 2.061 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@@H](O)COc2ccccc2Cl)C1 ZINC001323727066 1141881213 /nfs/dbraw/zinc/88/12/13/1141881213.db2.gz FQXPJNHVJUTMFH-KGLIPLIRSA-N 0 3 311.809 2.357 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](CCC)OCC)C2)C1 ZINC001323858843 1141893875 /nfs/dbraw/zinc/89/38/75/1141893875.db2.gz GLYGKPYIYDZDQQ-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2nccn2C)C[C@@H]1C ZINC001324069048 1141998749 /nfs/dbraw/zinc/99/87/49/1141998749.db2.gz XSDCSEBYIGKBMO-GJZGRUSLSA-N 0 3 318.465 2.492 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNCC(=O)NC(C)(C)C ZINC001324226435 1142035938 /nfs/dbraw/zinc/03/59/38/1142035938.db2.gz RVVMOFUCPFCQME-RDTXWAMCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)NC1(C)CCN(CCOC[C@H]2CCCO2)CC1 ZINC001324301055 1142050729 /nfs/dbraw/zinc/05/07/29/1142050729.db2.gz GOGCNIANXHQPLS-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)C3(CCC)CCC3)CC2)C1 ZINC001324560973 1142105347 /nfs/dbraw/zinc/10/53/47/1142105347.db2.gz SFBOFLVNHHIYRF-QGZVFWFLSA-N 0 3 319.493 2.361 20 30 DEEDHN C#CCCCCC(=O)N[C@@]1(C)CCN(CCc2ccns2)C1 ZINC001324608047 1142146473 /nfs/dbraw/zinc/14/64/73/1142146473.db2.gz NKIAYGDQPOKCGW-KRWDZBQOSA-N 0 3 319.474 2.460 20 30 DEEDHN C#CCCCCC(=O)N[C@]1(C)CCN(CCc2ccns2)C1 ZINC001324608049 1142146891 /nfs/dbraw/zinc/14/68/91/1142146891.db2.gz NKIAYGDQPOKCGW-QGZVFWFLSA-N 0 3 319.474 2.460 20 30 DEEDHN N=C(NC[C@@H](O)COc1ccc(Cl)cc1)c1ccc(F)cn1 ZINC001250684709 1142266482 /nfs/dbraw/zinc/26/64/82/1142266482.db2.gz YFFTUNRBQFAXFY-GFCCVEGCSA-N 0 3 323.755 2.019 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CCCO[C@@H](C(=O)OC)C1 ZINC001252133808 1142650308 /nfs/dbraw/zinc/65/03/08/1142650308.db2.gz SLSSNQYVGCVRSZ-JKSUJKDBSA-N 0 3 315.454 2.362 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001278658427 1142681733 /nfs/dbraw/zinc/68/17/33/1142681733.db2.gz FXEHRPNUVMJAHG-WMZOPIPTSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCOC[C@H](O)CNc1ccncc1Oc1ccccc1 ZINC001252454103 1142718999 /nfs/dbraw/zinc/71/89/99/1142718999.db2.gz NJOSOTQQPIZQRK-CQSZACIVSA-N 0 3 300.358 2.271 20 30 DEEDHN C=CCOC[C@H](O)CN1CC2(CC(OCc3ccccc3)C2)C1 ZINC001252469916 1142723224 /nfs/dbraw/zinc/72/32/24/1142723224.db2.gz DUSNKCDNNBSYOL-QGZVFWFLSA-N 0 3 317.429 2.231 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cc(C(F)(F)F)ccc1F ZINC001252483372 1142730634 /nfs/dbraw/zinc/73/06/34/1142730634.db2.gz UDKUSORWTQROOK-GFCCVEGCSA-N 0 3 307.287 2.498 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc3nccn32)C1 ZINC001278668561 1142732576 /nfs/dbraw/zinc/73/25/76/1142732576.db2.gz OVOFODITXVZOBY-LJQANCHMSA-N 0 3 324.428 2.190 20 30 DEEDHN C=CCOC[C@@H](O)CN[C@H](C)c1ccc(Br)cn1 ZINC001252494503 1142734984 /nfs/dbraw/zinc/73/49/84/1142734984.db2.gz YSYOICZSMHLPCL-PWSUYJOCSA-N 0 3 315.211 2.058 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)[C@@H](C)C2CCCC2)CC1(C)C ZINC001278676322 1142804821 /nfs/dbraw/zinc/80/48/21/1142804821.db2.gz DTXRLBHSUHCEGE-RDJZCZTQSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCc2cscn2)C1 ZINC001278693890 1142840692 /nfs/dbraw/zinc/84/06/92/1142840692.db2.gz SGENXYWOHXEZCJ-QGZVFWFLSA-N 0 3 319.474 2.317 20 30 DEEDHN C=CCCCCCC[C@H](O)CNC1CN(c2cnccn2)C1 ZINC001253252086 1142857081 /nfs/dbraw/zinc/85/70/81/1142857081.db2.gz QZWIMPBUXDIXQA-INIZCTEOSA-N 0 3 304.438 2.142 20 30 DEEDHN CC(C)OC[C@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001338520060 1142861553 /nfs/dbraw/zinc/86/15/53/1142861553.db2.gz ISVIUVDWHQRQOW-OAHLLOKOSA-N 0 3 315.335 2.432 20 30 DEEDHN C=C[C@H](O)CNC[C@]1(F)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253598942 1142883491 /nfs/dbraw/zinc/88/34/91/1142883491.db2.gz BRKRSWNKWMGQCT-XJKSGUPXSA-N 0 3 316.417 2.252 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1CCN([C@H](C)CC)CC1 ZINC001338957381 1142895415 /nfs/dbraw/zinc/89/54/15/1142895415.db2.gz RGNVHXGIMXMFNR-GFCCVEGCSA-N 0 3 313.396 2.192 20 30 DEEDHN CCOC(=O)C[C@H](O)CN1CCC(C#Cc2ccccc2)CC1 ZINC001253800275 1142940203 /nfs/dbraw/zinc/94/02/03/1142940203.db2.gz ZPSVZLIDQFTLJO-SFHVURJKSA-N 0 3 315.413 2.064 20 30 DEEDHN C#CC[C@@H](CC)c1nnc(N2CCN(C3CCCC3)CC2)n1C ZINC001339330842 1143012844 /nfs/dbraw/zinc/01/28/44/1143012844.db2.gz VWQDNEKGGOZCQX-OAHLLOKOSA-N 0 3 315.465 2.397 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC001339892652 1143164176 /nfs/dbraw/zinc/16/41/76/1143164176.db2.gz IHXSEGRERULHQM-QGZVFWFLSA-N 0 3 315.417 2.468 20 30 DEEDHN CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CC[C@@H](C#N)C1 ZINC001254659555 1143300219 /nfs/dbraw/zinc/30/02/19/1143300219.db2.gz AXJDMFACSIFJTO-QLFBSQMISA-N 0 3 323.437 2.246 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)N3CCCCC3)CC2)C1 ZINC001254676221 1143310199 /nfs/dbraw/zinc/31/01/99/1143310199.db2.gz JEYMIEBEWFITBI-GDBMZVCRSA-N 0 3 304.438 2.339 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2CCC(NC(=O)N3CCCCC3)CC2)C1 ZINC001254676222 1143310554 /nfs/dbraw/zinc/31/05/54/1143310554.db2.gz JEYMIEBEWFITBI-GOEBONIOSA-N 0 3 304.438 2.339 20 30 DEEDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)[C@@H]1CC[C@H](C#N)C1 ZINC001254680221 1143311428 /nfs/dbraw/zinc/31/14/28/1143311428.db2.gz VAFHSHHWYPZXGM-XGUBFFRZSA-N 0 3 323.437 2.245 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@@]1(O)CCN(CC=C)C1)c1ccccc1 ZINC001278829099 1143371750 /nfs/dbraw/zinc/37/17/50/1143371750.db2.gz VBTBYFWZRYAGAY-HKUYNNGSSA-N 0 3 314.429 2.085 20 30 DEEDHN CC[C@H](CC#N)NC[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255152279 1143449529 /nfs/dbraw/zinc/44/95/29/1143449529.db2.gz QDIDBDQVRJKRBE-JJRVBVJISA-N 0 3 323.437 2.152 20 30 DEEDHN CC[C@@H](CC#N)N[C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255162430 1143452962 /nfs/dbraw/zinc/45/29/62/1143452962.db2.gz PHTXVFGMKAXHEM-XQLPTFJDSA-N 0 3 323.437 2.435 20 30 DEEDHN CC[C@H](CC#N)N1C[C@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC001255169883 1143464057 /nfs/dbraw/zinc/46/40/57/1143464057.db2.gz LFTZHFCFSVMRER-HZPDHXFCSA-N 0 3 319.449 2.030 20 30 DEEDHN C#C[C@H]1CCCCN1c1nnc([C@@H]2CCCN(C)C2)n1CC ZINC001341149384 1143550720 /nfs/dbraw/zinc/55/07/20/1143550720.db2.gz ZSSSRVSNQDERLG-CABCVRRESA-N 0 3 301.438 2.099 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001341316820 1143582265 /nfs/dbraw/zinc/58/22/65/1143582265.db2.gz DWLGRSBTRSVGHW-GXTWGEPZSA-N 0 3 305.378 2.498 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC001341446934 1143606263 /nfs/dbraw/zinc/60/62/63/1143606263.db2.gz SOXPAMRLMWLWQG-IRXDYDNUSA-N 0 3 312.417 2.424 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@@H]1CNCCN1C)c1ccccc1 ZINC001341606304 1143638852 /nfs/dbraw/zinc/63/88/52/1143638852.db2.gz AGQWPAIDIKKSPC-IRXDYDNUSA-N 0 3 301.434 2.104 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1nccn2ccnc12)C(C)C ZINC001278918107 1143833895 /nfs/dbraw/zinc/83/38/95/1143833895.db2.gz MVTSJLWKPJKMFQ-UHFFFAOYSA-N 0 3 315.421 2.088 20 30 DEEDHN COc1cccc(N2CCN(C3CCC(C#N)CC3)CC2)n1 ZINC001256973544 1143877524 /nfs/dbraw/zinc/87/75/24/1143877524.db2.gz SIAXSTJKRMIVBC-UHFFFAOYSA-N 0 3 300.406 2.295 20 30 DEEDHN CN(C)Cc1cccc(C(=O)N[C@@H](CNCC#N)C(C)(C)C)c1 ZINC001279033698 1143946608 /nfs/dbraw/zinc/94/66/08/1143946608.db2.gz CFDNZJCBTOONTF-INIZCTEOSA-N 0 3 316.449 2.006 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H]([C@H](C)NCc2cscn2)C1 ZINC001279045438 1143953300 /nfs/dbraw/zinc/95/33/00/1143953300.db2.gz KSLBUSDKIFBHMJ-KBPBESRZSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001259936977 1144161278 /nfs/dbraw/zinc/16/12/78/1144161278.db2.gz WMDFFQLGOJSFMM-WBVHZDCISA-N 0 3 322.474 2.250 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCSC[C@H]1C ZINC001262941735 1144343628 /nfs/dbraw/zinc/34/36/28/1144343628.db2.gz SJEOBXDOHKBEAN-KGLIPLIRSA-N 0 3 321.494 2.215 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001263083241 1144354060 /nfs/dbraw/zinc/35/40/60/1144354060.db2.gz GPSDLEXTQKFGRA-CABCVRRESA-N 0 3 323.481 2.071 20 30 DEEDHN C=CC[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2N)c1ccncc1 ZINC001263100673 1144355668 /nfs/dbraw/zinc/35/56/68/1144355668.db2.gz UOHBDUJMMUEIBS-ZIAGYGMSSA-N 0 3 311.389 2.119 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)Cc1ncccc1F ZINC001263806642 1144396373 /nfs/dbraw/zinc/39/63/73/1144396373.db2.gz DFYLVOOHCUQKQP-CQSZACIVSA-N 0 3 305.397 2.262 20 30 DEEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1ccccn1 ZINC001263852972 1144411229 /nfs/dbraw/zinc/41/12/29/1144411229.db2.gz CHHMLQGMNFCCKT-IYARVYRRSA-N 0 3 319.408 2.231 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ncc[nH]1 ZINC001263953879 1144431025 /nfs/dbraw/zinc/43/10/25/1144431025.db2.gz ZCVPQMXFMPOYBN-AAEUAGOBSA-N 0 3 310.829 2.383 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC001264080800 1144459411 /nfs/dbraw/zinc/45/94/11/1144459411.db2.gz WJEFZGSACOMLRA-SFHVURJKSA-N 0 3 316.445 2.091 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H](OCC)C(C)C)C[C@@H]2C1 ZINC001264090861 1144461841 /nfs/dbraw/zinc/46/18/41/1144461841.db2.gz GVCNSBAFMOQPTP-FGTMMUONSA-N 0 3 320.477 2.241 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001264111768 1144469549 /nfs/dbraw/zinc/46/95/49/1144469549.db2.gz YDBYKQDKSWLCAO-UHFFFAOYSA-N 0 3 322.371 2.005 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1C[C@@H]1CC(C)(C)CO1 ZINC001264140431 1144482682 /nfs/dbraw/zinc/48/26/82/1144482682.db2.gz FUSBEOGIDLYOIQ-PMPSAXMXSA-N 0 3 320.477 2.430 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccncc2)CC(C)(C)C1 ZINC001264194642 1144503901 /nfs/dbraw/zinc/50/39/01/1144503901.db2.gz CQWOROIATISJGQ-KRWDZBQOSA-N 0 3 313.445 2.254 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN([C@H](C)C(=O)NC)CC(C)(C)C1 ZINC001264195148 1144504825 /nfs/dbraw/zinc/50/48/25/1144504825.db2.gz NFJOHUYEEXQNPJ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001264365419 1144514132 /nfs/dbraw/zinc/51/41/32/1144514132.db2.gz XJUVVNCCAXCRME-AWEZNQCLSA-N 0 3 304.438 2.475 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001264387598 1144525193 /nfs/dbraw/zinc/52/51/93/1144525193.db2.gz TUTQPSFZYYOWAA-BETUJISGSA-N 0 3 319.453 2.053 20 30 DEEDHN CC(C)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001264414570 1144533470 /nfs/dbraw/zinc/53/34/70/1144533470.db2.gz IXVWJKMMKODCRD-JCNLHEQBSA-N 0 3 302.393 2.318 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2cc(OC)no2)C1 ZINC001264473574 1144544737 /nfs/dbraw/zinc/54/47/37/1144544737.db2.gz PBXPDMYZJFHVAL-QWHCGFSZSA-N 0 3 321.421 2.270 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001264667563 1144587716 /nfs/dbraw/zinc/58/77/16/1144587716.db2.gz GBOAQHFHXUVJTM-IAGOWNOFSA-N 0 3 308.466 2.243 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cc2occc2s1 ZINC001264666163 1144587835 /nfs/dbraw/zinc/58/78/35/1144587835.db2.gz GVNYDOFNPOMVGG-UHFFFAOYSA-N 0 3 320.414 2.148 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC001264984776 1144620046 /nfs/dbraw/zinc/62/00/46/1144620046.db2.gz AKBGPOFMUNDNQA-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001265219701 1144669508 /nfs/dbraw/zinc/66/95/08/1144669508.db2.gz AHVTXFMAEHFNKF-ZBFHGGJFSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccc(F)c(F)c2)C1 ZINC001265321661 1144693280 /nfs/dbraw/zinc/69/32/80/1144693280.db2.gz OGDRGOPHPXSREO-LBPRGKRZSA-N 0 3 310.344 2.110 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001265394749 1144701778 /nfs/dbraw/zinc/70/17/78/1144701778.db2.gz IJPVWIYNENPEED-INIZCTEOSA-N 0 3 318.465 2.447 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)COCC1CC1 ZINC001265401920 1144702250 /nfs/dbraw/zinc/70/22/50/1144702250.db2.gz HBLJLRMJXKNZPM-BHYGNILZSA-N 0 3 306.450 2.443 20 30 DEEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(C)=O ZINC001265402446 1144702284 /nfs/dbraw/zinc/70/22/84/1144702284.db2.gz PUBQMMIDYDNZAL-CALCHBBNSA-N 0 3 323.481 2.110 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](NC[C@@H](F)CC)C2)CCOCC1 ZINC001265457356 1144705132 /nfs/dbraw/zinc/70/51/32/1144705132.db2.gz WQYIXFDVNHNWAR-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](NCc2ccns2)C1)OCC ZINC001265479972 1144706334 /nfs/dbraw/zinc/70/63/34/1144706334.db2.gz HOGPLQAPZFEFIU-YDHLFZDLSA-N 0 3 323.462 2.251 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCc2cnoc2C)C1 ZINC001265490679 1144706973 /nfs/dbraw/zinc/70/69/73/1144706973.db2.gz JCQPLDTUIXQSHZ-WKILWMFISA-N 0 3 303.406 2.304 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001265586863 1144715603 /nfs/dbraw/zinc/71/56/03/1144715603.db2.gz QBIYIMOCTVOPSX-CQSZACIVSA-N 0 3 320.383 2.277 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001265607245 1144717481 /nfs/dbraw/zinc/71/74/81/1144717481.db2.gz LQCMWELJYUZDJY-INIZCTEOSA-N 0 3 316.449 2.035 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001265609501 1144717629 /nfs/dbraw/zinc/71/76/29/1144717629.db2.gz QRGBCRDCVBUSHH-HZPDHXFCSA-N 0 3 314.433 2.025 20 30 DEEDHN C=CCCC[NH2+]C1CCC(NC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001265739008 1144736269 /nfs/dbraw/zinc/73/62/69/1144736269.db2.gz VECOFTFQCCXEAQ-UHFFFAOYSA-N 0 3 318.421 2.087 20 30 DEEDHN C[C@@H](CNC(=O)C=C1CCC1)NCc1ccc(F)c(C#N)c1 ZINC001265766331 1144738916 /nfs/dbraw/zinc/73/89/16/1144738916.db2.gz HJGRNRBVMFUKMF-LBPRGKRZSA-N 0 3 301.365 2.402 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001265816151 1144743386 /nfs/dbraw/zinc/74/33/86/1144743386.db2.gz PUNONNPCOZTNDN-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001265914151 1144756549 /nfs/dbraw/zinc/75/65/49/1144756549.db2.gz FFLTXNLBIPOYJD-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001265936255 1144763037 /nfs/dbraw/zinc/76/30/37/1144763037.db2.gz KAWRYUJHYMERAX-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(COC)cc2)C1 ZINC001266120397 1144807380 /nfs/dbraw/zinc/80/73/80/1144807380.db2.gz YHWORGDODVARIL-SFHVURJKSA-N 0 3 314.429 2.393 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C1CCN(CC#CC)CC1 ZINC001279129874 1144818783 /nfs/dbraw/zinc/81/87/83/1144818783.db2.gz SYBSLDLJEUAOGA-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(N[C@@H](C)c2cnccn2)C1 ZINC001279280396 1144820103 /nfs/dbraw/zinc/82/01/03/1144820103.db2.gz JITOGIUCKQQUAJ-NFOMZHRRSA-N 0 3 302.422 2.473 20 30 DEEDHN C=C(Br)CNCC[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001279928366 1144829371 /nfs/dbraw/zinc/82/93/71/1144829371.db2.gz DGBHFFAYYIHVPZ-LLVKDONJSA-N 0 3 301.228 2.133 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC001279989326 1144830454 /nfs/dbraw/zinc/83/04/54/1144830454.db2.gz AXLFXPGJJKKKGW-LBPRGKRZSA-N 0 3 311.788 2.415 20 30 DEEDHN COC[C@H](C)N(C)Cc1ccccc1CNC(=O)C#CC1CC1 ZINC001280324351 1144835715 /nfs/dbraw/zinc/83/57/15/1144835715.db2.gz GIMSRKQUCMLQEU-HNNXBMFYSA-N 0 3 314.429 2.183 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H](CC)OC)cc1 ZINC001280340058 1144835871 /nfs/dbraw/zinc/83/58/71/1144835871.db2.gz GFGHKYVKWZNTIT-PBHICJAKSA-N 0 3 302.418 2.402 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@H]2CCCOC2)cc1 ZINC001280357143 1144836414 /nfs/dbraw/zinc/83/64/14/1144836414.db2.gz SUCDIPAMZOUCLI-DOTOQJQBSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](OCC)C(C)C)C2)CC1 ZINC001280387744 1144837832 /nfs/dbraw/zinc/83/78/32/1144837832.db2.gz HGJLXPFNQBJLPM-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001280890663 1144861706 /nfs/dbraw/zinc/86/17/06/1144861706.db2.gz ZOIVIUYXDMHDHA-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001281389177 1144886493 /nfs/dbraw/zinc/88/64/93/1144886493.db2.gz CHRHMIDKILTANF-AEFFLSMTSA-N 0 3 321.424 2.425 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COC2CCCCC2)C[C@H]1C ZINC001281668873 1144904357 /nfs/dbraw/zinc/90/43/57/1144904357.db2.gz FQMICHWVOXDMOX-HZPDHXFCSA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnc(F)c1 ZINC001281901301 1144918821 /nfs/dbraw/zinc/91/88/21/1144918821.db2.gz KOGFRMKZOJCYSS-SJLPKXTDSA-N 0 3 323.371 2.229 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001281963990 1144924436 /nfs/dbraw/zinc/92/44/36/1144924436.db2.gz AUJXJSMZOFIMFM-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N(C)CC(C)(C)CNCc1nccn1C ZINC001282305874 1145032093 /nfs/dbraw/zinc/03/20/93/1145032093.db2.gz APESZSRKPBBNSG-UHFFFAOYSA-N 0 3 306.454 2.351 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001282411923 1145063837 /nfs/dbraw/zinc/06/38/37/1145063837.db2.gz LAYYDMXTVRXKLI-WMLDXEAASA-N 0 3 302.418 2.427 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001282676656 1145121861 /nfs/dbraw/zinc/12/18/61/1145121861.db2.gz UKKZBGHSBUEQGF-IRXDYDNUSA-N 0 3 316.449 2.218 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)COc2ccc(CC)cc2)C1 ZINC001282738124 1145155717 /nfs/dbraw/zinc/15/57/17/1145155717.db2.gz OPHHKVVBMQLAQJ-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001282739451 1145157715 /nfs/dbraw/zinc/15/77/15/1145157715.db2.gz URVPPWCRCBJYAX-ZDUSSCGKSA-N 0 3 318.465 2.075 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC001282774260 1145162551 /nfs/dbraw/zinc/16/25/51/1145162551.db2.gz XIMKYSLUZLZGHL-QFBILLFUSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2cnc(C)cn2)C1 ZINC001283081233 1145259918 /nfs/dbraw/zinc/25/99/18/1145259918.db2.gz XOGQCPSOKVEKTA-MPGHIAIKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1cscn1 ZINC001283249865 1145335028 /nfs/dbraw/zinc/33/50/28/1145335028.db2.gz ZJPDOALAOPNEEK-NSHDSACASA-N 0 3 301.843 2.313 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@@H](C)c2cnccn2)CC1 ZINC001283296847 1145349369 /nfs/dbraw/zinc/34/93/69/1145349369.db2.gz PTOPPIAIJHVIRH-AWEZNQCLSA-N 0 3 302.422 2.427 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(N(C)Cc2cncn2C)CC1 ZINC001283332343 1145366084 /nfs/dbraw/zinc/36/60/84/1145366084.db2.gz XZWVJGGTXIXUBF-UHFFFAOYSA-N 0 3 318.465 2.445 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@](C)(OC)c1ccccc1F ZINC001283622020 1145548853 /nfs/dbraw/zinc/54/88/53/1145548853.db2.gz QJHFEMGGJFVORE-KDOFPFPSSA-N 0 3 320.408 2.147 20 30 DEEDHN Cn1ncc2c1CC(C)(C)CN(C[C@H](O)c1cccc(C#N)c1)C2 ZINC001364777074 1145557440 /nfs/dbraw/zinc/55/74/40/1145557440.db2.gz QBTSCWCRTGNSFM-SFHVURJKSA-N 0 3 324.428 2.410 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C1(CC)CCCC1 ZINC001283694088 1145591952 /nfs/dbraw/zinc/59/19/52/1145591952.db2.gz RLJKHSHSZQQCTJ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C#CC1CC1 ZINC001283982197 1145736951 /nfs/dbraw/zinc/73/69/51/1145736951.db2.gz LAVHHMGLXWKNHW-LPHOPBHVSA-N 0 3 306.409 2.031 20 30 DEEDHN CCc1ccc(C(=O)N2C[C@@H](NCC#CCOC)C[C@@H]2C)s1 ZINC001283994548 1145740248 /nfs/dbraw/zinc/74/02/48/1145740248.db2.gz FCMLFHHZXSPUFR-KBPBESRZSA-N 0 3 320.458 2.153 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001283997625 1145742010 /nfs/dbraw/zinc/74/20/10/1145742010.db2.gz RKXDDWPQZZBAIG-UKRRQHHQSA-N 0 3 319.836 2.188 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCCOc2ccccc2C)C1 ZINC001284000836 1145743720 /nfs/dbraw/zinc/74/37/20/1145743720.db2.gz NYOZCTTUTDWSNC-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCCn2nc(C)cc2C)[C@H]1C ZINC001284133572 1145805768 /nfs/dbraw/zinc/80/57/68/1145805768.db2.gz YSUZZRLINOQWKF-SJORKVTESA-N 0 3 318.465 2.435 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCn2cc(C)cn2)[C@H]1C ZINC001284155086 1145809214 /nfs/dbraw/zinc/80/92/14/1145809214.db2.gz SHDNMZBZKFVRCZ-CVEARBPZSA-N 0 3 304.438 2.127 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)Cc1c(C)cc(C)cc1C ZINC001284509691 1145865037 /nfs/dbraw/zinc/86/50/37/1145865037.db2.gz OSTJDEQUDUNAOS-QGZVFWFLSA-N 0 3 318.461 2.091 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cc(CC)c[nH]c1=O)C(C)C ZINC001284553548 1145870623 /nfs/dbraw/zinc/87/06/23/1145870623.db2.gz OZJBRBNBIOYDFY-UHFFFAOYSA-N 0 3 305.422 2.318 20 30 DEEDHN CN(C(=O)C#CC1CC1)C1CC(NCc2ccc(F)cc2F)C1 ZINC001284761897 1145901379 /nfs/dbraw/zinc/90/13/79/1145901379.db2.gz MUSJGJFGVDVGFL-UHFFFAOYSA-N 0 3 318.367 2.457 20 30 DEEDHN Cc1cc(CN2CC=C(CNC(=O)[C@H](C)C#N)CC2)cs1 ZINC001284891727 1145960046 /nfs/dbraw/zinc/96/00/46/1145960046.db2.gz 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ZINC001326335139 1148079705 /nfs/dbraw/zinc/07/97/05/1148079705.db2.gz UVLWYDFNPRDXQC-GFCCVEGCSA-N 0 3 321.234 2.473 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CCOC1 ZINC001326448886 1148102511 /nfs/dbraw/zinc/10/25/11/1148102511.db2.gz CJVWKVBUKAEWBJ-INIZCTEOSA-N 0 3 314.429 2.185 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2n[nH]cc2C)cc1 ZINC001326469581 1148109144 /nfs/dbraw/zinc/10/91/44/1148109144.db2.gz VGKOOTSSTWIHDP-AWEZNQCLSA-N 0 3 310.401 2.322 20 30 DEEDHN COc1ccc(C[C@H](C)N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC001326824109 1148261140 /nfs/dbraw/zinc/26/11/40/1148261140.db2.gz VPXYNFPMQBNTQZ-WMLDXEAASA-N 0 3 317.433 2.496 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(NCC(=O)N(C)C(C)C)CCC1 ZINC001326830651 1148264919 /nfs/dbraw/zinc/26/49/19/1148264919.db2.gz PUBSBPQBROFLEW-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC1(C(=O)NCC2(NCc3ccnn3C)CCC2)CCC1 ZINC001326878710 1148279746 /nfs/dbraw/zinc/27/97/46/1148279746.db2.gz YGKZSTMRXDDNDO-UHFFFAOYSA-N 0 3 316.449 2.295 20 30 DEEDHN C#CCNC1(CNC(=O)c2cnc(CC(C)C)s2)CCC1 ZINC001326937393 1148294714 /nfs/dbraw/zinc/29/47/14/1148294714.db2.gz IYKUOKREBDZKRA-UHFFFAOYSA-N 0 3 305.447 2.217 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@H](CNCc2cccc(F)c2)C1 ZINC001327020954 1148311840 /nfs/dbraw/zinc/31/18/40/1148311840.db2.gz RSNMJPFJUXEYCF-QGZVFWFLSA-N 0 3 320.408 2.499 20 30 DEEDHN CCc1nocc1CN1CCC(C)(CNC(=O)[C@H](C)C#N)CC1 ZINC001368203378 1148322594 /nfs/dbraw/zinc/32/25/94/1148322594.db2.gz GOWQXFRRHNAJCX-CYBMUJFWSA-N 0 3 318.421 2.115 20 30 DEEDHN CCCC(C)(C)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001327144912 1148335788 /nfs/dbraw/zinc/33/57/88/1148335788.db2.gz APGCASZDHXWUEV-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000424094540 230595371 /nfs/dbraw/zinc/59/53/71/230595371.db2.gz UTFRLXMTJHCUNL-AWEZNQCLSA-N 0 3 314.414 2.447 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H](O)C(C)C ZINC000412717885 529546143 /nfs/dbraw/zinc/54/61/43/529546143.db2.gz LYZIFMFYWSXJOD-YESZJQIVSA-N 0 3 313.401 2.152 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(C#N)c(C)n1 ZINC000286625983 219091560 /nfs/dbraw/zinc/09/15/60/219091560.db2.gz CPCFPVUCELTDPY-UHFFFAOYSA-N 0 3 300.406 2.210 20 30 DEEDHN CN(CCC(=O)Nc1ccccc1C#N)CCc1ccccn1 ZINC000299652835 529872080 /nfs/dbraw/zinc/87/20/80/529872080.db2.gz LCVMRNBHYOPXAM-UHFFFAOYSA-N 0 3 308.385 2.456 20 30 DEEDHN CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cc(C#N)ccc1OC ZINC000614206354 362314738 /nfs/dbraw/zinc/31/47/38/362314738.db2.gz SSMVOQWRPLTYAA-DOTOQJQBSA-N 0 3 315.417 2.303 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc(C#N)s1 ZINC000422215219 529965694 /nfs/dbraw/zinc/96/56/94/529965694.db2.gz IALLQQSJMNNKKR-LBPRGKRZSA-N 0 3 306.435 2.103 20 30 DEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCOCC1 ZINC000107064655 185468175 /nfs/dbraw/zinc/46/81/75/185468175.db2.gz AHXDQFRYEKULGV-CYBMUJFWSA-N 0 3 301.390 2.244 20 30 DEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H]1CCCOC1 ZINC000107693512 539438926 /nfs/dbraw/zinc/43/89/26/539438926.db2.gz QFWFRHIWUBCCJI-HNNXBMFYSA-N 0 3 307.438 2.030 20 30 DEEDHN C[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 ZINC000615539250 362633216 /nfs/dbraw/zinc/63/32/16/362633216.db2.gz IRUCAEDTXCCXCZ-WMLDXEAASA-N 0 3 318.396 2.154 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(C#N)c2)[C@@]12CCCO2 ZINC000272660205 210064764 /nfs/dbraw/zinc/06/47/64/210064764.db2.gz HSXXZEZPUSJHHV-KURKYZTESA-N 0 3 316.401 2.383 20 30 DEEDHN CC[C@@]1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCOC1 ZINC000616865545 362951932 /nfs/dbraw/zinc/95/19/32/362951932.db2.gz VCESEMCGMDSOBT-OAHLLOKOSA-N 0 3 307.781 2.309 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N(C)CC2CCOCC2)c(C#N)c1C ZINC000155783136 186112562 /nfs/dbraw/zinc/11/25/62/186112562.db2.gz LRRUJUWBILRUKC-LBPRGKRZSA-N 0 3 319.405 2.454 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC000595491094 358463711 /nfs/dbraw/zinc/46/37/11/358463711.db2.gz AIWXPOBUNWKEBY-OAHLLOKOSA-N 0 3 304.438 2.362 20 30 DEEDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2cc(C#N)n(C)c2)cn1 ZINC000331682731 233991025 /nfs/dbraw/zinc/99/10/25/233991025.db2.gz WPINONUWOMXCFQ-DLBZAZTESA-N 0 3 313.405 2.123 20 30 DEEDHN CC1CCC(O)(CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000172979244 198173355 /nfs/dbraw/zinc/17/33/55/198173355.db2.gz WHJKLSZVERCANU-UHFFFAOYSA-N 0 3 314.433 2.016 20 30 DEEDHN O=C(C[C@@H]1CCOC1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000329434429 539920800 /nfs/dbraw/zinc/92/08/00/539920800.db2.gz IOBNUZGVDCVNPX-WMLDXEAASA-N 0 3 318.417 2.136 20 30 DEEDHN COc1cccc([C@@H](O)CNCc2ccc(OC)c(C#N)c2)c1 ZINC000174377278 198326680 /nfs/dbraw/zinc/32/66/80/198326680.db2.gz LDYWUJIOLTXXQC-KRWDZBQOSA-N 0 3 312.369 2.399 20 30 DEEDHN COc1cccc([C@H](O)CNCc2ccc(OC)c(C#N)c2)c1 ZINC000174377266 198326956 /nfs/dbraw/zinc/32/69/56/198326956.db2.gz LDYWUJIOLTXXQC-QGZVFWFLSA-N 0 3 312.369 2.399 20 30 DEEDHN Cc1ncc(CO)c(/C=N/CC2([NH+](C)C)CCCCC2)c1[O-] ZINC000005110899 353993696 /nfs/dbraw/zinc/99/36/96/353993696.db2.gz SIPBSHQPXQBQFG-VCHYOVAHSA-N 0 3 305.422 2.271 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000617920325 363307458 /nfs/dbraw/zinc/30/74/58/363307458.db2.gz SSDDTRCHQNLECE-YESZJQIVSA-N 0 3 300.402 2.426 20 30 DEEDHN CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000047980553 354337163 /nfs/dbraw/zinc/33/71/63/354337163.db2.gz UESDFBDVPXKJOR-ZDUSSCGKSA-N 0 3 300.406 2.403 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc([S@](C)=O)cc2)nc(C)n1 ZINC000049405095 354360867 /nfs/dbraw/zinc/36/08/67/354360867.db2.gz AUDKJWOTZJYJCJ-RCDICMHDSA-N 0 3 313.382 2.321 20 30 DEEDHN C=C(C)CN(CC)C[C@@H](O)COc1c(OC)cccc1OC ZINC000063650960 354651383 /nfs/dbraw/zinc/65/13/83/354651383.db2.gz FMVWVNRNKLOJCS-CQSZACIVSA-N 0 3 309.406 2.342 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COCc1ccco1 ZINC000073649452 354974219 /nfs/dbraw/zinc/97/42/19/354974219.db2.gz VPYUPYFKEVISOS-MRXNPFEDSA-N 0 3 300.358 2.161 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cccc1 ZINC000073705465 354976879 /nfs/dbraw/zinc/97/68/79/354976879.db2.gz HNLASOSXDUKDMY-UHFFFAOYSA-N 0 3 324.428 2.340 20 30 DEEDHN N#CCSc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000079536596 355315676 /nfs/dbraw/zinc/31/56/76/355315676.db2.gz QFWQAZKFBOSIOA-ZDUSSCGKSA-N 0 3 301.415 2.269 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000179779029 356032673 /nfs/dbraw/zinc/03/26/73/356032673.db2.gz WBUUTQRZOHXAQY-AWEZNQCLSA-N 0 3 305.422 2.497 20 30 DEEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000182368063 356124101 /nfs/dbraw/zinc/12/41/01/356124101.db2.gz HQTFTIPFDMVNME-RCBQFDQVSA-N 0 3 301.390 2.432 20 30 DEEDHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595608880 358500333 /nfs/dbraw/zinc/50/03/33/358500333.db2.gz AVUMJBKBSNFFKT-HOTGVXAUSA-N 0 3 318.417 2.451 20 30 DEEDHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCS1 ZINC000222144262 356274937 /nfs/dbraw/zinc/27/49/37/356274937.db2.gz BXXPICBBERQFEQ-HUUCEWRRSA-N 0 3 306.431 2.125 20 30 DEEDHN CC(C)O[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000404727192 283165374 /nfs/dbraw/zinc/16/53/74/283165374.db2.gz YASNDQKXGNJMNY-IRXDYDNUSA-N 0 3 318.417 2.187 20 30 DEEDHN CC(C)O[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000404727193 283165411 /nfs/dbraw/zinc/16/54/11/283165411.db2.gz YASNDQKXGNJMNY-SJORKVTESA-N 0 3 318.417 2.187 20 30 DEEDHN CC(C)OCCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000318563059 356437807 /nfs/dbraw/zinc/43/78/07/356437807.db2.gz BDGNQIAPQYPTDG-UHFFFAOYSA-N 0 3 324.446 2.127 20 30 DEEDHN C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCN(C)C3)n2)c1 ZINC000350028995 356500238 /nfs/dbraw/zinc/50/02/38/356500238.db2.gz RLEINVWPVWPJDE-CQSZACIVSA-N 0 3 312.373 2.072 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C(C)C ZINC000531171435 356744813 /nfs/dbraw/zinc/74/48/13/356744813.db2.gz WCKXRIFHXMVYEI-DOTOQJQBSA-N 0 3 318.465 2.338 20 30 DEEDHN N#CCCC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000564562918 356747563 /nfs/dbraw/zinc/74/75/63/356747563.db2.gz FDJPVNUTHHJSGP-UHFFFAOYSA-N 0 3 310.405 2.221 20 30 DEEDHN C[C@H](NC(=O)NCC1(C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000579748035 357026668 /nfs/dbraw/zinc/02/66/68/357026668.db2.gz LFFYRETVCFADOD-DZGCQCFKSA-N 0 3 300.406 2.281 20 30 DEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000581863185 357257224 /nfs/dbraw/zinc/25/72/24/357257224.db2.gz OXGWTHJDMAHNHG-QRIFCXAISA-N 0 3 309.413 2.425 20 30 DEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c1cnn3CCO)CC2 ZINC000589337916 357465457 /nfs/dbraw/zinc/46/54/57/357465457.db2.gz HKQIVXLRSXWYTJ-MSOLQXFVSA-N 0 3 322.412 2.402 20 30 DEEDHN CN1CCC[C@@H](N2CCN(c3cccc(Cl)c3C#N)CC2)C1 ZINC000590690332 357581464 /nfs/dbraw/zinc/58/14/64/357581464.db2.gz ITAKNDGGOQRRQD-CQSZACIVSA-N 0 3 318.852 2.428 20 30 DEEDHN CN(C)[C@H](CC(=O)N[C@@]1(C#N)CCSC1)c1ccccc1 ZINC000591317512 357705800 /nfs/dbraw/zinc/70/58/00/357705800.db2.gz VNQALXBRHVUINZ-GDBMZVCRSA-N 0 3 303.431 2.195 20 30 DEEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)n1 ZINC000591860445 357769864 /nfs/dbraw/zinc/76/98/64/357769864.db2.gz XCLNJIWQLRVOJU-INIZCTEOSA-N 0 3 320.396 2.476 20 30 DEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCC(C)(C)C)CC1 ZINC000592144594 357838690 /nfs/dbraw/zinc/83/86/90/357838690.db2.gz BUIKTYQVQZXRPJ-MRXNPFEDSA-N 0 3 322.497 2.047 20 30 DEEDHN CC#CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000179348612 199018986 /nfs/dbraw/zinc/01/89/86/199018986.db2.gz YPAYGKHBCIRHIG-UHFFFAOYSA-N 0 3 314.433 2.282 20 30 DEEDHN CS[C@H]1CCCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592505466 357889319 /nfs/dbraw/zinc/88/93/19/357889319.db2.gz UGVOVLAYRNGBDP-AWEZNQCLSA-N 0 3 301.419 2.318 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000593403197 358070069 /nfs/dbraw/zinc/07/00/69/358070069.db2.gz PTMGWMAZXNSGRW-UHFFFAOYSA-N 0 3 306.454 2.444 20 30 DEEDHN CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1cccc(OC)c1 ZINC000593411419 358072476 /nfs/dbraw/zinc/07/24/76/358072476.db2.gz INYUKLCKLAWISU-IUODEOHRSA-N 0 3 318.373 2.355 20 30 DEEDHN CC[C@H](C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000593897593 358167273 /nfs/dbraw/zinc/16/72/73/358167273.db2.gz SKDQQPAFMWZXHK-CQSZACIVSA-N 0 3 308.385 2.433 20 30 DEEDHN CCc1ccccc1[C@H](N)CNC(=O)COc1ccc(C#N)cc1 ZINC000593908159 358169668 /nfs/dbraw/zinc/16/96/68/358169668.db2.gz BUVJNTQOGNDWPZ-GOSISDBHSA-N 0 3 323.396 2.316 20 30 DEEDHN COc1cc(NC(=O)[C@@H](N)CCCC#N)cc(Cl)c1OC ZINC000593915194 358171967 /nfs/dbraw/zinc/17/19/67/358171967.db2.gz SDTDZJKNPUBGEW-NSHDSACASA-N 0 3 311.769 2.317 20 30 DEEDHN CCC(C)(C)N1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000594020876 358190971 /nfs/dbraw/zinc/19/09/71/358190971.db2.gz NDIKLCIPWKLSIO-UHFFFAOYSA-N 0 3 320.462 2.364 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000594309836 358241483 /nfs/dbraw/zinc/24/14/83/358241483.db2.gz JWKOVKODDLJHRP-JKIFEVAISA-N 0 3 311.429 2.478 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000180564220 199176771 /nfs/dbraw/zinc/17/67/71/199176771.db2.gz UKEHNEHBWJAYFA-UHFFFAOYSA-N 0 3 311.307 2.384 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@@H]2c2cccnc2)cc1 ZINC000594421465 358265170 /nfs/dbraw/zinc/26/51/70/358265170.db2.gz ZEPRBGBFVNNMMI-KSZLIROESA-N 0 3 316.364 2.308 20 30 DEEDHN Cn1ccnc1-c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594441918 358272233 /nfs/dbraw/zinc/27/22/33/358272233.db2.gz YKJLCVYSAHJEJU-OAHLLOKOSA-N 0 3 311.389 2.437 20 30 DEEDHN CSCC1(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000594713655 358323075 /nfs/dbraw/zinc/32/30/75/358323075.db2.gz UTILTRNKRJHTKH-CQSZACIVSA-N 0 3 303.431 2.208 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCCc3[nH]cnc32)[C@H]1C ZINC001088849045 781936266 /nfs/dbraw/zinc/93/62/66/781936266.db2.gz BVBJRDZUGIPYAZ-AGIUHOORSA-N 0 3 322.840 2.161 20 30 DEEDHN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000595764428 358543897 /nfs/dbraw/zinc/54/38/97/358543897.db2.gz BFSPFDVXRDLBOI-MRXNPFEDSA-N 0 3 323.400 2.461 20 30 DEEDHN Cn1ncc(C#N)c1N1CCCN(CCCc2ccccc2)CC1 ZINC000596108341 358612523 /nfs/dbraw/zinc/61/25/23/358612523.db2.gz ARBRSQCIMLZPRX-UHFFFAOYSA-N 0 3 323.444 2.437 20 30 DEEDHN COc1ccnc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000597425109 358914016 /nfs/dbraw/zinc/91/40/16/358914016.db2.gz CPPZXONESWWANZ-OAHLLOKOSA-N 0 3 309.369 2.479 20 30 DEEDHN CC(C#N)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000597840818 359019716 /nfs/dbraw/zinc/01/97/16/359019716.db2.gz BBZMYBMYJMYBBN-RNCFNFMXSA-N 0 3 300.280 2.189 20 30 DEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000598195591 359120234 /nfs/dbraw/zinc/12/02/34/359120234.db2.gz OXMVAHYFFAGASR-KRWDZBQOSA-N 0 3 311.429 2.456 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598603949 359259163 /nfs/dbraw/zinc/25/91/63/359259163.db2.gz IFFOHVXJLLRZIH-KGLIPLIRSA-N 0 3 310.438 2.341 20 30 DEEDHN CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000598591046 359253908 /nfs/dbraw/zinc/25/39/08/359253908.db2.gz YNVLPZUKVHLQGT-UONOGXRCSA-N 0 3 304.390 2.059 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1C[C@@H](O)CC(C)(C)C#N ZINC000598594778 359255078 /nfs/dbraw/zinc/25/50/78/359255078.db2.gz JSCZVSBCYXONJU-OAGGEKHMSA-N 0 3 309.454 2.008 20 30 DEEDHN COCCOc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598701568 359297382 /nfs/dbraw/zinc/29/73/82/359297382.db2.gz XJFMVDCOXZQHNX-HNNXBMFYSA-N 0 3 306.406 2.102 20 30 DEEDHN C[C@@H]1C[C@@H](NC[C@@H](O)CC(C)(C)C#N)C(=O)N1c1ccccc1 ZINC000598721561 359305861 /nfs/dbraw/zinc/30/58/61/359305861.db2.gz VJXFHVDAUIEXMP-VNQPRFMTSA-N 0 3 315.417 2.071 20 30 DEEDHN Cn1cc(CNC[C@H](O)CC(C)(C)C#N)c(-c2ccccc2)n1 ZINC000598723818 359306536 /nfs/dbraw/zinc/30/65/36/359306536.db2.gz KWNOSMBOHNZZAQ-MRXNPFEDSA-N 0 3 312.417 2.477 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc2c1OC(F)(F)O2 ZINC000598729858 359307210 /nfs/dbraw/zinc/30/72/10/359307210.db2.gz NZBROAIZQXPVPO-LLVKDONJSA-N 0 3 312.316 2.398 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(CO)(c2ccccc2)CC1 ZINC000598618706 359262616 /nfs/dbraw/zinc/26/26/16/359262616.db2.gz PQTHEPZLIQABJX-KRWDZBQOSA-N 0 3 316.445 2.313 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCn2cncc2C1 ZINC000598949983 359364362 /nfs/dbraw/zinc/36/43/62/359364362.db2.gz YTNZSWQHAIRHSC-HOTGVXAUSA-N 0 3 308.385 2.087 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncnc2c1ncn2C)C(C)C ZINC000599454286 359503597 /nfs/dbraw/zinc/50/35/97/359503597.db2.gz ZUWJNSZGOXVMFA-CQSZACIVSA-N 0 3 314.437 2.474 20 30 DEEDHN Cn1cc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000428541074 237184909 /nfs/dbraw/zinc/18/49/09/237184909.db2.gz OWAPHJZIZYLWKM-QZTJIDSGSA-N 0 3 313.376 2.292 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000186934053 200033563 /nfs/dbraw/zinc/03/35/63/200033563.db2.gz ZSGOCSQHGWECBY-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN CCN(C(=O)c1ncc(C#N)cc1Cl)C1CCN(C)CC1 ZINC000599986104 359629756 /nfs/dbraw/zinc/62/97/56/359629756.db2.gz OCEXKYRYWDMIRS-UHFFFAOYSA-N 0 3 306.797 2.163 20 30 DEEDHN COCC[C@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000428653193 237216285 /nfs/dbraw/zinc/21/62/85/237216285.db2.gz VSKPEMXDTFTOID-IRXDYDNUSA-N 0 3 316.401 2.023 20 30 DEEDHN CCN1CCN([C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000187678275 200142951 /nfs/dbraw/zinc/14/29/51/200142951.db2.gz VOBSICUXFPAQJU-LPHOPBHVSA-N 0 3 312.461 2.331 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](CCC(C)C)NC(C)=O)CC1 ZINC000668370348 540655633 /nfs/dbraw/zinc/65/56/33/540655633.db2.gz VLGSGWOZUMARDJ-KRWDZBQOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(C3CCC3)cnn2C)CC1 ZINC000668370412 540655693 /nfs/dbraw/zinc/65/56/93/540655693.db2.gz WXUGYAGALWIDEX-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc3c2OC(F)(F)O3)CC1 ZINC000668370220 540656036 /nfs/dbraw/zinc/65/60/36/540656036.db2.gz QOGRAJLMPXHNFX-UHFFFAOYSA-N 0 3 324.327 2.388 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncnc3sccc32)CC1 ZINC000668370004 540656105 /nfs/dbraw/zinc/65/61/05/540656105.db2.gz KOKCQOWZIOXYAQ-UHFFFAOYSA-N 0 3 302.403 2.072 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccc2c(c1)COC2 ZINC000600729745 359813519 /nfs/dbraw/zinc/81/35/19/359813519.db2.gz XORIAYUNDXYFBS-SFHVURJKSA-N 0 3 324.380 2.118 20 30 DEEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000601548203 360069854 /nfs/dbraw/zinc/06/98/54/360069854.db2.gz LLXZSOKZZCHZSA-ZDUSSCGKSA-N 0 3 305.378 2.444 20 30 DEEDHN CN1CCN(c2ccnc(NC(=O)CCCCCC#N)c2)CC1 ZINC000601805332 360155250 /nfs/dbraw/zinc/15/52/50/360155250.db2.gz NJJRNTSDBSNRCW-UHFFFAOYSA-N 0 3 315.421 2.246 20 30 DEEDHN CN(CC(=O)N(CCC#N)Cc1cccnc1)CC(C)(C)C ZINC000602084314 360258965 /nfs/dbraw/zinc/25/89/65/360258965.db2.gz KDTNLWGRJRBIFX-UHFFFAOYSA-N 0 3 302.422 2.302 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C)C#N)C2)cc1 ZINC000602289053 360331529 /nfs/dbraw/zinc/33/15/29/360331529.db2.gz ZPWPUTWRNUJPPA-GOEBONIOSA-N 0 3 300.406 2.028 20 30 DEEDHN Cc1ccc(CN2CC[C@H](NC(=O)NCC(C)(C)C#N)C2)cc1 ZINC000602291734 360331608 /nfs/dbraw/zinc/33/16/08/360331608.db2.gz WQLTVWCIIXQWHV-INIZCTEOSA-N 0 3 314.433 2.418 20 30 DEEDHN C[C@H](CCC#N)CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000602430771 360369375 /nfs/dbraw/zinc/36/93/75/360369375.db2.gz QNZWHJTVQRTGGP-MRXNPFEDSA-N 0 3 311.433 2.392 20 30 DEEDHN COc1ccc(OC)c(CN(CCO)C[C@H](C)CCC#N)c1 ZINC000602471747 360389804 /nfs/dbraw/zinc/38/98/04/360389804.db2.gz HMIYNKPJLUYVFU-CQSZACIVSA-N 0 3 306.406 2.438 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccsc1C(F)(F)F ZINC000602580831 360442709 /nfs/dbraw/zinc/44/27/09/360442709.db2.gz PCWHMSSAFIVHQB-SECBINFHSA-N 0 3 305.325 2.404 20 30 DEEDHN COc1cccc([C@@H](CNCc2cccc(C#N)n2)N(C)C)c1 ZINC000602506464 360409103 /nfs/dbraw/zinc/40/91/03/360409103.db2.gz XIKZWHKOLMLXRK-GOSISDBHSA-N 0 3 310.401 2.354 20 30 DEEDHN COC(=O)COc1ccc(CN(C)CC2(CC#N)CC2)cc1 ZINC000602816443 360570004 /nfs/dbraw/zinc/57/00/04/360570004.db2.gz JCWVDBBCJDVSTG-UHFFFAOYSA-N 0 3 302.374 2.364 20 30 DEEDHN Cc1ccc([C@H](CN[C@@H]2CC[C@H](C#N)C2)N2CCOCC2)o1 ZINC000442638721 238055295 /nfs/dbraw/zinc/05/52/95/238055295.db2.gz UBKXMRFHAWCJKY-XHSDSOJGSA-N 0 3 303.406 2.243 20 30 DEEDHN CN1CC[C@]2(CCN(c3c(C#N)cnn3-c3ccccc3)C2)C1 ZINC000603386137 360812993 /nfs/dbraw/zinc/81/29/93/360812993.db2.gz HENBOVAMZHUSAJ-SFHVURJKSA-N 0 3 307.401 2.276 20 30 DEEDHN C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)N1CCCC1 ZINC000609188041 361288391 /nfs/dbraw/zinc/28/83/91/361288391.db2.gz NOODMMLTQUFUAT-CQSZACIVSA-N 0 3 310.401 2.379 20 30 DEEDHN CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000608822217 361270268 /nfs/dbraw/zinc/27/02/68/361270268.db2.gz HFZMAHPEABGWEO-IRXDYDNUSA-N 0 3 314.433 2.348 20 30 DEEDHN CCN(CC)c1ncc(CNC2CCN(CC#N)CC2)s1 ZINC000609335129 361303743 /nfs/dbraw/zinc/30/37/43/361303743.db2.gz VPJMRRWMQFQAQT-UHFFFAOYSA-N 0 3 307.467 2.067 20 30 DEEDHN CN1CCN(CCCCNc2ncc(C#N)cc2Cl)CC1 ZINC000609631838 361331201 /nfs/dbraw/zinc/33/12/01/361331201.db2.gz ZGUPOHAXYBMSSG-UHFFFAOYSA-N 0 3 307.829 2.046 20 30 DEEDHN Cc1csc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000619356774 363771187 /nfs/dbraw/zinc/77/11/87/363771187.db2.gz RHVXARLWYNRJAU-HNNXBMFYSA-N 0 3 324.409 2.364 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)S1 ZINC000610336810 361386616 /nfs/dbraw/zinc/38/66/16/361386616.db2.gz DKXBNOGQPFIMDN-IIAWOOMASA-N 0 3 320.458 2.318 20 30 DEEDHN CC(C#N)C(=O)N1CCOc2c(Br)cccc2C1 ZINC000619420631 363788724 /nfs/dbraw/zinc/78/87/24/363788724.db2.gz OAYGFPNWRUGXKD-VIFPVBQESA-N 0 3 309.163 2.330 20 30 DEEDHN C[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1cccc(C#N)c1 ZINC000610404816 361395702 /nfs/dbraw/zinc/39/57/02/361395702.db2.gz PGTOYJFUQLPCHK-QWHCGFSZSA-N 0 3 300.406 2.401 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000610653960 361438025 /nfs/dbraw/zinc/43/80/25/361438025.db2.gz ZKQAYROYFJQNFT-VNHYZAJKSA-N 0 3 313.401 2.067 20 30 DEEDHN COCCN(CCC#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000610540780 361418860 /nfs/dbraw/zinc/41/88/60/361418860.db2.gz LQSUNZKDWWXVHZ-UHFFFAOYSA-N 0 3 304.394 2.142 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000673010878 541081956 /nfs/dbraw/zinc/08/19/56/541081956.db2.gz DAKRDIBPALJDQC-DOTOQJQBSA-N 0 3 319.449 2.488 20 30 DEEDHN C[C@H](CCS(C)(=O)=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393363 361590924 /nfs/dbraw/zinc/59/09/24/361590924.db2.gz HPJSWRRZJRGFBK-WBMJQRKESA-N 0 3 306.431 2.348 20 30 DEEDHN N#Cc1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c[nH]1 ZINC000611516532 361620023 /nfs/dbraw/zinc/62/00/23/361620023.db2.gz TUDPKSUIINQJGV-UHFFFAOYSA-N 0 3 324.384 2.095 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000611623242 361648417 /nfs/dbraw/zinc/64/84/17/361648417.db2.gz RGDRVXOGSPZJFR-WBVHZDCISA-N 0 3 314.433 2.357 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000611634722 361649991 /nfs/dbraw/zinc/64/99/91/361649991.db2.gz QSCVKLCUINNNHY-GOEBONIOSA-N 0 3 300.406 2.062 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc4ccccn43)CCC[C@@H]12 ZINC000991820808 781949997 /nfs/dbraw/zinc/94/99/97/781949997.db2.gz TYYLMSZDJLMOEQ-QAPCUYQASA-N 0 3 310.401 2.247 20 30 DEEDHN C=C[C@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)OC ZINC000619700662 363858442 /nfs/dbraw/zinc/85/84/42/363858442.db2.gz HGFFKOUXTQXOIQ-INIZCTEOSA-N 0 3 320.458 2.417 20 30 DEEDHN Cn1cc(CNCc2cccc(N3CCOCC3)c2)cc1C#N ZINC000292959728 223327881 /nfs/dbraw/zinc/32/78/81/223327881.db2.gz LIDCNKMMBWTFGT-UHFFFAOYSA-N 0 3 310.401 2.023 20 30 DEEDHN C[C@@H]1CN(c2c(C#N)cnc3ccccc32)CCN1CC(C)(C)O ZINC000275443101 212335280 /nfs/dbraw/zinc/33/52/80/212335280.db2.gz FZWOJHPWRNIQJW-CQSZACIVSA-N 0 3 324.428 2.388 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000271771921 209199631 /nfs/dbraw/zinc/19/96/31/209199631.db2.gz AFIUDHMDUAUYCR-UHFFFAOYSA-N 0 3 315.417 2.313 20 30 DEEDHN C=CC[C@@H](Cc1ccccc1)n1cc(Cn2cc(CN)cn2)nn1 ZINC000630592722 367746341 /nfs/dbraw/zinc/74/63/41/367746341.db2.gz XEABJSGWCASKIE-SFHVURJKSA-N 0 3 322.416 2.342 20 30 DEEDHN COCC#CCNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000677819041 541632000 /nfs/dbraw/zinc/63/20/00/541632000.db2.gz OZOQRDGBEFERJU-UHFFFAOYSA-N 0 3 301.386 2.467 20 30 DEEDHN CC(C)[C@@H](CO)[C@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000451600534 243179635 /nfs/dbraw/zinc/17/96/35/243179635.db2.gz SDIXAXHCAXSUTO-SJLPKXTDSA-N 0 3 317.433 2.375 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000678049039 541668627 /nfs/dbraw/zinc/66/86/27/541668627.db2.gz BGYXDWZHYGTLES-DOTOQJQBSA-N 0 3 302.418 2.065 20 30 DEEDHN C=C(C)[C@@H](CO)N(C)CCCOc1cc(OC)cc(OC)c1 ZINC000678049382 541668889 /nfs/dbraw/zinc/66/88/89/541668889.db2.gz JKQJFHHTGSSMCN-QGZVFWFLSA-N 0 3 309.406 2.342 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@@](C)(C(=O)OC)C2)cc1 ZINC000093813820 193311635 /nfs/dbraw/zinc/31/16/35/193311635.db2.gz TXRHQNWDOXPALL-GOSISDBHSA-N 0 3 301.386 2.474 20 30 DEEDHN C=CCc1ccc(OC[C@H](O)CN2CC=CCC2)c(OC)c1 ZINC000679322338 541838685 /nfs/dbraw/zinc/83/86/85/541838685.db2.gz FRDHULDETLZXSF-MRXNPFEDSA-N 0 3 303.402 2.425 20 30 DEEDHN CN(CCOc1cccc(C#N)c1)C[C@@H](O)Cc1ccccc1 ZINC000264712455 204096502 /nfs/dbraw/zinc/09/65/02/204096502.db2.gz LJNZQMAKWLKOHA-SFHVURJKSA-N 0 3 310.397 2.472 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCn1ccnc1)C(C)C ZINC000264924055 204273626 /nfs/dbraw/zinc/27/36/26/204273626.db2.gz KZJCFCLOAXKCBE-MRXNPFEDSA-N 0 3 304.438 2.088 20 30 DEEDHN CC#CCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000266028375 205040232 /nfs/dbraw/zinc/04/02/32/205040232.db2.gz ZNSCMQKRDTXSJR-KRWDZBQOSA-N 0 3 318.417 2.118 20 30 DEEDHN C=CCNC(=O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000679936737 541931831 /nfs/dbraw/zinc/93/18/31/541931831.db2.gz BFINFLFFJWUDGG-QGZVFWFLSA-N 0 3 301.434 2.105 20 30 DEEDHN C[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)C1=CCN(C)CC1 ZINC000454824426 246177683 /nfs/dbraw/zinc/17/76/83/246177683.db2.gz UMMBFUIQIJQHEW-LBPRGKRZSA-N 0 3 316.380 2.147 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2C(=O)NCC2(N(C)C)CCC2)cnn1C ZINC000329942990 291598231 /nfs/dbraw/zinc/59/82/31/291598231.db2.gz HNKICPCYWLFRIH-ZFWWWQNUSA-N 0 3 320.437 2.247 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456334136 247098096 /nfs/dbraw/zinc/09/80/96/247098096.db2.gz LZNSURLYFDCFKH-VQIMIIECSA-N 0 3 316.445 2.294 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000680909967 542065121 /nfs/dbraw/zinc/06/51/21/542065121.db2.gz CORNLYIKKSSUPC-NVXWUHKLSA-N 0 3 302.418 2.216 20 30 DEEDHN C=CCC1(NC(=O)N[C@H]2CCN(CCOC)C2)CCCCC1 ZINC000458442445 248311503 /nfs/dbraw/zinc/31/15/03/248311503.db2.gz SOXHJRQFKQSMSE-HNNXBMFYSA-N 0 3 309.454 2.285 20 30 DEEDHN N#CCC[C@H](C#N)CNCCCNC(=O)/C=C\c1ccccc1 ZINC000492811204 249145619 /nfs/dbraw/zinc/14/56/19/249145619.db2.gz SUKPKPDUMOIOAX-DOOKAGJSSA-N 0 3 310.401 2.239 20 30 DEEDHN C#CCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(CC)CC ZINC000274124552 211378047 /nfs/dbraw/zinc/37/80/47/211378047.db2.gz HGCFEHUHQNUJCE-INIZCTEOSA-N 0 3 315.417 2.109 20 30 DEEDHN C#CCN(C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000274087318 211343275 /nfs/dbraw/zinc/34/32/75/211343275.db2.gz HYEQIRSIAZTAGI-RDJZCZTQSA-N 0 3 311.429 2.457 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106039944 194181681 /nfs/dbraw/zinc/18/16/81/194181681.db2.gz CZTTVLHKATUGCY-UHFFFAOYSA-N 0 3 317.389 2.294 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(OC)cccc2OC)CC1 ZINC000106290630 194193527 /nfs/dbraw/zinc/19/35/27/194193527.db2.gz RHQOIJZZRPHKKQ-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000285188643 218325943 /nfs/dbraw/zinc/32/59/43/218325943.db2.gz RTEGSNVQZKBFOT-LBPRGKRZSA-N 0 3 317.389 2.064 20 30 DEEDHN C[C@@H]1CSC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000556798021 291842241 /nfs/dbraw/zinc/84/22/41/291842241.db2.gz CRTNXKOLZUFVCY-USWWRNFRSA-N 0 3 307.444 2.066 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CCC[C@@H]1O ZINC000270048360 208103340 /nfs/dbraw/zinc/10/33/40/208103340.db2.gz FDXDTIOUPLBJSX-GJZGRUSLSA-N 0 3 304.390 2.038 20 30 DEEDHN C=C[C@@H](C)NC[C@H](O)COc1cccc(Br)c1 ZINC000158227227 197254859 /nfs/dbraw/zinc/25/48/59/197254859.db2.gz KSNLRFYBDZMHMU-PWSUYJOCSA-N 0 3 300.196 2.353 20 30 DEEDHN CC(=O)N1CC[C@H](CN(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000156749156 197137343 /nfs/dbraw/zinc/13/73/43/197137343.db2.gz PYXYLZJNYDYWEV-MRXNPFEDSA-N 0 3 304.821 2.492 20 30 DEEDHN Cc1ccc(OCCNCc2cnc3c(C#N)cnn3c2)cc1 ZINC000559272765 291912245 /nfs/dbraw/zinc/91/22/45/291912245.db2.gz BFAWEHARCJJIOT-UHFFFAOYSA-N 0 3 307.357 2.078 20 30 DEEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cnn(C)c1 ZINC000542575151 285234804 /nfs/dbraw/zinc/23/48/04/285234804.db2.gz ZSWDKKNJLAVQEQ-JTQLQIEISA-N 0 3 303.391 2.033 20 30 DEEDHN CC1CCN(CCNC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000120390289 195156753 /nfs/dbraw/zinc/15/67/53/195156753.db2.gz FGEZXNOJEVGVON-UHFFFAOYSA-N 0 3 307.344 2.298 20 30 DEEDHN COC[C@@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000342704651 285260968 /nfs/dbraw/zinc/26/09/68/285260968.db2.gz RZVQVEKNSGCVDQ-HZPDHXFCSA-N 0 3 321.465 2.466 20 30 DEEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1F ZINC000289574328 221077782 /nfs/dbraw/zinc/07/77/82/221077782.db2.gz BCWCPWZXHCRPMF-AWEZNQCLSA-N 0 3 300.337 2.175 20 30 DEEDHN C#C[C@H](CCC)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000491316159 533308750 /nfs/dbraw/zinc/30/87/50/533308750.db2.gz SOBHSAHWKMYBBM-QGZVFWFLSA-N 0 3 313.445 2.117 20 30 DEEDHN COC(=O)COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000339099240 533557520 /nfs/dbraw/zinc/55/75/20/533557520.db2.gz RNJDTCFSYFWIFX-HUUCEWRRSA-N 0 3 302.374 2.362 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2nc(C)c(C#N)cc2Cl)CC1 ZINC000359909694 133152175 /nfs/dbraw/zinc/15/21/75/133152175.db2.gz YRBODXZKCNKTDB-LBPRGKRZSA-N 0 3 321.856 2.353 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(F)cc1C#N ZINC000376467959 133295943 /nfs/dbraw/zinc/29/59/43/133295943.db2.gz HYROAQWZSUAAMA-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nn(C)c3c2CCCC3)[C@H]1C ZINC001088872344 781999677 /nfs/dbraw/zinc/99/96/77/781999677.db2.gz NNFJHQQPNLOBNC-HIFRSBDPSA-N 0 3 316.449 2.068 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1cn2c(n1)SCC2 ZINC000329866198 404475872 /nfs/dbraw/zinc/47/58/72/404475872.db2.gz USENTHWDMWSDMN-TXEJJXNPSA-N 0 3 308.451 2.361 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCOC[C@H]2C2CCC2)cc1 ZINC000564930585 292121823 /nfs/dbraw/zinc/12/18/23/292121823.db2.gz TUHUTMIMJMFQBS-KRWDZBQOSA-N 0 3 313.401 2.388 20 30 DEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2ccnn2)cc1 ZINC000191486871 145059465 /nfs/dbraw/zinc/05/94/65/145059465.db2.gz FGTXJQFBKOFLBL-CYBMUJFWSA-N 0 3 306.373 2.328 20 30 DEEDHN COCC(C)(C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192569110 145075389 /nfs/dbraw/zinc/07/53/89/145075389.db2.gz GQSBLXJVGVOFJU-HNNXBMFYSA-N 0 3 301.390 2.068 20 30 DEEDHN CC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000317080972 145364227 /nfs/dbraw/zinc/36/42/27/145364227.db2.gz AHLBUUHGGXFEQZ-MRXNPFEDSA-N 0 3 301.390 2.388 20 30 DEEDHN N#Cc1cnc2ccccc2c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000320766948 145375596 /nfs/dbraw/zinc/37/55/96/145375596.db2.gz AKSPMFKUURGHKI-HUUCEWRRSA-N 0 3 308.385 2.382 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000346158865 146026607 /nfs/dbraw/zinc/02/66/07/146026607.db2.gz CKYZYSDVSUIANZ-GDZNZVCISA-N 0 3 315.392 2.500 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H](C)C1 ZINC000346179047 146031328 /nfs/dbraw/zinc/03/13/28/146031328.db2.gz GJZMRLGVHPAIFG-GDZNZVCISA-N 0 3 315.392 2.500 20 30 DEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000346178935 146031455 /nfs/dbraw/zinc/03/14/55/146031455.db2.gz ARFRUNATKKTMPV-LSDHHAIUSA-N 0 3 317.433 2.360 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000358493664 147145117 /nfs/dbraw/zinc/14/51/17/147145117.db2.gz GYWYHHKDYNYUHK-CQSZACIVSA-N 0 3 312.417 2.307 20 30 DEEDHN C[C@H](CO[C@H]1CCOC1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127611148 401742112 /nfs/dbraw/zinc/74/21/12/401742112.db2.gz RQHWLWPDSFYBLZ-YKWDICOMSA-N 0 3 300.402 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@H](CC)C2)CC1 ZINC000111495951 401717274 /nfs/dbraw/zinc/71/72/74/401717274.db2.gz SXIZSXGIPKBBHH-GDBMZVCRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)COCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000128384049 401774093 /nfs/dbraw/zinc/77/40/93/401774093.db2.gz NLOCAFMDTFRSRW-UHFFFAOYSA-N 0 3 305.422 2.140 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115443980 401828678 /nfs/dbraw/zinc/82/86/78/401828678.db2.gz GEHFOXHYPZDNGP-HOCLYGCPSA-N 0 3 315.417 2.126 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000134739149 401912991 /nfs/dbraw/zinc/91/29/91/401912991.db2.gz NXWQIFODNXNTBZ-CQSZACIVSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnn(C)c1C)C(C)C ZINC000046049077 401964619 /nfs/dbraw/zinc/96/46/19/401964619.db2.gz JCQDNOJDNORPBS-MRXNPFEDSA-N 0 3 304.438 2.157 20 30 DEEDHN C[C@@H](O)[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000089932931 401974456 /nfs/dbraw/zinc/97/44/56/401974456.db2.gz FQPYVIGPUPBWCQ-DGCLKSJQSA-N 0 3 307.419 2.041 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000046953816 401976563 /nfs/dbraw/zinc/97/65/63/401976563.db2.gz BVIQSJSXHMWDCX-GJZGRUSLSA-N 0 3 315.417 2.174 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)NCC)C2)cc1 ZINC000090411869 401982079 /nfs/dbraw/zinc/98/20/79/401982079.db2.gz GFGRLPHBXXPTCC-HOCLYGCPSA-N 0 3 315.417 2.153 20 30 DEEDHN C=CCc1cc(CNC(=O)CN(CC)CC)cc(OC)c1OC ZINC000050859988 402029770 /nfs/dbraw/zinc/02/97/70/402029770.db2.gz WMQRSYOURMIGAH-UHFFFAOYSA-N 0 3 320.433 2.390 20 30 DEEDHN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000122716167 402091628 /nfs/dbraw/zinc/09/16/28/402091628.db2.gz QURFMBXAYHRWFP-QGZVFWFLSA-N 0 3 314.433 2.089 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000123718344 402143112 /nfs/dbraw/zinc/14/31/12/402143112.db2.gz AQJRQBBHJKCRCV-QGZVFWFLSA-N 0 3 319.449 2.490 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@]2(CCOC2)C1 ZINC000153463824 402146953 /nfs/dbraw/zinc/14/69/53/402146953.db2.gz AEYWFXFKQZJSNG-QGZVFWFLSA-N 0 3 302.374 2.058 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)N(C)C[C@H](C)C#N)N(C)C)cc1 ZINC000067704839 402169244 /nfs/dbraw/zinc/16/92/44/402169244.db2.gz YTMXEXLQJMPZIU-ZBFHGGJFSA-N 0 3 302.422 2.399 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccnn1C)C(C)C ZINC000125565736 402239427 /nfs/dbraw/zinc/23/94/27/402239427.db2.gz ZCNFIWPNOFHYSO-AWEZNQCLSA-N 0 3 305.426 2.240 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000154985076 402240494 /nfs/dbraw/zinc/24/04/94/402240494.db2.gz RKWYKJJADVNILG-HNNXBMFYSA-N 0 3 301.390 2.066 20 30 DEEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000125961326 402258294 /nfs/dbraw/zinc/25/82/94/402258294.db2.gz HQFGEQOXWHXZGE-CABCVRRESA-N 0 3 310.438 2.075 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000108742551 402260292 /nfs/dbraw/zinc/26/02/92/402260292.db2.gz XSZJMTSSYGDDPW-MRXNPFEDSA-N 0 3 312.413 2.014 20 30 DEEDHN N#CCCCOc1cccc(CN[C@H]2CCc3ncnn3C2)c1 ZINC000105906132 402210478 /nfs/dbraw/zinc/21/04/78/402210478.db2.gz ZNWXXJHIFKPYAJ-HNNXBMFYSA-N 0 3 311.389 2.065 20 30 DEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CNCCOC ZINC000105899733 402210771 /nfs/dbraw/zinc/21/07/71/402210771.db2.gz DCCGKHPYWLYORT-UHFFFAOYSA-N 0 3 302.827 2.152 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CSCc2ccccn2)CC1 ZINC000106035776 402212248 /nfs/dbraw/zinc/21/22/48/402212248.db2.gz GJNPBYNHQFJIPN-UHFFFAOYSA-N 0 3 319.474 2.472 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000157113519 402292266 /nfs/dbraw/zinc/29/22/66/402292266.db2.gz BLDHROYVSCNPTC-JQXMUZPYSA-N 0 3 315.417 2.223 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000186235906 402413826 /nfs/dbraw/zinc/41/38/26/402413826.db2.gz ROVSQMUJGGOBIQ-UHFFFAOYSA-N 0 3 313.445 2.411 20 30 DEEDHN CC(C)c1nc2n(n1)C[C@@H](NCc1cc(C#N)cs1)CC2 ZINC000177697611 402427584 /nfs/dbraw/zinc/42/75/84/402427584.db2.gz YIXWDGAHBZGIOM-LBPRGKRZSA-N 0 3 301.419 2.439 20 30 DEEDHN N#Cc1cc(F)ccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000177914341 402443684 /nfs/dbraw/zinc/44/36/84/402443684.db2.gz ZWQMAZZOBRUJBE-CQSZACIVSA-N 0 3 300.337 2.175 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCc2ccc(C#N)cc2)CCC1 ZINC000189681388 402551911 /nfs/dbraw/zinc/55/19/11/402551911.db2.gz MHGJJOFSORUUHK-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCCOc2ccc(C#N)cc2)C1(C)C ZINC000189995891 402568923 /nfs/dbraw/zinc/56/89/23/402568923.db2.gz FVUMSPUWQWBVGT-WMZOPIPTSA-N 0 3 318.417 2.093 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](N2CCCC2)C1 ZINC000170712417 402516301 /nfs/dbraw/zinc/51/63/01/402516301.db2.gz NOTYSQXQWAZJRR-YOEHRIQHSA-N 0 3 312.417 2.055 20 30 DEEDHN COc1ccc(CNC2(CO)CCC2)cc1OCCCC#N ZINC000178639843 402520625 /nfs/dbraw/zinc/52/06/25/402520625.db2.gz LBDCSALTYHSISC-UHFFFAOYSA-N 0 3 304.390 2.382 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C2(C)C)CC1 ZINC000178669357 402524125 /nfs/dbraw/zinc/52/41/25/402524125.db2.gz OVFBUCFAEODZSY-HZPDHXFCSA-N 0 3 323.481 2.482 20 30 DEEDHN N#Cc1csc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179344471 402586232 /nfs/dbraw/zinc/58/62/32/402586232.db2.gz ZRAMSKHICXDICN-AWEZNQCLSA-N 0 3 303.431 2.358 20 30 DEEDHN N#Cc1csc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179344484 402586554 /nfs/dbraw/zinc/58/65/54/402586554.db2.gz ZRAMSKHICXDICN-CQSZACIVSA-N 0 3 303.431 2.358 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cnn(C)c2C)CC1 ZINC000171555969 402594148 /nfs/dbraw/zinc/59/41/48/402594148.db2.gz KRLPSFQVOXNXEL-CYBMUJFWSA-N 0 3 319.453 2.129 20 30 DEEDHN CCCS(=O)(=O)NC1CCN(CC(C)(C)CCC#N)CC1 ZINC000180021600 402604767 /nfs/dbraw/zinc/60/47/67/402604767.db2.gz PLDOWWVAFDSNRW-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000171718691 402614195 /nfs/dbraw/zinc/61/41/95/402614195.db2.gz SHKJHIUGJVEEOC-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN Cc1nn(C)c2ncc(CNCc3ccc(OCC#N)cc3)cc12 ZINC000171769096 402620683 /nfs/dbraw/zinc/62/06/83/402620683.db2.gz PUUQFBHVOFZRPH-UHFFFAOYSA-N 0 3 321.384 2.469 20 30 DEEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000180879720 402629271 /nfs/dbraw/zinc/62/92/71/402629271.db2.gz GBGGHYSGBOODSV-UPTRSRDDSA-N 0 3 317.364 2.393 20 30 DEEDHN N#CCSCCCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000173889728 402717774 /nfs/dbraw/zinc/71/77/74/402717774.db2.gz SWMZTCBZQJMLMN-CYBMUJFWSA-N 0 3 305.451 2.051 20 30 DEEDHN Cc1c(C#N)cccc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000191555126 402678866 /nfs/dbraw/zinc/67/88/66/402678866.db2.gz JRRHATXOMVYPRC-UHFFFAOYSA-N 0 3 312.377 2.269 20 30 DEEDHN C=CC1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000183204209 402746714 /nfs/dbraw/zinc/74/67/14/402746714.db2.gz HXCPUAHHPMZHOE-UHFFFAOYSA-N 0 3 303.406 2.060 20 30 DEEDHN C#CCOc1ccc(CN2CCOCC3(CCOCC3)C2)cc1 ZINC000183267787 402751615 /nfs/dbraw/zinc/75/16/15/402751615.db2.gz APAPTBKXTHQVLC-UHFFFAOYSA-N 0 3 315.413 2.328 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCCN1C ZINC000194691004 402810541 /nfs/dbraw/zinc/81/05/41/402810541.db2.gz MGNRMWWTWUZLFJ-WBVHZDCISA-N 0 3 315.417 2.172 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC#N ZINC000184095927 402817978 /nfs/dbraw/zinc/81/79/78/402817978.db2.gz QMKMROFFECCOAY-RDJZCZTQSA-N 0 3 314.433 2.500 20 30 DEEDHN COCCOc1ccc(C#N)cc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000184487175 402846396 /nfs/dbraw/zinc/84/63/96/402846396.db2.gz TYIJAQVBESVLDG-UKRRQHHQSA-N 0 3 303.406 2.478 20 30 DEEDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000278266311 402862380 /nfs/dbraw/zinc/86/23/80/402862380.db2.gz OJKPCLMVAIGPLR-CVEARBPZSA-N 0 3 306.431 2.403 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C#N ZINC000278253370 402862401 /nfs/dbraw/zinc/86/24/01/402862401.db2.gz CEWBWFBLLAASAI-UHFFFAOYSA-N 0 3 312.417 2.388 20 30 DEEDHN CS[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1N(C)C ZINC000271422828 402869431 /nfs/dbraw/zinc/86/94/31/402869431.db2.gz VHHYMYUZSJWDAF-DTWKUNHWSA-N 0 3 302.856 2.150 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000264374832 402872631 /nfs/dbraw/zinc/87/26/31/402872631.db2.gz HDMOMUZDVLKXIB-UHFFFAOYSA-N 0 3 321.396 2.154 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)cc2)CC1 ZINC000264389656 402873922 /nfs/dbraw/zinc/87/39/22/402873922.db2.gz KEOCQKCKQBFHQF-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264484300 402883193 /nfs/dbraw/zinc/88/31/93/402883193.db2.gz LZUIWSJHKUCDGH-UHFFFAOYSA-N 0 3 318.377 2.146 20 30 DEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2nc(C)cs2)CC1 ZINC000265279258 402906895 /nfs/dbraw/zinc/90/68/95/402906895.db2.gz NXYXBGLBRRMSQR-UHFFFAOYSA-N 0 3 305.447 2.148 20 30 DEEDHN CO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279471462 402946266 /nfs/dbraw/zinc/94/62/66/402946266.db2.gz VOYLIDSFHDKKOS-INIZCTEOSA-N 0 3 311.389 2.079 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)[C@H]2C1 ZINC000272516466 402947215 /nfs/dbraw/zinc/94/72/15/402947215.db2.gz PHTIWVUFSAETNY-HOCLYGCPSA-N 0 3 315.442 2.203 20 30 DEEDHN N#Cc1cccnc1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000265822588 402953648 /nfs/dbraw/zinc/95/36/48/402953648.db2.gz XAEQGULPMNQUAE-QZTJIDSGSA-N 0 3 322.412 2.248 20 30 DEEDHN CN(CCN1CCOC(C)(C)C1)Cc1ccc(OCC#N)cc1 ZINC000279696122 402961237 /nfs/dbraw/zinc/96/12/37/402961237.db2.gz IEVBLTHJKRLUGS-UHFFFAOYSA-N 0 3 317.433 2.132 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)C[C@@H]1N(C)C ZINC000272321186 402923257 /nfs/dbraw/zinc/92/32/57/402923257.db2.gz IKNZZHTXGONVJQ-GJZGRUSLSA-N 0 3 318.446 2.262 20 30 DEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000273418496 403003078 /nfs/dbraw/zinc/00/30/78/403003078.db2.gz 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403027447 /nfs/dbraw/zinc/02/74/47/403027447.db2.gz VXMXHSXKMBNVIU-QGZVFWFLSA-N 0 3 313.401 2.252 20 30 DEEDHN CC(C)[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000266585747 402976064 /nfs/dbraw/zinc/97/60/64/402976064.db2.gz SLFFZAFDZTYEPX-WBVHZDCISA-N 0 3 320.458 2.371 20 30 DEEDHN N#C[C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)nc2)C1 ZINC000274220664 403036144 /nfs/dbraw/zinc/03/61/44/403036144.db2.gz PQBZQJJRJNVQCT-HOCLYGCPSA-N 0 3 300.406 2.090 20 30 DEEDHN Cc1csc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000280805432 403038868 /nfs/dbraw/zinc/03/88/68/403038868.db2.gz MDGYESWFJSDOCN-AWEZNQCLSA-N 0 3 310.382 2.322 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cncnc1)C(C)C ZINC000274306061 403043546 /nfs/dbraw/zinc/04/35/46/403043546.db2.gz CPNXLYVBVWJMPG-OAHLLOKOSA-N 0 3 303.410 2.297 20 30 DEEDHN CN(C[C@@H]1CCCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280874312 403045392 /nfs/dbraw/zinc/04/53/92/403045392.db2.gz LNSOWLJVINFVJX-DLBZAZTESA-N 0 3 311.385 2.126 20 30 DEEDHN CSCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281219430 403061510 /nfs/dbraw/zinc/06/15/10/403061510.db2.gz JOJGNMJFGTWAPC-OAHLLOKOSA-N 0 3 301.415 2.452 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCc2cccc(OC)c2)C1=O ZINC000281275954 403062405 /nfs/dbraw/zinc/06/24/05/403062405.db2.gz IHODJXFSJIGQRR-QGZVFWFLSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3cnccc3c2)CC1 ZINC000281313396 403063837 /nfs/dbraw/zinc/06/38/37/403063837.db2.gz QPDKCHBYHXLJHI-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268252681 403066960 /nfs/dbraw/zinc/06/69/60/403066960.db2.gz QTQZMQHWJSPCBP-XJKSGUPXSA-N 0 3 300.402 2.464 20 30 DEEDHN CCC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000281558801 403071186 /nfs/dbraw/zinc/07/11/86/403071186.db2.gz LQMDIOZIOBSGED-IAGOWNOFSA-N 0 3 311.385 2.268 20 30 DEEDHN CCC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000281558796 403071225 /nfs/dbraw/zinc/07/12/25/403071225.db2.gz LQMDIOZIOBSGED-DLBZAZTESA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@@H](NC(=O)N(C)CCN(C)C1CC1)c1ccc(C#N)cc1 ZINC000274633697 403073638 /nfs/dbraw/zinc/07/36/38/403073638.db2.gz XHFBADWEAMDBAA-CYBMUJFWSA-N 0 3 300.406 2.355 20 30 DEEDHN CC(C)CO[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000268342682 403075273 /nfs/dbraw/zinc/07/52/73/403075273.db2.gz ASBGOGVXQLPWGF-SJLPKXTDSA-N 0 3 318.417 2.045 20 30 DEEDHN COc1cc(CN[C@H]2CCN(c3ccccn3)C2)ccc1C#N ZINC000281615694 403075532 /nfs/dbraw/zinc/07/55/32/403075532.db2.gz HCDDMGGPMJIVDZ-INIZCTEOSA-N 0 3 308.385 2.330 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000281659703 403079124 /nfs/dbraw/zinc/07/91/24/403079124.db2.gz KRKNACWXKWNROR-SJLPKXTDSA-N 0 3 318.417 2.223 20 30 DEEDHN Cc1nc([C@H]2CCCN(CCOc3cccc(C#N)c3)C2)n[nH]1 ZINC000268506315 403089719 /nfs/dbraw/zinc/08/97/19/403089719.db2.gz TZFJHCMDBZBMDK-HNNXBMFYSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1n[nH]c([C@H]2CCCN(CCOc3cccc(C#N)c3)C2)n1 ZINC000268506315 403089721 /nfs/dbraw/zinc/08/97/21/403089721.db2.gz 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C=CCN(CCc1ccccc1)C[C@@H](O)CO[C@@H](C)COC ZINC000277999923 403278503 /nfs/dbraw/zinc/27/85/03/403278503.db2.gz AAZDONAPDBLPSM-FUHWJXTLSA-N 0 3 307.434 2.130 20 30 DEEDHN C=CCc1ccc(OC[C@@H](O)CN(C)C[C@H](C)OC)c(OC)c1 ZINC000285711706 403363396 /nfs/dbraw/zinc/36/33/96/403363396.db2.gz OXDMGMVIZXLMOY-HOCLYGCPSA-N 0 3 323.433 2.130 20 30 DEEDHN COC(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285471809 403304290 /nfs/dbraw/zinc/30/42/90/403304290.db2.gz KRUKGVFPVNHTAZ-UHFFFAOYSA-N 0 3 306.337 2.104 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000298075031 403315464 /nfs/dbraw/zinc/31/54/64/403315464.db2.gz VERVMKSOJNPZRD-DLBZAZTESA-N 0 3 317.433 2.255 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)c2cc(C#N)ccc2Cl)CCSC1 ZINC000285917451 403409870 /nfs/dbraw/zinc/40/98/70/403409870.db2.gz CEMOFHBWHJEZAP-OAHLLOKOSA-N 0 3 323.849 2.379 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000345811520 403492930 /nfs/dbraw/zinc/49/29/30/403492930.db2.gz HFZAHKZEWJRVKL-RBSFLKMASA-N 0 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ZINC000357791124 404743602 /nfs/dbraw/zinc/74/36/02/404743602.db2.gz FZONQHBNKHKTOP-AWEZNQCLSA-N 0 3 300.406 2.235 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnccc1C#N)C(C)C ZINC000358237690 404757163 /nfs/dbraw/zinc/75/71/63/404757163.db2.gz AHDBQHONKHJXMZ-QGZVFWFLSA-N 0 3 312.417 2.382 20 30 DEEDHN CN(CCSc1nnc(CC#N)n1C)Cc1ccc(F)cc1 ZINC000357047258 404725927 /nfs/dbraw/zinc/72/59/27/404725927.db2.gz FIZGKDZVKXYGPS-UHFFFAOYSA-N 0 3 319.409 2.244 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(O)cc2)CC1 ZINC000359126095 404784729 /nfs/dbraw/zinc/78/47/29/404784729.db2.gz NKDSBNWMZCMWSB-UHFFFAOYSA-N 0 3 317.433 2.274 20 30 DEEDHN C[C@@H](C(=O)NC[C@]1(N(C)C)CCSC1)c1cccc(C#N)c1 ZINC000360331588 404825242 /nfs/dbraw/zinc/82/52/42/404825242.db2.gz FJBHWULLKODWAE-CXAGYDPISA-N 0 3 317.458 2.215 20 30 DEEDHN C=CCN(CCC(C)(C)O)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000360470343 404828745 /nfs/dbraw/zinc/82/87/45/404828745.db2.gz SRTWYXSNDSCWOQ-AWEZNQCLSA-N 0 3 315.421 2.372 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000353451388 404834388 /nfs/dbraw/zinc/83/43/88/404834388.db2.gz WTZMSAHRQZUMEV-XYJFISCASA-N 0 3 307.482 2.073 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(C)(COC)CC2)CC1 ZINC000358788789 404774956 /nfs/dbraw/zinc/77/49/56/404774956.db2.gz LUWFKHFPBXFJLT-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)CN1 ZINC000415557853 404883521 /nfs/dbraw/zinc/88/35/21/404883521.db2.gz DMRRXSVCGOJXSA-RYUDHWBXSA-N 0 3 303.410 2.329 20 30 DEEDHN C=CCOc1ccccc1CN1CCC[C@]2(CNC(=O)C2)C1 ZINC000353749997 404955335 /nfs/dbraw/zinc/95/53/35/404955335.db2.gz XGYNWWKXSADORG-SFHVURJKSA-N 0 3 300.402 2.354 20 30 DEEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)n(Cc2ccccc2)n1 ZINC000424089727 405001728 /nfs/dbraw/zinc/00/17/28/405001728.db2.gz WKILHBVDHOPWQH-OAHLLOKOSA-N 0 3 311.389 2.200 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000424102015 405007680 /nfs/dbraw/zinc/00/76/80/405007680.db2.gz QEKVTBWESODREK-AWEZNQCLSA-N 0 3 311.345 2.229 20 30 DEEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)CCCC#N ZINC000424108172 405008522 /nfs/dbraw/zinc/00/85/22/405008522.db2.gz VVADEZGEZMLRLC-HNNXBMFYSA-N 0 3 318.377 2.353 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000424118360 405012950 /nfs/dbraw/zinc/01/29/50/405012950.db2.gz DHICMOUXIZDZKM-GOEBONIOSA-N 0 3 303.381 2.238 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1csc(-c2ccco2)n1 ZINC000424118913 405012958 /nfs/dbraw/zinc/01/29/58/405012958.db2.gz DVGUEFSTSQVIQO-LLVKDONJSA-N 0 3 304.375 2.040 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1nc(C2CCCCC2)no1 ZINC000424121150 405014441 /nfs/dbraw/zinc/01/44/41/405014441.db2.gz IDUQAEUSXOPOPZ-DGCLKSJQSA-N 0 3 319.409 2.316 20 30 DEEDHN CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](N)CCCC#N)cs1 ZINC000424143030 405019870 /nfs/dbraw/zinc/01/98/70/405019870.db2.gz JIFHSLDFMVXHPX-YPMHNXCESA-N 0 3 324.450 2.220 20 30 DEEDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1[N+](=O)[O-] ZINC000424149397 405022847 /nfs/dbraw/zinc/02/28/47/405022847.db2.gz HCWWGRRDIPYCTA-YPMHNXCESA-N 0 3 304.350 2.102 20 30 DEEDHN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H](N)CCCC#N ZINC000424147644 405022927 /nfs/dbraw/zinc/02/29/27/405022927.db2.gz RXUQGWHKUAOPTG-NSHDSACASA-N 0 3 306.435 2.001 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000424175366 405029134 /nfs/dbraw/zinc/02/91/34/405029134.db2.gz PYZXTQCJPFHGCV-GXTWGEPZSA-N 0 3 321.808 2.341 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000424189226 405033439 /nfs/dbraw/zinc/03/34/39/405033439.db2.gz MCUNXKJPWWBDAD-CQSZACIVSA-N 0 3 316.380 2.162 20 30 DEEDHN CC(C)OC[C@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000451420699 404989602 /nfs/dbraw/zinc/98/96/02/404989602.db2.gz RBIRXUNAUCJLCU-IRXDYDNUSA-N 0 3 318.417 2.003 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000424063533 404991135 /nfs/dbraw/zinc/99/11/35/404991135.db2.gz MXUCIRZVOXWZJL-SNVBAGLBSA-N 0 3 309.753 2.071 20 30 DEEDHN C#C[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000367527296 405074158 /nfs/dbraw/zinc/07/41/58/405074158.db2.gz NJSMNSKTNNMKSS-DZGCQCFKSA-N 0 3 306.356 2.282 20 30 DEEDHN CC#CCCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000361644011 405178467 /nfs/dbraw/zinc/17/84/67/405178467.db2.gz OXCPTLYMTRCVLV-UHFFFAOYSA-N 0 3 314.433 2.353 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000437779971 405219486 /nfs/dbraw/zinc/21/94/86/405219486.db2.gz VENWTLXCHJWMCG-XHSDSOJGSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000437731527 405217507 /nfs/dbraw/zinc/21/75/07/405217507.db2.gz USHQQAGHPJZENA-XHSDSOJGSA-N 0 3 309.454 2.141 20 30 DEEDHN CC(C)(C)CCN1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419643565 405261341 /nfs/dbraw/zinc/26/13/41/405261341.db2.gz LGVYJLANPCZVNX-UHFFFAOYSA-N 0 3 306.454 2.444 20 30 DEEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H](CN)CCCC ZINC000420128045 405289675 /nfs/dbraw/zinc/28/96/75/405289675.db2.gz SUDIWNMEPBJBKB-MRXNPFEDSA-N 0 3 323.481 2.215 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000439460659 405279445 /nfs/dbraw/zinc/27/94/45/405279445.db2.gz XXJOSBPYSFCLHZ-HNNXBMFYSA-N 0 3 319.836 2.366 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000438052504 405229566 /nfs/dbraw/zinc/22/95/66/405229566.db2.gz IZPZBJKYPBQVII-BBWFWOEESA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCOCC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452736613 405235842 /nfs/dbraw/zinc/23/58/42/405235842.db2.gz ZPWQXRAYSPBOQB-UHFFFAOYSA-N 0 3 302.418 2.360 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(C)c2)CC1 ZINC000454467747 405349904 /nfs/dbraw/zinc/34/99/04/405349904.db2.gz RSBPOEQCHNPIMQ-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429010960 405425844 /nfs/dbraw/zinc/42/58/44/405425844.db2.gz RLJYXMLOXGGELG-ZJPYXAASSA-N 0 3 321.509 2.462 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000448689143 405436901 /nfs/dbraw/zinc/43/69/01/405436901.db2.gz GRPFENVPLHWRAX-BBRMVZONSA-N 0 3 307.463 2.014 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000448702918 405439005 /nfs/dbraw/zinc/43/90/05/405439005.db2.gz WKZDJNIXFBNCRO-KURKYZTESA-N 0 3 314.429 2.358 20 30 DEEDHN CN(CCNC(=O)c1cccc(C#N)c1Br)C1CC1 ZINC000448792262 405448885 /nfs/dbraw/zinc/44/88/85/405448885.db2.gz CAQAYQGHTGDPNS-UHFFFAOYSA-N 0 3 322.206 2.145 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000577623472 405482846 /nfs/dbraw/zinc/48/28/46/405482846.db2.gz QJUNSBCVTHSVSC-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000494270367 405671916 /nfs/dbraw/zinc/67/19/16/405671916.db2.gz HARVPTHKBRXXAH-HDMKZQKVSA-N 0 3 315.417 2.479 20 30 DEEDHN COCCC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528580904 405674029 /nfs/dbraw/zinc/67/40/29/405674029.db2.gz IQSMNFQXJUHXQE-QGZVFWFLSA-N 0 3 318.417 2.046 20 30 DEEDHN C=CCNC(=O)CN1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC000528635960 405690604 /nfs/dbraw/zinc/69/06/04/405690604.db2.gz BTPYULRVZKADRJ-SFHVURJKSA-N 0 3 315.461 2.131 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000432095435 405721763 /nfs/dbraw/zinc/72/17/63/405721763.db2.gz ICZJKHKADIGXHU-MRXNPFEDSA-N 0 3 324.513 2.162 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000432095434 405721885 /nfs/dbraw/zinc/72/18/85/405721885.db2.gz ICZJKHKADIGXHU-INIZCTEOSA-N 0 3 324.513 2.162 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](CCCO)C1 ZINC000457144305 405723023 /nfs/dbraw/zinc/72/30/23/405723023.db2.gz MUJGJRHVFNKNBL-SJORKVTESA-N 0 3 300.402 2.380 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000450108898 405742037 /nfs/dbraw/zinc/74/20/37/405742037.db2.gz YVTUUDYMZNIWRN-OWLYRPNTSA-N 0 3 314.429 2.357 20 30 DEEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000528928174 405743973 /nfs/dbraw/zinc/74/39/73/405743973.db2.gz NCKAECPBHOVICA-CYBMUJFWSA-N 0 3 310.361 2.026 20 30 DEEDHN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(C)C#N ZINC000494989465 405794263 /nfs/dbraw/zinc/79/42/63/405794263.db2.gz DXBMZBQWGDYNHA-OLZOCXBDSA-N 0 3 309.410 2.394 20 30 DEEDHN N#CC(C(=O)c1cnn(CC2CC2)c1)c1nnc2n1CCCCC2 ZINC000633900610 405897989 /nfs/dbraw/zinc/89/79/89/405897989.db2.gz ROKXVVAOVOIYMF-CQSZACIVSA-N 0 3 324.388 2.101 20 30 DEEDHN C=CCOc1ccccc1CN1CCC2(COC(=O)N2)CC1 ZINC000495301522 405868981 /nfs/dbraw/zinc/86/89/81/405868981.db2.gz FTCWSOWHDVLMAE-UHFFFAOYSA-N 0 3 302.374 2.326 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000495827411 405935774 /nfs/dbraw/zinc/93/57/74/405935774.db2.gz NJYHCBYKSRKIJO-QLFBSQMISA-N 0 3 321.421 2.396 20 30 DEEDHN N#CCSCCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000495895641 405938672 /nfs/dbraw/zinc/93/86/72/405938672.db2.gz VJQMYQLYDPCYMD-CQSZACIVSA-N 0 3 311.451 2.376 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802016 406053021 /nfs/dbraw/zinc/05/30/21/406053021.db2.gz LVYMODAHTQLKAY-DLBZAZTESA-N 0 3 306.450 2.060 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCC2(C#N)CC2)CN1Cc1ccccc1 ZINC000562936985 406056370 /nfs/dbraw/zinc/05/63/70/406056370.db2.gz ASEHDVLNXCIMSO-ZBFHGGJFSA-N 0 3 312.417 2.252 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000565229179 406070725 /nfs/dbraw/zinc/07/07/25/406070725.db2.gz PWGKBYXSFZNSGU-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cncnc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000565654006 406077270 /nfs/dbraw/zinc/07/72/70/406077270.db2.gz GPHKKEBZDLPDRD-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN C=C(C)CN(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000487115663 406206571 /nfs/dbraw/zinc/20/65/71/406206571.db2.gz MFVQZVPMUIRZKI-UHFFFAOYSA-N 0 3 301.434 2.303 20 30 DEEDHN C=CCOc1cccc(CNCCN2CCO[C@H](CC)C2)c1 ZINC000487167742 406211729 /nfs/dbraw/zinc/21/17/29/406211729.db2.gz RAYMQTPQUZLBEU-QGZVFWFLSA-N 0 3 304.434 2.452 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]([C@H](C)O)C1 ZINC000536356464 406255411 /nfs/dbraw/zinc/25/54/11/406255411.db2.gz WDBXFXMYSLSGDH-RYQLBKOJSA-N 0 3 319.445 2.248 20 30 DEEDHN Cc1cc(CN(CCO)CCOCC(F)(F)F)ccc1C#N ZINC000487904956 406270673 /nfs/dbraw/zinc/27/06/73/406270673.db2.gz HBRVLGCOCZOFQI-UHFFFAOYSA-N 0 3 316.323 2.240 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1Nc1cc(N[C@@H]2CCO[C@H]2C=C)nc(C)n1 ZINC000570159016 406353331 /nfs/dbraw/zinc/35/33/31/406353331.db2.gz DNFGMHDPVMMSPV-KBXIAJHMSA-N 0 3 316.405 2.296 20 30 DEEDHN C=CCC1(C(=O)NC[C@@]2(O)CN3CCC2CC3)CCCCC1 ZINC000570176239 406358582 /nfs/dbraw/zinc/35/85/82/406358582.db2.gz QFBCPGLDGACGQL-GOSISDBHSA-N 0 3 306.450 2.086 20 30 DEEDHN C=CCC1(C(=O)NC[C@]2(O)CN3CCC2CC3)CCCCC1 ZINC000570176240 406358897 /nfs/dbraw/zinc/35/88/97/406358897.db2.gz QFBCPGLDGACGQL-SFHVURJKSA-N 0 3 306.450 2.086 20 30 DEEDHN COCCN(CCOc1ccccc1C#N)[C@H]1CCO[C@@H]1C ZINC000489406172 406403330 /nfs/dbraw/zinc/40/33/30/406403330.db2.gz OCSSDLPOVLZIDR-ZBFHGGJFSA-N 0 3 304.390 2.063 20 30 DEEDHN Cc1ccc(OCCNCc2cnc3c(C#N)cnn3c2)c(C)c1 ZINC000570647513 406420773 /nfs/dbraw/zinc/42/07/73/406420773.db2.gz JAISDHPURCYFGF-UHFFFAOYSA-N 0 3 321.384 2.386 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000490292194 406459399 /nfs/dbraw/zinc/45/93/99/406459399.db2.gz UAMHPLPHIZLHCC-CYBMUJFWSA-N 0 3 301.365 2.398 20 30 DEEDHN C=CCOCCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640567911 406547583 /nfs/dbraw/zinc/54/75/83/406547583.db2.gz UCAYUDAJRIKTNJ-KBPBESRZSA-N 0 3 303.324 2.313 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000491228597 406548447 /nfs/dbraw/zinc/54/84/47/406548447.db2.gz AXWWJRFDNDONOR-ICSRJNTNSA-N 0 3 310.441 2.352 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(C2CCCC2)c1CC ZINC000491307038 406565728 /nfs/dbraw/zinc/56/57/28/406565728.db2.gz OOCFNVDPUUVLBK-UHFFFAOYSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000490948023 406509977 /nfs/dbraw/zinc/50/99/77/406509977.db2.gz CNGZECJFOCPOJP-JKSUJKDBSA-N 0 3 306.450 2.040 20 30 DEEDHN C#CCNC(=O)CCN(C)Cc1ccc(Br)cc1 ZINC000491066429 406523557 /nfs/dbraw/zinc/52/35/57/406523557.db2.gz CEVABFCPDMOYLF-UHFFFAOYSA-N 0 3 309.207 2.020 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000491554117 406619380 /nfs/dbraw/zinc/61/93/80/406619380.db2.gz GJVJIQMNKMCXDJ-UHFFFAOYSA-N 0 3 311.429 2.199 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc(-c2cscn2)c1 ZINC000491350681 406573880 /nfs/dbraw/zinc/57/38/80/406573880.db2.gz PHDGCVNDWPGGNL-UHFFFAOYSA-N 0 3 313.426 2.495 20 30 DEEDHN C#CCN(C[C@H](O)CO[C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000491370657 406579581 /nfs/dbraw/zinc/57/95/81/406579581.db2.gz ADNGTEFPEKLZMS-HHXXYDBFSA-N 0 3 317.429 2.022 20 30 DEEDHN C=CCn1c(C)cc(C(=O)Cn2cc([C@](C)(N)CC)nn2)c1C ZINC000640799370 406667425 /nfs/dbraw/zinc/66/74/25/406667425.db2.gz DXONXXJGLNAAFR-QGZVFWFLSA-N 0 3 315.421 2.349 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000491682067 406667914 /nfs/dbraw/zinc/66/79/14/406667914.db2.gz PPPLISZSMHJHRV-YFZPWRCSSA-N 0 3 303.402 2.422 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640924263 406742799 /nfs/dbraw/zinc/74/27/99/406742799.db2.gz TWABMXIVXOWPDP-TZMCWYRMSA-N 0 3 307.442 2.310 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CN1C1CC1 ZINC000572939376 406766854 /nfs/dbraw/zinc/76/68/54/406766854.db2.gz MFOBGWJFEDSFLH-OYYDLILQSA-N 0 3 309.413 2.403 20 30 DEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000491771051 406710550 /nfs/dbraw/zinc/71/05/50/406710550.db2.gz PUTHJIYIXORYHR-AWEZNQCLSA-N 0 3 313.401 2.096 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)NCC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000573472788 406773344 /nfs/dbraw/zinc/77/33/44/406773344.db2.gz CYZHYXAXMIEKOD-ZBFHGGJFSA-N 0 3 312.417 2.252 20 30 DEEDHN Cn1ncc2c1CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000576089187 406828459 /nfs/dbraw/zinc/82/84/59/406828459.db2.gz LHCGZZANQWIMGY-MRXNPFEDSA-N 0 3 322.412 2.467 20 30 DEEDHN N#Cc1cccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c1F ZINC000555759033 406853504 /nfs/dbraw/zinc/85/35/04/406853504.db2.gz DVNXYBDZBMASMN-DLBZAZTESA-N 0 3 304.365 2.107 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(CC(F)F)C2)CC1 ZINC000645266077 407255771 /nfs/dbraw/zinc/25/57/71/407255771.db2.gz LDFPSDGBAFAKHD-UHFFFAOYSA-N 0 3 301.381 2.324 20 30 DEEDHN C=CC[C@H](CO)NCc1c(Cl)cccc1N1CCOCC1 ZINC000645171715 407241546 /nfs/dbraw/zinc/24/15/46/407241546.db2.gz DAPRTBWDOPESGP-CYBMUJFWSA-N 0 3 310.825 2.203 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2sc(COC)nc2C)CC1 ZINC000130893926 196119522 /nfs/dbraw/zinc/11/95/22/196119522.db2.gz GUIQTTONGRUDII-UHFFFAOYSA-N 0 3 323.462 2.368 20 30 DEEDHN C=CCC[C@H](NC(=O)NC[C@](C)(O)CN(C)C)c1ccccc1 ZINC000131709899 196192942 /nfs/dbraw/zinc/19/29/42/196192942.db2.gz AGVBYKDHHNAGKW-WMZOPIPTSA-N 0 3 319.449 2.306 20 30 DEEDHN CN(C)C1(CN(C)C(=O)Cc2cccc(OCC#N)c2)CCC1 ZINC000187985631 225005585 /nfs/dbraw/zinc/00/55/85/225005585.db2.gz KNXDRGBIYYACJZ-UHFFFAOYSA-N 0 3 315.417 2.074 20 30 DEEDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000192790917 225143017 /nfs/dbraw/zinc/14/30/17/225143017.db2.gz PHTSUSWSNBFLDM-XJKSGUPXSA-N 0 3 306.431 2.403 20 30 DEEDHN CN(C(=O)CNC(=N)Nc1cc(F)ccc1F)C1CCCCC1 ZINC000262256718 225266277 /nfs/dbraw/zinc/26/62/77/225266277.db2.gz FKJRXVXTRFVUDO-UHFFFAOYSA-N 0 3 324.375 2.483 20 30 DEEDHN Cc1ccc(NC(=[NH2+])NCc2nnc(C(F)(F)F)[n-]2)cc1C ZINC000262547447 225277746 /nfs/dbraw/zinc/27/77/46/225277746.db2.gz SIVPGRFOQFPWOV-UHFFFAOYSA-N 0 3 312.299 2.367 20 30 DEEDHN Cc1ccc(NC(=[NH2+])NCc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000262547447 225277753 /nfs/dbraw/zinc/27/77/53/225277753.db2.gz SIVPGRFOQFPWOV-UHFFFAOYSA-N 0 3 312.299 2.367 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cn2)CCO1 ZINC000248705403 225239575 /nfs/dbraw/zinc/23/95/75/225239575.db2.gz ASEIRNJNFQNLMB-INMHGKMJSA-N 0 3 314.433 2.479 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc(CC#N)cc2)CCSC1 ZINC000267211345 225350899 /nfs/dbraw/zinc/35/08/99/225350899.db2.gz SGVLBHGPFMJASN-MRXNPFEDSA-N 0 3 318.446 2.311 20 30 DEEDHN C#CCN(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000291202721 222218911 /nfs/dbraw/zinc/21/89/11/222218911.db2.gz ITXRFJBUUARAQP-AWEZNQCLSA-N 0 3 305.447 2.235 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000299595593 229243085 /nfs/dbraw/zinc/24/30/85/229243085.db2.gz FCDHYZSVDQMSGI-KRWDZBQOSA-N 0 3 313.401 2.388 20 30 DEEDHN C[C@@H]1CN(c2cc(Cl)ccc2C#N)CCN1CC(C)(C)O ZINC000302504822 230277070 /nfs/dbraw/zinc/27/70/70/230277070.db2.gz QAZRILHMCXYBOM-GFCCVEGCSA-N 0 3 307.825 2.493 20 30 DEEDHN Cc1cc(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)ncc1C#N ZINC000603112387 422442995 /nfs/dbraw/zinc/44/29/95/422442995.db2.gz HQVDKNUSGXAYMH-HIFRSBDPSA-N 0 3 313.405 2.352 20 30 DEEDHN C[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(OCC#N)cc1 ZINC000834916358 649860188 /nfs/dbraw/zinc/86/01/88/649860188.db2.gz WNHVYJWRCAZTSY-LXZKKBNFSA-N 0 3 313.401 2.393 20 30 DEEDHN C=CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000043526591 424811613 /nfs/dbraw/zinc/81/16/13/424811613.db2.gz HJOJIXMOXLUYJJ-UHFFFAOYSA-N 0 3 302.422 2.444 20 30 DEEDHN CC(C)[C@@H](CNc1cc(C#N)ncn1)N1CCc2ccccc2C1 ZINC000570579764 424928081 /nfs/dbraw/zinc/92/80/81/424928081.db2.gz CMGQPKXEXHCQBG-GOSISDBHSA-N 0 3 321.428 2.843 20 30 DEEDHN N#C[C@@H]1CC[C@H](NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000574001498 424941872 /nfs/dbraw/zinc/94/18/72/424941872.db2.gz WMUVIBMZUCRMHP-ZBFHGGJFSA-N 0 3 307.401 2.837 20 30 DEEDHN C=CCn1cc(C(=O)N(CCN(C)C)CC2CCCCC2)nn1 ZINC000648746535 424901813 /nfs/dbraw/zinc/90/18/13/424901813.db2.gz DWDJSRPLBGYSAF-UHFFFAOYSA-N 0 3 319.453 2.048 20 30 DEEDHN C=CCC1(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCCCC1 ZINC000649069690 424950949 /nfs/dbraw/zinc/95/09/49/424950949.db2.gz XXKHBLDYBOFSSB-HNNXBMFYSA-N 0 3 321.465 2.091 20 30 DEEDHN CSc1ccc([C@H](CNc2cc(C#N)cnn2)N(C)C)cc1 ZINC000596245966 425022513 /nfs/dbraw/zinc/02/25/13/425022513.db2.gz CKLQYBILNYDLDZ-HNNXBMFYSA-N 0 3 313.430 2.785 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649780959 425079392 /nfs/dbraw/zinc/07/93/92/425079392.db2.gz KVWVYIVFBAMCFC-YUELXQCFSA-N 0 3 305.422 2.385 20 30 DEEDHN C=CCCn1cc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)nn1 ZINC000653586772 425185182 /nfs/dbraw/zinc/18/51/82/425185182.db2.gz ANFFPJZBOOFCAQ-CRAIPNDOSA-N 0 3 315.465 2.303 20 30 DEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)[C@@H](C)COC ZINC000663794517 425238565 /nfs/dbraw/zinc/23/85/65/425238565.db2.gz WQJJTFKFIOAHGT-OAGGEKHMSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000660706032 425212457 /nfs/dbraw/zinc/21/24/57/425212457.db2.gz ZTAVQUFPSXCXAD-OWCLPIDISA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCCn1cc(CN2CCN(C)C3(CCCCC3)C2)nn1 ZINC000653722287 425216601 /nfs/dbraw/zinc/21/66/01/425216601.db2.gz WKDGLBSJGWZMSO-UHFFFAOYSA-N 0 3 303.454 2.305 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000654313973 425325169 /nfs/dbraw/zinc/32/51/69/425325169.db2.gz GDEAKZIYZXVANE-CVEARBPZSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCOCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000660956636 425286218 /nfs/dbraw/zinc/28/62/18/425286218.db2.gz BTFBUNUPTJGNAV-IRXDYDNUSA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3ccc(O)cc32)CC1 ZINC000664019353 425289757 /nfs/dbraw/zinc/28/97/57/425289757.db2.gz IVORTRAFASXCAS-KRWDZBQOSA-N 0 3 315.417 2.329 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N(C)CCN1CCCCC1 ZINC000652625117 425306847 /nfs/dbraw/zinc/30/68/47/425306847.db2.gz XCVARGAGQLJQKD-UHFFFAOYSA-N 0 3 321.469 2.313 20 30 DEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000661379924 425394192 /nfs/dbraw/zinc/39/41/92/425394192.db2.gz JJWYQDNVXHSESL-KGLIPLIRSA-N 0 3 315.417 2.401 20 30 DEEDHN C=CC[C@@H]1CCCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000661383499 425396574 /nfs/dbraw/zinc/39/65/74/425396574.db2.gz DJFHRTWRCIKYEO-CQSZACIVSA-N 0 3 308.447 2.383 20 30 DEEDHN C=CCC1(NC(=O)c2ccn(CCN(C)C)n2)CCCCC1 ZINC000655140292 425505836 /nfs/dbraw/zinc/50/58/36/425505836.db2.gz QFESKCOLIHSEOD-UHFFFAOYSA-N 0 3 304.438 2.454 20 30 DEEDHN C=CCN(CC(=O)NCc1ccc2c(c1)OCO2)C(C)(C)C ZINC000661756612 425495046 /nfs/dbraw/zinc/49/50/46/425495046.db2.gz SSRHOKXFSUFEPI-UHFFFAOYSA-N 0 3 304.390 2.318 20 30 DEEDHN NC[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000655516309 425588424 /nfs/dbraw/zinc/58/84/24/425588424.db2.gz SERLCOWXWGCTGJ-MRVPVSSYSA-N 0 3 318.192 2.464 20 30 DEEDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(C#N)cn2)C1 ZINC000496477596 269222282 /nfs/dbraw/zinc/22/22/82/269222282.db2.gz HYWUXXCVWKOKSC-DZGCQCFKSA-N 0 3 316.405 2.300 20 30 DEEDHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000425446585 274222223 /nfs/dbraw/zinc/22/22/23/274222223.db2.gz QEOFYINATOJHDN-BHYGNILZSA-N 0 3 314.433 2.498 20 30 DEEDHN C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000323664413 274273716 /nfs/dbraw/zinc/27/37/16/274273716.db2.gz VIRVICRHNFONGC-CVEARBPZSA-N 0 3 321.465 2.345 20 30 DEEDHN O[C@@H]1CCC[C@@H]1N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000362156559 275053655 /nfs/dbraw/zinc/05/36/55/275053655.db2.gz QEOVUSLDBQHGCK-ZWKOTPCHSA-N 0 3 318.848 2.223 20 30 DEEDHN O[C@H]1CCC[C@@H]1N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000362156558 275058594 /nfs/dbraw/zinc/05/85/94/275058594.db2.gz QEOVUSLDBQHGCK-ROUUACIJSA-N 0 3 318.848 2.223 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000330442668 276036774 /nfs/dbraw/zinc/03/67/74/276036774.db2.gz FLQNEIUYYZUFSH-HFTRVMKXSA-N 0 3 321.465 2.178 20 30 DEEDHN CCN1CCC(NC(=O)/C=C\c2ccc(OCC#N)cc2)CC1 ZINC000491027182 276149806 /nfs/dbraw/zinc/14/98/06/276149806.db2.gz XZHVEEGIQXBKRT-YVMONPNESA-N 0 3 313.401 2.203 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039242 276902335 /nfs/dbraw/zinc/90/23/35/276902335.db2.gz BWMUXAFSGSCCJQ-KCPJHIHWSA-N 0 3 308.809 2.450 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000330376002 277091197 /nfs/dbraw/zinc/09/11/97/277091197.db2.gz DFQFHYBOSQHSKE-LSDHHAIUSA-N 0 3 308.422 2.218 20 30 DEEDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000362713111 277233396 /nfs/dbraw/zinc/23/33/96/277233396.db2.gz SGVXZBLKYNQJAS-KBRIMQKVSA-N 0 3 304.390 2.029 20 30 DEEDHN C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000452171304 278397096 /nfs/dbraw/zinc/39/70/96/278397096.db2.gz PZMYCEZDPDWJKL-OAHLLOKOSA-N 0 3 311.429 2.434 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328762719 279295919 /nfs/dbraw/zinc/29/59/19/279295919.db2.gz ZLVGXIPZWVFJEW-ZIAGYGMSSA-N 0 3 322.453 2.358 20 30 DEEDHN C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)[C@@H]2CCCC[C@H]21 ZINC000248438041 288137866 /nfs/dbraw/zinc/13/78/66/288137866.db2.gz SUKQKWNNOBTQCV-OWCLPIDISA-N 0 3 302.422 2.153 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000331281498 280103987 /nfs/dbraw/zinc/10/39/87/280103987.db2.gz CJRUNQBDUPNLJW-GDZNZVCISA-N 0 3 309.454 2.365 20 30 DEEDHN CC[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C#N)cc1 ZINC000278733005 280194058 /nfs/dbraw/zinc/19/40/58/280194058.db2.gz MUKIIPLQDQJKRN-HZPDHXFCSA-N 0 3 321.446 2.023 20 30 DEEDHN CN(C)C1(CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)CCC1 ZINC000328714139 282025631 /nfs/dbraw/zinc/02/56/31/282025631.db2.gz CFRSETKDJBDKJF-GFCCVEGCSA-N 0 3 308.426 2.016 20 30 DEEDHN C[C@H](N[C@H]1CCCC[C@@H]1OC(F)F)C(=O)NC1(C#N)CCC1 ZINC000337382555 290044185 /nfs/dbraw/zinc/04/41/85/290044185.db2.gz DRJATNMCHPCACL-SRVKXCTJSA-N 0 3 315.364 2.077 20 30 DEEDHN COC[C@]1(C(=O)OC)CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000296177838 293277780 /nfs/dbraw/zinc/27/77/80/293277780.db2.gz IECPVRDRWGVIBH-DYVFJYSZSA-N 0 3 302.374 2.131 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)CN1C1CC1 ZINC000329301392 297320168 /nfs/dbraw/zinc/32/01/68/297320168.db2.gz WDQWLLHUTFAPIU-DVOMOZLQSA-N 0 3 317.437 2.476 20 30 DEEDHN C#CCN(C(=O)N[C@H](C)c1ncccc1C)C1CCN(C)CC1 ZINC001349370236 1151244866 /nfs/dbraw/zinc/24/48/66/1151244866.db2.gz VHNPRDSBZCLDCE-OAHLLOKOSA-N 0 3 314.433 2.190 20 30 DEEDHN OC1CCN(c2ccc(C=NN[C@H]3CCCSC3)cc2)CC1 ZINC001349854275 1151299088 /nfs/dbraw/zinc/29/90/88/1151299088.db2.gz MOWLEPQSCCETQD-HNNXBMFYSA-N 0 3 319.474 2.467 20 30 DEEDHN C[C@H](Cc1cccc(O)c1)NCc1cnc2c(C#N)cnn2c1 ZINC000575010893 326210443 /nfs/dbraw/zinc/21/04/43/326210443.db2.gz FRNJDGYDYWUZAG-GFCCVEGCSA-N 0 3 307.357 2.027 20 30 DEEDHN Cc1cc(N2CC[C@H](N3CCCC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000577469326 326368734 /nfs/dbraw/zinc/36/87/34/326368734.db2.gz XJWSIDRXUZOPJF-AWEZNQCLSA-N 0 3 300.362 2.449 20 30 DEEDHN Cc1cc(N2CC[C@@H](N3CCCC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000577469330 326368807 /nfs/dbraw/zinc/36/88/07/326368807.db2.gz XJWSIDRXUZOPJF-CQSZACIVSA-N 0 3 300.362 2.449 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000518308384 332010843 /nfs/dbraw/zinc/01/08/43/332010843.db2.gz AHKWCXTYSSHXPR-IMJJTQAJSA-N 0 3 309.431 2.172 20 30 DEEDHN CC(C)NC(=O)CCNCc1cccc(OCCCC#N)c1 ZINC000236634171 332200973 /nfs/dbraw/zinc/20/09/73/332200973.db2.gz KJNIZFIJLCGIHE-UHFFFAOYSA-N 0 3 303.406 2.373 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000563036702 333104465 /nfs/dbraw/zinc/10/44/65/333104465.db2.gz RETQZGYBBKECKJ-DOTOQJQBSA-N 0 3 321.465 2.237 20 30 DEEDHN C=C(Cl)CN1CCC(N(CCC)C(=O)Cc2c[nH]cn2)CC1 ZINC001376186814 1159207609 /nfs/dbraw/zinc/20/76/09/1159207609.db2.gz UJGOPNAGPGIKBL-UHFFFAOYSA-N 0 3 324.856 2.408 20 30 DEEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)CSCC#N)C1CC1 ZINC000185315971 333207024 /nfs/dbraw/zinc/20/70/24/333207024.db2.gz QLNDTVICCCWTFQ-INIZCTEOSA-N 0 3 317.458 2.270 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC1(CC(=O)OC)CCCCC1 ZINC000532721680 336268382 /nfs/dbraw/zinc/26/83/82/336268382.db2.gz WAWCDIOSQZEGJW-UHFFFAOYSA-N 0 3 310.438 2.267 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc3nnc(C4CC4)n3n2)CC1 ZINC000301156738 336292427 /nfs/dbraw/zinc/29/24/27/336292427.db2.gz AOJIGXMGWNRHKO-UHFFFAOYSA-N 0 3 312.421 2.454 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)[C@H]1C ZINC001088995965 782105082 /nfs/dbraw/zinc/10/50/82/782105082.db2.gz UDRYPDSDGLKIIY-PMPSAXMXSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3sc4nccn4c3C)C2)C1 ZINC001072821266 790261018 /nfs/dbraw/zinc/26/10/18/790261018.db2.gz FXNRNURMLHKFPX-UHFFFAOYSA-N 0 3 316.430 2.038 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2occ3c2CCCC3)[C@H]1C ZINC001089003777 782109899 /nfs/dbraw/zinc/10/98/99/782109899.db2.gz IXQDYTAHSUHRKC-CJNGLKHVSA-N 0 3 300.402 2.374 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(C#N)n1 ZINC000583692053 336965630 /nfs/dbraw/zinc/96/56/30/336965630.db2.gz BZHORRHRFAMVFS-LBPRGKRZSA-N 0 3 301.394 2.147 20 30 DEEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ncncc1C#N ZINC000398019115 337304055 /nfs/dbraw/zinc/30/40/55/337304055.db2.gz JBCWYRQTCAZKJM-QGZVFWFLSA-N 0 3 309.417 2.339 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nnc(CCC)s2)CC1 ZINC000264385092 337632598 /nfs/dbraw/zinc/63/25/98/337632598.db2.gz VMLACIXPEIEEFV-UHFFFAOYSA-N 0 3 309.439 2.263 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000429727597 338088551 /nfs/dbraw/zinc/08/85/51/338088551.db2.gz CFUBATNGDRWQSV-BRWVUGGUSA-N 0 3 309.498 2.367 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000495658444 339989506 /nfs/dbraw/zinc/98/95/06/339989506.db2.gz OKZGBGARZHBLMU-ZDUSSCGKSA-N 0 3 311.426 2.246 20 30 DEEDHN C#Cc1cccc(CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000496515415 340006994 /nfs/dbraw/zinc/00/69/94/340006994.db2.gz UHAJOGONJHUVLX-GOSISDBHSA-N 0 3 318.417 2.033 20 30 DEEDHN CC(CCCNC(=O)OC(C)(C)C)=NNC1CCN(C)CC1 ZINC000496776101 340012694 /nfs/dbraw/zinc/01/26/94/340012694.db2.gz WEXKRCYPUOMORF-UHFFFAOYSA-N 0 3 312.458 2.351 20 30 DEEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2COCCN2)cc1 ZINC000530224427 340783164 /nfs/dbraw/zinc/78/31/64/340783164.db2.gz RJZZTUQQGGZTPN-HIFRSBDPSA-N 0 3 310.825 2.457 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000072501334 341087487 /nfs/dbraw/zinc/08/74/87/341087487.db2.gz BAQBXTREIGWNLU-JCVNQNCUSA-N 0 3 313.401 2.203 20 30 DEEDHN CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000545862816 341143446 /nfs/dbraw/zinc/14/34/46/341143446.db2.gz AOSPIRAQQGSRBC-CVEARBPZSA-N 0 3 300.406 2.102 20 30 DEEDHN CC#CCNC(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000136016020 341250530 /nfs/dbraw/zinc/25/05/30/341250530.db2.gz HUBNSHYHUWWTLI-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccsc2)cc1 ZINC000549192633 341288513 /nfs/dbraw/zinc/28/85/13/341288513.db2.gz XIHUEXJTZPMFNC-OAHLLOKOSA-N 0 3 302.399 2.344 20 30 DEEDHN CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H](C)C(C)C ZINC000246198892 341333249 /nfs/dbraw/zinc/33/32/49/341333249.db2.gz XPKOAJWLPLEBPH-IAGOWNOFSA-N 0 3 322.497 2.045 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001356979112 1152197818 /nfs/dbraw/zinc/19/78/18/1152197818.db2.gz BAUJRVAGWDRLDE-BFYDXBDKSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001357011365 1152211927 /nfs/dbraw/zinc/21/19/27/1152211927.db2.gz JUBXWTCUUBIFCB-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccoc1)NCc1ccc(C#N)s1 ZINC001376719915 1159722273 /nfs/dbraw/zinc/72/22/73/1159722273.db2.gz ZHXWZESDHYTTOU-LLVKDONJSA-N 0 3 303.387 2.050 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC001357249037 1152276581 /nfs/dbraw/zinc/27/65/81/1152276581.db2.gz BFRJOIQMBPBDAN-QWHCGFSZSA-N 0 3 306.410 2.444 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)cn2CC)[C@H]1C ZINC001089043672 782133481 /nfs/dbraw/zinc/13/34/81/782133481.db2.gz PVGJZPHVJCHWLH-OCCSQVGLSA-N 0 3 307.825 2.377 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H](C)n1cccn1)C1CC1 ZINC001378411796 1152320498 /nfs/dbraw/zinc/32/04/98/1152320498.db2.gz JWILLOHVDFVTLT-CJNGLKHVSA-N 0 3 324.856 2.461 20 30 DEEDHN CC(C)C(=O)NC[C@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001378010485 1160914926 /nfs/dbraw/zinc/91/49/26/1160914926.db2.gz VXQNLZPIMWVJGD-AWEZNQCLSA-N 0 3 303.406 2.181 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)[C@H]1C ZINC001089061435 782143452 /nfs/dbraw/zinc/14/34/52/782143452.db2.gz SGDSDPQWOCAIMN-RMNLLRHXSA-N 0 3 314.351 2.321 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)[C@H]1C ZINC001089062881 782144301 /nfs/dbraw/zinc/14/43/01/782144301.db2.gz YVLNXXXSVFILPW-DAYGRLMNSA-N 0 3 314.429 2.401 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCc2csc(C)n2)C1 ZINC001330056587 1149042935 /nfs/dbraw/zinc/04/29/35/1149042935.db2.gz ZRVCWZNXQGWKPP-LBPRGKRZSA-N 0 3 307.463 2.397 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC001330074875 1149046313 /nfs/dbraw/zinc/04/63/13/1149046313.db2.gz QQZFWXBUDRMOEK-GFCCVEGCSA-N 0 3 324.371 2.218 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001358552575 1152409008 /nfs/dbraw/zinc/40/90/08/1152409008.db2.gz LMZVFEGHNKBMPG-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccncc1 ZINC001378724855 1152425142 /nfs/dbraw/zinc/42/51/42/1152425142.db2.gz DYAHWAKIEHZKCB-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN COC(=O)Cc1occc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000330919188 533782446 /nfs/dbraw/zinc/78/24/46/533782446.db2.gz YFLQVDWJJFCWQY-CQSZACIVSA-N 0 3 322.405 2.420 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc(Br)cc1C#N ZINC000297519317 533896364 /nfs/dbraw/zinc/89/63/64/533896364.db2.gz OJEYCLZCVYTPDL-GWCFXTLKSA-N 0 3 323.238 2.492 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)CCCF ZINC001378808282 1152452502 /nfs/dbraw/zinc/45/25/02/1152452502.db2.gz VZWMXDSGVCDDCK-LBPRGKRZSA-N 0 3 309.360 2.384 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCO[C@H]1CC)C(C)C ZINC001401341076 1161938594 /nfs/dbraw/zinc/93/85/94/1161938594.db2.gz WTXOZRBJEXMPRF-MCIONIFRSA-N 0 3 302.846 2.284 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)c3ccccc3F)[C@@H]2C1 ZINC001330345866 1149096346 /nfs/dbraw/zinc/09/63/46/1149096346.db2.gz IPMKPSWMZDRYER-DZUCGIPZSA-N 0 3 314.404 2.247 20 30 DEEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000330493416 534165878 /nfs/dbraw/zinc/16/58/78/534165878.db2.gz QYJMCBYSWWQGAQ-UHFFFAOYSA-N 0 3 301.390 2.316 20 30 DEEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000442831678 534213230 /nfs/dbraw/zinc/21/32/30/534213230.db2.gz WQLXQWRIKDJJBN-LBPRGKRZSA-N 0 3 302.374 2.340 20 30 DEEDHN CCCN1CCC(NS(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000156219666 519846912 /nfs/dbraw/zinc/84/69/12/519846912.db2.gz SEUDAMZTASJNLS-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1cccc(OCC)c1 ZINC000451677727 534572373 /nfs/dbraw/zinc/57/23/73/534572373.db2.gz VKEGOSKZLYNPGC-SJORKVTESA-N 0 3 318.417 2.025 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC(F)(F)F)C(C)C ZINC000451672599 534572713 /nfs/dbraw/zinc/57/27/13/534572713.db2.gz IJZZFOITXZFCMO-NEPJUHHUSA-N 0 3 308.344 2.109 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000450640715 534580231 /nfs/dbraw/zinc/58/02/31/534580231.db2.gz YDHHWPSOGNGBBU-RANZSIQMSA-N 0 3 314.429 2.214 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000452360711 534674308 /nfs/dbraw/zinc/67/43/08/534674308.db2.gz IYXRXXHIBRXRRU-AEFFLSMTSA-N 0 3 316.445 2.309 20 30 DEEDHN N#CCOc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000264545673 534694565 /nfs/dbraw/zinc/69/45/65/534694565.db2.gz JKFNDSLWEHGQIV-UHFFFAOYSA-N 0 3 313.401 2.176 20 30 DEEDHN N#CCOc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000266428505 534699826 /nfs/dbraw/zinc/69/98/26/534699826.db2.gz XHNBVWQATOYOHF-OAHLLOKOSA-N 0 3 312.373 2.067 20 30 DEEDHN CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1C[C@@H](C)O ZINC000249288319 523467555 /nfs/dbraw/zinc/46/75/55/523467555.db2.gz QEHZPNQWQGFWIS-IIDMSEBBSA-N 0 3 301.434 2.396 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCCO[C@H](CF)C1 ZINC000413866841 534740425 /nfs/dbraw/zinc/74/04/25/534740425.db2.gz GHQHKGULYGGJLS-JKSUJKDBSA-N 0 3 304.365 2.346 20 30 DEEDHN C[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000249022930 524506018 /nfs/dbraw/zinc/50/60/18/524506018.db2.gz LATPZXFAMDTEQK-UKRRQHHQSA-N 0 3 306.431 2.125 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1 ZINC000450560019 534881802 /nfs/dbraw/zinc/88/18/02/534881802.db2.gz YERORWXDSADQBC-RHSMWYFYSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000447957428 526429872 /nfs/dbraw/zinc/42/98/72/526429872.db2.gz ZVTMLDOGMSMDAR-OAHLLOKOSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(CC)CCOCC2)CC1 ZINC000341109473 526432427 /nfs/dbraw/zinc/43/24/27/526432427.db2.gz SXLTWFVCIHQRTQ-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC(C)C)cn2)CC1 ZINC000345871015 526447841 /nfs/dbraw/zinc/44/78/41/526447841.db2.gz BTBJKLPQSXKCNT-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CC[C@H](N2CCC(CCCn3ccnc3)CC2)C1=O ZINC000337186210 526505273 /nfs/dbraw/zinc/50/52/73/526505273.db2.gz DBVTWKDUHVHLQT-KRWDZBQOSA-N 0 3 316.449 2.162 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)nc2OC)CC1 ZINC000330715491 526601071 /nfs/dbraw/zinc/60/10/71/526601071.db2.gz TVZHBORHGUTEMX-UHFFFAOYSA-N 0 3 303.406 2.169 20 30 DEEDHN C=C(C)CN[C@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442788874 526626808 /nfs/dbraw/zinc/62/68/08/526626808.db2.gz JIBJXJMXVOXIKS-KBPBESRZSA-N 0 3 310.438 2.119 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000294908531 526738428 /nfs/dbraw/zinc/73/84/28/526738428.db2.gz JUNCZGLDWQZMIH-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000338958920 526771662 /nfs/dbraw/zinc/77/16/62/526771662.db2.gz WAUUBWJQHFPKBQ-UHFFFAOYSA-N 0 3 306.406 2.293 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000340596632 526843101 /nfs/dbraw/zinc/84/31/01/526843101.db2.gz SOPYNNQHCOVZNX-HZPDHXFCSA-N 0 3 320.458 2.369 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000340596630 526844321 /nfs/dbraw/zinc/84/43/21/526844321.db2.gz SOPYNNQHCOVZNX-HOTGVXAUSA-N 0 3 320.458 2.369 20 30 DEEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1OC ZINC000346336799 526873065 /nfs/dbraw/zinc/87/30/65/526873065.db2.gz PPDYQHPIQRRHFM-JYJNAYRXSA-N 0 3 303.402 2.463 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000418162963 526878440 /nfs/dbraw/zinc/87/84/40/526878440.db2.gz GYDWEMSPUWZGHF-UONOGXRCSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1cccc(CN2CCNC[C@@H]2c2nccn2C)c1 ZINC000262131698 526900396 /nfs/dbraw/zinc/90/03/96/526900396.db2.gz YEXHOWHBTVBUNB-QGZVFWFLSA-N 0 3 312.417 2.131 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000299522835 526931439 /nfs/dbraw/zinc/93/14/39/526931439.db2.gz AMCMJRYYCRKOIW-KRWDZBQOSA-N 0 3 312.413 2.362 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000342090270 526956940 /nfs/dbraw/zinc/95/69/40/526956940.db2.gz IBDMSOIFZIQBMZ-GJZGRUSLSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000341422150 526967151 /nfs/dbraw/zinc/96/71/51/526967151.db2.gz SAIKVAAZUXTAGD-LSDHHAIUSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCNC(=O)CCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000292983094 526978914 /nfs/dbraw/zinc/97/89/14/526978914.db2.gz FKGGPLUNOOHDOT-MRXNPFEDSA-N 0 3 302.443 2.224 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000294532416 527079536 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/nfs/dbraw/zinc/41/41/71/634414171.db2.gz QTCURRSUINAOIX-OSYLJGHBSA-N 0 3 311.429 2.054 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC000972248235 624903417 /nfs/dbraw/zinc/90/34/17/624903417.db2.gz XTLDNEKGLNFUNM-AEFFLSMTSA-N 0 3 318.465 2.098 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC000133353513 624931183 /nfs/dbraw/zinc/93/11/83/624931183.db2.gz IKHVVZJRDKYATB-MRXNPFEDSA-N 0 3 314.385 2.179 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001022849097 625025763 /nfs/dbraw/zinc/02/57/63/625025763.db2.gz DIIDCXFHNUKXAK-AOOOYVTPSA-N 0 3 318.204 2.168 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001024753593 625036365 /nfs/dbraw/zinc/03/63/65/625036365.db2.gz AZPXRQJCBTXMOI-AWEZNQCLSA-N 0 3 316.449 2.315 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001024791140 625058433 /nfs/dbraw/zinc/05/84/33/625058433.db2.gz VMGVODPTUODCQH-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001024828952 625071428 /nfs/dbraw/zinc/07/14/28/625071428.db2.gz QPGXBOJNZHUXDR-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000972424214 625071355 /nfs/dbraw/zinc/07/13/55/625071355.db2.gz LIDCAWFBYLBEPB-IRXDYDNUSA-N 0 3 309.413 2.391 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2OCC)C1 ZINC001022917243 625096482 /nfs/dbraw/zinc/09/64/82/625096482.db2.gz STXQASVUKWLVPH-BETUJISGSA-N 0 3 323.824 2.392 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001022932998 625107264 /nfs/dbraw/zinc/10/72/64/625107264.db2.gz NWYWQBBKPQOPIP-KBXIAJHMSA-N 0 3 314.857 2.427 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCS(=O)(=O)C1CC1 ZINC000840882618 625168281 /nfs/dbraw/zinc/16/82/81/625168281.db2.gz JCQVCQHCIROEJW-KRWDZBQOSA-N 0 3 318.442 2.493 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001025069066 625192521 /nfs/dbraw/zinc/19/25/21/625192521.db2.gz AJHYYOIUBROVPW-QAPCUYQASA-N 0 3 318.465 2.493 20 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305.447 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001023416427 625259107 /nfs/dbraw/zinc/25/91/07/625259107.db2.gz AINJYUMMKZRROA-ZDUSSCGKSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001023434732 625267000 /nfs/dbraw/zinc/26/70/00/625267000.db2.gz OWCZBDDAMXLHLT-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccsc2COC)C1 ZINC001023444792 625270685 /nfs/dbraw/zinc/27/06/85/625270685.db2.gz WCKXPBJPGHYKJQ-CQSZACIVSA-N 0 3 320.458 2.360 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001027695109 634449832 /nfs/dbraw/zinc/44/98/32/634449832.db2.gz DZDHXXNFLHGKNQ-NVXWUHKLSA-N 0 3 314.429 2.355 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(Cl)cnn1C ZINC001024439895 625775950 /nfs/dbraw/zinc/77/59/50/625775950.db2.gz HMXIGACKSJNUFP-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001024462443 625789443 /nfs/dbraw/zinc/78/94/43/625789443.db2.gz 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DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccc(C)nc3)CC2)CC1 ZINC001000086474 634736102 /nfs/dbraw/zinc/73/61/02/634736102.db2.gz ZXPKLQQAMYWBGU-UHFFFAOYSA-N 0 3 311.429 2.388 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cccc4c3OCC4)CC2)CC1 ZINC001000260759 634828879 /nfs/dbraw/zinc/82/88/79/634828879.db2.gz ZBKBQPDORMPYAY-UHFFFAOYSA-N 0 3 324.424 2.229 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1(c2ccccc2C)CC1 ZINC000836271935 650073754 /nfs/dbraw/zinc/07/37/54/650073754.db2.gz PBPSAELBRQFVLG-UHFFFAOYSA-N 0 3 313.445 2.281 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCOC2(C1)CCCCCC2 ZINC000836488909 650097501 /nfs/dbraw/zinc/09/75/01/650097501.db2.gz QYKWFQHKIYSUSH-UHFFFAOYSA-N 0 3 321.465 2.076 20 30 DEEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1scnc1COC ZINC001024697281 632930084 /nfs/dbraw/zinc/93/00/84/632930084.db2.gz UQLAXSRAQYOZEJ-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C(C)(C)C1 ZINC000974585678 633166530 /nfs/dbraw/zinc/16/65/30/633166530.db2.gz UVXOUCJBTJLGPJ-HNNXBMFYSA-N 0 3 316.449 2.072 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C=CC[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccncc1 ZINC000734670258 633416845 /nfs/dbraw/zinc/41/68/45/633416845.db2.gz AUQZBGNTYNMSNT-GOEBONIOSA-N 0 3 300.406 2.235 20 30 DEEDHN C=CC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccncc1 ZINC000734670260 633417314 /nfs/dbraw/zinc/41/73/14/633417314.db2.gz AUQZBGNTYNMSNT-ZBFHGGJFSA-N 0 3 300.406 2.235 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(CC)nc2C)C(C)(C)C1 ZINC000975095033 633424841 /nfs/dbraw/zinc/42/48/41/633424841.db2.gz PZLUAPIAQQZLPL-HNNXBMFYSA-N 0 3 304.438 2.228 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CC[C@@H](C)F)C1 ZINC001015969523 633480264 /nfs/dbraw/zinc/48/02/64/633480264.db2.gz VQPYPWHDAFOXGZ-ZIAGYGMSSA-N 0 3 321.396 2.199 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ncoc2CC)CC1 ZINC000996987162 633551664 /nfs/dbraw/zinc/55/16/64/633551664.db2.gz ZADHVOWUMYLGHO-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCOCC2)CC1 ZINC000997045247 633564101 /nfs/dbraw/zinc/56/41/01/633564101.db2.gz 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/nfs/dbraw/zinc/68/38/02/633683802.db2.gz WXCUBCDBEWERBE-CQSZACIVSA-N 0 3 302.422 2.370 20 30 DEEDHN C=C(C)CN1CCC([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000997374571 633749914 /nfs/dbraw/zinc/74/99/14/633749914.db2.gz CIYQWKFVTJADRB-CQSZACIVSA-N 0 3 317.433 2.090 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COc2cc(C)ccc2F)C1 ZINC001027411935 633750556 /nfs/dbraw/zinc/75/05/56/633750556.db2.gz VACDZRAGSSECMS-HNNXBMFYSA-N 0 3 318.392 2.069 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001009627772 633761078 /nfs/dbraw/zinc/76/10/78/633761078.db2.gz MMKAZHROTZPXDM-DLBZAZTESA-N 0 3 301.434 2.270 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnoc2-c2ccco2)C1 ZINC001027469380 633841724 /nfs/dbraw/zinc/84/17/24/633841724.db2.gz YPCCLIJNBUZKKW-CYBMUJFWSA-N 0 3 313.357 2.104 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001027472867 633855993 /nfs/dbraw/zinc/85/59/93/633855993.db2.gz ZOHWEWWCKUFZDC-GDBMZVCRSA-N 0 3 316.449 2.332 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(CC)ccn2)CC1 ZINC000997601085 633895249 /nfs/dbraw/zinc/89/52/49/633895249.db2.gz NFBWQRKMEQIOTA-HNNXBMFYSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccnn2C(F)F)CC1 ZINC000997606231 633897702 /nfs/dbraw/zinc/89/77/02/633897702.db2.gz YIWZRULYHVTTKA-LBPRGKRZSA-N 0 3 324.375 2.132 20 30 DEEDHN CCc1nc(C)c(CNCC2CCN(C(=O)[C@H](C)C#N)CC2)o1 ZINC000997624343 633902752 /nfs/dbraw/zinc/90/27/52/633902752.db2.gz NUZOPLDBTVMLMK-GFCCVEGCSA-N 0 3 318.421 2.033 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000997649063 633911340 /nfs/dbraw/zinc/91/13/40/633911340.db2.gz OPVBNLXMCDQISF-AWEZNQCLSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccn3ccnc23)C(C)(C)C1 ZINC000977317098 633913702 /nfs/dbraw/zinc/91/37/02/633913702.db2.gz NYVRVTJSLRZSRE-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cncc(OC(C)C)c2)C1 ZINC001027519594 633973925 /nfs/dbraw/zinc/97/39/25/633973925.db2.gz QVRQIJFNCPLOMQ-MRXNPFEDSA-N 0 3 315.417 2.038 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccn3ccnc23)CC1 ZINC000997792608 633980256 /nfs/dbraw/zinc/98/02/56/633980256.db2.gz YPJFBFKGGNHXEN-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3c(c2)COC3)CC1 ZINC000997794693 633980967 /nfs/dbraw/zinc/98/09/67/633980967.db2.gz VVTQZSHJOSYUOG-AWEZNQCLSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(C(C)C)nc2C)C(C)(C)C1 ZINC000977453960 633993223 /nfs/dbraw/zinc/99/32/23/633993223.db2.gz BMQMLXRHGLVJBM-INIZCTEOSA-N 0 3 316.449 2.236 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC[C@H](C)F)CC2(C)C)nc1 ZINC000977519361 634015105 /nfs/dbraw/zinc/01/51/05/634015105.db2.gz YGUHDYAUKOBNNK-BBRMVZONSA-N 0 3 317.408 2.251 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cn(C)nc2C(C)C)CC1 ZINC000997861798 634015353 /nfs/dbraw/zinc/01/53/53/634015353.db2.gz UWGHDKWGXQVYPR-AWEZNQCLSA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2csc(C3CC3)n2)CC1 ZINC000997881053 634019430 /nfs/dbraw/zinc/01/94/30/634019430.db2.gz AELDVIPUWBHGMY-LBPRGKRZSA-N 0 3 317.458 2.484 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2OC(C)C)[C@H](C)C1 ZINC000946418634 634047865 /nfs/dbraw/zinc/04/78/65/634047865.db2.gz FZOXHCIVXNJDJN-ZBFHGGJFSA-N 0 3 317.433 2.495 20 30 DEEDHN CC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2CC1 ZINC000946419850 634049641 /nfs/dbraw/zinc/04/96/41/634049641.db2.gz XVESVSSKZMEVTH-IYBDPMFKSA-N 0 3 315.392 2.388 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC001027547883 634077326 /nfs/dbraw/zinc/07/73/26/634077326.db2.gz CJHYKPPHJIMTQE-LLVKDONJSA-N 0 3 310.319 2.274 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 ZINC001027548193 634080427 /nfs/dbraw/zinc/08/04/27/634080427.db2.gz GTACSSDPLUFUMH-HNNXBMFYSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CC2CCC(OC)CC2)C(C)(C)C1 ZINC000977659371 634084980 /nfs/dbraw/zinc/08/49/80/634084980.db2.gz AHBHAKRBZDDVIV-JCYILVPMSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC001027549764 634096844 /nfs/dbraw/zinc/09/68/44/634096844.db2.gz LXNXUJCLDLMDKE-NSHDSACASA-N 0 3 310.319 2.274 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)sn2)CC1 ZINC000997993858 634100496 /nfs/dbraw/zinc/10/04/96/634100496.db2.gz UVTLAFVHPMZQJL-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)C4CCC4)[C@@H]3C2)cc1 ZINC000977713375 634107001 /nfs/dbraw/zinc/10/70/01/634107001.db2.gz JLZWUOZKTPRZIM-NNZMDNLPSA-N 0 3 309.413 2.152 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ncccc2OCCC)C1 ZINC001027556507 634119172 /nfs/dbraw/zinc/11/91/72/634119172.db2.gz FAECDZLYDFJPEH-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccn(C)c2C)CC1 ZINC000998117529 634145713 /nfs/dbraw/zinc/14/57/13/634145713.db2.gz RYPAEGODCJGXDV-MRXNPFEDSA-N 0 3 301.434 2.283 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnn(CCC)c2)CC1 ZINC000998140250 634153167 /nfs/dbraw/zinc/15/31/67/634153167.db2.gz JGROMNJPNSQDCF-KRWDZBQOSA-N 0 3 316.449 2.243 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccnc(C)n2)CC1 ZINC000998192543 634165440 /nfs/dbraw/zinc/16/54/40/634165440.db2.gz VVSNSYIIIORSSL-MRXNPFEDSA-N 0 3 314.433 2.125 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC001027636340 634357625 /nfs/dbraw/zinc/35/76/25/634357625.db2.gz ATCZACXVSXHSKX-OAHLLOKOSA-N 0 3 314.404 2.413 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3ccncc3c2)C1 ZINC001027640643 634368239 /nfs/dbraw/zinc/36/82/39/634368239.db2.gz YUOFEFRFKGIWKS-GOSISDBHSA-N 0 3 307.397 2.404 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H]2OCc3ccccc32)C1 ZINC000980287026 634931033 /nfs/dbraw/zinc/93/10/33/634931033.db2.gz UKZXAWTWKKLAJZ-NVXWUHKLSA-N 0 3 300.402 2.367 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccc(CC)cc2)C1 ZINC000980313608 634950649 /nfs/dbraw/zinc/95/06/49/634950649.db2.gz SZFLYSWYEXGBIM-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001027917796 634963353 /nfs/dbraw/zinc/96/33/53/634963353.db2.gz JMOISNHVFKPCNB-AWEZNQCLSA-N 0 3 316.401 2.228 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc(OC)c(Cl)c2)C1 ZINC000980463356 635008614 /nfs/dbraw/zinc/00/86/14/635008614.db2.gz XKJHCUJIKCQHOQ-LBPRGKRZSA-N 0 3 309.797 2.076 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC000980521021 635034259 /nfs/dbraw/zinc/03/42/59/635034259.db2.gz JUJCLXQJVMCGSW-CQSZACIVSA-N 0 3 319.380 2.116 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC000980524322 635034913 /nfs/dbraw/zinc/03/49/13/635034913.db2.gz QFFGOEFXQJLTBS-HZPDHXFCSA-N 0 3 306.381 2.232 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(c3ccccc3OC)CC2)C1 ZINC000980551350 635040910 /nfs/dbraw/zinc/04/09/10/635040910.db2.gz ZIVAOECFGMIXKB-OAHLLOKOSA-N 0 3 314.429 2.446 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001027966446 635104969 /nfs/dbraw/zinc/10/49/69/635104969.db2.gz IBRDUMWSZLACBS-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2=CCN(Cc3ccccc3)CC2)[nH]1 ZINC001000595945 635244433 /nfs/dbraw/zinc/24/44/33/635244433.db2.gz NJNDMIHZWNRGSG-UHFFFAOYSA-N 0 3 320.396 2.448 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ncnc3sccc32)CC1 ZINC001000695089 635269347 /nfs/dbraw/zinc/26/93/47/635269347.db2.gz GHHWMQPKFFNKLC-UHFFFAOYSA-N 0 3 314.414 2.239 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C)noc2CCC)CC1 ZINC001000673556 635271980 /nfs/dbraw/zinc/27/19/80/635271980.db2.gz GMMAHLCFZLYFRC-UHFFFAOYSA-N 0 3 303.406 2.483 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn3cc(C)ccc3n2)CC1 ZINC001000837319 635318927 /nfs/dbraw/zinc/31/89/27/635318927.db2.gz BPKFTFYGROQIGH-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC001000928220 635355088 /nfs/dbraw/zinc/35/50/88/635355088.db2.gz VATAFZKWJYQMSA-QGZVFWFLSA-N 0 3 312.413 2.172 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)CC1 ZINC001000970468 635362352 /nfs/dbraw/zinc/36/23/52/635362352.db2.gz OXAVUYLUAACXDG-CXAGYDPISA-N 0 3 314.433 2.010 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ocnc2C(F)(F)F)CC1 ZINC001001002237 635376517 /nfs/dbraw/zinc/37/65/17/635376517.db2.gz RAJMXTFUOUXQRX-UHFFFAOYSA-N 0 3 315.295 2.241 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C)ccnc2OCC)CC1 ZINC001000996305 635384708 /nfs/dbraw/zinc/38/47/08/635384708.db2.gz XDROLCZYPHSLGS-UHFFFAOYSA-N 0 3 315.417 2.337 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(-c3ccco3)on2)CC1 ZINC001001021269 635388658 /nfs/dbraw/zinc/38/86/58/635388658.db2.gz MDGWCAJSJXTFQM-UHFFFAOYSA-N 0 3 313.357 2.483 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cc(C)c(Cl)cn2)CC1 ZINC000981435427 635478596 /nfs/dbraw/zinc/47/85/96/635478596.db2.gz ILQCJYXILFGJAE-UHFFFAOYSA-N 0 3 319.836 2.144 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001001518857 635520257 /nfs/dbraw/zinc/52/02/57/635520257.db2.gz ULCNWKHEWHVGRM-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001001786587 635552722 /nfs/dbraw/zinc/55/27/22/635552722.db2.gz SAONDXGLDVITFP-SJORKVTESA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCc2cccc(OC)c2)CC1 ZINC000981606162 635552754 /nfs/dbraw/zinc/55/27/54/635552754.db2.gz ZCSLWSHCRFQOOW-UHFFFAOYSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c(F)ccc(F)c2F)CC1 ZINC001001786654 635552994 /nfs/dbraw/zinc/55/29/94/635552994.db2.gz SLIMCEKIQPIVKX-UHFFFAOYSA-N 0 3 310.319 2.179 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(F)c(OC)c2)CC1 ZINC001001873592 635566139 /nfs/dbraw/zinc/56/61/39/635566139.db2.gz HTBPZLCDYCKMKX-UHFFFAOYSA-N 0 3 318.392 2.299 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001001919285 635577276 /nfs/dbraw/zinc/57/72/76/635577276.db2.gz YLZAUCGHSVASNT-ZDUSSCGKSA-N 0 3 303.406 2.263 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107409240 635599787 /nfs/dbraw/zinc/59/97/87/635599787.db2.gz BVTUPJNGWVTZAX-BFHYXJOUSA-N 0 3 302.761 2.431 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000981828741 635673796 /nfs/dbraw/zinc/67/37/96/635673796.db2.gz ZLIBEQKFJSTJMD-KRWDZBQOSA-N 0 3 300.377 2.023 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C(F)F)ncn3)C2)C1 ZINC000981842749 635687858 /nfs/dbraw/zinc/68/78/58/635687858.db2.gz KPJAECYJFXMWRK-UHFFFAOYSA-N 0 3 322.359 2.138 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001028141805 635694419 /nfs/dbraw/zinc/69/44/19/635694419.db2.gz QXJWEMAAUAUEQR-AWEZNQCLSA-N 0 3 316.449 2.372 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1csc(C#N)c1 ZINC000921907457 635696861 /nfs/dbraw/zinc/69/68/61/635696861.db2.gz VEYHKUUPTHJPGG-UHFFFAOYSA-N 0 3 314.414 2.392 20 30 DEEDHN C#CCSCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000888956743 635707825 /nfs/dbraw/zinc/70/78/25/635707825.db2.gz YAABVDFOEUTFRC-UHFFFAOYSA-N 0 3 308.422 2.082 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1C=CC=CC=C1)CCO2 ZINC000949108610 635721996 /nfs/dbraw/zinc/72/19/96/635721996.db2.gz QQRGTJKWJOWQCQ-UHFFFAOYSA-N 0 3 314.429 2.164 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c(C)nn(C)c3Cl)C2)C1 ZINC000981920811 635730892 /nfs/dbraw/zinc/73/08/92/635730892.db2.gz WWLYBXVQRRRXJZ-UHFFFAOYSA-N 0 3 322.840 2.106 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001028167789 635763983 /nfs/dbraw/zinc/76/39/83/635763983.db2.gz AGWHWVBQZBJODA-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001028171212 635769112 /nfs/dbraw/zinc/76/91/12/635769112.db2.gz CUOKZMFKTVQXAU-INIZCTEOSA-N 0 3 322.412 2.294 20 30 DEEDHN Cc1cc(F)c(C#N)c(NCCN2CCN(C)C(C)(C)C2)c1 ZINC000893685011 635778330 /nfs/dbraw/zinc/77/83/30/635778330.db2.gz HVRRKZHBWVIARU-UHFFFAOYSA-N 0 3 304.413 2.444 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)Cc1ccccc1)CCO2 ZINC000949127380 635800339 /nfs/dbraw/zinc/80/03/39/635800339.db2.gz YOAWIZNEGUCQAJ-UHFFFAOYSA-N 0 3 314.429 2.109 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@@H]2CCCN2CC=C(C)C)nn1 ZINC001028192861 635800686 /nfs/dbraw/zinc/80/06/86/635800686.db2.gz RUNXGQOYTBIDAK-HNNXBMFYSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000982064698 635851325 /nfs/dbraw/zinc/85/13/25/635851325.db2.gz IRTOZSCALQGIHY-UHFFFAOYSA-N 0 3 300.406 2.078 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(Br)c[nH]1 ZINC000922089901 635857327 /nfs/dbraw/zinc/85/73/27/635857327.db2.gz JOPSPXKTWCCPTD-CABZTGNLSA-N 0 3 300.200 2.243 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c(C)nn(CC)c3C)C2)C1 ZINC000982070756 635859172 /nfs/dbraw/zinc/85/91/72/635859172.db2.gz YMSLPNABKIQLIW-UHFFFAOYSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(C)nc(C)n3)C2)C1 ZINC000982070573 635859310 /nfs/dbraw/zinc/85/93/10/635859310.db2.gz VACSQEOVIVKXSY-UHFFFAOYSA-N 0 3 314.433 2.208 20 30 DEEDHN C=C(Cl)CN1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001002956696 635860112 /nfs/dbraw/zinc/86/01/12/635860112.db2.gz ZVEDIFBWUBYRPL-OAHLLOKOSA-N 0 3 313.873 2.194 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCO[C@@H](CC)C3)C2)C1 ZINC000982106016 635870763 /nfs/dbraw/zinc/87/07/63/635870763.db2.gz KUKXXPBAKUDGJD-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN1CCCC2(CN(C(=O)c3c(C)n[nH]c3C(C)C)C2)C1 ZINC000982108810 635872419 /nfs/dbraw/zinc/87/24/19/635872419.db2.gz NAPAIIWIHZFNRV-UHFFFAOYSA-N 0 3 314.433 2.013 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ncccc3OCC)C2)C1 ZINC000982176786 635896674 /nfs/dbraw/zinc/89/66/74/635896674.db2.gz QHQJIIIZCFLLKI-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn(CCC)nc1C ZINC001028225108 635921532 /nfs/dbraw/zinc/92/15/32/635921532.db2.gz SUINLVAFPVPWJF-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001028239550 635944829 /nfs/dbraw/zinc/94/48/29/635944829.db2.gz PNYZWOGYKKQAAT-KRWDZBQOSA-N 0 3 310.401 2.253 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3[nH]c(C)cc3C)C[C@]2(C)C1 ZINC000982308433 635961538 /nfs/dbraw/zinc/96/15/38/635961538.db2.gz YZAHCQLEJMYFBL-KDURUIRLSA-N 0 3 313.445 2.439 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@]2(C)C1 ZINC000982362695 635995022 /nfs/dbraw/zinc/99/50/22/635995022.db2.gz LYJFXRDZGOBSPX-RGCFKVTRSA-N 0 3 302.462 2.472 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1OC ZINC001028283184 636020078 /nfs/dbraw/zinc/02/00/78/636020078.db2.gz YDKKTUKCXPAPEB-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(-c3cn[nH]c3)cc2)CC1 ZINC001003783198 636053551 /nfs/dbraw/zinc/05/35/51/636053551.db2.gz ZCEKIHDGQZBEKC-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001028289442 636073677 /nfs/dbraw/zinc/07/36/77/636073677.db2.gz WTYMQIZCRYPMQR-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC001028294524 636113739 /nfs/dbraw/zinc/11/37/39/636113739.db2.gz DZHBKANKSLHKMQ-CQSZACIVSA-N 0 3 300.406 2.124 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001028337923 636137390 /nfs/dbraw/zinc/13/73/90/636137390.db2.gz UNZBJFGOBKAOCN-LRVUVFPRSA-N 0 3 314.351 2.323 20 30 DEEDHN Cn1cccc1C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028414723 636183200 /nfs/dbraw/zinc/18/32/00/636183200.db2.gz VIPDPZPSAUDLKB-KRWDZBQOSA-N 0 3 322.412 2.149 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028472159 636232570 /nfs/dbraw/zinc/23/25/70/636232570.db2.gz OGNWRORRYDYCKM-QGZVFWFLSA-N 0 3 322.412 2.447 20 30 DEEDHN CCN1CCC[C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1=O ZINC000922640207 636295865 /nfs/dbraw/zinc/29/58/65/636295865.db2.gz QXBUXYRGDJLEGA-XJKSGUPXSA-N 0 3 301.390 2.078 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC34CCC4)C[C@]2(C)C1 ZINC000982605282 636303058 /nfs/dbraw/zinc/30/30/58/636303058.db2.gz KBWNQAKEHCNFIS-NXHRZFHOSA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cn(CC)nc3C)C[C@]2(C)C1 ZINC000982605854 636303459 /nfs/dbraw/zinc/30/34/59/636303459.db2.gz RFLKLZRMFPOZLE-HDICACEKSA-N 0 3 316.449 2.181 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(Cl)no3)C[C@]2(C)C1 ZINC000982753572 636387221 /nfs/dbraw/zinc/38/72/21/636387221.db2.gz VUMHPDSTYYFYJN-GASCZTMLSA-N 0 3 309.797 2.298 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)C(F)(F)F)C[C@]2(C)C1 ZINC000982753681 636387771 /nfs/dbraw/zinc/38/77/71/636387771.db2.gz XGOITCLKNWFBED-GASCZTMLSA-N 0 3 316.367 2.379 20 30 DEEDHN C=C(CC)CNC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000922780096 636393371 /nfs/dbraw/zinc/39/33/71/636393371.db2.gz GIEZZCHZXVONBN-OAHLLOKOSA-N 0 3 309.454 2.237 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(F)ccc2CC)C1 ZINC001028657779 636563953 /nfs/dbraw/zinc/56/39/53/636563953.db2.gz IVQWRDZQJQDETK-CQSZACIVSA-N 0 3 302.393 2.463 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001028677804 636615417 /nfs/dbraw/zinc/61/54/17/636615417.db2.gz ZTPQXYWDCXOPOS-OAHLLOKOSA-N 0 3 309.413 2.346 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001028701297 636646979 /nfs/dbraw/zinc/64/69/79/636646979.db2.gz VVZLQTMWBDATTA-IMFGXOCKSA-N 0 3 310.441 2.426 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001028719246 636663593 /nfs/dbraw/zinc/66/35/93/636663593.db2.gz SYTFKRUTZWBFII-SECBINFHSA-N 0 3 300.189 2.006 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001028810598 636752048 /nfs/dbraw/zinc/75/20/48/636752048.db2.gz ICGKOSDAJPGOHH-HNNXBMFYSA-N 0 3 311.429 2.342 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001028871836 636802043 /nfs/dbraw/zinc/80/20/43/636802043.db2.gz WSQUKFXXNFGEOM-ZDUSSCGKSA-N 0 3 311.360 2.059 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)c2cccnc2)CC1 ZINC001005639009 636803534 /nfs/dbraw/zinc/80/35/34/636803534.db2.gz NBGPCTPXLHNYSX-UHFFFAOYSA-N 0 3 301.434 2.468 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2nncc3ccccc32)CC1 ZINC001005696549 636822945 /nfs/dbraw/zinc/82/29/45/636822945.db2.gz YADSLCIPVITPEM-UHFFFAOYSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001028919912 636852176 /nfs/dbraw/zinc/85/21/76/636852176.db2.gz KFENTDNQHNIIIC-AWEZNQCLSA-N 0 3 314.433 2.142 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2sc(CCC)nc2C)C1 ZINC001028980910 636925446 /nfs/dbraw/zinc/92/54/46/636925446.db2.gz AZLBDYGKRKVXFD-CYBMUJFWSA-N 0 3 305.447 2.089 20 30 DEEDHN C#CCN(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)C1CCN(C)CC1 ZINC000923034559 636926076 /nfs/dbraw/zinc/92/60/76/636926076.db2.gz DTBDCRPRIXVHHK-FZNQNYSPSA-N 0 3 321.465 2.072 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)nc(OC)c2)CC1 ZINC001005892862 636941582 /nfs/dbraw/zinc/94/15/82/636941582.db2.gz UWBUFBPRYMBJKR-UHFFFAOYSA-N 0 3 303.406 2.121 20 30 DEEDHN Cc1nc(CN[C@H](C)C2CCN(C(=O)[C@H](C)C#N)CC2)cs1 ZINC001029067282 637028314 /nfs/dbraw/zinc/02/83/14/637028314.db2.gz JPYSMJHTBZKPMB-VXGBXAGGSA-N 0 3 320.462 2.328 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC001005984321 637031937 /nfs/dbraw/zinc/03/19/37/637031937.db2.gz SSHHYGZHRGYJGO-UHFFFAOYSA-N 0 3 319.453 2.146 20 30 DEEDHN C#C[C@H](CCC)NC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000923225248 637042338 /nfs/dbraw/zinc/04/23/38/637042338.db2.gz RNSXJFCJILAKTB-CVEARBPZSA-N 0 3 321.465 2.073 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC([C@H](C)NCc2ccccc2C#N)CC1 ZINC001029070031 637044052 /nfs/dbraw/zinc/04/40/52/637044052.db2.gz XDARHGAGZMUWOQ-CABCVRRESA-N 0 3 324.428 2.435 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn(CCC)c2)CC1 ZINC001006071128 637151654 /nfs/dbraw/zinc/15/16/54/637151654.db2.gz BVCKNNWSRGPOEH-UHFFFAOYSA-N 0 3 304.438 2.406 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000894735191 637184799 /nfs/dbraw/zinc/18/47/99/637184799.db2.gz BBJSRMXTDVEQFD-IRXDYDNUSA-N 0 3 319.376 2.422 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2scnc2COC)CC1 ZINC001006096759 637194501 /nfs/dbraw/zinc/19/45/01/637194501.db2.gz BYDGWLSODKDRBU-UHFFFAOYSA-N 0 3 323.462 2.402 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cc(CCC)[nH]c(=O)c2)CC1 ZINC001006096851 637194813 /nfs/dbraw/zinc/19/48/13/637194813.db2.gz DLVBAACGEIQDIU-UHFFFAOYSA-N 0 3 317.433 2.462 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)C[C@@H]1C ZINC000947796736 637483166 /nfs/dbraw/zinc/48/31/66/637483166.db2.gz RAIRYLJETRCYLO-KSSFIOAISA-N 0 3 312.413 2.323 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000838623281 637613959 /nfs/dbraw/zinc/61/39/59/637613959.db2.gz YTGAEWZBXJWPOR-UHFFFAOYSA-N 0 3 322.478 2.249 20 30 DEEDHN C=CCONC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000838702861 637633256 /nfs/dbraw/zinc/63/32/56/637633256.db2.gz XYFUWHCCBCKGEI-UHFFFAOYSA-N 0 3 303.406 2.330 20 30 DEEDHN C#CCN(C)CCCNC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000840759556 650355850 /nfs/dbraw/zinc/35/58/50/650355850.db2.gz YLRLCMUVELNPIO-UHFFFAOYSA-N 0 3 319.518 2.374 20 30 DEEDHN CC1(C)[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C[C@H]1Oc1ccccc1 ZINC000895196434 637781282 /nfs/dbraw/zinc/78/12/82/637781282.db2.gz KVROOFLICCNMKX-RRFJBIMHSA-N 0 3 304.390 2.202 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)cc1 ZINC000740529836 637866006 /nfs/dbraw/zinc/86/60/06/637866006.db2.gz XCKXCWVUXGIPHE-GWCFXTLKSA-N 0 3 306.749 2.414 20 30 DEEDHN C#CC1(O)CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000895380975 637983888 /nfs/dbraw/zinc/98/38/88/637983888.db2.gz UXWWAABVNWQMRR-UHFFFAOYSA-N 0 3 309.413 2.449 20 30 DEEDHN C=CCC1(O)CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000895833623 638225453 /nfs/dbraw/zinc/22/54/53/638225453.db2.gz AVCZBHPOOHPERB-UHFFFAOYSA-N 0 3 302.374 2.035 20 30 DEEDHN CCCCCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000895939375 638276792 /nfs/dbraw/zinc/27/67/92/638276792.db2.gz NOSDFYBUPZAEPY-JKSUJKDBSA-N 0 3 311.470 2.197 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccccc3c2C#N)CN1C1CC1 ZINC000896899453 639039683 /nfs/dbraw/zinc/03/96/83/639039683.db2.gz SBESKKZHGGWKLR-VXGBXAGGSA-N 0 3 308.385 2.395 20 30 DEEDHN C#CCSCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000897158294 639215870 /nfs/dbraw/zinc/21/58/70/639215870.db2.gz ZAPAOSCPACVICC-AWEZNQCLSA-N 0 3 317.458 2.090 20 30 DEEDHN N#Cc1csc(CN2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000897175988 639225642 /nfs/dbraw/zinc/22/56/42/639225642.db2.gz KYNNXRHHVMXOGB-CQSZACIVSA-N 0 3 306.431 2.373 20 30 DEEDHN Cc1cc(F)c(C#N)c(N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000897216266 639249282 /nfs/dbraw/zinc/24/92/82/639249282.db2.gz NOGITJBGOUGZRS-JKSUJKDBSA-N 0 3 303.381 2.041 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(N(C)Cc2ccc(Cl)nc2)CC1 ZINC000985339317 639292741 /nfs/dbraw/zinc/29/27/41/639292741.db2.gz RRKTUHJABKEYNV-LBPRGKRZSA-N 0 3 320.824 2.317 20 30 DEEDHN c1ccc2c(c1)CSCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753938542 639362906 /nfs/dbraw/zinc/36/29/06/639362906.db2.gz JRORBVNCKNXJCI-KBPBESRZSA-N 0 3 300.431 2.498 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CCCCCO)CC1 ZINC000755309149 639540881 /nfs/dbraw/zinc/54/08/81/639540881.db2.gz IBHMBRLLDVGWFU-INIZCTEOSA-N 0 3 301.434 2.399 20 30 DEEDHN C=C(C)[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)OCC ZINC000756519062 639668515 /nfs/dbraw/zinc/66/85/15/639668515.db2.gz BGVGLUKRSLTIFT-JSGCOSHPSA-N 0 3 301.346 2.100 20 30 DEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C(C)(F)F ZINC000985873381 639672744 /nfs/dbraw/zinc/67/27/44/639672744.db2.gz VILAYOBTKCBCFB-SKDRFNHKSA-N 0 3 313.373 2.354 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C(C)(F)F ZINC000985873368 639672907 /nfs/dbraw/zinc/67/29/07/639672907.db2.gz VILAYOBTKCBCFB-CABZTGNLSA-N 0 3 313.373 2.354 20 30 DEEDHN C=C(C)[C@H](CO)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000839639978 639788620 /nfs/dbraw/zinc/78/86/20/639788620.db2.gz KOZNXKDYFHAIEJ-UONOGXRCSA-N 0 3 314.223 2.351 20 30 DEEDHN COc1ccc(C(C)=NN(C)C[C@H](C)O)cc1CN1CCCC1 ZINC000841653369 650530394 /nfs/dbraw/zinc/53/03/94/650530394.db2.gz HRNRNKLAPIJKBW-AWEZNQCLSA-N 0 3 319.449 2.328 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000757774243 639879664 /nfs/dbraw/zinc/87/96/64/639879664.db2.gz QNNDQTWYAPWVEF-PKOBYXMFSA-N 0 3 323.440 2.318 20 30 DEEDHN Cc1ncc(CN(C)CC2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC001029946062 639920480 /nfs/dbraw/zinc/92/04/80/639920480.db2.gz FHXLBVFLAMALNC-GFCCVEGCSA-N 0 3 320.462 2.282 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000762368347 640420138 /nfs/dbraw/zinc/42/01/38/640420138.db2.gz ZAENGYAPXCDGKI-GOSISDBHSA-N 0 3 319.408 2.409 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2sc(C3CC3)nc2C)C1 ZINC000988831211 640671307 /nfs/dbraw/zinc/67/13/07/640671307.db2.gz WNQGIQAPHFONJC-MFKMUULPSA-N 0 3 303.431 2.155 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC000989033878 640707697 /nfs/dbraw/zinc/70/76/97/640707697.db2.gz BBKUVVRYNGMPPU-GJZGRUSLSA-N 0 3 307.397 2.369 20 30 DEEDHN N#Cc1cccc(OCC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000765192571 640749471 /nfs/dbraw/zinc/74/94/71/640749471.db2.gz JKXWWBPCZDJGTQ-INIZCTEOSA-N 0 3 313.401 2.070 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000765243999 640756467 /nfs/dbraw/zinc/75/64/67/640756467.db2.gz CLTIBLWBHPWEKN-HNAYVOBHSA-N 0 3 319.408 2.313 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC000989232458 640760909 /nfs/dbraw/zinc/76/09/09/640760909.db2.gz WUEOQCSGIXXPDF-CHWSQXEVSA-N 0 3 315.417 2.015 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2csc(-c3ccco3)n2)C1 ZINC000989363263 640817418 /nfs/dbraw/zinc/81/74/18/640817418.db2.gz AJZYRDVGHQLQBQ-NEPJUHHUSA-N 0 3 315.398 2.229 20 30 DEEDHN C[C@@]1(Br)C[C@H]1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599487 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CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc(C)c(C#N)c2)C1 ZINC000861351349 686056827 /nfs/dbraw/zinc/05/68/27/686056827.db2.gz IIYJQDNKAJOTOY-DOTOQJQBSA-N 0 3 302.374 2.133 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)cnc2F)CC1 ZINC000861590876 686152110 /nfs/dbraw/zinc/15/21/10/686152110.db2.gz ZGOLGJPJTUUQSQ-UHFFFAOYSA-N 0 3 308.357 2.001 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1cccc(OCC)c1 ZINC000861837612 686191136 /nfs/dbraw/zinc/19/11/36/686191136.db2.gz GDPICKYVPJFLTA-ZHACJKMWSA-N 0 3 300.402 2.170 20 30 DEEDHN CCN(C(=O)c1ccc(C#N)c(OC)c1)C1CCN(C)CC1 ZINC000861890022 686200481 /nfs/dbraw/zinc/20/04/81/686200481.db2.gz CFCKCPKXALGVCV-UHFFFAOYSA-N 0 3 301.390 2.123 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1cc(F)cc(F)c1 ZINC001054636031 694010972 /nfs/dbraw/zinc/01/09/72/694010972.db2.gz IZVLYZANOWNIHX-SJCJKPOMSA-N 0 3 318.367 2.315 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c1 ZINC001054656841 694017036 /nfs/dbraw/zinc/01/70/36/694017036.db2.gz LMNAOWVZMKYWTG-KDOFPFPSSA-N 0 3 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C#CCN1CCC2(C[C@@H]2NC(=O)c2ccnc3ccccc32)CC1 ZINC001016715600 687688738 /nfs/dbraw/zinc/68/87/38/687688738.db2.gz NQGMLGSLNGWRRJ-SFHVURJKSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(F)cc(C)cc2F)CC1 ZINC001016721577 687690277 /nfs/dbraw/zinc/69/02/77/687690277.db2.gz LHJNESUHOGQNQD-HNNXBMFYSA-N 0 3 318.367 2.491 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001016723699 687690445 /nfs/dbraw/zinc/69/04/45/687690445.db2.gz IGKZIYHVUYYNJB-CVEARBPZSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001016737552 687692869 /nfs/dbraw/zinc/69/28/69/687692869.db2.gz WYURFEBULJEOTM-JKSUJKDBSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(C)noc2C2CC2)CC1 ZINC001016736822 687693136 /nfs/dbraw/zinc/69/31/36/687693136.db2.gz SAWRFVUBBVXDQH-AWEZNQCLSA-N 0 3 313.401 2.078 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C(C)C)on2)CC1 ZINC001016750633 687695322 /nfs/dbraw/zinc/69/53/22/687695322.db2.gz 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CCCN(CCN1CCCCC1)C(=O)[C@]1(C#N)CCCOC1 ZINC000868286763 687969246 /nfs/dbraw/zinc/96/92/46/687969246.db2.gz UDLMEXCFGSEADJ-KRWDZBQOSA-N 0 3 307.438 2.031 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccncc2C1 ZINC001017950980 688009463 /nfs/dbraw/zinc/00/94/63/688009463.db2.gz XCIKEOYKULNTPL-NXHRZFHOSA-N 0 3 311.429 2.048 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001018054325 688041138 /nfs/dbraw/zinc/04/11/38/688041138.db2.gz HZQMCBLVBWOWNZ-YVSFHVDLSA-N 0 3 304.434 2.219 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)c[nH]c1=O ZINC001018125157 688058820 /nfs/dbraw/zinc/05/88/20/688058820.db2.gz VKESKCCLEQKMCV-GASCZTMLSA-N 0 3 315.417 2.215 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](CC)C1 ZINC001018156088 688066438 /nfs/dbraw/zinc/06/64/38/688066438.db2.gz JPBIUCIEDYAPHB-MWDXBVQZSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccn1 ZINC001018155794 688066491 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CC(C)NC(=O)C(C#N)C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000870143330 688496708 /nfs/dbraw/zinc/49/67/08/688496708.db2.gz SDKFGMJGMDQMOW-QNMSZWNNSA-N 0 3 304.390 2.005 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001020329367 688505642 /nfs/dbraw/zinc/50/56/42/688505642.db2.gz DOTOQDOXEMYLHG-JOCQHMNTSA-N 0 3 318.808 2.246 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001020351730 688507531 /nfs/dbraw/zinc/50/75/31/688507531.db2.gz PDXYORMHRHJGEB-ZKCHVHJHSA-N 0 3 323.702 2.296 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001028716453 688542357 /nfs/dbraw/zinc/54/23/57/688542357.db2.gz XYUCUOVBORLOSL-OAHLLOKOSA-N 0 3 311.429 2.342 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001028832508 688544411 /nfs/dbraw/zinc/54/44/11/688544411.db2.gz NAMWVFJMJMRNQZ-LPHOPBHVSA-N 0 3 310.441 2.253 20 30 DEEDHN Cc1ncc2n1C[C@H](C(=O)Nc1nc3ccc(C#N)cc3[nH]1)CC2 ZINC000871072180 688724230 /nfs/dbraw/zinc/72/42/30/688724230.db2.gz JCGVAQMEZNUSPO-GFCCVEGCSA-N 0 3 320.356 2.141 20 30 DEEDHN Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(C#N)c1 ZINC000872432575 688999482 /nfs/dbraw/zinc/99/94/82/688999482.db2.gz XGKBBAZFWUVBAD-UHFFFAOYSA-N 0 3 321.446 2.021 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001031883146 689014006 /nfs/dbraw/zinc/01/40/06/689014006.db2.gz FFYCTLXTFZCOOW-UHFFFAOYSA-N 0 3 310.401 2.314 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001031971085 689033661 /nfs/dbraw/zinc/03/36/61/689033661.db2.gz DZTPICBSVUJKBB-UHFFFAOYSA-N 0 3 310.319 2.448 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001032199663 689082643 /nfs/dbraw/zinc/08/26/43/689082643.db2.gz VUUREXKUEVGDMU-UHFFFAOYSA-N 0 3 312.413 2.303 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]ccc2c1 ZINC001032461835 689157217 /nfs/dbraw/zinc/15/72/17/689157217.db2.gz CTYJAUIDBYMQAC-HOTGVXAUSA-N 0 3 310.401 2.379 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)cc1 ZINC001032775693 689255779 /nfs/dbraw/zinc/25/57/79/689255779.db2.gz BWVPMHUGNYWGFW-IRXDYDNUSA-N 0 3 300.402 2.308 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(F)cc1 ZINC001032776600 689257070 /nfs/dbraw/zinc/25/70/70/689257070.db2.gz PNXBQJAMOMAHOE-GJZGRUSLSA-N 0 3 304.365 2.066 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(F)c(F)c1 ZINC001032816642 689270144 /nfs/dbraw/zinc/27/01/44/689270144.db2.gz ZHACKNSXPNMQGM-STQMWFEESA-N 0 3 322.355 2.205 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001033092956 689384798 /nfs/dbraw/zinc/38/47/98/689384798.db2.gz QSOIDWGOUOGTTL-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033118304 689395184 /nfs/dbraw/zinc/39/51/84/689395184.db2.gz BAKZYKYYWRXQHP-GJZGRUSLSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(N(C)C)cc2F)C1 ZINC001033148401 689405186 /nfs/dbraw/zinc/40/51/86/689405186.db2.gz BWMDMPSYNOCREC-OAHLLOKOSA-N 0 3 317.408 2.061 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)cc(OC)c2C)C1 ZINC001033237622 689434896 /nfs/dbraw/zinc/43/48/96/689434896.db2.gz LRPBSQZWXCBVLM-INIZCTEOSA-N 0 3 314.429 2.482 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC001033239346 689435795 /nfs/dbraw/zinc/43/57/95/689435795.db2.gz CGKKYOZXKLHWIG-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2noc3ccccc32)C1 ZINC001033242982 689436712 /nfs/dbraw/zinc/43/67/12/689436712.db2.gz CMKDLWKMBYYPGN-CQSZACIVSA-N 0 3 313.401 2.479 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001033269212 689445492 /nfs/dbraw/zinc/44/54/92/689445492.db2.gz PGQOCEBKFPOYQE-WMZOPIPTSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001033275965 689448271 /nfs/dbraw/zinc/44/82/71/689448271.db2.gz QOVTYADKECACAK-HOCLYGCPSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033308155 689456494 /nfs/dbraw/zinc/45/64/94/689456494.db2.gz DNXRXIIOUOSABQ-INIZCTEOSA-N 0 3 311.429 2.437 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001033355740 689474766 /nfs/dbraw/zinc/47/47/66/689474766.db2.gz NPEIFSDAQXPWSB-OAHLLOKOSA-N 0 3 317.433 2.055 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001033359901 689476221 /nfs/dbraw/zinc/47/62/21/689476221.db2.gz CJMBPVURGQBLJE-AWEZNQCLSA-N 0 3 303.406 2.123 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874822577 689499599 /nfs/dbraw/zinc/49/95/99/689499599.db2.gz CAIUYOAZLQYUKL-OLMNPRSZSA-N 0 3 311.429 2.432 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001033449239 689502411 /nfs/dbraw/zinc/50/24/11/689502411.db2.gz PXWMSMGCWKSVOK-CYBMUJFWSA-N 0 3 314.389 2.392 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sc(N(C)C)nc2C)C1 ZINC001033479240 689516090 /nfs/dbraw/zinc/51/60/90/689516090.db2.gz HMWAANUWRXPJHC-CYBMUJFWSA-N 0 3 322.478 2.240 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccccc2COC)C1 ZINC001033499441 689521974 /nfs/dbraw/zinc/52/19/74/689521974.db2.gz KRVIDPPRPWZDAU-KRWDZBQOSA-N 0 3 302.418 2.094 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001033555857 689541416 /nfs/dbraw/zinc/54/14/16/689541416.db2.gz WAXLYMLYZAJIGH-CVEARBPZSA-N 0 3 324.428 2.153 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001033569169 689546922 /nfs/dbraw/zinc/54/69/22/689546922.db2.gz SIUWHYMIUFLPBC-GOEBONIOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001033574833 689548299 /nfs/dbraw/zinc/54/82/99/689548299.db2.gz CHFPUTUVGHBOHP-GOSISDBHSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccccc3oc2=O)C1 ZINC001033634775 689567875 /nfs/dbraw/zinc/56/78/75/689567875.db2.gz XQQOBPITIJKPED-AWEZNQCLSA-N 0 3 312.369 2.125 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001033672875 689580048 /nfs/dbraw/zinc/58/00/48/689580048.db2.gz STPIFUXCBQKTBT-ZDUSSCGKSA-N 0 3 314.389 2.392 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001033698788 689587525 /nfs/dbraw/zinc/58/75/25/689587525.db2.gz YICOPAQPWVPHDH-FGTMMUONSA-N 0 3 314.404 2.485 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)c2ccc(CN(CC)CC)o2)C1 ZINC001033699610 689588428 /nfs/dbraw/zinc/58/84/28/689588428.db2.gz ONNIHTNSCVRUPY-HNNXBMFYSA-N 0 3 319.449 2.454 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001033706468 689589347 /nfs/dbraw/zinc/58/93/47/689589347.db2.gz GWKWOYVLRONQFU-CJNGLKHVSA-N 0 3 318.465 2.249 20 30 DEEDHN N#Cc1ccccc1NC1CCN(CCO[C@@H]2CCOC2)CC1 ZINC000931032551 694298067 /nfs/dbraw/zinc/29/80/67/694298067.db2.gz KRKIYZFWLDYUQT-QGZVFWFLSA-N 0 3 315.417 2.240 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001033872337 689646383 /nfs/dbraw/zinc/64/63/83/689646383.db2.gz MKMVLZKNAOBHMA-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ncnc3[nH]ccc32)C1 ZINC001033883272 689649640 /nfs/dbraw/zinc/64/96/40/689649640.db2.gz MWCNMTQBPWPXCP-ZDUSSCGKSA-N 0 3 313.405 2.022 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033894119 689653921 /nfs/dbraw/zinc/65/39/21/689653921.db2.gz DSXCMUJJMNVPQA-MRXNPFEDSA-N 0 3 309.413 2.499 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccnc2OCC)C1 ZINC001034029423 689699144 /nfs/dbraw/zinc/69/91/44/689699144.db2.gz PTGVXSSWYGEVFA-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3nccnc3c2)C1 ZINC001034040659 689703295 /nfs/dbraw/zinc/70/32/95/689703295.db2.gz ZDFMSMQAZKGHSL-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001034207854 689762944 /nfs/dbraw/zinc/76/29/44/689762944.db2.gz PBAXKGXBENVFQK-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001034219507 689767797 /nfs/dbraw/zinc/76/77/97/689767797.db2.gz MYAIYCWSYWXZHV-LSDHHAIUSA-N 0 3 304.438 2.070 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001034224906 689771438 /nfs/dbraw/zinc/77/14/38/689771438.db2.gz DNOMOXPZODVILV-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001034237528 689775559 /nfs/dbraw/zinc/77/55/59/689775559.db2.gz UTHQWNDLFKDAOE-CYBMUJFWSA-N 0 3 321.396 2.390 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001034238730 689776643 /nfs/dbraw/zinc/77/66/43/689776643.db2.gz MAZKBAJRWPGPED-HNNXBMFYSA-N 0 3 317.433 2.248 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001034297061 689799661 /nfs/dbraw/zinc/79/96/61/689799661.db2.gz WNZQQHZRPRTHEW-AWEZNQCLSA-N 0 3 304.390 2.027 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000876322002 689801242 /nfs/dbraw/zinc/80/12/42/689801242.db2.gz BVTLRZSLHVOTHF-OAHLLOKOSA-N 0 3 311.470 2.125 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc3nccn32)C1 ZINC001034309009 689804474 /nfs/dbraw/zinc/80/44/74/689804474.db2.gz FSVUBQAJNZZUIQ-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001034364855 689824525 /nfs/dbraw/zinc/82/45/25/689824525.db2.gz MZMSMVGXOMZMMR-MRXNPFEDSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001034393024 689833739 /nfs/dbraw/zinc/83/37/39/689833739.db2.gz AFCKDAXJRRDHQN-CQSZACIVSA-N 0 3 307.825 2.434 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000876555462 689854799 /nfs/dbraw/zinc/85/47/99/689854799.db2.gz ZQXFSBQTSAYOPD-GFCCVEGCSA-N 0 3 312.797 2.132 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000876556224 689855249 /nfs/dbraw/zinc/85/52/49/689855249.db2.gz KEPRFEPSPBAAFW-ZDUSSCGKSA-N 0 3 323.824 2.170 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001034489697 689870912 /nfs/dbraw/zinc/87/09/12/689870912.db2.gz HVWHVWLMYFRVLI-CYBMUJFWSA-N 0 3 324.856 2.411 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC(c2nncn2C)CC1 ZINC000876611129 689876502 /nfs/dbraw/zinc/87/65/02/689876502.db2.gz RLNSPIFYGRBAPJ-UHFFFAOYSA-N 0 3 324.432 2.132 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000876637905 689884404 /nfs/dbraw/zinc/88/44/04/689884404.db2.gz VPEGHMPALOOJFO-CQSZACIVSA-N 0 3 321.808 2.394 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000876639155 689885295 /nfs/dbraw/zinc/88/52/95/689885295.db2.gz BGGCFHUUHMTKFI-NWDGAFQWSA-N 0 3 310.781 2.105 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccnc2N(C)C)C1 ZINC001034527658 689886231 /nfs/dbraw/zinc/88/62/31/689886231.db2.gz KJGNIUCDSYNNCO-HNNXBMFYSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000876668697 689895271 /nfs/dbraw/zinc/89/52/71/689895271.db2.gz OCELUWLWSXLROR-CABCVRRESA-N 0 3 308.809 2.365 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC000876682914 689901109 /nfs/dbraw/zinc/90/11/09/689901109.db2.gz NTLLMZHHAFTQGO-BXUZGUMPSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(COC)nc2c1 ZINC000876697079 689906386 /nfs/dbraw/zinc/90/63/86/689906386.db2.gz PPLLGHNPGPUDQP-JTQLQIEISA-N 0 3 309.753 2.383 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000876729348 689918288 /nfs/dbraw/zinc/91/82/88/689918288.db2.gz KPYLAXFFSVOXPQ-QWHCGFSZSA-N 0 3 305.809 2.472 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1noc(-c2ccccc2C)n1 ZINC000876893053 689966301 /nfs/dbraw/zinc/96/63/01/689966301.db2.gz HOCWPLZDJFUCLV-GFCCVEGCSA-N 0 3 320.780 2.131 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000876897258 689967512 /nfs/dbraw/zinc/96/75/12/689967512.db2.gz IILLLVBXFLBHHR-NSHDSACASA-N 0 3 307.785 2.261 20 30 DEEDHN CN(C)C(=O)C1(CNCc2cc(C#N)cnc2Cl)CCCC1 ZINC000877029531 690002150 /nfs/dbraw/zinc/00/21/50/690002150.db2.gz GHATUKWCVBFERM-UHFFFAOYSA-N 0 3 320.824 2.345 20 30 DEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(OC)c1OC ZINC000877228709 690050682 /nfs/dbraw/zinc/05/06/82/690050682.db2.gz CPDVNLRSTGYYJM-KBPBESRZSA-N 0 3 319.405 2.292 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@](C)(O)C1CC1)CC2 ZINC001035689723 690153483 /nfs/dbraw/zinc/15/34/83/690153483.db2.gz CLGRKEZKPDVCTJ-QGZVFWFLSA-N 0 3 306.450 2.038 20 30 DEEDHN C#CCOc1ccc(CNCc2cc(C(=O)OC)c(C)[nH]2)cc1 ZINC000877568556 690154424 /nfs/dbraw/zinc/15/44/24/690154424.db2.gz RBMJKQBZKYPXCZ-UHFFFAOYSA-N 0 3 312.369 2.412 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CC(OCC)C1)CC2 ZINC001035697196 690154456 /nfs/dbraw/zinc/15/44/56/690154456.db2.gz BIAHEAMLVMKAPF-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC001035804457 690180351 /nfs/dbraw/zinc/18/03/51/690180351.db2.gz WQKQJFKEKPDYME-UHFFFAOYSA-N 0 3 314.433 2.401 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnn(CC)c1C)CC2 ZINC001035822350 690185298 /nfs/dbraw/zinc/18/52/98/690185298.db2.gz VLZPXWWELCIQAS-UHFFFAOYSA-N 0 3 316.449 2.326 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(Cl)cn1)CC2 ZINC001035840636 690189772 /nfs/dbraw/zinc/18/97/72/690189772.db2.gz CRSAIRJODCFSNK-UHFFFAOYSA-N 0 3 317.820 2.296 20 30 DEEDHN Cc1cc(CN[C@H](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)on1 ZINC001036403625 690342445 /nfs/dbraw/zinc/34/24/45/690342445.db2.gz LFBDDWUKUOQBKM-ZBFHGGJFSA-N 0 3 315.417 2.113 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@H]([C@@H](C)O)C1)c1ccccc1 ZINC000878390980 690393916 /nfs/dbraw/zinc/39/39/16/690393916.db2.gz GBHSTKBQYJKZSQ-UWWQBHOKSA-N 0 3 300.402 2.130 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@H]2COC[C@@]2(C)C1)c1ccccc1 ZINC000878948765 690535763 /nfs/dbraw/zinc/53/57/63/690535763.db2.gz FTOQEIPYCIPPNT-IPMKNSEASA-N 0 3 312.413 2.395 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](C)[C@@H](CO)C1)c1ccccc1 ZINC000879021127 690551439 /nfs/dbraw/zinc/55/14/39/690551439.db2.gz RDASZCZJAZZVIW-KVSKMBFKSA-N 0 3 314.429 2.377 20 30 DEEDHN N#Cc1ccc(C2CCN(C[C@H]3CC4(CC4)C(=O)O3)CC2)nc1 ZINC000879024310 690551911 /nfs/dbraw/zinc/55/19/11/690551911.db2.gz VEKRWPFJANTTKK-OAHLLOKOSA-N 0 3 311.385 2.228 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038248981 690756877 /nfs/dbraw/zinc/75/68/77/690756877.db2.gz RDIWZMXNNDTVCD-HNNXBMFYSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN1CC[C@@H]1CCCO1 ZINC001038343616 690788528 /nfs/dbraw/zinc/78/85/28/690788528.db2.gz BIJQDDJGUQUUQN-CVEARBPZSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001038368293 690797715 /nfs/dbraw/zinc/79/77/15/690797715.db2.gz OFFOZPVQFHFRSG-OAHLLOKOSA-N 0 3 312.417 2.331 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCN2CC2CC2)cc1 ZINC001038429160 690820295 /nfs/dbraw/zinc/82/02/95/690820295.db2.gz WNZBMAFERXNJMC-MRXNPFEDSA-N 0 3 300.402 2.466 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038451568 690826265 /nfs/dbraw/zinc/82/62/65/690826265.db2.gz SSEVFQCRNIIZDL-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001038506524 690843778 /nfs/dbraw/zinc/84/37/78/690843778.db2.gz LHOKFWZIWHRXMF-HIFRSBDPSA-N 0 3 318.392 2.458 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038522483 690849804 /nfs/dbraw/zinc/84/98/04/690849804.db2.gz FOHRZKWDYUNXGQ-MRXNPFEDSA-N 0 3 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CC#CCN1CC[C@@]2(CCN(C(=O)c3cnc(CC)s3)C2)C1 ZINC001041852800 691445997 /nfs/dbraw/zinc/44/59/97/691445997.db2.gz XDACPKKINKXZAF-QGZVFWFLSA-N 0 3 317.458 2.267 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](OC)C3CCCCC3)C2)C1 ZINC001041865185 691450073 /nfs/dbraw/zinc/45/00/73/691450073.db2.gz HNHGAWRZPUMVPR-PKOBYXMFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCC[C@H](NCCS(=O)(=O)CC)[C@@H]1Cc2ccccc2O1 ZINC000883184628 691451569 /nfs/dbraw/zinc/45/15/69/691451569.db2.gz AYTBVIKJIXHOCT-RDJZCZTQSA-N 0 3 323.458 2.349 20 30 DEEDHN C=CCC[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)[C@@H]1CCCO1 ZINC000883233700 691462793 /nfs/dbraw/zinc/46/27/93/691462793.db2.gz NZDMIXUWXYFABN-IHRRRGAJSA-N 0 3 306.410 2.260 20 30 DEEDHN C=CCC[C@H](NCc1nc([C@@H]2CCCO2)n[nH]1)[C@@H]1CCCO1 ZINC000883233700 691462798 /nfs/dbraw/zinc/46/27/98/691462798.db2.gz NZDMIXUWXYFABN-IHRRRGAJSA-N 0 3 306.410 2.260 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3c(C)noc3C)C[C@@H]21 ZINC001041930434 691468052 /nfs/dbraw/zinc/46/80/52/691468052.db2.gz 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ZINC001042122648 691514106 /nfs/dbraw/zinc/51/41/06/691514106.db2.gz ACTOCZXNVAJMNO-HOCLYGCPSA-N 0 3 316.449 2.361 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)c3c4c[nH]nc4ccc3C)C[C@@H]21 ZINC001042121919 691514371 /nfs/dbraw/zinc/51/43/71/691514371.db2.gz JYKVWELSZHOVFK-YOEHRIQHSA-N 0 3 322.412 2.041 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cnn(C)c3CCC)C[C@H]21 ZINC001042131798 691516246 /nfs/dbraw/zinc/51/62/46/691516246.db2.gz XKTMTUZUUHSAAI-RHSMWYFYSA-N 0 3 316.449 2.095 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)c3c[nH]c4ccccc34)C[C@@H]21 ZINC001042136802 691517958 /nfs/dbraw/zinc/51/79/58/691517958.db2.gz DEEAYEJIJLJEDX-KDOFPFPSSA-N 0 3 307.397 2.338 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)c3ccn4ccccc34)C[C@@H]21 ZINC001042151015 691522918 /nfs/dbraw/zinc/52/29/18/691522918.db2.gz XXVKZKUXAIEQFT-QAPCUYQASA-N 0 3 307.397 2.109 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3cc(OC)cs3)C[C@H]21 ZINC001042184242 691530858 /nfs/dbraw/zinc/53/08/58/691530858.db2.gz UZJLESCLIFNNRS-DZGCQCFKSA-N 0 3 318.442 2.316 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C[C@@H]21 ZINC001042205822 691535762 /nfs/dbraw/zinc/53/57/62/691535762.db2.gz ZGSFCFFWEALZJZ-GJZGRUSLSA-N 0 3 315.417 2.123 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C[C@@H]21 ZINC001042207108 691535887 /nfs/dbraw/zinc/53/58/87/691535887.db2.gz MMNQIRITCCECGX-YOEHRIQHSA-N 0 3 311.429 2.452 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ocnc3CC)C[C@H]21 ZINC001042228539 691539811 /nfs/dbraw/zinc/53/98/11/691539811.db2.gz VKWJJMOAAOMTEZ-DZGCQCFKSA-N 0 3 303.406 2.350 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3noc4c3CCCC4)C[C@H]21 ZINC001042246509 691546887 /nfs/dbraw/zinc/54/68/87/691546887.db2.gz YDQRFXZSUJLTCM-UKRRQHHQSA-N 0 3 315.417 2.276 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn(CCC)c3)C[C@@H]21 ZINC001042253112 691549763 /nfs/dbraw/zinc/54/97/63/691549763.db2.gz PNFOOQMCCAIHRM-HOCLYGCPSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3csc4cncn43)C[C@H]21 ZINC001042256802 691550479 /nfs/dbraw/zinc/55/04/79/691550479.db2.gz ZWUJHHDTCSBJNQ-CHWSQXEVSA-N 0 3 316.430 2.118 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccn(CC)n3)C[C@@H]21 ZINC001042260783 691552000 /nfs/dbraw/zinc/55/20/00/691552000.db2.gz WSBRRYCIDYPCPW-ZBFHGGJFSA-N 0 3 302.422 2.016 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC[C@@H]1CCCC1(F)F ZINC000883668282 691560331 /nfs/dbraw/zinc/56/03/31/691560331.db2.gz SHLYIAXMDLSMBE-ZDUSSCGKSA-N 0 3 301.381 2.066 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@H]21 ZINC001042302993 691562861 /nfs/dbraw/zinc/56/28/61/691562861.db2.gz BMCSFZQPPHVXNE-LSDHHAIUSA-N 0 3 315.417 2.358 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CC4(C3)CCOCC4)C[C@@H]21 ZINC001042311683 691565862 /nfs/dbraw/zinc/56/58/62/691565862.db2.gz LEWSGQFYSFNBAX-WBVHZDCISA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@H]21 ZINC001042322185 691569571 /nfs/dbraw/zinc/56/95/71/691569571.db2.gz MOWQVNSLIWRHKO-IUODEOHRSA-N 0 3 305.809 2.457 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)COc3ccccc3)C[C@@H]21 ZINC001042335714 691574376 /nfs/dbraw/zinc/57/43/76/691574376.db2.gz MWGMWYXBAMXRDD-WBVHZDCISA-N 0 3 300.402 2.174 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(N(C)C)c3)C[C@@H]21 ZINC001042336153 691574635 /nfs/dbraw/zinc/57/46/35/691574635.db2.gz SLKFDZCDRSTKPF-YJBOKZPZSA-N 0 3 313.445 2.475 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CCc3ccc(C)o3)C[C@H]21 ZINC001042367276 691583748 /nfs/dbraw/zinc/58/37/48/691583748.db2.gz DSMYDVDBCFYTFZ-FUHWJXTLSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3N(C)C)C[C@@H]21 ZINC001042373827 691585422 /nfs/dbraw/zinc/58/54/22/691585422.db2.gz JCKDYDXMBRNUSH-YJBOKZPZSA-N 0 3 313.445 2.475 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NCC1(c3ccccc3)CCC1)C2 ZINC000884064202 691644669 /nfs/dbraw/zinc/64/46/69/691644669.db2.gz ZNKAXYVGFZSTPG-CMVHYPBASA-N 0 3 323.440 2.364 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC[C@@H](c3ccccc3)C1)C2 ZINC000884082410 691650056 /nfs/dbraw/zinc/65/00/56/691650056.db2.gz GNVAHXFGFYQJLJ-XNGIKWSVSA-N 0 3 309.413 2.142 20 30 DEEDHN COc1c(F)cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1F ZINC000884083751 691650659 /nfs/dbraw/zinc/65/06/59/691650659.db2.gz YLELHUFIWBFXFV-IAZHFHGHSA-N 0 3 321.327 2.051 20 30 DEEDHN Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884100875 691654773 /nfs/dbraw/zinc/65/47/73/691654773.db2.gz HTMVVVVNFXTNLF-QZDWLRDRSA-N 0 3 309.413 2.238 20 30 DEEDHN Cc1cccc2c1CC[C@@H]2NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884129102 691661607 /nfs/dbraw/zinc/66/16/07/691661607.db2.gz XSCIWDFJNOCWLK-NKCCXGTCSA-N 0 3 309.413 2.238 20 30 DEEDHN C#CCCN1CC(N(C)C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC001042947533 691663074 /nfs/dbraw/zinc/66/30/74/691663074.db2.gz IEVFKEHTZFIMFI-UHFFFAOYSA-N 0 3 314.433 2.237 20 30 DEEDHN Cc1cccc([C@@H](C)CNC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884151897 691668017 /nfs/dbraw/zinc/66/80/17/691668017.db2.gz XAGHMRLXOLWJDW-WAZRQNRBSA-N 0 3 311.429 2.354 20 30 DEEDHN C[C@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884153990 691669021 /nfs/dbraw/zinc/66/90/21/691669021.db2.gz WPHUFEBZXMZTPV-FVYVLVSMSA-N 0 3 309.413 2.099 20 30 DEEDHN CC(C)C1CCC(NC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884163882 691671037 /nfs/dbraw/zinc/67/10/37/691671037.db2.gz RNHOYOZHECVFOW-VQPISSSBSA-N 0 3 303.450 2.457 20 30 DEEDHN CCS[C@@H]1CC[C@H](N(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884168298 691672429 /nfs/dbraw/zinc/67/24/29/691672429.db2.gz CBNMXAGBUWRSMH-WCCAFZKYSA-N 0 3 321.490 2.258 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc3ncccc31)C2 ZINC000884176789 691674399 /nfs/dbraw/zinc/67/43/99/691674399.db2.gz PZGWYAIVTKJFCR-YNAXMUEKSA-N 0 3 306.369 2.313 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1CCCc3sccc31)C2 ZINC000884310153 691706446 /nfs/dbraw/zinc/70/64/46/691706446.db2.gz PPRONEXWVWGIEG-LBSYLANBSA-N 0 3 315.442 2.381 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccccc2C#N)CCN1C(=O)c1ccon1 ZINC001044483985 691840047 /nfs/dbraw/zinc/84/00/47/691840047.db2.gz SRODVDSPKWQVQL-BBRMVZONSA-N 0 3 324.384 2.329 20 30 DEEDHN CCC(=O)N1CCC[C@H]1CNCc1cc(C#N)ccc1OC ZINC001044885171 691902551 /nfs/dbraw/zinc/90/25/51/691902551.db2.gz GCTIEXLNUQMZAQ-HNNXBMFYSA-N 0 3 301.390 2.057 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCCN2C(=O)C2CC2)c(F)c1 ZINC001044892059 691903971 /nfs/dbraw/zinc/90/39/71/691903971.db2.gz WZWDCOJIMCZSPL-HNNXBMFYSA-N 0 3 301.365 2.188 20 30 DEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1sccc1C#N ZINC000931842415 694490586 /nfs/dbraw/zinc/49/05/86/694490586.db2.gz HYZHMNKUNSYEMK-CYBMUJFWSA-N 0 3 322.434 2.194 20 30 DEEDHN Cc1nn(C(C)C)cc1CNC[C@@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001044961693 691920210 /nfs/dbraw/zinc/92/02/10/691920210.db2.gz REEOIVVCVORIAX-BBRMVZONSA-N 0 3 317.437 2.013 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(C)c2Cl)CC1 ZINC000932409805 694608971 /nfs/dbraw/zinc/60/89/71/694608971.db2.gz KNIRXKVDVFFKFV-UHFFFAOYSA-N 0 3 311.817 2.236 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1ccc(OC)nc1 ZINC001045149779 691941384 /nfs/dbraw/zinc/94/13/84/691941384.db2.gz RUPCBEMFVVIUJH-HNNXBMFYSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H]2CCN2C2CCOCC2)CCCCC1 ZINC000885883355 691956127 /nfs/dbraw/zinc/95/61/27/691956127.db2.gz ROESSWXUWJIDLJ-KRWDZBQOSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2nc3cccnc3s2)CC1 ZINC001045461860 691984648 /nfs/dbraw/zinc/98/46/48/691984648.db2.gz RDQXJIAMZVQIBD-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)c2cc(Cl)cn2C)CC1 ZINC001045495804 691989074 /nfs/dbraw/zinc/98/90/74/691989074.db2.gz HZKZOINNMOKJSI-UHFFFAOYSA-N 0 3 307.825 2.286 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2ccc3ccncc3n2)CC1 ZINC001045506233 691990946 /nfs/dbraw/zinc/99/09/46/691990946.db2.gz ZOHXXDJLRGUBGM-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001045613564 692004951 /nfs/dbraw/zinc/00/49/51/692004951.db2.gz TZZAPMJNVRDFTD-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN N#CC1(C[C@@H](O)CN2CC[C@](O)(c3ccc(F)cc3)C2)CCC1 ZINC000886116656 692006675 /nfs/dbraw/zinc/00/66/75/692006675.db2.gz MZHRRSZSLOZUMJ-SJLPKXTDSA-N 0 3 318.392 2.164 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C3CC(C)(C)C3)C2)CC1 ZINC001045670162 692012467 /nfs/dbraw/zinc/01/24/67/692012467.db2.gz PECKRQDPLXCJIR-INIZCTEOSA-N 0 3 318.461 2.043 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3CC[C@H](C4CC4)O3)C2)nc1 ZINC000886215984 692026589 /nfs/dbraw/zinc/02/65/89/692026589.db2.gz UNYBUAWBSIZBCI-GVDBMIGSSA-N 0 3 313.401 2.364 20 30 DEEDHN Cn1ncc2c1CC(C)(C)CN(C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886289130 692045999 /nfs/dbraw/zinc/04/59/99/692045999.db2.gz ODFXURXBFIZOKI-HNNXBMFYSA-N 0 3 316.449 2.249 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cccn1C)C2 ZINC001045915355 692048135 /nfs/dbraw/zinc/04/81/35/692048135.db2.gz MVEXOZMDRYADCD-IBGZPJMESA-N 0 3 313.445 2.367 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)COC1CCCC1)C2 ZINC001045917089 692049109 /nfs/dbraw/zinc/04/91/09/692049109.db2.gz OZKDOCSYAFDDLJ-IBGZPJMESA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCOC1)C2 ZINC001045930684 692054900 /nfs/dbraw/zinc/05/49/00/692054900.db2.gz PSVJJGVTRJEQPW-MJGOQNOKSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccn(C)c1)C2 ZINC001045931577 692055300 /nfs/dbraw/zinc/05/53/00/692055300.db2.gz KRAGYNRNTODISK-LJQANCHMSA-N 0 3 313.445 2.367 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)Cc1ccoc1)C2 ZINC001045933008 692055959 /nfs/dbraw/zinc/05/59/59/692055959.db2.gz SIGSBHRIKLHWOK-SFHVURJKSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cc(F)c[nH]1)C2 ZINC001045952244 692061523 /nfs/dbraw/zinc/06/15/23/692061523.db2.gz NTVGMTGQQAJWEN-QGZVFWFLSA-N 0 3 303.381 2.105 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cnoc1CC)C2 ZINC001045970476 692065383 /nfs/dbraw/zinc/06/53/83/692065383.db2.gz GGHOJAYDXVPZSX-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000886357604 692065761 /nfs/dbraw/zinc/06/57/61/692065761.db2.gz JIATZEYVZOSZTC-KGLIPLIRSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@]1(C)CCCOC1)C2 ZINC001045976712 692067539 /nfs/dbraw/zinc/06/75/39/692067539.db2.gz JDYPXPPQMMDAIF-MOPGFXCFSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCCOC1)C2 ZINC001045985305 692069491 /nfs/dbraw/zinc/06/94/91/692069491.db2.gz QXEPYLRVEVRSNA-HKUYNNGSSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)C3CCCCCC3)CC2)C1 ZINC001046011998 692072951 /nfs/dbraw/zinc/07/29/51/692072951.db2.gz KENRIVZLHIFPHM-GOSISDBHSA-N 0 3 319.493 2.361 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)c3ccsc3C)CC2)C1 ZINC001046029678 692076339 /nfs/dbraw/zinc/07/63/39/692076339.db2.gz ZIUHWXXBCBVQBX-HNNXBMFYSA-N 0 3 319.474 2.075 20 30 DEEDHN C#CCN(C(=O)[C@H](OCC)C1CCCC1)C1CCN(C)CC1 ZINC000886572348 692112911 /nfs/dbraw/zinc/11/29/11/692112911.db2.gz IOYQLCRUCVWFRW-QGZVFWFLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C(=O)/C=C/c1cccc(F)c1)C1CCN(C)CC1 ZINC000886571353 692113152 /nfs/dbraw/zinc/11/31/52/692113152.db2.gz SLZRRVMZCLZXMG-BQYQJAHWSA-N 0 3 300.377 2.395 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1ccccc1 ZINC000886572081 692113199 /nfs/dbraw/zinc/11/31/99/692113199.db2.gz WWQOLUJSCZTWKL-WZGPROSRSA-N 0 3 312.413 2.130 20 30 DEEDHN C#CCN(C(=O)Cc1ccc2cccnc2c1)C1CCN(C)CC1 ZINC000886572192 692113573 /nfs/dbraw/zinc/11/35/73/692113573.db2.gz BRFRTLRPZZTXCE-UHFFFAOYSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN(C(=O)c1cn(CCCC)nc1C)C1CCN(C)CC1 ZINC000886578854 692115550 /nfs/dbraw/zinc/11/55/50/692115550.db2.gz OGTJVYCHPLOHIS-UHFFFAOYSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCN(C(=O)CCCCOCCC=C)C1CCN(C)CC1 ZINC000886578919 692115567 /nfs/dbraw/zinc/11/55/67/692115567.db2.gz RBIVPNPMUNGWPJ-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCO[C@@H](CC)C1)C1CCN(C)CC1 ZINC000886578782 692115587 /nfs/dbraw/zinc/11/55/87/692115587.db2.gz LHQRFMHXGJQVDG-RDJZCZTQSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCO[C@H](CCC)C1)C1CCN(C)CC1 ZINC000886578544 692115693 /nfs/dbraw/zinc/11/56/93/692115693.db2.gz 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/nfs/dbraw/zinc/32/31/80/1157323180.db2.gz GDZFAEFNYIKWJC-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)C2CCC2)C2CC2)s1 ZINC001392756308 1157390644 /nfs/dbraw/zinc/39/06/44/1157390644.db2.gz NOGLUTRNDIFWCE-OAHLLOKOSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)C1CC(C)C1 ZINC001403359178 1162861816 /nfs/dbraw/zinc/86/18/16/1162861816.db2.gz JHHJPNXSYKULKQ-CKBZRRDASA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cn2cccn2)CCCC[C@H]1C ZINC001373895353 1157442313 /nfs/dbraw/zinc/44/23/13/1157442313.db2.gz JBOXUTXQXJCDER-CJNGLKHVSA-N 0 3 324.856 2.290 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001392939480 1157550989 /nfs/dbraw/zinc/55/09/89/1157550989.db2.gz LJCFGIFAJHYYAL-DLBZAZTESA-N 0 3 309.413 2.343 20 30 DEEDHN Cc1ocnc1C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374257344 1157771781 /nfs/dbraw/zinc/77/17/81/1157771781.db2.gz OXPNBYKKQKKDQU-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]cn1 ZINC001374392500 1157836851 /nfs/dbraw/zinc/83/68/51/1157836851.db2.gz GJDBUYMWELGDHK-DOMZBBRYSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c(Cl)cnn1C)C(C)C ZINC001374420614 1157849283 /nfs/dbraw/zinc/84/92/83/1157849283.db2.gz WCFAGBJXEMNGCB-NSHDSACASA-N 0 3 319.236 2.170 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001393890952 1158049090 /nfs/dbraw/zinc/04/90/90/1158049090.db2.gz PYEWYHLSVHAOIV-UHFFFAOYSA-N 0 3 322.840 2.459 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374882825 1158074001 /nfs/dbraw/zinc/07/40/01/1158074001.db2.gz HGXBUTFUWUOWIY-RYUDHWBXSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cccnc1 ZINC001374989631 1158164274 /nfs/dbraw/zinc/16/42/74/1158164274.db2.gz FLBWIUGMGTUFCG-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)no1 ZINC001375002064 1158186834 /nfs/dbraw/zinc/18/68/34/1158186834.db2.gz MJCATGGYFAKDRQ-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCN(C)C(=O)CN1CCC[C@H]1C ZINC001492826793 1158241670 /nfs/dbraw/zinc/24/16/70/1158241670.db2.gz JCBONPBDKXIYGM-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001394370736 1158436964 /nfs/dbraw/zinc/43/69/64/1158436964.db2.gz NKKWIKNUUQEFMT-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC/C=C/Cl ZINC001394715859 1158721178 /nfs/dbraw/zinc/72/11/78/1158721178.db2.gz NWQQHPBGUKPMCM-ITDFMYJTSA-N 0 3 306.797 2.079 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001376022323 1159055827 /nfs/dbraw/zinc/05/58/27/1159055827.db2.gz UMFLBSBGSILAFA-OLZOCXBDSA-N 0 3 310.829 2.443 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NCc1ccc(C#N)c(F)c1 ZINC001376696818 1159697171 /nfs/dbraw/zinc/69/71/71/1159697171.db2.gz KUJCXBBILOVHFO-LCSDZXHASA-N 0 3 315.392 2.338 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC001376706021 1159709555 /nfs/dbraw/zinc/70/95/55/1159709555.db2.gz LDEJNLZYEBBBEF-DOMZBBRYSA-N 0 3 315.392 2.482 20 30 DEEDHN CCC1(C(=O)NC[C@@H](C)NCc2ccc(OC)c(C#N)c2)CC1 ZINC001376806041 1159807652 /nfs/dbraw/zinc/80/76/52/1159807652.db2.gz UEXZWTZWUVBVMN-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001397127502 1160005979 /nfs/dbraw/zinc/00/59/79/1160005979.db2.gz FBNVBTJPQVRPTA-UXIGCNINSA-N 0 3 324.856 2.151 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)Cc3ccoc3)C2)c1 ZINC001377437132 1160366600 /nfs/dbraw/zinc/36/66/00/1160366600.db2.gz BWSJRAABUAONLY-GOSISDBHSA-N 0 3 323.396 2.332 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)[C@H]1CCCCN1CC ZINC001377510733 1160439008 /nfs/dbraw/zinc/43/90/08/1160439008.db2.gz OCCJKYWCABMXRC-OAHLLOKOSA-N 0 3 315.889 2.442 20 30 DEEDHN Cc1ccc(F)c(CN[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001398376462 1160869819 /nfs/dbraw/zinc/86/98/19/1160869819.db2.gz 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/nfs/dbraw/zinc/90/12/17/1161901217.db2.gz BXFZNBZAXJXYOW-FZMZJTMJSA-N 0 3 303.431 2.356 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cncc2[nH]cnc21)C(C)C ZINC001401327856 1161932935 /nfs/dbraw/zinc/93/29/35/1161932935.db2.gz WFYJHLXHXZNLCM-LBPRGKRZSA-N 0 3 321.812 2.054 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)CCOc1ccc(Cl)cc1 ZINC001401736968 1162100529 /nfs/dbraw/zinc/10/05/29/1162100529.db2.gz RVDHOGRZTNZWOP-STQMWFEESA-N 0 3 323.824 2.315 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ncccn2)CCCC[C@H]1C ZINC001405450235 1164097394 /nfs/dbraw/zinc/09/73/94/1164097394.db2.gz AHOUJBWBKJBXBR-MLGOLLRUSA-N 0 3 322.840 2.497 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)on1 ZINC001405631756 1164167625 /nfs/dbraw/zinc/16/76/25/1164167625.db2.gz BCFHWEINZMQVLM-LBPRGKRZSA-N 0 3 312.373 2.010 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)c1ccco1 ZINC001406325780 1164534765 /nfs/dbraw/zinc/53/47/65/1164534765.db2.gz NDRAYXMBKLUNNB-GFCCVEGCSA-N 0 3 313.357 2.068 20 30 DEEDHN C=C(Cl)CN1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001407126520 1164994259 /nfs/dbraw/zinc/99/42/59/1164994259.db2.gz LWCXVPPTEYPGPB-UHFFFAOYSA-N 0 3 301.862 2.050 20 30 DEEDHN Cc1noc(C)c1CN1CCC(C)(CNC(=O)[C@@H](C)C#N)CC1 ZINC001407265586 1165074777 /nfs/dbraw/zinc/07/47/77/1165074777.db2.gz SJMNZLMLXBQVFJ-LBPRGKRZSA-N 0 3 318.421 2.169 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)CC(C)C)C1 ZINC001417865444 1167270722 /nfs/dbraw/zinc/27/07/22/1167270722.db2.gz PFAMXRLVNFRNPD-UHFFFAOYSA-N 0 3 303.244 2.426 20 30 DEEDHN CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001418021324 1167367028 /nfs/dbraw/zinc/36/70/28/1167367028.db2.gz ISCOECPRKQBURO-MASHWEEQSA-N 0 3 320.824 2.423 20 30 DEEDHN CCCC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001418085634 1167402851 /nfs/dbraw/zinc/40/28/51/1167402851.db2.gz GNPFLVCYRRMOGG-GASCZTMLSA-N 0 3 301.390 2.104 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418127682 1167428370 /nfs/dbraw/zinc/42/83/70/1167428370.db2.gz RACIBWMQVCLVAO-HIFRSBDPSA-N 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/nfs/dbraw/zinc/25/14/01/1168251401.db2.gz BFXGUKWUEHIUPP-SWLSCSKDSA-N 0 3 305.809 2.233 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CC)C(=O)[C@H](CC)N(C)C)C1 ZINC001419164833 1168277143 /nfs/dbraw/zinc/27/71/43/1168277143.db2.gz YCIAWCAULJESTF-KGLIPLIRSA-N 0 3 301.862 2.002 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)C#N)NCc1ccccc1OC1CC1 ZINC001419181707 1168297957 /nfs/dbraw/zinc/29/79/57/1168297957.db2.gz QLLMJUXNXFFSLY-DZGCQCFKSA-N 0 3 315.417 2.372 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cn[nH]c2)CCCC[C@@H]1C ZINC001419363039 1168423643 /nfs/dbraw/zinc/42/36/43/1168423643.db2.gz FPWCOYJNKPEWEH-XHDPSFHLSA-N 0 3 310.829 2.431 20 30 DEEDHN CCc1nc(C)c(CNC2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001419671669 1168785353 /nfs/dbraw/zinc/78/53/53/1168785353.db2.gz MKFQJEDOQFAKMV-XGNXJENSSA-N 0 3 318.421 2.222 20 30 DEEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NCc1cc(F)cc(F)c1 ZINC001419728711 1168823689 /nfs/dbraw/zinc/82/36/89/1168823689.db2.gz WAKLJLUAFCCEMY-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C(C)C ZINC001419936475 1168961873 /nfs/dbraw/zinc/96/18/73/1168961873.db2.gz GAKOQAYUWIGLEE-ZDUSSCGKSA-N 0 3 310.829 2.384 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CCn1cccc1 ZINC001420641901 1169847949 /nfs/dbraw/zinc/84/79/49/1169847949.db2.gz RVHLXWQAJLGFLH-INIZCTEOSA-N 0 3 324.428 2.387 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccccc1Cl)C1CC1 ZINC001420719091 1171083368 /nfs/dbraw/zinc/08/33/68/1171083368.db2.gz QMSMXGLRPPRNDF-IAQYHMDHSA-N 0 3 305.809 2.484 20 30 DEEDHN CCC[C@H](OC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001420966388 1171386017 /nfs/dbraw/zinc/38/60/17/1171386017.db2.gz AINCYHKPFUBSQO-INIZCTEOSA-N 0 3 315.417 2.112 20 30 DEEDHN CC(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CCCC1 ZINC001421146039 1171529517 /nfs/dbraw/zinc/52/95/17/1171529517.db2.gz FSDJANLZWUTFQP-QGZVFWFLSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cccnn2)CCCC[C@H]1C ZINC001421582966 1171857233 /nfs/dbraw/zinc/85/72/33/1171857233.db2.gz ZQGAAZGCOSFTRA-WBMJQRKESA-N 0 3 322.840 2.497 20 30 DEEDHN CC[C@H](F)CNC[C@H](CC(C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC001422009319 1172228569 /nfs/dbraw/zinc/22/85/69/1172228569.db2.gz YJIMJAZTOJLFBX-JSGCOSHPSA-N 0 3 308.401 2.369 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ncnc2[nH]ccc21)C(C)C ZINC001422103260 1172305519 /nfs/dbraw/zinc/30/55/19/1172305519.db2.gz UZIHAMAWYJBQNF-LBPRGKRZSA-N 0 3 321.812 2.006 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnn(CC2CC2)c1)C(C)C ZINC001422121982 1172320336 /nfs/dbraw/zinc/32/03/36/1172320336.db2.gz YFCWPCFICPBHBM-OAHLLOKOSA-N 0 3 324.856 2.390 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccn(C(C)(C)C)n1 ZINC001422151838 1172350144 /nfs/dbraw/zinc/35/01/44/1172350144.db2.gz RDVQTXRLBANTFK-LBPRGKRZSA-N 0 3 312.845 2.489 20 30 DEEDHN CC(C)C[C@H]1CN(C)CCN1C[C@H](O)c1cccc(C#N)c1 ZINC001422291507 1172460069 /nfs/dbraw/zinc/46/00/69/1172460069.db2.gz JQLLLCPNRLDMQW-ROUUACIJSA-N 0 3 301.434 2.254 20 30 DEEDHN Cc1conc1C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001422389545 1172545457 /nfs/dbraw/zinc/54/54/57/1172545457.db2.gz BUWLAEXATIMTBX-WDEREUQCSA-N 0 3 318.402 2.213 20 30 DEEDHN COC[C@H](C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001422577497 1172723676 /nfs/dbraw/zinc/72/36/76/1172723676.db2.gz VHVHZSMDACBDFU-HUUCEWRRSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)CCCF ZINC001423329629 1173247482 /nfs/dbraw/zinc/24/74/82/1173247482.db2.gz MNWUZRCNRQSPHV-NWDGAFQWSA-N 0 3 309.410 2.448 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)Cn1ccnc1C)C1CCCC1 ZINC001423531390 1173390999 /nfs/dbraw/zinc/39/09/99/1173390999.db2.gz AQZNDGUPIQVJRP-HNNXBMFYSA-N 0 3 324.856 2.209 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001424727861 1173889104 /nfs/dbraw/zinc/88/91/04/1173889104.db2.gz OOIIEVVXOSJZMX-UHFFFAOYSA-N 0 3 322.840 2.139 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001424795377 1173937643 /nfs/dbraw/zinc/93/76/43/1173937643.db2.gz TVESMTVPURIANQ-CHWSQXEVSA-N 0 3 312.845 2.162 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)CCc1c[nH]cn1)C(C)(C)C ZINC001426154962 1174621435 /nfs/dbraw/zinc/62/14/35/1174621435.db2.gz TVUDGKONKVPFLH-ZDUSSCGKSA-N 0 3 312.845 2.215 20 30 DEEDHN CCOC(=O)C1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC001433920288 1178068590 /nfs/dbraw/zinc/06/85/90/1178068590.db2.gz LVZPFGZHOQVHKB-OAHLLOKOSA-N 0 3 314.385 2.218 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001437384920 1179775435 /nfs/dbraw/zinc/77/54/35/1179775435.db2.gz RYHTWBHKWPGRRW-CYBMUJFWSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC001437432829 1179804089 /nfs/dbraw/zinc/80/40/89/1179804089.db2.gz LQZDRGIGTFIEFN-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN COCC(C)(C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001438507122 1180511098 /nfs/dbraw/zinc/51/10/98/1180511098.db2.gz MGOISTBWRRDEAD-CQSZACIVSA-N 0 3 317.433 2.073 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC001580050654 1180870370 /nfs/dbraw/zinc/87/03/70/1180870370.db2.gz HXNCJSBGMFPRGG-BDAKNGLRSA-N 0 3 320.340 2.274 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1cscn1 ZINC001439099560 1180883147 /nfs/dbraw/zinc/88/31/47/1180883147.db2.gz DUSPWFGRZYGRLG-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001439206498 1180937460 /nfs/dbraw/zinc/93/74/60/1180937460.db2.gz PRRHBJCLFAQVHV-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](C)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001439592664 1181160627 /nfs/dbraw/zinc/16/06/27/1181160627.db2.gz FVBDGOATUCUPTI-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3ccc(F)cn3)CC2)c1 ZINC001439600064 1181164835 /nfs/dbraw/zinc/16/48/35/1181164835.db2.gz TWIYADBQPNRKDS-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN CO[C@@H](C)C(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001439798468 1181239769 /nfs/dbraw/zinc/23/97/69/1181239769.db2.gz SJQSGPPWSJTPBV-AWEZNQCLSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)COc2ccccc2)C1 ZINC001440323332 1181448360 /nfs/dbraw/zinc/44/83/60/1181448360.db2.gz RPQQTRNPAJZDJV-OKILXGFUSA-N 0 3 308.809 2.302 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001440759796 1181677773 /nfs/dbraw/zinc/67/77/73/1181677773.db2.gz LEZKXVDKRLRANY-GWMXKSKGSA-N 0 3 324.856 2.367 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ccnc1C(C)C ZINC001440840327 1181720748 /nfs/dbraw/zinc/72/07/48/1181720748.db2.gz DHGJACVLKRHPEV-QWHCGFSZSA-N 0 3 312.845 2.242 20 30 DEEDHN COc1cccc(CN(C)[C@H](C)CNC(=O)[C@H](C)C#N)c1C ZINC001440910678 1181761600 /nfs/dbraw/zinc/76/16/00/1181761600.db2.gz HYKAJPGYFGJFPV-CHWSQXEVSA-N 0 3 303.406 2.100 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](C)N(C)CCOc1ccccc1Cl ZINC001440919938 1181775237 /nfs/dbraw/zinc/77/52/37/1181775237.db2.gz XLFWBNMSNVBJEN-OLZOCXBDSA-N 0 3 323.824 2.315 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)COC)CCCCC1 ZINC001441110437 1181851612 /nfs/dbraw/zinc/85/16/12/1181851612.db2.gz SUBZACFYZQQKIN-LBPRGKRZSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001441472280 1182010022 /nfs/dbraw/zinc/01/00/22/1182010022.db2.gz NKRMOMCNVDJNMF-ZDUSSCGKSA-N 0 3 324.856 2.266 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001441547569 1182053019 /nfs/dbraw/zinc/05/30/19/1182053019.db2.gz IQPFXFVWLHISGT-MCIONIFRSA-N 0 3 302.846 2.427 20 30 DEEDHN C[C@@H](CNC(=O)c1cncs1)NCc1ccc(F)c(C#N)c1 ZINC001441784458 1182160333 /nfs/dbraw/zinc/16/03/33/1182160333.db2.gz FUCOUMDYZYQDST-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](CNC(=O)c1cc(F)c[nH]1)NCc1ccc(F)c(C#N)c1 ZINC001441937212 1182257703 /nfs/dbraw/zinc/25/77/03/1182257703.db2.gz TUTVALGUJVXVJB-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN COCc1ccc(CN(CCNC(=O)[C@H](C)C#N)C2CC2)cc1 ZINC001442996481 1182822947 /nfs/dbraw/zinc/82/29/47/1182822947.db2.gz RGSCMRXTRPLDIA-CQSZACIVSA-N 0 3 315.417 2.073 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001443322086 1182927658 /nfs/dbraw/zinc/92/76/58/1182927658.db2.gz UTZNKPGMKCFLHK-GXTWGEPZSA-N 0 3 306.385 2.028 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccnc(OC)c2)CCCC1 ZINC001444076606 1183279519 /nfs/dbraw/zinc/27/95/19/1183279519.db2.gz DUEXQXXZSLQDJE-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C[C@@H](CNCc1csc(C(C)(C)C)n1)CNC(=O)[C@@H](C)C#N ZINC001444314656 1183343870 /nfs/dbraw/zinc/34/38/70/1183343870.db2.gz ZPSBPXNLHJXWKW-RYUDHWBXSA-N 0 3 322.478 2.442 20 30 DEEDHN Cc1c(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)ccn1C ZINC001445610469 1183935308 /nfs/dbraw/zinc/93/53/08/1183935308.db2.gz WAPILIFNXAXFBU-NSHDSACASA-N 0 3 316.430 2.175 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)cc1Cl ZINC001445691129 1183983816 /nfs/dbraw/zinc/98/38/16/1183983816.db2.gz TUVMQYLWVWCJGA-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN Cc1ccc(CN(C)C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001445692686 1183986566 /nfs/dbraw/zinc/98/65/66/1183986566.db2.gz QIGSPUYUUNNUSI-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1(NCc2ccc(OCC#N)cc2)CC1 ZINC001446225007 1184274239 /nfs/dbraw/zinc/27/42/39/1184274239.db2.gz RNQQNFAOZYTRSV-OAHLLOKOSA-N 0 3 319.380 2.075 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H](C)n1ccc(C)n1 ZINC001447658288 1184838461 /nfs/dbraw/zinc/83/84/61/1184838461.db2.gz INCLQIOGMRPJPN-JSGCOSHPSA-N 0 3 312.845 2.380 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)c2ccco2)C1 ZINC001447794605 1184876153 /nfs/dbraw/zinc/87/61/53/1184876153.db2.gz UATIYDFEPIZMFJ-UHFFFAOYSA-N 0 3 313.195 2.286 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001448505684 1185262647 /nfs/dbraw/zinc/26/26/47/1185262647.db2.gz VLMSOYNYFMHHMI-XDQVBPFNSA-N 0 3 300.830 2.181 20 30 DEEDHN CC(C)OCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001448980685 1185470478 /nfs/dbraw/zinc/47/04/78/1185470478.db2.gz PPZQQYVHDOAYBR-DOMZBBRYSA-N 0 3 321.446 2.124 20 30 DEEDHN N#Cc1cc2c(nc1N1CCN(C3CCCC3)CC1)CCOC2 ZINC000580035555 721861612 /nfs/dbraw/zinc/86/16/12/721861612.db2.gz MWMPOYAZHPGNFL-UHFFFAOYSA-N 0 3 312.417 2.091 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)COC(C)(C)C ZINC001406345033 1164545405 /nfs/dbraw/zinc/54/54/05/1164545405.db2.gz GFNQYTWJJSMZAB-LLVKDONJSA-N 0 3 309.435 2.029 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCCn2ccnc2C)[C@@H]1C ZINC001332206082 1149834889 /nfs/dbraw/zinc/83/48/89/1149834889.db2.gz MUFQDSHTHVRRBJ-GOEBONIOSA-N 0 3 304.438 2.127 20 30 DEEDHN C#CCCCCCC(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099170597 782375179 /nfs/dbraw/zinc/37/51/79/782375179.db2.gz JCLCXFVRQVTXIG-MRXNPFEDSA-N 0 3 308.466 2.169 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001099199697 782521274 /nfs/dbraw/zinc/52/12/74/782521274.db2.gz OYBWIHITLRHKMC-RHSMWYFYSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](N[C@@H](CCCC)C(N)=O)C(C)(C)C1 ZINC001332405858 1149857269 /nfs/dbraw/zinc/85/72/69/1149857269.db2.gz ZHQPWZGUZHEDDA-KBPBESRZSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc2ccccc2s1 ZINC001332648674 1149876426 /nfs/dbraw/zinc/87/64/26/1149876426.db2.gz WHPXPUCMRAOXGO-CQSZACIVSA-N 0 3 318.442 2.452 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cnc2n1CCC2)C(C)C ZINC001332711626 1149882864 /nfs/dbraw/zinc/88/28/64/1149882864.db2.gz VIQPKNCWKAHMHS-UHFFFAOYSA-N 0 3 304.438 2.188 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC001332740642 1149887425 /nfs/dbraw/zinc/88/74/25/1149887425.db2.gz PBIDNPBQFJDLFB-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)nc2)CC(C)(C)C1 ZINC001089335474 782771925 /nfs/dbraw/zinc/77/19/25/782771925.db2.gz PDIBAQBMUXFQGZ-AWEZNQCLSA-N 0 3 303.381 2.074 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106563776 782782958 /nfs/dbraw/zinc/78/29/58/782782958.db2.gz KCTBRPRPGVCNLX-MGPQQGTHSA-N 0 3 322.478 2.325 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](CNCc2nccn2CC)[C@H](C)C1 ZINC001106606162 782809402 /nfs/dbraw/zinc/80/94/02/782809402.db2.gz CFAIIDSLHAAEFL-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C(F)(F)F ZINC001099252181 782894635 /nfs/dbraw/zinc/89/46/35/782894635.db2.gz HQUUSZYGABHNRT-RKDXNWHRSA-N 0 3 312.282 2.197 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2csnc2C)CC(C)(C)C1 ZINC001089365212 783035447 /nfs/dbraw/zinc/03/54/47/783035447.db2.gz MMHBYKJBXCFCKA-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC2(F)F)[C@H](OC)C1 ZINC001212220605 783044605 /nfs/dbraw/zinc/04/46/05/783044605.db2.gz GLXUYHCENXQYOT-MGPQQGTHSA-N 0 3 318.408 2.427 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC(=O)NCC ZINC001099315883 783048052 /nfs/dbraw/zinc/04/80/52/783048052.db2.gz JBJNNZIZSVZEKH-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)nn2)CC(C)(C)C1 ZINC001089383652 783061380 /nfs/dbraw/zinc/06/13/80/783061380.db2.gz HKOXYPKRNRWYCT-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001333432212 1150049480 /nfs/dbraw/zinc/04/94/80/1150049480.db2.gz MBRCQPLBCPVEHS-DLBZAZTESA-N 0 3 306.450 2.229 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)CC(C)(C)C1 ZINC001089408612 783076856 /nfs/dbraw/zinc/07/68/56/783076856.db2.gz JLUPETFOIJEKAE-CQSZACIVSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccncc2CC)CC(C)(C)C1 ZINC001089426175 783094536 /nfs/dbraw/zinc/09/45/36/783094536.db2.gz HMHCZNQDLQMLBZ-MRXNPFEDSA-N 0 3 313.445 2.498 20 30 DEEDHN CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233476 783097904 /nfs/dbraw/zinc/09/79/04/783097904.db2.gz AQAUMFWGIDGXCZ-QZTJIDSGSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OCC)nc2)C[C@H]1C ZINC000947365300 783118124 /nfs/dbraw/zinc/11/81/24/783118124.db2.gz LMDSHIPGASYLAV-GDBMZVCRSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c2OCCO3)C[C@H]1C ZINC000947364931 783118327 /nfs/dbraw/zinc/11/83/27/783118327.db2.gz FJWUVPHLYILZRR-ZIAGYGMSSA-N 0 3 316.401 2.227 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2scnc2CC)C[C@H]1C ZINC000947373818 783120762 /nfs/dbraw/zinc/12/07/62/783120762.db2.gz IDEYVDYMUHMNGJ-CHWSQXEVSA-N 0 3 305.447 2.312 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000947436444 783135183 /nfs/dbraw/zinc/13/51/83/783135183.db2.gz IYTPYTZNKKTZOC-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(COC)o2)C[C@@H]1C ZINC000947526899 783162486 /nfs/dbraw/zinc/16/24/86/783162486.db2.gz AVKLYLCRQVGEAN-UONOGXRCSA-N 0 3 304.390 2.032 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nncc3ccccc32)C[C@@H]1C ZINC000947536022 783164258 /nfs/dbraw/zinc/16/42/58/783164258.db2.gz CHEJTGWACKPPPN-DZGCQCFKSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3n[nH]cc32)C[C@H]1C ZINC000947601486 783185836 /nfs/dbraw/zinc/18/58/36/783185836.db2.gz DIKADUJOLACSTA-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C[C@@H]1C ZINC000947735614 783216590 /nfs/dbraw/zinc/21/65/90/783216590.db2.gz NHYDQLSQITUQPI-KBPBESRZSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000947751526 783222226 /nfs/dbraw/zinc/22/22/26/783222226.db2.gz YVLNSNLXVBVEOI-AAEUAGOBSA-N 0 3 324.346 2.249 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(F)c2F)C[C@@H]1C ZINC000947753173 783224010 /nfs/dbraw/zinc/22/40/10/783224010.db2.gz BVIRVMVEZBDMRB-GXTWGEPZSA-N 0 3 306.356 2.110 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001212337234 783467946 /nfs/dbraw/zinc/46/79/46/783467946.db2.gz DECJMZMSLKBJRE-RAIGVLPGSA-N 0 3 320.836 2.329 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)C[C@H]1C ZINC000947784003 783230295 /nfs/dbraw/zinc/23/02/95/783230295.db2.gz QXEQTKCBLVHEDV-DGCLKSJQSA-N 0 3 322.478 2.286 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)C[C@H]1C ZINC000947784007 783231237 /nfs/dbraw/zinc/23/12/37/783231237.db2.gz QXEQTKCBLVHEDV-YPMHNXCESA-N 0 3 322.478 2.286 20 30 DEEDHN N#CCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000488344431 790352157 /nfs/dbraw/zinc/35/21/57/790352157.db2.gz 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C=CC(C)(C)C(=O)N1CCC(C)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001073182706 790504047 /nfs/dbraw/zinc/50/40/47/790504047.db2.gz BGVZYBLPIJRIMQ-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001167591684 777364206 /nfs/dbraw/zinc/36/42/06/777364206.db2.gz LCSIOVJHWQJFMC-CMPLNLGQSA-N 0 3 303.244 2.427 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#C)C1 ZINC001211580290 777478921 /nfs/dbraw/zinc/47/89/21/777478921.db2.gz IPWJWAMBXUROPE-RBUKOAKNSA-N 0 3 308.425 2.397 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CC=CC1)C[C@H](C)O2 ZINC001098578620 777565640 /nfs/dbraw/zinc/56/56/40/777565640.db2.gz ZQFCAOQLCWXBIJ-HNNXBMFYSA-N 0 3 304.434 2.221 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CCOCC3)C(C)(C)[C@H]21 ZINC001087276791 777694851 /nfs/dbraw/zinc/69/48/51/777694851.db2.gz DONBLZSOFYGBMP-NXHRZFHOSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccoc3)C(C)(C)[C@H]21 ZINC001087283237 777719925 /nfs/dbraw/zinc/71/99/25/777719925.db2.gz MDXXNTOLDXFYMA-OIISXLGYSA-N 0 3 300.402 2.061 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3onc(C)c3C)C(C)(C)[C@H]21 ZINC001087292408 777739190 /nfs/dbraw/zinc/73/91/90/777739190.db2.gz KYLMTBNNRMZVIQ-BMFZPTHFSA-N 0 3 315.417 2.143 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccn(C)c1C ZINC001087302784 777753896 /nfs/dbraw/zinc/75/38/96/777753896.db2.gz ACGCALSKEVBRBV-IXDOHACOSA-N 0 3 313.445 2.186 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1conc1C ZINC001087303559 777755892 /nfs/dbraw/zinc/75/58/92/777755892.db2.gz OEACAZBMUVTQAG-VNQPRFMTSA-N 0 3 315.417 2.225 20 30 DEEDHN N#CCc1ccc(-n2nc(CN)c3ccccc32)cc1[N+](=O)[O-] ZINC001167697600 777888517 /nfs/dbraw/zinc/88/85/17/777888517.db2.gz AIOGQDNLWYGPKA-UHFFFAOYSA-N 0 3 307.313 2.458 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2cnn(CC)c2)CC1 ZINC001167705234 777912673 /nfs/dbraw/zinc/91/26/73/777912673.db2.gz HUWVROWKQATPPT-UHFFFAOYSA-N 0 3 324.856 2.074 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001112048779 778174317 /nfs/dbraw/zinc/17/43/17/778174317.db2.gz JQECXJHJCUDOEW-YNEHKIRRSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)/C=C(\C)CC)C2)nn1 ZINC001105235435 778394793 /nfs/dbraw/zinc/39/47/93/778394793.db2.gz FQBMXWXIZFCYOS-NTEUORMPSA-N 0 3 317.437 2.074 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC(n2cc(CNCCCCC)nn2)C1 ZINC001105297096 778430281 /nfs/dbraw/zinc/43/02/81/778430281.db2.gz HBNYHCOLXRODLV-UHFFFAOYSA-N 0 3 319.453 2.153 20 30 DEEDHN N#Cc1cc(C(=O)NCCNCc2cccc(Cl)c2)c[nH]1 ZINC001125987876 778482207 /nfs/dbraw/zinc/48/22/07/778482207.db2.gz FZYSHRPRNAUTPA-UHFFFAOYSA-N 0 3 302.765 2.059 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)Oc3ccccc3)C2)C1 ZINC001073401233 790636669 /nfs/dbraw/zinc/63/66/69/790636669.db2.gz GSDDSQCSYRUDJG-HNNXBMFYSA-N 0 3 300.402 2.174 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001100884302 778640119 /nfs/dbraw/zinc/64/01/19/778640119.db2.gz RXBBYFNWEBMFKB-OPFPJEHXSA-N 0 3 307.825 2.422 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)(F)F)C[C@H](C)O2 ZINC001098634357 778672848 /nfs/dbraw/zinc/67/28/48/778672848.db2.gz RKRCSEHTEDBVOC-ZDUSSCGKSA-N 0 3 316.392 2.300 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4c(c3)CCC4)C2)C1 ZINC001073418147 790645306 /nfs/dbraw/zinc/64/53/06/790645306.db2.gz PEZZGOQBWBEJEL-UHFFFAOYSA-N 0 3 308.425 2.347 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1 ZINC000981874191 778724286 /nfs/dbraw/zinc/72/42/86/778724286.db2.gz ZTFKVODUBVZPNY-UHFFFAOYSA-N 0 3 318.465 2.442 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(Cl)cn3CC)C2)C1 ZINC001073435276 790655032 /nfs/dbraw/zinc/65/50/32/790655032.db2.gz HONQBHXRXFEBMC-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 ZINC001211762020 778846001 /nfs/dbraw/zinc/84/60/01/778846001.db2.gz VIFNSZNJZLREIT-IAGOWNOFSA-N 0 3 317.433 2.257 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCF)CC1 ZINC001105393556 779304076 /nfs/dbraw/zinc/30/40/76/779304076.db2.gz ASSQYAOWFRBKIQ-QGZVFWFLSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCF)CC1 ZINC001105393555 779304284 /nfs/dbraw/zinc/30/42/84/779304284.db2.gz ASSQYAOWFRBKIQ-KRWDZBQOSA-N 0 3 306.425 2.462 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C3CCC3)cnn2C)[C@H]1CC ZINC001087579031 779362634 /nfs/dbraw/zinc/36/26/34/779362634.db2.gz DCBKIOXHELKDRT-JKSUJKDBSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1CC ZINC001087586587 779370516 /nfs/dbraw/zinc/37/05/16/779370516.db2.gz RHKNZQSEBWFSBO-WCQYABFASA-N 0 3 312.364 2.437 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(C3CC3)no2)[C@H]1CC ZINC001087599475 779373110 /nfs/dbraw/zinc/37/31/10/779373110.db2.gz FFNVUYOPJCPKKA-GOEBONIOSA-N 0 3 303.406 2.250 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@H]1CC ZINC001087640195 779393540 /nfs/dbraw/zinc/39/35/40/779393540.db2.gz OUHVIAYALLLBTO-DLBZAZTESA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C(F)(F)F ZINC001112167704 779451049 /nfs/dbraw/zinc/45/10/49/779451049.db2.gz AASKMTUBGPRQQX-VXGBXAGGSA-N 0 3 320.330 2.128 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@H]1CC ZINC001087801465 779457512 /nfs/dbraw/zinc/45/75/12/779457512.db2.gz PWNXACQQPHGFHP-ZWKOTPCHSA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c[nH]c4ccccc34)C[C@@H]2C1 ZINC001088030473 779646133 /nfs/dbraw/zinc/64/61/33/779646133.db2.gz ROQLSDJOXAYNMP-CABCVRRESA-N 0 3 307.397 2.195 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(C)oc(C)c3C)C[C@@H]2C1 ZINC001088033388 779646179 /nfs/dbraw/zinc/64/61/79/779646179.db2.gz HMUCAZZFOLJLLQ-CVEARBPZSA-N 0 3 300.402 2.232 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001088067376 779667344 /nfs/dbraw/zinc/66/73/44/779667344.db2.gz DTARGBXYUUNERJ-DQEVTTJGSA-N 0 3 323.440 2.495 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(OCC)cc3)C[C@@H]2C1 ZINC001088187820 779764970 /nfs/dbraw/zinc/76/49/70/779764970.db2.gz RPPAGSQPOXWTOH-SJORKVTESA-N 0 3 312.413 2.112 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)n3c(C)ccc3C)C[C@@H]2C1 ZINC001088211855 779774107 /nfs/dbraw/zinc/77/41/07/779774107.db2.gz CSFHNGJOQQJWIR-KURKYZTESA-N 0 3 313.445 2.079 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NCc2ccns2)C1 ZINC001088281193 779902456 /nfs/dbraw/zinc/90/24/56/779902456.db2.gz IZZJPEAIUKBHCA-QWHCGFSZSA-N 0 3 306.435 2.164 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001073618020 790745285 /nfs/dbraw/zinc/74/52/85/790745285.db2.gz RRUJGPMGWPVDJM-ZWKOTPCHSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC001088292615 779915619 /nfs/dbraw/zinc/91/56/19/779915619.db2.gz BVAJWYUZHLIQDY-AWEZNQCLSA-N 0 3 324.856 2.374 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC000985568772 779919304 /nfs/dbraw/zinc/91/93/04/779919304.db2.gz NBWDQSVIQSYMEO-UHFFFAOYSA-N 0 3 318.465 2.445 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1CN(CC(=C)C)CCCO1 ZINC001073637307 790759768 /nfs/dbraw/zinc/75/97/68/790759768.db2.gz VVJVEKLKYGNIHS-INIZCTEOSA-N 0 3 317.433 2.071 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001073654391 790769558 /nfs/dbraw/zinc/76/95/58/790769558.db2.gz DWSGTENNYGHWIX-ZWKOTPCHSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001059790204 780390411 /nfs/dbraw/zinc/39/04/11/780390411.db2.gz MBJAMXHXJYUMFA-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001059790288 780390492 /nfs/dbraw/zinc/39/04/92/780390492.db2.gz OXPBEXFBLUMHMF-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2oc(CC3CC3)nc2C)[C@H]1C ZINC001088570618 780493489 /nfs/dbraw/zinc/49/34/89/780493489.db2.gz GJYDVWBIDLMBID-HIFRSBDPSA-N 0 3 315.417 2.151 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cn(-c3ccccc3)cn2)[C@H]1C ZINC001088582577 780540004 /nfs/dbraw/zinc/54/00/04/780540004.db2.gz WXVYWFPKMLZAEZ-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(OC)cc2C)[C@H]1C ZINC001088590931 780556820 /nfs/dbraw/zinc/55/68/20/780556820.db2.gz DGBGMEAUTGFWAP-PBHICJAKSA-N 0 3 302.418 2.311 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001073709776 790807605 /nfs/dbraw/zinc/80/76/05/790807605.db2.gz HPUIIRVZTMFFLI-XWTMOSNGSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2=COCCC2)[C@H](OC)C1 ZINC001211997359 780578133 /nfs/dbraw/zinc/57/81/33/780578133.db2.gz RPEAHTXMASLPEL-IAGOWNOFSA-N 0 3 322.449 2.243 20 30 DEEDHN CC/C(C)=C/C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001126753274 780596649 /nfs/dbraw/zinc/59/66/49/780596649.db2.gz XOJARZPFEDRJQN-UKTHLTGXSA-N 0 3 301.390 2.129 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)[C@H]1C ZINC001088683856 780709677 /nfs/dbraw/zinc/70/96/77/780709677.db2.gz OJFCKEXQTDHZKF-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001073738887 790832993 /nfs/dbraw/zinc/83/29/93/790832993.db2.gz GDBPSMAICLGHEH-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001091027219 790838830 /nfs/dbraw/zinc/83/88/30/790838830.db2.gz AHIXZYHOUBEDCM-BPCQOVAHSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@@H](O)C1 ZINC001083544637 781180865 /nfs/dbraw/zinc/18/08/65/781180865.db2.gz GVOYZELZHNHQRK-CVEARBPZSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2C1 ZINC001076364777 781234478 /nfs/dbraw/zinc/23/44/78/781234478.db2.gz RJMFLOUMWZYFAY-JLJPHGGASA-N 0 3 312.413 2.342 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC001076609807 781325715 /nfs/dbraw/zinc/32/57/15/781325715.db2.gz RKOJXTCMIVDWEC-WMLDXEAASA-N 0 3 317.408 2.224 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc43)[C@@H]2C1 ZINC001076635681 781332052 /nfs/dbraw/zinc/33/20/52/781332052.db2.gz ZZCJDFDKJQOPKN-USXIJHARSA-N 0 3 312.413 2.271 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076951195 781435961 /nfs/dbraw/zinc/43/59/61/781435961.db2.gz YNOTXOHLFTUABG-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCNC/C=C/Cl)cc1 ZINC001127020144 781635880 /nfs/dbraw/zinc/63/58/80/781635880.db2.gz OUFGWCPMFMTIJI-RUDMXATFSA-N 0 3 306.793 2.161 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)cc(Cl)c2)[C@@H](O)C1 ZINC001083643673 781686591 /nfs/dbraw/zinc/68/65/91/781686591.db2.gz UPXLHZPRDYOOQP-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001091094734 790906448 /nfs/dbraw/zinc/90/64/48/790906448.db2.gz JGFUYUYJQOSPCZ-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN Cc1cccc([C@H](C)NCc2cc(=O)n3ncc(C#N)c3[nH]2)c1 ZINC001168384505 781769950 /nfs/dbraw/zinc/76/99/50/781769950.db2.gz ZJVNSISOMAUMQB-LBPRGKRZSA-N 0 3 307.357 2.466 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccoc2CCC)C1 ZINC001073856475 790916143 /nfs/dbraw/zinc/91/61/43/790916143.db2.gz GOLSDERWMHHGCU-OAHLLOKOSA-N 0 3 318.417 2.076 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2ccoc2)[C@H](OC)C1 ZINC001212156553 781775408 /nfs/dbraw/zinc/77/54/08/781775408.db2.gz RTUQEHYIIYHVEK-IAGOWNOFSA-N 0 3 320.433 2.384 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccn3cncc3c2)C1 ZINC001091122991 790921406 /nfs/dbraw/zinc/92/14/06/790921406.db2.gz VAMUPCFYWOLRGC-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2csc(Cl)n2)C[C@@H]1C ZINC000947895558 783261636 /nfs/dbraw/zinc/26/16/36/783261636.db2.gz OIKVATKDVMRLDS-WDEREUQCSA-N 0 3 311.838 2.403 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)C[C@H]1C ZINC000947899475 783264179 /nfs/dbraw/zinc/26/41/79/783264179.db2.gz JWZRONFYFUBPKU-KGLIPLIRSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C[C@H]1C ZINC000947941260 783274228 /nfs/dbraw/zinc/27/42/28/783274228.db2.gz ZWLXWEKFNSJYIC-GDBMZVCRSA-N 0 3 301.434 2.429 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000947967405 783279826 /nfs/dbraw/zinc/27/98/26/783279826.db2.gz ONBSQIWJOJHGRJ-ZBFHGGJFSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001089682847 783349212 /nfs/dbraw/zinc/34/92/12/783349212.db2.gz JXRAHVALEMJEBI-NSHDSACASA-N 0 3 309.435 2.255 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCOCC2)CC1 ZINC000948329468 783429139 /nfs/dbraw/zinc/42/91/39/783429139.db2.gz FGORNJSODLLSTC-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccon1 ZINC001089779172 783429538 /nfs/dbraw/zinc/42/95/38/783429538.db2.gz PVLZSHJTDNTYDM-XFMPKHEZSA-N 0 3 321.808 2.210 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnn(C3CCC3)c2)CC1 ZINC000948374278 783444277 /nfs/dbraw/zinc/44/42/77/783444277.db2.gz UGJVMXXYRTVXPD-MRXNPFEDSA-N 0 3 314.433 2.168 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cnc3ccccn23)CC1 ZINC000948568016 783505119 /nfs/dbraw/zinc/50/51/19/783505119.db2.gz ZXYUJBYMKKQGDT-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000948578460 783510102 /nfs/dbraw/zinc/51/01/02/783510102.db2.gz 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783676229 /nfs/dbraw/zinc/67/62/29/783676229.db2.gz QNSJKRPVHOXCSQ-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn(CC(C)C)n1 ZINC001085622627 783896119 /nfs/dbraw/zinc/89/61/19/783896119.db2.gz ACKOTGIAHKFNLF-OAHLLOKOSA-N 0 3 304.438 2.262 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncc(OC)cc1F ZINC001085633679 783914316 /nfs/dbraw/zinc/91/43/16/783914316.db2.gz XWJPASAFVRZXET-CYBMUJFWSA-N 0 3 321.396 2.342 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287827 783933895 /nfs/dbraw/zinc/93/38/95/783933895.db2.gz IVFIEXDPAZMZSB-ZFWWWQNUSA-N 0 3 306.406 2.442 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967291715 783937915 /nfs/dbraw/zinc/93/79/15/783937915.db2.gz NUBWCDZJPRAQAG-OCCSQVGLSA-N 0 3 321.371 2.483 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc3nccn32)C1 ZINC000967358588 783964453 /nfs/dbraw/zinc/96/44/53/783964453.db2.gz SMHUNSHKZLJJEY-GJZGRUSLSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC000967377502 783970685 /nfs/dbraw/zinc/97/06/85/783970685.db2.gz KEHZCRCYYUVELL-RDTXWAMCSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC000967401725 783980702 /nfs/dbraw/zinc/98/07/02/783980702.db2.gz GMKNRTKPBCOMGF-QWHCGFSZSA-N 0 3 307.394 2.090 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001085736207 784019145 /nfs/dbraw/zinc/01/91/45/784019145.db2.gz CPZXCIHVVOACGS-BBWFWOEESA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@@H]2CCN2CCC=C)cc1 ZINC001085857794 784144746 /nfs/dbraw/zinc/14/47/46/784144746.db2.gz HSPUXEMVCZGEDS-KRWDZBQOSA-N 0 3 312.413 2.421 20 30 DEEDHN C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2C[C@@H](C)CC)nn1 ZINC001085864105 784151460 /nfs/dbraw/zinc/15/14/60/784151460.db2.gz RCPWLMJOGCKJDW-LSDHHAIUSA-N 0 3 319.453 2.047 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967993462 784197104 /nfs/dbraw/zinc/19/71/04/784197104.db2.gz 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C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001086149755 784442957 /nfs/dbraw/zinc/44/29/57/784442957.db2.gz ZSDOFDQRLVSDMS-VDISTLRHSA-N 0 3 323.824 2.200 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC000968524929 784445801 /nfs/dbraw/zinc/44/58/01/784445801.db2.gz JKODQKHPYRCHIN-RHSMWYFYSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001086177729 784467537 /nfs/dbraw/zinc/46/75/37/784467537.db2.gz GCXWFJDJXDNTFI-CFVMTHIKSA-N 0 3 319.836 2.348 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC001086185907 784471466 /nfs/dbraw/zinc/47/14/66/784471466.db2.gz XNJNAMYTXPCSDU-KLPPZKSPSA-N 0 3 320.780 2.073 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001086194781 784481291 /nfs/dbraw/zinc/48/12/91/784481291.db2.gz QBSGHNJUADOCGR-DTORHVGOSA-N 0 3 318.755 2.198 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000968601374 784493601 /nfs/dbraw/zinc/49/36/01/784493601.db2.gz CKMIBWZKYOSZSB-PBHICJAKSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000968605683 784495951 /nfs/dbraw/zinc/49/59/51/784495951.db2.gz CBNDDWHYGFZKBD-LRDDRELGSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001086243400 784516843 /nfs/dbraw/zinc/51/68/43/784516843.db2.gz HNEWEJTZULZBHV-KLPPZKSPSA-N 0 3 308.813 2.138 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC000968791295 784593349 /nfs/dbraw/zinc/59/33/49/784593349.db2.gz MTUKXPZDLCYRQY-OAHLLOKOSA-N 0 3 303.406 2.289 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001086351771 784612938 /nfs/dbraw/zinc/61/29/38/784612938.db2.gz UVIHGSZEXMDCNP-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001086370590 784626868 /nfs/dbraw/zinc/62/68/68/784626868.db2.gz OQHPYIRINDIGTQ-QCEMKRCNSA-N 0 3 319.836 2.422 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000968882567 784636753 /nfs/dbraw/zinc/63/67/53/784636753.db2.gz QHLQRXUFAQXLRU-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](NCc2cccnc2C)C1 ZINC000968924691 784654658 /nfs/dbraw/zinc/65/46/58/784654658.db2.gz UVKZSHPGGQAQKZ-QGZVFWFLSA-N 0 3 324.428 2.382 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001086398461 784662099 /nfs/dbraw/zinc/66/20/99/784662099.db2.gz JGFUYUYJQOSPCZ-AULYBMBSSA-N 0 3 318.808 2.413 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC000968962917 784671362 /nfs/dbraw/zinc/67/13/62/784671362.db2.gz SNSBLOSYUUQTJW-BBWFWOEESA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)CCC)[C@@H](C)C1 ZINC001074092220 791048444 /nfs/dbraw/zinc/04/84/44/791048444.db2.gz AKTMDUHNYUBDTI-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC000969079647 784715360 /nfs/dbraw/zinc/71/53/60/784715360.db2.gz RZOVFVBTYBSSRW-MRXNPFEDSA-N 0 3 324.428 2.332 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc3c2OCC3)C1 ZINC001091248234 791058213 /nfs/dbraw/zinc/05/82/13/791058213.db2.gz MIUIRQKFUOSASH-UHFFFAOYSA-N 0 3 320.820 2.472 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001007337494 784893786 /nfs/dbraw/zinc/89/37/86/784893786.db2.gz MNKAEIXZMCPRLU-HNNXBMFYSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](O)C1 ZINC001100125172 784910282 /nfs/dbraw/zinc/91/02/82/784910282.db2.gz UFIAANYGKQXOQC-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001007402913 784911333 /nfs/dbraw/zinc/91/13/33/784911333.db2.gz ZWMYPTIDGGVPQK-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001007408539 784912461 /nfs/dbraw/zinc/91/24/61/784912461.db2.gz WXRHKSSTQZZWBB-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)nc2)CN1C(=O)OC(C)(C)C ZINC001168835606 784934064 /nfs/dbraw/zinc/93/40/64/784934064.db2.gz UJWGMAFZRWDVBM-WFASDCNBSA-N 0 3 316.405 2.441 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001007496710 784936100 /nfs/dbraw/zinc/93/61/00/784936100.db2.gz SKDFIPCAQMEIMP-HNNXBMFYSA-N 0 3 323.396 2.158 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001007501293 784937191 /nfs/dbraw/zinc/93/71/91/784937191.db2.gz XJFMUQFROVQAHN-JTQLQIEISA-N 0 3 316.327 2.199 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn(C)nc2C(F)F)C1 ZINC001007515919 784941965 /nfs/dbraw/zinc/94/19/65/784941965.db2.gz WJXPBDOBSZRKPA-LLVKDONJSA-N 0 3 312.364 2.128 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001007634924 784966449 /nfs/dbraw/zinc/96/64/49/784966449.db2.gz GKUINRRUHHSFGV-SFHVURJKSA-N 0 3 321.424 2.381 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2coc(C3CC3)n2)C1 ZINC001091268817 791069547 /nfs/dbraw/zinc/06/95/47/791069547.db2.gz TZEJBPUHESVNPZ-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001091304723 791088533 /nfs/dbraw/zinc/08/85/33/791088533.db2.gz LDSLZSZMSCQILI-UHFFFAOYSA-N 0 3 323.824 2.478 20 30 DEEDHN CC(=O)N1CC[C@@H](N2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001169557359 785239760 /nfs/dbraw/zinc/23/97/60/785239760.db2.gz YOIMHVQZQYOGDY-MRXNPFEDSA-N 0 3 313.401 2.022 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001008873222 785321480 /nfs/dbraw/zinc/32/14/80/785321480.db2.gz AJKIHTLGCJCQJR-WBVHZDCISA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001009065281 785376035 /nfs/dbraw/zinc/37/60/35/785376035.db2.gz JSLHKJDVLLOWBS-KRWDZBQOSA-N 0 3 322.412 2.294 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)SC)C2 ZINC001109167982 785730253 /nfs/dbraw/zinc/73/02/53/785730253.db2.gz MUHZGGPKJIONHI-KBXIAJHMSA-N 0 3 312.479 2.052 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC=C ZINC001109171217 785732462 /nfs/dbraw/zinc/73/24/62/785732462.db2.gz IQTXNCHEYZZNBU-IKGGRYGDSA-N 0 3 304.434 2.104 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001109209172 785756921 /nfs/dbraw/zinc/75/69/21/785756921.db2.gz LYMBBFQSUKFRSC-NCOADZHNSA-N 0 3 304.434 2.081 20 30 DEEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)COC)CC1 ZINC001109681932 785985700 /nfs/dbraw/zinc/98/57/00/785985700.db2.gz MTUHNNUXWBKKCZ-FZKCQIBNSA-N 0 3 306.450 2.489 20 30 DEEDHN COCC(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115368095 786135281 /nfs/dbraw/zinc/13/52/81/786135281.db2.gz DZKMUAKUXFGIIL-UHFFFAOYSA-N 0 3 314.429 2.093 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCc3cn[nH]c32)CC1 ZINC001112855323 786256343 /nfs/dbraw/zinc/25/63/43/786256343.db2.gz RJFMPKNZJMQOIC-GDBMZVCRSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CCCc3nccn32)CC1 ZINC001112965251 786332907 /nfs/dbraw/zinc/33/29/07/786332907.db2.gz GRAUPLBHCFDBAO-JKSUJKDBSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCCn3nccc32)CC1 ZINC001113030129 786376356 /nfs/dbraw/zinc/37/63/56/786376356.db2.gz LYZVTVZNFDOTKG-JKSUJKDBSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2c(C)cc(=O)oc2C)CC1 ZINC001113082892 786396484 /nfs/dbraw/zinc/39/64/84/786396484.db2.gz NUBBGKVZSNRUMU-CQSZACIVSA-N 0 3 318.417 2.369 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001113417727 786582200 /nfs/dbraw/zinc/58/22/00/786582200.db2.gz RTVANXHDYLUIPZ-CABCVRRESA-N 0 3 304.438 2.087 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001014592771 786651623 /nfs/dbraw/zinc/65/16/23/786651623.db2.gz DUWRRNRAHVKPFV-CQSZACIVSA-N 0 3 307.463 2.190 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001014606046 786657285 /nfs/dbraw/zinc/65/72/85/786657285.db2.gz FQNWCBZMMNLPBA-CQSZACIVSA-N 0 3 307.463 2.190 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001113679563 786756824 /nfs/dbraw/zinc/75/68/24/786756824.db2.gz YZHRYGFFMJXXEN-MRXNPFEDSA-N 0 3 304.438 2.081 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)c1 ZINC001086608508 786858225 /nfs/dbraw/zinc/85/82/25/786858225.db2.gz LUEVWHUADSUUAU-RBUKOAKNSA-N 0 3 319.408 2.281 20 30 DEEDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nc(-c2ccccc2)ccc1C#N ZINC001170337136 786913809 /nfs/dbraw/zinc/91/38/09/786913809.db2.gz LUTWNFZCSMGKLQ-UHFFFAOYSA-N 0 3 319.368 2.321 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001015209211 786937938 /nfs/dbraw/zinc/93/79/38/786937938.db2.gz RWSHWWVZNYBNNX-ZFWWWQNUSA-N 0 3 318.392 2.458 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015274053 786970766 /nfs/dbraw/zinc/97/07/66/786970766.db2.gz KXIVQKBAKWHWTM-QWHCGFSZSA-N 0 3 306.356 2.282 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001015297986 786989662 /nfs/dbraw/zinc/98/96/62/786989662.db2.gz BFBNVCSZXDTUIF-SNVBAGLBSA-N 0 3 316.327 2.117 20 30 DEEDHN C/C(=C\C(=O)NC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12)C1CC1 ZINC001113955883 787013136 /nfs/dbraw/zinc/01/31/36/787013136.db2.gz AWYBAWQYQXXQRC-HPNJYGFKSA-N 0 3 321.424 2.461 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ccncc2OC(C)C)C1 ZINC001015376009 787021468 /nfs/dbraw/zinc/02/14/68/787021468.db2.gz HHKCZLTYCNJREZ-AWEZNQCLSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CCCCN[C@@H](C)c1nnc(C)[nH]1 ZINC001170425367 787022576 /nfs/dbraw/zinc/02/25/76/787022576.db2.gz MGKOFWNVNGITTP-KBPBESRZSA-N 0 3 319.453 2.242 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001086611530 787036463 /nfs/dbraw/zinc/03/64/63/787036463.db2.gz AMOJBNCWTCSUHW-OKZBNKHCSA-N 0 3 308.425 2.394 20 30 DEEDHN CC/C(C)=C\C(=O)NC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001114242142 787171932 /nfs/dbraw/zinc/17/19/32/787171932.db2.gz ILGZXARKXISGSW-IJAOYIRXSA-N 0 3 309.413 2.461 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001114254092 787185802 /nfs/dbraw/zinc/18/58/02/787185802.db2.gz ZMQKCDWDRVCTFP-YRWFTTLQSA-N 0 3 320.392 2.393 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129396398 787206145 /nfs/dbraw/zinc/20/61/45/787206145.db2.gz BENMFZUXFFGKAD-ZNMIVQPWSA-N 0 3 319.453 2.020 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC)CCCC)C[C@@H]1n1ccnn1 ZINC001129603581 787228567 /nfs/dbraw/zinc/22/85/67/787228567.db2.gz BYPOUVVQJVVGSC-XHSDSOJGSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)/C=C(/C)CC)C1 ZINC001130383230 787370727 /nfs/dbraw/zinc/37/07/27/787370727.db2.gz ANOWDQKPMHUUDR-XXYUJHKVSA-N 0 3 302.422 2.358 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)ccc1F ZINC001130511837 787414897 /nfs/dbraw/zinc/41/48/97/787414897.db2.gz HWBCGHVAFVMVRA-NUEKZKHPSA-N 0 3 315.392 2.339 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@@H](C)F)c1 ZINC001095988218 787436945 /nfs/dbraw/zinc/43/69/45/787436945.db2.gz ZTYIDRLDYPTHDN-VZEFYGNVSA-N 0 3 315.392 2.146 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCCCC)C[C@H]1c1cn(C)cn1 ZINC001130723539 787466020 /nfs/dbraw/zinc/46/60/20/787466020.db2.gz PLGUPJVGGFNTPA-DOTOQJQBSA-N 0 3 318.465 2.461 20 30 DEEDHN C=CCCC(=O)Nc1ccn(C[C@@H]2C[C@@H](OC)CN2CC=C)n1 ZINC001130877941 787494823 /nfs/dbraw/zinc/49/48/23/787494823.db2.gz OSDBSHRZKOSDMF-LSDHHAIUSA-N 0 3 318.421 2.063 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001086662122 787576547 /nfs/dbraw/zinc/57/65/47/787576547.db2.gz AOGUYFIAJJQVLK-QWHCGFSZSA-N 0 3 310.829 2.267 20 30 DEEDHN Cc1cncc(C)c1C(=O)NCCNCc1ccc(C#N)s1 ZINC001131295982 787585527 /nfs/dbraw/zinc/58/55/27/787585527.db2.gz GJDJKPBLEFSOPJ-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001086670271 787639620 /nfs/dbraw/zinc/63/96/20/787639620.db2.gz UXRAOINADKOFFT-WCQYABFASA-N 0 3 309.797 2.028 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCCC1CC1)C[C@@H](C)O2 ZINC001131672952 787677844 /nfs/dbraw/zinc/67/78/44/787677844.db2.gz CWBOPFPIHXGRKZ-APWZRJJASA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(CCC)CC1)C[C@H](C)O2 ZINC001131682175 787681992 /nfs/dbraw/zinc/68/19/92/787681992.db2.gz MBXZTCWUBCVAMM-QFBILLFUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC=C)C1 ZINC001131937874 787822520 /nfs/dbraw/zinc/82/25/20/787822520.db2.gz ATJBKVOKLFTVGD-SJORKVTESA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C/c2ccc[nH]2)CC[C@@H]1C ZINC001131999549 787872277 /nfs/dbraw/zinc/87/22/77/787872277.db2.gz QSUQRNVMJDIXJD-IVAPMYIESA-N 0 3 317.433 2.200 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132038006 787900936 /nfs/dbraw/zinc/90/09/36/787900936.db2.gz MCIXYBBUIFLBBI-JKSUJKDBSA-N 0 3 306.450 2.208 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C(F)F)CC2)CC[C@H]1C ZINC001132056710 787908267 /nfs/dbraw/zinc/90/82/67/787908267.db2.gz CFPRTMKIVIVKCY-OLZOCXBDSA-N 0 3 316.392 2.203 20 30 DEEDHN CCN(CC)CC(=O)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001096940723 787912605 /nfs/dbraw/zinc/91/26/05/787912605.db2.gz UNVWFIMOELPCME-ZDUSSCGKSA-N 0 3 318.396 2.052 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCOCC(F)F)CC[C@H]1C ZINC001132049384 787913107 /nfs/dbraw/zinc/91/31/07/787913107.db2.gz CNOPIDFOGVLFFK-OLZOCXBDSA-N 0 3 304.381 2.203 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCc2cnn(C)c2)C1 ZINC001132072834 787917143 /nfs/dbraw/zinc/91/71/43/787917143.db2.gz PRCMZGOLIQYMPW-NVXWUHKLSA-N 0 3 318.465 2.288 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCOCC=C)C2)CCC1 ZINC001132100905 787926438 /nfs/dbraw/zinc/92/64/38/787926438.db2.gz CQMOGELNZDAWPF-IRXDYDNUSA-N 0 3 318.461 2.352 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111441505 787939851 /nfs/dbraw/zinc/93/98/51/787939851.db2.gz QSDOBNXCWZUUDS-QRVBRYPASA-N 0 3 306.409 2.173 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCOCC(F)(F)F)CC[C@H]1C ZINC001132150676 787944315 /nfs/dbraw/zinc/94/43/15/787944315.db2.gz VBGQWECVVDQVDM-NEPJUHHUSA-N 0 3 308.344 2.111 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132215555 787966867 /nfs/dbraw/zinc/96/68/67/787966867.db2.gz ZQWIDIYPTGUZBR-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCn2nc(C)cc2C)CC[C@@H]1C ZINC001132211045 787967604 /nfs/dbraw/zinc/96/76/04/787967604.db2.gz LIXCSRMRRJLKKC-HOCLYGCPSA-N 0 3 304.438 2.045 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2c(C)nn(C)c2C)CC[C@@H]1C ZINC001132203515 787972257 /nfs/dbraw/zinc/97/22/57/787972257.db2.gz QLUYGYIAJWVATF-BBRMVZONSA-N 0 3 318.465 2.125 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132234873 787974913 /nfs/dbraw/zinc/97/49/13/787974913.db2.gz GQIYNGAKRJOXOD-IRXDYDNUSA-N 0 3 306.450 2.352 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001097225370 788027852 /nfs/dbraw/zinc/02/78/52/788027852.db2.gz ZZMHTQJWNADSOY-JJXSEGSLSA-N 0 3 317.433 2.044 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CC[C@@H]1C ZINC001132402985 788058545 /nfs/dbraw/zinc/05/85/45/788058545.db2.gz OOHDBBFIVKEPAI-LSDHHAIUSA-N 0 3 317.433 2.232 20 30 DEEDHN C=CC(C)(C)C(=O)NCCNCC(=O)N(C(C)C)C1CCCC1 ZINC001132404148 788060025 /nfs/dbraw/zinc/06/00/25/788060025.db2.gz SBGBANYSSOKAFH-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccccc2C)CC[C@H]1C ZINC001132458303 788078171 /nfs/dbraw/zinc/07/81/71/788078171.db2.gz SUQZEKIBIPUUSH-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@H]1C ZINC001132499836 788100748 /nfs/dbraw/zinc/10/07/48/788100748.db2.gz KUVLUCXRGFXJRZ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1F)C2 ZINC001097457376 788104678 /nfs/dbraw/zinc/10/46/78/788104678.db2.gz UFKUZUQGRLUYSY-JLZZUVOBSA-N 0 3 316.376 2.193 20 30 DEEDHN COCCN1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132504971 788107986 /nfs/dbraw/zinc/10/79/86/788107986.db2.gz OIXZRQDTZHTCMQ-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN COCCN1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132504967 788108563 /nfs/dbraw/zinc/10/85/63/788108563.db2.gz OIXZRQDTZHTCMQ-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(C)(C)CO1)C2 ZINC001097522520 788126652 /nfs/dbraw/zinc/12/66/52/788126652.db2.gz UERWRSDLJKTIFK-FPCVCCKLSA-N 0 3 306.450 2.489 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2Cc3ccc(F)cc32)cc1 ZINC001132915522 788223282 /nfs/dbraw/zinc/22/32/82/788223282.db2.gz AVZAELAXMKKCGP-SFHVURJKSA-N 0 3 323.371 2.243 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2Cc3ccc(F)cc32)cc1 ZINC001132915521 788223385 /nfs/dbraw/zinc/22/33/85/788223385.db2.gz AVZAELAXMKKCGP-GOSISDBHSA-N 0 3 323.371 2.243 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cc1C)C2 ZINC001097823203 788244764 /nfs/dbraw/zinc/24/47/64/788244764.db2.gz APUCATATYJACIA-YUELXQCFSA-N 0 3 301.390 2.007 20 30 DEEDHN C=CCCCC(=O)NCCNC[C@H](O)c1ccc(F)cc1F ZINC001133158000 788298597 /nfs/dbraw/zinc/29/85/97/788298597.db2.gz WDZNVMNMZNTXKK-HNNXBMFYSA-N 0 3 312.360 2.060 20 30 DEEDHN C=CCCCC(=O)NCCN[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC001133157999 788298780 /nfs/dbraw/zinc/29/87/80/788298780.db2.gz WCRKMNKOLBRHMI-PCKAHOCUSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cnc(CC#N)nc1 ZINC001170681058 788382952 /nfs/dbraw/zinc/38/29/52/788382952.db2.gz DNPOHYUPCUPJJQ-LBPRGKRZSA-N 0 3 304.357 2.415 20 30 DEEDHN C=C1CCC(C(=O)NCCN[C@H](C)C(=O)NC(CC)CC)CC1 ZINC001133375802 788388519 /nfs/dbraw/zinc/38/85/19/788388519.db2.gz JFCFEOALLCLWBR-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001133383224 788394016 /nfs/dbraw/zinc/39/40/16/788394016.db2.gz KVYYESWVOQBPAX-GOSISDBHSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001133383508 788394817 /nfs/dbraw/zinc/39/48/17/788394817.db2.gz RTZOEZYUHATYFC-NVXWUHKLSA-N 0 3 308.397 2.167 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1cnccn1)NCc1ccccc1C#N ZINC001133548748 788482278 /nfs/dbraw/zinc/48/22/78/788482278.db2.gz AFYVEIYPEVLINK-KBPBESRZSA-N 0 3 323.400 2.035 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1cncnc1)NCc1ccccc1C#N ZINC001134151743 788776654 /nfs/dbraw/zinc/77/66/54/788776654.db2.gz ITWAQPKSYYOTNV-KBPBESRZSA-N 0 3 323.400 2.035 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1csnc1OC ZINC001134206656 788802409 /nfs/dbraw/zinc/80/24/09/788802409.db2.gz XUOQZOXUKYPRSS-STQMWFEESA-N 0 3 323.462 2.328 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)C2(C(F)(F)F)CC2)c1 ZINC001134211619 788803931 /nfs/dbraw/zinc/80/39/31/788803931.db2.gz RQCPNVWDUJFEIR-UHFFFAOYSA-N 0 3 311.307 2.107 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc3c(c2)CCO3)cc1 ZINC001134220325 788814687 /nfs/dbraw/zinc/81/46/87/788814687.db2.gz NMZJZQGEYMDNIM-UHFFFAOYSA-N 0 3 321.380 2.013 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)NCc1ccccc1C#N ZINC001134234981 788820082 /nfs/dbraw/zinc/82/00/82/788820082.db2.gz LNBDSCBUBQJPEM-KGLIPLIRSA-N 0 3 317.433 2.092 20 30 DEEDHN COc1nscc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134319266 788863797 /nfs/dbraw/zinc/86/37/97/788863797.db2.gz YRZYWHIKONPPRL-OLZOCXBDSA-N 0 3 323.462 2.184 20 30 DEEDHN CCc1nc(C)c(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001134322756 788869663 /nfs/dbraw/zinc/86/96/63/788869663.db2.gz WAFPCRHPUGXBDR-QWHCGFSZSA-N 0 3 317.433 2.332 20 30 DEEDHN Cc1ncc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001134329653 788874689 /nfs/dbraw/zinc/87/46/89/788874689.db2.gz QJHSMHYGGBXWLI-QWHCGFSZSA-N 0 3 305.422 2.405 20 30 DEEDHN CCn1ccnc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328432 788875106 /nfs/dbraw/zinc/87/51/06/788875106.db2.gz CMRKDJDRQMFHJT-CABCVRRESA-N 0 3 318.465 2.325 20 30 DEEDHN Cc1cc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)on1 ZINC001134329852 788877364 /nfs/dbraw/zinc/87/73/64/788877364.db2.gz SQBBEZHSWGCMSD-QWHCGFSZSA-N 0 3 305.422 2.405 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@H]2CC23CCC3)ccc1F ZINC001134445147 788924970 /nfs/dbraw/zinc/92/49/70/788924970.db2.gz RJJCVZNEQZFRQS-CQSZACIVSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001134471842 788947691 /nfs/dbraw/zinc/94/76/91/788947691.db2.gz YOOGVRDQAMYFDZ-KGLIPLIRSA-N 0 3 306.454 2.458 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)n(C)n1 ZINC001135357478 789299226 /nfs/dbraw/zinc/29/92/26/789299226.db2.gz DAKRHTDDFHZCBE-KBPBESRZSA-N 0 3 306.454 2.458 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001070395989 789308031 /nfs/dbraw/zinc/30/80/31/789308031.db2.gz DFEKNTXSEQQADR-CABCVRRESA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001070404930 789313890 /nfs/dbraw/zinc/31/38/90/789313890.db2.gz UMAIMBGJJNGHFE-OCCSQVGLSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@@H](C)CCCCCC)C1=O ZINC001135547502 789391536 /nfs/dbraw/zinc/39/15/36/789391536.db2.gz KRNPXXUSLMRSPN-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(C)C)n1 ZINC001070593095 789391577 /nfs/dbraw/zinc/39/15/77/789391577.db2.gz PQCGYBHWQNUJLG-GJZGRUSLSA-N 0 3 320.437 2.143 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c[nH]nc2CC)C1 ZINC001086741087 789394833 /nfs/dbraw/zinc/39/48/33/789394833.db2.gz CHJBTWJVEWWZOA-NWDGAFQWSA-N 0 3 310.829 2.213 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)c1ccccc1)C[C@@H](C)O2 ZINC001071127984 789541276 /nfs/dbraw/zinc/54/12/76/789541276.db2.gz WXQGGTNMGLIQOA-VQIMIIECSA-N 0 3 312.413 2.015 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cncs1)C[C@H](C)O2 ZINC001071144777 789555356 /nfs/dbraw/zinc/55/53/56/789555356.db2.gz URWPTPKUECENLR-BBRMVZONSA-N 0 3 321.446 2.025 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001071212695 789597635 /nfs/dbraw/zinc/59/76/35/789597635.db2.gz FPDZAANTJLNOMJ-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(CF)CC1)C[C@H](C)O2 ZINC001071213404 789598581 /nfs/dbraw/zinc/59/85/81/789598581.db2.gz DVCACVTVGYMYNV-YOEHRIQHSA-N 0 3 310.413 2.004 20 30 DEEDHN CC(C)[C@@H]1C[C@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001136061323 789614228 /nfs/dbraw/zinc/61/42/28/789614228.db2.gz LVKGLJUAUYZNHK-LSDHHAIUSA-N 0 3 303.381 2.195 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071357749 789679299 /nfs/dbraw/zinc/67/92/99/789679299.db2.gz NKNLTKPLVFDZME-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)CC[C@@H]1C ZINC001071543748 789769766 /nfs/dbraw/zinc/76/97/66/789769766.db2.gz NERKJCQRAUILET-HOTGVXAUSA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C3CC3)nn2C)CC[C@@H]1C ZINC001071545759 789770384 /nfs/dbraw/zinc/77/03/84/789770384.db2.gz DUBKUPLYGCEADJ-DZGCQCFKSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(OCC)nc2)CC[C@@H]1C ZINC001071548352 789773797 /nfs/dbraw/zinc/77/37/97/789773797.db2.gz FECHWZSIDBNRPO-GOEBONIOSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(CCF)c2)CC[C@H]1C ZINC001071627292 789824483 /nfs/dbraw/zinc/82/44/83/789824483.db2.gz BYVIADSTIKUQRA-HIFRSBDPSA-N 0 3 308.401 2.011 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc(OC)c2)CC[C@@H]1C ZINC001071634727 789830025 /nfs/dbraw/zinc/83/00/25/789830025.db2.gz HSXRWSQFRHAKCW-DZGCQCFKSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)cc2F)CC[C@H]1C ZINC001071658296 789845327 /nfs/dbraw/zinc/84/53/27/789845327.db2.gz DJFXNJHHQWRILV-KGLIPLIRSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(COC)c2)CC[C@@H]1C ZINC001071659982 789846039 /nfs/dbraw/zinc/84/60/39/789846039.db2.gz NONNBBPWBNNCNH-YJBOKZPZSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(c3cc(C)no3)CC2)CC[C@@H]1C ZINC001071766498 789909651 /nfs/dbraw/zinc/90/96/51/789909651.db2.gz XKQWRIIUNBOKBA-LSDHHAIUSA-N 0 3 315.417 2.007 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cn(C)nc2Cl)CC[C@H]1C ZINC001071821281 789930827 /nfs/dbraw/zinc/93/08/27/789930827.db2.gz MCGRDKCLEPQWRQ-OCCSQVGLSA-N 0 3 324.856 2.161 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2cccc(F)c2F)CC[C@H]1C ZINC001071851649 789942822 /nfs/dbraw/zinc/94/28/22/789942822.db2.gz NUHSDWXPAOQRMZ-UKRRQHHQSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2cccc(F)c2F)CC[C@@H]1C ZINC001071851647 789942961 /nfs/dbraw/zinc/94/29/61/789942961.db2.gz NUHSDWXPAOQRMZ-DZGCQCFKSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)nn2C)CC[C@@H]1C ZINC001071961906 789989058 /nfs/dbraw/zinc/98/90/58/789989058.db2.gz XXSHBGMGHPXXOW-LSDHHAIUSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@H]1C ZINC001071973629 789994991 /nfs/dbraw/zinc/99/49/91/789994991.db2.gz HRKZACPGHDBUKP-UKRRQHHQSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)CC[C@H]1C ZINC001071973629 789994996 /nfs/dbraw/zinc/99/49/96/789994996.db2.gz HRKZACPGHDBUKP-UKRRQHHQSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2coc(CCC)n2)CC[C@H]1C ZINC001071991201 790000174 /nfs/dbraw/zinc/00/01/74/790000174.db2.gz DUWUVBKQMOFEFY-ZIAGYGMSSA-N 0 3 303.406 2.233 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)CC[C@@H]1C ZINC001072036291 790024498 /nfs/dbraw/zinc/02/44/98/790024498.db2.gz ASSSYSKAJDQROK-BBRMVZONSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccccc2OC)CC[C@@H]1C ZINC001072054725 790035491 /nfs/dbraw/zinc/03/54/91/790035491.db2.gz IPKHNQUQDYOVFR-HOCLYGCPSA-N 0 3 302.418 2.393 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)CC[C@@H]1C ZINC001072071034 790040600 /nfs/dbraw/zinc/04/06/00/790040600.db2.gz VQVPSJDUUITYTM-WFASDCNBSA-N 0 3 304.438 2.114 20 30 DEEDHN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNCc1cscn1 ZINC001072281652 790105864 /nfs/dbraw/zinc/10/58/64/790105864.db2.gz UKFXDUVLFZWCHD-ZFWWWQNUSA-N 0 3 317.458 2.131 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001072341051 790119990 /nfs/dbraw/zinc/11/99/90/790119990.db2.gz QQLWHCYATXHYRR-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cn(CC)nc3C3CC3)C2)C1 ZINC001072785152 790246499 /nfs/dbraw/zinc/24/64/99/790246499.db2.gz PQGPHCAAHPHYQD-UHFFFAOYSA-N 0 3 314.433 2.114 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3ccc(F)cc3F)C2)C1 ZINC001072797172 790249774 /nfs/dbraw/zinc/24/97/74/790249774.db2.gz OCECVDPMWDORKD-UHFFFAOYSA-N 0 3 322.355 2.064 20 30 DEEDHN 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C#CCN1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001092219947 791948522 /nfs/dbraw/zinc/94/85/22/791948522.db2.gz NTKYGTJNMDZZTD-PBHICJAKSA-N 0 3 302.805 2.367 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C(F)F)o3)C[C@]2(C)C1 ZINC001092238208 791952516 /nfs/dbraw/zinc/95/25/16/791952516.db2.gz KZGHGBLTALQQTD-BZNIZROVSA-N 0 3 308.328 2.244 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(Cl)cn3CC)C[C@]2(C)C1 ZINC001092279601 791961957 /nfs/dbraw/zinc/96/19/57/791961957.db2.gz HNVPRQZNEYHKEB-DYVFJYSZSA-N 0 3 319.836 2.189 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CC(F)(F)C2)C1 ZINC001098907727 791981619 /nfs/dbraw/zinc/98/16/19/791981619.db2.gz LCPTZNRUCBTFJJ-HOCLYGCPSA-N 0 3 310.388 2.416 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001099021473 792040563 /nfs/dbraw/zinc/04/05/63/792040563.db2.gz NSYPLIAFGXDVFN-BONVTDFDSA-N 0 3 310.348 2.118 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@](C)(O)C1CC1 ZINC001099023711 792043466 /nfs/dbraw/zinc/04/34/66/792043466.db2.gz 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C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC001093351860 792330641 /nfs/dbraw/zinc/33/06/41/792330641.db2.gz GMJJCERHABBESE-SFHVURJKSA-N 0 3 323.440 2.422 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001093375413 792348098 /nfs/dbraw/zinc/34/80/98/792348098.db2.gz VKTFAEALJOGAOM-DJIMGWMZSA-N 0 3 300.446 2.369 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099962826 792422115 /nfs/dbraw/zinc/42/21/15/792422115.db2.gz UVYNTAGJYYRTKG-MSOLQXFVSA-N 0 3 318.461 2.232 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccc(OC)cc1 ZINC001100148563 792487355 /nfs/dbraw/zinc/48/73/55/792487355.db2.gz KFAVIHFAOVWXAE-ZWKOTPCHSA-N 0 3 312.413 2.013 20 30 DEEDHN Cc1ncoc1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100218878 792524749 /nfs/dbraw/zinc/52/47/49/792524749.db2.gz KFOUXJDEXIHZKL-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100373851 792619300 /nfs/dbraw/zinc/61/93/00/792619300.db2.gz LWDQIXAXNRQJGA-UHFFFAOYSA-N 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ZINC001102254336 793547307 /nfs/dbraw/zinc/54/73/07/793547307.db2.gz WKFZXOHNWPSWIQ-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CN([C@@H]1CCCOC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991840 793561896 /nfs/dbraw/zinc/56/18/96/793561896.db2.gz BTGSPXABMGKWNO-KFWWJZLASA-N 0 3 323.437 2.389 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H](C)C2CCCC2)[C@H](C)C1 ZINC001102506901 793635385 /nfs/dbraw/zinc/63/53/85/793635385.db2.gz HJBUBOXMLNFKEQ-SOLBZPMBSA-N 0 3 320.477 2.147 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3cccnn3)CC2)CC1 ZINC001173327207 793679261 /nfs/dbraw/zinc/67/92/61/793679261.db2.gz JJOGNDRUOYOOFW-UHFFFAOYSA-N 0 3 302.422 2.112 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(C(F)F)CCC2)C1 ZINC001150178913 793715641 /nfs/dbraw/zinc/71/56/41/793715641.db2.gz CUUSOWMLLXFMJB-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cccc(=O)[nH]2)C1 ZINC001102826130 793775230 /nfs/dbraw/zinc/77/52/30/793775230.db2.gz BHDLDQLDGYUXAN-DGCLKSJQSA-N 0 3 323.824 2.228 20 30 DEEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173747463 793835142 /nfs/dbraw/zinc/83/51/42/793835142.db2.gz MZTKNZRPWQRDGB-SJORKVTESA-N 0 3 308.389 2.087 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001150334422 793922952 /nfs/dbraw/zinc/92/29/52/793922952.db2.gz WJKIVQHSJFSRCB-QWHCGFSZSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001150334421 793923309 /nfs/dbraw/zinc/92/33/09/793923309.db2.gz WJKIVQHSJFSRCB-OLZOCXBDSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001103312038 794034546 /nfs/dbraw/zinc/03/45/46/794034546.db2.gz YMRIKMKIJBMGOQ-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(COC)c(F)c1 ZINC001174651770 794043031 /nfs/dbraw/zinc/04/30/31/794043031.db2.gz VHTJDLHTVBWIOD-UHFFFAOYSA-N 0 3 314.788 2.434 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001174849189 794085702 /nfs/dbraw/zinc/08/57/02/794085702.db2.gz KRPIWIWFMIYNRJ-LSDHHAIUSA-N 0 3 321.469 2.182 20 30 DEEDHN C[C@@H]1CN(C(=O)C(F)F)C[C@H]1CCNCc1ccccc1C#N ZINC001103805199 794234840 /nfs/dbraw/zinc/23/48/40/794234840.db2.gz ZGHDELBGFYINJU-IUODEOHRSA-N 0 3 321.371 2.398 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCCCNCC#N ZINC001175573131 794245226 /nfs/dbraw/zinc/24/52/26/794245226.db2.gz OLFKFOGEILIKHX-HOTGVXAUSA-N 0 3 308.470 2.037 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001150527825 794298115 /nfs/dbraw/zinc/29/81/15/794298115.db2.gz RZNJAUROUPBBND-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCCOC)C[C@H]1C ZINC001103929927 794310600 /nfs/dbraw/zinc/31/06/00/794310600.db2.gz WDAVWGZONRBLKG-TZMCWYRMSA-N 0 3 302.846 2.240 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(NC(C)=O)c1 ZINC001175927502 794317876 /nfs/dbraw/zinc/31/78/76/794317876.db2.gz RZVXAURDOKZKMB-UHFFFAOYSA-N 0 3 309.797 2.107 20 30 DEEDHN CCCN(C)CC(=O)NC[C@@H](C)CNc1cccc(F)c1C#N ZINC001104032926 794352243 /nfs/dbraw/zinc/35/22/43/794352243.db2.gz JWHIETJXWXWOMO-ZDUSSCGKSA-N 0 3 320.412 2.203 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)n1nc(C)cc1C ZINC001176132421 794354668 /nfs/dbraw/zinc/35/46/68/794354668.db2.gz HKUMUZHFLRJKRG-CQSZACIVSA-N 0 3 312.845 2.299 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C ZINC001104041461 794354858 /nfs/dbraw/zinc/35/48/58/794354858.db2.gz FRFZWVKWZXIVOD-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2nccn2CC)C[C@H]1C ZINC001104130686 794390898 /nfs/dbraw/zinc/39/08/98/794390898.db2.gz GRNYMGDWQSYDEZ-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001111775261 794476695 /nfs/dbraw/zinc/47/66/95/794476695.db2.gz VMAZLOHWIXVPIP-WFASDCNBSA-N 0 3 314.351 2.323 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001111941510 794530763 /nfs/dbraw/zinc/53/07/63/794530763.db2.gz VSKZENRKCQPRTB-VKJFTORMSA-N 0 3 300.402 2.377 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)COc2ccsc2)C1 ZINC001111938163 794530989 /nfs/dbraw/zinc/53/09/89/794530989.db2.gz OCKBIWDJMDDVIR-YOEHRIQHSA-N 0 3 318.442 2.121 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1C(F)(F)F ZINC001112046651 794549584 /nfs/dbraw/zinc/54/95/84/794549584.db2.gz IQIRGWRGLKLTDT-CHWSQXEVSA-N 0 3 320.355 2.301 20 30 DEEDHN C=CCCOCC(=O)NCCCNCc1cc(F)ccc1F ZINC001177264616 794628155 /nfs/dbraw/zinc/62/81/55/794628155.db2.gz QMYCAJYCLUWPOU-UHFFFAOYSA-N 0 3 312.360 2.153 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ccc(F)cc1F ZINC001115057573 794666757 /nfs/dbraw/zinc/66/67/57/794666757.db2.gz FONQGOUUYYFXEC-HALDLXJZSA-N 0 3 306.356 2.130 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001115274336 794718251 /nfs/dbraw/zinc/71/82/51/794718251.db2.gz VBXKRYBPYAADQI-VIBAHUMZSA-N 0 3 314.429 2.106 20 30 DEEDHN Cc1nc2c([nH]1)CCN(C(=O)C(C#N)Cc1cccs1)CC2 ZINC001177909154 794773561 /nfs/dbraw/zinc/77/35/61/794773561.db2.gz RBBYPMNZZPTTKF-LBPRGKRZSA-N 0 3 314.414 2.089 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCCCCCNCc1cc(C)no1 ZINC001178335264 794890868 /nfs/dbraw/zinc/89/08/68/794890868.db2.gz VAIBMHLNBAQFIN-QGZVFWFLSA-N 0 3 323.437 2.076 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCC(C)C)[C@@H]1C ZINC001178316113 794897792 /nfs/dbraw/zinc/89/77/92/794897792.db2.gz VSPWLTRROBTEPS-JYJNAYRXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2ccns2)[C@@H]1C ZINC001178435183 794913372 /nfs/dbraw/zinc/91/33/72/794913372.db2.gz YVTZKXFBPOYNGX-ZFWWWQNUSA-N 0 3 323.462 2.205 20 30 DEEDHN Cc1ncc(CN[C@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)s1 ZINC001178646234 794964651 /nfs/dbraw/zinc/96/46/51/794964651.db2.gz ZQUSQRXYPOYRDN-WFASDCNBSA-N 0 3 305.447 2.190 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001178773808 795004236 /nfs/dbraw/zinc/00/42/36/795004236.db2.gz SRPYCBCEPNTRHH-YOEHRIQHSA-N 0 3 316.449 2.268 20 30 DEEDHN CC#CCCCC(=O)NCCCCCCNCc1nccn1C ZINC001179316263 795098223 /nfs/dbraw/zinc/09/82/23/795098223.db2.gz XAPCYAASWPUZSC-UHFFFAOYSA-N 0 3 318.465 2.380 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001179360488 795106458 /nfs/dbraw/zinc/10/64/58/795106458.db2.gz XGHHIBCZTBFBNW-YOEHRIQHSA-N 0 3 314.433 2.058 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCC(=O)N(C)C(C)C)[C@@H]1C ZINC001179384110 795110482 /nfs/dbraw/zinc/11/04/82/795110482.db2.gz CQZHPLGQJUUNCZ-XHSDSOJGSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001179384645 795110952 /nfs/dbraw/zinc/11/09/52/795110952.db2.gz SMOJBXSLCVLQEJ-DZKIICNBSA-N 0 3 304.438 2.101 20 30 DEEDHN Cc1nocc1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179459847 795118817 /nfs/dbraw/zinc/11/88/17/795118817.db2.gz OZRITAGVMLYAJK-YJBOKZPZSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)NC(CC)CC)[C@@H]1C ZINC001179463868 795120202 /nfs/dbraw/zinc/12/02/02/795120202.db2.gz PUCJRNUVRIGOOC-HOCLYGCPSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)COc1ccccc1C(F)(F)F ZINC001118156724 795160322 /nfs/dbraw/zinc/16/03/22/795160322.db2.gz ZBORGXXDNCJZFA-RYUDHWBXSA-N 0 3 319.323 2.236 20 30 DEEDHN COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)C(C)C#N ZINC001179894456 795191630 /nfs/dbraw/zinc/19/16/30/795191630.db2.gz CQVBSZYJXWOSJO-FVQBIDKESA-N 0 3 314.385 2.484 20 30 DEEDHN CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001180639657 795350417 /nfs/dbraw/zinc/35/04/17/795350417.db2.gz HZJZXJUTDRWNJI-RDTXWAMCSA-N 0 3 300.402 2.103 20 30 DEEDHN Cc1csc(CNC[C@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@H]2C)n1 ZINC001180914844 795388739 /nfs/dbraw/zinc/38/87/39/795388739.db2.gz WDIQRTGCUSGRRU-HWWQOWPSSA-N 0 3 320.462 2.185 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(C(=O)NCCCCC)CC1 ZINC001120461533 795465171 /nfs/dbraw/zinc/46/51/71/795465171.db2.gz OHSXKNOVZAHJKQ-INIZCTEOSA-N 0 3 323.481 2.215 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001110245048 795496101 /nfs/dbraw/zinc/49/61/01/795496101.db2.gz APJSZXULMYQYAE-ZACQAIPSSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC001121058587 795583151 /nfs/dbraw/zinc/58/31/51/795583151.db2.gz ZAFDGWAOXLVKDY-OAHLLOKOSA-N 0 3 315.417 2.172 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001121897887 795700731 /nfs/dbraw/zinc/70/07/31/795700731.db2.gz QDKGXVORVUSEPF-KRWDZBQOSA-N 0 3 301.434 2.014 20 30 DEEDHN CN(C(=O)C1CC1)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC001122172754 795732273 /nfs/dbraw/zinc/73/22/73/795732273.db2.gz FCGXCRJNNBYRCW-OAHLLOKOSA-N 0 3 314.389 2.019 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001122331499 795748661 /nfs/dbraw/zinc/74/86/61/795748661.db2.gz LDJDTZAZCBDIHL-CABCVRRESA-N 0 3 305.809 2.335 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001182840998 795766105 /nfs/dbraw/zinc/76/61/05/795766105.db2.gz CVTVJDJRJSXMOH-QGZVFWFLSA-N 0 3 314.433 2.244 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc(OCCC)c2)C1 ZINC001182998591 795788976 /nfs/dbraw/zinc/78/89/76/795788976.db2.gz APGZZQPGAQBEDA-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(CN1CCCC1)C(=O)N1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001183042707 795794663 /nfs/dbraw/zinc/79/46/63/795794663.db2.gz AXBZOPLDTSHGHT-IRXDYDNUSA-N 0 3 310.397 2.077 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ocnc2-c2ccccc2)C1 ZINC001183123884 795802752 /nfs/dbraw/zinc/80/27/52/795802752.db2.gz DMDGXAXYAMLJJX-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN C#CCSCC(=O)C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC001122979995 795834204 /nfs/dbraw/zinc/83/42/04/795834204.db2.gz HOMYCAGBSAZHPC-LSDHHAIUSA-N 0 3 314.410 2.329 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(F)cc3ccoc32)C1 ZINC001183806230 795940114 /nfs/dbraw/zinc/94/01/14/795940114.db2.gz IVYUKTQHSIAYJK-CQSZACIVSA-N 0 3 300.333 2.399 20 30 DEEDHN C=C(CC(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC001123795197 795979679 /nfs/dbraw/zinc/97/96/79/795979679.db2.gz CPITYSCWAAKDRZ-GOSISDBHSA-N 0 3 316.445 2.124 20 30 DEEDHN C=C(CC(=O)OCCCC)C(=O)Nc1cnccc1N(C)C ZINC001184306770 796029814 /nfs/dbraw/zinc/02/98/14/796029814.db2.gz BYYMJZOGBKUYBP-UHFFFAOYSA-N 0 3 305.378 2.376 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]2C)o1 ZINC001184371753 796056002 /nfs/dbraw/zinc/05/60/02/796056002.db2.gz OSBIOBLTGGLJJQ-GOEBONIOSA-N 0 3 317.433 2.217 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001184492422 796064444 /nfs/dbraw/zinc/06/44/44/796064444.db2.gz STOQEWOSNYTOHN-VNQPRFMTSA-N 0 3 318.367 2.282 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)CCCF)C2)ccc1F ZINC001184971756 796157218 /nfs/dbraw/zinc/15/72/18/796157218.db2.gz MEMXTELGHAFIQQ-CQSZACIVSA-N 0 3 307.344 2.138 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001185064213 796173520 /nfs/dbraw/zinc/17/35/20/796173520.db2.gz NPNOQHWDQCJASK-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncccc1[O-])C2 ZINC001138393855 796212324 /nfs/dbraw/zinc/21/23/24/796212324.db2.gz XNGZSDDRWHGYMT-WMLDXEAASA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncccc1[O-])C2 ZINC001138393855 796212327 /nfs/dbraw/zinc/21/23/27/796212327.db2.gz XNGZSDDRWHGYMT-WMLDXEAASA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NCCC(C)C)C1 ZINC001185280360 796229372 /nfs/dbraw/zinc/22/93/72/796229372.db2.gz MHETUOPIFVEQHB-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1[O-] ZINC001138627736 796246513 /nfs/dbraw/zinc/24/65/13/796246513.db2.gz NRIOCRNBFLCHLH-HZPDHXFCSA-N 0 3 300.402 2.316 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1[O-] ZINC001138627736 796246515 /nfs/dbraw/zinc/24/65/15/796246515.db2.gz NRIOCRNBFLCHLH-HZPDHXFCSA-N 0 3 300.402 2.316 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC001186349386 796391763 /nfs/dbraw/zinc/39/17/63/796391763.db2.gz PRERFYGSHLOJML-CQSZACIVSA-N 0 3 302.393 2.317 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001186472266 796406039 /nfs/dbraw/zinc/40/60/39/796406039.db2.gz JFBDLVPYMCRJQR-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc2c(c1)COC2 ZINC001139869282 796438496 /nfs/dbraw/zinc/43/84/96/796438496.db2.gz DCLZMQICTKLXCV-UHFFFAOYSA-N 0 3 302.418 2.226 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C(C)(C)c2cccc(OC)c2)C1 ZINC001186798885 796445609 /nfs/dbraw/zinc/44/56/09/796445609.db2.gz BGOHUKURAHCSBA-MRXNPFEDSA-N 0 3 314.429 2.187 20 30 DEEDHN COCCCN1CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140114880 796479000 /nfs/dbraw/zinc/47/90/00/796479000.db2.gz DTTUZIGBRZDNHE-UHFFFAOYSA-N 0 3 312.417 2.194 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001187272574 796511272 /nfs/dbraw/zinc/51/12/72/796511272.db2.gz MTWBKSMNCOZTEE-YESZJQIVSA-N 0 3 308.466 2.404 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001187341185 796528706 /nfs/dbraw/zinc/52/87/06/796528706.db2.gz PVPLFRNNEPXNCT-CVEARBPZSA-N 0 3 323.481 2.206 20 30 DEEDHN N#Cc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)cn1 ZINC001140542894 796536608 /nfs/dbraw/zinc/53/66/08/796536608.db2.gz IAWQSEFFKGDSFJ-UHFFFAOYSA-N 0 3 305.385 2.221 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cn1 ZINC001140541344 796536919 /nfs/dbraw/zinc/53/69/19/796536919.db2.gz FBDZWSFAMVEBPJ-RBUKOAKNSA-N 0 3 319.412 2.197 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(C#N)nc1)CC2 ZINC001140544072 796537438 /nfs/dbraw/zinc/53/74/38/796537438.db2.gz ZXIHECIVRCSQME-LJQANCHMSA-N 0 3 324.428 2.486 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2ccc(C#N)nc2)C[C@@H]1c1ccccc1 ZINC001140547021 796538516 /nfs/dbraw/zinc/53/85/16/796538516.db2.gz FGSGTRYSKUXRSG-MSOLQXFVSA-N 0 3 321.380 2.342 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(C)[nH]n1)CC2 ZINC001203073552 796589506 /nfs/dbraw/zinc/58/95/06/796589506.db2.gz BWFYPIGRRWHPHQ-QGZVFWFLSA-N 0 3 302.422 2.251 20 30 DEEDHN CC[C@@H](F)CN[C@@H]1CCN(C(=O)CC#Cc2ccccc2)C1 ZINC001188032801 796620469 /nfs/dbraw/zinc/62/04/69/796620469.db2.gz AJKHBMWCTBAMJP-IAGOWNOFSA-N 0 3 302.393 2.367 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3C=CC=CC=C3)[C@@H]2C1 ZINC001188063472 796621355 /nfs/dbraw/zinc/62/13/55/796621355.db2.gz KHLROSXKSJVHJG-ZWKOTPCHSA-N 0 3 314.429 2.020 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001188229457 796646518 /nfs/dbraw/zinc/64/65/18/796646518.db2.gz KBDCXOYPNWPHRI-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001188309637 796662256 /nfs/dbraw/zinc/66/22/56/796662256.db2.gz FRWUNAOEMWFYHX-GXTWGEPZSA-N 0 3 323.462 2.042 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@@H](C=C)CC)[C@@H]2C1 ZINC001188908817 796741052 /nfs/dbraw/zinc/74/10/52/796741052.db2.gz JYEDWLSLIVAEPT-YESZJQIVSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCOC[C@@H]2CCCCO2)C1 ZINC001189317782 796807346 /nfs/dbraw/zinc/80/73/46/796807346.db2.gz DOGCJDMNWYLSNR-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CN1CCC(C(=O)N=C(N)c2ccc3cc(O)ccc3c2)CC1 ZINC001143316524 796823553 /nfs/dbraw/zinc/82/35/53/796823553.db2.gz QYJSYDSXRIYYAX-UHFFFAOYSA-N 0 3 311.385 2.119 20 30 DEEDHN CCOc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001149593680 796873584 /nfs/dbraw/zinc/87/35/84/796873584.db2.gz GOQMFXNHACLGPA-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](CC)CC(F)F)C1 ZINC001149835611 796899495 /nfs/dbraw/zinc/89/94/95/796899495.db2.gz LMRWTDVGEDLEDG-KBPBESRZSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001189925791 796904355 /nfs/dbraw/zinc/90/43/55/796904355.db2.gz FHWAIIFSFJUJME-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CCCC1CCCCC1 ZINC001149997714 796911944 /nfs/dbraw/zinc/91/19/44/796911944.db2.gz UFDQZMSXMDVMGE-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001150027616 796914983 /nfs/dbraw/zinc/91/49/83/796914983.db2.gz BZTKTSXQWMNSHR-DFGXFYAUSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCCCCC(=O)NC[C@@H]1CN(CC(=C)C)CCCO1 ZINC001150090612 796919607 /nfs/dbraw/zinc/91/96/07/796919607.db2.gz GHQOHXMLPDRKCC-QGZVFWFLSA-N 0 3 306.450 2.353 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(C)CC(F)(F)C2)C1 ZINC001150572842 796955157 /nfs/dbraw/zinc/95/51/57/796955157.db2.gz VQXMINIGHZMORQ-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001150614204 796960676 /nfs/dbraw/zinc/96/06/76/796960676.db2.gz UCCFYMQROJZRSR-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001190425080 797005027 /nfs/dbraw/zinc/00/50/27/797005027.db2.gz KFEHOVFYIHBNFI-ZWKOTPCHSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@H]2CCCCO2)CC1 ZINC001151056546 797006890 /nfs/dbraw/zinc/00/68/90/797006890.db2.gz BUNQZLVVDBATRZ-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001190450259 797010614 /nfs/dbraw/zinc/01/06/14/797010614.db2.gz UYKSDYVZYDQVMF-RYQLBKOJSA-N 0 3 314.429 2.310 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@H](N(C)CC=C(C)C)C2)CCOCC1 ZINC001190584077 797034719 /nfs/dbraw/zinc/03/47/19/797034719.db2.gz GQBHJKRUTMZUMO-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccc(OC)o2)CC1 ZINC001151367821 797038306 /nfs/dbraw/zinc/03/83/06/797038306.db2.gz SHRQGUHAOBQNMO-UHFFFAOYSA-N 0 3 322.405 2.075 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)CCOC3CCC3)C2)CCC1 ZINC001190605696 797040114 /nfs/dbraw/zinc/04/01/14/797040114.db2.gz YUYAXDBUVCKGOR-MRXNPFEDSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](CC)CC(F)F)C1 ZINC001190613579 797041015 /nfs/dbraw/zinc/04/10/15/797041015.db2.gz PNWBUIGQRIYHQM-KGLIPLIRSA-N 0 3 318.408 2.403 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C(F)F ZINC001151442236 797046703 /nfs/dbraw/zinc/04/67/03/797046703.db2.gz YRNWJNYFLLTQDP-SNVBAGLBSA-N 0 3 313.323 2.289 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1CC[C@@H](N(C)CCOC)C1 ZINC001190973695 797117490 /nfs/dbraw/zinc/11/74/90/797117490.db2.gz QZQMRXNOEUVCQZ-OAHLLOKOSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1ccc(C(N)=O)cc1 ZINC001152346047 797175026 /nfs/dbraw/zinc/17/50/26/797175026.db2.gz BAGQLSDPRMXBNN-CQSZACIVSA-N 0 3 317.433 2.078 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)CCOCC(F)(F)F)C1 ZINC001191727578 797247891 /nfs/dbraw/zinc/24/78/91/797247891.db2.gz NJQUNIDFKWUHIK-LBPRGKRZSA-N 0 3 322.371 2.310 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC001191889100 797281616 /nfs/dbraw/zinc/28/16/16/797281616.db2.gz ATUGTIPYFLLNCU-DOTOQJQBSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001153135613 797290395 /nfs/dbraw/zinc/29/03/95/797290395.db2.gz VWCGPJADLBOOTK-BZNIZROVSA-N 0 3 324.371 2.249 20 30 DEEDHN CC(C)CCO[C@@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001153161020 797293693 /nfs/dbraw/zinc/29/36/93/797293693.db2.gz VPMPBWSWXIVPGJ-ZDUSSCGKSA-N 0 3 323.462 2.277 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001192169667 797330524 /nfs/dbraw/zinc/33/05/24/797330524.db2.gz CHONCOGIFCGJOU-GPANFISMSA-N 0 3 312.429 2.250 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(CC)nc1C1CC1 ZINC001153612436 797363366 /nfs/dbraw/zinc/36/33/66/797363366.db2.gz LAMNYJHUWSXYKM-CQSZACIVSA-N 0 3 316.449 2.244 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC001192621164 797425183 /nfs/dbraw/zinc/42/51/83/797425183.db2.gz FUGXTEAGEGSYPY-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1COc2ccccc2C1 ZINC001154242394 797494154 /nfs/dbraw/zinc/49/41/54/797494154.db2.gz LFKZTWDFSZSDKI-NVXWUHKLSA-N 0 3 314.429 2.088 20 30 DEEDHN C[C@H](C#N)S(=O)(=O)Nc1cccc(CN2CCCCC2)c1 ZINC001193146197 797512894 /nfs/dbraw/zinc/51/28/94/797512894.db2.gz ICGQPKJBRMFUAR-CYBMUJFWSA-N 0 3 307.419 2.326 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001154415298 797530497 /nfs/dbraw/zinc/53/04/97/797530497.db2.gz MCAXHRPDYRRRNV-ZJPYXAASSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccco2)on1 ZINC001154533340 797555255 /nfs/dbraw/zinc/55/52/55/797555255.db2.gz YJUOTXALXNTBGV-GFCCVEGCSA-N 0 3 301.346 2.008 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001193578350 797587491 /nfs/dbraw/zinc/58/74/91/797587491.db2.gz FBWJNRQTEGPOJY-CQSZACIVSA-N 0 3 323.824 2.084 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC001193551152 797590337 /nfs/dbraw/zinc/59/03/37/797590337.db2.gz NHNGVWDRGGJYBR-IRXDYDNUSA-N 0 3 319.449 2.175 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001193662584 797606315 /nfs/dbraw/zinc/60/63/15/797606315.db2.gz GWPIVBMRZXTIBH-KRWDZBQOSA-N 0 3 302.418 2.344 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1scnc1C ZINC001155009314 797660179 /nfs/dbraw/zinc/66/01/79/797660179.db2.gz CQEVIEVOEAJXFR-UHFFFAOYSA-N 0 3 318.240 2.070 20 30 DEEDHN CCN1CCCC[C@@H]1c1ccc(N2CCO[C@@H](C#N)C2)nc1 ZINC001155342196 797737859 /nfs/dbraw/zinc/73/78/59/797737859.db2.gz QKXZNGACFQLMGA-JKSUJKDBSA-N 0 3 300.406 2.357 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2cscn2)c1 ZINC001155684681 797827203 /nfs/dbraw/zinc/82/72/03/797827203.db2.gz ZVDPFEQPDZYIJD-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)N(CC)CC#CC ZINC001155730270 797836035 /nfs/dbraw/zinc/83/60/35/797836035.db2.gz IUVJBYJPVGCJGY-IKGGRYGDSA-N 0 3 306.450 2.208 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ccc(F)nc1 ZINC001155854476 797867165 /nfs/dbraw/zinc/86/71/65/797867165.db2.gz FSFLDKKTTUQIGJ-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN C=CCOCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001195284616 797870796 /nfs/dbraw/zinc/87/07/96/797870796.db2.gz ZXEQDWCUJKQOIV-GOSISDBHSA-N 0 3 314.429 2.411 20 30 DEEDHN C#CCCCCC(=O)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC001195563174 797929289 /nfs/dbraw/zinc/92/92/89/797929289.db2.gz VVCPUPOGUSUSEO-KRWDZBQOSA-N 0 3 306.450 2.283 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)nn(CCC)c1C ZINC001156260054 797959685 /nfs/dbraw/zinc/95/96/85/797959685.db2.gz SNOBGTSGCLGVAN-CQSZACIVSA-N 0 3 318.465 2.373 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCCCC)C[C@H]2O)CCC1 ZINC001195939810 797981448 /nfs/dbraw/zinc/98/14/48/797981448.db2.gz HJGFICYYNHAQPG-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CC/C=C\CC)C[C@H]2O)CC1 ZINC001195905803 797982663 /nfs/dbraw/zinc/98/26/63/797982663.db2.gz CSZFIVYIWGORRT-WUWHRIRESA-N 0 3 306.450 2.250 20 30 DEEDHN CC1CC(C(=O)NCCCNCc2cc(C#N)ccc2F)C1 ZINC001156406510 797994943 /nfs/dbraw/zinc/99/49/43/797994943.db2.gz XZVFPFQRHCQNQM-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC(C2CCC2)C2CCC2)C1 ZINC001196229134 798024441 /nfs/dbraw/zinc/02/44/41/798024441.db2.gz UANSYTMISKAMSR-QZTJIDSGSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001196474843 798059309 /nfs/dbraw/zinc/05/93/09/798059309.db2.gz MVNHRTWFBZHGJG-HZPDHXFCSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC001156672474 798059706 /nfs/dbraw/zinc/05/97/06/798059706.db2.gz PRGGDOOMUUTUAP-CZUORRHYSA-N 0 3 304.438 2.042 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccc(Cl)cc1 ZINC001156683030 798063112 /nfs/dbraw/zinc/06/31/12/798063112.db2.gz VHROALWRTSTVPQ-CYBMUJFWSA-N 0 3 308.809 2.179 20 30 DEEDHN N#Cc1ccc(C(=O)NCCCNCc2cccc(F)c2F)[nH]1 ZINC001156703388 798065727 /nfs/dbraw/zinc/06/57/27/798065727.db2.gz NXBILLKLUAAVCC-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN CN1CCC(N(C(=O)c2ncccc2C#N)C2CCCC2)CC1 ZINC001196553276 798075468 /nfs/dbraw/zinc/07/54/68/798075468.db2.gz MXZCDMAHSUCBNE-UHFFFAOYSA-N 0 3 312.417 2.432 20 30 DEEDHN C#CCCCC(=O)NCCCNCc1ccn(C2CCCC2)n1 ZINC001157164550 798152850 /nfs/dbraw/zinc/15/28/50/798152850.db2.gz SCXRYJQNKQLJKB-UHFFFAOYSA-N 0 3 316.449 2.398 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001157432035 798205414 /nfs/dbraw/zinc/20/54/14/798205414.db2.gz QNOHUFOXONYPLT-CQSZACIVSA-N 0 3 300.418 2.250 20 30 DEEDHN C(#CC1CCN(c2ncc3c(n2)CCNC3)CC1)c1ccccc1 ZINC001157526888 798222721 /nfs/dbraw/zinc/22/27/21/798222721.db2.gz VBQUQZKQCQPLHT-UHFFFAOYSA-N 0 3 318.424 2.390 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001110494317 798229491 /nfs/dbraw/zinc/22/94/91/798229491.db2.gz LYMBBFQSUKFRSC-VQHPVUNQSA-N 0 3 304.434 2.081 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001197744539 798234056 /nfs/dbraw/zinc/23/40/56/798234056.db2.gz XHTFKGPTZXHMAB-CGTJXYLNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ncoc1C ZINC001157636585 798246677 /nfs/dbraw/zinc/24/66/77/798246677.db2.gz MIIYPWTWNXQREJ-OAHLLOKOSA-N 0 3 321.421 2.112 20 30 DEEDHN CC(C)COCCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001157695908 798261042 /nfs/dbraw/zinc/26/10/42/798261042.db2.gz JZUKQALJBHISGN-HZPDHXFCSA-N 0 3 309.454 2.132 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCc2nc(CC)no2)CC1 ZINC001198092066 798279035 /nfs/dbraw/zinc/27/90/35/798279035.db2.gz MCVXGHOSNQXACI-UHFFFAOYSA-N 0 3 320.437 2.065 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2cn[nH]c21 ZINC001157958004 798313903 /nfs/dbraw/zinc/31/39/03/798313903.db2.gz NUHUJTKHNMRPJG-CVEARBPZSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001157958346 798314242 /nfs/dbraw/zinc/31/42/42/798314242.db2.gz ROKHBXVTVBWUMZ-HUUCEWRRSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001198363587 798321797 /nfs/dbraw/zinc/32/17/97/798321797.db2.gz BMFSMFYGMQGRHA-UHFFFAOYSA-N 0 3 315.461 2.229 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001158089842 798341202 /nfs/dbraw/zinc/34/12/02/798341202.db2.gz FBNJMNXQECXCEY-RBSFLKMASA-N 0 3 302.422 2.012 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1 ZINC001158180805 798355450 /nfs/dbraw/zinc/35/54/50/798355450.db2.gz SVUMCKUGRZTTPF-MRXNPFEDSA-N 0 3 315.417 2.124 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@@H](C)COC)c1ccccc1OC ZINC001198605365 798365336 /nfs/dbraw/zinc/36/53/36/798365336.db2.gz GDGDWIQZTOAMOU-HOCLYGCPSA-N 0 3 320.433 2.301 20 30 DEEDHN CCCCN[C@H](CNC(=O)[C@H](C)C#N)c1ccccc1OC ZINC001198615768 798366784 /nfs/dbraw/zinc/36/67/84/798366784.db2.gz BDMWHKKMAGZQQV-UKRRQHHQSA-N 0 3 303.406 2.402 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001198715106 798388758 /nfs/dbraw/zinc/38/87/58/798388758.db2.gz YYNWAHLILXDWEQ-HZPDHXFCSA-N 0 3 320.408 2.184 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ncccc1OC ZINC001158398250 798401062 /nfs/dbraw/zinc/40/10/62/798401062.db2.gz SEWCLXGACBHSDI-OAHLLOKOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCCOCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001199001503 798428685 /nfs/dbraw/zinc/42/86/85/798428685.db2.gz FUXVYRMYWLAGCP-INIZCTEOSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCOCC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001199002717 798428915 /nfs/dbraw/zinc/42/89/15/798428915.db2.gz YRSSGEXGUAQMIK-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1 ZINC001158571616 798432427 /nfs/dbraw/zinc/43/24/27/798432427.db2.gz SJZINSLXBXCCMD-MRXNPFEDSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cn(C)nc1Cl ZINC001158731942 798460039 /nfs/dbraw/zinc/46/00/39/798460039.db2.gz GZHBLXIBNAKDIA-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCc1cc(C)ncn1 ZINC001158844485 798477034 /nfs/dbraw/zinc/47/70/34/798477034.db2.gz JYFIOLJGCIEJDY-UHFFFAOYSA-N 0 3 310.829 2.160 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc(COC)s1 ZINC001158961923 798495938 /nfs/dbraw/zinc/49/59/38/798495938.db2.gz CAGLWWRROTVKHJ-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)Nc1ccccc1F ZINC001159040655 798512051 /nfs/dbraw/zinc/51/20/51/798512051.db2.gz SIQFQFFKMDCSEB-UHFFFAOYSA-N 0 3 321.396 2.216 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCCNCc1oc(C)nc1C)OCC ZINC001159148622 798529185 /nfs/dbraw/zinc/52/91/85/798529185.db2.gz IFCZGRXOGUMTFO-HNNXBMFYSA-N 0 3 323.437 2.259 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCCNCc1ccc(F)cn1)OCC ZINC001159148412 798529421 /nfs/dbraw/zinc/52/94/21/798529421.db2.gz FTGHEQZZHVSARA-INIZCTEOSA-N 0 3 323.412 2.188 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001110543922 798559437 /nfs/dbraw/zinc/55/94/37/798559437.db2.gz NXCRCGFAIAUETQ-TWMKSMIVSA-N 0 3 318.461 2.327 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)COC2CCCC2)CC1 ZINC001159407634 798561918 /nfs/dbraw/zinc/56/19/18/798561918.db2.gz UWBLEEODBKPUNQ-UHFFFAOYSA-N 0 3 304.434 2.107 20 30 DEEDHN C[C@H](Nc1ncccc1C#C[Si](C)(C)C)[C@H]1CNCCO1 ZINC001159501272 798573974 /nfs/dbraw/zinc/57/39/74/798573974.db2.gz VYDOKLZQXHVDFQ-DZGCQCFKSA-N 0 3 303.482 2.099 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2coc(CC)n2)CC1 ZINC001159884529 798622354 /nfs/dbraw/zinc/62/23/54/798622354.db2.gz HINHWLHFBUXAER-UHFFFAOYSA-N 0 3 301.390 2.012 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2sc(C)cc2C)CCCO1 ZINC001200614072 798655029 /nfs/dbraw/zinc/65/50/29/798655029.db2.gz MGOADNWNHWKKBX-HNNXBMFYSA-N 0 3 320.458 2.209 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)OCC ZINC001160583211 798709342 /nfs/dbraw/zinc/70/93/42/798709342.db2.gz WJXNZMILXSMUJB-LSDHHAIUSA-N 0 3 310.438 2.394 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccn3ccnc3c2)CC1 ZINC001160656827 798716623 /nfs/dbraw/zinc/71/66/23/798716623.db2.gz ATJXSCXRFSBRNR-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cn(C(C)C)cn2)CC1 ZINC001160809839 798744597 /nfs/dbraw/zinc/74/45/97/798744597.db2.gz CLHKAZAWWPOUSH-UHFFFAOYSA-N 0 3 314.433 2.239 20 30 DEEDHN C=CC(C)(C)C(=O)NCCC1=CCN(CCn2cccn2)CC1 ZINC001160888284 798755965 /nfs/dbraw/zinc/75/59/65/798755965.db2.gz IAVKSYYVPLHAGQ-UHFFFAOYSA-N 0 3 316.449 2.234 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](C)CC2CCCC2)CCCO1 ZINC001201546871 798767721 /nfs/dbraw/zinc/76/77/21/798767721.db2.gz NFSXHSONDIFXRW-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2(CC(C)C)CCCC2)CCCO1 ZINC001201659276 798786619 /nfs/dbraw/zinc/78/66/19/798786619.db2.gz OJFHKYBRGHTBJQ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2cccc3ccccc32)CCCO1 ZINC001201983493 798812920 /nfs/dbraw/zinc/81/29/20/798812920.db2.gz 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/nfs/dbraw/zinc/83/73/49/798837349.db2.gz GPNODSXCQCZYFV-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnc(C3CC3)nc2)CC1 ZINC001161422600 798852143 /nfs/dbraw/zinc/85/21/43/798852143.db2.gz WNZVFOAFVZQPGY-UHFFFAOYSA-N 0 3 312.417 2.292 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2)C1CC1 ZINC001202279537 798855176 /nfs/dbraw/zinc/85/51/76/798855176.db2.gz KEGHXXIXXUAPBL-MSOLQXFVSA-N 0 3 308.425 2.465 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ncoc2C2CC2)CC1 ZINC001161639808 798901331 /nfs/dbraw/zinc/90/13/31/798901331.db2.gz CPKPXCDNYHFOOU-UHFFFAOYSA-N 0 3 313.401 2.327 20 30 DEEDHN CN1CCN(CCCNc2nc3ccccc3cc2C#N)CC1 ZINC001161700822 798914991 /nfs/dbraw/zinc/91/49/91/798914991.db2.gz TVPUHZOYVCNNOP-UHFFFAOYSA-N 0 3 309.417 2.156 20 30 DEEDHN CN1CCN(CCCNc2cc(Cl)ccc2CC#N)CC1 ZINC001161710885 798920683 /nfs/dbraw/zinc/92/06/83/798920683.db2.gz IQQQIGCDCIWBKP-UHFFFAOYSA-N 0 3 306.841 2.455 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccccc2OC)CC1 ZINC001161763395 798931948 /nfs/dbraw/zinc/93/19/48/798931948.db2.gz POWBJZOQMZPDTM-UHFFFAOYSA-N 0 3 312.413 2.471 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1)C2 ZINC001110723603 798994570 /nfs/dbraw/zinc/99/45/70/798994570.db2.gz PTVKNVKASAAVTN-KURKYZTESA-N 0 3 314.429 2.153 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCCCC)(COC)CC1 ZINC001162096096 799010300 /nfs/dbraw/zinc/01/03/00/799010300.db2.gz CJCILGHSEWUUFK-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN C=CCc1ccc(NC(=O)C(C)(C)C)c(-n2cnc(CN)c2)n1 ZINC001162297018 799053438 /nfs/dbraw/zinc/05/34/38/799053438.db2.gz UFOMNVIBVYSYDB-UHFFFAOYSA-N 0 3 313.405 2.439 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@]2(C)C=CCC2)(COC)CC1 ZINC001162418840 799083228 /nfs/dbraw/zinc/08/32/28/799083228.db2.gz JTIGRLJETDIXGB-SFHVURJKSA-N 0 3 318.461 2.211 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)co2)(COC)CC1 ZINC001162428468 799087041 /nfs/dbraw/zinc/08/70/41/799087041.db2.gz FGVDIFWOZXPOIP-UHFFFAOYSA-N 0 3 318.417 2.070 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(C)(C)C2CC2)(COC)CC1 ZINC001162429585 799087117 /nfs/dbraw/zinc/08/71/17/799087117.db2.gz ZKDJAEYJSGXXHY-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)CC(=C)C)(COC)CC1 ZINC001162428805 799087375 /nfs/dbraw/zinc/08/73/75/799087375.db2.gz LFIVXGXENUHIPW-INIZCTEOSA-N 0 3 306.450 2.067 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2(COC)CCN(CC#CC)CC2)C1 ZINC001162476933 799098350 /nfs/dbraw/zinc/09/83/50/799098350.db2.gz JBPJQNKTMPKXSS-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc2cnccc2c1 ZINC001162626896 799133824 /nfs/dbraw/zinc/13/38/24/799133824.db2.gz DNPZAONQQQRTGK-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)c1c(C)noc1C ZINC001114486101 799146499 /nfs/dbraw/zinc/14/64/99/799146499.db2.gz QLXAAKNJWZENDZ-KWAYOQMPSA-N 0 3 303.406 2.017 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1cc[nH]c1C ZINC001162768651 799169981 /nfs/dbraw/zinc/16/99/81/799169981.db2.gz CMWGPCNUDPXHSP-UHFFFAOYSA-N 0 3 309.413 2.231 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)C#CC(C)(C)C ZINC001162806669 799179651 /nfs/dbraw/zinc/17/96/51/799179651.db2.gz HSEXRIMFSHTPOU-UHFFFAOYSA-N 0 3 310.441 2.330 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cccc(OC)n3)C2)C1=O ZINC001137529090 799231674 /nfs/dbraw/zinc/23/16/74/799231674.db2.gz AKMSVMYJQOKFFF-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN N#Cc1ccccc1CNCC1(CCNC(=O)C(F)F)CC1 ZINC001163097844 799245255 /nfs/dbraw/zinc/24/52/55/799245255.db2.gz HKQSTEXKWMGCSX-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2sc(COC)nc2C)CC1 ZINC001006353361 799264304 /nfs/dbraw/zinc/26/43/04/799264304.db2.gz LGDCWKZHPILNII-UHFFFAOYSA-N 0 3 323.462 2.320 20 30 DEEDHN C=CCNC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001202574696 799274672 /nfs/dbraw/zinc/27/46/72/799274672.db2.gz VFBDOAJIKRPIJD-UHFFFAOYSA-N 0 3 301.434 2.426 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@@H](NCc2conc2C)C12CCC2 ZINC001202598839 799283144 /nfs/dbraw/zinc/28/31/44/799283144.db2.gz KBKWWDJDMXUXQT-HUUCEWRRSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)/C=C(\C)C1CC1)CCO2 ZINC000949038165 799288431 /nfs/dbraw/zinc/28/84/31/799288431.db2.gz LYLNBSGCNMCRHF-FYWRMAATSA-N 0 3 304.434 2.222 20 30 DEEDHN CC[C@H](CO)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000800104346 799313853 /nfs/dbraw/zinc/31/38/53/799313853.db2.gz XTNYEBDQXKPCCM-CYBMUJFWSA-N 0 3 323.824 2.256 20 30 DEEDHN C=CCOCc1nn(C)c2c1CN(CCC1CCOCC1)CC2 ZINC001202637599 799346291 /nfs/dbraw/zinc/34/62/91/799346291.db2.gz NMZDREUEYLPYEF-UHFFFAOYSA-N 0 3 319.449 2.298 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cncnc2CC)CC1 ZINC001006416231 799400803 /nfs/dbraw/zinc/40/08/03/799400803.db2.gz KSZZGZYCWUNUKJ-UHFFFAOYSA-N 0 3 302.422 2.152 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCNCc2oc(C)nc2C)cc1 ZINC001163728648 799417521 /nfs/dbraw/zinc/41/75/21/799417521.db2.gz DDSSSAGWDDWCML-UHFFFAOYSA-N 0 3 311.385 2.182 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCNCc1nc2ccccc2n1C ZINC001163948406 799462474 /nfs/dbraw/zinc/46/24/74/799462474.db2.gz HFWMLBUBORPZDN-UHFFFAOYSA-N 0 3 314.433 2.381 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2cccnc2)CC1 ZINC001164090490 799508173 /nfs/dbraw/zinc/50/81/73/799508173.db2.gz ZWWSBRFMVMAXSD-UHFFFAOYSA-N 0 3 307.825 2.253 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@]1(C)C=CCC1 ZINC001164127324 799517953 /nfs/dbraw/zinc/51/79/53/799517953.db2.gz IEYMQYFTDIUOLH-CYBMUJFWSA-N 0 3 301.228 2.347 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001164223908 799545609 /nfs/dbraw/zinc/54/56/09/799545609.db2.gz XTAAAECDYCGVGU-GJZGRUSLSA-N 0 3 318.465 2.274 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2nccc(C)n2)CC1 ZINC001164328672 799574617 /nfs/dbraw/zinc/57/46/17/799574617.db2.gz CLGZRRMFTINQTO-UHFFFAOYSA-N 0 3 308.813 2.027 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1Cc3ccccc3O1)C2 ZINC001095459378 799608121 /nfs/dbraw/zinc/60/81/21/799608121.db2.gz QUGCTSHFYMDYEU-OWSLCNJRSA-N 0 3 324.424 2.125 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@@H]2CC[C@@H](F)C2)c1 ZINC001164630794 799635919 /nfs/dbraw/zinc/63/59/19/799635919.db2.gz DYAZGKPCQBVWHX-UKRRQHHQSA-N 0 3 321.371 2.431 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c3c[nH]nc3ccc1C)C2 ZINC001095652445 799682830 /nfs/dbraw/zinc/68/28/30/799682830.db2.gz VTLAIMMXZFEDIC-COXVUDFISA-N 0 3 322.412 2.230 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC001165849710 799782244 /nfs/dbraw/zinc/78/22/44/799782244.db2.gz XCHLQGIJWMWOIM-KBPBESRZSA-N 0 3 314.857 2.430 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(F)(F)F)C2 ZINC001110979051 799807016 /nfs/dbraw/zinc/80/70/16/799807016.db2.gz OWIAACHONMOXAT-LOWDOPEQSA-N 0 3 302.340 2.320 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)CCC1 ZINC001110987470 799813023 /nfs/dbraw/zinc/81/30/23/799813023.db2.gz QUPNNPQJMRUBJD-JJXSEGSLSA-N 0 3 306.450 2.489 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932706692 799903787 /nfs/dbraw/zinc/90/37/87/799903787.db2.gz DJUVWWFGGDXKTJ-HUUCEWRRSA-N 0 3 310.438 2.119 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](OC)C(C)C)CC1 ZINC001167001716 800003782 /nfs/dbraw/zinc/00/37/82/800003782.db2.gz CTZHTTXMINCLGS-ZDUSSCGKSA-N 0 3 302.846 2.286 20 30 DEEDHN C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(C)[C@@H]3C)cc21 ZINC000933085665 800010922 /nfs/dbraw/zinc/01/09/22/800010922.db2.gz HROWOIRHUQXWQK-IUODEOHRSA-N 0 3 313.405 2.436 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)CCN1Cc1ccc(C#N)cc1 ZINC000947095203 800014402 /nfs/dbraw/zinc/01/44/02/800014402.db2.gz RHMHDVIYTFDZOG-GUYCJALGSA-N 0 3 323.400 2.064 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203814191 800125797 /nfs/dbraw/zinc/12/57/97/800125797.db2.gz HSLGABMXLZCMFN-UONOGXRCSA-N 0 3 312.841 2.349 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001203906666 800144712 /nfs/dbraw/zinc/14/47/12/800144712.db2.gz RNRXOIZOIMXBEO-UHFFFAOYSA-N 0 3 324.472 2.350 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CC)C1 ZINC001205060785 800291584 /nfs/dbraw/zinc/29/15/84/800291584.db2.gz UXYZASWVDCRRQY-IAGOWNOFSA-N 0 3 302.418 2.046 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)CSC)C[C@H]1c1cccc(F)c1 ZINC001205355902 800347353 /nfs/dbraw/zinc/34/73/53/800347353.db2.gz ZKBJGDIQDZOQRW-JKSUJKDBSA-N 0 3 320.433 2.096 20 30 DEEDHN C[C@]1(C2CC2)COCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000934477969 800368111 /nfs/dbraw/zinc/36/81/11/800368111.db2.gz PPEHEZHFMCAYCI-GOSISDBHSA-N 0 3 313.401 2.388 20 30 DEEDHN CC[C@@H]1N(Cc2cc(C#N)n(C)c2)CCC[C@]12CCC(=O)N2C ZINC001207105353 800684450 /nfs/dbraw/zinc/68/44/50/800684450.db2.gz UTNOEPSGBQBGDQ-WMZOPIPTSA-N 0 3 314.433 2.262 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001207414531 800746142 /nfs/dbraw/zinc/74/61/42/800746142.db2.gz QXQBMCPQXYIDSL-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001207679485 800805309 /nfs/dbraw/zinc/80/53/09/800805309.db2.gz AFMGTBNFXCBCJN-HNNXBMFYSA-N 0 3 306.381 2.109 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001207950336 800872390 /nfs/dbraw/zinc/87/23/90/800872390.db2.gz KDTLWQJFKMWCRW-QAPCUYQASA-N 0 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CC1=C(Oc2ccc(C(=O)CCN(C)C)cc2)C(=O)[C@@H](C)O1 ZINC001229302985 801253750 /nfs/dbraw/zinc/25/37/50/801253750.db2.gz OOHDYRFDRHDYJF-LLVKDONJSA-N 0 3 303.358 2.419 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2(C(F)(F)F)CC2)CC1 ZINC001229329794 801258729 /nfs/dbraw/zinc/25/87/29/801258729.db2.gz HCWACAAAYDZFNP-UHFFFAOYSA-N 0 3 320.355 2.112 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CC[C@H]2CCCCO2)CC1 ZINC001229409191 801273632 /nfs/dbraw/zinc/27/36/32/801273632.db2.gz FASJXVBRLHMUER-QGZVFWFLSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001210433210 801400496 /nfs/dbraw/zinc/40/04/96/801400496.db2.gz OSBNYXJBHWNXSQ-JFIYKMOQSA-N 0 3 316.445 2.429 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654315 801451946 /nfs/dbraw/zinc/45/19/46/801451946.db2.gz NXEFJCPHELQMPG-OAHLLOKOSA-N 0 3 310.438 2.378 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001210788314 801464399 /nfs/dbraw/zinc/46/43/99/801464399.db2.gz AWXJPEFTEYSOAX-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001210804033 801466887 /nfs/dbraw/zinc/46/68/87/801466887.db2.gz DRXJYXKVZKBTND-CABCVRRESA-N 0 3 311.470 2.191 20 30 DEEDHN C#CCCN(CCCNC(=O)CCCF)Cc1cccnc1 ZINC001230813878 801500685 /nfs/dbraw/zinc/50/06/85/801500685.db2.gz LSKPVLGBHFNRLL-UHFFFAOYSA-N 0 3 305.397 2.163 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001211247891 801535759 /nfs/dbraw/zinc/53/57/59/801535759.db2.gz LDWJNVQOFGIQRS-DJIMGWMZSA-N 0 3 302.393 2.027 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CNC(=O)CCC ZINC001231016063 801557054 /nfs/dbraw/zinc/55/70/54/801557054.db2.gz YQNVQISKCLKXKW-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001211376636 801557130 /nfs/dbraw/zinc/55/71/30/801557130.db2.gz MJVFJPKVQDNSKC-ZTJXHEDMSA-N 0 3 320.477 2.452 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001211438102 801565913 /nfs/dbraw/zinc/56/59/13/801565913.db2.gz DOWORTZFBAZQRU-IIDMSEBBSA-N 0 3 316.420 2.464 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2OC)C1 ZINC001213409623 801606918 /nfs/dbraw/zinc/60/69/18/801606918.db2.gz KXDUMUHLPNBEIF-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H](OC)C1 ZINC001213761583 801640890 /nfs/dbraw/zinc/64/08/90/801640890.db2.gz QJLUIEVIGHNUFP-VXGBXAGGSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@H](OC)C1 ZINC001213792689 801643536 /nfs/dbraw/zinc/64/35/36/801643536.db2.gz OCYDJECGPSWJOM-VXGBXAGGSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001231670625 801708977 /nfs/dbraw/zinc/70/89/77/801708977.db2.gz KVIATYCIHQOUDP-SFHVURJKSA-N 0 3 315.417 2.096 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001231670625 801708981 /nfs/dbraw/zinc/70/89/81/801708981.db2.gz KVIATYCIHQOUDP-SFHVURJKSA-N 0 3 315.417 2.096 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(CC)CC)C1 ZINC001215427928 801860671 /nfs/dbraw/zinc/86/06/71/801860671.db2.gz PPWPAYUJNLPZBN-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1c(N)nn(-c2cccc(CN3CCCCC3)c2F)c1N ZINC001215675497 801892783 /nfs/dbraw/zinc/89/27/83/801892783.db2.gz JVONSCZTGUYOSX-UHFFFAOYSA-N 0 3 314.368 2.033 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)COCCC)[C@H]2C1 ZINC001217463912 802078453 /nfs/dbraw/zinc/07/84/53/802078453.db2.gz VJCKOJIQXOGDTD-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN N#Cc1ccc(F)c(-c2noc(-c3ccc4c(n3)CCNC4)n2)c1 ZINC001217491826 802080811 /nfs/dbraw/zinc/08/08/11/802080811.db2.gz WXITUNAINGTLEF-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)Cc3ccc(C)o3)[C@H]2C1 ZINC001217649188 802095500 /nfs/dbraw/zinc/09/55/00/802095500.db2.gz MNEYFIKIAZHPHK-DLBZAZTESA-N 0 3 318.417 2.008 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001233489410 802130766 /nfs/dbraw/zinc/13/07/66/802130766.db2.gz ICKIEOURTQTPLB-IUODEOHRSA-N 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/nfs/dbraw/zinc/29/20/71/802292071.db2.gz AIVDKXDADHMHLP-CVEARBPZSA-N 0 3 306.406 2.109 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccoc2Cl)[C@@H](O)C1 ZINC001219523786 802340994 /nfs/dbraw/zinc/34/09/94/802340994.db2.gz ODYZDBVYDBHEQK-UHTWSYAYSA-N 0 3 312.797 2.063 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](O)C1 ZINC001219880024 802384976 /nfs/dbraw/zinc/38/49/76/802384976.db2.gz WCBIOKWXUPFDDO-CVEARBPZSA-N 0 3 319.449 2.153 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001234517525 802400665 /nfs/dbraw/zinc/40/06/65/802400665.db2.gz MJPNCXQHBBCWGT-HNNXBMFYSA-N 0 3 302.422 2.206 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220292227 802439641 /nfs/dbraw/zinc/43/96/41/802439641.db2.gz QXBMOWXIKGWDLG-WTOWPRBXSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)C2CCCCC2)[C@@H](O)C1 ZINC001220539291 802472183 /nfs/dbraw/zinc/47/21/83/802472183.db2.gz KELJHMBKXYKLRE-UAGQMJEPSA-N 0 3 308.466 2.330 20 30 DEEDHN CC[C@H](CC#N)NC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220898768 802509529 /nfs/dbraw/zinc/50/95/29/802509529.db2.gz VZPFJLYKHADXMT-CHWSQXEVSA-N 0 3 313.323 2.384 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001221027345 802521753 /nfs/dbraw/zinc/52/17/53/802521753.db2.gz FAKYEMKLBLVKAW-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(CCC)C[C@@H]1O)c1ccccc1 ZINC001221194305 802535764 /nfs/dbraw/zinc/53/57/64/802535764.db2.gz ATBHVWUYQRRONZ-KSZLIROESA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001221436114 802572472 /nfs/dbraw/zinc/57/24/72/802572472.db2.gz LBWSRPCZSJZFTD-GVDBMIGSSA-N 0 3 308.466 2.404 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221518220 802587345 /nfs/dbraw/zinc/58/73/45/802587345.db2.gz XFWZKFREXVGELG-LMMKCTJWSA-N 0 3 318.461 2.347 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(C[C@@H](C)O)C[C@H]32)CCCCC1 ZINC001222040348 802633803 /nfs/dbraw/zinc/63/38/03/802633803.db2.gz XKXHQRLRNJMNNA-BRWVUGGUSA-N 0 3 320.477 2.427 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001222641720 802720885 /nfs/dbraw/zinc/72/08/85/802720885.db2.gz RCNFMHXYXFIGRT-AWEZNQCLSA-N 0 3 310.401 2.046 20 30 DEEDHN N#Cc1ccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)cn1 ZINC001222960964 802753358 /nfs/dbraw/zinc/75/33/58/802753358.db2.gz JYGUARNRWACINS-QAQDUYKDSA-N 0 3 301.390 2.113 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(COC)CCCC2)CC1 ZINC001223405230 802787047 /nfs/dbraw/zinc/78/70/47/802787047.db2.gz WBYQXCOJNILUNV-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001223436654 802789097 /nfs/dbraw/zinc/78/90/97/802789097.db2.gz HXXCTJXPNVMDMG-ZWKOTPCHSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCC(=O)NCC1CCN(CCOCC(F)F)CC1 ZINC001224273455 802853746 /nfs/dbraw/zinc/85/37/46/802853746.db2.gz YMYOWIXUHAYAMA-UHFFFAOYSA-N 0 3 318.408 2.453 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cn2cc(C)c3ccccc32)CC1 ZINC001224836364 802908948 /nfs/dbraw/zinc/90/89/48/802908948.db2.gz NHJRLXVTIPXBRL-UHFFFAOYSA-N 0 3 323.440 2.411 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](OC)C2CCCC2)CC1 ZINC001225291497 802951308 /nfs/dbraw/zinc/95/13/08/802951308.db2.gz CJOXBGPXPKOVGI-QGZVFWFLSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCOc2ccccc2C)CC1 ZINC001225417615 802963468 /nfs/dbraw/zinc/96/34/68/802963468.db2.gz IJMBQEDDCZGULK-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)n2c(C)ccc2C)CC1 ZINC001225564034 802983387 /nfs/dbraw/zinc/98/33/87/802983387.db2.gz QDJWIIAALOMTEL-MRXNPFEDSA-N 0 3 301.434 2.127 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001225752627 803009101 /nfs/dbraw/zinc/00/91/01/803009101.db2.gz MMIWAAHHGBUFPQ-IAGOWNOFSA-N 0 3 316.449 2.131 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001225874838 803023222 /nfs/dbraw/zinc/02/32/22/803023222.db2.gz HJUUHIZYHVLCKN-UHFFFAOYSA-N 0 3 306.381 2.223 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C)cs2)CC1 ZINC001227182973 803212823 /nfs/dbraw/zinc/21/28/23/803212823.db2.gz JTTPOZUXRYBZHH-UHFFFAOYSA-N 0 3 308.447 2.453 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001227692224 803267477 /nfs/dbraw/zinc/26/74/77/803267477.db2.gz PFUAJSBASMMDHF-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cncs1 ZINC001368838769 1148704239 /nfs/dbraw/zinc/70/42/39/1148704239.db2.gz CZFOBCXIENGNIE-ZJUUUORDSA-N 0 3 320.443 2.373 20 30 DEEDHN COCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001368851952 1148717205 /nfs/dbraw/zinc/71/72/05/1148717205.db2.gz HWZOZPVYQMNBPR-NEPJUHHUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ncccc1OC)C1CC1 ZINC001419364181 1168424608 /nfs/dbraw/zinc/42/46/08/1168424608.db2.gz WMUQNHFCTMAQBO-INIZCTEOSA-N 0 3 323.824 2.331 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001419403906 1168448673 /nfs/dbraw/zinc/44/86/73/1168448673.db2.gz WZQYLCGIYWSGSJ-YUSALJHKSA-N 0 3 309.772 2.376 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)CN1CC[C@@H](C)C1 ZINC001419609069 1168667584 /nfs/dbraw/zinc/66/75/84/1168667584.db2.gz OJHOXTPFEDOQJZ-HIFRSBDPSA-N 0 3 313.873 2.051 20 30 DEEDHN C=CCn1cc2ccc(NC(=O)[C@@H](N)CCSC)cc2n1 ZINC001342903908 1150622651 /nfs/dbraw/zinc/62/26/51/1150622651.db2.gz UVWIGGVSASHBCA-ZDUSSCGKSA-N 0 3 304.419 2.241 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001573350689 947601093 /nfs/dbraw/zinc/60/10/93/947601093.db2.gz DFWSMWRTHWADIP-BBRMVZONSA-N 0 3 313.405 2.164 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001573350689 947601099 /nfs/dbraw/zinc/60/10/99/947601099.db2.gz DFWSMWRTHWADIP-BBRMVZONSA-N 0 3 313.405 2.164 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCn2cnnc2[C@@H]1C ZINC001343643311 1150759469 /nfs/dbraw/zinc/75/94/69/1150759469.db2.gz LDQUWMXUHZJSON-UONOGXRCSA-N 0 3 307.442 2.259 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC001574963515 1069310827 /nfs/dbraw/zinc/31/08/27/1069310827.db2.gz WCIZAXJBSRFDCM-WBVHZDCISA-N 0 3 302.393 2.490 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC001574971411 1069315229 /nfs/dbraw/zinc/31/52/29/1069315229.db2.gz DRLCMJSSMBDUTJ-MRXNPFEDSA-N 0 3 309.369 2.231 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001344022477 1150792821 /nfs/dbraw/zinc/79/28/21/1150792821.db2.gz JNAIPYCIBPCANX-ULQDDVLXSA-N 0 3 302.418 2.359 20 30 DEEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1N1CCCC1=O ZINC001345482415 1150891802 /nfs/dbraw/zinc/89/18/02/1150891802.db2.gz BFJMIHUKBFYAEQ-CQSZACIVSA-N 0 3 314.389 2.082 20 30 DEEDHN C=CCCCN(CC)C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001345603118 1150898351 /nfs/dbraw/zinc/89/83/51/1150898351.db2.gz NMOOQCTYTVZABW-OAHLLOKOSA-N 0 3 315.417 2.327 20 30 DEEDHN C#CCCCC(=O)N1CCC2(CC1)CN(CCCC)CCO2 ZINC001328485135 1148801508 /nfs/dbraw/zinc/80/15/08/1148801508.db2.gz DJOJEDKTXCWPCO-UHFFFAOYSA-N 0 3 306.450 2.283 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)CN(CC)CC ZINC001523802355 1069722524 /nfs/dbraw/zinc/72/25/24/1069722524.db2.gz GUVVEEWUNTUFRB-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C1CCC(C[NH2+]C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602775841 1069750985 /nfs/dbraw/zinc/75/09/85/1069750985.db2.gz UDGBCTZRKMQRGA-MRXNPFEDSA-N 0 3 313.405 2.236 20 30 DEEDHN C=C1CCC(C[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602775841 1069751001 /nfs/dbraw/zinc/75/10/01/1069751001.db2.gz UDGBCTZRKMQRGA-MRXNPFEDSA-N 0 3 313.405 2.236 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602884000 1069786897 /nfs/dbraw/zinc/78/68/97/1069786897.db2.gz PUDJCEOLSHNRNA-KMUNFCNLSA-N 0 3 317.368 2.390 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602884000 1069786907 /nfs/dbraw/zinc/78/69/07/1069786907.db2.gz PUDJCEOLSHNRNA-KMUNFCNLSA-N 0 3 317.368 2.390 20 30 DEEDHN C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1cccc(C#N)c1 ZINC001368968352 1148811045 /nfs/dbraw/zinc/81/10/45/1148811045.db2.gz QBEMYEALDAHDPS-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001603451519 1069971585 /nfs/dbraw/zinc/97/15/85/1069971585.db2.gz NTFBMAWENUFZII-JTQLQIEISA-N 0 3 302.357 2.424 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001368983130 1148817006 /nfs/dbraw/zinc/81/70/06/1148817006.db2.gz JULVYZZLOBWOIQ-LSDHHAIUSA-N 0 3 315.889 2.440 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(Oc3ccccc3)C2)CC1 ZINC001527462277 1070485234 /nfs/dbraw/zinc/48/52/34/1070485234.db2.gz XHAADVIGBNSIPB-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001529295219 1070932268 /nfs/dbraw/zinc/93/22/68/1070932268.db2.gz GJTWHRGAUHPAJG-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1cc(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001606362100 1071132699 /nfs/dbraw/zinc/13/26/99/1071132699.db2.gz YLEMPCGSTCYGCT-UHFFFAOYSA-N 0 3 310.386 2.132 20 30 DEEDHN CCCc1nc(C)c(CN[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)o1 ZINC001368551618 1148490360 /nfs/dbraw/zinc/49/03/60/1148490360.db2.gz SFBLYNUYUVDCDV-MRVWCRGKSA-N 0 3 318.421 2.080 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CN(CCOC2CCCCCC2)C1 ZINC001369074251 1148843295 /nfs/dbraw/zinc/84/32/95/1148843295.db2.gz IINTVYTVNAHRKY-HUUCEWRRSA-N 0 3 321.465 2.322 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001532145421 1071624099 /nfs/dbraw/zinc/62/40/99/1071624099.db2.gz AUZQNSLWHHGBRB-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1cc(OC)ns1 ZINC001499888960 1058348110 /nfs/dbraw/zinc/34/81/10/1058348110.db2.gz OIBMFMWRCPTFQC-CYBMUJFWSA-N 0 3 321.446 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001499936514 1058389325 /nfs/dbraw/zinc/38/93/25/1058389325.db2.gz VMWJWVROZNWTKP-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CC[C@@H]2CCCCO2)CC1 ZINC001499998043 1058421062 /nfs/dbraw/zinc/42/10/62/1058421062.db2.gz APZPDYSBZLXHOW-INIZCTEOSA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCOCCN1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460602595 1058478171 /nfs/dbraw/zinc/47/81/71/1058478171.db2.gz DHVSAGADGLKNDO-HNNXBMFYSA-N 0 3 310.438 2.406 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2csc(CC)n2)C1 ZINC001500292905 1058669445 /nfs/dbraw/zinc/66/94/45/1058669445.db2.gz OOOTUWVRYTVXAF-MRXNPFEDSA-N 0 3 307.463 2.405 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC001500416487 1058764226 /nfs/dbraw/zinc/76/42/26/1058764226.db2.gz QNLYSYWFKRPMNG-AWEZNQCLSA-N 0 3 313.873 2.051 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001500488601 1058842569 /nfs/dbraw/zinc/84/25/69/1058842569.db2.gz DNBNEPDFWVRLIA-GOSISDBHSA-N 0 3 302.418 2.454 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001500725974 1059042976 /nfs/dbraw/zinc/04/29/76/1059042976.db2.gz WTJFYLUMPLAKLE-KDOFPFPSSA-N 0 3 320.408 2.058 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cncs1)C2 ZINC001501003587 1059195450 /nfs/dbraw/zinc/19/54/50/1059195450.db2.gz TZWVJIZOMNCXEW-KKUMJFAQSA-N 0 3 317.458 2.272 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cnn(C)c1)C2 ZINC001501008228 1059198680 /nfs/dbraw/zinc/19/86/80/1059198680.db2.gz TYXYZZFAUJJZPN-UAGQMJEPSA-N 0 3 316.449 2.246 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@H](CNCc2nccn2C)CC1 ZINC001501177361 1059354293 /nfs/dbraw/zinc/35/42/93/1059354293.db2.gz JWYLMHOAOHXEMM-WKILWMFISA-N 0 3 318.465 2.399 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(CC[C@H](C)F)C1 ZINC001501327930 1059449255 /nfs/dbraw/zinc/44/92/55/1059449255.db2.gz VYJOUYYTXJDOTN-YOEHRIQHSA-N 0 3 314.445 2.280 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001501407950 1059496335 /nfs/dbraw/zinc/49/63/35/1059496335.db2.gz LWIGSCNJVQCSGE-LSDHHAIUSA-N 0 3 304.390 2.019 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(NC2CC2)nc1 ZINC001467727399 1059691516 /nfs/dbraw/zinc/69/15/16/1059691516.db2.gz FHAHMFHIOSUSJW-UHFFFAOYSA-N 0 3 302.422 2.236 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCC1 ZINC001501952837 1059799698 /nfs/dbraw/zinc/79/96/98/1059799698.db2.gz WJSJKODSCAOIIX-JKSUJKDBSA-N 0 3 320.477 2.337 20 30 DEEDHN CCCC[C@](C)(F)C(=O)NCC1(NCC#CCOC)CCC1 ZINC001501971267 1059823965 /nfs/dbraw/zinc/82/39/65/1059823965.db2.gz QLCGLWRIVADYED-INIZCTEOSA-N 0 3 312.429 2.183 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(COC(C)C)cc2)CCC1 ZINC001502025755 1059881542 /nfs/dbraw/zinc/88/15/42/1059881542.db2.gz DACUSSMEQRFBTN-UHFFFAOYSA-N 0 3 314.429 2.487 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001502150489 1060004118 /nfs/dbraw/zinc/00/41/18/1060004118.db2.gz YHVMHFDLALHKFU-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccsc1C ZINC001502192941 1060037096 /nfs/dbraw/zinc/03/70/96/1060037096.db2.gz LCXVHVVIDFQATO-UHFFFAOYSA-N 0 3 308.447 2.100 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001502353643 1060064216 /nfs/dbraw/zinc/06/42/16/1060064216.db2.gz RUPZQDMXLKYQLQ-OAHLLOKOSA-N 0 3 318.392 2.105 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001502405046 1060113931 /nfs/dbraw/zinc/11/39/31/1060113931.db2.gz QYSRWMNYZVIQFF-ROUUACIJSA-N 0 3 318.461 2.139 20 30 DEEDHN CC[C@H](C)CC(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001502541630 1060169970 /nfs/dbraw/zinc/16/99/70/1060169970.db2.gz QOQMZEJKVZDAQY-HKUYNNGSSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@](C)(C=C)CC)CC2)C1 ZINC001502846239 1060355254 /nfs/dbraw/zinc/35/52/54/1060355254.db2.gz YIAJZTDIQQUCMD-LJQANCHMSA-N 0 3 319.493 2.383 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001502905328 1060386122 /nfs/dbraw/zinc/38/61/22/1060386122.db2.gz AFXLSWJJKGMYEM-ZFWWWQNUSA-N 0 3 308.447 2.420 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C(C)(C)C1 ZINC001472057595 1060390083 /nfs/dbraw/zinc/39/00/83/1060390083.db2.gz CAOPNMOBKRZUFH-MRXNPFEDSA-N 0 3 314.433 2.084 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccnc(OC)c1 ZINC001329048496 1148860866 /nfs/dbraw/zinc/86/08/66/1148860866.db2.gz 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/nfs/dbraw/zinc/59/57/07/1060595707.db2.gz FEKBDSOQKCGDQZ-UHFFFAOYSA-N 0 3 307.357 2.117 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001505521983 1060677002 /nfs/dbraw/zinc/67/70/02/1060677002.db2.gz QAUIFABFIRONEB-HTAVTVPLSA-N 0 3 313.239 2.180 20 30 DEEDHN C#CCC1(NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCC1 ZINC001473819446 1060735498 /nfs/dbraw/zinc/73/54/98/1060735498.db2.gz FYXRKTWGVWJUNW-UHFFFAOYSA-N 0 3 322.311 2.482 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)cc1 ZINC001505919135 1061132153 /nfs/dbraw/zinc/13/21/53/1061132153.db2.gz YTGCVXZHOZRZRC-LSDHHAIUSA-N 0 3 320.408 2.363 20 30 DEEDHN C[C@H](CNC(=O)c1ccsn1)N(C)Cc1ccc(C#N)cc1 ZINC001505944472 1061160211 /nfs/dbraw/zinc/16/02/11/1061160211.db2.gz VDQVHRVMZKWFDY-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1nccc2occc21 ZINC001505966860 1061185533 /nfs/dbraw/zinc/18/55/33/1061185533.db2.gz CALMCVVKWMRXHM-CYBMUJFWSA-N 0 3 317.389 2.081 20 30 DEEDHN 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C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC12CC2 ZINC001497275431 1066002865 /nfs/dbraw/zinc/00/28/65/1066002865.db2.gz FKFBJIXRIWCFON-DOMZBBRYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCOCC(=O)N1CCC2(CC1)CN(CCCCC)CCO2 ZINC001570481180 1066089935 /nfs/dbraw/zinc/08/99/35/1066089935.db2.gz OQYFLHYIPSQIDU-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CC12CC2 ZINC001497461063 1066105857 /nfs/dbraw/zinc/10/58/57/1066105857.db2.gz UIOACTZIAVIHIF-CQSZACIVSA-N 0 3 303.431 2.358 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CNCC#Cc2ccc(F)cc2)co1 ZINC001498035171 1066472409 /nfs/dbraw/zinc/47/24/09/1066472409.db2.gz WZFKTZAFGLLRJN-ZDUSSCGKSA-N 0 3 314.360 2.487 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001498038423 1066474293 /nfs/dbraw/zinc/47/42/93/1066474293.db2.gz OQRZJKPMJXHOEF-CQDKDKBSSA-N 0 3 324.346 2.173 20 30 DEEDHN Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)CSCC#N ZINC001498227448 1066575815 /nfs/dbraw/zinc/57/58/15/1066575815.db2.gz NDOXSQRGDUXKJZ-ZDUSSCGKSA-N 0 3 323.437 2.327 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC001498348286 1066647217 /nfs/dbraw/zinc/64/72/17/1066647217.db2.gz DJHOWGINGUCEMA-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cccc2c1CCC2 ZINC001498464844 1066725983 /nfs/dbraw/zinc/72/59/83/1066725983.db2.gz KLCIBLFLEVCFHD-OAHLLOKOSA-N 0 3 316.445 2.428 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cnns2)[C@H](CC)C1 ZINC001498880882 1066937925 /nfs/dbraw/zinc/93/79/25/1066937925.db2.gz GTSCWSOVXOYTTN-TZMCWYRMSA-N 0 3 308.451 2.221 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001499100785 1067093759 /nfs/dbraw/zinc/09/37/59/1067093759.db2.gz RTOBQTRYOAEIFH-UONOGXRCSA-N 0 3 304.438 2.233 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cnc(-c2ccco2)s1 ZINC001266987087 1078482740 /nfs/dbraw/zinc/48/27/40/1078482740.db2.gz IWMXGNUJJIAXTL-NSHDSACASA-N 0 3 303.387 2.134 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cc2ccsc2[nH]1 ZINC001483368147 1078487710 /nfs/dbraw/zinc/48/77/10/1078487710.db2.gz BXXBDRQIHRMHFO-LBPRGKRZSA-N 0 3 321.446 2.482 20 30 DEEDHN CN(CCNCc1ccc(Cl)c(F)c1)C(=O)C#CC1CC1 ZINC001493536972 1078490756 /nfs/dbraw/zinc/49/07/56/1078490756.db2.gz DDKKDCIRRCYDDR-UHFFFAOYSA-N 0 3 308.784 2.441 20 30 DEEDHN C/C=C(\C)C(=O)N1CCCC[C@@H]1[C@H]1CCN(CC#CCOC)C1 ZINC001499481252 1067234178 /nfs/dbraw/zinc/23/41/78/1067234178.db2.gz NGNPJAMGEFXJCZ-LPNHVINESA-N 0 3 318.461 2.305 20 30 DEEDHN Cc1cc2cc(CNC(=O)C3CC4(C3)CNC[C@H]4C#N)ccc2[nH]1 ZINC001579642980 1067393304 /nfs/dbraw/zinc/39/33/04/1067393304.db2.gz GMPFMJFGBRZDAA-KOHRHEQBSA-N 0 3 322.412 2.232 20 30 DEEDHN C[C@H](NC[C@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1cnccn1 ZINC001267039869 1078522135 /nfs/dbraw/zinc/52/21/35/1078522135.db2.gz ZNUXONPUQALCEN-LSDHHAIUSA-N 0 3 314.433 2.025 20 30 DEEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC001580066446 1067488074 /nfs/dbraw/zinc/48/80/74/1067488074.db2.gz LIUZKVVWULLZAL-INIZCTEOSA-N 0 3 316.364 2.482 20 30 DEEDHN 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/nfs/dbraw/zinc/16/74/11/1068167411.db2.gz QAHLTEQRKBJUFW-MKXGPGLRSA-N 0 3 308.425 2.274 20 30 DEEDHN CC#CCCCC(=O)NCCN(C)Cc1cccc(N(C)C)c1 ZINC001267210921 1078669102 /nfs/dbraw/zinc/66/91/02/1078669102.db2.gz NACJQRRAKBDOHS-UHFFFAOYSA-N 0 3 315.461 2.494 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1cc(F)c(F)cc1F ZINC001571407155 1068279557 /nfs/dbraw/zinc/27/95/57/1068279557.db2.gz QAKWCXGLGUFUSK-LLVKDONJSA-N 0 3 312.335 2.106 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(CC)Cc1cc(C)sc1C ZINC001267241436 1078691926 /nfs/dbraw/zinc/69/19/26/1078691926.db2.gz XLIOFCBSSISOPA-CQSZACIVSA-N 0 3 322.474 2.341 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@H]1C ZINC001571492777 1068349000 /nfs/dbraw/zinc/34/90/00/1068349000.db2.gz IUWBOJFHSQLRJR-TZMCWYRMSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCc2cccc(F)c2F)C1 ZINC001571494897 1068352979 /nfs/dbraw/zinc/35/29/79/1068352979.db2.gz JYUAYZJVVOCUNU-ZFWWWQNUSA-N 0 3 320.383 2.500 20 30 DEEDHN Cc1cc(CN(CCCNC(=O)C#CC(C)C)C(C)C)on1 ZINC001267257688 1078702784 /nfs/dbraw/zinc/70/27/84/1078702784.db2.gz QMVUBRCMUFWNQR-UHFFFAOYSA-N 0 3 305.422 2.359 20 30 DEEDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)C1 ZINC001641319053 1078704664 /nfs/dbraw/zinc/70/46/64/1078704664.db2.gz DAFUVUBIUUFSMX-PPYMECGQSA-N 0 3 318.392 2.397 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC001571558565 1068420335 /nfs/dbraw/zinc/42/03/35/1068420335.db2.gz MHMYMQOXTLQHGT-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001483653676 1078745553 /nfs/dbraw/zinc/74/55/53/1078745553.db2.gz RSELUPFUZSLBIE-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001267304804 1078750383 /nfs/dbraw/zinc/75/03/83/1078750383.db2.gz MTQLZDZYYXSVIN-OXQOHEQNSA-N 0 3 310.441 2.352 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(COC)cc1 ZINC001317545154 1078754660 /nfs/dbraw/zinc/75/46/60/1078754660.db2.gz DBYQDLNZVBZFTP-UHFFFAOYSA-N 0 3 302.418 2.298 20 30 DEEDHN 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/nfs/dbraw/zinc/91/26/14/1078912614.db2.gz XICYRUWVFPVDNK-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnn(CCF)c1)c1ccccc1 ZINC001267520223 1078949685 /nfs/dbraw/zinc/94/96/85/1078949685.db2.gz KIFCOIPYGVROFU-MRXNPFEDSA-N 0 3 316.380 2.099 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)Cc1cnccc1C)c1ccccc1 ZINC001267520889 1078950922 /nfs/dbraw/zinc/95/09/22/1078950922.db2.gz OHXVQAQESXTXNX-IBGZPJMESA-N 0 3 321.424 2.403 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnc(C)nc3)CC2)C1=O ZINC001272558617 1078961503 /nfs/dbraw/zinc/96/15/03/1078961503.db2.gz OZBWKQBTUXQMBV-SFHVURJKSA-N 0 3 314.433 2.176 20 30 DEEDHN C=CCCC(=O)NCC[C@H]1CCN(Cc2cccc(OC)n2)C1 ZINC001267554905 1078987274 /nfs/dbraw/zinc/98/72/74/1078987274.db2.gz KGKYWFWZHBMOLN-HNNXBMFYSA-N 0 3 317.433 2.385 20 30 DEEDHN Cc1cnccc1CC(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001493547027 1079005782 /nfs/dbraw/zinc/00/57/82/1079005782.db2.gz YZGSZBSXTRXBEU-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)ccc1C)CC2 ZINC001272617507 1079013319 /nfs/dbraw/zinc/01/33/19/1079013319.db2.gz ZPYANYSJJYYDHD-KRWDZBQOSA-N 0 3 314.404 2.486 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)ccc1C ZINC001272617019 1079014312 /nfs/dbraw/zinc/01/43/12/1079014312.db2.gz RDPMTJZCAIQLOJ-IAGOWNOFSA-N 0 3 300.377 2.333 20 30 DEEDHN N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272619542 1079016987 /nfs/dbraw/zinc/01/69/87/1079016987.db2.gz WTWPPFTZXNKDNV-GOSISDBHSA-N 0 3 313.401 2.263 20 30 DEEDHN N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272619542 1079016993 /nfs/dbraw/zinc/01/69/93/1079016993.db2.gz WTWPPFTZXNKDNV-GOSISDBHSA-N 0 3 313.401 2.263 20 30 DEEDHN Cc1nn(C)cc1[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC001645852882 1079028029 /nfs/dbraw/zinc/02/80/29/1079028029.db2.gz BKIRFBDQWJHVJZ-LBPRGKRZSA-N 0 3 311.389 2.280 20 30 DEEDHN C=C(C)CCC(=O)NCCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001351556190 1151572637 /nfs/dbraw/zinc/57/26/37/1151572637.db2.gz JTZNGOOXPQGPIO-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN CC[C@@H](CC(=O)NCC1(NCC#CCOC)CC1)C(C)(C)C ZINC001670885470 1079068860 /nfs/dbraw/zinc/06/88/60/1079068860.db2.gz RUNJRMPBDBITQR-HNNXBMFYSA-N 0 3 308.466 2.337 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC001646033684 1079084072 /nfs/dbraw/zinc/08/40/72/1079084072.db2.gz NYIUJBDWBSFCLN-USZNOCQGSA-N 0 3 322.758 2.470 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CC1CCOCC1)C(C)C ZINC001419858223 1079115520 /nfs/dbraw/zinc/11/55/20/1079115520.db2.gz BWCDGTDZFWSFNY-CQSZACIVSA-N 0 3 302.846 2.286 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(OC)c(F)c1 ZINC001481048583 1079124734 /nfs/dbraw/zinc/12/47/34/1079124734.db2.gz ZPAISWSZZLGIFU-CQSZACIVSA-N 0 3 306.381 2.143 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCOC ZINC001483812538 1079136631 /nfs/dbraw/zinc/13/66/31/1079136631.db2.gz URDCBCZMYUKFNH-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)OCC(C)C)C2)C1 ZINC001483829104 1079140929 /nfs/dbraw/zinc/14/09/29/1079140929.db2.gz GWAPWYNYPLETQR-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN CC[C@H](C)CCC(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001483846866 1079148888 /nfs/dbraw/zinc/14/88/88/1079148888.db2.gz CTNZNBNLFLKPBZ-PKOBYXMFSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCN(CCc2csc(C)n2)C1 ZINC001481091886 1079174332 /nfs/dbraw/zinc/17/43/32/1079174332.db2.gz WNTUCDSBFSHIJQ-OAHLLOKOSA-N 0 3 319.474 2.236 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN([C@H](CCCC)C(N)=O)C1 ZINC001481104624 1079189412 /nfs/dbraw/zinc/18/94/12/1079189412.db2.gz DDHRIGLVBLCLIB-LSDHHAIUSA-N 0 3 323.481 2.071 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ocnc2C)C[C@H]1C ZINC001483906361 1079188811 /nfs/dbraw/zinc/18/88/11/1079188811.db2.gz SUADBENYHNMZGG-UKRRQHHQSA-N 0 3 303.406 2.256 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001481109612 1079194671 /nfs/dbraw/zinc/19/46/71/1079194671.db2.gz BNCVDJODXPVRSL-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccnc(OC2CCC2)c1 ZINC001481150891 1079259263 /nfs/dbraw/zinc/25/92/63/1079259263.db2.gz YYSTUGCKCMONEA-UHFFFAOYSA-N 0 3 315.417 2.088 20 30 DEEDHN CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H](CC#N)C1 ZINC001646717507 1074573808 /nfs/dbraw/zinc/57/38/08/1074573808.db2.gz LENDOMIAPSRQRS-CABCVRRESA-N 0 3 316.453 2.237 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc2c(c1)CCOC2)C1CC1 ZINC001481177490 1079294698 /nfs/dbraw/zinc/29/46/98/1079294698.db2.gz GTZATDSRHFJNJV-UHFFFAOYSA-N 0 3 300.402 2.140 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@](C)(CNCc2ccn(C)n2)C1 ZINC001484097241 1079302333 /nfs/dbraw/zinc/30/23/33/1079302333.db2.gz UFVABZISXJQHDH-KRWDZBQOSA-N 0 3 304.438 2.105 20 30 DEEDHN CCO[C@@H]1COCC[C@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001646917021 1074693747 /nfs/dbraw/zinc/69/37/47/1074693747.db2.gz AIGJFWLWISFVRW-JVLSTEMRSA-N 0 3 324.327 2.368 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2coc(C(C)(C)C)n2)CC1 ZINC001484136440 1079317420 /nfs/dbraw/zinc/31/74/20/1079317420.db2.gz HOBKATXIHJTQFQ-UHFFFAOYSA-N 0 3 317.433 2.437 20 30 DEEDHN C=C(C)CN(CCNC(=O)CN1CCc2ccccc21)C1CC1 ZINC001481197612 1079327093 /nfs/dbraw/zinc/32/70/93/1079327093.db2.gz PJYSGYRVKZUGLR-UHFFFAOYSA-N 0 3 313.445 2.206 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001484165154 1079339052 /nfs/dbraw/zinc/33/90/52/1079339052.db2.gz NHZYJDGSMWPHGY-MAUKXSAKSA-N 0 3 318.465 2.318 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001484169593 1079341826 /nfs/dbraw/zinc/34/18/26/1079341826.db2.gz XOSULLJRMOGKPU-INIZCTEOSA-N 0 3 324.375 2.203 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC001267653863 1079344910 /nfs/dbraw/zinc/34/49/10/1079344910.db2.gz ZNWCOFUBODMPKO-OAHLLOKOSA-N 0 3 304.438 2.057 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H](F)C(C)C)C1 ZINC001484199489 1079356402 /nfs/dbraw/zinc/35/64/02/1079356402.db2.gz WUBCLZZRSUCVST-CHWSQXEVSA-N 0 3 304.356 2.077 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@H](C)C2)c1 ZINC001559761098 1075128137 /nfs/dbraw/zinc/12/81/37/1075128137.db2.gz IPJIMAILDVRQTA-AWEZNQCLSA-N 0 3 313.401 2.438 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cc(C)sc2C)C1 ZINC001484224192 1079361189 /nfs/dbraw/zinc/36/11/89/1079361189.db2.gz FQFHOQUILAGDLU-INIZCTEOSA-N 0 3 308.447 2.108 20 30 DEEDHN N#Cc1ncn(CCNCc2cccc(Oc3ccccn3)c2)n1 ZINC001560819839 1075146232 /nfs/dbraw/zinc/14/62/32/1075146232.db2.gz CJCGBIFFPCFZRM-UHFFFAOYSA-N 0 3 320.356 2.127 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001565850426 1075197450 /nfs/dbraw/zinc/19/74/50/1075197450.db2.gz KZWYKAUSOZRGSC-HVOFVXBASA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccccc2OCC)[C@H]1C ZINC001566111540 1075230404 /nfs/dbraw/zinc/23/04/04/1075230404.db2.gz JXOCWUKMGSWPMH-CABCVRRESA-N 0 3 318.417 2.229 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001566505931 1075263872 /nfs/dbraw/zinc/26/38/72/1075263872.db2.gz CSRYQQDUFMJHJI-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCCC(=O)N(CC)CC)CC1 ZINC001566612927 1075296572 /nfs/dbraw/zinc/29/65/72/1075296572.db2.gz NFSLPDHYCKLTDE-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001566645952 1075304199 /nfs/dbraw/zinc/30/41/99/1075304199.db2.gz CONGVMAREGBESF-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001566663036 1075308349 /nfs/dbraw/zinc/30/83/49/1075308349.db2.gz LXUYTDNQSNGZMB-GOSISDBHSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001566773625 1075341212 /nfs/dbraw/zinc/34/12/12/1075341212.db2.gz RWGSAOSJMJMZIP-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2oc(CC)nc2C)C1 ZINC001566799916 1075348091 /nfs/dbraw/zinc/34/80/91/1075348091.db2.gz RONJZMMNICDHDZ-JOCQHMNTSA-N 0 3 305.422 2.494 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1)[C@@H]1CC12CC2 ZINC001566853008 1075362774 /nfs/dbraw/zinc/36/27/74/1075362774.db2.gz PABJRYMYSJIGIG-BBWFWOEESA-N 0 3 312.388 2.214 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C2(CCOCC)CCC2)C1 ZINC001566873410 1075368789 /nfs/dbraw/zinc/36/87/89/1075368789.db2.gz FDFFVKFZASGYTD-QGZVFWFLSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)N[C@H](C)c1ccccc1F ZINC001567016469 1075416774 /nfs/dbraw/zinc/41/67/74/1075416774.db2.gz ZGPQKIXCRDPJOQ-UONOGXRCSA-N 0 3 306.381 2.021 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N1CCCCCC1 ZINC001567020593 1075418568 /nfs/dbraw/zinc/41/85/68/1075418568.db2.gz WEMIUKICFHRRLB-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)NCC(=O)NC(CC)CC)CC1 ZINC001567050535 1075422886 /nfs/dbraw/zinc/42/28/86/1075422886.db2.gz BTGGNAHJEDCEPR-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CNCc2nccs2)C1 ZINC001567120184 1075436705 /nfs/dbraw/zinc/43/67/05/1075436705.db2.gz ZTDWCCODJSZOKY-CQSZACIVSA-N 0 3 305.447 2.275 20 30 DEEDHN C#CCCCC(=O)N1CCC(CN(C)Cc2cnoc2C)CC1 ZINC001267725245 1079414194 /nfs/dbraw/zinc/41/41/94/1079414194.db2.gz WDWKEVCVIIIOBO-UHFFFAOYSA-N 0 3 317.433 2.457 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H](NCc2cc(OC)no2)C1 ZINC001567163871 1075449671 /nfs/dbraw/zinc/44/96/71/1075449671.db2.gz ZLUYHNWDRFGIIA-CHWSQXEVSA-N 0 3 307.394 2.166 20 30 DEEDHN C=CCCC(=O)NCCC[C@H]1CCCN1CC(=O)NC(C)(C)C ZINC001567248194 1075474219 /nfs/dbraw/zinc/47/42/19/1075474219.db2.gz VVSXVPUFURDCHM-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1CC(=O)NC(C)C ZINC001567256513 1075476447 /nfs/dbraw/zinc/47/64/47/1075476447.db2.gz GUSGZGJXYYFOIL-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1ccc(CN(C)CCNC(=O)CSCC#N)cc1C ZINC001567270638 1075482571 /nfs/dbraw/zinc/48/25/71/1075482571.db2.gz GROLXVLGFQIJNX-UHFFFAOYSA-N 0 3 305.447 2.108 20 30 DEEDHN Cc1cccc(OCCN(C)CCNC(=O)C#CC(C)C)c1 ZINC001567279623 1075486826 /nfs/dbraw/zinc/48/68/26/1075486826.db2.gz CCMGFTLYJGUTFG-UHFFFAOYSA-N 0 3 302.418 2.081 20 30 DEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H](F)C2)c1 ZINC001650165361 1079431923 /nfs/dbraw/zinc/43/19/23/1079431923.db2.gz ZEETZLATLRZUCN-ZIAGYGMSSA-N 0 3 310.394 2.202 20 30 DEEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)CCc1c(F)cccc1F ZINC001329433956 1148894894 /nfs/dbraw/zinc/89/48/94/1148894894.db2.gz ZXYPBWAVFLSCBA-CYBMUJFWSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@H](c1ccco1)N(CC)CC ZINC001587915355 1076429738 /nfs/dbraw/zinc/42/97/38/1076429738.db2.gz JTGHNUVDPAOWHC-OAHLLOKOSA-N 0 3 315.421 2.332 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588426359 1076447631 /nfs/dbraw/zinc/44/76/31/1076447631.db2.gz UXUJCRHVEICZKF-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588426359 1076447636 /nfs/dbraw/zinc/44/76/36/1076447636.db2.gz UXUJCRHVEICZKF-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588426359 1076447641 /nfs/dbraw/zinc/44/76/41/1076447641.db2.gz UXUJCRHVEICZKF-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588426359 1076447645 /nfs/dbraw/zinc/44/76/45/1076447645.db2.gz UXUJCRHVEICZKF-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCC[C@@H](O)C[NH2+]C(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579529 1076455322 /nfs/dbraw/zinc/45/53/22/1076455322.db2.gz NUENDJFIBSPIRD-CQSZACIVSA-N 0 3 301.394 2.019 20 30 DEEDHN C=CCC[C@@H](O)C[NH2+]C(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579529 1076455325 /nfs/dbraw/zinc/45/53/25/1076455325.db2.gz NUENDJFIBSPIRD-CQSZACIVSA-N 0 3 301.394 2.019 20 30 DEEDHN N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592672064 1076948984 /nfs/dbraw/zinc/94/89/84/1076948984.db2.gz BNMMAZZNGUBFDK-KOLCDFICSA-N 0 3 302.769 2.302 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@]12CCOC2 ZINC001272682011 1079566548 /nfs/dbraw/zinc/56/65/48/1079566548.db2.gz FPSZXOITTSSZMQ-MJGOQNOKSA-N 0 3 314.429 2.347 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCCOC2)cc1 ZINC001272682137 1079567653 /nfs/dbraw/zinc/56/76/53/1079567653.db2.gz IDJTXRXQHVTHPY-QAPCUYQASA-N 0 3 314.429 2.403 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001484392748 1079587998 /nfs/dbraw/zinc/58/79/98/1079587998.db2.gz BPTQWRHXWUFASC-MGPQQGTHSA-N 0 3 320.462 2.315 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CN(Cc3scnc3C)C[C@H]2C1 ZINC001484405892 1079590398 /nfs/dbraw/zinc/59/03/98/1079590398.db2.gz ABTSVXQVLRVQCL-GASCZTMLSA-N 0 3 317.458 2.145 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1 ZINC001267936351 1079617372 /nfs/dbraw/zinc/61/73/72/1079617372.db2.gz MNRYXEYSCYMKMI-ZHACJKMWSA-N 0 3 307.397 2.457 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)Cc2cccnc2C)cc1 ZINC001267938632 1079620046 /nfs/dbraw/zinc/62/00/46/1079620046.db2.gz DIGWMZYJQFTFMM-UHFFFAOYSA-N 0 3 321.424 2.362 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)COCC2CC2)cc1 ZINC001484559753 1079660101 /nfs/dbraw/zinc/66/01/01/1079660101.db2.gz KPNFOXFTCPKMGH-OAHLLOKOSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2c(C)nn(C)c2C)cc1 ZINC001484560114 1079660677 /nfs/dbraw/zinc/66/06/77/1079660677.db2.gz 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C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNCc1ccn(C)n1 ZINC001268761117 1080974710 /nfs/dbraw/zinc/97/47/10/1080974710.db2.gz ALXFTBZPLWNWSP-GOEBONIOSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCC[C@H]1CNCc1cnns1 ZINC001268767531 1080976819 /nfs/dbraw/zinc/97/68/19/1080976819.db2.gz PXHYXOACDSMBPM-JSGCOSHPSA-N 0 3 308.451 2.269 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCOc2ccccc2C)C1 ZINC001665026300 1080984692 /nfs/dbraw/zinc/98/46/92/1080984692.db2.gz RBMCMDYWZPIQBE-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)c1cc(C#N)c[nH]1 ZINC001268800167 1080997340 /nfs/dbraw/zinc/99/73/40/1080997340.db2.gz QFYUQMHYMITOTM-UHFFFAOYSA-N 0 3 321.384 2.010 20 30 DEEDHN C#CCCN1CC(CNC(=O)CO[C@H]2CCCC[C@@H]2CC)C1 ZINC001268828963 1081010574 /nfs/dbraw/zinc/01/05/74/1081010574.db2.gz RPQUUIGEIMRCQG-IRXDYDNUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#C[C@@H](CO)N[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC001665354352 1081017815 /nfs/dbraw/zinc/01/78/15/1081017815.db2.gz BJBWESRDWKDECM-ONGXEEELSA-N 0 3 300.171 2.103 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCO1 ZINC001665409296 1081024438 /nfs/dbraw/zinc/02/44/38/1081024438.db2.gz FNEYBQSILPQLAS-YESZJQIVSA-N 0 3 304.434 2.034 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC001665456748 1081030179 /nfs/dbraw/zinc/03/01/79/1081030179.db2.gz NZKWFJWEZWCRDM-KRWDZBQOSA-N 0 3 313.445 2.247 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCCO1 ZINC001268939812 1081051078 /nfs/dbraw/zinc/05/10/78/1081051078.db2.gz RZNUTHPAANCUHL-YESZJQIVSA-N 0 3 304.434 2.034 20 30 DEEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001665714893 1081069957 /nfs/dbraw/zinc/06/99/57/1081069957.db2.gz JTWTVAMLFLSCAH-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CCN(CCn2cccn2)C1 ZINC001665726390 1081070515 /nfs/dbraw/zinc/07/05/15/1081070515.db2.gz OYQXHQUKUWAJRI-IAGOWNOFSA-N 0 3 318.465 2.408 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCC(=O)N1CCCC[C@@H]1C ZINC001665828228 1081086696 /nfs/dbraw/zinc/08/66/96/1081086696.db2.gz LCNYSGZZXISECW-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCOc2c(C)cccc2C)C1 ZINC001269029572 1081089876 /nfs/dbraw/zinc/08/98/76/1081089876.db2.gz ALNHTWSFJLYXBK-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC001673478872 1081124509 /nfs/dbraw/zinc/12/45/09/1081124509.db2.gz RZRBPSLHSMJDTR-UHFFFAOYSA-N 0 3 321.490 2.397 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@@H](OC)[C@@H](C)CC)cc1 ZINC001666337473 1081145358 /nfs/dbraw/zinc/14/53/58/1081145358.db2.gz GOYZQAAKIHVLJC-YOEHRIQHSA-N 0 3 302.418 2.087 20 30 DEEDHN CC(C)C#CC(=O)N1CCC2(CN(C[C@H]3CC[C@H](C)O3)C2)CC1 ZINC001666821232 1081183635 /nfs/dbraw/zinc/18/36/35/1081183635.db2.gz KGRYSCBVEXWNON-DLBZAZTESA-N 0 3 318.461 2.138 20 30 DEEDHN Cc1cnccc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666893971 1081191109 /nfs/dbraw/zinc/19/11/09/1081191109.db2.gz QFYCJWFTTGHJPF-QGZVFWFLSA-N 0 3 321.424 2.492 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC(C)(C)C ZINC001666914755 1081192840 /nfs/dbraw/zinc/19/28/40/1081192840.db2.gz XNALUIIVCWKTKS-KBPBESRZSA-N 0 3 311.470 2.082 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001269281822 1081196790 /nfs/dbraw/zinc/19/67/90/1081196790.db2.gz UWAQWEIOQDWGKC-HOTGVXAUSA-N 0 3 320.433 2.194 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2)C1 ZINC001269292431 1081200729 /nfs/dbraw/zinc/20/07/29/1081200729.db2.gz MTSVXFQRBJAPHS-QGZVFWFLSA-N 0 3 320.408 2.104 20 30 DEEDHN CC[C@@H](CNC(=O)COC(C)C)NCC#Cc1ccc(F)cc1 ZINC001269377085 1081232868 /nfs/dbraw/zinc/23/28/68/1081232868.db2.gz BFITZBKCRVAMDU-KRWDZBQOSA-N 0 3 320.408 2.087 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccnn1CC)NCC#Cc1ccccc1 ZINC001269399295 1081238133 /nfs/dbraw/zinc/23/81/33/1081238133.db2.gz ZQCCHXLCJZBKOX-KRWDZBQOSA-N 0 3 324.428 2.053 20 30 DEEDHN CC[C@H](CNC(=O)c1nocc1C)NCC#Cc1ccccc1 ZINC001269491933 1081265204 /nfs/dbraw/zinc/26/52/04/1081265204.db2.gz GTDWLQGNCSRFBZ-MRXNPFEDSA-N 0 3 311.385 2.133 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)C[C@H](O)CC(F)(F)F ZINC001667619739 1081268446 /nfs/dbraw/zinc/26/84/46/1081268446.db2.gz YOAQQMPPSBPAJR-OCCSQVGLSA-N 0 3 324.387 2.292 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCCOC)C1 ZINC001269556805 1081289115 /nfs/dbraw/zinc/28/91/15/1081289115.db2.gz OGHJDKPNQFKTJQ-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN Cc1noc(C)c1CNC[C@@](C)(NC(=O)C#CC(C)C)C1CC1 ZINC001269614204 1081307332 /nfs/dbraw/zinc/30/73/32/1081307332.db2.gz GIVDCELRQHFIEJ-GOSISDBHSA-N 0 3 317.433 2.325 20 30 DEEDHN Cc1noc(C)c1CNC[C@](C)(NC(=O)C#CC(C)C)C1CC1 ZINC001269614205 1081307351 /nfs/dbraw/zinc/30/73/51/1081307351.db2.gz GIVDCELRQHFIEJ-SFHVURJKSA-N 0 3 317.433 2.325 20 30 DEEDHN C[C@](CNCC#Cc1ccccc1)(NC(=O)c1cnco1)C1CC1 ZINC001269625818 1081312723 /nfs/dbraw/zinc/31/27/23/1081312723.db2.gz CTEJNBKKQUFONH-LJQANCHMSA-N 0 3 323.396 2.214 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNCc2cc(C)n(C)n2)CC1 ZINC001668197777 1081326286 /nfs/dbraw/zinc/32/62/86/1081326286.db2.gz QWKBAMFQXLUPMN-AWEZNQCLSA-N 0 3 318.465 2.459 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001668549960 1081367674 /nfs/dbraw/zinc/36/76/74/1081367674.db2.gz NTRKIBOUPSJYEJ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)CC1CC1 ZINC001482248924 1081390266 /nfs/dbraw/zinc/39/02/66/1081390266.db2.gz SUGZLESLFWOMRP-CQSZACIVSA-N 0 3 302.393 2.414 20 30 DEEDHN Cc1ccc(CC(=O)NC/C=C\CNCc2ccc(C#N)cc2)o1 ZINC001668780154 1081395920 /nfs/dbraw/zinc/39/59/20/1081395920.db2.gz OLHQIPDWFKMCJV-IHWYPQMZSA-N 0 3 323.396 2.464 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001668967381 1081414133 /nfs/dbraw/zinc/41/41/33/1081414133.db2.gz UGVSHKUNJRXWOP-SNAWJCMRSA-N 0 3 300.189 2.220 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)C(C)(C)CC(C)(C)C ZINC001669201350 1081437797 /nfs/dbraw/zinc/43/77/97/1081437797.db2.gz OIGMJCBIJLDNLL-BQYQJAHWSA-N 0 3 308.466 2.361 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001669255885 1081441673 /nfs/dbraw/zinc/44/16/73/1081441673.db2.gz PZCZKBJCOCBKAS-SNVBAGLBSA-N 0 3 302.827 2.198 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)N[C@H](C)CCC ZINC001270113683 1081453948 /nfs/dbraw/zinc/45/39/48/1081453948.db2.gz UBJIRRGRIFHULI-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@H]2CC23CCC3)CC1 ZINC001270144115 1081459787 /nfs/dbraw/zinc/45/97/87/1081459787.db2.gz KTQLBAWFFDGCHU-QGZVFWFLSA-N 0 3 318.461 2.045 20 30 DEEDHN CC(C)=CC(=O)N[C@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001669766500 1081466576 /nfs/dbraw/zinc/46/65/76/1081466576.db2.gz GTQSELFDJJUFTH-OAHLLOKOSA-N 0 3 315.417 2.492 20 30 DEEDHN C[C@@H](CN(C)C/C=C\c1ccccc1)NC(=O)CSCC#N ZINC001669776432 1081466734 /nfs/dbraw/zinc/46/67/34/1081466734.db2.gz DQUPSRQWHQIFMM-AJHXJQRKSA-N 0 3 317.458 2.393 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1csc(Cl)n1 ZINC001669909538 1081478753 /nfs/dbraw/zinc/47/87/53/1081478753.db2.gz GTMRMUJYTOCTHH-SNVBAGLBSA-N 0 3 317.842 2.049 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC001669914135 1081478806 /nfs/dbraw/zinc/47/88/06/1081478806.db2.gz YAONDQUYEXBWFE-UHFFFAOYSA-N 0 3 315.417 2.477 20 30 DEEDHN C#CCN(C(=O)[C@H]1COc2ccccc21)C1CCN(CC=C)CC1 ZINC001671508088 1081519852 /nfs/dbraw/zinc/51/98/52/1081519852.db2.gz NQMDSXXBXZPRDY-SFHVURJKSA-N 0 3 324.424 2.275 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CO[C@H](C)CC)C2 ZINC001671593487 1081524864 /nfs/dbraw/zinc/52/48/64/1081524864.db2.gz KJTFAMSGSRKVJA-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CC[C@@H](N2CCN(C(=O)[C@@](C)(CC)CCC)CC2)C1 ZINC001671603247 1081525268 /nfs/dbraw/zinc/52/52/68/1081525268.db2.gz NRGWHINFDVEUHG-MJGOQNOKSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)CCCC)CC2)C1 ZINC001671603068 1081525364 /nfs/dbraw/zinc/52/53/64/1081525364.db2.gz KLBPHLSPSJMLLQ-IAGOWNOFSA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCN1CC[C@H](N2CCN(C(=O)[C@@](C)(CC)CCC)CC2)C1 ZINC001671603245 1081525591 /nfs/dbraw/zinc/52/55/91/1081525591.db2.gz NRGWHINFDVEUHG-HKUYNNGSSA-N 0 3 319.493 2.055 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(COCC)CC1)C2 ZINC001270512458 1081540672 /nfs/dbraw/zinc/54/06/72/1081540672.db2.gz IVBMRLQYSXULOM-GOSISDBHSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001671912022 1081548705 /nfs/dbraw/zinc/54/87/05/1081548705.db2.gz FQKYHVBZIFYYHG-SFHVURJKSA-N 0 3 316.449 2.319 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCC2CCOCC2)C1 ZINC001671907833 1081549235 /nfs/dbraw/zinc/54/92/35/1081549235.db2.gz MXRCESRIZNABTP-IBGZPJMESA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2[nH]nc3ccccc32)C1 ZINC001671916262 1081549679 /nfs/dbraw/zinc/54/96/79/1081549679.db2.gz HXZSAFGFDKHDKX-LJQANCHMSA-N 0 3 324.428 2.418 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2ncc(Cl)n2C)C1 ZINC001672190725 1081565328 /nfs/dbraw/zinc/56/53/28/1081565328.db2.gz NVGHVNHTUJFJIQ-CHWSQXEVSA-N 0 3 324.856 2.366 20 30 DEEDHN Cc1nc(CNC[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)cs1 ZINC001672273908 1081576056 /nfs/dbraw/zinc/57/60/56/1081576056.db2.gz GQKDMDGWXSDCMA-DZGCQCFKSA-N 0 3 319.474 2.295 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001270649776 1081581561 /nfs/dbraw/zinc/58/15/61/1081581561.db2.gz PSNKRTLDHCYRMQ-WMZOPIPTSA-N 0 3 300.402 2.415 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001270649772 1081581720 /nfs/dbraw/zinc/58/17/20/1081581720.db2.gz PSNKRTLDHCYRMQ-FUHWJXTLSA-N 0 3 300.402 2.415 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N(CCNCCF)Cc2ccccc2)c1 ZINC001672389075 1081591972 /nfs/dbraw/zinc/59/19/72/1081591972.db2.gz WSLNFTAYRCRSRE-UHFFFAOYSA-N 0 3 314.364 2.088 20 30 DEEDHN C=CCCCN1CCC[C@@](CO)(NC(=O)[C@@H](CC)SC)C1 ZINC001672482170 1081603017 /nfs/dbraw/zinc/60/30/17/1081603017.db2.gz QURJNTGWMAGIPD-GDBMZVCRSA-N 0 3 314.495 2.037 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001095849003 1081677080 /nfs/dbraw/zinc/67/70/80/1081677080.db2.gz OMERNGNYVQZUHP-DQYPLSBCSA-N 0 3 310.401 2.474 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CCNCc2cnns2)C1 ZINC001672838904 1081710679 /nfs/dbraw/zinc/71/06/79/1081710679.db2.gz GSVYMUTWKDYUEQ-LBPRGKRZSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC001672874470 1081715153 /nfs/dbraw/zinc/71/51/53/1081715153.db2.gz GWDMNMHNBBEBCH-CYBMUJFWSA-N 0 3 310.829 2.097 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@]2(F)CCOC2)cc1 ZINC001672943189 1081724728 /nfs/dbraw/zinc/72/47/28/1081724728.db2.gz JDKOEVGNKDFXAN-KSSFIOAISA-N 0 3 318.392 2.105 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cccnn2)cc1 ZINC001672943631 1081724740 /nfs/dbraw/zinc/72/47/40/1081724740.db2.gz OYLQKUFJYLQIIF-AWEZNQCLSA-N 0 3 308.385 2.081 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)c2nnc(C)[n-]2)CC1 ZINC001672953249 1081725379 /nfs/dbraw/zinc/72/53/79/1081725379.db2.gz RMHAELAHYOQZCN-BPLDGKMQSA-N 0 3 319.453 2.405 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1cccc2c1CCN(CCCO)C2 ZINC001673080125 1081737636 /nfs/dbraw/zinc/73/76/36/1081737636.db2.gz ZJQPVRXGEGXETF-UHFFFAOYSA-N 0 3 316.445 2.256 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1cc(C(C)C)oc1C ZINC001482346928 1081746448 /nfs/dbraw/zinc/74/64/48/1081746448.db2.gz CFLWPRDLYXUHKA-AWEZNQCLSA-N 0 3 320.433 2.411 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H](C)n2cccc2)CC1 ZINC001673402528 1081766818 /nfs/dbraw/zinc/76/68/18/1081766818.db2.gz UNHAQXWYSNHQQE-IRXDYDNUSA-N 0 3 301.434 2.433 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](CC)c1c(C)noc1C ZINC001673478272 1081773039 /nfs/dbraw/zinc/77/30/39/1081773039.db2.gz FMBXGTWPTIAPMG-OAHLLOKOSA-N 0 3 305.422 2.199 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001673491621 1081776682 /nfs/dbraw/zinc/77/66/82/1081776682.db2.gz NGOCRMYOVWOJKF-HNNXBMFYSA-N 0 3 304.409 2.418 20 30 DEEDHN CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H](C)C#N ZINC001482381863 1081780460 /nfs/dbraw/zinc/78/04/60/1081780460.db2.gz ZHGXQNFOXSJFOJ-SJLPKXTDSA-N 0 3 311.429 2.318 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CCC)OCC)C2 ZINC001673650847 1081788527 /nfs/dbraw/zinc/78/85/27/1081788527.db2.gz NLRDLHAMVNDXJV-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](CO)(NCc2csc(C)c2)C1 ZINC001673660971 1081790059 /nfs/dbraw/zinc/79/00/59/1081790059.db2.gz YVGQZWMMTUKRCG-QGZVFWFLSA-N 0 3 322.474 2.466 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)OCC(C)C)C(C)(C)C1 ZINC001674008040 1081823903 /nfs/dbraw/zinc/82/39/03/1081823903.db2.gz YDSHDHWYXSLZOY-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCc2cc(OC)no2)C(C)(C)C1 ZINC001674018091 1081825909 /nfs/dbraw/zinc/82/59/09/1081825909.db2.gz JGZIRFKAZKKCTN-CQSZACIVSA-N 0 3 321.421 2.019 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)Oc2ccccn2)C(C)(C)C1 ZINC001674034211 1081830610 /nfs/dbraw/zinc/83/06/10/1081830610.db2.gz QMGAPQLBACFEGL-HUUCEWRRSA-N 0 3 317.433 2.252 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001674283622 1081856329 /nfs/dbraw/zinc/85/63/29/1081856329.db2.gz DGEODXOUSLKGDN-IAGOWNOFSA-N 0 3 307.482 2.123 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C2(F)CCCCC2)CC1 ZINC001674330157 1081860453 /nfs/dbraw/zinc/86/04/53/1081860453.db2.gz JZOQRJCWWZHKKC-UHFFFAOYSA-N 0 3 312.429 2.178 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)COCCCC ZINC001674419828 1081868292 /nfs/dbraw/zinc/86/82/92/1081868292.db2.gz IGVYGMIZPIPMSS-IEBWSBKVSA-N 0 3 314.429 2.198 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001674499832 1081883143 /nfs/dbraw/zinc/88/31/43/1081883143.db2.gz QJMUVGKSMSFVJF-XJKSGUPXSA-N 0 3 318.465 2.249 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(F)cc1NC(C)=O ZINC001496713652 1081886345 /nfs/dbraw/zinc/88/63/45/1081886345.db2.gz CRYGCYCNILRRCT-UHFFFAOYSA-N 0 3 321.396 2.364 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001271067743 1081894996 /nfs/dbraw/zinc/89/49/96/1081894996.db2.gz KCHRSHYXGPBYTJ-GFCCVEGCSA-N 0 3 307.442 2.077 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@H](C)C2CCC2)CC1 ZINC001266267216 1081927980 /nfs/dbraw/zinc/92/79/80/1081927980.db2.gz SVTHORUOMRKVLL-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)CC2(C)CCCC2)CC1 ZINC001266283123 1081939520 /nfs/dbraw/zinc/93/95/20/1081939520.db2.gz FNEJIHIMLSNGEN-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2ccn(C)n2)C1 ZINC001482473999 1081954742 /nfs/dbraw/zinc/95/47/42/1081954742.db2.gz BFVPFCJXHLSFFC-HOTGVXAUSA-N 0 3 318.465 2.493 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC001266319933 1081968918 /nfs/dbraw/zinc/96/89/18/1081968918.db2.gz VVUKWEBQZGHGPI-GJZGRUSLSA-N 0 3 310.388 2.416 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001266327886 1081975083 /nfs/dbraw/zinc/97/50/83/1081975083.db2.gz NSBAMSQZSJNXRQ-DOMZBBRYSA-N 0 3 304.438 2.287 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H](NCc1ccc(F)cn1)C1CC1 ZINC001266409970 1082026244 /nfs/dbraw/zinc/02/62/44/1082026244.db2.gz VFVUDGAUZARNNG-INIZCTEOSA-N 0 3 317.408 2.255 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NCc2cnns2)C1 ZINC001271491505 1082062275 /nfs/dbraw/zinc/06/22/75/1082062275.db2.gz RYRQPMZTGOBGHB-STQMWFEESA-N 0 3 308.451 2.221 20 30 DEEDHN Cc1cnc(CNCC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)s1 ZINC001271506290 1082068788 /nfs/dbraw/zinc/06/87/88/1082068788.db2.gz XOFYROUPMORDNX-OCCSQVGLSA-N 0 3 320.462 2.472 20 30 DEEDHN Cc1cnc(CNCC[C@H]2CCCCN2C(=O)[C@H](C)C#N)s1 ZINC001271506291 1082069146 /nfs/dbraw/zinc/06/91/46/1082069146.db2.gz XOFYROUPMORDNX-TZMCWYRMSA-N 0 3 320.462 2.472 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCOc1cccc(OC)c1 ZINC001266495648 1082074484 /nfs/dbraw/zinc/07/44/84/1082074484.db2.gz QKZUTJPWNBXVNU-HNNXBMFYSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(OC)no2)C1 ZINC001271625798 1082093622 /nfs/dbraw/zinc/09/36/22/1082093622.db2.gz JGQMZLKEVIZVPX-ZIAGYGMSSA-N 0 3 321.421 2.366 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001286090446 1082106891 /nfs/dbraw/zinc/10/68/91/1082106891.db2.gz BDUWCSDHAOFYGQ-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001286090448 1082107356 /nfs/dbraw/zinc/10/73/56/1082107356.db2.gz BDUWCSDHAOFYGQ-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C(=O)c1cccc(F)c1)C1CCN(CCOC)CC1 ZINC001671450623 1082122186 /nfs/dbraw/zinc/12/21/86/1082122186.db2.gz PVUGETCXDDRGIK-UHFFFAOYSA-N 0 3 318.392 2.012 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001266559471 1082157194 /nfs/dbraw/zinc/15/71/94/1082157194.db2.gz BGCOQEHZCDGHJB-IBGZPJMESA-N 0 3 324.424 2.100 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](NCc1ccccc1F)C(C)C ZINC001482529272 1082161093 /nfs/dbraw/zinc/16/10/93/1082161093.db2.gz CMZNQGFISZRGBN-WMLDXEAASA-N 0 3 320.408 2.094 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CN(Cc3ocnc3C)C[C@H]2C1 ZINC001271845028 1082170475 /nfs/dbraw/zinc/17/04/75/1082170475.db2.gz GMJRHYIDNZVBEW-IYBDPMFKSA-N 0 3 315.417 2.067 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001266596170 1082182349 /nfs/dbraw/zinc/18/23/49/1082182349.db2.gz VGJYXOUJKBLJDH-AVGNSLFASA-N 0 3 313.405 2.163 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001271977055 1082217211 /nfs/dbraw/zinc/21/72/11/1082217211.db2.gz IBHKTJHNXVLAMB-UHFFFAOYSA-N 0 3 304.434 2.396 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001670713933 1082241450 /nfs/dbraw/zinc/24/14/50/1082241450.db2.gz MWHCTWNEKQORDJ-HUUCEWRRSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001670719127 1082250751 /nfs/dbraw/zinc/25/07/51/1082250751.db2.gz KUUAGARVEABSIO-AAEUAGOBSA-N 0 3 308.401 2.026 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CSCCC)C1 ZINC001266656217 1082252660 /nfs/dbraw/zinc/25/26/60/1082252660.db2.gz PVPKLLUZMLNFJZ-HZPDHXFCSA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)COCCCC)C1 ZINC001266658698 1082254084 /nfs/dbraw/zinc/25/40/84/1082254084.db2.gz HMCKAPCFQPUROR-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN CC(C)Oc1ccccc1CNCCN(C)C(=O)[C@H](C)C#N ZINC001266662074 1082257920 /nfs/dbraw/zinc/25/79/20/1082257920.db2.gz KJAXIUNQAZYEJQ-CQSZACIVSA-N 0 3 303.406 2.181 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCOc1c(C)cccc1C ZINC001272028106 1082296108 /nfs/dbraw/zinc/29/61/08/1082296108.db2.gz QHQXZDDMYYEUKM-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001266708052 1082297194 /nfs/dbraw/zinc/29/71/94/1082297194.db2.gz NJPCGZSUVACHLI-MCIONIFRSA-N 0 3 319.453 2.267 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001266764601 1082329223 /nfs/dbraw/zinc/32/92/23/1082329223.db2.gz TZEPHHQEBYFCLQ-CVEARBPZSA-N 0 3 324.428 2.059 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1ncc(Cl)s1 ZINC001272068047 1082391807 /nfs/dbraw/zinc/39/18/07/1082391807.db2.gz SQSUMTJSEVZBOY-UHFFFAOYSA-N 0 3 317.842 2.003 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C(C)C)n1 ZINC001266865523 1082411274 /nfs/dbraw/zinc/41/12/74/1082411274.db2.gz WTCXZEQCWNVJKG-CQSZACIVSA-N 0 3 319.453 2.365 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266889169 1082432682 /nfs/dbraw/zinc/43/26/82/1082432682.db2.gz BWSMNQRXMJADSN-ZFWWWQNUSA-N 0 3 320.383 2.357 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2coc(C)c2)C1 ZINC001266895356 1082437109 /nfs/dbraw/zinc/43/71/09/1082437109.db2.gz ZYFKFDQEALZTPY-JKSUJKDBSA-N 0 3 318.417 2.068 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2nccnc2c1 ZINC001482895219 1082549916 /nfs/dbraw/zinc/54/99/16/1082549916.db2.gz IYUBPNPNQATMTL-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1cc[nH]c1C ZINC001482917655 1082556947 /nfs/dbraw/zinc/55/69/47/1082556947.db2.gz GPQYIISXRQNTAY-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001482976265 1082591138 /nfs/dbraw/zinc/59/11/38/1082591138.db2.gz DPUBVLYCZKHVQP-IZIWTHDTSA-N 0 3 301.365 2.115 20 30 DEEDHN N#Cc1cc(CNC/C=C\CNC(=O)[C@@H]2CC2(F)F)ccc1F ZINC001483005836 1082620510 /nfs/dbraw/zinc/62/05/10/1082620510.db2.gz HEOWQFFKJDGWBN-FYDYADQUSA-N 0 3 323.318 2.115 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001483009810 1082622184 /nfs/dbraw/zinc/62/21/84/1082622184.db2.gz HPSFMXKRENVVMD-FVNWOWOISA-N 0 3 306.450 2.400 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)c1cccc2n[n-]nc21 ZINC001483012588 1082624669 /nfs/dbraw/zinc/62/46/69/1082624669.db2.gz OZJAGQHGYINQQJ-SZZPACECSA-N 0 3 313.405 2.188 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C1([C@H]2CCCCO2)CCC1 ZINC001483034915 1082636610 /nfs/dbraw/zinc/63/66/10/1082636610.db2.gz OYVRDWGVBJOAKD-OGZRUICASA-N 0 3 304.434 2.011 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1coc(-c2ccccc2)n1 ZINC001483083357 1082696796 /nfs/dbraw/zinc/69/67/96/1082696796.db2.gz HXURTVSDITXFOI-BQYQJAHWSA-N 0 3 309.369 2.241 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001483094868 1082703759 /nfs/dbraw/zinc/70/37/59/1082703759.db2.gz GWELAAYQKKBWJE-YMEQAZQUSA-N 0 3 318.367 2.354 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccncc1 ZINC001483204246 1082806443 /nfs/dbraw/zinc/80/64/43/1082806443.db2.gz RKNGGULKDYAISJ-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)c1ccncc1F ZINC001483217828 1082819235 /nfs/dbraw/zinc/81/92/35/1082819235.db2.gz XSZDKWKGPFUOMN-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409617800 1082987898 /nfs/dbraw/zinc/98/78/98/1082987898.db2.gz ZRKSUECBNPGGSC-BBRMVZONSA-N 0 3 305.397 2.489 20 30 DEEDHN Cc1cc(C)c(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)[nH]1 ZINC001483240964 1083053144 /nfs/dbraw/zinc/05/31/44/1083053144.db2.gz OPNHOPYMRDKJQC-LBPRGKRZSA-N 0 3 316.430 2.473 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001276397779 1083376601 /nfs/dbraw/zinc/37/66/01/1083376601.db2.gz SJTBIDSCKPHIGE-HZPDHXFCSA-N 0 3 306.450 2.372 20 30 DEEDHN C#CCOCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107401190 1083380080 /nfs/dbraw/zinc/38/00/80/1083380080.db2.gz BGFBNOHOSYOPMO-PSQXPXBKSA-N 0 3 324.852 2.140 20 30 DEEDHN N#Cc1cnc(CNc2cc(Cl)nc3c2CCNC3)s1 ZINC001161003784 1083407790 /nfs/dbraw/zinc/40/77/90/1083407790.db2.gz VKDOWAACAIEEQJ-UHFFFAOYSA-N 0 3 305.794 2.321 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001077614530 1083467344 /nfs/dbraw/zinc/46/73/44/1083467344.db2.gz JORODOJRKJGTJW-DAXOMENPSA-N 0 3 322.836 2.181 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)c1ccco1 ZINC001276535144 1083483348 /nfs/dbraw/zinc/48/33/48/1083483348.db2.gz GKCHFTDTLZSFAU-KRWDZBQOSA-N 0 3 308.381 2.429 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001281184549 1083543901 /nfs/dbraw/zinc/54/39/01/1083543901.db2.gz LWEIHNQRQIATDW-LPHOPBHVSA-N 0 3 322.493 2.415 20 30 DEEDHN c1ccc(/N=C(/O[C@@H]2CN3C[C@H]2NCC3)c2ccccc2)cc1 ZINC001217804679 1083592734 /nfs/dbraw/zinc/59/27/34/1083592734.db2.gz SJALRZNDJANYLZ-MPDJFOPNSA-N 0 3 307.397 2.438 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691115 1083609493 /nfs/dbraw/zinc/60/94/93/1083609493.db2.gz RBWCEOAIOZAHHE-YJBOKZPZSA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001276930763 1083685821 /nfs/dbraw/zinc/68/58/21/1083685821.db2.gz IHRLHCHERXXDNL-CYBMUJFWSA-N 0 3 314.389 2.039 20 30 DEEDHN N#Cc1cccc(N2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)c1 ZINC001276952994 1083696914 /nfs/dbraw/zinc/69/69/14/1083696914.db2.gz DRSYIUPJSDJRDU-MAUKXSAKSA-N 0 3 320.396 2.370 20 30 DEEDHN C#CCCCN1CC2(C[C@H]2C(=O)Nc2cccc3c2OCO3)C1 ZINC001276973237 1083711655 /nfs/dbraw/zinc/71/16/55/1083711655.db2.gz MLPFBWFYEZVFKD-ZDUSSCGKSA-N 0 3 312.369 2.089 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001077714144 1083732218 /nfs/dbraw/zinc/73/22/18/1083732218.db2.gz JWFPWICMRHCGOX-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001490895302 1083852955 /nfs/dbraw/zinc/85/29/55/1083852955.db2.gz XJJISVBAYFCGJM-JOCQHMNTSA-N 0 3 305.426 2.021 20 30 DEEDHN CCCCCCCCCN1CCn2c(nnc2C(N)=O)C[C@H]1C ZINC001277232839 1083859790 /nfs/dbraw/zinc/85/97/90/1083859790.db2.gz BRZULKGHHOSBTA-CQSZACIVSA-N 0 3 321.469 2.374 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)CC(=O)NC(C)(C)CC)CC1 ZINC001277385996 1083937925 /nfs/dbraw/zinc/93/79/25/1083937925.db2.gz YEZOHMGAIKLACH-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCCC(=O)N1CCC(N(C)Cc2ccc(F)cn2)CC1 ZINC001277391572 1083941525 /nfs/dbraw/zinc/94/15/25/1083941525.db2.gz MHDPXPSFABCONJ-UHFFFAOYSA-N 0 3 317.408 2.447 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272764587 1083974462 /nfs/dbraw/zinc/97/44/62/1083974462.db2.gz BJOVIRNRVPEMTO-IBGZPJMESA-N 0 3 312.413 2.291 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272764587 1083974471 /nfs/dbraw/zinc/97/44/71/1083974471.db2.gz BJOVIRNRVPEMTO-IBGZPJMESA-N 0 3 312.413 2.291 20 30 DEEDHN N#CC1(NC(=O)[C@@]23C[C@@H]2CN(Cc2cccc(F)c2)C3)CCC1 ZINC001277486726 1084000116 /nfs/dbraw/zinc/00/01/16/1084000116.db2.gz QXIUJXSEJFBOGZ-RDTXWAMCSA-N 0 3 313.376 2.210 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491003916 1084000014 /nfs/dbraw/zinc/00/00/14/1084000014.db2.gz XYCVMVBGDZHTSO-OIISXLGYSA-N 0 3 316.470 2.274 20 30 DEEDHN C#CCNC1(CNC(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC001670896120 1084023549 /nfs/dbraw/zinc/02/35/49/1084023549.db2.gz RYXCXLYMPYXUCP-LBPRGKRZSA-N 0 3 302.443 2.358 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cncc(OC)c3)C2)C1=O ZINC001272788556 1084058144 /nfs/dbraw/zinc/05/81/44/1084058144.db2.gz KGVRIHDVCAVUGZ-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)Cc2cccc(OC)c2)C1 ZINC001491129443 1084094260 /nfs/dbraw/zinc/09/42/60/1084094260.db2.gz RXDGLYXGUDBOLA-QGZVFWFLSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001491132965 1084103913 /nfs/dbraw/zinc/10/39/13/1084103913.db2.gz IEVSCCIZVKPEFN-JTQLQIEISA-N 0 3 312.282 2.036 20 30 DEEDHN C=CCCCN1CC2(C1)SCC[C@@H]2C(=O)N1CCCCO1 ZINC001277760230 1084133203 /nfs/dbraw/zinc/13/32/03/1084133203.db2.gz QSZZXPHPCKJEMR-CQSZACIVSA-N 0 3 310.463 2.314 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@](C)(CNCc2ocnc2C)C1 ZINC001671731336 1084158982 /nfs/dbraw/zinc/15/89/82/1084158982.db2.gz XXLRMSWKRNWHOD-KRWDZBQOSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CNCC(=O)N(C(C)C)C(C)C ZINC001277824602 1084164105 /nfs/dbraw/zinc/16/41/05/1084164105.db2.gz ZJDAEOIIDAFXJZ-INIZCTEOSA-N 0 3 323.481 2.179 20 30 DEEDHN Cc1cccc(CCN2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)c1 ZINC001277862410 1084179513 /nfs/dbraw/zinc/17/95/13/1084179513.db2.gz KUJJDBOLUMJCMK-QUCCMNQESA-N 0 3 323.440 2.374 20 30 DEEDHN C=CCOCC(=O)NC1(C)CCN(Cc2ncccc2C)CC1 ZINC001671403296 1084180385 /nfs/dbraw/zinc/18/03/85/1084180385.db2.gz VTOACPRWHXUUEU-UHFFFAOYSA-N 0 3 317.433 2.063 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)N(C)C(C)C ZINC001277866627 1084183304 /nfs/dbraw/zinc/18/33/04/1084183304.db2.gz WDEPUCHQWVFYQI-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491279734 1084202930 /nfs/dbraw/zinc/20/29/30/1084202930.db2.gz FSKVKYJELOAYKA-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2cnccc2C)C1 ZINC001491287508 1084213017 /nfs/dbraw/zinc/21/30/17/1084213017.db2.gz NZEGXKHYCSWQOE-SJORKVTESA-N 0 3 313.445 2.173 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCN[C@@H](C)C(=O)NCCC(C)C ZINC001128088392 1084321238 /nfs/dbraw/zinc/32/12/38/1084321238.db2.gz WACWMSHIZSMWNB-HNNXBMFYSA-N 0 3 323.481 2.011 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@H](C)F)CCOCC1 ZINC001235160005 1084330741 /nfs/dbraw/zinc/33/07/41/1084330741.db2.gz OEXMFRALJPQLGG-JKSUJKDBSA-N 0 3 324.440 2.087 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001491470705 1084335794 /nfs/dbraw/zinc/33/57/94/1084335794.db2.gz TYBQDIRLIDCPFD-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@@H]2CCCO2)CCC1 ZINC001235208752 1084344676 /nfs/dbraw/zinc/34/46/76/1084344676.db2.gz GEHVOQYENAPJIA-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cn4ccccc4n3)C2)C1=O ZINC001272846757 1084374264 /nfs/dbraw/zinc/37/42/64/1084374264.db2.gz JQZYPWPLGICWMD-IBGZPJMESA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc2cc[nH]c2c1 ZINC001272852946 1084379473 /nfs/dbraw/zinc/37/94/73/1084379473.db2.gz DCRIXWAVWUZHBB-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C(#Cc1ccc(CN2C[C@H]3CNC[C@@H](C2)O3)cc1)c1ccccc1 ZINC001235337907 1084394760 /nfs/dbraw/zinc/39/47/60/1084394760.db2.gz LRFHLXMMKMQSTC-OYRHEFFESA-N 0 3 318.420 2.259 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@H]2CC23CCC3)CC2(CCOCC2)C1 ZINC001089959324 1084442960 /nfs/dbraw/zinc/44/29/60/1084442960.db2.gz HPSJSTIJOZMPNZ-HZPDHXFCSA-N 0 3 318.461 2.350 20 30 DEEDHN O=C(C(F)F)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001272917090 1084469310 /nfs/dbraw/zinc/46/93/10/1084469310.db2.gz NNVOEABCSAVCKZ-OAHLLOKOSA-N 0 3 306.356 2.274 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001078004029 1084484209 /nfs/dbraw/zinc/48/42/09/1084484209.db2.gz GAYVHYVJVFDRIP-ARFHVFGLSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001078110656 1084550374 /nfs/dbraw/zinc/55/03/74/1084550374.db2.gz NVMXHLQHMPIRJB-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H](C)NC(=O)CN(CC)CC)CC1 ZINC001078215809 1084592798 /nfs/dbraw/zinc/59/27/98/1084592798.db2.gz LACYUAKAJAVLJF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001078253559 1084618214 /nfs/dbraw/zinc/61/82/14/1084618214.db2.gz HDHDKDYMNIFQTC-QZTJIDSGSA-N 0 3 316.445 2.236 20 30 DEEDHN C=C(Br)CN[C@@H]1C[C@@H](NC(=O)CC)C12CCC2 ZINC001078518185 1084730930 /nfs/dbraw/zinc/73/09/30/1084730930.db2.gz HRTKFTKQUMRWEG-GHMZBOCLSA-N 0 3 301.228 2.322 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)Cc2[nH]cnc2C)C12CCC2 ZINC001078796077 1084880463 /nfs/dbraw/zinc/88/04/63/1084880463.db2.gz WMFAZFVPWUIGOQ-ZIAGYGMSSA-N 0 3 322.840 2.030 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2[nH]cnc2CC)C12CCC2 ZINC001078795020 1084899316 /nfs/dbraw/zinc/89/93/16/1084899316.db2.gz MHUDMLQSGGWGNM-OLZOCXBDSA-N 0 3 322.840 2.355 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](CO)NCc1ccc(Cl)cc1C ZINC001485991469 1085026926 /nfs/dbraw/zinc/02/69/26/1085026926.db2.gz ROOWIYNGFIGFSQ-INIZCTEOSA-N 0 3 322.836 2.019 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)N[C@H]1CCCc2ccccc21 ZINC001486024848 1085030835 /nfs/dbraw/zinc/03/08/35/1085030835.db2.gz URIPBTKMCFJRJD-RDJZCZTQSA-N 0 3 316.445 2.343 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)NCCCC)[C@H]1C ZINC001486077463 1085063141 /nfs/dbraw/zinc/06/31/41/1085063141.db2.gz CNHXZSYHOXVSDY-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](NCCF)C[C@@H]2C)cc1 ZINC001486111016 1085071473 /nfs/dbraw/zinc/07/14/73/1085071473.db2.gz YGRISPOYMPWKLY-HOCLYGCPSA-N 0 3 318.392 2.251 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cc(C)ccc2OC)C1 ZINC001486122231 1085076123 /nfs/dbraw/zinc/07/61/23/1085076123.db2.gz XIPQOMWCLOMFNW-DOTOQJQBSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCCOc2ccccc2F)C1 ZINC001486135773 1085082872 /nfs/dbraw/zinc/08/28/72/1085082872.db2.gz QQRLSKBLWNLLII-LSDHHAIUSA-N 0 3 318.392 2.197 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccccc2OC)C1 ZINC001486127448 1085094330 /nfs/dbraw/zinc/09/43/30/1085094330.db2.gz IGFMOBWJOCJADR-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2[nH]ccc2C)[C@H]1C ZINC001486171534 1085103674 /nfs/dbraw/zinc/10/36/74/1085103674.db2.gz UZRLFBIUEMKKBT-CABCVRRESA-N 0 3 305.422 2.108 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@H](CNCc2cnc(C)o2)C1 ZINC001486197330 1085124191 /nfs/dbraw/zinc/12/41/91/1085124191.db2.gz HAEBXDXAYXVWAZ-LSDHHAIUSA-N 0 3 303.406 2.161 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC001486233039 1085142202 /nfs/dbraw/zinc/14/22/02/1085142202.db2.gz CZBYCIDHWRAMRE-OAHLLOKOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccncc1F ZINC000960257635 1085167582 /nfs/dbraw/zinc/16/75/82/1085167582.db2.gz HJBJKLQGXWVXSJ-IAGOWNOFSA-N 0 3 311.360 2.392 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn(CC)n1 ZINC000960310341 1085191563 /nfs/dbraw/zinc/19/15/63/1085191563.db2.gz HEQKLXOCAOROAX-QZTJIDSGSA-N 0 3 324.428 2.465 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CCNCc2cnc(C)cn2)cc1 ZINC001272942998 1085212020 /nfs/dbraw/zinc/21/20/20/1085212020.db2.gz CHFSJZCFFRBXAJ-CQSZACIVSA-N 0 3 322.412 2.065 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H](C)c1ccccc1C ZINC001486350919 1085212827 /nfs/dbraw/zinc/21/28/27/1085212827.db2.gz MURSTFRZFXWYFN-SJORKVTESA-N 0 3 318.461 2.426 20 30 DEEDHN C=CC1(CC(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CCCCC1 ZINC001486417679 1085303748 /nfs/dbraw/zinc/30/37/48/1085303748.db2.gz RYLVKDUADYKLOD-CQSZACIVSA-N 0 3 323.481 2.119 20 30 DEEDHN C=CC1(CC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CCCCC1 ZINC001486417677 1085304794 /nfs/dbraw/zinc/30/47/94/1085304794.db2.gz RYLVKDUADYKLOD-AWEZNQCLSA-N 0 3 323.481 2.119 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c(C)oc(C)c1C)CCOC ZINC001486430180 1085306519 /nfs/dbraw/zinc/30/65/19/1085306519.db2.gz PECQJLYDOPALEG-UHFFFAOYSA-N 0 3 308.422 2.459 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CC3CC(OCC)C3)CC2)CC1 ZINC001486489439 1085367928 /nfs/dbraw/zinc/36/79/28/1085367928.db2.gz KYVHMGOAUDVLBX-UHFFFAOYSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCC(=O)NCC1=CCN(CCc2cnn(CC)c2)CC1 ZINC001486504131 1085379269 /nfs/dbraw/zinc/37/92/69/1085379269.db2.gz PRTMMWCZJCMCLW-UHFFFAOYSA-N 0 3 316.449 2.160 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000960632155 1085392876 /nfs/dbraw/zinc/39/28/76/1085392876.db2.gz QZEAJEJQQYQXAG-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN N#CCCCN1CCC2(CCN(Cc3ccncc3)CC2)C1=O ZINC001272948901 1085432791 /nfs/dbraw/zinc/43/27/91/1085432791.db2.gz GMJJGQYKJHWFAE-UHFFFAOYSA-N 0 3 312.417 2.200 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H](CC)N(C)C ZINC001486568565 1085432812 /nfs/dbraw/zinc/43/28/12/1085432812.db2.gz LJRCLWPQYKJSQH-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@]1(C)CCOC1)C2 ZINC000965615466 1085624798 /nfs/dbraw/zinc/62/47/98/1085624798.db2.gz QNGFSZHWUNMLNR-MKUJRZGVSA-N 0 3 312.841 2.183 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(F)cc1Cl ZINC000961671777 1085819798 /nfs/dbraw/zinc/81/97/98/1085819798.db2.gz ZJRJMPZFMOFSAF-VIKVFOODSA-N 0 3 308.784 2.254 20 30 DEEDHN CC(C)CNC(=O)CCCN1CCc2c(C#N)c(N)sc2C1 ZINC001413078988 1085904704 /nfs/dbraw/zinc/90/47/04/1085904704.db2.gz XDKSLZVMJHPYNK-UHFFFAOYSA-N 0 3 320.462 2.112 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3c[nH]cn3)CC2)C1=O ZINC001273024281 1086004617 /nfs/dbraw/zinc/00/46/17/1086004617.db2.gz WFIORDWRWCTQRC-KRWDZBQOSA-N 0 3 302.422 2.190 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(-c2ccccc2)n1 ZINC000962322310 1086065326 /nfs/dbraw/zinc/06/53/26/1086065326.db2.gz HHCGPKYNBVJTCP-FOLVSLTJSA-N 0 3 309.369 2.188 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2[C@H]3CN(CC=C)C[C@H]32)cc1 ZINC000962888163 1086266067 /nfs/dbraw/zinc/26/60/67/1086266067.db2.gz NMVGNKOORHETNA-DZFIZOCASA-N 0 3 312.413 2.026 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCCF)C1 ZINC001108124363 1086449021 /nfs/dbraw/zinc/44/90/21/1086449021.db2.gz JQDQOUVFLRTISL-HOCLYGCPSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc(C)on1)C2 ZINC000963542948 1086490310 /nfs/dbraw/zinc/49/03/10/1086490310.db2.gz OJNQQUMWZYHEFM-UHFFFAOYSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CN(CC)CC ZINC001062243823 1086812278 /nfs/dbraw/zinc/81/22/78/1086812278.db2.gz KVLZAFMWKZOTPZ-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001062263817 1086825872 /nfs/dbraw/zinc/82/58/72/1086825872.db2.gz VQZPGRWJACHYGU-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CN(C)CCC)CC1 ZINC001079014108 1086940673 /nfs/dbraw/zinc/94/06/73/1086940673.db2.gz BSZJEGSLXADOFV-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001486893539 1087018704 /nfs/dbraw/zinc/01/87/04/1087018704.db2.gz FPTKOQLSZATNAG-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001487086491 1087106346 /nfs/dbraw/zinc/10/63/46/1087106346.db2.gz DAEWZOIVGCUSPG-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1ccnc(C)c1)CC2 ZINC001273186786 1087236609 /nfs/dbraw/zinc/23/66/09/1087236609.db2.gz CSFLYTXHCKADCH-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1(CNC(=O)CN(CC)CC)CCC1 ZINC001063131172 1087357976 /nfs/dbraw/zinc/35/79/76/1087357976.db2.gz VRKRYIVHIMHSKJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001063172823 1087370340 /nfs/dbraw/zinc/37/03/40/1087370340.db2.gz UQWUDXQDKVANHJ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1(NC(=O)CN(C)CCC)CCC1 ZINC001064397717 1087590577 /nfs/dbraw/zinc/59/05/77/1087590577.db2.gz UAYBGMGAPKLRCB-QGZVFWFLSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001064397141 1087590585 /nfs/dbraw/zinc/59/05/85/1087590585.db2.gz IGCPRXRYBVEBAP-YOEHRIQHSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079156737 1087739905 /nfs/dbraw/zinc/73/99/05/1087739905.db2.gz FQPHTEBAMWTQPA-BVPBIZIASA-N 0 3 314.404 2.389 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)/C=C\C3CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079229554 1087786091 /nfs/dbraw/zinc/78/60/91/1087786091.db2.gz GASBPXHUYLXTBY-JOGGYFKDSA-N 0 3 316.445 2.078 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001079753692 1088382129 /nfs/dbraw/zinc/38/21/29/1088382129.db2.gz GYVZBXXDEOCBLW-FVQBIDKESA-N 0 3 300.402 2.003 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(CCOCCC(C)C)C[C@H]21 ZINC001114748137 1088385584 /nfs/dbraw/zinc/38/55/84/1088385584.db2.gz NTLGEJDCCDSMIJ-VQFNDLOPSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001079745255 1088394242 /nfs/dbraw/zinc/39/42/42/1088394242.db2.gz RKXAGWOVHLHVHK-NVXWUHKLSA-N 0 3 314.429 2.385 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001079786131 1088416079 /nfs/dbraw/zinc/41/60/79/1088416079.db2.gz GQRUXNHCXCODND-RHSMWYFYSA-N 0 3 314.433 2.072 20 30 DEEDHN CCN(Cc1cncs1)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957692420 1088550681 /nfs/dbraw/zinc/55/06/81/1088550681.db2.gz SMEKOYDBAYARDG-ZDUSSCGKSA-N 0 3 320.462 2.363 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001080070265 1088602570 /nfs/dbraw/zinc/60/25/70/1088602570.db2.gz YSSFMYVUIDLBBL-GDBMZVCRSA-N 0 3 300.402 2.077 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(C3CCC3)cc2)[C@H](O)C1 ZINC000958113687 1088797880 /nfs/dbraw/zinc/79/78/80/1088797880.db2.gz ZNORGUIIQPVFMV-QZTJIDSGSA-N 0 3 314.429 2.163 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cc3sccc3s2)C1 ZINC000958184097 1088838534 /nfs/dbraw/zinc/83/85/34/1088838534.db2.gz UYCKMFHXUZDEES-QWRGUYRKSA-N 0 3 322.455 2.171 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001080355994 1088852759 /nfs/dbraw/zinc/85/27/59/1088852759.db2.gz FZPOBNLTRFADCC-ZWNOBZJWSA-N 0 3 310.319 2.177 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001276318580 1088962377 /nfs/dbraw/zinc/96/23/77/1088962377.db2.gz CWNHQYBGKGWWAT-AWEZNQCLSA-N 0 3 310.829 2.083 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCCn1cccn1 ZINC001276326904 1089004440 /nfs/dbraw/zinc/00/44/40/1089004440.db2.gz LDTDYMHHUDWBKZ-KRWDZBQOSA-N 0 3 316.449 2.047 20 30 DEEDHN C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21)C1CC1 ZINC000958496382 1089016101 /nfs/dbraw/zinc/01/61/01/1089016101.db2.gz VQVZUPRBIOEYLI-DUOKCRBOSA-N 0 3 309.413 2.151 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000958514868 1089035188 /nfs/dbraw/zinc/03/51/88/1089035188.db2.gz DWYIHHDRAFKGGB-LUKYLMHMSA-N 0 3 308.466 2.044 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001080561964 1089066802 /nfs/dbraw/zinc/06/68/02/1089066802.db2.gz ALZKVBVWOIECMG-ZWNOBZJWSA-N 0 3 308.813 2.065 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC(OCC)C1)C2 ZINC001095903852 1089086455 /nfs/dbraw/zinc/08/64/55/1089086455.db2.gz OFHJYDOZAKNABV-BHIOZNAESA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001080617502 1089094693 /nfs/dbraw/zinc/09/46/93/1089094693.db2.gz VKFUPEVXOYDEHF-CRAIPNDOSA-N 0 3 324.428 2.499 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000958699786 1089142608 /nfs/dbraw/zinc/14/26/08/1089142608.db2.gz ZSZZJERJCDHSMW-STQMWFEESA-N 0 3 322.474 2.254 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC000958731727 1089153795 /nfs/dbraw/zinc/15/37/95/1089153795.db2.gz ISFOAGHQXFIMQE-KBPBESRZSA-N 0 3 322.474 2.470 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000958736188 1089155407 /nfs/dbraw/zinc/15/54/07/1089155407.db2.gz KJCMFHKTIKCJDQ-HOTGVXAUSA-N 0 3 308.466 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001080750871 1089170688 /nfs/dbraw/zinc/17/06/88/1089170688.db2.gz UJEBHQVQSHBMLI-TZMCWYRMSA-N 0 3 304.438 2.333 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cccc2OC)C1 ZINC001080997596 1089283467 /nfs/dbraw/zinc/28/34/67/1089283467.db2.gz GILJMPJYOAMXAJ-TZMCWYRMSA-N 0 3 320.820 2.422 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1c1ccccc1 ZINC001081110027 1089356659 /nfs/dbraw/zinc/35/66/59/1089356659.db2.gz QUYIMWJKRGLWQT-ZWKOTPCHSA-N 0 3 308.381 2.040 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1c1ccccc1 ZINC001081162315 1089363926 /nfs/dbraw/zinc/36/39/26/1089363926.db2.gz GNUBMNCCNYWTEO-FUHWJXTLSA-N 0 3 308.381 2.419 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@H](OC)C1 ZINC001081859205 1089523945 /nfs/dbraw/zinc/52/39/45/1089523945.db2.gz KOGSWLVKQDCBMY-HUUCEWRRSA-N 0 3 305.422 2.027 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OCc1ccccc1C ZINC001114635406 1089565280 /nfs/dbraw/zinc/56/52/80/1089565280.db2.gz HESBYBQRACFSMS-BGTYHANMSA-N 0 3 314.429 2.133 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H](OC)C1 ZINC001081954347 1089595547 /nfs/dbraw/zinc/59/55/47/1089595547.db2.gz RWDWUPYUXPPGFP-HZPDHXFCSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@H](OC)C1 ZINC001082183946 1089763077 /nfs/dbraw/zinc/76/30/77/1089763077.db2.gz WABLUVIIZKJELU-BRWVUGGUSA-N 0 3 320.408 2.479 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@H](OC)C1 ZINC001082210814 1089773557 /nfs/dbraw/zinc/77/35/57/1089773557.db2.gz SGUCTKXVIHABLB-ZMSDIMECSA-N 0 3 320.433 2.473 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@H](OC)C1 ZINC001082333135 1089851920 /nfs/dbraw/zinc/85/19/20/1089851920.db2.gz QARKIDMGVIBZAU-KBAYOESNSA-N 0 3 316.445 2.490 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001082681918 1090044651 /nfs/dbraw/zinc/04/46/51/1090044651.db2.gz CXBJDPAKXMNUGO-MBNYWOFBSA-N 0 3 319.453 2.213 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@H]2C1 ZINC001083088404 1090159526 /nfs/dbraw/zinc/15/95/26/1090159526.db2.gz ISEVJOLPSDNLKG-MDMSPXHWSA-N 0 3 316.445 2.076 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)c(C#N)c1 ZINC001273213641 1090194114 /nfs/dbraw/zinc/19/41/14/1090194114.db2.gz HRRDBDHEIOGEKP-QZTJIDSGSA-N 0 3 307.397 2.065 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4cccnc43)[C@@H]2C1 ZINC001084492168 1090306394 /nfs/dbraw/zinc/30/63/94/1090306394.db2.gz QUCZAGQAYXTFHU-SJLPKXTDSA-N 0 3 319.408 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@@H]2C1 ZINC001084524104 1090318429 /nfs/dbraw/zinc/31/84/29/1090318429.db2.gz IVCMNNZZLLTGAX-CZUORRHYSA-N 0 3 315.417 2.072 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cc(OCC)no3)[C@@H]2C1 ZINC001084524624 1090318474 /nfs/dbraw/zinc/31/84/74/1090318474.db2.gz CJINAMIXCBVPGM-ZIAGYGMSSA-N 0 3 319.405 2.186 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)[C@@H]2C1 ZINC001084538925 1090323567 /nfs/dbraw/zinc/32/35/67/1090323567.db2.gz XKKDLRMQTBRTHB-UYTYNIKBSA-N 0 3 300.446 2.369 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001410172482 1090376293 /nfs/dbraw/zinc/37/62/93/1090376293.db2.gz AWLYKXTZGWZGFK-OPRDCNLKSA-N 0 3 323.181 2.035 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001084721927 1090409529 /nfs/dbraw/zinc/40/95/29/1090409529.db2.gz OWGHZMGUCNJFSC-IAGOWNOFSA-N 0 3 312.413 2.173 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001084724649 1090411940 /nfs/dbraw/zinc/41/19/40/1090411940.db2.gz NQZPDZCYQDEYLJ-APHBMKBZSA-N 0 3 316.449 2.239 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c[nH]c4cccnc34)[C@@H]2C1 ZINC001084775987 1090439854 /nfs/dbraw/zinc/43/98/54/1090439854.db2.gz CDVVEOSDSRVPDC-CZUORRHYSA-N 0 3 310.401 2.285 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842220 1090472606 /nfs/dbraw/zinc/47/26/06/1090472606.db2.gz HBCDAZPXIQVRJY-YXJHDRRASA-N 0 3 314.404 2.485 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099850260 1090530327 /nfs/dbraw/zinc/53/03/27/1090530327.db2.gz NFBRGPSELRUFGR-MSOLQXFVSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C[C@@H]21 ZINC001084942295 1090532097 /nfs/dbraw/zinc/53/20/97/1090532097.db2.gz NPLARGKAZFAGMB-QZWWFDLISA-N 0 3 306.450 2.156 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)c3cccnc3)C[C@@H]21 ZINC001085049425 1090614572 /nfs/dbraw/zinc/61/45/72/1090614572.db2.gz ZFWXQDOBZMDQDF-NUJGCVRESA-N 0 3 311.429 2.131 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001273360881 1091090607 /nfs/dbraw/zinc/09/06/07/1091090607.db2.gz XDEZTEZTCBZULI-GOSISDBHSA-N 0 3 300.402 2.175 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c1[O-] ZINC001273360881 1091090613 /nfs/dbraw/zinc/09/06/13/1091090613.db2.gz XDEZTEZTCBZULI-GOSISDBHSA-N 0 3 300.402 2.175 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccnc(C#N)c3)CC2)C1=O ZINC001274281370 1091165016 /nfs/dbraw/zinc/16/50/16/1091165016.db2.gz VVARSGPLWKUALZ-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 ZINC001274474267 1091261986 /nfs/dbraw/zinc/26/19/86/1091261986.db2.gz IBCAJDYDHSDRSL-DLBZAZTESA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001494800659 1091289791 /nfs/dbraw/zinc/28/97/91/1091289791.db2.gz KURCQDIXKDWQEG-ZDUSSCGKSA-N 0 3 311.813 2.017 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(SC)nc3)C2)C1=O ZINC001274535586 1091289864 /nfs/dbraw/zinc/28/98/64/1091289864.db2.gz AADIVLPVAPENAC-QGZVFWFLSA-N 0 3 317.458 2.414 20 30 DEEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cnc(C)[nH]1 ZINC001274576034 1091303385 /nfs/dbraw/zinc/30/33/85/1091303385.db2.gz JXPJRILKILQVQB-QGZVFWFLSA-N 0 3 302.422 2.251 20 30 DEEDHN C=C(C)CN1c2ccccc2[C@]2(CCN(c3cncn3C)C2)C1=O ZINC001274758578 1091399273 /nfs/dbraw/zinc/39/92/73/1091399273.db2.gz JLFLGPZTPSGYIH-LJQANCHMSA-N 0 3 322.412 2.491 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)cc(O)c1 ZINC001274759307 1091400188 /nfs/dbraw/zinc/40/01/88/1091400188.db2.gz IABDURPNMQQFQD-IAGOWNOFSA-N 0 3 300.402 2.452 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001274878136 1091459987 /nfs/dbraw/zinc/45/99/87/1091459987.db2.gz RPGKOGJALJPBRC-GFCCVEGCSA-N 0 3 307.442 2.125 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)CNCC#Cc2ccc(F)cc2)o1 ZINC001275064901 1091537753 /nfs/dbraw/zinc/53/77/53/1091537753.db2.gz MXLDNFSKJISWII-ZDUSSCGKSA-N 0 3 314.360 2.487 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cccc(N(C)C)c1 ZINC001275159708 1091590044 /nfs/dbraw/zinc/59/00/44/1091590044.db2.gz FZXXXUNSVPFVOT-KRWDZBQOSA-N 0 3 301.434 2.475 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H](C)C(F)(F)F ZINC001275265817 1091643703 /nfs/dbraw/zinc/64/37/03/1091643703.db2.gz DWJCLVGGTOXZMW-STQMWFEESA-N 0 3 312.335 2.331 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccc(OC)nn1 ZINC001134470594 1091657618 /nfs/dbraw/zinc/65/76/18/1091657618.db2.gz RFHBIVXKTLRZTK-KGLIPLIRSA-N 0 3 320.437 2.214 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001276276566 1091760782 /nfs/dbraw/zinc/76/07/82/1091760782.db2.gz BRLMTYABCPSLAZ-SJORKVTESA-N 0 3 306.450 2.330 20 30 DEEDHN C=CC1(CC(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001275517668 1091822293 /nfs/dbraw/zinc/82/22/93/1091822293.db2.gz YODFNLOYDWNPPX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(Cc1cncn1C)C2 ZINC001273491102 1091880204 /nfs/dbraw/zinc/88/02/04/1091880204.db2.gz BHQRZDOFRBJPTK-SFHVURJKSA-N 0 3 316.449 2.343 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)s1 ZINC001275588404 1091889681 /nfs/dbraw/zinc/88/96/81/1091889681.db2.gz CSGHJBDCTBBRFR-GASCZTMLSA-N 0 3 317.458 2.447 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C(C)(C)c1cccnc1 ZINC001273528658 1091904780 /nfs/dbraw/zinc/90/47/80/1091904780.db2.gz AKMMBTNQAYYHOU-UHFFFAOYSA-N 0 3 301.434 2.163 20 30 DEEDHN C#CCCCN1CCCC[C@@]12CC(=O)N(CC(C)(C)OC)C2 ZINC001273541715 1091913736 /nfs/dbraw/zinc/91/37/36/1091913736.db2.gz JAEZIQDOHRCEIT-SFHVURJKSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(-c2cccs2)on1 ZINC001273541244 1091914267 /nfs/dbraw/zinc/91/42/67/1091914267.db2.gz UKLSZWICTFNCCM-UHFFFAOYSA-N 0 3 317.414 2.430 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2ccc(CC)cn2)CC1 ZINC000948793759 1091938946 /nfs/dbraw/zinc/93/89/46/1091938946.db2.gz ZPXIPYKUESAAKM-SFHVURJKSA-N 0 3 313.445 2.133 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2cccc(F)c2F)CC1 ZINC000948813093 1091952107 /nfs/dbraw/zinc/95/21/07/1091952107.db2.gz SXKOBKLIMLQUKE-OAHLLOKOSA-N 0 3 320.383 2.453 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc3cc[nH]c3n1)CC2 ZINC001273632292 1091966843 /nfs/dbraw/zinc/96/68/43/1091966843.db2.gz PUKWTWWKKVEQJN-MRXNPFEDSA-N 0 3 324.428 2.467 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccc(F)c(C)c3F)C2)C1=O ZINC001273720212 1092014175 /nfs/dbraw/zinc/01/41/75/1092014175.db2.gz DCTDQXUATWSDRA-SFHVURJKSA-N 0 3 318.367 2.331 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2c[nH]c3cnccc23)C1=O ZINC001273728328 1092018658 /nfs/dbraw/zinc/01/86/58/1092018658.db2.gz MZMLEPCIICIGJH-GOSISDBHSA-N 0 3 310.401 2.316 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)/C=C(\C)C1CC1)CCO2 ZINC000949041112 1092036166 /nfs/dbraw/zinc/03/61/66/1092036166.db2.gz PTNRVEDBHDRTEC-JQIJEIRASA-N 0 3 316.445 2.059 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)CCc1ccc(C)s1 ZINC001273783544 1092047136 /nfs/dbraw/zinc/04/71/36/1092047136.db2.gz JHTGVVOZOJXCNM-UHFFFAOYSA-N 0 3 322.474 2.077 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(CCC(=O)OC(C)(C)C)CC2 ZINC001273788237 1092048747 /nfs/dbraw/zinc/04/87/47/1092048747.db2.gz KIBZXIYYBBRKEY-CQSZACIVSA-N 0 3 322.449 2.123 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCOC3(CCN(CC=C)CC3)C2)cc1 ZINC000949156322 1092057840 /nfs/dbraw/zinc/05/78/40/1092057840.db2.gz GFKLGKVQDNZILC-UHFFFAOYSA-N 0 3 324.424 2.161 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C(C)C)CC1)CCO2 ZINC000949182162 1092064762 /nfs/dbraw/zinc/06/47/62/1092064762.db2.gz FKTXVSCUAJTFPQ-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@@]1(C)CC)CCO2 ZINC000949220167 1092073322 /nfs/dbraw/zinc/07/33/22/1092073322.db2.gz BTEXUXINVDOMPS-NVXWUHKLSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3=CCCC3)CC2)C1 ZINC000949340658 1092114864 /nfs/dbraw/zinc/11/48/64/1092114864.db2.gz XMYDLOQTWGJHLG-UHFFFAOYSA-N 0 3 304.434 2.366 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC/C=C\Cl)C2)C1 ZINC001273912583 1092506256 /nfs/dbraw/zinc/50/62/56/1092506256.db2.gz XOLGMHUWTDGUSG-LEXSJLIMSA-N 0 3 312.841 2.038 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CC[C@@H](NCc2ccn(CC)n2)C1 ZINC001488906904 1092808642 /nfs/dbraw/zinc/80/86/42/1092808642.db2.gz JHAJHNFKEQWHEL-JKSUJKDBSA-N 0 3 316.449 2.081 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)CCOC)CCN1Cc1cccc(C#N)c1 ZINC001489099774 1092913676 /nfs/dbraw/zinc/91/36/76/1092913676.db2.gz NILRQAGTXAFGSJ-DLBZAZTESA-N 0 3 315.417 2.064 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1cn(C)c2ccccc12 ZINC001490241368 1093255507 /nfs/dbraw/zinc/25/55/07/1093255507.db2.gz QJEZHDPTRBXRJJ-UHFFFAOYSA-N 0 3 311.429 2.182 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc(OC)c(F)c1)C1CC1 ZINC001490377457 1093332812 /nfs/dbraw/zinc/33/28/12/1093332812.db2.gz YLSKFHNHRKOZHD-UHFFFAOYSA-N 0 3 318.392 2.442 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H](OC)C1CCCC1)C1CC1 ZINC001490391788 1093342146 /nfs/dbraw/zinc/34/21/46/1093342146.db2.gz WTRPVQPGUHCIBZ-KRWDZBQOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001490413120 1093370736 /nfs/dbraw/zinc/37/07/36/1093370736.db2.gz TYWMDGKQQVLCCT-CABCVRRESA-N 0 3 312.429 2.250 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(C[C@@H](OC)c2ccccc2)C1 ZINC001490537862 1093402069 /nfs/dbraw/zinc/40/20/69/1093402069.db2.gz OPNADBLIVXDTDM-ZWKOTPCHSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCOCCC(=O)N(CCC)C1CCN(CC(=C)C)CC1 ZINC001490616914 1093446958 /nfs/dbraw/zinc/44/69/58/1093446958.db2.gz MLEKQLCJVLGOHO-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN O=C(NC[C@H](NCC#Cc1ccc(F)cc1)C1CC1)C1CCC1 ZINC001490624060 1093450417 /nfs/dbraw/zinc/45/04/17/1093450417.db2.gz APKXUGDNKWACSK-SFHVURJKSA-N 0 3 314.404 2.462 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cn1ccnc1C(C)C)C1CC1 ZINC001490716654 1093480096 /nfs/dbraw/zinc/48/00/96/1093480096.db2.gz JXXIZNASDOMONC-AWEZNQCLSA-N 0 3 324.856 2.243 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)n1 ZINC001490786452 1093530336 /nfs/dbraw/zinc/53/03/36/1093530336.db2.gz PULWYAKCLWOUPA-AEGPPILISA-N 0 3 302.422 2.362 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001490790334 1093531789 /nfs/dbraw/zinc/53/17/89/1093531789.db2.gz YETJPDJZEPFNOG-HPZPOOBXSA-N 0 3 306.450 2.179 20 30 DEEDHN N#CCCCN1CCC2(C[C@H]2C(=O)NCCC(F)(F)F)CC1 ZINC001274040611 1093777865 /nfs/dbraw/zinc/77/78/65/1093777865.db2.gz VLWHKALYCIKMBS-LBPRGKRZSA-N 0 3 317.355 2.461 20 30 DEEDHN N#CCCCN1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001274040293 1093778994 /nfs/dbraw/zinc/77/89/94/1093778994.db2.gz SXMAYFCNKYNAFW-VXGBXAGGSA-N 0 3 303.328 2.308 20 30 DEEDHN C#CCN1c2ccccc2[C@@]2(CCN(Cc3cnc(C)o3)C2)C1=O ZINC001274160443 1093828036 /nfs/dbraw/zinc/82/80/36/1093828036.db2.gz WXBXZIWFAZKJGV-IBGZPJMESA-N 0 3 321.380 2.107 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001351978321 1151643730 /nfs/dbraw/zinc/64/37/30/1151643730.db2.gz OTOKTLIQGQVPPH-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001329591801 1148931445 /nfs/dbraw/zinc/93/14/45/1148931445.db2.gz GBVLKMQKCTWGDG-ZIAGYGMSSA-N 0 3 305.422 2.495 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CC)C(=O)CN(C)C(C)C)C1 ZINC001421357283 1171736141 /nfs/dbraw/zinc/73/61/41/1171736141.db2.gz FWYSNNFWIMLNJS-CQSZACIVSA-N 0 3 301.862 2.002 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CCNC(=O)CN(C)C(C)C ZINC001746739682 1138288992 /nfs/dbraw/zinc/28/89/92/1138288992.db2.gz HPJGZQKNXBRXMY-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccc(F)s2)CC1 ZINC001281825060 1138484418 /nfs/dbraw/zinc/48/44/18/1138484418.db2.gz MWVVUOGQSNXQTP-UHFFFAOYSA-N 0 3 312.410 2.020 20 30 DEEDHN Cn1cc(CN2CCC[C@H](n3ccnn3)C2)c2cc(C#N)ccc21 ZINC001237472814 1138647324 /nfs/dbraw/zinc/64/73/24/1138647324.db2.gz NDULPCJKYQIFPH-INIZCTEOSA-N 0 3 320.400 2.479 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)N[C@@H]1CNCCOC1 ZINC001238108832 1138823301 /nfs/dbraw/zinc/82/33/01/1138823301.db2.gz LDVLGVBZOCGCGN-OAHLLOKOSA-N 0 3 320.499 2.035 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238415903 1138844824 /nfs/dbraw/zinc/84/48/24/1138844824.db2.gz FTZILTBNCJCHNY-UHFFFAOYSA-N 0 3 317.433 2.111 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccns2)[C@H]1C ZINC001278291830 1139017056 /nfs/dbraw/zinc/01/70/56/1139017056.db2.gz AKWNHJXGOYWBQE-HIFRSBDPSA-N 0 3 305.447 2.416 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001295262862 1139362332 /nfs/dbraw/zinc/36/23/32/1139362332.db2.gz CTVGBMWZXPFRLC-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CCCc1ccc(C)cc1 ZINC001491568426 1139656651 /nfs/dbraw/zinc/65/66/51/1139656651.db2.gz BBWPSRQSSGRENU-KRWDZBQOSA-N 0 3 316.445 2.062 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(COC)CC1)C2 ZINC001278334107 1139842887 /nfs/dbraw/zinc/84/28/87/1139842887.db2.gz ATJWMGXBVOSKCB-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)COCCC)C2 ZINC001278336303 1139853873 /nfs/dbraw/zinc/85/38/73/1139853873.db2.gz PPVKXMHGULKENO-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(CC)C(=O)CN(C)C(C)C)C1 ZINC001297325817 1139860295 /nfs/dbraw/zinc/86/02/95/1139860295.db2.gz LJRJKKFRBGKPJZ-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001297372674 1139864245 /nfs/dbraw/zinc/86/42/45/1139864245.db2.gz ANRJOQXEODZSSI-CHWSQXEVSA-N 0 3 322.371 2.453 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001297521176 1139875912 /nfs/dbraw/zinc/87/59/12/1139875912.db2.gz FVGXKPJPOPDLHK-UHFFFAOYSA-N 0 3 323.481 2.228 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CC12CCC2)NCc1ccc(F)c(C#N)c1 ZINC001491592730 1140187875 /nfs/dbraw/zinc/18/78/75/1140187875.db2.gz MPEGYJWOYUROGP-SWLSCSKDSA-N 0 3 315.392 2.482 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CCCc1sccc1C ZINC001491655452 1140263698 /nfs/dbraw/zinc/26/36/98/1140263698.db2.gz WMPGWQCXTOLKQH-OAHLLOKOSA-N 0 3 322.474 2.123 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2ccnc(C)c2)C1 ZINC001318486405 1140347395 /nfs/dbraw/zinc/34/73/95/1140347395.db2.gz YLTJLNGIZOPPSF-QGZVFWFLSA-N 0 3 317.433 2.129 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)N[C@H](C)C(=O)NC1CCCC1 ZINC001318553752 1140364251 /nfs/dbraw/zinc/36/42/51/1140364251.db2.gz CLWUEYPUTPKBLO-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN C#CCCCC(=O)N[C@](C)(CNCc1cnoc1C)C1CC1 ZINC001318686341 1140385848 /nfs/dbraw/zinc/38/58/48/1140385848.db2.gz OILDFWWIVVXYPT-QGZVFWFLSA-N 0 3 303.406 2.161 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1CCN(CCF)CC1 ZINC001319038711 1140493776 /nfs/dbraw/zinc/49/37/76/1140493776.db2.gz UFRDGUOXUPSQRR-HOTGVXAUSA-N 0 3 312.429 2.155 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc(CC3CC3)s2)C1 ZINC001278391789 1140497357 /nfs/dbraw/zinc/49/73/57/1140497357.db2.gz QVUVJZWKCPVULO-GXTWGEPZSA-N 0 3 317.458 2.312 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCCN2C(=O)C#CC(C)C)s1 ZINC001319065650 1140498107 /nfs/dbraw/zinc/49/81/07/1140498107.db2.gz GPCZWTZJGVEHSF-CQSZACIVSA-N 0 3 305.447 2.192 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)Cc1ccn(C)n1 ZINC001319749370 1140703198 /nfs/dbraw/zinc/70/31/98/1140703198.db2.gz DZZJGHAEIWNCOT-OAHLLOKOSA-N 0 3 324.856 2.076 20 30 DEEDHN Cc1ncc(CN[C@H](CNC(=O)C#CC(C)C)C(C)C)s1 ZINC001319910154 1140802258 /nfs/dbraw/zinc/80/22/58/1140802258.db2.gz FDPDISAFTAGTGP-OAHLLOKOSA-N 0 3 307.463 2.341 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C ZINC001319911721 1140802273 /nfs/dbraw/zinc/80/22/73/1140802273.db2.gz UNWVCCNZQOSMIS-BXUZGUMPSA-N 0 3 323.264 2.363 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001320043242 1140815812 /nfs/dbraw/zinc/81/58/12/1140815812.db2.gz VMSUUEQSGKFODI-AWEZNQCLSA-N 0 3 318.408 2.405 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001320079280 1140818995 /nfs/dbraw/zinc/81/89/95/1140818995.db2.gz SFXUYSNMJWNSLD-UHFFFAOYSA-N 0 3 302.422 2.242 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001278438449 1140876814 /nfs/dbraw/zinc/87/68/14/1140876814.db2.gz SVKBGUKBVUYEPG-MAUKXSAKSA-N 0 3 300.402 2.058 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001320591943 1140883616 /nfs/dbraw/zinc/88/36/16/1140883616.db2.gz MVCOCKFVINTZCQ-DLBZAZTESA-N 0 3 317.433 2.151 20 30 DEEDHN CC[C@@H](F)C(=O)N(CC)CCNCc1ccc(OC)c(C#N)c1 ZINC001320820001 1140937280 /nfs/dbraw/zinc/93/72/80/1140937280.db2.gz UWUHYNDLIXBDTE-OAHLLOKOSA-N 0 3 321.396 2.253 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC[C@H]3CCCCO3)CCC[C@@H]12 ZINC001278459006 1141013306 /nfs/dbraw/zinc/01/33/06/1141013306.db2.gz HMHBKBCHGOXLPU-JFIYKMOQSA-N 0 3 304.434 2.082 20 30 DEEDHN C#CCCCC(=O)NC/C=C\CNCc1ccnc(Cl)c1 ZINC001321039054 1141037298 /nfs/dbraw/zinc/03/72/98/1141037298.db2.gz LWXYDSAGDMIYHW-WAYWQWQTSA-N 0 3 305.809 2.301 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1oc2c(cccc2F)c1C ZINC001321097678 1141052190 /nfs/dbraw/zinc/05/21/90/1141052190.db2.gz XWUWAKLIMLYDKX-SNAWJCMRSA-N 0 3 300.333 2.389 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001321335975 1141176317 /nfs/dbraw/zinc/17/63/17/1141176317.db2.gz ISYDITBZWDNNEN-VOTSOKGWSA-N 0 3 313.445 2.414 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001321979353 1141376445 /nfs/dbraw/zinc/37/64/45/1141376445.db2.gz YBYAFVILIBDQGW-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCc2ccoc2)[C@H]1C ZINC001278504342 1141773402 /nfs/dbraw/zinc/77/34/02/1141773402.db2.gz DCXJMMXWIWUIOZ-NVXWUHKLSA-N 0 3 320.433 2.384 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC001323041682 1141804538 /nfs/dbraw/zinc/80/45/38/1141804538.db2.gz HUEPRXSBGHISKH-MCIONIFRSA-N 0 3 309.410 2.209 20 30 DEEDHN CCc1cc(C#N)ccc1CN(CC)CCN1CCOCC1 ZINC001248751807 1141812345 /nfs/dbraw/zinc/81/23/45/1141812345.db2.gz KVUDOOLVHGOKHF-UHFFFAOYSA-N 0 3 301.434 2.275 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001323246238 1141832679 /nfs/dbraw/zinc/83/26/79/1141832679.db2.gz KWCWXTQDDYOBIU-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)COc1ccc(F)cc1 ZINC001323349973 1141844891 /nfs/dbraw/zinc/84/48/91/1141844891.db2.gz COKKHPFRHGXZIY-HNNXBMFYSA-N 0 3 306.381 2.361 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001323357677 1141845389 /nfs/dbraw/zinc/84/53/89/1141845389.db2.gz OWKUJLAKTPVMDH-ZDUSSCGKSA-N 0 3 314.389 2.440 20 30 DEEDHN N#Cc1ccn2ncc(CN3CCC4(C[C@@H](F)CO4)CC3)c2c1 ZINC001249113482 1141850520 /nfs/dbraw/zinc/85/05/20/1141850520.db2.gz JHLPWIPZVSVOCA-OAHLLOKOSA-N 0 3 314.364 2.299 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H](C)c2ccccc2)CC1 ZINC001323608220 1141869499 /nfs/dbraw/zinc/86/94/99/1141869499.db2.gz SDCNSFKJKCUMSC-INIZCTEOSA-N 0 3 314.429 2.068 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COC(C)(C)C ZINC001323681828 1141876461 /nfs/dbraw/zinc/87/64/61/1141876461.db2.gz TZSAKTPIWQSIGS-CVEARBPZSA-N 0 3 324.465 2.069 20 30 DEEDHN CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428182 1141888781 /nfs/dbraw/zinc/88/87/81/1141888781.db2.gz FKBNOWOPJOKERS-IAGOWNOFSA-N 0 3 308.385 2.235 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCNC(=O)CC(C)C)[C@@H]1C ZINC001278533286 1142017990 /nfs/dbraw/zinc/01/79/90/1142017990.db2.gz PVRRRPUXMRJKJY-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C([C@@H]1CC1(F)F)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001324155311 1142018114 /nfs/dbraw/zinc/01/81/14/1142018114.db2.gz NEIUBLSDKBTOIE-CVEARBPZSA-N 0 3 318.367 2.274 20 30 DEEDHN O=C([C@H]1CC1(F)F)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001324155314 1142018402 /nfs/dbraw/zinc/01/84/02/1142018402.db2.gz NEIUBLSDKBTOIE-JKSUJKDBSA-N 0 3 318.367 2.274 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCC(=O)NC(C)(C)C ZINC001324226431 1142035798 /nfs/dbraw/zinc/03/57/98/1142035798.db2.gz RVVMOFUCPFCQME-KDOFPFPSSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N1C[C@H](N[C@H](C)c2n[nH]c(CC)n2)C(C)(C)C1 ZINC001278630666 1142380903 /nfs/dbraw/zinc/38/09/03/1142380903.db2.gz LZZWGTCNTOUMFG-OLZOCXBDSA-N 0 3 319.453 2.221 20 30 DEEDHN CC#CC[C@@H](CO)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC001336805665 1142580321 /nfs/dbraw/zinc/58/03/21/1142580321.db2.gz WCHIWXSSMKSKRF-FZMZJTMJSA-N 0 3 302.201 2.391 20 30 DEEDHN C=C[C@](C)(O)CN1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001252549977 1142758692 /nfs/dbraw/zinc/75/86/92/1142758692.db2.gz LIIADIIXZRDEGQ-INIZCTEOSA-N 0 3 310.438 2.256 20 30 DEEDHN C=C[C@@](C)(O)CN1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001252554099 1142762386 /nfs/dbraw/zinc/76/23/86/1142762386.db2.gz BEBXEAKQXNWGAP-QGZVFWFLSA-N 0 3 301.386 2.423 20 30 DEEDHN C=CCC[C@H](O)CNc1ccc(N2CCN(C)CC2)cc1C ZINC001252607413 1142788504 /nfs/dbraw/zinc/78/85/04/1142788504.db2.gz MGYQQVHWDOHDPS-KRWDZBQOSA-N 0 3 303.450 2.486 20 30 DEEDHN COc1ccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC001252715144 1142811615 /nfs/dbraw/zinc/81/16/15/1142811615.db2.gz BVDTVLQTZRPMJN-HUUCEWRRSA-N 0 3 304.390 2.061 20 30 DEEDHN COc1ccccc1OC[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC001252884849 1142826926 /nfs/dbraw/zinc/82/69/26/1142826926.db2.gz NNZFZWCKLSHSPM-CABCVRRESA-N 0 3 304.390 2.061 20 30 DEEDHN C=CCCCCCC[C@H](O)C[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001253257152 1142857688 /nfs/dbraw/zinc/85/76/88/1142857688.db2.gz NPMFKESOLSFICU-KKUMJFAQSA-N 0 3 300.443 2.384 20 30 DEEDHN C#CC1(NC[C@@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001253432598 1142871019 /nfs/dbraw/zinc/87/10/19/1142871019.db2.gz BJVCZKYYDDRLBJ-MRXNPFEDSA-N 0 3 315.413 2.257 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001338694756 1142871200 /nfs/dbraw/zinc/87/12/00/1142871200.db2.gz ZHEZYAXXLXCRPW-KKUMJFAQSA-N 0 3 321.444 2.458 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC001339837115 1143128262 /nfs/dbraw/zinc/12/82/62/1143128262.db2.gz IBVFGLHMZYOPAW-CQSZACIVSA-N 0 3 303.362 2.265 20 30 DEEDHN COc1cc(C)nc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC001254674669 1143308835 /nfs/dbraw/zinc/30/88/35/1143308835.db2.gz BKCYPRNWCCVEAX-KBPBESRZSA-N 0 3 316.405 2.329 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(C(=O)OC)CC1 ZINC001340321267 1143324162 /nfs/dbraw/zinc/32/41/62/1143324162.db2.gz WAZUBAWXWMRRGJ-OAHLLOKOSA-N 0 3 312.454 2.476 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001278815396 1143327223 /nfs/dbraw/zinc/32/72/23/1143327223.db2.gz CJDVQBWQQGHAIY-GOSISDBHSA-N 0 3 302.418 2.163 20 30 DEEDHN C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCN(C)C2)n1CC=C ZINC001340568335 1143372463 /nfs/dbraw/zinc/37/24/63/1143372463.db2.gz QMAQGMBSGUFACP-HZPDHXFCSA-N 0 3 313.449 2.265 20 30 DEEDHN N#CNC(=N[C@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC001255099250 1143404863 /nfs/dbraw/zinc/40/48/63/1143404863.db2.gz CODJGQMARXNFNZ-KRWDZBQOSA-N 0 3 305.385 2.173 20 30 DEEDHN CC[C@H](CC#N)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001255161259 1143451006 /nfs/dbraw/zinc/45/10/06/1143451006.db2.gz XECJYQXHBIAZFT-MRXNPFEDSA-N 0 3 300.406 2.216 20 30 DEEDHN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](NC(=N)c1ccc(F)cn1)C2 ZINC001255184069 1143473828 /nfs/dbraw/zinc/47/38/28/1143473828.db2.gz XNVGODJGYFRFTM-XYYAHUGASA-N 0 3 320.368 2.078 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC001341601396 1143635804 /nfs/dbraw/zinc/63/58/04/1143635804.db2.gz PASIQKPHPMSDKL-ZIAGYGMSSA-N 0 3 306.406 2.262 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC001341697015 1143668555 /nfs/dbraw/zinc/66/85/55/1143668555.db2.gz NFAHNPRPAXHXPG-ZFWWWQNUSA-N 0 3 323.387 2.343 20 30 DEEDHN C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001342116609 1143792328 /nfs/dbraw/zinc/79/23/28/1143792328.db2.gz QWYKUOOHTDTQIL-RBSFLKMASA-N 0 3 303.454 2.364 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC001342190735 1143802254 /nfs/dbraw/zinc/80/22/54/1143802254.db2.gz VQPXBVJHWXFAAL-OAHLLOKOSA-N 0 3 305.422 2.349 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001342339246 1143812211 /nfs/dbraw/zinc/81/22/11/1143812211.db2.gz LFYRCJSPWZDKQR-HOTGVXAUSA-N 0 3 306.381 2.489 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCc2nn(C)cc21)C(C)C ZINC001278917834 1143833834 /nfs/dbraw/zinc/83/38/34/1143833834.db2.gz KCQIQGVYOFYESS-HNNXBMFYSA-N 0 3 318.465 2.195 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001342886626 1143841495 /nfs/dbraw/zinc/84/14/95/1143841495.db2.gz PJOXVXPCHQWTBV-OAGGEKHMSA-N 0 3 306.450 2.478 20 30 DEEDHN C#CCCCC(=O)N[C@@H](CNCc1cnoc1C)C(C)(C)C ZINC001278957712 1143862084 /nfs/dbraw/zinc/86/20/84/1143862084.db2.gz ZUBHTOHWLBFVQH-HNNXBMFYSA-N 0 3 305.422 2.407 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnn(C)c1)c1ccccc1CC ZINC001278964009 1143866881 /nfs/dbraw/zinc/86/68/81/1143866881.db2.gz KFNTUWHQMYAUJK-GOSISDBHSA-N 0 3 324.428 2.067 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804024 1143867696 /nfs/dbraw/zinc/86/76/96/1143867696.db2.gz LCURYSWYSHSUGC-HNKHHVNMSA-N 0 3 306.406 2.416 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)OC)c1ccccc1CC ZINC001278969261 1143870943 /nfs/dbraw/zinc/87/09/43/1143870943.db2.gz HJLMRCIGFRANRW-PBHICJAKSA-N 0 3 302.418 2.054 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H]2CC[C@H](C(=O)OCC)C2)C1 ZINC001257066825 1143884696 /nfs/dbraw/zinc/88/46/96/1143884696.db2.gz DAEZHHQQQGZRMV-RRFJBIMHSA-N 0 3 324.421 2.095 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001279001801 1143893954 /nfs/dbraw/zinc/89/39/54/1143893954.db2.gz DYPWDUAQWGWPQN-DYVFJYSZSA-N 0 3 321.469 2.336 20 30 DEEDHN CCOc1ccc(CN(C)C(=O)[C@H](N)CCCC#N)cc1OC ZINC001261424731 1144246721 /nfs/dbraw/zinc/24/67/21/1144246721.db2.gz CGGYDQKWTOFGLD-CQSZACIVSA-N 0 3 319.405 2.073 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCOC23CCCCC3)CC1 ZINC001262369945 1144309800 /nfs/dbraw/zinc/30/98/00/1144309800.db2.gz SDKYLEPVZGNUKJ-INIZCTEOSA-N 0 3 321.465 2.428 20 30 DEEDHN C#CCn1cc(CNC[C@H](O)c2ccccc2C(F)(F)F)cn1 ZINC001262573284 1144320235 /nfs/dbraw/zinc/32/02/35/1144320235.db2.gz RIMSJFQNUUHPGD-HNNXBMFYSA-N 0 3 323.318 2.358 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC001263091310 1144355109 /nfs/dbraw/zinc/35/51/09/1144355109.db2.gz JXQDIEJPSUEZIZ-UAGQMJEPSA-N 0 3 304.434 2.341 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC001263117593 1144357233 /nfs/dbraw/zinc/35/72/33/1144357233.db2.gz FOHRLGGEXFILEA-KRWDZBQOSA-N 0 3 312.417 2.387 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC001263157182 1144358650 /nfs/dbraw/zinc/35/86/50/1144358650.db2.gz QYAMZNADPIEOMA-YHUYYLMFSA-N 0 3 322.449 2.250 20 30 DEEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC001263859986 1144413896 /nfs/dbraw/zinc/41/38/96/1144413896.db2.gz HCXKUHCIMSGZMT-BZUAXINKSA-N 0 3 318.367 2.178 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001263872628 1144417861 /nfs/dbraw/zinc/41/78/61/1144417861.db2.gz QWMKACKCWHZLKN-CKEIUWERSA-N 0 3 304.438 2.007 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](OCC)C3CC3)C2)CC1 ZINC001263936679 1144426465 /nfs/dbraw/zinc/42/64/65/1144426465.db2.gz JNNRZLYWNVSWBD-WBVHZDCISA-N 0 3 318.461 2.138 20 30 DEEDHN CC[C@@H](C)C(=O)N1CC2(C[C@@H]1C)CCN(CC#CCOC)CC2 ZINC001263934975 1144426537 /nfs/dbraw/zinc/42/65/37/1144426537.db2.gz RCOXOGKBIMLPFA-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001264139712 1144482098 /nfs/dbraw/zinc/48/20/98/1144482098.db2.gz YSLBPKXTPGBONW-KMFMINBZSA-N 0 3 322.474 2.463 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(CCCCC)n[nH]2)[C@H]1C ZINC001264163490 1144492544 /nfs/dbraw/zinc/49/25/44/1144492544.db2.gz MXNMVIOTULEVTG-ZBFHGGJFSA-N 0 3 316.449 2.358 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CN(C)CC=C(C)C ZINC001264182492 1144498373 /nfs/dbraw/zinc/49/83/73/1144498373.db2.gz PVNBXOMCJQDNKR-SJORKVTESA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)cc2cn[nH]c21 ZINC001264185654 1144500750 /nfs/dbraw/zinc/50/07/50/1144500750.db2.gz GKZUHKJVQATGBI-INIZCTEOSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC001264185654 1144500752 /nfs/dbraw/zinc/50/07/52/1144500752.db2.gz GKZUHKJVQATGBI-INIZCTEOSA-N 0 3 324.428 2.431 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001264377123 1144519422 /nfs/dbraw/zinc/51/94/22/1144519422.db2.gz VPNOPRCGGXNNDK-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001264428054 1144537135 /nfs/dbraw/zinc/53/71/35/1144537135.db2.gz KAIGWDNZEDFVHY-KOMQPUFPSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3(COC)CC3)C(C)(C)[C@H]21 ZINC001264585915 1144571611 /nfs/dbraw/zinc/57/16/11/1144571611.db2.gz ISAHMVAVOINFJB-OIISXLGYSA-N 0 3 318.461 2.042 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](F)C(C)C)[C@H]1CC ZINC001264615714 1144578560 /nfs/dbraw/zinc/57/85/60/1144578560.db2.gz BWEHBRSSARQRSY-RRFJBIMHSA-N 0 3 300.418 2.152 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1scnc1C(F)F ZINC001265011174 1144624224 /nfs/dbraw/zinc/62/42/24/1144624224.db2.gz FNGKARPAAWRWLW-UHFFFAOYSA-N 0 3 301.362 2.156 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001264667564 1144587678 /nfs/dbraw/zinc/58/76/78/1144587678.db2.gz GBOAQHFHXUVJTM-IRXDYDNUSA-N 0 3 308.466 2.243 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001265219275 1144669862 /nfs/dbraw/zinc/66/98/62/1144669862.db2.gz WIOHTGYWRQCHHW-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN C=C[C@H](C(=O)NCCCN1CCN(CC)CC1)c1ccccc1 ZINC001265254580 1144676367 /nfs/dbraw/zinc/67/63/67/1144676367.db2.gz RWVVPCUQFYCMAU-SFHVURJKSA-N 0 3 315.461 2.100 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(COC)CCCC2)CC1 ZINC001265328165 1144694525 /nfs/dbraw/zinc/69/45/25/1144694525.db2.gz VIVFIAQAHOPNNX-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCc2ccccc2F)CC1 ZINC001265333988 1144695276 /nfs/dbraw/zinc/69/52/76/1144695276.db2.gz IBDUEIVILFONMK-KRWDZBQOSA-N 0 3 314.404 2.362 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](CN(C)[C@H](CC)C(N)=O)C1 ZINC001265392655 1144701538 /nfs/dbraw/zinc/70/15/38/1144701538.db2.gz JBVILFZHFWBEGQ-HUUCEWRRSA-N 0 3 323.481 2.023 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1CC ZINC001265408574 1144702814 /nfs/dbraw/zinc/70/28/14/1144702814.db2.gz NDOLHEMPHXPTED-NCOADZHNSA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC001265451339 1144704870 /nfs/dbraw/zinc/70/48/70/1144704870.db2.gz LIBBMDVGOSNEFV-ZDUSSCGKSA-N 0 3 315.398 2.231 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]2CN(Cc3cnn(C)c3)CC[C@@H]21 ZINC001265520355 1144708654 /nfs/dbraw/zinc/70/86/54/1144708654.db2.gz DMTBKYDZIALHOZ-SJORKVTESA-N 0 3 316.449 2.199 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2oc(CC)nc2C)C1 ZINC001265551962 1144711159 /nfs/dbraw/zinc/71/11/59/1144711159.db2.gz RONJZMMNICDHDZ-BETUJISGSA-N 0 3 305.422 2.494 20 30 DEEDHN CC/C=C(\C)C(=O)N[C@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001265699682 1144730724 /nfs/dbraw/zinc/73/07/24/1144730724.db2.gz HVTFLKYLZWAVGE-DKXBRRKKSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)NCc1cnn(-c2ccccc2)c1 ZINC001265758704 1144738458 /nfs/dbraw/zinc/73/84/58/1144738458.db2.gz IPPODNLZOXFKDJ-OAHLLOKOSA-N 0 3 312.417 2.433 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](CC)Oc1ccccc1C ZINC001265832987 1144745896 /nfs/dbraw/zinc/74/58/96/1144745896.db2.gz UTTHNLUCKSJBIA-JKSUJKDBSA-N 0 3 302.418 2.270 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(OC)cc1Cl ZINC001265941150 1144763901 /nfs/dbraw/zinc/76/39/01/1144763901.db2.gz YRJQOKDHPVJVQQ-UHFFFAOYSA-N 0 3 308.809 2.424 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC001266111016 1144806359 /nfs/dbraw/zinc/80/63/59/1144806359.db2.gz UICGYGGWHMLEPC-MRXNPFEDSA-N 0 3 318.392 2.151 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc2ccccc2c(=O)o1)C1CC1 ZINC001266141521 1144809145 /nfs/dbraw/zinc/80/91/45/1144809145.db2.gz KHCANKCBLBRSRN-UHFFFAOYSA-N 0 3 324.380 2.011 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001266217635 1144815547 /nfs/dbraw/zinc/81/55/47/1144815547.db2.gz DUWCBQUTWFIAMT-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCc1ccc([C@@H](C)NCC#CC)cc1 ZINC001280350742 1144836096 /nfs/dbraw/zinc/83/60/96/1144836096.db2.gz NLHICWLARZAMQO-BEFAXECRSA-N 0 3 314.429 2.304 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001280438880 1144839736 /nfs/dbraw/zinc/83/97/36/1144839736.db2.gz BNTPVMCTNSMUOI-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001280679963 1144849270 /nfs/dbraw/zinc/84/92/70/1144849270.db2.gz MFURYDCAAWOITN-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn(CCC)nc1C ZINC001280872688 1144860745 /nfs/dbraw/zinc/86/07/45/1144860745.db2.gz IXNMOXYOPXWOAC-UHFFFAOYSA-N 0 3 304.438 2.019 20 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C=C(C)CCC(=O)N[C@@H]1CCCN(CCc2ccnn2C)[C@H]1C ZINC001284128874 1145804743 /nfs/dbraw/zinc/80/47/43/1145804743.db2.gz PJVCFNHHPDCIMJ-DOTOQJQBSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCCCC(=O)N[C@H](CN[C@@H]1CCN(CC)C1=O)C(C)(C)C ZINC001284625030 1145880969 /nfs/dbraw/zinc/88/09/69/1145880969.db2.gz MGVOVICCHBOESU-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1csc(Cl)n1)CCOC ZINC001284669422 1145888110 /nfs/dbraw/zinc/88/81/10/1145888110.db2.gz WXWBETIFYHLEBG-UHFFFAOYSA-N 0 3 317.842 2.051 20 30 DEEDHN C=C1CC(C)(C(=O)N(CCC)CCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001284710152 1145893874 /nfs/dbraw/zinc/89/38/74/1145893874.db2.gz ZBFQKUGGYPTQSG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001285020382 1146010523 /nfs/dbraw/zinc/01/05/23/1146010523.db2.gz UNTRMHXHCGUZLB-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001365841588 1146025358 /nfs/dbraw/zinc/02/53/58/1146025358.db2.gz 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ZINC001491942127 1147010482 /nfs/dbraw/zinc/01/04/82/1147010482.db2.gz GTMDKTJOMXRAJT-INIZCTEOSA-N 0 3 320.383 2.453 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2c(C)noc2Cl)C1 ZINC001491954406 1147017312 /nfs/dbraw/zinc/01/73/12/1147017312.db2.gz JNZLRKZYEAUMOK-CYBMUJFWSA-N 0 3 323.824 2.125 20 30 DEEDHN C[C@H](CCNC(=O)CC(F)(F)F)NCc1ccccc1C#N ZINC001491994077 1147034711 /nfs/dbraw/zinc/03/47/11/1147034711.db2.gz UOXZJBUNSZJQRU-LLVKDONJSA-N 0 3 313.323 2.495 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn2ccc(C)cc12 ZINC001492036104 1147071588 /nfs/dbraw/zinc/07/15/88/1147071588.db2.gz CUSGYRHKQJWOQT-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001492215953 1147157061 /nfs/dbraw/zinc/15/70/61/1147157061.db2.gz PKOPBEHNZWDWRS-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](CNC(=O)c1cscn1)NCc1ccc(C#N)c(F)c1 ZINC001366268145 1147185172 /nfs/dbraw/zinc/18/51/72/1147185172.db2.gz YJSNHMISSPSTMA-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1csc([C@H]2CCCO2)n1 ZINC001492253536 1147186767 /nfs/dbraw/zinc/18/67/67/1147186767.db2.gz WCSRAQCQMHEIGT-CYBMUJFWSA-N 0 3 309.435 2.232 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1cncs1 ZINC001366487570 1147307018 /nfs/dbraw/zinc/30/70/18/1147307018.db2.gz PYFVHQHQUDTVCO-LLVKDONJSA-N 0 3 301.843 2.313 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cn(C)nc1C1CCCC1 ZINC001316850012 1147376289 /nfs/dbraw/zinc/37/62/89/1147376289.db2.gz YLWWYWXVFFHPDC-UHFFFAOYSA-N 0 3 316.449 2.153 20 30 DEEDHN CCN(CCNC(=O)Cc1ccco1)Cc1cccc(C#N)c1 ZINC001366634539 1147423111 /nfs/dbraw/zinc/42/31/11/1147423111.db2.gz SHLJHNCVNXSIBG-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(Cl)nc1 ZINC001307729384 1147434173 /nfs/dbraw/zinc/43/41/73/1147434173.db2.gz LZJIKZOZGVWNEH-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1ccc(C(F)F)cc1 ZINC001316857495 1147438992 /nfs/dbraw/zinc/43/89/92/1147438992.db2.gz ZTLYPYYAVBIYNJ-UHFFFAOYSA-N 0 3 324.371 2.326 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCOc2cccc(F)c2)C1 ZINC001317520109 1147546199 /nfs/dbraw/zinc/54/61/99/1147546199.db2.gz JLBUOTVZXXTUJN-OAHLLOKOSA-N 0 3 318.392 2.056 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001316767662 1147575850 /nfs/dbraw/zinc/57/58/50/1147575850.db2.gz LEEXFTMYNBHFTE-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cn(C2CCC2)nn1 ZINC001316803110 1147602397 /nfs/dbraw/zinc/60/23/97/1147602397.db2.gz WMHLKLOPGYZMFO-HNNXBMFYSA-N 0 3 317.437 2.116 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC ZINC001316870317 1147617248 /nfs/dbraw/zinc/61/72/48/1147617248.db2.gz KUVBVPGOBGKKFL-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001316874936 1147618585 /nfs/dbraw/zinc/61/85/85/1147618585.db2.gz VCEGUJQPZWCQJF-ZBFHGGJFSA-N 0 3 300.402 2.388 20 30 DEEDHN COCC#CCN(CCCNC(=O)C=C1CCCCC1)C1CC1 ZINC001316912441 1147630089 /nfs/dbraw/zinc/63/00/89/1147630089.db2.gz 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/nfs/dbraw/zinc/65/23/71/1147652371.db2.gz VVSQFLFPNDBUBT-HRCADAONSA-N 0 3 302.422 2.086 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOC1 ZINC001317049182 1147653270 /nfs/dbraw/zinc/65/32/70/1147653270.db2.gz DNZDMKQZUUDDGB-CUSZFKRNSA-N 0 3 306.450 2.443 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2=CCCC2)C1 ZINC001317105633 1147660120 /nfs/dbraw/zinc/66/01/20/1147660120.db2.gz NZISBYIOAURKQO-ROUUACIJSA-N 0 3 316.445 2.059 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC/C(Cl)=C\Cl)CC1 ZINC001367188803 1147662009 /nfs/dbraw/zinc/66/20/09/1147662009.db2.gz VYKISILARCOMSO-RQGUALRASA-N 0 3 304.221 2.482 20 30 DEEDHN CCn1cccc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317126146 1147663019 /nfs/dbraw/zinc/66/30/19/1147663019.db2.gz KEGFTAUTZMHXBH-HDICACEKSA-N 0 3 321.424 2.410 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001317142772 1147665948 /nfs/dbraw/zinc/66/59/48/1147665948.db2.gz GNTOCZJRBVEXJP-MRXNPFEDSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCCC(=O)NC(C)C ZINC001317181233 1147672488 /nfs/dbraw/zinc/67/24/88/1147672488.db2.gz QNFYYZHAQPQICV-INIZCTEOSA-N 0 3 323.481 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC[C@@H](F)CC)cn1 ZINC001317196422 1147674570 /nfs/dbraw/zinc/67/45/70/1147674570.db2.gz CCCUWPJBMZHBQE-DOTOQJQBSA-N 0 3 317.408 2.395 20 30 DEEDHN C=C(C)CCC(=O)NC1CCC(NCc2nccn2C)CC1 ZINC001317217156 1147678690 /nfs/dbraw/zinc/67/86/90/1147678690.db2.gz DJRDHYFFVWGJGM-UHFFFAOYSA-N 0 3 304.438 2.293 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001317232847 1147680433 /nfs/dbraw/zinc/68/04/33/1147680433.db2.gz GJGFUAVZSLFWNH-CQSZACIVSA-N 0 3 315.392 2.485 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001317338384 1147692657 /nfs/dbraw/zinc/69/26/57/1147692657.db2.gz DPFBTCRZEBHWCH-OCCSQVGLSA-N 0 3 319.453 2.215 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccc2nonc2c1 ZINC001317484166 1147714175 /nfs/dbraw/zinc/71/41/75/1147714175.db2.gz NHAHPIVNHOIMMO-UHFFFAOYSA-N 0 3 316.405 2.373 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001317533035 1147721278 /nfs/dbraw/zinc/72/12/78/1147721278.db2.gz ASCYBLGBIQVXOZ-LBPRGKRZSA-N 0 3 304.356 2.426 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cccc(OC(C)C)n1 ZINC001317544040 1147722853 /nfs/dbraw/zinc/72/28/53/1147722853.db2.gz FUSAHQGRYAICRQ-UHFFFAOYSA-N 0 3 317.433 2.334 20 30 DEEDHN C=CCN(CCNC(=O)c1cnc(C(C)C)nc1C)C1CC1 ZINC001317559286 1147724892 /nfs/dbraw/zinc/72/48/92/1147724892.db2.gz VCDKBXYJTQJMSH-UHFFFAOYSA-N 0 3 302.422 2.289 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001367671980 1147724933 /nfs/dbraw/zinc/72/49/33/1147724933.db2.gz NIZHAKUQNXCCMM-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN CC(C)OCCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001367723610 1147733216 /nfs/dbraw/zinc/73/32/16/1147733216.db2.gz UDTQMDIZKAMXEO-ZDUSSCGKSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001317991942 1147764729 /nfs/dbraw/zinc/76/47/29/1147764729.db2.gz PMYSQCVLMRHDIW-HNNXBMFYSA-N 0 3 305.422 2.381 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC001318384691 1147818738 /nfs/dbraw/zinc/81/87/38/1147818738.db2.gz AQRVYQAFIBKRPI-HZPDHXFCSA-N 0 3 315.417 2.148 20 30 DEEDHN CN(C(=O)CSCC#N)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001318387222 1147818976 /nfs/dbraw/zinc/81/89/76/1147818976.db2.gz GFXBBECQIOBPSC-OAHLLOKOSA-N 0 3 307.463 2.276 20 30 DEEDHN C#CCCCC(=O)N(C)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001318400116 1147821456 /nfs/dbraw/zinc/82/14/56/1147821456.db2.gz LSMWTBFSRGZGJU-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC001324870577 1147854542 /nfs/dbraw/zinc/85/45/42/1147854542.db2.gz ZMFNWAJOKRAQAB-MRXNPFEDSA-N 0 3 313.445 2.427 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2cnn(C)c2)C1 ZINC001324971160 1147863366 /nfs/dbraw/zinc/86/33/66/1147863366.db2.gz FLHCKYLMOJCFAW-MAUKXSAKSA-N 0 3 318.465 2.003 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(CCCOC)CCC1(F)F ZINC001325043298 1147869722 /nfs/dbraw/zinc/86/97/22/1147869722.db2.gz RLXLUKZOBHXRFT-CYBMUJFWSA-N 0 3 304.381 2.063 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC001325227420 1147886199 /nfs/dbraw/zinc/88/61/99/1147886199.db2.gz FHHWNFSGEWWWBI-GOEBONIOSA-N 0 3 311.809 2.357 20 30 DEEDHN Cc1cc(CNC[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C)on1 ZINC001325506861 1147930416 /nfs/dbraw/zinc/93/04/16/1147930416.db2.gz AHACHAZLNPOLRO-ZFWWWQNUSA-N 0 3 317.433 2.217 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)Cc1ccco1 ZINC001325708620 1147986808 /nfs/dbraw/zinc/98/68/08/1147986808.db2.gz SZXGPFFOONWFHE-UHFFFAOYSA-N 0 3 310.397 2.464 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC001326418817 1148096417 /nfs/dbraw/zinc/09/64/17/1148096417.db2.gz LVYFVWUZJUEFJI-GFCCVEGCSA-N 0 3 310.829 2.166 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(CC)on2)cc1 ZINC001326488929 1148114359 /nfs/dbraw/zinc/11/43/59/1148114359.db2.gz CPKJYGBGOVLHRG-CYBMUJFWSA-N 0 3 311.385 2.451 20 30 DEEDHN C=CCN1CCc2c(CNC(=O)Cc3[nH]cnc3C)cccc2C1 ZINC001326673457 1148195908 /nfs/dbraw/zinc/19/59/08/1148195908.db2.gz AYCRBLVYGCSAHC-UHFFFAOYSA-N 0 3 324.428 2.121 20 30 DEEDHN CC#CCNC1(CNC(=O)CO[C@H]2CCCC[C@@H]2C)CCC1 ZINC001326900809 1148285840 /nfs/dbraw/zinc/28/58/40/1148285840.db2.gz XIJKCOQKJFWKDZ-HOTGVXAUSA-N 0 3 306.450 2.234 20 30 DEEDHN CC[C@@H](F)CN1CCC(C)(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001368198984 1148321269 /nfs/dbraw/zinc/32/12/69/1148321269.db2.gz ONUPXGZUPXPUAM-CQSZACIVSA-N 0 3 320.412 2.466 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc([C@H](C)CC)cc2)CCO1 ZINC001327081343 1148321855 /nfs/dbraw/zinc/32/18/55/1148321855.db2.gz OJLXWSWKZQOMOT-QAPCUYQASA-N 0 3 314.429 2.264 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001327143210 1148334951 /nfs/dbraw/zinc/33/49/51/1148334951.db2.gz NFZQJQOXPBIJLH-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CCc2cccc(OC)c2)CC1 ZINC001327141895 1148335207 /nfs/dbraw/zinc/33/52/07/1148335207.db2.gz HIVWMAKTHHBSHL-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC001327162688 1148340038 /nfs/dbraw/zinc/34/00/38/1148340038.db2.gz KMICOCMAVRKGDS-IRXDYDNUSA-N 0 3 314.429 2.448 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000424067080 230592778 /nfs/dbraw/zinc/59/27/78/230592778.db2.gz VGFXNKXODFOVAU-QWHCGFSZSA-N 0 3 307.394 2.500 20 30 DEEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)n1C ZINC000425602115 230743684 /nfs/dbraw/zinc/74/36/84/230743684.db2.gz HKLONHJYUXDQCL-MRXNPFEDSA-N 0 3 322.412 2.420 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c[nH]1 ZINC000181298074 199277946 /nfs/dbraw/zinc/27/79/46/199277946.db2.gz DXCOXSSYHDXQMK-QGZVFWFLSA-N 0 3 308.385 2.281 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@]2(O)CCO[C@@H]2C)ccc1OC ZINC000278771858 214389776 /nfs/dbraw/zinc/38/97/76/214389776.db2.gz YGQCQFGQMKSGPB-KDOFPFPSSA-N 0 3 321.417 2.280 20 30 DEEDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cc(C#N)cs2)cn1 ZINC000328624200 231253642 /nfs/dbraw/zinc/25/36/42/231253642.db2.gz CGIJLKCAKVBKDD-HIFRSBDPSA-N 0 3 315.402 2.303 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000613215775 362044519 /nfs/dbraw/zinc/04/45/19/362044519.db2.gz KVSXKPZHNXZUOV-GOSISDBHSA-N 0 3 317.433 2.084 20 30 DEEDHN CN(CCC#N)C(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292157148 529867348 /nfs/dbraw/zinc/86/73/48/529867348.db2.gz OCYJAWLILQYNKQ-UHFFFAOYSA-N 0 3 318.377 2.182 20 30 DEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)CC(C)(C)CC#N ZINC000331313252 529930156 /nfs/dbraw/zinc/93/01/56/529930156.db2.gz IDNYTOUGJRYLBT-AWEZNQCLSA-N 0 3 315.483 2.062 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000614962691 362498943 /nfs/dbraw/zinc/49/89/43/362498943.db2.gz CLQLKJJTTYVHOV-VQIMIIECSA-N 0 3 312.461 2.331 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)C(C)C ZINC000615575111 362643568 /nfs/dbraw/zinc/64/35/68/362643568.db2.gz ZDOGLMUFXWDXLU-RDJZCZTQSA-N 0 3 322.428 2.332 20 30 DEEDHN COc1ccc2nc(CNC3CCN(CC#N)CC3)sc2c1 ZINC000616089270 362770255 /nfs/dbraw/zinc/77/02/55/362770255.db2.gz WOVDEDFQSWALSB-UHFFFAOYSA-N 0 3 316.430 2.382 20 30 DEEDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000248576995 282516350 /nfs/dbraw/zinc/51/63/50/282516350.db2.gz HQTFTIPFDMVNME-KCXAZCMYSA-N 0 3 301.390 2.432 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)NCC(=O)NC(C)(C)CC)CC1 ZINC001480530656 1151842936 /nfs/dbraw/zinc/84/29/36/1151842936.db2.gz LTNFYHILOLMSFL-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@H](CC(N)=O)C1CCCCC1 ZINC000181995469 199372536 /nfs/dbraw/zinc/37/25/36/199372536.db2.gz ZFXTVBVGHGEXBF-MRXNPFEDSA-N 0 3 315.417 2.481 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC000172134676 539616729 /nfs/dbraw/zinc/61/67/29/539616729.db2.gz ZRGYHWQTQFCRQE-NCOADZHNSA-N 0 3 321.465 2.304 20 30 DEEDHN CN(CCNC(=O)N1CCC[C@H](CC#N)C1)Cc1ccccc1 ZINC000595463635 358455397 /nfs/dbraw/zinc/45/53/97/358455397.db2.gz BGLHKIYEYUZQAB-QGZVFWFLSA-N 0 3 314.433 2.454 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000413991254 404468718 /nfs/dbraw/zinc/46/87/18/404468718.db2.gz QSLMGLOZSDPCFJ-SOUVJXGZSA-N 0 3 322.355 2.424 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCC(=O)N(C)C)C(C)C ZINC000266852166 186359292 /nfs/dbraw/zinc/35/92/92/186359292.db2.gz REAKSVOQTLLENF-MRXNPFEDSA-N 0 3 323.481 2.060 20 30 DEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000595472975 358458140 /nfs/dbraw/zinc/45/81/40/358458140.db2.gz JILFOEZTEGMEBX-QAPCUYQASA-N 0 3 300.402 2.371 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H](C2CC2)C1=O)C(C)C ZINC000277253640 213397751 /nfs/dbraw/zinc/39/77/51/213397751.db2.gz IETLJPLHRADMIE-CABCVRRESA-N 0 3 305.422 2.015 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595496617 358465306 /nfs/dbraw/zinc/46/53/06/358465306.db2.gz DXRILPGGXYQEAQ-MRXNPFEDSA-N 0 3 313.445 2.286 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCC2(CSC)CC2)CC1 ZINC000595515766 358471438 /nfs/dbraw/zinc/47/14/38/358471438.db2.gz OEYSIZJOXUWYRO-UHFFFAOYSA-N 0 3 311.495 2.469 20 30 DEEDHN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)o1 ZINC000329291545 539917158 /nfs/dbraw/zinc/91/71/58/539917158.db2.gz QWLGXKQMKQVCMV-BFHYXJOUSA-N 0 3 306.410 2.374 20 30 DEEDHN COCCN(CCC(=O)OC(C)C)Cc1ccc(C#N)cc1 ZINC000173584536 198229838 /nfs/dbraw/zinc/22/98/38/198229838.db2.gz USBOEDYTVDIIPX-UHFFFAOYSA-N 0 3 304.390 2.348 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](COCc2ccccc2)C1 ZINC000173984070 198276201 /nfs/dbraw/zinc/27/62/01/198276201.db2.gz GQXMLAHOGZSLRX-WBVHZDCISA-N 0 3 302.418 2.216 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595544983 358479739 /nfs/dbraw/zinc/47/97/39/358479739.db2.gz CWASZUWBEIRZKQ-PMPSAXMXSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H](CNC(=O)NCC#Cc1ccccc1)N1CCC[C@@H](C)C1 ZINC000048415800 354352238 /nfs/dbraw/zinc/35/22/38/354352238.db2.gz SAQJXHJPXXEOIL-SJORKVTESA-N 0 3 313.445 2.458 20 30 DEEDHN CN(CCc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000051404538 354384690 /nfs/dbraw/zinc/38/46/90/354384690.db2.gz ALEPRULUQZSJBX-SFHVURJKSA-N 0 3 310.397 2.472 20 30 DEEDHN CN(C)CCOc1cccc(CNC(=O)c2cccc(C#N)c2)c1 ZINC000056890932 354547622 /nfs/dbraw/zinc/54/76/22/354547622.db2.gz NEDUBZBUCQFDIH-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 ZINC000067744391 354776141 /nfs/dbraw/zinc/77/61/41/354776141.db2.gz FWIYLCMBRZMFIE-UHFFFAOYSA-N 0 3 321.446 2.101 20 30 DEEDHN C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000074161367 355010309 /nfs/dbraw/zinc/01/03/09/355010309.db2.gz PXKGVYRINXXIQS-DZGCQCFKSA-N 0 3 300.406 2.260 20 30 DEEDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCC[C@@H](C)C1 ZINC000079905900 355335255 /nfs/dbraw/zinc/33/52/55/355335255.db2.gz QRBOQQYTLNYGNI-NEPJUHHUSA-N 0 3 303.366 2.394 20 30 DEEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ccnc(C#N)n1 ZINC000390864637 540135085 /nfs/dbraw/zinc/13/50/85/540135085.db2.gz NZFULTVTMKNHGR-MRXNPFEDSA-N 0 3 321.428 2.483 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000091478939 355598565 /nfs/dbraw/zinc/59/85/65/355598565.db2.gz OLZYVLCPWARCCR-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN C[C@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CN(C)CCO1 ZINC000129353406 355833735 /nfs/dbraw/zinc/83/37/35/355833735.db2.gz CVHODFYOCPLMBO-YJBOKZPZSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCCCN1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000156553960 355952726 /nfs/dbraw/zinc/95/27/26/355952726.db2.gz ZZDJEDGUCOWZSR-UHFFFAOYSA-N 0 3 319.424 2.139 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](CC)C(C)(C)c1ccccc1 ZINC000180007462 356039571 /nfs/dbraw/zinc/03/95/71/356039571.db2.gz WVKZHZZAHREZDM-OAHLLOKOSA-N 0 3 317.433 2.344 20 30 DEEDHN COCCO[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000179365059 356023090 /nfs/dbraw/zinc/02/30/90/356023090.db2.gz NCELFDODPXCEIN-SFHVURJKSA-N 0 3 318.417 2.455 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(C#N)cc1 ZINC000207720832 356268261 /nfs/dbraw/zinc/26/82/61/356268261.db2.gz BDRIUYXDWVYQIX-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN Cc1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000279327570 356360752 /nfs/dbraw/zinc/36/07/52/356360752.db2.gz GMTXFUBQJOJJLH-QGZVFWFLSA-N 0 3 318.380 2.303 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618351936 363468435 /nfs/dbraw/zinc/46/84/35/363468435.db2.gz CRUGQAASCCKVIH-PKOBYXMFSA-N 0 3 316.445 2.089 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000351124963 356617881 /nfs/dbraw/zinc/61/78/81/356617881.db2.gz XLTFRUNCROFCMX-PXAZEXFGSA-N 0 3 312.373 2.478 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)COC ZINC000595638967 358509273 /nfs/dbraw/zinc/50/92/73/358509273.db2.gz QAXIMLGMCXARSI-CYBMUJFWSA-N 0 3 321.377 2.446 20 30 DEEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000578769880 356870893 /nfs/dbraw/zinc/87/08/93/356870893.db2.gz BXDQHSOTJWJNSC-CZUORRHYSA-N 0 3 313.405 2.116 20 30 DEEDHN CCCN(CCN(C)C)C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491932542 283226817 /nfs/dbraw/zinc/22/68/17/283226817.db2.gz APACOSOPUCOEDY-YFHOEESVSA-N 0 3 315.417 2.402 20 30 DEEDHN Cc1nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1C#N ZINC000579628493 357007575 /nfs/dbraw/zinc/00/75/75/357007575.db2.gz UNFDZWHLPNFSHB-OGHNNQOOSA-N 0 3 312.417 2.064 20 30 DEEDHN CN1CCC[C@]2(CCN(c3cccc(C#N)c3[N+](=O)[O-])C2)C1 ZINC000579674329 357011730 /nfs/dbraw/zinc/01/17/30/357011730.db2.gz PSKAOMXJJYCURW-INIZCTEOSA-N 0 3 300.362 2.389 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000580948693 357106227 /nfs/dbraw/zinc/10/62/27/357106227.db2.gz HPVVEBPHLOIPOH-ZVDSWSACSA-N 0 3 304.438 2.050 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000588910563 357433591 /nfs/dbraw/zinc/43/35/91/357433591.db2.gz XOMPSPQJSNLEFK-AWEZNQCLSA-N 0 3 323.462 2.151 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)C2)C1 ZINC000589926349 357505775 /nfs/dbraw/zinc/50/57/75/357505775.db2.gz UYSVSMRRVYXENE-IEBWSBKVSA-N 0 3 324.428 2.283 20 30 DEEDHN CCCN(CCN1CCCCC1)C(=O)c1cccc(C#N)n1 ZINC000589521188 357477681 /nfs/dbraw/zinc/47/76/81/357477681.db2.gz KWBSZKXADBAUCB-UHFFFAOYSA-N 0 3 300.406 2.291 20 30 DEEDHN Cc1cc(C#N)ccc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000590210241 357526277 /nfs/dbraw/zinc/52/62/77/357526277.db2.gz FMTCSVRBEZCPHK-ZWKOTPCHSA-N 0 3 300.402 2.276 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000590210291 357526371 /nfs/dbraw/zinc/52/63/71/357526371.db2.gz OZRBEGGIWSWLEO-DLBZAZTESA-N 0 3 304.365 2.107 20 30 DEEDHN N#Cc1ccccc1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000590378654 357538408 /nfs/dbraw/zinc/53/84/08/357538408.db2.gz XZXIIPBNOAOFBV-KRWDZBQOSA-N 0 3 300.402 2.216 20 30 DEEDHN CSc1ccc([C@@H](CNC(=O)NC[C@@H](C)C#N)N(C)C)cc1 ZINC000590936273 357647195 /nfs/dbraw/zinc/64/71/95/357647195.db2.gz BMXKAYAHKVRDLF-SWLSCSKDSA-N 0 3 320.462 2.470 20 30 DEEDHN N#CC1(CCN2CCN([C@@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000591013107 357660168 /nfs/dbraw/zinc/66/01/68/357660168.db2.gz QUZFQYRKYKHHRV-SJORKVTESA-N 0 3 305.466 2.382 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CC(=O)N(Cc3ccccc3)C2)o1 ZINC000179057193 198975454 /nfs/dbraw/zinc/97/54/54/198975454.db2.gz ARKGQIQQAXPTKL-OAHLLOKOSA-N 0 3 309.369 2.290 20 30 DEEDHN C[C@H](CNC(=O)Nc1cccc(C#N)n1)N1CCC(C)CC1 ZINC000592272163 357859070 /nfs/dbraw/zinc/85/90/70/357859070.db2.gz SNDNZOQPTGUTGU-CYBMUJFWSA-N 0 3 301.394 2.195 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000592507966 357889800 /nfs/dbraw/zinc/88/98/00/357889800.db2.gz KSFFAFJREQFFNC-HOTGVXAUSA-N 0 3 313.405 2.284 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(CC)nn(C)c2Cl)CC1 ZINC000179481260 199043502 /nfs/dbraw/zinc/04/35/02/199043502.db2.gz WQNVGUIJFYZRCE-UHFFFAOYSA-N 0 3 310.829 2.016 20 30 DEEDHN CCCN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CCN(C)C1 ZINC000592829747 357953319 /nfs/dbraw/zinc/95/33/19/357953319.db2.gz XPQFQTBKMRLMHD-CQSZACIVSA-N 0 3 303.381 2.183 20 30 DEEDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593027659 357990709 /nfs/dbraw/zinc/99/07/09/357990709.db2.gz VDQWUXAEWGZRNI-DOMZBBRYSA-N 0 3 303.362 2.449 20 30 DEEDHN Cn1cc(CN2CCC(CO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179915200 199094095 /nfs/dbraw/zinc/09/40/95/199094095.db2.gz BSNIDCUMVJFARR-UHFFFAOYSA-N 0 3 310.401 2.163 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000593281110 358047556 /nfs/dbraw/zinc/04/75/56/358047556.db2.gz FZUCTYYZMYZANZ-IAOVAPTHSA-N 0 3 311.385 2.266 20 30 DEEDHN C[C@@]1(NC(=O)c2cccc(C#N)n2)CCN(Cc2ccccc2)C1 ZINC000593336358 358057359 /nfs/dbraw/zinc/05/73/59/358057359.db2.gz GITWZYYTKQUSDU-LJQANCHMSA-N 0 3 320.396 2.348 20 30 DEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000593743761 358135401 /nfs/dbraw/zinc/13/54/01/358135401.db2.gz DNGOUFCEOGTXCY-LBPRGKRZSA-N 0 3 305.378 2.124 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CCN1CCCCC1 ZINC000593884026 358164368 /nfs/dbraw/zinc/16/43/68/358164368.db2.gz QGGKUCCIMOMHOR-OAHLLOKOSA-N 0 3 315.417 2.270 20 30 DEEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCOC1 ZINC000348142367 299275051 /nfs/dbraw/zinc/27/50/51/299275051.db2.gz NFAAHBKHHZNCIQ-HOTGVXAUSA-N 0 3 315.417 2.338 20 30 DEEDHN Cc1cccc(OCCN(C)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594430349 358267694 /nfs/dbraw/zinc/26/76/94/358267694.db2.gz ZWLFXFNMOFUZNX-INIZCTEOSA-N 0 3 303.406 2.244 20 30 DEEDHN N#Cc1cc2c(nc1N[C@@H]1CCCN3CCCC[C@H]13)CCOC2 ZINC000594597926 358301748 /nfs/dbraw/zinc/30/17/48/358301748.db2.gz FBUKEDYFAJJRJK-IAGOWNOFSA-N 0 3 312.417 2.455 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1cc(Cl)cc(Cl)c1 ZINC000594718876 358324743 /nfs/dbraw/zinc/32/47/43/358324743.db2.gz XDNUXPUTQHSJMB-AWEZNQCLSA-N 0 3 316.232 2.289 20 30 DEEDHN COc1ccc(N2C[C@H](NCc3cccc(C#N)c3)CC2=O)cc1 ZINC000594965871 358371342 /nfs/dbraw/zinc/37/13/42/358371342.db2.gz NDEANJIPSZEYLR-MRXNPFEDSA-N 0 3 321.380 2.462 20 30 DEEDHN CC(C)(C#N)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595234600 358403990 /nfs/dbraw/zinc/40/39/90/358403990.db2.gz MGSWPPLJJRPWRT-CQSZACIVSA-N 0 3 302.378 2.019 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000618815106 363609841 /nfs/dbraw/zinc/60/98/41/363609841.db2.gz VIJUZHIBRAMJJS-PBHICJAKSA-N 0 3 310.401 2.081 20 30 DEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCc1ccc(C#N)cc1)CC2 ZINC000595333745 358423532 /nfs/dbraw/zinc/42/35/32/358423532.db2.gz SZUILTWOAIBURJ-QZTJIDSGSA-N 0 3 314.429 2.353 20 30 DEEDHN N#Cc1ccc(CCNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000595938279 358584333 /nfs/dbraw/zinc/58/43/33/358584333.db2.gz MMOFXDYQKBXHNM-UHFFFAOYSA-N 0 3 311.410 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]c(C#N)c1)C(C)C ZINC000181192849 199263995 /nfs/dbraw/zinc/26/39/95/199263995.db2.gz VIPRPSDUVCBFCQ-MRXNPFEDSA-N 0 3 300.406 2.315 20 30 DEEDHN COc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1OC ZINC000598585772 359250299 /nfs/dbraw/zinc/25/02/99/359250299.db2.gz AFQRDKKHJGXZKY-CQSZACIVSA-N 0 3 306.406 2.436 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(CC(=O)N2CCCC2)CC1 ZINC000598590234 359253542 /nfs/dbraw/zinc/25/35/42/359253542.db2.gz SHWYTGXSHNNPLV-MRXNPFEDSA-N 0 3 321.465 2.012 20 30 DEEDHN CCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1OC ZINC000598700179 359296993 /nfs/dbraw/zinc/29/69/93/359296993.db2.gz LRZCEZMHHWCFSJ-AWEZNQCLSA-N 0 3 306.406 2.484 20 30 DEEDHN CC(C)(CCC#N)CNCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599006578 359382246 /nfs/dbraw/zinc/38/22/46/359382246.db2.gz LXTNLMDXENMRPK-UHFFFAOYSA-N 0 3 317.389 2.316 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1F ZINC000599002298 359379846 /nfs/dbraw/zinc/37/98/46/359379846.db2.gz KZFIEDRKALCBLH-WBVHZDCISA-N 0 3 313.332 2.418 20 30 DEEDHN Cc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)n[nH]1 ZINC000618967838 363651172 /nfs/dbraw/zinc/65/11/72/363651172.db2.gz WQMGKTZNHXIURA-UHFFFAOYSA-N 0 3 321.388 2.180 20 30 DEEDHN C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)N1CCC[C@H](C)C1 ZINC000427924065 237039650 /nfs/dbraw/zinc/03/96/50/237039650.db2.gz NKSOLBTYQKHTMQ-NWDGAFQWSA-N 0 3 320.824 2.457 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)CC1(C#N)CC1 ZINC000599295696 359453729 /nfs/dbraw/zinc/45/37/29/359453729.db2.gz CBDGDJULUHNJTQ-WMZOPIPTSA-N 0 3 313.445 2.247 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000667592023 540481721 /nfs/dbraw/zinc/48/17/21/540481721.db2.gz HLNXAYVMHYHHDK-FUHWJXTLSA-N 0 3 302.418 2.185 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555552 359525328 /nfs/dbraw/zinc/52/53/28/359525328.db2.gz PFZHEFLPRDTZKY-CYBMUJFWSA-N 0 3 324.446 2.436 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000667612668 540487240 /nfs/dbraw/zinc/48/72/40/540487240.db2.gz DEEAOQGDNDYKPW-CZUORRHYSA-N 0 3 308.447 2.013 20 30 DEEDHN CC(C)CC[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600308041 359717564 /nfs/dbraw/zinc/71/75/64/359717564.db2.gz JFQSPJFWJKTNAC-DLBZAZTESA-N 0 3 313.401 2.154 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](OC)c2cccc(OC)c2)CC1 ZINC000668369098 540655296 /nfs/dbraw/zinc/65/52/96/540655296.db2.gz OKNULWKZVLEAOQ-QGZVFWFLSA-N 0 3 318.417 2.149 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccnc(-c2ccccc2)c1 ZINC000600761313 359822733 /nfs/dbraw/zinc/82/27/33/359822733.db2.gz XTMIOBSVMSHZCF-GOSISDBHSA-N 0 3 324.428 2.045 20 30 DEEDHN CC(C)C[C@@](C)(C#N)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000602280511 360328922 /nfs/dbraw/zinc/32/89/22/360328922.db2.gz AQMNIIDQXZFLTH-KRWDZBQOSA-N 0 3 318.421 2.080 20 30 DEEDHN CC[C@]1(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 ZINC000619170636 363724805 /nfs/dbraw/zinc/72/48/05/363724805.db2.gz PEIDNGIXLJYJKX-WMZOPIPTSA-N 0 3 313.401 2.212 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1ccccc1 ZINC000602509109 360409639 /nfs/dbraw/zinc/40/96/39/360409639.db2.gz GLXXZPWAADERJQ-HZPDHXFCSA-N 0 3 318.417 2.115 20 30 DEEDHN CCc1cc(N2CCC[C@@H](NCc3cccc(C#N)n3)C2)ncn1 ZINC000602536348 360422245 /nfs/dbraw/zinc/42/22/45/360422245.db2.gz CBLUBCZHEWASTO-QGZVFWFLSA-N 0 3 322.416 2.064 20 30 DEEDHN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)[C@H](N)CCCC#N ZINC000602549037 360428449 /nfs/dbraw/zinc/42/84/49/360428449.db2.gz BBGTWBVYVZKKEU-OAHLLOKOSA-N 0 3 316.380 2.295 20 30 DEEDHN CO[C@@H](CN(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000602659401 360480701 /nfs/dbraw/zinc/48/07/01/360480701.db2.gz MJIYTWXQOKXAKP-SFHVURJKSA-N 0 3 301.434 2.347 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN(C)CCCC ZINC000668730519 540718650 /nfs/dbraw/zinc/71/86/50/540718650.db2.gz PGHXZLHGWQEVDJ-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CC1(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602699801 360506391 /nfs/dbraw/zinc/50/63/91/360506391.db2.gz RLOURXGYIOYFBQ-UHFFFAOYSA-N 0 3 315.377 2.242 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccnc(C#N)c1 ZINC000603128888 360712083 /nfs/dbraw/zinc/71/20/83/360712083.db2.gz QMHVVDBFBDZMAI-CYBMUJFWSA-N 0 3 301.394 2.195 20 30 DEEDHN CCc1nc(C#N)cc(N(C)CCCN(C)Cc2ccncc2)n1 ZINC000603398864 360816427 /nfs/dbraw/zinc/81/64/27/360816427.db2.gz CRTPSMZMVABYDE-UHFFFAOYSA-N 0 3 324.432 2.264 20 30 DEEDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)c(F)c1 ZINC000271909440 209314790 /nfs/dbraw/zinc/31/47/90/209314790.db2.gz AEZBLMWSFVXDPK-NSHDSACASA-N 0 3 310.394 2.173 20 30 DEEDHN C=CCn1c(COC)nnc1N1CCN(C2CCCCC2)CC1 ZINC000669814424 540891132 /nfs/dbraw/zinc/89/11/32/540891132.db2.gz PLAWXWBUBSSVDY-UHFFFAOYSA-N 0 3 319.453 2.065 20 30 DEEDHN CCc1nnc(N2CC[C@]3(C2)CCCN(C)C3)c(C#N)c1CC ZINC000292840243 223268742 /nfs/dbraw/zinc/26/87/42/223268742.db2.gz QKNMTHVBFWYZFW-GOSISDBHSA-N 0 3 313.449 2.395 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2n1CC#N ZINC000609200487 361289294 /nfs/dbraw/zinc/28/92/94/361289294.db2.gz HIEJEEAAEMBFEO-HNNXBMFYSA-N 0 3 310.401 2.379 20 30 DEEDHN CCC[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000608815878 361268824 /nfs/dbraw/zinc/26/88/24/361268824.db2.gz MVHIVOPFFPBITL-HOTGVXAUSA-N 0 3 300.406 2.102 20 30 DEEDHN CN1CC[C@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000609574058 361322488 /nfs/dbraw/zinc/32/24/88/361322488.db2.gz KNOCUXDIROTEBT-AAEUAGOBSA-N 0 3 311.307 2.338 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000609833224 361342065 /nfs/dbraw/zinc/34/20/65/361342065.db2.gz CCDMRMDGSPGRMC-HOCLYGCPSA-N 0 3 315.417 2.316 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(C(F)F)CC2)cc1 ZINC000610826306 361473496 /nfs/dbraw/zinc/47/34/96/361473496.db2.gz RHRRVJUMAWPPOM-HNNXBMFYSA-N 0 3 324.371 2.469 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000610947069 361495499 /nfs/dbraw/zinc/49/54/99/361495499.db2.gz FKYDZRLILMXLOG-RHSMWYFYSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCC(=O)N(C)CCC#N ZINC000611554333 361628914 /nfs/dbraw/zinc/62/89/14/361628914.db2.gz LWEOKBQLYWPHEM-RYUDHWBXSA-N 0 3 305.344 2.411 20 30 DEEDHN Cc1ccncc1[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000611939167 361707697 /nfs/dbraw/zinc/70/76/97/361707697.db2.gz OPQHDGNAEVKETC-ZBFHGGJFSA-N 0 3 311.385 2.352 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000675134213 541291908 /nfs/dbraw/zinc/29/19/08/541291908.db2.gz DNCWUHBVZAPWQM-DOTOQJQBSA-N 0 3 302.418 2.358 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619827474 363882265 /nfs/dbraw/zinc/88/22/65/363882265.db2.gz OBKBUDDRDMMSND-CQSZACIVSA-N 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/nfs/dbraw/zinc/05/37/58/243053758.db2.gz YRVIZLBALVSOED-QWHCGFSZSA-N 0 3 305.378 2.110 20 30 DEEDHN C=CCC[C@H](C(=O)NCCN(CC)CCO)c1ccccc1 ZINC000275138428 212144873 /nfs/dbraw/zinc/14/48/73/212144873.db2.gz QJEWMRDUDAQYQX-KRWDZBQOSA-N 0 3 304.434 2.167 20 30 DEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000678785495 541765229 /nfs/dbraw/zinc/76/52/29/541765229.db2.gz GHEVCRBNJBVOKT-TUKIKUTGSA-N 0 3 304.390 2.384 20 30 DEEDHN C=CCCCCCN(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000093498031 193260371 /nfs/dbraw/zinc/26/03/71/193260371.db2.gz DQSQQYGMQDKODE-UHFFFAOYSA-N 0 3 317.481 2.407 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)COc1ccccc1C#N ZINC000265015418 204344556 /nfs/dbraw/zinc/34/45/56/204344556.db2.gz VINAXYBYTAGHSP-MRXNPFEDSA-N 0 3 315.417 2.318 20 30 DEEDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000265079384 204384345 /nfs/dbraw/zinc/38/43/45/204384345.db2.gz PWNHNXYGVLIZHN-NSHDSACASA-N 0 3 317.780 2.025 20 30 DEEDHN CN(C)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000016467999 182045952 /nfs/dbraw/zinc/04/59/52/182045952.db2.gz VBBYRDILUMNEDL-GOSISDBHSA-N 0 3 323.396 2.356 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000454469502 245796847 /nfs/dbraw/zinc/79/68/47/245796847.db2.gz UPKJNSYBLNWQMI-GOEBONIOSA-N 0 3 309.454 2.093 20 30 DEEDHN Cc1nnc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000267903014 206327643 /nfs/dbraw/zinc/32/76/43/206327643.db2.gz CCQCIPFTKYKSTP-STQMWFEESA-N 0 3 317.437 2.266 20 30 DEEDHN Cc1cc(NC(=O)c2cnccc2C#N)ccc1OCCN(C)C ZINC000458218850 248212194 /nfs/dbraw/zinc/21/21/94/248212194.db2.gz RJZDLFDQMSNBBI-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN([C@H](C)CC)CC2)CC1 ZINC000458318313 248261028 /nfs/dbraw/zinc/26/10/28/248261028.db2.gz JFQRJYSDBPDVSM-MRXNPFEDSA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000268177642 206519198 /nfs/dbraw/zinc/51/91/98/206519198.db2.gz RYKCPYAOVZKWRA-UHFFFAOYSA-N 0 3 322.449 2.146 20 30 DEEDHN CCC#C[C@H](C)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711826 542194622 /nfs/dbraw/zinc/19/46/22/542194622.db2.gz QZSIVNIUNQJYCA-PKOBYXMFSA-N 0 3 300.446 2.357 20 30 DEEDHN COc1ccc(CCCNCc2cnc3c(C#N)cnn3c2)cc1 ZINC000556201888 291814541 /nfs/dbraw/zinc/81/45/41/291814541.db2.gz FSYXBSNKDHFHFJ-UHFFFAOYSA-N 0 3 321.384 2.332 20 30 DEEDHN CN1C[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000538702861 285049759 /nfs/dbraw/zinc/04/97/59/285049759.db2.gz DZFROIXVFBKPGJ-OALUTQOASA-N 0 3 319.408 2.315 20 30 DEEDHN C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000272926915 210313705 /nfs/dbraw/zinc/31/37/05/210313705.db2.gz KTBZOJJGIQPKKT-AWEZNQCLSA-N 0 3 312.417 2.350 20 30 DEEDHN COCC1(C#N)CCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000341999707 533109045 /nfs/dbraw/zinc/10/90/45/533109045.db2.gz XZKVRJWOEWCXMY-UHFFFAOYSA-N 0 3 321.465 2.325 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC3(CC2)OCCO3)c1 ZINC000155579525 197068179 /nfs/dbraw/zinc/06/81/79/197068179.db2.gz BJRQAMCQKQMFNB-UHFFFAOYSA-N 0 3 302.374 2.166 20 30 DEEDHN CCn1nccc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289831200 221256665 /nfs/dbraw/zinc/25/66/65/221256665.db2.gz OURKWDPMDOLIIW-UHFFFAOYSA-N 0 3 311.433 2.338 20 30 DEEDHN N#Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1F ZINC000289968887 221349219 /nfs/dbraw/zinc/34/92/19/221349219.db2.gz XHJGOBACVIYOBE-UHFFFAOYSA-N 0 3 302.353 2.446 20 30 DEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C\CN(C)C ZINC000493780683 533509030 /nfs/dbraw/zinc/50/90/30/533509030.db2.gz DPWDPPKVOXAIEP-FPLPWBNLSA-N 0 3 304.438 2.487 20 30 DEEDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)C(=O)Nc1cccc(C#N)c1 ZINC000355333742 133018100 /nfs/dbraw/zinc/01/81/00/133018100.db2.gz COUWFGHEFUNWER-YDHLFZDLSA-N 0 3 301.390 2.290 20 30 DEEDHN Cc1nc(SCC(=O)NC[C@@H](C)N(C)C)c(C#N)c(C)c1C ZINC000357864608 133105946 /nfs/dbraw/zinc/10/59/46/133105946.db2.gz OVYOHXUIZWWLSA-SNVBAGLBSA-N 0 3 320.462 2.037 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000376557614 133300361 /nfs/dbraw/zinc/30/03/61/133300361.db2.gz KJJKRJAPHURTIN-MSOLQXFVSA-N 0 3 309.369 2.140 20 30 DEEDHN CC(C)C[C@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000563149086 292034589 /nfs/dbraw/zinc/03/45/89/292034589.db2.gz DULONWPSCHMSKE-HOTGVXAUSA-N 0 3 313.405 2.284 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc4c[nH]nc43)C2)nc1 ZINC000564029216 292083546 /nfs/dbraw/zinc/08/35/46/292083546.db2.gz WUDLDIHFJAVVBX-INIZCTEOSA-N 0 3 319.368 2.483 20 30 DEEDHN CCn1cc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000297149420 404473211 /nfs/dbraw/zinc/47/32/11/404473211.db2.gz LUXSWDJHFMXXNH-CJNGLKHVSA-N 0 3 321.384 2.334 20 30 DEEDHN Cc1noc2ncc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)cc12 ZINC000329858287 404474236 /nfs/dbraw/zinc/47/42/36/404474236.db2.gz ZYVBAPNOSMJBBX-YMTOWFKASA-N 0 3 300.362 2.319 20 30 DEEDHN N#Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CCNCC3)cn1)CC2 ZINC000564822893 292113044 /nfs/dbraw/zinc/11/30/44/292113044.db2.gz TUVSZYLMJWWPMZ-SFHVURJKSA-N 0 3 319.412 2.462 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000346158863 146026739 /nfs/dbraw/zinc/02/67/39/146026739.db2.gz CKYZYSDVSUIANZ-DCGLDWPTSA-N 0 3 315.392 2.500 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348520978 146281096 /nfs/dbraw/zinc/28/10/96/146281096.db2.gz MNRHDJIIAJOCGA-STQMWFEESA-N 0 3 309.316 2.247 20 30 DEEDHN COC(=O)[C@]1(C)CN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000374365084 148236427 /nfs/dbraw/zinc/23/64/27/148236427.db2.gz NJQRYORBSYJOQM-SJKOYZFVSA-N 0 3 302.374 2.198 20 30 DEEDHN C#CCOc1cccc(NC(=O)NCCN(CC)C2CC2)c1 ZINC000111765579 401723266 /nfs/dbraw/zinc/72/32/66/401723266.db2.gz AQZDXURTWKNNKN-UHFFFAOYSA-N 0 3 301.390 2.304 20 30 DEEDHN COCCCN(C)CCNC1CC(C#N)(c2ccccc2)C1 ZINC000127402643 401733412 /nfs/dbraw/zinc/73/34/12/401733412.db2.gz VMAPTXBALDSAKA-UHFFFAOYSA-N 0 3 301.434 2.168 20 30 DEEDHN COCC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000112353297 401740172 /nfs/dbraw/zinc/74/01/72/401740172.db2.gz RDXCZMUTUAAGQS-UHFFFAOYSA-N 0 3 307.419 2.307 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ccnc(C(N)=O)c1)C(C)C ZINC000114184391 401793763 /nfs/dbraw/zinc/79/37/63/401793763.db2.gz FTDJYUKPUUTRFJ-MRXNPFEDSA-N 0 3 302.422 2.291 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000024750344 401830483 /nfs/dbraw/zinc/83/04/83/401830483.db2.gz FAQRPJCDQWGZNS-DZGCQCFKSA-N 0 3 303.406 2.374 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCn1ccnc1C ZINC000130471220 401832997 /nfs/dbraw/zinc/83/29/97/401832997.db2.gz YGTQLWWVXRQIMV-OAHLLOKOSA-N 0 3 306.454 2.327 20 30 DEEDHN CCc1ccc([C@@H](CNC(=O)CSCC#N)N(C)C)cc1 ZINC000046024418 401964326 /nfs/dbraw/zinc/96/43/26/401964326.db2.gz ZVPUFGNTWHYYSN-OAHLLOKOSA-N 0 3 305.447 2.225 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000047773896 401988724 /nfs/dbraw/zinc/98/87/24/401988724.db2.gz WIUDKJUMXNJOPW-INIZCTEOSA-N 0 3 317.458 2.392 20 30 DEEDHN COc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1C#N ZINC000120595459 401995244 /nfs/dbraw/zinc/99/52/44/401995244.db2.gz UNCXVAOHXZGMGG-INIZCTEOSA-N 0 3 308.385 2.330 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@@H](C(=O)NC)C2)cc1 ZINC000093360966 402014663 /nfs/dbraw/zinc/01/46/63/402014663.db2.gz QMZQAIYZVIVELO-MRXNPFEDSA-N 0 3 300.402 2.047 20 30 DEEDHN C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(N(C)CCC#N)cc1 ZINC000151220717 402023873 /nfs/dbraw/zinc/02/38/73/402023873.db2.gz FSNVOQDVRVFBFG-MAUKXSAKSA-N 0 3 317.433 2.320 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1O)C(C)C ZINC000103306370 402184634 /nfs/dbraw/zinc/18/46/34/402184634.db2.gz POKSNFMTKCZTCG-BBWFWOEESA-N 0 3 323.481 2.288 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@@H]2CCCO2)CC1 ZINC000124649746 402189807 /nfs/dbraw/zinc/18/98/07/402189807.db2.gz MZJFZOWNAIIOOU-CVEARBPZSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000124724551 402194284 /nfs/dbraw/zinc/19/42/84/402194284.db2.gz NBKAYRVXRGBXJL-DZGCQCFKSA-N 0 3 303.406 2.436 20 30 DEEDHN CN(CCCNC(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000107437357 402232778 /nfs/dbraw/zinc/23/27/78/402232778.db2.gz BFTYJHQKPISBGR-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN CC(C)(C)CNC(=O)C(C)(C)NCCOc1ccccc1C#N ZINC000155445849 402257084 /nfs/dbraw/zinc/25/70/84/402257084.db2.gz GOCKRNPBFUQVET-UHFFFAOYSA-N 0 3 317.433 2.468 20 30 DEEDHN N#Cc1cccc(OCCN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156366623 402280626 /nfs/dbraw/zinc/28/06/26/402280626.db2.gz NLSBRIGVUKQRQO-SFHVURJKSA-N 0 3 309.369 2.485 20 30 DEEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCC(C)(C)C#N ZINC000157422729 402294515 /nfs/dbraw/zinc/29/45/15/402294515.db2.gz FIOCTXMYXLTZON-LBPRGKRZSA-N 0 3 309.435 2.267 20 30 DEEDHN N#Cc1ccc(C[NH2+]CCCNC(=O)c2cccc([O-])c2)s1 ZINC000176960255 402354626 /nfs/dbraw/zinc/35/46/26/402354626.db2.gz AZSLWRHGNXHIKR-UHFFFAOYSA-N 0 3 315.398 2.235 20 30 DEEDHN CC[C@@H](CNCc1cc(C#N)n(C)c1)NC(=O)OC(C)(C)C ZINC000227716457 402334075 /nfs/dbraw/zinc/33/40/75/402334075.db2.gz QDLSBJNWLAJPGM-ZDUSSCGKSA-N 0 3 306.410 2.290 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccco3)C2)CC1 ZINC000177785128 402435870 /nfs/dbraw/zinc/43/58/70/402435870.db2.gz CIGMGEXEUGMMBQ-INIZCTEOSA-N 0 3 319.405 2.013 20 30 DEEDHN C[C@@]1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCCS1 ZINC000163111863 402441962 /nfs/dbraw/zinc/44/19/62/402441962.db2.gz VJTAGNFGWWHAFZ-HNNXBMFYSA-N 0 3 324.471 2.207 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(C#N)cc1 ZINC000177314229 402390421 /nfs/dbraw/zinc/39/04/21/402390421.db2.gz AJRSUWWZBCTSKE-SJORKVTESA-N 0 3 312.417 2.055 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1sccc1C#N ZINC000177324155 402391630 /nfs/dbraw/zinc/39/16/30/402391630.db2.gz ZSJGLBWMOMIVGB-KGLIPLIRSA-N 0 3 318.446 2.117 20 30 DEEDHN CC1(CO)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000186886029 402469126 /nfs/dbraw/zinc/46/91/26/402469126.db2.gz PHBRKAYDIBHFQS-UHFFFAOYSA-N 0 3 307.419 2.043 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)cc1F)C1CCS(=O)(=O)CC1 ZINC000187173872 402486327 /nfs/dbraw/zinc/48/63/27/402486327.db2.gz BXBFTCIQRUUGRB-LLVKDONJSA-N 0 3 310.394 2.000 20 30 DEEDHN C#CCOc1ccc([C@@H](C)NCCNC(=O)c2ccco2)cc1 ZINC000178490039 402503902 /nfs/dbraw/zinc/50/39/02/402503902.db2.gz ZPBWDIXJMZYAKW-CQSZACIVSA-N 0 3 312.369 2.372 20 30 DEEDHN CCOC(=O)N1CCC([C@H](C)NC[C@@H](C#N)CCC#N)CC1 ZINC000187555124 402505079 /nfs/dbraw/zinc/50/50/79/402505079.db2.gz DPZIAMABAJWIPI-UONOGXRCSA-N 0 3 306.410 2.277 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCCOc2ccccc2C#N)C1(C)C ZINC000189991162 402569097 /nfs/dbraw/zinc/56/90/97/402569097.db2.gz NORDVICLDVJLRR-FUHWJXTLSA-N 0 3 318.417 2.093 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000171469007 402588915 /nfs/dbraw/zinc/58/89/15/402588915.db2.gz BCSJQQJPTDANCC-UHFFFAOYSA-N 0 3 321.808 2.217 20 30 DEEDHN CC[C@H](NCCCC#N)c1ccccc1OCC(=O)N(C)C ZINC000179730605 402598910 /nfs/dbraw/zinc/59/89/10/402598910.db2.gz NSUGTAGGLMFREH-HNNXBMFYSA-N 0 3 303.406 2.498 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C)cc(OC)c2O)CC1 ZINC000171619246 402602108 /nfs/dbraw/zinc/60/21/08/402602108.db2.gz LKZOPOMIPNNBRL-UHFFFAOYSA-N 0 3 304.390 2.089 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccccc2C)CC1 ZINC000171680170 402609148 /nfs/dbraw/zinc/60/91/48/402609148.db2.gz YQXBNRXIIZNFSN-UHFFFAOYSA-N 0 3 301.434 2.487 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(F)cc3nccnc32)CC1 ZINC000171715883 402613580 /nfs/dbraw/zinc/61/35/80/402613580.db2.gz LVKGOMUPUVFCRY-UHFFFAOYSA-N 0 3 314.364 2.149 20 30 DEEDHN C=CCN1CCC(NC(=O)Cn2c(C)nc3ccccc32)CC1 ZINC000171718025 402614362 /nfs/dbraw/zinc/61/43/62/402614362.db2.gz PPJFAUAMJCUHAR-UHFFFAOYSA-N 0 3 312.417 2.111 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000171729805 402615777 /nfs/dbraw/zinc/61/57/77/402615777.db2.gz PPIJMECYIOMDSB-INIZCTEOSA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](COC)c2ccccc2)CC1 ZINC000171732491 402616075 /nfs/dbraw/zinc/61/60/75/402616075.db2.gz VVXUDYUJGSSUOK-QGZVFWFLSA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc(C)cs2)CC1 ZINC000171733201 402616332 /nfs/dbraw/zinc/61/63/32/402616332.db2.gz QOPYFYIXZJUHIJ-LBPRGKRZSA-N 0 3 308.451 2.462 20 30 DEEDHN CC(C)N(C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000190653770 402616608 /nfs/dbraw/zinc/61/66/08/402616608.db2.gz UVYCCAGKSIOXTJ-UHFFFAOYSA-N 0 3 302.422 2.382 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(OC)cc2)CC1 ZINC000171739454 402616851 /nfs/dbraw/zinc/61/68/51/402616851.db2.gz CXHFMKKPOQKBMW-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000180875897 402628709 /nfs/dbraw/zinc/62/87/09/402628709.db2.gz WZOPCDOVRREEMU-YZSSSTSJSA-N 0 3 303.337 2.003 20 30 DEEDHN CC(C)OCCOC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000249435864 402629497 /nfs/dbraw/zinc/62/94/97/402629497.db2.gz IMYVYUYTWPTRDA-QAPCUYQASA-N 0 3 320.433 2.354 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCc1ccc(C#N)cc1 ZINC000249757576 402640562 /nfs/dbraw/zinc/64/05/62/402640562.db2.gz FBVFRJVYFRBGMZ-GJZGRUSLSA-N 0 3 314.433 2.478 20 30 DEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCCC#N ZINC000181316779 402640948 /nfs/dbraw/zinc/64/09/48/402640948.db2.gz UKXUFTVJXPAGDO-HNNXBMFYSA-N 0 3 302.422 2.500 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C#N)CC1 ZINC000181332270 402641732 /nfs/dbraw/zinc/64/17/32/402641732.db2.gz GAIZNFSPKFSFHW-OAHLLOKOSA-N 0 3 314.433 2.452 20 30 DEEDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000181663691 402653213 /nfs/dbraw/zinc/65/32/13/402653213.db2.gz TXBJKBIBGGOUSI-IUODEOHRSA-N 0 3 311.389 2.155 20 30 DEEDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000181663653 402653347 /nfs/dbraw/zinc/65/33/47/402653347.db2.gz TXBJKBIBGGOUSI-SWLSCSKDSA-N 0 3 311.389 2.155 20 30 DEEDHN C=CCc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc(OC)c1OC ZINC000262789827 402731733 /nfs/dbraw/zinc/73/17/33/402731733.db2.gz NASIGMJMLRYNHH-STQMWFEESA-N 0 3 318.417 2.255 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000174777241 402756679 /nfs/dbraw/zinc/75/66/79/402756679.db2.gz QPEOAAPGUXNWCT-RHSMWYFYSA-N 0 3 309.454 2.140 20 30 DEEDHN COc1ccccc1N1CC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1=O ZINC000193018984 402760759 /nfs/dbraw/zinc/76/07/59/402760759.db2.gz ZAFADUZUMDUTIH-KKUMJFAQSA-N 0 3 313.401 2.472 20 30 DEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cccc(F)c1C#N ZINC000263766862 402801167 /nfs/dbraw/zinc/80/11/67/402801167.db2.gz VRQPAEHKLVKNGX-MRXNPFEDSA-N 0 3 318.396 2.052 20 30 DEEDHN C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F ZINC000272161106 402904483 /nfs/dbraw/zinc/90/44/83/402904483.db2.gz VNHIJIIJYQELJJ-LOWVWBTDSA-N 0 3 305.344 2.360 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000278763771 402870557 /nfs/dbraw/zinc/87/05/57/402870557.db2.gz YCRWAUZCVLMSLT-LLVKDONJSA-N 0 3 307.375 2.000 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(OC)c(F)c2)CC1 ZINC000264512469 402885498 /nfs/dbraw/zinc/88/54/98/402885498.db2.gz UFRFHDYEBLSTPI-UHFFFAOYSA-N 0 3 306.381 2.143 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000278920224 402886073 /nfs/dbraw/zinc/88/60/73/402886073.db2.gz RSWBMQGUSSBUPH-VQIMIIECSA-N 0 3 316.445 2.437 20 30 DEEDHN CCCCOC[C@H](O)CN(CCOC)Cc1ccc(C#N)cc1 ZINC000280142510 402968429 /nfs/dbraw/zinc/96/84/29/402968429.db2.gz WTKIDHAXWQOYRH-GOSISDBHSA-N 0 3 320.433 2.184 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272511036 402946567 /nfs/dbraw/zinc/94/65/67/402946567.db2.gz WWIDEJRVKHWLLF-DZGCQCFKSA-N 0 3 314.389 2.125 20 30 DEEDHN CC(C)CCOCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279497390 402949134 /nfs/dbraw/zinc/94/91/34/402949134.db2.gz JUWFNJRRQDDLHR-QGZVFWFLSA-N 0 3 313.401 2.419 20 30 DEEDHN CC[C@]1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279842732 402964006 /nfs/dbraw/zinc/96/40/06/402964006.db2.gz AHIBHPZGTNIREE-FUHWJXTLSA-N 0 3 311.385 2.268 20 30 DEEDHN N#Cc1cccnc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273058240 402966788 /nfs/dbraw/zinc/96/67/88/402966788.db2.gz CORCWLYDVAILCF-KRWDZBQOSA-N 0 3 308.385 2.132 20 30 DEEDHN C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N(C)C1CC1 ZINC000279210372 402916683 /nfs/dbraw/zinc/91/66/83/402916683.db2.gz KWGHCMAODGEFPQ-GFCCVEGCSA-N 0 3 324.384 2.426 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000279294387 402927766 /nfs/dbraw/zinc/92/77/66/402927766.db2.gz YQCSHEJKHIRBEV-FUHWJXTLSA-N 0 3 302.418 2.267 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000279348030 402933070 /nfs/dbraw/zinc/93/30/70/402933070.db2.gz FCGTURUVJURQGS-QGZVFWFLSA-N 0 3 306.406 2.201 20 30 DEEDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2C#N)CCSC1 ZINC000267150243 403019816 /nfs/dbraw/zinc/01/98/16/403019816.db2.gz ZPYVMANNNNSQEA-CQSZACIVSA-N 0 3 306.391 2.316 20 30 DEEDHN C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000280266010 402981351 /nfs/dbraw/zinc/98/13/51/402981351.db2.gz JWLXXBYGCAFSHG-KDOFPFPSSA-N 0 3 322.412 2.007 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCOC1)C(C)C ZINC000266710507 402985097 /nfs/dbraw/zinc/98/50/97/402985097.db2.gz YSCIXNADEORLFR-BRWVUGGUSA-N 0 3 323.481 2.409 20 30 DEEDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CCSC1 ZINC000274243382 403038417 /nfs/dbraw/zinc/03/84/17/403038417.db2.gz UWBUOTVKFKFJDU-AWEZNQCLSA-N 0 3 306.391 2.316 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc(F)cc2C#N)CCSC1 ZINC000267971294 403041528 /nfs/dbraw/zinc/04/15/28/403041528.db2.gz NDYRDTOYECRGEA-OAHLLOKOSA-N 0 3 322.409 2.256 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000268135300 403052931 /nfs/dbraw/zinc/05/29/31/403052931.db2.gz PKOOQPSFGUMFRC-IGCXYCKISA-N 0 3 312.417 2.401 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281210094 403060870 /nfs/dbraw/zinc/06/08/70/403060870.db2.gz DBJJCLYFHDCGOE-KSZLIROESA-N 0 3 323.396 2.338 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cc(C)cc(Cl)n2)CC1 ZINC000281795820 403092794 /nfs/dbraw/zinc/09/27/94/403092794.db2.gz PGNMDHVWEYCGQM-UHFFFAOYSA-N 0 3 305.809 2.005 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ccc(C#N)cn1 ZINC000268324219 403073595 /nfs/dbraw/zinc/07/35/95/403073595.db2.gz NTPOLOFLLPURIF-UHFFFAOYSA-N 0 3 305.385 2.393 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000268553967 403094102 /nfs/dbraw/zinc/09/41/02/403094102.db2.gz NPCABWPPFQPJKC-HNNXBMFYSA-N 0 3 306.406 2.109 20 30 DEEDHN C=CCC[C@@H](O)CN(CCOCCOC)Cc1ccccc1 ZINC000268495568 403088422 /nfs/dbraw/zinc/08/84/22/403088422.db2.gz SPTLHZLBQMIFDT-GOSISDBHSA-N 0 3 307.434 2.479 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)CC(C)(C)O)C1=O ZINC000282005516 403112739 /nfs/dbraw/zinc/11/27/39/403112739.db2.gz NXLMLRMXARHFQG-INIZCTEOSA-N 0 3 302.418 2.046 20 30 DEEDHN C=CCN1CC[C@H](N(CCCO)[C@H]2CCc3ccccc32)C1=O ZINC000282120878 403124461 /nfs/dbraw/zinc/12/44/61/403124461.db2.gz XVBSRQNBRHQASS-ROUUACIJSA-N 0 3 314.429 2.145 20 30 DEEDHN C=CCC(CC=C)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270593445 403203200 /nfs/dbraw/zinc/20/32/00/403203200.db2.gz FNDLZFZEROTAEC-UHFFFAOYSA-N 0 3 317.433 2.407 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(CC)CCc1cccs1 ZINC000270677447 403212201 /nfs/dbraw/zinc/21/22/01/403212201.db2.gz BOLIZEBMTHECDF-GFCCVEGCSA-N 0 3 309.435 2.013 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000276486495 403180240 /nfs/dbraw/zinc/18/02/40/403180240.db2.gz UGZACMWAWBUVKE-AWEZNQCLSA-N 0 3 320.433 2.259 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000276499065 403181479 /nfs/dbraw/zinc/18/14/79/403181479.db2.gz BWBTYIGQVCVMAS-DOTOQJQBSA-N 0 3 322.474 2.393 20 30 DEEDHN C=C[C@@H](CC(=O)N(CCOC)CCN(C)C)c1ccccc1 ZINC000270337631 403181889 /nfs/dbraw/zinc/18/18/89/403181889.db2.gz ZPNRMLIGJXOGQF-INIZCTEOSA-N 0 3 304.434 2.383 20 30 DEEDHN C[C@H](C#N)CN(C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284136441 403248522 /nfs/dbraw/zinc/24/85/22/403248522.db2.gz ONNZHZPPZVAHLJ-SJLPKXTDSA-N 0 3 301.434 2.369 20 30 DEEDHN Cc1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000284323607 403263360 /nfs/dbraw/zinc/26/33/60/403263360.db2.gz LXBMNVRWSRFJHN-UHFFFAOYSA-N 0 3 323.444 2.354 20 30 DEEDHN C=CCOc1cccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000284441895 403267602 /nfs/dbraw/zinc/26/76/02/403267602.db2.gz SUZDECYWEASDEQ-HZPDHXFCSA-N 0 3 304.434 2.138 20 30 DEEDHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc(C#N)c(C)n1 ZINC000566804146 292269440 /nfs/dbraw/zinc/26/94/40/292269440.db2.gz NWHQYDPYAVSPTH-MRXNPFEDSA-N 0 3 308.385 2.254 20 30 DEEDHN Cc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc(C#N)n1 ZINC000342726029 403324367 /nfs/dbraw/zinc/32/43/67/403324367.db2.gz LZAPJUKSXOCYJK-RTBURBONSA-N 0 3 322.412 2.309 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@H]3CCC[C@@H]3OC(F)F)n2c1 ZINC000342854006 403373270 /nfs/dbraw/zinc/37/32/70/403373270.db2.gz PXTZXNFOWGUIPT-STQMWFEESA-N 0 3 306.316 2.456 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCC[C@H]3OC(F)F)n2c1 ZINC000342854003 403373479 /nfs/dbraw/zinc/37/34/79/403373479.db2.gz PXTZXNFOWGUIPT-CHWSQXEVSA-N 0 3 306.316 2.456 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000298491986 403395871 /nfs/dbraw/zinc/39/58/71/403395871.db2.gz JBLMFJPPUCQBFU-GJZGRUSLSA-N 0 3 315.417 2.174 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1c[nH]nc1C)C(C)C ZINC000298678936 403438008 /nfs/dbraw/zinc/43/80/08/403438008.db2.gz OQKCISBNAPLKMN-INIZCTEOSA-N 0 3 319.453 2.216 20 30 DEEDHN CN(C)Cc1ccc(-c2noc(-c3cnn(C)c3C#N)n2)cc1 ZINC000345689616 403438256 /nfs/dbraw/zinc/43/82/56/403438256.db2.gz ANFDQPTXQVCJOC-UHFFFAOYSA-N 0 3 308.345 2.070 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000343056745 403447399 /nfs/dbraw/zinc/44/73/99/403447399.db2.gz ZTEYYNQISRRVMG-DJIMGWMZSA-N 0 3 302.418 2.182 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000345811522 403493489 /nfs/dbraw/zinc/49/34/89/403493489.db2.gz HFZAHKZEWJRVKL-RRFJBIMHSA-N 0 3 315.417 2.072 20 30 DEEDHN C=CCc1cc(CN[C@H]2CCC[C@H]2C(=O)NC)cc(OC)c1O ZINC000345818319 403496289 /nfs/dbraw/zinc/49/62/89/403496289.db2.gz OXEYKLKHPSTRHM-CABCVRRESA-N 0 3 318.417 2.134 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CC)[C@H](CC)c1ccccc1 ZINC000346719771 403599614 /nfs/dbraw/zinc/59/96/14/403599614.db2.gz ZDUNAMIQPIHYOL-OAHLLOKOSA-N 0 3 303.406 2.471 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc2ccccc2n1 ZINC000293933816 403603346 /nfs/dbraw/zinc/60/33/46/403603346.db2.gz IDJOGNRRQGLBRQ-VAWYXSNFSA-N 0 3 307.397 2.319 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000293848352 403579491 /nfs/dbraw/zinc/57/94/91/403579491.db2.gz AFHFCOMFYZJYPE-KBPBESRZSA-N 0 3 306.356 2.140 20 30 DEEDHN C=CCOCCCN[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000346877916 403606014 /nfs/dbraw/zinc/60/60/14/403606014.db2.gz MUZVDASAIYJVEI-SJLPKXTDSA-N 0 3 315.417 2.068 20 30 DEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000347064892 403614547 /nfs/dbraw/zinc/61/45/47/403614547.db2.gz IDLMKPVSAIHVRM-WDEREUQCSA-N 0 3 300.362 2.307 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000347109534 403616711 /nfs/dbraw/zinc/61/67/11/403616711.db2.gz PRQOTMACLFWMDR-MNOVXSKESA-N 0 3 322.206 2.304 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000294066361 403638672 /nfs/dbraw/zinc/63/86/72/403638672.db2.gz VLTJBUKZBCDKFV-UHFFFAOYSA-N 0 3 324.428 2.174 20 30 DEEDHN COCCNC(=O)[C@@H](CC(C)C)N[C@H](C)c1ccc(C#N)cc1 ZINC000347259306 403640272 /nfs/dbraw/zinc/64/02/72/403640272.db2.gz CVMHIDRQKRBUAF-RHSMWYFYSA-N 0 3 317.433 2.386 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000294077644 403642284 /nfs/dbraw/zinc/64/22/84/403642284.db2.gz WHYRHFZTAVGUSL-UHFFFAOYSA-N 0 3 317.389 2.205 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347355755 403677424 /nfs/dbraw/zinc/67/74/24/403677424.db2.gz DADGEEMLHVNXRB-ZDUSSCGKSA-N 0 3 301.365 2.444 20 30 DEEDHN N#CCCOCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000294430383 403719663 /nfs/dbraw/zinc/71/96/63/403719663.db2.gz DXHHZCCZSRVMPN-UHFFFAOYSA-N 0 3 316.327 2.469 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000333409191 403746276 /nfs/dbraw/zinc/74/62/76/403746276.db2.gz PIRJMCFNOKPFDO-XHSDSOJGSA-N 0 3 304.438 2.339 20 30 DEEDHN C(=N/OCCOC1CCC1)\c1ccc(N2CCOCC2)cc1 ZINC000288593471 403759392 /nfs/dbraw/zinc/75/93/92/403759392.db2.gz MBAMWQXHRWKXDN-NBVRZTHBSA-N 0 3 304.390 2.443 20 30 DEEDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000361705941 403812386 /nfs/dbraw/zinc/81/23/86/403812386.db2.gz UDAKBJSTSQOQEA-UHFFFAOYSA-N 0 3 318.377 2.013 20 30 DEEDHN N#CC(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccncn1 ZINC000354473733 403824852 /nfs/dbraw/zinc/82/48/52/403824852.db2.gz WDQMFSKOXSVJBK-AWEZNQCLSA-N 0 3 306.325 2.315 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](N2CCCCC2)C1 ZINC000341146064 403795394 /nfs/dbraw/zinc/79/53/94/403795394.db2.gz PCRZWVZHNHVUES-IAGOWNOFSA-N 0 3 307.482 2.360 20 30 DEEDHN N#CCCn1ccc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)n1 ZINC000289116444 403838574 /nfs/dbraw/zinc/83/85/74/403838574.db2.gz DGBJHJJDBLVJDM-KGLIPLIRSA-N 0 3 324.340 2.040 20 30 DEEDHN C=CCc1ccc(OCC(=O)NC[C@H]2CCCN2C)c(OC)c1 ZINC000347756569 403848948 /nfs/dbraw/zinc/84/89/48/403848948.db2.gz ZCHBQUHIXDNTIL-OAHLLOKOSA-N 0 3 318.417 2.013 20 30 DEEDHN Cc1noc(CCCN(C)CCOCc2ccc(C#N)cc2)n1 ZINC000344072465 403891325 /nfs/dbraw/zinc/89/13/25/403891325.db2.gz OUGCJDOFAYDQJK-UHFFFAOYSA-N 0 3 314.389 2.331 20 30 DEEDHN C#C[C@H](NCc1c(C)nn(CC(=O)OC(C)C)c1C)C(C)C ZINC000289337336 403917447 /nfs/dbraw/zinc/91/74/47/403917447.db2.gz HJQPLWPMXUTJMY-INIZCTEOSA-N 0 3 305.422 2.199 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000310144958 403965800 /nfs/dbraw/zinc/96/58/00/403965800.db2.gz DDUFMCJCFXAUJG-YOEHRIQHSA-N 0 3 320.396 2.346 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362070527 403923514 /nfs/dbraw/zinc/92/35/14/403923514.db2.gz XNWPHUUHMYGNLD-WMZOPIPTSA-N 0 3 319.493 2.239 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CC[C@@H](C)C1 ZINC000362156120 403929887 /nfs/dbraw/zinc/92/98/87/403929887.db2.gz MEXGYLPQGFHMSI-HLLBOEOZSA-N 0 3 309.454 2.178 20 30 DEEDHN CN(CCCN(C)Cc1ccco1)Cc1cc(C#N)n(C)c1 ZINC000289373995 403933829 /nfs/dbraw/zinc/93/38/29/403933829.db2.gz BDOXRPXUGBFXMP-UHFFFAOYSA-N 0 3 300.406 2.444 20 30 DEEDHN C=CCSc1ccccc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000362420965 403954079 /nfs/dbraw/zinc/95/40/79/403954079.db2.gz RTXIIGAWBRCQOX-MRXNPFEDSA-N 0 3 308.447 2.007 20 30 DEEDHN C#Cc1ccc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000289827757 404002162 /nfs/dbraw/zinc/00/21/62/404002162.db2.gz UGVRVJXDIMYRHF-AWEZNQCLSA-N 0 3 310.319 2.168 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000354775924 404004715 /nfs/dbraw/zinc/00/47/15/404004715.db2.gz TVKPSKTXODEHHJ-AWEZNQCLSA-N 0 3 308.447 2.279 20 30 DEEDHN N#Cc1cc(Br)cnc1N1CC[C@H](N2CCCC2)C1 ZINC000311566652 403970613 /nfs/dbraw/zinc/97/06/13/403970613.db2.gz ZDODPEBQVWPRPU-ZDUSSCGKSA-N 0 3 321.222 2.390 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000295536144 403978843 /nfs/dbraw/zinc/97/88/43/403978843.db2.gz KEXDMIHTSQGTGX-YRIIZNAFSA-N 0 3 315.417 2.223 20 30 DEEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@H]2OC(F)F)CCCCC1 ZINC000348522788 404076041 /nfs/dbraw/zinc/07/60/41/404076041.db2.gz ZRUHDCRNDCBVTL-NWDGAFQWSA-N 0 3 315.364 2.079 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1F ZINC000411973142 404037776 /nfs/dbraw/zinc/03/77/76/404037776.db2.gz PQIIMFJCXPECSK-DLBZAZTESA-N 0 3 323.371 2.398 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@H](OCC)C23CCCCC3)C1=O ZINC000348153667 404044604 /nfs/dbraw/zinc/04/46/04/404044604.db2.gz DHZZSDJXQRLJJV-XHSDSOJGSA-N 0 3 306.450 2.491 20 30 DEEDHN CC(C)(CN1CCOCC1)NCC#Cc1ccc(Cl)cc1 ZINC000412001842 404053606 /nfs/dbraw/zinc/05/36/06/404053606.db2.gz ILLXTAYGDXWXDP-UHFFFAOYSA-N 0 3 306.837 2.392 20 30 DEEDHN C=CCOCCN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009056 404055638 /nfs/dbraw/zinc/05/56/38/404055638.db2.gz IUXIZERIJDDDSR-QGZVFWFLSA-N 0 3 305.418 2.309 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000348319257 404058426 /nfs/dbraw/zinc/05/84/26/404058426.db2.gz UNFBOXPTOXKMAM-RHSMWYFYSA-N 0 3 315.417 2.239 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(C)CCC#N)C12CCCCC2 ZINC000348440341 404070119 /nfs/dbraw/zinc/07/01/19/404070119.db2.gz IXHMOEQQFGAACQ-HRCADAONSA-N 0 3 321.465 2.464 20 30 DEEDHN CCOC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000348469926 404072310 /nfs/dbraw/zinc/07/23/10/404072310.db2.gz PBJBPJQTZSLSAX-HNNXBMFYSA-N 0 3 309.454 2.322 20 30 DEEDHN CCn1cc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000296155103 404118571 /nfs/dbraw/zinc/11/85/71/404118571.db2.gz SNPNOGOKEDCLHU-ZDUSSCGKSA-N 0 3 311.389 2.454 20 30 DEEDHN Cn1cc(C(=O)NCC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cn1 ZINC000328783738 404150196 /nfs/dbraw/zinc/15/01/96/404150196.db2.gz VKUVMXUXUUEQBS-GDBMZVCRSA-N 0 3 315.421 2.129 20 30 DEEDHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328815860 404156386 /nfs/dbraw/zinc/15/63/86/404156386.db2.gz GMPASUYBCSCPLA-BMFZPTHFSA-N 0 3 310.438 2.259 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000349418295 404161991 /nfs/dbraw/zinc/16/19/91/404161991.db2.gz VNSKIWRAJHREBQ-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN CCC(=O)N[C@H]1CCCN(C[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000328897010 404170504 /nfs/dbraw/zinc/17/05/04/404170504.db2.gz CJFUGLHQBZQNBD-GRDNDAEWSA-N 0 3 320.437 2.329 20 30 DEEDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000363543758 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CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329114391 404234815 /nfs/dbraw/zinc/23/48/15/404234815.db2.gz SGSGMVNJKVYESM-JKSUJKDBSA-N 0 3 307.438 2.361 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352239051 404239379 /nfs/dbraw/zinc/23/93/79/404239379.db2.gz RWNIVFRCXKXFAU-OAGGEKHMSA-N 0 3 323.481 2.227 20 30 DEEDHN CCc1cnccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000567379387 292309933 /nfs/dbraw/zinc/30/99/33/292309933.db2.gz BDZOJKSBHRGPEE-KRWDZBQOSA-N 0 3 311.385 2.045 20 30 DEEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H]2CCCN2C)C1 ZINC000329256240 404281871 /nfs/dbraw/zinc/28/18/71/404281871.db2.gz XMGDTIMESHPBFC-XAJHFOFHSA-N 0 3 323.481 2.256 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000352325740 404289329 /nfs/dbraw/zinc/28/93/29/404289329.db2.gz WKSYTAQIGDOYFR-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC1(C)CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[C@H]1O ZINC000329410705 404329461 /nfs/dbraw/zinc/32/94/61/404329461.db2.gz 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404294495 /nfs/dbraw/zinc/29/44/95/404294495.db2.gz WDQWLLHUTFAPIU-WWGRRREGSA-N 0 3 317.437 2.476 20 30 DEEDHN Cc1nnsc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000344671445 404297391 /nfs/dbraw/zinc/29/73/91/404297391.db2.gz LOYLFVFDDWURCD-ZDUSSCGKSA-N 0 3 300.387 2.235 20 30 DEEDHN C[C@H](CNC(=O)NCc1nnc(C2CC2)o1)N1CCC(C)CC1 ZINC000329315612 404299530 /nfs/dbraw/zinc/29/95/30/404299530.db2.gz BDEBTSJXVRLBDX-GFCCVEGCSA-N 0 3 321.425 2.071 20 30 DEEDHN C=CC[C@@H](CO)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000342183728 404427665 /nfs/dbraw/zinc/42/76/65/404427665.db2.gz QWGWCPGFOKHTFZ-QGZVFWFLSA-N 0 3 316.445 2.199 20 30 DEEDHN C[C@H](O)C[C@@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350643352 404431921 /nfs/dbraw/zinc/43/19/21/404431921.db2.gz WLRQATUCJMDQTA-JQFCIGGWSA-N 0 3 311.385 2.002 20 30 DEEDHN CN(C)CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CC1 ZINC000356293527 404429164 /nfs/dbraw/zinc/42/91/64/404429164.db2.gz RFSKKXQWJZJDBL-UHFFFAOYSA-N 0 3 324.384 2.379 20 30 DEEDHN Cn1cc(CN(CCO)CC2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000352484557 404404082 /nfs/dbraw/zinc/40/40/82/404404082.db2.gz QWIIPULPZXQVLH-UHFFFAOYSA-N 0 3 310.401 2.163 20 30 DEEDHN C=CCN(Cc1[nH]ncc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000356210481 404405252 /nfs/dbraw/zinc/40/52/52/404405252.db2.gz FRFONXNFIVYVKH-AWEZNQCLSA-N 0 3 323.404 2.443 20 30 DEEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000352500321 404415531 /nfs/dbraw/zinc/41/55/31/404415531.db2.gz OLLOLAXTVIBJFV-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C)C[C@H]1C ZINC000351070937 404510790 /nfs/dbraw/zinc/51/07/90/404510790.db2.gz CCYRPARGOWBKBL-KGLIPLIRSA-N 0 3 324.432 2.273 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C(=O)NCCN3CCC[C@H](C)C3)C2)c1 ZINC000329733042 404435669 /nfs/dbraw/zinc/43/56/69/404435669.db2.gz QOZFNQXPUVDACJ-GOEBONIOSA-N 0 3 319.453 2.084 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]1C1CCOCC1 ZINC000329742880 404437607 /nfs/dbraw/zinc/43/76/07/404437607.db2.gz WVULWZBGYNSUMG-CZUORRHYSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]1C1CCOCC1 ZINC000329742880 404437613 /nfs/dbraw/zinc/43/76/13/404437613.db2.gz WVULWZBGYNSUMG-CZUORRHYSA-N 0 3 318.421 2.072 20 30 DEEDHN CC1CCN(CC(=O)NCc2c3c(nn2C)CCCC3)CC1 ZINC000329743563 404439189 /nfs/dbraw/zinc/43/91/89/404439189.db2.gz QCUIHWKAFUUFEF-UHFFFAOYSA-N 0 3 304.438 2.487 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)c2cccs2)cc1 ZINC000350686567 404444418 /nfs/dbraw/zinc/44/44/18/404444418.db2.gz WZZDNKPEHSQUHM-AWEZNQCLSA-N 0 3 323.377 2.301 20 30 DEEDHN C[C@](CO)(CNCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342211037 404444990 /nfs/dbraw/zinc/44/49/90/404444990.db2.gz MMGLJHGTLSHVFB-LJQANCHMSA-N 0 3 320.396 2.246 20 30 DEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000329816402 404460237 /nfs/dbraw/zinc/46/02/37/404460237.db2.gz VWVOPKCBQVGSLD-XNISGKROSA-N 0 3 309.454 2.034 20 30 DEEDHN Cc1nc([C@@H](NC(=O)C(C)C#N)c2ccc(Cl)cc2)no1 ZINC000356547396 404585117 /nfs/dbraw/zinc/58/51/17/404585117.db2.gz LISOXFDHIYDTGE-UFBFGSQYSA-N 0 3 304.737 2.397 20 30 DEEDHN CC(C)(C)n1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)nn1 ZINC000330048211 404537897 /nfs/dbraw/zinc/53/78/97/404537897.db2.gz JXIXPHPYRBOFJW-LBPRGKRZSA-N 0 3 305.426 2.355 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnn2C2CCCC2)CC1 ZINC000330070181 404543965 /nfs/dbraw/zinc/54/39/65/404543965.db2.gz HVWTYQRPFGYTLQ-UHFFFAOYSA-N 0 3 302.422 2.378 20 30 DEEDHN CCC1(CC)[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)[C@@H]1OC ZINC000345108677 404553229 /nfs/dbraw/zinc/55/32/29/404553229.db2.gz FWZCPTPJYXLFNO-YJNKXOJESA-N 0 3 321.465 2.367 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342410900 404561192 /nfs/dbraw/zinc/56/11/92/404561192.db2.gz PKUQDGSTPOZBRN-HUUCEWRRSA-N 0 3 315.417 2.345 20 30 DEEDHN CC(C(=O)NCC1CCCCC1)S(=O)(=O)[C@H]1CCOC1 ZINC000330157197 404569424 /nfs/dbraw/zinc/56/94/24/404569424.db2.gz ZEZWFRGWGNKGQM-YPMHNXCESA-N 0 3 303.424 2.115 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000330442669 404661073 /nfs/dbraw/zinc/66/10/73/404661073.db2.gz FLQNEIUYYZUFSH-KYJSFNMBSA-N 0 3 321.465 2.178 20 30 DEEDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000351489070 404601201 /nfs/dbraw/zinc/60/12/01/404601201.db2.gz BUVYKYFZACSSCZ-HOCLYGCPSA-N 0 3 321.808 2.291 20 30 DEEDHN C#CCO[C@H](C)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000297734095 404606224 /nfs/dbraw/zinc/60/62/24/404606224.db2.gz NRGBNNBUHHLLQE-CYBMUJFWSA-N 0 3 315.373 2.388 20 30 DEEDHN CCC[C@H]1CN(c2cc(C)nc(C#N)c2)CCN1CCOC ZINC000342492366 404612480 /nfs/dbraw/zinc/61/24/80/404612480.db2.gz LBJOMBMGEYOMGD-INIZCTEOSA-N 0 3 302.422 2.199 20 30 DEEDHN CC[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000330279309 404612922 /nfs/dbraw/zinc/61/29/22/404612922.db2.gz QVRQIZXOPHSVEB-PMPSAXMXSA-N 0 3 312.454 2.241 20 30 DEEDHN Cn1cc(CN2CC[C@@](O)(C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000373908224 404636558 /nfs/dbraw/zinc/63/65/58/404636558.db2.gz HPMBRRVZLNYUIX-IBGZPJMESA-N 0 3 322.412 2.306 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000357809299 404744383 /nfs/dbraw/zinc/74/43/83/404744383.db2.gz RGZZSZOFTWWNJR-GFCCVEGCSA-N 0 3 300.362 2.090 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC000375888366 404766701 /nfs/dbraw/zinc/76/67/01/404766701.db2.gz GNZLDPIWTUHWRW-IBGZPJMESA-N 0 3 312.461 2.159 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CO)CC2CCCC2)CC1 ZINC000358969015 404780255 /nfs/dbraw/zinc/78/02/55/404780255.db2.gz AYEFVURSQXEROY-INIZCTEOSA-N 0 3 323.481 2.125 20 30 DEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCCO1 ZINC000366343269 404787538 /nfs/dbraw/zinc/78/75/38/404787538.db2.gz ROOLJOIJORAOGE-INIZCTEOSA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@@H]1CCC[C@]1(O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000359857986 404807069 /nfs/dbraw/zinc/80/70/69/404807069.db2.gz OXOXSLFQMMXLPL-KYJSFNMBSA-N 0 3 300.402 2.426 20 30 DEEDHN N#CC(C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000359914686 404809388 /nfs/dbraw/zinc/80/93/88/404809388.db2.gz BIRGVZOIBALHOL-GFCCVEGCSA-N 0 3 300.249 2.375 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccco1 ZINC000353355783 404811104 /nfs/dbraw/zinc/81/11/04/404811104.db2.gz UGPDTCHXWHSKRS-SMDDNHRTSA-N 0 3 300.362 2.339 20 30 DEEDHN C=CCCS(=O)(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000360204123 404821857 /nfs/dbraw/zinc/82/18/57/404821857.db2.gz UAFFGEKSXGEUFG-CQSZACIVSA-N 0 3 302.484 2.383 20 30 DEEDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)C#N)N(C)C)cc1 ZINC000360299443 404824673 /nfs/dbraw/zinc/82/46/73/404824673.db2.gz QPSHPHKJDNUNIS-BBRMVZONSA-N 0 3 303.406 2.352 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451181288 404890879 /nfs/dbraw/zinc/89/08/79/404890879.db2.gz HPKKRKFOVNMBCO-IIAWOOMASA-N 0 3 315.417 2.265 20 30 DEEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000353572839 404868624 /nfs/dbraw/zinc/86/86/24/404868624.db2.gz ZGQUMWOMTWGCDJ-JQWIXIFHSA-N 0 3 312.797 2.202 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccnn2CC(F)F)nc(C)n1 ZINC000434624276 404916702 /nfs/dbraw/zinc/91/67/02/404916702.db2.gz GJBMEVDOSUOJHP-JTQLQIEISA-N 0 3 305.288 2.045 20 30 DEEDHN CCN(CCCN1CCCC1)S(=O)(=O)CC(C)(C)CC#N ZINC000451455266 405003869 /nfs/dbraw/zinc/00/38/69/405003869.db2.gz QPAVMVVFNNKLAC-UHFFFAOYSA-N 0 3 315.483 2.064 20 30 DEEDHN COCCCOc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424095188 405004843 /nfs/dbraw/zinc/00/48/43/405004843.db2.gz ADYWYDIFPHGWSA-CYBMUJFWSA-N 0 3 305.378 2.062 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OC(F)F)cc1 ZINC000424104882 405007075 /nfs/dbraw/zinc/00/70/75/405007075.db2.gz VCAJCFPLIFOIMT-GWCFXTLKSA-N 0 3 311.332 2.486 20 30 DEEDHN COc1ccc(C(C)(C)CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424112182 405010155 /nfs/dbraw/zinc/01/01/55/405010155.db2.gz JDMFVBINNWZYEV-OAHLLOKOSA-N 0 3 303.406 2.110 20 30 DEEDHN C[C@@H](Cc1nc2ccccc2s1)NC(=O)[C@@H](N)CCCC#N ZINC000424114279 405011150 /nfs/dbraw/zinc/01/11/50/405011150.db2.gz QVLVVIGZJYBEQV-RYUDHWBXSA-N 0 3 316.430 2.365 20 30 DEEDHN CC(C)c1ccccc1OCCNC(=O)[C@H](N)CCCC#N ZINC000424118561 405012581 /nfs/dbraw/zinc/01/25/81/405012581.db2.gz BTBCARTZPIYENP-OAHLLOKOSA-N 0 3 303.406 2.326 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCCC[C@H]1C(=O)OCC ZINC000451594027 405014046 /nfs/dbraw/zinc/01/40/46/405014046.db2.gz VAOONUIGLZVZMU-XHSDSOJGSA-N 0 3 322.449 2.287 20 30 DEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(Cl)c1 ZINC000424127335 405015373 /nfs/dbraw/zinc/01/53/73/405015373.db2.gz QKRKKLSHYMGBGD-BXUZGUMPSA-N 0 3 309.797 2.245 20 30 DEEDHN CN(C)[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000424132783 405016512 /nfs/dbraw/zinc/01/65/12/405016512.db2.gz IQSLZAPPRNLTMG-CABCVRRESA-N 0 3 322.840 2.080 20 30 DEEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C ZINC000416065828 405018063 /nfs/dbraw/zinc/01/80/63/405018063.db2.gz SMNLRGWOOOYDJU-IAGOWNOFSA-N 0 3 313.401 2.418 20 30 DEEDHN CC(C)Cn1cc(NC(=O)[C@@H](N)CCCC#N)c(C(F)F)n1 ZINC000424171923 405027887 /nfs/dbraw/zinc/02/78/87/405027887.db2.gz MSZRKTQWUFBUNC-JTQLQIEISA-N 0 3 313.352 2.436 20 30 DEEDHN CCCOc1ccc(CNC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424164737 405028075 /nfs/dbraw/zinc/02/80/75/405028075.db2.gz CSPVFTZUKJHUDQ-MRXNPFEDSA-N 0 3 303.406 2.421 20 30 DEEDHN CC(C)(C)c1nc(CCNC(=O)[C@@H](N)CCCC#N)cs1 ZINC000424167052 405028187 /nfs/dbraw/zinc/02/81/87/405028187.db2.gz GNFSHDYPMJLZQR-LBPRGKRZSA-N 0 3 308.451 2.120 20 30 DEEDHN C=CCn1cc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424175161 405029985 /nfs/dbraw/zinc/02/99/85/405029985.db2.gz SRNVCIOGBWVOGP-YJBOKZPZSA-N 0 3 311.433 2.074 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000424186848 405033676 /nfs/dbraw/zinc/03/36/76/405033676.db2.gz HXWNYJJHBFOSHJ-ZIAGYGMSSA-N 0 3 305.353 2.177 20 30 DEEDHN C=CCN(CCC#N)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415969388 404986897 /nfs/dbraw/zinc/98/68/97/404986897.db2.gz GPJCMUHWKSRWHH-UHFFFAOYSA-N 0 3 300.362 2.102 20 30 DEEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](N)CCCC#N ZINC000424063326 404991374 /nfs/dbraw/zinc/99/13/74/404991374.db2.gz MHASCZRNOKXQBG-OAHLLOKOSA-N 0 3 311.389 2.449 20 30 DEEDHN C[C@H](OCCCNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424065025 404991820 /nfs/dbraw/zinc/99/18/20/404991820.db2.gz LEOHEIUCMGQQPW-GOEBONIOSA-N 0 3 303.406 2.292 20 30 DEEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424070797 404993693 /nfs/dbraw/zinc/99/36/93/404993693.db2.gz ASYFBPWOOFCJMP-DOMZBBRYSA-N 0 3 313.405 2.397 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000424088314 405001052 /nfs/dbraw/zinc/00/10/52/405001052.db2.gz GTQOFQSRGOUSTH-JKSUJKDBSA-N 0 3 317.389 2.204 20 30 DEEDHN CC[C@H](C)N1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000451821656 405053107 /nfs/dbraw/zinc/05/31/07/405053107.db2.gz HNIGPEGVANHPTK-ZDUSSCGKSA-N 0 3 320.462 2.364 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)NC2(C#N)CCC2)C12CCCCC2 ZINC000367558646 405081885 /nfs/dbraw/zinc/08/18/85/405081885.db2.gz DIBNTCZAZFFTFI-HUUCEWRRSA-N 0 3 319.449 2.266 20 30 DEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000416397184 405129374 /nfs/dbraw/zinc/12/93/74/405129374.db2.gz IATOKNHODWJYQI-GHMZBOCLSA-N 0 3 313.279 2.003 20 30 DEEDHN COc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)ccc1OCCN(C)C ZINC000416331952 405107678 /nfs/dbraw/zinc/10/76/78/405107678.db2.gz DVJMANZHJUQKDD-SJCJKPOMSA-N 0 3 317.389 2.124 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000452034942 405135239 /nfs/dbraw/zinc/13/52/39/405135239.db2.gz MMXPPLYIZKGYLW-CHWSQXEVSA-N 0 3 307.419 2.496 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418648626 405149387 /nfs/dbraw/zinc/14/93/87/405149387.db2.gz HWXPZSSUEMMGJI-INIZCTEOSA-N 0 3 305.422 2.093 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)N(CC)CCC#N)C1(CC)CC ZINC000429351381 286537984 /nfs/dbraw/zinc/53/79/84/286537984.db2.gz SNVYYUXMJYIJCI-GJZGRUSLSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000425269306 405266242 /nfs/dbraw/zinc/26/62/42/405266242.db2.gz QNCXXDUPWZUVQC-GFCCVEGCSA-N 0 3 300.362 2.387 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](O)C1)C(C)C ZINC000439281285 405273244 /nfs/dbraw/zinc/27/32/44/405273244.db2.gz XYQFCTHVDUQMIR-BRWVUGGUSA-N 0 3 308.466 2.352 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2c(C)ccn2C)n1 ZINC000439656231 405288198 /nfs/dbraw/zinc/28/81/98/405288198.db2.gz RBEPJNWXWUEDQJ-JTQLQIEISA-N 0 3 317.370 2.457 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)NCC1(C#N)CCC1 ZINC000419631303 405260775 /nfs/dbraw/zinc/26/07/75/405260775.db2.gz UZYJALAYUSZKSV-UHFFFAOYSA-N 0 3 304.394 2.047 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC(F)(F)C1 ZINC000440572804 405317785 /nfs/dbraw/zinc/31/77/85/405317785.db2.gz XZAPYEVYWDSDID-UHFFFAOYSA-N 0 3 321.371 2.494 20 30 DEEDHN COc1cc(CNCCC(=O)NCc2ccccc2)ccc1C#N ZINC000440829581 405328291 /nfs/dbraw/zinc/32/82/91/405328291.db2.gz JEUOTBRBRBGRQC-UHFFFAOYSA-N 0 3 323.396 2.363 20 30 DEEDHN Cc1ccc([C@H](CN[C@H]2CC[C@@H](C#N)C2)N2CCOCC2)o1 ZINC000442638720 405335847 /nfs/dbraw/zinc/33/58/47/405335847.db2.gz UBKXMRFHAWCJKY-PMPSAXMXSA-N 0 3 303.406 2.243 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OCC)[C@H](C)C2)CC1 ZINC000454454169 405347554 /nfs/dbraw/zinc/34/75/54/405347554.db2.gz AJNMTJPKWMQDNM-NVXWUHKLSA-N 0 3 323.481 2.483 20 30 DEEDHN C=C(C)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000455303856 405395687 /nfs/dbraw/zinc/39/56/87/405395687.db2.gz BASOGOXWQNJGTH-HOTGVXAUSA-N 0 3 323.481 2.483 20 30 DEEDHN Cc1sc(NC(=O)CN(C)C[C@@H]2CCCN2C)c(C#N)c1C ZINC000421003190 405425337 /nfs/dbraw/zinc/42/53/37/405425337.db2.gz MYPIMPYCRRGBNE-ZDUSSCGKSA-N 0 3 320.462 2.201 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000448689146 405436985 /nfs/dbraw/zinc/43/69/85/405436985.db2.gz GRPFENVPLHWRAX-XJKSGUPXSA-N 0 3 307.463 2.014 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000429714360 405444750 /nfs/dbraw/zinc/44/47/50/405444750.db2.gz FWKVMOZEXBDHAR-MRXNPFEDSA-N 0 3 315.461 2.404 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000429719090 405445426 /nfs/dbraw/zinc/44/54/26/405445426.db2.gz GITBYAJYKRPQAX-HNNXBMFYSA-N 0 3 321.469 2.231 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000448790450 405448638 /nfs/dbraw/zinc/44/86/38/405448638.db2.gz AFRDFPVDKFEEOA-HNNXBMFYSA-N 0 3 300.402 2.147 20 30 DEEDHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000492053448 405471352 /nfs/dbraw/zinc/47/13/52/405471352.db2.gz ZTBGQMBWSAUAER-BSDKJSHOSA-N 0 3 313.401 2.155 20 30 DEEDHN C[C@H]1CCN(C)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000430689407 405491437 /nfs/dbraw/zinc/49/14/37/405491437.db2.gz CPOMGWDNJKRZGY-ZDUSSCGKSA-N 0 3 303.431 2.468 20 30 DEEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000430759406 405504118 /nfs/dbraw/zinc/50/41/18/405504118.db2.gz GHIUOGFYLQJMPF-LBPRGKRZSA-N 0 3 307.419 2.403 20 30 DEEDHN CCOC(=O)COc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430778513 405507805 /nfs/dbraw/zinc/50/78/05/405507805.db2.gz SGUSXOCTNDZQRN-UHFFFAOYSA-N 0 3 302.374 2.412 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2ccccc2)s1 ZINC000577842491 405523981 /nfs/dbraw/zinc/52/39/81/405523981.db2.gz ZBLWGELCICHEQG-AWEZNQCLSA-N 0 3 302.399 2.287 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458736489 405565443 /nfs/dbraw/zinc/56/54/43/405565443.db2.gz OJSGZQDIBHYSOH-ZOBUZTSGSA-N 0 3 321.465 2.093 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@](COC)(C(=O)OC)C2)cc1 ZINC000449454273 405568239 /nfs/dbraw/zinc/56/82/39/405568239.db2.gz OLNLTCBWLHVQRU-SFHVURJKSA-N 0 3 319.401 2.263 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000458755323 405573543 /nfs/dbraw/zinc/57/35/43/405573543.db2.gz DYUNLRWBILCRFW-XGUBFFRZSA-N 0 3 321.421 2.352 20 30 DEEDHN C[C@@H](Cc1ccc(O)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000557179370 405582050 /nfs/dbraw/zinc/58/20/50/405582050.db2.gz OZFIPGZEVAPTRZ-LBPRGKRZSA-N 0 3 307.357 2.027 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@]2(C)CCO[C@H]2C)c(C#N)c1C ZINC000494283612 405672727 /nfs/dbraw/zinc/67/27/27/405672727.db2.gz XMAJWBRCPICYEZ-NHYWBVRUSA-N 0 3 307.419 2.332 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000459043721 405711329 /nfs/dbraw/zinc/71/13/29/405711329.db2.gz PDVFNVPQTBMPBZ-SIRPWMCASA-N 0 3 321.465 2.092 20 30 DEEDHN C=C(CC)CNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000459085819 405737031 /nfs/dbraw/zinc/73/70/31/405737031.db2.gz WECRCEUPVFPHNO-UHFFFAOYSA-N 0 3 322.497 2.012 20 30 DEEDHN C=C(CC)CNC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000459090437 405740426 /nfs/dbraw/zinc/74/04/26/405740426.db2.gz ZLYMZUCYNJQGIX-UHFFFAOYSA-N 0 3 322.497 2.153 20 30 DEEDHN CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NNC1=N[C@@H](C)CN1 ZINC000495088505 405814913 /nfs/dbraw/zinc/81/49/13/405814913.db2.gz RDGRNUVZAFFAEY-QWHCGFSZSA-N 0 3 323.441 2.089 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCOCCC#N)CC[C@@H]21 ZINC000495660713 405929838 /nfs/dbraw/zinc/92/98/38/405929838.db2.gz CERKEADYVZDHEE-CABCVRRESA-N 0 3 323.437 2.248 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000495827412 405935636 /nfs/dbraw/zinc/93/56/36/405935636.db2.gz NJYHCBYKSRKIJO-RBSFLKMASA-N 0 3 321.421 2.396 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)C2CCCCC2)CC1 ZINC000531468105 405962560 /nfs/dbraw/zinc/96/25/60/405962560.db2.gz OGQWGQDOTVAIIS-KRWDZBQOSA-N 0 3 323.481 2.267 20 30 DEEDHN CCN(CCC(=O)OC)C(=O)C(C#N)CCc1ccccc1 ZINC000433303905 405917188 /nfs/dbraw/zinc/91/71/88/405917188.db2.gz MDRBYAOCYYTKJC-HNNXBMFYSA-N 0 3 302.374 2.171 20 30 DEEDHN CC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCCO1 ZINC000562500922 406019273 /nfs/dbraw/zinc/01/92/73/406019273.db2.gz QSUGBCDZLIUHQZ-ZDUSSCGKSA-N 0 3 307.419 2.449 20 30 DEEDHN C[C@H](CCCc1cccnc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000459634109 405992999 /nfs/dbraw/zinc/99/29/99/405992999.db2.gz HRRHMAFWJWHUII-RDTXWAMCSA-N 0 3 322.412 2.481 20 30 DEEDHN CC(C)(O)CN(Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC000532091405 406045464 /nfs/dbraw/zinc/04/54/64/406045464.db2.gz ZHCIIBWMICBTDQ-UHFFFAOYSA-N 0 3 306.381 2.449 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)N2CCC(CCC#N)CC2)CCSC1 ZINC000515349060 406059720 /nfs/dbraw/zinc/05/97/20/406059720.db2.gz QFXOWVCNFUGIHW-MRXNPFEDSA-N 0 3 324.494 2.149 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000565290523 406071392 /nfs/dbraw/zinc/07/13/92/406071392.db2.gz GBLHNYNRGQNLLS-QLFBSQMISA-N 0 3 319.449 2.265 20 30 DEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O ZINC000472588976 406141547 /nfs/dbraw/zinc/14/15/47/406141547.db2.gz LYEUDPLWQXWOHQ-BRWVUGGUSA-N 0 3 311.385 2.002 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)s1 ZINC000518749622 406155490 /nfs/dbraw/zinc/15/54/90/406155490.db2.gz LYYHDYJXLMXINT-ZDUSSCGKSA-N 0 3 318.446 2.436 20 30 DEEDHN CC(C)Oc1cccc([C@H](C)NC[C@H](O)CN(C)CCC#N)c1 ZINC000568077390 406189965 /nfs/dbraw/zinc/18/99/65/406189965.db2.gz PZTDKCBXIBCLBB-RDJZCZTQSA-N 0 3 319.449 2.331 20 30 DEEDHN CC1CC(C#N)(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000536824024 406278757 /nfs/dbraw/zinc/27/87/57/406278757.db2.gz YYNPXGWFPFJTOM-UHFFFAOYSA-N 0 3 312.417 2.354 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC000634781116 406280775 /nfs/dbraw/zinc/28/07/75/406280775.db2.gz LKGYVWNTLVADMV-SOUVJXGZSA-N 0 3 320.458 2.229 20 30 DEEDHN C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000521733595 406363181 /nfs/dbraw/zinc/36/31/81/406363181.db2.gz DYLWAAQCLXKINX-DZGCQCFKSA-N 0 3 300.406 2.260 20 30 DEEDHN CCC1CCC(N(CCO)CC(=O)N(CC)CCC#N)CC1 ZINC000488161326 406297582 /nfs/dbraw/zinc/29/75/82/406297582.db2.gz VBWQKYYECSLYTK-UHFFFAOYSA-N 0 3 309.454 2.012 20 30 DEEDHN CCC1CCC(N(CCO)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000488189234 406300422 /nfs/dbraw/zinc/30/04/22/406300422.db2.gz PZDSJLNPBQWLJI-PVARCSIZSA-N 0 3 321.465 2.058 20 30 DEEDHN C=CCCCS(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000489282505 406388857 /nfs/dbraw/zinc/38/88/57/406388857.db2.gz USSXNJPFXGPLHS-OAHLLOKOSA-N 0 3 300.468 2.233 20 30 DEEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H](O)CN(C)CCC#N ZINC000570444501 406393466 /nfs/dbraw/zinc/39/34/66/406393466.db2.gz QJETYIQMWNGHOS-LBTNJELSSA-N 0 3 319.424 2.245 20 30 DEEDHN CCCN(CC#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522176250 406397504 /nfs/dbraw/zinc/39/75/04/406397504.db2.gz SNCCJQSXFKPYFC-MRXNPFEDSA-N 0 3 300.406 2.056 20 30 DEEDHN CC(C)(C)[C@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000570516264 406404174 /nfs/dbraw/zinc/40/41/74/406404174.db2.gz SLIHAZAPPVXBTJ-LSDHHAIUSA-N 0 3 313.405 2.284 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3ccc(F)cc32)CC1 ZINC000490630106 406476783 /nfs/dbraw/zinc/47/67/83/406476783.db2.gz PGKJOGAJBBYCJJ-KRWDZBQOSA-N 0 3 300.377 2.274 20 30 DEEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C12CCCC2 ZINC000571611657 406541885 /nfs/dbraw/zinc/54/18/85/406541885.db2.gz WBEQRTAMUFMFSR-RBSFLKMASA-N 0 3 319.449 2.265 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000491202209 406543211 /nfs/dbraw/zinc/54/32/11/406543211.db2.gz MNVXBQUYPJBZGF-UHFFFAOYSA-N 0 3 322.355 2.249 20 30 DEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000491252418 406554781 /nfs/dbraw/zinc/55/47/81/406554781.db2.gz HXEHQFOHPUDYLD-VXGBXAGGSA-N 0 3 301.308 2.399 20 30 DEEDHN C#C[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000491266764 406557724 /nfs/dbraw/zinc/55/77/24/406557724.db2.gz QIBBZGCPONZTJA-HZPDHXFCSA-N 0 3 303.381 2.236 20 30 DEEDHN C#C[C@@H](CC)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000491276508 406558481 /nfs/dbraw/zinc/55/84/81/406558481.db2.gz JKYIXSKGQNCEMS-AWEZNQCLSA-N 0 3 309.479 2.059 20 30 DEEDHN C=CCOc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1OC ZINC000525804748 406504269 /nfs/dbraw/zinc/50/42/69/406504269.db2.gz NWKVIKIGHOBQMN-AWEZNQCLSA-N 0 3 318.417 2.332 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)CCCC(F)(F)F ZINC000491507359 406607676 /nfs/dbraw/zinc/60/76/76/406607676.db2.gz UWDMYACEBVRAGL-LBPRGKRZSA-N 0 3 307.360 2.362 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1sc(CC(C)C)nc1C ZINC000491516216 406609042 /nfs/dbraw/zinc/60/90/42/406609042.db2.gz RWYJKKBNBSXEHJ-UHFFFAOYSA-N 0 3 307.463 2.335 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC=C(c2ccccc2F)C1 ZINC000491340430 406571879 /nfs/dbraw/zinc/57/18/79/406571879.db2.gz XUHPXNROWITLFY-UHFFFAOYSA-N 0 3 315.392 2.189 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ocnc2C(F)(F)F)CC1 ZINC000635530489 406576586 /nfs/dbraw/zinc/57/65/86/406576586.db2.gz DSFBFESBCIZXKJ-UHFFFAOYSA-N 0 3 303.284 2.074 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000491383166 406582458 /nfs/dbraw/zinc/58/24/58/406582458.db2.gz KYPBZIBDEJNACI-HNNXBMFYSA-N 0 3 306.356 2.111 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000491394963 406584040 /nfs/dbraw/zinc/58/40/40/406584040.db2.gz PDUQNQSNETZFBT-UHFFFAOYSA-N 0 3 317.408 2.112 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000491394923 406584064 /nfs/dbraw/zinc/58/40/64/406584064.db2.gz ORFNQZDATYPTNV-AWEZNQCLSA-N 0 3 320.458 2.247 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1cnc2ccccc2c1 ZINC000491415569 406588967 /nfs/dbraw/zinc/58/89/67/406588967.db2.gz HOLSJKCIDSNODL-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C[C@@H](CNCc1cnc2c(C#N)cnn2c1)N(C)c1ccccc1 ZINC000549763778 406592088 /nfs/dbraw/zinc/59/20/88/406592088.db2.gz MXNRNATXOWUIBG-AWEZNQCLSA-N 0 3 320.400 2.215 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(OC2CCCC2)cc1 ZINC000491647714 406650013 /nfs/dbraw/zinc/65/00/13/406650013.db2.gz ZBYNSSJHFCSXSP-UHFFFAOYSA-N 0 3 300.402 2.237 20 30 DEEDHN C#C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(C)(C)C ZINC000491670907 406661568 /nfs/dbraw/zinc/66/15/68/406661568.db2.gz WABJWGYGWGRFDF-OAHLLOKOSA-N 0 3 306.450 2.186 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(/C=C/C)cc1OC ZINC000491682065 406667890 /nfs/dbraw/zinc/66/78/90/406667890.db2.gz PPPLISZSMHJHRV-AFDQWNBZSA-N 0 3 303.402 2.422 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 ZINC000491698122 406675329 /nfs/dbraw/zinc/67/53/29/406675329.db2.gz LRFOLLIBJSDPDX-IAGOWNOFSA-N 0 3 323.481 2.225 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccccc1OC(C)C ZINC000491738534 406696237 /nfs/dbraw/zinc/69/62/37/406696237.db2.gz REZXFZAVJBNXJF-UHFFFAOYSA-N 0 3 302.418 2.088 20 30 DEEDHN C#C[C@@H](CC)NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000491630899 406641724 /nfs/dbraw/zinc/64/17/24/406641724.db2.gz OMOXIUFPSPIHBP-ZDUSSCGKSA-N 0 3 309.406 2.040 20 30 DEEDHN Cc1ccc2oc(CNC[C@H](O)CN(C)CCC#N)cc2c1 ZINC000573022302 406767848 /nfs/dbraw/zinc/76/78/48/406767848.db2.gz ZTAFSPDRAQHMKZ-HNNXBMFYSA-N 0 3 301.390 2.037 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000491771132 406711044 /nfs/dbraw/zinc/71/10/44/406711044.db2.gz QBCQMMOBSGVAKN-INIZCTEOSA-N 0 3 323.440 2.485 20 30 DEEDHN C=CCC[C@H](CO)NCc1c(C)nn(C)c1OCC(F)(F)F ZINC000641760818 406886738 /nfs/dbraw/zinc/88/67/38/406886738.db2.gz WWHMZNLEIIYSPB-LLVKDONJSA-N 0 3 321.343 2.086 20 30 DEEDHN CC#CC[C@H](CO)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000641769768 406888363 /nfs/dbraw/zinc/88/83/63/406888363.db2.gz ZXXQNRKYTABSIK-MRXNPFEDSA-N 0 3 315.392 2.492 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)CC1 ZINC000645232897 407250980 /nfs/dbraw/zinc/25/09/80/407250980.db2.gz XAVLLEMTKHILKN-GASCZTMLSA-N 0 3 309.454 2.282 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CCC[C@H](C#N)C1 ZINC000193265973 225154913 /nfs/dbraw/zinc/15/49/13/225154913.db2.gz BZNXREAAISFKGU-WFASDCNBSA-N 0 3 300.406 2.341 20 30 DEEDHN C[C@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000330782292 226030688 /nfs/dbraw/zinc/03/06/88/226030688.db2.gz YYRXZCPRBXVTEG-ZDUSSCGKSA-N 0 3 315.417 2.343 20 30 DEEDHN C[C@H](NC(=O)c1ccccc1)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000330902795 226041497 /nfs/dbraw/zinc/04/14/97/226041497.db2.gz LIEHHJGJJANNQJ-OFQRWUPVSA-N 0 3 317.433 2.178 20 30 DEEDHN COc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331077376 226058395 /nfs/dbraw/zinc/05/83/95/226058395.db2.gz WDAMABMGWKCZLV-GHMZBOCLSA-N 0 3 307.350 2.391 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000339237586 226184346 /nfs/dbraw/zinc/18/43/46/226184346.db2.gz UVSZLEQYLPAYDZ-KRWDZBQOSA-N 0 3 321.380 2.174 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333426094 226106296 /nfs/dbraw/zinc/10/62/96/226106296.db2.gz SRARTTRBXNPKBW-GOEBONIOSA-N 0 3 319.449 2.028 20 30 DEEDHN CN(C(=O)NCC#Cc1cccc(F)c1)[C@@H]1CCN(C2CC2)C1 ZINC000338730706 226170074 /nfs/dbraw/zinc/17/00/74/226170074.db2.gz SSKFPWRTSSTBRZ-QGZVFWFLSA-N 0 3 315.392 2.055 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000291046975 222095354 /nfs/dbraw/zinc/09/53/54/222095354.db2.gz LUDFGWFBIOFFGZ-KSSFIOAISA-N 0 3 317.433 2.050 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COCC2CCCC2)C[C@@H]1C ZINC001328255949 1148756174 /nfs/dbraw/zinc/75/61/74/1148756174.db2.gz JPRQPOGXJCWOTR-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc(Br)cc1C#N ZINC000297519334 227249378 /nfs/dbraw/zinc/24/93/78/227249378.db2.gz OJEYCLZCVYTPDL-ZWNOBZJWSA-N 0 3 323.238 2.492 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(CCC(C)C)[nH]n2)CC1 ZINC000490717127 421193352 /nfs/dbraw/zinc/19/33/52/421193352.db2.gz AWIHLDBFDNYCEM-UHFFFAOYSA-N 0 3 302.422 2.282 20 30 DEEDHN CN1CCC(n2ccc(NCc3nc(C#N)cs3)n2)CC1 ZINC000514819651 421456743 /nfs/dbraw/zinc/45/67/43/421456743.db2.gz GGVBXASQERINRL-UHFFFAOYSA-N 0 3 302.407 2.090 20 30 DEEDHN COC1CCN(CCNc2ncc(Cl)c(C)c2C#N)CC1 ZINC000612084740 422480827 /nfs/dbraw/zinc/48/08/27/422480827.db2.gz HMXNGGVNBCKZJO-UHFFFAOYSA-N 0 3 308.813 2.438 20 30 DEEDHN Cc1cc(C#N)ccc1CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195305966 424882525 /nfs/dbraw/zinc/88/25/25/424882525.db2.gz KRGSCLSVXCVTHT-IYBDPMFKSA-N 0 3 301.434 2.408 20 30 DEEDHN CCCCc1nnc(NC(=O)N[C@H](C)C2=CCN(C)CC2)s1 ZINC000330775389 424910825 /nfs/dbraw/zinc/91/08/25/424910825.db2.gz SDXOXQFYKIPIJN-LLVKDONJSA-N 0 3 323.466 2.857 20 30 DEEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1N ZINC000569258935 424922311 /nfs/dbraw/zinc/92/23/11/424922311.db2.gz OCKHTJBEAQBSNN-INIZCTEOSA-N 0 3 307.401 2.612 20 30 DEEDHN C=CCOc1ccc(CNCCC(=O)Nc2cc(C)on2)cc1 ZINC000563882283 424900983 /nfs/dbraw/zinc/90/09/83/424900983.db2.gz WYIPVUCDMGGUHY-UHFFFAOYSA-N 0 3 315.373 2.666 20 30 DEEDHN N#Cc1ccnc(NCC2(N3CCCC3)CCOCC2)c1Cl ZINC000342045655 424957851 /nfs/dbraw/zinc/95/78/51/424957851.db2.gz PESAGLOTZUZNSZ-UHFFFAOYSA-N 0 3 320.824 2.664 20 30 DEEDHN C=CCC1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000649140700 424960619 /nfs/dbraw/zinc/96/06/19/424960619.db2.gz LVQHLGQUDDTMJW-MRXNPFEDSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)C[C@H](CO)C1 ZINC000420950783 424977409 /nfs/dbraw/zinc/97/74/09/424977409.db2.gz XJXJXHZJEZQJGH-XYJFISCASA-N 0 3 319.445 2.105 20 30 DEEDHN C[C@@H](c1ccccc1)N1CCC(Nc2cc(C#N)cnn2)CC1 ZINC000596132139 425019045 /nfs/dbraw/zinc/01/90/45/425019045.db2.gz HKPAENFDKBDYDW-AWEZNQCLSA-N 0 3 307.401 2.986 20 30 DEEDHN C=CCCn1cc(CN[C@H]2CCN(C)[C@H]2c2ccccc2)nn1 ZINC000653663838 425204740 /nfs/dbraw/zinc/20/47/40/425204740.db2.gz PEGVTHGNNBUJPD-ROUUACIJSA-N 0 3 311.433 2.389 20 30 DEEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000651725501 425144691 /nfs/dbraw/zinc/14/46/91/425144691.db2.gz GSJKKIPFHMDHPO-RBSFLKMASA-N 0 3 302.422 2.168 20 30 DEEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000651724895 425144882 /nfs/dbraw/zinc/14/48/82/425144882.db2.gz LEOJAEAETCLEMN-KFWWJZLASA-N 0 3 302.422 2.250 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000660699877 425210364 /nfs/dbraw/zinc/21/03/64/425210364.db2.gz JOTPMYCYOMWOHT-MRXNPFEDSA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660990829 425293207 /nfs/dbraw/zinc/29/32/07/425293207.db2.gz IEIOFHJMZUPYKV-GOEBONIOSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N(C)CCN1CCCCC1 ZINC000652562993 425294769 /nfs/dbraw/zinc/29/47/69/425294769.db2.gz XOOQAFFPHARITM-UHFFFAOYSA-N 0 3 303.454 2.339 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc(C)c2OC)CC1 ZINC000654431395 425352184 /nfs/dbraw/zinc/35/21/84/425352184.db2.gz JFMQVCREGZYYJD-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN CCOC[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528383743 267142132 /nfs/dbraw/zinc/14/21/32/267142132.db2.gz UAIYHUHHXHKOCE-DOTOQJQBSA-N 0 3 318.417 2.046 20 30 DEEDHN C=CCOc1ccc(CNC[C@@H](OC)[C@H]2CCOC2)cc1OC ZINC000657544999 425361406 /nfs/dbraw/zinc/36/14/06/425361406.db2.gz RMYQCVSFJIBYCB-MAUKXSAKSA-N 0 3 321.417 2.401 20 30 DEEDHN C=CCc1cc(CNC[C@H](OC)[C@@H]2CCOC2)cc(OC)c1O ZINC000657540967 425360474 /nfs/dbraw/zinc/36/04/74/425360474.db2.gz IQPMTXHSRQNAEP-WBVHZDCISA-N 0 3 321.417 2.270 20 30 DEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000661379926 425395084 /nfs/dbraw/zinc/39/50/84/425395084.db2.gz JJWYQDNVXHSESL-ZIAGYGMSSA-N 0 3 315.417 2.401 20 30 DEEDHN C=CCC1(NCc2ccc(S(C)(=O)=O)s2)CCOCC1 ZINC000657634484 425379754 /nfs/dbraw/zinc/37/97/54/425379754.db2.gz KMCGSLJXAPRKIS-UHFFFAOYSA-N 0 3 315.460 2.367 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CNC)c2)C1 ZINC000659094365 425527403 /nfs/dbraw/zinc/52/74/03/425527403.db2.gz KCMDOWYEYZQFIC-CQSZACIVSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCC1(NC(=O)C(=O)Nc2cccc(CNC)c2)CCCC1 ZINC000659103471 425528388 /nfs/dbraw/zinc/52/83/88/425528388.db2.gz QYQRVBICXHODGX-UHFFFAOYSA-N 0 3 315.417 2.350 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CCN(C)C ZINC000665392979 425561918 /nfs/dbraw/zinc/56/19/18/425561918.db2.gz KOMUOEBNVQSAQC-IRXDYDNUSA-N 0 3 324.513 2.256 20 30 DEEDHN C=CCCCCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000655825589 425665718 /nfs/dbraw/zinc/66/57/18/425665718.db2.gz ITANYPBRBONNMX-UHFFFAOYSA-N 0 3 300.399 2.309 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655913104 425683798 /nfs/dbraw/zinc/68/37/98/425683798.db2.gz RTMXDZAZHWLFSW-JTQLQIEISA-N 0 3 307.341 2.335 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662631691 425698889 /nfs/dbraw/zinc/69/88/89/425698889.db2.gz XTBDEZFOFLIDQY-ZXFNITATSA-N 0 3 306.450 2.334 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COC1CCOCC1 ZINC000425534579 269119667 /nfs/dbraw/zinc/11/96/67/269119667.db2.gz MFVFMCGNSHVCIQ-PBHICJAKSA-N 0 3 318.417 2.108 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000514837099 269333002 /nfs/dbraw/zinc/33/30/02/269333002.db2.gz ROIUQEIRTSGHTE-BZUAXINKSA-N 0 3 313.401 2.067 20 30 DEEDHN N#Cc1cnn2cc(CNC[C@H]3CCOc4ccccc43)cnc12 ZINC000515649919 269353143 /nfs/dbraw/zinc/35/31/43/269353143.db2.gz QFSOUUUIVVDKCJ-CQSZACIVSA-N 0 3 319.368 2.257 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCO[C@@H]21 ZINC000516246367 269360612 /nfs/dbraw/zinc/36/06/12/269360612.db2.gz WYTKNZVZXSHYAO-OIISXLGYSA-N 0 3 313.401 2.290 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@H]1C ZINC001088920360 782046950 /nfs/dbraw/zinc/04/69/50/782046950.db2.gz ZSJUTSVJACGBHA-CJNGLKHVSA-N 0 3 310.401 2.087 20 30 DEEDHN CS[C@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1N(C)C ZINC000271682516 274187247 /nfs/dbraw/zinc/18/72/47/274187247.db2.gz ZMVYJNIXWXFCCW-HOTGVXAUSA-N 0 3 316.474 2.314 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCC#Cc2ccc(F)cc2)C1(C)C ZINC000190001365 276366685 /nfs/dbraw/zinc/36/66/85/276366685.db2.gz ZWEGIQVACOFSST-FUHWJXTLSA-N 0 3 305.393 2.333 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000352454202 276885640 /nfs/dbraw/zinc/88/56/40/276885640.db2.gz SSQUZLFKWOWIRF-QLFBSQMISA-N 0 3 312.479 2.006 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)CC1 ZINC000332272113 276895168 /nfs/dbraw/zinc/89/51/68/276895168.db2.gz CJLPGTXDRGQMFU-HUUCEWRRSA-N 0 3 322.453 2.420 20 30 DEEDHN COC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000181561901 277570542 /nfs/dbraw/zinc/57/05/42/277570542.db2.gz ZRUDTJRKSBYVLH-IINYFYTJSA-N 0 3 305.378 2.110 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000278310084 277807076 /nfs/dbraw/zinc/80/70/76/277807076.db2.gz SJVNOIQXIPHISC-IXDOHACOSA-N 0 3 302.418 2.387 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000124758730 277869499 /nfs/dbraw/zinc/86/94/99/277869499.db2.gz LBARNDOQQNYIAP-SWLSCSKDSA-N 0 3 319.405 2.136 20 30 DEEDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000193920248 278185192 /nfs/dbraw/zinc/18/51/92/278185192.db2.gz ZIQYWJHCJJALKY-ZIAGYGMSSA-N 0 3 301.390 2.250 20 30 DEEDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000186775614 278255499 /nfs/dbraw/zinc/25/54/99/278255499.db2.gz GANPGUYCWULMON-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000328624615 279025980 /nfs/dbraw/zinc/02/59/80/279025980.db2.gz ZQOUKVOMCVBASS-UBHSHLNASA-N 0 3 309.410 2.094 20 30 DEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=CCCCC1 ZINC000330845761 289018346 /nfs/dbraw/zinc/01/83/46/289018346.db2.gz CAKOSDAHZNQKPV-OAHLLOKOSA-N 0 3 307.438 2.386 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)NCC3CCC(C#N)CC3)[C@H]2C1 ZINC000367018268 290230093 /nfs/dbraw/zinc/23/00/93/290230093.db2.gz WNGASFDABQUTBX-CKUJCDMFSA-N 0 3 304.438 2.052 20 30 DEEDHN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)C12CCCN1CCC2 ZINC000329546244 295378053 /nfs/dbraw/zinc/37/80/53/295378053.db2.gz AUGWEMOBQRQXMX-LSDHHAIUSA-N 0 3 322.449 2.139 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001423681212 1173487060 /nfs/dbraw/zinc/48/70/60/1173487060.db2.gz JXXUQQSRMXEWRM-YPMHNXCESA-N 0 3 305.344 2.317 20 30 DEEDHN CC(C)OCCN1CC(C)(C)CC[C@H]1CNC(=O)C#CC1CC1 ZINC001099069902 782085696 /nfs/dbraw/zinc/08/56/96/782085696.db2.gz OMQFGHRFZCTGFH-KRWDZBQOSA-N 0 3 320.477 2.432 20 30 DEEDHN N#Cc1c(-n2cccn2)cccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000574926349 326202453 /nfs/dbraw/zinc/20/24/53/326202453.db2.gz AFFOANBTNYFFMB-OAHLLOKOSA-N 0 3 305.385 2.194 20 30 DEEDHN N#Cc1ccc(=O)n(C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000575236669 326231434 /nfs/dbraw/zinc/23/14/34/326231434.db2.gz LBVKYQRGVFCIHU-GOSISDBHSA-N 0 3 323.396 2.011 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc3c(c2)COC3)cc1 ZINC000580065248 332924290 /nfs/dbraw/zinc/92/42/90/332924290.db2.gz PPUPZHGDKUSZPZ-GOSISDBHSA-N 0 3 324.380 2.118 20 30 DEEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](C)C#N)N(C)C ZINC000557737847 331812855 /nfs/dbraw/zinc/81/28/55/331812855.db2.gz ZNHVUTZABGSWHQ-INWMFGNUSA-N 0 3 302.422 2.445 20 30 DEEDHN CCN(C)C[C@@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000584302121 332230533 /nfs/dbraw/zinc/23/05/33/332230533.db2.gz SKGHGKAYOGHYKV-SNVBAGLBSA-N 0 3 319.352 2.377 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000181160706 333029023 /nfs/dbraw/zinc/02/90/23/333029023.db2.gz BALBZPQDORXTTC-AWEZNQCLSA-N 0 3 309.454 2.282 20 30 DEEDHN CN(C(=O)OC(C)(C)C)C1CCN(CCOCCC#N)CC1 ZINC000497224197 333224828 /nfs/dbraw/zinc/22/48/28/333224828.db2.gz BKTKJXHIIOTKSO-UHFFFAOYSA-N 0 3 311.426 2.248 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000111862485 334359970 /nfs/dbraw/zinc/35/99/70/334359970.db2.gz OULDNAQNQJMGJL-HNNXBMFYSA-N 0 3 317.433 2.392 20 30 DEEDHN C=CCOCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000354792785 336482581 /nfs/dbraw/zinc/48/25/81/336482581.db2.gz VIADBQIQDBIBRG-UHFFFAOYSA-N 0 3 320.458 2.419 20 30 DEEDHN N#Cc1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000393835724 337094065 /nfs/dbraw/zinc/09/40/65/337094065.db2.gz PWSGOFJJROGDJK-IRXDYDNUSA-N 0 3 319.412 2.307 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000582727429 337126112 /nfs/dbraw/zinc/12/61/12/337126112.db2.gz KWKUIWUHXJAKAW-DZGCQCFKSA-N 0 3 321.446 2.277 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000583031901 337231279 /nfs/dbraw/zinc/23/12/79/337231279.db2.gz BBFIGLZCAQTEFJ-LIRRHRJNSA-N 0 3 320.396 2.433 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncncc1C#N ZINC000398174771 337308047 /nfs/dbraw/zinc/30/80/47/337308047.db2.gz VOBZLEFJGLHFRD-WMLDXEAASA-N 0 3 307.401 2.093 20 30 DEEDHN Cn1cncc1CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000584418468 337322778 /nfs/dbraw/zinc/32/27/78/337322778.db2.gz BRLOYCHTSXJPOP-UHFFFAOYSA-N 0 3 309.417 2.305 20 30 DEEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCOCCC#N)C1 ZINC000496399802 340004686 /nfs/dbraw/zinc/00/46/86/340004686.db2.gz CWSVBKWDNSDILG-KBPBESRZSA-N 0 3 311.426 2.152 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496526572 340007183 /nfs/dbraw/zinc/00/71/83/340007183.db2.gz CZVPKFYQMLRCFY-OLZOCXBDSA-N 0 3 303.362 2.222 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496759075 340012271 /nfs/dbraw/zinc/01/22/71/340012271.db2.gz ZCFMFOXLKQQOQY-ZOBORPQBSA-N 0 3 321.421 2.298 20 30 DEEDHN CC(C#N)C(=O)N1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496889584 340015496 /nfs/dbraw/zinc/01/54/96/340015496.db2.gz DZJZSUUBBOZSTF-HWWQOWPSSA-N 0 3 309.410 2.155 20 30 DEEDHN CC[C@@H](NCC(=O)NCC#N)c1ccc(Br)cc1 ZINC000507221191 340214293 /nfs/dbraw/zinc/21/42/93/340214293.db2.gz GQFCHFBMHGQCKE-GFCCVEGCSA-N 0 3 310.195 2.130 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000189760563 340540005 /nfs/dbraw/zinc/54/00/05/340540005.db2.gz LWCPBTJRNHIBDV-LBPRGKRZSA-N 0 3 305.809 2.257 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000564217839 340884129 /nfs/dbraw/zinc/88/41/29/340884129.db2.gz WMBYHHMZFJMELL-PBHICJAKSA-N 0 3 324.852 2.429 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000132413269 341122490 /nfs/dbraw/zinc/12/24/90/341122490.db2.gz GODBNELGGMQKDK-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CC[C@H](CC)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000545986973 341149808 /nfs/dbraw/zinc/14/98/08/341149808.db2.gz SZSOPXCTUGXCLZ-WMZOPIPTSA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C#N)cc2OC)CC1 ZINC000545999673 341150337 /nfs/dbraw/zinc/15/03/37/341150337.db2.gz SMELGAJTBPJLAH-UHFFFAOYSA-N 0 3 314.389 2.339 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000546680481 341178606 /nfs/dbraw/zinc/17/86/06/341178606.db2.gz XCEDRXQCMWYSOR-CVEARBPZSA-N 0 3 322.449 2.123 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000549750370 341302029 /nfs/dbraw/zinc/30/20/29/341302029.db2.gz BAEHMDBWPMXRRZ-ZYHUDNBSSA-N 0 3 303.328 2.069 20 30 DEEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000249309149 341396312 /nfs/dbraw/zinc/39/63/12/341396312.db2.gz HQFGEQOXWHXZGE-HUUCEWRRSA-N 0 3 310.438 2.075 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(OC3CCOCC3)c2)C1 ZINC000569303845 341697214 /nfs/dbraw/zinc/69/72/14/341697214.db2.gz AIOQSZCPAFZACM-UKRRQHHQSA-N 0 3 301.390 2.421 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000580655029 341893018 /nfs/dbraw/zinc/89/30/18/341893018.db2.gz AOSAEPMEGVBCIY-CJNGLKHVSA-N 0 3 321.380 2.242 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2OCc3ccccc32)[C@H]1C ZINC001089011393 782115748 /nfs/dbraw/zinc/11/57/48/782115748.db2.gz YNFUIKFPVZHUGJ-COXVUDFISA-N 0 3 300.402 2.413 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001357011366 1152212030 /nfs/dbraw/zinc/21/20/30/1152212030.db2.gz JUBXWTCUUBIFCB-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)NCC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001357066405 1152231111 /nfs/dbraw/zinc/23/11/11/1152231111.db2.gz AGPAIYMZCJIJGB-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1cc(CN[C@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)no1 ZINC001378373405 1152308473 /nfs/dbraw/zinc/30/84/73/1152308473.db2.gz QXHWFCXTMZMATQ-SWLSCSKDSA-N 0 3 306.410 2.105 20 30 DEEDHN CC(C)N(CCN(C)Cc1ccc(CO)cc1)C(=O)[C@H](C)C#N ZINC001369517360 1149012110 /nfs/dbraw/zinc/01/21/10/1149012110.db2.gz VJQZAUYZEPRVHF-OAHLLOKOSA-N 0 3 317.433 2.007 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)Cn1nc(C)cc1C ZINC001329923768 1149016908 /nfs/dbraw/zinc/01/69/08/1149016908.db2.gz ORCLNTPYOVSKDT-MRXNPFEDSA-N 0 3 304.438 2.047 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C1CN(Cc2ccccc2CC)C1 ZINC001329974069 1149026208 /nfs/dbraw/zinc/02/62/08/1149026208.db2.gz XXMDBWYQTJJWGD-OAHLLOKOSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CCCC(=O)N1CC[C@@]2(C1)CN(CC1CCCC1)CCO2 ZINC001330146784 1149053513 /nfs/dbraw/zinc/05/35/13/1149053513.db2.gz ATMIVAGSLIRHDX-SFHVURJKSA-N 0 3 306.450 2.446 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(C[C@H]2CCCCO2)CC1(C)C ZINC001330188973 1149065191 /nfs/dbraw/zinc/06/51/91/1149065191.db2.gz BBJHWVXRRLQYLG-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCc2nc(C)no2)C(C)(C)C1 ZINC001330245489 1149078697 /nfs/dbraw/zinc/07/86/97/1149078697.db2.gz UEFJWBVTWUYDFU-CQSZACIVSA-N 0 3 320.437 2.103 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cc[nH]c1 ZINC001378779400 1152444285 /nfs/dbraw/zinc/44/42/85/1152444285.db2.gz SZUHARHLAFVAMF-NSHDSACASA-N 0 3 302.403 2.198 20 30 DEEDHN COc1cc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1C#N ZINC000442849418 533804551 /nfs/dbraw/zinc/80/45/51/533804551.db2.gz GYDNYAJVBTWDEZ-OAHLLOKOSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)ccc1C#N ZINC000442849418 533804556 /nfs/dbraw/zinc/80/45/56/533804556.db2.gz GYDNYAJVBTWDEZ-OAHLLOKOSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1C#N ZINC000442849418 533804563 /nfs/dbraw/zinc/80/45/63/533804563.db2.gz GYDNYAJVBTWDEZ-OAHLLOKOSA-N 0 3 311.389 2.373 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cncnc1C)C1CC1 ZINC001400987513 1161856242 /nfs/dbraw/zinc/85/62/42/1161856242.db2.gz DGQQNPNDCMPOKY-OAHLLOKOSA-N 0 3 308.813 2.026 20 30 DEEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(C(C)(C)C)on1 ZINC000331014071 533903959 /nfs/dbraw/zinc/90/39/59/533903959.db2.gz TYIXWXNUEWTAGN-CYBMUJFWSA-N 0 3 322.453 2.303 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)nnc1C)C(C)C ZINC001401325584 1161931862 /nfs/dbraw/zinc/93/18/62/1161931862.db2.gz MICBAOZRCDUDKF-AWEZNQCLSA-N 0 3 310.829 2.190 20 30 DEEDHN Cc1c([C@H](C)NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cnn1C ZINC000331327867 533950942 /nfs/dbraw/zinc/95/09/42/533950942.db2.gz PQLJHAHCZYOPDW-WFASDCNBSA-N 0 3 321.469 2.414 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)OCC(C)C)C1 ZINC001378821343 1152457767 /nfs/dbraw/zinc/45/77/67/1152457767.db2.gz ZKNOGSUOLJBAKY-IHRRRGAJSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccc(OC)cc2)C1 ZINC001368822763 1148691027 /nfs/dbraw/zinc/69/10/27/1148691027.db2.gz OAGOUHOGLJEIGU-UHFFFAOYSA-N 0 3 322.836 2.475 20 30 DEEDHN C[C@]1(NCC(=O)N(CCC#N)CCC#N)CCCc2ccccc21 ZINC000341709464 534178157 /nfs/dbraw/zinc/17/81/57/534178157.db2.gz VGXGKVWBFNXNAT-IBGZPJMESA-N 0 3 324.428 2.484 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000452371615 534326672 /nfs/dbraw/zinc/32/66/72/534326672.db2.gz UDFXOALOEKYYBG-ROUUACIJSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001401791290 1162132958 /nfs/dbraw/zinc/13/29/58/1162132958.db2.gz FFILGOWRBZYTDF-GJZGRUSLSA-N 0 3 315.889 2.438 20 30 DEEDHN Cc1nsc(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000297412611 534515127 /nfs/dbraw/zinc/51/51/27/534515127.db2.gz LNQHSJHMIXLFNG-PWSUYJOCSA-N 0 3 319.434 2.414 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001358794668 1152485440 /nfs/dbraw/zinc/48/54/40/1152485440.db2.gz KOBNRZZULSASES-QZTJIDSGSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450640493 534581340 /nfs/dbraw/zinc/58/13/40/534581340.db2.gz YDHHWPSOGNGBBU-BGTYHANMSA-N 0 3 314.429 2.214 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000451604465 534610288 /nfs/dbraw/zinc/61/02/88/534610288.db2.gz HBARKQQVOHQGQZ-KFWWJZLASA-N 0 3 306.793 2.378 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(C(=O)CN(CC)CC)C1 ZINC001358804072 1152489514 /nfs/dbraw/zinc/48/95/14/1152489514.db2.gz MSJSKSODNFECRI-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000489580024 534744913 /nfs/dbraw/zinc/74/49/13/534744913.db2.gz CUNWFEJBCGJVDM-ZNMIVQPWSA-N 0 3 302.484 2.238 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000193354869 534781578 /nfs/dbraw/zinc/78/15/78/534781578.db2.gz NXFDIXXEXXXNGB-BZSNNMDCSA-N 0 3 322.412 2.331 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000449940371 534881579 /nfs/dbraw/zinc/88/15/79/534881579.db2.gz MFFLZUIJLHKNQD-GDBMZVCRSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN(CCCCN1C(=O)c2ccccc2C1=O)CCOC ZINC000191134205 526272296 /nfs/dbraw/zinc/27/22/96/526272296.db2.gz MFFMVKXDCLKLOM-UHFFFAOYSA-N 0 3 316.401 2.197 20 30 DEEDHN C=CCN(CCOC)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000191124330 526301133 /nfs/dbraw/zinc/30/11/33/526301133.db2.gz FHSOCQLZZYKVFW-QGZVFWFLSA-N 0 3 307.434 2.486 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(OC)CCCCC2)CC1 ZINC000188041386 526432897 /nfs/dbraw/zinc/43/28/97/526432897.db2.gz MTUZIVOWIGVECB-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000330633269 526576565 /nfs/dbraw/zinc/57/65/65/526576565.db2.gz JRTYLJVOIZVEDY-HUUCEWRRSA-N 0 3 309.454 2.346 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2c(C)nn(CC)c2C)CC1 ZINC000292831618 526583231 /nfs/dbraw/zinc/58/32/31/526583231.db2.gz PCXJAMPXTKKTHH-UHFFFAOYSA-N 0 3 318.465 2.219 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2OC)CC1 ZINC000341087994 526594706 /nfs/dbraw/zinc/59/47/06/526594706.db2.gz JKIXENYMMQSEFM-HZPDHXFCSA-N 0 3 309.454 2.284 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000364810091 526634905 /nfs/dbraw/zinc/63/49/05/526634905.db2.gz YROQVSHOEIODMV-CJNGLKHVSA-N 0 3 319.792 2.307 20 30 DEEDHN C=C(C)COc1cc(CN2CC[C@@H](CC(N)=O)C2)ccc1OC ZINC000368136199 526659691 /nfs/dbraw/zinc/65/96/91/526659691.db2.gz TXTJIGFANUQJGN-HNNXBMFYSA-N 0 3 318.417 2.347 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000356576970 526705921 /nfs/dbraw/zinc/70/59/21/526705921.db2.gz JTFNNMUKNLUDPC-KRWDZBQOSA-N 0 3 309.498 2.465 20 30 DEEDHN C=CCOCCN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000339026692 526771225 /nfs/dbraw/zinc/77/12/25/526771225.db2.gz GNRPORKBQHOWNK-UHFFFAOYSA-N 0 3 303.406 2.243 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000292701274 526773382 /nfs/dbraw/zinc/77/33/82/526773382.db2.gz DGHUUBKYGYCILB-OAHLLOKOSA-N 0 3 307.369 2.224 20 30 DEEDHN C#CCN(C)CCCNc1ncnc2c(F)c(OC)ccc12 ZINC000292800716 526828703 /nfs/dbraw/zinc/82/87/03/526828703.db2.gz NGPLWUPPCHRQTL-UHFFFAOYSA-N 0 3 302.353 2.145 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@H]2CCCN2CC)cc1 ZINC000294515999 526858440 /nfs/dbraw/zinc/85/84/40/526858440.db2.gz SWBTUMYTDASYNZ-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCOc1cccc(CN[C@H]2CC(=O)N3CCCC[C@H]23)c1 ZINC000374581219 526904851 /nfs/dbraw/zinc/90/48/51/526904851.db2.gz ZNHHMTCIOABQBT-DLBZAZTESA-N 0 3 300.402 2.494 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(OC)c2)CC1 ZINC000299171942 526928897 /nfs/dbraw/zinc/92/88/97/526928897.db2.gz XVSLWJFCDRLZCN-AWEZNQCLSA-N 0 3 300.402 2.218 20 30 DEEDHN C=CCSc1ccccc1NC(=O)CN1CCN[C@H](C)C1 ZINC000420343400 527013620 /nfs/dbraw/zinc/01/36/20/527013620.db2.gz YWCOZVWWVHHCKB-CYBMUJFWSA-N 0 3 305.447 2.197 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(Cc2cccc(OC)c2)CC1 ZINC000368176817 527025056 /nfs/dbraw/zinc/02/50/56/527025056.db2.gz ZSIYSKVTMRMKEQ-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CCC1(C(=O)NCc2ccncc2OCCN(C)C)CCC1 ZINC000345294563 527056684 /nfs/dbraw/zinc/05/66/84/527056684.db2.gz HBTQLTQIDNHUDS-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN C=CC[C@@H](CO)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000341802883 527063824 /nfs/dbraw/zinc/06/38/24/527063824.db2.gz SJWJTSFLQTYTRJ-WBVHZDCISA-N 0 3 319.449 2.082 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cnc2ccc(Br)cn12 ZINC000341289339 527079661 /nfs/dbraw/zinc/07/96/61/527079661.db2.gz GVGHSJAWTQYBMZ-LLVKDONJSA-N 0 3 324.222 2.371 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000294585277 527081580 /nfs/dbraw/zinc/08/15/80/527081580.db2.gz YEYPODXJRWCWGL-RHSMWYFYSA-N 0 3 302.418 2.006 20 30 DEEDHN CC(C)(CNC(=O)NCCCC#N)N1CCc2ccccc2C1 ZINC000273255261 527129043 /nfs/dbraw/zinc/12/90/43/527129043.db2.gz YTNZLKPSCCISRQ-UHFFFAOYSA-N 0 3 314.433 2.426 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCCO ZINC000340665794 527319129 /nfs/dbraw/zinc/31/91/29/527319129.db2.gz PCWLYJOMXCCKDZ-UHFFFAOYSA-N 0 3 324.494 2.357 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429225482 527637425 /nfs/dbraw/zinc/63/74/25/527637425.db2.gz FTJZDQPSHIMARY-ZFWWWQNUSA-N 0 3 300.402 2.038 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnccc1N)C(C)C ZINC000188082698 527649886 /nfs/dbraw/zinc/64/98/86/527649886.db2.gz WOKKIOOOCNVTDN-MRXNPFEDSA-N 0 3 302.422 2.092 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nn(C)cc1C)C(C)C ZINC000411369148 527650104 /nfs/dbraw/zinc/65/01/04/527650104.db2.gz PKWBITWJAHMYEP-OAHLLOKOSA-N 0 3 304.438 2.157 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000330970829 527838726 /nfs/dbraw/zinc/83/87/26/527838726.db2.gz BKACJWCBKYDUNL-DLBZAZTESA-N 0 3 311.385 2.124 20 30 DEEDHN CC(C)c1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)no1 ZINC000330415013 528006587 /nfs/dbraw/zinc/00/65/87/528006587.db2.gz NKKZAVLRWSWLPX-UHFFFAOYSA-N 0 3 308.426 2.129 20 30 DEEDHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000331007853 528826980 /nfs/dbraw/zinc/82/69/80/528826980.db2.gz QLCIOBMAYMZFED-OFQRWUPVSA-N 0 3 317.433 2.378 20 30 DEEDHN CCN1CCC(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000330937292 528973812 /nfs/dbraw/zinc/97/38/12/528973812.db2.gz UHWYBXRAOOLKGH-NSHDSACASA-N 0 3 323.441 2.416 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000331876330 529007285 /nfs/dbraw/zinc/00/72/85/529007285.db2.gz BUZZVKQLTWFVDN-UHFFFAOYSA-N 0 3 314.433 2.226 20 30 DEEDHN CC(C)N1C[C@@H](NCc2ccc(N(C)CCC#N)cc2)CC1=O ZINC000265715426 529095642 /nfs/dbraw/zinc/09/56/42/529095642.db2.gz YDSIUCNPNWVDPU-INIZCTEOSA-N 0 3 314.433 2.135 20 30 DEEDHN CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(C#N)cc1 ZINC000348888486 535860615 /nfs/dbraw/zinc/86/06/15/535860615.db2.gz ACWGZEJPPDPOEB-UHFFFAOYSA-N 0 3 321.428 2.332 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](C)(CNC(=O)CN(CC)CC)C1 ZINC001358850176 1152503968 /nfs/dbraw/zinc/50/39/68/1152503968.db2.gz CZPDGXJOYKKUGN-SFHVURJKSA-N 0 3 323.481 2.039 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000835064526 649874429 /nfs/dbraw/zinc/87/44/29/649874429.db2.gz FYIDYRSDEYLARB-RISCZKNCSA-N 0 3 304.346 2.158 20 30 DEEDHN Cc1ccc(F)c(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000835070998 649874989 /nfs/dbraw/zinc/87/49/89/649874989.db2.gz MILSUZLPLITDBQ-CQSZACIVSA-N 0 3 302.349 2.444 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001368764085 1148643998 /nfs/dbraw/zinc/64/39/98/1148643998.db2.gz UHMTZTCQDTXEDK-IYOUNJFTSA-N 0 3 311.429 2.414 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1NCC#Cc1ccccc1 ZINC001327830634 1148652734 /nfs/dbraw/zinc/65/27/34/1148652734.db2.gz TZRCBMJBQFAFMO-QAPCUYQASA-N 0 3 307.397 2.117 20 30 DEEDHN C=CC[NH+]1CCC(Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819750275 599540792 /nfs/dbraw/zinc/54/07/92/599540792.db2.gz CADSRWITGWQVSN-UHFFFAOYSA-N 0 3 302.357 2.068 20 30 DEEDHN C=CC[NH+]1CCC(Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819750275 599540795 /nfs/dbraw/zinc/54/07/95/599540795.db2.gz CADSRWITGWQVSN-UHFFFAOYSA-N 0 3 302.357 2.068 20 30 DEEDHN CN1CCC[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941419 604496472 /nfs/dbraw/zinc/49/64/72/604496472.db2.gz ZGNACGSUKRSUED-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941419 604496474 /nfs/dbraw/zinc/49/64/74/604496474.db2.gz ZGNACGSUKRSUED-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941419 604496476 /nfs/dbraw/zinc/49/64/76/604496476.db2.gz ZGNACGSUKRSUED-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@H+]1CCC[C@@H]2CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC[C@@H]21 ZINC000830941419 604496478 /nfs/dbraw/zinc/49/64/78/604496478.db2.gz ZGNACGSUKRSUED-IKGGRYGDSA-N 0 3 313.401 2.100 20 30 DEEDHN CCc1nocc1CNC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001382516476 1153460253 /nfs/dbraw/zinc/46/02/53/1153460253.db2.gz BWHJRAZWHUDYBT-RISCZKNCSA-N 0 3 306.410 2.017 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(C)O ZINC001025227834 625286884 /nfs/dbraw/zinc/28/68/84/625286884.db2.gz SLKOHPHMHPGZLM-JKSUJKDBSA-N 0 3 306.450 2.016 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)nn1 ZINC001025229072 625288809 /nfs/dbraw/zinc/28/88/09/625288809.db2.gz GBZLOERJRCSPNM-SJORKVTESA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1[nH]c(C)nc1C ZINC001025272457 625318404 /nfs/dbraw/zinc/31/84/04/625318404.db2.gz LYAVBVIDVBAWRV-HOTGVXAUSA-N 0 3 314.433 2.119 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CCOCC1 ZINC001025276242 625321225 /nfs/dbraw/zinc/32/12/25/625321225.db2.gz HNVMFTXOWRQMAE-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccnc(C)n1 ZINC001025302970 625330052 /nfs/dbraw/zinc/33/00/52/625330052.db2.gz ZPEUJQUUUWXSRI-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001023621285 625355311 /nfs/dbraw/zinc/35/53/11/625355311.db2.gz JUVJGPUPSXIUSK-KRWDZBQOSA-N 0 3 323.440 2.138 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2nc(C3CC3)oc2C)C1 ZINC001023676476 625383293 /nfs/dbraw/zinc/38/32/93/625383293.db2.gz JPZRAMCTDKWRPJ-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3cccnc3s2)C1 ZINC001023685313 625387377 /nfs/dbraw/zinc/38/73/77/625387377.db2.gz GMLFVOXFXFLGQZ-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2csc(Cl)n2)C1 ZINC001023687886 625388127 /nfs/dbraw/zinc/38/81/27/625388127.db2.gz OTFNZLIMHOBQAG-LLVKDONJSA-N 0 3 311.838 2.262 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2nn(C)c3ccccc32)C1 ZINC001023709333 625396015 /nfs/dbraw/zinc/39/60/15/625396015.db2.gz RUHMBSRYTWMAQV-AWEZNQCLSA-N 0 3 312.417 2.201 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(CC)n2)C1 ZINC001025398713 625403460 /nfs/dbraw/zinc/40/34/60/625403460.db2.gz VOQZNIJHFKBJCP-KGLIPLIRSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC000972661230 625415705 /nfs/dbraw/zinc/41/57/05/625415705.db2.gz GTQMELYXZYEJNS-CABCVRRESA-N 0 3 312.417 2.316 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(OC)ns2)C1 ZINC001025423377 625421813 /nfs/dbraw/zinc/42/18/13/625421813.db2.gz RPFWHZSLZUBIRO-STQMWFEESA-N 0 3 321.446 2.005 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCCN(C(=O)C(F)F)C1 ZINC001023790559 625442100 /nfs/dbraw/zinc/44/21/00/625442100.db2.gz GTFNERLYQVTWHB-GFCCVEGCSA-N 0 3 307.344 2.152 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001025448015 625443711 /nfs/dbraw/zinc/44/37/11/625443711.db2.gz MVPKEOCOROZDBA-HIFRSBDPSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ncc(F)cc2F)C1 ZINC001025455798 625448377 /nfs/dbraw/zinc/44/83/77/625448377.db2.gz LWNNXVMSTSKTAY-CHWSQXEVSA-N 0 3 321.371 2.213 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001025461901 625456093 /nfs/dbraw/zinc/45/60/93/625456093.db2.gz XWTVPTKQYAQTPI-GJZGRUSLSA-N 0 3 316.449 2.102 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(COC)c2)C1 ZINC001025474166 625466066 /nfs/dbraw/zinc/46/60/66/625466066.db2.gz IXHGXMMJMBDDMY-YJBOKZPZSA-N 0 3 314.429 2.297 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](CNCc2c(F)cccc2F)C1 ZINC001023893536 625471926 /nfs/dbraw/zinc/47/19/26/625471926.db2.gz QZYMEYDOANWRNI-QWHCGFSZSA-N 0 3 321.371 2.453 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2nccc3occc32)C1 ZINC001025489975 625482183 /nfs/dbraw/zinc/48/21/83/625482183.db2.gz RFHMHQQATXWSEP-UONOGXRCSA-N 0 3 311.385 2.291 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cccc(COC)c2)C1 ZINC000972706717 625485234 /nfs/dbraw/zinc/48/52/34/625485234.db2.gz FBBGPOVDQVYURJ-KRWDZBQOSA-N 0 3 302.418 2.094 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3c[nH]nc32)C1 ZINC001025503858 625488487 /nfs/dbraw/zinc/48/84/87/625488487.db2.gz VSZKIWDOKAKDGU-HOCLYGCPSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2csc(C)n2)C1 ZINC001025512602 625492708 /nfs/dbraw/zinc/49/27/08/625492708.db2.gz LXXBQTIBUDKGOV-OCCSQVGLSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(OC)cs2)C1 ZINC001025507080 625493721 /nfs/dbraw/zinc/49/37/21/625493721.db2.gz RSTUOPHLESLOSZ-CHWSQXEVSA-N 0 3 306.431 2.220 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001025517213 625496121 /nfs/dbraw/zinc/49/61/21/625496121.db2.gz XOFGCJRLSYFFTG-UKRRQHHQSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2scnc2C2CC2)C1 ZINC001025555402 625543198 /nfs/dbraw/zinc/54/31/98/625543198.db2.gz MRCFGMUWIKHDJE-TZMCWYRMSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]([C@H](C)CC)C(F)(F)F ZINC000931096115 625538289 /nfs/dbraw/zinc/53/82/89/625538289.db2.gz GYKIZLUAVORPGT-NEPJUHHUSA-N 0 3 307.360 2.218 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccn3ccnc23)C1 ZINC001025556705 625546692 /nfs/dbraw/zinc/54/66/92/625546692.db2.gz XXDXWFNKCUNYBA-JKSUJKDBSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccn3ccnc23)C1 ZINC001025556704 625547130 /nfs/dbraw/zinc/54/71/30/625547130.db2.gz XXDXWFNKCUNYBA-HZPDHXFCSA-N 0 3 324.428 2.188 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2C)c1cccc(C#N)c1 ZINC000893347094 625578751 /nfs/dbraw/zinc/57/87/51/625578751.db2.gz YWIBOJMBZAUNIZ-RRQGHBQHSA-N 0 3 312.417 2.497 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC000969154055 622592984 /nfs/dbraw/zinc/59/29/84/622592984.db2.gz WDSOZYNYJACMEL-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(C(F)F)c2)C1 ZINC001025578672 625582270 /nfs/dbraw/zinc/58/22/70/625582270.db2.gz JKJAJNUKQBUUOC-CHWSQXEVSA-N 0 3 324.375 2.132 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001020481965 622713959 /nfs/dbraw/zinc/71/39/59/622713959.db2.gz YFNONQVMWASEKG-YRGRVCCFSA-N 0 3 313.239 2.488 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C[C@@H]2C[C@H]2C)C1 ZINC001020548141 622792819 /nfs/dbraw/zinc/79/28/19/622792819.db2.gz FDYKUPGALLGGEO-SASUGWTJSA-N 0 3 301.228 2.178 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H](NCc3cc(C)ncn3)C2)CC1 ZINC001020550049 622801536 /nfs/dbraw/zinc/80/15/36/622801536.db2.gz FHAXICGKOJCBBJ-WKILWMFISA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(C)CN1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025584492 625596154 /nfs/dbraw/zinc/59/61/54/625596154.db2.gz HYWGRQBWTFESTF-HUUCEWRRSA-N 0 3 317.433 2.090 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC000969570172 622825093 /nfs/dbraw/zinc/82/50/93/622825093.db2.gz 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625172475 /nfs/dbraw/zinc/17/24/75/625172475.db2.gz DNEPWCGZIPWKFB-BETUJISGSA-N 0 3 307.825 2.356 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1ccnn1C ZINC001025070472 625193457 /nfs/dbraw/zinc/19/34/57/625193457.db2.gz ZONSGHMFZOAVEZ-AEFFLSMTSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCCCC(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000180741113 625222557 /nfs/dbraw/zinc/22/25/57/625222557.db2.gz USTJPINJORFTCI-MRXNPFEDSA-N 0 3 312.369 2.214 20 30 DEEDHN CC[C@@H](F)CN1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318320 625226051 /nfs/dbraw/zinc/22/60/51/625226051.db2.gz GBAYYLAFTHTXJK-CHWSQXEVSA-N 0 3 306.385 2.076 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001023364300 625239308 /nfs/dbraw/zinc/23/93/08/625239308.db2.gz IUVJQPHMTKXWOK-ZDUSSCGKSA-N 0 3 317.458 2.404 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cncc3ccccc32)C1 ZINC001027692471 634446922 /nfs/dbraw/zinc/44/69/22/634446922.db2.gz KGFHYICHRZWZQA-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(F)(F)F ZINC001025207000 625269248 /nfs/dbraw/zinc/26/92/48/625269248.db2.gz BJNYWNFEIGTXID-STQMWFEESA-N 0 3 302.340 2.418 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC000972567782 625272694 /nfs/dbraw/zinc/27/26/94/625272694.db2.gz KNGHHLQXSBRLGK-WBVHZDCISA-N 0 3 300.402 2.099 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000892464495 625745681 /nfs/dbraw/zinc/74/56/81/625745681.db2.gz DUXNFNKHOANYIT-KGLIPLIRSA-N 0 3 306.406 2.493 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001024459276 625784482 /nfs/dbraw/zinc/78/44/82/625784482.db2.gz QAPHFGVWXDQSOW-ZDUSSCGKSA-N 0 3 322.840 2.164 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ncc(F)cc2F)C1 ZINC000998987809 634458255 /nfs/dbraw/zinc/45/82/55/634458255.db2.gz VMDBMYLJNNNPPZ-UHFFFAOYSA-N 0 3 315.751 2.305 20 30 DEEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc(OCC)no1 ZINC001024558563 625878265 /nfs/dbraw/zinc/87/82/65/625878265.db2.gz LMGOVZHCTXRSPD-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001024578392 625902125 /nfs/dbraw/zinc/90/21/25/625902125.db2.gz SCBHZLFYMNJDSY-OAHLLOKOSA-N 0 3 304.438 2.197 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001024591700 625914167 /nfs/dbraw/zinc/91/41/67/625914167.db2.gz HUWLUFJOXKWKCH-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(C)s3)[C@@H]2C1 ZINC000979032310 634486112 /nfs/dbraw/zinc/48/61/12/634486112.db2.gz FBUSLGHOSKMUAV-QKDCVEJESA-N 0 3 302.443 2.296 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]2C1 ZINC000979476788 634646436 /nfs/dbraw/zinc/64/64/36/634646436.db2.gz DXHGARJFFZBINK-YQVWRLOYSA-N 0 3 314.404 2.414 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001000091277 634738528 /nfs/dbraw/zinc/73/85/28/634738528.db2.gz GQJAOQBCUQMETO-RHSMWYFYSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCCOCC3)CC2)CC1 ZINC001000142978 634764705 /nfs/dbraw/zinc/76/47/05/634764705.db2.gz LDECYUOJRVOPLN-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)Sc1ccccc1 ZINC000836331567 650080411 /nfs/dbraw/zinc/08/04/11/650080411.db2.gz LBMJOVPJALGDRG-HNNXBMFYSA-N 0 3 319.474 2.422 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000836339858 650081156 /nfs/dbraw/zinc/08/11/56/650081156.db2.gz SPVXASNJDGNJNC-HZPDHXFCSA-N 0 3 301.434 2.433 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000836490306 650097877 /nfs/dbraw/zinc/09/78/77/650097877.db2.gz UAJQNRPDMVTGLI-OLZOCXBDSA-N 0 3 319.371 2.314 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001026831070 633152644 /nfs/dbraw/zinc/15/26/44/633152644.db2.gz RBTGXZNJKJOGEJ-WFASDCNBSA-N 0 3 319.355 2.152 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C(C)(C)C1 ZINC000974574022 633153698 /nfs/dbraw/zinc/15/36/98/633153698.db2.gz FZMWAWRZPJBRSY-MRXNPFEDSA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000974628737 633182838 /nfs/dbraw/zinc/18/28/38/633182838.db2.gz FITOSFJKQFWPRL-RDJZCZTQSA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(F)cc2F)C(C)(C)C1 ZINC000974613525 633183047 /nfs/dbraw/zinc/18/30/47/633183047.db2.gz RPDUERHOUNBSDL-INIZCTEOSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C(C)(C)C1 ZINC000974624293 633189087 /nfs/dbraw/zinc/18/90/87/633189087.db2.gz KXOUPRHQFOMLTK-CYBMUJFWSA-N 0 3 324.375 2.050 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCc3nccn32)C(C)(C)C1 ZINC000974670146 633215166 /nfs/dbraw/zinc/21/51/66/633215166.db2.gz GVXZSWXDOSYMKX-GJZGRUSLSA-N 0 3 316.449 2.163 20 30 DEEDHN Cc1nc(CNC2CCN(C(=O)C#CC3CC3)CC2)c(C)s1 ZINC000996393513 633253187 /nfs/dbraw/zinc/25/31/87/633253187.db2.gz BZLNRWXGTHTTIS-UHFFFAOYSA-N 0 3 317.458 2.254 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996561081 633284375 /nfs/dbraw/zinc/28/43/75/633284375.db2.gz GXFBPMPLLVGWOP-INIZCTEOSA-N 0 3 302.393 2.007 20 30 DEEDHN C=C(C)CCN1C[C@H](NC(=O)c2cc(OCC)no2)C(C)(C)C1 ZINC000974829267 633316658 /nfs/dbraw/zinc/31/66/58/633316658.db2.gz UYMKCXILNSQGKH-AWEZNQCLSA-N 0 3 321.421 2.480 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2csnc2OC)C1 ZINC001026992203 633332763 /nfs/dbraw/zinc/33/27/63/633332763.db2.gz JBDAWPIJUBUSIY-GFCCVEGCSA-N 0 3 323.462 2.302 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNCc2cc(OC)no2)C1 ZINC001026988512 633333592 /nfs/dbraw/zinc/33/35/92/633333592.db2.gz IEOGAHWKVYYQFU-ZDUSSCGKSA-N 0 3 321.421 2.224 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001026988570 633334361 /nfs/dbraw/zinc/33/43/61/633334361.db2.gz KAMOXQOENHDVMO-TZMCWYRMSA-N 0 3 319.453 2.215 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNCc2cnc(C)cn2)C1 ZINC001026988820 633335108 /nfs/dbraw/zinc/33/51/08/633335108.db2.gz QJIVNDBFEMDVGL-OAHLLOKOSA-N 0 3 316.449 2.325 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3n[nH]cc32)C(C)(C)C1 ZINC000974891253 633358853 /nfs/dbraw/zinc/35/88/53/633358853.db2.gz OIYMFUUVOHBROF-INIZCTEOSA-N 0 3 310.401 2.026 20 30 DEEDHN Cc1nocc1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001027032573 633364872 /nfs/dbraw/zinc/36/48/72/633364872.db2.gz NGUHOMRGLIRGQO-AWEZNQCLSA-N 0 3 324.384 2.107 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nc(OC)c2)C(C)(C)C1 ZINC000974979016 633382114 /nfs/dbraw/zinc/38/21/14/633382114.db2.gz CBAAXBMVNUXUSR-OAHLLOKOSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc(OCC)c2)C(C)(C)C1 ZINC000975023387 633386490 /nfs/dbraw/zinc/38/64/90/633386490.db2.gz WXHUTGJQSHNBAK-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000975040194 633394377 /nfs/dbraw/zinc/39/43/77/633394377.db2.gz SKYQMNOGGXQDQJ-DOTOQJQBSA-N 0 3 313.445 2.199 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3c2OCC3)C(C)(C)C1 ZINC000975068137 633406042 /nfs/dbraw/zinc/40/60/42/633406042.db2.gz UIEXRKSKAQOHJT-INIZCTEOSA-N 0 3 312.413 2.085 20 30 DEEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000125274609 633519071 /nfs/dbraw/zinc/51/90/71/633519071.db2.gz WSTHTGNASVNLGF-CYBMUJFWSA-N 0 3 324.340 2.225 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2oc(C)nc2C)CC1 ZINC000997000845 633557851 /nfs/dbraw/zinc/55/78/51/633557851.db2.gz XGQXUONAAVQQAJ-GFCCVEGCSA-N 0 3 303.406 2.145 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000997039929 633563115 /nfs/dbraw/zinc/56/31/15/633563115.db2.gz CDRPRTVBAFIAFV-GFCCVEGCSA-N 0 3 313.239 2.276 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C)sn2)CC1 ZINC000997047366 633565485 /nfs/dbraw/zinc/56/54/85/633565485.db2.gz UGTGWZJKSMXKPI-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccc(CC)n2)CC1 ZINC000997143333 633627248 /nfs/dbraw/zinc/62/72/48/633627248.db2.gz GOOLBKNDMPKEQE-OAHLLOKOSA-N 0 3 313.445 2.498 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027336131 633663300 /nfs/dbraw/zinc/66/33/00/633663300.db2.gz NTMIAZIOSFLTAA-PBHICJAKSA-N 0 3 310.401 2.141 20 30 DEEDHN Cc1nc(CCN(C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001027336631 633663906 /nfs/dbraw/zinc/66/39/06/633663906.db2.gz SKQAHTZCLMRZSG-SWLSCSKDSA-N 0 3 320.462 2.077 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COc2cccc(F)c2)cs1 ZINC000921586833 633736882 /nfs/dbraw/zinc/73/68/82/633736882.db2.gz ODNKUBMYQYZDGR-CYBMUJFWSA-N 0 3 306.362 2.288 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001027410953 633749460 /nfs/dbraw/zinc/74/94/60/633749460.db2.gz IYPZLLMKYWQSID-STQMWFEESA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001027414511 633754106 /nfs/dbraw/zinc/75/41/06/633754106.db2.gz QVMDRZSNDMOYGB-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001009627775 633761031 /nfs/dbraw/zinc/76/10/31/633761031.db2.gz MMKAZHROTZPXDM-SJORKVTESA-N 0 3 301.434 2.270 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001027443539 633793425 /nfs/dbraw/zinc/79/34/25/633793425.db2.gz MRWANDZCCXGWEL-HNNXBMFYSA-N 0 3 323.396 2.110 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001027447962 633800063 /nfs/dbraw/zinc/80/00/63/633800063.db2.gz CMQDFROLOFEUJR-INIZCTEOSA-N 0 3 324.428 2.121 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)noc2C(F)F)C1 ZINC001027460473 633828291 /nfs/dbraw/zinc/82/82/91/633828291.db2.gz LORWYKNYHFZUEO-NSHDSACASA-N 0 3 311.332 2.090 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001027479715 633863522 /nfs/dbraw/zinc/86/35/22/633863522.db2.gz OLFGXAXAUHYMNT-GFCCVEGCSA-N 0 3 320.824 2.110 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(COC)cs2)C1 ZINC001027481478 633865424 /nfs/dbraw/zinc/86/54/24/633865424.db2.gz SAOFYYCHCLWLJR-CQSZACIVSA-N 0 3 306.431 2.064 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2coc(CC)n2)CC1 ZINC000997552700 633866897 /nfs/dbraw/zinc/86/68/97/633866897.db2.gz KYMSJGGTBDCAKC-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnc(C3CC3)o2)CC1 ZINC000997621298 633902930 /nfs/dbraw/zinc/90/29/30/633902930.db2.gz RUYBVTZKIUUFMJ-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000997670905 633922701 /nfs/dbraw/zinc/92/27/01/633922701.db2.gz XKRMCWAVTATIOD-WDYCEAGBSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc3cnccc3c2)CC1 ZINC000997676229 633927776 /nfs/dbraw/zinc/92/77/76/633927776.db2.gz HWKAYDZOIASIQE-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001027508767 633932754 /nfs/dbraw/zinc/93/27/54/633932754.db2.gz IVNRXZNPFGXWBF-ZDUSSCGKSA-N 0 3 322.840 2.287 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nccc3occc32)CC1 ZINC000997691597 633934305 /nfs/dbraw/zinc/93/43/05/633934305.db2.gz KGKVJEAMYAESRS-ZDUSSCGKSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC001027512871 633947813 /nfs/dbraw/zinc/94/78/13/633947813.db2.gz YZCPHCOKXAQEBF-ZDUSSCGKSA-N 0 3 313.357 2.104 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccn(C)c2CC)CC1 ZINC000997747877 633961671 /nfs/dbraw/zinc/96/16/71/633961671.db2.gz DDRMVTNGUJXNHF-HNNXBMFYSA-N 0 3 315.461 2.441 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnoc2CC)CC1 ZINC000997778214 633972143 /nfs/dbraw/zinc/97/21/43/633972143.db2.gz DGFQCXGFYVPHDU-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000909375626 634002015 /nfs/dbraw/zinc/00/20/15/634002015.db2.gz KXSYQNWGXMDEBE-OAHLLOKOSA-N 0 3 301.390 2.348 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2scnc2Cl)CC1 ZINC000997863458 634013690 /nfs/dbraw/zinc/01/36/90/634013690.db2.gz MMQQEMVYLDGQEP-JTQLQIEISA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000977547329 634041477 /nfs/dbraw/zinc/04/14/77/634041477.db2.gz QYICCXNWNSQRJT-QGZVFWFLSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccccc2F)C(C)(C)C1 ZINC000977562403 634047000 /nfs/dbraw/zinc/04/70/00/634047000.db2.gz QAJCGROSYXMIBJ-MRXNPFEDSA-N 0 3 302.393 2.218 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)c4ccco4)[C@@H]3C2)cc1 ZINC000977692896 634102641 /nfs/dbraw/zinc/10/26/41/634102641.db2.gz BSBZBMDKCPQKNB-OSYLJGHBSA-N 0 3 321.380 2.259 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccn3cncc3c2)CC1 ZINC000998049772 634124466 /nfs/dbraw/zinc/12/44/66/634124466.db2.gz JBSMOOWRMDPYSA-KRWDZBQOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(OC)ccn2)CC1 ZINC000998081864 634136048 /nfs/dbraw/zinc/13/60/48/634136048.db2.gz YWAMGZJNMADSNW-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001027596233 634246152 /nfs/dbraw/zinc/24/61/52/634246152.db2.gz QCCMIKBPFCFIKP-LJQANCHMSA-N 0 3 323.440 2.232 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001027600306 634251478 /nfs/dbraw/zinc/25/14/78/634251478.db2.gz BMYUUMSWIPMAJK-NVXWUHKLSA-N 0 3 306.450 2.280 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4c(o3)CCCC4)[C@@H]2C1 ZINC000978264635 634262009 /nfs/dbraw/zinc/26/20/09/634262009.db2.gz HFMSOYGBKYAHOX-PHZGNYQRSA-N 0 3 312.413 2.089 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3cccnc3s2)C1 ZINC001027639425 634362129 /nfs/dbraw/zinc/36/21/29/634362129.db2.gz WULCQGOWPAJVMR-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cnco3)C[C@H]2C1 ZINC000980149035 634863938 /nfs/dbraw/zinc/86/39/38/634863938.db2.gz KZQMSICDRPIDDN-RWMBFGLXSA-N 0 3 309.797 2.257 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3nc(C)c[nH]3)C[C@@H]2C1 ZINC000980183623 634882267 /nfs/dbraw/zinc/88/22/67/634882267.db2.gz ILWHENFOLXOAEG-BFHYXJOUSA-N 0 3 322.840 2.301 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001027904026 634925096 /nfs/dbraw/zinc/92/50/96/634925096.db2.gz NHRBTOKJDIYWQQ-INIZCTEOSA-N 0 3 315.417 2.334 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3[nH]cnc3C)C[C@@H]2C1 ZINC000980280680 634928407 /nfs/dbraw/zinc/92/84/07/634928407.db2.gz UVCFNWAHAOEJEN-BFHYXJOUSA-N 0 3 322.840 2.301 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000980300839 634939862 /nfs/dbraw/zinc/93/98/62/634939862.db2.gz VHDLMDQUUFBSIC-GFCCVEGCSA-N 0 3 318.808 2.462 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913774 634954856 /nfs/dbraw/zinc/95/48/56/634954856.db2.gz OKOYWDRSPXFDFV-AWEZNQCLSA-N 0 3 307.463 2.190 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001027924137 634975125 /nfs/dbraw/zinc/97/51/25/634975125.db2.gz DERNOLFGFWIEQC-NSHDSACASA-N 0 3 310.829 2.396 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccccc2Cl)C1 ZINC000980378512 634976997 /nfs/dbraw/zinc/97/69/97/634976997.db2.gz YBZYUYAXXXTEMJ-ZDUSSCGKSA-N 0 3 308.809 2.438 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001027933036 634998376 /nfs/dbraw/zinc/99/83/76/634998376.db2.gz OHKRCMLCNCWQAQ-KRWDZBQOSA-N 0 3 310.401 2.253 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980446563 635002388 /nfs/dbraw/zinc/00/23/88/635002388.db2.gz URFHCIQQXRIHLR-GOSISDBHSA-N 0 3 322.412 2.162 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980447692 635002929 /nfs/dbraw/zinc/00/29/29/635002929.db2.gz GTWGNHWZLSAGER-GOSISDBHSA-N 0 3 322.412 2.162 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)nn(CC)c2Cl)C1 ZINC000980438138 635005292 /nfs/dbraw/zinc/00/52/92/635005292.db2.gz IPLFZVIPASXFSU-LBPRGKRZSA-N 0 3 310.829 2.197 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC000980489647 635020511 /nfs/dbraw/zinc/02/05/11/635020511.db2.gz AZNORTIQPQMMPL-CQSZACIVSA-N 0 3 305.397 2.224 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC000980567458 635045989 /nfs/dbraw/zinc/04/59/89/635045989.db2.gz RTSPPIAEWYQJBB-INIZCTEOSA-N 0 3 315.417 2.286 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC001027968413 635113644 /nfs/dbraw/zinc/11/36/44/635113644.db2.gz QOWCGMHRMVDMEC-CQSZACIVSA-N 0 3 303.406 2.169 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000980941264 635248568 /nfs/dbraw/zinc/24/85/68/635248568.db2.gz RYFGGQVHZXNCOM-DLBZAZTESA-N 0 3 323.400 2.112 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn(CC)nc2C2CC2)CC1 ZINC001000742595 635293402 /nfs/dbraw/zinc/29/34/02/635293402.db2.gz NURNHNAXXNCBIM-UHFFFAOYSA-N 0 3 314.433 2.328 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2sc3nccn3c2C)CC1 ZINC001000788182 635302324 /nfs/dbraw/zinc/30/23/24/635302324.db2.gz OQOGNRNFEAKRSL-UHFFFAOYSA-N 0 3 316.430 2.252 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccnc(-n3cccc3)c2)CC1 ZINC001000813811 635313138 /nfs/dbraw/zinc/31/31/38/635313138.db2.gz NQNKEDGSLCBHRI-UHFFFAOYSA-N 0 3 322.412 2.420 20 30 DEEDHN O=C(C#CC1CC1)N1CCCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000981126170 635326613 /nfs/dbraw/zinc/32/66/13/635326613.db2.gz QHLAUOMSOFRBFD-HNNXBMFYSA-N 0 3 310.388 2.370 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981185798 635356036 /nfs/dbraw/zinc/35/60/36/635356036.db2.gz IDOHWJYGQFOCGB-OAGGEKHMSA-N 0 3 312.429 2.250 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN(C[C@H](C)OC)CC1 ZINC000981242543 635398659 /nfs/dbraw/zinc/39/86/59/635398659.db2.gz LYHXMYGIOLPFGQ-LBPRGKRZSA-N 0 3 302.846 2.334 20 30 DEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000921820107 635402639 /nfs/dbraw/zinc/40/26/39/635402639.db2.gz RYAZMLYUABCCEB-RDJZCZTQSA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC001001219534 635428815 /nfs/dbraw/zinc/42/88/15/635428815.db2.gz QZLVQDUOVILVPW-QGZVFWFLSA-N 0 3 316.376 2.064 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCCN(C[C@H](CC)OC)CC1 ZINC000981336847 635442950 /nfs/dbraw/zinc/44/29/50/635442950.db2.gz CYLVBJDAXDZARM-INIZCTEOSA-N 0 3 319.449 2.247 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001028092210 635470962 /nfs/dbraw/zinc/47/09/62/635470962.db2.gz NSTISVQDVNCKJR-GDBMZVCRSA-N 0 3 312.413 2.400 20 30 DEEDHN C=CCCN1CCCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000981431662 635477778 /nfs/dbraw/zinc/47/77/78/635477778.db2.gz RXGGMYFEUHIIAQ-UHFFFAOYSA-N 0 3 304.438 2.037 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(OC)ccc2OC)CC1 ZINC001001428819 635496250 /nfs/dbraw/zinc/49/62/50/635496250.db2.gz QPOBENIHWODNLS-UHFFFAOYSA-N 0 3 316.401 2.252 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnn(C(C)(C)C)c2C)CC1 ZINC001001464399 635501111 /nfs/dbraw/zinc/50/11/11/635501111.db2.gz WSDADISFFOWHSX-UHFFFAOYSA-N 0 3 316.449 2.022 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000981563426 635532546 /nfs/dbraw/zinc/53/25/46/635532546.db2.gz FXPAHQWGLQPJLA-UHFFFAOYSA-N 0 3 302.393 2.316 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC001001601778 635534260 /nfs/dbraw/zinc/53/42/60/635534260.db2.gz ZLCCQXUDCPDGBE-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ncsc2C2CC2)CC1 ZINC001001827136 635556526 /nfs/dbraw/zinc/55/65/26/635556526.db2.gz COXUUQLGRULXPN-UHFFFAOYSA-N 0 3 303.431 2.096 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000981640811 635576959 /nfs/dbraw/zinc/57/69/59/635576959.db2.gz MQLUDXXXEXKNAI-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cccc3c2ccn3C)CC1 ZINC001001945260 635580764 /nfs/dbraw/zinc/58/07/64/635580764.db2.gz IDOKHZNKSICZJY-UHFFFAOYSA-N 0 3 309.413 2.253 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)CC1 ZINC001001935205 635583260 /nfs/dbraw/zinc/58/32/60/635583260.db2.gz SBRWNMJGYBWQSD-UHFFFAOYSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2oc(CC)nc2C)CC1 ZINC001002020000 635594426 /nfs/dbraw/zinc/59/44/26/635594426.db2.gz JKZIRPWXIIXQQX-UHFFFAOYSA-N 0 3 303.406 2.011 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cn(C(C)C)nc2C)CC1 ZINC001002038632 635609616 /nfs/dbraw/zinc/60/96/16/635609616.db2.gz DKBKNYJLALMYKL-UHFFFAOYSA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnc3onc(C)c3c2)CC1 ZINC000981725089 635609867 /nfs/dbraw/zinc/60/98/67/635609867.db2.gz MJKSCRGKNBDUMX-UHFFFAOYSA-N 0 3 314.389 2.255 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CCN(C[C@H](F)CC)CC2)cn1 ZINC001002055224 635615101 /nfs/dbraw/zinc/61/51/01/635615101.db2.gz OAKQVISEOBLTCM-MRXNPFEDSA-N 0 3 317.408 2.253 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CCN(C[C@H](F)CC)CC2)nc1 ZINC001002054345 635615465 /nfs/dbraw/zinc/61/54/65/635615465.db2.gz BGNHGTHZIFYJED-MRXNPFEDSA-N 0 3 317.408 2.253 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC000981746685 635629200 /nfs/dbraw/zinc/62/92/00/635629200.db2.gz LJEWJHFZOZZRIM-AWEZNQCLSA-N 0 3 319.405 2.250 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3ccn(C(F)F)n3)C2)C1 ZINC000981792856 635652328 /nfs/dbraw/zinc/65/23/28/635652328.db2.gz BDMMHQVJIYJTBR-UHFFFAOYSA-N 0 3 324.375 2.392 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C(C)(C)C(C)C)CCO2 ZINC000949105627 635700357 /nfs/dbraw/zinc/70/03/57/635700357.db2.gz WBPJSBCAJFUQPT-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3ccc4n[nH]cc4c3)C2)C1 ZINC000981888686 635718055 /nfs/dbraw/zinc/71/80/55/635718055.db2.gz XXVLWDLEYAVZMQ-UHFFFAOYSA-N 0 3 324.428 2.216 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C4CC4)on3)C2)C1 ZINC000981921777 635730706 /nfs/dbraw/zinc/73/07/06/635730706.db2.gz DXDOZMMFBGDOMC-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001028155447 635737512 /nfs/dbraw/zinc/73/75/12/635737512.db2.gz DBUIGRKBYLXFOG-CYBMUJFWSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(OC)cs3)C2)C1 ZINC000981931152 635739025 /nfs/dbraw/zinc/73/90/25/635739025.db2.gz VUSYGEOVATXKJZ-UHFFFAOYSA-N 0 3 306.431 2.481 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CC3CC(OCC)C3)C2)C1 ZINC000981958697 635765622 /nfs/dbraw/zinc/76/56/22/635765622.db2.gz PNLPFZUBBACQQJ-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001028169958 635768101 /nfs/dbraw/zinc/76/81/01/635768101.db2.gz HOMYSSFSCFZPIW-GOSISDBHSA-N 0 3 311.429 2.443 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001028172575 635768773 /nfs/dbraw/zinc/76/87/73/635768773.db2.gz ZRWRKTOJENRKTI-NVXWUHKLSA-N 0 3 318.392 2.286 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCCN2CC(=C)C)cc1 ZINC001028183182 635786301 /nfs/dbraw/zinc/78/63/01/635786301.db2.gz OJRYNBYWAMWDNI-QGZVFWFLSA-N 0 3 312.413 2.469 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)C1 ZINC000982032100 635829697 /nfs/dbraw/zinc/82/96/97/635829697.db2.gz LZUSQNLCTFAXSC-DLBZAZTESA-N 0 3 311.429 2.296 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(C)nc3OC)C2)C1 ZINC000982055506 635847220 /nfs/dbraw/zinc/84/72/20/635847220.db2.gz BUIOGKUTESUEAR-UHFFFAOYSA-N 0 3 315.417 2.123 20 30 DEEDHN C=CCN1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000982047361 635854391 /nfs/dbraw/zinc/85/43/91/635854391.db2.gz RGROWYOFUQHCHK-UHFFFAOYSA-N 0 3 310.401 2.411 20 30 DEEDHN C=CCN1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2C)CC1 ZINC000982080794 635863126 /nfs/dbraw/zinc/86/31/26/635863126.db2.gz AJEJRDUYZDOMID-UHFFFAOYSA-N 0 3 316.327 2.071 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000982135303 635888656 /nfs/dbraw/zinc/88/86/56/635888656.db2.gz BABHGAGBRKDTDK-UHFFFAOYSA-N 0 3 324.428 2.216 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCOC2(CCN(CC#CC)CC2)C1 ZINC000949153582 635920564 /nfs/dbraw/zinc/92/05/64/635920564.db2.gz AAGCPFAOCJSTCS-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN CCN(C(=O)Nc1nc(Cl)c(C#N)s1)[C@@H]1CCN(C)C1 ZINC000888425794 635937201 /nfs/dbraw/zinc/93/72/01/635937201.db2.gz AYKAECLFWHQEEE-MRVPVSSYSA-N 0 3 313.814 2.226 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC1(C)C)CCO2 ZINC000949164645 635941412 /nfs/dbraw/zinc/94/14/12/635941412.db2.gz QUVNGMIEYCDKFC-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC[C@H](F)C3)C[C@]2(C)C1 ZINC000982279779 635942634 /nfs/dbraw/zinc/94/26/34/635942634.db2.gz HWMHLXDQYHQHOD-UOVPBQLFSA-N 0 3 306.425 2.318 20 30 DEEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1scc2c1OCCO2 ZINC001028242544 635952210 /nfs/dbraw/zinc/95/22/10/635952210.db2.gz HJYQFZFVEPFRPR-GFCCVEGCSA-N 0 3 322.430 2.290 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]3C(F)F)C[C@]2(C)C1 ZINC000982295940 635953484 /nfs/dbraw/zinc/95/34/84/635953484.db2.gz GULQDWULXYJGEO-IHETXDGRSA-N 0 3 324.415 2.471 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3snnc3CC)C[C@]2(C)C1 ZINC000982353804 635991762 /nfs/dbraw/zinc/99/17/62/635991762.db2.gz YKEDFTLPUJZJQB-IYBDPMFKSA-N 0 3 320.462 2.071 20 30 DEEDHN C=C1CCC(C(=O)NC2CCN(CCn3cccn3)CC2)CC1 ZINC001003561766 635995246 /nfs/dbraw/zinc/99/52/46/635995246.db2.gz KSIYNEACIVMKQO-UHFFFAOYSA-N 0 3 316.449 2.210 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000982403894 636011207 /nfs/dbraw/zinc/01/12/07/636011207.db2.gz ZRHGBBKUCXPMLA-MBBYRJAFSA-N 0 3 300.446 2.226 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000922246030 636031987 /nfs/dbraw/zinc/03/19/87/636031987.db2.gz CTTVSGAFRPZJIA-HIFRSBDPSA-N 0 3 306.431 2.230 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NCCC#N)CCO2 ZINC000894084180 636105314 /nfs/dbraw/zinc/10/53/14/636105314.db2.gz RORJXSFOSNLYMC-CQSZACIVSA-N 0 3 323.437 2.438 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccnc1OCC ZINC001028298002 636118204 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ZINC001028589834 636408171 /nfs/dbraw/zinc/40/81/71/636408171.db2.gz SBQLFONJGQHWGF-AWEZNQCLSA-N 0 3 309.369 2.027 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2scnc2C2CCCC2)C1 ZINC001028664331 636579803 /nfs/dbraw/zinc/57/98/03/636579803.db2.gz JKNADWYEBVKKSI-CYBMUJFWSA-N 0 3 317.458 2.486 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(C)n(CC)c2C)C1 ZINC001028665631 636582128 /nfs/dbraw/zinc/58/21/28/636582128.db2.gz NJUUBAQYUZGUJT-MRXNPFEDSA-N 0 3 301.434 2.200 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)c2ccoc2)C1 ZINC000983168414 636651812 /nfs/dbraw/zinc/65/18/12/636651812.db2.gz RNUUXTLFJZUSFG-WJYNOGRTSA-N 0 3 309.369 2.449 20 30 DEEDHN C#CCSCCNCc1c2ccccc2[nH]c1C(=O)OC ZINC000894281973 636679064 /nfs/dbraw/zinc/67/90/64/636679064.db2.gz WGNFFRQUNZRBPP-UHFFFAOYSA-N 0 3 302.399 2.411 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001028773950 636725997 /nfs/dbraw/zinc/72/59/97/636725997.db2.gz PVAVCLPEHRSVNT-LLVKDONJSA-N 0 3 310.319 2.179 20 30 DEEDHN 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Cc1nc(C)c(CN(C)CC2CCN(C(=O)[C@H](C)C#N)CC2)o1 ZINC001029946774 639921294 /nfs/dbraw/zinc/92/12/94/639921294.db2.gz VTDHVFBJCVNDIJ-GFCCVEGCSA-N 0 3 318.421 2.122 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](NCc3cncn3C)[C@@H]2C)CC1 ZINC000986854126 640000619 /nfs/dbraw/zinc/00/06/19/640000619.db2.gz MSIGZGXDZQMLNK-YOEHRIQHSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCCOc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000760451607 640194504 /nfs/dbraw/zinc/19/45/04/640194504.db2.gz NXBYJBHJKAMSQL-AWEZNQCLSA-N 0 3 301.308 2.492 20 30 DEEDHN C=CCN1CC(=O)N(C[C@H](c2cccs2)N2CCCC2)C1=O ZINC000760942984 640246045 /nfs/dbraw/zinc/24/60/45/640246045.db2.gz JLNFJKZNYNDPPR-CYBMUJFWSA-N 0 3 319.430 2.335 20 30 DEEDHN C#CCOCCN(C)C[C@H](O)c1ccccc1Br ZINC000761113625 640272042 /nfs/dbraw/zinc/27/20/42/640272042.db2.gz HKFMVOCYMRKBFO-AWEZNQCLSA-N 0 3 312.207 2.064 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)CN(C3CCCC3)C2=O)CC1 ZINC000761247779 640289901 /nfs/dbraw/zinc/28/99/01/640289901.db2.gz FRKBSAGVWRDBLF-UHFFFAOYSA-N 0 3 305.422 2.234 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000762368350 640420276 /nfs/dbraw/zinc/42/02/76/640420276.db2.gz ZAENGYAPXCDGKI-SFHVURJKSA-N 0 3 319.408 2.409 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@]2(OC)CCOC2)c([O-])c1 ZINC000763363165 640535151 /nfs/dbraw/zinc/53/51/51/640535151.db2.gz SNMAOEMMPUOAMY-PBXDPIQXSA-N 0 3 306.406 2.463 20 30 DEEDHN CCCCCCC[C@@H](C)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000763969449 640591163 /nfs/dbraw/zinc/59/11/63/640591163.db2.gz QAYVPPPXJROQBJ-IAGOWNOFSA-N 0 3 309.498 2.489 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(OCC)cc2)C1 ZINC000989068304 640715797 /nfs/dbraw/zinc/71/57/97/640715797.db2.gz JUJOZHMIBFDIOG-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc3ccc(OC)cc32)C1 ZINC000989156983 640738882 /nfs/dbraw/zinc/73/88/82/640738882.db2.gz BGBAQDXMDBQJRC-OLZOCXBDSA-N 0 3 312.369 2.267 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NCc3cccnc3)C[C@@H]2C)cc1 ZINC000989276986 640774754 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C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C3CCCCC3)c2)C1 ZINC000989652060 641184435 /nfs/dbraw/zinc/18/44/35/641184435.db2.gz HADKQVAXJNHILQ-GDBMZVCRSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001014426247 641191147 /nfs/dbraw/zinc/19/11/47/641191147.db2.gz QNISRWRMNFUAAO-AWEZNQCLSA-N 0 3 313.873 2.194 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000989672832 641193195 /nfs/dbraw/zinc/19/31/95/641193195.db2.gz AIEKHZBMLOBXSF-UHFFFAOYSA-N 0 3 316.449 2.403 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC000989685351 641195013 /nfs/dbraw/zinc/19/50/13/641195013.db2.gz AKIDNSGSQMHXED-GOEBONIOSA-N 0 3 309.413 2.231 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000769228259 641199435 /nfs/dbraw/zinc/19/94/35/641199435.db2.gz MUBKTWLGRCYSOJ-ZDUSSCGKSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC000989713849 641206907 /nfs/dbraw/zinc/20/69/07/641206907.db2.gz 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/nfs/dbraw/zinc/60/75/52/641607552.db2.gz UJOLAVXAHPORPS-ZDUSSCGKSA-N 0 3 312.207 2.322 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)COC2(C)CCC2)c1 ZINC000772972982 641712012 /nfs/dbraw/zinc/71/20/12/641712012.db2.gz YHHCWXGYIQAZAQ-CQSZACIVSA-N 0 3 316.357 2.302 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC ZINC000842288698 650694805 /nfs/dbraw/zinc/69/48/05/650694805.db2.gz JDRDJUNWPFXDNU-DOMZBBRYSA-N 0 3 318.373 2.404 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCO[C@H]3C=C)CCC[C@H]12 ZINC000990739554 641841859 /nfs/dbraw/zinc/84/18/59/641841859.db2.gz IZSHSSNWGYABGF-MUQADHOPSA-N 0 3 304.434 2.267 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCC(=O)CC1 ZINC000773980175 641847984 /nfs/dbraw/zinc/84/79/84/641847984.db2.gz NVRCYINXHJXCIO-ZDUSSCGKSA-N 0 3 314.341 2.102 20 30 DEEDHN N#CCCCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899046850 641910420 /nfs/dbraw/zinc/91/04/20/641910420.db2.gz DVZWAXYDFJXDLU-UHFFFAOYSA-N 0 3 305.769 2.343 20 30 DEEDHN C=CCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 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Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000900827023 642482872 /nfs/dbraw/zinc/48/28/72/642482872.db2.gz DBQJNOVYPSOGQW-FNHJVCLDSA-N 0 3 300.402 2.333 20 30 DEEDHN C#Cc1cccc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000779353667 642490545 /nfs/dbraw/zinc/49/05/45/642490545.db2.gz OEWMOWHRYYKULC-LSDHHAIUSA-N 0 3 303.431 2.177 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000900980174 642535909 /nfs/dbraw/zinc/53/59/09/642535909.db2.gz IHAKJPNILHIYIU-HZPDHXFCSA-N 0 3 314.429 2.287 20 30 DEEDHN C(=NNc1ccncc1)c1cccc(C=[NH+][N-]c2ccncc2)c1 ZINC000779809343 642542564 /nfs/dbraw/zinc/54/25/64/642542564.db2.gz ITQKBTVOVKTQDO-UHFFFAOYSA-N 0 3 316.368 2.212 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCc1ccc(C#N)cn1)c1ccccc1 ZINC000780155014 642593463 /nfs/dbraw/zinc/59/34/63/642593463.db2.gz NSYQAJNUOLRIGM-QGZVFWFLSA-N 0 3 323.400 2.055 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780306627 642610345 /nfs/dbraw/zinc/61/03/45/642610345.db2.gz 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/nfs/dbraw/zinc/22/58/77/643225877.db2.gz OFPRBXBDMAPOOD-LIRRHRJNSA-N 0 3 307.397 2.480 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000786444153 643368143 /nfs/dbraw/zinc/36/81/43/643368143.db2.gz JOWPFMOQZRSRPV-HNNXBMFYSA-N 0 3 317.433 2.358 20 30 DEEDHN CO[C@@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786537979 643381647 /nfs/dbraw/zinc/38/16/47/643381647.db2.gz SSQJICLJKZUOKN-GXFFZTMASA-N 0 3 308.765 2.090 20 30 DEEDHN N#CC(C(=O)C[C@H]1CCCO1)C(=O)NCc1cccc(Cl)c1 ZINC000786534157 643381661 /nfs/dbraw/zinc/38/16/61/643381661.db2.gz ITGKIDJBGGZPQM-ZIAGYGMSSA-N 0 3 320.776 2.234 20 30 DEEDHN C=C(COC(=O)CCN1CCc2ccccc2C1)C(=O)OCC ZINC000786821393 643414454 /nfs/dbraw/zinc/41/44/54/643414454.db2.gz LINURGPGQHNASY-UHFFFAOYSA-N 0 3 317.385 2.097 20 30 DEEDHN C=CCOCC(=O)C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000787045892 643444420 /nfs/dbraw/zinc/44/44/20/643444420.db2.gz LEDNWKFIRUUEEF-CABCVRRESA-N 0 3 300.358 2.165 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccccc2C#N)cc1 ZINC000788415280 643605854 /nfs/dbraw/zinc/60/58/54/643605854.db2.gz GILHNSXSRUHBML-UHFFFAOYSA-N 0 3 316.382 2.388 20 30 DEEDHN COCCOCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905087276 643780490 /nfs/dbraw/zinc/78/04/90/643780490.db2.gz WXKXPIDPICLLHQ-DGGAMASNSA-N 0 3 313.357 2.282 20 30 DEEDHN CO[C@H](CNC[C@](C)(O)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000905119197 643795734 /nfs/dbraw/zinc/79/57/34/643795734.db2.gz XJWQEDDBHOZIDW-RITPCOANSA-N 0 3 319.192 2.102 20 30 DEEDHN CCOCc1nc(C)cc(N=NC2CN(C(C)C)C[C@@H]2C)n1 ZINC000905504058 643927527 /nfs/dbraw/zinc/92/75/27/643927527.db2.gz FDDAKOUERSRTMM-LBPRGKRZSA-N 0 3 305.426 2.450 20 30 DEEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCO[C@@H](C)C#N)cc1 ZINC000792947645 644172161 /nfs/dbraw/zinc/17/21/61/644172161.db2.gz HHQKZPWQVAGNHZ-QWHCGFSZSA-N 0 3 310.419 2.059 20 30 DEEDHN Cc1nn(C)c(N2CCOCC2)c1C=NNCC1(C)CCCC1 ZINC000793081826 644189448 /nfs/dbraw/zinc/18/94/48/644189448.db2.gz NVYWKNAOOHTEKX-UHFFFAOYSA-N 0 3 319.453 2.069 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(-c2ccn(C)n2)nn1 ZINC000906315254 644207607 /nfs/dbraw/zinc/20/76/07/644207607.db2.gz XIDDVBJCHKUPLT-HIFRSBDPSA-N 0 3 300.410 2.225 20 30 DEEDHN C=CCNc1ncc(C(=O)N[C@@H](C)C2=CCN(C)CC2)s1 ZINC000907284172 644499231 /nfs/dbraw/zinc/49/92/31/644499231.db2.gz UNJATGKMZDUYOR-NSHDSACASA-N 0 3 306.435 2.121 20 30 DEEDHN C=C(C)CCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000795203752 644534590 /nfs/dbraw/zinc/53/45/90/644534590.db2.gz DQJDXRFKJPCKAW-UHFFFAOYSA-N 0 3 317.433 2.456 20 30 DEEDHN N#CC(C(=O)C1CCC(NC(=O)C2CC2)CC1)c1ccccn1 ZINC000796631173 644767679 /nfs/dbraw/zinc/76/76/79/644767679.db2.gz HRFLCCBMJSNPPE-PESDSKBTSA-N 0 3 311.385 2.343 20 30 DEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000796884778 644807444 /nfs/dbraw/zinc/80/74/44/644807444.db2.gz KSOKHRSZEQRBOF-YSVLISHTSA-N 0 3 316.401 2.381 20 30 DEEDHN Cc1c(CC(=O)C(C#N)c2nc3c(cccc3C)[nH]2)cnn1C ZINC000796914219 644812786 /nfs/dbraw/zinc/81/27/86/644812786.db2.gz XPQJFACPZZBKIA-CYBMUJFWSA-N 0 3 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/nfs/dbraw/zinc/95/06/35/648950635.db2.gz CMYFPDPBTLWCAU-GFCCVEGCSA-N 0 3 320.462 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C(C)(C)C1 ZINC000940888949 648963271 /nfs/dbraw/zinc/96/32/71/648963271.db2.gz XJIADEAOIDBTFV-DAYGRLMNSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(OC)ccn2)C(C)(C)C1 ZINC000940935412 648970142 /nfs/dbraw/zinc/97/01/42/648970142.db2.gz BCCVVGNAAPHGHG-HNNXBMFYSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000827114095 648973841 /nfs/dbraw/zinc/97/38/41/648973841.db2.gz DWLLBKVJLIVPJI-INIZCTEOSA-N 0 3 303.450 2.328 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC2CC(OCC)C2)C(C)(C)C1 ZINC000940972657 648976862 /nfs/dbraw/zinc/97/68/62/648976862.db2.gz OVDBNANNTICKRY-OFLPRAFFSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CCOCC2)C(C)(C)C1 ZINC000941255419 649029515 /nfs/dbraw/zinc/02/95/15/649029515.db2.gz FZUXJIMKRJKPTB-WBVHZDCISA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C(C)(C)C3CC3)CC2)C1 ZINC000941529772 649055266 /nfs/dbraw/zinc/05/52/66/649055266.db2.gz UPMYKBUFGUAFAF-UHFFFAOYSA-N 0 3 319.493 2.217 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 ZINC000941549830 649056830 /nfs/dbraw/zinc/05/68/30/649056830.db2.gz IIQINNWCSMIFRI-LPHOPBHVSA-N 0 3 321.509 2.463 20 30 DEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1NC(=O)c1cocn1 ZINC000941885410 649111783 /nfs/dbraw/zinc/11/17/83/649111783.db2.gz MEBBYVGXDHITKW-CZUORRHYSA-N 0 3 324.384 2.187 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H](C)C1 ZINC000942040190 649139612 /nfs/dbraw/zinc/13/96/12/649139612.db2.gz HVFMDMWORQWAEQ-ZIAGYGMSSA-N 0 3 304.438 2.170 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@H](C)C1 ZINC000942104220 649156052 /nfs/dbraw/zinc/15/60/52/649156052.db2.gz BSVCKMOBFSZITL-KGLIPLIRSA-N 0 3 304.438 2.264 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnn2CC(C)C)[C@H](C)C1 ZINC000942097067 649156096 /nfs/dbraw/zinc/15/60/96/649156096.db2.gz 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ZINC000942343273 649206408 /nfs/dbraw/zinc/20/64/08/649206408.db2.gz JKLQETQBNDESTB-YJBOKZPZSA-N 0 3 324.428 2.499 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3cnccc3s2)[C@H](C)C1 ZINC000942395231 649214032 /nfs/dbraw/zinc/21/40/32/649214032.db2.gz WXPAGKKAPRHGQQ-NEPJUHHUSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)[C@@H](C)C1 ZINC000942431518 649222002 /nfs/dbraw/zinc/22/20/02/649222002.db2.gz MVEZOTGGOLKUOQ-KBPBESRZSA-N 0 3 317.433 2.436 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)[C@@H](C)C1 ZINC000942518037 649231360 /nfs/dbraw/zinc/23/13/60/649231360.db2.gz LBVGCJGSHYEXNK-FZMZJTMJSA-N 0 3 303.406 2.487 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccncc2OC(C)C)[C@H](C)C1 ZINC000942530095 649235814 /nfs/dbraw/zinc/23/58/14/649235814.db2.gz PDYZNALVHDXSKT-GDBMZVCRSA-N 0 3 317.433 2.495 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3onc(C)c3c2)[C@@H](C)C1 ZINC000942547052 649242796 /nfs/dbraw/zinc/24/27/96/649242796.db2.gz FMASXPUDMDBART-NHYWBVRUSA-N 0 3 314.389 2.157 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@H](C)C1 ZINC000942551134 649243257 /nfs/dbraw/zinc/24/32/57/649243257.db2.gz PBSYLKRLYKQYOV-CZUORRHYSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H](C)C1 ZINC000942571517 649249609 /nfs/dbraw/zinc/24/96/09/649249609.db2.gz CURDYQOQGXRSSN-GOEBONIOSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000942584186 649254260 /nfs/dbraw/zinc/25/42/60/649254260.db2.gz SZOBEAXPRGNNGK-IUODEOHRSA-N 0 3 320.820 2.422 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)[C@@H](C)C1 ZINC000942824630 649290652 /nfs/dbraw/zinc/29/06/52/649290652.db2.gz XZTUSZLUOXBWMM-XJKSGUPXSA-N 0 3 312.417 2.269 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCCOc2cccc(C)c2)C1 ZINC000829774843 649353505 /nfs/dbraw/zinc/35/35/05/649353505.db2.gz VFDYPEYICYNBBD-KRWDZBQOSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2ccc(OC)cc2)C1 ZINC000829773560 649353664 /nfs/dbraw/zinc/35/36/64/649353664.db2.gz FWYHXXLOTOBMHR-MRXNPFEDSA-N 0 3 300.402 2.047 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c3ccccc3nn2C)[C@@H](C)C1 ZINC000943964147 649466759 /nfs/dbraw/zinc/46/67/59/649466759.db2.gz DCBDKSNOMAAAOA-GOEBONIOSA-N 0 3 324.428 2.037 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@H](C)C1 ZINC000944044883 649474942 /nfs/dbraw/zinc/47/49/42/649474942.db2.gz AZEBWKBYVVEXGS-HIFRSBDPSA-N 0 3 316.449 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@H](C)C1 ZINC000944044883 649474944 /nfs/dbraw/zinc/47/49/44/649474944.db2.gz AZEBWKBYVVEXGS-HIFRSBDPSA-N 0 3 316.449 2.305 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@H](C)C1 ZINC000944061502 649478315 /nfs/dbraw/zinc/47/83/15/649478315.db2.gz FSJFRSVXINGGHS-UKRRQHHQSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2OC)[C@@H](C)C1 ZINC000944316579 649510528 /nfs/dbraw/zinc/51/05/28/649510528.db2.gz GFNBPKGSJLGCIV-ZFWWWQNUSA-N 0 3 318.417 2.330 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000944318549 649511040 /nfs/dbraw/zinc/51/10/40/649511040.db2.gz QPZSIXCKWAAAIW-CXAGYDPISA-N 0 3 318.417 2.330 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000944555234 649533838 /nfs/dbraw/zinc/53/38/38/649533838.db2.gz WJBSTQMRUPRIPX-MLGOLLRUSA-N 0 3 306.356 2.428 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](NCc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000995559769 649547665 /nfs/dbraw/zinc/54/76/65/649547665.db2.gz KSRXFVIESKDWLW-IAQYHMDHSA-N 0 3 321.371 2.451 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000944698972 649551892 /nfs/dbraw/zinc/55/18/92/649551892.db2.gz FUVUBCXQEKKYKZ-PBHICJAKSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000944700582 649552580 /nfs/dbraw/zinc/55/25/80/649552580.db2.gz KFMZCABLARMDPN-XJKSGUPXSA-N 0 3 304.821 2.342 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncnc2C(C)C)[C@H](C)C1 ZINC000944977186 649594487 /nfs/dbraw/zinc/59/44/87/649594487.db2.gz LUMOEJSGBHDCJX-ZBFHGGJFSA-N 0 3 314.433 2.064 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cn2ccc3ccccc32)[C@H](C)C1 ZINC000945005121 649597976 /nfs/dbraw/zinc/59/79/76/649597976.db2.gz AMRWHAGOKJMAPN-AEFFLSMTSA-N 0 3 323.440 2.491 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H](C)C1 ZINC000945220003 649630953 /nfs/dbraw/zinc/63/09/53/649630953.db2.gz FKPNBZLESGVHNY-RISCZKNCSA-N 0 3 305.447 2.223 20 30 DEEDHN C=C(C)[C@H](CO)N(C)C[C@@H](O)c1ccccc1Br ZINC000832679892 649735101 /nfs/dbraw/zinc/73/51/01/649735101.db2.gz LLCUWJKSGKFUEO-UONOGXRCSA-N 0 3 314.223 2.351 20 30 DEEDHN CON=CC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000844040910 651067820 /nfs/dbraw/zinc/06/78/20/651067820.db2.gz QCFJMRJVKHYACK-MRXNPFEDSA-N 0 3 303.406 2.130 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000845221173 651219174 /nfs/dbraw/zinc/21/91/74/651219174.db2.gz SFDWGYGFTLYYQT-LBPRGKRZSA-N 0 3 320.264 2.215 20 30 DEEDHN CCC(C#N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000845473808 651246684 /nfs/dbraw/zinc/24/66/84/651246684.db2.gz JQXNHUIFKDYAAT-CABCVRRESA-N 0 3 300.358 2.271 20 30 DEEDHN C=C[C@@H](C)ONC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000845627683 651263340 /nfs/dbraw/zinc/26/33/40/651263340.db2.gz IMLGPLZKBCFDQJ-GDBMZVCRSA-N 0 3 303.406 2.408 20 30 DEEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000845638180 651265231 /nfs/dbraw/zinc/26/52/31/651265231.db2.gz IXBDSDBRSZHUCT-ZDUSSCGKSA-N 0 3 309.385 2.405 20 30 DEEDHN Cc1cc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)ncc1C#N ZINC000847133454 651377161 /nfs/dbraw/zinc/37/71/61/651377161.db2.gz RCFVAHVEAKQDRC-INIZCTEOSA-N 0 3 304.369 2.413 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000854662876 651529315 /nfs/dbraw/zinc/52/93/15/651529315.db2.gz PBMTTYJCRVVBSX-GOSISDBHSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCC(C)(C)CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849597158 651688820 /nfs/dbraw/zinc/68/88/20/651688820.db2.gz QITYJQRWRKHIEL-HZPDHXFCSA-N 0 3 318.465 2.174 20 30 DEEDHN N#Cc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1F ZINC000850348925 651906898 /nfs/dbraw/zinc/90/68/98/651906898.db2.gz AOPKPNHGHBMPOO-FQEVSTJZSA-N 0 3 308.300 2.098 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1ccc(C)n1 ZINC000850753465 651980188 /nfs/dbraw/zinc/98/01/88/651980188.db2.gz FACWGNYCDUNOQZ-KBPBESRZSA-N 0 3 304.394 2.158 20 30 DEEDHN C=CCN(C(=O)NC[C@@H]1NCCc2ccccc21)[C@@H](C)COC ZINC000851667331 652202648 /nfs/dbraw/zinc/20/26/48/652202648.db2.gz NNXKNPQOOFZVDH-YOEHRIQHSA-N 0 3 317.433 2.106 20 30 DEEDHN CCOC(=O)N[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000851728919 652217880 /nfs/dbraw/zinc/21/78/80/652217880.db2.gz FPMVBEXRWFCPGN-MRXNPFEDSA-N 0 3 301.390 2.311 20 30 DEEDHN Cc1ccc(O[C@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)nc1 ZINC000858038245 652241625 /nfs/dbraw/zinc/24/16/25/652241625.db2.gz ZDGKNAWYLGQSOB-ROUUACIJSA-N 0 3 323.396 2.448 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(C)nc1Br ZINC000858161067 652269002 /nfs/dbraw/zinc/26/90/02/652269002.db2.gz AOTMESKVUVGJMA-CMPLNLGQSA-N 0 3 314.227 2.253 20 30 DEEDHN C#CCOCCN[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000851899607 652274102 /nfs/dbraw/zinc/27/41/02/652274102.db2.gz ARQNFGCFCFUEKX-AWEZNQCLSA-N 0 3 320.408 2.087 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000852098838 652338153 /nfs/dbraw/zinc/33/81/53/652338153.db2.gz XLONPEJEYFRVRI-SCLBCKFNSA-N 0 3 318.417 2.273 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1ccccc1COCC ZINC000852100733 652338494 /nfs/dbraw/zinc/33/84/94/652338494.db2.gz AESUEFMASWVHAZ-SFHVURJKSA-N 0 3 302.418 2.231 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(Cl)c1 ZINC000852102861 652339780 /nfs/dbraw/zinc/33/97/80/652339780.db2.gz RTUJWEMOWHXJBK-MRXNPFEDSA-N 0 3 308.809 2.227 20 30 DEEDHN C#CCNC(=O)CCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852127815 652347854 /nfs/dbraw/zinc/34/78/54/652347854.db2.gz WSHGFZAKXKNYPB-NSHDSACASA-N 0 3 318.808 2.349 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000852358624 652391300 /nfs/dbraw/zinc/39/13/00/652391300.db2.gz WIEOKDBMWFQYRK-MRXNPFEDSA-N 0 3 303.381 2.237 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)Cc2cscn2)c1 ZINC000853118730 652505753 /nfs/dbraw/zinc/50/57/53/652505753.db2.gz OGSXIVCBQIGFQO-CQSZACIVSA-N 0 3 313.382 2.019 20 30 DEEDHN Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)cc(C#N)c1[N+](=O)[O-] ZINC000853242913 652528688 /nfs/dbraw/zinc/52/86/88/652528688.db2.gz ZMMZSOGFTHBUPF-HUUCEWRRSA-N 0 3 316.361 2.050 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@H](F)C2)CCOCC1 ZINC001393716610 1157922726 /nfs/dbraw/zinc/92/27/26/1157922726.db2.gz RVKMHODISZHBAN-STQMWFEESA-N 0 3 318.820 2.132 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(CCC)C(=O)[C@H](CC)N(C)C)C1 ZINC001356695062 1152112842 /nfs/dbraw/zinc/11/28/42/1152112842.db2.gz DMPKYYCWXYETJK-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000858493611 685550842 /nfs/dbraw/zinc/55/08/42/685550842.db2.gz AMSYBRWXXNTTDY-QGZVFWFLSA-N 0 3 314.433 2.177 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116591904 684065387 /nfs/dbraw/zinc/06/53/87/684065387.db2.gz GYKGZKKGBXVBIV-IUODEOHRSA-N 0 3 320.364 2.181 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)C1(N(C)C)CCC1 ZINC000119566680 684083547 /nfs/dbraw/zinc/08/35/47/684083547.db2.gz YICXPNIJMLVJPO-UHFFFAOYSA-N 0 3 315.417 2.018 20 30 DEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000156482064 684289532 /nfs/dbraw/zinc/28/95/32/684289532.db2.gz FUZYOCOWESIUGI-CHWSQXEVSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)COC1CCCC1)C2 ZINC001054094097 693841790 /nfs/dbraw/zinc/84/17/90/693841790.db2.gz NCHXKNFNFJOXLI-IBGZPJMESA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)sn1)C2 ZINC001054122380 693853258 /nfs/dbraw/zinc/85/32/58/693853258.db2.gz ZUJITGJNUDRQQQ-INIZCTEOSA-N 0 3 303.431 2.013 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cncc3[nH]ccc31)C2 ZINC001054160129 693867145 /nfs/dbraw/zinc/86/71/45/693867145.db2.gz WLODIUBWEBINRS-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3n1)C2 ZINC001054164407 693867661 /nfs/dbraw/zinc/86/76/61/693867661.db2.gz IVFFCYFISJYUNA-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc3ncccc3o1)C2 ZINC001054165820 693868821 /nfs/dbraw/zinc/86/88/21/693868821.db2.gz PQRNOGKSZCWLRJ-LJQANCHMSA-N 0 3 323.396 2.389 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](OC)C1CCC1)C2 ZINC001054172108 693870036 /nfs/dbraw/zinc/87/00/36/693870036.db2.gz GXVWPFVDOIOOGX-PKOBYXMFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1conc1C1CC1)C2 ZINC001054195582 693877972 /nfs/dbraw/zinc/87/79/72/693877972.db2.gz NMAUSYRTXHHLFS-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cncc(Cl)c1)C2 ZINC001054214327 693884509 /nfs/dbraw/zinc/88/45/09/693884509.db2.gz WSVCUPVILFGSKD-KRWDZBQOSA-N 0 3 317.820 2.296 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1ccco1)C2 ZINC001054216836 693885242 /nfs/dbraw/zinc/88/52/42/693885242.db2.gz GJXFZXYDVLMPFW-SFHVURJKSA-N 0 3 300.402 2.160 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cnn(C)c3)cc2C1 ZINC001054254612 693902935 /nfs/dbraw/zinc/90/29/35/693902935.db2.gz AOZDGEKMDDMHSW-UHFFFAOYSA-N 0 3 310.401 2.242 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H]3CCOC3)cc2C1 ZINC001054258618 693904867 /nfs/dbraw/zinc/90/48/67/693904867.db2.gz VCYOGGDYLGOIRS-INIZCTEOSA-N 0 3 300.402 2.231 20 30 DEEDHN CN(C)[C@H](CNC(=O)C1(C#N)CCSCC1)c1ccccc1 ZINC000929264500 693927107 /nfs/dbraw/zinc/92/71/07/693927107.db2.gz OEFMHVYPDSXUDL-OAHLLOKOSA-N 0 3 317.458 2.442 20 30 DEEDHN COCCNC(=O)C(C#N)C(=O)CCCCc1ccc(C)cc1 ZINC000195286170 685094093 /nfs/dbraw/zinc/09/40/93/685094093.db2.gz DLHXYKFNJVIHCD-MRXNPFEDSA-N 0 3 316.401 2.179 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3cc(OC)ccc32)CC1 ZINC000859250231 685691097 /nfs/dbraw/zinc/69/10/97/685691097.db2.gz HYTGBQCJRVYKRO-GOSISDBHSA-N 0 3 314.429 2.492 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)Cn1nccc1C)c1ccccc1 ZINC000860694062 685952190 /nfs/dbraw/zinc/95/21/90/685952190.db2.gz KTINGYNTYVBESN-CVEARBPZSA-N 0 3 324.384 2.168 20 30 DEEDHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCc2ccc(C#N)cc2)C1 ZINC000861343996 686049373 /nfs/dbraw/zinc/04/93/73/686049373.db2.gz MGTVKFNBPQTTMP-AEFFLSMTSA-N 0 3 316.401 2.143 20 30 DEEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000862395922 686291036 /nfs/dbraw/zinc/29/10/36/686291036.db2.gz YCMFOVCMHWJBQJ-HZPDHXFCSA-N 0 3 318.465 2.174 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cncc(OCCC)c2)CC1 ZINC000862857630 686393344 /nfs/dbraw/zinc/39/33/44/686393344.db2.gz AFCTWHNBPZCOBO-UHFFFAOYSA-N 0 3 301.390 2.154 20 30 DEEDHN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054664732 694018925 /nfs/dbraw/zinc/01/89/25/694018925.db2.gz LGYNWRXJUPKCPX-BXUZGUMPSA-N 0 3 303.431 2.356 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H](NCc2ccccn2)[C@@H](C)C1 ZINC001054742151 694036966 /nfs/dbraw/zinc/03/69/66/694036966.db2.gz DHPBSAFGCPBACR-RDJZCZTQSA-N 0 3 324.428 2.319 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2ccc(OC)nc2)[C@@H](C)C1 ZINC001054976918 694087713 /nfs/dbraw/zinc/08/77/13/694087713.db2.gz QUXABBSJTXZUJN-ZFWWWQNUSA-N 0 3 317.433 2.239 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001015785847 687420838 /nfs/dbraw/zinc/42/08/38/687420838.db2.gz DPNXTFMVMISNKC-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001015890590 687456004 /nfs/dbraw/zinc/45/60/04/687456004.db2.gz AYDCWBNPPDOIRF-LLVKDONJSA-N 0 3 313.323 2.481 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001015938536 687472509 /nfs/dbraw/zinc/47/25/09/687472509.db2.gz LMFPCFXAHAXIQE-LLVKDONJSA-N 0 3 313.323 2.481 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C2CC2)C1 ZINC001015965045 687482788 /nfs/dbraw/zinc/48/27/88/687482788.db2.gz FMDDUWZGNRWNTB-OAHLLOKOSA-N 0 3 314.433 2.169 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncccc2OCC=C)C1 ZINC001015969144 687485389 /nfs/dbraw/zinc/48/53/89/687485389.db2.gz PYUKSVOOBVWDRI-CQSZACIVSA-N 0 3 301.390 2.027 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001016130338 687531399 /nfs/dbraw/zinc/53/13/99/687531399.db2.gz GQINUZFXDTUYNJ-NVXWUHKLSA-N 0 3 300.402 2.415 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccoc2CC)CC1 ZINC001016606595 687663134 /nfs/dbraw/zinc/66/31/34/687663134.db2.gz UOPFKPCTFHPNOE-MRXNPFEDSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC001016628363 687668520 /nfs/dbraw/zinc/66/85/20/687668520.db2.gz WTGIUGVWWSCOLX-JKSUJKDBSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC001016705908 687685848 /nfs/dbraw/zinc/68/58/48/687685848.db2.gz BIZKAPZDTLJSLA-MRXNPFEDSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)c(F)c2)CC1 ZINC001016715604 687688935 /nfs/dbraw/zinc/68/89/35/687688935.db2.gz NRBYTAJQROUGPC-MRXNPFEDSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(F)ccc2C)CC1 ZINC001016754214 687695894 /nfs/dbraw/zinc/69/58/94/687695894.db2.gz PLDGBVOAMLGMPF-MRXNPFEDSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC001016797971 687705618 /nfs/dbraw/zinc/70/56/18/687705618.db2.gz IERLBUVJMBJCFO-INIZCTEOSA-N 0 3 318.367 2.111 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(F)c(OC)c2)CC1 ZINC001016845807 687716929 /nfs/dbraw/zinc/71/69/29/687716929.db2.gz MMJTXZYXOOEHAG-MRXNPFEDSA-N 0 3 316.376 2.052 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2oc(C(C)C)nc2C)CC1 ZINC001016871157 687723320 /nfs/dbraw/zinc/72/33/20/687723320.db2.gz UKVYCFVFSLTQKX-AWEZNQCLSA-N 0 3 315.417 2.324 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(OC)cc2)CC1 ZINC001016944942 687739892 /nfs/dbraw/zinc/73/98/92/687739892.db2.gz VDOBOVKIAXCKLH-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2ccccc2Cl)CC1 ZINC001016961803 687744243 /nfs/dbraw/zinc/74/42/43/687744243.db2.gz UNRDOHPAYSOFRC-INIZCTEOSA-N 0 3 316.832 2.486 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2sc(C)nc2C)CC1 ZINC001016966014 687745149 /nfs/dbraw/zinc/74/51/49/687745149.db2.gz UGGZBYFQJPCVEG-CQSZACIVSA-N 0 3 317.458 2.368 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)Cc2ccc(F)cn2)C1 ZINC001017078133 687782867 /nfs/dbraw/zinc/78/28/67/687782867.db2.gz ROSOQFHOPPTFGL-KBPBESRZSA-N 0 3 318.396 2.051 20 30 DEEDHN C#CCCCS(=O)(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000867795153 687792187 /nfs/dbraw/zinc/79/21/87/687792187.db2.gz TYUJQYLCABSCHY-INIZCTEOSA-N 0 3 312.479 2.116 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccn1 ZINC001017376539 687877222 /nfs/dbraw/zinc/87/72/22/687877222.db2.gz VZURESIZPISQKL-OAGGEKHMSA-N 0 3 302.422 2.086 20 30 DEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cncc(C#N)c1 ZINC000930372908 694148730 /nfs/dbraw/zinc/14/87/30/694148730.db2.gz SFCUJMAPBRIZPQ-KSSFIOAISA-N 0 3 323.396 2.463 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001017585077 687918244 /nfs/dbraw/zinc/91/82/44/687918244.db2.gz VRPFZIBWQPZZKQ-OIISXLGYSA-N 0 3 316.449 2.079 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CN(C)C ZINC001017857461 687972880 /nfs/dbraw/zinc/97/28/80/687972880.db2.gz MTEIGZGQLSCYPD-IYBDPMFKSA-N 0 3 317.433 2.206 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)c3ccoc3)C2)ccc1F ZINC001018500909 688161103 /nfs/dbraw/zinc/16/11/03/688161103.db2.gz MUYSSEIWWATHPA-HNNXBMFYSA-N 0 3 313.332 2.295 20 30 DEEDHN C[C@@H](C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC001018673257 688202634 /nfs/dbraw/zinc/20/26/34/688202634.db2.gz MLUUXFPURSWWFQ-WBMJQRKESA-N 0 3 315.392 2.434 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018863071 688244194 /nfs/dbraw/zinc/24/41/94/688244194.db2.gz MSVALQXJBMHRKY-XHSDSOJGSA-N 0 3 320.458 2.420 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3cncc(C)c3)C2)cc1 ZINC001019223103 688302843 /nfs/dbraw/zinc/30/28/43/688302843.db2.gz GJKKNJLKXQPDIR-IBGZPJMESA-N 0 3 319.408 2.376 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001019408598 688348672 /nfs/dbraw/zinc/34/86/72/688348672.db2.gz KPVULUYHZHCWDN-VNQPRFMTSA-N 0 3 315.392 2.434 20 30 DEEDHN CC(C)(F)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001019928232 688421809 /nfs/dbraw/zinc/42/18/09/688421809.db2.gz ADKKOUMVGNVNJM-JOCQHMNTSA-N 0 3 307.344 2.182 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001020153587 688474879 /nfs/dbraw/zinc/47/48/79/688474879.db2.gz PGZOLCOBSBREAE-HDJSIYSDSA-N 0 3 318.808 2.246 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001020152614 688475100 /nfs/dbraw/zinc/47/51/00/688475100.db2.gz UHRKASHIIXKKKM-HAQNSBGRSA-N 0 3 310.829 2.211 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001020228679 688488387 /nfs/dbraw/zinc/48/83/87/688488387.db2.gz CSAWLWGNVBMJLP-JOCQHMNTSA-N 0 3 321.808 2.268 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001020282003 688495342 /nfs/dbraw/zinc/49/53/42/688495342.db2.gz AEALQVIWIHMNMJ-JOCQHMNTSA-N 0 3 322.840 2.212 20 30 DEEDHN C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)C(C#N)c1ccncn1 ZINC000870287818 688531805 /nfs/dbraw/zinc/53/18/05/688531805.db2.gz LZYZMPXFXKOPBI-GDLVEWKHSA-N 0 3 301.346 2.021 20 30 DEEDHN CC1CCN(CCNC(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871719841 688850250 /nfs/dbraw/zinc/85/02/50/688850250.db2.gz NZAGYXXWBJATSE-UHFFFAOYSA-N 0 3 301.394 2.001 20 30 DEEDHN C[C@H]1OCC[C@@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000871722377 688850887 /nfs/dbraw/zinc/85/08/87/688850887.db2.gz CLNFQGXZPAYSEJ-GDBMZVCRSA-N 0 3 304.390 2.299 20 30 DEEDHN N#Cc1cc(C(=O)NCC2CN([C@@H]3CCc4ccccc43)C2)c[nH]1 ZINC001031622810 688966449 /nfs/dbraw/zinc/96/64/49/688966449.db2.gz IQHLENVHMRASOF-GOSISDBHSA-N 0 3 320.396 2.235 20 30 DEEDHN Cc1nn(C)c2nc(Cl)cc(N=NC3CCN(C)[C@H]3C)c12 ZINC000872422239 688997755 /nfs/dbraw/zinc/99/77/55/688997755.db2.gz JWYMFGUVULLDCU-VIFPVBQESA-N 0 3 306.801 2.422 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cnc(CC3CC3)s2)C1 ZINC001031871671 689011750 /nfs/dbraw/zinc/01/17/50/689011750.db2.gz KWXYLMARBUFQBP-UHFFFAOYSA-N 0 3 305.447 2.333 20 30 DEEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C[C@H](O)CC#N ZINC000930848901 694254414 /nfs/dbraw/zinc/25/44/14/694254414.db2.gz LWIRHIMZDRQFBR-BVIKNXMNSA-N 0 3 301.434 2.244 20 30 DEEDHN C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000872671356 689061656 /nfs/dbraw/zinc/06/16/56/689061656.db2.gz SKCUBPDSTODBLW-KOMQPUFPSA-N 0 3 320.458 2.219 20 30 DEEDHN N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)c[nH]1 ZINC001032364964 689131264 /nfs/dbraw/zinc/13/12/64/689131264.db2.gz YLULDOHRWJQILL-IRXDYDNUSA-N 0 3 324.428 2.365 20 30 DEEDHN CCOC(=O)N1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000873010563 689140080 /nfs/dbraw/zinc/14/00/80/689140080.db2.gz JZHVGMIVTSRWRL-UHFFFAOYSA-N 0 3 305.353 2.408 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2cn[nH]c21 ZINC001032406427 689141949 /nfs/dbraw/zinc/14/19/49/689141949.db2.gz ZGQNQSIMLWWBCU-JYJNAYRXSA-N 0 3 314.433 2.081 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nccn21 ZINC001032445079 689153643 /nfs/dbraw/zinc/15/36/43/689153643.db2.gz UTVVPUWZAFTAHV-JYJNAYRXSA-N 0 3 314.433 2.012 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCOCC1 ZINC001032704133 689230911 /nfs/dbraw/zinc/23/09/11/689230911.db2.gz FZIBVWSTAPSZDQ-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1N(C)C ZINC001032779907 689257750 /nfs/dbraw/zinc/25/77/50/689257750.db2.gz OTNDPKXDNZXITC-GJZGRUSLSA-N 0 3 314.433 2.013 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)c2sccc2CN(C)C)C1 ZINC001033114416 689393516 /nfs/dbraw/zinc/39/35/16/689393516.db2.gz DCTPMJJFXJXSCI-AWEZNQCLSA-N 0 3 307.463 2.142 20 30 DEEDHN N#Cc1ccc(OC2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000874359839 689394310 /nfs/dbraw/zinc/39/43/10/689394310.db2.gz RTLZWTOSBVIGEQ-UHFFFAOYSA-N 0 3 313.401 2.024 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(F)cc2F)C1 ZINC001033187276 689417632 /nfs/dbraw/zinc/41/76/32/689417632.db2.gz RGLAAWLGGOKNOQ-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033193753 689420141 /nfs/dbraw/zinc/42/01/41/689420141.db2.gz VPLZUBVRLCXMQB-KRWDZBQOSA-N 0 3 309.413 2.496 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC001033239348 689435428 /nfs/dbraw/zinc/43/54/28/689435428.db2.gz CGKKYOZXKLHWIG-SFHVURJKSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033241616 689435438 /nfs/dbraw/zinc/43/54/38/689435438.db2.gz YMFOPDOEMXICBU-GFCCVEGCSA-N 0 3 308.451 2.213 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3c2CCOC3)C1 ZINC001033256520 689440789 /nfs/dbraw/zinc/44/07/89/689440789.db2.gz WJFDPPYZAONIPH-MRXNPFEDSA-N 0 3 314.429 2.482 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033316090 689459813 /nfs/dbraw/zinc/45/98/13/689459813.db2.gz UCBKMYHENGVWSB-KRWDZBQOSA-N 0 3 309.413 2.496 20 30 DEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000874824178 689499838 /nfs/dbraw/zinc/49/98/38/689499838.db2.gz DLOJBKYYLDKGJL-XWTMOSNGSA-N 0 3 309.413 2.357 20 30 DEEDHN CC#CCN1CC[C@H](N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001033463033 689508707 /nfs/dbraw/zinc/50/87/07/689508707.db2.gz GSXYXNNGKZPMHX-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c[nH]c(-c3ccccc3)n2)C1 ZINC001033463232 689509201 /nfs/dbraw/zinc/50/92/01/689509201.db2.gz JAKSZPDJYAQTKP-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001033474276 689514519 /nfs/dbraw/zinc/51/45/19/689514519.db2.gz LULMAWPUZTYNQU-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033485958 689519577 /nfs/dbraw/zinc/51/95/77/689519577.db2.gz GSOWMOBUVBQOHR-LBPRGKRZSA-N 0 3 309.435 2.012 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccccc2COC)C1 ZINC001033499442 689522369 /nfs/dbraw/zinc/52/23/69/689522369.db2.gz KRVIDPPRPWZDAU-QGZVFWFLSA-N 0 3 302.418 2.094 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)nn(CC)c2C)C1 ZINC001033505816 689524273 /nfs/dbraw/zinc/52/42/73/689524273.db2.gz PYERVCRBEQAGKG-OAHLLOKOSA-N 0 3 304.438 2.242 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001033509053 689524846 /nfs/dbraw/zinc/52/48/46/689524846.db2.gz GUXWDHPQMURHBZ-AEFFLSMTSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3cccnc3c2)C1 ZINC001033510166 689526024 /nfs/dbraw/zinc/52/60/24/689526024.db2.gz WNIMPBMZUAHKLH-QGZVFWFLSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001033627184 689564649 /nfs/dbraw/zinc/56/46/49/689564649.db2.gz JHUCSVAXNNVLPD-HNNXBMFYSA-N 0 3 315.417 2.129 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001033686216 689583774 /nfs/dbraw/zinc/58/37/74/689583774.db2.gz BMQFWJUSPYJJCP-IRXDYDNUSA-N 0 3 301.434 2.222 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001033696561 689587542 /nfs/dbraw/zinc/58/75/42/689587542.db2.gz VTFTZPWMRDQBGP-JKSUJKDBSA-N 0 3 304.438 2.170 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001033883516 689650139 /nfs/dbraw/zinc/65/01/39/689650139.db2.gz ZFEOVPLAZUTEOF-MRXNPFEDSA-N 0 3 316.449 2.198 20 30 DEEDHN C#CC[C@H](COC)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000875576404 689652915 /nfs/dbraw/zinc/65/29/15/689652915.db2.gz XACSHAUWEQBHQT-RBSFLKMASA-N 0 3 321.421 2.046 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnc3n2CCCC3)C1 ZINC001033935502 689667221 /nfs/dbraw/zinc/66/72/21/689667221.db2.gz GGFONVWTCXRIEQ-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001033950766 689672006 /nfs/dbraw/zinc/67/20/06/689672006.db2.gz WZVIQNIGKYQELK-GJZGRUSLSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnn3c2CCCC3)C1 ZINC001034019626 689695462 /nfs/dbraw/zinc/69/54/62/689695462.db2.gz VDSNJOFSOSPROA-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000931062386 694307662 /nfs/dbraw/zinc/30/76/62/694307662.db2.gz QDOSKYNFLUODIA-INIZCTEOSA-N 0 3 314.433 2.363 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000875831230 689701565 /nfs/dbraw/zinc/70/15/65/689701565.db2.gz DBCIFRIYWDWQJS-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034057609 689708732 /nfs/dbraw/zinc/70/87/32/689708732.db2.gz WUQCTBIITDAVSP-INIZCTEOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001034211882 689764299 /nfs/dbraw/zinc/76/42/99/689764299.db2.gz PMCVDRZEHBLKDH-GJZGRUSLSA-N 0 3 316.449 2.376 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001034271087 689788768 /nfs/dbraw/zinc/78/87/68/689788768.db2.gz LAPPONUYQVRQOM-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001034283014 689794148 /nfs/dbraw/zinc/79/41/48/689794148.db2.gz UATTWSXTWNIOHE-INIZCTEOSA-N 0 3 316.449 2.246 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001034306894 689803828 /nfs/dbraw/zinc/80/38/28/689803828.db2.gz HMKFHPCSJQAHSO-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC001034366925 689824461 /nfs/dbraw/zinc/82/44/61/689824461.db2.gz LAQQUJIQFJKUJU-CQSZACIVSA-N 0 3 305.397 2.310 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034383760 689830281 /nfs/dbraw/zinc/83/02/81/689830281.db2.gz ADZUXLKCWJTFFS-MRXNPFEDSA-N 0 3 316.449 2.210 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001034396113 689834486 /nfs/dbraw/zinc/83/44/86/689834486.db2.gz CJSLBUDULFPBOK-HIFRSBDPSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC001034443534 689851628 /nfs/dbraw/zinc/85/16/28/689851628.db2.gz HRQASQRIJCOATR-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCCCN(CC#N)C1 ZINC001034479959 689866071 /nfs/dbraw/zinc/86/60/71/689866071.db2.gz CWMCCMWWBVZFCM-DLBZAZTESA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001034485666 689869893 /nfs/dbraw/zinc/86/98/93/689869893.db2.gz SNFDQIWKAJMASV-HNNXBMFYSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034501269 689875580 /nfs/dbraw/zinc/87/55/80/689875580.db2.gz SHBISFYYOUMLIH-IAGOWNOFSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000876614560 689877173 /nfs/dbraw/zinc/87/71/73/689877173.db2.gz NXVCUYROSAZFLR-HNNXBMFYSA-N 0 3 318.808 2.018 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034519223 689882746 /nfs/dbraw/zinc/88/27/46/689882746.db2.gz BORIZOSUOXPWGW-AWEZNQCLSA-N 0 3 305.447 2.368 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001034532226 689888407 /nfs/dbraw/zinc/88/84/07/689888407.db2.gz MEGHVXNHCGDEQF-HOCLYGCPSA-N 0 3 318.392 2.286 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cncnc2CC)C1 ZINC001034536855 689890044 /nfs/dbraw/zinc/89/00/44/689890044.db2.gz XRFPDZOATZXOBV-AWEZNQCLSA-N 0 3 302.422 2.199 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000876676387 689898274 /nfs/dbraw/zinc/89/82/74/689898274.db2.gz XRGVQYCPJFPLIK-ZIAGYGMSSA-N 0 3 310.781 2.263 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000876683926 689901649 /nfs/dbraw/zinc/90/16/49/689901649.db2.gz ZLIQBAGXSQJEDG-MFKMUULPSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCN(CC)c1ccccc1 ZINC000876712990 689912253 /nfs/dbraw/zinc/91/22/53/689912253.db2.gz WBWVVXSERDVLDE-HNNXBMFYSA-N 0 3 309.841 2.489 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000876722294 689915249 /nfs/dbraw/zinc/91/52/49/689915249.db2.gz ZCDTXOBBBNEXKY-AWEZNQCLSA-N 0 3 322.840 2.158 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000876750986 689927087 /nfs/dbraw/zinc/92/70/87/689927087.db2.gz ZHYUJRCIBOBEGK-JTQLQIEISA-N 0 3 313.854 2.151 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cn(C)c2ccccc12 ZINC000876967012 689985410 /nfs/dbraw/zinc/98/54/10/689985410.db2.gz AQMWVOPENSNXHY-CQSZACIVSA-N 0 3 305.809 2.307 20 30 DEEDHN COC(=O)c1[nH]c(CNCc2ccc(OCC#N)cc2)cc1C ZINC000877024040 690000567 /nfs/dbraw/zinc/00/05/67/690000567.db2.gz ORSSOFNIFYLXAB-UHFFFAOYSA-N 0 3 313.357 2.302 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877044593 690006326 /nfs/dbraw/zinc/00/63/26/690006326.db2.gz CWHQBBOGFLUOQB-TZMCWYRMSA-N 0 3 320.824 2.343 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccnc(OC)c1 ZINC001035014609 690010404 /nfs/dbraw/zinc/01/04/04/690010404.db2.gz OAUIJRAZWVQLFS-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2OC)C1 ZINC000877252478 690057074 /nfs/dbraw/zinc/05/70/74/690057074.db2.gz PVQWEDXFCYULRT-HIFRSBDPSA-N 0 3 324.808 2.065 20 30 DEEDHN N#Cc1cccc([C@@H](NC(=O)[C@H](N)CC(F)F)C(F)(F)F)c1 ZINC000877291395 690067825 /nfs/dbraw/zinc/06/78/25/690067825.db2.gz HISLGBJWOITIJV-MWLCHTKSSA-N 0 3 321.249 2.260 20 30 DEEDHN CC(C)c1cc([C@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)[nH]n1 ZINC000877297046 690069046 /nfs/dbraw/zinc/06/90/46/690069046.db2.gz GLGJHLGVLTYPAZ-UONOGXRCSA-N 0 3 317.437 2.260 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccnn1C(F)F)CC2 ZINC001035714445 690158749 /nfs/dbraw/zinc/15/87/49/690158749.db2.gz 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COc1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886280938 692043521 /nfs/dbraw/zinc/04/35/21/692043521.db2.gz OJSSJYOCGXTSFX-INIZCTEOSA-N 0 3 300.402 2.498 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cscn1)C2 ZINC001045917663 692049952 /nfs/dbraw/zinc/04/99/52/692049952.db2.gz GLYCOMAMENDQMG-INIZCTEOSA-N 0 3 303.431 2.095 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000886310302 692051897 /nfs/dbraw/zinc/05/18/97/692051897.db2.gz ITAAHTYMUXZEDW-QAPCUYQASA-N 0 3 315.392 2.246 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)SC)C2 ZINC001045931498 692054788 /nfs/dbraw/zinc/05/47/88/692054788.db2.gz JIPHHCVRPOFWBD-WBVHZDCISA-N 0 3 308.491 2.466 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C)sn1)C2 ZINC001045933966 692056263 /nfs/dbraw/zinc/05/62/63/692056263.db2.gz LZKHJVZDOCMJEW-QGZVFWFLSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1CC(OC)C1)C2 ZINC001045946320 692059936 /nfs/dbraw/zinc/05/99/36/692059936.db2.gz OHLVDXPDMKCEMB-TVPLGVNVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000886355441 692063808 /nfs/dbraw/zinc/06/38/08/692063808.db2.gz IUFVTLPMRSKYRZ-IAGOWNOFSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000886361529 692066889 /nfs/dbraw/zinc/06/68/89/692066889.db2.gz KYWLUVWJMZJIJM-QWHCGFSZSA-N 0 3 302.340 2.133 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(C)CCOCC1)C2 ZINC001045975200 692066883 /nfs/dbraw/zinc/06/68/83/692066883.db2.gz XHKMPRANVIJRNK-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C3CCC=CCC3)CC2)C1 ZINC001046084188 692081727 /nfs/dbraw/zinc/08/17/27/692081727.db2.gz LUMLVSXEEZOZMA-SFHVURJKSA-N 0 3 317.477 2.137 20 30 DEEDHN C#CCN(C(=O)CC[C@H]1CC(C)(C)CO1)C1CCN(C)CC1 ZINC000886572190 692113133 /nfs/dbraw/zinc/11/31/33/692113133.db2.gz BQMYXEVNRIZWCA-INIZCTEOSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCC2(CCC2)CO1)C1CCN(C)CC1 ZINC000886572257 692113559 /nfs/dbraw/zinc/11/35/59/692113559.db2.gz FAJWXBBBPOGXPH-KRWDZBQOSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN(C(=O)c1nnc(C(C)(C)C)s1)C1CCN(C)CC1 ZINC000886577540 692114880 /nfs/dbraw/zinc/11/48/80/692114880.db2.gz MECKEPZMETUMMQ-UHFFFAOYSA-N 0 3 320.462 2.005 20 30 DEEDHN C#CCN(C(=O)c1ccn(C(CC)CC)n1)C1CCN(C)CC1 ZINC000886579629 692116508 /nfs/dbraw/zinc/11/65/08/692116508.db2.gz BVCVYJZZIZZTIN-UHFFFAOYSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN(C(=O)CNc1ccccc1Cl)C1CCN(C)CC1 ZINC000886582208 692117727 /nfs/dbraw/zinc/11/77/27/692117727.db2.gz JYHWOEXOUNJMPG-UHFFFAOYSA-N 0 3 319.836 2.308 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001046311015 692148642 /nfs/dbraw/zinc/14/86/42/692148642.db2.gz FTNKMFJJFWAOIG-KRWDZBQOSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2nccc3cccnc32)C1 ZINC001046387356 692174166 /nfs/dbraw/zinc/17/41/66/692174166.db2.gz NRQMUUGXQLQBIJ-GOSISDBHSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@]2(C)CCN(CCOC)C2)cc1 ZINC001046428868 692184947 /nfs/dbraw/zinc/18/49/47/692184947.db2.gz NWUKAKKRAAUAPJ-GOSISDBHSA-N 0 3 318.417 2.092 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001046467662 692196004 /nfs/dbraw/zinc/19/60/04/692196004.db2.gz JGYTUWAEZANBPA-CRAIPNDOSA-N 0 3 300.402 2.004 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886837115 692205588 /nfs/dbraw/zinc/20/55/88/692205588.db2.gz BFMFMAKXACMLSM-OAGGEKHMSA-N 0 3 319.449 2.218 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001046686448 692260884 /nfs/dbraw/zinc/26/08/84/692260884.db2.gz MRMRESZPHBONJZ-BEFAXECRSA-N 0 3 314.429 2.492 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001046748949 692284107 /nfs/dbraw/zinc/28/41/07/692284107.db2.gz CJVMLNTWFTZCNG-INIZCTEOSA-N 0 3 301.415 2.447 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(OC)c2OC)C1 ZINC001046797109 692299826 /nfs/dbraw/zinc/29/98/26/692299826.db2.gz SUEYJTLLICOIBU-SFHVURJKSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001046913793 692330680 /nfs/dbraw/zinc/33/06/80/692330680.db2.gz DPLZYVDKJMAOBT-HUUCEWRRSA-N 0 3 310.388 2.439 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2cncs2)C1 ZINC001046925954 692334967 /nfs/dbraw/zinc/33/49/67/692334967.db2.gz PYIGVXVLQCZTIR-LLVKDONJSA-N 0 3 315.389 2.406 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001046980814 692347791 /nfs/dbraw/zinc/34/77/91/692347791.db2.gz QOCLAEMJKZCESV-QLFBSQMISA-N 0 3 310.388 2.129 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)[C@H](CC)OC)C2)CC1 ZINC001047231772 692399205 /nfs/dbraw/zinc/39/92/05/692399205.db2.gz PNKHIVCKAQYZAX-ROUUACIJSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](OC)C(C)C)C2)CC1 ZINC001047252743 692402451 /nfs/dbraw/zinc/40/24/51/692402451.db2.gz INDLKOOLPBFGMQ-ZWKOTPCHSA-N 0 3 320.477 2.241 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001047380323 692418024 /nfs/dbraw/zinc/41/80/24/692418024.db2.gz 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ZINC000932041507 694534619 /nfs/dbraw/zinc/53/46/19/694534619.db2.gz GBDMGYJEUQAFOA-INIZCTEOSA-N 0 3 303.402 2.367 20 30 DEEDHN C[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1CNCc1ccccc1C#N ZINC001048113085 692557229 /nfs/dbraw/zinc/55/72/29/692557229.db2.gz MDKONSXVCZMHSZ-XJKSGUPXSA-N 0 3 317.408 2.490 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1CNCc1ccccc1C#N ZINC001048333712 692599606 /nfs/dbraw/zinc/59/96/06/692599606.db2.gz MGDZHKBGSPZTCJ-CZUORRHYSA-N 0 3 324.384 2.044 20 30 DEEDHN CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)s1 ZINC001048493970 692629906 /nfs/dbraw/zinc/62/99/06/692629906.db2.gz QQPFXXWHPFOEBR-BTTYYORXSA-N 0 3 303.431 2.499 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)C[C@@H]2C1 ZINC001048927168 692724276 /nfs/dbraw/zinc/72/42/76/692724276.db2.gz GULOEHAXLFSQFB-YVSFHVDLSA-N 0 3 300.446 2.248 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C[C@@H]2C1 ZINC001048954392 692730758 /nfs/dbraw/zinc/73/07/58/692730758.db2.gz PCPPVRFIRCBOKE-WCIQWLHISA-N 0 3 322.452 2.279 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C(F)F)CCCC3)C[C@@H]2C1 ZINC001049005385 692741764 /nfs/dbraw/zinc/74/17/64/692741764.db2.gz YCIOVAWDNYICSE-OKILXGFUSA-N 0 3 310.388 2.225 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nn(CC)cc2Cl)CC1 ZINC000889606526 692745914 /nfs/dbraw/zinc/74/59/14/692745914.db2.gz JKWMDRSSKGNLQJ-UHFFFAOYSA-N 0 3 311.817 2.328 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3F)C[C@@H]2C1 ZINC001049029618 692746815 /nfs/dbraw/zinc/74/68/15/692746815.db2.gz DFEOTJONZOHKRB-PHIMTYICSA-N 0 3 324.758 2.255 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccccc3OC3CCC3)C[C@@H]2C1 ZINC001049047645 692751379 /nfs/dbraw/zinc/75/13/79/692751379.db2.gz OFLBAHUWVYENDQ-IYBDPMFKSA-N 0 3 324.424 2.255 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C(C)C)cn3)C[C@@H]2C1 ZINC001049059303 692754359 /nfs/dbraw/zinc/75/43/59/692754359.db2.gz QGECKMNWPSKFNC-CALCHBBNSA-N 0 3 311.429 2.232 20 30 DEEDHN C=C1CCC(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CC1 ZINC000889711020 692769296 /nfs/dbraw/zinc/76/92/96/692769296.db2.gz OHYRSCVVMZUTLI-UHFFFAOYSA-N 0 3 303.406 2.095 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(F)c(F)cc3Cl)C[C@@H]2C1 ZINC001049199219 692787258 /nfs/dbraw/zinc/78/72/58/692787258.db2.gz WMZIQYJTDBDEEF-PHIMTYICSA-N 0 3 324.758 2.255 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCc3ccccc3Cl)C[C@@H]2C1 ZINC001049205759 692789856 /nfs/dbraw/zinc/78/98/56/692789856.db2.gz GBEGGMSGCVRRDH-IYBDPMFKSA-N 0 3 316.832 2.296 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnnc(C)c1 ZINC001049439462 692883499 /nfs/dbraw/zinc/88/34/99/692883499.db2.gz APFSPNAHPDYRJO-JKSUJKDBSA-N 0 3 300.406 2.040 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccn1CC ZINC001049440370 692883819 /nfs/dbraw/zinc/88/38/19/692883819.db2.gz DZBOHCYUOFWWJW-HUUCEWRRSA-N 0 3 302.422 2.158 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnn(C2CCC2)c1 ZINC001049471338 692892214 /nfs/dbraw/zinc/89/22/14/692892214.db2.gz ZDONNNVOBCQRRC-SJORKVTESA-N 0 3 314.433 2.473 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(Cl)cnn1C ZINC001049476056 692893852 /nfs/dbraw/zinc/89/38/52/692893852.db2.gz BRRYESVZGRDECX-ZIAGYGMSSA-N 0 3 322.840 2.329 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)nc1C1CC1 ZINC001049498131 692902939 /nfs/dbraw/zinc/90/29/39/692902939.db2.gz MAWBKYOHBWCKBF-HZPDHXFCSA-N 0 3 314.433 2.162 20 30 DEEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1scnc1CC ZINC001049509557 692904266 /nfs/dbraw/zinc/90/42/66/692904266.db2.gz VXVBWQBHQBJNEG-HUUCEWRRSA-N 0 3 317.458 2.408 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc(C)cc1OC ZINC001049524594 692912123 /nfs/dbraw/zinc/91/21/23/692912123.db2.gz SUWCWJRPZMTZMB-LSDHHAIUSA-N 0 3 315.417 2.264 20 30 DEEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc(C2CC2)o1 ZINC001049528003 692913025 /nfs/dbraw/zinc/91/30/25/692913025.db2.gz YZNSNUNBTOEQNE-HUUCEWRRSA-N 0 3 313.401 2.254 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccccc1CC ZINC001049552725 692919354 /nfs/dbraw/zinc/91/93/54/692919354.db2.gz 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ZINC001380012908 1152730742 /nfs/dbraw/zinc/73/07/42/1152730742.db2.gz NTGBSXINJXCIGW-HUUCEWRRSA-N 0 3 313.873 2.194 20 30 DEEDHN C[C@H](CNC(=O)[C@H](C)C1CC1)NCc1ccc(C#N)c(F)c1 ZINC001402862380 1162503329 /nfs/dbraw/zinc/50/33/29/1162503329.db2.gz HNKOAQGNXHEPHK-VXGBXAGGSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ncc3n2CCCC3)C1 ZINC001381343835 1153011981 /nfs/dbraw/zinc/01/19/81/1153011981.db2.gz UMHIAPQUIBUYDJ-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C#N)N(C)CCOc1cccc(Cl)c1 ZINC001381507611 1153102204 /nfs/dbraw/zinc/10/22/04/1153102204.db2.gz HDUOVCFZMIKIKX-QWHCGFSZSA-N 0 3 323.824 2.315 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)CCN1 ZINC001363099026 1153219778 /nfs/dbraw/zinc/21/97/78/1153219778.db2.gz FEROYBIDBRKNLZ-HNNXBMFYSA-N 0 3 303.431 2.372 20 30 DEEDHN N#CC1(C[C@@H](O)CN2CCC[C@H](c3ccncn3)C2)CCC1 ZINC001363202562 1153266230 /nfs/dbraw/zinc/26/62/30/1153266230.db2.gz WYVHHRNPPKEVME-LSDHHAIUSA-N 0 3 300.406 2.101 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001381972169 1153297416 /nfs/dbraw/zinc/29/74/16/1153297416.db2.gz ZKZVBIGNCJERDR-KBUPBQIOSA-N 0 3 314.857 2.429 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001382081791 1153350185 /nfs/dbraw/zinc/35/01/85/1153350185.db2.gz WUKXQAQJTQAFSU-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2C#N)N(C)C)cc1 ZINC001363373925 1153368524 /nfs/dbraw/zinc/36/85/24/1153368524.db2.gz JPYFXMHAPQULHJ-DJIMGWMZSA-N 0 3 315.417 2.352 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccncc2)C1 ZINC001382581297 1153475327 /nfs/dbraw/zinc/47/53/27/1153475327.db2.gz WLACMQGBOREPHM-UHFFFAOYSA-N 0 3 307.825 2.346 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H](C)n2ccnc2)C1 ZINC001382585748 1153476157 /nfs/dbraw/zinc/47/61/57/1153476157.db2.gz KKVAOHKMSTUYTE-HSBZDZAISA-N 0 3 310.829 2.166 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ccoc1Cl ZINC001569114243 1153712972 /nfs/dbraw/zinc/71/29/72/1153712972.db2.gz FGFZEINLKLSGOO-NSHDSACASA-N 0 3 300.786 2.186 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001389675868 1155393609 /nfs/dbraw/zinc/39/36/09/1155393609.db2.gz NWMFJBWALCIDSP-TZMCWYRMSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CC[C@@H](C)O2)C1 ZINC001389910369 1155468978 /nfs/dbraw/zinc/46/89/78/1155468978.db2.gz VRHXTJXTWOSERD-SYQHCUMBSA-N 0 3 300.830 2.323 20 30 DEEDHN C[C@H](CNC(=O)CCc1ccoc1)NCc1ccc(C#N)s1 ZINC001390332710 1155656706 /nfs/dbraw/zinc/65/67/06/1155656706.db2.gz UGNOCTRDJGGDSX-GFCCVEGCSA-N 0 3 317.414 2.440 20 30 DEEDHN C[C@H](CNC(=O)c1ccncc1F)NCc1ccc(C#N)s1 ZINC001371152831 1155741855 /nfs/dbraw/zinc/74/18/55/1155741855.db2.gz QNFDALNMYNMAPI-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C#N)N(C)CCOC1CCCCCC1 ZINC001403111392 1162730369 /nfs/dbraw/zinc/73/03/69/1162730369.db2.gz DTCMNUWFENBNTF-LSDHHAIUSA-N 0 3 309.454 2.322 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)CCC(F)F ZINC001390683613 1155837227 /nfs/dbraw/zinc/83/72/27/1155837227.db2.gz VXMFPEQPUVVCJU-SECBINFHSA-N 0 3 313.186 2.425 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CNC(=O)CCCn2ccnc2C)C1 ZINC001372662250 1156648504 /nfs/dbraw/zinc/64/85/04/1156648504.db2.gz IGMOCYUNEMUKLJ-OAHLLOKOSA-N 0 3 324.856 2.162 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NCc1cc(C#N)ccc1OC ZINC001391716053 1156726195 /nfs/dbraw/zinc/72/61/95/1156726195.db2.gz GSYMLCVOQLKVER-RCBQFDQVSA-N 0 3 315.417 2.207 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccncc1 ZINC001392625962 1157234078 /nfs/dbraw/zinc/23/40/78/1157234078.db2.gz YRCYQRAZURGNDV-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN COC[C@@H](C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001392705830 1157358605 /nfs/dbraw/zinc/35/86/05/1157358605.db2.gz KJNYFWHUGRABRW-GJZGRUSLSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H](C)CSC ZINC001403350381 1162859133 /nfs/dbraw/zinc/85/91/33/1162859133.db2.gz PVIRMPXCPMQVID-KOLCDFICSA-N 0 3 323.300 2.379 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001373875256 1157425839 /nfs/dbraw/zinc/42/58/39/1157425839.db2.gz MRABJBMOBXOZFO-XJKSGUPXSA-N 0 3 314.857 2.430 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001374194961 1157712854 /nfs/dbraw/zinc/71/28/54/1157712854.db2.gz JFYZLYISEUIRCS-NEPJUHHUSA-N 0 3 323.437 2.385 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)C1CC1 ZINC001403480672 1162895756 /nfs/dbraw/zinc/89/57/56/1162895756.db2.gz BNPDKWKKEVMREG-LBPRGKRZSA-N 0 3 301.228 2.132 20 30 DEEDHN Cc1conc1C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374305743 1157807729 /nfs/dbraw/zinc/80/77/29/1157807729.db2.gz KKAPNCSXLGHUTJ-NSHDSACASA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001374330560 1157815033 /nfs/dbraw/zinc/81/50/33/1157815033.db2.gz QIKICOSGNRIITL-GOEBONIOSA-N 0 3 323.868 2.478 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001393528197 1157851964 /nfs/dbraw/zinc/85/19/64/1157851964.db2.gz RWTVESZCYHXVRP-WFASDCNBSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1ncccc1CNC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 ZINC001393548035 1157859176 /nfs/dbraw/zinc/85/91/76/1157859176.db2.gz PTQGTNQRVXYFIC-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccn(C)c1 ZINC001393942746 1158088765 /nfs/dbraw/zinc/08/87/65/1158088765.db2.gz YUQQKMCVEFTHDI-RYUDHWBXSA-N 0 3 316.430 2.255 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001394133126 1158325777 /nfs/dbraw/zinc/32/57/77/1158325777.db2.gz JFCCAUCOWWOYTP-GFCCVEGCSA-N 0 3 324.856 2.481 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CO[C@@H](C)CC)C1 ZINC001375570494 1158816681 /nfs/dbraw/zinc/81/66/81/1158816681.db2.gz WJAQVXXDEGFVFS-MELADBBJSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(COC)CCCC2)C1 ZINC001376467075 1159452636 /nfs/dbraw/zinc/45/26/36/1159452636.db2.gz ZRZWLYFOGAGXMT-BETUJISGSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001397049586 1159921635 /nfs/dbraw/zinc/92/16/35/1159921635.db2.gz LJFRCDRZUKZKEG-MJBXVCDLSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC2CCOCC2)C1 ZINC001397632614 1160373568 /nfs/dbraw/zinc/37/35/68/1160373568.db2.gz ZLFNMUZKBPJXIV-HDJSIYSDSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCn1nc(C)cc1C ZINC001377478283 1160408313 /nfs/dbraw/zinc/40/83/13/1160408313.db2.gz USPYVWZKRCBZPP-LBPRGKRZSA-N 0 3 312.845 2.127 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H](OC)C(C)C ZINC001377486065 1160417132 /nfs/dbraw/zinc/41/71/32/1160417132.db2.gz YEGGRINTGAPWQP-RYUDHWBXSA-N 0 3 321.259 2.050 20 30 DEEDHN C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)NCC=C(Cl)Cl ZINC001377777613 1160819123 /nfs/dbraw/zinc/81/91/23/1160819123.db2.gz DPAZTKZDOJSIRB-DTWKUNHWSA-N 0 3 315.204 2.302 20 30 DEEDHN CCc1ncoc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001399051531 1161206358 /nfs/dbraw/zinc/20/63/58/1161206358.db2.gz WSCWKXDCFBEXLA-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(C2CCC2)c1 ZINC001399314168 1161340032 /nfs/dbraw/zinc/34/00/32/1161340032.db2.gz LDYRYAVVYHDULD-LBPRGKRZSA-N 0 3 310.829 2.459 20 30 DEEDHN CCN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccc(C#N)cc1 ZINC001399718724 1161537482 /nfs/dbraw/zinc/53/74/82/1161537482.db2.gz WPDXFBPXCCVNCL-UHFFFAOYSA-N 0 3 321.384 2.010 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccnn2C)CCCC[C@@H]1C ZINC001401040303 1161863472 /nfs/dbraw/zinc/86/34/72/1161863472.db2.gz MIDPWOGUARWWRD-BLLLJJGKSA-N 0 3 324.856 2.441 20 30 DEEDHN Cc1cc(CNC2(CNC(=O)[C@@H](C)C#N)CCCC2)sn1 ZINC001401174153 1161886700 /nfs/dbraw/zinc/88/67/00/1161886700.db2.gz DXKRQUPIIWBECN-NSHDSACASA-N 0 3 306.435 2.130 20 30 DEEDHN CCC(C)(C)CC(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 ZINC001401505892 1162021972 /nfs/dbraw/zinc/02/19/72/1162021972.db2.gz KQMMPNPPBIQRIS-LBPRGKRZSA-N 0 3 323.462 2.013 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001401679986 1162073177 /nfs/dbraw/zinc/07/31/77/1162073177.db2.gz VHGVNPBPIXFYQS-XHDPSFHLSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(C)[nH]c1=O)C1CC1 ZINC001405472275 1164108970 /nfs/dbraw/zinc/10/89/70/1164108970.db2.gz PECOFQLIUCOFEC-INIZCTEOSA-N 0 3 323.824 2.336 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc2nccn21)C(C)C ZINC001406052186 1164410270 /nfs/dbraw/zinc/41/02/70/1164410270.db2.gz UXHGMWCITZSSAX-CYBMUJFWSA-N 0 3 320.824 2.431 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001406349323 1164547352 /nfs/dbraw/zinc/54/73/52/1164547352.db2.gz GFKVWOQOXNWCEY-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@H](CN(C)CCc1c(F)cccc1F)NC(=O)[C@@H](C)C#N ZINC001406590802 1164708049 /nfs/dbraw/zinc/70/80/49/1164708049.db2.gz RYNAEJLJIYZEKS-NWDGAFQWSA-N 0 3 309.360 2.103 20 30 DEEDHN CCN(CCNC(=O)c1cccnc1)Cc1cccc(C#N)c1 ZINC001418532540 1167781022 /nfs/dbraw/zinc/78/10/22/1167781022.db2.gz XEWHGZMBJLCTQO-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN C=C(Br)CN[C@@H]1CC[C@H](CNC(=O)C(C)C)C1 ZINC001418717840 1167910752 /nfs/dbraw/zinc/91/07/52/1167910752.db2.gz NAYYJDXFYAQBOF-NWDGAFQWSA-N 0 3 303.244 2.426 20 30 DEEDHN Cc1ccncc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001419716943 1168817487 /nfs/dbraw/zinc/81/74/87/1168817487.db2.gz JTSHTMXTPHTNLQ-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN CN1C[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C(C)(C)C1 ZINC001420005865 1169055760 /nfs/dbraw/zinc/05/57/60/1169055760.db2.gz BDUFEHBDFMLYOI-HNNXBMFYSA-N 0 3 315.392 2.185 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001420097267 1169158985 /nfs/dbraw/zinc/15/89/85/1169158985.db2.gz GZGZCTSTGJHAGP-SNVBAGLBSA-N 0 3 321.812 2.117 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC(C)(F)F ZINC001420338522 1169376094 /nfs/dbraw/zinc/37/60/94/1169376094.db2.gz JUHZLSIREJKQBG-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC12CCC2 ZINC001420479221 1169627746 /nfs/dbraw/zinc/62/77/46/1169627746.db2.gz JWECIJYRGFRFQO-FZMZJTMJSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001420919058 1171347715 /nfs/dbraw/zinc/34/77/15/1171347715.db2.gz BBFPNYBRLILJCT-AWEZNQCLSA-N 0 3 313.873 2.004 20 30 DEEDHN CS[C@@H](C)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001420922662 1171350458 /nfs/dbraw/zinc/35/04/58/1171350458.db2.gz WYDACEPOAHVLQL-LBPRGKRZSA-N 0 3 303.431 2.048 20 30 DEEDHN Cc1nc(C)c(CN2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001421137007 1171522096 /nfs/dbraw/zinc/52/20/96/1171522096.db2.gz GARULAONXVXBOW-NSHDSACASA-N 0 3 320.462 2.390 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)c1cnn(C)c1)C1CC1 ZINC001421568365 1171851558 /nfs/dbraw/zinc/85/15/58/1171851558.db2.gz IIROTTOZMCJZCL-LRDDRELGSA-N 0 3 324.856 2.151 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cn2ccnc2)CCCC[C@@H]1C ZINC001421574287 1171854202 /nfs/dbraw/zinc/85/42/02/1171854202.db2.gz JPHPUUJAVWLYHT-XJKSGUPXSA-N 0 3 324.856 2.290 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cccnn2)CCCC[C@H]1C ZINC001421582965 1171857440 /nfs/dbraw/zinc/85/74/40/1171857440.db2.gz ZQGAAZGCOSFTRA-MLGOLLRUSA-N 0 3 322.840 2.497 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)C(C)C ZINC001422096617 1172301416 /nfs/dbraw/zinc/30/14/16/1172301416.db2.gz JKANWWGCGKNXQP-GDBMZVCRSA-N 0 3 322.836 2.473 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)[C@@H]1C[C@H]1C ZINC001422866674 1172890028 /nfs/dbraw/zinc/89/00/28/1172890028.db2.gz JZKWJEWVJQMZEA-CKEIUWERSA-N 0 3 315.417 2.181 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001422988531 1173001550 /nfs/dbraw/zinc/00/15/50/1173001550.db2.gz ZFKKRGSLRWUBAV-HIFRSBDPSA-N 0 3 324.856 2.413 20 30 DEEDHN CS[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001423035104 1173031761 /nfs/dbraw/zinc/03/17/61/1173031761.db2.gz STEBUXCENQFZCZ-NWDGAFQWSA-N 0 3 323.437 2.385 20 30 DEEDHN CO[C@@H](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001423054492 1173046979 /nfs/dbraw/zinc/04/69/79/1173046979.db2.gz HUGQGFZZKQQJQU-STQMWFEESA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001425423119 1174314211 /nfs/dbraw/zinc/31/42/11/1174314211.db2.gz ZQHFFLWYBDRHOH-HDJSIYSDSA-N 0 3 314.857 2.430 20 30 DEEDHN CC(=O)CCCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)cc1 ZINC001425517794 1174348710 /nfs/dbraw/zinc/34/87/10/1174348710.db2.gz JTVMKKMREHNINH-CQSZACIVSA-N 0 3 315.417 2.254 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ncccn3)CC2)cc1 ZINC001434489422 1178657346 /nfs/dbraw/zinc/65/73/46/1178657346.db2.gz HIWCKVKGXBDFML-QGZVFWFLSA-N 0 3 308.385 2.261 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](c3ncccn3)C2)cc1 ZINC001434490694 1178658928 /nfs/dbraw/zinc/65/89/28/1178658928.db2.gz UHEHPBZUWSZAPX-OAHLLOKOSA-N 0 3 321.384 2.166 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001436385115 1179073811 /nfs/dbraw/zinc/07/38/11/1179073811.db2.gz MDUQIGSTYKBXDP-KCPJHIHWSA-N 0 3 324.856 2.065 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)C2CCCC2)cc1C#N ZINC001437101819 1179410311 /nfs/dbraw/zinc/41/03/11/1179410311.db2.gz VIKJSEWSMOWAMT-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C#N)NCc1cc(Cl)cc2c1OCC2 ZINC001437129065 1179455765 /nfs/dbraw/zinc/45/57/65/1179455765.db2.gz SRUMIQHXKOQYNG-WDEREUQCSA-N 0 3 321.808 2.029 20 30 DEEDHN C[C@H](CNC(=O)C1(CF)CCC1)NCc1ccc(C#N)s1 ZINC001437199542 1179563636 /nfs/dbraw/zinc/56/36/36/1179563636.db2.gz DHLSNPQVKTYVJZ-LLVKDONJSA-N 0 3 309.410 2.354 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccc2c(c1)COC2 ZINC001437419681 1179796314 /nfs/dbraw/zinc/79/63/14/1179796314.db2.gz DRROPDRADYUDJF-CYBMUJFWSA-N 0 3 322.836 2.496 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc(OC)cc1 ZINC001437427053 1179800686 /nfs/dbraw/zinc/80/06/86/1179800686.db2.gz XXIGILSIKWYMRF-ZDUSSCGKSA-N 0 3 310.825 2.475 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1cccnc1)C1CC1 ZINC001438414934 1180402390 /nfs/dbraw/zinc/40/23/90/1180402390.db2.gz LPCFABFORAXTQY-MRXNPFEDSA-N 0 3 307.825 2.251 20 30 DEEDHN Cc1ncsc1CNC[C@H](CC(C)C)NC(=O)[C@H](C)C#N ZINC001438721735 1180791373 /nfs/dbraw/zinc/79/13/73/1180791373.db2.gz FSSGHFWNJYSOIS-YPMHNXCESA-N 0 3 308.451 2.232 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cnc1C ZINC001438772287 1180809092 /nfs/dbraw/zinc/80/90/92/1180809092.db2.gz LOVGQOBSTLRXEV-NHYWBVRUSA-N 0 3 324.856 2.230 20 30 DEEDHN C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)c1c[nH]c(C#N)c1 ZINC001439109929 1180886831 /nfs/dbraw/zinc/88/68/31/1180886831.db2.gz MFEVXTBDQHLGAD-VXGBXAGGSA-N 0 3 314.364 2.495 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC(F)(F)F ZINC001439199349 1180933222 /nfs/dbraw/zinc/93/32/22/1180933222.db2.gz KDWLJPNMBYEDBQ-VIFPVBQESA-N 0 3 317.286 2.244 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001439350967 1181038349 /nfs/dbraw/zinc/03/83/49/1181038349.db2.gz CRIOGSZIEFSALM-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1conc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439394682 1181069280 /nfs/dbraw/zinc/06/92/80/1181069280.db2.gz WPQFALFRYQCDLG-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CN1CCC2(CN(C(=O)CN(C)CCC)C2)CC1 ZINC001440243624 1181400055 /nfs/dbraw/zinc/40/00/55/1181400055.db2.gz ULKYBLSPNKDXDL-UHFFFAOYSA-N 0 3 313.873 2.005 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](OC)[C@@H](C)CC)C1 ZINC001440340272 1181455467 /nfs/dbraw/zinc/45/54/67/1181455467.db2.gz IAOUUZNYIBUPAQ-DOERSZECSA-N 0 3 302.846 2.284 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001441153688 1181873625 /nfs/dbraw/zinc/87/36/25/1181873625.db2.gz BERMOMRFBQXODU-XHDPSFHLSA-N 0 3 321.446 2.029 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001441374461 1181962403 /nfs/dbraw/zinc/96/24/03/1181962403.db2.gz DHTKEOKKFFEHFY-LERXQTSPSA-N 0 3 321.421 2.186 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001441374459 1181962433 /nfs/dbraw/zinc/96/24/33/1181962433.db2.gz DHTKEOKKFFEHFY-BPNCWPANSA-N 0 3 321.421 2.186 20 30 DEEDHN C[C@H](CNC(=O)c1cncs1)NCc1ccc(F)c(C#N)c1 ZINC001441784464 1182160374 /nfs/dbraw/zinc/16/03/74/1182160374.db2.gz FUCOUMDYZYQDST-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CCN(CCNC(=O)c1cscn1)Cc1cccc(C#N)c1 ZINC001442640984 1182597968 /nfs/dbraw/zinc/59/79/68/1182597968.db2.gz RFSBSIDAXODXKO-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)CNCc1csc(C2CC2)n1 ZINC001444311628 1183342210 /nfs/dbraw/zinc/34/22/10/1183342210.db2.gz RQHQSXZCGMANFM-WDEREUQCSA-N 0 3 306.435 2.022 20 30 DEEDHN Cc1cc(C(=O)N(C)[C@H](C)CNCc2ccc(C#N)s2)on1 ZINC001444581970 1183466005 /nfs/dbraw/zinc/46/60/05/1183466005.db2.gz OLDOBIPNEGPOKB-LLVKDONJSA-N 0 3 318.402 2.167 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@H]1CCCO1 ZINC001445342999 1183839394 /nfs/dbraw/zinc/83/93/94/1183839394.db2.gz HAIVGAVSHNWTKY-CHWSQXEVSA-N 0 3 321.446 2.173 20 30 DEEDHN CCCCC(=O)N[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001445347359 1183841171 /nfs/dbraw/zinc/84/11/71/1183841171.db2.gz IXRLJQPFBQZMOZ-CYBMUJFWSA-N 0 3 303.406 2.351 20 30 DEEDHN CC1CC(C(=O)NCC2(NCc3ccc(C#N)c(F)c3)CC2)C1 ZINC001446170734 1184259134 /nfs/dbraw/zinc/25/91/34/1184259134.db2.gz QLMWWGCCTDTDQQ-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)CCCn1ccnc1C ZINC001447891857 1184925662 /nfs/dbraw/zinc/92/56/62/1184925662.db2.gz GHAFLMRMWZFQCI-QWHCGFSZSA-N 0 3 312.845 2.207 20 30 DEEDHN COc1cc(CN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)ccc1C ZINC001447992713 1185005952 /nfs/dbraw/zinc/00/59/52/1185005952.db2.gz IRGMHUACVAADCQ-KBPBESRZSA-N 0 3 303.406 2.100 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001448054131 1185049120 /nfs/dbraw/zinc/04/91/20/1185049120.db2.gz KZRJWQJYHVQEII-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001331991811 1149804413 /nfs/dbraw/zinc/80/44/13/1149804413.db2.gz OSQHDLXGBNUYNL-HIFRSBDPSA-N 0 3 316.449 2.162 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001370576486 1149812579 /nfs/dbraw/zinc/81/25/79/1149812579.db2.gz HBPPYLIUHCXSCY-YEJSDXFRSA-N 0 3 303.328 2.210 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)COc2cc(C)ccc2C)C1 ZINC001332046437 1149812721 /nfs/dbraw/zinc/81/27/21/1149812721.db2.gz HBCMJPWOPDORRB-SJORKVTESA-N 0 3 314.429 2.285 20 30 DEEDHN C#CCCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001332090277 1149818297 /nfs/dbraw/zinc/81/82/97/1149818297.db2.gz LNXGIZIEJZHION-PKOBYXMFSA-N 0 3 311.429 2.498 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCn2cccn2)[C@H]1C ZINC001332183310 1149831325 /nfs/dbraw/zinc/83/13/25/1149831325.db2.gz BJPYCYBGHUJELS-HOTGVXAUSA-N 0 3 304.438 2.209 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cncc4ccccc43)C2)C1 ZINC001072827667 790263833 /nfs/dbraw/zinc/26/38/33/790263833.db2.gz UBUQHZWYGYDZAG-UHFFFAOYSA-N 0 3 321.424 2.498 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC001072864333 790278547 /nfs/dbraw/zinc/27/85/47/790278547.db2.gz AFNPPQABBMLSRZ-UHFFFAOYSA-N 0 3 310.441 2.349 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2snnc2C)CC(C)(C)C1 ZINC001089312790 782495138 /nfs/dbraw/zinc/49/51/38/782495138.db2.gz LHYRPORCSJGRKS-CYBMUJFWSA-N 0 3 320.462 2.090 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3[nH]nc(C4CC4)c3Cl)C2)C1 ZINC001072896327 790292593 /nfs/dbraw/zinc/29/25/93/790292593.db2.gz IDPVVXIJVRRDPQ-UHFFFAOYSA-N 0 3 320.824 2.274 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC)cc3C)C2)C1 ZINC001072938624 790312501 /nfs/dbraw/zinc/31/25/01/790312501.db2.gz DLRGYJQVAKEHOQ-UHFFFAOYSA-N 0 3 300.402 2.338 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C(C)(C)C)nn3C)C2)C1 ZINC001072941251 790313172 /nfs/dbraw/zinc/31/31/72/790313172.db2.gz HSLOQJJJYDBLEQ-UHFFFAOYSA-N 0 3 316.449 2.052 20 30 DEEDHN C=CCOCCN(C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001332708164 1149882225 /nfs/dbraw/zinc/88/22/25/1149882225.db2.gz VIPNDSGBHGZLRI-UHFFFAOYSA-N 0 3 308.466 2.407 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1cnn2c1CCCC2)C(C)C ZINC001332712042 1149883105 /nfs/dbraw/zinc/88/31/05/1149883105.db2.gz ZQBJJALFLHGUTA-UHFFFAOYSA-N 0 3 318.465 2.117 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099220506 782669058 /nfs/dbraw/zinc/66/90/58/782669058.db2.gz OQBOFBCDIGEKAW-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106567708 782787493 /nfs/dbraw/zinc/78/74/93/782787493.db2.gz QDIGNLBDIDEKKW-OWCLPIDISA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106612419 782812547 /nfs/dbraw/zinc/81/25/47/782812547.db2.gz VUMFYCYUBUBDAU-CHWSQXEVSA-N 0 3 308.451 2.079 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1C(F)(F)F ZINC001099246911 782880377 /nfs/dbraw/zinc/88/03/77/782880377.db2.gz KMFQNHNFNZEUKT-GHMZBOCLSA-N 0 3 301.312 2.102 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cncc(F)c2)CC(C)(C)C1 ZINC001089357921 783000001 /nfs/dbraw/zinc/00/00/01/783000001.db2.gz QLVUXTNJLWRGRP-HNNXBMFYSA-N 0 3 303.381 2.074 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCCOC)C[C@@H](C)O2 ZINC001111537251 783025523 /nfs/dbraw/zinc/02/55/23/783025523.db2.gz TZNGIAFTUMUCPJ-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]nc2CC)CC(C)(C)C1 ZINC001089426420 783096048 /nfs/dbraw/zinc/09/60/48/783096048.db2.gz CPUYPFJYDLEGIH-AWEZNQCLSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cncc3[nH]ccc32)CC(C)(C)C1 ZINC001089430664 783099793 /nfs/dbraw/zinc/09/97/93/783099793.db2.gz QZXYLSSUZXGSEO-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C[C@H]1C ZINC000947386370 783122673 /nfs/dbraw/zinc/12/26/73/783122673.db2.gz HMZWOYFWHQLKFZ-NEPJUHHUSA-N 0 3 322.840 2.232 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nccc3cccnc32)C[C@H]1C ZINC000947403877 783127366 /nfs/dbraw/zinc/12/73/66/783127366.db2.gz IBTUYAVRIVJDJO-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nccc3cccnc32)C[C@@H]1C ZINC000947405443 783128045 /nfs/dbraw/zinc/12/80/45/783128045.db2.gz ZRJFCVYAKAXXNO-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CC2CC(OCC)C2)CC(C)(C)C1 ZINC001089472262 783139987 /nfs/dbraw/zinc/13/99/87/783139987.db2.gz FZUOEZLJPTZYQO-CGZBRXJRSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)C[C@H]1C ZINC000947468472 783145448 /nfs/dbraw/zinc/14/54/48/783145448.db2.gz KIYFYXNYPZKJMP-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C[C@@H]1C ZINC000947543220 783167331 /nfs/dbraw/zinc/16/73/31/783167331.db2.gz QQLMBVAMKGAQMH-GOEBONIOSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3cnccc3c2)C[C@@H]1C ZINC000947543326 783167359 /nfs/dbraw/zinc/16/73/59/783167359.db2.gz SGQYTDACYLKZGJ-XJKSGUPXSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1C ZINC000947564766 783176077 /nfs/dbraw/zinc/17/60/77/783176077.db2.gz SLHBWRHBNVCRHK-DGCLKSJQSA-N 0 3 313.405 2.035 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)C[C@H]1C ZINC000947596590 783184122 /nfs/dbraw/zinc/18/41/22/783184122.db2.gz CARHCYYLXDHCKT-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnoc2C2CC2)CC(C)(C)C1 ZINC001089534162 783191178 /nfs/dbraw/zinc/19/11/78/783191178.db2.gz 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790417547 /nfs/dbraw/zinc/41/75/47/790417547.db2.gz WVFIJQLBQUKQJM-LSDHHAIUSA-N 0 3 324.371 2.365 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn([C@H](C)CC)c3C)C2)C1 ZINC001073111918 790463885 /nfs/dbraw/zinc/46/38/85/790463885.db2.gz CCOINSXHDARZIL-CQSZACIVSA-N 0 3 316.449 2.496 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1F ZINC001125291583 776586093 /nfs/dbraw/zinc/58/60/93/776586093.db2.gz LMVJPTCOYJIXHM-QLPKVWCKSA-N 0 3 315.392 2.339 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3CCO[C@@H](CC)C3)C2)C1 ZINC001073109181 790461677 /nfs/dbraw/zinc/46/16/77/790461677.db2.gz VGCZHTKHIIUGSY-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cccc(COC)c3)C2)C1 ZINC001073121075 790470890 /nfs/dbraw/zinc/47/08/90/790470890.db2.gz IGGNKZPHZYUBQQ-UHFFFAOYSA-N 0 3 314.429 2.096 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cn(C(C)C)nc3C)C2)C1 ZINC001073123425 790470946 /nfs/dbraw/zinc/47/09/46/790470946.db2.gz WJXFGOWJVPQGBQ-UHFFFAOYSA-N 0 3 302.422 2.106 20 30 DEEDHN 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N#Cc1ccc(F)c(CNC2CC(CNC(=O)C3CC3)C2)c1 ZINC001090893227 790643664 /nfs/dbraw/zinc/64/36/64/790643664.db2.gz JJLSUJWTPYXPCI-UHFFFAOYSA-N 0 3 301.365 2.092 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C2)C1 ZINC001073415464 790643651 /nfs/dbraw/zinc/64/36/51/790643651.db2.gz ZWGGHXRXMZDFAG-CQSZACIVSA-N 0 3 318.392 2.313 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001100363033 778731608 /nfs/dbraw/zinc/73/16/08/778731608.db2.gz MDUQIGSTYKBXDP-QGLTVNCISA-N 0 3 324.856 2.065 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3nc(C(C)C)oc3C)[C@@H]2C1 ZINC001075786390 779236339 /nfs/dbraw/zinc/23/63/39/779236339.db2.gz RBGONHXIETVWKD-LSDHHAIUSA-N 0 3 315.417 2.276 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccnc3OC(C)C)C2)C1 ZINC001073497706 790694347 /nfs/dbraw/zinc/69/43/47/790694347.db2.gz ZFAMUXGYXYVJBS-UHFFFAOYSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3ccsc32)[C@H]1CC ZINC001087596114 779371805 /nfs/dbraw/zinc/37/18/05/779371805.db2.gz MIFGSHVZWKBXAQ-WCQYABFASA-N 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DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001073566336 790725762 /nfs/dbraw/zinc/72/57/62/790725762.db2.gz PFAHJHZUQWXHQW-CQSZACIVSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc43)C[C@@H]2C1 ZINC001088085919 779689948 /nfs/dbraw/zinc/68/99/48/779689948.db2.gz LZHTYPBYJBTXAU-AOIWGVFYSA-N 0 3 308.425 2.130 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ncoc3C(C)C)C[C@@H]2C1 ZINC001088162729 779737702 /nfs/dbraw/zinc/73/77/02/779737702.db2.gz GYOKLWJOVRZHBV-CABCVRRESA-N 0 3 315.417 2.215 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001088177848 779756308 /nfs/dbraw/zinc/75/63/08/779756308.db2.gz CNZGXUSAXYQSMD-CABCVRRESA-N 0 3 302.805 2.367 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2C1 ZINC001088180688 779759050 /nfs/dbraw/zinc/75/90/50/779759050.db2.gz VTUZMBRDTWMYLI-MOPGFXCFSA-N 0 3 310.441 2.423 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)s3)C[C@@H]2C1 ZINC001088211326 779773935 /nfs/dbraw/zinc/77/39/35/779773935.db2.gz 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/nfs/dbraw/zinc/06/14/28/780061428.db2.gz LPLZNUQZJQKXDE-CYBMUJFWSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccnc(C)n2)CC1 ZINC001168191895 780439279 /nfs/dbraw/zinc/43/92/79/780439279.db2.gz JMZUXLQDYFLOQN-UHFFFAOYSA-N 0 3 308.813 2.027 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)[C@H]1C ZINC001088565542 780486721 /nfs/dbraw/zinc/48/67/21/780486721.db2.gz SPQWAMHSMNLPIP-XPKDYRNWSA-N 0 3 318.392 2.142 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)[C@H]1C ZINC001088573632 780503308 /nfs/dbraw/zinc/50/33/08/780503308.db2.gz ZOKIWRBOKQWVLP-PMPSAXMXSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@H]1C ZINC001088614748 780620597 /nfs/dbraw/zinc/62/05/97/780620597.db2.gz DBVADCPHFPVWJN-PWSUYJOCSA-N 0 3 310.829 2.394 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@H]1C ZINC001088624232 780665004 /nfs/dbraw/zinc/66/50/04/780665004.db2.gz URNMIHVLSSNYPI-ZJUUUORDSA-N 0 3 316.327 2.197 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2sc3nccn3c2C)[C@H]1C ZINC001088628163 780666291 /nfs/dbraw/zinc/66/62/91/780666291.db2.gz DEVKNYYKNRDYGQ-YPMHNXCESA-N 0 3 318.446 2.473 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn3c2ccc(C)c3C)[C@H]1C ZINC001088634980 780670523 /nfs/dbraw/zinc/67/05/23/780670523.db2.gz VDMBWMZMVYIRBH-WBVHZDCISA-N 0 3 324.428 2.167 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H]1C ZINC001088636896 780671647 /nfs/dbraw/zinc/67/16/47/780671647.db2.gz BYWKVBNPQJBHHY-DOMZBBRYSA-N 0 3 311.385 2.352 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCN(C(=O)/C(C)=C\C)C2)nn1 ZINC001098648975 780696010 /nfs/dbraw/zinc/69/60/10/780696010.db2.gz IRODMQVBOFBVDH-HSLRFEFHSA-N 0 3 317.437 2.074 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)nnc2CC)[C@H]1C ZINC001088677458 780705391 /nfs/dbraw/zinc/70/53/91/780705391.db2.gz NMQKTLNMMIBLCM-CJNGLKHVSA-N 0 3 302.422 2.116 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(O)cn1)C2 ZINC001144259982 790827459 /nfs/dbraw/zinc/82/74/59/790827459.db2.gz VCSZHYRAHDHGMF-MSOLQXFVSA-N 0 3 318.417 2.361 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CCOCC2)[C@H]1C ZINC001088728060 780919514 /nfs/dbraw/zinc/91/95/14/780919514.db2.gz AJTKSFPKFZMPCL-ZBFHGGJFSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)[C@H]1C ZINC001088782938 780981380 /nfs/dbraw/zinc/98/13/80/780981380.db2.gz SZTUPOILMIPWEJ-YPMHNXCESA-N 0 3 301.415 2.445 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)[C@H]1C ZINC001088814102 781034997 /nfs/dbraw/zinc/03/49/97/781034997.db2.gz ZCRIMTRGPZRHSS-VHDGCEQUSA-N 0 3 318.421 2.030 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001073759348 790853386 /nfs/dbraw/zinc/85/33/86/790853386.db2.gz XJMXEBNFXSBJFN-JFIYKMOQSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnnc4ccccc43)[C@@H]2C1 ZINC001076290425 781202317 /nfs/dbraw/zinc/20/23/17/781202317.db2.gz RPVQTBOSGLCEJR-KBXCAEBGSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccccc3COC)[C@@H]2C1 ZINC001076351281 781227577 /nfs/dbraw/zinc/22/75/77/781227577.db2.gz VTPDKNCSKBFBSE-FUHWJXTLSA-N 0 3 314.429 2.094 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccn4ccnc34)[C@@H]2C1 ZINC001076355936 781231965 /nfs/dbraw/zinc/23/19/65/781231965.db2.gz LXZPHQHIUZYACH-GOEBONIOSA-N 0 3 310.401 2.057 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2C1 ZINC001076364778 781234547 /nfs/dbraw/zinc/23/45/47/781234547.db2.gz RJMFLOUMWZYFAY-UKPHBRMFSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001073782676 790868699 /nfs/dbraw/zinc/86/86/99/790868699.db2.gz CAOJMHPXRTWIJZ-KRWDZBQOSA-N 0 3 314.429 2.147 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cc(F)cc(F)c3)[C@@H]2C1 ZINC001076616982 781330300 /nfs/dbraw/zinc/33/03/00/781330300.db2.gz DLHWKJJKMRCYRU-BLLLJJGKSA-N 0 3 322.355 2.062 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CN(CC)CC)CC1 ZINC001076628610 781331360 /nfs/dbraw/zinc/33/13/60/781331360.db2.gz VCDJKBOCCMEMLH-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncc(C)cc2OC)C1 ZINC001091072553 790892596 /nfs/dbraw/zinc/89/25/96/790892596.db2.gz FUQCQZKAPGKKDI-UHFFFAOYSA-N 0 3 323.824 2.249 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ccncc3c2)C[C@H]1C ZINC000947899013 783262011 /nfs/dbraw/zinc/26/20/11/783262011.db2.gz COXVULVOPHVBMM-RDTXWAMCSA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)no1 ZINC001089605808 783268910 /nfs/dbraw/zinc/26/89/10/783268910.db2.gz PVGMFKWHHOGMTR-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2OC)C[C@H]1C ZINC000947970748 783281105 /nfs/dbraw/zinc/28/11/05/783281105.db2.gz BBFLSBNHLWMYFQ-KGLIPLIRSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C[C@H]1C ZINC000947986530 783285192 /nfs/dbraw/zinc/28/51/92/783285192.db2.gz XXKNLULXDGKKGY-CJNGLKHVSA-N 0 3 304.821 2.485 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@@H]2O)C1 ZINC001083763499 783294972 /nfs/dbraw/zinc/29/49/72/783294972.db2.gz NMJQCDCZCVEOPN-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3ncccc23)C[C@H]1C ZINC000948040789 783300494 /nfs/dbraw/zinc/30/04/94/783300494.db2.gz SQNGXYMEFKEONI-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000948053712 783304915 /nfs/dbraw/zinc/30/49/15/783304915.db2.gz VANZWXGYGYJBTG-RISCZKNCSA-N 0 3 313.405 2.035 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC000948077678 783313181 /nfs/dbraw/zinc/31/31/81/783313181.db2.gz FIEQGPRJSGTPIB-DOTOQJQBSA-N 0 3 323.440 2.323 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(COC)s2)C[C@H]1C ZINC000948086281 783315766 /nfs/dbraw/zinc/31/57/66/783315766.db2.gz OVZIVQXTWWBZNK-VXGBXAGGSA-N 0 3 309.435 2.058 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)CC)cc2)C[C@@H]1C ZINC000948094310 783317462 /nfs/dbraw/zinc/31/74/62/783317462.db2.gz JGRJNPKQTUUZGL-RDJZCZTQSA-N 0 3 313.445 2.359 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001089654243 783323583 /nfs/dbraw/zinc/32/35/83/783323583.db2.gz IJARHOHLDAVXDB-CYBMUJFWSA-N 0 3 320.437 2.220 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1F ZINC001089716540 783379024 /nfs/dbraw/zinc/37/90/24/783379024.db2.gz KGMVBEHFTQMMOW-CQSZACIVSA-N 0 3 317.408 2.464 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948242487 783388615 /nfs/dbraw/zinc/38/86/15/783388615.db2.gz XFPXYAXSYGUVBX-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2n[nH]c3ccc(C)cc32)CC1 ZINC000948583620 783512540 /nfs/dbraw/zinc/51/25/40/783512540.db2.gz WFXVKKWPEWCAJM-OAHLLOKOSA-N 0 3 324.428 2.431 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](N(C)C(=O)Cn2cncc2C)CC1 ZINC000948620076 783531915 /nfs/dbraw/zinc/53/19/15/783531915.db2.gz CBFKYGVKZRKCCU-HNNXBMFYSA-N 0 3 324.856 2.257 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000948630693 783540860 /nfs/dbraw/zinc/54/08/60/783540860.db2.gz ANEAPBWEGNLKBP-KSZLIROESA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccncc2C)C1 ZINC000966104126 783563569 /nfs/dbraw/zinc/56/35/69/783563569.db2.gz MFPDPTLVTDCNJK-WMLDXEAASA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccn(CC)n1 ZINC001085204976 783580060 /nfs/dbraw/zinc/58/00/60/783580060.db2.gz UZOYFHJHRCNKGI-HUUCEWRRSA-N 0 3 324.856 2.215 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cncs1 ZINC001085234502 783594614 /nfs/dbraw/zinc/59/46/14/783594614.db2.gz XQGUMQPWHLIKJW-CHWSQXEVSA-N 0 3 313.854 2.455 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C ZINC001085245252 783601142 /nfs/dbraw/zinc/60/11/42/783601142.db2.gz QIPCZQPWSASPIO-RBSFLKMASA-N 0 3 313.873 2.240 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966233375 783606274 /nfs/dbraw/zinc/60/62/74/783606274.db2.gz LVOXTHXUOCQWGZ-CXAGYDPISA-N 0 3 320.383 2.357 20 30 DEEDHN CC(C)OCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154850200 783675412 /nfs/dbraw/zinc/67/54/12/783675412.db2.gz VRACISQPEVIKAG-UHFFFAOYSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC000966596803 783704985 /nfs/dbraw/zinc/70/49/85/783704985.db2.gz FHSDBJMYJBPWHV-SWLSCSKDSA-N 0 3 321.396 2.246 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966725169 783741383 /nfs/dbraw/zinc/74/13/83/783741383.db2.gz SJCIRKWUIREXLB-BLLLJJGKSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC000966908643 783815299 /nfs/dbraw/zinc/81/52/99/783815299.db2.gz UCLBNWRZVZHVNB-BXUZGUMPSA-N 0 3 309.360 2.376 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnn1CC(C)C ZINC001085622924 783897408 /nfs/dbraw/zinc/89/74/08/783897408.db2.gz HFFLVRPRJURYEL-HNNXBMFYSA-N 0 3 304.438 2.262 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967233938 783909111 /nfs/dbraw/zinc/90/91/11/783909111.db2.gz YPTCLCAAXFXMIY-RHSMWYFYSA-N 0 3 311.429 2.423 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC=C(C)C)C[C@H]2O)CCC1 ZINC001099989980 783956108 /nfs/dbraw/zinc/95/61/08/783956108.db2.gz WLAJIASCMBBPFP-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2ccc(C)cn21 ZINC001085721755 783999574 /nfs/dbraw/zinc/99/95/74/783999574.db2.gz DWXAXYVABSJMLJ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718645 784003465 /nfs/dbraw/zinc/00/34/65/784003465.db2.gz WXGRMPIPYBZANG-IXDOHACOSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2cnccc2c1 ZINC001085725716 784009515 /nfs/dbraw/zinc/00/95/15/784009515.db2.gz CYURPWWXEMRONA-MRXNPFEDSA-N 0 3 310.401 2.352 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)CC(F)(F)F)C2)s1 ZINC000967479785 784026316 /nfs/dbraw/zinc/02/63/16/784026316.db2.gz YKHWIPXIUXULSQ-SECBINFHSA-N 0 3 317.336 2.263 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)[nH]c1=O ZINC001085751204 784042342 /nfs/dbraw/zinc/04/23/42/784042342.db2.gz ZXWYYAJVUJGJCR-AWEZNQCLSA-N 0 3 303.406 2.126 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@H](C)C1 ZINC001073977510 790993788 /nfs/dbraw/zinc/99/37/88/790993788.db2.gz PVLGETCWKCPBDM-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001085817720 784110289 /nfs/dbraw/zinc/11/02/89/784110289.db2.gz HISGWFINVIZFEI-AWEZNQCLSA-N 0 3 319.453 2.146 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnnc2ccccc21 ZINC001085843354 784127542 /nfs/dbraw/zinc/12/75/42/784127542.db2.gz KCGVWTDJKFNNGZ-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085849609 784140750 /nfs/dbraw/zinc/14/07/50/784140750.db2.gz BLPUDYBGQXTYBA-MRXNPFEDSA-N 0 3 304.438 2.406 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968134890 784233360 /nfs/dbraw/zinc/23/33/60/784233360.db2.gz ZURBCTFTBJLYKQ-KSSFIOAISA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(OC)cccc1OC ZINC001085944651 784241418 /nfs/dbraw/zinc/24/14/18/784241418.db2.gz OVJQTXSZLOPVMY-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(OC)ccc1OC ZINC001085964053 784265073 /nfs/dbraw/zinc/26/50/73/784265073.db2.gz XHTGDNMCEKHJOI-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCN1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986581 784285216 /nfs/dbraw/zinc/28/52/16/784285216.db2.gz IBLIVDPWOAXONE-INIZCTEOSA-N 0 3 301.434 2.081 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2cccnc2C)C1 ZINC000968327320 784290664 /nfs/dbraw/zinc/29/06/64/784290664.db2.gz LWEYSKVOBRKNLP-WMLDXEAASA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001086083675 784394603 /nfs/dbraw/zinc/39/46/03/784394603.db2.gz JXPSPKMFXHXNAF-BETUJISGSA-N 0 3 324.856 2.394 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001086087278 784396313 /nfs/dbraw/zinc/39/63/13/784396313.db2.gz VJJJLJPKNAKZSF-YUTCNCBUSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C3CC3)nn2C)C1 ZINC001086098622 784408530 /nfs/dbraw/zinc/40/85/30/784408530.db2.gz NHWLMOMEAXERSM-BJHJDKERSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(COC)o2)C1 ZINC001086143293 784437357 /nfs/dbraw/zinc/43/73/57/784437357.db2.gz IRXFMSXWJLCGSN-TXEJJXNPSA-N 0 3 312.797 2.277 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(CCC)CC[C@@H]1C ZINC000968520562 784442590 /nfs/dbraw/zinc/44/25/90/784442590.db2.gz KOJMQKAASGKJQX-LSDHHAIUSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(C(C)C)CC[C@@H]1C ZINC000968521780 784444223 /nfs/dbraw/zinc/44/42/23/784444223.db2.gz WMKSAAKDCWPHFK-GJZGRUSLSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001090406355 784472038 /nfs/dbraw/zinc/47/20/38/784472038.db2.gz FYJUSTFOTQKGNV-KBPBESRZSA-N 0 3 308.447 2.052 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001086195775 784481923 /nfs/dbraw/zinc/48/19/23/784481923.db2.gz HDLVRLZBOGFZNW-KLPPZKSPSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(CCC)c2)C1 ZINC001086213466 784491535 /nfs/dbraw/zinc/49/15/35/784491535.db2.gz FTBFWLZAFFFKRO-XBXGTLAGSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001086235897 784510667 /nfs/dbraw/zinc/51/06/67/784510667.db2.gz RNFIWIBCYGXFTG-XDQVBPFNSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001086283243 784540772 /nfs/dbraw/zinc/54/07/72/784540772.db2.gz QDIVIEGEXJMNDH-BARDWOONSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccnc(OCC)c2)C1 ZINC001091226183 791046475 /nfs/dbraw/zinc/04/64/75/791046475.db2.gz LCRPERWRDFLLNJ-UHFFFAOYSA-N 0 3 323.824 2.331 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001007388185 784905083 /nfs/dbraw/zinc/90/50/83/784905083.db2.gz RYMHMPHIFWADSA-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001007510463 784939597 /nfs/dbraw/zinc/93/95/97/784939597.db2.gz FNNVGPOEHYQQJA-CQSZACIVSA-N 0 3 303.406 2.169 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccnc(C)c1 ZINC001168882626 784956172 /nfs/dbraw/zinc/95/61/72/784956172.db2.gz DLBJJRFXDVYJKA-UHFFFAOYSA-N 0 3 312.211 2.008 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001007964921 785061114 /nfs/dbraw/zinc/06/11/14/785061114.db2.gz ZKEAKGLPUAKAMZ-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001008000854 785073130 /nfs/dbraw/zinc/07/31/30/785073130.db2.gz PNRXXKMQOOGYIW-INIZCTEOSA-N 0 3 317.433 2.180 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001008110960 785109389 /nfs/dbraw/zinc/10/93/89/785109389.db2.gz ZXWWQHRMBWILNM-INIZCTEOSA-N 0 3 322.412 2.294 20 30 DEEDHN N#Cc1c2c(cnc1N1CCCc3ccc(CN)nc31)CCC2 ZINC001169590783 785252106 /nfs/dbraw/zinc/25/21/06/785252106.db2.gz PTXMJHSDBQNOGL-UHFFFAOYSA-N 0 3 305.385 2.380 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001008870691 785318511 /nfs/dbraw/zinc/31/85/11/785318511.db2.gz PWEVEXROLOWJLN-MRXNPFEDSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001008873212 785320687 /nfs/dbraw/zinc/32/06/87/785320687.db2.gz AJKIHTLGCJCQJR-DOTOQJQBSA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001009071431 785378140 /nfs/dbraw/zinc/37/81/40/785378140.db2.gz FSKZGLMWIKSCFO-HOTGVXAUSA-N 0 3 324.428 2.201 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001091343571 791115759 /nfs/dbraw/zinc/11/57/59/791115759.db2.gz HLQWOOLRZKIKQG-BLZCZZARSA-N 0 3 319.836 2.033 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CO)cc1 ZINC001109054827 785688362 /nfs/dbraw/zinc/68/83/62/785688362.db2.gz AVGNHYBAYWNALC-SQNIBIBYSA-N 0 3 314.429 2.367 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CC(C)(C)CO1 ZINC001109055231 785689644 /nfs/dbraw/zinc/68/96/44/785689644.db2.gz UJZCIKJGTHVCCN-UGUYLWEFSA-N 0 3 306.450 2.489 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](OCC)C(C)C)C2 ZINC001109399433 785850660 /nfs/dbraw/zinc/85/06/60/785850660.db2.gz JXFWXDWFGURYIO-LTIDMASMSA-N 0 3 306.450 2.182 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN([C@@H]3CCc4ccccc43)C2)[nH]1 ZINC001010655986 785888329 /nfs/dbraw/zinc/88/83/29/785888329.db2.gz KUXYTDDZVRYNON-MAUKXSAKSA-N 0 3 320.396 2.378 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncc(C)c1)C2 ZINC001109510159 785907737 /nfs/dbraw/zinc/90/77/37/785907737.db2.gz YMQJBHZILNQWKL-SQNIBIBYSA-N 0 3 311.429 2.067 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1cccnc1)C2 ZINC001109802361 786066210 /nfs/dbraw/zinc/06/62/10/786066210.db2.gz QLUZGKMLNFJFIH-RANZSIQMSA-N 0 3 311.429 2.320 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001109822932 786075878 /nfs/dbraw/zinc/07/58/78/786075878.db2.gz LHFMTLCGWXUBPE-WKULXVSPSA-N 0 3 318.461 2.347 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001109928017 786102886 /nfs/dbraw/zinc/10/28/86/786102886.db2.gz CQRGDWCRDLXFLT-NCOADZHNSA-N 0 3 318.461 2.491 20 30 DEEDHN C#CCCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001157164602 786188922 /nfs/dbraw/zinc/18/89/22/786188922.db2.gz VITUXKYMOMKMIN-UHFFFAOYSA-N 0 3 301.365 2.097 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2occc2CN(C)C)CC1 ZINC001113263113 786489736 /nfs/dbraw/zinc/48/97/36/786489736.db2.gz GZPUSIANGAHFSN-OAHLLOKOSA-N 0 3 319.449 2.454 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001014642127 786674602 /nfs/dbraw/zinc/67/46/02/786674602.db2.gz BTGKTPYUJSWXOL-INIZCTEOSA-N 0 3 300.377 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001014672341 786694479 /nfs/dbraw/zinc/69/44/79/786694479.db2.gz IELFFGVSUIRPQU-FUHWJXTLSA-N 0 3 313.445 2.422 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001014730074 786730262 /nfs/dbraw/zinc/73/02/62/786730262.db2.gz YYAQLKKZZPBVNO-NFSPANSCSA-N 0 3 300.446 2.273 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC001113621982 786732422 /nfs/dbraw/zinc/73/24/22/786732422.db2.gz APYMYGGFMXLSHG-CQSZACIVSA-N 0 3 318.465 2.458 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001014846001 786775081 /nfs/dbraw/zinc/77/50/81/786775081.db2.gz XSTVDWRIZOJKGU-VIFPVBQESA-N 0 3 303.284 2.074 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cn(CC)c3ccccc23)C1 ZINC001015176316 786928156 /nfs/dbraw/zinc/92/81/56/786928156.db2.gz WIAXDYSRXBTBOZ-OAHLLOKOSA-N 0 3 309.413 2.489 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001015209209 786937954 /nfs/dbraw/zinc/93/79/54/786937954.db2.gz RWSHWWVZNYBNNX-HIFRSBDPSA-N 0 3 318.392 2.458 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015243062 786956161 /nfs/dbraw/zinc/95/61/61/786956161.db2.gz OHAVEBMCWJCXCM-OAHLLOKOSA-N 0 3 304.821 2.405 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015392813 787030349 /nfs/dbraw/zinc/03/03/49/787030349.db2.gz QNSDCRLWGLZYJQ-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc(F)c(F)c2)c1 ZINC001129484200 787216642 /nfs/dbraw/zinc/21/66/42/787216642.db2.gz KBIARTZMIKFCDB-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001170452624 787221994 /nfs/dbraw/zinc/22/19/94/787221994.db2.gz AIBYOKAUGMTHTP-GUYCJALGSA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001129514207 787222956 /nfs/dbraw/zinc/22/29/56/787222956.db2.gz PPHHAPQMORVHTK-UHFFFAOYSA-N 0 3 308.385 2.065 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CCCC23CC3)ccc1F ZINC001130208035 787314993 /nfs/dbraw/zinc/31/49/93/787314993.db2.gz BAIISDBYTSCNMW-HNNXBMFYSA-N 0 3 315.392 2.483 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)/C(C)=C/CC)C1 ZINC001130355248 787358604 /nfs/dbraw/zinc/35/86/04/787358604.db2.gz LBVWXNJYYLWIMQ-YGLIYXGISA-N 0 3 302.422 2.358 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2ccccc2)C1 ZINC001130399443 787386655 /nfs/dbraw/zinc/38/66/55/787386655.db2.gz VTPNVAZVVNRXLF-MRXNPFEDSA-N 0 3 324.428 2.244 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3nc[nH]c31)C2 ZINC001095995090 787440280 /nfs/dbraw/zinc/44/02/80/787440280.db2.gz XYJIQSXZBCQDQG-VRKREXBASA-N 0 3 314.433 2.127 20 30 DEEDHN C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)CC(C)C)n1 ZINC001130875856 787489584 /nfs/dbraw/zinc/48/95/84/787489584.db2.gz GFUZOHTVBUETRN-LSDHHAIUSA-N 0 3 320.437 2.143 20 30 DEEDHN C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)CC(C)C)n1 ZINC001130866116 787490911 /nfs/dbraw/zinc/49/09/11/787490911.db2.gz GFUZOHTVBUETRN-GJZGRUSLSA-N 0 3 320.437 2.143 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001130990804 787520690 /nfs/dbraw/zinc/52/06/90/787520690.db2.gz JQPYRXXKXKRFPL-ZDUSSCGKSA-N 0 3 313.401 2.202 20 30 DEEDHN C=CCOCCN1CC[C@]2(C1)CN(C(=O)CCCC)C[C@H](C)O2 ZINC001131629248 787665367 /nfs/dbraw/zinc/66/53/67/787665367.db2.gz ODZOWTPYYMFGQU-WMZOPIPTSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)COC3)C2 ZINC001096430230 787665558 /nfs/dbraw/zinc/66/55/58/787665558.db2.gz PCTXUIWEQQSNGY-QYZOEREBSA-N 0 3 324.424 2.004 20 30 DEEDHN C=CCCN1CC[C@]2(C1)CN(C(=O)CCCC(C)=O)C[C@@H](C)O2 ZINC001131623787 787665888 /nfs/dbraw/zinc/66/58/88/787665888.db2.gz BDMMXKGYCRJVIM-AEFFLSMTSA-N 0 3 322.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@H](C)O2 ZINC001131632972 787666654 /nfs/dbraw/zinc/66/66/54/787666654.db2.gz OWBDDTJWNSAMME-FUHWJXTLSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OCC)C2 ZINC001096466907 787682763 /nfs/dbraw/zinc/68/27/63/787682763.db2.gz FQVZLHNDBZHUGM-PVAVHDDUSA-N 0 3 312.413 2.444 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001131751879 787716949 /nfs/dbraw/zinc/71/69/49/787716949.db2.gz NZRXOEVTFGRKRE-DOTOQJQBSA-N 0 3 302.418 2.472 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3oc(C)nc31)C2 ZINC001096634871 787774801 /nfs/dbraw/zinc/77/48/01/787774801.db2.gz DVAXAVRSZBKHPT-KBMXLJTQSA-N 0 3 323.396 2.495 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC2CC2)C1 ZINC001131996805 787873481 /nfs/dbraw/zinc/87/34/81/787873481.db2.gz YEUQHHQTHGRGNN-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=C)C)C2)CCOCC1 ZINC001132094942 787925607 /nfs/dbraw/zinc/92/56/07/787925607.db2.gz RDSRWPFNIJYQKU-IAGOWNOFSA-N 0 3 318.461 2.352 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(C#N)s2)cc1 ZINC001132215722 787975246 /nfs/dbraw/zinc/97/52/46/787975246.db2.gz HCFQRZRSQNEZET-UHFFFAOYSA-N 0 3 309.394 2.121 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@H]1C ZINC001132240304 787992343 /nfs/dbraw/zinc/99/23/43/787992343.db2.gz FESXJOBAXQTZAE-GDBMZVCRSA-N 0 3 317.433 2.265 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)o1)C2 ZINC001097247660 788037218 /nfs/dbraw/zinc/03/72/18/788037218.db2.gz FZFKIQIGFBRDNS-MCIONIFRSA-N 0 3 301.390 2.463 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2c(C)noc2C)CC[C@H]1C ZINC001132478537 788096650 /nfs/dbraw/zinc/09/66/50/788096650.db2.gz LQANMRDBKYAYSJ-IUODEOHRSA-N 0 3 305.422 2.379 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCn2cc(C)cn2)CC[C@H]1C ZINC001132518397 788106543 /nfs/dbraw/zinc/10/65/43/788106543.db2.gz KRCDWSOMMZPKFV-CVEARBPZSA-N 0 3 304.438 2.127 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCn2cc(Cl)cn2)CC[C@@H]1C ZINC001132504356 788107386 /nfs/dbraw/zinc/10/73/86/788107386.db2.gz HXCDSEFZAOTQLK-DZGCQCFKSA-N 0 3 324.856 2.472 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCn2cc(Cl)cn2)CC[C@H]1C ZINC001132505552 788108010 /nfs/dbraw/zinc/10/80/10/788108010.db2.gz SZBGDKYELLZCBT-OCCSQVGLSA-N 0 3 310.829 2.082 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCO)C2)CCCCC1 ZINC001132508174 788110121 /nfs/dbraw/zinc/11/01/21/788110121.db2.gz DQEHIHAYBLUFKN-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2cncc(F)c2)CC[C@@H]1C ZINC001132543098 788119123 /nfs/dbraw/zinc/11/91/23/788119123.db2.gz VFCZHNHADMFUIC-XJKSGUPXSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3ccccc13)C2 ZINC001097511296 788122546 /nfs/dbraw/zinc/12/25/46/788122546.db2.gz KNHIUXKCXUAKRG-KYJSFNMBSA-N 0 3 307.397 2.298 20 30 DEEDHN CCC1(C(=O)NCCNCc2ccc(F)c(C#N)c2)CCC1 ZINC001132577585 788136616 /nfs/dbraw/zinc/13/66/16/788136616.db2.gz WJKQWFQFXSWRCK-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132591051 788140609 /nfs/dbraw/zinc/14/06/09/788140609.db2.gz GCICGGMDKMSPSW-UHFFFAOYSA-N 0 3 301.365 2.097 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CCCC1CC1 ZINC001132620593 788144311 /nfs/dbraw/zinc/14/43/11/788144311.db2.gz PUGCIHPJKJAGNU-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001132670939 788161541 /nfs/dbraw/zinc/16/15/41/788161541.db2.gz HEAJXKFSEPGNLG-HZPDHXFCSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001132859537 788209855 /nfs/dbraw/zinc/20/98/55/788209855.db2.gz FEPJDXQZDCNSDY-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2Cc3ccc(F)cc32)c1 ZINC001132916862 788224125 /nfs/dbraw/zinc/22/41/25/788224125.db2.gz SLBXXPLODMIZMZ-GOSISDBHSA-N 0 3 323.371 2.243 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001098007740 788326622 /nfs/dbraw/zinc/32/66/22/788326622.db2.gz BZVDSQORJOSKQJ-ALYAQQCSSA-N 0 3 324.440 2.439 20 30 DEEDHN CC1(C(=O)NCCNCc2ccc(F)c(C#N)c2)CC=CC1 ZINC001133327516 788363254 /nfs/dbraw/zinc/36/32/54/788363254.db2.gz ASMPUZTXRYSRTP-UHFFFAOYSA-N 0 3 301.365 2.259 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001133380356 788392459 /nfs/dbraw/zinc/39/24/59/788392459.db2.gz DUJIXBGPILQSMB-SFHVURJKSA-N 0 3 318.417 2.266 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNCC(=O)N1CCCCCCC1 ZINC001133381096 788394873 /nfs/dbraw/zinc/39/48/73/788394873.db2.gz VYWNSJXSUNUENR-SFHVURJKSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)C1 ZINC001133570180 788492560 /nfs/dbraw/zinc/49/25/60/788492560.db2.gz NEQVOHIVHARCTJ-UHFFFAOYSA-N 0 3 303.362 2.157 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2CC3(CC3)C2)cc1F ZINC001133646631 788537332 /nfs/dbraw/zinc/53/73/32/788537332.db2.gz UTUKKULHWLIXGD-UHFFFAOYSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CCCOC ZINC001133792619 788609220 /nfs/dbraw/zinc/60/92/20/788609220.db2.gz BJGWSUASKCKEEV-NEPJUHHUSA-N 0 3 321.259 2.195 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(CC)nc1C ZINC001133909859 788667943 /nfs/dbraw/zinc/66/79/43/788667943.db2.gz RVZJUNNBVNHSAT-OLZOCXBDSA-N 0 3 323.437 2.121 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)s1)C(C)(F)F ZINC001133968350 788696300 /nfs/dbraw/zinc/69/63/00/788696300.db2.gz VZZURZKQTZIXLF-SECBINFHSA-N 0 3 301.362 2.117 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001134061950 788743094 /nfs/dbraw/zinc/74/30/94/788743094.db2.gz LAGKCTLDNKKDSL-WQVCFCJDSA-N 0 3 306.381 2.184 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccnc1C ZINC001134119890 788771388 /nfs/dbraw/zinc/77/13/88/788771388.db2.gz YUIIGLINMNERSS-CABCVRRESA-N 0 3 316.449 2.352 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001134206563 788800524 /nfs/dbraw/zinc/80/05/24/788800524.db2.gz WNBVARXUIHZWSI-HUUCEWRRSA-N 0 3 304.438 2.079 20 30 DEEDHN C[C@@H](Cc1ccco1)C(=O)NCCNCc1ccc(C#N)s1 ZINC001135182912 789234069 /nfs/dbraw/zinc/23/40/69/789234069.db2.gz HJPPWMZUIUDDJA-LBPRGKRZSA-N 0 3 317.414 2.297 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(OC)no1 ZINC001135224300 789247374 /nfs/dbraw/zinc/24/73/74/789247374.db2.gz AWRIERPONPPRLQ-KBPBESRZSA-N 0 3 321.421 2.250 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001070404929 789314130 /nfs/dbraw/zinc/31/41/30/789314130.db2.gz UMAIMBGJJNGHFE-JSGCOSHPSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2cocc2C)C1 ZINC001070420241 789319371 /nfs/dbraw/zinc/31/93/71/789319371.db2.gz ULGBJNFBNGDYGM-ZDUSSCGKSA-N 0 3 314.389 2.216 20 30 DEEDHN CC[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001135864143 789529056 /nfs/dbraw/zinc/52/90/56/789529056.db2.gz SDUFZBDQCSAFAV-KBPBESRZSA-N 0 3 317.433 2.455 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cncs1)C[C@H](C)O2 ZINC001071144780 789557845 /nfs/dbraw/zinc/55/78/45/789557845.db2.gz URWPTPKUECENLR-XJKSGUPXSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1CC=CC1)C[C@@H](C)O2 ZINC001071149974 789559203 /nfs/dbraw/zinc/55/92/03/789559203.db2.gz VGVPEFHJGAJCBI-CRAIPNDOSA-N 0 3 304.434 2.221 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC1(C)CC1)C[C@H](C)O2 ZINC001071193185 789582639 /nfs/dbraw/zinc/58/26/39/789582639.db2.gz XXNYNJZAGQKXRU-YJBOKZPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cc(C)co1)C[C@@H](C)O2 ZINC001071198639 789586898 /nfs/dbraw/zinc/58/68/98/789586898.db2.gz BHNVQRBDSHLSLC-QAPCUYQASA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CF)CC1)C[C@H](C)O2 ZINC001071213403 789598323 /nfs/dbraw/zinc/59/83/23/789598323.db2.gz DVCACVTVGYMYNV-WMLDXEAASA-N 0 3 310.413 2.004 20 30 DEEDHN CC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(OCC#N)cc2)C1 ZINC001071282947 789624899 /nfs/dbraw/zinc/62/48/99/789624899.db2.gz QXSULCSHKKFINF-CJNGLKHVSA-N 0 3 301.390 2.078 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(Cl)cnn2CC)CC[C@@H]1C ZINC001071531765 789762854 /nfs/dbraw/zinc/76/28/54/789762854.db2.gz PTJAZMNSKCCVJY-QWHCGFSZSA-N 0 3 322.840 2.162 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnn2C(C)C)CC[C@H]1C ZINC001071537485 789766889 /nfs/dbraw/zinc/76/68/89/789766889.db2.gz ZXQOIHKFAQKDGY-HUUCEWRRSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2cc(C3CC3)no2)CC[C@@H]1C ZINC001071561831 789781858 /nfs/dbraw/zinc/78/18/58/789781858.db2.gz WDEAXGAWYFILPR-DZGCQCFKSA-N 0 3 315.417 2.087 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncc(C)cc2OC)CC[C@@H]1C ZINC001071574390 789788652 /nfs/dbraw/zinc/78/86/52/789788652.db2.gz NEUWZEVMWVYAME-LSDHHAIUSA-N 0 3 315.417 2.005 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)c2[nH]nc(CC)c2Cl)CC[C@@H]1C ZINC001071576320 789789863 /nfs/dbraw/zinc/78/98/63/789789863.db2.gz CFTHJVKJORGUAV-NWDGAFQWSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)CC[C@H]1C ZINC001071601205 789805499 /nfs/dbraw/zinc/80/54/99/789805499.db2.gz XVSXHNCXZNYLML-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn3cc(C)ccc3n2)CC[C@H]1C ZINC001071602796 789806544 /nfs/dbraw/zinc/80/65/44/789806544.db2.gz LGZIXUKFJBXGOB-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@@H]1C ZINC001071667130 789851682 /nfs/dbraw/zinc/85/16/82/789851682.db2.gz UMONIJBFFAYRNS-DZGCQCFKSA-N 0 3 318.417 2.415 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)CC[C@H]1C ZINC001071693587 789870613 /nfs/dbraw/zinc/87/06/13/789870613.db2.gz SSTVXGWUBZBBER-DOMZBBRYSA-N 0 3 303.406 2.118 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)CC[C@H]1C ZINC001071841575 789939333 /nfs/dbraw/zinc/93/93/33/789939333.db2.gz XVJQATPROYITQG-PBHICJAKSA-N 0 3 312.413 2.228 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cn2cc(Cl)cn2)CC[C@@H]1C ZINC001071854535 789944622 /nfs/dbraw/zinc/94/46/22/789944622.db2.gz BTNGSXIZDAUKHG-GXTWGEPZSA-N 0 3 310.829 2.082 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn3ccccc23)CC[C@@H]1C ZINC001071901732 789965241 /nfs/dbraw/zinc/96/52/41/789965241.db2.gz VUZXCFWQJXWDEX-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncccc2Cl)CC[C@@H]1C ZINC001072009293 790011150 /nfs/dbraw/zinc/01/11/50/790011150.db2.gz UJBVCUCUXZKQLN-QWHCGFSZSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2OC)CC[C@H]1C ZINC001072013123 790012793 /nfs/dbraw/zinc/01/27/93/790012793.db2.gz WPJYOWVBKTXOQK-HUUCEWRRSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(OC)c2)CC[C@@H]1C ZINC001072019220 790014894 /nfs/dbraw/zinc/01/48/94/790014894.db2.gz FKMNZSQESGVPAG-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]nc3ccccc32)CC[C@H]1C ZINC001072040762 790028969 /nfs/dbraw/zinc/02/89/69/790028969.db2.gz MWJYEVSXZGHAKJ-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)CC[C@H]1C ZINC001072096015 790050602 /nfs/dbraw/zinc/05/06/02/790050602.db2.gz SALMJGKAFIPODR-CABCVRRESA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ncnc4ccsc43)C2)C1 ZINC001072803093 790251207 /nfs/dbraw/zinc/25/12/07/790251207.db2.gz BTCRUXXGNKHQBL-UHFFFAOYSA-N 0 3 314.414 2.025 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCc3ccsc3)C2)C1 ZINC001072815758 790258183 /nfs/dbraw/zinc/25/81/83/790258183.db2.gz GFRSWBORUMRRGE-UHFFFAOYSA-N 0 3 302.443 2.238 20 30 DEEDHN CC(=O)Nc1ccc(NC(=N)c2ccc(C(N)=O)cc2)cc1C ZINC001171256334 791155583 /nfs/dbraw/zinc/15/55/83/791155583.db2.gz GWOLFUSEEPNNAZ-UHFFFAOYSA-N 0 3 310.357 2.089 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001075018286 791432243 /nfs/dbraw/zinc/43/22/43/791432243.db2.gz ZCOYVISSYSDSOK-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001075032340 791436836 /nfs/dbraw/zinc/43/68/36/791436836.db2.gz PKTHJKVVSJBWJU-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COCc3ccc(C)cc3)C2)C1 ZINC001147665889 791591468 /nfs/dbraw/zinc/59/14/68/791591468.db2.gz VXEDYUWIXRNTSX-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc(C)co1)C[C@H](C)O2 ZINC001098627210 791666225 /nfs/dbraw/zinc/66/62/25/791666225.db2.gz LOZBAPHQURVMRB-HNNXBMFYSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC13CCC3)C[C@@H](C)O2 ZINC001098642722 791667968 /nfs/dbraw/zinc/66/79/68/791667968.db2.gz KBYGUAMJNDKJLT-HZPDHXFCSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(F)c2)C1 ZINC001098783686 791705897 /nfs/dbraw/zinc/70/58/97/791705897.db2.gz MWOPTTJAZARJEX-YOEHRIQHSA-N 0 3 303.381 2.381 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(C#N)cc1)C(F)(F)F ZINC001148542239 791768019 /nfs/dbraw/zinc/76/80/19/791768019.db2.gz 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791912414 /nfs/dbraw/zinc/91/24/14/791912414.db2.gz OSNXEMQEZZNUOU-CSKOPFHVSA-N 0 3 306.425 2.318 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3sc(CC)nc3C)C[C@]2(C)C1 ZINC001092094589 791931163 /nfs/dbraw/zinc/93/11/63/791931163.db2.gz OASDZZVOHDRIDC-DYVFJYSZSA-N 0 3 317.458 2.041 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@]2(C)C1 ZINC001092098488 791931976 /nfs/dbraw/zinc/93/19/76/791931976.db2.gz UOSACCQETXEDDV-PBHICJAKSA-N 0 3 317.820 2.152 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc4cnccc43)C[C@]2(C)C1 ZINC001092276589 791959994 /nfs/dbraw/zinc/95/99/94/791959994.db2.gz UYMPQNBPAUJJEQ-UZLBHIALSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(C)C(C)(C)C3(C)C)C[C@]2(C)C1 ZINC001092326143 791988380 /nfs/dbraw/zinc/98/83/80/791988380.db2.gz FKOBSMRHKVXFSU-KDOFPFPSSA-N 0 3 302.462 2.472 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001099064021 792071475 /nfs/dbraw/zinc/07/14/75/792071475.db2.gz MMKWFAZZSUGCSG-YJBOKZPZSA-N 0 3 312.417 2.124 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccoc2C(F)(F)F)[C@H](C)C1 ZINC001092641957 792093144 /nfs/dbraw/zinc/09/31/44/792093144.db2.gz ZLPATWUUKKWIHI-GHMZBOCLSA-N 0 3 314.307 2.229 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(OC)c2)C1 ZINC001099133826 792110865 /nfs/dbraw/zinc/11/08/65/792110865.db2.gz ADHUAQYCIXLIGO-YJBOKZPZSA-N 0 3 300.402 2.466 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001099145782 792114145 /nfs/dbraw/zinc/11/41/45/792114145.db2.gz NBGIEUGCITXBFX-LIRRHRJNSA-N 0 3 322.412 2.171 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001099189501 792131614 /nfs/dbraw/zinc/13/16/14/792131614.db2.gz WKXSUPSMRNEBQF-ZVZYQTTQSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ncccc2C)C[C@H]1C(F)(F)F ZINC001099234737 792145319 /nfs/dbraw/zinc/14/53/19/792145319.db2.gz XYKWJHCTBDRXIP-VXGBXAGGSA-N 0 3 313.323 2.169 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC001099236832 792148439 /nfs/dbraw/zinc/14/84/39/792148439.db2.gz RBPOYRYDYRYIHE-JHJVBQTASA-N 0 3 320.355 2.111 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1C(F)(F)F ZINC001099243877 792149269 /nfs/dbraw/zinc/14/92/69/792149269.db2.gz OQLPHGHBEFESOG-MWLCHTKSSA-N 0 3 319.352 2.230 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001099252644 792153387 /nfs/dbraw/zinc/15/33/87/792153387.db2.gz YPZSYKVLCXAYQQ-AWEZNQCLSA-N 0 3 324.856 2.329 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C(F)(F)F ZINC001099305164 792166742 /nfs/dbraw/zinc/16/67/42/792166742.db2.gz KXOXXSVUWZMNON-GHMZBOCLSA-N 0 3 308.319 2.291 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1C(F)(F)F ZINC001099305533 792167025 /nfs/dbraw/zinc/16/70/25/792167025.db2.gz QHSFUANGLXEXMB-VXGBXAGGSA-N 0 3 316.323 2.295 20 30 DEEDHN CCCN(C)CC(=O)NCC[C@H](C)Nc1cccc(F)c1C#N ZINC001099355174 792181200 /nfs/dbraw/zinc/18/12/00/792181200.db2.gz CFLIIJGEDHOHDA-ZDUSSCGKSA-N 0 3 320.412 2.346 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(F)ccc2Cl)[C@H](C)C1 ZINC001092998005 792195234 /nfs/dbraw/zinc/19/52/34/792195234.db2.gz AJLKZXLWZRGLOC-VXGBXAGGSA-N 0 3 308.784 2.410 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC001099974151 792425562 /nfs/dbraw/zinc/42/55/62/792425562.db2.gz NVBOTAFPUGJQIZ-ROUUACIJSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CCCCC(=O)NCC1CC(N[C@@H](C)c2cnc(C)cn2)C1 ZINC001100284439 792564508 /nfs/dbraw/zinc/56/45/08/792564508.db2.gz OQWVLIKKSDQMTG-FHERZECASA-N 0 3 314.433 2.134 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C#CC(C)C)C1 ZINC001100309507 792582617 /nfs/dbraw/zinc/58/26/17/792582617.db2.gz YNQMRTVEVRENTF-UHFFFAOYSA-N 0 3 313.239 2.039 20 30 DEEDHN C#CCC1(C(=O)NCC2CC(NCc3ccns3)C2)CCC1 ZINC001100396459 792627483 /nfs/dbraw/zinc/62/74/83/792627483.db2.gz CPWHKELMESDTLM-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cccnc2OC)C1 ZINC001100564582 792723383 /nfs/dbraw/zinc/72/33/83/792723383.db2.gz MREAQMOGLHVUMA-UHFFFAOYSA-N 0 3 317.433 2.287 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100567871 792723893 /nfs/dbraw/zinc/72/38/93/792723893.db2.gz GGIQOBSQWDZJNW-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001100804513 792857165 /nfs/dbraw/zinc/85/71/65/792857165.db2.gz QAIGLDWAXFOUCL-PIMMBPRGSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001100884301 792895277 /nfs/dbraw/zinc/89/52/77/792895277.db2.gz RXBBYFNWEBMFKB-DNOWBOINSA-N 0 3 307.825 2.422 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3ncoc3CC)CCC[C@@H]12 ZINC001094381463 792900113 /nfs/dbraw/zinc/90/01/13/792900113.db2.gz OOIOWCCNSKUVRG-CRAIPNDOSA-N 0 3 315.417 2.235 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3conc3C(C)C)CCC[C@@H]12 ZINC001094433894 792917609 /nfs/dbraw/zinc/91/76/09/792917609.db2.gz IAOLAYGOLXSEJX-CRAIPNDOSA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)C(C)(C)F)c2)C1 ZINC001101088301 793011868 /nfs/dbraw/zinc/01/18/68/793011868.db2.gz FWQDUFXQRUXLQR-HNNXBMFYSA-N 0 3 321.396 2.085 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101252639 793086459 /nfs/dbraw/zinc/08/64/59/793086459.db2.gz SBOHYLCMMCVWPD-APWZRJJASA-N 0 3 318.461 2.019 20 30 DEEDHN CCCC(C)(C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101348877 793130571 /nfs/dbraw/zinc/13/05/71/793130571.db2.gz MAQUFNACILXBMI-APWZRJJASA-N 0 3 320.477 2.243 20 30 DEEDHN CC(C)C(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001101727394 793344372 /nfs/dbraw/zinc/34/43/72/793344372.db2.gz VCDMPYXXFABWLN-CHWSQXEVSA-N 0 3 305.447 2.460 20 30 DEEDHN C=CCN1CCC[C@H](N[C@H]2CSc3ccccc3C2)C1=O ZINC001172201161 793378352 /nfs/dbraw/zinc/37/83/52/793378352.db2.gz MVQOGNNXIGGJJC-CABCVRRESA-N 0 3 302.443 2.470 20 30 DEEDHN Cc1ncoc1CN1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101955030 793460010 /nfs/dbraw/zinc/46/00/10/793460010.db2.gz PDUICZGVQHZXHP-UKRRQHHQSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN([C@@H]2CCc3ncsc3C2)C1 ZINC001173148160 793606147 /nfs/dbraw/zinc/60/61/47/793606147.db2.gz SOCLNHCBSXNRIO-QWHCGFSZSA-N 0 3 321.446 2.377 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102529543 793643455 /nfs/dbraw/zinc/64/34/55/793643455.db2.gz GVCCKYYSAZIEGP-BRWVUGGUSA-N 0 3 322.493 2.393 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N[O-] ZINC001173229168 793644274 /nfs/dbraw/zinc/64/42/74/793644274.db2.gz QYPVHWZFAWZJJV-WDMOLILDSA-N 0 3 309.366 2.036 20 30 DEEDHN C[C@@H]1CN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001173429902 793728779 /nfs/dbraw/zinc/72/87/79/793728779.db2.gz FSMPLTIOSFMROF-DYVFJYSZSA-N 0 3 315.392 2.453 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCOC2)C1 ZINC001102809971 793768609 /nfs/dbraw/zinc/76/86/09/793768609.db2.gz OQCLJPWCQLAHAS-VHDGCEQUSA-N 0 3 314.857 2.240 20 30 DEEDHN CC(C)C#CC(=O)NCC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001102957817 793836195 /nfs/dbraw/zinc/83/61/95/793836195.db2.gz YCJJZQUSNOFOAN-HUUCEWRRSA-N 0 3 319.474 2.377 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H]2CN(CCF)C[C@H]2C)cc1 ZINC001103300931 794030035 /nfs/dbraw/zinc/03/00/35/794030035.db2.gz HGCGXPNIZIVCMR-RHSMWYFYSA-N 0 3 302.393 2.325 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174799447 794078827 /nfs/dbraw/zinc/07/88/27/794078827.db2.gz VXFKBABQSUNWNA-CQSZACIVSA-N 0 3 319.453 2.071 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001174978241 794109938 /nfs/dbraw/zinc/10/99/38/794109938.db2.gz JADBGMLRBZGCQX-GJZGRUSLSA-N 0 3 321.469 2.497 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174978393 794112622 /nfs/dbraw/zinc/11/26/22/794112622.db2.gz MNXFSQQXUSWKOP-ZDUSSCGKSA-N 0 3 307.442 2.234 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCC(C)C)C2 ZINC001110184839 794181452 /nfs/dbraw/zinc/18/14/52/794181452.db2.gz YSFDUVPORXDBIQ-YVSFHVDLSA-N 0 3 306.450 2.182 20 30 DEEDHN C#Cc1nccnc1Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001175779754 794286986 /nfs/dbraw/zinc/28/69/86/794286986.db2.gz UMCVQDRGODAVQX-UHFFFAOYSA-N 0 3 307.401 2.343 20 30 DEEDHN CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001103901184 794293102 /nfs/dbraw/zinc/29/31/02/794293102.db2.gz PVIFMRKXJATIJE-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001103991816 794338644 /nfs/dbraw/zinc/33/86/44/794338644.db2.gz YIBGKSIVTVLMSS-TZMCWYRMSA-N 0 3 300.830 2.016 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1C ZINC001104015418 794347492 /nfs/dbraw/zinc/34/74/92/794347492.db2.gz PVDMASXQYUBYIJ-QMTHXVAHSA-N 0 3 324.856 2.467 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001104085801 794374878 /nfs/dbraw/zinc/37/48/78/794374878.db2.gz KVTNJRXTFBNKMP-DGCLKSJQSA-N 0 3 320.824 2.327 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C ZINC001104112743 794382268 /nfs/dbraw/zinc/38/22/68/794382268.db2.gz STUBOIXOLRXLKP-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN CCCCOCCN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741777 794465088 /nfs/dbraw/zinc/46/50/88/794465088.db2.gz OMXYLKWEWQPRKG-HKUYNNGSSA-N 0 3 318.461 2.187 20 30 DEEDHN Cc1oncc1CNCCCNC(=O)CC#Cc1ccccc1 ZINC001176768407 794501624 /nfs/dbraw/zinc/50/16/24/794501624.db2.gz VVVVPOZUMWTZAZ-UHFFFAOYSA-N 0 3 311.385 2.021 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2ccco2)C1 ZINC001111902730 794521666 /nfs/dbraw/zinc/52/16/66/794521666.db2.gz ORTKZMYNBZRWEZ-GJYPPUQNSA-N 0 3 314.429 2.452 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2nccs2)C1 ZINC001111994438 794542157 /nfs/dbraw/zinc/54/21/57/794542157.db2.gz ISGIPEUKNLGOSH-YOEHRIQHSA-N 0 3 317.458 2.070 20 30 DEEDHN CCN(C)C(C)(C)C(=O)N(CCCNCC#N)CC1CCCC1 ZINC001177352541 794653145 /nfs/dbraw/zinc/65/31/45/794653145.db2.gz ALDOBJJAONLZMB-UHFFFAOYSA-N 0 3 322.497 2.239 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC001177468640 794673234 /nfs/dbraw/zinc/67/32/34/794673234.db2.gz UYKAGLKWBYNPPL-IUODEOHRSA-N 0 3 308.809 2.400 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c(C)s1 ZINC001115213274 794706407 /nfs/dbraw/zinc/70/64/07/794706407.db2.gz SCEHJXYRVSTSCE-FOLVSLTJSA-N 0 3 320.458 2.228 20 30 DEEDHN C#CCC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001115413096 794764534 /nfs/dbraw/zinc/76/45/34/794764534.db2.gz PHCSHZXQHWQCPG-UHFFFAOYSA-N 0 3 300.402 2.438 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)N(C(=N)N)c1ccccc1F ZINC001177916778 794776714 /nfs/dbraw/zinc/77/67/14/794776714.db2.gz ZVYLFWKWFPHVJN-SNVBAGLBSA-N 0 3 316.361 2.496 20 30 DEEDHN C=CCCC(=O)NCCCCCCN[C@@H](C)c1nncn1C ZINC001178007363 794794629 /nfs/dbraw/zinc/79/46/29/794794629.db2.gz BJDXLQFVMSIMAT-AWEZNQCLSA-N 0 3 307.442 2.109 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCCC1 ZINC001115680341 794876616 /nfs/dbraw/zinc/87/66/16/794876616.db2.gz ZDOLWPRVBUZCOF-WDNDVIMCSA-N 0 3 312.841 2.040 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCCCCCNCc1cc(C)no1 ZINC001178335262 794891364 /nfs/dbraw/zinc/89/13/64/794891364.db2.gz VAIBMHLNBAQFIN-KRWDZBQOSA-N 0 3 323.437 2.076 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NCCC(C)C)[C@@H]1C ZINC001178316114 794898093 /nfs/dbraw/zinc/89/80/93/794898093.db2.gz VSPWLTRROBTEPS-PMPSAXMXSA-N 0 3 323.481 2.082 20 30 DEEDHN CCOCCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178327940 794900739 /nfs/dbraw/zinc/90/07/39/794900739.db2.gz FEHZQPVSPHCGDV-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN N#Cc1ccc(CNCCN2C(=O)COc3ccccc32)cc1 ZINC001116475633 794958883 /nfs/dbraw/zinc/95/88/83/794958883.db2.gz ABBFZCCIWXTVQV-UHFFFAOYSA-N 0 3 307.353 2.073 20 30 DEEDHN C=CCCOCCCCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001178703835 794981727 /nfs/dbraw/zinc/98/17/27/794981727.db2.gz DZVUYLQVIJBMJX-GJZGRUSLSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179340276 795102618 /nfs/dbraw/zinc/10/26/18/795102618.db2.gz XQXXGJFSDIFXOK-HNNXBMFYSA-N 0 3 321.469 2.184 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)CCCn2ccnc2C)[C@H]1C ZINC001179719822 795164555 /nfs/dbraw/zinc/16/45/55/795164555.db2.gz PUKTUCPCTAVAKF-ZFWWWQNUSA-N 0 3 324.856 2.303 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)CCCCC(C)C)[C@H]1C ZINC001179744546 795170804 /nfs/dbraw/zinc/17/08/04/795170804.db2.gz VLXAJOSONRAUEE-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CCC(C(=O)NCCCN2CCC(C(=O)OC)CC2)CC1 ZINC001119517279 795315742 /nfs/dbraw/zinc/31/57/42/795315742.db2.gz QRAWDAFCIBLQIO-UHFFFAOYSA-N 0 3 322.449 2.124 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1c[nH]c2ccc(O)cc12 ZINC001180664619 795356837 /nfs/dbraw/zinc/35/68/37/795356837.db2.gz PHDSZBGLGXGRQL-AWEZNQCLSA-N 0 3 313.401 2.183 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001181469811 795477314 /nfs/dbraw/zinc/47/73/14/795477314.db2.gz SKHIAHKYILLKNN-RHSMWYFYSA-N 0 3 320.408 2.497 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@](C)(CNCc2nccn2C)C1 ZINC001181618823 795507960 /nfs/dbraw/zinc/50/79/60/795507960.db2.gz TXPMMMWNXBSVPF-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\c1ccco1)C2 ZINC001110247940 795546603 /nfs/dbraw/zinc/54/66/03/795546603.db2.gz RLQVGJNHIZJESM-WHDHVRDJSA-N 0 3 316.401 2.217 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2coc(CC)n2)CC1 ZINC001151080565 795601567 /nfs/dbraw/zinc/60/15/67/795601567.db2.gz SXVYRQRVVJVDOA-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cn(C(C)C)nc2C)C1 ZINC001182214596 795627370 /nfs/dbraw/zinc/62/73/70/795627370.db2.gz BGIQQHNOVACRGE-QGZVFWFLSA-N 0 3 316.449 2.266 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc2ccccc2n1C ZINC001182268756 795635285 /nfs/dbraw/zinc/63/52/85/795635285.db2.gz JXZXWPWYDBSOQM-INIZCTEOSA-N 0 3 311.429 2.487 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H](C#N)C1 ZINC001121496891 795639986 /nfs/dbraw/zinc/63/99/86/795639986.db2.gz KVPMMBGCGUDLPS-CABCVRRESA-N 0 3 314.437 2.013 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182388128 795666457 /nfs/dbraw/zinc/66/64/57/795666457.db2.gz BXSVWAZGLDZJGD-CQSZACIVSA-N 0 3 305.447 2.110 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2coc3cc(F)ccc23)C1 ZINC001182496451 795694695 /nfs/dbraw/zinc/69/46/95/795694695.db2.gz KZSWORTYAVMPET-OAHLLOKOSA-N 0 3 314.360 2.328 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Br)c[nH]c1=O ZINC001121990067 795712939 /nfs/dbraw/zinc/71/29/39/795712939.db2.gz ZDLCLIVKUDSTJT-VIFPVBQESA-N 0 3 314.183 2.172 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001122143967 795730341 /nfs/dbraw/zinc/73/03/41/795730341.db2.gz RZOGGSJQYKKOAJ-HRCADAONSA-N 0 3 323.481 2.191 20 30 DEEDHN CN(C(=O)C1CC1)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC001122172753 795732202 /nfs/dbraw/zinc/73/22/02/795732202.db2.gz FCGXCRJNNBYRCW-HNNXBMFYSA-N 0 3 314.389 2.019 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCC1(C(=O)OC)CCC1 ZINC001122414417 795754782 /nfs/dbraw/zinc/75/47/82/795754782.db2.gz QHOQATPHAXFLON-GFCCVEGCSA-N 0 3 316.829 2.086 20 30 DEEDHN CCOc1ccc(CCN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC001122407903 795754858 /nfs/dbraw/zinc/75/48/58/795754858.db2.gz QBXVRTARZGFYKO-MRXNPFEDSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC(=O)N[C@H](C)CCC)C1 ZINC001182894429 795776889 /nfs/dbraw/zinc/77/68/89/795776889.db2.gz XAGWEVAKEJZMHX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001183427342 795872636 /nfs/dbraw/zinc/87/26/36/795872636.db2.gz JMGHBEYKQJQQNN-GFCCVEGCSA-N 0 3 305.447 2.268 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccsc2)cc1F ZINC001123264202 795882704 /nfs/dbraw/zinc/88/27/04/795882704.db2.gz UMOOYAHFJAPFKR-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN Cc1occc1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001123282038 795884992 /nfs/dbraw/zinc/88/49/92/795884992.db2.gz QOLOQYLCWNTILN-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN COc1ccc(CNCCNC(=O)C[C@H]2C=CCC2)cc1C#N ZINC001123322883 795892830 /nfs/dbraw/zinc/89/28/30/795892830.db2.gz LAZIUJHTNAOSEN-AWEZNQCLSA-N 0 3 313.401 2.129 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001183591690 795900150 /nfs/dbraw/zinc/90/01/50/795900150.db2.gz KKTQPFHXXZJJAV-VGOKWCNXSA-N 0 3 300.377 2.443 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001183798241 795937837 /nfs/dbraw/zinc/93/78/37/795937837.db2.gz AOFFYABPYQXKED-CYBMUJFWSA-N 0 3 313.376 2.443 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cnns2)[C@H](C)C1 ZINC001184076944 795980916 /nfs/dbraw/zinc/98/09/16/795980916.db2.gz DSLNGHRDRUDSRW-CHWSQXEVSA-N 0 3 308.451 2.079 20 30 DEEDHN C=CCCC(=O)NCCNCc1cnn(Cc2ccccc2)c1 ZINC001124636623 796078287 /nfs/dbraw/zinc/07/82/87/796078287.db2.gz UDQUFRCMNRGCBD-UHFFFAOYSA-N 0 3 312.417 2.103 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001184771361 796123851 /nfs/dbraw/zinc/12/38/51/796123851.db2.gz AIKIEXNIIZBIMD-CQSZACIVSA-N 0 3 311.385 2.004 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCc3c(CN(C)C(C)C)n[nH]c3C2)C1 ZINC001184783190 796126173 /nfs/dbraw/zinc/12/61/73/796126173.db2.gz SRQCTWNKBDUOPQ-UHFFFAOYSA-N 0 3 316.449 2.491 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001185296372 796231643 /nfs/dbraw/zinc/23/16/43/796231643.db2.gz MYQMWHNWOSYXOY-OAHLLOKOSA-N 0 3 303.406 2.137 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001185295736 796232371 /nfs/dbraw/zinc/23/23/71/796232371.db2.gz BCHFNKADQFDCFM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](NCc2cnoc2C)C12CCC2 ZINC001202847939 796250813 /nfs/dbraw/zinc/25/08/13/796250813.db2.gz XZMXVHRGKKLWDK-HZPDHXFCSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCOc1ccccc1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC001139029356 796311706 /nfs/dbraw/zinc/31/17/06/796311706.db2.gz VLTPTKBTDJLWDC-MRXNPFEDSA-N 0 3 303.402 2.367 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001185931230 796340076 /nfs/dbraw/zinc/34/00/76/796340076.db2.gz COCBGSDWDAQUGX-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001185931229 796340266 /nfs/dbraw/zinc/34/02/66/796340266.db2.gz COCBGSDWDAQUGX-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnc(N)s1)C2 ZINC001139225869 796344385 /nfs/dbraw/zinc/34/43/85/796344385.db2.gz LYGCGRXNQGEERF-GDBMZVCRSA-N 0 3 323.462 2.299 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)NCc1ccccc1OC ZINC001186161206 796369584 /nfs/dbraw/zinc/36/95/84/796369584.db2.gz YFILUVPKNSRSQK-HNNXBMFYSA-N 0 3 303.406 2.145 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001186206840 796379024 /nfs/dbraw/zinc/37/90/24/796379024.db2.gz VUVOKLOGMIMFBC-HYVNUMGLSA-N 0 3 312.413 2.013 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cn2cc(C)c3ccccc32)C1 ZINC001186275869 796383670 /nfs/dbraw/zinc/38/36/70/796383670.db2.gz TZEXELUBCWFTQA-MRXNPFEDSA-N 0 3 309.413 2.164 20 30 DEEDHN C#Cc1ccc(CN[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 ZINC001202947935 796396311 /nfs/dbraw/zinc/39/63/11/796396311.db2.gz RCOPIAQVKXFLQY-SFHVURJKSA-N 0 3 314.429 2.031 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c2c(ccc1F)OCO2 ZINC001139874067 796439682 /nfs/dbraw/zinc/43/96/82/796439682.db2.gz MSPNSHFTHYNMFX-UHFFFAOYSA-N 0 3 308.353 2.134 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@@H]3C=CCC3)[C@@H]2C1 ZINC001186779117 796442604 /nfs/dbraw/zinc/44/26/04/796442604.db2.gz SGJQOBDLUPLTLU-IXDOHACOSA-N 0 3 304.434 2.078 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccccc2OCC2CC2)C1 ZINC001188064504 796622351 /nfs/dbraw/zinc/62/23/51/796622351.db2.gz RWKCZGQRYAQXEL-MRXNPFEDSA-N 0 3 312.413 2.303 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3ccccc3n2CC)C1 ZINC001188080173 796623434 /nfs/dbraw/zinc/62/34/34/796623434.db2.gz UMTZHELIHQBDNP-MRXNPFEDSA-N 0 3 309.413 2.489 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC001141581308 796678004 /nfs/dbraw/zinc/67/80/04/796678004.db2.gz YDHHRZNACRXMFV-UHFFFAOYSA-N 0 3 300.402 2.085 20 30 DEEDHN NC(=O)[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141977581 796704281 /nfs/dbraw/zinc/70/42/81/796704281.db2.gz IGYQXEORJJBPCH-OAHLLOKOSA-N 0 3 310.422 2.455 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001188886269 796737046 /nfs/dbraw/zinc/73/70/46/796737046.db2.gz VSQXDHSVIVMQEA-YESZJQIVSA-N 0 3 316.449 2.018 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001142539105 796748572 /nfs/dbraw/zinc/74/85/72/796748572.db2.gz MRVNQNNPBWRDBN-INIZCTEOSA-N 0 3 318.417 2.223 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189003469 796753701 /nfs/dbraw/zinc/75/37/01/796753701.db2.gz LRVHISOPZACYLG-WMLDXEAASA-N 0 3 315.417 2.016 20 30 DEEDHN CC(C)OCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189196700 796782170 /nfs/dbraw/zinc/78/21/70/796782170.db2.gz NMNVQSORWDYOPN-KRWDZBQOSA-N 0 3 315.417 2.016 20 30 DEEDHN N#Cc1ccc2c(CN3CCC[C@H](n4cncn4)C3)c[nH]c2c1 ZINC001142922846 796785333 /nfs/dbraw/zinc/78/53/33/796785333.db2.gz YFMGCGQPZWPAKE-HNNXBMFYSA-N 0 3 306.373 2.468 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)CCOC2CCC2)C1 ZINC001189243048 796790155 /nfs/dbraw/zinc/79/01/55/796790155.db2.gz PTQRJIAWIWGTEO-CVEARBPZSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)CCc2scnc2C)C1 ZINC001189318053 796807158 /nfs/dbraw/zinc/80/71/58/796807158.db2.gz HDJVTABXLDXANQ-AWEZNQCLSA-N 0 3 307.463 2.493 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc(F)cc2F)c1 ZINC001149630468 796877812 /nfs/dbraw/zinc/87/78/12/796877812.db2.gz YOJKHTAEWPKTGC-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](CC)CC(F)F)C1 ZINC001149835612 796899749 /nfs/dbraw/zinc/89/97/49/796899749.db2.gz LMRWTDVGEDLEDG-KGLIPLIRSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)C[C@@H](O)c2ccccc2)C1 ZINC001189910424 796900483 /nfs/dbraw/zinc/90/04/83/796900483.db2.gz OXBLMHMTGPGTNO-ZWKOTPCHSA-N 0 3 314.429 2.056 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001150023188 796914352 /nfs/dbraw/zinc/91/43/52/796914352.db2.gz ROSWFNXAXVGYHV-OLZOCXBDSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCOCc3ccccc3)[C@@H]2C1 ZINC001190221415 796957222 /nfs/dbraw/zinc/95/72/22/796957222.db2.gz YVVTVGGQUUSNRJ-ZWKOTPCHSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001190329963 796981444 /nfs/dbraw/zinc/98/14/44/796981444.db2.gz WUXODMVKMBHLBL-KRWDZBQOSA-N 0 3 316.449 2.184 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ccco2)CC1 ZINC001150904934 796989769 /nfs/dbraw/zinc/98/97/69/796989769.db2.gz TYWZWFMLQQYZGR-UHFFFAOYSA-N 0 3 306.406 2.457 20 30 DEEDHN CCCCCCC[NH2+]CCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001150971592 796997080 /nfs/dbraw/zinc/99/70/80/796997080.db2.gz JNQQEEDJPGDBSW-UHFFFAOYSA-N 0 3 322.453 2.018 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ocnc2C)CC1 ZINC001151051960 797005857 /nfs/dbraw/zinc/00/58/57/797005857.db2.gz DAYBDDRTUKUZMR-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCO[C@@H]2CC2(F)F)C1 ZINC001190436572 797007353 /nfs/dbraw/zinc/00/73/53/797007353.db2.gz WVHYWEMVMCEJGK-UONOGXRCSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2cccc(F)c2)C1 ZINC001190502185 797012694 /nfs/dbraw/zinc/01/26/94/797012694.db2.gz QLJFPPIYIVIGRM-HNNXBMFYSA-N 0 3 306.381 2.313 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COCCc2cccc(F)c2)C1 ZINC001190537074 797023498 /nfs/dbraw/zinc/02/34/98/797023498.db2.gz DEEMQDLATUZQQQ-KRWDZBQOSA-N 0 3 320.408 2.104 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](C)C(C)(F)F)CC1 ZINC001151313026 797033544 /nfs/dbraw/zinc/03/35/44/797033544.db2.gz WWIXOZRHSIVVHD-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCC1(S(=O)(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC001190832986 797088194 /nfs/dbraw/zinc/08/81/94/797088194.db2.gz KMIBQKJNHOQJJF-AWEZNQCLSA-N 0 3 300.468 2.135 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccc(C(C)(C)C)s1 ZINC001151946449 797122225 /nfs/dbraw/zinc/12/22/25/797122225.db2.gz JVVQJPPJBCAKQK-UHFFFAOYSA-N 0 3 308.447 2.015 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001191391487 797186757 /nfs/dbraw/zinc/18/67/57/797186757.db2.gz AHGBHAJULVJQDT-ZJCQAOIJSA-N 0 3 308.466 2.474 20 30 DEEDHN CCN(Cc1ccc(OC)c(F)c1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450066 797188776 /nfs/dbraw/zinc/18/87/76/797188776.db2.gz QNVVXGWPGUNFPX-CHWSQXEVSA-N 0 3 321.396 2.321 20 30 DEEDHN CCN(Cc1ccsc1)[C@H](C)CNC(=O)CSCC#N ZINC001151954036 797213348 /nfs/dbraw/zinc/21/33/48/797213348.db2.gz KFRWKXCFRVWMDB-GFCCVEGCSA-N 0 3 311.476 2.331 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001153012517 797269505 /nfs/dbraw/zinc/26/95/05/797269505.db2.gz MTTVVGUFYQYJHA-RDTXWAMCSA-N 0 3 322.424 2.479 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001191890079 797282413 /nfs/dbraw/zinc/28/24/13/797282413.db2.gz NRYSATJMFXQFIL-KBPBESRZSA-N 0 3 318.408 2.403 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC001191900188 797283249 /nfs/dbraw/zinc/28/32/49/797283249.db2.gz AKPFHNJLKPSRKI-DOTOQJQBSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001192135657 797332097 /nfs/dbraw/zinc/33/20/97/797332097.db2.gz XPKUTRFVBZOBCC-CHWSQXEVSA-N 0 3 322.371 2.310 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C(C)(C)CC(F)F ZINC001153787665 797394696 /nfs/dbraw/zinc/39/46/96/797394696.db2.gz DULDVGVGNRBPAI-CYBMUJFWSA-N 0 3 318.408 2.144 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccnn1C(CC)CC ZINC001153809976 797401530 /nfs/dbraw/zinc/40/15/30/797401530.db2.gz GUERWEQEEHHEFL-CQSZACIVSA-N 0 3 304.438 2.318 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1c(CC)noc1CC ZINC001153857821 797412142 /nfs/dbraw/zinc/41/21/42/797412142.db2.gz DXADJOQSJANGBW-CQSZACIVSA-N 0 3 319.449 2.192 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001153897647 797419769 /nfs/dbraw/zinc/41/97/69/797419769.db2.gz UPHQPYHGYXBFIH-NVXWUHKLSA-N 0 3 313.445 2.070 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001192750185 797448482 /nfs/dbraw/zinc/44/84/82/797448482.db2.gz VFFSFZZMJDLAFR-HOTGVXAUSA-N 0 3 320.433 2.427 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001154078554 797456650 /nfs/dbraw/zinc/45/66/50/797456650.db2.gz MNEZBPSGWIZIFB-UONOGXRCSA-N 0 3 318.465 2.370 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccc(F)cc1 ZINC001154169400 797477167 /nfs/dbraw/zinc/47/71/67/797477167.db2.gz OBTIUOPKNJMWJH-UHFFFAOYSA-N 0 3 315.186 2.444 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC001154302383 797507214 /nfs/dbraw/zinc/50/72/14/797507214.db2.gz CJJCQIOVXUVZFT-IUODEOHRSA-N 0 3 320.820 2.276 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001154355856 797522003 /nfs/dbraw/zinc/52/20/03/797522003.db2.gz KQGLURVJOHPNJL-DYVFJYSZSA-N 0 3 302.393 2.315 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001193337304 797547751 /nfs/dbraw/zinc/54/77/51/797547751.db2.gz NWCDNWLHKQOYMN-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(F)c2ccncc12 ZINC001154780339 797609415 /nfs/dbraw/zinc/60/94/15/797609415.db2.gz OFGJSNGHAMVPAD-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCc2cccs2)C1 ZINC001193931047 797643835 /nfs/dbraw/zinc/64/38/35/797643835.db2.gz NSULIHJSGMLTFW-OAHLLOKOSA-N 0 3 322.474 2.416 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCc1ccc(OC)cc1 ZINC001155023262 797662657 /nfs/dbraw/zinc/66/26/57/797662657.db2.gz CAYGBZYGQOEJGB-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN CCCSCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155158099 797697149 /nfs/dbraw/zinc/69/71/49/797697149.db2.gz LEHSTUSCZVCGOM-UHFFFAOYSA-N 0 3 323.437 2.436 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001155372206 797743488 /nfs/dbraw/zinc/74/34/88/797743488.db2.gz SABFTFAGUSYGTN-GFCCVEGCSA-N 0 3 316.430 2.212 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001110462808 797793698 /nfs/dbraw/zinc/79/36/98/797793698.db2.gz DVHDSSDCGXYNLI-NXHRZFHOSA-N 0 3 318.461 2.471 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCCCC)C[C@H]2O)cc1 ZINC001195204961 797854724 /nfs/dbraw/zinc/85/47/24/797854724.db2.gz JOVZWTCVYXVERH-QZTJIDSGSA-N 0 3 314.429 2.023 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCNCc1cc(-c2ccccc2)no1 ZINC001155848377 797866072 /nfs/dbraw/zinc/86/60/72/797866072.db2.gz KGAZEVRWBKDVOR-CYBMUJFWSA-N 0 3 312.373 2.097 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1occc1Br ZINC001155877924 797873036 /nfs/dbraw/zinc/87/30/36/797873036.db2.gz NMRGZWDVHAJZLO-SNVBAGLBSA-N 0 3 313.195 2.116 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(CC(C)C)c1 ZINC001156041778 797911507 /nfs/dbraw/zinc/91/15/07/797911507.db2.gz UJAWRWDRQMKEKW-OAHLLOKOSA-N 0 3 304.438 2.003 20 30 DEEDHN CC(C)C#CC(=O)N1CCCN(C[C@H](O)C2CCCCC2)CC1 ZINC001195775264 797960621 /nfs/dbraw/zinc/96/06/21/797960621.db2.gz TUFWWBWXLUHULF-SFHVURJKSA-N 0 3 320.477 2.121 20 30 DEEDHN C#CCOCCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC001195824565 797972524 /nfs/dbraw/zinc/97/25/24/797972524.db2.gz WCSPVOUNNGPGIU-UHFFFAOYSA-N 0 3 304.434 2.061 20 30 DEEDHN N#CN=C(Nc1ncccc1CN1CCCC1)c1ccncc1 ZINC001156326229 797975451 /nfs/dbraw/zinc/97/54/51/797975451.db2.gz QHHYBTHAYBKCOK-UHFFFAOYSA-N 0 3 306.373 2.221 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195924038 797983366 /nfs/dbraw/zinc/98/33/66/797983366.db2.gz QXBMOWXIKGWDLG-SKFKZRJJSA-N 0 3 308.466 2.496 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1OCCc2ccsc21 ZINC001156475349 798009809 /nfs/dbraw/zinc/00/98/09/798009809.db2.gz ANNPOQNWKRIBOY-HIFRSBDPSA-N 0 3 320.458 2.212 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(OC)cc(OC)c1 ZINC001156585402 798035174 /nfs/dbraw/zinc/03/51/74/798035174.db2.gz HWQLUSVWRUNYEL-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2coc(OCC)n2)CC1 ZINC001196416791 798057479 /nfs/dbraw/zinc/05/74/79/798057479.db2.gz GNADSVJQVMDHDW-UHFFFAOYSA-N 0 3 307.394 2.187 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccc(C)cc1 ZINC001156751415 798077252 /nfs/dbraw/zinc/07/72/52/798077252.db2.gz WBIZMZBWGIQELP-MRXNPFEDSA-N 0 3 302.418 2.224 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccccc1OC ZINC001156761795 798078894 /nfs/dbraw/zinc/07/88/94/798078894.db2.gz ZALLQYZQXGDJAX-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001156802926 798084168 /nfs/dbraw/zinc/08/41/68/798084168.db2.gz MLUNDYUGHMMPNF-CABCVRRESA-N 0 3 320.408 2.443 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001196933649 798124949 /nfs/dbraw/zinc/12/49/49/798124949.db2.gz VPWNIDASBAIOJE-IAOVAPTHSA-N 0 3 320.433 2.127 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1nsc2ccccc12 ZINC001157047267 798133245 /nfs/dbraw/zinc/13/32/45/798133245.db2.gz ONJPALLSHBVBOG-CYBMUJFWSA-N 0 3 315.442 2.299 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CCOC1CCC1 ZINC001157695929 798261326 /nfs/dbraw/zinc/26/13/26/798261326.db2.gz KUYFBHDUANRWEP-HUUCEWRRSA-N 0 3 307.438 2.028 20 30 DEEDHN N#CCCN(Cc1cccnc1)C(=O)[C@@H](N)C1CCCCC1 ZINC001157720332 798265520 /nfs/dbraw/zinc/26/55/20/798265520.db2.gz GQQLTXNDFYGHRU-INIZCTEOSA-N 0 3 300.406 2.231 20 30 DEEDHN CCO[C@H](C(=O)NCCCNCc1ccccc1C#N)C(C)C ZINC001157832724 798289340 /nfs/dbraw/zinc/28/93/40/798289340.db2.gz PKCANKSGJOESCK-KRWDZBQOSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001198409404 798330264 /nfs/dbraw/zinc/33/02/64/798330264.db2.gz RYKYFFGYKQKVAH-RCCFBDPRSA-N 0 3 316.445 2.308 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc([C@@H](C)OC)s1 ZINC001158098692 798341714 /nfs/dbraw/zinc/34/17/14/798341714.db2.gz IPJCQFWRFWUZKD-SNVBAGLBSA-N 0 3 317.842 2.313 20 30 DEEDHN C=C(C)CCN[C@@H](CNC(=O)[C@@H](C)OC)c1ccccc1OC ZINC001198577720 798357776 /nfs/dbraw/zinc/35/77/76/798357776.db2.gz LEQAGIJZCWFXEA-ZBFHGGJFSA-N 0 3 320.433 2.443 20 30 DEEDHN CCCCN[C@@H](CNC(=O)[C@@H](C)C#N)c1ccccc1OC ZINC001198615769 798366992 /nfs/dbraw/zinc/36/69/92/798366992.db2.gz BDMWHKKMAGZQQV-ZFWWWQNUSA-N 0 3 303.406 2.402 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001199002479 798428363 /nfs/dbraw/zinc/42/83/63/798428363.db2.gz VNFKWTNEQXZAQZ-DZGCQCFKSA-N 0 3 306.406 2.053 20 30 DEEDHN N#Cc1cc(C#N)c(N2CCCc3ccc(CN)nc32)nc1Cl ZINC001158649981 798444039 /nfs/dbraw/zinc/44/40/39/798444039.db2.gz UDHTURSALRQSFO-UHFFFAOYSA-N 0 3 324.775 2.416 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCc2cc(C)sc2C)C1 ZINC001199217288 798452545 /nfs/dbraw/zinc/45/25/45/798452545.db2.gz PNMYTZRWJFTFJK-HZPDHXFCSA-N 0 3 322.474 2.035 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](OC)C(F)(F)F ZINC001158709355 798454293 /nfs/dbraw/zinc/45/42/93/798454293.db2.gz ODAYXYYATBIBIT-OLZOCXBDSA-N 0 3 322.371 2.453 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001158922841 798490544 /nfs/dbraw/zinc/49/05/44/798490544.db2.gz JHSNDMNTTJQGIU-OAHLLOKOSA-N 0 3 315.889 2.392 20 30 DEEDHN C[C@@H](Nc1ncccc1C#C[Si](C)(C)C)[C@H]1CNCCO1 ZINC001159501274 798574238 /nfs/dbraw/zinc/57/42/38/798574238.db2.gz VYDOKLZQXHVDFQ-UKRRQHHQSA-N 0 3 303.482 2.099 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001160163066 798657429 /nfs/dbraw/zinc/65/74/29/798657429.db2.gz MNYLSRJHXWYDBY-ROUUACIJSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@@H](CNC/C=C/Cl)C2)CCC1 ZINC001200680271 798664901 /nfs/dbraw/zinc/66/49/01/798664901.db2.gz NHWRTQYMEKCQDZ-ULYATVDSSA-N 0 3 324.852 2.140 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccnn2CCC)CC1 ZINC001160258660 798667538 /nfs/dbraw/zinc/66/75/38/798667538.db2.gz ZJRJAVYHNYQKHP-UHFFFAOYSA-N 0 3 302.422 2.231 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2scnc2CC)CC1 ZINC001160302604 798672245 /nfs/dbraw/zinc/67/22/45/798672245.db2.gz YTPVIAPIPBPNCX-UHFFFAOYSA-N 0 3 317.458 2.481 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccccc2CCC)CCCO1 ZINC001200937917 798699823 /nfs/dbraw/zinc/69/98/23/798699823.db2.gz RXXBAZXANBFXOR-QGZVFWFLSA-N 0 3 314.429 2.093 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCCn3nccc32)CC1 ZINC001160522825 798700006 /nfs/dbraw/zinc/70/00/06/798700006.db2.gz FDSFDGIGKCUQRJ-MRXNPFEDSA-N 0 3 314.433 2.085 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001160736572 798733125 /nfs/dbraw/zinc/73/31/25/798733125.db2.gz OQSYWVJFTDEPOP-YESZJQIVSA-N 0 3 304.434 2.126 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(C)c(Cl)c2)CCCO1 ZINC001201309314 798738380 /nfs/dbraw/zinc/73/83/80/798738380.db2.gz NTZALPKTFUMXOX-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](C)c2cccs2)CCCO1 ZINC001201390738 798749775 /nfs/dbraw/zinc/74/97/75/798749775.db2.gz RXOORLMUKDJPPD-HUUCEWRRSA-N 0 3 320.458 2.082 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@H](C)CC(C)(C)C)CCCO1 ZINC001201471268 798764434 /nfs/dbraw/zinc/76/44/34/798764434.db2.gz BDITXVYWIVKFJD-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CCCO1 ZINC001201546892 798767212 /nfs/dbraw/zinc/76/72/12/798767212.db2.gz NQTLTYCUQUKVPX-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@H](CC)CC2)CCCO1 ZINC001201900819 798805756 /nfs/dbraw/zinc/80/57/56/798805756.db2.gz LDOJWXZNWIXSOB-BZSNNMDCSA-N 0 3 320.477 2.433 20 30 DEEDHN Cc1nc(C#N)cnc1NCC1CCN(Cc2ccccn2)CC1 ZINC001161245969 798816665 /nfs/dbraw/zinc/81/66/65/798816665.db2.gz IQUINXHGUVLYDF-UHFFFAOYSA-N 0 3 322.416 2.376 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H](C)c2ccccc2)CCCO1 ZINC001201990977 798819539 /nfs/dbraw/zinc/81/95/39/798819539.db2.gz 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C=CCOCCCC(=O)N1CCC[C@@H](NC[C@@H](F)CC)C1 ZINC001207758755 800824346 /nfs/dbraw/zinc/82/43/46/800824346.db2.gz GMMDGWNJNKRBEX-LSDHHAIUSA-N 0 3 300.418 2.298 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](NCc2cncc(F)c2)C1 ZINC001207944453 800870190 /nfs/dbraw/zinc/87/01/90/800870190.db2.gz NZERRNHCOIIELW-INIZCTEOSA-N 0 3 303.381 2.105 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001207967185 800879239 /nfs/dbraw/zinc/87/92/39/800879239.db2.gz VNOBZJSCHKKRGM-KLHDSHLOSA-N 0 3 308.466 2.308 20 30 DEEDHN O=C([C@@H]1CC1(F)F)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207986286 800884307 /nfs/dbraw/zinc/88/43/07/800884307.db2.gz JSLJVKUGEQRPHH-CVEARBPZSA-N 0 3 318.367 2.274 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001208195228 800928259 /nfs/dbraw/zinc/92/82/59/800928259.db2.gz ZDROWVKJKLPFDI-MRXNPFEDSA-N 0 3 316.449 2.269 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C ZINC001208374513 800968834 /nfs/dbraw/zinc/96/88/34/800968834.db2.gz 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/nfs/dbraw/zinc/18/39/77/801183977.db2.gz DZWLEFLQALKIAZ-HNNXBMFYSA-N 0 3 307.438 2.337 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001209406765 801184793 /nfs/dbraw/zinc/18/47/93/801184793.db2.gz RRJVEDHNHACGME-RHSMWYFYSA-N 0 3 316.449 2.216 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCC(=O)NCCCC)C1 ZINC001209453634 801193458 /nfs/dbraw/zinc/19/34/58/801193458.db2.gz BKEZOOBYWRJSLF-YJBOKZPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001209455105 801195137 /nfs/dbraw/zinc/19/51/37/801195137.db2.gz QLFWHQMUPOHJBK-RDTXWAMCSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(N4CCCC4)nc3)CCC2S1 ZINC001209626181 801238944 /nfs/dbraw/zinc/23/89/44/801238944.db2.gz QSIHTXITNCWNOF-OAHLLOKOSA-N 0 3 315.442 2.456 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ncccn1 ZINC001229239357 801245878 /nfs/dbraw/zinc/24/58/78/801245878.db2.gz YCSVAXGJGUUBHP-ZIAGYGMSSA-N 0 3 322.840 2.179 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](F)c2ccccc2)CC1 ZINC001229362668 801263649 /nfs/dbraw/zinc/26/36/49/801263649.db2.gz BRLGPLZTPDJIKG-KRWDZBQOSA-N 0 3 320.408 2.480 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001209769416 801278711 /nfs/dbraw/zinc/27/87/11/801278711.db2.gz LVJTTZGIGIMOMA-NXHRZFHOSA-N 0 3 313.445 2.281 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cnccn1 ZINC001229510520 801287379 /nfs/dbraw/zinc/28/73/79/801287379.db2.gz JEFMJTSWDWDSAZ-HUUCEWRRSA-N 0 3 322.840 2.179 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001209874695 801299548 /nfs/dbraw/zinc/29/95/48/801299548.db2.gz KQTAENFALAHVJR-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001210461890 801406575 /nfs/dbraw/zinc/40/65/75/801406575.db2.gz WMVRXJZEPQXHBF-DJIMGWMZSA-N 0 3 302.418 2.387 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@@H](C)OC)Cc1cccnc1 ZINC001230699852 801466140 /nfs/dbraw/zinc/46/61/40/801466140.db2.gz NKLLDNXIQMZPCF-OAHLLOKOSA-N 0 3 305.422 2.001 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001210804935 801466986 /nfs/dbraw/zinc/46/69/86/801466986.db2.gz NFDTYZMSUGNYEI-HNNXBMFYSA-N 0 3 311.470 2.064 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2OC)C1 ZINC001210842865 801473006 /nfs/dbraw/zinc/47/30/06/801473006.db2.gz AXBGTYOIPWHMBE-HUUCEWRRSA-N 0 3 318.417 2.005 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cncnc1C ZINC001230855385 801512876 /nfs/dbraw/zinc/51/28/76/801512876.db2.gz MLOZHOUHBRKJLN-DZGCQCFKSA-N 0 3 302.422 2.286 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001211155720 801519490 /nfs/dbraw/zinc/51/94/90/801519490.db2.gz ACPKNYALXDEAQD-OGHNNQOOSA-N 0 3 318.465 2.218 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1nccnc1N ZINC001231271715 801622630 /nfs/dbraw/zinc/62/26/30/801622630.db2.gz KZHMMBIRTKTYGF-CQSZACIVSA-N 0 3 319.453 2.176 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)Cc2ccco2)[C@H](OC)C1 ZINC001213569395 801623378 /nfs/dbraw/zinc/62/33/78/801623378.db2.gz KUBQQCNQTKYYRG-USXIJHARSA-N 0 3 320.433 2.240 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2cccs2)[C@H](OC)C1 ZINC001213837326 801647160 /nfs/dbraw/zinc/64/71/60/801647160.db2.gz HHXIJSWGYXNPAS-HUUCEWRRSA-N 0 3 308.447 2.072 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(OC)ccn3)C2)C1=O ZINC001231965866 801757349 /nfs/dbraw/zinc/75/73/49/801757349.db2.gz PEKRVGHIEAZBDD-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001215317154 801834163 /nfs/dbraw/zinc/83/41/63/801834163.db2.gz XAXJGQCDYXMILF-DTTOXWODSA-N 0 3 314.404 2.270 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001215430135 801859998 /nfs/dbraw/zinc/85/99/98/801859998.db2.gz YSCSLPSQPJOHPY-CZUORRHYSA-N 0 3 304.438 2.021 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001215433893 801861127 /nfs/dbraw/zinc/86/11/27/801861127.db2.gz FMRYSHYUNJISMJ-HZSPNIEDSA-N 0 3 319.453 2.221 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(N)nc1)C2 ZINC001232367074 801862231 /nfs/dbraw/zinc/86/22/31/801862231.db2.gz ASETYXCIDPBBNR-FUHWJXTLSA-N 0 3 317.433 2.238 20 30 DEEDHN CN(C)c1ccc(CN2CCC[C@@H]2C(C)(C)O)c(F)c1C#N ZINC001233101714 802025976 /nfs/dbraw/zinc/02/59/76/802025976.db2.gz FLVJRELUIVVUNT-OAHLLOKOSA-N 0 3 305.397 2.499 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001216931265 802038846 /nfs/dbraw/zinc/03/88/46/802038846.db2.gz XKKKELKHFJZIAD-CKEIUWERSA-N 0 3 320.408 2.353 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@@H]3C=CCC3)[C@H]2C1 ZINC001217249436 802060797 /nfs/dbraw/zinc/06/07/97/802060797.db2.gz ZQAMYDOCNKRUPU-IXDOHACOSA-N 0 3 304.434 2.221 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3[nH]c(C)cc3C)[C@H]2C1 ZINC001218175390 802149912 /nfs/dbraw/zinc/14/99/12/802149912.db2.gz JHNKDRPQRJJDCW-JKSUJKDBSA-N 0 3 317.433 2.123 20 30 DEEDHN C=C/C(C)=C\CC(=O)N1CCO[C@@H]2CN(CCC(=C)C)C[C@@H]21 ZINC001218486039 802190665 /nfs/dbraw/zinc/19/06/65/802190665.db2.gz BMCJRQPGDQOTLO-AKLXSSKXSA-N 0 3 304.434 2.387 20 30 DEEDHN N#Cc1nc[nH]c1NC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001218596400 802212574 /nfs/dbraw/zinc/21/25/74/802212574.db2.gz ZIGMPDVTMUISIF-SNVBAGLBSA-N 0 3 323.278 2.329 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC[C@@H]1CCCCO1 ZINC001233946988 802249278 /nfs/dbraw/zinc/24/92/78/802249278.db2.gz GZSLGZJSPGEOTG-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001233991328 802260058 /nfs/dbraw/zinc/26/00/58/802260058.db2.gz PMCFDUDSXTZGRD-GJZGRUSLSA-N 0 3 302.422 2.286 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](O)C1 ZINC001219177482 802293620 /nfs/dbraw/zinc/29/36/20/802293620.db2.gz QLBHSGFQFOSCCQ-ZACQAIPSSA-N 0 3 308.466 2.474 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CC[C@H]1CCCCO1 ZINC001234162478 802315836 /nfs/dbraw/zinc/31/58/36/802315836.db2.gz SBYHZHIWQSZQRA-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC001219424829 802326706 /nfs/dbraw/zinc/32/67/06/802326706.db2.gz WXUJHWGAYYQANR-CFVMTHIKSA-N 0 3 308.447 2.186 20 30 DEEDHN CNc1ccc(CNC(=O)C[C@@H](N)c2ccc(C#N)cc2)cc1 ZINC001219957402 802395210 /nfs/dbraw/zinc/39/52/10/802395210.db2.gz OSTYQPOZTSXVLI-QGZVFWFLSA-N 0 3 308.385 2.306 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001234527120 802403769 /nfs/dbraw/zinc/40/37/69/802403769.db2.gz LWGJUQXFWRCQQW-WBVHZDCISA-N 0 3 318.465 2.327 20 30 DEEDHN C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H](C#N)CC1 ZINC001220094777 802409729 /nfs/dbraw/zinc/40/97/29/802409729.db2.gz IGGOVXUCHYCWPD-QRTARXTBSA-N 0 3 303.381 2.284 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC001234583100 802420181 /nfs/dbraw/zinc/42/01/81/802420181.db2.gz HVQANDXOHDAULJ-CQSZACIVSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)[C@@H](O)C1 ZINC001220472204 802464694 /nfs/dbraw/zinc/46/46/94/802464694.db2.gz QDNYYNSJSWJRHV-BBWFWOEESA-N 0 3 308.466 2.330 20 30 DEEDHN C=C1CC=C(F)C=C1NC(=O)[C@H](CC(=O)OC(C)(C)C)NC ZINC001220796704 802499425 /nfs/dbraw/zinc/49/94/25/802499425.db2.gz AUBWQMOSLFFQOC-ZDUSSCGKSA-N 0 3 310.369 2.120 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](O)C1 ZINC001220884264 802507636 /nfs/dbraw/zinc/50/76/36/802507636.db2.gz VQRGIFOELQICDA-XZJROXQQSA-N 0 3 324.371 2.094 20 30 DEEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 ZINC001221883297 802622944 /nfs/dbraw/zinc/62/29/44/802622944.db2.gz YCOQPSLXNRKQNO-UKRRQHHQSA-N 0 3 306.410 2.186 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3ncccn3)[C@@H]2C1 ZINC001221885457 802623983 /nfs/dbraw/zinc/62/39/83/802623983.db2.gz JALIUELIGHJAKZ-HZPDHXFCSA-N 0 3 314.433 2.369 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCOc3ccccc3)[C@@H]2C1 ZINC001222014975 802633298 /nfs/dbraw/zinc/63/32/98/802633298.db2.gz PJYHVHAFNAARQY-SJLPKXTDSA-N 0 3 312.413 2.012 20 30 DEEDHN C=C(C)CCC(=O)NCC1CCN(Cc2cn(C)nc2C)CC1 ZINC001223352341 802783052 /nfs/dbraw/zinc/78/30/52/802783052.db2.gz ANTYVBZYOLODRH-UHFFFAOYSA-N 0 3 318.465 2.413 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224426622 802868371 /nfs/dbraw/zinc/86/83/71/802868371.db2.gz QPCKFIGKFPGSKD-OAHLLOKOSA-N 0 3 315.889 2.153 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC(F)(F)C(F)F)CC1 ZINC001224570160 802882431 /nfs/dbraw/zinc/88/24/31/802882431.db2.gz SJRZMECCJQYGCO-UHFFFAOYSA-N 0 3 308.319 2.128 20 30 DEEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)c1cn[nH]c1 ZINC001224969447 802922212 /nfs/dbraw/zinc/92/22/12/802922212.db2.gz WMDTWSOFLLCJIO-QZTJIDSGSA-N 0 3 322.412 2.092 20 30 DEEDHN C=CCC1(C(=O)NCC2CCN(CC#CC)CC2)CCOCC1 ZINC001225293043 802952061 /nfs/dbraw/zinc/95/20/61/802952061.db2.gz ZZVIWCDTWBJJCS-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC001225506892 802974832 /nfs/dbraw/zinc/97/48/32/802974832.db2.gz UCDHTJWGZHSEIB-CQSZACIVSA-N 0 3 302.393 2.391 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(Cl)o2)CC1 ZINC001226038285 803044048 /nfs/dbraw/zinc/04/40/48/803044048.db2.gz NOUSWJIPGJAZOR-UHFFFAOYSA-N 0 3 312.797 2.330 20 30 DEEDHN Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C#CC(C)C ZINC001226073540 803049905 /nfs/dbraw/zinc/04/99/05/803049905.db2.gz SUGHRGWYWUNVRQ-IAGOWNOFSA-N 0 3 317.433 2.468 20 30 DEEDHN C=CCCC(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001226527459 803119988 /nfs/dbraw/zinc/11/99/88/803119988.db2.gz KCZYNXHTBMNZBZ-UHFFFAOYSA-N 0 3 302.418 2.226 20 30 DEEDHN C#CCCCC(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001227107341 803202241 /nfs/dbraw/zinc/20/22/41/803202241.db2.gz CIVIBXGHDUTLGY-UHFFFAOYSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)CCC(=O)NC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC001227607621 803259092 /nfs/dbraw/zinc/25/90/92/803259092.db2.gz WLJFARKAJJSYNP-QGZVFWFLSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1CC ZINC001227967855 803300400 /nfs/dbraw/zinc/30/04/00/803300400.db2.gz WMRMSZFNEMPASW-HUUCEWRRSA-N 0 3 319.453 2.027 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001228123703 803322634 /nfs/dbraw/zinc/32/26/34/803322634.db2.gz QPQGMMFPGODZBJ-BPLDGKMQSA-N 0 3 319.453 2.232 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2(C3CC3)CCC2)CC1 ZINC001228467107 803364055 /nfs/dbraw/zinc/36/40/55/803364055.db2.gz QVPOGJBKMVARMH-UHFFFAOYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001228829334 803418938 /nfs/dbraw/zinc/41/89/38/803418938.db2.gz VHWBFWIVCMPGKE-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1cscn1 ZINC001368839214 1148704767 /nfs/dbraw/zinc/70/47/67/1148704767.db2.gz FXGAUUMLDLNSFN-NXEZZACHSA-N 0 3 320.443 2.373 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001370097544 1149387969 /nfs/dbraw/zinc/38/79/69/1149387969.db2.gz ZYSVVYRGLXLHBL-QWRGUYRKSA-N 0 3 303.328 2.069 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](NCc2nccn2C)C(C)C)C1 ZINC001331214741 1149397757 /nfs/dbraw/zinc/39/77/57/1149397757.db2.gz NWSWNAMTKKWVAQ-OAHLLOKOSA-N 0 3 318.465 2.397 20 30 DEEDHN C[C@@H](NC(=O)COC(C)(C)C)[C@H](C)NCc1ccc(C#N)s1 ZINC001368843987 1148710147 /nfs/dbraw/zinc/71/01/47/1148710147.db2.gz PSUFONPQUYHSCC-NWDGAFQWSA-N 0 3 323.462 2.418 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)COC(C)(C)C ZINC001368844014 1148710877 /nfs/dbraw/zinc/71/08/77/1148710877.db2.gz PSUFONPQUYHSCC-VXGBXAGGSA-N 0 3 323.462 2.418 20 30 DEEDHN Cc1cccnc1CNC[C@H](C1CC1)N(C)C(=O)C#CC1CC1 ZINC001331285399 1149411368 /nfs/dbraw/zinc/41/13/68/1149411368.db2.gz XCDSVYKSHGSKMB-GOSISDBHSA-N 0 3 311.429 2.130 20 30 DEEDHN C=CCN(CCOC)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001334871520 1150349930 /nfs/dbraw/zinc/34/99/30/1150349930.db2.gz UEAGUXHRSRAURH-OAHLLOKOSA-N 0 3 304.390 2.042 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCOCC(F)(F)F)C(C)(C)C1 ZINC001328080383 1148715410 /nfs/dbraw/zinc/71/54/10/1148715410.db2.gz GWIZXGWQPPWKFI-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](CCC)c1ccccn1 ZINC001331528916 1149508128 /nfs/dbraw/zinc/50/81/28/1149508128.db2.gz HAMXSLOPAJMNED-HOTGVXAUSA-N 0 3 301.434 2.425 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccnc(N(C)C)c1 ZINC001331535791 1149515665 /nfs/dbraw/zinc/51/56/65/1149515665.db2.gz XDVISNIBIREGGF-AWEZNQCLSA-N 0 3 318.465 2.296 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C(C)(C)C1 ZINC001328098869 1148721075 /nfs/dbraw/zinc/72/10/75/1148721075.db2.gz QWLKAFOYKLRJCD-ZBFHGGJFSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)C[C@H](C)n2ccnc2)C(C)(C)C1 ZINC001328101458 1148721609 /nfs/dbraw/zinc/72/16/09/1148721609.db2.gz FWJBGNFARDOEEU-LSDHHAIUSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001328115193 1148724224 /nfs/dbraw/zinc/72/42/24/1148724224.db2.gz AAADKBITCICSSV-DOTOQJQBSA-N 0 3 319.493 2.216 20 30 DEEDHN C=C[C@@H](COC)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001331644144 1149573528 /nfs/dbraw/zinc/57/35/28/1149573528.db2.gz MERYSDYPVBWJFT-HOCLYGCPSA-N 0 3 306.406 2.052 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC001343194940 1150707499 /nfs/dbraw/zinc/70/74/99/1150707499.db2.gz AMKFHOCHGRPOHB-DOMZBBRYSA-N 0 3 319.405 2.282 20 30 DEEDHN CC#CC[C@@H](N)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001574970674 1069313883 /nfs/dbraw/zinc/31/38/83/1069313883.db2.gz XYVYIFNHAWLQNT-GXTWGEPZSA-N 0 3 320.462 2.054 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001331817811 1149703537 /nfs/dbraw/zinc/70/35/37/1149703537.db2.gz AHSIHGAUOXLNJN-GOSISDBHSA-N 0 3 310.397 2.220 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001345418449 1150888193 /nfs/dbraw/zinc/88/81/93/1150888193.db2.gz FVZRIKFMEIEHFB-PMPSAXMXSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2OC)C1 ZINC001522341184 1069343405 /nfs/dbraw/zinc/34/34/05/1069343405.db2.gz FTNYJWBZSWFHFH-WBVHZDCISA-N 0 3 318.417 2.279 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001523325490 1069630043 /nfs/dbraw/zinc/63/00/43/1069630043.db2.gz HGNNWHDLDRGPCD-YJBOKZPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC[C@@H]([NH2+][C@@H](CC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001602721282 1069737000 /nfs/dbraw/zinc/73/70/00/1069737000.db2.gz COOYEZOCSGBIMB-SJORKVTESA-N 0 3 324.432 2.005 20 30 DEEDHN C#CCN1CCC[C@@H]([NH2+][C@@H](CC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001602721282 1069737019 /nfs/dbraw/zinc/73/70/19/1069737019.db2.gz COOYEZOCSGBIMB-SJORKVTESA-N 0 3 324.432 2.005 20 30 DEEDHN C=CCCCC[N@@H+]1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001602838046 1069770695 /nfs/dbraw/zinc/77/06/95/1069770695.db2.gz MUMABORJJZUUJZ-UHFFFAOYSA-N 0 3 304.423 2.225 20 30 DEEDHN C=CCCCC[N@H+]1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001602838046 1069770703 /nfs/dbraw/zinc/77/07/03/1069770703.db2.gz MUMABORJJZUUJZ-UHFFFAOYSA-N 0 3 304.423 2.225 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NC(=O)CN(CC)CC)CC1 ZINC001350916473 1151426500 /nfs/dbraw/zinc/42/65/00/1151426500.db2.gz IZABEPVYTSSJKD-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001526081993 1070217260 /nfs/dbraw/zinc/21/72/60/1070217260.db2.gz GWQXNQVTDBWAJQ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001526854354 1070358622 /nfs/dbraw/zinc/35/86/22/1070358622.db2.gz JEXAQVULEHQHDF-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)C(=O)CN1CCC[C@@H]1C ZINC001529086512 1070843384 /nfs/dbraw/zinc/84/33/84/1070843384.db2.gz UCFXHBYXCNKQFF-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1C ZINC001351252842 1151504564 /nfs/dbraw/zinc/50/45/64/1151504564.db2.gz FMKDSMOGHQNTKP-ZIAGYGMSSA-N 0 3 303.454 2.035 20 30 DEEDHN CN1CCC2(CCN2C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC001607352987 1071420266 /nfs/dbraw/zinc/42/02/66/1071420266.db2.gz PKUMBIZAHMDNDZ-QPJJXVBHSA-N 0 3 316.376 2.105 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001532031234 1071604811 /nfs/dbraw/zinc/60/48/11/1071604811.db2.gz OZMFRUBYEKAKAA-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNC(=O)[C@H](CC)N(C)C ZINC001532568502 1071680941 /nfs/dbraw/zinc/68/09/41/1071680941.db2.gz PKFRGALGUCZHOE-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1noc([C@H]2CCCN(C[C@H](O)c3cccc(C#N)c3)C2)n1 ZINC001459345528 1058150346 /nfs/dbraw/zinc/15/03/46/1058150346.db2.gz FBKGTXKZOKAIBZ-HOTGVXAUSA-N 0 3 312.373 2.163 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)Cc2cc(C3CC3)no2)CC1 ZINC001499985069 1058416748 /nfs/dbraw/zinc/41/67/48/1058416748.db2.gz HAYQBOGKADASKE-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCN(C(=O)[C@H](C)C(C)C)C1CCN(CCOCC=C)CC1 ZINC001500051735 1058454779 /nfs/dbraw/zinc/45/47/79/1058454779.db2.gz KYLNWRFKJPAMOU-QGZVFWFLSA-N 0 3 320.477 2.407 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCCC[C@H]1C)C1CCN(CCO)CC1 ZINC001500061010 1058459523 /nfs/dbraw/zinc/45/95/23/1058459523.db2.gz XVOGEGZKYDQFAK-IAGOWNOFSA-N 0 3 320.477 2.121 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)OCC(C)C)C2 ZINC001500156292 1058528365 /nfs/dbraw/zinc/52/83/65/1058528365.db2.gz MPMDHOQJJAPISO-IEBWSBKVSA-N 0 3 320.477 2.385 20 30 DEEDHN COc1cc(CNCc2ccnn2-c2ccncc2)ccc1C#N ZINC001461486191 1058666182 /nfs/dbraw/zinc/66/61/82/1058666182.db2.gz GEBNQDYVSABFCP-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN C#CCOc1ccc(CNCc2cnc3c(cnn3C)c2)cc1 ZINC001461520899 1058672514 /nfs/dbraw/zinc/67/25/14/1058672514.db2.gz MXXYGFYWDRAKHK-UHFFFAOYSA-N 0 3 306.369 2.270 20 30 DEEDHN C#CCOc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC001461520778 1058672685 /nfs/dbraw/zinc/67/26/85/1058672685.db2.gz KVFQAQHWPBYMQV-UHFFFAOYSA-N 0 3 322.364 2.433 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001500508598 1058873849 /nfs/dbraw/zinc/87/38/49/1058873849.db2.gz KMRVJFKOERLAOD-QFBILLFUSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CN(CCCCCF)CCC1(F)F ZINC001500608198 1058956623 /nfs/dbraw/zinc/95/66/23/1058956623.db2.gz WGKWURXLNSNCGS-CHWSQXEVSA-N 0 3 319.371 2.359 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001500766837 1059074501 /nfs/dbraw/zinc/07/45/01/1059074501.db2.gz UKFWLRFSYJLKSS-KDOFPFPSSA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2csnc2OC)C1 ZINC001501033964 1059222714 /nfs/dbraw/zinc/22/27/14/1059222714.db2.gz RBYICRZQVSWGNW-STQMWFEESA-N 0 3 323.462 2.445 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cn(C)nc2C)cc1 ZINC001501672576 1059624759 /nfs/dbraw/zinc/62/47/59/1059624759.db2.gz GPEUATSYGJLSQA-AWEZNQCLSA-N 0 3 324.428 2.332 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cnsn2)cc1 ZINC001501672848 1059627180 /nfs/dbraw/zinc/62/71/80/1059627180.db2.gz JIZAZAYIEGIFAQ-GFCCVEGCSA-N 0 3 314.414 2.142 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cnn(C(C)C)c2Cl)CCC1 ZINC001501986298 1059836078 /nfs/dbraw/zinc/83/60/78/1059836078.db2.gz YNCFSZWARCBBFO-UHFFFAOYSA-N 0 3 322.840 2.383 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)CC1 ZINC001502127708 1059971787 /nfs/dbraw/zinc/97/17/87/1059971787.db2.gz SJAHHJQZJQDDGM-CZUORRHYSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001502145039 1059991026 /nfs/dbraw/zinc/99/10/26/1059991026.db2.gz JHORARNMQVRRQD-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@H](C)c1ccsc1 ZINC001502373274 1060085862 /nfs/dbraw/zinc/08/58/62/1060085862.db2.gz HAJNHCZVCIPDMQ-OAHLLOKOSA-N 0 3 322.474 2.282 20 30 DEEDHN C[C@@H](NCc1cnn(C(C)(C)C)c1)[C@H](C)NC(=O)C#CC1CC1 ZINC001329040183 1148860185 /nfs/dbraw/zinc/86/01/85/1148860185.db2.gz WVCVAOKHAWVYLG-KGLIPLIRSA-N 0 3 316.449 2.034 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)COCC=C)cc2C1 ZINC001502649075 1060214334 /nfs/dbraw/zinc/21/43/34/1060214334.db2.gz ZZTQWLIFWKLAIO-UHFFFAOYSA-N 0 3 300.402 2.397 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCn2cccn2)CC1(C)C ZINC001502820788 1060323924 /nfs/dbraw/zinc/32/39/24/1060323924.db2.gz NLZDVQHROZTNSE-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C/C(C)=C/CC(=O)N1CCN(C2CN(CCC(=C)C)C2)CC1 ZINC001502843856 1060353610 /nfs/dbraw/zinc/35/36/10/1060353610.db2.gz GYHZHUQUICLJNO-UBKPWBPPSA-N 0 3 317.477 2.303 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C[C@@H]1C ZINC001502932633 1060400980 /nfs/dbraw/zinc/40/09/80/1060400980.db2.gz GHEKMCHDZCPFGO-NWDGAFQWSA-N 0 3 302.340 2.321 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001505404776 1060539487 /nfs/dbraw/zinc/53/94/87/1060539487.db2.gz NKYBNOADGPTEHZ-VSFMZDRDSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)OCC ZINC001505413430 1060549378 /nfs/dbraw/zinc/54/93/78/1060549378.db2.gz DFADBUNNFBLCLK-FGTMMUONSA-N 0 3 314.429 2.197 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccncc1C ZINC001505428822 1060581634 /nfs/dbraw/zinc/58/16/34/1060581634.db2.gz HJZHPLBBWIIVAM-INIZCTEOSA-N 0 3 317.433 2.129 20 30 DEEDHN C[C@@H](NC(=O)C(F)F)[C@H](C)NCC#Cc1ccccc1Cl ZINC001505540769 1060689774 /nfs/dbraw/zinc/68/97/74/1060689774.db2.gz HIICPABAWMRASM-WDEREUQCSA-N 0 3 314.763 2.439 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(C)(C)CC)C1 ZINC001505686178 1060867786 /nfs/dbraw/zinc/86/77/86/1060867786.db2.gz MSIPMYAPDOVUPB-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN COc1cccc(CN(C)[C@H](C)CNC(=O)C#CC2CC2)c1C ZINC001505916281 1061129400 /nfs/dbraw/zinc/12/94/00/1061129400.db2.gz HTOHEJXGHSPDAW-CQSZACIVSA-N 0 3 314.429 2.354 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001505937199 1061153537 /nfs/dbraw/zinc/15/35/37/1061153537.db2.gz AHONMMUPXVISQY-BBRMVZONSA-N 0 3 302.418 2.348 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1occc1Br ZINC001506022059 1061277166 /nfs/dbraw/zinc/27/71/66/1061277166.db2.gz UNTWWKPTCFCDOJ-SECBINFHSA-N 0 3 301.184 2.278 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001479227311 1061295941 /nfs/dbraw/zinc/29/59/41/1061295941.db2.gz HOUJXEPRQARAGY-NUJGCVRESA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCCCC(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCO1 ZINC001479233977 1061309400 /nfs/dbraw/zinc/30/94/00/1061309400.db2.gz CPHSQWWUEKDDHL-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001479236521 1061313536 /nfs/dbraw/zinc/31/35/36/1061313536.db2.gz XSVGYCFIJDPCNA-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(F)CCOC1 ZINC001479241249 1061314881 /nfs/dbraw/zinc/31/48/81/1061314881.db2.gz PKHFHIIMOAIIQD-WBVHZDCISA-N 0 3 312.429 2.394 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001479367892 1061417578 /nfs/dbraw/zinc/41/75/78/1061417578.db2.gz TVUKAAQTHNODHS-CTYIDZIISA-N 0 3 317.820 2.133 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C(F)=C2CCCC2)C1 ZINC001479652005 1061563310 /nfs/dbraw/zinc/56/33/10/1061563310.db2.gz FDUOAVPCXUNWMN-OAHLLOKOSA-N 0 3 310.413 2.255 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)C(C)(C)C(F)(F)F ZINC001506043072 1061606390 /nfs/dbraw/zinc/60/63/90/1061606390.db2.gz IVBVXFUHNQFQMA-NSHDSACASA-N 0 3 310.360 2.214 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](OCC)C(C)C)CC(C)(C)C1 ZINC001479744930 1061671326 /nfs/dbraw/zinc/67/13/26/1061671326.db2.gz GXUREWWOJAPYFO-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1csc(-c2ccoc2)n1 ZINC001479802197 1061800683 /nfs/dbraw/zinc/80/06/83/1061800683.db2.gz MCWXGOUIOMHZRI-UHFFFAOYSA-N 0 3 317.414 2.478 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001479809958 1061821065 /nfs/dbraw/zinc/82/10/65/1061821065.db2.gz HBWVVYYQXDJMDX-MRXNPFEDSA-N 0 3 304.821 2.441 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc2nc(C)ccc2o1)C1CC1 ZINC001479879220 1061978143 /nfs/dbraw/zinc/97/81/43/1061978143.db2.gz DEZZKQHMKMSLTD-UHFFFAOYSA-N 0 3 311.385 2.354 20 30 DEEDHN CO[C@H](CN1CCC[C@H](NC(=O)C#CC(C)C)C1)C1CCC1 ZINC001479903081 1062019373 /nfs/dbraw/zinc/01/93/73/1062019373.db2.gz IVIOBOAOKXCOMP-DLBZAZTESA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCN(CCc2scnc2C)C1 ZINC001479950758 1062092852 /nfs/dbraw/zinc/09/28/52/1062092852.db2.gz IVKJCMKIYDVFEH-OAHLLOKOSA-N 0 3 319.474 2.378 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC001479954889 1062105209 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DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001499006531 1067018777 /nfs/dbraw/zinc/01/87/77/1067018777.db2.gz XAJYZMRYQFTUCD-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN CCCCCCCN1CC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001499007634 1067019894 /nfs/dbraw/zinc/01/98/94/1067019894.db2.gz PJJNWOUODGUVGP-INIZCTEOSA-N 0 3 319.449 2.160 20 30 DEEDHN CCc1nc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)co1 ZINC001499207109 1067142920 /nfs/dbraw/zinc/14/29/20/1067142920.db2.gz QLFLSVKVPDBYKT-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN CC#CCNC1(CNC(=O)c2c(F)ccc3ccncc32)CC1 ZINC001499231011 1067149989 /nfs/dbraw/zinc/14/99/89/1067149989.db2.gz RBSJGARLHUHBGA-UHFFFAOYSA-N 0 3 311.360 2.249 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](N)CCC(C)C ZINC001579033645 1067224495 /nfs/dbraw/zinc/22/44/95/1067224495.db2.gz YLBGQLVHIMNAAF-QGZVFWFLSA-N 0 3 317.433 2.297 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001579139384 1067240964 /nfs/dbraw/zinc/24/09/64/1067240964.db2.gz YVOPAHPTIINOBC-UHFFFAOYSA-N 0 3 323.352 2.301 20 30 DEEDHN COc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)c(C)c1OC ZINC001579192578 1067252936 /nfs/dbraw/zinc/25/29/36/1067252936.db2.gz AQBIEBTWWKQFLS-GXTWGEPZSA-N 0 3 319.405 2.211 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)C3(COC)CCCC3)C2)CC1 ZINC001499582262 1067267201 /nfs/dbraw/zinc/26/72/01/1067267201.db2.gz NDVVMGMNSWJBAI-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNC[C@@H](F)CC)CCOCC1 ZINC001267017155 1078504594 /nfs/dbraw/zinc/50/45/94/1078504594.db2.gz GODCOKPXKYPWSR-AWEZNQCLSA-N 0 3 300.418 2.155 20 30 DEEDHN CSCC[C@H](N)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC001579378492 1067319686 /nfs/dbraw/zinc/31/96/86/1067319686.db2.gz CKRKKNIXLXABIK-GJZGRUSLSA-N 0 3 303.431 2.132 20 30 DEEDHN C=CCCCCCN1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001499746945 1067319884 /nfs/dbraw/zinc/31/98/84/1067319884.db2.gz CGUSYCKWPZPEGA-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C[NH3+] ZINC001579512183 1067357554 /nfs/dbraw/zinc/35/75/54/1067357554.db2.gz OINMBDPTQJJIGY-UHFFFAOYSA-N 0 3 324.384 2.306 20 30 DEEDHN Cc1cc(C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc(C)c1C#N ZINC001579563595 1067372105 /nfs/dbraw/zinc/37/21/05/1067372105.db2.gz LCJKKMPWKXRILQ-IUODEOHRSA-N 0 3 301.390 2.018 20 30 DEEDHN C[C@H](NC[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1cnccn1 ZINC001267039867 1078522384 /nfs/dbraw/zinc/52/23/84/1078522384.db2.gz ZNUXONPUQALCEN-GJZGRUSLSA-N 0 3 314.433 2.025 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)COc2ccsc2)C1 ZINC001267114294 1078591834 /nfs/dbraw/zinc/59/18/34/1078591834.db2.gz ZTZYEKQLEZEMNQ-CQSZACIVSA-N 0 3 306.431 2.073 20 30 DEEDHN C#CCCCC(=O)NCC[C@H](C)N[C@@H](C)c1cnc(C)cn1 ZINC001267125077 1078601246 /nfs/dbraw/zinc/60/12/46/1078601246.db2.gz MUNFKEPHSRHBEG-ZFWWWQNUSA-N 0 3 302.422 2.134 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H](C)CN(C)C(=O)[C@H](C)C#N ZINC001369231545 1148875894 /nfs/dbraw/zinc/87/58/94/1148875894.db2.gz FKDSNGCOQDLTFL-VXGBXAGGSA-N 0 3 323.824 2.445 20 30 DEEDHN CCCCOCCN(C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC001570530818 1067987911 /nfs/dbraw/zinc/98/79/11/1067987911.db2.gz RRZNVJCHAXTTLR-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nn(C)c(C)c1Cl ZINC001570542123 1067995135 /nfs/dbraw/zinc/99/51/35/1067995135.db2.gz PCLLKHQVGPDVLN-LBPRGKRZSA-N 0 3 310.829 2.104 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1(CF)CCC1 ZINC001570540658 1067995795 /nfs/dbraw/zinc/99/57/95/1067995795.db2.gz RBOXOVNZPXNWFB-HNNXBMFYSA-N 0 3 312.429 2.252 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC(=O)Nc1ccccc1C ZINC001570593016 1068025786 /nfs/dbraw/zinc/02/57/86/1068025786.db2.gz OCPHWEHILJSYJK-LSDHHAIUSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC1CCCCCC1 ZINC001570594307 1068028150 /nfs/dbraw/zinc/02/81/50/1068028150.db2.gz ZOKSBTAQBLQDIZ-HUUCEWRRSA-N 0 3 323.481 2.274 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001570597729 1068028822 /nfs/dbraw/zinc/02/88/22/1068028822.db2.gz BPYXRVXLIMKXKL-QWHCGFSZSA-N 0 3 303.431 2.406 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC(=O)Nc1ccccc1 ZINC001570624040 1068041760 /nfs/dbraw/zinc/04/17/60/1068041760.db2.gz IDRQTEHETWPFPZ-ZIAGYGMSSA-N 0 3 317.433 2.320 20 30 DEEDHN CC(C)C#CC(=O)N(C)C1CCC(NCc2cnns2)CC1 ZINC001570660263 1068058572 /nfs/dbraw/zinc/05/85/72/1068058572.db2.gz RMWKTOVIUAQKLS-UHFFFAOYSA-N 0 3 320.462 2.057 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001570710746 1068083361 /nfs/dbraw/zinc/08/33/61/1068083361.db2.gz OHVKLAKMQQZEPZ-LAPNMUGCSA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C/C=C\c1ccccc1 ZINC001570710748 1068086654 /nfs/dbraw/zinc/08/66/54/1068086654.db2.gz OHVKLAKMQQZEPZ-QIHJKWGNSA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCCCC(=O)N(C)C1CCC(NCc2ccn(C)n2)CC1 ZINC001329228652 1148876164 /nfs/dbraw/zinc/87/61/64/1148876164.db2.gz FICVQYRHYQBVRP-UHFFFAOYSA-N 0 3 316.449 2.083 20 30 DEEDHN C#CCC[NH2+]CC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001570792013 1068118797 /nfs/dbraw/zinc/11/87/97/1068118797.db2.gz MFMTXDLEHUUGIJ-UHFFFAOYSA-N 0 3 300.402 2.438 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCOCC(C)C ZINC001570818027 1068127394 /nfs/dbraw/zinc/12/73/94/1068127394.db2.gz KGASTSVADSSMCH-QGZVFWFLSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001570828045 1068130697 /nfs/dbraw/zinc/13/06/97/1068130697.db2.gz DJWCSJSYRUSPCN-MRXNPFEDSA-N 0 3 317.433 2.218 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001570849281 1068138695 /nfs/dbraw/zinc/13/86/95/1068138695.db2.gz DSABJBFESJDECO-RDJZCZTQSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccc(C)o2)C(C)(C)C1 ZINC001570893769 1068152723 /nfs/dbraw/zinc/15/27/23/1068152723.db2.gz ZTDHUWKNRZFZDE-MRXNPFEDSA-N 0 3 320.433 2.160 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC001570905013 1068155756 /nfs/dbraw/zinc/15/57/56/1068155756.db2.gz MKTGXZASNMKFGH-OAHLLOKOSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)CCCn3cccc3)C[C@]2(C)C1 ZINC001571067949 1068176691 /nfs/dbraw/zinc/17/66/91/1068176691.db2.gz BHGJQPFVWYJTES-KDURUIRLSA-N 0 3 313.445 2.072 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2ccn(CC)n2)C1 ZINC001571163728 1068189007 /nfs/dbraw/zinc/18/90/07/1068189007.db2.gz YUSQZVHVLOKSLP-KOMQPUFPSA-N 0 3 318.465 2.490 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)C[C@@H](OCC)C2CC2)cc1 ZINC001267211072 1078668788 /nfs/dbraw/zinc/66/87/88/1078668788.db2.gz STOYIOPFUCXTLZ-GOSISDBHSA-N 0 3 314.429 2.145 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@H]1C ZINC001511168995 1068224219 /nfs/dbraw/zinc/22/42/19/1068224219.db2.gz GGMNNUIRANIWER-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001571328950 1068224472 /nfs/dbraw/zinc/22/44/72/1068224472.db2.gz MDKIZHRYHQJTCT-HNNXBMFYSA-N 0 3 323.481 2.131 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC001571332994 1068228021 /nfs/dbraw/zinc/22/80/21/1068228021.db2.gz ARHLYILFGGQZME-OAHLLOKOSA-N 0 3 318.465 2.445 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc2cccnc2c1 ZINC001480926110 1078679852 /nfs/dbraw/zinc/67/98/52/1078679852.db2.gz QEGMJIFOAJBIFJ-UHFFFAOYSA-N 0 3 313.401 2.099 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1occc1C(C)C ZINC001571401716 1068277358 /nfs/dbraw/zinc/27/73/58/1068277358.db2.gz JGKLADXLANRAAL-CQSZACIVSA-N 0 3 306.406 2.103 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(N2CC=CC2)cc1 ZINC001571403940 1068278105 /nfs/dbraw/zinc/27/81/05/1068278105.db2.gz BIMCUBLBEXZHQA-MRXNPFEDSA-N 0 3 311.429 2.136 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1cc(F)c(F)cc1F ZINC001571407156 1068279786 /nfs/dbraw/zinc/27/97/86/1068279786.db2.gz QAKWCXGLGUFUSK-NSHDSACASA-N 0 3 312.335 2.106 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1c(C)cccc1C ZINC001571407001 1068280527 /nfs/dbraw/zinc/28/05/27/1068280527.db2.gz NFSDLVIAERVZFN-INIZCTEOSA-N 0 3 302.418 2.003 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)C1(c2ccccc2OC)CC1 ZINC001571421113 1068288038 /nfs/dbraw/zinc/28/80/38/1068288038.db2.gz YWWNDDKTGUIAJP-HNNXBMFYSA-N 0 3 314.429 2.187 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)CC2CCCCC2)C1 ZINC001571469598 1068320955 /nfs/dbraw/zinc/32/09/55/1068320955.db2.gz SEIFNBNJVDURIS-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC001571473711 1068326690 /nfs/dbraw/zinc/32/66/90/1068326690.db2.gz VIYXVYQIWABZBI-NVXWUHKLSA-N 0 3 304.434 2.106 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001571480181 1068335265 /nfs/dbraw/zinc/33/52/65/1068335265.db2.gz ANLIQYROTGZRDW-LSDHHAIUSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccon3)[C@@H]2C1 ZINC001571508158 1068367502 /nfs/dbraw/zinc/36/75/02/1068367502.db2.gz BDDIAYLWWJJEKL-USXIJHARSA-N 0 3 315.417 2.195 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CNC(=O)CCC(C)C)[C@@H]1C ZINC001571522481 1068391520 /nfs/dbraw/zinc/39/15/20/1068391520.db2.gz GMFYFAGVQSGBCY-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc2cccc(F)c2o1 ZINC001571609193 1068438334 /nfs/dbraw/zinc/43/83/34/1068438334.db2.gz YIOWEKHOKWUSEW-CYBMUJFWSA-N 0 3 320.364 2.123 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1CCc1ccnn1C ZINC001267268087 1078716024 /nfs/dbraw/zinc/71/60/24/1078716024.db2.gz VZHFWGSIYRSQSH-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN CN(C(=O)C#CC1CC1)C1CC(NCc2cnc(Cl)s2)C1 ZINC001571656978 1068464003 /nfs/dbraw/zinc/46/40/03/1068464003.db2.gz QJBCGRDAUFDOHA-UHFFFAOYSA-N 0 3 323.849 2.289 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001267280185 1078726233 /nfs/dbraw/zinc/72/62/33/1078726233.db2.gz BBRWWJNEZXESRU-CVEARBPZSA-N 0 3 300.402 2.058 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)COc1ccccc1F ZINC001267280712 1078727022 /nfs/dbraw/zinc/72/70/22/1078727022.db2.gz CTPTYGXPSKJFQS-CQSZACIVSA-N 0 3 306.381 2.361 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001571857242 1068555082 /nfs/dbraw/zinc/55/50/82/1068555082.db2.gz USQVBZGGBGSLSS-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccnn1C1CCCC1 ZINC001267314953 1078759452 /nfs/dbraw/zinc/75/94/52/1078759452.db2.gz XDFMWGAWWDIHCA-UHFFFAOYSA-N 0 3 316.449 2.463 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001483666672 1078764484 /nfs/dbraw/zinc/76/44/84/1078764484.db2.gz UXWVRKKLMZHIKG-UKRRQHHQSA-N 0 3 303.406 2.249 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)c1cscn1 ZINC001267354235 1078787378 /nfs/dbraw/zinc/78/73/78/1078787378.db2.gz GFTRXMGXNPGVKA-UHFFFAOYSA-N 0 3 318.377 2.016 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)CC[C@H]1CCOC1)c1ccccc1 ZINC001267357982 1078790920 /nfs/dbraw/zinc/79/09/20/1078790920.db2.gz VTJZONDBFHSDJP-WMZOPIPTSA-N 0 3 314.429 2.274 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC001514884917 1068798303 /nfs/dbraw/zinc/79/83/03/1068798303.db2.gz UZBATRPRXPAWSB-ROUUACIJSA-N 0 3 315.461 2.403 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001272308558 1078797794 /nfs/dbraw/zinc/79/77/94/1078797794.db2.gz BTLMNDGWUQDDHW-UONOGXRCSA-N 0 3 319.453 2.090 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@H]2OCC)CCCC1 ZINC001481889986 1080585040 /nfs/dbraw/zinc/58/50/40/1080585040.db2.gz KTTICEMXVZYVPX-OLZOCXBDSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001267370610 1078799579 /nfs/dbraw/zinc/79/95/79/1078799579.db2.gz REMIJGGBDAAXPA-KSZLIROESA-N 0 3 324.428 2.157 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](NC[C@@H](C)O)c2ccccc2)C1 ZINC001267370770 1078799699 /nfs/dbraw/zinc/79/96/99/1078799699.db2.gz UGPZSHMIOXBBQQ-GDBMZVCRSA-N 0 3 302.418 2.171 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H]1CCCN1C ZINC001572672397 1068876358 /nfs/dbraw/zinc/87/63/58/1068876358.db2.gz KOMIYCHDTMKLMH-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@H](CC)N(C)C ZINC001572682477 1068878595 /nfs/dbraw/zinc/87/85/95/1068878595.db2.gz FOJFIEONGVZADV-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1ccc(Cl)nc1 ZINC001267802893 1079505864 /nfs/dbraw/zinc/50/58/64/1079505864.db2.gz GNYAQWSUJLIJBJ-AWEZNQCLSA-N 0 3 307.825 2.379 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCN1CC[C@H](C)F ZINC001483696594 1078815659 /nfs/dbraw/zinc/81/56/59/1078815659.db2.gz LILIBYLIYSKCFY-WMLDXEAASA-N 0 3 302.393 2.149 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2([C@H]3CCCO3)CCC2)CC1 ZINC001518937700 1069024055 /nfs/dbraw/zinc/02/40/55/1069024055.db2.gz VJPMCYQLXWYEFH-OAHLLOKOSA-N 0 3 307.438 2.038 20 30 DEEDHN C=CC[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccncc1 ZINC001518995587 1069026143 /nfs/dbraw/zinc/02/61/43/1069026143.db2.gz FBELQQDIHVMVAA-HOTGVXAUSA-N 0 3 302.422 2.482 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC)OCC ZINC001267410528 1078832496 /nfs/dbraw/zinc/83/24/96/1078832496.db2.gz SHAKKBMYJOPIQO-NXOAAHMSSA-N 0 3 324.465 2.068 20 30 DEEDHN Cc1ncccc1C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001267421353 1078840187 /nfs/dbraw/zinc/84/01/87/1078840187.db2.gz YJUUSPRSTVOBMN-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C=CCCCN(C)CCNC(=O)c1cc(=O)c2ccccc2o1 ZINC001480941658 1078868190 /nfs/dbraw/zinc/86/81/90/1078868190.db2.gz PXSIBTCXUSSAHB-UHFFFAOYSA-N 0 3 314.385 2.421 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2cccc(OC)c2)CC1 ZINC001574851261 1069276932 /nfs/dbraw/zinc/27/69/32/1069276932.db2.gz DBZAPIQJFQFOIW-AWEZNQCLSA-N 0 3 308.809 2.313 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCCNC(=O)OC(C)(C)C ZINC001574901870 1069290619 /nfs/dbraw/zinc/29/06/19/1069290619.db2.gz VRDZKNVZFANLPZ-CYBMUJFWSA-N 0 3 313.442 2.043 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001574902733 1069291258 /nfs/dbraw/zinc/29/12/58/1069291258.db2.gz DZUUHEKUYVOEGZ-PWSUYJOCSA-N 0 3 302.378 2.129 20 30 DEEDHN C=CCOCCN1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001574943252 1069301601 /nfs/dbraw/zinc/30/16/01/1069301601.db2.gz FKYMNAKVBLRPSX-HZPDHXFCSA-N 0 3 302.418 2.171 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001574963473 1069309001 /nfs/dbraw/zinc/30/90/01/1069309001.db2.gz VDHMGNLSBCJYRE-CJNGLKHVSA-N 0 3 319.836 2.118 20 30 DEEDHN CCCCCCCN1CC[C@]2(C1)CN([C@@H](C)C(C)=O)C(=O)CO2 ZINC001272475897 1078907929 /nfs/dbraw/zinc/90/79/29/1078907929.db2.gz FOZOTDQOLAMTCR-YJBOKZPZSA-N 0 3 324.465 2.238 20 30 DEEDHN C=CCOCCN[C@H](CNC(=O)C#CC(C)C)c1ccccc1 ZINC001267519650 1078948735 /nfs/dbraw/zinc/94/87/35/1078948735.db2.gz HRQXMGWNBSUIOA-GOSISDBHSA-N 0 3 314.429 2.296 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnc2n[nH]cc2c1)c1ccccc1 ZINC001267521585 1078950886 /nfs/dbraw/zinc/95/08/86/1078950886.db2.gz UKXMUNFKLUTTDG-INIZCTEOSA-N 0 3 321.384 2.205 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnc2n[nH]cc2c1)c1ccccc1 ZINC001267521588 1078951123 /nfs/dbraw/zinc/95/11/23/1078951123.db2.gz UKXMUNFKLUTTDG-MRXNPFEDSA-N 0 3 321.384 2.205 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2cscn2)C1 ZINC001272582713 1078982850 /nfs/dbraw/zinc/98/28/50/1078982850.db2.gz SXPGLXLUQPQAKW-LBPRGKRZSA-N 0 3 313.854 2.266 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)CCCC(C)C)C1 ZINC001267564496 1078998511 /nfs/dbraw/zinc/99/85/11/1078998511.db2.gz BYEONZKYDWVNAC-KRWDZBQOSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(CC)Cc1ccccc1C ZINC001480971254 1079015298 /nfs/dbraw/zinc/01/52/98/1079015298.db2.gz GDVJUMLKLBZDMG-SFHVURJKSA-N 0 3 304.434 2.260 20 30 DEEDHN C[C@@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)C#CC1CC1 ZINC001649450112 1079124932 /nfs/dbraw/zinc/12/49/32/1079124932.db2.gz VNRPBLKRISKCCK-LBPRGKRZSA-N 0 3 306.356 2.315 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)CC(F)(F)C(F)F)C2)C1 ZINC001483834001 1079142466 /nfs/dbraw/zinc/14/24/66/1079142466.db2.gz UBDJVASFXLWKKJ-AWEZNQCLSA-N 0 3 320.330 2.225 20 30 DEEDHN COCC#CCN1CC[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001483847820 1079148316 /nfs/dbraw/zinc/14/83/16/1079148316.db2.gz KNVLCUKEHZUIGL-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN CC[C@@H](C)CCC(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001483846862 1079148823 /nfs/dbraw/zinc/14/88/23/1079148823.db2.gz CTNZNBNLFLKPBZ-IEBWSBKVSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCN1CC(N(C)C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001483865807 1079159185 /nfs/dbraw/zinc/15/91/85/1079159185.db2.gz VAPFHOQKSIPSSE-CQSZACIVSA-N 0 3 304.438 2.115 20 30 DEEDHN Cc1ccc(CN2CC[C@H](CNC(=O)C#CC3CC3)C2)c(C)n1 ZINC001481088552 1079171051 /nfs/dbraw/zinc/17/10/51/1079171051.db2.gz YYEDNPIZSWSBGB-QGZVFWFLSA-N 0 3 311.429 2.050 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001481101232 1079183437 /nfs/dbraw/zinc/18/34/37/1079183437.db2.gz HVZWLQKFBKRJGM-STQMWFEESA-N 0 3 306.356 2.140 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N[C@H](C)C(C)C ZINC001483931616 1079193536 /nfs/dbraw/zinc/19/35/36/1079193536.db2.gz VVIKRMFDDKWSKY-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001267613654 1079220220 /nfs/dbraw/zinc/22/02/20/1079220220.db2.gz ORHCAUFSPMYKAD-HZPDHXFCSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCC[C@H](O)CNCc1ccc(Br)nc1OC ZINC001252619121 1093601444 /nfs/dbraw/zinc/60/14/44/1093601444.db2.gz JGQLFVNCCSEFBF-NSHDSACASA-N 0 3 315.211 2.269 20 30 DEEDHN C#CCN(C(=O)c1ccc(C)cc1)C1CCN(CCOC)CC1 ZINC001483988930 1079228591 /nfs/dbraw/zinc/22/85/91/1079228591.db2.gz QXYLQDLVEAWJKD-UHFFFAOYSA-N 0 3 314.429 2.181 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1c2ccccc2NC1=O ZINC001646898898 1074679870 /nfs/dbraw/zinc/67/98/70/1074679870.db2.gz UCIHUAYVZCGIRT-QWHCGFSZSA-N 0 3 308.341 2.205 20 30 DEEDHN CCc1cccc(CN(C)[C@H](C)CNC(=O)CSCC#N)c1 ZINC001329387485 1148890220 /nfs/dbraw/zinc/89/02/20/1148890220.db2.gz ZMGSGJQGPSYJFL-CQSZACIVSA-N 0 3 319.474 2.442 20 30 DEEDHN N#Cc1ccc(Cn2cc(CNCC3CC3)nn2)c(Cl)c1 ZINC001649972504 1079330425 /nfs/dbraw/zinc/33/04/25/1079330425.db2.gz ZFJAKFNVOVCHME-UHFFFAOYSA-N 0 3 301.781 2.351 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001481200555 1079333625 /nfs/dbraw/zinc/33/36/25/1079333625.db2.gz ROSLPMMLZCIOQE-UHFFFAOYSA-N 0 3 315.377 2.229 20 30 DEEDHN Cc1ncc(CN(C)C[C@@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001267646191 1079335489 /nfs/dbraw/zinc/33/54/89/1079335489.db2.gz MYAHPVCKSOOXQH-HNNXBMFYSA-N 0 3 319.474 2.391 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001484165153 1079339341 /nfs/dbraw/zinc/33/93/41/1079339341.db2.gz NHZYJDGSMWPHGY-CRAIPNDOSA-N 0 3 318.465 2.318 20 30 DEEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(F)c(C#N)c2N)C1 ZINC001648137998 1074987710 /nfs/dbraw/zinc/98/77/10/1074987710.db2.gz DAUYFGSCSHZKQW-MRXNPFEDSA-N 0 3 322.359 2.431 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)COc2ccsc2)C1 ZINC001484174924 1079345578 /nfs/dbraw/zinc/34/55/78/1079345578.db2.gz SGEZUGJLAZRGPV-QGZVFWFLSA-N 0 3 320.458 2.369 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001565872322 1075061153 /nfs/dbraw/zinc/06/11/53/1075061153.db2.gz KZWYKAUSOZRGSC-GDLHICMESA-N 0 3 319.453 2.261 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001559960776 1075130814 /nfs/dbraw/zinc/13/08/14/1075130814.db2.gz XTWJVEKVMDRYOK-KZNAEPCWSA-N 0 3 312.413 2.121 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001565821690 1075188947 /nfs/dbraw/zinc/18/89/47/1075188947.db2.gz ORDBRQPTEHNPCZ-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001565834961 1075193372 /nfs/dbraw/zinc/19/33/72/1075193372.db2.gz FGUUDXICLGILGP-MSOLQXFVSA-N 0 3 315.461 2.398 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccn(C)n1 ZINC001565944018 1075209663 /nfs/dbraw/zinc/20/96/63/1075209663.db2.gz YLOJVDUZCPZNRB-IUODEOHRSA-N 0 3 324.856 2.393 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCCOCC)C(C)(C)[C@H]21 ZINC001565993662 1075213864 /nfs/dbraw/zinc/21/38/64/1075213864.db2.gz VMHSXQUCHOKPIC-PVAVHDDUSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCCCOC)C(C)(C)[C@H]21 ZINC001565993402 1075213982 /nfs/dbraw/zinc/21/39/82/1075213982.db2.gz RXUYMFLVEUYKPW-NJAFHUGGSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001566094574 1075228335 /nfs/dbraw/zinc/22/83/35/1075228335.db2.gz OOYXLGAIZLDQAK-GLQYFDAESA-N 0 3 304.438 2.285 20 30 DEEDHN CC(C)COCCN(C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001566122206 1075231487 /nfs/dbraw/zinc/23/14/87/1075231487.db2.gz OEHNVMRCRRBJRG-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cscc1Cl ZINC001566463805 1075251120 /nfs/dbraw/zinc/25/11/20/1075251120.db2.gz MEZGBLSUOXLUFE-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(C)Cc2cccnc2)cc1 ZINC001566480843 1075255253 /nfs/dbraw/zinc/25/52/53/1075255253.db2.gz WCEIAEVCWUIMLC-UHFFFAOYSA-N 0 3 307.397 2.315 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001267695222 1079384791 /nfs/dbraw/zinc/38/47/91/1079384791.db2.gz ODLGWOZOGVCQHY-HXUWFJFHSA-N 0 3 310.441 2.352 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CCC[C@@H](F)C1)C1CC1 ZINC001566587916 1075290443 /nfs/dbraw/zinc/29/04/43/1075290443.db2.gz XUDCOWDSJMOJDM-JKSUJKDBSA-N 0 3 324.440 2.135 20 30 DEEDHN CC#CCN(CCCNC(=O)Cc1c[nH]c2cnccc12)C1CC1 ZINC001566594260 1075292188 /nfs/dbraw/zinc/29/21/88/1075292188.db2.gz ONORDICGBFYWLA-UHFFFAOYSA-N 0 3 324.428 2.099 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CC[C@@H]1CCCO1 ZINC001481208870 1079383106 /nfs/dbraw/zinc/38/31/06/1079383106.db2.gz IOAHYLXQFOTBBF-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC001566596104 1075293148 /nfs/dbraw/zinc/29/31/48/1075293148.db2.gz WNOFTSTVHPCPOW-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001566691518 1075318535 /nfs/dbraw/zinc/31/85/35/1075318535.db2.gz OHGOGQHAEWQAEB-SJORKVTESA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncs1 ZINC001566752727 1075336219 /nfs/dbraw/zinc/33/62/19/1075336219.db2.gz LNQWCDMSMAHILT-OKILXGFUSA-N 0 3 305.447 2.327 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCC(=O)NC(CC)CC)C1 ZINC001566770668 1075340290 /nfs/dbraw/zinc/34/02/90/1075340290.db2.gz GXKJSVRBKXVMPP-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001566773185 1075340514 /nfs/dbraw/zinc/34/05/14/1075340514.db2.gz COCBGSDWDAQUGX-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC001566874527 1075370465 /nfs/dbraw/zinc/37/04/65/1075370465.db2.gz BSRFOWHKOTYZCE-HNNXBMFYSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001566928297 1075390086 /nfs/dbraw/zinc/39/00/86/1075390086.db2.gz CXSJMUQMOIPMRO-HOTGVXAUSA-N 0 3 304.438 2.381 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001567052428 1075423849 /nfs/dbraw/zinc/42/38/49/1075423849.db2.gz DFVNXYFVWXBVKA-HUUCEWRRSA-N 0 3 320.408 2.063 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001567097822 1075431328 /nfs/dbraw/zinc/43/13/28/1075431328.db2.gz KEYUIPSBCRGZLM-HNNXBMFYSA-N 0 3 304.821 2.405 20 30 DEEDHN Cc1nc(CN[C@H](C)CCNC(=O)C#CC2CC2)sc1C ZINC001567215194 1075465816 /nfs/dbraw/zinc/46/58/16/1075465816.db2.gz PTKNQORPDAFHBK-LLVKDONJSA-N 0 3 305.447 2.158 20 30 DEEDHN COCC(=O)NCCC[C@@H]1CCCN1Cc1ccccc1C#N ZINC001567241201 1075471016 /nfs/dbraw/zinc/47/10/16/1075471016.db2.gz DUOVTAQHRPLJJE-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H](F)C2)cc1 ZINC001650163462 1079430492 /nfs/dbraw/zinc/43/04/92/1079430492.db2.gz OVEBDMNQYYYQAD-UONOGXRCSA-N 0 3 310.394 2.202 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNCC(=O)N1CCCC[C@H]1CC ZINC001481235681 1079444515 /nfs/dbraw/zinc/44/45/15/1079444515.db2.gz WOEIPGKWOLNINJ-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)cc1OC ZINC001620831514 1076386443 /nfs/dbraw/zinc/38/64/43/1076386443.db2.gz WYLRMZXVHYMVAQ-AWEZNQCLSA-N 0 3 316.401 2.113 20 30 DEEDHN C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588336447 1076442529 /nfs/dbraw/zinc/44/25/29/1076442529.db2.gz ALPPMOYYMVHIGF-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588336447 1076442531 /nfs/dbraw/zinc/44/25/31/1076442531.db2.gz ALPPMOYYMVHIGF-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(-c3nn[n-]n3)c2)C1 ZINC001588336447 1076442532 /nfs/dbraw/zinc/44/25/32/1076442532.db2.gz ALPPMOYYMVHIGF-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(-c3nn[n-]n3)c2)C1 ZINC001588336447 1076442534 /nfs/dbraw/zinc/44/25/34/1076442534.db2.gz ALPPMOYYMVHIGF-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001588374008 1076444342 /nfs/dbraw/zinc/44/43/42/1076444342.db2.gz YCFJUIJQQSUFJI-UHFFFAOYSA-N 0 3 307.332 2.277 20 30 DEEDHN C=CC[C@H](C)[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588539584 1076452948 /nfs/dbraw/zinc/45/29/48/1076452948.db2.gz QPFVDSPAXASSRH-AWEZNQCLSA-N 0 3 312.421 2.343 20 30 DEEDHN C=CC[C@H](C)[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588539584 1076452953 /nfs/dbraw/zinc/45/29/53/1076452953.db2.gz QPFVDSPAXASSRH-AWEZNQCLSA-N 0 3 312.421 2.343 20 30 DEEDHN C=CC[C@H](C)[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588539584 1076452955 /nfs/dbraw/zinc/45/29/55/1076452955.db2.gz QPFVDSPAXASSRH-AWEZNQCLSA-N 0 3 312.421 2.343 20 30 DEEDHN C=CC[C@H](C)[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588539584 1076452957 /nfs/dbraw/zinc/45/29/57/1076452957.db2.gz QPFVDSPAXASSRH-AWEZNQCLSA-N 0 3 312.421 2.343 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCO[C@H]1C ZINC001588648118 1076459949 /nfs/dbraw/zinc/45/99/49/1076459949.db2.gz GXRPQURRPWFEEJ-XJKSGUPXSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCO[C@H]1C ZINC001588648118 1076459953 /nfs/dbraw/zinc/45/99/53/1076459953.db2.gz GXRPQURRPWFEEJ-XJKSGUPXSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCO[C@H]1C ZINC001588648118 1076459955 /nfs/dbraw/zinc/45/99/55/1076459955.db2.gz GXRPQURRPWFEEJ-XJKSGUPXSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCO[C@H]1C ZINC001588648118 1076459960 /nfs/dbraw/zinc/45/99/60/1076459960.db2.gz GXRPQURRPWFEEJ-XJKSGUPXSA-N 0 3 313.405 2.280 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609051355 1077748934 /nfs/dbraw/zinc/74/89/34/1077748934.db2.gz WSXWOWVQBHXVLH-WQVCFCJDSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609051355 1077748936 /nfs/dbraw/zinc/74/89/36/1077748936.db2.gz WSXWOWVQBHXVLH-WQVCFCJDSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2ccnc(OC)c2)C1 ZINC001267818428 1079513570 /nfs/dbraw/zinc/51/35/70/1079513570.db2.gz GJPDSWGNSZMUKL-HNNXBMFYSA-N 0 3 317.433 2.431 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccc(F)c(Cl)c1F ZINC001481276435 1079552838 /nfs/dbraw/zinc/55/28/38/1079552838.db2.gz AKZAIUXXHQYNND-UHFFFAOYSA-N 0 3 300.736 2.303 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CO[C@H](C)CC)C1 ZINC001484515646 1079638610 /nfs/dbraw/zinc/63/86/10/1079638610.db2.gz IOEFMKCNOUHVJP-ZIAGYGMSSA-N 0 3 302.846 2.382 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CCc2ccncc2)cc1 ZINC001267936611 1079618340 /nfs/dbraw/zinc/61/83/40/1079618340.db2.gz JEVWDQHVMZJVIY-UHFFFAOYSA-N 0 3 307.397 2.053 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cc(CCC)n[nH]2)cc1 ZINC001267937602 1079618845 /nfs/dbraw/zinc/61/88/45/1079618845.db2.gz ZWUXVJDTACRZIU-UHFFFAOYSA-N 0 3 324.428 2.405 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCOCC(F)(F)F)C1 ZINC001267950346 1079629669 /nfs/dbraw/zinc/62/96/69/1079629669.db2.gz ZSJGOLNQSWNCRD-GFCCVEGCSA-N 0 3 308.344 2.112 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](OC)C2CC2)cc1 ZINC001484559246 1079659629 /nfs/dbraw/zinc/65/96/29/1079659629.db2.gz OSZKGKJJQGPQEO-KBXCAEBGSA-N 0 3 314.429 2.402 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)/C=C\c1ccc[nH]1 ZINC001267979262 1079662061 /nfs/dbraw/zinc/66/20/61/1079662061.db2.gz KUDBVYBAYOYPTN-CDNLZTBQSA-N 0 3 322.412 2.442 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)CCC1 ZINC001484654257 1079710726 /nfs/dbraw/zinc/71/07/26/1079710726.db2.gz DLDRQKYLCHEFDG-UHFFFAOYSA-N 0 3 322.412 2.342 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](N2CCN(CCC)CC2)C1 ZINC001484703985 1079729877 /nfs/dbraw/zinc/72/98/77/1079729877.db2.gz MFWNTJXZMBUWRH-GOSISDBHSA-N 0 3 319.493 2.199 20 30 DEEDHN COCCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001484705624 1079731969 /nfs/dbraw/zinc/73/19/69/1079731969.db2.gz WSHWYAPYJAPBSK-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001484719731 1079754867 /nfs/dbraw/zinc/75/48/67/1079754867.db2.gz CTCQTTAGYRSNLQ-MRXNPFEDSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)Cc1ccc(C)nc1)c1ccccc1 ZINC001481373160 1079765312 /nfs/dbraw/zinc/76/53/12/1079765312.db2.gz VLVDGXJWDKSHRW-IBGZPJMESA-N 0 3 321.424 2.403 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(Cl)nc1 ZINC001484735934 1079768662 /nfs/dbraw/zinc/76/86/62/1079768662.db2.gz FKCWGZFKIHILKN-GFCCVEGCSA-N 0 3 308.813 2.175 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)OCCC(C)C)C2 ZINC001484829798 1079810560 /nfs/dbraw/zinc/81/05/60/1079810560.db2.gz LMYKDGDONIZDSW-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCC[C@H](O)CNCc1ccc(C(F)(F)F)nc1N(C)C ZINC001651499621 1079815227 /nfs/dbraw/zinc/81/52/27/1079815227.db2.gz GWOAWMGWIRYVMG-LBPRGKRZSA-N 0 3 315.339 2.030 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2cnc(C)s2)C1 ZINC001484886060 1079836876 /nfs/dbraw/zinc/83/68/76/1079836876.db2.gz YPZXOPSKYVARGS-SWLSCSKDSA-N 0 3 305.447 2.192 20 30 DEEDHN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NCC#Cc1ccc(F)cc1 ZINC001484886490 1079837147 /nfs/dbraw/zinc/83/71/47/1079837147.db2.gz DITXRIKAJLDRCT-PBHICJAKSA-N 0 3 314.404 2.414 20 30 DEEDHN N#Cc1cncnc1N1CCN(c2ccnc3ccccc32)CC1 ZINC001652002578 1079844811 /nfs/dbraw/zinc/84/48/11/1079844811.db2.gz ZEOCIEAPZZGVHY-UHFFFAOYSA-N 0 3 316.368 2.223 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCOCC(F)F)[C@H](C)C1 ZINC001484968482 1079885257 /nfs/dbraw/zinc/88/52/57/1079885257.db2.gz QXKJUMNNXRBMOJ-CHWSQXEVSA-N 0 3 304.381 2.203 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2ccc(CC)cc2)C[C@@H]1C ZINC001484984994 1079898429 /nfs/dbraw/zinc/89/84/29/1079898429.db2.gz AOHGSAQGYPHPME-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1nccn1C(F)F ZINC001484996713 1079905592 /nfs/dbraw/zinc/90/55/92/1079905592.db2.gz IFMDANDGMUQSMH-NSHDSACASA-N 0 3 314.380 2.475 20 30 DEEDHN CCCCNC(=O)OC[C@@H]1CCCCN1CCOCCC#N ZINC001653580263 1079933645 /nfs/dbraw/zinc/93/36/45/1079933645.db2.gz ACXGXEHGKULGNA-HNNXBMFYSA-N 0 3 311.426 2.297 20 30 DEEDHN C[C@@H](NC(=O)c1cccn1C)[C@H](C)NCC#Cc1ccccc1 ZINC001485123666 1080001774 /nfs/dbraw/zinc/00/17/74/1080001774.db2.gz GKDQKEVPTQXVEG-JKSUJKDBSA-N 0 3 309.413 2.173 20 30 DEEDHN Cc1cc(CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)sn1 ZINC001485145408 1080011746 /nfs/dbraw/zinc/01/17/46/1080011746.db2.gz ULZVJEHAJYRKHX-QWHCGFSZSA-N 0 3 307.463 2.484 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2csnn2)C1 ZINC001481536486 1080022283 /nfs/dbraw/zinc/02/22/83/1080022283.db2.gz YRFQXZBLACVNCY-ZDUSSCGKSA-N 0 3 308.451 2.479 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCC(=O)NC(CC)CC)C1 ZINC001268085316 1080039368 /nfs/dbraw/zinc/03/93/68/1080039368.db2.gz OTKATAHPTBZNET-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001268086875 1080042869 /nfs/dbraw/zinc/04/28/69/1080042869.db2.gz SGHPFRHZQZXYBO-RYUDHWBXSA-N 0 3 307.442 2.213 20 30 DEEDHN Cc1nc(C)c(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)[nH]1 ZINC001268086389 1080043367 /nfs/dbraw/zinc/04/33/67/1080043367.db2.gz LZLVPRCSAUTODK-CQSZACIVSA-N 0 3 324.428 2.128 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001656122692 1080050557 /nfs/dbraw/zinc/05/05/57/1080050557.db2.gz VXNLGLSGFJVVOV-XBXGTLAGSA-N 0 3 324.371 2.152 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)N(C)C)CCCC1 ZINC001268102334 1080074056 /nfs/dbraw/zinc/07/40/56/1080074056.db2.gz SPQARKIGIVMMJY-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)OCC3CC3)C2)CC1 ZINC001656394720 1080085319 /nfs/dbraw/zinc/08/53/19/1080085319.db2.gz YDRHGXRXCZZKCQ-CVEARBPZSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1cn(C)cn1 ZINC001656430668 1080089388 /nfs/dbraw/zinc/08/93/88/1080089388.db2.gz WNULMFFJKQZTJF-IUODEOHRSA-N 0 3 324.856 2.393 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnon1 ZINC001656448230 1080092659 /nfs/dbraw/zinc/09/26/59/1080092659.db2.gz NFKAPFFISPMZSE-GXFFZTMASA-N 0 3 312.801 2.043 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC001656770952 1080121358 /nfs/dbraw/zinc/12/13/58/1080121358.db2.gz DEPKJJZCUUPYTE-QGZVFWFLSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001657067394 1080152347 /nfs/dbraw/zinc/15/23/47/1080152347.db2.gz TXTPHVDULRUAPV-KRWDZBQOSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ncccc1C(F)(F)F ZINC001485369880 1080173144 /nfs/dbraw/zinc/17/31/44/1080173144.db2.gz YMIXPMLVGCDRSE-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2c(C)ncn2C)C1 ZINC001493954609 1080175400 /nfs/dbraw/zinc/17/54/00/1080175400.db2.gz DAJZSMYRFWWSTO-OAHLLOKOSA-N 0 3 304.438 2.231 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCn2cc(Cl)cn2)C1 ZINC001268236642 1080218261 /nfs/dbraw/zinc/21/82/61/1080218261.db2.gz KUIUGXMRBXCEDB-AWEZNQCLSA-N 0 3 310.829 2.083 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCCC[C@H]1n1cccn1 ZINC001268238776 1080220476 /nfs/dbraw/zinc/22/04/76/1080220476.db2.gz KYHPZTTZMNWVGE-DLBZAZTESA-N 0 3 316.449 2.028 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001268237995 1080220830 /nfs/dbraw/zinc/22/08/30/1080220830.db2.gz TVAGNYNZVNGXKJ-GJZGRUSLSA-N 0 3 320.408 2.315 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)Cc1cn(C)c2ccccc12 ZINC001268246831 1080229114 /nfs/dbraw/zinc/22/91/14/1080229114.db2.gz CNACOOCKEZTMDC-UHFFFAOYSA-N 0 3 311.429 2.134 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001485521095 1080278779 /nfs/dbraw/zinc/27/87/79/1080278779.db2.gz YDHYHWSXPNKOET-GOEBONIOSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001481688452 1080299105 /nfs/dbraw/zinc/29/91/05/1080299105.db2.gz PZIXICMGPURDMX-SFHVURJKSA-N 0 3 314.429 2.034 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CN(CCO)CC1(C)C)c1ccccc1 ZINC001485587380 1080325348 /nfs/dbraw/zinc/32/53/48/1080325348.db2.gz UXSXMEARWUALEP-IAGOWNOFSA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cncn1C ZINC001660433539 1080331540 /nfs/dbraw/zinc/33/15/40/1080331540.db2.gz UIWJOCAVCXERIU-HOCLYGCPSA-N 0 3 304.438 2.246 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1csc(=O)[nH]1 ZINC001485737960 1080399660 /nfs/dbraw/zinc/39/96/60/1080399660.db2.gz YVNWMSZDVUCTMQ-VIFPVBQESA-N 0 3 303.815 2.089 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2ccc(OC)nc2)C1 ZINC001481733243 1080403916 /nfs/dbraw/zinc/40/39/16/1080403916.db2.gz DVYNACYNUMZAGG-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1cc(C(C)C)oc1C ZINC001485777212 1080417507 /nfs/dbraw/zinc/41/75/07/1080417507.db2.gz NMNAMRYHBUPBEA-UHFFFAOYSA-N 0 3 306.406 2.023 20 30 DEEDHN Cc1cc(CN(C)CCOCCNC(=O)[C@@H](C)C#N)c(C)s1 ZINC001485769072 1080425350 /nfs/dbraw/zinc/42/53/50/1080425350.db2.gz BNKNTTSUIGBGCW-LBPRGKRZSA-N 0 3 323.462 2.089 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2snnc2CC)C1 ZINC001661004224 1080426167 /nfs/dbraw/zinc/42/61/67/1080426167.db2.gz UVICLNQDANLQOH-NEPJUHHUSA-N 0 3 308.451 2.259 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001661003648 1080426882 /nfs/dbraw/zinc/42/68/82/1080426882.db2.gz AGMJKIYQIQNLLA-LBPRGKRZSA-N 0 3 316.430 2.462 20 30 DEEDHN CCc1nc(CN[C@H](CCNC(=O)[C@@H](C)C#N)C(C)C)cs1 ZINC001485782690 1080431244 /nfs/dbraw/zinc/43/12/44/1080431244.db2.gz YOTXXEFSPIIOJB-GXTWGEPZSA-N 0 3 322.478 2.486 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001481750127 1080437881 /nfs/dbraw/zinc/43/78/81/1080437881.db2.gz HAWPFPKCNCJIFI-CVEARBPZSA-N 0 3 300.402 2.010 20 30 DEEDHN C=C(Br)CNCCCOCCNC(=O)C(C)(C)C ZINC001485794064 1080438051 /nfs/dbraw/zinc/43/80/51/1080438051.db2.gz IHGRCPRGBRRDJQ-UHFFFAOYSA-N 0 3 321.259 2.054 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001661291402 1080467863 /nfs/dbraw/zinc/46/78/63/1080467863.db2.gz YOXLTWJLKUQCDN-HNNXBMFYSA-N 0 3 301.365 2.354 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001661381625 1080475814 /nfs/dbraw/zinc/47/58/14/1080475814.db2.gz CSCNNLCDBINOAP-AWEZNQCLSA-N 0 3 324.371 2.248 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](N[C@H](C)c2cnccn2)C1 ZINC001661471626 1080485084 /nfs/dbraw/zinc/48/50/84/1080485084.db2.gz XBJMMGLLWBGHQJ-VMUDFCTBSA-N 0 3 302.422 2.377 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](OCC)C(C)C)C1 ZINC001481768661 1080485047 /nfs/dbraw/zinc/48/50/47/1080485047.db2.gz QZUGQVJGKIDUTD-SJORKVTESA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2cncc(C)c2)C1 ZINC001481769754 1080487957 /nfs/dbraw/zinc/48/79/57/1080487957.db2.gz CZFWIUCOBYAONB-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccncc1)NCC#Cc1ccccc1 ZINC001481785382 1080498011 /nfs/dbraw/zinc/49/80/11/1080498011.db2.gz FVKAVQNPJXZXSL-SFHVURJKSA-N 0 3 307.397 2.231 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001124901683 1080518220 /nfs/dbraw/zinc/51/82/20/1080518220.db2.gz BQZHZFWUXSJQOI-VIFPVBQESA-N 0 3 300.189 2.359 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](CC)NCc1cc(C)ccc1F ZINC001481809490 1080518456 /nfs/dbraw/zinc/51/84/56/1080518456.db2.gz URAGLGZSHYNEKQ-MAUKXSAKSA-N 0 3 322.424 2.446 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)cnc1OC(C)C ZINC001662071598 1080566981 /nfs/dbraw/zinc/56/69/81/1080566981.db2.gz KHBXWUOSRNXLMP-UHFFFAOYSA-N 0 3 318.421 2.254 20 30 DEEDHN C[C@H](CNC(=O)CSCC#N)NCc1cc2ccccc2o1 ZINC001662170001 1080576618 /nfs/dbraw/zinc/57/66/18/1080576618.db2.gz XZHBRCQGHHVLPE-GFCCVEGCSA-N 0 3 317.414 2.284 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001662324614 1080596833 /nfs/dbraw/zinc/59/68/33/1080596833.db2.gz KYOZUHXDWQKQFJ-ZIAGYGMSSA-N 0 3 322.836 2.188 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1c(F)ccc(F)c1Cl ZINC001662344708 1080599968 /nfs/dbraw/zinc/59/99/68/1080599968.db2.gz FRZBSBCXPVLIRS-SECBINFHSA-N 0 3 300.736 2.349 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)Cc1cccc2ccccc21 ZINC001662395687 1080604197 /nfs/dbraw/zinc/60/41/97/1080604197.db2.gz ZDPITXGKAANAAJ-MRXNPFEDSA-N 0 3 324.424 2.126 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)COc1ccccc1C(C)C ZINC001662410438 1080605166 /nfs/dbraw/zinc/60/51/66/1080605166.db2.gz OBCZGWOYEFJGBU-HNNXBMFYSA-N 0 3 302.418 2.306 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001662470234 1080610853 /nfs/dbraw/zinc/61/08/53/1080610853.db2.gz IWQURCAVCGGDMY-ZFWWWQNUSA-N 0 3 308.447 2.420 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001662635895 1080625565 /nfs/dbraw/zinc/62/55/65/1080625565.db2.gz UILQVKYLZQCKIV-LBPRGKRZSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cnc(C)nc1C)C1CC1 ZINC001481944330 1080633732 /nfs/dbraw/zinc/63/37/32/1080633732.db2.gz JJDGXVODWMJQGM-INIZCTEOSA-N 0 3 322.840 2.334 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@H](NCc2ccn(CC)n2)C1 ZINC001662747298 1080646760 /nfs/dbraw/zinc/64/67/60/1080646760.db2.gz NUZUEBKYVZIDKN-GJZGRUSLSA-N 0 3 304.438 2.386 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)nn(CC)c2C)C1 ZINC001662868517 1080671217 /nfs/dbraw/zinc/67/12/17/1080671217.db2.gz XTVNZYNXCPRLGG-MRXNPFEDSA-N 0 3 316.449 2.080 20 30 DEEDHN Cc1nc(CNCCC2CCN(C(=O)[C@H](C)C#N)CC2)cs1 ZINC001481996348 1080677958 /nfs/dbraw/zinc/67/79/58/1080677958.db2.gz DUIMGBWAMCYNPC-GFCCVEGCSA-N 0 3 320.462 2.330 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H](OC)C2)cc1 ZINC001482032404 1080714455 /nfs/dbraw/zinc/71/44/55/1080714455.db2.gz ANBAKTGNNOZEFA-ROUUACIJSA-N 0 3 314.429 2.231 20 30 DEEDHN C=CCOCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107329549 1080731836 /nfs/dbraw/zinc/73/18/36/1080731836.db2.gz ZBGSWAHLFMSFND-YIWFVGIGSA-N 0 3 312.841 2.302 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001663400805 1080741436 /nfs/dbraw/zinc/74/14/36/1080741436.db2.gz XMPPAWPANVSECQ-OAHLLOKOSA-N 0 3 308.809 2.268 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@@H]1CNCc1ccns1 ZINC001482061855 1080767068 /nfs/dbraw/zinc/76/70/68/1080767068.db2.gz PMVFSFIAWNDDMM-CQSZACIVSA-N 0 3 305.447 2.417 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001663587256 1080782536 /nfs/dbraw/zinc/78/25/36/1080782536.db2.gz GXTJFWHIKMIPTE-LBPRGKRZSA-N 0 3 304.356 2.426 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2csc(C3CC3)n2)C1 ZINC001663624019 1080793032 /nfs/dbraw/zinc/79/30/32/1080793032.db2.gz CPGWWTHEUYXMER-CYBMUJFWSA-N 0 3 317.458 2.024 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001663740134 1080811058 /nfs/dbraw/zinc/81/10/58/1080811058.db2.gz XYMPXZKBHXTYHY-DLBZAZTESA-N 0 3 306.450 2.206 20 30 DEEDHN CC(C)[C@H](F)C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001664125007 1080861839 /nfs/dbraw/zinc/86/18/39/1080861839.db2.gz QHIKLBLAUFPZPI-HNNXBMFYSA-N 0 3 309.360 2.239 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCNCC(=O)NC(C)(C)CC)CC1 ZINC001664165518 1080869391 /nfs/dbraw/zinc/86/93/91/1080869391.db2.gz YXWTXINWPOAYRY-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C1(Cc2ccccc2F)CC1 ZINC001268600163 1080882079 /nfs/dbraw/zinc/88/20/79/1080882079.db2.gz LABIGRLGQHYKQI-WAYWQWQTSA-N 0 3 300.377 2.044 20 30 DEEDHN C#Cc1ccc(C(=O)NC/C=C/CNCc2ccc(F)cc2)cn1 ZINC001268616337 1080891671 /nfs/dbraw/zinc/89/16/71/1080891671.db2.gz HTWRWDJGDKYVDB-ONEGZZNKSA-N 0 3 323.371 2.278 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001268629587 1080904345 /nfs/dbraw/zinc/90/43/45/1080904345.db2.gz XLGRKBJGOPSLJW-TUYSUELWSA-N 0 3 300.402 2.084 20 30 DEEDHN COC[C@H](C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001268640303 1080910021 /nfs/dbraw/zinc/91/00/21/1080910021.db2.gz REUDGRSYSVMWER-UONOGXRCSA-N 0 3 322.836 2.068 20 30 DEEDHN Cc1ncsc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268678834 1080929447 /nfs/dbraw/zinc/92/94/47/1080929447.db2.gz QNXVIBZISCWZSW-ZDUSSCGKSA-N 0 3 313.426 2.211 20 30 DEEDHN Cc1ncoc1CN(C)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001664806929 1080962693 /nfs/dbraw/zinc/96/26/93/1080962693.db2.gz OBMIMFZGJXHAPE-OAHLLOKOSA-N 0 3 317.433 2.313 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001665274760 1081008690 /nfs/dbraw/zinc/00/86/90/1081008690.db2.gz IBRBCGXLHKXGLT-QGZVFWFLSA-N 0 3 322.474 2.056 20 30 DEEDHN C#CCCN1CC(CNC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001268842806 1081016118 /nfs/dbraw/zinc/01/61/18/1081016118.db2.gz AJMOWBJYWRJENP-PLNGDYQASA-N 0 3 300.377 2.300 20 30 DEEDHN C#C[C@@H](CO)NC[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001665359864 1081018332 /nfs/dbraw/zinc/01/83/32/1081018332.db2.gz UHBHRJGAUZYZSE-UONOGXRCSA-N 0 3 312.454 2.290 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2nc(CCC)no2)C1 ZINC001665592615 1081044119 /nfs/dbraw/zinc/04/41/19/1081044119.db2.gz DJIUDMWUSSQXMR-CQSZACIVSA-N 0 3 320.437 2.111 20 30 DEEDHN C=CC[C@H](C)C(=O)N1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001268968247 1081068781 /nfs/dbraw/zinc/06/87/81/1081068781.db2.gz MFDMNPAKWPSAKV-INIZCTEOSA-N 0 3 316.449 2.020 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001665714524 1081069384 /nfs/dbraw/zinc/06/93/84/1081069384.db2.gz CVPVEMASCKRBRX-FUHWJXTLSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CN(C)c1ccccc1 ZINC001268993530 1081078638 /nfs/dbraw/zinc/07/86/38/1081078638.db2.gz VAFAYLCZVHMEIG-ROUUACIJSA-N 0 3 313.445 2.374 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CC1)c1ccncc1 ZINC001269033593 1081091258 /nfs/dbraw/zinc/09/12/58/1081091258.db2.gz VPQRVGBILHHODF-LJQANCHMSA-N 0 3 319.408 2.231 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2cc(C)ncn2)CCCC1 ZINC001665910096 1081096128 /nfs/dbraw/zinc/09/61/28/1081096128.db2.gz SFWQJPDTIFIGKP-UHFFFAOYSA-N 0 3 302.422 2.270 20 30 DEEDHN C=C(C)CC[NH2+]C[C@H](NC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001269076354 1081108010 /nfs/dbraw/zinc/10/80/10/1081108010.db2.gz UGXFIEFHWKAJKG-HNNXBMFYSA-N 0 3 313.405 2.022 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@](C)(CNCC(=C)Cl)C2CC2)c1 ZINC001666022077 1081111619 /nfs/dbraw/zinc/11/16/19/1081111619.db2.gz ROIJHTQPSXGVIN-KRWDZBQOSA-N 0 3 317.820 2.304 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1ccnn1C)C1CC1 ZINC001269117286 1081123461 /nfs/dbraw/zinc/12/34/61/1081123461.db2.gz YXZHVTPTINYNCS-DOTOQJQBSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)CN(C)C(C)C)C1 ZINC001284409377 1081133596 /nfs/dbraw/zinc/13/35/96/1081133596.db2.gz GQADPJNSZCTIAK-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)CN(C)C(C)C)C1 ZINC001284409374 1081133769 /nfs/dbraw/zinc/13/37/69/1081133769.db2.gz GQADPJNSZCTIAK-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)CNCc2cnc(C)o2)cc1 ZINC001666595200 1081165646 /nfs/dbraw/zinc/16/56/46/1081165646.db2.gz SBYXEMKLMKSORB-ZDUSSCGKSA-N 0 3 311.385 2.120 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001269240111 1081180056 /nfs/dbraw/zinc/18/00/56/1081180056.db2.gz HGEHRINMTMFNBK-OAHLLOKOSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC1CCCCC1 ZINC001666864992 1081187400 /nfs/dbraw/zinc/18/74/00/1081187400.db2.gz NGPGYNRDANCQQZ-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001666971443 1081198035 /nfs/dbraw/zinc/19/80/35/1081198035.db2.gz AZODJZWHAXCKBP-KBPBESRZSA-N 0 3 319.453 2.058 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001269327080 1081213536 /nfs/dbraw/zinc/21/35/36/1081213536.db2.gz RVZDYWKLXXUCCU-CQSZACIVSA-N 0 3 304.438 2.314 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2cnccc2C)C1 ZINC001269329943 1081215638 /nfs/dbraw/zinc/21/56/38/1081215638.db2.gz DANBDJIVBFNOSG-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CCOc1ccccc1F ZINC001269338895 1081220114 /nfs/dbraw/zinc/22/01/14/1081220114.db2.gz VXUSXRNSBNGTTE-AWEZNQCLSA-N 0 3 306.381 2.361 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001667296567 1081234372 /nfs/dbraw/zinc/23/43/72/1081234372.db2.gz PAGANYKJCDLMMH-ZDUSSCGKSA-N 0 3 308.813 2.204 20 30 DEEDHN CC[C@H](CNC(=O)C1(C)CC1)NCC#Cc1ccc(F)cc1 ZINC001269408770 1081239998 /nfs/dbraw/zinc/23/99/98/1081239998.db2.gz ULCFNYKKYJKNFX-MRXNPFEDSA-N 0 3 302.393 2.462 20 30 DEEDHN CC#CCNC1(CNC(=O)c2scnc2C(F)(F)F)CC1 ZINC001269427850 1081246398 /nfs/dbraw/zinc/24/63/98/1081246398.db2.gz AYEPWTXWLKQTKT-UHFFFAOYSA-N 0 3 317.336 2.037 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2nc(CC)c[nH]2)CCCC1 ZINC001482221613 1081258722 /nfs/dbraw/zinc/25/87/22/1081258722.db2.gz NZJFSFWGVMKFSB-UHFFFAOYSA-N 0 3 324.856 2.286 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001667546209 1081261999 /nfs/dbraw/zinc/26/19/99/1081261999.db2.gz UXQPVASFPBXGDR-QGZVFWFLSA-N 0 3 320.408 2.406 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001667557579 1081263952 /nfs/dbraw/zinc/26/39/52/1081263952.db2.gz YCTDJCSCLPLSCS-SFHVURJKSA-N 0 3 304.434 2.212 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2cncn2C)C1 ZINC001667695069 1081275836 /nfs/dbraw/zinc/27/58/36/1081275836.db2.gz ULDNOKCPEAWZRA-RDJZCZTQSA-N 0 3 316.449 2.199 20 30 DEEDHN C#CCNC1(CNC(=O)C2CC(c3ccc(F)cc3)C2)CC1 ZINC001269548812 1081286902 /nfs/dbraw/zinc/28/69/02/1081286902.db2.gz UZAVDJRVSUDFCW-UHFFFAOYSA-N 0 3 300.377 2.191 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCCOC)C1 ZINC001269556809 1081289485 /nfs/dbraw/zinc/28/94/85/1081289485.db2.gz OGHJDKPNQFKTJQ-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](O)CNC/C=C\Cl)CCCCC1 ZINC001667939663 1081295451 /nfs/dbraw/zinc/29/54/51/1081295451.db2.gz ORQMTQKTJZWSPY-APFBBLRHSA-N 0 3 314.857 2.332 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccncc1C(F)(F)F ZINC001668605104 1081373006 /nfs/dbraw/zinc/37/30/06/1081373006.db2.gz OQYUAAHPAQWEDC-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CC)CC2 ZINC001482244969 1081376536 /nfs/dbraw/zinc/37/65/36/1081376536.db2.gz NAQXQWFVJJJMNV-HZPDHXFCSA-N 0 3 306.450 2.160 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001270011548 1081427448 /nfs/dbraw/zinc/42/74/48/1081427448.db2.gz ZVBBQYSMPPZOCQ-HDJSIYSDSA-N 0 3 304.438 2.149 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001669213472 1081438568 /nfs/dbraw/zinc/43/85/68/1081438568.db2.gz HVEVAIIIGDMEJR-IYKSTZQJSA-N 0 3 302.393 2.290 20 30 DEEDHN CC(C)SCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001669245661 1081440512 /nfs/dbraw/zinc/44/05/12/1081440512.db2.gz FDLHKFQYSCJUSQ-CQSZACIVSA-N 0 3 322.449 2.413 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H]2OC)cc1 ZINC001270065233 1081441568 /nfs/dbraw/zinc/44/15/68/1081441568.db2.gz IIFDDFYHJGTQQX-ROUUACIJSA-N 0 3 314.429 2.231 20 30 DEEDHN N#CCSCC(=O)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001270172008 1081464989 /nfs/dbraw/zinc/46/49/89/1081464989.db2.gz SQCQGWYHTNKNRH-SNVBAGLBSA-N 0 3 322.261 2.143 20 30 DEEDHN O=C(c1ccncc1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270163544 1081464576 /nfs/dbraw/zinc/46/45/76/1081464576.db2.gz GKVGKWBREVJYGD-LJQANCHMSA-N 0 3 319.408 2.328 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1c(C)nnn1CC ZINC001270215663 1081476354 /nfs/dbraw/zinc/47/63/54/1081476354.db2.gz QPVNINXFEBNOBY-OAHLLOKOSA-N 0 3 319.453 2.043 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001669911531 1081478970 /nfs/dbraw/zinc/47/89/70/1081478970.db2.gz WMIQVGGTHSBPMT-CYBMUJFWSA-N 0 3 306.454 2.246 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C2CC2)n1 ZINC001270258668 1081488555 /nfs/dbraw/zinc/48/85/55/1081488555.db2.gz BRKMLRVXRKSTJR-CQSZACIVSA-N 0 3 317.437 2.119 20 30 DEEDHN Cc1cc[nH]c1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001670080351 1081495037 /nfs/dbraw/zinc/49/50/37/1081495037.db2.gz PHHSZBYUAPXEMI-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN C#CCN(C(=O)c1ccc(C#C)cc1)C1CCN(CC=C)CC1 ZINC001270331701 1081503505 /nfs/dbraw/zinc/50/35/05/1081503505.db2.gz MQHGYFXHXAFAAB-UHFFFAOYSA-N 0 3 306.409 2.394 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2nccs2)C[C@H]1C ZINC001671256687 1081504626 /nfs/dbraw/zinc/50/46/26/1081504626.db2.gz JCWFNIZMRILMRL-ZIAGYGMSSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001671436597 1081516517 /nfs/dbraw/zinc/51/65/17/1081516517.db2.gz AJIPBILSKDYDPO-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCCOCC1)C1CCN(CC(=C)C)CC1 ZINC001671473395 1081518576 /nfs/dbraw/zinc/51/85/76/1081518576.db2.gz AJLOAXJDAZWLMA-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001671523866 1081520806 /nfs/dbraw/zinc/52/08/06/1081520806.db2.gz CZSVTEHPEMAVDB-LPHOPBHVSA-N 0 3 323.440 2.462 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CO[C@@H](C)CC)C2 ZINC001671593490 1081525177 /nfs/dbraw/zinc/52/51/77/1081525177.db2.gz KJTFAMSGSRKVJA-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)COC)C2 ZINC001671599627 1081525193 /nfs/dbraw/zinc/52/51/93/1081525193.db2.gz ZIFGQNXZFPNSDM-MJGOQNOKSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)COC)C2 ZINC001671599628 1081525552 /nfs/dbraw/zinc/52/55/52/1081525552.db2.gz ZIFGQNXZFPNSDM-PKOBYXMFSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN1CC[C@@H](N2CCN(C(=O)C(CCC)CCC)CC2)C1 ZINC001270518508 1081542097 /nfs/dbraw/zinc/54/20/97/1081542097.db2.gz ATRDKAMKCYSPRG-GOSISDBHSA-N 0 3 319.493 2.055 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001671853734 1081543323 /nfs/dbraw/zinc/54/33/23/1081543323.db2.gz DKKUQDCWMFINDN-HUUCEWRRSA-N 0 3 300.402 2.235 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001671912483 1081548258 /nfs/dbraw/zinc/54/82/58/1081548258.db2.gz NZOQQBFCOFSBPD-IBGZPJMESA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001671908426 1081549123 /nfs/dbraw/zinc/54/91/23/1081549123.db2.gz RZFKRGRFCPBKBJ-KRWDZBQOSA-N 0 3 302.422 2.305 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001671908429 1081549343 /nfs/dbraw/zinc/54/93/43/1081549343.db2.gz RZFKRGRFCPBKBJ-QGZVFWFLSA-N 0 3 302.422 2.305 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)NCc2ccn(C)n2)C1 ZINC001672208889 1081566772 /nfs/dbraw/zinc/56/67/72/1081566772.db2.gz JHZXABYLULHYQS-HUUCEWRRSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)NCc2ccn(C)n2)C1 ZINC001672208890 1081566825 /nfs/dbraw/zinc/56/68/25/1081566825.db2.gz JHZXABYLULHYQS-LSDHHAIUSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001270650963 1081582735 /nfs/dbraw/zinc/58/27/35/1081582735.db2.gz ZMDWIWWMIFQLGD-SFHVURJKSA-N 0 3 318.465 2.219 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CN(CC)c2ccccc2)C1 ZINC001270655608 1081586356 /nfs/dbraw/zinc/58/63/56/1081586356.db2.gz DUQVQDJDDJFPKT-GOSISDBHSA-N 0 3 301.434 2.280 20 30 DEEDHN Cc1ncoc1CNC[C@]1(C)CCN(C(=O)C#CC(C)(C)C)C1 ZINC001270718460 1081614424 /nfs/dbraw/zinc/61/44/24/1081614424.db2.gz OKVAEARBAMEQJP-SFHVURJKSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CCNCc3ccn(C)n3)C2)C1 ZINC001672857868 1081712926 /nfs/dbraw/zinc/71/29/26/1081712926.db2.gz FTHSGENMQNFNFW-OAHLLOKOSA-N 0 3 316.449 2.105 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2cncs2)cc1 ZINC001672938199 1081724668 /nfs/dbraw/zinc/72/46/68/1081724668.db2.gz QGULCVHCZZQWJE-ZDUSSCGKSA-N 0 3 313.426 2.286 20 30 DEEDHN CCC(C)(C)CC(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001673008285 1081730823 /nfs/dbraw/zinc/73/08/23/1081730823.db2.gz DDUTXNSEMJOOCB-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCNC1(CNC(=O)CCn2ccc3ccccc32)CCC1 ZINC001673234376 1081747890 /nfs/dbraw/zinc/74/78/90/1081747890.db2.gz ODMQBZRQUBRSEE-UHFFFAOYSA-N 0 3 309.413 2.293 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNCc2cncs2)C1 ZINC001673304818 1081754162 /nfs/dbraw/zinc/75/41/62/1081754162.db2.gz HBHIOFIIZYKVGL-KGLIPLIRSA-N 0 3 323.462 2.062 20 30 DEEDHN CCC(C)(CC)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001673407657 1081768689 /nfs/dbraw/zinc/76/86/89/1081768689.db2.gz VFKPILUNQDUZCN-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCC(=O)NCC1(C)CCN(Cc2ccccn2)CC1 ZINC001270866989 1081771016 /nfs/dbraw/zinc/77/10/16/1081771016.db2.gz LPLZJJQKVLBEDD-UHFFFAOYSA-N 0 3 317.433 2.003 20 30 DEEDHN Cc1cc(CNC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N)sn1 ZINC001482377831 1081774907 /nfs/dbraw/zinc/77/49/07/1081774907.db2.gz ACCJGGCVJPVNPX-DGCLKSJQSA-N 0 3 308.451 2.232 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)[C@H](C)C1CCC1 ZINC001482387312 1081785005 /nfs/dbraw/zinc/78/50/05/1081785005.db2.gz MHCHEOFXDJWUDX-WBVHZDCISA-N 0 3 308.466 2.193 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001673709366 1081793417 /nfs/dbraw/zinc/79/34/17/1081793417.db2.gz MNZGIVCYHRSJMY-LJQANCHMSA-N 0 3 322.493 2.271 20 30 DEEDHN N#CCSCC(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001673760566 1081797721 /nfs/dbraw/zinc/79/77/21/1081797721.db2.gz LBAWYOVDMKRKCL-UHFFFAOYSA-N 0 3 315.442 2.285 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CN(C(C)=O)c1ccccc1 ZINC001626755071 1081828572 /nfs/dbraw/zinc/82/85/72/1081828572.db2.gz RDMJHYDMBOZVLC-UHFFFAOYSA-N 0 3 317.433 2.006 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001270932275 1081843093 /nfs/dbraw/zinc/84/30/93/1081843093.db2.gz KSXDLIRQJKTUEW-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC001674470347 1081877070 /nfs/dbraw/zinc/87/70/70/1081877070.db2.gz VWPHMHMJYALNNJ-RDJZCZTQSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H]2CCCOC2)cc1 ZINC001280357144 1081879468 /nfs/dbraw/zinc/87/94/68/1081879468.db2.gz SUCDIPAMZOUCLI-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001480856405 1081911681 /nfs/dbraw/zinc/91/16/81/1081911681.db2.gz BVXADFHSLRVZOA-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)COc1ccc(OC)c(C)c1 ZINC001266282874 1081938927 /nfs/dbraw/zinc/93/89/27/1081938927.db2.gz VKOOIDLJLZKUTH-UHFFFAOYSA-N 0 3 306.406 2.007 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC001649249268 1081951856 /nfs/dbraw/zinc/95/18/56/1081951856.db2.gz OWZDPANPUICYOS-RCDICMHDSA-N 0 3 315.398 2.059 20 30 DEEDHN Cc1cccc(C)c1CN1CC[C@H](NC(=O)CSCC#N)C1 ZINC001266302264 1081958114 /nfs/dbraw/zinc/95/81/14/1081958114.db2.gz MPGWMXLHOLTTEU-HNNXBMFYSA-N 0 3 317.458 2.251 20 30 DEEDHN Cc1cc(CNC[C@H](CC(C)C)NC(=O)C#CC2CC2)sn1 ZINC001271261301 1082000769 /nfs/dbraw/zinc/00/07/69/1082000769.db2.gz IMNLBIBGVPMJDX-HNNXBMFYSA-N 0 3 319.474 2.485 20 30 DEEDHN CCN(CCNC(=O)CSCC#N)Cc1ccc(C)cc1 ZINC001266378315 1082009071 /nfs/dbraw/zinc/00/90/71/1082009071.db2.gz XPMJLWHXOHXICG-UHFFFAOYSA-N 0 3 305.447 2.190 20 30 DEEDHN C=CCOCCN1CCC(N(CCC)C(=O)[C@@H]2CCCO2)CC1 ZINC001266384836 1082011899 /nfs/dbraw/zinc/01/18/99/1082011899.db2.gz WRFCQNPVWNAPBB-KRWDZBQOSA-N 0 3 324.465 2.071 20 30 DEEDHN CCCN(C(=O)C#CC(C)C)C1CCN(CCOCC)CC1 ZINC001266386904 1082013563 /nfs/dbraw/zinc/01/35/63/1082013563.db2.gz WUVBUJABZCKVRD-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001266388972 1082014269 /nfs/dbraw/zinc/01/42/69/1082014269.db2.gz XZWJKZXBCMRXTP-WKULXVSPSA-N 0 3 318.461 2.299 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1CCOC1 ZINC001271494065 1082063208 /nfs/dbraw/zinc/06/32/08/1082063208.db2.gz GZMLKXTTWDLHLB-KBPBESRZSA-N 0 3 300.830 2.136 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H](C)CC(F)(F)F ZINC001266474826 1082062120 /nfs/dbraw/zinc/06/21/20/1082062120.db2.gz XBKMCVFBNICMMR-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(CC)c[nH]1 ZINC001266489492 1082071256 /nfs/dbraw/zinc/07/12/56/1082071256.db2.gz HFQHBLKWYFLBCS-IYBDPMFKSA-N 0 3 316.449 2.156 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(OCC)cc1 ZINC001266492590 1082071975 /nfs/dbraw/zinc/07/19/75/1082071975.db2.gz RYSWTGGVFYCSLU-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN(CCNC(=O)c1cccc2c1OCCCO2)C1CC1 ZINC001493427068 1082081197 /nfs/dbraw/zinc/08/11/97/1082081197.db2.gz CATZYQBKAMRIGK-UHFFFAOYSA-N 0 3 316.401 2.228 20 30 DEEDHN C=CCCC(=O)N1CCC(CCN(C)Cc2cnn(C)c2)CC1 ZINC001482502865 1082129525 /nfs/dbraw/zinc/12/95/25/1082129525.db2.gz VJBJONXQXDOHMY-UHFFFAOYSA-N 0 3 318.465 2.447 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001670459015 1082138689 /nfs/dbraw/zinc/13/86/89/1082138689.db2.gz FIZDUTNYXBZHRX-LJQANCHMSA-N 0 3 321.424 2.473 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001266575637 1082169208 /nfs/dbraw/zinc/16/92/08/1082169208.db2.gz XNLMJDIALWQBFW-QGZVFWFLSA-N 0 3 301.434 2.283 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc2nonc2c1)C(C)C ZINC001482550075 1082202347 /nfs/dbraw/zinc/20/23/47/1082202347.db2.gz BUAZMTKQOVQEJT-AWEZNQCLSA-N 0 3 322.796 2.319 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001266614418 1082214255 /nfs/dbraw/zinc/21/42/55/1082214255.db2.gz DJTVZHNSLXFYTQ-RBSFLKMASA-N 0 3 302.422 2.124 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001670692509 1082218440 /nfs/dbraw/zinc/21/84/40/1082218440.db2.gz UCNZPUVVRJWIJG-UONOGXRCSA-N 0 3 319.453 2.192 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)C2(F)CCCCC2)C1 ZINC001271987499 1082220404 /nfs/dbraw/zinc/22/04/04/1082220404.db2.gz IPRFQOZSARZEDD-MRXNPFEDSA-N 0 3 312.429 2.178 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266669792 1082265676 /nfs/dbraw/zinc/26/56/76/1082265676.db2.gz JROQAMMONDXWKO-WQVCFCJDSA-N 0 3 320.433 2.166 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC001266751805 1082321551 /nfs/dbraw/zinc/32/15/51/1082321551.db2.gz KLDLFFFDJQTELB-GJZGRUSLSA-N 0 3 318.392 2.054 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001266855794 1082399492 /nfs/dbraw/zinc/39/94/92/1082399492.db2.gz FYKNINLTPFDKGD-WBVHZDCISA-N 0 3 318.465 2.146 20 30 DEEDHN O=C(c1cnco1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001266874902 1082423075 /nfs/dbraw/zinc/42/30/75/1082423075.db2.gz SZZZVLKBGBFXLO-QGZVFWFLSA-N 0 3 323.396 2.311 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCc2nc(C)cs2)C1 ZINC001266893363 1082436049 /nfs/dbraw/zinc/43/60/49/1082436049.db2.gz ZZHJXXRQQBYAPD-HUUCEWRRSA-N 0 3 319.474 2.234 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCOCC(C)C ZINC001279543048 1082474427 /nfs/dbraw/zinc/47/44/27/1082474427.db2.gz UAJFKSBPNMJBOA-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN CC[C@@H](OC)C(=O)N[C@H](C)CCNCc1cc(C#N)ccc1F ZINC001482814274 1082511306 /nfs/dbraw/zinc/51/13/06/1082511306.db2.gz GOPIPWCMOMCCBY-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H]1C[C@@H]1C ZINC001482907949 1082550991 /nfs/dbraw/zinc/55/09/91/1082550991.db2.gz DQYYBLPPIRKDSV-WFASDCNBSA-N 0 3 303.381 2.291 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H](CC)c1c(C)noc1C ZINC001482956433 1082577365 /nfs/dbraw/zinc/57/73/65/1082577365.db2.gz MPXJKFOVDVCKNX-HNNXBMFYSA-N 0 3 305.422 2.246 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001272126509 1082595605 /nfs/dbraw/zinc/59/56/05/1082595605.db2.gz ZNOXCXFQJWTWNJ-LBPRGKRZSA-N 0 3 309.435 2.184 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C2CC=CC2)cc1F ZINC001482993239 1082611801 /nfs/dbraw/zinc/61/18/01/1082611801.db2.gz JJXJWPQIZUMFOJ-ARJAWSKDSA-N 0 3 313.376 2.426 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001483001870 1082617607 /nfs/dbraw/zinc/61/76/07/1082617607.db2.gz HEWLORLZVRWTFF-XFHJGTJQSA-N 0 3 320.408 2.223 20 30 DEEDHN N#Cc1cc(CNC/C=C/CNC(=O)[C@H]2CC2(F)F)ccc1F ZINC001483005838 1082620251 /nfs/dbraw/zinc/62/02/51/1082620251.db2.gz HEOWQFFKJDGWBN-ZIYVKSGCSA-N 0 3 323.318 2.115 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)c1cccc2n[n-]nc21 ZINC001483012587 1082624592 /nfs/dbraw/zinc/62/45/92/1082624592.db2.gz OZJAGQHGYINQQJ-GFUIURDCSA-N 0 3 313.405 2.188 20 30 DEEDHN C#CCNCCN(CCO)C(=O)c1ccc(C(C)(C)CC)cc1 ZINC001272189778 1082626949 /nfs/dbraw/zinc/62/69/49/1082626949.db2.gz LPSBCWZDIHZHJE-UHFFFAOYSA-N 0 3 316.445 2.032 20 30 DEEDHN CCCc1ccccc1C(=O)NC/C=C/CNCC#CCOC ZINC001483034468 1082636053 /nfs/dbraw/zinc/63/60/53/1082636053.db2.gz HGGSWFDLCCIJNN-VOTSOKGWSA-N 0 3 314.429 2.165 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)[C@H]2CC23CC3)cc1F ZINC001483065675 1082685615 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ZINC001483231858 1082847050 /nfs/dbraw/zinc/84/70/50/1082847050.db2.gz DXDQSVIDXDMJPA-LBPRGKRZSA-N 0 3 318.421 2.010 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC001483331471 1083109413 /nfs/dbraw/zinc/10/94/13/1083109413.db2.gz PZIXDGIXBKGHAP-GUYCJALGSA-N 0 3 308.397 2.089 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001483331470 1083109479 /nfs/dbraw/zinc/10/94/79/1083109479.db2.gz PZIXDGIXBKGHAP-DYVFJYSZSA-N 0 3 308.397 2.089 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CCNCC(=C)Br ZINC001272748135 1083476824 /nfs/dbraw/zinc/47/68/24/1083476824.db2.gz SDIIFMOPKPFCTR-LBPRGKRZSA-N 0 3 301.228 2.183 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107554085 1083477460 /nfs/dbraw/zinc/47/74/60/1083477460.db2.gz YGUNITQVOBQKSC-YWTNHNAXSA-N 0 3 318.461 2.043 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H](CNCc1ccns1)C1CC1 ZINC001276589001 1083503726 /nfs/dbraw/zinc/50/37/26/1083503726.db2.gz MDMYLCOWSITEGT-AWEZNQCLSA-N 0 3 305.447 2.177 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)C=C4CCC4)[C@@H]3C2)c1 ZINC001276659653 1083536454 /nfs/dbraw/zinc/53/64/54/1083536454.db2.gz HHBPACXOYXBDTL-LDLYASANSA-N 0 3 321.424 2.463 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@@H](CC)C1 ZINC001276732796 1083577032 /nfs/dbraw/zinc/57/70/32/1083577032.db2.gz YVQRJFYBRYEIDL-GOEBONIOSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CCN1CC1CCC(C)(C)CC1 ZINC001276853211 1083647047 /nfs/dbraw/zinc/64/70/47/1083647047.db2.gz MNSWWMMAHYKDPK-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCCN(CCOCC(C)C)C2 ZINC001276862483 1083651887 /nfs/dbraw/zinc/65/18/87/1083651887.db2.gz MOKCENQZBUYCKI-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCCCN1CC[C@H]2C[C@]21C(=O)N1Cc2cncnc2C1 ZINC001276885379 1083664428 /nfs/dbraw/zinc/66/44/28/1083664428.db2.gz JPBVJNSXQBGDDF-MAUKXSAKSA-N 0 3 312.417 2.140 20 30 DEEDHN N#Cc1ccccc1N1CC[C@H]2CN(Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001276954122 1083700486 /nfs/dbraw/zinc/70/04/86/1083700486.db2.gz VAYZSHCGKQFNDV-MAUKXSAKSA-N 0 3 320.396 2.370 20 30 DEEDHN CCc1nocc1CNC[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001276977293 1083713706 /nfs/dbraw/zinc/71/37/06/1083713706.db2.gz PVUOXLVMVXEUBY-CTYIDZIISA-N 0 3 317.433 2.271 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NC[C@@H](O)c2ccccc2)CC1 ZINC001277072441 1083762280 /nfs/dbraw/zinc/76/22/80/1083762280.db2.gz WAXJXZJDIIKFJG-MRXNPFEDSA-N 0 3 302.418 2.315 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856740 1083766281 /nfs/dbraw/zinc/76/62/81/1083766281.db2.gz CWCZARILAPDDLI-KSSFIOAISA-N 0 3 319.449 2.499 20 30 DEEDHN CCc1onc(C)c1CNCCC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001277148789 1083808583 /nfs/dbraw/zinc/80/85/83/1083808583.db2.gz VMZHQQQOBRCDCX-VXGBXAGGSA-N 0 3 306.410 2.080 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001272785145 1084052094 /nfs/dbraw/zinc/05/20/94/1084052094.db2.gz ZBCCBEQMJPIQKF-VXGBXAGGSA-N 0 3 310.829 2.067 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3scnc3C)CC2)C1=O ZINC001272787606 1084056392 /nfs/dbraw/zinc/05/63/92/1084056392.db2.gz IHEWGYBBDWOTLY-UHFFFAOYSA-N 0 3 305.447 2.452 20 30 DEEDHN Cc1cc(CNC[C@H](C2CC2)N(C)C(=O)C#CC(C)C)sn1 ZINC001277646163 1084074373 /nfs/dbraw/zinc/07/43/73/1084074373.db2.gz BUKCRVSPCILNJW-MRXNPFEDSA-N 0 3 319.474 2.438 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2ccc3cccnc3c2)C1 ZINC001491110474 1084076328 /nfs/dbraw/zinc/07/63/28/1084076328.db2.gz HLZZMEQPIGPEJI-KRWDZBQOSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3ccc(F)cn3)CC2)C1=O ZINC001272801821 1084079100 /nfs/dbraw/zinc/07/91/00/1084079100.db2.gz ISJVHXCRQYPTHY-GOSISDBHSA-N 0 3 315.392 2.059 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001277655001 1084082051 /nfs/dbraw/zinc/08/20/51/1084082051.db2.gz HHMVTMCRFDKZDE-INIZCTEOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001491123273 1084099131 /nfs/dbraw/zinc/09/91/31/1084099131.db2.gz SHGKEMRREVOYOZ-TZMCWYRMSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001491134656 1084105154 /nfs/dbraw/zinc/10/51/54/1084105154.db2.gz XNJJZNTUORCBHB-QGZVFWFLSA-N 0 3 317.433 2.003 20 30 DEEDHN Cc1nc(C)c(CNC[C@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001491151416 1084111589 /nfs/dbraw/zinc/11/15/89/1084111589.db2.gz IGVIVJINWFFYEA-MRXNPFEDSA-N 0 3 317.433 2.279 20 30 DEEDHN Cc1ccc(CN[C@@H](C)CN(C)C(=O)C#CC(C)C)c(C)n1 ZINC001277808993 1084157502 /nfs/dbraw/zinc/15/75/02/1084157502.db2.gz CBLYPWCDWSVDNV-HNNXBMFYSA-N 0 3 301.434 2.294 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)Cc2ccc(C)s2)C1 ZINC001671694660 1084188739 /nfs/dbraw/zinc/18/87/39/1084188739.db2.gz VIFRCOJUINTCTA-QGZVFWFLSA-N 0 3 322.474 2.382 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)COC2CCCC2)C1 ZINC001491284763 1084201998 /nfs/dbraw/zinc/20/19/98/1084201998.db2.gz UTLOZMUKMOLFJE-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)co2)C1 ZINC001491292718 1084217415 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C#CCC1(C(=O)NC[C@@]2(C)CN(C[C@H](C)CC)CCO2)CCC1 ZINC001107990952 1084276381 /nfs/dbraw/zinc/27/63/81/1084276381.db2.gz RZGYMNVLSQDRLK-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN Cc1nc(CNC[C@@H](C)CNC(=O)C#CC(C)C)c(C)s1 ZINC001495660253 1084300810 /nfs/dbraw/zinc/30/08/10/1084300810.db2.gz OPVDUUOHPGQLFG-GFCCVEGCSA-N 0 3 307.463 2.261 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001491455802 1084325069 /nfs/dbraw/zinc/32/50/69/1084325069.db2.gz UFYQBOANVVINSU-ZIAGYGMSSA-N 0 3 322.836 2.281 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCC2CC2)CCOCC1 ZINC001235156747 1084329674 /nfs/dbraw/zinc/32/96/74/1084329674.db2.gz DWWVYAONCSDLAQ-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2C[C@H](CC)OC)CCC1 ZINC001235209501 1084345287 /nfs/dbraw/zinc/34/52/87/1084345287.db2.gz MCANYYONKFKYLS-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CCC2)CC2(CCOCC2)C1 ZINC001089951185 1084365088 /nfs/dbraw/zinc/36/50/88/1084365088.db2.gz 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/nfs/dbraw/zinc/44/24/69/1084442469.db2.gz BEPNNMIXRNFTPE-UHFFFAOYSA-N 0 3 312.413 2.143 20 30 DEEDHN C#CCN1CCN([C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168661929 1084491203 /nfs/dbraw/zinc/49/12/03/1084491203.db2.gz BYFAGWSNZUZBPI-PKOBYXMFSA-N 0 3 314.429 2.166 20 30 DEEDHN CN1CCC2(CCN(Cc3c(F)cc(C#N)cc3F)CC2)C1=O ZINC001235664946 1084491945 /nfs/dbraw/zinc/49/19/45/1084491945.db2.gz RLBJIKQVEUATNG-UHFFFAOYSA-N 0 3 319.355 2.281 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001277969974 1084521252 /nfs/dbraw/zinc/52/12/52/1084521252.db2.gz YOAQYTKOFGHLJL-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN C=CCCCC(=O)N1CCC2(C1)CCN(CC#CCOC)CC2 ZINC001671054916 1084538112 /nfs/dbraw/zinc/53/81/12/1084538112.db2.gz HDCRSIYJCHIZBW-UHFFFAOYSA-N 0 3 318.461 2.307 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cncnc2C)C12CCC2 ZINC001078557891 1084740150 /nfs/dbraw/zinc/74/01/50/1084740150.db2.gz CWRQLPTURHRMGF-ZIAGYGMSSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C12CCC2 ZINC001078580371 1084755280 /nfs/dbraw/zinc/75/52/80/1084755280.db2.gz GHNMMFRIPIEXCW-CHWSQXEVSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C12CCC2 ZINC001078596764 1084762634 /nfs/dbraw/zinc/76/26/34/1084762634.db2.gz MKPKSHYREVJKIY-KBPBESRZSA-N 0 3 318.808 2.269 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)ncn2)C12CCC2 ZINC001078602084 1084764374 /nfs/dbraw/zinc/76/43/74/1084764374.db2.gz QIXWKASGOAWQQX-KBPBESRZSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2coc(C)n2)C12CCC2 ZINC001078604393 1084765615 /nfs/dbraw/zinc/76/56/15/1084765615.db2.gz MRAMNQABJIAUCB-STQMWFEESA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc(C)n2C)C12CCC2 ZINC001078707678 1084819881 /nfs/dbraw/zinc/81/98/81/1084819881.db2.gz CHUMSPLYFKTJBU-KBPBESRZSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2[nH]cnc2CC)C12CCC2 ZINC001078795021 1084898946 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C=CCC(C)(C)C(=O)NC[C@H](CO)N[C@H]1CCc2ccccc21 ZINC001486037163 1085037457 /nfs/dbraw/zinc/03/74/57/1085037457.db2.gz CIFADMRTINLMSC-WBVHZDCISA-N 0 3 316.445 2.343 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccc(F)cc2)C1 ZINC001486114648 1085071956 /nfs/dbraw/zinc/07/19/56/1085071956.db2.gz CYAAUHJQTNYAMR-PBHICJAKSA-N 0 3 302.393 2.361 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001486115849 1085072665 /nfs/dbraw/zinc/07/26/65/1085072665.db2.gz UBNYRAKNNXGPRL-ZFWWWQNUSA-N 0 3 316.449 2.162 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cc(C)ccc2OC)C1 ZINC001486122236 1085076241 /nfs/dbraw/zinc/07/62/41/1085076241.db2.gz XIPQOMWCLOMFNW-RDJZCZTQSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@H](NCc3nccn3C)[C@@H]2C1 ZINC001486156236 1085097307 /nfs/dbraw/zinc/09/73/07/1085097307.db2.gz LDJJXPVKSUUNNQ-XHSDSOJGSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCO)[C@H]2C)CCCCC1 ZINC001486185237 1085113571 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C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C[C@H]1O ZINC001099723340 1089366482 /nfs/dbraw/zinc/36/64/82/1089366482.db2.gz GUJRQFRIIAMRQS-IAGOWNOFSA-N 0 3 302.418 2.013 20 30 DEEDHN CCC#C[C@@H](C)N1CCN(CCCOCC(F)(F)F)CC1 ZINC001459356630 1089710400 /nfs/dbraw/zinc/71/04/00/1089710400.db2.gz KCXNFEANPSTADA-CQSZACIVSA-N 0 3 306.372 2.375 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)c2ccsc2)[C@H](OC)C1 ZINC001082125077 1089723013 /nfs/dbraw/zinc/72/30/13/1089723013.db2.gz IELUREOYNKAAFR-BPLDGKMQSA-N 0 3 308.447 2.243 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCc1ccc(Cl)nc1 ZINC000959918862 1089846812 /nfs/dbraw/zinc/84/68/12/1089846812.db2.gz MFNYMFCYYSATRP-OCCSQVGLSA-N 0 3 320.824 2.365 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC000959920018 1089847829 /nfs/dbraw/zinc/84/78/29/1089847829.db2.gz PZRANISNUIUYST-HIFRSBDPSA-N 0 3 303.381 2.456 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccccc2OCC)[C@H](OC)C1 ZINC001082352361 1089872690 /nfs/dbraw/zinc/87/26/90/1089872690.db2.gz RCFHKTQQJTZQAG-NVXWUHKLSA-N 0 3 318.417 2.090 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCCC[C@H]2CNCc2ccccn2)[nH]1 ZINC000959973277 1089888847 /nfs/dbraw/zinc/88/88/47/1089888847.db2.gz XPCGVUNPTCTSIQ-INIZCTEOSA-N 0 3 323.400 2.066 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2coc3ccccc32)[C@H](OC)C1 ZINC001082396178 1089913094 /nfs/dbraw/zinc/91/30/94/1089913094.db2.gz MCZBDEFWDZBWEQ-NVXWUHKLSA-N 0 3 314.385 2.438 20 30 DEEDHN CC(C)c1cccc(CN[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)n1 ZINC001082450424 1089947108 /nfs/dbraw/zinc/94/71/08/1089947108.db2.gz ORFOYRJALBOAEG-CKEIUWERSA-N 0 3 314.433 2.301 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082450535 1089947600 /nfs/dbraw/zinc/94/76/00/1089947600.db2.gz XGNIZBLVAVWGCQ-UEKVPHQBSA-N 0 3 307.344 2.061 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001084076488 1090194488 /nfs/dbraw/zinc/19/44/88/1090194488.db2.gz OGKSXPVEUAPCPU-XKQJLSEDSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccncc3Cl)C2)C1=O ZINC001273232203 1090444263 /nfs/dbraw/zinc/44/42/63/1090444263.db2.gz YAYHKLDDUQVUKP-MRXNPFEDSA-N 0 3 305.809 2.345 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099830728 1090448716 /nfs/dbraw/zinc/44/87/16/1090448716.db2.gz XDKZDEKCWXPLTA-DLBZAZTESA-N 0 3 318.461 2.088 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccc(F)c3)[C@@H]2C1 ZINC001084842219 1090472901 /nfs/dbraw/zinc/47/29/01/1090472901.db2.gz HBCDAZPXIQVRJY-QGPMSJSTSA-N 0 3 314.404 2.485 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)nsc3C)[C@@H]2C1 ZINC001084857673 1090479802 /nfs/dbraw/zinc/47/98/02/1090479802.db2.gz PRWPBJWWKUFWFJ-ZIAGYGMSSA-N 0 3 305.447 2.482 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099850262 1090531137 /nfs/dbraw/zinc/53/11/37/1090531137.db2.gz NFBRGPSELRUFGR-ROUUACIJSA-N 0 3 316.445 2.403 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273286071 1090709512 /nfs/dbraw/zinc/70/95/12/1090709512.db2.gz YDPIELKNJWIERU-SFHVURJKSA-N 0 3 316.376 2.122 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273286071 1090709515 /nfs/dbraw/zinc/70/95/15/1090709515.db2.gz YDPIELKNJWIERU-SFHVURJKSA-N 0 3 316.376 2.122 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1ocnc1C ZINC001273311728 1091007975 /nfs/dbraw/zinc/00/79/75/1091007975.db2.gz KAGMELMLLRYSLN-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)Cc1ccoc1 ZINC001273341467 1091068704 /nfs/dbraw/zinc/06/87/04/1091068704.db2.gz PZHWIRZWLZCMKO-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001273374315 1091109674 /nfs/dbraw/zinc/10/96/74/1091109674.db2.gz JDKXFGKKMSKQPC-DLBZAZTESA-N 0 3 307.482 2.217 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001273396357 1091162983 /nfs/dbraw/zinc/16/29/83/1091162983.db2.gz NGKVVWGDJCNCPV-QGZVFWFLSA-N 0 3 306.450 2.211 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274300897 1091179130 /nfs/dbraw/zinc/17/91/30/1091179130.db2.gz KOXGTJOEZPFQRV-HZPDHXFCSA-N 0 3 300.402 2.452 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274300897 1091179137 /nfs/dbraw/zinc/17/91/37/1091179137.db2.gz KOXGTJOEZPFQRV-HZPDHXFCSA-N 0 3 300.402 2.452 20 30 DEEDHN Cc1c(C(=O)NC/C=C/CNCc2cccc(C#N)c2)ccn1C ZINC001274339723 1091197157 /nfs/dbraw/zinc/19/71/57/1091197157.db2.gz PBQLYRZUISXFHO-ONEGZZNKSA-N 0 3 322.412 2.281 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC001274340059 1091197453 /nfs/dbraw/zinc/19/74/53/1091197453.db2.gz QVGZHJQYFKDPGX-UHFFFAOYSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1c(C)ncn1C)CC2 ZINC001274352689 1091201874 /nfs/dbraw/zinc/20/18/74/1091201874.db2.gz UUFLRDLOXGLCLP-UHFFFAOYSA-N 0 3 316.449 2.119 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccccc1CC#N ZINC001274347391 1091206169 /nfs/dbraw/zinc/20/61/69/1091206169.db2.gz QDTQOLDSPPAOLY-HXUWFJFHSA-N 0 3 321.424 2.343 20 30 DEEDHN CC(C)CN1CC[C@@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274579441 1091309455 /nfs/dbraw/zinc/30/94/55/1091309455.db2.gz NSGFKULKZWYAEG-GOSISDBHSA-N 0 3 312.417 2.034 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)C[C@H](C=C)CC)C2)CC1 ZINC001280693427 1091312314 /nfs/dbraw/zinc/31/23/14/1091312314.db2.gz UUQZRFSXHGSOPF-QZTJIDSGSA-N 0 3 319.493 2.383 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3cc(F)ccc3N)CC2)C1=O ZINC001274598649 1091317572 /nfs/dbraw/zinc/31/75/72/1091317572.db2.gz WHOKMQGANLQOAS-UHFFFAOYSA-N 0 3 317.408 2.408 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(OCC)ccn3)C2)C1=O ZINC001274634754 1091341887 /nfs/dbraw/zinc/34/18/87/1091341887.db2.gz DJSIVKNQAKVQSZ-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccccc2OC)C[C@@H]1C ZINC001274652343 1091350784 /nfs/dbraw/zinc/35/07/84/1091350784.db2.gz BSEGRTMFAGOSEG-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccnc(Cl)c3C)C2)C1=O ZINC001274718602 1091386037 /nfs/dbraw/zinc/38/60/37/1091386037.db2.gz CQMQHLCBUYOGFG-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN Cc1nn(C(C)C)cc1CNC[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001274747985 1091396542 /nfs/dbraw/zinc/39/65/42/1091396542.db2.gz ZCOSSZRTOSDGDC-CQSZACIVSA-N 0 3 318.465 2.416 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CNCc1cncc(C)c1 ZINC001274979613 1091499547 /nfs/dbraw/zinc/49/95/47/1091499547.db2.gz WLJGLOVTLLHMNV-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN COCC#CCN1CC[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001671069950 1091503361 /nfs/dbraw/zinc/50/33/61/1091503361.db2.gz HHCHKKXCXRILSM-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)N3CCn2ccnc2)c1 ZINC001276097623 1091544683 /nfs/dbraw/zinc/54/46/83/1091544683.db2.gz YHBVUHCOSJIDFQ-BGYRXZFFSA-N 0 3 320.440 2.213 20 30 DEEDHN Cn1cc(CN2CC3(CN(CCc4ccccc4)C3)C2)cc1C#N ZINC001275088793 1091546623 /nfs/dbraw/zinc/54/66/23/1091546623.db2.gz CMLYQXKFBUJLDF-UHFFFAOYSA-N 0 3 320.440 2.257 20 30 DEEDHN N#CCc1cccc(C(=O)N2CC3(C2)CN(C2CCCC2)C3)c1 ZINC001275109466 1091563552 /nfs/dbraw/zinc/56/35/52/1091563552.db2.gz FWPYWHHUMDQWOT-UHFFFAOYSA-N 0 3 309.413 2.453 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1ccc(OC)nn1 ZINC001276168436 1091628447 /nfs/dbraw/zinc/62/84/47/1091628447.db2.gz MRRIYNVVQWBVRA-UHFFFAOYSA-N 0 3 320.437 2.026 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC001276196323 1091679494 /nfs/dbraw/zinc/67/94/94/1091679494.db2.gz YAAXBPUULYEKRA-UHFFFAOYSA-N 0 3 306.797 2.367 20 30 DEEDHN C=CCC1(C(=O)N(C)CCCNCc2nccnc2C)CCC1 ZINC001276214349 1091709649 /nfs/dbraw/zinc/70/96/49/1091709649.db2.gz GIZQAPQHWDMKOC-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN CCCCOCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001490820111 1091756980 /nfs/dbraw/zinc/75/69/80/1091756980.db2.gz VHDCOYZIBFUHCY-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2c(F)cccc2F)CC1 ZINC000948717470 1091897674 /nfs/dbraw/zinc/89/76/74/1091897674.db2.gz UWPKZOFJRBHVBQ-AWEZNQCLSA-N 0 3 320.383 2.453 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000948725581 1091903561 /nfs/dbraw/zinc/90/35/61/1091903561.db2.gz BHMCFIYDLNOBCU-OAHLLOKOSA-N 0 3 320.383 2.453 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](OC)c1cccc(OC)c1 ZINC001275607199 1091904750 /nfs/dbraw/zinc/90/47/50/1091904750.db2.gz MYIOXGLJFKRSJC-CZUORRHYSA-N 0 3 306.406 2.005 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000948788637 1091936103 /nfs/dbraw/zinc/93/61/03/1091936103.db2.gz AFJWZJLCQJTECH-AWEZNQCLSA-N 0 3 302.422 2.093 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cncc(Cl)c2)CC1 ZINC000948852639 1091967017 /nfs/dbraw/zinc/96/70/17/1091967017.db2.gz RRZUFIBFQFQCGE-OAHLLOKOSA-N 0 3 305.809 2.295 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000948890232 1091983456 /nfs/dbraw/zinc/98/34/56/1091983456.db2.gz OVKXXYXALBDIHZ-SFHVURJKSA-N 0 3 324.428 2.325 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2C[C@@H](C)CC(F)(F)F)C1=O ZINC001273746374 1092025931 /nfs/dbraw/zinc/02/59/31/1092025931.db2.gz FXRMIPZCMFMJDX-JSGCOSHPSA-N 0 3 302.340 2.275 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)c1cccs1)CCO2 ZINC000949015465 1092030584 /nfs/dbraw/zinc/03/05/84/1092030584.db2.gz QHUPLTFKPGREGX-UHFFFAOYSA-N 0 3 318.442 2.078 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]1C(C)C)CCO2 ZINC000949221408 1092073121 /nfs/dbraw/zinc/07/31/21/1092073121.db2.gz ZKXDDVPVHCBCAO-HZPDHXFCSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3CCCC3)CC2)C1 ZINC000949270004 1092086495 /nfs/dbraw/zinc/08/64/95/1092086495.db2.gz BSAYMXWUMBXBAX-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001273824974 1092221053 /nfs/dbraw/zinc/22/10/53/1092221053.db2.gz MMAJLAXAGWLXRT-GOSISDBHSA-N 0 3 324.428 2.071 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001273824975 1092221671 /nfs/dbraw/zinc/22/16/71/1092221671.db2.gz MMAJLAXAGWLXRT-SFHVURJKSA-N 0 3 324.428 2.071 20 30 DEEDHN CCC[C@@H](C)C(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001273831517 1092268134 /nfs/dbraw/zinc/26/81/34/1092268134.db2.gz AVLPDQJODMAGIK-MJGOQNOKSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)C[C@@H](O)c1ccccc1 ZINC001275897907 1092283256 /nfs/dbraw/zinc/28/32/56/1092283256.db2.gz XHRDQWBHQLHDCB-GOEBONIOSA-N 0 3 304.434 2.369 20 30 DEEDHN CN1CCO[C@@]2(CCCN(Cc3c[nH]c4ccc(C#N)cc34)C2)C1 ZINC001275949482 1092365645 /nfs/dbraw/zinc/36/56/45/1092365645.db2.gz FYSSVPBMXZLLHY-IBGZPJMESA-N 0 3 324.428 2.336 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)N(C)CCOC(C)C ZINC001275986177 1092443187 /nfs/dbraw/zinc/44/31/87/1092443187.db2.gz JOWPNTJWHMVPOV-MRXNPFEDSA-N 0 3 316.445 2.072 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001275993367 1092461932 /nfs/dbraw/zinc/46/19/32/1092461932.db2.gz IRJVBQJBJZEDNA-AWEZNQCLSA-N 0 3 315.417 2.421 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)c2sccc2C(C)C)C1 ZINC001273937202 1092526008 /nfs/dbraw/zinc/52/60/08/1092526008.db2.gz TUDMXRKOLIEIIQ-KRWDZBQOSA-N 0 3 320.458 2.061 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001488640448 1092651739 /nfs/dbraw/zinc/65/17/39/1092651739.db2.gz HABHRGAXRKFBPV-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cncnc1CC ZINC001488689246 1092688441 /nfs/dbraw/zinc/68/84/41/1092688441.db2.gz KMRDAOFGDYQSLX-CQSZACIVSA-N 0 3 302.422 2.152 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001488926253 1092834161 /nfs/dbraw/zinc/83/41/61/1092834161.db2.gz BIPAEDMDBBFAGL-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCCOCC=C)C2)CC1 ZINC001488973666 1092858880 /nfs/dbraw/zinc/85/88/80/1092858880.db2.gz DFKHDTBLAVKUOJ-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCOCC(F)(F)F ZINC001489323892 1093018886 /nfs/dbraw/zinc/01/88/86/1093018886.db2.gz VZDYPKMOTDLEEH-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001490199966 1093222121 /nfs/dbraw/zinc/22/21/21/1093222121.db2.gz OTVDUSXMQXPOJL-UHFFFAOYSA-N 0 3 315.417 2.028 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCCN(C)CC#CC)cc1 ZINC001490194600 1093241591 /nfs/dbraw/zinc/24/15/91/1093241591.db2.gz ACSWMLHTMFAUKI-UHFFFAOYSA-N 0 3 312.413 2.164 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc(F)ccc1OC)C1CC1 ZINC001490381175 1093335171 /nfs/dbraw/zinc/33/51/71/1093335171.db2.gz MZSWDSFGJZIOHB-UHFFFAOYSA-N 0 3 318.392 2.442 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)c2coc(OC)n2)C1 ZINC001490553667 1093415673 /nfs/dbraw/zinc/41/56/73/1093415673.db2.gz YEKAVDHBJFMONY-ZDUSSCGKSA-N 0 3 307.394 2.234 20 30 DEEDHN N#CCCCN1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C#N)c1 ZINC001274039136 1093778390 /nfs/dbraw/zinc/77/83/90/1093778390.db2.gz SAPXHAFYKYDVHT-QZTJIDSGSA-N 0 3 322.412 2.427 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1scnc1C(F)(F)F ZINC001274097432 1093796707 /nfs/dbraw/zinc/79/67/07/1093796707.db2.gz VGXWZTIYVQTYSD-PLNGDYQASA-N 0 3 317.336 2.061 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cnn3ccccc13)CC2 ZINC001274101568 1093798966 /nfs/dbraw/zinc/79/89/66/1093798966.db2.gz FRHYLAYMSGYKEI-INIZCTEOSA-N 0 3 324.428 2.239 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cncnc3C)CC2)C1=O ZINC001274128830 1093810855 /nfs/dbraw/zinc/81/08/55/1093810855.db2.gz FLKHFSQKIIOQSY-GOSISDBHSA-N 0 3 314.433 2.176 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(CO)ccc2F)C1 ZINC001274179508 1093837393 /nfs/dbraw/zinc/83/73/93/1093837393.db2.gz JLRJXJCWVRLOOV-DYVFJYSZSA-N 0 3 320.408 2.221 20 30 DEEDHN C=CCN1CCC(NC(=O)CCCC(=O)OC(C)(C)C)CC1 ZINC001329539825 1148918358 /nfs/dbraw/zinc/91/83/58/1148918358.db2.gz BFPVKUKBZKWMRY-UHFFFAOYSA-N 0 3 310.438 2.265 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001278010015 1138426428 /nfs/dbraw/zinc/42/64/28/1138426428.db2.gz HPECTQYCEYGKMZ-HOTGVXAUSA-N 0 3 302.418 2.222 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001278010014 1138427299 /nfs/dbraw/zinc/42/72/99/1138427299.db2.gz HPECTQYCEYGKMZ-CVEARBPZSA-N 0 3 302.418 2.222 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCC#CCOC)CCCC1 ZINC001278036334 1138473875 /nfs/dbraw/zinc/47/38/75/1138473875.db2.gz 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1148945023 /nfs/dbraw/zinc/94/50/23/1148945023.db2.gz JSEXZGLAMRVIFT-VXLLPVPCSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccn1 ZINC001319835254 1140755130 /nfs/dbraw/zinc/75/51/30/1140755130.db2.gz JUUPNKACAIFQFA-WBVHZDCISA-N 0 3 317.433 2.001 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001320015968 1140812633 /nfs/dbraw/zinc/81/26/33/1140812633.db2.gz GHTCNQYPUAGDJY-OAHLLOKOSA-N 0 3 316.449 2.190 20 30 DEEDHN C=CCCC(=O)NC[C@H](O)CNCc1ccc(F)c(Cl)c1 ZINC001320205057 1140838517 /nfs/dbraw/zinc/83/85/17/1140838517.db2.gz ROCQOUPMNNNFDK-GFCCVEGCSA-N 0 3 314.788 2.012 20 30 DEEDHN C=CCO[C@@H]1CCN(CCOc2ccccc2C(=O)OC)C1 ZINC001320320838 1140849039 /nfs/dbraw/zinc/84/90/39/1140849039.db2.gz JUKIAJHOLJFWPZ-CQSZACIVSA-N 0 3 305.374 2.129 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)OCCCC)CCC[C@@H]12 ZINC001278440489 1140880371 /nfs/dbraw/zinc/88/03/71/1140880371.db2.gz OZGOPIWVIIOYEV-LZLYRXPVSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001320592996 1140883462 /nfs/dbraw/zinc/88/34/62/1140883462.db2.gz VVEDWUGVDWYJMY-USXIJHARSA-N 0 3 317.433 2.150 20 30 DEEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1ccnc(N(C)C)c1 ZINC001320810630 1140932501 /nfs/dbraw/zinc/93/25/01/1140932501.db2.gz ADOBAKVGMYPCBZ-UHFFFAOYSA-N 0 3 318.465 2.298 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1cc(Cl)ccc1F ZINC001321146011 1141066966 /nfs/dbraw/zinc/06/69/66/1141066966.db2.gz QUILADSOVWZPGN-IHWYPQMZSA-N 0 3 324.783 2.005 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001321333438 1141176137 /nfs/dbraw/zinc/17/61/37/1141176137.db2.gz CEPKUEZHFAQBNZ-KIUWMYQTSA-N 0 3 315.417 2.158 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001321420935 1141240926 /nfs/dbraw/zinc/24/09/26/1141240926.db2.gz UXEYYJXGYJPPES-FPLPWBNLSA-N 0 3 305.447 2.340 20 30 DEEDHN C=CC1(CC(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C)CCCCC1 ZINC001321672238 1141325819 /nfs/dbraw/zinc/32/58/19/1141325819.db2.gz 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1141829227 /nfs/dbraw/zinc/82/92/27/1141829227.db2.gz DXYNRPYJVIUAPJ-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001323339151 1141843912 /nfs/dbraw/zinc/84/39/12/1141843912.db2.gz DTFHMWJMHDUKJJ-MRXNPFEDSA-N 0 3 312.417 2.262 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C)n([C@@H](C)CC)n2)CC1 ZINC001323479699 1141857820 /nfs/dbraw/zinc/85/78/20/1141857820.db2.gz LKKZUQHXCZGCGB-ZDUSSCGKSA-N 0 3 302.422 2.038 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cccc4c3CCC4=O)no2)CCCN1 ZINC001249351932 1141877545 /nfs/dbraw/zinc/87/75/45/1141877545.db2.gz PZOKPPIXYUBEIH-GOSISDBHSA-N 0 3 307.353 2.468 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1c(C)nnn1CC ZINC001324221072 1142034407 /nfs/dbraw/zinc/03/44/07/1142034407.db2.gz KOBRKMKUKURSPW-OAHLLOKOSA-N 0 3 319.453 2.043 20 30 DEEDHN C=CCCC(=O)NC1(C)CCN(CCOC[C@@H]2CCCO2)CC1 ZINC001324301054 1142051457 /nfs/dbraw/zinc/05/14/57/1142051457.db2.gz GOGCNIANXHQPLS-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCN(C(=O)C/C=C(/C)C=C)C1CCN(CCOCC)CC1 ZINC001324413362 1142073189 /nfs/dbraw/zinc/07/31/89/1142073189.db2.gz LRJVUBZXLZWLES-IUXPMGMMSA-N 0 3 318.461 2.472 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1(COC)CC1)C2 ZINC001324556705 1142099246 /nfs/dbraw/zinc/09/92/46/1142099246.db2.gz KRBJSCDDDZDSPX-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001278558780 1142120184 /nfs/dbraw/zinc/12/01/84/1142120184.db2.gz LNGNSTKFQJSVHM-APWZRJJASA-N 0 3 321.424 2.346 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2cncc(CC)c2)C1 ZINC001324632192 1142166377 /nfs/dbraw/zinc/16/63/77/1142166377.db2.gz DEQYTPOJJKBAMQ-GOSISDBHSA-N 0 3 317.433 2.041 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)c2cccs2)CC1 ZINC001278593177 1142284719 /nfs/dbraw/zinc/28/47/19/1142284719.db2.gz CJSCOJJSBDNQFM-UHFFFAOYSA-N 0 3 320.458 2.230 20 30 DEEDHN C#CCOC[C@H](O)CN1CCC(Oc2cccc(Cl)c2)CC1 ZINC001251847889 1142522094 /nfs/dbraw/zinc/52/20/94/1142522094.db2.gz ORFCVPXNQPZUSC-OAHLLOKOSA-N 0 3 323.820 2.194 20 30 DEEDHN C#CCOC[C@H](O)CN[C@@H](C)c1ccccc1Br ZINC001251887603 1142533909 /nfs/dbraw/zinc/53/39/09/1142533909.db2.gz GHAZUDBFFNXEIA-NWDGAFQWSA-N 0 3 312.207 2.110 20 30 DEEDHN C#CCOC[C@@H](O)CNCc1cccc(C(F)(F)F)c1Cl ZINC001251887348 1142534399 /nfs/dbraw/zinc/53/43/99/1142534399.db2.gz AFQCZJPGAGSUHQ-NSHDSACASA-N 0 3 321.726 2.459 20 30 DEEDHN COC1(CC(=O)NC[C@H](C)NCc2ccc(C#N)s2)CCC1 ZINC001480452086 1151813938 /nfs/dbraw/zinc/81/39/38/1151813938.db2.gz IBGVWXWMHCFTMD-LBPRGKRZSA-N 0 3 321.446 2.173 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001252129977 1142649976 /nfs/dbraw/zinc/64/99/76/1142649976.db2.gz IFAXPTMDCHROTB-ZDUSSCGKSA-N 0 3 323.437 2.357 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001278658426 1142682146 /nfs/dbraw/zinc/68/21/46/1142682146.db2.gz FXEHRPNUVMJAHG-SJLPKXTDSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCOC[C@H](O)CN1CCC(C#N)(c2ccccc2)CC1 ZINC001252454305 1142718728 /nfs/dbraw/zinc/71/87/28/1142718728.db2.gz ORMUAXZUEYQDQO-QGZVFWFLSA-N 0 3 300.402 2.107 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC(C#N)(c2ccccc2)CC1 ZINC001252454304 1142719300 /nfs/dbraw/zinc/71/93/00/1142719300.db2.gz ORMUAXZUEYQDQO-KRWDZBQOSA-N 0 3 300.402 2.107 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001252675508 1142806247 /nfs/dbraw/zinc/80/62/47/1142806247.db2.gz IORJGDFMANFSTC-DLBZAZTESA-N 0 3 318.417 2.187 20 30 DEEDHN COc1ccc(OC[C@@H](O)CN2CCC[C@@H](C#N)CC2)cc1 ZINC001252716083 1142811586 /nfs/dbraw/zinc/81/15/86/1142811586.db2.gz HFLYWYRARJOAPG-CABCVRRESA-N 0 3 304.390 2.061 20 30 DEEDHN COc1ccc(OC[C@H](O)CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001252719602 1142811979 /nfs/dbraw/zinc/81/19/79/1142811979.db2.gz ZRILYNGTWZMCKX-LVQVYYBASA-N 0 3 316.401 2.201 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)C2CCC=CCC2)CC1(C)C ZINC001278691018 1142835811 /nfs/dbraw/zinc/83/58/11/1142835811.db2.gz WBKUJRHRXMWVKC-QGZVFWFLSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C[C@@H](O)CN[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001253566020 1142880846 /nfs/dbraw/zinc/88/08/46/1142880846.db2.gz VEVPHALPQHQEPS-HUUCEWRRSA-N 0 3 306.406 2.389 20 30 DEEDHN CC[C@@H](NC[C@H](O)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC001253706298 1142894675 /nfs/dbraw/zinc/89/46/75/1142894675.db2.gz MINBCJVZQPEQLU-CABCVRRESA-N 0 3 304.390 2.302 20 30 DEEDHN C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2CC)C1 ZINC001339614240 1143064325 /nfs/dbraw/zinc/06/43/25/1143064325.db2.gz BCJWOIKACZIUGB-HZPDHXFCSA-N 0 3 315.465 2.347 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1noc(CC)n1 ZINC001339876958 1143156471 /nfs/dbraw/zinc/15/64/71/1143156471.db2.gz WVJNDFNPWMSXGV-QWHCGFSZSA-N 0 3 306.410 2.369 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC001340032506 1143241714 /nfs/dbraw/zinc/24/17/14/1143241714.db2.gz CSAKYGQFUZSAGQ-HUUCEWRRSA-N 0 3 321.469 2.095 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2CCc3ncnc(N4CCCC4)c3CC2)C1 ZINC001254662881 1143306079 /nfs/dbraw/zinc/30/60/79/1143306079.db2.gz MAVLFDLPCLSHFK-LSDHHAIUSA-N 0 3 311.433 2.170 20 30 DEEDHN COc1cc(C)nc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC001254674671 1143310639 /nfs/dbraw/zinc/31/06/39/1143310639.db2.gz BKCYPRNWCCVEAX-UONOGXRCSA-N 0 3 316.405 2.329 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc2c1OCCCO2 ZINC001340324138 1143324621 /nfs/dbraw/zinc/32/46/21/1143324621.db2.gz UGGZHTDYBKNWLC-CQSZACIVSA-N 0 3 304.390 2.148 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC001340335730 1143326072 /nfs/dbraw/zinc/32/60/72/1143326072.db2.gz NRZKLUNBVJTUEI-MRXNPFEDSA-N 0 3 312.417 2.387 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCSC[C@@H]1C ZINC001340445582 1143348692 /nfs/dbraw/zinc/34/86/92/1143348692.db2.gz SJEOBXDOHKBEAN-UONOGXRCSA-N 0 3 321.494 2.215 20 30 DEEDHN N#Cc1cccc(N2CCN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)c1 ZINC001254962042 1143374710 /nfs/dbraw/zinc/37/47/10/1143374710.db2.gz ZUHRGTKBUHWBJQ-VQFNDLOPSA-N 0 3 309.413 2.438 20 30 DEEDHN C=CCn1c(N2CCN(CC(C)C)CC2)nnc1C(C)(C)C#N ZINC001340592707 1143377556 /nfs/dbraw/zinc/37/75/56/1143377556.db2.gz BFEOXCMUVOSUHS-UHFFFAOYSA-N 0 3 316.453 2.043 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001340789731 1143442009 /nfs/dbraw/zinc/44/20/09/1143442009.db2.gz ZNEOCPDPTQUNBN-DLBZAZTESA-N 0 3 318.417 2.279 20 30 DEEDHN CC[C@H](CC#N)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC001255169881 1143463874 /nfs/dbraw/zinc/46/38/74/1143463874.db2.gz LFTZHFCFSVMRER-CVEARBPZSA-N 0 3 319.449 2.030 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](Cc2nccs2)C1 ZINC001340994649 1143517911 /nfs/dbraw/zinc/51/79/11/1143517911.db2.gz JRXCIXYKOUYXRJ-KGLIPLIRSA-N 0 3 320.462 2.335 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC001341595863 1143634717 /nfs/dbraw/zinc/63/47/17/1143634717.db2.gz UGGJUJDDQHLBPG-HNNXBMFYSA-N 0 3 316.405 2.228 20 30 DEEDHN C=C[C@H](COC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC001342762402 1143835430 /nfs/dbraw/zinc/83/54/30/1143835430.db2.gz JSRVQKMFNIXOKG-GFCCVEGCSA-N 0 3 302.374 2.425 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001342778236 1143835809 /nfs/dbraw/zinc/83/58/09/1143835809.db2.gz KGRKPIHBDNBETL-HIFRSBDPSA-N 0 3 318.417 2.493 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cccc2nc[nH]c21)C(C)C ZINC001278926525 1143841292 /nfs/dbraw/zinc/84/12/92/1143841292.db2.gz PMWWWJFJRIYCRK-UHFFFAOYSA-N 0 3 312.417 2.369 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257095145 1143887303 /nfs/dbraw/zinc/88/73/03/1143887303.db2.gz SNLAHHVAHZQYIY-IVSAIRAKSA-N 0 3 319.449 2.478 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1cnnn1C)C(C)(C)C ZINC001278996175 1143890369 /nfs/dbraw/zinc/89/03/69/1143890369.db2.gz UBRIWARCOQHOND-YOEHRIQHSA-N 0 3 321.469 2.038 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001421672666 1171893687 /nfs/dbraw/zinc/89/36/87/1171893687.db2.gz DNTGKJMCTIQVEI-NEPJUHHUSA-N 0 3 306.410 2.108 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ccncc2)C1 ZINC001261695894 1144268440 /nfs/dbraw/zinc/26/84/40/1144268440.db2.gz SEMSVKWCZXBADO-ZWKOTPCHSA-N 0 3 311.429 2.422 20 30 DEEDHN C=CCn1c(N2CCN([C@@H](C)CC)CC2)nnc1C(C)(F)F ZINC001262955473 1144344636 /nfs/dbraw/zinc/34/46/36/1144344636.db2.gz IICJWIBULPZZSE-LBPRGKRZSA-N 0 3 313.396 2.496 20 30 DEEDHN C=C[C@@](C)(CCOC)COC(=O)C1CCCN(C2CC2)C1=O ZINC001263471533 1144376547 /nfs/dbraw/zinc/37/65/47/1144376547.db2.gz FTQHZHNVKXZKSL-YOEHRIQHSA-N 0 3 309.406 2.159 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C1CCC(OCCOC)CC1 ZINC001263616754 1144383353 /nfs/dbraw/zinc/38/33/53/1144383353.db2.gz HLRANVNMKAQQFX-NRXISQOPSA-N 0 3 319.405 2.301 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](OC)c1ccccc1 ZINC001263819093 1144399874 /nfs/dbraw/zinc/39/98/74/1144399874.db2.gz NOAHVGRBBZBVMA-IAGOWNOFSA-N 0 3 302.418 2.483 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001263832882 1144405952 /nfs/dbraw/zinc/40/59/52/1144405952.db2.gz ZWFBNYJKRKEZCT-FZNQNYSPSA-N 0 3 302.393 2.470 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001263862111 1144415299 /nfs/dbraw/zinc/41/52/99/1144415299.db2.gz ZQKBWYRYJQJJJS-CTYIDZIISA-N 0 3 317.820 2.133 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Oc2cccnc2)[C@H]1CC ZINC001264062470 1144453207 /nfs/dbraw/zinc/45/32/07/1144453207.db2.gz HFMZTDRCQAFOIA-VNQPRFMTSA-N 0 3 303.406 2.004 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(CCOCC(C)C)[C@@H]1C ZINC001264156129 1144490302 /nfs/dbraw/zinc/49/03/02/1144490302.db2.gz MMHLSXUCHDEJPX-SJORKVTESA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](OC)C2CCCCC2)[C@H]1C ZINC001264179420 1144497064 /nfs/dbraw/zinc/49/70/64/1144497064.db2.gz UOHZEIFBAIGDQX-PVAVHDDUSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001264416989 1144534888 /nfs/dbraw/zinc/53/48/88/1144534888.db2.gz KVXAJMLERZKPQF-KOMQPUFPSA-N 0 3 320.408 2.321 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCCCN(C(=O)C=C(C)C)C1 ZINC001264670832 1144589149 /nfs/dbraw/zinc/58/91/49/1144589149.db2.gz JAKBRPYYXWSIGQ-HZPDHXFCSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(C)CCC(=O)N1CCCCC[C@H](NCc2cnnn2C)C1 ZINC001264678416 1144591587 /nfs/dbraw/zinc/59/15/87/1144591587.db2.gz VPCNGDHMTQLSHP-HNNXBMFYSA-N 0 3 319.453 2.032 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001265079981 1144639120 /nfs/dbraw/zinc/63/91/20/1144639120.db2.gz MZOKSKJESPZJIB-HOCLYGCPSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(CCCNC(=O)c1nc(C(C)C)oc1C)C1CC1 ZINC001265161392 1144657952 /nfs/dbraw/zinc/65/79/52/1144657952.db2.gz LTFHPNZBAMGIIU-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc2cc(C)cn2c1)C1CC1 ZINC001265164885 1144658478 /nfs/dbraw/zinc/65/84/78/1144658478.db2.gz YBZGHQYUWNVOQV-UHFFFAOYSA-N 0 3 309.413 2.465 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)Cc2cccs2)CC1 ZINC001265186351 1144662942 /nfs/dbraw/zinc/66/29/42/1144662942.db2.gz PQSNDACUUQEJKM-UHFFFAOYSA-N 0 3 322.474 2.416 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001265210293 1144666986 /nfs/dbraw/zinc/66/69/86/1144666986.db2.gz JBCRFAGXFPSSQU-HKUYNNGSSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001265213839 1144668645 /nfs/dbraw/zinc/66/86/45/1144668645.db2.gz ZOFCYRZYUYUYSJ-WMLDXEAASA-N 0 3 322.474 2.198 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COCc2ccc(C)cc2)C1 ZINC001265216857 1144669056 /nfs/dbraw/zinc/66/90/56/1144669056.db2.gz PWGAKWJOUPBTPT-SFHVURJKSA-N 0 3 314.429 2.116 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001265251516 1144676192 /nfs/dbraw/zinc/67/61/92/1144676192.db2.gz IYWKKICFWNNBKZ-IAGOWNOFSA-N 0 3 307.482 2.123 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCn2cnc3ccccc32)C1 ZINC001265292798 1144685536 /nfs/dbraw/zinc/68/55/36/1144685536.db2.gz RVYXOJKUBZVNJQ-OAHLLOKOSA-N 0 3 312.417 2.193 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001265303208 1144688410 /nfs/dbraw/zinc/68/84/10/1144688410.db2.gz CPWGKSMXCGLXNE-CVEARBPZSA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)Cc2ccco2)CC1 ZINC001265334170 1144694776 /nfs/dbraw/zinc/69/47/76/1144694776.db2.gz LIEDPWPFAJPXFW-HOCLYGCPSA-N 0 3 300.402 2.062 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCc1cnc(C)nc1)C1CC1 ZINC001265369682 1144699059 /nfs/dbraw/zinc/69/90/59/1144699059.db2.gz BTTNLIYZZGCBEU-WMZOPIPTSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ncccc1OC ZINC001265650812 1144722752 /nfs/dbraw/zinc/72/27/52/1144722752.db2.gz DTLQZROSHVXMGL-OAHLLOKOSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001265657785 1144723468 /nfs/dbraw/zinc/72/34/68/1144723468.db2.gz KPAFANZEFMYUFP-AWEZNQCLSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)COc2cccc(C)c2)C1 ZINC001265707701 1144732587 /nfs/dbraw/zinc/73/25/87/1144732587.db2.gz DRQKTMBSHNMJBU-IAGOWNOFSA-N 0 3 314.429 2.224 20 30 DEEDHN Cc1ccncc1CN(C)CCCNC(=O)C#CC(C)(C)C ZINC001265843363 1144746552 /nfs/dbraw/zinc/74/65/52/1144746552.db2.gz ZYRBBKCDBIPHIF-UHFFFAOYSA-N 0 3 301.434 2.378 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC001265895378 1144751767 /nfs/dbraw/zinc/75/17/67/1144751767.db2.gz KKVKHTWXZJVWRX-CVEARBPZSA-N 0 3 323.481 2.177 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)Cc2ccccn2)nc1 ZINC001266103306 1144805683 /nfs/dbraw/zinc/80/56/83/1144805683.db2.gz WCUDBKQHWRLURJ-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@H](OC)c1ccccc1)C1CC1 ZINC001266169031 1144811346 /nfs/dbraw/zinc/81/13/46/1144811346.db2.gz NJEDCTFODYJGFS-GOSISDBHSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCCCCC(=O)NCC1=CCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC001279536931 1144823941 /nfs/dbraw/zinc/82/39/41/1144823941.db2.gz XMRUGWMRHVMPBU-WMZOPIPTSA-N 0 3 318.461 2.496 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001280305784 1144835400 /nfs/dbraw/zinc/83/54/00/1144835400.db2.gz MBTHUBCXLITBPJ-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cn(C)cn1 ZINC001280324639 1144835693 /nfs/dbraw/zinc/83/56/93/1144835693.db2.gz JTPSWRGMJOUANF-UHFFFAOYSA-N 0 3 312.417 2.358 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CC[C@H]2CCCCO2)CC1 ZINC001280758763 1144853642 /nfs/dbraw/zinc/85/36/42/1144853642.db2.gz FDAMITUYGMBGEX-DLBZAZTESA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001281345126 1144884012 /nfs/dbraw/zinc/88/40/12/1144884012.db2.gz PXTMQJKZNBYOCH-NRXISQOPSA-N 0 3 323.481 2.035 20 30 DEEDHN CO[C@@H](C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C#CC(C)C ZINC001281905063 1144919030 /nfs/dbraw/zinc/91/90/30/1144919030.db2.gz FBOLOFWTYWGVFO-POZUXBRTSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ocnc1C(F)(F)F ZINC001281950208 1144922798 /nfs/dbraw/zinc/92/27/98/1144922798.db2.gz RTBJRNVJXGHUQJ-SNVBAGLBSA-N 0 3 317.311 2.416 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C(F)F)n(C)n1 ZINC001281951176 1144922847 /nfs/dbraw/zinc/92/28/47/1144922847.db2.gz YGQUNASEORZGBW-NSHDSACASA-N 0 3 312.364 2.080 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001281949351 1144922912 /nfs/dbraw/zinc/92/29/12/1144922912.db2.gz INCVCKTVBSRGNR-IXDOHACOSA-N 0 3 306.450 2.158 20 30 DEEDHN COCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001282097785 1144974758 /nfs/dbraw/zinc/97/47/58/1144974758.db2.gz NDXRCELZOCSFAF-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ccnn2C)CCC1 ZINC001282185010 1145009384 /nfs/dbraw/zinc/00/93/84/1145009384.db2.gz MOTNKHDYCBWLLC-KGLIPLIRSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)Cc1cccc(C)c1 ZINC001282378028 1145052445 /nfs/dbraw/zinc/05/24/45/1145052445.db2.gz IZALNDKJYUAMEW-CRAIPNDOSA-N 0 3 304.434 2.259 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1 ZINC001282378509 1145053682 /nfs/dbraw/zinc/05/36/82/1145053682.db2.gz RGMHIOHOTQAHEK-SUMWQHHRSA-N 0 3 308.397 2.089 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CCc2nc(C)cs2)C(C)(C)C1 ZINC001282813688 1145169895 /nfs/dbraw/zinc/16/98/95/1145169895.db2.gz ZEFMLFKBYQRXFN-AWEZNQCLSA-N 0 3 319.474 2.234 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC001282819976 1145171657 /nfs/dbraw/zinc/17/16/57/1145171657.db2.gz JGCGABGYXVTKJW-HNNXBMFYSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCOCCN1CCCC2(CN(C(=O)c3cc[nH]c3C)C2)C1 ZINC001282957176 1145212759 /nfs/dbraw/zinc/21/27/59/1145212759.db2.gz NSRVDLFIICPNSC-UHFFFAOYSA-N 0 3 317.433 2.064 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](OC(C)C)c2ccccc2)C1 ZINC001493271158 1145344796 /nfs/dbraw/zinc/34/47/96/1145344796.db2.gz VOKAULIDQNEHOC-SJLPKXTDSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1oc2ccccc2c1C ZINC001283421996 1145403673 /nfs/dbraw/zinc/40/36/73/1145403673.db2.gz OGGGKRZRJGTKCL-UHFFFAOYSA-N 0 3 314.385 2.053 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCC(=O)NC(CC)CC)C1 ZINC001283663509 1145568583 /nfs/dbraw/zinc/56/85/83/1145568583.db2.gz OLBJQHDLAHXTAL-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](CN(C)C(=O)CCn1cccc1)NCC#Cc1ccccc1 ZINC001283691239 1145589019 /nfs/dbraw/zinc/58/90/19/1145589019.db2.gz KZEULDXWGMSIDJ-SFHVURJKSA-N 0 3 323.440 2.366 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001284016937 1145754000 /nfs/dbraw/zinc/75/40/00/1145754000.db2.gz LAOKTCMSUGLWJB-GDBMZVCRSA-N 0 3 301.434 2.429 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001284321796 1145836662 /nfs/dbraw/zinc/83/66/62/1145836662.db2.gz UWWRBPMOMKYZQN-KDOFPFPSSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)CCC2(C)CC2)CC1(C)C ZINC001284334596 1145838366 /nfs/dbraw/zinc/83/83/66/1145838366.db2.gz FIXRVMDQUSHZAK-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)Cc1ccccc1 ZINC001284506864 1145864600 /nfs/dbraw/zinc/86/46/00/1145864600.db2.gz XCVHSPNQZVQSNE-MRXNPFEDSA-N 0 3 304.434 2.150 20 30 DEEDHN C=CCCCC(=O)N(C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001284521969 1145866918 /nfs/dbraw/zinc/86/69/18/1145866918.db2.gz BQSVKPRSIRVXSY-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccnn1C(C)C)C(C)C ZINC001284539075 1145868812 /nfs/dbraw/zinc/86/88/12/1145868812.db2.gz ZTKTTZAYHKUCEI-UHFFFAOYSA-N 0 3 304.438 2.270 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)C(C)=C2CCC2)CC1 ZINC001284685106 1145890041 /nfs/dbraw/zinc/89/00/41/1145890041.db2.gz YMDAGTJZAIBKGA-MRXNPFEDSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C1CCN([C@H](CC)C(N)=O)CC1 ZINC001284693445 1145891576 /nfs/dbraw/zinc/89/15/76/1145891576.db2.gz HCJADFRVYSBIRC-UKRRQHHQSA-N 0 3 323.481 2.069 20 30 DEEDHN C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nnnn1C ZINC001365616476 1145917450 /nfs/dbraw/zinc/91/74/50/1145917450.db2.gz QZRNATDMIRKMNR-BZOOQXSSSA-N 0 3 310.405 2.265 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001288005959 1146761464 /nfs/dbraw/zinc/76/14/64/1146761464.db2.gz MBRKBBZOMQBLIF-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001290719690 1146840920 /nfs/dbraw/zinc/84/09/20/1146840920.db2.gz FOJMPGHVYWGSSE-RVKKMQEKSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2ocnc2C)C1 ZINC001491876460 1146945786 /nfs/dbraw/zinc/94/57/86/1146945786.db2.gz NJWYTAHWNLBBMX-HUUCEWRRSA-N 0 3 303.406 2.304 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccnn2C(C)C)C1 ZINC001491928271 1147003079 /nfs/dbraw/zinc/00/30/79/1147003079.db2.gz CGCOULBAPGUFJE-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccnn2CC(C)C)C1 ZINC001491928641 1147003092 /nfs/dbraw/zinc/00/30/92/1147003092.db2.gz GXRGHYVLOKMFQF-INIZCTEOSA-N 0 3 316.449 2.099 20 30 DEEDHN CC(C)C(=O)NC[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001366025094 1147014821 /nfs/dbraw/zinc/01/48/21/1147014821.db2.gz IYWCEDUTSZOFJS-INIZCTEOSA-N 0 3 303.381 2.338 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cnoc2C(C)C)C1 ZINC001491956046 1147018441 /nfs/dbraw/zinc/01/84/41/1147018441.db2.gz GSJIMWSCWHTEIT-AWEZNQCLSA-N 0 3 303.406 2.358 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001366138151 1147073527 /nfs/dbraw/zinc/07/35/27/1147073527.db2.gz DHTKEOKKFFEHFY-LEWSCRJBSA-N 0 3 321.421 2.186 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001492163370 1147108003 /nfs/dbraw/zinc/10/80/03/1147108003.db2.gz MZBMMJUTCSXLTR-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1cccnc1 ZINC001366427948 1147268582 /nfs/dbraw/zinc/26/85/82/1147268582.db2.gz GCJMOJXKYLZDDA-NSHDSACASA-N 0 3 312.211 2.088 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1cscn1 ZINC001366448438 1147286960 /nfs/dbraw/zinc/28/69/60/1147286960.db2.gz UWAZFNXCSBQMGG-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001316743278 1147520907 /nfs/dbraw/zinc/52/09/07/1147520907.db2.gz DDHSKKDUZFRWFM-NVXWUHKLSA-N 0 3 314.445 2.376 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001317519154 1147544887 /nfs/dbraw/zinc/54/48/87/1147544887.db2.gz QIMILOYEDTUQFR-KSSFIOAISA-N 0 3 320.408 2.091 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001317519152 1147545506 /nfs/dbraw/zinc/54/55/06/1147545506.db2.gz QIMILOYEDTUQFR-KDOFPFPSSA-N 0 3 320.408 2.091 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3cccc(OC)c3)C2)C1 ZINC001313441074 1147562920 /nfs/dbraw/zinc/56/29/20/1147562920.db2.gz SQTKHAUSUJWENI-UHFFFAOYSA-N 0 3 314.429 2.348 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)CC ZINC001316870319 1147617727 /nfs/dbraw/zinc/61/77/27/1147617727.db2.gz KUVBVPGOBGKKFL-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C2C=CC=CC=C2)CC1 ZINC001316930614 1147633692 /nfs/dbraw/zinc/63/36/92/1147633692.db2.gz IPBZCBINEHRHTN-UHFFFAOYSA-N 0 3 316.445 2.410 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001316942050 1147635833 /nfs/dbraw/zinc/63/58/33/1147635833.db2.gz UTZCAVUYUMWIQL-MRXNPFEDSA-N 0 3 322.474 2.464 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001317065177 1147655315 /nfs/dbraw/zinc/65/53/15/1147655315.db2.gz VUVOKLOGMIMFBC-BHYGNILZSA-N 0 3 312.413 2.013 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(C)nc2OCCC)C1 ZINC001317067333 1147655774 /nfs/dbraw/zinc/65/57/74/1147655774.db2.gz NWAFKBLKSCDIRF-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1)c1cc[nH]c1 ZINC001317078198 1147657038 /nfs/dbraw/zinc/65/70/38/1147657038.db2.gz JGVFQHUFFVCPFB-QAQDUYKDSA-N 0 3 311.360 2.056 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@](C)(CNCc1cc(F)ccc1F)C1CC1 ZINC001367168409 1147659664 /nfs/dbraw/zinc/65/96/64/1147659664.db2.gz ACDNRQFYEHBJNL-DIFFPNOSSA-N 0 3 321.371 2.499 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001317109283 1147660800 /nfs/dbraw/zinc/66/08/00/1147660800.db2.gz CCXNWMLJFRYEFJ-GASCZTMLSA-N 0 3 306.356 2.361 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@H]1C ZINC001367182744 1147661351 /nfs/dbraw/zinc/66/13/51/1147661351.db2.gz HRRJZMUKHKAXQJ-WBMJQRKESA-N 0 3 324.856 2.359 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001317196891 1147674884 /nfs/dbraw/zinc/67/48/84/1147674884.db2.gz ZALQSROPRCWIFP-INIZCTEOSA-N 0 3 304.438 2.247 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCc2cccnc2)C1 ZINC001317205584 1147676404 /nfs/dbraw/zinc/67/64/04/1147676404.db2.gz QAFATUUKLMLARG-FUHWJXTLSA-N 0 3 313.445 2.254 20 30 DEEDHN C[C@@H](CNC(=O)C#CC1CC1)N[C@H]1CCc2c1cc(F)cc2F ZINC001317239485 1147681315 /nfs/dbraw/zinc/68/13/15/1147681315.db2.gz RNBPYUGPBGJYQU-GTNSWQLSSA-N 0 3 318.367 2.460 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001317291557 1147686357 /nfs/dbraw/zinc/68/63/57/1147686357.db2.gz TVWOTCNLKFMAOP-CVEARBPZSA-N 0 3 308.466 2.337 20 30 DEEDHN C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001317363179 1147696477 /nfs/dbraw/zinc/69/64/77/1147696477.db2.gz FUJCUDSGPKJJCF-KGLIPLIRSA-N 0 3 318.421 2.087 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H](C)n1ccnc1)C(C)C ZINC001367481868 1147700519 /nfs/dbraw/zinc/70/05/19/1147700519.db2.gz LEBDWPGKFHMNSF-UONOGXRCSA-N 0 3 312.845 2.317 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc2c(c1)CCC2 ZINC001317469635 1147712799 /nfs/dbraw/zinc/71/27/99/1147712799.db2.gz FCTQOHGDZJXDDU-UHFFFAOYSA-N 0 3 302.418 2.040 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2ccccc2CC)nc1 ZINC001317467298 1147713025 /nfs/dbraw/zinc/71/30/25/1147713025.db2.gz REXVAQBJHNIAKY-UHFFFAOYSA-N 0 3 321.424 2.487 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(CCOCC)CCC1 ZINC001317506326 1147716933 /nfs/dbraw/zinc/71/69/33/1147716933.db2.gz ZFHASEZCUUTUKC-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN(CCNC(=O)Cc1cn2cc(C)sc2n1)C1CC1 ZINC001317554529 1147724630 /nfs/dbraw/zinc/72/46/30/1147724630.db2.gz WYQJWZUPCBUFGS-UHFFFAOYSA-N 0 3 318.446 2.013 20 30 DEEDHN COC[C@H](C)[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001317594880 1147730746 /nfs/dbraw/zinc/73/07/46/1147730746.db2.gz ZQCXYKDBJGKDCU-GJZGRUSLSA-N 0 3 317.433 2.025 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001367727289 1147733623 /nfs/dbraw/zinc/73/36/23/1147733623.db2.gz HLMQALQNZOZZEU-WDEREUQCSA-N 0 3 311.476 2.356 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CCc1ccoc1 ZINC001367731583 1147734606 /nfs/dbraw/zinc/73/46/06/1147734606.db2.gz DNHJWZQTVPNHPR-LBPRGKRZSA-N 0 3 317.414 2.440 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)C[C@@H](C)NC(=O)[C@H](C)C#N)c1 ZINC001367787664 1147744939 /nfs/dbraw/zinc/74/49/39/1147744939.db2.gz MNNALUKXQBUFLW-HZPDHXFCSA-N 0 3 317.433 2.278 20 30 DEEDHN C=CCCCN1CCC[C@H](NC(=O)c2scnc2COC)C1 ZINC001317984391 1147764452 /nfs/dbraw/zinc/76/44/52/1147764452.db2.gz ACMFZLCIATWHJE-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001318283928 1147807039 /nfs/dbraw/zinc/80/70/39/1147807039.db2.gz KDWKSQWSHNPSFY-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC2(NC/C=C\c3ccccc3)CC2)c1 ZINC001367990927 1147820864 /nfs/dbraw/zinc/82/08/64/1147820864.db2.gz LZJYGBLIQKSHOS-DAXSKMNVSA-N 0 3 320.396 2.452 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001324655530 1147826262 /nfs/dbraw/zinc/82/62/62/1147826262.db2.gz GBVMXWQUSXGXMP-KRWDZBQOSA-N 0 3 317.364 2.276 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)COc2ccc(OC)cc2)C1 ZINC001324671339 1147829051 /nfs/dbraw/zinc/82/90/51/1147829051.db2.gz CDOGZDPXHYSJOM-GOSISDBHSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cc1cc[nH]n1)c1ccccc1CC ZINC001325362662 1147896392 /nfs/dbraw/zinc/89/63/92/1147896392.db2.gz ODDBEKSMSBHMRE-KRWDZBQOSA-N 0 3 312.417 2.148 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1cnc(-c2ccccc2)s1 ZINC001326313696 1148075841 /nfs/dbraw/zinc/07/58/41/1148075841.db2.gz PFZXBYKDLKQJJF-AWEZNQCLSA-N 0 3 314.414 2.447 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cccn2)cc1 ZINC001326490626 1148113283 /nfs/dbraw/zinc/11/32/83/1148113283.db2.gz RMDOHCGGWSUONI-HZPDHXFCSA-N 0 3 324.428 2.434 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CCCCCOCC)C2)CC1 ZINC001326603980 1148159998 /nfs/dbraw/zinc/15/99/98/1148159998.db2.gz PIQDINQZWIAPBI-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H](C)CCC=C(C)C)CCO1 ZINC001327037387 1148314966 /nfs/dbraw/zinc/31/49/66/1148314966.db2.gz YKCYIYDQYHKHES-IAGOWNOFSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2sccc2C2CC2)CCO1 ZINC001327063537 1148318181 /nfs/dbraw/zinc/31/81/81/1148318181.db2.gz KSGRJZOTLAPVEQ-CQSZACIVSA-N 0 3 318.442 2.079 20 30 DEEDHN CC1(CNC(=O)c2c[nH]c(C#N)c2)CCN(C/C=C\Cl)CC1 ZINC001368196551 1148318625 /nfs/dbraw/zinc/31/86/25/1148318625.db2.gz BEVUYIOYLKKUFJ-DJWKRKHSSA-N 0 3 320.824 2.471 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CCO1 ZINC001327067006 1148319078 /nfs/dbraw/zinc/31/90/78/1148319078.db2.gz ZLSFXUVENBCMPF-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN CC[C@@H](F)CN1CCC(C)(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001368200828 1148321015 /nfs/dbraw/zinc/32/10/15/1148321015.db2.gz ZOADJHHTYKMMSU-CYBMUJFWSA-N 0 3 320.412 2.466 20 30 DEEDHN CCc1nocc1CN1CCC(C)(CNC(=O)[C@@H](C)C#N)CC1 ZINC001368203379 1148323174 /nfs/dbraw/zinc/32/31/74/1148323174.db2.gz GOWQXFRRHNAJCX-ZDUSSCGKSA-N 0 3 318.421 2.115 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCC(C)CC1 ZINC000612141732 361756506 /nfs/dbraw/zinc/75/65/06/361756506.db2.gz PXFXYVDCCZPQOY-RDJZCZTQSA-N 0 3 306.454 2.442 20 30 DEEDHN COC(C)(C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000278629291 214287750 /nfs/dbraw/zinc/28/77/50/214287750.db2.gz XYQOZVLCIBVGMB-UHFFFAOYSA-N 0 3 317.433 2.264 20 30 DEEDHN CN1CCC(O)(CNC(=O)N[C@@H]2CCCCC23CCCC3)CC1 ZINC000329838670 404467576 /nfs/dbraw/zinc/46/75/76/404467576.db2.gz VVEKVCIVIGNXHX-OAHLLOKOSA-N 0 3 323.481 2.450 20 30 DEEDHN C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1cccc(C#N)c1 ZINC000613388730 362098245 /nfs/dbraw/zinc/09/82/45/362098245.db2.gz DDNRGAPRCOMMTB-KSSFIOAISA-N 0 3 323.396 2.251 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(C)nc1CC)C(C)C ZINC000092457545 185320019 /nfs/dbraw/zinc/32/00/19/185320019.db2.gz ZOHMGADKJVTEDO-QGZVFWFLSA-N 0 3 318.465 2.411 20 30 DEEDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000181564229 199319278 /nfs/dbraw/zinc/31/92/78/199319278.db2.gz CGXZIMWYQWXNIU-CQSZACIVSA-N 0 3 307.781 2.165 20 30 DEEDHN CCc1nn(C)c(OC)c1CNC(=N)Nc1cc(F)ccc1F ZINC000262290146 529767759 /nfs/dbraw/zinc/76/77/59/529767759.db2.gz NKXUEDKIJKEURQ-UHFFFAOYSA-N 0 3 323.347 2.196 20 30 DEEDHN CN1CCC(O)(CNC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000331093612 530050800 /nfs/dbraw/zinc/05/08/00/530050800.db2.gz YNTBKYOQLNKTRD-UHFFFAOYSA-N 0 3 315.776 2.262 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C2CC2)nn1)C(C)C ZINC000625557542 365829007 /nfs/dbraw/zinc/82/90/07/365829007.db2.gz OQSGZUIHFKBCNO-INIZCTEOSA-N 0 3 317.437 2.041 20 30 DEEDHN CCCCCN(CCCOc1cccc(C#N)c1)CC(N)=O ZINC000272638846 210043020 /nfs/dbraw/zinc/04/30/20/210043020.db2.gz XEZOWSVREHELBU-UHFFFAOYSA-N 0 3 303.406 2.305 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000413991253 404468417 /nfs/dbraw/zinc/46/84/17/404468417.db2.gz QSLMGLOZSDPCFJ-QLFBSQMISA-N 0 3 322.355 2.424 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000595460594 358455240 /nfs/dbraw/zinc/45/52/40/358455240.db2.gz FIIVLZDRYVHEKD-CJNGLKHVSA-N 0 3 300.406 2.403 20 30 DEEDHN CC[C@]1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1 ZINC000616865522 362951975 /nfs/dbraw/zinc/95/19/75/362951975.db2.gz SVOAJMFEEJQGLW-HNNXBMFYSA-N 0 3 307.781 2.309 20 30 DEEDHN C[C@H]1COCCN1C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595496616 358465125 /nfs/dbraw/zinc/46/51/25/358465125.db2.gz DXRILPGGXYQEAQ-INIZCTEOSA-N 0 3 313.445 2.286 20 30 DEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595504516 358467162 /nfs/dbraw/zinc/46/71/62/358467162.db2.gz FFSNUTZZAFSNRI-QGZVFWFLSA-N 0 3 311.429 2.337 20 30 DEEDHN N#Cc1nccnc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277149380 213326581 /nfs/dbraw/zinc/32/65/81/213326581.db2.gz KTRICWBZMBAAFN-MRXNPFEDSA-N 0 3 323.400 2.051 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1F ZINC000331927633 234287152 /nfs/dbraw/zinc/28/71/52/234287152.db2.gz MJZMZMQTIJHXHZ-UAGQMJEPSA-N 0 3 304.365 2.059 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000173841813 198259238 /nfs/dbraw/zinc/25/92/38/198259238.db2.gz QNIORTNKDDDGBB-UHFFFAOYSA-N 0 3 314.385 2.065 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](c2cccs2)N2CCOCC2)o1 ZINC000174240219 198308950 /nfs/dbraw/zinc/30/89/50/198308950.db2.gz PGELAEZOTVTDEB-HNNXBMFYSA-N 0 3 317.414 2.376 20 30 DEEDHN CCc1ccc([C@H](CNC(=O)c2cc(C#N)c[nH]2)N(C)C)cc1 ZINC000175096666 198426985 /nfs/dbraw/zinc/42/69/85/198426985.db2.gz CXVYSOPSPULDFB-KRWDZBQOSA-N 0 3 310.401 2.481 20 30 DEEDHN N#Cc1cccc(CNCc2ccccc2Cn2cncn2)c1 ZINC000030900740 354130200 /nfs/dbraw/zinc/13/02/00/354130200.db2.gz RKYLHRUYNAKJLT-UHFFFAOYSA-N 0 3 303.369 2.488 20 30 DEEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000617957467 363330295 /nfs/dbraw/zinc/33/02/95/363330295.db2.gz GUEOCDMXQAYALA-RDJZCZTQSA-N 0 3 304.438 2.339 20 30 DEEDHN C[C@@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000048981888 354357156 /nfs/dbraw/zinc/35/71/56/354357156.db2.gz BXBURMOXVVMBEU-GJZGRUSLSA-N 0 3 314.433 2.478 20 30 DEEDHN CC1CCN(CCNC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000048509232 354353400 /nfs/dbraw/zinc/35/34/00/354353400.db2.gz UQOLXPYJXDDVHG-UHFFFAOYSA-N 0 3 316.405 2.442 20 30 DEEDHN Cn1cc(CCCN2CCCN(c3ccccc3C#N)CC2)cn1 ZINC000054316916 354458624 /nfs/dbraw/zinc/45/86/24/354458624.db2.gz XETVUDMDNNBBGP-UHFFFAOYSA-N 0 3 323.444 2.437 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000057137057 354557329 /nfs/dbraw/zinc/55/73/29/354557329.db2.gz LWNAWFPCQJISRB-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C#CCN1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000057125611 354557432 /nfs/dbraw/zinc/55/74/32/354557432.db2.gz QFBLOIVHOTUBPV-UHFFFAOYSA-N 0 3 300.446 2.417 20 30 DEEDHN C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000063586820 354649667 /nfs/dbraw/zinc/64/96/67/354649667.db2.gz RVSKTOJMMJDLJY-HNNXBMFYSA-N 0 3 314.433 2.207 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCCC)C1 ZINC000065243881 354680715 /nfs/dbraw/zinc/68/07/15/354680715.db2.gz YLIVXEJGZIXNAG-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN N#CC1(CCCN2CCC[C@H]2[C@@H](O)C(F)(F)F)CCOCC1 ZINC000330373013 283044177 /nfs/dbraw/zinc/04/41/77/283044177.db2.gz AUVJYHXSFIGZTB-QWHCGFSZSA-N 0 3 320.355 2.475 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000069077984 354846675 /nfs/dbraw/zinc/84/66/75/354846675.db2.gz XDWIXFFIMVXTFV-QGZVFWFLSA-N 0 3 305.466 2.137 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)n(C)n1)C(C)C ZINC000076483485 355151476 /nfs/dbraw/zinc/15/14/76/355151476.db2.gz KQRYQRZILLZFAS-MRXNPFEDSA-N 0 3 304.438 2.157 20 30 DEEDHN C[C@@](CO)(NCC(=O)NC1(C#N)CCCCC1)C1CCCCC1 ZINC000077656406 355219407 /nfs/dbraw/zinc/21/94/07/355219407.db2.gz GMLJQJLXLNWQSC-KRWDZBQOSA-N 0 3 321.465 2.250 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@H](OCC)C(C)C)CC1 ZINC000074877472 191377324 /nfs/dbraw/zinc/37/73/24/191377324.db2.gz SPCHAGWLKREOFK-INIZCTEOSA-N 0 3 311.470 2.387 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081687348 355444045 /nfs/dbraw/zinc/44/40/45/355444045.db2.gz ZQVGYKDUPHIJDU-ZWKOTPCHSA-N 0 3 309.413 2.428 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@]1(C)CO)C(C)C ZINC000124526416 355809489 /nfs/dbraw/zinc/80/94/89/355809489.db2.gz AVKVHBCXGJGYEV-FUHWJXTLSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCC[C@@H](NCC(=O)N1CCN(C)CC1)c1ccccc1 ZINC000159947814 355963134 /nfs/dbraw/zinc/96/31/34/355963134.db2.gz NYQOFHAKLSJNIR-QGZVFWFLSA-N 0 3 301.434 2.058 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](CC)C(C)(C)c1ccccc1 ZINC000180007453 356039963 /nfs/dbraw/zinc/03/99/63/356039963.db2.gz WVKZHZZAHREZDM-HNNXBMFYSA-N 0 3 317.433 2.344 20 30 DEEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCC=C)c1ccccc1 ZINC000180045020 356040903 /nfs/dbraw/zinc/04/09/03/356040903.db2.gz KSFMIGPSAIWSMY-OAHLLOKOSA-N 0 3 301.390 2.295 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000182542943 356131521 /nfs/dbraw/zinc/13/15/21/356131521.db2.gz WUTRTILXYHHWOT-HOCLYGCPSA-N 0 3 300.406 2.282 20 30 DEEDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000182552159 356131769 /nfs/dbraw/zinc/13/17/69/356131769.db2.gz MJUVRARPCLXMIU-ZDUSSCGKSA-N 0 3 316.405 2.058 20 30 DEEDHN C[C@H](C#N)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000182581415 356132560 /nfs/dbraw/zinc/13/25/60/356132560.db2.gz NMONULIFCWWFDJ-CQSZACIVSA-N 0 3 314.433 2.282 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185791808 356211511 /nfs/dbraw/zinc/21/15/11/356211511.db2.gz YAAPVPCZOYKFBC-RHSMWYFYSA-N 0 3 314.433 2.356 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000194014895 356233521 /nfs/dbraw/zinc/23/35/21/356233521.db2.gz OEIRIQQKOCSRJG-GOSISDBHSA-N 0 3 315.417 2.498 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CO)CC1 ZINC000293193782 356388795 /nfs/dbraw/zinc/38/87/95/356388795.db2.gz QIJHKRZETJMQNS-AWEZNQCLSA-N 0 3 304.390 2.040 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000404700293 283165078 /nfs/dbraw/zinc/16/50/78/283165078.db2.gz DOHVUNTVPPCRPL-CQSZACIVSA-N 0 3 322.355 2.419 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccccc1C#N ZINC000324738256 356458203 /nfs/dbraw/zinc/45/82/03/356458203.db2.gz MDNUHOMUPOORRU-GOSISDBHSA-N 0 3 321.380 2.302 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC=O)cc2)CC1 ZINC000081355677 192255447 /nfs/dbraw/zinc/25/54/47/192255447.db2.gz WIEKIEXYXIJURR-UHFFFAOYSA-N 0 3 301.390 2.025 20 30 DEEDHN N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3CCC[C@@H]3C2)C1=O ZINC000152707143 283227168 /nfs/dbraw/zinc/22/71/68/283227168.db2.gz SICTYPWQOOUJOO-MJBXVCDLSA-N 0 3 301.415 2.457 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000595656450 358513649 /nfs/dbraw/zinc/51/36/49/358513649.db2.gz RVTIDDCSEFEGLN-HRCADAONSA-N 0 3 304.438 2.339 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1Nc1ccnc2cc(OC)c(OC)cc21 ZINC000579685547 357013935 /nfs/dbraw/zinc/01/39/35/357013935.db2.gz LKOMYXYOAXOTAO-HIFRSBDPSA-N 0 3 300.358 2.429 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000585726610 357348675 /nfs/dbraw/zinc/34/86/75/357348675.db2.gz RIPLRCUJIJETJM-UXLLHSPISA-N 0 3 318.442 2.491 20 30 DEEDHN CCCN(CCN1CCCCCC1)CC(=O)NC1(C#N)CCC1 ZINC000344013596 283256836 /nfs/dbraw/zinc/25/68/36/283256836.db2.gz CMKXIXDZHMZMFE-UHFFFAOYSA-N 0 3 320.481 2.137 20 30 DEEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(CC(N)=O)cc1)CC2 ZINC000589344800 357465413 /nfs/dbraw/zinc/46/54/13/357465413.db2.gz ISWDWNPGPIOEAH-SFHVURJKSA-N 0 3 305.381 2.363 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000590210292 357526534 /nfs/dbraw/zinc/52/65/34/357526534.db2.gz OZRBEGGIWSWLEO-IAGOWNOFSA-N 0 3 304.365 2.107 20 30 DEEDHN N#CC1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000590489462 357550680 /nfs/dbraw/zinc/55/06/80/357550680.db2.gz QFJZTRWDTYKNCA-OAHLLOKOSA-N 0 3 301.365 2.020 20 30 DEEDHN N#CC1(CCN2CCC[C@H](N3CCNC3=O)C2)CCCCC1 ZINC000591014685 357660859 /nfs/dbraw/zinc/66/08/59/357660859.db2.gz CHSYUXAYCCDBQO-HNNXBMFYSA-N 0 3 304.438 2.340 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000591592063 357740480 /nfs/dbraw/zinc/74/04/80/357740480.db2.gz LMRNFDNNIJJINE-ZDUSSCGKSA-N 0 3 313.323 2.385 20 30 DEEDHN CCOC(=O)c1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000591599874 357741900 /nfs/dbraw/zinc/74/19/00/357741900.db2.gz IOPCWLUNPWELAV-ZDUSSCGKSA-N 0 3 323.780 2.476 20 30 DEEDHN CO[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000591629734 357746314 /nfs/dbraw/zinc/74/63/14/357746314.db2.gz MLCVIJDZFHRPGV-KGLIPLIRSA-N 0 3 309.797 2.165 20 30 DEEDHN N#Cc1c2c(cnc1NC1CCN([C@H]3CCOC3)CC1)CCC2 ZINC000591821477 357765857 /nfs/dbraw/zinc/76/58/57/357765857.db2.gz HDKDERWVSNLEFN-HNNXBMFYSA-N 0 3 312.417 2.107 20 30 DEEDHN C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000591869517 357773774 /nfs/dbraw/zinc/77/37/74/357773774.db2.gz SXBAMTROQJJYAN-RRQGHBQHSA-N 0 3 312.417 2.355 20 30 DEEDHN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)C(C#N)CC ZINC000593456335 358083082 /nfs/dbraw/zinc/08/30/82/358083082.db2.gz IATNMDZPHFXQEF-LSDHHAIUSA-N 0 3 302.374 2.169 20 30 DEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000593614991 358111946 /nfs/dbraw/zinc/11/19/46/358111946.db2.gz JUJQEMLMCCJSGY-TVQRCGJNSA-N 0 3 324.764 2.229 20 30 DEEDHN Cn1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000593692740 358124796 /nfs/dbraw/zinc/12/47/96/358124796.db2.gz JCVCSFPAGQYLEK-UHFFFAOYSA-N 0 3 309.417 2.046 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)c1ncc(C#N)cc1Cl ZINC000593884675 358164750 /nfs/dbraw/zinc/16/47/50/358164750.db2.gz WMIQWJYDAPPMTC-UHFFFAOYSA-N 0 3 306.797 2.165 20 30 DEEDHN Cn1cc(CN[C@@H]2C[C@H](O)C2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180448729 199160316 /nfs/dbraw/zinc/16/03/16/199160316.db2.gz XXAVEUBEAMWSOV-CVEARBPZSA-N 0 3 310.401 2.208 20 30 DEEDHN N#Cc1cc2c(nc1N[C@@H]1CCCN3CCCC[C@@H]13)CCOC2 ZINC000594597928 358301894 /nfs/dbraw/zinc/30/18/94/358301894.db2.gz FBUKEDYFAJJRJK-SJORKVTESA-N 0 3 312.417 2.455 20 30 DEEDHN N#Cc1csc(CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000594616748 358307279 /nfs/dbraw/zinc/30/72/79/358307279.db2.gz IIYJKJVGASOJPO-OAHLLOKOSA-N 0 3 305.447 2.306 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000595658693 358514268 /nfs/dbraw/zinc/51/42/68/358514268.db2.gz HMRBHEMEHVJHOB-OAHLLOKOSA-N 0 3 322.449 2.076 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NC(=O)NCc2cccs2)C1 ZINC000595661058 358514918 /nfs/dbraw/zinc/51/49/18/358514918.db2.gz XCESOXIKOHGBOY-CYBMUJFWSA-N 0 3 321.446 2.362 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)CC1=CCCOC1 ZINC000595754602 358542216 /nfs/dbraw/zinc/54/22/16/358542216.db2.gz YUVQSRSBRWSGDP-UHFFFAOYSA-N 0 3 302.374 2.224 20 30 DEEDHN C=CCN(CC(=O)NC(=O)NCc1cccs1)C(C)(C)C ZINC000595763953 358543701 /nfs/dbraw/zinc/54/37/01/358543701.db2.gz SULHHAUVLBECDT-UHFFFAOYSA-N 0 3 309.435 2.360 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CN1C1CC1 ZINC000618822193 363612677 /nfs/dbraw/zinc/61/26/77/363612677.db2.gz VCQISAMLFWHAFN-DWQUBVKVSA-N 0 3 324.428 2.470 20 30 DEEDHN N#Cc1c(Cl)cccc1N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000596014600 358593875 /nfs/dbraw/zinc/59/38/75/358593875.db2.gz RQBGIFYJGLDZBA-GFCCVEGCSA-N 0 3 316.796 2.103 20 30 DEEDHN CO[C@H](CNCc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000597231678 358862994 /nfs/dbraw/zinc/86/29/94/358862994.db2.gz OJWBHNAHMHHPFX-MRXNPFEDSA-N 0 3 313.405 2.286 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCc2cc(NC(=O)[C@H](C)C#N)ccc21 ZINC000598323432 359161311 /nfs/dbraw/zinc/16/13/11/359161311.db2.gz RKAINPMVVGRHHR-ZETOZRRWSA-N 0 3 310.357 2.048 20 30 DEEDHN CCN(C[C@H](O)CC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000598584435 359249867 /nfs/dbraw/zinc/24/98/67/359249867.db2.gz LYUPDFNVDGZSKH-CABCVRRESA-N 0 3 318.417 2.449 20 30 DEEDHN COc1ccc([C@@H](CCO)NC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598600213 359256830 /nfs/dbraw/zinc/25/68/30/359256830.db2.gz IIHWWWWWGSHCJO-GDBMZVCRSA-N 0 3 306.406 2.009 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccnc1OCC(F)F ZINC000598725770 359306495 /nfs/dbraw/zinc/30/64/95/359306495.db2.gz PFAGPWGWYGDJGT-GFCCVEGCSA-N 0 3 313.348 2.116 20 30 DEEDHN COC[C@@H](Cc1ccccc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598614002 359260199 /nfs/dbraw/zinc/26/01/99/359260199.db2.gz AKMSVZFCGYUVEP-IAGOWNOFSA-N 0 3 304.434 2.477 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000667597217 540483919 /nfs/dbraw/zinc/48/39/19/540483919.db2.gz GLLASACFRARMOR-MRXNPFEDSA-N 0 3 308.447 2.013 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](n2cccn2)C1 ZINC000428555274 237188825 /nfs/dbraw/zinc/18/88/25/237188825.db2.gz AKDDYKLREXZJIZ-DLBZAZTESA-N 0 3 308.385 2.429 20 30 DEEDHN C=C(C)[C@@H](NCCCN1C(=O)CNC1=O)c1ccc(F)c(F)c1 ZINC000187793052 200157507 /nfs/dbraw/zinc/15/75/07/200157507.db2.gz OFRVCXLOKDUKAN-OAHLLOKOSA-N 0 3 323.343 2.114 20 30 DEEDHN CC(C)CC[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600308043 359718862 /nfs/dbraw/zinc/71/88/62/359718862.db2.gz JFQSPJFWJKTNAC-IRXDYDNUSA-N 0 3 313.401 2.154 20 30 DEEDHN Cc1ccc(CN2CC[C@H](NC(=O)NCCCC#N)C2)cc1 ZINC000601593493 360081657 /nfs/dbraw/zinc/08/16/57/360081657.db2.gz QQBPCFOTJMIRRE-INIZCTEOSA-N 0 3 300.406 2.172 20 30 DEEDHN COc1cc(CN(C)C)ccc1NC(=O)C1(C#N)CCOCC1 ZINC000601622701 360091008 /nfs/dbraw/zinc/09/10/08/360091008.db2.gz TUDIAGHXZUXRNR-UHFFFAOYSA-N 0 3 317.389 2.016 20 30 DEEDHN CC1(C)CN(C[C@H](O)COc2ccccc2C#N)[C@@H]1C1CC1 ZINC000601956132 360208932 /nfs/dbraw/zinc/20/89/32/360208932.db2.gz FBCDAPZSIVLWHK-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(N(C)C)n1 ZINC000602581757 360443111 /nfs/dbraw/zinc/44/31/11/360443111.db2.gz JLTPXPJLSSXQAH-CQSZACIVSA-N 0 3 302.422 2.336 20 30 DEEDHN COc1ccccc1N1CC[C@@H](NC[C@@H](C)CCC#N)C1=O ZINC000602567067 360435572 /nfs/dbraw/zinc/43/55/72/360435572.db2.gz HGMIASQVQVMXKH-UONOGXRCSA-N 0 3 301.390 2.330 20 30 DEEDHN CCOC(=O)c1nnc(C2CC[NH+](C[C@H](C)CCC#N)CC2)[n-]1 ZINC000602638525 360471291 /nfs/dbraw/zinc/47/12/91/360471291.db2.gz VBIKVSSRYZRXNE-GFCCVEGCSA-N 0 3 319.409 2.101 20 30 DEEDHN CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@H](C)CCC#N)CC2)n1 ZINC000602638525 360471294 /nfs/dbraw/zinc/47/12/94/360471294.db2.gz VBIKVSSRYZRXNE-GFCCVEGCSA-N 0 3 319.409 2.101 20 30 DEEDHN COC(=O)[C@@](C)(CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602629143 360465686 /nfs/dbraw/zinc/46/56/86/360465686.db2.gz JDVSHOOUAUAJOM-SFHVURJKSA-N 0 3 309.369 2.174 20 30 DEEDHN COc1ccccc1C[C@@](C)(CO)NCc1cccc(C#N)n1 ZINC000602744155 360531728 /nfs/dbraw/zinc/53/17/28/360531728.db2.gz YHZXYOFRSUQLDV-SFHVURJKSA-N 0 3 311.385 2.045 20 30 DEEDHN C[C@@H]1OCC[C@H]1CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000602802791 360562175 /nfs/dbraw/zinc/56/21/75/360562175.db2.gz UYCBQVLBPMRIHV-ZVZYQTTQSA-N 0 3 317.408 2.433 20 30 DEEDHN Cc1occc1C(=O)NC1CCN(CC2(CC#N)CC2)CC1 ZINC000602772434 360544726 /nfs/dbraw/zinc/54/47/26/360544726.db2.gz JFXYWPFTAVJHPH-UHFFFAOYSA-N 0 3 301.390 2.476 20 30 DEEDHN C=C[C@H](O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000668986400 540762738 /nfs/dbraw/zinc/76/27/38/540762738.db2.gz GLGGBHWALSEUGT-UAGQMJEPSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603079469 360691941 /nfs/dbraw/zinc/69/19/41/360691941.db2.gz UOAJORASPMAKRV-UHFFFAOYSA-N 0 3 302.353 2.469 20 30 DEEDHN CC(C)(C#N)C[C@H](O)Cn1cc(CNC2CCCCC2)nn1 ZINC000603266240 360771046 /nfs/dbraw/zinc/77/10/46/360771046.db2.gz DZPLYDODSVDTJB-HNNXBMFYSA-N 0 3 305.426 2.001 20 30 DEEDHN C#CCCN1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000272016607 209388592 /nfs/dbraw/zinc/38/85/92/209388592.db2.gz LRZTUYVNHIBTEF-UHFFFAOYSA-N 0 3 319.836 2.310 20 30 DEEDHN CN1CC[C@@]2(CCN(c3c(C#N)cnn3-c3ccccc3)C2)C1 ZINC000603386136 360812856 /nfs/dbraw/zinc/81/28/56/360812856.db2.gz HENBOVAMZHUSAJ-GOSISDBHSA-N 0 3 307.401 2.276 20 30 DEEDHN Cc1nsc(NC2CCN(C3CCOCC3)CC2)c1C#N ZINC000603409457 360822554 /nfs/dbraw/zinc/82/25/54/360822554.db2.gz YFRCGCQUMWIIJX-UHFFFAOYSA-N 0 3 306.435 2.379 20 30 DEEDHN C=CCOCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000673010881 541082069 /nfs/dbraw/zinc/08/20/69/541082069.db2.gz DAKRDIBPALJDQC-WBVHZDCISA-N 0 3 319.449 2.488 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)[C@H]1C ZINC001088853126 781945971 /nfs/dbraw/zinc/94/59/71/781945971.db2.gz OINQSPDRUAVJPE-APWZRJJASA-N 0 3 323.440 2.279 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000611205211 361548960 /nfs/dbraw/zinc/54/89/60/361548960.db2.gz NXIRUHXOJOOZFD-ZIAGYGMSSA-N 0 3 301.390 2.244 20 30 DEEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000611376853 361588210 /nfs/dbraw/zinc/58/82/10/361588210.db2.gz CWLYFLPJDIPLBJ-ZDUSSCGKSA-N 0 3 304.357 2.385 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](O)COCC1CC1 ZINC000611392200 361589118 /nfs/dbraw/zinc/58/91/18/361589118.db2.gz JVMQMSLHCAOKDE-FUHWJXTLSA-N 0 3 300.402 2.313 20 30 DEEDHN C=C[C@H](CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000673513723 541116639 /nfs/dbraw/zinc/11/66/39/541116639.db2.gz OFDKYVOVRBBPMK-KBAYOESNSA-N 0 3 314.429 2.014 20 30 DEEDHN Cc1cc(C)c(C#N)c(NCCN2CCN(C)C(C)(C)C2)n1 ZINC000281547124 216374455 /nfs/dbraw/zinc/37/44/55/216374455.db2.gz BTKCXBSMHGXJFX-UHFFFAOYSA-N 0 3 301.438 2.008 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611705018 361661204 /nfs/dbraw/zinc/66/12/04/361661204.db2.gz QZCKMTQLCLKGKW-IEBWSBKVSA-N 0 3 316.445 2.294 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619826489 363881057 /nfs/dbraw/zinc/88/10/57/363881057.db2.gz ZAHIIPBZIUJOPJ-UHFFFAOYSA-N 0 3 320.824 2.447 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(N(C)C)CCC1 ZINC000275522187 212393261 /nfs/dbraw/zinc/39/32/61/212393261.db2.gz VKEIZKUZBWKKND-UHFFFAOYSA-N 0 3 317.408 2.455 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)C2CCCC2)cc1 ZINC000628991931 367039497 /nfs/dbraw/zinc/03/94/97/367039497.db2.gz RFLINNNFCUQVSH-MRXNPFEDSA-N 0 3 309.369 2.116 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000450635503 242043844 /nfs/dbraw/zinc/04/38/44/242043844.db2.gz KGBVLUVEKXBHPY-SCLBCKFNSA-N 0 3 322.412 2.445 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000630944408 367925588 /nfs/dbraw/zinc/92/55/88/367925588.db2.gz YCMCPWXVRBVEAS-UHFFFAOYSA-N 0 3 304.438 2.478 20 30 DEEDHN C=CCC[C@H](NCC(=O)N(C)CC(=O)OCC)c1ccccc1 ZINC000271752804 209182062 /nfs/dbraw/zinc/18/20/62/209182062.db2.gz TWXLOCPZYKYOQT-INIZCTEOSA-N 0 3 318.417 2.305 20 30 DEEDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000451603934 243188160 /nfs/dbraw/zinc/18/81/60/243188160.db2.gz XYUVSVZXQZBPBB-HIFRSBDPSA-N 0 3 323.462 2.437 20 30 DEEDHN N#Cc1csc(CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000093018118 193195291 /nfs/dbraw/zinc/19/52/91/193195291.db2.gz VCOGSKQBWZMSHU-AWEZNQCLSA-N 0 3 305.447 2.164 20 30 DEEDHN C=CC[C@H](C(=O)NCCCN(C)CCOC)c1ccccc1 ZINC000275096897 212117699 /nfs/dbraw/zinc/11/76/99/212117699.db2.gz DMEHFDWAXXWLPI-KRWDZBQOSA-N 0 3 304.434 2.431 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1OC ZINC000262734579 203395433 /nfs/dbraw/zinc/39/54/33/203395433.db2.gz IKXQAJSFQIVRDV-STQMWFEESA-N 0 3 304.390 2.082 20 30 DEEDHN C=CCOc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1OC ZINC000453586820 245195982 /nfs/dbraw/zinc/19/59/82/245195982.db2.gz IYRFPCWVZLTDQI-QGZVFWFLSA-N 0 3 304.390 2.018 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)NCCN(C)C1CC1 ZINC000264899063 204251324 /nfs/dbraw/zinc/25/13/24/204251324.db2.gz UMWCMHQXPZIPAY-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCn1ccnc1)C(C)C ZINC000264924053 204273526 /nfs/dbraw/zinc/27/35/26/204273526.db2.gz KZJCFCLOAXKCBE-INIZCTEOSA-N 0 3 304.438 2.088 20 30 DEEDHN C=CCOCCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000679631137 541884847 /nfs/dbraw/zinc/88/48/47/541884847.db2.gz XPHDBADVRRWCGC-UHFFFAOYSA-N 0 3 311.451 2.024 20 30 DEEDHN N#CC(C(=O)c1coc(C(N)=O)c1)c1ccc2ccccc2n1 ZINC000680617597 542031729 /nfs/dbraw/zinc/03/17/29/542031729.db2.gz WXAKNKIPJSBOQN-LBPRGKRZSA-N 0 3 305.293 2.417 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000458057276 248131472 /nfs/dbraw/zinc/13/14/72/248131472.db2.gz YGOKZNJPKKKKIA-IAGOWNOFSA-N 0 3 319.449 2.224 20 30 DEEDHN CC(C#N)C(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000492675858 249114634 /nfs/dbraw/zinc/11/46/34/249114634.db2.gz ROAGJSNGIRJUKO-SUMWQHHRSA-N 0 3 315.373 2.063 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000493628244 249345104 /nfs/dbraw/zinc/34/51/04/249345104.db2.gz GNLQZVMXRPRUQR-JHJVBQTASA-N 0 3 309.410 2.298 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(C(F)F)CC1 ZINC000307884196 291691923 /nfs/dbraw/zinc/69/19/23/291691923.db2.gz ZNFMUKMONVNRHK-CQSZACIVSA-N 0 3 310.344 2.275 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000274134045 211386226 /nfs/dbraw/zinc/38/62/26/211386226.db2.gz PXBBTBKTCIVAPU-GOSISDBHSA-N 0 3 311.429 2.458 20 30 DEEDHN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1 ZINC000274057101 211313583 /nfs/dbraw/zinc/31/35/83/211313583.db2.gz PWXNDKMLYYJELO-JQWIXIFHSA-N 0 3 307.781 2.165 20 30 DEEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000273993361 211251087 /nfs/dbraw/zinc/25/10/87/211251087.db2.gz JWZNZAKQXQZGAS-UPJWGTAASA-N 0 3 317.389 2.063 20 30 DEEDHN CCn1cc(CCN(CCOC)Cc2ccc(C#N)cc2)cn1 ZINC000284826304 218195157 /nfs/dbraw/zinc/19/51/57/218195157.db2.gz AWYHVNRUALSFFE-UHFFFAOYSA-N 0 3 312.417 2.466 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2c(C)noc2Cl)CC1 ZINC000106035384 194180666 /nfs/dbraw/zinc/18/06/66/194180666.db2.gz NPXLKVNPYQNQLY-UHFFFAOYSA-N 0 3 311.813 2.336 20 30 DEEDHN O=CN1CCC(NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000278663253 285028105 /nfs/dbraw/zinc/02/81/05/285028105.db2.gz IVPSYLLYXNELJN-UHFFFAOYSA-N 0 3 310.319 2.267 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2nc3ccccc3o2)CC1 ZINC000493348679 533046797 /nfs/dbraw/zinc/04/67/97/533046797.db2.gz GNFLAZDKUNXYBL-CMDGGOBGSA-N 0 3 323.396 2.445 20 30 DEEDHN C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)N(C)C ZINC000331332166 533104665 /nfs/dbraw/zinc/10/46/65/533104665.db2.gz HVTKIDILOVKTAU-CQSZACIVSA-N 0 3 317.433 2.454 20 30 DEEDHN C[C@@H](NC(=O)[C@H]1CCO[C@H]1C)C(=O)NCCN1CCCCC1 ZINC000329026138 533108014 /nfs/dbraw/zinc/10/80/14/533108014.db2.gz VNBVVNTXLWQVRS-RDBSUJKOSA-N 0 3 311.426 2.199 20 30 DEEDHN CC(C)(O)CN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000158188537 197250901 /nfs/dbraw/zinc/25/09/01/197250901.db2.gz PWBYPORWFAKNTN-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NC[C@@H]3CCCOC3)C2=O)cc1 ZINC000541871098 285192988 /nfs/dbraw/zinc/19/29/88/285192988.db2.gz GFADGJDZSMYZDS-DOTOQJQBSA-N 0 3 313.401 2.070 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(c3cccc(F)c3)CC2)CC1 ZINC000156577584 197124956 /nfs/dbraw/zinc/12/49/56/197124956.db2.gz HLHQQOLVHJLFNB-UHFFFAOYSA-N 0 3 300.377 2.276 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)C1CCN(CC#C)CC1 ZINC000156521715 197120296 /nfs/dbraw/zinc/12/02/96/197120296.db2.gz JEXNKTISKIUGGJ-UHFFFAOYSA-N 0 3 314.360 2.121 20 30 DEEDHN CN(CC1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000156162751 197090142 /nfs/dbraw/zinc/09/01/42/197090142.db2.gz PXLGSSPVWHJXMH-KRWDZBQOSA-N 0 3 313.401 2.022 20 30 DEEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C2(C#N)CCC2)CC1 ZINC000155536089 197064039 /nfs/dbraw/zinc/06/40/39/197064039.db2.gz TZKHMCGGHPYZEO-CQSZACIVSA-N 0 3 312.417 2.417 20 30 DEEDHN COCCCOCCN(C)CCCOc1cccc(C#N)c1 ZINC000271589290 209038949 /nfs/dbraw/zinc/03/89/49/209038949.db2.gz RFEDSQSBEUTZFA-UHFFFAOYSA-N 0 3 306.406 2.312 20 30 DEEDHN C=C(Cl)CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000271608146 209055022 /nfs/dbraw/zinc/05/50/22/209055022.db2.gz ZMHYLQLODJWXNO-UHFFFAOYSA-N 0 3 308.813 2.350 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCC1(F)F ZINC000289684487 221152558 /nfs/dbraw/zinc/15/25/58/221152558.db2.gz GOXLZUHUWQIIIP-TZMCWYRMSA-N 0 3 310.344 2.275 20 30 DEEDHN CC[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289995014 221367994 /nfs/dbraw/zinc/36/79/94/221367994.db2.gz RJYHJWOVTXTCGO-GJZGRUSLSA-N 0 3 321.446 2.285 20 30 DEEDHN C#C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)C(C)(C)C ZINC000491145582 533268722 /nfs/dbraw/zinc/26/87/22/533268722.db2.gz LHQFQCIJQBOIJY-OAHLLOKOSA-N 0 3 308.447 2.074 20 30 DEEDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(OCC#N)cc1 ZINC000193920234 533498166 /nfs/dbraw/zinc/49/81/66/533498166.db2.gz ZIQYWJHCJJALKY-UONOGXRCSA-N 0 3 301.390 2.250 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CC)CN1CCCC1 ZINC000684808480 542667377 /nfs/dbraw/zinc/66/73/77/542667377.db2.gz VNSCVNPLPRXBAB-OAGGEKHMSA-N 0 3 309.454 2.141 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1c(F)cccc1C#N ZINC000356268635 133075764 /nfs/dbraw/zinc/07/57/64/133075764.db2.gz DUCBOZMUJZNCLA-DZGCQCFKSA-N 0 3 315.392 2.325 20 30 DEEDHN CSC1(CNC(=O)c2cc(C#N)cs2)CCN(C)CC1 ZINC000358133876 133123612 /nfs/dbraw/zinc/12/36/12/133123612.db2.gz RKLYKWIRWYVNQS-UHFFFAOYSA-N 0 3 309.460 2.177 20 30 DEEDHN CC[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)N(CC)CC ZINC000359832498 133147832 /nfs/dbraw/zinc/14/78/32/133147832.db2.gz MGSSMAZMDAFZDO-KRWDZBQOSA-N 0 3 315.417 2.268 20 30 DEEDHN N#Cc1nccnc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000368133215 133262028 /nfs/dbraw/zinc/26/20/28/133262028.db2.gz UEGWHIXXUBXKJB-DLBZAZTESA-N 0 3 319.412 2.307 20 30 DEEDHN CS[C@H]1CCCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000372730257 133363784 /nfs/dbraw/zinc/36/37/84/133363784.db2.gz OSEAEKNDBUWSNQ-INIZCTEOSA-N 0 3 317.458 2.392 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000373532166 133394080 /nfs/dbraw/zinc/39/40/80/133394080.db2.gz WPJRKCBOMNATSD-ZWKOTPCHSA-N 0 3 300.402 2.483 20 30 DEEDHN CN(C)CCN(CCOc1ccc(C#N)cc1)Cc1ccccn1 ZINC000563361268 292049670 /nfs/dbraw/zinc/04/96/70/292049670.db2.gz GDXVNMDFPDSNCY-UHFFFAOYSA-N 0 3 324.428 2.396 20 30 DEEDHN C[C@]12CN(Cc3cnc4c(C#N)cnn4c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000564986628 292125024 /nfs/dbraw/zinc/12/50/24/292125024.db2.gz UGKKKFUYNCZVQT-GRZALLJUSA-N 0 3 307.401 2.469 20 30 DEEDHN COCC(C)(C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192569097 145074909 /nfs/dbraw/zinc/07/49/09/145074909.db2.gz GQSBLXJVGVOFJU-OAHLLOKOSA-N 0 3 301.390 2.068 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000249070133 145177198 /nfs/dbraw/zinc/17/71/98/145177198.db2.gz KVAQHABZLCSBIV-XJKSGUPXSA-N 0 3 302.374 2.068 20 30 DEEDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(C#N)cc1 ZINC000319989581 145373792 /nfs/dbraw/zinc/37/37/92/145373792.db2.gz YGUITGZSVNEKAW-SUMWQHHRSA-N 0 3 310.401 2.475 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348145350 146223533 /nfs/dbraw/zinc/22/35/33/146223533.db2.gz KZSWGGWSHUJBNG-WCQYABFASA-N 0 3 305.378 2.111 20 30 DEEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348145350 146223535 /nfs/dbraw/zinc/22/35/35/146223535.db2.gz KZSWGGWSHUJBNG-WCQYABFASA-N 0 3 305.378 2.111 20 30 DEEDHN COC(=O)c1ccc(NC[C@H](C)N2CCCC[C@H]2C)c(C#N)n1 ZINC000565315329 292154630 /nfs/dbraw/zinc/15/46/30/292154630.db2.gz UCOPGRFXFOLMOI-OLZOCXBDSA-N 0 3 316.405 2.415 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN(CC)C1CC1 ZINC000127016732 401716735 /nfs/dbraw/zinc/71/67/35/401716735.db2.gz MBSCQYFOMSPLAT-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000076806485 401800087 /nfs/dbraw/zinc/80/00/87/401800087.db2.gz CXANZIXIJDKJBF-INIZCTEOSA-N 0 3 317.408 2.452 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](N(C)C)C2)c(C#N)c1C ZINC000112601229 401750186 /nfs/dbraw/zinc/75/01/86/401750186.db2.gz DPWRGSSDRQSHSM-OCCSQVGLSA-N 0 3 318.421 2.121 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(C)nc1C)C(C)C ZINC000113185491 401769430 /nfs/dbraw/zinc/76/94/30/401769430.db2.gz PSXHRMGMLXUQSG-MRXNPFEDSA-N 0 3 304.438 2.157 20 30 DEEDHN CC(C)(CNC(=O)COc1ccccc1C#N)N1CCCCC1 ZINC000041297614 401928558 /nfs/dbraw/zinc/92/85/58/401928558.db2.gz NIAKGHOJPNYQQA-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C[C@H]1CCCCN1CCCNS(=O)(=O)c1cccc(C#N)c1 ZINC000033713453 401891801 /nfs/dbraw/zinc/89/18/01/401891801.db2.gz OACUNYUEZNYHDJ-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN C#CCCCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093136645 402012231 /nfs/dbraw/zinc/01/22/31/402012231.db2.gz YJZNQUZDINXLEK-UHFFFAOYSA-N 0 3 314.433 2.401 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000051410711 402034131 /nfs/dbraw/zinc/03/41/31/402034131.db2.gz UGSXEAYGEWDPIT-UHFFFAOYSA-N 0 3 322.412 2.038 20 30 DEEDHN C#CCOc1ccccc1CN1CC[C@H](OCCOCC)C1 ZINC000092067508 402001781 /nfs/dbraw/zinc/00/17/81/402001781.db2.gz HMNRSNFMFFBIKY-KRWDZBQOSA-N 0 3 303.402 2.326 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](C(=O)NCCC)C2)cc1 ZINC000092734167 402008291 /nfs/dbraw/zinc/00/82/91/402008291.db2.gz TWYXTSXWCQYSLO-KRWDZBQOSA-N 0 3 314.429 2.437 20 30 DEEDHN C#CCOCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000152151821 402078129 /nfs/dbraw/zinc/07/81/29/402078129.db2.gz HGWURJZYQFNANK-MRXNPFEDSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(C)CC1 ZINC000063400314 402113097 /nfs/dbraw/zinc/11/30/97/402113097.db2.gz SWZLZDOHCYYSME-UHFFFAOYSA-N 0 3 312.417 2.350 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)nc(C(C)C)n2)CC1 ZINC000123217242 402116367 /nfs/dbraw/zinc/11/63/67/402116367.db2.gz APQWGYXGWDBWOK-UHFFFAOYSA-N 0 3 300.406 2.192 20 30 DEEDHN CO[C@](C)([C@@H](C)NCC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000411938858 286149121 /nfs/dbraw/zinc/14/91/21/286149121.db2.gz FAXSGMWOSGBOOZ-RHSMWYFYSA-N 0 3 321.465 2.464 20 30 DEEDHN CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000054174592 402063880 /nfs/dbraw/zinc/06/38/80/402063880.db2.gz YCWZHSNPRPHPGE-UHFFFAOYSA-N 0 3 318.380 2.469 20 30 DEEDHN C#CCN1CCC(C(=O)NCCSc2ccccc2)CC1 ZINC000108710189 402260022 /nfs/dbraw/zinc/26/00/22/402260022.db2.gz MXMZGSKCXISVAN-UHFFFAOYSA-N 0 3 302.443 2.240 20 30 DEEDHN C=C(C)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000156587448 402285461 /nfs/dbraw/zinc/28/54/61/402285461.db2.gz QZKFZPJIUREGGA-GJZGRUSLSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000176301542 402297784 /nfs/dbraw/zinc/29/77/84/402297784.db2.gz FBBVMEUZRXPVDW-UHFFFAOYSA-N 0 3 305.328 2.217 20 30 DEEDHN Cc1cccc(OC[C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176955175 402354256 /nfs/dbraw/zinc/35/42/56/402354256.db2.gz LHIJZNDYSWPBCH-ZDUSSCGKSA-N 0 3 302.399 2.458 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185643929 402366997 /nfs/dbraw/zinc/36/69/97/402366997.db2.gz QWXHALYNNVCUMT-YCPHGPKFSA-N 0 3 315.417 2.149 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000176730676 402331463 /nfs/dbraw/zinc/33/14/63/402331463.db2.gz BILXOQCSMSSRMJ-ROUUACIJSA-N 0 3 311.429 2.495 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000177360376 402394564 /nfs/dbraw/zinc/39/45/64/402394564.db2.gz UINSETOPCPGUMP-QZTJIDSGSA-N 0 3 311.429 2.495 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1[C@@H](C)CCC[C@H]1CO ZINC000162353970 402417035 /nfs/dbraw/zinc/41/70/35/402417035.db2.gz UOWBSMJWSHZASF-ZFWWWQNUSA-N 0 3 304.390 2.181 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000177718424 402430033 /nfs/dbraw/zinc/43/00/33/402430033.db2.gz QBQWALUBFANFRR-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1C#N ZINC000177817723 402439127 /nfs/dbraw/zinc/43/91/27/402439127.db2.gz SOBDKXMBHOTKNX-CVEARBPZSA-N 0 3 313.401 2.022 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCOC(C)(C)C2)CC1 ZINC000163366085 402448113 /nfs/dbraw/zinc/44/81/13/402448113.db2.gz DAYINFZMLCUWHJ-HNNXBMFYSA-N 0 3 309.454 2.284 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171630588 402603371 /nfs/dbraw/zinc/60/33/71/402603371.db2.gz TURYQROOEWFAKH-OAHLLOKOSA-N 0 3 323.400 2.490 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCCOc2ccccc2)CC1 ZINC000171704797 402612708 /nfs/dbraw/zinc/61/27/08/402612708.db2.gz UCZRVWBDZQLHEI-UHFFFAOYSA-N 0 3 317.433 2.405 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)OC)c2)CC1 ZINC000171715038 402613959 /nfs/dbraw/zinc/61/39/59/402613959.db2.gz MKAYADDHUIRPNK-UHFFFAOYSA-N 0 3 317.389 2.245 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccc(OCC)cc2)CC1 ZINC000171725529 402615161 /nfs/dbraw/zinc/61/51/61/402615161.db2.gz YELZWSBACNPDMF-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)c1nnc2n1CCCCC2 ZINC000180506584 402618693 /nfs/dbraw/zinc/61/86/93/402618693.db2.gz XAZPBTGTWWMGMW-ZDUSSCGKSA-N 0 3 301.394 2.061 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccnc(C)n1)C(C)C ZINC000171314429 402577486 /nfs/dbraw/zinc/57/74/86/402577486.db2.gz QLNFZJRSAPKKLZ-INIZCTEOSA-N 0 3 302.422 2.213 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181048891 402633803 /nfs/dbraw/zinc/63/38/03/402633803.db2.gz LDPQJMMIYGAQRG-GQCTYLIASA-N 0 3 316.401 2.268 20 30 DEEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCC#N)C1(CC)CC ZINC000424148414 286242945 /nfs/dbraw/zinc/24/29/45/286242945.db2.gz FJDIMGXQCIBWKQ-RBSFLKMASA-N 0 3 309.454 2.450 20 30 DEEDHN CCN1CCN(c2ccc(N[C@H](C#N)COC)c(C)c2)CC1 ZINC000181326468 402641599 /nfs/dbraw/zinc/64/15/99/402641599.db2.gz RSWPOWZTQHDXOM-OAHLLOKOSA-N 0 3 302.422 2.087 20 30 DEEDHN CC[C@@H](NCC(=O)N(CC)CCC#N)c1ccc(OC)cc1 ZINC000181805026 402657597 /nfs/dbraw/zinc/65/75/97/402657597.db2.gz YUJZVCIHLPBHMI-MRXNPFEDSA-N 0 3 303.406 2.498 20 30 DEEDHN N#Cc1ccccc1OCCN1CCOCC2(CCOCC2)C1 ZINC000184126923 402820661 /nfs/dbraw/zinc/82/06/61/402820661.db2.gz NGGFPFPSYMDIRU-UHFFFAOYSA-N 0 3 316.401 2.066 20 30 DEEDHN N#CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000278064330 402852243 /nfs/dbraw/zinc/85/22/43/402852243.db2.gz WPZRDHRFFWXAMS-HNNXBMFYSA-N 0 3 313.401 2.336 20 30 DEEDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)N(C)C1CC1 ZINC000264209287 402857899 /nfs/dbraw/zinc/85/78/99/402857899.db2.gz GRMYHZBCVLDNFY-OLZOCXBDSA-N 0 3 300.406 2.401 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000329912613 404493341 /nfs/dbraw/zinc/49/33/41/404493341.db2.gz OJJQMCMVBUQQQH-OKZBNKHCSA-N 0 3 323.396 2.126 20 30 DEEDHN C#CCOc1ccccc1CN[C@H](C)CC(=O)N(CC)CC ZINC000271423197 402869548 /nfs/dbraw/zinc/86/95/48/402869548.db2.gz CCPQTCMLEQXDGK-OAHLLOKOSA-N 0 3 302.418 2.435 20 30 DEEDHN C#CCOc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271452009 402872744 /nfs/dbraw/zinc/87/27/44/402872744.db2.gz RWZWNYMMGWTKGJ-QGZVFWFLSA-N 0 3 301.386 2.474 20 30 DEEDHN CCOc1ccnc(N2CCCN(CCC(C)(C)C#N)CC2)n1 ZINC000272022212 402888384 /nfs/dbraw/zinc/88/83/84/402888384.db2.gz NHPBHEURIIFKIN-UHFFFAOYSA-N 0 3 317.437 2.327 20 30 DEEDHN CO[C@H](C)[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272505301 402945286 /nfs/dbraw/zinc/94/52/86/402945286.db2.gz FGZKMUKQGOZBGO-IOASZLSFSA-N 0 3 301.390 2.067 20 30 DEEDHN C#CC[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000272543107 402951091 /nfs/dbraw/zinc/95/10/91/402951091.db2.gz HHBAHEQLJVRVJH-FGTMMUONSA-N 0 3 311.429 2.487 20 30 DEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCCCO ZINC000279727006 402961226 /nfs/dbraw/zinc/96/12/26/402961226.db2.gz MRVVBWGXUGOSSS-MRXNPFEDSA-N 0 3 317.433 2.416 20 30 DEEDHN CCOC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000279846308 402963806 /nfs/dbraw/zinc/96/38/06/402963806.db2.gz AOMMHOLBTVNVBT-IRXDYDNUSA-N 0 3 313.401 2.418 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000265941314 402964160 /nfs/dbraw/zinc/96/41/60/402964160.db2.gz HVZFLWFEEMOVLP-ZQIUZPCESA-N 0 3 315.417 2.124 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCCO1 ZINC000279910259 402964998 /nfs/dbraw/zinc/96/49/98/402964998.db2.gz DWPUQEDJCLKVAY-RRQGHBQHSA-N 0 3 311.385 2.314 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCCO1 ZINC000279910252 402965388 /nfs/dbraw/zinc/96/53/88/402965388.db2.gz DWPUQEDJCLKVAY-IAOVAPTHSA-N 0 3 311.385 2.314 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@@H]2CCCN2C1=O)C(C)C ZINC000272261744 402915967 /nfs/dbraw/zinc/91/59/67/402915967.db2.gz MHBVZLFVLCBKDU-LSDHHAIUSA-N 0 3 305.422 2.112 20 30 DEEDHN Cn1cc(CN2CCCN(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272291210 402919356 /nfs/dbraw/zinc/91/93/56/402919356.db2.gz OBHDDRHSUZKJRJ-UHFFFAOYSA-N 0 3 309.417 2.096 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000279276814 402925520 /nfs/dbraw/zinc/92/55/20/402925520.db2.gz WDCCIJCKTIIZQK-QGZVFWFLSA-N 0 3 308.397 2.043 20 30 DEEDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279370136 402935612 /nfs/dbraw/zinc/93/56/12/402935612.db2.gz XBVBXASLZGNEDI-CZUORRHYSA-N 0 3 323.400 2.461 20 30 DEEDHN CCOCCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279377483 402936081 /nfs/dbraw/zinc/93/60/81/402936081.db2.gz JTMQGZSJTKVRSY-UHFFFAOYSA-N 0 3 313.405 2.327 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2ncc[nH]2)CC1 ZINC000266754770 402988736 /nfs/dbraw/zinc/98/87/36/402988736.db2.gz OWYWFSAVNXBTCT-CQSZACIVSA-N 0 3 304.438 2.402 20 30 DEEDHN Cc1cc[nH]c1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000280494811 403005743 /nfs/dbraw/zinc/00/57/43/403005743.db2.gz BZQYNYXHBRGXOX-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN Cc1n[nH]cc1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280170352 402971714 /nfs/dbraw/zinc/97/17/14/402971714.db2.gz BZJSYKCVHMAMHK-KRWDZBQOSA-N 0 3 321.384 2.021 20 30 DEEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCOCC1 ZINC000280202430 402974568 /nfs/dbraw/zinc/97/45/68/402974568.db2.gz URSREFCWZUSNKF-MRXNPFEDSA-N 0 3 311.385 2.173 20 30 DEEDHN CO[C@]1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000280237165 402978503 /nfs/dbraw/zinc/97/85/03/402978503.db2.gz ARJHXOUAXDRWIA-GOSISDBHSA-N 0 3 315.417 2.065 20 30 DEEDHN CN(CCOc1ccccc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000280260781 402981096 /nfs/dbraw/zinc/98/10/96/402981096.db2.gz CEDFDQDABWUGRZ-QGZVFWFLSA-N 0 3 323.396 2.486 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000274210644 403035529 /nfs/dbraw/zinc/03/55/29/403035529.db2.gz NLEDXWXYJTVPIK-VYDXJSESSA-N 0 3 314.433 2.308 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000268153788 403055233 /nfs/dbraw/zinc/05/52/33/403055233.db2.gz NFRZFNCZFRPOBH-GUYCJALGSA-N 0 3 312.417 2.182 20 30 DEEDHN CCC(CC)[C@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281492444 403069890 /nfs/dbraw/zinc/06/98/90/403069890.db2.gz HTLBYTAVTZODKQ-DLBZAZTESA-N 0 3 313.401 2.154 20 30 DEEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(C)CCC#N)C12CCCC2 ZINC000347702842 286290898 /nfs/dbraw/zinc/29/08/98/286290898.db2.gz JUDSKJMLKKQUIE-RBSFLKMASA-N 0 3 307.438 2.074 20 30 DEEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCCC1 ZINC000281632880 403076912 /nfs/dbraw/zinc/07/69/12/403076912.db2.gz OKHYVDKCBDNSBK-KBPBESRZSA-N 0 3 301.390 2.250 20 30 DEEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@@H](CO)C2CC2)C1=O ZINC000281914493 403104013 /nfs/dbraw/zinc/10/40/13/403104013.db2.gz GTQWIGSOBATYDZ-MSOLQXFVSA-N 0 3 314.429 2.046 20 30 DEEDHN C#CCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000268701131 403107728 /nfs/dbraw/zinc/10/77/28/403107728.db2.gz KEZVOEYJXJJOJN-INIZCTEOSA-N 0 3 320.458 2.009 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000281848832 403098080 /nfs/dbraw/zinc/09/80/80/403098080.db2.gz RDIQLNZLZZCXJI-WBVHZDCISA-N 0 3 321.465 2.307 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC000282103098 403122932 /nfs/dbraw/zinc/12/29/32/403122932.db2.gz WEJPKRXYEWTFEG-WBVHZDCISA-N 0 3 302.393 2.477 20 30 DEEDHN C#CC[C@@H](NC(=O)NCCN(C)CCCOC)c1ccccc1 ZINC000270469026 403193291 /nfs/dbraw/zinc/19/32/91/403193291.db2.gz VBSSEANBXJEVIB-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCc1ccc(OC[C@H](O)CN(C)C[C@@H](C)OC)c(OC)c1 ZINC000285711693 403363013 /nfs/dbraw/zinc/36/30/13/403363013.db2.gz OXDMGMVIZXLMOY-GDBMZVCRSA-N 0 3 323.433 2.130 20 30 DEEDHN CC(C)[C@@H](NCCCOc1cccc(C#N)c1)c1nncn1C ZINC000285531493 403319769 /nfs/dbraw/zinc/31/97/69/403319769.db2.gz ZZGBPDVXWARDND-MRXNPFEDSA-N 0 3 313.405 2.443 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC[C@@]2(C)CO)c(C#N)c1C ZINC000331129794 403335347 /nfs/dbraw/zinc/33/53/47/403335347.db2.gz AKQVYRLGZONLED-KHIZAZIESA-N 0 3 319.405 2.236 20 30 DEEDHN CCOc1ccnc(N2CCCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000292938774 403383210 /nfs/dbraw/zinc/38/32/10/403383210.db2.gz ZSFBNHFSUXITAU-HUUCEWRRSA-N 0 3 315.421 2.080 20 30 DEEDHN CCOc1ccnc(N2CCCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000292938773 403383320 /nfs/dbraw/zinc/38/33/20/403383320.db2.gz ZSFBNHFSUXITAU-GJZGRUSLSA-N 0 3 315.421 2.080 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@](CO)(C(C)C)C1 ZINC000293022436 403386393 /nfs/dbraw/zinc/38/63/93/403386393.db2.gz KOSPVCBCQNJYBP-SJLPKXTDSA-N 0 3 308.466 2.306 20 30 DEEDHN CCN(CCCC#N)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000293070263 403388845 /nfs/dbraw/zinc/38/88/45/403388845.db2.gz VJYPLBKJFIHRLX-KRWDZBQOSA-N 0 3 320.433 2.241 20 30 DEEDHN CC(C)[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCCO1 ZINC000293137933 403398026 /nfs/dbraw/zinc/39/80/26/403398026.db2.gz NHVITRPKUSPUSI-WMZOPIPTSA-N 0 3 318.417 2.045 20 30 DEEDHN COc1ccc([C@H](CNC(=O)C(C)C#N)N2CCCC2)cc1 ZINC000345664764 403427864 /nfs/dbraw/zinc/42/78/64/403427864.db2.gz NKQZFMKTEHQAEF-BBRMVZONSA-N 0 3 301.390 2.108 20 30 DEEDHN CC#CCN(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000293297176 403437143 /nfs/dbraw/zinc/43/71/43/403437143.db2.gz WGRFBIUSSQMLNA-UHFFFAOYSA-N 0 3 313.401 2.097 20 30 DEEDHN C[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCCC[C@@H]1C ZINC000343076746 403454363 /nfs/dbraw/zinc/45/43/63/403454363.db2.gz NYETZGYZAJNWQA-LSDHHAIUSA-N 0 3 315.417 2.316 20 30 DEEDHN CCOCC(C)(C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000293411077 403464693 /nfs/dbraw/zinc/46/46/93/403464693.db2.gz YZTSQJDNBQLDGE-INIZCTEOSA-N 0 3 315.417 2.458 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000298830964 403470955 /nfs/dbraw/zinc/47/09/55/403470955.db2.gz VYLLASFBUDYPCM-WFASDCNBSA-N 0 3 307.415 2.170 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000298837601 403472240 /nfs/dbraw/zinc/47/22/40/403472240.db2.gz FAWSAHNRXAPIQO-UHFFFAOYSA-N 0 3 307.482 2.241 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC2CC2)cc1 ZINC000287122693 403554880 /nfs/dbraw/zinc/55/48/80/403554880.db2.gz KUFHICLCZYTHRW-NSHDSACASA-N 0 3 321.402 2.246 20 30 DEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000345814818 403495565 /nfs/dbraw/zinc/49/55/65/403495565.db2.gz HSVOBTOHTSZTAJ-IRXDYDNUSA-N 0 3 315.417 2.373 20 30 DEEDHN C[C@@H]1COCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287099139 403553786 /nfs/dbraw/zinc/55/37/86/403553786.db2.gz ZAZJDGPZFWSYNY-KBRIMQKVSA-N 0 3 311.385 2.029 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000293877502 403588327 /nfs/dbraw/zinc/58/83/27/403588327.db2.gz CIJMBPQHQBGMPO-UHFFFAOYSA-N 0 3 301.365 2.300 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)CCC#N)cc2)CC1 ZINC000299488180 403561716 /nfs/dbraw/zinc/56/17/16/403561716.db2.gz FRGVXNQQRKSFAB-UHFFFAOYSA-N 0 3 314.433 2.203 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346170502 403577607 /nfs/dbraw/zinc/57/76/07/403577607.db2.gz AICKGCUKVFYMHK-YQQAZPJKSA-N 0 3 301.434 2.476 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccccc1OC ZINC000293979721 403614992 /nfs/dbraw/zinc/61/49/92/403614992.db2.gz MWNUGEVZNUYNHT-UHFFFAOYSA-N 0 3 302.418 2.044 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1cccc(C#N)c1 ZINC000343539081 403628283 /nfs/dbraw/zinc/62/82/83/403628283.db2.gz VFYKLBPKZMQISJ-HZPDHXFCSA-N 0 3 306.431 2.046 20 30 DEEDHN COc1ccc(C#N)cc1CN1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000343589295 403652618 /nfs/dbraw/zinc/65/26/18/403652618.db2.gz VGDSFCFIRZWDCZ-GOEBONIOSA-N 0 3 305.447 2.044 20 30 DEEDHN CC(C)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])N1CCCC1 ZINC000301643603 403658588 /nfs/dbraw/zinc/65/85/88/403658588.db2.gz NABLCBQLQMWOMU-ZDUSSCGKSA-N 0 3 303.366 2.394 20 30 DEEDHN CC[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCCO1 ZINC000333167909 403684336 /nfs/dbraw/zinc/68/43/36/403684336.db2.gz PDVUOKJDNJTQDH-MELADBBJSA-N 0 3 319.430 2.272 20 30 DEEDHN CCN(CCCO)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343685654 403691950 /nfs/dbraw/zinc/69/19/50/403691950.db2.gz MTSUNAXPZKRXCR-ISXOHVOVSA-N 0 3 309.454 2.010 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1 ZINC000288021550 403710234 /nfs/dbraw/zinc/71/02/34/403710234.db2.gz CFVIZESNVKBSFE-BBRMVZONSA-N 0 3 308.385 2.279 20 30 DEEDHN CN(CCNC(=N)Nc1cc(F)ccc1F)CC(F)(F)F ZINC000288793980 403770421 /nfs/dbraw/zinc/77/04/21/403770421.db2.gz YDWCPCKYVOLIBX-UHFFFAOYSA-N 0 3 310.270 2.186 20 30 DEEDHN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000294430805 403719636 /nfs/dbraw/zinc/71/96/36/403719636.db2.gz FABDNVLHRPHGAV-BARDWOONSA-N 0 3 303.385 2.017 20 30 DEEDHN N#CCCOCCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000294625055 403723674 /nfs/dbraw/zinc/72/36/74/403723674.db2.gz OYZUUBONEKWUFN-KRWDZBQOSA-N 0 3 302.374 2.429 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000343796209 403738009 /nfs/dbraw/zinc/73/80/09/403738009.db2.gz JZBJLCXWYBJLKG-ZENOOKHLSA-N 0 3 300.406 2.401 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1nccc(C#N)n1 ZINC000295069585 403750133 /nfs/dbraw/zinc/75/01/33/403750133.db2.gz QCUGMZOLGZILGJ-UHFFFAOYSA-N 0 3 322.416 2.486 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000341073225 403762132 /nfs/dbraw/zinc/76/21/32/403762132.db2.gz RUYHAMJAWIECCY-HEHGZKQESA-N 0 3 300.406 2.401 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCN(C2CCOCC2)C[C@H]1C)OCC ZINC000347722243 403826339 /nfs/dbraw/zinc/82/63/39/403826339.db2.gz PBQNZSFZUZNVSG-NVXWUHKLSA-N 0 3 324.465 2.069 20 30 DEEDHN Cc1cnn(C)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000289111982 403836743 /nfs/dbraw/zinc/83/67/43/403836743.db2.gz MXZCHIYOBNCISX-UHFFFAOYSA-N 0 3 323.444 2.308 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000295288147 403831775 /nfs/dbraw/zinc/83/17/75/403831775.db2.gz AGEIDZHYJIZTGP-WMZOPIPTSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000295151950 403776635 /nfs/dbraw/zinc/77/66/35/403776635.db2.gz PQGFKAJFOBUYJF-NUJGCVRESA-N 0 3 314.429 2.194 20 30 DEEDHN CC(=O)NCC[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000347629460 403783319 /nfs/dbraw/zinc/78/33/19/403783319.db2.gz KSIRSCMIEOXTKU-QGZVFWFLSA-N 0 3 315.417 2.175 20 30 DEEDHN CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(C)C#N ZINC000347749355 403843170 /nfs/dbraw/zinc/84/31/70/403843170.db2.gz CDFKWAJXBDNSFE-AWEZNQCLSA-N 0 3 300.406 2.306 20 30 DEEDHN COC(=O)[C@H](O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411402894 403847446 /nfs/dbraw/zinc/84/74/46/403847446.db2.gz VJEMXNLCLCXYNH-OAHLLOKOSA-N 0 3 308.422 2.096 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000295313226 403849951 /nfs/dbraw/zinc/84/99/51/403849951.db2.gz OHKGCZCXUUTNCG-SJORKVTESA-N 0 3 312.413 2.397 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000295322250 403854977 /nfs/dbraw/zinc/85/49/77/403854977.db2.gz MDVXKONFBFLQTO-LJQANCHMSA-N 0 3 314.429 2.348 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCN(c2ccnc3ccccc32)CC1 ZINC000289291796 403899606 /nfs/dbraw/zinc/89/96/06/403899606.db2.gz HFZLRKPWNPBOAL-OAHLLOKOSA-N 0 3 324.428 2.048 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000361886868 403908790 /nfs/dbraw/zinc/90/87/90/403908790.db2.gz BDTJOUXUXDGBGX-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000411647777 403923497 /nfs/dbraw/zinc/92/34/97/403923497.db2.gz YLKZHHPJJDWWTQ-HNNXBMFYSA-N 0 3 319.449 2.462 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CC)(CO)CC2)CC1 ZINC000305740467 403923948 /nfs/dbraw/zinc/92/39/48/403923948.db2.gz NCQPIAAVEZBXSB-UHFFFAOYSA-N 0 3 323.481 2.221 20 30 DEEDHN CC#CCN(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000362569101 403965947 /nfs/dbraw/zinc/96/59/47/403965947.db2.gz MXJNGCNRXJPYHQ-CQSZACIVSA-N 0 3 306.431 2.243 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000362340265 403944107 /nfs/dbraw/zinc/94/41/07/403944107.db2.gz RCKBKYDLHBGNNO-OAHLLOKOSA-N 0 3 300.406 2.282 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCO[C@H]21 ZINC000567214741 292296929 /nfs/dbraw/zinc/29/69/29/292296929.db2.gz CAZDIRJEQAPNPI-DJIMGWMZSA-N 0 3 313.401 2.290 20 30 DEEDHN C=CCOCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000348060782 404024439 /nfs/dbraw/zinc/02/44/39/404024439.db2.gz RVHYAFGOXFHHHR-CYBMUJFWSA-N 0 3 306.366 2.069 20 30 DEEDHN CC[C@](C)(C#N)c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000290105159 404042164 /nfs/dbraw/zinc/04/21/64/404042164.db2.gz NTFFKKLLZIVXEH-MRXNPFEDSA-N 0 3 315.377 2.263 20 30 DEEDHN N#Cc1cccc(CNC[C@H](O)COCc2ccccc2F)c1 ZINC000320222023 404063777 /nfs/dbraw/zinc/06/37/77/404063777.db2.gz UAIAPBKIAZUYAC-KRWDZBQOSA-N 0 3 314.360 2.365 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCOc3c(F)cccc32)CC1 ZINC000363076092 404064099 /nfs/dbraw/zinc/06/40/99/404064099.db2.gz FXGIASREZHWVCP-MRXNPFEDSA-N 0 3 316.376 2.111 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3ccccc3O2)CC1 ZINC000412030787 404065905 /nfs/dbraw/zinc/06/59/05/404065905.db2.gz BHECOEZYJZOHMR-KRWDZBQOSA-N 0 3 300.402 2.147 20 30 DEEDHN CCOC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)C(C)C ZINC000348435591 404070419 /nfs/dbraw/zinc/07/04/19/404070419.db2.gz CDVJNJCWLYPQOQ-GJZGRUSLSA-N 0 3 309.454 2.368 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@](C)(CC)C1=O)C(C)C ZINC000349239484 404138763 /nfs/dbraw/zinc/13/87/63/404138763.db2.gz XTXFMLOZSOPRCF-WMLDXEAASA-N 0 3 307.438 2.406 20 30 DEEDHN N#CCSCC(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000363392667 404157137 /nfs/dbraw/zinc/15/71/37/404157137.db2.gz JYCHPHHLMFPFPD-UHFFFAOYSA-N 0 3 309.479 2.358 20 30 DEEDHN Cc1nc(C)c(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)o1 ZINC000328798600 404153359 /nfs/dbraw/zinc/15/33/59/404153359.db2.gz WUHZHXWRONASBM-GFCCVEGCSA-N 0 3 322.409 2.427 20 30 DEEDHN O=C(Nc1nccn1-c1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000328760000 404145757 /nfs/dbraw/zinc/14/57/57/404145757.db2.gz XDTIVTXZONBEBW-OAHLLOKOSA-N 0 3 311.389 2.198 20 30 DEEDHN C[C@@H](C[S@@](C)=O)N(C)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290551579 404216483 /nfs/dbraw/zinc/21/64/83/404216483.db2.gz ZBRKTSIGMAUKNR-RCDICMHDSA-N 0 3 319.474 2.226 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ncc(OC)s1 ZINC000328884117 404167884 /nfs/dbraw/zinc/16/78/84/404167884.db2.gz MRKYORATFPSOPH-MNOVXSKESA-N 0 3 310.423 2.256 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)NCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000355087632 404209885 /nfs/dbraw/zinc/20/98/85/404209885.db2.gz SUVAJGWBEMNDRM-HOCLYGCPSA-N 0 3 314.433 2.498 20 30 DEEDHN COC[C@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000352228339 404231334 /nfs/dbraw/zinc/23/13/34/404231334.db2.gz XJRJCSVKJZAANH-NDUQDZPOSA-N 0 3 321.465 2.274 20 30 DEEDHN Cc1nn(C)c(N2CCN(CCC3CCCC3)CC2)c1C#N ZINC000349883144 404242224 /nfs/dbraw/zinc/24/22/24/404242224.db2.gz ODFIUMAMGZYFSX-UHFFFAOYSA-N 0 3 301.438 2.303 20 30 DEEDHN CC1(C#N)CCN(C(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000290647454 404256616 /nfs/dbraw/zinc/25/66/16/404256616.db2.gz YWCTVKOEDUIDBB-HUUCEWRRSA-N 0 3 312.369 2.443 20 30 DEEDHN CCCC(=O)N1CCC[C@@H](C(=O)NCC2=CCN(C)CC2)C1 ZINC000329211958 404266031 /nfs/dbraw/zinc/26/60/31/404266031.db2.gz HMNLPYGFMNHZGN-OAHLLOKOSA-N 0 3 307.438 2.244 20 30 DEEDHN Cc1noc([C@H]2CCCN2C(=O)NC2CCN(C3CC3)CC2)n1 ZINC000329213449 404267709 /nfs/dbraw/zinc/26/77/09/404267709.db2.gz JLTBXZAQUPMUNY-CQSZACIVSA-N 0 3 319.409 2.056 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@H](NCc3ccccc3)C2)c1 ZINC000364015909 404285478 /nfs/dbraw/zinc/28/54/78/404285478.db2.gz UYRVDABRIJFHJR-INIZCTEOSA-N 0 3 308.385 2.281 20 30 DEEDHN CC(C)N1CCCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329434351 404335296 /nfs/dbraw/zinc/33/52/96/404335296.db2.gz IMVYLTWTXYEERC-UHFFFAOYSA-N 0 3 305.378 2.377 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnn(C(C)(C)C)c3)[C@H]2C1 ZINC000329441545 404337345 /nfs/dbraw/zinc/33/73/45/404337345.db2.gz NBNQYPOUGHVQID-OCCSQVGLSA-N 0 3 305.426 2.210 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn3cc(C)nc3s2)CC1 ZINC000355520374 404345882 /nfs/dbraw/zinc/34/58/82/404345882.db2.gz KPPYGUJOXMDLBP-UHFFFAOYSA-N 0 3 304.419 2.084 20 30 DEEDHN COC(=O)c1nc([C@@H]2CCCN2C(=O)C(C)C#N)sc1C ZINC000352402675 404346452 /nfs/dbraw/zinc/34/64/52/404346452.db2.gz WSWXEFZUSPLSBB-SCZZXKLOSA-N 0 3 307.375 2.061 20 30 DEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000355248283 404308589 /nfs/dbraw/zinc/30/85/89/404308589.db2.gz ZVGZQMLLNXDYBN-MLGOLLRUSA-N 0 3 320.352 2.219 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@H](c1ccccc1)C(C)(C)CO ZINC000352350986 404310303 /nfs/dbraw/zinc/31/03/03/404310303.db2.gz VMCPUKNVWAEKNM-QGZVFWFLSA-N 0 3 317.433 2.098 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1nnc2n1CCCCC2 ZINC000329556269 404373814 /nfs/dbraw/zinc/37/38/14/404373814.db2.gz HHTUKSYBFJRHMI-OKILXGFUSA-N 0 3 319.453 2.376 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@@H](n2cccn2)C1)N1CCC(C)CC1 ZINC000329631932 404402902 /nfs/dbraw/zinc/40/29/02/404402902.db2.gz RONRXYKOFKIISQ-HZPDHXFCSA-N 0 3 319.453 2.164 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCc2c[nH]nc2C1 ZINC000329945506 404502613 /nfs/dbraw/zinc/50/26/13/404502613.db2.gz JCCGZEUYLYGBOB-WFASDCNBSA-N 0 3 302.422 2.488 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345035224 404510024 /nfs/dbraw/zinc/51/00/24/404510024.db2.gz TUMMSEMDBYQEQG-YPMHNXCESA-N 0 3 302.378 2.171 20 30 DEEDHN CC[C@H](NC(=O)NC1CCN(C2CC2)CC1)C1CCOCC1 ZINC000329968417 404511095 /nfs/dbraw/zinc/51/10/95/404511095.db2.gz WAPKYNCFROQOAU-INIZCTEOSA-N 0 3 309.454 2.322 20 30 DEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1(C)C ZINC000329746026 404439114 /nfs/dbraw/zinc/43/91/14/404439114.db2.gz RPFJHBBFWIVNGM-BYCMXARLSA-N 0 3 320.437 2.316 20 30 DEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1(C)C ZINC000329746026 404439118 /nfs/dbraw/zinc/43/91/18/404439118.db2.gz RPFJHBBFWIVNGM-BYCMXARLSA-N 0 3 320.437 2.316 20 30 DEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)[C@]1(C#N)C[C@H]1C ZINC000413936717 404446581 /nfs/dbraw/zinc/44/65/81/404446581.db2.gz HGMPDOKLJRGPCN-PXAZEXFGSA-N 0 3 317.389 2.124 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CCN1C ZINC000329796972 404454535 /nfs/dbraw/zinc/45/45/35/404454535.db2.gz FGESLMNNMODXBH-MCIONIFRSA-N 0 3 305.426 2.333 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000329824059 404463032 /nfs/dbraw/zinc/46/30/32/404463032.db2.gz ZVVMDQYXIQDQJW-BXUZGUMPSA-N 0 3 317.389 2.076 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000329830371 404465778 /nfs/dbraw/zinc/46/57/78/404465778.db2.gz KAKXUCYAGNRAQF-DYEKYZERSA-N 0 3 307.438 2.073 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414160110 404530266 /nfs/dbraw/zinc/53/02/66/404530266.db2.gz CNGYVLALFGQUFN-GFCCVEGCSA-N 0 3 309.435 2.185 20 30 DEEDHN Cn1cncc1CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000297280209 404530522 /nfs/dbraw/zinc/53/05/22/404530522.db2.gz ADRBHGVFIFGYDU-UHFFFAOYSA-N 0 3 310.401 2.378 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C12CCCN1CCC2 ZINC000342395454 404552531 /nfs/dbraw/zinc/55/25/31/404552531.db2.gz MEJQVQLYIQIIET-UHFFFAOYSA-N 0 3 318.417 2.305 20 30 DEEDHN COc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345107240 404553123 /nfs/dbraw/zinc/55/31/23/404553123.db2.gz CHFXKCZGCCPWPE-OLZOCXBDSA-N 0 3 301.390 2.297 20 30 DEEDHN CC(C)(CNC(=O)[C@@H]1CCCCS1(=O)=O)CN1CCCC1 ZINC000330145109 404564989 /nfs/dbraw/zinc/56/49/89/404564989.db2.gz HEJNMSIZFVKEHX-ZDUSSCGKSA-N 0 3 316.467 2.032 20 30 DEEDHN N#CCCCN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000365185074 404565701 /nfs/dbraw/zinc/56/57/01/404565701.db2.gz RZZPWYIUQHAXJL-CXAGYDPISA-N 0 3 324.388 2.184 20 30 DEEDHN CC(C)[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N(C)C ZINC000356537324 404577906 /nfs/dbraw/zinc/57/79/06/404577906.db2.gz SKBGYLVUEORIHO-QGZVFWFLSA-N 0 3 317.433 2.119 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)CN1CCOCC1 ZINC000297894296 404652594 /nfs/dbraw/zinc/65/25/94/404652594.db2.gz OIGAPMVBRBEXMU-MRXNPFEDSA-N 0 3 301.434 2.491 20 30 DEEDHN O=C(CCNC(=O)[C@@H]1CCCN1C1CC1)N1CCCCCC1 ZINC000330253747 404603266 /nfs/dbraw/zinc/60/32/66/404603266.db2.gz IZQXITYZCUSXET-HNNXBMFYSA-N 0 3 307.438 2.362 20 30 DEEDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000351525713 404625570 /nfs/dbraw/zinc/62/55/70/404625570.db2.gz TVPSMMZVVXGNPJ-HOCLYGCPSA-N 0 3 321.808 2.291 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(S(C)(=O)=O)s1 ZINC000414444511 404633847 /nfs/dbraw/zinc/63/38/47/404633847.db2.gz KVQXDJXVRCCRMC-FZMZJTMJSA-N 0 3 315.460 2.222 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)CC[C@@H]1CCCO1 ZINC000342609881 404677409 /nfs/dbraw/zinc/67/74/09/404677409.db2.gz WJSMOGXFFPRYNB-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN C=CCOc1ccc(CN2CCC(NC(=O)NC)CC2)cc1 ZINC000414538954 404670974 /nfs/dbraw/zinc/67/09/74/404670974.db2.gz CSWULOPAOJLLSQ-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000357822783 404745235 /nfs/dbraw/zinc/74/52/35/404745235.db2.gz ISSWCIVLHDEBBZ-LLVKDONJSA-N 0 3 309.772 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2COc3ccc(C)cc32)CC1 ZINC000366273518 404783789 /nfs/dbraw/zinc/78/37/89/404783789.db2.gz RTJXPKXDPGIRIT-INIZCTEOSA-N 0 3 315.417 2.378 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)CC1CCC1 ZINC000359354822 404791250 /nfs/dbraw/zinc/79/12/50/404791250.db2.gz YNSWVHSGHJDKHE-SJORKVTESA-N 0 3 300.402 2.426 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC1CCN(CCOC)CC1 ZINC000353324750 404802281 /nfs/dbraw/zinc/80/22/81/404802281.db2.gz WTIXQRMNCFJZNM-UHFFFAOYSA-N 0 3 311.470 2.485 20 30 DEEDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccco1 ZINC000353355780 404811461 /nfs/dbraw/zinc/81/14/61/404811461.db2.gz UGPDTCHXWHSKRS-BXUZGUMPSA-N 0 3 300.362 2.339 20 30 DEEDHN Cc1nc(NC[C@H](O)CN2CCC(C)CC2)c(Cl)cc1C#N ZINC000360067060 404815479 /nfs/dbraw/zinc/81/54/79/404815479.db2.gz UMCKFSAQMCZTOD-AWEZNQCLSA-N 0 3 322.840 2.420 20 30 DEEDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000416658804 404873238 /nfs/dbraw/zinc/87/32/38/404873238.db2.gz GIQGWGSTHHIDFX-UHFFFAOYSA-N 0 3 321.446 2.053 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360890475 404846152 /nfs/dbraw/zinc/84/61/52/404846152.db2.gz AJJBUECXRPNQPD-NXEZZACHSA-N 0 3 300.284 2.225 20 30 DEEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000415427267 404861654 /nfs/dbraw/zinc/86/16/54/404861654.db2.gz MWDVAJYLPXZPAL-HNNXBMFYSA-N 0 3 317.433 2.233 20 30 DEEDHN C[C@H](N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)O ZINC000451373275 404972181 /nfs/dbraw/zinc/97/21/81/404972181.db2.gz RPFZCZDKICTBFS-XJKSGUPXSA-N 0 3 315.417 2.145 20 30 DEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000434540422 404910714 /nfs/dbraw/zinc/91/07/14/404910714.db2.gz MOZHMDISYKMUNM-QGZVFWFLSA-N 0 3 320.458 2.451 20 30 DEEDHN C[C@@H]1CN(c2cccc(F)c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000367059464 404913419 /nfs/dbraw/zinc/91/34/19/404913419.db2.gz GJKKWXCMUZPXTA-PBHICJAKSA-N 0 3 316.424 2.160 20 30 DEEDHN N#CC(C(=O)c1cnnn1-c1cccc(F)c1)c1ccccn1 ZINC000434631043 404916470 /nfs/dbraw/zinc/91/64/70/404916470.db2.gz VIDHEOLSABQOLU-CYBMUJFWSA-N 0 3 307.288 2.291 20 30 DEEDHN CCOc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424091411 405002442 /nfs/dbraw/zinc/00/24/42/405002442.db2.gz DNMWORFVDVWIDB-TZMCWYRMSA-N 0 3 319.405 2.292 20 30 DEEDHN C=CCC1(C(=O)NCCN2CCN(C)C(C)(C)C2)CCCC1 ZINC000451455921 405004388 /nfs/dbraw/zinc/00/43/88/405004388.db2.gz RRLRZQDGSPRREW-UHFFFAOYSA-N 0 3 307.482 2.265 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1csc(Br)c1 ZINC000424097462 405004853 /nfs/dbraw/zinc/00/48/53/405004853.db2.gz QXUSSWVOJNHLOV-VIFPVBQESA-N 0 3 316.224 2.148 20 30 DEEDHN CC#CCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000361293906 405011219 /nfs/dbraw/zinc/01/12/19/405011219.db2.gz GCJQRTMLXRYHKP-UHFFFAOYSA-N 0 3 313.445 2.406 20 30 DEEDHN COc1ccc([C@H]2CCN(C(=O)[C@@H](N)CCCC#N)C2)cc1 ZINC000424117428 405012873 /nfs/dbraw/zinc/01/28/73/405012873.db2.gz YRPJSEPIQHCGGX-HOCLYGCPSA-N 0 3 301.390 2.032 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000424117040 405013027 /nfs/dbraw/zinc/01/30/27/405013027.db2.gz YBNSJLGGQGIPBE-ZDUSSCGKSA-N 0 3 317.780 2.485 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1nc(C2CCCCC2)no1 ZINC000424121134 405014314 /nfs/dbraw/zinc/01/43/14/405014314.db2.gz IDUQAEUSXOPOPZ-AAEUAGOBSA-N 0 3 319.409 2.316 20 30 DEEDHN COc1ccccc1C[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424131121 405016890 /nfs/dbraw/zinc/01/68/90/405016890.db2.gz VTBQSAZAUFGCFP-HOTGVXAUSA-N 0 3 317.433 2.400 20 30 DEEDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1[N+](=O)[O-] ZINC000424149394 405022412 /nfs/dbraw/zinc/02/24/12/405022412.db2.gz HCWWGRRDIPYCTA-AAEUAGOBSA-N 0 3 304.350 2.102 20 30 DEEDHN CN(C)c1cccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424149890 405022970 /nfs/dbraw/zinc/02/29/70/405022970.db2.gz XTAYFFXCMVSHGK-SJORKVTESA-N 0 3 314.433 2.437 20 30 DEEDHN COc1ccc(C[C@@H](C)CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424178923 405031453 /nfs/dbraw/zinc/03/14/53/405031453.db2.gz XUXXYNSTBRVDKG-CJNGLKHVSA-N 0 3 303.406 2.011 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000424182019 405032282 /nfs/dbraw/zinc/03/22/82/405032282.db2.gz STRARLZZXXJJGF-HNNXBMFYSA-N 0 3 313.401 2.103 20 30 DEEDHN CC(C)N(CCN(C)S(=O)(=O)CC(C)(C)CC#N)C(C)C ZINC000451382719 404974327 /nfs/dbraw/zinc/97/43/27/404974327.db2.gz HTMYPRXCLBGQIH-UHFFFAOYSA-N 0 3 317.499 2.307 20 30 DEEDHN C[C@@H](OCCCNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424065021 404991326 /nfs/dbraw/zinc/99/13/26/404991326.db2.gz LEOHEIUCMGQQPW-GDBMZVCRSA-N 0 3 303.406 2.292 20 30 DEEDHN CC(C)(CC#N)CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415994000 404999474 /nfs/dbraw/zinc/99/94/74/404999474.db2.gz UWTCJXJTICJSKC-UHFFFAOYSA-N 0 3 302.378 2.230 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCN(C)[C@@H](c3ccccc3)C2)nn1 ZINC000424295962 405061491 /nfs/dbraw/zinc/06/14/91/405061491.db2.gz NWJFSZXEADLHJC-SJLPKXTDSA-N 0 3 311.433 2.389 20 30 DEEDHN CCn1cc([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000451893587 405083046 /nfs/dbraw/zinc/08/30/46/405083046.db2.gz OYEXSZSUJZVMPX-CYBMUJFWSA-N 0 3 311.389 2.454 20 30 DEEDHN C=CCCn1cc(C(=O)N(CC(C)C)C2CCN(C)CC2)nn1 ZINC000424661073 405142144 /nfs/dbraw/zinc/14/21/44/405142144.db2.gz VRKXXEPGIPMKHH-UHFFFAOYSA-N 0 3 319.453 2.047 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419937939 405273276 /nfs/dbraw/zinc/27/32/76/405273276.db2.gz WJMBLSFIJZODJZ-MRXNPFEDSA-N 0 3 317.433 2.007 20 30 DEEDHN C=CCN(C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439419439 405277940 /nfs/dbraw/zinc/27/79/40/405277940.db2.gz HEYCWHLNDIMWEN-LBPRGKRZSA-N 0 3 318.186 2.446 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452731917 405235279 /nfs/dbraw/zinc/23/52/79/405235279.db2.gz PEWRPPRPGNOZES-SFHVURJKSA-N 0 3 316.445 2.484 20 30 DEEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CC1(C)C ZINC000419320173 405237811 /nfs/dbraw/zinc/23/78/11/405237811.db2.gz XCLWYJKWOHUDNJ-UONOGXRCSA-N 0 3 321.446 2.141 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)[C@@H]2C1 ZINC000425061043 405240258 /nfs/dbraw/zinc/24/02/58/405240258.db2.gz XOHQGYPBVBFVSB-SMDDNHRTSA-N 0 3 305.328 2.003 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](OC)[C@H](C)CC)CC1 ZINC000454456242 405348433 /nfs/dbraw/zinc/34/84/33/405348433.db2.gz CRBNQRQASWOLKX-ZBFHGGJFSA-N 0 3 311.470 2.387 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000454469501 405349853 /nfs/dbraw/zinc/34/98/53/405349853.db2.gz UPKJNSYBLNWQMI-GDBMZVCRSA-N 0 3 309.454 2.093 20 30 DEEDHN CC1CCN(CCNC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420790497 405384649 /nfs/dbraw/zinc/38/46/49/405384649.db2.gz ZFUOXDGUUCMLQE-UHFFFAOYSA-N 0 3 306.435 2.151 20 30 DEEDHN COc1cc(N[C@H]2CCCN(C(=O)C(C)C#N)C2)cc(OC)c1 ZINC000427014424 405386404 /nfs/dbraw/zinc/38/64/04/405386404.db2.gz ZGZCQBFYSPHCPS-STQMWFEESA-N 0 3 317.389 2.266 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000420874557 405398440 /nfs/dbraw/zinc/39/84/40/405398440.db2.gz YTRWGKPDJKPTQZ-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN C[C@@H](NC(=O)NCC1(N(C)C)CCC1)c1ccc(C#N)cc1 ZINC000445981469 405364767 /nfs/dbraw/zinc/36/47/67/405364767.db2.gz IVOCISVZZMASND-CYBMUJFWSA-N 0 3 300.406 2.403 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C ZINC000455774459 405449541 /nfs/dbraw/zinc/44/95/41/405449541.db2.gz CIPWBPZSBAHSQI-NXEZZACHSA-N 0 3 307.785 2.211 20 30 DEEDHN C[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C1=CCN(C)CC1 ZINC000455797229 405451684 /nfs/dbraw/zinc/45/16/84/405451684.db2.gz VNBOCWMSCAYYCI-SNVBAGLBSA-N 0 3 319.796 2.379 20 30 DEEDHN C=CCC1(C(=O)NCCN2CCN(CC)CC2)CCCCC1 ZINC000448973942 405481197 /nfs/dbraw/zinc/48/11/97/405481197.db2.gz HDVAYMRGHVRWMN-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN N#CC1(CCN2CC[C@@H](NC(=O)NC3CC3)C2)CCCCC1 ZINC000556814295 405538274 /nfs/dbraw/zinc/53/82/74/405538274.db2.gz WDCQUYNGKXPWCZ-OAHLLOKOSA-N 0 3 304.438 2.386 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000557737717 405623303 /nfs/dbraw/zinc/62/33/03/405623303.db2.gz KEKMWBBQVOIHIY-FMKPAKJESA-N 0 3 300.406 2.108 20 30 DEEDHN CCOC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528383746 405583793 /nfs/dbraw/zinc/58/37/93/405583793.db2.gz UAIYHUHHXHKOCE-NVXWUHKLSA-N 0 3 318.417 2.046 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000458782636 405588914 /nfs/dbraw/zinc/58/89/14/405588914.db2.gz UWDQTYPGGPKZMM-OIISXLGYSA-N 0 3 319.449 2.304 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)CN1CCCC1 ZINC000457038015 405665930 /nfs/dbraw/zinc/66/59/30/405665930.db2.gz RLQDJNZMMVOBSA-CQSZACIVSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCN1CCCC1(C)C ZINC000457064495 405677361 /nfs/dbraw/zinc/67/73/61/405677361.db2.gz WXPMPJHSRZUSEJ-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000459043710 405711449 /nfs/dbraw/zinc/71/14/49/405711449.db2.gz PDHQBCQUNRDKPS-BMFZPTHFSA-N 0 3 309.454 2.092 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000450126675 405749376 /nfs/dbraw/zinc/74/93/76/405749376.db2.gz JPLRRBABVDZGNY-KURKYZTESA-N 0 3 314.429 2.310 20 30 DEEDHN CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NNC1=N[C@@H](C)CN1 ZINC000495088506 405815204 /nfs/dbraw/zinc/81/52/04/405815204.db2.gz RDGRNUVZAFFAEY-STQMWFEESA-N 0 3 323.441 2.089 20 30 DEEDHN COC(=O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433109040 405868541 /nfs/dbraw/zinc/86/85/41/405868541.db2.gz JREAAWHKJRNGEJ-MRXNPFEDSA-N 0 3 314.385 2.171 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CCN1C ZINC000619759394 405931316 /nfs/dbraw/zinc/93/13/16/405931316.db2.gz IFOQRCNCFXLRKE-BXUZGUMPSA-N 0 3 320.824 2.494 20 30 DEEDHN C[C@@H](C#N)OCCN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495786038 405934026 /nfs/dbraw/zinc/93/40/26/405934026.db2.gz KWYYYRIPQILIHG-BBRMVZONSA-N 0 3 311.426 2.152 20 30 DEEDHN Cc1nnc(CNC(=O)C(C#N)CCc2ccccc2)n1C1CC1 ZINC000433378700 405937367 /nfs/dbraw/zinc/93/73/67/405937367.db2.gz RBNNFMCXBSCNIP-HNNXBMFYSA-N 0 3 323.400 2.310 20 30 DEEDHN C[C@@H](C#N)OCCN(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495937073 405940792 /nfs/dbraw/zinc/94/07/92/405940792.db2.gz ULVRMBPYUOPCHS-ZFWWWQNUSA-N 0 3 323.437 2.389 20 30 DEEDHN C=CCOCCCN1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026638 406021769 /nfs/dbraw/zinc/02/17/69/406021769.db2.gz URWUBJRBXMJOEE-HNNXBMFYSA-N 0 3 305.422 2.193 20 30 DEEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000566792278 406091091 /nfs/dbraw/zinc/09/10/91/406091091.db2.gz PNGLUVQXRKBBCI-JKSUJKDBSA-N 0 3 319.449 2.331 20 30 DEEDHN CN(Cc1ccncc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471624623 406102633 /nfs/dbraw/zinc/10/26/33/406102633.db2.gz IQTXHJSBBIVSLQ-QGZVFWFLSA-N 0 3 304.353 2.294 20 30 DEEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccccn1 ZINC000518375931 406137456 /nfs/dbraw/zinc/13/74/56/406137456.db2.gz JYGJZCXMSRJJTH-UHFFFAOYSA-N 0 3 306.373 2.063 20 30 DEEDHN C[C@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)CO1 ZINC000567898558 406157191 /nfs/dbraw/zinc/15/71/91/406157191.db2.gz VIWZYZLRBPBCLG-BBRMVZONSA-N 0 3 311.389 2.126 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1c(OC)cccc1OC ZINC000489423180 406405001 /nfs/dbraw/zinc/40/50/01/406405001.db2.gz HNNCFKAHAREVOQ-GJZGRUSLSA-N 0 3 321.417 2.484 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000489580018 406419522 /nfs/dbraw/zinc/41/95/22/406419522.db2.gz CUNWFEJBCGJVDM-RBSFLKMASA-N 0 3 302.484 2.238 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000491155235 406535481 /nfs/dbraw/zinc/53/54/81/406535481.db2.gz PPGUNQYLRUCLBC-UHFFFAOYSA-N 0 3 313.445 2.475 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(Br)s1 ZINC000491201130 406542105 /nfs/dbraw/zinc/54/21/05/406542105.db2.gz FOXPBJKOTNTRAN-VIFPVBQESA-N 0 3 315.236 2.301 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(F)cc1 ZINC000491243358 406552845 /nfs/dbraw/zinc/55/28/45/406552845.db2.gz WJYAHUMXYFKGLD-GUYCJALGSA-N 0 3 315.392 2.450 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCn2ccnc2)cc1 ZINC000525964712 406523798 /nfs/dbraw/zinc/52/37/98/406523798.db2.gz PQNHQISVCRIOBC-KRWDZBQOSA-N 0 3 321.384 2.034 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCOc1cccc(Cl)c1 ZINC000491553739 406619963 /nfs/dbraw/zinc/61/99/63/406619963.db2.gz CGJDAVRHMQEWKX-UHFFFAOYSA-N 0 3 308.809 2.180 20 30 DEEDHN C#CCNC(=O)CCNCCOc1ccccc1C(C)(C)C ZINC000491617452 406632616 /nfs/dbraw/zinc/63/26/16/406632616.db2.gz KGQSVKPQOUATRA-UHFFFAOYSA-N 0 3 302.418 2.092 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cn2ccnc2C(C)C)CC1 ZINC000635532042 406577063 /nfs/dbraw/zinc/57/70/63/406577063.db2.gz YNBNBQWBVXSLAA-UHFFFAOYSA-N 0 3 304.438 2.163 20 30 DEEDHN COc1ccc([C@H](C)NCCn2cnc(C#N)n2)cc1Cl ZINC000552023928 406672700 /nfs/dbraw/zinc/67/27/00/406672700.db2.gz LUKQIARJZNKJAT-JTQLQIEISA-N 0 3 305.769 2.163 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cccc(OCC)c1 ZINC000491723269 406688373 /nfs/dbraw/zinc/68/83/73/406688373.db2.gz BFFDVJDXFOECBN-HNNXBMFYSA-N 0 3 317.433 2.401 20 30 DEEDHN C#CCN(CC)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000491744952 406698958 /nfs/dbraw/zinc/69/89/58/406698958.db2.gz SYSDMNPLTMDVIR-UHFFFAOYSA-N 0 3 319.405 2.123 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1nc2ccccc2s1 ZINC000491771677 406710406 /nfs/dbraw/zinc/71/04/06/406710406.db2.gz OXGNZHIMKASSMX-UHFFFAOYSA-N 0 3 315.442 2.300 20 30 DEEDHN C#CCN1CCC(C(=O)OC[C@@H]2CCCCN2C(C)C)CC1 ZINC000491771951 406711173 /nfs/dbraw/zinc/71/11/73/406711173.db2.gz RWVLYMWWPUMFPD-KRWDZBQOSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000491776926 406714205 /nfs/dbraw/zinc/71/42/05/406714205.db2.gz CUWKHMYDBHIFNS-QGZVFWFLSA-N 0 3 318.461 2.330 20 30 DEEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000572666622 406716297 /nfs/dbraw/zinc/71/62/97/406716297.db2.gz QVYMLSVPOOQTJA-IRXDYDNUSA-N 0 3 310.401 2.068 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000491794505 406723545 /nfs/dbraw/zinc/72/35/45/406723545.db2.gz QYHKCALIEMMZFK-UHFFFAOYSA-N 0 3 315.348 2.166 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491923302 406778360 /nfs/dbraw/zinc/77/83/60/406778360.db2.gz CONNIKBEZSNVIP-FPLPWBNLSA-N 0 3 307.397 2.175 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccccc2S(=O)(=O)NC)CC1 ZINC000641359708 406778722 /nfs/dbraw/zinc/77/87/22/406778722.db2.gz QBYIJZGTTPOKBN-UHFFFAOYSA-N 0 3 323.462 2.047 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000491923301 406779090 /nfs/dbraw/zinc/77/90/90/406779090.db2.gz CONNIKBEZSNVIP-BQYQJAHWSA-N 0 3 307.397 2.175 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC2(C[C@H]1C)CCOCC2 ZINC000646101154 406780249 /nfs/dbraw/zinc/78/02/49/406780249.db2.gz XSGUJYVTKSEBSO-CVEARBPZSA-N 0 3 306.450 2.467 20 30 DEEDHN N#Cc1cccc(C2(NC(=O)N[C@H]3CCN(C4CC4)C3)CC2)c1 ZINC000554559929 406812386 /nfs/dbraw/zinc/81/23/86/406812386.db2.gz RHWTYMIBUHSQRD-HNNXBMFYSA-N 0 3 310.401 2.083 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000554629668 406818368 /nfs/dbraw/zinc/81/83/68/406818368.db2.gz BECCKKPJULRVOK-INMHGKMJSA-N 0 3 314.433 2.356 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn(C)nc2C2CCC2)CC1 ZINC000576208059 406829128 /nfs/dbraw/zinc/82/91/28/406829128.db2.gz MFWAWELRPDYEQM-UHFFFAOYSA-N 0 3 316.449 2.458 20 30 DEEDHN C[C@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCOC1(C)C ZINC000576444700 406830990 /nfs/dbraw/zinc/83/09/90/406830990.db2.gz LUASMEPZJSDCSC-CJNGLKHVSA-N 0 3 311.385 2.266 20 30 DEEDHN C=CCC[C@@H](CO)NCc1c(C)nn(C)c1OCC(F)(F)F ZINC000641760819 406886416 /nfs/dbraw/zinc/88/64/16/406886416.db2.gz WWHMZNLEIIYSPB-NSHDSACASA-N 0 3 321.343 2.086 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000569871235 292448186 /nfs/dbraw/zinc/44/81/86/292448186.db2.gz WLEKEEFINADGKR-UHFFFAOYSA-N 0 3 300.406 2.256 20 30 DEEDHN C[C@H](CNC(=O)CN1CCC[C@@H]1C)Nc1cccc(F)c1C#N ZINC001098282667 782016258 /nfs/dbraw/zinc/01/62/58/782016258.db2.gz SHKWJVCRBPLLRZ-OLZOCXBDSA-N 0 3 318.396 2.098 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)s1 ZINC000571430112 292549325 /nfs/dbraw/zinc/54/93/25/292549325.db2.gz WAILKEYNRLMHFH-ZDUSSCGKSA-N 0 3 318.446 2.390 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)C(C)C ZINC000133047771 196307661 /nfs/dbraw/zinc/30/76/61/196307661.db2.gz ANWKIRPEEHZMGP-MRXNPFEDSA-N 0 3 300.406 2.315 20 30 DEEDHN N#Cc1csc(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000134128188 196363365 /nfs/dbraw/zinc/36/33/65/196363365.db2.gz ODRPHJVRMARDQC-UHFFFAOYSA-N 0 3 305.447 2.164 20 30 DEEDHN COCCN1CCC(NC(=O)c2cc(C(C)(C)C)nn2C)CC1 ZINC000330572366 226015457 /nfs/dbraw/zinc/01/54/57/226015457.db2.gz NGXDNMIQGIYMPJ-UHFFFAOYSA-N 0 3 322.453 2.133 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)CCN1C ZINC000330891134 226039314 /nfs/dbraw/zinc/03/93/14/226039314.db2.gz CKXJFHDQKODDIU-IUODEOHRSA-N 0 3 303.406 2.176 20 30 DEEDHN N#CCCOCCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000339027723 226176966 /nfs/dbraw/zinc/17/69/66/226176966.db2.gz QMQWTQPNZVCZEZ-UHFFFAOYSA-N 0 3 322.453 2.013 20 30 DEEDHN C[C@H](C(=O)NC(C)(C)C)N(C)CCCC1(C#N)CCOCC1 ZINC000337216778 226132612 /nfs/dbraw/zinc/13/26/12/226132612.db2.gz ZPJRHGQFGPVTGY-CQSZACIVSA-N 0 3 309.454 2.322 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291156450 222179838 /nfs/dbraw/zinc/17/98/38/222179838.db2.gz FJBAKAJIVQEQEA-VQTJNVASSA-N 0 3 322.408 2.228 20 30 DEEDHN N#CC1(CCCN2CCCN(CC(F)F)CC2)CCOCC1 ZINC000374083705 227124508 /nfs/dbraw/zinc/12/45/08/227124508.db2.gz NAFCROFZDPTQOA-UHFFFAOYSA-N 0 3 315.408 2.360 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000291276490 222277805 /nfs/dbraw/zinc/27/78/05/222277805.db2.gz LUBBFOCJHXSVLA-GOSISDBHSA-N 0 3 304.434 2.212 20 30 DEEDHN CS[C@H]1CN(c2ncc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000413225540 228293629 /nfs/dbraw/zinc/29/36/29/228293629.db2.gz GXAFVOQLMCTOGB-KGLIPLIRSA-N 0 3 306.410 2.108 20 30 DEEDHN COCCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413087398 228274236 /nfs/dbraw/zinc/27/42/36/228274236.db2.gz UWVQBSJEGJSYNN-UHFFFAOYSA-N 0 3 318.377 2.298 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413913114 228396154 /nfs/dbraw/zinc/39/61/54/228396154.db2.gz JUWJDHJUNVWTCP-BDJLRTHQSA-N 0 3 305.353 2.254 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000299595595 229244707 /nfs/dbraw/zinc/24/47/07/229244707.db2.gz FCDHYZSVDQMSGI-QGZVFWFLSA-N 0 3 313.401 2.388 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)[C@H]1C ZINC001088892730 782025212 /nfs/dbraw/zinc/02/52/12/782025212.db2.gz NUVQMVWYANXTQL-PVUWLOKVSA-N 0 3 318.392 2.284 20 30 DEEDHN Cc1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nc1C#N ZINC000302638074 230328494 /nfs/dbraw/zinc/32/84/94/230328494.db2.gz KRUPIMWUWLMANF-SJORKVTESA-N 0 3 322.412 2.309 20 30 DEEDHN CN1CCC(n2ccc(NC(=O)NC3(C)CCCC3)n2)CC1 ZINC000330226586 424908735 /nfs/dbraw/zinc/90/87/35/424908735.db2.gz UNYRYNZIBBXQJU-UHFFFAOYSA-N 0 3 305.426 2.808 20 30 DEEDHN CC#CC[C@H](CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000649181424 424964689 /nfs/dbraw/zinc/96/46/89/424964689.db2.gz ZXSQEYAINOUHFO-GOSISDBHSA-N 0 3 314.429 2.177 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000649362812 425001485 /nfs/dbraw/zinc/00/14/85/425001485.db2.gz HRUNLQPCWNPCLY-JSGCOSHPSA-N 0 3 323.824 2.323 20 30 DEEDHN N#Cc1cnnc(N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000596136455 425019268 /nfs/dbraw/zinc/01/92/68/425019268.db2.gz HZMOBWWKQUGXCK-KRWDZBQOSA-N 0 3 307.401 2.987 20 30 DEEDHN CN(CCSc1nc(N)c(C#N)cc1C#N)Cc1ccccc1 ZINC000352160250 425043097 /nfs/dbraw/zinc/04/30/97/425043097.db2.gz IRPLEQPTFGCYRR-UHFFFAOYSA-N 0 3 323.425 2.631 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660990828 425294073 /nfs/dbraw/zinc/29/40/73/425294073.db2.gz IEIOFHJMZUPYKV-GDBMZVCRSA-N 0 3 309.454 2.284 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2nc(C#N)cs2)C1 ZINC000496452126 267123781 /nfs/dbraw/zinc/12/37/81/267123781.db2.gz IBRGUUBBWWHIRE-NEPJUHHUSA-N 0 3 322.434 2.361 20 30 DEEDHN C=CCN(CCCN1C(=O)c2ccccc2C1=O)[C@@H](C)COC ZINC000661248165 425361232 /nfs/dbraw/zinc/36/12/32/425361232.db2.gz SQMPUSFXWVILRC-AWEZNQCLSA-N 0 3 316.401 2.196 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000661380863 425394208 /nfs/dbraw/zinc/39/42/08/425394208.db2.gz QNGFLACOTVQACW-NVXWUHKLSA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCC1(NC(=O)NCCN2CCN(C)C(C)(C)C2)CCCC1 ZINC000664814174 425459181 /nfs/dbraw/zinc/45/91/81/425459181.db2.gz AXUMRPJGDQKLPS-UHFFFAOYSA-N 0 3 322.497 2.201 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000665386609 425560566 /nfs/dbraw/zinc/56/05/66/425560566.db2.gz ZJRSGZCLJNGNEL-IXDOHACOSA-N 0 3 323.481 2.267 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000528515073 268303551 /nfs/dbraw/zinc/30/35/51/268303551.db2.gz DEORJCGPVXPDTJ-RHSMWYFYSA-N 0 3 324.380 2.281 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC(OCC3CC3)CC2)cc1 ZINC000360041762 269047166 /nfs/dbraw/zinc/04/71/66/269047166.db2.gz RIBDAJKAOKKHLR-GOSISDBHSA-N 0 3 300.402 2.483 20 30 DEEDHN CC1CCC(CNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000515015624 269340671 /nfs/dbraw/zinc/34/06/71/269340671.db2.gz ZPAFDWXQRLLWPW-UHFFFAOYSA-N 0 3 321.446 2.143 20 30 DEEDHN CO[C@@H]([C@@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000414188248 274061548 /nfs/dbraw/zinc/06/15/48/274061548.db2.gz QILPADPNDQJCAM-HSMVNMDESA-N 0 3 301.390 2.288 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000330140203 276231835 /nfs/dbraw/zinc/23/18/35/276231835.db2.gz PJFCQZYBAHKDIB-ILXRZTDVSA-N 0 3 317.437 2.260 20 30 DEEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339158361 277178492 /nfs/dbraw/zinc/17/84/92/277178492.db2.gz RBECUJWJQXWNAC-CPUCHLNUSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H]1CO)C(C)C ZINC000190307854 277848225 /nfs/dbraw/zinc/84/82/25/277848225.db2.gz SFKJVUQQYQPCJX-IKGGRYGDSA-N 0 3 323.481 2.097 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCC[C@@H]1O)C(C)C ZINC000350750644 277850137 /nfs/dbraw/zinc/85/01/37/277850137.db2.gz ZXHZUGJDNOMZFY-ZACQAIPSSA-N 0 3 323.481 2.240 20 30 DEEDHN C=CC[C@H]1N(C(=O)C(=O)N[C@@H](CN)CCCC)CCCC1(C)C ZINC000420116705 277889982 /nfs/dbraw/zinc/88/99/82/277889982.db2.gz GLZGHTUSCDPPFE-HUUCEWRRSA-N 0 3 323.481 2.213 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000450693920 277904244 /nfs/dbraw/zinc/90/42/44/277904244.db2.gz FTRNZAKYPMJIIG-MXASKKJJSA-N 0 3 302.418 2.385 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ncc(C#N)cc1Cl ZINC000427908496 278253959 /nfs/dbraw/zinc/25/39/59/278253959.db2.gz ZPRDASJLRHMBHI-NSHDSACASA-N 0 3 306.797 2.211 20 30 DEEDHN C[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccc(C#N)cc1 ZINC000264209288 278325967 /nfs/dbraw/zinc/32/59/67/278325967.db2.gz GRMYHZBCVLDNFY-QWHCGFSZSA-N 0 3 300.406 2.401 20 30 DEEDHN CC1(C)NC(=O)CC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000328756313 278400679 /nfs/dbraw/zinc/40/06/79/278400679.db2.gz UBOUWMWUUQRZSP-ZDUSSCGKSA-N 0 3 308.426 2.014 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccc(F)cc2F)C[C@H]1C ZINC001328278031 1148763132 /nfs/dbraw/zinc/76/31/32/1148763132.db2.gz GPZBVLIMLFIGSV-CZUORRHYSA-N 0 3 320.383 2.500 20 30 DEEDHN CCN(C[C@H]1CCN(CCOCCC#N)C1)CC(F)(F)F ZINC000339011010 279231855 /nfs/dbraw/zinc/23/18/55/279231855.db2.gz ONNBCYPKKVDXDV-CYBMUJFWSA-N 0 3 307.360 2.123 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CCCN2C)c(C#N)c1C ZINC000421016079 279273797 /nfs/dbraw/zinc/27/37/97/279273797.db2.gz XSVXNUDWOPEPQM-TZMCWYRMSA-N 0 3 318.421 2.121 20 30 DEEDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000330273252 280160928 /nfs/dbraw/zinc/16/09/28/280160928.db2.gz YXELEJKCJQJEQJ-SWLSCSKDSA-N 0 3 309.435 2.361 20 30 DEEDHN O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN1C1CCOCC1 ZINC000329346273 295386496 /nfs/dbraw/zinc/38/64/96/295386496.db2.gz RIUUGLJBRDZXFR-UONOGXRCSA-N 0 3 309.410 2.095 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@@H](c2cccs2)N2CCOCC2)C1 ZINC000338963949 303160896 /nfs/dbraw/zinc/16/08/96/303160896.db2.gz RTIIDLBRNLNJBY-ILXRZTDVSA-N 0 3 305.447 2.403 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(C(F)F)CC2)cc1 ZINC000317310873 303196044 /nfs/dbraw/zinc/19/60/44/303196044.db2.gz BFPTUKZSOPAUJJ-CQSZACIVSA-N 0 3 310.344 2.275 20 30 DEEDHN C=C(C)C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)OCC ZINC001349848824 1151297623 /nfs/dbraw/zinc/29/76/23/1151297623.db2.gz CQIWHAOFEXCFMW-HUUCEWRRSA-N 0 3 304.390 2.091 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](OC)C(C)C ZINC001368920271 1148768671 /nfs/dbraw/zinc/76/86/71/1148768671.db2.gz UZCSNKHKOAHPAO-ZDUSSCGKSA-N 0 3 304.862 2.484 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2cccc(F)c2)o1 ZINC000174375912 325739414 /nfs/dbraw/zinc/73/94/14/325739414.db2.gz LAWBEYZTBKYSPS-UHFFFAOYSA-N 0 3 301.321 2.200 20 30 DEEDHN COC1(CNCc2cnc3c(C#N)cnn3c2)CCC(C)CC1 ZINC000567887956 325876222 /nfs/dbraw/zinc/87/62/22/325876222.db2.gz VTGBQRQDVDLCIN-UHFFFAOYSA-N 0 3 313.405 2.286 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000573188437 326030715 /nfs/dbraw/zinc/03/07/15/326030715.db2.gz KAIUDOGNQRNUHR-MSOLQXFVSA-N 0 3 323.396 2.182 20 30 DEEDHN COC1(CN2CCN(c3cnccc3C#N)CC2)CCCC1 ZINC000574624181 326171925 /nfs/dbraw/zinc/17/19/25/326171925.db2.gz QKELZTLNCZZPDT-UHFFFAOYSA-N 0 3 300.406 2.034 20 30 DEEDHN N#Cc1cccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000574906068 326199454 /nfs/dbraw/zinc/19/94/54/326199454.db2.gz QOGZYQCXWVVJIX-SFHVURJKSA-N 0 3 320.396 2.244 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)C1(C)C ZINC000577280697 326355116 /nfs/dbraw/zinc/35/51/16/326355116.db2.gz GXJFVNYLERELOJ-LSDHHAIUSA-N 0 3 313.405 2.283 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@](C)(OC)C2CC2)CC1 ZINC000361498718 332949973 /nfs/dbraw/zinc/94/99/73/332949973.db2.gz MLKSHKFVRJJQAF-QGZVFWFLSA-N 0 3 309.454 2.141 20 30 DEEDHN CN(C)CCOc1cccc(CNC[C@H](C#N)CCC#N)c1 ZINC000562985377 333010849 /nfs/dbraw/zinc/01/08/49/333010849.db2.gz QHNCSICQPVQJEY-INIZCTEOSA-N 0 3 300.406 2.160 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)N[C@@H](C)CC#N)c2)CC1 ZINC000185713757 333212630 /nfs/dbraw/zinc/21/26/30/333212630.db2.gz WSIXNDOAMZGTNT-AWEZNQCLSA-N 0 3 315.421 2.252 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000497188361 333219570 /nfs/dbraw/zinc/21/95/70/333219570.db2.gz XANSGYQRYDEDQC-ILXRZTDVSA-N 0 3 323.437 2.104 20 30 DEEDHN N#CCCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000521402394 333368726 /nfs/dbraw/zinc/36/87/26/333368726.db2.gz HQBMWFGAKXQDLB-MRXNPFEDSA-N 0 3 300.406 2.104 20 30 DEEDHN C=CCCOCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000534571714 334286826 /nfs/dbraw/zinc/28/68/26/334286826.db2.gz WLVPKFDMTZEYFZ-QGZVFWFLSA-N 0 3 317.433 2.003 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000111862483 334359933 /nfs/dbraw/zinc/35/99/33/334359933.db2.gz OULDNAQNQJMGJL-OAHLLOKOSA-N 0 3 317.433 2.392 20 30 DEEDHN C[C@H](C#N)CN(C)CCCN1CCN(c2ccccc2)CC1 ZINC000352124174 336195768 /nfs/dbraw/zinc/19/57/68/336195768.db2.gz WRCJDIHPGQZZGR-QGZVFWFLSA-N 0 3 300.450 2.290 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)ccc(OC)c2F)[C@H]1C ZINC001088994544 782103593 /nfs/dbraw/zinc/10/35/93/782103593.db2.gz RVDFBOPCHXXGMK-YPMHNXCESA-N 0 3 322.355 2.189 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)CC1 ZINC000176244101 337149622 /nfs/dbraw/zinc/14/96/22/337149622.db2.gz MVZVVTHWGBEGTF-KXBFYZLASA-N 0 3 316.445 2.308 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000525950331 337305843 /nfs/dbraw/zinc/30/58/43/337305843.db2.gz YGZBMPPPMBANIA-WMZOPIPTSA-N 0 3 307.482 2.216 20 30 DEEDHN COc1cccc([C@H](CNc2ccnc(C#N)n2)N2CCCC2)c1 ZINC000583882741 337377352 /nfs/dbraw/zinc/37/73/52/337377352.db2.gz QWVHSMYKCLJCKU-INIZCTEOSA-N 0 3 323.400 2.028 20 30 DEEDHN C=CCN1CCC(NC(=O)c2sc3nccn3c2C)CC1 ZINC000270672295 337641889 /nfs/dbraw/zinc/64/18/89/337641889.db2.gz APPMWMRKEHSZBA-UHFFFAOYSA-N 0 3 304.419 2.084 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000424166667 337789592 /nfs/dbraw/zinc/78/95/92/337789592.db2.gz BAFMXZYPAPCSEO-KGLIPLIRSA-N 0 3 305.353 2.177 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000424166676 337789680 /nfs/dbraw/zinc/78/96/80/337789680.db2.gz BAFMXZYPAPCSEO-ZIAGYGMSSA-N 0 3 305.353 2.177 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000118270725 337850920 /nfs/dbraw/zinc/85/09/20/337850920.db2.gz WVUGMEPAMNUZKW-SJORKVTESA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NCc1ccccc1F ZINC000429730885 338088661 /nfs/dbraw/zinc/08/86/61/338088661.db2.gz NYUBDFPOPGFBPQ-OAHLLOKOSA-N 0 3 321.440 2.270 20 30 DEEDHN C=CCCO[C@H](C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000430480377 338107735 /nfs/dbraw/zinc/10/77/35/338107735.db2.gz YSPTVDJWZYBHFM-CQSZACIVSA-N 0 3 320.437 2.378 20 30 DEEDHN CC(C#N)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000496281006 340002132 /nfs/dbraw/zinc/00/21/32/340002132.db2.gz DZFJRZSJORSQJF-LPWJVIDDSA-N 0 3 309.410 2.391 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496366458 340003979 /nfs/dbraw/zinc/00/39/79/340003979.db2.gz UFENOSBGNCXRKH-QLFBSQMISA-N 0 3 323.437 2.246 20 30 DEEDHN C#Cc1cccc(CNC[C@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000496515416 340007008 /nfs/dbraw/zinc/00/70/08/340007008.db2.gz UHAJOGONJHUVLX-SFHVURJKSA-N 0 3 318.417 2.033 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C[C@H](C)O)CC1 ZINC000176499099 340427843 /nfs/dbraw/zinc/42/78/43/340427843.db2.gz MAQSCQGZMIXQJV-AWEZNQCLSA-N 0 3 311.470 2.123 20 30 DEEDHN CC#CCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000541747847 340982543 /nfs/dbraw/zinc/98/25/43/340982543.db2.gz BONHFPPMGOAMFU-UHFFFAOYSA-N 0 3 313.445 2.118 20 30 DEEDHN CN(C)Cc1ccc(CNS(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000564339920 341246606 /nfs/dbraw/zinc/24/66/06/341246606.db2.gz NQPRELTXCUCSNP-UHFFFAOYSA-N 0 3 323.462 2.107 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)c2)CC1 ZINC000556244315 341498939 /nfs/dbraw/zinc/49/89/39/341498939.db2.gz KQPBIPZRCVXSGP-KBXCAEBGSA-N 0 3 312.417 2.317 20 30 DEEDHN CN(C)CCn1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)n1 ZINC000566445052 341558421 /nfs/dbraw/zinc/55/84/21/341558421.db2.gz WVBHUBDROGZZBW-KRWDZBQOSA-N 0 3 317.437 2.037 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c(s2)CCC3)[C@H]1C ZINC001089022498 782120202 /nfs/dbraw/zinc/12/02/02/782120202.db2.gz YEETXEKUTGNSMW-OCCSQVGLSA-N 0 3 302.443 2.453 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001378398610 1152317390 /nfs/dbraw/zinc/31/73/90/1152317390.db2.gz KMDDMLURMILOMS-BZNIZROVSA-N 0 3 324.856 2.215 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1ccc[nH]1 ZINC001378538180 1152367972 /nfs/dbraw/zinc/36/79/72/1152367972.db2.gz XURWLEKMVNBDMZ-LBPRGKRZSA-N 0 3 314.364 2.181 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001398611498 1161016548 /nfs/dbraw/zinc/01/65/48/1161016548.db2.gz MPARKQDZBAXZLH-TVYUQYBPSA-N 0 3 309.772 2.376 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001329969881 1149024993 /nfs/dbraw/zinc/02/49/93/1149024993.db2.gz DRUATZQHBPPTBU-HNNXBMFYSA-N 0 3 302.418 2.134 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099093798 782145808 /nfs/dbraw/zinc/14/58/08/782145808.db2.gz UUIMWSLUTGZIOH-ZDUSSCGKSA-N 0 3 316.873 2.364 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)[C@H]1C ZINC001089077612 782154164 /nfs/dbraw/zinc/15/41/64/782154164.db2.gz PXWBVHDXBLFGOF-BJJXKVORSA-N 0 3 318.465 2.296 20 30 DEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(F)c1 ZINC000173415139 533855298 /nfs/dbraw/zinc/85/52/98/533855298.db2.gz WVLJHVFTQXMFSK-GLTXTHCDSA-N 0 3 321.327 2.142 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001441483859 1182017285 /nfs/dbraw/zinc/01/72/85/1182017285.db2.gz BQWOKRNRCMVYEM-HZSPNIEDSA-N 0 3 302.846 2.427 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001445816998 1184070463 /nfs/dbraw/zinc/07/04/63/1184070463.db2.gz MMUDQQWXPFLCGG-CYBMUJFWSA-N 0 3 303.878 2.153 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCCN1c1cccnn1 ZINC000329893660 534225217 /nfs/dbraw/zinc/22/52/17/534225217.db2.gz JQAVTNYMFGQZPE-QLFBSQMISA-N 0 3 317.437 2.275 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453411909 534450374 /nfs/dbraw/zinc/45/03/74/534450374.db2.gz FPJZQHHLDDHIJX-LSDHHAIUSA-N 0 3 319.453 2.236 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000453416296 534451355 /nfs/dbraw/zinc/45/13/55/534451355.db2.gz VXTFYIMYGWYQTB-SOUVJXGZSA-N 0 3 319.453 2.235 20 30 DEEDHN Cc1noc([C@H]2CCN(CCCC3(C#N)CCOCC3)C2)n1 ZINC000331618122 534483338 /nfs/dbraw/zinc/48/33/38/534483338.db2.gz SSEDFGSCZARTAK-AWEZNQCLSA-N 0 3 304.394 2.268 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCc1ccc(Cl)cc1 ZINC000451681563 534572499 /nfs/dbraw/zinc/57/24/99/534572499.db2.gz OQUNKKNZGKFINP-CVEARBPZSA-N 0 3 322.836 2.322 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000451671103 534571355 /nfs/dbraw/zinc/57/13/55/534571355.db2.gz FEWACLUJJNCMOI-NCOADZHNSA-N 0 3 324.465 2.021 20 30 DEEDHN N#CCCN(C(=O)CN[C@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000373815374 534631855 /nfs/dbraw/zinc/63/18/55/534631855.db2.gz NRZWOOTVYIPNST-FUHWJXTLSA-N 0 3 313.401 2.090 20 30 DEEDHN Cc1cc(C)c(C#N)c(SCCCN2CCN(C)CC2)n1 ZINC000129897998 524216373 /nfs/dbraw/zinc/21/63/73/524216373.db2.gz CTPSXJGBROYJGL-UHFFFAOYSA-N 0 3 304.463 2.300 20 30 DEEDHN N=C(NC[C@@H]1COC2(CCCC2)O1)Nc1cc(F)ccc1F ZINC000262243471 534833809 /nfs/dbraw/zinc/83/38/09/534833809.db2.gz BXMXWTZDIPRRPJ-LLVKDONJSA-N 0 3 311.332 2.377 20 30 DEEDHN C=CCN(CCN1CCO[C@@H](C)C1)Cc1ccc(OC)cc1 ZINC000191457259 526275054 /nfs/dbraw/zinc/27/50/54/526275054.db2.gz CVZFRCJZAZOUDJ-INIZCTEOSA-N 0 3 304.434 2.404 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000330855824 526415411 /nfs/dbraw/zinc/41/54/11/526415411.db2.gz SQZIFAWIBBQFLQ-HUUCEWRRSA-N 0 3 309.454 2.346 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000429294815 526543106 /nfs/dbraw/zinc/54/31/06/526543106.db2.gz SEROESNPXZONKD-ZFWWWQNUSA-N 0 3 302.418 2.262 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](CO)(CCC)C2)CC1 ZINC000378044290 526588598 /nfs/dbraw/zinc/58/85/98/526588598.db2.gz ADHUFLCKBWDRCN-GOSISDBHSA-N 0 3 323.481 2.221 20 30 DEEDHN C=C(C)CN[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442788876 526626589 /nfs/dbraw/zinc/62/65/89/526626589.db2.gz JIBJXJMXVOXIKS-UONOGXRCSA-N 0 3 310.438 2.119 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@H](N)c1ccccc1CC ZINC000417894460 526641487 /nfs/dbraw/zinc/64/14/87/526641487.db2.gz TVGXZIFYJYOYTK-INIZCTEOSA-N 0 3 305.422 2.141 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H]2C(=O)NCC[C@H]2C)ccc1OC ZINC000193696616 526662778 /nfs/dbraw/zinc/66/27/78/526662778.db2.gz CKZCXQMUCNUCAY-DYVFJYSZSA-N 0 3 318.417 2.264 20 30 DEEDHN C#CCCCS(=O)(=O)NC[C@@H]1CCCN1C1CCCCC1 ZINC000376314238 526720947 /nfs/dbraw/zinc/72/09/47/526720947.db2.gz NRVIVGYWEYRJOX-INIZCTEOSA-N 0 3 312.479 2.116 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000369756065 526723551 /nfs/dbraw/zinc/72/35/51/526723551.db2.gz CGZHYPUEZGYTQP-TZIWHRDSSA-N 0 3 322.452 2.494 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000338849829 526730884 /nfs/dbraw/zinc/73/08/84/526730884.db2.gz KMZZAAWIJSUBSS-OAHLLOKOSA-N 0 3 321.469 2.167 20 30 DEEDHN C=C1CCN(C[C@@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000293085230 526902405 /nfs/dbraw/zinc/90/24/05/526902405.db2.gz MSTICATWICWXII-QGZVFWFLSA-N 0 3 305.418 2.267 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417593930 526940696 /nfs/dbraw/zinc/94/06/96/526940696.db2.gz HZDFECWMKDQQOM-ZIAGYGMSSA-N 0 3 303.406 2.143 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000294642520 527071728 /nfs/dbraw/zinc/07/17/28/527071728.db2.gz QPUZLWMHZHWXFO-GJZGRUSLSA-N 0 3 302.418 2.270 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000294652307 527081277 /nfs/dbraw/zinc/08/12/77/527081277.db2.gz HNVCIOYRNHJQLA-HUUCEWRRSA-N 0 3 320.458 2.115 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339620965 527256137 /nfs/dbraw/zinc/25/61/37/527256137.db2.gz YUOANTRMVJFILJ-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H](Cc1ccccc1)N(CC)CC ZINC000351264638 527414467 /nfs/dbraw/zinc/41/44/67/527414467.db2.gz AQOSDKOBMXFXMI-QGZVFWFLSA-N 0 3 324.490 2.435 20 30 DEEDHN CC(=O)NC1CCC(NC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000329564278 527540465 /nfs/dbraw/zinc/54/04/65/527540465.db2.gz SFMDXHHASQRWKG-UWTIGNOOSA-N 0 3 322.453 2.428 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)CNc2cccc(C#N)c2)C1 ZINC000444604445 528934223 /nfs/dbraw/zinc/93/42/23/528934223.db2.gz BBOVLZBBHLXIPN-UHFFFAOYSA-N 0 3 314.433 2.208 20 30 DEEDHN CCN1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000330910227 528974313 /nfs/dbraw/zinc/97/43/13/528974313.db2.gz YCQNNUDASZRPIQ-UHFFFAOYSA-N 0 3 304.369 2.185 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000368497099 529348394 /nfs/dbraw/zinc/34/83/94/529348394.db2.gz VMJNZLMAUROZSF-OAHLLOKOSA-N 0 3 309.479 2.404 20 30 DEEDHN CC[C@](C)(O)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000330630667 529372719 /nfs/dbraw/zinc/37/27/19/529372719.db2.gz DJLCBFNYMXAOIQ-LESCRADOSA-N 0 3 319.449 2.487 20 30 DEEDHN CC(C)[C@@](O)(CN1CCN(CCC#N)CC1)c1ccccc1 ZINC001414026376 1152521143 /nfs/dbraw/zinc/52/11/43/1152521143.db2.gz UVWWUXMXQHPGKJ-SFHVURJKSA-N 0 3 301.434 2.061 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cncnc1CC)C(C)C ZINC001378998799 1152523369 /nfs/dbraw/zinc/52/33/69/1152523369.db2.gz JVNPFQZBULHHCD-AWEZNQCLSA-N 0 3 310.829 2.136 20 30 DEEDHN C#CCNC(=O)CCNCc1sc(C)cc1Br ZINC000835038807 649870402 /nfs/dbraw/zinc/87/04/02/649870402.db2.gz ZGWSWRVVJHBEFN-UHFFFAOYSA-N 0 3 315.236 2.048 20 30 DEEDHN Cc1oc(NC(=O)CNC2([C@@H]3CCCO3)CCC2)c(C#N)c1C ZINC001414062263 1152562031 /nfs/dbraw/zinc/56/20/31/1152562031.db2.gz IPHLNXPSSUBOMA-AWEZNQCLSA-N 0 3 317.389 2.398 20 30 DEEDHN C=CCOCCN1CCCC2(CN(C(=O)c3cocc3C)C2)C1 ZINC001330502798 1149165902 /nfs/dbraw/zinc/16/59/02/1149165902.db2.gz UIKBJRKOVVJHDB-UHFFFAOYSA-N 0 3 318.417 2.329 20 30 DEEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H]1C#N ZINC001361431224 1152635876 /nfs/dbraw/zinc/63/58/76/1152635876.db2.gz JHFVXFRAVYJPRX-UKRRQHHQSA-N 0 3 305.809 2.390 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000835338928 649908212 /nfs/dbraw/zinc/90/82/12/649908212.db2.gz BQAOIQLGUQRELG-BMFZPTHFSA-N 0 3 312.369 2.001 20 30 DEEDHN CN1CCCC[C@@H]1CC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940044 601320324 /nfs/dbraw/zinc/32/03/24/601320324.db2.gz BNPBWKGOVTXYBM-IAGOWNOFSA-N 0 3 315.417 2.490 20 30 DEEDHN CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940044 601320327 /nfs/dbraw/zinc/32/03/27/601320327.db2.gz BNPBWKGOVTXYBM-IAGOWNOFSA-N 0 3 315.417 2.490 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)on1 ZINC001379627028 1152657211 /nfs/dbraw/zinc/65/72/11/1152657211.db2.gz GWCCNOSPYWPWDR-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cn(C)c3ccccc23)C1 ZINC001023471970 625284797 /nfs/dbraw/zinc/28/47/97/625284797.db2.gz OSEIMOVFRDQSQR-HNNXBMFYSA-N 0 3 309.413 2.253 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001023476265 625285567 /nfs/dbraw/zinc/28/55/67/625285567.db2.gz KQGPQBRUVHYIOX-CYBMUJFWSA-N 0 3 321.371 2.484 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ncc(Cl)s2)C1 ZINC001023487400 625295265 /nfs/dbraw/zinc/29/52/65/625295265.db2.gz HNJYKWFVVKVJGU-NSHDSACASA-N 0 3 311.838 2.262 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cnc(C)o1 ZINC001025239715 625299942 /nfs/dbraw/zinc/29/99/42/625299942.db2.gz 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CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001025586164 625597961 /nfs/dbraw/zinc/59/79/61/625597961.db2.gz WPYJJKGPCQGBCR-ZFWWWQNUSA-N 0 3 314.433 2.141 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2oc(CC)nc2C)C1 ZINC001025590047 625602130 /nfs/dbraw/zinc/60/21/30/625602130.db2.gz KBOSBJIAHKKRMA-UKRRQHHQSA-N 0 3 317.433 2.399 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnc(OCC)c2)C1 ZINC001020569262 622880306 /nfs/dbraw/zinc/88/03/06/622880306.db2.gz VCJHDVQCUHQRKK-JOCQHMNTSA-N 0 3 309.797 2.083 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC000969770197 622915027 /nfs/dbraw/zinc/91/50/27/622915027.db2.gz BSEUNZOSQAQGTL-UONOGXRCSA-N 0 3 304.438 2.480 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001020625182 622974126 /nfs/dbraw/zinc/97/41/26/622974126.db2.gz VOCIACLVTTUFGZ-MGCOHNPYSA-N 0 3 300.189 2.338 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC000969890372 622977409 /nfs/dbraw/zinc/97/74/09/622977409.db2.gz 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001021151396 623392432 /nfs/dbraw/zinc/39/24/32/623392432.db2.gz YEVRHRPXFNGJFW-MGCOHNPYSA-N 0 3 321.764 2.136 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000970352225 623414590 /nfs/dbraw/zinc/41/45/90/623414590.db2.gz WRJPMQGJMGPGBU-SNVBAGLBSA-N 0 3 310.319 2.177 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC001025615221 625647575 /nfs/dbraw/zinc/64/75/75/625647575.db2.gz UGTVMCSAXNDIKH-KGLIPLIRSA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C\Cl)c1 ZINC001021222032 623434022 /nfs/dbraw/zinc/43/40/22/623434022.db2.gz SFHVAXVMOICPRQ-LLVZLEDESA-N 0 3 318.808 2.364 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC000970436684 623453693 /nfs/dbraw/zinc/45/36/93/623453693.db2.gz LKMFGHIQVKKOHA-ZDUSSCGKSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c(F)cc(OC)cc2F)C1 ZINC000970467230 623467314 /nfs/dbraw/zinc/46/73/14/623467314.db2.gz 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C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C)sn2)C1 ZINC001021571917 623774913 /nfs/dbraw/zinc/77/49/13/623774913.db2.gz GEULTUCWXHYVJQ-UKRRQHHQSA-N 0 3 303.431 2.011 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccoc2Cl)C1 ZINC001021573028 623775458 /nfs/dbraw/zinc/77/54/58/623775458.db2.gz PRYPPTGQFMZCCV-GXTWGEPZSA-N 0 3 306.793 2.493 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3occc3[nH]2)C1 ZINC001021601362 623813190 /nfs/dbraw/zinc/81/31/90/623813190.db2.gz XRRSNJYJEXEIAC-CZUORRHYSA-N 0 3 311.385 2.321 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccns2)C1 ZINC001021601131 623813613 /nfs/dbraw/zinc/81/36/13/623813613.db2.gz WEDMIAFLKCCVEU-UONOGXRCSA-N 0 3 303.431 2.093 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970950782 623826478 /nfs/dbraw/zinc/82/64/78/623826478.db2.gz PCJOYBOMBHTOGK-AWEZNQCLSA-N 0 3 307.344 2.246 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000970953838 623833315 /nfs/dbraw/zinc/83/33/15/623833315.db2.gz 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ZINC001021674235 623937534 /nfs/dbraw/zinc/93/75/34/623937534.db2.gz PSJDYGPLEDONKD-PBHICJAKSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccncc2Cl)C1 ZINC001021677308 623943000 /nfs/dbraw/zinc/94/30/00/623943000.db2.gz PWCKLZPEIYMNDY-CJNGLKHVSA-N 0 3 317.820 2.295 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CCO3)C1 ZINC001021678096 623943966 /nfs/dbraw/zinc/94/39/66/623943966.db2.gz VKNWFOSLBRATIX-ZWKOTPCHSA-N 0 3 324.424 2.181 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2nc(CC)oc2C)C1 ZINC001021683791 623954535 /nfs/dbraw/zinc/95/45/35/623954535.db2.gz CFUVTGJCTKKDRR-GJZGRUSLSA-N 0 3 315.417 2.105 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccccc2C#C)C1 ZINC001021721112 624005058 /nfs/dbraw/zinc/00/50/58/624005058.db2.gz BNGWFDQTSRQWRM-WOJBJXKFSA-N 0 3 320.436 2.157 20 30 DEEDHN CS[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971110582 624005115 /nfs/dbraw/zinc/00/51/15/624005115.db2.gz VTVQAJLNPLRYQE-XJKSGUPXSA-N 0 3 317.458 2.342 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc(C)c(C)s2)C1 ZINC001021735191 624017636 /nfs/dbraw/zinc/01/76/36/624017636.db2.gz CUMHGLGOBBLFFX-LSDHHAIUSA-N 0 3 317.458 2.320 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccn2CC)C1 ZINC001021738617 624022962 /nfs/dbraw/zinc/02/29/62/624022962.db2.gz AYCSGXQSEGUTDX-IRXDYDNUSA-N 0 3 313.445 2.458 20 30 DEEDHN Cc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1F ZINC000971212222 624071332 /nfs/dbraw/zinc/07/13/32/624071332.db2.gz XBRJAIKHNILCJC-DZGCQCFKSA-N 0 3 303.381 2.327 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001026733123 625700967 /nfs/dbraw/zinc/70/09/67/625700967.db2.gz RMUCAQUZGNXHHE-RYUDHWBXSA-N 0 3 307.344 2.063 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001021814182 624107032 /nfs/dbraw/zinc/10/70/32/624107032.db2.gz RNAOFINRYCXFKE-RWMBFGLXSA-N 0 3 313.239 2.488 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)ncn2)C[C@H]1C ZINC000947445374 624123989 /nfs/dbraw/zinc/12/39/89/624123989.db2.gz 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/nfs/dbraw/zinc/39/48/93/634394893.db2.gz DLYBGDWXKDWLFV-NNZMDNLPSA-N 0 3 324.424 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001022377571 624623934 /nfs/dbraw/zinc/62/39/34/624623934.db2.gz TYENLUVDTWJAPH-PHIMTYICSA-N 0 3 312.772 2.437 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(c3ccccn3)CC2)C1 ZINC000998763763 634397939 /nfs/dbraw/zinc/39/79/39/634397939.db2.gz FWTMCYZKRYCURY-UHFFFAOYSA-N 0 3 319.836 2.445 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001022463890 624679316 /nfs/dbraw/zinc/67/93/16/624679316.db2.gz PFUGIWNENTVFJA-OKILXGFUSA-N 0 3 323.824 2.012 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3conc3CC)C2)cc1 ZINC001022527321 624710236 /nfs/dbraw/zinc/71/02/36/624710236.db2.gz UQYMYCKENYTJEX-CALCHBBNSA-N 0 3 323.396 2.269 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc3c2CCOC3)C1 ZINC000971924701 624719191 /nfs/dbraw/zinc/71/91/91/624719191.db2.gz HRUYEQURPGTOJM-HNNXBMFYSA-N 0 3 300.402 2.092 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2cccc(OC)c2)C1 ZINC000971927465 624720246 /nfs/dbraw/zinc/72/02/46/624720246.db2.gz GBNSHSBLQBLUQI-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cccc3ncccc23)C1 ZINC000971931605 624720640 /nfs/dbraw/zinc/72/06/40/624720640.db2.gz MHRLVGFOQYXWOP-INIZCTEOSA-N 0 3 309.413 2.496 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C[C@@H]1C ZINC000947492695 624847845 /nfs/dbraw/zinc/84/78/45/624847845.db2.gz MFSBXHDSERNJOC-UONOGXRCSA-N 0 3 310.401 2.087 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000051619889 624870962 /nfs/dbraw/zinc/87/09/62/624870962.db2.gz CZINSVFXUSTKHE-OAHLLOKOSA-N 0 3 302.374 2.456 20 30 DEEDHN C#C[C@@H]1CCCCN1C[C@@H](O)COCc1cccc(OC)c1 ZINC000934510474 624899337 /nfs/dbraw/zinc/89/93/37/624899337.db2.gz WTYBCTTZSPHYGM-IAGOWNOFSA-N 0 3 303.402 2.060 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000972297589 624919192 /nfs/dbraw/zinc/91/91/92/624919192.db2.gz RZLQQOUWQJPTIM-MRXNPFEDSA-N 0 3 315.392 2.341 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001022869068 625050564 /nfs/dbraw/zinc/05/05/64/625050564.db2.gz JWTBUJZRPWILLJ-BETUJISGSA-N 0 3 324.222 2.149 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024837109 625073384 /nfs/dbraw/zinc/07/33/84/625073384.db2.gz OWOFJDQKAHDQHO-SFHVURJKSA-N 0 3 313.445 2.432 20 30 DEEDHN CCC[C@H]1CN(c2cc(C)cc(C#N)n2)CCN1CCOC ZINC000893056798 625083423 /nfs/dbraw/zinc/08/34/23/625083423.db2.gz RFKKIAUGHCKGDD-INIZCTEOSA-N 0 3 302.422 2.199 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC001024882109 625092551 /nfs/dbraw/zinc/09/25/51/625092551.db2.gz YZYYXOBTHQDSPJ-MRXNPFEDSA-N 0 3 323.400 2.066 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024890009 625096821 /nfs/dbraw/zinc/09/68/21/625096821.db2.gz ANAMQCBNQZFABT-QWHCGFSZSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001022957406 625117257 /nfs/dbraw/zinc/11/72/57/625117257.db2.gz 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C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001025197737 625259315 /nfs/dbraw/zinc/25/93/15/625259315.db2.gz KOPFYIAHDMDEGP-MSOLQXFVSA-N 0 3 311.429 2.482 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccn3c2CCCC3)C1 ZINC001023420573 625262273 /nfs/dbraw/zinc/26/22/73/625262273.db2.gz JTFOGBOUAOOFDF-INIZCTEOSA-N 0 3 313.445 2.290 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1C ZINC001025213403 625271206 /nfs/dbraw/zinc/27/12/06/625271206.db2.gz LVVLVVBTNPSGGJ-JKSUJKDBSA-N 0 3 314.433 2.119 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cc(C)on1 ZINC001025214309 625272576 /nfs/dbraw/zinc/27/25/76/625272576.db2.gz XUTVEBMQMYAMEF-IRXDYDNUSA-N 0 3 315.417 2.004 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc3ncn(C)c32)C1 ZINC001023448927 625273021 /nfs/dbraw/zinc/27/30/21/625273021.db2.gz BNVXMSBZLAIZDW-HNNXBMFYSA-N 0 3 324.428 2.038 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001007948096 625273342 /nfs/dbraw/zinc/27/33/42/625273342.db2.gz AKALPFOIGDNGDF-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2cnccc2C)C1 ZINC000998929501 634447789 /nfs/dbraw/zinc/44/77/89/634447789.db2.gz XIDTZIODZAJIKC-UHFFFAOYSA-N 0 3 307.825 2.264 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@@H]2C1 ZINC000978902934 634448596 /nfs/dbraw/zinc/44/85/96/634448596.db2.gz QRTYILSFLQZJND-JQALIZKVSA-N 0 3 302.462 2.376 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001024510550 625828620 /nfs/dbraw/zinc/82/86/20/625828620.db2.gz QBYMIYKZUVMGDJ-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001024534774 625852852 /nfs/dbraw/zinc/85/28/52/625852852.db2.gz LXVNFPCHKIMJFO-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2cnc(C)o2)cc1 ZINC000892489465 625883768 /nfs/dbraw/zinc/88/37/68/625883768.db2.gz KNYUCYDBCNYUBY-HNNXBMFYSA-N 0 3 311.341 2.436 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001024673830 625960105 /nfs/dbraw/zinc/96/01/05/625960105.db2.gz OOZHFJSKKJVFEC-CQSZACIVSA-N 0 3 303.406 2.256 20 30 DEEDHN Cc1ncc(C=CC(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000255870222 625962469 /nfs/dbraw/zinc/96/24/69/625962469.db2.gz XVKJCJZMQKASEH-FOQNGQEVSA-N 0 3 312.354 2.207 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3OC(C)C)[C@@H]2C1 ZINC000979002335 634474865 /nfs/dbraw/zinc/47/48/65/634474865.db2.gz JMLVSGLICYHYMV-OSYLJGHBSA-N 0 3 312.413 2.015 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999128216 634483766 /nfs/dbraw/zinc/48/37/66/634483766.db2.gz LJDBWBDXJXJEFA-OAHLLOKOSA-N 0 3 317.458 2.254 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(F)cc3Cl)[C@@H]2C1 ZINC000979033820 634486078 /nfs/dbraw/zinc/48/60/78/634486078.db2.gz DYWFWGUBYABJPJ-ZSOGYDGISA-N 0 3 306.768 2.020 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(OC4CCC4)cc3)[C@@H]2C1 ZINC000979099827 634500071 /nfs/dbraw/zinc/50/00/71/634500071.db2.gz HJZDWFKYZQKHSU-LDLYASANSA-N 0 3 324.424 2.159 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccoc3C(C)C)[C@@H]2C1 ZINC000979160816 634522168 /nfs/dbraw/zinc/52/21/68/634522168.db2.gz SDUDFCXQECGGDQ-PHZGNYQRSA-N 0 3 300.402 2.334 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)nc(OC)c2)C1 ZINC000999310858 634558282 /nfs/dbraw/zinc/55/82/82/634558282.db2.gz RFLMCWAQXHFSKM-UHFFFAOYSA-N 0 3 323.824 2.344 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCc3cnoc3C)C2)C1 ZINC000999376632 634572735 /nfs/dbraw/zinc/57/27/35/634572735.db2.gz YCNXRWWTOHIYFY-UHFFFAOYSA-N 0 3 303.406 2.418 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cnn(C)c3)C[C@H]2C1 ZINC000979524434 634669556 /nfs/dbraw/zinc/66/95/56/634669556.db2.gz YXILHQUVDHEREY-YDHLFZDLSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3=CCOCC3)C[C@@H]2C1 ZINC000979684832 634741399 /nfs/dbraw/zinc/74/13/99/634741399.db2.gz JPVUDPUSWYMQFY-XHSDSOJGSA-N 0 3 324.852 2.302 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3oc(C)nc3C)CC2)CC1 ZINC001000107261 634748167 /nfs/dbraw/zinc/74/81/67/634748167.db2.gz AIILPOJULIERKM-UHFFFAOYSA-N 0 3 315.417 2.289 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CCC3(F)F)CC2)CC1 ZINC001000187377 634782655 /nfs/dbraw/zinc/78/26/55/634782655.db2.gz HICHPGMWOBTXMH-CQSZACIVSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C)cc(C)n3)CC2)CC1 ZINC001000198283 634785697 /nfs/dbraw/zinc/78/56/97/634785697.db2.gz YNPZDMWFTRMJBG-UHFFFAOYSA-N 0 3 311.429 2.306 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCOC[C@H]3C)CC2)CC1 ZINC001000255525 634826718 /nfs/dbraw/zinc/82/67/18/634826718.db2.gz HHSMHMYRIPOLEW-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000836219269 650066517 /nfs/dbraw/zinc/06/65/17/650066517.db2.gz ZBBTUICUJOWPSN-UHFFFAOYSA-N 0 3 323.400 2.220 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001024726638 632952139 /nfs/dbraw/zinc/95/21/39/632952139.db2.gz WZRGVAHETIHEIW-ZDUSSCGKSA-N 0 3 312.364 2.439 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000974584783 633165483 /nfs/dbraw/zinc/16/54/83/633165483.db2.gz RPQSKIKMERQPLS-MRXNPFEDSA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C(C)(C)C1 ZINC000974652656 633210443 /nfs/dbraw/zinc/21/04/43/633210443.db2.gz OSLVFQCVHDOWHW-GFCCVEGCSA-N 0 3 322.840 2.089 20 30 DEEDHN CC1(C(=O)N2CC[C@@H](CNCc3cc(F)ccc3C#N)C2)CC1 ZINC001026859532 633220667 /nfs/dbraw/zinc/22/06/67/633220667.db2.gz NJWUCZHCDSFHGP-ZDUSSCGKSA-N 0 3 315.392 2.436 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3csnc3C)C[C@]2(C)C1 ZINC000982262054 635929414 /nfs/dbraw/zinc/92/94/14/635929414.db2.gz KZNQMBITHYZUMD-CALCHBBNSA-N 0 3 317.458 2.259 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001015959598 633271859 /nfs/dbraw/zinc/27/18/59/633271859.db2.gz IYSSQGVQEOZTDT-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974742043 633282276 /nfs/dbraw/zinc/28/22/76/633282276.db2.gz KWZAAQMVIGDCKZ-ZBFHGGJFSA-N 0 3 316.449 2.163 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]nc2CCC)C(C)(C)C1 ZINC000974791931 633301607 /nfs/dbraw/zinc/30/16/07/633301607.db2.gz HPUAZODOVKYKLV-HNNXBMFYSA-N 0 3 304.438 2.379 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)C(C)(C)C1 ZINC000974792385 633302448 /nfs/dbraw/zinc/30/24/48/633302448.db2.gz QSPKDBNUJNZTSL-MRXNPFEDSA-N 0 3 320.408 2.389 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3ccc(C)cn32)C(C)(C)C1 ZINC000974827255 633321343 /nfs/dbraw/zinc/32/13/43/633321343.db2.gz MIUXCYAUTCRLKW-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001026992573 633338956 /nfs/dbraw/zinc/33/89/56/633338956.db2.gz PILBZJAQJIUDOD-CHWSQXEVSA-N 0 3 319.453 2.078 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001027041143 633367333 /nfs/dbraw/zinc/36/73/33/633367333.db2.gz PVIGNHBDOPGWJD-QAPCUYQASA-N 0 3 318.465 2.443 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNCc3cnc(C)o3)C2)C1 ZINC001027050771 633377874 /nfs/dbraw/zinc/37/78/74/633377874.db2.gz KCEOSDBJBLRDNX-CQSZACIVSA-N 0 3 303.406 2.277 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cc(F)ccc2F)C(C)(C)C1 ZINC000974970630 633381080 /nfs/dbraw/zinc/38/10/80/633381080.db2.gz HGPPIAMOKQNUIP-MRXNPFEDSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3nonc3c2)C(C)(C)C1 ZINC000975000904 633384462 /nfs/dbraw/zinc/38/44/62/633384462.db2.gz YKILOALQVQRXEP-OAHLLOKOSA-N 0 3 314.389 2.239 20 30 DEEDHN Cc1cccc(C)c1OCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125112591 633512089 /nfs/dbraw/zinc/51/20/89/633512089.db2.gz WXAVOJYHCCDUNQ-CQSZACIVSA-N 0 3 323.352 2.425 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2coc(C(C)(C)C)n2)CC1 ZINC000997086762 633573066 /nfs/dbraw/zinc/57/30/66/633573066.db2.gz VKAJMCAALGQEAB-CYBMUJFWSA-N 0 3 317.433 2.436 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001027330181 633658264 /nfs/dbraw/zinc/65/82/64/633658264.db2.gz KUQKAMRTZTVHNJ-CZUORRHYSA-N 0 3 303.381 2.408 20 30 DEEDHN COc1cccc(CN(C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1 ZINC001027336943 633664516 /nfs/dbraw/zinc/66/45/16/633664516.db2.gz WGQKVSODVRLTSD-GOEBONIOSA-N 0 3 315.417 2.278 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C(C)C)on2)CC1 ZINC000997249935 633684644 /nfs/dbraw/zinc/68/46/44/633684644.db2.gz JOVWNLAPCSQLFL-CYBMUJFWSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cn(CC)nc2C)CC1 ZINC000997335072 633702535 /nfs/dbraw/zinc/70/25/35/633702535.db2.gz WDUYPXTZCYOSGW-CQSZACIVSA-N 0 3 316.449 2.065 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000997313592 633705758 /nfs/dbraw/zinc/70/57/58/633705758.db2.gz ROBIOIJBTDWZMZ-CQSZACIVSA-N 0 3 316.449 2.387 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3[nH]cnc32)CC1 ZINC000997361363 633716525 /nfs/dbraw/zinc/71/65/25/633716525.db2.gz BGNANMNHJYSDKL-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCN1C ZINC000921580061 633724517 /nfs/dbraw/zinc/72/45/17/633724517.db2.gz CIIZHVSDQLRSIR-KBMXLJTQSA-N 0 3 300.406 2.423 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2coc(C(C)(C)C)n2)C1 ZINC001027411733 633750078 /nfs/dbraw/zinc/75/00/78/633750078.db2.gz RTNQBJXKFFAWMY-CYBMUJFWSA-N 0 3 303.406 2.142 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(F)cccc2F)CC1 ZINC000997405869 633753693 /nfs/dbraw/zinc/75/36/93/633753693.db2.gz GGYNCOZBFLZOBI-GFCCVEGCSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cn3c(cccc3C)n2)CC1 ZINC000997416882 633758910 /nfs/dbraw/zinc/75/89/10/633758910.db2.gz DRGVWXXYLBJEJG-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccnc(F)c2)CC1 ZINC000997507005 633816186 /nfs/dbraw/zinc/81/61/86/633816186.db2.gz DPXDOCCYJOZCQS-ZDUSSCGKSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C(F)(F)F)CCC2)C1 ZINC001027466194 633835259 /nfs/dbraw/zinc/83/52/59/633835259.db2.gz KADBHDXABRQHRE-LBPRGKRZSA-N 0 3 302.340 2.275 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3cccnn32)C(C)(C)C1 ZINC000977271125 633902967 /nfs/dbraw/zinc/90/29/67/633902967.db2.gz FHCUJAUCFXBTJI-MRXNPFEDSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccn3ccnc23)C(C)(C)C1 ZINC000977317095 633913402 /nfs/dbraw/zinc/91/34/02/633913402.db2.gz NYVRVTJSLRZSRE-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000997686184 633932977 /nfs/dbraw/zinc/93/29/77/633932977.db2.gz IPVRAFYQSMJTBK-QGTPRVQTSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)ccc(F)c2OC)C1 ZINC001027520557 633976356 /nfs/dbraw/zinc/97/63/56/633976356.db2.gz OYPCGNQAAXFNBH-GFCCVEGCSA-N 0 3 322.355 2.143 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)C(C)(C)C1 ZINC000977453963 633992999 /nfs/dbraw/zinc/99/29/99/633992999.db2.gz BMQMLXRHGLVJBM-MRXNPFEDSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nn(C)c3ccccc32)CC1 ZINC000997834123 634004352 /nfs/dbraw/zinc/00/43/52/634004352.db2.gz CBVXHVLHNORMPL-AWEZNQCLSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccnc(F)c2)CC1 ZINC000997950749 634075467 /nfs/dbraw/zinc/07/54/67/634075467.db2.gz SVYZBGYDTDBRRZ-OAHLLOKOSA-N 0 3 303.381 2.171 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001027546632 634082849 /nfs/dbraw/zinc/08/28/49/634082849.db2.gz NEBXWZCCQIJQEW-ROUUACIJSA-N 0 3 313.445 2.377 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cnn(CC)c2)CC1 ZINC000997977460 634087139 /nfs/dbraw/zinc/08/71/39/634087139.db2.gz QKNUHSYNSDZXIJ-QGZVFWFLSA-N 0 3 316.449 2.243 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC001027555657 634115238 /nfs/dbraw/zinc/11/52/38/634115238.db2.gz RAZRGSLNHVNHOF-INIZCTEOSA-N 0 3 304.821 2.439 20 30 DEEDHN C#Cc1cncc(C(=O)N(CC)[C@@H]2CCCN(CC#CC)CC2)c1 ZINC000998115489 634146336 /nfs/dbraw/zinc/14/63/36/634146336.db2.gz KNRBCFNOXPCWHL-LJQANCHMSA-N 0 3 323.440 2.403 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000998137014 634151543 /nfs/dbraw/zinc/15/15/43/634151543.db2.gz WGWFRRQVZVHXNB-HNNXBMFYSA-N 0 3 315.417 2.045 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OC)cc1Cl ZINC000125590456 634192462 /nfs/dbraw/zinc/19/24/62/634192462.db2.gz LRWAJSMYNFMTCV-SCZZXKLOSA-N 0 3 310.737 2.031 20 30 DEEDHN C=C(C)CN[C@H]1CN(C(=O)c2cnco2)CC[C@@H]1C(F)(F)F ZINC000998277083 634196868 /nfs/dbraw/zinc/19/68/68/634196868.db2.gz NJIZPHLUGSIYJL-QWRGUYRKSA-N 0 3 317.311 2.233 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(OCC)c2)C1 ZINC001027595588 634243214 /nfs/dbraw/zinc/24/32/14/634243214.db2.gz CCSTVFJBESZXGC-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2noc3c2CCCCC3)C1 ZINC001027600064 634250113 /nfs/dbraw/zinc/25/01/13/634250113.db2.gz WTRHGFHWQINYOB-CQSZACIVSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001027614944 634292405 /nfs/dbraw/zinc/29/24/05/634292405.db2.gz JDUZRFIDCPGAQK-NVXWUHKLSA-N 0 3 312.413 2.109 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)nc3C(C)C)[C@@H]2C1 ZINC000978561705 634359533 /nfs/dbraw/zinc/35/95/33/634359533.db2.gz WUYISRCIFWDPOX-OSYLJGHBSA-N 0 3 311.429 2.054 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027878836 634848407 /nfs/dbraw/zinc/84/84/07/634848407.db2.gz IYAJUQKGNDAKCX-HUUCEWRRSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC001027883448 634860170 /nfs/dbraw/zinc/86/01/70/634860170.db2.gz MACYJVFEZGRZFU-HNNXBMFYSA-N 0 3 315.417 2.153 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ncccn3)C[C@H]2C1 ZINC000980210578 634897376 /nfs/dbraw/zinc/89/73/76/634897376.db2.gz PTVNSFLDNKUOBT-IHRRRGAJSA-N 0 3 320.824 2.059 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001027902388 634917221 /nfs/dbraw/zinc/91/72/21/634917221.db2.gz OVYUNUNZHUASES-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001027902388 634917225 /nfs/dbraw/zinc/91/72/25/634917225.db2.gz OVYUNUNZHUASES-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001027903428 634922713 /nfs/dbraw/zinc/92/27/13/634922713.db2.gz HIVOKPJFMYSFRI-GFCCVEGCSA-N 0 3 310.829 2.327 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(OC)cccc2OC)C1 ZINC000980267987 634923183 /nfs/dbraw/zinc/92/31/83/634923183.db2.gz XXFSDWPXBIHFRB-CYBMUJFWSA-N 0 3 304.390 2.036 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001027921528 634968865 /nfs/dbraw/zinc/96/88/65/634968865.db2.gz RCJACTHFHCXOPT-OAHLLOKOSA-N 0 3 316.449 2.164 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(OCC)c(OC)c2)C1 ZINC000980369640 634972499 /nfs/dbraw/zinc/97/24/99/634972499.db2.gz LEWOUYFAHUHCPE-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000980375194 634975468 /nfs/dbraw/zinc/97/54/68/634975468.db2.gz SWXGMKWSJOTXMW-INIZCTEOSA-N 0 3 315.417 2.042 20 30 DEEDHN C=C(CO)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000837091303 650163522 /nfs/dbraw/zinc/16/35/22/650163522.db2.gz PMZFLWOQYQGQQB-UHFFFAOYSA-N 0 3 324.808 2.300 20 30 DEEDHN C[C@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)c1ccon1 ZINC000980408702 634990405 /nfs/dbraw/zinc/99/04/05/634990405.db2.gz AIECDJDRTUBVHI-KBPBESRZSA-N 0 3 324.384 2.187 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001027929135 634991245 /nfs/dbraw/zinc/99/12/45/634991245.db2.gz CPRFLMILAVBRKU-INIZCTEOSA-N 0 3 316.449 2.462 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccc(OC)o3)CC2)CC1 ZINC001000303147 635135422 /nfs/dbraw/zinc/13/54/22/635135422.db2.gz CJRJIPKWYMXRMS-UHFFFAOYSA-N 0 3 316.401 2.286 20 30 DEEDHN COc1cc(OC)cc([C@@H](O)CNCc2csc(C#N)c2)c1 ZINC000921752998 635138169 /nfs/dbraw/zinc/13/81/69/635138169.db2.gz SLZASIYVBIQUCS-INIZCTEOSA-N 0 3 318.398 2.460 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001000334870 635145418 /nfs/dbraw/zinc/14/54/18/635145418.db2.gz IBAZFMHCXMIYJN-KGLIPLIRSA-N 0 3 310.829 2.167 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001028008891 635235562 /nfs/dbraw/zinc/23/55/62/635235562.db2.gz FSWVEFHFWACFLU-IAGOWNOFSA-N 0 3 314.429 2.394 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)C#CC3CC3)c(C)c2)CC1 ZINC000837316822 650184936 /nfs/dbraw/zinc/18/49/36/650184936.db2.gz OCVSSVUFMSPEEC-UHFFFAOYSA-N 0 3 311.429 2.489 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@H](NC(=O)c2cocn2)C1 ZINC000980966265 635260888 /nfs/dbraw/zinc/26/08/88/635260888.db2.gz RKEYJARHRGNTDI-HOTGVXAUSA-N 0 3 324.384 2.377 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001028025033 635284184 /nfs/dbraw/zinc/28/41/84/635284184.db2.gz BOQUJQRYIDWKQV-GDBMZVCRSA-N 0 3 318.392 2.143 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnn3c2ccc(C)c3C)CC1 ZINC001000791966 635303641 /nfs/dbraw/zinc/30/36/41/635303641.db2.gz TVDGDHHXALZZQC-UHFFFAOYSA-N 0 3 324.428 2.499 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc(COC)c2)CC1 ZINC001000912917 635341559 /nfs/dbraw/zinc/34/15/59/635341559.db2.gz BMYOZQGYGXETIN-UHFFFAOYSA-N 0 3 300.402 2.381 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC001001000768 635375441 /nfs/dbraw/zinc/37/54/41/635375441.db2.gz YUQSCKGVITVUEG-UHFFFAOYSA-N 0 3 312.373 2.218 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC001001080731 635401337 /nfs/dbraw/zinc/40/13/37/635401337.db2.gz PEYNJFQXLOVZPA-CZUORRHYSA-N 0 3 314.433 2.010 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn(C)nc2C(C)C)CC1 ZINC001001438336 635503850 /nfs/dbraw/zinc/50/38/50/635503850.db2.gz GQKJACMZPCCGNN-UHFFFAOYSA-N 0 3 302.422 2.091 20 30 DEEDHN C=CCCN1CCCN(C(=O)C(C)(C)c2cccnc2)CC1 ZINC000981514574 635512092 /nfs/dbraw/zinc/51/20/92/635512092.db2.gz ZUENDOHSQCTFJG-UHFFFAOYSA-N 0 3 301.434 2.470 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(OC)c(F)c2)CC1 ZINC001001497960 635512356 /nfs/dbraw/zinc/51/23/56/635512356.db2.gz XJHFDEALEPWBCR-UHFFFAOYSA-N 0 3 318.392 2.299 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3c(c2)ncn3C)CC1 ZINC001001553200 635526341 /nfs/dbraw/zinc/52/63/41/635526341.db2.gz GDULWZOSPLJWDB-UHFFFAOYSA-N 0 3 324.428 2.038 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2ccc3cnccc3c2)CC1 ZINC000981609301 635553189 /nfs/dbraw/zinc/55/31/89/635553189.db2.gz YYYGVBFSSUCOAA-UHFFFAOYSA-N 0 3 321.424 2.335 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ncsc2C2CC2)CC1 ZINC001001827080 635557068 /nfs/dbraw/zinc/55/70/68/635557068.db2.gz CAKVNGBPSROWHE-UHFFFAOYSA-N 0 3 317.458 2.486 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000981622409 635562008 /nfs/dbraw/zinc/56/20/08/635562008.db2.gz RPKSEEAEFCHUPN-UHFFFAOYSA-N 0 3 307.463 2.495 20 30 DEEDHN CN(C)C[C@H]1CN(C(=O)C#CC(C)(C)C)c2ccccc2O1 ZINC000837469812 650202337 /nfs/dbraw/zinc/20/23/37/650202337.db2.gz CRYZSBNMPIRMOH-AWEZNQCLSA-N 0 3 300.402 2.392 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2oc(CCC)nc2C)CC1 ZINC001002047117 635605203 /nfs/dbraw/zinc/60/52/03/635605203.db2.gz VOWKMIHBQDQVQP-UHFFFAOYSA-N 0 3 303.406 2.011 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCO[C@H]3CC)C2)C1 ZINC000981806042 635662084 /nfs/dbraw/zinc/66/20/84/635662084.db2.gz HFLOODCJXFLVAJ-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@H](C)n3ccc(C)n3)C2)C1 ZINC000981930551 635739368 /nfs/dbraw/zinc/73/93/68/635739368.db2.gz NUGLGTDSESGWJB-INIZCTEOSA-N 0 3 316.449 2.253 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001028178948 635778367 /nfs/dbraw/zinc/77/83/67/635778367.db2.gz ZTSVFXQVUMYPKA-ZDUSSCGKSA-N 0 3 306.431 2.283 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnn(C)c3C(F)F)C2)C1 ZINC000982109085 635874102 /nfs/dbraw/zinc/87/41/02/635874102.db2.gz XKQUZOHHNBJZME-UHFFFAOYSA-N 0 3 324.375 2.082 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)C[C@@H]3CCCO3)C2)C1 ZINC000982166767 635894279 /nfs/dbraw/zinc/89/42/79/635894279.db2.gz NICOPDYWBADCAZ-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC001003055555 635896334 /nfs/dbraw/zinc/89/63/34/635896334.db2.gz ISFSFWVCZAPMAN-DLBZAZTESA-N 0 3 316.449 2.381 20 30 DEEDHN C=C(Cl)CN1CCC(NC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC001003236098 635927755 /nfs/dbraw/zinc/92/77/55/635927755.db2.gz AGOPCQZVHJPSEJ-UHFFFAOYSA-N 0 3 322.840 2.235 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC(F)(F)C3)C[C@]2(C)C1 ZINC000982294068 635952265 /nfs/dbraw/zinc/95/22/65/635952265.db2.gz YDUGZCIPHUFZBX-CWRNSKLLSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cn(CCCC)nc1C ZINC001028253446 635963327 /nfs/dbraw/zinc/96/33/27/635963327.db2.gz YMWUVHOWDKQTIK-INIZCTEOSA-N 0 3 316.449 2.209 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000922246031 636031691 /nfs/dbraw/zinc/03/16/91/636031691.db2.gz CTTVSGAFRPZJIA-UKRRQHHQSA-N 0 3 306.431 2.230 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001028289443 636073905 /nfs/dbraw/zinc/07/39/05/636073905.db2.gz WTYMQIZCRYPMQR-LBPRGKRZSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001028289739 636080443 /nfs/dbraw/zinc/08/04/43/636080443.db2.gz ITNMXJTWSOOKGQ-GJZGRUSLSA-N 0 3 316.449 2.236 20 30 DEEDHN Cc1cc(C(=O)NC[C@H]2CCN(Cc3cccc(C#N)c3)C2)no1 ZINC001028390743 636169554 /nfs/dbraw/zinc/16/95/54/636169554.db2.gz GSDHZJGOHYCGHR-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN Cn1ccc(C(=O)NC[C@H]2CCN(Cc3ccc(C#N)cc3)C2)c1 ZINC001028476343 636237564 /nfs/dbraw/zinc/23/75/64/636237564.db2.gz AYYKRUKDHWDXCF-QGZVFWFLSA-N 0 3 322.412 2.149 20 30 DEEDHN CCN1CCC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)C1=O ZINC000922640204 636295274 /nfs/dbraw/zinc/29/52/74/636295274.db2.gz QXBUXYRGDJLEGA-CJNGLKHVSA-N 0 3 301.390 2.078 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001028567667 636344957 /nfs/dbraw/zinc/34/49/57/636344957.db2.gz ZOHDHYOVPBESRN-HNNXBMFYSA-N 0 3 307.397 2.228 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cnn(C(F)F)c3)C[C@]2(C)C1 ZINC000982680920 636365551 /nfs/dbraw/zinc/36/55/51/636365551.db2.gz WLKYWGYXQPSDLF-IYBDPMFKSA-N 0 3 324.375 2.248 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001028578551 636366088 /nfs/dbraw/zinc/36/60/88/636366088.db2.gz QQQKZIPDFPACRX-OAHLLOKOSA-N 0 3 316.449 2.022 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@@]3(C)C(C)C)C[C@]2(C)C1 ZINC000982689798 636370884 /nfs/dbraw/zinc/37/08/84/636370884.db2.gz ILBUCWQSVJXDRD-KANFNMMFSA-N 0 3 302.462 2.472 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2Cc2ccon2)CC1 ZINC001004388665 636406146 /nfs/dbraw/zinc/40/61/46/636406146.db2.gz QGTGBCSSMIMFNI-BBRMVZONSA-N 0 3 316.405 2.037 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN(Cc3cnn(C)c3)C2)CC1 ZINC001028780072 636731006 /nfs/dbraw/zinc/73/10/06/636731006.db2.gz CSLMUPIFIODJBF-HNNXBMFYSA-N 0 3 316.449 2.105 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c(C3CCC3)cnn2C)CC1 ZINC001005419952 636737092 /nfs/dbraw/zinc/73/70/92/636737092.db2.gz ZZCNQWZHQSUTBR-UHFFFAOYSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001028858732 636795317 /nfs/dbraw/zinc/79/53/17/636795317.db2.gz MQJWDKVIRMEWLP-VNQPRFMTSA-N 0 3 300.377 2.001 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(OC)c(C)c2)C1 ZINC001028869814 636802154 /nfs/dbraw/zinc/80/21/54/636802154.db2.gz GBFLBHARLLPPJK-HNNXBMFYSA-N 0 3 300.402 2.079 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccccc2OCC(C)C)C1 ZINC001028873021 636804108 /nfs/dbraw/zinc/80/41/08/636804108.db2.gz LNHNYSUFGFVYSX-INIZCTEOSA-N 0 3 314.429 2.406 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC001028969807 636909458 /nfs/dbraw/zinc/90/94/58/636909458.db2.gz IGCLEVIGRGNAKB-CYBMUJFWSA-N 0 3 302.443 2.312 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC001005969582 637012336 /nfs/dbraw/zinc/01/23/36/637012336.db2.gz POKMMTHNTGFFPZ-UHFFFAOYSA-N 0 3 312.364 2.460 20 30 DEEDHN C=CCOCCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894431138 637034548 /nfs/dbraw/zinc/03/45/48/637034548.db2.gz NILPNHIKDLIGGV-UHFFFAOYSA-N 0 3 320.364 2.396 20 30 DEEDHN CC(=O)N[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000946931431 637285021 /nfs/dbraw/zinc/28/50/21/637285021.db2.gz DLHJCJLCJODZQT-XJKSGUPXSA-N 0 3 301.390 2.078 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn(CC3CC3)c2)CC1 ZINC001006259982 637298562 /nfs/dbraw/zinc/29/85/62/637298562.db2.gz RCYLITWXXSTKSX-UHFFFAOYSA-N 0 3 316.449 2.406 20 30 DEEDHN C=CCC1(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000838303030 637521458 /nfs/dbraw/zinc/52/14/58/637521458.db2.gz RSHVMAYDIVGMDM-HOTGVXAUSA-N 0 3 321.465 2.428 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029312202 637592878 /nfs/dbraw/zinc/59/28/78/637592878.db2.gz VOBGRSPEZOVUNO-QXSJWSMHSA-N 0 3 310.413 2.002 20 30 DEEDHN C[C@@H](CCC#N)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000839498049 637896443 /nfs/dbraw/zinc/89/64/43/637896443.db2.gz PSWZHBHLSZJYSP-HNNXBMFYSA-N 0 3 324.469 2.163 20 30 DEEDHN C#CC1(O)CCN(Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000895385837 637991840 /nfs/dbraw/zinc/99/18/40/637991840.db2.gz MGGSAAPKQDYMPQ-HNNXBMFYSA-N 0 3 303.402 2.060 20 30 DEEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)o1 ZINC000744023976 638185672 /nfs/dbraw/zinc/18/56/72/638185672.db2.gz NNPOHYWMDKHSAW-ZIAGYGMSSA-N 0 3 320.389 2.332 20 30 DEEDHN C#CCN(CC#CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000744410564 638218881 /nfs/dbraw/zinc/21/88/81/638218881.db2.gz NUFGTNZVAWAVFT-AWEZNQCLSA-N 0 3 321.405 2.431 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC000748316379 638540131 /nfs/dbraw/zinc/54/01/31/638540131.db2.gz BLKBHODNIFHPGS-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001029480852 638599808 /nfs/dbraw/zinc/59/98/08/638599808.db2.gz NKHDNHOEAWDTSQ-LJIZCISZSA-N 0 3 310.413 2.001 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)O[C@H](C)C#N)cc2)CC1 ZINC000749286521 638632324 /nfs/dbraw/zinc/63/23/24/638632324.db2.gz QQBCEQWZDPPHTG-CQSZACIVSA-N 0 3 301.390 2.286 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000896884807 638758758 /nfs/dbraw/zinc/75/87/58/638758758.db2.gz VLFJKWWFIDOPJT-XJKSGUPXSA-N 0 3 303.406 2.495 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCN2CCO[C@H](C)C2)c([O-])c1 ZINC000750950225 639047298 /nfs/dbraw/zinc/04/72/98/639047298.db2.gz QPEUHEDHVJTQIZ-DQPIFXJKSA-N 0 3 319.449 2.378 20 30 DEEDHN COc1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000752154472 639159394 /nfs/dbraw/zinc/15/93/94/639159394.db2.gz GLPJNZNZLNLMCJ-NSHDSACASA-N 0 3 306.325 2.467 20 30 DEEDHN C[C@H]1C[C@H](NC(=S)Nc2ccccc2C#N)CN1C1CC1 ZINC000753963951 639367997 /nfs/dbraw/zinc/36/79/97/639367997.db2.gz QUUALIRYRPAGKX-AAEUAGOBSA-N 0 3 300.431 2.470 20 30 DEEDHN N#Cc1csc(CN[C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000754079615 639382397 /nfs/dbraw/zinc/38/23/97/639382397.db2.gz JNHCDBAAIHTQNP-ZBFHGGJFSA-N 0 3 302.399 2.194 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2C)C[C@@H]1C ZINC000947816215 639436651 /nfs/dbraw/zinc/43/66/51/639436651.db2.gz ZIJXORDTERWYGL-BBRMVZONSA-N 0 3 316.449 2.126 20 30 DEEDHN CN(CC(=O)NCCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000755274873 639537062 /nfs/dbraw/zinc/53/70/62/639537062.db2.gz CTPFMSMGDKENTL-JKSUJKDBSA-N 0 3 319.380 2.007 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)nc1 ZINC000728862567 639547562 /nfs/dbraw/zinc/54/75/62/639547562.db2.gz AKIWDHGFHFOKTD-UHFFFAOYSA-N 0 3 307.397 2.267 20 30 DEEDHN CC#CCCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000755472958 639553895 /nfs/dbraw/zinc/55/38/95/639553895.db2.gz LSGFSEKKPOPXIV-UHFFFAOYSA-N 0 3 314.433 2.363 20 30 DEEDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000756049056 639619380 /nfs/dbraw/zinc/61/93/80/639619380.db2.gz CMDUYTGPFPJVPU-CJNGLKHVSA-N 0 3 303.406 2.228 20 30 DEEDHN C=C(C)[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)OCC ZINC000756519063 639668357 /nfs/dbraw/zinc/66/83/57/639668357.db2.gz BGVGLUKRSLTIFT-OCCSQVGLSA-N 0 3 301.346 2.100 20 30 DEEDHN C=C(C)[C@H](CO)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679979 639805253 /nfs/dbraw/zinc/80/52/53/639805253.db2.gz QJSKUZOLFHDUIH-YOEHRIQHSA-N 0 3 310.438 2.399 20 30 DEEDHN N=C(N)NN=Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000758097336 639913861 /nfs/dbraw/zinc/91/38/61/639913861.db2.gz BKGBTYTUJOICAU-UHFFFAOYSA-N 0 3 309.089 2.285 20 30 DEEDHN N=C(N)NN=C1CCc2c1cc(Br)cc2Cl ZINC000758098063 639914682 /nfs/dbraw/zinc/91/46/82/639914682.db2.gz MYOXVUPYDSYAHA-UHFFFAOYSA-N 0 3 301.575 2.236 20 30 DEEDHN C#CCNC(=S)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000758242820 639935357 /nfs/dbraw/zinc/93/53/57/639935357.db2.gz YWTXFRYGLQIFFO-INIZCTEOSA-N 0 3 301.459 2.091 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3ccccn3)[C@H]2C)cc1 ZINC000986639097 639963361 /nfs/dbraw/zinc/96/33/61/639963361.db2.gz ZAPBYWZJYNVXOS-BEFAXECRSA-N 0 3 319.408 2.456 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3cncn3C)[C@H]2C)CC1 ZINC000986854119 640000179 /nfs/dbraw/zinc/00/01/79/640000179.db2.gz MSIGZGXDZQMLNK-RHSMWYFYSA-N 0 3 316.449 2.246 20 30 DEEDHN COc1cccc(CO[C@@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760337806 640181243 /nfs/dbraw/zinc/18/12/43/640181243.db2.gz BWAZWWATJJOZAV-WFASDCNBSA-N 0 3 311.341 2.267 20 30 DEEDHN C#CCCCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000760484108 640198211 /nfs/dbraw/zinc/19/82/11/640198211.db2.gz IKTHMPVIOPJXOB-UHFFFAOYSA-N 0 3 300.402 2.385 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCc1cccc(Br)c1 ZINC000761046031 640258627 /nfs/dbraw/zinc/25/86/27/640258627.db2.gz AMLPKHXRRUCJTK-LBPRGKRZSA-N 0 3 323.190 2.227 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)[C@@H]3C[C@H](C)CCN3C2=O)CC1 ZINC000761251741 640289721 /nfs/dbraw/zinc/28/97/21/640289721.db2.gz HVORMEJODDCKJL-HIFRSBDPSA-N 0 3 305.422 2.090 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)CC1 ZINC000761255124 640290592 /nfs/dbraw/zinc/29/05/92/640290592.db2.gz LKCUXHTYQZRBRY-BPUTZDHNSA-N 0 3 317.433 2.090 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)CC1 ZINC000761255128 640290717 /nfs/dbraw/zinc/29/07/17/640290717.db2.gz LKCUXHTYQZRBRY-IMJJTQAJSA-N 0 3 317.433 2.090 20 30 DEEDHN CC(C)C(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000988133083 640351815 /nfs/dbraw/zinc/35/18/15/640351815.db2.gz KNVQUYVGWNSGJK-DOMZBBRYSA-N 0 3 303.381 2.432 20 30 DEEDHN CCCCCCC[C@@H](C)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000763011392 640491019 /nfs/dbraw/zinc/49/10/19/640491019.db2.gz KDDVTRSTEZEYTL-WBVHZDCISA-N 0 3 313.486 2.349 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@](F)(C#N)C2)cc1 ZINC000897516890 640530281 /nfs/dbraw/zinc/53/02/81/640530281.db2.gz MNLDFUXVRDJXPP-NVXWUHKLSA-N 0 3 319.380 2.198 20 30 DEEDHN C#Cc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000841907854 650599233 /nfs/dbraw/zinc/59/92/33/650599233.db2.gz GCZLLFOWBDDRKM-IBGZPJMESA-N 0 3 319.408 2.354 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000989034145 640707875 /nfs/dbraw/zinc/70/78/75/640707875.db2.gz BTMRXEOVGJYJNB-CZUORRHYSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC000989031815 640707933 /nfs/dbraw/zinc/70/79/33/640707933.db2.gz BFGOOZBXIIRNLD-ZFWWWQNUSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC000989071141 640716748 /nfs/dbraw/zinc/71/67/48/640716748.db2.gz WKMCDYAEZCJROY-QWHCGFSZSA-N 0 3 313.376 2.441 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccccc2OCC)C1 ZINC000989116760 640726757 /nfs/dbraw/zinc/72/67/57/640726757.db2.gz ZXKSBLJPMNGVJZ-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)cc3cccnc32)C1 ZINC000989515856 641133301 /nfs/dbraw/zinc/13/33/01/641133301.db2.gz XALMVCZAUMSZFR-IUODEOHRSA-N 0 3 311.360 2.200 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC000989523941 641134487 /nfs/dbraw/zinc/13/44/87/641134487.db2.gz VALUANFQVIGMND-UONOGXRCSA-N 0 3 302.422 2.070 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000989555917 641144392 /nfs/dbraw/zinc/14/43/92/641144392.db2.gz NFVFIKYLDJHFNE-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnn3c2C[C@@H](C)CC3)CC1 ZINC000989574014 641150833 /nfs/dbraw/zinc/15/08/33/641150833.db2.gz FRRBSMGJXDHZNX-HNNXBMFYSA-N 0 3 316.449 2.189 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc3c(cn2)OCCC3)CC1 ZINC000989571807 641152905 /nfs/dbraw/zinc/15/29/05/641152905.db2.gz BPLDGYPAIJNITN-UHFFFAOYSA-N 0 3 315.417 2.131 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C3CCCC3)c2C)C1 ZINC000989660561 641187240 /nfs/dbraw/zinc/18/72/40/641187240.db2.gz KKZSSJHDGIZXFG-UKRRQHHQSA-N 0 3 314.433 2.132 20 30 DEEDHN C[C@@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000769913608 641308059 /nfs/dbraw/zinc/30/80/59/641308059.db2.gz OJMPOCHAXPDCNL-VXGBXAGGSA-N 0 3 315.398 2.193 20 30 DEEDHN CC[C@H](OC)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000990183583 641382992 /nfs/dbraw/zinc/38/29/92/641382992.db2.gz IMRHOVCIFOVIHK-KRWDZBQOSA-N 0 3 315.417 2.064 20 30 DEEDHN CN1CCN(c2ccc(C=NOCc3cccnc3)cc2)CC1 ZINC000771557271 641525076 /nfs/dbraw/zinc/52/50/76/641525076.db2.gz ALKLPIRQIZQOON-UHFFFAOYSA-N 0 3 310.401 2.384 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CN1CCc2ccccc21 ZINC000772642583 641667800 /nfs/dbraw/zinc/66/78/00/641667800.db2.gz GWPYQOODYUJCQI-HNNXBMFYSA-N 0 3 313.401 2.064 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000773008726 641716458 /nfs/dbraw/zinc/71/64/58/641716458.db2.gz XWRMRDYEMSWYRF-GDBMZVCRSA-N 0 3 300.402 2.359 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(CC#CC)CC2 ZINC000990741646 641855574 /nfs/dbraw/zinc/85/55/74/641855574.db2.gz NHVYODXJNVQZKE-SFNKJDCFSA-N 0 3 316.445 2.104 20 30 DEEDHN CCCCCCCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000774772870 641964243 /nfs/dbraw/zinc/96/42/43/641964243.db2.gz NRMFQJYBTFVBDL-MRXNPFEDSA-N 0 3 323.481 2.160 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CCC[C@@H]12 ZINC000990765075 641972827 /nfs/dbraw/zinc/97/28/27/641972827.db2.gz SJGANKPWAGXKMC-JRBPQWBISA-N 0 3 323.440 2.322 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000842342613 650714322 /nfs/dbraw/zinc/71/43/22/650714322.db2.gz DOQOUEFOSDFRHP-OCCSQVGLSA-N 0 3 324.327 2.105 20 30 DEEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)CCC1=O ZINC000775530945 642055817 /nfs/dbraw/zinc/05/58/17/642055817.db2.gz FCZPYLCCUBEWLV-BZPMIXESSA-N 0 3 304.390 2.149 20 30 DEEDHN C#C[C@H](NC[C@H](O)COc1ccccc1C(C)C)[C@@H]1CCCO1 ZINC000775786579 642094896 /nfs/dbraw/zinc/09/48/96/642094896.db2.gz YGBFOURGBYEHQE-IEZWGBDMSA-N 0 3 317.429 2.320 20 30 DEEDHN C#C[C@H](NC[C@H](O)COc1cc(C)ccc1Cl)[C@H]1CCCO1 ZINC000775795230 642097879 /nfs/dbraw/zinc/09/78/79/642097879.db2.gz VKPSILJOKCYKBK-CWRNSKLLSA-N 0 3 323.820 2.159 20 30 DEEDHN C=CCC1(O)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000899592393 642115735 /nfs/dbraw/zinc/11/57/35/642115735.db2.gz JQHQTPFGOXDUNI-QGZVFWFLSA-N 0 3 312.429 2.129 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)[C@H]1OC ZINC000775977790 642118258 /nfs/dbraw/zinc/11/82/58/642118258.db2.gz DKMOQHSYUMDXPZ-KKBVYLPWSA-N 0 3 304.390 2.259 20 30 DEEDHN C#CCN(C(=S)NCCc1cccs1)C1CCN(C)CC1 ZINC000899613838 642122713 /nfs/dbraw/zinc/12/27/13/642122713.db2.gz QMBXNDGWVUHRJE-UHFFFAOYSA-N 0 3 321.515 2.195 20 30 DEEDHN COc1ccc(C(C)=NN(C)[C@H](C)CO)cc1CN1CCCC1 ZINC000842543967 650764311 /nfs/dbraw/zinc/76/43/11/650764311.db2.gz CUHQHEVYCDODRJ-CQSZACIVSA-N 0 3 319.449 2.328 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnn3C(F)F)CCC[C@@H]12 ZINC000990890382 642704130 /nfs/dbraw/zinc/70/41/30/642704130.db2.gz IOGFEMDMELAZMW-IUODEOHRSA-N 0 3 310.348 2.191 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C4CC4)nn3C)CCC[C@@H]12 ZINC000990891397 642719892 /nfs/dbraw/zinc/71/98/92/642719892.db2.gz NNLZXMQTSMLOME-SJLPKXTDSA-N 0 3 314.433 2.210 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCSc1ccc(OC)cc1 ZINC000781447028 642753616 /nfs/dbraw/zinc/75/36/16/642753616.db2.gz BGRYJTBYOPUWSV-CYBMUJFWSA-N 0 3 306.387 2.022 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990903047 642791943 /nfs/dbraw/zinc/79/19/43/642791943.db2.gz ARGRKRITUUVJLV-MAUKXSAKSA-N 0 3 314.433 2.132 20 30 DEEDHN N#CCCNC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000842619102 650783936 /nfs/dbraw/zinc/78/39/36/650783936.db2.gz YPKSGRHPFFNFDB-MRXNPFEDSA-N 0 3 317.458 2.414 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C4CC4)n(C)n3)CCC[C@@H]12 ZINC000990973323 642967722 /nfs/dbraw/zinc/96/77/22/642967722.db2.gz MJJDZLNUWHKIGV-SJLPKXTDSA-N 0 3 314.433 2.210 20 30 DEEDHN CN1CCC(NC(=S)NNc2ccc(C#N)c(Cl)c2)CC1 ZINC000783795902 643054748 /nfs/dbraw/zinc/05/47/48/643054748.db2.gz NYXAMUDTOUWHMW-UHFFFAOYSA-N 0 3 323.853 2.097 20 30 DEEDHN C=CCc1cc(OC)cc(CN2CCC[C@H]2C2OCCO2)c1O ZINC000902623263 643088654 /nfs/dbraw/zinc/08/86/54/643088654.db2.gz VXBFKGBTAKRVEB-INIZCTEOSA-N 0 3 319.401 2.467 20 30 DEEDHN CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1ccncn1 ZINC000842758772 650818679 /nfs/dbraw/zinc/81/86/79/650818679.db2.gz PEQMPVGSDDLXIP-WCQYABFASA-N 0 3 303.362 2.267 20 30 DEEDHN C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1cc(C#N)ccn1 ZINC000902837579 643158551 /nfs/dbraw/zinc/15/85/51/643158551.db2.gz ZHFQVWCKQIYICM-OCCSQVGLSA-N 0 3 311.364 2.417 20 30 DEEDHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3cc(C#N)ccn3)C2)n(C)n1 ZINC000902972853 643215745 /nfs/dbraw/zinc/21/57/45/643215745.db2.gz JQHDQNOSDXEBFC-GDBMZVCRSA-N 0 3 324.432 2.315 20 30 DEEDHN C=C[C@@H]1CCCCN1CCCN1C(=O)CS/C1=C\C(=O)OC ZINC000785998966 643309748 /nfs/dbraw/zinc/30/97/48/643309748.db2.gz ORVXSBVMZYIKOL-LKKYZFDUSA-N 0 3 324.446 2.007 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786313871 643350885 /nfs/dbraw/zinc/35/08/85/643350885.db2.gz YDDBOWSYPWAPNN-STQMWFEESA-N 0 3 316.357 2.159 20 30 DEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786537911 643381120 /nfs/dbraw/zinc/38/11/20/643381120.db2.gz BVRKEYFARZEQRC-MRXNPFEDSA-N 0 3 310.353 2.464 20 30 DEEDHN COCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786567161 643386212 /nfs/dbraw/zinc/38/62/12/643386212.db2.gz AJSQSSNVTUBPHF-LBPRGKRZSA-N 0 3 324.327 2.107 20 30 DEEDHN Cc1sccc1CC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000786927572 643429802 /nfs/dbraw/zinc/42/98/02/643429802.db2.gz FCJDAHFDHCHENM-CQSZACIVSA-N 0 3 322.430 2.239 20 30 DEEDHN C[C@@H](Cc1cncc2ccccc21)C(=O)C(C#N)C(=O)NC1CC1 ZINC000805856237 643553527 /nfs/dbraw/zinc/55/35/27/643553527.db2.gz SIDZDOXEZKHEHC-YVEFUNNKSA-N 0 3 321.380 2.401 20 30 DEEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccccc2OC)C1 ZINC000805856623 643554837 /nfs/dbraw/zinc/55/48/37/643554837.db2.gz ZIQPENQRJYYADQ-BPCQOVAHSA-N 0 3 316.357 2.158 20 30 DEEDHN COCC#CCN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789310288 643715166 /nfs/dbraw/zinc/71/51/66/643715166.db2.gz ACJBOFFYRUSGOC-UHFFFAOYSA-N 0 3 308.809 2.476 20 30 DEEDHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CNCC1(C#N)CCC1 ZINC000905287431 643858191 /nfs/dbraw/zinc/85/81/91/643858191.db2.gz FAXCZKRTXJWEII-WMLDXEAASA-N 0 3 308.422 2.144 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2[N@H+](C)CCCC2(C)C)c1[O-] ZINC000790599363 643870525 /nfs/dbraw/zinc/87/05/25/643870525.db2.gz WTWLPWOGHKLJJL-UPAIAECRSA-N 0 3 305.422 2.127 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2[N@@H+](C)CCCC2(C)C)c1[O-] ZINC000790599363 643870530 /nfs/dbraw/zinc/87/05/30/643870530.db2.gz WTWLPWOGHKLJJL-UPAIAECRSA-N 0 3 305.422 2.127 20 30 DEEDHN C=C(CO)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000791300019 643951437 /nfs/dbraw/zinc/95/14/37/643951437.db2.gz VXKZURHNOWZEIW-AWEZNQCLSA-N 0 3 308.447 2.186 20 30 DEEDHN N#Cc1ccc([C@@H](O)CNCc2cnn(CC3CCC3)c2)cc1 ZINC000905639906 643991845 /nfs/dbraw/zinc/99/18/45/643991845.db2.gz HTNHOTHGYLSHIA-SFHVURJKSA-N 0 3 310.401 2.378 20 30 DEEDHN C[C@H](COCC1CCCCC1)N[C@@H](C)C(=O)N(C)CCC#N ZINC000905858481 644061620 /nfs/dbraw/zinc/06/16/20/644061620.db2.gz KZDVJOXGTGAPMH-CABCVRRESA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000905868130 644065915 /nfs/dbraw/zinc/06/59/15/644065915.db2.gz QAGPADIJOZYKCP-OUJBWJOFSA-N 0 3 319.430 2.060 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2ccsc2C#N)C[C@@H](C)O1 ZINC000906931415 644390019 /nfs/dbraw/zinc/39/00/19/644390019.db2.gz XBRKJMAIDJCWLH-CHWSQXEVSA-N 0 3 321.446 2.239 20 30 DEEDHN C#CCC(C)(C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794592891 644441725 /nfs/dbraw/zinc/44/17/25/644441725.db2.gz LJIVPSCZNHEJLP-INIZCTEOSA-N 0 3 300.402 2.241 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000797071053 644834157 /nfs/dbraw/zinc/83/41/57/644834157.db2.gz PNEHRTLCBFODAM-ZIAGYGMSSA-N 0 3 321.442 2.315 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000798177084 644978698 /nfs/dbraw/zinc/97/86/98/644978698.db2.gz AMKUWSMOXFRTGF-HNAYVOBHSA-N 0 3 319.408 2.313 20 30 DEEDHN C#CCCCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC ZINC000908879530 645024158 /nfs/dbraw/zinc/02/41/58/645024158.db2.gz WUAVLGJSTZOVBA-CABCVRRESA-N 0 3 303.454 2.173 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000798544987 645035308 /nfs/dbraw/zinc/03/53/08/645035308.db2.gz NGPJTMRPYUBVLQ-NJAFHUGGSA-N 0 3 313.445 2.464 20 30 DEEDHN Cn1cc2c(n1)CCC[C@@H]2C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000798817318 645082543 /nfs/dbraw/zinc/08/25/43/645082543.db2.gz WUGLLUOHUYJBHX-KBPBESRZSA-N 0 3 322.368 2.188 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccn(CC(F)F)n3)CCC[C@H]12 ZINC000991237855 645332076 /nfs/dbraw/zinc/33/20/76/645332076.db2.gz BFPWWTSXTFFUAM-BBRMVZONSA-N 0 3 324.375 2.061 20 30 DEEDHN CCN1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@H](C)C1 ZINC000910269457 645379522 /nfs/dbraw/zinc/37/95/22/645379522.db2.gz GFZBQRCASGYORC-LLVKDONJSA-N 0 3 307.344 2.393 20 30 DEEDHN Cc1cc(C(=O)NC2CCN(CCO[C@@H](C)C#N)CC2)c(C)o1 ZINC000801917441 645461681 /nfs/dbraw/zinc/46/16/81/645461681.db2.gz CSUVMIRSLZZIRS-ZDUSSCGKSA-N 0 3 319.405 2.019 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc(CC)cs2)CC1 ZINC000910721804 645534313 /nfs/dbraw/zinc/53/43/13/645534313.db2.gz FHZMKNZKBXNBHV-GFCCVEGCSA-N 0 3 305.447 2.228 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnn1CCN(C)C ZINC000912281506 646007677 /nfs/dbraw/zinc/00/76/77/646007677.db2.gz QFKHZXROEMBNJN-CABCVRRESA-N 0 3 304.438 2.309 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000810614126 646387105 /nfs/dbraw/zinc/38/71/05/646387105.db2.gz BCRIOVAECQNROM-UHFFFAOYSA-N 0 3 321.424 2.196 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2(CCF)CC2)c1 ZINC000810707801 646409068 /nfs/dbraw/zinc/40/90/68/646409068.db2.gz ABWCAAVKGBIFBS-AWEZNQCLSA-N 0 3 302.349 2.460 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc4ccccn34)CCC[C@@H]12 ZINC000991498749 646429049 /nfs/dbraw/zinc/42/90/49/646429049.db2.gz BOFCKKAIEFECJH-QAPCUYQASA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3n[nH]c4c3CCCC4)CCC[C@@H]12 ZINC000991561771 646498637 /nfs/dbraw/zinc/49/86/37/646498637.db2.gz APMKMLOKAVQHPH-CRAIPNDOSA-N 0 3 314.433 2.201 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccn4nccc34)CCC[C@H]12 ZINC000991588642 646523502 /nfs/dbraw/zinc/52/35/02/646523502.db2.gz AJMUNZLJRAZCCX-WMZOPIPTSA-N 0 3 310.401 2.247 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(OC)c2C)C[C@@H]1C ZINC000947754851 646554231 /nfs/dbraw/zinc/55/42/31/646554231.db2.gz VSTNAPUOXIGSQV-ZFWWWQNUSA-N 0 3 300.402 2.220 20 30 DEEDHN N#Cc1ccc2c(c1)C(=NNc1ccc(-n3ccnc3)nn1)CC2 ZINC000811649798 646554418 /nfs/dbraw/zinc/55/44/18/646554418.db2.gz XVXYBIFSJMCBSK-UHFFFAOYSA-N 0 3 315.340 2.296 20 30 DEEDHN C(=NNC[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000811660322 646556776 /nfs/dbraw/zinc/55/67/76/646556776.db2.gz KPZPERKVRDLYQZ-OAHLLOKOSA-N 0 3 305.447 2.200 20 30 DEEDHN C=CCc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813111242 646731590 /nfs/dbraw/zinc/73/15/90/646731590.db2.gz DPHCJPOAZFFVFT-SNVBAGLBSA-N 0 3 309.318 2.254 20 30 DEEDHN CCOCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214642 646747713 /nfs/dbraw/zinc/74/77/13/646747713.db2.gz AZLQIMYJOIZZAX-LLVKDONJSA-N 0 3 316.279 2.330 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173990469 646787348 /nfs/dbraw/zinc/78/73/48/646787348.db2.gz SSAMOMDBJQBYQA-RNFRBKRXSA-N 0 3 315.192 2.069 20 30 DEEDHN COc1ccc(CNCc2ccc(NC(N)=O)cc2)cc1C#N ZINC000174261262 646800427 /nfs/dbraw/zinc/80/04/27/646800427.db2.gz YJZBXTXYVDMKPW-UHFFFAOYSA-N 0 3 310.357 2.347 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cn(C(C)C)cn3)CCC[C@@H]12 ZINC000992016176 646828386 /nfs/dbraw/zinc/82/83/86/646828386.db2.gz XMDRTXANVBDYOO-WBVHZDCISA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc4n3CCCC4)CCC[C@H]12 ZINC000992127397 646864198 /nfs/dbraw/zinc/86/41/98/646864198.db2.gz JAEKDVKKLHOJQM-MAUKXSAKSA-N 0 3 314.433 2.132 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3cc(C4CC4)no3)CCC[C@H]12 ZINC000992273515 646923543 /nfs/dbraw/zinc/92/35/43/646923543.db2.gz QYZOCNQKWSPTFX-WMZOPIPTSA-N 0 3 313.401 2.302 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3cc(C)cc4c[nH]nc43)CCC[C@H]12 ZINC000992332731 646949731 /nfs/dbraw/zinc/94/97/31/646949731.db2.gz UGSVTLCOXVJOMK-QFBILLFUSA-N 0 3 322.412 2.231 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(CC(C)C)c3)CCC[C@H]12 ZINC000992363448 646959016 /nfs/dbraw/zinc/95/90/16/646959016.db2.gz LFGHMBWVTJPCLI-WMZOPIPTSA-N 0 3 316.449 2.452 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4nccn4c3)CCC[C@@H]12 ZINC000992398643 646969801 /nfs/dbraw/zinc/96/98/01/646969801.db2.gz AMOBMEJAOUPGJE-CRAIPNDOSA-N 0 3 310.401 2.247 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3oc(CC)nc3C)CCC[C@@H]12 ZINC000992398642 646970001 /nfs/dbraw/zinc/97/00/01/646970001.db2.gz HFAYPIPWXFETEL-KDOFPFPSSA-N 0 3 315.417 2.296 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC4(C3)CCOCC4)CCC[C@@H]12 ZINC000992432290 646998431 /nfs/dbraw/zinc/99/84/31/646998431.db2.gz PZSXDIIVSQNILO-APWZRJJASA-N 0 3 318.461 2.492 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC000815909585 647064955 /nfs/dbraw/zinc/06/49/55/647064955.db2.gz CSGMVVPVGULKTC-GXTWGEPZSA-N 0 3 324.384 2.042 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3COc4ccccc43)CCC[C@@H]12 ZINC000992523320 647087805 /nfs/dbraw/zinc/08/78/05/647087805.db2.gz QNAAYCIRJBKNRM-ILZDJORESA-N 0 3 324.424 2.299 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC34CCOCC4)CCC[C@H]12 ZINC000992552683 647108279 /nfs/dbraw/zinc/10/82/79/647108279.db2.gz YKNIHVXPOSUURK-RVKKMQEKSA-N 0 3 304.434 2.102 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)NCc2ccc(C)c(C#N)c2)C1 ZINC000914316194 647261237 /nfs/dbraw/zinc/26/12/37/647261237.db2.gz LRTFZSYQYWAGPB-MRXNPFEDSA-N 0 3 300.406 2.150 20 30 DEEDHN CN(C)C(=O)Sc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000818111393 647422405 /nfs/dbraw/zinc/42/24/05/647422405.db2.gz OXQKDLADRFYPPY-ZDUSSCGKSA-N 0 3 320.418 2.420 20 30 DEEDHN CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000818108960 647422508 /nfs/dbraw/zinc/42/25/08/647422508.db2.gz IMGPXKFCXDARFM-LBPRGKRZSA-N 0 3 322.796 2.049 20 30 DEEDHN N#CC(C(=O)CCn1cnc2sccc2c1=O)c1ccccn1 ZINC000915097258 647478737 /nfs/dbraw/zinc/47/87/37/647478737.db2.gz ALZZLAJIWMQFIC-LBPRGKRZSA-N 0 3 324.365 2.120 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000818584558 647483748 /nfs/dbraw/zinc/48/37/48/647483748.db2.gz OSCDIIYHXXSQFD-UHFFFAOYSA-N 0 3 310.401 2.070 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)n1C ZINC000818588709 647483804 /nfs/dbraw/zinc/48/38/04/647483804.db2.gz DBUWGZNGHCYHOL-UHFFFAOYSA-N 0 3 309.413 2.377 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000818599504 647486589 /nfs/dbraw/zinc/48/65/89/647486589.db2.gz UQBNFSWOXFNTBV-UHFFFAOYSA-N 0 3 317.820 2.366 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993346747 647623372 /nfs/dbraw/zinc/62/33/72/647623372.db2.gz HFJRYLQRQVXDTG-WBVHZDCISA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(Cl)cnn2CC)[C@@H]1C ZINC000993371326 647633822 /nfs/dbraw/zinc/63/38/22/647633822.db2.gz XKBNIJDKSNHOQN-GXTWGEPZSA-N 0 3 322.840 2.162 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OCC)nc2)[C@@H]1C ZINC000993397789 647649575 /nfs/dbraw/zinc/64/95/75/647649575.db2.gz QBKBTBMQXILOMC-HOCLYGCPSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nccc3cccnc32)[C@H]1C ZINC000993441264 647670277 /nfs/dbraw/zinc/67/02/77/647670277.db2.gz IVKZCEVSAZDMPJ-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2c(CC)noc2CC)[C@H]1C ZINC000993448616 647670913 /nfs/dbraw/zinc/67/09/13/647670913.db2.gz FSQRKDYDPKLOJP-CZUORRHYSA-N 0 3 319.449 2.497 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H]1C ZINC000993519610 647687990 /nfs/dbraw/zinc/68/79/90/647687990.db2.gz KIJULTGAHPDNSG-GDBMZVCRSA-N 0 3 324.428 2.179 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H]1C ZINC000993572898 647694617 /nfs/dbraw/zinc/69/46/17/647694617.db2.gz PESBUNJHRVQHAU-DZGCQCFKSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OC)cc2F)[C@H]1C ZINC000993572024 647694640 /nfs/dbraw/zinc/69/46/40/647694640.db2.gz RHLDUNILKPHRQD-DYVFJYSZSA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H]1C ZINC000993581486 647696550 /nfs/dbraw/zinc/69/65/50/647696550.db2.gz CRSYTHYDHZIUSR-JKSUJKDBSA-N 0 3 304.438 2.045 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@H]1C ZINC000993569320 647702041 /nfs/dbraw/zinc/70/20/41/647702041.db2.gz PQJQOPRFMJHXJD-ZBFHGGJFSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)[C@@H]1C ZINC000993586387 647709261 /nfs/dbraw/zinc/70/92/61/647709261.db2.gz ALTJRRGKJCSTJT-BBRMVZONSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3ccncc3n2)[C@H]1C ZINC000993594052 647710727 /nfs/dbraw/zinc/71/07/27/647710727.db2.gz UTJLFJGUCBIICR-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC000993661850 647727445 /nfs/dbraw/zinc/72/74/45/647727445.db2.gz OEMDQKQHDDHRHP-CZUORRHYSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c[nH]c(=O)cc2C)[C@H]1C ZINC000993820347 647750091 /nfs/dbraw/zinc/75/00/91/647750091.db2.gz QGVWAHZXMOAMPJ-HIFRSBDPSA-N 0 3 303.406 2.254 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccncc2Cl)[C@H]1C ZINC000993830289 647751225 /nfs/dbraw/zinc/75/12/25/647751225.db2.gz WZKWMADRAFSGFX-CJNGLKHVSA-N 0 3 319.836 2.270 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccnc(OC)c2)[C@@H]1C ZINC000993831727 647751778 /nfs/dbraw/zinc/75/17/78/647751778.db2.gz ZNQLABZHORWNNJ-HOCLYGCPSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccncc2Cl)[C@@H]1C ZINC000993853808 647756218 /nfs/dbraw/zinc/75/62/18/647756218.db2.gz APUFXCPVFHRRLI-WFASDCNBSA-N 0 3 305.809 2.341 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H]1C ZINC000993916434 647766248 /nfs/dbraw/zinc/76/62/48/647766248.db2.gz LJIYDLLOGSMLQT-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccn(C(C)C)n2)[C@@H]1C ZINC000993917119 647766259 /nfs/dbraw/zinc/76/62/59/647766259.db2.gz NAIQMMXEQNFGDX-GJZGRUSLSA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccn3ccnc23)[C@@H]1C ZINC000993982730 647773578 /nfs/dbraw/zinc/77/35/78/647773578.db2.gz GLMGUQWMESRGCM-HOCLYGCPSA-N 0 3 312.417 2.493 20 30 DEEDHN C#C[C@H](CCC)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000820661692 647889106 /nfs/dbraw/zinc/88/91/06/647889106.db2.gz UOGIWDFPUMIYCV-WBVHZDCISA-N 0 3 317.433 2.399 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(C)cc1 ZINC000916875204 647936481 /nfs/dbraw/zinc/93/64/81/647936481.db2.gz VWOGXDYMWAUTHC-OAHLLOKOSA-N 0 3 302.374 2.389 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)COC2CCCC2)c1 ZINC000916892189 647938168 /nfs/dbraw/zinc/93/81/68/647938168.db2.gz YDDJRJPRZMRSNS-OAHLLOKOSA-N 0 3 316.357 2.302 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H]1C ZINC000994392977 647938959 /nfs/dbraw/zinc/93/89/59/647938959.db2.gz VWQVQCMCGZHWQW-GOEBONIOSA-N 0 3 304.438 2.114 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000916920388 647940319 /nfs/dbraw/zinc/94/03/19/647940319.db2.gz JQHSDEOCBRATGJ-WCQYABFASA-N 0 3 320.776 2.427 20 30 DEEDHN Cc1ccc(SCC(=O)C(C#N)C(=O)NC2CC2)c(C)c1 ZINC000916926679 647940946 /nfs/dbraw/zinc/94/09/46/647940946.db2.gz RLOSNAZPMOGZCX-CYBMUJFWSA-N 0 3 302.399 2.383 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@@H]1C ZINC000994409618 647944006 /nfs/dbraw/zinc/94/40/06/647944006.db2.gz GFKVPKAXVTVFIH-GOEBONIOSA-N 0 3 316.449 2.150 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccn2)C2CC2)CC1 ZINC000917136792 647974580 /nfs/dbraw/zinc/97/45/80/647974580.db2.gz IHBOOPHXLYDYII-QGZVFWFLSA-N 0 3 314.433 2.482 20 30 DEEDHN CCC(=O)N[C@H]1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC000994546117 648039397 /nfs/dbraw/zinc/03/93/97/648039397.db2.gz RQEPRNHSIXRCTD-LRDDRELGSA-N 0 3 303.381 2.482 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H]1C ZINC000994553673 648054834 /nfs/dbraw/zinc/05/48/34/648054834.db2.gz 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C[C@@H]1CN(CCCCNC(=O)C#Cc2cccs2)C[C@H](C)O1 ZINC000826933416 648949310 /nfs/dbraw/zinc/94/93/10/648949310.db2.gz WEICQLVJDUENBU-GASCZTMLSA-N 0 3 320.458 2.105 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C(C)(C)C1 ZINC000940812173 648950734 /nfs/dbraw/zinc/95/07/34/648950734.db2.gz FDZYHAHZIGFKFB-OAGGEKHMSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(OCC)no2)C(C)(C)C1 ZINC000940892492 648962992 /nfs/dbraw/zinc/96/29/92/648962992.db2.gz FDRRELGBLPQHKX-CQSZACIVSA-N 0 3 321.421 2.480 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)C(C)(C)C1 ZINC000940935396 648970107 /nfs/dbraw/zinc/97/01/07/648970107.db2.gz AQTUCCPJJZZYMK-INIZCTEOSA-N 0 3 316.449 2.216 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3nccn3c2)C(C)(C)C1 ZINC000941154513 649009359 /nfs/dbraw/zinc/00/93/59/649009359.db2.gz JRLDGJFMXSJZQH-MRXNPFEDSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC23CCOCC3)C(C)(C)C1 ZINC000941259148 649030414 /nfs/dbraw/zinc/03/04/14/649030414.db2.gz 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/nfs/dbraw/zinc/15/29/36/649152936.db2.gz STSUVPARYHGCCC-OCCSQVGLSA-N 0 3 322.840 2.020 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(CC)nc2C2CC2)[C@H](C)C1 ZINC000942091676 649154465 /nfs/dbraw/zinc/15/44/65/649154465.db2.gz OTUOMWXSIPAALW-CJNGLKHVSA-N 0 3 316.449 2.407 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@H](C)C1 ZINC000942116408 649160560 /nfs/dbraw/zinc/16/05/60/649160560.db2.gz IDIUIGKKDMDYAD-PWSUYJOCSA-N 0 3 310.829 2.252 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3n2)[C@@H](C)C1 ZINC000942126878 649162715 /nfs/dbraw/zinc/16/27/15/649162715.db2.gz LYDSTWBKPOUPOK-KBPBESRZSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(COC)cs2)[C@H](C)C1 ZINC000942270665 649193558 /nfs/dbraw/zinc/19/35/58/649193558.db2.gz FGMYUZPYCHFZAZ-UKRRQHHQSA-N 0 3 320.458 2.358 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](C)C1 ZINC000942301286 649200496 /nfs/dbraw/zinc/20/04/96/649200496.db2.gz DOBCDXHFICISLF-YOEHRIQHSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2OC)[C@@H](C)C1 ZINC000942367873 649211396 /nfs/dbraw/zinc/21/13/96/649211396.db2.gz OYEABHRPOREUOU-GOEBONIOSA-N 0 3 300.402 2.077 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000942487252 649228103 /nfs/dbraw/zinc/22/81/03/649228103.db2.gz SKKAKEWTISDZBV-NWDGAFQWSA-N 0 3 305.447 2.258 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C[C@H]1C ZINC000947903727 649252740 /nfs/dbraw/zinc/25/27/40/649252740.db2.gz MTFRDZXBPGUKQG-NEPJUHHUSA-N 0 3 324.856 2.405 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000942583757 649254573 /nfs/dbraw/zinc/25/45/73/649254573.db2.gz MDRAHSKAGLZBNP-CXAGYDPISA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)[C@H](C)C1 ZINC000942585203 649254999 /nfs/dbraw/zinc/25/49/99/649254999.db2.gz ATOGNNCDXBZRPJ-CRAIPNDOSA-N 0 3 323.440 2.181 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(C)c2CC)[C@H](C)C1 ZINC000942718206 649279298 /nfs/dbraw/zinc/27/92/98/649279298.db2.gz CPYWVVWRXVRIDU-GDBMZVCRSA-N 0 3 301.434 2.051 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2C[C@H]2C)C1 ZINC000995277441 649284388 /nfs/dbraw/zinc/28/43/88/649284388.db2.gz WPOVSYQAPXTUKD-KBAYOESNSA-N 0 3 311.429 2.021 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)[C@H](C)C1 ZINC000942858231 649294643 /nfs/dbraw/zinc/29/46/43/649294643.db2.gz KFHXJOOTMPTUAV-PBHICJAKSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)[C@@H](C)C1 ZINC000942857218 649296378 /nfs/dbraw/zinc/29/63/78/649296378.db2.gz IPZYJGHOHOOKTP-GUYCJALGSA-N 0 3 311.429 2.341 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2noc3c2CCCC3)[C@@H](C)C1 ZINC000942958861 649306714 /nfs/dbraw/zinc/30/67/14/649306714.db2.gz IDEGJGJOGJFQCQ-DZGCQCFKSA-N 0 3 315.417 2.017 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@@H](C)C1 ZINC000943178435 649346085 /nfs/dbraw/zinc/34/60/85/649346085.db2.gz TZSRJUPAKYCXDU-YOEHRIQHSA-N 0 3 307.397 2.308 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2cccc(OC)c2)C1 ZINC000829768609 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CCCCN(CC(=O)NCCC#N)[C@H]1CCc2ncsc2C1 ZINC000830811400 649499147 /nfs/dbraw/zinc/49/91/47/649499147.db2.gz FVYVEXQTVGFYKA-ZDUSSCGKSA-N 0 3 320.462 2.132 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc3c(cn2)OCCC3)[C@@H](C)C1 ZINC000944492284 649527751 /nfs/dbraw/zinc/52/77/51/649527751.db2.gz PCUWMCQAVWOEGU-DZGCQCFKSA-N 0 3 315.417 2.033 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000944553010 649533256 /nfs/dbraw/zinc/53/32/56/649533256.db2.gz KYYFPUJPHOVTLM-YOEHRIQHSA-N 0 3 302.393 2.218 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](NCc2ccc(Cl)nc2)C(C)(C)C1 ZINC000995561136 649548153 /nfs/dbraw/zinc/54/81/53/649548153.db2.gz LTZQNSWQKMJPNK-WCQYABFASA-N 0 3 320.824 2.221 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H](NCc2ccc(Cl)nc2)C(C)(C)C1 ZINC000995561125 649548203 /nfs/dbraw/zinc/54/82/03/649548203.db2.gz LTZQNSWQKMJPNK-AAEUAGOBSA-N 0 3 320.824 2.221 20 30 DEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H](O)c1ccccc1F ZINC000844367250 651118094 /nfs/dbraw/zinc/11/80/94/651118094.db2.gz 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/nfs/dbraw/zinc/26/37/14/651263714.db2.gz NJOLUPNZUXVKEM-DZKIICNBSA-N 0 3 303.406 2.455 20 30 DEEDHN C[C@@H](CN1CCCC1)OC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000845663408 651267783 /nfs/dbraw/zinc/26/77/83/651267783.db2.gz JNGFKLOKICNWQU-AWEZNQCLSA-N 0 3 324.384 2.385 20 30 DEEDHN N#Cc1cnn2cc(CN3CCC[C@@]4(CC4(F)F)C3)cnc12 ZINC000846108291 651308351 /nfs/dbraw/zinc/30/83/51/651308351.db2.gz OHUBUSHNTXJMNE-CQSZACIVSA-N 0 3 303.316 2.222 20 30 DEEDHN C#CCNC(=O)C1CCN(CCCc2c(F)cccc2F)CC1 ZINC000846790368 651352122 /nfs/dbraw/zinc/35/21/22/651352122.db2.gz UJBQJBUHAFLMRR-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccn(-c3ccc(C)cc3)n2)CC1 ZINC000847205132 651382122 /nfs/dbraw/zinc/38/21/22/651382122.db2.gz FNGBPIYSNHNFGT-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN C#C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CCOCC1 ZINC000856110758 651846771 /nfs/dbraw/zinc/84/67/71/651846771.db2.gz DNOIDDPNIBKXBN-IAGOWNOFSA-N 0 3 306.450 2.042 20 30 DEEDHN N#CC(C(=O)CC1(C#N)CCOCC1)c1nc2ccccc2[nH]1 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C=CCNC(=O)CN[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731932 652445625 /nfs/dbraw/zinc/44/56/25/652445625.db2.gz NYRGOFQYEYOSPM-CVEARBPZSA-N 0 3 310.825 2.290 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852780291 652455984 /nfs/dbraw/zinc/45/59/84/652455984.db2.gz GSSYXSSSMBORMK-AWEZNQCLSA-N 0 3 315.417 2.424 20 30 DEEDHN OC1CCN(c2ccc(C=NNC[C@@H]3CCSC3)cc2)CC1 ZINC000853346738 652540587 /nfs/dbraw/zinc/54/05/87/652540587.db2.gz KHIBGUCULHLVLQ-HNNXBMFYSA-N 0 3 319.474 2.324 20 30 DEEDHN C=CCc1cc(OCC)cc(CN(C)C[C@H]2COCCO2)c1O ZINC000853556989 652567768 /nfs/dbraw/zinc/56/77/68/652567768.db2.gz GXGCINYWTHWSJV-KRWDZBQOSA-N 0 3 321.417 2.367 20 30 DEEDHN C=C(Cl)CONC(=N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000853686240 652589667 /nfs/dbraw/zinc/58/96/67/652589667.db2.gz WZIPJQQHAJUIHG-CQSZACIVSA-N 0 3 309.797 2.138 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000854070741 652637970 /nfs/dbraw/zinc/63/79/70/652637970.db2.gz SEERRCHOZVHOJB-AWEZNQCLSA-N 0 3 323.387 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C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cn(C(C)C)cn1)C2 ZINC001054171015 693869475 /nfs/dbraw/zinc/86/94/75/693869475.db2.gz WVQPQRQXLOPTLW-GOSISDBHSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1occc1Cl)C2 ZINC001054192359 693876024 /nfs/dbraw/zinc/87/60/24/693876024.db2.gz VOWCVTZQQUXBAB-INIZCTEOSA-N 0 3 306.793 2.494 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1conc1C1CC1)C2 ZINC001054195581 693877687 /nfs/dbraw/zinc/87/76/87/693877687.db2.gz NMAUSYRTXHHLFS-GOSISDBHSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001054211671 693883484 /nfs/dbraw/zinc/88/34/84/693883484.db2.gz VFTVZZKGQZHCBD-SCTDSRPQSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnoc1C(C)C)C2 ZINC001054223011 693888693 /nfs/dbraw/zinc/88/86/93/693888693.db2.gz MRWKFJBZIHZJMQ-GOSISDBHSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](OC)C1CCCC1)C2 ZINC001054233836 693893551 /nfs/dbraw/zinc/89/35/51/693893551.db2.gz 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/nfs/dbraw/zinc/95/18/71/685951871.db2.gz UIIXDHQQVDBMPG-UBHUBRDASA-N 0 3 320.776 2.090 20 30 DEEDHN N#Cc1ccc(C2(C(=O)N3CCN4CC[C@H]3C4)CCCC2)cc1 ZINC000861861785 686196052 /nfs/dbraw/zinc/19/60/52/686196052.db2.gz VZLHMHSKIYHSRO-KRWDZBQOSA-N 0 3 309.413 2.287 20 30 DEEDHN Cc1cc([N-][NH+]=Cc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000863160508 686439253 /nfs/dbraw/zinc/43/92/53/686439253.db2.gz IAXYPNDFJFMXSZ-UHFFFAOYSA-N 0 3 310.401 2.219 20 30 DEEDHN CC(C)[C@@H](CCN(C)C[C@H](O)CC#N)NC(=O)OC(C)(C)C ZINC000929797441 694030131 /nfs/dbraw/zinc/03/01/31/694030131.db2.gz TTZWBOBHTJRDRV-ZIAGYGMSSA-N 0 3 313.442 2.132 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@H]2CC[N@@H+]2C2CCCCC2)c1[O-] ZINC000864344685 686692599 /nfs/dbraw/zinc/69/25/99/686692599.db2.gz FEUWFJHWMTZGQR-VXIUPONVSA-N 0 3 317.433 2.414 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@H]2CC[N@H+]2C2CCCCC2)c1[O-] ZINC000864344685 686692604 /nfs/dbraw/zinc/69/26/04/686692604.db2.gz FEUWFJHWMTZGQR-VXIUPONVSA-N 0 3 317.433 2.414 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CC[N@@H+]2C2CCCCC2)c1[O-] ZINC000864344688 686692909 /nfs/dbraw/zinc/69/29/09/686692909.db2.gz FEUWFJHWMTZGQR-ZVCOJXFSSA-N 0 3 317.433 2.414 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H]2CC[N@H+]2C2CCCCC2)c1[O-] ZINC000864344688 686692912 /nfs/dbraw/zinc/69/29/12/686692912.db2.gz FEUWFJHWMTZGQR-ZVCOJXFSSA-N 0 3 317.433 2.414 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1C ZINC001054863710 694061103 /nfs/dbraw/zinc/06/11/03/694061103.db2.gz VXESHKOJUQOOGR-IAQYHMDHSA-N 0 3 318.808 2.137 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(OC)ccc(F)c2OC)CC1 ZINC000865194346 686964576 /nfs/dbraw/zinc/96/45/76/686964576.db2.gz VMWCTQAIWVDWLE-UHFFFAOYSA-N 0 3 322.380 2.223 20 30 DEEDHN C=CCN1CC(=O)N([C@@H]2CCN(Cc3ccc(C)cc3)C2)C1=O ZINC000865319019 687177102 /nfs/dbraw/zinc/17/71/02/687177102.db2.gz CXSFFPUFUFGIRW-MRXNPFEDSA-N 0 3 313.401 2.020 20 30 DEEDHN COCCN(C)CCNc1c(Br)cccc1C#N ZINC000865503958 687237127 /nfs/dbraw/zinc/23/71/27/687237127.db2.gz ZZXMKANXOMEEDT-UHFFFAOYSA-N 0 3 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ZINC001016749495 687695329 /nfs/dbraw/zinc/69/53/29/687695329.db2.gz RACYMNGKYOOSNF-DFGXFYAUSA-N 0 3 300.446 2.417 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2occc2CC)CC1 ZINC001016814455 687708003 /nfs/dbraw/zinc/70/80/03/687708003.db2.gz KUMACAVKNHSOIS-OAHLLOKOSA-N 0 3 300.402 2.450 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3c(c2)CCO3)CC1 ZINC001016845998 687717199 /nfs/dbraw/zinc/71/71/99/687717199.db2.gz NFISHVAOTSAHEH-SFHVURJKSA-N 0 3 324.424 2.229 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cnc3ccccc3c2)CC1 ZINC001016856828 687720067 /nfs/dbraw/zinc/72/00/67/687720067.db2.gz XDOJKSOVKPTJCD-GOSISDBHSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3c2ccn3C)CC1 ZINC001016877177 687724904 /nfs/dbraw/zinc/72/49/04/687724904.db2.gz KEBKKVFBNVXGQG-GOSISDBHSA-N 0 3 321.424 2.396 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2c[nH]c3cccnc23)CC1 ZINC001016927135 687735424 /nfs/dbraw/zinc/73/54/24/687735424.db2.gz SSKSSYZHTDULCI-MRXNPFEDSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc3c(s2)CCC3)CC1 ZINC001016959401 687743164 /nfs/dbraw/zinc/74/31/64/687743164.db2.gz SVSAGDXWDNQLTL-INIZCTEOSA-N 0 3 314.454 2.454 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)n(C)c2C)CC1 ZINC001016962777 687744000 /nfs/dbraw/zinc/74/40/00/687744000.db2.gz DONXDZMGWHDOGA-KRWDZBQOSA-N 0 3 313.445 2.250 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(OC(F)F)cc1F ZINC000867994837 687866452 /nfs/dbraw/zinc/86/64/52/687866452.db2.gz GETQUYQHMXMODU-LBPRGKRZSA-N 0 3 315.295 2.064 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H](N)CC1CCCCC1)C2 ZINC000868037819 687887662 /nfs/dbraw/zinc/88/76/62/687887662.db2.gz INEGSTJABYGPCK-QZTJIDSGSA-N 0 3 311.429 2.439 20 30 DEEDHN Cc1cncc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)c1 ZINC000868050820 687893100 /nfs/dbraw/zinc/89/31/00/687893100.db2.gz ZDEBIGWDYOSMKQ-HZPDHXFCSA-N 0 3 300.406 2.465 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)CCC2 ZINC001017564366 687913997 /nfs/dbraw/zinc/91/39/97/687913997.db2.gz FGECYKRQGLJYFA-GASCZTMLSA-N 0 3 314.433 2.084 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(CC)n1 ZINC001017567180 687914393 /nfs/dbraw/zinc/91/43/93/687914393.db2.gz BUPWMSUSNUWDPA-CALCHBBNSA-N 0 3 316.449 2.087 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nccn21 ZINC001017620703 687926614 /nfs/dbraw/zinc/92/66/14/687926614.db2.gz ROWTXSUFDDNZBC-OWCLPIDISA-N 0 3 314.433 2.012 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1C ZINC001017781053 687960264 /nfs/dbraw/zinc/96/02/64/687960264.db2.gz AXXLJQDOJUSQNG-IYBDPMFKSA-N 0 3 316.449 2.292 20 30 DEEDHN N#Cc1ccc(C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)[nH]1 ZINC001018731442 688220728 /nfs/dbraw/zinc/22/07/28/688220728.db2.gz XYNRYZTVBILPEP-HNNXBMFYSA-N 0 3 312.348 2.030 20 30 DEEDHN Cc1cccc([C@@H](O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000930543088 694186101 /nfs/dbraw/zinc/18/61/01/694186101.db2.gz KROORJCCCULUFM-MSOLQXFVSA-N 0 3 323.396 2.448 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2ccnc(OC)c2)C1 ZINC001019332710 688331514 /nfs/dbraw/zinc/33/15/14/688331514.db2.gz WEATXUUPZVVMRP-YJBOKZPZSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000930610278 694200434 /nfs/dbraw/zinc/20/04/34/694200434.db2.gz AUGBRXYSBBRCDN-UHFFFAOYSA-N 0 3 312.373 2.418 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2occc2C)C1 ZINC001019989326 688436256 /nfs/dbraw/zinc/43/62/56/688436256.db2.gz AIRYBNOAZCOZNK-XYPYZODXSA-N 0 3 313.195 2.347 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001020225754 688487966 /nfs/dbraw/zinc/48/79/66/688487966.db2.gz XBFHHHXJJPCBRM-SYQHCUMBSA-N 0 3 300.830 2.037 20 30 DEEDHN N#Cc1ccccc1CNC1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001026491488 688528543 /nfs/dbraw/zinc/52/85/43/688528543.db2.gz ZJJBEUWYHYSSHN-UHFFFAOYSA-N 0 3 323.400 2.112 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001028246815 688533424 /nfs/dbraw/zinc/53/34/24/688533424.db2.gz BGXRXRSDOHFEHH-GFCCVEGCSA-N 0 3 324.856 2.406 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC001028292461 688535086 /nfs/dbraw/zinc/53/50/86/688535086.db2.gz QVGXRMXMCVTGEQ-INIZCTEOSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001029001197 688549019 /nfs/dbraw/zinc/54/90/19/688549019.db2.gz REOWLAWPZPRISL-MRXNPFEDSA-N 0 3 312.413 2.160 20 30 DEEDHN CCCN(C(=O)Nc1cc(CC#N)ccn1)[C@H]1CCN(C)C1 ZINC000871733749 688855093 /nfs/dbraw/zinc/85/50/93/688855093.db2.gz MXAMGBJDKNTKPV-AWEZNQCLSA-N 0 3 301.394 2.096 20 30 DEEDHN CCc1ccccc1CN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602971 688960663 /nfs/dbraw/zinc/96/06/63/688960663.db2.gz AFXYREGFFIRNHT-UHFFFAOYSA-N 0 3 322.412 2.311 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001031672898 688977813 /nfs/dbraw/zinc/97/78/13/688977813.db2.gz RULXDTGDGXQDPZ-NSHDSACASA-N 0 3 309.435 2.088 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccccc2-c2ccncc2)C1 ZINC001031769197 688993562 /nfs/dbraw/zinc/99/35/62/688993562.db2.gz CBOFZKJVUJPKOT-UHFFFAOYSA-N 0 3 319.408 2.434 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2CCc3ccccc3CC2)C1 ZINC001031801434 688999642 /nfs/dbraw/zinc/99/96/42/688999642.db2.gz GEIKCUAWJYUIMA-UHFFFAOYSA-N 0 3 310.441 2.253 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001031822944 689002773 /nfs/dbraw/zinc/00/27/73/689002773.db2.gz IWQXKCZSXDGIMW-UHFFFAOYSA-N 0 3 307.397 2.162 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001032088453 689058452 /nfs/dbraw/zinc/05/84/52/689058452.db2.gz PCOJCCNVNIMWQA-UHFFFAOYSA-N 0 3 314.433 2.372 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2noc3c2C[C@H](C)CC3)C1 ZINC001032095335 689061571 /nfs/dbraw/zinc/06/15/71/689061571.db2.gz XBTLGYMHZWUCQK-GFCCVEGCSA-N 0 3 303.406 2.037 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001032102837 689062950 /nfs/dbraw/zinc/06/29/50/689062950.db2.gz YELAKQGVNHMXCI-UHFFFAOYSA-N 0 3 311.360 2.059 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000872973214 689131501 /nfs/dbraw/zinc/13/15/01/689131501.db2.gz MWVLHBIHPGMPSX-MRXNPFEDSA-N 0 3 324.513 2.304 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)c1C ZINC001032475415 689160681 /nfs/dbraw/zinc/16/06/81/689160681.db2.gz PBNUADQJGKCYSY-GJZGRUSLSA-N 0 3 315.417 2.264 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cn2ccnc12 ZINC001032538274 689179529 /nfs/dbraw/zinc/17/95/29/689179529.db2.gz OSVGWMSDZDAAOQ-GJZGRUSLSA-N 0 3 310.401 2.118 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001032589640 689195448 /nfs/dbraw/zinc/19/54/48/689195448.db2.gz DNLXDGLFNPYSAX-YQQAZPJKSA-N 0 3 300.377 2.327 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)CC1 ZINC001032607477 689199903 /nfs/dbraw/zinc/19/99/03/689199903.db2.gz UVVUUYFOSPCEPK-XIRDDKMYSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H]2CCCOC2)C1 ZINC001032617585 689203108 /nfs/dbraw/zinc/20/31/08/689203108.db2.gz IRDVGEJERMXFMQ-PMPSAXMXSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cccn1 ZINC001032722506 689236949 /nfs/dbraw/zinc/23/69/49/689236949.db2.gz XQSGMKGSDGOFKF-PMPSAXMXSA-N 0 3 302.422 2.086 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2cccnc12 ZINC001032732315 689240218 /nfs/dbraw/zinc/24/02/18/689240218.db2.gz YMPHVENCFWDOET-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1C ZINC001032777415 689256853 /nfs/dbraw/zinc/25/68/53/689256853.db2.gz ZWTYQIOYBRTZRZ-GJZGRUSLSA-N 0 3 303.406 2.085 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)N(C)C ZINC001032803706 689266079 /nfs/dbraw/zinc/26/60/79/689266079.db2.gz KACYZNMSJVZYBO-BZSNNMDCSA-N 0 3 313.445 2.151 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001033104062 689388166 /nfs/dbraw/zinc/38/81/66/689388166.db2.gz SKQYXYHMAMJYGG-HZPDHXFCSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001033184347 689415435 /nfs/dbraw/zinc/41/54/35/689415435.db2.gz JSWGIEHUHAOKKK-MRXNPFEDSA-N 0 3 313.445 2.224 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001033211308 689426797 /nfs/dbraw/zinc/42/67/97/689426797.db2.gz JTMWIJLXYYYGGZ-OAHLLOKOSA-N 0 3 312.417 2.296 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cn(C)c3ccccc23)C1 ZINC001033239460 689435359 /nfs/dbraw/zinc/43/53/59/689435359.db2.gz CYCDJFNCKSHYQW-HNNXBMFYSA-N 0 3 309.413 2.348 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001033244370 689436441 /nfs/dbraw/zinc/43/64/41/689436441.db2.gz QLGPORDKUXDVHI-OAHLLOKOSA-N 0 3 320.408 2.486 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001033318610 689460640 /nfs/dbraw/zinc/46/06/40/689460640.db2.gz SFWLEGFCAXINOL-FUHWJXTLSA-N 0 3 314.429 2.409 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)CC1 ZINC001033388749 689484342 /nfs/dbraw/zinc/48/43/42/689484342.db2.gz DSNNGTOKJSPUDW-QGZVFWFLSA-N 0 3 316.449 2.162 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC001033547977 689537966 /nfs/dbraw/zinc/53/79/66/689537966.db2.gz NVSMZFPGZVYVGQ-AWEZNQCLSA-N 0 3 304.438 2.266 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(OC)cc2F)C1 ZINC001033550198 689538817 /nfs/dbraw/zinc/53/88/17/689538817.db2.gz FPXAJNJDAFFXMY-AWEZNQCLSA-N 0 3 306.381 2.096 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cn(CCCC)nc2C)C1 ZINC001033571357 689547790 /nfs/dbraw/zinc/54/77/90/689547790.db2.gz PXYGVYBMNGEDMN-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033607118 689557386 /nfs/dbraw/zinc/55/73/86/689557386.db2.gz MZIPCLHMTNOAKW-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033608687 689558105 /nfs/dbraw/zinc/55/81/05/689558105.db2.gz HTFBMQZCAIKSPM-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)COC3)C1 ZINC001033615073 689560931 /nfs/dbraw/zinc/56/09/31/689560931.db2.gz VLSXTEVBJPSXHQ-GOSISDBHSA-N 0 3 314.429 2.368 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001033658630 689575400 /nfs/dbraw/zinc/57/54/00/689575400.db2.gz HUDDTPPSWLJFIN-OAHLLOKOSA-N 0 3 316.401 2.180 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033708040 689590291 /nfs/dbraw/zinc/59/02/91/689590291.db2.gz SRHLBWWBRKHNDP-GFCCVEGCSA-N 0 3 309.435 2.012 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001033730156 689599706 /nfs/dbraw/zinc/59/97/06/689599706.db2.gz SAVATPICQKZRAU-SJORKVTESA-N 0 3 314.429 2.407 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccnn2CC(C)C)C1 ZINC001033847135 689636723 /nfs/dbraw/zinc/63/67/23/689636723.db2.gz UCBKJNMTNKOEMT-INIZCTEOSA-N 0 3 316.449 2.099 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(OCC#C)cc2)C1 ZINC001033977368 689681203 /nfs/dbraw/zinc/68/12/03/689681203.db2.gz OKQMLJQIZBTDPG-GOSISDBHSA-N 0 3 324.424 2.258 20 30 DEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cnc(COC)s2)C1 ZINC001034057443 689708700 /nfs/dbraw/zinc/70/87/00/689708700.db2.gz WIZHMHHILIPMJS-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C#CC[C@@H](CCOC)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000875919962 689717670 /nfs/dbraw/zinc/71/76/70/689717670.db2.gz SOWIIXUAUAPHFH-INIZCTEOSA-N 0 3 323.481 2.178 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001034238732 689777052 /nfs/dbraw/zinc/77/70/52/689777052.db2.gz MAZKBAJRWPGPED-OAHLLOKOSA-N 0 3 317.433 2.248 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001034257804 689784217 /nfs/dbraw/zinc/78/42/17/689784217.db2.gz NAWGFMMCAILNRG-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001034283015 689794167 /nfs/dbraw/zinc/79/41/67/689794167.db2.gz UATTWSXTWNIOHE-MRXNPFEDSA-N 0 3 316.449 2.246 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001034289559 689797063 /nfs/dbraw/zinc/79/70/63/689797063.db2.gz ZAKAGBZTKNPQQS-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(OC)nc2)C1 ZINC001034298493 689801116 /nfs/dbraw/zinc/80/11/16/689801116.db2.gz MQUZIKZCGGGWMN-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2nncc3ccccc32)C1 ZINC001034305412 689802307 /nfs/dbraw/zinc/80/23/07/689802307.db2.gz HNRQTEBHEQNHME-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccnc2OC)C1 ZINC001034386843 689830372 /nfs/dbraw/zinc/83/03/72/689830372.db2.gz UQKLLTOVMBVZSO-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001034396115 689834703 /nfs/dbraw/zinc/83/47/03/689834703.db2.gz CJSLBUDULFPBOK-ZFWWWQNUSA-N 0 3 313.873 2.051 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001034423840 689845122 /nfs/dbraw/zinc/84/51/22/689845122.db2.gz MEODOUXESFAKMC-NVXWUHKLSA-N 0 3 318.392 2.286 20 30 DEEDHN Cc1cccc(O)c1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000876565856 689859101 /nfs/dbraw/zinc/85/91/01/689859101.db2.gz PIUHLOULZFNTAM-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCC)c(OC)c1 ZINC000876584706 689866554 /nfs/dbraw/zinc/86/65/54/689866554.db2.gz MXVHCFHVEHGPOX-LBPRGKRZSA-N 0 3 312.797 2.180 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000876585386 689867343 /nfs/dbraw/zinc/86/73/43/689867343.db2.gz JZPVXTKRRRXQFP-AWEZNQCLSA-N 0 3 321.808 2.217 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001034492076 689872237 /nfs/dbraw/zinc/87/22/37/689872237.db2.gz XJLDCMHJJWLHRU-INIZCTEOSA-N 0 3 318.465 2.219 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001034499682 689874508 /nfs/dbraw/zinc/87/45/08/689874508.db2.gz FOKCGAQETPESFW-GOSISDBHSA-N 0 3 314.429 2.416 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1noc(CC)n1 ZINC000876623022 689879002 /nfs/dbraw/zinc/87/90/02/689879002.db2.gz ABWUAEITQJAFHP-QWRGUYRKSA-N 0 3 312.801 2.156 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001034517712 689883093 /nfs/dbraw/zinc/88/30/93/689883093.db2.gz OSQIFIXGBAMKSI-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)noc2CC)C1 ZINC001034521270 689884190 /nfs/dbraw/zinc/88/41/90/689884190.db2.gz DZLRBJOLRIENGW-CQSZACIVSA-N 0 3 303.406 2.153 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2csc3nccn23)C1 ZINC001034529474 689887813 /nfs/dbraw/zinc/88/78/13/689887813.db2.gz HUBSFLQCAFTJIY-CYBMUJFWSA-N 0 3 318.446 2.095 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000876673073 689896657 /nfs/dbraw/zinc/89/66/57/689896657.db2.gz JLJQLKWDZGBZNS-RWMBFGLXSA-N 0 3 302.846 2.414 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(COC)nc2c1 ZINC000876697080 689906714 /nfs/dbraw/zinc/90/67/14/689906714.db2.gz PPLLGHNPGPUDQP-SNVBAGLBSA-N 0 3 309.753 2.383 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(Cc1cc(C#N)cnc1Cl)CC2 ZINC000876739205 689923102 /nfs/dbraw/zinc/92/31/02/689923102.db2.gz AZRCAKZSUSYVKL-ZDUSSCGKSA-N 0 3 319.792 2.382 20 30 DEEDHN CSC(C)(C)CCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000876807472 689942948 /nfs/dbraw/zinc/94/29/48/689942948.db2.gz FATBXTHCMJBUNR-CYBMUJFWSA-N 0 3 319.478 2.390 20 30 DEEDHN C=C(Cl)CN[C@H]1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001034772543 689944672 /nfs/dbraw/zinc/94/46/72/689944672.db2.gz WSCNHWPXCGRULJ-JOCQHMNTSA-N 0 3 323.824 2.066 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000876875183 689961013 /nfs/dbraw/zinc/96/10/13/689961013.db2.gz RBOIDUBLDQTNKM-HNNXBMFYSA-N 0 3 321.852 2.422 20 30 DEEDHN CC(C)C(=O)N1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000876926324 689974747 /nfs/dbraw/zinc/97/47/47/689974747.db2.gz PTRFEKCBJZQNIT-UHFFFAOYSA-N 0 3 320.824 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccc(OC)cn2)CC1 ZINC000876945449 689978671 /nfs/dbraw/zinc/97/86/71/689978671.db2.gz ZBRFOLCAOHBCAD-AWEZNQCLSA-N 0 3 323.824 2.266 20 30 DEEDHN O=C(C#CC1CC1)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001035183277 690052462 /nfs/dbraw/zinc/05/24/62/690052462.db2.gz KKNDEWWUXSQBDS-OQYWKCLKSA-N 0 3 306.837 2.467 20 30 DEEDHN CC(C)(C)OC(=O)NC1(CNCc2cccc(C#N)n2)CCC1 ZINC000877307529 690071780 /nfs/dbraw/zinc/07/17/80/690071780.db2.gz ILAOVUQINZRTNS-UHFFFAOYSA-N 0 3 316.405 2.490 20 30 DEEDHN N#CCc1ccsc1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877339140 690079998 /nfs/dbraw/zinc/07/99/98/690079998.db2.gz SPWHFQVSGPXIJD-HNNXBMFYSA-N 0 3 311.410 2.258 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCOCC1 ZINC000877341535 690081555 /nfs/dbraw/zinc/08/15/55/690081555.db2.gz TXTWKDZVCIOJRJ-KRWDZBQOSA-N 0 3 314.429 2.190 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC001035663405 690146189 /nfs/dbraw/zinc/14/61/89/690146189.db2.gz AYAPYHHRTAZUSX-UHFFFAOYSA-N 0 3 303.381 2.335 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ncccc1CC)CC2 ZINC001035738605 690164888 /nfs/dbraw/zinc/16/48/88/690164888.db2.gz CUJQKKVJTVSIEJ-UHFFFAOYSA-N 0 3 311.429 2.205 20 30 DEEDHN C[C@H](CO)C1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877612884 690167388 /nfs/dbraw/zinc/16/73/88/690167388.db2.gz PYRKGFQEDAOMFL-CQSZACIVSA-N 0 3 301.434 2.465 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC(Cn2cnnc2)CC1 ZINC000877612026 690167400 /nfs/dbraw/zinc/16/74/00/690167400.db2.gz BEIIVBWZMPIWDS-UHFFFAOYSA-N 0 3 324.432 2.128 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C(F)(F)F)CC1)CC2 ZINC001035805901 690181324 /nfs/dbraw/zinc/18/13/24/690181324.db2.gz OOAHSOUYHMGKEC-UHFFFAOYSA-N 0 3 314.351 2.277 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]cn1)CC2 ZINC001035815764 690183965 /nfs/dbraw/zinc/18/39/65/690183965.db2.gz XNVMSYDMRHYNRZ-OAHLLOKOSA-N 0 3 316.449 2.089 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)COc1ccsc1)CC2 ZINC001035835352 690188486 /nfs/dbraw/zinc/18/84/86/690188486.db2.gz OJLMUSQCZXCTFT-UHFFFAOYSA-N 0 3 318.442 2.075 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccccc1OC)CC2 ZINC001035840407 690189732 /nfs/dbraw/zinc/18/97/32/690189732.db2.gz JBOQBJHRZKICMW-UHFFFAOYSA-N 0 3 312.413 2.257 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H](C)[C@H]1CCCO1)CC2 ZINC001035844045 690191340 /nfs/dbraw/zinc/19/13/40/690191340.db2.gz MARXPFBMTFHPFX-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC001035846548 690192017 /nfs/dbraw/zinc/19/20/17/690192017.db2.gz OEBPFSWYKOVMAN-UHFFFAOYSA-N 0 3 314.404 2.316 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccon2)CC[C@@H]1NCc1ccccc1C#N ZINC001035932348 690219975 /nfs/dbraw/zinc/21/99/75/690219975.db2.gz HGOZUGNKWTXQAU-BBRMVZONSA-N 0 3 324.384 2.187 20 30 DEEDHN Cn1nnnc1C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000877780936 690226335 /nfs/dbraw/zinc/22/63/35/690226335.db2.gz KTPPTBNZGFBWOW-UHFFFAOYSA-N 0 3 324.432 2.391 20 30 DEEDHN C=CCOc1cccc(CN2CCC3(CCNC3=O)CC2)c1 ZINC000877783096 690226882 /nfs/dbraw/zinc/22/68/82/690226882.db2.gz CTAAYUMJJZJLQK-UHFFFAOYSA-N 0 3 300.402 2.354 20 30 DEEDHN COc1ccc(C[C@](C)(CO)NCc2cccc(C#N)n2)cc1 ZINC000877831083 690245694 /nfs/dbraw/zinc/24/56/94/690245694.db2.gz OZXRISOSPCBSKM-GOSISDBHSA-N 0 3 311.385 2.045 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000877987852 690279878 /nfs/dbraw/zinc/27/98/78/690279878.db2.gz VCROVUYATXVGQL-INIZCTEOSA-N 0 3 313.445 2.158 20 30 DEEDHN C[C@H](NCc1cscn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001036408551 690343246 /nfs/dbraw/zinc/34/32/46/690343246.db2.gz FKDPJPRUGPGJIT-ZFWWWQNUSA-N 0 3 317.458 2.273 20 30 DEEDHN C=CC[C@@H](C)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000878208643 690347267 /nfs/dbraw/zinc/34/72/67/690347267.db2.gz YERPPGQPDMAPPG-CQSZACIVSA-N 0 3 312.417 2.418 20 30 DEEDHN CC(=O)N[C@@H]1CCCC[C@H]1CNCc1cc(F)ccc1C#N ZINC001037133274 690577687 /nfs/dbraw/zinc/57/76/87/690577687.db2.gz VVUNJZSUOGDTPH-WMLDXEAASA-N 0 3 303.381 2.482 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN2CCCC2CCC2)c[nH]1 ZINC001038174113 690731138 /nfs/dbraw/zinc/73/11/38/690731138.db2.gz DUYKKPUHJAFAQY-INIZCTEOSA-N 0 3 300.406 2.271 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CCC(=O)OC)C1 ZINC000880036716 690787331 /nfs/dbraw/zinc/78/73/31/690787331.db2.gz DONMYTCAYNQAAT-HZPDHXFCSA-N 0 3 324.465 2.465 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001038406495 690809440 /nfs/dbraw/zinc/80/94/40/690809440.db2.gz CTWPPHRCYNUOTM-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001038487558 690838707 /nfs/dbraw/zinc/83/87/07/690838707.db2.gz CQUDYFQVLAMNER-HZPDHXFCSA-N 0 3 300.402 2.004 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CCC1 ZINC001038800959 690929669 /nfs/dbraw/zinc/92/96/69/690929669.db2.gz WETDVZMTFMANFO-IKGGRYGDSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001038888563 690956659 /nfs/dbraw/zinc/95/66/59/690956659.db2.gz DVFJXFFMJYNUOU-GFCCVEGCSA-N 0 3 324.856 2.406 20 30 DEEDHN COC(=O)c1cncc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000931508012 694414618 /nfs/dbraw/zinc/41/46/18/694414618.db2.gz BAOJZMPCWUTGLX-UHFFFAOYSA-N 0 3 309.369 2.414 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)Nc2cccc(CC#N)n2)C1 ZINC000881145876 691036288 /nfs/dbraw/zinc/03/62/88/691036288.db2.gz FAKGKIOSIKIPLL-UHFFFAOYSA-N 0 3 315.421 2.391 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)Nc1cccc(CC#N)n1 ZINC000881146237 691036648 /nfs/dbraw/zinc/03/66/48/691036648.db2.gz MERVNVIESMYMNA-UHFFFAOYSA-N 0 3 315.421 2.487 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccnc(C)c2)C1 ZINC001039249173 691068592 /nfs/dbraw/zinc/06/85/92/691068592.db2.gz YEXWGUPNWLGCOU-QZTJIDSGSA-N 0 3 311.429 2.340 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccn1 ZINC001039337191 691084466 /nfs/dbraw/zinc/08/44/66/691084466.db2.gz DYZAUIMEFUBCGE-XHSDSOJGSA-N 0 3 302.422 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001039407910 691100231 /nfs/dbraw/zinc/10/02/31/691100231.db2.gz NILIUSVJRYEOSF-QSAAJNHFSA-N 0 3 316.445 2.051 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(F)(F)F ZINC001039418745 691102320 /nfs/dbraw/zinc/10/23/20/691102320.db2.gz QGEIHNDUKNAGFN-XQQFMLRXSA-N 0 3 302.340 2.273 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001039427821 691104232 /nfs/dbraw/zinc/10/42/32/691104232.db2.gz LJHQZLUDJQOYLU-AOIWGVFYSA-N 0 3 308.425 2.415 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)COC2 ZINC001039451246 691108984 /nfs/dbraw/zinc/10/89/84/691108984.db2.gz QWADFNSHUFRHJP-MOPGFXCFSA-N 0 3 324.424 2.419 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCOC1 ZINC001039820423 691153353 /nfs/dbraw/zinc/15/33/53/691153353.db2.gz HDXABOYWSSPYLU-OAGGEKHMSA-N 0 3 306.450 2.300 20 30 DEEDHN N#Cc1cnn(-c2ccccc2)c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000881868507 691176435 /nfs/dbraw/zinc/17/64/35/691176435.db2.gz GUPDZSMCUIPJKW-IRXDYDNUSA-N 0 3 323.400 2.019 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3c(C)noc3C)C2)C1 ZINC001040062239 691188097 /nfs/dbraw/zinc/18/80/97/691188097.db2.gz BWVRJIDYORMPKE-QGZVFWFLSA-N 0 3 303.406 2.406 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC3CCOCC3)C2)C1 ZINC001040126140 691201986 /nfs/dbraw/zinc/20/19/86/691201986.db2.gz MRGGJZAIAJMSPR-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3oc(C)nc3C)C2)C1 ZINC001040136901 691202672 /nfs/dbraw/zinc/20/26/72/691202672.db2.gz KILKXLKRDWMVBT-QGZVFWFLSA-N 0 3 303.406 2.406 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC001040167691 691207066 /nfs/dbraw/zinc/20/70/66/691207066.db2.gz YZDAZGUWVBVEBL-WBVHZDCISA-N 0 3 308.491 2.466 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccnn3C(C)C)C2)C1 ZINC001040224391 691216897 /nfs/dbraw/zinc/21/68/97/691216897.db2.gz KTKPSNLRWIODMY-GOSISDBHSA-N 0 3 314.433 2.025 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3onc(C)c3C)C2)C1 ZINC001040259485 691222603 /nfs/dbraw/zinc/22/26/03/691222603.db2.gz WYIYRKRQVRIZPI-KRWDZBQOSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)c(C)cn3)C2)C1 ZINC001040307680 691228775 /nfs/dbraw/zinc/22/87/75/691228775.db2.gz PCSDPYSVNFAXTJ-LJQANCHMSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CC3CC(OCC)C3)C2)C1 ZINC001040348089 691233147 /nfs/dbraw/zinc/23/31/47/691233147.db2.gz PJZBDBONKVIBTL-FAFZWHIHSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3ccnc(C)c3)C2)C1 ZINC001040461919 691251319 /nfs/dbraw/zinc/25/13/19/691251319.db2.gz XOXVLAIQUWWXLY-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCCOC3)C2)C1 ZINC001040472737 691253161 /nfs/dbraw/zinc/25/31/61/691253161.db2.gz BTVSMTWIBBXJQX-PKOBYXMFSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)c3ccc(C)n3C)C2)CC1 ZINC001040601229 691270916 /nfs/dbraw/zinc/27/09/16/691270916.db2.gz MRZGRLDLGICWIM-UHFFFAOYSA-N 0 3 313.445 2.285 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3ccc(Cl)o3)C2)CC1 ZINC001040607610 691271342 /nfs/dbraw/zinc/27/13/42/691271342.db2.gz BHKZFDOMOIRENE-UHFFFAOYSA-N 0 3 306.793 2.494 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)c3cncc(F)c3)C2)CC1 ZINC001040659155 691277324 /nfs/dbraw/zinc/27/73/24/691277324.db2.gz VAPSVOLJFZDDKO-UHFFFAOYSA-N 0 3 315.392 2.172 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3ccc4cc[nH]c4n3)C2)CC1 ZINC001040734889 691283529 /nfs/dbraw/zinc/28/35/29/691283529.db2.gz DBAHIHSVPDMVTL-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@H](OC)C3)C2)CC1 ZINC001040824527 691290447 /nfs/dbraw/zinc/29/04/47/691290447.db2.gz 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CCO[C@@H](CC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001390335766 1155657808 /nfs/dbraw/zinc/65/78/08/1155657808.db2.gz TZNDDIHKDLLVKE-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccc1[O-])[NH2+]Cc1ccc(C#N)cc1 ZINC001371111686 1155713813 /nfs/dbraw/zinc/71/38/13/1155713813.db2.gz DXONBWHRZVQGIH-ZDUSSCGKSA-N 0 3 309.369 2.172 20 30 DEEDHN C[C@H](CNC(=O)c1ccns1)NCc1ccc(C#N)c(F)c1 ZINC001371193683 1155775869 /nfs/dbraw/zinc/77/58/69/1155775869.db2.gz KTEVZUZKYZLYRG-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H](C)C1CC1 ZINC001390657807 1155829666 /nfs/dbraw/zinc/82/96/66/1155829666.db2.gz RSAGQGNKFPTSSW-GHMZBOCLSA-N 0 3 303.244 2.426 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(OC)c(C)c1 ZINC001390890533 1155920754 /nfs/dbraw/zinc/92/07/54/1155920754.db2.gz RVPNLYKJAYYYOI-AWEZNQCLSA-N 0 3 303.406 2.101 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2cc[nH]c2c1 ZINC001371774755 1156010118 /nfs/dbraw/zinc/01/01/18/1156010118.db2.gz 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/nfs/dbraw/zinc/98/78/58/1157987858.db2.gz HUSUJWTZXBVYMR-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccnn1C1CCC1 ZINC001393801237 1157996512 /nfs/dbraw/zinc/99/65/12/1157996512.db2.gz GODBBSWXZAOGHJ-LBPRGKRZSA-N 0 3 310.829 2.459 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001393880431 1158041679 /nfs/dbraw/zinc/04/16/79/1158041679.db2.gz BYZSOTKWPGEWIO-ZIAGYGMSSA-N 0 3 301.862 2.002 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001394099258 1158273395 /nfs/dbraw/zinc/27/33/95/1158273395.db2.gz KRAYGYNZIKMOQN-CZUORRHYSA-N 0 3 321.396 2.274 20 30 DEEDHN COC[C@@H](C)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394127304 1158319618 /nfs/dbraw/zinc/31/96/18/1158319618.db2.gz SRXBGUCNCXLKIC-GJZGRUSLSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)OC)C1 ZINC001394377577 1158448020 /nfs/dbraw/zinc/44/80/20/1158448020.db2.gz ZATVQEGGBXJMDM-IHRRRGAJSA-N 0 3 302.846 2.284 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3ccncc3)CC2)c1 ZINC001375380833 1158556482 /nfs/dbraw/zinc/55/64/82/1158556482.db2.gz IKPQTIBQVYLNSZ-UHFFFAOYSA-N 0 3 306.369 2.005 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001394474227 1158565776 /nfs/dbraw/zinc/56/57/76/1158565776.db2.gz BRUXZGVATOQJAZ-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001394498237 1158589696 /nfs/dbraw/zinc/58/96/96/1158589696.db2.gz DRBPFAOFFVCWHZ-IUODEOHRSA-N 0 3 321.396 2.251 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001375456597 1158702505 /nfs/dbraw/zinc/70/25/05/1158702505.db2.gz WCRNNFPFRHBBMT-OAHLLOKOSA-N 0 3 303.381 2.291 20 30 DEEDHN CO[C@@H](C)C(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001375773248 1158867619 /nfs/dbraw/zinc/86/76/19/1158867619.db2.gz NIYNYHTZCJPCDX-AWEZNQCLSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001376446663 1159431387 /nfs/dbraw/zinc/43/13/87/1159431387.db2.gz SGNSAOSCOTYSPZ-YUELXQCFSA-N 0 3 324.384 2.238 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001377003444 1159871926 /nfs/dbraw/zinc/87/19/26/1159871926.db2.gz JNMZCCCZGDIKGK-AWEZNQCLSA-N 0 3 303.878 2.105 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](OC)C2CCC2)C1 ZINC001397073587 1159943748 /nfs/dbraw/zinc/94/37/48/1159943748.db2.gz CHNICBNMYHTBOL-YUTCNCBUSA-N 0 3 300.830 2.038 20 30 DEEDHN CCN(CCNC(=O)C1=COCCC1)Cc1cccc(C#N)c1 ZINC001377296185 1160158070 /nfs/dbraw/zinc/15/80/70/1160158070.db2.gz WNVXKXJXSXYHOZ-UHFFFAOYSA-N 0 3 313.401 2.191 20 30 DEEDHN CCN(CCNC(=O)COC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001377303339 1160173148 /nfs/dbraw/zinc/17/31/48/1160173148.db2.gz SODAXMVMTXWXDH-UHFFFAOYSA-N 0 3 317.433 2.311 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001377712618 1160768871 /nfs/dbraw/zinc/76/88/71/1160768871.db2.gz NATMFGKEDSWATJ-PESDSKBTSA-N 0 3 319.836 2.348 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C1CCN(CCc2ccccc2F)CC1 ZINC001398186035 1160810292 /nfs/dbraw/zinc/81/02/92/1160810292.db2.gz PLNAIIBRNKSYRO-CQSZACIVSA-N 0 3 317.408 2.451 20 30 DEEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1ccc(C#N)cc1 ZINC001378018436 1160924966 /nfs/dbraw/zinc/92/49/66/1160924966.db2.gz AQKNQPAMMXNCSC-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)c1 ZINC001378019327 1160925364 /nfs/dbraw/zinc/92/53/64/1160925364.db2.gz JGORNPFIRWQCRM-HOTGVXAUSA-N 0 3 317.433 2.278 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001398543305 1160962489 /nfs/dbraw/zinc/96/24/89/1160962489.db2.gz VVQUJQGATKEGNQ-RBSFLKMASA-N 0 3 324.856 2.460 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001398891372 1161138821 /nfs/dbraw/zinc/13/88/21/1161138821.db2.gz MRXDWIJTHXFITJ-BXUZGUMPSA-N 0 3 309.435 2.029 20 30 DEEDHN Cc1nc(C(C)C)ccc1CN[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001398891165 1161139375 /nfs/dbraw/zinc/13/93/75/1161139375.db2.gz VVMBPRCANWBILX-QWHCGFSZSA-N 0 3 302.422 2.267 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C1CC1)NCc1ccc(F)c(C#N)c1 ZINC001398899983 1161143226 /nfs/dbraw/zinc/14/32/26/1161143226.db2.gz ZNLPLSOSMQYWRT-NEPJUHHUSA-N 0 3 303.381 2.338 20 30 DEEDHN CO[C@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C1CCC1 ZINC001399028865 1161195600 /nfs/dbraw/zinc/19/56/00/1161195600.db2.gz KPQPVRKDUTXBEG-NHYWBVRUSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@H](CCNC(=O)[C@@H](C)C#N)NCc1ccn(C2CCCC2)n1 ZINC001399314672 1161340754 /nfs/dbraw/zinc/34/07/54/1161340754.db2.gz HQPPFMUANWDGFW-UONOGXRCSA-N 0 3 317.437 2.142 20 30 DEEDHN CC[C@@H](F)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001399387214 1161373683 /nfs/dbraw/zinc/37/36/83/1161373683.db2.gz OSIPKJBWKQMNBI-SMDDNHRTSA-N 0 3 309.360 2.430 20 30 DEEDHN CC[C@H](F)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001399387209 1161373924 /nfs/dbraw/zinc/37/39/24/1161373924.db2.gz OSIPKJBWKQMNBI-RISCZKNCSA-N 0 3 309.360 2.430 20 30 DEEDHN N#Cc1ccc(C[NH2+]CC2([N-]C(=O)C(F)F)CCCC2)s1 ZINC001400904869 1161843840 /nfs/dbraw/zinc/84/38/40/1161843840.db2.gz IXYWMBUXKBCTAD-UHFFFAOYSA-N 0 3 313.373 2.403 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001401069006 1161866429 /nfs/dbraw/zinc/86/64/29/1161866429.db2.gz DFMSYEQUHSMFJL-XJKSGUPXSA-N 0 3 324.856 2.461 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1 ZINC001401186075 1161889626 /nfs/dbraw/zinc/88/96/26/1161889626.db2.gz ONQUIEOMAYJBMX-MCIONIFRSA-N 0 3 312.841 2.325 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C(C)(F)F ZINC001401197882 1161892147 /nfs/dbraw/zinc/89/21/47/1161892147.db2.gz KLQVXDVKNVSTFJ-JTQLQIEISA-N 0 3 313.323 2.289 20 30 DEEDHN CCC[C@H](OC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001401239206 1161901462 /nfs/dbraw/zinc/90/14/62/1161901462.db2.gz IVLLBKRLYUNOFB-WFASDCNBSA-N 0 3 323.462 2.371 20 30 DEEDHN CC(C)[C@H](CNC(=O)C1CC1)NCc1cc(C#N)ccc1F ZINC001401313566 1161925885 /nfs/dbraw/zinc/92/58/85/1161925885.db2.gz 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1162171447 /nfs/dbraw/zinc/17/14/47/1162171447.db2.gz YBBGMBOZYDVVPK-AWEZNQCLSA-N 0 3 313.873 2.194 20 30 DEEDHN CCCN(CCNC(=O)C1CC1)Cc1ccc(C#N)c(F)c1 ZINC001404111616 1163456676 /nfs/dbraw/zinc/45/66/76/1163456676.db2.gz QRHPAZZBKHMITB-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001404879135 1163844450 /nfs/dbraw/zinc/84/44/50/1163844450.db2.gz VPALIBGRIZICRL-KBPBESRZSA-N 0 3 311.429 2.444 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ncccn2)CCCC[C@@H]1C ZINC001405450222 1164097415 /nfs/dbraw/zinc/09/74/15/1164097415.db2.gz AHOUJBWBKJBXBR-LRDDRELGSA-N 0 3 322.840 2.497 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccn(C)n2)CCCC[C@H]1C ZINC001405453938 1164099701 /nfs/dbraw/zinc/09/97/01/1164099701.db2.gz CYBAODYRNAXSSL-WBMJQRKESA-N 0 3 324.856 2.441 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cn(C)cn2)CCCC[C@@H]1C ZINC001405488147 1164116290 /nfs/dbraw/zinc/11/62/90/1164116290.db2.gz NOGWPSUFEOICPC-LRDDRELGSA-N 0 3 324.856 2.441 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(CCN(C)Cc2cncs2)CC1 ZINC001405971730 1164364469 /nfs/dbraw/zinc/36/44/69/1164364469.db2.gz RDXYZODRAAKHEX-CYBMUJFWSA-N 0 3 320.462 2.363 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)C(C)(C)F ZINC001406577432 1164686535 /nfs/dbraw/zinc/68/65/35/1164686535.db2.gz JCMGXPJBRKEOKO-ZDUSSCGKSA-N 0 3 321.396 2.274 20 30 DEEDHN Cc1ocnc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406586503 1164701239 /nfs/dbraw/zinc/70/12/39/1164701239.db2.gz WCRCRAQUZFZRCZ-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN COc1ccc(CN(C)CCCN(C)C(=O)C2CC2)cc1C#N ZINC001407880338 1165363962 /nfs/dbraw/zinc/36/39/62/1165363962.db2.gz RKFOFPRTUXRQJB-UHFFFAOYSA-N 0 3 315.417 2.257 20 30 DEEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1c(C)cccc1C#N ZINC001414298103 1165783843 /nfs/dbraw/zinc/78/38/43/1165783843.db2.gz GUFCQPIXDIDULM-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001417800736 1167222271 /nfs/dbraw/zinc/22/22/71/1167222271.db2.gz JAIAFIDYFHTPOO-JOCQHMNTSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC[C@H](C)OC)C1 ZINC001417803620 1167224370 /nfs/dbraw/zinc/22/43/70/1167224370.db2.gz FVTGCTWHNZUGKG-MELADBBJSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H](C)C2CC2)C[C@H]1OCC ZINC001418745060 1167936119 /nfs/dbraw/zinc/93/61/19/1167936119.db2.gz KLDUBQFRVJEURL-BPLDGKMQSA-N 0 3 314.857 2.238 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1cccn1C ZINC001420058399 1169118464 /nfs/dbraw/zinc/11/84/64/1169118464.db2.gz SITMXXKOEJXJEJ-LLVKDONJSA-N 0 3 314.227 2.032 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)COc1ccsc1 ZINC001420137873 1169191727 /nfs/dbraw/zinc/19/17/27/1169191727.db2.gz GOJLZMKTDLXSES-NSHDSACASA-N 0 3 302.827 2.364 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420284972 1169319250 /nfs/dbraw/zinc/31/92/50/1169319250.db2.gz YHJZFEHTVITCKW-VXGBXAGGSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421184001 1171562784 /nfs/dbraw/zinc/56/27/84/1171562784.db2.gz NQOSEZRHOTWTFI-AUUYWEPGSA-N 0 3 311.429 2.416 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001421567753 1171851579 /nfs/dbraw/zinc/85/15/79/1171851579.db2.gz QZONEYCLSPNLLX-REISYBLGSA-N 0 3 324.852 2.037 20 30 DEEDHN Cc1cnccc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001421682721 1171898353 /nfs/dbraw/zinc/89/83/53/1171898353.db2.gz BGLBLDXZFLQYCB-AWEZNQCLSA-N 0 3 322.412 2.417 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC2(C)C)CCOCC1 ZINC001422009746 1172228217 /nfs/dbraw/zinc/22/82/17/1172228217.db2.gz DZCQXGPVRGTCTA-ZDUSSCGKSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001422121111 1172319307 /nfs/dbraw/zinc/31/93/07/1172319307.db2.gz MGKLWNCXGLTRPR-ZIAGYGMSSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1Cc2cccnc2C1)C(C)C ZINC001422136160 1172333080 /nfs/dbraw/zinc/33/30/80/1172333080.db2.gz FHCKMGUIFGXSSQ-GOEBONIOSA-N 0 3 321.852 2.279 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)CCC)C[C@H]1C ZINC001422137144 1172333881 /nfs/dbraw/zinc/33/38/81/1172333881.db2.gz VYGAAPKVXXXKOP-KGLIPLIRSA-N 0 3 301.862 2.050 20 30 DEEDHN COCCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001422218269 1172404240 /nfs/dbraw/zinc/40/42/40/1172404240.db2.gz BROIRMVYXJSWDH-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN CC(C)C[C@@H]1CN(C)CCN1C[C@H](O)c1cccc(C#N)c1 ZINC001422291493 1172460110 /nfs/dbraw/zinc/46/01/10/1172460110.db2.gz JQLLLCPNRLDMQW-MSOLQXFVSA-N 0 3 301.434 2.254 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001422798849 1172868881 /nfs/dbraw/zinc/86/88/81/1172868881.db2.gz PXZXINQCPXPUFE-AWEZNQCLSA-N 0 3 313.873 2.050 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccncc3)CC2)cc1 ZINC001423157912 1173128264 /nfs/dbraw/zinc/12/82/64/1173128264.db2.gz FAEIGPDSAXPXBI-UHFFFAOYSA-N 0 3 306.369 2.005 20 30 DEEDHN C=C(Cl)CN1CCC[C@@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001423691170 1173494047 /nfs/dbraw/zinc/49/40/47/1173494047.db2.gz ZCXJHMKONNTXGY-ZBFHGGJFSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C2CCC2)CCOCC1 ZINC001424484140 1173805626 /nfs/dbraw/zinc/80/56/26/1173805626.db2.gz QQKFYTBVJLMJLC-ZDUSSCGKSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001424574406 1173838644 /nfs/dbraw/zinc/83/86/44/1173838644.db2.gz ZFTMVKXVEGDGCC-AEGPPILISA-N 0 3 307.825 2.422 20 30 DEEDHN Cc1csc(N2CCC(NCC3(C#N)CCOCC3)CC2)n1 ZINC001434517880 1178737758 /nfs/dbraw/zinc/73/77/58/1178737758.db2.gz NPNMABUPWKKOPI-UHFFFAOYSA-N 0 3 320.462 2.330 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1CCc1ccccc1F ZINC001436436278 1179096584 /nfs/dbraw/zinc/09/65/84/1179096584.db2.gz IYCWQSPKGSRFAT-XOKHGSTOSA-N 0 3 317.408 2.497 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2cccnc2)CC(C)(C)C1 ZINC001436498574 1179151654 /nfs/dbraw/zinc/15/16/54/1179151654.db2.gz JXYXUYWBJZXIRZ-GDBMZVCRSA-N 0 3 314.433 2.348 20 30 DEEDHN CCOCC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001437081404 1179391241 /nfs/dbraw/zinc/39/12/41/1179391241.db2.gz KYQQODXDPUKCER-UHFFFAOYSA-N 0 3 315.417 2.112 20 30 DEEDHN Cc1noc(C)c1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001437104264 1179412942 /nfs/dbraw/zinc/41/29/42/1179412942.db2.gz DGWSNIYTMMJFCK-SECBINFHSA-N 0 3 318.402 2.133 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CC[C@H]1CCOC1)C(C)C ZINC001438804609 1180817768 /nfs/dbraw/zinc/81/77/68/1180817768.db2.gz PXXIEILCAWJTOH-KBPBESRZSA-N 0 3 302.846 2.286 20 30 DEEDHN COCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439361641 1181044328 /nfs/dbraw/zinc/04/43/28/1181044328.db2.gz ZPVRKRZVMINXOJ-AWEZNQCLSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2cncs2)CC(C)(C)C1 ZINC001440537851 1181586974 /nfs/dbraw/zinc/58/69/74/1181586974.db2.gz REYGGNXXLMHKII-CHWSQXEVSA-N 0 3 320.462 2.410 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC001440670661 1181637039 /nfs/dbraw/zinc/63/70/39/1181637039.db2.gz VINWZABECZGFKV-QMMMGPOBSA-N 0 3 306.744 2.198 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001440791919 1181695765 /nfs/dbraw/zinc/69/57/65/1181695765.db2.gz SKJZDUCLAQPQTM-VXGBXAGGSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)Cn1ccnc1C(C)C ZINC001440840328 1181721595 /nfs/dbraw/zinc/72/15/95/1181721595.db2.gz DHGJACVLKRHPEV-STQMWFEESA-N 0 3 312.845 2.242 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440917415 1181773230 /nfs/dbraw/zinc/77/32/30/1181773230.db2.gz YFRQISLNGPNYEO-STQMWFEESA-N 0 3 305.447 2.246 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001440927289 1181779139 /nfs/dbraw/zinc/77/91/39/1181779139.db2.gz FCUXXPOBXQKCKB-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001441222501 1181900494 /nfs/dbraw/zinc/90/04/94/1181900494.db2.gz DDYGACIBYWWWSC-JGFGOQIWSA-N 0 3 315.392 2.338 20 30 DEEDHN CCC[C@@H](OC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001441595692 1182081036 /nfs/dbraw/zinc/08/10/36/1182081036.db2.gz SFDWMTITQJAQKE-IUODEOHRSA-N 0 3 323.462 2.371 20 30 DEEDHN Cc1ocnc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001442241617 1182386881 /nfs/dbraw/zinc/38/68/81/1182386881.db2.gz NYXVCDIOBOAWQQ-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN CC(F)(F)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001442840249 1182739708 /nfs/dbraw/zinc/73/97/08/1182739708.db2.gz MMQAOGHEQNZCDC-CQSZACIVSA-N 0 3 307.344 2.152 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H]1CCCOC1)C(C)C ZINC001444930422 1183652953 /nfs/dbraw/zinc/65/29/53/1183652953.db2.gz LAUKHHFYADESTI-UONOGXRCSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)CCc1ccccc1Cl ZINC001444955116 1183670631 /nfs/dbraw/zinc/67/06/31/1183670631.db2.gz KFCQPCGQMZJVLX-ZDUSSCGKSA-N 0 3 307.825 2.432 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)[C@@H]3CC3(F)F)CC2)ccc1F ZINC001446163291 1184255513 /nfs/dbraw/zinc/25/55/13/1184255513.db2.gz SDHHKZMIURIDFW-LBPRGKRZSA-N 0 3 323.318 2.091 20 30 DEEDHN C=C(Cl)CN1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001446667383 1184485463 /nfs/dbraw/zinc/48/54/63/1184485463.db2.gz SHZHRZIHZBLPNH-GDBMZVCRSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CC(F)(F)C2)CCOCC1 ZINC001447463084 1184781606 /nfs/dbraw/zinc/78/16/06/1184781606.db2.gz FILHRAJCPHYGFG-UHFFFAOYSA-N 0 3 322.783 2.039 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(NC(=O)CN(C)C(C)C)CCC[C@H]12 ZINC001449006305 1185481697 /nfs/dbraw/zinc/48/16/97/1185481697.db2.gz COOBYSAVZKJVRP-HOCLYGCPSA-N 0 3 313.873 2.192 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1 ZINC001072854286 790274422 /nfs/dbraw/zinc/27/44/22/790274422.db2.gz IVCQOEQCTPENDG-JKSUJKDBSA-N 0 3 314.454 2.409 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC3(C2)CCN(CC#CC)C3)cc1 ZINC001072862247 790277554 /nfs/dbraw/zinc/27/75/54/790277554.db2.gz VOSJEVBSGLDXJH-UHFFFAOYSA-N 0 3 324.424 2.423 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2cnns2)C1 ZINC001332292569 1149845333 /nfs/dbraw/zinc/84/53/33/1149845333.db2.gz MUBRRFYPIKILMH-RYUDHWBXSA-N 0 3 308.451 2.125 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)n([C@H](C)CC)n3)C2)C1 ZINC001072883953 790287201 /nfs/dbraw/zinc/28/72/01/790287201.db2.gz GNASVSGSOHYWLZ-CQSZACIVSA-N 0 3 316.449 2.496 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cccc(COC)c3)C2)C1 ZINC001072901142 790295059 /nfs/dbraw/zinc/29/50/59/790295059.db2.gz AHPZHLRGAJYSDT-UHFFFAOYSA-N 0 3 312.413 2.004 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001332454877 1149861259 /nfs/dbraw/zinc/86/12/59/1149861259.db2.gz WCJWVCMNSVVFAS-MRXNPFEDSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cccc(Cl)c1F ZINC001332664874 1149878007 /nfs/dbraw/zinc/87/80/07/1149878007.db2.gz XPTPWJNHSFWLQQ-NSHDSACASA-N 0 3 314.788 2.030 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccc(COC)o1)C(C)C ZINC001332720944 1149884022 /nfs/dbraw/zinc/88/40/22/1149884022.db2.gz ZHKJPDWQWHPFOM-UHFFFAOYSA-N 0 3 306.406 2.232 20 30 DEEDHN Cc1oncc1CNC[C@@H](NC(=O)C#CC1CC1)C(C)(C)C ZINC001332788743 1149892580 /nfs/dbraw/zinc/89/25/80/1149892580.db2.gz JIBRWJRMLURRGU-OAHLLOKOSA-N 0 3 303.406 2.017 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)/C=C(\C)C2CC2)CC1 ZINC001332973242 1149941642 /nfs/dbraw/zinc/94/16/42/1149941642.db2.gz FQYXOJOHHRPPNF-IYOXOMEYSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCCOC(C)C)CC2)CC1 ZINC001333190415 1150012897 /nfs/dbraw/zinc/01/28/97/1150012897.db2.gz FQVSWIVWFJPMPI-UHFFFAOYSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2onc(C)c2C)CC(C)(C)C1 ZINC001089417678 783084782 /nfs/dbraw/zinc/08/47/82/783084782.db2.gz CLYIIZKKIZIJGN-CQSZACIVSA-N 0 3 303.406 2.145 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccn3nccc23)CC(C)(C)C1 ZINC001089429812 783100047 /nfs/dbraw/zinc/10/00/47/783100047.db2.gz FEENMDVMYXZTKT-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C[C@H]1C ZINC000947348616 783115039 /nfs/dbraw/zinc/11/50/39/783115039.db2.gz QCSFMONMXFUFIE-HIFRSBDPSA-N 0 3 324.380 2.009 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C[C@@H]1C ZINC000947379025 783121759 /nfs/dbraw/zinc/12/17/59/783121759.db2.gz QTCVIQFVBGXVAA-HOCLYGCPSA-N 0 3 322.412 2.293 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2C(CC)CC)C[C@H]1C ZINC000947388019 783125186 /nfs/dbraw/zinc/12/51/86/783125186.db2.gz VXJRXVXKEFGSSU-CABCVRRESA-N 0 3 316.449 2.460 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C[C@@H]1C ZINC000947411531 783130968 /nfs/dbraw/zinc/13/09/68/783130968.db2.gz IITNQVWYAWLXJH-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ncn(C)c32)C[C@H]1C ZINC000947469009 783145329 /nfs/dbraw/zinc/14/53/29/783145329.db2.gz UOKJFTMMXUYZHS-KGLIPLIRSA-N 0 3 312.417 2.342 20 30 DEEDHN CO[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241072 783167244 /nfs/dbraw/zinc/16/72/44/783167244.db2.gz JMGUVLVORFWQBK-IAGOWNOFSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(CCC)on2)CC(C)(C)C1 ZINC001089531011 783187481 /nfs/dbraw/zinc/18/74/81/783187481.db2.gz 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/nfs/dbraw/zinc/40/42/20/790404220.db2.gz DPECKCLSGYQJRJ-RYUDHWBXSA-N 0 3 314.838 2.143 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC001073041142 790412842 /nfs/dbraw/zinc/41/28/42/790412842.db2.gz GQJZDRVLFOJTRU-MSOLQXFVSA-N 0 3 308.425 2.348 20 30 DEEDHN C#CCCCN1CCCn2cnc(COc3cccnc3)c2C1 ZINC001209266772 776683925 /nfs/dbraw/zinc/68/39/25/776683925.db2.gz CIOZQGHKPKTGOG-UHFFFAOYSA-N 0 3 310.401 2.476 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](O)C1 ZINC001090745983 790479597 /nfs/dbraw/zinc/47/95/97/790479597.db2.gz DFTOYIXLGVSOTF-VQHPVUNQSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC001073139623 790481570 /nfs/dbraw/zinc/48/15/70/790481570.db2.gz OEBXPNFJAQRLRX-UHFFFAOYSA-N 0 3 314.404 2.234 20 30 DEEDHN CN1CC[C@H](Nc2cc(Br)ccc2OCC#N)C1 ZINC001167275758 776819633 /nfs/dbraw/zinc/81/96/33/776819633.db2.gz XTSCZBPCSXHBGE-NSHDSACASA-N 0 3 310.195 2.467 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@@H]2CC23CC3)c1 ZINC001167303116 776869876 /nfs/dbraw/zinc/86/98/76/776869876.db2.gz HHROUAUAZJBAPI-AWEZNQCLSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(C)nn2CC)CC1 ZINC001167313632 776888616 /nfs/dbraw/zinc/88/86/16/776888616.db2.gz JQRVGRAEIKFWPU-UHFFFAOYSA-N 0 3 324.856 2.454 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)c(F)c2)o1 ZINC001125405134 776920518 /nfs/dbraw/zinc/92/05/18/776920518.db2.gz FSNCMGUIIIHRSZ-UHFFFAOYSA-N 0 3 315.348 2.427 20 30 DEEDHN COC(=O)[C@H](CS)Nc1ccc([C@@H]2CCCCN2C)cn1 ZINC001167620652 777398527 /nfs/dbraw/zinc/39/85/27/777398527.db2.gz IUUQVNOGXXNCIS-STQMWFEESA-N 0 3 309.435 2.122 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1C ZINC001104448532 777440995 /nfs/dbraw/zinc/44/09/95/777440995.db2.gz SATWIPITVAPMQM-ZYHUDNBSSA-N 0 3 324.799 2.095 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)/C=C\C1CC1)C[C@H](C)O2 ZINC001098577164 777534556 /nfs/dbraw/zinc/53/45/56/777534556.db2.gz BIHHSYNVLUEGIN-XHPSBEMXSA-N 0 3 304.434 2.221 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)nc3)C(C)(C)[C@@H]21 ZINC001087270159 777674672 /nfs/dbraw/zinc/67/46/72/777674672.db2.gz VYLLDBSMLJPSHN-BRWVUGGUSA-N 0 3 311.429 2.242 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)[C@H]21 ZINC001087280424 777707579 /nfs/dbraw/zinc/70/75/79/777707579.db2.gz OUOPXUXRDAPRAS-OIISXLGYSA-N 0 3 324.428 2.128 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)Cc3ccoc3)C(C)(C)[C@H]21 ZINC001087283238 777720731 /nfs/dbraw/zinc/72/07/31/777720731.db2.gz MDXXNTOLDXFYMA-PVAVHDDUSA-N 0 3 300.402 2.061 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1[nH]ccc1C)C[C@@H](C)O2 ZINC001098596483 777866428 /nfs/dbraw/zinc/86/64/28/777866428.db2.gz SVLZABBHWKDKOJ-OAHLLOKOSA-N 0 3 317.433 2.205 20 30 DEEDHN O=C(C#CC1CC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001087357894 777876204 /nfs/dbraw/zinc/87/62/04/777876204.db2.gz YOIYZLOTIAJVJO-HOTSNDJISA-N 0 3 318.848 2.321 20 30 DEEDHN C[C@H](CNc1cccc(F)c1C#N)N(C)C(=O)CN1CCCC1 ZINC001104583523 777950167 /nfs/dbraw/zinc/95/01/67/777950167.db2.gz XRUPAWAUQYXBAU-CYBMUJFWSA-N 0 3 318.396 2.052 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H](O)C1 ZINC001090839868 790588435 /nfs/dbraw/zinc/58/84/35/790588435.db2.gz SJWRGBXAZDLEET-JKSUJKDBSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](O)C1 ZINC001090839947 790587705 /nfs/dbraw/zinc/58/77/05/790587705.db2.gz UCQODJNWMNMNBY-HUUCEWRRSA-N 0 3 306.406 2.144 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc(C(C)C)nc1C ZINC001167712864 778070908 /nfs/dbraw/zinc/07/09/08/778070908.db2.gz JWZQNIMLGSFHHJ-UHFFFAOYSA-N 0 3 310.829 2.370 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1C(F)(F)F ZINC001112041394 778132363 /nfs/dbraw/zinc/13/23/63/778132363.db2.gz MVRQGUWDDOKRRS-MGPQQGTHSA-N 0 3 314.351 2.345 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1ccccc1N(C)C ZINC001125967377 778470555 /nfs/dbraw/zinc/47/05/55/778470555.db2.gz TXTKFOQRUFZKKG-UHFFFAOYSA-N 0 3 301.434 2.152 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C)CCC1)C[C@H](C)O2 ZINC001098623234 778472713 /nfs/dbraw/zinc/47/27/13/778472713.db2.gz BOJWVVKESHBSMG-HNNXBMFYSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090869112 790626912 /nfs/dbraw/zinc/62/69/12/790626912.db2.gz QTUNQCUGKNDAIU-RBUKOAKNSA-N 0 3 324.424 2.323 20 30 DEEDHN N#Cc1ccc(CNC2CC(CNC(=O)C3CCC3)C2)c(F)c1 ZINC001090891313 790649050 /nfs/dbraw/zinc/64/90/50/790649050.db2.gz HMQDURNODREFEN-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccoc2Cl)c1 ZINC001126357379 778822458 /nfs/dbraw/zinc/82/24/58/778822458.db2.gz YQCZXXHGONEMCJ-UHFFFAOYSA-N 0 3 303.749 2.324 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 ZINC001211764411 778846334 /nfs/dbraw/zinc/84/63/34/778846334.db2.gz GLNDXKXZKZYPBU-IAGOWNOFSA-N 0 3 317.433 2.257 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccc4c(c3)COC4)C[C@]2(C)C1 ZINC000982634155 778893105 /nfs/dbraw/zinc/89/31/05/778893105.db2.gz DLVCSNBBHOYHIZ-BGYRXZFFSA-N 0 3 324.424 2.134 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211835569 778938338 /nfs/dbraw/zinc/93/83/38/778938338.db2.gz GTPJDGPCBANQGZ-HZPDHXFCSA-N 0 3 305.422 2.190 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC001167998992 779237122 /nfs/dbraw/zinc/23/71/22/779237122.db2.gz UJWFMARAVLMQEN-JKSUJKDBSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CC=C(C)C)C[C@H]21 ZINC001075804760 779301984 /nfs/dbraw/zinc/30/19/84/779301984.db2.gz ACQBAVAFYOJHJA-MLHJIOFPSA-N 0 3 318.461 2.467 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cccnc3n2)[C@H]1CC ZINC001087578017 779361004 /nfs/dbraw/zinc/36/10/04/779361004.db2.gz WFYJFHAWQMFGJM-GOEBONIOSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc3ccccc3n2)[C@H]1CC ZINC001087602713 779373853 /nfs/dbraw/zinc/37/38/53/779373853.db2.gz BRAZBUPLRBMNNT-FUHWJXTLSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncc(OC)c2C)[C@H]1CC ZINC001087624376 779382524 /nfs/dbraw/zinc/38/25/24/779382524.db2.gz ZUEUXGLSTIUPNV-LSDHHAIUSA-N 0 3 303.406 2.167 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccn(C(C)C)n2)[C@H]1CC ZINC001087665161 779402903 /nfs/dbraw/zinc/40/29/03/779402903.db2.gz ADRVTSYFVWMDMS-JKSUJKDBSA-N 0 3 304.438 2.162 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN2CCC[C@@H]2C)[C@H]1CC ZINC001087725489 779425143 /nfs/dbraw/zinc/42/51/43/779425143.db2.gz QQWZMXVLGRDCHI-SOUVJXGZSA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@H]1CC ZINC001087777505 779446038 /nfs/dbraw/zinc/44/60/38/779446038.db2.gz DSGFDVCRLXOPLS-LSDHHAIUSA-N 0 3 303.406 2.118 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)[C@H]1CC ZINC001087780561 779448569 /nfs/dbraw/zinc/44/85/69/779448569.db2.gz MLXMGOWGLQGYEV-VBNZEHGJSA-N 0 3 316.449 2.303 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCN3C)[C@H]1CC ZINC001087786068 779451689 /nfs/dbraw/zinc/45/16/89/779451689.db2.gz KOXQIFHSEAWELL-DLBZAZTESA-N 0 3 313.445 2.448 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2F)[C@H]1CC ZINC001087816676 779464149 /nfs/dbraw/zinc/46/41/49/779464149.db2.gz AOSQBXJFCCVQQT-DLBZAZTESA-N 0 3 302.393 2.361 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001075828121 779578236 /nfs/dbraw/zinc/57/82/36/779578236.db2.gz AUAWQTRQLZENFK-YESZJQIVSA-N 0 3 312.413 2.099 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@@H]2C1 ZINC001087989454 779618222 /nfs/dbraw/zinc/61/82/22/779618222.db2.gz FXMHFJGIVWSQLQ-CVEARBPZSA-N 0 3 311.429 2.309 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C(C)C)on3)C[C@@H]2C1 ZINC001088056458 779662399 /nfs/dbraw/zinc/66/23/99/779662399.db2.gz YSYVDNZAPVKRHX-CABCVRRESA-N 0 3 315.417 2.215 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)C[C@@H]2C1 ZINC001088083108 779685575 /nfs/dbraw/zinc/68/55/75/779685575.db2.gz AJYJKKZPGIDPDM-CVEARBPZSA-N 0 3 311.429 2.309 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc43)C[C@@H]2C1 ZINC001088085920 779689916 /nfs/dbraw/zinc/68/99/16/779689916.db2.gz LZHTYPBYJBTXAU-ZIFCJYIRSA-N 0 3 308.425 2.130 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccn(C)c3CC)C[C@@H]2C1 ZINC001088106274 779704268 /nfs/dbraw/zinc/70/42/68/779704268.db2.gz STTMRYQPZGUXIC-CVEARBPZSA-N 0 3 313.445 2.005 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)n(C)c3C)C[C@@H]2C1 ZINC001088195202 779768061 /nfs/dbraw/zinc/76/80/61/779768061.db2.gz RPKJBWQJPANMRI-SJORKVTESA-N 0 3 313.445 2.059 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C=C)c3ccccc3)C[C@@H]2C1 ZINC001088209503 779775076 /nfs/dbraw/zinc/77/50/76/779775076.db2.gz ABJVRSZXTFHEGB-QYZOEREBSA-N 0 3 308.425 2.370 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC001088228693 779785263 /nfs/dbraw/zinc/78/52/63/779785263.db2.gz XYGWRXSWNWFBJD-OAHLLOKOSA-N 0 3 312.429 2.250 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001073601122 790734296 /nfs/dbraw/zinc/73/42/96/790734296.db2.gz GRCCCIRXWHDXDY-DLBZAZTESA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001088231826 779787626 /nfs/dbraw/zinc/78/76/26/779787626.db2.gz BIGOGOROECQQGN-JZWGVLFKSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC001088236102 779792744 /nfs/dbraw/zinc/79/27/44/779792744.db2.gz LEJWWPJYOJOSCF-UAGQMJEPSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001073618018 790744696 /nfs/dbraw/zinc/74/46/96/790744696.db2.gz RRUJGPMGWPVDJM-QZTJIDSGSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001073623326 790749151 /nfs/dbraw/zinc/74/91/51/790749151.db2.gz DSAPLSWHYIHZLA-QGZVFWFLSA-N 0 3 302.418 2.068 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(N(C)Cc3cnn(C)c3)CC2)C1 ZINC000985631392 779975967 /nfs/dbraw/zinc/97/59/67/779975967.db2.gz GKIQQEFXFWCHTH-UHFFFAOYSA-N 0 3 316.449 2.199 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001088404818 780078581 /nfs/dbraw/zinc/07/85/81/780078581.db2.gz HEEWRRYFCASEBR-ZDUSSCGKSA-N 0 3 310.829 2.066 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCCC[C@H](NCCF)C2)nc1 ZINC001088414411 780090361 /nfs/dbraw/zinc/09/03/61/780090361.db2.gz GBXWKNMJRGKPCT-HNNXBMFYSA-N 0 3 303.381 2.007 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@@H](C)OC)[C@H](OC)C1 ZINC001212001884 780584129 /nfs/dbraw/zinc/58/41/29/780584129.db2.gz BHOPRZRDOKYDIZ-BZUAXINKSA-N 0 3 314.470 2.197 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2oc(C)nc2C)[C@H](OC)C1 ZINC001212071060 780608004 /nfs/dbraw/zinc/60/80/04/780608004.db2.gz FQOQNZBRLGYMEE-KCPJHIHWSA-N 0 3 321.421 2.075 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)[C@H]1C ZINC001088660411 780697209 /nfs/dbraw/zinc/69/72/09/780697209.db2.gz YBGYKXAGKSQRCH-ZNMIVQPWSA-N 0 3 316.449 2.234 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ncoc2C(F)(F)F)[C@H]1C ZINC001088682050 780708442 /nfs/dbraw/zinc/70/84/42/780708442.db2.gz GSTVYRNDOJFDEF-ZJUUUORDSA-N 0 3 317.311 2.462 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](OC)C1 ZINC001212117716 780862067 /nfs/dbraw/zinc/86/20/67/780862067.db2.gz ZBOSDFVPPZXEFA-IAGOWNOFSA-N 0 3 321.465 2.425 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001075949033 780879843 /nfs/dbraw/zinc/87/98/43/780879843.db2.gz VWGMYNPILGUWMI-SUMWQHHRSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001060038237 780913906 /nfs/dbraw/zinc/91/39/06/780913906.db2.gz VYVWJNYPBLAGAE-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)[C@H]1C ZINC001088732656 780920726 /nfs/dbraw/zinc/92/07/26/780920726.db2.gz HVEIHZAIUDCOQJ-XPKDYRNWSA-N 0 3 318.392 2.457 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c(cn2)CCCC3)[C@H]1C ZINC001088729899 780920907 /nfs/dbraw/zinc/92/09/07/780920907.db2.gz LGVXENRNWBWFMQ-PBHICJAKSA-N 0 3 311.429 2.176 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)nnc2C)[C@H]1C ZINC001088770276 780970066 /nfs/dbraw/zinc/97/00/66/780970066.db2.gz GKTLNDUKURMDNT-CJNGLKHVSA-N 0 3 302.422 2.116 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2coc(=O)c3ccccc23)[C@H]1C ZINC001088789005 780986762 /nfs/dbraw/zinc/98/67/62/780986762.db2.gz PWASEYGPROJHDI-WBMJQRKESA-N 0 3 312.369 2.172 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4c3CCOC4)[C@@H]2C1 ZINC001076029602 781083674 /nfs/dbraw/zinc/08/36/74/781083674.db2.gz VCFGAWKXFLNDTB-KBXCAEBGSA-N 0 3 312.413 2.092 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4nc(C)n(C)c4c3)[C@@H]2C1 ZINC001076123147 781131306 /nfs/dbraw/zinc/13/13/06/781131306.db2.gz DWVQRBBMSWKWPJ-MAUKXSAKSA-N 0 3 324.428 2.214 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1 ZINC001076206497 781168374 /nfs/dbraw/zinc/16/83/74/781168374.db2.gz RGGLNQYLJYSRFX-PKOBYXMFSA-N 0 3 319.408 2.404 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001073784177 790867984 /nfs/dbraw/zinc/86/79/84/790867984.db2.gz XDRQSJMRESZVST-ARFHVFGLSA-N 0 3 318.417 2.166 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cc(F)ccc3F)[C@@H]2C1 ZINC001076487933 781282369 /nfs/dbraw/zinc/28/23/69/781282369.db2.gz WWGAIDNSJWGUPT-SWLSCSKDSA-N 0 3 322.355 2.062 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)[C@@H]2C1 ZINC001076499031 781287616 /nfs/dbraw/zinc/28/76/16/781287616.db2.gz SFBMZGXHEPJVST-FUHWJXTLSA-N 0 3 313.445 2.475 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001076502074 781289236 /nfs/dbraw/zinc/28/92/36/781289236.db2.gz QGPBZYCUBMRCNR-ARFHVFGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(COC)cc3)[C@@H]2C1 ZINC001076555399 781311417 /nfs/dbraw/zinc/31/14/17/781311417.db2.gz KZIQNFILNGOAKR-DLBZAZTESA-N 0 3 300.402 2.165 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001076927935 781427652 /nfs/dbraw/zinc/42/76/52/781427652.db2.gz QYAWPEZFXOLQSJ-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076952540 781436316 /nfs/dbraw/zinc/43/63/16/781436316.db2.gz YXBMPIRXKBCZQN-WMLDXEAASA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CNCc2ncc(Cl)n2C)[C@H](C)C1 ZINC001105926696 781870497 /nfs/dbraw/zinc/87/04/97/781870497.db2.gz BZIXVZINWJHAGN-CHWSQXEVSA-N 0 3 324.856 2.224 20 30 DEEDHN CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212256165 783250555 /nfs/dbraw/zinc/25/05/55/783250555.db2.gz WLWXSXTUDMBJER-HZPDHXFCSA-N 0 3 308.466 2.288 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnoc2C2CC2)C[C@@H]1C ZINC000947887444 783259179 /nfs/dbraw/zinc/25/91/79/783259179.db2.gz WJELRZKARXFHMN-JSGCOSHPSA-N 0 3 301.390 2.158 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c3ccccc3nn2C)C[C@H]1C ZINC000947894991 783260488 /nfs/dbraw/zinc/26/04/88/783260488.db2.gz FDNCRRKEIAGRJW-CABCVRRESA-N 0 3 324.428 2.179 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C2CC2)C[C@H]1C ZINC000947895297 783261857 /nfs/dbraw/zinc/26/18/57/783261857.db2.gz KISRBODKAGVXLR-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OC)c2OC)C[C@@H]1C ZINC000947970749 783280451 /nfs/dbraw/zinc/28/04/51/783280451.db2.gz BBFLSBNHLWMYFQ-UONOGXRCSA-N 0 3 318.417 2.473 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)C[C@@H]1C ZINC000948022839 783295395 /nfs/dbraw/zinc/29/53/95/783295395.db2.gz XWFLXNDGIVQWPH-HOCLYGCPSA-N 0 3 301.434 2.248 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)C[C@@H]1C ZINC000948108490 783325120 /nfs/dbraw/zinc/32/51/20/783325120.db2.gz GLWDWGNOMAYENM-NWDGAFQWSA-N 0 3 315.373 2.302 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001089705701 783367479 /nfs/dbraw/zinc/36/74/79/783367479.db2.gz IDFBRIHPHHTSAK-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC001089734454 783399934 /nfs/dbraw/zinc/39/99/34/783399934.db2.gz QPUNSXOCNLLWHK-SJORKVTESA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000948389015 783448453 /nfs/dbraw/zinc/44/84/53/783448453.db2.gz NJPXVJMVLNNCML-CQSZACIVSA-N 0 3 316.449 2.267 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000948457654 783473900 /nfs/dbraw/zinc/47/39/00/783473900.db2.gz YJZZPDDFMQIDPW-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN CC(F)(F)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000966126969 783572955 /nfs/dbraw/zinc/57/29/55/783572955.db2.gz DEGBEPSILOWHMJ-GFCCVEGCSA-N 0 3 311.307 2.043 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nnc1C ZINC001085210649 783585506 /nfs/dbraw/zinc/58/55/06/783585506.db2.gz QQADFMWNDNFKCM-HUUCEWRRSA-N 0 3 322.840 2.477 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)c3cccnc3)C2)ccc1F ZINC000966185380 783595012 /nfs/dbraw/zinc/59/50/12/783595012.db2.gz GZTZIEXEFYXISR-MRXNPFEDSA-N 0 3 324.359 2.097 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC000966324477 783636283 /nfs/dbraw/zinc/63/62/83/783636283.db2.gz JNPOQNZUKXTIDA-DGCLKSJQSA-N 0 3 310.829 2.090 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC000966360107 783643039 /nfs/dbraw/zinc/64/30/39/783643039.db2.gz VQMHSXLRJNEWEH-TZMCWYRMSA-N 0 3 322.840 2.020 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001085375995 783659137 /nfs/dbraw/zinc/65/91/37/783659137.db2.gz LOJZLXMYASMHBE-UMVBOHGHSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1OC ZINC001085405091 783671628 /nfs/dbraw/zinc/67/16/28/783671628.db2.gz RRGYRKHGBQMBIF-CHWSQXEVSA-N 0 3 323.824 2.473 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001066254249 783675921 /nfs/dbraw/zinc/67/59/21/783675921.db2.gz QNSJKRPVHOXCSQ-WBVHZDCISA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nccc3cccnc32)C1 ZINC000966814121 783767628 /nfs/dbraw/zinc/76/76/28/783767628.db2.gz PPHPDNDIGRVYHY-ZBFHGGJFSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC000966908028 783812578 /nfs/dbraw/zinc/81/25/78/783812578.db2.gz JLRPMNDYTKQWAO-BXUZGUMPSA-N 0 3 324.375 2.431 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncnc2sccc21 ZINC001085603221 783880097 /nfs/dbraw/zinc/88/00/97/783880097.db2.gz YAMFHDYTWCQTQK-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085616954 783890512 /nfs/dbraw/zinc/89/05/12/783890512.db2.gz AAZOISXTKOCFDO-GFCCVEGCSA-N 0 3 312.364 2.391 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085617407 783891611 /nfs/dbraw/zinc/89/16/11/783891611.db2.gz MNQGDCAMQNOWJN-LBPRGKRZSA-N 0 3 312.364 2.391 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967233940 783909944 /nfs/dbraw/zinc/90/99/44/783909944.db2.gz YPTCLCAAXFXMIY-YOEHRIQHSA-N 0 3 311.429 2.423 20 30 DEEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1C[C@H](CC)OC ZINC001085641344 783919131 /nfs/dbraw/zinc/91/91/31/783919131.db2.gz JQMDTJLIRMDUID-HOTGVXAUSA-N 0 3 319.449 2.245 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967333152 783956807 /nfs/dbraw/zinc/95/68/07/783956807.db2.gz GIBUREBTKWTEIN-NVXWUHKLSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC000967357719 783964643 /nfs/dbraw/zinc/96/46/43/783964643.db2.gz NTQDDXRQKSJQEO-SUMWQHHRSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085690702 783969454 /nfs/dbraw/zinc/96/94/54/783969454.db2.gz NLGBSBNWEPRYAY-ZDUSSCGKSA-N 0 3 302.422 2.011 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC000967410163 783988121 /nfs/dbraw/zinc/98/81/21/783988121.db2.gz ZIDVTDKIGLVTCZ-NVXWUHKLSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1COc2ccccc2C1 ZINC001085710170 783995035 /nfs/dbraw/zinc/99/50/35/783995035.db2.gz BNGUSUCFAMTMKJ-SJORKVTESA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001085726271 784012139 /nfs/dbraw/zinc/01/21/39/784012139.db2.gz UADNUGXVFVSDSR-HNNXBMFYSA-N 0 3 303.406 2.072 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085731219 784021402 /nfs/dbraw/zinc/02/14/02/784021402.db2.gz URUAKNYXIMICQG-LUKYLMHMSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001091185373 790992132 /nfs/dbraw/zinc/99/21/32/790992132.db2.gz MNWVLHKNMGBWQT-OZOYIQBDSA-N 0 3 301.228 2.035 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3cscn3)C2)s1 ZINC000967704156 784095737 /nfs/dbraw/zinc/09/57/37/784095737.db2.gz ZIFVMBZMDZVPEX-SNVBAGLBSA-N 0 3 318.427 2.081 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1OC ZINC001085944785 784241924 /nfs/dbraw/zinc/24/19/24/784241924.db2.gz RDXLOSUVSKORKG-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCN1CC[C@H]1CN(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001085970369 784268885 /nfs/dbraw/zinc/26/88/85/784268885.db2.gz YAJYYOCNQKCOCW-ZDUSSCGKSA-N 0 3 300.362 2.002 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001085969735 784269130 /nfs/dbraw/zinc/26/91/30/784269130.db2.gz JHKQFUAZWPHDSN-CQSZACIVSA-N 0 3 314.389 2.392 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001074016731 791013423 /nfs/dbraw/zinc/01/34/23/791013423.db2.gz JBOCVVNBPWXNQM-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(OC)ns2)C1 ZINC001086089409 784401049 /nfs/dbraw/zinc/40/10/49/784401049.db2.gz YGZPOZMEINSABV-AOOOYVTPSA-N 0 3 315.826 2.002 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001086104667 784411739 /nfs/dbraw/zinc/41/17/39/784411739.db2.gz NJJYLFCGPYNGNC-AOOOYVTPSA-N 0 3 317.220 2.222 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC001086147240 784439071 /nfs/dbraw/zinc/43/90/71/784439071.db2.gz YNYYGDHQQGQTNE-XBXGTLAGSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(CC)CC[C@H]1C ZINC000968520904 784443734 /nfs/dbraw/zinc/44/37/34/784443734.db2.gz OKEDZVUIZMGNJK-KGLIPLIRSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001086154936 784447833 /nfs/dbraw/zinc/44/78/33/784447833.db2.gz GMJXIBFDABMPMB-BEAPCOKYSA-N 0 3 312.841 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2OC)C1 ZINC000968580398 784477047 /nfs/dbraw/zinc/47/70/47/784477047.db2.gz VRWTZAHRKRRIBU-ZBFHGGJFSA-N 0 3 300.402 2.159 20 30 DEEDHN C[C@@H](N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1ccccc1F ZINC000968617922 784503496 /nfs/dbraw/zinc/50/34/96/784503496.db2.gz PQBYUQLUWFGLAG-UKRRQHHQSA-N 0 3 300.377 2.491 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC000968876599 784632273 /nfs/dbraw/zinc/63/22/73/784632273.db2.gz HGXUJJKBCRUJFN-CYBMUJFWSA-N 0 3 321.371 2.358 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC000968936334 784659722 /nfs/dbraw/zinc/65/97/22/784659722.db2.gz DULSTFZMHJYOAD-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)nnc2CC)C1 ZINC001086405860 784682356 /nfs/dbraw/zinc/68/23/56/784682356.db2.gz VIIXLCAYIFRJIL-JOCQHMNTSA-N 0 3 322.840 2.198 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3nccn32)C1 ZINC001086427180 784719094 /nfs/dbraw/zinc/71/90/94/784719094.db2.gz DPMJARWDGWCDDN-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCNCc1nsc2ccccc12 ZINC001155849301 784746467 /nfs/dbraw/zinc/74/64/67/784746467.db2.gz WVVPIDYNVOKWIU-NSHDSACASA-N 0 3 302.403 2.052 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001091233775 791055009 /nfs/dbraw/zinc/05/50/09/791055009.db2.gz PLVVEFFNWCZFQO-UGWHAMFMSA-N 0 3 319.836 2.033 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(CCC(C)(C)O)CC1 ZINC001171230589 791070227 /nfs/dbraw/zinc/07/02/27/791070227.db2.gz FCEJVDALQFQJDP-MRXNPFEDSA-N 0 3 315.461 2.268 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2nc(CC)oc2C)C1 ZINC001091277109 791075270 /nfs/dbraw/zinc/07/52/70/791075270.db2.gz GSNBLTOJSSMCQI-UHFFFAOYSA-N 0 3 311.813 2.396 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc2nccnc21 ZINC001169090282 785039409 /nfs/dbraw/zinc/03/94/09/785039409.db2.gz KMVGYBOBTNBHMK-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN C=CCc1ccnc(-n2ccc([C@@H](C)N)n2)c1C(OC)OC ZINC001169229131 785097426 /nfs/dbraw/zinc/09/74/26/785097426.db2.gz FLKQWCOUYZSGQL-LLVKDONJSA-N 0 3 302.378 2.307 20 30 DEEDHN Cc1ncoc1CNCCCC[C@H](C)NC(=O)CSCC#N ZINC001169257934 785120034 /nfs/dbraw/zinc/12/00/34/785120034.db2.gz JSDKXJFPTBNZKE-LBPRGKRZSA-N 0 3 324.450 2.004 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001008147178 785120705 /nfs/dbraw/zinc/12/07/05/785120705.db2.gz IAOJAAOPUNIVRQ-AWEZNQCLSA-N 0 3 324.380 2.011 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001008293626 785163789 /nfs/dbraw/zinc/16/37/89/785163789.db2.gz PIXAXHFMUMYPSV-UKRRQHHQSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001204028923 785345350 /nfs/dbraw/zinc/34/53/50/785345350.db2.gz RUWWJWSSRDMYPN-AWPPVZKDSA-N 0 3 321.248 2.477 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001169848434 785386857 /nfs/dbraw/zinc/38/68/57/785386857.db2.gz OPXWYOMMMLLYFA-GJZGRUSLSA-N 0 3 312.417 2.483 20 30 DEEDHN C[C@H](CCCCNCc1ccccc1C#N)NC(=O)[C@@H](C)C#N ZINC001169848436 785387812 /nfs/dbraw/zinc/38/78/12/785387812.db2.gz OPXWYOMMMLLYFA-LSDHHAIUSA-N 0 3 312.417 2.483 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001009403720 785448836 /nfs/dbraw/zinc/44/88/36/785448836.db2.gz USGNHAGOOZKNEQ-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001009617057 785494171 /nfs/dbraw/zinc/49/41/71/785494171.db2.gz HULLAQQRIFJEGG-CYBMUJFWSA-N 0 3 307.463 2.405 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009693704 785505743 /nfs/dbraw/zinc/50/57/43/785505743.db2.gz WWUCNWZNTWZXNO-XLIONFOSSA-N 0 3 310.441 2.494 20 30 DEEDHN CC[C@@H](SC)C(=O)NCCCNCc1ccccc1C#N ZINC001156633944 785782158 /nfs/dbraw/zinc/78/21/58/785782158.db2.gz GDLVRZSHDJPLKE-OAHLLOKOSA-N 0 3 305.447 2.296 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C2 ZINC001109666356 785978309 /nfs/dbraw/zinc/97/83/09/785978309.db2.gz VPAPTTPATLBWSS-RNJOBUHISA-N 0 3 302.340 2.320 20 30 DEEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)CC1 ZINC001109681933 785985596 /nfs/dbraw/zinc/98/55/96/785985596.db2.gz MTUHNNUXWBKKCZ-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113068657 786390617 /nfs/dbraw/zinc/39/06/17/786390617.db2.gz XGUQQVIDMQYHEB-OLZOCXBDSA-N 0 3 320.412 2.343 20 30 DEEDHN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001086582316 786433306 /nfs/dbraw/zinc/43/33/06/786433306.db2.gz KREYMDYAAXVXGJ-ZWKOTPCHSA-N 0 3 324.428 2.031 20 30 DEEDHN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001086582316 786433315 /nfs/dbraw/zinc/43/33/15/786433315.db2.gz KREYMDYAAXVXGJ-ZWKOTPCHSA-N 0 3 324.428 2.031 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2csc([C@H](C)OC)n2)C1 ZINC001014423903 786578769 /nfs/dbraw/zinc/57/87/69/786578769.db2.gz LKIHQRBALHUHGR-NWDGAFQWSA-N 0 3 309.435 2.231 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2coc(Br)c2)C1 ZINC001014627939 786665302 /nfs/dbraw/zinc/66/53/02/786665302.db2.gz PARKRYCWJMEMLH-NSHDSACASA-N 0 3 313.195 2.422 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015035334 786871353 /nfs/dbraw/zinc/87/13/53/786871353.db2.gz ZHPSAPHLEGYMMY-LJQANCHMSA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)CCCCNCc1nccn1C ZINC001170283698 786900170 /nfs/dbraw/zinc/90/01/70/786900170.db2.gz WVZDWEANBGIRPB-INIZCTEOSA-N 0 3 318.465 2.378 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCO[C@H](CC)C1 ZINC001170408458 786947979 /nfs/dbraw/zinc/94/79/79/786947979.db2.gz FHPDNLVWRBYHDH-UONOGXRCSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccncc2OC(C)C)C1 ZINC001015376010 787022539 /nfs/dbraw/zinc/02/25/39/787022539.db2.gz HHKCZLTYCNJREZ-CQSZACIVSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015392007 787028257 /nfs/dbraw/zinc/02/82/57/787028257.db2.gz LZAFTFSWUDCZOF-VIFPVBQESA-N 0 3 303.284 2.074 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC001015446369 787058290 /nfs/dbraw/zinc/05/82/90/787058290.db2.gz MEQNNTBJOQQQBQ-LBPRGKRZSA-N 0 3 318.446 2.323 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001015594717 787129169 /nfs/dbraw/zinc/12/91/69/787129169.db2.gz ZZKHWOLLBBVTIE-CYBMUJFWSA-N 0 3 311.360 2.201 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001170438615 787148749 /nfs/dbraw/zinc/14/87/49/787148749.db2.gz MOHSIRISWCLJDI-SUMWQHHRSA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001129514080 787223301 /nfs/dbraw/zinc/22/33/01/787223301.db2.gz KKBMIXAEVBHJLV-UHFFFAOYSA-N 0 3 308.385 2.065 20 30 DEEDHN CCCCCCCCOCC(=O)NCCNCc1cncn1C ZINC001129522831 787223982 /nfs/dbraw/zinc/22/39/82/787223982.db2.gz MJBPXRPUAHHDMM-UHFFFAOYSA-N 0 3 324.469 2.003 20 30 DEEDHN CCC(C)(C)c1ccc(C(=O)NCCNCC#CCOC)cc1 ZINC001130059114 787281807 /nfs/dbraw/zinc/28/18/07/787281807.db2.gz VUTVFFUIEDPNEP-UHFFFAOYSA-N 0 3 316.445 2.343 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2ccccc2)cc1F ZINC001130347376 787354010 /nfs/dbraw/zinc/35/40/10/787354010.db2.gz GFKWDBJSQCWHDQ-UHFFFAOYSA-N 0 3 311.360 2.146 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)/C=C(/C)C2CC2)C1 ZINC001130352704 787359425 /nfs/dbraw/zinc/35/94/25/787359425.db2.gz XDVHPRKDWMCVQI-UZGISAJGSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)CCC)C1 ZINC001130365720 787367071 /nfs/dbraw/zinc/36/70/71/787367071.db2.gz ZUOHBBKKIDIMRP-ZIAGYGMSSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100166419 787490535 /nfs/dbraw/zinc/49/05/35/787490535.db2.gz GHVXZQRFYOVCDA-HSBZDZAISA-N 0 3 300.830 2.205 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001096099766 787504033 /nfs/dbraw/zinc/50/40/33/787504033.db2.gz BNGNTYQCMVWUES-SQNIBIBYSA-N 0 3 307.397 2.298 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOc3ccccc31)C2 ZINC001096178773 787562455 /nfs/dbraw/zinc/56/24/55/787562455.db2.gz TWSSXQLETVCSBE-BGTYHANMSA-N 0 3 324.424 2.298 20 30 DEEDHN C[C@H](Nc1nccc(-c2ccccc2)c1C#N)[C@@H]1CNCCO1 ZINC001170558834 787611997 /nfs/dbraw/zinc/61/19/97/787611997.db2.gz RHMDUKNXYDCADN-GUYCJALGSA-N 0 3 308.385 2.409 20 30 DEEDHN C[C@@H](Nc1ccc2cc(C#N)c(C#N)cc2c1)[C@H]1CNCCO1 ZINC001170568709 787648293 /nfs/dbraw/zinc/64/82/93/787648293.db2.gz HDQRQLDUKNJSGW-KZULUSFZSA-N 0 3 306.369 2.372 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCSC)C[C@H](C)O2 ZINC001131624308 787665777 /nfs/dbraw/zinc/66/57/77/787665777.db2.gz IMCCIEGZRATNOU-HOCLYGCPSA-N 0 3 312.479 2.007 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccc(C)nc2)CC[C@H]1C ZINC001131804335 787746262 /nfs/dbraw/zinc/74/62/62/787746262.db2.gz YAVPNGXZVVZLND-WBVHZDCISA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1n[nH]c3ccccc31)C2 ZINC001096604821 787754518 /nfs/dbraw/zinc/75/45/18/787754518.db2.gz PSWLNJHCHHHOGE-BVGQSLNGSA-N 0 3 324.428 2.403 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCc2ccco2)CC[C@H]1C ZINC001131820018 787760784 /nfs/dbraw/zinc/76/07/84/787760784.db2.gz AXXVGEHODZTJHU-HZPDHXFCSA-N 0 3 320.433 2.384 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C2 ZINC001096642884 787777694 /nfs/dbraw/zinc/77/76/94/787777694.db2.gz CIRSZIMBRCONCE-NCOADZHNSA-N 0 3 316.449 2.359 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCn2nc(C)cc2C)C1 ZINC001131894833 787786213 /nfs/dbraw/zinc/78/62/13/787786213.db2.gz BUKLISSDMOXAHZ-RDJZCZTQSA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCc2ccoc2)CC[C@@H]1C ZINC001131965008 787856141 /nfs/dbraw/zinc/85/61/41/787856141.db2.gz OBCFFRZVSKXKJZ-DOTOQJQBSA-N 0 3 320.433 2.384 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132038004 787901660 /nfs/dbraw/zinc/90/16/60/787901660.db2.gz MCIXYBBUIFLBBI-HOTGVXAUSA-N 0 3 306.450 2.208 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132095564 787925299 /nfs/dbraw/zinc/92/52/99/787925299.db2.gz ZSCBJOQACLHFNP-KGLIPLIRSA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCCC[N@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@@H]1C ZINC001132236152 787988265 /nfs/dbraw/zinc/98/82/65/787988265.db2.gz ZBCUKPQMWIABAS-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@@H]1C ZINC001132236152 787988272 /nfs/dbraw/zinc/98/82/72/787988272.db2.gz ZBCUKPQMWIABAS-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001132292409 788014433 /nfs/dbraw/zinc/01/44/33/788014433.db2.gz QODYXBGTKTXORK-GDBMZVCRSA-N 0 3 306.450 2.348 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)s1)C(F)(F)F ZINC001132474421 788091897 /nfs/dbraw/zinc/09/18/97/788091897.db2.gz BDQQPIFBQKUQCG-MRVPVSSYSA-N 0 3 305.325 2.024 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001132487115 788092947 /nfs/dbraw/zinc/09/29/47/788092947.db2.gz RMTULICOLAJMGH-HZPDHXFCSA-N 0 3 319.449 2.293 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCn2cccn2)CC[C@H]1C ZINC001132490726 788102646 /nfs/dbraw/zinc/10/26/46/788102646.db2.gz XYKLGXNLGCZYEL-CVEARBPZSA-N 0 3 304.438 2.209 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCn2cc(Cl)cn2)CC[C@@H]1C ZINC001132505550 788108802 /nfs/dbraw/zinc/10/88/02/788108802.db2.gz SZBGDKYELLZCBT-GXTWGEPZSA-N 0 3 310.829 2.082 20 30 DEEDHN C=C/C(C)=C\CC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132516321 788113219 /nfs/dbraw/zinc/11/32/19/788113219.db2.gz XTGPTBMKXOCZST-RZNTYIFUSA-N 0 3 313.401 2.295 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001132564541 788131966 /nfs/dbraw/zinc/13/19/66/788131966.db2.gz HCVFKDYJDKQQQM-OLZOCXBDSA-N 0 3 308.397 2.498 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001132591836 788140128 /nfs/dbraw/zinc/14/01/28/788140128.db2.gz XOWCSGOMJRQZJA-UHFFFAOYSA-N 0 3 306.381 2.234 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1cc(F)c(OC)c(F)c1 ZINC001132592805 788141170 /nfs/dbraw/zinc/14/11/70/788141170.db2.gz DDOQRORAJSCTHT-UHFFFAOYSA-N 0 3 324.371 2.373 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132660360 788158066 /nfs/dbraw/zinc/15/80/66/788158066.db2.gz LTHOJAAHCKQVOH-AWEZNQCLSA-N 0 3 306.454 2.446 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001132667987 788160932 /nfs/dbraw/zinc/16/09/32/788160932.db2.gz YNAYWSMUTJEUTL-JKSUJKDBSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001132671534 788162106 /nfs/dbraw/zinc/16/21/06/788162106.db2.gz VFZRWYCAHFHQHI-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@H](CNCc2cnns2)C1 ZINC001132700170 788172401 /nfs/dbraw/zinc/17/24/01/788172401.db2.gz DDDFXSAOKHXWTI-CHWSQXEVSA-N 0 3 308.451 2.079 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3cccnc31)C2 ZINC001097693963 788183660 /nfs/dbraw/zinc/18/36/60/788183660.db2.gz KJBXCZNDVPTYRQ-XDNAFOTISA-N 0 3 323.440 2.246 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c3cnccc13)C2 ZINC001097713130 788192585 /nfs/dbraw/zinc/19/25/85/788192585.db2.gz QWUUOPPZBCJCJC-KYJSFNMBSA-N 0 3 324.428 2.403 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001097735544 788204839 /nfs/dbraw/zinc/20/48/39/788204839.db2.gz IHJXODBLJLOCET-OIISXLGYSA-N 0 3 310.401 2.474 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001133091244 788279239 /nfs/dbraw/zinc/27/92/39/788279239.db2.gz PICRKUATGSWRKU-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCC(=O)NCCN[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC001133157725 788298830 /nfs/dbraw/zinc/29/88/30/788298830.db2.gz NTUZOCFZYWHBFT-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N(C)CC1CCCCC1 ZINC001133145419 788300151 /nfs/dbraw/zinc/30/01/51/788300151.db2.gz YHTROXULCMXNRK-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4ccnn4)cc3)CCC2S1 ZINC001137362833 788324066 /nfs/dbraw/zinc/32/40/66/788324066.db2.gz ZIMMIQAEEFWCKE-HNNXBMFYSA-N 0 3 312.398 2.041 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4ccnn4)cc3)CC[C@@H]2S1 ZINC001137362833 788324073 /nfs/dbraw/zinc/32/40/73/788324073.db2.gz ZIMMIQAEEFWCKE-HNNXBMFYSA-N 0 3 312.398 2.041 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001133379351 788391910 /nfs/dbraw/zinc/39/19/10/788391910.db2.gz YGCDDENCFMVUDS-GOSISDBHSA-N 0 3 315.417 2.375 20 30 DEEDHN C=CCCC1(C(=O)NCCNC[C@@H](O)c2ccccc2F)CC1 ZINC001133378674 788393342 /nfs/dbraw/zinc/39/33/42/788393342.db2.gz KDRDWRAODXROMY-MRXNPFEDSA-N 0 3 320.408 2.311 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001133383630 788395819 /nfs/dbraw/zinc/39/58/19/788395819.db2.gz VHUOLRVCWDPVTG-RDTXWAMCSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)c1cnco1 ZINC001133404043 788402741 /nfs/dbraw/zinc/40/27/41/788402741.db2.gz VSQZUAFFRMCOGQ-UHFFFAOYSA-N 0 3 317.776 2.193 20 30 DEEDHN COCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133486485 788447345 /nfs/dbraw/zinc/44/73/45/788447345.db2.gz MCUVUMRRTKTIOW-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)C2 ZINC001098048244 788457792 /nfs/dbraw/zinc/45/77/92/788457792.db2.gz HWVHCWJSRJYYHE-MPESAESLSA-N 0 3 316.449 2.428 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOc3ccccc31)C2 ZINC001098048519 788458793 /nfs/dbraw/zinc/45/87/93/788458793.db2.gz TWSSXQLETVCSBE-SPUZQDLCSA-N 0 3 324.424 2.298 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1cnccn1)NCc1ccccc1C#N ZINC001133548751 788482144 /nfs/dbraw/zinc/48/21/44/788482144.db2.gz AFYVEIYPEVLINK-ZIAGYGMSSA-N 0 3 323.400 2.035 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNCC(=O)N[C@H](C)CCCCC)C1 ZINC001133565499 788490201 /nfs/dbraw/zinc/49/02/01/788490201.db2.gz CLWVAIRIOMRKJP-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C#Cc1cncc(C(=O)NCCN[C@@H](C)c2cccc(F)c2)c1 ZINC001133597345 788514949 /nfs/dbraw/zinc/51/49/49/788514949.db2.gz OFMXNISUDJVIBJ-ZDUSSCGKSA-N 0 3 311.360 2.283 20 30 DEEDHN C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001133723366 788577245 /nfs/dbraw/zinc/57/72/45/788577245.db2.gz VKDIPBYDQXUWMN-UONOGXRCSA-N 0 3 306.406 2.081 20 30 DEEDHN COCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133799882 788617140 /nfs/dbraw/zinc/61/71/40/788617140.db2.gz WULOGLOYHKRXMJ-LSDHHAIUSA-N 0 3 317.433 2.358 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ocnc2C(F)F)c1 ZINC001133925753 788678559 /nfs/dbraw/zinc/67/85/59/788678559.db2.gz UDCLUADQYUAXGW-UHFFFAOYSA-N 0 3 320.299 2.003 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)c1cocn1 ZINC001133941824 788687146 /nfs/dbraw/zinc/68/71/46/788687146.db2.gz DTORLXFHEJKXIF-NXEZZACHSA-N 0 3 316.199 2.070 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)s1)C(C)(F)F ZINC001133968351 788696348 /nfs/dbraw/zinc/69/63/48/788696348.db2.gz VZZURZKQTZIXLF-VIFPVBQESA-N 0 3 301.362 2.117 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001134018928 788714673 /nfs/dbraw/zinc/71/46/73/788714673.db2.gz QPDZAROIBSPIRN-KBPBESRZSA-N 0 3 323.437 2.339 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)no1 ZINC001134014597 788720486 /nfs/dbraw/zinc/72/04/86/788720486.db2.gz RIMLMEKVGKVAJX-ZIAGYGMSSA-N 0 3 323.437 2.339 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)CC(C)(C)O)NCc1ccccc1C#N ZINC001134234983 788818832 /nfs/dbraw/zinc/81/88/32/788818832.db2.gz LNBDSCBUBQJPEM-ZIAGYGMSSA-N 0 3 317.433 2.092 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)C#CC1CC1)NCc1nccn1C(F)F ZINC001134326714 788873679 /nfs/dbraw/zinc/87/36/79/788873679.db2.gz VAYJPHCEBOSUEY-RYUDHWBXSA-N 0 3 324.375 2.065 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001134410459 788918172 /nfs/dbraw/zinc/91/81/72/788918172.db2.gz RCNZFTTUHGXVJI-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccnc(OC)n1 ZINC001134469830 788938277 /nfs/dbraw/zinc/93/82/77/788938277.db2.gz IUWLWVPZXYWIGF-KGLIPLIRSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001134454029 788939508 /nfs/dbraw/zinc/93/95/08/788939508.db2.gz PPGYXDIIDGYYGG-UONOGXRCSA-N 0 3 306.454 2.395 20 30 DEEDHN CCC[C@H](CC1CCCC1)C(=O)NCCNCC#CCOC ZINC001134693256 789034126 /nfs/dbraw/zinc/03/41/26/789034126.db2.gz QVGRSUFSWHSMSE-QGZVFWFLSA-N 0 3 308.466 2.339 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C ZINC001135189405 789229686 /nfs/dbraw/zinc/22/96/86/789229686.db2.gz ZFIZJEYZHCSCBA-HOTGVXAUSA-N 0 3 318.465 2.377 20 30 DEEDHN C#CCCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nccn1C ZINC001135189406 789230161 /nfs/dbraw/zinc/23/01/61/789230161.db2.gz ZFIZJEYZHCSCBA-HZPDHXFCSA-N 0 3 318.465 2.377 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccn(CC)n1 ZINC001135236766 789254968 /nfs/dbraw/zinc/25/49/68/789254968.db2.gz WJPNMEMXPQRCHF-UONOGXRCSA-N 0 3 306.454 2.488 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001070462445 789338292 /nfs/dbraw/zinc/33/82/92/789338292.db2.gz GGEPVTWHIPDKDV-DOTOQJQBSA-N 0 3 316.449 2.070 20 30 DEEDHN CCCc1cc(C#N)c(N[C@@H](C)[C@@H]2CNCCO2)nc1Cl ZINC001159496393 789412194 /nfs/dbraw/zinc/41/21/94/789412194.db2.gz CWEXXKKJLGCVKO-GWCFXTLKSA-N 0 3 308.813 2.348 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001070741049 789445254 /nfs/dbraw/zinc/44/52/54/789445254.db2.gz UQOPCADMLPUBAU-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001086800078 789538389 /nfs/dbraw/zinc/53/83/89/789538389.db2.gz TVIMOWSGFRCJNV-QWHCGFSZSA-N 0 3 323.824 2.336 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C)CCCC1)C[C@H](C)O2 ZINC001071194802 789585134 /nfs/dbraw/zinc/58/51/34/789585134.db2.gz OFBMWDCHVSFFNQ-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cc1ccco1)C[C@H](C)O2 ZINC001071222429 789601415 /nfs/dbraw/zinc/60/14/15/789601415.db2.gz BUWLYHLYSORGLR-YJBOKZPZSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnn2CCC)CC[C@H]1C ZINC001071540973 789768454 /nfs/dbraw/zinc/76/84/54/789768454.db2.gz YLXTZJXZGTZGEY-HUUCEWRRSA-N 0 3 304.438 2.452 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cnn3ccccc23)CC[C@H]1C ZINC001071576906 789789413 /nfs/dbraw/zinc/78/94/13/789789413.db2.gz SEOMXSMCCINUSQ-ZBFHGGJFSA-N 0 3 312.417 2.032 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nccc3cccnc32)CC[C@@H]1C ZINC001071576360 789789834 /nfs/dbraw/zinc/78/98/34/789789834.db2.gz DMEZFTFMACNFIW-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(F)cn2)CC[C@@H]1C ZINC001071613086 789816067 /nfs/dbraw/zinc/81/60/67/789816067.db2.gz RHXVZEKJTOEUEH-XJKSGUPXSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)CC[C@H]1C ZINC001071624981 789823175 /nfs/dbraw/zinc/82/31/75/789823175.db2.gz LQIYCDPMAZOJQK-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cn2nc(C)cc2C)CC[C@@H]1C ZINC001071665588 789850865 /nfs/dbraw/zinc/85/08/65/789850865.db2.gz GVQSRYIRALJXDE-GOEBONIOSA-N 0 3 304.438 2.045 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@H]1C ZINC001071667132 789852414 /nfs/dbraw/zinc/85/24/14/789852414.db2.gz UMONIJBFFAYRNS-HIFRSBDPSA-N 0 3 318.417 2.415 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(Cl)cn2C)CC[C@H]1C ZINC001071670026 789853326 /nfs/dbraw/zinc/85/33/26/789853326.db2.gz DSGRIQZIZQYREW-TZMCWYRMSA-N 0 3 307.825 2.285 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cc(OCC)no2)CC[C@@H]1C ZINC001071688869 789866906 /nfs/dbraw/zinc/86/69/06/789866906.db2.gz ANUBUBWKFMYBDQ-QWHCGFSZSA-N 0 3 307.394 2.232 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2occ3c2CCC3)CC[C@@H]1C ZINC001071712594 789880602 /nfs/dbraw/zinc/88/06/02/789880602.db2.gz QUQJACLQWHVJPF-ZFWWWQNUSA-N 0 3 300.402 2.374 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3n2CCCC3)CC[C@H]1C ZINC001071766111 789909282 /nfs/dbraw/zinc/90/92/82/789909282.db2.gz QHUICOMRQVNNBY-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3nonc3c2)CC[C@@H]1C ZINC001071793079 789922019 /nfs/dbraw/zinc/92/20/19/789922019.db2.gz URRXGTIDIPRXTI-GXTWGEPZSA-N 0 3 314.389 2.382 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccncc2Cl)CC[C@@H]1C ZINC001071820886 789928913 /nfs/dbraw/zinc/92/89/13/789928913.db2.gz FZADGEUUNVSPBF-ZFWWWQNUSA-N 0 3 319.836 2.270 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(C(C)C)n2)CC[C@H]1C ZINC001071866087 789949505 /nfs/dbraw/zinc/94/95/05/789949505.db2.gz RNBOMSRSDSXHMF-CABCVRRESA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)CC[C@@H]1C ZINC001071890245 789960824 /nfs/dbraw/zinc/96/08/24/789960824.db2.gz IRGISPLPIJZNCB-HOCLYGCPSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(C(F)F)c2)CC[C@@H]1C ZINC001071938917 789980273 /nfs/dbraw/zinc/98/02/73/789980273.db2.gz PLUZIYTUWYTJON-WCQYABFASA-N 0 3 312.364 2.437 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(CC(C)C)c2)CC[C@@H]1C ZINC001071938549 789980327 /nfs/dbraw/zinc/98/03/27/789980327.db2.gz NSWJEPLIPDTCLY-DOTOQJQBSA-N 0 3 316.449 2.145 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@H]1C ZINC001071973628 789995150 /nfs/dbraw/zinc/99/51/50/789995150.db2.gz HRKZACPGHDBUKP-HIFRSBDPSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)CC[C@H]1C ZINC001071973628 789995154 /nfs/dbraw/zinc/99/51/54/789995154.db2.gz HRKZACPGHDBUKP-HIFRSBDPSA-N 0 3 316.449 2.448 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(N(C)C)cn2)CC[C@H]1C ZINC001072106425 790054721 /nfs/dbraw/zinc/05/47/21/790054721.db2.gz QMLINKKBDNLTRR-HUUCEWRRSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@@H]1C ZINC001072129518 790064037 /nfs/dbraw/zinc/06/40/37/790064037.db2.gz LYYYLFFYKBVTFY-RDJZCZTQSA-N 0 3 313.445 2.430 20 30 DEEDHN CC#CCN1CC[C@@H](CN(Cc2scnc2C)C(C)=O)C1 ZINC001072131940 790064818 /nfs/dbraw/zinc/06/48/18/790064818.db2.gz HTPGHCKCZDAMIJ-OAHLLOKOSA-N 0 3 305.447 2.145 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@@H](C)C1 ZINC001075096651 791460459 /nfs/dbraw/zinc/46/04/59/791460459.db2.gz DEZIVUIXMIAIPJ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001075136564 791476675 /nfs/dbraw/zinc/47/66/75/791476675.db2.gz DSDGBZOTVFXKEZ-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C(C2CC2)C2CC2)cc1F ZINC001147222644 791489038 /nfs/dbraw/zinc/48/90/38/791489038.db2.gz TYLZMBLYPYIFRF-UHFFFAOYSA-N 0 3 315.392 2.339 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001075312380 791577757 /nfs/dbraw/zinc/57/77/57/791577757.db2.gz IXKMFDLQZNOKQQ-CABCVRRESA-N 0 3 318.465 2.207 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2cnns2)[C@@H](C)C1 ZINC001075314515 791580441 /nfs/dbraw/zinc/58/04/41/791580441.db2.gz GHUBPCRPXSVRPO-STQMWFEESA-N 0 3 322.478 2.325 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001098495041 791640558 /nfs/dbraw/zinc/64/05/58/791640558.db2.gz YUWLCALMMXAXFU-DZUCGIPZSA-N 0 3 312.413 2.460 20 30 DEEDHN COCC#CCNCCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001148033562 791676107 /nfs/dbraw/zinc/67/61/07/791676107.db2.gz VRIUEBGRLNGBKT-UHFFFAOYSA-N 0 3 314.385 2.019 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001148128944 791697343 /nfs/dbraw/zinc/69/73/43/791697343.db2.gz ATBYZEOBLTXWNA-INIZCTEOSA-N 0 3 316.449 2.020 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(C)o2)C1 ZINC001098795014 791708868 /nfs/dbraw/zinc/70/88/68/791708868.db2.gz LXXYEQUWIZTQBG-YJBOKZPZSA-N 0 3 300.402 2.125 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001148463254 791751152 /nfs/dbraw/zinc/75/11/52/791751152.db2.gz CHUCBZVKSONPKN-NVXWUHKLSA-N 0 3 300.402 2.418 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCc3ccsc3)C[C@]2(C)C1 ZINC001091738365 791784098 /nfs/dbraw/zinc/78/40/98/791784098.db2.gz VNRBJSBZBYUCGT-WBVHZDCISA-N 0 3 302.443 2.094 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)N[C@@H](C)CC ZINC001148727538 791793783 /nfs/dbraw/zinc/79/37/83/791793783.db2.gz BKJDQDBBNFMSIU-HNNXBMFYSA-N 0 3 313.486 2.358 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001148727722 791793822 /nfs/dbraw/zinc/79/38/22/791793822.db2.gz IIGFKZPNJBTYQO-HNNXBMFYSA-N 0 3 311.470 2.064 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CCc2ccccc2)c1 ZINC001148825907 791803764 /nfs/dbraw/zinc/80/37/64/791803764.db2.gz OCRDSDVFVZMXOB-UHFFFAOYSA-N 0 3 307.397 2.397 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C)nc3)C2)CC1 ZINC001086904150 791843406 /nfs/dbraw/zinc/84/34/06/791843406.db2.gz YKJSFFNECCBQNX-MRXNPFEDSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCCO3)C2)CC1 ZINC001086907055 791845490 /nfs/dbraw/zinc/84/54/90/791845490.db2.gz LYDRTBLIHAREPS-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3CCOCC3)C2)CC1 ZINC001086912457 791848479 /nfs/dbraw/zinc/84/84/79/791848479.db2.gz RHWPQAWZYNNXLV-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3coc(CC)n3)C2)CC1 ZINC001086917653 791849709 /nfs/dbraw/zinc/84/97/09/791849709.db2.gz PLWUCLPQTTXLQM-CQSZACIVSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(F)cn3)C2)CC1 ZINC001086918029 791850888 /nfs/dbraw/zinc/85/08/88/791850888.db2.gz DEQHPPXEZCDQSL-AWEZNQCLSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](OC)C3CC3)C2)CC1 ZINC001086919935 791851730 /nfs/dbraw/zinc/85/17/30/791851730.db2.gz BUVJTAWNSNVLFX-NVXWUHKLSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3c[nH]nc3C)C2)CC1 ZINC001086935560 791855563 /nfs/dbraw/zinc/85/55/63/791855563.db2.gz UPTHLJBVSZTTSA-AWEZNQCLSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCn3cccc3)C2)CC1 ZINC001086950736 791862147 /nfs/dbraw/zinc/86/21/47/791862147.db2.gz IYNGGPXRLIWICO-QGZVFWFLSA-N 0 3 313.445 2.214 20 30 DEEDHN C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001171362839 791873013 /nfs/dbraw/zinc/87/30/13/791873013.db2.gz MPCQVFFCLJZBFT-XEZPLFJOSA-N 0 3 318.421 2.104 20 30 DEEDHN C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001171362839 791873017 /nfs/dbraw/zinc/87/30/17/791873017.db2.gz MPCQVFFCLJZBFT-XEZPLFJOSA-N 0 3 318.421 2.104 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4ccsc4[nH]3)C[C@]2(C)C1 ZINC001091899383 791897051 /nfs/dbraw/zinc/89/70/51/791897051.db2.gz UACGWQFWUMDGDJ-DYVFJYSZSA-N 0 3 313.426 2.257 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@]2(C)C1 ZINC001091962629 791905923 /nfs/dbraw/zinc/90/59/23/791905923.db2.gz JMFBVVAVBAIWLI-ACJLOTCBSA-N 0 3 318.367 2.382 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ncsc3C3CC3)C[C@]2(C)C1 ZINC001092010017 791921727 /nfs/dbraw/zinc/92/17/27/791921727.db2.gz PEEKVAQMMPNIFT-DYVFJYSZSA-N 0 3 315.442 2.048 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3cc(C)oc3C)C[C@]2(C)C1 ZINC001092103168 791932022 /nfs/dbraw/zinc/93/20/22/791932022.db2.gz HLJDIKILUMDLBX-GMBSWORKSA-N 0 3 314.429 2.413 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)C[C@]2(C)C1 ZINC001092172492 791936487 /nfs/dbraw/zinc/93/64/87/791936487.db2.gz MQRRNVMPURUNFZ-RYRKJORJSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@]2(C)C1 ZINC001092225561 791950568 /nfs/dbraw/zinc/95/05/68/791950568.db2.gz DFEWCGKIMOVSAK-APWZRJJASA-N 0 3 312.413 2.112 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001098885615 791974122 /nfs/dbraw/zinc/97/41/22/791974122.db2.gz FXAYKMDGASZXPU-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cnc(C(C)C)s3)C[C@]2(C)C1 ZINC001092333050 791992112 /nfs/dbraw/zinc/99/21/12/791992112.db2.gz SGQSIUQNZCLSES-DYVFJYSZSA-N 0 3 317.458 2.294 20 30 DEEDHN CC(C)COCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098981403 792015426 /nfs/dbraw/zinc/01/54/26/792015426.db2.gz BZKSHZLDWQNIGB-JKSUJKDBSA-N 0 3 323.481 2.425 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001098996814 792025350 /nfs/dbraw/zinc/02/53/50/792025350.db2.gz HRVICKMMIQXVIR-YCPHGPKFSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ocnc2C(F)F)C1 ZINC001099030609 792047644 /nfs/dbraw/zinc/04/76/44/792047644.db2.gz SWROLLXXIGEEEY-ZBEGNZNMSA-N 0 3 323.343 2.220 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)NC(=O)CC ZINC001099092264 792088639 /nfs/dbraw/zinc/08/86/39/792088639.db2.gz ANBZLDYCUIPTRA-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ccn(C)n1 ZINC001099098657 792091540 /nfs/dbraw/zinc/09/15/40/792091540.db2.gz UBOABIMGZGEJEZ-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c3ccccc3nn2C)C1 ZINC001099105623 792098153 /nfs/dbraw/zinc/09/81/53/792098153.db2.gz PKHKUHKAILZQGE-LIRRHRJNSA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001099263729 792155154 /nfs/dbraw/zinc/15/51/54/792155154.db2.gz IWCCIUVWNNTTJX-GOEBONIOSA-N 0 3 318.465 2.381 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC=C ZINC001099364627 792183726 /nfs/dbraw/zinc/18/37/26/792183726.db2.gz OJLXQEDRKRSDKH-CVEARBPZSA-N 0 3 306.450 2.208 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc3ccncc32)[C@H](C)C1 ZINC001093097908 792234213 /nfs/dbraw/zinc/23/42/13/792234213.db2.gz MGEAKNQVLYSISE-GDBMZVCRSA-N 0 3 307.397 2.166 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C[C@@H]1O ZINC001099726673 792328784 /nfs/dbraw/zinc/32/87/84/792328784.db2.gz IWGORQWJJYKQHC-MSOLQXFVSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C[C@H]1O ZINC001099729081 792332128 /nfs/dbraw/zinc/33/21/28/792332128.db2.gz BEZWVCBQRGADAS-ZWKOTPCHSA-N 0 3 316.445 2.321 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001100152084 792488636 /nfs/dbraw/zinc/48/86/36/792488636.db2.gz ZJTJUSWHVGOTHM-ZWKOTPCHSA-N 0 3 314.429 2.259 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001100235616 792535088 /nfs/dbraw/zinc/53/50/88/792535088.db2.gz OLSSXQUDSWLOPR-JXQTWKCFSA-N 0 3 300.830 2.183 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)c1cc[nH]c1 ZINC001100353893 792606597 /nfs/dbraw/zinc/60/65/97/792606597.db2.gz WVCMDLAJLONORL-UHFFFAOYSA-N 0 3 307.397 2.164 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100597082 792742991 /nfs/dbraw/zinc/74/29/91/792742991.db2.gz PEIFQRDSCOFAQO-FHERZECASA-N 0 3 316.449 2.372 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100645075 792765540 /nfs/dbraw/zinc/76/55/40/792765540.db2.gz SNWPLPQPCWYKCR-JTTJXQCZSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100645074 792765909 /nfs/dbraw/zinc/76/59/09/792765909.db2.gz SNWPLPQPCWYKCR-JMLCCBQJSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3onc(C)c3C)CCC[C@@H]12 ZINC001094443194 792925511 /nfs/dbraw/zinc/92/55/11/792925511.db2.gz VIDXVGIXNGTUAK-CRAIPNDOSA-N 0 3 315.417 2.289 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001101063496 792997347 /nfs/dbraw/zinc/99/73/47/792997347.db2.gz FXPHRLSLVGOSSP-WLYUNCDWSA-N 0 3 324.856 2.298 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CN(C)c2ccccc2)C1 ZINC001101066844 792998464 /nfs/dbraw/zinc/99/84/64/792998464.db2.gz MUFWXEYMGCPRRT-UHFFFAOYSA-N 0 3 321.852 2.360 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)C2CCOCC2)C1 ZINC001101084373 793009282 /nfs/dbraw/zinc/00/92/82/793009282.db2.gz RBEQRUQZLDVSBO-DNOWBOINSA-N 0 3 314.857 2.286 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101379146 793139380 /nfs/dbraw/zinc/13/93/80/793139380.db2.gz XWCJKPYFRFYJLM-APWZRJJASA-N 0 3 318.461 2.019 20 30 DEEDHN CC[C@H](C)CCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101403734 793145265 /nfs/dbraw/zinc/14/52/65/793145265.db2.gz RWKCQOCBIWKQHR-SCTDSRPQSA-N 0 3 320.477 2.243 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)OCCC(C)C)C[C@]2(C)C1 ZINC001101484923 793180225 /nfs/dbraw/zinc/18/02/25/793180225.db2.gz NAPGCRRACSVAAW-SCTDSRPQSA-N 0 3 320.477 2.241 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@H](NC(=O)C(F)F)c1nccn12 ZINC001101599816 793263342 /nfs/dbraw/zinc/26/33/42/793263342.db2.gz XHHUJTUFFXQIDM-RYUDHWBXSA-N 0 3 324.375 2.075 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC2(CN(CC3CCC3)C2)n2ccnc21 ZINC001101615180 793273121 /nfs/dbraw/zinc/27/31/21/793273121.db2.gz BTEZAKIENSBJNG-OAHLLOKOSA-N 0 3 314.433 2.221 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@H](C)C(C)C)[C@H](C)C1 ZINC001101808146 793388309 /nfs/dbraw/zinc/38/83/09/793388309.db2.gz UWNLHPYHQXAEST-GVDBMIGSSA-N 0 3 308.466 2.003 20 30 DEEDHN C[C@H](CCCC#N)N1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001172510263 793441351 /nfs/dbraw/zinc/44/13/51/793441351.db2.gz YOQRIUFZAYDLBS-GDBMZVCRSA-N 0 3 300.406 2.358 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102005008 793475284 /nfs/dbraw/zinc/47/52/84/793475284.db2.gz OXTLTOMZEQHWHV-GDBMZVCRSA-N 0 3 318.465 2.207 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CN(Cc2cc(C)no2)C[C@H]1C ZINC001102253045 793547104 /nfs/dbraw/zinc/54/71/04/793547104.db2.gz ZLLZRLUIRITMBI-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN COC[C@@H]1CCCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981136 793550010 /nfs/dbraw/zinc/55/00/10/793550010.db2.gz SYGTTZBCYBYYKJ-KKUMJFAQSA-N 0 3 323.437 2.389 20 30 DEEDHN COC[C@H]1CCCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981135 793550028 /nfs/dbraw/zinc/55/00/28/793550028.db2.gz SYGTTZBCYBYYKJ-KFWWJZLASA-N 0 3 323.437 2.389 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H]1CCO[C@@H](C)C1 ZINC001173173442 793617344 /nfs/dbraw/zinc/61/73/44/793617344.db2.gz PRPZUAKOBJGYHO-LZWOXQAQSA-N 0 3 305.422 2.089 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3cc(C)ncn3)CC2)CC1 ZINC001173325748 793678357 /nfs/dbraw/zinc/67/83/57/793678357.db2.gz QQXFGYNATSPZGW-UHFFFAOYSA-N 0 3 316.449 2.421 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1C ZINC001102762624 793746035 /nfs/dbraw/zinc/74/60/35/793746035.db2.gz ITHMUVJUKTXLOH-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001102964456 793842867 /nfs/dbraw/zinc/84/28/67/793842867.db2.gz HXKMHLNAMQYSCX-UKRRQHHQSA-N 0 3 317.458 2.131 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc2c(c1)COC2 ZINC001174604278 794030787 /nfs/dbraw/zinc/03/07/87/794030787.db2.gz RYOLRVGMFXATSV-UHFFFAOYSA-N 0 3 308.809 2.108 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2oc1=O ZINC001175125557 794144332 /nfs/dbraw/zinc/14/43/32/794144332.db2.gz KWXDPPOIDJQWTP-UHFFFAOYSA-N 0 3 320.776 2.255 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@]2(C)CCOC2)C1 ZINC001103576171 794151124 /nfs/dbraw/zinc/15/11/24/794151124.db2.gz SEHLKIVWDYINOX-XNRPHZJLSA-N 0 3 314.857 2.240 20 30 DEEDHN CCN1CCN(c2ccc(Nc3nnccc3C#N)cc2)CC1 ZINC001175782146 794286797 /nfs/dbraw/zinc/28/67/97/794286797.db2.gz NSTWOONDLIAQKP-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC001175829440 794290766 /nfs/dbraw/zinc/29/07/66/794290766.db2.gz HFAXGIAYCZIIOI-DOMZBBRYSA-N 0 3 324.808 2.063 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104004998 794342499 /nfs/dbraw/zinc/34/24/99/794342499.db2.gz QJSNPNOYNNALHO-IIDMSEBBSA-N 0 3 324.428 2.292 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C ZINC001104075085 794369977 /nfs/dbraw/zinc/36/99/77/794369977.db2.gz UZCMSHRDHQAFSH-YUELXQCFSA-N 0 3 314.857 2.382 20 30 DEEDHN C[NH+](C)CCn1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001176443625 794422558 /nfs/dbraw/zinc/42/25/58/794422558.db2.gz FPXJGHIKOMXYDR-UHFFFAOYSA-N 0 3 302.382 2.345 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001176643637 794466133 /nfs/dbraw/zinc/46/61/33/794466133.db2.gz DZQOESDMCHKRGW-MRXNPFEDSA-N 0 3 322.836 2.455 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCCOC2)C1 ZINC001111920505 794527189 /nfs/dbraw/zinc/52/71/89/794527189.db2.gz VKQYTAVOIVNCDP-LNLFQRSKSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001111960154 794535103 /nfs/dbraw/zinc/53/51/03/794535103.db2.gz SFEAQJTTYYENAH-BQFCYCMXSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1C(F)(F)F ZINC001112120215 794561689 /nfs/dbraw/zinc/56/16/89/794561689.db2.gz IYPCEMMRHAEURX-HBNTYKKESA-N 0 3 324.293 2.034 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1C(F)(F)F ZINC001112158834 794566642 /nfs/dbraw/zinc/56/66/42/794566642.db2.gz AIIIUFNTUBIMPN-NXEZZACHSA-N 0 3 312.282 2.034 20 30 DEEDHN C=CCN(CC=C)[C@H](CNCc1nnn(C(C)(C)C)n1)C(C)C ZINC001177222801 794610898 /nfs/dbraw/zinc/61/08/98/794610898.db2.gz PZAYDDINIREHTB-OAHLLOKOSA-N 0 3 320.485 2.216 20 30 DEEDHN CCCCCCCC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115273550 794718792 /nfs/dbraw/zinc/71/87/92/794718792.db2.gz NZGCIKRJPJJXQI-NCOADZHNSA-N 0 3 310.482 2.412 20 30 DEEDHN O=C(C#Cc1cccnc1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001177780357 794750431 /nfs/dbraw/zinc/75/04/31/794750431.db2.gz SHDDUQGCCPVZRC-IBGZPJMESA-N 0 3 319.408 2.214 20 30 DEEDHN N#CCOc1cccc(CNCc2ccnn2-c2ccncc2)c1 ZINC001177839739 794762868 /nfs/dbraw/zinc/76/28/68/794762868.db2.gz DRNRPCFIGMYMDL-UHFFFAOYSA-N 0 3 319.368 2.459 20 30 DEEDHN Cc1nc2c([nH]1)CCN(C(=O)C(C#N)Cc1cccs1)CC2 ZINC001177909153 794773582 /nfs/dbraw/zinc/77/35/82/794773582.db2.gz RBBYPMNZZPTTKF-GFCCVEGCSA-N 0 3 314.414 2.089 20 30 DEEDHN Cc1cccnc1CNC1(CNC(=O)[C@H](C)C#N)CCCCC1 ZINC001115452158 794777556 /nfs/dbraw/zinc/77/75/56/794777556.db2.gz RXGFAFZDXLNTMV-OAHLLOKOSA-N 0 3 314.433 2.458 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2ccns2)[C@@H]1C ZINC001178279302 794881752 /nfs/dbraw/zinc/88/17/52/794881752.db2.gz VFYZOMHEKTVTJO-YDHLFZDLSA-N 0 3 323.462 2.203 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](NCc2ccccn2)[C@@H]1C ZINC001178278876 794882264 /nfs/dbraw/zinc/88/22/64/794882264.db2.gz OTIYEAKWVCRXOR-UXLLHSPISA-N 0 3 317.433 2.142 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2c(C)nsc2C)[C@@H]1C ZINC001178338554 794891378 /nfs/dbraw/zinc/89/13/78/794891378.db2.gz BZAJOBBOAJBKOC-WFASDCNBSA-N 0 3 323.462 2.042 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(CC)CC)[C@@H]1C ZINC001178316067 794898427 /nfs/dbraw/zinc/89/84/27/794898427.db2.gz ULOUVFIDHBUTPF-DZKIICNBSA-N 0 3 323.481 2.225 20 30 DEEDHN CCN(CC)CC(=O)N(C)C[C@H](C)Nc1cccc(F)c1C#N ZINC001115741770 794903090 /nfs/dbraw/zinc/90/30/90/794903090.db2.gz ZDGOIMAHJMXXRH-ZDUSSCGKSA-N 0 3 320.412 2.298 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCC(=O)N[C@H](C)C(C)C)[C@@H]1C ZINC001178806342 795000254 /nfs/dbraw/zinc/00/02/54/795000254.db2.gz WZUXTZHPCRNSDS-PMPSAXMXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)[C@@H]1C ZINC001178805389 795000513 /nfs/dbraw/zinc/00/05/13/795000513.db2.gz DOMWZVRPHGJVTK-ILXRZTDVSA-N 0 3 323.481 2.225 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179306918 795089881 /nfs/dbraw/zinc/08/98/81/795089881.db2.gz NABGEUVDZUBVML-GJZGRUSLSA-N 0 3 321.469 2.040 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccns2)[C@@H]1C ZINC001179359617 795105789 /nfs/dbraw/zinc/10/57/89/795105789.db2.gz AKWNHJXGOYWBQE-ZFWWWQNUSA-N 0 3 305.447 2.416 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C[C@@H](c2ccc(CC)cc2)N(C)C)C1=O ZINC001119626056 795331669 /nfs/dbraw/zinc/33/16/69/795331669.db2.gz ZVSBCXPGFINIJY-HOTGVXAUSA-N 0 3 315.417 2.348 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC)C1 ZINC001181038778 795408087 /nfs/dbraw/zinc/40/80/87/795408087.db2.gz FABGVXVCOXAUOE-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1c(F)cc(OC)cc1F ZINC001181126813 795426774 /nfs/dbraw/zinc/42/67/74/795426774.db2.gz BPBNFDMGYZSPKD-LBPRGKRZSA-N 0 3 324.371 2.283 20 30 DEEDHN N#Cc1cc(CC(=O)NCCc2cnc3cc[nH]cc2-3)ccc1F ZINC001181194852 795436949 /nfs/dbraw/zinc/43/69/49/795436949.db2.gz RFXVCBNVYIBHPL-UHFFFAOYSA-N 0 3 322.343 2.475 20 30 DEEDHN N#Cc1cc(CC(=O)NCCc2c[nH]c3ccncc23)ccc1F ZINC001181194852 795436952 /nfs/dbraw/zinc/43/69/52/795436952.db2.gz RFXVCBNVYIBHPL-UHFFFAOYSA-N 0 3 322.343 2.475 20 30 DEEDHN CN(C)c1ccnc(CNCCC(=O)Nc2cccc(C#N)c2)c1 ZINC001120380110 795449564 /nfs/dbraw/zinc/44/95/64/795449564.db2.gz CRXXJMPHTUOGTD-UHFFFAOYSA-N 0 3 323.400 2.138 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccccc2N(C)C)C1 ZINC001181511897 795482625 /nfs/dbraw/zinc/48/26/25/795482625.db2.gz UCFIPEXOKTZLBZ-MRXNPFEDSA-N 0 3 301.434 2.409 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(=O)C(C)(C)C)C2 ZINC001120864013 795546096 /nfs/dbraw/zinc/54/60/96/795546096.db2.gz FLQABMPWYAQZMH-UHFFFAOYSA-N 0 3 312.841 2.371 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001182215538 795627825 /nfs/dbraw/zinc/62/78/25/795627825.db2.gz WBWFJFTZXSIOBK-CRAIPNDOSA-N 0 3 320.408 2.152 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001122130711 795728998 /nfs/dbraw/zinc/72/89/98/795728998.db2.gz NXNGBMYNEKPRQJ-IAGOWNOFSA-N 0 3 312.417 2.424 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@](C)(C(=O)OCC)c1ccccc1 ZINC001122136683 795729764 /nfs/dbraw/zinc/72/97/64/795729764.db2.gz BXDQQAQOELOJCZ-CRAIPNDOSA-N 0 3 318.417 2.265 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cccc2oc(C)nc21 ZINC001122272677 795742109 /nfs/dbraw/zinc/74/21/09/795742109.db2.gz PNROEMKHAPZOCY-CQSZACIVSA-N 0 3 301.390 2.479 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCC(=O)N(CCC)CCC)C1 ZINC001182932047 795785878 /nfs/dbraw/zinc/78/58/78/795785878.db2.gz CQRYWHNLPSMPSI-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3cncc(C)c3)C2)CCC1 ZINC001183185734 795818365 /nfs/dbraw/zinc/81/83/65/795818365.db2.gz SFEHKWTXTNYRRT-QGZVFWFLSA-N 0 3 311.429 2.274 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCCO2)CC1 ZINC001123505116 795923582 /nfs/dbraw/zinc/92/35/82/795923582.db2.gz YAPRSQSEAQPQDP-IAGOWNOFSA-N 0 3 321.465 2.380 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC001183903238 795955173 /nfs/dbraw/zinc/95/51/73/795955173.db2.gz RBNXQXMWXOWZOV-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2cc(C)no2)[C@@H](C)C1 ZINC001184297184 796028700 /nfs/dbraw/zinc/02/87/00/796028700.db2.gz DWQUYMSBLIKRIF-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN Cc1cc(CNC[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]2C)on1 ZINC001184355937 796039237 /nfs/dbraw/zinc/03/92/37/796039237.db2.gz FCAGRHQMAMKZBU-GOEBONIOSA-N 0 3 317.433 2.217 20 30 DEEDHN Cc1cc(CNC[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)on1 ZINC001184355939 796039282 /nfs/dbraw/zinc/03/92/82/796039282.db2.gz FCAGRHQMAMKZBU-ZBFHGGJFSA-N 0 3 317.433 2.217 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001184320981 796041277 /nfs/dbraw/zinc/04/12/77/796041277.db2.gz LKIDIHYXHGDIKJ-OAHLLOKOSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCCC(=O)NCCNCC(=O)NCCCC1CCCCC1 ZINC001124636028 796078444 /nfs/dbraw/zinc/07/84/44/796078444.db2.gz FGYHMHNGQBNRHN-UHFFFAOYSA-N 0 3 323.481 2.135 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001185256538 796223744 /nfs/dbraw/zinc/22/37/44/796223744.db2.gz IKWVLMZTVPOIQB-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1cccnc1CN[C@@H]1C[C@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202888770 796315089 /nfs/dbraw/zinc/31/50/89/796315089.db2.gz UCLOOYIMLUYPMV-MSOLQXFVSA-N 0 3 323.440 2.320 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001185889896 796330048 /nfs/dbraw/zinc/33/00/48/796330048.db2.gz PZXHQOKBWJINGX-CYBMUJFWSA-N 0 3 308.784 2.235 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001186041483 796355307 /nfs/dbraw/zinc/35/53/07/796355307.db2.gz ORJSWXOTUZAIHX-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001186259393 796381474 /nfs/dbraw/zinc/38/14/74/796381474.db2.gz KSVGLDYYXYYKAA-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CC(C)(C)CO1 ZINC001110379066 796388748 /nfs/dbraw/zinc/38/87/48/796388748.db2.gz UJZCIKJGTHVCCN-FPCVCCKLSA-N 0 3 306.450 2.489 20 30 DEEDHN CCCCCC[C@H](C)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001186486513 796408235 /nfs/dbraw/zinc/40/82/35/796408235.db2.gz ARFJUOQZPFATGJ-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN N#Cc1cccc2c(CN3CCC[C@]4(CCNC4=O)C3)c[nH]c21 ZINC001139702624 796413583 /nfs/dbraw/zinc/41/35/83/796413583.db2.gz DYGHEYAXBACCTQ-SFHVURJKSA-N 0 3 308.385 2.142 20 30 DEEDHN COCCCN1CCN(Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139703015 796413629 /nfs/dbraw/zinc/41/36/29/796413629.db2.gz GPCYLCOBPAJHQM-UHFFFAOYSA-N 0 3 312.417 2.194 20 30 DEEDHN N#Cc1cccc2c(CN3CC[C@@H](Oc4cnccn4)C3)c[nH]c21 ZINC001139706861 796413825 /nfs/dbraw/zinc/41/38/25/796413825.db2.gz ALOAQQKELDMKNU-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN N#Cc1cccc2c(CN3CCC4(C[C@H](O)CO4)CC3)c[nH]c21 ZINC001139704486 796413928 /nfs/dbraw/zinc/41/39/28/796413928.db2.gz WIEYGGNOLIYUKK-HNNXBMFYSA-N 0 3 311.385 2.155 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc3nc(C)sc3c2)C1 ZINC001186783253 796442502 /nfs/dbraw/zinc/44/25/02/796442502.db2.gz MEGHJUUGUXQGTP-CQSZACIVSA-N 0 3 313.426 2.432 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001186975486 796468710 /nfs/dbraw/zinc/46/87/10/796468710.db2.gz PXCFPNSUKHDPQD-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001187077010 796485208 /nfs/dbraw/zinc/48/52/08/796485208.db2.gz JUDYJJRYBHVWIU-HUUCEWRRSA-N 0 3 320.458 2.000 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccncn1)[C@@H]2CC ZINC001140343263 796510320 /nfs/dbraw/zinc/51/03/20/796510320.db2.gz BVTBKYVKXKUKLC-AEFFLSMTSA-N 0 3 314.433 2.398 20 30 DEEDHN CN1c2ccccc2[C@@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001140543402 796537111 /nfs/dbraw/zinc/53/71/11/796537111.db2.gz NNFRBUBQDLUGMX-IBGZPJMESA-N 0 3 318.380 2.073 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NC/C=C/Cl)C2)CCOCC1 ZINC001187491857 796543539 /nfs/dbraw/zinc/54/35/39/796543539.db2.gz VCPSACFCROYPGC-SMDADKPZSA-N 0 3 312.841 2.302 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(CO)o1)C2 ZINC001140680224 796555487 /nfs/dbraw/zinc/55/54/87/796555487.db2.gz TWWWGPCWUMYURN-MSOLQXFVSA-N 0 3 321.417 2.346 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001187683693 796561630 /nfs/dbraw/zinc/56/16/30/796561630.db2.gz XZTHUQQMHRXOSP-GXTWGEPZSA-N 0 3 324.808 2.282 20 30 DEEDHN C=CCCCN1C[C@@H]2CCN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001187951873 796607631 /nfs/dbraw/zinc/60/76/31/796607631.db2.gz PVOHQJMPDYIZME-QWHCGFSZSA-N 0 3 321.446 2.264 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001187961088 796608115 /nfs/dbraw/zinc/60/81/15/796608115.db2.gz PCDAHESGWCVYPJ-TZMCWYRMSA-N 0 3 306.356 2.282 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001188231302 796646611 /nfs/dbraw/zinc/64/66/11/796646611.db2.gz QFZJPDIRPCMHTQ-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(OC(F)F)c1 ZINC000838623980 796672073 /nfs/dbraw/zinc/67/20/73/796672073.db2.gz AFCSFDHBFFMDFL-UHFFFAOYSA-N 0 3 311.332 2.365 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2sccc2C)C1 ZINC001188651320 796695895 /nfs/dbraw/zinc/69/58/95/796695895.db2.gz GTGAPLJQGGVWFZ-AWEZNQCLSA-N 0 3 308.447 2.405 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001188651907 796696738 /nfs/dbraw/zinc/69/67/38/796696738.db2.gz KOHIDWXQYCLWES-AWEZNQCLSA-N 0 3 306.381 2.175 20 30 DEEDHN CSCCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001188792374 796721321 /nfs/dbraw/zinc/72/13/21/796721321.db2.gz GFSQAOBNBYKGRH-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001188847385 796732905 /nfs/dbraw/zinc/73/29/05/796732905.db2.gz UWSAATNUMODIGL-ARFHVFGLSA-N 0 3 306.450 2.158 20 30 DEEDHN CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189003467 796753580 /nfs/dbraw/zinc/75/35/80/796753580.db2.gz LRVHISOPZACYLG-PBHICJAKSA-N 0 3 315.417 2.016 20 30 DEEDHN N#Cc1ccc2c(CN3CCC[C@H](n4ccnn4)C3)c[nH]c2c1 ZINC001142925793 796786399 /nfs/dbraw/zinc/78/63/99/796786399.db2.gz DLQNIYSEBCMECF-HNNXBMFYSA-N 0 3 306.373 2.468 20 30 DEEDHN N#Cc1ccc2c(CN3CC[C@H](Oc4cnccn4)C3)c[nH]c2c1 ZINC001142931992 796786432 /nfs/dbraw/zinc/78/64/32/796786432.db2.gz VRDYOIASAHXGCT-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001189369935 796812205 /nfs/dbraw/zinc/81/22/05/796812205.db2.gz GOSOLLKRUCJXMS-HKMNZKMDSA-N 0 3 314.429 2.435 20 30 DEEDHN CC(C)=CCN1CCCO[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001149686390 796886021 /nfs/dbraw/zinc/88/60/21/796886021.db2.gz DIRGZJQXCNWZOL-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001149921643 796906244 /nfs/dbraw/zinc/90/62/44/796906244.db2.gz RINDKSIPLCADBD-WBVHZDCISA-N 0 3 312.429 2.135 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccc(C)cc2)C1 ZINC001149954584 796908408 /nfs/dbraw/zinc/90/84/08/796908408.db2.gz QWRONEKOFIFDNG-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](N(C)CCOc2ccccc2)C1 ZINC001190067988 796921804 /nfs/dbraw/zinc/92/18/04/796921804.db2.gz WMZDJHHTMFOTDC-KRWDZBQOSA-N 0 3 314.429 2.258 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001150212997 796928929 /nfs/dbraw/zinc/92/89/29/796928929.db2.gz VFCJGIDBFSJFMX-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN CCCCOCCN(C)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084974 796936003 /nfs/dbraw/zinc/93/60/03/796936003.db2.gz UYBWBDHIEAFTKK-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001150394884 796940566 /nfs/dbraw/zinc/94/05/66/796940566.db2.gz NKXMCKYDRRSZOR-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H](C)n2cccc2)C1 ZINC001150612460 796959982 /nfs/dbraw/zinc/95/99/82/796959982.db2.gz AIHGWDBNJQZUMJ-IRXDYDNUSA-N 0 3 319.449 2.222 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001190270345 796972724 /nfs/dbraw/zinc/97/27/24/796972724.db2.gz PSGQAZLFHSWVDX-XMTFNYHQSA-N 0 3 318.461 2.324 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ocnc2CC)CC1 ZINC001151319497 797032923 /nfs/dbraw/zinc/03/29/23/797032923.db2.gz JCULJPFSQWEKLW-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)C[C@@H]3CCCCO3)C2)CCC1 ZINC001190605729 797039879 /nfs/dbraw/zinc/03/98/79/797039879.db2.gz ZHRFMBOUSFLFIE-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2conc2C(C)C)C1 ZINC001190634436 797046398 /nfs/dbraw/zinc/04/63/98/797046398.db2.gz GKOIUULLNGMUJN-CQSZACIVSA-N 0 3 321.421 2.147 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001191033864 797126929 /nfs/dbraw/zinc/12/69/29/797126929.db2.gz PJXCZHZAKXTGIT-IAGOWNOFSA-N 0 3 319.449 2.135 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001191053951 797129799 /nfs/dbraw/zinc/12/97/99/797129799.db2.gz LIDLECNAMSZOGY-IAGOWNOFSA-N 0 3 319.449 2.135 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)COC2CCCCC2)C1 ZINC001191080288 797134273 /nfs/dbraw/zinc/13/42/73/797134273.db2.gz FZNDTAXFUYTJHH-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)COC(C)C ZINC001152297322 797169312 /nfs/dbraw/zinc/16/93/12/797169312.db2.gz IYMDGICWGOLGMI-OAHLLOKOSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001191491219 797208453 /nfs/dbraw/zinc/20/84/53/797208453.db2.gz WLSARPGPMQSZAI-KYHPRHEASA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC001191989306 797295228 /nfs/dbraw/zinc/29/52/28/797295228.db2.gz SOSDYSPHDZFFSW-OAHLLOKOSA-N 0 3 317.433 2.241 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)noc1CCC ZINC001153313469 797319813 /nfs/dbraw/zinc/31/98/13/797319813.db2.gz SBAIKJBKLMGKIY-CYBMUJFWSA-N 0 3 305.422 2.399 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)CCOCC(F)F)C2)C1 ZINC001192256681 797344987 /nfs/dbraw/zinc/34/49/87/797344987.db2.gz JBQNUZQUHWDBTK-CYBMUJFWSA-N 0 3 316.392 2.157 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001153521539 797348776 /nfs/dbraw/zinc/34/87/76/797348776.db2.gz GNYUCDFXMHBFOE-OAHLLOKOSA-N 0 3 302.418 2.385 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C)CCCC1 ZINC001153809566 797400020 /nfs/dbraw/zinc/40/00/20/797400020.db2.gz RLTSZHRSCVZDSQ-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)N(CC)CC)CCCC1 ZINC001153809159 797400530 /nfs/dbraw/zinc/40/05/30/797400530.db2.gz CXKVCPRCYIJUOC-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC[C@@H](C(=O)NCCNCC#CCOC)c1ccccc1 ZINC001153816763 797402316 /nfs/dbraw/zinc/40/23/16/797402316.db2.gz HZJJSEKAGKMLAA-GOSISDBHSA-N 0 3 314.429 2.092 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc3n(c2)CCCC3)c1 ZINC001153924469 797424214 /nfs/dbraw/zinc/42/42/14/797424214.db2.gz RDQRVDOSBJWXEM-UHFFFAOYSA-N 0 3 322.412 2.216 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1onc2c1CCCC2 ZINC001154309071 797508846 /nfs/dbraw/zinc/50/88/46/797508846.db2.gz OKGPRESYFAGCBT-CYBMUJFWSA-N 0 3 303.406 2.017 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCCCC)C[C@H]2O)CCC1 ZINC001193710440 797617007 /nfs/dbraw/zinc/61/70/07/797617007.db2.gz BOKVSIOEZHLNLQ-IAGOWNOFSA-N 0 3 320.477 2.312 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001194064197 797672438 /nfs/dbraw/zinc/67/24/38/797672438.db2.gz VCXGTFCBDGLZAK-BRWVUGGUSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)OCC(C)(C)C)CC1 ZINC001194378029 797711839 /nfs/dbraw/zinc/71/18/39/797711839.db2.gz GYGAEAXGXKTKAL-UHFFFAOYSA-N 0 3 323.481 2.461 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1ncnc2[nH]cc(C#N)c21 ZINC001155248152 797717514 /nfs/dbraw/zinc/71/75/14/797717514.db2.gz PZXDQPUCPULHCM-SECBINFHSA-N 0 3 303.329 2.188 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1noc2c1CCCCC2 ZINC001155546359 797785998 /nfs/dbraw/zinc/78/59/98/797785998.db2.gz ARHDVIFIZYPWKJ-CQSZACIVSA-N 0 3 317.433 2.407 20 30 DEEDHN CCc1nc(C#N)c(C#N)nc1N[C@@H]1CNCc2ccsc21 ZINC001155572039 797793335 /nfs/dbraw/zinc/79/33/35/797793335.db2.gz WJIFCBSMDKQCHL-CYBMUJFWSA-N 0 3 310.386 2.100 20 30 DEEDHN C=CCCC(=O)NCCCN[C@@H](C)C(=O)Nc1ccccc1F ZINC001155594110 797798472 /nfs/dbraw/zinc/79/84/72/797798472.db2.gz ZSYKFYPAENAJSC-ZDUSSCGKSA-N 0 3 321.396 2.215 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1csc(C)n1 ZINC001155631382 797810717 /nfs/dbraw/zinc/81/07/17/797810717.db2.gz PKIBJMUNSNKSML-CYBMUJFWSA-N 0 3 307.463 2.234 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Br)co1 ZINC001155644735 797815044 /nfs/dbraw/zinc/81/50/44/797815044.db2.gz KVDXKFRXGIBBJF-SNVBAGLBSA-N 0 3 313.195 2.116 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001155718112 797833653 /nfs/dbraw/zinc/83/36/53/797833653.db2.gz DVNJYPDRYOZXBD-VNQPRFMTSA-N 0 3 302.393 2.389 20 30 DEEDHN C=CCOCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001155732293 797836713 /nfs/dbraw/zinc/83/67/13/797836713.db2.gz ZMSDWMPRIJPGAN-GFCCVEGCSA-N 0 3 312.360 2.324 20 30 DEEDHN C=CCOCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001155731912 797836819 /nfs/dbraw/zinc/83/68/19/797836819.db2.gz MGNHDSMKMKSXNJ-GFCCVEGCSA-N 0 3 312.360 2.324 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCCC2CC2)C1 ZINC001195509643 797907813 /nfs/dbraw/zinc/90/78/13/797907813.db2.gz DNNOLMJLCNSHEN-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN Cc1cncc(C(=O)NCCCNCc2ccccc2C#N)c1 ZINC001156111659 797926534 /nfs/dbraw/zinc/92/65/34/797926534.db2.gz OVUTULCGOFFFMM-UHFFFAOYSA-N 0 3 308.385 2.171 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001156125829 797929941 /nfs/dbraw/zinc/92/99/41/797929941.db2.gz NNCDLZUGNDEAML-UONOGXRCSA-N 0 3 317.433 2.263 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001195567165 797930304 /nfs/dbraw/zinc/93/03/04/797930304.db2.gz KOAGKQMIWNIWPW-BRWVUGGUSA-N 0 3 308.466 2.496 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CN(CCCc2ccsc2)C[C@H]1C ZINC001206659888 797932814 /nfs/dbraw/zinc/93/28/14/797932814.db2.gz SUZNFDSQAOMTKS-UMVBOHGHSA-N 0 3 305.447 2.277 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCc1oc(CC)nc1C ZINC001156160810 797935790 /nfs/dbraw/zinc/93/57/90/797935790.db2.gz ZMNAXLNLNIFJHQ-UHFFFAOYSA-N 0 3 323.437 2.124 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(C2CCCC2)c1C ZINC001156283278 797966115 /nfs/dbraw/zinc/96/61/15/797966115.db2.gz PGAMSNXQDIRVNK-CQSZACIVSA-N 0 3 316.449 2.380 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCCNCc2cc(F)ccc2F)c1 ZINC001156296293 797968659 /nfs/dbraw/zinc/96/86/59/797968659.db2.gz LHPNGZUSWAPFER-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001195833470 797973137 /nfs/dbraw/zinc/97/31/37/797973137.db2.gz CBBWPFAVZWGXON-ZIAGYGMSSA-N 0 3 324.371 2.014 20 30 DEEDHN Cc1ncc(C#N)c(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC001156531602 798023212 /nfs/dbraw/zinc/02/32/12/798023212.db2.gz OXGAWKOWEAWOCV-KRWDZBQOSA-N 0 3 307.401 2.328 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001156601848 798039698 /nfs/dbraw/zinc/03/96/98/798039698.db2.gz HIDWSBKUIAXOQR-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001156669456 798057393 /nfs/dbraw/zinc/05/73/93/798057393.db2.gz KQNNMIKICWPKLH-MLGOLLRUSA-N 0 3 304.821 2.440 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](O)c1ccc(Cl)cc1 ZINC001156672236 798059022 /nfs/dbraw/zinc/05/90/22/798059022.db2.gz KCNYHEKNUFXDFO-OAHLLOKOSA-N 0 3 310.825 2.340 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](OC)c1ccc(F)cc1 ZINC001156672741 798059581 /nfs/dbraw/zinc/05/95/81/798059581.db2.gz WSIVEJLUNKGGQT-MRXNPFEDSA-N 0 3 308.397 2.480 20 30 DEEDHN CC[C@H](C)OCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156711883 798067801 /nfs/dbraw/zinc/06/78/01/798067801.db2.gz YRDVPDIVHBOLSC-ZDUSSCGKSA-N 0 3 321.396 2.108 20 30 DEEDHN N#Cc1cc(C(=O)NCCCNCc2cc(F)ccc2F)c[nH]1 ZINC001156841192 798092892 /nfs/dbraw/zinc/09/28/92/798092892.db2.gz AYGCVFVQNXOKKH-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001197025855 798140356 /nfs/dbraw/zinc/14/03/56/798140356.db2.gz ULMVTSMKVVCPDV-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1csc(C2CC2)n1 ZINC001157307510 798180729 /nfs/dbraw/zinc/18/07/29/798180729.db2.gz GPZQTDCJJBTYEB-GFCCVEGCSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001157427789 798204165 /nfs/dbraw/zinc/20/41/65/798204165.db2.gz IRWXBONQOCGQRN-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1c(F)cccc1Cl ZINC001157682796 798256903 /nfs/dbraw/zinc/25/69/03/798256903.db2.gz QFFCDHZMZOSAAB-UHFFFAOYSA-N 0 3 308.784 2.488 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2csc(COC)n2)CC1 ZINC001198358430 798327791 /nfs/dbraw/zinc/32/77/91/798327791.db2.gz NFEUTHSOSGTBBK-UHFFFAOYSA-N 0 3 323.462 2.404 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cnccc1C ZINC001158077299 798338333 /nfs/dbraw/zinc/33/83/33/798338333.db2.gz MFGLDSVBPQZLLB-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCC[C@@H](C)N[C@H](CNC(=O)COC)c1ccccc1OC ZINC001198443380 798341130 /nfs/dbraw/zinc/34/11/30/798341130.db2.gz IYLOOFZFTKDBBD-GDBMZVCRSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)c1cnn(C)c1 ZINC001158261909 798368880 /nfs/dbraw/zinc/36/88/80/798368880.db2.gz JVWGFYIIMKGRNL-DOTOQJQBSA-N 0 3 318.465 2.413 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001158323754 798384753 /nfs/dbraw/zinc/38/47/53/798384753.db2.gz HUEZNJZOOLNNAB-KBPBESRZSA-N 0 3 302.846 2.286 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001198879469 798412545 /nfs/dbraw/zinc/41/25/45/798412545.db2.gz FOBKTCTWOYHCCX-GARNVTTQSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001198962271 798420210 /nfs/dbraw/zinc/42/02/10/798420210.db2.gz FPNIDVSVUULLIK-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1nccnc1C ZINC001158755304 798463930 /nfs/dbraw/zinc/46/39/30/798463930.db2.gz SNMDUFQSOMWNSS-UHFFFAOYSA-N 0 3 302.422 2.149 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCc1cc(C)n(C)n1 ZINC001158857985 798479461 /nfs/dbraw/zinc/47/94/61/798479461.db2.gz ZJXQAHMLIPAITB-UHFFFAOYSA-N 0 3 312.845 2.103 20 30 DEEDHN C=CCOCCCC(=O)N1CCC(NCc2conc2C)CC1 ZINC001199988681 798568438 /nfs/dbraw/zinc/56/84/38/798568438.db2.gz WTHMTJMPPHXFIK-UHFFFAOYSA-N 0 3 321.421 2.046 20 30 DEEDHN C[C@H](Nc1cc(C#C[Si](C)(C)C)ccn1)[C@H]1CNCCO1 ZINC001159503217 798575009 /nfs/dbraw/zinc/57/50/09/798575009.db2.gz VAIDYENHMMTLDE-DZGCQCFKSA-N 0 3 303.482 2.099 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2ccccc2C#N)CCC1 ZINC001159638326 798591511 /nfs/dbraw/zinc/59/15/11/798591511.db2.gz OLCNPOJCVKBZQZ-UHFFFAOYSA-N 0 3 309.413 2.348 20 30 DEEDHN C=CCNC(=S)Nc1ccc(OC2CCN(C)CC2)cn1 ZINC001200283021 798606996 /nfs/dbraw/zinc/60/69/96/798606996.db2.gz YNGZCCFJMUGOJA-UHFFFAOYSA-N 0 3 306.435 2.027 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C[C@H]2CCCCO2)CC1 ZINC001159781238 798607596 /nfs/dbraw/zinc/60/75/96/798607596.db2.gz RQJWMYQWZZZBMB-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN C=C[C@H]1C[C@]1(Nc1cc(Cl)nc2c1CCNC2)C(=O)OCC ZINC001159805096 798612868 /nfs/dbraw/zinc/61/28/68/798612868.db2.gz HVKPEVJVXRZIPI-MGPLVRAMSA-N 0 3 321.808 2.300 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1=CCN(CC#CC)CC1 ZINC001160156389 798656148 /nfs/dbraw/zinc/65/61/48/798656148.db2.gz TZOCGYCOODTNGE-MSOLQXFVSA-N 0 3 316.445 2.129 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2(C)CCCCCC2)CCCO1 ZINC001200712416 798671132 /nfs/dbraw/zinc/67/11/32/798671132.db2.gz GXIACYDKHGSEAS-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnn2ccc(C)cc12 ZINC001160384805 798682577 /nfs/dbraw/zinc/68/25/77/798682577.db2.gz TYSPDQYFPREXNW-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001160492659 798695224 /nfs/dbraw/zinc/69/52/24/798695224.db2.gz XUUQKAYQMKZYTP-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCCO1 ZINC001201051306 798710446 /nfs/dbraw/zinc/71/04/46/798710446.db2.gz PECBCRJAGWTPKJ-XLAORIBOSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@@H](CNC/C=C\Cl)C1 ZINC001201139760 798715259 /nfs/dbraw/zinc/71/52/59/798715259.db2.gz YVBHQOLVERVNRX-VGVVRCBHSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C(F)F)n(C)n2)CC1 ZINC001160676859 798720717 /nfs/dbraw/zinc/72/07/17/798720717.db2.gz JGHMBACJOOTNKO-UHFFFAOYSA-N 0 3 324.375 2.296 20 30 DEEDHN N#CCCN(Cc1ccc(Cl)cc1)C(=O)C(N)C(F)(F)F ZINC001160737147 798733532 /nfs/dbraw/zinc/73/35/32/798733532.db2.gz BMZADONAQKTXEC-NSHDSACASA-N 0 3 319.714 2.472 20 30 DEEDHN CCCCN(CC)CCNS(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201325112 798740391 /nfs/dbraw/zinc/74/03/91/798740391.db2.gz VEHGFWFBLSBIII-UHFFFAOYSA-N 0 3 323.462 2.267 20 30 DEEDHN C=CCNC(=O)c1cccnc1NC[C@@H]1CCCN1CC=C ZINC001160957793 798770014 /nfs/dbraw/zinc/77/00/14/798770014.db2.gz UFCLLAHVSFIOOJ-AWEZNQCLSA-N 0 3 300.406 2.060 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cccc(Cl)c2)CCCO1 ZINC001201917620 798811157 /nfs/dbraw/zinc/81/11/57/798811157.db2.gz UDLRUMQVRWPYAM-INIZCTEOSA-N 0 3 320.820 2.184 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001161297965 798822857 /nfs/dbraw/zinc/82/28/57/798822857.db2.gz YVPPCJQGDRUIKN-UHFFFAOYSA-N 0 3 302.422 2.471 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202085186 798825852 /nfs/dbraw/zinc/82/58/52/798825852.db2.gz PUNZHCDYGVEBGC-HIFRSBDPSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC001161805725 798941455 /nfs/dbraw/zinc/94/14/55/798941455.db2.gz OWWYZNMZZYEPRT-UHFFFAOYSA-N 0 3 324.428 2.430 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1ccncc1)C2 ZINC001110714056 798986315 /nfs/dbraw/zinc/98/63/15/798986315.db2.gz ZKCYYNDWLATBJX-DDBAPUKQSA-N 0 3 311.429 2.320 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2C=CCC2)(COC)CC1 ZINC001162091573 799009528 /nfs/dbraw/zinc/00/95/28/799009528.db2.gz PMPNZLNBUUPZBA-QGZVFWFLSA-N 0 3 318.461 2.211 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2occc2C)(COC)CC1 ZINC001162105603 799012379 /nfs/dbraw/zinc/01/23/79/799012379.db2.gz JTRWIKKVOJTXRJ-UHFFFAOYSA-N 0 3 318.417 2.070 20 30 DEEDHN C=C(C)CN1CCC(CNC(=O)C(=O)C(C)(C)C)(COC)CC1 ZINC001162176173 799027871 /nfs/dbraw/zinc/02/78/71/799027871.db2.gz LDGGDUYYBDTIDE-UHFFFAOYSA-N 0 3 324.465 2.023 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)C(=C)C)(COC)CC1 ZINC001162393601 799076626 /nfs/dbraw/zinc/07/66/26/799076626.db2.gz XQOSKQRWTRAJLT-UHFFFAOYSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4cccnc4C)C[C@H]32)CCC1 ZINC001114397342 799079693 /nfs/dbraw/zinc/07/96/93/799079693.db2.gz LGYHROAJMZSZFP-PIIMJCKOSA-N 0 3 323.440 2.130 20 30 DEEDHN C=C(Br)CNCC1(CCNC(=O)C2CC2)CC1 ZINC001163092618 799243276 /nfs/dbraw/zinc/24/32/76/799243276.db2.gz OJGRCIXBNTWZRP-UHFFFAOYSA-N 0 3 301.228 2.181 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)C1(CCF)CC1 ZINC001163143463 799261052 /nfs/dbraw/zinc/26/10/52/799261052.db2.gz YIKMKVSAMPHSKP-UHFFFAOYSA-N 0 3 303.381 2.294 20 30 DEEDHN C=CCOCc1ncn2c1CN(CC1CCOCC1)CCC2 ZINC001202567089 799272165 /nfs/dbraw/zinc/27/21/65/799272165.db2.gz NKXDBBPXRADRPS-UHFFFAOYSA-N 0 3 305.422 2.218 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@@H]2CNCc3ccsc32)nc1 ZINC001163221145 799280676 /nfs/dbraw/zinc/28/06/76/799280676.db2.gz MOSNHPZXCNMDEG-CYBMUJFWSA-N 0 3 314.414 2.315 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H](NCc2cnc(C)o2)C12CCC2 ZINC001202616479 799288448 /nfs/dbraw/zinc/28/84/48/799288448.db2.gz HGMMBYDIRDGHES-LSDHHAIUSA-N 0 3 303.406 2.466 20 30 DEEDHN C#CCCC1(CCNc2cccc(N3CCN(C)CC3)n2)N=N1 ZINC001163379737 799328063 /nfs/dbraw/zinc/32/80/63/799328063.db2.gz CQSPAOCJLQNCHF-UHFFFAOYSA-N 0 3 312.421 2.211 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccccc1C(=O)OC ZINC001202689581 799360851 /nfs/dbraw/zinc/36/08/51/799360851.db2.gz MILBBHUWORFUHS-ZDUSSCGKSA-N 0 3 317.389 2.245 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCC(=C)Br ZINC001164213792 799540585 /nfs/dbraw/zinc/54/05/85/799540585.db2.gz NGOZJNLZRUVVGA-JQWIXIFHSA-N 0 3 303.244 2.449 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](OC)C2CC2)CC1 ZINC001164341536 799576150 /nfs/dbraw/zinc/57/61/50/799576150.db2.gz BABYRVKLWYEBLD-CYBMUJFWSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3n[nH]cc31)C2 ZINC001095417125 799585562 /nfs/dbraw/zinc/58/55/62/799585562.db2.gz HJPZJMJQKNHKSG-OMNBBPDLSA-N 0 3 314.433 2.127 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001164566138 799624011 /nfs/dbraw/zinc/62/40/11/799624011.db2.gz JSOAJIGYLWALGG-ZDUSSCGKSA-N 0 3 324.856 2.152 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001164661040 799639786 /nfs/dbraw/zinc/63/97/86/799639786.db2.gz ODIWEIKTVMMCNM-GHMZBOCLSA-N 0 3 307.207 2.129 20 30 DEEDHN CN(C)C1(C)CN(C(F)(F)c2ccnc(Cl)c2C#N)C1 ZINC001165116947 799653428 /nfs/dbraw/zinc/65/34/28/799653428.db2.gz NQAWQAJHEHWVCW-UHFFFAOYSA-N 0 3 300.740 2.292 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@@H](OC)C2)CC1 ZINC001165857616 799783577 /nfs/dbraw/zinc/78/35/77/799783577.db2.gz MZHXHFUSUZPFSI-ZIAGYGMSSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2cc(C)ncn2)CC1 ZINC001165913493 799793407 /nfs/dbraw/zinc/79/34/07/799793407.db2.gz CMQWDGNCLNZAOV-UHFFFAOYSA-N 0 3 302.422 2.127 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001110992170 799814598 /nfs/dbraw/zinc/81/45/98/799814598.db2.gz PYVBVHKGZPVWTF-APIJFGDWSA-N 0 3 313.873 2.047 20 30 DEEDHN COC(=O)c1cnc([C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000932672998 799887037 /nfs/dbraw/zinc/88/70/37/799887037.db2.gz ONHGSQVNRABSOM-QJPTWQEYSA-N 0 3 305.403 2.411 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000932673407 799887372 /nfs/dbraw/zinc/88/73/72/799887372.db2.gz FDAQPTQIANQOBN-AWEZNQCLSA-N 0 3 308.422 2.015 20 30 DEEDHN C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(C)[C@H]3C)cc21 ZINC000933085666 800010804 /nfs/dbraw/zinc/01/08/04/800010804.db2.gz HROWOIRHUQXWQK-SWLSCSKDSA-N 0 3 313.405 2.436 20 30 DEEDHN CN(CCN1CCC2(CC1)CC(=O)C=CO2)c1ccccc1 ZINC000933651861 800150068 /nfs/dbraw/zinc/15/00/68/800150068.db2.gz PHQGQWSJPNWPFN-UHFFFAOYSA-N 0 3 300.402 2.461 20 30 DEEDHN C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204273763 800198202 /nfs/dbraw/zinc/19/82/02/800198202.db2.gz TWXKHYXQEHOVDU-UHFFFAOYSA-N 0 3 316.401 2.241 20 30 DEEDHN C=CCOc1ccc(CN2CCC(NC(=O)N(C)C)CC2)cc1 ZINC001204302760 800203055 /nfs/dbraw/zinc/20/30/55/800203055.db2.gz RZSQITPSDUFVDA-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001204799287 800258608 /nfs/dbraw/zinc/25/86/08/800258608.db2.gz VUDOMGOTOXHJED-OGGBREFQSA-N 0 3 304.221 2.293 20 30 DEEDHN C#CCCCC(=O)N1CCC(CN[C@H](C)c2cnccn2)CC1 ZINC001205131849 800302489 /nfs/dbraw/zinc/30/24/89/800302489.db2.gz XYGVDAJPLZUKKU-OAHLLOKOSA-N 0 3 314.433 2.169 20 30 DEEDHN C#CCOCCN1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000934661154 800415443 /nfs/dbraw/zinc/41/54/43/800415443.db2.gz OIHTUJBSPQIJRH-RHSMWYFYSA-N 0 3 308.422 2.015 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC001205771420 800417424 /nfs/dbraw/zinc/41/74/24/800417424.db2.gz OBLLQAPLWWMZEP-NVXWUHKLSA-N 0 3 302.418 2.248 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205988502 800454677 /nfs/dbraw/zinc/45/46/77/800454677.db2.gz GGEMNQMAMCWBDB-ZDUSSCGKSA-N 0 3 322.478 2.469 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C1(C#N)CCSCC1 ZINC000935725381 800748281 /nfs/dbraw/zinc/74/82/81/800748281.db2.gz SQYHYGKHWNGBCN-CYBMUJFWSA-N 0 3 309.479 2.260 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207451317 800754699 /nfs/dbraw/zinc/75/46/99/800754699.db2.gz MWOBMVLFEXSLJG-WBVHZDCISA-N 0 3 316.470 2.370 20 30 DEEDHN CC(C)OCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207582160 800783428 /nfs/dbraw/zinc/78/34/28/800783428.db2.gz YYTUHNJNSUDHOH-SFHVURJKSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCCC(C)(C)C)C1 ZINC001207675822 800803995 /nfs/dbraw/zinc/80/39/95/800803995.db2.gz MXJIAMLCJQJXQE-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN Cc1nc(C)c(CNC2(CNC(=O)[C@@H](C)C#N)CCCCC2)o1 ZINC001115453318 800845373 /nfs/dbraw/zinc/84/53/73/800845373.db2.gz NHOWPSHJOZOIMH-LBPRGKRZSA-N 0 3 318.421 2.360 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001208260621 800942593 /nfs/dbraw/zinc/94/25/93/800942593.db2.gz ACIQOKGKRYZFRW-MRXNPFEDSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001208260643 800942621 /nfs/dbraw/zinc/94/26/21/800942621.db2.gz AGUIPILJHRONCY-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001208261753 800944096 /nfs/dbraw/zinc/94/40/96/800944096.db2.gz RLJHKPRWYBHPKI-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208388116 800973814 /nfs/dbraw/zinc/97/38/14/800973814.db2.gz HLCMISPDAITXER-BFYDXBDKSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001208896970 801089217 /nfs/dbraw/zinc/08/92/17/801089217.db2.gz HIEOUOXQFFKRDJ-RHSMWYFYSA-N 0 3 320.408 2.387 20 30 DEEDHN N#Cc1ccc(CCN2CCC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC001208928431 801096101 /nfs/dbraw/zinc/09/61/01/801096101.db2.gz HUINEUIWPRLQKG-GOSISDBHSA-N 0 3 311.429 2.481 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC001209184982 801144328 /nfs/dbraw/zinc/14/43/28/801144328.db2.gz VHSYISATWVUDEX-LSDHHAIUSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001209185821 801145936 /nfs/dbraw/zinc/14/59/36/801145936.db2.gz XNFDPTHZLCSJQO-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCC(=O)N[C@H](C)CCC)C1 ZINC001209375940 801179876 /nfs/dbraw/zinc/17/98/76/801179876.db2.gz XSBZJKQTCFKDDX-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001209507112 801203124 /nfs/dbraw/zinc/20/31/24/801203124.db2.gz ZEUJOPXXSKFEJP-DAXOMENPSA-N 0 3 317.433 2.245 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cnccc1N)CC2 ZINC001209730120 801264864 /nfs/dbraw/zinc/26/48/64/801264864.db2.gz FXKRKCHRDYLDQR-GOSISDBHSA-N 0 3 314.433 2.027 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001210198695 801350142 /nfs/dbraw/zinc/35/01/42/801350142.db2.gz PZTKZEBGBLJRHW-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ncccc2Cl)CC1 ZINC001230083524 801360302 /nfs/dbraw/zinc/36/03/02/801360302.db2.gz NZCIKFRYUISBMI-UHFFFAOYSA-N 0 3 323.824 2.132 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccccc3CC#N)C[C@H]1N2C ZINC001230275805 801380513 /nfs/dbraw/zinc/38/05/13/801380513.db2.gz GXLQBHOPPYNNLS-CUSZFKRNSA-N 0 3 314.385 2.298 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cnc(CC)s2)CC1 ZINC001230417160 801399582 /nfs/dbraw/zinc/39/95/82/801399582.db2.gz BZHZZLONCIBAQY-UHFFFAOYSA-N 0 3 323.462 2.102 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001230646679 801449357 /nfs/dbraw/zinc/44/93/57/801449357.db2.gz UJKXJAWCZRQIFT-HUUCEWRRSA-N 0 3 302.422 2.286 20 30 DEEDHN C#CCCN(CCCNC(=O)c1ccncc1)Cc1cccnc1 ZINC001230653057 801449936 /nfs/dbraw/zinc/44/99/36/801449936.db2.gz MUIBPTGEABONCH-UHFFFAOYSA-N 0 3 322.412 2.122 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230702218 801466323 /nfs/dbraw/zinc/46/63/23/801466323.db2.gz ZQZDALYZIMNSHC-INIZCTEOSA-N 0 3 319.449 2.391 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2cccc(CC)c2)C1 ZINC001210837066 801472939 /nfs/dbraw/zinc/47/29/39/801472939.db2.gz YMALEJTUIVPFFL-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CCCOCC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230931562 801531152 /nfs/dbraw/zinc/53/11/52/801531152.db2.gz AWHMLSCZOXUWQN-UHFFFAOYSA-N 0 3 305.422 2.003 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001211360154 801553166 /nfs/dbraw/zinc/55/31/66/801553166.db2.gz FAKYZBLJIBVQRX-GFCCVEGCSA-N 0 3 321.248 2.479 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001211397136 801560482 /nfs/dbraw/zinc/56/04/82/801560482.db2.gz KWSGGWLCZOWTOX-RHSMWYFYSA-N 0 3 320.408 2.409 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2conc2CC)[C@H](OC)C1 ZINC001213395128 801603223 /nfs/dbraw/zinc/60/32/23/801603223.db2.gz NXHMUJASLWYNRU-APHBMKBZSA-N 0 3 321.421 2.021 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)Cc2cccs2)[C@H](OC)C1 ZINC001213502294 801616207 /nfs/dbraw/zinc/61/62/07/801616207.db2.gz ADGVAQMCCNQVFF-NUEKZKHPSA-N 0 3 322.474 2.318 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ncccc2F)[C@H](OC)C1 ZINC001213615970 801628823 /nfs/dbraw/zinc/62/88/23/801628823.db2.gz NGEHWTWQKSVSKU-BPLDGKMQSA-N 0 3 321.396 2.004 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@H](OC)C1 ZINC001213646879 801631732 /nfs/dbraw/zinc/63/17/32/801631732.db2.gz WGGXZYPLNIQFAP-IAGOWNOFSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CC23CCCC3)[C@H](OC)C1 ZINC001213672052 801632750 /nfs/dbraw/zinc/63/27/50/801632750.db2.gz ZXQYCOSJDLQABT-BZUAXINKSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213895608 801651530 /nfs/dbraw/zinc/65/15/30/801651530.db2.gz JCKJNFHPYUJIFI-KBAYOESNSA-N 0 3 316.445 2.257 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1ccon1 ZINC001231395909 801654200 /nfs/dbraw/zinc/65/42/00/801654200.db2.gz QMZJLUBZRHOYCG-MRXNPFEDSA-N 0 3 305.422 2.496 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC2(CCCNC2=O)CC1 ZINC001231620156 801697231 /nfs/dbraw/zinc/69/72/31/801697231.db2.gz PYEDNTUBHDDLLB-UHFFFAOYSA-N 0 3 313.401 2.059 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC=C(Cl)Cl ZINC001214579758 801735986 /nfs/dbraw/zinc/73/59/86/801735986.db2.gz LPQQRTAUNKJENE-ZYHUDNBSSA-N 0 3 301.217 2.155 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001215427587 801860547 /nfs/dbraw/zinc/86/05/47/801860547.db2.gz DNOCCYPERVJVNA-BZUAXINKSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cnc(C)[nH]1)C2 ZINC001232459016 801886111 /nfs/dbraw/zinc/88/61/11/801886111.db2.gz FJAUYILSGLQDAY-KRWDZBQOSA-N 0 3 302.422 2.251 20 30 DEEDHN Cc1c[nH]c(=O)c(CN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001233193185 802045111 /nfs/dbraw/zinc/04/51/11/802045111.db2.gz UJHQJYIGAZGSMU-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCC3CCC3)[C@H]2C1 ZINC001217608102 802090595 /nfs/dbraw/zinc/09/05/95/802090595.db2.gz YYOPHPLDOXLXGQ-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN CC(C)C#CC(=O)N1CCO[C@@H]2CN(CCCC3CCC3)C[C@@H]21 ZINC001217852996 802116390 /nfs/dbraw/zinc/11/63/90/802116390.db2.gz ZLJLOFKPZDKINK-ZWKOTPCHSA-N 0 3 318.461 2.138 20 30 DEEDHN CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001233692497 802183637 /nfs/dbraw/zinc/18/36/37/802183637.db2.gz GWKHLVYXYKKMHM-MBVDDHJVSA-N 0 3 300.406 2.389 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1C#N ZINC001218914878 802259037 /nfs/dbraw/zinc/25/90/37/802259037.db2.gz FYBNNNRIRRCNQE-INIZCTEOSA-N 0 3 314.389 2.363 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001234060562 802283468 /nfs/dbraw/zinc/28/34/68/802283468.db2.gz SDMADSHFYQEPNA-OAHLLOKOSA-N 0 3 319.453 2.191 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001219155393 802290768 /nfs/dbraw/zinc/29/07/68/802290768.db2.gz DWTFNHQXGYUISO-CABCVRRESA-N 0 3 310.463 2.493 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@@H]1O ZINC001219334998 802313257 /nfs/dbraw/zinc/31/32/57/802313257.db2.gz NNFMSPXZSPQPJT-OIISXLGYSA-N 0 3 302.418 2.184 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCc2cccc(C)c2)C[C@@H]1O ZINC001219334873 802313395 /nfs/dbraw/zinc/31/33/95/802313395.db2.gz KGCZHYWIHGJPDC-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H](O)C1 ZINC001219457909 802336081 /nfs/dbraw/zinc/33/60/81/802336081.db2.gz JTTVAHMXYXDISD-YUELXQCFSA-N 0 3 306.406 2.026 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001234529413 802405575 /nfs/dbraw/zinc/40/55/75/802405575.db2.gz YNOAWYQMKXOQLI-NVXWUHKLSA-N 0 3 318.465 2.327 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H](O)C1 ZINC001220084036 802409358 /nfs/dbraw/zinc/40/93/58/802409358.db2.gz YAGQSYZFAYXFCT-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001220143054 802415009 /nfs/dbraw/zinc/41/50/09/802415009.db2.gz SGPDVILFJNMTTJ-CVEARBPZSA-N 0 3 306.406 2.109 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](O)C1 ZINC001220201057 802425727 /nfs/dbraw/zinc/42/57/27/802425727.db2.gz FGIHRSGAJCYHTK-SJORKVTESA-N 0 3 319.449 2.119 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCO[C@H]1CCOC1 ZINC001234624847 802433996 /nfs/dbraw/zinc/43/39/96/802433996.db2.gz GPSJYRNFWBVQFO-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001220271626 802436121 /nfs/dbraw/zinc/43/61/21/802436121.db2.gz CBBWPFAVZWGXON-KGLIPLIRSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@@H](O)C1 ZINC001220310875 802444020 /nfs/dbraw/zinc/44/40/20/802444020.db2.gz MGTMWPFVQDOWQQ-VXIBKDFQSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)cc2Cl)[C@@H](O)C1 ZINC001220396137 802454240 /nfs/dbraw/zinc/45/42/40/802454240.db2.gz LHQZZGFTQQNDMN-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001220422363 802459160 /nfs/dbraw/zinc/45/91/60/802459160.db2.gz XQESHIWVPMLIQX-XYPHTWIQSA-N 0 3 320.408 2.264 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](O)C1 ZINC001220889823 802509400 /nfs/dbraw/zinc/50/94/00/802509400.db2.gz LQVWZRMHIRXGHW-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCC)C[C@@H]2O)CCCCC1 ZINC001221052389 802524783 /nfs/dbraw/zinc/52/47/83/802524783.db2.gz JGEYKLQDWUCJAQ-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C)CCC(C)CC2)[C@@H](O)C1 ZINC001221124666 802530873 /nfs/dbraw/zinc/53/08/73/802530873.db2.gz SGRYNANHUUPKNO-NDUQDZPOSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCOC(C)C)C[C@H]32)C1 ZINC001221803328 802617147 /nfs/dbraw/zinc/61/71/47/802617147.db2.gz CNCQFFLLYCOPOC-HZPDHXFCSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCN1CC[C@@H]2CN(C(=O)c3cc(CCCCC)[nH]n3)[C@@H]2C1 ZINC001221864247 802622064 /nfs/dbraw/zinc/62/20/64/802622064.db2.gz PYIPCKNTQHTSJH-RHSMWYFYSA-N 0 3 316.449 2.475 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(CCOC)CCCC3)[C@@H]2C1 ZINC001222065293 802635234 /nfs/dbraw/zinc/63/52/34/802635234.db2.gz IQEWSQJLJPKQBT-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001222068131 802636373 /nfs/dbraw/zinc/63/63/73/802636373.db2.gz QGUNPRUIQWRMDB-OCCSQVGLSA-N 0 3 323.462 2.123 20 30 DEEDHN CCN1CCC[C@@H](OCc2nc(-c3ccnc(C#N)c3)no2)C1 ZINC001222802101 802741475 /nfs/dbraw/zinc/74/14/75/802741475.db2.gz IJGHYUYGQRXQCF-CQSZACIVSA-N 0 3 313.361 2.004 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001223163923 802770203 /nfs/dbraw/zinc/77/02/03/802770203.db2.gz BERGALAAFRFXRQ-ZWKOTPCHSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCC2CCN(CC#C)CC2)cc1 ZINC001223163957 802770249 /nfs/dbraw/zinc/77/02/49/802770249.db2.gz DFEMRTQYXNLFBP-UHFFFAOYSA-N 0 3 324.424 2.164 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](CCC)c2ccccn2)CC1 ZINC001224232523 802849484 /nfs/dbraw/zinc/84/94/84/802849484.db2.gz MXJSPGXAFZRPHN-KRWDZBQOSA-N 0 3 313.445 2.427 20 30 DEEDHN C=CCCCC(=O)NCC1CCN([C@@H](CCCC)C(N)=O)CC1 ZINC001224277301 802854644 /nfs/dbraw/zinc/85/46/44/802854644.db2.gz VNBWECMXWCLYAO-INIZCTEOSA-N 0 3 323.481 2.215 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccncc2Cl)CC1 ZINC001224547218 802880507 /nfs/dbraw/zinc/88/05/07/802880507.db2.gz ZEEBNZIYJJBDNN-UHFFFAOYSA-N 0 3 319.836 2.129 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC001224682007 802892688 /nfs/dbraw/zinc/89/26/88/802892688.db2.gz HFXGIYBOQIUSGG-MRXNPFEDSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCCOc2ccccc2)CC1 ZINC001225332653 802955383 /nfs/dbraw/zinc/95/53/83/802955383.db2.gz BOAPRHCBIXJOHJ-UHFFFAOYSA-N 0 3 314.429 2.307 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COc2cccc(F)c2)CC1 ZINC001225410627 802962201 /nfs/dbraw/zinc/96/22/01/802962201.db2.gz LBLRSZWSNQLPSK-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COc2cccc(C)c2)CC1 ZINC001225417471 802963378 /nfs/dbraw/zinc/96/33/78/802963378.db2.gz GIXKTLMQIFXWAA-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](F)Cc2ccccc2)CC1 ZINC001225542155 802979503 /nfs/dbraw/zinc/97/95/03/802979503.db2.gz IPVNCAKWGYIQRQ-QGZVFWFLSA-N 0 3 302.393 2.029 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001225626317 802992836 /nfs/dbraw/zinc/99/28/36/802992836.db2.gz ZLMKKXVACPDVLS-HNNXBMFYSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)C[C@@H]1CCCOC1 ZINC001330988773 1149353972 /nfs/dbraw/zinc/35/39/72/1149353972.db2.gz QEFHNOAQRUWKLB-KGLIPLIRSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(C)[C@@H](C)C(=O)NCCC)CC1 ZINC001331045590 1149368208 /nfs/dbraw/zinc/36/82/08/1149368208.db2.gz RYHMMSJKFGGDIC-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001370092975 1149386651 /nfs/dbraw/zinc/38/66/51/1149386651.db2.gz MDPBAKSNFVVCJZ-KBPBESRZSA-N 0 3 313.873 2.050 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ncc(F)cc1F)C(C)C ZINC001419892241 1168894490 /nfs/dbraw/zinc/89/44/90/1168894490.db2.gz SBTYJEXXFAYJOY-LBPRGKRZSA-N 0 3 317.767 2.456 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](C)NC/C=C/Cl ZINC001331584330 1149544518 /nfs/dbraw/zinc/54/45/18/1149544518.db2.gz KPNYJIYQCXBCIN-KJNDZSAFSA-N 0 3 300.830 2.157 20 30 DEEDHN CC(C)([NH2+]Cc1ccncc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001570922414 948641447 /nfs/dbraw/zinc/64/14/47/948641447.db2.gz ZPAFGMWHHNNYMG-UHFFFAOYSA-N 0 3 319.372 2.158 20 30 DEEDHN COc1ccnc(CN[C@@H](C)CCNC(=O)C#CC(C)(C)C)c1 ZINC001328342862 1148777354 /nfs/dbraw/zinc/77/73/54/1148777354.db2.gz MPXQSCVXPUXSLC-AWEZNQCLSA-N 0 3 317.433 2.124 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](NCc2cn[nH]n2)C(C)C)CCCC1 ZINC001575085032 1069361084 /nfs/dbraw/zinc/36/10/84/1069361084.db2.gz HCKRRCHPSHGTLS-OAHLLOKOSA-N 0 3 319.453 2.172 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](NCc2c[nH]nn2)C(C)C)CCCC1 ZINC001575085032 1069361089 /nfs/dbraw/zinc/36/10/89/1069361089.db2.gz HCKRRCHPSHGTLS-OAHLLOKOSA-N 0 3 319.453 2.172 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001523467261 1069671827 /nfs/dbraw/zinc/67/18/27/1069671827.db2.gz ZEBWPXAFNIUWIB-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCN(CCCCCNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001328502018 1148803120 /nfs/dbraw/zinc/80/31/20/1148803120.db2.gz VRWWGSCUGJPUBW-KRWDZBQOSA-N 0 3 321.509 2.206 20 30 DEEDHN C=CC[N@H+](Cc1ccc(C)c(-c2nn[n-]n2)c1)[C@@H](C)COC ZINC001602851885 1069779136 /nfs/dbraw/zinc/77/91/36/1069779136.db2.gz AYMNPDZJKYQMKY-ZDUSSCGKSA-N 0 3 301.394 2.198 20 30 DEEDHN C=CC[N@@H+](Cc1ccc(C)c(-c2nn[n-]n2)c1)[C@@H](C)COC ZINC001602851885 1069779141 /nfs/dbraw/zinc/77/91/41/1069779141.db2.gz AYMNPDZJKYQMKY-ZDUSSCGKSA-N 0 3 301.394 2.198 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cccc(C)c2F)CC1 ZINC001328529751 1148807131 /nfs/dbraw/zinc/80/71/31/1148807131.db2.gz RWYBDYWKIPCKON-UHFFFAOYSA-N 0 3 320.408 2.267 20 30 DEEDHN C[C@H](CC(C)(C)C#N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001603451520 1069972044 /nfs/dbraw/zinc/97/20/44/1069972044.db2.gz NTFBMAWENUFZII-SNVBAGLBSA-N 0 3 302.357 2.424 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001351103419 1151469956 /nfs/dbraw/zinc/46/99/56/1151469956.db2.gz UMZJMVIEOGOTBB-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)C(=O)CN1CCC[C@@H]1C ZINC001529086510 1070844244 /nfs/dbraw/zinc/84/42/44/1070844244.db2.gz UCFXHBYXCNKQFF-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1cc(C)[nH]c1C ZINC001328766872 1148833247 /nfs/dbraw/zinc/83/32/47/1148833247.db2.gz VSHGYPQOEKNWHJ-MRXNPFEDSA-N 0 3 319.449 2.371 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001368546256 1148488430 /nfs/dbraw/zinc/48/84/30/1148488430.db2.gz CZNDKSKGCSARJW-IIAWOOMASA-N 0 3 314.433 2.349 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)OC ZINC001328797479 1148836746 /nfs/dbraw/zinc/83/67/46/1148836746.db2.gz OFFXUHHEKOMEDW-MSOLQXFVSA-N 0 3 316.445 2.353 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001368558433 1148496066 /nfs/dbraw/zinc/49/60/66/1148496066.db2.gz LJFRCDRZUKZKEG-MGPQQGTHSA-N 0 3 302.846 2.284 20 30 DEEDHN N#Cc1ccnc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC001459847833 1058224030 /nfs/dbraw/zinc/22/40/30/1058224030.db2.gz PZKSPZVVFVPRRG-CQSZACIVSA-N 0 3 308.389 2.328 20 30 DEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc(C#N)ccn1 ZINC001460093178 1058262756 /nfs/dbraw/zinc/26/27/56/1058262756.db2.gz HQNOELSCBHQGNU-KDOFPFPSSA-N 0 3 323.396 2.463 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001499948164 1058396535 /nfs/dbraw/zinc/39/65/35/1058396535.db2.gz OZMFRUBYEKAKAA-ARFHVFGLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)CC1 ZINC001500002030 1058423562 /nfs/dbraw/zinc/42/35/62/1058423562.db2.gz DAQGAZPYLUKJMB-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2ccoc2Cl)CC1 ZINC001500034585 1058445155 /nfs/dbraw/zinc/44/51/55/1058445155.db2.gz RLURJNZHYYOAFZ-UHFFFAOYSA-N 0 3 318.804 2.496 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H](C)OC)C2 ZINC001500156287 1058528185 /nfs/dbraw/zinc/52/81/85/1058528185.db2.gz MOEJKRMOULSPSG-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001460976273 1058556672 /nfs/dbraw/zinc/55/66/72/1058556672.db2.gz SRYSCKACDWXWPB-JOCBIADPSA-N 0 3 321.465 2.320 20 30 DEEDHN Cc1cccc(OCCN2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)c1 ZINC001500197945 1058582774 /nfs/dbraw/zinc/58/27/74/1058582774.db2.gz NLSRXDYYOYAKKN-YJBOKZPZSA-N 0 3 315.417 2.114 20 30 DEEDHN C#Cc1cccc(CNCc2cccc(NS(C)(=O)=O)c2)c1 ZINC001461584498 1058682805 /nfs/dbraw/zinc/68/28/05/1058682805.db2.gz ZADAUSUFTVNFGE-UHFFFAOYSA-N 0 3 314.410 2.329 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)CC2CCCC2)CC1 ZINC001500411385 1058760527 /nfs/dbraw/zinc/76/05/27/1058760527.db2.gz MHAOHPJFERKLNH-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN Cc1cncc(CN2CCC[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001500485008 1058836921 /nfs/dbraw/zinc/83/69/21/1058836921.db2.gz FGDYCLGFQTTXFT-YJBOKZPZSA-N 0 3 314.433 2.268 20 30 DEEDHN Cn1c(CN[C@@H]2CCC[C@@H](C#N)C2)cc(=O)n1-c1ccccc1 ZINC001462633435 1058866044 /nfs/dbraw/zinc/86/60/44/1058866044.db2.gz HGESIMZVTXBCBE-HUUCEWRRSA-N 0 3 310.401 2.348 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cncc(OC)c2C)C1 ZINC001500505383 1058868787 /nfs/dbraw/zinc/86/87/87/1058868787.db2.gz NWLVCIXRWNIUGB-GOSISDBHSA-N 0 3 317.433 2.417 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cncc(OC)c2C)C1 ZINC001500505384 1058870143 /nfs/dbraw/zinc/87/01/43/1058870143.db2.gz NWLVCIXRWNIUGB-SFHVURJKSA-N 0 3 317.433 2.417 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001500725976 1059044241 /nfs/dbraw/zinc/04/42/41/1059044241.db2.gz WTJFYLUMPLAKLE-RDTXWAMCSA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2nnc(C(C)C)[nH]2)C1 ZINC001501034269 1059220943 /nfs/dbraw/zinc/22/09/43/1059220943.db2.gz VSNAVOWKWMJCLE-KGLIPLIRSA-N 0 3 319.453 2.221 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC(F)(F)C(F)F ZINC001501400122 1059491578 /nfs/dbraw/zinc/49/15/78/1059491578.db2.gz OZRTYQJGAZATQV-RYUDHWBXSA-N 0 3 320.330 2.366 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccc(C#N)[nH]1 ZINC001501661359 1059616772 /nfs/dbraw/zinc/61/67/72/1059616772.db2.gz UJRDYZGLPWVYJT-UHFFFAOYSA-N 0 3 320.396 2.271 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)ncn2)cc1 ZINC001501672947 1059627692 /nfs/dbraw/zinc/62/76/92/1059627692.db2.gz KMEGJHHUBANLEX-OAHLLOKOSA-N 0 3 322.412 2.389 20 30 DEEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1ocnc1C)CC2 ZINC001501727960 1059670797 /nfs/dbraw/zinc/67/07/97/1059670797.db2.gz FXYNNUYBNFMXAG-UHFFFAOYSA-N 0 3 303.406 2.374 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001467727578 1059691270 /nfs/dbraw/zinc/69/12/70/1059691270.db2.gz LRFGDCYYHBGWFA-AWEZNQCLSA-N 0 3 320.481 2.182 20 30 DEEDHN COCCCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001501921165 1059779530 /nfs/dbraw/zinc/77/95/30/1059779530.db2.gz PKTPYOQWLZXIEG-UHFFFAOYSA-N 0 3 321.446 2.175 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)c2cccc(OC)c2)CCC1 ZINC001502028995 1059881138 /nfs/dbraw/zinc/88/11/38/1059881138.db2.gz IAILVGOOENEHJW-OAHLLOKOSA-N 0 3 314.429 2.451 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(Cl)cc2C)CCO1 ZINC001502074991 1059911517 /nfs/dbraw/zinc/91/15/17/1059911517.db2.gz SPYWNGUZQMJTCM-OAHLLOKOSA-N 0 3 320.820 2.102 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](CC)CC2CCCC2)CCO1 ZINC001502079116 1059914775 /nfs/dbraw/zinc/91/47/75/1059914775.db2.gz KPDWQPFFGJDOSN-MSOLQXFVSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)CCO1 ZINC001502090562 1059921448 /nfs/dbraw/zinc/92/14/48/1059921448.db2.gz WMKXWRDTTHGKBQ-DAWZGUTISA-N 0 3 318.461 2.043 20 30 DEEDHN CN(CCCN(C)C(=O)C#CC(C)(C)C)Cc1cccnc1 ZINC001502193077 1060040343 /nfs/dbraw/zinc/04/03/43/1060040343.db2.gz PLYGLLUZZGMMIF-UHFFFAOYSA-N 0 3 301.434 2.411 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001502354042 1060063669 /nfs/dbraw/zinc/06/36/69/1060063669.db2.gz SICOABXEAHGHSG-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC001502537821 1060170505 /nfs/dbraw/zinc/17/05/05/1060170505.db2.gz BHYQHIZIAWQKRV-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001496028365 1060180917 /nfs/dbraw/zinc/18/09/17/1060180917.db2.gz PEKRSLROQNIRIZ-ZIAGYGMSSA-N 0 3 317.820 2.288 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001502594671 1060189754 /nfs/dbraw/zinc/18/97/54/1060189754.db2.gz BDNHRNDXSFWSRB-SFHVURJKSA-N 0 3 308.466 2.025 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNCC(=C)Cl)CCOCC1 ZINC001502625876 1060204064 /nfs/dbraw/zinc/20/40/64/1060204064.db2.gz FWQWQZFPUKIDFN-UHFFFAOYSA-N 0 3 300.830 2.350 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001327259145 1148504306 /nfs/dbraw/zinc/50/43/06/1148504306.db2.gz ZYRSNNYRMVSUNW-WMZOPIPTSA-N 0 3 308.466 2.243 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCc2cc(C)on2)C(C)(C)C1 ZINC001502832794 1060341815 /nfs/dbraw/zinc/34/18/15/1060341815.db2.gz ZCBFQKHNVCCQOK-OAHLLOKOSA-N 0 3 305.422 2.318 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1Cc1ccc(C#N)cc1 ZINC001502922062 1060393502 /nfs/dbraw/zinc/39/35/02/1060393502.db2.gz FJRFUOOVWABDRD-DNVCBOLYSA-N 0 3 321.424 2.441 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccsc2)C[C@H]1C ZINC001503004054 1060420520 /nfs/dbraw/zinc/42/05/20/1060420520.db2.gz VNHQHLFDWPIBAU-ZIAGYGMSSA-N 0 3 306.431 2.119 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)C ZINC001505603440 1060767058 /nfs/dbraw/zinc/76/70/58/1060767058.db2.gz WCSNGVGZHWANTC-RYUDHWBXSA-N 0 3 307.463 2.402 20 30 DEEDHN C#CCC[NH2+]C1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001505774423 1060950975 /nfs/dbraw/zinc/95/09/75/1060950975.db2.gz XWDJVRWIKWXFAO-UHFFFAOYSA-N 0 3 300.402 2.388 20 30 DEEDHN CCCCCCCC[C@@H](CO)NC(=O)N[C@H]1CCCN(C)C1 ZINC001477560209 1061181052 /nfs/dbraw/zinc/18/10/52/1061181052.db2.gz DBIDCFNLQHKIAJ-HOTGVXAUSA-N 0 3 313.486 2.491 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)CCO[C@H]1CC1(F)F ZINC001505976638 1061196127 /nfs/dbraw/zinc/19/61/27/1061196127.db2.gz PWJNIJABPQQJPL-STQMWFEESA-N 0 3 318.408 2.449 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccnnc1C ZINC001479227438 1061302047 /nfs/dbraw/zinc/30/20/47/1061302047.db2.gz YFMZPNBYCROQRT-UKRRQHHQSA-N 0 3 302.422 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001479330284 1061394271 /nfs/dbraw/zinc/39/42/71/1061394271.db2.gz QAIGLDWAXFOUCL-GUTXKFCHSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001479427077 1061453116 /nfs/dbraw/zinc/45/31/16/1061453116.db2.gz HKMOYWWQZJCEFQ-DLBZAZTESA-N 0 3 302.418 2.183 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)CSC)C2)CC1 ZINC001479502479 1061479290 /nfs/dbraw/zinc/47/92/90/1061479290.db2.gz OJEHYZXLJYLIIE-GJZGRUSLSA-N 0 3 308.491 2.322 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNCc1ccn(C)n1 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/nfs/dbraw/zinc/66/34/76/1062663476.db2.gz SXJQVTSSAFOMJE-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](C)OCCC(C)C ZINC001480334394 1062672393 /nfs/dbraw/zinc/67/23/93/1062672393.db2.gz DORWZBPGAGFNFV-IAGOWNOFSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCC(=O)NC(C)C ZINC001480357529 1062707533 /nfs/dbraw/zinc/70/75/33/1062707533.db2.gz VXQICYUQPYFUKZ-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1csc([C@H]2CCCO2)n1 ZINC001507075684 1062788236 /nfs/dbraw/zinc/78/82/36/1062788236.db2.gz ZXCBYEPLYOMJJH-TZMCWYRMSA-N 0 3 321.446 2.068 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001507124169 1062876878 /nfs/dbraw/zinc/87/68/78/1062876878.db2.gz GYYQXJANZZJAST-WNRNVDISSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1cn(C)nc1C(F)F ZINC001480469079 1062908677 /nfs/dbraw/zinc/90/86/77/1062908677.db2.gz PHLNSAYBLOQIEP-NSHDSACASA-N 0 3 314.380 2.308 20 30 DEEDHN C[C@H](CN(C)C(=O)Cc1ccc[nH]1)NCC#Cc1ccccc1 ZINC001507161231 1062935279 /nfs/dbraw/zinc/93/52/79/1062935279.db2.gz YVENKIRAAXVIMT-MRXNPFEDSA-N 0 3 309.413 2.045 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cnn(C)c2)CCCC1 ZINC001507167391 1062945734 /nfs/dbraw/zinc/94/57/34/1062945734.db2.gz YLOXVRTZXFBGJA-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001507278759 1063023512 /nfs/dbraw/zinc/02/35/12/1063023512.db2.gz RKHOJHBLYKEMCG-PKOBYXMFSA-N 0 3 308.425 2.421 20 30 DEEDHN C[C@H](CNC(=O)[C@@]1(C)CCCOC1)NCc1ccc(C#N)s1 ZINC001480562172 1063036039 /nfs/dbraw/zinc/03/60/39/1063036039.db2.gz AJJSWAAKFQALDT-WBMJQRKESA-N 0 3 321.446 2.031 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cncc3ccccc32)C1 ZINC001507311975 1063079564 /nfs/dbraw/zinc/07/95/64/1063079564.db2.gz DYJDIBIZUAIRDG-CRAIPNDOSA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](CCC)OCC)CCC[C@H]12 ZINC001507346693 1063135428 /nfs/dbraw/zinc/13/54/28/1063135428.db2.gz 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/nfs/dbraw/zinc/53/42/69/1063534269.db2.gz NCYZFWKWWGVGPE-CQSZACIVSA-N 0 3 319.474 2.316 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCc2cccc(OCC)c2)C1 ZINC001493266888 1063679608 /nfs/dbraw/zinc/67/96/08/1063679608.db2.gz KDIXBDJAXLMTRK-QGZVFWFLSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CCN(CCNC(=O)C[C@H]1OCCc2ccccc21)C1CC1 ZINC001493436765 1063793880 /nfs/dbraw/zinc/79/38/80/1063793880.db2.gz YKQHTZJBJUCBNK-GOSISDBHSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(C)CN(CCNC(=O)Cc1ccccc1OC)C1CC1 ZINC001493447577 1063802466 /nfs/dbraw/zinc/80/24/66/1063802466.db2.gz TWXNTSQDTGVEIM-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C#Cc1cncc(C(=O)N2CC[C@H](CN(C)C/C=C/Cl)C2)c1 ZINC001494160785 1064147971 /nfs/dbraw/zinc/14/79/71/1064147971.db2.gz SCPXUJHOITVUJG-CSPWOOARSA-N 0 3 317.820 2.209 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1coc(Br)c1 ZINC001567334068 1064148596 /nfs/dbraw/zinc/14/85/96/1064148596.db2.gz ROXUIFHGDCQOES-UHFFFAOYSA-N 0 3 301.184 2.280 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001567419536 1064191450 /nfs/dbraw/zinc/19/14/50/1064191450.db2.gz PPGUQLIRSCEKRZ-DOTOQJQBSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2[n-]ncc2C(F)(F)F)C1 ZINC001494395921 1064239173 /nfs/dbraw/zinc/23/91/73/1064239173.db2.gz CBSOQLBMNGIJAK-SECBINFHSA-N 0 3 316.327 2.197 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC[C@@H](F)C1 ZINC001567551250 1064248509 /nfs/dbraw/zinc/24/85/09/1064248509.db2.gz YIHVGVNEDDWGMK-DZGCQCFKSA-N 0 3 321.371 2.384 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNCc2ccnn2C)CCCC1 ZINC001567617077 1064283898 /nfs/dbraw/zinc/28/38/98/1064283898.db2.gz BWZWTAHMPCEUPD-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)Cn1nccc1C)c1ccccc1 ZINC001567664913 1064329390 /nfs/dbraw/zinc/32/93/90/1064329390.db2.gz XTORMYLGKNCMKZ-QGZVFWFLSA-N 0 3 312.417 2.215 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)Cc2cscn2)C1 ZINC001567688506 1064346818 /nfs/dbraw/zinc/34/68/18/1064346818.db2.gz NDIUALZFQCFHFX-HNNXBMFYSA-N 0 3 305.447 2.022 20 30 DEEDHN C=CCCCCCN1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001567818957 1064440627 /nfs/dbraw/zinc/44/06/27/1064440627.db2.gz VRZJBWMMIVJOFI-KRWDZBQOSA-N 0 3 307.482 2.408 20 30 DEEDHN C#CCCCCCC(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001567837703 1064452569 /nfs/dbraw/zinc/45/25/69/1064452569.db2.gz NOTRULURRLPQNI-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001494786376 1064464636 /nfs/dbraw/zinc/46/46/36/1064464636.db2.gz INQBFMVNLPKNBK-SJORKVTESA-N 0 3 301.434 2.056 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001567900315 1064492835 /nfs/dbraw/zinc/49/28/35/1064492835.db2.gz NULHDWMXXXVRFI-MRXNPFEDSA-N 0 3 302.418 2.449 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCn2cc(C)cn2)C1 ZINC001567944747 1064551813 /nfs/dbraw/zinc/55/18/13/1064551813.db2.gz AFPGQIMFCSTGQN-INIZCTEOSA-N 0 3 304.438 2.081 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](CC)NCc2cccnc2)cc1 ZINC001567972511 1064569539 /nfs/dbraw/zinc/56/95/39/1064569539.db2.gz SMCRMVKQCWKRRU-GOSISDBHSA-N 0 3 307.397 2.361 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)COCc2ccncc2)C1 ZINC001494918139 1064573487 /nfs/dbraw/zinc/57/34/87/1064573487.db2.gz PVEFGEHRZZVOJT-KRWDZBQOSA-N 0 3 317.433 2.097 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)COC(C)C)C1 ZINC001568050853 1064620564 /nfs/dbraw/zinc/62/05/64/1064620564.db2.gz IBEQRKSGMUJRRM-CQSZACIVSA-N 0 3 302.846 2.382 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC001568110692 1064652743 /nfs/dbraw/zinc/65/27/43/1064652743.db2.gz OVCYASHEIMGTQM-SHTZXODSSA-N 0 3 304.438 2.293 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CC(F)(F)C(F)F)cc1 ZINC001568120973 1064656647 /nfs/dbraw/zinc/65/66/47/1064656647.db2.gz IZYZVPQLCOKSRM-UHFFFAOYSA-N 0 3 316.298 2.316 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NCc1cnc(C)nc1 ZINC001495039673 1064658302 /nfs/dbraw/zinc/65/83/02/1064658302.db2.gz USOJJZNCYARIEP-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN N#CCSCC(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001568123527 1064658958 /nfs/dbraw/zinc/65/89/58/1064658958.db2.gz BNUTUNCRVNTHFW-KTAJNNJTSA-N 0 3 315.870 2.214 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C(C)C ZINC001568133612 1064663642 /nfs/dbraw/zinc/66/36/42/1064663642.db2.gz IZNRCMQISHHGAQ-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C=C(CC)CC ZINC001568136013 1064665520 /nfs/dbraw/zinc/66/55/20/1064665520.db2.gz GFIVYHOJGJFFJB-GDBMZVCRSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CN[C@@H]1CCN(C(C)C)C1=O ZINC001568303904 1064765789 /nfs/dbraw/zinc/76/57/89/1064765789.db2.gz WCDHNHBNBZNNFC-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2cc(OC)no2)[C@@H](C)C1 ZINC001568362405 1064805282 /nfs/dbraw/zinc/80/52/82/1064805282.db2.gz FRCLDCRKSAXIIK-ZFWWWQNUSA-N 0 3 321.421 2.366 20 30 DEEDHN Cc1cc(CNCC[C@H]2CCCCN2C(=O)[C@H](C)C#N)on1 ZINC001568379225 1064823113 /nfs/dbraw/zinc/82/31/13/1064823113.db2.gz OXCBNLGDHNETSS-TZMCWYRMSA-N 0 3 304.394 2.004 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(CCN(C)[C@H](C)C(N)=O)CC1 ZINC001568437738 1064872392 /nfs/dbraw/zinc/87/23/92/1064872392.db2.gz GULCVVGPDCKWJJ-CQSZACIVSA-N 0 3 323.481 2.023 20 30 DEEDHN CCc1noc(C)c1CN[C@H](CNC(=O)C#CC(C)C)C(C)C ZINC001568448492 1064880394 /nfs/dbraw/zinc/88/03/94/1064880394.db2.gz GKNFEJAZBQYJKF-QGZVFWFLSA-N 0 3 319.449 2.435 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001568483424 1064901890 /nfs/dbraw/zinc/90/18/90/1064901890.db2.gz UUJLAWDBFAVISG-OAHLLOKOSA-N 0 3 320.408 2.343 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN(C)Cc1ccccc1CC ZINC001568483114 1064903302 /nfs/dbraw/zinc/90/33/02/1064903302.db2.gz ISMZHGWIXZQRMQ-INIZCTEOSA-N 0 3 316.445 2.178 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC001568493495 1064909289 /nfs/dbraw/zinc/90/92/89/1064909289.db2.gz WIOMIZVWLAMZQF-DZGCQCFKSA-N 0 3 304.438 2.042 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001568494818 1064913555 /nfs/dbraw/zinc/91/35/55/1064913555.db2.gz OHFKWYVBPIFDSC-UHFFFAOYSA-N 0 3 315.417 2.374 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001568501209 1064914857 /nfs/dbraw/zinc/91/48/57/1064914857.db2.gz HAIRCQRLRUAAFG-UHFFFAOYSA-N 0 3 316.405 2.260 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(F)cncc1F ZINC001568637089 1065010731 /nfs/dbraw/zinc/01/07/31/1065010731.db2.gz MCOHKKATDOIYMZ-VIFPVBQESA-N 0 3 303.740 2.210 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCCN(CC)C(=O)C=C1CCCCC1 ZINC001568729184 1065082555 /nfs/dbraw/zinc/08/25/55/1065082555.db2.gz DKLACORMUADEFY-OAHLLOKOSA-N 0 3 321.465 2.006 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1c(F)cc(OC)cc1F ZINC001568779422 1065113274 /nfs/dbraw/zinc/11/32/74/1065113274.db2.gz UCYVFSNVIWEMBY-UHFFFAOYSA-N 0 3 310.344 2.048 20 30 DEEDHN N#CCSCC(=O)NC/C=C/CNCc1cccc(Cl)c1 ZINC001568816866 1065135353 /nfs/dbraw/zinc/13/53/53/1065135353.db2.gz BCQKIGGAWIYEGF-OWOJBTEDSA-N 0 3 323.849 2.359 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C\CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001568826922 1065142353 /nfs/dbraw/zinc/14/23/53/1065142353.db2.gz IOOINEPMSZVTHR-BKGLOODYSA-N 0 3 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C#CCCN1CCC[C@](CO)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001569902695 1065805385 /nfs/dbraw/zinc/80/53/85/1065805385.db2.gz ZDAAZQSPURKAKZ-IBGZPJMESA-N 0 3 320.477 2.169 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@](C)(O)C=C ZINC001570026262 1065888404 /nfs/dbraw/zinc/88/84/04/1065888404.db2.gz ZTKYPJCDZMNUKF-IBGZPJMESA-N 0 3 314.429 2.085 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@H](C)c1n[nH]c(CC)n1 ZINC001570080711 1065917031 /nfs/dbraw/zinc/91/70/31/1065917031.db2.gz SNBOBBWTNYUPAH-ZIAGYGMSSA-N 0 3 319.453 2.365 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnn(C(C)(C)C)c1C ZINC001570197431 1065969200 /nfs/dbraw/zinc/96/92/00/1065969200.db2.gz IKMGEYQXXMFIOU-UHFFFAOYSA-N 0 3 318.465 2.364 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(CC)CCOCC2)C[C@H]1C ZINC001570445718 1066073759 /nfs/dbraw/zinc/07/37/59/1066073759.db2.gz PJNHELZWYDYHFW-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCOc2ccccc2C)C[C@@H]1C ZINC001570449425 1066076629 /nfs/dbraw/zinc/07/66/29/1066076629.db2.gz 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NCc2ccccc2)CC1 ZINC001499388552 1067204312 /nfs/dbraw/zinc/20/43/12/1067204312.db2.gz FAMHIUPOZDHGHJ-IRXDYDNUSA-N 0 3 314.429 2.406 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc2nonc2c1 ZINC001483372425 1078489192 /nfs/dbraw/zinc/48/91/92/1078489192.db2.gz HLRCIEJDXYYAMB-LBPRGKRZSA-N 0 3 316.405 2.372 20 30 DEEDHN COc1ccc(C#N)cc1NCc1nc2c(s1)CNCC2 ZINC001579188760 1067252952 /nfs/dbraw/zinc/25/29/52/1067252952.db2.gz ORFZHTHZTIDTOS-UHFFFAOYSA-N 0 3 300.387 2.281 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@H](C)OCCCC)C2)CC1 ZINC001499578471 1067265694 /nfs/dbraw/zinc/26/56/94/1067265694.db2.gz OWZYHTKVARQPCZ-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1c[nH]nc1-c1ccsc1 ZINC001483405658 1078510486 /nfs/dbraw/zinc/51/04/86/1078510486.db2.gz ZVLSIIVPENBINS-NSHDSACASA-N 0 3 304.419 2.374 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(OC)CCC1 ZINC001279556449 1078511529 /nfs/dbraw/zinc/51/15/29/1078511529.db2.gz QYHOWYUTFKAVGV-HZPDHXFCSA-N 0 3 304.434 2.034 20 30 DEEDHN Cc1c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc(CN)n1C ZINC001579524307 1067360539 /nfs/dbraw/zinc/36/05/39/1067360539.db2.gz LBWZKOJVCLUYQG-QGZVFWFLSA-N 0 3 308.385 2.081 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2cc3n(n2)CCC3)C1 ZINC001267043933 1078523914 /nfs/dbraw/zinc/52/39/14/1078523914.db2.gz NIUUEDWOJPOSPF-HNNXBMFYSA-N 0 3 316.449 2.124 20 30 DEEDHN Cc1nc2c(s1)[C@@H](NC(=O)[C@@H](N)CCCCC#N)CCC2 ZINC001579867787 1067442009 /nfs/dbraw/zinc/44/20/09/1067442009.db2.gz CVSIKWICZPVTMI-AAEUAGOBSA-N 0 3 306.435 2.356 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCC[C@H]1CNCc1cscn1 ZINC001483430801 1078529209 /nfs/dbraw/zinc/52/92/09/1078529209.db2.gz FEDURVZMXRBQOP-ZFWWWQNUSA-N 0 3 323.462 2.110 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccn2)CCC1 ZINC001580050816 1067482999 /nfs/dbraw/zinc/48/29/99/1067482999.db2.gz NDWLQVYYUXJZBK-CQSZACIVSA-N 0 3 300.406 2.031 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001483479862 1078558440 /nfs/dbraw/zinc/55/84/40/1078558440.db2.gz SVFSMDPGEGVISN-UHFFFAOYSA-N 0 3 320.771 2.162 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCCN[C@@H](C)c2cnccn2)C1 ZINC001483490824 1078562975 /nfs/dbraw/zinc/56/29/75/1078562975.db2.gz QGPZFRQBCXVQOH-AWEZNQCLSA-N 0 3 302.422 2.332 20 30 DEEDHN CCCCCCCC[C@H](CO)NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC001638550831 1078569649 /nfs/dbraw/zinc/56/96/49/1078569649.db2.gz RCDSLMATDORMDT-XHSDSOJGSA-N 0 3 313.486 2.490 20 30 DEEDHN Cc1c[nH]cc1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001483509265 1078576124 /nfs/dbraw/zinc/57/61/24/1078576124.db2.gz HMSAGOWMPQYDKB-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CC(C)OCC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001483549514 1078591671 /nfs/dbraw/zinc/59/16/71/1078591671.db2.gz MRKNZUFQEBZTCO-OAHLLOKOSA-N 0 3 321.446 2.029 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC001267114737 1078592440 /nfs/dbraw/zinc/59/24/40/1078592440.db2.gz LSJBBGPIBNJNRB-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccnn1C1CCC1 ZINC001570530527 1067987235 /nfs/dbraw/zinc/98/72/35/1067987235.db2.gz MHVQILRVKXOQRF-HNNXBMFYSA-N 0 3 302.422 2.331 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1sccc1CN(C)C ZINC001640016546 1078637757 /nfs/dbraw/zinc/63/77/57/1078637757.db2.gz ZPVWIPKLKGYSQD-UHFFFAOYSA-N 0 3 309.479 2.390 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H](C)NC(=O)C=C1CCC1 ZINC001570596010 1068027338 /nfs/dbraw/zinc/02/73/38/1068027338.db2.gz NRZNOSCSNUJOOK-CABCVRRESA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C1(C(=O)OC(C)(C)C)CCC1 ZINC001640019737 1078637449 /nfs/dbraw/zinc/63/74/49/1078637449.db2.gz GMKLBFYGCYBXIW-UHFFFAOYSA-N 0 3 324.465 2.465 20 30 DEEDHN C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001570680405 1068066020 /nfs/dbraw/zinc/06/60/20/1068066020.db2.gz CMIXUFUIPUMREZ-UHFFFAOYSA-N 0 3 320.437 2.145 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001570702181 1068079388 /nfs/dbraw/zinc/07/93/88/1068079388.db2.gz MJXDIXNLJJMGCF-CQSZACIVSA-N 0 3 308.397 2.273 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)C(C)(C)C1 ZINC001570894835 1068152864 /nfs/dbraw/zinc/15/28/64/1068152864.db2.gz KCAOCZTUMXVSKX-KXPUMZMLSA-N 0 3 317.433 2.057 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1c(C)nn(C)c1C ZINC001571291394 1068210195 /nfs/dbraw/zinc/21/01/95/1068210195.db2.gz CBMNDAQFBQVNEU-LLVKDONJSA-N 0 3 312.845 2.278 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1ccc2c(c1)CCCO2 ZINC001571391467 1068270806 /nfs/dbraw/zinc/27/08/06/1068270806.db2.gz BVVUGFNIVJXPEC-HNNXBMFYSA-N 0 3 314.429 2.014 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2nc(CC)no2)[C@@H]1C ZINC001571524782 1068397033 /nfs/dbraw/zinc/39/70/33/1068397033.db2.gz KGEYOAUTUYKSNG-UONOGXRCSA-N 0 3 320.437 2.110 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H](NCCF)C(C)(C)C1)OCC ZINC001571558927 1068420171 /nfs/dbraw/zinc/42/01/71/1068420171.db2.gz UHCZGJMRWBEPME-KGLIPLIRSA-N 0 3 300.418 2.154 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)OCC(C)C)CC1 ZINC001571646800 1068456755 /nfs/dbraw/zinc/45/67/55/1068456755.db2.gz HTBBRSSZDMYOSB-JKSUJKDBSA-N 0 3 308.466 2.288 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)C3=CCCC3)CC2)CC1 ZINC001571668493 1068469834 /nfs/dbraw/zinc/46/98/34/1068469834.db2.gz TWHITFYYFVIJNJ-UHFFFAOYSA-N 0 3 316.445 2.107 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001483653540 1078744944 /nfs/dbraw/zinc/74/49/44/1078744944.db2.gz RJQBHMXLQPDMIF-NEPJUHHUSA-N 0 3 310.829 2.232 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N(C)C(=O)CN(CC)CC)CC1 ZINC001571867941 1068559414 /nfs/dbraw/zinc/55/94/14/1068559414.db2.gz BOSBLWUKPKXDIE-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001483653508 1078745166 /nfs/dbraw/zinc/74/51/66/1078745166.db2.gz RARQVTUKICRTCR-GFCCVEGCSA-N 0 3 310.829 2.327 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001571982210 1068604869 /nfs/dbraw/zinc/60/48/69/1068604869.db2.gz LGASIVZSJOMSSD-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001267304805 1078750298 /nfs/dbraw/zinc/75/02/98/1078750298.db2.gz MTQLZDZYYXSVIN-UZLBHIALSA-N 0 3 310.441 2.352 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001267305861 1078751809 /nfs/dbraw/zinc/75/18/09/1078751809.db2.gz OPVMYMDVFKENSH-LSDHHAIUSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001483658705 1078758827 /nfs/dbraw/zinc/75/88/27/1078758827.db2.gz PAOQAPFJJRDWDL-YOEHRIQHSA-N 0 3 317.433 2.387 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001267315671 1078758848 /nfs/dbraw/zinc/75/88/48/1078758848.db2.gz RDXLKQKKLSXCQO-SFHVURJKSA-N 0 3 314.429 2.266 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cn1c(C)cc2ccccc21 ZINC001267315082 1078759296 /nfs/dbraw/zinc/75/92/96/1078759296.db2.gz QPCBYTZYJIZLTC-UHFFFAOYSA-N 0 3 311.429 2.411 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001572261546 1068710558 /nfs/dbraw/zinc/71/05/58/1068710558.db2.gz UZYPEVJZVBWIBX-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001514597424 1068741121 /nfs/dbraw/zinc/74/11/21/1068741121.db2.gz RZICQFDMQRPRJB-XHSDSOJGSA-N 0 3 307.438 2.063 20 30 DEEDHN CCO[C@H](CC)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001267353603 1078787917 /nfs/dbraw/zinc/78/79/17/1078787917.db2.gz URUIQLXRMMNZFY-MRXNPFEDSA-N 0 3 321.396 2.060 20 30 DEEDHN C#CCCCCC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001267365266 1078796100 /nfs/dbraw/zinc/79/61/00/1078796100.db2.gz SBMPYFGYROIHEW-UHFFFAOYSA-N 0 3 315.392 2.439 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001572642662 1068860741 /nfs/dbraw/zinc/86/07/41/1068860741.db2.gz KJXYTJLDGKEPLC-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001643761013 1078812661 /nfs/dbraw/zinc/81/26/61/1078812661.db2.gz ZRHPYXVOXQBTNN-HKUYNNGSSA-N 0 3 316.445 2.437 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2cccc(CC)c2)nc1 ZINC001480937864 1078813018 /nfs/dbraw/zinc/81/30/18/1078813018.db2.gz LLLMQUNNTRTTOG-UHFFFAOYSA-N 0 3 321.424 2.487 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1csc2nccn12 ZINC001483703525 1078821924 /nfs/dbraw/zinc/82/19/24/1078821924.db2.gz XMYYUKYTYHCUDU-CYBMUJFWSA-N 0 3 318.446 2.095 20 30 DEEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC001518425494 1069003273 /nfs/dbraw/zinc/00/32/73/1069003273.db2.gz GVNWZBYDINCUMM-ZLKJLUDKSA-N 0 3 320.776 2.090 20 30 DEEDHN Cn1cnc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1=O ZINC001518424976 1069004106 /nfs/dbraw/zinc/00/41/06/1069004106.db2.gz BUBXKLUNCNXOIY-VIFPVBQESA-N 0 3 316.386 2.024 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001573518528 1069027894 /nfs/dbraw/zinc/02/78/94/1069027894.db2.gz BHOSRLWWWWPAHW-OAGGEKHMSA-N 0 3 323.481 2.035 20 30 DEEDHN CC[C@H]1CN(C(=O)c2ccc(C#N)cc2OC)[C@@H](CC)CN1 ZINC001573716408 1069077543 /nfs/dbraw/zinc/07/75/43/1069077543.db2.gz AJNRJXMBQBZPFZ-KBPBESRZSA-N 0 3 301.390 2.169 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001521000092 1069198322 /nfs/dbraw/zinc/19/83/22/1069198322.db2.gz WMUWPBLWSYIVMQ-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccccc1CNCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001272429326 1078867568 /nfs/dbraw/zinc/86/75/68/1078867568.db2.gz FCSMEBYZNICCAX-QGZVFWFLSA-N 0 3 321.424 2.300 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001574766560 1069260055 /nfs/dbraw/zinc/26/00/55/1069260055.db2.gz UHHZGLRDMJYRIO-IBGZPJMESA-N 0 3 304.393 2.214 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CCc2ccncc2)C1 ZINC001267466494 1078879559 /nfs/dbraw/zinc/87/95/59/1078879559.db2.gz PJGYQBLTDFOVQB-GOSISDBHSA-N 0 3 313.445 2.350 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001574851133 1069276997 /nfs/dbraw/zinc/27/69/97/1069276997.db2.gz ANKXEZSWPKLOKH-IHRRRGAJSA-N 0 3 300.830 2.122 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001574857478 1069279545 /nfs/dbraw/zinc/27/95/45/1069279545.db2.gz VURAQCBMISVPOJ-HNNXBMFYSA-N 0 3 318.808 2.018 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001574856788 1069279652 /nfs/dbraw/zinc/27/96/52/1069279652.db2.gz GUOJTULRSVBWRI-CYBMUJFWSA-N 0 3 308.813 2.480 20 30 DEEDHN CC(C)(NCc1cc(=O)n2ncc(C#N)c2[nH]1)c1cccs1 ZINC001645194441 1078884485 /nfs/dbraw/zinc/88/44/85/1078884485.db2.gz ZBFQTSMTZYJWCW-UHFFFAOYSA-N 0 3 313.386 2.393 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)cc1OC ZINC001574908189 1069293932 /nfs/dbraw/zinc/29/39/32/1069293932.db2.gz GSYLMFOGNDEVNF-CYBMUJFWSA-N 0 3 305.378 2.276 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(-c2nnco2)cc1 ZINC001574908410 1069294586 /nfs/dbraw/zinc/29/45/86/1069294586.db2.gz MTEZMQBZELTTKE-CQSZACIVSA-N 0 3 300.362 2.036 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001543364247 1072492082 /nfs/dbraw/zinc/49/20/82/1072492082.db2.gz QGVGVWNRBFTALC-BJIFSAINSA-N 0 3 318.392 2.399 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001493330924 1078916919 /nfs/dbraw/zinc/91/69/19/1078916919.db2.gz NVYTUTVXNICAEP-IBGZPJMESA-N 0 3 314.429 2.154 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC(=O)N1CCC1)C(C)C ZINC001267506117 1078936553 /nfs/dbraw/zinc/93/65/53/1078936553.db2.gz XBKNMGIBQXFSLR-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnn(CCF)c1)c1ccccc1 ZINC001267520222 1078949624 /nfs/dbraw/zinc/94/96/24/1078949624.db2.gz KIFCOIPYGVROFU-INIZCTEOSA-N 0 3 316.380 2.099 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)COCC(F)F)C1 ZINC001267543398 1078972642 /nfs/dbraw/zinc/97/26/42/1078972642.db2.gz GQVTUMBDYZCCGQ-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001267536094 1078966263 /nfs/dbraw/zinc/96/62/63/1078966263.db2.gz MIHLSKVGHHHRPD-UKRRQHHQSA-N 0 3 319.453 2.359 20 30 DEEDHN Cn1cccc1CN1CCC2(CCN(CCCC#N)C2=O)CC1 ZINC001272576584 1078975757 /nfs/dbraw/zinc/97/57/57/1078975757.db2.gz CEFVDAPTJJXVNB-UHFFFAOYSA-N 0 3 314.433 2.143 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc(OC)ccn2)C1 ZINC001267546028 1078975904 /nfs/dbraw/zinc/97/59/04/1078975904.db2.gz HGLMMXKEAQKYGX-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccn(C)c2C)C1 ZINC001267547647 1078979611 /nfs/dbraw/zinc/97/96/11/1078979611.db2.gz ZATIOJTVQNVMLJ-MRXNPFEDSA-N 0 3 301.434 2.283 20 30 DEEDHN CC#CCNC1(CNC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC001483744098 1078981588 /nfs/dbraw/zinc/98/15/88/1078981588.db2.gz NHHAVSUQFUPBOO-SNAWJCMRSA-N 0 3 300.377 2.491 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)cn1 ZINC001267567950 1079002746 /nfs/dbraw/zinc/00/27/46/1079002746.db2.gz RUYJSHUDVNDZFV-FCIQKIPGSA-N 0 3 317.820 2.257 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001267570399 1079024845 /nfs/dbraw/zinc/02/48/45/1079024845.db2.gz OECAIJUMFMCSMK-WMZOPIPTSA-N 0 3 306.450 2.067 20 30 DEEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1c(F)cccc1F ZINC001649015855 1079029816 /nfs/dbraw/zinc/02/98/16/1079029816.db2.gz BMTHMBNDWNVYDK-CPJULBENSA-N 0 3 319.355 2.281 20 30 DEEDHN CCN(CCNC(=O)c1c[nH]cc1C)Cc1ccc(C#N)cc1 ZINC001481016772 1079065823 /nfs/dbraw/zinc/06/58/23/1079065823.db2.gz SZLJBGXOCAIEIS-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN Cc1oncc1CN(C)CC1CCN(C(=O)C#CC(C)C)CC1 ZINC001267599063 1079119780 /nfs/dbraw/zinc/11/97/80/1079119780.db2.gz AWSSBHHAWXHBCF-UHFFFAOYSA-N 0 3 317.433 2.313 20 30 DEEDHN C[C@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)C#CC1CC1 ZINC001649450111 1079124457 /nfs/dbraw/zinc/12/44/57/1079124457.db2.gz VNRPBLKRISKCCK-GFCCVEGCSA-N 0 3 306.356 2.315 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001483821422 1079132825 /nfs/dbraw/zinc/13/28/25/1079132825.db2.gz LNSUQAXOHDKHJQ-UHFFFAOYSA-N 0 3 324.440 2.089 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H]1CCCN1CCOC)c1ccccc1 ZINC001481072228 1079150483 /nfs/dbraw/zinc/15/04/83/1079150483.db2.gz SSWKYKXCXSMBDQ-IRXDYDNUSA-N 0 3 302.418 2.183 20 30 DEEDHN C=CCC[C@H](C(=O)NC[C@H]1CCCN1CCO)c1ccccc1 ZINC001481073948 1079152946 /nfs/dbraw/zinc/15/29/46/1079152946.db2.gz WZGBLXWNELONHL-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC001481097192 1079179852 /nfs/dbraw/zinc/17/98/52/1079179852.db2.gz XZUUDGNJYIBNNG-STQMWFEESA-N 0 3 322.371 2.094 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC001481097190 1079180310 /nfs/dbraw/zinc/18/03/10/1079180310.db2.gz XZUUDGNJYIBNNG-OLZOCXBDSA-N 0 3 322.371 2.094 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCc2ccc(OCC)cc2)C1 ZINC001481100778 1079183840 /nfs/dbraw/zinc/18/38/40/1079183840.db2.gz YPGZVRSUWHUSGF-QGZVFWFLSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C[C@H](C)c1ccncc1 ZINC001481139756 1079247610 /nfs/dbraw/zinc/24/76/10/1079247610.db2.gz MUWGLRGHEBBRGR-INIZCTEOSA-N 0 3 301.434 2.427 20 30 DEEDHN COCc1cccc(CN2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)c1 ZINC001484035973 1079258240 /nfs/dbraw/zinc/25/82/40/1079258240.db2.gz BYVHSOKNYLGPKR-KSSFIOAISA-N 0 3 315.417 2.073 20 30 DEEDHN C#CCN(CCC)CCNC(=O)COc1cccc(Cl)c1 ZINC001481153194 1079261382 /nfs/dbraw/zinc/26/13/82/1079261382.db2.gz WARHPJRPPNUGDN-UHFFFAOYSA-N 0 3 308.809 2.180 20 30 DEEDHN C[C@H](C#N)C(=O)NCCN(CCOC1CCCCCC1)C1CC1 ZINC001481163324 1079274655 /nfs/dbraw/zinc/27/46/55/1079274655.db2.gz STXDOSQWKCHAJU-OAHLLOKOSA-N 0 3 321.465 2.466 20 30 DEEDHN C=CCCC(=O)N1CC[C@@](C)(CN[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001484082941 1079298010 /nfs/dbraw/zinc/29/80/10/1079298010.db2.gz LXGYJYCGHBIKGH-GUYCJALGSA-N 0 3 319.453 2.223 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001646898124 1074679839 /nfs/dbraw/zinc/67/98/39/1074679839.db2.gz KBUNQMLLDDYSLZ-IAQYHMDHSA-N 0 3 313.405 2.308 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)Cc2ccccc2OC)CC1 ZINC001484146274 1079323471 /nfs/dbraw/zinc/32/34/71/1079323471.db2.gz ZSZVHGURAKXXNR-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CCN(CCNC(=O)c1n[nH]c2c1CCCCC2)C1CC1 ZINC001481196452 1079324201 /nfs/dbraw/zinc/32/42/01/1079324201.db2.gz GOPGVPSZBOTDJI-UHFFFAOYSA-N 0 3 302.422 2.059 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001484159590 1079334554 /nfs/dbraw/zinc/33/45/54/1079334554.db2.gz VXHMEWIDMVBKTG-KDOFPFPSSA-N 0 3 316.449 2.234 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCc2cncs2)C1 ZINC001484167028 1079340682 /nfs/dbraw/zinc/34/06/82/1079340682.db2.gz AGBFELQDRBNDMM-KRWDZBQOSA-N 0 3 319.474 2.317 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001566676886 1074976361 /nfs/dbraw/zinc/97/63/61/1074976361.db2.gz VQXDOKLGHIDSMH-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001566689406 1074978889 /nfs/dbraw/zinc/97/88/89/1074978889.db2.gz MYPIOTOJBMAAFI-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001566707886 1074981613 /nfs/dbraw/zinc/98/16/13/1074981613.db2.gz NCQMEHSQDTTZQT-RISCZKNCSA-N 0 3 321.248 2.117 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNCc2ccn(C)n2)C1 ZINC001566894163 1075006200 /nfs/dbraw/zinc/00/62/00/1075006200.db2.gz WOZDVJIUSTWTOU-HNNXBMFYSA-N 0 3 304.438 2.105 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCn2cccc2)C1 ZINC001484176676 1079346486 /nfs/dbraw/zinc/34/64/86/1079346486.db2.gz YAMFKSUAFIJYBH-SFHVURJKSA-N 0 3 301.434 2.120 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc3nccn3c2)C1 ZINC001484175062 1079347121 /nfs/dbraw/zinc/34/71/21/1079347121.db2.gz SYUVHUIFELBZPY-LJQANCHMSA-N 0 3 324.428 2.190 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1c(F)cccc1Cl ZINC001567431455 1075022831 /nfs/dbraw/zinc/02/28/31/1075022831.db2.gz FWYGBPRMIXGPKR-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C(=O)OCC)c(C)[nH]1 ZINC001556467072 1075032430 /nfs/dbraw/zinc/03/24/30/1075032430.db2.gz YKFGCOVRRXODGG-UHFFFAOYSA-N 0 3 321.421 2.080 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H](F)C(C)C)C1 ZINC001484199491 1079356494 /nfs/dbraw/zinc/35/64/94/1079356494.db2.gz WUBCLZZRSUCVST-QWHCGFSZSA-N 0 3 304.356 2.077 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001484244904 1079366689 /nfs/dbraw/zinc/36/66/89/1079366689.db2.gz LQTCUDFYJRGMCE-KDOFPFPSSA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2cccc(Cl)c2C)C1 ZINC001484219276 1079361922 /nfs/dbraw/zinc/36/19/22/1079361922.db2.gz AGUFRWJUAIXYFO-MRXNPFEDSA-N 0 3 308.809 2.001 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCc3cccc(C)c3)C2)C1 ZINC001565498877 1075179579 /nfs/dbraw/zinc/17/95/79/1075179579.db2.gz GBIUCJVIKYUGEX-UHFFFAOYSA-N 0 3 310.441 2.485 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1ccc(OC)cc1 ZINC001565832821 1075192992 /nfs/dbraw/zinc/19/29/92/1075192992.db2.gz GZEDQDNUYOPTNT-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnn(C)c1 ZINC001565931768 1075207234 /nfs/dbraw/zinc/20/72/34/1075207234.db2.gz VZVSRURRWCHFHB-SWLSCSKDSA-N 0 3 324.856 2.393 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCOCC)C(C)(C)[C@@H]21 ZINC001565993659 1075213716 /nfs/dbraw/zinc/21/37/16/1075213716.db2.gz VMHSXQUCHOKPIC-DJIMGWMZSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001566064166 1075222574 /nfs/dbraw/zinc/22/25/74/1075222574.db2.gz GKGBMICIFIKUMD-FVQHAEBGSA-N 0 3 308.466 2.099 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C12CCC(CC1)CC2 ZINC001566518741 1075268338 /nfs/dbraw/zinc/26/83/38/1075268338.db2.gz JUQYMHCKFQIAHX-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1ccc(OC)cc1C)C1CC1 ZINC001566588618 1075290399 /nfs/dbraw/zinc/29/03/99/1075290399.db2.gz WFYGGUNQWXJGTH-UHFFFAOYSA-N 0 3 314.429 2.150 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(F)(F)C(F)F)C1 ZINC001566825959 1075354702 /nfs/dbraw/zinc/35/47/02/1075354702.db2.gz CHSHFVHCARIJCF-RYUDHWBXSA-N 0 3 320.330 2.223 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)c1 ZINC001566838042 1075357817 /nfs/dbraw/zinc/35/78/17/1075357817.db2.gz CCFUZIJEXTUUNJ-IYBDPMFKSA-N 0 3 300.377 2.284 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CCC(=C)C ZINC001566939851 1075393522 /nfs/dbraw/zinc/39/35/22/1075393522.db2.gz OXGKOPINXCKFCY-CVEARBPZSA-N 0 3 321.465 2.004 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2(C)CC2)C1 ZINC001566962918 1075402250 /nfs/dbraw/zinc/40/22/50/1075402250.db2.gz NMJSBNUGQIFEJL-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](CNC(=O)/C=C\c1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001567011789 1075415887 /nfs/dbraw/zinc/41/58/87/1075415887.db2.gz LYPCAWVPYQVAJH-KMSCOEIWSA-N 0 3 314.414 2.256 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccc2ccccc2c1 ZINC001567072023 1075427035 /nfs/dbraw/zinc/42/70/35/1075427035.db2.gz BSVDDOOYMVEYFX-OAHLLOKOSA-N 0 3 310.397 2.198 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccc(CC(C)C)cc1 ZINC001567076381 1075427702 /nfs/dbraw/zinc/42/77/02/1075427702.db2.gz FGDAKKJRFFQMJB-MRXNPFEDSA-N 0 3 316.445 2.243 20 30 DEEDHN CC(C)CO[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001481212282 1079404177 /nfs/dbraw/zinc/40/41/77/1079404177.db2.gz XRBXFPZKUNQXAT-ZDUSSCGKSA-N 0 3 323.462 2.229 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001567100234 1075432114 /nfs/dbraw/zinc/43/21/14/1075432114.db2.gz KWWKTOIKCREKDO-ZDUSSCGKSA-N 0 3 315.417 2.017 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001567279410 1075486761 /nfs/dbraw/zinc/48/67/61/1075486761.db2.gz USVZPARALRJQJP-GUYCJALGSA-N 0 3 308.397 2.262 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN[C@H](C)c1ccccc1Cl ZINC001481229297 1079437753 /nfs/dbraw/zinc/43/77/53/1079437753.db2.gz QNTFPOARHRXHOA-ZIAGYGMSSA-N 0 3 322.836 2.487 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN[C@H](C)c1ccccc1Cl ZINC001481229295 1079437865 /nfs/dbraw/zinc/43/78/65/1079437865.db2.gz QNTFPOARHRXHOA-KGLIPLIRSA-N 0 3 322.836 2.487 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1csc(C(F)(F)F)c1 ZINC001481251101 1079476050 /nfs/dbraw/zinc/47/60/50/1079476050.db2.gz DDXSABCIPFPYDZ-UHFFFAOYSA-N 0 3 304.337 2.452 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(CC(=C)C)C2)CCOCC1 ZINC001267776373 1079487800 /nfs/dbraw/zinc/48/78/00/1079487800.db2.gz JYEGZXHPQPYLFI-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)COc2ccccc2OC)C1 ZINC001267777955 1079489392 /nfs/dbraw/zinc/48/93/92/1079489392.db2.gz UAUGGBLZEDEMNF-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001580966590 1076025546 /nfs/dbraw/zinc/02/55/46/1076025546.db2.gz DKZVIWZFUOWJEQ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001580966585 1076026120 /nfs/dbraw/zinc/02/61/20/1076026120.db2.gz DKZVIWZFUOWJEQ-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588336448 1076441740 /nfs/dbraw/zinc/44/17/40/1076441740.db2.gz ALPPMOYYMVHIGF-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001588336448 1076441744 /nfs/dbraw/zinc/44/17/44/1076441744.db2.gz ALPPMOYYMVHIGF-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(-c3nn[n-]n3)c2)C1 ZINC001588336448 1076441747 /nfs/dbraw/zinc/44/17/47/1076441747.db2.gz ALPPMOYYMVHIGF-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(-c3nn[n-]n3)c2)C1 ZINC001588336448 1076441750 /nfs/dbraw/zinc/44/17/50/1076441750.db2.gz ALPPMOYYMVHIGF-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C=CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001588539315 1076452634 /nfs/dbraw/zinc/45/26/34/1076452634.db2.gz GPPINLAMGKTXCE-GFCCVEGCSA-N 0 3 316.384 2.092 20 30 DEEDHN C=CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588539315 1076452636 /nfs/dbraw/zinc/45/26/36/1076452636.db2.gz GPPINLAMGKTXCE-GFCCVEGCSA-N 0 3 316.384 2.092 20 30 DEEDHN CC[N@H+](CCOCCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590715619 1076670022 /nfs/dbraw/zinc/67/00/22/1076670022.db2.gz MLLWHVYIDHBUDK-ZDUSSCGKSA-N 0 3 314.393 2.180 20 30 DEEDHN CC[N@@H+](CCOCCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590715619 1076670024 /nfs/dbraw/zinc/67/00/24/1076670024.db2.gz MLLWHVYIDHBUDK-ZDUSSCGKSA-N 0 3 314.393 2.180 20 30 DEEDHN CC[N@H+](CCOCCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590715619 1076670028 /nfs/dbraw/zinc/67/00/28/1076670028.db2.gz MLLWHVYIDHBUDK-ZDUSSCGKSA-N 0 3 314.393 2.180 20 30 DEEDHN CC[N@@H+](CCOCCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590715619 1076670032 /nfs/dbraw/zinc/67/00/32/1076670032.db2.gz MLLWHVYIDHBUDK-ZDUSSCGKSA-N 0 3 314.393 2.180 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001598461021 1077112507 /nfs/dbraw/zinc/11/25/07/1077112507.db2.gz AZQIIYHJRUILCQ-CQSZACIVSA-N 0 3 312.454 2.321 20 30 DEEDHN CC[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001609190939 1077791947 /nfs/dbraw/zinc/79/19/47/1077791947.db2.gz ZYVODUIRSJXTTF-ZDUSSCGKSA-N 0 3 311.393 2.025 20 30 DEEDHN CC[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001609190939 1077791951 /nfs/dbraw/zinc/79/19/51/1077791951.db2.gz ZYVODUIRSJXTTF-ZDUSSCGKSA-N 0 3 311.393 2.025 20 30 DEEDHN CC[NH+](CC)CCSc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609223349 1077807853 /nfs/dbraw/zinc/80/78/53/1077807853.db2.gz JNTHSZJDYGESCN-UHFFFAOYSA-N 0 3 302.407 2.172 20 30 DEEDHN CC[NH+](CC)CCSc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609223349 1077807858 /nfs/dbraw/zinc/80/78/58/1077807858.db2.gz JNTHSZJDYGESCN-UHFFFAOYSA-N 0 3 302.407 2.172 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(CNCc2cccc(Cl)n2)CCCC1 ZINC001267834230 1079524843 /nfs/dbraw/zinc/52/48/43/1079524843.db2.gz SWVUFMMYYYPRQG-LBPRGKRZSA-N 0 3 320.824 2.413 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](CCC)OC)C2)CC1 ZINC001484324706 1079540115 /nfs/dbraw/zinc/54/01/15/1079540115.db2.gz QTSZCNHXHXFJKY-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@H](C)C#N)CC1 ZINC001484400917 1079591879 /nfs/dbraw/zinc/59/18/79/1079591879.db2.gz HKSGNIZTGBPKNG-OAHLLOKOSA-N 0 3 312.417 2.220 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@](C)(CC(C)C)C(=O)OCC ZINC001650408654 1079598003 /nfs/dbraw/zinc/59/80/03/1079598003.db2.gz SHKLQUPFCJFSSA-SWLSCSKDSA-N 0 3 318.845 2.188 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@](C)(CC(C)C)C(=O)OCC ZINC001650408656 1079598079 /nfs/dbraw/zinc/59/80/79/1079598079.db2.gz SHKLQUPFCJFSSA-WFASDCNBSA-N 0 3 318.845 2.188 20 30 DEEDHN O=C(C#CC1CC1)NCCC1CCN(Cc2cccnc2)CC1 ZINC001267943694 1079623638 /nfs/dbraw/zinc/62/36/38/1079623638.db2.gz YNPGTVQJKUUZIM-UHFFFAOYSA-N 0 3 311.429 2.213 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)c1ccc(C2CCC2)cc1 ZINC001484483963 1079625821 /nfs/dbraw/zinc/62/58/21/1079625821.db2.gz HNBUKNGINXKNEM-UHFFFAOYSA-N 0 3 314.429 2.002 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CO[C@@H](C)CC)C1 ZINC001484515645 1079638719 /nfs/dbraw/zinc/63/87/19/1079638719.db2.gz IOEFMKCNOUHVJP-UONOGXRCSA-N 0 3 302.846 2.382 20 30 DEEDHN COCC#CCN[C@H](C)c1ccc(CNC(=O)C2CCC2)cc1 ZINC001484556845 1079658972 /nfs/dbraw/zinc/65/89/72/1079658972.db2.gz KVBZHWILMMNADV-OAHLLOKOSA-N 0 3 314.429 2.403 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)/C=C\c1ccc[nH]1 ZINC001267979268 1079661837 /nfs/dbraw/zinc/66/18/37/1079661837.db2.gz KUDBVYBAYOYPTN-WHLNPGIBSA-N 0 3 322.412 2.442 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@]1(F)CCOC1 ZINC001484556213 1079662406 /nfs/dbraw/zinc/66/24/06/1079662406.db2.gz NJLXKUBMBDBNIE-SFHVURJKSA-N 0 3 320.408 2.439 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)CNCc1cc2n(n1)CCCC2 ZINC001267988741 1079669919 /nfs/dbraw/zinc/66/99/19/1079669919.db2.gz YQTGSQDODXLEBT-OAHLLOKOSA-N 0 3 318.465 2.418 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@@H](C)CC(C)(C)C)CCO1 ZINC001484690804 1079724860 /nfs/dbraw/zinc/72/48/60/1079724860.db2.gz QWBVGKHOJJPOHO-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CC[C@@H](N(CCC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001481404059 1079793465 /nfs/dbraw/zinc/79/34/65/1079793465.db2.gz JBXIDZIUPHFJTG-OAHLLOKOSA-N 0 3 304.438 2.475 20 30 DEEDHN CCC1(NCc2nc(C)oc2C)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001484810295 1079803322 /nfs/dbraw/zinc/80/33/22/1079803322.db2.gz SIMYGCFIPSZVCC-GFCCVEGCSA-N 0 3 318.421 2.312 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H](CC)CCCC)C1 ZINC001484831927 1079820473 /nfs/dbraw/zinc/82/04/73/1079820473.db2.gz GSFFEWVEHFANBR-AEFFLSMTSA-N 0 3 308.466 2.169 20 30 DEEDHN C=CCOCC(=O)NCc1ccc2c(c1)CN(CC(C)C)C2 ZINC001484872725 1079830043 /nfs/dbraw/zinc/83/00/43/1079830043.db2.gz BMFULIQGBLGYLH-UHFFFAOYSA-N 0 3 302.418 2.477 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1NCC#Cc1ccccc1 ZINC001484878097 1079834378 /nfs/dbraw/zinc/83/43/78/1079834378.db2.gz OFYWRDXSEACFCM-LPHOPBHVSA-N 0 3 319.408 2.183 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481447823 1079867120 /nfs/dbraw/zinc/86/71/20/1079867120.db2.gz UNNRWRXEHXRRGK-MAUKXSAKSA-N 0 3 318.465 2.351 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccc(C)cc2)C[C@H]1C ZINC001484985753 1079898824 /nfs/dbraw/zinc/89/88/24/1079898824.db2.gz KLQMOFSPHJKFGJ-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)C2(C)CCC2)CC1 ZINC001485009120 1079914629 /nfs/dbraw/zinc/91/46/29/1079914629.db2.gz JESUSESPOHLSND-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](C)O ZINC001485042714 1079926747 /nfs/dbraw/zinc/92/67/47/1079926747.db2.gz AVCLZJPIVUHYBV-MZMPZRCHSA-N 0 3 302.418 2.095 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CN(C)Cc2oc(C)nc2C)C1 ZINC001481483600 1079940240 /nfs/dbraw/zinc/94/02/40/1079940240.db2.gz DHZKTCUEDOGIRU-INIZCTEOSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001485071991 1079956377 /nfs/dbraw/zinc/95/63/77/1079956377.db2.gz AQWZJWAOAKJFEB-SNVBAGLBSA-N 0 3 316.327 2.151 20 30 DEEDHN Cc1nc(CNCC2CC(NC(=O)C#CC3CC3)C2)sc1C ZINC001485091511 1079969368 /nfs/dbraw/zinc/96/93/68/1079969368.db2.gz BTLWBSGZFKADJT-UHFFFAOYSA-N 0 3 317.458 2.158 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)CCOC1CCOCC1 ZINC001654611520 1079972984 /nfs/dbraw/zinc/97/29/84/1079972984.db2.gz FSGFEAJTUCYYDC-UHFFFAOYSA-N 0 3 318.417 2.202 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H]2CCN2C[C@H]2CCOC2)CCC1 ZINC001656089794 1080039086 /nfs/dbraw/zinc/03/90/86/1080039086.db2.gz WWAVUZVRIGSJID-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)nc1 ZINC001485182210 1080041145 /nfs/dbraw/zinc/04/11/45/1080041145.db2.gz SGNYYQFHTBMZQR-CHWSQXEVSA-N 0 3 305.422 2.285 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1sccc1C1CC1 ZINC001268096941 1080069952 /nfs/dbraw/zinc/06/99/52/1080069952.db2.gz WPZTYPLZPNJHLW-ZDUSSCGKSA-N 0 3 320.458 2.325 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001351596720 1151583250 /nfs/dbraw/zinc/58/32/50/1151583250.db2.gz MFPJENIRSYWRPU-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485280060 1080106681 /nfs/dbraw/zinc/10/66/81/1080106681.db2.gz DBAOHPBGHWFANY-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001656860309 1080130160 /nfs/dbraw/zinc/13/01/60/1080130160.db2.gz VDIUPZRYOIDLAO-JKSUJKDBSA-N 0 3 308.466 2.099 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cc(C)c(CC)s1 ZINC001656873391 1080131662 /nfs/dbraw/zinc/13/16/62/1080131662.db2.gz DCBLLJGCWOFQRT-UHFFFAOYSA-N 0 3 322.474 2.273 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCCC[C@H](NCC(=O)NCC)C1 ZINC001656889474 1080134887 /nfs/dbraw/zinc/13/48/87/1080134887.db2.gz KCJBHXMFGOTDOJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1cncs1 ZINC001657055983 1080149102 /nfs/dbraw/zinc/14/91/02/1080149102.db2.gz KLXYCWZOEWGRBX-AWEZNQCLSA-N 0 3 323.462 2.272 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cn(CC(F)F)nc1C ZINC001268241458 1080223161 /nfs/dbraw/zinc/22/31/61/1080223161.db2.gz OJZUSACBKQMMAV-UHFFFAOYSA-N 0 3 314.380 2.037 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CCCC)CN[C@@H]1CCN(C)C1=O ZINC001485468814 1080224710 /nfs/dbraw/zinc/22/47/10/1080224710.db2.gz OKHQLUFIHYBAMA-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](OC)C1CCCC1 ZINC001481667676 1080277407 /nfs/dbraw/zinc/27/74/07/1080277407.db2.gz IXLZUNWOSKTJMW-YESZJQIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCCN([O-])C1=O ZINC001660167860 1080280387 /nfs/dbraw/zinc/28/03/87/1080280387.db2.gz VMZHKBBTAZCSBX-CXAGYDPISA-N 0 3 302.418 2.466 20 30 DEEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(=O)CC ZINC001481670835 1080282115 /nfs/dbraw/zinc/28/21/15/1080282115.db2.gz LAEOWEXESTTXPL-JYJNAYRXSA-N 0 3 323.481 2.157 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)Cc2ccc(C)s2)C1 ZINC001485539804 1080286385 /nfs/dbraw/zinc/28/63/85/1080286385.db2.gz NPKPELWTQXQNLQ-AWEZNQCLSA-N 0 3 322.474 2.238 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](OC)C(F)(F)F ZINC001481682297 1080291819 /nfs/dbraw/zinc/29/18/19/1080291819.db2.gz XMXZZVQLVHLYSB-AVGNSLFASA-N 0 3 320.355 2.205 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001481691213 1080304005 /nfs/dbraw/zinc/30/40/05/1080304005.db2.gz RPRBCWBNPUIFLK-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001485602277 1080323783 /nfs/dbraw/zinc/32/37/83/1080323783.db2.gz CJQYYWPGOWLDNF-TUVASFSCSA-N 0 3 310.388 2.129 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC001481705133 1080328325 /nfs/dbraw/zinc/32/83/25/1080328325.db2.gz ANXISYCUSUYNQV-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001485619554 1080328425 /nfs/dbraw/zinc/32/84/25/1080328425.db2.gz JWIOASMSSZNPBP-DZUCGIPZSA-N 0 3 314.404 2.247 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC001481705132 1080328578 /nfs/dbraw/zinc/32/85/78/1080328578.db2.gz ANXISYCUSUYNQV-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=O)N(C)CC ZINC001660442105 1080333244 /nfs/dbraw/zinc/33/32/44/1080333244.db2.gz XWIKZGOMRPUPLC-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1cccc(CN2CC[C@@H](N(C)C(=O)CSCC#N)C2)c1 ZINC001481714546 1080352209 /nfs/dbraw/zinc/35/22/09/1080352209.db2.gz UKOMGUFURDDACU-MRXNPFEDSA-N 0 3 317.458 2.285 20 30 DEEDHN C#CCN(CCCNC(=O)COC1CCC(C)CC1)C1CC1 ZINC001660756963 1080391630 /nfs/dbraw/zinc/39/16/30/1080391630.db2.gz BCXWXVZSZUPYFM-UHFFFAOYSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)CCC(F)F)CC1 ZINC001660780351 1080395861 /nfs/dbraw/zinc/39/58/61/1080395861.db2.gz PGZXWOHKQXOOOA-UHFFFAOYSA-N 0 3 304.381 2.157 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC001660855957 1080409278 /nfs/dbraw/zinc/40/92/78/1080409278.db2.gz XONMMHXPDGPVRN-MRXNPFEDSA-N 0 3 300.402 2.059 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ccc(OC)nn1 ZINC001268389872 1080410142 /nfs/dbraw/zinc/41/01/42/1080410142.db2.gz SVNWMLYCAQGWFY-CYBMUJFWSA-N 0 3 320.437 2.072 20 30 DEEDHN CCc1nc(CN[C@H](CCNC(=O)[C@H](C)C#N)C(C)C)cs1 ZINC001485782692 1080430933 /nfs/dbraw/zinc/43/09/33/1080430933.db2.gz YOTXXEFSPIIOJB-TZMCWYRMSA-N 0 3 322.478 2.486 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](NCC#Cc2ccccc2)C2CC2)on1 ZINC001661107951 1080442426 /nfs/dbraw/zinc/44/24/26/1080442426.db2.gz YWRQBDPMANEFKD-KRWDZBQOSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(CC)c[nH]c1=O ZINC001268411535 1080443621 /nfs/dbraw/zinc/44/36/21/1080443621.db2.gz NUEFOWOGUMQUNL-NSHDSACASA-N 0 3 311.813 2.200 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001481756949 1080447563 /nfs/dbraw/zinc/44/75/63/1080447563.db2.gz IZBQETBXVPNESP-MRXNPFEDSA-N 0 3 317.433 2.129 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1cncc(F)c1)C1CC1 ZINC001661157720 1080450362 /nfs/dbraw/zinc/45/03/62/1080450362.db2.gz WFKBWPCGFAQARN-HNNXBMFYSA-N 0 3 305.397 2.417 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](CNCc1ccnn1C)C1CC1 ZINC001485811251 1080456895 /nfs/dbraw/zinc/45/68/95/1080456895.db2.gz OWXCCVAFYBXMAV-INIZCTEOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccccc1OC ZINC001268427273 1080458892 /nfs/dbraw/zinc/45/88/92/1080458892.db2.gz YKMAQWQMYPFDMA-CYBMUJFWSA-N 0 3 310.825 2.475 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3cnoc3)C2)C1=O ZINC001272709837 1080467851 /nfs/dbraw/zinc/46/78/51/1080467851.db2.gz LSJZJUAPPLFFHH-SFHVURJKSA-N 0 3 309.369 2.351 20 30 DEEDHN CCN(CCNCc1ccnc(OC)c1)C(=O)C#CC(C)(C)C ZINC001268448832 1080474393 /nfs/dbraw/zinc/47/43/93/1080474393.db2.gz CELYFLCPOSZHRB-UHFFFAOYSA-N 0 3 317.433 2.078 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001661399324 1080477556 /nfs/dbraw/zinc/47/75/56/1080477556.db2.gz IINWBJOHEOVSGH-HDJSIYSDSA-N 0 3 303.362 2.298 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001481779009 1080493579 /nfs/dbraw/zinc/49/35/79/1080493579.db2.gz YVEDFUKGZFHIQE-CZUORRHYSA-N 0 3 316.449 2.076 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](NCc2cnoc2C)C1)OCC ZINC001661605555 1080498346 /nfs/dbraw/zinc/49/83/46/1080498346.db2.gz UAUYQWLYXSGMKQ-XHSDSOJGSA-N 0 3 321.421 2.091 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001661604978 1080498564 /nfs/dbraw/zinc/49/85/64/1080498564.db2.gz FVDGTRCUOVCFJP-RTXFEEFZSA-N 0 3 305.426 2.013 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2oc(C)nc2C)C1 ZINC001661641291 1080502623 /nfs/dbraw/zinc/50/26/23/1080502623.db2.gz ZEULCBFSVYGBOJ-GASCZTMLSA-N 0 3 303.406 2.222 20 30 DEEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1ccc(Cl)nc1 ZINC001481811367 1080523909 /nfs/dbraw/zinc/52/39/09/1080523909.db2.gz QUONMMCGZHOASN-CQSZACIVSA-N 0 3 305.809 2.133 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001661814513 1080526884 /nfs/dbraw/zinc/52/68/84/1080526884.db2.gz OJCTZFOPVDDJMV-UKRRQHHQSA-N 0 3 319.453 2.359 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001661972328 1080551848 /nfs/dbraw/zinc/55/18/48/1080551848.db2.gz SPTSGGFEKMGFCK-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCc2ccco2)C1 ZINC001661981803 1080554068 /nfs/dbraw/zinc/55/40/68/1080554068.db2.gz BFRYSQOSFINEIY-HZPDHXFCSA-N 0 3 302.418 2.452 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001661989107 1080556913 /nfs/dbraw/zinc/55/69/13/1080556913.db2.gz JCIDGQUHNIVTDK-AEFFLSMTSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCc2ccoc2)C1 ZINC001661989553 1080558127 /nfs/dbraw/zinc/55/81/27/1080558127.db2.gz OXLFMAQJGDLVMP-RDJZCZTQSA-N 0 3 302.418 2.452 20 30 DEEDHN Cc1nc(C)c(CNCC2(NC(=O)C#CC(C)C)CCCC2)o1 ZINC001481896555 1080588490 /nfs/dbraw/zinc/58/84/90/1080588490.db2.gz UXNVPVRXKHMYQW-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001662691306 1080636368 /nfs/dbraw/zinc/63/63/68/1080636368.db2.gz SJPMNJWMMDCUNR-HNNXBMFYSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001662754031 1080648360 /nfs/dbraw/zinc/64/83/60/1080648360.db2.gz XQAIDWUHWLEQHN-CABCVRRESA-N 0 3 303.406 2.304 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001662754032 1080648699 /nfs/dbraw/zinc/64/86/99/1080648699.db2.gz XQAIDWUHWLEQHN-GJZGRUSLSA-N 0 3 303.406 2.304 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CCNCc2cc(C)ncn2)C1 ZINC001481969277 1080657780 /nfs/dbraw/zinc/65/77/80/1080657780.db2.gz FMLMRIVZMYQAEP-MRXNPFEDSA-N 0 3 316.449 2.470 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](CCNCc2ccc(F)cn2)C1 ZINC001481971899 1080660478 /nfs/dbraw/zinc/66/04/78/1080660478.db2.gz JIXYFPUBNLFVIW-KGLIPLIRSA-N 0 3 318.396 2.099 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001663067021 1080694497 /nfs/dbraw/zinc/69/44/97/1080694497.db2.gz OYXFKIDBVYESNU-DZKIICNBSA-N 0 3 312.841 2.136 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001663067022 1080695784 /nfs/dbraw/zinc/69/57/84/1080695784.db2.gz OYXFKIDBVYESNU-LZWOXQAQSA-N 0 3 312.841 2.136 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)c2ccc(F)nc2)c1 ZINC001268518617 1080707631 /nfs/dbraw/zinc/70/76/31/1080707631.db2.gz JFLOANLCUFFSES-UPHRSURJSA-N 0 3 324.359 2.168 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@]2(C)CCCOC2)cc1 ZINC001482032921 1080714165 /nfs/dbraw/zinc/71/41/65/1080714165.db2.gz AJRFFCQHMUPBMJ-IBGZPJMESA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cnn(CC)c2C)cc1 ZINC001482033634 1080717691 /nfs/dbraw/zinc/71/76/91/1080717691.db2.gz MKSFXMVCNQPIPY-UHFFFAOYSA-N 0 3 324.428 2.254 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)CC1CC(F)(F)C1 ZINC001663508749 1080761365 /nfs/dbraw/zinc/76/13/65/1080761365.db2.gz SPUQBJIGSWSWSS-AWEZNQCLSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1CCc1cnn(CC)c1 ZINC001663518679 1080764820 /nfs/dbraw/zinc/76/48/20/1080764820.db2.gz JSGAVGDEBOAWEV-MRXNPFEDSA-N 0 3 318.465 2.238 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001663668130 1080800996 /nfs/dbraw/zinc/80/09/96/1080800996.db2.gz LHKFHVICSXPVQL-UHFFFAOYSA-N 0 3 312.417 2.108 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)c1c(C)noc1C ZINC001663688131 1080803989 /nfs/dbraw/zinc/80/39/89/1080803989.db2.gz LFJXSHBXFFGARF-ZDUSSCGKSA-N 0 3 305.422 2.246 20 30 DEEDHN C=CCN(CCNC(=O)[C@H](C)Oc1cccc(F)c1)C1CC1 ZINC001663726963 1080807281 /nfs/dbraw/zinc/80/72/81/1080807281.db2.gz GUDFHONUHLCICO-ZDUSSCGKSA-N 0 3 306.381 2.360 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)CNCc1cc(C)n(C)n1 ZINC001482106189 1080808765 /nfs/dbraw/zinc/80/87/65/1080808765.db2.gz WZZRYCORGAASPR-ZDUSSCGKSA-N 0 3 306.454 2.173 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(CCC)[nH]c(=O)c1)C1CC1 ZINC001663761521 1080812930 /nfs/dbraw/zinc/81/29/30/1080812930.db2.gz TYQSOHRGWZPUJC-UHFFFAOYSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN(CCNC(=O)c1ccnc(OC2CCC2)c1)C1CC1 ZINC001663762978 1080814321 /nfs/dbraw/zinc/81/43/21/1080814321.db2.gz IHOMUWLGIBZTPL-UHFFFAOYSA-N 0 3 315.417 2.393 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNCc2oc(C)nc2C)C1 ZINC001482140225 1080856993 /nfs/dbraw/zinc/85/69/93/1080856993.db2.gz LGCLRSHHIZIMOT-LBPRGKRZSA-N 0 3 305.422 2.490 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001482147770 1080859167 /nfs/dbraw/zinc/85/91/67/1080859167.db2.gz BGFDEKVZWBAKBO-DOPJRALCSA-N 0 3 311.429 2.446 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CN[C@@H](C)c1nnc(C)[nH]1 ZINC001482147202 1080859457 /nfs/dbraw/zinc/85/94/57/1080859457.db2.gz XGBZWEDDERFDQW-NEPJUHHUSA-N 0 3 307.442 2.118 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccc(F)c2occc21 ZINC001268627423 1080903330 /nfs/dbraw/zinc/90/33/30/1080903330.db2.gz HKKFLLHNUVCPHH-SNAWJCMRSA-N 0 3 300.333 2.471 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CNCc1sccc1Cl ZINC001268643845 1080912994 /nfs/dbraw/zinc/91/29/94/1080912994.db2.gz DSSIZBKMEMPHQZ-QMTHXVAHSA-N 0 3 316.854 2.323 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](NC[C@H](C)O)c1ccccc1 ZINC001664593313 1080930751 /nfs/dbraw/zinc/93/07/51/1080930751.db2.gz VYCYJZIXPVODSL-HOCLYGCPSA-N 0 3 304.434 2.417 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cc(CC)n(C)n1)c1ccccc1 ZINC001664603769 1080931800 /nfs/dbraw/zinc/93/18/00/1080931800.db2.gz DFRWMRWKEBFLOR-KRWDZBQOSA-N 0 3 312.417 2.229 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001664683434 1080940173 /nfs/dbraw/zinc/94/01/73/1080940173.db2.gz IPZOLLKULRWYKS-IAGOWNOFSA-N 0 3 316.449 2.170 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001664700102 1080944741 /nfs/dbraw/zinc/94/47/41/1080944741.db2.gz FTAJCRRGQZCKBS-BJIFSAINSA-N 0 3 306.450 2.067 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)ccn1 ZINC001268709919 1080945799 /nfs/dbraw/zinc/94/57/99/1080945799.db2.gz WPXGCWDLWAGSIJ-INIZCTEOSA-N 0 3 307.397 2.150 20 30 DEEDHN COCc1cccc(CN(C)C[C@@H](C)NC(=O)C#CC(C)C)c1 ZINC001268728799 1080956894 /nfs/dbraw/zinc/95/68/94/1080956894.db2.gz AFZMPCHCSUYRFD-MRXNPFEDSA-N 0 3 316.445 2.429 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001268731257 1080957379 /nfs/dbraw/zinc/95/73/79/1080957379.db2.gz VKVWEKLCSRILKO-HNNXBMFYSA-N 0 3 320.408 2.111 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001664781595 1080959695 /nfs/dbraw/zinc/95/96/95/1080959695.db2.gz SXLVUVCFYLBHHG-IYARVYRRSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(OC)c(OC)cc1C ZINC001268758527 1080970747 /nfs/dbraw/zinc/97/07/47/1080970747.db2.gz WVTBWUIZOMMMKV-ZDUSSCGKSA-N 0 3 306.406 2.248 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001665392467 1081022317 /nfs/dbraw/zinc/02/23/17/1081022317.db2.gz OLTMZJMNFAZLAV-SOUVJXGZSA-N 0 3 314.433 2.081 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCOC1 ZINC001268947613 1081060406 /nfs/dbraw/zinc/06/04/06/1081060406.db2.gz WBAYLZKPPQTDQF-PMPSAXMXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001665715066 1081068560 /nfs/dbraw/zinc/06/85/60/1081068560.db2.gz LVIAJPQZGYMMGW-NVXWUHKLSA-N 0 3 318.465 2.327 20 30 DEEDHN C=CC[C@@H](C)C(=O)N1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001268968096 1081069043 /nfs/dbraw/zinc/06/90/43/1081069043.db2.gz JXJAUNWQFVWZKN-CRAIPNDOSA-N 0 3 316.449 2.436 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CCN(CCn2cccn2)C1 ZINC001665726389 1081071919 /nfs/dbraw/zinc/07/19/19/1081071919.db2.gz OYQXHQUKUWAJRI-DLBZAZTESA-N 0 3 318.465 2.408 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001665760164 1081078122 /nfs/dbraw/zinc/07/81/22/1081078122.db2.gz NBRZHUSVYCZQJP-WMLDXEAASA-N 0 3 320.408 2.087 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@@H](OC)[C@H](C)CC)cc1 ZINC001666337470 1081144718 /nfs/dbraw/zinc/14/47/18/1081144718.db2.gz GOYZQAAKIHVLJC-PBHICJAKSA-N 0 3 302.418 2.087 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(OC)no2)[C@@H](CC)C1 ZINC001269162660 1081145894 /nfs/dbraw/zinc/14/58/94/1081145894.db2.gz JXXVBMVQCJNYJT-ZFWWWQNUSA-N 0 3 321.421 2.366 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001666371477 1081148950 /nfs/dbraw/zinc/14/89/50/1081148950.db2.gz XAHCOQUGDVUKSI-IEBWSBKVSA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@H]2CCN2CC2CC2)cc1 ZINC001269236268 1081179254 /nfs/dbraw/zinc/17/92/54/1081179254.db2.gz YZZMCMBQGLEYKU-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001269236081 1081179320 /nfs/dbraw/zinc/17/93/20/1081179320.db2.gz VIQRCPQHKQABET-INIZCTEOSA-N 0 3 316.449 2.454 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1c(OC)cccc1OC ZINC001269261132 1081187375 /nfs/dbraw/zinc/18/73/75/1081187375.db2.gz NUWCFUFQULFIOU-AWEZNQCLSA-N 0 3 318.417 2.013 20 30 DEEDHN COc1ccc(CNC[C@H](C)N(C)C(=O)C#CC(C)(C)C)cn1 ZINC001666899695 1081192205 /nfs/dbraw/zinc/19/22/05/1081192205.db2.gz ZFPXPTMLFINVCF-AWEZNQCLSA-N 0 3 317.433 2.076 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCC[C@H]1C ZINC001666914731 1081192784 /nfs/dbraw/zinc/19/27/84/1081192784.db2.gz WZCYGDGSTASSJW-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@@H](C)CN[C@H](C)c1n[nH]c(CC)n1 ZINC001666971445 1081199212 /nfs/dbraw/zinc/19/92/12/1081199212.db2.gz AZODJZWHAXCKBP-UONOGXRCSA-N 0 3 319.453 2.058 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)COc2cccc(CC)c2)C1 ZINC001269291093 1081200041 /nfs/dbraw/zinc/20/00/41/1081200041.db2.gz DEKKMEAGLMZIGO-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCC(=O)N(C)CC)CCCC1 ZINC001667064066 1081207167 /nfs/dbraw/zinc/20/71/67/1081207167.db2.gz UCQJWYMGNCXTPO-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001498926681 1081210586 /nfs/dbraw/zinc/21/05/86/1081210586.db2.gz HZKDGDDVSLYSBG-OAHLLOKOSA-N 0 3 309.479 2.404 20 30 DEEDHN CCc1onc(C)c1CNC1(CNC(=O)[C@H](C)C#N)CCCC1 ZINC001482213247 1081215413 /nfs/dbraw/zinc/21/54/13/1081215413.db2.gz IEEABTUJLQFXDI-GFCCVEGCSA-N 0 3 318.421 2.224 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001269332854 1081216299 /nfs/dbraw/zinc/21/62/99/1081216299.db2.gz RJRHRDXUDDCZFK-AWEZNQCLSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccn(C)n2)[C@@H](C)C1 ZINC001667174952 1081219862 /nfs/dbraw/zinc/21/98/62/1081219862.db2.gz FMXWTNTVANOMFM-HOCLYGCPSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCOC2CCOCC2)C1 ZINC001269347977 1081222732 /nfs/dbraw/zinc/22/27/32/1081222732.db2.gz GSOWWZQTEQXLGF-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1csc(CC)n1 ZINC001269352263 1081224747 /nfs/dbraw/zinc/22/47/47/1081224747.db2.gz TYDQULYOOWWNRF-CQSZACIVSA-N 0 3 307.463 2.405 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001269357266 1081226478 /nfs/dbraw/zinc/22/64/78/1081226478.db2.gz ZQQSSFYAHURYIJ-CJNGLKHVSA-N 0 3 318.465 2.297 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001269411726 1081242644 /nfs/dbraw/zinc/24/26/44/1081242644.db2.gz QTYIIXWXTIRXSW-ZDUSSCGKSA-N 0 3 320.820 2.117 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](CC)NCc2cn(C)nc2C)cc1 ZINC001269448570 1081251759 /nfs/dbraw/zinc/25/17/59/1081251759.db2.gz MIUSLCFCGZXEMH-GOSISDBHSA-N 0 3 324.428 2.008 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)CCN(C)Cc1ccccc1C ZINC001667557578 1081263665 /nfs/dbraw/zinc/26/36/65/1081263665.db2.gz YCTDJCSCLPLSCS-GOSISDBHSA-N 0 3 304.434 2.212 20 30 DEEDHN O=C(NC1(CNCC#Cc2ccccc2)CCCC1)c1ccon1 ZINC001269529066 1081279690 /nfs/dbraw/zinc/27/96/90/1081279690.db2.gz OZURZKXZALCZTO-UHFFFAOYSA-N 0 3 323.396 2.359 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H](C)c2ccc(OC)cc2)CC1 ZINC001269540470 1081284561 /nfs/dbraw/zinc/28/45/61/1081284561.db2.gz CJQVIPXTJGGZGV-HNNXBMFYSA-N 0 3 314.429 2.451 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](O)CNC/C=C/Cl)CCCCC1 ZINC001667939665 1081295689 /nfs/dbraw/zinc/29/56/89/1081295689.db2.gz ORQMTQKTJZWSPY-OAUONFCTSA-N 0 3 314.857 2.332 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nccc2cccnc21 ZINC001668092484 1081315390 /nfs/dbraw/zinc/31/53/90/1081315390.db2.gz SJBSGKPWXBUIFW-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2c(c1)OCCO2 ZINC001668309142 1081340293 /nfs/dbraw/zinc/34/02/93/1081340293.db2.gz DYJXKHODILBZPO-GFCCVEGCSA-N 0 3 324.808 2.308 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCNCC(=O)N(C)C(C)C)CC1 ZINC001668546774 1081365845 /nfs/dbraw/zinc/36/58/45/1081365845.db2.gz ZLOYBEIUZPVHHB-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)=CC(=O)NC/C=C\CNCc1ccc(F)c(C#N)c1 ZINC001668690818 1081382700 /nfs/dbraw/zinc/38/27/00/1081382700.db2.gz GPWUBHNGWKXPOU-ARJAWSKDSA-N 0 3 301.365 2.426 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC001668804419 1081399460 /nfs/dbraw/zinc/39/94/60/1081399460.db2.gz KZQAZGHBYHLPBD-LYZXZYLJSA-N 0 3 319.355 2.221 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C\CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001668848706 1081403896 /nfs/dbraw/zinc/40/38/96/1081403896.db2.gz YPEOMTKULSFJBV-IDTUSYRASA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cccc2ccc(C)nc21 ZINC001668877646 1081405914 /nfs/dbraw/zinc/40/59/14/1081405914.db2.gz PAZLAXMEUSGKQF-WAYWQWQTSA-N 0 3 307.397 2.442 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C3CC3)CCOCC1)C2 ZINC001095814790 1081414416 /nfs/dbraw/zinc/41/44/16/1081414416.db2.gz LFOWSCOYPCGWLG-IKGGRYGDSA-N 0 3 318.461 2.491 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cnc(-c2ccco2)s1 ZINC001669149870 1081432637 /nfs/dbraw/zinc/43/26/37/1081432637.db2.gz DRMOUTMDYVYAQM-SNAWJCMRSA-N 0 3 315.398 2.302 20 30 DEEDHN CCc1cc(C(=O)NC/C=C/CNCc2ccc(C#N)cc2)no1 ZINC001669146539 1081432647 /nfs/dbraw/zinc/43/26/47/1081432647.db2.gz UCJLUVZRYLETKW-ONEGZZNKSA-N 0 3 324.384 2.184 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN[C@@H](C)C(=O)N1CCCCC1 ZINC001669302792 1081444962 /nfs/dbraw/zinc/44/49/62/1081444962.db2.gz WYMXUTDIBNGLAD-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CNCc1cnc(C(F)(F)F)nc1 ZINC001669520097 1081454752 /nfs/dbraw/zinc/45/47/52/1081454752.db2.gz ADCOXQMLQMLFPR-JTQLQIEISA-N 0 3 316.327 2.056 20 30 DEEDHN CCc1cncc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001669613729 1081460696 /nfs/dbraw/zinc/46/06/96/1081460696.db2.gz FLRMJNUMAUYCNK-INIZCTEOSA-N 0 3 321.424 2.404 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(Br)c[nH]1 ZINC001669846127 1081474252 /nfs/dbraw/zinc/47/42/52/1081474252.db2.gz RWNQDLJDQMNALL-SECBINFHSA-N 0 3 300.200 2.013 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001669851775 1081474433 /nfs/dbraw/zinc/47/44/33/1081474433.db2.gz NKOVHPYEANPQDO-WCXIOVBPSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCN(C(=O)/C=C\C(C)(C)C)C1CCN(CCOC)CC1 ZINC001270296619 1081496508 /nfs/dbraw/zinc/49/65/08/1081496508.db2.gz 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CC#CCNC1(CNC(=O)c2cccc(OC)c2F)CCC1 ZINC001673222276 1081748007 /nfs/dbraw/zinc/74/80/07/1081748007.db2.gz WFNHZVWBEPISCC-UHFFFAOYSA-N 0 3 304.365 2.100 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@H](CNC[C@@H](F)CC)C2)CCC1 ZINC001673310660 1081753724 /nfs/dbraw/zinc/75/37/24/1081753724.db2.gz MZFAPRCCLZSNEA-LSDHHAIUSA-N 0 3 312.429 2.298 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)COc2ccccc2F)CC1 ZINC001673406038 1081768231 /nfs/dbraw/zinc/76/82/31/1081768231.db2.gz AHDCLIGUMFLOJO-OAHLLOKOSA-N 0 3 318.392 2.199 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001673434176 1081770786 /nfs/dbraw/zinc/77/07/86/1081770786.db2.gz HHGXBRZUSHXOAT-KRWDZBQOSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c(F)ccc(F)c1OC ZINC001673457928 1081771398 /nfs/dbraw/zinc/77/13/98/1081771398.db2.gz NUYQOOFRIUTJJM-UHFFFAOYSA-N 0 3 324.371 2.391 20 30 DEEDHN Cc1ncc(CNC[C@H](CC(C)C)NC(=O)C#CC(C)C)cn1 ZINC001482384549 1081782541 /nfs/dbraw/zinc/78/25/41/1081782541.db2.gz SPYALOSJBNDYSK-KRWDZBQOSA-N 0 3 316.449 2.065 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](CNCc1cccnc1)CC(C)C ZINC001482384340 1081784360 /nfs/dbraw/zinc/78/43/60/1081784360.db2.gz OKLAABQHTLEATJ-QGZVFWFLSA-N 0 3 301.434 2.362 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1n[nH]c(C)n1)CC(C)C ZINC001482392626 1081788753 /nfs/dbraw/zinc/78/87/53/1081788753.db2.gz ZBFUCVNBEAIGBI-CQSZACIVSA-N 0 3 321.469 2.336 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001270892661 1081814429 /nfs/dbraw/zinc/81/44/29/1081814429.db2.gz PHNVAEZUNWYAIN-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC[C@H]2CCOC2)C(C)(C)C1 ZINC001674011828 1081824212 /nfs/dbraw/zinc/82/42/12/1081824212.db2.gz DHUZOMLVGJCUCV-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1nn(C)c(Cl)c1CN[C@@H](C)CCNC(=O)C#CC(C)C ZINC001674185484 1081850866 /nfs/dbraw/zinc/85/08/66/1081850866.db2.gz OJJKPFRKCCIBHA-LBPRGKRZSA-N 0 3 324.856 2.026 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCCCCC1 ZINC001270977314 1081861953 /nfs/dbraw/zinc/86/19/53/1081861953.db2.gz VCMIFZXJHJYVTR-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cn(CC)nc2C)C1 ZINC001270999531 1081870511 /nfs/dbraw/zinc/87/05/11/1081870511.db2.gz QHWZGWYGTUMQTO-SFHVURJKSA-N 0 3 316.449 2.067 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccco1 ZINC001674434415 1081870453 /nfs/dbraw/zinc/87/04/53/1081870453.db2.gz AOKAOCZCCUIZKG-FDMDGMSGSA-N 0 3 318.417 2.418 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCC(=O)N1CCCCC1 ZINC001271093032 1081906948 /nfs/dbraw/zinc/90/69/48/1081906948.db2.gz MCKSDQDVUTVOCV-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)SC)C1 ZINC001271094619 1081908448 /nfs/dbraw/zinc/90/84/48/1081908448.db2.gz YBMCAKNENXIOGG-STQMWFEESA-N 0 3 318.433 2.225 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)Cc1ccc([S@](C)=O)cc1 ZINC001649249261 1081950752 /nfs/dbraw/zinc/95/07/52/1081950752.db2.gz OWZDPANPUICYOS-PEBXRYMYSA-N 0 3 315.398 2.059 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2C)C1 ZINC001266316334 1081966133 /nfs/dbraw/zinc/96/61/33/1081966133.db2.gz AYFVJDXBBYNVHD-QGZVFWFLSA-N 0 3 314.429 2.498 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC001266319934 1081968693 /nfs/dbraw/zinc/96/86/93/1081968693.db2.gz VVUKWEBQZGHGPI-HUUCEWRRSA-N 0 3 310.388 2.416 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001271183812 1081982994 /nfs/dbraw/zinc/98/29/94/1081982994.db2.gz FMCUOGOWLJXCNQ-LJQANCHMSA-N 0 3 316.445 2.382 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)CCc2ccccc2C)C1 ZINC001266344243 1081986036 /nfs/dbraw/zinc/98/60/36/1081986036.db2.gz FUSCCQVDQGWPOU-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)/C=C(\C)C1CC1 ZINC001271247443 1081998837 /nfs/dbraw/zinc/99/88/37/1081998837.db2.gz RRCPGEOBWWTFCJ-VMEIHUARSA-N 0 3 306.450 2.113 20 30 DEEDHN C=CCC[NH2+]C[C@H](NC(=O)c1cnc[n-]c1=O)C1CCCCC1 ZINC001271341864 1082015943 /nfs/dbraw/zinc/01/59/43/1082015943.db2.gz 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/nfs/dbraw/zinc/06/98/77/1082069877.db2.gz OUEHFFCNVIISOL-IXDOHACOSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(OCC)cc1 ZINC001266492591 1082072231 /nfs/dbraw/zinc/07/22/31/1082072231.db2.gz RYSWTGGVFYCSLU-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(CCC(F)(F)F)C1 ZINC001266502354 1082080310 /nfs/dbraw/zinc/08/03/10/1082080310.db2.gz BQIIFDZNEUMBKB-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2cccc(Cl)c2F)C1 ZINC001266537327 1082131946 /nfs/dbraw/zinc/13/19/46/1082131946.db2.gz JCLULVVQEOHFAE-GFCCVEGCSA-N 0 3 308.784 2.093 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](CNCc1ccc(Cl)nc1)C1CC1 ZINC001670469395 1082145233 /nfs/dbraw/zinc/14/52/33/1082145233.db2.gz IOWUCCGEXRJVQR-HNNXBMFYSA-N 0 3 319.836 2.379 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C2CC2)nn1CC ZINC001266565348 1082162772 /nfs/dbraw/zinc/16/27/72/1082162772.db2.gz URLZLEVOHODGQW-UHFFFAOYSA-N 0 3 316.449 2.246 20 30 DEEDHN COc1cc(CN[C@@H](CNC(=O)C#CC(C)C)C(C)C)sn1 ZINC001271836560 1082168412 /nfs/dbraw/zinc/16/84/12/1082168412.db2.gz BKTLTCOVZPVYSU-AWEZNQCLSA-N 0 3 323.462 2.042 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccc2ncsc2c1 ZINC001266577461 1082171628 /nfs/dbraw/zinc/17/16/28/1082171628.db2.gz LVLVZZXTTORROE-UHFFFAOYSA-N 0 3 301.415 2.371 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001266591140 1082179387 /nfs/dbraw/zinc/17/93/87/1082179387.db2.gz AMIVJFGVPCHBKG-HDJSIYSDSA-N 0 3 304.340 2.115 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)Oc1cccnc1 ZINC001670687920 1082217784 /nfs/dbraw/zinc/21/77/84/1082217784.db2.gz ZFQILRSJDGUBEQ-GJZGRUSLSA-N 0 3 303.406 2.006 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COCCc2ccccc2)C1 ZINC001266641764 1082241809 /nfs/dbraw/zinc/24/18/09/1082241809.db2.gz OLHSGVPLFICYTB-WKILWMFISA-N 0 3 322.836 2.235 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001266651824 1082248140 /nfs/dbraw/zinc/24/81/40/1082248140.db2.gz JGXPGGICFOSLBJ-PHSGOXPASA-N 0 3 318.461 2.350 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001670719232 1082250006 /nfs/dbraw/zinc/25/00/06/1082250006.db2.gz MVESRAOEYLJFTI-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2CCC(F)(F)F ZINC001272016095 1082270532 /nfs/dbraw/zinc/27/05/32/1082270532.db2.gz NZSUQZSNORWZGA-STQMWFEESA-N 0 3 320.355 2.207 20 30 DEEDHN CS[C@@H](C)CC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001266678294 1082275692 /nfs/dbraw/zinc/27/56/92/1082275692.db2.gz XWFUJNHLZWCHQH-LBPRGKRZSA-N 0 3 323.437 2.387 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H](NCc2ccns2)C1)OCC ZINC001266688097 1082285360 /nfs/dbraw/zinc/28/53/60/1082285360.db2.gz HOGPLQAPZFEFIU-VNHYZAJKSA-N 0 3 323.462 2.251 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCN[C@@H](C)C(=O)NC1CCCC1 ZINC001266711805 1082299094 /nfs/dbraw/zinc/29/90/94/1082299094.db2.gz FGFBKBMIODJWSF-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC001266713712 1082301412 /nfs/dbraw/zinc/30/14/12/1082301412.db2.gz MXPAFEIFMMANIW-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1nc(Cl)sc1Cl ZINC001266800248 1082354516 /nfs/dbraw/zinc/35/45/16/1082354516.db2.gz QMACGSLYFRBDQI-UHFFFAOYSA-N 0 3 306.218 2.135 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC001482603475 1082372583 /nfs/dbraw/zinc/37/25/83/1082372583.db2.gz GSBJCTGVFYCQSE-UHFFFAOYSA-N 0 3 319.449 2.318 20 30 DEEDHN COCC#CCNCCN(C)C(=O)[C@@H](c1ccccc1)C(C)C ZINC001266846633 1082389347 /nfs/dbraw/zinc/38/93/47/1082389347.db2.gz BXCDHGQZEFXDFW-GOSISDBHSA-N 0 3 316.445 2.124 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1conc1C(F)(F)F ZINC001272067783 1082391162 /nfs/dbraw/zinc/39/11/62/1082391162.db2.gz MZOFAOOKFOFGCT-UHFFFAOYSA-N 0 3 305.300 2.273 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(c2cc(C)no2)CC1 ZINC001266853945 1082397407 /nfs/dbraw/zinc/39/74/07/1082397407.db2.gz XBMQRPVTCSZZFM-HNNXBMFYSA-N 0 3 315.417 2.009 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H]2CCCCN2CCCO)CCCCC1 ZINC001266859244 1082403354 /nfs/dbraw/zinc/40/33/54/1082403354.db2.gz KHOHGQDUPGAFPO-KRWDZBQOSA-N 0 3 320.477 2.313 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001482623134 1082417894 /nfs/dbraw/zinc/41/78/94/1082417894.db2.gz UUGDICBZKFKJCF-QGZVFWFLSA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCC[NH2+]C1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001266908976 1082448444 /nfs/dbraw/zinc/44/84/44/1082448444.db2.gz BXCPTLPMGCRPPF-UHFFFAOYSA-N 0 3 313.405 2.165 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)C2CC(C)(C)C2)CC1 ZINC001279544128 1082482578 /nfs/dbraw/zinc/48/25/78/1082482578.db2.gz DIBJIVUPJDLZBB-UHFFFAOYSA-N 0 3 306.450 2.374 20 30 DEEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)c1cc(C#N)c[nH]1 ZINC001482819217 1082514607 /nfs/dbraw/zinc/51/46/07/1082514607.db2.gz BLYAQAVBAUAIOS-ZDUSSCGKSA-N 0 3 321.384 2.056 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001482954396 1082575736 /nfs/dbraw/zinc/57/57/36/1082575736.db2.gz BNARGRPUAQARHJ-HOTGVXAUSA-N 0 3 310.482 2.393 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1scnc1Cl ZINC001272171825 1082612854 /nfs/dbraw/zinc/61/28/54/1082612854.db2.gz GENCIWQXBDKUDT-UHFFFAOYSA-N 0 3 317.842 2.003 20 30 DEEDHN CC(C)C#CC(=O)NC/C=C\CNCc1ccnc(Cl)c1 ZINC001483006353 1082620583 /nfs/dbraw/zinc/62/05/83/1082620583.db2.gz RIXMNQDODWRMIV-ARJAWSKDSA-N 0 3 305.809 2.156 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001483034843 1082636867 /nfs/dbraw/zinc/63/68/67/1082636867.db2.gz NPQPCYPXFKEHPT-SREVYHEPSA-N 0 3 312.413 2.256 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001483097153 1082705912 /nfs/dbraw/zinc/70/59/12/1082705912.db2.gz IIXRCZSHKPZPCE-XHPSBEMXSA-N 0 3 300.402 2.084 20 30 DEEDHN C=CCC1(C(=O)NC/C=C\CNCC#CCOC)CCCC1 ZINC001483102325 1082709679 /nfs/dbraw/zinc/70/96/79/1082709679.db2.gz BOHQQBSMEQWOKE-SREVYHEPSA-N 0 3 304.434 2.035 20 30 DEEDHN Cc1cncc(CC(=O)N[C@H](C)CNCC#Cc2ccccc2)c1 ZINC001483154035 1082779905 /nfs/dbraw/zinc/77/99/05/1082779905.db2.gz PBEJYKRIAKMVCH-QGZVFWFLSA-N 0 3 321.424 2.079 20 30 DEEDHN Cc1cnc([C@H](C)NCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)cn1 ZINC001409444431 1082893119 /nfs/dbraw/zinc/89/31/19/1082893119.db2.gz IDHXCPZCTIKPBV-JSGCOSHPSA-N 0 3 317.437 2.080 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1 ZINC001483331469 1083109433 /nfs/dbraw/zinc/10/94/33/1083109433.db2.gz PZIXDGIXBKGHAP-CXAGYDPISA-N 0 3 308.397 2.089 20 30 DEEDHN CC[C@H](C)CC(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107383715 1083365536 /nfs/dbraw/zinc/36/55/36/1083365536.db2.gz DGNKBAUYOLCRKI-YQVWRLOYSA-N 0 3 320.477 2.433 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H](CNCc1cncc(F)c1)C1CC1 ZINC001276589470 1083502893 /nfs/dbraw/zinc/50/28/93/1083502893.db2.gz QZICOXQMHFYCPU-MRXNPFEDSA-N 0 3 317.408 2.255 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H](CNCc1ccns1)C1CC1 ZINC001276589002 1083504276 /nfs/dbraw/zinc/50/42/76/1083504276.db2.gz MDMYLCOWSITEGT-CQSZACIVSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001214329297 1083562000 /nfs/dbraw/zinc/56/20/00/1083562000.db2.gz CEHPIBFPYJUCDH-MLGOLLRUSA-N 0 3 324.371 2.104 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)c3cccs3)[C@@H]2C1 ZINC001276717842 1083567741 /nfs/dbraw/zinc/56/77/41/1083567741.db2.gz RPVQTDPFYFVWEN-ZQDZILKHSA-N 0 3 302.443 2.169 20 30 DEEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)N[C@H](C)c1ncc[nH]1 ZINC001276885697 1083665761 /nfs/dbraw/zinc/66/57/61/1083665761.db2.gz QPTXCBYLBMLSNF-CPUCHLNUSA-N 0 3 302.422 2.408 20 30 DEEDHN N#CC1(NC(=O)[C@@H]2CC23CN(CCc2cccs2)C3)CCC1 ZINC001276926321 1083684396 /nfs/dbraw/zinc/68/43/96/1083684396.db2.gz QTUIQXAXRZJATE-AWEZNQCLSA-N 0 3 315.442 2.175 20 30 DEEDHN C[C@H]1C[C@H]1CN1CCc2nc(C(=O)N3CC(CC#N)C3)ccc2C1 ZINC001277145239 1083806793 /nfs/dbraw/zinc/80/67/93/1083806793.db2.gz ADDFROFWTBRCKU-BBRMVZONSA-N 0 3 324.428 2.081 20 30 DEEDHN CCCCCCCN1CCn2c(nnc2C(=O)N(C)C)C[C@H]1C ZINC001277226254 1083854665 /nfs/dbraw/zinc/85/46/65/1083854665.db2.gz UDVOBZHWLAIFNG-CQSZACIVSA-N 0 3 321.469 2.197 20 30 DEEDHN CCC(CC)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932317 1083906058 /nfs/dbraw/zinc/90/60/58/1083906058.db2.gz JXGUYVWQZVPDDT-GOSISDBHSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001490917084 1083923447 /nfs/dbraw/zinc/92/34/47/1083923447.db2.gz NKUXTPNZXWNEBS-DRZSPHRISA-N 0 3 305.426 2.013 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCOC ZINC001277436451 1083967384 /nfs/dbraw/zinc/96/73/84/1083967384.db2.gz MJNJFHKXHLXCGK-CALCHBBNSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)[C@H]2CCCO2)C1 ZINC001490947092 1083967882 /nfs/dbraw/zinc/96/78/82/1083967882.db2.gz LRSQLMIFHWGTTM-FMKGYKFTSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)c1 ZINC001490973720 1083979331 /nfs/dbraw/zinc/97/93/31/1083979331.db2.gz BTWBDOZDAFIEKJ-MQVJKMGUSA-N 0 3 316.449 2.244 20 30 DEEDHN C=CCc1cccc(C[NH+]2CC3(C[C@H]3C(=O)N(C)C)C2)c1[O-] ZINC001277464613 1083984432 /nfs/dbraw/zinc/98/44/32/1083984432.db2.gz ZCLNDBWIQBKJHC-HNNXBMFYSA-N 0 3 300.402 2.031 20 30 DEEDHN C=CCc1cccc(CN2CC3(C[C@H]3C(=O)N(C)C)C2)c1O ZINC001277464613 1083984438 /nfs/dbraw/zinc/98/44/38/1083984438.db2.gz ZCLNDBWIQBKJHC-HNNXBMFYSA-N 0 3 300.402 2.031 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c1[O-] ZINC001277464375 1083984614 /nfs/dbraw/zinc/98/46/14/1083984614.db2.gz UPSRAZYCHUWGIB-YLJYHZDGSA-N 0 3 324.424 2.341 20 30 DEEDHN C=CCc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c1[O-] ZINC001277464375 1083984625 /nfs/dbraw/zinc/98/46/25/1083984625.db2.gz UPSRAZYCHUWGIB-YLJYHZDGSA-N 0 3 324.424 2.341 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001491013806 1084007380 /nfs/dbraw/zinc/00/73/80/1084007380.db2.gz ZSMQPNCNRPKWBF-ZXTQRBJTSA-N 0 3 320.408 2.451 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC001280872504 1084053746 /nfs/dbraw/zinc/05/37/46/1084053746.db2.gz GKKXTBVZOHTYMS-IAGOWNOFSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCc2cccc(OC)c2)C1 ZINC001491111356 1084079460 /nfs/dbraw/zinc/07/94/60/1084079460.db2.gz OCUUHAOJAOVXOZ-QGZVFWFLSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)COc2ccccc2CC)C1 ZINC001491127954 1084094964 /nfs/dbraw/zinc/09/49/64/1084094964.db2.gz GDNZYGOLPQRRBZ-INIZCTEOSA-N 0 3 314.429 2.089 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CCSC3(CCC3)C1)C2 ZINC001649086174 1084101412 /nfs/dbraw/zinc/10/14/12/1084101412.db2.gz CCHCDWPMRYIHOR-IOSBVQAASA-N 0 3 319.474 2.060 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)NCC(=O)NC1CCCCCC1 ZINC001277770271 1084139008 /nfs/dbraw/zinc/13/90/08/1084139008.db2.gz BTNUIDQSEKFYPR-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCOc2ccccc2)C1 ZINC001491298005 1084218787 /nfs/dbraw/zinc/21/87/87/1084218787.db2.gz ASYJZOPWOLADBL-IRXDYDNUSA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](CCC)OCC)C2)C1 ZINC001671038512 1084224508 /nfs/dbraw/zinc/22/45/08/1084224508.db2.gz DCXDFIOAXKFDMC-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN CC(=O)CCCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001491386920 1084270997 /nfs/dbraw/zinc/27/09/97/1084270997.db2.gz BVFKCCUQAZOGBR-LBPRGKRZSA-N 0 3 319.380 2.051 20 30 DEEDHN C#CCC1(C(=O)NC[C@@]2(C)CN(C[C@@H](C)CC)CCO2)CCC1 ZINC001107990955 1084277096 /nfs/dbraw/zinc/27/70/96/1084277096.db2.gz RZGYMNVLSQDRLK-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)ns1 ZINC001491442957 1084314782 /nfs/dbraw/zinc/31/47/82/1084314782.db2.gz WFELRRODDYCBLV-VIFPVBQESA-N 0 3 320.443 2.293 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCOC2 ZINC001235260032 1084363464 /nfs/dbraw/zinc/36/34/64/1084363464.db2.gz FNHGHNZNAMGPHI-HNNXBMFYSA-N 0 3 317.433 2.200 20 30 DEEDHN COC1(CC(=O)N[C@@]23CC[C@@](NCCC#N)(C2)CCC3)CCC1 ZINC001277936295 1084382216 /nfs/dbraw/zinc/38/22/16/1084382216.db2.gz FGBIDDYNJJACTE-SJORKVTESA-N 0 3 319.449 2.410 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001277939312 1084402998 /nfs/dbraw/zinc/40/29/98/1084402998.db2.gz ZKXNALQAASOHFR-CABCVRRESA-N 0 3 304.409 2.464 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)CC(C)(C)O)cccc2C1 ZINC001272917436 1084471018 /nfs/dbraw/zinc/47/10/18/1084471018.db2.gz XXAFGQLTODNYFZ-UHFFFAOYSA-N 0 3 316.445 2.398 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(OC)cc1)CC2 ZINC001272918888 1084480767 /nfs/dbraw/zinc/48/07/67/1084480767.db2.gz SYCFROGTRHDRHE-KRWDZBQOSA-N 0 3 312.413 2.047 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001078276074 1084626789 /nfs/dbraw/zinc/62/67/89/1084626789.db2.gz BMZIWFXNYAPIMD-HZPDHXFCSA-N 0 3 314.385 2.174 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)C12CCC2 ZINC001078575695 1084752078 /nfs/dbraw/zinc/75/20/78/1084752078.db2.gz KUGBGHVWIGRZTC-CHWSQXEVSA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C12CCC2 ZINC001078596767 1084762466 /nfs/dbraw/zinc/76/24/66/1084762466.db2.gz MKPKSHYREVJKIY-ZIAGYGMSSA-N 0 3 318.808 2.269 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccnc2)C12CCC2 ZINC001078599587 1084763787 /nfs/dbraw/zinc/76/37/87/1084763787.db2.gz WEJSKHMHTUTIJC-LSDHHAIUSA-N 0 3 319.836 2.394 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2cnc(C)o2)C12CCC2 ZINC001078644540 1084790376 /nfs/dbraw/zinc/79/03/76/1084790376.db2.gz GPXKOCCLRDTDMS-KBPBESRZSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)Cc2cnc(C)o2)C12CCC2 ZINC001078644541 1084790511 /nfs/dbraw/zinc/79/05/11/1084790511.db2.gz GPXKOCCLRDTDMS-KGLIPLIRSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2c[nH]nc2CC)C12CCC2 ZINC001078665409 1084799786 /nfs/dbraw/zinc/79/97/86/1084799786.db2.gz IARLYMZIZCVDFT-KGLIPLIRSA-N 0 3 322.840 2.355 20 30 DEEDHN C=CCCC(=O)NC[C@H](CO)N[C@@H]1CCCc2ccccc21 ZINC001485980130 1085019610 /nfs/dbraw/zinc/01/96/10/1085019610.db2.gz RMFXGGPFDQPPGC-NVXWUHKLSA-N 0 3 302.418 2.097 20 30 DEEDHN COc1ccc(CNCCNC(=O)C(C)(C)C(C)C)cc1C#N ZINC001128158783 1085043528 /nfs/dbraw/zinc/04/35/28/1085043528.db2.gz VMZVYRTUNMCOMM-UHFFFAOYSA-N 0 3 317.433 2.455 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)c(F)c2)C1 ZINC001486113508 1085072161 /nfs/dbraw/zinc/07/21/61/1085072161.db2.gz DHHYRGJDWCTMFW-OCCSQVGLSA-N 0 3 304.365 2.050 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2ccn(C)c2C)[C@@H]1C ZINC001486182069 1085109950 /nfs/dbraw/zinc/10/99/50/1085109950.db2.gz TZNLBCSYKRWARB-DOTOQJQBSA-N 0 3 319.449 2.119 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001486193424 1085120023 /nfs/dbraw/zinc/12/00/23/1085120023.db2.gz BWHLQFQYPZTZFI-HUUCEWRRSA-N 0 3 302.422 2.126 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000960255865 1085166043 /nfs/dbraw/zinc/16/60/43/1085166043.db2.gz MTYKVGPPXZHCNR-SJLPKXTDSA-N 0 3 320.396 2.448 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1CC ZINC000960258265 1085168132 /nfs/dbraw/zinc/16/81/32/1085168132.db2.gz YDMYHNWYICIJGS-SJLPKXTDSA-N 0 3 324.428 2.465 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1nn(C)cc1C ZINC000960267153 1085173112 /nfs/dbraw/zinc/17/31/12/1085173112.db2.gz JTEHNCYBKPCVOZ-SJLPKXTDSA-N 0 3 324.428 2.290 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc(C)n1C ZINC000960299256 1085187336 /nfs/dbraw/zinc/18/73/36/1085187336.db2.gz HFGVRRADFIJZGF-SJLPKXTDSA-N 0 3 324.428 2.290 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCC=C)cn1 ZINC000960327681 1085198099 /nfs/dbraw/zinc/19/80/99/1085198099.db2.gz RTCIGNGZLIMXIM-RTBURBONSA-N 0 3 317.392 2.234 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(Cl)cc1F ZINC001486339232 1085209897 /nfs/dbraw/zinc/20/98/97/1085209897.db2.gz RDHSPBFLEYWWEO-GFCCVEGCSA-N 0 3 314.788 2.030 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1C[C@H](C)CO1)C2 ZINC000964415266 1085217834 /nfs/dbraw/zinc/21/78/34/1085217834.db2.gz DXWWLSZPRWSJFJ-CQHDAIKCSA-N 0 3 312.841 2.181 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000960488266 1085312047 /nfs/dbraw/zinc/31/20/47/1085312047.db2.gz AHLUBWIMCJIWQH-WMLDXEAASA-N 0 3 310.401 2.141 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960494016 1085312984 /nfs/dbraw/zinc/31/29/84/1085312984.db2.gz LKYQXZIRQNPAGR-WMLDXEAASA-N 0 3 310.401 2.141 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC000960494758 1085313288 /nfs/dbraw/zinc/31/32/88/1085313288.db2.gz NXYQAGBSJWKQCJ-XJKSGUPXSA-N 0 3 303.381 2.408 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCCOC)CC[C@H]1C(F)(F)F ZINC001486451396 1085322648 /nfs/dbraw/zinc/32/26/48/1085322648.db2.gz NPOJZIIDRGDYJR-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)CCCCOC)CC[C@@H]1C(F)(F)F ZINC001486451399 1085323166 /nfs/dbraw/zinc/32/31/66/1085323166.db2.gz NPOJZIIDRGDYJR-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2cccc(F)c2)CC1 ZINC001486502315 1085376641 /nfs/dbraw/zinc/37/66/41/1085376641.db2.gz PIARJFRMCFJJKG-UHFFFAOYSA-N 0 3 318.392 2.390 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000960713789 1085423899 /nfs/dbraw/zinc/42/38/99/1085423899.db2.gz OKDUPPZEZTVQAA-UTXMOHQDSA-N 0 3 314.433 2.009 20 30 DEEDHN C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122005 1085594236 /nfs/dbraw/zinc/59/42/36/1085594236.db2.gz JBFHPWLJXAROHR-JKSUJKDBSA-N 0 3 312.413 2.200 20 30 DEEDHN C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122005 1085594243 /nfs/dbraw/zinc/59/42/43/1085594243.db2.gz JBFHPWLJXAROHR-JKSUJKDBSA-N 0 3 312.413 2.200 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000961152133 1085614745 /nfs/dbraw/zinc/61/47/45/1085614745.db2.gz SWNQEGCAJGIZNV-PVTKRXDGSA-N 0 3 306.356 2.301 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CCO[C@@H]1C)C2 ZINC000965588424 1085622707 /nfs/dbraw/zinc/62/27/07/1085622707.db2.gz IQEDUIFVNFTLBL-IGNPEZTESA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCO[C@H]1C)C2 ZINC000965588429 1085623143 /nfs/dbraw/zinc/62/31/43/1085623143.db2.gz IQEDUIFVNFTLBL-PPMUBJGVSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965621060 1085626905 /nfs/dbraw/zinc/62/69/05/1085626905.db2.gz FMDSVRDKKMQXRF-NOZJJQNGSA-N 0 3 310.829 2.219 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(O)cc1)CC2 ZINC001272962284 1085676123 /nfs/dbraw/zinc/67/61/23/1085676123.db2.gz NAMUEJOGUNBNAG-INIZCTEOSA-N 0 3 300.402 2.297 20 30 DEEDHN C=C(C)CCC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001128405206 1085765283 /nfs/dbraw/zinc/76/52/83/1085765283.db2.gz TZSRCNZEXLWBJY-UHFFFAOYSA-N 0 3 301.390 2.129 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC001273007327 1085896108 /nfs/dbraw/zinc/89/61/08/1085896108.db2.gz BLYUIJXPCADGQG-UHFFFAOYSA-N 0 3 324.424 2.069 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3c[nH]cn3)C2)C1=O ZINC001273024333 1086004870 /nfs/dbraw/zinc/00/48/70/1086004870.db2.gz PVUHMONJGCBLEW-GOSISDBHSA-N 0 3 308.385 2.086 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC)[C@@H](n2ccnn2)C1 ZINC001128662076 1086317249 /nfs/dbraw/zinc/31/72/49/1086317249.db2.gz FEFLVQMZVJFDMR-CVEARBPZSA-N 0 3 319.453 2.166 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc(C)no1)C2 ZINC000963542071 1086490415 /nfs/dbraw/zinc/49/04/15/1086490415.db2.gz KHHILCIIQBIYTO-UHFFFAOYSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)n1cccn1)C2 ZINC000963592561 1086506375 /nfs/dbraw/zinc/50/63/75/1086506375.db2.gz BUEGLLYQWQXTGV-BHTBLZRRSA-N 0 3 322.840 2.214 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCC(C)C)C[C@@H]1n1ccnn1 ZINC001129032978 1086576627 /nfs/dbraw/zinc/57/66/27/1086576627.db2.gz XJWBWIPDTWUVPV-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001486893540 1087019140 /nfs/dbraw/zinc/01/91/40/1087019140.db2.gz FPTKOQLSZATNAG-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001486986228 1087066337 /nfs/dbraw/zinc/06/63/37/1087066337.db2.gz MIGSQAJEBPWQCP-KBXCAEBGSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](CC)c2c(C)noc2C)CCC1 ZINC001273173242 1087174484 /nfs/dbraw/zinc/17/44/84/1087174484.db2.gz HZOZAEFXYUQFKU-AWEZNQCLSA-N 0 3 303.406 2.047 20 30 DEEDHN C#CCNC1(CNC(=O)c2cnc(-c3ccco3)s2)CCC1 ZINC001273185654 1087235802 /nfs/dbraw/zinc/23/58/02/1087235802.db2.gz CAEPCTUEBVNHAV-UHFFFAOYSA-N 0 3 315.398 2.278 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001063172824 1087370625 /nfs/dbraw/zinc/37/06/25/1087370625.db2.gz UQWUDXQDKVANHJ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](F)CC)CC[C@H]1c1ccc(F)cc1 ZINC001079156946 1087739889 /nfs/dbraw/zinc/73/98/89/1087739889.db2.gz QALHBYBTXIMBCD-YESZJQIVSA-N 0 3 320.383 2.481 20 30 DEEDHN C=CCN1CC(N(CC)C(=O)c2ccccc2CN(C)C)C1 ZINC000957421980 1088275693 /nfs/dbraw/zinc/27/56/93/1088275693.db2.gz BBUZHQBKVBOSES-UHFFFAOYSA-N 0 3 301.434 2.081 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOCC(C)C)C[C@H]21 ZINC001114723897 1088292561 /nfs/dbraw/zinc/29/25/61/1088292561.db2.gz BPOKNUZIOIQUIR-NCOADZHNSA-N 0 3 308.466 2.308 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC001079751492 1088377436 /nfs/dbraw/zinc/37/74/36/1088377436.db2.gz XZXUSYKBBCHKBY-TZMCWYRMSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001079807541 1088427552 /nfs/dbraw/zinc/42/75/52/1088427552.db2.gz CBLCGTFYHRXDEQ-GDBMZVCRSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(C)CN1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000957754082 1088597934 /nfs/dbraw/zinc/59/79/34/1088597934.db2.gz CRAXTWXQHZUELE-UHFFFAOYSA-N 0 3 301.434 2.082 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc(Cl)c(C)c2)[C@H](O)C1 ZINC000958370084 1088944474 /nfs/dbraw/zinc/94/44/74/1088944474.db2.gz NQMVKPNOYLURFP-GDBMZVCRSA-N 0 3 322.836 2.247 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001080516876 1089015291 /nfs/dbraw/zinc/01/52/91/1089015291.db2.gz ANHSEFHRGUSBGU-CZUORRHYSA-N 0 3 300.402 2.077 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2cccc(C3CCC3)c2)[C@H](O)C1 ZINC000958590631 1089075014 /nfs/dbraw/zinc/07/50/14/1089075014.db2.gz BHNDVQYEPCBDDY-QZTJIDSGSA-N 0 3 314.429 2.163 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000958692441 1089141102 /nfs/dbraw/zinc/14/11/02/1089141102.db2.gz AKSQGLMBVMYWLT-CVEARBPZSA-N 0 3 320.408 2.041 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(Cl)nn(C)c2C)C1 ZINC001080860082 1089213738 /nfs/dbraw/zinc/21/37/38/1089213738.db2.gz VKIOEBBCRVBWDB-ZYHUDNBSSA-N 0 3 310.829 2.008 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001080862061 1089214925 /nfs/dbraw/zinc/21/49/25/1089214925.db2.gz PYDLDWFKLUHLGX-IIAWOOMASA-N 0 3 316.449 2.092 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H](OC)C1 ZINC001081915819 1089544729 /nfs/dbraw/zinc/54/47/29/1089544729.db2.gz WXVOKDWEQUBRNR-HZPDHXFCSA-N 0 3 306.381 2.139 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H](OC)C1 ZINC001081989080 1089619680 /nfs/dbraw/zinc/61/96/80/1089619680.db2.gz BJRZXWDWONWQSE-HZPDHXFCSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@H](OC)C1 ZINC001082124881 1089724889 /nfs/dbraw/zinc/72/48/89/1089724889.db2.gz ACKFGAYLHQPYFY-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2csc(C)c2)[C@H](OC)C1 ZINC001082240229 1089790240 /nfs/dbraw/zinc/79/02/40/1089790240.db2.gz SJGLTOPMUAMXPZ-HUUCEWRRSA-N 0 3 308.447 2.452 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNCc1cccc(Cl)n1 ZINC000959926808 1089852043 /nfs/dbraw/zinc/85/20/43/1089852043.db2.gz WNQZACOERAPSJQ-JSGCOSHPSA-N 0 3 320.824 2.365 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCC3CCCC3)[C@H]2C1 ZINC001082986421 1090132613 /nfs/dbraw/zinc/13/26/13/1090132613.db2.gz ATGKULJEDJYEBJ-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)/C=C(/C)C3CC3)[C@H]2C1 ZINC001083014969 1090142635 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DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cccc3ncccc23)C1=O ZINC001273222499 1090348907 /nfs/dbraw/zinc/34/89/07/1090348907.db2.gz VKSQCVJCJCOXCF-HXUWFJFHSA-N 0 3 319.408 2.435 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccn(C)c3CC)[C@@H]2C1 ZINC001084661741 1090375471 /nfs/dbraw/zinc/37/54/71/1090375471.db2.gz HEPLMNQSFXYHBU-RHSMWYFYSA-N 0 3 301.434 2.310 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4cc[nH]c43)[C@@H]2C1 ZINC001084677738 1090383769 /nfs/dbraw/zinc/38/37/69/1090383769.db2.gz BEGVDCZDSNJHRW-NVXWUHKLSA-N 0 3 307.397 2.338 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(F)c(OC)c3)[C@@H]2C1 ZINC001084678386 1090384254 /nfs/dbraw/zinc/38/42/54/1090384254.db2.gz MDGGTVNMWVIZAY-GDBMZVCRSA-N 0 3 316.376 2.004 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)[C@@H]2C1 ZINC001084677456 1090384956 /nfs/dbraw/zinc/38/49/56/1090384956.db2.gz NSXOQUMTLGOOOV-RDTXWAMCSA-N 0 3 307.397 2.338 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)o3)[C@@H]2C1 ZINC001084707497 1090404202 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C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C[C@@H]21 ZINC001085106193 1090649502 /nfs/dbraw/zinc/64/95/02/1090649502.db2.gz ATFDMMVMEREKPS-OIISXLGYSA-N 0 3 312.413 2.271 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)c1 ZINC001085164230 1090682048 /nfs/dbraw/zinc/68/20/48/1090682048.db2.gz WPBLIVBVLSYRKT-HZPDHXFCSA-N 0 3 323.400 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1nccc(C)n1 ZINC001085183893 1090699094 /nfs/dbraw/zinc/69/90/94/1090699094.db2.gz VDWWDEBPNAQQOF-CHWSQXEVSA-N 0 3 308.813 2.168 20 30 DEEDHN CC[C@@H](OC)C(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001273292982 1090727233 /nfs/dbraw/zinc/72/72/33/1090727233.db2.gz DQDFQNHIMBJJQW-MRXNPFEDSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(C#N)cc3F)C2)C1=O ZINC001273304815 1090850574 /nfs/dbraw/zinc/85/05/74/1090850574.db2.gz ZNUQKNGENYJGLH-GOSISDBHSA-N 0 3 313.376 2.308 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2nccn2c1 ZINC001273402574 1091204081 /nfs/dbraw/zinc/20/40/81/1091204081.db2.gz XPVRSFOAVTTXLK-HZPDHXFCSA-N 0 3 310.401 2.086 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/CNCc1csc(C)c1 ZINC001274378159 1091214010 /nfs/dbraw/zinc/21/40/10/1091214010.db2.gz LKXZXRPHSNHHJW-SGFLJFKBSA-N 0 3 320.458 2.410 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2nccc3ccccc32)C1=O ZINC001274523448 1091284093 /nfs/dbraw/zinc/28/40/93/1091284093.db2.gz GWIUGLMMXQNJNT-HXUWFJFHSA-N 0 3 319.408 2.435 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cccc(CF)n3)C2)C1=O ZINC001274604713 1091319810 /nfs/dbraw/zinc/31/98/10/1091319810.db2.gz WSZYGYSILDOWRE-QGZVFWFLSA-N 0 3 303.381 2.162 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1=O ZINC001274746293 1091394737 /nfs/dbraw/zinc/39/47/37/1091394737.db2.gz NPBQLTRZWFABLT-INIZCTEOSA-N 0 3 301.415 2.230 20 30 DEEDHN C=CCCCCCN1C[C@@H]2CN(CCn3ccnc3)C[C@H](C1)O2 ZINC001276041303 1091470637 /nfs/dbraw/zinc/47/06/37/1091470637.db2.gz VRFAMQLHUMUMTP-HDICACEKSA-N 0 3 318.465 2.015 20 30 DEEDHN C#CCCCCCC(=O)NC1(CO)CCN(CC(=C)C)CC1 ZINC001274924320 1091475055 /nfs/dbraw/zinc/47/50/55/1091475055.db2.gz QEUCGBMCVUBETB-UHFFFAOYSA-N 0 3 306.450 2.089 20 30 DEEDHN C=CCCCN1C[C@@H]2OCCN(C(=O)[C@@H]3C=CCC=C3C)[C@H]2C1 ZINC001274959495 1091494071 /nfs/dbraw/zinc/49/40/71/1091494071.db2.gz XZPBRNSXJASKBE-SQNIBIBYSA-N 0 3 316.445 2.387 20 30 DEEDHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)[nH]1 ZINC001276073711 1091510593 /nfs/dbraw/zinc/51/05/93/1091510593.db2.gz FJQSNFHDICISED-OALUTQOASA-N 0 3 323.444 2.382 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2c(c1)ncn2C ZINC001276082786 1091518740 /nfs/dbraw/zinc/51/87/40/1091518740.db2.gz BABXKZFUERDCER-UHFFFAOYSA-N 0 3 320.824 2.378 20 30 DEEDHN C#CCCCC(=O)NC1CC(CNCc2ccn(C(C)C)n2)C1 ZINC001275220607 1091620599 /nfs/dbraw/zinc/62/05/99/1091620599.db2.gz PUAKEBKLBJDIFW-UHFFFAOYSA-N 0 3 316.449 2.252 20 30 DEEDHN N#Cc1cccc(CN2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c1 ZINC001275290487 1091653568 /nfs/dbraw/zinc/65/35/68/1091653568.db2.gz OFSQSZVVBWSQSN-UHFFFAOYSA-N 0 3 321.428 2.379 20 30 DEEDHN C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001275424810 1091737310 /nfs/dbraw/zinc/73/73/10/1091737310.db2.gz QPKCNSDIKRZLAG-NEPJUHHUSA-N 0 3 318.421 2.122 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(C(C)C)n1 ZINC001275471784 1091778669 /nfs/dbraw/zinc/77/86/69/1091778669.db2.gz UMPVRWNQJNQVDU-ZIAGYGMSSA-N 0 3 319.453 2.105 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2sccc2-n2cccc2)C1 ZINC001490835735 1091809646 /nfs/dbraw/zinc/80/96/46/1091809646.db2.gz PFOVLBKQQQPMLF-AWEZNQCLSA-N 0 3 313.426 2.366 20 30 DEEDHN CCc1onc(C)c1CN1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001493200402 1091831158 /nfs/dbraw/zinc/83/11/58/1091831158.db2.gz OAMYXJJRUDKDBG-OAHLLOKOSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001275559859 1091860331 /nfs/dbraw/zinc/86/03/31/1091860331.db2.gz MWVDHMUHXQUNPJ-WCXIOVBPSA-N 0 3 306.450 2.228 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2cnc(C)s2)C1 ZINC001185019940 1091884437 /nfs/dbraw/zinc/88/44/37/1091884437.db2.gz MOLOQQLQBTVMSF-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1ccccc1OC(C)C ZINC001273571992 1091930248 /nfs/dbraw/zinc/93/02/48/1091930248.db2.gz TYMBYGPEVQICBJ-UHFFFAOYSA-N 0 3 316.445 2.430 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2ccc(CC)cn2)CC1 ZINC000948793758 1091938975 /nfs/dbraw/zinc/93/89/75/1091938975.db2.gz ZPXIPYKUESAAKM-GOSISDBHSA-N 0 3 313.445 2.133 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1cc(C)cc(C)c1 ZINC001273591408 1091941129 /nfs/dbraw/zinc/94/11/29/1091941129.db2.gz QKHGEBCSWOHLHC-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000948841005 1091962982 /nfs/dbraw/zinc/96/29/82/1091962982.db2.gz PTRQAZWUEAXAHP-HNNXBMFYSA-N 0 3 315.417 2.420 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc([O-])cn3)CC2)C1=O ZINC001273649346 1091973388 /nfs/dbraw/zinc/97/33/88/1091973388.db2.gz ZIABSDAMAJDBMI-GOSISDBHSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc([O-])cn3)CC2)C1=O ZINC001273649346 1091973394 /nfs/dbraw/zinc/97/33/94/1091973394.db2.gz ZIABSDAMAJDBMI-GOSISDBHSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3nc(C)c(C)s3)C2)C1=O ZINC001273657278 1091979126 /nfs/dbraw/zinc/97/91/26/1091979126.db2.gz MEKXYEOZZROYDM-INIZCTEOSA-N 0 3 305.447 2.370 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3nc(C)c(C)s3)C2)C1=O ZINC001273657279 1091979211 /nfs/dbraw/zinc/97/92/11/1091979211.db2.gz MEKXYEOZZROYDM-MRXNPFEDSA-N 0 3 305.447 2.370 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CC)(NCc2nncn2C)CC1 ZINC001273763237 1092037096 /nfs/dbraw/zinc/03/70/96/1092037096.db2.gz QGBGBPWVMBSNGL-UHFFFAOYSA-N 0 3 319.453 2.032 20 30 DEEDHN COC(=O)[C@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC001411749938 1092071444 /nfs/dbraw/zinc/07/14/44/1092071444.db2.gz BFBLZIQRLDKVGX-UKRRQHHQSA-N 0 3 302.374 2.026 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cnns1 ZINC001275754369 1092081764 /nfs/dbraw/zinc/08/17/64/1092081764.db2.gz BGOBVFOUCGXXGO-UKRRQHHQSA-N 0 3 320.462 2.106 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H](F)C(C)C)CC2)C1 ZINC000949436900 1092145018 /nfs/dbraw/zinc/14/50/18/1092145018.db2.gz IRDFBFFKMJLBLV-OAHLLOKOSA-N 0 3 312.429 2.250 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1Cc2ccccc2CN1CC(C)C ZINC001273813756 1092151373 /nfs/dbraw/zinc/15/13/73/1092151373.db2.gz IBSSAOLLNLQJRI-SFHVURJKSA-N 0 3 316.445 2.388 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC001275819922 1092178287 /nfs/dbraw/zinc/17/82/87/1092178287.db2.gz WLBSMDFEKGHMFU-OAHLLOKOSA-N 0 3 314.429 2.313 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001275845197 1092218865 /nfs/dbraw/zinc/21/88/65/1092218865.db2.gz PGNCHOMBVCMLGJ-CYBMUJFWSA-N 0 3 303.406 2.271 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001275897299 1092280816 /nfs/dbraw/zinc/28/08/16/1092280816.db2.gz KWWTXSGLSDJRJS-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001275897729 1092280999 /nfs/dbraw/zinc/28/09/99/1092280999.db2.gz SXAUFNGDZHFWND-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)SC)C2 ZINC001273833858 1092287310 /nfs/dbraw/zinc/28/73/10/1092287310.db2.gz RBDPMHNXTJFAMX-DOTOQJQBSA-N 0 3 308.491 2.466 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccnc1OCC(C)C ZINC001275977447 1092425096 /nfs/dbraw/zinc/42/50/96/1092425096.db2.gz RYIZXZACSYGRFP-CQSZACIVSA-N 0 3 305.422 2.353 20 30 DEEDHN C=CCCC(=O)NC/C=C\CN[C@H](C)C(=O)N1CCCCCC1 ZINC001273899811 1092490850 /nfs/dbraw/zinc/49/08/50/1092490850.db2.gz GPJWNYVTVHPIDZ-XITLMJRVSA-N 0 3 321.465 2.006 20 30 DEEDHN C=CCCC(=O)NC/C=C\CNC[C@H]1COc2ccccc2O1 ZINC001273900687 1092491331 /nfs/dbraw/zinc/49/13/31/1092491331.db2.gz KKQOWUURGHLCKX-XHPSBEMXSA-N 0 3 316.401 2.055 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C2[C@@H]3CCC[C@H]23)cc1 ZINC001273939960 1092527558 /nfs/dbraw/zinc/52/75/58/1092527558.db2.gz QZOODXMGXOTKFJ-NGEVRDCSSA-N 0 3 309.413 2.366 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001488704952 1092722860 /nfs/dbraw/zinc/72/28/60/1092722860.db2.gz PUVNAMVTUGPMNT-PLYYQAHHSA-N 0 3 314.404 2.318 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001273949563 1092733750 /nfs/dbraw/zinc/73/37/50/1092733750.db2.gz ZNOKYVYGMIYEPZ-IHWYPQMZSA-N 0 3 308.385 2.271 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001488760554 1092737171 /nfs/dbraw/zinc/73/71/71/1092737171.db2.gz HQKLXOJLCOFLBM-OKILXGFUSA-N 0 3 317.433 2.287 20 30 DEEDHN Cc1cc(CN[C@H]2C[C@H](CNC(=O)C#CC(C)C)C2)sn1 ZINC001488826415 1092768615 /nfs/dbraw/zinc/76/86/15/1092768615.db2.gz QZAXBLSOYNBMDK-HDJSIYSDSA-N 0 3 305.447 2.095 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCOCC3CC3)[C@@H]2C)C1 ZINC001489288371 1093004793 /nfs/dbraw/zinc/00/47/93/1093004793.db2.gz AEWLXIYZQRYIER-ZBFHGGJFSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nn1C ZINC001489325363 1093022059 /nfs/dbraw/zinc/02/20/59/1093022059.db2.gz DMXNKEYTEUFLKC-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2cscn2)CC(C)(C)C1 ZINC001489349853 1093034694 /nfs/dbraw/zinc/03/46/94/1093034694.db2.gz LTJRCUGLDHZGFH-AWEZNQCLSA-N 0 3 319.474 2.316 20 30 DEEDHN CN(CCCNC(=O)c1cc(C#N)c[nH]1)Cc1ccsc1 ZINC001490172549 1093231742 /nfs/dbraw/zinc/23/17/42/1093231742.db2.gz SXWQRQNMAUNRQQ-UHFFFAOYSA-N 0 3 302.403 2.200 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)OCc1ccccc1C ZINC001490228052 1093248057 /nfs/dbraw/zinc/24/80/57/1093248057.db2.gz HHLFSJHDTOMXEN-KRWDZBQOSA-N 0 3 316.445 2.362 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1[nH]c2ccccc2c1OC ZINC001490283206 1093276160 /nfs/dbraw/zinc/27/61/60/1093276160.db2.gz LTOJCODUCRHFNY-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001495357355 1093315887 /nfs/dbraw/zinc/31/58/87/1093315887.db2.gz ROGIEVKRTHAPCA-CQSZACIVSA-N 0 3 324.856 2.487 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC001490447872 1093362915 /nfs/dbraw/zinc/36/29/15/1093362915.db2.gz JKHVEOAPIAZVJL-INIZCTEOSA-N 0 3 318.392 2.199 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1cncn1C)C1CC1 ZINC001490716818 1093479684 /nfs/dbraw/zinc/47/96/84/1093479684.db2.gz NGZSTUIDFCVDDE-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001273992322 1093724818 /nfs/dbraw/zinc/72/48/18/1093724818.db2.gz YMQCIPCYPZBEDJ-IHWYPQMZSA-N 0 3 308.385 2.271 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(C#N)cc3C)CC2)C1=O ZINC001274030278 1093773514 /nfs/dbraw/zinc/77/35/14/1093773514.db2.gz HYRFWQZASGAFCN-UHFFFAOYSA-N 0 3 321.424 2.314 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)c(O)c1 ZINC001274102989 1093798080 /nfs/dbraw/zinc/79/80/80/1093798080.db2.gz TXAIQLCDSCNBSJ-HZPDHXFCSA-N 0 3 300.402 2.452 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2c[nH]nc2c1 ZINC001274225746 1093860261 /nfs/dbraw/zinc/86/02/61/1093860261.db2.gz PZORRJJUDVNIJF-IBGZPJMESA-N 0 3 322.412 2.153 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)CCn2cccn2)CCC1 ZINC001329542005 1148918403 /nfs/dbraw/zinc/91/84/03/1148918403.db2.gz SATHMJZLLCCNND-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](n3ccnn3)C2)c2cc(C#N)ccc21 ZINC001237472815 1138647812 /nfs/dbraw/zinc/64/78/12/1138647812.db2.gz NDULPCJKYQIFPH-MRXNPFEDSA-N 0 3 320.400 2.479 20 30 DEEDHN Cn1cc(CN2CCC3(CNC(=O)O3)CC2)c2cc(C#N)ccc21 ZINC001237473728 1138647917 /nfs/dbraw/zinc/64/79/17/1138647917.db2.gz SIJVUIXYXGOLLL-UHFFFAOYSA-N 0 3 324.384 2.124 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](CO)N[C@@H](C)c1cccc(F)c1 ZINC001278137897 1138773262 /nfs/dbraw/zinc/77/32/62/1138773262.db2.gz JUIRGCMYCRJJOC-YOEHRIQHSA-N 0 3 320.408 2.147 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CO)NCc1cc(C)cc(C)c1 ZINC001278148426 1138795584 /nfs/dbraw/zinc/79/55/84/1138795584.db2.gz VDEXTWNPYWYRER-PKOBYXMFSA-N 0 3 318.461 2.472 20 30 DEEDHN C#CCN(C(=O)COCC1CCCC1)C1CCN(CC=C)CC1 ZINC001278157130 1138806715 /nfs/dbraw/zinc/80/67/15/1138806715.db2.gz BAAKWHDIXKFFQG-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN(C(=O)c1conc1C)C1CCN(CC(=C)C)CC1 ZINC001278177553 1138816320 /nfs/dbraw/zinc/81/63/20/1138816320.db2.gz SWLBZYMBQGMKEE-UHFFFAOYSA-N 0 3 301.390 2.099 20 30 DEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)[C@@H]1C ZINC001238409841 1138844142 /nfs/dbraw/zinc/84/41/42/1138844142.db2.gz PWPMJRIWRHXOLO-DOMZBBRYSA-N 0 3 302.374 2.340 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001316652056 1138869775 /nfs/dbraw/zinc/86/97/75/1138869775.db2.gz NGQRNLXELZIKBC-QLFBSQMISA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)CN(C)C(C)C ZINC001294358894 1139138575 /nfs/dbraw/zinc/13/85/75/1139138575.db2.gz HSGRUAOVHLVZEX-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)NC(=O)C(C)(C)N(C)CC)CC1 ZINC001295639454 1139484410 /nfs/dbraw/zinc/48/44/10/1139484410.db2.gz ZFYFYEOWYJWVLM-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001297373569 1139864410 /nfs/dbraw/zinc/86/44/10/1139864410.db2.gz YEGXKKZDJAPLDC-UHFFFAOYSA-N 0 3 309.341 2.314 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001297419697 1139868621 /nfs/dbraw/zinc/86/86/21/1139868621.db2.gz BVCWZNWYSDDMPB-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C(=O)CN(C)CCC ZINC001297685746 1139885950 /nfs/dbraw/zinc/88/59/50/1139885950.db2.gz UPYLFNFWYIAOTI-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN COC(=O)[C@H](C[NH3+])Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242566894 1140001576 /nfs/dbraw/zinc/00/15/76/1140001576.db2.gz MYPHLRJTPPBRSZ-INIZCTEOSA-N 0 3 310.353 2.221 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccccc1OCC1CC1 ZINC001491687601 1140252279 /nfs/dbraw/zinc/25/22/79/1140252279.db2.gz QEOGFYQQIYIBRQ-AWEZNQCLSA-N 0 3 300.402 2.207 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001491772377 1140304153 /nfs/dbraw/zinc/30/41/53/1140304153.db2.gz AHNWVLFHJPLHHE-HOCLYGCPSA-N 0 3 300.402 2.013 20 30 DEEDHN Cn1nnc2cc(CNCc3cccc(OCC#N)c3)ccc21 ZINC001319378729 1140559756 /nfs/dbraw/zinc/55/97/56/1140559756.db2.gz DNCHYUCUUGQHSK-UHFFFAOYSA-N 0 3 307.357 2.160 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001319466740 1140588088 /nfs/dbraw/zinc/58/80/88/1140588088.db2.gz OIVMUYLZZVDDMO-ZDUSSCGKSA-N 0 3 307.442 2.221 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCc1c(C)nnn1CC ZINC001319525161 1140609062 /nfs/dbraw/zinc/60/90/62/1140609062.db2.gz LMPBZRCKUJXSPW-DYVFJYSZSA-N 0 3 321.469 2.145 20 30 DEEDHN Cc1ncccc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319525058 1140609567 /nfs/dbraw/zinc/60/95/67/1140609567.db2.gz ZYFKGXVRGQBAHV-MRXNPFEDSA-N 0 3 321.424 2.492 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)[C@@H](C)CNC[C@H](F)CC ZINC001319577770 1140619727 /nfs/dbraw/zinc/61/97/27/1140619727.db2.gz RSYNUMHXJDFAKI-WMLDXEAASA-N 0 3 304.409 2.395 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)C1CC2(CCC2)C1 ZINC001319621523 1140627097 /nfs/dbraw/zinc/62/70/97/1140627097.db2.gz OGASCTGYVMQUFK-QGZVFWFLSA-N 0 3 320.477 2.337 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCc1ccn(C)n1 ZINC001319743320 1140701060 /nfs/dbraw/zinc/70/10/60/1140701060.db2.gz VQDGWXLFYCOWIE-INIZCTEOSA-N 0 3 304.438 2.247 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccc(OCC)n2)C1 ZINC001278408750 1140714019 /nfs/dbraw/zinc/71/40/19/1140714019.db2.gz BBZOYIPWVMRGSV-SFHVURJKSA-N 0 3 317.433 2.180 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(C(F)(F)F)nc1 ZINC001320009192 1140811771 /nfs/dbraw/zinc/81/17/71/1140811771.db2.gz GEYOBNNKFJBSDA-UHFFFAOYSA-N 0 3 316.327 2.075 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(C(C)(C)C)nc1 ZINC001320091042 1140820151 /nfs/dbraw/zinc/82/01/51/1140820151.db2.gz QXAHLNVXNHVHKV-UHFFFAOYSA-N 0 3 304.438 2.354 20 30 DEEDHN COCC#CCN1CC[C@H]2CN(C(=O)C(C)=C3CCC3)CC[C@@H]21 ZINC001320102341 1140821831 /nfs/dbraw/zinc/82/18/31/1140821831.db2.gz FVXIPQUJBMNYSC-ROUUACIJSA-N 0 3 316.445 2.059 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001320313919 1140847952 /nfs/dbraw/zinc/84/79/52/1140847952.db2.gz RWZBISMUURTNBF-INIZCTEOSA-N 0 3 311.470 2.341 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC001320616692 1140886381 /nfs/dbraw/zinc/88/63/81/1140886381.db2.gz UBWNQZUAUDCXKF-ZDUSSCGKSA-N 0 3 310.825 2.475 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001320724318 1140898774 /nfs/dbraw/zinc/89/87/74/1140898774.db2.gz FBMLPDRVTULLDQ-GJZGRUSLSA-N 0 3 321.371 2.398 20 30 DEEDHN CCN(CCNCc1ccc(Cl)nc1)C(=O)C#CC1CC1 ZINC001320732685 1140899748 /nfs/dbraw/zinc/89/97/48/1140899748.db2.gz BHIMDRBSZYZAFL-UHFFFAOYSA-N 0 3 305.809 2.087 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001278451575 1140923720 /nfs/dbraw/zinc/92/37/20/1140923720.db2.gz WJOLMSRIILKHFN-WMZOPIPTSA-N 0 3 302.393 2.171 20 30 DEEDHN CC[C@H](SC)C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001321027848 1141033557 /nfs/dbraw/zinc/03/35/57/1141033557.db2.gz DBROZDQTHXVHET-AWFCHZOYSA-N 0 3 317.458 2.462 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)Cc3ccco3)CCC[C@H]12 ZINC001278466078 1141060544 /nfs/dbraw/zinc/06/05/44/1141060544.db2.gz GCIXGSSBMPKZDV-QILLFSRXSA-N 0 3 300.402 2.205 20 30 DEEDHN C#CCNC/C=C\CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC001321178133 1141076862 /nfs/dbraw/zinc/07/68/62/1141076862.db2.gz NYIKFOQKKDWPSX-PLNGDYQASA-N 0 3 304.821 2.476 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001321340884 1141183369 /nfs/dbraw/zinc/18/33/69/1141183369.db2.gz ZMOZLCSBULWFIC-SNAWJCMRSA-N 0 3 324.424 2.171 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1cccc(C2CC2)c1 ZINC001321418486 1141241091 /nfs/dbraw/zinc/24/10/91/1141241091.db2.gz CRPKLTGQKYAXSP-NSCUHMNNSA-N 0 3 312.413 2.089 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)N1CCCCCC1 ZINC001321532029 1141302631 /nfs/dbraw/zinc/30/26/31/1141302631.db2.gz ULJZOHRGTLVJEX-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CCCCCCC1 ZINC001321585762 1141311464 /nfs/dbraw/zinc/31/14/64/1141311464.db2.gz JBTPHEWENBEQHJ-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN CCCCCCCCNC(=S)NC1(CO)CCN(C)CC1 ZINC001247186134 1141314705 /nfs/dbraw/zinc/31/47/05/1141314705.db2.gz FGFLECCXJCEHFZ-UHFFFAOYSA-N 0 3 315.527 2.268 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)CC[C@@H](C)c1ccccc1 ZINC001321661703 1141324124 /nfs/dbraw/zinc/32/41/24/1141324124.db2.gz AWDMVLRKZUQZML-IAGOWNOFSA-N 0 3 316.445 2.314 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCC(=O)NC(C)C)CCCCC1 ZINC001322083552 1141391328 /nfs/dbraw/zinc/39/13/28/1141391328.db2.gz WGYPKNNMUCTQRC-HNNXBMFYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2ccnn2C)CCCC1 ZINC001322097366 1141393097 /nfs/dbraw/zinc/39/30/97/1141393097.db2.gz CKJSODVINUPYPX-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCCCNC(=S)Nc1cnccc1N1CCOCC1 ZINC001247709159 1141445137 /nfs/dbraw/zinc/44/51/37/1141445137.db2.gz HIPCGOAJFUYRKW-UHFFFAOYSA-N 0 3 306.435 2.171 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ncc(C)cc1OC ZINC001322549230 1141626299 /nfs/dbraw/zinc/62/62/99/1141626299.db2.gz LUXZUUZVELPHNH-UHFFFAOYSA-N 0 3 311.813 2.203 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc2cccn2cn1 ZINC001322565891 1141631112 /nfs/dbraw/zinc/63/11/12/1141631112.db2.gz JAPDCTZJDLKNGK-UHFFFAOYSA-N 0 3 306.797 2.139 20 30 DEEDHN CCc1cc(C#N)ccc1CN1CCN(CCCOC)CC1 ZINC001248751769 1141812697 /nfs/dbraw/zinc/81/26/97/1141812697.db2.gz JUYLSAUOJPLZOT-UHFFFAOYSA-N 0 3 301.434 2.275 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001323320164 1141841324 /nfs/dbraw/zinc/84/13/24/1141841324.db2.gz URHXXQKYKMICSP-KRWDZBQOSA-N 0 3 300.402 2.487 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)COc1ccccc1Cl ZINC001323353610 1141845168 /nfs/dbraw/zinc/84/51/68/1141845168.db2.gz ULFBPHKOFLXZDW-CYBMUJFWSA-N 0 3 308.809 2.485 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccc(Cl)cc2C)CC1 ZINC001323530756 1141862642 /nfs/dbraw/zinc/86/26/42/1141862642.db2.gz PYRIWVJFOXOQLU-UHFFFAOYSA-N 0 3 320.820 2.150 20 30 DEEDHN C#CCN(CC1CC1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001324008165 1141952143 /nfs/dbraw/zinc/95/21/43/1141952143.db2.gz IQYBHPRFXRROIT-GOSISDBHSA-N 0 3 313.445 2.214 20 30 DEEDHN O=C([C@H]1CC1(F)F)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001324155313 1142018387 /nfs/dbraw/zinc/01/83/87/1142018387.db2.gz NEIUBLSDKBTOIE-HZPDHXFCSA-N 0 3 318.367 2.274 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@H]1C ZINC001278533287 1142018621 /nfs/dbraw/zinc/01/86/21/1142018621.db2.gz PVRRRPUXMRJKJY-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCC(=O)NC1(C)CCN(CCn2cccn2)CC1 ZINC001324309744 1142053186 /nfs/dbraw/zinc/05/31/86/1142053186.db2.gz VUSZWFBPWYFIBZ-UHFFFAOYSA-N 0 3 316.449 2.047 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001324321187 1142055414 /nfs/dbraw/zinc/05/54/14/1142055414.db2.gz AXUGXTJVXUFMEL-CQSZACIVSA-N 0 3 304.438 2.070 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CC#Cc2ccccc2)CC1 ZINC001278637120 1142510811 /nfs/dbraw/zinc/51/08/11/1142510811.db2.gz VFGPHIQUYQFDCG-UHFFFAOYSA-N 0 3 308.425 2.280 20 30 DEEDHN C#CCOC[C@H](O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC001251851995 1142523364 /nfs/dbraw/zinc/52/33/64/1142523364.db2.gz XSVCBNQWWKLKJH-CQSZACIVSA-N 0 3 301.308 2.148 20 30 DEEDHN CCCCCCCC[C@@H](O)CNC1CN(c2ncccn2)C1 ZINC001252138992 1142655303 /nfs/dbraw/zinc/65/53/03/1142655303.db2.gz GXYLUXJRHJTRPF-MRXNPFEDSA-N 0 3 306.454 2.366 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2cnn(C)c2C)C1 ZINC001278664386 1142705590 /nfs/dbraw/zinc/70/55/90/1142705590.db2.gz XSIUUQUYNRWOFP-SFHVURJKSA-N 0 3 318.465 2.065 20 30 DEEDHN C=CCOC[C@H](O)CNCc1ccc(OC(F)(F)F)c(F)c1 ZINC001252487398 1142731910 /nfs/dbraw/zinc/73/19/10/1142731910.db2.gz TTXAWXGVABCSLQ-LLVKDONJSA-N 0 3 323.286 2.377 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1ccc(OC(F)(F)F)c(F)c1 ZINC001252487399 1142732912 /nfs/dbraw/zinc/73/29/12/1142732912.db2.gz TTXAWXGVABCSLQ-NSHDSACASA-N 0 3 323.286 2.377 20 30 DEEDHN C=C[C@](C)(O)CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001252555413 1142762953 /nfs/dbraw/zinc/76/29/53/1142762953.db2.gz UOXNDTAUBQOABE-CABZTGNLSA-N 0 3 305.300 2.205 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001252603581 1142783709 /nfs/dbraw/zinc/78/37/09/1142783709.db2.gz AWPMXFHWJZVEHB-HUUCEWRRSA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCC[C@@H](O)CN[C@H](CC(=O)OC)c1cccc(OC)c1 ZINC001252622058 1142791755 /nfs/dbraw/zinc/79/17/55/1142791755.db2.gz NNTIORZPAOIQSF-GDBMZVCRSA-N 0 3 307.390 2.216 20 30 DEEDHN C=CCC[C@H](O)CNCc1cncn1Cc1cccc(F)c1 ZINC001252622019 1142792710 /nfs/dbraw/zinc/79/27/10/1142792710.db2.gz MNVZXNLFGYNFBG-KRWDZBQOSA-N 0 3 303.381 2.487 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)C2CCCC2)CC1(C)C ZINC001278676320 1142804678 /nfs/dbraw/zinc/80/46/78/1142804678.db2.gz DTXRLBHSUHCEGE-DOTOQJQBSA-N 0 3 320.477 2.289 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001252675516 1142806388 /nfs/dbraw/zinc/80/63/88/1142806388.db2.gz IORJGDFMANFSTC-SJORKVTESA-N 0 3 318.417 2.187 20 30 DEEDHN COc1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC001252715141 1142811516 /nfs/dbraw/zinc/81/15/16/1142811516.db2.gz BVDTVLQTZRPMJN-GJZGRUSLSA-N 0 3 304.390 2.061 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2CCN(C)[C@@H](C(C)C)C2)n1C ZINC001337950752 1142814071 /nfs/dbraw/zinc/81/40/71/1142814071.db2.gz HUHLXOLUESHHNR-LSDHHAIUSA-N 0 3 303.454 2.108 20 30 DEEDHN COc1ccccc1OC[C@H](O)CN1CCC[C@@H](C#N)CC1 ZINC001252887306 1142827321 /nfs/dbraw/zinc/82/73/21/1142827321.db2.gz FGAGXAJDLOPGPS-HUUCEWRRSA-N 0 3 304.390 2.061 20 30 DEEDHN COc1ccccc1OC[C@@H](O)CN1CCC[C@H](C#N)CC1 ZINC001252887305 1142827442 /nfs/dbraw/zinc/82/74/42/1142827442.db2.gz FGAGXAJDLOPGPS-GJZGRUSLSA-N 0 3 304.390 2.061 20 30 DEEDHN COc1ccccc1OC[C@@H](O)CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001252889469 1142827657 /nfs/dbraw/zinc/82/76/57/1142827657.db2.gz XOZRKFPPASLBMA-JONQDZQNSA-N 0 3 316.401 2.201 20 30 DEEDHN COc1ccccc1OC[C@@H](O)CNCc1csc(C#N)c1 ZINC001252911098 1142829304 /nfs/dbraw/zinc/82/93/04/1142829304.db2.gz YGNCUJIZPAZNEX-ZDUSSCGKSA-N 0 3 318.398 2.158 20 30 DEEDHN C#CCN(C(=O)c1c(F)cc(OC)cc1F)C1CCN(C)CC1 ZINC001338315957 1142847456 /nfs/dbraw/zinc/84/74/56/1142847456.db2.gz WRYVDCKXJSTFKE-UHFFFAOYSA-N 0 3 322.355 2.143 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CCCO[C@@H](C(=O)OC)C1 ZINC001253241780 1142856994 /nfs/dbraw/zinc/85/69/94/1142856994.db2.gz DCUIZIOQABMSFA-JKSUJKDBSA-N 0 3 313.438 2.138 20 30 DEEDHN C=CCCCCCC[C@@H](O)C[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001253257153 1142857790 /nfs/dbraw/zinc/85/77/90/1142857790.db2.gz NPMFKESOLSFICU-ZNMIVQPWSA-N 0 3 300.443 2.384 20 30 DEEDHN C=C[C@H](O)CNCc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001253606481 1142883599 /nfs/dbraw/zinc/88/35/99/1142883599.db2.gz IGSSJEKITIBPMW-HNNXBMFYSA-N 0 3 312.348 2.172 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC001254661747 1143301704 /nfs/dbraw/zinc/30/17/04/1143301704.db2.gz XUKQTKZDCYGYOB-LSDHHAIUSA-N 0 3 303.406 2.399 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(F)(F)C1 ZINC001340206975 1143301899 /nfs/dbraw/zinc/30/18/99/1143301899.db2.gz GVSHYDDTCRLQEJ-LBPRGKRZSA-N 0 3 311.380 2.119 20 30 DEEDHN CC[C@@H](CC#N)NCC1CCN(C(=O)c2ccncc2)CC1 ZINC001255160265 1143451202 /nfs/dbraw/zinc/45/12/02/1143451202.db2.gz GRMBVSQNRKXUAV-INIZCTEOSA-N 0 3 300.406 2.216 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001341410086 1143596268 /nfs/dbraw/zinc/59/62/68/1143596268.db2.gz SLRYMFCRQJTXMS-HOCLYGCPSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001341532456 1143623317 /nfs/dbraw/zinc/62/33/17/1143623317.db2.gz JEZPWCUNSJGRNJ-HZPDHXFCSA-N 0 3 306.381 2.409 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC001341574060 1143631597 /nfs/dbraw/zinc/63/15/97/1143631597.db2.gz KEIIPOCZPUWZLL-GJZGRUSLSA-N 0 3 314.433 2.076 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC001341586462 1143632157 /nfs/dbraw/zinc/63/21/57/1143632157.db2.gz WSZHXCWRUYDDOB-HNNXBMFYSA-N 0 3 313.405 2.143 20 30 DEEDHN CN1CCC[C@@H](NC2(C#N)CCN(Cc3ccccc3)CC2)C1 ZINC001255473706 1143656421 /nfs/dbraw/zinc/65/64/21/1143656421.db2.gz WUFYAYAMUABMTJ-GOSISDBHSA-N 0 3 312.461 2.229 20 30 DEEDHN CSc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC001342047793 1143775943 /nfs/dbraw/zinc/77/59/43/1143775943.db2.gz COACODINXSJFTA-CQSZACIVSA-N 0 3 302.399 2.329 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC001342190734 1143802111 /nfs/dbraw/zinc/80/21/11/1143802111.db2.gz VQPXBVJHWXFAAL-HNNXBMFYSA-N 0 3 305.422 2.349 20 30 DEEDHN C=CCCC[C@@H](NC(=O)c1cc2c(s1)CNCC2)C(=O)OC ZINC001342516375 1143821368 /nfs/dbraw/zinc/82/13/68/1143821368.db2.gz ACDXNMNTANWWNY-GFCCVEGCSA-N 0 3 322.430 2.022 20 30 DEEDHN CC(C)CN(Cc1ccccn1)C(=O)[C@H](N)CCCCC#N ZINC001342613210 1143826589 /nfs/dbraw/zinc/82/65/89/1143826589.db2.gz KWJPNZXNUMKIFB-MRXNPFEDSA-N 0 3 302.422 2.477 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H](C)Cc2ccncc2)C1 ZINC001256752604 1143866074 /nfs/dbraw/zinc/86/60/74/1143866074.db2.gz MBLLBESZHIDPEC-GOEBONIOSA-N 0 3 303.406 2.389 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804026 1143867666 /nfs/dbraw/zinc/86/76/66/1143867666.db2.gz LCURYSWYSHSUGC-TUUVXOQKSA-N 0 3 306.406 2.416 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CCOC1)c1ccccc1CC ZINC001278969393 1143871082 /nfs/dbraw/zinc/87/10/82/1143871082.db2.gz JHFONMKSSFLZGB-AEFFLSMTSA-N 0 3 314.429 2.056 20 30 DEEDHN COc1cc(N2CCN(C3CCC(C#N)CC3)CC2)ccn1 ZINC001256971529 1143877493 /nfs/dbraw/zinc/87/74/93/1143877493.db2.gz UMNFEPJAJHDMLN-UHFFFAOYSA-N 0 3 300.406 2.295 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1C[C@H](C)O[C@@H](C)C1 ZINC001257095144 1143887117 /nfs/dbraw/zinc/88/71/17/1143887117.db2.gz SNLAHHVAHZQYIY-GRDNDAEWSA-N 0 3 319.449 2.478 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1C[C@@H](C)O[C@H](C)C1 ZINC001257095143 1143887134 /nfs/dbraw/zinc/88/71/34/1143887134.db2.gz SNLAHHVAHZQYIY-CKEIUWERSA-N 0 3 319.449 2.478 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001279001803 1143894415 /nfs/dbraw/zinc/89/44/15/1143894415.db2.gz DYPWDUAQWGWPQN-SUMWQHHRSA-N 0 3 321.469 2.336 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)C2CCCC2)CC1 ZINC001279055831 1143957735 /nfs/dbraw/zinc/95/77/35/1143957735.db2.gz BZBBYAPRPDPOCT-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN([C@H](C)Cc2cccnc2)C1 ZINC001258632934 1144028739 /nfs/dbraw/zinc/02/87/39/1144028739.db2.gz OLROVHVVMYTMHG-ZBFHGGJFSA-N 0 3 303.406 2.389 20 30 DEEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001299542613 1144052976 /nfs/dbraw/zinc/05/29/76/1144052976.db2.gz FDTZDHIDGLLNOV-WMZOPIPTSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)NC[C@]1(C)CCN(C(=O)CN(CC)CC)C1 ZINC001299610889 1144120127 /nfs/dbraw/zinc/12/01/27/1144120127.db2.gz HZULTSCTGVTQBZ-SFHVURJKSA-N 0 3 323.481 2.039 20 30 DEEDHN CCCCN(CC)CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260047351 1144172815 /nfs/dbraw/zinc/17/28/15/1144172815.db2.gz YOJKAMFKOQAFPY-UHFFFAOYSA-N 0 3 323.462 2.100 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC001262294047 1144304040 /nfs/dbraw/zinc/30/40/40/1144304040.db2.gz NCJQCADVSVNVJD-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCCCOC ZINC001262970543 1144346903 /nfs/dbraw/zinc/34/69/03/1144346903.db2.gz LHYHTIFTBZRMMT-OAHLLOKOSA-N 0 3 321.469 2.136 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC1(C(=O)NCCCC)CCCCC1 ZINC001263080937 1144354320 /nfs/dbraw/zinc/35/43/20/1144354320.db2.gz NATGIHBCNGBKAB-HNNXBMFYSA-N 0 3 323.481 2.405 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 ZINC001263088556 1144354670 /nfs/dbraw/zinc/35/46/70/1144354670.db2.gz LZGYOKIGODVJNS-UONOGXRCSA-N 0 3 315.417 2.316 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)ccc1N(C)C ZINC001263346398 1144371014 /nfs/dbraw/zinc/37/10/14/1144371014.db2.gz NMOFMYMCTDUWSD-WFASDCNBSA-N 0 3 320.412 2.480 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C=Cc1ccc(C(=O)OC)o1 ZINC001263615697 1144383648 /nfs/dbraw/zinc/38/36/48/1144383648.db2.gz CTTOPZFSVJEFMT-RNZFLTOJSA-N 0 3 313.313 2.172 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001263805833 1144396539 /nfs/dbraw/zinc/39/65/39/1144396539.db2.gz WZYZCHABMCIABL-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCc1ccncc1 ZINC001263812725 1144398623 /nfs/dbraw/zinc/39/86/23/1144398623.db2.gz SNNAUQPWOHPOPE-RDJZCZTQSA-N 0 3 317.433 2.096 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)C[C@@H]2CCN2CC)cc1 ZINC001263821031 1144400115 /nfs/dbraw/zinc/40/01/15/1144400115.db2.gz LDTYGSNEOZNLRL-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccn1 ZINC001263959799 1144433504 /nfs/dbraw/zinc/43/35/04/1144433504.db2.gz ZVQUQGPDETZYJG-JSGCOSHPSA-N 0 3 322.840 2.450 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccccc1 ZINC001264036893 1144446190 /nfs/dbraw/zinc/44/61/90/1144446190.db2.gz OJVSQQUQRCXCLV-KBAYOESNSA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2c(C)oc(C)c2C)C1 ZINC001264076420 1144457137 /nfs/dbraw/zinc/45/71/37/1144457137.db2.gz CWDNOIQNBJYLCG-INIZCTEOSA-N 0 3 320.433 2.290 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)[C@H]1C ZINC001264727425 1144601443 /nfs/dbraw/zinc/60/14/43/1144601443.db2.gz KONPYFTUYLSHGI-BPQIPLTHSA-N 0 3 315.461 2.444 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CCCO)[C@@H]2C)CCCCC1 ZINC001264733949 1144601771 /nfs/dbraw/zinc/60/17/71/1144601771.db2.gz VJKKBNWQALPYNP-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCn1cc(Cl)cn1 ZINC001264745449 1144605281 /nfs/dbraw/zinc/60/52/81/1144605281.db2.gz GKQWVBJRGJGEAH-HNNXBMFYSA-N 0 3 324.856 2.426 20 30 DEEDHN CC#CCN(CCCNC(=O)c1snnc1C(C)C)C1CC1 ZINC001265178879 1144661685 /nfs/dbraw/zinc/66/16/85/1144661685.db2.gz QNWMXHZVCXOZMO-UHFFFAOYSA-N 0 3 320.462 2.269 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001265219699 1144669891 /nfs/dbraw/zinc/66/98/91/1144669891.db2.gz AHVTXFMAEHFNKF-GOEBONIOSA-N 0 3 300.418 2.155 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCN1CCN(CC(=C)C)CC1 ZINC001265245021 1144675897 /nfs/dbraw/zinc/67/58/97/1144675897.db2.gz YPAWKHXDGHAUNU-UHFFFAOYSA-N 0 3 307.482 2.289 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@H](C)c2ccco2)CC1 ZINC001265249111 1144675955 /nfs/dbraw/zinc/67/59/55/1144675955.db2.gz GSKAWWXHYHKWJH-MRXNPFEDSA-N 0 3 319.449 2.083 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001265508699 1144708341 /nfs/dbraw/zinc/70/83/41/1144708341.db2.gz JTIDWVYOAMNEMQ-WKILWMFISA-N 0 3 320.408 2.464 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C=C2CCC2)C1 ZINC001265522651 1144708938 /nfs/dbraw/zinc/70/89/38/1144708938.db2.gz AFMNZJFCJCWVJV-ZWKOTPCHSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001265586491 1144715419 /nfs/dbraw/zinc/71/54/19/1144715419.db2.gz IDHSKNDMVAIPKX-SJORKVTESA-N 0 3 318.461 2.187 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001265706470 1144732199 /nfs/dbraw/zinc/73/21/99/1144732199.db2.gz WNKGAMAJLGLRGB-SJORKVTESA-N 0 3 320.477 2.455 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](C)NCc1ccc(C)nc1C ZINC001265810680 1144742917 /nfs/dbraw/zinc/74/29/17/1144742917.db2.gz CXIWDLYKTBUCRU-OAHLLOKOSA-N 0 3 301.434 2.486 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001265865339 1144749109 /nfs/dbraw/zinc/74/91/09/1144749109.db2.gz YJFRQBFFKOSVCE-QGZVFWFLSA-N 0 3 313.445 2.072 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccncc1C(F)(F)F ZINC001265948634 1144766689 /nfs/dbraw/zinc/76/66/89/1144766689.db2.gz XUDMPFHERLUWLG-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001266055708 1144801086 /nfs/dbraw/zinc/80/10/86/1144801086.db2.gz INPGTWKYWYCUPT-KBPBESRZSA-N 0 3 305.447 2.464 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(CC)[C@@H]1CCN(C(C)C)C1=O ZINC001266070081 1144802447 /nfs/dbraw/zinc/80/24/47/1144802447.db2.gz MUGPRMPCZDIQFO-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccnc3ccncc32)C1 ZINC001266105381 1144805927 /nfs/dbraw/zinc/80/59/27/1144805927.db2.gz MUBPOYLOKSJXDC-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN Cc1nc(C)c(CN(CCCNC(=O)[C@H](C)C#N)C2CC2)s1 ZINC001266126331 1144807981 /nfs/dbraw/zinc/80/79/81/1144807981.db2.gz UDZFFYUELYFWGC-LLVKDONJSA-N 0 3 320.462 2.390 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCCC2CCOCC2)C1 ZINC001266222057 1144815746 /nfs/dbraw/zinc/81/57/46/1144815746.db2.gz MYOMTNPXJRBNIV-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCCCC(=O)N(C)C1CC(NCc2snnc2C)C1 ZINC001279274263 1144819911 /nfs/dbraw/zinc/81/99/11/1144819911.db2.gz USHHAEZOGXFFIS-UHFFFAOYSA-N 0 3 320.462 2.119 20 30 DEEDHN CC#CCCCC(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC001279274165 1144820004 /nfs/dbraw/zinc/82/00/04/1144820004.db2.gz QMIPYODESYMFIW-UHFFFAOYSA-N 0 3 303.406 2.256 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)/C=C/c1ccc[nH]1 ZINC001279304554 1144820474 /nfs/dbraw/zinc/82/04/74/1144820474.db2.gz KTYUYCWKOIEWMD-ZHACJKMWSA-N 0 3 307.397 2.280 20 30 DEEDHN C=C(C)CCC(=O)NC1(C2CCN(CC#CCOC)CC2)CC1 ZINC001279359882 1144821213 /nfs/dbraw/zinc/82/12/13/1144821213.db2.gz AXLFGUDXMXLXQZ-UHFFFAOYSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCCn2cccn2)cc1 ZINC001280356500 1144836480 /nfs/dbraw/zinc/83/64/80/1144836480.db2.gz JKVXFWRIOBLFPT-INIZCTEOSA-N 0 3 324.428 2.264 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC001280833217 1144858706 /nfs/dbraw/zinc/85/87/06/1144858706.db2.gz VCIPWMAVAUXYPU-UHFFFAOYSA-N 0 3 312.417 2.060 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc2c1O[C@H](C)C2 ZINC001280836216 1144858885 /nfs/dbraw/zinc/85/88/85/1144858885.db2.gz SVXIGQJCEIFVHN-OAHLLOKOSA-N 0 3 314.429 2.427 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001281437177 1144889576 /nfs/dbraw/zinc/88/95/76/1144889576.db2.gz ZDGXMUPFYAMNJB-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)c3ccoc3)CC2)C1 ZINC001281567916 1144897969 /nfs/dbraw/zinc/89/79/69/1144897969.db2.gz RGTPJUQOOSDERI-HNNXBMFYSA-N 0 3 317.433 2.076 20 30 DEEDHN C=C(C)CCC(=O)N1CCN(C2CN(C[C@H](C)CC)C2)CC1 ZINC001281578000 1144898310 /nfs/dbraw/zinc/89/83/10/1144898310.db2.gz QRKQFJJULUJPCU-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN CC/C=C/CCN1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001281784498 1144913994 /nfs/dbraw/zinc/91/39/94/1144913994.db2.gz VNAKGVBWUMOAKB-APHBUQMISA-N 0 3 319.449 2.196 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)Cc2ccc(C)s2)CC1 ZINC001281820803 1144915119 /nfs/dbraw/zinc/91/51/19/1144915119.db2.gz MYSSEYFDGSEHMI-UHFFFAOYSA-N 0 3 322.474 2.118 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)o1 ZINC001281920169 1144920172 /nfs/dbraw/zinc/92/01/72/1144920172.db2.gz TUEOMWCPGPMKJV-HNNXBMFYSA-N 0 3 306.406 2.327 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1ccn(C)c1C ZINC001281956791 1144924211 /nfs/dbraw/zinc/92/42/11/1144924211.db2.gz LSJVMCFFDWLALU-MRXNPFEDSA-N 0 3 319.449 2.073 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(OC)cc1 ZINC001281970619 1144925840 /nfs/dbraw/zinc/92/58/40/1144925840.db2.gz XDALHVVNPQCUAU-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)n1C ZINC001282096035 1144975639 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CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001317528723 1147720612 /nfs/dbraw/zinc/72/06/12/1147720612.db2.gz UHMHLRYJWNMFBI-CVEARBPZSA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001317537692 1147722142 /nfs/dbraw/zinc/72/21/42/1147722142.db2.gz ZXUXDBSTVOQPPW-HUUCEWRRSA-N 0 3 302.393 2.391 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1conc1C(F)(F)F)C1CC1 ZINC001317555763 1147724444 /nfs/dbraw/zinc/72/44/44/1147724444.db2.gz RXTWXJPADMTCRR-UHFFFAOYSA-N 0 3 317.311 2.464 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001317580832 1147728800 /nfs/dbraw/zinc/72/88/00/1147728800.db2.gz WRPHDFWHAYUNIL-QLPKVWCKSA-N 0 3 315.392 2.291 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCN[C@@H](C)C(=O)N(CC)CC)CC1 ZINC001317622744 1147734413 /nfs/dbraw/zinc/73/44/13/1147734413.db2.gz BPYAQNVZYIKMAG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cccn1C ZINC001367790838 1147745563 /nfs/dbraw/zinc/74/55/63/1147745563.db2.gz WGNPRTXMXHUOGA-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)c1ccccc1 ZINC001317725360 1147747350 /nfs/dbraw/zinc/74/73/50/1147747350.db2.gz SRVHYWAPGRANQM-BRWVUGGUSA-N 0 3 324.428 2.157 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)Cc1ccco1 ZINC001367853705 1147761423 /nfs/dbraw/zinc/76/14/23/1147761423.db2.gz WXJXDWYPIJDLFT-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(C)c1 ZINC001318196485 1147794571 /nfs/dbraw/zinc/79/45/71/1147794571.db2.gz VBWIPNPZUVVMTM-KBMXLJTQSA-N 0 3 300.406 2.038 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1 ZINC001318222867 1147800385 /nfs/dbraw/zinc/80/03/85/1147800385.db2.gz BMSAFTIAJKQMJW-HOTGVXAUSA-N 0 3 302.422 2.329 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](OC(C)C)c2ccccc2)C1 ZINC001318310004 1147809668 /nfs/dbraw/zinc/80/96/68/1147809668.db2.gz CPEINGRSOBWEHS-ROUUACIJSA-N 0 3 314.429 2.367 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](OC(C)C)c2ccccc2)C1 ZINC001318376181 1147817389 /nfs/dbraw/zinc/81/73/89/1147817389.db2.gz CPEINGRSOBWEHS-MSOLQXFVSA-N 0 3 314.429 2.367 20 30 DEEDHN COc1cc(CNC2(CNC(=O)[C@@H](C)C#N)CC2)ccc1Cl ZINC001367992893 1147821361 /nfs/dbraw/zinc/82/13/61/1147821361.db2.gz QTMHRQMIJAKINO-NSHDSACASA-N 0 3 321.808 2.247 20 30 DEEDHN CC1(C)C[C@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001367995684 1147822142 /nfs/dbraw/zinc/82/21/42/1147822142.db2.gz CQKUSAGJFZDJAF-AWEZNQCLSA-N 0 3 315.392 2.482 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001318403629 1147822148 /nfs/dbraw/zinc/82/21/48/1147822148.db2.gz UPWLTJYMYUWVKX-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN Cc1ccn(C)c1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001367995561 1147822472 /nfs/dbraw/zinc/82/24/72/1147822472.db2.gz HHNPVUORBCVCSG-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001324655695 1147826385 /nfs/dbraw/zinc/82/63/85/1147826385.db2.gz HRGYTQRQWWSNOO-SFHVURJKSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(F)ccc2F)CC1 ZINC001324870376 1147854603 /nfs/dbraw/zinc/85/46/03/1147854603.db2.gz XYXOJHBULMINHQ-UHFFFAOYSA-N 0 3 306.356 2.430 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ncsc2C2CC2)CC1 ZINC001324887180 1147855684 /nfs/dbraw/zinc/85/56/84/1147855684.db2.gz SETJZEFEIYGYMN-UHFFFAOYSA-N 0 3 317.458 2.486 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(CC)ccn2)C1 ZINC001324935831 1147860148 /nfs/dbraw/zinc/86/01/48/1147860148.db2.gz HCZSDVAAADXSSC-IBGZPJMESA-N 0 3 313.445 2.499 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccncn1)c1ccccc1CC ZINC001325367350 1147897043 /nfs/dbraw/zinc/89/70/43/1147897043.db2.gz UEQVBZDUTCQAAQ-KRWDZBQOSA-N 0 3 310.401 2.286 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](CNCc2ccn(CC)n2)C1 ZINC001325551637 1147944452 /nfs/dbraw/zinc/94/44/52/1147944452.db2.gz CNROMBMSNGXEQN-CVEARBPZSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001325562522 1147950868 /nfs/dbraw/zinc/95/08/68/1147950868.db2.gz SXCCRICEIWJTBE-GJZGRUSLSA-N 0 3 318.465 2.207 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001325864961 1148010177 /nfs/dbraw/zinc/01/01/77/1148010177.db2.gz KLOHYLHUNQORSS-APWZRJJASA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)co1 ZINC001325900335 1148017462 /nfs/dbraw/zinc/01/74/62/1148017462.db2.gz UFRTVTGGUATMSO-HOTGVXAUSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CCNCc2cnns2)C1 ZINC001326275762 1148068701 /nfs/dbraw/zinc/06/87/01/1148068701.db2.gz SDZRRHJOEIQJIX-ZDUSSCGKSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cnc(C)nc2C)C1 ZINC001326387215 1148089907 /nfs/dbraw/zinc/08/99/07/1148089907.db2.gz NYXYDKZZYUCPHV-AWEZNQCLSA-N 0 3 322.840 2.288 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1csnn1 ZINC001326458157 1148106716 /nfs/dbraw/zinc/10/67/16/1148106716.db2.gz LVAMTIXOGYUSFK-UHFFFAOYSA-N 0 3 316.430 2.476 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(COCC)CC2)cc1 ZINC001326467863 1148108114 /nfs/dbraw/zinc/10/81/14/1148108114.db2.gz HRHLCXZYBCZWEK-OAHLLOKOSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCO[C@H]1C ZINC001326495288 1148115634 /nfs/dbraw/zinc/11/56/34/1148115634.db2.gz RISSTCJSIBUGMS-YOEHRIQHSA-N 0 3 302.418 2.346 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)OC2CCCCCC2)CCC1 ZINC001326890342 1148281892 /nfs/dbraw/zinc/28/18/92/1148281892.db2.gz XFTYLTYFCJLXTB-HNNXBMFYSA-N 0 3 306.450 2.376 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000424106489 230596627 /nfs/dbraw/zinc/59/66/27/230596627.db2.gz XPSAUVCSTQIFRZ-QWHCGFSZSA-N 0 3 307.781 2.301 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCC[C@@H](C)C1 ZINC000612121486 361751534 /nfs/dbraw/zinc/75/15/34/361751534.db2.gz VWBBQCPNVYBQAV-INMHGKMJSA-N 0 3 306.454 2.442 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612120655 361751555 /nfs/dbraw/zinc/75/15/55/361751555.db2.gz GHEPALUNMCNZHG-QGZVFWFLSA-N 0 3 304.438 2.362 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1C[C@H](OC)C1)C(C)C ZINC000624978792 365605190 /nfs/dbraw/zinc/60/51/90/365605190.db2.gz RTHPXVQJYAVRGR-JYJNAYRXSA-N 0 3 309.454 2.162 20 30 DEEDHN CC[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(C#N)cc1 ZINC000447586769 529616277 /nfs/dbraw/zinc/61/62/77/529616277.db2.gz OQYQJJQVIIKSHX-ULQDDVLXSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C)nc1CC)C(C)C ZINC000092457544 185319927 /nfs/dbraw/zinc/31/99/27/185319927.db2.gz ZOHMGADKJVTEDO-KRWDZBQOSA-N 0 3 318.465 2.411 20 30 DEEDHN CN(CCC#N)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000371498140 529867890 /nfs/dbraw/zinc/86/78/90/529867890.db2.gz VUZFPAWMFFAHLV-HNNXBMFYSA-N 0 3 303.381 2.410 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(N)=O)c1)c1ccc2ccccc2n1 ZINC000614381778 362367161 /nfs/dbraw/zinc/36/71/61/362367161.db2.gz YQRDYFIHOYXKNB-LBPRGKRZSA-N 0 3 304.309 2.152 20 30 DEEDHN N#Cc1cc(CN2CC[C@]3(C2)c2ccccc2NC3=O)ccn1 ZINC000614585355 362414406 /nfs/dbraw/zinc/41/44/06/362414406.db2.gz SOXRNHBNOVRWDY-SFHVURJKSA-N 0 3 304.353 2.049 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000614876524 362481453 /nfs/dbraw/zinc/48/14/53/362481453.db2.gz ZABWKJFWEQAXMP-SJLPKXTDSA-N 0 3 320.433 2.130 20 30 DEEDHN C=CCOc1ccc(CNCCc2nncn2CC)cc1OC ZINC000085325735 539399822 /nfs/dbraw/zinc/39/98/22/539399822.db2.gz WBUVPIXGVFWDQM-UHFFFAOYSA-N 0 3 316.405 2.204 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000615794512 362704088 /nfs/dbraw/zinc/70/40/88/362704088.db2.gz DUTDCDCBQQSONO-OWCLPIDISA-N 0 3 319.449 2.076 20 30 DEEDHN C#CCCN1CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279718844 215089550 /nfs/dbraw/zinc/08/95/50/215089550.db2.gz MDZBRPBQKMHTLB-OAQYLSRUSA-N 0 3 322.452 2.384 20 30 DEEDHN CC1(C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)OCCO1 ZINC000268738500 186373492 /nfs/dbraw/zinc/37/34/92/186373492.db2.gz PIDVKFASAKIZCS-QGZVFWFLSA-N 0 3 316.401 2.067 20 30 DEEDHN C[C@@H](c1ccccc1)[C@H](NCCc1ccc(C#N)cc1)C(N)=O ZINC000595501813 358466176 /nfs/dbraw/zinc/46/61/76/358466176.db2.gz NFMNPAMUDZFJTM-KSSFIOAISA-N 0 3 307.397 2.348 20 30 DEEDHN CC(C)Oc1ccc(NC(=O)N[C@@H](C)CN(C)C)cc1C#N ZINC000287230551 219393338 /nfs/dbraw/zinc/39/33/38/219393338.db2.gz VKLCHNKIWWLFHS-LBPRGKRZSA-N 0 3 304.394 2.417 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000072895652 191248407 /nfs/dbraw/zinc/24/84/07/191248407.db2.gz VQPOVPRVBQQILV-IRXDYDNUSA-N 0 3 315.461 2.274 20 30 DEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000072945379 191254513 /nfs/dbraw/zinc/25/45/13/191254513.db2.gz UASUERAQYIWFEV-UONOGXRCSA-N 0 3 302.353 2.398 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c(F)c1 ZINC000331983215 234349755 /nfs/dbraw/zinc/34/97/55/234349755.db2.gz SVKOWSSTUVQJSI-OIISXLGYSA-N 0 3 304.365 2.059 20 30 DEEDHN CCN1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000595536564 358477236 /nfs/dbraw/zinc/47/72/36/358477236.db2.gz ZPUWURJWBTTYON-LBPRGKRZSA-N 0 3 318.421 2.123 20 30 DEEDHN CN(C)C(=O)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000182177794 199398039 /nfs/dbraw/zinc/39/80/39/199398039.db2.gz CBXNGVXYQBQCDS-UHFFFAOYSA-N 0 3 315.417 2.127 20 30 DEEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)N(C)C)c1C#N ZINC000025149099 354070823 /nfs/dbraw/zinc/07/08/23/354070823.db2.gz MYBAGEYVGKGCIU-SNVBAGLBSA-N 0 3 318.446 2.232 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000027118403 354088868 /nfs/dbraw/zinc/08/88/68/354088868.db2.gz NTBALEGNHWWRGY-UHFFFAOYSA-N 0 3 318.446 2.118 20 30 DEEDHN CN(Cc1cccs1)C[C@@H](O)COc1ccccc1C#N ZINC000035717384 354163268 /nfs/dbraw/zinc/16/32/68/354163268.db2.gz SGOWURJIGHZTIV-CQSZACIVSA-N 0 3 302.399 2.491 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCO1 ZINC000047011551 354301900 /nfs/dbraw/zinc/30/19/00/354301900.db2.gz RCLHCZFAKVENMJ-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(C3CC3)n2)CC1 ZINC000069703807 354874234 /nfs/dbraw/zinc/87/42/34/354874234.db2.gz JDDXHUUSBSISBZ-UHFFFAOYSA-N 0 3 300.406 2.124 20 30 DEEDHN C[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000074161369 355010260 /nfs/dbraw/zinc/01/02/60/355010260.db2.gz PXKGVYRINXXIQS-UKRRQHHQSA-N 0 3 300.406 2.260 20 30 DEEDHN CNC(=O)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000074371722 355025280 /nfs/dbraw/zinc/02/52/80/355025280.db2.gz WXRPSWUZRFUQTB-UHFFFAOYSA-N 0 3 323.396 2.363 20 30 DEEDHN CCOC1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000077269080 355195142 /nfs/dbraw/zinc/19/51/42/355195142.db2.gz DUCNKXZFEYYQCN-UHFFFAOYSA-N 0 3 304.390 2.447 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@@H](OCC)C(C)C)CC1 ZINC000074877473 191377498 /nfs/dbraw/zinc/37/74/98/191377498.db2.gz SPCHAGWLKREOFK-MRXNPFEDSA-N 0 3 311.470 2.387 20 30 DEEDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCC[C@H](C)C1 ZINC000079905902 355335516 /nfs/dbraw/zinc/33/55/16/355335516.db2.gz QRBOQQYTLNYGNI-RYUDHWBXSA-N 0 3 303.366 2.394 20 30 DEEDHN N#Cc1nc(NC2CCN([C@H]3CCOC3)CC2)ccc1Cl ZINC000089602827 355538521 /nfs/dbraw/zinc/53/85/21/355538521.db2.gz BUCKEUGKXMMRFX-LBPRGKRZSA-N 0 3 306.797 2.272 20 30 DEEDHN N#Cc1ccccc1OCCN(CCO)CCc1ccccc1 ZINC000112698877 355755440 /nfs/dbraw/zinc/75/54/40/355755440.db2.gz UVSVHEZNGAEKLW-UHFFFAOYSA-N 0 3 310.397 2.474 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@]1(C)CO)C(C)C ZINC000124526219 355808764 /nfs/dbraw/zinc/80/87/64/355808764.db2.gz AVKVHBCXGJGYEV-SJLPKXTDSA-N 0 3 323.481 2.241 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000125935127 355814274 /nfs/dbraw/zinc/81/42/74/355814274.db2.gz MDLQOCDYGFBBCU-QGZVFWFLSA-N 0 3 312.417 2.184 20 30 DEEDHN CC1(C)CN(CC#Cc2ccc(Cl)cc2)CCN1CCO ZINC000682035011 542254378 /nfs/dbraw/zinc/25/43/78/542254378.db2.gz PQRIYMRZPRZDML-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCN(c2ccncc2)CC1 ZINC000156976495 355953473 /nfs/dbraw/zinc/95/34/73/355953473.db2.gz JFSFBDMENHPIKK-UHFFFAOYSA-N 0 3 308.385 2.284 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000182294585 356119652 /nfs/dbraw/zinc/11/96/52/356119652.db2.gz VEGNYWKLUPGDTG-GOEBONIOSA-N 0 3 300.406 2.282 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000183224227 356163204 /nfs/dbraw/zinc/16/32/04/356163204.db2.gz GQJKVKUPDQRJCM-INIZCTEOSA-N 0 3 303.406 2.294 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618355178 363470909 /nfs/dbraw/zinc/47/09/09/363470909.db2.gz QVUWXYFWVPJXDT-SFHVURJKSA-N 0 3 316.445 2.355 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000351092381 356612170 /nfs/dbraw/zinc/61/21/70/356612170.db2.gz CDJXJMCNIIUMBM-SJCJKPOMSA-N 0 3 312.373 2.478 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000351124964 356618375 /nfs/dbraw/zinc/61/83/75/356618375.db2.gz XLTFRUNCROFCMX-SJCJKPOMSA-N 0 3 312.373 2.478 20 30 DEEDHN COCC(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000618561969 363528411 /nfs/dbraw/zinc/52/84/11/363528411.db2.gz MCHNLMAYMNHOPM-DZGCQCFKSA-N 0 3 301.390 2.443 20 30 DEEDHN Cc1cc(CN2CCN([C@H]3CCCN(C)C3)CC2)ccc1C#N ZINC000618593819 363542643 /nfs/dbraw/zinc/54/26/43/363542643.db2.gz YSSFTLKOGPPGID-IBGZPJMESA-N 0 3 312.461 2.079 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccccc1C#N)[C@H](C)COC ZINC000595639880 358510249 /nfs/dbraw/zinc/51/02/49/358510249.db2.gz YOJXOOZIKUYKRF-CQSZACIVSA-N 0 3 301.390 2.410 20 30 DEEDHN N#CC1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000578590960 356839025 /nfs/dbraw/zinc/83/90/25/356839025.db2.gz GZAUHYUPGMJQDV-MRXNPFEDSA-N 0 3 312.417 2.426 20 30 DEEDHN CCCN(CCN1CCCCCC1)C(=O)c1cnn(C)c1C#N ZINC000345332130 283256341 /nfs/dbraw/zinc/25/63/41/283256341.db2.gz WOQJGDDWZJXMDU-UHFFFAOYSA-N 0 3 317.437 2.020 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCCS(=O)(=O)C1 ZINC000588231340 357402601 /nfs/dbraw/zinc/40/26/01/357402601.db2.gz DSENGIKJZCJCJY-PBHICJAKSA-N 0 3 318.442 2.350 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(C(=O)CCCCCC#N)C2)CC1 ZINC000588646703 357414509 /nfs/dbraw/zinc/41/45/09/357414509.db2.gz COYIKJNPLPXHIZ-QGZVFWFLSA-N 0 3 320.481 2.087 20 30 DEEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(C#N)n1)c1ccco1 ZINC000589521167 357476607 /nfs/dbraw/zinc/47/66/07/357476607.db2.gz KMGZMQZZJNUSHR-DOMZBBRYSA-N 0 3 312.373 2.405 20 30 DEEDHN COC(=O)C(C)(C)[C@H](NCCOCCC#N)c1ccccc1 ZINC000590172819 357524739 /nfs/dbraw/zinc/52/47/39/357524739.db2.gz LTKDCLIMWLTQEE-OAHLLOKOSA-N 0 3 304.390 2.447 20 30 DEEDHN Cc1cc(NC(=O)C2CN(C3CCCCC3)C2)n(CCC#N)n1 ZINC000590904212 357639901 /nfs/dbraw/zinc/63/99/01/357639901.db2.gz TXCAINDZLRPSTC-UHFFFAOYSA-N 0 3 315.421 2.308 20 30 DEEDHN C[C@@](CO)(NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000591014027 357660665 /nfs/dbraw/zinc/66/06/65/357660665.db2.gz SBNQZMUWFKNJQK-IBGZPJMESA-N 0 3 323.396 2.384 20 30 DEEDHN Cc1cc(N2CCN(c3ccncc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000591136901 357679108 /nfs/dbraw/zinc/67/91/08/357679108.db2.gz KUPRENVGSXGPRK-UHFFFAOYSA-N 0 3 323.356 2.497 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000591311367 357705228 /nfs/dbraw/zinc/70/52/28/357705228.db2.gz MSCMDTRHHSBJEA-QGZVFWFLSA-N 0 3 314.389 2.326 20 30 DEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1Cl ZINC000591573370 357736439 /nfs/dbraw/zinc/73/64/39/357736439.db2.gz QBICSLQTHHXACH-HOTGVXAUSA-N 0 3 305.809 2.068 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000179371595 199023323 /nfs/dbraw/zinc/02/33/23/199023323.db2.gz PGIHDMKQCCSMGO-INIZCTEOSA-N 0 3 301.386 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCC2CC(OC)C2)CC1 ZINC000660597389 540310105 /nfs/dbraw/zinc/31/01/05/540310105.db2.gz AGYMBHHVNNZCNB-UHFFFAOYSA-N 0 3 309.454 2.141 20 30 DEEDHN Cc1ccc(CN2CC[C@](O)(CC#N)C2)c(-c2ccnn2C)c1 ZINC000592522443 357893916 /nfs/dbraw/zinc/89/39/16/357893916.db2.gz NGNSCUGJDFXVAW-GOSISDBHSA-N 0 3 310.401 2.246 20 30 DEEDHN CC[C@H](C)C[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592875700 357967661 /nfs/dbraw/zinc/96/76/61/357967661.db2.gz VFQYAIVGWBWAAJ-RRQGHBQHSA-N 0 3 313.401 2.154 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2OC)C[C@H]1C1CC1 ZINC000593132190 358017950 /nfs/dbraw/zinc/01/79/50/358017950.db2.gz ZTYBSUAWAIQDJY-JKSUJKDBSA-N 0 3 314.385 2.198 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000593281115 358047491 /nfs/dbraw/zinc/04/74/91/358047491.db2.gz FZUCTYYZMYZANZ-RRQGHBQHSA-N 0 3 311.385 2.266 20 30 DEEDHN CCOC(=O)CN(CCc1ccccc1)C(=O)C(C#N)CC ZINC000593463481 358084279 /nfs/dbraw/zinc/08/42/79/358084279.db2.gz WUJJLTJOPYAYMO-HNNXBMFYSA-N 0 3 302.374 2.171 20 30 DEEDHN C[C@@H](CCO)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000593694663 358125943 /nfs/dbraw/zinc/12/59/43/358125943.db2.gz PLDHZHYUDNCHKH-AWEZNQCLSA-N 0 3 313.405 2.061 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000594317696 358242749 /nfs/dbraw/zinc/24/27/49/358242749.db2.gz DDGSDACMDSFPKC-GLJUWKHASA-N 0 3 311.429 2.336 20 30 DEEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCCn4ccnc43)CC2)nc1 ZINC000594495776 358283564 /nfs/dbraw/zinc/28/35/64/358283564.db2.gz VXODTSHFVAPGME-MRXNPFEDSA-N 0 3 322.416 2.243 20 30 DEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@]1(C)CO ZINC000595871047 358568147 /nfs/dbraw/zinc/56/81/47/358568147.db2.gz HOAZJRDMHFELAC-AUUYWEPGSA-N 0 3 324.428 2.409 20 30 DEEDHN CN(C)C1(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCC1 ZINC000618829659 363612407 /nfs/dbraw/zinc/61/24/07/363612407.db2.gz FWNBXSMJXCEYSE-MRXNPFEDSA-N 0 3 312.417 2.329 20 30 DEEDHN N#Cc1cccc(NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000181143513 199256372 /nfs/dbraw/zinc/25/63/72/199256372.db2.gz LZHXVBDHRLDTIU-QGZVFWFLSA-N 0 3 308.385 2.132 20 30 DEEDHN Cc1ncc(CN(CCN(C)C)Cc2ccc(C#N)cc2)n1C ZINC000597126046 358829532 /nfs/dbraw/zinc/82/95/32/358829532.db2.gz CBFNCYHJPHYANR-UHFFFAOYSA-N 0 3 311.433 2.164 20 30 DEEDHN C[C@H]1CN(CCCNC(=O)CC2(C#N)CCCCC2)CCCO1 ZINC000597571240 358952719 /nfs/dbraw/zinc/95/27/19/358952719.db2.gz JDJSLERGULASPA-INIZCTEOSA-N 0 3 321.465 2.468 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)COc1ccccc1C#N ZINC000598265535 359142290 /nfs/dbraw/zinc/14/22/90/359142290.db2.gz UEFYBBAGSJXQLW-HNNXBMFYSA-N 0 3 315.417 2.174 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](CO)CC1CC1 ZINC000598293696 359154134 /nfs/dbraw/zinc/15/41/34/359154134.db2.gz SSGWRVDEUJZLKA-IAGOWNOFSA-N 0 3 300.402 2.284 20 30 DEEDHN CCCN1CC[C@H](NC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000598342517 359170004 /nfs/dbraw/zinc/17/00/04/359170004.db2.gz OFYXCZVTKFANON-HNNXBMFYSA-N 0 3 310.401 2.379 20 30 DEEDHN CCCN1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000598342742 359170363 /nfs/dbraw/zinc/17/03/63/359170363.db2.gz PUHPFQWIUZYLMV-HNNXBMFYSA-N 0 3 324.384 2.427 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)CC(C)(C)C#N ZINC000598585603 359250224 /nfs/dbraw/zinc/25/02/24/359250224.db2.gz GWACCZSXIZDMAF-XQLPTFJDSA-N 0 3 308.422 2.093 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000598596673 359255250 /nfs/dbraw/zinc/25/52/50/359255250.db2.gz SGAYLRPZXPUFQJ-MRXNPFEDSA-N 0 3 321.465 2.012 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000598598433 359256193 /nfs/dbraw/zinc/25/61/93/359256193.db2.gz FIAPHSMUWWHXIC-OWCLPIDISA-N 0 3 306.381 2.234 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(N2CCCC2=O)c1 ZINC000598715997 359302940 /nfs/dbraw/zinc/30/29/40/359302940.db2.gz XIUIUTLALKOLKE-INIZCTEOSA-N 0 3 315.417 2.204 20 30 DEEDHN COc1ccc2c(c1)OCC[C@@H]2NC[C@@H](O)CC(C)(C)C#N ZINC000598722254 359305785 /nfs/dbraw/zinc/30/57/85/359305785.db2.gz ZKGWZEMQNRACKA-WFASDCNBSA-N 0 3 304.390 2.409 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccnc(C(F)(F)F)c1 ZINC000598726768 359306732 /nfs/dbraw/zinc/30/67/32/359306732.db2.gz BEKYDBVXHUXSPR-LLVKDONJSA-N 0 3 301.312 2.491 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCN(C2CCCCC2)C1=O ZINC000598723487 359306925 /nfs/dbraw/zinc/30/69/25/359306925.db2.gz IJNWVOBYIWYADH-CVEARBPZSA-N 0 3 321.465 2.200 20 30 DEEDHN Cc1cc(CNC[C@@H](O)CC(C)(C)C#N)cc(N2CCCC2)n1 ZINC000598727881 359307722 /nfs/dbraw/zinc/30/77/22/359307722.db2.gz KSIPJPHGXHOSGV-INIZCTEOSA-N 0 3 316.449 2.381 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cnccc1C(F)(F)F ZINC000598728670 359307804 /nfs/dbraw/zinc/30/78/04/359307804.db2.gz FBPMGGNHCYQVMP-LLVKDONJSA-N 0 3 301.312 2.491 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000598622610 359264517 /nfs/dbraw/zinc/26/45/17/359264517.db2.gz RKHMXPVLZYWJSP-AEFFLSMTSA-N 0 3 315.461 2.493 20 30 DEEDHN COC[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000598624466 359265375 /nfs/dbraw/zinc/26/53/75/359265375.db2.gz DATDMHPTKNUADM-ZBFHGGJFSA-N 0 3 306.406 2.273 20 30 DEEDHN CC[C@H](CO)N(CC(=O)NCC#N)C1CCC(C(C)(C)C)CC1 ZINC000599497319 359511567 /nfs/dbraw/zinc/51/15/67/359511567.db2.gz ORMUFIMDJAFEOX-HWOWSKLDSA-N 0 3 323.481 2.304 20 30 DEEDHN CCC(O)(CC)CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599683539 359570723 /nfs/dbraw/zinc/57/07/23/359570723.db2.gz WPCNLWSTCLBQIX-CQSZACIVSA-N 0 3 309.454 2.200 20 30 DEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC1(N(C)C)CCC1 ZINC000187880666 200171091 /nfs/dbraw/zinc/17/10/91/200171091.db2.gz GQYVNKUJXLACGM-AWEZNQCLSA-N 0 3 314.433 2.301 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(NC(C)=O)c2C)CC1 ZINC000188454765 200249160 /nfs/dbraw/zinc/24/91/60/200249160.db2.gz ZMNNCLREMKHLNG-UHFFFAOYSA-N 0 3 315.417 2.334 20 30 DEEDHN N#Cc1cc(F)cc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000600956072 359870861 /nfs/dbraw/zinc/87/08/61/359870861.db2.gz VSTCHVBPCGWUEB-SECBINFHSA-N 0 3 301.199 2.075 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668543516 540684116 /nfs/dbraw/zinc/68/41/16/540684116.db2.gz WGMXYPGJUUZQAM-HOCLYGCPSA-N 0 3 300.402 2.352 20 30 DEEDHN Cc1cccc(CN2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC000601240749 359977920 /nfs/dbraw/zinc/97/79/20/359977920.db2.gz PIYBTFLFDIPWMY-MRXNPFEDSA-N 0 3 308.385 2.199 20 30 DEEDHN Cc1ccn(C)c1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000189051369 200341252 /nfs/dbraw/zinc/34/12/52/200341252.db2.gz PYHGLZOCITWLLY-UHFFFAOYSA-N 0 3 324.428 2.409 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCCN(C)C ZINC000601307479 360001530 /nfs/dbraw/zinc/00/15/30/360001530.db2.gz ASOBEGZHGUSJOE-UHFFFAOYSA-N 0 3 323.462 2.052 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H](C)CN(CC)CC ZINC000668624471 540700252 /nfs/dbraw/zinc/70/02/52/540700252.db2.gz ORIHMUWWOJKXHC-ARFHVFGLSA-N 0 3 323.481 2.084 20 30 DEEDHN CSC[C@@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602334454 360343026 /nfs/dbraw/zinc/34/30/26/360343026.db2.gz QRSKAYLZHSRLNK-DOTOQJQBSA-N 0 3 317.458 2.270 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000602427492 360367336 /nfs/dbraw/zinc/36/73/36/360367336.db2.gz JIXAXGVWLZQFHW-AWEZNQCLSA-N 0 3 319.453 2.475 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCCOc2ccc(C#N)cc2)C1(C)C ZINC000189995931 200471719 /nfs/dbraw/zinc/47/17/19/200471719.db2.gz FVUMSPUWQWBVGT-FUHWJXTLSA-N 0 3 318.417 2.093 20 30 DEEDHN CCC(C#N)(CC)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000602508542 360409045 /nfs/dbraw/zinc/40/90/45/360409045.db2.gz CTDZWYYEKHGQED-DZGCQCFKSA-N 0 3 303.381 2.409 20 30 DEEDHN CC(C)CN1CCO[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512228 360411256 /nfs/dbraw/zinc/41/12/56/360411256.db2.gz YAQNHAMWRFGJCC-DLBZAZTESA-N 0 3 323.481 2.032 20 30 DEEDHN Cn1ccnc1[C@H](NCCc1ccc(C#N)cc1)C(C)(C)CO ZINC000602880479 360606061 /nfs/dbraw/zinc/60/60/61/360606061.db2.gz GGNNYFBLCRFNTA-INIZCTEOSA-N 0 3 312.417 2.184 20 30 DEEDHN N#Cc1cc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1F ZINC000602891785 360612814 /nfs/dbraw/zinc/61/28/14/360612814.db2.gz PCXKULNHVPIKCZ-DLBZAZTESA-N 0 3 318.392 2.497 20 30 DEEDHN Cc1[nH]ncc1CN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000602943085 360636983 /nfs/dbraw/zinc/63/69/83/360636983.db2.gz OGQROAUGZDDZTR-UHFFFAOYSA-N 0 3 317.780 2.314 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000603082016 360693244 /nfs/dbraw/zinc/69/32/44/360693244.db2.gz QWVUBDDZFSLXQT-UHFFFAOYSA-N 0 3 302.353 2.446 20 30 DEEDHN N#Cc1csc(C(=O)N2CCCN(c3ccncc3)CC2)c1 ZINC000603084883 360694137 /nfs/dbraw/zinc/69/41/37/360694137.db2.gz XRGFDBHXADFDAN-UHFFFAOYSA-N 0 3 312.398 2.367 20 30 DEEDHN C=CCOCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000669555362 540862331 /nfs/dbraw/zinc/86/23/31/540862331.db2.gz SRZRVXYNAXAOEI-MRXNPFEDSA-N 0 3 305.422 2.312 20 30 DEEDHN Cc1n[nH]cc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271898358 209306605 /nfs/dbraw/zinc/30/66/05/209306605.db2.gz UUOQQOWRLZZGGH-UHFFFAOYSA-N 0 3 309.417 2.344 20 30 DEEDHN Fc1ccc(C#CCN2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000670985634 540949946 /nfs/dbraw/zinc/94/99/46/540949946.db2.gz GEIDAEUATOUCJQ-IBGZPJMESA-N 0 3 316.420 2.364 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000609919744 361349154 /nfs/dbraw/zinc/34/91/54/361349154.db2.gz IJYGTEIURNNOAM-ZFWWWQNUSA-N 0 3 313.401 2.250 20 30 DEEDHN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(C)C#N)CC1 ZINC000609921939 361349332 /nfs/dbraw/zinc/34/93/32/361349332.db2.gz YRIFWKSNQQTJCQ-CJNGLKHVSA-N 0 3 305.422 2.176 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CCN1C ZINC000610209743 361368057 /nfs/dbraw/zinc/36/80/57/361368057.db2.gz YZMMPTDPYYFLLU-HIFRSBDPSA-N 0 3 310.401 2.377 20 30 DEEDHN CCn1cnnc1CCNCc1cccc(OCCCC#N)c1 ZINC000610480155 361404853 /nfs/dbraw/zinc/40/48/53/361404853.db2.gz ZHKFEXLSRFSKOD-UHFFFAOYSA-N 0 3 313.405 2.313 20 30 DEEDHN CCN1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000610892440 361487313 /nfs/dbraw/zinc/48/73/13/361487313.db2.gz BMZSHKSDHTUXJH-AWEZNQCLSA-N 0 3 300.406 2.356 20 30 DEEDHN N#Cc1ccc(F)cc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610728801 361454352 /nfs/dbraw/zinc/45/43/52/361454352.db2.gz LAWZSHHNKOAWBG-SFHVURJKSA-N 0 3 317.408 2.384 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)[C@H]1C ZINC001088858571 781954167 /nfs/dbraw/zinc/95/41/67/781954167.db2.gz IQTMPAAZISIZBU-ZBFHGGJFSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CC[C@H](C(=O)N[C@H]1CCN(CCOC)C1)c1ccccc1 ZINC000275414979 212318826 /nfs/dbraw/zinc/31/88/26/212318826.db2.gz ZEKRTBSFABDVSB-IRXDYDNUSA-N 0 3 302.418 2.183 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(c2nncn2C)CC1 ZINC000091795354 193109802 /nfs/dbraw/zinc/10/98/02/193109802.db2.gz GYNFXSHTQKTEHV-UHFFFAOYSA-N 0 3 310.401 2.207 20 30 DEEDHN C=CCC[C@@H](C(=O)NCCN(C)CCOC)c1ccccc1 ZINC000275221343 212205897 /nfs/dbraw/zinc/20/58/97/212205897.db2.gz DFMPJVDOIGRVNO-QGZVFWFLSA-N 0 3 304.434 2.431 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nnc(C(C)(C)C)o2)CC1 ZINC000631349347 368167378 /nfs/dbraw/zinc/16/73/78/368167378.db2.gz AUUNYUOPROQAAM-UHFFFAOYSA-N 0 3 306.410 2.137 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451510631 243046259 /nfs/dbraw/zinc/04/62/59/243046259.db2.gz PGQINKXZAGJMOR-FVQBIDKESA-N 0 3 321.465 2.320 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000451600176 243182123 /nfs/dbraw/zinc/18/21/23/243182123.db2.gz QJBUKOLJFSWOII-UGQVUOCMSA-N 0 3 318.417 2.194 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451608387 243192412 /nfs/dbraw/zinc/19/24/12/243192412.db2.gz SANRMJKDFLKJGR-LNSITVRQSA-N 0 3 319.361 2.163 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000451675189 243286031 /nfs/dbraw/zinc/28/60/31/243286031.db2.gz OZVWAZHPIFOKIL-KBXIAJHMSA-N 0 3 306.406 2.416 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275054180 212095377 /nfs/dbraw/zinc/09/53/77/212095377.db2.gz MSHBMHUKQHGQDH-GFCCVEGCSA-N 0 3 311.813 2.300 20 30 DEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453364209 245092106 /nfs/dbraw/zinc/09/21/06/245092106.db2.gz QZQMUSGVVLTGML-WFASDCNBSA-N 0 3 312.435 2.036 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453423733 245127017 /nfs/dbraw/zinc/12/70/17/245127017.db2.gz FPJZQHHLDDHIJX-CABCVRRESA-N 0 3 319.453 2.236 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(C#N)c(C)n1 ZINC000265029878 204353157 /nfs/dbraw/zinc/35/31/57/204353157.db2.gz XFWFPXQLJCGCPY-OAHLLOKOSA-N 0 3 300.406 2.256 20 30 DEEDHN C=CCOCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000679486482 541861794 /nfs/dbraw/zinc/86/17/94/541861794.db2.gz NXGCRPPILPLRFP-UHFFFAOYSA-N 0 3 301.346 2.098 20 30 DEEDHN CC(C)[C@H](CNc1ccc(F)cc1C#N)N1CCN(C)CC1 ZINC000266140995 205130649 /nfs/dbraw/zinc/13/06/49/205130649.db2.gz HDBUKDYSCLCRJY-KRWDZBQOSA-N 0 3 304.413 2.381 20 30 DEEDHN C=C(Cl)CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000266510084 205398170 /nfs/dbraw/zinc/39/81/70/205398170.db2.gz MAVPYUFFHGMKHK-UHFFFAOYSA-N 0 3 307.825 2.137 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679873426 541921945 /nfs/dbraw/zinc/92/19/45/541921945.db2.gz HABKYOKMOMNNDG-VXGBXAGGSA-N 0 3 303.328 2.476 20 30 DEEDHN Clc1ccc(C#CCN2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000267418332 206053771 /nfs/dbraw/zinc/05/37/71/206053771.db2.gz VTAVUYYNMVHJKE-KRWDZBQOSA-N 0 3 318.848 2.346 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1F ZINC000458303634 248254704 /nfs/dbraw/zinc/25/47/04/248254704.db2.gz XYBPYATYXKCVFS-UHFFFAOYSA-N 0 3 316.336 2.218 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(O)CCCC2(C)C)CC1 ZINC000458315942 248259997 /nfs/dbraw/zinc/25/99/97/248259997.db2.gz GLBGDIWLPFSASX-SFHVURJKSA-N 0 3 323.481 2.267 20 30 DEEDHN N#Cc1ncn(CCN[C@H]2CCCc3ccc(Cl)cc32)n1 ZINC000552338918 291717542 /nfs/dbraw/zinc/71/75/42/291717542.db2.gz SUJJTVILCJCNFS-AWEZNQCLSA-N 0 3 301.781 2.470 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccccc2)CC1 ZINC000106275353 194194446 /nfs/dbraw/zinc/19/44/46/194194446.db2.gz WEYWVCOWDLIVEL-KRWDZBQOSA-N 0 3 317.433 2.060 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)[C@H]2C1 ZINC000537611807 285006315 /nfs/dbraw/zinc/00/63/15/285006315.db2.gz SWCIRCROPXPCGC-ABAIWWIYSA-N 0 3 303.793 2.378 20 30 DEEDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000331124591 533134597 /nfs/dbraw/zinc/13/45/97/533134597.db2.gz CRUROQPVJLBCGG-GHMZBOCLSA-N 0 3 307.350 2.391 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000120388087 195157128 /nfs/dbraw/zinc/15/71/28/195157128.db2.gz VMTCNUBDFOPJIC-YOEHRIQHSA-N 0 3 312.413 2.013 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289721366 221178499 /nfs/dbraw/zinc/17/84/99/221178499.db2.gz CZQXKNNEPCEAJA-HZPDHXFCSA-N 0 3 316.792 2.389 20 30 DEEDHN CCc1nnc(N2CCN(C3CC3)C[C@@H](C)C2)c(C#N)c1CC ZINC000294913527 224306702 /nfs/dbraw/zinc/30/67/02/224306702.db2.gz JFFQXMPFDVIVDN-CYBMUJFWSA-N 0 3 313.449 2.394 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000121806487 195351575 /nfs/dbraw/zinc/35/15/75/195351575.db2.gz VCFGYJPEDDFGRK-UHFFFAOYSA-N 0 3 302.422 2.213 20 30 DEEDHN COc1cccc(C(C)(C)CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424171305 533422884 /nfs/dbraw/zinc/42/28/84/533422884.db2.gz JERXXGUIBXEYAK-HNNXBMFYSA-N 0 3 303.406 2.110 20 30 DEEDHN COc1ccc(CN(C(=O)[C@H](N)CCCC#N)C2CC2)cc1 ZINC000424067256 533516233 /nfs/dbraw/zinc/51/62/33/533516233.db2.gz PADWRFFMSUVIJM-MRXNPFEDSA-N 0 3 301.390 2.207 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ncc(C#N)cc1Cl ZINC000330730267 533592958 /nfs/dbraw/zinc/59/29/58/533592958.db2.gz HXPJTRKIKWTSMO-LLVKDONJSA-N 0 3 320.824 2.409 20 30 DEEDHN C[C@@H](N[C@H]1CCCN(CCCO)C1)c1ccc(C#N)c(F)c1 ZINC000297470305 533541275 /nfs/dbraw/zinc/54/12/75/533541275.db2.gz YOKAIGZKSWKFIA-CJNGLKHVSA-N 0 3 305.397 2.195 20 30 DEEDHN COC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1C ZINC000331151747 533648962 /nfs/dbraw/zinc/64/89/62/533648962.db2.gz ODAGUOSSLWVASV-JOYOIKCWSA-N 0 3 307.394 2.205 20 30 DEEDHN Cc1ccnc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1C#N ZINC000360323581 133175917 /nfs/dbraw/zinc/17/59/17/133175917.db2.gz PVUQCGBYTKWBRK-SJORKVTESA-N 0 3 322.412 2.309 20 30 DEEDHN Cc1ccnc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1C#N ZINC000360323580 133175950 /nfs/dbraw/zinc/17/59/50/133175950.db2.gz PVUQCGBYTKWBRK-IRXDYDNUSA-N 0 3 322.412 2.309 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(C#N)c(F)c2)cnn1C ZINC000361849874 133195787 /nfs/dbraw/zinc/19/57/87/133195787.db2.gz OFFYESRCAQKVIV-DLBZAZTESA-N 0 3 314.364 2.359 20 30 DEEDHN Cc1nc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)ccc1C#N ZINC000547257669 285552248 /nfs/dbraw/zinc/55/22/48/285552248.db2.gz PKHNNTGHTVONTA-BETUJISGSA-N 0 3 322.372 2.167 20 30 DEEDHN N#Cc1cccc(CN[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000376713887 133305176 /nfs/dbraw/zinc/30/51/76/133305176.db2.gz ASMDMLKTEJKPFC-LJQANCHMSA-N 0 3 319.408 2.491 20 30 DEEDHN N#Cc1cc(F)ccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373117293 133378448 /nfs/dbraw/zinc/37/84/48/133378448.db2.gz FCPQTSIDWDHIQJ-MSOLQXFVSA-N 0 3 317.408 2.430 20 30 DEEDHN N#Cc1ccc2nc(N3CCN([C@@H]4CCC[C@@H]4O)CC3)ccc2c1 ZINC000373166451 133380251 /nfs/dbraw/zinc/38/02/51/133380251.db2.gz TVWHXDOHOZWNJP-MSOLQXFVSA-N 0 3 322.412 2.142 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(CCc3cncs3)C2)nc1 ZINC000563247662 292041787 /nfs/dbraw/zinc/04/17/87/292041787.db2.gz FNAKRQMCQYOMQP-CYBMUJFWSA-N 0 3 300.387 2.106 20 30 DEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3cn4ccccc4c3C#N)C2)n1 ZINC000563871062 292077177 /nfs/dbraw/zinc/07/71/77/292077177.db2.gz VKJPUDNOUGSNML-CYBMUJFWSA-N 0 3 306.373 2.227 20 30 DEEDHN Cc1nc([C@@H]2CCN(Cc3cn4ccccc4c3C#N)C2)n[nH]1 ZINC000563871062 292077178 /nfs/dbraw/zinc/07/71/78/292077178.db2.gz VKJPUDNOUGSNML-CYBMUJFWSA-N 0 3 306.373 2.227 20 30 DEEDHN Cc1nnc([C@@H]2CCN(Cc3cn4ccccc4c3C#N)C2)[nH]1 ZINC000563871062 292077180 /nfs/dbraw/zinc/07/71/80/292077180.db2.gz VKJPUDNOUGSNML-CYBMUJFWSA-N 0 3 306.373 2.227 20 30 DEEDHN Cn1cc(CNCc2cccc(Cn3cccn3)c2)cc1C#N ZINC000190843034 145049056 /nfs/dbraw/zinc/04/90/56/145049056.db2.gz GIRWSJQOMWANPY-UHFFFAOYSA-N 0 3 305.385 2.431 20 30 DEEDHN CC(=O)Nc1cccc(OCCNCc2cc(C#N)n(C)c2)c1 ZINC000190950663 145050440 /nfs/dbraw/zinc/05/04/40/145050440.db2.gz CIWITEWPHSALGW-UHFFFAOYSA-N 0 3 312.373 2.024 20 30 DEEDHN Cc1cc(CN(CCN(C)C)C[C@@H]2CCCO2)ccc1C#N ZINC000349060395 146346068 /nfs/dbraw/zinc/34/60/68/146346068.db2.gz FNULLIZTSZFXMH-SFHVURJKSA-N 0 3 301.434 2.409 20 30 DEEDHN COCC1(C)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000358765286 147199803 /nfs/dbraw/zinc/19/98/03/147199803.db2.gz FJZZHIVZEVXYID-MRXNPFEDSA-N 0 3 318.417 2.046 20 30 DEEDHN C=CC1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000111259316 401705057 /nfs/dbraw/zinc/70/50/57/401705057.db2.gz WFBVIUSKOJEBJY-ZDUSSCGKSA-N 0 3 307.438 2.431 20 30 DEEDHN CC(C)(C#N)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000126965876 401714873 /nfs/dbraw/zinc/71/48/73/401714873.db2.gz QDRDNMKRSHMGRI-UHFFFAOYSA-N 0 3 315.417 2.379 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCc1cccc(C#N)c1 ZINC000111465970 401716736 /nfs/dbraw/zinc/71/67/36/401716736.db2.gz WMFRBRUYXKQTEG-INIZCTEOSA-N 0 3 300.406 2.232 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCc1cccc(C#N)c1 ZINC000111465966 401716880 /nfs/dbraw/zinc/71/68/80/401716880.db2.gz WMFRBRUYXKQTEG-MRXNPFEDSA-N 0 3 300.406 2.232 20 30 DEEDHN COC[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000077313254 401809426 /nfs/dbraw/zinc/80/94/26/401809426.db2.gz NQICVSDQYLMCNI-HNNXBMFYSA-N 0 3 304.390 2.304 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccnn2CC)CC1 ZINC000128164508 401765385 /nfs/dbraw/zinc/76/53/85/401765385.db2.gz KINJFCYPLIQCCW-AATRIKPKSA-N 0 3 302.422 2.073 20 30 DEEDHN C=CCNc1ncc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)s1 ZINC000128727561 401789077 /nfs/dbraw/zinc/78/90/77/401789077.db2.gz KFNINRSYNBAYEW-GFCCVEGCSA-N 0 3 320.462 2.488 20 30 DEEDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000132861962 401875615 /nfs/dbraw/zinc/87/56/15/401875615.db2.gz HFDDQQZEMWLSCX-UHFFFAOYSA-N 0 3 312.373 2.216 20 30 DEEDHN Cc1cncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000079790238 401881109 /nfs/dbraw/zinc/88/11/09/401881109.db2.gz GBVVUWAPCCBAIC-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2csc(NCC)n2)CC1 ZINC000133378969 401883605 /nfs/dbraw/zinc/88/36/05/401883605.db2.gz ILHYEQKFSVBTQY-UHFFFAOYSA-N 0 3 308.451 2.345 20 30 DEEDHN COc1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1C#N ZINC000135030776 401924314 /nfs/dbraw/zinc/92/43/14/401924314.db2.gz QSKBGRSEFLNULD-CYBMUJFWSA-N 0 3 301.390 2.044 20 30 DEEDHN C#CCOc1ccc([C@H](C)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000090183590 401981027 /nfs/dbraw/zinc/98/10/27/401981027.db2.gz XRNRAVUKQUNLOW-AWEZNQCLSA-N 0 3 321.442 2.174 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000122608839 402086538 /nfs/dbraw/zinc/08/65/38/402086538.db2.gz HMBSQFNTRQFHBK-UHFFFAOYSA-N 0 3 311.429 2.353 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000103450437 402188397 /nfs/dbraw/zinc/18/83/97/402188397.db2.gz YSIPBNFJSQRUIT-UHFFFAOYSA-N 0 3 317.458 2.451 20 30 DEEDHN C[C@@H](NC(C)(C)CNC(=O)CSCC#N)c1ccccc1 ZINC000068386891 402196015 /nfs/dbraw/zinc/19/60/15/402196015.db2.gz ARPXEIVUYUVHPO-CYBMUJFWSA-N 0 3 305.447 2.489 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000067703934 402168739 /nfs/dbraw/zinc/16/87/39/402168739.db2.gz ZBCURQUOXYTBKP-UHFFFAOYSA-N 0 3 301.346 2.187 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccn2)CC1 ZINC000106340592 402213420 /nfs/dbraw/zinc/21/34/20/402213420.db2.gz AHEKXCLHYYEQMG-UHFFFAOYSA-N 0 3 302.422 2.264 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000069805450 402244667 /nfs/dbraw/zinc/24/46/67/402244667.db2.gz KMWUDXGSFNEXNS-SECBINFHSA-N 0 3 319.785 2.085 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000108337076 402250504 /nfs/dbraw/zinc/25/05/04/402250504.db2.gz YMOZDLSIQLZXDP-INIZCTEOSA-N 0 3 317.458 2.249 20 30 DEEDHN COc1ccc([C@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)cc1 ZINC000155273472 402250860 /nfs/dbraw/zinc/25/08/60/402250860.db2.gz DCNOZFZOIWDXQJ-ZBFHGGJFSA-N 0 3 315.417 2.245 20 30 DEEDHN N#CC(C(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000155706611 402265382 /nfs/dbraw/zinc/26/53/82/402265382.db2.gz WFSRVUYVXYMUSB-SSDOTTSWSA-N 0 3 311.185 2.386 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1 ZINC000155591565 402261690 /nfs/dbraw/zinc/26/16/90/402261690.db2.gz WMCDCZUTZKLFDB-GOSISDBHSA-N 0 3 314.429 2.437 20 30 DEEDHN CCCCN1CCCC[C@H]1CNC(=O)C1(C#N)CCOCC1 ZINC000109143014 402268837 /nfs/dbraw/zinc/26/88/37/402268837.db2.gz MGUUFYPFUWGCOR-HNNXBMFYSA-N 0 3 307.438 2.078 20 30 DEEDHN C=CCN(CC=C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000126244442 402271256 /nfs/dbraw/zinc/27/12/56/402271256.db2.gz XFCBGQNEIRSHFV-UHFFFAOYSA-N 0 3 301.390 2.077 20 30 DEEDHN C#CCOc1ccccc1CNCCCNC(=O)C1CCC1 ZINC000176987842 402356828 /nfs/dbraw/zinc/35/68/28/402356828.db2.gz IWTWSCKXECGLLD-UHFFFAOYSA-N 0 3 300.402 2.095 20 30 DEEDHN N#C[C@@H]1CCC[C@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1 ZINC000185807129 402379127 /nfs/dbraw/zinc/37/91/27/402379127.db2.gz KHPADZNMQFXIIZ-HIFRSBDPSA-N 0 3 301.390 2.184 20 30 DEEDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000186370436 402425766 /nfs/dbraw/zinc/42/57/66/402425766.db2.gz VAMJFBRZONAZAJ-INMHGKMJSA-N 0 3 309.454 2.224 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC000186458485 402432585 /nfs/dbraw/zinc/43/25/85/402432585.db2.gz PPGKPMPCASIATN-CYBMUJFWSA-N 0 3 300.406 2.138 20 30 DEEDHN CN(C)C1(CN(C)C(=O)c2ccccc2OCC#N)CCC1 ZINC000187006095 402477703 /nfs/dbraw/zinc/47/77/03/402477703.db2.gz KIHQYBQEPYALSU-UHFFFAOYSA-N 0 3 301.390 2.145 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C1(CC)CC ZINC000187049980 402480306 /nfs/dbraw/zinc/48/03/06/402480306.db2.gz PRUZNFAXHVPWTC-ZOBUZTSGSA-N 0 3 321.465 2.368 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCCC12CCCCC2 ZINC000372279534 404492381 /nfs/dbraw/zinc/49/23/81/404492381.db2.gz ZYEMZVASJPCCMG-UHFFFAOYSA-N 0 3 302.422 2.441 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)NCCCCC#N)o1 ZINC000171449263 402587924 /nfs/dbraw/zinc/58/79/24/402587924.db2.gz VCIFIKWCDUATJS-UHFFFAOYSA-N 0 3 306.410 2.355 20 30 DEEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@H](C)C2CCOCC2)c(C#N)c1C ZINC000179876853 402603164 /nfs/dbraw/zinc/60/31/64/402603164.db2.gz UEIDOLBSMWYCMM-VXGBXAGGSA-N 0 3 319.405 2.500 20 30 DEEDHN N#CCNC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180061062 402606142 /nfs/dbraw/zinc/60/61/42/402606142.db2.gz GGNTUPXYMRZXCO-AWEZNQCLSA-N 0 3 311.307 2.386 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(COC)cc2)CC1 ZINC000171710850 402613325 /nfs/dbraw/zinc/61/33/25/402613325.db2.gz BFGSFPXKQUZMHY-UHFFFAOYSA-N 0 3 317.433 2.283 20 30 DEEDHN C#CCCOc1ccc(CN[C@H](C)CN2CCCC2=O)cc1 ZINC000172114538 402640963 /nfs/dbraw/zinc/64/09/63/402640963.db2.gz YWUIVCUNKZROEU-OAHLLOKOSA-N 0 3 300.402 2.189 20 30 DEEDHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000182269643 402677923 /nfs/dbraw/zinc/67/79/23/402677923.db2.gz MSZCRQQRBNVQRU-LSDHHAIUSA-N 0 3 307.438 2.218 20 30 DEEDHN CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCO1 ZINC000182310290 402680449 /nfs/dbraw/zinc/68/04/49/402680449.db2.gz LOVLMMKCPUYEME-UONOGXRCSA-N 0 3 305.378 2.254 20 30 DEEDHN C#CCSCCNCc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000182375558 402684613 /nfs/dbraw/zinc/68/46/13/402684613.db2.gz BBHVBRQUFDFWCN-CYBMUJFWSA-N 0 3 307.415 2.083 20 30 DEEDHN COc1cc(OC)cc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000192878928 402754936 /nfs/dbraw/zinc/75/49/36/402754936.db2.gz JUPZAZJYHHMOIY-RVSPLBMKSA-N 0 3 304.390 2.409 20 30 DEEDHN C=CCCCCCN1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000193426907 402771097 /nfs/dbraw/zinc/77/10/97/402771097.db2.gz IEGHNKXNPLVLRK-UHFFFAOYSA-N 0 3 302.484 2.479 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(CSCC)on2)CC1 ZINC000184429972 402843534 /nfs/dbraw/zinc/84/35/34/402843534.db2.gz VUCQVTIEBXOZOB-UHFFFAOYSA-N 0 3 309.435 2.308 20 30 DEEDHN CCC[C@@]1(COC)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000194934579 402823437 /nfs/dbraw/zinc/82/34/37/402823437.db2.gz OFQFEPNHGFVSOE-IRXDYDNUSA-N 0 3 307.438 2.076 20 30 DEEDHN C=CCOc1ccc(CNC[C@](C)(O)CCOC)cc1OC ZINC000265249306 402904404 /nfs/dbraw/zinc/90/44/04/402904404.db2.gz NWAMFBXVCRUZSJ-QGZVFWFLSA-N 0 3 309.406 2.137 20 30 DEEDHN CCC[C@@H](O)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278542490 402868174 /nfs/dbraw/zinc/86/81/74/402868174.db2.gz AEVBPZXJMAMKKS-MRXNPFEDSA-N 0 3 313.405 2.109 20 30 DEEDHN C=CCN(C[C@H](O)COc1c(OC)cccc1OC)C1CC1 ZINC000271458551 402873210 /nfs/dbraw/zinc/87/32/10/402873210.db2.gz PKOJFBRRMWAWJC-AWEZNQCLSA-N 0 3 307.390 2.094 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(OC)c(OC)cc2F)CC1 ZINC000264424549 402876928 /nfs/dbraw/zinc/87/69/28/402876928.db2.gz ZJVYYTIRMFGUNH-UHFFFAOYSA-N 0 3 320.364 2.127 20 30 DEEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nncn1C ZINC000271855858 402884991 /nfs/dbraw/zinc/88/49/91/402884991.db2.gz JJVXFGBIMDKKFF-AWEZNQCLSA-N 0 3 324.432 2.002 20 30 DEEDHN Cc1nc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1C#N ZINC000272126780 402900511 /nfs/dbraw/zinc/90/05/11/402900511.db2.gz AOSVBOARJXALFG-ZDUSSCGKSA-N 0 3 300.406 2.064 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccncc1)C(C)C ZINC000272431456 402936816 /nfs/dbraw/zinc/93/68/16/402936816.db2.gz SBMHHFQKHKCRCH-QGZVFWFLSA-N 0 3 301.434 2.439 20 30 DEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1=CCN(C)CC1 ZINC000272488621 402943786 /nfs/dbraw/zinc/94/37/86/402943786.db2.gz AOMSCZODQAKLHB-ZDUSSCGKSA-N 0 3 314.389 2.361 20 30 DEEDHN CN(CCc1ccncc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279543324 402954122 /nfs/dbraw/zinc/95/41/22/402954122.db2.gz NNPYWSVCTNYPPG-GOSISDBHSA-N 0 3 318.380 2.337 20 30 DEEDHN C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)C1=CCN(C)CC1 ZINC000272852280 402960439 /nfs/dbraw/zinc/96/04/39/402960439.db2.gz HLKVTAXGNVWGOD-CYBMUJFWSA-N 0 3 314.389 2.361 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCCO1 ZINC000279910264 402965086 /nfs/dbraw/zinc/96/50/86/402965086.db2.gz DWPUQEDJCLKVAY-XKQJLSEDSA-N 0 3 311.385 2.314 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)[C@H]2C1 ZINC000272258122 402915512 /nfs/dbraw/zinc/91/55/12/402915512.db2.gz JQESTLOFFSKEQG-BBRMVZONSA-N 0 3 314.389 2.147 20 30 DEEDHN N#Cc1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)nc1 ZINC000273264038 402988495 /nfs/dbraw/zinc/98/84/95/402988495.db2.gz WGCNSGANKQIRBV-QGZVFWFLSA-N 0 3 308.385 2.132 20 30 DEEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000273528942 403012048 /nfs/dbraw/zinc/01/20/48/403012048.db2.gz UUAAQHYGXMDWEG-OAHLLOKOSA-N 0 3 304.390 2.404 20 30 DEEDHN CN(C)[C@@]1(CNc2nc3c(cc2C#N)CCC3)CCSC1 ZINC000267124265 403017281 /nfs/dbraw/zinc/01/72/81/403017281.db2.gz URRIDYZZHRDURF-MRXNPFEDSA-N 0 3 302.447 2.291 20 30 DEEDHN CN(C)[C@]1(CNc2c(C#N)nnc3ccccc32)CCSC1 ZINC000267145281 403019403 /nfs/dbraw/zinc/01/94/03/403019403.db2.gz YSYSUODHJFCMCZ-INIZCTEOSA-N 0 3 313.430 2.351 20 30 DEEDHN C#C[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)C(C)C ZINC000281011830 403056666 /nfs/dbraw/zinc/05/66/66/403056666.db2.gz FJPMKDMYGHBCPC-QGZVFWFLSA-N 0 3 314.433 2.255 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000268229896 403064120 /nfs/dbraw/zinc/06/41/20/403064120.db2.gz NETWVPNIUQJBMI-YMTOWFKASA-N 0 3 305.328 2.049 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000275154335 403099997 /nfs/dbraw/zinc/09/99/97/403099997.db2.gz SODCMOSWKUZADQ-JKSUJKDBSA-N 0 3 315.442 2.210 20 30 DEEDHN COCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000281879471 403100983 /nfs/dbraw/zinc/10/09/83/403100983.db2.gz BFWSTQHDJGNXKB-INIZCTEOSA-N 0 3 311.385 2.173 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000268640742 403101768 /nfs/dbraw/zinc/10/17/68/403101768.db2.gz MNFMUOKSKHCVSG-QGZVFWFLSA-N 0 3 320.408 2.301 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(OCC#N)cc2)C1(C)C ZINC000275472350 403102793 /nfs/dbraw/zinc/10/27/93/403102793.db2.gz CWIRLPJINQNUAE-WMZOPIPTSA-N 0 3 318.417 2.245 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC1(CO)CC1)C(C)C ZINC000275614091 403109248 /nfs/dbraw/zinc/10/92/48/403109248.db2.gz ISWVQILPAPBAMU-MRXNPFEDSA-N 0 3 323.481 2.099 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000282016027 403114024 /nfs/dbraw/zinc/11/40/24/403114024.db2.gz OVTJKQQRUJIKDO-ZWKOTPCHSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC000282103092 403122818 /nfs/dbraw/zinc/12/28/18/403122818.db2.gz WEJPKRXYEWTFEG-NVXWUHKLSA-N 0 3 302.393 2.477 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(C)C)CC1 ZINC000282378092 403148190 /nfs/dbraw/zinc/14/81/90/403148190.db2.gz UXRLIXIKGURDKR-UHFFFAOYSA-N 0 3 314.437 2.237 20 30 DEEDHN C#Cc1cccc(NC(=O)NCCCN2CCCO[C@H](C)C2)c1 ZINC000277590516 403234134 /nfs/dbraw/zinc/23/41/34/403234134.db2.gz UUYPLGHNUVRKDF-OAHLLOKOSA-N 0 3 315.417 2.290 20 30 DEEDHN C#CCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000271025529 403254925 /nfs/dbraw/zinc/25/49/25/403254925.db2.gz VVCHZAPDHVNIQO-KBPBESRZSA-N 0 3 301.308 2.490 20 30 DEEDHN C#CCN1CCC(c2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000277789734 403257193 /nfs/dbraw/zinc/25/71/93/403257193.db2.gz FTVVDTJTAMZPNC-UHFFFAOYSA-N 0 3 307.357 2.426 20 30 DEEDHN C#CCCCN(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000271062434 403259907 /nfs/dbraw/zinc/25/99/07/403259907.db2.gz SWBNYFDZJBLKHQ-UHFFFAOYSA-N 0 3 309.431 2.204 20 30 DEEDHN CN1CCN(CCCSCC#N)C[C@@H]1Cc1ccccc1 ZINC000284725767 403270816 /nfs/dbraw/zinc/27/08/16/403270816.db2.gz JROYGTIIGRCSDB-KRWDZBQOSA-N 0 3 303.475 2.492 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)CCCCc1ccccc1 ZINC000285127632 403278442 /nfs/dbraw/zinc/27/84/42/403278442.db2.gz OEANVGSKQYCKRT-CQSZACIVSA-N 0 3 309.431 2.115 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H]1C(=O)OC)C(C)C ZINC000285471427 403304047 /nfs/dbraw/zinc/30/40/47/403304047.db2.gz HLWDBGVSAGDWJY-OWCLPIDISA-N 0 3 322.449 2.000 20 30 DEEDHN CS[C@H]1CN(c2nc(C)c(C#N)cc2Cl)C[C@@H]1N(C)C ZINC000292501210 403364041 /nfs/dbraw/zinc/36/40/41/403364041.db2.gz FTDOVWXYRZPESX-STQMWFEESA-N 0 3 310.854 2.397 20 30 DEEDHN Cc1cc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc(C#N)n1 ZINC000342726027 403324602 /nfs/dbraw/zinc/32/46/02/403324602.db2.gz LZAPJUKSXOCYJK-RBUKOAKNSA-N 0 3 322.412 2.309 20 30 DEEDHN C=CCCN(C)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000342743064 403331303 /nfs/dbraw/zinc/33/13/03/403331303.db2.gz XWMQKMZBEVGOGZ-HNNXBMFYSA-N 0 3 307.390 2.145 20 30 DEEDHN CN1CCC[C@]2(CCN(c3cc(C#N)ccc3[N+](=O)[O-])C2)C1 ZINC000292661929 403372887 /nfs/dbraw/zinc/37/28/87/403372887.db2.gz CKFKDGWMGWLGPA-INIZCTEOSA-N 0 3 300.362 2.389 20 30 DEEDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C#N)C2)C1 ZINC000292702224 403375656 /nfs/dbraw/zinc/37/56/56/403375656.db2.gz GBUSBZMHRDSGPZ-MRXNPFEDSA-N 0 3 300.362 2.389 20 30 DEEDHN COCCOCCN(CCOCCC#N)Cc1ccccc1 ZINC000292778658 403377580 /nfs/dbraw/zinc/37/75/80/403377580.db2.gz KJCVUPFUIMGDGV-UHFFFAOYSA-N 0 3 306.406 2.082 20 30 DEEDHN CN1CCC[C@@]2(CCN(c3ccc(C#N)c([N+](=O)[O-])c3)C2)C1 ZINC000292928543 403383082 /nfs/dbraw/zinc/38/30/82/403383082.db2.gz ZADYEPRVPUSIAN-MRXNPFEDSA-N 0 3 300.362 2.389 20 30 DEEDHN CN1CCC[C@]2(CCN(c3ccc(C#N)c([N+](=O)[O-])c3)C2)C1 ZINC000292928540 403383518 /nfs/dbraw/zinc/38/35/18/403383518.db2.gz ZADYEPRVPUSIAN-INIZCTEOSA-N 0 3 300.362 2.389 20 30 DEEDHN C[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000298477395 403391076 /nfs/dbraw/zinc/39/10/76/403391076.db2.gz BVIQSJSXHMWDCX-LSDHHAIUSA-N 0 3 315.417 2.174 20 30 DEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298643148 403430208 /nfs/dbraw/zinc/43/02/08/403430208.db2.gz WVYBXSBRMXWZAV-UHFFFAOYSA-N 0 3 319.361 2.276 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H](CO)CN1CCCCC1)c1ccccc1 ZINC000298566128 403414978 /nfs/dbraw/zinc/41/49/78/403414978.db2.gz JXKRWAATHXPUEW-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN CCn1cnc2c(c1=O)CCN(CCCCC(C)(C)C#N)C2 ZINC000285962188 403419711 /nfs/dbraw/zinc/41/97/11/403419711.db2.gz DILBKDMZJLXPKX-UHFFFAOYSA-N 0 3 302.422 2.341 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000293328472 403444850 /nfs/dbraw/zinc/44/48/50/403444850.db2.gz RMDOQXNOVJTKRN-CQSZACIVSA-N 0 3 320.408 2.198 20 30 DEEDHN N#Cc1ccnc(NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000286084480 403445823 /nfs/dbraw/zinc/44/58/23/403445823.db2.gz ACRLZIATFDRAIY-KRWDZBQOSA-N 0 3 308.385 2.132 20 30 DEEDHN COc1ccccc1O[C@@H]1CCCN(CCOCCC#N)C1 ZINC000293427637 403468787 /nfs/dbraw/zinc/46/87/87/403468787.db2.gz AVXOKBKZPYJVNX-OAHLLOKOSA-N 0 3 304.390 2.469 20 30 DEEDHN N#Cc1ccc(NC(=O)NCCNc2ccncc2)cc1Cl ZINC000345767071 403475177 /nfs/dbraw/zinc/47/51/77/403475177.db2.gz HFGZYQHNEXRGQR-UHFFFAOYSA-N 0 3 315.764 2.262 20 30 DEEDHN COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(SC)cc1 ZINC000345812297 403493069 /nfs/dbraw/zinc/49/30/69/403493069.db2.gz ULAXFNWBGSJRSY-GWCFXTLKSA-N 0 3 306.387 2.289 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)C(C)C#N)N1CCCC1 ZINC000345674360 403431546 /nfs/dbraw/zinc/43/15/46/403431546.db2.gz VKDSWRCLKBDSKP-DZGCQCFKSA-N 0 3 301.390 2.108 20 30 DEEDHN CC(C)N(CCN1CCCCCC1)C(=O)c1cnn(C)c1C#N ZINC000345912020 403530575 /nfs/dbraw/zinc/53/05/75/403530575.db2.gz QICAPQKIFIQAIB-UHFFFAOYSA-N 0 3 317.437 2.018 20 30 DEEDHN CN(CCC#N)c1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000299155719 403536196 /nfs/dbraw/zinc/53/61/96/403536196.db2.gz HXTXHTZVBWXQMM-ZDUSSCGKSA-N 0 3 301.312 2.049 20 30 DEEDHN C[C@H](CNC(=O)COc1ccccc1C#N)N1CCCC[C@H]1C ZINC000343323392 403538947 /nfs/dbraw/zinc/53/89/47/403538947.db2.gz OJPDGYMTEBBPDK-HUUCEWRRSA-N 0 3 315.417 2.316 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000345814796 403495496 /nfs/dbraw/zinc/49/54/96/403495496.db2.gz VQTAYNXLJKDETN-ZWNOBZJWSA-N 0 3 305.765 2.063 20 30 DEEDHN CN(C)CCN1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000286323363 403499547 /nfs/dbraw/zinc/49/95/47/403499547.db2.gz ZYRULSYGHRLFOP-UHFFFAOYSA-N 0 3 313.858 2.106 20 30 DEEDHN COC1(CCN2CCN(c3ccc(C#N)cn3)CC2)CCC1 ZINC000293618171 403520658 /nfs/dbraw/zinc/52/06/58/403520658.db2.gz WAEAAHQETGMIBM-UHFFFAOYSA-N 0 3 300.406 2.034 20 30 DEEDHN COC(=O)[C@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000346514431 403592467 /nfs/dbraw/zinc/59/24/67/403592467.db2.gz UUDDEUSVXVFMDA-MAUKXSAKSA-N 0 3 314.385 2.171 20 30 DEEDHN C=CCN1CCC(N[C@@H](c2cccs2)c2nc[nH]n2)CC1 ZINC000293859067 403583320 /nfs/dbraw/zinc/58/33/20/403583320.db2.gz UMANEOQPBDICBV-AWEZNQCLSA-N 0 3 303.435 2.196 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC000287492045 403609716 /nfs/dbraw/zinc/60/97/16/403609716.db2.gz ZQROZTQEWBXUFM-WOPDTQHZSA-N 0 3 321.402 2.150 20 30 DEEDHN COc1cc(CNC(=O)C(C)C#N)ccc1OCC(F)(F)F ZINC000347060520 403614513 /nfs/dbraw/zinc/61/45/13/403614513.db2.gz CWFOSXTZCXYYPR-SECBINFHSA-N 0 3 316.279 2.412 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc2c(c1)CCCCC2=O ZINC000293963030 403611294 /nfs/dbraw/zinc/61/12/94/403611294.db2.gz LHQRCTQCJGZOTJ-UHFFFAOYSA-N 0 3 312.413 2.281 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2c(F)cc(C#N)cc2F)CC1 ZINC000301553731 403645914 /nfs/dbraw/zinc/64/59/14/403645914.db2.gz WCVBHLTXDIQIKU-LBPRGKRZSA-N 0 3 308.376 2.274 20 30 DEEDHN CCc1nocc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000294020695 403626645 /nfs/dbraw/zinc/62/66/45/403626645.db2.gz NAJJVNDSBCGEMG-HNNXBMFYSA-N 0 3 322.368 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000294030139 403628963 /nfs/dbraw/zinc/62/89/63/403628963.db2.gz RKZAEYXTHPAMTN-JXMROGBWSA-N 0 3 322.355 2.373 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)Oc1ccccc1F ZINC000294032229 403629923 /nfs/dbraw/zinc/62/99/23/403629923.db2.gz ROWHIDUPOSATND-HNNXBMFYSA-N 0 3 306.381 2.054 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)cc1C ZINC000294055186 403635974 /nfs/dbraw/zinc/63/59/74/403635974.db2.gz UOLBYFZJNXMEHV-UHFFFAOYSA-N 0 3 323.234 2.442 20 30 DEEDHN COc1ccc(C#N)cc1CN1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000343589293 403652921 /nfs/dbraw/zinc/65/29/21/403652921.db2.gz VGDSFCFIRZWDCZ-GDBMZVCRSA-N 0 3 305.447 2.044 20 30 DEEDHN CC#CCCCC(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000343730137 403709611 /nfs/dbraw/zinc/70/96/11/403709611.db2.gz RLCPYSQBZRBSIY-MRXNPFEDSA-N 0 3 318.417 2.120 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC1(F)F ZINC000294766126 403733143 /nfs/dbraw/zinc/73/31/43/403733143.db2.gz QMMPWWXVKNPSMX-AWEZNQCLSA-N 0 3 307.344 2.104 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCSC2)cc1 ZINC000288201335 403740720 /nfs/dbraw/zinc/74/07/20/403740720.db2.gz CLNFASHFNSXURG-HZPDHXFCSA-N 0 3 313.426 2.500 20 30 DEEDHN C[C@H](NC[C@@H](O)COCc1ccco1)c1ccc(C#N)cc1 ZINC000303053662 403746607 /nfs/dbraw/zinc/74/66/07/403746607.db2.gz WSAALECSYGHDGT-XJKSGUPXSA-N 0 3 300.358 2.380 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000343843687 403755921 /nfs/dbraw/zinc/75/59/21/403755921.db2.gz SASRIYAKSVHZBT-HOTGVXAUSA-N 0 3 311.470 2.483 20 30 DEEDHN CN(C)CC1(NC(=O)CSCc2ccc(C#N)cc2)CCC1 ZINC000351625449 403813209 /nfs/dbraw/zinc/81/32/09/403813209.db2.gz YTXSSHOLWFWYEH-UHFFFAOYSA-N 0 3 317.458 2.392 20 30 DEEDHN C#Cc1ccc(CNCc2ccc(OCCO)c(OC)c2)cc1 ZINC000289046654 403817150 /nfs/dbraw/zinc/81/71/50/403817150.db2.gz BBCIHNCLXRDODK-UHFFFAOYSA-N 0 3 311.381 2.337 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000305095722 403828398 /nfs/dbraw/zinc/82/83/98/403828398.db2.gz SDSPKIWWFBTQSL-GOSISDBHSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000411263929 403840091 /nfs/dbraw/zinc/84/00/91/403840091.db2.gz UGBGQJSNCDJVKA-ZDUSSCGKSA-N 0 3 307.438 2.431 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)cnn1C)C(C)C ZINC000411371157 403841127 /nfs/dbraw/zinc/84/11/27/403841127.db2.gz WUIAPTRNIKTXNB-HNNXBMFYSA-N 0 3 304.438 2.157 20 30 DEEDHN COc1cccc(-c2noc([C@H](C)NC(=O)C(C)C#N)n2)c1 ZINC000347752392 403847403 /nfs/dbraw/zinc/84/74/03/403847403.db2.gz HTKSDBXGRJHLGO-ZJUUUORDSA-N 0 3 300.318 2.082 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411489483 403870612 /nfs/dbraw/zinc/87/06/12/403870612.db2.gz KRSYQWZARZSCLT-OAHLLOKOSA-N 0 3 317.433 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(OC/C=C/C)c1 ZINC000295422998 403915223 /nfs/dbraw/zinc/91/52/23/403915223.db2.gz IWFKRGJCSIGJCB-GQCTYLIASA-N 0 3 314.429 2.255 20 30 DEEDHN C#C[C@@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)C(C)C ZINC000289351154 403923256 /nfs/dbraw/zinc/92/32/56/403923256.db2.gz JCAIROXRUYWIJA-XJKSGUPXSA-N 0 3 316.401 2.438 20 30 DEEDHN C=CCOc1cccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000362086158 403923571 /nfs/dbraw/zinc/92/35/71/403923571.db2.gz IHLFBGOVPKWNKN-GOSISDBHSA-N 0 3 321.417 2.434 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1CCC1CCCC1 ZINC000362956526 404023836 /nfs/dbraw/zinc/02/38/36/404023836.db2.gz ZIEWBHYJZWJAAI-HNNXBMFYSA-N 0 3 307.438 2.433 20 30 DEEDHN CN1CCC[C@@H](CNc2ncc(Br)cc2C#N)C1 ZINC000311140004 403970481 /nfs/dbraw/zinc/97/04/81/403970481.db2.gz KZNDRPOQCYIGRZ-JTQLQIEISA-N 0 3 309.211 2.469 20 30 DEEDHN C[C@@H]1C[C@H](O)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000412044175 404082427 /nfs/dbraw/zinc/08/24/27/404082427.db2.gz WDLUISYYROTNBN-DYVFJYSZSA-N 0 3 310.401 2.161 20 30 DEEDHN CC[C@H](C)N1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000296084721 404085465 /nfs/dbraw/zinc/08/54/65/404085465.db2.gz PLEFWOHULRRPKN-HNNXBMFYSA-N 0 3 317.433 2.362 20 30 DEEDHN N#Cc1cccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)c1F ZINC000411965277 404036803 /nfs/dbraw/zinc/03/68/03/404036803.db2.gz KBUSZUSUGOQLSZ-LJQANCHMSA-N 0 3 323.371 2.326 20 30 DEEDHN C[C@@H]1C[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000348412211 404065671 /nfs/dbraw/zinc/06/56/71/404065671.db2.gz QUMRMLATDBRWLI-XOKHGSTOSA-N 0 3 311.385 2.172 20 30 DEEDHN CN(CC1CCOCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348422431 404068741 /nfs/dbraw/zinc/06/87/41/404068741.db2.gz NWIDICPTQHGPOX-QGZVFWFLSA-N 0 3 311.385 2.126 20 30 DEEDHN CN1CCC2(CCCN2C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000352002419 404069427 /nfs/dbraw/zinc/06/94/27/404069427.db2.gz HBKDBHVHFYFVSK-UHFFFAOYSA-N 0 3 312.417 2.057 20 30 DEEDHN CCOC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000348469927 404072302 /nfs/dbraw/zinc/07/23/02/404072302.db2.gz PBJBPJQTZSLSAX-OAHLLOKOSA-N 0 3 309.454 2.322 20 30 DEEDHN CN(C)C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(F)cc1 ZINC000290290405 404113494 /nfs/dbraw/zinc/11/34/94/404113494.db2.gz BMNFTTXVVPNUDY-HNNXBMFYSA-N 0 3 300.337 2.058 20 30 DEEDHN C[C@H](CNC(=O)c1coc(C2CCOCC2)n1)N(C)C1CC1 ZINC000328688890 404130630 /nfs/dbraw/zinc/13/06/30/404130630.db2.gz QEUAVXZEAMFURK-LLVKDONJSA-N 0 3 307.394 2.356 20 30 DEEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ncccn1 ZINC000328688758 404130825 /nfs/dbraw/zinc/13/08/25/404130825.db2.gz HTNZFJFWEKPBHW-QWRGUYRKSA-N 0 3 303.366 2.084 20 30 DEEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)NC[C@H]1CCCO1 ZINC000328693354 404132956 /nfs/dbraw/zinc/13/29/56/404132956.db2.gz JPAZWCVJCDIAIH-YNEHKIRRSA-N 0 3 309.410 2.142 20 30 DEEDHN N#CCN1CCC[C@@H](CNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000328710215 404137380 /nfs/dbraw/zinc/13/73/80/404137380.db2.gz QZDGMIPZUXKXSR-AWEZNQCLSA-N 0 3 304.438 2.053 20 30 DEEDHN CCN1CCC(NC(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000328734706 404141037 /nfs/dbraw/zinc/14/10/37/404141037.db2.gz IOOCRZWAKGDQPJ-UHFFFAOYSA-N 0 3 307.394 2.358 20 30 DEEDHN COc1ccccc1COC1CCN(C(=O)C(C)C#N)CC1 ZINC000355013459 404155552 /nfs/dbraw/zinc/15/55/52/404155552.db2.gz QCEPSYOSZNGMAQ-CYBMUJFWSA-N 0 3 302.374 2.362 20 30 DEEDHN CCN1CCC(NC(=O)N2CCC[C@H](c3cc(C)n[nH]3)C2)CC1 ZINC000328762368 404145310 /nfs/dbraw/zinc/14/53/10/404145310.db2.gz YRKGPDUIQGHJKC-AWEZNQCLSA-N 0 3 319.453 2.296 20 30 DEEDHN O=C(Nc1nccn1-c1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000328759999 404145417 /nfs/dbraw/zinc/14/54/17/404145417.db2.gz XDTIVTXZONBEBW-HNNXBMFYSA-N 0 3 311.389 2.198 20 30 DEEDHN COc1ccc([C@H](CN(C)C)NC(=O)NCC(C)(C)C#N)cc1 ZINC000355091289 404212744 /nfs/dbraw/zinc/21/27/44/404212744.db2.gz ZPNDMKXIUSINFK-HNNXBMFYSA-N 0 3 318.421 2.147 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000344480574 404168700 /nfs/dbraw/zinc/16/87/00/404168700.db2.gz GLAUJGYTMRVZQD-CBBWQLFWSA-N 0 3 321.465 2.367 20 30 DEEDHN Cc1cccnc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349633463 404171704 /nfs/dbraw/zinc/17/17/04/404171704.db2.gz SCEUDTPATXFZFC-MRXNPFEDSA-N 0 3 304.353 2.260 20 30 DEEDHN C#Cc1ccc(CNCc2ccnc(OCCN(C)C)c2)cc1 ZINC000290532636 404209770 /nfs/dbraw/zinc/20/97/70/404209770.db2.gz YFWBGPJMAQHNII-UHFFFAOYSA-N 0 3 309.413 2.293 20 30 DEEDHN C#CCOc1ccccc1CN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000290609685 404241096 /nfs/dbraw/zinc/24/10/96/404241096.db2.gz WLGZSYRHMQEKBK-KRWDZBQOSA-N 0 3 312.413 2.143 20 30 DEEDHN N#Cc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1F ZINC000352256013 404250158 /nfs/dbraw/zinc/25/01/58/404250158.db2.gz FQITXSBLROQAOW-OAHLLOKOSA-N 0 3 301.365 2.398 20 30 DEEDHN CC(C)[C@@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)N1CCCC1=O ZINC000329269707 404285867 /nfs/dbraw/zinc/28/58/67/404285867.db2.gz FHETWAIKVFCPIO-BBRMVZONSA-N 0 3 307.438 2.240 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(CO)c2)cc1 ZINC000350151873 404333787 /nfs/dbraw/zinc/33/37/87/404333787.db2.gz IVYGILOIJSCCEY-GOSISDBHSA-N 0 3 319.364 2.049 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](c2ccccc2C)C1 ZINC000296852445 404343326 /nfs/dbraw/zinc/34/33/26/404343326.db2.gz KBUYGSNYIIXGRO-QGZVFWFLSA-N 0 3 313.445 2.449 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCOC2(CCC2)C1)C1=CCN(C)CC1 ZINC000329332701 404305132 /nfs/dbraw/zinc/30/51/32/404305132.db2.gz JUEVYCYVWPXAHH-DZGCQCFKSA-N 0 3 307.438 2.242 20 30 DEEDHN O=C(Nc1cccc2c1OCO2)NC1CCN(C2CC2)CC1 ZINC000329356099 404312383 /nfs/dbraw/zinc/31/23/83/404312383.db2.gz ZEQRUQSUXHBUGM-UHFFFAOYSA-N 0 3 303.362 2.368 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000290817457 404324260 /nfs/dbraw/zinc/32/42/60/404324260.db2.gz VLORCKBEUYXCFS-PKOBYXMFSA-N 0 3 316.445 2.340 20 30 DEEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)n2C)c(F)c1 ZINC000412590645 404364292 /nfs/dbraw/zinc/36/42/92/404364292.db2.gz YOTWQZLCAIYDBE-UHFFFAOYSA-N 0 3 300.337 2.350 20 30 DEEDHN C#CCOc1ccc(CNC(=O)CC2CCN(C)CC2)cc1 ZINC000296911164 404368326 /nfs/dbraw/zinc/36/83/26/404368326.db2.gz HQLJDCGTEJLHRM-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN COc1ccc(CNC(=O)C2CCN(CCCC#N)CC2)cc1 ZINC000350475414 404396691 /nfs/dbraw/zinc/39/66/91/404396691.db2.gz IHGILJOLXMZLPO-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN C=CCOCC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000356225631 404407384 /nfs/dbraw/zinc/40/73/84/404407384.db2.gz RZWYGLJKNANJQN-UHFFFAOYSA-N 0 3 317.433 2.349 20 30 DEEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329674114 404418624 /nfs/dbraw/zinc/41/86/24/404418624.db2.gz VGCWTFFYOQKVPO-DHMWGJHJSA-N 0 3 323.437 2.281 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329926251 404497511 /nfs/dbraw/zinc/49/75/11/404497511.db2.gz KMJJGPDAMIZHNT-YJBOKZPZSA-N 0 3 323.481 2.424 20 30 DEEDHN COCC1(CNC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CCCCC1 ZINC000329746055 404439302 /nfs/dbraw/zinc/43/93/02/404439302.db2.gz RQCFBWGLANBGKX-KKUMJFAQSA-N 0 3 310.438 2.200 20 30 DEEDHN CNC(=O)[C@@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000329758037 404441720 /nfs/dbraw/zinc/44/17/20/404441720.db2.gz NIVKEGFBWKZEOD-CQSZACIVSA-N 0 3 313.405 2.374 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000350753081 404462824 /nfs/dbraw/zinc/46/28/24/404462824.db2.gz WBQIFFABCWDWCJ-KGLIPLIRSA-N 0 3 314.437 2.378 20 30 DEEDHN N#CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000345158528 404584454 /nfs/dbraw/zinc/58/44/54/404584454.db2.gz YUASICGCOFUIHZ-HNNXBMFYSA-N 0 3 303.381 2.458 20 30 DEEDHN CCCN1CCC[C@H]1C(=O)NC1CCN(c2nccn2C)CC1 ZINC000330084543 404548720 /nfs/dbraw/zinc/54/87/20/404548720.db2.gz LBFLPORUAFJAKX-HNNXBMFYSA-N 0 3 319.453 2.220 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccnnc1)C(C)C ZINC000297319421 404551830 /nfs/dbraw/zinc/55/18/30/404551830.db2.gz CZEFZAGSIYSTKS-OAHLLOKOSA-N 0 3 303.410 2.297 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330362085 404638378 /nfs/dbraw/zinc/63/83/78/404638378.db2.gz ZCXPMGNNPMRYSU-QLFBSQMISA-N 0 3 309.454 2.009 20 30 DEEDHN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cn1 ZINC000330258752 404605262 /nfs/dbraw/zinc/60/52/62/404605262.db2.gz ROYYEBWCYSSKGQ-INWMFGNUSA-N 0 3 317.437 2.426 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1ccnc1C)C(C)C ZINC000297736725 404606329 /nfs/dbraw/zinc/60/63/29/404606329.db2.gz ZULGJTCYSMQCKO-MRXNPFEDSA-N 0 3 304.438 2.006 20 30 DEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000330337862 404629828 /nfs/dbraw/zinc/62/98/28/404629828.db2.gz UOAHVTUUZGSQBH-KQTLUZQSSA-N 0 3 309.454 2.176 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000356784450 404690972 /nfs/dbraw/zinc/69/09/72/404690972.db2.gz UZOYAVHRYSKKOO-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN CC(C#N)C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000357807907 404744560 /nfs/dbraw/zinc/74/45/60/404744560.db2.gz MQENCDROBLCLLE-NSHDSACASA-N 0 3 300.387 2.414 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](OC)c2ccccc2)CC1 ZINC000358796226 404776321 /nfs/dbraw/zinc/77/63/21/404776321.db2.gz PWUKHYXMNDDKLW-QGZVFWFLSA-N 0 3 317.433 2.324 20 30 DEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCCO1 ZINC000366343270 404787764 /nfs/dbraw/zinc/78/77/64/404787764.db2.gz ROOLJOIJORAOGE-MRXNPFEDSA-N 0 3 311.385 2.268 20 30 DEEDHN Cc1nc(NC[C@@H](O)CN2CCC(C)CC2)c(Cl)cc1C#N ZINC000360067061 404815206 /nfs/dbraw/zinc/81/52/06/404815206.db2.gz UMCKFSAQMCZTOD-CQSZACIVSA-N 0 3 322.840 2.420 20 30 DEEDHN COCCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000360339818 404825733 /nfs/dbraw/zinc/82/57/33/404825733.db2.gz ZWNDCFLAXCFYCM-LBPRGKRZSA-N 0 3 323.356 2.204 20 30 DEEDHN C[C@@H]1CN(CCCNC(=O)[C@]2(C#N)CC23CCCC3)CCCO1 ZINC000451182154 404890596 /nfs/dbraw/zinc/89/05/96/404890596.db2.gz GYDJREAZFOYOTE-CRAIPNDOSA-N 0 3 319.449 2.078 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451357523 404966017 /nfs/dbraw/zinc/96/60/17/404966017.db2.gz ATEDGIXOHRRCEA-DZXRDFMUSA-N 0 3 301.434 2.185 20 30 DEEDHN Cc1cc(CN(C)CCN2CCOC(C)(C)C2)ccc1C#N ZINC000434703691 404927806 /nfs/dbraw/zinc/92/78/06/404927806.db2.gz VHVIVXVWRSDHFX-UHFFFAOYSA-N 0 3 301.434 2.409 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000434998811 404950221 /nfs/dbraw/zinc/95/02/21/404950221.db2.gz CVRFZUYGNOFXSX-UHFFFAOYSA-N 0 3 311.429 2.390 20 30 DEEDHN CCN(Cc1cccc(NC(=O)[C@H](N)CCCC#N)c1)C(C)=O ZINC000424089919 405002646 /nfs/dbraw/zinc/00/26/46/405002646.db2.gz BDSZEYMYBSKSKT-MRXNPFEDSA-N 0 3 316.405 2.015 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000424099003 405005796 /nfs/dbraw/zinc/00/57/96/405005796.db2.gz FCBGCPVOECJEIR-ZIAGYGMSSA-N 0 3 305.353 2.177 20 30 DEEDHN Cc1cc(C)n(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)n1 ZINC000424101053 405006173 /nfs/dbraw/zinc/00/61/73/405006173.db2.gz XTVFMYFRWHKWSH-MRXNPFEDSA-N 0 3 311.389 2.449 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1F ZINC000424119359 405013032 /nfs/dbraw/zinc/01/30/32/405013032.db2.gz FQVGLZZSSUHJFN-OCCSQVGLSA-N 0 3 307.369 2.120 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000424124502 405014381 /nfs/dbraw/zinc/01/43/81/405014381.db2.gz OYELJRPDTIZGNI-WOPDTQHZSA-N 0 3 305.344 2.492 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(-n2cccn2)c1 ZINC000424131357 405016530 /nfs/dbraw/zinc/01/65/30/405016530.db2.gz UWYQWVITGUYMSD-XJKSGUPXSA-N 0 3 311.389 2.071 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(-n2ccnc2)c1 ZINC000424141587 405019712 /nfs/dbraw/zinc/01/97/12/405019712.db2.gz GQDSEYKPRSQIGL-BBRMVZONSA-N 0 3 311.389 2.071 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000451751457 405023360 /nfs/dbraw/zinc/02/33/60/405023360.db2.gz BMLSQOKWKDRIIW-PMPSAXMXSA-N 0 3 306.381 2.136 20 30 DEEDHN CN(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424171048 405027999 /nfs/dbraw/zinc/02/79/99/405027999.db2.gz IRQVPSDHTXWELW-GJZGRUSLSA-N 0 3 322.840 2.080 20 30 DEEDHN Cc1ccc(-n2cc(NC(=O)[C@H](N)CCCC#N)cn2)c(C)c1 ZINC000424170944 405028031 /nfs/dbraw/zinc/02/80/31/405028031.db2.gz LNNJTJUSUNDRCX-OAHLLOKOSA-N 0 3 311.389 2.449 20 30 DEEDHN Cc1ccc(Br)cc1CNC(=O)[C@@H](N)CCCC#N ZINC000424177908 405031486 /nfs/dbraw/zinc/03/14/86/405031486.db2.gz VJMPVELBDBAVOC-ZDUSSCGKSA-N 0 3 324.222 2.395 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000424182687 405032684 /nfs/dbraw/zinc/03/26/84/405032684.db2.gz UNSSQQKQWPDTOV-CABCVRRESA-N 0 3 321.808 2.341 20 30 DEEDHN C=C(C)CS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000435432929 404980623 /nfs/dbraw/zinc/98/06/23/404980623.db2.gz PDSOTKMLDQZFCN-OKILXGFUSA-N 0 3 302.484 2.238 20 30 DEEDHN COc1ccc2cc(CNC(=O)[C@H](N)CCCC#N)ccc2c1 ZINC000424063294 404991508 /nfs/dbraw/zinc/99/15/08/404991508.db2.gz INYXSWTXUFMJJY-QGZVFWFLSA-N 0 3 311.385 2.486 20 30 DEEDHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H](N)CCCC#N ZINC000424066438 404992973 /nfs/dbraw/zinc/99/29/73/404992973.db2.gz NHEUGIIAGCUSAT-CQSZACIVSA-N 0 3 319.405 2.073 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCCSc1ccc(F)cc1 ZINC000424077321 404996917 /nfs/dbraw/zinc/99/69/17/404996917.db2.gz NSXQNNHLJIZDOR-AWEZNQCLSA-N 0 3 309.410 2.445 20 30 DEEDHN COC1(CN2CCN(c3cc(C#N)ccn3)CC2)CCCC1 ZINC000361500199 405103986 /nfs/dbraw/zinc/10/39/86/405103986.db2.gz BGBPNXCMYVDIEW-UHFFFAOYSA-N 0 3 300.406 2.034 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000367620503 405104949 /nfs/dbraw/zinc/10/49/49/405104949.db2.gz CVFGMUGXYMHQGF-DZJNRPSUSA-N 0 3 314.429 2.065 20 30 DEEDHN CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424474739 405105067 /nfs/dbraw/zinc/10/50/67/405105067.db2.gz IODAPRGOCBQUAW-BJJXKVORSA-N 0 3 300.406 2.240 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@@H]2CCCCN2CCCC)nn1 ZINC000424621300 405131457 /nfs/dbraw/zinc/13/14/57/405131457.db2.gz APESXNMPUHQGNQ-HNNXBMFYSA-N 0 3 319.453 2.239 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000361658074 405185684 /nfs/dbraw/zinc/18/56/84/405185684.db2.gz OLCUXRLNIZGKFC-KRWDZBQOSA-N 0 3 312.413 2.157 20 30 DEEDHN CS[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1N1CCCC1 ZINC000425246771 405263227 /nfs/dbraw/zinc/26/32/27/405263227.db2.gz WTYBLOQUNWSENC-JKSUJKDBSA-N 0 3 302.447 2.278 20 30 DEEDHN CC(C#N)C(=O)NCc1nc2ccc(Br)cc2o1 ZINC000425327310 405273851 /nfs/dbraw/zinc/27/38/51/405273851.db2.gz MRXHMHGZNDWUMY-ZETCQYMHSA-N 0 3 308.135 2.366 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420793813 405385695 /nfs/dbraw/zinc/38/56/95/405385695.db2.gz QYROYYUTLQMDKJ-UHFFFAOYSA-N 0 3 318.446 2.459 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000448609308 405426914 /nfs/dbraw/zinc/42/69/14/405426914.db2.gz ZVDMSQGUHJURIF-INIZCTEOSA-N 0 3 310.401 2.098 20 30 DEEDHN Cn1nccc1N1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000447078895 405401763 /nfs/dbraw/zinc/40/17/63/405401763.db2.gz VYYULQUJXPONDG-OAHLLOKOSA-N 0 3 313.380 2.189 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000427468808 405407208 /nfs/dbraw/zinc/40/72/08/405407208.db2.gz HBKRHHIWZPFRPF-FXUDXRNXSA-N 0 3 324.490 2.006 20 30 DEEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CCCN1C ZINC000420994025 405422755 /nfs/dbraw/zinc/42/27/55/405422755.db2.gz BQXXPBHJJFQJOZ-CQSZACIVSA-N 0 3 320.824 2.176 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000448692745 405436999 /nfs/dbraw/zinc/43/69/99/405436999.db2.gz YYRGUZLDCJJJKR-DNVCBOLYSA-N 0 3 311.429 2.359 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000448732551 405442542 /nfs/dbraw/zinc/44/25/42/405442542.db2.gz DGFKTBSNYQJRPZ-UHFFFAOYSA-N 0 3 312.373 2.388 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(F)cc1F ZINC000429720279 405445223 /nfs/dbraw/zinc/44/52/23/405445223.db2.gz PWYYHCSAUAJOHX-UHFFFAOYSA-N 0 3 311.376 2.343 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000429719023 405445679 /nfs/dbraw/zinc/44/56/79/405445679.db2.gz GALAZPIBPVKMSO-UHFFFAOYSA-N 0 3 318.421 2.146 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000448921527 405463946 /nfs/dbraw/zinc/46/39/46/405463946.db2.gz NMVRUMSASILASG-INIZCTEOSA-N 0 3 313.445 2.280 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000448953210 405470470 /nfs/dbraw/zinc/47/04/70/405470470.db2.gz HNHVAADGHVZVEY-OIISXLGYSA-N 0 3 302.418 2.214 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000556295788 405472287 /nfs/dbraw/zinc/47/22/87/405472287.db2.gz HUKNEFSPRYZZBZ-LSDHHAIUSA-N 0 3 319.449 2.266 20 30 DEEDHN COc1cccc([C@@H](CNC[C@@H](C#N)CCC#N)N(C)C)c1 ZINC000556481253 405485339 /nfs/dbraw/zinc/48/53/39/405485339.db2.gz LPHWJPBZJLXOAY-RHSMWYFYSA-N 0 3 300.406 2.331 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000456757347 405551122 /nfs/dbraw/zinc/55/11/22/405551122.db2.gz HWYHXRIQLLQXCO-SJORKVTESA-N 0 3 311.385 2.173 20 30 DEEDHN CC[C@@H]1CN(CCN[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000494438242 405696826 /nfs/dbraw/zinc/69/68/26/405696826.db2.gz QEQSTUGULULOSQ-DZGCQCFKSA-N 0 3 305.397 2.459 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](CCCO)C1 ZINC000457144298 405723104 /nfs/dbraw/zinc/72/31/04/405723104.db2.gz MUJGJRHVFNKNBL-DLBZAZTESA-N 0 3 300.402 2.380 20 30 DEEDHN COCc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1C#N ZINC000529209949 405753222 /nfs/dbraw/zinc/75/32/22/405753222.db2.gz BQSIRRYDTRTEPP-LRDDRELGSA-N 0 3 316.405 2.309 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](O)CN2CCCCC2)CCCCC1 ZINC000450231340 405789398 /nfs/dbraw/zinc/78/93/98/405789398.db2.gz JIWRLHIIEUOMPW-MRXNPFEDSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529719454 405765770 /nfs/dbraw/zinc/76/57/70/405765770.db2.gz NIBGJGASSGNPBB-BRWVUGGUSA-N 0 3 306.450 2.491 20 30 DEEDHN CC(C)O[C@@]1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000529971425 405771668 /nfs/dbraw/zinc/77/16/68/405771668.db2.gz VWWAHXZXYRMCME-JZXOWHBKSA-N 0 3 311.385 2.313 20 30 DEEDHN N#CC[C@]1(O)CCN(C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000592154858 405879877 /nfs/dbraw/zinc/87/98/77/405879877.db2.gz UWZKVSQRISVLMB-OALUTQOASA-N 0 3 310.397 2.094 20 30 DEEDHN C[C@H]1CCN(C)CCN1c1ncc(Br)cc1C#N ZINC000450330214 405837840 /nfs/dbraw/zinc/83/78/40/405837840.db2.gz OBNIGPUUNHRYEB-JTQLQIEISA-N 0 3 309.211 2.246 20 30 DEEDHN C#CCCCN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495221454 405844901 /nfs/dbraw/zinc/84/49/01/405844901.db2.gz MWYKKABSBWBIKB-GJZGRUSLSA-N 0 3 310.438 2.404 20 30 DEEDHN Cc1ccc(NC(=O)NCC2(C#N)CC2)c(OCCN(C)C)c1 ZINC000584209466 405846403 /nfs/dbraw/zinc/84/64/03/405846403.db2.gz CXANUXAZAVXYEL-UHFFFAOYSA-N 0 3 316.405 2.361 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495785836 405935006 /nfs/dbraw/zinc/93/50/06/405935006.db2.gz KJZLKWFVEQITRH-KBPBESRZSA-N 0 3 311.426 2.152 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000495828234 405936337 /nfs/dbraw/zinc/93/63/37/405936337.db2.gz VAEVTLNSJMORHB-UONOGXRCSA-N 0 3 307.394 2.150 20 30 DEEDHN CN1CCC(NN=C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495968289 405942681 /nfs/dbraw/zinc/94/26/81/405942681.db2.gz HPFHVOWGSUUOHC-UHFFFAOYSA-N 0 3 310.442 2.057 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1C[C@@H](O)C1)C(C)C ZINC000636573814 406013723 /nfs/dbraw/zinc/01/37/23/406013723.db2.gz IFNDGOCKWBYDJD-IXDOHACOSA-N 0 3 323.481 2.097 20 30 DEEDHN COCC1(NC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000562277458 405974681 /nfs/dbraw/zinc/97/46/81/405974681.db2.gz JYBQAEAOTWLUHI-MRXNPFEDSA-N 0 3 316.401 2.071 20 30 DEEDHN N#CC1(CNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000567445163 406096680 /nfs/dbraw/zinc/09/66/80/406096680.db2.gz ZJOSRCSVRHKSGV-INIZCTEOSA-N 0 3 312.417 2.111 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000564217846 406062854 /nfs/dbraw/zinc/06/28/54/406062854.db2.gz WMBYHHMZFJMELL-WMLDXEAASA-N 0 3 324.852 2.429 20 30 DEEDHN CCSc1cccc(CNC[C@H](O)CN(C)CCC#N)c1 ZINC000564859548 406067242 /nfs/dbraw/zinc/06/72/42/406067242.db2.gz GHWWHVLPSSTARX-HNNXBMFYSA-N 0 3 307.463 2.095 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CCC3(F)F)C2)cc1 ZINC000516943833 406113733 /nfs/dbraw/zinc/11/37/33/406113733.db2.gz QBDYOLPZPUPJKG-AWEZNQCLSA-N 0 3 315.323 2.498 20 30 DEEDHN CN(Cc1ccccn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471784539 406119176 /nfs/dbraw/zinc/11/91/76/406119176.db2.gz AQHOVLYLZYVXFT-MRXNPFEDSA-N 0 3 304.353 2.294 20 30 DEEDHN CN1CC[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 ZINC000534280026 406176341 /nfs/dbraw/zinc/17/63/41/406176341.db2.gz OPYBMDMWRGBOTP-AAEUAGOBSA-N 0 3 322.206 2.082 20 30 DEEDHN OCC1([C@H](NCC#Cc2ccc(F)cc2)[C@@H]2CCCO2)CCC1 ZINC000639768028 406243521 /nfs/dbraw/zinc/24/35/21/406243521.db2.gz RABGRJXAVCACDS-ZWKOTPCHSA-N 0 3 317.404 2.477 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C[C@@H]1C ZINC000536560938 406266241 /nfs/dbraw/zinc/26/62/41/406266241.db2.gz XZXLDBMPDYVOOY-UONOGXRCSA-N 0 3 315.417 2.259 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000537159459 406284472 /nfs/dbraw/zinc/28/44/72/406284472.db2.gz VCECVHZKCXTLML-CQSZACIVSA-N 0 3 315.417 2.393 20 30 DEEDHN CC(C)[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCN1C ZINC000488056865 406289489 /nfs/dbraw/zinc/28/94/89/406289489.db2.gz VICFVGAWQIBCRA-KRWDZBQOSA-N 0 3 314.433 2.159 20 30 DEEDHN C=CCCCCCN1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000639973272 406339555 /nfs/dbraw/zinc/33/95/55/406339555.db2.gz JSVXVDUXPBGJGH-INIZCTEOSA-N 0 3 304.438 2.361 20 30 DEEDHN C[C@H]1[C@H](CO)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000488762754 406346651 /nfs/dbraw/zinc/34/66/51/406346651.db2.gz PPTGPOQQKLSQGA-BBRMVZONSA-N 0 3 310.401 2.161 20 30 DEEDHN CCCN(CC#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522176249 406396913 /nfs/dbraw/zinc/39/69/13/406396913.db2.gz SNCCJQSXFKPYFC-INIZCTEOSA-N 0 3 300.406 2.056 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000489430227 406404192 /nfs/dbraw/zinc/40/41/92/406404192.db2.gz QIEAJYYQRSIFAM-KBPBESRZSA-N 0 3 306.362 2.375 20 30 DEEDHN CC(C)(C)[C@@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000570516261 406404374 /nfs/dbraw/zinc/40/43/74/406404374.db2.gz SLIHAZAPPVXBTJ-CABCVRRESA-N 0 3 313.405 2.284 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(C)CCC(OC)CC2)CC1 ZINC000490718814 406485953 /nfs/dbraw/zinc/48/59/53/406485953.db2.gz KAEAMIDSYXFNCG-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C(=O)NC[C@]1(N(C)C)CCSC1)C1CCCC1 ZINC000490802950 406493585 /nfs/dbraw/zinc/49/35/85/406493585.db2.gz IQPLFDRFEMDSRO-MRXNPFEDSA-N 0 3 309.479 2.011 20 30 DEEDHN C=CCn1cccc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000490022774 406447059 /nfs/dbraw/zinc/44/70/59/406447059.db2.gz HDXTZNJODUJSPG-HZPDHXFCSA-N 0 3 319.449 2.293 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000491265533 406557094 /nfs/dbraw/zinc/55/70/94/406557094.db2.gz LGVLLNZLFSYQFU-UHFFFAOYSA-N 0 3 313.445 2.362 20 30 DEEDHN C#C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000491266763 406557992 /nfs/dbraw/zinc/55/79/92/406557992.db2.gz QIBBZGCPONZTJA-HOTGVXAUSA-N 0 3 303.381 2.236 20 30 DEEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491450529 406594871 /nfs/dbraw/zinc/59/48/71/406594871.db2.gz AXCRVGGQAHCDCX-QWHCGFSZSA-N 0 3 304.390 2.422 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CSc2ccccc21 ZINC000491545073 406616951 /nfs/dbraw/zinc/61/69/51/406616951.db2.gz OVVXQFKQPHSYAW-AWEZNQCLSA-N 0 3 303.431 2.088 20 30 DEEDHN CC(C#N)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000491566286 406624555 /nfs/dbraw/zinc/62/45/55/406624555.db2.gz CHQLDCFSLNYHJW-NEPJUHHUSA-N 0 3 309.410 2.298 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@](C)(OC)c2ccccc2)CC1 ZINC000491392937 406584072 /nfs/dbraw/zinc/58/40/72/406584072.db2.gz FNPPYXSTVCCKEK-IBGZPJMESA-N 0 3 314.429 2.010 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527578485 406679281 /nfs/dbraw/zinc/67/92/81/406679281.db2.gz VPQWSYBDLBBKJJ-UHFFFAOYSA-N 0 3 306.406 2.293 20 30 DEEDHN C#CCNC(=O)C1CCN(CCCOc2ccccc2C)CC1 ZINC000491714354 406683465 /nfs/dbraw/zinc/68/34/65/406683465.db2.gz GJBDUZDCNLLCIT-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000491626865 406638835 /nfs/dbraw/zinc/63/88/35/406638835.db2.gz JEVHQVFOKCBLSB-OLZOCXBDSA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCNC(=O)CCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000491634237 406643018 /nfs/dbraw/zinc/64/30/18/406643018.db2.gz JNJUHPITNMLIQB-KBPBESRZSA-N 0 3 300.402 2.142 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000491636722 406643063 /nfs/dbraw/zinc/64/30/63/406643063.db2.gz LYWFDXYPFNYRRP-CQSZACIVSA-N 0 3 305.397 2.449 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cnccc1C(C)(C)C ZINC000491636166 406643273 /nfs/dbraw/zinc/64/32/73/406643273.db2.gz SRUSLQOROXOZOX-UHFFFAOYSA-N 0 3 316.449 2.133 20 30 DEEDHN C#CCNC(=O)CCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000491819384 406735205 /nfs/dbraw/zinc/73/52/05/406735205.db2.gz NQYRODNVZPZXLD-UHFFFAOYSA-N 0 3 310.319 2.424 20 30 DEEDHN CN(C)C/C=C\C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000491890011 406765609 /nfs/dbraw/zinc/76/56/09/406765609.db2.gz GMVZIQJTDVEVDT-UITAMQMPSA-N 0 3 310.319 2.291 20 30 DEEDHN C=CCn1c(SC[C@@H](O)CN(C)CC)nnc1-c1ccco1 ZINC000577291880 406835999 /nfs/dbraw/zinc/83/59/99/406835999.db2.gz HKWWFUDZNABALN-LBPRGKRZSA-N 0 3 322.434 2.129 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cn(-c2ccccc2F)nc1C ZINC000641767646 406887946 /nfs/dbraw/zinc/88/79/46/406887946.db2.gz NJTXSZITGVXZQZ-HNNXBMFYSA-N 0 3 301.365 2.184 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC001574962162 1069309610 /nfs/dbraw/zinc/30/96/10/1069309610.db2.gz GMRXGHOKFNEDBL-HUUCEWRRSA-N 0 3 324.428 2.318 20 30 DEEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(=O)[nH]1 ZINC000190951777 225098529 /nfs/dbraw/zinc/09/85/29/225098529.db2.gz FIUHZDDLIHDCRD-GFCCVEGCSA-N 0 3 304.309 2.117 20 30 DEEDHN C[C@@H]1CN(CC2CCN(C[C@@H](C#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000246533339 225227761 /nfs/dbraw/zinc/22/77/61/225227761.db2.gz GRTMMYVSGUPEPS-JFIYKMOQSA-N 0 3 318.465 2.251 20 30 DEEDHN N#CC1(NC(=O)c2ccc(CN3CCCC3)cc2)CCOCC1 ZINC000265152470 225326611 /nfs/dbraw/zinc/32/66/11/225326611.db2.gz BTIPZWCPNQFSMG-UHFFFAOYSA-N 0 3 313.401 2.085 20 30 DEEDHN Cc1c(Cl)cccc1NC(=O)NCC1(O)CCN(C)CC1 ZINC000330871763 226038481 /nfs/dbraw/zinc/03/84/81/226038481.db2.gz RGJRKPVMHAGUIF-UHFFFAOYSA-N 0 3 311.813 2.431 20 30 DEEDHN C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)N(C)C ZINC000331332165 226081724 /nfs/dbraw/zinc/08/17/24/226081724.db2.gz HVTKIDILOVKTAU-AWEZNQCLSA-N 0 3 317.433 2.454 20 30 DEEDHN O=C(NCC#Cc1cccc(F)c1)[C@@H](C1CC1)N1CCCC1 ZINC000338243122 226158966 /nfs/dbraw/zinc/15/89/66/226158966.db2.gz UAAJYHWVBFCMGO-QGZVFWFLSA-N 0 3 300.377 2.168 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000378388703 227212776 /nfs/dbraw/zinc/21/27/76/227212776.db2.gz JLJXXXFCQLJBQP-CQSZACIVSA-N 0 3 315.421 2.099 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001099043524 782034387 /nfs/dbraw/zinc/03/43/87/782034387.db2.gz PBXSLHYIGHUDAP-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN Cc1cc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)ncc1C#N ZINC000603112389 422443714 /nfs/dbraw/zinc/44/37/14/422443714.db2.gz HQVDKNUSGXAYMH-UKRRQHHQSA-N 0 3 313.405 2.352 20 30 DEEDHN Cc1cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)ncc1C#N ZINC000603117248 422445030 /nfs/dbraw/zinc/44/50/30/422445030.db2.gz OOJYXMUISYIQFL-HNNXBMFYSA-N 0 3 313.405 2.354 20 30 DEEDHN Cc1[nH]nc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000601680584 422426407 /nfs/dbraw/zinc/42/64/07/422426407.db2.gz SBIUYQVNNFTVQM-AWEZNQCLSA-N 0 3 309.373 2.050 20 30 DEEDHN C=CCONC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000834934085 649861441 /nfs/dbraw/zinc/86/14/41/649861441.db2.gz HMTMTDWUBFEALG-MRXNPFEDSA-N 0 3 303.406 2.240 20 30 DEEDHN CN1CCN(c2ccncc2NCc2cccc(C#N)c2)CC1 ZINC000533583287 269996750 /nfs/dbraw/zinc/99/67/50/269996750.db2.gz DNRBGZNBVAUUEZ-UHFFFAOYSA-N 0 3 307.401 2.317 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC001574962162 1069309628 /nfs/dbraw/zinc/30/96/28/1069309628.db2.gz GMRXGHOKFNEDBL-HUUCEWRRSA-N 0 3 324.428 2.318 20 30 DEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)s1 ZINC000548115047 424869523 /nfs/dbraw/zinc/86/95/23/424869523.db2.gz WLVBFORJKGABMK-UHFFFAOYSA-N 0 3 309.826 2.643 20 30 DEEDHN CCn1nc(NC(=O)N[C@H](C)CN2CCCCC2)cc1C1CC1 ZINC000330262677 424909332 /nfs/dbraw/zinc/90/93/32/424909332.db2.gz VJRHXZUEMIOPBN-CYBMUJFWSA-N 0 3 319.453 2.981 20 30 DEEDHN CC[C@H](C)n1nc(NC(=O)NCCN2CCCCC2)cc1C ZINC000330681628 424909881 /nfs/dbraw/zinc/90/98/81/424909881.db2.gz GPNZSEWPYYOANG-ZDUSSCGKSA-N 0 3 307.442 2.974 20 30 DEEDHN C[C@@H]1C[C@H](C)CN(CCSc2nc(N)c(C#N)cc2C#N)C1 ZINC000566497103 424911041 /nfs/dbraw/zinc/91/10/41/424911041.db2.gz SCBLQCLBDRAVGG-TXEJJXNPSA-N 0 3 315.446 2.477 20 30 DEEDHN CN(C)[C@H](CNc1cc(C#N)ncn1)c1ccc(Cl)cc1 ZINC000569682795 424924225 /nfs/dbraw/zinc/92/42/25/424924225.db2.gz NPBTVGDMOUACQA-CQSZACIVSA-N 0 3 301.781 2.716 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000648763015 424902767 /nfs/dbraw/zinc/90/27/67/424902767.db2.gz ASFYKCYNJWMEJI-SJORKVTESA-N 0 3 300.402 2.402 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccnn2CC(C)C)CC1 ZINC000648773637 424904296 /nfs/dbraw/zinc/90/42/96/424904296.db2.gz UOHVYHQFABGSIL-UHFFFAOYSA-N 0 3 304.438 2.309 20 30 DEEDHN C=C(C)[C@@H](CO)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000649407398 425012711 /nfs/dbraw/zinc/01/27/11/425012711.db2.gz KRTJZRNHPMVMIE-CHWSQXEVSA-N 0 3 316.323 2.491 20 30 DEEDHN CC[C@H](C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21)N(CC)CC ZINC000593844389 425009381 /nfs/dbraw/zinc/00/93/81/425009381.db2.gz MXUHIPXPAASMPM-OAHLLOKOSA-N 0 3 313.405 2.802 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000424127046 424991651 /nfs/dbraw/zinc/99/16/51/424991651.db2.gz PRUZHHIMEATXRK-CYBMUJFWSA-N 0 3 303.410 2.807 20 30 DEEDHN COC1CCN(CCNc2nc3ccccc3c(C)c2C#N)CC1 ZINC000590692783 424998351 /nfs/dbraw/zinc/99/83/51/424998351.db2.gz RJQPFTJOXUIGKJ-UHFFFAOYSA-N 0 3 324.428 2.938 20 30 DEEDHN C=CCCOCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000650862323 425068986 /nfs/dbraw/zinc/06/89/86/425068986.db2.gz XQMQKOSVQDQVQL-GOSISDBHSA-N 0 3 302.418 2.360 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000649407042 425013096 /nfs/dbraw/zinc/01/30/96/425013096.db2.gz DLEFZASSIFLMAH-HOTGVXAUSA-N 0 3 306.450 2.038 20 30 DEEDHN C=C(C)CN1CCC(Nc2cnc(N3CCCC3=O)cn2)CC1 ZINC000663568096 425189134 /nfs/dbraw/zinc/18/91/34/425189134.db2.gz PGFUFDXQYCQXCR-UHFFFAOYSA-N 0 3 315.421 2.056 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N2CC3CC2(C3)C1=O)C(C)C ZINC000656807370 425197194 /nfs/dbraw/zinc/19/71/94/425197194.db2.gz XTMGIVSNIDDFOZ-CSLYMUCUSA-N 0 3 317.433 2.112 20 30 DEEDHN C=CCN(C(=O)NCC(C)(C)N1CCCCC1)[C@@H](C)COC ZINC000663442923 425159440 /nfs/dbraw/zinc/15/94/40/425159440.db2.gz NCSDXQQLESMXBM-HNNXBMFYSA-N 0 3 311.470 2.483 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000660824880 425247029 /nfs/dbraw/zinc/24/70/29/425247029.db2.gz QHNBYRXJFXZKRX-IJEWVQPXSA-N 0 3 309.479 2.316 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc(OC)c2C)CC1 ZINC000660704219 425212553 /nfs/dbraw/zinc/21/25/53/425212553.db2.gz LZVKLAVQUXVKFG-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccccn2)CC1 ZINC000654431444 425352965 /nfs/dbraw/zinc/35/29/65/425352965.db2.gz LZIPCPVHWWYMTP-OAHLLOKOSA-N 0 3 316.449 2.352 20 30 DEEDHN C[C@H](C[C@H]1CCCO1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349530913 267166881 /nfs/dbraw/zinc/16/68/81/267166881.db2.gz WUBNCHGURFAXPJ-XOKHGSTOSA-N 0 3 311.385 2.314 20 30 DEEDHN C=CCN(CCc1nc2ccccc2c(=O)[nH]1)[C@@H](C)COC ZINC000661242218 425358594 /nfs/dbraw/zinc/35/85/94/425358594.db2.gz KXYXLSTUJNEPFG-ZDUSSCGKSA-N 0 3 301.390 2.401 20 30 DEEDHN Cc1cc(S(=O)(=O)NC(C)(C)CN2CCCC2)ccc1C#N ZINC000308698924 267356656 /nfs/dbraw/zinc/35/66/56/267356656.db2.gz PUBCNZZXGGVYKN-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000661378502 425394833 /nfs/dbraw/zinc/39/48/33/425394833.db2.gz HPMNMTZLMXRNQJ-IXDOHACOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CCN(C)C ZINC000665392980 425561732 /nfs/dbraw/zinc/56/17/32/425561732.db2.gz KOMUOEBNVQSAQC-SJORKVTESA-N 0 3 324.513 2.256 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccncc2)C1 ZINC000528503876 268296656 /nfs/dbraw/zinc/29/66/56/268296656.db2.gz AMAAIPMDNXNLJO-MSOLQXFVSA-N 0 3 323.396 2.182 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1C ZINC001088923101 782048024 /nfs/dbraw/zinc/04/80/24/782048024.db2.gz QPHKMAOVUZUDBS-VBQJREDUSA-N 0 3 312.413 2.226 20 30 DEEDHN CS[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1N1CCCC1 ZINC000352473168 274180212 /nfs/dbraw/zinc/18/02/12/274180212.db2.gz QEGNCNQYIIITAE-LSDHHAIUSA-N 0 3 321.490 2.499 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000454454366 275417554 /nfs/dbraw/zinc/41/75/54/275417554.db2.gz AVXFRLHHQXKFII-INIZCTEOSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1 ZINC000328744302 275427117 /nfs/dbraw/zinc/42/71/17/275427117.db2.gz NXYKFEANVIJWTA-ZDUSSCGKSA-N 0 3 308.426 2.038 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000454542798 275427639 /nfs/dbraw/zinc/42/76/39/275427639.db2.gz LMPYKIQDEDIOPO-HNNXBMFYSA-N 0 3 309.454 2.093 20 30 DEEDHN CN1CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419618541 277048374 /nfs/dbraw/zinc/04/83/74/277048374.db2.gz XDVHSBDRJXCHGC-KRWDZBQOSA-N 0 3 312.417 2.283 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000272509621 277174745 /nfs/dbraw/zinc/17/47/45/277174745.db2.gz WVLZCEOPFTWSBF-XHDPSFHLSA-N 0 3 302.353 2.255 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)CCCC)C(C)C ZINC000283666104 277847267 /nfs/dbraw/zinc/84/72/67/277847267.db2.gz BWDKSDYXOSBHRC-INIZCTEOSA-N 0 3 323.481 2.060 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(CO)CC1)C(C)C ZINC000079440241 277850472 /nfs/dbraw/zinc/85/04/72/277850472.db2.gz PAZRRAWKJSXJEN-QGZVFWFLSA-N 0 3 323.481 2.099 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000329455813 279295940 /nfs/dbraw/zinc/29/59/40/279295940.db2.gz MSAIHIOYKPJKCW-BWBHSNQOSA-N 0 3 322.409 2.240 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000328946039 279323663 /nfs/dbraw/zinc/32/36/63/279323663.db2.gz JVSMWIMVQNZJNU-SQWLQELKSA-N 0 3 320.437 2.329 20 30 DEEDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(C#N)c1 ZINC000179976412 279479416 /nfs/dbraw/zinc/47/94/16/279479416.db2.gz WJNLKHSHELKQBT-XJKSGUPXSA-N 0 3 302.374 2.131 20 30 DEEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@@]2(CCCOC2)O1 ZINC000369721109 288157847 /nfs/dbraw/zinc/15/78/47/288157847.db2.gz LSDACTAKVDQWJS-SJLPKXTDSA-N 0 3 322.449 2.357 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(OC)c2F)[C@H]1C ZINC001088936819 782063335 /nfs/dbraw/zinc/06/33/35/782063335.db2.gz DTKCGGJSMGYWLH-OCCSQVGLSA-N 0 3 304.365 2.050 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001424339975 1173765910 /nfs/dbraw/zinc/76/59/10/1173765910.db2.gz MDKLCAXREYARAF-HNNXBMFYSA-N 0 3 315.889 2.394 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001424698805 1173875562 /nfs/dbraw/zinc/87/55/62/1173875562.db2.gz HMACRPPJQRMDSS-DZGCQCFKSA-N 0 3 313.873 2.004 20 30 DEEDHN N#Cc1cncc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000573591081 326073054 /nfs/dbraw/zinc/07/30/54/326073054.db2.gz DGTKNCRIJSWTRU-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN COC(=O)c1ccc(NC[C@@H](C)N2CCC[C@@H](C)C2)c(C#N)n1 ZINC000575430187 326239510 /nfs/dbraw/zinc/23/95/10/326239510.db2.gz SLHWIBOWYLSGLI-CHWSQXEVSA-N 0 3 316.405 2.272 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CNCCc1nccs1 ZINC000570920606 332842160 /nfs/dbraw/zinc/84/21/60/332842160.db2.gz RQRJLSWTPXNQMT-HNNXBMFYSA-N 0 3 318.442 2.444 20 30 DEEDHN Cc1ccc2c(c1)[C@H](NC[C@H](O)CN(C)CCC#N)CCC2 ZINC000566122664 331977218 /nfs/dbraw/zinc/97/72/18/331977218.db2.gz RQKBOILIUPJQSX-FUHWJXTLSA-N 0 3 301.434 2.168 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000248734541 332633096 /nfs/dbraw/zinc/63/30/96/332633096.db2.gz BLZVLRYRPHXMFV-RLFYNMQTSA-N 0 3 319.445 2.389 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000497188364 333219492 /nfs/dbraw/zinc/21/94/92/333219492.db2.gz XANSGYQRYDEDQC-RBSFLKMASA-N 0 3 323.437 2.104 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000160328805 333220709 /nfs/dbraw/zinc/22/07/09/333220709.db2.gz ZGNONKURKJEODK-QGZVFWFLSA-N 0 3 318.461 2.330 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)cc1-n1cncn1 ZINC000519805307 335896314 /nfs/dbraw/zinc/89/63/14/335896314.db2.gz IFXZPTCSBDXZNQ-HIFRSBDPSA-N 0 3 304.781 2.354 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC)[C@H]1CCOC(C)(C)C1 ZINC000351949597 336182307 /nfs/dbraw/zinc/18/23/07/336182307.db2.gz QQQDNRSPXWPPFD-GJZGRUSLSA-N 0 3 309.454 2.274 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)c1cccc(SCC#N)c1 ZINC000186788295 337259615 /nfs/dbraw/zinc/25/96/15/337259615.db2.gz SUQAGBRPPXEQRJ-UHFFFAOYSA-N 0 3 303.431 2.468 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2C[C@H](C)NC[C@H]2C)c(OC)c1 ZINC000237122876 337468278 /nfs/dbraw/zinc/46/82/78/337468278.db2.gz GFAOMRZWCLNCPO-UONOGXRCSA-N 0 3 318.417 2.011 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(C)=O)c2C)CC1 ZINC000302999096 340293973 /nfs/dbraw/zinc/29/39/73/340293973.db2.gz MNYSYBLEKOFPOB-UHFFFAOYSA-N 0 3 313.401 2.237 20 30 DEEDHN CSc1ccccc1[C@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000564205311 340825345 /nfs/dbraw/zinc/82/53/45/340825345.db2.gz YTFYHYJVJLJSJG-UONOGXRCSA-N 0 3 307.463 2.265 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1(C#N)CC1 ZINC000564519347 341503107 /nfs/dbraw/zinc/50/31/07/341503107.db2.gz NTGMYKBRGWTEEZ-UHFFFAOYSA-N 0 3 318.396 2.203 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)CN(C)CCC ZINC001356996754 1152204522 /nfs/dbraw/zinc/20/45/22/1152204522.db2.gz SXULUJZLFYAEKC-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2C)[C@H]1C ZINC001089010068 782116491 /nfs/dbraw/zinc/11/64/91/782116491.db2.gz IVYIMSBQWIMWIP-WBVHZDCISA-N 0 3 316.449 2.063 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@@H](C)OC)NCc1ccc(C#N)c(F)c1 ZINC001378244211 1152248614 /nfs/dbraw/zinc/24/86/14/1152248614.db2.gz MSIFSYJDBAGSJU-DOMZBBRYSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(NC(C)=O)c2)[C@H]1C ZINC001089034650 782125910 /nfs/dbraw/zinc/12/59/10/782125910.db2.gz HZHVXCSPDPESAV-DYVFJYSZSA-N 0 3 315.417 2.414 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)NC1(C(=O)NC)CCCC1 ZINC001357244502 1152276615 /nfs/dbraw/zinc/27/66/15/1152276615.db2.gz ZIMHESHBQHKOCM-AWEZNQCLSA-N 0 3 311.470 2.239 20 30 DEEDHN CCCC[C@H](CN[C@H](C)c1n[nH]c(C)n1)NC(=O)C#CC(C)C ZINC001329876965 1149008263 /nfs/dbraw/zinc/00/82/63/1149008263.db2.gz TZOUBSCZKZYNLM-UKRRQHHQSA-N 0 3 319.453 2.098 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)C1(C)CCCC1 ZINC001329887903 1149009902 /nfs/dbraw/zinc/00/99/02/1149009902.db2.gz QMHHQXVHLRZMEE-INIZCTEOSA-N 0 3 308.466 2.481 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CCCCCN1CCOCC1CC1 ZINC001329920496 1149015232 /nfs/dbraw/zinc/01/52/32/1149015232.db2.gz JKYIUFLAINFCAJ-SFHVURJKSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001329971550 1149026254 /nfs/dbraw/zinc/02/62/54/1149026254.db2.gz LXLQMDMRUNTUKV-MRXNPFEDSA-N 0 3 316.445 2.443 20 30 DEEDHN CC[C@@H](SC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001398931708 1161156477 /nfs/dbraw/zinc/15/64/77/1161156477.db2.gz SUGLXRWULUKYNC-IAQYHMDHSA-N 0 3 323.437 2.433 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H](C)C2CCCC2)C1 ZINC001330073047 1149045184 /nfs/dbraw/zinc/04/51/84/1149045184.db2.gz YSFSUWPGCIUCDA-HUUCEWRRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000135175499 500581683 /nfs/dbraw/zinc/58/16/83/500581683.db2.gz WVFVJWDVCCPYSB-PKOBYXMFSA-N 0 3 316.445 2.472 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CN(CCOCC2CC2)CC1(C)C ZINC001330190978 1149065741 /nfs/dbraw/zinc/06/57/41/1149065741.db2.gz IJYRYDHANUYUHS-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@H](O)CCCN1C[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001330202478 1149068002 /nfs/dbraw/zinc/06/80/02/1149068002.db2.gz IQRPYHFSWAURKE-LSDHHAIUSA-N 0 3 308.466 2.024 20 30 DEEDHN CSC[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000331208786 533736586 /nfs/dbraw/zinc/73/65/86/533736586.db2.gz ZZAVXQRUJBGBBD-QWHCGFSZSA-N 0 3 315.483 2.136 20 30 DEEDHN C[C@@H]1C[C@H](CO)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421935424 533882730 /nfs/dbraw/zinc/88/27/30/533882730.db2.gz AEXURCVCTZOUSI-PVAVHDDUSA-N 0 3 300.402 2.236 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]([C@H](C)NCc2ccccc2F)C1 ZINC001330382423 1149105053 /nfs/dbraw/zinc/10/50/53/1149105053.db2.gz IKDMHIYECSFGRO-YOEHRIQHSA-N 0 3 320.408 2.497 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001378873868 1152474857 /nfs/dbraw/zinc/47/48/57/1152474857.db2.gz OSXYRZQLMFPGIT-YEORSEQZSA-N 0 3 320.824 2.205 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccnc2OC(C)C)[C@H]1C ZINC001089090112 782161231 /nfs/dbraw/zinc/16/12/31/782161231.db2.gz JXCSHZWBPWKBAP-ZBFHGGJFSA-N 0 3 315.417 2.085 20 30 DEEDHN C=CC(C)(C)CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000454739968 534510905 /nfs/dbraw/zinc/51/09/05/534510905.db2.gz RFGFBSISZYTDOF-UHFFFAOYSA-N 0 3 320.437 2.033 20 30 DEEDHN N#CC1(F)CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000339186824 534567537 /nfs/dbraw/zinc/56/75/37/534567537.db2.gz VPRABJPXWOPMSI-OAHLLOKOSA-N 0 3 315.392 2.476 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000451671106 534571314 /nfs/dbraw/zinc/57/13/14/534571314.db2.gz FEWACLUJJNCMOI-WCXIOVBPSA-N 0 3 324.465 2.021 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001358794754 1152486480 /nfs/dbraw/zinc/48/64/80/1152486480.db2.gz LWOIDNIUJWWIQG-SFHVURJKSA-N 0 3 323.481 2.036 20 30 DEEDHN N#CCCOCCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000339027253 534648971 /nfs/dbraw/zinc/64/89/71/534648971.db2.gz CJWJYEAPMUOFQK-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN N#CCOc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000266428502 534699934 /nfs/dbraw/zinc/69/99/34/534699934.db2.gz XHNBVWQATOYOHF-HNNXBMFYSA-N 0 3 312.373 2.067 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@H]1CCCCN1CC(C)C ZINC000489668595 534743057 /nfs/dbraw/zinc/74/30/57/534743057.db2.gz SJNLQUMSZFRWPE-OAHLLOKOSA-N 0 3 302.484 2.383 20 30 DEEDHN C[C@@H](NC(=O)N(C)CCN1CCCC1)c1ccc(C#N)cc1 ZINC000112744357 525150354 /nfs/dbraw/zinc/15/03/54/525150354.db2.gz DSMBTKWYPPGOBE-CQSZACIVSA-N 0 3 300.406 2.356 20 30 DEEDHN C=CCN(CCOC)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000191077526 526299880 /nfs/dbraw/zinc/29/98/80/526299880.db2.gz UAANLKRQYSGFIT-AWEZNQCLSA-N 0 3 304.390 2.042 20 30 DEEDHN CC#CCN(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000297327829 526346702 /nfs/dbraw/zinc/34/67/02/526346702.db2.gz GKUBWXXOGWUZGT-UHFFFAOYSA-N 0 3 313.445 2.358 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2CCC(COC)CC2)CC1 ZINC000413243838 526430114 /nfs/dbraw/zinc/43/01/14/526430114.db2.gz QJJDEONPZPIMAC-UHFFFAOYSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncccc2Br)CC1 ZINC000193175628 526448752 /nfs/dbraw/zinc/44/87/52/526448752.db2.gz JPIRNSVCFABQEZ-UHFFFAOYSA-N 0 3 324.222 2.224 20 30 DEEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2[C@H](O)c2ccccc2)C1=O ZINC000368538790 526506574 /nfs/dbraw/zinc/50/65/74/526506574.db2.gz MTTLGRXLCNNGLM-FGTMMUONSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN1CC[C@H](N2CCNC[C@@H]2c2ccccc2Cl)C1=O ZINC000420311643 526509388 /nfs/dbraw/zinc/50/93/88/526509388.db2.gz NZAWSFAXHSGUST-JKSUJKDBSA-N 0 3 319.836 2.073 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000374508240 526527217 /nfs/dbraw/zinc/52/72/17/526527217.db2.gz USHOXGRICSUMRY-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(C)cc(N)c2)CC1 ZINC000417545588 526592007 /nfs/dbraw/zinc/59/20/07/526592007.db2.gz XWARSZBGROJBMX-UHFFFAOYSA-N 0 3 316.449 2.417 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000237518190 526619091 /nfs/dbraw/zinc/61/90/91/526619091.db2.gz PBZBWKYDEHMSRC-KRWDZBQOSA-N 0 3 316.405 2.465 20 30 DEEDHN N#Cc1cccc(OCCN2CCOC3(CCOCC3)CC2)c1 ZINC000364264681 526728112 /nfs/dbraw/zinc/72/81/12/526728112.db2.gz RPHTVESPFRWFKM-UHFFFAOYSA-N 0 3 316.401 2.209 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000435673815 526803500 /nfs/dbraw/zinc/80/35/00/526803500.db2.gz OMBBSDIUQMUHNF-IMJJTQAJSA-N 0 3 322.836 2.307 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H]2CCO[C@@H]2C2CC2)c(C#N)c1C ZINC000365346198 526880007 /nfs/dbraw/zinc/88/00/07/526880007.db2.gz VGYSNTCMYJAZJU-DZGCQCFKSA-N 0 3 319.430 2.332 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)CC1 ZINC000377133115 526930100 /nfs/dbraw/zinc/93/01/00/526930100.db2.gz VEHVZRHNFMKMPK-SJCJKPOMSA-N 0 3 316.376 2.109 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000342090271 526956766 /nfs/dbraw/zinc/95/67/66/526956766.db2.gz IBDMSOIFZIQBMZ-HUUCEWRRSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000341548670 526960528 /nfs/dbraw/zinc/96/05/28/526960528.db2.gz PLVNVKPDVKHMGZ-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000341416221 526963633 /nfs/dbraw/zinc/96/36/33/526963633.db2.gz GTZGRNWNHISVJE-GJZGRUSLSA-N 0 3 317.433 2.497 20 30 DEEDHN CC(C)(CCC#N)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418214676 526990159 /nfs/dbraw/zinc/99/01/59/526990159.db2.gz XMYXMMCELIUCMS-JKSUJKDBSA-N 0 3 314.433 2.453 20 30 DEEDHN C=CCSCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000338285388 526992345 /nfs/dbraw/zinc/99/23/45/526992345.db2.gz QGGMFCRCOTYFAQ-MRXNPFEDSA-N 0 3 321.490 2.378 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000367620505 527030728 /nfs/dbraw/zinc/03/07/28/527030728.db2.gz CVFGMUGXYMHQGF-HPBDAGMYSA-N 0 3 314.429 2.065 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000294652305 527073051 /nfs/dbraw/zinc/07/30/51/527073051.db2.gz HNVCIOYRNHJQLA-GJZGRUSLSA-N 0 3 320.458 2.115 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000341261317 527078022 /nfs/dbraw/zinc/07/80/22/527078022.db2.gz NRECFUKCEGCFRT-SNVBAGLBSA-N 0 3 315.316 2.291 20 30 DEEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000341869571 527082224 /nfs/dbraw/zinc/08/22/24/527082224.db2.gz AYDWFVHSTNANDY-VXGBXAGGSA-N 0 3 315.410 2.064 20 30 DEEDHN C#CCOc1ccc(CNC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000297330352 527101215 /nfs/dbraw/zinc/10/12/15/527101215.db2.gz BPYDUTWVUPOEDH-UHFFFAOYSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000341381601 527148814 /nfs/dbraw/zinc/14/88/14/527148814.db2.gz XJOVENBNZQHCBT-GJZGRUSLSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000341434585 527148967 /nfs/dbraw/zinc/14/89/67/527148967.db2.gz KEEIQSHWZKRDJE-CVEARBPZSA-N 0 3 322.497 2.151 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000375643635 527149544 /nfs/dbraw/zinc/14/95/44/527149544.db2.gz WDKKWVDNLLNRST-DLBZAZTESA-N 0 3 322.497 2.151 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339622761 527264501 /nfs/dbraw/zinc/26/45/01/527264501.db2.gz QQICJGKWLQQXQJ-JFIYKMOQSA-N 0 3 318.461 2.179 20 30 DEEDHN C#C[C@@H](NCc1ccccc1OCC(=O)NCC1CC1)C(C)C ZINC000289523525 527291591 /nfs/dbraw/zinc/29/15/91/527291591.db2.gz POGSGMUPNXKKDT-QGZVFWFLSA-N 0 3 314.429 2.339 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC000337919701 527313483 /nfs/dbraw/zinc/31/34/83/527313483.db2.gz XVCYRKCPWWHGKW-UHFFFAOYSA-N 0 3 303.454 2.195 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000428052869 527455728 /nfs/dbraw/zinc/45/57/28/527455728.db2.gz IZZOEOMWWZUAGR-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN Cn1ccnc1[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000365644662 527457196 /nfs/dbraw/zinc/45/71/96/527457196.db2.gz XXMHVIWUGQDQQS-SJORKVTESA-N 0 3 310.401 2.205 20 30 DEEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000369360604 527461441 /nfs/dbraw/zinc/46/14/41/527461441.db2.gz XXMYVYXBJYOINP-INIZCTEOSA-N 0 3 321.465 2.420 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2c1cnn2C)C(C)C ZINC000192828744 527646199 /nfs/dbraw/zinc/64/61/99/527646199.db2.gz CKEFCPYWTUFYBC-HNNXBMFYSA-N 0 3 314.437 2.474 20 30 DEEDHN CCCN(CCN1CCCCC1)CC(=O)N(CC)C[C@H](C)C#N ZINC000353157338 528082149 /nfs/dbraw/zinc/08/21/49/528082149.db2.gz VRGQLUXGAQNWFC-QGZVFWFLSA-N 0 3 322.497 2.192 20 30 DEEDHN CC[NH+]=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261794026 528817511 /nfs/dbraw/zinc/81/75/11/528817511.db2.gz OTFMWZCEEPQYMM-CABCVRRESA-N 0 3 323.412 2.400 20 30 DEEDHN CC[C@@H](C(=O)N(CCC#N)Cc1ccccn1)N(CC)CC ZINC000274061101 529274052 /nfs/dbraw/zinc/27/40/52/529274052.db2.gz LOIXRUPADBFRGI-INIZCTEOSA-N 0 3 302.422 2.444 20 30 DEEDHN CC[C@H]1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CCO1 ZINC000332381737 529326687 /nfs/dbraw/zinc/32/66/87/529326687.db2.gz HFCLMNDUBSFSAN-WBVHZDCISA-N 0 3 314.433 2.280 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246381158 535862506 /nfs/dbraw/zinc/86/25/06/535862506.db2.gz BWUFOSIBWZQAIR-PIIMJCKOSA-N 0 3 311.429 2.495 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001358852121 1152503591 /nfs/dbraw/zinc/50/35/91/1152503591.db2.gz SAUIKZRMNREFSL-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@H](CC)OC)C(C)C ZINC001378954457 1152504527 /nfs/dbraw/zinc/50/45/27/1152504527.db2.gz QGHQXHXMXUCTTG-NEPJUHHUSA-N 0 3 321.259 2.050 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C)[C@@H]1CO ZINC000305436846 536881765 /nfs/dbraw/zinc/88/17/65/536881765.db2.gz IZXMTVUKGGUBLA-HIFRSBDPSA-N 0 3 304.390 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001369741329 1149128716 /nfs/dbraw/zinc/12/87/16/1149128716.db2.gz BVNYHWGLRWCOGS-ZFWWWQNUSA-N 0 3 324.856 2.372 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCN(C(=O)C1(C)CCC1)C2 ZINC001327532411 1148579910 /nfs/dbraw/zinc/57/99/10/1148579910.db2.gz XOKAYKPFKJDQMW-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN Cc1cccnc1CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1C ZINC001327859375 1148660164 /nfs/dbraw/zinc/66/01/64/1148660164.db2.gz AXTSYTBJWCBSLA-DOTOQJQBSA-N 0 3 313.445 2.376 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccnc(OC)c2)C1 ZINC001327903485 1148673232 /nfs/dbraw/zinc/67/32/32/1148673232.db2.gz OFRUJGGUEPUKPF-ZBFHGGJFSA-N 0 3 317.433 2.383 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC1CCC1 ZINC001379494198 1152633164 /nfs/dbraw/zinc/63/31/64/1152633164.db2.gz WLMIDSQMPKNXEQ-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735412789 599476102 /nfs/dbraw/zinc/47/61/02/599476102.db2.gz KUVOYEVVMNDAMC-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735412789 599476105 /nfs/dbraw/zinc/47/61/05/599476105.db2.gz KUVOYEVVMNDAMC-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000735412789 599476107 /nfs/dbraw/zinc/47/61/07/599476107.db2.gz KUVOYEVVMNDAMC-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000735412789 599476110 /nfs/dbraw/zinc/47/61/10/599476110.db2.gz KUVOYEVVMNDAMC-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(F)c(F)cc3F)[C@@H]2C1 ZINC000978641001 634382648 /nfs/dbraw/zinc/38/26/48/634382648.db2.gz ICUAMQLEJFBMPB-XYYAHUGASA-N 0 3 322.330 2.035 20 30 DEEDHN Cc1cc(CNC[C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C2)on1 ZINC001330594591 1149206462 /nfs/dbraw/zinc/20/64/62/1149206462.db2.gz LCNOPVQXAXRGPL-HDJSIYSDSA-N 0 3 303.406 2.017 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1=CCOCC1 ZINC001025223769 625284968 /nfs/dbraw/zinc/28/49/68/625284968.db2.gz GGWPFDQVMRQJSA-MSOLQXFVSA-N 0 3 316.445 2.202 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1=CCOCC1 ZINC001025223770 625285497 /nfs/dbraw/zinc/28/54/97/625285497.db2.gz GGWPFDQVMRQJSA-QZTJIDSGSA-N 0 3 316.445 2.202 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)cn3ccnc23)C1 ZINC001023508399 625303491 /nfs/dbraw/zinc/30/34/91/625303491.db2.gz PCXDZDMINMBYSV-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001023525569 625309500 /nfs/dbraw/zinc/30/95/00/625309500.db2.gz YMDMMAVFMTUGFK-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1coc(OC)n1 ZINC001025254402 625310252 /nfs/dbraw/zinc/31/02/52/625310252.db2.gz ITXBUPZIHSCKPT-CABCVRRESA-N 0 3 319.405 2.328 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001023545092 625320167 /nfs/dbraw/zinc/32/01/67/625320167.db2.gz TVIWJBLHJWQGBO-INIZCTEOSA-N 0 3 301.434 2.452 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccnc(C)c1 ZINC001025284555 625326347 /nfs/dbraw/zinc/32/63/47/625326347.db2.gz MGJCPQAORBPNGW-ROUUACIJSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C#C)nc1 ZINC001025293184 625328053 /nfs/dbraw/zinc/32/80/53/625328053.db2.gz PQSKDDVEAZUXTK-RBUKOAKNSA-N 0 3 321.424 2.155 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccn(C)c2CC)C1 ZINC001023587463 625336005 /nfs/dbraw/zinc/33/60/05/625336005.db2.gz JSYJKDVZAUJDKC-HNNXBMFYSA-N 0 3 301.434 2.053 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001023631435 625363746 /nfs/dbraw/zinc/36/37/46/625363746.db2.gz UIUKATYWDGQMBM-MRXNPFEDSA-N 0 3 309.413 2.404 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C2CC3(C2)CCOCC3)C1 ZINC001023700767 625391485 /nfs/dbraw/zinc/39/14/85/625391485.db2.gz CZIIWOUYYGEWMW-MRXNPFEDSA-N 0 3 318.461 2.045 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001023717056 625396491 /nfs/dbraw/zinc/39/64/91/625396491.db2.gz BGNSXFDDMXESRY-OAHLLOKOSA-N 0 3 300.402 2.160 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ncccc2Cl)C1 ZINC001023712887 625397865 /nfs/dbraw/zinc/39/78/65/625397865.db2.gz RRVJHCFNYYCRCT-ZDUSSCGKSA-N 0 3 305.809 2.200 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2sc(COC)nc2C)C1 ZINC001023724485 625401658 /nfs/dbraw/zinc/40/16/58/625401658.db2.gz GATXMFHPTAJUFB-CYBMUJFWSA-N 0 3 323.462 2.226 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3nccnc3c2)C1 ZINC001023740161 625414717 /nfs/dbraw/zinc/41/47/17/625414717.db2.gz BFFHPLKQPFWBIM-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001023738476 625414761 /nfs/dbraw/zinc/41/47/61/625414761.db2.gz ADOILDWMXGNCAG-ZDUSSCGKSA-N 0 3 320.820 2.424 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC000972664989 625419253 /nfs/dbraw/zinc/41/92/53/625419253.db2.gz KQIDAQKCAXUAKE-LBPRGKRZSA-N 0 3 313.323 2.433 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001025432267 625428960 /nfs/dbraw/zinc/42/89/60/625428960.db2.gz SYEGCBAQFJUELJ-HZPDHXFCSA-N 0 3 316.449 2.003 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CC)n2)C1 ZINC001025442237 625437746 /nfs/dbraw/zinc/43/77/46/625437746.db2.gz KDIBPLCXVJNYRM-HZPDHXFCSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccn3c2CCCC3)C1 ZINC001025444395 625439310 /nfs/dbraw/zinc/43/93/10/625439310.db2.gz YRUWHDZORVMTQO-HOTGVXAUSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC001025448443 625443649 /nfs/dbraw/zinc/44/36/49/625443649.db2.gz PZAXRHIGLAFDPI-DOTOQJQBSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001008340127 625444274 /nfs/dbraw/zinc/44/42/74/625444274.db2.gz GJHVKLAARVMXOI-CYBMUJFWSA-N 0 3 306.356 2.111 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]c(C)cc2C)C1 ZINC001025457107 625449177 /nfs/dbraw/zinc/44/91/77/625449177.db2.gz 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C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3ccc(F)cn3)C2)cc1 ZINC001020457428 622683433 /nfs/dbraw/zinc/68/34/33/622683433.db2.gz WLEMFLGFKFVUSJ-IYARVYRRSA-N 0 3 323.371 2.253 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001020494640 622734241 /nfs/dbraw/zinc/73/42/41/622734241.db2.gz WLSFMWRHGBNFAC-NJZULAAPSA-N 0 3 313.239 2.178 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001020520255 622758859 /nfs/dbraw/zinc/75/88/59/622758859.db2.gz CSPJGEAWYNXZKT-JOCQHMNTSA-N 0 3 304.781 2.166 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C[C@H]1C ZINC000947602205 625593140 /nfs/dbraw/zinc/59/31/40/625593140.db2.gz IXKXBOGGBYWSQY-CZUORRHYSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001025588526 625599464 /nfs/dbraw/zinc/59/94/64/625599464.db2.gz VTWNBYATQNPZMU-GDBMZVCRSA-N 0 3 313.445 2.357 20 30 DEEDHN CC(C)[C@H](F)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000969637501 622859194 /nfs/dbraw/zinc/85/91/94/622859194.db2.gz KTXFJEFVVBPMLH-RISCZKNCSA-N 0 3 309.410 2.304 20 30 DEEDHN N#CC(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccc2ccccc2n1 ZINC000892425353 625605491 /nfs/dbraw/zinc/60/54/91/625605491.db2.gz ARDNWYQBYAKFHG-MJBXVCDLSA-N 0 3 307.353 2.313 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCN2CCC)C1 ZINC000969797150 622924032 /nfs/dbraw/zinc/92/40/32/622924032.db2.gz NNFUCGKFAMCAMY-HIFRSBDPSA-N 0 3 313.873 2.050 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2coc(CCC)n2)C1 ZINC001025592529 625605967 /nfs/dbraw/zinc/60/59/67/625605967.db2.gz PCUHVONQHOVBAN-GJZGRUSLSA-N 0 3 317.433 2.481 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC000969830380 622937587 /nfs/dbraw/zinc/93/75/87/622937587.db2.gz KGBPTOZYAPYDHX-QAPCUYQASA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccnn2C(CC)CC)C1 ZINC000969836635 622941370 /nfs/dbraw/zinc/94/13/70/622941370.db2.gz NMDGYWWOVYCHJF-CQSZACIVSA-N 0 3 316.449 2.318 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(CC)ncnc2CC)C1 ZINC001020599218 622942747 /nfs/dbraw/zinc/94/27/47/622942747.db2.gz POVYAPONWGPSRB-HAQNSBGRSA-N 0 3 322.840 2.204 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000969838026 622943628 /nfs/dbraw/zinc/94/36/28/622943628.db2.gz WHCMDNDISZOPJD-OAHLLOKOSA-N 0 3 324.428 2.499 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccn3c2CCCC3)C1 ZINC000969864552 622962760 /nfs/dbraw/zinc/96/27/60/622962760.db2.gz CXRIVZPHBMGMDB-AWEZNQCLSA-N 0 3 301.434 2.451 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001025591668 625610533 /nfs/dbraw/zinc/61/05/33/625610533.db2.gz GBGRHJYHIBYHQM-GDBMZVCRSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)C[C@H]1C ZINC000947376973 622987746 /nfs/dbraw/zinc/98/77/46/622987746.db2.gz CJIHFYVBJDVRJO-WBVHZDCISA-N 0 3 309.413 2.464 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CNCc2ccn(C)n2)C1 ZINC001024135112 625614578 /nfs/dbraw/zinc/61/45/78/625614578.db2.gz 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C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(-n3cccc3)nc2)C1 ZINC000970608135 623570573 /nfs/dbraw/zinc/57/05/73/623570573.db2.gz GDFVXUVJIQBCDD-HNNXBMFYSA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000970685450 623615410 /nfs/dbraw/zinc/61/54/10/623615410.db2.gz SLBOGUDRXGAWOB-CYBMUJFWSA-N 0 3 302.374 2.478 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCO)C2CCCC2)CC1 ZINC000892851537 625664637 /nfs/dbraw/zinc/66/46/37/625664637.db2.gz LMRNQRYWDKDRFG-KRWDZBQOSA-N 0 3 323.481 2.267 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)nc1 ZINC000970764476 623668820 /nfs/dbraw/zinc/66/88/20/623668820.db2.gz UEWHXBVFRKKEAJ-HNNXBMFYSA-N 0 3 319.408 2.313 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 ZINC001021505747 623687652 /nfs/dbraw/zinc/68/76/52/623687652.db2.gz NFHJPVPLCBPFID-YOEHRIQHSA-N 0 3 300.377 2.385 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(F)(F)F)C1 ZINC001021529285 623707469 /nfs/dbraw/zinc/70/74/69/623707469.db2.gz 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C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc(F)c2)C1 ZINC001021727011 624008625 /nfs/dbraw/zinc/00/86/25/624008625.db2.gz IONJRIJGWBKEPC-FUHWJXTLSA-N 0 3 314.404 2.314 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](CNCc2csc(C3CC3)n2)C1 ZINC001026733082 625700827 /nfs/dbraw/zinc/70/08/27/625700827.db2.gz RFZBFASSXOVDDN-NWDGAFQWSA-N 0 3 318.446 2.118 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000971501494 624175860 /nfs/dbraw/zinc/17/58/60/624175860.db2.gz YXLJOTWKVXBNLM-LSDHHAIUSA-N 0 3 319.355 2.246 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)c(F)c1 ZINC001022054126 624184890 /nfs/dbraw/zinc/18/48/90/624184890.db2.gz WYANPBYLWVNBNZ-XQQFMLRXSA-N 0 3 323.318 2.089 20 30 DEEDHN N#CC1(NC(=O)CNC2([C@H]3CCCCO3)CC2)CCCCC1 ZINC000933383239 624197413 /nfs/dbraw/zinc/19/74/13/624197413.db2.gz JXRRKDIHOJPUNQ-CQSZACIVSA-N 0 3 305.422 2.020 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001022151371 624483158 /nfs/dbraw/zinc/48/31/58/624483158.db2.gz NTNNZENDBIOMJQ-UPJWGTAASA-N 0 3 310.829 2.457 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001022186107 624492129 /nfs/dbraw/zinc/49/21/29/624492129.db2.gz CSAWLWGNVBMJLP-BETUJISGSA-N 0 3 321.808 2.268 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC000971692970 624508244 /nfs/dbraw/zinc/50/82/44/624508244.db2.gz KHYHSBZTXZOIAF-NVXWUHKLSA-N 0 3 314.429 2.444 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)ncn3C)C[C@H]1C ZINC000947464139 624540704 /nfs/dbraw/zinc/54/07/04/624540704.db2.gz RMQDTOCVEXIFJW-HIFRSBDPSA-N 0 3 312.417 2.342 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccsc1 ZINC000121603916 624632643 /nfs/dbraw/zinc/63/26/43/624632643.db2.gz LONSKXMRZGZDFW-TZMCWYRMSA-N 0 3 322.430 2.492 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001022469219 624680999 /nfs/dbraw/zinc/68/09/99/624680999.db2.gz XMGQBDRANXFVHH-BARDWOONSA-N 0 3 312.841 2.323 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3conc3C)C2)cc1 ZINC001022527416 624710083 /nfs/dbraw/zinc/71/00/83/624710083.db2.gz WRLZFBIINLOBFD-CALCHBBNSA-N 0 3 309.369 2.015 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001027660800 634405594 /nfs/dbraw/zinc/40/55/94/634405594.db2.gz ATCUTQITKBCWHU-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3oc(C)nc3C)C2)C1 ZINC001022674467 624812926 /nfs/dbraw/zinc/81/29/26/624812926.db2.gz BALQFINCEVUNGU-OKILXGFUSA-N 0 3 303.406 2.385 20 30 DEEDHN CCC(CC)CN1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380011 624945185 /nfs/dbraw/zinc/94/51/85/624945185.db2.gz DJDXSSHOIPOYSL-LJQANCHMSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 ZINC001027670784 634423223 /nfs/dbraw/zinc/42/32/23/634423223.db2.gz NMWHBYUGEDRYSD-CQSZACIVSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC001027673242 634427144 /nfs/dbraw/zinc/42/71/44/634427144.db2.gz PVWXARADNQRMOU-OAHLLOKOSA-N 0 3 304.821 2.439 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001024809108 625063899 /nfs/dbraw/zinc/06/38/99/625063899.db2.gz NVALCKXJNVCGGB-GDBMZVCRSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001022898325 625084976 /nfs/dbraw/zinc/08/49/76/625084976.db2.gz XZHBOWFWEFJNIC-BETUJISGSA-N 0 3 318.808 2.474 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccc(Br)cc1 ZINC000892518532 625087478 /nfs/dbraw/zinc/08/74/78/625087478.db2.gz WMAZNTKZUGYUAY-LBPRGKRZSA-N 0 3 323.190 2.227 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001022944716 625111724 /nfs/dbraw/zinc/11/17/24/625111724.db2.gz SMCDIODUMYXJEQ-IGQOVBAYSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001026135650 625149678 /nfs/dbraw/zinc/14/96/78/625149678.db2.gz JIWWEZJMESEKJB-QFXBJFAPSA-N 0 3 306.450 2.060 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001025040823 625157459 /nfs/dbraw/zinc/15/74/59/625157459.db2.gz MWMKEHVPWUMXED-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000947662166 625172650 /nfs/dbraw/zinc/17/26/50/625172650.db2.gz FQQUQDPEOQBAMN-DZGCQCFKSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001023162567 625172878 /nfs/dbraw/zinc/17/28/78/625172878.db2.gz CPVUYDQLHFQNDI-MBNYWOFBSA-N 0 3 306.793 2.152 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2cc(C3CC3)no2)C1 ZINC000998896055 634439830 /nfs/dbraw/zinc/43/98/30/634439830.db2.gz GTJBUVYVTHCQIC-UHFFFAOYSA-N 0 3 323.824 2.426 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001023368476 625242242 /nfs/dbraw/zinc/24/22/42/625242242.db2.gz PXIBUYWFNLOZFE-AWEZNQCLSA-N 0 3 303.406 2.181 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001023371077 625243403 /nfs/dbraw/zinc/24/34/03/625243403.db2.gz RENBQGPWXYKFLY-CHWSQXEVSA-N 0 3 323.462 2.478 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001023406258 625254503 /nfs/dbraw/zinc/25/45/03/625254503.db2.gz FCUHMSNOAZZYSM-GFCCVEGCSA-N 0 3 307.344 2.094 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001023412524 625259055 /nfs/dbraw/zinc/25/90/55/625259055.db2.gz RRFRKMYPQSHPKR-CQSZACIVSA-N 0 3 323.396 2.015 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001023419068 625262294 /nfs/dbraw/zinc/26/22/94/625262294.db2.gz OYDDTEDRDVTTNZ-LBPRGKRZSA-N 0 3 322.840 2.091 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(OC)c(F)c2)C1 ZINC001023425293 625264403 /nfs/dbraw/zinc/26/44/03/625264403.db2.gz GKTVYYHOFUZCMR-CQSZACIVSA-N 0 3 318.392 2.299 20 30 DEEDHN C#CCCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cnns1 ZINC001025208558 625267044 /nfs/dbraw/zinc/26/70/44/625267044.db2.gz WLKJBDPKNDEOQD-KGLIPLIRSA-N 0 3 318.446 2.021 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001025643144 625719919 /nfs/dbraw/zinc/71/99/19/625719919.db2.gz BQPPAEOVCMPKFT-JKSUJKDBSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001024452764 625779360 /nfs/dbraw/zinc/77/93/60/625779360.db2.gz BHHWDBXHDCEKKN-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479816 625808749 /nfs/dbraw/zinc/80/87/49/625808749.db2.gz QFISHKVRTBDIMG-JKSUJKDBSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001024491060 625813832 /nfs/dbraw/zinc/81/38/32/625813832.db2.gz UUGXBWBQYULIKT-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001027699447 634453496 /nfs/dbraw/zinc/45/34/96/634453496.db2.gz CWCUDJMOCRCJQK-FXAWDEMLSA-N 0 3 310.441 2.447 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COC2CCC(C)CC2)C1 ZINC001027700714 634454201 /nfs/dbraw/zinc/45/42/01/634454201.db2.gz DRJWXJDEQPINTP-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001024514707 625831882 /nfs/dbraw/zinc/83/18/82/625831882.db2.gz CSRUTPAIJPFXFN-OAHLLOKOSA-N 0 3 324.428 2.181 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001024515565 625832065 /nfs/dbraw/zinc/83/20/65/625832065.db2.gz VOUYMDVHYQZPAA-HZPDHXFCSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001024515564 625832158 /nfs/dbraw/zinc/83/21/58/625832158.db2.gz VOUYMDVHYQZPAA-HOTGVXAUSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001024548927 625867163 /nfs/dbraw/zinc/86/71/63/625867163.db2.gz KSOSZMNCHMGBAY-MRXNPFEDSA-N 0 3 324.428 2.479 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001024549059 625867511 /nfs/dbraw/zinc/86/75/11/625867511.db2.gz NRXGAGRGWFOWFW-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001024549060 625867686 /nfs/dbraw/zinc/86/76/86/625867686.db2.gz NRXGAGRGWFOWFW-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cn2cc(C3CC3)cn2)C1 ZINC000999017129 634462034 /nfs/dbraw/zinc/46/20/34/634462034.db2.gz XVENEWOBIDJBBB-UHFFFAOYSA-N 0 3 322.840 2.092 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccc(F)cn2)C1 ZINC000999004443 634464049 /nfs/dbraw/zinc/46/40/49/634464049.db2.gz ZBVBMSXZUNAENQ-UHFFFAOYSA-N 0 3 311.788 2.095 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001024647147 625949027 /nfs/dbraw/zinc/94/90/27/625949027.db2.gz JQMJFYLZHOVQTB-LSDHHAIUSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnnc2ccccc21 ZINC001024681034 625966872 /nfs/dbraw/zinc/96/68/72/625966872.db2.gz NCVUPEZFTSBLJS-OAHLLOKOSA-N 0 3 322.412 2.237 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000999125915 634490474 /nfs/dbraw/zinc/49/04/74/634490474.db2.gz CSWSKTWQTFEEQV-OAHLLOKOSA-N 0 3 318.367 2.459 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000999125905 634490736 /nfs/dbraw/zinc/49/07/36/634490736.db2.gz CSWSKTWQTFEEQV-HNNXBMFYSA-N 0 3 318.367 2.459 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)Cc3ccon3)CC[C@@H]2C1 ZINC000946521625 634546967 /nfs/dbraw/zinc/54/69/67/634546967.db2.gz XXWVCJULIWTHAS-OKILXGFUSA-N 0 3 323.824 2.140 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccc(OC)n2)C1 ZINC000999632474 634649487 /nfs/dbraw/zinc/64/94/87/634649487.db2.gz XNBLMLILIGEDFA-UHFFFAOYSA-N 0 3 309.797 2.035 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]2C1 ZINC000979479811 634653995 /nfs/dbraw/zinc/65/39/95/634653995.db2.gz HWTVDVQOXRFWOS-BHYGNILZSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(N(C)C)ccn2)C1 ZINC000999897969 634695422 /nfs/dbraw/zinc/69/54/22/634695422.db2.gz SIGUIWIXDHFSFP-UHFFFAOYSA-N 0 3 322.840 2.093 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC000999876939 634698941 /nfs/dbraw/zinc/69/89/41/634698941.db2.gz QIECBKJPHGIEPR-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3nccc4occc43)CC2)CC1 ZINC001000220309 634798321 /nfs/dbraw/zinc/79/83/21/634798321.db2.gz QQCSASGINSEFLF-UHFFFAOYSA-N 0 3 323.396 2.435 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@@H](OC)C3)CC2)CC1 ZINC001000249825 634823996 /nfs/dbraw/zinc/82/39/96/634823996.db2.gz OFXSMBBJVSEGAG-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccccc1Cl ZINC000836257489 650072237 /nfs/dbraw/zinc/07/22/37/650072237.db2.gz BCQHTGNPCJYDFT-UHFFFAOYSA-N 0 3 307.825 2.137 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836408674 650088552 /nfs/dbraw/zinc/08/85/52/650088552.db2.gz WWLYANUMMIKUGL-OAHLLOKOSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(OCC#C)cc1 ZINC001024695768 632928892 /nfs/dbraw/zinc/92/88/92/632928892.db2.gz WCKMMDHTCXFAPZ-SFHVURJKSA-N 0 3 324.424 2.306 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001024694612 632932051 /nfs/dbraw/zinc/93/20/51/632932051.db2.gz KFLXQQQKODIVDP-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000177564224 632937860 /nfs/dbraw/zinc/93/78/60/632937860.db2.gz QZBPZKNOKIIJCZ-ZFWWWQNUSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cc(CC)c[nH]c1=O ZINC001024732913 632955547 /nfs/dbraw/zinc/95/55/47/632955547.db2.gz GFJUXRZCANNHHV-AWEZNQCLSA-N 0 3 303.406 2.120 20 30 DEEDHN Cc1cc(F)c(C#N)c(N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000893374725 633126195 /nfs/dbraw/zinc/12/61/95/633126195.db2.gz CWPGSKDLPJSJJQ-CYBMUJFWSA-N 0 3 305.397 2.287 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cc(C)ccn32)C(C)(C)C1 ZINC000974616284 633176422 /nfs/dbraw/zinc/17/64/22/633176422.db2.gz WMLWAXQBWPMCOF-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncn3ccc(C)cc23)C(C)(C)C1 ZINC000974744574 633276766 /nfs/dbraw/zinc/27/67/66/633276766.db2.gz KIWAMXDWHGZJMG-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C(C)(C)C1 ZINC000974741394 633282129 /nfs/dbraw/zinc/28/21/29/633282129.db2.gz NBNPZMAOJUAOHH-OAHLLOKOSA-N 0 3 318.465 2.329 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C(C)(C)C1 ZINC000974784170 633299834 /nfs/dbraw/zinc/29/98/34/633299834.db2.gz LOJBBUAMUBZMQY-OAHLLOKOSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3cnccc3c2)C(C)(C)C1 ZINC000974819102 633315214 /nfs/dbraw/zinc/31/52/14/633315214.db2.gz KGOZFXMLVTYHEA-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnn(C3CCCC3)c2C)C1 ZINC001015965510 633325256 /nfs/dbraw/zinc/32/52/56/633325256.db2.gz NFCRDJLNVVQJIV-OAHLLOKOSA-N 0 3 314.433 2.134 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(F)ccc2OC)C(C)(C)C1 ZINC000974900483 633359466 /nfs/dbraw/zinc/35/94/66/633359466.db2.gz YYLCCKOLZYGTBX-MRXNPFEDSA-N 0 3 318.392 2.298 20 30 DEEDHN N#CC(C(=O)CSc1ccc(F)c(F)c1)C(=O)N1CCCC1 ZINC000124750642 633413591 /nfs/dbraw/zinc/41/35/91/633413591.db2.gz MLSUFVGTKKBUBH-NSHDSACASA-N 0 3 324.352 2.388 20 30 DEEDHN CC(C)Oc1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000124762219 633414623 /nfs/dbraw/zinc/41/46/23/633414623.db2.gz JZUBUWCZUJYITH-OAHLLOKOSA-N 0 3 300.358 2.004 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(CC)cn2)C(C)(C)C1 ZINC000975073995 633416563 /nfs/dbraw/zinc/41/65/63/633416563.db2.gz SDXOSWHZATYSKU-KRWDZBQOSA-N 0 3 313.445 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2snnc2C)CC1 ZINC000996874818 633483451 /nfs/dbraw/zinc/48/34/51/633483451.db2.gz CZBQLJZYTCILFW-UHFFFAOYSA-N 0 3 308.451 2.139 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c(C)ccn2C)CC1 ZINC000997048110 633564743 /nfs/dbraw/zinc/56/47/43/633564743.db2.gz YCMIJPOLNNLDMO-OAHLLOKOSA-N 0 3 301.434 2.187 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000997094114 633572654 /nfs/dbraw/zinc/57/26/54/633572654.db2.gz RFEFCQKVLHCXOQ-NJAFHUGGSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nc(C)n3ccccc23)CC1 ZINC000997220144 633679138 /nfs/dbraw/zinc/67/91/38/633679138.db2.gz VIVQYSUAKDPYGA-CQSZACIVSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000997251250 633684577 /nfs/dbraw/zinc/68/45/77/633684577.db2.gz BXQDRVYZMCIQJI-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000997313039 633706317 /nfs/dbraw/zinc/70/63/17/633706317.db2.gz GGHPSPBVVWCWCP-CQSZACIVSA-N 0 3 312.413 2.085 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ncccc2F)CC1 ZINC000997367842 633718185 /nfs/dbraw/zinc/71/81/85/633718185.db2.gz LWYRDBXJSWPOGC-CYBMUJFWSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN(C(=O)NCC1(C2CC2)CCC1)C1CCN(C)CC1 ZINC000921599744 633739225 /nfs/dbraw/zinc/73/92/25/633739225.db2.gz HMPRITVLNQKMOV-UHFFFAOYSA-N 0 3 303.450 2.306 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000997383018 633750963 /nfs/dbraw/zinc/75/09/63/633750963.db2.gz INRDMXWAXAZIPJ-CQSZACIVSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001027433776 633781879 /nfs/dbraw/zinc/78/18/79/633781879.db2.gz DVYDXOVRODLYAF-KRWDZBQOSA-N 0 3 314.404 2.413 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnn2C(CC)CC)C1 ZINC001027440749 633790881 /nfs/dbraw/zinc/79/08/81/633790881.db2.gz KBFCAEMZGIEGME-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001027469885 633845126 /nfs/dbraw/zinc/84/51/26/633845126.db2.gz JPUCWWHKTXUDIZ-AWEZNQCLSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2COC)C1 ZINC001027476698 633858616 /nfs/dbraw/zinc/85/86/16/633858616.db2.gz SXKGAJFFJHBEMM-MRXNPFEDSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccnc(CCC)c2)CC1 ZINC000997630570 633904909 /nfs/dbraw/zinc/90/49/09/633904909.db2.gz PJEIODXQAKZIMG-HNNXBMFYSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c[nH]nc2CCC)CC1 ZINC000997659930 633914794 /nfs/dbraw/zinc/91/47/94/633914794.db2.gz WJJVQDPMBMYXSN-AWEZNQCLSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)onc2C2CC2)CC1 ZINC000997677714 633929890 /nfs/dbraw/zinc/92/98/90/633929890.db2.gz VBCOCXNVDPUNRU-LBPRGKRZSA-N 0 3 315.417 2.324 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnn(CCC)c2)CC1 ZINC000997782371 633971934 /nfs/dbraw/zinc/97/19/34/633971934.db2.gz UPSIKQSEVAKVQU-HNNXBMFYSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCS(=O)(=O)CCNC1CC(c2ccc(F)cc2F)C1 ZINC000893506463 633999126 /nfs/dbraw/zinc/99/91/26/633999126.db2.gz WELSJJGJBGRIII-UHFFFAOYSA-N 0 3 315.385 2.401 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nn(C)c3ccccc32)C(C)(C)C1 ZINC000977483891 634004452 /nfs/dbraw/zinc/00/44/52/634004452.db2.gz HJPACYGISURAHI-MRXNPFEDSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2COc3ccccc32)CC1 ZINC000997887274 634020795 /nfs/dbraw/zinc/02/07/95/634020795.db2.gz NIEKEYWDBBCYPP-YOEHRIQHSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2cccc(F)c2)C(C)(C)C1 ZINC000977561567 634040228 /nfs/dbraw/zinc/04/02/28/634040228.db2.gz BELYHUHPEVAKFZ-INIZCTEOSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cn2ccc3ccccc32)C(C)(C)C1 ZINC000977624495 634076601 /nfs/dbraw/zinc/07/66/01/634076601.db2.gz RDHXCQKRHJQABE-SFHVURJKSA-N 0 3 323.440 2.491 20 30 DEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2cc(OC)no2)CC1 ZINC000997968592 634084928 /nfs/dbraw/zinc/08/49/28/634084928.db2.gz HWZVKGGNVVAOCQ-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(CNCc3nccn3C)CC2)C1 ZINC000998061550 634128330 /nfs/dbraw/zinc/12/83/30/634128330.db2.gz SDGCZXIEJGCSPH-UHFFFAOYSA-N 0 3 316.449 2.105 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnc(Cl)n2C)CC1 ZINC000998068867 634132097 /nfs/dbraw/zinc/13/20/97/634132097.db2.gz CTAJIESCOVNGKC-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000998081743 634136035 /nfs/dbraw/zinc/13/60/35/634136035.db2.gz XWHHYBJTHJAPMR-INIZCTEOSA-N 0 3 316.449 2.312 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2nccs2)CC1 ZINC000998162572 634156810 /nfs/dbraw/zinc/15/68/10/634156810.db2.gz UTFCUMASPUJKNZ-AWEZNQCLSA-N 0 3 305.447 2.483 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1C(F)(F)F ZINC000998214340 634169905 /nfs/dbraw/zinc/16/99/05/634169905.db2.gz FIPVARMAAYMXLC-DTWKUNHWSA-N 0 3 300.271 2.197 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2coc(C)n2)CC[C@H]1C(F)(F)F ZINC000998236772 634181457 /nfs/dbraw/zinc/18/14/57/634181457.db2.gz LGFTUDHNRBMZLA-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cccn2C)CC[C@H]1C(F)(F)F ZINC000998244954 634184838 /nfs/dbraw/zinc/18/48/38/634184838.db2.gz MANMQBGTVAVPGV-VXGBXAGGSA-N 0 3 315.339 2.194 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccoc2)CC[C@@H]1C(F)(F)F ZINC000998245006 634185493 /nfs/dbraw/zinc/18/54/93/634185493.db2.gz MOHFSRZPDHZKLN-RYUDHWBXSA-N 0 3 302.296 2.448 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)nc2C)C1 ZINC001027580442 634195811 /nfs/dbraw/zinc/19/58/11/634195811.db2.gz JTUWCJGCPKYUMI-MRXNPFEDSA-N 0 3 311.429 2.437 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)C2(CF)CC2)CC[C@@H]1C(F)(F)F ZINC000998294058 634202408 /nfs/dbraw/zinc/20/24/08/634202408.db2.gz HIHXCKYINVFBHF-QWRGUYRKSA-N 0 3 308.319 2.291 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2c[nH]cc2C)CC[C@@H]1C(F)(F)F ZINC000998310826 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C#CCN(C)[C@H]1CCCN(C(=O)c2coc(C3CCC3)n2)C1 ZINC001027643962 634376460 /nfs/dbraw/zinc/37/64/60/634376460.db2.gz SLEGLDBFQHPBMF-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001027886942 634876155 /nfs/dbraw/zinc/87/61/55/634876155.db2.gz DSIYJMMQOJJBBR-OAHLLOKOSA-N 0 3 302.422 2.378 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913655 634948147 /nfs/dbraw/zinc/94/81/47/634948147.db2.gz NIZHWPGNLDOWPE-HNNXBMFYSA-N 0 3 319.474 2.027 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2ccccc2OC)C1 ZINC000980332357 634957477 /nfs/dbraw/zinc/95/74/77/634957477.db2.gz COQUCZJOFOBMPD-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000980375195 634975434 /nfs/dbraw/zinc/97/54/34/634975434.db2.gz SWXGMKWSJOTXMW-MRXNPFEDSA-N 0 3 315.417 2.042 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001027932901 634998313 /nfs/dbraw/zinc/99/83/13/634998313.db2.gz MCULSEVVNVTGLY-GOSISDBHSA-N 0 3 322.412 2.090 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001027932384 635000933 /nfs/dbraw/zinc/00/09/33/635000933.db2.gz XAELTCOPBQZSMA-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)nc2sccn21 ZINC001027969480 635121202 /nfs/dbraw/zinc/12/12/02/635121202.db2.gz NKGLGWDAEWOIKV-ZDUSSCGKSA-N 0 3 318.446 2.475 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001000334861 635145497 /nfs/dbraw/zinc/14/54/97/635145497.db2.gz IBAZFMHCXMIYJN-KBPBESRZSA-N 0 3 310.829 2.167 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001000351742 635152906 /nfs/dbraw/zinc/15/29/06/635152906.db2.gz FDPYKPIXWVJFCE-CQSZACIVSA-N 0 3 324.856 2.340 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001028008391 635234345 /nfs/dbraw/zinc/23/43/45/635234345.db2.gz ASKUSVNQACTJFE-OAHLLOKOSA-N 0 3 300.402 2.221 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001028026744 635297089 /nfs/dbraw/zinc/29/70/89/635297089.db2.gz AIVULGGPNNELLP-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]c(Br)c1 ZINC001028034600 635333998 /nfs/dbraw/zinc/33/39/98/635333998.db2.gz WDGYCZXUTZUFCE-NSHDSACASA-N 0 3 312.211 2.157 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001028047340 635362175 /nfs/dbraw/zinc/36/21/75/635362175.db2.gz VKORXCSDAZEHEW-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1coc(=O)c2ccccc12 ZINC001028067533 635402101 /nfs/dbraw/zinc/40/21/01/635402101.db2.gz WLMLATCQUUANDR-CYBMUJFWSA-N 0 3 312.369 2.173 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H](NCc3nccn3C)C2)C1 ZINC000981320638 635433612 /nfs/dbraw/zinc/43/36/12/635433612.db2.gz WTAQXGFSBNYIPS-HUUCEWRRSA-N 0 3 316.449 2.293 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2oc(C3CC3)nc2C)CC1 ZINC001001243960 635439210 /nfs/dbraw/zinc/43/92/10/635439210.db2.gz ABOLXJIVACGDQM-UHFFFAOYSA-N 0 3 301.390 2.408 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3cccnc3n2)CC1 ZINC001001423168 635495146 /nfs/dbraw/zinc/49/51/46/635495146.db2.gz VTJQKWUBLPXHJT-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC001001473675 635505060 /nfs/dbraw/zinc/50/50/60/635505060.db2.gz OITZQLXSITVDDE-IAGOWNOFSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cccnc2C(F)F)CC1 ZINC001001614250 635533111 /nfs/dbraw/zinc/53/31/11/635533111.db2.gz WJHNBEWLNACMIB-UHFFFAOYSA-N 0 3 307.344 2.094 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccn(C(C)C)c2C)CC1 ZINC001001753148 635549344 /nfs/dbraw/zinc/54/93/44/635549344.db2.gz AZQAWRRUPJCHBX-UHFFFAOYSA-N 0 3 301.434 2.452 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC000981628390 635564190 /nfs/dbraw/zinc/56/41/90/635564190.db2.gz KDFFPLCERPDTLZ-UHFFFAOYSA-N 0 3 310.401 2.354 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc3c2OCC3)CC1 ZINC001001869632 635565592 /nfs/dbraw/zinc/56/55/92/635565592.db2.gz CNMLWYFQOLEHNX-UHFFFAOYSA-N 0 3 312.413 2.087 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC001001916352 635576278 /nfs/dbraw/zinc/57/62/78/635576278.db2.gz ACLLFDRJHRDUII-IPMKNSEASA-N 0 3 308.425 2.034 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cccc(-c3cnco3)c2)CC1 ZINC001001994563 635597862 /nfs/dbraw/zinc/59/78/62/635597862.db2.gz KSKYYLBLJWFHTE-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000981711099 635608381 /nfs/dbraw/zinc/60/83/81/635608381.db2.gz WMINUHWYXJXBDB-UHFFFAOYSA-N 0 3 318.465 2.080 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(N(C)C)cc2)CC1 ZINC001002075598 635613248 /nfs/dbraw/zinc/61/32/48/635613248.db2.gz AKEVNKNLUQLKBR-UHFFFAOYSA-N 0 3 313.445 2.218 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ncccc2Cl)CC1 ZINC001002061398 635616560 /nfs/dbraw/zinc/61/65/60/635616560.db2.gz FEKRVNJIDIMYEZ-UHFFFAOYSA-N 0 3 305.809 2.200 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)n(C(C)C)n2)CC1 ZINC001002184497 635639519 /nfs/dbraw/zinc/63/95/19/635639519.db2.gz JCJQWUSNFLLVJT-UHFFFAOYSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H](c2ccncc2)C(C)C)CC1 ZINC000981824632 635671856 /nfs/dbraw/zinc/67/18/56/635671856.db2.gz PRLZACVYEBNVIT-GOSISDBHSA-N 0 3 313.445 2.379 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001028136162 635683045 /nfs/dbraw/zinc/68/30/45/635683045.db2.gz IDBFLQWIKBJSHQ-ZDUSSCGKSA-N 0 3 303.431 2.238 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001028137211 635685290 /nfs/dbraw/zinc/68/52/90/635685290.db2.gz FRDPZNQLRNFDOX-MRXNPFEDSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001028141806 635694092 /nfs/dbraw/zinc/69/40/92/635694092.db2.gz QXJWEMAAUAUEQR-CQSZACIVSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c[nH]nc3CCC)C2)C1 ZINC000981865685 635700177 /nfs/dbraw/zinc/70/01/77/635700177.db2.gz VYKYCDVEPXUVKR-UHFFFAOYSA-N 0 3 302.422 2.086 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3occ4c3CCC4)C2)C1 ZINC000981917937 635727175 /nfs/dbraw/zinc/72/71/75/635727175.db2.gz NBPQQEYMGVKSLP-UHFFFAOYSA-N 0 3 300.402 2.492 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnn4ccccc34)C2)C1 ZINC000982073077 635860658 /nfs/dbraw/zinc/86/06/58/635860658.db2.gz DYAKTMNXFHWXPS-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cn3cc4ccccc4n3)C2)C1 ZINC000982121216 635878044 /nfs/dbraw/zinc/87/80/44/635878044.db2.gz VQVNYPPHPHVOKF-UHFFFAOYSA-N 0 3 324.428 2.147 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cn4c(cccc4C)n3)C2)C1 ZINC000982144111 635886314 /nfs/dbraw/zinc/88/63/14/635886314.db2.gz XHJUDFYKMGEAKN-UHFFFAOYSA-N 0 3 324.428 2.367 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[C@H]3OC)C2)C1 ZINC000982169119 635894919 /nfs/dbraw/zinc/89/49/19/635894919.db2.gz OZANEVKAWPCUOS-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)CC1 ZINC000982228357 635914106 /nfs/dbraw/zinc/91/41/06/635914106.db2.gz XJYJALUUOZDCMI-UHFFFAOYSA-N 0 3 318.465 2.442 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)CCc3ccoc3)C[C@]2(C)C1 ZINC000982253386 635924112 /nfs/dbraw/zinc/92/41/12/635924112.db2.gz KBAIEAHKWNMQPI-HDICACEKSA-N 0 3 300.402 2.016 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001028237695 635939731 /nfs/dbraw/zinc/93/97/31/635939731.db2.gz WTHRNRFGCWDOAV-UONOGXRCSA-N 0 3 315.417 2.017 20 30 DEEDHN C#CCN(C(=O)NCc1cscc1C)C1CCN(C)CC1 ZINC000922226614 636013340 /nfs/dbraw/zinc/01/33/40/636013340.db2.gz YBRLURRYBGMCSI-UHFFFAOYSA-N 0 3 305.447 2.296 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CCN1C ZINC000922372940 636134725 /nfs/dbraw/zinc/13/47/25/636134725.db2.gz BDTXVHYCYXHEIC-HZMBPMFUSA-N 0 3 306.797 2.103 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cc1 ZINC000922418322 636168087 /nfs/dbraw/zinc/16/80/87/636168087.db2.gz YUKLSEZKUDCQRN-BBRMVZONSA-N 0 3 303.406 2.143 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)c3ccoc3)C2)c1 ZINC001028407507 636178881 /nfs/dbraw/zinc/17/88/81/636178881.db2.gz RAZQBGIZTIJMCL-INIZCTEOSA-N 0 3 309.369 2.403 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OCC3CC3)nc2)CC1 ZINC001004201005 636220709 /nfs/dbraw/zinc/22/07/09/636220709.db2.gz 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/nfs/dbraw/zinc/83/35/33/636833533.db2.gz NEIHUTYNCFPFGP-UHFFFAOYSA-N 0 3 304.438 2.115 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnc3onc(C)c3c2)CC1 ZINC001005803296 636842160 /nfs/dbraw/zinc/84/21/60/636842160.db2.gz LQCJABJEEFKHAD-UHFFFAOYSA-N 0 3 314.389 2.254 20 30 DEEDHN N#Cc1ccc(N2CCC([NH2+]Cc3cncc([O-])c3)CC2)cc1 ZINC000922976319 636890445 /nfs/dbraw/zinc/89/04/45/636890445.db2.gz VORYDFCXNKTSLD-UHFFFAOYSA-N 0 3 308.385 2.417 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C3CCCC3)no2)C1 ZINC001028994740 636939971 /nfs/dbraw/zinc/93/99/71/636939971.db2.gz YOQMENYVAWRHJE-ZDUSSCGKSA-N 0 3 301.390 2.017 20 30 DEEDHN C#CCN(C(=O)NCCC[C@@H]1C=CCC1)C1CCN(C)CC1 ZINC000923974800 636940612 /nfs/dbraw/zinc/94/06/12/636940612.db2.gz VXVZMSMCVHAUPG-MRXNPFEDSA-N 0 3 303.450 2.472 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001029016804 636955609 /nfs/dbraw/zinc/95/56/09/636955609.db2.gz FGESAARRAVOXOH-MRXNPFEDSA-N 0 3 313.445 2.218 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(OC)cc(OC)c2)C[C@H]1C 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CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(CC#N)cc1 ZINC000895486831 638048814 /nfs/dbraw/zinc/04/88/14/638048814.db2.gz LRWBONDFKHIWMO-DLBZAZTESA-N 0 3 312.417 2.131 20 30 DEEDHN C#CCC1(O)CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000895671105 638142515 /nfs/dbraw/zinc/14/25/15/638142515.db2.gz PNGZMNBNWBDYLA-GOSISDBHSA-N 0 3 315.413 2.205 20 30 DEEDHN C[C@@H](O)CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000744406193 638216752 /nfs/dbraw/zinc/21/67/52/638216752.db2.gz GGDNRUUHGKQCHD-VXGBXAGGSA-N 0 3 317.414 2.175 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)n1 ZINC000896219178 638423252 /nfs/dbraw/zinc/42/32/52/638423252.db2.gz APEGRRXUNDFWNK-APWZRJJASA-N 0 3 305.381 2.353 20 30 DEEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccc(=O)[nH]c3)C2)nc1 ZINC000896650445 638623777 /nfs/dbraw/zinc/62/37/77/638623777.db2.gz HVAJKMMJPDURCY-HNNXBMFYSA-N 0 3 309.373 2.130 20 30 DEEDHN N#CC(C(=O)CCN1CCCC1=O)c1ccc2ccccc2n1 ZINC000727952897 638708746 /nfs/dbraw/zinc/70/87/46/638708746.db2.gz WPSXVEMEALEQSF-AWEZNQCLSA-N 0 3 307.353 2.424 20 30 DEEDHN N#CC(C(=O)CCN1CCCC1=O)c1ccc2ccccc2n1 ZINC000727952898 638708821 /nfs/dbraw/zinc/70/88/21/638708821.db2.gz WPSXVEMEALEQSF-CQSZACIVSA-N 0 3 307.353 2.424 20 30 DEEDHN CC(C)[C@@H](C#N)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000750646954 639011366 /nfs/dbraw/zinc/01/13/66/639011366.db2.gz HWOOMMZFTMAXPP-UONOGXRCSA-N 0 3 304.321 2.270 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000896898539 639035358 /nfs/dbraw/zinc/03/53/58/639035358.db2.gz ULXMZDRQMUODPL-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN N#CCOc1cccc(OC(=O)C2CCN(C3CC3)CC2)c1 ZINC000841344006 650478478 /nfs/dbraw/zinc/47/84/78/650478478.db2.gz MBIYRTSHLNCRCD-UHFFFAOYSA-N 0 3 300.358 2.369 20 30 DEEDHN Cc1cc(F)c(C#N)c(N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000897216264 639248801 /nfs/dbraw/zinc/24/88/01/639248801.db2.gz NOGITJBGOUGZRS-HOTGVXAUSA-N 0 3 303.381 2.041 20 30 DEEDHN CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cc(F)cc(F)c1[O-] ZINC000753934344 639360712 /nfs/dbraw/zinc/36/07/12/639360712.db2.gz HJUULGNIPJZBBM-BETUJISGSA-N 0 3 308.332 2.254 20 30 DEEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(F)cc(F)c1O ZINC000753934344 639360718 /nfs/dbraw/zinc/36/07/18/639360718.db2.gz HJUULGNIPJZBBM-BETUJISGSA-N 0 3 308.332 2.254 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985691779 639586181 /nfs/dbraw/zinc/58/61/81/639586181.db2.gz DVSFOASLTLBFSP-HOTGVXAUSA-N 0 3 312.429 2.250 20 30 DEEDHN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC000985697835 639589163 /nfs/dbraw/zinc/58/91/63/639589163.db2.gz QQDMUIGAMCJRKI-LBPRGKRZSA-N 0 3 324.856 2.264 20 30 DEEDHN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000985697835 639589165 /nfs/dbraw/zinc/58/91/65/639589165.db2.gz QQDMUIGAMCJRKI-LBPRGKRZSA-N 0 3 324.856 2.264 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)COC ZINC000756234163 639638963 /nfs/dbraw/zinc/63/89/63/639638963.db2.gz RHOBTTRWZQODEF-CHWSQXEVSA-N 0 3 318.373 2.405 20 30 DEEDHN CSCC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@H]1C ZINC000985943228 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C#CCNC(=S)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000758255616 639938437 /nfs/dbraw/zinc/93/84/37/639938437.db2.gz HDLKVFFIVRIKGM-OAHLLOKOSA-N 0 3 301.459 2.091 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)CN1C(=O)C(F)F ZINC000987695396 640260091 /nfs/dbraw/zinc/26/00/91/640260091.db2.gz NWCKFYOZHZSXPF-BXKDBHETSA-N 0 3 311.307 2.041 20 30 DEEDHN CSCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC000987976898 640325290 /nfs/dbraw/zinc/32/52/90/640325290.db2.gz WLHNMWZHUGWOGN-GHMZBOCLSA-N 0 3 309.460 2.062 20 30 DEEDHN CSCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC000987976908 640325305 /nfs/dbraw/zinc/32/53/05/640325305.db2.gz WLHNMWZHUGWOGN-WDEREUQCSA-N 0 3 309.460 2.062 20 30 DEEDHN CSCC(=O)N1C[C@H](NCc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000987997904 640331635 /nfs/dbraw/zinc/33/16/35/640331635.db2.gz VSXACFZPECULLT-BXUZGUMPSA-N 0 3 321.421 2.139 20 30 DEEDHN CCOC(=O)[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000763272325 640525465 /nfs/dbraw/zinc/52/54/65/640525465.db2.gz RTIBVMPIQIABAR-AWEZNQCLSA-N 0 3 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/nfs/dbraw/zinc/50/36/82/647503682.db2.gz CNUXFCWWISJGBO-UHFFFAOYSA-N 0 3 321.371 2.204 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)nc1 ZINC000732002150 647531933 /nfs/dbraw/zinc/53/19/33/647531933.db2.gz GWOOJXXLYGKACH-HNNXBMFYSA-N 0 3 307.397 2.313 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc3ccccn23)[C@H]1C ZINC000993506468 647683127 /nfs/dbraw/zinc/68/31/27/647683127.db2.gz FGDHROIPRFMNBO-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H]1C ZINC000993485144 647684503 /nfs/dbraw/zinc/68/45/03/647684503.db2.gz HTSKTVOQFHCROO-HOCLYGCPSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3c(c2)ncn3C)[C@@H]1C ZINC000993519619 647688259 /nfs/dbraw/zinc/68/82/59/647688259.db2.gz KIJULTGAHPDNSG-HOCLYGCPSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3ncn(C)c32)[C@H]1C ZINC000993513421 647694164 /nfs/dbraw/zinc/69/41/64/647694164.db2.gz PLOOXUDBKKUVCL-ZBFHGGJFSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2F)[C@H]1C ZINC000993572022 647695171 /nfs/dbraw/zinc/69/51/71/647695171.db2.gz RHLDUNILKPHRQD-CXAGYDPISA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2nc(C)cc2C)[C@H]1C ZINC000993581485 647696735 /nfs/dbraw/zinc/69/67/35/647696735.db2.gz CRSYTHYDHZIUSR-HZPDHXFCSA-N 0 3 304.438 2.045 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ncc3ccccn32)[C@H]1C ZINC000993584539 647697066 /nfs/dbraw/zinc/69/70/66/647697066.db2.gz AAXZWVIBNOQPCG-ZBFHGGJFSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H]1C ZINC000993558891 647699689 /nfs/dbraw/zinc/69/96/89/647699689.db2.gz BJJSTPRVCWUVFH-GXTWGEPZSA-N 0 3 307.825 2.285 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H]1C ZINC000993587373 647709270 /nfs/dbraw/zinc/70/92/70/647709270.db2.gz GVVWGZQUYHOEDX-NWDGAFQWSA-N 0 3 310.829 2.232 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cn3ccnc23)[C@H]1C ZINC000993631245 647718938 /nfs/dbraw/zinc/71/89/38/647718938.db2.gz MLZVMARNZXPWAQ-WBVHZDCISA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC000993711762 647728912 /nfs/dbraw/zinc/72/89/12/647728912.db2.gz AZDXXWIJXSGAEV-UONOGXRCSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC000993711762 647728914 /nfs/dbraw/zinc/72/89/14/647728914.db2.gz AZDXXWIJXSGAEV-UONOGXRCSA-N 0 3 318.421 2.040 20 30 DEEDHN N#CC(C(=O)CCc1cccc(OC(F)F)c1)C(=O)NC1CC1 ZINC000819944967 647746118 /nfs/dbraw/zinc/74/61/18/647746118.db2.gz QIUXDWLZJCBXHK-CYBMUJFWSA-N 0 3 322.311 2.208 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)[C@@H]1C ZINC000993831407 647752160 /nfs/dbraw/zinc/75/21/60/647752160.db2.gz NWIBSKWNSGASEK-DOTOQJQBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@H]1C ZINC000993903789 647760986 /nfs/dbraw/zinc/76/09/86/647760986.db2.gz MSQZPKJUNZVEOF-CABCVRRESA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OCC#C)cc2)[C@H]1C ZINC000993940524 647770486 /nfs/dbraw/zinc/77/04/86/647770486.db2.gz YVVWDYUTCLJMTI-APWZRJJASA-N 0 3 324.424 2.305 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn3ccccc23)[C@H]1C ZINC000994014147 647777762 /nfs/dbraw/zinc/77/77/62/647777762.db2.gz YIVYMVOCTKNHGA-ZBFHGGJFSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CC)c2C)[C@H]1C ZINC000994063246 647784034 /nfs/dbraw/zinc/78/40/34/647784034.db2.gz SCAJKBCRRDYOMU-ZBFHGGJFSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn(CCC)nc2C)[C@@H]1C ZINC000994099396 647784382 /nfs/dbraw/zinc/78/43/82/647784382.db2.gz LGXMNOQTZSJTJO-DOTOQJQBSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn(C(C)C)nc2C)[C@H]1C ZINC000994208455 647806221 /nfs/dbraw/zinc/80/62/21/647806221.db2.gz IDGJPVIYJFTJQA-WBVHZDCISA-N 0 3 316.449 2.378 20 30 DEEDHN CNC(=S)NN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000916265637 647853486 /nfs/dbraw/zinc/85/34/86/647853486.db2.gz YXMZPMKTDPCZTE-UHFFFAOYSA-N 0 3 320.462 2.109 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC(F)F)cc1F ZINC000820688493 647896001 /nfs/dbraw/zinc/89/60/01/647896001.db2.gz SPENGJVZPZVVCX-UHFFFAOYSA-N 0 3 314.307 2.112 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(COC)cc2)[C@H]1C ZINC000994372114 647920071 /nfs/dbraw/zinc/92/00/71/647920071.db2.gz HMUKOAINZJRGPR-CRAIPNDOSA-N 0 3 314.429 2.439 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000916887729 647937377 /nfs/dbraw/zinc/93/73/77/647937377.db2.gz YDCKXLQJPWODSJ-KRWDZBQOSA-N 0 3 322.364 2.399 20 30 DEEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000916891346 647937566 /nfs/dbraw/zinc/93/75/66/647937566.db2.gz UAIMHGHLEYPRNZ-CQSZACIVSA-N 0 3 304.346 2.159 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1cccc2ccccc21 ZINC000916921291 647941008 /nfs/dbraw/zinc/94/10/08/647941008.db2.gz SDWYKWWXOAHYSA-HNNXBMFYSA-N 0 3 308.337 2.230 20 30 DEEDHN CCO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916912679 647941534 /nfs/dbraw/zinc/94/15/34/647941534.db2.gz SHBMOYSKSIHLLB-GIPNMCIBSA-N 0 3 306.749 2.412 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@H]2CC2CC2)CC1 ZINC000917097643 647967512 /nfs/dbraw/zinc/96/75/12/647967512.db2.gz DQZQMFASGBAPPY-QGZVFWFLSA-N 0 3 321.465 2.237 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000920110996 648205069 /nfs/dbraw/zinc/20/50/69/648205069.db2.gz XFQNEFUOJIYICE-AAEUAGOBSA-N 0 3 304.346 2.158 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C[C@H]1C=CCC1)CCO2 ZINC000949024525 648214545 /nfs/dbraw/zinc/21/45/45/648214545.db2.gz FYMRSEWYEAOFQM-KRWDZBQOSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C[C@@H]1C ZINC000948069940 648328869 /nfs/dbraw/zinc/32/88/69/648328869.db2.gz LOFMUVKATYFBGE-XOEAPDPESA-N 0 3 314.351 2.321 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000823262412 648384616 /nfs/dbraw/zinc/38/46/16/648384616.db2.gz UJOWOBLGOLEEFZ-QGZVFWFLSA-N 0 3 312.413 2.397 20 30 DEEDHN N#CC1(c2ccc(CN3CCN(CCCCO)CC3)cc2)CC1 ZINC000824783636 648652635 /nfs/dbraw/zinc/65/26/35/648652635.db2.gz WPCLTHNVSRQTLW-UHFFFAOYSA-N 0 3 313.445 2.132 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2scc3c2OCCO3)C[C@@H]1C ZINC000947887324 648821846 /nfs/dbraw/zinc/82/18/46/648821846.db2.gz VNVWLPPRNADBKM-RYUDHWBXSA-N 0 3 322.430 2.288 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cccnc3n2)C[C@@H]1C ZINC000947327593 648922380 /nfs/dbraw/zinc/92/23/80/648922380.db2.gz GCXBELJAFFFCML-DZGCQCFKSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C(C)(C)C1 ZINC000940888950 648963283 /nfs/dbraw/zinc/96/32/83/648963283.db2.gz XJIADEAOIDBTFV-RKVPGOIHSA-N 0 3 306.450 2.348 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncc3ccccn32)C(C)(C)C1 ZINC000940888682 648963393 /nfs/dbraw/zinc/96/33/93/648963393.db2.gz QURNWFKHUOVTKZ-MRXNPFEDSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)nc2)C(C)(C)C1 ZINC000940875717 648964743 /nfs/dbraw/zinc/96/47/43/648964743.db2.gz SHMZFWOYSZGQNR-AWEZNQCLSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C(C)C)cn2)C(C)(C)C1 ZINC000940918340 648971422 /nfs/dbraw/zinc/97/14/22/648971422.db2.gz ONWQMDWVTKWCES-OAHLLOKOSA-N 0 3 304.438 2.480 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C)nc2C)C(C)(C)C1 ZINC000941106884 649001582 /nfs/dbraw/zinc/00/15/82/649001582.db2.gz CZPDBQRTOBDFNU-OAHLLOKOSA-N 0 3 302.422 2.110 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2C2CC2)C(C)(C)C1 ZINC000941247061 649027449 /nfs/dbraw/zinc/02/74/49/649027449.db2.gz BYGJLONRNYNFOU-HNNXBMFYSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000941292618 649034006 /nfs/dbraw/zinc/03/40/06/649034006.db2.gz JLQFBDQSRDUEKC-UHFFFAOYSA-N 0 3 319.474 2.156 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000942071716 649148885 /nfs/dbraw/zinc/14/88/85/649148885.db2.gz GFMJAPKTFGEJTL-DOTOQJQBSA-N 0 3 314.429 2.385 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnn2CC(C)C)[C@@H](C)C1 ZINC000942097070 649156253 /nfs/dbraw/zinc/15/62/53/649156253.db2.gz XIQHOWNPEXLBKE-JKSUJKDBSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000942109723 649158264 /nfs/dbraw/zinc/15/82/64/649158264.db2.gz QEDLXPCYQPYTNE-AAEUAGOBSA-N 0 3 307.344 2.093 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@@H](C)C1 ZINC000942112661 649158850 /nfs/dbraw/zinc/15/88/50/649158850.db2.gz GBTRVVSQVKXONM-MAUKXSAKSA-N 0 3 309.413 2.321 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3ccccc3n2)[C@H](C)C1 ZINC000942126792 649163031 /nfs/dbraw/zinc/16/30/31/649163031.db2.gz KSLAKVBJFKBIBX-HUUCEWRRSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](C)C1 ZINC000942142174 649165613 /nfs/dbraw/zinc/16/56/13/649165613.db2.gz UPXZOJKNMPUHLB-GXTWGEPZSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H](C)C1 ZINC000942168494 649171863 /nfs/dbraw/zinc/17/18/63/649171863.db2.gz VGZNCMFPYKETFM-IUODEOHRSA-N 0 3 311.385 2.210 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@H](C)C1 ZINC000942194441 649182796 /nfs/dbraw/zinc/18/27/96/649182796.db2.gz BIZPJVMRVNAIIU-HIFRSBDPSA-N 0 3 304.438 2.264 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2COC)[C@H](C)C1 ZINC000942220922 649187480 /nfs/dbraw/zinc/18/74/80/649187480.db2.gz YQGVJEMMJXSYNS-CRAIPNDOSA-N 0 3 314.429 2.297 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000942260760 649195043 /nfs/dbraw/zinc/19/50/43/649195043.db2.gz ZOFBHAFOVHPILG-WBVHZDCISA-N 0 3 324.428 2.499 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@H](C)C1 ZINC000942314931 649202366 /nfs/dbraw/zinc/20/23/66/649202366.db2.gz RXNZIYPOVZQREW-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)[C@H](C)C1 ZINC000942314926 649202436 /nfs/dbraw/zinc/20/24/36/649202436.db2.gz RXNZIYPOVZQREW-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccnc2C(F)F)[C@@H](C)C1 ZINC000942405845 649217137 /nfs/dbraw/zinc/21/71/37/649217137.db2.gz IFBIKSCGTCSULH-GXTWGEPZSA-N 0 3 321.371 2.483 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)[C@H](C)C1 ZINC000942486057 649227527 /nfs/dbraw/zinc/22/75/27/649227527.db2.gz LMWBNMNVBUKVOU-CHWSQXEVSA-N 0 3 317.458 2.095 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@@H](C)C1 ZINC000942579956 649250291 /nfs/dbraw/zinc/25/02/91/649250291.db2.gz QHJZMGBMZIPBIG-QWRGUYRKSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ncccc3c2)[C@H](C)C1 ZINC000942594217 649256049 /nfs/dbraw/zinc/25/60/49/649256049.db2.gz FQWYNMNOICNFQU-RHSMWYFYSA-N 0 3 307.397 2.308 20 30 DEEDHN CCC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000995284174 649291853 /nfs/dbraw/zinc/29/18/53/649291853.db2.gz CKOUEKMUKKHVNG-OAHLLOKOSA-N 0 3 303.381 2.434 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccncc2Cl)[C@@H](C)C1 ZINC000942837014 649292415 /nfs/dbraw/zinc/29/24/15/649292415.db2.gz FKVQJQGCISPMCE-XJKSGUPXSA-N 0 3 319.836 2.127 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)[C@@H](C)C1 ZINC000942861945 649295061 /nfs/dbraw/zinc/29/50/61/649295061.db2.gz ZXOPNXVYKMWYEO-BBRMVZONSA-N 0 3 300.402 2.248 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2noc3c2CCCC3)[C@H](C)C1 ZINC000942962429 649307599 /nfs/dbraw/zinc/30/75/99/649307599.db2.gz ZSICDICIJHVDBW-OCCSQVGLSA-N 0 3 303.406 2.180 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnnc3ccccc32)[C@H](C)C1 ZINC000943030396 649320978 /nfs/dbraw/zinc/32/09/78/649320978.db2.gz WVQWVBYWMKTXNE-CJNGLKHVSA-N 0 3 310.401 2.256 20 30 DEEDHN CC1(C)CN(C(=O)C2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000995318178 649334138 /nfs/dbraw/zinc/33/41/38/649334138.db2.gz KOHXUZKLFSICNQ-MRXNPFEDSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2C)[C@@H](C)C1 ZINC000943174400 649345206 /nfs/dbraw/zinc/34/52/06/649345206.db2.gz CNTBQYPOPIBBIV-XJKSGUPXSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000943208521 649350384 /nfs/dbraw/zinc/35/03/84/649350384.db2.gz LRYVBEWRWARELP-GDBMZVCRSA-N 0 3 322.412 2.150 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000829769527 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CC#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000944555230 649533679 /nfs/dbraw/zinc/53/36/79/649533679.db2.gz WJBSTQMRUPRIPX-BLLLJJGKSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000944830762 649572973 /nfs/dbraw/zinc/57/29/73/649572973.db2.gz MYHCHTSXTBCDAN-XJKSGUPXSA-N 0 3 318.417 2.330 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(OC)ccc2OC)[C@H](C)C1 ZINC000944830761 649573018 /nfs/dbraw/zinc/57/30/18/649573018.db2.gz MYHCHTSXTBCDAN-CZUORRHYSA-N 0 3 318.417 2.330 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2csc(CC)n2)[C@@H](C)C1 ZINC000945088108 649609084 /nfs/dbraw/zinc/60/90/84/649609084.db2.gz AWWJUOCGTKLWKN-DZGCQCFKSA-N 0 3 319.474 2.098 20 30 DEEDHN COC(=O)Cc1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000844605890 651147618 /nfs/dbraw/zinc/14/76/18/651147618.db2.gz LAWGBFHEYKANSU-GFCCVEGCSA-N 0 3 301.390 2.427 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000844963573 651188042 /nfs/dbraw/zinc/18/80/42/651188042.db2.gz 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/nfs/dbraw/zinc/38/53/31/651385331.db2.gz LBIRLTJTSORRHJ-AEFFLSMTSA-N 0 3 313.445 2.214 20 30 DEEDHN CCCCCCCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847277114 651386022 /nfs/dbraw/zinc/38/60/22/651386022.db2.gz RNCNDFCOXLWHRR-JKSUJKDBSA-N 0 3 311.470 2.197 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc2c1OC(C)(C)C2 ZINC000848143092 651440106 /nfs/dbraw/zinc/44/01/06/651440106.db2.gz QSDSBOLOUZBMPO-UHFFFAOYSA-N 0 3 300.402 2.085 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848143348 651440403 /nfs/dbraw/zinc/44/04/03/651440403.db2.gz UUEUYCHFHQMOMF-INIZCTEOSA-N 0 3 320.820 2.373 20 30 DEEDHN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000848403384 651456748 /nfs/dbraw/zinc/45/67/48/651456748.db2.gz RUEJNKGHHGUNDU-BMFZPTHFSA-N 0 3 303.406 2.026 20 30 DEEDHN C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000848573075 651472965 /nfs/dbraw/zinc/47/29/65/651472965.db2.gz XUNBDKPLNMBZAK-IINYFYTJSA-N 0 3 303.337 2.331 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577323 651474187 /nfs/dbraw/zinc/47/41/87/651474187.db2.gz DFKQBYOGMXUIJA-LRDDRELGSA-N 0 3 315.373 2.050 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577324 651474213 /nfs/dbraw/zinc/47/42/13/651474213.db2.gz DFKQBYOGMXUIJA-MLGOLLRUSA-N 0 3 315.373 2.050 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(C)(C)C(O)(CC)CC)CC1 ZINC000855347748 651679434 /nfs/dbraw/zinc/67/94/34/651679434.db2.gz ULLMDFQVFDAAEN-UHFFFAOYSA-N 0 3 308.466 2.025 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000855363201 651683948 /nfs/dbraw/zinc/68/39/48/651683948.db2.gz ZXAFNEGRKOWQGK-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H](COC)OC ZINC000850345483 651904829 /nfs/dbraw/zinc/90/48/29/651904829.db2.gz BNMNLVQJSCLFLE-ZDUSSCGKSA-N 0 3 311.809 2.493 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1 ZINC000856490188 651942108 /nfs/dbraw/zinc/94/21/08/651942108.db2.gz XMNFKEMRXBDQKP-KRWDZBQOSA-N 0 3 300.402 2.159 20 30 DEEDHN CC(C)(C)OC(=O)C1(C(=O)C(C#N)c2ccncn2)CC=CC1 ZINC000850947200 652026341 /nfs/dbraw/zinc/02/63/41/652026341.db2.gz DYYBDHKFRSGMQP-GFCCVEGCSA-N 0 3 313.357 2.331 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)C1CC2(CC2)C1 ZINC000850976994 652034960 /nfs/dbraw/zinc/03/49/60/652034960.db2.gz KRBNUDKLKVLMOY-ZDUSSCGKSA-N 0 3 318.323 2.480 20 30 DEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000850987090 652037453 /nfs/dbraw/zinc/03/74/53/652037453.db2.gz UPQCLXLPWLIGSG-CZUORRHYSA-N 0 3 322.368 2.277 20 30 DEEDHN C#CC[C@@H](COC)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000858335934 652310764 /nfs/dbraw/zinc/31/07/64/652310764.db2.gz OOALHJPJTNYEIY-FUHWJXTLSA-N 0 3 303.402 2.372 20 30 DEEDHN N#Cc1cc(F)ccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000852009599 652311204 /nfs/dbraw/zinc/31/12/04/652311204.db2.gz NDBLUTWDZAYPGX-GOSISDBHSA-N 0 3 317.408 2.384 20 30 DEEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCC(=O)O3)CC2)c(F)c1 ZINC000852044192 652322172 /nfs/dbraw/zinc/32/21/72/652322172.db2.gz 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/nfs/dbraw/zinc/57/43/58/652574358.db2.gz SEYZLRPAMFWNKS-IAGOWNOFSA-N 0 3 308.385 2.348 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000854070856 652637915 /nfs/dbraw/zinc/63/79/15/652637915.db2.gz SNNYBRWOUOBXFY-KRWDZBQOSA-N 0 3 301.434 2.214 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NCc1ccc(C#N)s1 ZINC001371376092 1155838414 /nfs/dbraw/zinc/83/84/14/1155838414.db2.gz IRCRYZNLUGKZCU-WKPIXPDZSA-N 0 3 303.431 2.260 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@](C)(O)C1CC1)C1CC1 ZINC001391784320 1156802214 /nfs/dbraw/zinc/80/22/14/1156802214.db2.gz DUZQZYNZSZKTLS-HOTGVXAUSA-N 0 3 314.857 2.165 20 30 DEEDHN N#CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000355548794 685354199 /nfs/dbraw/zinc/35/41/99/685354199.db2.gz SJXJGEHSUZOGOR-CQSZACIVSA-N 0 3 307.344 2.174 20 30 DEEDHN C#CCCOC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000858929273 685621446 /nfs/dbraw/zinc/62/14/46/685621446.db2.gz DSZJZLSZSRIGCZ-UHFFFAOYSA-N 0 3 315.417 2.180 20 30 DEEDHN C=CCc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc(OC)c1OC ZINC000928452065 693784222 /nfs/dbraw/zinc/78/42/22/693784222.db2.gz MSKFRVAGHHSEGM-IUODEOHRSA-N 0 3 318.417 2.255 20 30 DEEDHN N#CC(C(=O)CCn1cnc2ccccc2c1=O)c1ccccn1 ZINC000041492277 683890460 /nfs/dbraw/zinc/89/04/60/683890460.db2.gz WJOTVEBKUWDEBV-AWEZNQCLSA-N 0 3 318.336 2.058 20 30 DEEDHN N#CC(C(=O)CCc1cscn1)C(=O)NC1CCCCC1 ZINC000078701397 683965682 /nfs/dbraw/zinc/96/56/82/683965682.db2.gz XSNDRDVODJCTMR-ZDUSSCGKSA-N 0 3 305.403 2.233 20 30 DEEDHN CC(C)(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)n[nH]1 ZINC000126343679 684153369 /nfs/dbraw/zinc/15/33/69/684153369.db2.gz DYTNLSVJRKAMBC-SNVBAGLBSA-N 0 3 311.345 2.063 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccn2)c(C)c1 ZINC000126412308 684153762 /nfs/dbraw/zinc/15/37/62/684153762.db2.gz KOUOGAKKSGZLBG-CQSZACIVSA-N 0 3 323.352 2.425 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000131012325 684195169 /nfs/dbraw/zinc/19/51/69/684195169.db2.gz MLIQPGDMSWJNCY-CYBMUJFWSA-N 0 3 324.327 2.454 20 30 DEEDHN CNC(=O)C(C#N)C(=O)COc1ccccc1Cc1ccccc1 ZINC000133390442 684219361 /nfs/dbraw/zinc/21/93/61/684219361.db2.gz CXBIGAWYGUAAJC-INIZCTEOSA-N 0 3 322.364 2.111 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000133441998 684219744 /nfs/dbraw/zinc/21/97/44/684219744.db2.gz AACSJDBWQOJAIU-SMDDNHRTSA-N 0 3 302.374 2.206 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)oc1C)C2 ZINC001054083684 693836305 /nfs/dbraw/zinc/83/63/05/693836305.db2.gz KBXITRGKDSEGPG-SFHVURJKSA-N 0 3 300.402 2.458 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)c(C)o1)C2 ZINC001054117438 693850907 /nfs/dbraw/zinc/85/09/07/693850907.db2.gz NIEFKHXCJYCNJN-SFHVURJKSA-N 0 3 300.402 2.458 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(c3ccccn3)CC1)C2 ZINC001054132629 693857748 /nfs/dbraw/zinc/85/77/48/693857748.db2.gz LAYFWWWBZOOMAP-LJQANCHMSA-N 0 3 323.440 2.061 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)SC)C2 ZINC001054118551 693851714 /nfs/dbraw/zinc/85/17/14/693851714.db2.gz 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/nfs/dbraw/zinc/87/76/73/693877673.db2.gz WJFYHCMYQNOSNK-LJQANCHMSA-N 0 3 314.429 2.468 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C1CC1)C1CC1)C2 ZINC001054225419 693889688 /nfs/dbraw/zinc/88/96/88/693889688.db2.gz WWAPMZYQACNKFI-IBGZPJMESA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)no1)C2 ZINC001054230204 693892915 /nfs/dbraw/zinc/89/29/15/693892915.db2.gz PBSIVUSUKWNDQV-OAHLLOKOSA-N 0 3 309.797 2.442 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1C)C2 ZINC001054238071 693894876 /nfs/dbraw/zinc/89/48/76/693894876.db2.gz KUYZAFHGHGGSQS-FQEVSTJZSA-N 0 3 310.441 2.485 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cncn3C)cc2C1 ZINC001054273521 693910487 /nfs/dbraw/zinc/91/04/87/693910487.db2.gz OQFJKSYGGJDFBO-UHFFFAOYSA-N 0 3 310.401 2.242 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000246580775 685132692 /nfs/dbraw/zinc/13/26/92/685132692.db2.gz OGGYDKHMLOAQGR-UHTWSYAYSA-N 0 3 304.296 2.056 20 30 DEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1cccc(C)c1)C1CC1 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CC#CCN1CCC2(C[C@@H]2NC(=O)c2occ3c2CCC3)CC1 ZINC001016754071 687695729 /nfs/dbraw/zinc/69/57/29/687695729.db2.gz LQYJHURCMHATQR-INIZCTEOSA-N 0 3 312.413 2.376 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001016790541 687703596 /nfs/dbraw/zinc/70/35/96/687703596.db2.gz HJEUUNOWUBOWIJ-UONOGXRCSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC001016795894 687704708 /nfs/dbraw/zinc/70/47/08/687704708.db2.gz KREAJCMIUKMJAP-ZDUSSCGKSA-N 0 3 322.330 2.321 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001016808204 687707394 /nfs/dbraw/zinc/70/73/94/687707394.db2.gz QCFDYIFUVKEHSM-SFHVURJKSA-N 0 3 310.441 2.450 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(F)ccc(C)c2F)CC1 ZINC001016812192 687708248 /nfs/dbraw/zinc/70/82/48/687708248.db2.gz ZKKRMMBTLAYRCR-CQSZACIVSA-N 0 3 318.367 2.491 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(F)c(OC)c2)CC1 ZINC001016845806 687717317 /nfs/dbraw/zinc/71/73/17/687717317.db2.gz 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DEEDHN C=CCCC(C)(C)CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000868215130 687949944 /nfs/dbraw/zinc/94/99/44/687949944.db2.gz AYKPXEMHUASPMF-LSDHHAIUSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000868221407 687951566 /nfs/dbraw/zinc/95/15/66/687951566.db2.gz IAIGFQOUFISCAE-GJZGRUSLSA-N 0 3 323.506 2.421 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001017752030 687953956 /nfs/dbraw/zinc/95/39/56/687953956.db2.gz UVNNKMSBFWXBHC-XDNAFOTISA-N 0 3 318.461 2.443 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]ncc21 ZINC001017786259 687961928 /nfs/dbraw/zinc/96/19/28/687961928.db2.gz RZJUIOCBTWYZSV-OKILXGFUSA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccn1 ZINC001018155795 688066263 /nfs/dbraw/zinc/06/62/63/688066263.db2.gz VAWNSEFIHOWNLF-OAGGEKHMSA-N 0 3 302.422 2.086 20 30 DEEDHN COc1ccc(CN[C@H]2CCN(C(=O)C3(C)CC3)C2)cc1C#N ZINC001018891107 688246597 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccsc2COC)C1 ZINC001020295522 688499514 /nfs/dbraw/zinc/49/95/14/688499514.db2.gz ZWXUZCPVPRYUOS-XYPYZODXSA-N 0 3 314.838 2.497 20 30 DEEDHN CN1CCN(C(=O)c2ccccc2OCC#N)CCC1(C)C ZINC000871153121 688736917 /nfs/dbraw/zinc/73/69/17/688736917.db2.gz GYWRLJDHWNMYNT-UHFFFAOYSA-N 0 3 301.390 2.145 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)Nc2cc(CC#N)ccn2)C1 ZINC000871730475 688853921 /nfs/dbraw/zinc/85/39/21/688853921.db2.gz FJUNFUVEPIOVJF-UHFFFAOYSA-N 0 3 315.421 2.391 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC[C@H](C#N)CCC#N)C1 ZINC000872233570 688959233 /nfs/dbraw/zinc/95/92/33/688959233.db2.gz VAFXQJLVGUGZNK-IHRRRGAJSA-N 0 3 306.410 2.323 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(C(F)(F)F)s1 ZINC000872247478 688962725 /nfs/dbraw/zinc/96/27/25/688962725.db2.gz MHONMMJPBFMNSN-JTQLQIEISA-N 0 3 321.368 2.063 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001031668789 688977140 /nfs/dbraw/zinc/97/71/40/688977140.db2.gz ODRMCLDPFLUMLJ-HUUCEWRRSA-N 0 3 302.443 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C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001032669014 689219672 /nfs/dbraw/zinc/21/96/72/689219672.db2.gz TZXGRIRNRPFNLF-NXJYUQPGSA-N 0 3 308.425 2.434 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cccnc2C1 ZINC001032754397 689248184 /nfs/dbraw/zinc/24/81/84/689248184.db2.gz FZBSEGZZWJBXLY-IKGGRYGDSA-N 0 3 311.429 2.048 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800210 689263724 /nfs/dbraw/zinc/26/37/24/689263724.db2.gz ALENFLDAGPVFAT-IRXDYDNUSA-N 0 3 313.445 2.223 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc3cc(C)ccn23)C1 ZINC001033104598 689388487 /nfs/dbraw/zinc/38/84/87/689388487.db2.gz YDIRWYNQJFGELD-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000930939256 694279599 /nfs/dbraw/zinc/27/95/99/694279599.db2.gz GFWGSMFDTLALAI-CQSZACIVSA-N 0 3 301.390 2.257 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001033140115 689402980 /nfs/dbraw/zinc/40/29/80/689402980.db2.gz PUDPFVHIHHYXOE-LBPRGKRZSA-N 0 3 320.824 2.110 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2nccc3ccsc32)C1 ZINC001033163143 689409529 /nfs/dbraw/zinc/40/95/29/689409529.db2.gz GVISVODYRYNRIS-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001033166367 689410289 /nfs/dbraw/zinc/41/02/89/689410289.db2.gz SQKOGZIJXHQDAP-INIZCTEOSA-N 0 3 324.428 2.121 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001033244962 689437642 /nfs/dbraw/zinc/43/76/42/689437642.db2.gz BSQJIRWBWWDKNM-IRXDYDNUSA-N 0 3 314.429 2.347 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc3cnccc3c2)C1 ZINC001033266034 689444099 /nfs/dbraw/zinc/44/40/99/689444099.db2.gz OTQXNMWEMNQRAZ-INIZCTEOSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033450945 689503329 /nfs/dbraw/zinc/50/33/29/689503329.db2.gz BZNOJUUHOVEUGG-CQSZACIVSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3ccccc3)n2)C1 ZINC001033463233 689509244 /nfs/dbraw/zinc/50/92/44/689509244.db2.gz JAKSZPDJYAQTKP-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001033575070 689548759 /nfs/dbraw/zinc/54/87/59/689548759.db2.gz GMAQMZUHURRHFE-KRWDZBQOSA-N 0 3 302.418 2.094 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001033585377 689551733 /nfs/dbraw/zinc/55/17/33/689551733.db2.gz HRZJTFGYWSFPQB-INIZCTEOSA-N 0 3 301.434 2.383 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3ccccc3n2)C1 ZINC001033608688 689558189 /nfs/dbraw/zinc/55/81/89/689558189.db2.gz HTFBMQZCAIKSPM-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(OC)cc2OC)C1 ZINC001033614807 689560818 /nfs/dbraw/zinc/56/08/18/689560818.db2.gz VNQZZHIYVOGLEK-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(OC)cc(OC)c2)C1 ZINC001033620821 689561929 /nfs/dbraw/zinc/56/19/29/689561929.db2.gz 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/nfs/dbraw/zinc/66/70/69/689667069.db2.gz KWIPHQZFBSPHKE-SJORKVTESA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCC(OC)CC2)C1 ZINC001033942413 689669231 /nfs/dbraw/zinc/66/92/31/689669231.db2.gz MEGLDTTXYYVNQB-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033970111 689677791 /nfs/dbraw/zinc/67/77/91/689677791.db2.gz YXQJYRBQWJNJIR-FGTMMUONSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3cnccc3n2)C1 ZINC001033975086 689680102 /nfs/dbraw/zinc/68/01/02/689680102.db2.gz JFSPZUXLWWTCOV-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000875831029 689701632 /nfs/dbraw/zinc/70/16/32/689701632.db2.gz DBCIFRIYWDWQJS-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCC(=O)N[C@@H]1CCCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001034058903 689710027 /nfs/dbraw/zinc/71/00/27/689710027.db2.gz VJGZKANIHUBMFE-MRXNPFEDSA-N 0 3 315.417 2.470 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001034273061 689790145 /nfs/dbraw/zinc/79/01/45/689790145.db2.gz ZNXWHTHROMLNFC-OAHLLOKOSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nnn(CC)c2CC)C1 ZINC001034390580 689831012 /nfs/dbraw/zinc/83/10/12/689831012.db2.gz DRKZBPPYXHCQGQ-CQSZACIVSA-N 0 3 319.453 2.021 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccnc(OCC)c2)C1 ZINC001034392411 689833393 /nfs/dbraw/zinc/83/33/93/689833393.db2.gz JTPBNKCRUMOWDK-MRXNPFEDSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001034396923 689834806 /nfs/dbraw/zinc/83/48/06/689834806.db2.gz IXUVFTFGXOEGDH-KRWDZBQOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001034436239 689850252 /nfs/dbraw/zinc/85/02/52/689850252.db2.gz QMYUUQJZURUGMX-KRWDZBQOSA-N 0 3 300.402 2.487 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccn3ccnc23)C1 ZINC001034437730 689850551 /nfs/dbraw/zinc/85/05/51/689850551.db2.gz BVRZIHQFCSCRNM-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)NCCC ZINC000876557226 689856007 /nfs/dbraw/zinc/85/60/07/689856007.db2.gz GNAKXSVXORWIFE-LBPRGKRZSA-N 0 3 309.797 2.235 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCOC)Cc1cccs1 ZINC000876563134 689857994 /nfs/dbraw/zinc/85/79/94/689857994.db2.gz YNVLCSRLUDMPKZ-GFCCVEGCSA-N 0 3 302.827 2.193 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034470960 689862320 /nfs/dbraw/zinc/86/23/20/689862320.db2.gz ZFTAPPPAAKZADJ-CQSZACIVSA-N 0 3 303.406 2.406 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC001034471674 689863137 /nfs/dbraw/zinc/86/31/37/689863137.db2.gz JZKBUQAKAMUUDR-AWEZNQCLSA-N 0 3 312.417 2.344 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001034494753 689873097 /nfs/dbraw/zinc/87/30/97/689873097.db2.gz DKXOKUMYQCWYPH-AWEZNQCLSA-N 0 3 305.809 2.343 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000876620612 689878117 /nfs/dbraw/zinc/87/81/17/689878117.db2.gz 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DEEDHN C#CCN1CCC2(CN(C(=O)c3oc(C4CC4)nc3C)C2)CC1 ZINC001050693427 693233658 /nfs/dbraw/zinc/23/36/58/693233658.db2.gz YUBYWRPAFXNSKZ-UHFFFAOYSA-N 0 3 313.401 2.032 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)C[C@@H]3CCO[C@@H](CC)C3)C2)CC1 ZINC001050723329 693238459 /nfs/dbraw/zinc/23/84/59/693238459.db2.gz NFQFUZWZQUUAFE-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3sccc3OC)C2)CC1 ZINC001050734140 693240248 /nfs/dbraw/zinc/24/02/48/693240248.db2.gz LRPJCOIEYPLPBO-UHFFFAOYSA-N 0 3 318.442 2.318 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925324423 693257642 /nfs/dbraw/zinc/25/76/42/693257642.db2.gz ISYJRUABXTWIOY-WMLDXEAASA-N 0 3 312.417 2.348 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001051315224 693337477 /nfs/dbraw/zinc/33/74/77/693337477.db2.gz YEFFJKWRRSMLKM-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@@H](CNCc2ccccc2F)C1 ZINC001051755171 693388380 /nfs/dbraw/zinc/38/83/80/693388380.db2.gz 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C#CCN1CCC[C@@H](NC(=O)c2c(C)ccnc2OCC)CC1 ZINC001052588744 693573828 /nfs/dbraw/zinc/57/38/28/693573828.db2.gz AJAIBTIBEXOQCG-OAHLLOKOSA-N 0 3 315.417 2.006 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](NC(=O)c3cnco3)CC2)cc1 ZINC001052607118 693578027 /nfs/dbraw/zinc/57/80/27/693578027.db2.gz YWSJLZWLFDDIDT-MRXNPFEDSA-N 0 3 324.384 2.331 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2c(F)ccc(F)c2OC)CC1 ZINC001052616964 693580117 /nfs/dbraw/zinc/58/01/17/693580117.db2.gz HVOCTYDLWRHPGO-LBPRGKRZSA-N 0 3 322.355 2.191 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc(F)c(F)cc2F)CC1 ZINC001052665743 693591792 /nfs/dbraw/zinc/59/17/92/693591792.db2.gz DJPVCCMWWCNBTD-NSHDSACASA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2c(F)ccc(F)c2F)CC1 ZINC001052666276 693592486 /nfs/dbraw/zinc/59/24/86/693592486.db2.gz QNTGRDCTERWXFE-NSHDSACASA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC001052760332 693613451 /nfs/dbraw/zinc/61/34/51/693613451.db2.gz CEPWXCXGDRUTTL-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC001052763707 693614750 /nfs/dbraw/zinc/61/47/50/693614750.db2.gz JAXQUGNFQDDAAQ-CQSZACIVSA-N 0 3 323.396 2.158 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(C)c2)CC1 ZINC001052793445 693620544 /nfs/dbraw/zinc/62/05/44/693620544.db2.gz DHWHBOZMCTUHQA-INIZCTEOSA-N 0 3 300.402 2.221 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cn(CCC)nc2C)CC1 ZINC001052823055 693626070 /nfs/dbraw/zinc/62/60/70/693626070.db2.gz YMQSWJOBLOMKHY-INIZCTEOSA-N 0 3 316.449 2.209 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2coc(C3CCC3)n2)CC1 ZINC001052849901 693633775 /nfs/dbraw/zinc/63/37/75/693633775.db2.gz ICECUIVUFBCBLZ-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC001052926086 693649400 /nfs/dbraw/zinc/64/94/00/693649400.db2.gz DPRDAFVBGCHVPH-LJQANCHMSA-N 0 3 310.441 2.322 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001052951165 693654791 /nfs/dbraw/zinc/65/47/91/693654791.db2.gz 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COCC#CCN1CCC([C@@H](C)NC(=O)/C=C(/C)C2CC2)CC1 ZINC001332932572 1149927264 /nfs/dbraw/zinc/92/72/64/1149927264.db2.gz FQYXOJOHHRPPNF-YARYAAFXSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCOCC(=O)N(C)C1CC(NCc2c(C)nsc2C)C1 ZINC001333042116 1149968471 /nfs/dbraw/zinc/96/84/71/1149968471.db2.gz DIBTWLMWUXTVIX-UHFFFAOYSA-N 0 3 323.462 2.042 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001346330858 1150971216 /nfs/dbraw/zinc/97/12/16/1150971216.db2.gz PQHOTWHVLGYUFR-IRXDYDNUSA-N 0 3 321.465 2.380 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC001346537275 1151001747 /nfs/dbraw/zinc/00/17/47/1151001747.db2.gz JDASGPHCEIOCDR-SNVBAGLBSA-N 0 3 324.262 2.246 20 30 DEEDHN C#CCN(C(=O)c1c[nH]c2cc(=O)ccc-2c1)C1CCN(C)CC1 ZINC001348429076 1151155436 /nfs/dbraw/zinc/15/54/36/1151155436.db2.gz HUSCRALMSMWDAM-UHFFFAOYSA-N 0 3 323.396 2.110 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001480277381 1151737149 /nfs/dbraw/zinc/73/71/49/1151737149.db2.gz UPPFRTVVBRDMGS-LSDHHAIUSA-N 0 3 302.422 2.332 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cnc2ccccc2c1 ZINC001354931470 1151958598 /nfs/dbraw/zinc/95/85/98/1151958598.db2.gz MXYSKRGTCLTOBI-MRXNPFEDSA-N 0 3 310.401 2.305 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001354944683 1151959873 /nfs/dbraw/zinc/95/98/73/1151959873.db2.gz VWHQVUIUZPGARL-MGPQQGTHSA-N 0 3 307.344 2.173 20 30 DEEDHN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21)C1CC1 ZINC001378683700 1152415218 /nfs/dbraw/zinc/41/52/18/1152415218.db2.gz GGSGWERCXRZHSR-ZQEOTTOMSA-N 0 3 323.440 2.398 20 30 DEEDHN CO[C@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1)C(C)C ZINC001379740350 1152686070 /nfs/dbraw/zinc/68/60/70/1152686070.db2.gz JGNGBINSONUHLF-YOEHRIQHSA-N 0 3 317.433 2.166 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2nccs2)C1 ZINC001381339350 1153009184 /nfs/dbraw/zinc/00/91/84/1153009184.db2.gz FZTSMTZMLQXJAG-UHFFFAOYSA-N 0 3 313.854 2.313 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)CCOc1ccccc1 ZINC001402904163 1162526922 /nfs/dbraw/zinc/52/69/22/1162526922.db2.gz MFRXISLHTXDTPQ-HZPDHXFCSA-N 0 3 315.417 2.148 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001381504076 1153099486 /nfs/dbraw/zinc/09/94/86/1153099486.db2.gz DHMXXIGKKXKRLB-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)CN(C)CCC)CCC[C@H]12 ZINC001382338478 1153429428 /nfs/dbraw/zinc/42/94/28/1153429428.db2.gz PCVBFOWYBFPRHJ-GOEBONIOSA-N 0 3 313.873 2.194 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2cccc(C#N)n2)C1 ZINC001363951993 1153737885 /nfs/dbraw/zinc/73/78/85/1153737885.db2.gz USMOTVJKGNZXOC-HDJSIYSDSA-N 0 3 302.378 2.099 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)C2CCC2)C2CC2)c(F)c1 ZINC001389556059 1155367821 /nfs/dbraw/zinc/36/78/21/1155367821.db2.gz NPDZVBFIVHXZQF-KRWDZBQOSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COc2ccsc2)C1 ZINC001389895947 1155465069 /nfs/dbraw/zinc/46/50/69/1155465069.db2.gz HHYHQFZQYCEZDG-XYPYZODXSA-N 0 3 300.811 2.116 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CC2(C)C)cc1C#N ZINC001371170599 1155757214 /nfs/dbraw/zinc/75/72/14/1155757214.db2.gz ZKNUWCJGGLAVTA-IUODEOHRSA-N 0 3 315.417 2.207 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](F)C(C)C)cc1C#N ZINC001371321006 1155822701 /nfs/dbraw/zinc/82/27/01/1155822701.db2.gz QAYVNZGNAWOARV-LRDDRELGSA-N 0 3 321.396 2.155 20 30 DEEDHN CCN(CCNC(=O)c1cncs1)Cc1ccc(C#N)cc1 ZINC001390878963 1155903193 /nfs/dbraw/zinc/90/31/93/1155903193.db2.gz DAUSAHYFONLSEV-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)SC)Cc1ccc(C#N)cc1 ZINC001390884033 1155911402 /nfs/dbraw/zinc/91/14/02/1155911402.db2.gz OXPJGMSMRHOWLM-ZDUSSCGKSA-N 0 3 305.447 2.248 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001371773954 1156009434 /nfs/dbraw/zinc/00/94/34/1156009434.db2.gz REGWSVUBPCSTEG-AAEUAGOBSA-N 0 3 324.856 2.316 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C(C)(C)COC ZINC001371796423 1156018993 /nfs/dbraw/zinc/01/89/93/1156018993.db2.gz AFUCAKIPTSMHCT-NSHDSACASA-N 0 3 321.259 2.052 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001391300396 1156321186 /nfs/dbraw/zinc/32/11/86/1156321186.db2.gz RXJYTFBXXLNCGY-CABCVRRESA-N 0 3 310.401 2.046 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001373303528 1156953602 /nfs/dbraw/zinc/95/36/02/1156953602.db2.gz XYXPCZDFLGCNOW-OCCSQVGLSA-N 0 3 324.856 2.121 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001373303528 1156953617 /nfs/dbraw/zinc/95/36/17/1156953617.db2.gz XYXPCZDFLGCNOW-OCCSQVGLSA-N 0 3 324.856 2.121 20 30 DEEDHN CN(CCc1ccccc1)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001392272380 1156961213 /nfs/dbraw/zinc/96/12/13/1156961213.db2.gz OMNMNGDLVUEXTI-UHFFFAOYSA-N 0 3 310.401 2.133 20 30 DEEDHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001392574188 1157150987 /nfs/dbraw/zinc/15/09/87/1157150987.db2.gz IADKTGFGNWUOPC-ZOWXZIJZSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2cncnc2)CCCC1 ZINC001373850977 1157405751 /nfs/dbraw/zinc/40/57/51/1157405751.db2.gz XEMCLRAZRFAIGT-UHFFFAOYSA-N 0 3 322.840 2.180 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccnnc1C)C1CC1 ZINC001373880302 1157430219 /nfs/dbraw/zinc/43/02/19/1157430219.db2.gz HWFMSGHAGLIZAD-OAHLLOKOSA-N 0 3 308.813 2.026 20 30 DEEDHN Cc1ccc(CC(=O)NCC2(NCc3cccc(C#N)c3)CC2)o1 ZINC001392900448 1157529419 /nfs/dbraw/zinc/52/94/19/1157529419.db2.gz FWBLNPKQAHVORD-UHFFFAOYSA-N 0 3 323.396 2.441 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)Oc1cccnc1 ZINC001403451833 1162887116 /nfs/dbraw/zinc/88/71/16/1162887116.db2.gz ZYIRAMALOBMKQP-OLZOCXBDSA-N 0 3 311.813 2.086 20 30 DEEDHN Cc1ncsc1CN1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001393596283 1157873982 /nfs/dbraw/zinc/87/39/82/1157873982.db2.gz FFMBFVFLXCUEHG-AAEUAGOBSA-N 0 3 306.435 2.082 20 30 DEEDHN COc1ccc(C)cc1CN(C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001393614552 1157882311 /nfs/dbraw/zinc/88/23/11/1157882311.db2.gz WZHTYEYVZQLDPS-HNNXBMFYSA-N 0 3 317.433 2.444 20 30 DEEDHN CCCC(C)(C)C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 ZINC001374643117 1157948230 /nfs/dbraw/zinc/94/82/30/1157948230.db2.gz QDXYVNZAPXKCNR-GFCCVEGCSA-N 0 3 323.462 2.013 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H](C)NC(=O)C1CCC1 ZINC001393909698 1158060533 /nfs/dbraw/zinc/06/05/33/1158060533.db2.gz LPMQRBQATPPPDC-OLZOCXBDSA-N 0 3 315.417 2.350 20 30 DEEDHN CCc1nc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)co1 ZINC001374885381 1158074529 /nfs/dbraw/zinc/07/45/29/1158074529.db2.gz ZJDOYEFTLSYZSX-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cc(F)c[nH]1 ZINC001374920301 1158091600 /nfs/dbraw/zinc/09/16/00/1158091600.db2.gz YQDTUCIZZWZNGU-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@H](CN(C)CCOc1ccccc1Cl)NC(=O)[C@@H](C)C#N ZINC001375020420 1158211681 /nfs/dbraw/zinc/21/16/81/1158211681.db2.gz NVJWGISKNGHXNB-QWHCGFSZSA-N 0 3 323.824 2.315 20 30 DEEDHN Cc1cccc(CN(C)C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)c1 ZINC001375031365 1158223745 /nfs/dbraw/zinc/22/37/45/1158223745.db2.gz SMGNQRPWFCGOTP-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cc(F)c[nH]1 ZINC001375120193 1158329897 /nfs/dbraw/zinc/32/98/97/1158329897.db2.gz XAYCPAWMHOKAKN-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001394361082 1158427469 /nfs/dbraw/zinc/42/74/69/1158427469.db2.gz NPHISEBIEOYQOF-XEZPLFJOSA-N 0 3 317.458 2.294 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(COC)CCCC2)C1 ZINC001394367343 1158434355 /nfs/dbraw/zinc/43/43/55/1158434355.db2.gz WGAJMQPDJCVHAU-HDJSIYSDSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001394368243 1158436119 /nfs/dbraw/zinc/43/61/19/1158436119.db2.gz WUMGLVQSUZRLKM-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN CC(C)OCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001394680267 1158670734 /nfs/dbraw/zinc/67/07/34/1158670734.db2.gz VXHPDRRYJNRGJA-STQMWFEESA-N 0 3 321.446 2.124 20 30 DEEDHN CC[C@H](CN(C)CCN(C(=O)c1cc(C#N)c[nH]1)C(C)C)OC ZINC001394801848 1158785292 /nfs/dbraw/zinc/78/52/92/1158785292.db2.gz OLJBLLRJZUNWIJ-OAHLLOKOSA-N 0 3 320.437 2.094 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001375548877 1158809561 /nfs/dbraw/zinc/80/95/61/1158809561.db2.gz KLIYTDSBXJSCJY-IHRRRGAJSA-N 0 3 310.829 2.071 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CCCOCC1)NCc1ccc(C#N)s1 ZINC001376721055 1159723133 /nfs/dbraw/zinc/72/31/33/1159723133.db2.gz YLBKGOVNHSGZEC-OLZOCXBDSA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1cccnc1CNC1(CNC(=O)c2ccc(C#N)[nH]2)CCC1 ZINC001376738771 1159747211 /nfs/dbraw/zinc/74/72/11/1159747211.db2.gz MTFQRBXSJGQFTJ-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](NCc2ccncc2Cl)C1 ZINC001397151235 1160020327 /nfs/dbraw/zinc/02/03/27/1160020327.db2.gz FPDQJXLIUPVYHD-MBNYWOFBSA-N 0 3 320.824 2.269 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC001377321498 1160214805 /nfs/dbraw/zinc/21/48/05/1160214805.db2.gz PDKZDJNBUPHHTR-YOEHRIQHSA-N 0 3 324.428 2.435 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001397602072 1160356626 /nfs/dbraw/zinc/35/66/26/1160356626.db2.gz HTESVJZNGZMFJF-GASCZTMLSA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)nn(C)c1Cl ZINC001377475489 1160406218 /nfs/dbraw/zinc/40/62/18/1160406218.db2.gz MKCKAJOXHFZUOJ-VIFPVBQESA-N 0 3 319.236 2.232 20 30 DEEDHN C[C@@H](NCC=C(Cl)Cl)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001377777595 1160819629 /nfs/dbraw/zinc/81/96/29/1160819629.db2.gz DPAZTKZDOJSIRB-BDAKNGLRSA-N 0 3 315.204 2.302 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001398759978 1161093651 /nfs/dbraw/zinc/09/36/51/1161093651.db2.gz FUSICOOMOHXKOC-KBPBESRZSA-N 0 3 301.862 2.050 20 30 DEEDHN C[C@@H](CNC(=O)CC1CCC1)NCc1ccc(F)c(C#N)c1 ZINC001398878680 1161133863 /nfs/dbraw/zinc/13/38/63/1161133863.db2.gz FVXBFNIBGFRRHF-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001399332231 1161352359 /nfs/dbraw/zinc/35/23/59/1161352359.db2.gz ABULQAIWPITUQS-YPMHNXCESA-N 0 3 312.845 2.065 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn(CCC)c1C ZINC001399407284 1161381152 /nfs/dbraw/zinc/38/11/52/1161381152.db2.gz VOQOOFYIYWJBJI-GFCCVEGCSA-N 0 3 312.845 2.452 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](OC)C1CC1)C1CC1 ZINC001400981255 1161854931 /nfs/dbraw/zinc/85/49/31/1161854931.db2.gz WBWBBJOBDWKTJE-ZFWWWQNUSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001401069000 1161866598 /nfs/dbraw/zinc/86/65/98/1161866598.db2.gz DFMSYEQUHSMFJL-BBRMVZONSA-N 0 3 324.856 2.461 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccnc(OC)c2)CCCC1 ZINC001401183182 1161888886 /nfs/dbraw/zinc/88/88/86/1161888886.db2.gz QEJDGMCYXPZLAZ-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001401852824 1162154192 /nfs/dbraw/zinc/15/41/92/1162154192.db2.gz FCYGQCSMOCAKFX-GXTWGEPZSA-N 0 3 310.829 2.071 20 30 DEEDHN CCC[C@H](OC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001401965124 1162198920 /nfs/dbraw/zinc/19/89/20/1162198920.db2.gz IACNIICRNAOPEC-INIZCTEOSA-N 0 3 315.417 2.112 20 30 DEEDHN CCN(CCNC(=O)c1oncc1C)Cc1cccc(C#N)c1 ZINC001403925768 1163300232 /nfs/dbraw/zinc/30/02/32/1163300232.db2.gz IHWDYHGYXFSJGO-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)[C@@H]1CCc2ccc(F)cc21 ZINC001492927169 1163372497 /nfs/dbraw/zinc/37/24/97/1163372497.db2.gz RHDZDCCXKMOSCN-MLGOLLRUSA-N 0 3 303.381 2.411 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cnnc(C)c1)C1CC1 ZINC001405424410 1164084576 /nfs/dbraw/zinc/08/45/76/1164084576.db2.gz IHBYMTRFYYORML-HNNXBMFYSA-N 0 3 308.813 2.026 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)C1CCC1 ZINC001406574349 1164684877 /nfs/dbraw/zinc/68/48/77/1164684877.db2.gz DIXZTVHQTYWNNU-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN CCOCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001408299272 1165571214 /nfs/dbraw/zinc/57/12/14/1165571214.db2.gz AEQDXIQYCBSHGI-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1OCC ZINC001417818586 1167233192 /nfs/dbraw/zinc/23/31/92/1167233192.db2.gz WTVBJOUMFONVNG-HUUCEWRRSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)COCC(F)F)C1 ZINC001417846719 1167253084 /nfs/dbraw/zinc/25/30/84/1167253084.db2.gz OKHNLSFPPWLTKU-GFCCVEGCSA-N 0 3 324.799 2.381 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](NCc1cccc(F)c1F)C1CC1 ZINC001417971618 1167337156 /nfs/dbraw/zinc/33/71/56/1167337156.db2.gz WHQUWSWMHZVAIY-HZMBPMFUSA-N 0 3 307.344 2.109 20 30 DEEDHN CC1(C(=O)NC[C@H](NCc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001417995239 1167351893 /nfs/dbraw/zinc/35/18/93/1167351893.db2.gz YEAWIQXGRIGANZ-INIZCTEOSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2(CC)CC2)C1 ZINC001418062940 1167389163 /nfs/dbraw/zinc/38/91/63/1167389163.db2.gz MQLYHNPOUBDPKP-XYPYZODXSA-N 0 3 301.228 2.322 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)CCCF)C2)c(F)c1 ZINC001418101900 1167411360 /nfs/dbraw/zinc/41/13/60/1167411360.db2.gz NCHSKXBTFNOPAN-OKILXGFUSA-N 0 3 307.344 2.184 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001418121035 1167423115 /nfs/dbraw/zinc/42/31/15/1167423115.db2.gz HCQCAITWYWDCJO-OCCSQVGLSA-N 0 3 318.421 2.033 20 30 DEEDHN Cc1occc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001418190805 1167472597 /nfs/dbraw/zinc/47/25/97/1167472597.db2.gz BTNCMZOOTWRPND-SNVBAGLBSA-N 0 3 303.387 2.429 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2onc(C)c2c1 ZINC001418413823 1167637469 /nfs/dbraw/zinc/63/74/69/1167637469.db2.gz QVJDITFTMZEILQ-JTQLQIEISA-N 0 3 322.796 2.382 20 30 DEEDHN CCN(CCNC(=O)Cc1ccoc1)Cc1ccc(C#N)cc1 ZINC001418540883 1167799855 /nfs/dbraw/zinc/79/98/55/1167799855.db2.gz FFWBODLKXODWHP-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1C ZINC001419074041 1168178058 /nfs/dbraw/zinc/17/80/58/1168178058.db2.gz BGAHZFVDSGINKN-HIFRSBDPSA-N 0 3 324.856 2.303 20 30 DEEDHN Cc1noc(C)c1CN1CCC(CCNC(=O)[C@H](C)C#N)CC1 ZINC001419388023 1168438019 /nfs/dbraw/zinc/43/80/19/1168438019.db2.gz PMFDHCPGBCQDKF-GFCCVEGCSA-N 0 3 318.421 2.169 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001419548300 1168588388 /nfs/dbraw/zinc/58/83/88/1168588388.db2.gz UTHCCXGPHROTAX-RHSMWYFYSA-N 0 3 310.401 2.046 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)nnc2C)CCCC1 ZINC001419606247 1168663208 /nfs/dbraw/zinc/66/32/08/1168663208.db2.gz DWLVLPYNFGVDNV-UHFFFAOYSA-N 0 3 322.840 2.478 20 30 DEEDHN C[C@H](CCNC(=O)[C@@H](C)C#N)NCc1cc(O)ccc1Cl ZINC001420066624 1169132480 /nfs/dbraw/zinc/13/24/80/1169132480.db2.gz LLVZAZNCFJENAZ-WDEREUQCSA-N 0 3 309.797 2.190 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1CC2(CC2)C1 ZINC001420467930 1169607515 /nfs/dbraw/zinc/60/75/15/1169607515.db2.gz YUYHGOQJUNMGHR-NSHDSACASA-N 0 3 303.431 2.404 20 30 DEEDHN Cc1ncoc1C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001420556622 1169793156 /nfs/dbraw/zinc/79/31/56/1169793156.db2.gz IOSPSWYCAQXOCU-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001420811290 1171191636 /nfs/dbraw/zinc/19/16/36/1171191636.db2.gz NHNGEHPMZHUYRF-HUUCEWRRSA-N 0 3 307.438 2.028 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)c1cccnc1 ZINC001421665907 1171889799 /nfs/dbraw/zinc/88/97/99/1171889799.db2.gz SOASDEABYBZBNA-CQSZACIVSA-N 0 3 308.385 2.109 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)COC(C)(C)C ZINC001421685337 1171899050 /nfs/dbraw/zinc/89/90/50/1171899050.db2.gz FRBZXIUCMFVNHR-CQSZACIVSA-N 0 3 317.433 2.215 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCc2ccc(F)c(F)c2)CCC1 ZINC001421737471 1171949435 /nfs/dbraw/zinc/94/94/35/1171949435.db2.gz PRVRJRHKAHVBOG-LLVKDONJSA-N 0 3 307.344 2.253 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CC[C@@H]2CCOC2)C1 ZINC001422264517 1172448420 /nfs/dbraw/zinc/44/84/20/1172448420.db2.gz NFTBLLVQXMGNEV-IYXRBSQSSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H]([N-]C(=O)C(C)(F)F)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001422298395 1172465803 /nfs/dbraw/zinc/46/58/03/1172465803.db2.gz PMLLARQTURLNBX-VHSXEESVSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)NCC=C(Cl)Cl ZINC001422320107 1172488761 /nfs/dbraw/zinc/48/87/61/1172488761.db2.gz IGLADMLNBPNMRD-DTWKUNHWSA-N 0 3 315.204 2.302 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001422482730 1172633804 /nfs/dbraw/zinc/63/38/04/1172633804.db2.gz XMXAUSMJKLEAIM-LLVKDONJSA-N 0 3 314.364 2.242 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)n2cccn2)C1 ZINC001422906040 1172914077 /nfs/dbraw/zinc/91/40/77/1172914077.db2.gz QFJNLTGEGPSNDT-IHRRRGAJSA-N 0 3 310.829 2.071 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)C3CCC3)CC2)cc1F ZINC001423158503 1173128561 /nfs/dbraw/zinc/12/85/61/1173128561.db2.gz CALRWCVSCBRCHA-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001423284498 1173206136 /nfs/dbraw/zinc/20/61/36/1173206136.db2.gz JFKOVYWRGOWEJF-CQSZACIVSA-N 0 3 313.873 2.242 20 30 DEEDHN C[C@H](NCC1(C#N)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001423488272 1173370686 /nfs/dbraw/zinc/37/06/86/1173370686.db2.gz BNCCUTZAXKVXEP-ZDUSSCGKSA-N 0 3 323.437 2.152 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(NCc2cc(F)cc(F)c2)CCC1 ZINC001424162440 1173679337 /nfs/dbraw/zinc/67/93/37/1173679337.db2.gz IVSHBKPMAKAPGB-NSHDSACASA-N 0 3 307.344 2.253 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cncc(C)c2)CCOCC1 ZINC001424425268 1173785143 /nfs/dbraw/zinc/78/51/43/1173785143.db2.gz XNZNWLWCRYILKH-UHFFFAOYSA-N 0 3 323.824 2.011 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001425386284 1174304899 /nfs/dbraw/zinc/30/48/99/1174304899.db2.gz UXSKSLHDYBCJEA-XYPYZODXSA-N 0 3 312.211 2.021 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)NCc1cc(Cl)cc2c1OCC2 ZINC001437129028 1179457884 /nfs/dbraw/zinc/45/78/84/1179457884.db2.gz SRUMIQHXKOQYNG-GHMZBOCLSA-N 0 3 321.808 2.029 20 30 DEEDHN Cc1ccc(C)c(CN(C)CCNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001437454616 1179809437 /nfs/dbraw/zinc/80/94/37/1179809437.db2.gz IIOBBNBGUWFSMX-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN CCN(CCNC(=O)c1c[nH]cc1C)Cc1cccc(C#N)c1 ZINC001437647924 1179875272 /nfs/dbraw/zinc/87/52/72/1179875272.db2.gz QFLAZTZREUASAA-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CC[C@@H](CNC(=O)c1coc(C)n1)NCc1ccc(C#N)s1 ZINC001438291117 1180325177 /nfs/dbraw/zinc/32/51/77/1180325177.db2.gz KVDADNJVGYCTLF-NSHDSACASA-N 0 3 318.402 2.214 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccncc1 ZINC001439299863 1181002274 /nfs/dbraw/zinc/00/22/74/1181002274.db2.gz QKBNCYJOWGZTSD-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001439317743 1181018028 /nfs/dbraw/zinc/01/80/28/1181018028.db2.gz NWHDXBKDYWWHNZ-HNNXBMFYSA-N 0 3 324.428 2.456 20 30 DEEDHN COCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439361644 1181043686 /nfs/dbraw/zinc/04/36/86/1181043686.db2.gz ZPVRKRZVMINXOJ-CQSZACIVSA-N 0 3 317.433 2.167 20 30 DEEDHN CCc1nc(CNC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001439888449 1181292359 /nfs/dbraw/zinc/29/23/59/1181292359.db2.gz OMHZRACUQFMFCO-MLGOLLRUSA-N 0 3 320.462 2.193 20 30 DEEDHN C[C@]1(CNCc2ccccc2C#N)CCN(C(=O)c2cnco2)C1 ZINC001439896043 1181295230 /nfs/dbraw/zinc/29/52/30/1181295230.db2.gz XGNVZYUYHFAEBA-GOSISDBHSA-N 0 3 324.384 2.188 20 30 DEEDHN CCCC(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CCC1 ZINC001440282607 1181423988 /nfs/dbraw/zinc/42/39/88/1181423988.db2.gz AJXSFLXOTCBKON-UHFFFAOYSA-N 0 3 315.417 2.495 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001441568945 1182063755 /nfs/dbraw/zinc/06/37/55/1182063755.db2.gz RUDCVYRTIKWKPX-HIFRSBDPSA-N 0 3 303.381 2.314 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)CCOC1CCCCCC1 ZINC001442653905 1182612122 /nfs/dbraw/zinc/61/21/22/1182612122.db2.gz XQETXNZOKWTCFB-HNNXBMFYSA-N 0 3 309.454 2.324 20 30 DEEDHN CCCN(CCNC(=O)C1CC1)Cc1ccc(F)c(C#N)c1 ZINC001442907290 1182788012 /nfs/dbraw/zinc/78/80/12/1182788012.db2.gz VZUXZUQHDXAIMT-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cccc(C(C)C)n1 ZINC001443890433 1183186663 /nfs/dbraw/zinc/18/66/63/1183186663.db2.gz CEJDCLSCBNXKJR-KBPBESRZSA-N 0 3 302.422 2.349 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)COCC)CCCC[C@H]1C ZINC001444155296 1183301635 /nfs/dbraw/zinc/30/16/35/1183301635.db2.gz HNICSFSXZXIRFL-DOMZBBRYSA-N 0 3 302.846 2.430 20 30 DEEDHN Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001444173323 1183306276 /nfs/dbraw/zinc/30/62/76/1183306276.db2.gz QNDXCILQJZBTCV-RAIGVLPGSA-N 0 3 306.435 2.128 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)CNCc1csc(C(C)(C)C)n1 ZINC001444314655 1183344184 /nfs/dbraw/zinc/34/41/84/1183344184.db2.gz ZPSBPXNLHJXWKW-NWDGAFQWSA-N 0 3 322.478 2.442 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001445936245 1184137948 /nfs/dbraw/zinc/13/79/48/1184137948.db2.gz KTURIWICHUNKHW-ZUZCIYMTSA-N 0 3 307.344 2.109 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001448869183 1185443796 /nfs/dbraw/zinc/44/37/96/1185443796.db2.gz BCEFBCRPZHIDMV-UHFFFAOYSA-N 0 3 321.396 2.364 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1nc(CC)ncc1Cl ZINC001448872479 1185444259 /nfs/dbraw/zinc/44/42/59/1185444259.db2.gz KDHZLHZUGVVNND-UHFFFAOYSA-N 0 3 310.829 2.272 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C\CN(C)CC(F)(F)F ZINC001448882576 1185446398 /nfs/dbraw/zinc/44/63/98/1185446398.db2.gz KKVCTBNNHYZJPL-FPLPWBNLSA-N 0 3 321.387 2.003 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccccc1-n1cccn1 ZINC001448884428 1185446664 /nfs/dbraw/zinc/44/66/64/1185446664.db2.gz RLHTYCQWAXLWNK-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c(C)cc2F)C1 ZINC001331996129 1149805243 /nfs/dbraw/zinc/80/52/43/1149805243.db2.gz MBBMEXNOFKERRU-CHWSQXEVSA-N 0 3 306.356 2.489 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCc3csc(C)n3)CCC[C@H]12 ZINC001332109323 1149820443 /nfs/dbraw/zinc/82/04/43/1149820443.db2.gz GBUMUXRHPDAZCK-DOTOQJQBSA-N 0 3 317.458 2.131 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC[C@@H]3CC(C)(C)CO3)CCC[C@@H]12 ZINC001332116648 1149821745 /nfs/dbraw/zinc/82/17/45/1149821745.db2.gz IZMLLWUBEZQVGH-GPMSIDNRSA-N 0 3 318.461 2.328 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](CN[C@@H](C)c2nnc(C)[nH]2)[C@H](C)C1 ZINC001106194355 782492501 /nfs/dbraw/zinc/49/25/01/782492501.db2.gz LFBJGMMPNAENJB-VNHYZAJKSA-N 0 3 319.453 2.215 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(F)cc(F)cc3F)C2)C1 ZINC001072932969 790309611 /nfs/dbraw/zinc/30/96/11/790309611.db2.gz AXEIWUGGPSRLDU-UHFFFAOYSA-N 0 3 310.319 2.438 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001332676996 1149879284 /nfs/dbraw/zinc/87/92/84/1149879284.db2.gz GKOBBILCKOWBEJ-KRWDZBQOSA-N 0 3 304.434 2.361 20 30 DEEDHN C#CCOc1cccc(NC(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC001332731724 1149885694 /nfs/dbraw/zinc/88/56/94/1149885694.db2.gz XLSSMKSGDZKHIH-HNNXBMFYSA-N 0 3 301.390 2.257 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC001333116511 1150002755 /nfs/dbraw/zinc/00/27/55/1150002755.db2.gz ULIRVSNBOOSOGR-JMLCCBQJSA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2oc(C)nc2C)C[C@H]1C(F)(F)F ZINC001099231684 782757138 /nfs/dbraw/zinc/75/71/38/782757138.db2.gz NUAMOKALUPPHDR-GHMZBOCLSA-N 0 3 317.311 2.070 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cscn2)CC(C)(C)C1 ZINC001089336717 782785688 /nfs/dbraw/zinc/78/56/88/782785688.db2.gz XGQSAGYJAKPUNN-CYBMUJFWSA-N 0 3 305.447 2.387 20 30 DEEDHN C=C(C)[C@H](CC(=O)OC[C@H]1CCN1C1CCOCC1)OCC ZINC001123247164 782921173 /nfs/dbraw/zinc/92/11/73/782921173.db2.gz HSPSTBKJQXVHMY-CVEARBPZSA-N 0 3 311.422 2.154 20 30 DEEDHN CCN(CCNc1cccc(F)c1C#N)C(=O)CN(C)C(C)C ZINC001106779278 782932245 /nfs/dbraw/zinc/93/22/45/782932245.db2.gz YVEPDQXBIAIRJA-UHFFFAOYSA-N 0 3 320.412 2.298 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001123346587 782954193 /nfs/dbraw/zinc/95/41/93/782954193.db2.gz OHHFCWMWQJWJGD-NVXWUHKLSA-N 0 3 311.422 2.012 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(C)cccc2Cl)[C@@H](O)C1 ZINC001083751784 783038272 /nfs/dbraw/zinc/03/82/72/783038272.db2.gz NZJMGGDQNYXXMM-CABCVRRESA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)CN(C)C(C)C)CC1 ZINC001060688564 783046553 /nfs/dbraw/zinc/04/65/53/783046553.db2.gz CTIREMUPINTKGV-WKILWMFISA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccn3ccnc3c2)CC(C)(C)C1 ZINC001089438793 783108481 /nfs/dbraw/zinc/10/84/81/783108481.db2.gz LHRCPJRNBRHOKE-INIZCTEOSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nccc3cccnc32)C[C@@H]1C ZINC000947403876 783127385 /nfs/dbraw/zinc/12/73/85/783127385.db2.gz IBTUYAVRIVJDJO-DZGCQCFKSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2nc(C)sc2C)C[C@H]1C ZINC000947449620 783139658 /nfs/dbraw/zinc/13/96/58/783139658.db2.gz HHTVFEQOCOAFOA-IUODEOHRSA-N 0 3 319.474 2.295 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2occc2C)CC(C)(C)C1 ZINC001089485957 783152927 /nfs/dbraw/zinc/15/29/27/783152927.db2.gz RNBCTALHDNEZBU-HNNXBMFYSA-N 0 3 302.418 2.371 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ocnc2C2CC2)CC(C)(C)C1 ZINC001089491024 783157379 /nfs/dbraw/zinc/15/73/79/783157379.db2.gz INBADJLSJPMDJX-CQSZACIVSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)C[C@@H]1C ZINC000947546757 783169641 /nfs/dbraw/zinc/16/96/41/783169641.db2.gz KNRRRWZKWLTPQS-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c(F)cccc2F)C[C@H]1C ZINC000947652960 783198450 /nfs/dbraw/zinc/19/84/50/783198450.db2.gz GMFXZRYMEFTLFE-OLZOCXBDSA-N 0 3 306.356 2.110 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)C[C@H]1C ZINC000947676227 783202534 /nfs/dbraw/zinc/20/25/34/783202534.db2.gz TVOMLYJIYOEBGW-NVXWUHKLSA-N 0 3 323.440 2.323 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)onc2CC)CC(C)(C)C1 ZINC001089554551 783202532 /nfs/dbraw/zinc/20/25/32/783202532.db2.gz WNXDOOOHVKEJMA-CQSZACIVSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)nc2)CC(C)(C)C1 ZINC001089557906 783204110 /nfs/dbraw/zinc/20/41/10/783204110.db2.gz CNNCNIZNZHEJOW-QGZVFWFLSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)CC(C)(C)C1 ZINC001089570236 783217971 /nfs/dbraw/zinc/21/79/71/783217971.db2.gz LJPKUBAEDHKQJX-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC000947778873 783230253 /nfs/dbraw/zinc/23/02/53/783230253.db2.gz KQSAZPGJXQAANH-KGLIPLIRSA-N 0 3 323.396 2.156 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)[C@@H](O)C1 ZINC001090540407 790339984 /nfs/dbraw/zinc/33/99/84/790339984.db2.gz OVZJGQMATLJEMT-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)[C@H](O)C1 ZINC001090542000 790344139 /nfs/dbraw/zinc/34/41/39/790344139.db2.gz YYZANZWKIDPOBC-JKSUJKDBSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCCCCC2)[C@H](O)C1 ZINC001090599422 790387990 /nfs/dbraw/zinc/38/79/90/790387990.db2.gz FQBDEMRSLGQQRP-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)[C@H](O)C1 ZINC001090635005 790410198 /nfs/dbraw/zinc/41/01/98/790410198.db2.gz YSSSGGQHPRIJNI-BWRBCVJASA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)C1 ZINC001073059527 790424594 /nfs/dbraw/zinc/42/45/94/790424594.db2.gz JQKKJZVTEJILLK-CQSZACIVSA-N 0 3 312.413 2.344 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C3CCCC3)C2)C1 ZINC001073089107 790445614 /nfs/dbraw/zinc/44/56/14/790445614.db2.gz GHTKTMQBOGACSC-IAGOWNOFSA-N 0 3 300.446 2.370 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H](C)c3ccco3)[C@H]2C1 ZINC001083191234 776622108 /nfs/dbraw/zinc/62/21/08/776622108.db2.gz QEVPZZCSAQNYTO-HLLBOEOZSA-N 0 3 318.417 2.261 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn(CCCC)c3C)C2)C1 ZINC001073114815 790465260 /nfs/dbraw/zinc/46/52/60/790465260.db2.gz JBNKLYCIKYRPKD-UHFFFAOYSA-N 0 3 316.449 2.326 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001209168614 776674776 /nfs/dbraw/zinc/67/47/76/776674776.db2.gz GJOMGPAWGCYZBF-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCN1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001209266891 776684539 /nfs/dbraw/zinc/68/45/39/776684539.db2.gz FSNQGMVMDSVWPU-GBESFXJTSA-N 0 3 314.429 2.491 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1cn(CC)nn1 ZINC001171042815 790476717 /nfs/dbraw/zinc/47/67/17/790476717.db2.gz GTSXSWSBPRIREH-HNNXBMFYSA-N 0 3 321.469 2.419 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](O)C1 ZINC001090745980 790478742 /nfs/dbraw/zinc/47/87/42/790478742.db2.gz DFTOYIXLGVSOTF-LUKYLMHMSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCC)C1 ZINC001207062881 776949591 /nfs/dbraw/zinc/94/95/91/776949591.db2.gz HQXZXOKJCFSRGB-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC000971818464 777209341 /nfs/dbraw/zinc/20/93/41/777209341.db2.gz OKLOSIYQIDYWAU-SWLSCSKDSA-N 0 3 304.438 2.239 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC([C@H]2CCCN(CCF)CC2)CC1 ZINC001075448423 777331827 /nfs/dbraw/zinc/33/18/27/777331827.db2.gz XPVNPDBMEZPDQK-CABCVRRESA-N 0 3 309.429 2.456 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1[nH]cnc1C)CC2 ZINC001204591991 777360293 /nfs/dbraw/zinc/36/02/93/777360293.db2.gz UWYNCQAZSUZMFH-QGZVFWFLSA-N 0 3 302.422 2.251 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H](O)C1 ZINC001090791146 790544314 /nfs/dbraw/zinc/54/43/14/790544314.db2.gz QPGZUGLSOKDARQ-UONOGXRCSA-N 0 3 308.447 2.106 20 30 DEEDHN CCC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001075464213 777492686 /nfs/dbraw/zinc/49/26/86/777492686.db2.gz SFUZZCABILYOMY-DOTOQJQBSA-N 0 3 313.401 2.032 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccnc1 ZINC001087269841 777673909 /nfs/dbraw/zinc/67/39/09/777673909.db2.gz PPXAZMPUJNLVOU-IXDOHACOSA-N 0 3 311.429 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(F)nc3)C(C)(C)[C@@H]21 ZINC001087275845 777693505 /nfs/dbraw/zinc/69/35/05/777693505.db2.gz NLAQMOYMPNWGNA-FVQBIDKESA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cnc(C)s3)C(C)(C)[C@@H]21 ZINC001087276772 777694527 /nfs/dbraw/zinc/69/45/27/777694527.db2.gz DFSKIXZDMWJGFJ-BPLDGKMQSA-N 0 3 317.458 2.304 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(C)(C)[C@H]21 ZINC001087292999 777739127 /nfs/dbraw/zinc/73/91/27/777739127.db2.gz WANTXGIWXOPVTN-QRQLOZEOSA-N 0 3 310.441 2.468 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3csc(C)n3)C(C)(C)[C@H]21 ZINC001087300425 777750456 /nfs/dbraw/zinc/75/04/56/777750456.db2.gz KNYUVLFUNHTOCX-YUELXQCFSA-N 0 3 317.458 2.304 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ocnc3CC)C(C)(C)[C@H]21 ZINC001087304141 777756661 /nfs/dbraw/zinc/75/66/61/777756661.db2.gz XWBVOQIIGJIFJC-KCXAZCMYSA-N 0 3 315.417 2.089 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C)[nH]c1C ZINC001087305929 777759932 /nfs/dbraw/zinc/75/99/32/777759932.db2.gz AOJCJIFVZIQTBX-HYVNUMGLSA-N 0 3 313.445 2.484 20 30 DEEDHN C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)CN1CCCC1 ZINC001104583525 777950071 /nfs/dbraw/zinc/95/00/71/777950071.db2.gz XRUPAWAUQYXBAU-ZDUSSCGKSA-N 0 3 318.396 2.052 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccsc2)C1 ZINC001149129006 778108229 /nfs/dbraw/zinc/10/82/29/778108229.db2.gz FSKIOUSPMUZUNW-HNNXBMFYSA-N 0 3 308.447 2.074 20 30 DEEDHN CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 ZINC001104802985 778186723 /nfs/dbraw/zinc/18/67/23/778186723.db2.gz MYSXMCMKXBKTRJ-IAGOWNOFSA-N 0 3 322.497 2.096 20 30 DEEDHN C=CCCC(=O)N1CC(n2cc(CNCCCCCC)nn2)C1 ZINC001105185380 778383085 /nfs/dbraw/zinc/38/30/85/778383085.db2.gz LBKKKDMKKYSZDI-UHFFFAOYSA-N 0 3 319.453 2.298 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1cc(C)ccc1OC ZINC001125951345 778458953 /nfs/dbraw/zinc/45/89/53/778458953.db2.gz MEFNAOYYYIWEAE-UHFFFAOYSA-N 0 3 302.418 2.403 20 30 DEEDHN C#Cc1ccc(C(=O)Nc2cc(CN(C)C)ccc2OC)cn1 ZINC000728811060 778485093 /nfs/dbraw/zinc/48/50/93/778485093.db2.gz HAQFFILOJQSOAF-UHFFFAOYSA-N 0 3 309.369 2.385 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001073411569 790643823 /nfs/dbraw/zinc/64/38/23/790643823.db2.gz NQLNZWWDQZBDJF-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN CCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1 ZINC001075616659 778751721 /nfs/dbraw/zinc/75/17/21/778751721.db2.gz ZUWSLUGAGHUVMR-JCGIZDLHSA-N 0 3 311.429 2.441 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cccc4cnccc43)C2)C1 ZINC001073429830 790651010 /nfs/dbraw/zinc/65/10/10/790651010.db2.gz XCKLMLFSKVBMPC-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)c2ccncc2)C1 ZINC000983006289 778990157 /nfs/dbraw/zinc/99/01/57/778990157.db2.gz IVGCLQKSLYCRAH-PPUGGXLSSA-N 0 3 320.396 2.251 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(C)COC)C[C@H]1C(F)(F)F ZINC001112137853 779063483 /nfs/dbraw/zinc/06/34/83/779063483.db2.gz HUKGHTDGGNDVQN-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3c(C)noc3Cl)C2)C1 ZINC001073475980 790677216 /nfs/dbraw/zinc/67/72/16/790677216.db2.gz OGLXTSQTYABYRT-UHFFFAOYSA-N 0 3 323.824 2.289 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3Oc4ccccc4[C@@H]3C)C2)C1 ZINC001073488928 790688394 /nfs/dbraw/zinc/68/83/94/790688394.db2.gz LBRVIPFVVDAEAJ-YOEHRIQHSA-N 0 3 312.413 2.271 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC(C)C)cn3)C2)C1 ZINC001073495832 790691531 /nfs/dbraw/zinc/69/15/31/790691531.db2.gz VPILJGYMEGVBHF-UHFFFAOYSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](OC)C3CCCCC3)C2)C1 ZINC001073501351 790697923 /nfs/dbraw/zinc/69/79/23/790697923.db2.gz GPZZKCPTSKKICD-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnn2C2CCC2)[C@H]1CC ZINC001087574895 779360069 /nfs/dbraw/zinc/36/00/69/779360069.db2.gz CXDNMOYSAFUZAQ-LSDHHAIUSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c2OCCO3)[C@H]1CC ZINC001087593232 779368498 /nfs/dbraw/zinc/36/84/98/779368498.db2.gz WSLCTTOITNDFRD-LSDHHAIUSA-N 0 3 316.401 2.227 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)[C@H]1CC ZINC001087623751 779382208 /nfs/dbraw/zinc/38/22/08/779382208.db2.gz VAOZZMUJPYAPCS-IJEWVQPXSA-N 0 3 316.449 2.234 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3ccccn23)[C@H]1CC ZINC001087632342 779386257 /nfs/dbraw/zinc/38/62/57/779386257.db2.gz XDCKEKOWOJQXGK-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c[nH]c3cnccc23)[C@H]1CC ZINC001087700224 779414106 /nfs/dbraw/zinc/41/41/06/779414106.db2.gz FRGYJQAWKHDOIP-DOTOQJQBSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)nc(C)n2)[C@H]1CC ZINC001087761056 779440520 /nfs/dbraw/zinc/44/05/20/779440520.db2.gz XHIAOALQWCNGGK-GOEBONIOSA-N 0 3 302.422 2.252 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1CC ZINC001087823168 779468506 /nfs/dbraw/zinc/46/85/06/779468506.db2.gz GVVCJRNNCHHBMG-DLBZAZTESA-N 0 3 301.434 2.248 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC001087911480 779536544 /nfs/dbraw/zinc/53/65/44/779536544.db2.gz XACRXULSMCIVPL-BMFZPTHFSA-N 0 3 315.392 2.266 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112173822 779637840 /nfs/dbraw/zinc/63/78/40/779637840.db2.gz PZNYCIOSGXREGY-YNEHKIRRSA-N 0 3 304.356 2.281 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cccnc3C3CC3)C[C@@H]2C1 ZINC001088026788 779643244 /nfs/dbraw/zinc/64/32/44/779643244.db2.gz DBXBFHMIMYDBAV-SJORKVTESA-N 0 3 323.440 2.376 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc(C(C)C)n3)C[C@@H]2C1 ZINC001088029145 779643961 /nfs/dbraw/zinc/64/39/61/779643961.db2.gz YOIKOSNCTDGIMH-CVEARBPZSA-N 0 3 311.429 2.232 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)C[C@@H]2C1 ZINC001088029099 779644334 /nfs/dbraw/zinc/64/43/34/779644334.db2.gz WPTVDMFHCHSZPW-MSOLQXFVSA-N 0 3 323.440 2.376 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@@H]2C1 ZINC001088050856 779655867 /nfs/dbraw/zinc/65/58/67/779655867.db2.gz YLBKZDGAKGDGCE-FLXSYLCISA-N 0 3 300.446 2.226 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@@H]2C1 ZINC001088047335 779656004 /nfs/dbraw/zinc/65/60/04/779656004.db2.gz SHOCGFKWRXMLMA-OWSLCNJRSA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCc3cccc(C)c3)C[C@@H]2C1 ZINC001088056769 779663004 /nfs/dbraw/zinc/66/30/04/779663004.db2.gz QBSMUNCKAXECNZ-MOPGFXCFSA-N 0 3 310.441 2.341 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccsc3)C[C@@H]2C1 ZINC001088103953 779704062 /nfs/dbraw/zinc/70/40/62/779704062.db2.gz OCZKEDVZBYCKPS-LZWOXQAQSA-N 0 3 302.443 2.265 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3Cl)C[C@@H]2C1 ZINC001088192298 779766671 /nfs/dbraw/zinc/76/66/71/779766671.db2.gz UWLBLBMUINPECK-CVEARBPZSA-N 0 3 316.832 2.296 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(C)cccc3F)C[C@@H]2C1 ZINC001088221723 779780281 /nfs/dbraw/zinc/78/02/81/779780281.db2.gz SWIFODANMNJGPS-CABCVRRESA-N 0 3 300.377 2.161 20 30 DEEDHN N#Cc1cncc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001144085720 790741536 /nfs/dbraw/zinc/74/15/36/790741536.db2.gz CKNZOZWSVRIUGM-IRXDYDNUSA-N 0 3 302.397 2.352 20 30 DEEDHN CCc1[nH]ccc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001126613718 779868085 /nfs/dbraw/zinc/86/80/85/779868085.db2.gz IPVWWSKAUQQLQX-UHFFFAOYSA-N 0 3 302.403 2.030 20 30 DEEDHN Cc1nocc1CN[C@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088281400 779902886 /nfs/dbraw/zinc/90/28/86/779902886.db2.gz MGTAPXYGCGWQPQ-WFASDCNBSA-N 0 3 304.394 2.004 20 30 DEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3scnc3CC)[C@@H]2C1 ZINC001075861155 779905547 /nfs/dbraw/zinc/90/55/47/779905547.db2.gz NLFKGEZGETZBAK-GXTWGEPZSA-N 0 3 305.447 2.428 20 30 DEEDHN CC(C)(C(=O)N1CCCCC[C@@H](NCC#N)C1)N1CCCCC1 ZINC001088315104 779938964 /nfs/dbraw/zinc/93/89/64/779938964.db2.gz OHXNWXKNIKHTOD-MRXNPFEDSA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001073657720 790770081 /nfs/dbraw/zinc/77/00/81/790770081.db2.gz MONREGBTWMXLGL-CQSZACIVSA-N 0 3 323.462 2.157 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)SC)[C@H](OC)C1 ZINC001211911340 780326241 /nfs/dbraw/zinc/32/62/41/780326241.db2.gz FILGYWNAXBBEPF-RBSFLKMASA-N 0 3 314.495 2.300 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc(OC(C)C)cn2)[C@H]1C ZINC001088567014 780491969 /nfs/dbraw/zinc/49/19/69/780491969.db2.gz QOVODGNNDUAXBO-KGLIPLIRSA-N 0 3 318.421 2.033 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)[C@H]1C ZINC001088567844 780495135 /nfs/dbraw/zinc/49/51/35/780495135.db2.gz IAHCENDWTQOLKF-DYEKYZERSA-N 0 3 322.840 2.161 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)[C@H]1C ZINC001088713865 780898645 /nfs/dbraw/zinc/89/86/45/780898645.db2.gz NXXJOZDGFLZAHO-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)[C@H]1C ZINC001088745535 780926629 /nfs/dbraw/zinc/92/66/29/780926629.db2.gz HAVVFLJPILOLAE-HIFRSBDPSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc4ccccn34)[C@@H]2C1 ZINC001075970880 780942643 /nfs/dbraw/zinc/94/26/43/780942643.db2.gz OLSWUOLFCCYJMF-GOEBONIOSA-N 0 3 310.401 2.057 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(C3CCC3)c2)C1 ZINC001091028040 790838737 /nfs/dbraw/zinc/83/87/37/790838737.db2.gz SGRVSWQRUMSCMT-UHFFFAOYSA-N 0 3 322.840 2.459 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001073746325 790839104 /nfs/dbraw/zinc/83/91/04/790839104.db2.gz VATIQWVDJOIFDO-QGZVFWFLSA-N 0 3 314.429 2.093 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@H]1C ZINC001088777186 780974656 /nfs/dbraw/zinc/97/46/56/780974656.db2.gz KQTZCTHYMFRBIN-PBHICJAKSA-N 0 3 310.401 2.251 20 30 DEEDHN C#C[C@@H]1CCCN(Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C1 ZINC001144283173 790841399 /nfs/dbraw/zinc/84/13/99/790841399.db2.gz PUTGIZQARSLRQM-OAHLLOKOSA-N 0 3 315.369 2.382 20 30 DEEDHN O=C(C#CC1CC1)NCCNCc1cccc(C(F)(F)F)c1 ZINC001126885533 781030170 /nfs/dbraw/zinc/03/01/70/781030170.db2.gz ILGMATLYLFBHKG-UHFFFAOYSA-N 0 3 310.319 2.325 20 30 DEEDHN CN(C)c1ccccc1CNCCNC(=O)C#CC(C)(C)C ZINC001126893551 781043187 /nfs/dbraw/zinc/04/31/87/781043187.db2.gz RPRGCSQGAKSMKR-UHFFFAOYSA-N 0 3 301.434 2.008 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)[C@@H]2C1 ZINC001076364685 781234452 /nfs/dbraw/zinc/23/44/52/781234452.db2.gz NPHZWDDZVLMZBO-FUHWJXTLSA-N 0 3 322.412 2.205 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001076529050 781297924 /nfs/dbraw/zinc/29/79/24/781297924.db2.gz XODMMFGMXFYIMI-GOEBONIOSA-N 0 3 310.401 2.057 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001076559158 781312826 /nfs/dbraw/zinc/31/28/26/781312826.db2.gz BGHOLTRICTWROX-RBUKOAKNSA-N 0 3 310.441 2.437 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001076796727 781387894 /nfs/dbraw/zinc/38/78/94/781387894.db2.gz BTZWQNDKWPMODE-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001076929436 781427225 /nfs/dbraw/zinc/42/72/25/781427225.db2.gz HZKAFPARGXNSFA-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001073811953 790895688 /nfs/dbraw/zinc/89/56/88/790895688.db2.gz QCGWUDYAPPIHSN-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(C)c2CCC)C1 ZINC001091117460 790914483 /nfs/dbraw/zinc/91/44/83/790914483.db2.gz JWMVCWRNQZUKEU-UHFFFAOYSA-N 0 3 324.856 2.223 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccccc2OC)C1 ZINC001073866721 790924318 /nfs/dbraw/zinc/92/43/18/790924318.db2.gz COZKIUJEEHDVKS-OAHLLOKOSA-N 0 3 318.417 2.092 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C[C@H]1C ZINC000947797161 783234037 /nfs/dbraw/zinc/23/40/37/783234037.db2.gz YUGIQMBFECJYHH-RDTXWAMCSA-N 0 3 322.412 2.293 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)COC3)C[C@@H]1C ZINC000947797049 783234509 /nfs/dbraw/zinc/23/45/09/783234509.db2.gz WUSSHTAIPLUHKZ-SUMWQHHRSA-N 0 3 300.402 2.486 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c2ccn3C)C[C@H]1C ZINC000947815669 783236815 /nfs/dbraw/zinc/23/68/15/783236815.db2.gz VYSJCWDOMLCREQ-CABCVRRESA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2F)C[C@@H]1C ZINC000947845339 783245870 /nfs/dbraw/zinc/24/58/70/783245870.db2.gz IQRPSVUYJURIQM-UONOGXRCSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C[C@H]1C ZINC000947899055 783261299 /nfs/dbraw/zinc/26/12/99/783261299.db2.gz DIDRVFHKYMKDCT-RHSMWYFYSA-N 0 3 309.413 2.394 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CC=C)[C@@H](C)C1 ZINC000947903418 783263556 /nfs/dbraw/zinc/26/35/56/783263556.db2.gz ILWDREKIZUJETH-LSDHHAIUSA-N 0 3 315.417 2.415 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCC3CCCCC3)C[C@@H]2O)C1 ZINC001083762290 783263861 /nfs/dbraw/zinc/26/38/61/783263861.db2.gz GNOUHDAEWVQPCU-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(COC)cc2)C[C@@H]1C ZINC000948027395 783296811 /nfs/dbraw/zinc/29/68/11/783296811.db2.gz WROANJYNWYZEBK-WMLDXEAASA-N 0 3 300.402 2.049 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnn1CC ZINC001089631260 783300482 /nfs/dbraw/zinc/30/04/82/783300482.db2.gz JLVIEWRIQPGBIK-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@@H]1C ZINC000948073385 783310400 /nfs/dbraw/zinc/31/04/00/783310400.db2.gz KATPOFXIDLCUAU-FKZADTEYSA-N 0 3 300.446 2.271 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)nsc2C)C[C@@H]1C ZINC000948079182 783313734 /nfs/dbraw/zinc/31/37/34/783313734.db2.gz UVQLPCIWUIIQBS-FZMZJTMJSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2cncn2c1 ZINC001089671271 783341870 /nfs/dbraw/zinc/34/18/70/783341870.db2.gz NBGVAKKPXLMJLC-KRWDZBQOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(C#C)c1 ZINC001089693451 783359637 /nfs/dbraw/zinc/35/96/37/783359637.db2.gz KUDFKJFYWSWZAX-SFHVURJKSA-N 0 3 323.440 2.307 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001089711465 783372066 /nfs/dbraw/zinc/37/20/66/783372066.db2.gz VDGFIFGAYAXTTE-OAHLLOKOSA-N 0 3 316.449 2.270 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cccnn1 ZINC001089713908 783376387 /nfs/dbraw/zinc/37/63/87/783376387.db2.gz COKZWJHLYWXRIP-AWEZNQCLSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H](C)n2cccc2)CC1 ZINC000948309565 783421165 /nfs/dbraw/zinc/42/11/65/783421165.db2.gz RNHOSLUHWXGOSU-DLBZAZTESA-N 0 3 301.434 2.385 20 30 DEEDHN C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089776869 783425835 /nfs/dbraw/zinc/42/58/35/783425835.db2.gz HTOCRALCXRJOCY-LLLHUVSDSA-N 0 3 312.413 2.361 20 30 DEEDHN C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089776869 783425839 /nfs/dbraw/zinc/42/58/39/783425839.db2.gz HTOCRALCXRJOCY-LLLHUVSDSA-N 0 3 312.413 2.361 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnc3ccccc3n2)CC1 ZINC000948439259 783466766 /nfs/dbraw/zinc/46/67/66/783466766.db2.gz LGGLJEVHXRMJBL-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000948460919 783475064 /nfs/dbraw/zinc/47/50/64/783475064.db2.gz SIHUVVAERYICJS-INIZCTEOSA-N 0 3 310.401 2.074 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000948612527 783528753 /nfs/dbraw/zinc/52/87/53/783528753.db2.gz OYRMHXXYMMXXDS-QGZVFWFLSA-N 0 3 324.428 2.052 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnc3ccc(C)cn32)CC1 ZINC000948612806 783529268 /nfs/dbraw/zinc/52/92/68/783529268.db2.gz RJGOERBJRROCEL-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)CC1 ZINC001066193679 783563886 /nfs/dbraw/zinc/56/38/86/783563886.db2.gz INJPJCIXQDJSJR-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC000966200458 783600171 /nfs/dbraw/zinc/60/01/71/783600171.db2.gz UBGORRAKNXXNMC-ZIAGYGMSSA-N 0 3 316.449 2.171 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccco3)C2)cc1F ZINC000966263357 783612477 /nfs/dbraw/zinc/61/24/77/783612477.db2.gz BXLOONXBYBMAGG-CQSZACIVSA-N 0 3 313.332 2.295 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC000966360105 783642643 /nfs/dbraw/zinc/64/26/43/783642643.db2.gz VQMHSXLRJNEWEH-JSGCOSHPSA-N 0 3 322.840 2.020 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722315 783740903 /nfs/dbraw/zinc/74/09/03/783740903.db2.gz LOLJEGOVFMBTJV-WBMJQRKESA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC000966917618 783821009 /nfs/dbraw/zinc/82/10/09/783821009.db2.gz VCDSQYGQSQXACU-MLGOLLRUSA-N 0 3 319.474 2.152 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2coc(OCC)n2)C1 ZINC000967257411 783912712 /nfs/dbraw/zinc/91/27/12/783912712.db2.gz MSFWOTRUZLVFLL-STQMWFEESA-N 0 3 307.394 2.090 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2n1CCCCC2 ZINC001085667314 783948349 /nfs/dbraw/zinc/94/83/49/783948349.db2.gz FOLZNUYFKFZUGK-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085673590 783956163 /nfs/dbraw/zinc/95/61/63/783956163.db2.gz AHQDILIFPBYZTL-CYBMUJFWSA-N 0 3 309.360 2.472 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967333156 783956624 /nfs/dbraw/zinc/95/66/24/783956624.db2.gz GIBUREBTKWTEIN-WBVHZDCISA-N 0 3 309.413 2.403 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1CC ZINC001085679426 783958618 /nfs/dbraw/zinc/95/86/18/783958618.db2.gz IUXZCISUXGYQSH-OAHLLOKOSA-N 0 3 316.449 2.460 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncn2ccc(C)cc12 ZINC001085683882 783973565 /nfs/dbraw/zinc/97/35/65/783973565.db2.gz CLARVRQVELXSGZ-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC000967423898 783994815 /nfs/dbraw/zinc/99/48/15/783994815.db2.gz LOKWOKBCJPQRCN-WBVHZDCISA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC000967628468 784075236 /nfs/dbraw/zinc/07/52/36/784075236.db2.gz PJDKBAVAYIAORP-RDTXWAMCSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccnc1OC ZINC001085796186 784089875 /nfs/dbraw/zinc/08/98/75/784089875.db2.gz LUIOKOHDWYTULW-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085859908 784155494 /nfs/dbraw/zinc/15/54/94/784155494.db2.gz LPQRNQBEEYHVMO-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)nn1C ZINC001085889285 784180129 /nfs/dbraw/zinc/18/01/29/784180129.db2.gz VYTVJKMEYUPSSI-OAHLLOKOSA-N 0 3 304.438 2.095 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000967942710 784181874 /nfs/dbraw/zinc/18/18/74/784181874.db2.gz DZXSUFCYGOPVBX-CMPLNLGQSA-N 0 3 309.772 2.329 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001066341594 784221294 /nfs/dbraw/zinc/22/12/94/784221294.db2.gz WJEIHDOZZVWAQO-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001085929214 784225712 /nfs/dbraw/zinc/22/57/12/784225712.db2.gz RKZLCNBGDPDMHB-YJBOKZPZSA-N 0 3 314.429 2.407 20 30 DEEDHN C#CCOc1ncccc1C(=O)N(C)C[C@H]1CCN1CCCC ZINC001085932635 784229929 /nfs/dbraw/zinc/22/99/29/784229929.db2.gz DNHFAMDPDXILQT-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)c(OC)c1 ZINC001085955462 784251984 /nfs/dbraw/zinc/25/19/84/784251984.db2.gz AXPSHTRGTZFWOD-HNNXBMFYSA-N 0 3 318.417 2.426 20 30 DEEDHN CN(C[C@H]1CCCCO1)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001074012627 791011018 /nfs/dbraw/zinc/01/10/18/791011018.db2.gz FCRXMCNYXBAKCU-QZTJIDSGSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cncnc1C(C)C ZINC001085976000 784274952 /nfs/dbraw/zinc/27/49/52/784274952.db2.gz LFDMQLNLOSVHLN-AWEZNQCLSA-N 0 3 302.422 2.322 20 30 DEEDHN C[C@H](C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1)C1CC1 ZINC000968330335 784292875 /nfs/dbraw/zinc/29/28/75/784292875.db2.gz XNRMKVSBOSDYEH-WCQYABFASA-N 0 3 303.431 2.356 20 30 DEEDHN C[C@H](C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC000968329724 784293365 /nfs/dbraw/zinc/29/33/65/784293365.db2.gz MLUUXFPURSWWFQ-BLLLJJGKSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC000968346538 784307242 /nfs/dbraw/zinc/30/72/42/784307242.db2.gz WLTMKNMBNYHRCB-MAUKXSAKSA-N 0 3 313.445 2.036 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000968354062 784316146 /nfs/dbraw/zinc/31/61/46/784316146.db2.gz MNFCVUZSWDBLRL-BEFAXECRSA-N 0 3 310.441 2.251 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CN(CC)CC[C@H]2C)cc1 ZINC000968390064 784350823 /nfs/dbraw/zinc/35/08/23/784350823.db2.gz FBQKJXLOWBKXLL-PBHICJAKSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3nccnc32)C1 ZINC000968471780 784405417 /nfs/dbraw/zinc/40/54/17/784405417.db2.gz KUWRQYMMHYIIRJ-YOEHRIQHSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(F)cncc2F)C1 ZINC001086097702 784407021 /nfs/dbraw/zinc/40/70/21/784407021.db2.gz RLYKCSVVEFRLJM-AOOOYVTPSA-N 0 3 315.751 2.210 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001086098822 784407827 /nfs/dbraw/zinc/40/78/27/784407827.db2.gz YQHQINUBIXIZTC-RFQIPJPRSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001086198306 784481206 /nfs/dbraw/zinc/48/12/06/784481206.db2.gz PLVVEFFNWCZFQO-DUVNUKRYSA-N 0 3 319.836 2.033 20 30 DEEDHN C[C@H](N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1ccccc1F ZINC000968617921 784503160 /nfs/dbraw/zinc/50/31/60/784503160.db2.gz PQBYUQLUWFGLAG-DZGCQCFKSA-N 0 3 300.377 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001086262083 784530923 /nfs/dbraw/zinc/53/09/23/784530923.db2.gz HLQWOOLRZKIKQG-AEGPPILISA-N 0 3 319.836 2.033 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cn(C)nc2C2CC2)C1 ZINC001086377868 784632751 /nfs/dbraw/zinc/63/27/51/784632751.db2.gz JWLUNSPQKUQQDJ-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn(CC(C)C)n2)C1 ZINC001086377870 784632841 /nfs/dbraw/zinc/63/28/41/784632841.db2.gz KCXBNLDHKIOQIB-HDJSIYSDSA-N 0 3 324.856 2.390 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC000968879862 784633810 /nfs/dbraw/zinc/63/38/10/784633810.db2.gz PCHKPZVRLFIKPC-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001155725662 784677958 /nfs/dbraw/zinc/67/79/58/784677958.db2.gz ZIPFXDLIZFZZJB-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1nnn(CC)c1CC ZINC000969019659 784693040 /nfs/dbraw/zinc/69/30/40/784693040.db2.gz FMJDXZBRJVZKDU-AWEZNQCLSA-N 0 3 319.453 2.021 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC000969046123 784704300 /nfs/dbraw/zinc/70/43/00/784704300.db2.gz AQCXAIMMFGFJMR-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC000969052958 784705447 /nfs/dbraw/zinc/70/54/47/784705447.db2.gz BKNULMNZWJTPRF-INIZCTEOSA-N 0 3 304.438 2.454 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC000969059127 784708151 /nfs/dbraw/zinc/70/81/51/784708151.db2.gz GNDMNOJKVVHTMC-OAHLLOKOSA-N 0 3 304.438 2.454 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCNCc1ccccc1Br ZINC001155854791 784747435 /nfs/dbraw/zinc/74/74/35/784747435.db2.gz OLNJFGJLKSHKFZ-NSHDSACASA-N 0 3 324.222 2.205 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(CCC)nc1C ZINC001156000109 784805635 /nfs/dbraw/zinc/80/56/35/784805635.db2.gz KMGXIZWCHOQZLJ-CQSZACIVSA-N 0 3 304.438 2.065 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(CCO)C[C@@H](F)CC)CC1 ZINC001098448482 784813692 /nfs/dbraw/zinc/81/36/92/784813692.db2.gz CFGWDHHNGLFEHG-AWEZNQCLSA-N 0 3 314.445 2.232 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108294472 784841789 /nfs/dbraw/zinc/84/17/89/784841789.db2.gz DGBRENFNBRONJX-QAPCUYQASA-N 0 3 320.433 2.384 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001007338054 784892897 /nfs/dbraw/zinc/89/28/97/784892897.db2.gz PPVZUZGLWJVJHF-CQSZACIVSA-N 0 3 318.421 2.034 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001007496228 784935897 /nfs/dbraw/zinc/93/58/97/784935897.db2.gz PJZDRBNBBIKCAM-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001007526436 784944027 /nfs/dbraw/zinc/94/40/27/784944027.db2.gz ANQNDYMRFCJIFA-INIZCTEOSA-N 0 3 324.428 2.169 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108412145 784965903 /nfs/dbraw/zinc/96/59/03/784965903.db2.gz BFEPUNWQVGHAKV-CRAIPNDOSA-N 0 3 319.449 2.119 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001007901005 785041969 /nfs/dbraw/zinc/04/19/69/785041969.db2.gz IGMNXMUPQAXQCT-HNNXBMFYSA-N 0 3 310.401 2.089 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccnc(OC2CCC2)c1 ZINC001169594243 785253566 /nfs/dbraw/zinc/25/35/66/785253566.db2.gz LWPVGSXYBGVCDS-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001008740043 785291927 /nfs/dbraw/zinc/29/19/27/785291927.db2.gz XCXRXAQBIZEHQI-AWEZNQCLSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1nnc(C)n1CC ZINC001169706670 785317871 /nfs/dbraw/zinc/31/78/71/785317871.db2.gz VRJQQFKLYKFWOV-CQSZACIVSA-N 0 3 321.469 2.337 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C1CCC(S(C)(=O)=O)CC1 ZINC001169894090 785409168 /nfs/dbraw/zinc/40/91/68/785409168.db2.gz QEIYACNXSNEVKX-UHFFFAOYSA-N 0 3 306.431 2.346 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc(OCC)c2)C1 ZINC001009647726 785498997 /nfs/dbraw/zinc/49/89/97/785498997.db2.gz CILVJCRMKNPYHW-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)onc2CC)C1 ZINC001091359386 791120570 /nfs/dbraw/zinc/12/05/70/791120570.db2.gz BCHHULANOXKNNG-UHFFFAOYSA-N 0 3 311.813 2.396 20 30 DEEDHN C=C(C)CN1CC[C@H](Oc2ccnc(CNC(=O)C3CC3)c2)C1 ZINC001091397988 791134409 /nfs/dbraw/zinc/13/44/09/791134409.db2.gz BJPMRNZSDQMGKO-KRWDZBQOSA-N 0 3 315.417 2.137 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001109171103 785731880 /nfs/dbraw/zinc/73/18/80/785731880.db2.gz DKFNPCSPOBDRPM-IKGGRYGDSA-N 0 3 306.450 2.327 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CC(C)(C)CO1 ZINC001109208966 785756649 /nfs/dbraw/zinc/75/66/49/785756649.db2.gz IKYPHVBCIIHSFR-QZWWFDLISA-N 0 3 318.461 2.327 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001109260812 785787094 /nfs/dbraw/zinc/78/70/94/785787094.db2.gz NXCRCGFAIAUETQ-QZWWFDLISA-N 0 3 318.461 2.327 20 30 DEEDHN C[C@@]12CN(Cc3cccc(C#N)c3)C[C@@H]1CN(C(=O)C(F)F)C2 ZINC001091412214 791149610 /nfs/dbraw/zinc/14/96/10/791149610.db2.gz UAZAWYRMYKXYNK-PBHICJAKSA-N 0 3 319.355 2.104 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1ccncc1)C2 ZINC001109445390 785879756 /nfs/dbraw/zinc/87/97/56/785879756.db2.gz ZKCYYNDWLATBJX-RANZSIQMSA-N 0 3 311.429 2.320 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCCC1)C2 ZINC001109570100 785934636 /nfs/dbraw/zinc/93/46/36/785934636.db2.gz VGGIRNGWNQRUPZ-OWSLCNJRSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1ccc(C)n1)C2 ZINC001109594963 785949123 /nfs/dbraw/zinc/94/91/23/785949123.db2.gz KBHRKPGYUNAFQC-YVSFHVDLSA-N 0 3 316.449 2.440 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(C)c1 ZINC001109657127 785977270 /nfs/dbraw/zinc/97/72/70/785977270.db2.gz AGWUIWOHFDRRGI-IKGGRYGDSA-N 0 3 316.449 2.040 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)C2 ZINC001109936285 786104923 /nfs/dbraw/zinc/10/49/23/786104923.db2.gz QKSCZARZRMZLPS-VOAKCMCISA-N 0 3 320.355 2.251 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOC)CCC1)C2 ZINC001110037591 786134517 /nfs/dbraw/zinc/13/45/17/786134517.db2.gz RSVSKODRSHAVNT-PMPSAXMXSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001113343763 786536071 /nfs/dbraw/zinc/53/60/71/786536071.db2.gz CEMKSAOPGHGQKJ-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2ccnc(OC)c2)CC1 ZINC001113348501 786540504 /nfs/dbraw/zinc/54/05/04/786540504.db2.gz QDWXYDMBLGTMRR-OAHLLOKOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001113417729 786581920 /nfs/dbraw/zinc/58/19/20/786581920.db2.gz RTVANXHDYLUIPZ-HUUCEWRRSA-N 0 3 304.438 2.087 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC001113505501 786647393 /nfs/dbraw/zinc/64/73/93/786647393.db2.gz DDSZHSHVZPDFQC-HOTGVXAUSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCCN1CCN(C(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC001113529601 786663502 /nfs/dbraw/zinc/66/35/02/786663502.db2.gz XEYPHQYNSBCJSI-SFHVURJKSA-N 0 3 315.461 2.400 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001014890357 786793173 /nfs/dbraw/zinc/79/31/73/786793173.db2.gz LAGNBKDSOGRLQO-DLBZAZTESA-N 0 3 313.445 2.280 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CCCF)C2)cc1 ZINC001014970458 786834516 /nfs/dbraw/zinc/83/45/16/786834516.db2.gz AVYSCBTYXLHJMU-HNNXBMFYSA-N 0 3 306.381 2.415 20 30 DEEDHN N#CC1(c2ccccc2)CCC(N[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001170358998 786920193 /nfs/dbraw/zinc/92/01/93/786920193.db2.gz LAPXLIGLDVLIRN-AQFXKWCLSA-N 0 3 316.426 2.291 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114034011 787062159 /nfs/dbraw/zinc/06/21/59/787062159.db2.gz DODAIURHSAWEMO-BWUSGFMJSA-N 0 3 318.392 2.136 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001114252782 787185930 /nfs/dbraw/zinc/18/59/30/787185930.db2.gz CEYJEZZIZNCCOV-DZFIZOCASA-N 0 3 312.388 2.116 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001015693465 787187084 /nfs/dbraw/zinc/18/70/84/787187084.db2.gz YUIWBKJDMOWJGW-INIZCTEOSA-N 0 3 302.393 2.317 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C=C2CCC2)C1 ZINC001130386986 787373982 /nfs/dbraw/zinc/37/39/82/787373982.db2.gz XWZZBKWEYVYFRX-AWEZNQCLSA-N 0 3 300.406 2.112 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(CF)CCC2)C1 ZINC001130427757 787388282 /nfs/dbraw/zinc/38/82/82/787388282.db2.gz RCEBKTWCBVKTOE-CYBMUJFWSA-N 0 3 320.412 2.141 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC001130521833 787420100 /nfs/dbraw/zinc/42/01/00/787420100.db2.gz SPVKBVKEJGGUKT-NILFDRSVSA-N 0 3 303.431 2.262 20 30 DEEDHN Cc1cc(C)nc(C(=O)NCCNCc2ccc(C#N)s2)c1 ZINC001130666142 787452657 /nfs/dbraw/zinc/45/26/57/787452657.db2.gz HHVOJIWKNCRGMD-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130695381 787458970 /nfs/dbraw/zinc/45/89/70/787458970.db2.gz PPNDIHYOKUAUSQ-GOEBONIOSA-N 0 3 318.465 2.316 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc3cnccc3o2)c1 ZINC001130860376 787486947 /nfs/dbraw/zinc/48/69/47/787486947.db2.gz BHFCYRXAFYRDTE-UHFFFAOYSA-N 0 3 320.352 2.219 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OC)c1C)C2 ZINC001096071995 787490053 /nfs/dbraw/zinc/49/00/53/787490053.db2.gz WVBNBJZTFUVRLG-PVAVHDDUSA-N 0 3 312.413 2.362 20 30 DEEDHN COCc1cccc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001130947543 787509851 /nfs/dbraw/zinc/50/98/51/787509851.db2.gz XOFVFHYFHNKIIX-UHFFFAOYSA-N 0 3 323.396 2.224 20 30 DEEDHN CN1CC2(C1)CCN(Cc1ccc(C#N)cc1Br)C2 ZINC001137639230 787533939 /nfs/dbraw/zinc/53/39/39/787533939.db2.gz SSPJUJDGAOMZBJ-UHFFFAOYSA-N 0 3 320.234 2.458 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nccs1)C2 ZINC001111425970 787578259 /nfs/dbraw/zinc/57/82/59/787578259.db2.gz CHXQSTSQLHSREF-MCIONIFRSA-N 0 3 305.447 2.373 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCN3C)C2 ZINC001096294633 787603620 /nfs/dbraw/zinc/60/36/20/787603620.db2.gz IZQNBYNNHNZCNJ-AOIWGVFYSA-N 0 3 323.440 2.037 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCNCc2cccc(C#N)c2)c(C)n1 ZINC001131560696 787650068 /nfs/dbraw/zinc/65/00/68/787650068.db2.gz ZYWCCQHQRQNICB-UHFFFAOYSA-N 0 3 322.412 2.398 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)COCCCC)C[C@H](C)O2 ZINC001131642890 787670816 /nfs/dbraw/zinc/67/08/16/787670816.db2.gz XQJOAAWWCPLKJR-WMZOPIPTSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC)cc1)C2 ZINC001096465769 787680119 /nfs/dbraw/zinc/68/01/19/787680119.db2.gz PIWJGJZDMZHZEH-NJAFHUGGSA-N 0 3 312.413 2.444 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1F)C2 ZINC001096468010 787683103 /nfs/dbraw/zinc/68/31/03/787683103.db2.gz QGAWYSKLSSQWRY-KCXAZCMYSA-N 0 3 304.340 2.323 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2ccsc2)CC[C@H]1C ZINC001131762000 787731114 /nfs/dbraw/zinc/73/11/14/787731114.db2.gz WRMUPPVKPRVSIR-GDBMZVCRSA-N 0 3 322.474 2.462 20 30 DEEDHN C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1CCCCCF ZINC001131828971 787763262 /nfs/dbraw/zinc/76/32/62/787763262.db2.gz BFRLZUSXDOCKCO-KGLIPLIRSA-N 0 3 315.458 2.352 20 30 DEEDHN CC(C)c1cc(C(=O)NCCNCc2ccc(C#N)cc2)no1 ZINC001131986549 787864521 /nfs/dbraw/zinc/86/45/21/787864521.db2.gz YUTYDNSVDLWMHF-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCOCC)C2)CCC1 ZINC001132101366 787927649 /nfs/dbraw/zinc/92/76/49/787927649.db2.gz KHJDJOKODYFCAS-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2cc(C)on2)CC[C@H]1C ZINC001132123731 787938157 /nfs/dbraw/zinc/93/81/57/787938157.db2.gz IPYABFSUIABYGK-UKRRQHHQSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2ccccc2)CC[C@@H]1C ZINC001132134950 787941518 /nfs/dbraw/zinc/94/15/18/787941518.db2.gz APCZCZORHWDMFO-FUHWJXTLSA-N 0 3 316.445 2.401 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2ncc(C)o2)CC[C@H]1C ZINC001132164721 787954390 /nfs/dbraw/zinc/95/43/90/787954390.db2.gz JAYOFNFDFQZMNH-HIFRSBDPSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001097096643 787977116 /nfs/dbraw/zinc/97/71/16/787977116.db2.gz UEORASHPRMOWQT-MTSZKFMLSA-N 0 3 304.434 2.265 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cn(C(C)C)nc2C)cc1 ZINC001132226799 787981613 /nfs/dbraw/zinc/98/16/13/787981613.db2.gz OXHULKWKYCISAB-UHFFFAOYSA-N 0 3 324.428 2.273 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCn2cccc2)CC[C@@H]1C ZINC001132384010 788052474 /nfs/dbraw/zinc/05/24/74/788052474.db2.gz HNVQTVAKSQLNIP-IRXDYDNUSA-N 0 3 319.449 2.050 20 30 DEEDHN C#CCCCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132398724 788057414 /nfs/dbraw/zinc/05/74/14/788057414.db2.gz MNBOEHYRIBAHSM-UHFFFAOYSA-N 0 3 317.389 2.384 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CC=C)CCOCC2)CC[C@@H]1C ZINC001132454634 788075568 /nfs/dbraw/zinc/07/55/68/788075568.db2.gz ZCPDXMNYUGAKDM-DLBZAZTESA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCO)C2)CCCCC1 ZINC001132508171 788109672 /nfs/dbraw/zinc/10/96/72/788109672.db2.gz DQEHIHAYBLUFKN-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCCO)C2)CCCC1 ZINC001132546609 788120516 /nfs/dbraw/zinc/12/05/16/788120516.db2.gz OOXDFEBOACLLQP-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCOC3)C2 ZINC001097585085 788140714 /nfs/dbraw/zinc/14/07/14/788140714.db2.gz JEPMSZFFAOLSGE-BMFZPTHFSA-N 0 3 316.401 2.264 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132591873 788141612 /nfs/dbraw/zinc/14/16/12/788141612.db2.gz YRVLSKVUVMSYSS-UHFFFAOYSA-N 0 3 315.417 2.044 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001132671398 788161671 /nfs/dbraw/zinc/16/16/71/788161671.db2.gz QMNOTPWLXNGVRV-CZUORRHYSA-N 0 3 308.397 2.167 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNC[C@H](O)c1ccccc1F ZINC001132671397 788161714 /nfs/dbraw/zinc/16/17/14/788161714.db2.gz QMNOTPWLXNGVRV-CJNGLKHVSA-N 0 3 308.397 2.167 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CN(C(=O)C#CC(C)C)CC[C@@H]1C ZINC001132809151 788204115 /nfs/dbraw/zinc/20/41/15/788204115.db2.gz LMWNQCFZTDUOIR-HOCLYGCPSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001133091039 788279561 /nfs/dbraw/zinc/27/95/61/788279561.db2.gz NNPNQRTWIFFEJF-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCC(=O)NCCNC[C@@H](O)c1cc(F)ccc1F ZINC001133158026 788298857 /nfs/dbraw/zinc/29/88/57/788298857.db2.gz XJNDBFFLDZXHOS-OAHLLOKOSA-N 0 3 312.360 2.060 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)C2 ZINC001097992005 788315584 /nfs/dbraw/zinc/31/55/84/788315584.db2.gz LIRWUMXYRKWPAP-VWJUVAHCSA-N 0 3 320.436 2.317 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)C(F)F)NCc1cc(F)ccc1C#N ZINC001133443941 788424476 /nfs/dbraw/zinc/42/44/76/788424476.db2.gz QMRFAZSJFCXULZ-UWVGGRQHSA-N 0 3 313.323 2.335 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn3c(cccc3C)n2)CC1 ZINC000106038318 788481470 /nfs/dbraw/zinc/48/14/70/788481470.db2.gz SFQYAUQLOIXAID-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001134119270 788771289 /nfs/dbraw/zinc/77/12/89/788771289.db2.gz OITULYLVXUDFIS-CVEARBPZSA-N 0 3 318.465 2.470 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)CCC=C(C)C ZINC001134191076 788797254 /nfs/dbraw/zinc/79/72/54/788797254.db2.gz XTNILPVABSJTGO-HZPDHXFCSA-N 0 3 323.481 2.156 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cccc3c2OCC3)c1 ZINC001134205315 788799710 /nfs/dbraw/zinc/79/97/10/788799710.db2.gz QVUIAPNNIGPFRJ-UHFFFAOYSA-N 0 3 321.380 2.013 20 30 DEEDHN Cc1nc(C)c(CN[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001134322003 788869852 /nfs/dbraw/zinc/86/98/52/788869852.db2.gz ODEMBNBGTYDWPT-VXGBXAGGSA-N 0 3 303.406 2.078 20 30 DEEDHN Cc1cnc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC2CC2)s1 ZINC001134321185 788870318 /nfs/dbraw/zinc/87/03/18/788870318.db2.gz FHCCVEVLDPNICB-NWDGAFQWSA-N 0 3 305.447 2.238 20 30 DEEDHN Cc1cc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)nn1C ZINC001134328919 788875082 /nfs/dbraw/zinc/87/50/82/788875082.db2.gz HEXAVZMIIRYMEE-KBPBESRZSA-N 0 3 318.465 2.151 20 30 DEEDHN CCn1ccnc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134328435 788875655 /nfs/dbraw/zinc/87/56/55/788875655.db2.gz CMRKDJDRQMFHJT-HUUCEWRRSA-N 0 3 318.465 2.325 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C ZINC001134449595 788928093 /nfs/dbraw/zinc/92/80/93/788928093.db2.gz VOCHPLNTBIJZHM-KBPBESRZSA-N 0 3 306.454 2.395 20 30 DEEDHN C[C@H]1CC[C@@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001134738000 789056919 /nfs/dbraw/zinc/05/69/19/789056919.db2.gz DFSHUQVSRCJDST-GXTWGEPZSA-N 0 3 303.381 2.339 20 30 DEEDHN CC(C)c1cc(C(=O)NCCNCc2cccc(C#N)c2)on1 ZINC001134754159 789076116 /nfs/dbraw/zinc/07/61/16/789076116.db2.gz BCSJLXKDOCZVJQ-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1cnco1)NCc1ccccc1C#N ZINC001135116414 789205936 /nfs/dbraw/zinc/20/59/36/789205936.db2.gz UAKCEZUBPILRFG-OLZOCXBDSA-N 0 3 312.373 2.233 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2cnns2)C1 ZINC001135426293 789335937 /nfs/dbraw/zinc/33/59/37/789335937.db2.gz BWESRWGVXGGXSL-NEPJUHHUSA-N 0 3 308.451 2.267 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1ccnnc1)NCc1ccccc1C#N ZINC001135539867 789387499 /nfs/dbraw/zinc/38/74/99/789387499.db2.gz GOFOPZYGROWMAF-ZIAGYGMSSA-N 0 3 323.400 2.035 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1ncccn1 ZINC001135730175 789469625 /nfs/dbraw/zinc/46/96/25/789469625.db2.gz NPOZAOONGPGQFK-UONOGXRCSA-N 0 3 323.400 2.035 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001070927547 789483305 /nfs/dbraw/zinc/48/33/05/789483305.db2.gz CUFVFMITDPMULN-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071054037 789507753 /nfs/dbraw/zinc/50/77/53/789507753.db2.gz WPLQEKWHKKHCDT-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H](C)CC(C)C)cc1C#N ZINC001135868807 789532738 /nfs/dbraw/zinc/53/27/38/789532738.db2.gz WVGWGWZLKMKCBX-CQSZACIVSA-N 0 3 317.433 2.455 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(CC)CC)C[C@H](C)O2 ZINC001071136972 789551696 /nfs/dbraw/zinc/55/16/96/789551696.db2.gz SIQRCBHJWBHNRU-YJBOKZPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccsn1)C[C@@H](C)O2 ZINC001071177708 789576520 /nfs/dbraw/zinc/57/65/20/789576520.db2.gz FHUYCUIINCMUCB-CZUORRHYSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CF)CC1)C[C@@H](C)O2 ZINC001071213402 789598436 /nfs/dbraw/zinc/59/84/36/789598436.db2.gz DVCACVTVGYMYNV-RHSMWYFYSA-N 0 3 310.413 2.004 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001071261964 789615127 /nfs/dbraw/zinc/61/51/27/789615127.db2.gz XXEGPXCBGWHPKE-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2c[nH]cc2C2CC2)s1 ZINC001136071648 789617970 /nfs/dbraw/zinc/61/79/70/789617970.db2.gz MIVLHJGQVPZBFI-UHFFFAOYSA-N 0 3 314.414 2.345 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccnc(OC(C)C)c1 ZINC001170911316 789650001 /nfs/dbraw/zinc/65/00/01/789650001.db2.gz JDTJYBRLOQMAKS-UHFFFAOYSA-N 0 3 311.813 2.331 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071358031 789680056 /nfs/dbraw/zinc/68/00/56/789680056.db2.gz YEYBWXKMRCWEGI-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnn2C(F)F)CC[C@@H]1C ZINC001071534289 789764134 /nfs/dbraw/zinc/76/41/34/789764134.db2.gz PBVYMHOKMNQPRV-RYUDHWBXSA-N 0 3 312.364 2.437 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3[nH]cnc3c2)CC[C@@H]1C ZINC001071543167 789769252 /nfs/dbraw/zinc/76/92/52/789769252.db2.gz KMJPWBHGKUDXBR-GXTWGEPZSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(Cl)n[nH]c2CC)CC[C@H]1C ZINC001071556126 789778470 /nfs/dbraw/zinc/77/84/70/789778470.db2.gz IUXVGVXCIYHGTO-VXGBXAGGSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)CC[C@H]1C ZINC001071610328 789813612 /nfs/dbraw/zinc/81/36/12/789813612.db2.gz 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789909941 /nfs/dbraw/zinc/90/99/41/789909941.db2.gz PMZANZXBVKPYGG-KBPBESRZSA-N 0 3 305.397 2.308 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ncccc2OC)CC[C@@H]1C ZINC001071768908 789911105 /nfs/dbraw/zinc/91/11/05/789911105.db2.gz GDVZLSQTMAHQJC-GJZGRUSLSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3cc(C)nc3c2)CC[C@@H]1C ZINC001071828357 789933136 /nfs/dbraw/zinc/93/31/36/789933136.db2.gz NMYMMXWHCFOHPH-RDJZCZTQSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C ZINC001071841577 789939087 /nfs/dbraw/zinc/93/90/87/789939087.db2.gz XVJQATPROYITQG-WMLDXEAASA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)COC3)CC[C@@H]1C ZINC001071886329 789959784 /nfs/dbraw/zinc/95/97/84/789959784.db2.gz BMFGQQSERPBYDG-KSSFIOAISA-N 0 3 312.413 2.323 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)CC[C@H]1C ZINC001071890246 789961112 /nfs/dbraw/zinc/96/11/12/789961112.db2.gz IRGISPLPIJZNCB-ZBFHGGJFSA-N 0 3 324.428 2.477 20 30 DEEDHN 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DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)cn2)cc1 ZINC001148504632 791763663 /nfs/dbraw/zinc/76/36/63/791763663.db2.gz AUKNSKAZGPJKJF-UHFFFAOYSA-N 0 3 314.776 2.126 20 30 DEEDHN COc1cccc(NC(=O)c2ccc(NC(=N)N)cc2)c1C#N ZINC001148650478 791780927 /nfs/dbraw/zinc/78/09/27/791780927.db2.gz NVHYYNOGBPPICG-UHFFFAOYSA-N 0 3 309.329 2.125 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@H](C)C(=O)NCCC ZINC001148728098 791794571 /nfs/dbraw/zinc/79/45/71/791794571.db2.gz VUGIVAWXBQNHFE-OAHLLOKOSA-N 0 3 313.486 2.358 20 30 DEEDHN CCCCCCCCCC(=O)NCCNCC(=O)N(C)CC ZINC001148820687 791807968 /nfs/dbraw/zinc/80/79/68/791807968.db2.gz LBIBELTVPWLZNS-UHFFFAOYSA-N 0 3 313.486 2.311 20 30 DEEDHN CN(C)c1cccc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001148948790 791819741 /nfs/dbraw/zinc/81/97/41/791819741.db2.gz PIGVGCAOJXMOPV-UHFFFAOYSA-N 0 3 322.412 2.144 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCCO3)C2)CC1 ZINC001086907057 791845337 /nfs/dbraw/zinc/84/53/37/791845337.db2.gz LYDRTBLIHAREPS-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(F)cn3)C2)CC1 ZINC001086918030 791850563 /nfs/dbraw/zinc/85/05/63/791850563.db2.gz DEQHPPXEZCDQSL-CQSZACIVSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3coc(C)n3)C2)CC1 ZINC001086918629 791850598 /nfs/dbraw/zinc/85/05/98/791850598.db2.gz SLGVVGUEGNHEDI-CQSZACIVSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCCCO3)C2)CC1 ZINC001086915438 791854591 /nfs/dbraw/zinc/85/45/91/791854591.db2.gz INRYKDSNVOJPLA-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCCCO3)C2)CC1 ZINC001086915435 791854958 /nfs/dbraw/zinc/85/49/58/791854958.db2.gz INRYKDSNVOJPLA-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3=CCOCC3)C2)CC1 ZINC001086941326 791856635 /nfs/dbraw/zinc/85/66/35/791856635.db2.gz QNQKLGOCVORRIX-MRXNPFEDSA-N 0 3 316.445 2.059 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3nccs3)C2)CC1 ZINC001086949736 791861547 /nfs/dbraw/zinc/86/15/47/791861547.db2.gz 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CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001098843650 791961339 /nfs/dbraw/zinc/96/13/39/791961339.db2.gz HUUCRYSORFJREB-GNBUJSLZSA-N 0 3 323.440 2.179 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)c3ccccc3)C[C@]2(C)C1 ZINC001092257205 791969007 /nfs/dbraw/zinc/96/90/07/791969007.db2.gz NBQIKBYFMZHDET-XLIONFOSSA-N 0 3 310.441 2.378 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3ccccc3C)C[C@]2(C)C1 ZINC001092262245 791972599 /nfs/dbraw/zinc/97/25/99/791972599.db2.gz PRTNWRUIYVOQLG-QUCCMNQESA-N 0 3 310.441 2.341 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001098970375 792007726 /nfs/dbraw/zinc/00/77/26/792007726.db2.gz YDZFEOMUAMCJHJ-GUYCJALGSA-N 0 3 302.422 2.133 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001099002356 792031103 /nfs/dbraw/zinc/03/11/03/792031103.db2.gz XENGNKDUOCYYSF-ZWOKBUDYSA-N 0 3 323.440 2.105 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2(C)CCCCC2)[C@H](O)C1 ZINC001099913348 792047431 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C=CCN[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C(F)(F)F ZINC001099266444 792156930 /nfs/dbraw/zinc/15/69/30/792156930.db2.gz OJAIAFHBVPJPQY-GHMZBOCLSA-N 0 3 317.311 2.070 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1nonc1C ZINC001099291768 792162250 /nfs/dbraw/zinc/16/22/50/792162250.db2.gz MGZARKWDDNMFNS-CQSZACIVSA-N 0 3 320.437 2.103 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CC2(C)CC2)CC2(CCOCC2)C1 ZINC001099585062 792252175 /nfs/dbraw/zinc/25/21/75/792252175.db2.gz JXSSTCQTHWOUBU-OAHLLOKOSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2occ3c2CCCC3)[C@H](C)C1 ZINC001093158609 792260456 /nfs/dbraw/zinc/26/04/56/792260456.db2.gz LQCYXDFKBMHVLK-UKRRQHHQSA-N 0 3 300.402 2.089 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001100104127 792474305 /nfs/dbraw/zinc/47/43/05/792474305.db2.gz WXGIXPYRBQFJEW-HOTGVXAUSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCOCCCC(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100216444 792522303 /nfs/dbraw/zinc/52/23/03/792522303.db2.gz RLWXPWACGJUEIW-UHFFFAOYSA-N 0 3 317.433 2.049 20 30 DEEDHN C#CCCCC(=O)NCC1CC(N[C@H](C)c2cnc(C)cn2)C1 ZINC001100284440 792564447 /nfs/dbraw/zinc/56/44/47/792564447.db2.gz OQWVLIKKSDQMTG-QQFBHYJXSA-N 0 3 314.433 2.134 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC001100299979 792573702 /nfs/dbraw/zinc/57/37/02/792573702.db2.gz HCXKUHCIMSGZMT-UYSNPLJNSA-N 0 3 318.367 2.178 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2ccncc2)C1 ZINC001100474444 792675195 /nfs/dbraw/zinc/67/51/95/792675195.db2.gz PSCCUJLYRQFYNG-UHFFFAOYSA-N 0 3 307.825 2.251 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1CC(N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001100567763 792722960 /nfs/dbraw/zinc/72/29/60/792722960.db2.gz AJMVOBLDPFZNQM-XGNXJENSSA-N 0 3 319.453 2.261 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccn(C)c3CC)CCC[C@@H]12 ZINC001094511138 792955679 /nfs/dbraw/zinc/95/56/79/792955679.db2.gz IPMYOAGJLORSBE-IEBWSBKVSA-N 0 3 313.445 2.195 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101315074 793113382 /nfs/dbraw/zinc/11/33/82/793113382.db2.gz WYDJICODOKUNLG-QRQLOZEOSA-N 0 3 318.461 2.019 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN([C@H](C)c2cnc(C)cn2)C[C@H]1C ZINC001101805362 793384550 /nfs/dbraw/zinc/38/45/50/793384550.db2.gz PBGORAFPLVMXNY-FVQBIDKESA-N 0 3 316.449 2.496 20 30 DEEDHN COCCCN1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319693 793398115 /nfs/dbraw/zinc/39/81/15/793398115.db2.gz PPFHSFCSISTBAQ-MRXNPFEDSA-N 0 3 301.434 2.143 20 30 DEEDHN CCOC(=O)c1cnc2n1CCN([C@H](C)CCCC#N)CC2 ZINC001172497768 793439175 /nfs/dbraw/zinc/43/91/75/793439175.db2.gz FOYFYBKFOMKFQD-CYBMUJFWSA-N 0 3 304.394 2.000 20 30 DEEDHN C[C@H](CCCC#N)N1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001172510197 793440714 /nfs/dbraw/zinc/44/07/14/793440714.db2.gz XEMAODQHULIZFD-HUUCEWRRSA-N 0 3 300.406 2.358 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150078820 793484095 /nfs/dbraw/zinc/48/40/95/793484095.db2.gz NKZSQARXHLNPLL-AWEZNQCLSA-N 0 3 300.418 2.155 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCC(N2CC[C@@](C)(C#N)C2)CC1 ZINC001172893475 793529508 /nfs/dbraw/zinc/52/95/08/793529508.db2.gz CSUWHXIYMGTNMI-KRWDZBQOSA-N 0 3 307.438 2.028 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2conc2C)C[C@H]1C ZINC001102226248 793535921 /nfs/dbraw/zinc/53/59/21/793535921.db2.gz IKRDMKKJZYXFBR-TZMCWYRMSA-N 0 3 305.422 2.379 20 30 DEEDHN CN([C@@H]1CCCOC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991842 793561365 /nfs/dbraw/zinc/56/13/65/793561365.db2.gz BTGSPXABMGKWNO-ZNMIVQPWSA-N 0 3 323.437 2.389 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102410032 793605993 /nfs/dbraw/zinc/60/59/93/793605993.db2.gz GSMMNSOUPHIRTI-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN CC[C@@H](CC(C)C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102501136 793634265 /nfs/dbraw/zinc/63/42/65/793634265.db2.gz RXYVOIXNHUKOOZ-FGTMMUONSA-N 0 3 322.493 2.393 20 30 DEEDHN CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688486 793712101 /nfs/dbraw/zinc/71/21/01/793712101.db2.gz KBPIKYGBVPHVGD-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688486 793712107 /nfs/dbraw/zinc/71/21/07/793712107.db2.gz KBPIKYGBVPHVGD-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C[C@@H](N)c1nccn1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421420 793725589 /nfs/dbraw/zinc/72/55/89/793725589.db2.gz UYXUBBKIEDOJAN-CYBMUJFWSA-N 0 3 323.400 2.252 20 30 DEEDHN CC[C@H](CC#N)NC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424760 793726554 /nfs/dbraw/zinc/72/65/54/793726554.db2.gz KHKPZURGOKWDAY-MRXNPFEDSA-N 0 3 310.401 2.445 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](OC)C2CC2)C1 ZINC001102932829 793827509 /nfs/dbraw/zinc/82/75/09/793827509.db2.gz ISKFEEWMUSHNOE-KCPJHIHWSA-N 0 3 314.857 2.238 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CCCCNCc1nccn1C ZINC001174798390 794078117 /nfs/dbraw/zinc/07/81/17/794078117.db2.gz JSQHAAHRKQNSGI-INIZCTEOSA-N 0 3 318.465 2.378 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C ZINC001103874327 794274573 /nfs/dbraw/zinc/27/45/73/794274573.db2.gz MBNLOFKFFINVPJ-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN CC[C@@H](C(=O)NC[C@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001104031067 794350995 /nfs/dbraw/zinc/35/09/95/794350995.db2.gz OYILJMOPCLEMQM-WBMJQRKESA-N 0 3 320.412 2.202 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c[nH]nc1-c1ccco1 ZINC001176512457 794444310 /nfs/dbraw/zinc/44/43/10/794444310.db2.gz RUZPFGZVIDWDBN-UHFFFAOYSA-N 0 3 308.769 2.132 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001111777202 794477084 /nfs/dbraw/zinc/47/70/84/794477084.db2.gz SYRDGQFQUHHYGH-SCTDSRPQSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCCNCc1oc(CCC)nc1C ZINC001177269642 794629055 /nfs/dbraw/zinc/62/90/55/794629055.db2.gz TYDPTIPTBOCREC-AWEZNQCLSA-N 0 3 323.437 2.123 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(N)cnc1Cl ZINC001177902989 794772762 /nfs/dbraw/zinc/77/27/62/794772762.db2.gz CTDBRHPZUQEOQW-ZETCQYMHSA-N 0 3 307.766 2.095 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCc1ncn2ccccc12 ZINC001177917823 794777523 /nfs/dbraw/zinc/77/75/23/794777523.db2.gz MMFUAQFCJLZIBH-LBPRGKRZSA-N 0 3 310.382 2.394 20 30 DEEDHN Cc1nocc1CNC1(CNC(=O)C#CC2CC2)CCCCC1 ZINC001115527525 794811205 /nfs/dbraw/zinc/81/12/05/794811205.db2.gz YYKUJLQAVWQJDK-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001178335256 794891245 /nfs/dbraw/zinc/89/12/45/794891245.db2.gz USDRXLFHCQVORU-QGZVFWFLSA-N 0 3 323.437 2.076 20 30 DEEDHN CCn1ccc(CNCCCCCCNC(=O)C#CC2CC2)n1 ZINC001178445705 794916631 /nfs/dbraw/zinc/91/66/31/794916631.db2.gz ABKXDUBHTMNCNL-UHFFFAOYSA-N 0 3 316.449 2.083 20 30 DEEDHN N#CCOc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC001116140716 794941428 /nfs/dbraw/zinc/94/14/28/794941428.db2.gz RFGNVZIUYWWBMJ-OAHLLOKOSA-N 0 3 312.373 2.067 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@@H](C)c2n[nH]c(C)n2)[C@@H]1C ZINC001178794879 794995440 /nfs/dbraw/zinc/99/54/40/794995440.db2.gz CZYPRORFDUDGSK-OBJOEFQTSA-N 0 3 319.453 2.355 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCC(C)C)[C@@H]1C ZINC001178805281 795000118 /nfs/dbraw/zinc/00/01/18/795000118.db2.gz AWNNBZZEEKMPFR-JYJNAYRXSA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cncs2)[C@@H]1C ZINC001179360290 795106629 /nfs/dbraw/zinc/10/66/29/795106629.db2.gz QTVNBYCLSCWCDV-ZFWWWQNUSA-N 0 3 305.447 2.416 20 30 DEEDHN COc1ccc(C[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC001118060527 795147783 /nfs/dbraw/zinc/14/77/83/795147783.db2.gz FYUVSIYFZBOHQY-BBRMVZONSA-N 0 3 303.406 2.106 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cnns2)C1 ZINC001180846656 795378862 /nfs/dbraw/zinc/37/88/62/795378862.db2.gz RYARIBIVEJSDGX-IUODEOHRSA-N 0 3 308.451 2.079 20 30 DEEDHN C=CCCC(=O)NC1(CCOC)CCN(CCOCC=C)CC1 ZINC001151014411 795426925 /nfs/dbraw/zinc/42/69/25/795426925.db2.gz LSYIKODLYHYOAV-UHFFFAOYSA-N 0 3 324.465 2.143 20 30 DEEDHN CCOCC[C@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001120597377 795494603 /nfs/dbraw/zinc/49/46/03/795494603.db2.gz SDJQFVYBCTXFIM-HNNXBMFYSA-N 0 3 315.335 2.434 20 30 DEEDHN CCOCC[C@@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001120597378 795495214 /nfs/dbraw/zinc/49/52/14/795495214.db2.gz SDJQFVYBCTXFIM-OAHLLOKOSA-N 0 3 315.335 2.434 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCc1ccon1)C2 ZINC001121402978 795627678 /nfs/dbraw/zinc/62/76/78/795627678.db2.gz YEYAYVIOZVLGMA-UHFFFAOYSA-N 0 3 323.824 2.377 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(C)(C)COC)C2 ZINC001121416206 795628535 /nfs/dbraw/zinc/62/85/35/795628535.db2.gz IIMBNEZYZXFPKD-UHFFFAOYSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(C)c(OC)c1 ZINC001182306367 795645323 /nfs/dbraw/zinc/64/53/23/795645323.db2.gz JNQODDMDNHHFLA-INIZCTEOSA-N 0 3 302.418 2.313 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182432367 795671717 /nfs/dbraw/zinc/67/17/17/795671717.db2.gz XGHXMNIUFMLYRU-QGZVFWFLSA-N 0 3 316.449 2.122 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC001121862591 795697402 /nfs/dbraw/zinc/69/74/02/795697402.db2.gz KNHXNCAVCXBREY-XHSDSOJGSA-N 0 3 323.481 2.213 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC001121982044 795711895 /nfs/dbraw/zinc/71/18/95/795711895.db2.gz ODPJRLBPFIKRFE-KGLIPLIRSA-N 0 3 321.469 2.479 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC001122029449 795718956 /nfs/dbraw/zinc/71/89/56/795718956.db2.gz WYGGLFXSVBHJMZ-LSDHHAIUSA-N 0 3 319.453 2.249 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2cc(C(=O)OC)ccc2C1 ZINC001122130921 795729095 /nfs/dbraw/zinc/72/90/95/795729095.db2.gz AANKIKOZOOVSPP-INIZCTEOSA-N 0 3 316.401 2.042 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OC)c(OC)c1C ZINC001122231897 795738284 /nfs/dbraw/zinc/73/82/84/795738284.db2.gz BNUSLXFASOLYGE-AWEZNQCLSA-N 0 3 306.406 2.312 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001151288486 795772240 /nfs/dbraw/zinc/77/22/40/795772240.db2.gz VHAWDZHNBVVUAJ-ZSHCYNCHSA-N 0 3 306.450 2.206 20 30 DEEDHN CC(C)[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)CCO1 ZINC001122607088 795784793 /nfs/dbraw/zinc/78/47/93/795784793.db2.gz VELAZTKBLHVXJR-MCIONIFRSA-N 0 3 315.373 2.180 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccccc2F)cc1F ZINC001122755309 795801529 /nfs/dbraw/zinc/80/15/29/795801529.db2.gz WNPNVZZDRKQLJE-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN COc1ccc(CNCCNC(=O)CC2CCCC2)cc1C#N ZINC001122844795 795811160 /nfs/dbraw/zinc/81/11/60/795811160.db2.gz GLYOPXKHFPFFEX-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)C1CC1)C2 ZINC001110340563 795933583 /nfs/dbraw/zinc/93/35/83/795933583.db2.gz QAMRQHZGMPOFHF-OVPLUVTGSA-N 0 3 304.434 2.267 20 30 DEEDHN Cc1cc(CNC[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]2C)on1 ZINC001184355938 796038897 /nfs/dbraw/zinc/03/88/97/796038897.db2.gz FCAGRHQMAMKZBU-HOCLYGCPSA-N 0 3 317.433 2.217 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](CNCc2nccs2)[C@H](C)C1 ZINC001184358529 796040826 /nfs/dbraw/zinc/04/08/26/796040826.db2.gz XLIABFUXQTUBRQ-HUUCEWRRSA-N 0 3 319.474 2.377 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001184709530 796107385 /nfs/dbraw/zinc/10/73/85/796107385.db2.gz AAKUFWCQJRFPQU-SECBINFHSA-N 0 3 300.189 2.149 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)CCC(F)(F)F)ccc1F ZINC001125226397 796108051 /nfs/dbraw/zinc/10/80/51/796108051.db2.gz AKRVGOZKHUCBDV-UHFFFAOYSA-N 0 3 317.286 2.246 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001184858213 796142090 /nfs/dbraw/zinc/14/20/90/796142090.db2.gz GVKSBPAOLJHVDY-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCOc1ccc(CN2CCC(C(C)(C)C(N)=O)CC2)cc1 ZINC001138557653 796235224 /nfs/dbraw/zinc/23/52/24/796235224.db2.gz OHQZNAKONCKQPH-UHFFFAOYSA-N 0 3 314.429 2.422 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202845588 796241296 /nfs/dbraw/zinc/24/12/96/796241296.db2.gz DJZAGDODUYDQQU-LSDHHAIUSA-N 0 3 317.458 2.464 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC001138628665 796246524 /nfs/dbraw/zinc/24/65/24/796246524.db2.gz BMLHBLMKKOQYGR-KRWDZBQOSA-N 0 3 302.418 2.027 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC001138628665 796246525 /nfs/dbraw/zinc/24/65/25/796246525.db2.gz BMLHBLMKKOQYGR-KRWDZBQOSA-N 0 3 302.418 2.027 20 30 DEEDHN O=C(NCc1ccc(F)cc1)N1CCC2SC(=O)C=C2C1 ZINC001185451329 796262161 /nfs/dbraw/zinc/26/21/61/796262161.db2.gz VSSQLTUBJXEXBA-ZDUSSCGKSA-N 0 3 306.362 2.309 20 30 DEEDHN Cc1n[nH]c(C)c1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001139100831 796323488 /nfs/dbraw/zinc/32/34/88/796323488.db2.gz GEQUETWWKWEARC-UHFFFAOYSA-N 0 3 310.405 2.006 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001185873497 796324911 /nfs/dbraw/zinc/32/49/11/796324911.db2.gz YPHDBCHSFJSBDK-CYBMUJFWSA-N 0 3 308.784 2.235 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](n2cc(CNCCCC)nn2)C1 ZINC001185908202 796332008 /nfs/dbraw/zinc/33/20/08/796332008.db2.gz UNNNCRYNSVARJQ-MRXNPFEDSA-N 0 3 319.453 2.298 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1noc2c1cccc2C ZINC001186547924 796421028 /nfs/dbraw/zinc/42/10/28/796421028.db2.gz BLVGLYDCQSZXGT-AWEZNQCLSA-N 0 3 313.401 2.445 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC001139866001 796438485 /nfs/dbraw/zinc/43/84/85/796438485.db2.gz WXCZUUCXVKKBIR-PBHICJAKSA-N 0 3 318.417 2.181 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](O)[C@H](C)c1ccccc1F ZINC001139869306 796439590 /nfs/dbraw/zinc/43/95/90/796439590.db2.gz FCVZPOPNPRGBES-RHSMWYFYSA-N 0 3 322.424 2.256 20 30 DEEDHN CCCCCCCCCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187340783 796528051 /nfs/dbraw/zinc/52/80/51/796528051.db2.gz GFJPVGRAXMMGQQ-OAHLLOKOSA-N 0 3 311.470 2.193 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1nccnc1C)CC2 ZINC001140936993 796601602 /nfs/dbraw/zinc/60/16/02/796601602.db2.gz MDICNMQWUFTRCT-SFHVURJKSA-N 0 3 314.433 2.318 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001188164648 796634909 /nfs/dbraw/zinc/63/49/09/796634909.db2.gz AHNWVLFHJPLHHE-GDBMZVCRSA-N 0 3 300.402 2.013 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001188317499 796657004 /nfs/dbraw/zinc/65/70/04/796657004.db2.gz ONYGJRVZZLGRPJ-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCc2cc(C)on2)CC1 ZINC001161213130 796676410 /nfs/dbraw/zinc/67/64/10/796676410.db2.gz GZEDGFUKYOSGBY-UHFFFAOYSA-N 0 3 315.417 2.077 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](OC(C)C)c2ccccc2)C1 ZINC001188610328 796688489 /nfs/dbraw/zinc/68/84/89/796688489.db2.gz OJMPVVQVVSCBFK-MSOLQXFVSA-N 0 3 314.429 2.367 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001188884424 796731430 /nfs/dbraw/zinc/73/14/30/796731430.db2.gz ISXFCAUSBWLBIH-IXDOHACOSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001189318384 796807115 /nfs/dbraw/zinc/80/71/15/796807115.db2.gz KYWLNSGNDPAARI-AWEZNQCLSA-N 0 3 310.829 2.035 20 30 DEEDHN Cc1cccc(OCCN(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c1 ZINC001189401576 796822718 /nfs/dbraw/zinc/82/27/18/796822718.db2.gz YVNJHJIWHNNFGI-HZPDHXFCSA-N 0 3 315.417 2.066 20 30 DEEDHN Cc1ccc(OCCN(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1 ZINC001189400114 796822936 /nfs/dbraw/zinc/82/29/36/796822936.db2.gz HKJBAPJRUCQEIU-CVEARBPZSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001189983624 796918533 /nfs/dbraw/zinc/91/85/33/796918533.db2.gz LNVDKCJPLCNLDA-CQSZACIVSA-N 0 3 308.447 2.405 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCCCF)c1 ZINC001110421827 796931739 /nfs/dbraw/zinc/93/17/39/796931739.db2.gz NTVSJSXNMOLSSH-FMKPAKJESA-N 0 3 318.396 2.361 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)CC=C(C)C)C1 ZINC001190230435 796959397 /nfs/dbraw/zinc/95/93/97/796959397.db2.gz YJSSLHUDJJOSOH-ZACQAIPSSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccc(C)c2F)C1 ZINC001190289538 796979086 /nfs/dbraw/zinc/97/90/86/796979086.db2.gz GDNNYWCKVUWFOI-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CCOc2ccccc2)c1 ZINC001150923519 796991631 /nfs/dbraw/zinc/99/16/31/796991631.db2.gz YRASRWFAEANJIN-UHFFFAOYSA-N 0 3 323.396 2.233 20 30 DEEDHN C=CCCN1CCC(CCOC)(NC(=O)CCCC(C)=O)CC1 ZINC001150948645 796993902 /nfs/dbraw/zinc/99/39/02/796993902.db2.gz JNACUDLCBUPZLJ-UHFFFAOYSA-N 0 3 324.465 2.309 20 30 DEEDHN C=CCCN1CCC(CCOC)(NC(=O)C(=O)C(C)(C)C)CC1 ZINC001151033573 797002612 /nfs/dbraw/zinc/00/26/12/797002612.db2.gz SWEBBPSGSFYLAG-UHFFFAOYSA-N 0 3 324.465 2.165 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCn2nc(C)cc2C)C1 ZINC001190428760 797005757 /nfs/dbraw/zinc/00/57/57/797005757.db2.gz PCXURYCYVSHKKG-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@@H]2CCCCO2)CC1 ZINC001151056545 797006509 /nfs/dbraw/zinc/00/65/09/797006509.db2.gz BUNQZLVVDBATRZ-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ccns2)CC1 ZINC001151148894 797015673 /nfs/dbraw/zinc/01/56/73/797015673.db2.gz CBEYSKCVEBGTDK-UHFFFAOYSA-N 0 3 323.462 2.320 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C2C=CC=CC=C2)CC1 ZINC001151145856 797015787 /nfs/dbraw/zinc/01/57/87/797015787.db2.gz ZWLKARPEPBDRQC-UHFFFAOYSA-N 0 3 316.445 2.458 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001190526912 797019386 /nfs/dbraw/zinc/01/93/86/797019386.db2.gz DSFWFISKTPUQEH-KBPBESRZSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCCOCC(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151415279 797041719 /nfs/dbraw/zinc/04/17/19/797041719.db2.gz LXTVHJKSHYJZNX-UHFFFAOYSA-N 0 3 324.465 2.143 20 30 DEEDHN C=CCC1(S(=O)(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC001190832987 797088447 /nfs/dbraw/zinc/08/84/47/797088447.db2.gz KMIBQKJNHOQJJF-CQSZACIVSA-N 0 3 300.468 2.135 20 30 DEEDHN Cc1cccc(CNC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001190979428 797118320 /nfs/dbraw/zinc/11/83/20/797118320.db2.gz MAHGQNWUJNCWAJ-AWEZNQCLSA-N 0 3 302.399 2.479 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001190983960 797119020 /nfs/dbraw/zinc/11/90/20/797119020.db2.gz QLBHSGFQFOSCCQ-GVDBMIGSSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCC(C)(F)F)C1 ZINC001190996213 797128322 /nfs/dbraw/zinc/12/83/22/797128322.db2.gz ASTACUYHYJFKSG-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN CC[C@H](OC)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152280090 797167010 /nfs/dbraw/zinc/16/70/10/797167010.db2.gz FDAQAPHYQBMPBZ-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1ccc(C)n1[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001152347871 797174882 /nfs/dbraw/zinc/17/48/82/797174882.db2.gz IPEBFECURXVFPD-MRXNPFEDSA-N 0 3 324.428 2.444 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001191416176 797197338 /nfs/dbraw/zinc/19/73/38/797197338.db2.gz NOFKNGKQBYIQSM-ZJCQAOIJSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CC/C=C\c2ccccc2)C[C@H]1O ZINC001191724933 797248426 /nfs/dbraw/zinc/24/84/26/797248426.db2.gz XLFWJAORRLQCET-CFKPLXACSA-N 0 3 314.429 2.217 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001191891383 797282209 /nfs/dbraw/zinc/28/22/09/797282209.db2.gz YRKCOFZZRJDGSB-CVEARBPZSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC001191900189 797283291 /nfs/dbraw/zinc/28/32/91/797283291.db2.gz AKPFHNJLKPSRKI-NVXWUHKLSA-N 0 3 318.465 2.098 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(F)cc1 ZINC001153327670 797321992 /nfs/dbraw/zinc/32/19/92/797321992.db2.gz RNCFOQNAUARJNQ-HUUCEWRRSA-N 0 3 320.408 2.191 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCn2nc(C)cc2C)C1 ZINC001192094257 797325564 /nfs/dbraw/zinc/32/55/64/797325564.db2.gz QAVARJAQUWGAEA-QGZVFWFLSA-N 0 3 318.465 2.389 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc(F)s2)c1 ZINC001153356730 797327607 /nfs/dbraw/zinc/32/76/07/797327607.db2.gz ZZTUDVGRTYFMQJ-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(CC=C)CCC2)C1 ZINC001192227718 797347843 /nfs/dbraw/zinc/34/78/43/797347843.db2.gz UEXQJVHZAHOGEV-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncnc2ccsc21 ZINC001153749246 797386622 /nfs/dbraw/zinc/38/66/22/797386622.db2.gz SAWZFKDPOJINMT-GFCCVEGCSA-N 0 3 316.430 2.155 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c2c[nH]nc2ccc1C ZINC001154107730 797465413 /nfs/dbraw/zinc/46/54/13/797465413.db2.gz RDGHOBYSSNPOCH-CQSZACIVSA-N 0 3 312.417 2.335 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)cc1F ZINC001154197857 797482985 /nfs/dbraw/zinc/48/29/85/797482985.db2.gz DUSXWHUMDJLXPW-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(C)c(OC)c1 ZINC001154247841 797495858 /nfs/dbraw/zinc/49/58/58/797495858.db2.gz MQVXPOPRVLNFHB-MRXNPFEDSA-N 0 3 316.445 2.396 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001154469018 797540633 /nfs/dbraw/zinc/54/06/33/797540633.db2.gz JIDYEZCHJLEGDE-NVXWUHKLSA-N 0 3 314.429 2.239 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cccc(OC)c2)C1 ZINC001193673599 797608049 /nfs/dbraw/zinc/60/80/49/797608049.db2.gz KALIFKSMMSLHHD-INIZCTEOSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001194064198 797672900 /nfs/dbraw/zinc/67/29/00/797672900.db2.gz VCXGTFCBDGLZAK-GVDBMIGSSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCCn2cccc2)C1 ZINC001194209316 797693118 /nfs/dbraw/zinc/69/31/18/797693118.db2.gz NUJDBTAWUNRIIK-QGZVFWFLSA-N 0 3 319.449 2.004 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2cccc(OC)c2)C1 ZINC001194266101 797702862 /nfs/dbraw/zinc/70/28/62/797702862.db2.gz KXVIDMHCFJRUNU-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1OC ZINC001194349298 797711911 /nfs/dbraw/zinc/71/19/11/797711911.db2.gz HQWFENQAIYRGQV-JKSUJKDBSA-N 0 3 304.390 2.188 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1nc(C#N)ccc1[N+](=O)[O-] ZINC001155255720 797719080 /nfs/dbraw/zinc/71/90/80/797719080.db2.gz WBYPOKIQZAMQLR-SECBINFHSA-N 0 3 308.301 2.220 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001194625804 797751052 /nfs/dbraw/zinc/75/10/52/797751052.db2.gz UNCXAGMBXWAASZ-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN CN(C)C1(C)CN(C(=O)c2ccc(C#CBr)cc2)C1 ZINC001194805533 797779699 /nfs/dbraw/zinc/77/96/99/797779699.db2.gz DUWRFFZUNRYNGZ-UHFFFAOYSA-N 0 3 321.218 2.167 20 30 DEEDHN N#CC1(c2ccc(N[C@H]3CN4CCC3CC4)nc2)CCOCC1 ZINC001155667756 797821943 /nfs/dbraw/zinc/82/19/43/797821943.db2.gz MRHNDDZLIDQBGF-INIZCTEOSA-N 0 3 312.417 2.159 20 30 DEEDHN C=CCCOc1ccc(C(=O)N2CCOC[C@H]2CN(C)C)cc1 ZINC001195131629 797840162 /nfs/dbraw/zinc/84/01/62/797840162.db2.gz RKQDJWDXOYMJGB-MRXNPFEDSA-N 0 3 318.417 2.044 20 30 DEEDHN N#Cc1nc(N[C@H]2CCCC[C@@]23CNCCO3)ccc1Cl ZINC001155824511 797856643 /nfs/dbraw/zinc/85/66/43/797856643.db2.gz TUSRHVHVTUKNSH-DZGCQCFKSA-N 0 3 306.797 2.320 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCNCc1csc(-c2ccoc2)n1 ZINC001155849143 797865167 /nfs/dbraw/zinc/86/51/67/797865167.db2.gz VDKLSJMAJYSXGN-NSHDSACASA-N 0 3 318.402 2.159 20 30 DEEDHN Cc1cc(CN)nn1-c1ccc([C@H](C#N)c2ccc(C)cc2)nn1 ZINC001156038720 797910065 /nfs/dbraw/zinc/91/00/65/797910065.db2.gz WPOWZIHVSWNLLQ-MRXNPFEDSA-N 0 3 318.384 2.393 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)CC1 ZINC001195932216 797984959 /nfs/dbraw/zinc/98/49/59/797984959.db2.gz IQAXOKSNMSHYFZ-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN C=C(C)CCC(=O)N1CCCN(CCCO[C@H]2CCOC2)CC1 ZINC001196017806 797994596 /nfs/dbraw/zinc/99/45/96/797994596.db2.gz CTNKOSDBQJCSOS-KRWDZBQOSA-N 0 3 324.465 2.073 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(F)c(F)c(F)c1F ZINC001156535894 798024001 /nfs/dbraw/zinc/02/40/01/798024001.db2.gz MEYZFQRRFYSKJV-SECBINFHSA-N 0 3 316.298 2.316 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC001156672473 798059102 /nfs/dbraw/zinc/05/91/02/798059102.db2.gz PRGGDOOMUUTUAP-CJNGLKHVSA-N 0 3 304.438 2.042 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC001156672235 798059756 /nfs/dbraw/zinc/05/97/56/798059756.db2.gz KCNYHEKNUFXDFO-HNNXBMFYSA-N 0 3 310.825 2.340 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(COC)cc1 ZINC001156828938 798090208 /nfs/dbraw/zinc/09/02/08/798090208.db2.gz IJVCKOJDDYLFNU-OAHLLOKOSA-N 0 3 302.418 2.297 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001196844781 798112623 /nfs/dbraw/zinc/11/26/23/798112623.db2.gz KELJHMBKXYKLRE-USXIJHARSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cncnc1C(C)C ZINC001156942154 798115032 /nfs/dbraw/zinc/11/50/32/798115032.db2.gz AYYLEXHHYMMBSX-CQSZACIVSA-N 0 3 302.422 2.064 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001157041747 798132030 /nfs/dbraw/zinc/13/20/30/798132030.db2.gz VCIJSUVOBOSNLO-LRYGQEGESA-N 0 3 320.477 2.433 20 30 DEEDHN CCCOCCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001157087954 798141328 /nfs/dbraw/zinc/14/13/28/798141328.db2.gz KKCBTLXEBHIALL-GFCCVEGCSA-N 0 3 320.393 2.264 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001157357696 798188569 /nfs/dbraw/zinc/18/85/69/798188569.db2.gz BPPUHCNCRWQOLR-CQSZACIVSA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ccncc1 ZINC001157431439 798205129 /nfs/dbraw/zinc/20/51/29/798205129.db2.gz DEOHBVSSSYGLAA-QGZVFWFLSA-N 0 3 317.433 2.211 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)CCc1ccnn1C ZINC001157705600 798262885 /nfs/dbraw/zinc/26/28/85/798262885.db2.gz FUVVYNRURSLUSV-QGZVFWFLSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1nn(C)cc1Cl ZINC001157993913 798323430 /nfs/dbraw/zinc/32/34/30/798323430.db2.gz DIMDGGNJHXCPDS-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@H](CC)OC)c1ccccc1OC ZINC001198595452 798363085 /nfs/dbraw/zinc/36/30/85/798363085.db2.gz MBSNASQCZUVKSK-HOTGVXAUSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)c1cocn1)c1ccccc1OC ZINC001198605032 798365325 /nfs/dbraw/zinc/36/53/25/798365325.db2.gz DKDLLJCHOIRATC-AWEZNQCLSA-N 0 3 315.373 2.320 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnn2ccccc12 ZINC001158612187 798437095 /nfs/dbraw/zinc/43/70/95/798437095.db2.gz WIERITCMMNNRRP-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1oncc1C ZINC001158689443 798451940 /nfs/dbraw/zinc/45/19/40/798451940.db2.gz IWJQPIQRIOFHHY-OAHLLOKOSA-N 0 3 321.421 2.112 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1cc(C)ncn1 ZINC001158746733 798462336 /nfs/dbraw/zinc/46/23/36/798462336.db2.gz FMICBAFJLAFIOM-UHFFFAOYSA-N 0 3 302.422 2.149 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCC(=O)NC(C)C ZINC001158780650 798468522 /nfs/dbraw/zinc/46/85/22/798468522.db2.gz CINQLQJRQJCACU-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN N#CCSCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001199388438 798471856 /nfs/dbraw/zinc/47/18/56/798471856.db2.gz WOFJFWCFANUHSL-JXMROGBWSA-N 0 3 322.261 2.143 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(OC)cc1C ZINC001158834202 798476532 /nfs/dbraw/zinc/47/65/32/798476532.db2.gz OWBYQJWSSYYGSV-UHFFFAOYSA-N 0 3 310.825 2.395 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1csc(COC)n1 ZINC001158942279 798493079 /nfs/dbraw/zinc/49/30/79/798493079.db2.gz GBTRTNKXMVUPNU-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C[C@H](Nc1nc(Cl)c(Cl)cc1C#N)[C@H]1CNCCO1 ZINC001159496309 798572587 /nfs/dbraw/zinc/57/25/87/798572587.db2.gz JJNVYDZWEAZKBA-OIBJUYFYSA-N 0 3 301.177 2.049 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2ccccc2F)C1 ZINC001200075702 798580623 /nfs/dbraw/zinc/58/06/23/798580623.db2.gz YRJJPRMBSQZLAW-MRXNPFEDSA-N 0 3 320.408 2.499 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2cnc(C)s2)C1 ZINC001200074362 798580694 /nfs/dbraw/zinc/58/06/94/798580694.db2.gz NGTKBAZMUYLOSK-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001159626944 798589810 /nfs/dbraw/zinc/58/98/10/798589810.db2.gz GPAIWIKLWDESQB-UHFFFAOYSA-N 0 3 310.829 2.242 20 30 DEEDHN C=C[C@H]1C[C@@]1(Nc1cc(Cl)nc2c1CCNC2)C(=O)OCC ZINC001159805097 798612633 /nfs/dbraw/zinc/61/26/33/798612633.db2.gz HVKPEVJVXRZIPI-QFYYESIMSA-N 0 3 321.808 2.300 20 30 DEEDHN N#Cc1cnc(NC(=S)NCCN2CCCCC2)c(Cl)c1 ZINC001200418119 798624576 /nfs/dbraw/zinc/62/45/76/798624576.db2.gz HQHSVUQXCKJTPA-UHFFFAOYSA-N 0 3 323.853 2.379 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc(C)sn2)CC1 ZINC001159958137 798632276 /nfs/dbraw/zinc/63/22/76/798632276.db2.gz ZSSJULYAODXXIF-UHFFFAOYSA-N 0 3 303.431 2.227 20 30 DEEDHN CCc1nocc1CNC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001200461824 798634224 /nfs/dbraw/zinc/63/42/24/798634224.db2.gz MLRDZWMPFQPPBB-UHFFFAOYSA-N 0 3 317.433 2.367 20 30 DEEDHN N=C(Nc1ncc2c(n1)CCNC2)c1ccc2cc(O)ccc2c1 ZINC001160020651 798639886 /nfs/dbraw/zinc/63/98/86/798639886.db2.gz DRXNTBZPLBWALV-UHFFFAOYSA-N 0 3 319.368 2.018 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@H](CNC/C=C\Cl)C2)CCC1 ZINC001200680269 798664915 /nfs/dbraw/zinc/66/49/15/798664915.db2.gz NHWRTQYMEKCQDZ-KHSJVXASSA-N 0 3 324.852 2.140 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N[C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001200823639 798684188 /nfs/dbraw/zinc/68/41/88/798684188.db2.gz SHBRAUFKKJFBAD-ZDUSSCGKSA-N 0 3 319.453 2.365 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)C(CC)CC)CCCO1 ZINC001200851834 798686960 /nfs/dbraw/zinc/68/69/60/798686960.db2.gz RHKKZNIMKOAEHO-WBVHZDCISA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C(C)(C)C(C)(C)C)CCCO1 ZINC001201138319 798715140 /nfs/dbraw/zinc/71/51/40/798715140.db2.gz JZPSNUBPVVEXEF-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2nc(C)n3ccccc23)CC1 ZINC001160658222 798716682 /nfs/dbraw/zinc/71/66/82/798716682.db2.gz SLDMKUFKIKBJKH-UHFFFAOYSA-N 0 3 322.412 2.028 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2cc(C)cn3ccnc23)CC1 ZINC001160779437 798740033 /nfs/dbraw/zinc/74/00/33/798740033.db2.gz ZDUPXYPYIYLSBU-UHFFFAOYSA-N 0 3 322.412 2.028 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H](C)CCCCC)CCCO1 ZINC001201576141 798773588 /nfs/dbraw/zinc/77/35/88/798773588.db2.gz FVPWNTOCVZPZOB-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cccnc2OC)CC1 ZINC001161121461 798798813 /nfs/dbraw/zinc/79/88/13/798798813.db2.gz JGNBNWFAXNSGLQ-UHFFFAOYSA-N 0 3 301.390 2.028 20 30 DEEDHN N#Cc1nccnc1NC1CCN(Cc2ccc(O)cc2)CC1 ZINC001161130450 798800359 /nfs/dbraw/zinc/80/03/59/798800359.db2.gz MNARSWWLMGDBPA-UHFFFAOYSA-N 0 3 309.373 2.130 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2conc2CC)CC1 ZINC001161148013 798802996 /nfs/dbraw/zinc/80/29/96/798802996.db2.gz BDTHYSITZCPLJW-UHFFFAOYSA-N 0 3 301.390 2.012 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)CCCO1 ZINC001201901379 798805352 /nfs/dbraw/zinc/80/53/52/798805352.db2.gz RKBMAGOKAMMGBK-ULQDDVLXSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC001202084703 798825034 /nfs/dbraw/zinc/82/50/34/798825034.db2.gz IENGBBMTHIXVBQ-OLZOCXBDSA-N 0 3 321.421 2.222 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202084811 798825902 /nfs/dbraw/zinc/82/59/02/798825902.db2.gz KTDZFTWLLJILAA-ZFWWWQNUSA-N 0 3 318.465 2.267 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2nccn2C)CC1 ZINC001202108223 798828058 /nfs/dbraw/zinc/82/80/58/798828058.db2.gz IQQRULRNXOMXQW-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202123876 798829948 /nfs/dbraw/zinc/82/99/48/798829948.db2.gz YLLUTRFJCKDNSN-AWEZNQCLSA-N 0 3 316.449 2.468 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cnn(CCC)c2)CC1 ZINC001161376218 798839378 /nfs/dbraw/zinc/83/93/78/798839378.db2.gz OSKJRSUNWLMDRG-UHFFFAOYSA-N 0 3 314.433 2.068 20 30 DEEDHN C=CCCCC(=O)N1CCC(NCc2snnc2C)CC1 ZINC001202267148 798847883 /nfs/dbraw/zinc/84/78/83/798847883.db2.gz VZROEGBFMLGMPG-UHFFFAOYSA-N 0 3 308.451 2.283 20 30 DEEDHN Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCN(C)C)n1 ZINC001161666634 798907429 /nfs/dbraw/zinc/90/74/29/798907429.db2.gz IDQLUPVLMPCMEK-KDHISYJLSA-N 0 3 310.467 2.245 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cn(C)nc2Cl)CC1 ZINC001161694105 798914028 /nfs/dbraw/zinc/91/40/28/798914028.db2.gz JDSRACLEBICWIF-UHFFFAOYSA-N 0 3 308.813 2.012 20 30 DEEDHN C=CCOCc1cccc(NCCCN2CCN(C)CC2)c1 ZINC001161709852 798918411 /nfs/dbraw/zinc/91/84/11/798918411.db2.gz JGIGIJGAVJMAIY-UHFFFAOYSA-N 0 3 303.450 2.439 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)c2cccnc2)CC1 ZINC001161729203 798924350 /nfs/dbraw/zinc/92/43/50/798924350.db2.gz NYDJIQNVHHCIII-MRXNPFEDSA-N 0 3 311.429 2.347 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccnc1N1CCCC1 ZINC001161948272 798975893 /nfs/dbraw/zinc/97/58/93/798975893.db2.gz HJIHRSWMDPKHDL-UHFFFAOYSA-N 0 3 322.840 2.144 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC001161973495 798982690 /nfs/dbraw/zinc/98/26/90/798982690.db2.gz YGCSLJOPJWWRQT-AEFFLSMTSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001162951044 799206265 /nfs/dbraw/zinc/20/62/65/799206265.db2.gz ICFUPFMZMMCWGC-KBPBESRZSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)cn2ccnc12 ZINC001163179522 799272120 /nfs/dbraw/zinc/27/21/20/799272120.db2.gz OREZAAPSFBIAHS-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)o2)C12CCC2 ZINC001202616471 799287987 /nfs/dbraw/zinc/28/79/87/799287987.db2.gz HGMMBYDIRDGHES-CABCVRRESA-N 0 3 303.406 2.466 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCNCc2ncc(C)s2)cc1 ZINC001163729437 799417844 /nfs/dbraw/zinc/41/78/44/799417844.db2.gz ULYCIEVXSAZGDH-UHFFFAOYSA-N 0 3 313.426 2.343 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1cccnc1OC ZINC001163855756 799446995 /nfs/dbraw/zinc/44/69/95/799446995.db2.gz RHRKYGNEDSCWPK-UHFFFAOYSA-N 0 3 305.422 2.288 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCNCc1c(C)nn(C)c1Cl ZINC001163948787 799462605 /nfs/dbraw/zinc/46/26/05/799462605.db2.gz UMRJRSRWZQZYES-UHFFFAOYSA-N 0 3 312.845 2.190 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cncc(F)c2)CC1 ZINC001164053674 799498225 /nfs/dbraw/zinc/49/82/25/799498225.db2.gz UIXORPKNNSRSDU-UHFFFAOYSA-N 0 3 311.788 2.463 20 30 DEEDHN N#Cc1cc(Cl)ncc1C(F)(F)n1cnc2c1CNCC2 ZINC001164317138 799569354 /nfs/dbraw/zinc/56/93/54/799569354.db2.gz ZJNSDUGOTZUSSZ-UHFFFAOYSA-N 0 3 309.707 2.046 20 30 DEEDHN CC1(C)CCCc2cc(C#N)c(-n3cnc4c3CNCC4)nc21 ZINC001164317648 799569359 /nfs/dbraw/zinc/56/93/59/799569359.db2.gz VSXKDQGCMDGUHC-UHFFFAOYSA-N 0 3 307.401 2.399 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001164360138 799582195 /nfs/dbraw/zinc/58/21/95/799582195.db2.gz FMHFNRFYFADNMG-CQSZACIVSA-N 0 3 304.438 2.028 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO[C@H]1C(C)C)C2 ZINC001095434844 799594144 /nfs/dbraw/zinc/59/41/44/799594144.db2.gz CEDGEMCUGUKGMQ-FPSMNIFISA-N 0 3 318.461 2.182 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2cccs2)C1 ZINC001149058047 799601996 /nfs/dbraw/zinc/60/19/96/799601996.db2.gz FUNJWEYQVRZDEO-AWEZNQCLSA-N 0 3 308.447 2.074 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CC[C@H](F)C1 ZINC001164661043 799636157 /nfs/dbraw/zinc/63/61/57/799636157.db2.gz ODIWEIKTVMMCNM-MNOVXSKESA-N 0 3 307.207 2.129 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(CC)c1Cl)C2 ZINC001095551048 799657294 /nfs/dbraw/zinc/65/72/94/799657294.db2.gz ZEJUXSAOAOCGRT-USWWRNFRSA-N 0 3 308.813 2.147 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnn3ccccc13)C2 ZINC001095553710 799658396 /nfs/dbraw/zinc/65/83/96/799658396.db2.gz UHZWESVVHUQKLX-RYRKJORJSA-N 0 3 324.428 2.174 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(F)cc1F)C2 ZINC001095622002 799673335 /nfs/dbraw/zinc/67/33/35/799673335.db2.gz GZYKXUTZUDDLFP-XBFCOCLRSA-N 0 3 307.344 2.271 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCNCc2ccn(C(C)C)n2)C1 ZINC001166245788 799850893 /nfs/dbraw/zinc/85/08/93/799850893.db2.gz PYJQVAKZLSHESI-UHFFFAOYSA-N 0 3 304.438 2.416 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)CCN1Cc1cccc(C#N)c1 ZINC000947095486 800015725 /nfs/dbraw/zinc/01/57/25/800015725.db2.gz TWWWZPRGBIKWET-DYVFJYSZSA-N 0 3 323.400 2.064 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@H]([C@H]2CCCO2)C1 ZINC000933183412 800034480 /nfs/dbraw/zinc/03/44/80/800034480.db2.gz PSHFPGGTQMNCQO-QLFBSQMISA-N 0 3 308.422 2.359 20 30 DEEDHN CC(C)C[C@H]1CN(C)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000933247623 800050967 /nfs/dbraw/zinc/05/09/67/800050967.db2.gz HJGQEGWMQXARCQ-ROUUACIJSA-N 0 3 301.434 2.254 20 30 DEEDHN C#CCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000933298677 800063317 /nfs/dbraw/zinc/06/33/17/800063317.db2.gz GISPOAKLFXMHNT-UHFFFAOYSA-N 0 3 317.345 2.078 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1 ZINC001203761645 800119554 /nfs/dbraw/zinc/11/95/54/800119554.db2.gz CSYOZPZGADEVLW-IAGOWNOFSA-N 0 3 321.380 2.355 20 30 DEEDHN C=CCCOCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001204022569 800161224 /nfs/dbraw/zinc/16/12/24/800161224.db2.gz SSLPMKVHSFQELP-FMIVXFBMSA-N 0 3 321.248 2.479 20 30 DEEDHN C=CCn1cc2ccc(NC(=O)N3CCCN(C)CC3)cc2n1 ZINC000933682829 800162394 /nfs/dbraw/zinc/16/23/94/800162394.db2.gz XYGBVTPWBNEFQJ-UHFFFAOYSA-N 0 3 313.405 2.392 20 30 DEEDHN N#Cc1ccc(OCCCN2CCC[C@H]2C2OCCO2)cc1 ZINC000933903483 800211168 /nfs/dbraw/zinc/21/11/68/800211168.db2.gz JTRLRGSLGZMTMP-INIZCTEOSA-N 0 3 302.374 2.164 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1C)C2 ZINC001204570574 800231795 /nfs/dbraw/zinc/23/17/95/800231795.db2.gz CTVPYDBVRPOHMR-QZTJIDSGSA-N 0 3 319.449 2.302 20 30 DEEDHN CN1CCN(C2(c3ccc(-n4ccc(C#N)c4N)cc3)CC2)CC1 ZINC001205102191 800295908 /nfs/dbraw/zinc/29/59/08/800295908.db2.gz JNCGLWGMFDCFOP-UHFFFAOYSA-N 0 3 321.428 2.168 20 30 DEEDHN C=CCCCC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC001206105611 800474091 /nfs/dbraw/zinc/47/40/91/800474091.db2.gz OTYLKNUEMUCPDI-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCc2scnc2C)C[C@H]1C ZINC001206537250 800551016 /nfs/dbraw/zinc/55/10/16/800551016.db2.gz NVWQKHGEQVHLLY-TZMCWYRMSA-N 0 3 307.463 2.397 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cccc(=O)[nH]1)C2 ZINC001207068767 800673234 /nfs/dbraw/zinc/67/32/34/800673234.db2.gz OKEGMFGNRUZBEI-FUHWJXTLSA-N 0 3 318.417 2.361 20 30 DEEDHN Cn1cc(CN2CCC(C)(C(=O)N3CCCC3)CC2)cc1C#N ZINC001207106852 800683895 /nfs/dbraw/zinc/68/38/95/800683895.db2.gz VNTVYZSXGJCRMV-UHFFFAOYSA-N 0 3 314.433 2.121 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)Cl)C1 ZINC001207145294 800695356 /nfs/dbraw/zinc/69/53/56/800695356.db2.gz IVVIGOGCMSOBJW-TZMCWYRMSA-N 0 3 314.857 2.404 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccnc(C)n1)C2 ZINC001207163493 800699802 /nfs/dbraw/zinc/69/98/02/800699802.db2.gz FLXULJXNHCZGOD-ROUUACIJSA-N 0 3 317.433 2.359 20 30 DEEDHN CCOCCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207664329 800802104 /nfs/dbraw/zinc/80/21/04/800802104.db2.gz YEHVTAOMIMSYIZ-SFHVURJKSA-N 0 3 314.429 2.045 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001207680537 800805473 /nfs/dbraw/zinc/80/54/73/800805473.db2.gz PGWUBZUMZLNSCJ-AWEZNQCLSA-N 0 3 324.371 2.248 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001207683716 800806641 /nfs/dbraw/zinc/80/66/41/800806641.db2.gz GJWPYNSEHYOCEY-AWEZNQCLSA-N 0 3 323.824 2.018 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001207685071 800806934 /nfs/dbraw/zinc/80/69/34/800806934.db2.gz WDMPUCYGJBUWLJ-INIZCTEOSA-N 0 3 324.371 2.248 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001207746699 800822346 /nfs/dbraw/zinc/82/23/46/800822346.db2.gz IXNQOPPIQVZNJR-YWPYICTPSA-N 0 3 305.422 2.408 20 30 DEEDHN Cc1nc(C)c(CNC2(CNC(=O)[C@H](C)C#N)CCCCC2)o1 ZINC001115453317 800845415 /nfs/dbraw/zinc/84/54/15/800845415.db2.gz NHOWPSHJOZOIMH-GFCCVEGCSA-N 0 3 318.421 2.360 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1sccc1F)CCO2 ZINC000949086678 800897075 /nfs/dbraw/zinc/89/70/75/800897075.db2.gz LSYHIRGLWZBWOS-UHFFFAOYSA-N 0 3 324.421 2.380 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1C ZINC001208309291 800950341 /nfs/dbraw/zinc/95/03/41/800950341.db2.gz HWLGKOYPEDOFGN-RHSMWYFYSA-N 0 3 316.445 2.328 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)N(CC)CC)C1 ZINC001208919149 801093452 /nfs/dbraw/zinc/09/34/52/801093452.db2.gz PMXAZWAITQYKKV-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN O=C(OCCN1CCC2SC(=O)C=C2C1)c1ccccc1 ZINC001209043293 801118568 /nfs/dbraw/zinc/11/85/68/801118568.db2.gz YUUPZTAXOYVXJF-CQSZACIVSA-N 0 3 303.383 2.118 20 30 DEEDHN CCOC(=O)CCN1CCC(Oc2ccccc2C#N)CC1 ZINC001209037606 801118618 /nfs/dbraw/zinc/11/86/18/801118618.db2.gz VBEAQEJDSRKFRR-UHFFFAOYSA-N 0 3 302.374 2.355 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@H](NCc2cncs2)C1 ZINC001209158763 801139130 /nfs/dbraw/zinc/13/91/30/801139130.db2.gz ZLSJKMMIRBYTBV-AWEZNQCLSA-N 0 3 305.447 2.417 20 30 DEEDHN C=CCCCN1CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001209163892 801140972 /nfs/dbraw/zinc/14/09/72/801140972.db2.gz LJSPSZKEBCMCRZ-MRXNPFEDSA-N 0 3 312.410 2.095 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001209182780 801144650 /nfs/dbraw/zinc/14/46/50/801144650.db2.gz IRSMQDALOFYGJY-RDJZCZTQSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCCCN1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001209267085 801162138 /nfs/dbraw/zinc/16/21/38/801162138.db2.gz KJEMUOBGFRXXMS-RCCFBDPRSA-N 0 3 300.402 2.243 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001209455101 801195195 /nfs/dbraw/zinc/19/51/95/801195195.db2.gz QLFWHQMUPOHJBK-KDOFPFPSSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H](NCc3cncn3C)C2)CCC1 ZINC001209503682 801203067 /nfs/dbraw/zinc/20/30/67/801203067.db2.gz LNFYAXVAKCFDQM-OAHLLOKOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001209874710 801299227 /nfs/dbraw/zinc/29/92/27/801299227.db2.gz KQTAENFALAHVJR-TZMCWYRMSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCCC)C1 ZINC001209874389 801299619 /nfs/dbraw/zinc/29/96/19/801299619.db2.gz IEVOFSQKIXYWMV-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1cc(N)ncc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001209967824 801313843 /nfs/dbraw/zinc/31/38/43/801313843.db2.gz SLORDSJLXVPQTG-UHFFFAOYSA-N 0 3 322.416 2.339 20 30 DEEDHN CCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001229884306 801333241 /nfs/dbraw/zinc/33/32/41/801333241.db2.gz ZZOFAOUKSOJFRR-HUUCEWRRSA-N 0 3 311.470 2.239 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C(C)(C)C(C)(F)F)CC1 ZINC001230148094 801366315 /nfs/dbraw/zinc/36/63/15/801366315.db2.gz HDULPPOYBQZXBV-UHFFFAOYSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C[C@@H](C(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC001230331887 801388011 /nfs/dbraw/zinc/38/80/11/801388011.db2.gz ILRIDKCCVSAKIA-QGZVFWFLSA-N 0 3 302.418 2.183 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCc2cccs2)C1 ZINC001210930107 801489171 /nfs/dbraw/zinc/48/91/71/801489171.db2.gz HWNLSGPLERGTGK-GDBMZVCRSA-N 0 3 322.474 2.320 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)COc2ccccc2)C1 ZINC001211053979 801505781 /nfs/dbraw/zinc/50/57/81/801505781.db2.gz FGAHFYJZBWWTTJ-HLLBOEOZSA-N 0 3 302.418 2.324 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)COc2ccccc2)C1 ZINC001211066313 801506983 /nfs/dbraw/zinc/50/69/83/801506983.db2.gz HFSHIYSFWFCCFU-SOLBZPMBSA-N 0 3 314.429 2.161 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001211355225 801553077 /nfs/dbraw/zinc/55/30/77/801553077.db2.gz PNBOPWJBMBYZHE-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(C)cncc2C)[C@H](OC)C1 ZINC001213160593 801579579 /nfs/dbraw/zinc/57/95/79/801579579.db2.gz ZJKRSVLQFITITL-HZPDHXFCSA-N 0 3 317.433 2.094 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001231240454 801614346 /nfs/dbraw/zinc/61/43/46/801614346.db2.gz KMFXUDDNHYBNDT-FUHWJXTLSA-N 0 3 314.429 2.409 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NCC#Cc1ccccc1 ZINC001214035948 801667700 /nfs/dbraw/zinc/66/77/00/801667700.db2.gz HHPRTVWQILOCFH-GDBMZVCRSA-N 0 3 302.393 2.223 20 30 DEEDHN COCCCN1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115472 801796818 /nfs/dbraw/zinc/79/68/18/801796818.db2.gz QLWDQJNBGYJNCN-UHFFFAOYSA-N 0 3 307.825 2.366 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001215436153 801861928 /nfs/dbraw/zinc/86/19/28/801861928.db2.gz GTUDKHBAYYMULC-OWCLPIDISA-N 0 3 323.481 2.035 20 30 DEEDHN Cc1ccc(CN2CCN(CCC(C)(C)O)CC2)c(C#N)c1 ZINC001232968593 801992141 /nfs/dbraw/zinc/99/21/41/801992141.db2.gz KFKOTGWTULZZAS-UHFFFAOYSA-N 0 3 301.434 2.145 20 30 DEEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H](C)C#N)[C@H]2C1 ZINC001217555397 802085272 /nfs/dbraw/zinc/08/52/72/802085272.db2.gz VLDQLMWZUZPBSX-OWCLPIDISA-N 0 3 307.438 2.028 20 30 DEEDHN C#CCCCCC(=O)N1CCO[C@@H]2CN(CC/C=C\CC)C[C@@H]21 ZINC001217669587 802095915 /nfs/dbraw/zinc/09/59/15/802095915.db2.gz KVWKGWRXPUIPAL-PZFPIALWSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3[nH]ccc3C)[C@H]2C1 ZINC001217743802 802109594 /nfs/dbraw/zinc/10/95/94/802109594.db2.gz GTJDFAXZXYCXKP-OWCLPIDISA-N 0 3 317.433 2.203 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217844147 802116193 /nfs/dbraw/zinc/11/61/93/802116193.db2.gz QBSXDZFLHIGLJK-YESZJQIVSA-N 0 3 318.461 2.302 20 30 DEEDHN CN(CCCNC(=O)c1ccc[nH]1)Cc1ccc(C#N)c(F)c1 ZINC001233874271 802231823 /nfs/dbraw/zinc/23/18/23/802231823.db2.gz RIGOXVBOMSFYDJ-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC1OCCCO1 ZINC001233914649 802241139 /nfs/dbraw/zinc/24/11/39/802241139.db2.gz CQZXZHVRVIYUHF-MRXNPFEDSA-N 0 3 324.465 2.419 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cncnc1 ZINC001234020613 802269147 /nfs/dbraw/zinc/26/91/47/802269147.db2.gz JNOKKXGNOIBPES-QGZVFWFLSA-N 0 3 316.449 2.298 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(Cc2cccc3ccccc32)C[C@@H]1O ZINC001219333370 802312538 /nfs/dbraw/zinc/31/25/38/802312538.db2.gz XZLZLQCSVNNKMU-MOPGFXCFSA-N 0 3 324.424 2.467 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](O)C1 ZINC001219415661 802325364 /nfs/dbraw/zinc/32/53/64/802325364.db2.gz COWDHZVJWCYBDD-WKULXVSPSA-N 0 3 320.477 2.330 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 ZINC001219434922 802329191 /nfs/dbraw/zinc/32/91/91/802329191.db2.gz QNEPVTCREJBUBZ-CVEARBPZSA-N 0 3 307.438 2.068 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCC1=CCCCC1 ZINC001234265075 802337492 /nfs/dbraw/zinc/33/74/92/802337492.db2.gz GWFQFOYIDJBANY-SJLPKXTDSA-N 0 3 318.461 2.448 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@@H](C)SC)[C@@H](O)C1 ZINC001219476079 802337613 /nfs/dbraw/zinc/33/76/13/802337613.db2.gz NXOZHJUEIZKSLF-KFWWJZLASA-N 0 3 316.511 2.260 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001234266631 802339850 /nfs/dbraw/zinc/33/98/50/802339850.db2.gz RMFUORQRBNTAJF-WBVHZDCISA-N 0 3 306.450 2.138 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccncc2C)[C@@H](O)C1 ZINC001219570093 802347918 /nfs/dbraw/zinc/34/79/18/802347918.db2.gz VJGZSVKPCVVHTL-SJORKVTESA-N 0 3 319.449 2.135 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@@H]1O ZINC001219715508 802372874 /nfs/dbraw/zinc/37/28/74/802372874.db2.gz BPAUIPYXQJOIKW-MSOLQXFVSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001234500394 802395464 /nfs/dbraw/zinc/39/54/64/802395464.db2.gz SYJDHURDQJCCHA-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C[NH+](C)[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234514014 802398366 /nfs/dbraw/zinc/39/83/66/802398366.db2.gz QQDWFMBSNHUVRN-JOCQHMNTSA-N 0 3 312.373 2.459 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](O)C1 ZINC001220044491 802405447 /nfs/dbraw/zinc/40/54/47/802405447.db2.gz JPQSIJMRLRAFIG-OLZOCXBDSA-N 0 3 318.408 2.185 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001220141318 802415445 /nfs/dbraw/zinc/41/54/45/802415445.db2.gz PBXCDZATYBXRER-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@@H](C=C)CC)[C@@H](O)C1 ZINC001220205732 802427410 /nfs/dbraw/zinc/42/74/10/802427410.db2.gz KOAGKQMIWNIWPW-BBWFWOEESA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CCN1CCCF)OCC ZINC001234640603 802438597 /nfs/dbraw/zinc/43/85/97/802438597.db2.gz AKHCDDSGLSLOAF-HUUCEWRRSA-N 0 3 300.418 2.250 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)CC1 ZINC001220289823 802439551 /nfs/dbraw/zinc/43/95/51/802439551.db2.gz DYQHBFNUJYKDDO-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220293377 802441280 /nfs/dbraw/zinc/44/12/80/802441280.db2.gz FPJGUAOFGWBAIS-RYRKJORJSA-N 0 3 320.477 2.330 20 30 DEEDHN C#Cc1ccc(CNC(=O)[C@H](COCc2ccccc2)NC)cc1 ZINC001220381370 802451218 /nfs/dbraw/zinc/45/12/18/802451218.db2.gz IBRVRWAPHMPRTQ-IBGZPJMESA-N 0 3 322.408 2.089 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC23CCC3)[C@@H](O)C1 ZINC001220430267 802458936 /nfs/dbraw/zinc/45/89/36/802458936.db2.gz POKKBAUJSUVYKY-OAGGEKHMSA-N 0 3 308.466 2.308 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001220821906 802502421 /nfs/dbraw/zinc/50/24/21/802502421.db2.gz KCWYNQKJYZFZRG-WQVCFCJDSA-N 0 3 322.836 2.470 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001220931347 802513079 /nfs/dbraw/zinc/51/30/79/802513079.db2.gz PIMZXOPKDUAMLF-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCC=C)C[C@@H]2O)CCCCC1 ZINC001221129495 802532360 /nfs/dbraw/zinc/53/23/60/802532360.db2.gz HFJBWPVOCCQMJS-SJORKVTESA-N 0 3 318.461 2.088 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(CCCCCF)C[C@H]32)c1 ZINC001221468574 802578341 /nfs/dbraw/zinc/57/83/41/802578341.db2.gz XHXVWTJHEPABBM-GDBMZVCRSA-N 0 3 318.396 2.172 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3cc(OCC)no3)[C@@H]2C1 ZINC001221693495 802603653 /nfs/dbraw/zinc/60/36/53/802603653.db2.gz UPLHTLPWYIQZJR-ZIAGYGMSSA-N 0 3 319.405 2.186 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001222068753 802636840 /nfs/dbraw/zinc/63/68/40/802636840.db2.gz XIFZXRHLGKGKOR-KBPBESRZSA-N 0 3 323.462 2.123 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001222636802 802720242 /nfs/dbraw/zinc/72/02/42/802720242.db2.gz QFSBMCSGSKUHBH-CYBMUJFWSA-N 0 3 303.381 2.314 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCCc2ncc(C)o2)CC1 ZINC001223411834 802788258 /nfs/dbraw/zinc/78/82/58/802788258.db2.gz MNYCAYYXHOMSIE-UHFFFAOYSA-N 0 3 317.433 2.157 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2ccc(F)cc2F)CC1 ZINC001225056461 802932273 /nfs/dbraw/zinc/93/22/73/802932273.db2.gz XUXOICVKKAYODN-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001225103769 802935861 /nfs/dbraw/zinc/93/58/61/802935861.db2.gz XYGLZLQSIWBQEK-QZTJIDSGSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)(C)CC ZINC001225275838 802949090 /nfs/dbraw/zinc/94/90/90/802949090.db2.gz SJNMZBQYYZFJTC-HUUCEWRRSA-N 0 3 323.481 2.274 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1n[nH]c(C)n1 ZINC001225307580 802953879 /nfs/dbraw/zinc/95/38/79/802953879.db2.gz LMFQGEHAIAOTCP-IACUBPJLSA-N 0 3 305.426 2.157 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2cccc(CC)c2)CC1 ZINC001225349841 802957596 /nfs/dbraw/zinc/95/75/96/802957596.db2.gz VWARXFKMDXUEDP-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)Oc2cccc(C)c2)CC1 ZINC001225356043 802957673 /nfs/dbraw/zinc/95/76/73/802957673.db2.gz BQRBYPWEOWQSJR-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2cc(C)cc(C)c2)CC1 ZINC001225417653 802963527 /nfs/dbraw/zinc/96/35/27/802963527.db2.gz KUUIYKYJTQROQM-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C=CCCOCC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001225611362 802990584 /nfs/dbraw/zinc/99/05/84/802990584.db2.gz PVMLPNYTHCZDJL-UHFFFAOYSA-N 0 3 317.433 2.003 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001225752585 803009727 /nfs/dbraw/zinc/00/97/27/803009727.db2.gz 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CCCc1nc(C)c(CN[C@@H](C)CCNC(=O)[C@H](C)C#N)o1 ZINC001418394672 1167624668 /nfs/dbraw/zinc/62/46/68/1167624668.db2.gz KPUYADXFIDXVHO-NEPJUHHUSA-N 0 3 306.410 2.080 20 30 DEEDHN COc1cccc2c1OCCC[C@H]2NC(=O)[C@@H](N)CCCC#N ZINC001330968453 1149349514 /nfs/dbraw/zinc/34/95/14/1149349514.db2.gz CSYDQKDKLMGHRW-UONOGXRCSA-N 0 3 317.389 2.046 20 30 DEEDHN Cc1nc(CN[C@H](CCNC(=O)C#CC(C)C)C(C)C)co1 ZINC001331200834 1149396130 /nfs/dbraw/zinc/39/61/30/1149396130.db2.gz YIBZJNVNRWVMQR-MRXNPFEDSA-N 0 3 305.422 2.263 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CC(OCC)C1)C1CC1 ZINC001419343534 1168413599 /nfs/dbraw/zinc/41/35/99/1168413599.db2.gz HDIPIRALHHAZDG-PXCJXSSVSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NC(=O)CN(CC)CC)C1 ZINC001335521467 1150441691 /nfs/dbraw/zinc/44/16/91/1150441691.db2.gz HOLXQUDNFBHRHM-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)CCCc1ccccc1 ZINC001331544226 1149522728 /nfs/dbraw/zinc/52/27/28/1149522728.db2.gz OXBQDBUBOXEWLN-QGZVFWFLSA-N 0 3 316.445 2.096 20 30 DEEDHN C=CCCC(=O)NC[C@H](CO)NCc1c(C)cc(C)cc1C ZINC001331684784 1149599926 /nfs/dbraw/zinc/59/99/26/1149599926.db2.gz PUWFBBFIUZLTAT-MRXNPFEDSA-N 0 3 304.434 2.145 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CN3CCC2CC3)cc1 ZINC001336082341 1150619273 /nfs/dbraw/zinc/61/92/73/1150619273.db2.gz SKJDWGINTZUQIR-KRWDZBQOSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC001343633285 1150758564 /nfs/dbraw/zinc/75/85/64/1150758564.db2.gz DDUWTLMXDDTBCC-LLVKDONJSA-N 0 3 318.343 2.081 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC001574971798 1069315113 /nfs/dbraw/zinc/31/51/13/1069315113.db2.gz IQCHAANAXHLVQL-AWEZNQCLSA-N 0 3 303.793 2.221 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2cccc(F)c2)CC1 ZINC001522344070 1069343977 /nfs/dbraw/zinc/34/39/77/1069343977.db2.gz SLMCAQBUMMDENC-MRXNPFEDSA-N 0 3 305.397 2.158 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001522859819 1069487721 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C#CCNC[C@H](NC(=O)[C@@H](C)C#N)c1ccc2ccccc2c1 ZINC001500060250 1058459499 /nfs/dbraw/zinc/45/94/99/1058459499.db2.gz NXWZLLWINRSWCV-KSSFIOAISA-N 0 3 305.381 2.380 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2cccc(F)c2F)C1 ZINC001500253656 1058642348 /nfs/dbraw/zinc/64/23/48/1058642348.db2.gz JLBUXLFZKAAZPU-QGZVFWFLSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001500294592 1058672432 /nfs/dbraw/zinc/67/24/32/1058672432.db2.gz AKLRODGVHHGBBR-MJGOQNOKSA-N 0 3 314.429 2.368 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001500454137 1058796829 /nfs/dbraw/zinc/79/68/29/1058796829.db2.gz DDGTVYPPNPLWAN-DLBZAZTESA-N 0 3 320.477 2.147 20 30 DEEDHN CCOC(=O)[C@]12CCC[C@@H]1C[C@H](NCC1(C#N)CCOCC1)C2 ZINC001462656090 1058874003 /nfs/dbraw/zinc/87/40/03/1058874003.db2.gz SRCLXJAAWVJQGL-VKJFTORMSA-N 0 3 320.433 2.408 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(CCC=C)cc1 ZINC001463791867 1059025428 /nfs/dbraw/zinc/02/54/28/1059025428.db2.gz 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C=C(C)[C@H](CC(=O)N[C@@H]1CCCN(CC#CC)CC1)OCC ZINC001502124036 1059967111 /nfs/dbraw/zinc/96/71/11/1059967111.db2.gz JKEBSSPYPOTPIU-SJORKVTESA-N 0 3 306.450 2.352 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)C2CCC(F)CC2)CC1 ZINC001502135349 1059979644 /nfs/dbraw/zinc/97/96/44/1059979644.db2.gz IXUZNDLKIKFOOD-JCYILVPMSA-N 0 3 324.440 2.135 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001534122278 1071932020 /nfs/dbraw/zinc/93/20/20/1071932020.db2.gz JNWIFRANLCODHU-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)CCc1ccccc1 ZINC001502392438 1060103709 /nfs/dbraw/zinc/10/37/09/1060103709.db2.gz HOYIGMDMWQNWDB-UHFFFAOYSA-N 0 3 316.445 2.049 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001327257380 1148505039 /nfs/dbraw/zinc/50/50/39/1148505039.db2.gz DTXQCJAYGFDTIC-INIZCTEOSA-N 0 3 308.466 2.243 20 30 DEEDHN C=CCC1(C(=O)N2CCN(C3CN(CCCC)C3)CC2)CCC1 ZINC001502845665 1060353682 /nfs/dbraw/zinc/35/36/82/1060353682.db2.gz NTPVDDABDQAOSK-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc4ccccc4[nH]c3=O)C2)C1 ZINC001472130021 1060425863 /nfs/dbraw/zinc/42/58/63/1060425863.db2.gz BGRIMVDZAWLNCX-UHFFFAOYSA-N 0 3 323.396 2.274 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001505506591 1060664932 /nfs/dbraw/zinc/66/49/32/1060664932.db2.gz COIRZMDWHMVQSA-PXCJXSSVSA-N 0 3 320.820 2.227 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001505594250 1060755653 /nfs/dbraw/zinc/75/56/53/1060755653.db2.gz FIWKHVHESTXPFG-CVEARBPZSA-N 0 3 314.404 2.464 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cnc(OC)nc1C ZINC001505614148 1060779008 /nfs/dbraw/zinc/77/90/08/1060779008.db2.gz PAGWAPFRNCMDDB-CHWSQXEVSA-N 0 3 320.437 2.133 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)CCO[C@@H]1CC1(F)F ZINC001505976635 1061196374 /nfs/dbraw/zinc/19/63/74/1061196374.db2.gz PWJNIJABPQQJPL-CHWSQXEVSA-N 0 3 318.408 2.449 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCn1nc(C)cc1C ZINC001505978561 1061199947 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CC#CCN(CCCNC(=O)c1nc(Cl)cs1)C1CC1 ZINC001479875305 1061969967 /nfs/dbraw/zinc/96/99/67/1061969967.db2.gz TXSUTXIMNNWZFU-UHFFFAOYSA-N 0 3 311.838 2.404 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC001479903573 1062023254 /nfs/dbraw/zinc/02/32/54/1062023254.db2.gz YNQMAGNXPSWFOQ-GJZGRUSLSA-N 0 3 310.388 2.416 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001479921554 1062053565 /nfs/dbraw/zinc/05/35/65/1062053565.db2.gz XLLKGICHDRSREA-KRWDZBQOSA-N 0 3 319.493 2.267 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001479939269 1062068266 /nfs/dbraw/zinc/06/82/66/1062068266.db2.gz ZZUCVSYVIMJWIX-MRXNPFEDSA-N 0 3 319.449 2.001 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001479956236 1062103767 /nfs/dbraw/zinc/10/37/67/1062103767.db2.gz ASBNPKRDYISXCP-SFHVURJKSA-N 0 3 316.445 2.185 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)C(C)C)CC1 ZINC001479980832 1062142224 /nfs/dbraw/zinc/14/22/24/1062142224.db2.gz JZHYQGNAZJCJTJ-MRXNPFEDSA-N 0 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C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001506902992 1062491844 /nfs/dbraw/zinc/49/18/44/1062491844.db2.gz HXNCJBASKKYNAT-MGPQQGTHSA-N 0 3 323.824 2.086 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)COc2ccccc2)C1 ZINC001506902732 1062492419 /nfs/dbraw/zinc/49/24/19/1062492419.db2.gz LIABQBZFXHYKPA-HDJSIYSDSA-N 0 3 308.809 2.302 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnc2n1CCC2 ZINC001506927352 1062537766 /nfs/dbraw/zinc/53/77/66/1062537766.db2.gz SISQFHZTIJPWFG-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)c1ncccn1 ZINC001506944361 1062568854 /nfs/dbraw/zinc/56/88/54/1062568854.db2.gz RNZIQVHNXKFORL-AWEZNQCLSA-N 0 3 323.400 2.037 20 30 DEEDHN C=CCOCC[N@@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001506954849 1062584110 /nfs/dbraw/zinc/58/41/10/1062584110.db2.gz YOWOQGFGXZENQA-UHFFFAOYSA-N 0 3 318.417 2.131 20 30 DEEDHN C=CCOCC[N@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001506954849 1062584127 /nfs/dbraw/zinc/58/41/27/1062584127.db2.gz 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CC#CCN[C@H](C)CN(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001507135973 1062898704 /nfs/dbraw/zinc/89/87/04/1062898704.db2.gz JFCRRRPEWQJFQP-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN C[C@H](CNC(=O)C1(CCF)CC1)NCc1ccc(C#N)s1 ZINC001480508023 1062962663 /nfs/dbraw/zinc/96/26/63/1062962663.db2.gz BOGNVFXTCUWIKS-LLVKDONJSA-N 0 3 309.410 2.354 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CO)N[C@@H](C)c1ccccc1 ZINC001507208777 1062972112 /nfs/dbraw/zinc/97/21/12/1062972112.db2.gz VMWCEZLOEIGGGF-GOEBONIOSA-N 0 3 304.434 2.417 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N[C@H](C)C(=O)N1CCCCC1 ZINC001480542733 1063007682 /nfs/dbraw/zinc/00/76/82/1063007682.db2.gz FDDNRCJFRWLQAR-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(C)F ZINC001507270501 1063009599 /nfs/dbraw/zinc/00/95/99/1063009599.db2.gz RDPAPJCCAPJZDU-GOEBONIOSA-N 0 3 302.393 2.365 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCCc2csc(C)n2)C1 ZINC001507309451 1063071581 /nfs/dbraw/zinc/07/15/81/1063071581.db2.gz 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C=CCCN(C)CCN(C(=O)c1cc(=O)c(OC)co1)C(C)C ZINC001507815119 1063427015 /nfs/dbraw/zinc/42/70/15/1063427015.db2.gz BRXHMCMUBHBNDD-UHFFFAOYSA-N 0 3 322.405 2.007 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](NC(=O)/C=C(\C)CC)C(C)(C)C ZINC001507931994 1063471254 /nfs/dbraw/zinc/47/12/54/1063471254.db2.gz IPOVVUXIIWZZOL-CYAURGIBSA-N 0 3 323.481 2.154 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)Cc2cc(F)ccc2F)CC1 ZINC001508082918 1063544484 /nfs/dbraw/zinc/54/44/84/1063544484.db2.gz LHSPIKFWIIPANJ-ZDUSSCGKSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCC(=O)N(C)C1CC(NCc2cc(OC)ns2)C1 ZINC001508099877 1063553707 /nfs/dbraw/zinc/55/37/07/1063553707.db2.gz WYHNSVBQNLVGAM-UHFFFAOYSA-N 0 3 309.435 2.197 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCc2ccccc2OC)C1 ZINC001493259012 1063674718 /nfs/dbraw/zinc/67/47/18/1063674718.db2.gz QUTZHSLVPWJWDV-INIZCTEOSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1c(C)noc1Cl ZINC001493320814 1063717224 /nfs/dbraw/zinc/71/72/24/1063717224.db2.gz ALJYSDAHHCMAIP-UHFFFAOYSA-N 0 3 311.813 2.030 20 30 DEEDHN CC#CCCCC(=O)NCCN(C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC001493400583 1063773440 /nfs/dbraw/zinc/77/34/40/1063773440.db2.gz BWSOKAVSWUTWSZ-NVXWUHKLSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN(CCNC(=O)c1ccnc(OC(C)C)c1)C1CC1 ZINC001493436147 1063794051 /nfs/dbraw/zinc/79/40/51/1063794051.db2.gz QZFCDKQBQCVPNA-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CC1(C)C ZINC001493520506 1063846135 /nfs/dbraw/zinc/84/61/35/1063846135.db2.gz GYOOXCRYXLPPTR-AWEZNQCLSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC001493894968 1064013797 /nfs/dbraw/zinc/01/37/97/1064013797.db2.gz NIODMMSOSCWNAB-INIZCTEOSA-N 0 3 310.401 2.145 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCC=C ZINC001493914063 1064020367 /nfs/dbraw/zinc/02/03/67/1064020367.db2.gz NLIDYUDGPYGIPC-KURKYZTESA-N 0 3 318.461 2.446 20 30 DEEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(C[C@@H](C)O)C2)CC1 ZINC001493959994 1064042899 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COCC#CCN1CCC[C@@H](NC(=O)c2ccccc2C)CC1 ZINC001570168804 1065947916 /nfs/dbraw/zinc/94/79/16/1065947916.db2.gz LAYXXYGUJSQGER-QGZVFWFLSA-N 0 3 314.429 2.229 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2CCCN(CC#C)CC2)cc1 ZINC001570175237 1065952076 /nfs/dbraw/zinc/95/20/76/1065952076.db2.gz RHTRCMMBLHLQSU-GOSISDBHSA-N 0 3 324.424 2.306 20 30 DEEDHN C=C[C@H](O)C(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001627552980 1078278740 /nfs/dbraw/zinc/27/87/40/1078278740.db2.gz FIERVMAGFWOCTI-MSOLQXFVSA-N 0 3 316.445 2.437 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCc1ccc2c(c1)CN(CCCC)C2 ZINC001570312385 1066013115 /nfs/dbraw/zinc/01/31/15/1066013115.db2.gz CRBAIEWBIPPJHO-HNNXBMFYSA-N 0 3 314.429 2.457 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)CCOC)C(C)(C)C1 ZINC001570398118 1066050648 /nfs/dbraw/zinc/05/06/48/1066050648.db2.gz WBFWHKIXDOGLNR-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C(C)(C)C1 ZINC001570399864 1066051829 /nfs/dbraw/zinc/05/18/29/1066051829.db2.gz MHZJWGDGJDGTJF-RYUDHWBXSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC001570403949 1066054458 /nfs/dbraw/zinc/05/44/58/1066054458.db2.gz HOQFHPRPFAIRDT-SJORKVTESA-N 0 3 321.509 2.462 20 30 DEEDHN Cc1ccncc1CN1CC[C@@H](NC(=O)C#CC2CC2)C[C@H]1C ZINC001570434633 1066066853 /nfs/dbraw/zinc/06/68/53/1066066853.db2.gz MSCPEIYPVNVRSS-CRAIPNDOSA-N 0 3 311.429 2.273 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001497798276 1066323638 /nfs/dbraw/zinc/32/36/38/1066323638.db2.gz USPNTMNKAQBSPL-GHMZBOCLSA-N 0 3 311.476 2.213 20 30 DEEDHN CC1(C)CCc2onc(CNC(=O)[C@@H](N)CCCCC#N)c2C1 ZINC001576446181 1066609176 /nfs/dbraw/zinc/60/91/76/1066609176.db2.gz KVPCCRONYOZJLJ-ZDUSSCGKSA-N 0 3 318.421 2.217 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)CCc1ccccc1F ZINC001498277644 1066610934 /nfs/dbraw/zinc/61/09/34/1066610934.db2.gz WMCGLUHATPWZAL-HNNXBMFYSA-N 0 3 304.409 2.464 20 30 DEEDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC001576879158 1066709106 /nfs/dbraw/zinc/70/91/06/1066709106.db2.gz LVUCVNBJQQYZNA-RWMBFGLXSA-N 0 3 303.431 2.248 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)Oc1ccccn1 ZINC001498641521 1066815718 /nfs/dbraw/zinc/81/57/18/1066815718.db2.gz FUOVPSXESZYAFN-ZDUSSCGKSA-N 0 3 311.813 2.040 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC001577426769 1066839868 /nfs/dbraw/zinc/83/98/68/1066839868.db2.gz WLHYVWNJWGIGFJ-KFWWJZLASA-N 0 3 316.511 2.432 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC(C)C)cn1 ZINC001634641101 1078434496 /nfs/dbraw/zinc/43/44/96/1078434496.db2.gz VZHHHLILIPUVNM-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1Cc2ccccc2O1 ZINC001634646293 1078434912 /nfs/dbraw/zinc/43/49/12/1078434912.db2.gz LMWQNXNPAKVQCW-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001634646905 1078435224 /nfs/dbraw/zinc/43/52/24/1078435224.db2.gz UIQFFTPHWWWHQP-MRXNPFEDSA-N 0 3 306.454 2.437 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc(OC)cc1C ZINC001498986602 1067001295 /nfs/dbraw/zinc/00/12/95/1067001295.db2.gz QKLBPDGVEXNMCY-INIZCTEOSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1c(C)ncn1C ZINC001498998053 1067011172 /nfs/dbraw/zinc/01/11/72/1067011172.db2.gz NBLAIEJVSLJMGE-HNNXBMFYSA-N 0 3 304.438 2.279 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001499000896 1067011772 /nfs/dbraw/zinc/01/17/72/1067011772.db2.gz XTUMHTJHXSECMZ-QGZVFWFLSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001499012026 1067025322 /nfs/dbraw/zinc/02/53/22/1067025322.db2.gz FMDHHIFVAUNUSN-ZIAGYGMSSA-N 0 3 316.449 2.447 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2sc(C)nc2C)CC1 ZINC001499212273 1067144384 /nfs/dbraw/zinc/14/43/84/1067144384.db2.gz KCUAPDLCEMYOHD-UHFFFAOYSA-N 0 3 305.447 2.302 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1c[nH]c2ccccc21 ZINC001483360139 1078480512 /nfs/dbraw/zinc/48/05/12/1078480512.db2.gz XTOJWIGREWPCOR-CQSZACIVSA-N 0 3 315.417 2.421 20 30 DEEDHN COc1cc(NC(C)=O)ccc1NC(=O)[C@H](N)CCCCC#N ZINC001579167019 1067248019 /nfs/dbraw/zinc/24/80/19/1067248019.db2.gz VWMLTWLFFNKEPS-CYBMUJFWSA-N 0 3 318.377 2.003 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC001499538644 1067249823 /nfs/dbraw/zinc/24/98/23/1067249823.db2.gz IVNPCXQXYNRNKI-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN COc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC001579240413 1067268356 /nfs/dbraw/zinc/26/83/56/1067268356.db2.gz WNRGJAYUFVRGMO-HRCADAONSA-N 0 3 301.390 2.079 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001483402277 1078510933 /nfs/dbraw/zinc/51/09/33/1078510933.db2.gz FRHJREXOYNMOOT-JQWIXIFHSA-N 0 3 324.856 2.337 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 ZINC001267026770 1078512949 /nfs/dbraw/zinc/51/29/49/1078512949.db2.gz UVZFYPVBQDPPCA-HNNXBMFYSA-N 0 3 306.356 2.111 20 30 DEEDHN Cc1cc([C@@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)c(C)o1 ZINC001579567880 1067371936 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C=CCN(C)C[C@H]1CCCN1C(=O)c1csc2cncn21 ZINC001570541983 1067995451 /nfs/dbraw/zinc/99/54/51/1067995451.db2.gz NFKOROOKRORTFC-GFCCVEGCSA-N 0 3 304.419 2.118 20 30 DEEDHN CC#CCCCC(=O)NC1CC(CNCc2oc(C)nc2C)C1 ZINC001570569797 1068012834 /nfs/dbraw/zinc/01/28/34/1068012834.db2.gz YHOXMIHLNYNSDV-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COc2ccc(C)cc2C)C1 ZINC001671689068 1078633017 /nfs/dbraw/zinc/63/30/17/1078633017.db2.gz MVFJFHRHFSMNRK-SFHVURJKSA-N 0 3 302.418 2.449 20 30 DEEDHN Cc1nc(CCN(C)[C@@H](C)CNC(=O)C#CC(C)C)cs1 ZINC001570708245 1068081487 /nfs/dbraw/zinc/08/14/87/1068081487.db2.gz FJXARIGKZJSDCJ-ZDUSSCGKSA-N 0 3 307.463 2.090 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(CF)cc1 ZINC001570711399 1068083500 /nfs/dbraw/zinc/08/35/00/1068083500.db2.gz ZSWISMPSXLNGKN-CABCVRRESA-N 0 3 320.408 2.131 20 30 DEEDHN C=C(Cl)CNCCCOC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001570783356 1068117023 /nfs/dbraw/zinc/11/70/23/1068117023.db2.gz MBQKCEDWKKBUQX-WFASDCNBSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CN(CCn2cccn2)CC1(C)C ZINC001570902411 1068156309 /nfs/dbraw/zinc/15/63/09/1068156309.db2.gz RTPRLTPIKABRQO-CVEARBPZSA-N 0 3 318.465 2.312 20 30 DEEDHN C#CCN1C[C@@H]2C(CNC(=O)CC/C=C\c3ccccc3)[C@@H]2C1 ZINC001570951724 1068164686 /nfs/dbraw/zinc/16/46/86/1068164686.db2.gz ATJQZQBOHIWDRN-YBGXRFLASA-N 0 3 308.425 2.407 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)NC/C=C/Cl)C1 ZINC001570987585 1068170349 /nfs/dbraw/zinc/17/03/49/1068170349.db2.gz SRMWSSWBIAMWBH-VWWYUBIBSA-N 0 3 300.830 2.157 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001267209848 1078668140 /nfs/dbraw/zinc/66/81/40/1078668140.db2.gz OJIGAMYAOITHEY-MRXNPFEDSA-N 0 3 302.418 2.404 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cn1cc(Cl)cn1 ZINC001571314844 1068215853 /nfs/dbraw/zinc/21/58/53/1068215853.db2.gz NMRIASIEVDRATE-NSHDSACASA-N 0 3 319.236 2.164 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001571390530 1068270597 /nfs/dbraw/zinc/27/05/97/1068270597.db2.gz IDZOELGILRNVHF-YOEHRIQHSA-N 0 3 314.429 2.185 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1cn(C)nc1C ZINC001571404654 1068278628 /nfs/dbraw/zinc/27/86/28/1068278628.db2.gz PTOAQDRWNDFCLW-DYVFJYSZSA-N 0 3 306.454 2.267 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1cc(Cl)cs1 ZINC001571407718 1068279650 /nfs/dbraw/zinc/27/96/50/1068279650.db2.gz CSUKKWDVPYMRNT-NSHDSACASA-N 0 3 314.838 2.101 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)c1ccc[nH]1 ZINC001571471416 1068322556 /nfs/dbraw/zinc/32/25/56/1068322556.db2.gz RATVXZZHEZEKJB-RDJZCZTQSA-N 0 3 307.397 2.259 20 30 DEEDHN CCOCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001571472502 1068323789 /nfs/dbraw/zinc/32/37/89/1068323789.db2.gz FDXHGFWNFVEESV-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001571486735 1068342324 /nfs/dbraw/zinc/34/23/24/1068342324.db2.gz IPZAXSFOBDHMND-DGCLKSJQSA-N 0 3 324.346 2.249 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001571486737 1068343084 /nfs/dbraw/zinc/34/30/84/1068343084.db2.gz IPZAXSFOBDHMND-YPMHNXCESA-N 0 3 324.346 2.249 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001409839906 1078697838 /nfs/dbraw/zinc/69/78/38/1078697838.db2.gz KLSKEZCJCKWUHD-STQMWFEESA-N 0 3 310.401 2.264 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001409839885 1078698158 /nfs/dbraw/zinc/69/81/58/1078698158.db2.gz KLSKEZCJCKWUHD-OLZOCXBDSA-N 0 3 310.401 2.264 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)c3ccncc3)CCC[C@H]12 ZINC001571501378 1068359990 /nfs/dbraw/zinc/35/99/90/1068359990.db2.gz PYHKQVABNWACKL-HHXXYDBFSA-N 0 3 311.429 2.322 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001571607949 1068436172 /nfs/dbraw/zinc/43/61/72/1068436172.db2.gz VLQYGLYVKUNFHF-GJZGRUSLSA-N 0 3 322.424 2.256 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001571654369 1068462817 /nfs/dbraw/zinc/46/28/17/1068462817.db2.gz YGHUYWYONHFIRU-OOHWJJMZSA-N 0 3 316.470 2.369 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)C(C)=C2CCC2)CC1 ZINC001571687083 1068482403 /nfs/dbraw/zinc/48/24/03/1068482403.db2.gz SNASNPQBEUJRFI-UHFFFAOYSA-N 0 3 304.434 2.438 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001514597423 1068741216 /nfs/dbraw/zinc/74/12/16/1068741216.db2.gz RZICQFDMQRPRJB-PMPSAXMXSA-N 0 3 307.438 2.063 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CC1 ZINC001267338113 1078775267 /nfs/dbraw/zinc/77/52/67/1078775267.db2.gz QBVDHIHMGXWMNR-UHFFFAOYSA-N 0 3 314.389 2.358 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(NC(C)=O)ccc1F)C1CC1 ZINC001267337822 1078776485 /nfs/dbraw/zinc/77/64/85/1078776485.db2.gz JSMADAPJLKILRR-UHFFFAOYSA-N 0 3 319.380 2.164 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001267353602 1078788654 /nfs/dbraw/zinc/78/86/54/1078788654.db2.gz URUIQLXRMMNZFY-INIZCTEOSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCC[C@@H]1CCCN1c1nc(NCCO)nc(NC(C)C)n1 ZINC001516125668 1068912711 /nfs/dbraw/zinc/91/27/11/1068912711.db2.gz HBWMUSDHHAXKBZ-CYBMUJFWSA-N 0 3 320.441 2.031 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cn(C)nc1-c1ccco1 ZINC001517046936 1068951224 /nfs/dbraw/zinc/95/12/24/1068951224.db2.gz QQAMIWXKFVFWIC-LLVKDONJSA-N 0 3 309.329 2.387 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc2c(c1)COC2 ZINC001483697185 1078816918 /nfs/dbraw/zinc/81/69/18/1078816918.db2.gz QQVMBQGMDMIPBS-QGZVFWFLSA-N 0 3 300.402 2.026 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN[C@@H](C)C(=O)NC1CCCC1 ZINC001267424674 1078844765 /nfs/dbraw/zinc/84/47/65/1078844765.db2.gz YHTIOCDDBINMNL-KSSFIOAISA-N 0 3 323.481 2.084 20 30 DEEDHN COCC[C@H](N)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001573974005 1069138740 /nfs/dbraw/zinc/13/87/40/1069138740.db2.gz DKNDJUURBSWHDR-GJZGRUSLSA-N 0 3 303.406 2.029 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2csc(C)c2)cn1 ZINC001267457864 1078866235 /nfs/dbraw/zinc/86/62/35/1078866235.db2.gz YBNGTDAQYHUJLN-UHFFFAOYSA-N 0 3 313.426 2.295 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(OC)nc2)C1 ZINC001267465851 1078878142 /nfs/dbraw/zinc/87/81/42/1078878142.db2.gz JWNXAWKZOZKVBX-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1nc2cc(OC)ccc2[nH]1 ZINC001574852430 1069278176 /nfs/dbraw/zinc/27/81/76/1069278176.db2.gz SMCXKDZMKLIDJX-GXSJLCMTSA-N 0 3 322.796 2.219 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC001574903038 1069293559 /nfs/dbraw/zinc/29/35/59/1069293559.db2.gz KECPBDZRGFRBMI-NWDGAFQWSA-N 0 3 311.476 2.443 20 30 DEEDHN C#CCOCCN1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001645518406 1078906606 /nfs/dbraw/zinc/90/66/06/1078906606.db2.gz CWPOSGUPNOQEQK-INIZCTEOSA-N 0 3 308.422 2.113 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(CCC(F)(F)F)CC2 ZINC001272502688 1078933453 /nfs/dbraw/zinc/93/34/53/1078933453.db2.gz SJLOTQPORSSMBX-UHFFFAOYSA-N 0 3 302.340 2.277 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cnn3cc[nH]c23)C1 ZINC001267548993 1078980392 /nfs/dbraw/zinc/98/03/92/1078980392.db2.gz QDJGOIFQTICWMT-CQSZACIVSA-N 0 3 315.421 2.165 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001368638518 1148541654 /nfs/dbraw/zinc/54/16/54/1148541654.db2.gz SIKQMNIAYRDIFH-VHDGCEQUSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3[nH]cnc3C)CC2)C1=O ZINC001272663924 1079077305 /nfs/dbraw/zinc/07/73/05/1079077305.db2.gz BHUOIFQFZCJDLT-SFHVURJKSA-N 0 3 316.449 2.499 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)nc1 ZINC001267596325 1079113835 /nfs/dbraw/zinc/11/38/35/1079113835.db2.gz YEGHUTIXRCXGHX-WEJQMCOXSA-N 0 3 317.820 2.257 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)C#CC1CC1 ZINC001649446768 1079123370 /nfs/dbraw/zinc/12/33/70/1079123370.db2.gz HERXFVDLBFPFEQ-HNNXBMFYSA-N 0 3 312.388 2.027 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H](CNCc2cnccc2C)C1 ZINC001649458245 1079128480 /nfs/dbraw/zinc/12/84/80/1079128480.db2.gz NNNQCDBOAUTRIX-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCC(C)C ZINC001483808302 1079134950 /nfs/dbraw/zinc/13/49/50/1079134950.db2.gz XXVNOUGMKFOACY-BBWFWOEESA-N 0 3 306.450 2.136 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)OCc1ccncc1 ZINC001481058760 1079137916 /nfs/dbraw/zinc/13/79/16/1079137916.db2.gz ORYHELOQSYWRPG-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCOCc1ccccc1 ZINC001481070504 1079151703 /nfs/dbraw/zinc/15/17/03/1079151703.db2.gz GXEZGUZXQZCWAL-QGZVFWFLSA-N 0 3 302.418 2.360 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001481139413 1079246682 /nfs/dbraw/zinc/24/66/82/1079246682.db2.gz VZNXDFOUKNWDBJ-OAHLLOKOSA-N 0 3 316.449 2.246 20 30 DEEDHN C=CCN(CCNC(=O)c1cccnc1N1CCCC1)C1CC1 ZINC001481176797 1079293404 /nfs/dbraw/zinc/29/34/04/1079293404.db2.gz SUCHSAMLXZCSQN-UHFFFAOYSA-N 0 3 314.433 2.062 20 30 DEEDHN N#CC(C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21)c1nccn1Cc1ccccc1 ZINC001646840768 1074644617 /nfs/dbraw/zinc/64/46/17/1074644617.db2.gz HDYQGFIPLQQOPA-MUIFIZLQSA-N 0 3 319.364 2.333 20 30 DEEDHN C=CCN(CCNC(=O)COc1ccc(C)c(C)c1)C1CC1 ZINC001481196393 1079324583 /nfs/dbraw/zinc/32/45/83/1079324583.db2.gz DCNCNPVKPWBJNA-UHFFFAOYSA-N 0 3 302.418 2.449 20 30 DEEDHN CCC(C)(C)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001484141506 1079324618 /nfs/dbraw/zinc/32/46/18/1079324618.db2.gz DRXDZBMDBAMFCJ-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001484142910 1079325730 /nfs/dbraw/zinc/32/57/30/1079325730.db2.gz IQTIVVRNOOPJFS-UHFFFAOYSA-N 0 3 320.477 2.457 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001484166154 1079340410 /nfs/dbraw/zinc/34/04/10/1079340410.db2.gz GGLHTOMPFSRDKN-JSGCOSHPSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCC1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC001648364196 1074995675 /nfs/dbraw/zinc/99/56/75/1074995675.db2.gz SQARBGKIFFIEOU-UHFFFAOYSA-N 0 3 319.317 2.165 20 30 DEEDHN C=CCN1CCC(NC(=O)C(C)(C)c2cccc(O)c2)CC1 ZINC001565627980 1075012510 /nfs/dbraw/zinc/01/25/10/1075012510.db2.gz GNXOBKUKULNGIN-UHFFFAOYSA-N 0 3 302.418 2.436 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2csc(Cl)c2)C1 ZINC001484241143 1079365899 /nfs/dbraw/zinc/36/58/99/1079365899.db2.gz MLGOKKPGFWMXPM-CQSZACIVSA-N 0 3 314.838 2.144 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(CCn2cccn2)C1 ZINC001567920284 1075108615 /nfs/dbraw/zinc/10/86/15/1075108615.db2.gz AUKICDJFFHKYSI-DOTOQJQBSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001484245456 1079366768 /nfs/dbraw/zinc/36/67/68/1079366768.db2.gz RCNIUKWVWRJTJW-MRXNPFEDSA-N 0 3 323.462 2.009 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2C[C@@H](NCc3ccnn3C)C2)CCC1 ZINC001565850672 1075197264 /nfs/dbraw/zinc/19/72/64/1075197264.db2.gz SXKJGOYVOPLZAS-GASCZTMLSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1[C@H]2CCCN(CC#C)[C@@H]2C1(C)C ZINC001565994029 1075214166 /nfs/dbraw/zinc/21/41/66/1075214166.db2.gz ZYUZZJJMBUHNCA-NXHRZFHOSA-N 0 3 300.446 2.418 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)Cc2ccc(C)s2)C1 ZINC001566037825 1075219696 /nfs/dbraw/zinc/21/96/96/1075219696.db2.gz ZMQPLUBGBSXIEQ-HNNXBMFYSA-N 0 3 322.474 2.070 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@H]1C ZINC001566089598 1075227678 /nfs/dbraw/zinc/22/76/78/1075227678.db2.gz HSORZKXKSRGIMQ-ZNMIVQPWSA-N 0 3 304.438 2.162 20 30 DEEDHN CCCCNCc1nc2c(s1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001566125341 1075232772 /nfs/dbraw/zinc/23/27/72/1075232772.db2.gz FABKFQODCHVZTH-LLVKDONJSA-N 0 3 306.435 2.077 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C1(c2cccc(F)c2)CC1 ZINC001566496200 1075261474 /nfs/dbraw/zinc/26/14/74/1075261474.db2.gz OABFEHCKDIBRBO-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCCCN(C)C[C@H](F)CC ZINC001566512142 1075266099 /nfs/dbraw/zinc/26/60/99/1075266099.db2.gz HEXFVEJAYBFJOA-QGZVFWFLSA-N 0 3 304.409 2.397 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2cc[nH]c2C)CC1 ZINC001566607814 1075295877 /nfs/dbraw/zinc/29/58/77/1075295877.db2.gz YFEKIIGDJXYKJI-UHFFFAOYSA-N 0 3 305.422 2.062 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001566631538 1075302241 /nfs/dbraw/zinc/30/22/41/1075302241.db2.gz YPOUEPZPQJSHKI-QZTJIDSGSA-N 0 3 313.445 2.425 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN2CCN(CC/C=C\CC)CC2)C1 ZINC001566652730 1075304558 /nfs/dbraw/zinc/30/45/58/1075304558.db2.gz ZORXMLQSKIMNEM-WAYWQWQTSA-N 0 3 319.493 2.433 20 30 DEEDHN CCC(CC)CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001566694235 1075319609 /nfs/dbraw/zinc/31/96/09/1075319609.db2.gz CGGCKFRTEDRLAR-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2cnnc(C)c2)CC1 ZINC001566696818 1075320727 /nfs/dbraw/zinc/32/07/27/1075320727.db2.gz DHJGXJFJGNIWTG-UHFFFAOYSA-N 0 3 314.433 2.125 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](O)C1CCCCC1 ZINC001267704911 1079391009 /nfs/dbraw/zinc/39/10/09/1079391009.db2.gz IEXFOQMDPCZNKR-OKZBNKHCSA-N 0 3 318.461 2.016 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001566789787 1075345399 /nfs/dbraw/zinc/34/53/99/1075345399.db2.gz PJFYWVCTWCXLDJ-QAQDUYKDSA-N 0 3 307.397 2.225 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2(COC)CC2)C1 ZINC001566825063 1075353808 /nfs/dbraw/zinc/35/38/08/1075353808.db2.gz QOEGYHCGVZNRLM-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001566850102 1075362285 /nfs/dbraw/zinc/36/22/85/1075362285.db2.gz WILHMCDDBWBARK-FPMFFAJLSA-N 0 3 317.437 2.021 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCO1 ZINC001267711055 1079398048 /nfs/dbraw/zinc/39/80/48/1079398048.db2.gz ISKHTCAEAPPQBS-BZSNNMDCSA-N 0 3 318.461 2.424 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001566923990 1075388614 /nfs/dbraw/zinc/38/86/14/1075388614.db2.gz FOTRVTBIZCHKTF-JFIYKMOQSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)CCC(=C)C ZINC001566939852 1075393845 /nfs/dbraw/zinc/39/38/45/1075393845.db2.gz OXGKOPINXCKFCY-HOTGVXAUSA-N 0 3 321.465 2.004 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CC(C1CCC1)C1CCC1 ZINC001567054656 1075423609 /nfs/dbraw/zinc/42/36/09/1075423609.db2.gz WODYOCLVGGXVLI-OAHLLOKOSA-N 0 3 320.477 2.337 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CNCc2nccs2)C1 ZINC001567120183 1075436453 /nfs/dbraw/zinc/43/64/53/1075436453.db2.gz ZTDWCCODJSZOKY-AWEZNQCLSA-N 0 3 305.447 2.275 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001267762599 1079465799 /nfs/dbraw/zinc/46/57/99/1079465799.db2.gz HUTHIXNGFMFQTG-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN Cc1ncsc1CCN(C)[C@H](C)CNC(=O)C#CC(C)C ZINC001329430633 1148894245 /nfs/dbraw/zinc/89/42/45/1148894245.db2.gz FLEKRIQLGKOYEX-CYBMUJFWSA-N 0 3 307.463 2.090 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001329439714 1148895450 /nfs/dbraw/zinc/89/54/50/1148895450.db2.gz BNCNDPQYZABXLQ-TZMCWYRMSA-N 0 3 322.474 2.340 20 30 DEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)CCN1C ZINC001586631514 1076403036 /nfs/dbraw/zinc/40/30/36/1076403036.db2.gz OBZNYAOBJYTCSH-MUGHPLOMSA-N 0 3 318.392 2.349 20 30 DEEDHN C#CCN(CC)c1nnc(C)n1C[C@H](c1cccs1)N(C)C ZINC001588271000 1076437682 /nfs/dbraw/zinc/43/76/82/1076437682.db2.gz CJVLMAMNBDIMBM-CQSZACIVSA-N 0 3 317.462 2.410 20 30 DEEDHN C=CCC(C)(C)C[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588539798 1076452242 /nfs/dbraw/zinc/45/22/42/1076452242.db2.gz ZUXXYVRVRCCEKQ-AWEZNQCLSA-N 0 3 301.394 2.092 20 30 DEEDHN C=CCC(C)(C)C[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588539798 1076452244 /nfs/dbraw/zinc/45/22/44/1076452244.db2.gz ZUXXYVRVRCCEKQ-AWEZNQCLSA-N 0 3 301.394 2.092 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001588718484 1076462185 /nfs/dbraw/zinc/46/21/85/1076462185.db2.gz MFUUTFCBCLSTDO-KGLIPLIRSA-N 0 3 319.796 2.343 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588718484 1076462187 /nfs/dbraw/zinc/46/21/87/1076462187.db2.gz MFUUTFCBCLSTDO-KGLIPLIRSA-N 0 3 319.796 2.343 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609051354 1077748622 /nfs/dbraw/zinc/74/86/22/1077748622.db2.gz WSXWOWVQBHXVLH-RCBQFDQVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609051354 1077748626 /nfs/dbraw/zinc/74/86/26/1077748626.db2.gz WSXWOWVQBHXVLH-RCBQFDQVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@]1(CO)CCCN(C(C)C)C1)c1ccccc1 ZINC001484449432 1079612475 /nfs/dbraw/zinc/61/24/75/1079612475.db2.gz FAHUUQFBPMQGJW-MJGOQNOKSA-N 0 3 316.445 2.308 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](CC)OCC)cc1 ZINC001267933758 1079616096 /nfs/dbraw/zinc/61/60/96/1079616096.db2.gz LZJLQUINWXTRHI-QGZVFWFLSA-N 0 3 302.418 2.231 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)CCCC2CC2)CC1 ZINC001267945963 1079624891 /nfs/dbraw/zinc/62/48/91/1079624891.db2.gz FFFCXWFMBXZXHS-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC001484544131 1079652419 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C=CCCC(=O)N1CCCC[C@@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001484614063 1079681891 /nfs/dbraw/zinc/68/18/91/1079681891.db2.gz FBXPQWMHXQOEMT-GXTWGEPZSA-N 0 3 305.426 2.111 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2csc(C3CC3)n2)C1 ZINC001284012811 1079691278 /nfs/dbraw/zinc/69/12/78/1079691278.db2.gz FAAZJLRGOAUPDY-TZMCWYRMSA-N 0 3 317.458 2.165 20 30 DEEDHN CCc1ccccc1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001484648498 1079705960 /nfs/dbraw/zinc/70/59/60/1079705960.db2.gz CJJJYVGJNIECKX-UHFFFAOYSA-N 0 3 314.429 2.141 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)CCC1 ZINC001484655121 1079710981 /nfs/dbraw/zinc/71/09/81/1079710981.db2.gz LPHIMGMGPNMNPG-JKSUJKDBSA-N 0 3 312.413 2.060 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cccc2c1OCC2(C)C ZINC001481325358 1079721875 /nfs/dbraw/zinc/72/18/75/1079721875.db2.gz USDGMPKEZHMPPH-UHFFFAOYSA-N 0 3 300.402 2.042 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(Cc1cnn(C)c1)C(C)C ZINC001481353639 1079748114 /nfs/dbraw/zinc/74/81/14/1079748114.db2.gz MTKQFOORVHPQNS-UHFFFAOYSA-N 0 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QJVQISGSLXFHHL-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C(F)F)CC1 ZINC001485044466 1079926687 /nfs/dbraw/zinc/92/66/87/1079926687.db2.gz ZYWSZJVTCQQVIE-HUUCEWRRSA-N 0 3 318.367 2.427 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1(F)CCCC1)CC2 ZINC001268044957 1079930200 /nfs/dbraw/zinc/93/02/00/1079930200.db2.gz OYKIUGCOKOPPPQ-UHFFFAOYSA-N 0 3 324.440 2.396 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1sc(C)nc1C ZINC001485066019 1079944060 /nfs/dbraw/zinc/94/40/60/1079944060.db2.gz UMCPEOBOHKPANB-AWEZNQCLSA-N 0 3 307.463 2.411 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(OC)c(F)c1 ZINC001485061579 1079952746 /nfs/dbraw/zinc/95/27/46/1079952746.db2.gz IVAXSYILNCWVEG-OAHLLOKOSA-N 0 3 320.408 2.486 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C(C)(C)n1cnc(C)c1 ZINC001485062854 1079953466 /nfs/dbraw/zinc/95/34/66/1079953466.db2.gz JNMABWBLRUFKEP-OAHLLOKOSA-N 0 3 304.438 2.035 20 30 DEEDHN C#CCN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(C)(C)C ZINC001654841011 1079979118 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C[C@H](CNC(=O)[C@@H]1CCCCO1)N(C)Cc1ccc(C#N)cc1 ZINC001485295377 1080125435 /nfs/dbraw/zinc/12/54/35/1080125435.db2.gz TWRNCANMWIDDTL-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cc(C)c(C)s1 ZINC001656874513 1080131317 /nfs/dbraw/zinc/13/13/17/1080131317.db2.gz XTJMMMLGOCLEEC-UHFFFAOYSA-N 0 3 308.447 2.019 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]([C@H](C)NCc2cnns2)C1 ZINC001268173088 1080162363 /nfs/dbraw/zinc/16/23/63/1080162363.db2.gz CUIDFMAWXWPQJM-KBPBESRZSA-N 0 3 320.462 2.058 20 30 DEEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC[C@H](C(N)=O)C1 ZINC001658112892 1080196257 /nfs/dbraw/zinc/19/62/57/1080196257.db2.gz ZNOIBEBKUSWFIM-NWDGAFQWSA-N 0 3 306.793 2.096 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)C(C)C ZINC001268212719 1080199627 /nfs/dbraw/zinc/19/96/27/1080199627.db2.gz LKIHUDIYWOUNBG-GXTWGEPZSA-N 0 3 307.442 2.261 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nc(C(=O)OCC)cs1 ZINC001658466807 1080208354 /nfs/dbraw/zinc/20/83/54/1080208354.db2.gz 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ZINC001481677825 1080293032 /nfs/dbraw/zinc/29/30/32/1080293032.db2.gz MFFBTIYAHOSLKP-GJZGRUSLSA-N 0 3 314.433 2.084 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H](OC)C2CCCC2)C(C)(C)C1 ZINC001485580400 1080312516 /nfs/dbraw/zinc/31/25/16/1080312516.db2.gz HYNSARZJTHCPCX-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H](OC)C2CCCC2)C(C)(C)C1 ZINC001485580402 1080312906 /nfs/dbraw/zinc/31/29/06/1080312906.db2.gz HYNSARZJTHCPCX-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccns1 ZINC001660433180 1080331476 /nfs/dbraw/zinc/33/14/76/1080331476.db2.gz SIMBILRDYXAPEW-ZFWWWQNUSA-N 0 3 323.462 2.205 20 30 DEEDHN C=C(Cl)CN(CC)CCCNC(=O)C1(N(C)C)CCC1 ZINC001660536996 1080352883 /nfs/dbraw/zinc/35/28/83/1080352883.db2.gz PUPQKOAWWONWFT-UHFFFAOYSA-N 0 3 301.862 2.051 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CC2(CO1)CCN(C(=O)C1CC1)CC2 ZINC001485669106 1080355205 /nfs/dbraw/zinc/35/52/05/1080355205.db2.gz BSNAGFVNVWCMBK-AWEZNQCLSA-N 0 3 312.841 2.136 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C[C@@H](O)CCc2ccccc2)C1 ZINC001660965867 1080420374 /nfs/dbraw/zinc/42/03/74/1080420374.db2.gz JBRXBTIPIIBDDL-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(COC)cc2)C1 ZINC001660980327 1080422111 /nfs/dbraw/zinc/42/21/11/1080422111.db2.gz KRHPJRSRNBILPU-SFHVURJKSA-N 0 3 314.429 2.327 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CC12CCN(Cc1ccccn1)CC2 ZINC001661062775 1080436261 /nfs/dbraw/zinc/43/62/61/1080436261.db2.gz BLJXDUXNCRZGKW-QGZVFWFLSA-N 0 3 311.429 2.212 20 30 DEEDHN O=C(CC#Cc1ccccc1)N[C@H]1C[C@H](NCc2ccccn2)C1 ZINC001661512176 1080488285 /nfs/dbraw/zinc/48/82/85/1080488285.db2.gz XYDOFDMTFIWDDN-WGSAOQKQSA-N 0 3 319.408 2.260 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001661516252 1080489371 /nfs/dbraw/zinc/48/93/71/1080489371.db2.gz ZSULIDQNTLJYTH-HDJSIYSDSA-N 0 3 323.462 2.089 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001661526529 1080490571 /nfs/dbraw/zinc/49/05/71/1080490571.db2.gz IYBAWJOOTIMRDD-OTTKJFFISA-N 0 3 312.841 2.178 20 30 DEEDHN C=CCOCC(=O)NCCNCc1cc(C(C)C)ccc1OC ZINC001124768304 1080491017 /nfs/dbraw/zinc/49/10/17/1080491017.db2.gz XQHVULFBBQHHHM-UHFFFAOYSA-N 0 3 320.433 2.227 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2cccc(COC)c2)C1 ZINC001481778800 1080493793 /nfs/dbraw/zinc/49/37/93/1080493793.db2.gz PGOPGWGFPAWHNA-SFHVURJKSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(OC)c(N)c2)C1=O ZINC001272730080 1080512961 /nfs/dbraw/zinc/51/29/61/1080512961.db2.gz ULLMJKCBIVTVMB-SFHVURJKSA-N 0 3 315.417 2.030 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCOc2ccc(F)cc2)C1 ZINC001661738574 1080514929 /nfs/dbraw/zinc/51/49/29/1080514929.db2.gz IMCBDGFKHPJKDP-OAHLLOKOSA-N 0 3 318.392 2.056 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001661753043 1080517902 /nfs/dbraw/zinc/51/79/02/1080517902.db2.gz RUDOZLZTNIONRB-SJLPKXTDSA-N 0 3 314.429 2.226 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)Cc1cccs1 ZINC001661847221 1080532665 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ZINC001481907772 1080597877 /nfs/dbraw/zinc/59/78/77/1080597877.db2.gz FXJDGAKVSZDGFH-UHFFFAOYSA-N 0 3 322.840 2.180 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1n[nH]c2c1CCC2)C1CC1 ZINC001481934517 1080623118 /nfs/dbraw/zinc/62/31/18/1080623118.db2.gz DVYHTUKAEIDDPH-MRXNPFEDSA-N 0 3 322.840 2.139 20 30 DEEDHN Cc1cccc(CN(C)CCN(C)C(=O)CSCC#N)c1 ZINC001496660274 1080659208 /nfs/dbraw/zinc/65/92/08/1080659208.db2.gz YFCYWDXUBJRCHM-UHFFFAOYSA-N 0 3 305.447 2.142 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)N[C@H](C)c2cnccn2)cc1 ZINC001662955042 1080680134 /nfs/dbraw/zinc/68/01/34/1080680134.db2.gz WTIDTUUVFGHILW-HUUCEWRRSA-N 0 3 322.412 2.317 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)CC(C)(C)C)CCC[C@@H]12 ZINC001107287200 1080709301 /nfs/dbraw/zinc/70/93/01/1080709301.db2.gz ZHRMEPCHUYGYDX-VQIMIIECSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2c[nH]nc2C(C)(C)C)cc1 ZINC001482034877 1080721711 /nfs/dbraw/zinc/72/17/11/1080721711.db2.gz FOPQNZOMVZAJKB-UHFFFAOYSA-N 0 3 324.428 2.360 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2nc(C)c(C)s2)cc1 ZINC001482035372 1080722477 /nfs/dbraw/zinc/72/24/77/1080722477.db2.gz YAVYNKODDUUCKJ-UHFFFAOYSA-N 0 3 313.426 2.413 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC001663553471 1080773871 /nfs/dbraw/zinc/77/38/71/1080773871.db2.gz SWDADGPIRBHUGA-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC[C@H](CC(C)C)C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001663628764 1080792909 /nfs/dbraw/zinc/79/29/09/1080792909.db2.gz HRPOCPLTIVKVKF-DLBZAZTESA-N 0 3 308.466 2.147 20 30 DEEDHN C=CCN(CCNC(=O)c1cccc2c1COCC2)C1CC1 ZINC001663728188 1080809549 /nfs/dbraw/zinc/80/95/49/1080809549.db2.gz YZZXJNVNWHKUKM-UHFFFAOYSA-N 0 3 300.402 2.140 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cn2c(n1)C[C@H](C)CC2)C1CC1 ZINC001663731504 1080809785 /nfs/dbraw/zinc/80/97/85/1080809785.db2.gz YXCARFUKKMQEKY-CQSZACIVSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCOCC(=O)N(C)CCNCc1ccc(Cl)c(F)c1 ZINC001663851364 1080826867 /nfs/dbraw/zinc/82/68/67/1080826867.db2.gz OKEROEQIVWREQL-UHFFFAOYSA-N 0 3 314.788 2.230 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001268634694 1080907777 /nfs/dbraw/zinc/90/77/77/1080907777.db2.gz YDOKBXARHTZCGP-DUIUGDAFSA-N 0 3 310.441 2.467 20 30 DEEDHN CC(C)N(C/C=C/Cl)CCCNC(=O)c1c[nH]c(C#N)c1 ZINC001664501052 1080918061 /nfs/dbraw/zinc/91/80/61/1080918061.db2.gz CBGWRAWHHQLMLF-HWKANZROSA-N 0 3 308.813 2.469 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1nn(C)cc1Cl)c1ccccc1 ZINC001664577773 1080927735 /nfs/dbraw/zinc/92/77/35/1080927735.db2.gz DVDASRNQNFPFFI-AWEZNQCLSA-N 0 3 318.808 2.320 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1nccc(C)n1)c1ccccc1 ZINC001664577853 1080927854 /nfs/dbraw/zinc/92/78/54/1080927854.db2.gz GIPWBFDXTYDVFV-INIZCTEOSA-N 0 3 310.401 2.422 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1cn2c(n1)CCC2)c1ccccc1 ZINC001664578691 1080928283 /nfs/dbraw/zinc/92/82/83/1080928283.db2.gz SAVZBJNBKVSAJY-INIZCTEOSA-N 0 3 324.428 2.466 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)COc2cc(C)on2)C1 ZINC001664667338 1080939064 /nfs/dbraw/zinc/93/90/64/1080939064.db2.gz 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1081027370 /nfs/dbraw/zinc/02/73/70/1081027370.db2.gz IXXJXQIKMWVXHT-ILXRZTDVSA-N 0 3 302.422 2.156 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665630851 1081051033 /nfs/dbraw/zinc/05/10/33/1081051033.db2.gz FLQPOSJEGMXWHP-WMZOPIPTSA-N 0 3 314.429 2.066 20 30 DEEDHN CCC#CC(=O)N1CCC[C@@]2(C1)CN(C1CCCC1)CCO2 ZINC001268951131 1081055773 /nfs/dbraw/zinc/05/57/73/1081055773.db2.gz DLJAXLNKAAQYHY-SFHVURJKSA-N 0 3 304.434 2.036 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)Cc2occc2C)C1 ZINC001665732619 1081072790 /nfs/dbraw/zinc/07/27/90/1081072790.db2.gz WNMOCFIKRISKIU-MRXNPFEDSA-N 0 3 320.433 2.256 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCC(=O)N1CCCC[C@H]1C ZINC001665828227 1081087020 /nfs/dbraw/zinc/08/70/20/1081087020.db2.gz LCNYSGZZXISECW-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001269041906 1081095160 /nfs/dbraw/zinc/09/51/60/1081095160.db2.gz DPOCSIYJJAXKPI-ZDUSSCGKSA-N 0 3 303.406 2.324 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@](C)(CNCC(=C)Cl)C2CC2)c1 ZINC001666022078 1081111490 /nfs/dbraw/zinc/11/14/90/1081111490.db2.gz ROIJHTQPSXGVIN-QGZVFWFLSA-N 0 3 317.820 2.304 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(OC)no2)[C@H](CC)C1 ZINC001269162657 1081145983 /nfs/dbraw/zinc/14/59/83/1081145983.db2.gz JXXVBMVQCJNYJT-HIFRSBDPSA-N 0 3 321.421 2.366 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccn(C)n2)[C@H](CC)C1 ZINC001269169110 1081148725 /nfs/dbraw/zinc/14/87/25/1081148725.db2.gz LQDWGNKKFHQETK-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001666387511 1081150120 /nfs/dbraw/zinc/15/01/20/1081150120.db2.gz YVCOVQUMBUVHEZ-ROUUACIJSA-N 0 3 320.477 2.147 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)c2ccccn2)C1 ZINC001422255134 1081192439 /nfs/dbraw/zinc/19/24/39/1081192439.db2.gz XRTLELVSDUBPRE-UHFFFAOYSA-N 0 3 324.222 2.088 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001269278026 1081194623 /nfs/dbraw/zinc/19/46/23/1081194623.db2.gz BAUDJGYNQAYTMJ-STQMWFEESA-N 0 3 321.387 2.026 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1C ZINC001666982687 1081200144 /nfs/dbraw/zinc/20/01/44/1081200144.db2.gz KODRUFUUQGQJNQ-AWEZNQCLSA-N 0 3 322.836 2.348 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)Cc2ccsc2)C1 ZINC001269307256 1081206998 /nfs/dbraw/zinc/20/69/98/1081206998.db2.gz PHJVQJASEIPDCR-MRXNPFEDSA-N 0 3 322.474 2.416 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1ccnn1C)CC(C)C ZINC001667100614 1081211549 /nfs/dbraw/zinc/21/15/49/1081211549.db2.gz GDPKOTKQWKVOQL-AWEZNQCLSA-N 0 3 306.454 2.253 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001269333027 1081217191 /nfs/dbraw/zinc/21/71/91/1081217191.db2.gz UAFJQTZUUIVFEX-HZPDHXFCSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCc2nc(CC)no2)C1 ZINC001269355020 1081224797 /nfs/dbraw/zinc/22/47/97/1081224797.db2.gz CZTSPEYKAZUUFR-CQSZACIVSA-N 0 3 320.437 2.064 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)C(C)=C1CCCC1 ZINC001269389931 1081235415 /nfs/dbraw/zinc/23/54/15/1081235415.db2.gz CWZINUDCBILFME-ZBFHGGJFSA-N 0 3 321.465 2.052 20 30 DEEDHN CC[C@@H](CNC(=O)C1(C)CC1)NCC#Cc1ccc(F)cc1 ZINC001269408769 1081240087 /nfs/dbraw/zinc/24/00/87/1081240087.db2.gz ULCFNYKKYJKNFX-INIZCTEOSA-N 0 3 302.393 2.462 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001667595966 1081266229 /nfs/dbraw/zinc/26/62/29/1081266229.db2.gz MARHSJMZDYGOFX-HNNXBMFYSA-N 0 3 320.408 2.343 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)CCO[C@@H]1CC1(F)F ZINC001667608252 1081267386 /nfs/dbraw/zinc/26/73/86/1081267386.db2.gz YRDDJHVRIUDUCF-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1c[nH]c2cnccc12 ZINC001667615153 1081268710 /nfs/dbraw/zinc/26/87/10/1081268710.db2.gz LJRIZRIORSBJDW-UHFFFAOYSA-N 0 3 300.406 2.072 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc(C)cc(F)c1 ZINC001667631802 1081269654 /nfs/dbraw/zinc/26/96/54/1081269654.db2.gz PXILGPFTQCCTTJ-UHFFFAOYSA-N 0 3 308.397 2.341 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001667656786 1081271360 /nfs/dbraw/zinc/27/13/60/1081271360.db2.gz KGGYHBISLMCBCP-AWEZNQCLSA-N 0 3 308.397 2.307 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2cncn2C)C1 ZINC001667695070 1081274819 /nfs/dbraw/zinc/27/48/19/1081274819.db2.gz ULDNOKCPEAWZRA-WBVHZDCISA-N 0 3 316.449 2.199 20 30 DEEDHN C=CCCCC(=O)NCC1(NCc2ccnn2C)CCCC1 ZINC001482228884 1081278852 /nfs/dbraw/zinc/27/88/52/1081278852.db2.gz YUYJLCWTNRVAIZ-UHFFFAOYSA-N 0 3 304.438 2.295 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cnc2nccn2c1)C(C)C ZINC001284542982 1081287147 /nfs/dbraw/zinc/28/71/47/1081287147.db2.gz AAEXAOHGHWYBKK-UHFFFAOYSA-N 0 3 315.421 2.088 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](O)CNCc1cc2ccccc2o1 ZINC001667832194 1081291644 /nfs/dbraw/zinc/29/16/44/1081291644.db2.gz RMVVBVJTTRCROD-OAHLLOKOSA-N 0 3 316.401 2.356 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1ccco1 ZINC001667953068 1081297562 /nfs/dbraw/zinc/29/75/62/1081297562.db2.gz JTSFLZXWLSJZAC-SNVBAGLBSA-N 0 3 301.184 2.286 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C1=CCCC1 ZINC001668021543 1081306855 /nfs/dbraw/zinc/30/68/55/1081306855.db2.gz BWGILNSMCRIYRP-LLVKDONJSA-N 0 3 301.228 2.490 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC001280022968 1081316345 /nfs/dbraw/zinc/31/63/45/1081316345.db2.gz ZLHVOXNQVPLBLV-LBPRGKRZSA-N 0 3 311.813 2.431 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]2(CNCCF)CCCC[C@H]2C)nc1 ZINC001269676026 1081330175 /nfs/dbraw/zinc/33/01/75/1081330175.db2.gz FCFYJLHSXLTVAM-KDOFPFPSSA-N 0 3 317.408 2.301 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]2(CNCCF)CCCC[C@@H]2C)nc1 ZINC001269676028 1081330257 /nfs/dbraw/zinc/33/02/57/1081330257.db2.gz FCFYJLHSXLTVAM-KSSFIOAISA-N 0 3 317.408 2.301 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001269769825 1081361139 /nfs/dbraw/zinc/36/11/39/1081361139.db2.gz BEJPZQVSGRYIKJ-CYBMUJFWSA-N 0 3 308.813 2.061 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc(F)c2ccncc12 ZINC001668528309 1081363763 /nfs/dbraw/zinc/36/37/63/1081363763.db2.gz DETSXHIZJIOTBF-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001668578053 1081370162 /nfs/dbraw/zinc/37/01/62/1081370162.db2.gz RCLZNZSGTSKJFU-DLBZAZTESA-N 0 3 314.429 2.260 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2nccn2C)C[C@H]1C ZINC001269925631 1081400985 /nfs/dbraw/zinc/40/09/85/1081400985.db2.gz BIRCNNCGUQNMSM-CVEARBPZSA-N 0 3 316.449 2.083 20 30 DEEDHN O=C(C#CC1CC1)NC/C=C\CN[C@H]1CCc2c1cccc2F ZINC001668815324 1081401374 /nfs/dbraw/zinc/40/13/74/1081401374.db2.gz LWUNJIJPVIELNH-LPQSXRFUSA-N 0 3 312.388 2.488 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CCC ZINC001269988479 1081419570 /nfs/dbraw/zinc/41/95/70/1081419570.db2.gz AYJYQEIHFWFVTB-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001669289435 1081443330 /nfs/dbraw/zinc/44/33/30/1081443330.db2.gz XMWYTVPQYIXGCL-CQSZACIVSA-N 0 3 314.385 2.067 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2nc(CC)oc2C)cc1 ZINC001270076744 1081443607 /nfs/dbraw/zinc/44/36/07/1081443607.db2.gz WDGGERKUKNGWFF-UHFFFAOYSA-N 0 3 311.385 2.198 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CNCC(=O)N1CCCC[C@H]1CC ZINC001669302746 1081444444 /nfs/dbraw/zinc/44/44/44/1081444444.db2.gz UZOHDZOAJNEVPQ-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C(C)C)CCC1 ZINC001669392583 1081448358 /nfs/dbraw/zinc/44/83/58/1081448358.db2.gz TYJUNHHSLNIJRH-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c(C)n1C ZINC001669467270 1081452224 /nfs/dbraw/zinc/45/22/24/1081452224.db2.gz NFDFJCBIBSTUPP-OAHLLOKOSA-N 0 3 323.440 2.402 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1CCCC1 ZINC001669493814 1081453665 /nfs/dbraw/zinc/45/36/65/1081453665.db2.gz JAEBNTQECDUEFQ-AWEZNQCLSA-N 0 3 302.393 2.462 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CCNCc2cnc(C)cn2)C1 ZINC001280173099 1081460745 /nfs/dbraw/zinc/46/07/45/1081460745.db2.gz LWMBKAMKRQSSDX-INIZCTEOSA-N 0 3 316.449 2.470 20 30 DEEDHN Cc1cnoc1C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001270159309 1081462966 /nfs/dbraw/zinc/46/29/66/1081462966.db2.gz QLFFTXOZIRNSPD-KRWDZBQOSA-N 0 3 323.396 2.229 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H](C)CNCc2ccccn2)cc1 ZINC001669686415 1081463306 /nfs/dbraw/zinc/46/33/06/1081463306.db2.gz NVLMZLSBBXRKAN-HNNXBMFYSA-N 0 3 323.396 2.002 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)CCCc1sccc1C ZINC001669724011 1081464677 /nfs/dbraw/zinc/46/46/77/1081464677.db2.gz IYHDJXPRCFLAMN-HNNXBMFYSA-N 0 3 322.474 2.123 20 30 DEEDHN Cc1ccc(OCCN(C)C[C@H](C)NC(=O)C#CC(C)C)cc1 ZINC001669806861 1081470213 /nfs/dbraw/zinc/47/02/13/1081470213.db2.gz VPNRFCCBIAHUSC-KRWDZBQOSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1cc(F)c(F)cc1F ZINC001669888708 1081477057 /nfs/dbraw/zinc/47/70/57/1081477057.db2.gz VJEBIFYHFQBYEJ-SNVBAGLBSA-N 0 3 300.324 2.269 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)NC(C)(C)C ZINC001270249402 1081485417 /nfs/dbraw/zinc/48/54/17/1081485417.db2.gz GGWLLEBQRLFORK-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC001270255060 1081487098 /nfs/dbraw/zinc/48/70/98/1081487098.db2.gz CGBKBDJVFFFTGK-ZDUSSCGKSA-N 0 3 316.449 2.124 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001670023021 1081491145 /nfs/dbraw/zinc/49/11/45/1081491145.db2.gz HJMIGTJXMHLMRU-LBPRGKRZSA-N 0 3 323.437 2.387 20 30 DEEDHN C#CCN(C(=O)c1ccsc1C)C1CCN(CCOC)CC1 ZINC001270315007 1081500276 /nfs/dbraw/zinc/50/02/76/1081500276.db2.gz CQPLIGYSXACRDK-UHFFFAOYSA-N 0 3 320.458 2.243 20 30 DEEDHN C#CCN(C(=O)[C@@H](F)CC)C1CCN(CCOC2CCC2)CC1 ZINC001270332437 1081504240 /nfs/dbraw/zinc/50/42/40/1081504240.db2.gz ZBDOHEREZLODRB-KRWDZBQOSA-N 0 3 324.440 2.230 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2nccs2)C[C@@H]1C ZINC001671256684 1081504742 /nfs/dbraw/zinc/50/47/42/1081504742.db2.gz JCWFNIZMRILMRL-KBPBESRZSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2nccs2)C[C@H]1C ZINC001671256685 1081504919 /nfs/dbraw/zinc/50/49/19/1081504919.db2.gz JCWFNIZMRILMRL-KGLIPLIRSA-N 0 3 323.462 2.205 20 30 DEEDHN C#CCN(C(=O)CCn1cccc1)C1CCN(CC(=C)C)CC1 ZINC001270351960 1081506768 /nfs/dbraw/zinc/50/67/68/1081506768.db2.gz XRUBCVHRGWCYDO-UHFFFAOYSA-N 0 3 313.445 2.381 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2nccnc2c1 ZINC001670334836 1081510952 /nfs/dbraw/zinc/51/09/52/1081510952.db2.gz OKGAAVKAMDSWID-UHFFFAOYSA-N 0 3 318.808 2.434 20 30 DEEDHN C#CCN(C(=O)C/C=C(/C)C=C)C1CCN(CCOC)CC1 ZINC001671487703 1081519256 /nfs/dbraw/zinc/51/92/56/1081519256.db2.gz SQFSPRRETMFQGI-APSNUPSMSA-N 0 3 304.434 2.081 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](C)CNCc1ncc(C)s1 ZINC001270487096 1081535838 /nfs/dbraw/zinc/53/58/38/1081535838.db2.gz UMQZDXRQNSDWHN-ZDUSSCGKSA-N 0 3 307.463 2.487 20 30 DEEDHN CC#CCN1CC[C@H](N2CCN(C(=O)CCCCCC)CC2)C1 ZINC001270528036 1081543414 /nfs/dbraw/zinc/54/34/14/1081543414.db2.gz BOEGNMYRGDTNFL-SFHVURJKSA-N 0 3 319.493 2.199 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccc3[nH]cnc32)CC1 ZINC001671858035 1081543637 /nfs/dbraw/zinc/54/36/37/1081543637.db2.gz KFFGPWFDBSWPAL-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(OC)ccn2)C1 ZINC001671897160 1081547330 /nfs/dbraw/zinc/54/73/30/1081547330.db2.gz JJMPCISWRKUMJE-KRWDZBQOSA-N 0 3 303.406 2.108 20 30 DEEDHN C=C1CC(C(=O)N2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)C1 ZINC001270590592 1081557862 /nfs/dbraw/zinc/55/78/62/1081557862.db2.gz QVSMZQBKLICNOF-SFHVURJKSA-N 0 3 314.433 2.190 20 30 DEEDHN C=C1CC(C(=O)N2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)C1 ZINC001270590192 1081558022 /nfs/dbraw/zinc/55/80/22/1081558022.db2.gz LPLHTMZHYPPMOH-UHFFFAOYSA-N 0 3 314.433 2.190 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC001006480393 1081573098 /nfs/dbraw/zinc/57/30/98/1081573098.db2.gz GUCCUYQPFCBTRN-UHFFFAOYSA-N 0 3 316.449 2.497 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001672266658 1081575064 /nfs/dbraw/zinc/57/50/64/1081575064.db2.gz IEJJQTOAWADLKF-NIAWODJZSA-N 0 3 321.248 2.192 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COc2c(C)cccc2C)C1 ZINC001270658946 1081587324 /nfs/dbraw/zinc/58/73/24/1081587324.db2.gz ROUOGVNFORQXQV-LJQANCHMSA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](F)C1 ZINC001672397090 1081593894 /nfs/dbraw/zinc/59/38/94/1081593894.db2.gz YXGAECPHKBPSKU-IRXDYDNUSA-N 0 3 302.393 2.376 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CN(Cc3ocnc3C)C[C@H]2C1 ZINC001672419307 1081594790 /nfs/dbraw/zinc/59/47/90/1081594790.db2.gz DOYYIXCGHBOCSV-GASCZTMLSA-N 0 3 317.433 2.476 20 30 DEEDHN CC/C=C/CCN1CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C1 ZINC001672485905 1081603537 /nfs/dbraw/zinc/60/35/37/1081603537.db2.gz ADBNUASGQCGZCT-GHOSXJJBSA-N 0 3 320.477 2.335 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CCNCc2cnns2)C1 ZINC001672838903 1081710410 /nfs/dbraw/zinc/71/04/10/1081710410.db2.gz GSVYMUTWKDYUEQ-GFCCVEGCSA-N 0 3 308.451 2.079 20 30 DEEDHN C#CCNC1(CNC(=O)c2cccc([C@@H]3CCOC3)c2)CCC1 ZINC001673180600 1081744942 /nfs/dbraw/zinc/74/49/42/1081744942.db2.gz MVGAXZARJIXSCF-QGZVFWFLSA-N 0 3 312.413 2.066 20 30 DEEDHN CC#CCNC1(CNC(=O)CO[C@H]2CCC[C@H](C)C2)CCC1 ZINC001673217910 1081747325 /nfs/dbraw/zinc/74/73/25/1081747325.db2.gz GCQSKKGDZBIATO-HOTGVXAUSA-N 0 3 306.450 2.234 20 30 DEEDHN CC#CCNC1(CNC(=O)c2c(C)nn(CC)c2Cl)CCC1 ZINC001673237881 1081748242 /nfs/dbraw/zinc/74/82/42/1081748242.db2.gz DUZFCJQHAMHONM-UHFFFAOYSA-N 0 3 322.840 2.130 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001673385492 1081763784 /nfs/dbraw/zinc/76/37/84/1081763784.db2.gz FAHUYKHRPSEGQM-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)COc2cccc(CC)c2)CC1 ZINC001673406822 1081768380 /nfs/dbraw/zinc/76/83/80/1081768380.db2.gz JRRXDDBDNZWHKB-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1 ZINC001673407616 1081769071 /nfs/dbraw/zinc/76/90/71/1081769071.db2.gz UMTGTELUFCSFBK-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001673438819 1081770838 /nfs/dbraw/zinc/77/08/38/1081770838.db2.gz 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/nfs/dbraw/zinc/81/88/40/1081818840.db2.gz JUEPTADJNPDOBA-UHFFFAOYSA-N 0 3 304.438 2.247 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@H](C)CCC)CC2)C1 ZINC001674039643 1081829486 /nfs/dbraw/zinc/82/94/86/1081829486.db2.gz RMNDLGAVALQNCQ-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cn3c(cccc3C)n2)CC1 ZINC001270926514 1081840483 /nfs/dbraw/zinc/84/04/83/1081840483.db2.gz VYGABGFHMHRACQ-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc3cccn3cn2)C1 ZINC001270965440 1081857466 /nfs/dbraw/zinc/85/74/66/1081857466.db2.gz IBQLSZFEIIGWDW-GOSISDBHSA-N 0 3 312.417 2.352 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001674435557 1081870251 /nfs/dbraw/zinc/87/02/51/1081870251.db2.gz YHNKHCFKUCOIEK-KRWDZBQOSA-N 0 3 302.418 2.426 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ncn2ccc(C)cc12 ZINC001674463235 1081875658 /nfs/dbraw/zinc/87/56/58/1081875658.db2.gz IGMABVCQBXZOEK-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1CC2(C1)CCOCC2 ZINC001674491184 1081880140 /nfs/dbraw/zinc/88/01/40/1081880140.db2.gz MHKUTPUHKADUPG-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCCCC(=O)NC1CC(CNCc2snnc2C)C1 ZINC001674533059 1081887778 /nfs/dbraw/zinc/88/77/78/1081887778.db2.gz NQRCERBJSIPXHP-UHFFFAOYSA-N 0 3 320.462 2.025 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC001674639207 1081896739 /nfs/dbraw/zinc/89/67/39/1081896739.db2.gz AUEOIBLAPLFJPV-QWHCGFSZSA-N 0 3 321.396 2.213 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccnc(OC)c1 ZINC001674715543 1081910700 /nfs/dbraw/zinc/91/07/00/1081910700.db2.gz ICMBONIKKDVCIW-HUUCEWRRSA-N 0 3 317.433 2.267 20 30 DEEDHN CC#CCNC1(CNC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC001670815349 1081930574 /nfs/dbraw/zinc/93/05/74/1081930574.db2.gz GORBWZSXAAXGAW-UHFFFAOYSA-N 0 3 314.429 2.451 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001282454709 1081975573 /nfs/dbraw/zinc/97/55/73/1081975573.db2.gz GRNQSXZXXKLYGZ-KBPBESRZSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001266353645 1081993622 /nfs/dbraw/zinc/99/36/22/1081993622.db2.gz ZHBCLICEKFIFHN-RDJZCZTQSA-N 0 3 302.418 2.183 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2n[nH]c(C)n2)CCCC1 ZINC001271238163 1081997504 /nfs/dbraw/zinc/99/75/04/1081997504.db2.gz MWEBXBWIMQJUSD-CYBMUJFWSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cn(C(C)C)nn2)[C@H](C)C1 ZINC001271373654 1082022533 /nfs/dbraw/zinc/02/25/33/1082022533.db2.gz FWVJMWXPMQQGOG-ZBFHGGJFSA-N 0 3 319.453 2.152 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001266403114 1082022799 /nfs/dbraw/zinc/02/27/99/1082022799.db2.gz DXBLAZFJDCELEX-KRWDZBQOSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001266437636 1082038003 /nfs/dbraw/zinc/03/80/03/1082038003.db2.gz HISKXHSWENZQLV-QGZVFWFLSA-N 0 3 302.418 2.231 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)NC(C)C ZINC001482487849 1082041618 /nfs/dbraw/zinc/04/16/18/1082041618.db2.gz ANLQOAKTFJCLLN-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCN1CCOCC1CC1 ZINC001266460658 1082051914 /nfs/dbraw/zinc/05/19/14/1082051914.db2.gz ANDNGZFJTCGPOD-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1cnc(CN[C@H](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001271489870 1082061695 /nfs/dbraw/zinc/06/16/95/1082061695.db2.gz BYOQUULDBRVVPQ-CABCVRRESA-N 0 3 319.474 2.438 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001266491561 1082071826 /nfs/dbraw/zinc/07/18/26/1082071826.db2.gz TXMBJVVBDQGLHU-XDNAFOTISA-N 0 3 318.461 2.443 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccon1 ZINC001266491485 1082072774 /nfs/dbraw/zinc/07/27/74/1082072774.db2.gz QOMANBSAKWRLED-IYBDPMFKSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)Cc1ccc(C)s1 ZINC001266495403 1082075052 /nfs/dbraw/zinc/07/50/52/1082075052.db2.gz MCVWSPIGORMDTE-OAHLLOKOSA-N 0 3 322.474 2.382 20 30 DEEDHN CC(F)(F)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001670438913 1082131657 /nfs/dbraw/zinc/13/16/57/1082131657.db2.gz KHDDRPMJPXJBQU-HNNXBMFYSA-N 0 3 306.356 2.178 20 30 DEEDHN CC(F)(F)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001670438914 1082131688 /nfs/dbraw/zinc/13/16/88/1082131688.db2.gz KHDDRPMJPXJBQU-OAHLLOKOSA-N 0 3 306.356 2.178 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1cccc(Cl)n1 ZINC001482516448 1082137067 /nfs/dbraw/zinc/13/70/67/1082137067.db2.gz AGFJBIQBSCYUEY-DGCLKSJQSA-N 0 3 308.813 2.125 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H](CNCc1ccc(F)c(F)c1)C1CC1 ZINC001670470147 1082144708 /nfs/dbraw/zinc/14/47/08/1082144708.db2.gz QAVZKSSPQSFNKR-KRWDZBQOSA-N 0 3 318.367 2.363 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H](C)N(C)CC(F)(F)F)C1CC1 ZINC001266607256 1082197473 /nfs/dbraw/zinc/19/74/73/1082197473.db2.gz SLYMTXWUSOHFPL-GFCCVEGCSA-N 0 3 321.387 2.026 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)/C=C\c1ccco1 ZINC001266629862 1082231553 /nfs/dbraw/zinc/23/15/53/1082231553.db2.gz VOGOPBKHUABJHZ-DAXSKMNVSA-N 0 3 315.398 2.474 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2(OC)CCC2)C1 ZINC001266659717 1082256183 /nfs/dbraw/zinc/25/61/83/1082256183.db2.gz RMSVCIXDLOOLRN-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CSCCC)C1 ZINC001266669888 1082266024 /nfs/dbraw/zinc/26/60/24/1082266024.db2.gz MIBDIHGFLREMDY-PHIMTYICSA-N 0 3 321.284 2.275 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@@H]1CC[C@@H](F)C1 ZINC001266708764 1082297489 /nfs/dbraw/zinc/29/74/89/1082297489.db2.gz XLHYCKSIJYTYDU-TVFCKZIOSA-N 0 3 314.404 2.413 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC001482603032 1082371993 /nfs/dbraw/zinc/37/19/93/1082371993.db2.gz QTRVIQOETSJSBQ-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001482604966 1082374107 /nfs/dbraw/zinc/37/41/07/1082374107.db2.gz RUZNPTSWLJMTMR-MRXNPFEDSA-N 0 3 301.434 2.089 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCn1nc(C)cc1C ZINC001266849884 1082393335 /nfs/dbraw/zinc/39/33/35/1082393335.db2.gz PDYPIMIDNWUTQD-KRWDZBQOSA-N 0 3 318.465 2.437 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN(C)C[C@H](O)Cc1ccccc1 ZINC001496757377 1082407557 /nfs/dbraw/zinc/40/75/57/1082407557.db2.gz DOCVVAMCABVBGA-QGZVFWFLSA-N 0 3 318.461 2.192 20 30 DEEDHN C[C@H](CNC(=O)CSCC#N)N[C@H](C)c1ccccc1F ZINC001266924141 1082454648 /nfs/dbraw/zinc/45/46/48/1082454648.db2.gz WPDPEFJALUXTRA-VXGBXAGGSA-N 0 3 309.410 2.238 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C ZINC001279540736 1082463646 /nfs/dbraw/zinc/46/36/46/1082463646.db2.gz HNJNCGGEPSYWFV-JKSUJKDBSA-N 0 3 318.417 2.470 20 30 DEEDHN CC#CCNCCN(CC)C(=O)CCc1ccc(N(C)C)cc1 ZINC001482936634 1082568448 /nfs/dbraw/zinc/56/84/48/1082568448.db2.gz GQMNTWCHTNEBSX-UHFFFAOYSA-N 0 3 315.461 2.147 20 30 DEEDHN C#Cc1cncc(C(=O)N(CC)CCNCc2cncc(C)c2)c1 ZINC001482951612 1082580108 /nfs/dbraw/zinc/58/01/08/1082580108.db2.gz SZVHVTRTJKKMJC-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C1(C2CCCCC2)CC1 ZINC001482966212 1082583279 /nfs/dbraw/zinc/58/32/79/1082583279.db2.gz VCXODXMGRKFKGR-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001482976268 1082590771 /nfs/dbraw/zinc/59/07/71/1082590771.db2.gz DPUBVLYCZKHVQP-QADGWQRPSA-N 0 3 301.365 2.115 20 30 DEEDHN CC[C@H](C)C(=O)NC/C=C\CNCc1ccc(OC)c(C#N)c1 ZINC001482980155 1082594148 /nfs/dbraw/zinc/59/41/48/1082594148.db2.gz IHILCABFTKIUAA-GXMNPTEKSA-N 0 3 315.417 2.375 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCOc1cccc(C)c1 ZINC001272172173 1082613308 /nfs/dbraw/zinc/61/33/08/1082613308.db2.gz LHKRYBFOEHBMKT-UHFFFAOYSA-N 0 3 302.418 2.177 20 30 DEEDHN Cc1cc(CNC/C=C/CNC(=O)c2cc(C#N)c[nH]2)cs1 ZINC001482995502 1082614507 /nfs/dbraw/zinc/61/45/07/1082614507.db2.gz SCEXEGCHJUKRIJ-NSCUHMNNSA-N 0 3 314.414 2.332 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001483009815 1082622303 /nfs/dbraw/zinc/62/23/03/1082622303.db2.gz HPSFMXKRENVVMD-IBSYWUHOSA-N 0 3 306.450 2.400 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C\CNCc1ccc2nonc2c1 ZINC001483014906 1082625609 /nfs/dbraw/zinc/62/56/09/1082625609.db2.gz YOLQTNCUJNUEKM-ARJAWSKDSA-N 0 3 314.389 2.341 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)CCC(F)F)cc1 ZINC001483039468 1082640035 /nfs/dbraw/zinc/64/00/35/1082640035.db2.gz UANCYNOWJAIMAI-UPHRSURJSA-N 0 3 307.344 2.366 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)NC/C=C/CNCC#CCOC)CC1 ZINC001483087274 1082698747 /nfs/dbraw/zinc/69/87/47/1082698747.db2.gz PCGXKXGCBZHDTG-FXVRUJLTSA-N 0 3 306.450 2.115 20 30 DEEDHN CC(C)OCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001483113009 1082718946 /nfs/dbraw/zinc/71/89/46/1082718946.db2.gz XPIQASHFEUWIQL-CQSZACIVSA-N 0 3 322.836 2.211 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)CC1CCC1 ZINC001483117391 1082723819 /nfs/dbraw/zinc/72/38/19/1082723819.db2.gz FARAZUWTRJXILB-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483124584 1082736182 /nfs/dbraw/zinc/73/61/82/1082736182.db2.gz MLNXDVOJJHTVBP-LLVKDONJSA-N 0 3 302.403 2.164 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001409291764 1082745413 /nfs/dbraw/zinc/74/54/13/1082745413.db2.gz NRRYWPCQHKMNMJ-NFOMZHRRSA-N 0 3 324.856 2.380 20 30 DEEDHN Cc1c(C(=O)N[C@H](C)CNCC#Cc2ccccc2)ccn1C ZINC001483164937 1082785607 /nfs/dbraw/zinc/78/56/07/1082785607.db2.gz WEXKGBQGROFSIK-OAHLLOKOSA-N 0 3 309.413 2.093 20 30 DEEDHN C[C@@H](CNC(=O)C1=COCCC1)N(C)Cc1cccc(C#N)c1 ZINC001409548797 1082948231 /nfs/dbraw/zinc/94/82/31/1082948231.db2.gz WZLIDJIQTRRIFT-AWEZNQCLSA-N 0 3 313.401 2.189 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409617847 1082988663 /nfs/dbraw/zinc/98/86/63/1082988663.db2.gz ZRKSUECBNPGGSC-XJKSGUPXSA-N 0 3 305.397 2.489 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC1CCCC1 ZINC001483254684 1083058822 /nfs/dbraw/zinc/05/88/22/1083058822.db2.gz HXZPFAZGCCPJCN-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(N(C)C)c1)NC(=O)C#CC1CC1 ZINC001483336173 1083112221 /nfs/dbraw/zinc/11/22/21/1083112221.db2.gz KMXJBJQLZOLARQ-HNNXBMFYSA-N 0 3 313.445 2.103 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2cccc(Cl)c2)C1 ZINC001276421768 1083423856 /nfs/dbraw/zinc/42/38/56/1083423856.db2.gz NJDMNYYKOVWHBS-ZDUSSCGKSA-N 0 3 304.821 2.342 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001276462205 1083451443 /nfs/dbraw/zinc/45/14/43/1083451443.db2.gz YOOJKOLZDJEWAT-CRAIPNDOSA-N 0 3 316.445 2.257 20 30 DEEDHN C#CCCCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001276583537 1083498835 /nfs/dbraw/zinc/49/88/35/1083498835.db2.gz CCEUIWXKFSQLKR-INIZCTEOSA-N 0 3 315.442 2.408 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C(C)(C)c3ccc(CC)cc3)[C@@H]2C1 ZINC001276726436 1083572273 /nfs/dbraw/zinc/57/22/73/1083572273.db2.gz LMQNSPKJYJTJDE-LDLYASANSA-N 0 3 324.468 2.454 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001276854233 1083647868 /nfs/dbraw/zinc/64/78/68/1083647868.db2.gz RVRCBSPMDVKXTC-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCCN(CCOCC1CC1)C2 ZINC001276862803 1083653810 /nfs/dbraw/zinc/65/38/10/1083653810.db2.gz RHLAOFYVGSSKLY-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN N#CC1(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccsc2)C3)CCC1 ZINC001277054589 1083750879 /nfs/dbraw/zinc/75/08/79/1083750879.db2.gz JYOFCFLUTWGCDF-CZUORRHYSA-N 0 3 301.415 2.132 20 30 DEEDHN C#CCCCCC(=O)NC[C@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001107880650 1083815856 /nfs/dbraw/zinc/81/58/56/1083815856.db2.gz PUNNVJCUHYYLJQ-SJLPKXTDSA-N 0 3 308.466 2.433 20 30 DEEDHN CCCCCCCN1C[C@@H]2C(C(=O)Nc3cn[nH]c3)=NO[C@@H]2C1 ZINC001277225920 1083855262 /nfs/dbraw/zinc/85/52/62/1083855262.db2.gz ZVUXPZSVWLZSTB-UONOGXRCSA-N 0 3 319.409 2.005 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001077781541 1083878000 /nfs/dbraw/zinc/87/80/00/1083878000.db2.gz XGVDILFKWOIINV-VXGBXAGGSA-N 0 3 314.838 2.143 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)C(=O)CN1CCCC1 ZINC001492990406 1083918425 /nfs/dbraw/zinc/91/84/25/1083918425.db2.gz LMFCVTHGVBQAON-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C)CC(=O)N[C@H](C)CC)CC1 ZINC001277402933 1083951840 /nfs/dbraw/zinc/95/18/40/1083951840.db2.gz CMVKCGIYBCGDRQ-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN CCc1onc(C)c1CNCC[C@H](C)NC(=O)C#CC(C)C ZINC001272766478 1083983355 /nfs/dbraw/zinc/98/33/55/1083983355.db2.gz VQGFHZXVAUVRLD-ZDUSSCGKSA-N 0 3 305.422 2.189 20 30 DEEDHN C[C@@H](CCNCc1cc(F)ccc1F)NC(=O)C#CC1CC1 ZINC001272773211 1084006892 /nfs/dbraw/zinc/00/68/92/1084006892.db2.gz KTZJVCNAEWJINB-LBPRGKRZSA-N 0 3 306.356 2.363 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3cncc(F)c3)CC2)C1=O ZINC001272795235 1084071545 /nfs/dbraw/zinc/07/15/45/1084071545.db2.gz KODKRJHDZSVUBB-GOSISDBHSA-N 0 3 315.392 2.059 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cn(C)nc1C(C)(C)C ZINC001168596574 1084116748 /nfs/dbraw/zinc/11/67/48/1084116748.db2.gz YMZMBAPEHDDLQV-UHFFFAOYSA-N 0 3 312.845 2.180 20 30 DEEDHN N#Cc1cnc(N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)nc1 ZINC001277736650 1084120860 /nfs/dbraw/zinc/12/08/60/1084120860.db2.gz MXAHOHMFZTYRMI-SFHVURJKSA-N 0 3 322.416 2.169 20 30 DEEDHN C=CCCCN1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC001491195339 1084148057 /nfs/dbraw/zinc/14/80/57/1084148057.db2.gz CKWYXMGZUUWACM-CYBMUJFWSA-N 0 3 308.451 2.397 20 30 DEEDHN Cc1nc(C)c(CNC[C@]2(C)CCN(C(=O)C#CC3CC3)C2)o1 ZINC001671734843 1084160941 /nfs/dbraw/zinc/16/09/41/1084160941.db2.gz GBGIOEGHGYLRAW-SFHVURJKSA-N 0 3 315.417 2.033 20 30 DEEDHN C[C@H](F)CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSCC#N ZINC001670947243 1084162041 /nfs/dbraw/zinc/16/20/41/1084162041.db2.gz UEFNAWJAQDKWQC-MJBXVCDLSA-N 0 3 313.442 2.057 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H](OC)C1 ZINC001212397666 1084197902 /nfs/dbraw/zinc/19/79/02/1084197902.db2.gz PGKIBQBJAAQIRQ-CHWSQXEVSA-N 0 3 318.408 2.449 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)COCCC=C ZINC001491281887 1084207435 /nfs/dbraw/zinc/20/74/35/1084207435.db2.gz LTMUAPRUVJJTQA-SJORKVTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cn4cccc(C)c4n3)C2)C1=O ZINC001272820669 1084257181 /nfs/dbraw/zinc/25/71/81/1084257181.db2.gz DASPSLGZSDTBBA-LJQANCHMSA-N 0 3 324.428 2.253 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)C=C(C)C)C2)n1 ZINC001128082598 1084263558 /nfs/dbraw/zinc/26/35/58/1084263558.db2.gz BYTURUAQYXUNMJ-MRXNPFEDSA-N 0 3 314.433 2.018 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001491470701 1084336214 /nfs/dbraw/zinc/33/62/14/1084336214.db2.gz TYBQDIRLIDCPFD-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)CCOc1ccc(C)c(C)c1 ZINC001491475609 1084336863 /nfs/dbraw/zinc/33/68/63/1084336863.db2.gz YZYWMXJVKRPKDV-INIZCTEOSA-N 0 3 302.418 2.190 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCOCC)CCC1 ZINC001235226435 1084350962 /nfs/dbraw/zinc/35/09/62/1084350962.db2.gz QFGQITRROAFEIJ-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccnn3C(C)C)C2)C1=O ZINC001272842746 1084369883 /nfs/dbraw/zinc/36/98/83/1084369883.db2.gz DINXOLJWJCLDJR-GOSISDBHSA-N 0 3 316.449 2.465 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001272853508 1084379848 /nfs/dbraw/zinc/37/98/48/1084379848.db2.gz HLDJEEINOAZAQM-LBPRGKRZSA-N 0 3 312.845 2.164 20 30 DEEDHN C=CCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001235436032 1084429505 /nfs/dbraw/zinc/42/95/05/1084429505.db2.gz CYARIVGXGXQJEA-UHFFFAOYSA-N 0 3 305.378 2.499 20 30 DEEDHN C=CCCC(=O)NCCCN(C)C[C@H]1COc2ccccc2O1 ZINC001235451278 1084434110 /nfs/dbraw/zinc/43/41/10/1084434110.db2.gz FXLGDASFKZMANZ-HNNXBMFYSA-N 0 3 318.417 2.231 20 30 DEEDHN N#CCCCCN1CC2(C1)CN(Cc1nc3ccccc3[nH]1)C2 ZINC001277948218 1084443723 /nfs/dbraw/zinc/44/37/23/1084443723.db2.gz GOCWDAOILBLJRX-UHFFFAOYSA-N 0 3 309.417 2.374 20 30 DEEDHN CCC1=NC2(CCN(Cc3ccccc3CC#N)CC2)C(=O)N1C ZINC001235528211 1084456094 /nfs/dbraw/zinc/45/60/94/1084456094.db2.gz NXOPWPBEGXQSMS-UHFFFAOYSA-N 0 3 324.428 2.368 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)[C@@H](CC)OC)cccc2C1 ZINC001272910150 1084461984 /nfs/dbraw/zinc/46/19/84/1084461984.db2.gz YNPIYMKKQKBASN-GOSISDBHSA-N 0 3 314.429 2.109 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2=COCCC2)C12CCC2 ZINC001078569625 1084750701 /nfs/dbraw/zinc/75/07/01/1084750701.db2.gz UIJVVBWPBCRXJB-KBPBESRZSA-N 0 3 310.825 2.450 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2=COCCC2)C12CCC2 ZINC001078569634 1084751062 /nfs/dbraw/zinc/75/10/62/1084751062.db2.gz UIJVVBWPBCRXJB-ZIAGYGMSSA-N 0 3 310.825 2.450 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2coc(C)n2)C12CCC2 ZINC001078604392 1084765419 /nfs/dbraw/zinc/76/54/19/1084765419.db2.gz MRAMNQABJIAUCB-QWHCGFSZSA-N 0 3 309.797 2.366 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccn(C)c1)NCc1ccc(C#N)s1 ZINC001485868507 1084942266 /nfs/dbraw/zinc/94/22/66/1084942266.db2.gz URGCADRGWYNXGK-GFCCVEGCSA-N 0 3 316.430 2.209 20 30 DEEDHN C[C@H](CN(C)C(=O)C#CC1CC1)NCc1ccc(F)c(C#N)c1 ZINC001485872041 1084955964 /nfs/dbraw/zinc/95/59/64/1084955964.db2.gz PETVHVVWOAPHQQ-CYBMUJFWSA-N 0 3 313.376 2.047 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnn(CCC)c1C1CC1 ZINC001485942683 1085009751 /nfs/dbraw/zinc/00/97/51/1085009751.db2.gz WKIBUKCVYMGUEU-AWEZNQCLSA-N 0 3 316.449 2.244 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)c3ccccc23)C1 ZINC001486119998 1085075460 /nfs/dbraw/zinc/07/54/60/1085075460.db2.gz LFTYKPPIQLWCKO-CABCVRRESA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c(F)c2F)C1 ZINC001486126137 1085093275 /nfs/dbraw/zinc/09/32/75/1085093275.db2.gz YBGQTVYPSLZEQZ-STQMWFEESA-N 0 3 306.356 2.489 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NC/C=C/Cl)C(C)(C)C1 ZINC001486249279 1085164832 /nfs/dbraw/zinc/16/48/32/1085164832.db2.gz GJOFFZWGUPDCDR-KTRBRXNASA-N 0 3 300.830 2.158 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1=CCOCC1 ZINC000960257295 1085168062 /nfs/dbraw/zinc/16/80/62/1085168062.db2.gz NGWRMLGMCZPARV-QZTJIDSGSA-N 0 3 312.413 2.281 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NCC(=O)N[C@@H](C)CC)C(C)(C)C1 ZINC001486234822 1085173617 /nfs/dbraw/zinc/17/36/17/1085173617.db2.gz YBOAEMKCXZDGHH-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC000960321703 1085195587 /nfs/dbraw/zinc/19/55/87/1085195587.db2.gz SINCLLCWRGEOJH-LMMKCTJWSA-N 0 3 314.429 2.361 20 30 DEEDHN COCCN(CCNC(=O)[C@H](C)C#N)Cc1cc(C)ccc1C ZINC001486427610 1085300316 /nfs/dbraw/zinc/30/03/16/1085300316.db2.gz UTXGZQYTIAOLJB-MRXNPFEDSA-N 0 3 317.433 2.028 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)c1cocn1 ZINC000960501251 1085316956 /nfs/dbraw/zinc/31/69/56/1085316956.db2.gz KKVXXLKBGYZXIN-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)CCOC)CC1 ZINC001486450003 1085321388 /nfs/dbraw/zinc/32/13/88/1085321388.db2.gz XEVLBTRQEJCYBA-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001486452226 1085332550 /nfs/dbraw/zinc/33/25/50/1085332550.db2.gz GQXPLXYUDIQVTC-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(NCc2snnc2C)C1 ZINC001486475741 1085355305 /nfs/dbraw/zinc/35/53/05/1085355305.db2.gz 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ZINC001212472378 1085688830 /nfs/dbraw/zinc/68/88/30/1085688830.db2.gz PTVVHIWBPGOXAU-GDBMZVCRSA-N 0 3 306.406 2.237 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)COCCN(Cc1ccc(C)cc1)C2 ZINC001272971614 1085728772 /nfs/dbraw/zinc/72/87/72/1085728772.db2.gz JHJPFBIDDHYUMN-LJQANCHMSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000961631341 1085808059 /nfs/dbraw/zinc/80/80/59/1085808059.db2.gz SEHZVJVLCNNROG-HALDLXJZSA-N 0 3 311.385 2.023 20 30 DEEDHN CC1(C(=O)NC2CC(CNCc3cc(C#N)ccc3F)C2)CC1 ZINC000961867901 1085887275 /nfs/dbraw/zinc/88/72/75/1085887275.db2.gz WNPJHZFXQZUAQX-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc3c(ccn3C)c2)C1=O ZINC001273006102 1085887383 /nfs/dbraw/zinc/88/73/83/1085887383.db2.gz OUBNQTLPEQOAMF-HXUWFJFHSA-N 0 3 321.424 2.378 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(CC2CC2)nc1C ZINC000962140397 1085981158 /nfs/dbraw/zinc/98/11/58/1085981158.db2.gz BRGDLTWKJBMPTJ-NHAGDIPZSA-N 0 3 317.458 2.250 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3ocnc3C)C2)C1 ZINC000962284190 1086051706 /nfs/dbraw/zinc/05/17/06/1086051706.db2.gz WWKVRSUYYSLFMW-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)nc2ccccc21 ZINC000962461180 1086123124 /nfs/dbraw/zinc/12/31/24/1086123124.db2.gz HQQGOEJXKQFLSX-VQFNDLOPSA-N 0 3 307.397 2.389 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCNCc1ccc(C#N)s1)OCC ZINC001128528869 1086183917 /nfs/dbraw/zinc/18/39/17/1086183917.db2.gz ULECJRUQNGSZEJ-OAHLLOKOSA-N 0 3 321.446 2.197 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000962690607 1086202937 /nfs/dbraw/zinc/20/29/37/1086202937.db2.gz GQLOJOLIVNKYAK-UHFFFAOYSA-N 0 3 322.412 2.493 20 30 DEEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)C(F)F)C2 ZINC000963451816 1086461146 /nfs/dbraw/zinc/46/11/46/1086461146.db2.gz MEHSNONKMMAEPI-UHFFFAOYSA-N 0 3 323.181 2.177 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cccn1C)C2 ZINC000963575593 1086501960 /nfs/dbraw/zinc/50/19/60/1086501960.db2.gz 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ZINC001114724597 1088291284 /nfs/dbraw/zinc/29/12/84/1088291284.db2.gz PPFVMLDRTJKNMZ-NCOADZHNSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114723991 1088291628 /nfs/dbraw/zinc/29/16/28/1088291628.db2.gz DIAHMVRNQWNOLR-DZJNRPSUSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001079691157 1088327902 /nfs/dbraw/zinc/32/79/02/1088327902.db2.gz PTVJFAVPYMYQFP-CZUORRHYSA-N 0 3 302.422 2.234 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001079712957 1088346939 /nfs/dbraw/zinc/34/69/39/1088346939.db2.gz SPPSUOJDDXTZLC-OAGGEKHMSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001080048269 1088580649 /nfs/dbraw/zinc/58/06/49/1088580649.db2.gz JLPSCBGOLHZYRW-RHSMWYFYSA-N 0 3 314.429 2.385 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001080060214 1088589190 /nfs/dbraw/zinc/58/91/90/1088589190.db2.gz OUEJUJLSSNPDJP-MLGOLLRUSA-N 0 3 306.381 2.461 20 30 DEEDHN C=C(C)CN1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000957771987 1088608364 /nfs/dbraw/zinc/60/83/64/1088608364.db2.gz YWZAKRSGKBHUNY-UHFFFAOYSA-N 0 3 301.434 2.082 20 30 DEEDHN C=C(Cl)CN1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000957778264 1088611558 /nfs/dbraw/zinc/61/15/58/1088611558.db2.gz FALGRRHWWMCUNX-UHFFFAOYSA-N 0 3 321.852 2.259 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001080164815 1088657344 /nfs/dbraw/zinc/65/73/44/1088657344.db2.gz WDOYMKLWBYMSJH-MJKGWSOKSA-N 0 3 310.441 2.424 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001080185801 1088667660 /nfs/dbraw/zinc/66/76/60/1088667660.db2.gz LYSTVPTVHWZLJR-IUODEOHRSA-N 0 3 314.389 2.296 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001276311697 1088953888 /nfs/dbraw/zinc/95/38/88/1088953888.db2.gz NNRJYRPTNNATQV-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnn2c1CCCC2 ZINC001276317023 1088963260 /nfs/dbraw/zinc/96/32/60/1088963260.db2.gz USWJUSJBKVKYLQ-UHFFFAOYSA-N 0 3 310.829 2.024 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001080492725 1089004172 /nfs/dbraw/zinc/00/41/72/1089004172.db2.gz DXOZZHBBQAQNFV-QMTHXVAHSA-N 0 3 310.319 2.177 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cccc3ccsc32)C1 ZINC000958559041 1089056990 /nfs/dbraw/zinc/05/69/90/1089056990.db2.gz LSGOOVBETUUEGS-ZFWWWQNUSA-N 0 3 316.426 2.110 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC000958613065 1089097839 /nfs/dbraw/zinc/09/78/39/1089097839.db2.gz JKQGAYQTJNJURV-MOPGFXCFSA-N 0 3 324.424 2.438 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cc(C)c(CC)s2)[C@H](O)C1 ZINC000958650370 1089123907 /nfs/dbraw/zinc/12/39/07/1089123907.db2.gz WLMZUNLOASILHH-ZIAGYGMSSA-N 0 3 322.474 2.218 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(CC(C)C)cc2)[C@H](O)C1 ZINC000958658321 1089131785 /nfs/dbraw/zinc/13/17/85/1089131785.db2.gz YBFCZLDPNZRIEZ-QZTJIDSGSA-N 0 3 316.445 2.094 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001080753454 1089169923 /nfs/dbraw/zinc/16/99/23/1089169923.db2.gz JCDMXDURPLVMLD-CZUORRHYSA-N 0 3 304.438 2.399 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC001080946610 1089254800 /nfs/dbraw/zinc/25/48/00/1089254800.db2.gz IKGFOBGGRJZMRA-CZUORRHYSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001081024835 1089283931 /nfs/dbraw/zinc/28/39/31/1089283931.db2.gz VBZHIZPOPCOKQX-XFQXTVEOSA-N 0 3 310.441 2.350 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1c1ccccc1 ZINC001081112700 1089357023 /nfs/dbraw/zinc/35/70/23/1089357023.db2.gz WHPLNFPZEVVYQM-DLBZAZTESA-N 0 3 307.397 2.154 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)Cc2cccs2)[C@H](OC)C1 ZINC001081285204 1089393715 /nfs/dbraw/zinc/39/37/15/1089393715.db2.gz IFUMQGBEQJUVMV-HUUCEWRRSA-N 0 3 308.447 2.072 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H](OC)C1 ZINC001081775173 1089453864 /nfs/dbraw/zinc/45/38/64/1089453864.db2.gz CMBICDZWRXXSAZ-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)n(CC)c2C)[C@H](OC)C1 ZINC001081910666 1089538656 /nfs/dbraw/zinc/53/86/56/1089538656.db2.gz ALEDFRRKPXUUHP-IAGOWNOFSA-N 0 3 319.449 2.130 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001276361780 1089651981 /nfs/dbraw/zinc/65/19/81/1089651981.db2.gz RLEYENCPYFBVFE-ZDUSSCGKSA-N 0 3 308.466 2.308 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2cc(C)ccc2F)[C@H](OC)C1 ZINC001082336281 1089860568 /nfs/dbraw/zinc/86/05/68/1089860568.db2.gz GWLHPCAIWJKHSA-IAGOWNOFSA-N 0 3 320.408 2.068 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H](OC)C1 ZINC001082363355 1089881363 /nfs/dbraw/zinc/88/13/63/1089881363.db2.gz ZPHOFRMTCKATRE-QZTJIDSGSA-N 0 3 314.429 2.180 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@H](OC)C1 ZINC001082382104 1089897604 /nfs/dbraw/zinc/89/76/04/1089897604.db2.gz OZKNYWHOMOIBGT-IAGOWNOFSA-N 0 3 317.433 2.094 20 30 DEEDHN CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001082687178 1090037911 /nfs/dbraw/zinc/03/79/11/1090037911.db2.gz ZGWNHWJMYOFYRK-DDTOSNHZSA-N 0 3 309.410 2.304 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](OC(C)C)c2ccccc2)CCC1 ZINC001273208538 1090107785 /nfs/dbraw/zinc/10/77/85/1090107785.db2.gz PAWRBOPTPRCNDM-QGZVFWFLSA-N 0 3 314.429 2.414 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)[C@@H](O)C1 ZINC001083953062 1090180787 /nfs/dbraw/zinc/18/07/87/1090180787.db2.gz GAYVHYVJVFDRIP-XHSDSOJGSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)CCC(C)CC2)[C@@H](O)C1 ZINC001084104854 1090199837 /nfs/dbraw/zinc/19/98/37/1090199837.db2.gz JNLLPOOBSLKDGU-NDUQDZPOSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)nc3OC)[C@@H]2C1 ZINC001084705748 1090405299 /nfs/dbraw/zinc/40/52/99/1090405299.db2.gz NQTHMBOFBQCURX-GDBMZVCRSA-N 0 3 315.417 2.121 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccccc43)[C@@H]2C1 ZINC001084724886 1090413299 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C=CCN1CC[C@@]2(CCCN2Cc2cccc3c[nH]nc32)C1=O ZINC001274250663 1091150703 /nfs/dbraw/zinc/15/07/03/1091150703.db2.gz KXSSMHQBBQVUOP-SFHVURJKSA-N 0 3 310.401 2.316 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CC)CCn2cc(Cl)cn2)C1 ZINC001493017049 1091151316 /nfs/dbraw/zinc/15/13/16/1091151316.db2.gz UIZKUKCPFDHBNI-UHFFFAOYSA-N 0 3 324.856 2.331 20 30 DEEDHN Cc1cccnc1CN1CC[C@]2(NC(=O)[C@@H](C)C#N)CCC[C@@H]12 ZINC001410864991 1091176135 /nfs/dbraw/zinc/17/61/35/1091176135.db2.gz BGASBRYKAOMBPN-YXJHDRRASA-N 0 3 312.417 2.163 20 30 DEEDHN CN1CC[C@]2(CCN(Cc3cc(Cl)cc(C#N)c3)C2)C1=O ZINC001274426152 1091238119 /nfs/dbraw/zinc/23/81/19/1091238119.db2.gz VRAKHSHFCMCSNZ-MRXNPFEDSA-N 0 3 303.793 2.266 20 30 DEEDHN C=CCCC(=O)N1CCN(C2CN([C@@H](C)CCC=C)C2)CC1 ZINC001274467745 1091259724 /nfs/dbraw/zinc/25/97/24/1091259724.db2.gz JOBKOURKTGQSNK-INIZCTEOSA-N 0 3 305.466 2.136 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)cccc1OC ZINC001274651965 1091351786 /nfs/dbraw/zinc/35/17/86/1091351786.db2.gz 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C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)OC ZINC001488695212 1092692727 /nfs/dbraw/zinc/69/27/27/1092692727.db2.gz XXMJEUJSKCIPGJ-MSOLQXFVSA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001488736269 1092715745 /nfs/dbraw/zinc/71/57/45/1092715745.db2.gz LBPMDJUSYXTQIQ-BETUJISGSA-N 0 3 313.405 2.022 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)OCC(C)C)C2)CC1 ZINC001488974671 1092858927 /nfs/dbraw/zinc/85/89/27/1092858927.db2.gz SQJZUVPXFITFRA-DLBZAZTESA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)[C@H]1C ZINC001489287944 1093004577 /nfs/dbraw/zinc/00/45/77/1093004577.db2.gz ZRYQTVWWZDBYJD-OLMNPRSZSA-N 0 3 314.429 2.108 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001489347465 1093032603 /nfs/dbraw/zinc/03/26/03/1093032603.db2.gz NETVJYSPMAZQFL-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)OCc1ccccc1C ZINC001490228053 1093248017 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ZINC001274111215 1093803227 /nfs/dbraw/zinc/80/32/27/1093803227.db2.gz SOSHWFDGTSNXSR-UHFFFAOYSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cncc(C4CC4)c3)CC2)C1=O ZINC001274138813 1093816442 /nfs/dbraw/zinc/81/64/42/1093816442.db2.gz TXVKBHJOTHFNAM-UHFFFAOYSA-N 0 3 323.440 2.407 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCN(CCc2ccns2)C1 ZINC001480247259 1151721877 /nfs/dbraw/zinc/72/18/77/1151721877.db2.gz QTHLRDZJKDZCDA-CQSZACIVSA-N 0 3 307.463 2.480 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnn(C2CCCCC2)c1 ZINC001277988308 1138383295 /nfs/dbraw/zinc/38/32/95/1138383295.db2.gz NWZHNDDOPUUWRQ-HNNXBMFYSA-N 0 3 316.449 2.462 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@]1(C)CCOc2ccccc21 ZINC001277988464 1138383520 /nfs/dbraw/zinc/38/35/20/1138383520.db2.gz PWWRXWOUTMURCA-BEFAXECRSA-N 0 3 314.429 2.187 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001278099654 1138632191 /nfs/dbraw/zinc/63/21/91/1138632191.db2.gz NDTZJCNWBPIVFS-INIZCTEOSA-N 0 3 304.434 2.241 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccc(CC)cc2)C1 ZINC001278147922 1138793659 /nfs/dbraw/zinc/79/36/59/1138793659.db2.gz OEERJLIYADZZBK-QGZVFWFLSA-N 0 3 316.445 2.172 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cccc4cncn43)C2)C1=O ZINC001238104336 1138823048 /nfs/dbraw/zinc/82/30/48/1138823048.db2.gz LLENMMKDIGOUEG-IBGZPJMESA-N 0 3 324.428 2.335 20 30 DEEDHN COCCCN1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238191280 1138833499 /nfs/dbraw/zinc/83/34/99/1138833499.db2.gz LAYPGFDZOCBWHR-UHFFFAOYSA-N 0 3 307.825 2.366 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)[N-][C@]1(C#N)CC[NH2+]C1 ZINC001238395842 1138843600 /nfs/dbraw/zinc/84/36/00/1138843600.db2.gz LCINJXJCGRXDTM-HNNXBMFYSA-N 0 3 315.483 2.302 20 30 DEEDHN CCc1cc(CN2CCC3(CC2)N=C(C)N(C)C3=O)ccc1C#N ZINC001238772354 1138873715 /nfs/dbraw/zinc/87/37/15/1138873715.db2.gz OWEDLNJNZJUYIJ-UHFFFAOYSA-N 0 3 324.428 2.346 20 30 DEEDHN N#Cc1ncc(-c2cncc([C@@H]3CN4CCC3CC4)n2)cc1F ZINC001238993023 1138896405 /nfs/dbraw/zinc/89/64/05/1138896405.db2.gz OPFAJIQWLOJAPB-CYBMUJFWSA-N 0 3 309.348 2.359 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001278292438 1139018754 /nfs/dbraw/zinc/01/87/54/1139018754.db2.gz FSVWNDJWTPFBIP-DOTOQJQBSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001294748878 1139262517 /nfs/dbraw/zinc/26/25/17/1139262517.db2.gz PSZIXAUGIUYSLR-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1nnc(-c2cccc(CN3CCN(C)CC3)c2)c(C#N)c1C ZINC001240283751 1139317105 /nfs/dbraw/zinc/31/71/05/1139317105.db2.gz OVNAGIHQEIKTMF-UHFFFAOYSA-N 0 3 321.428 2.380 20 30 DEEDHN N#Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240350961 1139344760 /nfs/dbraw/zinc/34/47/60/1139344760.db2.gz LJLKCDHKEDHQJM-UHFFFAOYSA-N 0 3 302.341 2.092 20 30 DEEDHN N#Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240350961 1139344768 /nfs/dbraw/zinc/34/47/68/1139344768.db2.gz LJLKCDHKEDHQJM-UHFFFAOYSA-N 0 3 302.341 2.092 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001295510814 1139418354 /nfs/dbraw/zinc/41/83/54/1139418354.db2.gz VPRUVIWJBBRGMX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4nnccc4C#N)cc3)CC2)CC1 ZINC001240573184 1139436185 /nfs/dbraw/zinc/43/61/85/1139436185.db2.gz FGCJBTSTSLXOQA-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001295864298 1139615665 /nfs/dbraw/zinc/61/56/65/1139615665.db2.gz KPCKJEIAWXVZCB-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)c1nccc(CN2CC[C@H](CO)C2)c1C(OC)OC ZINC001240833717 1139643257 /nfs/dbraw/zinc/64/32/57/1139643257.db2.gz XQPLMYPMBIFLHS-ZDUSSCGKSA-N 0 3 306.406 2.220 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001296108179 1139709085 /nfs/dbraw/zinc/70/90/85/1139709085.db2.gz RYOKKKKUMGZFIR-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)CN(C)C1CCC1 ZINC001298755760 1140081137 /nfs/dbraw/zinc/08/11/37/1140081137.db2.gz UVPWJTNGSYCIIU-UHFFFAOYSA-N 0 3 315.417 2.018 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cnn(C2CCCC2)c1C ZINC001491634682 1140224810 /nfs/dbraw/zinc/22/48/10/1140224810.db2.gz IILCMBZIOBBOKL-ZDUSSCGKSA-N 0 3 302.422 2.038 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2nc(C(C)C)oc2C)C1 ZINC001278370584 1140240713 /nfs/dbraw/zinc/24/07/13/1140240713.db2.gz JYWJLGFGGHRTAO-OCCSQVGLSA-N 0 3 303.406 2.322 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC/C=C\Cl)C1 ZINC001316668323 1140287687 /nfs/dbraw/zinc/28/76/87/1140287687.db2.gz FBJFSGACLPSECC-RUCLMCIISA-N 0 3 322.840 2.023 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001318446403 1140333822 /nfs/dbraw/zinc/33/38/22/1140333822.db2.gz VJLWZUBNXCRWKJ-MSOLQXFVSA-N 0 3 315.461 2.398 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2ccc(OC)nc2)C1 ZINC001318480915 1140343516 /nfs/dbraw/zinc/34/35/16/1140343516.db2.gz ZHPKSJVULPHIGG-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccns1)NCC#Cc1ccccc1 ZINC001318527432 1140359746 /nfs/dbraw/zinc/35/97/46/1140359746.db2.gz DLGLXZXZUPVSAV-HNNXBMFYSA-N 0 3 313.426 2.293 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001318569658 1140366314 /nfs/dbraw/zinc/36/63/14/1140366314.db2.gz ILNNUFJYGBKGLT-QWHCGFSZSA-N 0 3 319.453 2.269 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccn(CC(C)C)n2)cc1 ZINC001318995669 1140487638 /nfs/dbraw/zinc/48/76/38/1140487638.db2.gz HQEVFVPIMXZVRM-UHFFFAOYSA-N 0 3 324.428 2.192 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccc(C)nc2OC)cc1 ZINC001318999879 1140488553 /nfs/dbraw/zinc/48/85/53/1140488553.db2.gz FSMNTBHMKBJIGO-UHFFFAOYSA-N 0 3 323.396 2.051 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccn(CC)c2C)cc1 ZINC001318999483 1140489043 /nfs/dbraw/zinc/48/90/43/1140489043.db2.gz YHGOIVWIMZMIKF-UHFFFAOYSA-N 0 3 309.413 2.469 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)COc2ccsc2)cc1 ZINC001319006908 1140490059 /nfs/dbraw/zinc/49/00/59/1140490059.db2.gz RRNXGXKVADSYGN-UHFFFAOYSA-N 0 3 314.410 2.166 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](C)CNCc1ccncc1Cl ZINC001319186701 1140520948 /nfs/dbraw/zinc/52/09/48/1140520948.db2.gz WUZKIVYHEIARGJ-CYBMUJFWSA-N 0 3 307.825 2.236 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCCC1 ZINC001319516251 1140607401 /nfs/dbraw/zinc/60/74/01/1140607401.db2.gz WFKSYVABRZXYHQ-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)C(C)(C)CCC)C1=O ZINC001319523415 1140609282 /nfs/dbraw/zinc/60/92/82/1140609282.db2.gz QRQNCGGLLYOOKH-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C1CCCCC1 ZINC001319651657 1140641519 /nfs/dbraw/zinc/64/15/19/1140641519.db2.gz PHKLSKKZRSDMAN-ZFWWWQNUSA-N 0 3 323.481 2.117 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1cc(C)ncn1)C(C)C ZINC001319937326 1140805183 /nfs/dbraw/zinc/80/51/83/1140805183.db2.gz VENRIOWXWWJYFH-HNNXBMFYSA-N 0 3 304.438 2.228 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001278416059 1140815476 /nfs/dbraw/zinc/81/54/76/1140815476.db2.gz KFSUGNMBDFPDOK-GDBMZVCRSA-N 0 3 309.413 2.313 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1ccn(C)n1 ZINC001320154380 1140830879 /nfs/dbraw/zinc/83/08/79/1140830879.db2.gz NXFCRDJRXZXGQB-HOCLYGCPSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNCc2cnnn2CC)CC1 ZINC001320545600 1140877605 /nfs/dbraw/zinc/87/76/05/1140877605.db2.gz YRCWUYVUWPKARS-CQSZACIVSA-N 0 3 319.453 2.029 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2ccc(CC)cc2)C1 ZINC001278444844 1140891706 /nfs/dbraw/zinc/89/17/06/1140891706.db2.gz URDBOWFCHXGGLS-GOSISDBHSA-N 0 3 302.418 2.394 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C[C@H]1CCCC[C@@H]1C ZINC001320928436 1140994520 /nfs/dbraw/zinc/99/45/20/1140994520.db2.gz AOJYWXAQMYKQPD-DLBZAZTESA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)C(F)(F)F)CCC[C@@H]12 ZINC001278459788 1141023058 /nfs/dbraw/zinc/02/30/58/1141023058.db2.gz OGOQAHUPQUAOBJ-YRGRVCCFSA-N 0 3 302.340 2.321 20 30 DEEDHN Cc1ccc(CC(=O)NC/C=C/CNCc2cccc(C#N)c2)o1 ZINC001321027428 1141033658 /nfs/dbraw/zinc/03/36/58/1141033658.db2.gz CFEQOXYMQRNASO-NSCUHMNNSA-N 0 3 323.396 2.464 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001321176784 1141075787 /nfs/dbraw/zinc/07/57/87/1141075787.db2.gz VFXAFEFFACHKQL-TUYSUELWSA-N 0 3 314.429 2.185 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001321176783 1141075924 /nfs/dbraw/zinc/07/59/24/1141075924.db2.gz VFXAFEFFACHKQL-LXXRFIIISA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccc(F)cc1C ZINC001322279993 1141501318 /nfs/dbraw/zinc/50/13/18/1141501318.db2.gz CLCZYOMTNKDECA-CQSZACIVSA-N 0 3 308.397 2.387 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1cncn1C)C1CC1 ZINC001323075872 1141808994 /nfs/dbraw/zinc/80/89/94/1141808994.db2.gz GFTVIZGITVWLAQ-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001323224796 1141829490 /nfs/dbraw/zinc/82/94/90/1141829490.db2.gz DXYNRPYJVIUAPJ-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccnc(N(C)C)c2)CC1 ZINC001323516521 1141861282 /nfs/dbraw/zinc/86/12/82/1141861282.db2.gz QVDLNWCWRAPMIK-UHFFFAOYSA-N 0 3 316.449 2.098 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCn2nc(C)cc2C)[C@H]1C ZINC001278515294 1141877277 /nfs/dbraw/zinc/87/72/77/1141877277.db2.gz FDMHIEAQMGBLGN-IAGOWNOFSA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCC(=O)OCC)cc2)C1 ZINC001323784153 1141886164 /nfs/dbraw/zinc/88/61/64/1141886164.db2.gz CBZRICKVMWLVRG-QGZVFWFLSA-N 0 3 319.401 2.405 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001323802569 1141887932 /nfs/dbraw/zinc/88/79/32/1141887932.db2.gz JPWGQAJXIXBCOO-IBGZPJMESA-N 0 3 300.446 2.374 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCCN(Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429069 1141888687 /nfs/dbraw/zinc/88/86/87/1141888687.db2.gz MJFLNEYDWKFVQS-OAHLLOKOSA-N 0 3 310.401 2.340 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)COCc2ccncc2)[C@@H]1C ZINC001278526916 1142000524 /nfs/dbraw/zinc/00/05/24/1142000524.db2.gz OBAOTTUHYJKAJX-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCNC(=O)CC(C)C)[C@H]1C ZINC001278533285 1142018240 /nfs/dbraw/zinc/01/82/40/1142018240.db2.gz PVRRRPUXMRJKJY-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCn2ccnc2)[C@H]1C ZINC001278533507 1142019921 /nfs/dbraw/zinc/01/99/21/1142019921.db2.gz UXZRKUYADVFEPW-HZPDHXFCSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@](C)(CNCc2nccn2C)C1 ZINC001278536872 1142029197 /nfs/dbraw/zinc/02/91/97/1142029197.db2.gz TYXJCMDPIOLULA-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NCCCC ZINC001324207095 1142030254 /nfs/dbraw/zinc/03/02/54/1142030254.db2.gz OERUJPSCOGFWCM-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)CSC)C2 ZINC001324550505 1142098572 /nfs/dbraw/zinc/09/85/72/1142098572.db2.gz UROVPYAHDOXUIB-RDJZCZTQSA-N 0 3 308.491 2.323 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C[C@@H](CC)C(C)C)CC2)C1 ZINC001324561898 1142102201 /nfs/dbraw/zinc/10/22/01/1142102201.db2.gz YUZYXKKARDDQRC-MSOLQXFVSA-N 0 3 321.509 2.463 20 30 DEEDHN N#C[C@H]1CCCN(C[C@H](O)COc2ccc(F)cc2F)CC1 ZINC001250856214 1142336795 /nfs/dbraw/zinc/33/67/95/1142336795.db2.gz DWGSADKBMWTOQG-JSGCOSHPSA-N 0 3 310.344 2.330 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(C3CC3)no2)CC1 ZINC001278627293 1142374552 /nfs/dbraw/zinc/37/45/52/1142374552.db2.gz ODUYKMCOZJJMSB-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN CCC(=CC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1)CC ZINC001278636059 1142478202 /nfs/dbraw/zinc/47/82/02/1142478202.db2.gz QCEIBCIOHSSVSK-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCOC[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC001251893449 1142536095 /nfs/dbraw/zinc/53/60/95/1142536095.db2.gz DXPPOBVWVOXHHQ-OALUTQOASA-N 0 3 311.381 2.082 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC001336722034 1142546329 /nfs/dbraw/zinc/54/63/29/1142546329.db2.gz JGBVTINBVMIQRS-HOTGVXAUSA-N 0 3 323.481 2.334 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCN(CCCO)CC1 ZINC001252123308 1142648557 /nfs/dbraw/zinc/64/85/57/1142648557.db2.gz FSMALJVKSIFOET-QGZVFWFLSA-N 0 3 300.487 2.098 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC001337127904 1142691653 /nfs/dbraw/zinc/69/16/53/1142691653.db2.gz JRLPJNWGFPUTMJ-AWEZNQCLSA-N 0 3 315.417 2.116 20 30 DEEDHN C=CCOC[C@H](O)CN1CCC[C@H](Oc2ccccc2OC)C1 ZINC001252466557 1142723770 /nfs/dbraw/zinc/72/37/70/1142723770.db2.gz QCHQGEMTNFEHSS-CVEARBPZSA-N 0 3 321.417 2.102 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC001252497269 1142735281 /nfs/dbraw/zinc/73/52/81/1142735281.db2.gz NGLJUCUUGCXMTP-ZDUSSCGKSA-N 0 3 314.307 2.230 20 30 DEEDHN C=C[C@](C)(O)CN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001252559191 1142765763 /nfs/dbraw/zinc/76/57/63/1142765763.db2.gz SHWRKHSHODHPAQ-VBQJREDUSA-N 0 3 310.438 2.397 20 30 DEEDHN C=C[C@@](C)(O)CNCC(=O)Nc1cc2ccccc2c(OC)c1 ZINC001252585547 1142771669 /nfs/dbraw/zinc/77/16/69/1142771669.db2.gz QAJWUPNPOOMDKW-GOSISDBHSA-N 0 3 314.385 2.314 20 30 DEEDHN C=C[C@](C)(O)CN[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC001252586344 1142771764 /nfs/dbraw/zinc/77/17/64/1142771764.db2.gz ZFCLEDKWMBHEEM-HKUYNNGSSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001252599572 1142781464 /nfs/dbraw/zinc/78/14/64/1142781464.db2.gz BTZODEMQZOQVMJ-MRXNPFEDSA-N 0 3 314.433 2.008 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](CC(=O)OC)c1cccc(OC)c1 ZINC001252622062 1142793879 /nfs/dbraw/zinc/79/38/79/1142793879.db2.gz NNTIORZPAOIQSF-ZBFHGGJFSA-N 0 3 307.390 2.216 20 30 DEEDHN COc1ccc(OC[C@@H](O)CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001252719594 1142812208 /nfs/dbraw/zinc/81/22/08/1142812208.db2.gz ZRILYNGTWZMCKX-JONQDZQNSA-N 0 3 316.401 2.201 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001278682022 1142815212 /nfs/dbraw/zinc/81/52/12/1142815212.db2.gz QDQIWZHVIHAEPT-DOTOQJQBSA-N 0 3 304.438 2.239 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(C[C@@](C)(O)c2ccccc2)C1 ZINC001253107446 1142844100 /nfs/dbraw/zinc/84/41/00/1142844100.db2.gz QCTFFDVDNOZYFE-SJLPKXTDSA-N 0 3 318.417 2.271 20 30 DEEDHN C=CCCCCCC[C@@H](O)CNCc1cncc(C(N)=O)c1 ZINC001253255424 1142857576 /nfs/dbraw/zinc/85/75/76/1142857576.db2.gz YHELJPZMYJREGE-MRXNPFEDSA-N 0 3 305.422 2.158 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)CCOCc2ccccc2)o1 ZINC001253293387 1142862122 /nfs/dbraw/zinc/86/21/22/1142862122.db2.gz FCVJOIMXCXWBMD-HNNXBMFYSA-N 0 3 300.358 2.209 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001338694757 1142871075 /nfs/dbraw/zinc/87/10/75/1142871075.db2.gz ZHEZYAXXLXCRPW-QLFBSQMISA-N 0 3 321.444 2.458 20 30 DEEDHN C=CCn1c(-c2cocn2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001338940677 1142893481 /nfs/dbraw/zinc/89/34/81/1142893481.db2.gz ATHKGXVKFGTJKR-CYBMUJFWSA-N 0 3 316.409 2.040 20 30 DEEDHN C=CC[C@H]1NC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC001339059846 1142909514 /nfs/dbraw/zinc/90/95/14/1142909514.db2.gz DQKSDROJUSKHDU-HZPDHXFCSA-N 0 3 313.401 2.148 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001339718965 1143087181 /nfs/dbraw/zinc/08/71/81/1143087181.db2.gz CIWFGNDLFUICHL-UONOGXRCSA-N 0 3 302.426 2.012 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC001340127764 1143274590 /nfs/dbraw/zinc/27/45/90/1143274590.db2.gz CKOXSSNGYFYOQE-RCBQFDQVSA-N 0 3 308.397 2.438 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]2OCC[C@H]21 ZINC001254636045 1143291818 /nfs/dbraw/zinc/29/18/18/1143291818.db2.gz HLLRVEWGQGPSKV-XPABHHOTSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC001254661746 1143302400 /nfs/dbraw/zinc/30/24/00/1143302400.db2.gz XUKQTKZDCYGYOB-HUUCEWRRSA-N 0 3 303.406 2.399 20 30 DEEDHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NCC1(C#N)CC1)CCO2 ZINC001254809113 1143326931 /nfs/dbraw/zinc/32/69/31/1143326931.db2.gz XPEMASJJUJJYDW-CYBMUJFWSA-N 0 3 321.421 2.048 20 30 DEEDHN C=CCn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@](C)(O)CC ZINC001340400353 1143338461 /nfs/dbraw/zinc/33/84/61/1143338461.db2.gz WEESUKQIJUKYMX-QGZVFWFLSA-N 0 3 321.469 2.002 20 30 DEEDHN C#CCN(CC#C)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254910913 1143358827 /nfs/dbraw/zinc/35/88/27/1143358827.db2.gz AQXIPEZKOIHAGY-ZSHCYNCHSA-N 0 3 302.418 2.200 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC001340620273 1143384223 /nfs/dbraw/zinc/38/42/23/1143384223.db2.gz IKGRCIOAWZYGQG-QGZVFWFLSA-N 0 3 312.417 2.231 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001340695042 1143400874 /nfs/dbraw/zinc/40/08/74/1143400874.db2.gz GOLUKISGFYATRL-HNNXBMFYSA-N 0 3 323.481 2.193 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001340863819 1143471328 /nfs/dbraw/zinc/47/13/28/1143471328.db2.gz ZUWQKUTWKZNDBM-HOTGVXAUSA-N 0 3 323.481 2.334 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1nc2ccccc2n1C ZINC001340873986 1143476151 /nfs/dbraw/zinc/47/61/51/1143476151.db2.gz WOSGEOPDLGNVEF-CHWSQXEVSA-N 0 3 300.406 2.434 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](c2nc(CC)no2)C1 ZINC001341190260 1143560636 /nfs/dbraw/zinc/56/06/36/1143560636.db2.gz BYHZINWMAJCNOU-AGIUHOORSA-N 0 3 306.410 2.068 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001341579525 1143632246 /nfs/dbraw/zinc/63/22/46/1143632246.db2.gz QIHMKIFESDFNJW-SDDRHHMPSA-N 0 3 308.344 2.238 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2cncs2)cc1 ZINC001341914460 1143741978 /nfs/dbraw/zinc/74/19/78/1143741978.db2.gz IRPLODBUFZDFKB-ZDUSSCGKSA-N 0 3 315.354 2.042 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cncc(C#N)c2)C1 ZINC001255590661 1143772390 /nfs/dbraw/zinc/77/23/90/1143772390.db2.gz HAWQQAOZYDMHFH-AWEZNQCLSA-N 0 3 302.378 2.052 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC001342199743 1143803022 /nfs/dbraw/zinc/80/30/22/1143803022.db2.gz QAKBAPZNTHGZCO-AWEZNQCLSA-N 0 3 302.422 2.168 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001342513807 1143821518 /nfs/dbraw/zinc/82/15/18/1143821518.db2.gz DVZFDJUFMZVKLI-CMPLNLGQSA-N 0 3 321.318 2.291 20 30 DEEDHN C=CCOc1ccccc1[C@@H](C)NC1CCS(=O)(=O)CC1 ZINC001256380877 1143845982 /nfs/dbraw/zinc/84/59/82/1143845982.db2.gz YEASGSYFQOQHJA-CYBMUJFWSA-N 0 3 309.431 2.479 20 30 DEEDHN CSC(C)(C)C[C@H](C)N1CCN(c2nccnc2C#N)CC1 ZINC001258342152 1143993038 /nfs/dbraw/zinc/99/30/38/1143993038.db2.gz RFFGWDAQBGSIHT-ZDUSSCGKSA-N 0 3 319.478 2.390 20 30 DEEDHN C=CCc1cc(CN[C@H](C)COC(C)=O)cc(OC)c1OC ZINC001262360474 1144309215 /nfs/dbraw/zinc/30/92/15/1144309215.db2.gz HPEGGKHLSCFHCG-GFCCVEGCSA-N 0 3 307.390 2.474 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC001263157180 1144358917 /nfs/dbraw/zinc/35/89/17/1144358917.db2.gz QYAMZNADPIEOMA-UGUYLWEFSA-N 0 3 322.449 2.250 20 30 DEEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC001263859987 1144414240 /nfs/dbraw/zinc/41/42/40/1144414240.db2.gz HCXKUHCIMSGZMT-JYJNAYRXSA-N 0 3 318.367 2.178 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CC[C@@H](NCc2ocnc2C)C1 ZINC001263897489 1144421120 /nfs/dbraw/zinc/42/11/20/1144421120.db2.gz AFMYPUMMUZGUBC-LSDHHAIUSA-N 0 3 303.406 2.161 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ncccn1 ZINC001263959800 1144433847 /nfs/dbraw/zinc/43/38/47/1144433847.db2.gz ZVQUQGPDETZYJG-OCCSQVGLSA-N 0 3 322.840 2.450 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC001264080796 1144457344 /nfs/dbraw/zinc/45/73/44/1144457344.db2.gz WINPKWSTLYVTLL-HNNXBMFYSA-N 0 3 320.433 2.488 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)OCCCC)CC(C)(C)C1 ZINC001264192589 1144503180 /nfs/dbraw/zinc/50/31/80/1144503180.db2.gz BOZHMBDKHDWSKA-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1nc(C)sc1C ZINC001264363427 1144513057 /nfs/dbraw/zinc/51/30/57/1144513057.db2.gz CQSIHNRLBNAIKV-AWEZNQCLSA-N 0 3 307.463 2.411 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001264423025 1144536083 /nfs/dbraw/zinc/53/60/83/1144536083.db2.gz IQLDGSIPBQRYQY-SHTZXODSSA-N 0 3 317.433 2.431 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H]1CCCC[C@H]1CC ZINC001264667565 1144588304 /nfs/dbraw/zinc/58/83/04/1144588304.db2.gz GBOAQHFHXUVJTM-SJORKVTESA-N 0 3 308.466 2.243 20 30 DEEDHN Cc1ncsc1CCN1CC[C@H](NC(=O)C#CC(C)C)[C@H]1C ZINC001264700188 1144597945 /nfs/dbraw/zinc/59/79/45/1144597945.db2.gz WMOHPQAUNAKWAK-CABCVRRESA-N 0 3 319.474 2.232 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@H](C)OC)C2 ZINC001281085149 1144599983 /nfs/dbraw/zinc/59/99/83/1144599983.db2.gz HTKGUMBBWZQENB-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN CCOCCN1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001264732267 1144602359 /nfs/dbraw/zinc/60/23/59/1144602359.db2.gz CSOLHCBBHWVEBV-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnn(C(F)F)c1 ZINC001264744311 1144604231 /nfs/dbraw/zinc/60/42/31/1144604231.db2.gz RKZIARGYTMLYLO-ZDUSSCGKSA-N 0 3 312.364 2.391 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cnn(C)c1 ZINC001265080300 1144639110 /nfs/dbraw/zinc/63/91/10/1144639110.db2.gz PWAYWQQGIPOPEP-GOEBONIOSA-N 0 3 304.438 2.246 20 30 DEEDHN CCN(CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H](C)C#N ZINC001265107000 1144644732 /nfs/dbraw/zinc/64/47/32/1144644732.db2.gz WDWYTTLAUAMCHZ-OAHLLOKOSA-N 0 3 315.392 2.165 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001265233418 1144673829 /nfs/dbraw/zinc/67/38/29/1144673829.db2.gz SOWJHZAMZGOVDS-HNNXBMFYSA-N 0 3 320.820 2.323 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001265274641 1144678625 /nfs/dbraw/zinc/67/86/25/1144678625.db2.gz GGGNZENZEVDAOS-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCCO1 ZINC001265412034 1144702673 /nfs/dbraw/zinc/70/26/73/1144702673.db2.gz XCDVJAPOTXCIEQ-WCXIOVBPSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001265412033 1144702689 /nfs/dbraw/zinc/70/26/89/1144702689.db2.gz XCDVJAPOTXCIEQ-NXOAAHMSSA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cnc3ccccc3c2C)C1 ZINC001265439148 1144704102 /nfs/dbraw/zinc/70/41/02/1144704102.db2.gz XQVZZQRSPQECGJ-HNNXBMFYSA-N 0 3 307.397 2.371 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001265446763 1144704577 /nfs/dbraw/zinc/70/45/77/1144704577.db2.gz PZAUJAAELRAENS-JTQLQIEISA-N 0 3 312.747 2.446 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001265508286 1144708308 /nfs/dbraw/zinc/70/83/08/1144708308.db2.gz BNSRGSHECMWDHI-SHTZXODSSA-N 0 3 306.381 2.155 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C1)C(F)F ZINC001265526312 1144709084 /nfs/dbraw/zinc/70/90/84/1144709084.db2.gz XMMUNWURKILLHA-BETUJISGSA-N 0 3 312.747 2.193 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001265553403 1144711497 /nfs/dbraw/zinc/71/14/97/1144711497.db2.gz QAUQLHYLTLTIAM-KFWWJZLASA-N 0 3 317.433 2.429 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC001265577083 1144713255 /nfs/dbraw/zinc/71/32/55/1144713255.db2.gz BNPCZYSMISJUTO-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001265577082 1144713628 /nfs/dbraw/zinc/71/36/28/1144713628.db2.gz BNPCZYSMISJUTO-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001265621313 1144718784 /nfs/dbraw/zinc/71/87/84/1144718784.db2.gz HDCKZTJSTGRWOO-INIZCTEOSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)NC(C)(C)C ZINC001265663562 1144724553 /nfs/dbraw/zinc/72/45/53/1144724553.db2.gz JDXXVYMKVQXMSP-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCC(=O)NCCC ZINC001265683689 1144727075 /nfs/dbraw/zinc/72/70/75/1144727075.db2.gz FJBOJNTVDHOFKB-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCOc1cc(C)cc(C)c1 ZINC001265782345 1144740712 /nfs/dbraw/zinc/74/07/12/1144740712.db2.gz WEAWWJSJCWSXKT-MRXNPFEDSA-N 0 3 302.418 2.190 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001265947726 1144765578 /nfs/dbraw/zinc/76/55/78/1144765578.db2.gz WKDNSHPMBIPJNS-AEGPPILISA-N 0 3 318.367 2.282 20 30 DEEDHN COCC(=O)N1CCCC[C@H]1[C@H](C)NCC#Cc1ccccc1 ZINC001265988755 1144778117 /nfs/dbraw/zinc/77/81/17/1144778117.db2.gz TVVRHKMBCITAJB-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H]1CCO[C@H](CC)C1)C1CC1 ZINC001266168696 1144811175 /nfs/dbraw/zinc/81/11/75/1144811175.db2.gz BBZRHUJOFDPVNL-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCc2ccnn2C)C1 ZINC001279288301 1144820180 /nfs/dbraw/zinc/82/01/80/1144820180.db2.gz PQGPYPFXARDHBD-PUJMQQBBSA-N 0 3 304.438 2.101 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cnn(CC)c1 ZINC001279297101 1144820303 /nfs/dbraw/zinc/82/03/03/1144820303.db2.gz DHKSIMNOCUHMBW-UHFFFAOYSA-N 0 3 324.428 2.158 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC001279681458 1144827056 /nfs/dbraw/zinc/82/70/56/1144827056.db2.gz CGHLGFYUQJSSFM-UHFFFAOYSA-N 0 3 310.401 2.040 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(F)c3ccncc23)CCC1 ZINC001280499715 1144842786 /nfs/dbraw/zinc/84/27/86/1144842786.db2.gz NGTVTCJEDYEDTI-UHFFFAOYSA-N 0 3 311.360 2.249 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2ccc(Cl)c(F)c2)CCC1 ZINC001280508295 1144843092 /nfs/dbraw/zinc/84/30/92/1144843092.db2.gz VLSOSJNTIZJBTK-UHFFFAOYSA-N 0 3 308.784 2.283 20 30 DEEDHN Cc1nc(C)c(CN2CCC[C@H](NC(=O)C#CC(C)C)CC2)o1 ZINC001280734889 1144851721 /nfs/dbraw/zinc/85/17/21/1144851721.db2.gz ZKWKVNOCPIIFFN-INIZCTEOSA-N 0 3 317.433 2.422 20 30 DEEDHN C=CCOCC(=O)N1CCC(CC)(NCc2cc(C)on2)CC1 ZINC001280996042 1144867256 /nfs/dbraw/zinc/86/72/56/1144867256.db2.gz PBUHMZAPSLRPRQ-UHFFFAOYSA-N 0 3 321.421 2.046 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1NCC#Cc1ccccc1 ZINC001281375522 1144885802 /nfs/dbraw/zinc/88/58/02/1144885802.db2.gz XOZREMXWYXXSNM-YJBOKZPZSA-N 0 3 308.381 2.381 20 30 DEEDHN C=CCCC(=O)N1C[C@H](NCc2cc(OC)ns2)[C@@H](C)C1 ZINC001281379198 1144886119 /nfs/dbraw/zinc/88/61/19/1144886119.db2.gz UDFSXCWDIWROBR-AAEUAGOBSA-N 0 3 309.435 2.054 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CN(CC)CC)C1 ZINC001281419256 1144888322 /nfs/dbraw/zinc/88/83/22/1144888322.db2.gz WJWLNTXUZDIOGW-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(CCn2cccn2)CC1(C)C ZINC001281553939 1144896687 /nfs/dbraw/zinc/89/66/87/1144896687.db2.gz VHDBVEJORTUTDM-MRXNPFEDSA-N 0 3 318.465 2.456 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccc(F)cc2)C[C@@H]1C ZINC001281687351 1144908012 /nfs/dbraw/zinc/90/80/12/1144908012.db2.gz XKQSAACYHIFHNO-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ncoc1-c1ccon1 ZINC001281965286 1144924683 /nfs/dbraw/zinc/92/46/83/1144924683.db2.gz QPXSARUZLLZSTE-LBPRGKRZSA-N 0 3 316.361 2.052 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1cc(F)cc(F)c1 ZINC001281967411 1144925445 /nfs/dbraw/zinc/92/54/45/1144925445.db2.gz GXZDPNRRCAWSFG-OAHLLOKOSA-N 0 3 324.371 2.452 20 30 DEEDHN Cc1nocc1CNCC1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001282002119 1144927850 /nfs/dbraw/zinc/92/78/50/1144927850.db2.gz GGZKXAFDJKYQBJ-UHFFFAOYSA-N 0 3 303.406 2.017 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1CC ZINC001282259983 1145025712 /nfs/dbraw/zinc/02/57/12/1145025712.db2.gz YQUZTAUQVPTBKQ-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1ncoc1CNC1CCC(N(C)C(=O)C#CC2CC2)CC1 ZINC001282261533 1145026272 /nfs/dbraw/zinc/02/62/72/1145026272.db2.gz VOGFSUODSLXZDG-UHFFFAOYSA-N 0 3 315.417 2.256 20 30 DEEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)CCOCc1ccccc1 ZINC001282384880 1145054987 /nfs/dbraw/zinc/05/49/87/1145054987.db2.gz RCEQDCJTFCWKMC-INIZCTEOSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)C1CN(CCc2scnc2C)C1 ZINC001282692115 1145128542 /nfs/dbraw/zinc/12/85/42/1145128542.db2.gz AYMWGZKKCFCNQZ-LBPRGKRZSA-N 0 3 307.463 2.397 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2cc3ccccc3o2)C1 ZINC001282726004 1145147926 /nfs/dbraw/zinc/14/79/26/1145147926.db2.gz RWPZNVNOMWWVHM-CQSZACIVSA-N 0 3 310.397 2.435 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)Cc2cccc(C)c2)C1 ZINC001282735846 1145152272 /nfs/dbraw/zinc/15/22/72/1145152272.db2.gz VNGIZDCRISLCKB-INIZCTEOSA-N 0 3 316.445 2.177 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)Cc2cccc(C)c2)C1 ZINC001282735847 1145153380 /nfs/dbraw/zinc/15/33/80/1145153380.db2.gz VNGIZDCRISLCKB-MRXNPFEDSA-N 0 3 316.445 2.177 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001282736753 1145154328 /nfs/dbraw/zinc/15/43/28/1145154328.db2.gz HHIKDPMYWCJJCJ-CQSZACIVSA-N 0 3 314.429 2.272 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)COc2ccccc2F)C1 ZINC001282743872 1145159284 /nfs/dbraw/zinc/15/92/84/1145159284.db2.gz FXCKFURUNWWYNC-ZDUSSCGKSA-N 0 3 306.381 2.217 20 30 DEEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)[C@H]1CCCO1 ZINC001283125434 1145278507 /nfs/dbraw/zinc/27/85/07/1145278507.db2.gz WZSMYQINPIUIHO-WMLDXEAASA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@H]1Cc2n[nH]cc2CN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001364510639 1145306907 /nfs/dbraw/zinc/30/69/07/1145306907.db2.gz SMXQRHHOIXIFJB-ZDUSSCGKSA-N 0 3 323.400 2.304 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccncc1)NCC#Cc1ccccc1 ZINC001283556185 1145518599 /nfs/dbraw/zinc/51/85/99/1145518599.db2.gz UESMMWZWOMAZMR-MRXNPFEDSA-N 0 3 307.397 2.183 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001283966301 1145729144 /nfs/dbraw/zinc/72/91/44/1145729144.db2.gz SKMHUHXKAYNTKU-DZGCQCFKSA-N 0 3 306.381 2.107 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2scnc2C2CC2)C1 ZINC001284015027 1145752467 /nfs/dbraw/zinc/75/24/67/1145752467.db2.gz RBGXWAFSQPEVSI-AAEUAGOBSA-N 0 3 303.431 2.236 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CC[C@@H](CNCc2ncc(C)s2)C1 ZINC001284169512 1145811308 /nfs/dbraw/zinc/81/13/08/1145811308.db2.gz KOVXSJZYBRIZRG-ZIAGYGMSSA-N 0 3 323.462 2.029 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNCc2nccn2C)C1 ZINC001284177492 1145812697 /nfs/dbraw/zinc/81/26/97/1145812697.db2.gz AJKDRLYXFJMPIV-GJZGRUSLSA-N 0 3 318.465 2.397 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)CC1(C)C ZINC001284292779 1145831511 /nfs/dbraw/zinc/83/15/11/1145831511.db2.gz WTGCIQLKCMUDAP-APWZRJJASA-N 0 3 318.461 2.209 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)CCCC(C)C)CC1(C)C ZINC001284322980 1145836672 /nfs/dbraw/zinc/83/66/72/1145836672.db2.gz KGLCLOMJSRFNOI-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001284520817 1145866659 /nfs/dbraw/zinc/86/66/59/1145866659.db2.gz YZJFKPQXJAAHPI-HNNXBMFYSA-N 0 3 316.401 2.292 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cncc(COC)c1)C(C)C ZINC001284537343 1145868946 /nfs/dbraw/zinc/86/89/46/1145868946.db2.gz OEFISEDIGPMVNI-UHFFFAOYSA-N 0 3 305.422 2.196 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)CC2CCCC2)CC1 ZINC001284672877 1145888516 /nfs/dbraw/zinc/88/85/16/1145888516.db2.gz QLRNMMDTHYNMHQ-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001284691597 1145891184 /nfs/dbraw/zinc/89/11/84/1145891184.db2.gz UNQHOMGFWQSEFM-YJBOKZPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001284866244 1145947024 /nfs/dbraw/zinc/94/70/24/1145947024.db2.gz NKNLTKPLVFDZME-HRCADAONSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC001353369558 1151827090 /nfs/dbraw/zinc/82/70/90/1151827090.db2.gz HARVPUPDLDAGJE-QWHCGFSZSA-N 0 3 314.788 2.312 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001285708486 1146299103 /nfs/dbraw/zinc/29/91/03/1146299103.db2.gz UIRBIDRXNHEYGG-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001286102397 1146421822 /nfs/dbraw/zinc/42/18/22/1146421822.db2.gz XKVOEXDXPOKJFZ-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCC(=O)NCC1CC(NCc2ccc(C#N)cc2F)C1 ZINC001365908042 1146902331 /nfs/dbraw/zinc/90/23/31/1146902331.db2.gz LFBYHIIMXUENMS-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)C2CC2)C2CC2)c(F)c1 ZINC001366022093 1147012838 /nfs/dbraw/zinc/01/28/38/1147012838.db2.gz OMKYZIPRZJDRFH-INIZCTEOSA-N 0 3 301.365 2.092 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2nc(CC)oc2C)C1 ZINC001491955010 1147017689 /nfs/dbraw/zinc/01/76/89/1147017689.db2.gz PCPAUYZHACTVCS-AWEZNQCLSA-N 0 3 303.406 2.105 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001491958422 1147019491 /nfs/dbraw/zinc/01/94/91/1147019491.db2.gz DCFYWTFVHSVJSP-AWEZNQCLSA-N 0 3 301.862 2.004 20 30 DEEDHN C[C@H](CCNC(=O)c1cc[nH]c1)NCc1cc(C#N)ccc1F ZINC001492027778 1147067058 /nfs/dbraw/zinc/06/70/58/1147067058.db2.gz IXQPEHOICRGAQF-GFCCVEGCSA-N 0 3 314.364 2.324 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001366138149 1147073850 /nfs/dbraw/zinc/07/38/50/1147073850.db2.gz DHTKEOKKFFEHFY-HONMWMINSA-N 0 3 321.421 2.186 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001492315696 1147210826 /nfs/dbraw/zinc/21/08/26/1147210826.db2.gz DVFNQZLOWLYIPN-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN CCCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC001366369776 1147239167 /nfs/dbraw/zinc/23/91/67/1147239167.db2.gz NFAUNPMMIRULPI-INIZCTEOSA-N 0 3 315.417 2.448 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2nc(Cl)cs2)C1 ZINC001480733939 1147243145 /nfs/dbraw/zinc/24/31/45/1147243145.db2.gz WGBNIHGBDORLDQ-NSHDSACASA-N 0 3 311.838 2.356 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1csc(C(=O)OCC)n1 ZINC001307727978 1147434129 /nfs/dbraw/zinc/43/41/29/1147434129.db2.gz GPWFWBZPXZCSRC-UHFFFAOYSA-N 0 3 311.451 2.260 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCCC[C@H](NCC(=O)NCC)C1 ZINC001316771739 1147577473 /nfs/dbraw/zinc/57/74/73/1147577473.db2.gz IFLQOXCEMWMZLN-YJBOKZPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC001317056395 1147582236 /nfs/dbraw/zinc/58/22/36/1147582236.db2.gz WFYZQYSFIVWQMZ-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1ccc2cccnc2c1 ZINC001316830550 1147610206 /nfs/dbraw/zinc/61/02/06/1147610206.db2.gz LHJVWOLYHXKVII-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001367045610 1147639115 /nfs/dbraw/zinc/63/91/15/1147639115.db2.gz DXQPLMIPPMEALA-YOEHRIQHSA-N 0 3 322.412 2.427 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)c2cc(C)cs2)CC1 ZINC001316957836 1147639390 /nfs/dbraw/zinc/63/93/90/1147639390.db2.gz IADKIJBKSFNYCA-UHFFFAOYSA-N 0 3 321.490 2.370 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001316987785 1147644411 /nfs/dbraw/zinc/64/44/11/1147644411.db2.gz VMKAVGLVWYQDDL-ZIAGYGMSSA-N 0 3 316.392 2.205 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1cc(Cl)ccc1OC ZINC001367094709 1147648975 /nfs/dbraw/zinc/64/89/75/1147648975.db2.gz SUUKKYNHLZHHDP-RISCZKNCSA-N 0 3 323.824 2.493 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](N[C@H](C)c1n[nH]c(CC)n1)C1CC1 ZINC001317026098 1147649764 /nfs/dbraw/zinc/64/97/64/1147649764.db2.gz LDPGMKVENLXYRY-DGCLKSJQSA-N 0 3 319.453 2.125 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccn1 ZINC001317042249 1147652011 /nfs/dbraw/zinc/65/20/11/1147652011.db2.gz HLAALXVEALLIHX-KFWWJZLASA-N 0 3 300.406 2.120 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cnc(C)cn2)C1 ZINC001317074586 1147656618 /nfs/dbraw/zinc/65/66/18/1147656618.db2.gz HNPDGCNDUDLPLU-JYJNAYRXSA-N 0 3 314.433 2.276 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2c(C)noc2CC)C1 ZINC001317087250 1147657981 /nfs/dbraw/zinc/65/79/81/1147657981.db2.gz QJPKQCKDJWOPTE-SHTZXODSSA-N 0 3 317.433 2.476 20 30 DEEDHN Cc1cc(CNCC2(NC(=O)[C@H](C)C#N)CCCC2)sn1 ZINC001367161968 1147658678 /nfs/dbraw/zinc/65/86/78/1147658678.db2.gz STLOJKQKEHPNGZ-LLVKDONJSA-N 0 3 306.435 2.130 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC#Cc2ccccc2)C1 ZINC001317100024 1147659452 /nfs/dbraw/zinc/65/94/52/1147659452.db2.gz MFTHFMLYIPGJBG-VQTJNVASSA-N 0 3 320.436 2.374 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cccc2)C1 ZINC001317099716 1147659472 /nfs/dbraw/zinc/65/94/72/1147659472.db2.gz IVQUNIYWEJOYAZ-MSOLQXFVSA-N 0 3 313.445 2.214 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2c(C)onc2CC)C1 ZINC001317107580 1147660461 /nfs/dbraw/zinc/66/04/61/1147660461.db2.gz BZZNFQMZSIVYSZ-GASCZTMLSA-N 0 3 317.433 2.476 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCC(=C)Br)C1 ZINC001317112815 1147661290 /nfs/dbraw/zinc/66/12/90/1147661290.db2.gz SSVRXIUSDOAISH-TXEJJXNPSA-N 0 3 301.228 2.488 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1cc[nH]c1 ZINC001367257432 1147670391 /nfs/dbraw/zinc/67/03/91/1147670391.db2.gz UDZBFRZYHXGCIJ-LBPRGKRZSA-N 0 3 314.364 2.181 20 30 DEEDHN CC#CCCCC(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001317196917 1147674723 /nfs/dbraw/zinc/67/47/23/1147674723.db2.gz ZHDGHASGUDOLLW-MRXNPFEDSA-N 0 3 316.449 2.084 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCOCC ZINC001317199999 1147675234 /nfs/dbraw/zinc/67/52/34/1147675234.db2.gz WTZNIYLDAXNABB-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001317239693 1147681477 /nfs/dbraw/zinc/68/14/77/1147681477.db2.gz DENRJYMXRHFKSO-STQMWFEESA-N 0 3 324.371 2.160 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)NCC(=O)NC1CCC(C)CC1 ZINC001317245831 1147682127 /nfs/dbraw/zinc/68/21/27/1147682127.db2.gz RKGNMYQPLMTPJH-HWOWSKLDSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1c(C)occ1C(F)(F)F ZINC001317254541 1147683250 /nfs/dbraw/zinc/68/32/50/1147683250.db2.gz UGDFEEJLCJFCEY-VIFPVBQESA-N 0 3 302.296 2.338 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1cccc(NC(C)=O)c1 ZINC001317259719 1147683347 /nfs/dbraw/zinc/68/33/47/1147683347.db2.gz YRDKTYAICQCZHE-ZDUSSCGKSA-N 0 3 317.433 2.452 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC1CCCC1 ZINC001317258591 1147683434 /nfs/dbraw/zinc/68/34/34/1147683434.db2.gz SZMBSSVNSLAOMB-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC001317304788 1147688419 /nfs/dbraw/zinc/68/84/19/1147688419.db2.gz KPEOHOHADHVHGB-KRWDZBQOSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001317536179 1147721864 /nfs/dbraw/zinc/72/18/64/1147721864.db2.gz KBJDDJUJWJKOHW-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CCc1ccco1 ZINC001317566468 1147726446 /nfs/dbraw/zinc/72/64/46/1147726446.db2.gz MUUYHGQVALOEMO-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001317627804 1147735101 /nfs/dbraw/zinc/73/51/01/1147735101.db2.gz CJNUZTRGHQQUAZ-CHWSQXEVSA-N 0 3 306.356 2.140 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC[C@H](C)O)C1 ZINC001317739805 1147748566 /nfs/dbraw/zinc/74/85/66/1147748566.db2.gz AXBFYVLVPVCVEY-HRCADAONSA-N 0 3 306.450 2.179 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H](C)c2ccco2)CC1 ZINC001317823527 1147755618 /nfs/dbraw/zinc/75/56/18/1147755618.db2.gz XVYSPULVEFTJAH-INIZCTEOSA-N 0 3 319.449 2.035 20 30 DEEDHN N#CCSCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001318187083 1147793096 /nfs/dbraw/zinc/79/30/96/1147793096.db2.gz IELPXVLHXIRLOV-GJZGRUSLSA-N 0 3 307.463 2.109 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC ZINC001318196738 1147795011 /nfs/dbraw/zinc/79/50/11/1147795011.db2.gz YOJIHTGOELSKRB-KKUMJFAQSA-N 0 3 302.422 2.156 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)n(C)n1 ZINC001318232642 1147802033 /nfs/dbraw/zinc/80/20/33/1147802033.db2.gz JNWCYRKGYNNQRP-BPUTZDHNSA-N 0 3 316.449 2.236 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001367995687 1147822276 /nfs/dbraw/zinc/82/22/76/1147822276.db2.gz CQKUSAGJFZDJAF-CQSZACIVSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001324641793 1147824272 /nfs/dbraw/zinc/82/42/72/1147824272.db2.gz OSRJPHVTMZLHQZ-INIZCTEOSA-N 0 3 318.446 2.013 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2nc(C)n3ccccc23)CC1 ZINC001324876478 1147855017 /nfs/dbraw/zinc/85/50/17/1147855017.db2.gz MPXZKZFXBKRQLJ-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC001325221485 1147885653 /nfs/dbraw/zinc/88/56/53/1147885653.db2.gz DCMQWBUQVJOWPA-ZBFHGGJFSA-N 0 3 323.458 2.425 20 30 DEEDHN C=CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001325380876 1147897722 /nfs/dbraw/zinc/89/77/22/1147897722.db2.gz QCKNJDQNMVMIQF-CABCVRRESA-N 0 3 318.417 2.035 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@H](OC)C(F)(F)F)[C@@H]2C1 ZINC001325954322 1148023775 /nfs/dbraw/zinc/02/37/75/1148023775.db2.gz AXVPNQMHWRFZQD-XQQFMLRXSA-N 0 3 320.355 2.063 20 30 DEEDHN Cc1nc(CNCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)sc1C ZINC001326223179 1148060168 /nfs/dbraw/zinc/06/01/68/1148060168.db2.gz FZGGJVJEQKBZEU-RISCZKNCSA-N 0 3 320.462 2.248 20 30 DEEDHN Cc1nc(CNCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001326224560 1148060621 /nfs/dbraw/zinc/06/06/21/1148060621.db2.gz OCCSBYGDYNJONE-BXUZGUMPSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC001326381083 1148089165 /nfs/dbraw/zinc/08/91/65/1148089165.db2.gz BIMIZOCFJQOEJZ-MRXNPFEDSA-N 0 3 302.443 2.083 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CN[C@@H](C)c2nncn2C)CC1 ZINC001326499563 1148117863 /nfs/dbraw/zinc/11/78/63/1148117863.db2.gz KIBNQCVAUFQGFQ-KKUMJFAQSA-N 0 3 319.453 2.107 20 30 DEEDHN Cc1cc(CNC[C@@H](NC(=O)[C@@H](C)C#N)C2CCCC2)sn1 ZINC001368139589 1148267437 /nfs/dbraw/zinc/26/74/37/1148267437.db2.gz WHVJKCQFQPCCLA-XHDPSFHLSA-N 0 3 320.462 2.376 20 30 DEEDHN C=CCC1(C(=O)NCC2(NCC#CCOC)CCC2)CCC1 ZINC001326877141 1148277714 /nfs/dbraw/zinc/27/77/14/1148277714.db2.gz GUTJXDIRLGVCDG-UHFFFAOYSA-N 0 3 304.434 2.011 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2cccc(OCCC)c2)CCC1 ZINC001326911673 1148288131 /nfs/dbraw/zinc/28/81/31/1148288131.db2.gz UUNKOYBWJSQVRH-UHFFFAOYSA-N 0 3 314.429 2.280 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)CCC1 ZINC001326910523 1148288468 /nfs/dbraw/zinc/28/84/68/1148288468.db2.gz HLVVFXKGWBLYHS-YLJYHZDGSA-N 0 3 308.425 2.152 20 30 DEEDHN CC#CCNC1(CNC(=O)CN(CC)c2ccccc2)CCC1 ZINC001326928129 1148292589 /nfs/dbraw/zinc/29/25/89/1148292589.db2.gz KDAGZMHMEIQTLJ-UHFFFAOYSA-N 0 3 313.445 2.165 20 30 DEEDHN CC[C@H](F)CN1CCC(C)(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001368200830 1148320361 /nfs/dbraw/zinc/32/03/61/1148320361.db2.gz ZOADJHHTYKMMSU-ZDUSSCGKSA-N 0 3 320.412 2.466 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1CCCN1c1ccccc1 ZINC001327213278 1148348576 /nfs/dbraw/zinc/34/85/76/1148348576.db2.gz PSTUUYAZOBNHLU-GOSISDBHSA-N 0 3 313.445 2.069 20 30 DEEDHN COC(C)(C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000278430552 214148256 /nfs/dbraw/zinc/14/82/56/214148256.db2.gz YYURXJISBXVSBK-UHFFFAOYSA-N 0 3 317.433 2.264 20 30 DEEDHN C[C@@]1(C#N)CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000612372157 361807850 /nfs/dbraw/zinc/80/78/50/361807850.db2.gz SXLDVUVXJLOPMO-KRWDZBQOSA-N 0 3 319.449 2.174 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](C)C1)C(C)C ZINC000079440193 185171826 /nfs/dbraw/zinc/17/18/26/185171826.db2.gz YKDMOPUSECRLHL-JKSUJKDBSA-N 0 3 309.454 2.115 20 30 DEEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(C)C)CC1 ZINC000083132173 185213483 /nfs/dbraw/zinc/21/34/83/185213483.db2.gz XRFRLEPVLWWKDZ-QGZVFWFLSA-N 0 3 315.417 2.046 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428539453 529491543 /nfs/dbraw/zinc/49/15/43/529491543.db2.gz PXDHAVMHDMZDBQ-WBVHZDCISA-N 0 3 301.390 2.132 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2COc3cc(F)ccc3C2)CC1 ZINC000625323221 365728130 /nfs/dbraw/zinc/72/81/30/365728130.db2.gz ULVJFWXRNNNTIY-CQSZACIVSA-N 0 3 318.392 2.143 20 30 DEEDHN C#CCOc1ccc(CN2CCC(N(C)C(C)=O)CC2)cc1 ZINC000092538572 185324995 /nfs/dbraw/zinc/32/49/95/185324995.db2.gz KAKYLACYCVYZTG-UHFFFAOYSA-N 0 3 300.402 2.141 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@H](C)N2CCCCCC2)n1 ZINC000279215164 214711103 /nfs/dbraw/zinc/71/11/03/214711103.db2.gz XDIAQEZMGFBUKL-INIZCTEOSA-N 0 3 316.449 2.129 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(C#N)s2)C1 ZINC000422219197 529808146 /nfs/dbraw/zinc/80/81/46/529808146.db2.gz NWHAQMFRCVTHNL-WFASDCNBSA-N 0 3 318.446 2.245 20 30 DEEDHN CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000614205708 362314762 /nfs/dbraw/zinc/31/47/62/362314762.db2.gz AAGSXNZHWSDIEJ-YOEHRIQHSA-N 0 3 303.381 2.434 20 30 DEEDHN CN1CCN(CCC(C)(C)Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000302230271 530072097 /nfs/dbraw/zinc/07/20/97/530072097.db2.gz BVACZOZNWWSXNL-UHFFFAOYSA-N 0 3 321.856 2.435 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@@H](c1ccc(CC)cc1)N(CC)CC ZINC000615238750 362563867 /nfs/dbraw/zinc/56/38/67/362563867.db2.gz ZBZGRBUUUMJIJF-DLBZAZTESA-N 0 3 304.434 2.295 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ccc1F ZINC000286930459 219230026 /nfs/dbraw/zinc/23/00/26/219230026.db2.gz DGMMPKVTFMHJIV-OAHLLOKOSA-N 0 3 301.365 2.444 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCc1cccc(C#N)c1 ZINC000595455658 358453541 /nfs/dbraw/zinc/45/35/41/358453541.db2.gz BTRMTQQICUHDPK-HNNXBMFYSA-N 0 3 314.433 2.478 20 30 DEEDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(OCC#N)cc1 ZINC000171503357 186169764 /nfs/dbraw/zinc/16/97/64/186169764.db2.gz FJIMWCUSAHCRTP-INIZCTEOSA-N 0 3 301.390 2.080 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(CCOC)C1)c1ccccc1 ZINC000270457717 186395646 /nfs/dbraw/zinc/39/56/46/186395646.db2.gz WEPFJIPYIZIRKX-NVXWUHKLSA-N 0 3 302.418 2.183 20 30 DEEDHN C[C@@H]1CSCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000617079298 363017244 /nfs/dbraw/zinc/01/72/44/363017244.db2.gz XOVDFVAGUGALFT-GOEBONIOSA-N 0 3 320.458 2.177 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)Cc2ccc(CN(C)C)cc2)C1=O ZINC000626063073 366032145 /nfs/dbraw/zinc/03/21/45/366032145.db2.gz QFOYBANNJLWMGZ-GOSISDBHSA-N 0 3 315.461 2.357 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(C)nc2C(C)C)CC1 ZINC000172139915 198045962 /nfs/dbraw/zinc/04/59/62/198045962.db2.gz ZPANCVMPYGKXKQ-UHFFFAOYSA-N 0 3 302.422 2.289 20 30 DEEDHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000328884144 539911852 /nfs/dbraw/zinc/91/18/52/539911852.db2.gz YJZSNZZLHBZQSY-FMKPAKJESA-N 0 3 309.454 2.322 20 30 DEEDHN Cc1nnc2n1C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)CC2 ZINC000329950386 539932156 /nfs/dbraw/zinc/93/21/56/539932156.db2.gz LWBUCZLDJNLELQ-ZFWWWQNUSA-N 0 3 319.453 2.370 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000173271470 198204892 /nfs/dbraw/zinc/20/48/92/198204892.db2.gz SAADNLHNPLVRRM-UHFFFAOYSA-N 0 3 321.808 2.045 20 30 DEEDHN COc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1C#N ZINC000174310224 198317772 /nfs/dbraw/zinc/31/77/72/198317772.db2.gz UKXFAIHBMZSHQO-MRXNPFEDSA-N 0 3 321.380 2.462 20 30 DEEDHN N#Cc1ccc(CNCCCCN2C(=O)c3ccccc3C2=O)o1 ZINC000174377645 198327333 /nfs/dbraw/zinc/32/73/33/198327333.db2.gz SFJLQENBCQIGBQ-UHFFFAOYSA-N 0 3 323.352 2.317 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCC(C)CC1 ZINC000595548755 358479882 /nfs/dbraw/zinc/47/98/82/358479882.db2.gz ZJJITVVJMGSTHS-HOTGVXAUSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1ccc(CN2CCC(CN3CCOCC3)CC2)c(F)c1 ZINC000051957993 354391691 /nfs/dbraw/zinc/39/16/91/354391691.db2.gz QRRHJVQPHMUMPG-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN Cc1nn(C)c2ncc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc12 ZINC000049405654 354361091 /nfs/dbraw/zinc/36/10/91/354361091.db2.gz BFHOEGDYFGJHHH-CQSZACIVSA-N 0 3 320.356 2.174 20 30 DEEDHN CC(C)CN1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000054428021 354462056 /nfs/dbraw/zinc/46/20/56/354462056.db2.gz GHZDEHVZKMJXPB-UHFFFAOYSA-N 0 3 314.433 2.160 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccccn1 ZINC000054452470 354463038 /nfs/dbraw/zinc/46/30/38/354463038.db2.gz IHQQSPZMKHEUIW-ZDUSSCGKSA-N 0 3 308.341 2.136 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000067127612 354748787 /nfs/dbraw/zinc/74/87/87/354748787.db2.gz ISOQSXODUYIVJO-UHFFFAOYSA-N 0 3 314.385 2.065 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000067332289 354757502 /nfs/dbraw/zinc/75/75/02/354757502.db2.gz GIHPELCRXJRYPF-IAGOWNOFSA-N 0 3 300.377 2.143 20 30 DEEDHN CCCN(CC(=O)N(CC)CCC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321824 355199099 /nfs/dbraw/zinc/19/90/99/355199099.db2.gz XUPGTPBZXMXOMQ-UAGQMJEPSA-N 0 3 321.465 2.274 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595596573 358496345 /nfs/dbraw/zinc/49/63/45/358496345.db2.gz OYHGYSHOMHWXAT-GJZGRUSLSA-N 0 3 306.454 2.442 20 30 DEEDHN Cc1cc(C)c(C#N)c(NC2CCN([C@H]3CCOC3)CC2)n1 ZINC000089603164 355538420 /nfs/dbraw/zinc/53/84/20/355538420.db2.gz YMYBXOHPUBBSNQ-HNNXBMFYSA-N 0 3 300.406 2.235 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)c(F)c1 ZINC000088715761 355518183 /nfs/dbraw/zinc/51/81/83/355518183.db2.gz QJNRLISBAOZSMG-GFCCVEGCSA-N 0 3 301.287 2.424 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N1CCCN(CC)CC1 ZINC000091179407 355585550 /nfs/dbraw/zinc/58/55/50/355585550.db2.gz AXZWQLFZZMCTEU-UHFFFAOYSA-N 0 3 319.380 2.397 20 30 DEEDHN N#CCCn1cc(CN2CC[C@@H](CO)C2)c(-c2ccccc2)n1 ZINC000092763272 355650407 /nfs/dbraw/zinc/65/04/07/355650407.db2.gz FBYYSDIRXOTQIF-OAHLLOKOSA-N 0 3 310.401 2.278 20 30 DEEDHN C#CCOc1ccccc1CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000093870388 355688074 /nfs/dbraw/zinc/68/80/74/355688074.db2.gz HMEXSZDKZHAMQW-INIZCTEOSA-N 0 3 309.413 2.497 20 30 DEEDHN C=CCC[C@H](NCC(=O)NC(=O)NCC=C)c1ccccc1 ZINC000180045002 356041211 /nfs/dbraw/zinc/04/12/11/356041211.db2.gz KSFMIGPSAIWSMY-HNNXBMFYSA-N 0 3 301.390 2.295 20 30 DEEDHN C[C@H](C#N)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000182658099 356136884 /nfs/dbraw/zinc/13/68/84/356136884.db2.gz SEDDVRZHCBTTRN-CQSZACIVSA-N 0 3 324.494 2.197 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000182663847 356137743 /nfs/dbraw/zinc/13/77/43/356137743.db2.gz HHNSYNSWASCYIV-ZBFHGGJFSA-N 0 3 300.406 2.110 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)NC[C@H](C)C#N)c2)CC1 ZINC000184916046 356199677 /nfs/dbraw/zinc/19/96/77/356199677.db2.gz WDEWWPKJEOMFTB-CQSZACIVSA-N 0 3 315.421 2.110 20 30 DEEDHN C=CCOc1ccc(CNCCN2CCOCC2)cc1Cl ZINC000237695236 356299564 /nfs/dbraw/zinc/29/95/64/356299564.db2.gz DYMOHGCZSLDNCB-UHFFFAOYSA-N 0 3 310.825 2.327 20 30 DEEDHN N#CCCn1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2ccncc2)n1 ZINC000278703858 356360247 /nfs/dbraw/zinc/36/02/47/356360247.db2.gz RBJXOGREDLBRJW-ZACQAIPSSA-N 0 3 323.400 2.268 20 30 DEEDHN CCC(C)(C)OCCNC[C@@H](O)COc1ccccc1C#N ZINC000308688380 356410463 /nfs/dbraw/zinc/41/04/63/356410463.db2.gz CXZLYUUUKQGZHZ-OAHLLOKOSA-N 0 3 306.406 2.093 20 30 DEEDHN COC(=O)CCN(Cc1ccc(C#N)cc1C)C[C@@H]1CCCO1 ZINC000323493975 356456348 /nfs/dbraw/zinc/45/63/48/356456348.db2.gz CEJBPHFTBDMPCT-KRWDZBQOSA-N 0 3 316.401 2.411 20 30 DEEDHN Cc1nc(C)c(CNC[C@H](O)COc2ccccc2C#N)s1 ZINC000320199515 356444263 /nfs/dbraw/zinc/44/42/63/356444263.db2.gz STZVZYMNUQKEDT-AWEZNQCLSA-N 0 3 317.414 2.161 20 30 DEEDHN N#Cc1cccc(NC(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000579351403 356961551 /nfs/dbraw/zinc/96/15/51/356961551.db2.gz MHTYXCVWNLLNIQ-UHFFFAOYSA-N 0 3 313.405 2.435 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000579800281 357031667 /nfs/dbraw/zinc/03/16/67/357031667.db2.gz DQOGBGFGGXKHBE-OAHLLOKOSA-N 0 3 321.465 2.285 20 30 DEEDHN CS[C@@H]1CN(C(=O)CCCCCC#N)C[C@@H]1N1CCCC1 ZINC000588678011 357417672 /nfs/dbraw/zinc/41/76/72/357417672.db2.gz QVKHJPCRTHNKLW-LSDHHAIUSA-N 0 3 309.479 2.499 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@](F)(C#N)C1)[C@H](c1ccccc1)N(C)C ZINC000588721168 357419815 /nfs/dbraw/zinc/41/98/15/357419815.db2.gz RSOBUFARNFTJPU-LXZKKBNFSA-N 0 3 318.396 2.325 20 30 DEEDHN CC[C@H]1CN(C)CCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000588821936 357425797 /nfs/dbraw/zinc/42/57/97/357425797.db2.gz RVHUCEGPVVTUBI-HOCLYGCPSA-N 0 3 315.417 2.268 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)C2)C1 ZINC000589926345 357505745 /nfs/dbraw/zinc/50/57/45/357505745.db2.gz UYSVSMRRVYXENE-HKUYNNGSSA-N 0 3 324.428 2.283 20 30 DEEDHN COC(=O)c1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1C ZINC000589176652 357450590 /nfs/dbraw/zinc/45/05/90/357450590.db2.gz UKVIHHKOERODEB-MRXNPFEDSA-N 0 3 309.369 2.460 20 30 DEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cccc(C#N)n1 ZINC000589360114 357466451 /nfs/dbraw/zinc/46/64/51/357466451.db2.gz PLEWYCHKRCWTIG-OAHLLOKOSA-N 0 3 300.406 2.338 20 30 DEEDHN N#Cc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521385 357477852 /nfs/dbraw/zinc/47/78/52/357477852.db2.gz XEDOVFGFNCCOFE-IAGOWNOFSA-N 0 3 318.392 2.497 20 30 DEEDHN CN(C)C[C@@H](NC(=O)c1cccc(C#N)n1)c1ccc(F)cc1 ZINC000589528375 357478097 /nfs/dbraw/zinc/47/80/97/357478097.db2.gz UPKRNVGXEICCKH-MRXNPFEDSA-N 0 3 312.348 2.125 20 30 DEEDHN CC(C)CN(C(=O)c1cccc(C#N)n1)C1CCN(C)CC1 ZINC000589614008 357483361 /nfs/dbraw/zinc/48/33/61/357483361.db2.gz OCHYTPJOZRJYGQ-UHFFFAOYSA-N 0 3 300.406 2.146 20 30 DEEDHN COc1ccc(C2(NCCOCCC#N)CCOCC2)cc1 ZINC000590166165 357523918 /nfs/dbraw/zinc/52/39/18/357523918.db2.gz SKKIITWYYPUHBT-UHFFFAOYSA-N 0 3 304.390 2.221 20 30 DEEDHN CO[C@@H](CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000591373541 357716340 /nfs/dbraw/zinc/71/63/40/357716340.db2.gz VSSYMLMUBZHZGB-SJORKVTESA-N 0 3 313.401 2.068 20 30 DEEDHN C=C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000179371748 199023173 /nfs/dbraw/zinc/02/31/73/199023173.db2.gz ODPKNLAAEAYZPD-FUHWJXTLSA-N 0 3 316.445 2.309 20 30 DEEDHN CC[C@H](F)CNC[C@@H](CC(C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC001422009317 1172228395 /nfs/dbraw/zinc/22/83/95/1172228395.db2.gz YJIMJAZTOJLFBX-GXTWGEPZSA-N 0 3 308.401 2.369 20 30 DEEDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593027661 357990945 /nfs/dbraw/zinc/99/09/45/357990945.db2.gz VDQWUXAEWGZRNI-SWLSCSKDSA-N 0 3 303.362 2.449 20 30 DEEDHN C=CCOc1ccc(CN2CCC(C(=O)NC)CC2)cc1OC ZINC000179824199 199085117 /nfs/dbraw/zinc/08/51/17/199085117.db2.gz WQWWWXNYKRKMFC-UHFFFAOYSA-N 0 3 318.417 2.218 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000179807505 199083783 /nfs/dbraw/zinc/08/37/83/199083783.db2.gz LJPPNOGKAZFSFH-UHFFFAOYSA-N 0 3 304.438 2.228 20 30 DEEDHN CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1cccc(OC)c1 ZINC000593411420 358072442 /nfs/dbraw/zinc/07/24/42/358072442.db2.gz INYUKLCKLAWISU-SWLSCSKDSA-N 0 3 318.373 2.355 20 30 DEEDHN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C(C#N)CC ZINC000593456285 358082794 /nfs/dbraw/zinc/08/27/94/358082794.db2.gz IATNMDZPHFXQEF-CABCVRRESA-N 0 3 302.374 2.169 20 30 DEEDHN CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1ccc(OC)c(F)c1 ZINC000593617449 358112127 /nfs/dbraw/zinc/11/21/27/358112127.db2.gz MAWDTAHQVACOJF-IINYFYTJSA-N 0 3 322.336 2.104 20 30 DEEDHN CCC(C#N)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000593688559 358123569 /nfs/dbraw/zinc/12/35/69/358123569.db2.gz FVLDUAORWZDRLM-NWANDNLSSA-N 0 3 302.374 2.073 20 30 DEEDHN Cc1c[nH]nc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693362 358124427 /nfs/dbraw/zinc/12/44/27/358124427.db2.gz VYOTTYHCXXSFGC-UHFFFAOYSA-N 0 3 309.417 2.344 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)Cc1c(F)cccc1C#N ZINC000593882290 358164427 /nfs/dbraw/zinc/16/44/27/358164427.db2.gz GIOCYZWVPRXZAD-UHFFFAOYSA-N 0 3 303.381 2.184 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccc(=O)[nH]c1 ZINC000594358200 358248523 /nfs/dbraw/zinc/24/85/23/358248523.db2.gz RDBSDTLPOCGLQV-INIZCTEOSA-N 0 3 309.369 2.218 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594196636 358221814 /nfs/dbraw/zinc/22/18/14/358221814.db2.gz LGZBDDJSYCFREQ-IRXDYDNUSA-N 0 3 315.392 2.373 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000594425579 358266190 /nfs/dbraw/zinc/26/61/90/358266190.db2.gz LCOIKXOAIRNPIP-CYBMUJFWSA-N 0 3 311.332 2.315 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000594440343 358271521 /nfs/dbraw/zinc/27/15/21/358271521.db2.gz XYVXKHYOYKFDBV-LSDHHAIUSA-N 0 3 301.390 2.428 20 30 DEEDHN N#Cc1nccc(N[C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000594552115 358292405 /nfs/dbraw/zinc/29/24/05/358292405.db2.gz YXPRYCXOXGQDGQ-INIZCTEOSA-N 0 3 307.401 2.409 20 30 DEEDHN Cn1ncc(Br)c1CNCCc1ccc(C#N)cc1 ZINC000594954978 358368595 /nfs/dbraw/zinc/36/85/95/358368595.db2.gz JBHAKOMLTCKKNO-UHFFFAOYSA-N 0 3 319.206 2.387 20 30 DEEDHN COc1ccc(N2C[C@@H](NCc3cccc(C#N)c3)CC2=O)cc1 ZINC000594965870 358370979 /nfs/dbraw/zinc/37/09/79/358370979.db2.gz NDEANJIPSZEYLR-INIZCTEOSA-N 0 3 321.380 2.462 20 30 DEEDHN C=CCN(CCC#N)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595245129 358404625 /nfs/dbraw/zinc/40/46/25/358404625.db2.gz GHZGCVWSCLGCKZ-INIZCTEOSA-N 0 3 314.389 2.281 20 30 DEEDHN COc1cccc(C2(NC(=O)[C@@H](N)CCCC#N)CCC2)c1 ZINC000595259189 358407716 /nfs/dbraw/zinc/40/77/16/358407716.db2.gz INTHKSWQKSKZDA-HNNXBMFYSA-N 0 3 301.390 2.212 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000595340415 358426183 /nfs/dbraw/zinc/42/61/83/358426183.db2.gz SWEQAEACFOKFPF-MOPGFXCFSA-N 0 3 312.461 2.352 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000618816241 363611135 /nfs/dbraw/zinc/61/11/35/363611135.db2.gz KMSZYGTWHNLNKM-WMZOPIPTSA-N 0 3 324.428 2.329 20 30 DEEDHN C[C@@H]1CN([C@H](C#N)c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000595411937 358442442 /nfs/dbraw/zinc/44/24/42/358442442.db2.gz PVDOCOKEERLTPT-NZSAHSFTSA-N 0 3 312.461 2.209 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618815436 363611492 /nfs/dbraw/zinc/61/14/92/363611492.db2.gz BCGAPBUUBQHJNX-DOTOQJQBSA-N 0 3 312.417 2.329 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000595807588 358553292 /nfs/dbraw/zinc/55/32/92/358553292.db2.gz QXKHRVAFYBOLBX-INIZCTEOSA-N 0 3 300.406 2.184 20 30 DEEDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)cc(C#N)c1[N+](=O)[O-] ZINC000596189824 358634763 /nfs/dbraw/zinc/63/47/63/358634763.db2.gz SMEGZQHFMAECRF-SWLSCSKDSA-N 0 3 300.362 2.305 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c[nH]1 ZINC000181193554 199263185 /nfs/dbraw/zinc/26/31/85/199263185.db2.gz QIAQFVIXBJIADU-QGZVFWFLSA-N 0 3 308.385 2.453 20 30 DEEDHN CCCN1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000598342430 359169425 /nfs/dbraw/zinc/16/94/25/359169425.db2.gz NEPHKZJHHWQDDT-HNNXBMFYSA-N 0 3 315.417 2.316 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000598510292 359225175 /nfs/dbraw/zinc/22/51/75/359225175.db2.gz OWQUSZIUVHJBTF-CZUORRHYSA-N 0 3 302.374 2.158 20 30 DEEDHN CN(C)C(=O)C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598602252 359258294 /nfs/dbraw/zinc/25/82/94/359258294.db2.gz MPBUYEOCBDRQTQ-HZPDHXFCSA-N 0 3 317.433 2.096 20 30 DEEDHN CO[C@]1(C(F)(F)F)CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598606607 359259385 /nfs/dbraw/zinc/25/93/85/359259385.db2.gz IEZKXGAUUJPMHA-DGCLKSJQSA-N 0 3 308.344 2.330 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCN1 ZINC000598574783 359246833 /nfs/dbraw/zinc/24/68/33/359246833.db2.gz UCFDWTXFDAZWFQ-INIZCTEOSA-N 0 3 317.458 2.248 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000598599261 359256670 /nfs/dbraw/zinc/25/66/70/359256670.db2.gz IMYDLRXPJMXCBO-OAHLLOKOSA-N 0 3 323.481 2.352 20 30 DEEDHN COc1cc(OC)c(OC)cc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598704439 359299303 /nfs/dbraw/zinc/29/93/03/359299303.db2.gz PHRHHIQOYYMRQQ-ZDUSSCGKSA-N 0 3 322.405 2.103 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(N2CCCC2)nc1 ZINC000598714951 359303005 /nfs/dbraw/zinc/30/30/05/359303005.db2.gz LDCTXVUTBLESEJ-OAHLLOKOSA-N 0 3 302.422 2.072 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1c(F)cccc1-n1cccn1 ZINC000598727498 359307466 /nfs/dbraw/zinc/30/74/66/359307466.db2.gz IXMXUXYBJAXNGE-CYBMUJFWSA-N 0 3 316.380 2.402 20 30 DEEDHN COc1cc(CNC[C@H]2CCCN2CC(F)F)ccc1C#N ZINC000598986482 359375744 /nfs/dbraw/zinc/37/57/44/359375744.db2.gz AZDXZXUDAUVGSK-CQSZACIVSA-N 0 3 309.360 2.386 20 30 DEEDHN CN(CCN(C)C1CC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000186791785 200011348 /nfs/dbraw/zinc/01/13/48/200011348.db2.gz OUWBYZROHXAOLX-UHFFFAOYSA-N 0 3 320.824 2.176 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000667877420 540544112 /nfs/dbraw/zinc/54/41/12/540544112.db2.gz NCORTVKMYREFIM-LJQANCHMSA-N 0 3 316.445 2.091 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(CCCc3ccncc3)C2)nc1 ZINC000428800555 237252212 /nfs/dbraw/zinc/25/22/12/237252212.db2.gz GTCJEUKELYPWMN-QGZVFWFLSA-N 0 3 308.385 2.434 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000668544096 540683913 /nfs/dbraw/zinc/68/39/13/540683913.db2.gz ZYZAJQWZJXDFQC-DOTOQJQBSA-N 0 3 300.402 2.352 20 30 DEEDHN CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)CCCN(C)C ZINC000601322781 360007640 /nfs/dbraw/zinc/00/76/40/360007640.db2.gz IGGYKQYJUGWFLU-UHFFFAOYSA-N 0 3 323.462 2.302 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nc(C(F)F)no1 ZINC000601644161 360097133 /nfs/dbraw/zinc/09/71/33/360097133.db2.gz HOKKLODKROMEOG-LLVKDONJSA-N 0 3 320.299 2.396 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000601889427 360184058 /nfs/dbraw/zinc/18/40/58/360184058.db2.gz RIAJURQGJHSWMK-YNEHKIRRSA-N 0 3 307.275 2.308 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCNC(=O)c1cccs1 ZINC000602515718 360413773 /nfs/dbraw/zinc/41/37/73/360413773.db2.gz CICSCQUNOCAIQD-ZDUSSCGKSA-N 0 3 321.446 2.166 20 30 DEEDHN COc1cccc(N2CC[C@@H](NCc3cccc(C#N)n3)C2)c1 ZINC000602535323 360422626 /nfs/dbraw/zinc/42/26/26/360422626.db2.gz XKEWPVQXZHGTMX-MRXNPFEDSA-N 0 3 308.385 2.330 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN(C)[C@H](C)CC ZINC000668776263 540727788 /nfs/dbraw/zinc/72/77/88/540727788.db2.gz CUFGWIOSUQDZGX-OAGGEKHMSA-N 0 3 323.481 2.084 20 30 DEEDHN CCN(C[C@H](C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602770831 360544746 /nfs/dbraw/zinc/54/47/46/360544746.db2.gz YKXIAQKPHCINOO-SJLPKXTDSA-N 0 3 301.434 2.105 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cn2)CCO1 ZINC000442710504 238065874 /nfs/dbraw/zinc/06/58/74/238065874.db2.gz QBEKXTKSSWCRDH-FMKPAKJESA-N 0 3 300.406 2.089 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)C1 ZINC000442855002 238085974 /nfs/dbraw/zinc/08/59/74/238085974.db2.gz PGZHNMBXMBXFCD-BNOWGMLFSA-N 0 3 305.809 2.266 20 30 DEEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)[nH]1 ZINC000443797511 238123732 /nfs/dbraw/zinc/12/37/32/238123732.db2.gz FWJOFJYOZNDAGM-UHFFFAOYSA-N 0 3 324.384 2.095 20 30 DEEDHN CN1CC[C@@H]2CCN(c3cc(C#N)c(Br)cn3)[C@H]2C1 ZINC000603333951 360795880 /nfs/dbraw/zinc/79/58/80/360795880.db2.gz IKKDMSHJUXWEAM-MFKMUULPSA-N 0 3 321.222 2.246 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000603817549 360861445 /nfs/dbraw/zinc/86/14/45/360861445.db2.gz IDWZVNQRBZDXEV-GOSISDBHSA-N 0 3 302.418 2.048 20 30 DEEDHN C=CCC[C@@H](NCCCN(C)S(C)(=O)=O)c1ccco1 ZINC000671741027 541006705 /nfs/dbraw/zinc/00/67/05/541006705.db2.gz WUDGUWQXGGYDQJ-CYBMUJFWSA-N 0 3 300.424 2.158 20 30 DEEDHN C=CCC[C@@H](NCCCN1CCCS1(=O)=O)c1ccco1 ZINC000671751710 541007241 /nfs/dbraw/zinc/00/72/41/541007241.db2.gz LHCCZXLTDZZOOH-CQSZACIVSA-N 0 3 312.435 2.302 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609591073 361324586 /nfs/dbraw/zinc/32/45/86/361324586.db2.gz PCDIMHHBWKXNJH-ZDUSSCGKSA-N 0 3 324.222 2.470 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)CC1(CC(=O)OC)CC1 ZINC000281441710 216302535 /nfs/dbraw/zinc/30/25/35/216302535.db2.gz KNPFBXBOZHXYIQ-UHFFFAOYSA-N 0 3 316.401 2.350 20 30 DEEDHN CCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000619280554 363754363 /nfs/dbraw/zinc/75/43/63/363754363.db2.gz KJZGAGMVFBMYIN-INIZCTEOSA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1cccc(C#N)c1 ZINC000610353800 361388179 /nfs/dbraw/zinc/38/81/79/361388179.db2.gz JJHLXAGKMGUKBK-DYVFJYSZSA-N 0 3 312.417 2.403 20 30 DEEDHN N#CC1(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000611197507 361546188 /nfs/dbraw/zinc/54/61/88/361546188.db2.gz JFGSYQKANPJIPH-UHFFFAOYSA-N 0 3 313.401 2.276 20 30 DEEDHN CC(C)(C#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000611622977 361647222 /nfs/dbraw/zinc/64/72/22/361647222.db2.gz QIWCUBFKAOSFPH-HNNXBMFYSA-N 0 3 300.406 2.110 20 30 DEEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000195195699 201356695 /nfs/dbraw/zinc/35/66/95/201356695.db2.gz HNSVUQKYKUVDKR-QGZVFWFLSA-N 0 3 303.406 2.308 20 30 DEEDHN COc1ccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000195302038 201375846 /nfs/dbraw/zinc/37/58/46/201375846.db2.gz TYAPBVDIKLUGHF-GASCZTMLSA-N 0 3 317.433 2.108 20 30 DEEDHN C=C[C@H](NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)OC ZINC000619700943 363859854 /nfs/dbraw/zinc/85/98/54/363859854.db2.gz QQRCCWRTGPRVMV-HIFRSBDPSA-N 0 3 308.447 2.277 20 30 DEEDHN C=C[C@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)C(=O)OC ZINC000619703562 363861365 /nfs/dbraw/zinc/86/13/65/363861365.db2.gz NBHXBDVNZVQKFZ-IRXDYDNUSA-N 0 3 302.418 2.214 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(CCC)C2)cc1OC ZINC000619895173 363892166 /nfs/dbraw/zinc/89/21/66/363892166.db2.gz IPIOVGDTZJMNHG-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCN[C@H](C(C)C)C2)cc1 ZINC000621159859 364287962 /nfs/dbraw/zinc/28/79/62/364287962.db2.gz TYZACEXUXXPTHT-KRWDZBQOSA-N 0 3 302.418 2.250 20 30 DEEDHN CN(C)C1(CNC(=O)N(C)Cc2ccc(C#N)cc2)CCC1 ZINC000275454884 212344534 /nfs/dbraw/zinc/34/45/34/212344534.db2.gz MIMZKMUKDJMXCZ-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H](O)c2cccc(F)c2)CC1 ZINC000091442745 193056057 /nfs/dbraw/zinc/05/60/57/193056057.db2.gz HHRUNNLKRNLRKH-INIZCTEOSA-N 0 3 306.381 2.016 20 30 DEEDHN C=CCc1cc(CN(C)C[C@@H](C)C(=O)OC)cc(OC)c1O ZINC000091985763 193136066 /nfs/dbraw/zinc/13/60/66/193136066.db2.gz IXIGHAGTEGNLAF-GFCCVEGCSA-N 0 3 307.390 2.370 20 30 DEEDHN C=C(CO)C(=O)N1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001329665721 1148962058 /nfs/dbraw/zinc/96/20/58/1148962058.db2.gz BIKMVLMCNGRWAA-UHFFFAOYSA-N 0 3 316.445 2.437 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451494044 243028157 /nfs/dbraw/zinc/02/81/57/243028157.db2.gz HTRRHOQDCHOUNQ-KFWWJZLASA-N 0 3 309.454 2.176 20 30 DEEDHN CO[C@H]1C[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000451513449 243051572 /nfs/dbraw/zinc/05/15/72/243051572.db2.gz YRVIZLBALVSOED-STQMWFEESA-N 0 3 305.378 2.110 20 30 DEEDHN CO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000451549565 243097610 /nfs/dbraw/zinc/09/76/10/243097610.db2.gz UAPQXNQWKZCDAZ-DGCLKSJQSA-N 0 3 307.419 2.305 20 30 DEEDHN C=CC[C@H](C(=O)N1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000275151753 212153986 /nfs/dbraw/zinc/15/39/86/212153986.db2.gz PQKDZOHZOVFJHU-SFHVURJKSA-N 0 3 315.461 2.052 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000275123770 212135380 /nfs/dbraw/zinc/13/53/80/212135380.db2.gz IEFQQNLNNDCDAO-VIFPVBQESA-N 0 3 317.336 2.120 20 30 DEEDHN C=CCC[C@@H](C(=O)NCC1(O)CCN(C)CC1)c1ccccc1 ZINC000275116875 212130347 /nfs/dbraw/zinc/13/03/47/212130347.db2.gz HCWAFNWKDKMWGR-QGZVFWFLSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CC[C@@H](C(=O)NCCCN(C)CCOC)c1ccccc1 ZINC000275096902 212117339 /nfs/dbraw/zinc/11/73/39/212117339.db2.gz DMEHFDWAXXWLPI-QGZVFWFLSA-N 0 3 304.434 2.431 20 30 DEEDHN C#CCOc1ccc(CN2CCC(OCCOC)CC2)cc1 ZINC000093339568 193234826 /nfs/dbraw/zinc/23/48/26/193234826.db2.gz RGGGZACTQQNMQJ-UHFFFAOYSA-N 0 3 303.402 2.326 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000266365332 205294237 /nfs/dbraw/zinc/29/42/37/205294237.db2.gz BCOUPDBBKIBBCK-CQSZACIVSA-N 0 3 312.373 2.045 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)OCC ZINC000456635314 247331483 /nfs/dbraw/zinc/33/14/83/247331483.db2.gz XCNGNIKGSGCJGH-CABCVRRESA-N 0 3 310.438 2.265 20 30 DEEDHN C=CCC[C@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)OCC ZINC000456624313 247318382 /nfs/dbraw/zinc/31/83/82/247318382.db2.gz IAOSEIRODQJWQV-INIZCTEOSA-N 0 3 318.417 2.376 20 30 DEEDHN CCN1CCC(NC(=O)CSc2cccc(C#N)c2)CC1 ZINC000158811004 291646314 /nfs/dbraw/zinc/64/63/14/291646314.db2.gz NOIZBYNQTIHEGX-UHFFFAOYSA-N 0 3 303.431 2.251 20 30 DEEDHN CC(C#N)C(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000492675849 249113949 /nfs/dbraw/zinc/11/39/49/249113949.db2.gz ROAGJSNGIRJUKO-CXAGYDPISA-N 0 3 315.373 2.063 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](OC)c1cccc(OC)c1 ZINC001354371118 1151890514 /nfs/dbraw/zinc/89/05/14/1151890514.db2.gz XYKZUSOYJLSBGY-HZPDHXFCSA-N 0 3 306.406 2.183 20 30 DEEDHN N#CC(C(=O)c1cnc2n[nH]nc2c1)c1ccc2ccccc2n1 ZINC000682128011 542268147 /nfs/dbraw/zinc/26/81/47/542268147.db2.gz UOICARDDWNSKKX-GFCCVEGCSA-N 0 3 314.308 2.391 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](CNCc2ocnc2C)[C@H](C)C1 ZINC001106027612 781970622 /nfs/dbraw/zinc/97/06/22/781970622.db2.gz BIEGACXDLVXENX-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1cccc(C#N)n1 ZINC000270037843 208092186 /nfs/dbraw/zinc/09/21/86/208092186.db2.gz INDNMEACZGHSMJ-UHFFFAOYSA-N 0 3 305.385 2.393 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000265216444 533135628 /nfs/dbraw/zinc/13/56/28/533135628.db2.gz WHCCSWSRYJOOTA-RDJZCZTQSA-N 0 3 314.433 2.452 20 30 DEEDHN C#CCOc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1 ZINC000271452003 208923474 /nfs/dbraw/zinc/92/34/74/208923474.db2.gz RWZWNYMMGWTKGJ-KRWDZBQOSA-N 0 3 301.386 2.474 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSC1CC1 ZINC000294742315 224204680 /nfs/dbraw/zinc/20/46/80/224204680.db2.gz OKVDLXGKCGGWSS-UHFFFAOYSA-N 0 3 317.458 2.344 20 30 DEEDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330920677 533211582 /nfs/dbraw/zinc/21/15/82/533211582.db2.gz ZXBBAYIHMVIKSX-WDEREUQCSA-N 0 3 307.350 2.391 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000425511171 269724893 /nfs/dbraw/zinc/72/48/93/269724893.db2.gz WIOWNLFWFUOSDG-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CCCCCC=C)C[C@H]1OC ZINC001212187536 781979470 /nfs/dbraw/zinc/97/94/70/781979470.db2.gz XVDCAKSUCAQRKB-IAGOWNOFSA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001212187425 781979553 /nfs/dbraw/zinc/97/95/53/781979553.db2.gz SFJOHTMWHYVNHH-PIIXRYACSA-N 0 3 306.450 2.352 20 30 DEEDHN N#Cc1ccc(CN(C(=O)N[C@H]2CCN(C3CC3)C2)C2CC2)cc1 ZINC000544296759 285340243 /nfs/dbraw/zinc/34/02/43/285340243.db2.gz PZWADFRYBQDACZ-INIZCTEOSA-N 0 3 324.428 2.469 20 30 DEEDHN COC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000544411163 285348083 /nfs/dbraw/zinc/34/80/83/285348083.db2.gz SIXXUFXVDIBBOC-FZMZJTMJSA-N 0 3 307.394 2.356 20 30 DEEDHN COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000544415141 285348552 /nfs/dbraw/zinc/34/85/52/285348552.db2.gz JCQGGDBCTDYJMV-CQSZACIVSA-N 0 3 309.797 2.411 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(CC=C)cc1OC ZINC000491657887 533286120 /nfs/dbraw/zinc/28/61/20/533286120.db2.gz KOMVKUREAZBMAF-GOEBONIOSA-N 0 3 303.402 2.117 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CN1CCN(C)CC1 ZINC000330905646 533362847 /nfs/dbraw/zinc/36/28/47/533362847.db2.gz ROFWRHBQZYTVJL-ZDUSSCGKSA-N 0 3 322.453 2.160 20 30 DEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)[C@H]1OCCc2sccc21 ZINC000292297294 533370423 /nfs/dbraw/zinc/37/04/23/533370423.db2.gz CWEDJGWIFPJBTN-MLGOLLRUSA-N 0 3 321.446 2.102 20 30 DEEDHN C[C@@H](N[C@@H]1CCCN(CCCO)C1)c1ccc(C#N)c(F)c1 ZINC000297470310 533519682 /nfs/dbraw/zinc/51/96/82/533519682.db2.gz YOKAIGZKSWKFIA-CZUORRHYSA-N 0 3 305.397 2.195 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(CC(F)(F)F)C2)cc1F ZINC000562671123 292001555 /nfs/dbraw/zinc/00/15/55/292001555.db2.gz DRPMDLFPPBWPSO-LBPRGKRZSA-N 0 3 301.287 2.424 20 30 DEEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000355340042 133019055 /nfs/dbraw/zinc/01/90/55/133019055.db2.gz NSCGTONARYQPDD-GOSISDBHSA-N 0 3 321.380 2.377 20 30 DEEDHN CSC1(CNc2ncc([N+](=O)[O-])cc2C#N)CCN(C)CC1 ZINC000357569556 133085687 /nfs/dbraw/zinc/08/56/87/133085687.db2.gz OXYBFPRXRSXXKA-UHFFFAOYSA-N 0 3 321.406 2.101 20 30 DEEDHN N#Cc1cccc(OCCN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000359606032 133134313 /nfs/dbraw/zinc/13/43/13/133134313.db2.gz ANQMNXMGQIXONL-KRWDZBQOSA-N 0 3 300.333 2.399 20 30 DEEDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1O ZINC000360213439 133169364 /nfs/dbraw/zinc/16/93/64/133169364.db2.gz OYRYARPPDUHCOG-GUYCJALGSA-N 0 3 310.401 2.161 20 30 DEEDHN CC1(C)CC(CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000563882232 292078038 /nfs/dbraw/zinc/07/80/38/292078038.db2.gz UPIMLJNANXRIRI-UHFFFAOYSA-N 0 3 306.431 2.358 20 30 DEEDHN C[C@@H]1[C@@H](CO)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000414020579 404481361 /nfs/dbraw/zinc/48/13/61/404481361.db2.gz DTNFFVVCTKURHR-DJIMGWMZSA-N 0 3 300.402 2.378 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000549299696 285838964 /nfs/dbraw/zinc/83/89/64/285838964.db2.gz JMFZCSGCONMKMG-MRXNPFEDSA-N 0 3 308.385 2.294 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H](C)C1 ZINC000346179043 146031746 /nfs/dbraw/zinc/03/17/46/146031746.db2.gz GJZMRLGVHPAIFG-AHIWAGSCSA-N 0 3 315.392 2.500 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346176824 146032037 /nfs/dbraw/zinc/03/20/37/146032037.db2.gz ZYAWACYZNOQHBN-BFQNTYOBSA-N 0 3 301.390 2.262 20 30 DEEDHN Cc1oc(NC(=O)CN[C@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348145348 146223821 /nfs/dbraw/zinc/22/38/21/146223821.db2.gz KZSWGGWSHUJBNG-DGCLKSJQSA-N 0 3 305.378 2.111 20 30 DEEDHN Cc1oc([N-]C(=O)C[NH2+][C@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348145348 146223822 /nfs/dbraw/zinc/22/38/22/146223822.db2.gz KZSWGGWSHUJBNG-DGCLKSJQSA-N 0 3 305.378 2.111 20 30 DEEDHN N#Cc1cnn2cc(CNCC3(CCO)CCCCC3)cnc12 ZINC000565302893 292153582 /nfs/dbraw/zinc/15/35/82/292153582.db2.gz HHNCOKCYUFBSHP-UHFFFAOYSA-N 0 3 313.405 2.023 20 30 DEEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CC[C@H]1N1CCN(C)CC1 ZINC000370696931 148046093 /nfs/dbraw/zinc/04/60/93/148046093.db2.gz IQTQPDZIWZRMJU-WMLDXEAASA-N 0 3 318.490 2.078 20 30 DEEDHN CN1C[C@H](NC(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000371356396 148092512 /nfs/dbraw/zinc/09/25/12/148092512.db2.gz XKRKKVZCJYZYJK-ROUUACIJSA-N 0 3 305.381 2.386 20 30 DEEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000374412004 148243624 /nfs/dbraw/zinc/24/36/24/148243624.db2.gz OXMMLAPZDVQNFP-HZPDHXFCSA-N 0 3 324.384 2.467 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC([C@@H](C)O)CC1 ZINC000111695803 401721684 /nfs/dbraw/zinc/72/16/84/401721684.db2.gz JEBLPQWQJJBHBM-CRAIPNDOSA-N 0 3 319.445 2.248 20 30 DEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000329902144 404488156 /nfs/dbraw/zinc/48/81/56/404488156.db2.gz PERIMVCIFIZSJA-CYBMUJFWSA-N 0 3 320.437 2.481 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2csc(CC)n2)CC1 ZINC000110494695 401690913 /nfs/dbraw/zinc/69/09/13/401690913.db2.gz WGFHALSXOGOKEX-LBPRGKRZSA-N 0 3 305.447 2.228 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccccc1OCC#N ZINC000110996753 401697057 /nfs/dbraw/zinc/69/70/57/401697057.db2.gz NZMFJUQQLVDOMW-AWEZNQCLSA-N 0 3 301.390 2.193 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112750474 401757297 /nfs/dbraw/zinc/75/72/97/401757297.db2.gz PWNDFRAATSKLFC-UHFFFAOYSA-N 0 3 317.433 2.489 20 30 DEEDHN C[C@H](CNC[C@H](O)COc1ccc(C#N)cc1)C(F)(F)F ZINC000566130698 292208672 /nfs/dbraw/zinc/20/86/72/292208672.db2.gz FCQYLRBDFRDBBG-PWSUYJOCSA-N 0 3 302.296 2.086 20 30 DEEDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000130348959 401828184 /nfs/dbraw/zinc/82/81/84/401828184.db2.gz NOQONVIJRXUKLA-UHFFFAOYSA-N 0 3 311.389 2.024 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCCCCC1 ZINC000030001372 401860635 /nfs/dbraw/zinc/86/06/35/401860635.db2.gz WUZSDWYKJZJHLP-HNNXBMFYSA-N 0 3 315.417 2.318 20 30 DEEDHN C#CCCOc1ccc(CN[C@H]2CCN(C(=O)CC)C2)cc1 ZINC000134529893 401905596 /nfs/dbraw/zinc/90/55/96/401905596.db2.gz XNJZJYMCKZTTNU-INIZCTEOSA-N 0 3 300.402 2.189 20 30 DEEDHN Cc1ccsc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000085274415 401914096 /nfs/dbraw/zinc/91/40/96/401914096.db2.gz BSVFWWSXEVCJSJ-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN Cc1ccc(NC(=O)N(C)CCC#N)c(OCCN(C)C)c1 ZINC000085601513 401918083 /nfs/dbraw/zinc/91/80/83/401918083.db2.gz UFJODDTWLLFCFR-UHFFFAOYSA-N 0 3 304.394 2.313 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCN(CCC)CC2)cc1 ZINC000120218205 401982475 /nfs/dbraw/zinc/98/24/75/401982475.db2.gz OVBCOFPHEFAYGN-UHFFFAOYSA-N 0 3 300.402 2.257 20 30 DEEDHN CN1CCC[C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000120371787 401988447 /nfs/dbraw/zinc/98/84/47/401988447.db2.gz GLZGNYWFTZZTHK-OAHLLOKOSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C(C)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000119327551 401941726 /nfs/dbraw/zinc/94/17/26/401941726.db2.gz ITIYMMIWYFLHOG-UHFFFAOYSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CC1CCN(Cc2c(C)nn(CCC(=O)OC)c2C)CC1 ZINC000093359235 402014953 /nfs/dbraw/zinc/01/49/53/402014953.db2.gz PNWYKEIUNKHKMH-UHFFFAOYSA-N 0 3 305.422 2.461 20 30 DEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000121114262 402015614 /nfs/dbraw/zinc/01/56/14/402015614.db2.gz KWGKBXQALMJGPC-HNNXBMFYSA-N 0 3 310.401 2.365 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000153301078 402138269 /nfs/dbraw/zinc/13/82/69/402138269.db2.gz GTJPUSASSUELPO-WMLDXEAASA-N 0 3 320.458 2.287 20 30 DEEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000153303214 402138427 /nfs/dbraw/zinc/13/84/27/402138427.db2.gz ZOONOGAWDQDFKM-CYBMUJFWSA-N 0 3 323.400 2.237 20 30 DEEDHN C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 ZINC000068353217 402195094 /nfs/dbraw/zinc/19/50/94/402195094.db2.gz HKYWKUSQZVPRDZ-CABCVRRESA-N 0 3 314.433 2.207 20 30 DEEDHN C=CCNC(=O)NC(=O)CNC1(c2cccc(C)c2)CCCC1 ZINC000104076702 402197843 /nfs/dbraw/zinc/19/78/43/402197843.db2.gz OLHJKBIOFISDAA-UHFFFAOYSA-N 0 3 315.417 2.366 20 30 DEEDHN Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)c(OCCN(C)C)c1 ZINC000153677374 402162239 /nfs/dbraw/zinc/16/22/39/402162239.db2.gz HOMWMVOJZYGBEW-UHFFFAOYSA-N 0 3 312.373 2.388 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](CC)c1cccc(Cl)c1 ZINC000125276906 402223235 /nfs/dbraw/zinc/22/32/35/402223235.db2.gz YQDBQJVFTPMIRR-CYBMUJFWSA-N 0 3 309.797 2.393 20 30 DEEDHN Cc1nc(C(=O)N(CCN(C)C)c2ccccc2)ccc1C#N ZINC000069509747 402227405 /nfs/dbraw/zinc/22/74/05/402227405.db2.gz GCPZJMFDSRQCLP-UHFFFAOYSA-N 0 3 308.385 2.470 20 30 DEEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@H]1CCCCO1 ZINC000126128652 402265790 /nfs/dbraw/zinc/26/57/90/402265790.db2.gz NBJZFRQPUKLHHV-CYBMUJFWSA-N 0 3 307.419 2.449 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000126196976 402268944 /nfs/dbraw/zinc/26/89/44/402268944.db2.gz WTEUTDLSYZUMQL-GDXANTJSSA-N 0 3 303.406 2.079 20 30 DEEDHN CC#CCCCC(=O)NCc1ccccc1OCCN(C)C ZINC000185335082 402344496 /nfs/dbraw/zinc/34/44/96/402344496.db2.gz QMFVQWIIEZDBEP-UHFFFAOYSA-N 0 3 302.418 2.437 20 30 DEEDHN COc1ccc(OC)c([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185760465 402374564 /nfs/dbraw/zinc/37/45/64/402374564.db2.gz PFNZGUGBOYRHCO-HEHGZKQESA-N 0 3 304.390 2.409 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2CCN(C(=O)OCC)C2)cc1 ZINC000185770629 402375449 /nfs/dbraw/zinc/37/54/49/402375449.db2.gz GBGZGFXUHJSQDS-HNNXBMFYSA-N 0 3 302.374 2.019 20 30 DEEDHN CN(C)C(=O)COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185785420 402377261 /nfs/dbraw/zinc/37/72/61/402377261.db2.gz OBBQVFWDSWDOIV-HOCLYGCPSA-N 0 3 315.417 2.326 20 30 DEEDHN CC#CCCCC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000185192478 402332671 /nfs/dbraw/zinc/33/26/71/402332671.db2.gz AGPZWBKMUFBAHT-UHFFFAOYSA-N 0 3 302.418 2.437 20 30 DEEDHN C#CCOc1ccccc1CNCCCCCS(C)(=O)=O ZINC000185206451 402334231 /nfs/dbraw/zinc/33/42/31/402334231.db2.gz KCADCQFMHZSRSU-UHFFFAOYSA-N 0 3 309.431 2.003 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000186085696 402399762 /nfs/dbraw/zinc/39/97/62/402399762.db2.gz ZLICKPXPJJYOOO-WMLDXEAASA-N 0 3 317.433 2.399 20 30 DEEDHN COc1cccc(C(=O)NCCNCc2cc(C#N)cs2)c1 ZINC000177691807 402427043 /nfs/dbraw/zinc/42/70/43/402427043.db2.gz KYIIKSAVILUJLA-UHFFFAOYSA-N 0 3 315.398 2.148 20 30 DEEDHN CC(C)(C)[C@@H]1CN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)CCO1 ZINC000329908367 404491604 /nfs/dbraw/zinc/49/16/04/404491604.db2.gz UILSFHWIOKLVLR-KGLIPLIRSA-N 0 3 320.437 2.106 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CC=CCC2)cc1 ZINC000163081608 402441411 /nfs/dbraw/zinc/44/14/11/402441411.db2.gz OFKHTDLMFRKRIS-OAHLLOKOSA-N 0 3 304.415 2.278 20 30 DEEDHN CCCc1cccc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000187240002 402489492 /nfs/dbraw/zinc/48/94/92/402489492.db2.gz ZBULYCYWTJXWKU-ZCXUNETKSA-N 0 3 313.401 2.255 20 30 DEEDHN C=CCNc1ncc(C(=O)NC2CCN(CC=C)CC2)s1 ZINC000178543471 402509592 /nfs/dbraw/zinc/50/95/92/402509592.db2.gz GCWPWYRKMVWYSV-UHFFFAOYSA-N 0 3 306.435 2.121 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000170935961 402543228 /nfs/dbraw/zinc/54/32/28/402543228.db2.gz JTMJYLJRRCTSOX-OAHLLOKOSA-N 0 3 316.380 2.077 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000171726038 402614982 /nfs/dbraw/zinc/61/49/82/402614982.db2.gz FRGZLEBRKCUMDB-UHFFFAOYSA-N 0 3 301.390 2.025 20 30 DEEDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000180546950 402619576 /nfs/dbraw/zinc/61/95/76/402619576.db2.gz XDGPPYYQAROFRY-CQSZACIVSA-N 0 3 303.406 2.326 20 30 DEEDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000180546973 402619694 /nfs/dbraw/zinc/61/96/94/402619694.db2.gz XDGPPYYQAROFRY-AWEZNQCLSA-N 0 3 303.406 2.326 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)CC(C)(C)C)CC1 ZINC000172289702 402648234 /nfs/dbraw/zinc/64/82/34/402648234.db2.gz CBYWMXZCBXQMRP-OAHLLOKOSA-N 0 3 311.470 2.123 20 30 DEEDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(OCC#N)cc1 ZINC000182011467 402664278 /nfs/dbraw/zinc/66/42/78/402664278.db2.gz QRLQAIVCMGPPCH-ZDUSSCGKSA-N 0 3 322.430 2.064 20 30 DEEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000182305850 402679514 /nfs/dbraw/zinc/67/95/14/402679514.db2.gz DQYYQISEHJZRDO-SOUVJXGZSA-N 0 3 307.438 2.265 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C3CCCC3)nn2C)CC1 ZINC000182342330 402682297 /nfs/dbraw/zinc/68/22/97/402682297.db2.gz GNRLCUNWNQXDJT-UHFFFAOYSA-N 0 3 314.433 2.361 20 30 DEEDHN C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)N1CCC(C)CC1 ZINC000173343029 402693536 /nfs/dbraw/zinc/69/35/36/402693536.db2.gz LQQUPJVVMGJGJO-CQSZACIVSA-N 0 3 318.425 2.039 20 30 DEEDHN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(C#N)cc1 ZINC000183331557 402757685 /nfs/dbraw/zinc/75/76/85/402757685.db2.gz CVMHIDRQKRBUAF-PBHICJAKSA-N 0 3 317.433 2.386 20 30 DEEDHN CCn1nccc1N1CCC[C@@H](N[C@H]2CCC[C@H](C#N)C2)C1=O ZINC000193351693 402771100 /nfs/dbraw/zinc/77/11/00/402771100.db2.gz MQLQQQWKOWPSNP-SOUVJXGZSA-N 0 3 315.421 2.070 20 30 DEEDHN N#C[C@H]1CCC[C@H](NCCS(=O)(=O)Cc2ccccc2)C1 ZINC000278188309 402861891 /nfs/dbraw/zinc/86/18/91/402861891.db2.gz FAWVMHKSLHNJBJ-HOTGVXAUSA-N 0 3 306.431 2.273 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000278729656 402870182 /nfs/dbraw/zinc/87/01/82/402870182.db2.gz VPYPRUGAXVIHAW-JTQLQIEISA-N 0 3 309.391 2.292 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(Br)cn2)CC1 ZINC000264481061 402882735 /nfs/dbraw/zinc/88/27/35/402882735.db2.gz LFTPJNNKNMUWKE-UHFFFAOYSA-N 0 3 324.222 2.224 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1N(C)C ZINC000271769995 402883800 /nfs/dbraw/zinc/88/38/00/402883800.db2.gz INPNBRMXTPWKHI-OFTJQPPSSA-N 0 3 315.442 2.075 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000278920219 402885897 /nfs/dbraw/zinc/88/58/97/402885897.db2.gz RSWBMQGUSSBUPH-LPHOPBHVSA-N 0 3 316.445 2.437 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000278921171 402885958 /nfs/dbraw/zinc/88/59/58/402885958.db2.gz KMZMWDDBZJDXCN-ZWKOTPCHSA-N 0 3 309.413 2.347 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000264519053 402886027 /nfs/dbraw/zinc/88/60/27/402886027.db2.gz WAMVXBACZGKMNN-UHFFFAOYSA-N 0 3 316.401 2.115 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000278976917 402892485 /nfs/dbraw/zinc/89/24/85/402892485.db2.gz YBLOETSXIJWUOD-KRWDZBQOSA-N 0 3 322.474 2.403 20 30 DEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000265167403 402897479 /nfs/dbraw/zinc/89/74/79/402897479.db2.gz XSHBPPLYENHPTN-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(C#N)ccc2C)C[C@@H]1N(C)C ZINC000272599281 402957894 /nfs/dbraw/zinc/95/78/94/402957894.db2.gz PGWCBOGVNYETQZ-GJZGRUSLSA-N 0 3 318.446 2.376 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000280011007 402966523 /nfs/dbraw/zinc/96/65/23/402966523.db2.gz JUXDLUIZMAMELO-SUMWQHHRSA-N 0 3 311.385 2.172 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000279177838 402912965 /nfs/dbraw/zinc/91/29/65/402912965.db2.gz SAGCNXXBMGYAKA-OWCLPIDISA-N 0 3 316.449 2.126 20 30 DEEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccn1 ZINC000279179860 402913133 /nfs/dbraw/zinc/91/31/33/402913133.db2.gz HXGAMFQYEBSOBC-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000280134719 402968088 /nfs/dbraw/zinc/96/80/88/402968088.db2.gz VLPJIIGLMNCSGM-KZNAEPCWSA-N 0 3 323.396 2.314 20 30 DEEDHN C[C@@H](O)CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280472292 403002845 /nfs/dbraw/zinc/00/28/45/403002845.db2.gz UEOPPAGZWTXXAV-CZUORRHYSA-N 0 3 313.401 2.154 20 30 DEEDHN Cc1c([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cnn1C ZINC000280482957 403004372 /nfs/dbraw/zinc/00/43/72/403004372.db2.gz PTHYSMDKQDCUTN-BLLLJJGKSA-N 0 3 321.384 2.160 20 30 DEEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000273528941 403012095 /nfs/dbraw/zinc/01/20/95/403012095.db2.gz UUAAQHYGXMDWEG-HNNXBMFYSA-N 0 3 304.390 2.404 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(C)(C)O ZINC000267133856 403018233 /nfs/dbraw/zinc/01/82/33/403018233.db2.gz FJKZUFXBKSVYLZ-CYBMUJFWSA-N 0 3 310.463 2.354 20 30 DEEDHN N#CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000273654633 403023372 /nfs/dbraw/zinc/02/33/72/403023372.db2.gz ZLLNRYVVVJKSLK-INIZCTEOSA-N 0 3 300.406 2.426 20 30 DEEDHN C#Cc1cccc(NC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267194840 403023983 /nfs/dbraw/zinc/02/39/83/403023983.db2.gz PKQRQJYFOMWWNW-INIZCTEOSA-N 0 3 303.431 2.227 20 30 DEEDHN N#CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000273096352 402970910 /nfs/dbraw/zinc/97/09/10/402970910.db2.gz DKFLVHCTZQAAIR-INIZCTEOSA-N 0 3 300.406 2.254 20 30 DEEDHN CCc1ccc([C@@H](CNC(=O)NCCCC#N)N(C)C)cc1 ZINC000273151608 402977019 /nfs/dbraw/zinc/97/70/19/402977019.db2.gz HWSDBHJYPBLRSC-MRXNPFEDSA-N 0 3 302.422 2.455 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000274420577 403054223 /nfs/dbraw/zinc/05/42/23/403054223.db2.gz DFZHZIMKISSVEU-INIZCTEOSA-N 0 3 315.417 2.120 20 30 DEEDHN CC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCCO1 ZINC000281047865 403057862 /nfs/dbraw/zinc/05/78/62/403057862.db2.gz GDVZUCUKWSOLCU-IRXDYDNUSA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274588010 403069754 /nfs/dbraw/zinc/06/97/54/403069754.db2.gz DTOIYRHBYKFWSH-YDHLFZDLSA-N 0 3 321.446 2.280 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000274593384 403070262 /nfs/dbraw/zinc/07/02/62/403070262.db2.gz RJOYOVXMSUKFKD-UHFFFAOYSA-N 0 3 303.431 2.203 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000281659698 403079245 /nfs/dbraw/zinc/07/92/45/403079245.db2.gz KRKNACWXKWNROR-AEFFLSMTSA-N 0 3 318.417 2.223 20 30 DEEDHN CC(C)(CCCO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281696573 403082655 /nfs/dbraw/zinc/08/26/55/403082655.db2.gz 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/nfs/dbraw/zinc/27/98/41/403279841.db2.gz BPHFBQFBXMKHEN-AWEZNQCLSA-N 0 3 316.401 2.033 20 30 DEEDHN C[C@@H]1CSC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000285260764 403279860 /nfs/dbraw/zinc/27/98/60/403279860.db2.gz XKHKRAWNOLLAFP-KCXAZCMYSA-N 0 3 315.442 2.395 20 30 DEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)N(C)C)cc1OC ZINC000298348995 403362777 /nfs/dbraw/zinc/36/27/77/403362777.db2.gz LONIJERFBFVDFN-PLWJUESGSA-N 0 3 318.417 2.340 20 30 DEEDHN CC(C)[C@@H]1CN(C)CCN1CCC(=O)Nc1ccccc1C#N ZINC000331006991 403313630 /nfs/dbraw/zinc/31/36/30/403313630.db2.gz ZZCRZBAPRFXWML-KRWDZBQOSA-N 0 3 314.433 2.159 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@]2(C)CO)c(C#N)c1C ZINC000331129795 403335818 /nfs/dbraw/zinc/33/58/18/403335818.db2.gz AKQVYRLGZONLED-PZSREKOKSA-N 0 3 319.405 2.236 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](CNC(=O)c3ccco3)C2)C1 ZINC000339168517 403371664 /nfs/dbraw/zinc/37/16/64/403371664.db2.gz HPQMGEMONZLNQF-KFWWJZLASA-N 0 3 301.390 2.414 20 30 DEEDHN 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/nfs/dbraw/zinc/65/44/37/403654437.db2.gz ZWVZKSFFSIWJFK-HNNXBMFYSA-N 0 3 302.418 2.260 20 30 DEEDHN CC[C@H]1CN(c2ccc(C#N)nn2)CCN1Cc1ccccc1 ZINC000302161466 403709197 /nfs/dbraw/zinc/70/91/97/403709197.db2.gz PLGCSRJTRFVPBQ-KRWDZBQOSA-N 0 3 307.401 2.449 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000287947456 403697020 /nfs/dbraw/zinc/69/70/20/403697020.db2.gz HCJGMNCBJGTTHL-BFYDXBDKSA-N 0 3 314.433 2.450 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1 ZINC000288243949 403743025 /nfs/dbraw/zinc/74/30/25/403743025.db2.gz OLZOXKYENVLLQR-CZUORRHYSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000295389386 403897096 /nfs/dbraw/zinc/89/70/96/403897096.db2.gz HLUDNJOIDOIAIG-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000344012954 403845962 /nfs/dbraw/zinc/84/59/62/403845962.db2.gz JFRBPZDNZSUJET-UHFFFAOYSA-N 0 3 302.418 2.476 20 30 DEEDHN CN(C)CCN(Cc1ccc(CO)o1)Cc1ccc(C#N)cc1 ZINC000289148926 403852663 /nfs/dbraw/zinc/85/26/63/403852663.db2.gz AXQJUMVFSWNUGB-UHFFFAOYSA-N 0 3 313.401 2.207 20 30 DEEDHN C=CCOCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000354569345 403881467 /nfs/dbraw/zinc/88/14/67/403881467.db2.gz PBZYVAWGUBVFES-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1 ZINC000344116857 403921663 /nfs/dbraw/zinc/92/16/63/403921663.db2.gz OAAFWBQEAXRHGM-UHFFFAOYSA-N 0 3 323.396 2.306 20 30 DEEDHN C=CCc1cc(CN(CCOC)CCN(C)C)cc(OC)c1O ZINC000289373251 403932472 /nfs/dbraw/zinc/93/24/72/403932472.db2.gz BKXGEJWWISOOST-UHFFFAOYSA-N 0 3 322.449 2.139 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N(C)C1CCN(C)CC1 ZINC000362194098 403935021 /nfs/dbraw/zinc/93/50/21/403935021.db2.gz ZOVBERPIWVNGRY-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](CO)C[C@@H]1C ZINC000344151643 403942519 /nfs/dbraw/zinc/94/25/19/403942519.db2.gz SXWIWAVNTBXVNS-DZGCQCFKSA-N 0 3 304.390 2.038 20 30 DEEDHN CCOC[C@H]1CCCCN1C[C@@H](O)COc1ccccc1C#N ZINC000313449775 403986784 /nfs/dbraw/zinc/98/67/84/403986784.db2.gz XTEYMDIIFZABAK-IAGOWNOFSA-N 0 3 318.417 2.189 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnc(C2OCCO2)s1 ZINC000289939831 404010203 /nfs/dbraw/zinc/01/02/03/404010203.db2.gz ZKAGDYNYMAYKEV-DGCLKSJQSA-N 0 3 310.419 2.259 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000337438004 404025132 /nfs/dbraw/zinc/02/51/32/404025132.db2.gz IQNZXEKNJMTRKF-BBRMVZONSA-N 0 3 308.385 2.452 20 30 DEEDHN CC(C#N)C(=O)N1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 ZINC000348067594 404029100 /nfs/dbraw/zinc/02/91/00/404029100.db2.gz DCDASOBNUUAFSA-NDGTYSDOSA-N 0 3 314.389 2.062 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ncncc2C#N)C1 ZINC000323782176 404094730 /nfs/dbraw/zinc/09/47/30/404094730.db2.gz DDARGHMTCANJSD-HNNXBMFYSA-N 0 3 307.401 2.307 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2nccc(C#N)n2)C1 ZINC000323941598 404096274 /nfs/dbraw/zinc/09/62/74/404096274.db2.gz UDXBQPSNCPXKFR-OAHLLOKOSA-N 0 3 307.401 2.307 20 30 DEEDHN N#Cc1ccc(F)c(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000411981178 404042264 /nfs/dbraw/zinc/04/22/64/404042264.db2.gz OKKCYQGKRIRHJA-DLBZAZTESA-N 0 3 323.371 2.398 20 30 DEEDHN CCn1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)ccc1=O ZINC000348131263 404043630 /nfs/dbraw/zinc/04/36/30/404043630.db2.gz BRIVAVYRFBGGJE-HNNXBMFYSA-N 0 3 320.352 2.061 20 30 DEEDHN C=CCOCCCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000348167121 404047670 /nfs/dbraw/zinc/04/76/70/404047670.db2.gz IPSIFKOYWMSHAG-RDJZCZTQSA-N 0 3 324.371 2.419 20 30 DEEDHN C=C(C)CN(CCC(=O)N(C)CC(=O)OC)Cc1ccccc1 ZINC000348236453 404052436 /nfs/dbraw/zinc/05/24/36/404052436.db2.gz VPKJBHVPEKIICB-UHFFFAOYSA-N 0 3 318.417 2.086 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000319405178 404054995 /nfs/dbraw/zinc/05/49/95/404054995.db2.gz MTLNBPAMFCJVSN-ZOBUZTSGSA-N 0 3 309.454 2.056 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000363073946 404063439 /nfs/dbraw/zinc/06/34/39/404063439.db2.gz 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C=CCN1CCC(NC(=O)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000352269891 404258131 /nfs/dbraw/zinc/25/81/31/404258131.db2.gz ZUIOQYDAGQLUEM-INIZCTEOSA-N 0 3 322.836 2.183 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ncc(C#N)cc1Cl ZINC000344620931 404268134 /nfs/dbraw/zinc/26/81/34/404268134.db2.gz RICKVKZSUDERQA-ZDUSSCGKSA-N 0 3 320.824 2.457 20 30 DEEDHN CN1CC=C(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000329222245 404270257 /nfs/dbraw/zinc/27/02/57/404270257.db2.gz WBRBMXJUHLTWNW-HNNXBMFYSA-N 0 3 321.465 2.490 20 30 DEEDHN Cc1noc([C@@H]2CCCN2C(=O)NCCN2CCC[C@H](C)C2)n1 ZINC000329224897 404271364 /nfs/dbraw/zinc/27/13/64/404271364.db2.gz CRZZCJAHWSCMGO-JSGCOSHPSA-N 0 3 321.425 2.161 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC(C)(C)C#N ZINC000355193139 404273124 /nfs/dbraw/zinc/27/31/24/404273124.db2.gz MOJGVASCPDBBIK-GOEBONIOSA-N 0 3 314.433 2.356 20 30 DEEDHN Cc1cc(C)c(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c(=O)[nH]1 ZINC000329265393 404284090 /nfs/dbraw/zinc/28/40/90/404284090.db2.gz CGRGBHVSQFYAHF-CYBMUJFWSA-N 0 3 318.421 2.058 20 30 DEEDHN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000329275861 404287348 /nfs/dbraw/zinc/28/73/48/404287348.db2.gz BTDWFJAUODCBGR-UKRRQHHQSA-N 0 3 322.453 2.382 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000352325743 404290178 /nfs/dbraw/zinc/29/01/78/404290178.db2.gz WKSYTAQIGDOYFR-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnn(C(C)(C)C)c3)[C@@H]2C1 ZINC000329441547 404336644 /nfs/dbraw/zinc/33/66/44/404336644.db2.gz NBNQYPOUGHVQID-TZMCWYRMSA-N 0 3 305.426 2.210 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(F)cc2OC)CC1 ZINC000290919387 404357945 /nfs/dbraw/zinc/35/79/45/404357945.db2.gz MKAJRVIAZAKMTG-UHFFFAOYSA-N 0 3 308.328 2.257 20 30 DEEDHN C[C@H]1CN(C(=O)Nc2cccc3c2OCCC3=O)C[C@@H]1N(C)C ZINC000329339452 404307091 /nfs/dbraw/zinc/30/70/91/404307091.db2.gz NSBPANCYKFXVSY-FZMZJTMJSA-N 0 3 317.389 2.079 20 30 DEEDHN CCN1CCN(CCNC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000329340774 404308145 /nfs/dbraw/zinc/30/81/45/404308145.db2.gz OOILGVOWCMUZKL-UHFFFAOYSA-N 0 3 320.437 2.274 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H](O)C(F)F)ccc1OC ZINC000344783568 404365418 /nfs/dbraw/zinc/36/54/18/404365418.db2.gz ZYBKDACABWIKPJ-GFCCVEGCSA-N 0 3 301.333 2.366 20 30 DEEDHN CCC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000329523207 404365457 /nfs/dbraw/zinc/36/54/57/404365457.db2.gz RMQQKLSQXQYIEI-ZFWWWQNUSA-N 0 3 307.438 2.242 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355801090 404368792 /nfs/dbraw/zinc/36/87/92/404368792.db2.gz FBKVWWSNDFNVOB-IEBWSBKVSA-N 0 3 316.445 2.437 20 30 DEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000344818236 404386575 /nfs/dbraw/zinc/38/65/75/404386575.db2.gz KZTCKGQSIDWMQF-ZIAGYGMSSA-N 0 3 310.417 2.287 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)C1 ZINC000329625750 404397677 /nfs/dbraw/zinc/39/76/77/404397677.db2.gz GMGGCFKFYCDANI-OWCLPIDISA-N 0 3 311.470 2.427 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000297055800 404430615 /nfs/dbraw/zinc/43/06/15/404430615.db2.gz XRYPLBVWUIKECC-MRXNPFEDSA-N 0 3 301.434 2.387 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)Cc3c(F)cccc3C#N)C2)C1 ZINC000356231184 404407483 /nfs/dbraw/zinc/40/74/83/404407483.db2.gz MWEFLNCWTVWLKZ-GOSISDBHSA-N 0 3 315.392 2.184 20 30 DEEDHN CCOC[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1 ZINC000329918561 404495094 /nfs/dbraw/zinc/49/50/94/404495094.db2.gz RFVAROGRTGXMFU-LSDHHAIUSA-N 0 3 320.437 2.108 20 30 DEEDHN Cc1nc(NC[C@H](O)CN2CCc3ccccc3C2)ccc1C#N ZINC000291590377 404440171 /nfs/dbraw/zinc/44/01/71/404440171.db2.gz HNARTONCPZIMND-SFHVURJKSA-N 0 3 322.412 2.093 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 ZINC000356317753 404444784 /nfs/dbraw/zinc/44/47/84/404444784.db2.gz WADYLMPITJZULC-LJQANCHMSA-N 0 3 311.429 2.435 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000329804628 404456972 /nfs/dbraw/zinc/45/69/72/404456972.db2.gz KGNMEVHTAQLUPJ-HWWQOWPSSA-N 0 3 322.409 2.240 20 30 DEEDHN C[C@H]1CN(c2ccc(F)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000371349582 404457426 /nfs/dbraw/zinc/45/74/26/404457426.db2.gz KCTDRGFLPMULSX-YOEHRIQHSA-N 0 3 316.424 2.160 20 30 DEEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCCN(CC)CC1 ZINC000350753103 404463271 /nfs/dbraw/zinc/46/32/71/404463271.db2.gz WIFPGQFBZZALBL-LSDHHAIUSA-N 0 3 319.453 2.094 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352570756 404463305 /nfs/dbraw/zinc/46/33/05/404463305.db2.gz LWHRTZVHGULSAQ-HNNXBMFYSA-N 0 3 302.484 2.336 20 30 DEEDHN O=C(N[C@@H]1CCc2c1cccc2O)N[C@@H]1CCn2ccnc2C1 ZINC000330235751 404595846 /nfs/dbraw/zinc/59/58/46/404595846.db2.gz HAZLQLQCEACPQV-BXUZGUMPSA-N 0 3 312.373 2.095 20 30 DEEDHN O=C(NCCc1cn2c(n1)CCCC2)[C@H]1CCCN1C1CC1 ZINC000330204614 404584656 /nfs/dbraw/zinc/58/46/56/404584656.db2.gz BUNHQXHOGCOGJU-OAHLLOKOSA-N 0 3 302.422 2.345 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccccc1)CC(F)F ZINC000297283304 404533000 /nfs/dbraw/zinc/53/30/00/404533000.db2.gz GMWAARAMBSEXSK-UHFFFAOYSA-N 0 3 323.387 2.418 20 30 DEEDHN CC(C)(CC#N)CN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000414172127 404535112 /nfs/dbraw/zinc/53/51/12/404535112.db2.gz VOJPLEKZFMVPBK-OAHLLOKOSA-N 0 3 321.446 2.241 20 30 DEEDHN O=C(NCCc1nnc2n1CCC2)[C@@H]1CCCN1C1CCCC1 ZINC000330096140 404549397 /nfs/dbraw/zinc/54/93/97/404549397.db2.gz WWCHXLQKYWRJPS-AWEZNQCLSA-N 0 3 317.437 2.130 20 30 DEEDHN Cc1noc([C@@H](C)NC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000330142161 404563122 /nfs/dbraw/zinc/56/31/22/404563122.db2.gz QJCXLTZIPKGFJV-GFCCVEGCSA-N 0 3 321.425 2.303 20 30 DEEDHN CCC(CC)CN(CCC#N)C(=O)CCN1CCN(CC)CC1 ZINC000345292558 404660699 /nfs/dbraw/zinc/66/06/99/404660699.db2.gz MXMPEMQHTWQWII-UHFFFAOYSA-N 0 3 322.497 2.192 20 30 DEEDHN N#CCCOCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297716560 404600875 /nfs/dbraw/zinc/60/08/75/404600875.db2.gz RKIHLCWISAOLSC-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1sccc1Cl ZINC000414429886 404626239 /nfs/dbraw/zinc/62/62/39/404626239.db2.gz VMDZRXKELDHRHW-QMMMGPOBSA-N 0 3 307.824 2.007 20 30 DEEDHN C[C@@H]1CSC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000352800802 404633320 /nfs/dbraw/zinc/63/33/20/404633320.db2.gz PXOMVQKJEQMWHG-UKRRQHHQSA-N 0 3 303.431 2.274 20 30 DEEDHN Cn1cc(CN2CC[C@](O)(C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000373908228 404635435 /nfs/dbraw/zinc/63/54/35/404635435.db2.gz HPMBRRVZLNYUIX-LJQANCHMSA-N 0 3 322.412 2.306 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000330552125 404687606 /nfs/dbraw/zinc/68/76/06/404687606.db2.gz FGQPUIPPRWTLCV-HUUCEWRRSA-N 0 3 314.433 2.301 20 30 DEEDHN CCOC(=O)c1ccc(C#N)c(SC[C@@H]2CCN(C)C2)n1 ZINC000352903152 404687742 /nfs/dbraw/zinc/68/77/42/404687742.db2.gz RNQKYBUCSPQOPN-LLVKDONJSA-N 0 3 305.403 2.174 20 30 DEEDHN C=CCOCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000351615040 404672303 /nfs/dbraw/zinc/67/23/03/404672303.db2.gz KRNBFOQQVOBCJW-UHFFFAOYSA-N 0 3 312.479 2.057 20 30 DEEDHN C=CCOc1ccc(CN2CCNC[C@@](C)(F)C2)cc1OC ZINC000414766855 404728391 /nfs/dbraw/zinc/72/83/91/404728391.db2.gz IMWLDTVYEPUTIB-QGZVFWFLSA-N 0 3 308.397 2.393 20 30 DEEDHN Cc1ccnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000357400155 404733403 /nfs/dbraw/zinc/73/34/03/404733403.db2.gz CNXAOTLTZRGMHG-INIZCTEOSA-N 0 3 304.353 2.260 20 30 DEEDHN CSc1nnc(CCCNC(=O)C(C)C#N)n1C1CCCC1 ZINC000357818298 404744350 /nfs/dbraw/zinc/74/43/50/404744350.db2.gz HKGGHPDCKMAFKL-NSHDSACASA-N 0 3 321.450 2.324 20 30 DEEDHN Cc1nccnc1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000358264866 404757998 /nfs/dbraw/zinc/75/79/98/404757998.db2.gz LCCKONFZZDABTK-MRXNPFEDSA-N 0 3 308.385 2.216 20 30 DEEDHN Cc1ccc2ncc(C#N)c(NC[C@@H]3CN4CCC[C@@H]4CO3)c2c1 ZINC000366177254 404767490 /nfs/dbraw/zinc/76/74/90/404767490.db2.gz JHMCAXJNWUMPFQ-HZPDHXFCSA-N 0 3 322.412 2.112 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000375907701 404769984 /nfs/dbraw/zinc/76/99/84/404769984.db2.gz STLFIGLYJQWJPU-ZWKOTPCHSA-N 0 3 322.412 2.142 20 30 DEEDHN CC(C)(C#N)CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000358630046 404770410 /nfs/dbraw/zinc/77/04/10/404770410.db2.gz VMTGINVRZMMUJR-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000375473692 404723739 /nfs/dbraw/zinc/72/37/39/404723739.db2.gz RCLFJSPVMAJOPG-CHWSQXEVSA-N 0 3 303.244 2.128 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000358931747 404780052 /nfs/dbraw/zinc/78/00/52/404780052.db2.gz DKZIGZDGTKZKIB-GJZGRUSLSA-N 0 3 321.469 2.310 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2COc3ccc(C)cc32)CC1 ZINC000366273520 404783970 /nfs/dbraw/zinc/78/39/70/404783970.db2.gz RTJXPKXDPGIRIT-MRXNPFEDSA-N 0 3 315.417 2.378 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000353449002 404833955 /nfs/dbraw/zinc/83/39/55/404833955.db2.gz LYFKOGGDKBDJCO-MAUKXSAKSA-N 0 3 307.482 2.216 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)C2CCC(OC)CC2)CC1 ZINC000360859792 404839633 /nfs/dbraw/zinc/83/96/33/404839633.db2.gz OFLNCHOXJHNSMN-UHFFFAOYSA-N 0 3 309.454 2.236 20 30 DEEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000415306171 404844074 /nfs/dbraw/zinc/84/40/74/404844074.db2.gz HXNLFAOVQYBCHQ-TVQRCGJNSA-N 0 3 322.796 2.446 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360890484 404845895 /nfs/dbraw/zinc/84/58/95/404845895.db2.gz AJJBUECXRPNQPD-VHSXEESVSA-N 0 3 300.284 2.225 20 30 DEEDHN C=CCOc1cccc(CN(C)[C@@H](C)CN2CCOCC2)c1 ZINC000435043338 404952868 /nfs/dbraw/zinc/95/28/68/404952868.db2.gz AWSDWRPGQJMPRX-INIZCTEOSA-N 0 3 304.434 2.404 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435347881 404972763 /nfs/dbraw/zinc/97/27/63/404972763.db2.gz PDGDJUMMKQPSTR-SUMWQHHRSA-N 0 3 309.413 2.189 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@H](C(C)=O)C2(C)C)CC1 ZINC000353770851 404966153 /nfs/dbraw/zinc/96/61/53/404966153.db2.gz IECWSTOWOVRYMO-GOEBONIOSA-N 0 3 306.450 2.394 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000415809692 404948195 /nfs/dbraw/zinc/94/81/95/404948195.db2.gz UTDUDDJYTBKIFA-FZMZJTMJSA-N 0 3 302.378 2.101 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1cc(Br)cs1 ZINC000424094269 405002923 /nfs/dbraw/zinc/00/29/23/405002923.db2.gz LMDFGVVLNJSVDU-SNVBAGLBSA-N 0 3 316.224 2.148 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000424113665 405010036 /nfs/dbraw/zinc/01/00/36/405010036.db2.gz NYPDYZPGQIRSND-CABCVRRESA-N 0 3 321.808 2.261 20 30 DEEDHN COc1ccc(OC(C)C)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424112662 405010146 /nfs/dbraw/zinc/01/01/46/405010146.db2.gz KMMXGYJOCTXNSN-ZDUSSCGKSA-N 0 3 305.378 2.442 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000424113667 405010167 /nfs/dbraw/zinc/01/01/67/405010167.db2.gz NYPDYZPGQIRSND-HUUCEWRRSA-N 0 3 321.808 2.261 20 30 DEEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000424118752 405012747 /nfs/dbraw/zinc/01/27/47/405012747.db2.gz DUJUQLPMKYEUFS-ILXRZTDVSA-N 0 3 309.454 2.450 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)C[C@@H](c2ccsc2)O1 ZINC000424123007 405014466 /nfs/dbraw/zinc/01/44/66/405014466.db2.gz JNAFHUFOZFPSKO-XBFCOCLRSA-N 0 3 307.419 2.058 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(F)c1 ZINC000424126381 405015210 /nfs/dbraw/zinc/01/52/10/405015210.db2.gz SWVVIVUNUQHILD-HIFRSBDPSA-N 0 3 307.369 2.120 20 30 DEEDHN CCOC(=O)CCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424125491 405015397 /nfs/dbraw/zinc/01/53/97/405015397.db2.gz NVXHPCJMZRILFS-OAHLLOKOSA-N 0 3 317.389 2.142 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000361317360 405020193 /nfs/dbraw/zinc/02/01/93/405020193.db2.gz ZPXYLJCNKINFDW-ZJUUUORDSA-N 0 3 311.179 2.492 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000424163085 405027018 /nfs/dbraw/zinc/02/70/18/405027018.db2.gz XIOZQRVNTUMKED-IAGOWNOFSA-N 0 3 308.385 2.308 20 30 DEEDHN C=CCN1CCC(NC(=O)C(C)(C)C2CCC(O)CC2)CC1 ZINC000416150166 405038187 /nfs/dbraw/zinc/03/81/87/405038187.db2.gz JCPXVENNIAMVKJ-UHFFFAOYSA-N 0 3 308.466 2.330 20 30 DEEDHN COc1cc(NC(=O)C2(C#N)CCC2)ccc1OCCN(C)C ZINC000416345880 405113706 /nfs/dbraw/zinc/11/37/06/405113706.db2.gz YCJJBFZTZNTWET-UHFFFAOYSA-N 0 3 317.389 2.268 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418648627 405148752 /nfs/dbraw/zinc/14/87/52/405148752.db2.gz HWXPZSSUEMMGJI-MRXNPFEDSA-N 0 3 305.422 2.093 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000424745856 405166889 /nfs/dbraw/zinc/16/68/89/405166889.db2.gz KIMYQBLHMKIKTI-JKSUJKDBSA-N 0 3 307.482 2.073 20 30 DEEDHN C=CCOCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000354335843 405163435 /nfs/dbraw/zinc/16/34/35/405163435.db2.gz KFELLTZFTQYVSH-UHFFFAOYSA-N 0 3 302.418 2.312 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000424753141 405167972 /nfs/dbraw/zinc/16/79/72/405167972.db2.gz AWJQFWLZFOILSK-KRWDZBQOSA-N 0 3 316.445 2.472 20 30 DEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(C#N)cc1Cl ZINC000439446854 405279110 /nfs/dbraw/zinc/27/91/10/405279110.db2.gz QSFUOCYCWTVZFD-CYBMUJFWSA-N 0 3 321.852 2.489 20 30 DEEDHN C=CCn1cc(CN[C@@H](C)CCc2ccc(OC)c(O)c2)nn1 ZINC000425361663 405280647 /nfs/dbraw/zinc/28/06/47/405280647.db2.gz ZURVMLMURXHPQJ-ZDUSSCGKSA-N 0 3 316.405 2.289 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000439638464 405287434 /nfs/dbraw/zinc/28/74/34/405287434.db2.gz VTOMPIVEROBZTE-MGPQQGTHSA-N 0 3 307.438 2.121 20 30 DEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000419184690 405226854 /nfs/dbraw/zinc/22/68/54/405226854.db2.gz DCKKVEOAJPXNRO-HNNXBMFYSA-N 0 3 318.417 2.209 20 30 DEEDHN CO[C@H](CC(C)C)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000419284746 405235396 /nfs/dbraw/zinc/23/53/96/405235396.db2.gz TYJCSQSELWLLKV-JKSUJKDBSA-N 0 3 303.406 2.467 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CCNC[C@@](C)(F)C2)c1C ZINC000420326997 405320754 /nfs/dbraw/zinc/32/07/54/405320754.db2.gz GAQWCIDEVNUDKZ-QGZVFWFLSA-N 0 3 307.413 2.107 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@H](C#N)C2)o1 ZINC000425855317 405324674 /nfs/dbraw/zinc/32/46/74/405324674.db2.gz ZGQRTVZIMXBLJN-LSDHHAIUSA-N 0 3 318.421 2.354 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000426114102 405338911 /nfs/dbraw/zinc/33/89/11/405338911.db2.gz OTANVUINSCBZMO-ZDUSSCGKSA-N 0 3 311.307 2.059 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCO[C@H]1C=C)C(C)C ZINC000455417779 405407095 /nfs/dbraw/zinc/40/70/95/405407095.db2.gz SWKFSPJFMILOAO-IKGGRYGDSA-N 0 3 321.465 2.328 20 30 DEEDHN CN(C(=O)CN1CCC[C@H](CCO)CC1)C1(C#N)CCCCC1 ZINC000421041503 405438599 /nfs/dbraw/zinc/43/85/99/405438599.db2.gz OTKHRQSSJWXICA-INIZCTEOSA-N 0 3 321.465 2.156 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000448737188 405443053 /nfs/dbraw/zinc/44/30/53/405443053.db2.gz MYXOAYKBFYBRSU-CVEARBPZSA-N 0 3 304.390 2.157 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000429698606 405444152 /nfs/dbraw/zinc/44/41/52/405444152.db2.gz CQDSSTLATBSQNR-SFHVURJKSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000429728726 405446303 /nfs/dbraw/zinc/44/63/03/405446303.db2.gz XMBSDFJLHMBSQV-OAHLLOKOSA-N 0 3 314.433 2.325 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455762162 405448427 /nfs/dbraw/zinc/44/84/27/405448427.db2.gz AUMDPPMDJVLSIJ-LLVKDONJSA-N 0 3 321.812 2.412 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1ccc(C)n1)C(C)C ZINC000448974423 405481154 /nfs/dbraw/zinc/48/11/54/405481154.db2.gz KDBFLZZAJNQSQC-MRXNPFEDSA-N 0 3 304.438 2.006 20 30 DEEDHN N#CCC[C@@H](C#N)CNCC1(N2CCOCC2)CCCCC1 ZINC000556481265 405485014 /nfs/dbraw/zinc/48/50/14/405485014.db2.gz LVSCWZFLBMYJQQ-INIZCTEOSA-N 0 3 304.438 2.055 20 30 DEEDHN C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(Cc2ccccc2)C1 ZINC000577735551 405502396 /nfs/dbraw/zinc/50/23/96/405502396.db2.gz KZAFUDVBZQEHQL-GOSISDBHSA-N 0 3 308.385 2.281 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC[C@H]2CCOC2)cc1 ZINC000456757344 405550974 /nfs/dbraw/zinc/55/09/74/405550974.db2.gz HWYHXRIQLLQXCO-IRXDYDNUSA-N 0 3 311.385 2.173 20 30 DEEDHN C=CCC1(C(=O)NCCCN2CCN(CC)CC2)CCCC1 ZINC000449567488 405617150 /nfs/dbraw/zinc/61/71/50/405617150.db2.gz WGKZSGZRSCTFAR-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN N#Cc1cc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ncn1 ZINC000557736085 405624730 /nfs/dbraw/zinc/62/47/30/405624730.db2.gz HIGZKQCHBWMTKT-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN C=C(C)CCNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449477028 405578650 /nfs/dbraw/zinc/57/86/50/405578650.db2.gz OGZIAQMIGMVMLI-UHFFFAOYSA-N 0 3 308.334 2.202 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456977385 405640442 /nfs/dbraw/zinc/64/04/42/405640442.db2.gz KBMOVVXYRYVGBZ-BRWVUGGUSA-N 0 3 311.385 2.314 20 30 DEEDHN CC[C@H]1CN(CCN[C@@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000494469827 405705272 /nfs/dbraw/zinc/70/52/72/405705272.db2.gz UZEWSXGTTKAMBH-BBRMVZONSA-N 0 3 305.397 2.459 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCC)CCN1CCCC1 ZINC000459035335 405706589 /nfs/dbraw/zinc/70/65/89/405706589.db2.gz CXMAPWQQFPDWOL-CVEARBPZSA-N 0 3 309.454 2.237 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000559048449 405716486 /nfs/dbraw/zinc/71/64/86/405716486.db2.gz BNNUUXBMLKSWSA-UONOGXRCSA-N 0 3 300.406 2.254 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000582433077 405730856 /nfs/dbraw/zinc/73/08/56/405730856.db2.gz LWDWGCFKIAUZTF-JSGCOSHPSA-N 0 3 300.406 2.112 20 30 DEEDHN C=C(CN(C)C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000494709753 405752955 /nfs/dbraw/zinc/75/29/55/405752955.db2.gz HKCZBQYPFARAQQ-UHFFFAOYSA-N 0 3 320.393 2.485 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N(C)C(C)(C)CN1CCCC1 ZINC000561078644 405889423 /nfs/dbraw/zinc/88/94/23/405889423.db2.gz DVIGPDTUVWDFMU-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN CC(C#N)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000495302391 405869252 /nfs/dbraw/zinc/86/92/52/405869252.db2.gz PYOZYEIRGPZCMI-BLLLJJGKSA-N 0 3 309.410 2.299 20 30 DEEDHN N#CCCOCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495662983 405930059 /nfs/dbraw/zinc/93/00/59/405930059.db2.gz YTMCFOUVELASMI-INIZCTEOSA-N 0 3 323.437 2.440 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495721473 405932175 /nfs/dbraw/zinc/93/21/75/405932175.db2.gz QDOQODQTSWWKDI-ZIAGYGMSSA-N 0 3 311.426 2.104 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000457653576 405937389 /nfs/dbraw/zinc/93/73/89/405937389.db2.gz IEHDCVZKISFWEB-INIZCTEOSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C(C)CN(CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1 ZINC000459431160 405901243 /nfs/dbraw/zinc/90/12/43/405901243.db2.gz DNZOOMUCSDDDFY-AWEZNQCLSA-N 0 3 301.390 2.005 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000433222042 405902369 /nfs/dbraw/zinc/90/23/69/405902369.db2.gz STIMRSHMRDCXQH-MRXNPFEDSA-N 0 3 309.369 2.479 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000561280846 405917296 /nfs/dbraw/zinc/91/72/96/405917296.db2.gz HWMLBGJDSWBVAH-UHFFFAOYSA-N 0 3 312.417 2.352 20 30 DEEDHN CCCCO[C@@H]1C[C@H](NCC(=O)NC2(C#N)CCC2)C1(C)C ZINC000450972361 406006485 /nfs/dbraw/zinc/00/64/85/406006485.db2.gz QSHWSCGEIMKNOW-UONOGXRCSA-N 0 3 307.438 2.122 20 30 DEEDHN CCO[C@@H]1C[C@H]1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000567039871 406093200 /nfs/dbraw/zinc/09/32/00/406093200.db2.gz BSCMZCJSJIONIQ-HZPDHXFCSA-N 0 3 311.389 2.126 20 30 DEEDHN CO[C@H]1C[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCC2 ZINC000459771188 406039141 /nfs/dbraw/zinc/03/91/41/406039141.db2.gz RNGQTRSHNYRYLK-KBPBESRZSA-N 0 3 317.389 2.254 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000634193447 406048824 /nfs/dbraw/zinc/04/88/24/406048824.db2.gz IFXBZZZJANZCME-KRWDZBQOSA-N 0 3 302.422 2.374 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2F)co1 ZINC000515059270 406056809 /nfs/dbraw/zinc/05/68/09/406056809.db2.gz UIPSMAQZLGWGNI-GFCCVEGCSA-N 0 3 302.309 2.440 20 30 DEEDHN COC(=O)c1sc(NC(=O)[C@H](N)CCCC#N)nc1C(C)C ZINC000563707131 406061805 /nfs/dbraw/zinc/06/18/05/406061805.db2.gz MEHPOJQMRJNPAC-SECBINFHSA-N 0 3 324.406 2.013 20 30 DEEDHN COC(=O)c1sc(NC(=O)[C@@H](N)CCCC#N)nc1C(C)C ZINC000563707139 406061883 /nfs/dbraw/zinc/06/18/83/406061883.db2.gz MEHPOJQMRJNPAC-VIFPVBQESA-N 0 3 324.406 2.013 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000565064665 406070189 /nfs/dbraw/zinc/07/01/89/406070189.db2.gz LVDVOVQMCIVGBM-RHSMWYFYSA-N 0 3 300.406 2.110 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NCC[C@H]3CCOC3)C2=O)cc1 ZINC000517199182 406123958 /nfs/dbraw/zinc/12/39/58/406123958.db2.gz KNMKFNBJYQFOOB-RDJZCZTQSA-N 0 3 313.401 2.070 20 30 DEEDHN CN(C)[C@@H](CNC(=O)Nc1cccc(C#N)n1)Cc1ccccc1 ZINC000567827284 406144814 /nfs/dbraw/zinc/14/48/14/406144814.db2.gz FLHBAPLKDBZKKZ-MRXNPFEDSA-N 0 3 323.400 2.248 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000568144037 406197694 /nfs/dbraw/zinc/19/76/94/406197694.db2.gz RYAVSBJPGDODIZ-ROUUACIJSA-N 0 3 302.418 2.094 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)Nc1cccc(C#N)n1 ZINC000519716262 406242204 /nfs/dbraw/zinc/24/22/04/406242204.db2.gz TZBIKZSCAFEPQZ-UHFFFAOYSA-N 0 3 301.394 2.293 20 30 DEEDHN OCC1([C@H](NCC#Cc2ccc(F)cc2)[C@H]2CCCO2)CCC1 ZINC000639768026 406244009 /nfs/dbraw/zinc/24/40/09/406244009.db2.gz RABGRJXAVCACDS-QZTJIDSGSA-N 0 3 317.404 2.477 20 30 DEEDHN Cc1cc(CN(C)C[C@@H](O)COCCOC(C)C)ccc1C#N ZINC000487869187 406267677 /nfs/dbraw/zinc/26/76/77/406267677.db2.gz KFHJCLFEWGILNN-GOSISDBHSA-N 0 3 320.433 2.101 20 30 DEEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCC1(C#N)CC1 ZINC000569906852 406317868 /nfs/dbraw/zinc/31/78/68/406317868.db2.gz NUDCPEOVIFHLHG-UHFFFAOYSA-N 0 3 306.454 2.444 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000632987129 406346280 /nfs/dbraw/zinc/34/62/80/406346280.db2.gz ZECIOLGKVQRNGC-VXGBXAGGSA-N 0 3 305.344 2.277 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNC(=O)c1ccn[nH]1 ZINC000570105574 406348061 /nfs/dbraw/zinc/34/80/61/406348061.db2.gz FEEICLHTJDCADF-INIZCTEOSA-N 0 3 323.400 2.068 20 30 DEEDHN N#CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000541053987 406299744 /nfs/dbraw/zinc/29/97/44/406299744.db2.gz LXNQUPPFLUOLPC-UHFFFAOYSA-N 0 3 319.449 2.174 20 30 DEEDHN Cc1cccnc1C(C)(C)CNCc1cnc2c(C#N)cnn2c1 ZINC000569847168 406312428 /nfs/dbraw/zinc/31/24/28/406312428.db2.gz FESZCTCANVNTDD-UHFFFAOYSA-N 0 3 320.400 2.372 20 30 DEEDHN COCCN(CCCOc1cccc(C#N)c1)[C@@H]1CCO[C@H]1C ZINC000489463869 406409219 /nfs/dbraw/zinc/40/92/19/406409219.db2.gz AMYCPSFPNBYSPV-MAUKXSAKSA-N 0 3 318.417 2.453 20 30 DEEDHN N#CCC1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000570236652 406366762 /nfs/dbraw/zinc/36/67/62/406366762.db2.gz JXXAWKWQNRCGRW-INIZCTEOSA-N 0 3 312.417 2.104 20 30 DEEDHN CC(C)OC1CC(N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000521978936 406380004 /nfs/dbraw/zinc/38/00/04/406380004.db2.gz WFLDOAAGUNMGEM-PCKAHOCUSA-N 0 3 301.390 2.362 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc3ccccc3n2)CC1 ZINC000490556626 406469995 /nfs/dbraw/zinc/46/99/95/406469995.db2.gz WAXPPEFWYVKFRS-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc3ccccc3n2)CC1 ZINC000490594579 406473100 /nfs/dbraw/zinc/47/31/00/406473100.db2.gz TZLBZRRPHVCKFE-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2cccc(OC)c2)CC1 ZINC000490668620 406480775 /nfs/dbraw/zinc/48/07/75/406480775.db2.gz AUZQIGVCVAOMJD-OAHLLOKOSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN(CCN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1 ZINC000490677221 406481675 /nfs/dbraw/zinc/48/16/75/406481675.db2.gz KFOLWYOKCMFFTK-UHFFFAOYSA-N 0 3 317.433 2.119 20 30 DEEDHN C#CCN(CC)C[C@H](O)COc1ccc(/C=C/C)cc1OC ZINC000490739673 406488421 /nfs/dbraw/zinc/48/84/21/406488421.db2.gz GDWBVKCPRACCNR-WHWKNOJMSA-N 0 3 303.402 2.423 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccc(F)cc1 ZINC000491243357 406553131 /nfs/dbraw/zinc/55/31/31/406553131.db2.gz WJYAHUMXYFKGLD-DYVFJYSZSA-N 0 3 315.392 2.450 20 30 DEEDHN C#CCN1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000491296528 406563470 /nfs/dbraw/zinc/56/34/70/406563470.db2.gz MKTIVOWMUQBXRB-JKSUJKDBSA-N 0 3 322.449 2.404 20 30 DEEDHN C#C[C@H](NC(=O)NCCN(CC)C1CC1)c1ccc(F)cc1 ZINC000491621153 406635530 /nfs/dbraw/zinc/63/55/30/406635530.db2.gz GBBVDCCHDOQMLL-INIZCTEOSA-N 0 3 303.381 2.284 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(C(CC)CC)c1CC ZINC000491349091 406572926 /nfs/dbraw/zinc/57/29/26/406572926.db2.gz GWKWQLICJXZKON-UHFFFAOYSA-N 0 3 318.465 2.492 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000645843356 406662230 /nfs/dbraw/zinc/66/22/30/406662230.db2.gz MRIBWLKNUWDJKI-SJORKVTESA-N 0 3 322.474 2.217 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000491703644 406678413 /nfs/dbraw/zinc/67/84/13/406678413.db2.gz JUIAQYAKNMTJTN-WBMJQRKESA-N 0 3 308.809 2.145 20 30 DEEDHN C#C[C@@H](NC(=O)NC1CCN(CCOC(C)C)CC1)C(C)(C)C ZINC000491627352 406637917 /nfs/dbraw/zinc/63/79/17/406637917.db2.gz MGEMVWVYHGBKDM-MRXNPFEDSA-N 0 3 323.481 2.223 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CCOC)CC2)CC1 ZINC000527726118 406731318 /nfs/dbraw/zinc/73/13/18/406731318.db2.gz CITBBHOVXABARE-UHFFFAOYSA-N 0 3 323.481 2.485 20 30 DEEDHN C#CCN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000491813625 406732854 /nfs/dbraw/zinc/73/28/54/406732854.db2.gz BGQQJPNWZUPDSQ-INIZCTEOSA-N 0 3 322.449 2.092 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CN1C1CC1 ZINC000572939375 406767008 /nfs/dbraw/zinc/76/70/08/406767008.db2.gz MFOBGWJFEDSFLH-LGRHPFTQSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)CSc1ccccc1 ZINC000491788658 406720246 /nfs/dbraw/zinc/72/02/46/406720246.db2.gz YAVANMCAFDTWCN-OAHLLOKOSA-N 0 3 304.459 2.486 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000491805813 406729273 /nfs/dbraw/zinc/72/92/73/406729273.db2.gz PFUXOSVBFZFTKP-HOTGVXAUSA-N 0 3 305.397 2.385 20 30 DEEDHN N#Cc1ncn(CCN[C@@H]2CCc3cc(F)c(Cl)cc32)n1 ZINC000527900210 406784169 /nfs/dbraw/zinc/78/41/69/406784169.db2.gz UPEXRHDJYCRADF-CYBMUJFWSA-N 0 3 305.744 2.219 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000554629669 406818960 /nfs/dbraw/zinc/81/89/60/406818960.db2.gz BECCKKPJULRVOK-VYDXJSESSA-N 0 3 314.433 2.356 20 30 DEEDHN C=CCC1(C(=O)NCCCCN2CCN(C)CC2)CCCC1 ZINC000576788206 406832983 /nfs/dbraw/zinc/83/29/83/406832983.db2.gz OCWXEIPUNVQCKR-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN N#CC1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC000577163212 406835410 /nfs/dbraw/zinc/83/54/10/406835410.db2.gz FHLJYEPSDHJICK-INIZCTEOSA-N 0 3 312.417 2.104 20 30 DEEDHN CN(C/C=C\Cl)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001422930319 1172948352 /nfs/dbraw/zinc/94/83/52/1172948352.db2.gz HZRFUYXVZWIYFD-UQCOIBPSSA-N 0 3 306.797 2.175 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CNCCC1(F)F ZINC000644014917 407072275 /nfs/dbraw/zinc/07/22/75/407072275.db2.gz HWRVIDBMVDZJKW-HNNXBMFYSA-N 0 3 324.371 2.455 20 30 DEEDHN CCCC(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001422967747 1172982668 /nfs/dbraw/zinc/98/26/68/1172982668.db2.gz UBVSELGXXILVRA-INIZCTEOSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cncc([O-])c1)C(C)C ZINC000133119348 196313593 /nfs/dbraw/zinc/31/35/93/196313593.db2.gz ARDLUQFTFRMVMY-INIZCTEOSA-N 0 3 303.406 2.216 20 30 DEEDHN N#CC(C(=O)c1cccc(C(N)=O)c1)c1cnc2ccccc2n1 ZINC000190937333 225098498 /nfs/dbraw/zinc/09/84/98/225098498.db2.gz QEZQNOUFSCFMBE-CYBMUJFWSA-N 0 3 316.320 2.219 20 30 DEEDHN N#CCCCOc1cccc(CN[C@@H]2CCCCNC2=O)c1 ZINC000238088671 225212923 /nfs/dbraw/zinc/21/29/23/225212923.db2.gz SILYHJYICNGPEM-MRXNPFEDSA-N 0 3 301.390 2.127 20 30 DEEDHN Cc1csc(C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000265403758 225331465 /nfs/dbraw/zinc/33/14/65/225331465.db2.gz AVFMLQHETWCCIG-LLVKDONJSA-N 0 3 315.354 2.469 20 30 DEEDHN C[C@@H](CC#N)N(C)CCCN1CCN(c2ccccc2)CC1 ZINC000286423900 225616652 /nfs/dbraw/zinc/61/66/52/225616652.db2.gz MNDOKYWWRWNUPE-KRWDZBQOSA-N 0 3 300.450 2.433 20 30 DEEDHN C[C@@H](NCCOCCC#N)c1cccc(N2CCCC2=O)c1 ZINC000293751001 225710221 /nfs/dbraw/zinc/71/02/21/225710221.db2.gz IUNJBACLYAATER-CQSZACIVSA-N 0 3 301.390 2.394 20 30 DEEDHN Cc1cc(NC(=O)NC2CCN(C)CC2)c(C#N)cc1N(C)C ZINC000331225520 226071464 /nfs/dbraw/zinc/07/14/64/226071464.db2.gz CEHFKQWBVBMGFR-UHFFFAOYSA-N 0 3 315.421 2.353 20 30 DEEDHN CN(C(=O)CN1CC[C@H](O)C12CCCC2)C1(C#N)CCCCC1 ZINC000333458890 226106592 /nfs/dbraw/zinc/10/65/92/226106592.db2.gz PBZMSPHBCRMONU-HNNXBMFYSA-N 0 3 319.449 2.051 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(CC#N)c1 ZINC000337261833 226134141 /nfs/dbraw/zinc/13/41/41/226134141.db2.gz XTXNUTOZRLBDBM-UHFFFAOYSA-N 0 3 322.412 2.352 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000337560685 226138835 /nfs/dbraw/zinc/13/88/35/226138835.db2.gz VCKAJVQWJAPQQU-YCPHGPKFSA-N 0 3 313.401 2.298 20 30 DEEDHN N#CC1(CCCN2CCS[C@@H]3COCC[C@@H]32)CCOCC1 ZINC000369198409 227026224 /nfs/dbraw/zinc/02/62/24/227026224.db2.gz OGAVDXGVFSOOEC-LSDHHAIUSA-N 0 3 310.463 2.293 20 30 DEEDHN C=CCNc1ncc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)s1 ZINC000290465293 221675034 /nfs/dbraw/zinc/67/50/34/221675034.db2.gz LMVUCYRNAVGNRV-QWHCGFSZSA-N 0 3 320.462 2.440 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000375485529 227150525 /nfs/dbraw/zinc/15/05/25/227150525.db2.gz QUQNVCXCUKQALA-QCPWZWHMSA-N 0 3 313.401 2.063 20 30 DEEDHN C[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)[C@@H]1CO ZINC000305731034 533682519 /nfs/dbraw/zinc/68/25/19/533682519.db2.gz NMPRXCSCHWZHLJ-DGCLKSJQSA-N 0 3 307.419 2.041 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)[C@H]1C ZINC001088902048 782033254 /nfs/dbraw/zinc/03/32/54/782033254.db2.gz XVYUEUFDEMVFDI-DOMZBBRYSA-N 0 3 300.406 2.123 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2cccc(OC)c2)C[C@@H]1C ZINC001328265503 1148759844 /nfs/dbraw/zinc/75/98/44/1148759844.db2.gz BYHBSZBFUWMACD-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN N#Cc1cc2c(nc1NCCN1CCCCCC1)CCOC2 ZINC000518901750 421670857 /nfs/dbraw/zinc/67/08/57/421670857.db2.gz ACJOBXLEAHTWNO-UHFFFAOYSA-N 0 3 300.406 2.314 20 30 DEEDHN Cc1cc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)ncc1C#N ZINC000603113548 422444457 /nfs/dbraw/zinc/44/44/57/422444457.db2.gz POOUAIHQOABFPZ-ZDUSSCGKSA-N 0 3 315.421 2.456 20 30 DEEDHN COc1ccc([C@@H](CNc2cc(C#N)ncn2)N2CCCC2)cc1 ZINC000565870454 424907609 /nfs/dbraw/zinc/90/76/09/424907609.db2.gz UPTFVVDNTYDXSM-QGZVFWFLSA-N 0 3 323.400 2.606 20 30 DEEDHN C[C@H]1C[C@H](C)CN(CCSc2nc(N)c(C#N)cc2C#N)C1 ZINC000566497102 424910957 /nfs/dbraw/zinc/91/09/57/424910957.db2.gz SCBLQCLBDRAVGG-RYUDHWBXSA-N 0 3 315.446 2.477 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000340744979 424948999 /nfs/dbraw/zinc/94/89/99/424948999.db2.gz VMVUJRKEMPGWNL-UHFFFAOYSA-N 0 3 306.410 2.744 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000649324180 424993641 /nfs/dbraw/zinc/99/36/41/424993641.db2.gz NKNORDSHOYWWIY-STQMWFEESA-N 0 3 322.371 2.046 20 30 DEEDHN CC(C)N1CCN(c2cccc(Nc3cc(C#N)cnn3)c2)CC1 ZINC000596177356 425019894 /nfs/dbraw/zinc/01/98/94/425019894.db2.gz CVECGSBBZVCCKI-UHFFFAOYSA-N 0 3 322.416 2.622 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC[C@H](C)C1)[C@H](C)COC ZINC000663627462 425201168 /nfs/dbraw/zinc/20/11/68/425201168.db2.gz IPGIOQNBDFBWGB-HRCADAONSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCCn1cc(CN[C@H](C)CN(C)Cc2ccccc2)nn1 ZINC000657427896 425331087 /nfs/dbraw/zinc/33/10/87/425331087.db2.gz GTICBWIIYVYHAT-MRXNPFEDSA-N 0 3 313.449 2.464 20 30 DEEDHN C=CCCn1cc(CNCC(C)(C)N2CCC[C@H](C)C2)nn1 ZINC000657324590 425304578 /nfs/dbraw/zinc/30/45/78/425304578.db2.gz DXQLZMZCIQHYAT-HNNXBMFYSA-N 0 3 305.470 2.454 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc(C#N)cs1 ZINC000084188243 267382884 /nfs/dbraw/zinc/38/28/84/267382884.db2.gz SFCAKYPKUZNRGF-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654581861 425388502 /nfs/dbraw/zinc/38/85/02/425388502.db2.gz JVHQRHFMTHQBAA-FZKCQIBNSA-N 0 3 307.438 2.036 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CCN(C)C ZINC000665392977 425562102 /nfs/dbraw/zinc/56/21/02/425562102.db2.gz KOMUOEBNVQSAQC-DLBZAZTESA-N 0 3 324.513 2.256 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN(C)[C@@H](CN)C(F)(F)F)c1C ZINC000662331464 425625933 /nfs/dbraw/zinc/62/59/33/425625933.db2.gz HYRAOVZQDYXUIP-AWEZNQCLSA-N 0 3 317.355 2.295 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000666237263 425722206 /nfs/dbraw/zinc/72/22/06/425722206.db2.gz AKLQOQCIYFGZAL-CQSZACIVSA-N 0 3 305.426 2.265 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000666626985 425791361 /nfs/dbraw/zinc/79/13/61/425791361.db2.gz SLBOGHZUNNUJJY-SFHVURJKSA-N 0 3 302.418 2.013 20 30 DEEDHN C=CCOc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1 ZINC000662841401 425747401 /nfs/dbraw/zinc/74/74/01/425747401.db2.gz KCTHDZWWTTUIJL-UHFFFAOYSA-N 0 3 300.362 2.004 20 30 DEEDHN N#Cc1cccc(NC(=O)NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000529125478 268280374 /nfs/dbraw/zinc/28/03/74/268280374.db2.gz UFLWZAUITJGACP-HNNXBMFYSA-N 0 3 313.405 2.482 20 30 DEEDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(C#N)o2)C1 ZINC000495567018 269155626 /nfs/dbraw/zinc/15/56/26/269155626.db2.gz SGKWRYCTFAYZPI-CHWSQXEVSA-N 0 3 305.378 2.498 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1cn2c(n1)SCC2 ZINC000329866199 287679481 /nfs/dbraw/zinc/67/94/81/287679481.db2.gz USENTHWDMWSDMN-VXGBXAGGSA-N 0 3 308.451 2.361 20 30 DEEDHN CS[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1N1CCCC1 ZINC000286502398 274183823 /nfs/dbraw/zinc/18/38/23/274183823.db2.gz AUJLDULMJDAIKZ-CHWSQXEVSA-N 0 3 308.476 2.339 20 30 DEEDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@@H]1N(C)C ZINC000413198228 274186224 /nfs/dbraw/zinc/18/62/24/274186224.db2.gz BWCAKSLVIYUWHW-GJZGRUSLSA-N 0 3 320.418 2.257 20 30 DEEDHN C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416729763 274222726 /nfs/dbraw/zinc/22/27/26/274222726.db2.gz QUCAZHJRJSILCH-LRDDRELGSA-N 0 3 300.406 2.185 20 30 DEEDHN CC1(C)C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C(C)(C)O1 ZINC000329901710 276145604 /nfs/dbraw/zinc/14/56/04/276145604.db2.gz HDHONRVXHREKJQ-STQMWFEESA-N 0 3 320.437 2.295 20 30 DEEDHN CN(C)CCc1ccccc1NC(=O)C1(C#N)CCOCC1 ZINC000275594910 276793930 /nfs/dbraw/zinc/79/39/30/276793930.db2.gz GBCGEIRPKZYWBT-UHFFFAOYSA-N 0 3 301.390 2.050 20 30 DEEDHN CN1C[C@@H](NC(=O)c2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000375887126 277194252 /nfs/dbraw/zinc/19/42/52/277194252.db2.gz BEAOANKGWHWUJB-QZTJIDSGSA-N 0 3 305.381 2.386 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](CO)CN2CCCCC2)CCCCC1 ZINC000413803034 277825328 /nfs/dbraw/zinc/82/53/28/277825328.db2.gz VRERFIHAYPISOL-MRXNPFEDSA-N 0 3 308.466 2.476 20 30 DEEDHN C=CCN(CCOC)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000458936943 277853559 /nfs/dbraw/zinc/85/35/59/277853559.db2.gz NTSBGRFPUACYEW-INIZCTEOSA-N 0 3 311.470 2.341 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)c1ncc(C#N)cc1Cl ZINC000427908495 279303280 /nfs/dbraw/zinc/30/32/80/279303280.db2.gz ZPRDASJLRHMBHI-LLVKDONJSA-N 0 3 306.797 2.211 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C12CCCC2 ZINC000347682747 279866297 /nfs/dbraw/zinc/86/62/97/279866297.db2.gz CZFIJDOFXXROHH-UXLLHSPISA-N 0 3 321.465 2.368 20 30 DEEDHN CN(C)C1(CNC(=O)N2CCCC[C@@H]2c2ccnn2C)CCC1 ZINC000329816993 289042144 /nfs/dbraw/zinc/04/21/44/289042144.db2.gz FQUVCQRUNIIMHX-OAHLLOKOSA-N 0 3 319.453 2.345 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000329759349 289559196 /nfs/dbraw/zinc/55/91/96/289559196.db2.gz OTANSFDNZLYMTR-FRFSOERESA-N 0 3 309.454 2.322 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C(=O)N[C@@H](C)CN3CCCCC3)C2)c1 ZINC000329636280 293005210 /nfs/dbraw/zinc/00/52/10/293005210.db2.gz YBSVHTNYBXVDRF-JKSUJKDBSA-N 0 3 319.453 2.227 20 30 DEEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1S(C)(=O)=O ZINC000424322210 295024637 /nfs/dbraw/zinc/02/46/37/295024637.db2.gz ICVQKHFSOQSLCQ-SGMGOOAPSA-N 0 3 322.430 2.442 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H](O)C12CCCC2 ZINC000330357706 295378136 /nfs/dbraw/zinc/37/81/36/295378136.db2.gz TWLYRUIMMWEDQT-JKSUJKDBSA-N 0 3 321.465 2.297 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H]1CCN1C1CCOCC1)c1ccccc1 ZINC001349458926 1151251886 /nfs/dbraw/zinc/25/18/86/1151251886.db2.gz GBBDUKPZYLJPSE-MSOLQXFVSA-N 0 3 314.429 2.326 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H]1C ZINC001088960903 782081143 /nfs/dbraw/zinc/08/11/43/782081143.db2.gz GYJDGECGNJQYBX-KDOFPFPSSA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2c(C)noc2C)C[C@H]1C ZINC001328283818 1148765067 /nfs/dbraw/zinc/76/50/67/1148765067.db2.gz MNJUVPBWSBULOV-CZUORRHYSA-N 0 3 317.433 2.216 20 30 DEEDHN CN(C)Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC001349896202 1151305107 /nfs/dbraw/zinc/30/51/07/1151305107.db2.gz DYFJMXVNXSWBRU-AWEZNQCLSA-N 0 3 308.813 2.361 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)nn(CCC)c2C)[C@H]1C ZINC001088965777 782088305 /nfs/dbraw/zinc/08/83/05/782088305.db2.gz FBCGTWOJLNVAPN-ZBFHGGJFSA-N 0 3 316.449 2.126 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2cccs2)s1 ZINC000572751345 325975866 /nfs/dbraw/zinc/97/58/66/325975866.db2.gz FCLJWSHYZQNEDF-LLVKDONJSA-N 0 3 308.428 2.349 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000573985209 326112301 /nfs/dbraw/zinc/11/23/01/326112301.db2.gz NROUVCWJNFARHB-JSGCOSHPSA-N 0 3 300.406 2.112 20 30 DEEDHN CC(C)[C@@H](CNc1ccnc(C#N)n1)N1CCc2ccccc2C1 ZINC000574926771 326202245 /nfs/dbraw/zinc/20/22/45/326202245.db2.gz MSPBALOUVMYLLP-QGZVFWFLSA-N 0 3 321.428 2.265 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc3c(c2)COC3)cc1 ZINC000580065249 332924323 /nfs/dbraw/zinc/92/43/23/332924323.db2.gz PPUPZHGDKUSZPZ-SFHVURJKSA-N 0 3 324.380 2.118 20 30 DEEDHN C=CCOCCN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000292827780 335095936 /nfs/dbraw/zinc/09/59/36/335095936.db2.gz OOBUCPIJHHYGBM-UHFFFAOYSA-N 0 3 322.474 2.321 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(F)cc2)cc1 ZINC000560369230 332335017 /nfs/dbraw/zinc/33/50/17/332335017.db2.gz PZUKAKURLKIAJC-QGZVFWFLSA-N 0 3 314.360 2.421 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(F)cc2)cc1 ZINC000560369229 332335166 /nfs/dbraw/zinc/33/51/66/332335166.db2.gz PZUKAKURLKIAJC-KRWDZBQOSA-N 0 3 314.360 2.421 20 30 DEEDHN O[C@H](CNCC#Cc1ccccc1)COCc1ccccc1F ZINC000562987498 333013612 /nfs/dbraw/zinc/01/36/12/333013612.db2.gz XVVSYJYGCAAHBQ-GOSISDBHSA-N 0 3 313.372 2.345 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000563036706 333104483 /nfs/dbraw/zinc/10/44/83/333104483.db2.gz RETQZGYBBKECKJ-RDJZCZTQSA-N 0 3 321.465 2.237 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000497251821 333227392 /nfs/dbraw/zinc/22/73/92/333227392.db2.gz KOFZVULHAGXFQF-SUMWQHHRSA-N 0 3 321.421 2.396 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000497313657 333234561 /nfs/dbraw/zinc/23/45/61/333234561.db2.gz LMGFYBQLKRHZSG-CQSZACIVSA-N 0 3 310.438 2.426 20 30 DEEDHN CC#CCCNCc1ccccc1OCC(=O)NCC1CC1 ZINC000354175178 336462428 /nfs/dbraw/zinc/46/24/28/336462428.db2.gz AJGDLQUXTCBGGZ-UHFFFAOYSA-N 0 3 300.402 2.095 20 30 DEEDHN N#Cc1ccnc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000393835729 337094094 /nfs/dbraw/zinc/09/40/94/337094094.db2.gz PWSGOFJJROGDJK-SJORKVTESA-N 0 3 319.412 2.307 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000582469695 337094299 /nfs/dbraw/zinc/09/42/99/337094299.db2.gz VXYBSRFBCUIPLZ-QLFBSQMISA-N 0 3 309.454 2.140 20 30 DEEDHN Cc1ncsc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000514667526 337147590 /nfs/dbraw/zinc/14/75/90/337147590.db2.gz CJFZUDXXBRDAOE-CQSZACIVSA-N 0 3 317.414 2.047 20 30 DEEDHN C=CCC[C@H]1NC(=O)N([C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000583743148 337328265 /nfs/dbraw/zinc/32/82/65/337328265.db2.gz MLNJNZIHHCFWRU-HZPDHXFCSA-N 0 3 313.401 2.148 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001356921821 1152181511 /nfs/dbraw/zinc/18/15/11/1152181511.db2.gz VNBJBEMYKMIILV-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CCC(NN=C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000496026586 339996904 /nfs/dbraw/zinc/99/69/04/339996904.db2.gz NVOMAQXHNPZAFQ-UHFFFAOYSA-N 0 3 324.469 2.494 20 30 DEEDHN CC(C)(C)OC(=O)NCCOCCN1CCC(C)(C#N)CC1 ZINC000496312990 340002875 /nfs/dbraw/zinc/00/28/75/340002875.db2.gz VKVPQTFXGCJORA-UHFFFAOYSA-N 0 3 311.426 2.153 20 30 DEEDHN C[C@H](C#N)OCCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496475863 340006299 /nfs/dbraw/zinc/00/62/99/340006299.db2.gz PBDUPZUAKHARQX-CQSZACIVSA-N 0 3 323.437 2.248 20 30 DEEDHN CC(C#N)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496632811 340009317 /nfs/dbraw/zinc/00/93/17/340009317.db2.gz NMIORKVPNSOLNO-DGCLKSJQSA-N 0 3 307.394 2.146 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497056874 340019165 /nfs/dbraw/zinc/01/91/65/340019165.db2.gz MDNIIGNMIBXEJB-QNWHQSFQSA-N 0 3 309.410 2.296 20 30 DEEDHN COc1ncccc1NC(=O)C(C#N)c1nc(C)c(C)s1 ZINC000505456076 340168853 /nfs/dbraw/zinc/16/88/53/340168853.db2.gz VEZZRYIQXWLBKA-JTQLQIEISA-N 0 3 302.359 2.409 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1 ZINC000174482234 340389499 /nfs/dbraw/zinc/38/94/99/340389499.db2.gz FFGWHMKAADNDTM-ZDUSSCGKSA-N 0 3 318.392 2.357 20 30 DEEDHN CC(C)c1nc(C2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)no1 ZINC000528367580 340707160 /nfs/dbraw/zinc/70/71/60/340707160.db2.gz SHKNEHUSZCSDAL-AWEZNQCLSA-N 0 3 318.421 2.427 20 30 DEEDHN C=CCSCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000542817822 341021981 /nfs/dbraw/zinc/02/19/81/341021981.db2.gz YYCUQBUTQUPGIR-MRXNPFEDSA-N 0 3 319.474 2.329 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(CC#N)CC1)N1CCC(C)CC1 ZINC000542851587 341023542 /nfs/dbraw/zinc/02/35/42/341023542.db2.gz XOKPFNASGPJQOP-OAHLLOKOSA-N 0 3 306.454 2.442 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(CCOCC)CCCC2)CC1 ZINC000133680613 341181604 /nfs/dbraw/zinc/18/16/04/341181604.db2.gz PIMCBWLJFKXGBL-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000549750368 341302017 /nfs/dbraw/zinc/30/20/17/341302017.db2.gz BAEHMDBWPMXRRZ-JQWIXIFHSA-N 0 3 303.328 2.069 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000248993223 341391490 /nfs/dbraw/zinc/39/14/90/341391490.db2.gz ODEAPLRNLXKJLZ-UTUOFQBUSA-N 0 3 303.328 2.212 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)[C@H]1C ZINC001089014588 782113182 /nfs/dbraw/zinc/11/31/82/782113182.db2.gz DLCYVGBBGOTEJL-JLSDUUJJSA-N 0 3 314.429 2.283 20 30 DEEDHN Cc1nc(CNC2CCC(NC(=O)[C@@H](C)C#N)CC2)c(C)s1 ZINC001376659991 1159649628 /nfs/dbraw/zinc/64/96/28/1159649628.db2.gz BCCDABZBBRYKSE-FNBIGBAISA-N 0 3 320.462 2.437 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)cc1C(=O)OC ZINC001357215227 1152271771 /nfs/dbraw/zinc/27/17/71/1152271771.db2.gz UEYMBSMDEXOWRS-ZDUSSCGKSA-N 0 3 306.362 2.104 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(Cc2cccs2)CC1 ZINC001357338160 1152290564 /nfs/dbraw/zinc/29/05/64/1152290564.db2.gz PTPXFEMBXFGJEV-OAHLLOKOSA-N 0 3 307.463 2.076 20 30 DEEDHN CCCCCCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC001329826058 1149000330 /nfs/dbraw/zinc/00/03/30/1149000330.db2.gz MMKXPAODHSAUQO-MRXNPFEDSA-N 0 3 323.481 2.160 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC1(OC)CCC1 ZINC001329921687 1149016042 /nfs/dbraw/zinc/01/60/42/1149016042.db2.gz RPYIMWDEDJEXSI-MRXNPFEDSA-N 0 3 306.450 2.330 20 30 DEEDHN CCOc1ccc2c(c1)CN(C(=O)[C@H](N)CCCCC#N)CC2 ZINC001329933900 1149018478 /nfs/dbraw/zinc/01/84/78/1149018478.db2.gz ORPBJCRJBDYAMS-QGZVFWFLSA-N 0 3 315.417 2.381 20 30 DEEDHN CSC[C@H](C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001378562663 1152377770 /nfs/dbraw/zinc/37/77/70/1152377770.db2.gz VTUVXWFVWXNVPT-KGLIPLIRSA-N 0 3 319.474 2.399 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C1CN(C[C@@H]2CCCCO2)C1 ZINC001329985428 1149027497 /nfs/dbraw/zinc/02/74/97/1149027497.db2.gz UGACNPCKWWJBEQ-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)[C@H]1C ZINC001089059168 782142123 /nfs/dbraw/zinc/14/21/23/782142123.db2.gz BWKGNCPYMDTNPU-ZACQAIPSSA-N 0 3 301.434 2.268 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001330033078 1149038520 /nfs/dbraw/zinc/03/85/20/1149038520.db2.gz YWMBOYKVHJYHBB-RHSMWYFYSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001358528082 1152399404 /nfs/dbraw/zinc/39/94/04/1152399404.db2.gz JBFOFTRTTIRBAV-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001330060590 1149043476 /nfs/dbraw/zinc/04/34/76/1149043476.db2.gz LFCAFQIAJCTDJZ-YJBOKZPZSA-N 0 3 313.445 2.281 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H](Cc1ccccc1)N(CC)CC ZINC000184373675 500571898 /nfs/dbraw/zinc/57/18/98/500571898.db2.gz LOECOSNOKLEJNC-KRWDZBQOSA-N 0 3 324.490 2.435 20 30 DEEDHN CCO[C@H](CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001378744826 1152432968 /nfs/dbraw/zinc/43/29/68/1152432968.db2.gz SBKJMDIXAGSDBI-SWLSCSKDSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292992689 534048751 /nfs/dbraw/zinc/04/87/51/534048751.db2.gz OBOCMAYZGJPFBL-GUYCJALGSA-N 0 3 311.389 2.040 20 30 DEEDHN N#CCSCCCN1CCN(CCc2ccccc2)CC1 ZINC000074980891 518196432 /nfs/dbraw/zinc/19/64/32/518196432.db2.gz WBROVWXAWQTGPG-UHFFFAOYSA-N 0 3 303.475 2.494 20 30 DEEDHN N#CCOc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1 ZINC000264522706 534693848 /nfs/dbraw/zinc/69/38/48/534693848.db2.gz BAMBRPXBCFMLSH-UHFFFAOYSA-N 0 3 323.396 2.467 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000451653565 534744736 /nfs/dbraw/zinc/74/47/36/534744736.db2.gz SKSZQEJGOWGZKU-HNNXBMFYSA-N 0 3 302.484 2.383 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CCC)on2)C1 ZINC001099102701 782163194 /nfs/dbraw/zinc/16/31/94/782163194.db2.gz VKGJKYWZJJZEJM-GUYCJALGSA-N 0 3 303.406 2.397 20 30 DEEDHN C[C@H](O)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000225780996 525700306 /nfs/dbraw/zinc/70/03/06/525700306.db2.gz CBJVJTDQPBIDAY-NSHDSACASA-N 0 3 307.419 2.041 20 30 DEEDHN C=CCN(CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191120614 526301003 /nfs/dbraw/zinc/30/10/03/526301003.db2.gz BIXQVXLRJRDRIS-UHFFFAOYSA-N 0 3 321.377 2.366 20 30 DEEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339158363 526372801 /nfs/dbraw/zinc/37/28/01/526372801.db2.gz RBECUJWJQXWNAC-VBQJREDUSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC3(CCOCC3)C2)CC1 ZINC000369861770 526425410 /nfs/dbraw/zinc/42/54/10/526425410.db2.gz LHUCSHBGSRYFHC-UHFFFAOYSA-N 0 3 321.465 2.239 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000413236545 526439100 /nfs/dbraw/zinc/43/91/00/526439100.db2.gz KCTAFYJIZZTSGZ-DYVFJYSZSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000336998749 526444882 /nfs/dbraw/zinc/44/48/82/526444882.db2.gz QRBFKMVGRHXBHW-INIZCTEOSA-N 0 3 302.443 2.470 20 30 DEEDHN CC(=O)N(C)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264577957 526463233 /nfs/dbraw/zinc/46/32/33/526463233.db2.gz UODMGUHHZHLBSB-UHFFFAOYSA-N 0 3 301.390 2.032 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000330633270 526577543 /nfs/dbraw/zinc/57/75/43/526577543.db2.gz JRTYLJVOIZVEDY-LSDHHAIUSA-N 0 3 309.454 2.346 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000448008051 526586628 /nfs/dbraw/zinc/58/66/28/526586628.db2.gz CUNGIEGFJIYUCX-MRXNPFEDSA-N 0 3 323.481 2.483 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000376347789 526595947 /nfs/dbraw/zinc/59/59/47/526595947.db2.gz BOCBTAPWNSDZDE-FUHWJXTLSA-N 0 3 321.465 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nc3c(s2)CCC3)CC1 ZINC000416147251 526602058 /nfs/dbraw/zinc/60/20/58/526602058.db2.gz ARHBKTKKZYCBOD-UHFFFAOYSA-N 0 3 305.447 2.402 20 30 DEEDHN Cc1nc(C(=O)Nc2cccc(OCCN(C)C)c2)ccc1C#N ZINC000337264461 526658482 /nfs/dbraw/zinc/65/84/82/526658482.db2.gz SDORCOPSRMDQSI-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000296697767 526739022 /nfs/dbraw/zinc/73/90/22/526739022.db2.gz DSLJZGMWRGSKML-CRAIPNDOSA-N 0 3 312.413 2.255 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000332546855 526797639 /nfs/dbraw/zinc/79/76/39/526797639.db2.gz CIETZUNIODCZEK-IKGGRYGDSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000296746963 526816068 /nfs/dbraw/zinc/81/60/68/526816068.db2.gz DVGNXSDTVOFNJP-AWEZNQCLSA-N 0 3 305.397 2.184 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)CNc1ccccc1 ZINC000297538081 526816536 /nfs/dbraw/zinc/81/65/36/526816536.db2.gz RGYYJFUBNQYYLN-INIZCTEOSA-N 0 3 316.449 2.131 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](C)c2nc(C)cs2)CC1 ZINC000182593207 526925754 /nfs/dbraw/zinc/92/57/54/526925754.db2.gz IIRJHNZRNHUMPC-LBPRGKRZSA-N 0 3 305.447 2.016 20 30 DEEDHN C=CC[C@@H](CO)CNCc1c(Cl)cccc1N1CCOCC1 ZINC000339338706 527077795 /nfs/dbraw/zinc/07/77/95/527077795.db2.gz SMWDNHWUGWVTEH-CQSZACIVSA-N 0 3 324.852 2.451 20 30 DEEDHN C#CCOc1ccc(CN[C@@H](C)CC(=O)N(CC)CC)cc1 ZINC000295022172 527105292 /nfs/dbraw/zinc/10/52/92/527105292.db2.gz NFVPSLVCXUBVTH-HNNXBMFYSA-N 0 3 302.418 2.435 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337436227 527615490 /nfs/dbraw/zinc/61/54/90/527615490.db2.gz WRNLBEOTFQUFRE-STQMWFEESA-N 0 3 302.365 2.327 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CC[C@H](O)C1)C(C)C ZINC000190095962 527648353 /nfs/dbraw/zinc/64/83/53/527648353.db2.gz ZETCWYBAZXFSME-IXDOHACOSA-N 0 3 323.481 2.145 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C1(CC)CC ZINC000429351380 528096532 /nfs/dbraw/zinc/09/65/32/528096532.db2.gz SNVYYUXMJYIJCI-CABCVRRESA-N 0 3 309.454 2.322 20 30 DEEDHN CC(C)n1cnc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000330959539 528610899 /nfs/dbraw/zinc/61/08/99/528610899.db2.gz AETZXUQCFHQQNA-UHFFFAOYSA-N 0 3 321.469 2.185 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375832422 528692759 /nfs/dbraw/zinc/69/27/59/528692759.db2.gz XGUBQDQMYQFXRM-BRWVUGGUSA-N 0 3 321.465 2.133 20 30 DEEDHN CCN1CCN([C@@H](C)CNC(=O)c2c(C)noc2C(C)C)CC1 ZINC000330400777 529150643 /nfs/dbraw/zinc/15/06/43/529150643.db2.gz SLIKLZCEJMQKTP-ZDUSSCGKSA-N 0 3 322.453 2.437 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000356087888 536373606 /nfs/dbraw/zinc/37/36/06/536373606.db2.gz TWLULQWUHLCHBM-LLVKDONJSA-N 0 3 324.331 2.375 20 30 DEEDHN CN1CC[C@@H]2CN(Cc3ccc(Br)cc3C#N)C[C@@H]21 ZINC000451626642 536466627 /nfs/dbraw/zinc/46/66/27/536466627.db2.gz UVPVNYKVRNBILM-DOMZBBRYSA-N 0 3 320.234 2.457 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1Cc2ccccc2CN1CCC ZINC001327505780 1148572072 /nfs/dbraw/zinc/57/20/72/1148572072.db2.gz DZCRDHMMBUSXGR-IEBWSBKVSA-N 0 3 316.445 2.267 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001327509684 1148573553 /nfs/dbraw/zinc/57/35/53/1148573553.db2.gz XJKYJXMPJVTIIA-IBGZPJMESA-N 0 3 308.425 2.353 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ncc(C)o1 ZINC000835056457 649872722 /nfs/dbraw/zinc/87/27/22/649872722.db2.gz JJXLMAHDBWEFGK-ZDUSSCGKSA-N 0 3 305.378 2.321 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CCOC)CCC1)C2 ZINC001327542634 1148583131 /nfs/dbraw/zinc/58/31/31/1148583131.db2.gz XZNKJIKOZHMKFD-GOSISDBHSA-N 0 3 318.461 2.141 20 30 DEEDHN CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077100 649876046 /nfs/dbraw/zinc/87/60/46/649876046.db2.gz OKFWOCNHTYARCG-MQIPJXDCSA-N 0 3 314.341 2.446 20 30 DEEDHN C=CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000735419595 598982040 /nfs/dbraw/zinc/98/20/40/598982040.db2.gz XEAOCQHDIXNIOA-UHFFFAOYSA-N 0 3 317.393 2.151 20 30 DEEDHN C=CC[N@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000735419595 598982042 /nfs/dbraw/zinc/98/20/42/598982042.db2.gz XEAOCQHDIXNIOA-UHFFFAOYSA-N 0 3 317.393 2.151 20 30 DEEDHN C=CC[N@@H+](CCOc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000735419595 598982044 /nfs/dbraw/zinc/98/20/44/598982044.db2.gz XEAOCQHDIXNIOA-UHFFFAOYSA-N 0 3 317.393 2.151 20 30 DEEDHN C=CC[N@H+](CCOc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000735419595 598982045 /nfs/dbraw/zinc/98/20/45/598982045.db2.gz XEAOCQHDIXNIOA-UHFFFAOYSA-N 0 3 317.393 2.151 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC000835338929 649908095 /nfs/dbraw/zinc/90/80/95/649908095.db2.gz BQAOIQLGUQRELG-FVQBIDKESA-N 0 3 312.369 2.001 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835341180 649908512 /nfs/dbraw/zinc/90/85/12/649908512.db2.gz SGDXLLLNMHTHCA-KBPBESRZSA-N 0 3 322.792 2.480 20 30 DEEDHN CC(CCCC[NH+](C)C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824400219 609277746 /nfs/dbraw/zinc/27/77/46/609277746.db2.gz CJMRAFNEGFFPNK-UHFFFAOYSA-N 0 3 315.425 2.064 20 30 DEEDHN CC(CCCC[NH+](C)C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824400219 609277748 /nfs/dbraw/zinc/27/77/48/609277748.db2.gz CJMRAFNEGFFPNK-UHFFFAOYSA-N 0 3 315.425 2.064 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)CCC2(C)CC2)CC1 ZINC001381156465 1152928778 /nfs/dbraw/zinc/92/87/78/1152928778.db2.gz KCFLCJGIWCLFHG-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN CC[C@H](F)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001382113714 1153361477 /nfs/dbraw/zinc/36/14/77/1153361477.db2.gz BLHUHAISLQLGRZ-RISCZKNCSA-N 0 3 309.360 2.382 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(F)cn1 ZINC001025224412 625281710 /nfs/dbraw/zinc/28/17/10/625281710.db2.gz PLRNRHUKJQQIAJ-SJORKVTESA-N 0 3 315.392 2.313 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001023488173 625293272 /nfs/dbraw/zinc/29/32/72/625293272.db2.gz XVALAOHQMCCLCM-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001023518971 625307060 /nfs/dbraw/zinc/30/70/60/625307060.db2.gz YTYSRZXEHMGEDX-SNVBAGLBSA-N 0 3 314.216 2.397 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001023517984 625307713 /nfs/dbraw/zinc/30/77/13/625307713.db2.gz JPYCTBYPOUMHOV-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c(C)n[nH]c1C ZINC001025276210 625321044 /nfs/dbraw/zinc/32/10/44/625321044.db2.gz HHWOIQHIWVDICL-CVEARBPZSA-N 0 3 314.433 2.119 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cccc1 ZINC001025279527 625322988 /nfs/dbraw/zinc/32/29/88/625322988.db2.gz CZPIZEGJUYUXKR-ROUUACIJSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCCCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000159164029 625334498 /nfs/dbraw/zinc/33/44/98/625334498.db2.gz UBKAOQLTNSNLDB-QGZVFWFLSA-N 0 3 301.434 2.262 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001023630878 625363371 /nfs/dbraw/zinc/36/33/71/625363371.db2.gz PJSFICDOJSGEGX-CYBMUJFWSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2sc(CC)nc2C)C1 ZINC001023646632 625371405 /nfs/dbraw/zinc/37/14/05/625371405.db2.gz PCLJDDUICLTSLU-AWEZNQCLSA-N 0 3 319.474 2.479 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)n2C)C1 ZINC001025345331 625371783 /nfs/dbraw/zinc/37/17/83/625371783.db2.gz IWGSMVKXICAKFF-JKSUJKDBSA-N 0 3 301.434 2.187 20 30 DEEDHN CNC(=S)N(C)N=C1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000841646958 625383049 /nfs/dbraw/zinc/38/30/49/625383049.db2.gz CDINMVAVAYAKLM-CYBMUJFWSA-N 0 3 304.463 2.463 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001023676678 625383744 /nfs/dbraw/zinc/38/37/44/625383744.db2.gz PXJLISOCUDIDRS-HNNXBMFYSA-N 0 3 315.417 2.092 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001023739426 625415853 /nfs/dbraw/zinc/41/58/53/625415853.db2.gz QNBCUFROWXQBIJ-CYBMUJFWSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccnn2C(C)C)C1 ZINC001025428097 625427486 /nfs/dbraw/zinc/42/74/86/625427486.db2.gz KTLDUFWMKCDVNG-JKSUJKDBSA-N 0 3 316.449 2.318 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001007635894 625430260 /nfs/dbraw/zinc/43/02/60/625430260.db2.gz JWBDCOWJKUROTM-LSDHHAIUSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(F)ccc2F)C1 ZINC001025442886 625437773 /nfs/dbraw/zinc/43/77/73/625437773.db2.gz OSBBYULGDOOXRC-OLZOCXBDSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2[nH]c(C)cc2C)C1 ZINC001025457024 625449340 /nfs/dbraw/zinc/44/93/40/625449340.db2.gz AFKBYRSRFMMQOF-CVEARBPZSA-N 0 3 301.434 2.485 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3cnccc3o2)C1 ZINC001025472200 625463588 /nfs/dbraw/zinc/46/35/88/625463588.db2.gz ODFZYLDYWKNKHV-KBPBESRZSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)ccc2OC)C1 ZINC001025480301 625473553 /nfs/dbraw/zinc/47/35/53/625473553.db2.gz SQPGCZNIHGMOOR-CVEARBPZSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC001025482179 625475068 /nfs/dbraw/zinc/47/50/68/625475068.db2.gz NDIDRBDFVHCFEE-CVEARBPZSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nc(C)n3ccccc23)C1 ZINC001025489525 625480362 /nfs/dbraw/zinc/48/03/62/625480362.db2.gz NZOXHYQPFUOZRA-ZBFHGGJFSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2occ3c2CCC3)C1 ZINC001025493550 625484677 /nfs/dbraw/zinc/48/46/77/625484677.db2.gz PDOXDYRNTCDOPV-KBPBESRZSA-N 0 3 300.402 2.232 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC001025515732 625495601 /nfs/dbraw/zinc/49/56/01/625495601.db2.gz MUCISGZLPHDBOA-HUUCEWRRSA-N 0 3 301.434 2.431 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001025527904 625505353 /nfs/dbraw/zinc/50/53/53/625505353.db2.gz NLMQTIXZXLUYGG-NEPJUHHUSA-N 0 3 324.375 2.201 20 30 DEEDHN N#CC(C(=O)CCS(=O)(=O)C1CCCC1)c1ccccn1 ZINC000049458144 622567777 /nfs/dbraw/zinc/56/77/77/622567777.db2.gz GDTYKNVOFDEXAR-ZDUSSCGKSA-N 0 3 306.387 2.005 20 30 DEEDHN N#CC(C(=O)CCS(=O)(=O)C1CCCC1)c1ccccn1 ZINC000049458142 622568034 /nfs/dbraw/zinc/56/80/34/622568034.db2.gz GDTYKNVOFDEXAR-CYBMUJFWSA-N 0 3 306.387 2.005 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nc(C)oc2C)C1 ZINC001025574038 625578593 /nfs/dbraw/zinc/57/85/93/625578593.db2.gz QFOYQSUZHILTMP-DOMZBBRYSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1csc(COC)n1 ZINC000969164986 622599249 /nfs/dbraw/zinc/59/92/49/622599249.db2.gz PQOVTPUNNXVLKA-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000969194839 622616555 /nfs/dbraw/zinc/61/65/55/622616555.db2.gz JPVOHLOPEQMFNL-LLVKDONJSA-N 0 3 301.777 2.259 20 30 DEEDHN C=CC[C@H]1CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000890557929 622659851 /nfs/dbraw/zinc/65/98/51/622659851.db2.gz JEUFDKOQZGCUBE-SFHVURJKSA-N 0 3 313.445 2.376 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)OCC2CC2)c1 ZINC000120249092 622683379 /nfs/dbraw/zinc/68/33/79/622683379.db2.gz AOFABCCAVQDKHS-XHDPSFHLSA-N 0 3 316.357 2.158 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(CC3CC3)n2)C1 ZINC001025582087 625591043 /nfs/dbraw/zinc/59/10/43/625591043.db2.gz OENPMPNZUGOGKA-HIFRSBDPSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001025586158 625598383 /nfs/dbraw/zinc/59/83/83/625598383.db2.gz WPYJJKGPCQGBCR-DZGCQCFKSA-N 0 3 314.433 2.141 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3ccoc3)CC2)C1 ZINC000949298458 622897558 /nfs/dbraw/zinc/89/75/58/622897558.db2.gz JMLIOABREACJAZ-UHFFFAOYSA-N 0 3 304.390 2.163 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001025592590 625606297 /nfs/dbraw/zinc/60/62/97/625606297.db2.gz QAZOVVZIJRXZOI-HOCLYGCPSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3c(o2)CCCC3)C1 ZINC000969825796 622936097 /nfs/dbraw/zinc/93/60/97/622936097.db2.gz OKDVNMLPVZQDHK-ZDUSSCGKSA-N 0 3 300.402 2.232 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3cn(C)nc3C)C2)CC1 ZINC000969829980 622937874 /nfs/dbraw/zinc/93/78/74/622937874.db2.gz BCIARUOITHAQTO-QGZVFWFLSA-N 0 3 316.449 2.165 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2conc2C2CCCC2)C1 ZINC000969831809 622938945 /nfs/dbraw/zinc/93/89/45/622938945.db2.gz ZXVVKYJIKMLTSP-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3ccncc3s2)C1 ZINC000969846345 622949808 /nfs/dbraw/zinc/94/98/08/622949808.db2.gz UGIBYJYYBLJESY-GFCCVEGCSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cncc(F)c3)C2)C1 ZINC000969878965 622971268 /nfs/dbraw/zinc/97/12/68/622971268.db2.gz SESOQBGBBYXDPG-OAHLLOKOSA-N 0 3 303.381 2.268 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001025591671 625610511 /nfs/dbraw/zinc/61/05/11/625610511.db2.gz GBGRHJYHIBYHQM-ZBFHGGJFSA-N 0 3 316.449 2.236 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001026648368 625616479 /nfs/dbraw/zinc/61/64/79/625616479.db2.gz SNLKZDJJRQMRKA-HNNXBMFYSA-N 0 3 320.396 2.205 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892800781 625620351 /nfs/dbraw/zinc/62/03/51/625620351.db2.gz PFUUWLQAHHZZGW-SJLPKXTDSA-N 0 3 312.417 2.036 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2nc(Cl)sc2C)C1 ZINC000970124807 623149094 /nfs/dbraw/zinc/14/90/94/623149094.db2.gz NFRCSOBUXIKIIA-SECBINFHSA-N 0 3 311.838 2.178 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(OC)cc2)C1 ZINC001025606839 625629776 /nfs/dbraw/zinc/62/97/76/625629776.db2.gz GHBNUGVFOCYJPC-GOEBONIOSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001020956027 623207862 /nfs/dbraw/zinc/20/78/62/623207862.db2.gz WONXEACBTWSEOM-XYPYZODXSA-N 0 3 300.189 2.338 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001020969625 623224349 /nfs/dbraw/zinc/22/43/49/623224349.db2.gz PGCLSRRXZKSGNG-SHTZXODSSA-N 0 3 321.808 2.248 20 30 DEEDHN C=CCCCN(CC)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000890809404 623271870 /nfs/dbraw/zinc/27/18/70/623271870.db2.gz UAPAWLYUFLEHRD-DLBZAZTESA-N 0 3 318.465 2.270 20 30 DEEDHN C=CCCCN(CC)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000890809406 623272042 /nfs/dbraw/zinc/27/20/42/623272042.db2.gz UAPAWLYUFLEHRD-IAGOWNOFSA-N 0 3 318.465 2.270 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001021070914 623331024 /nfs/dbraw/zinc/33/10/24/623331024.db2.gz UDPHCBCNVLRGOL-OBJOEFQTSA-N 0 3 324.783 2.119 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000970241153 623351417 /nfs/dbraw/zinc/35/14/17/623351417.db2.gz CWFKPKQEPPITMN-PMPSAXMXSA-N 0 3 320.458 2.420 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC001025615638 625651737 /nfs/dbraw/zinc/65/17/37/625651737.db2.gz WQVPRMAPMIOVKS-CABCVRRESA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000970510044 623490344 /nfs/dbraw/zinc/49/03/44/623490344.db2.gz WZZSNAYCYXLKKN-AWEZNQCLSA-N 0 3 322.412 2.150 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(-c3cccs3)o2)C1 ZINC000970612187 623574309 /nfs/dbraw/zinc/57/43/09/623574309.db2.gz QALOIYSMUYWBJS-GFCCVEGCSA-N 0 3 300.383 2.445 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)nc2OCC)C1 ZINC000970669787 623605763 /nfs/dbraw/zinc/60/57/63/623605763.db2.gz ZDGQVVXNSUDGQP-CQSZACIVSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(-n3cccc3)ccn2)C1 ZINC000970709936 623633835 /nfs/dbraw/zinc/63/38/35/623633835.db2.gz FJQLTXSFHLCLGS-HNNXBMFYSA-N 0 3 324.428 2.499 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000970713866 623636840 /nfs/dbraw/zinc/63/68/40/623636840.db2.gz LOFNUQSMLJQXTR-GFCCVEGCSA-N 0 3 304.438 2.468 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000970713866 623636841 /nfs/dbraw/zinc/63/68/41/623636841.db2.gz LOFNUQSMLJQXTR-GFCCVEGCSA-N 0 3 304.438 2.468 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC000970716157 623638398 /nfs/dbraw/zinc/63/83/98/623638398.db2.gz OCAGTXZBCXHLFS-KBPBESRZSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ncsc2C(C)C)C1 ZINC000970730499 623646770 /nfs/dbraw/zinc/64/67/70/623646770.db2.gz GYIGHBAUGMIVGT-GFCCVEGCSA-N 0 3 305.447 2.340 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(OC)cc(OC)c2)C1 ZINC000970793904 623684641 /nfs/dbraw/zinc/68/46/41/623684641.db2.gz CXMYYBVOTYQAQW-ZDUSSCGKSA-N 0 3 318.417 2.330 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC000970816457 623708227 /nfs/dbraw/zinc/70/82/27/623708227.db2.gz LXBRLEOORFBLHQ-KBPBESRZSA-N 0 3 316.449 2.092 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3(C4CC4)CC3)CC2)C1 ZINC000949391596 623742861 /nfs/dbraw/zinc/74/28/61/623742861.db2.gz LPJOEEDNKIGEHN-UHFFFAOYSA-N 0 3 318.461 2.446 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC001021585654 623790277 /nfs/dbraw/zinc/79/02/77/623790277.db2.gz VNEKNECCFUIJSW-MOPGFXCFSA-N 0 3 323.440 2.308 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254966 623801278 /nfs/dbraw/zinc/80/12/78/623801278.db2.gz LFHKIOPOTVFNLV-KRWDZBQOSA-N 0 3 319.449 2.064 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccn2CC=C)C1 ZINC001021605099 623817182 /nfs/dbraw/zinc/81/71/82/623817182.db2.gz KBWMULYXXVTHBN-IAGOWNOFSA-N 0 3 311.429 2.234 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CC)n2)C1 ZINC001021605214 623822408 /nfs/dbraw/zinc/82/24/08/623822408.db2.gz LJZBBFBLVHUNMY-QAPCUYQASA-N 0 3 311.429 2.204 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970950787 623826829 /nfs/dbraw/zinc/82/68/29/623826829.db2.gz PCJOYBOMBHTOGK-CQSZACIVSA-N 0 3 307.344 2.246 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001021612720 623831037 /nfs/dbraw/zinc/83/10/37/623831037.db2.gz DUGYYXHMBDAABU-KSSFIOAISA-N 0 3 322.412 2.123 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000970953839 623832887 /nfs/dbraw/zinc/83/28/87/623832887.db2.gz HXUMMJNLRLSQKA-QGZVFWFLSA-N 0 3 320.396 2.300 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3cnccc3o2)C1 ZINC001021621484 623844909 /nfs/dbraw/zinc/84/49/09/623844909.db2.gz BIWBAJYZWMSRTN-GOEBONIOSA-N 0 3 323.396 2.388 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC000970977666 623867214 /nfs/dbraw/zinc/86/72/14/623867214.db2.gz HTEHLMFFRRQYDV-ZDUSSCGKSA-N 0 3 316.449 2.400 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000970987265 623886773 /nfs/dbraw/zinc/88/67/73/623886773.db2.gz BTKFNQRHVPNQFM-NSHDSACASA-N 0 3 315.373 2.160 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(Cl)cs2)C1 ZINC001021654547 623908623 /nfs/dbraw/zinc/90/86/23/623908623.db2.gz FUHRPYSYKPIHNC-VXGBXAGGSA-N 0 3 323.849 2.356 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2C2CC2)C1 ZINC001021657894 623912224 /nfs/dbraw/zinc/91/22/24/623912224.db2.gz JAPOPPSZNPZQPL-RDJZCZTQSA-N 0 3 311.429 2.452 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3c2OCC3)C1 ZINC001021673448 623936370 /nfs/dbraw/zinc/93/63/70/623936370.db2.gz IFQBYIPQCKPSEB-SJLPKXTDSA-N 0 3 324.424 2.181 20 30 DEEDHN C#CCOc1ccc(C(=O)NCCN2CCC(C)CC2)cc1 ZINC000160550218 623942271 /nfs/dbraw/zinc/94/22/71/623942271.db2.gz DQOJEJOUEVVKDH-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2coc(C3CC3)n2)C1 ZINC001021685485 623956166 /nfs/dbraw/zinc/95/61/66/623956166.db2.gz RNPXFTMQRUXRER-GOEBONIOSA-N 0 3 313.401 2.112 20 30 DEEDHN Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3cccc(C#N)c3)C2)on1 ZINC000971069601 623971187 /nfs/dbraw/zinc/97/11/87/623971187.db2.gz UKLUFHFQAYRXGZ-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccnc(C)c2)C1 ZINC001021694052 623972770 /nfs/dbraw/zinc/97/27/70/623972770.db2.gz TYQAIKWIFZGYKE-ZWKOTPCHSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccco2)C1 ZINC001021697816 623978160 /nfs/dbraw/zinc/97/81/60/623978160.db2.gz VOVQSZQIYPRORE-DOTOQJQBSA-N 0 3 300.402 2.158 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C)nc2C)C1 ZINC001021737118 624019312 /nfs/dbraw/zinc/01/93/12/624019312.db2.gz RQWQKBUKKQCCIL-AEFFLSMTSA-N 0 3 311.429 2.258 20 30 DEEDHN CCCc1nc(CNC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001026733569 625702034 /nfs/dbraw/zinc/70/20/34/625702034.db2.gz WOQBVDYKMPGYGX-QWHCGFSZSA-N 0 3 320.462 2.193 20 30 DEEDHN CCOc1cc(C=NNC(=N)N)ccc1OCc1ccccc1 ZINC000253676425 624132767 /nfs/dbraw/zinc/13/27/67/624132767.db2.gz FDACJEPIFBUJMU-UHFFFAOYSA-N 0 3 312.373 2.272 20 30 DEEDHN Cc1nc(C#N)cc(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000308191109 624152302 /nfs/dbraw/zinc/15/23/02/624152302.db2.gz NZBPHCPZWISECU-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514420 624179243 /nfs/dbraw/zinc/17/92/43/624179243.db2.gz UXDIFXMUXCXVCY-SFHVURJKSA-N 0 3 307.397 2.004 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000971625970 624200642 /nfs/dbraw/zinc/20/06/42/624200642.db2.gz RUIWOPHSXFMBEQ-HNNXBMFYSA-N 0 3 302.422 2.331 20 30 DEEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC001024324544 625709203 /nfs/dbraw/zinc/70/92/03/625709203.db2.gz YUSMLRHJKOXPRD-CYBMUJFWSA-N 0 3 308.451 2.397 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC000971645703 624471337 /nfs/dbraw/zinc/47/13/37/624471337.db2.gz USMZCJDLWJCQCH-QAPCUYQASA-N 0 3 314.429 2.444 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)ncn3C)C[C@H]1C ZINC000947463277 624520228 /nfs/dbraw/zinc/52/02/28/624520228.db2.gz DYKOEKAWOBIGIW-ZBFHGGJFSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1c2ccccc2NC1(C)C ZINC000891921754 624663283 /nfs/dbraw/zinc/66/32/83/624663283.db2.gz UPNBJRBVLRHDTQ-MRXNPFEDSA-N 0 3 314.433 2.186 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001022442089 624665104 /nfs/dbraw/zinc/66/51/04/624665104.db2.gz GJGVTFKWANTTJN-BETUJISGSA-N 0 3 316.792 2.233 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001022494953 624697744 /nfs/dbraw/zinc/69/77/44/624697744.db2.gz SOWMNKLJNPPIEE-OKILXGFUSA-N 0 3 312.841 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001022522508 624708150 /nfs/dbraw/zinc/70/81/50/624708150.db2.gz RPXXOCOCWBMCQU-PHIMTYICSA-N 0 3 304.781 2.166 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001027660798 634405268 /nfs/dbraw/zinc/40/52/68/634405268.db2.gz ATCUTQITKBCWHU-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001027660797 634405414 /nfs/dbraw/zinc/40/54/14/634405414.db2.gz ATCUTQITKBCWHU-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001022583832 624758154 /nfs/dbraw/zinc/75/81/54/624758154.db2.gz OGONBGHTDRGWLL-ZNMIVQPWSA-N 0 3 319.836 2.491 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC000972039515 624789605 /nfs/dbraw/zinc/78/96/05/624789605.db2.gz IMQSKHSJJQBZLC-HNNXBMFYSA-N 0 3 315.417 2.002 20 30 DEEDHN C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001022658073 624799583 /nfs/dbraw/zinc/79/95/83/624799583.db2.gz VVGWWSBZOAUBSI-CAPXZKIUSA-N 0 3 315.392 2.480 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3n[nH]c(CC)n3)C2)C1 ZINC001022680747 624824556 /nfs/dbraw/zinc/82/45/56/624824556.db2.gz NPRCWKZNRLBELU-RWMBFGLXSA-N 0 3 317.437 2.021 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2COC)C[C@H]1C ZINC000947492320 624846123 /nfs/dbraw/zinc/84/61/23/624846123.db2.gz IYBWEFCHJXLARL-ZBFHGGJFSA-N 0 3 300.402 2.049 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2C1 ZINC000978764625 634415622 /nfs/dbraw/zinc/41/56/22/634415622.db2.gz AEYXCAKMCNHFIN-XYYAHUGASA-N 0 3 306.768 2.020 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC001022733716 624880787 /nfs/dbraw/zinc/88/07/87/624880787.db2.gz UPJUVYREJZEHJL-PHIMTYICSA-N 0 3 304.781 2.166 20 30 DEEDHN C=CC[C@@H]1CCN1C[C@H](O)COc1c(OC)cccc1OC ZINC000934469306 624885580 /nfs/dbraw/zinc/88/55/80/624885580.db2.gz SFOMDEGUUSTCDY-KGLIPLIRSA-N 0 3 307.390 2.094 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncc3[nH]ccc32)C[C@@H]1C ZINC000947502838 624896371 /nfs/dbraw/zinc/89/63/71/624896371.db2.gz VWYZXQOUDGOPFV-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC34CC4)C2)c(F)c1 ZINC001022766848 624904996 /nfs/dbraw/zinc/90/49/96/624904996.db2.gz IUVJBHVKEOOCGA-QLFBSQMISA-N 0 3 313.376 2.234 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(F)c(COC)c2)C1 ZINC000972295760 624918191 /nfs/dbraw/zinc/91/81/91/624918191.db2.gz JIJSJRWFRCODMC-HNNXBMFYSA-N 0 3 306.381 2.304 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c2ccccc2nn1C ZINC001024744841 625026651 /nfs/dbraw/zinc/02/66/51/625026651.db2.gz HIPPMWZXBOSFGL-OAHLLOKOSA-N 0 3 324.428 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001020260637 625058779 /nfs/dbraw/zinc/05/87/79/625058779.db2.gz HRCGFBZVUWGLHQ-HAQNSBGRSA-N 0 3 304.781 2.166 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001024800059 625060857 /nfs/dbraw/zinc/06/08/57/625060857.db2.gz VQUIFYKCGYBMBK-OAHLLOKOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(=O)[nH]c1C ZINC001024807131 625063881 /nfs/dbraw/zinc/06/38/81/625063881.db2.gz AAPIPIVPGHKSAJ-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3csc(C(C)C)n3)[C@@H]2C1 ZINC000978848899 634438163 /nfs/dbraw/zinc/43/81/63/634438163.db2.gz VVEBJNIXYKCYES-ZSOGYDGISA-N 0 3 317.458 2.197 20 30 DEEDHN C[C@H]1C[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026007868 625111368 /nfs/dbraw/zinc/11/13/68/625111368.db2.gz KPSIYCRQDVSIAI-LPNZSRGHSA-N 0 3 309.413 2.151 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001022959730 625118619 /nfs/dbraw/zinc/11/86/19/625118619.db2.gz KOGCMUCHAFRSFX-PHIMTYICSA-N 0 3 310.829 2.310 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 ZINC001027679581 634435863 /nfs/dbraw/zinc/43/58/63/634435863.db2.gz ZJVOALFXQACUCT-INIZCTEOSA-N 0 3 302.393 2.314 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001027682211 634436494 /nfs/dbraw/zinc/43/64/94/634436494.db2.gz MEFWQSGGAHQWLG-DLBZAZTESA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC000972500621 625140935 /nfs/dbraw/zinc/14/09/35/625140935.db2.gz LFIRXVKNQPZEKI-CVEARBPZSA-N 0 3 314.429 2.444 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC000972500624 625141032 /nfs/dbraw/zinc/14/10/32/625141032.db2.gz LFIRXVKNQPZEKI-HZPDHXFCSA-N 0 3 314.429 2.444 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC000972500623 625141117 /nfs/dbraw/zinc/14/11/17/625141117.db2.gz LFIRXVKNQPZEKI-HOTGVXAUSA-N 0 3 314.429 2.444 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001023049289 625145088 /nfs/dbraw/zinc/14/50/88/625145088.db2.gz OFXYXJNCFPEYFZ-OKILXGFUSA-N 0 3 308.809 2.227 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001026132196 625146311 /nfs/dbraw/zinc/14/63/11/625146311.db2.gz IOZBJEFFLAANDU-MEAOTZBNSA-N 0 3 308.425 2.123 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1C ZINC000947539556 625152797 /nfs/dbraw/zinc/15/27/97/625152797.db2.gz CLOMSBDYIBUMEL-NEPJUHHUSA-N 0 3 315.373 2.302 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001025039466 625155968 /nfs/dbraw/zinc/15/59/68/625155968.db2.gz NWCVSEOJILXTQJ-CQSZACIVSA-N 0 3 319.453 2.186 20 30 DEEDHN C#Cc1ccc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000934932102 625162535 /nfs/dbraw/zinc/16/25/35/625162535.db2.gz CJEBCVQKPORWJT-LSDHHAIUSA-N 0 3 303.431 2.177 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000978852853 634439218 /nfs/dbraw/zinc/43/92/18/634439218.db2.gz GYDPKWSDCQAVNU-QKDCVEJESA-N 0 3 304.340 2.165 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C2OCCO2)C1 ZINC000178940724 625188574 /nfs/dbraw/zinc/18/85/74/625188574.db2.gz SKKXPKYZBBRRQX-AWEZNQCLSA-N 0 3 302.374 2.152 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000930575264 625203336 /nfs/dbraw/zinc/20/33/36/625203336.db2.gz DZKRRDMXJLDPMW-UHFFFAOYSA-N 0 3 301.390 2.274 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001023368136 625240821 /nfs/dbraw/zinc/24/08/21/625240821.db2.gz HNZGYKKTDCMDDL-HNNXBMFYSA-N 0 3 315.417 2.011 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000972557200 625243008 /nfs/dbraw/zinc/24/30/08/625243008.db2.gz CUIACKNEPXPDOI-CZUORRHYSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001023403082 625254878 /nfs/dbraw/zinc/25/48/78/625254878.db2.gz CNYXQYGTZQVAAZ-HNNXBMFYSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2nccc3cccnc32)C1 ZINC001023420312 625260812 /nfs/dbraw/zinc/26/08/12/625260812.db2.gz FOLLUUQCSGFZIH-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(CC)n[nH]1 ZINC001025205434 625261811 /nfs/dbraw/zinc/26/18/11/625261811.db2.gz VGAQTRDYQJORQB-SJORKVTESA-N 0 3 314.433 2.064 20 30 DEEDHN 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322.748 2.175 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2C1 ZINC000978984038 634473569 /nfs/dbraw/zinc/47/35/69/634473569.db2.gz FSWTUXCGNJIHDQ-CNDDSTCGSA-N 0 3 306.768 2.020 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4cnccc43)[C@@H]2C1 ZINC000979068314 634494465 /nfs/dbraw/zinc/49/44/65/634494465.db2.gz FXPKUVYUIINNQQ-LDLYASANSA-N 0 3 319.408 2.166 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cnc(C(C)C)s3)[C@@H]2C1 ZINC000979118402 634507358 /nfs/dbraw/zinc/50/73/58/634507358.db2.gz UJNUHQRCQNCYKW-ZSOGYDGISA-N 0 3 317.458 2.197 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)NCc2cncs2)C1 ZINC000979372296 634597320 /nfs/dbraw/zinc/59/73/20/634597320.db2.gz HBMJFMWZPUJODJ-OCCSQVGLSA-N 0 3 323.462 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC000999895049 634694225 /nfs/dbraw/zinc/69/42/25/634694225.db2.gz VPWFWLWMDNWOJO-QWHCGFSZSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]cc3C)C[C@H]2C1 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C[C@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001027330180 633658024 /nfs/dbraw/zinc/65/80/24/633658024.db2.gz KUQKAMRTZTVHNJ-CJNGLKHVSA-N 0 3 303.381 2.408 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(c3ccccc3F)CCC2)C1 ZINC001015983574 633686387 /nfs/dbraw/zinc/68/63/87/633686387.db2.gz LMFLQCWFPVSPHE-OAHLLOKOSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001027410951 633748964 /nfs/dbraw/zinc/74/89/64/633748964.db2.gz IYPZLLMKYWQSID-OLZOCXBDSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001027410166 633749215 /nfs/dbraw/zinc/74/92/15/633749215.db2.gz UMBOOOPRQACFGW-OAHLLOKOSA-N 0 3 316.449 2.116 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OCC#C)cc2)C(C)(C)C1 ZINC000977273808 633904009 /nfs/dbraw/zinc/90/40/09/633904009.db2.gz PTFKMJNXXSRYQN-GOSISDBHSA-N 0 3 324.424 2.162 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2onc(C)c2C)CC1 ZINC000997634063 633904718 /nfs/dbraw/zinc/90/47/18/633904718.db2.gz VIMOQUKWVUPUNJ-AWEZNQCLSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H](C)C1 ZINC000946310943 633956528 /nfs/dbraw/zinc/95/65/28/633956528.db2.gz HMYLRQGLZNIPLV-DZGCQCFKSA-N 0 3 304.438 2.399 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C(C)(C)C1 ZINC000977468068 634001849 /nfs/dbraw/zinc/00/18/49/634001849.db2.gz YCWBCHSXNKEJHO-CQSZACIVSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C(C)(C)C1 ZINC000977468068 634001854 /nfs/dbraw/zinc/00/18/54/634001854.db2.gz YCWBCHSXNKEJHO-CQSZACIVSA-N 0 3 316.449 2.305 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2=COCCC2)CC1 ZINC000997952444 634073980 /nfs/dbraw/zinc/07/39/80/634073980.db2.gz CNOBEXMMMBEGNN-KRWDZBQOSA-N 0 3 304.434 2.407 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cncnc2C(C)C)C(C)(C)C1 ZINC000977618678 634074097 /nfs/dbraw/zinc/07/40/97/634074097.db2.gz JTBFZYJTYJWUPE-HNNXBMFYSA-N 0 3 314.433 2.064 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000997957176 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RTNZMYBLQSCWCK-FZMZJTMJSA-N 0 3 317.458 2.230 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC000989707318 641203591 /nfs/dbraw/zinc/20/35/91/641203591.db2.gz LIKNTUFREPLZLT-IUCAKERBSA-N 0 3 314.282 2.069 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc3ccc(F)cc23)C1 ZINC000989726893 641211780 /nfs/dbraw/zinc/21/17/80/641211780.db2.gz QFBZEYJBNHQRMP-WCQYABFASA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(OC(C)C)cc2)C1 ZINC000989815443 641239230 /nfs/dbraw/zinc/23/92/30/641239230.db2.gz DVRTVCNLGRMRMH-NVXWUHKLSA-N 0 3 314.429 2.229 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3c(C)noc3C)CCC[C@@H]12 ZINC000989944770 641300429 /nfs/dbraw/zinc/30/04/29/641300429.db2.gz FVHBDKZTXFCBTH-PBHICJAKSA-N 0 3 301.390 2.042 20 30 DEEDHN C=CC(C)(C)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000898461074 641668276 /nfs/dbraw/zinc/66/82/76/641668276.db2.gz ZJAQHQJLHZVBJY-UHFFFAOYSA-N 0 3 308.334 2.201 20 30 DEEDHN COCC(C)(C)NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000772741095 641683405 /nfs/dbraw/zinc/68/34/05/641683405.db2.gz NACPAHHJXPUYHF-ZDUSSCGKSA-N 0 3 324.384 2.238 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3CCCO[C@H]3C=C)CCC[C@@H]12 ZINC000990739549 641841676 /nfs/dbraw/zinc/84/16/76/641841676.db2.gz IZSHSSNWGYABGF-HPFXQQBRSA-N 0 3 304.434 2.267 20 30 DEEDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)CCC#N ZINC000774482754 641908818 /nfs/dbraw/zinc/90/88/18/641908818.db2.gz MOPONWRBIZHWBL-KBPBESRZSA-N 0 3 302.422 2.164 20 30 DEEDHN CCCN(C)CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F ZINC000899095843 641930253 /nfs/dbraw/zinc/93/02/53/641930253.db2.gz NNBABGQBSRGHCX-UHFFFAOYSA-N 0 3 312.229 2.277 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@H]2CNC(=O)C2)c([O-])c1 ZINC000899226024 642002533 /nfs/dbraw/zinc/00/25/33/642002533.db2.gz IZZSXDLVAWEVGQ-RNEAKCBISA-N 0 3 303.406 2.184 20 30 DEEDHN CC(C)[C@H](NCc1ccc(OCC#N)cc1)C(=O)N1CCCC1 ZINC000775425505 642043009 /nfs/dbraw/zinc/04/30/09/642043009.db2.gz ZKQGCJAFRWTJRM-KRWDZBQOSA-N 0 3 315.417 2.326 20 30 DEEDHN C#C[C@H](NCCCc1nc(-c2ccccc2)no1)[C@H]1CCCO1 ZINC000775785524 642094663 /nfs/dbraw/zinc/09/46/63/642094663.db2.gz PHUJLTHQXAXPFS-JKSUJKDBSA-N 0 3 311.385 2.440 20 30 DEEDHN C#CCN(C(=S)N[C@@H]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000899613449 642119970 /nfs/dbraw/zinc/11/99/70/642119970.db2.gz BNSXCDFMOCXDPA-GOEBONIOSA-N 0 3 307.507 2.469 20 30 DEEDHN C#CCN(C(=S)Nc1cccc(C#C)c1)C1CCN(C)CC1 ZINC000899614070 642123582 /nfs/dbraw/zinc/12/35/82/642123582.db2.gz VXVPOIZDCZABMK-UHFFFAOYSA-N 0 3 311.454 2.394 20 30 DEEDHN C#Cc1cccc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000779353664 642490868 /nfs/dbraw/zinc/49/08/68/642490868.db2.gz OEWMOWHRYYKULC-CABCVRRESA-N 0 3 303.431 2.177 20 30 DEEDHN C[C@H](O)CN(C)N=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842535373 650762413 /nfs/dbraw/zinc/76/24/13/650762413.db2.gz GANMAAJPJWYHTN-HNNXBMFYSA-N 0 3 301.434 2.484 20 30 DEEDHN C=CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1C)C(C)C ZINC000783394576 643000327 /nfs/dbraw/zinc/00/03/27/643000327.db2.gz MAOUYILQYKFWNT-UHFFFAOYSA-N 0 3 317.433 2.418 20 30 DEEDHN C[C@@H](NCCCN1CCCCCC1=O)c1cc(C#N)ccn1 ZINC000902724932 643121491 /nfs/dbraw/zinc/12/14/91/643121491.db2.gz MANATGBDNTYWPV-CQSZACIVSA-N 0 3 300.406 2.397 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000784490542 643143957 /nfs/dbraw/zinc/14/39/57/643143957.db2.gz GKWVMAYLWLXGAY-CYBMUJFWSA-N 0 3 320.776 2.051 20 30 DEEDHN C[C@@H](NCC(C)(C)[C@]1(O)CCCOC1)c1cc(C#N)ccn1 ZINC000903056262 643232214 /nfs/dbraw/zinc/23/22/14/643232214.db2.gz KDBRHMZQEURXGC-DYVFJYSZSA-N 0 3 303.406 2.172 20 30 DEEDHN C[C@@H](NC[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(C#N)ccn1 ZINC000903093678 643253903 /nfs/dbraw/zinc/25/39/03/643253903.db2.gz KSWYKUKNXFXYHV-GKLJAUDBSA-N 0 3 301.390 2.330 20 30 DEEDHN CC#CCCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785709160 643266661 /nfs/dbraw/zinc/26/66/61/643266661.db2.gz INQBGNFOTSPOLW-UHFFFAOYSA-N 0 3 315.413 2.461 20 30 DEEDHN C[C@@H](NC[C@@]1(c2cnn(C)c2)CCCO1)c1cc(C#N)ccn1 ZINC000903359886 643327296 /nfs/dbraw/zinc/32/72/96/643327296.db2.gz TZFYVFYKKDBANY-CXAGYDPISA-N 0 3 311.389 2.043 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCOCC2)c1 ZINC000786310303 643351485 /nfs/dbraw/zinc/35/14/85/643351485.db2.gz IBNCXXOMIBTPDA-UKRRQHHQSA-N 0 3 300.358 2.459 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CCCOCC2)c1 ZINC000786520251 643378778 /nfs/dbraw/zinc/37/87/78/643378778.db2.gz QYWAWFPIPDVXGE-JKSUJKDBSA-N 0 3 314.385 2.137 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCOC1)C(=O)NCc1cccc(Cl)c1 ZINC000786540035 643381987 /nfs/dbraw/zinc/38/19/87/643381987.db2.gz YEGHNBYJPGSULY-JSGCOSHPSA-N 0 3 320.776 2.092 20 30 DEEDHN CSCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786546152 643382171 /nfs/dbraw/zinc/38/21/71/643382171.db2.gz HKFMIJANICAXNR-AWEZNQCLSA-N 0 3 304.415 2.463 20 30 DEEDHN N=C(N)NN=C(Cc1ccccn1)c1ccc(Cl)cc1F ZINC000787152688 643458883 /nfs/dbraw/zinc/45/88/83/643458883.db2.gz ZDBMPVQDLWHDTP-UHFFFAOYSA-N 0 3 305.744 2.304 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1NCCC#N ZINC000787300578 643478577 /nfs/dbraw/zinc/47/85/77/643478577.db2.gz QWTAJSZOHYAAQX-RRFJBIMHSA-N 0 3 323.437 2.294 20 30 DEEDHN C=CCCC[C@@H]1NC(=O)N(CCN(C)Cc2ccccc2)C1=O ZINC000904152599 643587554 /nfs/dbraw/zinc/58/75/54/643587554.db2.gz UDWAWUIJESBSKL-INIZCTEOSA-N 0 3 315.417 2.395 20 30 DEEDHN COc1ccc(C(C)=NN[C@@H]2CCOC2)cc1CN1CCCC1 ZINC000788452656 643610211 /nfs/dbraw/zinc/61/02/11/643610211.db2.gz QVSHGRBZIVDMBM-QGZVFWFLSA-N 0 3 317.433 2.394 20 30 DEEDHN COC(=O)CCN1CCC(=NN[C@H](C)c2ccccc2)CC1 ZINC000788715469 643638040 /nfs/dbraw/zinc/63/80/40/643638040.db2.gz ZZXCIWSGCDTCOU-CQSZACIVSA-N 0 3 303.406 2.352 20 30 DEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(OC)c1OC ZINC000905079292 643777437 /nfs/dbraw/zinc/77/74/37/643777437.db2.gz AKIKRQTUNMVZAQ-MDXIRLPMSA-N 0 3 315.329 2.145 20 30 DEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(OC)c1OC ZINC000905081519 643778032 /nfs/dbraw/zinc/77/80/32/643778032.db2.gz RSNRWRGIVURFGV-BVBCSLMJSA-N 0 3 315.329 2.145 20 30 DEEDHN COc1cc(OC)c(OC)cc1/C=C1\C(=O)c2ncnn2C1C ZINC000905081232 643778276 /nfs/dbraw/zinc/77/82/76/643778276.db2.gz QAMXXFMHRGNGBE-BVBCSLMJSA-N 0 3 315.329 2.145 20 30 DEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(F)c1OC ZINC000905085615 643779742 /nfs/dbraw/zinc/77/97/42/643779742.db2.gz OSUCGPSYOGGAFH-QMEHYBMDSA-N 0 3 303.293 2.275 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)CC2(O)CCCC2)cc1Cl ZINC000905255258 643840760 /nfs/dbraw/zinc/84/07/60/643840760.db2.gz RWVPMKVNWCXRLH-AWEZNQCLSA-N 0 3 308.809 2.357 20 30 DEEDHN COc1cc(CNC[C@@H](O)CC2(O)CCCCC2)ccc1C#N ZINC000905263324 643843617 /nfs/dbraw/zinc/84/36/17/643843617.db2.gz MUOBVOCCABDUGQ-INIZCTEOSA-N 0 3 318.417 2.103 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)N1CCCCC1 ZINC000792076505 644071118 /nfs/dbraw/zinc/07/11/18/644071118.db2.gz SJGPIDVBRALVST-MAUKXSAKSA-N 0 3 324.428 2.231 20 30 DEEDHN C#CCOc1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1 ZINC000793396443 644245913 /nfs/dbraw/zinc/24/59/13/644245913.db2.gz ZRSAXDWILFWFDB-UHFFFAOYSA-N 0 3 300.402 2.189 20 30 DEEDHN CC(C)(C)C(=O)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000794833321 644481348 /nfs/dbraw/zinc/48/13/48/644481348.db2.gz QOYKGZHTXWRYRQ-AWEZNQCLSA-N 0 3 301.390 2.412 20 30 DEEDHN CCCOc1ccc(C(C)(C)NCC(=O)NCCC#N)cc1 ZINC000796573446 644757167 /nfs/dbraw/zinc/75/71/67/644757167.db2.gz CBOIGTJPYJGGKL-UHFFFAOYSA-N 0 3 303.406 2.330 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1occ2c1CCOC2 ZINC000796790764 644793731 /nfs/dbraw/zinc/79/37/31/644793731.db2.gz VEIWVKHTPXJPCY-CQSZACIVSA-N 0 3 310.309 2.313 20 30 DEEDHN C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(OCC#N)cc1 ZINC000797071329 644834267 /nfs/dbraw/zinc/83/42/67/644834267.db2.gz RKJJDFTYBZJHHZ-OLZOCXBDSA-N 0 3 322.430 2.205 20 30 DEEDHN C=CCCC(=O)[C@H]1CCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000908662155 644950386 /nfs/dbraw/zinc/95/03/86/644950386.db2.gz ZIYUGFYDTWGXLY-MRXNPFEDSA-N 0 3 304.434 2.387 20 30 DEEDHN C#CCCCc1nnc(N2CCN(CC(C)C)CC2)n1CC ZINC000908865185 645011855 /nfs/dbraw/zinc/01/18/55/645011855.db2.gz BAJNGDINCCJXNG-UHFFFAOYSA-N 0 3 303.454 2.032 20 30 DEEDHN C=CCN1CC[C@H](N(C)c2ccnc3cc(OC)ccc32)C1=O ZINC000798405450 645012224 /nfs/dbraw/zinc/01/22/24/645012224.db2.gz ZBGSWPKVKPSXMA-KRWDZBQOSA-N 0 3 311.385 2.467 20 30 DEEDHN C#CCCCc1nnc(N2CCN([C@@H](C)CC)CC2)n1CC ZINC000908878968 645024295 /nfs/dbraw/zinc/02/42/95/645024295.db2.gz MVGABWGPKZEANV-HNNXBMFYSA-N 0 3 303.454 2.174 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799196304 645143660 /nfs/dbraw/zinc/14/36/60/645143660.db2.gz QONIGHRSQLFBLB-SJORKVTESA-N 0 3 323.396 2.182 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000801911359 645460766 /nfs/dbraw/zinc/46/07/66/645460766.db2.gz XZOXICDIUVLWEG-CQSZACIVSA-N 0 3 301.390 2.266 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000801930596 645464408 /nfs/dbraw/zinc/46/44/08/645464408.db2.gz SCJXJONGXFOWCI-CQSZACIVSA-N 0 3 322.453 2.011 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4cccn4cn3)CCC[C@H]12 ZINC000991331686 645718015 /nfs/dbraw/zinc/71/80/15/645718015.db2.gz NSYFIIQURIGKGJ-WMZOPIPTSA-N 0 3 310.401 2.247 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)NC1CCN(C(C)=O)CC1 ZINC000911632967 645766522 /nfs/dbraw/zinc/76/65/22/645766522.db2.gz NEYDHEQHVSOQEW-MRXNPFEDSA-N 0 3 311.470 2.191 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000806832288 645877547 /nfs/dbraw/zinc/87/75/47/645877547.db2.gz NEZDTFQBNAQYCY-HNNXBMFYSA-N 0 3 307.397 2.313 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000912066944 645924381 /nfs/dbraw/zinc/92/43/81/645924381.db2.gz WJZUVDKQGFEDBB-HNNXBMFYSA-N 0 3 301.390 2.436 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000912040902 645925058 /nfs/dbraw/zinc/92/50/58/645925058.db2.gz UCPQTJGKIWLAAG-HNNXBMFYSA-N 0 3 317.433 2.330 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000912082115 645929820 /nfs/dbraw/zinc/92/98/20/645929820.db2.gz DERCQVDHPPMKBL-HNNXBMFYSA-N 0 3 301.390 2.218 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000912114881 645947147 /nfs/dbraw/zinc/94/71/47/645947147.db2.gz KZARKDZOVJFOOE-OAHLLOKOSA-N 0 3 301.390 2.436 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC(=O)OC)c1cccs1 ZINC000912198662 645979019 /nfs/dbraw/zinc/97/90/19/645979019.db2.gz SZFCRBBKAYJPAX-VXGBXAGGSA-N 0 3 310.419 2.152 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1cc(OC)ccc1OC ZINC000912239762 645989609 /nfs/dbraw/zinc/98/96/09/645989609.db2.gz UITFDEAEMFGFAZ-HNNXBMFYSA-N 0 3 306.406 2.046 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913100289 646268257 /nfs/dbraw/zinc/26/82/57/646268257.db2.gz QKZKEGVVMIPOMD-RDJZCZTQSA-N 0 3 302.418 2.216 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000809947325 646302805 /nfs/dbraw/zinc/30/28/05/646302805.db2.gz DTMFMQWTGHVGKS-HXUWFJFHSA-N 0 3 320.436 2.500 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C[C@H]1C ZINC000947314770 646518646 /nfs/dbraw/zinc/51/86/46/646518646.db2.gz HVWPAJOZJVNOTF-CJNGLKHVSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)c3[nH]nc4ccc(C)cc43)CCC[C@H]12 ZINC000991591509 646524788 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C=CCN1CCC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1C ZINC001028262979 688534682 /nfs/dbraw/zinc/53/46/82/688534682.db2.gz HHHMBKSVFQOLHL-HNNXBMFYSA-N 0 3 315.417 2.334 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000871154636 688738042 /nfs/dbraw/zinc/73/80/42/688738042.db2.gz WKGGVFHNBKRQIL-UHFFFAOYSA-N 0 3 300.402 2.255 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000872286622 688974838 /nfs/dbraw/zinc/97/48/38/688974838.db2.gz NFHZEXSSBPBQRM-KBPBESRZSA-N 0 3 300.830 2.407 20 30 DEEDHN C[C@H]1C(N=Nc2cc(CO)ccc2Br)CCN1C ZINC000872385962 688991135 /nfs/dbraw/zinc/99/11/35/688991135.db2.gz VUUKBVXXEPTICS-VIFPVBQESA-N 0 3 312.211 2.433 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2ncsc2C(F)(F)F)C1 ZINC001031846155 689007245 /nfs/dbraw/zinc/00/72/45/689007245.db2.gz PKQBDMOJPPCGNT-UHFFFAOYSA-N 0 3 319.352 2.400 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001031965626 689032918 /nfs/dbraw/zinc/03/29/18/689032918.db2.gz LQZHVNXBWBCFBB-ZIAGYGMSSA-N 0 3 318.367 2.140 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001032065458 689052688 /nfs/dbraw/zinc/05/26/88/689052688.db2.gz FOPWIZVJAVBYDN-UHFFFAOYSA-N 0 3 313.323 2.338 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC001032198536 689081892 /nfs/dbraw/zinc/08/18/92/689081892.db2.gz NRJHXOUREAZSSA-ZBFHGGJFSA-N 0 3 318.367 2.140 20 30 DEEDHN C=CC[NH+]1CCC(NC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000872902613 689116280 /nfs/dbraw/zinc/11/62/80/689116280.db2.gz OWRWNXUFRPNCRC-UHFFFAOYSA-N 0 3 323.824 2.495 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1ccnc1CC ZINC001032413608 689144064 /nfs/dbraw/zinc/14/40/64/689144064.db2.gz MACHNARJHQDHOR-JYJNAYRXSA-N 0 3 316.449 2.258 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cc1F ZINC001032414837 689144209 /nfs/dbraw/zinc/14/42/09/689144209.db2.gz JRFBLPCDAKIYCZ-GJZGRUSLSA-N 0 3 306.356 2.369 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nccn21 ZINC001032445078 689153738 /nfs/dbraw/zinc/15/37/38/689153738.db2.gz UTVVPUWZAFTAHV-HRCADAONSA-N 0 3 314.433 2.012 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2n1 ZINC001032517373 689173614 /nfs/dbraw/zinc/17/36/14/689173614.db2.gz NAYXWSHYSCJXRN-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCOCC2)C1 ZINC001032614197 689201845 /nfs/dbraw/zinc/20/18/45/689201845.db2.gz JTQLNPBFAOHIMS-HOTGVXAUSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCCOC2)C1 ZINC001032617584 689203172 /nfs/dbraw/zinc/20/31/72/689203172.db2.gz IRDVGEJERMXFMQ-JYJNAYRXSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001032677866 689222316 /nfs/dbraw/zinc/22/23/16/689222316.db2.gz WAQVCKXHYWBZMU-QAETUUGQSA-N 0 3 304.434 2.219 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1C ZINC001032700005 689229832 /nfs/dbraw/zinc/22/98/32/689229832.db2.gz FDBWUKVEQPPFCJ-HOTGVXAUSA-N 0 3 316.449 2.466 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873498544 689258948 /nfs/dbraw/zinc/25/89/48/689258948.db2.gz WNIOMRYYMYCSDN-OAHLLOKOSA-N 0 3 306.406 2.373 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccn(C3CCCC3)n2)C1 ZINC001033118615 689395023 /nfs/dbraw/zinc/39/50/23/689395023.db2.gz FUPHRHOPPCBQBV-MRXNPFEDSA-N 0 3 314.433 2.168 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001033121406 689395718 /nfs/dbraw/zinc/39/57/18/689395718.db2.gz HODSYUGIXGVXTF-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001033150916 689405743 /nfs/dbraw/zinc/40/57/43/689405743.db2.gz AVOUEDCATSKZPN-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sc3nccn3c2C)C1 ZINC001033156375 689407547 /nfs/dbraw/zinc/40/75/47/689407547.db2.gz SCRRWTVRQPEOJR-ZDUSSCGKSA-N 0 3 318.446 2.427 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001033204003 689424743 /nfs/dbraw/zinc/42/47/43/689424743.db2.gz QJHZKUILTAZTSS-CQSZACIVSA-N 0 3 310.401 2.041 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001033253868 689440239 /nfs/dbraw/zinc/44/02/39/689440239.db2.gz ORJFDHJYRJPQGX-MRXNPFEDSA-N 0 3 302.418 2.265 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001033295056 689452093 /nfs/dbraw/zinc/45/20/93/689452093.db2.gz HLYPAVMGASZNNZ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001033449243 689502785 /nfs/dbraw/zinc/50/27/85/689502785.db2.gz PXWMSMGCWKSVOK-ZDUSSCGKSA-N 0 3 314.389 2.392 20 30 DEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000874830490 689505636 /nfs/dbraw/zinc/50/56/36/689505636.db2.gz ROLMJEZZJMGSHY-FGTMMUONSA-N 0 3 311.429 2.454 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cn(CC)nc2C(C)C)C1 ZINC001033477298 689515222 /nfs/dbraw/zinc/51/52/22/689515222.db2.gz YUUSVHFAADAIQE-OAHLLOKOSA-N 0 3 316.449 2.196 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001033478912 689516530 /nfs/dbraw/zinc/51/65/30/689516530.db2.gz GTNFDJAYCKVPIM-AWEZNQCLSA-N 0 3 315.417 2.080 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001033488499 689519358 /nfs/dbraw/zinc/51/93/58/689519358.db2.gz VAHQBXOGNGIUHY-QGZVFWFLSA-N 0 3 312.413 2.421 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001033496865 689521133 /nfs/dbraw/zinc/52/11/33/689521133.db2.gz HWXNQGLKVJOOIE-ULQDDVLXSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ncsc2C(C)C)C1 ZINC001033583289 689550188 /nfs/dbraw/zinc/55/01/88/689550188.db2.gz XRJDNWIVEIFEAB-ZDUSSCGKSA-N 0 3 305.447 2.436 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001033582473 689550277 /nfs/dbraw/zinc/55/02/77/689550277.db2.gz MTZUSTXTPUOPHU-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccnn2C2CCC2)C1 ZINC001033836665 689631833 /nfs/dbraw/zinc/63/18/33/689631833.db2.gz IETZAWSHFBPVFZ-MRXNPFEDSA-N 0 3 314.433 2.168 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001033883148 689649558 /nfs/dbraw/zinc/64/95/58/689649558.db2.gz WMIFXPITKYKCFL-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033888540 689651962 /nfs/dbraw/zinc/65/19/62/689651962.db2.gz OTCBDFQSBMPPIY-HNNXBMFYSA-N 0 3 324.428 2.431 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001033893926 689653893 /nfs/dbraw/zinc/65/38/93/689653893.db2.gz SSAQBERQXYBGKQ-FUHWJXTLSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001033900050 689655128 /nfs/dbraw/zinc/65/51/28/689655128.db2.gz MKSATFUNTZZQLV-ZACQAIPSSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3ccncc3n2)C1 ZINC001033901097 689655942 /nfs/dbraw/zinc/65/59/42/689655942.db2.gz XVNXTEDCAKGRJW-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001033910030 689659216 /nfs/dbraw/zinc/65/92/16/689659216.db2.gz CXCVVEOFHSKGOL-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc3cccnn32)C1 ZINC001033977468 689681003 /nfs/dbraw/zinc/68/10/03/689681003.db2.gz QEZRWTSDJKYHOT-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033985638 689683696 /nfs/dbraw/zinc/68/36/96/689683696.db2.gz FAEDCNOPZJWWRZ-GOSISDBHSA-N 0 3 312.413 2.277 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(OC)c2F)C1 ZINC001033995964 689686640 /nfs/dbraw/zinc/68/66/40/689686640.db2.gz JCFPQXLFLDSORV-AWEZNQCLSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001034208633 689763892 /nfs/dbraw/zinc/76/38/92/689763892.db2.gz YPEFTMMXISOMQH-MRXNPFEDSA-N 0 3 311.429 2.107 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001034235747 689774845 /nfs/dbraw/zinc/77/48/45/689774845.db2.gz UMPGXNDAJKSDPU-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001034240788 689778107 /nfs/dbraw/zinc/77/81/07/689778107.db2.gz HPOGEGWKBZJXMS-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001034243994 689779058 /nfs/dbraw/zinc/77/90/58/689779058.db2.gz OVCVIBHTEXBAOT-CQSZACIVSA-N 0 3 319.449 2.499 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001034266026 689786988 /nfs/dbraw/zinc/78/69/88/689786988.db2.gz MOGWVRZJLDXZOH-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cncc(OC)c2C)C1 ZINC001034270737 689788800 /nfs/dbraw/zinc/78/88/00/689788800.db2.gz FOLCAPXAJITGPT-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCn3nccc32)C1 ZINC001034284009 689793705 /nfs/dbraw/zinc/79/37/05/689793705.db2.gz YVFATBKZCLFXTP-HOTGVXAUSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034290951 689797751 /nfs/dbraw/zinc/79/77/51/689797751.db2.gz KWXNFKYDSJOQMD-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC2CCN(C(=O)C3CC3)CC2)c1 ZINC000876521496 689845338 /nfs/dbraw/zinc/84/53/38/689845338.db2.gz PIBFLLBLIHLTKL-UHFFFAOYSA-N 0 3 318.808 2.097 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)C[C@H]1COc2ccccc2O1 ZINC000876557602 689856079 /nfs/dbraw/zinc/85/60/79/689856079.db2.gz ZWPGMHVKQPBFRI-QWHCGFSZSA-N 0 3 324.808 2.145 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3nsnc32)C1 ZINC001034466956 689860871 /nfs/dbraw/zinc/86/08/71/689860871.db2.gz FLYIVGBPHLSGPI-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001034470959 689862601 /nfs/dbraw/zinc/86/26/01/689862601.db2.gz ZFTAPPPAAKZADJ-AWEZNQCLSA-N 0 3 303.406 2.406 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)NCCC)c1 ZINC000876581708 689865083 /nfs/dbraw/zinc/86/50/83/689865083.db2.gz CVXWYRKMCWSOHB-ZDUSSCGKSA-N 0 3 309.797 2.235 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001034523289 689883325 /nfs/dbraw/zinc/88/33/25/689883325.db2.gz CYWZFKXBUQVHLC-HNNXBMFYSA-N 0 3 316.401 2.228 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000876647964 689888358 /nfs/dbraw/zinc/88/83/58/689888358.db2.gz TWJANKIOBBSDAP-LBPRGKRZSA-N 0 3 307.781 2.370 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000876647204 689888515 /nfs/dbraw/zinc/88/85/15/689888515.db2.gz ITGXOVHKIUCCKF-ZDUSSCGKSA-N 0 3 310.781 2.201 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034559228 689898802 /nfs/dbraw/zinc/89/88/02/689898802.db2.gz RESITSDVMLQQIF-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)C(F)F)CC1 ZINC001034576980 689900869 /nfs/dbraw/zinc/90/08/69/689900869.db2.gz RIOAHRWTEPJRFZ-HDJSIYSDSA-N 0 3 307.344 2.340 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000876688103 689903257 /nfs/dbraw/zinc/90/32/57/689903257.db2.gz URQDUJANJPEDGB-NWDGAFQWSA-N 0 3 310.781 2.263 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000876692069 689904649 /nfs/dbraw/zinc/90/46/49/689904649.db2.gz MIYITHHKOJDWNG-VXGBXAGGSA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000876695125 689906082 /nfs/dbraw/zinc/90/60/82/689906082.db2.gz SAPJUPLTDMSCFR-GFCCVEGCSA-N 0 3 323.780 2.360 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000876699077 689907336 /nfs/dbraw/zinc/90/73/36/689907336.db2.gz PNRZMNCORHPCRY-RKDXNWHRSA-N 0 3 300.790 2.014 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000876710524 689911483 /nfs/dbraw/zinc/91/14/83/689911483.db2.gz IOQMICDOCFHGIP-INIZCTEOSA-N 0 3 321.852 2.109 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000876714772 689913032 /nfs/dbraw/zinc/91/30/32/689913032.db2.gz DIBAJGZWGNGAPD-CYBMUJFWSA-N 0 3 308.813 2.480 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000876726835 689917593 /nfs/dbraw/zinc/91/75/93/689917593.db2.gz ADTNMJGTQOSRNX-ZFWWWQNUSA-N 0 3 307.825 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000876736631 689921162 /nfs/dbraw/zinc/92/11/62/689921162.db2.gz MGAFYGVMEHLFFZ-OAHLLOKOSA-N 0 3 307.825 2.242 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](NCC#N)CC1 ZINC001034775284 689945338 /nfs/dbraw/zinc/94/53/38/689945338.db2.gz JRODBKJXGGKEFS-ULQDDVLXSA-N 0 3 320.481 2.182 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000876989102 689992209 /nfs/dbraw/zinc/99/22/09/689992209.db2.gz OKZNZOUYVVJXBS-ZBFHGGJFSA-N 0 3 321.852 2.189 20 30 DEEDHN COC(=O)c1cc(CNCc2ccc(OCC#N)cc2)[nH]c1C ZINC000877025137 690000544 /nfs/dbraw/zinc/00/05/44/690000544.db2.gz CRHWHESAVBGUFC-UHFFFAOYSA-N 0 3 313.357 2.302 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001035016503 690011206 /nfs/dbraw/zinc/01/12/06/690011206.db2.gz VXQARUBRJQHWJM-OAHLLOKOSA-N 0 3 304.438 2.021 20 30 DEEDHN CC(C)C[C@H](N)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000877214320 690048043 /nfs/dbraw/zinc/04/80/43/690048043.db2.gz BALLKTZRKDYZFP-INIZCTEOSA-N 0 3 311.389 2.115 20 30 DEEDHN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)[nH]n1 ZINC000877297048 690069008 /nfs/dbraw/zinc/06/90/08/690069008.db2.gz GLGJHLGVLTYPAZ-ZIAGYGMSSA-N 0 3 317.437 2.260 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NC1CC(Nc2ccccc2)C1 ZINC000877435328 690112550 /nfs/dbraw/zinc/11/25/50/690112550.db2.gz PUKHWHGXVUJYIQ-UYSNPLJNSA-N 0 3 300.406 2.157 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(OC)ns1)CC2 ZINC001035708102 690157382 /nfs/dbraw/zinc/15/73/82/690157382.db2.gz VKZQZAJPFDCLIK-UHFFFAOYSA-N 0 3 321.446 2.266 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)CC2 ZINC001035708553 690157422 /nfs/dbraw/zinc/15/74/22/690157422.db2.gz XKBWQMBSVJGIAQ-CVEARBPZSA-N 0 3 306.425 2.462 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccn3nccc13)CC2 ZINC001035738321 690164922 /nfs/dbraw/zinc/16/49/22/690164922.db2.gz DAAJEDXYXBLXPS-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](OC)C1CCC1)CC2 ZINC001035758609 690169608 /nfs/dbraw/zinc/16/96/08/690169608.db2.gz GMKVNUOQGYOFMJ-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc(C#N)cnc2Cl)C1 ZINC000877623701 690170678 /nfs/dbraw/zinc/17/06/78/690170678.db2.gz XRFOHNHHRDRGPU-NWANDNLSSA-N 0 3 323.824 2.262 20 30 DEEDHN C=C1CCC(C(=O)N2CCC3(CN(CCOC)C3)CC2)CC1 ZINC001035786815 690175767 /nfs/dbraw/zinc/17/57/67/690175767.db2.gz ISOHZKXYNVXODK-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)nn1CC)CC2 ZINC001035806022 690181114 /nfs/dbraw/zinc/18/11/14/690181114.db2.gz QHBZIHXAVQZTFW-UHFFFAOYSA-N 0 3 316.449 2.326 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1sc(C)nc1C)CC2 ZINC001035849624 690192720 /nfs/dbraw/zinc/19/27/20/690192720.db2.gz FWZIPSITKGYSNV-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(C)nc1C)CC2 ZINC001035858070 690194562 /nfs/dbraw/zinc/19/45/62/690194562.db2.gz GBAZUXHLHFGFHX-UHFFFAOYSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1COc3ccccc31)CC2 ZINC001035863396 690196721 /nfs/dbraw/zinc/19/67/21/690196721.db2.gz ZWYNDTBOSMREFQ-QGZVFWFLSA-N 0 3 324.424 2.110 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccn(CC)n2)[C@@H](C)C1 ZINC001036141064 690273223 /nfs/dbraw/zinc/27/32/23/690273223.db2.gz FRSIHBXCXPYHNV-HOCLYGCPSA-N 0 3 318.465 2.442 20 30 DEEDHN C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNCc1cncs1 ZINC001036550656 690383119 /nfs/dbraw/zinc/38/31/19/690383119.db2.gz ZCFMTAHBABOWMU-CJNGLKHVSA-N 0 3 317.458 2.273 20 30 DEEDHN CC[C@@]1(O)CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878466616 690415559 /nfs/dbraw/zinc/41/55/59/690415559.db2.gz UHNWKDIEFUUNGJ-MSOLQXFVSA-N 0 3 300.402 2.274 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3cc(CC)[nH]n3)CC[C@@H]21 ZINC001036650422 690420418 /nfs/dbraw/zinc/42/04/18/690420418.db2.gz NETNQCDHFYSLCY-WFASDCNBSA-N 0 3 322.840 2.261 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3nsnc32)CC1 ZINC000878750326 690491384 /nfs/dbraw/zinc/49/13/84/690491384.db2.gz ASXQFGMKYBCXAN-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC2(CCC2)CO1 ZINC000878802636 690502972 /nfs/dbraw/zinc/50/29/72/690502972.db2.gz MKYARYXYIWRLIM-SJORKVTESA-N 0 3 300.402 2.483 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H]2CNCc2ccn(C)n2)C1 ZINC001037075291 690565808 /nfs/dbraw/zinc/56/58/08/690565808.db2.gz NUXVRGWCYBPYOM-GDBMZVCRSA-N 0 3 316.449 2.151 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2CCOCCC#N ZINC000879754862 690722195 /nfs/dbraw/zinc/72/21/95/690722195.db2.gz ILRWLTYXYJQBHJ-LSDHHAIUSA-N 0 3 323.437 2.390 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)c[nH]1 ZINC001038175138 690730872 /nfs/dbraw/zinc/73/08/72/690730872.db2.gz MAAKRSMFVAAQBJ-MRXNPFEDSA-N 0 3 312.417 2.271 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038304976 690775177 /nfs/dbraw/zinc/77/51/77/690775177.db2.gz DYLJGAASFBFSBQ-HNNXBMFYSA-N 0 3 304.438 2.309 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038311047 690776662 /nfs/dbraw/zinc/77/66/62/690776662.db2.gz NBBGNCGYYMZUBO-CQSZACIVSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001038394728 690803888 /nfs/dbraw/zinc/80/38/88/690803888.db2.gz YOTYWECIJYOJLW-AEFFLSMTSA-N 0 3 313.445 2.280 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038425306 690817518 /nfs/dbraw/zinc/81/75/18/690817518.db2.gz HVOAWTRDOCTAGT-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN N#Cc1cccc(OCCCN2CCNC(=O)CC23CCC3)c1 ZINC000880169508 690828615 /nfs/dbraw/zinc/82/86/15/690828615.db2.gz CMLZPBHQIKMBKM-UHFFFAOYSA-N 0 3 313.401 2.072 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001038546258 690854742 /nfs/dbraw/zinc/85/47/42/690854742.db2.gz MJNJGRFFQPCEOH-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038567546 690861968 /nfs/dbraw/zinc/86/19/68/690861968.db2.gz OCSJSCNUYCVCFH-LBPRGKRZSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001038632179 690881644 /nfs/dbraw/zinc/88/16/44/690881644.db2.gz PLOXLUOIAPPGRU-ZFWWWQNUSA-N 0 3 318.421 2.032 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCCO2)CC1 ZINC001038660027 690888680 /nfs/dbraw/zinc/88/86/80/690888680.db2.gz DPCPNEKNVWRRPY-IRXDYDNUSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038851844 690944175 /nfs/dbraw/zinc/94/41/75/690944175.db2.gz UBBOXILVGGXPNW-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCCC2CCC2)cn1 ZINC001038930051 690969727 /nfs/dbraw/zinc/96/97/27/690969727.db2.gz BGTVLNHKTAEPPS-GOSISDBHSA-N 0 3 311.429 2.447 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(C#N)c2)CC1 ZINC000880876088 690987591 /nfs/dbraw/zinc/98/75/91/690987591.db2.gz NRDAGCPQKIRNNW-UHFFFAOYSA-N 0 3 314.389 2.339 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001039031465 690998223 /nfs/dbraw/zinc/99/82/23/690998223.db2.gz GLGNBBZBEKUMAS-CQSZACIVSA-N 0 3 302.422 2.370 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1C ZINC001039038375 691000523 /nfs/dbraw/zinc/00/05/23/691000523.db2.gz BYOOEKWHHBOLRJ-AWEZNQCLSA-N 0 3 318.417 2.392 20 30 DEEDHN C=CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C(=O)C(C)(C)C)C1 ZINC001039195449 691048901 /nfs/dbraw/zinc/04/89/01/691048901.db2.gz ICLMIKYQAOEUCO-GJZGRUSLSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2coc(CC)n2)C1 ZINC001039198532 691050493 /nfs/dbraw/zinc/05/04/93/691050493.db2.gz JWJDBMAJDBQFPC-ZBFHGGJFSA-N 0 3 315.417 2.187 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2nc(C)c[nH]2)C1 ZINC001039229540 691062759 /nfs/dbraw/zinc/06/27/59/691062759.db2.gz FEWAZVFCRBQUAO-HOTGVXAUSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC2=CCOCC2)C1 ZINC001039232322 691063318 /nfs/dbraw/zinc/06/33/18/691063318.db2.gz VIPZRUPYAQFDDV-ZWKOTPCHSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ncccc2F)C1 ZINC001039237277 691063991 /nfs/dbraw/zinc/06/39/91/691063991.db2.gz GQJPPVCZLUYVLW-GDBMZVCRSA-N 0 3 315.392 2.171 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccnn1C ZINC001039376386 691092297 /nfs/dbraw/zinc/09/22/97/691092297.db2.gz RWNIXJCZMULILR-OAGGEKHMSA-N 0 3 316.449 2.165 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001039383406 691094029 /nfs/dbraw/zinc/09/40/29/691094029.db2.gz ZQNPPRPBGHVJLT-KGLIPLIRSA-N 0 3 311.385 2.463 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001039433208 691105124 /nfs/dbraw/zinc/10/51/24/691105124.db2.gz YSLNLYQUYUXPEU-CVEARBPZSA-N 0 3 300.402 2.219 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CC2)n1 ZINC001039449219 691108280 /nfs/dbraw/zinc/10/82/80/691108280.db2.gz OCUWHCUXIWKANF-CABCVRRESA-N 0 3 313.401 2.254 20 30 DEEDHN C#CC1(F)CN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000881943390 691188829 /nfs/dbraw/zinc/18/88/29/691188829.db2.gz ZRFHCEZSYGLDGS-UHFFFAOYSA-N 0 3 300.333 2.292 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)Cc3ccc(C)o3)C2)C1 ZINC001040166091 691207051 /nfs/dbraw/zinc/20/70/51/691207051.db2.gz OQHQNLIAEYPJBK-LJQANCHMSA-N 0 3 314.429 2.468 20 30 DEEDHN 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C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001345204413 1150873590 /nfs/dbraw/zinc/87/35/90/1150873590.db2.gz CPIJMJNYQMBXTM-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC001414099897 1151709210 /nfs/dbraw/zinc/70/92/10/1151709210.db2.gz GOWGVCSDMMIVJT-HNNXBMFYSA-N 0 3 312.394 2.219 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001353427110 1151830038 /nfs/dbraw/zinc/83/00/38/1151830038.db2.gz QRLXVVJQZLUVHW-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1cnc(N2CCN[C@@H](c3ccc(O)cc3)C2)c(Cl)c1 ZINC001472868003 1151952829 /nfs/dbraw/zinc/95/28/29/1151952829.db2.gz PNAWRIORZXWPIG-OAHLLOKOSA-N 0 3 314.776 2.463 20 30 DEEDHN N#CC(C(=O)CCn1cccn1)c1nccn1Cc1ccccc1 ZINC001357544917 1152310445 /nfs/dbraw/zinc/31/04/45/1152310445.db2.gz SOUHDITTXMUPBW-MRXNPFEDSA-N 0 3 319.368 2.394 20 30 DEEDHN C#CCCCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001358927492 1152528779 /nfs/dbraw/zinc/52/87/79/1152528779.db2.gz AMUIECWLZMRFEI-HUUCEWRRSA-N 0 3 315.465 2.488 20 30 DEEDHN CC[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CC1 ZINC001380063052 1152742721 /nfs/dbraw/zinc/74/27/21/1152742721.db2.gz WQCBRIAGPPRCKB-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN CCOCC(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001380295426 1152783282 /nfs/dbraw/zinc/78/32/82/1152783282.db2.gz WPVSIBWMTRDYCY-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3CN(C(=O)CCCF)C[C@@H]3C2)c1 ZINC001380710490 1152848204 /nfs/dbraw/zinc/84/82/04/1152848204.db2.gz XOPVPONTXXCBCW-CALCHBBNSA-N 0 3 315.392 2.198 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001381336124 1153008406 /nfs/dbraw/zinc/00/84/06/1153008406.db2.gz UBORYNJRMYWNRM-BLZCZZARSA-N 0 3 319.836 2.033 20 30 DEEDHN C[C@@H](CNC(=O)CC(F)(F)F)N(C)Cc1cccc(C#N)c1 ZINC001381494569 1153089925 /nfs/dbraw/zinc/08/99/25/1153089925.db2.gz HIQMKBYZAPAVRH-NSHDSACASA-N 0 3 313.323 2.447 20 30 DEEDHN CCc1cccc(OCCN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)c1 ZINC001381508758 1153102191 /nfs/dbraw/zinc/10/21/91/1153102191.db2.gz KNQZXIIUONJNOP-GJZGRUSLSA-N 0 3 317.433 2.224 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001381561998 1153127240 /nfs/dbraw/zinc/12/72/40/1153127240.db2.gz VMQPHNOMGGQWIY-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1cccc(C#N)n1 ZINC001363009603 1153184501 /nfs/dbraw/zinc/18/45/01/1153184501.db2.gz WXGZKHJFGKTWJI-UHFFFAOYSA-N 0 3 310.357 2.276 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 ZINC001363448849 1153410083 /nfs/dbraw/zinc/41/00/83/1153410083.db2.gz NFVVXXXCMKDAOW-AEFFLSMTSA-N 0 3 320.396 2.233 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1OCC ZINC001388759015 1155082191 /nfs/dbraw/zinc/08/21/91/1155082191.db2.gz GNIUBSGPGCBRSN-IACUBPJLSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC001390041356 1155507922 /nfs/dbraw/zinc/50/79/22/1155507922.db2.gz VRHXTJXTWOSERD-YIYPIFLZSA-N 0 3 300.830 2.323 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)c2ccccc2)cc1C#N ZINC001371096539 1155702721 /nfs/dbraw/zinc/70/27/21/1155702721.db2.gz VVWYYEXLZGXQHH-AWEZNQCLSA-N 0 3 323.396 2.475 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(F)c(C#N)c1 ZINC001390478872 1155751926 /nfs/dbraw/zinc/75/19/26/1155751926.db2.gz FSKPXDCIRRLCCN-RISCZKNCSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1[nH]ccc1C ZINC001390664149 1155831715 /nfs/dbraw/zinc/83/17/15/1155831715.db2.gz KMEVLINLQVOMAO-LLVKDONJSA-N 0 3 314.227 2.330 20 30 DEEDHN Cc1cc(C(=O)NCC[C@H](C)NCc2ccccc2C#N)on1 ZINC001371711756 1155958929 /nfs/dbraw/zinc/95/89/29/1155958929.db2.gz HAPQAFYVBUEDHP-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)C1=CCCC1 ZINC001371748751 1155999848 /nfs/dbraw/zinc/99/98/48/1155999848.db2.gz UDWATQSVESWIDX-LLVKDONJSA-N 0 3 301.228 2.490 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001371842885 1156039102 /nfs/dbraw/zinc/03/91/02/1156039102.db2.gz MCAKVKUFKKAPJA-MRVPVSSYSA-N 0 3 324.734 2.279 20 30 DEEDHN C[C@@H](C#N)C(=O)NCc1ccc(CNCc2cccnc2)cc1 ZINC001391828400 1156811469 /nfs/dbraw/zinc/81/14/69/1156811469.db2.gz GYNNIOZNRQTLGS-AWEZNQCLSA-N 0 3 308.385 2.147 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)c1 ZINC001373156291 1156875236 /nfs/dbraw/zinc/87/52/36/1156875236.db2.gz TVIFSNVQFBSFIW-YJEWXARHSA-N 0 3 306.797 2.081 20 30 DEEDHN CCc1cccc(OCCN(C)CCN(C)C(=O)[C@H](C)C#N)c1 ZINC001392264075 1156942449 /nfs/dbraw/zinc/94/24/49/1156942449.db2.gz BNDPNXRYPDUQRU-OAHLLOKOSA-N 0 3 317.433 2.178 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)[C@H](C)C1CC1 ZINC001392549624 1157118445 /nfs/dbraw/zinc/11/84/45/1157118445.db2.gz CDILYNFJPKSZRQ-QWHCGFSZSA-N 0 3 315.417 2.207 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001392557608 1157132146 /nfs/dbraw/zinc/13/21/46/1157132146.db2.gz MLNXDVOJJHTVBP-NSHDSACASA-N 0 3 302.403 2.164 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001392680240 1157328912 /nfs/dbraw/zinc/32/89/12/1157328912.db2.gz YCTSDKACQWIESU-CZUORRHYSA-N 0 3 321.396 2.274 20 30 DEEDHN CC(C)c1cccc(CNC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001392774955 1157403115 /nfs/dbraw/zinc/40/31/15/1157403115.db2.gz URBMIMRKQASKKD-CXAGYDPISA-N 0 3 314.433 2.349 20 30 DEEDHN CSC[C@H](C)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001392888940 1157514976 /nfs/dbraw/zinc/51/49/76/1157514976.db2.gz HOAONTNTAHPINF-ZDUSSCGKSA-N 0 3 317.458 2.296 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cccnc1OCC(C)C ZINC001492816550 1157539059 /nfs/dbraw/zinc/53/90/59/1157539059.db2.gz CQBYRGMKDQRPKF-UHFFFAOYSA-N 0 3 305.422 2.354 20 30 DEEDHN COc1cccc(CNC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)c1Cl ZINC001374205907 1157724921 /nfs/dbraw/zinc/72/49/21/1157724921.db2.gz KRRGPELCFJBXQI-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN Cc1ncc(CN(C)CCC2CCN(C(=O)[C@@H](C)C#N)CC2)o1 ZINC001374401808 1157840447 /nfs/dbraw/zinc/84/04/47/1157840447.db2.gz YCLRDFBAQFJUKE-ZDUSSCGKSA-N 0 3 318.421 2.203 20 30 DEEDHN Cc1ncsc1CN1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 ZINC001393596286 1157874424 /nfs/dbraw/zinc/87/44/24/1157874424.db2.gz FFMBFVFLXCUEHG-DGCLKSJQSA-N 0 3 306.435 2.082 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)c2ccc[nH]2)C1 ZINC001393893756 1158052093 /nfs/dbraw/zinc/05/20/93/1158052093.db2.gz UXSKSLHDYBCJEA-UHFFFAOYSA-N 0 3 312.211 2.021 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CNCc1cc(Cl)cc2c1OCC2 ZINC001374873814 1158068675 /nfs/dbraw/zinc/06/86/75/1158068675.db2.gz SZOJTYRFPMJYDU-MNOVXSKESA-N 0 3 321.808 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H](CNCc1ccccc1F)C1CC1 ZINC001394413085 1158500873 /nfs/dbraw/zinc/50/08/73/1158500873.db2.gz AJMHRHVHQSCEGQ-LRDDRELGSA-N 0 3 303.381 2.312 20 30 DEEDHN CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC/C=C/Cl ZINC001394711432 1158716650 /nfs/dbraw/zinc/71/66/50/1158716650.db2.gz IPHGUPAHTOVRLL-ITDFMYJTSA-N 0 3 306.797 2.079 20 30 DEEDHN C#CCCN(C)CCNC(=O)COc1ccccc1C(C)C ZINC001492846455 1159696867 /nfs/dbraw/zinc/69/68/67/1159696867.db2.gz NMAOHMRPVNILBI-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN C[C@H](CCNC(=O)C1CCC1)NCc1cc(C#N)ccc1F ZINC001376998230 1159870422 /nfs/dbraw/zinc/87/04/22/1159870422.db2.gz BWBMVRHLFLCAIY-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cncc(OC)c1C ZINC001377055905 1159887068 /nfs/dbraw/zinc/88/70/68/1159887068.db2.gz VFISTSVRCHJRNO-LLVKDONJSA-N 0 3 311.813 2.249 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001492856963 1160020493 /nfs/dbraw/zinc/02/04/93/1160020493.db2.gz HQIAHRKZHXTUSX-UHFFFAOYSA-N 0 3 302.378 2.216 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2cnccc2C)C1 ZINC001397594481 1160353704 /nfs/dbraw/zinc/35/37/04/1160353704.db2.gz QBMAZTDRMUIHOE-OTVXOJSOSA-N 0 3 307.825 2.169 20 30 DEEDHN CC(=O)CCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001377754407 1160807192 /nfs/dbraw/zinc/80/71/92/1160807192.db2.gz GOBXSBRQEAZADV-QWHCGFSZSA-N 0 3 321.446 2.362 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)Cn2cncc2C)C1 ZINC001398457272 1160896765 /nfs/dbraw/zinc/89/67/65/1160896765.db2.gz KRBIFEUSBDPGRL-OAHLLOKOSA-N 0 3 324.856 2.114 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001398668096 1161044609 /nfs/dbraw/zinc/04/46/09/1161044609.db2.gz FDTJRFQHJPQDAO-BETUJISGSA-N 0 3 300.830 2.183 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)Cc3ccc[nH]3)C2)cc1 ZINC001399933955 1161611501 /nfs/dbraw/zinc/61/15/01/1161611501.db2.gz SGIIJHIOTMVUGP-KRWDZBQOSA-N 0 3 322.412 2.067 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1coc2ccccc12 ZINC001492893760 1161756882 /nfs/dbraw/zinc/75/68/82/1161756882.db2.gz DKOZUAKNHHLLPY-UHFFFAOYSA-N 0 3 302.374 2.297 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)nnc1C)C(C)C ZINC001401325587 1161932061 /nfs/dbraw/zinc/93/20/61/1161932061.db2.gz MICBAOZRCDUDKF-CQSZACIVSA-N 0 3 310.829 2.190 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@]12C[C@H]1CCC2 ZINC001401635428 1162053613 /nfs/dbraw/zinc/05/36/13/1162053613.db2.gz UNZUJRLGDUDXQZ-CDHAZOANSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cc1ccoc1 ZINC001401678369 1162072813 /nfs/dbraw/zinc/07/28/13/1162072813.db2.gz VSEPPYQDUSYMIZ-LBPRGKRZSA-N 0 3 315.348 2.127 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cc(F)c[nH]1 ZINC001401756989 1162111369 /nfs/dbraw/zinc/11/13/69/1162111369.db2.gz HKFCWVJVRYZZHQ-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN CC[C@H](C)OCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001401938582 1162189850 /nfs/dbraw/zinc/18/98/50/1162189850.db2.gz UNDBOTVHJNQWDK-AWEZNQCLSA-N 0 3 315.417 2.112 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CC[C@@H](F)C3)CC2)cc1 ZINC001401958915 1162197061 /nfs/dbraw/zinc/19/70/61/1162197061.db2.gz OEUHJHKGMWDNNK-HZPDHXFCSA-N 0 3 315.392 2.435 20 30 DEEDHN Cc1cccnc1CNC[C@H](CC(C)C)NC(=O)[C@H](C)C#N ZINC001405925446 1164338683 /nfs/dbraw/zinc/33/86/83/1164338683.db2.gz IRRHMFBWCSNQET-CABCVRRESA-N 0 3 302.422 2.170 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC1CCOCC1 ZINC001406451826 1164613228 /nfs/dbraw/zinc/61/32/28/1164613228.db2.gz CMWDYCURFGYABA-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC[C@@H](C)OC)C1 ZINC001417803619 1167224612 /nfs/dbraw/zinc/22/46/12/1167224612.db2.gz FVTGCTWHNZUGKG-HZSPNIEDSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001417900793 1167293033 /nfs/dbraw/zinc/29/30/33/1167293033.db2.gz PDUJKFRSARRFOA-TZMCWYRMSA-N 0 3 310.829 2.145 20 30 DEEDHN Cc1ncc(CN2CCC3(C[C@@H]3NC(=O)[C@H](C)C#N)CC2)s1 ZINC001417957128 1167327501 /nfs/dbraw/zinc/32/75/01/1167327501.db2.gz SBXRGQJNZRCINB-RISCZKNCSA-N 0 3 318.446 2.082 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418127663 1167429073 /nfs/dbraw/zinc/42/90/73/1167429073.db2.gz RACIBWMQVCLVAO-DZGCQCFKSA-N 0 3 303.381 2.314 20 30 DEEDHN Cc1cncc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)c1 ZINC001418210688 1167491439 /nfs/dbraw/zinc/49/14/39/1167491439.db2.gz PQEKQWQSQVDVIM-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@@H](CNC(=O)C1(F)CCCC1)NCc1ccc(C#N)s1 ZINC001418250013 1167517615 /nfs/dbraw/zinc/51/76/15/1167517615.db2.gz LBZDPJZKAGBMTR-NSHDSACASA-N 0 3 309.410 2.496 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)CCOC1CCC1 ZINC001418828958 1167992510 /nfs/dbraw/zinc/99/25/10/1167992510.db2.gz KUYFBHDUANRWEP-GJZGRUSLSA-N 0 3 307.438 2.028 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001419647063 1168746663 /nfs/dbraw/zinc/74/66/63/1168746663.db2.gz HHZTYFWDXCLIID-RYUDHWBXSA-N 0 3 323.437 2.385 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001419675707 1168791297 /nfs/dbraw/zinc/79/12/97/1168791297.db2.gz ZRMUSWSJAACKLU-NVPAJSRCSA-N 0 3 310.401 2.235 20 30 DEEDHN C[C@@H](CNC(=O)C1CC2(CC2)C1)NCc1ccc(F)c(C#N)c1 ZINC001419852341 1168873804 /nfs/dbraw/zinc/87/38/04/1168873804.db2.gz LMLSXAKIWJBHQV-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC1(C)CC1 ZINC001420444012 1169563362 /nfs/dbraw/zinc/56/33/62/1169563362.db2.gz QAOUVVLSNFKKKW-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN CC(C)(C)OCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001420950987 1171375665 /nfs/dbraw/zinc/37/56/65/1171375665.db2.gz YOGOZSKMPVXRRC-UHFFFAOYSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Br)CNC[C@](C)(NC(=O)[C@@H]1C[C@H]1C)C1CC1 ZINC001421561820 1171848748 /nfs/dbraw/zinc/84/87/48/1171848748.db2.gz IXMZNDQXTDCCGP-IUPBHXKESA-N 0 3 315.255 2.426 20 30 DEEDHN CN1CCN(C[C@@H](O)c2cccc(C#N)c2)C[C@H]1C(C)(C)C ZINC001422004637 1172223802 /nfs/dbraw/zinc/22/38/02/1172223802.db2.gz LYQCZBLLTFRJAX-SJORKVTESA-N 0 3 301.434 2.254 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CC1(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001422507904 1172662548 /nfs/dbraw/zinc/66/25/48/1172662548.db2.gz FDGIDSGZZHUGCD-FZMZJTMJSA-N 0 3 307.344 2.150 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(F)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001422634630 1172783199 /nfs/dbraw/zinc/78/31/99/1172783199.db2.gz SBDLHDGOBDHPBT-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccccn1 ZINC001422775713 1172853812 /nfs/dbraw/zinc/85/38/12/1172853812.db2.gz QEVPDINEPDTEEC-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)COC(C)C)C[C@@H]2C1 ZINC001422864764 1172889524 /nfs/dbraw/zinc/88/95/24/1172889524.db2.gz BAEHUILEICFJHZ-ZNMIVQPWSA-N 0 3 314.857 2.381 20 30 DEEDHN C[C@H](C(=O)NCC1(NCc2ccc(C#N)cc2)CC1)n1cccc1 ZINC001423194591 1173159298 /nfs/dbraw/zinc/15/92/98/1173159298.db2.gz DWFZTUMMFQIPMJ-OAHLLOKOSA-N 0 3 322.412 2.359 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1ccc(F)cc1 ZINC001424941339 1174046296 /nfs/dbraw/zinc/04/62/96/1174046296.db2.gz XJKIBWCNCWGXKZ-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN Cc1noc(C)c1CN1CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001426178419 1174632437 /nfs/dbraw/zinc/63/24/37/1174632437.db2.gz FYYJNFXYUVITFB-RYUDHWBXSA-N 0 3 318.421 2.168 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCCc2c1cnn2C ZINC001434462462 1178600466 /nfs/dbraw/zinc/60/04/66/1178600466.db2.gz CTDAEOFNXXYICG-AEFFLSMTSA-N 0 3 310.401 2.335 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001436683798 1179187437 /nfs/dbraw/zinc/18/74/37/1179187437.db2.gz JEUQLZGZMHWRRD-WMLDXEAASA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001436936605 1179309697 /nfs/dbraw/zinc/30/96/97/1179309697.db2.gz VQVQJTXVNGVVKT-JYJNAYRXSA-N 0 3 321.852 2.279 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCC(NCc2cc(C3CC3)no2)CC1 ZINC001437096647 1179402770 /nfs/dbraw/zinc/40/27/70/1179402770.db2.gz RUXKNPXJBFZZFQ-XGNXJENSSA-N 0 3 316.405 2.229 20 30 DEEDHN C=C(Cl)CN(C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001437521812 1179835101 /nfs/dbraw/zinc/83/51/01/1179835101.db2.gz CKEYAECCXQKELG-CQSZACIVSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2ccon2)CCCC1 ZINC001438605967 1180655987 /nfs/dbraw/zinc/65/59/87/1180655987.db2.gz SCGKYZDDRNWNHD-UHFFFAOYSA-N 0 3 311.813 2.378 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc2cccnn21)C(C)C ZINC001438826198 1180823142 /nfs/dbraw/zinc/82/31/42/1180823142.db2.gz GDGAQALCCHSKPG-CQSZACIVSA-N 0 3 320.824 2.431 20 30 DEEDHN CCC(=O)N[C@]1(C)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001439826678 1181253000 /nfs/dbraw/zinc/25/30/00/1181253000.db2.gz CQEJUBMPZOSQJV-QGZVFWFLSA-N 0 3 301.390 2.080 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(CCOC)CC2)C1 ZINC001440346463 1181458172 /nfs/dbraw/zinc/45/81/72/1181458172.db2.gz WOCJIPIGTHZLHO-JOCQHMNTSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)o2)CCOCC1 ZINC001440565978 1181596704 /nfs/dbraw/zinc/59/67/04/1181596704.db2.gz XWVBJABZUCTRLW-UHFFFAOYSA-N 0 3 312.797 2.209 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1onc2c1CCCC2 ZINC001440668386 1181634645 /nfs/dbraw/zinc/63/46/45/1181634645.db2.gz OSUMOWYCNYVUDA-NSHDSACASA-N 0 3 311.813 2.404 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)Cn1ccnc1C(C)C ZINC001440840326 1181721415 /nfs/dbraw/zinc/72/14/15/1181721415.db2.gz DHGJACVLKRHPEV-OLZOCXBDSA-N 0 3 312.845 2.242 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441489597 1182020740 /nfs/dbraw/zinc/02/07/40/1182020740.db2.gz CSPXOLAKROZXIJ-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN CS[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001441493505 1182021856 /nfs/dbraw/zinc/02/18/56/1182021856.db2.gz HFEKTOMEHFJYKD-GHMZBOCLSA-N 0 3 311.476 2.308 20 30 DEEDHN Cc1ocnc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001442241620 1182386724 /nfs/dbraw/zinc/38/67/24/1182386724.db2.gz NYXVCDIOBOAWQQ-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(COC)CCCC1 ZINC001442258325 1182393448 /nfs/dbraw/zinc/39/34/48/1182393448.db2.gz CTGOEEROLOXDEA-CYBMUJFWSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(CC)CCOCC1 ZINC001442330847 1182421287 /nfs/dbraw/zinc/42/12/87/1182421287.db2.gz XZGDTPFBXKDEAO-CYBMUJFWSA-N 0 3 302.846 2.430 20 30 DEEDHN CCN(CCNC(=O)c1ccns1)Cc1cccc(C#N)c1 ZINC001442681368 1182632068 /nfs/dbraw/zinc/63/20/68/1182632068.db2.gz RFJABAVVYCUWJG-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN COCc1ccc(CN(CCNC(=O)[C@@H](C)C#N)C2CC2)cc1 ZINC001442996480 1182822833 /nfs/dbraw/zinc/82/28/33/1182822833.db2.gz RGSCMRXTRPLDIA-AWEZNQCLSA-N 0 3 315.417 2.073 20 30 DEEDHN CC[C@H](F)CN(C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001443309144 1182917744 /nfs/dbraw/zinc/91/77/44/1182917744.db2.gz CJXLZEWFHGIOPK-OCCSQVGLSA-N 0 3 306.385 2.028 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)CNCc2ccccc2C#N)ccn1 ZINC001444380562 1183364713 /nfs/dbraw/zinc/36/47/13/1183364713.db2.gz LTXFVBYOZCIDQA-CQSZACIVSA-N 0 3 322.412 2.417 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccns1 ZINC001444617107 1183485935 /nfs/dbraw/zinc/48/59/35/1183485935.db2.gz ULZRCTPPKJJVIE-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN CC[C@H](F)CNC[C@@H](CC(C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC001444746962 1183539850 /nfs/dbraw/zinc/53/98/50/1183539850.db2.gz JPUYICHTEXKHID-UONOGXRCSA-N 0 3 308.401 2.369 20 30 DEEDHN CC(C)OCCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001445517819 1183892234 /nfs/dbraw/zinc/89/22/34/1183892234.db2.gz RGBKWFNBTIDMLV-LBPRGKRZSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)Cc1cccnc1 ZINC001445697944 1183992833 /nfs/dbraw/zinc/99/28/33/1183992833.db2.gz ZNIFHWFCMGSFNS-OAHLLOKOSA-N 0 3 322.412 2.132 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CCOC)CC2)C1 ZINC001446290642 1184297149 /nfs/dbraw/zinc/29/71/49/1184297149.db2.gz GIMZNUOJORTTTN-OAHLLOKOSA-N 0 3 314.857 2.336 20 30 DEEDHN C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001446942125 1184585027 /nfs/dbraw/zinc/58/50/27/1184585027.db2.gz IMYUJTSUZWQFFB-WCQYABFASA-N 0 3 308.809 2.442 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](C)N(C)CCOc1ccc(Cl)cc1 ZINC001447998137 1185013549 /nfs/dbraw/zinc/01/35/49/1185013549.db2.gz XNWKAGODUCUCTL-STQMWFEESA-N 0 3 323.824 2.315 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C/CN(C)CC(F)(F)F ZINC001448882572 1185446586 /nfs/dbraw/zinc/44/65/86/1185446586.db2.gz KKVCTBNNHYZJPL-BQYQJAHWSA-N 0 3 321.387 2.003 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2CCN(CC3CC3)CC2)n1C ZINC001121381708 782314207 /nfs/dbraw/zinc/31/42/07/782314207.db2.gz VTSSBWHQIKVXQO-UHFFFAOYSA-N 0 3 303.454 2.102 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC001072899595 790294063 /nfs/dbraw/zinc/29/40/63/790294063.db2.gz BXZUKFFHYGZVJQ-UHFFFAOYSA-N 0 3 302.393 2.479 20 30 DEEDHN C#CCCCCC(=O)N[C@H](CNCc1ccnn1C)C(C)(C)C ZINC001332785062 1149891663 /nfs/dbraw/zinc/89/16/63/1149891663.db2.gz DXLBMNVUTZFPOK-MRXNPFEDSA-N 0 3 318.465 2.234 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)Cc3ccc(C)o3)CC2)CC1 ZINC001333168382 1150010036 /nfs/dbraw/zinc/01/00/36/1150010036.db2.gz YJJMUNCLWYFMJM-UHFFFAOYSA-N 0 3 300.402 2.125 20 30 DEEDHN C/C=C(\C)C(=O)N(C)CCOCCNCC#Cc1ccccc1 ZINC001333201338 1150015037 /nfs/dbraw/zinc/01/50/37/1150015037.db2.gz CJVBSOJMSPYJAO-HAVNEIBRSA-N 0 3 314.429 2.069 20 30 DEEDHN C=C(C)[C@@H](CC(=O)OC[C@H]1CCN1C1CCOCC1)OCC ZINC001123247177 782921428 /nfs/dbraw/zinc/92/14/28/782921428.db2.gz HSPSTBKJQXVHMY-HZPDHXFCSA-N 0 3 311.422 2.154 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC001099280628 782966143 /nfs/dbraw/zinc/96/61/43/782966143.db2.gz IYWVHFJXEUJAFT-QAPCUYQASA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)c(Cl)c2)[C@@H](O)C1 ZINC001083746925 783017087 /nfs/dbraw/zinc/01/70/87/783017087.db2.gz CFGSWXOAOAHVIJ-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCOCC)C[C@@H](C)O2 ZINC001111537125 783019861 /nfs/dbraw/zinc/01/98/61/783019861.db2.gz PPMPYXUMOBZBDV-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(OC)ns2)CC(C)(C)C1 ZINC001089389064 783063781 /nfs/dbraw/zinc/06/37/81/783063781.db2.gz KCWCBALSZDHZCR-GFCCVEGCSA-N 0 3 321.446 2.005 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cnccc2C)CC(C)(C)C1 ZINC001089410922 783078454 /nfs/dbraw/zinc/07/84/54/783078454.db2.gz XDRZTVDOOMMOQM-KRWDZBQOSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)CC(C)(C)C1 ZINC001089411294 783078857 /nfs/dbraw/zinc/07/88/57/783078857.db2.gz FWHUCNVYSJYNGC-OAHLLOKOSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cn(C(C)C)cn2)CC(C)(C)C1 ZINC001089448237 783114037 /nfs/dbraw/zinc/11/40/37/783114037.db2.gz BULARNMBEXHCPT-HNNXBMFYSA-N 0 3 316.449 2.318 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncnc3ccsc32)C[C@@H]1C ZINC000947380166 783122092 /nfs/dbraw/zinc/12/20/92/783122092.db2.gz YNMITMQEISGXJI-NWDGAFQWSA-N 0 3 316.430 2.460 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@@H]1C ZINC000947404475 783127551 /nfs/dbraw/zinc/12/75/51/783127551.db2.gz PDOAQOFVSPDYRW-NWDGAFQWSA-N 0 3 314.389 2.037 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sc3nccn3c2C)C[C@@H]1C ZINC000947403936 783128220 /nfs/dbraw/zinc/12/82/20/783128220.db2.gz IZGANDFXLVAYHV-AAEUAGOBSA-N 0 3 318.446 2.473 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ncn(C)c32)C[C@@H]1C ZINC000947469008 783144953 /nfs/dbraw/zinc/14/49/53/783144953.db2.gz UOKJFTMMXUYZHS-KBPBESRZSA-N 0 3 312.417 2.342 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncn3ccc(C)cc23)C[C@@H]1C ZINC000947468731 783145160 /nfs/dbraw/zinc/14/51/60/783145160.db2.gz OQSHJHMRXQAOLB-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC000947489571 783150810 /nfs/dbraw/zinc/15/08/10/783150810.db2.gz WTWWGGLRGDUPKA-CHWSQXEVSA-N 0 3 302.422 2.057 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc3ncccc23)C[C@@H]1C ZINC000947536525 783164414 /nfs/dbraw/zinc/16/44/14/783164414.db2.gz HBPLALSTGAIWCQ-DOTOQJQBSA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C ZINC000947540853 783165857 /nfs/dbraw/zinc/16/58/57/783165857.db2.gz ZKTHIUBGMLBFCC-RHSMWYFYSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC=C(CNC(=O)COCCc2ccccc2)CC1 ZINC001333462415 1150053812 /nfs/dbraw/zinc/05/38/12/1150053812.db2.gz PYICVCNLWREKOP-UHFFFAOYSA-N 0 3 314.429 2.180 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnn3ccccc23)CC(C)(C)C1 ZINC001089518778 783179044 /nfs/dbraw/zinc/17/90/44/783179044.db2.gz GMHZUNONRGWVLA-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncccc2F)CC(C)(C)C1 ZINC001089529329 783185271 /nfs/dbraw/zinc/18/52/71/783185271.db2.gz RZVQTCIKOLZPRX-AWEZNQCLSA-N 0 3 317.408 2.464 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CC(C)(C)C1 ZINC001089533876 783192316 /nfs/dbraw/zinc/19/23/16/783192316.db2.gz KOVWTKYNPXUXTN-CQSZACIVSA-N 0 3 317.433 2.090 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)no2)CC(C)(C)C1 ZINC001089544588 783195395 /nfs/dbraw/zinc/19/53/95/783195395.db2.gz VVTJKNZTTXNTBJ-LLVKDONJSA-N 0 3 309.797 2.182 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCOC2)CC(C)(C)C1 ZINC001089562321 783205509 /nfs/dbraw/zinc/20/55/09/783205509.db2.gz BNMRDRUIIBTKAN-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ocnc2C2CC2)C[C@H]1C ZINC000947722252 783212611 /nfs/dbraw/zinc/21/26/11/783212611.db2.gz HENSLMHIPOUDDU-TZMCWYRMSA-N 0 3 301.390 2.158 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccncc2Cl)C[C@H]1C ZINC000947723279 783213705 /nfs/dbraw/zinc/21/37/05/783213705.db2.gz UMYFAWRXTZABTI-UKRRQHHQSA-N 0 3 319.836 2.270 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC23CCOCC3)CC(C)(C)C1 ZINC001089570235 783218820 /nfs/dbraw/zinc/21/88/20/783218820.db2.gz LJPKUBAEDHKQJX-HZPDHXFCSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)C1 ZINC001073039519 790411034 /nfs/dbraw/zinc/41/10/34/790411034.db2.gz UWEOUKAQDVBOJH-UHFFFAOYSA-N 0 3 315.417 2.245 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](O)C1 ZINC001090654069 790421341 /nfs/dbraw/zinc/42/13/41/790421341.db2.gz FFLWZGAJTJQUJH-HOTGVXAUSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001073069302 790430299 /nfs/dbraw/zinc/43/02/99/790430299.db2.gz IKGNCBWPJBIFFT-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)s1 ZINC001125292451 776589965 /nfs/dbraw/zinc/58/99/65/776589965.db2.gz QXJJJLRMBKDHKL-FICVDOATSA-N 0 3 303.431 2.262 20 30 DEEDHN N=C(Nc1ccc2c(n1)CNCC2)c1ccc2ccccc2n1 ZINC001171039779 790472657 /nfs/dbraw/zinc/47/26/57/790472657.db2.gz AADALIIFDFXPJU-UHFFFAOYSA-N 0 3 303.369 2.313 20 30 DEEDHN COc1cc2cc(C#N)c(N[C@H]3CCN(C)C3)nc2cc1OC ZINC001167270535 776817078 /nfs/dbraw/zinc/81/70/78/776817078.db2.gz XRZXZGJOEQSZSU-ZDUSSCGKSA-N 0 3 312.373 2.240 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC001073146229 790487522 /nfs/dbraw/zinc/48/75/22/790487522.db2.gz HQULIAAFEQVGOO-UHFFFAOYSA-N 0 3 321.424 2.268 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCC)C1 ZINC001207062880 776949157 /nfs/dbraw/zinc/94/91/57/776949157.db2.gz HQXZXOKJCFSRGB-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1cc(C(=O)NCCCNCc2ccccc2C#N)c(C)[nH]1 ZINC001167370046 776958796 /nfs/dbraw/zinc/95/87/96/776958796.db2.gz WJDHLEAEQJONNL-UHFFFAOYSA-N 0 3 310.401 2.413 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001111488824 777025044 /nfs/dbraw/zinc/02/50/44/777025044.db2.gz WNRMIIBCJNXVSM-VQHPVUNQSA-N 0 3 324.465 2.114 20 30 DEEDHN CCc1oncc1C(=O)NCCCNCc1ccccc1C#N ZINC001167462228 777108701 /nfs/dbraw/zinc/10/87/01/777108701.db2.gz JFWBJBDFIIOYQQ-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2c(C)n[nH]c2C)CC1 ZINC001167471161 777121646 /nfs/dbraw/zinc/12/16/46/777121646.db2.gz YMMZRXXUYJJKNM-UHFFFAOYSA-N 0 3 310.829 2.269 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2cnoc2C)C1 ZINC001100590661 777369008 /nfs/dbraw/zinc/36/90/08/777369008.db2.gz AKFMASWEBKVRHP-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H](O)C1 ZINC001090790240 790540926 /nfs/dbraw/zinc/54/09/26/790540926.db2.gz LRVCWNNSCOQKLM-SJORKVTESA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)C1CC1)C[C@H](C)O2 ZINC001098580709 777592826 /nfs/dbraw/zinc/59/28/26/777592826.db2.gz RXLLEWKRIWVGPG-GJZGRUSLSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCc3cccs3)[C@H]2C1 ZINC001083270648 777754706 /nfs/dbraw/zinc/75/47/06/777754706.db2.gz QUPORYFPPGOPQJ-JKSUJKDBSA-N 0 3 320.458 2.168 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC4(CC4)C3)C(C)(C)[C@@H]21 ZINC001087302990 777755560 /nfs/dbraw/zinc/75/55/60/777755560.db2.gz DTDZHNPWXLPZIO-BZUAXINKSA-N 0 3 300.446 2.415 20 30 DEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1ccnc2c1ccn2C ZINC001171072747 790563338 /nfs/dbraw/zinc/56/33/38/790563338.db2.gz UHYUQVFQZKISMX-AWEZNQCLSA-N 0 3 316.405 2.212 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccnc(C)c3)C(C)(C)[C@H]21 ZINC001087309300 777768649 /nfs/dbraw/zinc/76/86/49/777768649.db2.gz DUKSLWAFHFQXCG-ZACQAIPSSA-N 0 3 311.429 2.242 20 30 DEEDHN CCc1nc(C#N)c(-n2nc(CN)c3ccccc32)nc1Cl ZINC001167695685 777870755 /nfs/dbraw/zinc/87/07/55/777870755.db2.gz OQKHDQAKILEFSN-UHFFFAOYSA-N 0 3 312.764 2.362 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1C ZINC001104855969 778215957 /nfs/dbraw/zinc/21/59/57/778215957.db2.gz ZIKOUSJJCXAOQQ-GZBFAFLISA-N 0 3 316.873 2.486 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)OCC(C)C)C[C@H]1C(F)(F)F ZINC001112058034 778222361 /nfs/dbraw/zinc/22/23/61/778222361.db2.gz WSCWQZPKVQBJOA-YNEHKIRRSA-N 0 3 322.371 2.212 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001073339743 790605841 /nfs/dbraw/zinc/60/58/41/790605841.db2.gz DRJCGXWIBNMLND-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001104954861 778273933 /nfs/dbraw/zinc/27/39/33/778273933.db2.gz WYPNQLWBVZZUGW-BXUZGUMPSA-N 0 3 324.856 2.087 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1c1ccc(OC)cc1 ZINC001090867289 790625748 /nfs/dbraw/zinc/62/57/48/790625748.db2.gz HRUIEBXWFNXCKO-TZEOJJGLSA-N 0 3 312.413 2.179 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)Oc3ccccc3)C2)C1 ZINC001073401234 790637022 /nfs/dbraw/zinc/63/70/22/790637022.db2.gz GSDDSQCSYRUDJG-OAHLLOKOSA-N 0 3 300.402 2.174 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1ccc(OC)cc1 ZINC001090881719 790637255 /nfs/dbraw/zinc/63/72/55/790637255.db2.gz MVVYOWAWVHUCJA-RCCFBDPRSA-N 0 3 324.424 2.013 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](n2cc(CNC[C@@H](C)CC)nn2)C1 ZINC001098632225 778639524 /nfs/dbraw/zinc/63/95/24/778639524.db2.gz AIJKCVTYBQBFMH-GOEBONIOSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3cccc(Cl)c3)C2)C1 ZINC001073413479 790642991 /nfs/dbraw/zinc/64/29/91/790642991.db2.gz YWQUHVBWPFFCJM-UHFFFAOYSA-N 0 3 320.820 2.439 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c3ccccc3nn1C)C2 ZINC001098155262 778698439 /nfs/dbraw/zinc/69/84/39/778698439.db2.gz FSAIWEYQUJUPBU-XYPHTWIQSA-N 0 3 324.428 2.485 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@@H](C)C1)CCO2 ZINC000949205643 778778123 /nfs/dbraw/zinc/77/81/23/778778123.db2.gz ZJSYHKOBXLFGQT-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN CN1CCN(Cc2ccc(Nc3ccc(C#N)nc3)cc2)CC1 ZINC001204733547 778943264 /nfs/dbraw/zinc/94/32/64/778943264.db2.gz CDNYWENLBQAKEK-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCSC)CC1 ZINC001105386391 779234470 /nfs/dbraw/zinc/23/44/70/779234470.db2.gz BOEGPTNBGHDYSY-KRWDZBQOSA-N 0 3 320.502 2.466 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc3cccnc3c2)[C@H]1CC ZINC001087620481 779380885 /nfs/dbraw/zinc/38/08/85/779380885.db2.gz GWPMSRVNUYOHGG-PKOBYXMFSA-N 0 3 321.424 2.380 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2COc3ccccc3C2)[C@H]1CC ZINC001087649540 779396704 /nfs/dbraw/zinc/39/67/04/779396704.db2.gz RQCJNVAWVDWDTL-IXDOHACOSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn3ccnc3c2)[C@H]1CC ZINC001087655858 779396956 /nfs/dbraw/zinc/39/69/56/779396956.db2.gz YSHZVGDOVQWIDZ-JKSUJKDBSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nc3c(s2)CCC3)[C@H]1CC ZINC001087658429 779399267 /nfs/dbraw/zinc/39/92/67/779399267.db2.gz CUFHVZUDRXTHEY-GXTWGEPZSA-N 0 3 317.458 2.238 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCn3cccn3)[C@@H]2CC)C1 ZINC001087714230 779419984 /nfs/dbraw/zinc/41/99/84/779419984.db2.gz BTRJPMDIGQGSLV-JKSUJKDBSA-N 0 3 316.449 2.209 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)[C@H]1CC ZINC001087712778 779420391 /nfs/dbraw/zinc/42/03/91/779420391.db2.gz AJJUYRQQMYWBMS-UONOGXRCSA-N 0 3 318.465 2.486 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2oc(CC)nc2C)[C@H]1CC ZINC001087784581 779452234 /nfs/dbraw/zinc/45/22/34/779452234.db2.gz MJSVCPJCAJBMIZ-UONOGXRCSA-N 0 3 303.406 2.151 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(OC)cc(OC)c2)[C@H]1CC ZINC001087808837 779461533 /nfs/dbraw/zinc/46/15/33/779461533.db2.gz MBBJNPBPVSGETO-DLBZAZTESA-N 0 3 318.417 2.473 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(OC)c2)[C@H]1CC ZINC001087818447 779466271 /nfs/dbraw/zinc/46/62/71/779466271.db2.gz TZJHGUWGJRJTQK-ZWKOTPCHSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2n[nH]c3ccccc23)[C@H]1CC ZINC001087839717 779478550 /nfs/dbraw/zinc/47/85/50/779478550.db2.gz QJCUGIKMGXVHJG-DOTOQJQBSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c[nH]c3ncccc23)[C@H]1CC ZINC001087843060 779481368 /nfs/dbraw/zinc/48/13/68/779481368.db2.gz BBBKVSPMQWKTQJ-JKSUJKDBSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001073515054 790707520 /nfs/dbraw/zinc/70/75/20/790707520.db2.gz KXPKVJSNQZOTJY-AWEZNQCLSA-N 0 3 308.447 2.453 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@@H]2C1 ZINC001087881460 779512116 /nfs/dbraw/zinc/51/21/16/779512116.db2.gz FTXOOOQHORPSDD-CVEARBPZSA-N 0 3 300.402 2.314 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211886018 779556439 /nfs/dbraw/zinc/55/64/39/779556439.db2.gz BQRMVLGBHNMDFZ-RBSFLKMASA-N 0 3 314.495 2.298 20 30 DEEDHN O=C(C#CC1CC1)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087961721 779573831 /nfs/dbraw/zinc/57/38/31/779573831.db2.gz HGNQDMFDAAKOSV-KGLIPLIRSA-N 0 3 314.351 2.133 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001073552939 790721136 /nfs/dbraw/zinc/72/11/36/790721136.db2.gz YVAXMWNQJNWKGW-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(F)cc3F)C[C@@H]2C1 ZINC001088008288 779629241 /nfs/dbraw/zinc/62/92/41/779629241.db2.gz GWUUNTWUAPECIE-KGLIPLIRSA-N 0 3 318.367 2.300 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4oc(C)nc4c3)C[C@@H]2C1 ZINC001088008418 779629707 /nfs/dbraw/zinc/62/97/07/779629707.db2.gz NDKDCTVOYORHBK-CVEARBPZSA-N 0 3 323.396 2.163 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4cccnc43)C[C@@H]2C1 ZINC001088030589 779646673 /nfs/dbraw/zinc/64/66/73/779646673.db2.gz XOFNTXNLAKSIII-SJORKVTESA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(F)cc(C)cc3F)C[C@@H]2C1 ZINC001088035585 779648017 /nfs/dbraw/zinc/64/80/17/779648017.db2.gz RUSIVVIUCPZPID-KGLIPLIRSA-N 0 3 318.367 2.300 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cncc(CC)c3)C[C@@H]2C1 ZINC001088041681 779650932 /nfs/dbraw/zinc/65/09/32/779650932.db2.gz DJGGOIIOOUDLKZ-AEFFLSMTSA-N 0 3 311.429 2.061 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@@H]2C1 ZINC001088048943 779655707 /nfs/dbraw/zinc/65/57/07/779655707.db2.gz JBVZXBWRTKMSKQ-SJORKVTESA-N 0 3 311.429 2.116 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccs3)C[C@@H]2C1 ZINC001088103017 779702984 /nfs/dbraw/zinc/70/29/84/779702984.db2.gz GQKAYMRKCUVDQS-ZNMIVQPWSA-N 0 3 302.443 2.265 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(F)c(F)c(F)c3)C[C@@H]2C1 ZINC001088116841 779711338 /nfs/dbraw/zinc/71/13/38/779711338.db2.gz UOLXVGNJMARUNJ-YPMHNXCESA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc([C@@H](C)CC)no3)C[C@@H]2C1 ZINC001088133109 779720044 /nfs/dbraw/zinc/72/00/44/779720044.db2.gz RTKNFXMOASKPBF-ZNMIVQPWSA-N 0 3 315.417 2.215 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(CC#CC)C[C@H]2C1 ZINC001088183331 779761799 /nfs/dbraw/zinc/76/17/99/779761799.db2.gz AWVPXMZGAJMOQO-UXHICEINSA-N 0 3 320.436 2.014 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)CC3CC3)CC2)C1 ZINC001088228188 779783299 /nfs/dbraw/zinc/78/32/99/779783299.db2.gz KMXSIUCXNCQAJA-GOSISDBHSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001088231828 779787553 /nfs/dbraw/zinc/78/75/53/779787553.db2.gz BIGOGOROECQQGN-VIHDGPTJSA-N 0 3 318.461 2.305 20 30 DEEDHN COc1ccc(CNCCNC(=O)C2CC(C)(C)C2)cc1C#N ZINC001126601776 779826530 /nfs/dbraw/zinc/82/65/30/779826530.db2.gz PDIUPMHZHKTFNS-UHFFFAOYSA-N 0 3 315.417 2.209 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cnccn2)C1 ZINC001088254855 779836620 /nfs/dbraw/zinc/83/66/20/779836620.db2.gz YUBVGFWNLAKHAU-CYBMUJFWSA-N 0 3 308.813 2.204 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001088256015 779839407 /nfs/dbraw/zinc/83/94/07/779839407.db2.gz CSLLCTOCLXSNJN-HNNXBMFYSA-N 0 3 323.824 2.047 20 30 DEEDHN Cc1cccnc1CN[C@@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088281729 779903490 /nfs/dbraw/zinc/90/34/90/779903490.db2.gz SBMORTGNOHNMPZ-HZPDHXFCSA-N 0 3 314.433 2.411 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC001088292616 779915920 /nfs/dbraw/zinc/91/59/20/779915920.db2.gz BVAJWYUZHLIQDY-CQSZACIVSA-N 0 3 324.856 2.374 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001073620597 790747148 /nfs/dbraw/zinc/74/71/48/790747148.db2.gz JBODKOJNXDXETK-HNNXBMFYSA-N 0 3 320.458 2.209 20 30 DEEDHN O=C(C#CC1CC1)N1CCCCC[C@@H](NCc2cncs2)C1 ZINC001088311200 779934622 /nfs/dbraw/zinc/93/46/22/779934622.db2.gz QTUAISRIWDDTGE-OAHLLOKOSA-N 0 3 317.458 2.417 20 30 DEEDHN CN1c2ccccc2[C@@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001144079664 790747596 /nfs/dbraw/zinc/74/75/96/790747596.db2.gz APZOKMZZMFSVJE-IBGZPJMESA-N 0 3 318.380 2.073 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2c(C)cnn2C)C1 ZINC001088365462 780032864 /nfs/dbraw/zinc/03/28/64/780032864.db2.gz LTSDBOWENQVMDA-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cn2nccc2C)C1 ZINC001088391001 780062659 /nfs/dbraw/zinc/06/26/59/780062659.db2.gz ALKFVHBIKJZFOB-HNNXBMFYSA-N 0 3 324.856 2.305 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N1CCCCC[C@@H](NCC#N)C1 ZINC001088394434 780069177 /nfs/dbraw/zinc/06/91/77/780069177.db2.gz GLYHHHIMWRQDEM-SJORKVTESA-N 0 3 320.481 2.134 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CN(CC)CCCO2)cc1 ZINC001073664731 790777901 /nfs/dbraw/zinc/77/79/01/790777901.db2.gz NUWWSHQUHSLCKG-QGZVFWFLSA-N 0 3 318.417 2.092 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2ccc(C#N)cn2)C[C@H]1c1ccccc1 ZINC001144169398 790791651 /nfs/dbraw/zinc/79/16/51/790791651.db2.gz ILVVJPWVYWPJRM-ROUUACIJSA-N 0 3 321.380 2.342 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001091004835 790798159 /nfs/dbraw/zinc/79/81/59/790798159.db2.gz QCLGIJTYOLZWRR-MOKVOYLWSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2Cc3ccccc3O2)[C@H]1C ZINC001088586714 780548685 /nfs/dbraw/zinc/54/86/85/780548685.db2.gz HOKUNDVHCYXOED-KBMXLJTQSA-N 0 3 300.402 2.145 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@H]1C ZINC001088595153 780564569 /nfs/dbraw/zinc/56/45/69/780564569.db2.gz QUIMUJHHIKIWBH-NEPJUHHUSA-N 0 3 312.364 2.355 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc4[nH]ccc4c3)[C@@H]2C1 ZINC001075914809 780596675 /nfs/dbraw/zinc/59/66/75/780596675.db2.gz KYNYTXYURFHMFE-GOEBONIOSA-N 0 3 310.401 2.237 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2conc2C)C1 ZINC001100259853 790808464 /nfs/dbraw/zinc/80/84/64/790808464.db2.gz WCQHZAGWTNBZST-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCN(C(=O)/C(C)=C/C)C2)nn1 ZINC001098648976 780695430 /nfs/dbraw/zinc/69/54/30/780695430.db2.gz IRODMQVBOFBVDH-RNDAEWJDSA-N 0 3 317.437 2.074 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)c(OC)c2)[C@H]1C ZINC001088725849 780918219 /nfs/dbraw/zinc/91/82/19/780918219.db2.gz DHGCKNBAWYNGKT-ZBFHGGJFSA-N 0 3 302.418 2.311 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(OCC)n2)[C@H]1C ZINC001088759899 780960079 /nfs/dbraw/zinc/96/00/79/780960079.db2.gz ZAESTUZGPFYMRD-ZBFHGGJFSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3F)[C@@H]2C1 ZINC001076001156 781019925 /nfs/dbraw/zinc/01/99/25/781019925.db2.gz RHSAUKSMQUEJHY-SUMWQHHRSA-N 0 3 316.376 2.004 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)C(C)=C1CCC1 ZINC001126899444 781049823 /nfs/dbraw/zinc/04/98/23/781049823.db2.gz RLFQKGGZGDZODI-HNNXBMFYSA-N 0 3 321.465 2.006 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(F)ccc3OC)[C@@H]2C1 ZINC001076108334 781124946 /nfs/dbraw/zinc/12/49/46/781124946.db2.gz KETSYOMOKNKDAJ-XJKSGUPXSA-N 0 3 316.376 2.004 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001073776117 790862945 /nfs/dbraw/zinc/86/29/45/790862945.db2.gz AYMUYCGRQJDJGG-IXDOHACOSA-N 0 3 308.466 2.452 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)cn1 ZINC001076477093 781280061 /nfs/dbraw/zinc/28/00/61/781280061.db2.gz PJCNREJVXMNKPX-FUHWJXTLSA-N 0 3 309.413 2.175 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001076531089 781299323 /nfs/dbraw/zinc/29/93/23/781299323.db2.gz TWGJHTADNXZKEW-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)[C@@H]2C1 ZINC001076534328 781306927 /nfs/dbraw/zinc/30/69/27/781306927.db2.gz PGOXGNRDAZCLEW-LSDHHAIUSA-N 0 3 314.454 2.406 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3csc(CC)n3)[C@@H]2C1 ZINC001076604042 781320639 /nfs/dbraw/zinc/32/06/39/781320639.db2.gz JNFCEIHXOHHCAS-DZGCQCFKSA-N 0 3 319.474 2.357 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001077094453 781484844 /nfs/dbraw/zinc/48/48/44/781484844.db2.gz DQEAYGKYNICZPI-IAGOWNOFSA-N 0 3 302.418 2.161 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001126960060 781485038 /nfs/dbraw/zinc/48/50/38/781485038.db2.gz MQWGXHHVWHMTNP-HZPDHXFCSA-N 0 3 303.381 2.292 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001077325287 781548428 /nfs/dbraw/zinc/54/84/28/781548428.db2.gz XGBUETLTTURZDZ-HUUCEWRRSA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccccc2CCC)[C@@H](O)C1 ZINC001083627811 781657857 /nfs/dbraw/zinc/65/78/57/781657857.db2.gz QOONNXAONUGAOZ-MSOLQXFVSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001060265285 781754424 /nfs/dbraw/zinc/75/44/24/781754424.db2.gz LDYZKWFFVRDYDT-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)sn2)[C@H](OC)C1 ZINC001212175251 781861907 /nfs/dbraw/zinc/86/19/07/781861907.db2.gz KWININOAEBRRFJ-NILFDRSVSA-N 0 3 323.462 2.235 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001073866835 790924106 /nfs/dbraw/zinc/92/41/06/790924106.db2.gz GOBQPWDENKAANM-MRXNPFEDSA-N 0 3 320.820 2.184 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CC(C)C)c2)C[C@@H]1C ZINC000947861145 783249189 /nfs/dbraw/zinc/24/91/89/783249189.db2.gz GGQIFASCMPQRNB-GOEBONIOSA-N 0 3 304.438 2.308 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2coc(CC3CC3)n2)C[C@@H]1C ZINC000947878733 783253671 /nfs/dbraw/zinc/25/36/71/783253671.db2.gz RJVHIWJJPBZJDT-JSGCOSHPSA-N 0 3 303.406 2.396 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2CCCCO2)CC1 ZINC000948291260 783412894 /nfs/dbraw/zinc/41/28/94/783412894.db2.gz WGXSVUWSGLSQEG-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089776875 783425299 /nfs/dbraw/zinc/42/52/99/783425299.db2.gz HTOCRALCXRJOCY-SVGFKBNWSA-N 0 3 312.413 2.361 20 30 DEEDHN C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089776875 783425306 /nfs/dbraw/zinc/42/53/06/783425306.db2.gz HTOCRALCXRJOCY-SVGFKBNWSA-N 0 3 312.413 2.361 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c[nH]c(CC(C)C)n2)CC1 ZINC000948372430 783443544 /nfs/dbraw/zinc/44/35/44/783443544.db2.gz FFGKZDXWDOTQOP-OAHLLOKOSA-N 0 3 316.449 2.168 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccn3ccccc23)CC1 ZINC000948608360 783524863 /nfs/dbraw/zinc/52/48/63/783524863.db2.gz OFIZKMSUPXYRSI-INIZCTEOSA-N 0 3 309.413 2.499 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001073904953 790950027 /nfs/dbraw/zinc/95/00/27/790950027.db2.gz QWCJABOYXVCZMR-OAHLLOKOSA-N 0 3 318.417 2.247 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccco3)C2)s1 ZINC000966265358 783612956 /nfs/dbraw/zinc/61/29/56/783612956.db2.gz KHTOTURRCFDQQL-LLVKDONJSA-N 0 3 301.371 2.217 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(C)n1 ZINC001085426684 783676718 /nfs/dbraw/zinc/67/67/18/783676718.db2.gz SKYAHFJPMMIXTA-CHWSQXEVSA-N 0 3 308.813 2.168 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621307 783892186 /nfs/dbraw/zinc/89/21/86/783892186.db2.gz MPCUNLAMDGYSFB-LBPRGKRZSA-N 0 3 309.360 2.472 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208990 783905336 /nfs/dbraw/zinc/90/53/36/783905336.db2.gz SKOHYVFHANSLEQ-WMLDXEAASA-N 0 3 324.428 2.335 20 30 DEEDHN CC[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000967237653 783909129 /nfs/dbraw/zinc/90/91/29/783909129.db2.gz VGFXRLATUHIGSK-IUODEOHRSA-N 0 3 303.381 2.434 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000967285525 783930663 /nfs/dbraw/zinc/93/06/63/783930663.db2.gz VZHUIVNDOAMNNO-TZMCWYRMSA-N 0 3 307.825 2.142 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967287810 783933935 /nfs/dbraw/zinc/93/39/35/783933935.db2.gz ISDFZTROHZCOCH-RDJZCZTQSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(C)CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC000967401478 783980553 /nfs/dbraw/zinc/98/05/53/783980553.db2.gz BVAKGXYJDQMOEC-ZIAGYGMSSA-N 0 3 321.421 2.480 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001085739079 784026484 /nfs/dbraw/zinc/02/64/84/784026484.db2.gz CTGCGFBFYDQTDE-ARFHVFGLSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(CCC)n[nH]1 ZINC001085754578 784037807 /nfs/dbraw/zinc/03/78/07/784037807.db2.gz KCMBQTNIKJSLCW-HNNXBMFYSA-N 0 3 304.438 2.475 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(CCC)n[nH]1 ZINC001085754579 784038896 /nfs/dbraw/zinc/03/88/96/784038896.db2.gz KCMBQTNIKJSLCW-OAHLLOKOSA-N 0 3 304.438 2.475 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nn(C)c(C)c1Cl ZINC001085849001 784133176 /nfs/dbraw/zinc/13/31/76/784133176.db2.gz MJBDLJDVYVXLLH-ZDUSSCGKSA-N 0 3 324.856 2.494 20 30 DEEDHN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873553 784162255 /nfs/dbraw/zinc/16/22/55/784162255.db2.gz DRWYKINZRICANM-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C(C)(C)C ZINC001085878792 784172195 /nfs/dbraw/zinc/17/21/95/784172195.db2.gz MYOSMXQMYPFZJG-AWEZNQCLSA-N 0 3 318.465 2.440 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968325675 784289616 /nfs/dbraw/zinc/28/96/16/784289616.db2.gz AWPFRSRBRYYRRB-HOCLYGCPSA-N 0 3 301.434 2.051 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC000968331065 784294196 /nfs/dbraw/zinc/29/41/96/784294196.db2.gz JODFOENPERRBQE-WMLDXEAASA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001085997005 784296519 /nfs/dbraw/zinc/29/65/19/784296519.db2.gz FNMRLPWNYAYSEW-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1csc(COC)n1 ZINC001085997461 784298495 /nfs/dbraw/zinc/29/84/95/784298495.db2.gz RQHHEZMAYMGSPD-ZDUSSCGKSA-N 0 3 323.462 2.402 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCCCC(C)C)[C@H](O)C1 ZINC001100024602 784359090 /nfs/dbraw/zinc/35/90/90/784359090.db2.gz MQICRRZIEUZTTP-IAGOWNOFSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC000968408236 784366485 /nfs/dbraw/zinc/36/64/85/784366485.db2.gz BYOYMHKEPUGVOB-KBXCAEBGSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC000968418826 784373119 /nfs/dbraw/zinc/37/31/19/784373119.db2.gz OXCYUTVPLUGDRM-PBHICJAKSA-N 0 3 314.429 2.467 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000968433140 784383570 /nfs/dbraw/zinc/38/35/70/784383570.db2.gz ZQAXBHYDDLASMB-BXUZGUMPSA-N 0 3 303.431 2.356 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2OC)C1 ZINC000968580397 784476615 /nfs/dbraw/zinc/47/66/15/784476615.db2.gz VRWTZAHRKRRIBU-HOCLYGCPSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC000968623558 784507647 /nfs/dbraw/zinc/50/76/47/784507647.db2.gz ITZBNTNGMNKKDM-KDOFPFPSSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000968757666 784576263 /nfs/dbraw/zinc/57/62/63/784576263.db2.gz AOSZFMMAHZNBON-HNNXBMFYSA-N 0 3 304.438 2.279 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)COc2cccc(C(C)C)c2)C1 ZINC000968765688 784580939 /nfs/dbraw/zinc/58/09/39/784580939.db2.gz LZKCTILQPYAVTA-MRXNPFEDSA-N 0 3 300.402 2.013 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC000968884742 784635311 /nfs/dbraw/zinc/63/53/11/784635311.db2.gz BEAPYZWIYGPDDD-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ncccc2CC)C1 ZINC001086410534 784689739 /nfs/dbraw/zinc/68/97/39/784689739.db2.gz BEEWTLMXPADNDJ-MQMHXKEQSA-N 0 3 307.825 2.495 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000745234701 784701623 /nfs/dbraw/zinc/70/16/23/784701623.db2.gz CHYVLQQLKWTNNS-IBGZPJMESA-N 0 3 323.440 2.492 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC000969093135 784724250 /nfs/dbraw/zinc/72/42/50/784724250.db2.gz GIPJXYSBHNLUHV-OAHLLOKOSA-N 0 3 319.453 2.328 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccc(OC)nn1 ZINC000969103550 784728895 /nfs/dbraw/zinc/72/88/95/784728895.db2.gz XLKNZPREHZLZCC-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001086511244 784814681 /nfs/dbraw/zinc/81/46/81/784814681.db2.gz DLGHBUORKUVJRR-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001007355687 784897141 /nfs/dbraw/zinc/89/71/41/784897141.db2.gz DWHBIFIQOVOHFN-AWEZNQCLSA-N 0 3 302.422 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc(OC)cc2C)C1 ZINC001007414235 784912366 /nfs/dbraw/zinc/91/23/66/784912366.db2.gz ZFRQYMNEGYEGRY-QGZVFWFLSA-N 0 3 314.429 2.150 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001007458539 784925649 /nfs/dbraw/zinc/92/56/49/784925649.db2.gz YNDUYIUUCOVSCX-CABCVRRESA-N 0 3 313.873 2.194 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001007477693 784930066 /nfs/dbraw/zinc/93/00/66/784930066.db2.gz OMCRHQLQRWPNBK-MRXNPFEDSA-N 0 3 322.412 2.294 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001007491240 784933882 /nfs/dbraw/zinc/93/38/82/784933882.db2.gz BCPANHHTXZGSPY-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cncc3ccccc32)C1 ZINC001007527826 784943491 /nfs/dbraw/zinc/94/34/91/784943491.db2.gz PHQMFVGHGAIZDJ-GOSISDBHSA-N 0 3 321.424 2.381 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2COC)C1 ZINC001007775191 784999773 /nfs/dbraw/zinc/99/97/73/784999773.db2.gz KZDURMGMHHMCOM-INIZCTEOSA-N 0 3 300.402 2.051 20 30 DEEDHN C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001169235794 785104872 /nfs/dbraw/zinc/10/48/72/785104872.db2.gz CSDFIDJBFSKYGN-OAHLLOKOSA-N 0 3 320.433 2.473 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001008115452 785110472 /nfs/dbraw/zinc/11/04/72/785110472.db2.gz LFOINTGEXDDLDA-HNNXBMFYSA-N 0 3 323.396 2.158 20 30 DEEDHN CCOC(=O)[C@@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2)CO1 ZINC001169414860 785179851 /nfs/dbraw/zinc/17/98/51/785179851.db2.gz BTNDOYBEHYPVSH-CVEARBPZSA-N 0 3 302.374 2.101 20 30 DEEDHN CN(C)/C=N/c1ccc(NC[C@H](O)C(F)(F)F)cc1C#N ZINC001169460080 785205988 /nfs/dbraw/zinc/20/59/88/785205988.db2.gz ZYJYNZWBKKZQNV-KEGHGJGQSA-N 0 3 300.284 2.115 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(C[C@H]3CCCCO3)C2)C1 ZINC001008466084 785211557 /nfs/dbraw/zinc/21/15/57/785211557.db2.gz UVGAXPFDXRGMPT-HZPDHXFCSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1C[C@]1(C)CC ZINC001169754062 785349947 /nfs/dbraw/zinc/34/99/47/785349947.db2.gz LREQVSBROPWXNR-AAEUAGOBSA-N 0 3 303.244 2.427 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C(C)(C)CCOC ZINC001169857085 785392283 /nfs/dbraw/zinc/39/22/83/785392283.db2.gz XGVZTBRXXUYCHX-UHFFFAOYSA-N 0 3 321.259 2.054 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(OC)cccc2OC)C1 ZINC001009327705 785429521 /nfs/dbraw/zinc/42/95/21/785429521.db2.gz MUMQQXQIGLXFKJ-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccoc1)C2 ZINC001109140947 785724872 /nfs/dbraw/zinc/72/48/72/785724872.db2.gz IUGUOFDNAXRRIS-IKGGRYGDSA-N 0 3 318.417 2.136 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)C3CCC3)c2)C1 ZINC001091401499 791149558 /nfs/dbraw/zinc/14/95/58/791149558.db2.gz AMDOLDKBUDDZFI-QGZVFWFLSA-N 0 3 315.417 2.137 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCC[C@H](C)O)C1 ZINC001109696937 785989340 /nfs/dbraw/zinc/98/93/40/785989340.db2.gz PREQRINWAWGLLO-FZKCQIBNSA-N 0 3 306.450 2.225 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H](O)C1 ZINC001090433291 786128263 /nfs/dbraw/zinc/12/82/63/786128263.db2.gz PNESHKSTWRGCNY-JKSUJKDBSA-N 0 3 306.450 2.084 20 30 DEEDHN C#CCCCCC(=O)N1CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC001112774481 786218898 /nfs/dbraw/zinc/21/88/98/786218898.db2.gz YZJWNHPWRNQBCU-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001014672340 786694859 /nfs/dbraw/zinc/69/48/59/786694859.db2.gz IELFFGVSUIRPQU-AEFFLSMTSA-N 0 3 313.445 2.422 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001014726224 786726826 /nfs/dbraw/zinc/72/68/26/786726826.db2.gz FDBZXKMMLALMGW-INIZCTEOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001014890360 786794294 /nfs/dbraw/zinc/79/42/94/786794294.db2.gz LAGNBKDSOGRLQO-IRXDYDNUSA-N 0 3 313.445 2.280 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001157710191 786878067 /nfs/dbraw/zinc/87/80/67/786878067.db2.gz ASTHQNNNFUPEHU-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001015150559 786916503 /nfs/dbraw/zinc/91/65/03/786916503.db2.gz VQIMHQZXGZUXAM-MRXNPFEDSA-N 0 3 302.418 2.313 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1cc(C)n(C)n1 ZINC001170426285 787029495 /nfs/dbraw/zinc/02/94/95/787029495.db2.gz WBQQOGGLKDRSIR-OAHLLOKOSA-N 0 3 318.465 2.297 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCOc3ccc(F)cc3)C[C@H]21 ZINC001114028283 787060749 /nfs/dbraw/zinc/06/07/49/787060749.db2.gz QHRIUFQDPVNEAI-VQFNDLOPSA-N 0 3 318.392 2.217 20 30 DEEDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001170433178 787106833 /nfs/dbraw/zinc/10/68/33/787106833.db2.gz XUIMEOODSXLRFD-KBPBESRZSA-N 0 3 322.405 2.246 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)c1 ZINC001015678759 787183647 /nfs/dbraw/zinc/18/36/47/787183647.db2.gz MZQGTSBJOQTVRA-SFHVURJKSA-N 0 3 309.413 2.367 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001015693466 787186244 /nfs/dbraw/zinc/18/62/44/787186244.db2.gz YUIWBKJDMOWJGW-MRXNPFEDSA-N 0 3 302.393 2.317 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)cc1)c1ccncc1 ZINC001130195196 787311523 /nfs/dbraw/zinc/31/15/23/787311523.db2.gz NGKDYUWWQODLFY-HNNXBMFYSA-N 0 3 322.412 2.353 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCSCC)C1 ZINC001130352690 787358480 /nfs/dbraw/zinc/35/84/80/787358480.db2.gz WRZONOKZZOFSCH-ZDUSSCGKSA-N 0 3 322.478 2.144 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C#CC(C)(C)C)C1 ZINC001130389573 787375186 /nfs/dbraw/zinc/37/51/86/787375186.db2.gz VVZGEUREOQQCEX-AWEZNQCLSA-N 0 3 314.433 2.051 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCC(F)F)C1 ZINC001130405746 787378648 /nfs/dbraw/zinc/37/86/48/787378648.db2.gz NLTVDOHVUOXSTP-LLVKDONJSA-N 0 3 312.364 2.047 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)C(C)C)C1 ZINC001130431472 787391652 /nfs/dbraw/zinc/39/16/52/787391652.db2.gz YGKQKXAJTBQIBA-KGLIPLIRSA-N 0 3 304.438 2.293 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)c2cccs2)[C@H](O)C1 ZINC001090490069 787455105 /nfs/dbraw/zinc/45/51/05/787455105.db2.gz QRAQYIGGNYFZEZ-ZIAGYGMSSA-N 0 3 322.474 2.153 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001096045367 787467847 /nfs/dbraw/zinc/46/78/47/787467847.db2.gz VOOTULIKVUZHIM-WKULXVSPSA-N 0 3 311.429 2.483 20 30 DEEDHN COCC#CCNCCNC(=O)c1sc2ccccc2c1C ZINC001131041399 787532722 /nfs/dbraw/zinc/53/27/22/787532722.db2.gz ZXGYWXDKOMVVCN-UHFFFAOYSA-N 0 3 316.426 2.179 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001086658688 787553797 /nfs/dbraw/zinc/55/37/97/787553797.db2.gz UPWSCVNYBBNTCJ-WCQYABFASA-N 0 3 311.788 2.461 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccc1N(C)C)C2 ZINC001096363677 787635383 /nfs/dbraw/zinc/63/53/83/787635383.db2.gz BHWNDVGQDWTGCU-KMFMINBZSA-N 0 3 314.433 2.059 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(C1)CN(C(=O)C#CC(C)C)C[C@H](C)O2 ZINC001131661206 787673813 /nfs/dbraw/zinc/67/38/13/787673813.db2.gz KUNGMUTWFTZCDE-PKOBYXMFSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCC(OC)CC1)C2 ZINC001096671690 787789903 /nfs/dbraw/zinc/78/99/03/787789903.db2.gz HLEHANDHACTZMC-OAGCAAQDSA-N 0 3 318.461 2.327 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(CCCOC(C)C)C1 ZINC001132021860 787881722 /nfs/dbraw/zinc/88/17/22/787881722.db2.gz QMRMWEDWSSQIOJ-SJORKVTESA-N 0 3 308.466 2.430 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)C1(C)CCCC1 ZINC001132016191 787895263 /nfs/dbraw/zinc/89/52/63/787895263.db2.gz BQRGACYXCITDOS-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOC)C1 ZINC001132077988 787918614 /nfs/dbraw/zinc/91/86/14/787918614.db2.gz KJDGPFDEMRAXDR-AAEUAGOBSA-N 0 3 302.846 2.381 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CC(=C)C)C2)CCOCC1 ZINC001132094941 787925364 /nfs/dbraw/zinc/92/53/64/787925364.db2.gz RDSRWPFNIJYQKU-DLBZAZTESA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCc2ncc(C)o2)CC[C@@H]1C ZINC001132087030 787928939 /nfs/dbraw/zinc/92/89/39/787928939.db2.gz LSHVAFREYOOJNC-ZFWWWQNUSA-N 0 3 305.422 2.461 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001132121026 787932585 /nfs/dbraw/zinc/93/25/85/787932585.db2.gz YNZZAXJFALHILV-GOEBONIOSA-N 0 3 306.450 2.348 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(CCOCC)C2)cc1 ZINC001132214202 787969267 /nfs/dbraw/zinc/96/92/67/787969267.db2.gz CYNZBJVSJYVOJD-YJBOKZPZSA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132288152 788011852 /nfs/dbraw/zinc/01/18/52/788011852.db2.gz NPJXCQIZCPBLHJ-CHWSQXEVSA-N 0 3 318.408 2.449 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(F)F)nc1)C2 ZINC001097192847 788015591 /nfs/dbraw/zinc/01/55/91/788015591.db2.gz UPTHRZNZNOHXFU-YUELXQCFSA-N 0 3 319.355 2.378 20 30 DEEDHN C=CC1(CC(=O)N[C@H]2CC[C@H](C)N(CCO)C2)CCCCC1 ZINC001132348987 788040142 /nfs/dbraw/zinc/04/01/42/788040142.db2.gz VYOOOWCWYWGCAF-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc(C)sc1C)C2 ZINC001097338498 788065758 /nfs/dbraw/zinc/06/57/58/788065758.db2.gz QHTMVGOIALCFPN-BMFZPTHFSA-N 0 3 317.458 2.047 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCc2nc(C)no2)CC[C@@H]1C ZINC001132487328 788093665 /nfs/dbraw/zinc/09/36/65/788093665.db2.gz UBDSGQRUCMWQBV-DZGCQCFKSA-N 0 3 320.437 2.246 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1CCOC3)C2 ZINC001097515974 788123387 /nfs/dbraw/zinc/12/33/87/788123387.db2.gz PNNXXJZBJLJFHR-LZQZEXGQSA-N 0 3 324.424 2.118 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132568622 788132963 /nfs/dbraw/zinc/13/29/63/788132963.db2.gz AWXHUNSMRPKYDU-OLZOCXBDSA-N 0 3 303.381 2.361 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(C)(C)CO1)C2 ZINC001097562659 788135637 /nfs/dbraw/zinc/13/56/37/788135637.db2.gz UPHJDXRTYKGZFI-VQHPVUNQSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132574148 788135621 /nfs/dbraw/zinc/13/56/21/788135621.db2.gz WIFDNBHARFJCBX-ZIAGYGMSSA-N 0 3 306.454 2.302 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC001132663255 788159060 /nfs/dbraw/zinc/15/90/60/788159060.db2.gz SQGXUSYCKTVGPC-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001132866331 788213589 /nfs/dbraw/zinc/21/35/89/788213589.db2.gz XWMHWHSJBCWGON-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN CO[C@H]1CCC[C@@H](C(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001133082801 788276147 /nfs/dbraw/zinc/27/61/47/788276147.db2.gz NMIZYDYTHNRJIQ-OLZOCXBDSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001097974164 788303495 /nfs/dbraw/zinc/30/34/95/788303495.db2.gz AFTLIMZVARTNDE-NCOADZHNSA-N 0 3 305.466 2.157 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3c4ccccc4C[C@H]13)C2 ZINC001097992002 788314902 /nfs/dbraw/zinc/31/49/02/788314902.db2.gz LIRWUMXYRKWPAP-RRWCZSPKSA-N 0 3 320.436 2.317 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)C1(C)CCCCC1 ZINC001133276667 788347231 /nfs/dbraw/zinc/34/72/31/788347231.db2.gz MRJQFOSASOZJNQ-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@@H](C)OC ZINC001133390820 788398909 /nfs/dbraw/zinc/39/89/09/788398909.db2.gz KVMGMAGBURKLCE-CQSZACIVSA-N 0 3 322.836 2.316 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCOCC ZINC001133390711 788399700 /nfs/dbraw/zinc/39/97/00/788399700.db2.gz FQEFAIOTPMPTGR-UHFFFAOYSA-N 0 3 322.836 2.318 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)C(=O)N[O-] ZINC001170685313 788414972 /nfs/dbraw/zinc/41/49/72/788414972.db2.gz KMOPVGQXMLEIEK-UAKXVISKSA-N 0 3 312.360 2.332 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001133474387 788444950 /nfs/dbraw/zinc/44/49/50/788444950.db2.gz SLZHSDBPSRDUEI-IUCAKERBSA-N 0 3 313.186 2.423 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@]23C[C@@H]2CCCC3)s1 ZINC001133548068 788481419 /nfs/dbraw/zinc/48/14/19/788481419.db2.gz WKHFEHHSOIYPBH-LRDDRELGSA-N 0 3 303.431 2.406 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1cnccn1 ZINC001133548750 788482762 /nfs/dbraw/zinc/48/27/62/788482762.db2.gz AFYVEIYPEVLINK-UONOGXRCSA-N 0 3 323.400 2.035 20 30 DEEDHN CSCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133646077 788535766 /nfs/dbraw/zinc/53/57/66/788535766.db2.gz YCWBXPFDPALFIJ-CHWSQXEVSA-N 0 3 305.447 2.294 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1ccon1)NCc1ccccc1C#N ZINC001133815932 788622679 /nfs/dbraw/zinc/62/26/79/788622679.db2.gz GQHCDCIQXPWNBC-STQMWFEESA-N 0 3 312.373 2.233 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccon1 ZINC001133816823 788623968 /nfs/dbraw/zinc/62/39/68/788623968.db2.gz SVYMAWDEBKBYNM-VHSXEESVSA-N 0 3 316.199 2.070 20 30 DEEDHN CCCOCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133880797 788656541 /nfs/dbraw/zinc/65/65/41/788656541.db2.gz NADWODCIIBCKTM-LSDHHAIUSA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@H](C)NCc1conc1C ZINC001134014037 788720471 /nfs/dbraw/zinc/72/04/71/788720471.db2.gz MQVUCSLJVCXHAU-UONOGXRCSA-N 0 3 323.437 2.339 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001134061949 788743022 /nfs/dbraw/zinc/74/30/22/788743022.db2.gz LAGKCTLDNKKDSL-MAZHCROVSA-N 0 3 306.381 2.184 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(OC)no1 ZINC001134119747 788771168 /nfs/dbraw/zinc/77/11/68/788771168.db2.gz XEZQOQSVYKCYNA-KGLIPLIRSA-N 0 3 321.421 2.250 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)CCC=C(C)C ZINC001134191072 788796948 /nfs/dbraw/zinc/79/69/48/788796948.db2.gz XTNILPVABSJTGO-CVEARBPZSA-N 0 3 323.481 2.156 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CC23CCC3)ccc1F ZINC001134445143 788925124 /nfs/dbraw/zinc/92/51/24/788925124.db2.gz RJJCVZNEQZFRQS-AWEZNQCLSA-N 0 3 301.365 2.093 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC23CCC3)cc1F ZINC001134445273 788926044 /nfs/dbraw/zinc/92/60/44/788926044.db2.gz UJAKODSYHYPEOI-AWEZNQCLSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccnc(OC)n1 ZINC001134469831 788937932 /nfs/dbraw/zinc/93/79/32/788937932.db2.gz IUWLWVPZXYWIGF-UONOGXRCSA-N 0 3 320.437 2.214 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC[C@H]2CCCCO2)s1 ZINC001134563821 788977895 /nfs/dbraw/zinc/97/78/95/788977895.db2.gz QUOXADDTAOLKBW-CYBMUJFWSA-N 0 3 321.446 2.175 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC[C@@H]2CCCCO2)s1 ZINC001134563822 788978114 /nfs/dbraw/zinc/97/81/14/788978114.db2.gz QUOXADDTAOLKBW-ZDUSSCGKSA-N 0 3 321.446 2.175 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@H](C)C(C)C)cc1C#N ZINC001134651043 789015539 /nfs/dbraw/zinc/01/55/39/789015539.db2.gz BBOSYXZSTVVYOC-ZDUSSCGKSA-N 0 3 303.406 2.065 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)CCCCCC(C)C)C1=O ZINC001134782281 789082256 /nfs/dbraw/zinc/08/22/56/789082256.db2.gz DTRDGISFXWOGCR-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1snnc1C ZINC001135224586 789249309 /nfs/dbraw/zinc/24/93/09/789249309.db2.gz FYJYPXUGVTVVDW-QWHCGFSZSA-N 0 3 322.478 2.413 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(OC)no1 ZINC001135358081 789299096 /nfs/dbraw/zinc/29/90/96/789299096.db2.gz MHSDLYAZVNGTTQ-STQMWFEESA-N 0 3 309.410 2.412 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2conc2CC)C1 ZINC001086795488 789509720 /nfs/dbraw/zinc/50/97/20/789509720.db2.gz RHHIHBUUGFYTBB-NWDGAFQWSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001071137617 789551072 /nfs/dbraw/zinc/55/10/72/789551072.db2.gz HWWWXOHDSRCPKK-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C=C1CCC1)C[C@@H](C)O2 ZINC001071145895 789556952 /nfs/dbraw/zinc/55/69/52/789556952.db2.gz CTOZSDVJESWPBX-QAPCUYQASA-N 0 3 304.434 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@H](C)O2 ZINC001071193005 789583197 /nfs/dbraw/zinc/58/31/97/789583197.db2.gz VEMJWHYDZWBBGO-SUMWQHHRSA-N 0 3 321.396 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cc(C)co1)C[C@@H](C)O2 ZINC001071198637 789586093 /nfs/dbraw/zinc/58/60/93/789586093.db2.gz BHNVQRBDSHLSLC-CRAIPNDOSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1c[nH]cc1C)C[C@H](C)O2 ZINC001071240224 789608036 /nfs/dbraw/zinc/60/80/36/789608036.db2.gz BKXXXWXXRLZHOC-YJBOKZPZSA-N 0 3 317.433 2.205 20 30 DEEDHN C=C(C)CCN1C[C@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347128 789672091 /nfs/dbraw/zinc/67/20/91/789672091.db2.gz HFIULOLXKIIISA-WCQYABFASA-N 0 3 308.451 2.395 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)CC[C@H]1C ZINC001071512555 789751719 /nfs/dbraw/zinc/75/17/19/789751719.db2.gz ZFMFURVBWOELHR-PBHICJAKSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(Cl)cnn2CC)CC[C@H]1C ZINC001071531763 789762873 /nfs/dbraw/zinc/76/28/73/789762873.db2.gz PTJAZMNSKCCVJY-CHWSQXEVSA-N 0 3 322.840 2.162 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3n(n2)CCCC3)CC[C@H]1C ZINC001071601210 789804883 /nfs/dbraw/zinc/80/48/83/789804883.db2.gz XVSXHNCXZNYLML-HUUCEWRRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)CC[C@H]1C ZINC001071601507 789804918 /nfs/dbraw/zinc/80/49/18/789804918.db2.gz AUJHKKAFVJQQAR-DOMZBBRYSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001071609277 789812149 /nfs/dbraw/zinc/81/21/49/789812149.db2.gz IIZWJUJTKGXJFJ-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc(OC)c2)CC[C@H]1C ZINC001071634729 789829559 /nfs/dbraw/zinc/82/95/59/789829559.db2.gz HSXRWSQFRHAKCW-UKRRQHHQSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)nn(C)c2Cl)CC[C@H]1C ZINC001071647102 789838940 /nfs/dbraw/zinc/83/89/40/789838940.db2.gz DZLRMNJPIDWWFK-YPMHNXCESA-N 0 3 324.856 2.080 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(COC)c2)CC[C@@H]1C ZINC001071659980 789846237 /nfs/dbraw/zinc/84/62/37/789846237.db2.gz NONNBBPWBNNCNH-MAUKXSAKSA-N 0 3 314.429 2.439 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3nccn32)CC[C@@H]1C ZINC001071680976 789861512 /nfs/dbraw/zinc/86/15/12/789861512.db2.gz XSIDVLHPYKFRLS-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3n2CCCC3)CC[C@@H]1C ZINC001071766114 789909477 /nfs/dbraw/zinc/90/94/77/789909477.db2.gz QHUICOMRQVNNBY-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cccnc2C)CC[C@H]1C ZINC001071825180 789931817 /nfs/dbraw/zinc/93/18/17/789931817.db2.gz RVJOYCLWRYAIEH-RHSMWYFYSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@H]1C ZINC001071836832 789936768 /nfs/dbraw/zinc/93/67/68/789936768.db2.gz XOLWDWFYEQSVPB-ZIAGYGMSSA-N 0 3 302.422 2.139 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@H]1C ZINC001071839450 789937803 /nfs/dbraw/zinc/93/78/03/789937803.db2.gz DPMAIDDMUIJGDR-TZMCWYRMSA-N 0 3 302.422 2.446 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn3ccccc23)CC[C@H]1C ZINC001071901731 789965357 /nfs/dbraw/zinc/96/53/57/789965357.db2.gz VUZXCFWQJXWDEX-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@@H]1C ZINC001071982808 789997407 /nfs/dbraw/zinc/99/74/07/789997407.db2.gz QZRXWAVTNFLEHQ-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(COC)cc2)CC[C@H]1C ZINC001072057959 790035036 /nfs/dbraw/zinc/03/50/36/790035036.db2.gz DTVPPLGQYYEIOU-CRAIPNDOSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3nccnc3c2)CC[C@@H]1C ZINC001072058812 790036393 /nfs/dbraw/zinc/03/63/93/790036393.db2.gz RWSIMUHQOFXIFA-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3n[nH]nc3c2)CC[C@H]1C ZINC001072065898 790038965 /nfs/dbraw/zinc/03/89/65/790038965.db2.gz HKSRBRUUHDQPAH-TZMCWYRMSA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2csc3nccn23)CC[C@H]1C ZINC001072076112 790043088 /nfs/dbraw/zinc/04/30/88/790043088.db2.gz KDZQXMURFQGQQI-OLZOCXBDSA-N 0 3 318.446 2.093 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc(F)cc3F)C2)C1 ZINC001072760775 790239748 /nfs/dbraw/zinc/23/97/48/790239748.db2.gz NIAYJDGJAZJFTA-UHFFFAOYSA-N 0 3 306.356 2.228 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)n1 ZINC001074570038 791233284 /nfs/dbraw/zinc/23/32/84/791233284.db2.gz FZLMNUSBVLACHC-KEYYUXOJSA-N 0 3 314.433 2.444 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(F)CCCCC2)cc1 ZINC001146655000 791327304 /nfs/dbraw/zinc/32/73/04/791327304.db2.gz DNEOPXPKFDCMSH-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc3c([nH]2)CCCC3)cc1 ZINC001146889837 791396829 /nfs/dbraw/zinc/39/68/29/791396829.db2.gz MDXMVTMXWBEOGE-UHFFFAOYSA-N 0 3 322.412 2.285 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@@H](C)C1 ZINC001075140048 791479771 /nfs/dbraw/zinc/47/97/71/791479771.db2.gz SLZYYDUXMBYCSD-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C(C2CC2)C2CC2)s1 ZINC001147222283 791488148 /nfs/dbraw/zinc/48/81/48/791488148.db2.gz MMMSIZTUHXZKEL-UHFFFAOYSA-N 0 3 303.431 2.262 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001147439301 791546686 /nfs/dbraw/zinc/54/66/86/791546686.db2.gz AZHQGUISGJBOGO-UHFFFAOYSA-N 0 3 321.424 2.396 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3CC3)C2)cc1 ZINC001098679431 791675042 /nfs/dbraw/zinc/67/50/42/791675042.db2.gz BJFCBZPPJBWVFZ-HKUYNNGSSA-N 0 3 309.413 2.439 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCC(F)(F)F)C1 ZINC001149446532 791689801 /nfs/dbraw/zinc/68/98/01/791689801.db2.gz GEVCNVSJIVTLCA-GFCCVEGCSA-N 0 3 308.344 2.112 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001098764303 791697886 /nfs/dbraw/zinc/69/78/86/791697886.db2.gz IBSWQPKLHHGHNT-YOEHRIQHSA-N 0 3 302.422 2.187 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3c(C)cccc3C)C[C@]2(C)C1 ZINC001091708890 791734133 /nfs/dbraw/zinc/73/41/33/791734133.db2.gz RPFBEIABDXDVEV-XLIONFOSSA-N 0 3 310.441 2.259 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ncccc2Cl)c1 ZINC001148497987 791762762 /nfs/dbraw/zinc/76/27/62/791762762.db2.gz UJHYQDZDWUHJLV-UHFFFAOYSA-N 0 3 314.776 2.126 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@]2(C)C1 ZINC001091729910 791769449 /nfs/dbraw/zinc/76/94/49/791769449.db2.gz NLBMZOOLJMWKGT-BEFAXECRSA-N 0 3 311.429 2.309 20 30 DEEDHN N#CCc1cc(NC(=O)c2ccc(NC(=N)N)cc2)ccc1F ZINC001148650851 791781116 /nfs/dbraw/zinc/78/11/16/791781116.db2.gz XCGLFDUSPJQWQZ-UHFFFAOYSA-N 0 3 311.320 2.449 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(-c2ncc[nH]2)cc1 ZINC001148722977 791793255 /nfs/dbraw/zinc/79/32/55/791793255.db2.gz CWCOHHPMTVYMFD-INIZCTEOSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)CCCCCCCC)C1=O ZINC001148728159 791794700 /nfs/dbraw/zinc/79/47/00/791794700.db2.gz XWGITOKJZCSKIE-MRXNPFEDSA-N 0 3 323.481 2.230 20 30 DEEDHN CCCCCCCCCCC(=O)NCCN[C@H](CC)C(N)=O ZINC001148751587 791800819 /nfs/dbraw/zinc/80/08/19/791800819.db2.gz MRWQFGFPGNUFPS-OAHLLOKOSA-N 0 3 313.486 2.487 20 30 DEEDHN C#CCCN1CCC2(C[C@H](C)N(C(=O)C(=O)C(C)(C)C)C2)CC1 ZINC001086910968 791847605 /nfs/dbraw/zinc/84/76/05/791847605.db2.gz GEFVSTUAWJEDPI-HNNXBMFYSA-N 0 3 318.461 2.328 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001086913176 791848446 /nfs/dbraw/zinc/84/84/46/791848446.db2.gz JORLTFOQHTXTMU-NCOADZHNSA-N 0 3 300.446 2.369 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC3(F)F)C2)CC1 ZINC001086922026 791852393 /nfs/dbraw/zinc/85/23/93/791852393.db2.gz IJJAXXSFKVTKRV-UONOGXRCSA-N 0 3 310.388 2.368 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCCCO3)C2)CC1 ZINC001086915437 791854379 /nfs/dbraw/zinc/85/43/79/791854379.db2.gz INRYKDSNVOJPLA-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cscc3Cl)C[C@]2(C)C1 ZINC001091764681 791880810 /nfs/dbraw/zinc/88/08/10/791880810.db2.gz HXPUBKCZZVZHEU-ABAIWWIYSA-N 0 3 308.834 2.429 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3nc(C)sc3C)C[C@]2(C)C1 ZINC001091778690 791886946 /nfs/dbraw/zinc/88/69/46/791886946.db2.gz KGHTZEAKHGHNOF-PBHICJAKSA-N 0 3 317.458 2.177 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@]2(C)C1 ZINC001092244878 791961517 /nfs/dbraw/zinc/96/15/17/791961517.db2.gz OVDQXPMMAJKYHE-ACJLOTCBSA-N 0 3 318.367 2.382 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnn2CCC)C1 ZINC001098857451 791964595 /nfs/dbraw/zinc/96/45/95/791964595.db2.gz HEZTTZSAEGWYLK-YOEHRIQHSA-N 0 3 302.422 2.063 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3cccn3cn2)C1 ZINC001098900471 791977393 /nfs/dbraw/zinc/97/73/93/791977393.db2.gz NIAJJRMPNHRGMI-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3[nH]cnc32)C1 ZINC001099090011 792087070 /nfs/dbraw/zinc/08/70/70/792087070.db2.gz YDPWGNRWZRPSED-UGSOOPFHSA-N 0 3 310.401 2.333 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2sc(Cl)nc2C)[C@H](C)C1 ZINC001092638520 792090160 /nfs/dbraw/zinc/09/01/60/792090160.db2.gz BAYFAYZSNNRBDH-MWLCHTKSSA-N 0 3 311.838 2.036 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001099106311 792098452 /nfs/dbraw/zinc/09/84/52/792098452.db2.gz DELRDTPGWJVWSY-HNNXBMFYSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cn1nc(C)cc1C ZINC001099136230 792109877 /nfs/dbraw/zinc/10/98/77/792109877.db2.gz XOBOSXIDGPTMAH-MRXNPFEDSA-N 0 3 318.465 2.293 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccc(=O)[nH]c1 ZINC001099145180 792115001 /nfs/dbraw/zinc/11/50/01/792115001.db2.gz SWBMUGYUMZNPDA-HNNXBMFYSA-N 0 3 317.433 2.123 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn3ccccc3n2)C1 ZINC001099148166 792116442 /nfs/dbraw/zinc/11/64/42/792116442.db2.gz ZGOWGLNXJHGWOL-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H](C)C1 ZINC001092808843 792131987 /nfs/dbraw/zinc/13/19/87/792131987.db2.gz KGUJQVFHBZVKHF-NVXWUHKLSA-N 0 3 321.424 2.474 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C(F)(F)F ZINC001099211296 792140207 /nfs/dbraw/zinc/14/02/07/792140207.db2.gz KBUFWKBJPGWWME-VXGBXAGGSA-N 0 3 302.296 2.448 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C(F)(F)F ZINC001099219461 792142123 /nfs/dbraw/zinc/14/21/23/792142123.db2.gz DSYBFCNIBZDTCI-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C)c(F)c2F)[C@H](C)C1 ZINC001092991241 792194344 /nfs/dbraw/zinc/19/43/44/792194344.db2.gz YHODZUSGHWLOTQ-CHWSQXEVSA-N 0 3 306.356 2.204 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C[C@@H]1O ZINC001099729080 792331965 /nfs/dbraw/zinc/33/19/65/792331965.db2.gz BEZWVCBQRGADAS-ROUUACIJSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ccon2)CC1 ZINC001093359140 792340843 /nfs/dbraw/zinc/34/08/43/792340843.db2.gz IWBBRPJVBJNBNE-MRXNPFEDSA-N 0 3 313.401 2.015 20 30 DEEDHN CC(C)C#CC(=O)NCC1CC(NCc2cccc(Cl)n2)C1 ZINC001100309398 792581801 /nfs/dbraw/zinc/58/18/01/792581801.db2.gz TYDRQTWWMQULEB-UHFFFAOYSA-N 0 3 319.836 2.379 20 30 DEEDHN O=C(C#CC1CC1)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100314778 792586681 /nfs/dbraw/zinc/58/66/81/792586681.db2.gz DDOZMZZZWHZOAQ-UHFFFAOYSA-N 0 3 301.217 2.203 20 30 DEEDHN Cc1noc(C)c1CNC1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001100316187 792587251 /nfs/dbraw/zinc/58/72/51/792587251.db2.gz XKGYNPPPCCRYMC-UHFFFAOYSA-N 0 3 317.433 2.325 20 30 DEEDHN CC#CC[NH2+]C1CC(CNC(=O)c2[n-]nc(C3CC3)c2Cl)C1 ZINC001100478356 792676692 /nfs/dbraw/zinc/67/66/92/792676692.db2.gz PKDZSZJUZUXZID-UHFFFAOYSA-N 0 3 320.824 2.062 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100711450 792805469 /nfs/dbraw/zinc/80/54/69/792805469.db2.gz QABJDGJYGPMAGY-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3scnc3C)CCC[C@@H]12 ZINC001094365564 792874089 /nfs/dbraw/zinc/87/40/89/792874089.db2.gz HQXNEFVPCZIOIY-CZUORRHYSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12 ZINC001094475538 792945436 /nfs/dbraw/zinc/94/54/36/792945436.db2.gz DPSCZSDRIMGGDM-IEBWSBKVSA-N 0 3 311.429 2.306 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)[C@H](F)CC)c2)C1 ZINC001101095232 793015794 /nfs/dbraw/zinc/01/57/94/793015794.db2.gz DWCLOLRCMLDAGE-JKSUJKDBSA-N 0 3 321.396 2.085 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC(F)(F)F)C[C@]2(C)C1 ZINC001101308278 793109744 /nfs/dbraw/zinc/10/97/44/793109744.db2.gz DSIFRSWMKODFDG-NFAWXSAZSA-N 0 3 316.367 2.379 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CC(C)(C)C(F)(F)F)C[C@]2(C)C1 ZINC001101449687 793165884 /nfs/dbraw/zinc/16/58/84/793165884.db2.gz HAIADDJNGVSDJR-DOMZBBRYSA-N 0 3 316.367 2.379 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](N2CCC(C)(C#N)CC2)CC1=O ZINC001171717980 793182640 /nfs/dbraw/zinc/18/26/40/793182640.db2.gz OFCUUGSLCYZVDU-GFCCVEGCSA-N 0 3 307.394 2.148 20 30 DEEDHN C#CC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001101511762 793197810 /nfs/dbraw/zinc/19/78/10/793197810.db2.gz ROPLFHSLJJFBMO-UHFFFAOYSA-N 0 3 314.429 2.493 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001172304917 793392869 /nfs/dbraw/zinc/39/28/69/793392869.db2.gz BJMKCMBVUZXQPD-LPHOPBHVSA-N 0 3 313.445 2.286 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC001101876594 793424867 /nfs/dbraw/zinc/42/48/67/793424867.db2.gz XBSMZSAMSGAJOZ-GDBMZVCRSA-N 0 3 322.424 2.118 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1C ZINC001101919480 793440135 /nfs/dbraw/zinc/44/01/35/793440135.db2.gz OMXOIUBSWSVBNF-CZUORRHYSA-N 0 3 317.433 2.279 20 30 DEEDHN Cc1cc(CN2C[C@@H](CNC(=O)C#CC3CC3)[C@H](C)C2)sn1 ZINC001101953418 793459068 /nfs/dbraw/zinc/45/90/68/793459068.db2.gz TZOFMYJTXUKGOT-IUODEOHRSA-N 0 3 317.458 2.049 20 30 DEEDHN CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102108365 793507369 /nfs/dbraw/zinc/50/73/69/793507369.db2.gz JFQQYDYHVHJUOF-JFIYKMOQSA-N 0 3 322.493 2.393 20 30 DEEDHN C[C@@H](N)c1nccn1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967197 793545975 /nfs/dbraw/zinc/54/59/75/793545975.db2.gz UOKKWOSVXLENTA-AGIUHOORSA-N 0 3 319.409 2.367 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC[C@@H](O)CC2)C[C@H]1C#N ZINC001172980705 793550550 /nfs/dbraw/zinc/55/05/50/793550550.db2.gz OWGLCVVJTFVHNL-QLFBSQMISA-N 0 3 323.437 2.125 20 30 DEEDHN C[C@@H]1CC[C@@H](O)CN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981667 793551162 /nfs/dbraw/zinc/55/11/62/793551162.db2.gz XYZWSXXILINSMA-APIJFGDWSA-N 0 3 323.437 2.123 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1C ZINC001102298003 793563444 /nfs/dbraw/zinc/56/34/44/793563444.db2.gz IVVMSXKEPCYHJJ-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102340382 793579236 /nfs/dbraw/zinc/57/92/36/793579236.db2.gz GPDGLZXPZZHXBX-BRWVUGGUSA-N 0 3 320.477 2.147 20 30 DEEDHN Cc1c(C)n(-c2cccc(N3CCN(C)CC3)c2)c(N)c1C#N ZINC001212710584 793600945 /nfs/dbraw/zinc/60/09/45/793600945.db2.gz KHNGEXLOMQJAJS-UHFFFAOYSA-N 0 3 309.417 2.300 20 30 DEEDHN CCC(CC)CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102483674 793629892 /nfs/dbraw/zinc/62/98/92/793629892.db2.gz AFXYJMBTYFUXDM-NVXWUHKLSA-N 0 3 308.466 2.147 20 30 DEEDHN CC[C@H](CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C)C(C)C ZINC001102520074 793640106 /nfs/dbraw/zinc/64/01/06/793640106.db2.gz VMPJNLXQHJXUDA-KZNAEPCWSA-N 0 3 322.493 2.393 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCn2cccn2)C1 ZINC001102681586 793707657 /nfs/dbraw/zinc/70/76/57/793707657.db2.gz VFSOWWXRNQPHPN-UKRRQHHQSA-N 0 3 324.856 2.100 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)OC)C1 ZINC001102758382 793743195 /nfs/dbraw/zinc/74/31/95/793743195.db2.gz GRKJCQKYWFEEDW-MRVWCRGKSA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001102785818 793755662 /nfs/dbraw/zinc/75/56/62/793755662.db2.gz MXXPBIZXNUNPGR-BFYDXBDKSA-N 0 3 324.428 2.292 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001102832601 793777453 /nfs/dbraw/zinc/77/74/53/793777453.db2.gz BKUDUCLIQINMNF-BXUZGUMPSA-N 0 3 320.824 2.327 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccnn2CC)C1 ZINC001102905128 793813803 /nfs/dbraw/zinc/81/38/03/793813803.db2.gz LWLJSXFIXZZCLP-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174672469 794036616 /nfs/dbraw/zinc/03/66/16/794036616.db2.gz OBHMCYWUVCZDHF-ZDUSSCGKSA-N 0 3 321.469 2.480 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1ccn(C)n1 ZINC001174694639 794059813 /nfs/dbraw/zinc/05/98/13/794059813.db2.gz USLLILSXKQEZEJ-CQSZACIVSA-N 0 3 306.454 2.397 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)O)CCCCC1 ZINC001110178197 794113086 /nfs/dbraw/zinc/11/30/86/794113086.db2.gz WAVFKTSWMWGFAX-NCOADZHNSA-N 0 3 318.461 2.063 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001175083044 794135800 /nfs/dbraw/zinc/13/58/00/794135800.db2.gz UJWQCJOAHJAWNO-WMLDXEAASA-N 0 3 321.469 2.182 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C ZINC001103956965 794326979 /nfs/dbraw/zinc/32/69/79/794326979.db2.gz QDEIYELXARKMHX-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C=CCC[C@H]1CCCN1CC(=O)NC(=O)NCc1ccccc1 ZINC001176771044 794501361 /nfs/dbraw/zinc/50/13/61/794501361.db2.gz DJUCQHWYSHFFHJ-INIZCTEOSA-N 0 3 315.417 2.443 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)/C(C)=C\CC)C[C@H]1C(F)(F)F ZINC001112062211 794552983 /nfs/dbraw/zinc/55/29/83/794552983.db2.gz DPFKMZVWGHTGNK-CUOXCHRPSA-N 0 3 302.340 2.345 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1C(F)(F)F ZINC001112162459 794566051 /nfs/dbraw/zinc/56/60/51/794566051.db2.gz SDACSVKNUGHXNV-CHWSQXEVSA-N 0 3 316.367 2.425 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1C(F)(F)F ZINC001112168794 794567651 /nfs/dbraw/zinc/56/76/51/794567651.db2.gz GULVISRFXHALHG-FDYHWXHSSA-N 0 3 302.340 2.035 20 30 DEEDHN C=CCCOCC(=O)NCCCNCc1cccc(F)c1F ZINC001177264370 794628273 /nfs/dbraw/zinc/62/82/73/794628273.db2.gz FGEWJVYEYGBZHF-UHFFFAOYSA-N 0 3 312.360 2.153 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001115280652 794720040 /nfs/dbraw/zinc/72/00/40/794720040.db2.gz RFSNNSKJRVRSOU-BDXSIMOUSA-N 0 3 314.429 2.421 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001115337938 794740065 /nfs/dbraw/zinc/74/00/65/794740065.db2.gz AFQAQRUPWOQQCP-KKBVYLPWSA-N 0 3 302.393 2.237 20 30 DEEDHN O=C(C#Cc1cccnc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC001177781193 794750937 /nfs/dbraw/zinc/75/09/37/794750937.db2.gz LIOXLKQJCAAREG-LJQANCHMSA-N 0 3 319.408 2.386 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCOC2)CCCCC1 ZINC001115437507 794772333 /nfs/dbraw/zinc/77/23/33/794772333.db2.gz AVQLJGKAWVNPGQ-CYBMUJFWSA-N 0 3 300.830 2.184 20 30 DEEDHN CSCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178077278 794833355 /nfs/dbraw/zinc/83/33/55/794833355.db2.gz SONRGTJHRWVKBG-FZMZJTMJSA-N 0 3 323.487 2.452 20 30 DEEDHN C=C(C)C[NH2+]C1(CNC(=O)c2c(C)nc[n-]c2=O)CCCCC1 ZINC001115686480 794878222 /nfs/dbraw/zinc/87/82/22/794878222.db2.gz QQPHIGIFDQTXMZ-UHFFFAOYSA-N 0 3 318.421 2.089 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCN(C(=O)CCCC(C)(C)C)[C@H]1C ZINC001178346282 794893497 /nfs/dbraw/zinc/89/34/97/794893497.db2.gz MAHHWBFSQZPDPZ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2n[nH]c(C(C)(C)C)n2)[C@@H]1C ZINC001178324663 794900628 /nfs/dbraw/zinc/90/06/28/794900628.db2.gz WHZKALKXKHTDRS-STQMWFEESA-N 0 3 319.453 2.147 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cn2ccc(C)n2)CCCCC1 ZINC001115735305 794901570 /nfs/dbraw/zinc/90/15/70/794901570.db2.gz WKSDCWNITNICPW-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCCCCCNCc1cnns1 ZINC001178442176 794915997 /nfs/dbraw/zinc/91/59/97/794915997.db2.gz JCFJOGLLHHQEPH-UHFFFAOYSA-N 0 3 322.478 2.354 20 30 DEEDHN CCCN(C)CC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1C#N ZINC001115795442 794923670 /nfs/dbraw/zinc/92/36/70/794923670.db2.gz ZYJWWDQUZROHJH-CYBMUJFWSA-N 0 3 320.412 2.298 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC001116554766 794967360 /nfs/dbraw/zinc/96/73/60/794967360.db2.gz DUNPQKUKCXXTIA-QGZVFWFLSA-N 0 3 300.402 2.356 20 30 DEEDHN C[C@H]1[C@@H](NCc2cncc(F)c2)CCN1C(=O)C#CC(C)(C)C ZINC001178671754 794969022 /nfs/dbraw/zinc/96/90/22/794969022.db2.gz OUEGXVLXMSUILG-BBRMVZONSA-N 0 3 317.408 2.349 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCCC)[C@@H]1C ZINC001178805600 795000395 /nfs/dbraw/zinc/00/03/95/795000395.db2.gz HOHSHJBAKYEIDO-JYJNAYRXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001179454824 795117327 /nfs/dbraw/zinc/11/73/27/795117327.db2.gz IZCNDCCIDPYCHM-HOCLYGCPSA-N 0 3 304.438 2.164 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC001119729570 795346919 /nfs/dbraw/zinc/34/69/19/795346919.db2.gz RCGXFPLQNYJDNH-DOTOQJQBSA-N 0 3 316.401 2.185 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2(C(F)(F)F)CC2)CC1 ZINC001119863429 795365020 /nfs/dbraw/zinc/36/50/20/795365020.db2.gz CNXLCOUCCSTASO-UHFFFAOYSA-N 0 3 305.344 2.421 20 30 DEEDHN C#CCN(C(=O)c1cc(Cl)ncc1C)C1CCN(C)CC1 ZINC001119910381 795371769 /nfs/dbraw/zinc/37/17/69/795371769.db2.gz RCYYXJZWNLYKFY-UHFFFAOYSA-N 0 3 305.809 2.213 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ncoc2C)CC1 ZINC001151000854 795408678 /nfs/dbraw/zinc/40/86/78/795408678.db2.gz JDFTUUMSNRRRNJ-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)CCOC)C1 ZINC001120289736 795435346 /nfs/dbraw/zinc/43/53/46/795435346.db2.gz HEDCDCDKAIVXFZ-GJZGRUSLSA-N 0 3 314.857 2.478 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)COCC)C1 ZINC001120307910 795438287 /nfs/dbraw/zinc/43/82/87/795438287.db2.gz CGLLUQKBMYEMCQ-HUUCEWRRSA-N 0 3 314.857 2.478 20 30 DEEDHN COCCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181493316 795480835 /nfs/dbraw/zinc/48/08/35/795480835.db2.gz PZUDQFMZPGDCCD-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2cncc(C)c2)C1 ZINC001181475349 795483855 /nfs/dbraw/zinc/48/38/55/795483855.db2.gz ANYXXOVJKZJTHF-NVXWUHKLSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2scnc2C)C1 ZINC001181475398 795484186 /nfs/dbraw/zinc/48/41/86/795484186.db2.gz BZRVDOHTBAGJQZ-UONOGXRCSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@](C)(CNCc2ccn(C)n2)C1 ZINC001181629978 795510181 /nfs/dbraw/zinc/51/01/81/795510181.db2.gz QLNYXJNLCODRHS-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)COC(C)C)C2 ZINC001120769737 795526757 /nfs/dbraw/zinc/52/67/57/795526757.db2.gz HYXJGGUDNRDFKQ-UHFFFAOYSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3nccn3CC)C2)C1 ZINC001120787110 795530800 /nfs/dbraw/zinc/53/08/00/795530800.db2.gz DPNBJGFYXYPMHN-UHFFFAOYSA-N 0 3 316.449 2.386 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@@H](C)OC)C2 ZINC001120793484 795532784 /nfs/dbraw/zinc/53/27/84/795532784.db2.gz GOVMOEKPVJUGML-PEGDAGBESA-N 0 3 300.830 2.181 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CC2(CC(NC/C(Cl)=C/Cl)C2)C1 ZINC001120854340 795544358 /nfs/dbraw/zinc/54/43/58/795544358.db2.gz PMZQQVYQLONJCS-KUAMNWFBSA-N 0 3 316.232 2.482 20 30 DEEDHN Cc1cnc(CNC2CC3(C2)CC(NC(=O)[C@@H](C)C#N)C3)s1 ZINC001120853325 795544376 /nfs/dbraw/zinc/54/43/76/795544376.db2.gz DFAPQFZNKUVWQV-MAFMQUBESA-N 0 3 318.446 2.128 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc(N(C)C)cc1 ZINC001182004195 795582533 /nfs/dbraw/zinc/58/25/33/795582533.db2.gz PNUIESIIVAXDFA-SFHVURJKSA-N 0 3 315.461 2.452 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2cc(C)ns2)C1 ZINC001182113123 795606016 /nfs/dbraw/zinc/60/60/16/795606016.db2.gz LOCUIZAKFGSPLK-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001182215159 795627914 /nfs/dbraw/zinc/62/79/14/795627914.db2.gz ODCRRPJNQHLQMY-CQSZACIVSA-N 0 3 306.356 2.459 20 30 DEEDHN N#Cc1ccc(N2CCCN(Cc3ccc(CO)cc3)CC2)nc1 ZINC001203188880 795695912 /nfs/dbraw/zinc/69/59/12/795695912.db2.gz AKOIFLFZFFAQSR-UHFFFAOYSA-N 0 3 322.412 2.158 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC001121982047 795712326 /nfs/dbraw/zinc/71/23/26/795712326.db2.gz ODPJRLBPFIKRFE-ZIAGYGMSSA-N 0 3 321.469 2.479 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3c(cc(C)cc3F)N2)CC1 ZINC001121998202 795714753 /nfs/dbraw/zinc/71/47/53/795714753.db2.gz SQUKQQMLIRZZBS-KRWDZBQOSA-N 0 3 317.408 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3c(cc(C)cc3F)N2)CC1 ZINC001121998203 795715155 /nfs/dbraw/zinc/71/51/55/795715155.db2.gz SQUKQQMLIRZZBS-QGZVFWFLSA-N 0 3 317.408 2.237 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@@H]2CCCO2)c1 ZINC001122449647 795759262 /nfs/dbraw/zinc/75/92/62/795759262.db2.gz VDDSLXKZSVRIPB-DFBGVHRSSA-N 0 3 316.357 2.158 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001182893295 795775658 /nfs/dbraw/zinc/77/56/58/795775658.db2.gz FWDYEEKTEQMTGA-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCOc2ccc(C)cc2C)C1 ZINC001183052668 795799869 /nfs/dbraw/zinc/79/98/69/795799869.db2.gz RVCDJZALXDLUCQ-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)Cc2ccsc2)ccc1F ZINC001122953109 795826247 /nfs/dbraw/zinc/82/62/47/795826247.db2.gz JWOBCQCKGPNHNB-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001183325831 795856687 /nfs/dbraw/zinc/85/66/87/795856687.db2.gz IUYUYBFFSBKSIA-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C[C@@H]2C=CCC2)ccc1F ZINC001123323416 795893046 /nfs/dbraw/zinc/89/30/46/795893046.db2.gz PSOHBXJXLABUBF-CYBMUJFWSA-N 0 3 301.365 2.259 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2([C@@H]3CCCO3)CCC2)CC1 ZINC001123503377 795923542 /nfs/dbraw/zinc/92/35/42/795923542.db2.gz MRBICDKSMQXDRW-INIZCTEOSA-N 0 3 321.465 2.428 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc32)C1 ZINC001184238915 796020816 /nfs/dbraw/zinc/02/08/16/796020816.db2.gz SRCTTWNVXYZNKP-UKRRQHHQSA-N 0 3 318.804 2.030 20 30 DEEDHN C=CCCC(=O)NCCN[C@H](C)C(=O)NCCC1=CCCCC1 ZINC001124646040 796079982 /nfs/dbraw/zinc/07/99/82/796079982.db2.gz FJUZJLDKTABKEQ-OAHLLOKOSA-N 0 3 321.465 2.054 20 30 DEEDHN COc1ccc(CN[C@@H]2CCN(C(=O)CCCF)C2)cc1C#N ZINC001184971807 796157320 /nfs/dbraw/zinc/15/73/20/796157320.db2.gz PCOSCKHMKRDQMV-OAHLLOKOSA-N 0 3 319.380 2.007 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CNCc2cnns2)[C@H](C)C1 ZINC001185061236 796172600 /nfs/dbraw/zinc/17/26/00/796172600.db2.gz KKAZYONFUHTQRY-ZIAGYGMSSA-N 0 3 322.478 2.469 20 30 DEEDHN Cc1ncc(CN[C@@H]2C[C@H](NC(=O)C#CC(C)C)C23CCC3)o1 ZINC001202878112 796303044 /nfs/dbraw/zinc/30/30/44/796303044.db2.gz RJXAAWGBKVYWTB-CVEARBPZSA-N 0 3 315.417 2.159 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)CCCCc2ccc(F)cc2)C1 ZINC001185905585 796332070 /nfs/dbraw/zinc/33/20/70/796332070.db2.gz WYTWVYHKTSLTJN-QGZVFWFLSA-N 0 3 302.393 2.362 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202909096 796342347 /nfs/dbraw/zinc/34/23/47/796342347.db2.gz DGBHBLRRHDDXLW-CABCVRRESA-N 0 3 315.442 2.074 20 30 DEEDHN C=CCn1cc(CN2CCC[C@@]3(CCN(CC=C)C3=O)C2)cn1 ZINC001139769856 796424828 /nfs/dbraw/zinc/42/48/28/796424828.db2.gz SVMOGUHJLSMXCB-GOSISDBHSA-N 0 3 314.433 2.070 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(C)nc2OCCC)C1 ZINC001186695286 796433033 /nfs/dbraw/zinc/43/30/33/796433033.db2.gz NWAFKBLKSCDIRF-OAHLLOKOSA-N 0 3 315.417 2.006 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](O)Cc1ccccc1Cl ZINC001139869636 796439263 /nfs/dbraw/zinc/43/92/63/796439263.db2.gz NZRQRZSMCFHFEE-MRXNPFEDSA-N 0 3 324.852 2.210 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001186845353 796446213 /nfs/dbraw/zinc/44/62/13/796446213.db2.gz QNRNAQGNBIGBIY-QWHCGFSZSA-N 0 3 324.808 2.282 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001140165050 796485957 /nfs/dbraw/zinc/48/59/57/796485957.db2.gz IIWYJPXOOARBBW-JCVNQNCUSA-N 0 3 318.392 2.399 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccncc1[O-])C2 ZINC001140276102 796499120 /nfs/dbraw/zinc/49/91/20/796499120.db2.gz CTBNRUQMFWFOSI-DOTOQJQBSA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccncc1[O-])C2 ZINC001140276102 796499122 /nfs/dbraw/zinc/49/91/22/796499122.db2.gz CTBNRUQMFWFOSI-DOTOQJQBSA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccncc1[O-])C2 ZINC001140276104 796499153 /nfs/dbraw/zinc/49/91/53/796499153.db2.gz CTBNRUQMFWFOSI-RDJZCZTQSA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1[O-])C2 ZINC001140276104 796499154 /nfs/dbraw/zinc/49/91/54/796499154.db2.gz CTBNRUQMFWFOSI-RDJZCZTQSA-N 0 3 304.390 2.113 20 30 DEEDHN CCCCCCCCCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001187367914 796526023 /nfs/dbraw/zinc/52/60/23/796526023.db2.gz WKJBJWPUQFUIDH-CVEARBPZSA-N 0 3 323.481 2.206 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CC[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001187858193 796590457 /nfs/dbraw/zinc/59/04/57/796590457.db2.gz ZOAZUYAOOXMJQO-DOTOQJQBSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cc(C)[nH]n1)C2 ZINC001203074845 796590476 /nfs/dbraw/zinc/59/04/76/796590476.db2.gz WPPLXYISHIEMKQ-DLBZAZTESA-N 0 3 305.422 2.292 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001188383251 796663518 /nfs/dbraw/zinc/66/35/18/796663518.db2.gz MAHNTLIXOCUKTN-QGZVFWFLSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001188840118 796722871 /nfs/dbraw/zinc/72/28/71/796722871.db2.gz YTFLXVYDNBOEHM-DOTOQJQBSA-N 0 3 318.461 2.302 20 30 DEEDHN C#CC1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001142344877 796736666 /nfs/dbraw/zinc/73/66/66/796736666.db2.gz SLFLZAFTFDOIJA-UHFFFAOYSA-N 0 3 311.429 2.165 20 30 DEEDHN N#C[C@H]1CCCCN1C(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142343660 796736975 /nfs/dbraw/zinc/73/69/75/796736975.db2.gz IWJGPAQOFJUQFL-QGZVFWFLSA-N 0 3 312.417 2.198 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001189365500 796821244 /nfs/dbraw/zinc/82/12/44/796821244.db2.gz YBQSVAPFVBFTGK-INIZCTEOSA-N 0 3 306.381 2.061 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN(CCc2cccs2)CCCO1 ZINC001149362536 796845640 /nfs/dbraw/zinc/84/56/40/796845640.db2.gz SBYSANMYHUYVSL-HNNXBMFYSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001189575490 796851961 /nfs/dbraw/zinc/85/19/61/796851961.db2.gz UZOPHMSMVYPJRD-OAHLLOKOSA-N 0 3 306.406 2.245 20 30 DEEDHN C[C@@H]1CC[C@H](CCC(=O)NCCNCc2cccc(C#N)c2)O1 ZINC001151793991 796863966 /nfs/dbraw/zinc/86/39/66/796863966.db2.gz JEDADGLHCJOCPI-RHSMWYFYSA-N 0 3 315.417 2.112 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)CCOC2CCC2)C1 ZINC001189744671 796875909 /nfs/dbraw/zinc/87/59/09/796875909.db2.gz XBKVKKQUDWWIQD-MRXNPFEDSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001189918482 796903434 /nfs/dbraw/zinc/90/34/34/796903434.db2.gz RFOOLKKGRSKJQR-FUHWJXTLSA-N 0 3 320.408 2.186 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001149929878 796905951 /nfs/dbraw/zinc/90/59/51/796905951.db2.gz FZYFHQDSVJRRFJ-RDJZCZTQSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150159578 796924025 /nfs/dbraw/zinc/92/40/25/796924025.db2.gz KPIOBCVSMVLWNQ-LSDHHAIUSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001150213000 796928964 /nfs/dbraw/zinc/92/89/64/796928964.db2.gz VFCJGIDBFSJFMX-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CN(C[C@@H]2CCCCO2)CCCO1 ZINC001150212389 796929282 /nfs/dbraw/zinc/92/92/82/796929282.db2.gz QNKXEFFHTBHMBY-IRXDYDNUSA-N 0 3 324.465 2.119 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)cc2)c(C)n1C ZINC001150491771 796946786 /nfs/dbraw/zinc/94/67/86/796946786.db2.gz DSSJMNXRQWUMDV-UHFFFAOYSA-N 0 3 310.401 2.033 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001150596362 796959083 /nfs/dbraw/zinc/95/90/83/796959083.db2.gz LDUKEUWEBRLCBM-HZPDHXFCSA-N 0 3 318.417 2.004 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@H](C)SC)CC1 ZINC001151075131 797009145 /nfs/dbraw/zinc/00/91/45/797009145.db2.gz OAVWSLRXIKLOMJ-AWEZNQCLSA-N 0 3 314.495 2.301 20 30 DEEDHN CCn1cccc1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001151190469 797019545 /nfs/dbraw/zinc/01/95/45/797019545.db2.gz PANYIFQRBNBSLS-UHFFFAOYSA-N 0 3 314.364 2.038 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cc(C)co2)CC1 ZINC001151259025 797028211 /nfs/dbraw/zinc/02/82/11/797028211.db2.gz BEIDBSYDFHIXCJ-UHFFFAOYSA-N 0 3 306.406 2.375 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)Cc2occc2C)CC1 ZINC001151320300 797033074 /nfs/dbraw/zinc/03/30/74/797033074.db2.gz UIOOOJRRGUEWHS-UHFFFAOYSA-N 0 3 320.433 2.304 20 30 DEEDHN Cc1nc(C(=O)NCCNCc2ccc(C#N)cc2)sc1C ZINC001151448195 797048217 /nfs/dbraw/zinc/04/82/17/797048217.db2.gz KVIJQLFKNOOUKH-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 ZINC001190767381 797072828 /nfs/dbraw/zinc/07/28/28/797072828.db2.gz CBOGUBOYSBTCEG-CZDHMLMNSA-N 0 3 318.417 2.201 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001151848089 797106997 /nfs/dbraw/zinc/10/69/97/797106997.db2.gz DZUNPQPSAIVOLR-LSDHHAIUSA-N 0 3 313.486 2.213 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCCn2cccc2)s1 ZINC001152026489 797135125 /nfs/dbraw/zinc/13/51/25/797135125.db2.gz MAKSWBXZNIJRJG-UHFFFAOYSA-N 0 3 316.430 2.107 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2c(C)cncc2C)C1 ZINC001191319282 797179935 /nfs/dbraw/zinc/17/99/35/797179935.db2.gz HQEAIYZTXHUHIC-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CC(F)F)C1 ZINC001191407233 797195321 /nfs/dbraw/zinc/19/53/21/797195321.db2.gz MLROSQJBIJQGAB-QWHCGFSZSA-N 0 3 304.381 2.013 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)c(C)cn2)C1 ZINC001191468775 797214493 /nfs/dbraw/zinc/21/44/93/797214493.db2.gz OCNOFQXVTWJCST-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](N(C)CCOCC=C)C2)cc1 ZINC001191665307 797244556 /nfs/dbraw/zinc/24/45/56/797244556.db2.gz AHGZWUATBZDCHH-SFHVURJKSA-N 0 3 312.413 2.017 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001191867478 797278331 /nfs/dbraw/zinc/27/83/31/797278331.db2.gz BXXJFUYNQGFYOG-KBPBESRZSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001153135614 797290256 /nfs/dbraw/zinc/29/02/56/797290256.db2.gz VWCGPJADLBOOTK-MEDUHNTESA-N 0 3 324.371 2.249 20 30 DEEDHN CCc1ncc(C(=O)NCCNCc2cccc(C#N)c2)s1 ZINC001153203169 797299442 /nfs/dbraw/zinc/29/94/42/797299442.db2.gz DBPCZXPYGXTIRD-UHFFFAOYSA-N 0 3 314.414 2.097 20 30 DEEDHN CCN(CCc1ccns1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153215036 797301186 /nfs/dbraw/zinc/30/11/86/797301186.db2.gz RHXOZUVSQGHCPU-CQSZACIVSA-N 0 3 307.463 2.172 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccoc2)C1 ZINC001192127776 797323936 /nfs/dbraw/zinc/32/39/36/797323936.db2.gz OCUDQELBECTGHY-IAGOWNOFSA-N 0 3 322.449 2.344 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](OCC)C1=CCCC1 ZINC001153355120 797327324 /nfs/dbraw/zinc/32/73/24/797327324.db2.gz VYNNGFXQPPOQNP-WBVHZDCISA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OC)cc1C ZINC001153580931 797357988 /nfs/dbraw/zinc/35/79/88/797357988.db2.gz MYPIDGOOLBICSL-OAHLLOKOSA-N 0 3 302.418 2.006 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001153721456 797381077 /nfs/dbraw/zinc/38/10/77/797381077.db2.gz YICHKSVHQWYMMZ-CYBMUJFWSA-N 0 3 304.438 2.020 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)NCCCC)CCCC1 ZINC001153809249 797400161 /nfs/dbraw/zinc/40/01/61/797400161.db2.gz HJJKHJOJMJGUKW-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2cn(C)nc2C)CCCC1 ZINC001153818065 797402280 /nfs/dbraw/zinc/40/22/80/797402280.db2.gz VTZRLDUUVMKTEQ-UHFFFAOYSA-N 0 3 304.438 2.071 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 ZINC001192489272 797403240 /nfs/dbraw/zinc/40/32/40/797403240.db2.gz CJCRDTZWYCGPCU-QGZVFWFLSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](F)c2ccccc2)C1 ZINC001192559724 797406721 /nfs/dbraw/zinc/40/67/21/797406721.db2.gz JNAPOSFATJCZPN-DLBZAZTESA-N 0 3 320.408 2.433 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccn2c1CCCC2 ZINC001153864363 797413541 /nfs/dbraw/zinc/41/35/41/797413541.db2.gz RPGWITZIFAPYHE-OAHLLOKOSA-N 0 3 301.434 2.288 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCC2CCCCC2)C[C@H]1O ZINC001192871053 797458101 /nfs/dbraw/zinc/45/81/01/797458101.db2.gz KDRODTMYJSHKGS-IAGOWNOFSA-N 0 3 320.477 2.168 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2ccccn2)c(F)c1 ZINC001154136234 797470752 /nfs/dbraw/zinc/47/07/52/797470752.db2.gz AUTQHYFVYJRIQM-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2ccco2)c(F)c1 ZINC001154211189 797486084 /nfs/dbraw/zinc/48/60/84/797486084.db2.gz COWMNRZLYSMZRN-UHFFFAOYSA-N 0 3 301.321 2.200 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCCCF)c[nH]1 ZINC001110453460 797495069 /nfs/dbraw/zinc/49/50/69/797495069.db2.gz ALJNBWUGMFPLDY-OAGGEKHMSA-N 0 3 318.396 2.361 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc2cnccc2c1 ZINC001154284868 797503588 /nfs/dbraw/zinc/50/35/88/797503588.db2.gz VEVLUXDAUWNTTE-OAHLLOKOSA-N 0 3 309.413 2.237 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1O ZINC001193312842 797551697 /nfs/dbraw/zinc/55/16/97/797551697.db2.gz OJXXGFRYYLEZSH-JLVOYYQZSA-N 0 3 314.857 2.283 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCCOc1ccc(F)cc1 ZINC001154549737 797560753 /nfs/dbraw/zinc/56/07/53/797560753.db2.gz YQZXCNKIAKYLHD-OAHLLOKOSA-N 0 3 320.408 2.445 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC001193587274 797588520 /nfs/dbraw/zinc/58/85/20/797588520.db2.gz LESRYRGZZYLEEW-GFCCVEGCSA-N 0 3 322.371 2.310 20 30 DEEDHN CCOCCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154969414 797650129 /nfs/dbraw/zinc/65/01/29/797650129.db2.gz PBCKHGCCPWAQSC-UHFFFAOYSA-N 0 3 321.396 2.110 20 30 DEEDHN C=CCNC(=O)c1cccnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001155257515 797718363 /nfs/dbraw/zinc/71/83/63/797718363.db2.gz GVVGXKLHTQDFJJ-GFCCVEGCSA-N 0 3 321.384 2.356 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCc1c(C)noc1CC ZINC001155447335 797759776 /nfs/dbraw/zinc/75/97/76/797759776.db2.gz XZOFJSNHXBNUMH-CQSZACIVSA-N 0 3 323.437 2.123 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001194778864 797770949 /nfs/dbraw/zinc/77/09/49/797770949.db2.gz ZFRZMNUTYMABLN-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001194899955 797793098 /nfs/dbraw/zinc/79/30/98/797793098.db2.gz NUGRZKZEVZKXRP-FSNPWBFUSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1cccc(CC)c1 ZINC001155593360 797798492 /nfs/dbraw/zinc/79/84/92/797798492.db2.gz JILXJKJYCDTNGZ-UHFFFAOYSA-N 0 3 317.433 2.250 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c(C)noc1C ZINC001155700349 797830891 /nfs/dbraw/zinc/83/08/91/797830891.db2.gz RSORCWKBTRQSIO-UONOGXRCSA-N 0 3 319.449 2.320 20 30 DEEDHN Cc1ccc2sc(CNCCCNC(=O)[C@@H](C)C#N)nc2c1 ZINC001155848384 797865629 /nfs/dbraw/zinc/86/56/29/797865629.db2.gz KNYWTZBSHBMAGT-LBPRGKRZSA-N 0 3 316.430 2.360 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC001195443600 797899858 /nfs/dbraw/zinc/89/98/58/797899858.db2.gz GOIDAYIXLDQZFI-KRWDZBQOSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001195433631 797906881 /nfs/dbraw/zinc/90/68/81/797906881.db2.gz JMTZSFCXPTXFHE-QYHCQRMFSA-N 0 3 306.450 2.417 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001195566659 797929554 /nfs/dbraw/zinc/92/95/54/797929554.db2.gz BCAMXTISVUTINX-PNSADGCTSA-N 0 3 308.466 2.496 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C)C1 ZINC001195700789 797945915 /nfs/dbraw/zinc/94/59/15/797945915.db2.gz HLWVTZYQRNFQIQ-IAGOWNOFSA-N 0 3 319.449 2.135 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCCN(CC[C@H]2CCCO2)CC1 ZINC001195785284 797962095 /nfs/dbraw/zinc/96/20/95/797962095.db2.gz IZOXFFVRVLQCMX-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CC/C=C\CC)C[C@H]2O)CC1 ZINC001195881452 797979898 /nfs/dbraw/zinc/97/98/98/797979898.db2.gz LCASURCNDVYQOP-OSNZYPHYSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001156466247 798006824 /nfs/dbraw/zinc/00/68/24/798006824.db2.gz MQIFFWIHEMZJQL-OAHLLOKOSA-N 0 3 311.429 2.479 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1OCCc2ccsc21 ZINC001156475350 798010619 /nfs/dbraw/zinc/01/06/19/798010619.db2.gz ANNPOQNWKRIBOY-UKRRQHHQSA-N 0 3 320.458 2.212 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc(C2CC2)s1 ZINC001156510165 798019346 /nfs/dbraw/zinc/01/93/46/798019346.db2.gz KKDBKVDVKDZXEE-GFCCVEGCSA-N 0 3 305.447 2.484 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(N(C)C)c1 ZINC001156578697 798033331 /nfs/dbraw/zinc/03/33/31/798033331.db2.gz DIHNNJNJUUGQAE-OAHLLOKOSA-N 0 3 301.434 2.216 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2C)C1 ZINC001196429134 798058652 /nfs/dbraw/zinc/05/86/52/798058652.db2.gz GSBTZTQMIJYFOU-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OCC)cc1 ZINC001156767252 798079452 /nfs/dbraw/zinc/07/94/52/798079452.db2.gz WQONVIPJZGVXCK-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCOc1cccc(C)c1 ZINC001156863695 798098342 /nfs/dbraw/zinc/09/83/42/798098342.db2.gz NLQYVWNAIYWNFV-MRXNPFEDSA-N 0 3 302.418 2.224 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccccc1F ZINC001156875947 798099373 /nfs/dbraw/zinc/09/93/73/798099373.db2.gz SPBVBOJHPKDPNP-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001197551302 798205971 /nfs/dbraw/zinc/20/59/71/798205971.db2.gz IAXOXSIWBAOOHL-VXGBXAGGSA-N 0 3 322.371 2.093 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1cc(F)ccc1Cl ZINC001157705023 798262752 /nfs/dbraw/zinc/26/27/52/798262752.db2.gz HVAJMNMMBJJKAT-UHFFFAOYSA-N 0 3 308.784 2.488 20 30 DEEDHN C=CC[C@@H](C(=O)N1CCCN(CCCO)CC1)c1ccccc1 ZINC001198198357 798298120 /nfs/dbraw/zinc/29/81/20/798298120.db2.gz ZNIBVPDRGFCGRP-GOSISDBHSA-N 0 3 316.445 2.263 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc2c(c1)OCO2 ZINC001198311798 798322749 /nfs/dbraw/zinc/32/27/49/798322749.db2.gz DRUMSJIYEBNFFE-ZDUSSCGKSA-N 0 3 319.430 2.352 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001198374508 798324532 /nfs/dbraw/zinc/32/45/32/798324532.db2.gz VQRMOQVKKRQRCY-CGTJXYLNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001198392655 798334198 /nfs/dbraw/zinc/33/41/98/798334198.db2.gz KPOPGBAZFKYRMT-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2Cl)C1 ZINC001198435944 798339651 /nfs/dbraw/zinc/33/96/51/798339651.db2.gz AARRYVOBCRVGSD-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C=CCOCCCC(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198635532 798371916 /nfs/dbraw/zinc/37/19/16/798371916.db2.gz 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ZINC000947130782 800354349 /nfs/dbraw/zinc/35/43/49/800354349.db2.gz MEMVUUZKEBUBII-XJKSGUPXSA-N 0 3 324.384 2.329 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1ccnc1)C2 ZINC001111075324 800375419 /nfs/dbraw/zinc/37/54/19/800375419.db2.gz VUMBEBGKWQHVJG-FPCVCCKLSA-N 0 3 302.422 2.132 20 30 DEEDHN C#C[C@H]1CCCCN1C[C@@H](O)COCc1ccc(OC)cc1 ZINC000934509184 800377758 /nfs/dbraw/zinc/37/77/58/800377758.db2.gz KJHARVIOIQEJAL-DLBZAZTESA-N 0 3 303.402 2.060 20 30 DEEDHN C#Cc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000934922654 800499357 /nfs/dbraw/zinc/49/93/57/800499357.db2.gz LVNVZZBWYZGLBR-KRWDZBQOSA-N 0 3 313.401 2.043 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCCCO1)C2 ZINC001111084102 800506730 /nfs/dbraw/zinc/50/67/30/800506730.db2.gz ATUUTXOLMSRMLS-VQHPVUNQSA-N 0 3 304.434 2.081 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccncc3OC)C2)C1=O ZINC001206458215 800536611 /nfs/dbraw/zinc/53/66/11/800536611.db2.gz INOKZAKCWKZVMF-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN CCN1CCN(Cc2ccc(Nc3ccnc(C#N)c3)cc2)CC1 ZINC001206613276 800564273 /nfs/dbraw/zinc/56/42/73/800564273.db2.gz VNDRMHBMJSVMML-UHFFFAOYSA-N 0 3 321.428 2.256 20 30 DEEDHN Cn1cc(CN2CCc3ncnc(C4CC4)c3CC2)cc1C#N ZINC001207105393 800684359 /nfs/dbraw/zinc/68/43/59/800684359.db2.gz VYYGDWFVFXAFKP-UHFFFAOYSA-N 0 3 307.401 2.165 20 30 DEEDHN C=CCN1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207244514 800716400 /nfs/dbraw/zinc/71/64/00/800716400.db2.gz CLUJKULZJCRAQT-INIZCTEOSA-N 0 3 323.481 2.437 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001207444359 800753262 /nfs/dbraw/zinc/75/32/62/800753262.db2.gz PXPCSOSOCXWELK-CZUORRHYSA-N 0 3 317.433 2.145 20 30 DEEDHN CCCOCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207610001 800788956 /nfs/dbraw/zinc/78/89/56/800788956.db2.gz ALXHMBISFFWBDE-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207645619 800796722 /nfs/dbraw/zinc/79/67/22/800796722.db2.gz OHCHZHVLPJJFQJ-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CC1(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CCCCC1 ZINC000935981555 800818317 /nfs/dbraw/zinc/81/83/17/800818317.db2.gz QMUDRDRAFAOVPW-JKSUJKDBSA-N 0 3 306.450 2.181 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H](NC[C@H](F)CC)C1 ZINC001207758752 800824464 /nfs/dbraw/zinc/82/44/64/800824464.db2.gz GMMDGWNJNKRBEX-CABCVRRESA-N 0 3 300.418 2.298 20 30 DEEDHN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CCCCCC)C2 ZINC001111160417 800854089 /nfs/dbraw/zinc/85/40/89/800854089.db2.gz WQGPMETVAZKPNV-KURKYZTESA-N 0 3 319.493 2.243 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2scnc2C)C1 ZINC001207944110 800868779 /nfs/dbraw/zinc/86/87/79/800868779.db2.gz IVVUWXQIPXLXBC-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCc2ccccc2)C1 ZINC001207966389 800879360 /nfs/dbraw/zinc/87/93/60/800879360.db2.gz IHUXIISVIBMTDG-SOLBZPMBSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001208240764 800936997 /nfs/dbraw/zinc/93/69/97/800936997.db2.gz QJTJTAHRNNNMFI-TZMCWYRMSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001208259120 800942886 /nfs/dbraw/zinc/94/28/86/800942886.db2.gz YWLOKGGGAIIJPJ-JSGCOSHPSA-N 0 3 305.426 2.111 20 30 DEEDHN N#Cc1ccc(CCCN2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC001208859313 801079729 /nfs/dbraw/zinc/07/97/29/801079729.db2.gz WYDXOIBMKPLBTN-IBGZPJMESA-N 0 3 313.445 2.287 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC001208928633 801095824 /nfs/dbraw/zinc/09/58/24/801095824.db2.gz JLKBKZSKLNTRNO-QGZVFWFLSA-N 0 3 313.401 2.477 20 30 DEEDHN C#CCCCCCC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001209004554 801110419 /nfs/dbraw/zinc/11/04/19/801110419.db2.gz PIYUROCXDNVLPK-INIZCTEOSA-N 0 3 316.449 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001209183052 801144440 /nfs/dbraw/zinc/14/44/40/801144440.db2.gz LBKYWXYMKMGKLH-CABCVRRESA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NCC(C)C)C1 ZINC001209345924 801173416 /nfs/dbraw/zinc/17/34/16/801173416.db2.gz PCNSMRSBXYIXEC-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001209376002 801179912 /nfs/dbraw/zinc/17/99/12/801179912.db2.gz ZBJWIFVNEHDMRW-KBPBESRZSA-N 0 3 319.453 2.365 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCC[C@@H](NC[C@@H](F)CC)C2)c1 ZINC001209561142 801218522 /nfs/dbraw/zinc/21/85/22/801218522.db2.gz JTGPFSWJYWRISL-JKSUJKDBSA-N 0 3 303.381 2.005 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001229369854 801264589 /nfs/dbraw/zinc/26/45/89/801264589.db2.gz QXHWUZDQQCYHMQ-UHFFFAOYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001209865873 801297387 /nfs/dbraw/zinc/29/73/87/801297387.db2.gz LTCNGNBCTLIZOL-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCn1ccnc1 ZINC001230344513 801390106 /nfs/dbraw/zinc/39/01/06/801390106.db2.gz YFJZYFTWLSYGTR-HUUCEWRRSA-N 0 3 324.856 2.433 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654306 801452454 /nfs/dbraw/zinc/45/24/54/801452454.db2.gz NXEFJCPHELQMPG-HNNXBMFYSA-N 0 3 310.438 2.378 20 30 DEEDHN CCCCCCCCCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001210823401 801469835 /nfs/dbraw/zinc/46/98/35/801469835.db2.gz ACYPXRCDSHNCBM-HNNXBMFYSA-N 0 3 311.470 2.193 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H](C)C1CC1)Cc1cccnc1 ZINC001230722402 801475312 /nfs/dbraw/zinc/47/53/12/801475312.db2.gz JNPHDASBOQZNCU-INIZCTEOSA-N 0 3 313.445 2.459 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H]1CC1(C)C)Cc1cccnc1 ZINC001230734164 801478589 /nfs/dbraw/zinc/47/85/89/801478589.db2.gz IKOFWNRADXUDAZ-KRWDZBQOSA-N 0 3 313.445 2.459 20 30 DEEDHN C=C(C)CCC(=O)NCCCN(Cc1cccnc1)C[C@H](C)O ZINC001230771672 801486457 /nfs/dbraw/zinc/48/64/57/801486457.db2.gz OXEXOOHCRZXLDI-INIZCTEOSA-N 0 3 319.449 2.127 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2C)CCCCC1 ZINC001211235305 801534883 /nfs/dbraw/zinc/53/48/83/801534883.db2.gz KZCZMGILVHCOSJ-OWCLPIDISA-N 0 3 308.466 2.330 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cnn(C)c1 ZINC001231113165 801582655 /nfs/dbraw/zinc/58/26/55/801582655.db2.gz GGXCEWFGEBYDHC-KRWDZBQOSA-N 0 3 320.481 2.466 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)C(C)(C)F)cc1C#N ZINC001231131602 801588112 /nfs/dbraw/zinc/58/81/12/801588112.db2.gz XZEJZYXZYMUHFJ-UHFFFAOYSA-N 0 3 321.396 2.253 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1OC ZINC001213310913 801595850 /nfs/dbraw/zinc/59/58/50/801595850.db2.gz ZYJZOPADTQDUOV-HZPDHXFCSA-N 0 3 312.429 2.135 20 30 DEEDHN CCCC(=O)NCCCN(C)Cc1ccc(OC)c(C#N)c1 ZINC001231223907 801610213 /nfs/dbraw/zinc/61/02/13/801610213.db2.gz PGOWCYUCVNRUFF-UHFFFAOYSA-N 0 3 303.406 2.305 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCc2ccccc21 ZINC001231240456 801614929 /nfs/dbraw/zinc/61/49/29/801614929.db2.gz KMFXUDDNHYBNDT-WMZOPIPTSA-N 0 3 314.429 2.409 20 30 DEEDHN COc1cc(N2CC[NH2+]CC2)ccc1Nc1cc(C#N)ccc1[O-] ZINC001213896658 801652747 /nfs/dbraw/zinc/65/27/47/801652747.db2.gz XXHSYRQUOZNGEX-UHFFFAOYSA-N 0 3 324.384 2.426 20 30 DEEDHN CC(C)CCCN1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001231406948 801658439 /nfs/dbraw/zinc/65/84/39/801658439.db2.gz CURNBQJYKRJFIQ-HNNXBMFYSA-N 0 3 302.422 2.469 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001214049456 801668939 /nfs/dbraw/zinc/66/89/39/801668939.db2.gz HZHTXHPLINFUCJ-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001214285258 801699331 /nfs/dbraw/zinc/69/93/31/801699331.db2.gz BLRMKMQLEDOAGK-VNHYZAJKSA-N 0 3 323.462 2.061 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001214582292 801735367 /nfs/dbraw/zinc/73/53/67/801735367.db2.gz NEPAIBYKHNMERK-RHSMWYFYSA-N 0 3 302.393 2.422 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214582225 801735571 /nfs/dbraw/zinc/73/55/71/801735571.db2.gz KMIQUOWRTNNLPL-IEBWSBKVSA-N 0 3 308.425 2.134 20 30 DEEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](NCc3ccns3)C2)CCC1 ZINC001214829660 801763115 /nfs/dbraw/zinc/76/31/15/801763115.db2.gz DANXTXDOYGENEL-UKRRQHHQSA-N 0 3 317.458 2.273 20 30 DEEDHN CC(C)[C@H](F)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215347321 801842646 /nfs/dbraw/zinc/84/26/46/801842646.db2.gz UTAPXFMXGVANRR-NXHRZFHOSA-N 0 3 316.420 2.469 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001215361895 801847256 /nfs/dbraw/zinc/84/72/56/801847256.db2.gz MRKQIFRGLCENIR-UKRRQHHQSA-N 0 3 305.447 2.273 20 30 DEEDHN Cc1c[nH+]ccc1N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232682052 801942006 /nfs/dbraw/zinc/94/20/06/801942006.db2.gz YZFJHKAARIJSBL-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN CCCCCCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001216526931 801982979 /nfs/dbraw/zinc/98/29/79/801982979.db2.gz WXSORBNFOXSTAL-BZUAXINKSA-N 0 3 323.481 2.062 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3ccoc3C)[C@H]2C1 ZINC001217248789 802061524 /nfs/dbraw/zinc/06/15/24/802061524.db2.gz MYEXJDCDXBUQSO-RRQGHBQHSA-N 0 3 318.417 2.468 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CCCOC)[C@H]2C1 ZINC001217375004 802072275 /nfs/dbraw/zinc/07/22/75/802072275.db2.gz PWPMKROCZQIFLG-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CCCCC)C[C@@H]21 ZINC001217420032 802076163 /nfs/dbraw/zinc/07/61/63/802076163.db2.gz CIRQZAXCHLAVBC-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1cccc3nccn31)CC2 ZINC001233362186 802087178 /nfs/dbraw/zinc/08/71/78/802087178.db2.gz RJSAPMFYVTZQJQ-UHFFFAOYSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)COCCCC)[C@H]2C1 ZINC001217590280 802087617 /nfs/dbraw/zinc/08/76/17/802087617.db2.gz HNTITMCOWKBRBF-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C(C)=C3CCC3)[C@H]2C1 ZINC001217834152 802114917 /nfs/dbraw/zinc/11/49/17/802114917.db2.gz DTPQUZXYTYAKMD-DLBZAZTESA-N 0 3 304.434 2.365 20 30 DEEDHN CCCCCCN1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217839032 802115068 /nfs/dbraw/zinc/11/50/68/802115068.db2.gz CDCCTWSSXOUCSN-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN CCOC(=O)c1cn2cccc(CN3CCC(S)CC3)c2n1 ZINC001233459705 802123067 /nfs/dbraw/zinc/12/30/67/802123067.db2.gz UJDRHOSVRNGXGA-UHFFFAOYSA-N 0 3 319.430 2.405 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)[C@@H]2C[C@@H]2C)cc1C#N ZINC001233488708 802128866 /nfs/dbraw/zinc/12/88/66/802128866.db2.gz DXXDXUKMANDBLA-XJKSGUPXSA-N 0 3 315.417 2.161 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](C)C3CCC3)[C@H]2C1 ZINC001218154900 802148332 /nfs/dbraw/zinc/14/83/32/802148332.db2.gz UOGMCPWVGXWJON-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C#C[C@H](Oc1nc2onc(C)c2c2c1CNCC2)c1ccncc1 ZINC001218418644 802180357 /nfs/dbraw/zinc/18/03/57/802180357.db2.gz ULKSJTLAOOHCTK-HNNXBMFYSA-N 0 3 320.352 2.325 20 30 DEEDHN Cc1cc(C#N)c(NC(=O)[C@H](N)CCC(=O)OC(C)(C)C)s1 ZINC001218554031 802203764 /nfs/dbraw/zinc/20/37/64/802203764.db2.gz FUYGOTRLRPWJKP-LLVKDONJSA-N 0 3 323.418 2.316 20 30 DEEDHN N#Cc1cccc(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)n1 ZINC001218587991 802211234 /nfs/dbraw/zinc/21/12/34/802211234.db2.gz NXIIQRLOEKJFLR-CYPWDGBBSA-N 0 3 310.401 2.435 20 30 DEEDHN C[C@@H]1CCN[C@@H](C(=O)Nc2c(C#N)cnnc2-c2ccccc2)C1 ZINC001218717049 802231488 /nfs/dbraw/zinc/23/14/88/802231488.db2.gz NRFDCTLQACLLOJ-IUODEOHRSA-N 0 3 321.384 2.342 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001233938192 802246396 /nfs/dbraw/zinc/24/63/96/802246396.db2.gz UARQXRQHLOWGAY-HKUYNNGSSA-N 0 3 316.445 2.089 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC[C@H]1CCCCO1 ZINC001233946986 802249714 /nfs/dbraw/zinc/24/97/14/802249714.db2.gz GZSLGZJSPGEOTG-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NC2(C#N)CCC2)cc1 ZINC001219607878 802354876 /nfs/dbraw/zinc/35/48/76/802354876.db2.gz FOQHAVPWKUCOTP-HNNXBMFYSA-N 0 3 315.417 2.296 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001219689772 802366452 /nfs/dbraw/zinc/36/64/52/802366452.db2.gz IQJLYMCABJNZBT-CVEARBPZSA-N 0 3 312.429 2.056 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCCCC)C[C@@H]1O ZINC001219689844 802366838 /nfs/dbraw/zinc/36/68/38/802366838.db2.gz LZKWPPZOYUXSKT-SJORKVTESA-N 0 3 308.466 2.496 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220146991 802414723 /nfs/dbraw/zinc/41/47/23/802414723.db2.gz WSEMOLKMTDNFLH-MSOLQXFVSA-N 0 3 320.477 2.312 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@@H]1O ZINC001220141338 802415483 /nfs/dbraw/zinc/41/54/83/802415483.db2.gz PNAOPUCRZPJICN-OIISXLGYSA-N 0 3 316.445 2.430 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001234574562 802418897 /nfs/dbraw/zinc/41/88/97/802418897.db2.gz UWKZUPZVXJYSHT-GFCCVEGCSA-N 0 3 309.360 2.472 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001220274991 802435695 /nfs/dbraw/zinc/43/56/95/802435695.db2.gz KQSQONYNWSYDBR-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@@H](O)C1 ZINC001220310878 802443548 /nfs/dbraw/zinc/44/35/48/802443548.db2.gz MGTMWPFVQDOWQQ-ZMMAXQRCSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H](O)C1 ZINC001220328584 802444604 /nfs/dbraw/zinc/44/46/04/802444604.db2.gz LKYODCBZDIQXJK-OLZOCXBDSA-N 0 3 318.408 2.185 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@@H](O)C1 ZINC001220420304 802457172 /nfs/dbraw/zinc/45/71/72/802457172.db2.gz UWNBJELDYRFGIX-WKULXVSPSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2O)CCCC1 ZINC001221199484 802537423 /nfs/dbraw/zinc/53/74/23/802537423.db2.gz XJSGQHJSNQGCMA-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001221256248 802544012 /nfs/dbraw/zinc/54/40/12/802544012.db2.gz QEVQYPYPXVJWRK-BRWVUGGUSA-N 0 3 304.434 2.078 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221517785 802587370 /nfs/dbraw/zinc/58/73/70/802587370.db2.gz JWJUOQYPADJVNO-LMMKCTJWSA-N 0 3 314.429 2.046 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCCCOCCC=C)[C@@H]2C1 ZINC001221551517 802592822 /nfs/dbraw/zinc/59/28/22/802592822.db2.gz CJRPQJPJPZLEBU-QZTJIDSGSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)CC(C)C)[C@@H]2C1 ZINC001221899065 802625839 /nfs/dbraw/zinc/62/58/39/802625839.db2.gz KHBHZECIRUUDRG-BRWVUGGUSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001222067404 802637224 /nfs/dbraw/zinc/63/72/24/802637224.db2.gz HNMMGLQXUJNQTH-GOEBONIOSA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CCCC1 ZINC001222152609 802650074 /nfs/dbraw/zinc/65/00/74/802650074.db2.gz XIUKUVIRGVSCEN-HZPDHXFCSA-N 0 3 306.450 2.038 20 30 DEEDHN C=CCOCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001222619560 802717602 /nfs/dbraw/zinc/71/76/02/802717602.db2.gz RSFADZARIHLRSR-UHFFFAOYSA-N 0 3 308.447 2.279 20 30 DEEDHN N#Cc1ccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)nc1 ZINC001222980698 802754977 /nfs/dbraw/zinc/75/49/77/802754977.db2.gz AVQWLAGWNCVKHR-CALCHBBNSA-N 0 3 301.390 2.113 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCC1CCN(CC#CC)CC1)OCC ZINC001223373820 802785904 /nfs/dbraw/zinc/78/59/04/802785904.db2.gz FPWDHFLZBGZNJJ-QGZVFWFLSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001223436651 802789315 /nfs/dbraw/zinc/78/93/15/802789315.db2.gz HXXCTJXPNVMDMG-MSOLQXFVSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC001223604913 802803932 /nfs/dbraw/zinc/80/39/32/802803932.db2.gz OGNDPIAEJPYMQO-MRXNPFEDSA-N 0 3 313.445 2.427 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001223799598 802816014 /nfs/dbraw/zinc/81/60/14/802816014.db2.gz CDCKBLAUZOEHBQ-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC001225095718 802935585 /nfs/dbraw/zinc/93/55/85/802935585.db2.gz WUUKUNYFNIUVBU-ROUUACIJSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001225103652 802935870 /nfs/dbraw/zinc/93/58/70/802935870.db2.gz VYZYOHJDAYYUQX-SJORKVTESA-N 0 3 306.450 2.043 20 30 DEEDHN CO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225120470 802937444 /nfs/dbraw/zinc/93/74/44/802937444.db2.gz AASDMJVMWBYGOT-KBAYOESNSA-N 0 3 314.429 2.090 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)CCC ZINC001225307540 802954116 /nfs/dbraw/zinc/95/41/16/802954116.db2.gz KGSLUHMVZSAZEX-BZUAXINKSA-N 0 3 323.481 2.274 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC001225393070 802960473 /nfs/dbraw/zinc/96/04/73/802960473.db2.gz GFJUIQMOFRTLEQ-UHFFFAOYSA-N 0 3 310.441 2.179 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCCCCOCC)CC1 ZINC001225618200 802991528 /nfs/dbraw/zinc/99/15/28/802991528.db2.gz XHMQRTXLIHBTAF-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001225626318 802992914 /nfs/dbraw/zinc/99/29/14/802992914.db2.gz ZLMKKXVACPDVLS-OAHLLOKOSA-N 0 3 317.433 2.001 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCc2cncc(F)c2)CC1 ZINC001225695138 803003121 /nfs/dbraw/zinc/00/31/21/803003121.db2.gz XBNIERRYKXNONZ-UHFFFAOYSA-N 0 3 317.408 2.005 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2cccs2)CC1 ZINC001225813036 803016003 /nfs/dbraw/zinc/01/60/03/803016003.db2.gz NTCSSTRTDLXLDV-UHFFFAOYSA-N 0 3 308.447 2.074 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001225920916 803029638 /nfs/dbraw/zinc/02/96/38/803029638.db2.gz HYZDRBACBRJEID-HZPDHXFCSA-N 0 3 303.406 2.304 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CCC(F)(F)F)CC1 ZINC001226759840 803154750 /nfs/dbraw/zinc/15/47/50/803154750.db2.gz BZGQLZRPCXPDFZ-UHFFFAOYSA-N 0 3 308.344 2.112 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001227258329 803222932 /nfs/dbraw/zinc/22/29/32/803222932.db2.gz OFVONSSLDOGIFL-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001331002261 1149357049 /nfs/dbraw/zinc/35/70/49/1149357049.db2.gz XMMXMTFAKGCPHL-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001331323073 1149418669 /nfs/dbraw/zinc/41/86/69/1149418669.db2.gz AJLBUDQHEGAFMY-FUHWJXTLSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1ccnc(N(C)C)c1 ZINC001331408283 1149437812 /nfs/dbraw/zinc/43/78/12/1149437812.db2.gz XLHQJGYDLQXQFI-CQSZACIVSA-N 0 3 304.438 2.050 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2nc(C)cs2)C1 ZINC001419494676 1168535178 /nfs/dbraw/zinc/53/51/78/1168535178.db2.gz UHMLDOZWXVHYLT-TXEJJXNPSA-N 0 3 313.854 2.373 20 30 DEEDHN CC#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(OC)nc1 ZINC001331535931 1149516342 /nfs/dbraw/zinc/51/63/42/1149516342.db2.gz YZPVGHZCROGFEZ-HNNXBMFYSA-N 0 3 317.433 2.220 20 30 DEEDHN CC[C@@H](C)OCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001419656879 1168764616 /nfs/dbraw/zinc/76/46/16/1168764616.db2.gz KKJSXMXWDJJETJ-QWHCGFSZSA-N 0 3 323.462 2.371 20 30 DEEDHN C=CCCCC[NH2+]Cc1cc(-c2nnn[n-]2)ccc1N(C)C ZINC001573335813 947489836 /nfs/dbraw/zinc/48/98/36/947489836.db2.gz VOMPDUKSPZTLGM-UHFFFAOYSA-N 0 3 300.410 2.379 20 30 DEEDHN C=CCCCC[NH2+]Cc1cc(-c2nn[n-]n2)ccc1N(C)C ZINC001573335813 947489845 /nfs/dbraw/zinc/48/98/45/947489845.db2.gz VOMPDUKSPZTLGM-UHFFFAOYSA-N 0 3 300.410 2.379 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1COc2c(F)cc(F)cc2C1 ZINC001343231668 1150714598 /nfs/dbraw/zinc/71/45/98/1150714598.db2.gz AZDOIYPJVOIHGO-OCCSQVGLSA-N 0 3 310.344 2.068 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](CO)N[C@@H]1CCc2c1cccc2F ZINC001331774313 1149671416 /nfs/dbraw/zinc/67/14/16/1149671416.db2.gz KXCMVEFWYQXWOV-SUMWQHHRSA-N 0 3 320.408 2.236 20 30 DEEDHN CC(C)(C)c1ncc(CNCCNc2ncccc2C#N)cn1 ZINC001344127028 1150798213 /nfs/dbraw/zinc/79/82/13/1150798213.db2.gz WNNJFHTVTNFJBG-UHFFFAOYSA-N 0 3 310.405 2.242 20 30 DEEDHN C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)C1CCN(C)C1=O ZINC001344498993 1150826539 /nfs/dbraw/zinc/82/65/39/1150826539.db2.gz MIZHFJQSABMCNV-UONOGXRCSA-N 0 3 309.482 2.448 20 30 DEEDHN N#C[C@@H]1CC[C@H](OC(=O)C2CCN(Cc3ccccc3)C2=O)C1 ZINC001345098561 1150864715 /nfs/dbraw/zinc/86/47/15/1150864715.db2.gz SEZDYXOVTCZVGQ-OWCLPIDISA-N 0 3 312.369 2.271 20 30 DEEDHN C#CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001602703313 1069732214 /nfs/dbraw/zinc/73/22/14/1069732214.db2.gz NSAXNNQSELSZLW-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001602703313 1069732226 /nfs/dbraw/zinc/73/22/26/1069732226.db2.gz NSAXNNQSELSZLW-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001602703313 1069732235 /nfs/dbraw/zinc/73/22/35/1069732235.db2.gz NSAXNNQSELSZLW-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001602703313 1069732243 /nfs/dbraw/zinc/73/22/43/1069732243.db2.gz NSAXNNQSELSZLW-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CCN1CCC[C@@H]([NH2+][C@H](CC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001602721280 1069737561 /nfs/dbraw/zinc/73/75/61/1069737561.db2.gz COOYEZOCSGBIMB-IAGOWNOFSA-N 0 3 324.432 2.005 20 30 DEEDHN C#CCN1CCC[C@@H]([NH2+][C@H](CC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001602721280 1069737569 /nfs/dbraw/zinc/73/75/69/1069737569.db2.gz COOYEZOCSGBIMB-IAGOWNOFSA-N 0 3 324.432 2.005 20 30 DEEDHN C=CCCCC[N@@H+](C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001602838141 1069773844 /nfs/dbraw/zinc/77/38/44/1069773844.db2.gz QXUVONKKYBFEGG-OAHLLOKOSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CCCCC[N@H+](C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001602838141 1069773849 /nfs/dbraw/zinc/77/38/49/1069773849.db2.gz QXUVONKKYBFEGG-OAHLLOKOSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CCCCC[N@@H+](C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602838141 1069773851 /nfs/dbraw/zinc/77/38/51/1069773851.db2.gz QXUVONKKYBFEGG-OAHLLOKOSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CCCCC[N@H+](C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602838141 1069773856 /nfs/dbraw/zinc/77/38/56/1069773856.db2.gz QXUVONKKYBFEGG-OAHLLOKOSA-N 0 3 301.394 2.188 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001328603912 1148815789 /nfs/dbraw/zinc/81/57/89/1148815789.db2.gz FBXPQWMHXQOEMT-JSGCOSHPSA-N 0 3 305.426 2.111 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001526564313 1070308173 /nfs/dbraw/zinc/30/81/73/1070308173.db2.gz AEDUHLZDQZSYBT-CJNGLKHVSA-N 0 3 316.401 2.036 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(C)n1 ZINC001328683607 1148823963 /nfs/dbraw/zinc/82/39/63/1148823963.db2.gz MUTPYCHJIJOGEQ-RTBURBONSA-N 0 3 319.408 2.399 20 30 DEEDHN C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC001604808663 1070499860 /nfs/dbraw/zinc/49/98/60/1070499860.db2.gz GRIYXGTVAQYHDN-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC001604808663 1070499863 /nfs/dbraw/zinc/49/98/63/1070499863.db2.gz GRIYXGTVAQYHDN-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC001604808663 1070499868 /nfs/dbraw/zinc/49/98/68/1070499868.db2.gz GRIYXGTVAQYHDN-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC001604808663 1070499872 /nfs/dbraw/zinc/49/98/72/1070499872.db2.gz GRIYXGTVAQYHDN-UHFFFAOYSA-N 0 3 304.357 2.370 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1ccc(F)cc1 ZINC001328786240 1148834888 /nfs/dbraw/zinc/83/48/88/1148834888.db2.gz NJCUTBIMVKSLJN-OAHLLOKOSA-N 0 3 306.381 2.313 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H]1CN(C)C[C@H]1CCCCO1 ZINC001328797504 1148836647 /nfs/dbraw/zinc/83/66/47/1148836647.db2.gz OLTOBNQVQNWSBL-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001529889946 1071104772 /nfs/dbraw/zinc/10/47/72/1071104772.db2.gz DUBBTSIHGKSTHN-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1ncccc1CN1CCCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001369063618 1148839808 /nfs/dbraw/zinc/83/98/08/1148839808.db2.gz SKNZCTSEMCGZCG-RHSMWYFYSA-N 0 3 314.433 2.411 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NC(=O)CN1CCC[C@H]1C ZINC001531218825 1071460980 /nfs/dbraw/zinc/46/09/80/1071460980.db2.gz HCTMAXACAKTKEK-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H](C)NC(=O)C(F)F ZINC001328967108 1148853090 /nfs/dbraw/zinc/85/30/90/1148853090.db2.gz BNORNMKQZRDIRB-GHMZBOCLSA-N 0 3 314.763 2.439 20 30 DEEDHN O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC(N2CCC2)CC1 ZINC001453777118 1057366192 /nfs/dbraw/zinc/36/61/92/1057366192.db2.gz XFOAAVBWUBZOHO-DAXSKMNVSA-N 0 3 316.376 2.105 20 30 DEEDHN COCC#CCN(C)CCCOc1cc(OC)cc(OC)c1 ZINC001459750741 1058211667 /nfs/dbraw/zinc/21/16/67/1058211667.db2.gz XWCRDNQQTLXZLH-UHFFFAOYSA-N 0 3 307.390 2.054 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NCCC ZINC001499896970 1058353757 /nfs/dbraw/zinc/35/37/57/1058353757.db2.gz KBFGUUXNEQNAST-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NCCC ZINC001499896973 1058355617 /nfs/dbraw/zinc/35/56/17/1058355617.db2.gz KBFGUUXNEQNAST-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CCc2csc(C)n2)CC1 ZINC001499998488 1058423665 /nfs/dbraw/zinc/42/36/65/1058423665.db2.gz PNPLNUBHWKSXJU-UHFFFAOYSA-N 0 3 319.474 2.378 20 30 DEEDHN C#CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1CCN(CCO)CC1 ZINC001500054574 1058454844 /nfs/dbraw/zinc/45/48/44/1058454844.db2.gz QXDPVITWCJPXCN-MRXNPFEDSA-N 0 3 322.493 2.367 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H](NC(C)=O)C1CCCC1 ZINC001500063104 1058463355 /nfs/dbraw/zinc/46/33/55/1058463355.db2.gz IGCJCHOKOQNGMA-RHSMWYFYSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CC[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001500072301 1058467944 /nfs/dbraw/zinc/46/79/44/1058467944.db2.gz YGKWEEZUIZQHDG-MRXNPFEDSA-N 0 3 300.402 2.294 20 30 DEEDHN COC(=O)C[C@@](C)(NCc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC001460661719 1058486577 /nfs/dbraw/zinc/48/65/77/1058486577.db2.gz DVOFFDLXSFNETD-MRXNPFEDSA-N 0 3 317.345 2.288 20 30 DEEDHN CC[C@H](C)C(=O)N1CCCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001500154212 1058527399 /nfs/dbraw/zinc/52/73/99/1058527399.db2.gz GEGYJSDYQNIKKE-HKUYNNGSSA-N 0 3 320.477 2.387 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@](C)(CN[C@@H](C)c2cnccn2)C1 ZINC001500345244 1058709096 /nfs/dbraw/zinc/70/90/96/1058709096.db2.gz CZOZARCMKHWSDQ-YJBOKZPZSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ncn3ccc(C)cc23)CC1 ZINC001500433824 1058778406 /nfs/dbraw/zinc/77/84/06/1058778406.db2.gz MCOPOFIPHYXHQR-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCOCC(F)F)C1 ZINC001500496036 1058846535 /nfs/dbraw/zinc/84/65/35/1058846535.db2.gz OMTSHOWXSNAIMX-HNNXBMFYSA-N 0 3 304.381 2.063 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ncccc2CC)C1 ZINC001500505090 1058864600 /nfs/dbraw/zinc/86/46/00/1058864600.db2.gz JCBBSZOFSATBKQ-LJQANCHMSA-N 0 3 313.445 2.499 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CN(CCCCCF)CCC1(F)F ZINC001500608201 1058954795 /nfs/dbraw/zinc/95/47/95/1058954795.db2.gz WGKWURXLNSNCGS-STQMWFEESA-N 0 3 319.371 2.359 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](C)[C@@H](CNCc2cnc(C)o2)C1 ZINC001501132505 1059313074 /nfs/dbraw/zinc/31/30/74/1059313074.db2.gz IOLOACHVNWOHLU-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001501322648 1059447297 /nfs/dbraw/zinc/44/72/97/1059447297.db2.gz AGWPDTVTTABQJL-FRQCXROJSA-N 0 3 320.477 2.025 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cn(C)nc1C ZINC001501378273 1059477359 /nfs/dbraw/zinc/47/73/59/1059477359.db2.gz PGHNCGFAJKCYLF-SJORKVTESA-N 0 3 316.449 2.260 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@H]3[C@H]2CCN3CCO)CCCCC1 ZINC001501408096 1059495915 /nfs/dbraw/zinc/49/59/15/1059495915.db2.gz OLVBRFOFLUHZOU-DLBZAZTESA-N 0 3 318.461 2.018 20 30 DEEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001329030457 1148859085 /nfs/dbraw/zinc/85/90/85/1148859085.db2.gz AWNPWQNGKIITGT-ZIAGYGMSSA-N 0 3 313.376 2.302 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCOC(C)C)cc1 ZINC001501674367 1059627658 /nfs/dbraw/zinc/62/76/58/1059627658.db2.gz XSEVBOIHZWSYOG-HNNXBMFYSA-N 0 3 302.418 2.402 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001533724692 1071896761 /nfs/dbraw/zinc/89/67/61/1071896761.db2.gz LPBBTXMMVQJDIE-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001467728221 1059694981 /nfs/dbraw/zinc/69/49/81/1059694981.db2.gz AKFUEYKETSIVCY-UHFFFAOYSA-N 0 3 304.316 2.008 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H]2COc3cc(C)c(C)cc32)CCC1 ZINC001501986076 1059835224 /nfs/dbraw/zinc/83/52/24/1059835224.db2.gz RBRSLEGUWDPXSL-INIZCTEOSA-N 0 3 312.413 2.041 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H]2CCc3ccccc3O2)CCC1 ZINC001502010195 1059862355 /nfs/dbraw/zinc/86/23/55/1059862355.db2.gz JBGYFZCMBCMBQV-QGZVFWFLSA-N 0 3 312.413 2.032 20 30 DEEDHN CCc1ccc(C(=O)NCC2(NCC#CCOC)CCC2)cc1 ZINC001502022506 1059876927 /nfs/dbraw/zinc/87/69/27/1059876927.db2.gz JMVXDUYFNRUJOM-UHFFFAOYSA-N 0 3 314.429 2.141 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)CCO1 ZINC001502094116 1059924449 /nfs/dbraw/zinc/92/44/49/1059924449.db2.gz ARYHOBAVISHFEX-MNNVXMFVSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001502099887 1059929807 /nfs/dbraw/zinc/92/98/07/1059929807.db2.gz RXUWAQOPKHWZAK-HFLUPCSWSA-N 0 3 305.466 2.137 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N2CCN(CC(C)C)CC2)C1 ZINC001502101385 1059933318 /nfs/dbraw/zinc/93/33/18/1059933318.db2.gz AISMRACNEOEXBI-MSOLQXFVSA-N 0 3 321.509 2.463 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CCOc2ccccc2)CC1 ZINC001502148025 1059997662 /nfs/dbraw/zinc/99/76/62/1059997662.db2.gz VJTYVQHZIACMTQ-KRWDZBQOSA-N 0 3 314.429 2.450 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](CC)Oc1ccccc1F ZINC001502390704 1060104801 /nfs/dbraw/zinc/10/48/01/1060104801.db2.gz OUEZQMPOETVMFE-MRXNPFEDSA-N 0 3 320.408 2.397 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[C@@H]2CCOC2)C1 ZINC001369170263 1148860594 /nfs/dbraw/zinc/86/05/94/1148860594.db2.gz NFTBLLVQXMGNEV-MGPQQGTHSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCCCN1CCN(CC#CC)CC1 ZINC001503745234 1060466069 /nfs/dbraw/zinc/46/60/69/1060466069.db2.gz WBSJUFRJMHCURD-UHFFFAOYSA-N 0 3 319.493 2.126 20 30 DEEDHN COCC#CCN1CCC2(CC1)CCN(C(=O)CCCF)CC2 ZINC001503764952 1060468422 /nfs/dbraw/zinc/46/84/22/1060468422.db2.gz XXOWYWRKFUISQK-UHFFFAOYSA-N 0 3 324.440 2.091 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001505386306 1060516487 /nfs/dbraw/zinc/51/64/87/1060516487.db2.gz KKDMDEIEPGCMAP-CVEARBPZSA-N 0 3 308.466 2.332 20 30 DEEDHN CCN(CC)[C@H](CNc1cnc(C#N)c(C#N)n1)c1ccco1 ZINC001472675069 1060567249 /nfs/dbraw/zinc/56/72/49/1060567249.db2.gz LPFXLPHODTZZTI-CQSZACIVSA-N 0 3 310.361 2.308 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1onc2c1CCCC2 ZINC001505438821 1060603147 /nfs/dbraw/zinc/60/31/47/1060603147.db2.gz PIHKMRYNAWBAEL-CYBMUJFWSA-N 0 3 303.406 2.276 20 30 DEEDHN COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001505601909 1060765236 /nfs/dbraw/zinc/76/52/36/1060765236.db2.gz BRMFPPKEAZTANO-ZIAGYGMSSA-N 0 3 317.433 2.123 20 30 DEEDHN CC(C)(C)CC(=O)N1CCC(NCC2(C#N)CCOCC2)CC1 ZINC001474298290 1060846218 /nfs/dbraw/zinc/84/62/18/1060846218.db2.gz NSHVSJIEBXHVQY-UHFFFAOYSA-N 0 3 321.465 2.324 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1c(C)n[nH]c1C ZINC001479264739 1061346285 /nfs/dbraw/zinc/34/62/85/1061346285.db2.gz LPMKTWPMSAKIJS-HNNXBMFYSA-N 0 3 304.438 2.068 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H](C)SC)C1 ZINC001479355164 1061409427 /nfs/dbraw/zinc/40/94/27/1061409427.db2.gz WLOFCXAAFOMWAF-DCAQKATOSA-N 0 3 321.284 2.131 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2cnc(C)cn2)C1 ZINC001479468869 1061469801 /nfs/dbraw/zinc/46/98/01/1061469801.db2.gz UTHRYFRTJNKYBO-LSDHHAIUSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1ccnc1 ZINC001479525401 1061492128 /nfs/dbraw/zinc/49/21/28/1061492128.db2.gz MAOLQWFAVIWMGH-UKRRQHHQSA-N 0 3 324.856 2.242 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccnn1 ZINC001479526681 1061495104 /nfs/dbraw/zinc/49/51/04/1061495104.db2.gz GMUSLTMGJIADAY-WFASDCNBSA-N 0 3 322.840 2.450 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCOC)C(C)(C)[C@@H]21 ZINC001479611154 1061521638 /nfs/dbraw/zinc/52/16/38/1061521638.db2.gz HCISSEGOKCMJOE-DJIMGWMZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCO[C@H]2CC2(F)F)[C@@H]1CC ZINC001479631697 1061542163 /nfs/dbraw/zinc/54/21/63/1061542163.db2.gz YLULOLFYZIQNOW-MJBXVCDLSA-N 0 3 316.392 2.346 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCCC[C@@H](NCC(=O)N(C)C)C1 ZINC001479687968 1061598100 /nfs/dbraw/zinc/59/81/00/1061598100.db2.gz NXWQSFOYRJYREP-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001479773560 1061729733 /nfs/dbraw/zinc/72/97/33/1061729733.db2.gz ZLLQIQBAQVXIOT-ZDUSSCGKSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001479773560 1061729756 /nfs/dbraw/zinc/72/97/56/1061729756.db2.gz ZLLQIQBAQVXIOT-ZDUSSCGKSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001535268729 1072101916 /nfs/dbraw/zinc/10/19/16/1072101916.db2.gz DLKJCEJARITJTC-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnn(CC2CCCC2)c1 ZINC001479804600 1061802146 /nfs/dbraw/zinc/80/21/46/1061802146.db2.gz JNBVHDGTUMDYPO-UHFFFAOYSA-N 0 3 316.449 2.148 20 30 DEEDHN C=CCCC(=O)N(C)CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001351479125 1151554624 /nfs/dbraw/zinc/55/46/24/1151554624.db2.gz NSCJWTZUBGWNKY-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCc2scnc2C)CC1 ZINC001479894651 1062000237 /nfs/dbraw/zinc/00/02/37/1062000237.db2.gz ZBAPUJGMSNEVIA-UHFFFAOYSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCN1CC[C@H](NC[C@@H](CCCC)NC(=O)C(C)(C)C)C1=O ZINC001506556096 1062125770 /nfs/dbraw/zinc/12/57/70/1062125770.db2.gz JKSUZKNAYOPPEP-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001479981815 1062142114 /nfs/dbraw/zinc/14/21/14/1062142114.db2.gz RNAMZVCDSQPISN-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCOCCN1CCCCC[C@@H]1CNC(=O)c1ccccn1 ZINC001506570801 1062146481 /nfs/dbraw/zinc/14/64/81/1062146481.db2.gz ZSMUWWFNIHAINN-MRXNPFEDSA-N 0 3 317.433 2.259 20 30 DEEDHN Cc1cc(CN[C@@H](CNC(=O)C#CC(C)C)C2CC2)sn1 ZINC001480016233 1062188434 /nfs/dbraw/zinc/18/84/34/1062188434.db2.gz CGOMQNICGPICRQ-HNNXBMFYSA-N 0 3 305.447 2.095 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC001506630660 1062211051 /nfs/dbraw/zinc/21/10/51/1062211051.db2.gz GBBWQYLMQAZQNV-KSTDHSDQSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCn2ccc3ccccc32)C1 ZINC001506679488 1062273603 /nfs/dbraw/zinc/27/36/03/1062273603.db2.gz XCCJDFCSXMADKQ-INIZCTEOSA-N 0 3 323.440 2.491 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001506707751 1062295870 /nfs/dbraw/zinc/29/58/70/1062295870.db2.gz DOKCPVLNSIDYKO-MAUKXSAKSA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)CN(C)CCCCCC)C(C)(C)C1 ZINC001506750514 1062361043 /nfs/dbraw/zinc/36/10/43/1062361043.db2.gz GMIWOWFAWRQARZ-KRWDZBQOSA-N 0 3 321.509 2.348 20 30 DEEDHN 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20 30 DEEDHN C#CCNC1(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC001569410738 1065496016 /nfs/dbraw/zinc/49/60/16/1065496016.db2.gz XFCFQPNJKNSCBA-CVEARBPZSA-N 0 3 300.377 2.191 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001569493149 1065541330 /nfs/dbraw/zinc/54/13/30/1065541330.db2.gz WUCVLMDBPNTWMH-BPLDGKMQSA-N 0 3 302.422 2.011 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001569493149 1065541341 /nfs/dbraw/zinc/54/13/41/1065541341.db2.gz WUCVLMDBPNTWMH-BPLDGKMQSA-N 0 3 302.422 2.011 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C=C(CC)CC)C2)CC1 ZINC001569579614 1065605452 /nfs/dbraw/zinc/60/54/52/1065605452.db2.gz MYVXGGXHHAWMDF-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C(CC)CC)C2)CC1 ZINC001569579258 1065605575 /nfs/dbraw/zinc/60/55/75/1065605575.db2.gz FXEJCMZFIQOZKS-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C(=O)C1CC1)C1CCN(CCOCCCC)CC1 ZINC001569581282 1065607130 /nfs/dbraw/zinc/60/71/30/1065607130.db2.gz QVBMORXQJRIZFW-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C(=O)c1c[nH]nc1C1CC1)C1CCN(CC=C)CC1 ZINC001569595278 1065612484 /nfs/dbraw/zinc/61/24/84/1065612484.db2.gz JZYCFYYXDIPHND-UHFFFAOYSA-N 0 3 312.417 2.013 20 30 DEEDHN C#CCN(C(=O)Cc1occc1C)C1CCN(CC=C)CC1 ZINC001569592972 1065612801 /nfs/dbraw/zinc/61/28/01/1065612801.db2.gz IVABJHFBXSMUHR-UHFFFAOYSA-N 0 3 300.402 2.243 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@](C)(CNCc2ccn(C)n2)C1 ZINC001569681329 1065668407 /nfs/dbraw/zinc/66/84/07/1065668407.db2.gz JDESPGQZGJKDDU-KRWDZBQOSA-N 0 3 304.438 2.105 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cnc(CC)s2)CC1 ZINC001569708483 1065682178 /nfs/dbraw/zinc/68/21/78/1065682178.db2.gz ANFKIUQCHIMOHG-UHFFFAOYSA-N 0 3 305.447 2.171 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCc2ccco2)C1 ZINC001569710235 1065684345 /nfs/dbraw/zinc/68/43/45/1065684345.db2.gz PZPBUMVTMUNCJB-SFHVURJKSA-N 0 3 302.418 2.454 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C3CC3)nn2C)C1 ZINC001569714794 1065685889 /nfs/dbraw/zinc/68/58/89/1065685889.db2.gz FXFRQJNIIASFQC-SFHVURJKSA-N 0 3 316.449 2.315 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cccc(C)c2Cl)C1 ZINC001569761639 1065709615 /nfs/dbraw/zinc/70/96/15/1065709615.db2.gz AIZRECANUZGRRX-KRWDZBQOSA-N 0 3 322.836 2.391 20 30 DEEDHN C=CCC1(C(=O)NC[C@]2(O)CCN(CC(=C)C)C2)CCCC1 ZINC001569764737 1065714147 /nfs/dbraw/zinc/71/41/47/1065714147.db2.gz DUWNJLJHNBATCR-GOSISDBHSA-N 0 3 306.450 2.252 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC001496835902 1065743374 /nfs/dbraw/zinc/74/33/74/1065743374.db2.gz MHRNIFQCVGFSTR-MRXNPFEDSA-N 0 3 306.454 2.417 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1coc(CC)n1 ZINC001569868233 1065778051 /nfs/dbraw/zinc/77/80/51/1065778051.db2.gz NXSOUAAWOHFWST-UHFFFAOYSA-N 0 3 311.385 2.102 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3c(C)noc3C)C[C@H]2C1 ZINC001569872618 1065780371 /nfs/dbraw/zinc/78/03/71/1065780371.db2.gz HCZCPSAKJKUIAH-GASCZTMLSA-N 0 3 303.406 2.148 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CCOCC1CC1 ZINC001569906171 1065808460 /nfs/dbraw/zinc/80/84/60/1065808460.db2.gz IFNVOHHIXMGHMY-MSOLQXFVSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCCOCC2)cc1 ZINC001570030211 1065892246 /nfs/dbraw/zinc/89/22/46/1065892246.db2.gz PLQVNRDQFCZGPE-QAPCUYQASA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001570183996 1065961236 /nfs/dbraw/zinc/96/12/36/1065961236.db2.gz VTABNHKSZGMUIO-MRXNPFEDSA-N 0 3 318.465 2.493 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)CC1=CCCCC1 ZINC001570192869 1065965279 /nfs/dbraw/zinc/96/52/79/1065965279.db2.gz TWHNGQRYZHARFT-UHFFFAOYSA-N 0 3 306.450 2.307 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccn(-c2ccccc2)n1 ZINC001570200795 1065972693 /nfs/dbraw/zinc/97/26/93/1065972693.db2.gz HZWAMRDDLUZBJJ-UHFFFAOYSA-N 0 3 324.428 2.290 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC001570211969 1065974829 /nfs/dbraw/zinc/97/48/29/1065974829.db2.gz NULYDSAEPPVEDH-IRXDYDNUSA-N 0 3 308.466 2.385 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC001570213749 1065975042 /nfs/dbraw/zinc/97/50/42/1065975042.db2.gz CXAFBUWKKPBKMG-SJORKVTESA-N 0 3 308.466 2.385 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCNCc2ccn(CC)n2)cc1 ZINC001497240799 1065982739 /nfs/dbraw/zinc/98/27/39/1065982739.db2.gz OXZKKYOBSYBFOQ-HNNXBMFYSA-N 0 3 324.428 2.183 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001570508259 1066099137 /nfs/dbraw/zinc/09/91/37/1066099137.db2.gz OPBZJJBCBLFDGS-AEFFLSMTSA-N 0 3 309.413 2.168 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C\CN[C@H](C)C(=O)N1CCCCC1 ZINC001497591724 1066183242 /nfs/dbraw/zinc/18/32/42/1066183242.db2.gz URPFRAFNWXFIQP-OGZRUICASA-N 0 3 321.465 2.006 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001497638835 1066202207 /nfs/dbraw/zinc/20/22/07/1066202207.db2.gz IDYBOOCBKNJDLS-VGOKWCNXSA-N 0 3 300.377 2.141 20 30 DEEDHN C[C@H](CNCc1ccccc1OC1CC1)NC(=O)C#CC1CC1 ZINC001497814799 1066342600 /nfs/dbraw/zinc/34/26/00/1066342600.db2.gz ZEMZYYAVGLWYQG-CQSZACIVSA-N 0 3 312.413 2.236 20 30 DEEDHN CC(C)CC[C@@H](N)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC001575560119 1066353525 /nfs/dbraw/zinc/35/35/25/1066353525.db2.gz ZPSPBNGJDWPSIF-OAHLLOKOSA-N 0 3 314.433 2.229 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNCc1scnc1C ZINC001497936459 1066422021 /nfs/dbraw/zinc/42/20/21/1066422021.db2.gz LBFGFYOEBRAADW-ZLDLUXBVSA-N 0 3 323.462 2.027 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001498033327 1066470587 /nfs/dbraw/zinc/47/05/87/1066470587.db2.gz OTKNQKDHKFIFKR-AWEZNQCLSA-N 0 3 315.392 2.485 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC3(C2)CNC[C@H]3C#N)[C@H]1c1ccccc1 ZINC001576763597 1066683110 /nfs/dbraw/zinc/68/31/10/1066683110.db2.gz VQJZZJBZESMSNE-QBLYZTNASA-N 0 3 309.413 2.345 20 30 DEEDHN CC(C)(C(=O)N[C@H]1CCCC[C@H]1CNCC#N)N1CCCCC1 ZINC001498480101 1066735216 /nfs/dbraw/zinc/73/52/16/1066735216.db2.gz JKYKIELDAZIDQH-HOTGVXAUSA-N 0 3 320.481 2.039 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)c1nccs1 ZINC001498630550 1066811301 /nfs/dbraw/zinc/81/13/01/1066811301.db2.gz SOGNIGZPYQOHFJ-UHFFFAOYSA-N 0 3 318.240 2.103 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCCNC(=O)[C@@H](CC)N(C)C)C1 ZINC001577587991 1066879739 /nfs/dbraw/zinc/87/97/39/1066879739.db2.gz XPAMJORCHWZHIR-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCN(Cc1ccc(OC)cc1OC)C(=O)[C@H](N)CCCC#N ZINC001577736846 1066917648 /nfs/dbraw/zinc/91/76/48/1066917648.db2.gz BVKPZDWFZQVCQO-OAHLLOKOSA-N 0 3 319.405 2.073 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cnns2)[C@H](CC)C1 ZINC001498886073 1066940388 /nfs/dbraw/zinc/94/03/88/1066940388.db2.gz LKQOITYGNBAEJN-HIFRSBDPSA-N 0 3 320.462 2.058 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1CCC1CCOCC1 ZINC001498977508 1066995456 /nfs/dbraw/zinc/99/54/56/1066995456.db2.gz LWWBVYKMARZQMA-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001499006952 1067020001 /nfs/dbraw/zinc/02/00/01/1067020001.db2.gz FWCOEDIQFPFGJQ-AWEZNQCLSA-N 0 3 302.422 2.118 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001499013881 1067027011 /nfs/dbraw/zinc/02/70/11/1067027011.db2.gz WVJNIKAFVHJRSD-CYBMUJFWSA-N 0 3 302.422 2.059 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(O)CCCCc1ccccc1 ZINC001635738564 1078457364 /nfs/dbraw/zinc/45/73/64/1078457364.db2.gz OJQKQHBZGBKOBH-UHFFFAOYSA-N 0 3 317.433 2.365 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001635753146 1078457931 /nfs/dbraw/zinc/45/79/31/1078457931.db2.gz JHWUWLQLUGQHAD-UHFFFAOYSA-N 0 3 303.362 2.113 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1C ZINC001499108186 1067101506 /nfs/dbraw/zinc/10/15/06/1067101506.db2.gz MPMAVZTWBPHJFG-HZPDHXFCSA-N 0 3 323.481 2.158 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001266985906 1078482461 /nfs/dbraw/zinc/48/24/61/1078482461.db2.gz RAVSNNHZGSMSCB-INIZCTEOSA-N 0 3 316.445 2.017 20 30 DEEDHN CON(C(=O)[C@H](N)CCCC#N)[C@@H]1CCCOc2ccccc21 ZINC001579098587 1067234743 /nfs/dbraw/zinc/23/47/43/1067234743.db2.gz MPRGBBLNZJNIQF-HUUCEWRRSA-N 0 3 317.389 2.311 20 30 DEEDHN CO[C@H](C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1)C(C)C ZINC001483380679 1078494828 /nfs/dbraw/zinc/49/48/28/1078494828.db2.gz MMHVGIPBNBNMPH-PBHICJAKSA-N 0 3 317.433 2.166 20 30 DEEDHN COc1cc(CNC(=O)[C@H](N)CC2CCCCC2)ccc1C#N ZINC001579148775 1067242646 /nfs/dbraw/zinc/24/26/46/1067242646.db2.gz BIAPHUHQORQXPU-MRXNPFEDSA-N 0 3 315.417 2.481 20 30 DEEDHN COc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)c(C)c1OC ZINC001579192580 1067252834 /nfs/dbraw/zinc/25/28/34/1067252834.db2.gz AQBIEBTWWKQFLS-OCCSQVGLSA-N 0 3 319.405 2.211 20 30 DEEDHN CCCC(C)(C)C(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001499614715 1067279432 /nfs/dbraw/zinc/27/94/32/1067279432.db2.gz RMRHJDBZCMLRPX-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc(C(F)(F)F)n1 ZINC001483399894 1078507927 /nfs/dbraw/zinc/50/79/27/1078507927.db2.gz XFZSCSDJMLVUPJ-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001267025715 1078512976 /nfs/dbraw/zinc/51/29/76/1078512976.db2.gz NEYJRATXJBOTPU-IBGZPJMESA-N 0 3 310.441 2.322 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@]1(c2ccccc2)CCCO1 ZINC001580050576 1067481669 /nfs/dbraw/zinc/48/16/69/1067481669.db2.gz FSVMZTQFHCWPOQ-SJLPKXTDSA-N 0 3 315.417 2.220 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2(CC)CCOCC2)C1 ZINC001267113574 1078590248 /nfs/dbraw/zinc/59/02/48/1078590248.db2.gz OADBUNDTSSHVOD-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC001267116341 1078594344 /nfs/dbraw/zinc/59/43/44/1078594344.db2.gz FWKGOVKHIFSNQE-WBVHZDCISA-N 0 3 312.413 2.109 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001570542059 1067995644 /nfs/dbraw/zinc/99/56/44/1067995644.db2.gz OCBMJGDHQYWHTF-HNNXBMFYSA-N 0 3 304.438 2.115 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(OC)cccc1OC ZINC001640015584 1078637835 /nfs/dbraw/zinc/63/78/35/1078637835.db2.gz FGVJNLJAXHSVHO-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN CCOCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570586778 1068021547 /nfs/dbraw/zinc/02/15/47/1068021547.db2.gz CMCOTVRLCHFNEG-ZIAGYGMSSA-N 0 3 322.836 2.211 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCCCCC1 ZINC001570630798 1068046480 /nfs/dbraw/zinc/04/64/80/1068046480.db2.gz LUADRAAULISYLR-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C\c2ccc[nH]2)C(C)(C)C1 ZINC001570894836 1068152520 /nfs/dbraw/zinc/15/25/20/1068152520.db2.gz KCAOCZTUMXVSKX-PTZVLDCSSA-N 0 3 317.433 2.057 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@H](CNCc1cncn1C)C1CC1 ZINC001571361216 1068246439 /nfs/dbraw/zinc/24/64/39/1068246439.db2.gz JNFFQXFODIOXMI-MRXNPFEDSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](CNCc1cncn1C)C1CC1 ZINC001571361215 1068246766 /nfs/dbraw/zinc/24/67/66/1068246766.db2.gz JNFFQXFODIOXMI-INIZCTEOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)CN(CC)CC)C[C@@H]1C ZINC001511250381 1068253895 /nfs/dbraw/zinc/25/38/95/1068253895.db2.gz LDCVTLKFKAYFEU-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](CN(C)C(=O)C(C)(C)F)NCC#Cc1ccc(F)cc1 ZINC001571374493 1068257668 /nfs/dbraw/zinc/25/76/68/1068257668.db2.gz CHZMJPZMWGRQPS-CYBMUJFWSA-N 0 3 308.372 2.362 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)NCc1cn(C)nc1C ZINC001571404655 1068278343 /nfs/dbraw/zinc/27/83/43/1068278343.db2.gz PTOAQDRWNDFCLW-GUYCJALGSA-N 0 3 306.454 2.267 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCC(=O)NC1CCCC1 ZINC001571404241 1068278948 /nfs/dbraw/zinc/27/89/48/1068278948.db2.gz IEDXQPQPZMOCMT-KBXCAEBGSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)CC1CCCCCC1 ZINC001571407098 1068280215 /nfs/dbraw/zinc/28/02/15/1068280215.db2.gz OWXHBVHLPHGHLS-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CC(C)C(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@H]1C ZINC001571450350 1068297005 /nfs/dbraw/zinc/29/70/05/1068297005.db2.gz CCWLWNVJTKBGFN-PBHICJAKSA-N 0 3 302.393 2.412 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2c(C)ccn2C)[C@@H]1C ZINC001571517463 1068378051 /nfs/dbraw/zinc/37/80/51/1068378051.db2.gz SKVWSQALBAYVBQ-JKSUJKDBSA-N 0 3 319.449 2.119 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2cnn(C)c2)[C@@H]1C ZINC001571521952 1068390454 /nfs/dbraw/zinc/39/04/54/1068390454.db2.gz ZDYLWMNRXMWIEN-GDBMZVCRSA-N 0 3 318.465 2.144 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CNC(=O)CCC(C)C)[C@@H]1C ZINC001571522483 1068392155 /nfs/dbraw/zinc/39/21/55/1068392155.db2.gz GMFYFAGVQSGBCY-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)N(CCN(C)CC#N)C(=O)c1cccc(CN(C)C)c1 ZINC001571616889 1068441952 /nfs/dbraw/zinc/44/19/52/1068441952.db2.gz PCIUONLJTICQEY-UHFFFAOYSA-N 0 3 316.449 2.054 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)COC3CCCCC3)CC2)CC1 ZINC001571669226 1068471134 /nfs/dbraw/zinc/47/11/34/1068471134.db2.gz SHGMCWQGRDEEIV-UHFFFAOYSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2ccccc2F)CC1 ZINC001571679983 1068475133 /nfs/dbraw/zinc/47/51/33/1068475133.db2.gz WFOKHAXZDMWPHE-UHFFFAOYSA-N 0 3 318.392 2.390 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001571867956 1068559587 /nfs/dbraw/zinc/55/95/87/1068559587.db2.gz BTXCMYPFSNGVJK-GOEBONIOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001483658873 1078758817 /nfs/dbraw/zinc/75/88/17/1078758817.db2.gz MJEILABSMSGDAS-OAHLLOKOSA-N 0 3 304.438 2.083 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1OCCc2ccccc21)C1CC1 ZINC001267331019 1078770451 /nfs/dbraw/zinc/77/04/51/1078770451.db2.gz VIUAGVZGLCLMSI-QGZVFWFLSA-N 0 3 300.402 2.067 20 30 DEEDHN C=C(C)CN(CCNC(=O)C[C@H](OC)C(F)(F)F)C1CC1 ZINC001267336394 1078774259 /nfs/dbraw/zinc/77/42/59/1078774259.db2.gz ONYXVCBTAIOSGC-LBPRGKRZSA-N 0 3 308.344 2.111 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001572642665 1068860487 /nfs/dbraw/zinc/86/04/87/1068860487.db2.gz KJXYTJLDGKEPLC-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCOCCC(=O)N(C)CCNCc1c(C)cccc1Cl ZINC001267372181 1078801018 /nfs/dbraw/zinc/80/10/18/1078801018.db2.gz IIYSPOPJSQNWBL-UHFFFAOYSA-N 0 3 322.836 2.236 20 30 DEEDHN Cc1ccoc1CC(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267426267 1078845914 /nfs/dbraw/zinc/84/59/14/1078845914.db2.gz QWZFREBNMKWHPN-UHFFFAOYSA-N 0 3 311.385 2.250 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC001272391767 1078848012 /nfs/dbraw/zinc/84/80/12/1078848012.db2.gz BIGDFWNDUJZSFB-CYBMUJFWSA-N 0 3 311.813 2.486 20 30 DEEDHN C=CCn1c(N2CCN(C(C)(C)C)CC2)nnc1C1(OC)CC1 ZINC001520663344 1069165783 /nfs/dbraw/zinc/16/57/83/1069165783.db2.gz NVMUTLKJKBIBDD-UHFFFAOYSA-N 0 3 319.453 2.020 20 30 DEEDHN C#Cc1cccc(CNC(=O)Nc2ccnc([C@H]3CCCN3)n2)c1 ZINC001574765751 1069259538 /nfs/dbraw/zinc/25/95/38/1069259538.db2.gz JCLWMZUHNYCSRP-OAHLLOKOSA-N 0 3 321.384 2.204 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC001574849173 1069276448 /nfs/dbraw/zinc/27/64/48/1069276448.db2.gz KEXYXPGPKHEOPH-LBPRGKRZSA-N 0 3 300.761 2.263 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC001574852648 1069277669 /nfs/dbraw/zinc/27/76/69/1069277669.db2.gz XMXBEUANQOSWMH-QWHCGFSZSA-N 0 3 310.781 2.105 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC001574902716 1069292001 /nfs/dbraw/zinc/29/20/01/1069292001.db2.gz DLTWDJAMGZMTAM-ZIAGYGMSSA-N 0 3 314.788 2.312 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@H](C)CSC)c1ccccc1 ZINC001267517664 1078946314 /nfs/dbraw/zinc/94/63/14/1078946314.db2.gz SFRYEBHPYVJZBI-GDBMZVCRSA-N 0 3 304.459 2.456 20 30 DEEDHN CC(C)Oc1ccc(NC(=O)N2CCN3CC[C@H]2C3)cc1C#N ZINC001548603307 1072716955 /nfs/dbraw/zinc/71/69/55/1072716955.db2.gz ILVBYSQUHDNUKX-HNNXBMFYSA-N 0 3 314.389 2.267 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(CO)cc2)C1=O ZINC001272565952 1078964833 /nfs/dbraw/zinc/96/48/33/1078964833.db2.gz TXLJKQLJVOBODO-LJQANCHMSA-N 0 3 314.429 2.322 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(-c3cc[nH]n3)s2)CC1 ZINC001483741676 1078975950 /nfs/dbraw/zinc/97/59/50/1078975950.db2.gz CFRBGMQAJIBTBM-UHFFFAOYSA-N 0 3 314.414 2.014 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ccccc1OC)CC2 ZINC001272601304 1079001625 /nfs/dbraw/zinc/00/16/25/1079001625.db2.gz QKVGNJIOQXYTOM-MRXNPFEDSA-N 0 3 312.413 2.047 20 30 DEEDHN CC(F)(F)CC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483766181 1079090728 /nfs/dbraw/zinc/09/07/28/1079090728.db2.gz UCJNMDHASQPFFZ-UHFFFAOYSA-N 0 3 307.344 2.342 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001267596641 1079114744 /nfs/dbraw/zinc/11/47/44/1079114744.db2.gz QUNJRMDWUXDGEK-DYLGSBMWSA-N 0 3 300.830 2.112 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001481042476 1079117344 /nfs/dbraw/zinc/11/73/44/1079117344.db2.gz HPSVIPJGKMPLOK-CQSZACIVSA-N 0 3 324.371 2.362 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001481062767 1079144345 /nfs/dbraw/zinc/14/43/45/1079144345.db2.gz GBBRMBCFJKESOV-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001481109609 1079194793 /nfs/dbraw/zinc/19/47/93/1079194793.db2.gz BNCVDJODXPVRSL-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(CCOC2CCC2)CC1 ZINC001483979459 1079222659 /nfs/dbraw/zinc/22/26/59/1079222659.db2.gz WTGADMREUDLAPQ-QAPCUYQASA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001483977601 1079222668 /nfs/dbraw/zinc/22/26/68/1079222668.db2.gz YHQAIRVVELQYAF-MOEXGYKKSA-N 0 3 318.461 2.209 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001484038893 1079262006 /nfs/dbraw/zinc/26/20/06/1079262006.db2.gz XROCJQCYIUFYOR-YPMHNXCESA-N 0 3 305.344 2.459 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COc2cc(C)ccc2F)C1 ZINC001484044211 1079263402 /nfs/dbraw/zinc/26/34/02/1079263402.db2.gz QKLIUBOCVFXPFX-KRWDZBQOSA-N 0 3 306.381 2.280 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H](F)Cc1ccccc1 ZINC001481155404 1079263935 /nfs/dbraw/zinc/26/39/35/1079263935.db2.gz YUEXTCNHTLMJGO-QGZVFWFLSA-N 0 3 304.409 2.419 20 30 DEEDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(C)c(C#N)c2)C1(C)C ZINC001646795614 1074621947 /nfs/dbraw/zinc/62/19/47/1074621947.db2.gz ABHFFTFVUYKRRH-MAUKXSAKSA-N 0 3 315.417 2.015 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@]2(CC2(F)F)C1 ZINC001649919541 1079302853 /nfs/dbraw/zinc/30/28/53/1079302853.db2.gz CWBUARCVCUGIRM-ZBFHGGJFSA-N 0 3 322.355 2.419 20 30 DEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001646920128 1074694999 /nfs/dbraw/zinc/69/49/99/1074694999.db2.gz QRAFWHIPZSXLCZ-IQJOONFLSA-N 0 3 308.284 2.125 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001484174226 1079345816 /nfs/dbraw/zinc/34/58/16/1079345816.db2.gz PBHDPSJFGUUGJH-KRWDZBQOSA-N 0 3 304.438 2.092 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCCN1CCC ZINC001557386276 1075063787 /nfs/dbraw/zinc/06/37/87/1075063787.db2.gz FCGLAWBZRBLSNL-OAHLLOKOSA-N 0 3 322.449 2.054 20 30 DEEDHN N#Cc1nccc(N2CCN(c3ccnc4ccccc43)CC2)n1 ZINC001559226736 1075115674 /nfs/dbraw/zinc/11/56/74/1075115674.db2.gz PDFVUIGZHPBUQT-UHFFFAOYSA-N 0 3 316.368 2.223 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](CC=C)C2)c1 ZINC001560027258 1075131329 /nfs/dbraw/zinc/13/13/29/1075131329.db2.gz XEDATBDCQBPGFA-HNNXBMFYSA-N 0 3 311.385 2.214 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001484247071 1079367647 /nfs/dbraw/zinc/36/76/47/1079367647.db2.gz QLMBNLVPXQXPSL-KRWDZBQOSA-N 0 3 322.836 2.309 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(F)ccc(F)c3OC)C2)C1 ZINC001565498790 1075179943 /nfs/dbraw/zinc/17/99/43/1075179943.db2.gz CPCIUSMASXQLJV-UHFFFAOYSA-N 0 3 322.355 2.307 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)Cc1c(C)noc1C ZINC001565832759 1075193718 /nfs/dbraw/zinc/19/37/18/1075193718.db2.gz GUAFHQZZZNUWBT-HNNXBMFYSA-N 0 3 305.422 2.333 20 30 DEEDHN O=C(CC1CC1)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001565836872 1075194480 /nfs/dbraw/zinc/19/44/80/1075194480.db2.gz XMUUMCIQECCQMS-MAEOIBBWSA-N 0 3 314.404 2.462 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cccnc1 ZINC001565964104 1075210946 /nfs/dbraw/zinc/21/09/46/1075210946.db2.gz CILLXPJCSRUYDV-AEFFLSMTSA-N 0 3 313.445 2.458 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCCc2nc(C)no2)[C@@H]1CC ZINC001566008206 1075216177 /nfs/dbraw/zinc/21/61/77/1075216177.db2.gz AGUVYIJINKWGKS-LSDHHAIUSA-N 0 3 320.437 2.246 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C(C)(C)C(F)(F)F)[C@H]1C ZINC001566110947 1075230417 /nfs/dbraw/zinc/23/04/17/1075230417.db2.gz JYHJTXUXWRHMMU-NEPJUHHUSA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccnn1-c1ccccc1)C1CC1 ZINC001566590437 1075291492 /nfs/dbraw/zinc/29/14/92/1075291492.db2.gz OPDZODYBLOMICD-UHFFFAOYSA-N 0 3 322.412 2.090 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCN1CCN(CC(=C)C)CC1 ZINC001566643885 1075303797 /nfs/dbraw/zinc/30/37/97/1075303797.db2.gz VCHZOYKCLDFSFD-SFHVURJKSA-N 0 3 307.482 2.289 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001566663050 1075308229 /nfs/dbraw/zinc/30/82/29/1075308229.db2.gz UGXJQSHUZMMGIP-GOSISDBHSA-N 0 3 314.429 2.034 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001566662119 1075308311 /nfs/dbraw/zinc/30/83/11/1075308311.db2.gz HJVHXXPDTSPFPM-WMZOPIPTSA-N 0 3 314.429 2.032 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccccc2OC)C1 ZINC001566680076 1075316271 /nfs/dbraw/zinc/31/62/71/1075316271.db2.gz RPARPELDVCSZBA-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nccc1C ZINC001566755304 1075336976 /nfs/dbraw/zinc/33/69/76/1075336976.db2.gz ALXSBKNHPPEPAK-OIISXLGYSA-N 0 3 316.449 2.221 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](NCc2cnoc2C)C1)OCC ZINC001566792672 1075346165 /nfs/dbraw/zinc/34/61/65/1075346165.db2.gz UAUYQWLYXSGMKQ-BZUAXINKSA-N 0 3 321.421 2.091 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001566839004 1075358610 /nfs/dbraw/zinc/35/86/10/1075358610.db2.gz JVXDUVNTWKJCLL-KFWWJZLASA-N 0 3 318.392 2.163 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ccc(CC)cn2)C1 ZINC001566965632 1075401616 /nfs/dbraw/zinc/40/16/16/1075401616.db2.gz LAPRCYLTJLTRMX-RDJZCZTQSA-N 0 3 313.445 2.036 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(CCCOc2ccccc2)C1 ZINC001267722353 1079411439 /nfs/dbraw/zinc/41/14/39/1079411439.db2.gz CJVWRAJAJREEQP-KRWDZBQOSA-N 0 3 314.429 2.305 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)c1ccc(F)cn1 ZINC001481222708 1079433873 /nfs/dbraw/zinc/43/38/73/1079433873.db2.gz ZNRCXEVZFNTLTR-UHFFFAOYSA-N 0 3 318.377 2.016 20 30 DEEDHN CN(CCNCc1ccccc1OC1CC1)C(=O)C#CC1CC1 ZINC001481228538 1079437845 /nfs/dbraw/zinc/43/78/45/1079437845.db2.gz AWYJNCFIYZHBPQ-UHFFFAOYSA-N 0 3 312.413 2.189 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001267748311 1079448532 /nfs/dbraw/zinc/44/85/32/1079448532.db2.gz VGKHXHZPWXSJCQ-GOSISDBHSA-N 0 3 314.429 2.063 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001267754820 1079456598 /nfs/dbraw/zinc/45/65/98/1079456598.db2.gz WASQNMODODPXQA-DOTOQJQBSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001329439713 1148895400 /nfs/dbraw/zinc/89/54/00/1148895400.db2.gz BNCNDPQYZABXLQ-OCCSQVGLSA-N 0 3 322.474 2.340 20 30 DEEDHN C=C(C)CC[NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588425038 1076447741 /nfs/dbraw/zinc/44/77/41/1076447741.db2.gz TXBMNJINXDPBJD-UHFFFAOYSA-N 0 3 313.405 2.428 20 30 DEEDHN C=C(C)CC[NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588425038 1076447743 /nfs/dbraw/zinc/44/77/43/1076447743.db2.gz TXBMNJINXDPBJD-UHFFFAOYSA-N 0 3 313.405 2.428 20 30 DEEDHN C=CC[C@@H]1CC[C@H]([NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588561154 1076455115 /nfs/dbraw/zinc/45/51/15/1076455115.db2.gz YGMFGNCASNHIIP-OCCSQVGLSA-N 0 3 313.409 2.008 20 30 DEEDHN C=CC[C@@H]1CC[C@H]([NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588561154 1076455118 /nfs/dbraw/zinc/45/51/18/1076455118.db2.gz YGMFGNCASNHIIP-OCCSQVGLSA-N 0 3 313.409 2.008 20 30 DEEDHN C[N@H+](CCCCC#N)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001591066695 1076707864 /nfs/dbraw/zinc/70/78/64/1076707864.db2.gz DYKGDQIYSOZHDO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN C[N@@H+](CCCCC#N)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001591066695 1076707868 /nfs/dbraw/zinc/70/78/68/1076707868.db2.gz DYKGDQIYSOZHDO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN C[N@H+](CCCCC#N)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001591066695 1076707870 /nfs/dbraw/zinc/70/78/70/1076707870.db2.gz DYKGDQIYSOZHDO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN C[N@@H+](CCCCC#N)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001591066695 1076707872 /nfs/dbraw/zinc/70/78/72/1076707872.db2.gz DYKGDQIYSOZHDO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN C=C(C)CCC(=O)N[C@@](C)(CN[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001267853753 1079541689 /nfs/dbraw/zinc/54/16/89/1079541689.db2.gz QUYRSOIIBYKXJT-PXAZEXFGSA-N 0 3 319.453 2.405 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2cn(C(C)C)nn2)C1 ZINC001484331317 1079545356 /nfs/dbraw/zinc/54/53/56/1079545356.db2.gz JUESEEAENBAHOF-GJZGRUSLSA-N 0 3 319.453 2.152 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2cn(C(C)C)nn2)C1 ZINC001484331315 1079545389 /nfs/dbraw/zinc/54/53/89/1079545389.db2.gz JUESEEAENBAHOF-CABCVRRESA-N 0 3 319.453 2.152 20 30 DEEDHN C=C(C)C[NH2+]C[C@]1(NC(=O)c2cnc[n-]c2=O)CCCC[C@@H]1C ZINC001267869333 1079556217 /nfs/dbraw/zinc/55/62/17/1079556217.db2.gz CUYZEZAFMMJOQQ-SUMWQHHRSA-N 0 3 318.421 2.027 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H](CNCc2cnns2)C1 ZINC001484369640 1079567267 /nfs/dbraw/zinc/56/72/67/1079567267.db2.gz QBSZVQXGWOCMLR-STQMWFEESA-N 0 3 322.478 2.325 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2[C@@H]1CCCN2C(=O)CN(C)C(C)C ZINC001484467925 1079623397 /nfs/dbraw/zinc/62/33/97/1079623397.db2.gz SUJZCPONGVQVBX-GJZGRUSLSA-N 0 3 313.873 2.144 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C)nnc2C)cc1 ZINC001484558769 1079659592 /nfs/dbraw/zinc/65/95/92/1079659592.db2.gz KWGBBVDQUZZGKC-CQSZACIVSA-N 0 3 322.412 2.307 20 30 DEEDHN C=C(C)CCC(=O)NCc1ccc([C@@H](C)N[C@@H](C)C(N)=O)cc1 ZINC001484560361 1079660580 /nfs/dbraw/zinc/66/05/80/1079660580.db2.gz YTTPWIKIDAEGFQ-KGLIPLIRSA-N 0 3 317.433 2.184 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1snnc1C ZINC001267988674 1079670409 /nfs/dbraw/zinc/67/04/09/1079670409.db2.gz XIOOGAHEYLDISA-LLVKDONJSA-N 0 3 310.467 2.291 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H](C)CC(C)C)CCC1 ZINC001484658559 1079714420 /nfs/dbraw/zinc/71/44/20/1079714420.db2.gz GPDIZOHWHNOGIO-MRXNPFEDSA-N 0 3 308.466 2.337 20 30 DEEDHN CC#CCNC1(CNC(=O)C23CC(C(F)(F)F)(C2)C3)CCC1 ZINC001484663418 1079716432 /nfs/dbraw/zinc/71/64/32/1079716432.db2.gz SXEOPPBWQDSDSN-UHFFFAOYSA-N 0 3 314.351 2.371 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001484702241 1079729346 /nfs/dbraw/zinc/72/93/46/1079729346.db2.gz VXGPVNWDXYBBJB-FUHWJXTLSA-N 0 3 319.493 2.217 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)COc2ccc(C)cc2)CC1 ZINC001484725720 1079749312 /nfs/dbraw/zinc/74/93/12/1079749312.db2.gz DSGTTYZOQNYQFM-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1c(C)ncn1C ZINC001496399099 1079776881 /nfs/dbraw/zinc/77/68/81/1079776881.db2.gz KHGARRUXEBZEIU-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c(CC)nn(C)c1Cl ZINC001484765260 1079777889 /nfs/dbraw/zinc/77/78/89/1079777889.db2.gz ZXRBBEWNJPSGGI-UHFFFAOYSA-N 0 3 324.856 2.053 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CC2(F)F)C1 ZINC001481396856 1079782570 /nfs/dbraw/zinc/78/25/70/1079782570.db2.gz MMNSMGWBMQWLDP-KBPBESRZSA-N 0 3 316.392 2.157 20 30 DEEDHN CC#CC[NH2+]C1(CC)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001484806986 1079801507 /nfs/dbraw/zinc/80/15/07/1079801507.db2.gz KWOXCUQPFCEULD-UHFFFAOYSA-N 0 3 300.402 2.390 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)CCC)CCOCC1 ZINC001484861643 1079828116 /nfs/dbraw/zinc/82/81/16/1079828116.db2.gz YUIYNKSBFCBDDX-LBPRGKRZSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2cnoc2C)CCCC1 ZINC001268033967 1079857873 /nfs/dbraw/zinc/85/78/73/1079857873.db2.gz IFZOJDFAMHFQAU-UHFFFAOYSA-N 0 3 303.406 2.305 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1CC(F)(F)C1 ZINC001485053804 1079941350 /nfs/dbraw/zinc/94/13/50/1079941350.db2.gz CYVAECXULIGBND-CQSZACIVSA-N 0 3 316.392 2.157 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1ccc(C)c(F)c1)[C@H]1CCCO1 ZINC001654219340 1079958529 /nfs/dbraw/zinc/95/85/29/1079958529.db2.gz WFRACYMAGUGBEV-JKSUJKDBSA-N 0 3 304.365 2.233 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001485077142 1079962613 /nfs/dbraw/zinc/96/26/13/1079962613.db2.gz YDSNFOOFFCILTJ-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(CCOC)CCC2)C1 ZINC001485109035 1079987102 /nfs/dbraw/zinc/98/71/02/1079987102.db2.gz MCBLAQJRUDLGOF-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN CCOCCN1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001481530760 1080008259 /nfs/dbraw/zinc/00/82/59/1080008259.db2.gz VUXWGXWOMDKYQC-GOSISDBHSA-N 0 3 314.429 2.045 20 30 DEEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C1CCCCCCC1 ZINC001268073729 1080017901 /nfs/dbraw/zinc/01/79/01/1080017901.db2.gz CROZRMUEOIPWRU-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001656077863 1080036139 /nfs/dbraw/zinc/03/61/39/1080036139.db2.gz OUKJNNKZYMLBOT-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)nc1 ZINC001485182211 1080041337 /nfs/dbraw/zinc/04/13/37/1080041337.db2.gz SGNYYQFHTBMZQR-OLZOCXBDSA-N 0 3 305.422 2.285 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cccc(OC)n1 ZINC001485182356 1080041825 /nfs/dbraw/zinc/04/18/25/1080041825.db2.gz TXIZPCVYXCQNNI-GJZGRUSLSA-N 0 3 317.433 2.267 20 30 DEEDHN Cc1cc(CN[C@H]2C[C@@H](CNC(=O)C#CC(C)(C)C)C2)sn1 ZINC001656131870 1080052150 /nfs/dbraw/zinc/05/21/50/1080052150.db2.gz AKPYNOWSKQMETD-OKILXGFUSA-N 0 3 319.474 2.485 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@@H](NCc2conc2CC)C1 ZINC001656150525 1080054941 /nfs/dbraw/zinc/05/49/41/1080054941.db2.gz MOIJMPVTFWCDIR-FZNQNYSPSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001656157420 1080057271 /nfs/dbraw/zinc/05/72/71/1080057271.db2.gz QWMKACKCWHZLKN-JKIFEVAISA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CC[C@@H](NCc2cc(C)n(C)n2)C1 ZINC001656337240 1080078955 /nfs/dbraw/zinc/07/89/55/1080078955.db2.gz BVXDUBZEIPAQEK-JKSUJKDBSA-N 0 3 318.465 2.459 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C1CCC(NCc2ccn(C)n2)CC1 ZINC001485239971 1080090731 /nfs/dbraw/zinc/09/07/31/1080090731.db2.gz JQYNWHUSTFDDIP-UHFFFAOYSA-N 0 3 318.465 2.492 20 30 DEEDHN C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)COC)C1 ZINC001656673824 1080113758 /nfs/dbraw/zinc/11/37/58/1080113758.db2.gz YEMBXJSLKAPRCR-IAGOWNOFSA-N 0 3 320.408 2.322 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@@H](C)O)[C@@H]2C)CCCCC1 ZINC001657043515 1080149374 /nfs/dbraw/zinc/14/93/74/1080149374.db2.gz FMTGFRVCTSAGOT-OAGGEKHMSA-N 0 3 308.466 2.473 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN([C@H](CC)C(N)=O)CC(C)(C)C1 ZINC001657102272 1080155934 /nfs/dbraw/zinc/15/59/34/1080155934.db2.gz QIHDDBUGNGBFQN-ZIAGYGMSSA-N 0 3 323.481 2.069 20 30 DEEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cnnn2CC)C1 ZINC001268194709 1080183059 /nfs/dbraw/zinc/18/30/59/1080183059.db2.gz LLLLDQNHYUTFAZ-HNNXBMFYSA-N 0 3 321.469 2.463 20 30 DEEDHN CCCC[C@H](CNCc1cn(C)nc1C)NC(=O)C#CC(C)C ZINC001485464048 1080221739 /nfs/dbraw/zinc/22/17/39/1080221739.db2.gz SUYSXKVBVJPUSS-QGZVFWFLSA-N 0 3 318.465 2.153 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(-c2cnco2)cc1 ZINC001268239681 1080222338 /nfs/dbraw/zinc/22/23/38/1080222338.db2.gz DNCNSVDBGPJHLB-UHFFFAOYSA-N 0 3 311.385 2.369 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CCO[C@@H]1CC1(F)F ZINC001268244420 1080227816 /nfs/dbraw/zinc/22/78/16/1080227816.db2.gz CAVNVBSNWKKHQO-GFCCVEGCSA-N 0 3 304.381 2.013 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001329500702 1148901880 /nfs/dbraw/zinc/90/18/80/1148901880.db2.gz LLVMWLANHRKSSN-JTQLQIEISA-N 0 3 306.435 2.179 20 30 DEEDHN C=C[C@@H](CC(=O)N(C)CCN(C)C[C@H](C)O)c1ccccc1 ZINC001268260756 1080238294 /nfs/dbraw/zinc/23/82/94/1080238294.db2.gz YVSQDGPQXQDVBJ-HOTGVXAUSA-N 0 3 304.434 2.117 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001485521097 1080278262 /nfs/dbraw/zinc/27/82/62/1080278262.db2.gz YDHYHWSXPNKOET-ZBFHGGJFSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCCC(=O)N[C@H]1CN(Cc2ccc(CO)cc2)CC1(C)C ZINC001485562895 1080306833 /nfs/dbraw/zinc/30/68/33/1080306833.db2.gz CTUKPZDOWFQHJJ-KRWDZBQOSA-N 0 3 316.445 2.472 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2cccnc2)C(C)(C)C1 ZINC001485581584 1080311606 /nfs/dbraw/zinc/31/16/06/1080311606.db2.gz GTNNONNSHSNYPH-MRXNPFEDSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001481705340 1080328387 /nfs/dbraw/zinc/32/83/87/1080328387.db2.gz XLWHJHBJUSWPCZ-MRXNPFEDSA-N 0 3 322.836 2.276 20 30 DEEDHN C=CC1(CC(=O)NC[C@@H](O)CNC/C=C/Cl)CCCCC1 ZINC001268327867 1080329702 /nfs/dbraw/zinc/32/97/02/1080329702.db2.gz KVPGEUUUQTXPCH-MRZGDXHCSA-N 0 3 314.857 2.332 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)N(CC)CC ZINC001660431351 1080330380 /nfs/dbraw/zinc/33/03/80/1080330380.db2.gz ASHMPTGHCFRHMG-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](C)c2ccccc2OC)C1 ZINC001481708341 1080334988 /nfs/dbraw/zinc/33/49/88/1080334988.db2.gz BZUQPRRVEQTWJQ-HZPDHXFCSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001485627316 1080339908 /nfs/dbraw/zinc/33/99/08/1080339908.db2.gz MUHVLLNSCROBJD-OWYHZJEWSA-N 0 3 310.441 2.183 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001660665511 1080377678 /nfs/dbraw/zinc/37/76/78/1080377678.db2.gz ILBLWXBHXUWWIT-PIIMJCKOSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(Cl)CN(CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001660690744 1080379903 /nfs/dbraw/zinc/37/99/03/1080379903.db2.gz CYWLBMXVONMXMF-UHFFFAOYSA-N 0 3 313.873 2.194 20 30 DEEDHN CC#CCN(CCCNC(=O)c1nc(C)c(C)s1)C1CC1 ZINC001660753578 1080391554 /nfs/dbraw/zinc/39/15/54/1080391554.db2.gz VEVPOBJJIOZLHW-UHFFFAOYSA-N 0 3 305.447 2.368 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001660771922 1080394821 /nfs/dbraw/zinc/39/48/21/1080394821.db2.gz DVBGIJYRFVJTNQ-CQSZACIVSA-N 0 3 320.458 2.209 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001481732048 1080401568 /nfs/dbraw/zinc/40/15/68/1080401568.db2.gz FUTIGUHCDMECEH-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCN[C@H](C)c2cnccn2)C1 ZINC001268398159 1080422961 /nfs/dbraw/zinc/42/29/61/1080422961.db2.gz HBRWJRDBKYSRGD-ZIAGYGMSSA-N 0 3 302.422 2.378 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001661041002 1080433553 /nfs/dbraw/zinc/43/35/53/1080433553.db2.gz BNBBOMFFLAEUIU-MRXNPFEDSA-N 0 3 309.413 2.314 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)Oc2ccccc2)C1 ZINC001481750129 1080438250 /nfs/dbraw/zinc/43/82/50/1080438250.db2.gz HAWPFPKCNCJIFI-HOTGVXAUSA-N 0 3 300.402 2.010 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001481750941 1080438456 /nfs/dbraw/zinc/43/84/56/1080438456.db2.gz DSSPDHAVDNRHKO-XJKSGUPXSA-N 0 3 318.465 2.314 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001661391454 1080476736 /nfs/dbraw/zinc/47/67/36/1080476736.db2.gz JROQAMMONDXWKO-DAXOMENPSA-N 0 3 320.433 2.166 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001661413359 1080479163 /nfs/dbraw/zinc/47/91/63/1080479163.db2.gz NZAHVGGYLMUWQA-IYARVYRRSA-N 0 3 321.424 2.236 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001661421638 1080480235 /nfs/dbraw/zinc/48/02/35/1080480235.db2.gz FWQRJPCLDIUXNS-KBUPBQIOSA-N 0 3 318.392 2.162 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001661708401 1080510796 /nfs/dbraw/zinc/51/07/96/1080510796.db2.gz VPHUMEJDGDQUMD-INIZCTEOSA-N 0 3 320.408 2.357 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001661866437 1080535695 /nfs/dbraw/zinc/53/56/95/1080535695.db2.gz NHTYJXYSMQUWQW-DOTOQJQBSA-N 0 3 318.465 2.374 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCOCC1CC1 ZINC001661976306 1080550995 /nfs/dbraw/zinc/55/09/95/1080550995.db2.gz ANVKZRYTOCQEMN-MSOLQXFVSA-N 0 3 318.461 2.282 20 30 DEEDHN 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C#CCN(CCC)CCNC(=O)c1cc(F)c(F)c(F)c1F ZINC001663692579 1080804764 /nfs/dbraw/zinc/80/47/64/1080804764.db2.gz PCLSIBAQGZBDSX-UHFFFAOYSA-N 0 3 316.298 2.318 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CN[C@@H](C)c1cnc(C)cn1 ZINC001482130617 1080829174 /nfs/dbraw/zinc/82/91/74/1080829174.db2.gz FFBMUAJFZLAJQJ-JSGCOSHPSA-N 0 3 304.438 2.400 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)CNCc1oc(C)nc1C ZINC001482130864 1080829283 /nfs/dbraw/zinc/82/92/83/1080829283.db2.gz IQSBWTOWCGYQEQ-CYBMUJFWSA-N 0 3 305.422 2.327 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCNCC(=O)N1CCCC[C@@H]1C ZINC001663957235 1080842408 /nfs/dbraw/zinc/84/24/08/1080842408.db2.gz NDPVJCZDYPSFGA-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001268629585 1080904553 /nfs/dbraw/zinc/90/45/53/1080904553.db2.gz XLGRKBJGOPSLJW-JTGQJZMRSA-N 0 3 300.402 2.084 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001268634688 1080907640 /nfs/dbraw/zinc/90/76/40/1080907640.db2.gz YDOKBXARHTZCGP-AQKVLALTSA-N 0 3 310.441 2.467 20 30 DEEDHN CO[C@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001268641331 1080911268 /nfs/dbraw/zinc/91/12/68/1080911268.db2.gz WOBYNKGZLUHBMT-ZIAGYGMSSA-N 0 3 322.836 2.211 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H](C)CNCc1cncc(C)c1 ZINC001268670789 1080926778 /nfs/dbraw/zinc/92/67/78/1080926778.db2.gz JYTJZTHRJBNDBG-MRXNPFEDSA-N 0 3 321.424 2.208 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CCc1cncnc1)c1ccccc1 ZINC001664583733 1080929352 /nfs/dbraw/zinc/92/93/52/1080929352.db2.gz UHAIFHIKIZQSCD-SFHVURJKSA-N 0 3 324.428 2.432 20 30 DEEDHN C=CCN[C@H](CNC(=O)C1(C)CCOCC1)c1ccccc1 ZINC001664592418 1080930846 /nfs/dbraw/zinc/93/08/46/1080930846.db2.gz KCPDVHJKGCBKSK-MRXNPFEDSA-N 0 3 302.418 2.436 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC)OCC ZINC001664621215 1080933948 /nfs/dbraw/zinc/93/39/48/1080933948.db2.gz GOZATNPOMTUBIK-BBWFWOEESA-N 0 3 324.465 2.069 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001673453942 1080982420 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C=C(Cl)CNCCCN(C)C(=O)CN(C)c1ccccc1 ZINC001268964746 1081061567 /nfs/dbraw/zinc/06/15/67/1081061567.db2.gz WEUDHIQFOYUANQ-UHFFFAOYSA-N 0 3 309.841 2.313 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CN(C)c2ccccc2)C1 ZINC001665742161 1081075493 /nfs/dbraw/zinc/07/54/93/1081075493.db2.gz LIMQFCLPDIPBGU-GOSISDBHSA-N 0 3 313.445 2.069 20 30 DEEDHN C=C(C)CCC(=O)NCCC1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001666368231 1081148619 /nfs/dbraw/zinc/14/86/19/1081148619.db2.gz RHMJZHSHKFAIDG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)C[C@H](C)C2CC2)CC1 ZINC001666389074 1081150084 /nfs/dbraw/zinc/15/00/84/1081150084.db2.gz AGQMZPWRYGNRLY-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)C(F)F ZINC001482208456 1081150517 /nfs/dbraw/zinc/15/05/17/1081150517.db2.gz YVYILNYRLGXWKE-UHFFFAOYSA-N 0 3 306.356 2.322 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001269221241 1081170198 /nfs/dbraw/zinc/17/01/98/1081170198.db2.gz HPLKOTAZGLKNFY-QGZVFWFLSA-N 0 3 320.408 2.391 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001269234065 1081176735 /nfs/dbraw/zinc/17/67/35/1081176735.db2.gz NLOQVTZKWDVCLB-GOSISDBHSA-N 0 3 314.429 2.015 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)OCCC(C)C)CC2 ZINC001666838213 1081184665 /nfs/dbraw/zinc/18/46/65/1081184665.db2.gz ORPPJOZHZYCYDR-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCOC[C@H]2CCCO2)C1 ZINC001269339040 1081220075 /nfs/dbraw/zinc/22/00/75/1081220075.db2.gz JABLDFVRWBVAFF-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001667565779 1081263784 /nfs/dbraw/zinc/26/37/84/1081263784.db2.gz IDMJNAZWNPPQPV-HUUCEWRRSA-N 0 3 300.418 2.108 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCN(C)Cc2ccccc2)nc1 ZINC001667652634 1081271052 /nfs/dbraw/zinc/27/10/52/1081271052.db2.gz MLZDQDUTLKWPGP-UHFFFAOYSA-N 0 3 307.397 2.267 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CC1(NC(=O)c2cnc[n-]c2=O)CCCC1 ZINC001269554017 1081288303 /nfs/dbraw/zinc/28/83/03/1081288303.db2.gz LJPFGMKJUUIOPO-CYBMUJFWSA-N 0 3 318.421 2.169 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@@H]1CC12CC2 ZINC001668223759 1081329285 /nfs/dbraw/zinc/32/92/85/1081329285.db2.gz FLAMFYIPXOHHCU-QWRGUYRKSA-N 0 3 301.228 2.180 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@]2(CCN(CC#CC)C2)C1)OCC ZINC001269732191 1081346846 /nfs/dbraw/zinc/34/68/46/1081346846.db2.gz PSKPFCCFAQTVHU-MJGOQNOKSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001269744404 1081353071 /nfs/dbraw/zinc/35/30/71/1081353071.db2.gz CLKVKAZPLFPJOC-WBVHZDCISA-N 0 3 312.429 2.252 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(CC(CC)CC)C1 ZINC000950534094 1081360456 /nfs/dbraw/zinc/36/04/56/1081360456.db2.gz RPIIMWPOELRXRP-SFHVURJKSA-N 0 3 319.493 2.053 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(N(C)C)cn2)CC1 ZINC001006459141 1081373223 /nfs/dbraw/zinc/37/32/23/1081373223.db2.gz SSEGNYKLLBKHGH-UHFFFAOYSA-N 0 3 316.449 2.260 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)C2=COCCC2)c1 ZINC001668738940 1081388918 /nfs/dbraw/zinc/38/89/18/1081388918.db2.gz JOMHNACLFPHQKI-OWOJBTEDSA-N 0 3 311.385 2.015 20 30 DEEDHN C[C@@H](C#N)C(=O)NC/C=C\CNCc1ccc(Cl)c(F)c1 ZINC001668751159 1081390461 /nfs/dbraw/zinc/39/04/61/1081390461.db2.gz DHMOQCQAOLUASB-QUCGXOGASA-N 0 3 309.772 2.401 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cccc2ccc(C)nc21 ZINC001668877645 1081406157 /nfs/dbraw/zinc/40/61/57/1081406157.db2.gz PAZLAXMEUSGKQF-AATRIKPKSA-N 0 3 307.397 2.442 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C(C)=C3CCC3)C2)CC1 ZINC001270273921 1081490854 /nfs/dbraw/zinc/49/08/54/1081490854.db2.gz NAGCTYUPDAMBNR-KRWDZBQOSA-N 0 3 316.445 2.107 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1COc2ccccc2C1 ZINC001670164756 1081499927 /nfs/dbraw/zinc/49/99/27/1081499927.db2.gz BPTSMTFKYAIDAB-HNNXBMFYSA-N 0 3 322.836 2.428 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1ccc(CC)cn1 ZINC001670254949 1081505566 /nfs/dbraw/zinc/50/55/66/1081505566.db2.gz ZUZLKOKUWUKDKZ-UHFFFAOYSA-N 0 3 309.841 2.377 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC000951366262 1081508139 /nfs/dbraw/zinc/50/81/39/1081508139.db2.gz VMUKJDAPVRTPIE-CZUORRHYSA-N 0 3 316.449 2.184 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)CNCc1cc2n(n1)CCC2 ZINC001270410444 1081521070 /nfs/dbraw/zinc/52/10/70/1081521070.db2.gz UDGKBBPYQYGGMK-CQSZACIVSA-N 0 3 304.438 2.028 20 30 DEEDHN Cc1cnc(CNC[C@]2(C)CCN(C(=O)C#CC(C)C)C2)s1 ZINC001671729849 1081535634 /nfs/dbraw/zinc/53/56/34/1081535634.db2.gz NDDIFBAMBXLVPR-KRWDZBQOSA-N 0 3 319.474 2.439 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)C2(C(F)F)CC2)C1 ZINC001671968731 1081554461 /nfs/dbraw/zinc/55/44/61/1081554461.db2.gz OGLZGJMDTLTRNG-LLVKDONJSA-N 0 3 320.330 2.128 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001270607612 1081561603 /nfs/dbraw/zinc/56/16/03/1081561603.db2.gz OHBQGIPPKFKNAL-SFHVURJKSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCCCC(=O)N1C[C@H]2CN(Cc3conc3CC)C[C@H]2C1 ZINC001672433501 1081598908 /nfs/dbraw/zinc/59/89/08/1081598908.db2.gz FVNLKTYLWUONOE-GASCZTMLSA-N 0 3 317.433 2.484 20 30 DEEDHN C=CCCC(=O)N[C@]1(CO)CCCN(CCc2cccs2)C1 ZINC001672476295 1081603401 /nfs/dbraw/zinc/60/34/01/1081603401.db2.gz FMWYTCWSQGEKOA-QGZVFWFLSA-N 0 3 322.474 2.200 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1n[nH]c(C2CC2)n1 ZINC001482316883 1081603518 /nfs/dbraw/zinc/60/35/18/1081603518.db2.gz MJCCFGDGEAOUBS-GFCCVEGCSA-N 0 3 319.453 2.221 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCc1cccnc1 ZINC001672537802 1081610363 /nfs/dbraw/zinc/61/03/63/1081610363.db2.gz LCYUMSUVPZLONS-ZWKOTPCHSA-N 0 3 311.429 2.103 20 30 DEEDHN Cc1cnc(CNCC[C@@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001672790278 1081627500 /nfs/dbraw/zinc/62/75/00/1081627500.db2.gz JAWZLSHABDHEDC-OAHLLOKOSA-N 0 3 319.474 2.439 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CCNCc2cc(C)ncn2)C1 ZINC001672839064 1081711594 /nfs/dbraw/zinc/71/15/94/1081711594.db2.gz ICDNKBAYJVCKMG-HNNXBMFYSA-N 0 3 316.449 2.325 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1n[nH]cc1C ZINC001672925204 1081723774 /nfs/dbraw/zinc/72/37/74/1081723774.db2.gz UAXHSPYGDJSLBF-UHFFFAOYSA-N 0 3 310.401 2.103 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)c2nnc(C)[n-]2)CC1 ZINC001672953250 1081725266 /nfs/dbraw/zinc/72/52/66/1081725266.db2.gz RMHAELAHYOQZCN-QEJZJMRPSA-N 0 3 319.453 2.405 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)N(CC)CC)C1 ZINC001482331240 1081725957 /nfs/dbraw/zinc/72/59/57/1081725957.db2.gz XMYRBPXCBMSALD-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NCC(=O)N[C@@H](C)CC)CCC1 ZINC001673198550 1081744789 /nfs/dbraw/zinc/74/47/89/1081744789.db2.gz FHZVQIILIHSTMM-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCCn1cccn1)CC2 ZINC001270863854 1081766921 /nfs/dbraw/zinc/76/69/21/1081766921.db2.gz LDUKGGBRWXKZOD-UHFFFAOYSA-N 0 3 316.449 2.164 20 30 DEEDHN Cc1cc(CNC[C@H](CC(C)C)NC(=O)[C@H](C)C#N)sn1 ZINC001482377833 1081775407 /nfs/dbraw/zinc/77/54/07/1081775407.db2.gz ACCJGGCVJPVNPX-YPMHNXCESA-N 0 3 308.451 2.232 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001673709219 1081793297 /nfs/dbraw/zinc/79/32/97/1081793297.db2.gz IPSGOXSSJFWLDB-RJYAGPCLSA-N 0 3 320.477 2.025 20 30 DEEDHN Cc1c[nH]cc1C(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001673928088 1081815175 /nfs/dbraw/zinc/81/51/75/1081815175.db2.gz ATUHBQLOYCTOGI-QFBILLFUSA-N 0 3 321.424 2.425 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC[C@H]2CCOC2)C(C)(C)C1 ZINC001674011826 1081823632 /nfs/dbraw/zinc/82/36/32/1081823632.db2.gz DHUZOMLVGJCUCV-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC1(C)CN(CCOC2CCC2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001674018576 1081826208 /nfs/dbraw/zinc/82/62/08/1081826208.db2.gz NMKJCOQIMROLLD-QGZVFWFLSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(COC)CCC2)C(C)(C)C1 ZINC001674023456 1081828673 /nfs/dbraw/zinc/82/86/73/1081828673.db2.gz NVEPNRGXMQAOBW-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001270941596 1081847947 /nfs/dbraw/zinc/84/79/47/1081847947.db2.gz VWHORWXILPSJOO-WMZOPIPTSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CC[C@H](C)OC)CC2)C1 ZINC001674279072 1081856531 /nfs/dbraw/zinc/85/65/31/1081856531.db2.gz BBYIUAHFKNMAOE-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc3cccn3cn2)C1 ZINC001270965441 1081857504 /nfs/dbraw/zinc/85/75/04/1081857504.db2.gz IBQLSZFEIIGWDW-SFHVURJKSA-N 0 3 312.417 2.352 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCCCC1 ZINC001270977310 1081861993 /nfs/dbraw/zinc/86/19/93/1081861993.db2.gz VCMIFZXJHJYVTR-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001674457836 1081874988 /nfs/dbraw/zinc/87/49/88/1081874988.db2.gz OCUYYACGSOKQTA-OAHLLOKOSA-N 0 3 315.417 2.387 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H]2CCCOC2)cc1 ZINC001280357145 1081879266 /nfs/dbraw/zinc/87/92/66/1081879266.db2.gz SUCDIPAMZOUCLI-RDJZCZTQSA-N 0 3 314.429 2.403 20 30 DEEDHN C[C@@H](NC(=O)c1ccccn1)[C@H](C)NCC#Cc1ccccc1 ZINC001674617500 1081895481 /nfs/dbraw/zinc/89/54/81/1081895481.db2.gz BMIJIZWUASUZEF-JKSUJKDBSA-N 0 3 307.397 2.230 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001674661275 1081901435 /nfs/dbraw/zinc/90/14/35/1081901435.db2.gz OQDSVTSRQXWXIS-HZPDHXFCSA-N 0 3 309.413 2.471 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(C[C@@H](C)OC)CCC1(F)F ZINC001271094310 1081908396 /nfs/dbraw/zinc/90/83/96/1081908396.db2.gz WQIRODFJXFVLBM-CHWSQXEVSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001266304485 1081960237 /nfs/dbraw/zinc/96/02/37/1081960237.db2.gz XTWPYWHVLPXFIM-UHFFFAOYSA-N 0 3 320.220 2.186 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001266307598 1081962377 /nfs/dbraw/zinc/96/23/77/1081962377.db2.gz HHGQYAOUXSYHOU-WMZOPIPTSA-N 0 3 316.445 2.401 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001266313477 1081965497 /nfs/dbraw/zinc/96/54/97/1081965497.db2.gz AYBMQXPMUZABIE-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001266313481 1081965617 /nfs/dbraw/zinc/96/56/17/1081965617.db2.gz AYBMQXPMUZABIE-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H](C)c2cccc(OC)c2)C1 ZINC001266360956 1081997926 /nfs/dbraw/zinc/99/79/26/1081997926.db2.gz GLPJTQHWBFCHDC-DOTOQJQBSA-N 0 3 314.429 2.403 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)[C@H](C)C(C)(C)C ZINC001271268755 1082002039 /nfs/dbraw/zinc/00/20/39/1082002039.db2.gz GKQRXTFRJIFHSI-JKSUJKDBSA-N 0 3 310.482 2.439 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001266390227 1082014801 /nfs/dbraw/zinc/01/48/01/1082014801.db2.gz OWLWTYHPDHZAAN-AEFFLSMTSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001282773046 1082030631 /nfs/dbraw/zinc/03/06/31/1082030631.db2.gz ODADXQNMGUVOPF-CRAIPNDOSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001088119931 1082037913 /nfs/dbraw/zinc/03/79/13/1082037913.db2.gz FPOGNVBHZSLQKP-CABCVRRESA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cn[nH]c1)c1ccccc1CC ZINC001271437115 1082041633 /nfs/dbraw/zinc/04/16/33/1082041633.db2.gz FKIUGSJVQRYVTK-KRWDZBQOSA-N 0 3 310.401 2.056 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1ccon1)c1ccccc1CC ZINC001271445396 1082044921 /nfs/dbraw/zinc/04/49/21/1082044921.db2.gz GHGROIDPPXWAMY-QGZVFWFLSA-N 0 3 313.401 2.413 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1cccc(C)c1 ZINC001266461419 1082051752 /nfs/dbraw/zinc/05/17/52/1082051752.db2.gz OULQDBHJUIIPRJ-FUHWJXTLSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001266485990 1082068184 /nfs/dbraw/zinc/06/81/84/1082068184.db2.gz KUDHTZHJUWBGDH-OAHLLOKOSA-N 0 3 306.381 2.143 20 30 DEEDHN CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001266483945 1082068651 /nfs/dbraw/zinc/06/86/51/1082068651.db2.gz KRVQGZKWUDBBSU-IYBDPMFKSA-N 0 3 300.406 2.365 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C ZINC001266491036 1082072539 /nfs/dbraw/zinc/07/25/39/1082072539.db2.gz AYUGHZYMLRFNAH-YUELXQCFSA-N 0 3 302.422 2.362 20 30 DEEDHN CC(C)[C@H](CNC(=O)C(F)F)NCc1cc(C#N)ccc1F ZINC001496517769 1082074380 /nfs/dbraw/zinc/07/43/80/1082074380.db2.gz OXJWUJPNGGVYJM-ZDUSSCGKSA-N 0 3 313.323 2.193 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001266513879 1082095382 /nfs/dbraw/zinc/09/53/82/1082095382.db2.gz IEUZSEBKRSJVLD-IRXDYDNUSA-N 0 3 318.461 2.045 20 30 DEEDHN N#Cc1ccccc1CC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001271656225 1082102071 /nfs/dbraw/zinc/10/20/71/1082102071.db2.gz NLUZWRFJEHVOKJ-UHFFFAOYSA-N 0 3 309.413 2.188 20 30 DEEDHN C=CCN(CCNC(=O)c1ncccc1OC(C)C)C1CC1 ZINC001493441977 1082128747 /nfs/dbraw/zinc/12/87/47/1082128747.db2.gz AIEAMNNXAQARQA-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN CC(C)[C@@H](CNC(=O)c1cc[nH]c1)NCC#Cc1ccccc1 ZINC001271846626 1082171355 /nfs/dbraw/zinc/17/13/55/1082171355.db2.gz RDDHNDZZXYUCIT-GOSISDBHSA-N 0 3 309.413 2.410 20 30 DEEDHN CCCc1nc(C)c(CN[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001266591504 1082179092 /nfs/dbraw/zinc/17/90/92/1082179092.db2.gz NFYUKDSRSJZBIR-SHTZXODSSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnc2n1CCCC2)C(C)C ZINC001482549509 1082202305 /nfs/dbraw/zinc/20/23/05/1082202305.db2.gz CQNOUCPQKUFMHY-CYBMUJFWSA-N 0 3 324.856 2.316 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001670692507 1082218656 /nfs/dbraw/zinc/21/86/56/1082218656.db2.gz UCNZPUVVRJWIJG-KBPBESRZSA-N 0 3 319.453 2.192 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(OCC#N)cc1 ZINC001482576597 1082261607 /nfs/dbraw/zinc/26/16/07/1082261607.db2.gz AGAOSQCPGIKIQE-PBHICJAKSA-N 0 3 315.417 2.135 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cn1c(C)nc2ccccc21 ZINC001482596212 1082341855 /nfs/dbraw/zinc/34/18/55/1082341855.db2.gz KGNJJMFWFIUIDH-UHFFFAOYSA-N 0 3 314.433 2.311 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001266860071 1082404700 /nfs/dbraw/zinc/40/47/00/1082404700.db2.gz WMCQCOVTIJVCMY-IRXDYDNUSA-N 0 3 324.465 2.119 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCCC2)C1 ZINC001266891674 1082435306 /nfs/dbraw/zinc/43/53/06/1082435306.db2.gz PYJMCWPLYSZKMT-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCCC(=O)NC1CCC(N[C@H](C)c2cnccn2)CC1 ZINC001266908174 1082447624 /nfs/dbraw/zinc/44/76/24/1082447624.db2.gz HJRKPJGCVULULF-QQFBHYJXSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCC(=O)N1CCCCCC1 ZINC001266976034 1082485478 /nfs/dbraw/zinc/48/54/78/1082485478.db2.gz UZIBVGLWPOIPRT-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1cnc(C)cn1 ZINC001482837046 1082526178 /nfs/dbraw/zinc/52/61/78/1082526178.db2.gz SRZBPOYQMNJZEQ-CYBMUJFWSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnn2ccccc12 ZINC001482880277 1082544308 /nfs/dbraw/zinc/54/43/08/1082544308.db2.gz LQWRDWUKJZKHPZ-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CN1CCc2ccccc21 ZINC001482902218 1082553534 /nfs/dbraw/zinc/55/35/34/1082553534.db2.gz ZFCMMKSITIKMGV-AWEZNQCLSA-N 0 3 321.852 2.286 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)[C@@H](C)SC ZINC001482920509 1082558184 /nfs/dbraw/zinc/55/81/84/1082558184.db2.gz GGAURKMYBQSYQU-LLVKDONJSA-N 0 3 311.476 2.309 20 30 DEEDHN C#CCCCC(=O)NC/C=C/CNCc1ccc(F)c(C#N)c1 ZINC001483001327 1082617625 /nfs/dbraw/zinc/61/76/25/1082617625.db2.gz BTEKCDBYTDPQPQ-AATRIKPKSA-N 0 3 313.376 2.263 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C/CNCc1cccc(Cl)c1 ZINC001483008686 1082621295 /nfs/dbraw/zinc/62/12/95/1082621295.db2.gz ZXIBSWUQBZUTCB-ISZGNANSSA-N 0 3 320.820 2.140 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1sccc1-n1cccc1 ZINC001483045637 1082657895 /nfs/dbraw/zinc/65/78/95/1082657895.db2.gz OCVNYGRHMVFFCR-PLNGDYQASA-N 0 3 313.426 2.438 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001483127444 1082740508 /nfs/dbraw/zinc/74/05/08/1082740508.db2.gz CRVGRTMNJNBUNO-CHWSQXEVSA-N 0 3 324.371 2.160 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C3CC3)no2)C1 ZINC001409286753 1082743076 /nfs/dbraw/zinc/74/30/76/1082743076.db2.gz WNDWJVUMYDGTNI-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1CC2(CC2)C1 ZINC001483166689 1082786047 /nfs/dbraw/zinc/78/60/47/1082786047.db2.gz SXJFKBCJOBJRGU-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN COCCCC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001483209676 1082810090 /nfs/dbraw/zinc/81/00/90/1082810090.db2.gz IEHOQNMQRJHCDD-AWEZNQCLSA-N 0 3 322.836 2.212 20 30 DEEDHN COC1(CC(=O)N[C@@H](C)CNCC#Cc2ccccc2)CCC1 ZINC001483222537 1082825975 /nfs/dbraw/zinc/82/59/75/1082825975.db2.gz AEHRZWUUJPLFHI-INIZCTEOSA-N 0 3 314.429 2.092 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CNCc1sccc1Cl ZINC001483226841 1082828727 /nfs/dbraw/zinc/82/87/27/1082828727.db2.gz KYCIBEVLNCIBGO-NSHDSACASA-N 0 3 314.838 2.036 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001409440695 1082889976 /nfs/dbraw/zinc/88/99/76/1082889976.db2.gz HHEVWMQQSPATIA-CYBMUJFWSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1CC(OC)C1 ZINC001409461133 1082902372 /nfs/dbraw/zinc/90/23/72/1082902372.db2.gz YPQMYJRMASHMGK-UHFFFAOYSA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](CNC(=O)Cc1cccnc1)N(C)Cc1ccc(C#N)cc1 ZINC001409544942 1082945416 /nfs/dbraw/zinc/94/54/16/1082945416.db2.gz KHZXTORFYIPSBW-OAHLLOKOSA-N 0 3 322.412 2.132 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(CNCc2ccns2)CCCCC1 ZINC001409762966 1083044168 /nfs/dbraw/zinc/04/41/68/1083044168.db2.gz MZHCOLCJXYKEKQ-GFCCVEGCSA-N 0 3 306.435 2.211 20 30 DEEDHN CC[C@@H](C(=O)N[C@@H](C)CNCC#CCOC)c1ccc(F)cc1 ZINC001483297735 1083079110 /nfs/dbraw/zinc/07/91/10/1083079110.db2.gz DHPFWVKGGMJDAT-WMLDXEAASA-N 0 3 320.408 2.063 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)CSCC#N ZINC001483312516 1083093546 /nfs/dbraw/zinc/09/35/46/1083093546.db2.gz UPPLPYOIGXDVPK-LBPRGKRZSA-N 0 3 309.410 2.019 20 30 DEEDHN N#Cc1ccc(CN2CCN3CC[C@@H]3C2)c(Br)c1 ZINC001137640346 1083364361 /nfs/dbraw/zinc/36/43/61/1083364361.db2.gz YYPHAEPJIRXDMY-CYBMUJFWSA-N 0 3 306.207 2.211 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CC1)c1ccco1 ZINC001276535145 1083483495 /nfs/dbraw/zinc/48/34/95/1083483495.db2.gz GKCHFTDTLZSFAU-QGZVFWFLSA-N 0 3 308.381 2.429 20 30 DEEDHN C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001276762102 1083592379 /nfs/dbraw/zinc/59/23/79/1083592379.db2.gz QNZGJLOTGUYPPB-RHSMWYFYSA-N 0 3 318.417 2.178 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736560 1083652060 /nfs/dbraw/zinc/65/20/60/1083652060.db2.gz YPZQZXAFIUPDRO-WMLDXEAASA-N 0 3 306.406 2.455 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2cccn2C)C1 ZINC001107747371 1083668201 /nfs/dbraw/zinc/66/82/01/1083668201.db2.gz WYWFGYQZXKVLAW-MAUKXSAKSA-N 0 3 319.449 2.201 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001280847900 1083722354 /nfs/dbraw/zinc/72/23/54/1083722354.db2.gz CSTXCSPXNFHKRS-UHFFFAOYSA-N 0 3 313.401 2.204 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)COC(C)(C)C)C1 ZINC001277284998 1083894303 /nfs/dbraw/zinc/89/43/03/1083894303.db2.gz MOSLSJHEESTSTG-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001277323663 1083910880 /nfs/dbraw/zinc/91/08/80/1083910880.db2.gz DYWXINSXUPDDQM-SJORKVTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(CC#CC)CCOC)CC1 ZINC001277404958 1083951981 /nfs/dbraw/zinc/95/19/81/1083951981.db2.gz KBNIXSWBCLNGBL-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cnc(C)n3C)CC2)C1=O ZINC001272771380 1083999814 /nfs/dbraw/zinc/99/98/14/1083999814.db2.gz HTSVVSVFUUAXTI-GOSISDBHSA-N 0 3 316.449 2.119 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(OCC(C)C)cc2)CC1 ZINC001670895507 1084020682 /nfs/dbraw/zinc/02/06/82/1084020682.db2.gz FSJKZEGDVVWVEN-UHFFFAOYSA-N 0 3 300.402 2.207 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001491048531 1084030097 /nfs/dbraw/zinc/03/00/97/1084030097.db2.gz UKPFFJTWKCMEQV-RWMBFGLXSA-N 0 3 305.426 2.021 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CC2)CC2(CCOCC2)C1 ZINC001089919254 1084031973 /nfs/dbraw/zinc/03/19/73/1084031973.db2.gz DKIPAYFSNCXZDO-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(F)F)CC2(CCOCC2)C1 ZINC001089919681 1084033829 /nfs/dbraw/zinc/03/38/29/1084033829.db2.gz LRNYVPKZJHFVDC-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN Cn1cc(CN2CC[C@@]3(C2)CCCN(CC(F)F)C3)cc1C#N ZINC001277645026 1084074409 /nfs/dbraw/zinc/07/44/09/1084074409.db2.gz LPOMUVAREJEPMF-KRWDZBQOSA-N 0 3 322.403 2.450 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@@H]1C ZINC001277730605 1084116866 /nfs/dbraw/zinc/11/68/66/1084116866.db2.gz JQJDSWRXXYPMLZ-LXSPXAAKSA-N 0 3 321.248 2.477 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@H]1[C@@H]1CCN(CC#CC)C1 ZINC001670922204 1084145374 /nfs/dbraw/zinc/14/53/74/1084145374.db2.gz AHWZKXHVNGKFSS-MSOLQXFVSA-N 0 3 318.461 2.305 20 30 DEEDHN Cc1ncsc1CCN1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001491205302 1084152817 /nfs/dbraw/zinc/15/28/17/1084152817.db2.gz QYEWBMUMWCKFGL-OCCSQVGLSA-N 0 3 320.462 2.124 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)CCC=C ZINC001671015880 1084207532 /nfs/dbraw/zinc/20/75/32/1084207532.db2.gz YXYJTTLCXDZVKI-XWTMOSNGSA-N 0 3 318.461 2.445 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)OCc1ccccc1C ZINC001277893298 1084211261 /nfs/dbraw/zinc/21/12/61/1084211261.db2.gz IXIQMSHFXGBMKO-DLBZAZTESA-N 0 3 316.445 2.360 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1c(C)noc1C)CC2 ZINC001272827854 1084320866 /nfs/dbraw/zinc/32/08/66/1084320866.db2.gz YYUQXYIVDIQEBO-UHFFFAOYSA-N 0 3 315.417 2.129 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001272830284 1084332060 /nfs/dbraw/zinc/33/20/60/1084332060.db2.gz PGDBTVOSBWDWTA-NSHDSACASA-N 0 3 311.813 2.331 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@H](NC(=O)CCCC)C2)n1 ZINC001128102538 1084351749 /nfs/dbraw/zinc/35/17/49/1084351749.db2.gz RXWQWYCCLLIPFW-INIZCTEOSA-N 0 3 316.449 2.242 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCCOC)CCC1 ZINC001235226422 1084352452 /nfs/dbraw/zinc/35/24/52/1084352452.db2.gz QCNRIPBLXKGNGU-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccnc(C)n3)CC2)C1=O ZINC001272840610 1084366975 /nfs/dbraw/zinc/36/69/75/1084366975.db2.gz HDTFJLMOSBMGHF-GOSISDBHSA-N 0 3 314.433 2.176 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3c(c1)COC3)CC2 ZINC001272862746 1084390091 /nfs/dbraw/zinc/39/00/91/1084390091.db2.gz YKDYQPXPSHRHHI-SFHVURJKSA-N 0 3 324.424 2.068 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC001272908558 1084459814 /nfs/dbraw/zinc/45/98/14/1084459814.db2.gz YDUFSAQRUVPDKN-HXUWFJFHSA-N 0 3 321.424 2.396 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O ZINC001235587086 1084471348 /nfs/dbraw/zinc/47/13/48/1084471348.db2.gz BTKNDNVNULUOMV-CQSZACIVSA-N 0 3 311.470 2.001 20 30 DEEDHN C=CC1(CC(=O)N(C)C[C@H](C)NCC(=O)NCC)CCCCC1 ZINC001277962240 1084500526 /nfs/dbraw/zinc/50/05/26/1084500526.db2.gz DYLMTFXVWKMGEW-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001078149543 1084566391 /nfs/dbraw/zinc/56/63/91/1084566391.db2.gz KLCUILINMDPCAS-IAGOWNOFSA-N 0 3 316.445 2.092 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001078214597 1084591032 /nfs/dbraw/zinc/59/10/32/1084591032.db2.gz PFQGMLKPHSNWQK-HOCLYGCPSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001078255949 1084619599 /nfs/dbraw/zinc/61/95/99/1084619599.db2.gz SDYOJIFCWCNSEG-HUUCEWRRSA-N 0 3 306.406 2.144 20 30 DEEDHN CCCC(=O)N1CCCO[C@H](CNCc2ccc(C#N)s2)C1 ZINC001078317695 1084642487 /nfs/dbraw/zinc/64/24/87/1084642487.db2.gz YWHUSQBSEGEJBO-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccn2C)C12CCC2 ZINC001078559660 1084745545 /nfs/dbraw/zinc/74/55/45/1084745545.db2.gz ZZVVGAXFBIUINE-KBPBESRZSA-N 0 3 307.825 2.408 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)Cc2cc(C)on2)C12CCC2 ZINC001078573744 1084752380 /nfs/dbraw/zinc/75/23/80/1084752380.db2.gz NJTZUCMSJSSTAE-KGLIPLIRSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C12CCC2 ZINC001078591524 1084762098 /nfs/dbraw/zinc/76/20/98/1084762098.db2.gz SGKDIBJJEKKRKI-OLZOCXBDSA-N 0 3 321.808 2.170 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3ccc(C)s3)C2)OCC1=O ZINC001272933902 1084868749 /nfs/dbraw/zinc/86/87/49/1084868749.db2.gz JCTNQUVQYXTCFY-MRXNPFEDSA-N 0 3 306.431 2.046 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001485910674 1084975751 /nfs/dbraw/zinc/97/57/51/1084975751.db2.gz ADZJUXMIGYQNJS-OAHLLOKOSA-N 0 3 319.449 2.077 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@@H]1CCc2ccccc21 ZINC001485999948 1085023927 /nfs/dbraw/zinc/02/39/27/1085023927.db2.gz IQNLFCSUTXSGHS-NVXWUHKLSA-N 0 3 302.418 2.097 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)c2c(C)oc(C)c2C)C1 ZINC001486119178 1085074896 /nfs/dbraw/zinc/07/48/96/1085074896.db2.gz JDPWNZLGZPGZDN-BLLLJJGKSA-N 0 3 318.417 2.047 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCOc2ccccc2F)C1 ZINC001486135770 1085082675 /nfs/dbraw/zinc/08/26/75/1085082675.db2.gz QQRLSKBLWNLLII-CABCVRRESA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2cc(OC)no2)C1 ZINC001486193773 1085121570 /nfs/dbraw/zinc/12/15/70/1085121570.db2.gz CZNXIZSEIWEFLJ-OLZOCXBDSA-N 0 3 307.394 2.024 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CO[C@H](C)C1)C2 ZINC000964093350 1085162359 /nfs/dbraw/zinc/16/23/59/1085162359.db2.gz UYVJPOKXHYXFDE-WOANRRIASA-N 0 3 312.841 2.181 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000960284671 1085181287 /nfs/dbraw/zinc/18/12/87/1085181287.db2.gz LVAMMKLKHPZRNH-PAJNRAJWSA-N 0 3 300.446 2.291 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cccnc1C ZINC000960305130 1085190143 /nfs/dbraw/zinc/19/01/43/1085190143.db2.gz SOYXGZVGJGMFIN-UYAOXDASSA-N 0 3 321.424 2.490 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001486358298 1085216943 /nfs/dbraw/zinc/21/69/43/1085216943.db2.gz ZWVDRZDISAXZJU-JCYILVPMSA-N 0 3 308.466 2.140 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1[nH]nc2c1CCCC2)C(C)C ZINC001486370367 1085241001 /nfs/dbraw/zinc/24/10/01/1085241001.db2.gz VSPSOLALUHKXMZ-UHFFFAOYSA-N 0 3 318.465 2.186 20 30 DEEDHN C=C(C)CN[C@H]1CN(C(=O)COC(C)C)CC[C@H]1C(F)(F)F ZINC001486451503 1085323620 /nfs/dbraw/zinc/32/36/20/1085323620.db2.gz QAIOUXJGKZDUAV-OLZOCXBDSA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCc3cncs3)CC2)CC1 ZINC001486491296 1085370018 /nfs/dbraw/zinc/37/00/18/1085370018.db2.gz QHTPQVKVQSFIJS-UHFFFAOYSA-N 0 3 317.458 2.070 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H](CC)N(C)C ZINC001486568566 1085432893 /nfs/dbraw/zinc/43/28/93/1085432893.db2.gz LJRCLWPQYKJSQH-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1ccncc1)CC2 ZINC001272950262 1085468096 /nfs/dbraw/zinc/46/80/96/1085468096.db2.gz UUONESGWIBVQIJ-INIZCTEOSA-N 0 3 312.417 2.104 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CCO[C@H]1C)C2 ZINC000965588425 1085623538 /nfs/dbraw/zinc/62/35/38/1085623538.db2.gz IQEDUIFVNFTLBL-MHONKGEASA-N 0 3 312.841 2.181 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128242872 1085631030 /nfs/dbraw/zinc/63/10/30/1085631030.db2.gz XZVCBGWYCBCUSD-UHFFFAOYSA-N 0 3 305.378 2.403 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(O)cc1)CC2 ZINC001272962285 1085676373 /nfs/dbraw/zinc/67/63/73/1085676373.db2.gz NAMUEJOGUNBNAG-MRXNPFEDSA-N 0 3 300.402 2.297 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(-c2cnco2)c1 ZINC000962193728 1086009472 /nfs/dbraw/zinc/00/94/72/1086009472.db2.gz LYIMGJAIJSCMCM-QLPKVWCKSA-N 0 3 309.369 2.188 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2CCc2ccccc2OC)C1=O ZINC001273030077 1086040211 /nfs/dbraw/zinc/04/02/11/1086040211.db2.gz ITBJELJJUMQPFG-LJQANCHMSA-N 0 3 314.429 2.491 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000962330828 1086067452 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DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cnnc(C)c1)C2 ZINC000963720038 1086545771 /nfs/dbraw/zinc/54/57/71/1086545771.db2.gz PEQSVSNWOPYTOT-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN C#CCNC1(CNC(=O)C2(c3cccnc3)CCCC2)CCC1 ZINC001273141613 1086567427 /nfs/dbraw/zinc/56/74/27/1086567427.db2.gz PQVBOSIHRSEBDR-UHFFFAOYSA-N 0 3 311.429 2.155 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001062283485 1086830152 /nfs/dbraw/zinc/83/01/52/1086830152.db2.gz VQZPGRWJACHYGU-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001079009227 1086855840 /nfs/dbraw/zinc/85/58/40/1086855840.db2.gz OBJMNGBISLFIOH-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001062331211 1086857077 /nfs/dbraw/zinc/85/70/77/1086857077.db2.gz HUSRPMYDTJGCTJ-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)CN1CCC[C@@H]1C ZINC001486871170 1087009421 /nfs/dbraw/zinc/00/94/21/1087009421.db2.gz 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C=CCN1CC[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)C(C)(C)C1 ZINC001274437213 1091243179 /nfs/dbraw/zinc/24/31/79/1091243179.db2.gz RYUPATKCAKRMOG-GOEBONIOSA-N 0 3 318.465 2.230 20 30 DEEDHN CC(C)=CCN1CC[C@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274579126 1091310672 /nfs/dbraw/zinc/31/06/72/1091310672.db2.gz FTQUEYPVMAVPFT-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1c2ccccc2C2(CCN(c3cncn3C)CC2)C1=O ZINC001274759120 1091400099 /nfs/dbraw/zinc/40/00/99/1091400099.db2.gz QQXDGVXMQKZZTF-UHFFFAOYSA-N 0 3 322.412 2.491 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)CC1 ZINC001273437132 1091425465 /nfs/dbraw/zinc/42/54/65/1091425465.db2.gz IYQHAJWGHVZAQD-KRWDZBQOSA-N 0 3 318.461 2.187 20 30 DEEDHN Cc1ncsc1CN1CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001411229650 1091445241 /nfs/dbraw/zinc/44/52/41/1091445241.db2.gz MIMRHKZAXYARNI-RYUDHWBXSA-N 0 3 320.462 2.328 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@H](C)[C@@H](C)CC)CCO2 ZINC001274862552 1091452090 /nfs/dbraw/zinc/45/20/90/1091452090.db2.gz 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/nfs/dbraw/zinc/70/35/67/1091703567.db2.gz XKZDRPHIUGDMRC-ULQDDVLXSA-N 0 3 308.466 2.193 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)Cc1cccnc1 ZINC001275384846 1091704692 /nfs/dbraw/zinc/70/46/92/1091704692.db2.gz FBVYJISLVOLRFP-IAGOWNOFSA-N 0 3 321.424 2.159 20 30 DEEDHN N#CCc1ccccc1CN1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001276241963 1091731627 /nfs/dbraw/zinc/73/16/27/1091731627.db2.gz DKFMAOSVQNOWAN-UHFFFAOYSA-N 0 3 321.428 2.184 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)[C@H](C)C(F)(F)F ZINC001276262146 1091753702 /nfs/dbraw/zinc/75/37/02/1091753702.db2.gz UULIUTVTMWTWIF-STQMWFEESA-N 0 3 322.371 2.099 20 30 DEEDHN C=CCCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001275550326 1091848976 /nfs/dbraw/zinc/84/89/76/1091848976.db2.gz HOLSFBCXUIBTNF-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CN(C)c2ccccc2)CC1 ZINC001273475973 1091870304 /nfs/dbraw/zinc/87/03/04/1091870304.db2.gz XHBKXHZXAIQBBT-KRWDZBQOSA-N 0 3 313.445 2.117 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(Cc1ncccn1)C2 ZINC001273487339 1091877587 /nfs/dbraw/zinc/87/75/87/1091877587.db2.gz HIMGOUJUFBNDAV-GOSISDBHSA-N 0 3 314.433 2.400 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000948726621 1091904684 /nfs/dbraw/zinc/90/46/84/1091904684.db2.gz WGWGQKYKTFJHQJ-INIZCTEOSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1ccc(F)c(F)c1 ZINC001273535762 1091910801 /nfs/dbraw/zinc/91/08/01/1091910801.db2.gz WJPBHAFCLQUEIL-IAGOWNOFSA-N 0 3 318.367 2.206 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001273540438 1091912308 /nfs/dbraw/zinc/91/23/08/1091912308.db2.gz NVLPDMUQZCANAZ-UHFFFAOYSA-N 0 3 301.365 2.382 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(F)cc2cccnc21 ZINC001273566494 1091926783 /nfs/dbraw/zinc/92/67/83/1091926783.db2.gz URWMXBGILURPGB-UHFFFAOYSA-N 0 3 313.376 2.401 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cnoc2CC)CC1 ZINC000948820808 1091956361 /nfs/dbraw/zinc/95/63/61/1091956361.db2.gz RQVPCRGDUGRETP-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN C#CCCCC(=O)N(C)CC(C)(C)CNCc1conc1C ZINC001275661484 1091958348 /nfs/dbraw/zinc/95/83/48/1091958348.db2.gz DVJGVFHFPPJLLG-UHFFFAOYSA-N 0 3 305.422 2.361 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CCCN(CC#N)CC1 ZINC000948829399 1091960740 /nfs/dbraw/zinc/96/07/40/1091960740.db2.gz MJRCDGCMRZGFLE-SJORKVTESA-N 0 3 320.481 2.086 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)nc1 ZINC001273631306 1091964099 /nfs/dbraw/zinc/96/40/99/1091964099.db2.gz GOJHWARONAORCI-LJQANCHMSA-N 0 3 324.428 2.320 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1occc1Br ZINC001273668184 1091984824 /nfs/dbraw/zinc/98/48/24/1091984824.db2.gz MXIMAMYXTRLPID-UHFFFAOYSA-N 0 3 313.195 2.117 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C#C)cc1 ZINC001273671941 1091988321 /nfs/dbraw/zinc/98/83/21/1091988321.db2.gz VALNJRTUBHQRJU-HXUWFJFHSA-N 0 3 306.409 2.258 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000948902047 1091990612 /nfs/dbraw/zinc/99/06/12/1091990612.db2.gz KMCAPXQYIUJAAL-SJLPKXTDSA-N 0 3 314.429 2.315 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001273778749 1092044993 /nfs/dbraw/zinc/04/49/93/1092044993.db2.gz PNYBYGGQTUJIBU-OAHLLOKOSA-N 0 3 304.409 2.466 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)c1cc(C#N)ccc1Cl)CC2 ZINC001275724247 1092045030 /nfs/dbraw/zinc/04/50/30/1092045030.db2.gz AUOLCTWZJGOEDV-UHFFFAOYSA-N 0 3 303.793 2.379 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC1(C)C)CCO2 ZINC000949161889 1092059589 /nfs/dbraw/zinc/05/95/89/1092059589.db2.gz GDBPXCJWSLBDOZ-OAHLLOKOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cocc1C)CCO2 ZINC000949161762 1092060489 /nfs/dbraw/zinc/06/04/89/1092060489.db2.gz DXTWBNXCMNLKIT-UHFFFAOYSA-N 0 3 304.390 2.081 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccc(Cl)[nH]1)CCO2 ZINC000949182605 1092064170 /nfs/dbraw/zinc/06/41/70/1092064170.db2.gz VEUWQAYAGGKFSW-UHFFFAOYSA-N 0 3 323.824 2.161 20 30 DEEDHN C=CCN1Cc2ccccc2C[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC001273814241 1092152366 /nfs/dbraw/zinc/15/23/66/1092152366.db2.gz MGTLMXUUNRQIPP-GOSISDBHSA-N 0 3 324.428 2.071 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000949493607 1092164767 /nfs/dbraw/zinc/16/47/67/1092164767.db2.gz YCSFDVJYBDZEMK-DLBZAZTESA-N 0 3 318.461 2.302 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C[C@@H](O)c1ccccc1 ZINC001275897906 1092282976 /nfs/dbraw/zinc/28/29/76/1092282976.db2.gz XHRDQWBHQLHDCB-GDBMZVCRSA-N 0 3 304.434 2.369 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001494912651 1092298721 /nfs/dbraw/zinc/29/87/21/1092298721.db2.gz HQHOLERWLANBKK-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC(C)C)OC)C2 ZINC001273840905 1092300534 /nfs/dbraw/zinc/30/05/34/1092300534.db2.gz PAVYPGKXPOTOER-IEBWSBKVSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@@H]1C ZINC001488136633 1092337693 /nfs/dbraw/zinc/33/76/93/1092337693.db2.gz RGYBBKWEVUMOFO-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccccc1CN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001275968764 1092397673 /nfs/dbraw/zinc/39/76/73/1092397673.db2.gz LQEVEYKZUGRRRP-KDURUIRLSA-N 0 3 311.429 2.386 20 30 DEEDHN N#CCSCC(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001273860254 1092434794 /nfs/dbraw/zinc/43/47/94/1092434794.db2.gz DIZIAAZCSSIUMR-UPHRSURJSA-N 0 3 323.849 2.359 20 30 DEEDHN CC(F)(F)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001488701143 1092721261 /nfs/dbraw/zinc/72/12/61/1092721261.db2.gz KYSWCBVLQYUZCF-OTVXOJSOSA-N 0 3 324.346 2.317 20 30 DEEDHN O=C(CCCF)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001488761644 1092737059 /nfs/dbraw/zinc/73/70/59/1092737059.db2.gz SGSSAABNUXEBGU-WOVMCDHWSA-N 0 3 320.383 2.411 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccncc2C)C1 ZINC001488829406 1092790810 /nfs/dbraw/zinc/79/08/10/1092790810.db2.gz UNOCHEHOMZMKDA-CTYIDZIISA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001488901611 1092805835 /nfs/dbraw/zinc/80/58/35/1092805835.db2.gz ABFWCYAUGKMNGD-MELADBBJSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CCCOC2)C1 ZINC001488878068 1092820193 /nfs/dbraw/zinc/82/01/93/1092820193.db2.gz BTNRPOCIHYRZHZ-MGPQQGTHSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)[C@H]1CC ZINC001489144826 1092952747 /nfs/dbraw/zinc/95/27/47/1092952747.db2.gz JDJLGSITXOVZME-OAUYIBNBSA-N 0 3 318.465 2.360 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001489166851 1092962029 /nfs/dbraw/zinc/96/20/29/1092962029.db2.gz FXOGLHCHKLEFLM-CVEARBPZSA-N 0 3 308.466 2.284 20 30 DEEDHN C=CCOCC(=O)N1CCCCC[C@H](NCc2cnoc2C)C1 ZINC001489225772 1092995286 /nfs/dbraw/zinc/99/52/86/1092995286.db2.gz RQOYDKJQEZGIIH-INIZCTEOSA-N 0 3 321.421 2.046 20 30 DEEDHN C#CCN(C(=O)c1nccc(Cl)c1F)C1CCN(C)CC1 ZINC001351819447 1151617740 /nfs/dbraw/zinc/61/77/40/1151617740.db2.gz DRTZOPVWHXMDFL-UHFFFAOYSA-N 0 3 309.772 2.044 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)[C@@H](CC)N(C)C)[C@H]1CC ZINC001490003872 1093184506 /nfs/dbraw/zinc/18/45/06/1093184506.db2.gz YWZPGFRBYIEAGC-ARFHVFGLSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cnn(C)c1 ZINC001490299096 1093281629 /nfs/dbraw/zinc/28/16/29/1093281629.db2.gz PVNWWSXPNGDBQG-RDJZCZTQSA-N 0 3 316.449 2.083 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001490436777 1093382174 /nfs/dbraw/zinc/38/21/74/1093382174.db2.gz KXDHFIOREMXLAS-NVXWUHKLSA-N 0 3 304.434 2.106 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C2(CC)CCC2)CC1 ZINC001490473347 1093386390 /nfs/dbraw/zinc/38/63/90/1093386390.db2.gz KJWOCKPOIMKFHG-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001274027380 1093772941 /nfs/dbraw/zinc/77/29/41/1093772941.db2.gz GJUYSFMWZIQEPR-CQSZACIVSA-N 0 3 312.413 2.067 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@@H+](Cc3cc([O-])cc(F)c3)C2)C1=O ZINC001274213973 1093855027 /nfs/dbraw/zinc/85/50/27/1093855027.db2.gz QBKYHUDMNNVGSE-KRWDZBQOSA-N 0 3 304.365 2.142 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@H+](Cc3cc([O-])cc(F)c3)C2)C1=O ZINC001274213973 1093855033 /nfs/dbraw/zinc/85/50/33/1093855033.db2.gz QBKYHUDMNNVGSE-KRWDZBQOSA-N 0 3 304.365 2.142 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc3c[nH]nc3c2)C1=O ZINC001274224959 1093860234 /nfs/dbraw/zinc/86/02/34/1093860234.db2.gz IJSXCCJBORKAFA-GOSISDBHSA-N 0 3 310.401 2.316 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)N(C)CCc2ccnn2C)CCC1 ZINC001329540246 1148917076 /nfs/dbraw/zinc/91/70/76/1148917076.db2.gz LYIDJPSMWIIJTI-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN Cc1nccnc1CN(CCCNC(=O)C#CC(C)C)C(C)C ZINC001691715663 1138209609 /nfs/dbraw/zinc/20/96/09/1138209609.db2.gz MGDBDEQSQJAORQ-UHFFFAOYSA-N 0 3 316.449 2.161 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)C2(c3cc(C)no3)CC2)CC1 ZINC001278071412 1138547922 /nfs/dbraw/zinc/54/79/22/1138547922.db2.gz JULAMTKIDJISHC-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN C#CCN(C(=O)CC(C)(C)C)C1CCN(CCOCC)CC1 ZINC001278121812 1138716248 /nfs/dbraw/zinc/71/62/48/1138716248.db2.gz NSPWJVUGPUFFPZ-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN(C(=O)c1n[nH]cc1C)C1CCN(CC=C(C)C)CC1 ZINC001278150983 1138800820 /nfs/dbraw/zinc/80/08/20/1138800820.db2.gz HUWPKNLKIAHLQF-UHFFFAOYSA-N 0 3 314.433 2.224 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)c1cc2cc(C)ccc2s1 ZINC001278179860 1138818199 /nfs/dbraw/zinc/81/81/99/1138818199.db2.gz VRYVUSHHBFLZJF-ZDUSSCGKSA-N 0 3 304.415 2.076 20 30 DEEDHN C=CCN1CCC(NC(=O)C(F)(F)C2(O)CCCCC2)CC1 ZINC001293034269 1138882861 /nfs/dbraw/zinc/88/28/61/1138882861.db2.gz WPGSVKMCFMOXEH-UHFFFAOYSA-N 0 3 316.392 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001293899652 1139055551 /nfs/dbraw/zinc/05/55/51/1139055551.db2.gz CUFVFMITDPMULN-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)CN(C)C(C)C ZINC001294358895 1139137203 /nfs/dbraw/zinc/13/72/03/1139137203.db2.gz HSGRUAOVHLVZEX-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN COc1cc(C#N)nc(-c2cccc(CN3CCN(C)CC3)c2)c1 ZINC001240283196 1139317936 /nfs/dbraw/zinc/31/79/36/1139317936.db2.gz GTKOSYPUJBXZJS-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN N#Cc1cc(-c2ccc(Cc3nnn[n-]3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240360650 1139349196 /nfs/dbraw/zinc/34/91/96/1139349196.db2.gz KHTUOPHEXIYOFO-UHFFFAOYSA-N 0 3 316.368 2.016 20 30 DEEDHN N#Cc1cc(-c2ccc(Cc3nn[n-]n3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240360650 1139349204 /nfs/dbraw/zinc/34/92/04/1139349204.db2.gz KHTUOPHEXIYOFO-UHFFFAOYSA-N 0 3 316.368 2.016 20 30 DEEDHN COc1ccnc(-c2ccc(CN3CCN(C)CC3)cc2)c1C#N ZINC001240390245 1139355550 /nfs/dbraw/zinc/35/55/50/1139355550.db2.gz WQIKVQWMTYDITK-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN CN1CCN(Cc2ccc(-c3ncc(C#N)cc3C#N)cc2)CC1 ZINC001240390083 1139355884 /nfs/dbraw/zinc/35/58/84/1139355884.db2.gz UZDMXVMMTDOYFL-UHFFFAOYSA-N 0 3 317.396 2.239 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4nccnc4C#N)cc3)CC2)CC1 ZINC001240573362 1139434123 /nfs/dbraw/zinc/43/41/23/1139434123.db2.gz IKQNVTDFACZGSS-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2CC)C1 ZINC001352965490 1151800462 /nfs/dbraw/zinc/80/04/62/1151800462.db2.gz BCJWOIKACZIUGB-CVEARBPZSA-N 0 3 315.465 2.347 20 30 DEEDHN C=C1CCC(C(=O)NCCN(C)C(=O)C(C)(C)N(C)CC)CC1 ZINC001296223063 1139725996 /nfs/dbraw/zinc/72/59/96/1139725996.db2.gz JHICJIWMGWZBLO-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001296715247 1139818540 /nfs/dbraw/zinc/81/85/40/1139818540.db2.gz GQASPIFOXVSIAG-PBHICJAKSA-N 0 3 318.417 2.303 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC001297373349 1139864317 /nfs/dbraw/zinc/86/43/17/1139864317.db2.gz TUWFSPXTISRBFR-UHFFFAOYSA-N 0 3 323.397 2.021 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001297373349 1139864318 /nfs/dbraw/zinc/86/43/18/1139864318.db2.gz TUWFSPXTISRBFR-UHFFFAOYSA-N 0 3 323.397 2.021 20 30 DEEDHN N#Cc1cc(-c2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)ccc1[O-] ZINC001242563734 1140000542 /nfs/dbraw/zinc/00/05/42/1140000542.db2.gz KONQYNMMMSHKOV-INIZCTEOSA-N 0 3 319.364 2.081 20 30 DEEDHN COc1ccc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)o1 ZINC001491616961 1140204465 /nfs/dbraw/zinc/20/44/65/1140204465.db2.gz BJKXZFLMOAXQKI-JTQLQIEISA-N 0 3 319.386 2.129 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2cccc(C(F)F)c2)C1 ZINC001491739688 1140292761 /nfs/dbraw/zinc/29/27/61/1140292761.db2.gz AZCWRYJEFCKFQY-HNNXBMFYSA-N 0 3 306.356 2.381 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001491794407 1140312752 /nfs/dbraw/zinc/31/27/52/1140312752.db2.gz BTLHIEOFKDAQQL-MRXNPFEDSA-N 0 3 316.449 2.035 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001318480259 1140344209 /nfs/dbraw/zinc/34/42/09/1140344209.db2.gz VDKKKAFCGPNQHT-KRWDZBQOSA-N 0 3 324.428 2.052 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ncccc2OC)C1 ZINC001318482259 1140346986 /nfs/dbraw/zinc/34/69/86/1140346986.db2.gz GEAWJFYDZJTILC-OAHLLOKOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCNC(=O)CC(C)C)C1 ZINC001318492159 1140349226 /nfs/dbraw/zinc/34/92/26/1140349226.db2.gz NZMLTZJCZZOHLR-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1c(C)nsc1C ZINC001318517289 1140357162 /nfs/dbraw/zinc/35/71/62/1140357162.db2.gz DWZUTFXKCCVKDT-AWEZNQCLSA-N 0 3 307.463 2.404 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)NCc1cc(C)ns1 ZINC001318576887 1140368238 /nfs/dbraw/zinc/36/82/38/1140368238.db2.gz OZOHAEWSGJIJJB-YUELXQCFSA-N 0 3 323.462 2.027 20 30 DEEDHN C#CCCCC(=O)NC1(CNCc2nccnc2C)CCCC1 ZINC001318626597 1140374645 /nfs/dbraw/zinc/37/46/45/1140374645.db2.gz CUENHPZZYLNSRX-UHFFFAOYSA-N 0 3 314.433 2.107 20 30 DEEDHN Cc1csc(CN[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)n1 ZINC001318953345 1140476813 /nfs/dbraw/zinc/47/68/13/1140476813.db2.gz POYVOBZFUYTXSK-SHTZXODSSA-N 0 3 317.458 2.382 20 30 DEEDHN CCC[C@@H](C)C(=O)N1CCC2(CCN(CC#CCOC)C2)CC1 ZINC001319139632 1140511603 /nfs/dbraw/zinc/51/16/03/1140511603.db2.gz ILQYLYIPUCEWLB-QGZVFWFLSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](NCc2cnc(C)nc2)C[C@@H]1C ZINC001278398831 1140536554 /nfs/dbraw/zinc/53/65/54/1140536554.db2.gz PUWDWEBBOSHQOY-WMLDXEAASA-N 0 3 314.433 2.058 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2cccnc2)cc1 ZINC001319510106 1140605401 /nfs/dbraw/zinc/60/54/01/1140605401.db2.gz JKZQIJJCDBEZFS-HNNXBMFYSA-N 0 3 307.397 2.313 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1cccc(C(F)F)c1 ZINC001319561861 1140616250 /nfs/dbraw/zinc/61/62/50/1140616250.db2.gz DXCHBADKMPXQNV-ZDUSSCGKSA-N 0 3 324.371 2.324 20 30 DEEDHN CCC1(C(=O)N[C@@H](CNCC#CCOC)CC(C)C)CCC1 ZINC001319623396 1140627996 /nfs/dbraw/zinc/62/79/96/1140627996.db2.gz YWKGFJWNVZXKEE-MRXNPFEDSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CCNCc1cnoc1C ZINC001319735929 1140697325 /nfs/dbraw/zinc/69/73/25/1140697325.db2.gz KXLJBRNLJAHTOB-INIZCTEOSA-N 0 3 321.421 2.046 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)COC2CCCCC2)C1 ZINC001278411821 1140783532 /nfs/dbraw/zinc/78/35/32/1140783532.db2.gz YQFXGAHPYMWYFU-GOSISDBHSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001320089525 1140819904 /nfs/dbraw/zinc/81/99/04/1140819904.db2.gz DOWYLRSCMFIWAW-CYBMUJFWSA-N 0 3 306.454 2.107 20 30 DEEDHN CCCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2CC#CCOC)C1 ZINC001320113448 1140823396 /nfs/dbraw/zinc/82/33/96/1140823396.db2.gz XZYRRULIJXRCDM-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001320115632 1140823748 /nfs/dbraw/zinc/82/37/48/1140823748.db2.gz BZLVXIXKSZDCTH-GDBMZVCRSA-N 0 3 318.417 2.083 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCOc2ccccc2C)C1 ZINC001278422169 1140838596 /nfs/dbraw/zinc/83/85/96/1140838596.db2.gz AVYKTNZYRVPJSQ-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001320438711 1140866028 /nfs/dbraw/zinc/86/60/28/1140866028.db2.gz BCKUIRWTJBAADE-QGZVFWFLSA-N 0 3 319.449 2.269 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001278434579 1140870267 /nfs/dbraw/zinc/87/02/67/1140870267.db2.gz RRKJFMCZVLNFOB-MAUKXSAKSA-N 0 3 320.433 2.475 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)OCCCC)CCC[C@@H]12 ZINC001278440488 1140880625 /nfs/dbraw/zinc/88/06/25/1140880625.db2.gz OZGOPIWVIIOYEV-JFIYKMOQSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C[C@H](COC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC001320592331 1140883711 /nfs/dbraw/zinc/88/37/11/1140883711.db2.gz PKATYUOZERPWOV-LLVKDONJSA-N 0 3 316.195 2.454 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1csc(CC(C)C)n1 ZINC001320932287 1140997511 /nfs/dbraw/zinc/99/75/11/1140997511.db2.gz MAMQXIHDVABSEH-UHFFFAOYSA-N 0 3 307.463 2.417 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CN[C@H]1CCc2c1cc(F)cc2F ZINC001321468337 1141272929 /nfs/dbraw/zinc/27/29/29/1141272929.db2.gz KTOZZISAXGMVMP-BZNIZROVSA-N 0 3 324.371 2.249 20 30 DEEDHN CC(C)OCCCC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001321760411 1141340069 /nfs/dbraw/zinc/34/00/69/1141340069.db2.gz PGHOWPGHDNDMFB-QGZVFWFLSA-N 0 3 316.445 2.338 20 30 DEEDHN C=CCCNC(=S)Nc1ccc(OC2CCN(C)CC2)cn1 ZINC001247601065 1141386228 /nfs/dbraw/zinc/38/62/28/1141386228.db2.gz DRZPMJFRQCAFNV-UHFFFAOYSA-N 0 3 320.462 2.417 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001322155357 1141417223 /nfs/dbraw/zinc/41/72/23/1141417223.db2.gz BWZPIBOEZGSAJQ-YPMHNXCESA-N 0 3 309.435 2.231 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ccc(F)cc1C ZINC001322279992 1141502923 /nfs/dbraw/zinc/50/29/23/1141502923.db2.gz CLCZYOMTNKDECA-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN CSC[C@@H](C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001322442066 1141587825 /nfs/dbraw/zinc/58/78/25/1141587825.db2.gz HZFIDRGUOGNRCX-CQSZACIVSA-N 0 3 319.474 2.495 20 30 DEEDHN C#CCCCC(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001322482714 1141605417 /nfs/dbraw/zinc/60/54/17/1141605417.db2.gz IQVJNLAGHAMZOW-UHFFFAOYSA-N 0 3 307.825 2.477 20 30 DEEDHN O=C(C#CC1CC1)N[C@H](CNCc1cnc(Cl)s1)C1CC1 ZINC001322990337 1141792047 /nfs/dbraw/zinc/79/20/47/1141792047.db2.gz GJOSSURXVCJXDH-CYBMUJFWSA-N 0 3 323.849 2.194 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001322991895 1141794147 /nfs/dbraw/zinc/79/41/47/1141794147.db2.gz POAIHIYYVPAKCW-FZMZJTMJSA-N 0 3 321.248 2.117 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nccn2C)[C@H](CC)C1 ZINC001323141842 1141817291 /nfs/dbraw/zinc/81/72/91/1141817291.db2.gz FQRQHSQDLMQDJX-HZPDHXFCSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001323242687 1141832130 /nfs/dbraw/zinc/83/21/30/1141832130.db2.gz NMHOANWMKPYFIV-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CCOc1ccc(F)cc1 ZINC001323292438 1141838296 /nfs/dbraw/zinc/83/82/96/1141838296.db2.gz FBBHKQBACWBAJE-HNNXBMFYSA-N 0 3 306.381 2.361 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC001323489195 1141858294 /nfs/dbraw/zinc/85/82/94/1141858294.db2.gz HVGMPSGRSRMCBL-UKRRQHHQSA-N 0 3 300.402 2.207 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cc(F)ccc3OC)no2)CCCN1 ZINC001249351892 1141877295 /nfs/dbraw/zinc/87/72/95/1141877295.db2.gz OJUZINCFJNZESX-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC[C@H]1CCOC1 ZINC001323762763 1141884746 /nfs/dbraw/zinc/88/47/46/1141884746.db2.gz KDUHOODFGVWXOI-YESZJQIVSA-N 0 3 306.450 2.445 20 30 DEEDHN N#Cc1cc(N)c(NC2=CC[C@H](N3CCOCC3)CC2)cc1C#N ZINC001249560706 1141912687 /nfs/dbraw/zinc/91/26/87/1141912687.db2.gz YMHVLWDCPNFPKE-INIZCTEOSA-N 0 3 323.400 2.193 20 30 DEEDHN Cc1nsc(C)c1CNC[C@](C)(NC(=O)[C@H](C)C#N)C1CC1 ZINC001421553702 1171845390 /nfs/dbraw/zinc/84/53/90/1171845390.db2.gz YZUODFZOKFWBOL-HWPZZCPQSA-N 0 3 320.462 2.294 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001324166606 1142020829 /nfs/dbraw/zinc/02/08/29/1142020829.db2.gz HXNUGFJBJVPXTC-TZMCWYRMSA-N 0 3 305.426 2.111 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC(C)=C(C)C ZINC001324214073 1142032594 /nfs/dbraw/zinc/03/25/94/1142032594.db2.gz VBXWMETUEGHXOS-HOTGVXAUSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCCC(=O)NC1(C)CCN(CCCc2nc(C)no2)CC1 ZINC001324300570 1142051437 /nfs/dbraw/zinc/05/14/37/1142051437.db2.gz CEKBDHNEBUAJGX-UHFFFAOYSA-N 0 3 320.437 2.248 20 30 DEEDHN C=CCOCC(=O)N[C@]1(C)CCN(CCc2ccccc2F)C1 ZINC001324590455 1142131447 /nfs/dbraw/zinc/13/14/47/1142131447.db2.gz WOZICNVPQPZGOT-GOSISDBHSA-N 0 3 320.408 2.151 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC001252124680 1142648776 /nfs/dbraw/zinc/64/87/76/1142648776.db2.gz SULVPAQJLDAFLQ-DLBZAZTESA-N 0 3 300.487 2.360 20 30 DEEDHN C=CCOC[C@H](O)CN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC001252466561 1142723471 /nfs/dbraw/zinc/72/34/71/1142723471.db2.gz QCHQGEMTNFEHSS-HZPDHXFCSA-N 0 3 321.417 2.102 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001337357890 1142736806 /nfs/dbraw/zinc/73/68/06/1142736806.db2.gz LWVCTFCBFUOYGY-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001337439051 1142753579 /nfs/dbraw/zinc/75/35/79/1142753579.db2.gz WVNAKMHCXNNYEB-GOEBONIOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC[C@H](O)CNc1cccc(CN2CCN(C)CC2)c1 ZINC001252607834 1142788458 /nfs/dbraw/zinc/78/84/58/1142788458.db2.gz SDALWTGRLNKPSE-SFHVURJKSA-N 0 3 303.450 2.173 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)Cc2ccc(C)nc2)C1 ZINC001278686463 1142828738 /nfs/dbraw/zinc/82/87/38/1142828738.db2.gz KLQWVQCOPGDCPJ-LJQANCHMSA-N 0 3 313.445 2.174 20 30 DEEDHN O=C1C=C2CN(C[C@@H](O)c3ccc(F)c(F)c3)CCC2S1 ZINC001253349516 1142863924 /nfs/dbraw/zinc/86/39/24/1142863924.db2.gz DXISKXDMBZJPSI-ZIAGYGMSSA-N 0 3 311.353 2.272 20 30 DEEDHN C=C[C@@H](O)CNCc1ccc2nnc(-c3cccc(F)c3)n2c1 ZINC001253610088 1142884319 /nfs/dbraw/zinc/88/43/19/1142884319.db2.gz QAKCHPCGWYPQGT-OAHLLOKOSA-N 0 3 312.348 2.172 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@](C)(O)CC ZINC001339026748 1142904086 /nfs/dbraw/zinc/90/40/86/1142904086.db2.gz ZJDRZMZRNOLHRQ-JJRVBVJISA-N 0 3 321.469 2.001 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCc3ncnc(N4CCCC4)c3CC2)C1 ZINC001254662880 1143305725 /nfs/dbraw/zinc/30/57/25/1143305725.db2.gz MAVLFDLPCLSHFK-HUUCEWRRSA-N 0 3 311.433 2.170 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCc3ncnc(N4CCCC4)c3CC2)C1 ZINC001254662878 1143305858 /nfs/dbraw/zinc/30/58/58/1143305858.db2.gz MAVLFDLPCLSHFK-CABCVRRESA-N 0 3 311.433 2.170 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCSC[C@H]1C ZINC001340445585 1143348604 /nfs/dbraw/zinc/34/86/04/1143348604.db2.gz SJEOBXDOHKBEAN-ZIAGYGMSSA-N 0 3 321.494 2.215 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](C)Cc1ccccc1Cl ZINC001254997736 1143381065 /nfs/dbraw/zinc/38/10/65/1143381065.db2.gz UMRQMJARBFOSKQ-GFCCVEGCSA-N 0 3 301.839 2.461 20 30 DEEDHN CC[C@H](CC#N)n1nc(C(=O)N2CCC[C@@H]2C)c2c1CCNC2 ZINC001255169525 1143462417 /nfs/dbraw/zinc/46/24/17/1143462417.db2.gz GGVVBPNFPFGCSE-QWHCGFSZSA-N 0 3 315.421 2.018 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001341337036 1143585966 /nfs/dbraw/zinc/58/59/66/1143585966.db2.gz MNEJBVSLXQLZSI-HNNXBMFYSA-N 0 3 321.465 2.461 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC001341970420 1143756937 /nfs/dbraw/zinc/75/69/37/1143756937.db2.gz QYAJYFZDMHXEET-SJORKVTESA-N 0 3 315.417 2.218 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001255601141 1143777652 /nfs/dbraw/zinc/77/76/52/1143777652.db2.gz UHGRWCQSMOETJJ-CHWSQXEVSA-N 0 3 324.446 2.270 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC001342316724 1143810992 /nfs/dbraw/zinc/81/09/92/1143810992.db2.gz UDSHASFDZRHHNC-GJZGRUSLSA-N 0 3 311.470 2.144 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cncc(C#N)c2)C1 ZINC001255903072 1143813816 /nfs/dbraw/zinc/81/38/16/1143813816.db2.gz MLJNTBKBDUUXFL-OAHLLOKOSA-N 0 3 316.405 2.442 20 30 DEEDHN C[C@@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC001342565705 1143824204 /nfs/dbraw/zinc/82/42/04/1143824204.db2.gz IEFBCTGNFBCZHL-OCCSQVGLSA-N 0 3 315.373 2.467 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)CCCF)C(C)C)cn1 ZINC001278926608 1143840952 /nfs/dbraw/zinc/84/09/52/1143840952.db2.gz RTOZKOFSIUESFD-UHFFFAOYSA-N 0 3 305.397 2.205 20 30 DEEDHN COc1ccc(S(C)(=O)=O)c(CNC2CCC(C#N)CC2)c1 ZINC001256963750 1143876890 /nfs/dbraw/zinc/87/68/90/1143876890.db2.gz NWCGYSAMPZFPOW-UHFFFAOYSA-N 0 3 322.430 2.271 20 30 DEEDHN N#CC1CCC(N2CCc3nnc(Cn4cccc4)n3CC2)CC1 ZINC001256966492 1143876896 /nfs/dbraw/zinc/87/68/96/1143876896.db2.gz JLWREWHCSXTJDC-UHFFFAOYSA-N 0 3 324.432 2.068 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]([C@@H](C)NCc2nc(C)oc2C)C1 ZINC001278991445 1143888493 /nfs/dbraw/zinc/88/84/93/1143888493.db2.gz ISLDKSXOOMYPGW-CZUORRHYSA-N 0 3 317.433 2.422 20 30 DEEDHN CC1(C)COC2(CCC(N3CCN(CCC#N)CC3)CC2)OC1 ZINC001258525794 1144017033 /nfs/dbraw/zinc/01/70/33/1144017033.db2.gz HSNYLKIKTYPMFS-UHFFFAOYSA-N 0 3 321.465 2.230 20 30 DEEDHN C=CCS(=O)(=O)Nc1c(CCN2CCCC2)cccc1OC ZINC001259930415 1144159786 /nfs/dbraw/zinc/15/97/86/1144159786.db2.gz NSQLHRWMRUQYOL-UHFFFAOYSA-N 0 3 324.446 2.261 20 30 DEEDHN C#C[C@@H](NCC1(O)CCC(C(=O)OCC)CC1)c1ccccc1 ZINC001262569024 1144319981 /nfs/dbraw/zinc/31/99/81/1144319981.db2.gz NQZAOIDMSXGYEY-TVRKMHQQSA-N 0 3 315.413 2.435 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(-c2ccccn2)s1 ZINC001263096511 1144355635 /nfs/dbraw/zinc/35/56/35/1144355635.db2.gz UGSBHSSAEDMHHQ-JTQLQIEISA-N 0 3 303.391 2.222 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc2ncccc2c1 ZINC001263191423 1144360275 /nfs/dbraw/zinc/36/02/75/1144360275.db2.gz LOGFHCUBLWBRSD-MRXNPFEDSA-N 0 3 310.401 2.305 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12)c1ccccc1 ZINC001263483176 1144377377 /nfs/dbraw/zinc/37/73/77/1144377377.db2.gz FQTLJJBXPUGSRP-SSRUIJIPSA-N 0 3 324.380 2.188 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(F)(F)F)C[C@@H]2C1 ZINC001264099628 1144465688 /nfs/dbraw/zinc/46/56/88/1144465688.db2.gz JWDURZHCFWIZTO-MJBXVCDLSA-N 0 3 316.367 2.379 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)c1cnn(C)c1 ZINC001264188294 1144501753 /nfs/dbraw/zinc/50/17/53/1144501753.db2.gz CIVVFRDQUYUASF-ZBFHGGJFSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001264377122 1144520490 /nfs/dbraw/zinc/52/04/90/1144520490.db2.gz VPNOPRCGGXNNDK-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)c1ccco1 ZINC001264767102 1144607756 /nfs/dbraw/zinc/60/77/56/1144607756.db2.gz HBMGJCKSMHRVTA-UHFFFAOYSA-N 0 3 308.381 2.429 20 30 DEEDHN C#CCN(CCCNC(=O)CCc1nc2ccccc2[nH]1)C1CC1 ZINC001265167069 1144658702 /nfs/dbraw/zinc/65/87/02/1144658702.db2.gz BXJUNIKRTQPEKV-UHFFFAOYSA-N 0 3 324.428 2.099 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc2n[nH]cc21)C1CC1 ZINC001265169628 1144659254 /nfs/dbraw/zinc/65/92/54/1144659254.db2.gz BWHMXKATGXMDLF-UHFFFAOYSA-N 0 3 310.401 2.171 20 30 DEEDHN CC#CCN(CCCNC(=O)CC[C@@H]1CCCCO1)C1CC1 ZINC001265177251 1144660873 /nfs/dbraw/zinc/66/08/73/1144660873.db2.gz MXRNYMFYYSQNEQ-KRWDZBQOSA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1csc(C2CC2)n1)C1CC1 ZINC001265177111 1144661244 /nfs/dbraw/zinc/66/12/44/1144661244.db2.gz HVTVCBXHORLQLN-UHFFFAOYSA-N 0 3 317.458 2.167 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001265230708 1144673081 /nfs/dbraw/zinc/67/30/81/1144673081.db2.gz KKHNXVYGPCVTIO-SJORKVTESA-N 0 3 319.449 2.222 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ccc(OC)nn2)C1 ZINC001265310716 1144690188 /nfs/dbraw/zinc/69/01/88/1144690188.db2.gz UDCYQTPDXODBMB-CQSZACIVSA-N 0 3 320.437 2.260 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001265317571 1144692828 /nfs/dbraw/zinc/69/28/28/1144692828.db2.gz RQAMOTZSJOAFTF-WMLDXEAASA-N 0 3 320.408 2.322 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001265321809 1144693269 /nfs/dbraw/zinc/69/32/69/1144693269.db2.gz QWLAVPCOBFQJKZ-VIFPVBQESA-N 0 3 300.271 2.341 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001265321808 1144693452 /nfs/dbraw/zinc/69/34/52/1144693452.db2.gz QWLAVPCOBFQJKZ-SECBINFHSA-N 0 3 300.271 2.341 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2ccco2)CC1 ZINC001265334171 1144695183 /nfs/dbraw/zinc/69/51/83/1144695183.db2.gz LIEDPWPFAJPXFW-ZBFHGGJFSA-N 0 3 300.402 2.062 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(CC)CCOCC2)CC1 ZINC001265333916 1144695238 /nfs/dbraw/zinc/69/52/38/1144695238.db2.gz GSBBRQIPFSFXQL-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001265343369 1144696059 /nfs/dbraw/zinc/69/60/59/1144696059.db2.gz HUZPVHWMUZFPOF-MRXNPFEDSA-N 0 3 320.383 2.410 20 30 DEEDHN Cn1cccc1C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001265348403 1144696937 /nfs/dbraw/zinc/69/69/37/1144696937.db2.gz RZJJXBRHTZMEDL-SFHVURJKSA-N 0 3 321.424 2.175 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001265553404 1144711528 /nfs/dbraw/zinc/71/15/28/1144711528.db2.gz QAUQLHYLTLTIAM-SOUVJXGZSA-N 0 3 317.433 2.429 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001265693130 1144729290 /nfs/dbraw/zinc/72/92/90/1144729290.db2.gz DUNDFADBAVPZGW-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCOCC2CC2)C1 ZINC001265703812 1144731977 /nfs/dbraw/zinc/73/19/77/1144731977.db2.gz UYPJWHBKKLWNGT-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001265792764 1144741762 /nfs/dbraw/zinc/74/17/62/1144741762.db2.gz UTXBYOSDHJJAPT-CYBMUJFWSA-N 0 3 304.438 2.284 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC001265923751 1144759111 /nfs/dbraw/zinc/75/91/11/1144759111.db2.gz YHHJNBDHFRIUJD-INIZCTEOSA-N 0 3 318.392 2.199 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001266223662 1144816255 /nfs/dbraw/zinc/81/62/55/1144816255.db2.gz UWSWBBZKKKRGPE-CQSZACIVSA-N 0 3 318.421 2.123 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001266223662 1144816256 /nfs/dbraw/zinc/81/62/56/1144816256.db2.gz UWSWBBZKKKRGPE-CQSZACIVSA-N 0 3 318.421 2.123 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)OCC(C)C)CC2)CC1 ZINC001279352648 1144821203 /nfs/dbraw/zinc/82/12/03/1144821203.db2.gz IXAVKQPUJVQHDF-MRXNPFEDSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccc(C)cc2F)C1 ZINC001279517747 1144823504 /nfs/dbraw/zinc/82/35/04/1144823504.db2.gz BCUNXBLCXMKIMZ-SFHVURJKSA-N 0 3 320.408 2.267 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCOCC(F)(F)F)[C@@H]2C1 ZINC001279618307 1144826057 /nfs/dbraw/zinc/82/60/57/1144826057.db2.gz CTMLKPCSDOHKRN-QWHCGFSZSA-N 0 3 320.355 2.064 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](CC)OC)cc1 ZINC001280340061 1144835993 /nfs/dbraw/zinc/83/59/93/1144835993.db2.gz GFGHKYVKWZNTIT-YOEHRIQHSA-N 0 3 302.418 2.402 20 30 DEEDHN CC[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001280392250 1144837705 /nfs/dbraw/zinc/83/77/05/1144837705.db2.gz VDSWMBOEJIHAQU-DLBZAZTESA-N 0 3 320.477 2.243 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C(C)C)nn2CC)CCC1 ZINC001280491500 1144842358 /nfs/dbraw/zinc/84/23/58/1144842358.db2.gz RKGUZXBMCNYKSD-UHFFFAOYSA-N 0 3 316.449 2.292 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001280835530 1144858978 /nfs/dbraw/zinc/85/89/78/1144858978.db2.gz JGXOJCDQLSIQSY-BCDXTJNWSA-N 0 3 320.477 2.243 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001281042426 1144869888 /nfs/dbraw/zinc/86/98/88/1144869888.db2.gz TZRFWMYGCRXLBH-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001281138046 1144873528 /nfs/dbraw/zinc/87/35/28/1144873528.db2.gz ORZZWRDRGYVSKS-HKUYNNGSSA-N 0 3 318.461 2.089 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)[C@@H]1C ZINC001281209926 1144878213 /nfs/dbraw/zinc/87/82/13/1144878213.db2.gz PEKDDIYXPPSIPK-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)Cc3cnoc3)cc2C1 ZINC001281297888 1144881410 /nfs/dbraw/zinc/88/14/10/1144881410.db2.gz FRQQYIMTHRLVEC-UHFFFAOYSA-N 0 3 311.385 2.425 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001316610337 1144885587 /nfs/dbraw/zinc/88/55/87/1144885587.db2.gz IKBSLKANAHSUEY-DZGCQCFKSA-N 0 3 319.453 2.107 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)C(C)(F)F)CC2)C1 ZINC001281784733 1144914102 /nfs/dbraw/zinc/91/41/02/1144914102.db2.gz YSSYHASEDHITPI-UHFFFAOYSA-N 0 3 316.392 2.301 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccc(F)c(C)c2)CC1 ZINC001281816248 1144915066 /nfs/dbraw/zinc/91/50/66/1144915066.db2.gz GGKKIBBPWLVCJG-UHFFFAOYSA-N 0 3 320.408 2.267 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC001281921144 1144920465 /nfs/dbraw/zinc/92/04/65/1144920465.db2.gz XECOLMRXIGLCNY-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN CCOc1cccc(CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001282130276 1144993484 /nfs/dbraw/zinc/99/34/84/1144993484.db2.gz WOVUJESCEHSJDA-GJZGRUSLSA-N 0 3 317.433 2.123 20 30 DEEDHN CCOc1cccc(CN[C@H](C)[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001282130275 1144994002 /nfs/dbraw/zinc/99/40/02/1144994002.db2.gz WOVUJESCEHSJDA-CABCVRRESA-N 0 3 317.433 2.123 20 30 DEEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)Cc1ccc2c(c1)COC2 ZINC001282384486 1145054882 /nfs/dbraw/zinc/05/48/82/1145054882.db2.gz LUDJMZUOOVEABB-CQSZACIVSA-N 0 3 312.413 2.067 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC1(COC)CC1 ZINC001282665487 1145119111 /nfs/dbraw/zinc/11/91/11/1145119111.db2.gz FAIYNBBQGMOOAN-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)C1CN(CCc2cccs2)C1 ZINC001282706579 1145136739 /nfs/dbraw/zinc/13/67/39/1145136739.db2.gz NKXLTZPDBUYEJX-CQSZACIVSA-N 0 3 304.459 2.387 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H](F)c2ccccc2)C1 ZINC001282742399 1145158738 /nfs/dbraw/zinc/15/87/38/1145158738.db2.gz YDJVQJAIDFMSLW-WMLDXEAASA-N 0 3 320.408 2.336 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001282873843 1145184734 /nfs/dbraw/zinc/18/47/34/1145184734.db2.gz CWOYRGFWTHLLQR-OSYLJGHBSA-N 0 3 313.445 2.478 20 30 DEEDHN C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001283189953 1145309329 /nfs/dbraw/zinc/30/93/29/1145309329.db2.gz BRSNFRKCRAZBQG-GFCCVEGCSA-N 0 3 318.421 2.124 20 30 DEEDHN CC[C@H](C)N[C@H](CNc1cnc(C#N)c(C#N)n1)c1ccco1 ZINC001364555220 1145338739 /nfs/dbraw/zinc/33/87/39/1145338739.db2.gz GBAMATIRWCBLET-SMDDNHRTSA-N 0 3 310.361 2.354 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCN(C)C(=O)CN1CCC[C@H]1C ZINC001283553016 1145516334 /nfs/dbraw/zinc/51/63/34/1145516334.db2.gz GMHKZHANFXYVEM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN COc1cccc2c1CC[C@@H](NCC1(C#N)CCOCC1)C2 ZINC001364766863 1145549071 /nfs/dbraw/zinc/54/90/71/1145549071.db2.gz AAVVLTAJGJAIHE-OAHLLOKOSA-N 0 3 300.402 2.462 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1ccccc1OC(C)C ZINC001283691706 1145589139 /nfs/dbraw/zinc/58/91/39/1145589139.db2.gz MJYLLNZVMVMXMP-MRXNPFEDSA-N 0 3 316.445 2.476 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001283704870 1145601669 /nfs/dbraw/zinc/60/16/69/1145601669.db2.gz LCJGTJZNWVUGIV-ZLPCBKJTSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(CC)C(=O)CN1CCC[C@H]1C ZINC001283747136 1145627433 /nfs/dbraw/zinc/62/74/33/1145627433.db2.gz YBNRGLMJWUNPRC-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](CO)NCc1ccc2ccccc2c1 ZINC001283757539 1145632679 /nfs/dbraw/zinc/63/26/79/1145632679.db2.gz UJVQRGZCICMMMP-IBGZPJMESA-N 0 3 324.424 2.066 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001283997624 1145742638 /nfs/dbraw/zinc/74/26/38/1145742638.db2.gz RKXDDWPQZZBAIG-HIFRSBDPSA-N 0 3 319.836 2.188 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3cnccc3c2)C1 ZINC001284014523 1145751732 /nfs/dbraw/zinc/75/17/32/1145751732.db2.gz BSOSXQPTOGFWFF-KBXCAEBGSA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3ccncc3c2)C1 ZINC001284015623 1145752881 /nfs/dbraw/zinc/75/28/81/1145752881.db2.gz GCHRPFPYLOVQIB-KSSFIOAISA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CC[C@@H]3CCCCO3)CCC[C@H]12 ZINC001284067111 1145783017 /nfs/dbraw/zinc/78/30/17/1145783017.db2.gz KQMMMMSFCMOLRZ-JENIJYKNSA-N 0 3 318.461 2.472 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCc3cccs3)CCC[C@@H]12 ZINC001284068134 1145783242 /nfs/dbraw/zinc/78/32/42/1145783242.db2.gz 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ZINC001317115987 1147661643 /nfs/dbraw/zinc/66/16/43/1147661643.db2.gz AOXFLCDDARPSEY-SJWGOKEGSA-N 0 3 300.377 2.070 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCNC(=O)C(C)(C)C ZINC001317173299 1147670907 /nfs/dbraw/zinc/67/09/07/1147670907.db2.gz KFDMJIRIJCGGOH-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CCC1(C(=O)N[C@@H](C)[C@H]2CCCN(CC#CCOC)C2)CCC1 ZINC001317206238 1147676729 /nfs/dbraw/zinc/67/67/29/1147676729.db2.gz BUNZXQSCCQIJJK-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N1CCC(C)CC1 ZINC001317267998 1147684530 /nfs/dbraw/zinc/68/45/30/1147684530.db2.gz KAYQAUBSCJKSLO-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@H]1CCCCC1(C)C ZINC001317291561 1147686349 /nfs/dbraw/zinc/68/63/49/1147686349.db2.gz TVWOTCNLKFMAOP-HZPDHXFCSA-N 0 3 308.466 2.337 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001317294791 1147686617 /nfs/dbraw/zinc/68/66/17/1147686617.db2.gz QXZHTTJXGOPMPL-AWEZNQCLSA-N 0 3 302.418 2.090 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001317294464 1147686801 /nfs/dbraw/zinc/68/68/01/1147686801.db2.gz MGSDCMBBNUYSBT-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cn2cc(C)c3ccccc32)C1 ZINC001317307080 1147688561 /nfs/dbraw/zinc/68/85/61/1147688561.db2.gz TZEXELUBCWFTQA-INIZCTEOSA-N 0 3 309.413 2.164 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC001317382529 1147700239 /nfs/dbraw/zinc/70/02/39/1147700239.db2.gz YNXFEHOKHUGRBR-MRXNPFEDSA-N 0 3 302.393 2.314 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001317445736 1147709925 /nfs/dbraw/zinc/70/99/25/1147709925.db2.gz HGGZFGHSJPCEAI-UONOGXRCSA-N 0 3 322.836 2.487 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(COC)CCCCC1 ZINC001317502164 1147716777 /nfs/dbraw/zinc/71/67/77/1147716777.db2.gz ONZAELSGBPNTFA-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1cccc(Cl)c1 ZINC001317516351 1147718672 /nfs/dbraw/zinc/71/86/72/1147718672.db2.gz 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C=C(C)CN1CC[C@H](NC(=O)CCOc2cccc(F)c2)C1 ZINC001318255117 1147804518 /nfs/dbraw/zinc/80/45/18/1147804518.db2.gz NQAIEDPXXLUMRB-HNNXBMFYSA-N 0 3 306.381 2.361 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC)c2ccc(OC)cc2)C1 ZINC001318301912 1147808683 /nfs/dbraw/zinc/80/86/83/1147808683.db2.gz ZIIZHAQGDMLAMM-FUHWJXTLSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccn(C)c2CC)CC1 ZINC001324885866 1147855491 /nfs/dbraw/zinc/85/54/91/1147855491.db2.gz BTIFBNMZBLHNTJ-UHFFFAOYSA-N 0 3 301.434 2.053 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C2(CC)CCOCC2)CC1 ZINC001324892016 1147855900 /nfs/dbraw/zinc/85/59/00/1147855900.db2.gz GYENLZKXDFRAIX-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001324899277 1147856509 /nfs/dbraw/zinc/85/65/09/1147856509.db2.gz MCNOJXHNGHUIBB-FVQBIDKESA-N 0 3 305.422 2.178 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001324943484 1147861029 /nfs/dbraw/zinc/86/10/29/1147861029.db2.gz IWYSQPCNMQOKMH-QGZVFWFLSA-N 0 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/nfs/dbraw/zinc/31/36/42/1148313642.db2.gz BQCQLYYHUDWXAH-KRWDZBQOSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC001327162684 1148340613 /nfs/dbraw/zinc/34/06/13/1148340613.db2.gz KMICOCMAVRKGDS-DLBZAZTESA-N 0 3 314.429 2.448 20 30 DEEDHN N#Cc1cccc(OCCN(CCC(N)=O)Cc2ccccc2)c1 ZINC000076799230 185042538 /nfs/dbraw/zinc/04/25/38/185042538.db2.gz NHMIZRIEIYXACR-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN Cc1nccc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)n1 ZINC000424077253 230593971 /nfs/dbraw/zinc/59/39/71/230593971.db2.gz BALPNKORZXJDAU-HNNXBMFYSA-N 0 3 309.373 2.412 20 30 DEEDHN Cn1nc(C2CCCCC2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424122155 230598630 /nfs/dbraw/zinc/59/86/30/230598630.db2.gz IPVVYOMYANQBHI-CYBMUJFWSA-N 0 3 303.410 2.427 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCC(C)CC1 ZINC000612141733 361756800 /nfs/dbraw/zinc/75/68/00/361756800.db2.gz PXFXYVDCCZPQOY-WBVHZDCISA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCCCS1(=O)=O ZINC000612417039 361820981 /nfs/dbraw/zinc/82/09/81/361820981.db2.gz TXWMBHNNBQKVBK-NVXWUHKLSA-N 0 3 318.442 2.493 20 30 DEEDHN CC(C)CN(CC#CCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000625079189 365636545 /nfs/dbraw/zinc/63/65/45/365636545.db2.gz WGQNXVUMQMHJSW-UHFFFAOYSA-N 0 3 310.397 2.406 20 30 DEEDHN CN(CCC(=O)Nc1sccc1C#N)Cc1cccnc1 ZINC000152753417 282152889 /nfs/dbraw/zinc/15/28/89/282152889.db2.gz GEDXVMTXBMXVHJ-UHFFFAOYSA-N 0 3 300.387 2.475 20 30 DEEDHN CC[C@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000339625452 529584332 /nfs/dbraw/zinc/58/43/32/529584332.db2.gz CIGLNIMNWOIZIV-GMTAPVOTSA-N 0 3 305.344 2.314 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000613302344 362074245 /nfs/dbraw/zinc/07/42/45/362074245.db2.gz VOLCXFPPWQVNCS-CQSZACIVSA-N 0 3 314.389 2.173 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)COc1ccc(C#N)cc1 ZINC000286624063 219089924 /nfs/dbraw/zinc/08/99/24/219089924.db2.gz CMMNJKLWJFDVAT-UHFFFAOYSA-N 0 3 315.417 2.271 20 30 DEEDHN C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C1=CCN(C)CC1 ZINC000272775105 210178998 /nfs/dbraw/zinc/17/89/98/210178998.db2.gz YGXYCGNUVYLJCG-LLVKDONJSA-N 0 3 302.353 2.469 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)n1 ZINC000302439402 529973571 /nfs/dbraw/zinc/97/35/71/529973571.db2.gz MUYZKXHMBLONDR-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN CN1CCC(CC(=O)N(CCC#N)Cc2cccnc2)CC1 ZINC000273210707 530048390 /nfs/dbraw/zinc/04/83/90/530048390.db2.gz LNHGXYOWYBJHGY-UHFFFAOYSA-N 0 3 300.406 2.056 20 30 DEEDHN CN1CC[NH+](CCC(C)(C)NC(=O)c2c([O-])cccc2F)CC1 ZINC000331249220 530071835 /nfs/dbraw/zinc/07/18/35/530071835.db2.gz VHFUONKAVIQDBW-UHFFFAOYSA-N 0 3 323.412 2.252 20 30 DEEDHN N#C[C@]1(F)CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000615665375 362675334 /nfs/dbraw/zinc/67/53/34/362675334.db2.gz ZTOPYRFCIQKEEP-GOSISDBHSA-N 0 3 315.392 2.363 20 30 DEEDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C#N)c(F)c1 ZINC000286894415 219213690 /nfs/dbraw/zinc/21/36/90/219213690.db2.gz DGBIHXDKRUVYGD-NEPJUHHUSA-N 0 3 310.394 2.173 20 30 DEEDHN CCC1(C(=O)NC[C@@H](C)NCc2ccc(F)c(C#N)c2)CC1 ZINC001480533489 1151844805 /nfs/dbraw/zinc/84/48/05/1151844805.db2.gz VGPXPLCREGAKCY-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2nnc(C3CC3)[n-]2)C1 ZINC001353688657 1151846572 /nfs/dbraw/zinc/84/65/72/1151846572.db2.gz OUXUCAKYNXRCOP-KBPBESRZSA-N 0 3 317.437 2.072 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(O)c2)CC1 ZINC000171944081 198012301 /nfs/dbraw/zinc/01/23/01/198012301.db2.gz OKRBYKSPOMYRRP-ZDUSSCGKSA-N 0 3 303.406 2.403 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC001300395889 1151849885 /nfs/dbraw/zinc/84/98/85/1151849885.db2.gz GOMFGMWIHMICHB-KFWWJZLASA-N 0 3 322.449 2.051 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H](c2ccccc2)N(C)C)c1O ZINC000005110740 353993477 /nfs/dbraw/zinc/99/34/77/353993477.db2.gz RXHZSCCIHDNSLA-OXNWSPOFSA-N 0 3 313.401 2.310 20 30 DEEDHN CN(C)[C@@H](CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000017794030 354042165 /nfs/dbraw/zinc/04/21/65/354042165.db2.gz AAXPUVLTUJBCDK-GOSISDBHSA-N 0 3 307.397 2.461 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1 ZINC000042470535 354195490 /nfs/dbraw/zinc/19/54/90/354195490.db2.gz MCCBOXQJMIPOBS-UHFFFAOYSA-N 0 3 322.412 2.348 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1OC ZINC000042505742 354197788 /nfs/dbraw/zinc/19/77/88/354197788.db2.gz DEONQWBUMHEWTC-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN CN(C)CCN(C(=O)COc1ccccc1C#N)C1CCCC1 ZINC000053152184 354424554 /nfs/dbraw/zinc/42/45/54/354424554.db2.gz XTSXFLAWBIOPCB-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCN2CC)cc1OC ZINC000054460832 354463508 /nfs/dbraw/zinc/46/35/08/354463508.db2.gz QRHMCZYWEXKGHV-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN N#CCNC(=O)CN(CCc1ccc(F)cc1)C1CCCC1 ZINC000108857349 283052991 /nfs/dbraw/zinc/05/29/91/283052991.db2.gz LJWSWXKBXANXOQ-UHFFFAOYSA-N 0 3 303.381 2.253 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1CCO ZINC000077285153 355196114 /nfs/dbraw/zinc/19/61/14/355196114.db2.gz IKFWABHSVGLBRP-OAHLLOKOSA-N 0 3 304.390 2.183 20 30 DEEDHN CN(CCOc1ccccc1C#N)[C@H](CO)Cc1ccccc1 ZINC000595594493 358495519 /nfs/dbraw/zinc/49/55/19/358495519.db2.gz DOHQCGXKDKCECK-SFHVURJKSA-N 0 3 310.397 2.472 20 30 DEEDHN N#Cc1cccnc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000089643927 355539861 /nfs/dbraw/zinc/53/98/61/355539861.db2.gz JXXKEULORSLFBC-IAGOWNOFSA-N 0 3 308.385 2.001 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cn(C)nc2-c2ccccc2)CC1 ZINC000091146104 355583444 /nfs/dbraw/zinc/58/34/44/355583444.db2.gz FUZARTQVWUTJFH-UHFFFAOYSA-N 0 3 322.412 2.371 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1c1c(C)cccc1C ZINC000595601200 358497347 /nfs/dbraw/zinc/49/73/47/358497347.db2.gz OIBCYTYYLFVOFW-HNNXBMFYSA-N 0 3 315.417 2.452 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3cccnc3)C2)s1 ZINC000370524079 283125072 /nfs/dbraw/zinc/12/50/72/283125072.db2.gz ROZJPOCJLXAGIX-CYBMUJFWSA-N 0 3 312.398 2.019 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@]1(C)CO)C(C)C ZINC000124526047 355808726 /nfs/dbraw/zinc/80/87/26/355808726.db2.gz AVKVHBCXGJGYEV-WMZOPIPTSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000138660498 355873016 /nfs/dbraw/zinc/87/30/16/355873016.db2.gz OVPMGCIDLQOJRD-UHFFFAOYSA-N 0 3 308.397 2.309 20 30 DEEDHN CCO[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000128949900 355831281 /nfs/dbraw/zinc/83/12/81/355831281.db2.gz WLBFPLKJBRYHLN-INIZCTEOSA-N 0 3 301.390 2.388 20 30 DEEDHN N#CC[C@H]1CCCN(CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000595609048 358500015 /nfs/dbraw/zinc/50/00/15/358500015.db2.gz FMOWEUBGENERFZ-CQSZACIVSA-N 0 3 314.389 2.350 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185791829 356211869 /nfs/dbraw/zinc/21/18/69/356211869.db2.gz YAAPVPCZOYKFBC-WMLDXEAASA-N 0 3 314.433 2.356 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCOC1)C(C)C ZINC000193966023 356232629 /nfs/dbraw/zinc/23/26/29/356232629.db2.gz SZTDVDRJFQKEIL-DLBZAZTESA-N 0 3 323.481 2.411 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000195179993 356250734 /nfs/dbraw/zinc/25/07/34/356250734.db2.gz AJGNLQZOYRRJDE-UHFFFAOYSA-N 0 3 307.397 2.479 20 30 DEEDHN COC(=O)C[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000315588672 356425034 /nfs/dbraw/zinc/42/50/34/356425034.db2.gz NTHJYWURSREKLK-OAHLLOKOSA-N 0 3 302.374 2.355 20 30 DEEDHN N#Cc1ccc(NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000298425242 283179069 /nfs/dbraw/zinc/17/90/69/283179069.db2.gz LTKCOZBIQKJVFS-IBGZPJMESA-N 0 3 307.397 2.389 20 30 DEEDHN CN(C)C[C@H]1CN(C(=O)CC(C)(C)C#N)c2ccccc2O1 ZINC000364977794 356666107 /nfs/dbraw/zinc/66/61/07/356666107.db2.gz CHYAQAUEPCVBRX-ZDUSSCGKSA-N 0 3 301.390 2.282 20 30 DEEDHN CCCCCCCCCCCC(=O)N[C@@H](CN)C(=O)NCC ZINC000498045248 356740988 /nfs/dbraw/zinc/74/09/88/356740988.db2.gz JMDGWOFFSTWYHC-HNNXBMFYSA-N 0 3 313.486 2.487 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cnc(C3CC3)o2)CC1 ZINC000578314109 356796247 /nfs/dbraw/zinc/79/62/47/356796247.db2.gz DTBWWUNTNACNPH-UHFFFAOYSA-N 0 3 318.421 2.392 20 30 DEEDHN Cc1nc(NCCCCN2CCN(C)CC2)c(Cl)cc1C#N ZINC000579301666 356952067 /nfs/dbraw/zinc/95/20/67/356952067.db2.gz BESACAKYYRACKM-UHFFFAOYSA-N 0 3 321.856 2.355 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCc2c1cccc2Cl ZINC000579810640 357033906 /nfs/dbraw/zinc/03/39/06/357033906.db2.gz CINKXBJMJFZZKF-BLLLJJGKSA-N 0 3 307.825 2.123 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)CCCCCC#N)C[C@H](C)O1 ZINC000589840204 357499873 /nfs/dbraw/zinc/49/98/73/357499873.db2.gz ZCTFKTLTLOPFHS-IYBDPMFKSA-N 0 3 309.454 2.466 20 30 DEEDHN Cn1cc(CNC[C@H](O)C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000590663623 357575124 /nfs/dbraw/zinc/57/51/24/357575124.db2.gz QQTDXOIJJHYRPK-KRWDZBQOSA-N 0 3 310.401 2.209 20 30 DEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cc2ccccc2o1 ZINC000590605169 357566681 /nfs/dbraw/zinc/56/66/81/357566681.db2.gz BUYBDPVORZLQBB-UKRRQHHQSA-N 0 3 301.390 2.290 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2ccc(O)cc2CC1 ZINC000590785331 357611553 /nfs/dbraw/zinc/61/15/53/357611553.db2.gz QWBAFDBGBZEEQE-OAHLLOKOSA-N 0 3 314.429 2.382 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000591040864 357665850 /nfs/dbraw/zinc/66/58/50/357665850.db2.gz SRKHAFLBNMFYEF-MGPQQGTHSA-N 0 3 319.430 2.272 20 30 DEEDHN CCC[C@H](CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591373995 357716028 /nfs/dbraw/zinc/71/60/28/357716028.db2.gz DLNFTRBRFQOLJN-SJORKVTESA-N 0 3 315.417 2.458 20 30 DEEDHN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](N)CCCC#N ZINC000592218656 357853649 /nfs/dbraw/zinc/85/36/49/357853649.db2.gz OIVYARSKCMNISM-CVEARBPZSA-N 0 3 314.433 2.265 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](OCC)C2)CC1 ZINC000592302306 357860774 /nfs/dbraw/zinc/86/07/74/357860774.db2.gz JAZCBMQQVXMKFL-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC(CCC#N)CC1 ZINC000592567831 357902438 /nfs/dbraw/zinc/90/24/38/357902438.db2.gz IBKJWPSAUBWJQM-DAYGRLMNSA-N 0 3 319.449 2.061 20 30 DEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000592729370 357932161 /nfs/dbraw/zinc/93/21/61/357932161.db2.gz MVRNMSHMMJTNLT-YOEHRIQHSA-N 0 3 323.396 2.411 20 30 DEEDHN CCC(C#N)C(=O)N(CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000593444137 358079860 /nfs/dbraw/zinc/07/98/60/358079860.db2.gz WIKWVJHHIDQLNE-GFCCVEGCSA-N 0 3 308.765 2.391 20 30 DEEDHN CC[C@H](C#N)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000593543403 358100460 /nfs/dbraw/zinc/10/04/60/358100460.db2.gz AGAVLPRTKCJFNM-UONOGXRCSA-N 0 3 300.406 2.273 20 30 DEEDHN CCC(C#N)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000593688557 358123656 /nfs/dbraw/zinc/12/36/56/358123656.db2.gz FVLDUAORWZDRLM-BPLDGKMQSA-N 0 3 302.374 2.073 20 30 DEEDHN COc1ccccc1C(C)(C)NC(=O)[C@H](N)CCCCC#N ZINC000594436529 358270185 /nfs/dbraw/zinc/27/01/85/358270185.db2.gz JZXPRXNJWIVWRC-CQSZACIVSA-N 0 3 303.406 2.458 20 30 DEEDHN CN(C)CCc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594658666 358312941 /nfs/dbraw/zinc/31/29/41/358312941.db2.gz ZTIBNWHAWDOLMP-UHFFFAOYSA-N 0 3 309.295 2.262 20 30 DEEDHN C=CCN(CC(=O)NC(=O)NCc1ccccc1)C(C)(C)C ZINC000595765307 358543508 /nfs/dbraw/zinc/54/35/08/358543508.db2.gz JWOMHVKXSBULSO-UHFFFAOYSA-N 0 3 303.406 2.299 20 30 DEEDHN COc1cccc(C2(NCCC(=O)N(C)CCC#N)CCC2)c1 ZINC000595854576 358565228 /nfs/dbraw/zinc/56/52/28/358565228.db2.gz WCOZOLPJPVNLTM-UHFFFAOYSA-N 0 3 315.417 2.426 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(CC#N)cc2)CCOCC1 ZINC000595875953 358569277 /nfs/dbraw/zinc/56/92/77/358569277.db2.gz HGVBVTQNKSKHJD-UHFFFAOYSA-N 0 3 316.401 2.345 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCCc2ccc(C#N)cc2)CCC1 ZINC000595689700 358523731 /nfs/dbraw/zinc/52/37/31/358523731.db2.gz DSVCPUWZHYIFAD-UHFFFAOYSA-N 0 3 314.433 2.226 20 30 DEEDHN C[C@@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1=CCN(C)CC1 ZINC000618826628 363612713 /nfs/dbraw/zinc/61/27/13/363612713.db2.gz IELQZBKXKVUYSR-ACJLOTCBSA-N 0 3 324.428 2.495 20 30 DEEDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)cc(C#N)c1[N+](=O)[O-] ZINC000596189825 358634858 /nfs/dbraw/zinc/63/48/58/358634858.db2.gz SMEGZQHFMAECRF-WFASDCNBSA-N 0 3 300.362 2.305 20 30 DEEDHN C=CCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000596718561 358746030 /nfs/dbraw/zinc/74/60/30/358746030.db2.gz LPFYPAPAAXIPAU-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN C=CCc1cc(CN[C@H]2C[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000597243084 358867249 /nfs/dbraw/zinc/86/72/49/358867249.db2.gz RLJHNVKCIKHZGK-HDJSIYSDSA-N 0 3 305.374 2.171 20 30 DEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ncc(C#N)cc1Cl ZINC000597605466 358961387 /nfs/dbraw/zinc/96/13/87/358961387.db2.gz PETAKBRTDDKDNC-LBPRGKRZSA-N 0 3 306.797 2.163 20 30 DEEDHN COc1cnccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000597611000 358962710 /nfs/dbraw/zinc/96/27/10/358962710.db2.gz OBYNLPXZFURQTB-OAHLLOKOSA-N 0 3 309.369 2.479 20 30 DEEDHN CC(C)N(CCOCCO)C(=O)C(C#N)CCc1ccccc1 ZINC000597628822 358967192 /nfs/dbraw/zinc/96/71/92/358967192.db2.gz JGVDBKCWGXNQJO-KRWDZBQOSA-N 0 3 318.417 2.005 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000598342522 359170231 /nfs/dbraw/zinc/17/02/31/359170231.db2.gz OFYXCZVTKFANON-OAHLLOKOSA-N 0 3 310.401 2.379 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000598604378 359259322 /nfs/dbraw/zinc/25/93/22/359259322.db2.gz MBOFGOFHQSATRM-QAPCUYQASA-N 0 3 300.402 2.419 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1 ZINC000598573783 359245670 /nfs/dbraw/zinc/24/56/70/359245670.db2.gz OQYRWDFXBRPSQL-MRXNPFEDSA-N 0 3 317.408 2.431 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000598598432 359256317 /nfs/dbraw/zinc/25/63/17/359256317.db2.gz FIAPHSMUWWHXIC-JYJNAYRXSA-N 0 3 306.381 2.234 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(N2CCCC2=O)c1 ZINC000598715998 359303253 /nfs/dbraw/zinc/30/32/53/359303253.db2.gz XIUIUTLALKOLKE-MRXNPFEDSA-N 0 3 315.417 2.204 20 30 DEEDHN CN1CCN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000598615011 359262031 /nfs/dbraw/zinc/26/20/31/359262031.db2.gz PXQSQQUVVQCDLV-ZWKOTPCHSA-N 0 3 315.461 2.146 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000598615528 359262217 /nfs/dbraw/zinc/26/22/17/359262217.db2.gz CJQMTDIAZCCXDX-YPMHNXCESA-N 0 3 308.344 2.066 20 30 DEEDHN COC1(C(F)(F)F)CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598623581 359265474 /nfs/dbraw/zinc/26/54/74/359265474.db2.gz YNIDXRIKQMQHIG-LLVKDONJSA-N 0 3 308.344 2.330 20 30 DEEDHN C=C(C)COCCNCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598641773 359271974 /nfs/dbraw/zinc/27/19/74/359271974.db2.gz MKQHEKZIVUUIAO-UHFFFAOYSA-N 0 3 306.406 2.293 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC(C)(C)CC[C@H]1CO ZINC000598646241 359274739 /nfs/dbraw/zinc/27/47/39/359274739.db2.gz DERLYWJOPMGCFO-HNNXBMFYSA-N 0 3 318.417 2.429 20 30 DEEDHN N#CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599621917 359545136 /nfs/dbraw/zinc/54/51/36/359545136.db2.gz BJLLCHVTQWDYPS-UHFFFAOYSA-N 0 3 314.389 2.326 20 30 DEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1F ZINC000599631444 359548649 /nfs/dbraw/zinc/54/86/49/359548649.db2.gz VSYQBOFJRQCAHQ-PBHICJAKSA-N 0 3 313.332 2.418 20 30 DEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1C[C@@H](O)C1 ZINC000599673182 359567023 /nfs/dbraw/zinc/56/70/23/359567023.db2.gz RATWRIACYIMWBF-YLADIXGZSA-N 0 3 321.465 2.008 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](NCc1ccc(CC#N)cc1)C(N)=O ZINC000428838759 237261043 /nfs/dbraw/zinc/26/10/43/237261043.db2.gz HXQBUPUUKYBYNM-RDTXWAMCSA-N 0 3 307.397 2.500 20 30 DEEDHN CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000600179221 359677697 /nfs/dbraw/zinc/67/76/97/359677697.db2.gz VTUJVDVFOHQMAJ-MRXNPFEDSA-N 0 3 315.417 2.422 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn3cccc(Cl)c23)CC1 ZINC000668370315 540655897 /nfs/dbraw/zinc/65/58/97/540655897.db2.gz UQNHNNUXJNLBJH-UHFFFAOYSA-N 0 3 318.808 2.368 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccncc2Cl)CC1 ZINC000668370282 540656071 /nfs/dbraw/zinc/65/60/71/540656071.db2.gz SHWVJPNLNZEDBG-UHFFFAOYSA-N 0 3 307.825 2.434 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@H](C(=O)OC)[C@@H](C)C2)cc1 ZINC000188106139 200195123 /nfs/dbraw/zinc/19/51/23/200195123.db2.gz CNQSEUYXGVDPPZ-YOEHRIQHSA-N 0 3 301.386 2.330 20 30 DEEDHN CCc1cnccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600738119 359816680 /nfs/dbraw/zinc/81/66/80/359816680.db2.gz YJXZWOQODFYJHD-KRWDZBQOSA-N 0 3 311.385 2.045 20 30 DEEDHN CCC(C#N)(CC)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000601798373 360153967 /nfs/dbraw/zinc/15/39/67/360153967.db2.gz UCTZOPNXHHYHMP-UHFFFAOYSA-N 0 3 315.421 2.102 20 30 DEEDHN CC[C@@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000601819100 360161669 /nfs/dbraw/zinc/16/16/69/360161669.db2.gz SLONXPBDDOJSIS-FUHWJXTLSA-N 0 3 311.385 2.004 20 30 DEEDHN Cc1ncc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000601967618 360213200 /nfs/dbraw/zinc/21/32/00/360213200.db2.gz IJBDTVHUJXYIQA-RISCZKNCSA-N 0 3 317.414 2.414 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(N(C)C)n1 ZINC000602581754 360443219 /nfs/dbraw/zinc/44/32/19/360443219.db2.gz JLTPXPJLSSXQAH-AWEZNQCLSA-N 0 3 302.422 2.336 20 30 DEEDHN COc1cccc([C@H](CNCc2cccc(C#N)n2)N(C)C)c1 ZINC000602506465 360408872 /nfs/dbraw/zinc/40/88/72/360408872.db2.gz XIKZWHKOLMLXRK-SFHVURJKSA-N 0 3 310.401 2.354 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN(C)CCCC ZINC000668730520 540718665 /nfs/dbraw/zinc/71/86/65/540718665.db2.gz PGHXZLHGWQEVDJ-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@](C)(O)C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000668916813 540752775 /nfs/dbraw/zinc/75/27/75/540752775.db2.gz GKPMQRVMNLPGIG-GOSISDBHSA-N 0 3 318.417 2.345 20 30 DEEDHN N#Cc1ccc(F)cc1Cn1cc(CCN2CCCCC2)nn1 ZINC000603216897 360751877 /nfs/dbraw/zinc/75/18/77/360751877.db2.gz GTTRAPDZXDYRTD-UHFFFAOYSA-N 0 3 313.380 2.366 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN(CC)CCC ZINC000669219926 540801203 /nfs/dbraw/zinc/80/12/03/540801203.db2.gz FYWIEOYVENOYLT-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc[nH]c1=O)C(C)C ZINC000603287923 360778817 /nfs/dbraw/zinc/77/88/17/360778817.db2.gz XVKKVDOBYLTJQY-HNNXBMFYSA-N 0 3 303.406 2.216 20 30 DEEDHN CN(CCN1CCCC1)C(=O)c1cc2ccccc2n1CC#N ZINC000609175230 361288233 /nfs/dbraw/zinc/28/82/33/361288233.db2.gz HSWNPQCHRSCRTB-UHFFFAOYSA-N 0 3 310.401 2.333 20 30 DEEDHN CN1CC[C@@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000609574061 361322646 /nfs/dbraw/zinc/32/26/46/361322646.db2.gz KNOCUXDIROTEBT-YPMHNXCESA-N 0 3 311.307 2.338 20 30 DEEDHN C[C@H](C[C@@H]1CCOC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619298209 363759970 /nfs/dbraw/zinc/75/99/70/363759970.db2.gz QEWVWJJBEWBKNU-COXVUDFISA-N 0 3 311.385 2.172 20 30 DEEDHN N#CCN1CCC(NCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000619426280 363789431 /nfs/dbraw/zinc/78/94/31/363789431.db2.gz MVURBMQPHKPRBF-UHFFFAOYSA-N 0 3 313.380 2.089 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(Cc1cc(C#N)ccc1OC)CC2 ZINC000610962194 361499393 /nfs/dbraw/zinc/49/93/93/361499393.db2.gz FTYPHMHLDPZPFV-HNNXBMFYSA-N 0 3 314.385 2.342 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000610947068 361495765 /nfs/dbraw/zinc/49/57/65/361495765.db2.gz FKYDZRLILMXLOG-PBHICJAKSA-N 0 3 303.381 2.434 20 30 DEEDHN Cn1c(CNC2CCN(CC#N)CC2)nc2ccc(Cl)cc21 ZINC000611198690 361547645 /nfs/dbraw/zinc/54/76/45/361547645.db2.gz MEFQTMKCFGTACW-UHFFFAOYSA-N 0 3 317.824 2.304 20 30 DEEDHN Cc1nn(C(C)(C)C)c(C)c1CNC1CCN(CC#N)CC1 ZINC000611118751 361529743 /nfs/dbraw/zinc/52/97/43/361529743.db2.gz JCKQKJWGBOXSHX-UHFFFAOYSA-N 0 3 303.454 2.333 20 30 DEEDHN C[C@@H](CCS(C)(=O)=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393360 361590465 /nfs/dbraw/zinc/59/04/65/361590465.db2.gz HPJSWRRZJRGFBK-LRDDRELGSA-N 0 3 306.431 2.348 20 30 DEEDHN CN(C)[C@@H](CNC(=O)NCC(C)(C)C#N)Cc1ccccc1 ZINC000611623022 361646871 /nfs/dbraw/zinc/64/68/71/361646871.db2.gz WERYFCOLZHVNFA-OAHLLOKOSA-N 0 3 302.422 2.008 20 30 DEEDHN CC[C@H]1CN(CCOc2ccc(C#N)cc2OC)CCCO1 ZINC000281545955 216375266 /nfs/dbraw/zinc/37/52/66/216375266.db2.gz XEGVROLOPCXJIN-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN C=C[C@H](NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)OC ZINC000619700349 363858316 /nfs/dbraw/zinc/85/83/16/363858316.db2.gz ULDBGWWZGNQGCB-INIZCTEOSA-N 0 3 306.381 2.107 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000449869335 241191084 /nfs/dbraw/zinc/19/10/84/241191084.db2.gz GXVYAQXRFPUITM-BACDZXNISA-N 0 3 306.450 2.300 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001422149869 1172346636 /nfs/dbraw/zinc/34/66/36/1172346636.db2.gz BHDGTFWKBLICOI-WBMJQRKESA-N 0 3 303.381 2.363 20 30 DEEDHN C[C@H]1CN(C2CCN(Cc3cc(C#N)cs3)CC2)CCO1 ZINC000092079820 193155368 /nfs/dbraw/zinc/15/53/68/193155368.db2.gz DSRHNEDQDIEEDB-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN C=CC[C@H](C(=O)NCCN1CCN(CC)CC1)c1ccccc1 ZINC000275241048 212219227 /nfs/dbraw/zinc/21/92/27/212219227.db2.gz GJLFBSVRHHUKND-SFHVURJKSA-N 0 3 315.461 2.100 20 30 DEEDHN C=CCOc1ccccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000678237137 541696255 /nfs/dbraw/zinc/69/62/55/541696255.db2.gz NPNUJSORVQPVHD-QZTJIDSGSA-N 0 3 316.445 2.282 20 30 DEEDHN C=CCOc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000678237972 541696278 /nfs/dbraw/zinc/69/62/78/541696278.db2.gz NNIXCPXEDPPIPS-OALUTQOASA-N 0 3 316.445 2.282 20 30 DEEDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1sccc1C#N ZINC000451726123 243372755 /nfs/dbraw/zinc/37/27/55/243372755.db2.gz RGRDBLMYITZJFX-CQSZACIVSA-N 0 3 320.462 2.364 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000452380827 244225054 /nfs/dbraw/zinc/22/50/54/244225054.db2.gz UHVZZLHIAHHZHJ-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000678785493 541765361 /nfs/dbraw/zinc/76/53/61/541765361.db2.gz GHEVCRBNJBVOKT-BYCMXARLSA-N 0 3 304.390 2.384 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452535742 244366841 /nfs/dbraw/zinc/36/68/41/244366841.db2.gz RCOIDVKSWHSECJ-BXKDBHETSA-N 0 3 300.280 2.405 20 30 DEEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000266021963 205033142 /nfs/dbraw/zinc/03/31/42/205033142.db2.gz RFZOXDWYSIWRGV-DANNLKNASA-N 0 3 313.401 2.288 20 30 DEEDHN COc1cc(OC)c2ncc(C#N)c(N(C)CCN(C)C)c2c1 ZINC000288362903 220109559 /nfs/dbraw/zinc/10/95/59/220109559.db2.gz KSYJAFMWWSVSCA-UHFFFAOYSA-N 0 3 314.389 2.121 20 30 DEEDHN CN(C)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000016467998 182045748 /nfs/dbraw/zinc/04/57/48/182045748.db2.gz VBBYRDILUMNEDL-SFHVURJKSA-N 0 3 323.396 2.356 20 30 DEEDHN C=CCNC(=O)c1ccc(NC[C@H]2CCCCN2CC)nc1 ZINC000267523257 206122344 /nfs/dbraw/zinc/12/23/44/206122344.db2.gz MYONWLXHWHEGBI-OAHLLOKOSA-N 0 3 302.422 2.284 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001574963065 1069309339 /nfs/dbraw/zinc/30/93/39/1069309339.db2.gz QZZXFVWLJOFQEK-CYBMUJFWSA-N 0 3 316.298 2.457 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000458057278 248131595 /nfs/dbraw/zinc/13/15/95/248131595.db2.gz YGOKZNJPKKKKIA-SJORKVTESA-N 0 3 319.449 2.224 20 30 DEEDHN Cc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)ccc1OCCN(C)C ZINC000458207885 248205195 /nfs/dbraw/zinc/20/51/95/248205195.db2.gz IWHZILKANBTREV-CXAGYDPISA-N 0 3 301.390 2.424 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C2(O)CCCC2)CC1 ZINC000458344447 248271090 /nfs/dbraw/zinc/27/10/90/248271090.db2.gz UIRZVCYUYRSNAX-UHFFFAOYSA-N 0 3 323.481 2.267 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)/C=C\c2ccccc2)o1 ZINC000492856970 249156612 /nfs/dbraw/zinc/15/66/12/249156612.db2.gz WVHDJRPTQSWWQC-YFHOEESVSA-N 0 3 309.369 2.461 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000042237859 183245554 /nfs/dbraw/zinc/24/55/54/183245554.db2.gz QDQQSFNJDQARDB-WDEREUQCSA-N 0 3 309.207 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1nc(C)cc1C)C(C)C ZINC000047633783 183599219 /nfs/dbraw/zinc/59/92/19/183599219.db2.gz NRZZCVKVDZQXLC-QGZVFWFLSA-N 0 3 318.465 2.315 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000106039824 194180845 /nfs/dbraw/zinc/18/08/45/194180845.db2.gz JYKRFZWBEZHYKE-UHFFFAOYSA-N 0 3 317.389 2.294 20 30 DEEDHN C=CCOc1ccccc1CN1CCN(CCO)C(C)(C)C1 ZINC000682166052 542272650 /nfs/dbraw/zinc/27/26/50/542272650.db2.gz GTOZRWQWIIMXDY-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCO[C@@H]1C ZINC001422460568 1172609770 /nfs/dbraw/zinc/60/97/70/1172609770.db2.gz BNAXTNWWZYIUFJ-OLZOCXBDSA-N 0 3 302.846 2.238 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2C2CCOCC2)cc1 ZINC000538629216 285042172 /nfs/dbraw/zinc/04/21/72/285042172.db2.gz ZYUOPOCVAUEYJA-KRWDZBQOSA-N 0 3 313.401 2.388 20 30 DEEDHN C=CCCS(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000119823252 195044014 /nfs/dbraw/zinc/04/40/14/195044014.db2.gz PUOCLZKYMAFUPY-UHFFFAOYSA-N 0 3 314.495 2.480 20 30 DEEDHN CCCN1CCC(N(C)S(=O)(=O)c2ccccc2C#N)CC1 ZINC000156750784 197137497 /nfs/dbraw/zinc/13/74/97/197137497.db2.gz FSISVIYDIITESK-UHFFFAOYSA-N 0 3 321.446 2.053 20 30 DEEDHN CC(C)[C@@H](CO)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000156393901 197109739 /nfs/dbraw/zinc/10/97/39/197109739.db2.gz HNXCMTFTGHBHER-OAHLLOKOSA-N 0 3 323.824 2.193 20 30 DEEDHN C=CCN(C(=O)NCC1(N(C)C)Cc2ccccc2C1)C1CC1 ZINC000271596600 209044787 /nfs/dbraw/zinc/04/47/87/209044787.db2.gz USNHSPXHBINZKQ-UHFFFAOYSA-N 0 3 313.445 2.446 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000684796228 542665746 /nfs/dbraw/zinc/66/57/46/542665746.db2.gz PCBBMLPTHCNDPY-PVAVHDDUSA-N 0 3 321.465 2.284 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000684808479 542667369 /nfs/dbraw/zinc/66/73/69/542667369.db2.gz VNSCVNPLPRXBAB-JYJNAYRXSA-N 0 3 309.454 2.141 20 30 DEEDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)C(=O)Nc1ccccc1C#N ZINC000355345919 133019780 /nfs/dbraw/zinc/01/97/80/133019780.db2.gz NIQMBBHZQKOABG-YDHLFZDLSA-N 0 3 301.390 2.290 20 30 DEEDHN N#Cc1ccccc1OCCN[C@H](CO)c1ccc(F)cc1 ZINC000359624143 133135333 /nfs/dbraw/zinc/13/53/33/133135333.db2.gz HTPBKNPPTVAEOD-MRXNPFEDSA-N 0 3 300.333 2.399 20 30 DEEDHN C[C@@H]1CN(C2CCN(Cc3cccc(F)c3C#N)CC2)CCO1 ZINC000362294359 133222213 /nfs/dbraw/zinc/22/22/13/133222213.db2.gz FKWJTXMCEQSWRZ-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN CC(C)[C@@]1(CO)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000377651959 133339092 /nfs/dbraw/zinc/33/90/92/133339092.db2.gz ZETMOKZWNWZAPL-INIZCTEOSA-N 0 3 321.446 2.289 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2cccc(C#N)n2)CCN(C2CCC2)C1 ZINC000563099359 292031497 /nfs/dbraw/zinc/03/14/97/292031497.db2.gz FBWPSHRWCRVTQJ-ZDUSSCGKSA-N 0 3 313.405 2.291 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000291675482 404474240 /nfs/dbraw/zinc/47/42/40/404474240.db2.gz BTRVDWUOTWCBFV-HFTRVMKXSA-N 0 3 302.418 2.093 20 30 DEEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C#N)cn2)C1 ZINC000564129092 292086746 /nfs/dbraw/zinc/08/67/46/292086746.db2.gz ILWUVMHAKRVOCF-QGZVFWFLSA-N 0 3 301.390 2.364 20 30 DEEDHN C[C@@H]1[C@H](CO)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000414020585 404481141 /nfs/dbraw/zinc/48/11/41/404481141.db2.gz DTNFFVVCTKURHR-PVAVHDDUSA-N 0 3 300.402 2.378 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000564868887 292116674 /nfs/dbraw/zinc/11/66/74/292116674.db2.gz KCPUNEZKBAUNKK-RFUYNDQBSA-N 0 3 324.380 2.410 20 30 DEEDHN N#Cc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1F ZINC000192031842 145069695 /nfs/dbraw/zinc/06/96/95/145069695.db2.gz USXVVIRBFVGNTP-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000346182845 146032349 /nfs/dbraw/zinc/03/23/49/146032349.db2.gz JPZWCHDDAKRMSK-DAYGRLMNSA-N 0 3 311.429 2.289 20 30 DEEDHN C[C@H](CCN1CCN(C)CC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000349378093 146374109 /nfs/dbraw/zinc/37/41/09/146374109.db2.gz KZFDOKIHTPWFAI-CABCVRRESA-N 0 3 318.440 2.374 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372154180 148175560 /nfs/dbraw/zinc/17/55/60/148175560.db2.gz DCLORNLJKLRKLS-FVQBIDKESA-N 0 3 313.401 2.244 20 30 DEEDHN COCC(C)(C)CCCNCc1cnc2c(C#N)cnn2c1 ZINC000565834559 292185460 /nfs/dbraw/zinc/18/54/60/292185460.db2.gz YCBKNNHQBMOLEW-UHFFFAOYSA-N 0 3 301.394 2.143 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](N(C)C)C2)c(C#N)c1C ZINC000112601231 401750195 /nfs/dbraw/zinc/75/01/95/401750195.db2.gz DPWRGSSDRQSHSM-JSGCOSHPSA-N 0 3 318.421 2.121 20 30 DEEDHN CC#CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000135283046 401933659 /nfs/dbraw/zinc/93/36/59/401933659.db2.gz UMSNIHSKCRITRX-CQSZACIVSA-N 0 3 305.447 2.283 20 30 DEEDHN Cc1cncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000079609452 401877502 /nfs/dbraw/zinc/87/75/02/401877502.db2.gz DQELCTMWGMAACQ-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000089824408 401966541 /nfs/dbraw/zinc/96/65/41/401966541.db2.gz VAPCSOKCPBDBHV-INIZCTEOSA-N 0 3 315.417 2.122 20 30 DEEDHN COC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000136641410 401970763 /nfs/dbraw/zinc/97/07/63/401970763.db2.gz ODRHPQOPSMWREE-RHSMWYFYSA-N 0 3 315.417 2.336 20 30 DEEDHN Cc1cccnc1CCCNCc1cnc2c(C#N)cnn2c1 ZINC000566243665 292221053 /nfs/dbraw/zinc/22/10/53/292221053.db2.gz ZGWAZSCTVSXABZ-UHFFFAOYSA-N 0 3 306.373 2.027 20 30 DEEDHN CCOC(=O)CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000102397356 402166540 /nfs/dbraw/zinc/16/65/40/402166540.db2.gz JSBYGHORVNTWPX-UHFFFAOYSA-N 0 3 315.417 2.414 20 30 DEEDHN N#CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000153855263 402175373 /nfs/dbraw/zinc/17/53/73/402175373.db2.gz IHFRCDOUACPEPL-UHFFFAOYSA-N 0 3 321.808 2.213 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000069805447 402244937 /nfs/dbraw/zinc/24/49/37/402244937.db2.gz KMWUDXGSFNEXNS-VIFPVBQESA-N 0 3 319.785 2.085 20 30 DEEDHN CN1CCC[C@H](CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000108337073 402250239 /nfs/dbraw/zinc/25/02/39/402250239.db2.gz YMOZDLSIQLZXDP-MRXNPFEDSA-N 0 3 317.458 2.249 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCCN1C ZINC000125791024 402250720 /nfs/dbraw/zinc/25/07/20/402250720.db2.gz BMVJWKIHHRCDOI-CYBMUJFWSA-N 0 3 304.390 2.084 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)c1nccn1CC(F)(F)F ZINC000155503200 402259197 /nfs/dbraw/zinc/25/91/97/402259197.db2.gz DONJOIIQYLCGCS-LBPRGKRZSA-N 0 3 322.290 2.369 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105264608 402207775 /nfs/dbraw/zinc/20/77/75/402207775.db2.gz UUBIYJJERUVBII-CQSZACIVSA-N 0 3 317.408 2.453 20 30 DEEDHN CN(CCOCC1CC1)CCC(=O)Nc1ccccc1C#N ZINC000125027500 402209482 /nfs/dbraw/zinc/20/94/82/402209482.db2.gz LJMMBCDJWLOCRZ-UHFFFAOYSA-N 0 3 301.390 2.245 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](COCC)C2)CC1 ZINC000176054976 402274121 /nfs/dbraw/zinc/27/41/21/402274121.db2.gz YHILPKKCPVCLFT-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncccc2OCC)CC1 ZINC000176321964 402299564 /nfs/dbraw/zinc/29/95/64/402299564.db2.gz VUQJJTYJWXWNGM-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2CCSCC2)cc1 ZINC000229256795 402341880 /nfs/dbraw/zinc/34/18/80/402341880.db2.gz JOCRWFDIPVFCAK-UHFFFAOYSA-N 0 3 324.471 2.065 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160401235 402344347 /nfs/dbraw/zinc/34/43/47/402344347.db2.gz PHDCRNKVCABBJE-CZUORRHYSA-N 0 3 310.401 2.264 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2c(F)cccc2F)s1 ZINC000176968818 402355229 /nfs/dbraw/zinc/35/52/29/402355229.db2.gz IOHZFDSTNBPFAB-UHFFFAOYSA-N 0 3 321.352 2.418 20 30 DEEDHN Cc1nc(CNC(=N)Nc2ccccc2OC(F)(F)F)no1 ZINC000160735668 402359212 /nfs/dbraw/zinc/35/92/12/402359212.db2.gz QHTNJPNKGBZQTE-UHFFFAOYSA-N 0 3 315.255 2.203 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CN1C1CC1 ZINC000177047244 402363883 /nfs/dbraw/zinc/36/38/83/402363883.db2.gz PZLGMKVETLYLFG-GXTWGEPZSA-N 0 3 315.442 2.392 20 30 DEEDHN C#CCNC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161035209 402370285 /nfs/dbraw/zinc/37/02/85/402370285.db2.gz DYJLMFOGNBZFDH-MRXNPFEDSA-N 0 3 323.400 2.085 20 30 DEEDHN C=CCc1cc(CN2CCC(CC(N)=O)CC2)cc(OC)c1O ZINC000159759648 402330423 /nfs/dbraw/zinc/33/04/23/402330423.db2.gz XMLLAZNEXGIIDZ-UHFFFAOYSA-N 0 3 318.417 2.217 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176730642 402331707 /nfs/dbraw/zinc/33/17/07/402331707.db2.gz BILXOQCSMSSRMJ-MSOLQXFVSA-N 0 3 311.429 2.495 20 30 DEEDHN C#CCCCCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162262508 402415172 /nfs/dbraw/zinc/41/51/72/402415172.db2.gz OJIALYXPFXJOFI-CYBMUJFWSA-N 0 3 309.207 2.369 20 30 DEEDHN N#Cc1csc(CNC[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000177697359 402427930 /nfs/dbraw/zinc/42/79/30/402427930.db2.gz KGXZIYBNDGKWTH-LLVKDONJSA-N 0 3 324.352 2.427 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186397928 402428172 /nfs/dbraw/zinc/42/81/72/402428172.db2.gz UCEYDIYWVPVMMK-ARFHVFGLSA-N 0 3 309.454 2.178 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000186513193 402438179 /nfs/dbraw/zinc/43/81/79/402438179.db2.gz IRGYZTXSGCGHJB-INIZCTEOSA-N 0 3 309.454 2.285 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CC=CCC2)cc1 ZINC000163081476 402441210 /nfs/dbraw/zinc/44/12/10/402441210.db2.gz OFKHTDLMFRKRIS-HNNXBMFYSA-N 0 3 304.415 2.278 20 30 DEEDHN CC1CCN(CCSc2nc(N)c(C#N)cc2C#N)CC1 ZINC000164833837 402469070 /nfs/dbraw/zinc/46/90/70/402469070.db2.gz REEUKQVCSAJJLX-UHFFFAOYSA-N 0 3 301.419 2.231 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCN(C)CC12CCCCC2 ZINC000178403093 402494530 /nfs/dbraw/zinc/49/45/30/402494530.db2.gz AWTDGPNKPVXRHK-UHFFFAOYSA-N 0 3 305.466 2.137 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246535413 402535272 /nfs/dbraw/zinc/53/52/72/402535272.db2.gz JOMWOCZONGBPFD-FUHWJXTLSA-N 0 3 319.493 2.360 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000171831803 402627197 /nfs/dbraw/zinc/62/71/97/402627197.db2.gz PUHFILUJTUQTFH-MRXNPFEDSA-N 0 3 300.406 2.232 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(=O)n(CC)c2)CC1 ZINC000171548125 402593249 /nfs/dbraw/zinc/59/32/49/402593249.db2.gz FQEIADRAZKRCDT-UHFFFAOYSA-N 0 3 318.421 2.030 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)CC1 ZINC000171716887 402613608 /nfs/dbraw/zinc/61/36/08/402613608.db2.gz FTCKABRXNYFMGX-LBPRGKRZSA-N 0 3 324.371 2.499 20 30 DEEDHN Cn1cc(CNC[C@@H](c2ccccc2)N2CCOCC2)cc1C#N ZINC000190719480 402619887 /nfs/dbraw/zinc/61/98/87/402619887.db2.gz GIRKGXDHYYFRGQ-IBGZPJMESA-N 0 3 324.428 2.060 20 30 DEEDHN Cc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1C ZINC000180876028 402628567 /nfs/dbraw/zinc/62/85/67/402628567.db2.gz VMCNYMDDAIALHD-DNZUHHBVSA-N 0 3 313.401 2.480 20 30 DEEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1 ZINC000181521835 402647833 /nfs/dbraw/zinc/64/78/33/402647833.db2.gz DQNCSLSWJAKUGS-CVEARBPZSA-N 0 3 312.417 2.424 20 30 DEEDHN CC[C@H](C#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000172286114 402647926 /nfs/dbraw/zinc/64/79/26/402647926.db2.gz BQXMZOMVOLEKQC-MRXNPFEDSA-N 0 3 314.433 2.007 20 30 DEEDHN CN(C(=O)/C=C\c1ccc(OCC#N)cc1)[C@H]1CCCN(C)C1 ZINC000255057553 402676874 /nfs/dbraw/zinc/67/68/74/402676874.db2.gz KQBQHKYIALNCQV-BJIFSAINSA-N 0 3 313.401 2.155 20 30 DEEDHN CO[C@@H](C)[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191702093 402687043 /nfs/dbraw/zinc/68/70/43/402687043.db2.gz FGZKMUKQGOZBGO-XEZPLFJOSA-N 0 3 301.390 2.067 20 30 DEEDHN C=CCc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc(OC)c1OC ZINC000262789814 402731854 /nfs/dbraw/zinc/73/18/54/402731854.db2.gz NASIGMJMLRYNHH-OLZOCXBDSA-N 0 3 318.417 2.255 20 30 DEEDHN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000183330663 402757268 /nfs/dbraw/zinc/75/72/68/402757268.db2.gz GAZKCELTMZLXCF-PBHICJAKSA-N 0 3 317.433 2.386 20 30 DEEDHN N#CCCCOc1cccc(CN[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000174932198 402764414 /nfs/dbraw/zinc/76/44/14/402764414.db2.gz UADSDMOAIXBAAM-HNNXBMFYSA-N 0 3 313.401 2.222 20 30 DEEDHN N#CC(CCN(CCO)CCO)(c1ccccc1)c1ccccc1 ZINC000175911707 402841975 /nfs/dbraw/zinc/84/19/75/402841975.db2.gz NJCMNLSJERUHIT-UHFFFAOYSA-N 0 3 324.424 2.173 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000176040251 402849682 /nfs/dbraw/zinc/84/96/82/402849682.db2.gz GRYKEKUAVFSKEY-CQSZACIVSA-N 0 3 303.431 2.468 20 30 DEEDHN CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)N1CCOCC1 ZINC000278356515 402863816 /nfs/dbraw/zinc/86/38/16/402863816.db2.gz BDBMVLJOMXLKKS-DLBZAZTESA-N 0 3 315.417 2.236 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C#N ZINC000278566336 402868100 /nfs/dbraw/zinc/86/81/00/402868100.db2.gz QKJREOAFLKBGLF-UHFFFAOYSA-N 0 3 312.417 2.388 20 30 DEEDHN CS[C@H]1CN(c2snc(Cl)c2C#N)C[C@H]1N(C)C ZINC000271422827 402869556 /nfs/dbraw/zinc/86/95/56/402869556.db2.gz VHHYMYUZSJWDAF-BDAKNGLRSA-N 0 3 302.856 2.150 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(CC)c2C)CC1 ZINC000264471424 402882000 /nfs/dbraw/zinc/88/20/00/402882000.db2.gz JBZDJTDBMXVIQR-UHFFFAOYSA-N 0 3 304.438 2.290 20 30 DEEDHN C#CCSCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000265774462 402948164 /nfs/dbraw/zinc/94/81/64/402948164.db2.gz MSNVGCFWRAOUQI-UHFFFAOYSA-N 0 3 315.398 2.261 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000279177833 402912925 /nfs/dbraw/zinc/91/29/25/402912925.db2.gz SAGCNXXBMGYAKA-JYJNAYRXSA-N 0 3 316.449 2.126 20 30 DEEDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000265441736 402919048 /nfs/dbraw/zinc/91/90/48/402919048.db2.gz QHRPVYDNEKAUQN-ZDUSSCGKSA-N 0 3 309.797 2.147 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)C[C@@H]1N(C)C ZINC000272321189 402923169 /nfs/dbraw/zinc/92/31/69/402923169.db2.gz IKNZZHTXGONVJQ-LSDHHAIUSA-N 0 3 318.446 2.262 20 30 DEEDHN Cc1noc(C)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279263692 402923543 /nfs/dbraw/zinc/92/35/43/402923543.db2.gz IKXZMJMCDRLTNF-OAHLLOKOSA-N 0 3 308.341 2.162 20 30 DEEDHN COC[C@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272385381 402930616 /nfs/dbraw/zinc/93/06/16/402930616.db2.gz WRKMDDCNKGMULH-DOTOQJQBSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCCS(=O)(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272400658 402932435 /nfs/dbraw/zinc/93/24/35/402932435.db2.gz KELCDYKEWXTLKF-RDJZCZTQSA-N 0 3 322.474 2.393 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280592798 403016669 /nfs/dbraw/zinc/01/66/69/403016669.db2.gz FCDFBPYCHNYLKK-CRAIPNDOSA-N 0 3 324.428 2.089 20 30 DEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000280650395 403023160 /nfs/dbraw/zinc/02/31/60/403023160.db2.gz ZCLZVZYLWARIDR-MSOLQXFVSA-N 0 3 323.396 2.140 20 30 DEEDHN CC[C@H](CSC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280263509 402981663 /nfs/dbraw/zinc/98/16/63/402981663.db2.gz XUWNTKDCTMYUPI-LSDHHAIUSA-N 0 3 301.415 2.498 20 30 DEEDHN N#Cc1ccc(CNCCc2cn3c(n2)SCC3)c(F)c1 ZINC000274250593 403039010 /nfs/dbraw/zinc/03/90/10/403039010.db2.gz JVXYUWLAJQIYCV-UHFFFAOYSA-N 0 3 302.378 2.332 20 30 DEEDHN C=CCN1CCC(NC(=O)C(C)(C)c2c(C)noc2C)CC1 ZINC000280905533 403048758 /nfs/dbraw/zinc/04/87/58/403048758.db2.gz WFUKZYCMKYGUIB-UHFFFAOYSA-N 0 3 305.422 2.336 20 30 DEEDHN CC1CCN(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280965474 403054810 /nfs/dbraw/zinc/05/48/10/403054810.db2.gz YPGJDFOOFVCCPX-GOSISDBHSA-N 0 3 324.428 2.089 20 30 DEEDHN CC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCCO1 ZINC000281047866 403057631 /nfs/dbraw/zinc/05/76/31/403057631.db2.gz GDVZUCUKWSOLCU-SJORKVTESA-N 0 3 311.385 2.268 20 30 DEEDHN COC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281609276 403074336 /nfs/dbraw/zinc/07/43/36/403074336.db2.gz PCWMYPMUTWINIE-INIZCTEOSA-N 0 3 311.385 2.268 20 30 DEEDHN CC(C)(CCC#N)CNCc1cccc(N2CCOCC2)n1 ZINC000274774284 403086271 /nfs/dbraw/zinc/08/62/71/403086271.db2.gz JGTICBCXIUQPKI-UHFFFAOYSA-N 0 3 302.422 2.338 20 30 DEEDHN C=C(C)CCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000274812401 403090500 /nfs/dbraw/zinc/09/05/00/403090500.db2.gz VPOVGZRGSVEOTP-UHFFFAOYSA-N 0 3 312.417 2.419 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cccc3[nH]ccc32)CC1 ZINC000282068266 403119340 /nfs/dbraw/zinc/11/93/40/403119340.db2.gz HQHGCNVMMOGQSE-UHFFFAOYSA-N 0 3 309.413 2.172 20 30 DEEDHN Cn1nccc1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000276330230 403164852 /nfs/dbraw/zinc/16/48/52/403164852.db2.gz QWDJSRBSABPZNH-UHFFFAOYSA-N 0 3 323.444 2.042 20 30 DEEDHN CC(C)[C@H](CNCc1ccc(C#N)cc1F)N1CCN(C)CC1 ZINC000269405967 403136890 /nfs/dbraw/zinc/13/68/90/403136890.db2.gz HNLVMAICGIWGEX-SFHVURJKSA-N 0 3 318.440 2.059 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000283749409 403220377 /nfs/dbraw/zinc/22/03/77/403220377.db2.gz KSBITCUNBDXQAR-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CCCCO)C(C)C ZINC000276446305 403176242 /nfs/dbraw/zinc/17/62/42/403176242.db2.gz LDXRXCOAAYHRBS-MRXNPFEDSA-N 0 3 311.470 2.099 20 30 DEEDHN N#Cc1cccc(OCCCN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000270490590 403195749 /nfs/dbraw/zinc/19/57/49/403195749.db2.gz ASQHHFCLYOOEFR-MRXNPFEDSA-N 0 3 313.401 2.024 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(CC)CCC)C(C)C ZINC000284090148 403244195 /nfs/dbraw/zinc/24/41/95/403244195.db2.gz PCIDJGFEJSGFHD-INIZCTEOSA-N 0 3 323.481 2.060 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)OCC(F)(F)F)n1 ZINC000271183136 403274602 /nfs/dbraw/zinc/27/46/02/403274602.db2.gz WFZHKFYSZRXZIG-ZCFIWIBFSA-N 0 3 322.264 2.032 20 30 DEEDHN COc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1C#N ZINC000271189043 403275564 /nfs/dbraw/zinc/27/55/64/403275564.db2.gz GFAMJYYBCIIYCZ-KRWDZBQOSA-N 0 3 314.360 2.399 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(O)(COC)CC2)cc1 ZINC000271204878 403278784 /nfs/dbraw/zinc/27/87/84/403278784.db2.gz VVYQBIYARNLXMG-UHFFFAOYSA-N 0 3 303.402 2.062 20 30 DEEDHN C=CCc1ccc(OC[C@@H](O)CN(C)C[C@@H](C)OC)c(OC)c1 ZINC000285711710 403363146 /nfs/dbraw/zinc/36/31/46/403363146.db2.gz OXDMGMVIZXLMOY-ZBFHGGJFSA-N 0 3 323.433 2.130 20 30 DEEDHN CCC[C@@]1(CO)CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331285205 403369467 /nfs/dbraw/zinc/36/94/67/403369467.db2.gz GJBSQJAUJSNLLG-SFHVURJKSA-N 0 3 321.465 2.298 20 30 DEEDHN Cc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)cc(C#N)n1 ZINC000342850187 403371018 /nfs/dbraw/zinc/37/10/18/403371018.db2.gz LVTQAYLWDIURIV-LJQANCHMSA-N 0 3 322.412 2.440 20 30 DEEDHN CC(C)CN1CCO[C@H](CNCc2ccc(C#N)cc2F)C1 ZINC000342860394 403375592 /nfs/dbraw/zinc/37/55/92/403375592.db2.gz IYQQCRPOMJZVBO-MRXNPFEDSA-N 0 3 305.397 2.144 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000285775784 403377345 /nfs/dbraw/zinc/37/73/45/403377345.db2.gz UHIFOBKULPYWIB-ZUZCIYMTSA-N 0 3 303.793 2.424 20 30 DEEDHN CCOC[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000298551498 403411518 /nfs/dbraw/zinc/41/15/18/403411518.db2.gz ODZCHCYJCUJHBQ-IAGOWNOFSA-N 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/nfs/dbraw/zinc/61/52/08/403615208.db2.gz YHXSQHZUFRZTFZ-ZWNOBZJWSA-N 0 3 302.765 2.439 20 30 DEEDHN CN1CCC[C@@H](N2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301291662 403611668 /nfs/dbraw/zinc/61/16/68/403611668.db2.gz NWOPJKLTCGWUDX-MRXNPFEDSA-N 0 3 318.852 2.428 20 30 DEEDHN N#CCc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000343520842 403621604 /nfs/dbraw/zinc/62/16/04/403621604.db2.gz DWDLORIGDBCWRQ-UHFFFAOYSA-N 0 3 313.445 2.297 20 30 DEEDHN C=C[C@H](CC(=O)N1CCCN([C@H](C)CO)CC1)c1ccccc1 ZINC000347132163 403617989 /nfs/dbraw/zinc/61/79/89/403617989.db2.gz MRMDKGSYDZSRDB-IAGOWNOFSA-N 0 3 316.445 2.261 20 30 DEEDHN CN(CCC(C)(C)C#N)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000347219108 403625930 /nfs/dbraw/zinc/62/59/30/403625930.db2.gz CQTSMUYAGVRBAC-CABCVRRESA-N 0 3 319.428 2.261 20 30 DEEDHN COc1cc(C#N)ccc1CN1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000343635793 403672071 /nfs/dbraw/zinc/67/20/71/403672071.db2.gz ALDCVCSLXBQZML-GOEBONIOSA-N 0 3 305.447 2.044 20 30 DEEDHN C=CCOc1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000288465336 403754718 /nfs/dbraw/zinc/75/47/18/403754718.db2.gz PBHLHWWZLMPZDN-UHFFFAOYSA-N 0 3 315.417 2.313 20 30 DEEDHN CCN(CC)C(=O)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354466627 403817317 /nfs/dbraw/zinc/81/73/17/403817317.db2.gz NCBZAWDKWLHMGA-HNNXBMFYSA-N 0 3 322.368 2.449 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccncn1 ZINC000354476288 403826233 /nfs/dbraw/zinc/82/62/33/403826233.db2.gz ZCXVZAVHQHHCQQ-SNVBAGLBSA-N 0 3 310.338 2.011 20 30 DEEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000295389391 403897668 /nfs/dbraw/zinc/89/76/68/403897668.db2.gz HLUDNJOIDOIAIG-ROUUACIJSA-N 0 3 316.445 2.309 20 30 DEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000354607655 403902664 /nfs/dbraw/zinc/90/26/64/403902664.db2.gz RACXHZVFEJAGEM-UKRRQHHQSA-N 0 3 321.446 2.052 20 30 DEEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H](C)C#N)cc1 ZINC000354615154 403906786 /nfs/dbraw/zinc/90/67/86/403906786.db2.gz SNUIZPNUBFMOQI-XJKSGUPXSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000361886867 403908671 /nfs/dbraw/zinc/90/86/71/403908671.db2.gz BDTJOUXUXDGBGX-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C[C@H]1[C@H](NC(=O)c2ccc(C#N)cn2)CCN1Cc1ccccc1 ZINC000310144957 403965757 /nfs/dbraw/zinc/96/57/57/403965757.db2.gz DDUFMCJCFXAUJG-WMLDXEAASA-N 0 3 320.396 2.346 20 30 DEEDHN C=CCN(CCOC)C(=O)Nc1ccccc1CCN(C)C ZINC000362049771 403921805 /nfs/dbraw/zinc/92/18/05/403921805.db2.gz ZHVWBIOAXPWWQI-UHFFFAOYSA-N 0 3 305.422 2.457 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000411649937 403925359 /nfs/dbraw/zinc/92/53/59/403925359.db2.gz SICPGCPHJOHVHM-UHFFFAOYSA-N 0 3 317.393 2.411 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1noc(-c2cncc(C)c2)n1 ZINC000411652191 403925514 /nfs/dbraw/zinc/92/55/14/403925514.db2.gz WQQZZZLNWIYGAQ-UHFFFAOYSA-N 0 3 315.421 2.380 20 30 DEEDHN C[C@@H](O)[C@@H]1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000305881975 403949192 /nfs/dbraw/zinc/94/91/92/403949192.db2.gz 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/nfs/dbraw/zinc/09/17/67/404091767.db2.gz VTENVOCWSMNHCB-TZMCWYRMSA-N 0 3 319.380 2.276 20 30 DEEDHN C#CCCCc1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000290095189 404037526 /nfs/dbraw/zinc/03/75/26/404037526.db2.gz NALYSFLVGOPFDM-UHFFFAOYSA-N 0 3 300.362 2.028 20 30 DEEDHN COC1([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)CCC1 ZINC000412020696 404059806 /nfs/dbraw/zinc/05/98/06/404059806.db2.gz LSAYIFBVDXMACN-AWEZNQCLSA-N 0 3 307.438 2.218 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000348356723 404062615 /nfs/dbraw/zinc/06/26/15/404062615.db2.gz YKCNSLRNCBLBRV-ULQDDVLXSA-N 0 3 311.385 2.314 20 30 DEEDHN C=CCc1cc(CN(C)CCOCCOC)cc(OC)c1O ZINC000290281955 404109980 /nfs/dbraw/zinc/10/99/80/404109980.db2.gz ZEZRKFFWYMLOTK-UHFFFAOYSA-N 0 3 309.406 2.224 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000363672303 404216809 /nfs/dbraw/zinc/21/68/09/404216809.db2.gz MPRXTTKUXSCDNK-DOTOQJQBSA-N 0 3 322.474 2.012 20 30 DEEDHN CN1C[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](c2ccccc2)C1 ZINC000329062577 404216850 /nfs/dbraw/zinc/21/68/50/404216850.db2.gz ZOUIQEXQQANXOI-ZACQAIPSSA-N 0 3 324.428 2.500 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296382568 404222099 /nfs/dbraw/zinc/22/20/99/404222099.db2.gz TWEPWZGZJDWBJY-MRVWCRGKSA-N 0 3 317.414 2.105 20 30 DEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC000328874254 404165436 /nfs/dbraw/zinc/16/54/36/404165436.db2.gz FMWCUOTVKUYNKG-GJZGRUSLSA-N 0 3 309.454 2.464 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H](O)[C@H]2CCOC2)ccc1OC ZINC000344479502 404168975 /nfs/dbraw/zinc/16/89/75/404168975.db2.gz KZBQKPPSRCBPJT-JKSUJKDBSA-N 0 3 321.417 2.137 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000344594611 404248817 /nfs/dbraw/zinc/24/88/17/404248817.db2.gz NQCQMOOBRKKVLE-YJBOKZPZSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(c3cccc(OC)c3)CC2)CC1 ZINC000352261099 404251670 /nfs/dbraw/zinc/25/16/70/404251670.db2.gz KBCAKSITZRNBAS-UHFFFAOYSA-N 0 3 314.429 2.493 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)c2ccccn2)CC1 ZINC000296460511 404258241 /nfs/dbraw/zinc/25/82/41/404258241.db2.gz PQBXROARKSUMAQ-UHFFFAOYSA-N 0 3 316.449 2.309 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000329196934 404261122 /nfs/dbraw/zinc/26/11/22/404261122.db2.gz UZKMNKVTVTXXJJ-LSDHHAIUSA-N 0 3 317.437 2.276 20 30 DEEDHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC2=CCN(C)CC2)C1 ZINC000329217559 404268250 /nfs/dbraw/zinc/26/82/50/404268250.db2.gz QJMIZGBSQNFYJM-GOEBONIOSA-N 0 3 321.465 2.490 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000290579419 404226240 /nfs/dbraw/zinc/22/62/40/404226240.db2.gz SLJDOEZYVIDZLG-LESCRADOSA-N 0 3 302.418 2.093 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000290579420 404226350 /nfs/dbraw/zinc/22/63/50/404226350.db2.gz SLJDOEZYVIDZLG-ZVZYQTTQSA-N 0 3 302.418 2.093 20 30 DEEDHN CC(C)Oc1ccc(NC(=O)N[C@H](C)CN(C)C)cc1C#N ZINC000350162252 404338238 /nfs/dbraw/zinc/33/82/38/404338238.db2.gz VKLCHNKIWWLFHS-GFCCVEGCSA-N 0 3 304.394 2.417 20 30 DEEDHN CC(=O)N1CC[C@H](NCCNC(=O)C2CC2)c2ccccc2C1 ZINC000329460497 404342143 /nfs/dbraw/zinc/34/21/43/404342143.db2.gz SCXOKAVUYJFVBB-KRWDZBQOSA-N 0 3 315.417 2.436 20 30 DEEDHN C[C@H](C#N)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000352415068 404354227 /nfs/dbraw/zinc/35/42/27/404354227.db2.gz WETUBKIAXXYVSD-CQSZACIVSA-N 0 3 321.446 2.004 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(C3CC3)C[C@@H]1C)C2 ZINC000329495343 404355605 /nfs/dbraw/zinc/35/56/05/404355605.db2.gz FQGOLVKWULQUHU-DETPVDSQSA-N 0 3 302.422 2.193 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344686639 404306109 /nfs/dbraw/zinc/30/61/09/404306109.db2.gz BLNOYCHDBSSDND-UAGQMJEPSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000296564124 404307950 /nfs/dbraw/zinc/30/79/50/404307950.db2.gz XCSCICQOSYWJJV-CYBMUJFWSA-N 0 3 307.463 2.242 20 30 DEEDHN CC(C)CCn1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)nn1 ZINC000329353445 404310864 /nfs/dbraw/zinc/31/08/64/404310864.db2.gz UZJHZDBYGFXRKC-ZDUSSCGKSA-N 0 3 305.426 2.279 20 30 DEEDHN CN(C)[C@@]1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CCSC1 ZINC000290790576 404313832 /nfs/dbraw/zinc/31/38/32/404313832.db2.gz OHJYZAUZLFPZPA-CQSZACIVSA-N 0 3 306.391 2.316 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000296788269 404321718 /nfs/dbraw/zinc/32/17/18/404321718.db2.gz HJBYTDRATRXDEO-CQSZACIVSA-N 0 3 305.397 2.483 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616200 404394652 /nfs/dbraw/zinc/39/46/52/404394652.db2.gz LIEBIZSSMRSVHV-OCCSQVGLSA-N 0 3 317.437 2.402 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000356197111 404399162 /nfs/dbraw/zinc/39/91/62/404399162.db2.gz CUSBEFFLWPUHDO-XUJVJEKNSA-N 0 3 317.364 2.154 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342147086 404399449 /nfs/dbraw/zinc/39/94/49/404399449.db2.gz DGUPCNJDZBEVBX-QAPCUYQASA-N 0 3 322.449 2.076 20 30 DEEDHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329674115 404417968 /nfs/dbraw/zinc/41/79/68/404417968.db2.gz VGCWTFFYOQKVPO-OSRDXIQISA-N 0 3 323.437 2.281 20 30 DEEDHN CCc1cnc(CNC(=O)[C@H]2CCCN2C2CCOCC2)o1 ZINC000329927075 404496359 /nfs/dbraw/zinc/49/63/59/404496359.db2.gz LHVXHIHKDKIWDQ-CQSZACIVSA-N 0 3 307.394 2.337 20 30 DEEDHN CC(C)(C)n1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)nn1 ZINC000329957976 404507096 /nfs/dbraw/zinc/50/70/96/404507096.db2.gz PRMFZMUSNYQAIR-ZDUSSCGKSA-N 0 3 305.426 2.355 20 30 DEEDHN CN1CCC(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000291764423 404511252 /nfs/dbraw/zinc/51/12/52/404511252.db2.gz VWHCASZASITDIB-LJQANCHMSA-N 0 3 311.429 2.286 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000329983286 404515074 /nfs/dbraw/zinc/51/50/74/404515074.db2.gz AZOMBQVHPACXHY-MEBBXXQBSA-N 0 3 301.390 2.452 20 30 DEEDHN C[C@]1(O)CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000329994355 404519391 /nfs/dbraw/zinc/51/93/91/404519391.db2.gz ZDWATZAOFAAUOE-WBVHZDCISA-N 0 3 309.454 2.154 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)N(C)C1CC1 ZINC000329718469 404432945 /nfs/dbraw/zinc/43/29/45/404432945.db2.gz YVQGCHYLNUDSCB-XBVQOTNRSA-N 0 3 323.481 2.399 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCCc2cccc(C#N)c2)CCC1 ZINC000342203022 404439818 /nfs/dbraw/zinc/43/98/18/404439818.db2.gz FCWGCBCUIOHPKE-UHFFFAOYSA-N 0 3 314.433 2.226 20 30 DEEDHN Cc1onc(CC(=O)Nc2ccc(CN(C)C)cc2F)c1C#N ZINC000413937363 404448152 /nfs/dbraw/zinc/44/81/52/404448152.db2.gz ISTTYIGWBFNTGF-UHFFFAOYSA-N 0 3 316.336 2.237 20 30 DEEDHN C[C@@H]1OCC[C@]1(C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000330203602 404584900 /nfs/dbraw/zinc/58/49/00/404584900.db2.gz AYIGLXVHJAFULK-OWQGQXMQSA-N 0 3 313.401 2.211 20 30 DEEDHN CC(C)[C@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)N(C)C ZINC000342462309 404591488 /nfs/dbraw/zinc/59/14/88/404591488.db2.gz NKFMYFNJXKNXEI-IAGOWNOFSA-N 0 3 315.417 2.044 20 30 DEEDHN O=C(NCCc1cnc(C2CC2)nc1)[C@H]1CCCN1C1CC1 ZINC000330226421 404593601 /nfs/dbraw/zinc/59/36/01/404593601.db2.gz OTZNSZSRKHABKU-OAHLLOKOSA-N 0 3 300.406 2.480 20 30 DEEDHN C=CCn1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)nn1 ZINC000351314068 404551536 /nfs/dbraw/zinc/55/15/36/404551536.db2.gz AUDFQQHRXMMXRF-UHFFFAOYSA-N 0 3 310.361 2.243 20 30 DEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000330124284 404558465 /nfs/dbraw/zinc/55/84/65/404558465.db2.gz HZDLPLOMTYEKNC-BRWVUGGUSA-N 0 3 321.465 2.464 20 30 DEEDHN CCCCCCCN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000365129930 404561207 /nfs/dbraw/zinc/56/12/07/404561207.db2.gz ABDBQNHLXKXJKJ-HNNXBMFYSA-N 0 3 302.484 2.457 20 30 DEEDHN CC(C)(C)[C@H]1CCCN(CC(=O)NCC(=O)N2CCCC2)C1 ZINC000330138575 404563861 /nfs/dbraw/zinc/56/38/61/404563861.db2.gz VPNVGBXYSVOWOY-AWEZNQCLSA-N 0 3 309.454 2.323 20 30 DEEDHN Cc1nnccc1NC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000330146049 404564617 /nfs/dbraw/zinc/56/46/17/404564617.db2.gz HSWQXLQZXRORSG-RISCZKNCSA-N 0 3 300.366 2.110 20 30 DEEDHN O=C(N[C@H]1CCc2c1cccc2O)N[C@@H]1CCn2ccnc2C1 ZINC000330235752 404595346 /nfs/dbraw/zinc/59/53/46/404595346.db2.gz HAZLQLQCEACPQV-RISCZKNCSA-N 0 3 312.373 2.095 20 30 DEEDHN CN1CCC2(CCCN2C(=O)NCc2ccc(C#N)s2)CC1 ZINC000567489399 292318060 /nfs/dbraw/zinc/31/80/60/292318060.db2.gz QFAVYINNIPNSAW-UHFFFAOYSA-N 0 3 318.446 2.390 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000414495759 404656311 /nfs/dbraw/zinc/65/63/11/404656311.db2.gz HMVDUBRUTNVDOT-MRXNPFEDSA-N 0 3 315.417 2.279 20 30 DEEDHN C=CCc1cc(CN2CC[C@H](C(=O)N(C)C)C2)cc(OC)c1O ZINC000414496617 404657812 /nfs/dbraw/zinc/65/78/12/404657812.db2.gz JASPIUDQOWAALR-HNNXBMFYSA-N 0 3 318.417 2.039 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000345237330 404629864 /nfs/dbraw/zinc/62/98/64/404629864.db2.gz NOAFHAORPFPMNB-IAQYHMDHSA-N 0 3 300.337 2.267 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000352804609 404634687 /nfs/dbraw/zinc/63/46/87/404634687.db2.gz MCDLNURKQKYTKL-WMLDXEAASA-N 0 3 300.402 2.418 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000352895639 404685676 /nfs/dbraw/zinc/68/56/76/404685676.db2.gz DWVNDIFWXKYMOI-PMPSAXMXSA-N 0 3 309.454 2.010 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330568920 404690095 /nfs/dbraw/zinc/69/00/95/404690095.db2.gz LYCSAZWZVWRZKJ-GJZGRUSLSA-N 0 3 314.433 2.301 20 30 DEEDHN C=CCc1cc(CN2CCNC[C@](C)(F)C2)cc(OC)c1O ZINC000414768842 404728837 /nfs/dbraw/zinc/72/88/37/404728837.db2.gz MJDXRAYEPOSOHQ-KRWDZBQOSA-N 0 3 308.397 2.263 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N(C)CCN2CCCC2)cc1 ZINC000357154123 404729199 /nfs/dbraw/zinc/72/91/99/404729199.db2.gz HZSKSELYRKUBGZ-UHFFFAOYSA-N 0 3 317.433 2.489 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](O)C1)C(C)C ZINC000357567556 404737994 /nfs/dbraw/zinc/73/79/94/404737994.db2.gz ILUQOBHOCAWEIG-ZACQAIPSSA-N 0 3 323.481 2.097 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000357795120 404743855 /nfs/dbraw/zinc/74/38/55/404743855.db2.gz JICHHXIIWPLQFT-UKRRQHHQSA-N 0 3 314.389 2.349 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000357809307 404744641 /nfs/dbraw/zinc/74/46/41/404744641.db2.gz RGZZSZOFTWWNJR-LBPRGKRZSA-N 0 3 300.362 2.090 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000357021600 404724331 /nfs/dbraw/zinc/72/43/31/404724331.db2.gz RBWAKPOUODGUOA-LLVKDONJSA-N 0 3 322.206 2.257 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)CCN1CCN(CC)CC1 ZINC000357114445 404727874 /nfs/dbraw/zinc/72/78/74/404727874.db2.gz WIZXAGWWTSFJJE-UHFFFAOYSA-N 0 3 321.490 2.290 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2cnccc2C#N)CN1Cc1ccccc1 ZINC000358859287 404778133 /nfs/dbraw/zinc/77/81/33/404778133.db2.gz WLXNVEQZDRZMNN-WMLDXEAASA-N 0 3 320.396 2.346 20 30 DEEDHN C=CCN(CCOC)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000359262545 404788623 /nfs/dbraw/zinc/78/86/23/404788623.db2.gz NBWQFBUARYCEDW-INIZCTEOSA-N 0 3 319.449 2.351 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000359691766 404802655 /nfs/dbraw/zinc/80/26/55/404802655.db2.gz WSLZRDWYZINHGC-KRWDZBQOSA-N 0 3 320.458 2.419 20 30 DEEDHN COC1CCC(C)(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360601010 404832307 /nfs/dbraw/zinc/83/23/07/404832307.db2.gz WNYXQHBJKUROKU-PQUAAJSLSA-N 0 3 315.417 2.270 20 30 DEEDHN COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(Cl)c(F)c1 ZINC000434434432 404897229 /nfs/dbraw/zinc/89/72/29/404897229.db2.gz HVJJRPVAUFUBAF-PELKAZGASA-N 0 3 312.728 2.359 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000353492539 404846237 /nfs/dbraw/zinc/84/62/37/404846237.db2.gz LXFVTWUKEMHJJN-LJQANCHMSA-N 0 3 321.509 2.465 20 30 DEEDHN COC[C@]1(CN[C@@H]2CC[C@H](C#N)C2)OCCc2ccccc21 ZINC000353581539 404870919 /nfs/dbraw/zinc/87/09/19/404870919.db2.gz ZSXKDWUKXHYXCU-LESCRADOSA-N 0 3 300.402 2.383 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000367179266 404956773 /nfs/dbraw/zinc/95/67/73/404956773.db2.gz FOSQUPKQLSEKLQ-MRXNPFEDSA-N 0 3 308.447 2.004 20 30 DEEDHN C=CCC[C@@H](NCC1CN(S(=O)(=O)CC)C1)c1ccco1 ZINC000353677699 404915807 /nfs/dbraw/zinc/91/58/07/404915807.db2.gz ZBYKONMGETZJIX-CQSZACIVSA-N 0 3 312.435 2.158 20 30 DEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCCCCO ZINC000434685481 404923889 /nfs/dbraw/zinc/92/38/89/404923889.db2.gz OIUUNKLVTFHERR-UPTPFMHGSA-N 0 3 323.481 2.400 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H]2CC[C@H](CO)O2)ccc1OC ZINC000353717325 404938216 /nfs/dbraw/zinc/93/82/16/404938216.db2.gz MQFQKLXCOFKSIT-HZPDHXFCSA-N 0 3 321.417 2.280 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424014067 404971352 /nfs/dbraw/zinc/97/13/52/404971352.db2.gz TZCXFFXXLRJDKH-VBNZEHGJSA-N 0 3 306.381 2.060 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000451319674 404952598 /nfs/dbraw/zinc/95/25/98/404952598.db2.gz HYNNGXGPHPECAO-INIZCTEOSA-N 0 3 322.412 2.447 20 30 DEEDHN CO[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424123245 405014045 /nfs/dbraw/zinc/01/40/45/405014045.db2.gz KPIDSPUORPFXEN-UONOGXRCSA-N 0 3 309.797 2.165 20 30 DEEDHN CC(C)COc1ccc(CCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424134001 405016539 /nfs/dbraw/zinc/01/65/39/405016539.db2.gz HJRVELPFHRDNIV-QGZVFWFLSA-N 0 3 317.433 2.401 20 30 DEEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000424142458 405019570 /nfs/dbraw/zinc/01/95/70/405019570.db2.gz IGISFVXKWCJTIJ-SJORKVTESA-N 0 3 314.433 2.135 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(-n2ccnc2)c1 ZINC000424141590 405020365 /nfs/dbraw/zinc/02/03/65/405020365.db2.gz GQDSEYKPRSQIGL-CJNGLKHVSA-N 0 3 311.389 2.071 20 30 DEEDHN COc1ccccc1C[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424143775 405020814 /nfs/dbraw/zinc/02/08/14/405020814.db2.gz RKSJQKWIDPYKLC-UKRRQHHQSA-N 0 3 303.406 2.106 20 30 DEEDHN COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424143774 405021107 /nfs/dbraw/zinc/02/11/07/405021107.db2.gz RKSJQKWIDPYKLC-HIFRSBDPSA-N 0 3 303.406 2.106 20 30 DEEDHN CCCCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCC#N)C1(C)C ZINC000424147697 405023117 /nfs/dbraw/zinc/02/31/17/405023117.db2.gz DAAKYKPGYPNHEK-QLFBSQMISA-N 0 3 309.454 2.450 20 30 DEEDHN Cc1cnn(-c2ccc(C)cc2NC(=O)[C@H](N)CCCC#N)c1 ZINC000424164107 405026922 /nfs/dbraw/zinc/02/69/22/405026922.db2.gz BSRCNWDDVVLKCK-CQSZACIVSA-N 0 3 311.389 2.449 20 30 DEEDHN C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000379646294 405027963 /nfs/dbraw/zinc/02/79/63/405027963.db2.gz FDOVMRWPUJGKHD-GOEBONIOSA-N 0 3 307.401 2.235 20 30 DEEDHN CC(C)Cn1cc(NC(=O)[C@H](N)CCCC#N)c(C(F)F)n1 ZINC000424171926 405028402 /nfs/dbraw/zinc/02/84/02/405028402.db2.gz MSZRKTQWUFBUNC-SNVBAGLBSA-N 0 3 313.352 2.436 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000451427289 404991781 /nfs/dbraw/zinc/99/17/81/404991781.db2.gz VMPMRAPOTUCQOE-BBWFWOEESA-N 0 3 313.401 2.122 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCCSc1ccc(F)cc1 ZINC000424077323 404996857 /nfs/dbraw/zinc/99/68/57/404996857.db2.gz NSXQNNHLJIZDOR-CQSZACIVSA-N 0 3 309.410 2.445 20 30 DEEDHN C[C@@H](C#N)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435636102 405000190 /nfs/dbraw/zinc/00/01/90/405000190.db2.gz KDAKFDTWPKJXRA-HOCLYGCPSA-N 0 3 323.400 2.428 20 30 DEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1Cl ZINC000424084685 405000354 /nfs/dbraw/zinc/00/03/54/405000354.db2.gz FFKVKDMWVORJQL-WCQYABFASA-N 0 3 309.797 2.245 20 30 DEEDHN CCN1C[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000408047632 405098103 /nfs/dbraw/zinc/09/81/03/405098103.db2.gz RJVKERCREOEMAE-HZPDHXFCSA-N 0 3 320.481 2.086 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC1(Cc2ccccc2)CCOCC1 ZINC000451932893 405098814 /nfs/dbraw/zinc/09/88/14/405098814.db2.gz BBIGWKFPAAADFT-HNNXBMFYSA-N 0 3 302.418 2.059 20 30 DEEDHN CO[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000361369074 405041454 /nfs/dbraw/zinc/04/14/54/405041454.db2.gz HOCXKKLSRXBRLR-CYBMUJFWSA-N 0 3 307.781 2.261 20 30 DEEDHN N#Cc1ccccc1OCCN1CCC(O[C@H]2CCOC2)CC1 ZINC000361435238 405074323 /nfs/dbraw/zinc/07/43/23/405074323.db2.gz SGWGVNSBMHQIQE-KRWDZBQOSA-N 0 3 316.401 2.207 20 30 DEEDHN N#Cc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000361452631 405080783 /nfs/dbraw/zinc/08/07/83/405080783.db2.gz SYSJYZKIYAUDRJ-UHFFFAOYSA-N 0 3 307.357 2.177 20 30 DEEDHN C[C@H](C#N)S(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000416396643 405129423 /nfs/dbraw/zinc/12/94/23/405129423.db2.gz DITRSVYLOLOREV-ZIAGYGMSSA-N 0 3 321.446 2.043 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000452024687 405130273 /nfs/dbraw/zinc/13/02/73/405130273.db2.gz RWQCNMQWJCAKOD-ZIAGYGMSSA-N 0 3 305.378 2.254 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416349840 405115056 /nfs/dbraw/zinc/11/50/56/405115056.db2.gz HGIXKFJPKBOWOS-LSDHHAIUSA-N 0 3 321.371 2.215 20 30 DEEDHN C=CCN(CCOC)Cc1ccccc1N1CCN(CC)CC1 ZINC000361643036 405178532 /nfs/dbraw/zinc/17/85/32/405178532.db2.gz LFCIUUVAFNDZRG-UHFFFAOYSA-N 0 3 317.477 2.463 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1c(F)cccc1C#N ZINC000354378852 405182778 /nfs/dbraw/zinc/18/27/78/405182778.db2.gz FLHGPGFNOHPHBX-CYBMUJFWSA-N 0 3 317.408 2.429 20 30 DEEDHN N#Cc1cccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367960441 405203784 /nfs/dbraw/zinc/20/37/84/405203784.db2.gz ZLHUZTDJKJMIEO-IAGOWNOFSA-N 0 3 300.402 2.358 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@](C)(O)CCN(C)C)c1ccccc1 ZINC000420010798 405280305 /nfs/dbraw/zinc/28/03/05/405280305.db2.gz HKCGNYCTLQBSQI-CRAIPNDOSA-N 0 3 304.434 2.165 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000438000044 405228222 /nfs/dbraw/zinc/22/82/22/405228222.db2.gz PJARYKQDQRYUNH-HOTGVXAUSA-N 0 3 323.481 2.389 20 30 DEEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453185175 405288414 /nfs/dbraw/zinc/28/84/14/405288414.db2.gz QQEZFFMBNROMLB-HOTGVXAUSA-N 0 3 322.836 2.322 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(CC(F)F)C2)cc1 ZINC000425077298 405244722 /nfs/dbraw/zinc/24/47/22/405244722.db2.gz REJKAVROAAAGPT-AWEZNQCLSA-N 0 3 303.312 2.354 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2scnc2C)CC1 ZINC000454465538 405349337 /nfs/dbraw/zinc/34/93/37/405349337.db2.gz OZUZUHZSICZYQK-UHFFFAOYSA-N 0 3 322.478 2.334 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](OC)C2CC2)CC1 ZINC000454471884 405350536 /nfs/dbraw/zinc/35/05/36/405350536.db2.gz ZZZAGPIJQQKTNT-CJNGLKHVSA-N 0 3 309.454 2.140 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COCC(F)(F)F ZINC000425540191 405300111 /nfs/dbraw/zinc/30/01/11/405300111.db2.gz VCXAPCLFKUINKA-RISCZKNCSA-N 0 3 316.323 2.491 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COCC(F)(F)F ZINC000425540189 405300174 /nfs/dbraw/zinc/30/01/74/405300174.db2.gz VCXAPCLFKUINKA-BXUZGUMPSA-N 0 3 316.323 2.491 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000425609246 405306489 /nfs/dbraw/zinc/30/64/89/405306489.db2.gz JXYJQIOYKWJYPJ-GVDBMIGSSA-N 0 3 312.417 2.252 20 30 DEEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CCCN1C ZINC000420994023 405422859 /nfs/dbraw/zinc/42/28/59/405422859.db2.gz BQXXPBHJJFQJOZ-AWEZNQCLSA-N 0 3 320.824 2.176 20 30 DEEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N(CCC#N)CCC#N ZINC000445879718 405360615 /nfs/dbraw/zinc/36/06/15/405360615.db2.gz IFDOUNSDHAQEQZ-GFCCVEGCSA-N 0 3 318.343 2.209 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000448951748 405470545 /nfs/dbraw/zinc/47/05/45/405470545.db2.gz CTHBIMWWELLDGD-ZDUSSCGKSA-N 0 3 310.401 2.445 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCN1CCCC(C)(C)C1 ZINC000556768619 405526932 /nfs/dbraw/zinc/52/69/32/405526932.db2.gz LYZOPNLPXXBLCV-CABCVRRESA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458736487 405565542 /nfs/dbraw/zinc/56/55/42/405565542.db2.gz OJSGZQDIBHYSOH-VYDXJSESSA-N 0 3 321.465 2.093 20 30 DEEDHN N#Cc1cc(F)ccc1NCC(=O)NCCN1CCCCCC1 ZINC000431496617 405633360 /nfs/dbraw/zinc/63/33/60/405633360.db2.gz VEFZGHCNDUNRQS-UHFFFAOYSA-N 0 3 318.396 2.101 20 30 DEEDHN C=CCC[C@H](CO)NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000449699438 405699669 /nfs/dbraw/zinc/69/96/69/405699669.db2.gz QRNWWSGZANYJSY-CYBMUJFWSA-N 0 3 309.479 2.326 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000459043711 405711249 /nfs/dbraw/zinc/71/12/49/405711249.db2.gz PDHQBCQUNRDKPS-IMJJTQAJSA-N 0 3 309.454 2.092 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000457137128 405718288 /nfs/dbraw/zinc/71/82/88/405718288.db2.gz XAEDISMMLDOLSF-LBPRGKRZSA-N 0 3 307.344 2.391 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000459129589 405761491 /nfs/dbraw/zinc/76/14/91/405761491.db2.gz UXFUAPIFTWFCBM-UHFFFAOYSA-N 0 3 318.396 2.323 20 30 DEEDHN N#Cc1ccc(C2([NH2+]Cc3ncccc3[O-])CCOCC2)cc1 ZINC000528782920 405740378 /nfs/dbraw/zinc/74/03/78/405740378.db2.gz KONSVPRQYTVYPV-UHFFFAOYSA-N 0 3 309.369 2.454 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)cc1 ZINC000528920775 405744010 /nfs/dbraw/zinc/74/40/10/405744010.db2.gz UXHXOGNELOLFGD-HNNXBMFYSA-N 0 3 324.340 2.188 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000528916113 405744591 /nfs/dbraw/zinc/74/45/91/405744591.db2.gz FFILDAFNSJEANP-STGWMILLSA-N 0 3 314.385 2.071 20 30 DEEDHN C=CCC1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCCC1 ZINC000459114660 405753806 /nfs/dbraw/zinc/75/38/06/405753806.db2.gz WHMBLLIOXPBLPA-INIZCTEOSA-N 0 3 323.481 2.269 20 30 DEEDHN C[C@H](C#N)CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000561053863 405886523 /nfs/dbraw/zinc/88/65/23/405886523.db2.gz ZQHASETYQYUTTA-MRVPVSSYSA-N 0 3 300.284 2.445 20 30 DEEDHN CC(C#N)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000495266655 405858351 /nfs/dbraw/zinc/85/83/51/405858351.db2.gz UEKGSNPGTNAVFP-ZOBORPQBSA-N 0 3 321.421 2.298 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nncn1C1CC1 ZINC000433341762 405927764 /nfs/dbraw/zinc/92/77/64/405927764.db2.gz HIFXAFQCNTZVJO-CQSZACIVSA-N 0 3 309.373 2.002 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)OCCCF ZINC000495985486 405944029 /nfs/dbraw/zinc/94/40/29/405944029.db2.gz AQUUXTZICWUWPY-UHFFFAOYSA-N 0 3 307.369 2.418 20 30 DEEDHN CC(=NNC1CCN(C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496027268 405945833 /nfs/dbraw/zinc/94/58/33/405945833.db2.gz PIYZEPRFNIFGRD-HNNXBMFYSA-N 0 3 324.469 2.446 20 30 DEEDHN CCN(CCC(=O)OC)C(=O)C(C#N)CCc1ccccc1 ZINC000433303906 405916216 /nfs/dbraw/zinc/91/62/16/405916216.db2.gz MDRBYAOCYYTKJC-OAHLLOKOSA-N 0 3 302.374 2.171 20 30 DEEDHN CC(C)OC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000531163521 405918036 /nfs/dbraw/zinc/91/80/36/405918036.db2.gz DDHRPZDHTZHWCG-MRXNPFEDSA-N 0 3 318.417 2.187 20 30 DEEDHN Cc1c(C#N)c(N2CCCN([C@@H](C)CO)CC2)nc2ccccc12 ZINC000450476396 405919272 /nfs/dbraw/zinc/91/92/72/405919272.db2.gz PJBDRZFQWITFGG-AWEZNQCLSA-N 0 3 324.428 2.308 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1ncc[nH]1)C(C)C ZINC000636575125 406015064 /nfs/dbraw/zinc/01/50/64/406015064.db2.gz VHTLVBBOQNSODX-OAHLLOKOSA-N 0 3 319.453 2.250 20 30 DEEDHN C=C(C)COCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531639634 405989635 /nfs/dbraw/zinc/98/96/35/405989635.db2.gz CYIFLJXAABIVJU-KRWDZBQOSA-N 0 3 317.433 2.003 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000451109450 406053146 /nfs/dbraw/zinc/05/31/46/406053146.db2.gz CNOKKTOAYDFOPA-GFCCVEGCSA-N 0 3 301.390 2.226 20 30 DEEDHN COc1cc(CN2CCC[C@H](CCNC(C)=O)C2)ccc1C#N ZINC000517203262 406123556 /nfs/dbraw/zinc/12/35/56/406123556.db2.gz NIYXILZQRPXZQH-OAHLLOKOSA-N 0 3 315.417 2.305 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1cccc(C#N)n1 ZINC000568085490 406191451 /nfs/dbraw/zinc/19/14/51/406191451.db2.gz HILCPDPCYDJPJK-CQSZACIVSA-N 0 3 301.394 2.339 20 30 DEEDHN CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000568975249 292381263 /nfs/dbraw/zinc/38/12/63/292381263.db2.gz CCMRBNYNGDGAMO-SFHVURJKSA-N 0 3 324.380 2.290 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COC[C@H]1CCCO1 ZINC000521033667 406328214 /nfs/dbraw/zinc/32/82/14/406328214.db2.gz VUXLCAVXWIVBGA-FHLIZLRMSA-N 0 3 318.417 2.108 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639960453 406335525 /nfs/dbraw/zinc/33/55/25/406335525.db2.gz RVRQHUNAIRLYJY-UHFFFAOYSA-N 0 3 302.418 2.392 20 30 DEEDHN CCCn1nccc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000570106582 406347913 /nfs/dbraw/zinc/34/79/13/406347913.db2.gz DZJJFLYLAQFKAW-GFCCVEGCSA-N 0 3 312.377 2.101 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)C#N)C1 ZINC000541949400 406302460 /nfs/dbraw/zinc/30/24/60/406302460.db2.gz XPUOJQFJYLOLFM-FMKPAKJESA-N 0 3 300.406 2.281 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccncc2)CC1 ZINC000489183204 406382417 /nfs/dbraw/zinc/38/24/17/406382417.db2.gz MIJXEPGKYLQVPT-OAHLLOKOSA-N 0 3 316.449 2.352 20 30 DEEDHN CC(C)(C)[C@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000570516263 406404792 /nfs/dbraw/zinc/40/47/92/406404792.db2.gz SLIHAZAPPVXBTJ-HUUCEWRRSA-N 0 3 313.405 2.284 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000489462316 406408644 /nfs/dbraw/zinc/40/86/44/406408644.db2.gz KMXXLUKFIOGYLJ-DZGCQCFKSA-N 0 3 306.362 2.375 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000490649194 406478714 /nfs/dbraw/zinc/47/87/14/406478714.db2.gz FZALWPGVOPGWBU-CZUORRHYSA-N 0 3 318.367 2.282 20 30 DEEDHN CCN1CCN(c2cccc(Nc3cc(C#N)ncn3)c2)CC1 ZINC000571005025 406466133 /nfs/dbraw/zinc/46/61/33/406466133.db2.gz QXPWPUULCPMBGW-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccc3cccnc32)CC1 ZINC000491154292 406534408 /nfs/dbraw/zinc/53/44/08/406534408.db2.gz IAZPXUQYJFHMMV-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC000491255857 406555053 /nfs/dbraw/zinc/55/50/53/406555053.db2.gz YIFYXATTYIQVBZ-KRWDZBQOSA-N 0 3 314.433 2.192 20 30 DEEDHN C=C(C)COc1cccc(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000635483516 406557692 /nfs/dbraw/zinc/55/76/92/406557692.db2.gz VPMJIBGQLUPDIF-WBVHZDCISA-N 0 3 316.401 2.443 20 30 DEEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491276939 406559548 /nfs/dbraw/zinc/55/95/48/406559548.db2.gz LRDNBAJCBYPMQE-GXTWGEPZSA-N 0 3 302.374 2.192 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccc(OCC)c2)CC1 ZINC000491067433 406523690 /nfs/dbraw/zinc/52/36/90/406523690.db2.gz HZFXSRDGPORUIG-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccc(OCCC)c2)CC1 ZINC000491066534 406524046 /nfs/dbraw/zinc/52/40/46/406524046.db2.gz DBUDIXUAVPSEEF-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000491461987 406598382 /nfs/dbraw/zinc/59/83/82/406598382.db2.gz GGZSOUKDTPHKIQ-MAZHCROVSA-N 0 3 303.381 2.282 20 30 DEEDHN CS[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000352473165 286718957 /nfs/dbraw/zinc/71/89/57/286718957.db2.gz QEGNCNQYIIITAE-CABCVRRESA-N 0 3 321.490 2.499 20 30 DEEDHN CC(C#N)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491518442 406609549 /nfs/dbraw/zinc/60/95/49/406609549.db2.gz LIFFJFXIYMFFHF-CHWSQXEVSA-N 0 3 309.410 2.299 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000569218325 292398534 /nfs/dbraw/zinc/39/85/34/292398534.db2.gz ZJWXDIBZWVINDI-RDJZCZTQSA-N 0 3 313.401 2.388 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000491375561 406580696 /nfs/dbraw/zinc/58/06/96/406580696.db2.gz WOCDWFPBXSADFC-UHFFFAOYSA-N 0 3 312.413 2.189 20 30 DEEDHN C#C[C@H](NC[C@H](O)COc1ccc(CC=C)cc1OC)C(C)C ZINC000491381479 406581515 /nfs/dbraw/zinc/58/15/15/406581515.db2.gz FNHNXEJSAXAZJY-IRXDYDNUSA-N 0 3 317.429 2.411 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 ZINC000491654295 406651913 /nfs/dbraw/zinc/65/19/13/406651913.db2.gz FSCOTOKSXSAFPP-UHFFFAOYSA-N 0 3 324.428 2.216 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000491671440 406661423 /nfs/dbraw/zinc/66/14/23/406661423.db2.gz WUCLWYPEJKIOJB-ZBFHGGJFSA-N 0 3 301.365 2.036 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)CC1 ZINC000491682688 406667004 /nfs/dbraw/zinc/66/70/04/406667004.db2.gz UGAZSFCWTAOOEU-DGCLKSJQSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC(OCCC(C)C)CC1 ZINC000491693510 406672410 /nfs/dbraw/zinc/67/24/10/406672410.db2.gz JFQALMXXXBELNE-UHFFFAOYSA-N 0 3 323.481 2.178 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000491818711 406736080 /nfs/dbraw/zinc/73/60/80/406736080.db2.gz ZMZTYWFLJIYWJJ-MRXNPFEDSA-N 0 3 321.852 2.014 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(CCOC)CC2)CC1 ZINC000527768122 406744204 /nfs/dbraw/zinc/74/42/04/406744204.db2.gz FXHBTKRVBZMQDI-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN N#Cc1csc(CN[C@]2(CO)COc3ccccc3C2)c1 ZINC000527769490 406745078 /nfs/dbraw/zinc/74/50/78/406745078.db2.gz PRPNQKKVNMLTGN-MRXNPFEDSA-N 0 3 300.383 2.076 20 30 DEEDHN C=CCCS(=O)(=O)N(C)C(C)(C)CN1CCCCCC1 ZINC000491871844 406757011 /nfs/dbraw/zinc/75/70/11/406757011.db2.gz OJXIKHYQDNKJOW-UHFFFAOYSA-N 0 3 302.484 2.479 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000491776404 406713281 /nfs/dbraw/zinc/71/32/81/406713281.db2.gz WADTTWZMIDVDEO-INIZCTEOSA-N 0 3 317.433 2.228 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cccc(OC)c2)CC1 ZINC000491916179 406776244 /nfs/dbraw/zinc/77/62/44/406776244.db2.gz UZQNMIWREVKSTL-HJWRWDBZSA-N 0 3 312.413 2.312 20 30 DEEDHN C=CCC1(C(=O)N2CCN(c3ccncc3)CC2)CCOCC1 ZINC000644548663 407140807 /nfs/dbraw/zinc/14/08/07/407140807.db2.gz BXSVXKXVTXBZQI-UHFFFAOYSA-N 0 3 315.417 2.103 20 30 DEEDHN O[C@@H](CNCC#Cc1cccc(F)c1)COCc1cccs1 ZINC000644640642 407158582 /nfs/dbraw/zinc/15/85/82/407158582.db2.gz MXWVUNYVBFQWFT-INIZCTEOSA-N 0 3 319.401 2.406 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)[C@H]1C ZINC001088889442 782022271 /nfs/dbraw/zinc/02/22/71/782022271.db2.gz RXOBXXHBTPNGII-QAPCUYQASA-N 0 3 311.429 2.441 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000331195738 226067947 /nfs/dbraw/zinc/06/79/47/226067947.db2.gz WWPNJBVUCUZGBC-HUUCEWRRSA-N 0 3 322.355 2.235 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(-n3ccnn3)c2)nc(C)n1 ZINC000339652868 226190161 /nfs/dbraw/zinc/19/01/61/226190161.db2.gz XFWUJGYLNNHRBD-HNNXBMFYSA-N 0 3 318.340 2.164 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000337616414 226140148 /nfs/dbraw/zinc/14/01/48/226140148.db2.gz CWAJYNRAQUSJTO-ZDUSSCGKSA-N 0 3 302.374 2.158 20 30 DEEDHN O=C(NCC#Cc1cccc(F)c1)NC1CCN(C2CC2)CC1 ZINC000338002372 226152691 /nfs/dbraw/zinc/15/26/91/226152691.db2.gz NAVWMBFXCHMLKY-UHFFFAOYSA-N 0 3 315.392 2.103 20 30 DEEDHN C[C@H](N[C@@H]1CCCN(CCCO)C1)c1ccc(C#N)c(F)c1 ZINC000297470314 227212366 /nfs/dbraw/zinc/21/23/66/227212366.db2.gz YOKAIGZKSWKFIA-XJKSGUPXSA-N 0 3 305.397 2.195 20 30 DEEDHN CCn1nncc1CNCCSCc1ccccc1C#N ZINC000417852480 229125107 /nfs/dbraw/zinc/12/51/07/229125107.db2.gz ZNVYJFKEZAALEQ-UHFFFAOYSA-N 0 3 301.419 2.193 20 30 DEEDHN C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CCN1CC(C)(C)O ZINC000302461296 230254087 /nfs/dbraw/zinc/25/40/87/230254087.db2.gz ABRLTQOVOWZQCP-CQSZACIVSA-N 0 3 324.428 2.388 20 30 DEEDHN Cc1nc(NCc2ccncc2OCCN(C)C)ccc1C#N ZINC000488059469 421067709 /nfs/dbraw/zinc/06/77/09/421067709.db2.gz BPOFCQAEOJBUAK-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000611481824 422477319 /nfs/dbraw/zinc/47/73/19/422477319.db2.gz YZIVZEZRLYQIIM-AWEZNQCLSA-N 0 3 318.425 2.101 20 30 DEEDHN CSc1ccc([C@@H](CNc2cc(C#N)ncn2)N(C)C)cc1 ZINC000549281970 424873580 /nfs/dbraw/zinc/87/35/80/424873580.db2.gz DLCAUYIBBHOWFP-OAHLLOKOSA-N 0 3 313.430 2.785 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)c(N)n2)C1 ZINC000570815748 424930099 /nfs/dbraw/zinc/93/00/99/424930099.db2.gz FWGBJSFIBYZVGV-CZUORRHYSA-N 0 3 307.401 2.783 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000338033651 424934093 /nfs/dbraw/zinc/93/40/93/424934093.db2.gz DEGVEWZDLXNWLR-UHFFFAOYSA-N 0 3 323.400 2.582 20 30 DEEDHN Cc1[nH]nc(NC(=O)c2cccc(CN3CCCCC3)c2)c1C#N ZINC000412288037 424938519 /nfs/dbraw/zinc/93/85/19/424938519.db2.gz PTKCDCWAJPXSID-UHFFFAOYSA-N 0 3 323.400 2.828 20 30 DEEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)nc1N ZINC000574053518 424941988 /nfs/dbraw/zinc/94/19/88/424941988.db2.gz MLTPVEPZPAUUMF-CQSZACIVSA-N 0 3 311.389 2.768 20 30 DEEDHN C=CCCn1cc(CN2CCN(CCC(C)(C)C)CC2)nn1 ZINC000653504269 425163120 /nfs/dbraw/zinc/16/31/20/425163120.db2.gz NOFBFSHPSWRSQZ-UHFFFAOYSA-N 0 3 305.470 2.408 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000657160457 425271391 /nfs/dbraw/zinc/27/13/91/425271391.db2.gz GZHOZIKCSAWEBW-AWEZNQCLSA-N 0 3 300.468 2.279 20 30 DEEDHN C=CCN(C(=O)NCc1cccc(CN(C)C)c1)[C@@H](C)COC ZINC000663678692 425211510 /nfs/dbraw/zinc/21/15/10/425211510.db2.gz RSMQSBWIHMGQIE-HNNXBMFYSA-N 0 3 319.449 2.481 20 30 DEEDHN C=CCCn1cc(CN[C@@H]2CCOC3(CCSCC3)C2)nn1 ZINC000657410588 425327681 /nfs/dbraw/zinc/32/76/81/425327681.db2.gz ALCBSAIAZIFULM-CQSZACIVSA-N 0 3 322.478 2.389 20 30 DEEDHN C=CCCn1cc(CN[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657327611 425305211 /nfs/dbraw/zinc/30/52/11/425305211.db2.gz MBVBVHLVVQPANY-XHSDSOJGSA-N 0 3 305.470 2.310 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654581751 425388778 /nfs/dbraw/zinc/38/87/78/425388778.db2.gz IAEQEKBKJYWEIP-CABCVRRESA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCCCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661360463 425389920 /nfs/dbraw/zinc/38/99/20/425389920.db2.gz YPLIEKIRXDNIQW-INIZCTEOSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CC[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000661380295 425394114 /nfs/dbraw/zinc/39/41/14/425394114.db2.gz MKDQTVWSIQWMLP-AWEZNQCLSA-N 0 3 305.422 2.139 20 30 DEEDHN C=CCNC(=O)CN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661430427 425406681 /nfs/dbraw/zinc/40/66/81/425406681.db2.gz VLTNLGMWIVKHFB-QGZVFWFLSA-N 0 3 322.836 2.324 20 30 DEEDHN C=CCN(C(=O)NC[C@H]1CCCCN1C1CC1)[C@H](C)COC ZINC000664758108 425448841 /nfs/dbraw/zinc/44/88/41/425448841.db2.gz HHZOWXVXTZDLFC-GDBMZVCRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000664815843 425458747 /nfs/dbraw/zinc/45/87/47/425458747.db2.gz VYAXDRJHEPUPIW-UHFFFAOYSA-N 0 3 310.486 2.056 20 30 DEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNCCO2)[C@@H](C)COC ZINC000659021334 425522098 /nfs/dbraw/zinc/52/20/98/425522098.db2.gz FXFOTWDQQZYPBZ-ZDUSSCGKSA-N 0 3 319.405 2.223 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCOC)CCN(C)C ZINC000665394948 425561687 /nfs/dbraw/zinc/56/16/87/425561687.db2.gz XWTTUJDFQRKFEO-HZPDHXFCSA-N 0 3 311.470 2.341 20 30 DEEDHN C=C[C@H](CO)NCCOc1cc(F)cc(Br)c1 ZINC000662168761 425580420 /nfs/dbraw/zinc/58/04/20/425580420.db2.gz TZTHGOUWSGUHIH-LLVKDONJSA-N 0 3 304.159 2.104 20 30 DEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cncc(C#N)n1 ZINC000401321055 269111854 /nfs/dbraw/zinc/11/18/54/269111854.db2.gz JFKXXONESODFGF-INIZCTEOSA-N 0 3 307.401 2.307 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@H]2CCOC3(CCC3)C2)C(N)=O)cc1 ZINC000516635221 269366916 /nfs/dbraw/zinc/36/69/16/269366916.db2.gz UBQRWAHODWKBJW-HOCLYGCPSA-N 0 3 313.401 2.024 20 30 DEEDHN CC(C)N1CCN(c2cccc(Nc3ccnc(C#N)n3)c2)CC1 ZINC000517390071 269384858 /nfs/dbraw/zinc/38/48/58/269384858.db2.gz BPGYOJKGNCHHKB-UHFFFAOYSA-N 0 3 322.416 2.044 20 30 DEEDHN CC1(C)CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCN1 ZINC000420289097 273584795 /nfs/dbraw/zinc/58/47/95/273584795.db2.gz ZEDIICFYBGIZSG-UHFFFAOYSA-N 0 3 311.345 2.203 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000370081077 275384883 /nfs/dbraw/zinc/38/48/83/275384883.db2.gz IFXUAXAQQRBAFS-UHFFFAOYSA-N 0 3 312.413 2.143 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCc2ccccc21 ZINC000451685246 275436880 /nfs/dbraw/zinc/43/68/80/275436880.db2.gz ZFWRVGILXBVHDV-WBVHZDCISA-N 0 3 300.402 2.289 20 30 DEEDHN CC1(C#N)CCN(CCC(=O)N2CCOc3ccccc32)CC1 ZINC000348403664 275805007 /nfs/dbraw/zinc/80/50/07/275805007.db2.gz WPZQASPIQMCTHI-UHFFFAOYSA-N 0 3 313.401 2.428 20 30 DEEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000189484242 276510496 /nfs/dbraw/zinc/51/04/96/276510496.db2.gz DUBMHYBJBKURDD-FMKPAKJESA-N 0 3 309.479 2.449 20 30 DEEDHN CO[C@@H]1C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451487804 277306541 /nfs/dbraw/zinc/30/65/41/277306541.db2.gz FUNNTJKQIRERJP-ZIAGYGMSSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000358288095 277853596 /nfs/dbraw/zinc/85/35/96/277853596.db2.gz ISQJADISMBPUEH-KRWDZBQOSA-N 0 3 319.449 2.003 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000365845022 279172182 /nfs/dbraw/zinc/17/21/82/279172182.db2.gz BMDJLYPXSBRMPO-BRWVUGGUSA-N 0 3 321.465 2.154 20 30 DEEDHN Cc1nc(NC[C@@H](O)CN2CCCCC2)c(Cl)cc1C#N ZINC000290937980 281974743 /nfs/dbraw/zinc/97/47/43/281974743.db2.gz KFGPDHGDRQUAIL-CYBMUJFWSA-N 0 3 308.813 2.174 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)/C=C\c2ccc(C#N)cc2)CCSC1 ZINC000492082033 289340489 /nfs/dbraw/zinc/34/04/89/289340489.db2.gz HUVWKAVCRZJYFO-ZPUOCTKUSA-N 0 3 315.442 2.125 20 30 DEEDHN C[C@H](O)C[C@@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000323664414 290125019 /nfs/dbraw/zinc/12/50/19/290125019.db2.gz VIRVICRHNFONGC-HOTGVXAUSA-N 0 3 321.465 2.345 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC(C)(C)CCC#N)C1 ZINC000376994627 290172683 /nfs/dbraw/zinc/17/26/83/290172683.db2.gz PYGZKCSIKLQFQE-LSDHHAIUSA-N 0 3 306.454 2.442 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329521928 295381246 /nfs/dbraw/zinc/38/12/46/295381246.db2.gz PDILSEMHXQHGFJ-LQKXBSAESA-N 0 3 308.422 2.011 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)[C@H]1C ZINC001088951444 782073472 /nfs/dbraw/zinc/07/34/72/782073472.db2.gz PSDRPQHREQNYCN-GUTXKFCHSA-N 0 3 316.449 2.303 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C=Cc1cc(C(=O)OC)co1 ZINC001349702504 1151273687 /nfs/dbraw/zinc/27/36/87/1151273687.db2.gz QUCUVIIVOZHXGZ-MUBLQREKSA-N 0 3 313.313 2.172 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnc(OC(C)C)c2)[C@H]1C ZINC001088974436 782092089 /nfs/dbraw/zinc/09/20/89/782092089.db2.gz RWPOPEGQWKGPIB-ZBFHGGJFSA-N 0 3 315.417 2.085 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1cccc(Cl)c1 ZINC000556330754 331669146 /nfs/dbraw/zinc/66/91/46/331669146.db2.gz ZEPBHMWKKZGSAR-CABCVRRESA-N 0 3 308.809 2.279 20 30 DEEDHN N#Cc1cnn2cc(CN[C@H](CO)CC3CCCCC3)cnc12 ZINC000582063340 333194918 /nfs/dbraw/zinc/19/49/18/333194918.db2.gz YBKJOTOWXOPJEO-INIZCTEOSA-N 0 3 313.405 2.022 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000295246989 335134446 /nfs/dbraw/zinc/13/44/46/335134446.db2.gz FJVBKJGBZOXSIZ-LJQANCHMSA-N 0 3 312.413 2.257 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCCC[C@@H]1O)C(C)C ZINC000103306371 336239889 /nfs/dbraw/zinc/23/98/89/336239889.db2.gz POKSNFMTKCZTCG-ULQDDVLXSA-N 0 3 323.481 2.288 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000582879686 337214367 /nfs/dbraw/zinc/21/43/67/337214367.db2.gz MNRXYKUQDHIHKI-AWEZNQCLSA-N 0 3 324.384 2.285 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000582886552 337215128 /nfs/dbraw/zinc/21/51/28/337215128.db2.gz CXADSEJYFIRPOW-OWVAZHOYSA-N 0 3 301.434 2.305 20 30 DEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000572054785 337587958 /nfs/dbraw/zinc/58/79/58/337587958.db2.gz BCZOBMPPYOMPED-QGZVFWFLSA-N 0 3 311.429 2.489 20 30 DEEDHN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424167673 337790483 /nfs/dbraw/zinc/79/04/83/337790483.db2.gz HIFJUVFQWLDCOA-RHSMWYFYSA-N 0 3 317.433 2.353 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496319293 340002978 /nfs/dbraw/zinc/00/29/78/340002978.db2.gz DOJPJCOFYLRIGH-UPJWGTAASA-N 0 3 309.410 2.155 20 30 DEEDHN CCOC(=O)N(C)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000496405482 340004820 /nfs/dbraw/zinc/00/48/20/340004820.db2.gz ZAEAIDFYBWJFTN-CQSZACIVSA-N 0 3 318.377 2.239 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496526574 340007216 /nfs/dbraw/zinc/00/72/16/340007216.db2.gz CZVPKFYQMLRCFY-STQMWFEESA-N 0 3 303.362 2.222 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496562307 340007891 /nfs/dbraw/zinc/00/78/91/340007891.db2.gz BPBOLRCVDRNNFI-GXTWGEPZSA-N 0 3 307.394 2.196 20 30 DEEDHN C[C@@H](C#N)OCCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496601026 340008590 /nfs/dbraw/zinc/00/85/90/340008590.db2.gz UJDMPFMYQFKNJU-ZDUSSCGKSA-N 0 3 311.426 2.294 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496759071 340012258 /nfs/dbraw/zinc/01/22/58/340012258.db2.gz ZCFMFOXLKQQOQY-XJFOESAGSA-N 0 3 321.421 2.298 20 30 DEEDHN COC(=O)N1CCC[C@@H]([C@H](C)NCC#Cc2ccccc2)C1 ZINC000496826862 340013933 /nfs/dbraw/zinc/01/39/33/340013933.db2.gz HYUPTARKZAKMBZ-DOTOQJQBSA-N 0 3 300.402 2.495 20 30 DEEDHN CC(=NNC1=N[C@@H](C)CN1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496910974 340015928 /nfs/dbraw/zinc/01/59/28/340015928.db2.gz QHKMOEYLXJPKBS-WCQYABFASA-N 0 3 323.441 2.089 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CCC)CCO)CC1 ZINC000074130146 341129444 /nfs/dbraw/zinc/12/94/44/341129444.db2.gz RCCKSHHFEPVDFK-HNNXBMFYSA-N 0 3 311.470 2.125 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CCC)CCO)CC1 ZINC000074130148 341129464 /nfs/dbraw/zinc/12/94/64/341129464.db2.gz RCCKSHHFEPVDFK-OAHLLOKOSA-N 0 3 311.470 2.125 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000076462746 341207764 /nfs/dbraw/zinc/20/77/64/341207764.db2.gz HSHOYZSFWMMAOZ-IBGZPJMESA-N 0 3 310.441 2.469 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001376914988 1159844729 /nfs/dbraw/zinc/84/47/29/1159844729.db2.gz VHTUOHNQSSMBLH-LSDHHAIUSA-N 0 3 315.889 2.296 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001098284372 782122908 /nfs/dbraw/zinc/12/29/08/782122908.db2.gz ZBWPJIVYWSXGTJ-IDCNUPLLSA-N 0 3 311.429 2.094 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2C(C)C)[C@H]1C ZINC001089035386 782127471 /nfs/dbraw/zinc/12/74/71/782127471.db2.gz XNZSMGLDDMYMCV-HIFRSBDPSA-N 0 3 304.438 2.312 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNCC(=O)NC(C)C)CCCCC1 ZINC001329824797 1149000689 /nfs/dbraw/zinc/00/06/89/1149000689.db2.gz JRIBXYIGNQDZEF-UHFFFAOYSA-N 0 3 323.481 2.276 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@]23CCOC3)CCCC1 ZINC001378363510 1152305584 /nfs/dbraw/zinc/30/55/84/1152305584.db2.gz CFDRUCHPEIMSJQ-ZFWWWQNUSA-N 0 3 312.841 2.184 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)C1CC(F)(F)C1 ZINC001378555933 1152374041 /nfs/dbraw/zinc/37/40/41/1152374041.db2.gz FOEBVKLJTUICDM-GFCCVEGCSA-N 0 3 321.371 2.445 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001329950925 1149022441 /nfs/dbraw/zinc/02/24/41/1149022441.db2.gz FCMCZZGCBBNVFK-UAGQMJEPSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Br)CNC[C@@H](NC(=O)C(F)F)C(C)(C)C ZINC001369532382 1149023375 /nfs/dbraw/zinc/02/33/75/1149023375.db2.gz HWMBXALLRQRULS-MRVPVSSYSA-N 0 3 313.186 2.281 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001329998102 1149029897 /nfs/dbraw/zinc/02/98/97/1149029897.db2.gz CDKUQZKXPLEZJZ-GFCCVEGCSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)(C)C ZINC001369550842 1149036333 /nfs/dbraw/zinc/03/63/33/1149036333.db2.gz VSSURLARTFCHHR-BZPMIXESSA-N 0 3 324.856 2.386 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(OCC)c2)[C@H]1C ZINC001089063427 782144085 /nfs/dbraw/zinc/14/40/85/782144085.db2.gz CFCNHMWSEVLFCA-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN C[C@H](CCC#N)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000411180801 533787553 /nfs/dbraw/zinc/78/75/53/533787553.db2.gz CUDDVARCLVFISY-CYBMUJFWSA-N 0 3 307.360 2.265 20 30 DEEDHN CC[C@H](F)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001378805159 1152451385 /nfs/dbraw/zinc/45/13/85/1152451385.db2.gz PIWQVQTYKDKZMR-RISCZKNCSA-N 0 3 309.360 2.382 20 30 DEEDHN C[C@H](CNC(=O)NCC#Cc1ccccc1)N1CCC[C@@H](C)C1 ZINC000337376906 534098160 /nfs/dbraw/zinc/09/81/60/534098160.db2.gz SAQJXHJPXXEOIL-IAGOWNOFSA-N 0 3 313.445 2.458 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001378877087 1152476401 /nfs/dbraw/zinc/47/64/01/1152476401.db2.gz WJMRLMGZOITVDI-MGPQQGTHSA-N 0 3 310.829 2.071 20 30 DEEDHN N#C[C@H]1CCC[C@@H](NCCS(=O)(=O)Cc2ccccc2)C1 ZINC000278188313 534747908 /nfs/dbraw/zinc/74/79/08/534747908.db2.gz FAWVMHKSLHNJBJ-JKSUJKDBSA-N 0 3 306.431 2.273 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H]([C@H]4CCOC4)C3)o2)c1 ZINC000441673914 534801237 /nfs/dbraw/zinc/80/12/37/534801237.db2.gz JCOUXCDNZKHZDG-HOTGVXAUSA-N 0 3 324.384 2.467 20 30 DEEDHN CC#CCCNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000417685851 526329763 /nfs/dbraw/zinc/32/97/63/526329763.db2.gz PSDPNZXARPYOOR-UHFFFAOYSA-N 0 3 319.405 2.171 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@](C)(CO)C2CCCCC2)CC1 ZINC000331327282 526414317 /nfs/dbraw/zinc/41/43/17/526414317.db2.gz GATVYTZTILRGPQ-GOSISDBHSA-N 0 3 323.481 2.472 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000339557432 526419283 /nfs/dbraw/zinc/41/92/83/526419283.db2.gz XBWBIGWKBJNQJA-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000334004763 526439929 /nfs/dbraw/zinc/43/99/29/526439929.db2.gz KWTUTUQDSDXMKK-JKSUJKDBSA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000372176049 526586546 /nfs/dbraw/zinc/58/65/46/526586546.db2.gz OJMAMTVPRDBCEH-HZPDHXFCSA-N 0 3 321.465 2.095 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OC)C[C@@H]2C)CC1 ZINC000441188873 526587279 /nfs/dbraw/zinc/58/72/79/526587279.db2.gz MGKPCFUOLNEZOF-HOCLYGCPSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189278491 526595316 /nfs/dbraw/zinc/59/53/16/526595316.db2.gz IHSPKQOJYCTCFS-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)COc1cc(CNCCOCCOC)ccc1OC ZINC000299391318 526661693 /nfs/dbraw/zinc/66/16/93/526661693.db2.gz IWYAGKGVCGZYAH-UHFFFAOYSA-N 0 3 309.406 2.403 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000189810007 526686139 /nfs/dbraw/zinc/68/61/39/526686139.db2.gz URQAOOPCVZGCJW-UONOGXRCSA-N 0 3 300.468 2.135 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000342023050 526695074 /nfs/dbraw/zinc/69/50/74/526695074.db2.gz ASSFQFMEUBXQAU-CVEARBPZSA-N 0 3 307.482 2.216 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)Cc1ccccn1)OCC ZINC000339353861 526740547 /nfs/dbraw/zinc/74/05/47/526740547.db2.gz BDXWQKAENKBQEY-QGZVFWFLSA-N 0 3 319.449 2.343 20 30 DEEDHN C=CCOCCN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000339021209 526770939 /nfs/dbraw/zinc/77/09/39/526770939.db2.gz LVATWTOOARSTEN-UHFFFAOYSA-N 0 3 304.390 2.245 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000334086293 526797564 /nfs/dbraw/zinc/79/75/64/526797564.db2.gz CKKCYLCQKUCSQN-JYJNAYRXSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000297471168 526808001 /nfs/dbraw/zinc/80/80/01/526808001.db2.gz LPFLKDWRRZUZME-UHFFFAOYSA-N 0 3 324.428 2.187 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000341420617 526961398 /nfs/dbraw/zinc/96/13/98/526961398.db2.gz OFMNEDIEHQYHPG-CQSZACIVSA-N 0 3 303.406 2.108 20 30 DEEDHN C=CC1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000192018786 526979168 /nfs/dbraw/zinc/97/91/68/526979168.db2.gz USFFJKNORTTYCR-UHFFFAOYSA-N 0 3 322.474 2.346 20 30 DEEDHN C=CCC(C)(C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000292934623 526993508 /nfs/dbraw/zinc/99/35/08/526993508.db2.gz XFGQBHVNERUBOL-KRWDZBQOSA-N 0 3 316.445 2.472 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000375399974 527017846 /nfs/dbraw/zinc/01/78/46/527017846.db2.gz BGURVXAVSMSSHA-OAHLLOKOSA-N 0 3 313.445 2.070 20 30 DEEDHN C=CC[C@@H](CO)CNc1ccnc2cc(OC)c(OC)cc21 ZINC000413219609 527056669 /nfs/dbraw/zinc/05/66/69/527056669.db2.gz DSMMQYYOBFWVRN-GFCCVEGCSA-N 0 3 302.374 2.270 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000295636166 527074130 /nfs/dbraw/zinc/07/41/30/527074130.db2.gz QEXZEBRQCDNTND-XJKSGUPXSA-N 0 3 320.458 2.166 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340219240 527119014 /nfs/dbraw/zinc/11/90/14/527119014.db2.gz UCIAIBFJIYDMAY-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCCCCN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000193296023 527133944 /nfs/dbraw/zinc/13/39/44/527133944.db2.gz KAOQTYSVLBBDLW-UHFFFAOYSA-N 0 3 314.437 2.232 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339622763 527265451 /nfs/dbraw/zinc/26/54/51/527265451.db2.gz QQICJGKWLQQXQJ-SOLBZPMBSA-N 0 3 318.461 2.179 20 30 DEEDHN Cc1nccn1CCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000336881987 527394901 /nfs/dbraw/zinc/39/49/01/527394901.db2.gz VFBGBJIHGGVWFM-UHFFFAOYSA-N 0 3 324.432 2.061 20 30 DEEDHN CCCN(CC(=O)N(CCC#N)c1ccccc1)CC(C)(C)O ZINC000264153781 527886757 /nfs/dbraw/zinc/88/67/57/527886757.db2.gz ADRXGJXHZSRTIT-UHFFFAOYSA-N 0 3 317.433 2.416 20 30 DEEDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182017812 528155568 /nfs/dbraw/zinc/15/55/68/528155568.db2.gz FVZDGKMOZINMSB-HIFRSBDPSA-N 0 3 316.405 2.043 20 30 DEEDHN CC(C)c1ncsc1C(=O)NCC1CCN(CCO)CC1 ZINC000331344095 528380920 /nfs/dbraw/zinc/38/09/20/528380920.db2.gz UPFBLMWCODCBGV-UHFFFAOYSA-N 0 3 311.451 2.275 20 30 DEEDHN CC(C)[C@@H](NCC(=O)Nc1sccc1C#N)C1(CO)CCC1 ZINC000293019010 528584154 /nfs/dbraw/zinc/58/41/54/528584154.db2.gz KISIXGAIOMPLCV-CQSZACIVSA-N 0 3 321.446 2.335 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337408902 528697347 /nfs/dbraw/zinc/69/73/47/528697347.db2.gz MUBHDROTFPYGOH-JHJVBQTASA-N 0 3 317.380 2.135 20 30 DEEDHN CCNC(=O)NC(=O)CN1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000331129797 528826706 /nfs/dbraw/zinc/82/67/06/528826706.db2.gz AKSCENIETLLCJC-DZGCQCFKSA-N 0 3 303.406 2.223 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2cc(C(C)=O)ccc2C#N)CC1 ZINC000302047013 529150951 /nfs/dbraw/zinc/15/09/51/529150951.db2.gz VGVXXUHAXVCJSU-AWEZNQCLSA-N 0 3 314.433 2.199 20 30 DEEDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)N(C)C ZINC000193099394 535145233 /nfs/dbraw/zinc/14/52/33/535145233.db2.gz BSCKCGDOKOFDOG-INIZCTEOSA-N 0 3 323.462 2.203 20 30 DEEDHN CCN1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000360502019 535521665 /nfs/dbraw/zinc/52/16/65/535521665.db2.gz ABAOMXNRZBFUIX-UHFFFAOYSA-N 0 3 311.389 2.136 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2cc(C#N)cs2)CC1 ZINC000449745151 535672389 /nfs/dbraw/zinc/67/23/89/535672389.db2.gz LMIBZHFLYSRRRE-UHFFFAOYSA-N 0 3 306.479 2.125 20 30 DEEDHN CN1CCC2(CCCN2C(=O)NCc2cccc(C#N)c2)CC1 ZINC000372843311 536348286 /nfs/dbraw/zinc/34/82/86/536348286.db2.gz UNUPGCLKEHAMCT-UHFFFAOYSA-N 0 3 312.417 2.328 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@H](CC)OC)C(C)C ZINC001378954462 1152504564 /nfs/dbraw/zinc/50/45/64/1152504564.db2.gz QGHQXHXMXUCTTG-RYUDHWBXSA-N 0 3 321.259 2.050 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@H](c1ccco1)N1CCCC1 ZINC001358939581 1152530214 /nfs/dbraw/zinc/53/02/14/1152530214.db2.gz ZMHJHBTZCJAQQB-OAHLLOKOSA-N 0 3 313.405 2.086 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001327523365 1148576923 /nfs/dbraw/zinc/57/69/23/1148576923.db2.gz AZVRHUOUGXRHIH-IOMDMTNGSA-N 0 3 324.852 2.093 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000835064525 649874488 /nfs/dbraw/zinc/87/44/88/649874488.db2.gz FYIDYRSDEYLARB-FZMZJTMJSA-N 0 3 304.346 2.158 20 30 DEEDHN C#CCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000835062861 649874587 /nfs/dbraw/zinc/87/45/87/649874587.db2.gz SLEQYXOQELGAHT-WDEREUQCSA-N 0 3 304.733 2.026 20 30 DEEDHN COc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000821817884 599407473 /nfs/dbraw/zinc/40/74/73/599407473.db2.gz AIDWGMTYDDOCAO-UHFFFAOYSA-N 0 3 320.356 2.037 20 30 DEEDHN CN1CCCC[C@H]1CC[N@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940046 601320464 /nfs/dbraw/zinc/32/04/64/601320464.db2.gz BNPBWKGOVTXYBM-IRXDYDNUSA-N 0 3 315.417 2.490 20 30 DEEDHN CN1CCCC[C@H]1CC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940046 601320467 /nfs/dbraw/zinc/32/04/67/601320467.db2.gz BNPBWKGOVTXYBM-IRXDYDNUSA-N 0 3 315.417 2.490 20 30 DEEDHN C[N@@H+]1CCC[C@@H]2CN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941018 604496429 /nfs/dbraw/zinc/49/64/29/604496429.db2.gz PRVYMEYNMXVJNA-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN C[N@H+]1CCC[C@@H]2CN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941018 604496432 /nfs/dbraw/zinc/49/64/32/604496432.db2.gz PRVYMEYNMXVJNA-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941018 604496434 /nfs/dbraw/zinc/49/64/34/604496434.db2.gz PRVYMEYNMXVJNA-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN CN1CCC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC[C@@H]21 ZINC000830941018 604496436 /nfs/dbraw/zinc/49/64/36/604496436.db2.gz PRVYMEYNMXVJNA-IXDOHACOSA-N 0 3 313.401 2.100 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001330570955 1149199855 /nfs/dbraw/zinc/19/98/55/1149199855.db2.gz IMIBFDDGKIZANU-INIZCTEOSA-N 0 3 300.402 2.154 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H](CC)OC)CC[C@@H]2C1 ZINC000946514743 634384552 /nfs/dbraw/zinc/38/45/52/634384552.db2.gz NJRCZFRFHPBQJV-ZNMIVQPWSA-N 0 3 314.857 2.334 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(F)cn1 ZINC001025224410 625281829 /nfs/dbraw/zinc/28/18/29/625281829.db2.gz PLRNRHUKJQQIAJ-IAGOWNOFSA-N 0 3 315.392 2.313 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(F)ccc2CC)C1 ZINC001023466832 625283071 /nfs/dbraw/zinc/28/30/71/625283071.db2.gz PAIOIKORPVCSDT-CQSZACIVSA-N 0 3 302.393 2.463 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](CNC(=O)c3cnco3)C2)c1 ZINC001023516307 625306019 /nfs/dbraw/zinc/30/60/19/625306019.db2.gz QAGIAUFBUMTPEM-INIZCTEOSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1[nH]c(C)nc1C ZINC001025272458 625318689 /nfs/dbraw/zinc/31/86/89/625318689.db2.gz LYAVBVIDVBAWRV-HZPDHXFCSA-N 0 3 314.433 2.119 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1[nH]c(C)nc1C ZINC001025272460 625318746 /nfs/dbraw/zinc/31/87/46/625318746.db2.gz LYAVBVIDVBAWRV-JKSUJKDBSA-N 0 3 314.433 2.119 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cncc3sccc32)C1 ZINC001023554321 625323829 /nfs/dbraw/zinc/32/38/29/625323829.db2.gz KETYMPQDFDGIAW-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1nocc1C ZINC001025286507 625324856 /nfs/dbraw/zinc/32/48/56/625324856.db2.gz JSHBFCOZULZICO-HOTGVXAUSA-N 0 3 315.417 2.465 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nocc1C ZINC001025286506 625325142 /nfs/dbraw/zinc/32/51/42/625325142.db2.gz JSHBFCOZULZICO-CVEARBPZSA-N 0 3 315.417 2.465 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C#C)nc1 ZINC001025293183 625327509 /nfs/dbraw/zinc/32/75/09/625327509.db2.gz PQSKDDVEAZUXTK-OALUTQOASA-N 0 3 321.424 2.155 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C#C)cn1 ZINC001025289678 625328994 /nfs/dbraw/zinc/32/89/94/625328994.db2.gz RMARAEDSRWJZFJ-MOPGFXCFSA-N 0 3 321.424 2.155 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1[nH]cnc1CC ZINC001025295085 625329096 /nfs/dbraw/zinc/32/90/96/625329096.db2.gz DMXXLZJAFSLYLY-HZPDHXFCSA-N 0 3 314.433 2.064 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001023591322 625337663 /nfs/dbraw/zinc/33/76/63/625337663.db2.gz WVISBTCUDBWFBH-MRXNPFEDSA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)n2)C1 ZINC000972600816 625341285 /nfs/dbraw/zinc/34/12/85/625341285.db2.gz DLXBAJCMZRYUQV-NSHDSACASA-N 0 3 313.323 2.433 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001023621286 625355096 /nfs/dbraw/zinc/35/50/96/625355096.db2.gz JUVJGPUPSXIUSK-QGZVFWFLSA-N 0 3 323.440 2.138 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2scnc2C)C1 ZINC001025346024 625370180 /nfs/dbraw/zinc/37/01/80/625370180.db2.gz CJCOSQXZCYSAQV-JSGCOSHPSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cncc(F)c2)C1 ZINC001025377476 625391073 /nfs/dbraw/zinc/39/10/73/625391073.db2.gz GKCPBVCYOXRQLJ-KBPBESRZSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3ccccc3n2)C1 ZINC001023716771 625396848 /nfs/dbraw/zinc/39/68/48/625396848.db2.gz RQZNBUNNBGOCJJ-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C3CC3)cn2)C1 ZINC001023729586 625405802 /nfs/dbraw/zinc/40/58/02/625405802.db2.gz OFGHQZSZRLIVCT-OAHLLOKOSA-N 0 3 311.429 2.424 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(OC)cc2F)C1 ZINC000972654186 625410433 /nfs/dbraw/zinc/41/04/33/625410433.db2.gz VTPGGTABRSAYEU-AWEZNQCLSA-N 0 3 306.381 2.096 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001023734974 625411542 /nfs/dbraw/zinc/41/15/42/625411542.db2.gz IIXYSSAWIVPDMT-CYBMUJFWSA-N 0 3 320.820 2.424 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001025421417 625420676 /nfs/dbraw/zinc/42/06/76/625420676.db2.gz ZVNOGSXIYXJIFR-KGLIPLIRSA-N 0 3 317.433 2.436 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001025442291 625437816 /nfs/dbraw/zinc/43/78/16/625437816.db2.gz KRYWYFJGHSKIQW-VXGBXAGGSA-N 0 3 322.840 2.089 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2onc(C)c2C)C1 ZINC001025452622 625447564 /nfs/dbraw/zinc/44/75/64/625447564.db2.gz MQLUHINEVOKIFY-GJZGRUSLSA-N 0 3 303.406 2.145 20 30 DEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000092643755 625455476 /nfs/dbraw/zinc/45/54/76/625455476.db2.gz PACIGCKHJZLYQG-ZFWWWQNUSA-N 0 3 302.374 2.362 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001025462010 625456130 /nfs/dbraw/zinc/45/61/30/625456130.db2.gz ZRGMDLRUNUCENT-HOCLYGCPSA-N 0 3 324.428 2.037 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001019257144 625456170 /nfs/dbraw/zinc/45/61/70/625456170.db2.gz KTXFJEFVVBPMLH-SMDDNHRTSA-N 0 3 309.410 2.304 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001025486352 625477571 /nfs/dbraw/zinc/47/75/71/625477571.db2.gz UAOUAPOTXHHLLU-WBVHZDCISA-N 0 3 313.445 2.470 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3nccn32)C1 ZINC001025490147 625481323 /nfs/dbraw/zinc/48/13/23/625481323.db2.gz QFHIFGCSWOJBRY-HOTGVXAUSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc3cnccc3c2)C1 ZINC001025490790 625482799 /nfs/dbraw/zinc/48/27/99/625482799.db2.gz TVGVAOBBQNOTRC-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(OC)c2C)C1 ZINC001025537856 625521276 /nfs/dbraw/zinc/52/12/76/625521276.db2.gz BJOCGCMFNRGCPX-HOTGVXAUSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2nc(CC)oc2C)C1 ZINC001025555999 625546270 /nfs/dbraw/zinc/54/62/70/625546270.db2.gz RTOIGPANZUXVCR-JSGCOSHPSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000969170690 622602830 /nfs/dbraw/zinc/60/28/30/622602830.db2.gz PIQPERPVJIJOCR-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nccc3occc32)C1 ZINC001020421436 622624104 /nfs/dbraw/zinc/62/41/04/622624104.db2.gz PVHFRWNKPRVEFA-XYPYZODXSA-N 0 3 305.765 2.431 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC000949289981 622807563 /nfs/dbraw/zinc/80/75/63/622807563.db2.gz SQPYBIDOABQBJX-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000969595566 622833096 /nfs/dbraw/zinc/83/30/96/622833096.db2.gz BCDKDRUAMGCBEW-ZIAGYGMSSA-N 0 3 307.344 2.136 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2csc(Cl)n2)C1 ZINC001025586746 625599513 /nfs/dbraw/zinc/59/95/13/625599513.db2.gz DMRKSDDBKVFROR-MNOVXSKESA-N 0 3 311.838 2.260 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc3cc(C)ccn23)C1 ZINC000969732584 622898336 /nfs/dbraw/zinc/89/83/36/622898336.db2.gz FMMKCVBOZUHRJE-AWEZNQCLSA-N 0 3 312.417 2.269 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC000969792039 622923386 /nfs/dbraw/zinc/92/33/86/622923386.db2.gz FTDOUUWDRFFTNI-CQSZACIVSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c3cccnc32)C1 ZINC001025592364 625606344 /nfs/dbraw/zinc/60/63/44/625606344.db2.gz OFKLTAQPULDXSI-KGLIPLIRSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2conc2C2CCCC2)C1 ZINC000969831810 622939196 /nfs/dbraw/zinc/93/91/96/622939196.db2.gz ZXVVKYJIKMLTSP-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3ccncc3s2)C1 ZINC000969846346 622949734 /nfs/dbraw/zinc/94/97/34/622949734.db2.gz UGIBYJYYBLJESY-LBPRGKRZSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001020623881 622971295 /nfs/dbraw/zinc/97/12/95/622971295.db2.gz HGCSXNVJNFPEIF-WKILWMFISA-N 0 3 304.821 2.391 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)nc3sccn32)C1 ZINC000969969324 623026847 /nfs/dbraw/zinc/02/68/47/623026847.db2.gz MPDMTGFUHCURJV-NSHDSACASA-N 0 3 318.446 2.330 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2oc(CCC)nc2C)C1 ZINC001025596010 625616072 /nfs/dbraw/zinc/61/60/72/625616072.db2.gz VNLMGSUEQDVJEQ-DZGCQCFKSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC000970178558 623283366 /nfs/dbraw/zinc/28/33/66/623283366.db2.gz JDELHJWTXCDINB-UONOGXRCSA-N 0 3 312.413 2.083 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)s1 ZINC000970228474 623340930 /nfs/dbraw/zinc/34/09/30/623340930.db2.gz VYGQTJKHHMICCY-UHOFOFEASA-N 0 3 315.442 2.356 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000970243613 623361318 /nfs/dbraw/zinc/36/13/18/623361318.db2.gz CIGHSJFAPQIRPW-LBPRGKRZSA-N 0 3 313.376 2.380 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3nccs3)C2)s1 ZINC000970319461 623401356 /nfs/dbraw/zinc/40/13/56/623401356.db2.gz FJCUJEOWRJQOFJ-SNVBAGLBSA-N 0 3 318.427 2.081 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC000970332218 623401368 /nfs/dbraw/zinc/40/13/68/623401368.db2.gz RZVPVJBNCYYKFQ-SJKOYZFVSA-N 0 3 302.393 2.478 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000970425595 623447487 /nfs/dbraw/zinc/44/74/87/623447487.db2.gz KCZCWQNDWMRPID-FRRDWIJNSA-N 0 3 322.330 2.031 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2OC)C1 ZINC000970498562 623480543 /nfs/dbraw/zinc/48/05/43/623480543.db2.gz FBQZCFBLVZEEHV-HUUCEWRRSA-N 0 3 300.402 2.013 20 30 DEEDHN Cn1cccc1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026691734 625651290 /nfs/dbraw/zinc/65/12/90/625651290.db2.gz DWZSZQORBKTXRJ-HNNXBMFYSA-N 0 3 322.412 2.149 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC000970531994 623524537 /nfs/dbraw/zinc/52/45/37/623524537.db2.gz OPMGBUYFESLYGF-CYBMUJFWSA-N 0 3 323.396 2.014 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC000970556607 623540788 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ZINC001024675681 625961402 /nfs/dbraw/zinc/96/14/02/625961402.db2.gz NLTICMCXYLXUGC-AWEZNQCLSA-N 0 3 315.417 2.161 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)s1 ZINC000999242898 634530574 /nfs/dbraw/zinc/53/05/74/634530574.db2.gz XORVAQBBOYQFSM-CYBMUJFWSA-N 0 3 314.414 2.342 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc3nccn3c2)C1 ZINC000999668014 634654938 /nfs/dbraw/zinc/65/49/38/634654938.db2.gz INNZQHNLIBAGBM-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999877795 634698576 /nfs/dbraw/zinc/69/85/76/634698576.db2.gz WXVMCIIEQWNRKJ-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(N(C)C)cn2)C1 ZINC000999909037 634703074 /nfs/dbraw/zinc/70/30/74/634703074.db2.gz CDWAOASQSDZYEO-UHFFFAOYSA-N 0 3 322.840 2.093 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(C)c2C2CC2)C1 ZINC000999918897 634706499 /nfs/dbraw/zinc/70/64/99/634706499.db2.gz DLJVANYFSIWDPW-UHFFFAOYSA-N 0 3 322.840 2.243 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)C3=COCCC3)CC2)CC1 ZINC001000102382 634737596 /nfs/dbraw/zinc/73/75/96/634737596.db2.gz UNRJSJYPNOODPZ-UHFFFAOYSA-N 0 3 302.418 2.065 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001000093309 634739436 /nfs/dbraw/zinc/73/94/36/634739436.db2.gz VCEUSKMNUNWPCK-WBVHZDCISA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(F)ccc2OC)CC1 ZINC000948662157 634758489 /nfs/dbraw/zinc/75/84/89/634758489.db2.gz RQSAFGLGPXJWDB-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccoc3CC)CC2)CC1 ZINC001000133495 634762912 /nfs/dbraw/zinc/76/29/12/634762912.db2.gz NJDZTORPVQBCMF-UHFFFAOYSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)CC1 ZINC001000156643 634768167 /nfs/dbraw/zinc/76/81/67/634768167.db2.gz GSAMGSWTGVCJKD-ZWKOTPCHSA-N 0 3 323.440 2.179 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)C3(CF)CC3)C2)s1 ZINC001000162959 634772655 /nfs/dbraw/zinc/77/26/55/634772655.db2.gz WAQUYRXULJKTCR-GFCCVEGCSA-N 0 3 321.421 2.450 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc(CC)o3)CC2)CC1 ZINC001000188426 634783813 /nfs/dbraw/zinc/78/38/13/634783813.db2.gz BNBXRXRVUOOLAP-UHFFFAOYSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC[C@@H](C)c1ccccc1 ZINC000836269207 650073230 /nfs/dbraw/zinc/07/32/30/650073230.db2.gz ZMAPZUVQWOQETA-MRXNPFEDSA-N 0 3 301.434 2.435 20 30 DEEDHN C=CCC1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000836283747 650074980 /nfs/dbraw/zinc/07/49/80/650074980.db2.gz NHBNABVZHUCIQT-CVEARBPZSA-N 0 3 321.465 2.285 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001024706113 632936523 /nfs/dbraw/zinc/93/65/23/632936523.db2.gz SYPBGUQVIUQXBJ-MRXNPFEDSA-N 0 3 324.428 2.479 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001024733763 632956088 /nfs/dbraw/zinc/95/60/88/632956088.db2.gz NNTGXRGKDGRLAV-MRXNPFEDSA-N 0 3 324.428 2.479 20 30 DEEDHN Cc1cncc(CN[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)c1 ZINC000995796983 633118660 /nfs/dbraw/zinc/11/86/60/633118660.db2.gz JJTMSDCAMLXCRW-QGZVFWFLSA-N 0 3 311.429 2.130 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(C)(C)C1 ZINC000974618242 633177503 /nfs/dbraw/zinc/17/75/03/633177503.db2.gz NMYCKJJWQWQRQD-YYIAUSFCSA-N 0 3 300.446 2.439 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000996229865 633216489 /nfs/dbraw/zinc/21/64/89/633216489.db2.gz WPGQLFWYTDWRSZ-QAPCUYQASA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1OCC ZINC001028228086 635925844 /nfs/dbraw/zinc/92/58/44/635925844.db2.gz ITGACJIBJLAOER-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3c2CCCC3)C(C)(C)C1 ZINC000974674064 633226053 /nfs/dbraw/zinc/22/60/53/633226053.db2.gz HPMTYCRYWOKTTJ-QGZVFWFLSA-N 0 3 313.445 2.288 20 30 DEEDHN O=C(C#CC1CC1)N1CCC(NCc2c(F)cccc2F)CC1 ZINC000996384127 633252041 /nfs/dbraw/zinc/25/20/41/633252041.db2.gz VTLJGISDJMILCC-UHFFFAOYSA-N 0 3 318.367 2.459 20 30 DEEDHN Cc1nc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)cs1 ZINC000733681661 633262027 /nfs/dbraw/zinc/26/20/27/633262027.db2.gz YBOQHFHNVSZSJM-GFCCVEGCSA-N 0 3 314.370 2.127 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996561082 633284718 /nfs/dbraw/zinc/28/47/18/633284718.db2.gz GXFBPMPLLVGWOP-MRXNPFEDSA-N 0 3 302.393 2.007 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnc(O[C@@H](C)CC)c2)C1 ZINC001015963174 633289683 /nfs/dbraw/zinc/28/96/83/633289683.db2.gz LUYJRUJMAGRFLJ-HOCLYGCPSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(COC)c2)C(C)(C)C1 ZINC000974778502 633301717 /nfs/dbraw/zinc/30/17/17/633301717.db2.gz CAVAIHTUVKRRDS-KRWDZBQOSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccnc2C(F)F)C(C)(C)C1 ZINC000974799066 633310975 /nfs/dbraw/zinc/31/09/75/633310975.db2.gz RDZKABNFCQUCGG-CYBMUJFWSA-N 0 3 321.371 2.483 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C2CCOCC2)C(C)(C)C1 ZINC000974823209 633319008 /nfs/dbraw/zinc/31/90/08/633319008.db2.gz QDWRMGKPOJUXME-INIZCTEOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001026988205 633333717 /nfs/dbraw/zinc/33/37/17/633333717.db2.gz AGIKTMMAZGVDTK-HNNXBMFYSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3n[nH]cc32)C(C)(C)C1 ZINC000974891255 633358308 /nfs/dbraw/zinc/35/83/08/633358308.db2.gz OIYMFUUVOHBROF-MRXNPFEDSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](CNCc3nccn3C)C2)CC1 ZINC001027041434 633367915 /nfs/dbraw/zinc/36/79/15/633367915.db2.gz VNLWLOPAVITAAX-HNNXBMFYSA-N 0 3 316.449 2.105 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(C[C@@H](C)OC)CC2(C)C)cc1 ZINC000974929352 633372682 /nfs/dbraw/zinc/37/26/82/633372682.db2.gz IFSZJWBPTYJHHO-PBHICJAKSA-N 0 3 314.429 2.143 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001027055298 633381341 /nfs/dbraw/zinc/38/13/41/633381341.db2.gz AWYYZICTPPZNFB-CQSZACIVSA-N 0 3 315.392 2.246 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCCC2)cc1C ZINC000124444179 633384450 /nfs/dbraw/zinc/38/44/50/633384450.db2.gz GHTFWTNHXUJSAM-HNNXBMFYSA-N 0 3 300.358 2.014 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(OC)c2C)C(C)(C)C1 ZINC000975083863 633413368 /nfs/dbraw/zinc/41/33/68/633413368.db2.gz NJYVAFHNJBIOMU-KRWDZBQOSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996870467 633481330 /nfs/dbraw/zinc/48/13/30/633481330.db2.gz RLEOAOYWJZQNRT-UHFFFAOYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(N[C@H](C)c3cnccn3)CC2)C1 ZINC000996972916 633549541 /nfs/dbraw/zinc/54/95/41/633549541.db2.gz BBZWHEWLGVOPPN-CQSZACIVSA-N 0 3 314.433 2.475 20 30 DEEDHN COc1ccc(OC)c([C@H](O)CNCc2csc(C#N)c2)c1 ZINC000921515958 633576112 /nfs/dbraw/zinc/57/61/12/633576112.db2.gz VNGJCSKNHZIETG-OAHLLOKOSA-N 0 3 318.398 2.460 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(OC)ns2)CC1 ZINC000997098830 633576937 /nfs/dbraw/zinc/57/69/37/633576937.db2.gz WWWJOMUOCXYHCA-GFCCVEGCSA-N 0 3 321.446 2.005 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc3cc(C)ccn32)CC1 ZINC000997106444 633579369 /nfs/dbraw/zinc/57/93/69/633579369.db2.gz BYOLQNWQLPHYKS-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccn3c2CCCC3)CC1 ZINC000997141533 633624540 /nfs/dbraw/zinc/62/45/40/633624540.db2.gz FDVDTXQNHYTLSR-OAHLLOKOSA-N 0 3 313.445 2.288 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnc(C3CC3)o2)CC1 ZINC000997142497 633626924 /nfs/dbraw/zinc/62/69/24/633626924.db2.gz RUYBVTZKIUUFMJ-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027311083 633628682 /nfs/dbraw/zinc/62/86/82/633628682.db2.gz HRXRLAYNMDBHJP-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001027314322 633638716 /nfs/dbraw/zinc/63/87/16/633638716.db2.gz VIMCMUFZZUPFTP-KRWDZBQOSA-N 0 3 323.400 2.018 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc3cccn3cn2)CC1 ZINC000997171836 633661560 /nfs/dbraw/zinc/66/15/60/633661560.db2.gz WHKSSPCCFYBNMN-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027336132 633663227 /nfs/dbraw/zinc/66/32/27/633663227.db2.gz NTMIAZIOSFLTAA-RHSMWYFYSA-N 0 3 310.401 2.141 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ocnc2C2CC2)CC1 ZINC000997300395 633693873 /nfs/dbraw/zinc/69/38/73/633693873.db2.gz KCNIDPAISXORPW-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nn(C)c3ccccc32)CC1 ZINC000997394786 633753724 /nfs/dbraw/zinc/75/37/24/633753724.db2.gz CBVXHVLHNORMPL-CQSZACIVSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001027414510 633754397 /nfs/dbraw/zinc/75/43/97/633754397.db2.gz QVMDRZSNDMOYGB-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sc(Cl)nc2C)C1 ZINC001027428782 633771493 /nfs/dbraw/zinc/77/14/93/633771493.db2.gz CNXZGVKHSMJMFQ-LLVKDONJSA-N 0 3 311.838 2.275 20 30 DEEDHN CC[C@H](F)CN1CCC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000997548850 633856904 /nfs/dbraw/zinc/85/69/04/633856904.db2.gz COMUPLGQEBPBIA-JSGCOSHPSA-N 0 3 320.412 2.465 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001027487242 633875135 /nfs/dbraw/zinc/87/51/35/633875135.db2.gz ZVZYAPLBCYVZFQ-QGZVFWFLSA-N 0 3 314.429 2.102 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001027498285 633896035 /nfs/dbraw/zinc/89/60/35/633896035.db2.gz WYLUTRIOMOGKKB-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(CNCc2cc(C3CC3)no2)CC1 ZINC000997606880 633898432 /nfs/dbraw/zinc/89/84/32/633898432.db2.gz MFSSZUBNUQHKEV-LBPRGKRZSA-N 0 3 316.405 2.040 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ncc3ccccn32)CC1 ZINC000997672987 633924058 /nfs/dbraw/zinc/92/40/58/633924058.db2.gz JVGCBZAMPOFUJT-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2onc3c2CCCC3)CC1 ZINC000997672134 633925838 /nfs/dbraw/zinc/92/58/38/633925838.db2.gz FCYSPKWFEGRNLZ-ZDUSSCGKSA-N 0 3 315.417 2.017 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C(C)C)on2)CC1 ZINC000997692418 633935811 /nfs/dbraw/zinc/93/58/11/633935811.db2.gz JOVWNLAPCSQLFL-ZDUSSCGKSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c3ccccc3nn2C)C(C)(C)C1 ZINC000977418216 633978168 /nfs/dbraw/zinc/97/81/68/633978168.db2.gz JDZRDKDWERYTPZ-MRXNPFEDSA-N 0 3 324.428 2.037 20 30 DEEDHN N#CCCN[C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000425965502 636147441 /nfs/dbraw/zinc/14/74/41/636147441.db2.gz UASLMLGRCZONJE-ZIAGYGMSSA-N 0 3 311.385 2.487 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ncoc2C2CC2)CC1 ZINC000997824421 634001009 /nfs/dbraw/zinc/00/10/09/634001009.db2.gz OPXHWAOATQWZMC-LBPRGKRZSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000997855387 634010889 /nfs/dbraw/zinc/01/08/89/634010889.db2.gz ZMBBRDSZUBRYCF-LBPRGKRZSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncoc2-c2ccon2)C[C@@H]1C ZINC000947940485 634055486 /nfs/dbraw/zinc/05/54/86/634055486.db2.gz QQNSOJWYNFHZDU-RYUDHWBXSA-N 0 3 316.361 2.098 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC001027555658 634115332 /nfs/dbraw/zinc/11/53/32/634115332.db2.gz RAZRGSLNHVNHOF-MRXNPFEDSA-N 0 3 304.821 2.439 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2onc(C)c2C)CC1 ZINC000998035887 634118320 /nfs/dbraw/zinc/11/83/20/634118320.db2.gz HAPHTFRGPAXBNJ-OAHLLOKOSA-N 0 3 303.406 2.241 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998043929 634121156 /nfs/dbraw/zinc/12/11/56/634121156.db2.gz LHMUAJHXXNWBLR-MRXNPFEDSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ncc(F)cc2F)CC1 ZINC000998044324 634122724 /nfs/dbraw/zinc/12/27/24/634122724.db2.gz GOMIZOXEXBWOGD-CQSZACIVSA-N 0 3 321.371 2.310 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2[nH]c(C)nc2C)CC1 ZINC000998120407 634146863 /nfs/dbraw/zinc/14/68/63/634146863.db2.gz KWCJMIQGKKWYRL-INIZCTEOSA-N 0 3 316.449 2.366 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)c4ccoc4)[C@@H]3C2)c1 ZINC000977816408 634150426 /nfs/dbraw/zinc/15/04/26/634150426.db2.gz 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C#CCN(C)[C@H]1CCCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001027593186 634234003 /nfs/dbraw/zinc/23/40/03/634234003.db2.gz GRTQLVVZUAQISN-ZDUSSCGKSA-N 0 3 324.346 2.202 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2csc(C3CC3)n2)C1 ZINC001027604054 634262115 /nfs/dbraw/zinc/26/21/15/634262115.db2.gz NLNUOQFAWHWISA-HNNXBMFYSA-N 0 3 317.458 2.119 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sc(C)cc2OC)C1 ZINC001027602761 634265122 /nfs/dbraw/zinc/26/51/22/634265122.db2.gz DWWLLQQZLNSGIW-ZDUSSCGKSA-N 0 3 306.431 2.235 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2csc(C(C)C)n2)C1 ZINC001027617101 634301088 /nfs/dbraw/zinc/30/10/88/634301088.db2.gz RRTKHKXHIBKVKZ-CYBMUJFWSA-N 0 3 305.447 2.436 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2nc(C3CC3)oc2C)C1 ZINC001027633445 634344960 /nfs/dbraw/zinc/34/49/60/634344960.db2.gz MWFFUWIYORXXEM-AWEZNQCLSA-N 0 3 301.390 2.030 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001027882755 634855683 /nfs/dbraw/zinc/85/56/83/634855683.db2.gz UZBLULHYQOVGTA-OLZOCXBDSA-N 0 3 321.446 2.068 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027883267 634857632 /nfs/dbraw/zinc/85/76/32/634857632.db2.gz HZMARDCAORSJGD-INIZCTEOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)Cc3cnoc3)C[C@H]2C1 ZINC000980151582 634865047 /nfs/dbraw/zinc/86/50/47/634865047.db2.gz DDMIELZHAXQZTN-SOUVJXGZSA-N 0 3 323.824 2.186 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001027895605 634893431 /nfs/dbraw/zinc/89/34/31/634893431.db2.gz YSPKUUJHUAWPLG-ZDUSSCGKSA-N 0 3 304.438 2.478 20 30 DEEDHN CCC(=O)N1C[C@@H](CNCc2cc(F)ccc2C#N)C[C@H]1C ZINC000980253383 634916605 /nfs/dbraw/zinc/91/66/05/634916605.db2.gz AOQLIAZIEPTLLU-CHWSQXEVSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000980331061 634956650 /nfs/dbraw/zinc/95/66/50/634956650.db2.gz ONQLPWAPPPJBOT-LBPRGKRZSA-N 0 3 318.808 2.320 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC000980353763 634963222 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C#CCN1CC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000947719168 635148430 /nfs/dbraw/zinc/14/84/30/635148430.db2.gz IZOZKSFAYUCWLS-WMZOPIPTSA-N 0 3 323.440 2.279 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001027981586 635158185 /nfs/dbraw/zinc/15/81/85/635158185.db2.gz DDXRVYXKPFFTFC-AWEZNQCLSA-N 0 3 318.421 2.052 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001028018326 635259166 /nfs/dbraw/zinc/25/91/66/635259166.db2.gz RAJCSMAOHYHQSK-ZFWWWQNUSA-N 0 3 318.392 2.458 20 30 DEEDHN N#Cc1cc(C(=O)N2CCCN(CC3CC(F)(F)C3)CC2)c[nH]1 ZINC000981006299 635279291 /nfs/dbraw/zinc/27/92/91/635279291.db2.gz VDYKGCCCOSXELS-UHFFFAOYSA-N 0 3 322.359 2.080 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(CC)ncnc2CC)C[C@H]1C ZINC000947726190 635291667 /nfs/dbraw/zinc/29/16/67/635291667.db2.gz KDHNLUXJDQIWLP-ZIAGYGMSSA-N 0 3 316.449 2.370 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(OC)c(F)c2)CC1 ZINC001000797821 635303504 /nfs/dbraw/zinc/30/35/04/635303504.db2.gz CWSOCDAPQJIITE-UHFFFAOYSA-N 0 3 304.365 2.382 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(N(C)C)cc2F)CC1 ZINC001000778950 635307623 /nfs/dbraw/zinc/30/76/23/635307623.db2.gz UCMPNIWRQAGRAB-UHFFFAOYSA-N 0 3 317.408 2.440 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2c(F)cncc2F)CC1 ZINC000981254373 635410325 /nfs/dbraw/zinc/41/03/25/635410325.db2.gz METJOHQWBRJJLF-UHFFFAOYSA-N 0 3 309.360 2.474 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001028093293 635474605 /nfs/dbraw/zinc/47/46/05/635474605.db2.gz JPMGBKVVIYCOHC-HIFRSBDPSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2sccc2COC)CC1 ZINC001001371852 635479801 /nfs/dbraw/zinc/47/98/01/635479801.db2.gz PMKKWGVXVGWPFD-UHFFFAOYSA-N 0 3 306.431 2.442 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3c(cn2)CCCC3)CC1 ZINC001001605193 635530936 /nfs/dbraw/zinc/53/09/36/635530936.db2.gz YXVMTKDTCYKCJD-UHFFFAOYSA-N 0 3 311.429 2.035 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001028104701 635543022 /nfs/dbraw/zinc/54/30/22/635543022.db2.gz GQCAFSYIOATBGT-LBPRGKRZSA-N 0 3 310.319 2.321 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(Cl)n(C)n2)CC1 ZINC000981590911 635544033 /nfs/dbraw/zinc/54/40/33/635544033.db2.gz KQDJAAQCIYWFAR-UHFFFAOYSA-N 0 3 310.829 2.188 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(F)c(F)cc2F)CC1 ZINC001001787383 635552962 /nfs/dbraw/zinc/55/29/62/635552962.db2.gz YOFRNJZGPYCLEU-UHFFFAOYSA-N 0 3 310.319 2.179 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(C3CC3)nc2C)CC1 ZINC001001849561 635561190 /nfs/dbraw/zinc/56/11/90/635561190.db2.gz YEPLTEKOXDMMKL-UHFFFAOYSA-N 0 3 311.429 2.342 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC001001870221 635565942 /nfs/dbraw/zinc/56/59/42/635565942.db2.gz IMDBJTXHICMCAD-UHFFFAOYSA-N 0 3 310.319 2.179 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnc3ccccc3c2)CC1 ZINC001001886649 635568945 /nfs/dbraw/zinc/56/89/45/635568945.db2.gz DEKBCFXQKOEVFM-UHFFFAOYSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cn(CCC)nc2C)CC1 ZINC001001971088 635588304 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/nfs/dbraw/zinc/73/87/60/635738760.db2.gz NUGLGTDSESGWJB-MRXNPFEDSA-N 0 3 316.449 2.253 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028166978 635763029 /nfs/dbraw/zinc/76/30/29/635763029.db2.gz RPHWVNBAGQQTPA-KRWDZBQOSA-N 0 3 307.397 2.452 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CNC[C@@H]1CCCCS1(=O)=O ZINC000921985970 635785809 /nfs/dbraw/zinc/78/58/09/635785809.db2.gz VKFLNZCVTQQRFL-HNNXBMFYSA-N 0 3 306.431 2.232 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnc(C(C)C)nc1C ZINC001028184961 635788914 /nfs/dbraw/zinc/78/89/14/635788914.db2.gz QQISWIZEOXUBKU-HNNXBMFYSA-N 0 3 314.433 2.126 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CC34CC(OCC)C4)C2)C1 ZINC000982009170 635808460 /nfs/dbraw/zinc/80/84/60/635808460.db2.gz IGZFDSDVWCCJSJ-WUJZJPHMSA-N 0 3 318.461 2.302 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(OCC)c2)C1 ZINC001016344905 635836428 /nfs/dbraw/zinc/83/64/28/635836428.db2.gz WIUGLJXHUQCUHY-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000982139396 635885643 /nfs/dbraw/zinc/88/56/43/635885643.db2.gz VGWONVIDMHUHLG-UHFFFAOYSA-N 0 3 302.393 2.479 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cncc(F)c3)C[C@]2(C)C1 ZINC000982248679 635920779 /nfs/dbraw/zinc/92/07/79/635920779.db2.gz ZNNOIWLZBODKLQ-HDICACEKSA-N 0 3 315.392 2.028 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001028235112 635936785 /nfs/dbraw/zinc/93/67/85/635936785.db2.gz QHDVSVXBPKEZJD-AWEZNQCLSA-N 0 3 304.438 2.314 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001028249392 635958200 /nfs/dbraw/zinc/95/82/00/635958200.db2.gz SACKCRXGTWRIJJ-KRWDZBQOSA-N 0 3 313.445 2.449 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C1(C(C)C)CC1)CCO2 ZINC000949182613 635975531 /nfs/dbraw/zinc/97/55/31/635975531.db2.gz VJWOQEQTVCPPCL-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001028266328 635984711 /nfs/dbraw/zinc/98/47/11/635984711.db2.gz UIBNHXUSTAUXHF-GFCCVEGCSA-N 0 3 316.361 2.100 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1C ZINC001028329912 636133986 /nfs/dbraw/zinc/13/39/86/636133986.db2.gz VIEYSHANNXLUPX-CQSZACIVSA-N 0 3 318.417 2.392 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000922631742 636287299 /nfs/dbraw/zinc/28/72/99/636287299.db2.gz WPUCZDVDXHIQRY-IAGOWNOFSA-N 0 3 303.450 2.162 20 30 DEEDHN Cc1cc(Cl)ccc1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000124428014 636289259 /nfs/dbraw/zinc/28/92/59/636289259.db2.gz QNNILLATOLYUGL-ZDUSSCGKSA-N 0 3 320.776 2.359 20 30 DEEDHN C=C(C)CCNC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000922706187 636338464 /nfs/dbraw/zinc/33/84/64/636338464.db2.gz RTBOAXHQKVYGFG-OAHLLOKOSA-N 0 3 309.454 2.237 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2snc(Cl)c2Cl)C1 ZINC001028567237 636344281 /nfs/dbraw/zinc/34/42/81/636344281.db2.gz WSSDDAYDEUHYSH-QMMMGPOBSA-N 0 3 318.229 2.135 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cnc(C)nc3C)C[C@]2(C)C1 ZINC000982651859 636355650 /nfs/dbraw/zinc/35/56/50/636355650.db2.gz NMVIQFOBBJLLQI-HDICACEKSA-N 0 3 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C#CCN(C(=O)NCC1(C#N)CCCCC1)C1CCN(C)CC1 ZINC000923311730 637111259 /nfs/dbraw/zinc/11/12/59/637111259.db2.gz UVIFQGJGSTVLJQ-UHFFFAOYSA-N 0 3 316.449 2.199 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000894735190 637184336 /nfs/dbraw/zinc/18/43/36/637184336.db2.gz BBJSRMXTDVEQFD-IAGOWNOFSA-N 0 3 319.376 2.422 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc(C)nc2C)CC1 ZINC001006152083 637252668 /nfs/dbraw/zinc/25/26/68/637252668.db2.gz XWTABPHMIIIJPP-UHFFFAOYSA-N 0 3 302.422 2.206 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cccnc2OC(C)C)C1 ZINC001016438766 637319378 /nfs/dbraw/zinc/31/93/78/637319378.db2.gz YLANHLMQOMLGSO-CQSZACIVSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2nn(C)c3ccccc23)CC1 ZINC001006310675 637345370 /nfs/dbraw/zinc/34/53/70/637345370.db2.gz PQZSFSRMHMGMKH-UHFFFAOYSA-N 0 3 312.417 2.296 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000838622302 637613375 /nfs/dbraw/zinc/61/33/75/637613375.db2.gz CJLXLGNDMMHSCU-UHFFFAOYSA-N 0 3 317.389 2.271 20 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CC(=O)CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000755851091 639595857 /nfs/dbraw/zinc/59/58/57/639595857.db2.gz GULLHKJIMZIDIJ-GFCCVEGCSA-N 0 3 322.311 2.049 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)NCC(C)(C)C#N)cc1 ZINC000897356588 639625403 /nfs/dbraw/zinc/62/54/03/639625403.db2.gz YMJPVBHFBPGWMF-HNNXBMFYSA-N 0 3 303.406 2.400 20 30 DEEDHN CCC(=O)N1CC[C@@H](NCc2cc(C#N)ccc2OC)[C@H]1C ZINC000985834129 639658468 /nfs/dbraw/zinc/65/84/68/639658468.db2.gz ANAIIXANSBJCOE-IUODEOHRSA-N 0 3 301.390 2.056 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1CCN(C(=O)C2CC2)[C@@H]1C ZINC000985854265 639666083 /nfs/dbraw/zinc/66/60/83/639666083.db2.gz CTSMDZXUQPABLM-WBMJQRKESA-N 0 3 313.401 2.056 20 30 DEEDHN C#CCNC(=O)CN[C@](C)(Cc1ccccc1)c1ccccc1 ZINC000839681224 639805190 /nfs/dbraw/zinc/80/51/90/639805190.db2.gz QXYUHURHURRCQS-HXUWFJFHSA-N 0 3 306.409 2.484 20 30 DEEDHN CCc1nocc1CN(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001029946267 639920326 /nfs/dbraw/zinc/92/03/26/639920326.db2.gz JUAZKTGFTWDUCN-CYBMUJFWSA-N 0 3 318.421 2.067 20 30 DEEDHN Cc1noc(C)c1CN(C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001029946390 639921526 /nfs/dbraw/zinc/92/15/26/639921526.db2.gz LLBJVJKFEBJZEP-LBPRGKRZSA-N 0 3 318.421 2.122 20 30 DEEDHN Cc1cc(CN(C)CC2CCN(C(=O)[C@@H](C)C#N)CC2)sn1 ZINC001029947657 639921920 /nfs/dbraw/zinc/92/19/20/639921920.db2.gz FSKNOIKKMZRGGV-LBPRGKRZSA-N 0 3 320.462 2.282 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cn1 ZINC000758201434 639926988 /nfs/dbraw/zinc/92/69/88/639926988.db2.gz LVCAASKZJXFPBM-BEFAXECRSA-N 0 3 319.408 2.456 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](NCc3ccnn3C)[C@H]2C)CC1 ZINC000986853516 640000066 /nfs/dbraw/zinc/00/00/66/640000066.db2.gz LEJDMDNXYNDJEA-PBHICJAKSA-N 0 3 316.449 2.246 20 30 DEEDHN COCCO[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000760967228 640250039 /nfs/dbraw/zinc/25/00/39/640250039.db2.gz DGBDIFSQDUZZKP-QGZVFWFLSA-N 0 3 304.390 2.216 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCc1cccc(Br)c1 ZINC000761046026 640258614 /nfs/dbraw/zinc/25/86/14/640258614.db2.gz 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C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC000989379946 640832556 /nfs/dbraw/zinc/83/25/56/640832556.db2.gz KQXJZPMFRTZTDS-UKRRQHHQSA-N 0 3 309.413 2.231 20 30 DEEDHN CO[C@@H]1CCOC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000897891950 640965590 /nfs/dbraw/zinc/96/55/90/640965590.db2.gz ZJVZXBUGRHPJSJ-IAGOWNOFSA-N 0 3 304.390 2.263 20 30 DEEDHN N#Cc1ccc(CN2CCCN(CCC(=O)C3CC3)CC2)cc1 ZINC000767345675 640967860 /nfs/dbraw/zinc/96/78/60/640967860.db2.gz CLSSTEUFRJXZSM-UHFFFAOYSA-N 0 3 311.429 2.435 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnn(C)c2C(F)F)CC1 ZINC000989451078 641015423 /nfs/dbraw/zinc/01/54/23/641015423.db2.gz BNFFVGQUPJUCFC-UHFFFAOYSA-N 0 3 312.364 2.082 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)cc3cccnc32)C1 ZINC000989515855 641133204 /nfs/dbraw/zinc/13/32/04/641133204.db2.gz XALMVCZAUMSZFR-DOMZBBRYSA-N 0 3 311.360 2.200 20 30 DEEDHN CC(C)(C)OCC(=N)NOCc1c(C#N)cccc1[N+](=O)[O-] ZINC000842041000 650633226 /nfs/dbraw/zinc/63/32/26/650633226.db2.gz UKABJKTUMCQUBB-UHFFFAOYSA-N 0 3 306.322 2.280 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(N3CCCC3)c2)C1 ZINC000989605100 641166675 /nfs/dbraw/zinc/16/66/75/641166675.db2.gz IHBXSWZZDBQISG-RDJZCZTQSA-N 0 3 311.429 2.113 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3nc(C)sc3c2)C1 ZINC000989644619 641178500 /nfs/dbraw/zinc/17/85/00/641178500.db2.gz YUSFWDGYERGMRW-SMDDNHRTSA-N 0 3 313.426 2.431 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000989748527 641212461 /nfs/dbraw/zinc/21/24/61/641212461.db2.gz JYHIOTZZJJLPIZ-ZJUUUORDSA-N 0 3 312.747 2.444 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cccc(F)c3o2)C1 ZINC000989822063 641243142 /nfs/dbraw/zinc/24/31/42/641243142.db2.gz BBMAEZUSTZZVEB-DGCLKSJQSA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(OC(C)C)c2)C1 ZINC000989842042 641250640 /nfs/dbraw/zinc/25/06/40/641250640.db2.gz PPJJUBUZZOIMFZ-NVXWUHKLSA-N 0 3 314.429 2.229 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc(CC(C)C)s2)C1 ZINC000989847159 641253792 /nfs/dbraw/zinc/25/37/92/641253792.db2.gz FSIGTVKVDRTOGX-OLZOCXBDSA-N 0 3 305.447 2.167 20 30 DEEDHN CC(C)C(=O)N1CCC(NCc2cc(F)ccc2C#N)CC1 ZINC000989964428 641310130 /nfs/dbraw/zinc/31/01/30/641310130.db2.gz AYHINLFCMXTVHT-UHFFFAOYSA-N 0 3 303.381 2.434 20 30 DEEDHN CN(C)C1(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)CCC1 ZINC000770027573 641323576 /nfs/dbraw/zinc/32/35/76/641323576.db2.gz QSHHDEGZADDPDD-UHFFFAOYSA-N 0 3 323.400 2.049 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(NCc2cc(O)ccc2Cl)CC1 ZINC000990313756 641441686 /nfs/dbraw/zinc/44/16/86/641441686.db2.gz IRIMAFYTEQSMQX-NSHDSACASA-N 0 3 321.808 2.286 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC000773036188 641720320 /nfs/dbraw/zinc/72/03/20/641720320.db2.gz XYCROBJRFRDMQC-CXHZTBPHSA-N 0 3 312.413 2.359 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000842283836 650692573 /nfs/dbraw/zinc/69/25/73/650692573.db2.gz FYRCEXAVFKBCSR-ZFWWWQNUSA-N 0 3 318.421 2.319 20 30 DEEDHN CC1(C)C[C@@H](C(=O)C(C#N)C(=O)NC2CC2)c2ccccc2O1 ZINC000842288455 650694865 /nfs/dbraw/zinc/69/48/65/650694865.db2.gz FTACGDWCZIRTLJ-ZIAGYGMSSA-N 0 3 312.369 2.319 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000842342563 650714326 /nfs/dbraw/zinc/71/43/26/650714326.db2.gz MFEZOCGLMSOJDS-FZMZJTMJSA-N 0 3 324.327 2.105 20 30 DEEDHN CN(C)[C@H](CNC(=O)c1cccc(C#CCO)c1)c1ccccc1 ZINC000899942976 642217988 /nfs/dbraw/zinc/21/79/88/642217988.db2.gz UTWOQDXZSNWTIQ-LJQANCHMSA-N 0 3 322.408 2.063 20 30 DEEDHN Cc1cc(Br)cc(C=NNC(=N)N)c1OC(F)F ZINC000777882282 642317847 /nfs/dbraw/zinc/31/78/47/642317847.db2.gz QVHGQFXHUUHQGH-UHFFFAOYSA-N 0 3 321.125 2.176 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000900630061 642428242 /nfs/dbraw/zinc/42/82/42/642428242.db2.gz GSPLOQAJSDIOBZ-BOLDSZDNSA-N 0 3 300.402 2.192 20 30 DEEDHN CNC(=O)C1(NCc2ccc(O[C@H](C)C#N)cc2)CCCC1 ZINC000779177138 642470017 /nfs/dbraw/zinc/47/00/17/642470017.db2.gz XGLNJMRPTKCGPY-CYBMUJFWSA-N 0 3 301.390 2.126 20 30 DEEDHN N#CCc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000779457132 642502532 /nfs/dbraw/zinc/50/25/32/642502532.db2.gz YYQSBMYMIOCGEG-QGZVFWFLSA-N 0 3 323.396 2.453 20 30 DEEDHN C[C@H]1CNC(NN=C2CCc3cc(Br)ccc3C2)=N1 ZINC000779802937 642541900 /nfs/dbraw/zinc/54/19/00/642541900.db2.gz LCYKGCPYMRVOIE-VIFPVBQESA-N 0 3 321.222 2.231 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3Cc4ccccc4O3)CCC[C@H]12 ZINC000990871218 642561836 /nfs/dbraw/zinc/56/18/36/642561836.db2.gz OKNPBEPTQVDWFH-IMFGXOCKSA-N 0 3 324.424 2.127 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000783300640 642994333 /nfs/dbraw/zinc/99/43/33/642994333.db2.gz OQHQSPGIUYRNCL-GJZGRUSLSA-N 0 3 316.405 2.489 20 30 DEEDHN Cc1nn(-c2ccncc2)cc1C=NNc1cc(C)nc(C)n1 ZINC000783827250 643059118 /nfs/dbraw/zinc/05/91/18/643059118.db2.gz KXPUZUVDHJBYCX-UHFFFAOYSA-N 0 3 307.361 2.429 20 30 DEEDHN C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cc(C#N)ccn1 ZINC000902751854 643132032 /nfs/dbraw/zinc/13/20/32/643132032.db2.gz 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/nfs/dbraw/zinc/38/12/58/643381258.db2.gz GZMVLWWTQZRPGK-ZIAGYGMSSA-N 0 3 320.776 2.234 20 30 DEEDHN C=CCCOCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786537342 643381685 /nfs/dbraw/zinc/38/16/85/643381685.db2.gz INORLFPXQVOTAB-AWEZNQCLSA-N 0 3 320.776 2.258 20 30 DEEDHN COCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786548130 643383280 /nfs/dbraw/zinc/38/32/80/643383280.db2.gz HSMXDFMNAFBQKX-HNNXBMFYSA-N 0 3 302.374 2.137 20 30 DEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786560908 643385431 /nfs/dbraw/zinc/38/54/31/643385431.db2.gz SJCGHGBKPDJYCD-GXFFZTMASA-N 0 3 324.327 2.105 20 30 DEEDHN COCCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786567160 643386044 /nfs/dbraw/zinc/38/60/44/643386044.db2.gz AJSQSSNVTUBPHF-GFCCVEGCSA-N 0 3 324.327 2.107 20 30 DEEDHN C=CCN1CCC(NC(=O)NC(C)(C)C2CCOCC2)CC1 ZINC000787202783 643464057 /nfs/dbraw/zinc/46/40/57/643464057.db2.gz VDHRUNFLEWLODX-UHFFFAOYSA-N 0 3 309.454 2.141 20 30 DEEDHN CCCCCCN([O-])C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000904207207 643597850 /nfs/dbraw/zinc/59/78/50/643597850.db2.gz VKSJKUNTQVFXKC-CVEARBPZSA-N 0 3 322.453 2.254 20 30 DEEDHN CCCCCCN([O-])C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000904207207 643597852 /nfs/dbraw/zinc/59/78/52/643597852.db2.gz VKSJKUNTQVFXKC-CVEARBPZSA-N 0 3 322.453 2.254 20 30 DEEDHN CCCCCCN(O)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000904207207 643597857 /nfs/dbraw/zinc/59/78/57/643597857.db2.gz VKSJKUNTQVFXKC-CVEARBPZSA-N 0 3 322.453 2.254 20 30 DEEDHN CCCCN([O-])C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904214646 643612373 /nfs/dbraw/zinc/61/23/73/643612373.db2.gz IBOIMUAFNQBPBZ-HOTGVXAUSA-N 0 3 322.453 2.252 20 30 DEEDHN CCCCN([O-])C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904214646 643612376 /nfs/dbraw/zinc/61/23/76/643612376.db2.gz IBOIMUAFNQBPBZ-HOTGVXAUSA-N 0 3 322.453 2.252 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=S)NC1(C)CC1 ZINC000789188234 643695644 /nfs/dbraw/zinc/69/56/44/643695644.db2.gz GWZXLKDVIGANSM-UHFFFAOYSA-N 0 3 316.474 2.349 20 30 DEEDHN CC1/C(=C/c2cc(F)c(N(C)C)cc2F)C(=O)c2ncnn21 ZINC000905086106 643779530 /nfs/dbraw/zinc/77/95/30/643779530.db2.gz RDWRVDLZDYQVLB-HDPPJLHVSA-N 0 3 304.300 2.463 20 30 DEEDHN C[C@H](NN=C1c2ccccc2N(CCN(C)C)C1=O)C(C)(C)C ZINC000793110791 644192185 /nfs/dbraw/zinc/19/21/85/644192185.db2.gz CCEOKDAOEKOFEB-ZDUSSCGKSA-N 0 3 316.449 2.323 20 30 DEEDHN C=CCN1CCC(NC(=O)c2[nH]nc(C)c2C(F)(F)F)CC1 ZINC000906592055 644285758 /nfs/dbraw/zinc/28/57/58/644285758.db2.gz KCAXSBKGUBFYSU-UHFFFAOYSA-N 0 3 316.327 2.117 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906971054 644403689 /nfs/dbraw/zinc/40/36/89/644403689.db2.gz HTWZPWXMLCYWMC-ZLDVSBEESA-N 0 3 301.434 2.305 20 30 DEEDHN Cc1ccccc1[C@@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000794830972 644481450 /nfs/dbraw/zinc/48/14/50/644481450.db2.gz AVNNVDUFGAOESS-AEFFLSMTSA-N 0 3 323.396 2.448 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)N[C@@H](C[C@H](C)CC)C2=O)CC1 ZINC000843312110 650947321 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ZINC001099106765 782189033 /nfs/dbraw/zinc/18/90/33/782189033.db2.gz OBOWGJUVMGWOJS-INIZCTEOSA-N 0 3 318.465 2.064 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908571143 644912639 /nfs/dbraw/zinc/91/26/39/644912639.db2.gz CMIMQFAMSPLUMV-UHFFFAOYSA-N 0 3 300.406 2.285 20 30 DEEDHN C#Cc1cncc(C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000798157935 644973775 /nfs/dbraw/zinc/97/37/75/644973775.db2.gz PBLRDJJGQNZJDR-UHFFFAOYSA-N 0 3 307.397 2.267 20 30 DEEDHN CCN1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)[C@@H](C)C1 ZINC000910286446 645389619 /nfs/dbraw/zinc/38/96/19/645389619.db2.gz ITUHELPBBQLDHM-GJZGRUSLSA-N 0 3 315.417 2.268 20 30 DEEDHN COc1ccc(C#N)cc1COC(=O)C1CCN(C2CC2)CC1 ZINC000801873818 645455689 /nfs/dbraw/zinc/45/56/89/645455689.db2.gz ZUAFRGWONFIRPO-UHFFFAOYSA-N 0 3 314.385 2.484 20 30 DEEDHN C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000801932321 645464086 /nfs/dbraw/zinc/46/40/86/645464086.db2.gz KJBYEOWQCGJXST-GOEBONIOSA-N 0 3 304.390 2.302 20 30 DEEDHN C[C@@H](C#N)OCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000801932321 645464087 /nfs/dbraw/zinc/46/40/87/645464087.db2.gz KJBYEOWQCGJXST-GOEBONIOSA-N 0 3 304.390 2.302 20 30 DEEDHN C[C@H](C#N)OCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000801932324 645464952 /nfs/dbraw/zinc/46/49/52/645464952.db2.gz KJBYEOWQCGJXST-ZBFHGGJFSA-N 0 3 304.390 2.302 20 30 DEEDHN C[C@H](C#N)OCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000801932324 645464955 /nfs/dbraw/zinc/46/49/55/645464955.db2.gz KJBYEOWQCGJXST-ZBFHGGJFSA-N 0 3 304.390 2.302 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)[C@@]3(C#N)CC4CCC3CC4)[C@@H]2C1 ZINC000911301955 645673359 /nfs/dbraw/zinc/67/33/59/645673359.db2.gz FJVBOKZYXOJYKZ-ZHRYKIPPSA-N 0 3 301.434 2.259 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000911633760 645766325 /nfs/dbraw/zinc/76/63/25/645766325.db2.gz WPCGJXAMNCFSET-VIFPVBQESA-N 0 3 303.284 2.428 20 30 DEEDHN C#CCSCCNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000806845096 645878943 /nfs/dbraw/zinc/87/89/43/645878943.db2.gz HGQYVDYPJKYINJ-ZIAGYGMSSA-N 0 3 323.462 2.374 20 30 DEEDHN C=CCNC(=O)c1ccccc1NC(=O)[C@@H](N)C[C@H](C)CC ZINC000912035827 645913377 /nfs/dbraw/zinc/91/33/77/645913377.db2.gz CEMPKHHBWRNIRT-OCCSQVGLSA-N 0 3 303.406 2.304 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000807193386 645922439 /nfs/dbraw/zinc/92/24/39/645922439.db2.gz WOSIMLFXOKHRAQ-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000807402243 645946109 /nfs/dbraw/zinc/94/61/09/645946109.db2.gz DOEAEZKNFDFDIN-WMZOPIPTSA-N 0 3 311.429 2.346 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(NC(=O)CC)c1 ZINC000912292217 646010787 /nfs/dbraw/zinc/01/07/87/646010787.db2.gz AFPBWMDDBIVQTF-OAHLLOKOSA-N 0 3 303.406 2.335 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000912380327 646039943 /nfs/dbraw/zinc/03/99/43/646039943.db2.gz FFKPEGVSZALOKM-CYBMUJFWSA-N 0 3 324.808 2.411 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3nc(C)sc3C)CCC[C@@H]12 ZINC000991386605 646087229 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C=CCN1CCC[C@H](NC(=O)Cc2c(CC)noc2CC)[C@H]1C ZINC000993448614 647670958 /nfs/dbraw/zinc/67/09/58/647670958.db2.gz FSQRKDYDPKLOJP-CJNGLKHVSA-N 0 3 319.449 2.497 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H]1C ZINC000993460963 647677620 /nfs/dbraw/zinc/67/76/20/647677620.db2.gz CHGZFUVUKOBGGG-DZGCQCFKSA-N 0 3 304.438 2.060 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C(F)F)ncn2)[C@@H]1C ZINC000993495724 647680452 /nfs/dbraw/zinc/68/04/52/647680452.db2.gz WOHPHTWRTXNPQH-RYUDHWBXSA-N 0 3 322.359 2.020 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3ncn(C)c32)[C@@H]1C ZINC000993513417 647694016 /nfs/dbraw/zinc/69/40/16/647694016.db2.gz PLOOXUDBKKUVCL-HOCLYGCPSA-N 0 3 324.428 2.179 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2c(C)cc(=O)oc2C)[C@H]1C ZINC000993560285 647700674 /nfs/dbraw/zinc/70/06/74/647700674.db2.gz HSESOALIFUFUHN-OCCSQVGLSA-N 0 3 304.390 2.025 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2c(F)cccc2F)[C@H]1C ZINC000993707664 647727780 /nfs/dbraw/zinc/72/77/80/647727780.db2.gz 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/nfs/dbraw/zinc/75/46/99/647754699.db2.gz WAVLVFVHPCXQKM-UHFFFAOYSA-N 0 3 314.393 2.165 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnnc3ccccc32)[C@@H]1C ZINC000993867216 647761751 /nfs/dbraw/zinc/76/17/51/647761751.db2.gz XJMPWMMVNLTOLW-WMLDXEAASA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccn3ccnc23)[C@H]1C ZINC000993982734 647773239 /nfs/dbraw/zinc/77/32/39/647773239.db2.gz GLMGUQWMESRGCM-ZBFHGGJFSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H]1C ZINC000994003959 647776586 /nfs/dbraw/zinc/77/65/86/647776586.db2.gz BJMZIMIVQOBWDF-XJKSGUPXSA-N 0 3 302.422 2.252 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@H]1C ZINC000994138857 647800387 /nfs/dbraw/zinc/80/03/87/647800387.db2.gz SETDCOGMMDYZNY-GDBMZVCRSA-N 0 3 318.465 2.243 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CC3CC3)c2)[C@H]1C ZINC000994190055 647803405 /nfs/dbraw/zinc/80/34/05/647803405.db2.gz OUZDQSOQLDVCQP-PBHICJAKSA-N 0 3 316.449 2.452 20 30 DEEDHN 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C#CCN1CC[C@H](NC(=O)c2cccc3cnccc32)[C@@H](C)C1 ZINC000944920577 649587071 /nfs/dbraw/zinc/58/70/71/649587071.db2.gz UPLAYKWRMAXLPY-KSSFIOAISA-N 0 3 307.397 2.308 20 30 DEEDHN CC[C@](C)(CC(=O)OC)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844310992 651109329 /nfs/dbraw/zinc/10/93/29/651109329.db2.gz XNNZGCRAYFUFFH-OAHLLOKOSA-N 0 3 305.334 2.288 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC2(CCc3ccccc3C2)CC1 ZINC000844350297 651115804 /nfs/dbraw/zinc/11/58/04/651115804.db2.gz DSKJZYRAFWQXNG-MRXNPFEDSA-N 0 3 310.441 2.395 20 30 DEEDHN C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000845627684 651263277 /nfs/dbraw/zinc/26/32/77/651263277.db2.gz IMLGPLZKBCFDQJ-GOEBONIOSA-N 0 3 303.406 2.408 20 30 DEEDHN C#C[C@H]1CCCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000847266059 651385441 /nfs/dbraw/zinc/38/54/41/651385441.db2.gz LBIRLTJTSORRHJ-WMZOPIPTSA-N 0 3 313.445 2.214 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccccc1F ZINC000109038401 651796203 /nfs/dbraw/zinc/79/62/03/651796203.db2.gz 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/nfs/dbraw/zinc/23/87/57/652238757.db2.gz QVVCEBVBELQTLC-KRWDZBQOSA-N 0 3 300.402 2.452 20 30 DEEDHN N#Cc1cc(F)ccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000852009603 652311119 /nfs/dbraw/zinc/31/11/19/652311119.db2.gz NDBLUTWDZAYPGX-SFHVURJKSA-N 0 3 317.408 2.384 20 30 DEEDHN CNC(=O)OC[C@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC000852052223 652325804 /nfs/dbraw/zinc/32/58/04/652325804.db2.gz NZHGDVQFTXUQDI-MRXNPFEDSA-N 0 3 301.390 2.311 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852098615 652337902 /nfs/dbraw/zinc/33/79/02/652337902.db2.gz RJBXCWHCQYHDEJ-SFHVURJKSA-N 0 3 301.434 2.103 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)CCOc1ccccc1F ZINC000852102718 652339873 /nfs/dbraw/zinc/33/98/73/652339873.db2.gz ORDFUFGMUILGBY-KRWDZBQOSA-N 0 3 306.381 2.054 20 30 DEEDHN C#C[C@@](C)(CC)NCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000852105732 652340467 /nfs/dbraw/zinc/34/04/67/652340467.db2.gz ZUYZVHTWBGCLNF-INIZCTEOSA-N 0 3 306.431 2.019 20 30 DEEDHN CC(C)[C@H](NCC(=O)NCCC#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852732172 652446334 /nfs/dbraw/zinc/44/63/34/652446334.db2.gz RNNRRBBQMUWNOV-HOTGVXAUSA-N 0 3 323.824 2.017 20 30 DEEDHN Cc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)cc(C#N)c1[N+](=O)[O-] ZINC000853242911 652528725 /nfs/dbraw/zinc/52/87/25/652528725.db2.gz ZMMZSOGFTHBUPF-CABCVRRESA-N 0 3 316.361 2.050 20 30 DEEDHN Cn1ncc(C2CCC2)c1C=NNc1ccc(-n2ccnc2)nn1 ZINC000853339220 652539599 /nfs/dbraw/zinc/53/95/99/652539599.db2.gz KBPOFHQEPWCWOP-UHFFFAOYSA-N 0 3 322.376 2.109 20 30 DEEDHN C=CCC1(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000853683883 652589193 /nfs/dbraw/zinc/58/91/93/652589193.db2.gz XRCZOQHBUFTDOU-CABCVRRESA-N 0 3 307.438 2.038 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001356363052 1152077005 /nfs/dbraw/zinc/07/70/05/1152077005.db2.gz FFTNFQXEWJQRMF-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CN(CCCc2ccsc2)C1 ZINC001394221317 1158380879 /nfs/dbraw/zinc/38/08/79/1158380879.db2.gz SUCULWRTJCTLKK-CHWSQXEVSA-N 0 3 305.447 2.277 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC=CCC1 ZINC001356555894 1152089580 /nfs/dbraw/zinc/08/95/80/1152089580.db2.gz COAWRWXVOHCINM-OAHLLOKOSA-N 0 3 301.438 2.430 20 30 DEEDHN CC(=O)N[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000048787658 683918740 /nfs/dbraw/zinc/91/87/40/683918740.db2.gz ZDVLJPWSUVUZLP-STQMWFEESA-N 0 3 305.403 2.323 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCCO2)cc1 ZINC000120104738 684092478 /nfs/dbraw/zinc/09/24/78/684092478.db2.gz XMHLOURPFQJJSL-HUUCEWRRSA-N 0 3 316.357 2.302 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000129378131 684178812 /nfs/dbraw/zinc/17/88/12/684178812.db2.gz PNTWCDRACRGOKZ-YNEHKIRRSA-N 0 3 320.414 2.022 20 30 DEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1F ZINC000130907286 684194169 /nfs/dbraw/zinc/19/41/69/684194169.db2.gz WQPYXMHZBRCBMN-GFCCVEGCSA-N 0 3 306.337 2.000 20 30 DEEDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000155530592 684274828 /nfs/dbraw/zinc/27/48/28/684274828.db2.gz VIMBTPWWTHDKHE-RHSMWYFYSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC001054102367 693845687 /nfs/dbraw/zinc/84/56/87/693845687.db2.gz MQYHTEFUHJXYLZ-QAPCUYQASA-N 0 3 312.417 2.056 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1[nH]ccc1C1CC1)C2 ZINC001054143450 693860667 /nfs/dbraw/zinc/86/06/67/693860667.db2.gz VIWPXTJYOUBQKI-IBGZPJMESA-N 0 3 311.429 2.453 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@]1(C)C[C@H]3C[C@H]3C1)C2 ZINC001054169106 693869145 /nfs/dbraw/zinc/86/91/45/693869145.db2.gz PHJGYLBDUZVXRY-UKBAYJJMSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(OC)o1)C2 ZINC001054218625 693886335 /nfs/dbraw/zinc/88/63/35/693886335.db2.gz XWABBEMDKCFTHV-SFHVURJKSA-N 0 3 316.401 2.240 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1scnc1Cl)C2 ZINC001054241256 693896133 /nfs/dbraw/zinc/89/61/33/693896133.db2.gz OHJXSGVBLAABST-HNNXBMFYSA-N 0 3 323.849 2.358 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccccc1OC ZINC000193370532 685038960 /nfs/dbraw/zinc/03/89/60/685038960.db2.gz DGMQSHIXRQFAIR-CQSZACIVSA-N 0 3 302.374 2.253 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1OCC ZINC000193458515 685041237 /nfs/dbraw/zinc/04/12/37/685041237.db2.gz FOSKVGIPRSMASZ-JMSVASOKSA-N 0 3 316.357 2.158 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000929272200 693928064 /nfs/dbraw/zinc/92/80/64/693928064.db2.gz YUTXIIQHQTUULJ-PBHICJAKSA-N 0 3 300.402 2.496 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000860012053 685870483 /nfs/dbraw/zinc/87/04/83/685870483.db2.gz OYXVTEUTHJPOQF-CXAGYDPISA-N 0 3 311.429 2.435 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000860461255 685929376 /nfs/dbraw/zinc/92/93/76/685929376.db2.gz HFEQKAFQPRROPQ-BFHYXJOUSA-N 0 3 320.414 2.103 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)C12CC(C1)C2 ZINC000860692310 685951685 /nfs/dbraw/zinc/95/16/85/685951685.db2.gz FOSPYEZYOQSRIF-NOEPWBJOSA-N 0 3 304.296 2.090 20 30 DEEDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2cccc(CC#N)c2)C1 ZINC000861344072 686049252 /nfs/dbraw/zinc/04/92/52/686049252.db2.gz MXWSGFQOASAVPZ-NVXWUHKLSA-N 0 3 302.374 2.019 20 30 DEEDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000861350460 686054281 /nfs/dbraw/zinc/05/42/81/686054281.db2.gz ZGBISGIPGJOVND-XJKSGUPXSA-N 0 3 322.792 2.478 20 30 DEEDHN COc1ccc(CN2CCC(=NNc3ccnc(C)c3)C2=O)cc1 ZINC000863161203 686439802 /nfs/dbraw/zinc/43/98/02/686439802.db2.gz ZBEUGLCEZIJVJA-UHFFFAOYSA-N 0 3 324.384 2.021 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cccc(OC)n2)C1 ZINC001054977028 694087790 /nfs/dbraw/zinc/08/77/90/694087790.db2.gz SIVQKKBZZITZTL-HIFRSBDPSA-N 0 3 317.433 2.239 20 30 DEEDHN C=C(C)C[C@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)N(C)C)C1=O ZINC000865298562 687170317 /nfs/dbraw/zinc/17/03/17/687170317.db2.gz HALMCYQXUTXTME-CVEARBPZSA-N 0 3 315.417 2.484 20 30 DEEDHN C=C(Cl)C[C@@H]1NC(=O)N(CCN(C)Cc2ccccc2)C1=O ZINC000865301818 687171874 /nfs/dbraw/zinc/17/18/74/687171874.db2.gz PNTRACFGQNIMIR-AWEZNQCLSA-N 0 3 321.808 2.181 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)N[C@@H](CC(=C)Cl)C2=O)CC1 ZINC000865302825 687172290 /nfs/dbraw/zinc/17/22/90/687172290.db2.gz VOTGYUXRIHAXNB-ZDUSSCGKSA-N 0 3 311.813 2.090 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCCC(=O)N1CCCCC1 ZINC000865417543 687203920 /nfs/dbraw/zinc/20/39/20/687203920.db2.gz OQAWOROVBAXMPD-UHFFFAOYSA-N 0 3 314.433 2.116 20 30 DEEDHN Cc1cc(NC2CCN(c3ccccc3C#N)CC2)nc(N)n1 ZINC000866046017 687421545 /nfs/dbraw/zinc/42/15/45/687421545.db2.gz ROWQZCYCRQJACB-UHFFFAOYSA-N 0 3 308.389 2.320 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001015802845 687427832 /nfs/dbraw/zinc/42/78/32/687427832.db2.gz LXCCSYOWAILNSF-CYBMUJFWSA-N 0 3 322.478 2.288 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001015843544 687438912 /nfs/dbraw/zinc/43/89/12/687438912.db2.gz OQPWRMXPSHSBTI-YLJYHZDGSA-N 0 3 310.441 2.494 20 30 DEEDHN CN1CCN(C2CCN(c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000866214394 687495656 /nfs/dbraw/zinc/49/56/56/687495656.db2.gz ODUSSJURQWLKJI-UHFFFAOYSA-N 0 3 318.852 2.428 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000930270815 694124423 /nfs/dbraw/zinc/12/44/23/694124423.db2.gz SOBZVARHBNVYQH-KDOFPFPSSA-N 0 3 312.413 2.496 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000930272219 694124972 /nfs/dbraw/zinc/12/49/72/694124972.db2.gz ZAPLJBZXYBJSCG-UHFFFAOYSA-N 0 3 313.401 2.282 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001016406324 687612978 /nfs/dbraw/zinc/61/29/78/687612978.db2.gz PDFCLTBBCIHFHA-KRWDZBQOSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCC[C@H](C)NCc1c(I)cnn1C ZINC000866631362 687633569 /nfs/dbraw/zinc/63/35/69/687633569.db2.gz MNOLWSCITLDAFF-VIFPVBQESA-N 0 3 319.190 2.469 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001016655463 687675725 /nfs/dbraw/zinc/67/57/25/687675725.db2.gz XYARZIJIHVZGNX-ZIAGYGMSSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3nc(C)oc3c2)CC1 ZINC001016668360 687678938 /nfs/dbraw/zinc/67/89/38/687678938.db2.gz VQARLVIRIYACAY-KRWDZBQOSA-N 0 3 323.396 2.354 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001016688172 687682284 /nfs/dbraw/zinc/68/22/84/687682284.db2.gz OUXGTYAPPLYJKT-XHSDSOJGSA-N 0 3 314.454 2.456 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc(C)cc(C)n2)CC1 ZINC001016701887 687684898 /nfs/dbraw/zinc/68/48/98/687684898.db2.gz FWTUHWPJMCVITM-QGZVFWFLSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccn3ccccc23)CC1 ZINC001016726233 687691134 /nfs/dbraw/zinc/69/11/34/687691134.db2.gz MCCHQWIUAZTGJW-KRWDZBQOSA-N 0 3 307.397 2.157 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(OC)cs2)CC1 ZINC001016762443 687697616 /nfs/dbraw/zinc/69/76/16/687697616.db2.gz DQRDDXGZSNTBMJ-HNNXBMFYSA-N 0 3 318.442 2.364 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2nc(CC)oc2C)CC1 ZINC001016870860 687723574 /nfs/dbraw/zinc/72/35/74/687723574.db2.gz RRVAMLIWBHSVAL-CQSZACIVSA-N 0 3 315.417 2.153 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(OC)c2F)CC1 ZINC001016893125 687728072 /nfs/dbraw/zinc/72/80/72/687728072.db2.gz UESIAFWWTWUITP-HNNXBMFYSA-N 0 3 316.376 2.052 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cncc3ccccc32)CC1 ZINC001016982318 687748289 /nfs/dbraw/zinc/74/82/89/687748289.db2.gz GACNQSDDYVGOPX-GOSISDBHSA-N 0 3 319.408 2.452 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2nc(C)c(C)s2)CC1 ZINC001016984846 687749895 /nfs/dbraw/zinc/74/98/95/687749895.db2.gz GUMBICDJWQCXIP-CQSZACIVSA-N 0 3 317.458 2.368 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC001016990649 687751329 /nfs/dbraw/zinc/75/13/29/687751329.db2.gz PGJIHVNLBBVMFS-ICSRJNTNSA-N 0 3 322.452 2.494 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(C)cccc2F)CC1 ZINC001016997814 687753186 /nfs/dbraw/zinc/75/31/86/687753186.db2.gz MQQPRXOESBAMAN-OAHLLOKOSA-N 0 3 300.377 2.352 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C ZINC001017509737 687904507 /nfs/dbraw/zinc/90/45/07/687904507.db2.gz QJLGFMJSVPYHPL-MWDXBVQZSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OCC)C1 ZINC001017526554 687907091 /nfs/dbraw/zinc/90/70/91/687907091.db2.gz RXNCBIRDUMJLML-HPZPOOBXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCC(C)(C)CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000868215127 687949533 /nfs/dbraw/zinc/94/95/33/687949533.db2.gz AYKPXEMHUASPMF-GJZGRUSLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1cnn(C)c1 ZINC001017767354 687955741 /nfs/dbraw/zinc/95/57/41/687955741.db2.gz MBYYRUXFDKCJJV-BHYGNILZSA-N 0 3 316.449 2.165 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cc(C)on1 ZINC001017931857 688003803 /nfs/dbraw/zinc/00/38/03/688003803.db2.gz WWVAIIODZDUVCJ-IYBDPMFKSA-N 0 3 303.406 2.167 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]nc2ccccc21 ZINC001018301023 688104322 /nfs/dbraw/zinc/10/43/22/688104322.db2.gz MSKGZDBFUQMOQT-GASCZTMLSA-N 0 3 324.428 2.357 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3ccccn3)C2)s1 ZINC001018405026 688126121 /nfs/dbraw/zinc/12/61/21/688126121.db2.gz QGAOQJNOLUUATC-LBPRGKRZSA-N 0 3 312.398 2.019 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018724875 688218533 /nfs/dbraw/zinc/21/85/33/688218533.db2.gz CDMDHKVYVZHMOQ-GJZGRUSLSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(N2CCCCC2=O)cc1 ZINC000930526012 694182270 /nfs/dbraw/zinc/18/22/70/694182270.db2.gz FIDGOEGUADRKHS-CZUORRHYSA-N 0 3 301.390 2.129 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001018992142 688266965 /nfs/dbraw/zinc/26/69/65/688266965.db2.gz OURWSMMYHUIZKA-YNEHKIRRSA-N 0 3 302.340 2.179 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3(CF)CCC3)C2)s1 ZINC001019404560 688347583 /nfs/dbraw/zinc/34/75/83/688347583.db2.gz UMEJMPFOLVBNAV-LBPRGKRZSA-N 0 3 321.421 2.450 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001019738774 688404188 /nfs/dbraw/zinc/40/41/88/688404188.db2.gz QSZSMHYSIMSFHK-HNNXBMFYSA-N 0 3 302.805 2.195 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2cnccc2C)C1 ZINC001020043608 688448518 /nfs/dbraw/zinc/44/85/18/688448518.db2.gz GBYZIXYNPHISLX-HAQNSBGRSA-N 0 3 324.222 2.149 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC000870031758 688463853 /nfs/dbraw/zinc/46/38/53/688463853.db2.gz XKIWBZLMFZLAJA-XQQFMLRXSA-N 0 3 316.829 2.050 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC001020204788 688484693 /nfs/dbraw/zinc/48/46/93/688484693.db2.gz QNYWJMDBVSJONZ-JOCQHMNTSA-N 0 3 310.829 2.142 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000870134694 688494280 /nfs/dbraw/zinc/49/42/80/688494280.db2.gz SLXDECWVNVWLLT-HIFRSBDPSA-N 0 3 318.421 2.233 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000870143329 688497323 /nfs/dbraw/zinc/49/73/23/688497323.db2.gz SDKFGMJGMDQMOW-PIGZVRMJSA-N 0 3 304.390 2.005 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1 ZINC001027550058 688531865 /nfs/dbraw/zinc/53/18/65/688531865.db2.gz QOCYYCFEADMSKX-LLVKDONJSA-N 0 3 310.319 2.274 20 30 DEEDHN CN1CCN(C(=O)c2c(F)cc(C#N)cc2F)CCC1(C)C ZINC000871155482 688737777 /nfs/dbraw/zinc/73/77/77/688737777.db2.gz RWWAWDBUOUYFNF-UHFFFAOYSA-N 0 3 307.344 2.393 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000930761874 694235467 /nfs/dbraw/zinc/23/54/67/694235467.db2.gz XAIMYYZDONCKHN-NFAWXSAZSA-N 0 3 314.389 2.145 20 30 DEEDHN Cc1ccc(C)c(CN2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001031622044 688965841 /nfs/dbraw/zinc/96/58/41/688965841.db2.gz SQIOHZZFRHYRNF-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001031678817 688978486 /nfs/dbraw/zinc/97/84/86/688978486.db2.gz WEEMKDQYKKQGKX-UHFFFAOYSA-N 0 3 311.360 2.059 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001031756703 688991429 /nfs/dbraw/zinc/99/14/29/688991429.db2.gz QIHBYUHQHXVCIF-UHFFFAOYSA-N 0 3 309.369 2.027 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(CC[C@H](C)F)C1 ZINC001032040557 689047376 /nfs/dbraw/zinc/04/73/76/689047376.db2.gz JMCCBAVMKHWXCT-BPUTZDHNSA-N 0 3 312.429 2.154 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cccc(OC(C)C)n2)C1 ZINC001032082208 689056684 /nfs/dbraw/zinc/05/66/84/689056684.db2.gz TYPMVHKABXLAEN-UHFFFAOYSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2csc3c2CCCC3)C1 ZINC001032172317 689077540 /nfs/dbraw/zinc/07/75/40/689077540.db2.gz IFLHQZUSDLGCDD-UHFFFAOYSA-N 0 3 302.443 2.312 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NCCCCN1CCN(C)CC1 ZINC000872825085 689101400 /nfs/dbraw/zinc/10/14/00/689101400.db2.gz GSOYCWFSMMODNV-UHFFFAOYSA-N 0 3 324.513 2.306 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(C)=O)CC2)CC1 ZINC000872881661 689112257 /nfs/dbraw/zinc/11/22/57/689112257.db2.gz PSPVPJKWJSHDLU-UHFFFAOYSA-N 0 3 307.438 2.038 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccnc2c1 ZINC001032517167 689174068 /nfs/dbraw/zinc/17/40/68/689174068.db2.gz JHRZWXUYTPQRLH-HOTGVXAUSA-N 0 3 310.401 2.199 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1-c1ccoc1 ZINC001032538104 689179585 /nfs/dbraw/zinc/17/95/85/689179585.db2.gz LRAXRLLHVCFFKD-KBPBESRZSA-N 0 3 312.373 2.145 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)[nH]c1=O ZINC001032549327 689182917 /nfs/dbraw/zinc/18/29/17/689182917.db2.gz AECPCUWTAURVMF-GJZGRUSLSA-N 0 3 315.417 2.269 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c(C)noc1C ZINC001032668480 689218654 /nfs/dbraw/zinc/21/86/54/689218654.db2.gz CILOPYKPHYCUSU-RCBQFDQVSA-N 0 3 317.433 2.331 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nccnc21 ZINC001032699469 689228925 /nfs/dbraw/zinc/22/89/25/689228925.db2.gz SEJWOGPYDVMDOO-KBPBESRZSA-N 0 3 308.385 2.105 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)cc1 ZINC001032749269 689245727 /nfs/dbraw/zinc/24/57/27/689245727.db2.gz AAMXZRCQVHICFD-HOTGVXAUSA-N 0 3 300.402 2.099 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2n1CCCC2 ZINC001032791588 689261730 /nfs/dbraw/zinc/26/17/30/689261730.db2.gz ZZEJRQXKNDWVLZ-HOTGVXAUSA-N 0 3 314.433 2.084 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001033104063 689388010 /nfs/dbraw/zinc/38/80/10/689388010.db2.gz SKQYXYHMAMJYGG-JKSUJKDBSA-N 0 3 300.402 2.099 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2coc(C(F)(F)F)n2)C1 ZINC001033234911 689433354 /nfs/dbraw/zinc/43/33/54/689433354.db2.gz OCKLSJMGHSFCEX-JTQLQIEISA-N 0 3 317.311 2.416 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001033244957 689437510 /nfs/dbraw/zinc/43/75/10/689437510.db2.gz BSQJIRWBWWDKNM-DLBZAZTESA-N 0 3 314.429 2.347 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001033275963 689448198 /nfs/dbraw/zinc/44/81/98/689448198.db2.gz QOVTYADKECACAK-GDBMZVCRSA-N 0 3 312.413 2.180 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2occ3c2CCOC3)C1 ZINC001033302487 689453790 /nfs/dbraw/zinc/45/37/90/689453790.db2.gz LKHFJTJQFCLRSW-AWEZNQCLSA-N 0 3 304.390 2.075 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001033374962 689481557 /nfs/dbraw/zinc/48/15/57/689481557.db2.gz HJHCVOHHKLSLCJ-INIZCTEOSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ncsc2C2CC2)C1 ZINC001033410378 689491362 /nfs/dbraw/zinc/49/13/62/689491362.db2.gz VDVZRYZRMCYXKH-ZDUSSCGKSA-N 0 3 303.431 2.190 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnc(C)nc2C(C)C)C1 ZINC001033467871 689511037 /nfs/dbraw/zinc/51/10/37/689511037.db2.gz RZUOYTIXRZPYOT-OAHLLOKOSA-N 0 3 314.433 2.078 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(OC)cc2F)C1 ZINC001033550199 689538279 /nfs/dbraw/zinc/53/82/79/689538279.db2.gz FPXAJNJDAFFXMY-CQSZACIVSA-N 0 3 306.381 2.096 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001033575071 689548733 /nfs/dbraw/zinc/54/87/33/689548733.db2.gz GMAQMZUHURRHFE-QGZVFWFLSA-N 0 3 302.418 2.094 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2OC)C1 ZINC001033600068 689556045 /nfs/dbraw/zinc/55/60/45/689556045.db2.gz XTRDGKVZQPSHSY-HNNXBMFYSA-N 0 3 300.402 2.173 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(OC)c2)C1 ZINC001033631555 689567060 /nfs/dbraw/zinc/56/70/60/689567060.db2.gz SXRCDTWZLMZLNE-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(NC(C)=O)c2)C1 ZINC001033651800 689572470 /nfs/dbraw/zinc/57/24/70/689572470.db2.gz DDXXFTOXMOLVJD-QGZVFWFLSA-N 0 3 315.417 2.367 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cc3ccccc3n2C)C1 ZINC001033698500 689587859 /nfs/dbraw/zinc/58/78/59/689587859.db2.gz SNSGLSWWIMLGLV-INIZCTEOSA-N 0 3 311.429 2.440 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H](O)C2CCCC2)CC1 ZINC000875248487 689595910 /nfs/dbraw/zinc/59/59/10/689595910.db2.gz TZGIWWGPPWWUOT-KRWDZBQOSA-N 0 3 323.481 2.267 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033848296 689636742 /nfs/dbraw/zinc/63/67/42/689636742.db2.gz CRVQTZYXFSRRNE-HOTGVXAUSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001033888177 689651905 /nfs/dbraw/zinc/65/19/05/689651905.db2.gz QIMMSTHWLASWGV-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nc(C)n3ccccc23)C1 ZINC001033901763 689656161 /nfs/dbraw/zinc/65/61/61/689656161.db2.gz PQNWBYFCFRSKBH-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cc(OCC)no2)C1 ZINC001033900813 689656433 /nfs/dbraw/zinc/65/64/33/689656433.db2.gz UNXRJMCFQCDTAD-ZDUSSCGKSA-N 0 3 307.394 2.186 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccnc(OCC)c2)C1 ZINC001033948645 689670620 /nfs/dbraw/zinc/67/06/20/689670620.db2.gz AXHCHOSFECEBHY-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2c[nH]c(=O)cc2C)C1 ZINC001033950047 689671702 /nfs/dbraw/zinc/67/17/02/689671702.db2.gz OKCFXQDSKFKZMZ-CQSZACIVSA-N 0 3 303.406 2.208 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001033961356 689674858 /nfs/dbraw/zinc/67/48/58/689674858.db2.gz IOBPDMNVJQTSJW-YESZJQIVSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nc(CC)oc2C)C1 ZINC001033982670 689683781 /nfs/dbraw/zinc/68/37/81/689683781.db2.gz GCFUBCOQKSYLMH-CQSZACIVSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001034206121 689762789 /nfs/dbraw/zinc/76/27/89/689762789.db2.gz GOSFLXZWZLSMOG-HNNXBMFYSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001034212037 689764498 /nfs/dbraw/zinc/76/44/98/689764498.db2.gz UZFNEWKPKFDAAM-MRXNPFEDSA-N 0 3 314.433 2.216 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001034249644 689780981 /nfs/dbraw/zinc/78/09/81/689780981.db2.gz MGGKVGPTDJGDBR-HOTGVXAUSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccn3nccc23)C1 ZINC001034288388 689796629 /nfs/dbraw/zinc/79/66/29/689796629.db2.gz KAYCOCUWCGRXFG-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001034314642 689807265 /nfs/dbraw/zinc/80/72/65/689807265.db2.gz WLSWHYRCWOYWSW-VVLHAWIVSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034327336 689810308 /nfs/dbraw/zinc/81/03/08/689810308.db2.gz HWPXDBMQZFHMGO-CQSZACIVSA-N 0 3 303.406 2.406 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC001034362099 689822074 /nfs/dbraw/zinc/82/20/74/689822074.db2.gz YOVXJSLWYMGTTL-GDBMZVCRSA-N 0 3 302.422 2.127 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001034372525 689827095 /nfs/dbraw/zinc/82/70/95/689827095.db2.gz MOWRNQISBBTBLH-MRXNPFEDSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001034417567 689841782 /nfs/dbraw/zinc/84/17/82/689841782.db2.gz PJNVOEIGJBQZFW-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001034425768 689844711 /nfs/dbraw/zinc/84/47/11/689844711.db2.gz RLKGQBTXSYVDEK-CYBMUJFWSA-N 0 3 314.389 2.039 20 30 DEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001034452730 689854894 /nfs/dbraw/zinc/85/48/94/689854894.db2.gz PWDDTLHXXHANHF-GFCCVEGCSA-N 0 3 321.446 2.007 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000876567699 689859508 /nfs/dbraw/zinc/85/95/08/689859508.db2.gz PUMVXISVAJHFGN-HNNXBMFYSA-N 0 3 318.808 2.301 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(OC)n2)C1 ZINC001034474618 689864488 /nfs/dbraw/zinc/86/44/88/689864488.db2.gz MAEHVOBKDCJGIE-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000876586676 689867117 /nfs/dbraw/zinc/86/71/17/689867117.db2.gz HKXBTCWDSOOFQB-GFCCVEGCSA-N 0 3 309.797 2.105 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001034487073 689869594 /nfs/dbraw/zinc/86/95/94/689869594.db2.gz NHROXRQHRYUAFE-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001034487940 689870519 /nfs/dbraw/zinc/87/05/19/689870519.db2.gz QQSIYGVJKLJLQV-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000876639156 689884964 /nfs/dbraw/zinc/88/49/64/689884964.db2.gz BGGCFHUUHMTKFI-RYUDHWBXSA-N 0 3 310.781 2.105 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001034525583 689885500 /nfs/dbraw/zinc/88/55/00/689885500.db2.gz RXOLJAAGAWLFQS-HNNXBMFYSA-N 0 3 305.422 2.381 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1F ZINC000876650676 689889127 /nfs/dbraw/zinc/88/91/27/689889127.db2.gz XGDGCVLOTUWJDZ-SECBINFHSA-N 0 3 302.733 2.251 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000876658552 689892644 /nfs/dbraw/zinc/89/26/44/689892644.db2.gz YYTFBMBEDFLYRF-HOCLYGCPSA-N 0 3 308.809 2.231 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001034548310 689895272 /nfs/dbraw/zinc/89/52/72/689895272.db2.gz MABXFMKZWXOXLF-HNNXBMFYSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1cccc(OC)c1 ZINC000876674394 689897847 /nfs/dbraw/zinc/89/78/47/689897847.db2.gz IZQABFWNQIIRNZ-CQSZACIVSA-N 0 3 312.797 2.050 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)c2ncc[nH]2)CC1 ZINC001034645415 689917676 /nfs/dbraw/zinc/91/76/76/689917676.db2.gz ZJJBEUWYHYSSHN-WKILWMFISA-N 0 3 323.400 2.112 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCN(C)c1ccccc1F ZINC000876736591 689921057 /nfs/dbraw/zinc/92/10/57/689921057.db2.gz WOJDTEXDRNXOSX-CYBMUJFWSA-N 0 3 313.804 2.238 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000876740311 689922940 /nfs/dbraw/zinc/92/29/40/689922940.db2.gz MKBWHMUDZYNYTI-GXTWGEPZSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1csc(C(C)C)n1 ZINC000876743829 689924670 /nfs/dbraw/zinc/92/46/70/689924670.db2.gz NFTNUJSFCKTZFH-LLVKDONJSA-N 0 3 301.843 2.395 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000876767131 689931417 /nfs/dbraw/zinc/93/14/17/689931417.db2.gz BVZAUVOEJVUKDO-QWRGUYRKSA-N 0 3 306.797 2.220 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000876769261 689931631 /nfs/dbraw/zinc/93/16/31/689931631.db2.gz PZFRHGUCSJKAIW-HIFRSBDPSA-N 0 3 307.825 2.242 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000876769160 689932071 /nfs/dbraw/zinc/93/20/71/689932071.db2.gz PZFRHGUCSJKAIW-DZGCQCFKSA-N 0 3 307.825 2.242 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000876881299 689962926 /nfs/dbraw/zinc/96/29/26/689962926.db2.gz DYKRIFSOKYVDFI-HZPDHXFCSA-N 0 3 322.836 2.317 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000876886319 689964586 /nfs/dbraw/zinc/96/45/86/689964586.db2.gz UHNKSBGRTFSIAF-CYBMUJFWSA-N 0 3 305.809 2.472 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H](OC)C1CCOCC1 ZINC000877047098 690006921 /nfs/dbraw/zinc/00/69/21/690006921.db2.gz WIHNDJZCRHCFMV-SFHVURJKSA-N 0 3 303.402 2.230 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)CNC2)C(=O)OCC ZINC000877144311 690029141 /nfs/dbraw/zinc/02/91/41/690029141.db2.gz KJDDLTNAUFYBPE-AWEZNQCLSA-N 0 3 322.792 2.094 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000877202758 690044542 /nfs/dbraw/zinc/04/45/42/690044542.db2.gz GFDRUPJHGYDYGQ-STQMWFEESA-N 0 3 300.830 2.312 20 30 DEEDHN CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)[nH]n1 ZINC000877297042 690069260 /nfs/dbraw/zinc/06/92/60/690069260.db2.gz GLGJHLGVLTYPAZ-KBPBESRZSA-N 0 3 317.437 2.260 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC2 ZINC001035728216 690162203 /nfs/dbraw/zinc/16/22/03/690162203.db2.gz HASDUCKNXHWDET-HUUCEWRRSA-N 0 3 314.433 2.014 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1onc(C)c1C)CC2 ZINC001035727446 690162501 /nfs/dbraw/zinc/16/25/01/690162501.db2.gz JNCZYADUVCMAMO-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1occc1CC)CC2 ZINC001035785528 690175449 /nfs/dbraw/zinc/17/54/49/690175449.db2.gz VHDCPQHGNNGMPC-UHFFFAOYSA-N 0 3 300.402 2.403 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccn(C)c1CC)CC2 ZINC001035795799 690178607 /nfs/dbraw/zinc/17/86/07/690178607.db2.gz ZKXYJCSTJNECRD-UHFFFAOYSA-N 0 3 313.445 2.149 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]1(C)CCCOC1)CC2 ZINC001035824655 690185621 /nfs/dbraw/zinc/18/56/21/690185621.db2.gz NOLJOISRUALSNA-QGZVFWFLSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCOc1ccc(CN2CCCC[C@H]2CNC(C)=O)cc1 ZINC000877673765 690186505 /nfs/dbraw/zinc/18/65/05/690186505.db2.gz HYOBEWZYYAYOEB-KRWDZBQOSA-N 0 3 300.402 2.189 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnn(C(F)F)c1)CC2 ZINC001035829023 690187336 /nfs/dbraw/zinc/18/73/36/690187336.db2.gz MTDDTDQFRQIXHQ-UHFFFAOYSA-N 0 3 324.375 2.392 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ncccc1OC)CC2 ZINC001035842115 690190809 /nfs/dbraw/zinc/19/08/09/690190809.db2.gz CHIZGCSAOVANIN-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN(CCO)CC1CC1)c1ccccc1 ZINC000877995563 690281111 /nfs/dbraw/zinc/28/11/11/690281111.db2.gz HHKOJAXGNQNGIS-SFHVURJKSA-N 0 3 300.402 2.131 20 30 DEEDHN C=CC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000878302691 690373382 /nfs/dbraw/zinc/37/33/82/690373382.db2.gz UPSTZAVGRKKMTC-CQSZACIVSA-N 0 3 305.397 2.346 20 30 DEEDHN O=C(C(F)F)N1CC[C@@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036611401 690399494 /nfs/dbraw/zinc/39/94/94/690399494.db2.gz CNVXCYYAOFGZKQ-HZPDHXFCSA-N 0 3 318.367 2.226 20 30 DEEDHN Cc1nsc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1C#N ZINC000931341778 694372899 /nfs/dbraw/zinc/37/28/99/694372899.db2.gz BRUKCMUUQGELOT-LBPRGKRZSA-N 0 3 319.434 2.462 20 30 DEEDHN C[C@H]1CN(CCCOc2ccc(C#N)cc2)C[C@H](C)N1CC#N ZINC000878773826 690497341 /nfs/dbraw/zinc/49/73/41/690497341.db2.gz KCCIHCJSIPIURN-HOTGVXAUSA-N 0 3 312.417 2.245 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H]2COC[C@H]2C1)c1ccccc1 ZINC000878994628 690544667 /nfs/dbraw/zinc/54/46/67/690544667.db2.gz WGAWWJIDAZMDJX-ZHALLVOQSA-N 0 3 312.413 2.395 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)[C@@H](CO)C1)c1ccccc1 ZINC000879021129 690551450 /nfs/dbraw/zinc/55/14/50/690551450.db2.gz RDASZCZJAZZVIW-SZVBFZGTSA-N 0 3 314.429 2.377 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001038519869 690848845 /nfs/dbraw/zinc/84/88/45/690848845.db2.gz ZYMUDJPPQZSJSA-OAHLLOKOSA-N 0 3 303.406 2.120 20 30 DEEDHN CO[C@@H]1COCC[C@@H]1N(C)Cc1cc(Cl)ccc1OCC#N ZINC000880424723 690895271 /nfs/dbraw/zinc/89/52/71/690895271.db2.gz BISUVSJFZFFCJJ-GOEBONIOSA-N 0 3 324.808 2.478 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001038695218 690899888 /nfs/dbraw/zinc/89/98/88/690899888.db2.gz YUXKHTHDZIFKMP-GOSISDBHSA-N 0 3 311.429 2.443 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@@H]2CCN2CC2CCC2)cc1 ZINC001038779802 690924710 /nfs/dbraw/zinc/92/47/10/690924710.db2.gz VOQTZQZWNDNHBY-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038857306 690946148 /nfs/dbraw/zinc/94/61/48/690946148.db2.gz NTPZWQJJTFYHES-INIZCTEOSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC001038939072 690971805 /nfs/dbraw/zinc/97/18/05/690971805.db2.gz OTJBPCRSRZVPIP-HNNXBMFYSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039014907 690992417 /nfs/dbraw/zinc/99/24/17/690992417.db2.gz GKDYZGIDBVZQBV-KRWDZBQOSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(OCC)c(OC)c1 ZINC001039019572 690994296 /nfs/dbraw/zinc/99/42/96/690994296.db2.gz UFGZFXAIYGLJGQ-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039040888 691001809 /nfs/dbraw/zinc/00/18/09/691001809.db2.gz WTXPJRFQRUGIBX-KRWDZBQOSA-N 0 3 301.434 2.128 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001039138371 691030442 /nfs/dbraw/zinc/03/04/42/691030442.db2.gz PDNDJIBOGCZGMT-AWEZNQCLSA-N 0 3 322.840 2.336 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)COC2CCCC2)C1 ZINC001039186945 691043131 /nfs/dbraw/zinc/04/31/31/691043131.db2.gz PIMSNCYKCUHNDW-FUHWJXTLSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2=COCCC2)C1 ZINC001039191499 691045711 /nfs/dbraw/zinc/04/57/11/691045711.db2.gz WEJFHLAWOUSSMS-DOTOQJQBSA-N 0 3 302.418 2.017 20 30 DEEDHN C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccccc2[O-])C1 ZINC001039193879 691047778 /nfs/dbraw/zinc/04/77/78/691047778.db2.gz RIAHKLYLPQBPBJ-NVXWUHKLSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccccc2[O-])C1 ZINC001039193879 691047779 /nfs/dbraw/zinc/04/77/79/691047779.db2.gz RIAHKLYLPQBPBJ-NVXWUHKLSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc(F)cn2)C1 ZINC001039197602 691049749 /nfs/dbraw/zinc/04/97/49/691049749.db2.gz AAXYXQZOXNJXAB-WMLDXEAASA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2coc(CC)n2)C1 ZINC001039198528 691050452 /nfs/dbraw/zinc/05/04/52/691050452.db2.gz JWJDBMAJDBQFPC-GOEBONIOSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cnc(C)s2)C1 ZINC001039209629 691054664 /nfs/dbraw/zinc/05/46/64/691054664.db2.gz TYRZRXAUUWFTFP-HUUCEWRRSA-N 0 3 317.458 2.401 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2coc(C)n2)C1 ZINC001039223112 691059429 /nfs/dbraw/zinc/05/94/29/691059429.db2.gz QLKDKTNIUBKCBI-WBVHZDCISA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2c(C)ccn2C)C1 ZINC001039223595 691060528 /nfs/dbraw/zinc/06/05/28/691060528.db2.gz XGHJRUDZTVXUFI-IRXDYDNUSA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2conc2CC)C1 ZINC001039227861 691061586 /nfs/dbraw/zinc/06/15/86/691061586.db2.gz CQPLZZVZPDILNH-YOEHRIQHSA-N 0 3 315.417 2.187 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cc(F)c[nH]2)C1 ZINC001039231417 691062781 /nfs/dbraw/zinc/06/27/81/691062781.db2.gz WCSIRUQUIDQPFG-WMLDXEAASA-N 0 3 317.408 2.494 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cccc2)C1 ZINC001039239603 691065006 /nfs/dbraw/zinc/06/50/06/691065006.db2.gz QVRWPGFAIQIXEC-QZTJIDSGSA-N 0 3 313.445 2.214 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2nccs2)C1 ZINC001039240906 691065971 /nfs/dbraw/zinc/06/59/71/691065971.db2.gz XJIWUYLQSZNAFH-CABCVRRESA-N 0 3 317.458 2.483 20 30 DEEDHN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cncn2c1 ZINC001039405725 691099651 /nfs/dbraw/zinc/09/96/51/691099651.db2.gz CTOWNPNJQCWTKS-AEFFLSMTSA-N 0 3 322.412 2.037 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(Cl)n1C ZINC001039405536 691099776 /nfs/dbraw/zinc/09/97/76/691099776.db2.gz YPDFGARGIVTKMJ-OLZOCXBDSA-N 0 3 322.840 2.329 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001039435458 691105531 /nfs/dbraw/zinc/10/55/31/691105531.db2.gz MFHSERGYHHNQCY-ILXRZTDVSA-N 0 3 314.433 2.081 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)n1 ZINC001039446414 691107986 /nfs/dbraw/zinc/10/79/86/691107986.db2.gz FNTVCCCNRSZJQS-CVEARBPZSA-N 0 3 324.428 2.056 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC001040045126 691184474 /nfs/dbraw/zinc/18/44/74/691184474.db2.gz XEHLYUGKBAHRBI-SFHVURJKSA-N 0 3 300.377 2.387 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3c(C)noc3C)C2)C1 ZINC001040063116 691188032 /nfs/dbraw/zinc/18/80/32/691188032.db2.gz IHEDEGJQYFTGIV-GOSISDBHSA-N 0 3 315.417 2.243 20 30 DEEDHN C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001040083668 691192029 /nfs/dbraw/zinc/19/20/29/691192029.db2.gz PEXVUVPQQPORIB-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001040083668 691192031 /nfs/dbraw/zinc/19/20/31/691192031.db2.gz PEXVUVPQQPORIB-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC001040141049 691203390 /nfs/dbraw/zinc/20/33/90/691203390.db2.gz LQEQESQTIZUYPW-FAJBIJEISA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3nn(C)cc3Cl)C2)C1 ZINC001040221697 691216116 /nfs/dbraw/zinc/21/61/16/691216116.db2.gz VICPDRDCFNZADK-MRXNPFEDSA-N 0 3 322.840 2.188 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 ZINC001040231812 691217946 /nfs/dbraw/zinc/21/79/46/691217946.db2.gz KZNQVGYUQJNEAK-GDBMZVCRSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3CC)C2)C1 ZINC001040244100 691220011 /nfs/dbraw/zinc/22/00/11/691220011.db2.gz HBCOROQYRPGMMC-ZIFCJYIRSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3CCC(F)CC3)C2)C1 ZINC001040369031 691236820 /nfs/dbraw/zinc/23/68/20/691236820.db2.gz KPCLGWZAFNOAEM-HTWSVDAQSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)c3cccnc3)C2)C1 ZINC001040497156 691257378 /nfs/dbraw/zinc/25/73/78/691257378.db2.gz QAVOGBODTMFRJZ-VQIMIIECSA-N 0 3 311.429 2.133 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cc(Cl)no3)C2)C1 ZINC001040502287 691258020 /nfs/dbraw/zinc/25/80/20/691258020.db2.gz LHVVXBFEAFKKDW-OAHLLOKOSA-N 0 3 309.797 2.442 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)Cc3ccccc3C)C2)C1 ZINC001040524945 691261452 /nfs/dbraw/zinc/26/14/52/691261452.db2.gz OPDPVVODCIMVQZ-FQEVSTJZSA-N 0 3 310.441 2.485 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)C1 ZINC001040550727 691264305 /nfs/dbraw/zinc/26/43/05/691264305.db2.gz DMYQYFSYACNGGT-URNBORRASA-N 0 3 312.457 2.226 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3ccccc3F)C2)CC1 ZINC001040584434 691269861 /nfs/dbraw/zinc/26/98/61/691269861.db2.gz JRYNHTWTCSTCON-UHFFFAOYSA-N 0 3 300.377 2.387 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3sccc3F)C2)CC1 ZINC001040684791 691279493 /nfs/dbraw/zinc/27/94/93/691279493.db2.gz AHLCMBWXWIEYKZ-UHFFFAOYSA-N 0 3 306.406 2.449 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3cc4occc4[nH]3)C2)CC1 ZINC001040720916 691282316 /nfs/dbraw/zinc/28/23/16/691282316.db2.gz LXSHYPFAOGQVSH-UHFFFAOYSA-N 0 3 311.385 2.322 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H]3OCC[C@H]3CC)C2)CC1 ZINC001040733254 691283336 /nfs/dbraw/zinc/28/33/36/691283336.db2.gz QXQRNYFTLDCFOY-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C2)CC1 ZINC001040754150 691285149 /nfs/dbraw/zinc/28/51/49/691285149.db2.gz FYKDXSHUYWCCEI-ZACQAIPSSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@]3(C)CCO[C@@H]3C)C2)CC1 ZINC001040786032 691287580 /nfs/dbraw/zinc/28/75/80/691287580.db2.gz BTDIATZLLUTKAK-AEFFLSMTSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)c3ccc(OC)o3)C2)CC1 ZINC001040891424 691295972 /nfs/dbraw/zinc/29/59/72/691295972.db2.gz OKSYDJJHUGANJO-UHFFFAOYSA-N 0 3 316.401 2.240 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)C1 ZINC001041176551 691338361 /nfs/dbraw/zinc/33/83/61/691338361.db2.gz YPYZSKGOUUEIDN-VUHPKUFZSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cc(C)c(C)o3)C2)C1 ZINC001041210818 691344621 /nfs/dbraw/zinc/34/46/21/691344621.db2.gz KYMYEBNBRCDLMG-GOSISDBHSA-N 0 3 300.402 2.458 20 30 DEEDHN Cc1ccncc1CN1CC[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC001041274486 691354917 /nfs/dbraw/zinc/35/49/17/691354917.db2.gz XDUQRAUQPPYRJV-FQEVSTJZSA-N 0 3 323.440 2.228 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)C1 ZINC001041296935 691358019 /nfs/dbraw/zinc/35/80/19/691358019.db2.gz LJLAKRTYNIOFNR-NLWGTHIKSA-N 0 3 323.440 2.133 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccnn3[C@H](C)CC)C2)C1 ZINC001041329555 691362373 /nfs/dbraw/zinc/36/23/73/691362373.db2.gz GPXJBMIYHAMHGK-CRAIPNDOSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc(C(C)C)nc3)C2)C1 ZINC001041356659 691366956 /nfs/dbraw/zinc/36/69/56/691366956.db2.gz AQDAADQSIWPWNJ-IBGZPJMESA-N 0 3 311.429 2.376 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C)cc43)C2)C1 ZINC001041439646 691375916 /nfs/dbraw/zinc/37/59/16/691375916.db2.gz HGLMFGBPFXHWNT-LJQANCHMSA-N 0 3 322.412 2.043 20 30 DEEDHN C=CCN1CC[C@]2(CCN(C(=O)c3onc4c3CCCC4)C2)C1 ZINC001041473281 691381659 /nfs/dbraw/zinc/38/16/59/691381659.db2.gz OOFKAZAQBMITTI-SFHVURJKSA-N 0 3 315.417 2.277 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3ccn(CC)c3C)C2)C1 ZINC001041587050 691397622 /nfs/dbraw/zinc/39/76/22/691397622.db2.gz NVLIGOMHMUAEDJ-LJQANCHMSA-N 0 3 313.445 2.378 20 30 DEEDHN C=C(C)C[C@H](CO)Nc1cc(N[C@@H](CO)CC(=C)C)nc(C)n1 ZINC000883005909 691408780 /nfs/dbraw/zinc/40/87/80/691408780.db2.gz CHXXFXBFPCZADQ-HUUCEWRRSA-N 0 3 320.437 2.263 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 ZINC001041712477 691414581 /nfs/dbraw/zinc/41/45/81/691414581.db2.gz ONEGLRRZGSAOGA-TZIWHRDSSA-N 0 3 322.452 2.349 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)C1 ZINC001041743543 691422310 /nfs/dbraw/zinc/42/23/10/691422310.db2.gz MTBZRIIAQDJPON-QRWLVFNGSA-N 0 3 324.424 2.181 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc4cccnc4c3)C2)C1 ZINC001041745982 691422796 /nfs/dbraw/zinc/42/27/96/691422796.db2.gz AONMIKGOAYESBE-FQEVSTJZSA-N 0 3 319.408 2.406 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cc(CCC)on3)C2)C1 ZINC001041768065 691427110 /nfs/dbraw/zinc/42/71/10/691427110.db2.gz OYBQWYCOTBMOSG-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)Cc3ccccc3F)C2)C1 ZINC001041815010 691437658 /nfs/dbraw/zinc/43/76/58/691437658.db2.gz UPHYLAMONQUKMB-IBGZPJMESA-N 0 3 314.404 2.316 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC4CCC3CC4)C2)C1 ZINC001041847141 691445589 /nfs/dbraw/zinc/44/55/89/691445589.db2.gz JMUKUMIQAXSHFK-WXVPWVKJSA-N 0 3 300.446 2.370 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1 ZINC000883299089 691476638 /nfs/dbraw/zinc/47/66/38/691476638.db2.gz LFIVGXFQXAJFOV-CZUORRHYSA-N 0 3 322.430 2.034 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C[C@H]21 ZINC001041977302 691478489 /nfs/dbraw/zinc/47/84/89/691478489.db2.gz DNTKAZGFNXTTDE-HUUCEWRRSA-N 0 3 302.422 2.139 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883343336 691484785 /nfs/dbraw/zinc/48/47/85/691484785.db2.gz JIJLNRRAWHEVQI-WBVHZDCISA-N 0 3 307.438 2.038 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3scnc3CC)C[C@@H]21 ZINC001042088325 691504242 /nfs/dbraw/zinc/50/42/42/691504242.db2.gz PLXGZFCPDKBNFU-HIFRSBDPSA-N 0 3 317.458 2.265 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ncc(C)cc3OC)C[C@@H]21 ZINC001042098015 691507616 /nfs/dbraw/zinc/50/76/16/691507616.db2.gz MNXABXJMOIKILR-CABCVRRESA-N 0 3 315.417 2.121 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnc4cc[nH]c4c3)C[C@@H]21 ZINC001042112668 691511735 /nfs/dbraw/zinc/51/17/35/691511735.db2.gz RULXUUMDKHPQKG-GUYCJALGSA-N 0 3 310.401 2.285 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc4cccn4cn3)C[C@H]21 ZINC001042112049 691511750 /nfs/dbraw/zinc/51/17/50/691511750.db2.gz OTTIWSIETDQWEX-MAUKXSAKSA-N 0 3 324.428 2.447 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cnn(C)c3Cl)C[C@@H]21 ZINC001042116754 691512323 /nfs/dbraw/zinc/51/23/23/691512323.db2.gz NGKOZONRRHBFJZ-JSGCOSHPSA-N 0 3 322.840 2.186 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(Cl)cn3C)C[C@@H]21 ZINC001042144992 691520314 /nfs/dbraw/zinc/52/03/14/691520314.db2.gz DMZOGOLNUDAFOX-DOMZBBRYSA-N 0 3 307.825 2.401 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccn4ccccc34)C[C@@H]21 ZINC001042151034 691522450 /nfs/dbraw/zinc/52/24/50/691522450.db2.gz YMAAALHSBGNPLO-LPHOPBHVSA-N 0 3 321.424 2.499 20 30 DEEDHN C#CC1(NC(=O)NC2CCN(CCOC(C)C)CC2)CCCC1 ZINC000883490577 691524010 /nfs/dbraw/zinc/52/40/10/691524010.db2.gz RTNPPUNQYKMDID-UHFFFAOYSA-N 0 3 321.465 2.121 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3nc(Cl)cs3)C[C@H]21 ZINC001042196168 691533731 /nfs/dbraw/zinc/53/37/31/691533731.db2.gz IAHKVCBOLAYMOE-VXGBXAGGSA-N 0 3 323.849 2.356 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccn(CC)c3C)C[C@H]21 ZINC001042195831 691533870 /nfs/dbraw/zinc/53/38/70/691533870.db2.gz CFEBOBQJFYHOAI-SJLPKXTDSA-N 0 3 313.445 2.376 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)Cc3occc3C)C[C@H]21 ZINC001042227757 691540028 /nfs/dbraw/zinc/54/00/28/691540028.db2.gz MENRDRRBJKXMJK-JKSUJKDBSA-N 0 3 300.402 2.077 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCc3cncs3)C[C@@H]21 ZINC001042237973 691543727 /nfs/dbraw/zinc/54/37/27/691543727.db2.gz OCIZOAXETSBCDP-ZBFHGGJFSA-N 0 3 317.458 2.022 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)Cc3ccsc3C)C[C@H]21 ZINC001042260290 691550757 /nfs/dbraw/zinc/55/07/57/691550757.db2.gz UUYOTTVVAAYUAQ-GOEBONIOSA-N 0 3 302.443 2.155 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc4cccnn43)C[C@H]21 ZINC001042261450 691551480 /nfs/dbraw/zinc/55/14/80/691551480.db2.gz UTAKZSFXVUTWFX-RHSMWYFYSA-N 0 3 310.401 2.057 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccn4ccnc34)C[C@H]21 ZINC001042264998 691553151 /nfs/dbraw/zinc/55/31/51/691553151.db2.gz 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691579434 /nfs/dbraw/zinc/57/94/34/691579434.db2.gz HIKMQTUBYSAWNS-GOEBONIOSA-N 0 3 318.392 2.313 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@H]21 ZINC001042360902 691582343 /nfs/dbraw/zinc/58/23/43/691582343.db2.gz YIHKDYHRTBTUAE-LSDHHAIUSA-N 0 3 317.458 2.320 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@H]21 ZINC001042371344 691584457 /nfs/dbraw/zinc/58/44/57/691584457.db2.gz PFUBBOXLNMEXRX-KHEZDBPNSA-N 0 3 312.457 2.225 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CCc3cscn3)C[C@H]21 ZINC001042372813 691584560 /nfs/dbraw/zinc/58/45/60/691584560.db2.gz AMXQSKQMFZQVQV-GOEBONIOSA-N 0 3 317.458 2.022 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccccc3N(C)C)C[C@@H]21 ZINC001042373826 691585377 /nfs/dbraw/zinc/58/53/77/691585377.db2.gz JCKDYDXMBRNUSH-QAPCUYQASA-N 0 3 313.445 2.475 20 30 DEEDHN CN(Cc1ccc(Cl)cc1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884053231 691642163 /nfs/dbraw/zinc/64/21/63/691642163.db2.gz PKRCHBZVTQZWJQ-XOYHFGRZSA-N 0 3 317.820 2.438 20 30 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315.392 2.172 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cncc(C#C)c1)C2 ZINC001045964765 692063738 /nfs/dbraw/zinc/06/37/38/692063738.db2.gz APJYPWNIASOCOC-FQEVSTJZSA-N 0 3 321.424 2.014 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@]1(C)CCOC1)C2 ZINC001045976071 692066756 /nfs/dbraw/zinc/06/67/56/692066756.db2.gz QLMRLGABYUVIJK-RTBURBONSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1nc(C)oc1C)C2 ZINC001045975367 692067254 /nfs/dbraw/zinc/06/72/54/692067254.db2.gz AXRYZJRBOZXJRM-SFHVURJKSA-N 0 3 315.417 2.243 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1nocc1C)C2 ZINC001045977909 692068033 /nfs/dbraw/zinc/06/80/33/692068033.db2.gz KYNYYMGZYFTUBZ-SFHVURJKSA-N 0 3 315.417 2.325 20 30 DEEDHN C#CCC1(NCc2cc3c(cc2OC)OCO3)CCOCC1 ZINC000886379045 692070044 /nfs/dbraw/zinc/07/00/44/692070044.db2.gz KYFMLLPQPQMAPG-UHFFFAOYSA-N 0 3 303.358 2.086 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)c3cscc3C)CC2)C1 ZINC001046016360 692074009 /nfs/dbraw/zinc/07/40/09/692074009.db2.gz 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CC#CCN1CCC[C@H](NC(=O)c2c(Cl)cnn2CC)CC1 ZINC001052409216 693528338 /nfs/dbraw/zinc/52/83/38/693528338.db2.gz MCEPGBUBAZCEAQ-ZDUSSCGKSA-N 0 3 322.840 2.164 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccnn2[C@H](C)CC)CC1 ZINC001052423638 693531410 /nfs/dbraw/zinc/53/14/10/693531410.db2.gz UFYRNWZHOVHNGT-HZPDHXFCSA-N 0 3 316.449 2.462 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc(COC)c2)CC1 ZINC001052534208 693560473 /nfs/dbraw/zinc/56/04/73/693560473.db2.gz FPYLKDAQNHVLKC-GOSISDBHSA-N 0 3 314.429 2.441 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(OC)cc2F)CC1 ZINC001052535632 693561273 /nfs/dbraw/zinc/56/12/73/693561273.db2.gz VTKOECXFIUZECH-ZDUSSCGKSA-N 0 3 304.365 2.052 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc3ncccc3o2)CC1 ZINC001052569092 693571484 /nfs/dbraw/zinc/57/14/84/693571484.db2.gz VJYTWLPUJZKQQH-CQSZACIVSA-N 0 3 311.385 2.435 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2nccc3occc32)CC1 ZINC001052582081 693573012 /nfs/dbraw/zinc/57/30/12/693573012.db2.gz HEHMWCSDUZUINL-CQSZACIVSA-N 0 3 311.385 2.435 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C2(C3CC3)CCOCC2)CC1 ZINC001052594485 693574552 /nfs/dbraw/zinc/57/45/52/693574552.db2.gz LKDYNPNGPPDUOB-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2coc(=O)c3ccccc23)CC1 ZINC001052615491 693580131 /nfs/dbraw/zinc/58/01/31/693580131.db2.gz NEUDQGUSZAVSID-CQSZACIVSA-N 0 3 324.380 2.011 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cncc(OC(C)C)c2)CC1 ZINC001052618946 693580352 /nfs/dbraw/zinc/58/03/52/693580352.db2.gz BAAIFFQMURKLQH-MRXNPFEDSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712520 693601240 /nfs/dbraw/zinc/60/12/40/693601240.db2.gz JPNGEHSCSGJQBQ-DZGCQCFKSA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)CC1 ZINC001052745826 693609002 /nfs/dbraw/zinc/60/90/02/693609002.db2.gz PERDVUFSZFYJHR-ZDUSSCGKSA-N 0 3 324.346 2.250 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(C)nn(CC)c2C)CC1 ZINC001052796380 693621276 /nfs/dbraw/zinc/62/12/76/693621276.db2.gz BIFTWWXCOKWRSN-MRXNPFEDSA-N 0 3 316.449 2.127 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cccnc2OC(C)C)CC1 ZINC001052983187 693661737 /nfs/dbraw/zinc/66/17/37/693661737.db2.gz FVEIJBFNHXJEPH-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cccn2C)C1 ZINC001053066666 693681891 /nfs/dbraw/zinc/68/18/91/693681891.db2.gz BWCZKNUNMWISJK-IAGOWNOFSA-N 0 3 313.445 2.365 20 30 DEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2COC[C@H]2C)c1 ZINC000932496809 694625826 /nfs/dbraw/zinc/62/58/26/694625826.db2.gz GGCMSXBLHYSCQB-NVXWUHKLSA-N 0 3 315.417 2.175 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C1 ZINC001332046945 1149812532 /nfs/dbraw/zinc/81/25/32/1149812532.db2.gz HTZMYKQKXPPEAG-CJNGLKHVSA-N 0 3 320.820 2.182 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)CCc2nccs2)CC1 ZINC001333014582 1149958452 /nfs/dbraw/zinc/95/84/52/1149958452.db2.gz NCYZFWKWWGVGPE-AWEZNQCLSA-N 0 3 319.474 2.316 20 30 DEEDHN C=CCOc1ccccc1CN[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001333723362 1150083499 /nfs/dbraw/zinc/08/34/99/1150083499.db2.gz GMRITQROJFHXGV-HIFRSBDPSA-N 0 3 309.431 2.164 20 30 DEEDHN COc1cc(C)cc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1O ZINC001333719053 1150083551 /nfs/dbraw/zinc/08/35/51/1150083551.db2.gz LEASUATXGZLNIG-ZIAGYGMSSA-N 0 3 303.406 2.127 20 30 DEEDHN N#CC(C(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)Nc1ccccn1 ZINC001342918885 1150627747 /nfs/dbraw/zinc/62/77/47/1150627747.db2.gz QBUIKOHDSPIETE-UMVBOHGHSA-N 0 3 313.357 2.077 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(C)(C)Cc1ccc(O)cc1 ZINC001347105038 1151042674 /nfs/dbraw/zinc/04/26/74/1151042674.db2.gz MHVAKUZTTXIRMN-UHFFFAOYSA-N 0 3 302.418 2.032 20 30 DEEDHN C#CC[C@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001348177959 1151128653 /nfs/dbraw/zinc/12/86/53/1151128653.db2.gz DTEDJNFBNWEENC-INIZCTEOSA-N 0 3 320.392 2.021 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H](CNC(=O)C2CCC2)C2CC2)c1 ZINC001479998569 1151326943 /nfs/dbraw/zinc/32/69/43/1151326943.db2.gz XSOVDJONQGNXCY-QGZVFWFLSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NC(=O)CN(CC)CC)C1 ZINC001351120308 1151472698 /nfs/dbraw/zinc/47/26/98/1151472698.db2.gz NFVBOTVNZKXZFY-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1nc(C)c(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)o1 ZINC001402867058 1162505558 /nfs/dbraw/zinc/50/55/58/1162505558.db2.gz MGPVIVXUIKMDMP-SECBINFHSA-N 0 3 318.402 2.133 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ncc(C#N)cc1Cl ZINC001362275850 1152866603 /nfs/dbraw/zinc/86/66/03/1152866603.db2.gz HXVGFLHONNJXPU-GFCCVEGCSA-N 0 3 306.797 2.211 20 30 DEEDHN C=C(Cl)Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001381549523 1153120457 /nfs/dbraw/zinc/12/04/57/1153120457.db2.gz GAXVVRDNFKAFNT-UHFFFAOYSA-N 0 3 309.845 2.404 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001381963147 1153291756 /nfs/dbraw/zinc/29/17/56/1153291756.db2.gz YPAATFHBCZHTOL-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN Cn1cncc1C1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001363333598 1153341071 /nfs/dbraw/zinc/34/10/71/1153341071.db2.gz RPKREJYGRLXCBB-GOSISDBHSA-N 0 3 310.401 2.205 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccncc1 ZINC001402950014 1162566475 /nfs/dbraw/zinc/56/64/75/1162566475.db2.gz ITTHKJHQEPVIST-NEPJUHHUSA-N 0 3 314.414 2.311 20 30 DEEDHN Cc1ccc(O[C@H]2CCN(C[C@H](O)c3cccc(C#N)c3)C2)nc1 ZINC001363809201 1153642553 /nfs/dbraw/zinc/64/25/53/1153642553.db2.gz OSYRUXJWGTYZTK-ROUUACIJSA-N 0 3 323.396 2.448 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2ccncc2)C1 ZINC001388682449 1155065491 /nfs/dbraw/zinc/06/54/91/1155065491.db2.gz PSCCUJLYRQFYNG-GASCZTMLSA-N 0 3 307.825 2.251 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccoc1)NCc1ccc(C#N)c(F)c1 ZINC001371160214 1155746900 /nfs/dbraw/zinc/74/69/00/1155746900.db2.gz OTSYBSCNJLHBIU-LBPRGKRZSA-N 0 3 315.348 2.127 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2cnccc2c1 ZINC001390683529 1155837394 /nfs/dbraw/zinc/83/73/94/1155837394.db2.gz VSBKLWGQZBNILP-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1ccncc1 ZINC001371700489 1155941120 /nfs/dbraw/zinc/94/11/20/1155941120.db2.gz OEWDYKDEFIILEH-LLVKDONJSA-N 0 3 312.211 2.088 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001403125145 1162760754 /nfs/dbraw/zinc/76/07/54/1162760754.db2.gz IWSWKWFIOCJWDO-GJZGRUSLSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)ncn2)CCCC1 ZINC001391761479 1156786363 /nfs/dbraw/zinc/78/63/63/1156786363.db2.gz LWZMSZUQKLRWNV-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1c(C)n[nH]c1C)C1CC1 ZINC001391800887 1156805381 /nfs/dbraw/zinc/80/53/81/1156805381.db2.gz VHOSIYKGNONOOZ-INIZCTEOSA-N 0 3 324.856 2.196 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001392924197 1157541929 /nfs/dbraw/zinc/54/19/29/1157541929.db2.gz KHQCUBSBRNQSJW-CYBMUJFWSA-N 0 3 307.344 2.184 20 30 DEEDHN COc1cccc(CN2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)c1C ZINC001393110291 1157692519 /nfs/dbraw/zinc/69/25/19/1157692519.db2.gz ZQMDPHSWDJMERR-UGSOOPFHSA-N 0 3 315.417 2.244 20 30 DEEDHN CCC1(NCc2nccs2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001393660591 1157895594 /nfs/dbraw/zinc/89/55/94/1157895594.db2.gz SUGUKMHWXUGWHY-GFCCVEGCSA-N 0 3 306.435 2.164 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC1(C)C ZINC001374750453 1158005115 /nfs/dbraw/zinc/00/51/15/1158005115.db2.gz UFXJXRXMJJPDKP-BXUZGUMPSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CCC(F)F ZINC001374919572 1158091331 /nfs/dbraw/zinc/09/13/31/1158091331.db2.gz QPQHCBYLKUVAND-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001375029336 1158220963 /nfs/dbraw/zinc/22/09/63/1158220963.db2.gz MHCAGNIPCPSHEK-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H](CNCc1cc(F)ccc1F)C1CC1 ZINC001394413895 1158502576 /nfs/dbraw/zinc/50/25/76/1158502576.db2.gz HFTMMSWGUJGBTE-ZBEGNZNMSA-N 0 3 321.371 2.451 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)CCCF ZINC001394439756 1158529480 /nfs/dbraw/zinc/52/94/80/1158529480.db2.gz SODVUKABCMEONF-LBPRGKRZSA-N 0 3 321.234 2.471 20 30 DEEDHN CS[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001375398450 1158569128 /nfs/dbraw/zinc/56/91/28/1158569128.db2.gz KFRHMOYXBVVBPL-LBPRGKRZSA-N 0 3 303.431 2.048 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001375571617 1158817189 /nfs/dbraw/zinc/81/71/89/1158817189.db2.gz SHRKDTDUTMGFCI-HONMWMINSA-N 0 3 324.856 2.367 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001375711734 1158853286 /nfs/dbraw/zinc/85/32/86/1158853286.db2.gz UPYQKLTVTAZXCN-IYXRBSQSSA-N 0 3 302.846 2.284 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001376623913 1159611067 /nfs/dbraw/zinc/61/10/67/1159611067.db2.gz MCNVFOPXXNHVPN-GXZBSRFJSA-N 0 3 301.365 2.093 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CCCOCC1)NCc1ccc(C#N)s1 ZINC001376721849 1159722479 /nfs/dbraw/zinc/72/24/79/1159722479.db2.gz YLBKGOVNHSGZEC-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](CNC(=O)CCC(F)F)NCc1ccc(C#N)c(F)c1 ZINC001376771657 1159783071 /nfs/dbraw/zinc/78/30/71/1159783071.db2.gz BXFRLRNWGOLBIT-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001397076500 1159948877 /nfs/dbraw/zinc/94/88/77/1159948877.db2.gz LYSLYOYYEJPJGK-HZSPNIEDSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1OCC ZINC001397179340 1160036729 /nfs/dbraw/zinc/03/67/29/1160036729.db2.gz WXSDGNKRWMHCQU-RBSFLKMASA-N 0 3 316.873 2.484 20 30 DEEDHN COc1cccc(Cl)c1CN[C@@H](C)CCNC(=O)[C@@H](C)C#N ZINC001377416363 1160345687 /nfs/dbraw/zinc/34/56/87/1160345687.db2.gz MULXESLGYOTJJJ-RYUDHWBXSA-N 0 3 323.824 2.493 20 30 DEEDHN COc1cccc(Cl)c1CN[C@@H](C)CCNC(=O)[C@H](C)C#N ZINC001377416361 1160347331 /nfs/dbraw/zinc/34/73/31/1160347331.db2.gz MULXESLGYOTJJJ-NEPJUHHUSA-N 0 3 323.824 2.493 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cnsn1 ZINC001398196583 1160814450 /nfs/dbraw/zinc/81/44/50/1160814450.db2.gz SVJSZTQCWVQZJE-CMPLNLGQSA-N 0 3 314.842 2.263 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001398752072 1161090281 /nfs/dbraw/zinc/09/02/81/1161090281.db2.gz JKMBHSWCQVJFNX-LSDHHAIUSA-N 0 3 315.889 2.296 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)CN2CCCC2)C1 ZINC001398794696 1161105531 /nfs/dbraw/zinc/10/55/31/1161105531.db2.gz PRXOMXNBKKEKIE-HUUCEWRRSA-N 0 3 313.873 2.051 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001398925994 1161154209 /nfs/dbraw/zinc/15/42/09/1161154209.db2.gz ONWJKNVGDHSKDJ-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)Cc1ccc2ncccc2c1 ZINC001401360240 1161950513 /nfs/dbraw/zinc/95/05/13/1161950513.db2.gz UZZBBIXBCFRFGP-AWEZNQCLSA-N 0 3 310.401 2.285 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@](C)(CNCc2c(F)cccc2F)C1 ZINC001402169999 1162273632 /nfs/dbraw/zinc/27/36/32/1162273632.db2.gz ZLCYRKRUTPUXFJ-YVEFUNNKSA-N 0 3 321.371 2.453 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)[C@H]1CCc2ccc(F)cc21 ZINC001492927170 1163372547 /nfs/dbraw/zinc/37/25/47/1163372547.db2.gz RHDZDCCXKMOSCN-WBMJQRKESA-N 0 3 303.381 2.411 20 30 DEEDHN CCCN(CCNC(=O)c1ccon1)Cc1ccc(C#N)cc1 ZINC001404112087 1163458734 /nfs/dbraw/zinc/45/87/34/1163458734.db2.gz RJKSFCUBYYIIIO-UHFFFAOYSA-N 0 3 312.373 2.188 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)C#N)NCc1cccc(OC)c1Cl ZINC001405216955 1164017005 /nfs/dbraw/zinc/01/70/05/1164017005.db2.gz REUACONFZNZMKB-DGCLKSJQSA-N 0 3 323.824 2.493 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001405235886 1164024415 /nfs/dbraw/zinc/02/44/15/1164024415.db2.gz ZEGKZELBXSXQHR-WFASDCNBSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)COc2cccnc2)CCCC1 ZINC001405407369 1164075489 /nfs/dbraw/zinc/07/54/89/1164075489.db2.gz DZSGVWRLWNQICU-UHFFFAOYSA-N 0 3 323.824 2.232 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2ccncc2Cl)CC1 ZINC001405507262 1164125144 /nfs/dbraw/zinc/12/51/44/1164125144.db2.gz QWTWFECAZOSUCK-UBHSHLNASA-N 0 3 320.824 2.412 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC1CCC1 ZINC001406354111 1164550631 /nfs/dbraw/zinc/55/06/31/1164550631.db2.gz WLMIDSQMPKNXEQ-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1ocnc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406586512 1164701382 /nfs/dbraw/zinc/70/13/82/1164701382.db2.gz WCRCRAQUZFZRCZ-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)CCOc1cccc(Cl)c1 ZINC001406597258 1164716857 /nfs/dbraw/zinc/71/68/57/1164716857.db2.gz XZKYCFJMLXHNGS-STQMWFEESA-N 0 3 323.824 2.315 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)C2CC2)C2CC2)cc1F ZINC001406737578 1164812220 /nfs/dbraw/zinc/81/22/20/1164812220.db2.gz TWMOZIXNHNFSRG-INIZCTEOSA-N 0 3 301.365 2.092 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3cccnc3)CC2)cc1 ZINC001406891249 1164871401 /nfs/dbraw/zinc/87/14/01/1164871401.db2.gz FULKNXGWJDHKDV-UHFFFAOYSA-N 0 3 306.369 2.005 20 30 DEEDHN Cc1ncc(CN2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)s1 ZINC001407254478 1165068907 /nfs/dbraw/zinc/06/89/07/1165068907.db2.gz BCMUNLQHKKLEPH-GFCCVEGCSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001408208765 1165533538 /nfs/dbraw/zinc/53/35/38/1165533538.db2.gz ZZQDBDCCMIQZAB-NSHDSACASA-N 0 3 311.813 2.255 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001417761524 1167195364 /nfs/dbraw/zinc/19/53/64/1167195364.db2.gz LKDONTMADYYYNE-COPLHBTASA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1OCC ZINC001417812856 1167229708 /nfs/dbraw/zinc/22/97/08/1167229708.db2.gz FXLHFWMCPMFXRA-MGPQQGTHSA-N 0 3 314.857 2.238 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001417893595 1167288447 /nfs/dbraw/zinc/28/84/47/1167288447.db2.gz XMZMPXFKOBOUOD-JSGCOSHPSA-N 0 3 310.829 2.145 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001418208088 1167490684 /nfs/dbraw/zinc/49/06/84/1167490684.db2.gz ZKNUWCJGGLAVTA-DOMZBBRYSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001419506024 1168548920 /nfs/dbraw/zinc/54/89/20/1168548920.db2.gz LCNQRSGUHAGEOA-KFWWJZLASA-N 0 3 324.856 2.440 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2ccn(C)n2)CCCC1 ZINC001419608225 1168667819 /nfs/dbraw/zinc/66/78/19/1168667819.db2.gz MSALIRCJQJWJNJ-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C[C@@H](CNC(=O)CCC1CC1)NCc1ccc(F)c(C#N)c1 ZINC001419721249 1168819935 /nfs/dbraw/zinc/81/99/35/1168819935.db2.gz PMCPJYUFONAZSR-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(Cl)no1)C(C)C ZINC001419932460 1168952291 /nfs/dbraw/zinc/95/22/91/1168952291.db2.gz ASCMPSBFOKVFNM-SECBINFHSA-N 0 3 306.193 2.425 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001420482790 1169634290 /nfs/dbraw/zinc/63/42/90/1169634290.db2.gz XKWKCZNNLUTPTK-CJNGLKHVSA-N 0 3 303.381 2.396 20 30 DEEDHN CCO[C@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001420726043 1171088118 /nfs/dbraw/zinc/08/81/18/1171088118.db2.gz KBDRTACMUPCXQW-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN CCc1nc(C)c(CN2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001421816963 1172012791 /nfs/dbraw/zinc/01/27/91/1172012791.db2.gz FBYDAMPACSBTQC-GXTWGEPZSA-N 0 3 318.421 2.176 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCC(C)(F)F)CCOCC1 ZINC001422004307 1172224059 /nfs/dbraw/zinc/22/40/59/1172224059.db2.gz QDDNTQSWMCBRAH-UHFFFAOYSA-N 0 3 324.799 2.429 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccccn1)C1CCCCC1 ZINC001422039479 1172248291 /nfs/dbraw/zinc/24/82/91/1172248291.db2.gz XCVCLXIGQDVYEZ-WMLDXEAASA-N 0 3 314.433 2.396 20 30 DEEDHN COCC(=O)NC[C@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC001422689196 1172810640 /nfs/dbraw/zinc/81/06/40/1172810640.db2.gz LFKRBICAWAKZIP-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN Cn1cc([C@@H]2C[C@H]2CN2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC001423378616 1173315601 /nfs/dbraw/zinc/31/56/01/1173315601.db2.gz CVVCFVTVJQPHNZ-QFBILLFUSA-N 0 3 321.428 2.217 20 30 DEEDHN Cc1noc(C)c1CNC[C@H](NC(=O)[C@@H](C)C#N)C1CCCC1 ZINC001423518183 1173384670 /nfs/dbraw/zinc/38/46/70/1173384670.db2.gz SKGFDCZCJWNNRX-ZBEGNZNMSA-N 0 3 318.421 2.216 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(C2CCN(CCC(F)(F)F)CC2)CC1 ZINC001423695493 1173496585 /nfs/dbraw/zinc/49/65/85/1173496585.db2.gz VUZVKSYLZLOGPD-NSHDSACASA-N 0 3 317.355 2.459 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C[C@H](C)CC)CC1 ZINC001424532396 1173822011 /nfs/dbraw/zinc/82/20/11/1173822011.db2.gz XMRPCTRMWOZXIW-GFCCVEGCSA-N 0 3 302.846 2.118 20 30 DEEDHN CCOCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001424549240 1173827493 /nfs/dbraw/zinc/82/74/93/1173827493.db2.gz WPRQBRLDCACQTP-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ncc(F)cc2F)C1 ZINC001424723621 1173887362 /nfs/dbraw/zinc/88/73/62/1173887362.db2.gz DFYPUNWTDLAKOP-UHFFFAOYSA-N 0 3 315.751 2.210 20 30 DEEDHN Cc1cccc(CN(C)[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)c1 ZINC001424928009 1174036922 /nfs/dbraw/zinc/03/69/22/1174036922.db2.gz GTVJIASLPWIVJG-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1ccc(F)cc1 ZINC001424941332 1174046754 /nfs/dbraw/zinc/04/67/54/1174046754.db2.gz XJKIBWCNCWGXKZ-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CN(Cc2cccc3cccnc32)C1 ZINC001425233054 1174249998 /nfs/dbraw/zinc/24/99/98/1174249998.db2.gz MRSYKDSVFWLFBV-ZIAGYGMSSA-N 0 3 322.412 2.331 20 30 DEEDHN CC(F)(F)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001425333775 1174290459 /nfs/dbraw/zinc/29/04/59/1174290459.db2.gz VQHMIYVFVDGMHU-QKDCVEJESA-N 0 3 319.355 2.007 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001426148647 1174618502 /nfs/dbraw/zinc/61/85/02/1174618502.db2.gz ZLRNWTUPXSYYDE-RISCZKNCSA-N 0 3 306.385 2.001 20 30 DEEDHN COc1cc(CN[C@@]23CCC[C@]2(OC)OCC3)ccc1C#N ZINC001434539388 1178802108 /nfs/dbraw/zinc/80/21/08/1178802108.db2.gz LAVIFYNOMPPRMP-SJORKVTESA-N 0 3 302.374 2.342 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CCN1CCc1ccccc1F ZINC001436436267 1179095545 /nfs/dbraw/zinc/09/55/45/1179095545.db2.gz IYCWQSPKGSRFAT-RRQGHBQHSA-N 0 3 317.408 2.497 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](CC)N(C)C)[C@H]1CC ZINC001436442164 1179101944 /nfs/dbraw/zinc/10/19/44/1179101944.db2.gz VYIJCJXOZQCWQC-BFHYXJOUSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)COC)C1 ZINC001436472870 1179127151 /nfs/dbraw/zinc/12/71/51/1179127151.db2.gz NEHRPMPVHJNCSY-JSGCOSHPSA-N 0 3 302.846 2.382 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001436769771 1179230971 /nfs/dbraw/zinc/23/09/71/1179230971.db2.gz PRWYNEMCZPENDH-IINYFYTJSA-N 0 3 323.487 2.356 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)SC)Cc1cccc(C#N)c1 ZINC001437572098 1179850718 /nfs/dbraw/zinc/85/07/18/1179850718.db2.gz BGLSJDOBZWULOV-CYBMUJFWSA-N 0 3 305.447 2.248 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccnn1CC)C1CC1 ZINC001438416530 1180403782 /nfs/dbraw/zinc/40/37/82/1180403782.db2.gz VCHCNWNODZZWQE-HNNXBMFYSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cnc1C ZINC001438772283 1180809140 /nfs/dbraw/zinc/80/91/40/1180809140.db2.gz LOVGQOBSTLRXEV-ABAIWWIYSA-N 0 3 324.856 2.230 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccn2ccnc12)C(C)C ZINC001438833895 1180825046 /nfs/dbraw/zinc/82/50/46/1180825046.db2.gz XVUFSMXSMVRFHP-AWEZNQCLSA-N 0 3 320.824 2.431 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC001580050658 1180870145 /nfs/dbraw/zinc/87/01/45/1180870145.db2.gz HXNCJSBGMFPRGG-DTWKUNHWSA-N 0 3 320.340 2.274 20 30 DEEDHN C[C@@H](CNCc1cc(F)cc(F)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001439209488 1180939654 /nfs/dbraw/zinc/93/96/54/1180939654.db2.gz ODMOZSMKVCSJMB-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(N[C@@H]2CCc3c2cccc3F)CC1 ZINC001439595246 1181161765 /nfs/dbraw/zinc/16/17/65/1181161765.db2.gz CQBIVOSFARFSHW-XHDPSFHLSA-N 0 3 301.365 2.211 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@H](C)CO1 ZINC001440872035 1181737891 /nfs/dbraw/zinc/73/78/91/1181737891.db2.gz CHUNYJSMXICZMP-WCQYABFASA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001440990685 1181814602 /nfs/dbraw/zinc/81/46/02/1181814602.db2.gz IJHLBTBVADSPCZ-OCCSQVGLSA-N 0 3 310.829 2.064 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001440990681 1181814971 /nfs/dbraw/zinc/81/49/71/1181814971.db2.gz IJHLBTBVADSPCZ-GXTWGEPZSA-N 0 3 310.829 2.064 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441511884 1182033090 /nfs/dbraw/zinc/03/30/90/1182033090.db2.gz MLOZCMDQLPBPJV-MLGOLLRUSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001441630961 1182100034 /nfs/dbraw/zinc/10/00/34/1182100034.db2.gz JKMBHSWCQVJFNX-CABCVRRESA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001441736618 1182141796 /nfs/dbraw/zinc/14/17/96/1182141796.db2.gz VYKISILARCOMSO-FYCIJCNTSA-N 0 3 304.221 2.482 20 30 DEEDHN C[C@H](CNC(=O)CC[C@@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001441761984 1182150735 /nfs/dbraw/zinc/15/07/35/1182150735.db2.gz KLKNBSZGMBHTMF-OLZOCXBDSA-N 0 3 321.446 2.173 20 30 DEEDHN COCCC(C)(C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001441991422 1182278471 /nfs/dbraw/zinc/27/84/71/1182278471.db2.gz ZGOCRQPRYDESOB-LBPRGKRZSA-N 0 3 323.462 2.277 20 30 DEEDHN C[C@H](CCNC(=O)[C@H]1C[C@@H]1C)NCc1cc(C#N)ccc1F ZINC001442290194 1182407677 /nfs/dbraw/zinc/40/76/77/1182407677.db2.gz UIYBDEPAWUBBDF-ZOWXZIJZSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2cc(C)no2)CC1 ZINC001442298068 1182409527 /nfs/dbraw/zinc/40/95/27/1182409527.db2.gz VFLDLKSPXFUHJT-LLVKDONJSA-N 0 3 311.813 2.252 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ncccc1F)C1CC1 ZINC001444139622 1183297361 /nfs/dbraw/zinc/29/73/61/1183297361.db2.gz YXTIOXWDAFWZDQ-HNNXBMFYSA-N 0 3 311.788 2.461 20 30 DEEDHN C[C@H](CNC/C(Cl)=C\Cl)CNC(=O)c1c[nH]c(C#N)c1 ZINC001444292354 1183333776 /nfs/dbraw/zinc/33/37/76/1183333776.db2.gz HMFKIMXOQFLYCU-HBAUCTPOSA-N 0 3 315.204 2.161 20 30 DEEDHN COc1ccc(F)cc1CN[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C ZINC001444859393 1183599449 /nfs/dbraw/zinc/59/94/49/1183599449.db2.gz IHFIXIPGMFKXDQ-WFASDCNBSA-N 0 3 321.396 2.224 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@]12C[C@H]1CCC2 ZINC001445578706 1183915882 /nfs/dbraw/zinc/91/58/82/1183915882.db2.gz UNZUJRLGDUDXQZ-WBHUJUFNSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1ccccn1)C1CCCC1 ZINC001446501086 1184377908 /nfs/dbraw/zinc/37/79/08/1184377908.db2.gz SGYWODOBOZORDQ-BBRMVZONSA-N 0 3 300.406 2.006 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccnnc1C ZINC001447964392 1184981140 /nfs/dbraw/zinc/98/11/40/1184981140.db2.gz GQVFKUHCSSIGDG-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](CC(C)C)OC)C1 ZINC001449382594 1185690733 /nfs/dbraw/zinc/69/07/33/1185690733.db2.gz FQCDVBZCGWWXTN-RUXDESIVSA-N 0 3 302.846 2.379 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001077500535 782238897 /nfs/dbraw/zinc/23/88/97/782238897.db2.gz KVUWEZRXEJAMSX-HZPDHXFCSA-N 0 3 320.408 2.184 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CCC)OC ZINC001099171543 782391581 /nfs/dbraw/zinc/39/15/81/782391581.db2.gz QYYXCGOKOPMUTI-JKSUJKDBSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](CN[C@H](C)c2nnc(C)[nH]2)[C@H](C)C1 ZINC001106194354 782492583 /nfs/dbraw/zinc/49/25/83/782492583.db2.gz LFBJGMMPNAENJB-UMVBOHGHSA-N 0 3 319.453 2.215 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3COC)C2)C1 ZINC001072894551 790291609 /nfs/dbraw/zinc/29/16/09/790291609.db2.gz XKKABYQAVGPKDJ-UHFFFAOYSA-N 0 3 300.402 2.167 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](N[C@H](CCCC)C(N)=O)C(C)(C)C1 ZINC001332405861 1149857368 /nfs/dbraw/zinc/85/73/68/1149857368.db2.gz ZHQPWZGUZHEDDA-ZIAGYGMSSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](N[C@@H](C)C(=O)NCCC)C(C)(C)C1 ZINC001332413534 1149858095 /nfs/dbraw/zinc/85/80/95/1149858095.db2.gz OPMLSOMEKAKGAD-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NC/C=C/Cl)C(C)(C)C2)cn1 ZINC001332437257 1149860159 /nfs/dbraw/zinc/86/01/59/1149860159.db2.gz LUCDJBYDRIXEHS-PXTSUWAFSA-N 0 3 317.820 2.256 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(-c4cccnc4)on3)C2)C1 ZINC001072933078 790308926 /nfs/dbraw/zinc/30/89/26/790308926.db2.gz IRJUQFDQBUFHQJ-UHFFFAOYSA-N 0 3 324.384 2.071 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC(=C)C)C1 ZINC001333016531 1149959852 /nfs/dbraw/zinc/95/98/52/1149959852.db2.gz YDKIZOWLSFBHLB-QWHCGFSZSA-N 0 3 320.355 2.134 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncnc2C)CC(C)(C)C1 ZINC001089324384 782636292 /nfs/dbraw/zinc/63/62/92/782636292.db2.gz LLEZFVGRPKIPBV-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106567337 782787345 /nfs/dbraw/zinc/78/73/45/782787345.db2.gz DPWQCCXODYBEGX-MGPQQGTHSA-N 0 3 322.478 2.325 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](CN[C@H](C)c2nnc(C)[nH]2)[C@H](C)C1 ZINC001106611717 782811720 /nfs/dbraw/zinc/81/17/20/782811720.db2.gz BTMQLWKIIRQBKR-UMVBOHGHSA-N 0 3 319.453 2.215 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2CCC)CC(C)(C)C1 ZINC001089398830 783067677 /nfs/dbraw/zinc/06/76/77/783067677.db2.gz OWKPKHHFAVLPIE-HNNXBMFYSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C2CC2)C[C@@H]1C ZINC000947357818 783115745 /nfs/dbraw/zinc/11/57/45/783115745.db2.gz XARVBVCZPGGRQT-GXTWGEPZSA-N 0 3 302.422 2.066 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc3nccn3c2C)C[C@@H]1C ZINC000947403938 783127574 /nfs/dbraw/zinc/12/75/74/783127574.db2.gz IZGANDFXLVAYHV-WCQYABFASA-N 0 3 318.446 2.473 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(OC)CC2)CC(C)(C)C1 ZINC001089473128 783140266 /nfs/dbraw/zinc/14/02/66/783140266.db2.gz SPMINUHUKWVJIN-AQFXKWCLSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2conc2C2CC2)CC(C)(C)C1 ZINC001089487925 783154452 /nfs/dbraw/zinc/15/44/52/783154452.db2.gz QCKZFWQRGJQUOX-CQSZACIVSA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2coc(C(F)(F)F)n2)C[C@@H]1C ZINC000947502355 783154458 /nfs/dbraw/zinc/15/44/58/783154458.db2.gz NLASCODOEIIUCS-UWVGGRQHSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)onc2C2CC2)C[C@@H]1C ZINC000947555342 783173167 /nfs/dbraw/zinc/17/31/67/783173167.db2.gz JNHIZKBNYMPEJY-SWLSCSKDSA-N 0 3 315.417 2.466 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnoc2CC)CC(C)(C)C1 ZINC001089508161 783174096 /nfs/dbraw/zinc/17/40/96/783174096.db2.gz VBKMSARFHJKBCQ-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C[C@@H]1C ZINC000947564254 783176392 /nfs/dbraw/zinc/17/63/92/783176392.db2.gz OIYFSIXPLGJOHJ-GJZGRUSLSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)CC(C)(C)C1 ZINC001089516859 783177509 /nfs/dbraw/zinc/17/75/09/783177509.db2.gz JBZJMQMLHLRADV-ULQDDVLXSA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3cccnc32)CC(C)(C)C1 ZINC001089540090 783191019 /nfs/dbraw/zinc/19/10/19/783191019.db2.gz QZKYNNGQCDCLKV-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000947666966 783202143 /nfs/dbraw/zinc/20/21/43/783202143.db2.gz NVUJEMHYAVTGPN-IUODEOHRSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ocnc2C2CC2)C[C@@H]1C ZINC000947722249 783212894 /nfs/dbraw/zinc/21/28/94/783212894.db2.gz HENSLMHIPOUDDU-GXTWGEPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c(C)c2Cl)C[C@H]1C ZINC000947761289 783227182 /nfs/dbraw/zinc/22/71/82/783227182.db2.gz ITHKRKBMDYYRGC-PWSUYJOCSA-N 0 3 310.829 2.151 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CO[C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC001073026728 790397545 /nfs/dbraw/zinc/39/75/45/790397545.db2.gz NXRIWEMUSJBQHR-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCOc4ccccc43)C2)C1 ZINC001073059713 790423860 /nfs/dbraw/zinc/42/38/60/790423860.db2.gz RIJJVQTUIVENOS-MRXNPFEDSA-N 0 3 312.413 2.273 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(-n4ccnc4)c3)C2)C1 ZINC001073101573 790455867 /nfs/dbraw/zinc/45/58/67/790455867.db2.gz ROZSWHSWYUCUIH-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001167180304 776753324 /nfs/dbraw/zinc/75/33/24/776753324.db2.gz WZHBCHHKIOJKQU-UHFFFAOYSA-N 0 3 323.824 2.338 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001167348776 776937528 /nfs/dbraw/zinc/93/75/28/776937528.db2.gz UPFSRJCPEFIQJL-AWEZNQCLSA-N 0 3 324.856 2.463 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCC)C1 ZINC001207062882 776949477 /nfs/dbraw/zinc/94/94/77/776949477.db2.gz HQXZXOKJCFSRGB-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCC)C1 ZINC001207062879 776949737 /nfs/dbraw/zinc/94/97/37/776949737.db2.gz HQXZXOKJCFSRGB-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncc(F)c1 ZINC001087136313 777028771 /nfs/dbraw/zinc/02/87/71/777028771.db2.gz QGPUDERQPLMSKP-WWGRRREGSA-N 0 3 318.396 2.097 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001073182936 790504588 /nfs/dbraw/zinc/50/45/88/790504588.db2.gz IMXOFDJJKAKVHT-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000971390728 777093163 /nfs/dbraw/zinc/09/31/63/777093163.db2.gz HSEAKZBEQDRCOW-SFHVURJKSA-N 0 3 323.396 2.427 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC001136887245 790519196 /nfs/dbraw/zinc/51/91/96/790519196.db2.gz OHBHWEFAPLFARY-GOSISDBHSA-N 0 3 302.418 2.443 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)C=C(CC)CC ZINC001125592461 777327747 /nfs/dbraw/zinc/32/77/47/777327747.db2.gz GMYAJWNYOVBDPE-OAHLLOKOSA-N 0 3 323.481 2.252 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H](O)C1 ZINC001090783208 790528842 /nfs/dbraw/zinc/52/88/42/790528842.db2.gz KJFBYOQCWHBIMC-JKSUJKDBSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H](O)C1 ZINC001090793338 790544109 /nfs/dbraw/zinc/54/41/09/790544109.db2.gz IYRHZFKPLORNRR-DLBZAZTESA-N 0 3 316.445 2.092 20 30 DEEDHN C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)[C@@H]1CCCN1C ZINC001104502401 777561997 /nfs/dbraw/zinc/56/19/97/777561997.db2.gz NNPVSZVBNZDENA-LRDDRELGSA-N 0 3 318.396 2.050 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001100653112 777588933 /nfs/dbraw/zinc/58/89/33/777588933.db2.gz QQQTZBFKGJFAGB-RUXDESIVSA-N 0 3 302.846 2.284 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3ccc(C)c(C)c3)[C@H]2C1 ZINC001083264845 777643997 /nfs/dbraw/zinc/64/39/97/777643997.db2.gz VFLOGPYNAYJPPT-ZWKOTPCHSA-N 0 3 314.429 2.405 20 30 DEEDHN N#Cc1ccc(C(=O)NCCNCc2cc3ccccc3o2)[nH]1 ZINC001125775813 777646108 /nfs/dbraw/zinc/64/61/08/777646108.db2.gz AYNYXJPMOIVARM-UHFFFAOYSA-N 0 3 308.341 2.152 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3coc(CC)n3)C(C)(C)[C@H]21 ZINC001087282013 777714292 /nfs/dbraw/zinc/71/42/92/777714292.db2.gz PWUVIELZZQDAGA-WQVCFCJDSA-N 0 3 315.417 2.089 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001090825031 790577309 /nfs/dbraw/zinc/57/73/09/790577309.db2.gz PPDNMNUXWWADHW-NDUQDZPOSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C ZINC001104771954 778169174 /nfs/dbraw/zinc/16/91/74/778169174.db2.gz QPRKJVBXHZDTTR-IUODEOHRSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)CCC(=C)C)C2)nn1 ZINC001105254167 778402399 /nfs/dbraw/zinc/40/23/99/778402399.db2.gz RNZKOWDMCBMOOU-UHFFFAOYSA-N 0 3 317.437 2.074 20 30 DEEDHN C=CCCCC(=O)N1CC(n2cc(CNC[C@@H](C)CC)nn2)C1 ZINC001105317305 778442479 /nfs/dbraw/zinc/44/24/79/778442479.db2.gz RPMFCXHZVLJVDL-AWEZNQCLSA-N 0 3 319.453 2.153 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001125967426 778470360 /nfs/dbraw/zinc/47/03/60/778470360.db2.gz WESBXTQPTYONMB-UHFFFAOYSA-N 0 3 315.417 2.044 20 30 DEEDHN CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001087425526 778606743 /nfs/dbraw/zinc/60/67/43/778606743.db2.gz AJDFLIZKWGFJDX-SJLPKXTDSA-N 0 3 322.412 2.494 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(F)c(C#N)c2)co1 ZINC001126233021 778622771 /nfs/dbraw/zinc/62/27/71/778622771.db2.gz QUJOPNOOCACIPZ-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)Oc3ccc(F)cc3)C2)C1 ZINC001073415463 790644184 /nfs/dbraw/zinc/64/41/84/790644184.db2.gz ZWGGHXRXMZDFAG-AWEZNQCLSA-N 0 3 318.392 2.313 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1C(F)(F)F ZINC001112119389 778820014 /nfs/dbraw/zinc/82/00/14/778820014.db2.gz SUZRWPLLCLACOL-CHWSQXEVSA-N 0 3 314.351 2.179 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001126365111 778838604 /nfs/dbraw/zinc/83/86/04/778838604.db2.gz FZJFYCVGXOJGBK-HNNXBMFYSA-N 0 3 314.788 2.012 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000983411913 779078737 /nfs/dbraw/zinc/07/87/37/779078737.db2.gz NXZSBAPNXLDNJV-PZJWPPBQSA-N 0 3 322.452 2.448 20 30 DEEDHN Cc1cccc(CN2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c1 ZINC001075774502 779200579 /nfs/dbraw/zinc/20/05/79/779200579.db2.gz CQONBAPQSWFDKD-RBUKOAKNSA-N 0 3 308.425 2.441 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001211864748 779238183 /nfs/dbraw/zinc/23/81/83/779238183.db2.gz VWQAKGLTNRFETC-YSVLISHTSA-N 0 3 318.417 2.176 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001211864748 779238187 /nfs/dbraw/zinc/23/81/87/779238187.db2.gz VWQAKGLTNRFETC-YSVLISHTSA-N 0 3 318.417 2.176 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001211864747 779238952 /nfs/dbraw/zinc/23/89/52/779238952.db2.gz VWQAKGLTNRFETC-FRFSOERESA-N 0 3 318.417 2.176 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001211864747 779238956 /nfs/dbraw/zinc/23/89/56/779238956.db2.gz VWQAKGLTNRFETC-FRFSOERESA-N 0 3 318.417 2.176 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnn3C3CCC3)[C@@H]2C1 ZINC001075800906 779285388 /nfs/dbraw/zinc/28/53/88/779285388.db2.gz JLLYLEVZPFJDBV-WMLDXEAASA-N 0 3 314.433 2.331 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1C(F)(F)F ZINC001112163315 779309944 /nfs/dbraw/zinc/30/99/44/779309944.db2.gz RWJDURQCUWQKKE-CHWSQXEVSA-N 0 3 314.351 2.179 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2sccc2CN(C)C)[C@H]1CC ZINC001087588805 779366572 /nfs/dbraw/zinc/36/65/72/779366572.db2.gz PYHQYWJEZAVRNO-LSDHHAIUSA-N 0 3 319.474 2.026 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2n[nH]c(CC)c2Cl)[C@H]1CC ZINC001087606260 779375535 /nfs/dbraw/zinc/37/55/35/779375535.db2.gz NHIRJWZPFWMIIQ-QWHCGFSZSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3cccn3cn2)[C@H]1CC ZINC001087620580 779382032 /nfs/dbraw/zinc/38/20/32/779382032.db2.gz LNPCBORCHGAVBM-DOTOQJQBSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1CC ZINC001087662004 779399870 /nfs/dbraw/zinc/39/98/70/779399870.db2.gz NMEUKXIXWGGRDY-DZGCQCFKSA-N 0 3 311.385 2.434 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C[C@@H]2C1 ZINC001087921930 779546847 /nfs/dbraw/zinc/54/68/47/779546847.db2.gz RTNSAVOCIZNBAM-WKULXVSPSA-N 0 3 300.446 2.226 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@@H]2C1 ZINC001087972790 779583092 /nfs/dbraw/zinc/58/30/92/779583092.db2.gz XMGXYGXXPVHTAG-MTHXSQLBSA-N 0 3 312.457 2.392 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCc3ccc(F)cc3)C[C@@H]2C1 ZINC001088029739 779645371 /nfs/dbraw/zinc/64/53/71/779645371.db2.gz BTMNNYHZXOIEQN-SJORKVTESA-N 0 3 314.404 2.172 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@@H]2C1 ZINC001088034002 779648044 /nfs/dbraw/zinc/64/80/44/779648044.db2.gz NITBRIPDLVTEFU-KGLIPLIRSA-N 0 3 319.836 2.096 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COCC(F)F)C12CCC2 ZINC001203220013 779662872 /nfs/dbraw/zinc/66/28/72/779662872.db2.gz HTUDFKXFEASVKC-QWRGUYRKSA-N 0 3 322.783 2.038 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(F)ccc(F)c3F)C[C@@H]2C1 ZINC001088085582 779691074 /nfs/dbraw/zinc/69/10/74/779691074.db2.gz ULNPBAHTDXPIRX-NEPJUHHUSA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccsc3)C[C@@H]2C1 ZINC001088103952 779703475 /nfs/dbraw/zinc/70/34/75/779703475.db2.gz OCZKEDVZBYCKPS-FMKPAKJESA-N 0 3 302.443 2.265 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]2C1 ZINC001088177703 779755939 /nfs/dbraw/zinc/75/59/39/779755939.db2.gz QNNWWJNOLOYODT-OLZOCXBDSA-N 0 3 316.367 2.379 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccco3)C[C@@H]2C1 ZINC001088173149 779756226 /nfs/dbraw/zinc/75/62/26/779756226.db2.gz UXYKRQLELRNZBE-OAGGEKHMSA-N 0 3 300.402 2.187 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccccc3OCC)C[C@@H]2C1 ZINC001088187568 779764605 /nfs/dbraw/zinc/76/46/05/779764605.db2.gz GIJHEUKKQVXXJG-CVEARBPZSA-N 0 3 312.413 2.112 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4cnccc43)C[C@@H]2C1 ZINC001088201103 779769843 /nfs/dbraw/zinc/76/98/43/779769843.db2.gz LBGUARQINFCZAQ-SJORKVTESA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cnc(CC)s3)C[C@@H]2C1 ZINC001088217916 779778175 /nfs/dbraw/zinc/77/81/75/779778175.db2.gz HCUIKWHJSWCGHJ-KGLIPLIRSA-N 0 3 317.458 2.123 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001088225287 779779917 /nfs/dbraw/zinc/77/99/17/779779917.db2.gz 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C=CCCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H]1OC ZINC001212022464 780590891 /nfs/dbraw/zinc/59/08/91/780590891.db2.gz SCJLSHIIYRPOQO-FGTMMUONSA-N 0 3 314.429 2.456 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001073714252 790811429 /nfs/dbraw/zinc/81/14/29/790811429.db2.gz POFIUXWUAFNXCF-HNNXBMFYSA-N 0 3 318.417 2.165 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c(CC)noc2CC)[C@H]1C ZINC001088628367 780667774 /nfs/dbraw/zinc/66/77/74/780667774.db2.gz PCWCLOACKWHJEN-DOMZBBRYSA-N 0 3 305.422 2.107 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)[C@H]1C ZINC001088636216 780670765 /nfs/dbraw/zinc/67/07/65/780670765.db2.gz NMDNXYAJZHGVRD-DOMZBBRYSA-N 0 3 304.365 2.050 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)[C@H]1C ZINC001088654736 780692477 /nfs/dbraw/zinc/69/24/77/780692477.db2.gz XJMQYUJFINEBBL-NUJGCVRESA-N 0 3 313.445 2.278 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnn2-c2ccccc2)[C@H]1C ZINC001088665970 780699957 /nfs/dbraw/zinc/69/99/57/780699957.db2.gz 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C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(OC)c3)[C@@H]2C1 ZINC001076493511 781286094 /nfs/dbraw/zinc/28/60/94/781286094.db2.gz JOLZSSRURHBJTF-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC001126960058 781483832 /nfs/dbraw/zinc/48/38/32/781483832.db2.gz MQWGXHHVWHMTNP-HOTGVXAUSA-N 0 3 303.381 2.292 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCNC[C@H](F)CC)cc1 ZINC001127014523 781621800 /nfs/dbraw/zinc/62/18/00/781621800.db2.gz KNVSYPSEXBQRED-OAHLLOKOSA-N 0 3 306.381 2.156 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001091082148 790902282 /nfs/dbraw/zinc/90/22/82/790902282.db2.gz AJXDGXHZKXUHLZ-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1OC ZINC001212146081 781745044 /nfs/dbraw/zinc/74/50/44/781745044.db2.gz IYXUUHNMNRYJNM-ISIQUDIPSA-N 0 3 306.450 2.352 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001105946683 781886015 /nfs/dbraw/zinc/88/60/15/781886015.db2.gz 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C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966233378 783606025 /nfs/dbraw/zinc/60/60/25/783606025.db2.gz LVOXTHXUOCQWGZ-DYVFJYSZSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1CC ZINC001085255039 783608362 /nfs/dbraw/zinc/60/83/62/783608362.db2.gz KSWBOLOOFPBOEE-ZIAGYGMSSA-N 0 3 310.829 2.355 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1cncnc1 ZINC001085307995 783633523 /nfs/dbraw/zinc/63/35/23/783633523.db2.gz XZVDTUDHRRXCQX-BPLDGKMQSA-N 0 3 322.840 2.350 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC000966563471 783696427 /nfs/dbraw/zinc/69/64/27/783696427.db2.gz LPEHFTATQSKTIZ-CZUORRHYSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC000966630494 783715337 /nfs/dbraw/zinc/71/53/37/783715337.db2.gz GYXBALBDWLGWLW-GUYCJALGSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccsc2COC)C1 ZINC000966915063 783817890 /nfs/dbraw/zinc/81/78/90/783817890.db2.gz 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C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2nccnc21 ZINC001085892509 784185068 /nfs/dbraw/zinc/18/50/68/784185068.db2.gz AYSXRLZWKJDUQL-CQSZACIVSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC000968331173 784294179 /nfs/dbraw/zinc/29/41/79/784294179.db2.gz MCFMRBBBRWEJNP-UONOGXRCSA-N 0 3 319.453 2.049 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001086006646 784310531 /nfs/dbraw/zinc/31/05/31/784310531.db2.gz KRJPMIKMAKNWDA-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC000968369240 784332229 /nfs/dbraw/zinc/33/22/29/784332229.db2.gz HDPUTBWSBHPRHX-DGCLKSJQSA-N 0 3 324.856 2.398 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OCC#C)cc2)C1 ZINC000968391731 784350021 /nfs/dbraw/zinc/35/00/21/784350021.db2.gz UQACJUPVGOXERL-VQIMIIECSA-N 0 3 324.424 2.162 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)CC1 ZINC001066377201 784381889 /nfs/dbraw/zinc/38/18/89/784381889.db2.gz 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N#Cc1ccccc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005957 785000577 /nfs/dbraw/zinc/00/05/77/785000577.db2.gz DNFLDFYZRJYYMR-HOCLYGCPSA-N 0 3 314.389 2.126 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001007923546 785049379 /nfs/dbraw/zinc/04/93/79/785049379.db2.gz ZSAICARZIUHFHG-IRXDYDNUSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001007925294 785049478 /nfs/dbraw/zinc/04/94/78/785049478.db2.gz LIPNRBQXBSDWLD-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001007949669 785056422 /nfs/dbraw/zinc/05/64/22/785056422.db2.gz DXFITHFRIXABJT-LBPRGKRZSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(CC)nnc2C)C1 ZINC001008061803 785095419 /nfs/dbraw/zinc/09/54/19/785095419.db2.gz JHLOCXHRWAOFMG-HNNXBMFYSA-N 0 3 302.422 2.118 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001008129829 785115261 /nfs/dbraw/zinc/11/52/61/785115261.db2.gz 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CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001109260811 785786669 /nfs/dbraw/zinc/78/66/69/785786669.db2.gz NXCRCGFAIAUETQ-NCOADZHNSA-N 0 3 318.461 2.327 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC)cc1 ZINC001109273316 785789270 /nfs/dbraw/zinc/78/92/70/785789270.db2.gz BGJBTUFMVNIYIQ-NJAFHUGGSA-N 0 3 312.413 2.444 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001109604713 785956497 /nfs/dbraw/zinc/95/64/97/785956497.db2.gz WGBLSHVZBLDWJF-NCOADZHNSA-N 0 3 306.450 2.327 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)C2 ZINC001109670173 785982771 /nfs/dbraw/zinc/98/27/71/785982771.db2.gz OWIAACHONMOXAT-RNJOBUHISA-N 0 3 302.340 2.320 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1ccco1)C2 ZINC001109831813 786080891 /nfs/dbraw/zinc/08/08/91/786080891.db2.gz LTWDQOHNILPJCD-FSDCSDTHSA-N 0 3 300.402 2.203 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccsc1)C2 ZINC001109981384 786118566 /nfs/dbraw/zinc/11/85/66/786118566.db2.gz QUVPZNJYSJZFKS-SNPRPXQTSA-N 0 3 306.431 2.425 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)n1cnc2ccccc21 ZINC001170088958 786319208 /nfs/dbraw/zinc/31/92/08/786319208.db2.gz HNNOSLIJGIZFTO-ZDUSSCGKSA-N 0 3 320.824 2.446 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC001113063626 786386687 /nfs/dbraw/zinc/38/66/87/786386687.db2.gz KPNGRLZURPXZSH-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113410106 786580435 /nfs/dbraw/zinc/58/04/35/786580435.db2.gz NMQRIROMLPPKLQ-KRWDZBQOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001014665976 786689630 /nfs/dbraw/zinc/68/96/30/786689630.db2.gz SEOYMBIGMNFAJN-OAHLLOKOSA-N 0 3 310.401 2.457 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001014779557 786752069 /nfs/dbraw/zinc/75/20/69/786752069.db2.gz MBLNLCKZIKIQSX-WBVHZDCISA-N 0 3 313.445 2.377 20 30 DEEDHN C=CCCOCC(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113709453 786771002 /nfs/dbraw/zinc/77/10/02/786771002.db2.gz RARNIJDXMDMWOM-ZACQAIPSSA-N 0 3 306.450 2.160 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(CCCF)C1 ZINC001014978586 786837604 /nfs/dbraw/zinc/83/76/04/786837604.db2.gz GFGRLHPWWQSAPI-CQSZACIVSA-N 0 3 306.381 2.415 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015139977 786910349 /nfs/dbraw/zinc/91/03/49/786910349.db2.gz NTHRFLACHCCLHK-QGZVFWFLSA-N 0 3 307.397 2.305 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001113867789 786972584 /nfs/dbraw/zinc/97/25/84/786972584.db2.gz PQGWLNUNDWEESN-UTXMOHQDSA-N 0 3 300.402 2.407 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001113867789 786972596 /nfs/dbraw/zinc/97/25/96/786972596.db2.gz PQGWLNUNDWEESN-UTXMOHQDSA-N 0 3 300.402 2.407 20 30 DEEDHN C[C@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114257636 787188382 /nfs/dbraw/zinc/18/83/82/787188382.db2.gz CVMPPWHCUBYGAM-JOCQJMSRSA-N 0 3 312.388 2.347 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001170454226 787226982 /nfs/dbraw/zinc/22/69/82/787226982.db2.gz WOYARTSZTASAEA-CXAGYDPISA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@](C)(CC)CCC)C[C@@H]1n1ccnn1 ZINC001130062841 787280783 /nfs/dbraw/zinc/28/07/83/787280783.db2.gz ZSTZBNNFAQOOHU-HLLBOEOZSA-N 0 3 319.453 2.022 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C23CCC(CC2)C3)ccc1F ZINC001130292094 787334054 /nfs/dbraw/zinc/33/40/54/787334054.db2.gz ZICPSIAQNDYTGH-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)SC)C1 ZINC001130373170 787363344 /nfs/dbraw/zinc/36/33/44/787363344.db2.gz HFCIUJBRDZYWRM-TZMCWYRMSA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)CSC)C1 ZINC001130368919 787369866 /nfs/dbraw/zinc/36/98/66/787369866.db2.gz UUSABWCDBYBYEF-QWHCGFSZSA-N 0 3 322.478 2.000 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC001130521830 787420090 /nfs/dbraw/zinc/42/00/90/787420090.db2.gz SPVKBVKEJGGUKT-DFBGVHRSSA-N 0 3 303.431 2.262 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)CC1 ZINC001095971754 787430605 /nfs/dbraw/zinc/43/06/05/787430605.db2.gz ATGYHDNFOJKCFL-SIXLDLHFSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CCCC)C[C@H]1c1cn(C)cn1 ZINC001130578657 787439481 /nfs/dbraw/zinc/43/94/81/787439481.db2.gz XSBGVZWDXSOJOY-YQQAZPJKSA-N 0 3 318.465 2.316 20 30 DEEDHN CCOC(=O)C1=C(Nc2ccc(OCCC#N)cc2)CCNC1 ZINC001170520844 787496575 /nfs/dbraw/zinc/49/65/75/787496575.db2.gz LLNVLCMBWMZSCU-UHFFFAOYSA-N 0 3 315.373 2.201 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC2(CC(=Nn3cnnc3)C2)CC1 ZINC000901117427 787518179 /nfs/dbraw/zinc/51/81/79/787518179.db2.gz CQIMNJLYYNHVEA-UHFFFAOYSA-N 0 3 305.382 2.293 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(CC)oc1C)C2 ZINC001096149070 787530742 /nfs/dbraw/zinc/53/07/42/787530742.db2.gz XTHKNHBSLWTFNY-RDBSUJKOSA-N 0 3 303.406 2.457 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccn3ccccc23)cc1 ZINC001131175998 787565229 /nfs/dbraw/zinc/56/52/29/787565229.db2.gz HYZWAUSHKOWCCR-UHFFFAOYSA-N 0 3 318.380 2.331 20 30 DEEDHN C#CCCCCC(=O)N1CCC([C@@H]2OCC[C@H]2NCCF)CC1 ZINC001131475995 787628038 /nfs/dbraw/zinc/62/80/38/787628038.db2.gz MOKNEEGKBHSPHN-AEFFLSMTSA-N 0 3 324.440 2.135 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCC(F)F)C[C@H](C)O2 ZINC001131669251 787678145 /nfs/dbraw/zinc/67/81/45/787678145.db2.gz KOCKMAHXYZXIEA-XJKSGUPXSA-N 0 3 316.392 2.300 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@@H](C)O2 ZINC001131657575 787679099 /nfs/dbraw/zinc/67/90/99/787679099.db2.gz KMBSTXFHYWHXDG-VQIMIIECSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccc3ccccc31)C2 ZINC001096571926 787736477 /nfs/dbraw/zinc/73/64/77/787736477.db2.gz PJONIFMXXASQQL-AOIWGVFYSA-N 0 3 321.424 2.386 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cccc1F)C2 ZINC001096666639 787788293 /nfs/dbraw/zinc/78/82/93/787788293.db2.gz OPWWILDCIKWEPP-KBMXLJTQSA-N 0 3 300.377 2.493 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1OCC)C2 ZINC001096687769 787793910 /nfs/dbraw/zinc/79/39/10/787793910.db2.gz HXWSGKAMYBOABK-ILXRZTDVSA-N 0 3 315.417 2.392 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccc(C)c3O1)C2 ZINC001096692595 787795937 /nfs/dbraw/zinc/79/59/37/787795937.db2.gz LDXQIFUEBUXUCB-OWSLCNJRSA-N 0 3 324.424 2.043 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC=C)C1 ZINC001131976770 787848496 /nfs/dbraw/zinc/84/84/96/787848496.db2.gz OFILXROKVFVVKZ-IAGOWNOFSA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC(C)C)C1 ZINC001132003238 787878200 /nfs/dbraw/zinc/87/82/00/787878200.db2.gz RPAWNMYTBVJGQM-SJORKVTESA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cc(OC)no2)CC[C@H]1C ZINC001132063917 787921628 /nfs/dbraw/zinc/92/16/28/787921628.db2.gz BEBUFNHKAPSIQH-ZIAGYGMSSA-N 0 3 321.421 2.161 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132095566 787925036 /nfs/dbraw/zinc/92/50/36/787925036.db2.gz ZSCBJOQACLHFNP-ZIAGYGMSSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2ncc(C)o2)CC[C@H]1C ZINC001132164722 787954403 /nfs/dbraw/zinc/95/44/03/787954403.db2.gz JAYOFNFDFQZMNH-UKRRQHHQSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2c(C)nn(C)c2C)CC[C@H]1C ZINC001132203528 787972792 /nfs/dbraw/zinc/97/27/92/787972792.db2.gz QLUYGYIAJWVATF-CZUORRHYSA-N 0 3 318.465 2.125 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132228649 787982168 /nfs/dbraw/zinc/98/21/68/787982168.db2.gz USFFVXIEQCOMNL-IRXDYDNUSA-N 0 3 316.449 2.046 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCc2cnn(C)c2)C1 ZINC001132227837 787982490 /nfs/dbraw/zinc/98/24/90/787982490.db2.gz IZFSWRSJHROUPX-HOCLYGCPSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CCCC[N@H+]1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001132236154 787988419 /nfs/dbraw/zinc/98/84/19/787988419.db2.gz ZBCUKPQMWIABAS-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001132236154 787988426 /nfs/dbraw/zinc/98/84/26/787988426.db2.gz ZBCUKPQMWIABAS-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cncc1F)C2 ZINC001097151501 787993215 /nfs/dbraw/zinc/99/32/15/787993215.db2.gz UCOKUIIQNNGVEQ-HONMWMINSA-N 0 3 307.344 2.271 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1[C@@H](C)CC)C2 ZINC001097159943 787999278 /nfs/dbraw/zinc/99/92/78/787999278.db2.gz CSESJZRVZDWYSH-JJXSEGSLSA-N 0 3 314.433 2.213 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(C)C(C)C)CC[C@H]1C ZINC001132521255 788116658 /nfs/dbraw/zinc/11/66/58/788116658.db2.gz AKNXIQAQYZRDPN-KGLIPLIRSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCNC(=O)CC(C)C)CC[C@H]1C ZINC001132543059 788119957 /nfs/dbraw/zinc/11/99/57/788119957.db2.gz UTBVAGHDXRNOCY-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C2 ZINC001097517507 788124556 /nfs/dbraw/zinc/12/45/56/788124556.db2.gz VZCRCYFANISJQD-ILOCAZANSA-N 0 3 318.461 2.347 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2 ZINC001097520270 788125292 /nfs/dbraw/zinc/12/52/92/788125292.db2.gz PMSSVKIKWJGHEW-QFXBJFAPSA-N 0 3 304.434 2.243 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccccc1N(C)C ZINC001132569834 788134038 /nfs/dbraw/zinc/13/40/38/788134038.db2.gz ZIBLSHNQUFCEPA-GJZGRUSLSA-N 0 3 303.450 2.417 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nn(C)c1Cl)C2 ZINC001097609596 788144475 /nfs/dbraw/zinc/14/44/75/788144475.db2.gz BKJQUKGBAQNHDP-UPJWGTAASA-N 0 3 322.840 2.293 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132667475 788159800 /nfs/dbraw/zinc/15/98/00/788159800.db2.gz MGURJTIIPALXJC-OAHLLOKOSA-N 0 3 317.433 2.453 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2cnc(C)o2)C1 ZINC001132785971 788192174 /nfs/dbraw/zinc/19/21/74/788192174.db2.gz MMGGGCRSVNXDQG-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC[C@@H](F)C2)cc1F ZINC001132955363 788243080 /nfs/dbraw/zinc/24/30/80/788243080.db2.gz VUORCCQIDFBYOZ-TZMCWYRMSA-N 0 3 307.344 2.041 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001097873752 788257421 /nfs/dbraw/zinc/25/74/21/788257421.db2.gz TZOXYODQUAGGFT-WQVCFCJDSA-N 0 3 310.401 2.474 20 30 DEEDHN C=CCCCC(=O)NCCNC[C@H](O)c1cc(F)ccc1F ZINC001133158025 788299188 /nfs/dbraw/zinc/29/91/88/788299188.db2.gz XJNDBFFLDZXHOS-HNNXBMFYSA-N 0 3 312.360 2.060 20 30 DEEDHN Cc1ncc(CNCCCC[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001170673330 788325399 /nfs/dbraw/zinc/32/53/99/788325399.db2.gz AUWUYLBOAOKOFZ-CYBMUJFWSA-N 0 3 303.406 2.161 20 30 DEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccnc1CC#N ZINC001170678632 788362689 /nfs/dbraw/zinc/36/26/89/788362689.db2.gz CFQIBGVRLGKXJA-LBPRGKRZSA-N 0 3 304.357 2.415 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)C2CCC(F)CC2)c1 ZINC001133383103 788393917 /nfs/dbraw/zinc/39/39/17/788393917.db2.gz HKRBPAYJSOCXMO-UHFFFAOYSA-N 0 3 303.381 2.292 20 30 DEEDHN COc1ccc(CNCCNC(=O)C2(C(C)C)CC2)cc1C#N ZINC001133556461 788485816 /nfs/dbraw/zinc/48/58/16/788485816.db2.gz ASUWIWFJFVTTSW-UHFFFAOYSA-N 0 3 315.417 2.209 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNC[C@H](O)c2cc(F)ccc2F)C1 ZINC001133571071 788494281 /nfs/dbraw/zinc/49/42/81/788494281.db2.gz FMKMGSVVDUDSGB-HNNXBMFYSA-N 0 3 324.371 2.060 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc2n(n1)CCC2 ZINC001133884491 788649986 /nfs/dbraw/zinc/64/99/86/788649986.db2.gz QBEHEDCWEQOKIJ-KBPBESRZSA-N 0 3 304.438 2.168 20 30 DEEDHN CC(F)(F)C1(C(=O)NCCNCc2ccc(C#N)cc2)CC1 ZINC001133952466 788685911 /nfs/dbraw/zinc/68/59/11/788685911.db2.gz CXZKUZXDFWSDEF-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)C(C)(F)F ZINC001133968111 788696218 /nfs/dbraw/zinc/69/62/18/788696218.db2.gz NYVCGQOCWOMIBL-SNVBAGLBSA-N 0 3 313.323 2.194 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](O)C1 ZINC001090516821 788734004 /nfs/dbraw/zinc/73/40/04/788734004.db2.gz YMVXJBGBVFVSNI-IAGOWNOFSA-N 0 3 319.449 2.119 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1nccn1CC ZINC001134114635 788764771 /nfs/dbraw/zinc/76/47/71/788764771.db2.gz MLZXGSBBMBXOPG-JKSUJKDBSA-N 0 3 318.465 2.470 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(CC)n1 ZINC001134206562 788800991 /nfs/dbraw/zinc/80/09/91/788800991.db2.gz WNBVARXUIHZWSI-GJZGRUSLSA-N 0 3 304.438 2.079 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)CC(C)(C)O ZINC001134234982 788819672 /nfs/dbraw/zinc/81/96/72/788819672.db2.gz LNBDSCBUBQJPEM-UONOGXRCSA-N 0 3 317.433 2.092 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(C3CC3)no2)s1 ZINC001134538380 788974185 /nfs/dbraw/zinc/97/41/85/788974185.db2.gz YMQJSZOOKIBGHU-UHFFFAOYSA-N 0 3 316.386 2.005 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CCNC(=O)c1nnc2ccccc2c1[O-] ZINC001134591237 788992692 /nfs/dbraw/zinc/99/26/92/788992692.db2.gz HOUJSUFNMMJLNT-GFCCVEGCSA-N 0 3 314.389 2.010 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cnns1 ZINC001135193126 789229565 /nfs/dbraw/zinc/22/95/65/789229565.db2.gz FJZSIMLTPFUNKV-KBPBESRZSA-N 0 3 322.478 2.495 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)NCc2nccn2C)cc1 ZINC001135185110 789236764 /nfs/dbraw/zinc/23/67/64/789236764.db2.gz UJFHRDKXJZFVBB-HUUCEWRRSA-N 0 3 324.428 2.088 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cncc(OC)n1 ZINC001135236522 789254295 /nfs/dbraw/zinc/25/42/95/789254295.db2.gz UDESUXBMBFAEDF-CHWSQXEVSA-N 0 3 320.437 2.070 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccoc2C)C1 ZINC001070394731 789307013 /nfs/dbraw/zinc/30/70/13/789307013.db2.gz QCGPIPMWVOPUPY-CYBMUJFWSA-N 0 3 314.389 2.216 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1ccnnc1 ZINC001135539866 789388049 /nfs/dbraw/zinc/38/80/49/789388049.db2.gz GOFOPZYGROWMAF-UONOGXRCSA-N 0 3 323.400 2.035 20 30 DEEDHN C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(C)(C)C)n1 ZINC001070606348 789399404 /nfs/dbraw/zinc/39/94/04/789399404.db2.gz ZTZDEVDWBFXNLX-UONOGXRCSA-N 0 3 320.437 2.143 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C ZINC001135562411 789399830 /nfs/dbraw/zinc/39/98/30/789399830.db2.gz ZAFHVISHSNSQGD-KBPBESRZSA-N 0 3 306.454 2.395 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@@H](C)O2 ZINC001071199357 789586821 /nfs/dbraw/zinc/58/68/21/789586821.db2.gz KVZRVTHTJMFVIN-APWZRJJASA-N 0 3 318.461 2.304 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1nccs1)C[C@@H](C)O2 ZINC001071222563 789600852 /nfs/dbraw/zinc/60/08/52/789600852.db2.gz DEALYDXRGBGWSR-CZUORRHYSA-N 0 3 321.446 2.025 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H]2C[C@@H]2C(C)C)cc1C#N ZINC001136061438 789613805 /nfs/dbraw/zinc/61/38/05/789613805.db2.gz MNYXNASSACJGLO-CVEARBPZSA-N 0 3 315.417 2.065 20 30 DEEDHN CC[C@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001136086750 789619915 /nfs/dbraw/zinc/61/99/15/789619915.db2.gz CYNBIVNZJDWIKE-RHSMWYFYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347126 789671991 /nfs/dbraw/zinc/67/19/91/789671991.db2.gz HFIULOLXKIIISA-AAEUAGOBSA-N 0 3 308.451 2.395 20 30 DEEDHN CC(C)=CCN1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[C@@H]1C ZINC001071438119 789724189 /nfs/dbraw/zinc/72/41/89/789724189.db2.gz LZLYRFLBKPSBGY-DZGCQCFKSA-N 0 3 300.406 2.435 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3cc(C)ccn32)CC[C@H]1C ZINC001071533325 789764150 /nfs/dbraw/zinc/76/41/50/789764150.db2.gz FXHMXYWJJHBVEF-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2CC(C)C)CC[C@@H]1C ZINC001071544260 789771254 /nfs/dbraw/zinc/77/12/54/789771254.db2.gz WHANDDIQSAEBJJ-HOTGVXAUSA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc(COC)c2)CC[C@H]1C ZINC001071583575 789794859 /nfs/dbraw/zinc/79/48/59/789794859.db2.gz JAWJUSBRDDCEFH-PBHICJAKSA-N 0 3 317.433 2.387 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncn3ccc(C)cc23)CC[C@@H]1C ZINC001071624986 789823389 /nfs/dbraw/zinc/82/33/89/789823389.db2.gz LQIYCDPMAZOJQK-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)c2ccc3cncn3c2C)CC[C@@H]1C ZINC001071629276 789827455 /nfs/dbraw/zinc/82/74/55/789827455.db2.gz XLSWBWFXIQBIQA-GOEBONIOSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(N(C)C)nc2)CC[C@@H]1C ZINC001071634492 789830020 /nfs/dbraw/zinc/83/00/20/789830020.db2.gz DGNSKNDFINVSAY-GOEBONIOSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2sc(C)nc2C)CC[C@@H]1C ZINC001071698497 789872532 /nfs/dbraw/zinc/87/25/32/789872532.db2.gz RDVVOMPVZBSJCC-SWLSCSKDSA-N 0 3 319.474 2.295 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)CC[C@H]1C ZINC001071698882 789873243 /nfs/dbraw/zinc/87/32/43/789873243.db2.gz XXNSZWTVDFSGIB-ZBFHGGJFSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@H]1C ZINC001071836064 789936839 /nfs/dbraw/zinc/93/68/39/789936839.db2.gz SITLMYKITMJGRA-HIFRSBDPSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccncc2Cl)CC[C@@H]1C ZINC001071844933 789940269 /nfs/dbraw/zinc/94/02/69/789940269.db2.gz VGTYDWXERZHIJZ-QWHCGFSZSA-N 0 3 305.809 2.341 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)CC[C@@H]1C ZINC001071850799 789942780 /nfs/dbraw/zinc/94/27/80/789942780.db2.gz HSPMFNHZGDEZBK-KBPBESRZSA-N 0 3 303.406 2.254 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(CCC)c2C)CC[C@@H]1C ZINC001071931369 789976920 /nfs/dbraw/zinc/97/69/20/789976920.db2.gz UKLSDKRRJCHEFG-HOCLYGCPSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@@H]1C ZINC001071970177 789993352 /nfs/dbraw/zinc/99/33/52/789993352.db2.gz DDEWFZXAOSODDI-HOCLYGCPSA-N 0 3 313.445 2.500 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(OC)c2)CC[C@@H]1C ZINC001072019221 790015168 /nfs/dbraw/zinc/01/51/68/790015168.db2.gz FKMNZSQESGVPAG-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(N(C)C)c2)CC[C@H]1C ZINC001072029934 790020397 /nfs/dbraw/zinc/02/03/97/790020397.db2.gz KGPJMCOGIMMZPW-WBVHZDCISA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccnc2OCC)CC[C@H]1C ZINC001072038001 790026360 /nfs/dbraw/zinc/02/63/60/790026360.db2.gz YMTXFWZKOIRMIP-HUUCEWRRSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cn3ccccc3n2)CC[C@H]1C ZINC001072050459 790032539 /nfs/dbraw/zinc/03/25/39/790032539.db2.gz XWHRZPUVOZESOD-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)CC[C@H]1C ZINC001072068949 790039707 /nfs/dbraw/zinc/03/97/07/790039707.db2.gz DMLPKWPJYXWWRH-CABCVRRESA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)CC[C@H]1C ZINC001072071031 790040506 /nfs/dbraw/zinc/04/05/06/790040506.db2.gz VQVPSJDUUITYTM-DOMZBBRYSA-N 0 3 304.438 2.114 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncccc2OCC)CC[C@H]1C ZINC001072128619 790063937 /nfs/dbraw/zinc/06/39/37/790063937.db2.gz CRKYMMWXCNQAFS-HUUCEWRRSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1CCC[C@H](N(Cc2ccccn2)C(=O)C2CC2)CC1 ZINC001072130138 790065093 /nfs/dbraw/zinc/06/50/93/790065093.db2.gz SFAKDPUYVWLPAN-SFHVURJKSA-N 0 3 311.429 2.308 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3coc(C(C)(C)C)n3)C2)C1 ZINC001072732027 790232489 /nfs/dbraw/zinc/23/24/89/790232489.db2.gz VAYXBHPZAVEMGN-UHFFFAOYSA-N 0 3 303.406 2.306 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1conc1CC ZINC001146684197 791340121 /nfs/dbraw/zinc/34/01/21/791340121.db2.gz ZSSUKQWWEMFMBN-KGLIPLIRSA-N 0 3 323.437 2.203 20 30 DEEDHN C=CCOCCN1CCC2(CN(C(=O)c3ccc(Cl)o3)C2)C1 ZINC001146998810 791417825 /nfs/dbraw/zinc/41/78/25/791417825.db2.gz AGURIZGYIFLVIK-UHFFFAOYSA-N 0 3 324.808 2.284 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCN(CCc1ccns1)C2 ZINC001147428461 791527966 /nfs/dbraw/zinc/52/79/66/791527966.db2.gz SWNPTLDNSDEENB-UHFFFAOYSA-N 0 3 317.458 2.023 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(CC)nc1C)C2 ZINC001098160429 791587641 /nfs/dbraw/zinc/58/76/41/791587641.db2.gz GHIVEQVHHVYAAR-MCIONIFRSA-N 0 3 303.406 2.457 20 30 DEEDHN C=C(C)CCC(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001147646745 791588951 /nfs/dbraw/zinc/58/89/51/791588951.db2.gz ADPMCNWOPJFUQR-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)CC)C2)nn1 ZINC001098623014 791665184 /nfs/dbraw/zinc/66/51/84/791665184.db2.gz VNFVPDATJLLDHL-GDBMZVCRSA-N 0 3 319.453 2.153 20 30 DEEDHN N#Cc1cccc(CN2CCC3(CN(C(=O)CCCF)C3)C2)c1 ZINC001148071408 791674819 /nfs/dbraw/zinc/67/48/19/791674819.db2.gz NGRJFTFBXXFOEG-UHFFFAOYSA-N 0 3 315.392 2.342 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)NCCCC ZINC001148727720 791793851 /nfs/dbraw/zinc/79/38/51/791793851.db2.gz IAJPRCWIPCIWQY-UHFFFAOYSA-N 0 3 313.486 2.359 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001148728092 791794678 /nfs/dbraw/zinc/79/46/78/791794678.db2.gz VIXXAKCUHYUDMY-UHFFFAOYSA-N 0 3 311.470 2.064 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCc2ccccc2)s1 ZINC001148826649 791804177 /nfs/dbraw/zinc/80/41/77/791804177.db2.gz QRWLOBKGGYQBJA-UHFFFAOYSA-N 0 3 313.426 2.458 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3(CCOC)CCCC3)C2)C1 ZINC001148887607 791818463 /nfs/dbraw/zinc/81/84/63/791818463.db2.gz NDPIQQFWKHSFJN-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cccnc3)C2)CC1 ZINC001086898394 791841254 /nfs/dbraw/zinc/84/12/54/791841254.db2.gz HQAHKXVHJFXVTL-MRXNPFEDSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cscn3)C2)CC1 ZINC001086906634 791845131 /nfs/dbraw/zinc/84/51/31/791845131.db2.gz BVYWXDSIFOIWHF-CYBMUJFWSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cncs3)C2)CC1 ZINC001086908312 791846033 /nfs/dbraw/zinc/84/60/33/791846033.db2.gz WSVHBXXQOMNUPE-ZDUSSCGKSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cnccc3C)C2)CC1 ZINC001086913347 791848432 /nfs/dbraw/zinc/84/84/32/791848432.db2.gz MXQXGTALCABDHC-INIZCTEOSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cnco3)C2)CC1 ZINC001086934874 791854357 /nfs/dbraw/zinc/85/43/57/791854357.db2.gz CUTPSKOWPQEVOW-AWEZNQCLSA-N 0 3 301.390 2.015 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)n3cccc3)C2)CC1 ZINC001086916177 791854840 /nfs/dbraw/zinc/85/48/40/791854840.db2.gz CJUJHTYLLMGARU-IRXDYDNUSA-N 0 3 313.445 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC3(F)F)C2)CC1 ZINC001086928317 791859576 /nfs/dbraw/zinc/85/95/76/791859576.db2.gz BDSXYMUQXSBBNY-UONOGXRCSA-N 0 3 310.388 2.368 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 ZINC001086934458 791861011 /nfs/dbraw/zinc/86/10/11/791861011.db2.gz QASBAVXWNPTMPV-BBWFWOEESA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)c(F)c3)C[C@]2(C)C1 ZINC001091832894 791887479 /nfs/dbraw/zinc/88/74/79/791887479.db2.gz HYCREDFMTPTIIR-QAPCUYQASA-N 0 3 300.377 2.161 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c[nH]c4ccccc43)C[C@]2(C)C1 ZINC001091828244 791892522 /nfs/dbraw/zinc/89/25/22/791892522.db2.gz LSKCYSLVFPKLML-KUHUBIRLSA-N 0 3 307.397 2.195 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(F)ccc(F)c3F)C[C@]2(C)C1 ZINC001091963973 791906937 /nfs/dbraw/zinc/90/69/37/791906937.db2.gz CXOZPTOTVWACEI-DIFFPNOSSA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092213650 791946980 /nfs/dbraw/zinc/94/69/80/791946980.db2.gz PRKXIISVZGAJSB-RMJJICAUSA-N 0 3 308.425 2.204 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001098850225 791963836 /nfs/dbraw/zinc/96/38/36/791963836.db2.gz WYNXALSJUMOAAR-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnn2C(F)F)C1 ZINC001098855916 791965437 /nfs/dbraw/zinc/96/54/37/791965437.db2.gz RVBIGSJKFIMVOU-NHYWBVRUSA-N 0 3 310.348 2.049 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2onc(C)c2C)C1 ZINC001098892288 791975456 /nfs/dbraw/zinc/97/54/56/791975456.db2.gz AKATUSVCVNNQJS-YOEHRIQHSA-N 0 3 303.406 2.452 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2occ3c2CCC3)C1 ZINC001098960785 792004221 /nfs/dbraw/zinc/00/42/21/792004221.db2.gz BPVKTUCTCJNVTA-KXBFYZLASA-N 0 3 312.413 2.376 20 30 DEEDHN CC(C)OCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098981927 792014429 /nfs/dbraw/zinc/01/44/29/792014429.db2.gz HUQCSYNJRYLPDK-GJZGRUSLSA-N 0 3 309.454 2.178 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(OC)CC2)C1 ZINC001099003448 792030771 /nfs/dbraw/zinc/03/07/71/792030771.db2.gz LWEKGDQWGJACPV-OLECLDRESA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccn3ccnc23)C1 ZINC001099077719 792080453 /nfs/dbraw/zinc/08/04/53/792080453.db2.gz WVGHHNHMBWHSRY-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OCC)C1CC1 ZINC001099079771 792080851 /nfs/dbraw/zinc/08/08/51/792080851.db2.gz IYMIIQYJNOPMHH-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCC1(C(=O)NC[C@H]2CCC(C)(C)CN2CCOC)CCC1 ZINC001099106900 792096956 /nfs/dbraw/zinc/09/69/56/792096956.db2.gz REQGXEPNLCHRAH-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc3ccccc3n2)C1 ZINC001099120727 792104507 /nfs/dbraw/zinc/10/45/07/792104507.db2.gz HPIHRCUAHOINPW-LPHOPBHVSA-N 0 3 324.428 2.193 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2nccc3ccsc32)[C@H](C)C1 ZINC001092696545 792114510 /nfs/dbraw/zinc/11/45/10/792114510.db2.gz XYQBXRSRWQYADG-TZMCWYRMSA-N 0 3 313.426 2.227 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001099154720 792118372 /nfs/dbraw/zinc/11/83/72/792118372.db2.gz LDERFDQIWPIMAQ-LPHOPBHVSA-N 0 3 313.445 2.250 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1C(F)(F)F ZINC001099216398 792141240 /nfs/dbraw/zinc/14/12/40/792141240.db2.gz GFCAQBHSAHPHNJ-GMTAPVOTSA-N 0 3 310.385 2.293 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCOCC1 ZINC001099276921 792158408 /nfs/dbraw/zinc/15/84/08/792158408.db2.gz YTJTZQFCSLFSOO-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C(F)(F)F ZINC001099323683 792171529 /nfs/dbraw/zinc/17/15/29/792171529.db2.gz ALSIKWZCADHQMC-CHWSQXEVSA-N 0 3 316.323 2.377 20 30 DEEDHN C=CCN1C[C@H](NC(=O)/C=C\C2CC2)CC2(CCOCC2)C1 ZINC001099574863 792248217 /nfs/dbraw/zinc/24/82/17/792248217.db2.gz NWBQVCJMPXOZOF-OGZRUICASA-N 0 3 304.434 2.126 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC001093153068 792257340 /nfs/dbraw/zinc/25/73/40/792257340.db2.gz ZLPWPIPDVNPFMW-VXGBXAGGSA-N 0 3 308.784 2.410 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(C)nc3ccccc32)[C@H](C)C1 ZINC001093177136 792263932 /nfs/dbraw/zinc/26/39/32/792263932.db2.gz FGZOPKNWNJDJPV-GDBMZVCRSA-N 0 3 321.424 2.474 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC001093353298 792336255 /nfs/dbraw/zinc/33/62/55/792336255.db2.gz SSWNIXOESGGAKO-GOSISDBHSA-N 0 3 323.440 2.422 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2C)C[C@@H]1O ZINC001099943925 792413325 /nfs/dbraw/zinc/41/33/25/792413325.db2.gz HHHROEBXYKDWQN-SJORKVTESA-N 0 3 316.445 2.259 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccccc2)[C@H](O)C1 ZINC001099979705 792427109 /nfs/dbraw/zinc/42/71/09/792427109.db2.gz ZKIDAJSGWGRLHO-ZWKOTPCHSA-N 0 3 316.445 2.137 20 30 DEEDHN CCN(CC)CC(=O)NCC1(Nc2cccc(F)c2C#N)CC1 ZINC001110148495 792564758 /nfs/dbraw/zinc/56/47/58/792564758.db2.gz DUQAAZDTZZCKKP-UHFFFAOYSA-N 0 3 318.396 2.100 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(N[C@@H](C)c2cnccn2)C1 ZINC001100373168 792618765 /nfs/dbraw/zinc/61/87/65/792618765.db2.gz ZIGVJNQINGCDKK-NFOMZHRRSA-N 0 3 302.422 2.378 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](CNCc2ccccc2C#N)[C@H](C)C1 ZINC001093972367 792662366 /nfs/dbraw/zinc/66/23/66/792662366.db2.gz PGEWJVGRTGXOTN-JFTQMJAMSA-N 0 3 311.429 2.398 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001100568944 792725586 /nfs/dbraw/zinc/72/55/86/792725586.db2.gz DZIQQDIEWBCGRW-PNESKVBLSA-N 0 3 319.453 2.125 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3cnc(C)nc3)C2)C1 ZINC001100661309 792774359 /nfs/dbraw/zinc/77/43/59/792774359.db2.gz MSNLLUHOCYUUJJ-UHFFFAOYSA-N 0 3 314.433 2.126 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001100765093 792831328 /nfs/dbraw/zinc/83/13/28/792831328.db2.gz SHRKDTDUTMGFCI-FNBIGBAISA-N 0 3 324.856 2.367 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)CCCOC)C1 ZINC001100838603 792877077 /nfs/dbraw/zinc/87/70/77/792877077.db2.gz KYNUNRLHXVPYRB-LMWSTFAQSA-N 0 3 302.846 2.286 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2ccnc(OC)c2)C[C@H]1C ZINC001101805637 793386522 /nfs/dbraw/zinc/38/65/22/793386522.db2.gz XNELXOUHHPCDTB-GDBMZVCRSA-N 0 3 317.433 2.241 20 30 DEEDHN CCOC(=O)[C@H]1CN([C@H](C)Cc2ccc(C#N)cc2)CCS1 ZINC001172313482 793396985 /nfs/dbraw/zinc/39/69/85/793396985.db2.gz XPHOQOLWCATKJW-CZUORRHYSA-N 0 3 318.442 2.470 20 30 DEEDHN CCC(CC)[C@H](C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102108366 793506861 /nfs/dbraw/zinc/50/68/61/793506861.db2.gz JFQQYDYHVHJUOF-SOLBZPMBSA-N 0 3 322.493 2.393 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCC[C@H](OC)C1 ZINC001172944867 793541498 /nfs/dbraw/zinc/54/14/98/793541498.db2.gz YKOSUDRTIODPOQ-YQQAZPJKSA-N 0 3 319.449 2.480 20 30 DEEDHN C[C@H](N)c1ccn([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172975849 793548850 /nfs/dbraw/zinc/54/88/50/793548850.db2.gz KEGRAFPOQJMRNB-XQQFMLRXSA-N 0 3 319.409 2.367 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC[C@@](C)(O)C2)C[C@H]1C#N ZINC001172983445 793551350 /nfs/dbraw/zinc/55/13/50/793551350.db2.gz GAJBGPDQYKRHFH-GRDNDAEWSA-N 0 3 323.437 2.125 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102328284 793574783 /nfs/dbraw/zinc/57/47/83/793574783.db2.gz CQQRACJJIPOZDJ-IIDMSEBBSA-N 0 3 318.465 2.207 20 30 DEEDHN CCC[C@@H](CC)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102485404 793629612 /nfs/dbraw/zinc/62/96/12/793629612.db2.gz RNZCCTAHDMDSIV-BRWVUGGUSA-N 0 3 308.466 2.147 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cccn2C)C1 ZINC001102669245 793699362 /nfs/dbraw/zinc/69/93/62/793699362.db2.gz LVNUJQAIUQUCRD-TZMCWYRMSA-N 0 3 309.841 2.465 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)nn2C)C1 ZINC001102728000 793727897 /nfs/dbraw/zinc/72/78/97/793727897.db2.gz HRBSYKAJTURGAV-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]cc2C)C1 ZINC001102961884 793839968 /nfs/dbraw/zinc/83/99/68/793839968.db2.gz YHKJXPWQEGCCBW-DGCLKSJQSA-N 0 3 310.829 2.158 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001174636492 794026838 /nfs/dbraw/zinc/02/68/38/794026838.db2.gz ALFDAJWSKYFXFF-ZDUSSCGKSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001174848701 794085631 /nfs/dbraw/zinc/08/56/31/794085631.db2.gz GMGOZPYBQSSZGR-GJZGRUSLSA-N 0 3 321.469 2.182 20 30 DEEDHN C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001174872801 794091531 /nfs/dbraw/zinc/09/15/31/794091531.db2.gz JTNGKOMUCWZCDS-CYBMUJFWSA-N 0 3 320.437 2.335 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001175083041 794136005 /nfs/dbraw/zinc/13/60/05/794136005.db2.gz UJWQCJOAHJAWNO-PBHICJAKSA-N 0 3 321.469 2.182 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCOc1ccccc1F ZINC001175217268 794160074 /nfs/dbraw/zinc/16/00/74/794160074.db2.gz RCJDVJYMUQDDLX-UHFFFAOYSA-N 0 3 314.788 2.443 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1C ZINC001103944260 794319789 /nfs/dbraw/zinc/31/97/89/794319789.db2.gz FRKMJEPYJUJENJ-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)co2)C1 ZINC001111843970 794499222 /nfs/dbraw/zinc/49/92/22/794499222.db2.gz YLSNYYFNOYYESQ-YJBOKZPZSA-N 0 3 318.417 2.375 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCOCC=C)C[C@H]1C(F)(F)F ZINC001112079546 794556116 /nfs/dbraw/zinc/55/61/16/794556116.db2.gz OHAJCTHCYGZDJG-CHWSQXEVSA-N 0 3 320.355 2.134 20 30 DEEDHN CC(C)=CCN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001112098509 794559320 /nfs/dbraw/zinc/55/93/20/794559320.db2.gz KAQDLQBCHCYMIP-ZIAGYGMSSA-N 0 3 314.351 2.345 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCC)C1 ZINC001112143176 794563491 /nfs/dbraw/zinc/56/34/91/794563491.db2.gz MAICOWSOKHSRQC-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCNCc1ccc(F)cc1F ZINC001177269800 794630370 /nfs/dbraw/zinc/63/03/70/794630370.db2.gz VZJCJHZQOJPGGN-GFCCVEGCSA-N 0 3 312.360 2.152 20 30 DEEDHN CC(C)[C@H](C(=O)N(CCCNCC#N)CC1CCCC1)N(C)C ZINC001177408946 794663158 /nfs/dbraw/zinc/66/31/58/794663158.db2.gz MJZFXWAUJUNTRR-QGZVFWFLSA-N 0 3 322.497 2.095 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2cc(C)n(C)n2)CCCC1 ZINC001177552307 794689328 /nfs/dbraw/zinc/68/93/28/794689328.db2.gz DMAHCXGFVOWXET-UHFFFAOYSA-N 0 3 318.465 2.461 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C(=O)Nc1c(C)cccc1C ZINC001177553178 794690573 /nfs/dbraw/zinc/69/05/73/794690573.db2.gz ZVXGFKVZFAUPKI-UHFFFAOYSA-N 0 3 323.824 2.090 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnn(C)c2)CCCCC1 ZINC001115402966 794760594 /nfs/dbraw/zinc/76/05/94/794760594.db2.gz SDSAWZFWZMMYGK-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2ccccn2)CCCCC1 ZINC001115447992 794776325 /nfs/dbraw/zinc/77/63/25/794776325.db2.gz ODXIJUMYCBUQCS-UHFFFAOYSA-N 0 3 317.433 2.193 20 30 DEEDHN Cc1noc(C)c1CNC1(CNC(=O)[C@H](C)C#N)CCCCC1 ZINC001115451783 794777758 /nfs/dbraw/zinc/77/77/58/794777758.db2.gz GHSKQAPJASINMN-GFCCVEGCSA-N 0 3 318.421 2.360 20 30 DEEDHN C=CCCC(=O)NCCCCCCNCc1nnc(C)n1CC ZINC001178007396 794794428 /nfs/dbraw/zinc/79/44/28/794794428.db2.gz CUIOPBJKSYYNNY-UHFFFAOYSA-N 0 3 321.469 2.339 20 30 DEEDHN C=CCCC(=O)NCCCCCCNCc1nnc(CC)n1C ZINC001178018359 794796379 /nfs/dbraw/zinc/79/63/79/794796379.db2.gz PXXSHGFDHWLBOH-UHFFFAOYSA-N 0 3 321.469 2.110 20 30 DEEDHN Cc1nc(CNCCCCCCNC(=O)[C@H](C)C#N)cs1 ZINC001178058541 794809165 /nfs/dbraw/zinc/80/91/65/794809165.db2.gz HBUDXWQRXNVZJG-GFCCVEGCSA-N 0 3 308.451 2.377 20 30 DEEDHN CC(C)n1ccc(CNCCCCCCNC(=O)[C@H](C)C#N)n1 ZINC001178058383 794809323 /nfs/dbraw/zinc/80/93/23/794809323.db2.gz FSKCKDOSTMANCV-OAHLLOKOSA-N 0 3 319.453 2.390 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccn(C)n2)CCCCC1 ZINC001115532049 794812357 /nfs/dbraw/zinc/81/23/57/794812357.db2.gz ICTUESHXHOMFNH-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)C(C)(F)F ZINC001178034141 794817507 /nfs/dbraw/zinc/81/75/07/794817507.db2.gz NGKOCDUXZGNWJG-WFASDCNBSA-N 0 3 324.346 2.411 20 30 DEEDHN C=C(C)CC[NH2+]C1(CNC(=O)c2cnc[n-]c2=O)CCCCC1 ZINC001115587734 794830715 /nfs/dbraw/zinc/83/07/15/794830715.db2.gz UYRFFQFPVRAUJQ-UHFFFAOYSA-N 0 3 318.421 2.171 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001178582360 794946353 /nfs/dbraw/zinc/94/63/53/794946353.db2.gz YHTFQFPYMKZSRP-OWQGQXMQSA-N 0 3 320.408 2.232 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001150818038 794974694 /nfs/dbraw/zinc/97/46/94/794974694.db2.gz NCAJPPDZEJGSNB-HFCFLWKCSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2c(C)nnn2CC)[C@@H]1C ZINC001178805584 794999782 /nfs/dbraw/zinc/99/97/82/794999782.db2.gz HAOLVNUQGOKMKW-GJZGRUSLSA-N 0 3 319.453 2.042 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001179314636 795098509 /nfs/dbraw/zinc/09/85/09/795098509.db2.gz YRDZNYZIQZJWMG-RDJZCZTQSA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(C)=C(C)C)[C@H]1C ZINC001179332269 795101213 /nfs/dbraw/zinc/10/12/13/795101213.db2.gz JPCBHTOVNKHTJY-PMPSAXMXSA-N 0 3 321.465 2.003 20 30 DEEDHN C=CC[C@H]1NC(=O)N([C@@H]2CCN(Cc3ccc(C)cc3)C2)C1=O ZINC001118922509 795239199 /nfs/dbraw/zinc/23/91/99/795239199.db2.gz BUKYPTLXEARIII-HZPDHXFCSA-N 0 3 313.401 2.066 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001119504061 795313355 /nfs/dbraw/zinc/31/33/55/795313355.db2.gz AEULRFSDWKCQHX-UONOGXRCSA-N 0 3 303.475 2.455 20 30 DEEDHN O=C(c1ccccc1O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001181050753 795408749 /nfs/dbraw/zinc/40/87/49/795408749.db2.gz XHPYMZPKXNUFSE-QGZVFWFLSA-N 0 3 320.392 2.248 20 30 DEEDHN C#Cc1cccc(NC(=O)CNC[C@@H](O)CC2CCCC2)c1 ZINC001120485288 795470942 /nfs/dbraw/zinc/47/09/42/795470942.db2.gz LXBZCLLJSDXOTC-KRWDZBQOSA-N 0 3 300.402 2.137 20 30 DEEDHN Cc1ncc(CNC[C@]2(C)CN(C(=O)C#CC(C)C)C[C@H]2C)o1 ZINC001181460586 795475779 /nfs/dbraw/zinc/47/57/79/795475779.db2.gz OQECQWZVWGBULO-RDTXWAMCSA-N 0 3 317.433 2.217 20 30 DEEDHN CCc1cc(NC(=O)C2(O)CCN(C)CC2)cc(CC)c1C#N ZINC001182032898 795590455 /nfs/dbraw/zinc/59/04/55/795590455.db2.gz FWCZNOJBAYBDJA-UHFFFAOYSA-N 0 3 315.417 2.078 20 30 DEEDHN C=CCN(c1nnc([C@@H]2CCCN(C)C2)n1CC=C)C1CC1 ZINC001121666756 795669881 /nfs/dbraw/zinc/66/98/81/795669881.db2.gz BBZAJRXCTOPFAH-CQSZACIVSA-N 0 3 301.438 2.428 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCc1cn[nH]c1)C2 ZINC001121891515 795699636 /nfs/dbraw/zinc/69/96/36/795699636.db2.gz ZUCOWCNMTLVMFV-UHFFFAOYSA-N 0 3 322.840 2.112 20 30 DEEDHN CCCCOCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC001122406251 795754885 /nfs/dbraw/zinc/75/48/85/795754885.db2.gz HVPCRJCCAYAHCX-AWEZNQCLSA-N 0 3 304.346 2.159 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2nccc(C)n2)CC1 ZINC001122419202 795756125 /nfs/dbraw/zinc/75/61/25/795756125.db2.gz YKRSMBOJLDYOOE-OAHLLOKOSA-N 0 3 302.422 2.175 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001182873712 795772327 /nfs/dbraw/zinc/77/23/27/795772327.db2.gz JMXQUGWEWDSXEP-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(CN1CCCC1)C(=O)NC(C)(C)C(=O)c1ccccc1 ZINC001183080013 795796316 /nfs/dbraw/zinc/79/63/16/795796316.db2.gz LFYDBFRJXLNZJL-UHFFFAOYSA-N 0 3 300.402 2.416 20 30 DEEDHN C#CCSCC(=O)C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC001122979993 795834156 /nfs/dbraw/zinc/83/41/56/795834156.db2.gz HOMYCAGBSAZHPC-GJZGRUSLSA-N 0 3 314.410 2.329 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001183516197 795879011 /nfs/dbraw/zinc/87/90/11/795879011.db2.gz BUDKQIRMQGNYFL-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2([C@H]3CCCO3)CCC2)CC1 ZINC001123503378 795923719 /nfs/dbraw/zinc/92/37/19/795923719.db2.gz MRBICDKSMQXDRW-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183958816 795967476 /nfs/dbraw/zinc/96/74/76/795967476.db2.gz DIBVJYUJXTWNKF-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CCn2cccc2)CC1 ZINC001151374931 795975176 /nfs/dbraw/zinc/97/51/76/795975176.db2.gz QSYXOEILNMAZKP-UHFFFAOYSA-N 0 3 319.449 2.052 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001184321872 796041659 /nfs/dbraw/zinc/04/16/59/796041659.db2.gz XIZBUXUWJSQXRT-NVXWUHKLSA-N 0 3 300.377 2.069 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](NCc2cncs2)C1 ZINC001184646428 796099610 /nfs/dbraw/zinc/09/96/10/796099610.db2.gz YNRJFORVIWBKDL-CZUORRHYSA-N 0 3 323.462 2.062 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001184815202 796132240 /nfs/dbraw/zinc/13/22/40/796132240.db2.gz NHKOCHFLDDHSLK-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001185051106 796170206 /nfs/dbraw/zinc/17/02/06/796170206.db2.gz YAKATQRSCRFKAW-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCOc1ccc(CN(C)CCc2noc(C)n2)cc1OC ZINC001138343546 796201682 /nfs/dbraw/zinc/20/16/82/796201682.db2.gz LYAWHYZRVRHCQY-UHFFFAOYSA-N 0 3 315.373 2.073 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1[O-] ZINC001138624921 796245908 /nfs/dbraw/zinc/24/59/08/796245908.db2.gz VFMZGIXZRJDGHF-UHFFFAOYSA-N 0 3 300.402 2.223 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2cnoc2C)C12CCC2 ZINC001202847933 796250711 /nfs/dbraw/zinc/25/07/11/796250711.db2.gz XZMXVHRGKKLWDK-CVEARBPZSA-N 0 3 315.417 2.304 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202878586 796303451 /nfs/dbraw/zinc/30/34/51/796303451.db2.gz UNKLLPWBMRGDHY-HUUCEWRRSA-N 0 3 317.458 2.320 20 30 DEEDHN C=CCOc1ccccc1CN1CCC[C@]2(CCNC2=O)C1 ZINC001139028585 796311533 /nfs/dbraw/zinc/31/15/33/796311533.db2.gz YCYUFOKMBWVXLU-SFHVURJKSA-N 0 3 300.402 2.354 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnn(CCC)c3)C2)C1=O ZINC001139038601 796312751 /nfs/dbraw/zinc/31/27/51/796312751.db2.gz GNUNLDIYKUMCLP-GOSISDBHSA-N 0 3 316.449 2.294 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c(C)n[nH]c1C)C2 ZINC001139098062 796322417 /nfs/dbraw/zinc/32/24/17/796322417.db2.gz FRTVTXOWDMSDAE-DOTOQJQBSA-N 0 3 305.422 2.353 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(F)c3ncccc3c2)C1 ZINC001186377603 796401579 /nfs/dbraw/zinc/40/15/79/796401579.db2.gz VLDWIFLTMJJJAK-OAHLLOKOSA-N 0 3 311.360 2.201 20 30 DEEDHN CC1=NC2(CCN(Cc3ccc(C)c(C#N)c3)CC2)C(=O)N1C ZINC001139727291 796417324 /nfs/dbraw/zinc/41/73/24/796417324.db2.gz MKWPHSHFGWUUJV-UHFFFAOYSA-N 0 3 310.401 2.092 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001186673939 796435033 /nfs/dbraw/zinc/43/50/33/796435033.db2.gz DOAYOXHNQYFGMJ-LSDHHAIUSA-N 0 3 320.458 2.405 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2coc(C3CCCC3)n2)C1 ZINC001186673520 796435205 /nfs/dbraw/zinc/43/52/05/796435205.db2.gz LXEWLPVOSYVGDS-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnn(CCCC)c2CC)C1 ZINC001186960699 796465852 /nfs/dbraw/zinc/46/58/52/796465852.db2.gz SPZAKIOZUGGFJN-OAHLLOKOSA-N 0 3 316.449 2.073 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1ccncn1)CC2 ZINC001140343956 796511487 /nfs/dbraw/zinc/51/14/87/796511487.db2.gz OJGPZHPGDGOKMS-QGZVFWFLSA-N 0 3 300.406 2.010 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC001187276768 796512911 /nfs/dbraw/zinc/51/29/11/796512911.db2.gz UVAUBJRBBDLOTP-OAHLLOKOSA-N 0 3 322.355 2.078 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccc(C#N)nc1)CC2 ZINC001140544070 796537476 /nfs/dbraw/zinc/53/74/76/796537476.db2.gz ZXIHECIVRCSQME-IBGZPJMESA-N 0 3 324.428 2.486 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)nc2)C[C@H]1c1ccccc1 ZINC001140547024 796538752 /nfs/dbraw/zinc/53/87/52/796538752.db2.gz FGSGTRYSKUXRSG-ZWKOTPCHSA-N 0 3 321.380 2.342 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001188010322 796609284 /nfs/dbraw/zinc/60/92/84/796609284.db2.gz QPXVPWQCXQIXHI-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2nsc3ccccc32)C1 ZINC001188032810 796620185 /nfs/dbraw/zinc/62/01/85/796620185.db2.gz ATROTYFIKLDZAH-CYBMUJFWSA-N 0 3 313.426 2.053 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H](NCC#CC)C2)cc1 ZINC001188217351 796645748 /nfs/dbraw/zinc/64/57/48/796645748.db2.gz DIGKBZGZKYXATR-QGZVFWFLSA-N 0 3 312.413 2.008 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)[C@@H]2C1 ZINC001188286572 796655167 /nfs/dbraw/zinc/65/51/67/796655167.db2.gz WJWKDKBAPHJZBH-GVDBMIGSSA-N 0 3 316.449 2.189 20 30 DEEDHN N#Cc1ccc2c(CN3CCC[C@@H](n4ccnn4)C3)c[nH]c2c1 ZINC001142925794 796786743 /nfs/dbraw/zinc/78/67/43/796786743.db2.gz DLQNIYSEBCMECF-OAHLLOKOSA-N 0 3 306.373 2.468 20 30 DEEDHN N#Cc1ccc2c(CN3CC[C@H](Oc4ncccn4)C3)c[nH]c2c1 ZINC001142931270 796786806 /nfs/dbraw/zinc/78/68/06/796786806.db2.gz PSOZIWGETKGKDQ-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN CCN1CCN(Cc2ccc(NC(=O)C3(C#N)CC3)cc2)CC1 ZINC001143181380 796808266 /nfs/dbraw/zinc/80/82/66/796808266.db2.gz HHPFEMSWJOUNFB-UHFFFAOYSA-N 0 3 312.417 2.066 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001189365502 796821053 /nfs/dbraw/zinc/82/10/53/796821053.db2.gz YBQSVAPFVBFTGK-MRXNPFEDSA-N 0 3 306.381 2.061 20 30 DEEDHN C=CCOCCN1CCCO[C@@H](CNC(=O)C=C(CC)CC)C1 ZINC001149541239 796867029 /nfs/dbraw/zinc/86/70/29/796867029.db2.gz JTYHWEUOOPIRKX-KRWDZBQOSA-N 0 3 324.465 2.143 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)CCCCCC ZINC001149798164 796896574 /nfs/dbraw/zinc/89/65/74/796896574.db2.gz ATIRAAQAUVMELC-UHFFFAOYSA-N 0 3 311.470 2.087 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)C[C@H]2CC(C)(C)CO2)C1 ZINC001189925793 796904409 /nfs/dbraw/zinc/90/44/09/796904409.db2.gz FHWAIIFSFJUJME-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)C[C@H]2CC(C)(C)CO2)C1 ZINC001189925794 796904431 /nfs/dbraw/zinc/90/44/31/796904431.db2.gz FHWAIIFSFJUJME-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN Cc1nc(CCN(C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001190053035 796928043 /nfs/dbraw/zinc/92/80/43/796928043.db2.gz CPZHSKPMYJSJSF-MRXNPFEDSA-N 0 3 319.474 2.186 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CN(C[C@H]2CCCCO2)CCCO1 ZINC001150212386 796928448 /nfs/dbraw/zinc/92/84/48/796928448.db2.gz QNKXEFFHTBHMBY-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCCC1(C(=O)NC[C@@H]2CN(CCCF)CCCO2)CC1 ZINC001150254674 796931524 /nfs/dbraw/zinc/93/15/24/796931524.db2.gz SAXFUPVQTWTSPB-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001150357802 796937692 /nfs/dbraw/zinc/93/76/92/796937692.db2.gz UAMVACJPKFEGFU-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(C)(C)C(F)(F)F)C1 ZINC001150619854 796961974 /nfs/dbraw/zinc/96/19/74/796961974.db2.gz FTLFPDCUXUJFMR-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccccc2)CC1 ZINC001150902722 796989478 /nfs/dbraw/zinc/98/94/78/796989478.db2.gz FHGDPUCKVKTOBR-UHFFFAOYSA-N 0 3 302.418 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001190984998 797118801 /nfs/dbraw/zinc/11/88/01/797118801.db2.gz ZNBVMPBVLLBLQL-BRWVUGGUSA-N 0 3 306.450 2.250 20 30 DEEDHN Cc1ncsc1CNCCNC(=O)CC#Cc1ccccc1 ZINC001151952770 797122886 /nfs/dbraw/zinc/12/28/86/797122886.db2.gz GODKCJCOXNMKGD-UHFFFAOYSA-N 0 3 313.426 2.099 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001191018902 797125573 /nfs/dbraw/zinc/12/55/73/797125573.db2.gz GJEPOPOXKYNTIB-ZDUSSCGKSA-N 0 3 301.862 2.002 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C(N)=O)c1 ZINC001152353179 797175800 /nfs/dbraw/zinc/17/58/00/797175800.db2.gz VCUWJIUOKVZDGI-CQSZACIVSA-N 0 3 317.433 2.078 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152371005 797179275 /nfs/dbraw/zinc/17/92/75/797179275.db2.gz YPRTYVASICOOAJ-OAHLLOKOSA-N 0 3 315.417 2.087 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001191717816 797247169 /nfs/dbraw/zinc/24/71/69/797247169.db2.gz BOMKOGKXABIQJT-LBPRGKRZSA-N 0 3 304.381 2.013 20 30 DEEDHN C[C@@H](C[C@H]1CCCO1)C(=O)NCCNCc1ccc(C#N)s1 ZINC001153024600 797271231 /nfs/dbraw/zinc/27/12/31/797271231.db2.gz OFLOCECBMMVUKB-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN CN(C)c1ccccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001153414019 797336349 /nfs/dbraw/zinc/33/63/49/797336349.db2.gz HXBOKFHACSEQRV-UHFFFAOYSA-N 0 3 322.412 2.144 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001153549488 797351438 /nfs/dbraw/zinc/35/14/38/797351438.db2.gz VRTBKBMAGMIYBR-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccccc1F ZINC001153548574 797351522 /nfs/dbraw/zinc/35/15/22/797351522.db2.gz HMOKHPLHWYAAPK-CABCVRRESA-N 0 3 320.408 2.443 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cn(C)c2ccc(F)cc12 ZINC001153854645 797410439 /nfs/dbraw/zinc/41/04/39/797410439.db2.gz NRXQAFSKBBTKGJ-CYBMUJFWSA-N 0 3 315.392 2.391 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001192621167 797425540 /nfs/dbraw/zinc/42/55/40/797425540.db2.gz FUGXTEAGEGSYPY-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001192802121 797450072 /nfs/dbraw/zinc/45/00/72/797450072.db2.gz UTCWVSWAAITUGS-JKSUJKDBSA-N 0 3 320.433 2.194 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnn1-c1ccccc1 ZINC001154042183 797450623 /nfs/dbraw/zinc/45/06/23/797450623.db2.gz KAVIBFGZMGPCNI-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)C(C)(C)N(C)CC ZINC001154069365 797455999 /nfs/dbraw/zinc/45/59/99/797455999.db2.gz ASIONKFKJVHLDX-CYBMUJFWSA-N 0 3 303.878 2.296 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1cccc(OC)c1 ZINC001154283556 797503770 /nfs/dbraw/zinc/50/37/70/797503770.db2.gz BEFWVVCYAPKLLH-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C=C(Br)CNCCCNC(=O)Cc1ccsc1 ZINC001154305025 797507385 /nfs/dbraw/zinc/50/73/85/797507385.db2.gz ZJLDQNWWQQJWGN-UHFFFAOYSA-N 0 3 317.252 2.295 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001154373371 797524903 /nfs/dbraw/zinc/52/49/03/797524903.db2.gz GBXUWXLPWJVCPT-KGLIPLIRSA-N 0 3 300.402 2.083 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccc(C)o1 ZINC001154398498 797527463 /nfs/dbraw/zinc/52/74/63/797527463.db2.gz DDFBCMXPPGMESZ-UHFFFAOYSA-N 0 3 301.184 2.206 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ncoc2C(C)C)C1 ZINC001193302217 797541830 /nfs/dbraw/zinc/54/18/30/797541830.db2.gz RPJIDQMUDWHMFD-CQSZACIVSA-N 0 3 321.421 2.147 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001154492880 797544468 /nfs/dbraw/zinc/54/44/68/797544468.db2.gz SRRJJWZEFZJRRU-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001154528944 797554220 /nfs/dbraw/zinc/55/42/20/797554220.db2.gz RYGCUCVWONJKLT-SECBINFHSA-N 0 3 302.205 2.395 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC001193933412 797645011 /nfs/dbraw/zinc/64/50/11/797645011.db2.gz YLOFODKUJMTRBN-SFHVURJKSA-N 0 3 316.445 2.273 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@@H](C)C(F)(F)F ZINC001154973246 797650989 /nfs/dbraw/zinc/65/09/89/797650989.db2.gz QHLAPUAWJGIBDO-CHWSQXEVSA-N 0 3 322.371 2.051 20 30 DEEDHN C#CCCCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001155018211 797662054 /nfs/dbraw/zinc/66/20/54/797662054.db2.gz VZRJFLZPLMTIBM-LBPRGKRZSA-N 0 3 300.362 2.251 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC001194049660 797669501 /nfs/dbraw/zinc/66/95/01/797669501.db2.gz WUKSXHWRAGPTPK-MRXNPFEDSA-N 0 3 319.449 2.418 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)COc2ccccc2)C1 ZINC001194062104 797671197 /nfs/dbraw/zinc/67/11/97/797671197.db2.gz YZYIOPAZFRHWMP-JKSUJKDBSA-N 0 3 302.418 2.420 20 30 DEEDHN C=C[C@@H](C(=O)N1CC[C@@H](N(C)CCOC)C1)c1ccccc1 ZINC001194183110 797688964 /nfs/dbraw/zinc/68/89/64/797688964.db2.gz JZVXOEBOAPOTLS-IAGOWNOFSA-N 0 3 302.418 2.135 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001195272259 797862859 /nfs/dbraw/zinc/86/28/59/797862859.db2.gz RGXXUFHYICBKFP-HZPDHXFCSA-N 0 3 320.477 2.330 20 30 DEEDHN COc1ccccc1OC(=O)N1CCC2SC(=O)C=C2C1 ZINC001195240086 797866344 /nfs/dbraw/zinc/86/63/44/797866344.db2.gz LNJLNQKWLTWUQV-ZDUSSCGKSA-N 0 3 305.355 2.468 20 30 DEEDHN C=CCOCC(=O)N1CCCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC001195283750 797870947 /nfs/dbraw/zinc/87/09/47/797870947.db2.gz IQJGTFYICKKHIA-CQSZACIVSA-N 0 3 316.392 2.159 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001155877907 797872506 /nfs/dbraw/zinc/87/25/06/797872506.db2.gz MRCDKCMWBMYGED-CQSZACIVSA-N 0 3 318.465 2.181 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)CCC2CC2)c(F)c1 ZINC001155958589 797889530 /nfs/dbraw/zinc/88/95/30/797889530.db2.gz WMURCWGWZQCTJJ-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2nnn(C)c2C)CC1 ZINC001195394851 797898730 /nfs/dbraw/zinc/89/87/30/797898730.db2.gz ZUWWEEDGPWYETP-UHFFFAOYSA-N 0 3 319.453 2.018 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001195467842 797908751 /nfs/dbraw/zinc/90/87/51/797908751.db2.gz WMTNYDJXZUSCEI-ISIQUDIPSA-N 0 3 306.450 2.088 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001195532556 797921591 /nfs/dbraw/zinc/92/15/91/797921591.db2.gz PWXDQNIBVUQVCV-RMGSUIBPSA-N 0 3 308.466 2.496 20 30 DEEDHN COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)c1C ZINC001206659945 797932701 /nfs/dbraw/zinc/93/27/01/797932701.db2.gz UCRPORDPLPABJS-WOSRLPQWSA-N 0 3 315.417 2.100 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001156168027 797936908 /nfs/dbraw/zinc/93/69/08/797936908.db2.gz OQFUWHZHIWKPCW-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001195726479 797944187 /nfs/dbraw/zinc/94/41/87/797944187.db2.gz WOTIUUCFKKXBOP-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN CCO[C@H](CN1CCCN(C(=O)C#CC(C)(C)C)CC1)C1CC1 ZINC001195785190 797962064 /nfs/dbraw/zinc/96/20/64/797962064.db2.gz GDLFQFCPVSVPSO-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001195807357 797967257 /nfs/dbraw/zinc/96/72/57/797967257.db2.gz HQMGZXOIYMDEBX-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001195841766 797975159 /nfs/dbraw/zinc/97/51/59/797975159.db2.gz GDGSJSJWNZUXNX-HUUCEWRRSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@H]2O)C1 ZINC001196030607 797998377 /nfs/dbraw/zinc/99/83/77/797998377.db2.gz PTXHOHXBMADMQA-HUUCEWRRSA-N 0 3 308.466 2.330 20 30 DEEDHN Cc1cnc(-n2cncc2CNCc2ccccc2)c(C#N)n1 ZINC001156496635 798016263 /nfs/dbraw/zinc/01/62/63/798016263.db2.gz QGYFPRIEJNPMIM-UHFFFAOYSA-N 0 3 304.357 2.132 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C2(C)COC2)cc1 ZINC001196241951 798031375 /nfs/dbraw/zinc/03/13/75/798031375.db2.gz OWKDQORULINVLP-KRWDZBQOSA-N 0 3 314.429 2.355 20 30 DEEDHN N#Cc1ccc2c(c1)n[nH]c2C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001156884039 798101145 /nfs/dbraw/zinc/10/11/45/798101145.db2.gz FMPAXOTVDRGGKU-UHFFFAOYSA-N 0 3 320.356 2.177 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CN(CCCC)C[C@H]2O)CCCCC1 ZINC001196861410 798120871 /nfs/dbraw/zinc/12/08/71/798120871.db2.gz WPXZEQVBYBNAOX-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CCOC1CCC1 ZINC001157695930 798260634 /nfs/dbraw/zinc/26/06/34/798260634.db2.gz KUYFBHDUANRWEP-LSDHHAIUSA-N 0 3 307.438 2.028 20 30 DEEDHN C=C[C@H](CC(=O)N1CCCN(C[C@@H](C)O)CC1)c1ccccc1 ZINC001198205205 798294071 /nfs/dbraw/zinc/29/40/71/798294071.db2.gz PGENCRPVFDYUSJ-IAGOWNOFSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCCN(CC2CC(F)(F)C2)CC1 ZINC001198344322 798319994 /nfs/dbraw/zinc/31/99/94/798319994.db2.gz SVKATFLDMVMGOC-CYBMUJFWSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2nccn21 ZINC001158061945 798335165 /nfs/dbraw/zinc/33/51/65/798335165.db2.gz WUYLLCMNUMHEQF-HZPDHXFCSA-N 0 3 316.449 2.259 20 30 DEEDHN CCN(Cc1ccc(C)nc1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450361 798341302 /nfs/dbraw/zinc/34/13/02/798341302.db2.gz ZGJKTOKRCWMOJX-GXTWGEPZSA-N 0 3 302.422 2.185 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)CCCOC)c1ccccc1OC ZINC001198568634 798356277 /nfs/dbraw/zinc/35/62/77/798356277.db2.gz VGGKLRBBEDFEDM-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198595924 798362513 /nfs/dbraw/zinc/36/25/13/798362513.db2.gz NPYOTKLLJKXOLK-GDBMZVCRSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCOCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198605907 798366112 /nfs/dbraw/zinc/36/61/12/798366112.db2.gz MBXZCRDNHDVLJZ-HNNXBMFYSA-N 0 3 306.406 2.053 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H](C)C#N)c1ccccc1OC ZINC001198615806 798367409 /nfs/dbraw/zinc/36/74/09/798367409.db2.gz BZFCGCYQQYEXOI-UKRRQHHQSA-N 0 3 301.390 2.178 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc2n1CCCC2 ZINC001158377900 798397843 /nfs/dbraw/zinc/39/78/43/798397843.db2.gz RTPYOGLMJDEBIP-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001198880008 798412736 /nfs/dbraw/zinc/41/27/36/798412736.db2.gz JUDZBFCYFVVKBV-NUJGCVRESA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001158533875 798423767 /nfs/dbraw/zinc/42/37/67/798423767.db2.gz JSFDOYKRGQTVJN-CQSZACIVSA-N 0 3 310.829 2.018 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001199210644 798451269 /nfs/dbraw/zinc/45/12/69/798451269.db2.gz LRHKVXAKZPNCLG-GVDBMIGSSA-N 0 3 320.408 2.057 20 30 DEEDHN CCOCCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199741803 798530862 /nfs/dbraw/zinc/53/08/62/798530862.db2.gz JQAOKFVRQRBANS-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(NC(=O)CC)c1 ZINC001159283951 798545824 /nfs/dbraw/zinc/54/58/24/798545824.db2.gz OOLUQFHLZCQEQE-UHFFFAOYSA-N 0 3 323.824 2.497 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](CC)CCCC)CCCO1 ZINC001199914305 798561502 /nfs/dbraw/zinc/56/15/02/798561502.db2.gz PVEJTXVMZPGHFS-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN Cc1cnc(N[C@H](C)[C@H]2CNCCO2)c(C#C[Si](C)(C)C)c1 ZINC001159498545 798573243 /nfs/dbraw/zinc/57/32/43/798573243.db2.gz LWNXBPZLUYCTEJ-GDBMZVCRSA-N 0 3 317.509 2.408 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001160175270 798658223 /nfs/dbraw/zinc/65/82/23/798658223.db2.gz JDMQDTHBNWGIJD-RBUKOAKNSA-N 0 3 323.440 2.347 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(CC(C)C)CC2)CCCO1 ZINC001200663763 798662740 /nfs/dbraw/zinc/66/27/40/798662740.db2.gz URQOHTGTEVQXAS-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2snnc2C2CC2)CC1 ZINC001160415667 798686117 /nfs/dbraw/zinc/68/61/17/798686117.db2.gz BDZHKSYRDDWFFR-UHFFFAOYSA-N 0 3 318.446 2.354 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001160511425 798697471 /nfs/dbraw/zinc/69/74/71/798697471.db2.gz VMKPQTSJVKZVJS-UHFFFAOYSA-N 0 3 322.836 2.403 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2c[nH]nc2CCC)CC1 ZINC001160574147 798707799 /nfs/dbraw/zinc/70/77/99/798707799.db2.gz KOMXOEHDCXMRPF-UHFFFAOYSA-N 0 3 302.422 2.300 20 30 DEEDHN N#C[C@H]1CCCCN1C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001160635558 798713408 /nfs/dbraw/zinc/71/34/08/798713408.db2.gz ATMRRVJKAPIBKO-PLENUKSMSA-N 0 3 301.434 2.435 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](C)CCCCCC)CCCO1 ZINC001201695840 798787094 /nfs/dbraw/zinc/78/70/94/798787094.db2.gz RFRJVRNVHNNDOM-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCCC(=O)NCCC1=CCN(CCn2cccn2)CC1 ZINC001161056299 798789017 /nfs/dbraw/zinc/78/90/17/798789017.db2.gz BUZVVNHFCDKZDS-UHFFFAOYSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C[C@H](C(=O)N1CCCO[C@H](CNCCF)C1)c1ccccc1 ZINC001202133809 798831315 /nfs/dbraw/zinc/83/13/15/798831315.db2.gz JEBKQUCOCUCEFJ-SJORKVTESA-N 0 3 320.408 2.133 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2CCC(C)(C)CC2)CCCO1 ZINC001202174065 798836544 /nfs/dbraw/zinc/83/65/44/798836544.db2.gz PQOXFLSWVOJQEZ-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2CCC(C)(C)CC2)CCCO1 ZINC001202182577 798837458 /nfs/dbraw/zinc/83/74/58/798837458.db2.gz GGQLJLMMPTXCNN-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@H](CNCCF)C2)CCCCC1 ZINC001202190671 798839094 /nfs/dbraw/zinc/83/90/94/798839094.db2.gz FQZCQMNXFVLQDO-MRXNPFEDSA-N 0 3 324.440 2.137 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(CCC(F)(F)F)CC1 ZINC001202356158 798872452 /nfs/dbraw/zinc/87/24/52/798872452.db2.gz OBFOQNPJOZGNCK-UHFFFAOYSA-N 0 3 305.388 2.230 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCC)OCC ZINC001110616455 798922625 /nfs/dbraw/zinc/92/26/25/798922625.db2.gz HVGJLYQLDVBVPV-NCOADZHNSA-N 0 3 324.465 2.116 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC001161972575 798982821 /nfs/dbraw/zinc/98/28/21/798982821.db2.gz GEMRGEXGNFSGIP-ZWKOTPCHSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CCC)(COC)CC1 ZINC001162176099 799027882 /nfs/dbraw/zinc/02/78/82/799027882.db2.gz JTSSKKXKRDKFID-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2[C@H]3CN(CCOCCCC)C[C@H]32)CCC1 ZINC001114397065 799079716 /nfs/dbraw/zinc/07/97/16/799079716.db2.gz GVLYMPMRVGNADU-FVQHAEBGSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)CC(=C)C)(COC)CC1 ZINC001162428806 799086905 /nfs/dbraw/zinc/08/69/05/799086905.db2.gz LFIVXGXENUHIPW-MRXNPFEDSA-N 0 3 306.450 2.067 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2C[C@@]2(C)CC)(COC)CC1 ZINC001162563414 799118076 /nfs/dbraw/zinc/11/80/76/799118076.db2.gz IZTCIOSHOAERBJ-SJLPKXTDSA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)CSC ZINC001162689150 799147964 /nfs/dbraw/zinc/14/79/64/799147964.db2.gz XWIGNWATRQUOFI-UHFFFAOYSA-N 0 3 304.459 2.034 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1occc1C ZINC001162702242 799151755 /nfs/dbraw/zinc/15/17/55/799151755.db2.gz NYKDDRXTZZLXQK-UHFFFAOYSA-N 0 3 310.397 2.496 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CCCOCC ZINC001162714810 799155483 /nfs/dbraw/zinc/15/54/83/799155483.db2.gz RHMIVFHYCOLLTJ-UHFFFAOYSA-N 0 3 316.445 2.097 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)CC(F)F ZINC001162731432 799159774 /nfs/dbraw/zinc/15/97/74/799159774.db2.gz OJTWFCWCHLZYDD-MRVPVSSYSA-N 0 3 313.186 2.282 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)C[C@H](C)SC ZINC001162779733 799172058 /nfs/dbraw/zinc/17/20/58/799172058.db2.gz FIKYQHSCOYSVQD-INIZCTEOSA-N 0 3 318.486 2.422 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)Cc1ccco1 ZINC001162964273 799209671 /nfs/dbraw/zinc/20/96/71/799209671.db2.gz UZFULEUAFCTBRI-UHFFFAOYSA-N 0 3 310.397 2.116 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cccc(OC)c2OC)CC1 ZINC001006344358 799261400 /nfs/dbraw/zinc/26/14/00/799261400.db2.gz QHNCGLBCBUGEJS-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCNC(=O)N1CCN2C[C@@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001202567344 799271792 /nfs/dbraw/zinc/27/17/92/799271792.db2.gz WYYQZXRBQLOENH-RDJZCZTQSA-N 0 3 315.417 2.028 20 30 DEEDHN CC(=O)C=C(C)Nc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001163736813 799419447 /nfs/dbraw/zinc/41/94/47/799419447.db2.gz GSCOADZHCMWFCB-NTMALXAHSA-N 0 3 304.394 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC1(CNCc2ccccc2C#N)CC1 ZINC001163854021 799446148 /nfs/dbraw/zinc/44/61/48/799446148.db2.gz HZMOKJAKDKLOEW-CQSZACIVSA-N 0 3 310.401 2.094 20 30 DEEDHN Cc1cc(CN)nn1-c1cc(Br)ccc1OCC#N ZINC001163981972 799471826 /nfs/dbraw/zinc/47/18/26/799471826.db2.gz WAFFFUYWQYJRNX-UHFFFAOYSA-N 0 3 321.178 2.304 20 30 DEEDHN Cc1cc(CN)nn1-c1nc(C)c(Br)c(C)c1C#N ZINC001163985523 799472813 /nfs/dbraw/zinc/47/28/13/799472813.db2.gz VUVKTXWBGYJEMS-UHFFFAOYSA-N 0 3 320.194 2.285 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCCOCC2)CC1 ZINC001164320703 799570840 /nfs/dbraw/zinc/57/08/40/799570840.db2.gz LPBPNDRUVSFTGP-AWEZNQCLSA-N 0 3 314.857 2.432 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CC[C@H](F)C1 ZINC001164631582 799636305 /nfs/dbraw/zinc/63/63/05/799636305.db2.gz ITYKBPFODMVHFY-CJNGLKHVSA-N 0 3 303.381 2.292 20 30 DEEDHN CN(C)C1(C)CN(C(F)(F)c2ccc(C#N)c(Cl)n2)C1 ZINC001165117028 799654053 /nfs/dbraw/zinc/65/40/53/799654053.db2.gz PNFGGOMIQOLMDQ-UHFFFAOYSA-N 0 3 300.740 2.292 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c1CCCC3)C2 ZINC001095551496 799658473 /nfs/dbraw/zinc/65/84/73/799658473.db2.gz AMPUUMAYYQGGIZ-HFTRVMKXSA-N 0 3 311.429 2.183 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3cccn3cn1)C2 ZINC001095605964 799669925 /nfs/dbraw/zinc/66/99/25/799669925.db2.gz MKFNYJWBQCIUBK-VYDXJSESSA-N 0 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C=CC(C)(C)CC(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001208241622 800937637 /nfs/dbraw/zinc/93/76/37/800937637.db2.gz YVDQYJGNHUJMFI-MRXNPFEDSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCCC)C1 ZINC001208245225 800937650 /nfs/dbraw/zinc/93/76/50/800937650.db2.gz CPNINRQVBCGXRN-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC001208255760 800942052 /nfs/dbraw/zinc/94/20/52/800942052.db2.gz QKIFOSFEDYGUIT-INIZCTEOSA-N 0 3 304.438 2.165 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001208260642 800943078 /nfs/dbraw/zinc/94/30/78/800943078.db2.gz AGUIPILJHRONCY-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001208261235 800943852 /nfs/dbraw/zinc/94/38/52/800943852.db2.gz LKXGYVKEBMJCSZ-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)CCOCC1 ZINC001208311812 800950795 /nfs/dbraw/zinc/95/07/95/800950795.db2.gz 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DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001222067532 802637117 /nfs/dbraw/zinc/63/71/17/802637117.db2.gz JCEVXHSORPDXRY-HOTGVXAUSA-N 0 3 317.433 2.062 20 30 DEEDHN N#Cc1cccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)n1 ZINC001223061630 802763198 /nfs/dbraw/zinc/76/31/98/802763198.db2.gz MJZRYFXYYYXBNF-QAQDUYKDSA-N 0 3 301.390 2.113 20 30 DEEDHN Cc1noc(C)c1CN1CCC(CNC(=O)C#CC2CC2)CC1 ZINC001223130450 802767999 /nfs/dbraw/zinc/76/79/99/802767999.db2.gz MSORABAGXPZOQS-UHFFFAOYSA-N 0 3 315.417 2.033 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](c2cccnc2)C(C)C)CC1 ZINC001224981234 802923708 /nfs/dbraw/zinc/92/37/08/802923708.db2.gz VDETWKUTJGURHT-SFHVURJKSA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)n2cnc3ccccc32)CC1 ZINC001225075230 802934003 /nfs/dbraw/zinc/93/40/03/802934003.db2.gz DPBBIYQKNZMKBD-HNNXBMFYSA-N 0 3 324.428 2.059 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 ZINC001225305083 802953142 /nfs/dbraw/zinc/95/31/42/802953142.db2.gz SMIOYDMXNXCPIR-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)COc2ccccc2)CC1 ZINC001225442654 802966561 /nfs/dbraw/zinc/96/65/61/802966561.db2.gz QZEVVSPQOSPRDJ-INIZCTEOSA-N 0 3 314.429 2.163 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cccc(OCC)c2)CC1 ZINC001225582722 802986648 /nfs/dbraw/zinc/98/66/48/802986648.db2.gz RMCLGYYIXDUSGT-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CCCOCC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001225626248 802992284 /nfs/dbraw/zinc/99/22/84/802992284.db2.gz VVFJMDIIYCSZHK-HNNXBMFYSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)CC ZINC001226533475 803120857 /nfs/dbraw/zinc/12/08/57/803120857.db2.gz ZPCKEYDSGQKCQZ-ARFHVFGLSA-N 0 3 323.481 2.274 20 30 DEEDHN COCc1ccc(CN2CCC(NC(=O)[C@H](C)C#N)CC2)cc1 ZINC001226625497 803133321 /nfs/dbraw/zinc/13/33/21/803133321.db2.gz KXUBTWSYBAHOHZ-CQSZACIVSA-N 0 3 315.417 2.073 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C)c(C)o2)CC1 ZINC001226867955 803170667 /nfs/dbraw/zinc/17/06/67/803170667.db2.gz UNXZQERUJPOUQL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/84/27/85/1167842785.db2.gz HZSYBDHPJAMNEY-BZPMIXESSA-N 0 3 305.809 2.484 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1cccc(Cl)c1C ZINC001331457150 1149463245 /nfs/dbraw/zinc/46/32/45/1149463245.db2.gz YGHPMBBSZVRFSC-CYBMUJFWSA-N 0 3 322.836 2.348 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C(C)(C)C1 ZINC001328101454 1148720689 /nfs/dbraw/zinc/72/06/89/1148720689.db2.gz FWJBGNFARDOEEU-HUUCEWRRSA-N 0 3 304.438 2.237 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001419692390 1168805097 /nfs/dbraw/zinc/80/50/97/1168805097.db2.gz BUSDXFMJYVPOIX-BXUZGUMPSA-N 0 3 309.360 2.382 20 30 DEEDHN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)nc1 ZINC001343056435 1150667380 /nfs/dbraw/zinc/66/73/80/1150667380.db2.gz PQFNYGNXJUXPKB-HOCLYGCPSA-N 0 3 316.405 2.165 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC001343511034 1150748856 /nfs/dbraw/zinc/74/88/56/1150748856.db2.gz WRJRJMSFBOFGCE-YHYOWMERSA-N 0 3 316.357 2.014 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2OC)C1 ZINC001522341177 1069342428 /nfs/dbraw/zinc/34/24/28/1069342428.db2.gz FTNYJWBZSWFHFH-DOTOQJQBSA-N 0 3 318.417 2.279 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNCc2cn[nH]n2)CCCCC1 ZINC001575050072 1069347849 /nfs/dbraw/zinc/34/78/49/1069347849.db2.gz WCSUGCULXPWAIY-UHFFFAOYSA-N 0 3 305.426 2.070 20 30 DEEDHN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001575118152 1069370811 /nfs/dbraw/zinc/37/08/11/1069370811.db2.gz BTNMAXUZHFCVMB-HIJUSWDOSA-N 0 3 303.450 2.457 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001523321419 1069628483 /nfs/dbraw/zinc/62/84/83/1069628483.db2.gz IOYOFSJMSXHMSP-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001602699485 1069729225 /nfs/dbraw/zinc/72/92/25/1069729225.db2.gz HGFINKPHJOVGMX-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001602699485 1069729231 /nfs/dbraw/zinc/72/92/31/1069729231.db2.gz HGFINKPHJOVGMX-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001602699485 1069729236 /nfs/dbraw/zinc/72/92/36/1069729236.db2.gz HGFINKPHJOVGMX-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001602699485 1069729244 /nfs/dbraw/zinc/72/92/44/1069729244.db2.gz HGFINKPHJOVGMX-ZDUSSCGKSA-N 0 3 311.389 2.111 20 30 DEEDHN C=C(C)CCC(=O)NC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001350905558 1151423954 /nfs/dbraw/zinc/42/39/54/1151423954.db2.gz DRFKJUAVWAVFKE-KRWDZBQOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC[NH+]1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001602839944 1069773268 /nfs/dbraw/zinc/77/32/68/1069773268.db2.gz MYJSWCWTEWPJIQ-UHFFFAOYSA-N 0 3 316.384 2.094 20 30 DEEDHN C=CCCC[NH+]1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001602839944 1069773276 /nfs/dbraw/zinc/77/32/76/1069773276.db2.gz MYJSWCWTEWPJIQ-UHFFFAOYSA-N 0 3 316.384 2.094 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCO[C@@H](C(C)C)C1 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/nfs/dbraw/zinc/54/13/38/1063541338.db2.gz YHVIEEZIBVGIDJ-AWEZNQCLSA-N 0 3 317.408 2.003 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)COCCC)CC[C@@H]1C(F)(F)F ZINC001508094164 1063548847 /nfs/dbraw/zinc/54/88/47/1063548847.db2.gz XFGZTNNHDLOVJD-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN(CCNC(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC001493416769 1063782195 /nfs/dbraw/zinc/78/21/95/1063782195.db2.gz BDXXNGIPNIYBLC-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)C(=O)CN1CCC(C)(C)C1 ZINC001508893556 1063897404 /nfs/dbraw/zinc/89/74/04/1063897404.db2.gz RVRCKRWYXDYQFB-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC[C@H](C(=O)N(C)CCNCC#CCOC)c1ccccc1 ZINC001493802370 1063967578 /nfs/dbraw/zinc/96/75/78/1063967578.db2.gz SCOZFZTZQRNQKB-SFHVURJKSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cscc1C(F)(F)F ZINC001493816331 1063975230 /nfs/dbraw/zinc/97/52/30/1063975230.db2.gz NEZTVZACPRQHAG-UHFFFAOYSA-N 0 3 304.337 2.452 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)N[C@H](C)c2nncn2C)CC1 ZINC001493819611 1063976493 /nfs/dbraw/zinc/97/64/93/1063976493.db2.gz NPHCHNCVTKDPRH-ZIAGYGMSSA-N 0 3 319.453 2.059 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1cnns1)c1ccccc1 ZINC001493883152 1064010181 /nfs/dbraw/zinc/01/01/81/1064010181.db2.gz HTEAREQYMRSVPO-CYBMUJFWSA-N 0 3 302.403 2.175 20 30 DEEDHN C=CCN[C@@H](CNC(=O)CC1CCOCC1)c1ccccc1 ZINC001493887598 1064011602 /nfs/dbraw/zinc/01/16/02/1064011602.db2.gz SBDZXBZSRNTURO-KRWDZBQOSA-N 0 3 302.418 2.436 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)CN(CC)CC)C(C)(C)C1 ZINC001509571906 1064048720 /nfs/dbraw/zinc/04/87/20/1064048720.db2.gz FLNXAIGPCQOLJL-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1cc(CN2CC[C@H](CCNC(=O)C#CC3CC3)C2)sn1 ZINC001494013958 1064081294 /nfs/dbraw/zinc/08/12/94/1064081294.db2.gz MLOUFBMGGGAGHU-HNNXBMFYSA-N 0 3 317.458 2.193 20 30 DEEDHN C[C@H]1CC[C@@H](CN(C)CCNC(=O)CC#Cc2ccccc2)O1 ZINC001567320496 1064143014 /nfs/dbraw/zinc/14/30/14/1064143014.db2.gz TWXIIOCKVYFGQF-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001567320042 1064143378 /nfs/dbraw/zinc/14/33/78/1064143378.db2.gz FGTLYFIWULGGIE-QGZVFWFLSA-N 0 3 302.418 2.260 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@H]1CCCC[C@H]1n1cccn1 ZINC001567335362 1064150378 /nfs/dbraw/zinc/15/03/78/1064150378.db2.gz TWAXVUSZVPKCRD-JKSUJKDBSA-N 0 3 304.438 2.239 20 30 DEEDHN CCCCOCCN1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001567365167 1064161524 /nfs/dbraw/zinc/16/15/24/1064161524.db2.gz OWOXVGAIKNHOEM-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)C[C@@H](C)n1cccn1)c1ccccc1 ZINC001567662622 1064324988 /nfs/dbraw/zinc/32/49/88/1064324988.db2.gz BEDBZPFJXYKDPA-AEFFLSMTSA-N 0 3 324.428 2.305 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1c(C)cnn1C)c1ccccc1 ZINC001567664233 1064329353 /nfs/dbraw/zinc/32/93/53/1064329353.db2.gz WMZDQDLZCSDZJR-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001494724217 1064433149 /nfs/dbraw/zinc/43/31/49/1064433149.db2.gz MVAFCCBUONYFII-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001494722934 1064433375 /nfs/dbraw/zinc/43/33/75/1064433375.db2.gz WDHBKYPQVLTJQG-KRWDZBQOSA-N 0 3 302.418 2.226 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001494724515 1064436097 /nfs/dbraw/zinc/43/60/97/1064436097.db2.gz SGIIWTAPVIKUAL-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001494761664 1064456449 /nfs/dbraw/zinc/45/64/49/1064456449.db2.gz XCPNUHWJMTUNQA-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCOCC(=O)NCC1CN([C@H]2CCc3ccccc32)C1 ZINC001567849676 1064457623 /nfs/dbraw/zinc/45/76/23/1064457623.db2.gz HLJLOWRVJDWPSY-SFHVURJKSA-N 0 3 314.429 2.315 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CCN(C[C@@H](C)OC)C2)CCCCC1 ZINC001567884438 1064485423 /nfs/dbraw/zinc/48/54/23/1064485423.db2.gz KQDWOICSSACORQ-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCCN1CC[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001494853093 1064513707 /nfs/dbraw/zinc/51/37/07/1064513707.db2.gz PMMKPIFNLHRXOI-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2csc(C)n2)C1 ZINC001567922671 1064521178 /nfs/dbraw/zinc/52/11/78/1064521178.db2.gz XJIAKJPIIVETOC-OAHLLOKOSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCOc2ccccc2F)C1 ZINC001567927052 1064528979 /nfs/dbraw/zinc/52/89/79/1064528979.db2.gz DVZKAIHTWUUGLD-AWEZNQCLSA-N 0 3 306.381 2.313 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2c(F)cccc2F)C1 ZINC001567940556 1064547469 /nfs/dbraw/zinc/54/74/69/1064547469.db2.gz IRBQQMIJZWTNPX-AWEZNQCLSA-N 0 3 320.383 2.453 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1cnn(C(C)(C)C)c1 ZINC001567959487 1064562634 /nfs/dbraw/zinc/56/26/34/1064562634.db2.gz JXFLDKQMLWJXLJ-INIZCTEOSA-N 0 3 318.465 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCc2nc(C)no2)C1 ZINC001494922409 1064576361 /nfs/dbraw/zinc/57/63/61/1064576361.db2.gz YKGMJRNFTFCEAE-OAHLLOKOSA-N 0 3 320.437 2.200 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@](C)(CNCc1cncn1C)C1CC1 ZINC001568022099 1064601571 /nfs/dbraw/zinc/60/15/71/1064601571.db2.gz QRVOBSBYGKEYQZ-GOSISDBHSA-N 0 3 318.465 2.397 20 30 DEEDHN Cc1cnc(CNCC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001568049764 1064619371 /nfs/dbraw/zinc/61/93/71/1064619371.db2.gz FQOVGCAGSKJXOK-TZMCWYRMSA-N 0 3 320.462 2.330 20 30 DEEDHN Cc1cnoc1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329169717 1148871051 /nfs/dbraw/zinc/87/10/51/1148871051.db2.gz QPOIUGFOTJBWKV-LSDHHAIUSA-N 0 3 311.385 2.131 20 30 DEEDHN CCOCC(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001568256053 1064731969 /nfs/dbraw/zinc/73/19/69/1064731969.db2.gz FLBLWJGEUFMLJG-AWEZNQCLSA-N 0 3 322.836 2.165 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)CCC1CCCCC1 ZINC001568315431 1064772597 /nfs/dbraw/zinc/77/25/97/1064772597.db2.gz FCGSJUOESFJUOH-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC001495342284 1064844874 /nfs/dbraw/zinc/84/48/74/1064844874.db2.gz QGIAKXQHCIBWDU-UONOGXRCSA-N 0 3 300.830 2.136 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1nccn1C ZINC001568532463 1064943292 /nfs/dbraw/zinc/94/32/92/1064943292.db2.gz FFCQDCXCTJYMRV-LSDHHAIUSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNCc1nccn1C ZINC001568533287 1064944038 /nfs/dbraw/zinc/94/40/38/1064944038.db2.gz PDLYVCJHQDDAKR-ZIAGYGMSSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CSCc1cccnc1 ZINC001568551922 1064960072 /nfs/dbraw/zinc/96/00/72/1064960072.db2.gz YHUZMCDQDMPIBS-UHFFFAOYSA-N 0 3 307.463 2.281 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CCNCc2ccccc2C#N)on1 ZINC001568606806 1064984854 /nfs/dbraw/zinc/98/48/54/1064984854.db2.gz VHDRXGOCBPFNCZ-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCNCc2cc(C)n(C)n2)cc1 ZINC001568662537 1065029149 /nfs/dbraw/zinc/02/91/49/1065029149.db2.gz VBSDHZRJFRKNMB-AWEZNQCLSA-N 0 3 324.428 2.008 20 30 DEEDHN CC#CCNCCN(CC)C(=O)CCc1ccc(OC)cc1 ZINC001568796250 1065123151 /nfs/dbraw/zinc/12/31/51/1065123151.db2.gz NBVLLJDKPHNPJX-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620652497 1078166544 /nfs/dbraw/zinc/16/65/44/1078166544.db2.gz QPEAKBYDZVDDLP-CQSZACIVSA-N 0 3 301.346 2.411 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1cncc2ccccc21 ZINC001568866229 1065164819 /nfs/dbraw/zinc/16/48/19/1065164819.db2.gz RSRSYICAIFQFMU-VOTSOKGWSA-N 0 3 307.397 2.063 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001568967629 1065219754 /nfs/dbraw/zinc/21/97/54/1065219754.db2.gz RQJYBKHGNFASTI-MWWKQMNYSA-N 0 3 314.429 2.159 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cc(C)cc(Cl)c1 ZINC001569069407 1065269645 /nfs/dbraw/zinc/26/96/45/1065269645.db2.gz CJLUNCCRUVHRHX-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1c(C)cccc1C ZINC001496166784 1065314831 /nfs/dbraw/zinc/31/48/31/1065314831.db2.gz BBEYYFRDVZCCNA-MRXNPFEDSA-N 0 3 302.418 2.003 20 30 DEEDHN Cc1cncc(CNC[C@@H](NC(=O)C#CC(C)(C)C)C2CC2)c1 ZINC001569303130 1065417572 /nfs/dbraw/zinc/41/75/72/1065417572.db2.gz JOHMSDILPBLLNW-QGZVFWFLSA-N 0 3 313.445 2.424 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CNCc2ccnn2C)C2CC2)CC1 ZINC001569318021 1065425310 /nfs/dbraw/zinc/42/53/10/1065425310.db2.gz JGCJHCQCXJVROW-QGZVFWFLSA-N 0 3 316.449 2.151 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](CNC(=O)C(C)C)C(C)C ZINC001496525260 1065535770 /nfs/dbraw/zinc/53/57/70/1065535770.db2.gz FZQBVDOPQIHIBB-MRXNPFEDSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001569521440 1065564330 /nfs/dbraw/zinc/56/43/30/1065564330.db2.gz HPMZDIPKIIRZOF-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc2n(n1)CCCC2)C(C)C ZINC001496568722 1065568709 /nfs/dbraw/zinc/56/87/09/1065568709.db2.gz DEYJRDIHNIXBAA-OAHLLOKOSA-N 0 3 324.856 2.316 20 30 DEEDHN C#CCN(C(=O)[C@H](C)C1CCC1)C1CCN(CCOCC)CC1 ZINC001569589066 1065610579 /nfs/dbraw/zinc/61/05/79/1065610579.db2.gz YEMKLAFTHULIEP-MRXNPFEDSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001569647050 1065646839 /nfs/dbraw/zinc/64/68/39/1065646839.db2.gz XVASKUVKBBGEJX-SFHVURJKSA-N 0 3 312.417 2.262 20 30 DEEDHN Cc1oncc1CN1CCC(C)(CNC(=O)C#CC(C)C)CC1 ZINC001569700411 1065678802 /nfs/dbraw/zinc/67/88/02/1065678802.db2.gz ZFCYUPTVVTVQHO-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)Cc2c(C)noc2C)C1 ZINC001569725744 1065692534 /nfs/dbraw/zinc/69/25/34/1065692534.db2.gz GJROMLKHHHRLMR-SFHVURJKSA-N 0 3 317.433 2.076 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@]1(F)CCOC1)c1ccccc1CC ZINC001569801933 1065725137 /nfs/dbraw/zinc/72/51/37/1065725137.db2.gz KWQQQAFSZXNGOL-AEFFLSMTSA-N 0 3 320.408 2.311 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cncn1C)c1ccccc1CC ZINC001569801979 1065726747 /nfs/dbraw/zinc/72/67/47/1065726747.db2.gz LULMRTHISNEIQF-KRWDZBQOSA-N 0 3 324.428 2.067 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2ocnc2C)C1 ZINC001496856395 1065760147 /nfs/dbraw/zinc/76/01/47/1065760147.db2.gz DDECQUMXOFDZRT-CVEARBPZSA-N 0 3 315.417 2.209 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCC[C@@H]1NC(=O)C#CC1CC1 ZINC001496888405 1065779640 /nfs/dbraw/zinc/77/96/40/1065779640.db2.gz PJGAPZDAFDHVIP-MOPGFXCFSA-N 0 3 321.424 2.346 20 30 DEEDHN C=C(Br)CNCC[C@H]1CCN(C(=O)C(C)C)C1 ZINC001569966058 1065844067 /nfs/dbraw/zinc/84/40/67/1065844067.db2.gz VSCARJPOPRHLQW-LBPRGKRZSA-N 0 3 303.244 2.379 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(COC)CC2)cc1 ZINC001570031435 1065894956 /nfs/dbraw/zinc/89/49/56/1065894956.db2.gz OYVQXWIHSHNHRG-HNNXBMFYSA-N 0 3 314.429 2.403 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001570039253 1065898088 /nfs/dbraw/zinc/89/80/88/1065898088.db2.gz IYJYBRVXSSPAGP-SHTZXODSSA-N 0 3 303.406 2.099 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H]2CCO[C@@H](CCC)C2)CCC1 ZINC001570122255 1065933499 /nfs/dbraw/zinc/93/34/99/1065933499.db2.gz GGUMBCQEHDMRLO-HOTGVXAUSA-N 0 3 306.450 2.234 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC#CCOC)CC2)CCC1 ZINC001570183007 1065961121 /nfs/dbraw/zinc/96/11/21/1065961121.db2.gz ARCIYSWTQWVEHT-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1ccc2cccnc2c1 ZINC001570198602 1065968960 /nfs/dbraw/zinc/96/89/60/1065968960.db2.gz FBDNEAVLVCDSBG-UHFFFAOYSA-N 0 3 309.413 2.191 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](OCC)c1ccccc1 ZINC001570217822 1065977279 /nfs/dbraw/zinc/97/72/79/1065977279.db2.gz BNIDGWCHNIMKQF-QGZVFWFLSA-N 0 3 302.418 2.178 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(CC)nnc1C ZINC001497239640 1065981283 /nfs/dbraw/zinc/98/12/83/1065981283.db2.gz ZJSKYQQRZPEJRO-NSHDSACASA-N 0 3 310.829 2.198 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CCNCc2nccnc2C)cc1 ZINC001497240258 1065982965 /nfs/dbraw/zinc/98/29/65/1065982965.db2.gz KXIBZMCUUYYXII-CQSZACIVSA-N 0 3 322.412 2.065 20 30 DEEDHN C=C[C@H](O)C(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001627552982 1078278571 /nfs/dbraw/zinc/27/85/71/1078278571.db2.gz FIERVMAGFWOCTI-ROUUACIJSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCN1Cc2ccc(CNC(=O)[C@H](CC)N(C)C)cc2C1 ZINC001570313754 1066014538 /nfs/dbraw/zinc/01/45/38/1066014538.db2.gz JMSINKGVNNDQEY-KRWDZBQOSA-N 0 3 301.434 2.145 20 30 DEEDHN Cc1cc(C(=O)N2C[C@H](NCC#Cc3ccccc3)[C@@H](C)C2)no1 ZINC001570332460 1066016769 /nfs/dbraw/zinc/01/67/69/1066016769.db2.gz KZTUJZWJNBOYQP-KSSFIOAISA-N 0 3 323.396 2.085 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2c(C)nsc2C)C1 ZINC001570338430 1066019545 /nfs/dbraw/zinc/01/95/45/1066019545.db2.gz DCCKOPFTNJCQFS-WBMJQRKESA-N 0 3 319.474 2.500 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)c1cc[nH]c1 ZINC001497388751 1066067107 /nfs/dbraw/zinc/06/71/07/1066067107.db2.gz NJQRYHBWLWVHDI-UHFFFAOYSA-N 0 3 302.403 2.200 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cnn(C2CCCCC2)c1 ZINC001497483304 1066111791 /nfs/dbraw/zinc/11/17/91/1066111791.db2.gz WBOYKIIBLDELNZ-UHFFFAOYSA-N 0 3 316.449 2.463 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C\CNCc1ccc(Cl)cc1 ZINC001497575204 1066145553 /nfs/dbraw/zinc/14/55/53/1066145553.db2.gz 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ZINC001498266166 1066604773 /nfs/dbraw/zinc/60/47/73/1066604773.db2.gz KHJHIVCDROAXKB-KSSFIOAISA-N 0 3 322.424 2.132 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)[C@H]1c1ccccc1 ZINC001576763598 1066682905 /nfs/dbraw/zinc/68/29/05/1066682905.db2.gz VQJZZJBZESMSNE-XQSLCKHSSA-N 0 3 309.413 2.345 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2ccccc2oc1=O ZINC001498446756 1066709973 /nfs/dbraw/zinc/70/99/73/1066709973.db2.gz XKLBPPZRTZHQBG-LBPRGKRZSA-N 0 3 300.358 2.029 20 30 DEEDHN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)[C@@H](N)CCCCC#N ZINC001576915011 1066722643 /nfs/dbraw/zinc/72/26/43/1066722643.db2.gz RUKWJYXFNSOLSV-NEPJUHHUSA-N 0 3 308.813 2.456 20 30 DEEDHN CC#CCCCC(=O)N(C)CCCNCc1oc(C)nc1C ZINC001498598338 1066796172 /nfs/dbraw/zinc/79/61/72/1066796172.db2.gz XLTXYROTUZQQOF-UHFFFAOYSA-N 0 3 305.422 2.423 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(C)C(=O)C(C)(C)N(C)CC)C1 ZINC001577358930 1066823481 /nfs/dbraw/zinc/82/34/81/1066823481.db2.gz DYGXERWTRVIXKG-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CCC[C@]1(C(=O)OCC)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC001577371819 1066827206 /nfs/dbraw/zinc/82/72/06/1066827206.db2.gz OHYMIGNNSMQPQZ-WMLDXEAASA-N 0 3 323.437 2.122 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001369223256 1148873097 /nfs/dbraw/zinc/87/30/97/1148873097.db2.gz GRMCBUTUQKDBJF-NSHDSACASA-N 0 3 302.403 2.198 20 30 DEEDHN CC1(C)C[C@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001499201138 1067140249 /nfs/dbraw/zinc/14/02/49/1067140249.db2.gz LUKQXWYFFQBETH-AWEZNQCLSA-N 0 3 315.392 2.482 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C)nn2C(CC)CC)CC1 ZINC001499272982 1067164724 /nfs/dbraw/zinc/16/47/24/1067164724.db2.gz UHKQHZSJDMXGIJ-UHFFFAOYSA-N 0 3 316.449 2.428 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001578942330 1067207200 /nfs/dbraw/zinc/20/72/00/1067207200.db2.gz ZKFNDSNRSPCYNY-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(C)nc2OCCC)CC1 ZINC001499405242 1067209609 /nfs/dbraw/zinc/20/96/09/1067209609.db2.gz UUFIROMGJFMUPN-UHFFFAOYSA-N 0 3 315.417 2.054 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cccc(OCCC)c2)CC1 ZINC001499415321 1067213156 /nfs/dbraw/zinc/21/31/56/1067213156.db2.gz JRSRHUORENJGHQ-UHFFFAOYSA-N 0 3 314.429 2.280 20 30 DEEDHN C/C=C(/C)C(=O)N1CCCC[C@@H]1[C@@H]1CCN(CC#CCOC)C1 ZINC001499481251 1067235202 /nfs/dbraw/zinc/23/52/02/1067235202.db2.gz NGNPJAMGEFXJCZ-FGNAHPJWSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cnns2)C[C@H]1C ZINC001499824591 1067347966 /nfs/dbraw/zinc/34/79/66/1067347966.db2.gz OYQNWEOUXMZMST-KGLIPLIRSA-N 0 3 320.462 2.201 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2ccn(C(C)C)n2)C1 ZINC001267031981 1078516428 /nfs/dbraw/zinc/51/64/28/1078516428.db2.gz CEUOXTODTVNQJY-OAHLLOKOSA-N 0 3 304.438 2.368 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001579648564 1067395162 /nfs/dbraw/zinc/39/51/62/1067395162.db2.gz MWFWBPIPLFZFMW-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN Cn1ncc(NC(=O)[C@H](N)CCCCC#N)c1-c1ccccc1 ZINC001580009081 1067471725 /nfs/dbraw/zinc/47/17/25/1067471725.db2.gz DPKGABBUQJOYCE-CQSZACIVSA-N 0 3 311.389 2.437 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(-c3cn[nH]c3)c1)C2 ZINC001580042786 1067479482 /nfs/dbraw/zinc/47/94/82/1067479482.db2.gz BNGNIOAWHKDEOD-DBQDNQAGSA-N 0 3 321.384 2.155 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001267055442 1078532256 /nfs/dbraw/zinc/53/22/56/1078532256.db2.gz NERUOKPJICUHEV-CHWSQXEVSA-N 0 3 308.451 2.079 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](CNCc2oc(C)nc2C)C1 ZINC001267054519 1078532639 /nfs/dbraw/zinc/53/26/39/1078532639.db2.gz DMGGAFHDAQUSNF-MRXNPFEDSA-N 0 3 317.433 2.423 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001483545115 1078589524 /nfs/dbraw/zinc/58/95/24/1078589524.db2.gz KQZDLRBMGQHLGR-YOEHRIQHSA-N 0 3 316.470 2.274 20 30 DEEDHN C[C@@H](CCNC(=O)C(=O)C(C)(C)C)NCc1ccccc1C#N ZINC001267122393 1078598933 /nfs/dbraw/zinc/59/89/33/1078598933.db2.gz IXYIZUVHDNVIBB-ZDUSSCGKSA-N 0 3 315.417 2.158 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccccc1OC ZINC001570545402 1067999640 /nfs/dbraw/zinc/99/96/40/1067999640.db2.gz RNAIYHGGEVZEGF-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C=C1CCC1 ZINC001570596013 1068027555 /nfs/dbraw/zinc/02/75/55/1068027555.db2.gz NRZNOSCSNUJOOK-LSDHHAIUSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC(=O)Nc1ccccc1 ZINC001570624038 1068042273 /nfs/dbraw/zinc/04/22/73/1068042273.db2.gz IDRQTEHETWPFPZ-KGLIPLIRSA-N 0 3 317.433 2.320 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1ncccn1 ZINC001267177217 1078641924 /nfs/dbraw/zinc/64/19/24/1078641924.db2.gz RBQVLIHHDAHWCO-ZDUSSCGKSA-N 0 3 308.813 2.204 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001570752252 1068109324 /nfs/dbraw/zinc/10/93/24/1068109324.db2.gz VYBLXNJHUWNKEQ-LSDHHAIUSA-N 0 3 304.434 2.496 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)C1(c2ccccc2OC)CC1 ZINC001570753370 1068109343 /nfs/dbraw/zinc/10/93/43/1068109343.db2.gz IGQLZFGAHIZBBZ-CQSZACIVSA-N 0 3 302.418 2.349 20 30 DEEDHN C[C@H]1CCCC[C@@H]1OCCN(C)CCNC(=O)C#CC1CC1 ZINC001267194770 1078657472 /nfs/dbraw/zinc/65/74/72/1078657472.db2.gz XVDYABAETIFBPM-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(C)=CC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001570911420 1068158848 /nfs/dbraw/zinc/15/88/48/1068158848.db2.gz HPOPCYLWSSDYPZ-NNZMDNLPSA-N 0 3 309.413 2.318 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001510746315 1068189610 /nfs/dbraw/zinc/18/96/10/1068189610.db2.gz MSUNNYDYHBTRCB-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1cnc(CNCCC[C@@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001571253166 1068203247 /nfs/dbraw/zinc/20/32/47/1068203247.db2.gz FXHMGPGXGQJHLZ-CQSZACIVSA-N 0 3 316.449 2.209 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2ccc3ccccc32)C1 ZINC001571493519 1068351467 /nfs/dbraw/zinc/35/14/67/1068351467.db2.gz RVUQLEVXFZDIQV-NVXWUHKLSA-N 0 3 309.413 2.244 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001649447446 1078699950 /nfs/dbraw/zinc/69/99/50/1078699950.db2.gz BGSXDDRRUJLYGR-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N[C@H](CNC(=O)CN1CCC[C@@H]1C)C(C)(C)C ZINC001511770522 1068380700 /nfs/dbraw/zinc/38/07/00/1068380700.db2.gz XXBPJJRVQUQKTD-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC001571562432 1068421499 /nfs/dbraw/zinc/42/14/99/1068421499.db2.gz OYALJUYIVNNHKT-HOCLYGCPSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001571607322 1068435992 /nfs/dbraw/zinc/43/59/92/1068435992.db2.gz HWCSKRRNTQJFJQ-KRWDZBQOSA-N 0 3 318.461 2.210 20 30 DEEDHN C#CCCN(C)CCN(C(=O)Cc1cc(C2CC2)no1)C(C)C ZINC001571612803 1068439504 /nfs/dbraw/zinc/43/95/04/1068439504.db2.gz ZDRUNKUIIVVJEE-UHFFFAOYSA-N 0 3 317.433 2.287 20 30 DEEDHN CC(C)C#CC(=O)N(CCN(C)C[C@H]1CC[C@@H](C)O1)C(C)C ZINC001571611868 1068439701 /nfs/dbraw/zinc/43/97/01/1068439701.db2.gz PGXCVOCEXLDGEM-IAGOWNOFSA-N 0 3 308.466 2.382 20 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DWTJCYUDYDZSBU-UHFFFAOYSA-N 0 3 314.389 2.060 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(-c2c[nH]cn2)cc1)C1CC1 ZINC001267335865 1078774057 /nfs/dbraw/zinc/77/40/57/1078774057.db2.gz DIHUGBFCGZQDCY-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c2ccccc2nn1C)C1CC1 ZINC001267336121 1078774141 /nfs/dbraw/zinc/77/41/41/1078774141.db2.gz JJPHAQCTBUYZFT-UHFFFAOYSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC001514884920 1068798565 /nfs/dbraw/zinc/79/85/65/1068798565.db2.gz UZBATRPRXPAWSB-ZWKOTPCHSA-N 0 3 315.461 2.403 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ncccc1Br ZINC001515654585 1068891197 /nfs/dbraw/zinc/89/11/97/1068891197.db2.gz IHRDOLPZEUAIFR-LLVKDONJSA-N 0 3 312.211 2.144 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1cscn1)c1ccccc1 ZINC001267377106 1078807481 /nfs/dbraw/zinc/80/74/81/1078807481.db2.gz LTAJYPZHROHQRD-OAHLLOKOSA-N 0 3 301.415 2.319 20 30 DEEDHN COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2cccc(F)n2)c1C ZINC001516710095 1068938277 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C=CCOCCN1CC[C@H](NC(=O)c2ccncc2Cl)[C@H]1C ZINC001566104233 1075229445 /nfs/dbraw/zinc/22/94/45/1075229445.db2.gz PKFSFDZQSVRERJ-DOMZBBRYSA-N 0 3 323.824 2.130 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1ncoc1C ZINC001566119636 1075231568 /nfs/dbraw/zinc/23/15/68/1075231568.db2.gz MIIYPWTWNXQREJ-HNNXBMFYSA-N 0 3 321.421 2.112 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)Oc1ccccc1F ZINC001566508330 1075265234 /nfs/dbraw/zinc/26/52/34/1075265234.db2.gz AEPGVRAOCHGRRI-MRXNPFEDSA-N 0 3 320.408 2.445 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc2[nH]cnc21)C1CC1 ZINC001566600210 1075294357 /nfs/dbraw/zinc/29/43/57/1075294357.db2.gz RNIXOHCSDYQFHR-UHFFFAOYSA-N 0 3 310.401 2.171 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001566664937 1075309714 /nfs/dbraw/zinc/30/97/14/1075309714.db2.gz GIPAMGGSCRQTBH-CQSZACIVSA-N 0 3 320.437 2.050 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)[nH]c1=O ZINC001566755674 1075337333 /nfs/dbraw/zinc/33/73/33/1075337333.db2.gz OWJQXFQKAXLLAH-GASCZTMLSA-N 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C=C(C)CN(C)CCNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001567283754 1075487628 /nfs/dbraw/zinc/48/76/28/1075487628.db2.gz JQMOTFQZRSFSLA-UHFFFAOYSA-N 0 3 303.406 2.191 20 30 DEEDHN Cc1cccnc1[C@@H](C)NC[C@@H](O)CC1(C#N)CCOCC1 ZINC001650156805 1079426708 /nfs/dbraw/zinc/42/67/08/1079426708.db2.gz UKHRNBHSNGKVGY-CABCVRRESA-N 0 3 303.406 2.112 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)OCc2ccncc2)C1 ZINC001267772205 1079480287 /nfs/dbraw/zinc/48/02/87/1079480287.db2.gz TZSNVZZFFYHAKZ-DOTOQJQBSA-N 0 3 317.433 2.096 20 30 DEEDHN C=CCCC(=O)N(CC)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001581092713 1076042280 /nfs/dbraw/zinc/04/22/80/1076042280.db2.gz JDSHYMGGRKMQKH-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588426532 1076447135 /nfs/dbraw/zinc/44/71/35/1076447135.db2.gz YDUOROKGZSJVPQ-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588426532 1076447138 /nfs/dbraw/zinc/44/71/38/1076447138.db2.gz YDUOROKGZSJVPQ-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588426532 1076447141 /nfs/dbraw/zinc/44/71/41/1076447141.db2.gz YDUOROKGZSJVPQ-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588426532 1076447144 /nfs/dbraw/zinc/44/71/44/1076447144.db2.gz YDUOROKGZSJVPQ-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)CC[N@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588419812 1076447860 /nfs/dbraw/zinc/44/78/60/1076447860.db2.gz UNJJOEDXXPBLJU-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=C(C)CC[N@@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588419812 1076447863 /nfs/dbraw/zinc/44/78/63/1076447863.db2.gz UNJJOEDXXPBLJU-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=C(C)CC[N@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588419812 1076447867 /nfs/dbraw/zinc/44/78/67/1076447867.db2.gz UNJJOEDXXPBLJU-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=C(C)CC[N@@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588419812 1076447870 /nfs/dbraw/zinc/44/78/70/1076447870.db2.gz UNJJOEDXXPBLJU-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)COC ZINC001588635839 1076459264 /nfs/dbraw/zinc/45/92/64/1076459264.db2.gz YCWBWRQAYKXXSS-NSHDSACASA-N 0 3 305.357 2.029 20 30 DEEDHN C=CC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)COC ZINC001588635839 1076459268 /nfs/dbraw/zinc/45/92/68/1076459268.db2.gz YCWBWRQAYKXXSS-NSHDSACASA-N 0 3 305.357 2.029 20 30 DEEDHN C=CC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)COC ZINC001588635839 1076459271 /nfs/dbraw/zinc/45/92/71/1076459271.db2.gz YCWBWRQAYKXXSS-NSHDSACASA-N 0 3 305.357 2.029 20 30 DEEDHN C=CC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)COC ZINC001588635839 1076459274 /nfs/dbraw/zinc/45/92/74/1076459274.db2.gz YCWBWRQAYKXXSS-NSHDSACASA-N 0 3 305.357 2.029 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(OC)CCC1 ZINC001588649012 1076459736 /nfs/dbraw/zinc/45/97/36/1076459736.db2.gz SWUYGIADVLLMPY-UHFFFAOYSA-N 0 3 313.405 2.424 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(OC)CCC1 ZINC001588649012 1076459738 /nfs/dbraw/zinc/45/97/38/1076459738.db2.gz SWUYGIADVLLMPY-UHFFFAOYSA-N 0 3 313.405 2.424 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(OC)CCC1 ZINC001588649012 1076459742 /nfs/dbraw/zinc/45/97/42/1076459742.db2.gz SWUYGIADVLLMPY-UHFFFAOYSA-N 0 3 313.405 2.424 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(OC)CCC1 ZINC001588649012 1076459744 /nfs/dbraw/zinc/45/97/44/1076459744.db2.gz SWUYGIADVLLMPY-UHFFFAOYSA-N 0 3 313.405 2.424 20 30 DEEDHN C=CC[N@H+](CCc1ccco1)Cc1cccc(-c2nnn[n-]2)n1 ZINC001588635861 1076459914 /nfs/dbraw/zinc/45/99/14/1076459914.db2.gz ZFFFVVRXFXGNSF-UHFFFAOYSA-N 0 3 310.361 2.085 20 30 DEEDHN C=CC[N@@H+](CCc1ccco1)Cc1cccc(-c2nnn[n-]2)n1 ZINC001588635861 1076459919 /nfs/dbraw/zinc/45/99/19/1076459919.db2.gz ZFFFVVRXFXGNSF-UHFFFAOYSA-N 0 3 310.361 2.085 20 30 DEEDHN C=CCOCCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588683131 1076460676 /nfs/dbraw/zinc/46/06/76/1076460676.db2.gz YFJBXLQBDMQVIH-NSHDSACASA-N 0 3 305.357 2.249 20 30 DEEDHN C=CCOCCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588683131 1076460681 /nfs/dbraw/zinc/46/06/81/1076460681.db2.gz YFJBXLQBDMQVIH-NSHDSACASA-N 0 3 305.357 2.249 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnco1)c1ccccc1CC ZINC001484322239 1079538557 /nfs/dbraw/zinc/53/85/57/1079538557.db2.gz CHCJGRLOPCMXJT-MRXNPFEDSA-N 0 3 311.385 2.321 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2nccn2C)C1 ZINC001484338635 1079548479 /nfs/dbraw/zinc/54/84/79/1079548479.db2.gz MEOJULURARDEJQ-LSDHHAIUSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCN[C@H](C)C(=O)NCCCC)CC1 ZINC001481277636 1079561749 /nfs/dbraw/zinc/56/17/49/1079561749.db2.gz RZEAQTYRPVOHFD-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)CCCCC)C2)nn1 ZINC001105157887 1079573007 /nfs/dbraw/zinc/57/30/07/1079573007.db2.gz ZOPAFMVRSHVLJB-UHFFFAOYSA-N 0 3 319.453 2.298 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H](C)n1cccn1 ZINC001484401141 1079593003 /nfs/dbraw/zinc/59/30/03/1079593003.db2.gz GPRMZEUVWCYCGK-KRWDZBQOSA-N 0 3 324.428 2.086 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CN(Cc3ocnc3C)C[C@H]2C1 ZINC001484410612 1079596747 /nfs/dbraw/zinc/59/67/47/1079596747.db2.gz ITTVRSBEKXGNGZ-OAGGEKHMSA-N 0 3 317.433 2.476 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)c1conc1C1CC1 ZINC001481281039 1079610041 /nfs/dbraw/zinc/61/00/41/1079610041.db2.gz YMXWYFSEYNVSJJ-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001484448970 1079619331 /nfs/dbraw/zinc/61/93/31/1079619331.db2.gz BJNOWZCNGMXFSG-APWZRJJASA-N 0 3 320.477 2.169 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)COCC2CC2)cc1 ZINC001484559752 1079659689 /nfs/dbraw/zinc/65/96/89/1079659689.db2.gz KPNFOXFTCPKMGH-HNNXBMFYSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H](C)COC)cc1 ZINC001484563536 1079662605 /nfs/dbraw/zinc/66/26/05/1079662605.db2.gz PLMSPOJJCSBCHV-LSDHHAIUSA-N 0 3 302.418 2.259 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccsc2COC)C1 ZINC001283993998 1079666769 /nfs/dbraw/zinc/66/67/69/1079666769.db2.gz CCGOBNWPBOCBMP-QWHCGFSZSA-N 0 3 306.431 2.110 20 30 DEEDHN Cc1nn(C)c(C)c1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001650517348 1079685099 /nfs/dbraw/zinc/68/50/99/1079685099.db2.gz AAZLKTRSAHIRHV-LBPRGKRZSA-N 0 3 304.300 2.129 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc3c(cccc3OC)[nH]2)CCC1 ZINC001484662633 1079717245 /nfs/dbraw/zinc/71/72/45/1079717245.db2.gz OLAZGHMXQUIEEL-UHFFFAOYSA-N 0 3 311.385 2.052 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@@H](C)CC(C)(C)C)CCO1 ZINC001484690806 1079724773 /nfs/dbraw/zinc/72/47/73/1079724773.db2.gz QWBVGKHOJJPOHO-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@@]1(C)CCCOC1)c1ccccc1 ZINC001481371862 1079763606 /nfs/dbraw/zinc/76/36/06/1079763606.db2.gz BEEPZQGXPXDQGT-HKUYNNGSSA-N 0 3 314.429 2.274 20 30 DEEDHN CCC1(NCc2nc(C)oc2C)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001484810296 1079802962 /nfs/dbraw/zinc/80/29/62/1079802962.db2.gz SIMYGCFIPSZVCC-LBPRGKRZSA-N 0 3 318.421 2.312 20 30 DEEDHN Cc1cccnc1CNC1(CNC(=O)C#CC2CC2)CCCC1 ZINC001268036426 1079869381 /nfs/dbraw/zinc/86/93/81/1079869381.db2.gz UVXJJDBUVRUXJV-UHFFFAOYSA-N 0 3 311.429 2.322 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(N[C@H](C)c2n[nH]c(C)n2)CCCC1 ZINC001268038319 1079877196 /nfs/dbraw/zinc/87/71/96/1079877196.db2.gz QLVVFAHVTGBWMG-GFCCVEGCSA-N 0 3 319.453 2.405 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001485021339 1079916417 /nfs/dbraw/zinc/91/64/17/1079916417.db2.gz YYXJPCJVRWVZOJ-IAGOWNOFSA-N 0 3 320.477 2.169 20 30 DEEDHN CC#CCN1CCN(CCCCCNC(=O)CC2CCC2)CC1 ZINC001485010028 1079916785 /nfs/dbraw/zinc/91/67/85/1079916785.db2.gz SNDMVTOHPRLVLV-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN C#CCOCCN1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001653542100 1079932295 /nfs/dbraw/zinc/93/22/95/1079932295.db2.gz JGDDRAFXBVDCQL-SJORKVTESA-N 0 3 322.449 2.359 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)C(F)(F)F ZINC001672531522 1079950732 /nfs/dbraw/zinc/95/07/32/1079950732.db2.gz WHPPGPQTLNTNKK-RWMBFGLXSA-N 0 3 302.340 2.273 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](C)NC(=O)CC1CC1 ZINC001485113920 1079980805 /nfs/dbraw/zinc/98/08/05/1079980805.db2.gz IVSBJNHPEHPMAQ-QWHCGFSZSA-N 0 3 315.417 2.350 20 30 DEEDHN C=CCC[C@@H]1CCCN1CC(=O)NC1(C(=O)OC)CCCCC1 ZINC001654998540 1079983758 /nfs/dbraw/zinc/98/37/58/1079983758.db2.gz BSNDVEFNSJFLGZ-OAHLLOKOSA-N 0 3 322.449 2.409 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1cnc(C)nc1 ZINC001485151005 1080017190 /nfs/dbraw/zinc/01/71/90/1080017190.db2.gz AVYJZTCVXTYKDG-STQMWFEESA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001656097210 1080041642 /nfs/dbraw/zinc/04/16/42/1080041642.db2.gz IQOHIYLZPGCPKX-OAHLLOKOSA-N 0 3 314.433 2.467 20 30 DEEDHN CCc1nc[nH]c1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001268096293 1080068931 /nfs/dbraw/zinc/06/89/31/1080068931.db2.gz NRHLWAZQVMGCLT-HNNXBMFYSA-N 0 3 324.428 2.074 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)C(=C)C)n1 ZINC001656643148 1080108794 /nfs/dbraw/zinc/10/87/94/1080108794.db2.gz LHTVVPJNYQPICO-UHFFFAOYSA-N 0 3 318.421 2.066 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001268150802 1080123450 /nfs/dbraw/zinc/12/34/50/1080123450.db2.gz JTKLXOAQAPHDFS-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC001656784480 1080124989 /nfs/dbraw/zinc/12/49/89/1080124989.db2.gz RPPRJNCKUHUKPR-GFCCVEGCSA-N 0 3 322.371 2.046 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCOc2ccccc2OC)[C@H]1C ZINC001657033088 1080148148 /nfs/dbraw/zinc/14/81/48/1080148148.db2.gz KMCHZXHKFJDGNO-CABCVRRESA-N 0 3 318.417 2.229 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCNC(=O)CC(C)C ZINC001657083259 1080153925 /nfs/dbraw/zinc/15/39/25/1080153925.db2.gz VWZYUQXBAYWIAC-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2ccc(C)c(C)c2)CC1 ZINC001670792859 1080157648 /nfs/dbraw/zinc/15/76/48/1080157648.db2.gz BZURVHZNCWOKIP-UHFFFAOYSA-N 0 3 314.429 2.334 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001485345348 1080157737 /nfs/dbraw/zinc/15/77/37/1080157737.db2.gz MFGMSCUVSRIXRT-LBPRGKRZSA-N 0 3 301.390 2.413 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001485391648 1080189877 /nfs/dbraw/zinc/18/98/77/1080189877.db2.gz YADUOPDGIVSUFX-NSHDSACASA-N 0 3 307.369 2.020 20 30 DEEDHN Cc1conc1CN[C@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C ZINC001485430245 1080211891 /nfs/dbraw/zinc/21/18/91/1080211891.db2.gz ZXRXAWOWDPLTHW-TZMCWYRMSA-N 0 3 306.410 2.105 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001268232522 1080212205 /nfs/dbraw/zinc/21/22/05/1080212205.db2.gz LUBATMRJGVMHSI-KRWDZBQOSA-N 0 3 320.408 2.406 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(C[C@H](C)O)C2)CCCCC1 ZINC001268237221 1080218326 /nfs/dbraw/zinc/21/83/26/1080218326.db2.gz ZKBGIRTWLKCEPA-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](CC)c1c(C)noc1C ZINC001268253501 1080232587 /nfs/dbraw/zinc/23/25/87/1080232587.db2.gz UFSKWABPBYONNC-OAHLLOKOSA-N 0 3 305.422 2.199 20 30 DEEDHN C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)CN1Cc1ccccc1 ZINC001659569316 1080243483 /nfs/dbraw/zinc/24/34/83/1080243483.db2.gz SPSLMHZBSURCSR-PVAVHDDUSA-N 0 3 317.433 2.009 20 30 DEEDHN C[C@@H](NC(=O)CSCC#N)C1CN([C@@H](C)c2ccccc2)C1 ZINC001485492143 1080251298 /nfs/dbraw/zinc/25/12/98/1080251298.db2.gz VYPGFIJCOGYBPY-KGLIPLIRSA-N 0 3 317.458 2.441 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1nccn1C ZINC001268286972 1080268012 /nfs/dbraw/zinc/26/80/12/1080268012.db2.gz NJRSXFYXEXYMEE-LSDHHAIUSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001485520795 1080279248 /nfs/dbraw/zinc/27/92/48/1080279248.db2.gz SGTILCRHAIAZMH-JKSUJKDBSA-N 0 3 306.450 2.372 20 30 DEEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1nonc1C ZINC001481680297 1080294351 /nfs/dbraw/zinc/29/43/51/1080294351.db2.gz VXBIKHHBLZJFIO-GJZGRUSLSA-N 0 3 320.437 2.176 20 30 DEEDHN C=CC1(CC(=O)NC[C@H](O)CNC/C=C\Cl)CCCCC1 ZINC001268327866 1080329576 /nfs/dbraw/zinc/32/95/76/1080329576.db2.gz KVPGEUUUQTXPCH-DEBLGDTFSA-N 0 3 314.857 2.332 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3cncc(C)c3)C[C@H]21 ZINC001485611633 1080332256 /nfs/dbraw/zinc/33/22/56/1080332256.db2.gz JJCIVPSIOZFQGL-OSYLJGHBSA-N 0 3 313.445 2.396 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CSCCC)C[C@]2(C)C1 ZINC001485666301 1080355226 /nfs/dbraw/zinc/35/52/26/1080355226.db2.gz LHEYSQYTHLQOHJ-CALCHBBNSA-N 0 3 308.491 2.323 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(C)noc1C(F)F)C1CC1 ZINC001660695300 1080381610 /nfs/dbraw/zinc/38/16/10/1080381610.db2.gz HLIHSSODZFJEGB-UHFFFAOYSA-N 0 3 311.332 2.138 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc(F)c1OCC)C1CC1 ZINC001660738942 1080388648 /nfs/dbraw/zinc/38/86/48/1080388648.db2.gz HKJAPJCFHXAPCG-UHFFFAOYSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(C)nn(CCC)c1C)C1CC1 ZINC001660744813 1080389866 /nfs/dbraw/zinc/38/98/66/1080389866.db2.gz OJMAPZLIQNNDFT-UHFFFAOYSA-N 0 3 316.449 2.127 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccnc(N(C)C)c1 ZINC001485740607 1080402335 /nfs/dbraw/zinc/40/23/35/1080402335.db2.gz QSDMSDCMGGXUON-ZDUSSCGKSA-N 0 3 324.856 2.388 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001660847379 1080407981 /nfs/dbraw/zinc/40/79/81/1080407981.db2.gz GOHUUABCIYQRPM-JKSUJKDBSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001660855970 1080409956 /nfs/dbraw/zinc/40/99/56/1080409956.db2.gz XTSIFJDEUCFSAX-SJORKVTESA-N 0 3 316.449 2.055 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(C)CC(=O)NCCCC)CC1 ZINC001485761736 1080418717 /nfs/dbraw/zinc/41/87/17/1080418717.db2.gz ZPNQRPVFPZCIFE-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)[C@H](C(=O)NCc1ccc([C@H](C)NCC#N)cc1)N(C)C ZINC001272700965 1080441621 /nfs/dbraw/zinc/44/16/21/1080441621.db2.gz RJVHKQGEXDEXDR-WMLDXEAASA-N 0 3 316.449 2.063 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001481755105 1080445265 /nfs/dbraw/zinc/44/52/65/1080445265.db2.gz WNGSWCDCIVMSLM-SJORKVTESA-N 0 3 318.392 2.069 20 30 DEEDHN C#CCCCC(=O)N(CC)CCNCc1cnn(C(C)(C)C)c1 ZINC001268447879 1080473245 /nfs/dbraw/zinc/47/32/45/1080473245.db2.gz JFDXBEWFWSJQKP-UHFFFAOYSA-N 0 3 318.465 2.380 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)COCC2CCCC2)C1 ZINC001481768119 1080485380 /nfs/dbraw/zinc/48/53/80/1080485380.db2.gz LXKKSLPYYUVDQF-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN CCCCC(=O)N1CCC[C@@H]2CN(CC#CCOC)CC[C@@H]21 ZINC001661548190 1080492810 /nfs/dbraw/zinc/49/28/10/1080492810.db2.gz HKVXYGOTIMZULQ-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001661702390 1080509071 /nfs/dbraw/zinc/50/90/71/1080509071.db2.gz ITYKZPNVUQCFRZ-CYBMUJFWSA-N 0 3 323.487 2.333 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2nnc(C)[nH]2)CC1 ZINC001272734111 1080513891 /nfs/dbraw/zinc/51/38/91/1080513891.db2.gz 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/nfs/dbraw/zinc/64/85/30/1080648530.db2.gz XCWHETIZFATPPY-INIZCTEOSA-N 0 3 316.445 2.335 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)CC2CC2)cc1C#N ZINC001268506481 1080674314 /nfs/dbraw/zinc/67/43/14/1080674314.db2.gz PXDWEGKNJCRJDY-NSCUHMNNSA-N 0 3 313.401 2.129 20 30 DEEDHN Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)sc1C ZINC001482012581 1080692369 /nfs/dbraw/zinc/69/23/69/1080692369.db2.gz KLRKTTIHNSBXDT-BPNCWPANSA-N 0 3 320.462 2.437 20 30 DEEDHN CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@H](C)C#N)c1 ZINC001268519931 1080708230 /nfs/dbraw/zinc/70/82/30/1080708230.db2.gz VLMBMHHANVAATF-MBVDDHJVSA-N 0 3 315.417 2.395 20 30 DEEDHN C#Cc1cncc(C(=O)NCCN(C)CCc2cccs2)c1 ZINC001663272166 1080725980 /nfs/dbraw/zinc/72/59/80/1080725980.db2.gz SZOUKPYLABCOJT-UHFFFAOYSA-N 0 3 313.426 2.029 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2c(C)nsc2C)cc1 ZINC001482036638 1080728276 /nfs/dbraw/zinc/72/82/76/1080728276.db2.gz ZBYRXZOOXYEQPY-UHFFFAOYSA-N 0 3 313.426 2.413 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107329056 1080732622 /nfs/dbraw/zinc/73/26/22/1080732622.db2.gz GLRABAHNCYSYIT-QGPMSJSTSA-N 0 3 312.417 2.102 20 30 DEEDHN C=CCN(CC)CCNC(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001663406865 1080742169 /nfs/dbraw/zinc/74/21/69/1080742169.db2.gz ITNNKLQDANYHQK-VXGBXAGGSA-N 0 3 308.344 2.111 20 30 DEEDHN CCC[C@@H]1CCC[C@H]1C(=O)NC/C=C/CNCC#CCOC ZINC001268560208 1080759903 /nfs/dbraw/zinc/75/99/03/1080759903.db2.gz WTMKNHPMLSXPIN-ADDHZHGLSA-N 0 3 306.450 2.115 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN2CCOC(C)C)cc1 ZINC001663512467 1080761413 /nfs/dbraw/zinc/76/14/13/1080761413.db2.gz JQXZFGYQOCKWAM-GOSISDBHSA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCOc1ccccc1F ZINC001663541850 1080770633 /nfs/dbraw/zinc/77/06/33/1080770633.db2.gz FUAGIOUTLFEALZ-CQSZACIVSA-N 0 3 306.381 2.361 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(Cc2ccccn2)C1 ZINC001663566694 1080777480 /nfs/dbraw/zinc/77/74/80/1080777480.db2.gz LELHTNCUAMDDQG-HOTGVXAUSA-N 0 3 317.433 2.001 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001663608609 1080786324 /nfs/dbraw/zinc/78/63/24/1080786324.db2.gz MPUBSCWAULKJIV-HNNXBMFYSA-N 0 3 314.404 2.319 20 30 DEEDHN CCCCC1(C(=O)NC[C@@H]2CCN(CC#CCOC)C2)CC1 ZINC001663619543 1080789725 /nfs/dbraw/zinc/78/97/25/1080789725.db2.gz CAYRGRPMUASPSI-INIZCTEOSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(F)c2ncccc2c1 ZINC001663688144 1080804216 /nfs/dbraw/zinc/80/42/16/1080804216.db2.gz LOGPNSDFWPSGFY-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1CCCN1c1ccccc1)C1CC1 ZINC001663727420 1080809998 /nfs/dbraw/zinc/80/99/98/1080809998.db2.gz NEWFBMRHKYQMOS-GOSISDBHSA-N 0 3 313.445 2.422 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)CC2CCC2)cc1C#N ZINC001663869429 1080829281 /nfs/dbraw/zinc/82/92/81/1080829281.db2.gz IFGPMWJBNZABDU-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1coc(=O)c2ccccc12 ZINC001268741797 1080965316 /nfs/dbraw/zinc/96/53/16/1080965316.db2.gz YMNIAMRZYFUTJD-GFCCVEGCSA-N 0 3 300.358 2.029 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001268746979 1080966990 /nfs/dbraw/zinc/96/69/90/1080966990.db2.gz UFFCTNZPNLCRTC-CQSZACIVSA-N 0 3 315.417 2.421 20 30 DEEDHN C#C[C@@H](CO)N[C@H](C)Cc1ccc(Br)c(F)c1 ZINC001665354348 1081018580 /nfs/dbraw/zinc/01/85/80/1081018580.db2.gz BJBWESRDWKDECM-KOLCDFICSA-N 0 3 300.171 2.103 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cn[nH]c1 ZINC001665417134 1081026169 /nfs/dbraw/zinc/02/61/69/1081026169.db2.gz ZRBRYVUUCFBGRE-IRXDYDNUSA-N 0 3 316.449 2.374 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001665539924 1081038373 /nfs/dbraw/zinc/03/83/73/1081038373.db2.gz NOVOOVDCBZSDCZ-MJGOQNOKSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCOCC(=O)N(C)[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001665617232 1081048543 /nfs/dbraw/zinc/04/85/43/1081048543.db2.gz MWZPEAAASCPYEZ-SFHVURJKSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCC2 ZINC001268943902 1081053224 /nfs/dbraw/zinc/05/32/24/1081053224.db2.gz BJMWCLCWYIEUKO-KKUMJFAQSA-N 0 3 314.433 2.083 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCc2ccccc2OC)C1 ZINC001665681254 1081063644 /nfs/dbraw/zinc/06/36/44/1081063644.db2.gz BAGPMIQJCMYZCJ-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCOC1 ZINC001268970188 1081066830 /nfs/dbraw/zinc/06/68/30/1081066830.db2.gz ZZLCWKROYYWILV-JYJNAYRXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001665715064 1081069311 /nfs/dbraw/zinc/06/93/11/1081069311.db2.gz LVIAJPQZGYMMGW-DOTOQJQBSA-N 0 3 318.465 2.327 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)OCc2ccc(C)cc2)C1 ZINC001269046360 1081096523 /nfs/dbraw/zinc/09/65/23/1081096523.db2.gz HDEAQHONQWGDQO-WMZOPIPTSA-N 0 3 314.429 2.114 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2cnc(OC)nc2)C1 ZINC001269078612 1081110513 /nfs/dbraw/zinc/11/05/13/1081110513.db2.gz KYXWVPLNIJGONY-HNNXBMFYSA-N 0 3 320.437 2.260 20 30 DEEDHN C=CCCCS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001666089352 1081121350 /nfs/dbraw/zinc/12/13/50/1081121350.db2.gz JJJOLZKHZUPPKX-JKSUJKDBSA-N 0 3 314.495 2.477 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001269126392 1081129588 /nfs/dbraw/zinc/12/95/88/1081129588.db2.gz KWFNYRLRSXARDT-GOSISDBHSA-N 0 3 314.429 2.034 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H](OC)[C@@H](C)CC)cc1 ZINC001666337472 1081144832 /nfs/dbraw/zinc/14/48/32/1081144832.db2.gz GOYZQAAKIHVLJC-WMLDXEAASA-N 0 3 302.418 2.087 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccn(C(C)C)n2)cc1 ZINC001666344441 1081146135 /nfs/dbraw/zinc/14/61/35/1081146135.db2.gz JIFYEMYVGPFWSV-UHFFFAOYSA-N 0 3 310.401 2.117 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@@H](CC)C1 ZINC001269169073 1081148914 /nfs/dbraw/zinc/14/89/14/1081148914.db2.gz LNSVOSRVPTXYGZ-LSDHHAIUSA-N 0 3 319.453 2.186 20 30 DEEDHN C=C/C(C)=C\CC(=O)NCCC1CCN(CC#CCOC)CC1 ZINC001666374559 1081149148 /nfs/dbraw/zinc/14/91/48/1081149148.db2.gz CYVAHXLVXJREPX-IDUWFGFVSA-N 0 3 318.461 2.377 20 30 DEEDHN C=CCS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000710887308 1081161883 /nfs/dbraw/zinc/16/18/83/1081161883.db2.gz BUUNFLGQGMTGJS-MRXNPFEDSA-N 0 3 308.447 2.004 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)CN[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001666616271 1081166712 /nfs/dbraw/zinc/16/67/12/1081166712.db2.gz PVXWLWCXYHISRN-STQMWFEESA-N 0 3 319.453 2.262 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001269212186 1081167147 /nfs/dbraw/zinc/16/71/47/1081167147.db2.gz ZRNXAHURUPWBNT-FUHWJXTLSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CCN1CCCC1CCCC1 ZINC001269235774 1081177669 /nfs/dbraw/zinc/17/76/69/1081177669.db2.gz OYBQNGXJTSSICE-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2c(C)nn(C)c2C)C1 ZINC001671658950 1081177937 /nfs/dbraw/zinc/17/79/37/1081177937.db2.gz AUYTYAPHCMYZFV-GOSISDBHSA-N 0 3 318.465 2.126 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001269236257 1081179336 /nfs/dbraw/zinc/17/93/36/1081179336.db2.gz YPRYCQUAJABMRB-INIZCTEOSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001269268146 1081190187 /nfs/dbraw/zinc/19/01/87/1081190187.db2.gz IAXNLLOYKAVZPX-WBVHZDCISA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001269266509 1081190374 /nfs/dbraw/zinc/19/03/74/1081190374.db2.gz DHCKQNDZSOGLFN-IUODEOHRSA-N 0 3 304.438 2.196 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@@H]2OCC)CCCC1 ZINC001482211702 1081192231 /nfs/dbraw/zinc/19/22/31/1081192231.db2.gz MZFRHSOBEVIUFO-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC(C)(C)C ZINC001666914756 1081193753 /nfs/dbraw/zinc/19/37/53/1081193753.db2.gz XNALUIIVCWKTKS-KGLIPLIRSA-N 0 3 311.470 2.082 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001269295700 1081202240 /nfs/dbraw/zinc/20/22/40/1081202240.db2.gz HHTMLFIEXKQDNL-DLBZAZTESA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCC1(C(=O)N(C)[C@@H](C)CNCC#CCOC)CCCCC1 ZINC001667064270 1081208207 /nfs/dbraw/zinc/20/82/07/1081208207.db2.gz VVUSGZUPHYCMTI-KRWDZBQOSA-N 0 3 318.461 2.047 20 30 DEEDHN C#CCC1(C(=O)N(C)[C@H](C)CNCC#CCOC)CCCCC1 ZINC001667064271 1081208228 /nfs/dbraw/zinc/20/82/28/1081208228.db2.gz VVUSGZUPHYCMTI-QGZVFWFLSA-N 0 3 318.461 2.047 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001269326400 1081213475 /nfs/dbraw/zinc/21/34/75/1081213475.db2.gz IZAHQHBIXMEBIT-PBHICJAKSA-N 0 3 316.449 2.452 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccncn1 ZINC001667296060 1081234589 /nfs/dbraw/zinc/23/45/89/1081234589.db2.gz IKWPJPUNMBRLKT-CYBMUJFWSA-N 0 3 308.813 2.204 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1snc(Cl)c1Cl ZINC001667575038 1081265033 /nfs/dbraw/zinc/26/50/33/1081265033.db2.gz PYWKWUUUBQJPCK-UHFFFAOYSA-N 0 3 320.245 2.477 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)CCO[C@H]1CC1(F)F ZINC001667608253 1081267414 /nfs/dbraw/zinc/26/74/14/1081267414.db2.gz YRDDJHVRIUDUCF-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)CCNC(=O)C1CCCCC1 ZINC001667638834 1081270137 /nfs/dbraw/zinc/27/01/37/1081270137.db2.gz VHXYSQWMAHRLDI-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)COCCCC)C2)C1 ZINC001269685761 1081332894 /nfs/dbraw/zinc/33/28/94/1081332894.db2.gz JWRYRBKOPDSFBY-GOSISDBHSA-N 0 3 306.450 2.141 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001269778137 1081365152 /nfs/dbraw/zinc/36/51/52/1081365152.db2.gz OZRQDXSWXUUGMX-ZDUSSCGKSA-N 0 3 308.813 2.061 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCNCc2cncn2C)CC1 ZINC001668546266 1081365898 /nfs/dbraw/zinc/36/58/98/1081365898.db2.gz PAYFATDRYYHZLO-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)[C@@H](OC)C(C)C ZINC001668546576 1081366110 /nfs/dbraw/zinc/36/61/10/1081366110.db2.gz WFZRNCCNWMSZPP-HNNXBMFYSA-N 0 3 323.462 2.229 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC(F)(F)C(F)F)CC2 ZINC001482244609 1081373779 /nfs/dbraw/zinc/37/37/79/1081373779.db2.gz BARNKINGYDOHPA-UHFFFAOYSA-N 0 3 320.330 2.225 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1cccc2c1OCC2(C)C ZINC001668663637 1081378332 /nfs/dbraw/zinc/37/83/32/1081378332.db2.gz FJSBZLOPWRVLEI-UHFFFAOYSA-N 0 3 300.402 2.042 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C\CNCc1ccc(F)c(F)c1 ZINC001668797692 1081398177 /nfs/dbraw/zinc/39/81/77/1081398177.db2.gz GLDOEADYSRJDQJ-VGOKWCNXSA-N 0 3 324.371 2.054 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2csc(C)n2)C[C@@H]1C ZINC001269917189 1081398859 /nfs/dbraw/zinc/39/88/59/1081398859.db2.gz NUYANQVLZGXYEP-JSGCOSHPSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc(F)c2ccncc12 ZINC001668995491 1081417022 /nfs/dbraw/zinc/41/70/22/1081417022.db2.gz OHXKRUFHNUDBJF-PLNGDYQASA-N 0 3 311.360 2.273 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1ccc(Cl)c(C)c1 ZINC001669014498 1081419136 /nfs/dbraw/zinc/41/91/36/1081419136.db2.gz AUGGEKVQHDBJIU-ONEGZZNKSA-N 0 3 320.820 2.174 20 30 DEEDHN CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C)cc1C#N ZINC001269986871 1081419402 /nfs/dbraw/zinc/41/94/02/1081419402.db2.gz GJXONRBABOSHOS-HOTGVXAUSA-N 0 3 313.401 2.264 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)C(C)(C)CC(C)(C)C ZINC001669201351 1081438063 /nfs/dbraw/zinc/43/80/63/1081438063.db2.gz OIGMJCBIJLDNLL-FPLPWBNLSA-N 0 3 308.466 2.361 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001669297841 1081444349 /nfs/dbraw/zinc/44/43/49/1081444349.db2.gz SAGIBLQOKVBYHB-NWDGAFQWSA-N 0 3 301.394 2.021 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)c1cnco1 ZINC001669364427 1081447034 /nfs/dbraw/zinc/44/70/34/1081447034.db2.gz FEJJLKURNFGYLJ-GFCCVEGCSA-N 0 3 317.776 2.088 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001490865896 1081458707 /nfs/dbraw/zinc/45/87/07/1081458707.db2.gz HJKAZXARDKQCBF-CQDKDKBSSA-N 0 3 303.381 2.480 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001669810793 1081471765 /nfs/dbraw/zinc/47/17/65/1081471765.db2.gz GWCYTYMSZDUNEV-ZIAGYGMSSA-N 0 3 322.836 2.315 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001669811213 1081471775 /nfs/dbraw/zinc/47/17/75/1081471775.db2.gz JRUUJHASMGTWOA-CABCVRRESA-N 0 3 320.408 2.109 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCO[C@H]1CC1(F)F ZINC001669862611 1081475197 /nfs/dbraw/zinc/47/51/97/1081475197.db2.gz NHSJGTTXLZEPLO-STQMWFEESA-N 0 3 318.408 2.449 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001270225970 1081478604 /nfs/dbraw/zinc/47/86/04/1081478604.db2.gz RQCUVIZOXHVUIG-AWEZNQCLSA-N 0 3 322.371 2.237 20 30 DEEDHN C=CCCCCC[NH+]1CCC(C)(NC(=O)c2cnn[n-]2)CC1 ZINC001270237446 1081481918 /nfs/dbraw/zinc/48/19/18/1081481918.db2.gz RDIGBLNRCBUZMP-UHFFFAOYSA-N 0 3 305.426 2.135 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N(CC)CC ZINC001270249518 1081485451 /nfs/dbraw/zinc/48/54/51/1081485451.db2.gz HMEWUEFYQNAZMB-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn(C)c2C2CC2)CC1 ZINC001006471626 1081489411 /nfs/dbraw/zinc/48/94/11/1081489411.db2.gz SEUNODQFMWMZEW-UHFFFAOYSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCN(C(=O)C=C1CCC1)C1CCN(CCOC(C)C)CC1 ZINC001270301745 1081497208 /nfs/dbraw/zinc/49/72/08/1081497208.db2.gz KDZAZEAQMODXRR-UHFFFAOYSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCN(C(=O)c1ccsn1)C1CCN(CC(=C)C)CC1 ZINC001270321205 1081500897 /nfs/dbraw/zinc/50/08/97/1081500897.db2.gz PRBGFHWQAJPCQD-UHFFFAOYSA-N 0 3 303.431 2.259 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)CC(C)=C(C)C)C2)CC1 ZINC001671442939 1081517235 /nfs/dbraw/zinc/51/72/35/1081517235.db2.gz OYUDNBKXBOSGRS-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN(C(=O)c1ccco1)C1CCN(CCOC(C)C)CC1 ZINC001671451044 1081517408 /nfs/dbraw/zinc/51/74/08/1081517408.db2.gz ZQFGEZFDDDWZRJ-UHFFFAOYSA-N 0 3 318.417 2.244 20 30 DEEDHN CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](C)C#N ZINC001270501048 1081538166 /nfs/dbraw/zinc/53/81/66/1081538166.db2.gz HOSOJIKBHRMSMD-VVLHAWIVSA-N 0 3 321.465 2.274 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001270506824 1081539473 /nfs/dbraw/zinc/53/94/73/1081539473.db2.gz DHIRWCXPWCSAQS-MAUKXSAKSA-N 0 3 314.433 2.379 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001671846223 1081542726 /nfs/dbraw/zinc/54/27/26/1081542726.db2.gz CZAQMMXQMWMBOV-UHFFFAOYSA-N 0 3 313.445 2.472 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccc3nccnc32)CC1 ZINC001671857645 1081543614 /nfs/dbraw/zinc/54/36/14/1081543614.db2.gz CKPGRUTUBOIQKT-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@H](O)C(C)C)c1ccccc1CC ZINC001672177650 1081563896 /nfs/dbraw/zinc/56/38/96/1081563896.db2.gz ZNZGPVLPFARUET-IAGOWNOFSA-N 0 3 304.434 2.199 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ncccc2OCC)CC1 ZINC001006481592 1081588276 /nfs/dbraw/zinc/58/82/76/1081588276.db2.gz CEQPZVJLVYOGRX-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2sc(C)cc2C)C1 ZINC001672486938 1081603301 /nfs/dbraw/zinc/60/33/01/1081603301.db2.gz OQXVALKRFBLDPL-KRWDZBQOSA-N 0 3 322.474 2.498 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)C(F)(F)F ZINC001672531520 1081609588 /nfs/dbraw/zinc/60/95/88/1081609588.db2.gz WHPPGPQTLNTNKK-FRRDWIJNSA-N 0 3 302.340 2.273 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cccc1 ZINC001672543543 1081610413 /nfs/dbraw/zinc/61/04/13/1081610413.db2.gz LHQOCQYGMJJWBQ-MSOLQXFVSA-N 0 3 313.445 2.357 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncoc1[C@H]1CCCO1 ZINC001626751193 1081616780 /nfs/dbraw/zinc/61/67/80/1081616780.db2.gz XESJBJMBDGYUIH-CYBMUJFWSA-N 0 3 307.394 2.106 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CCNCc2ccn(CC)n2)C1 ZINC001672778525 1081626359 /nfs/dbraw/zinc/62/63/59/1081626359.db2.gz PNAORCBUVZSYIE-MRXNPFEDSA-N 0 3 316.449 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CCNCc2cc(C)ncn2)C1 ZINC001672839065 1081711373 /nfs/dbraw/zinc/71/13/73/1081711373.db2.gz ICDNKBAYJVCKMG-OAHLLOKOSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNCc2nccn2C)C1 ZINC001672857598 1081713247 /nfs/dbraw/zinc/71/32/47/1081713247.db2.gz CDENXYYWYDUBFM-QAPCUYQASA-N 0 3 318.465 2.351 20 30 DEEDHN C=C1CCC(C(=O)NCc2ccccc2CN(C)CCO)CC1 ZINC001672929689 1081722802 /nfs/dbraw/zinc/72/28/02/1081722802.db2.gz PNOAYSOPAIWTKP-UHFFFAOYSA-N 0 3 316.445 2.473 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C[C@@H]2CCOC2)cc1 ZINC001672938966 1081724313 /nfs/dbraw/zinc/72/43/13/1081724313.db2.gz ZSIBQJRXBZPYDI-HOCLYGCPSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2c[nH]c(C#N)c2)cc1 ZINC001672938202 1081724441 /nfs/dbraw/zinc/72/44/41/1081724441.db2.gz QJDGDLZXSGQUPU-CYBMUJFWSA-N 0 3 306.369 2.100 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2cncs2)cc1 ZINC001672938198 1081724541 /nfs/dbraw/zinc/72/45/41/1081724541.db2.gz QGULCVHCZZQWJE-CYBMUJFWSA-N 0 3 313.426 2.286 20 30 DEEDHN CC[C@@H]1CCC[C@H]1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001673206081 1081745549 /nfs/dbraw/zinc/74/55/49/1081745549.db2.gz MSGSBOZMLLBUHX-HZPDHXFCSA-N 0 3 306.450 2.091 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@]1(C)CCCc2ccccc21 ZINC001673202889 1081745730 /nfs/dbraw/zinc/74/57/30/1081745730.db2.gz OTXIKTFPSOUNJB-LJQANCHMSA-N 0 3 313.445 2.492 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNCc2cncs2)C1 ZINC001673304820 1081753669 /nfs/dbraw/zinc/75/36/69/1081753669.db2.gz HBHIOFIIZYKVGL-UONOGXRCSA-N 0 3 323.462 2.062 20 30 DEEDHN CC[C@@H]1CCC[C@]1(C)C(=O)NCC1(NCC#CCOC)CC1 ZINC001670807899 1081755463 /nfs/dbraw/zinc/75/54/63/1081755463.db2.gz RRVFLRIABNCCNM-WBVHZDCISA-N 0 3 306.450 2.091 20 30 DEEDHN C=C/C(C)=C\CC(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001673391666 1081764772 /nfs/dbraw/zinc/76/47/72/1081764772.db2.gz SDZMRLKKKVCMEB-STKCSNAVSA-N 0 3 304.434 2.129 20 30 DEEDHN C=C/C(C)=C/CC(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001673391665 1081765720 /nfs/dbraw/zinc/76/57/20/1081765720.db2.gz SDZMRLKKKVCMEB-NDCSFFLDSA-N 0 3 304.434 2.129 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001673491622 1081775837 /nfs/dbraw/zinc/77/58/37/1081775837.db2.gz NGOCRMYOVWOJKF-OAHLLOKOSA-N 0 3 304.409 2.418 20 30 DEEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H](C)C#N ZINC001482381861 1081780217 /nfs/dbraw/zinc/78/02/17/1081780217.db2.gz ZHGXQNFOXSJFOJ-AEFFLSMTSA-N 0 3 311.429 2.318 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)C1CC(C)(C)C1 ZINC001482383306 1081782417 /nfs/dbraw/zinc/78/24/17/1081782417.db2.gz SZTNHDBFYTYKFM-MRXNPFEDSA-N 0 3 308.466 2.193 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Oc2ccccn2)C(C)(C)C1 ZINC001674034209 1081829568 /nfs/dbraw/zinc/82/95/68/1081829568.db2.gz QMGAPQLBACFEGL-CABCVRRESA-N 0 3 317.433 2.252 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)Nc1ccccc1 ZINC001270914467 1081837813 /nfs/dbraw/zinc/83/78/13/1081837813.db2.gz PUGLVRUNRRXZFM-GJZGRUSLSA-N 0 3 317.433 2.416 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2csc(C)n2)C[C@H]1C ZINC001674148292 1081847859 /nfs/dbraw/zinc/84/78/59/1081847859.db2.gz VFBPCGBSNJQERQ-HIFRSBDPSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCCCC(=O)N1CCC2(CC1)CN(CCCOC)CCO2 ZINC001674280833 1081856790 /nfs/dbraw/zinc/85/67/90/1081856790.db2.gz ZPPRMOPUBDTKRY-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ncc(C)cc2OC)C1 ZINC001270966487 1081858887 /nfs/dbraw/zinc/85/88/87/1081858887.db2.gz YUKFSMYZMINSGT-SFHVURJKSA-N 0 3 317.433 2.417 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H](F)c2ccccc2)CC1 ZINC001674324202 1081860341 /nfs/dbraw/zinc/86/03/41/1081860341.db2.gz DPRBOGUGVMTLBM-INIZCTEOSA-N 0 3 320.408 2.216 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccc(C)cc2)CC1 ZINC001674330624 1081860570 /nfs/dbraw/zinc/86/05/70/1081860570.db2.gz WDETYASSNHFNCI-UHFFFAOYSA-N 0 3 302.418 2.128 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCc1ccc([C@H](C)NCC#CC)cc1 ZINC001280350745 1081868226 /nfs/dbraw/zinc/86/82/26/1081868226.db2.gz NLHICWLARZAMQO-KXBFYZLASA-N 0 3 314.429 2.304 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)COC2 ZINC001674486062 1081878538 /nfs/dbraw/zinc/87/85/38/1081878538.db2.gz CCMCKFCDSBFAGB-QGZVFWFLSA-N 0 3 300.402 2.439 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)N(C)C ZINC001674500131 1081884353 /nfs/dbraw/zinc/88/43/53/1081884353.db2.gz WTDLEHVQMULOCQ-MSOLQXFVSA-N 0 3 315.461 2.398 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CC(CNCc2nccnc2C)C1 ZINC001674583202 1081891040 /nfs/dbraw/zinc/89/10/40/1081891040.db2.gz JTXOLYMSPDXWDF-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN Cc1ccc(C#N)cc1C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001649248818 1081932155 /nfs/dbraw/zinc/93/21/55/1081932155.db2.gz NPEUMVXUNYLOON-INIZCTEOSA-N 0 3 314.385 2.277 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001266274794 1081932804 /nfs/dbraw/zinc/93/28/04/1081932804.db2.gz BPLGNRFYSHLXSJ-KGLIPLIRSA-N 0 3 322.836 2.487 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)[C@@H](C)CNCc1cccnc1 ZINC001271189764 1081984063 /nfs/dbraw/zinc/98/40/63/1081984063.db2.gz SZVVRUYBRBINAT-INIZCTEOSA-N 0 3 321.424 2.242 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CCCCCF)C2)nc1 ZINC001266353518 1081993634 /nfs/dbraw/zinc/99/36/34/1081993634.db2.gz WSCRUGHBMUNLRJ-HNNXBMFYSA-N 0 3 303.381 2.007 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)c1cccc(F)c1 ZINC001271248409 1081999050 /nfs/dbraw/zinc/99/90/50/1081999050.db2.gz YOSNDBJQAUQXJU-QGZVFWFLSA-N 0 3 320.408 2.210 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cnn(C)c2)CC1 ZINC001266384569 1082011934 /nfs/dbraw/zinc/01/19/34/1082011934.db2.gz NDZPJIIMCFIANF-UHFFFAOYSA-N 0 3 304.438 2.313 20 30 DEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](C)COC)C2)CC1 ZINC001271438862 1082042925 /nfs/dbraw/zinc/04/29/25/1082042925.db2.gz PSOOMTBFXBKKBT-SJLPKXTDSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001266452252 1082046745 /nfs/dbraw/zinc/04/67/45/1082046745.db2.gz LZKNOCFEUUBPAH-HNNXBMFYSA-N 0 3 304.438 2.057 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001266468212 1082056541 /nfs/dbraw/zinc/05/65/41/1082056541.db2.gz MDQYOJAHURUDDS-DLBZAZTESA-N 0 3 316.449 2.074 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1ccccc1C ZINC001266492188 1082071853 /nfs/dbraw/zinc/07/18/53/1082071853.db2.gz JVLPGQJIROIQFB-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001266537289 1082131015 /nfs/dbraw/zinc/13/10/15/1082131015.db2.gz IEBLZZLKOOFKGF-AEFFLSMTSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2cccc(Cl)c2F)C1 ZINC001266537328 1082132143 /nfs/dbraw/zinc/13/21/43/1082132143.db2.gz JCLULVVQEOHFAE-LBPRGKRZSA-N 0 3 308.784 2.093 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001266538888 1082134348 /nfs/dbraw/zinc/13/43/48/1082134348.db2.gz XIZBUXUWJSQXRT-RDJZCZTQSA-N 0 3 300.377 2.069 20 30 DEEDHN CCCN(CCNC(=O)C#CC1CC1)Cc1cccc(OC)c1 ZINC001266560132 1082157807 /nfs/dbraw/zinc/15/78/07/1082157807.db2.gz AZVSDJRIVZJVPP-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1coc(CC2CC2)n1)C1CC1 ZINC001266615884 1082216965 /nfs/dbraw/zinc/21/69/65/1082216965.db2.gz UFPVLWFEXHWMPI-UHFFFAOYSA-N 0 3 303.406 2.397 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1csc(C)n1)C(C)C ZINC001482568282 1082239973 /nfs/dbraw/zinc/23/99/73/1082239973.db2.gz KZUZUVPUMHEOHG-CYBMUJFWSA-N 0 3 315.870 2.477 20 30 DEEDHN Cc1cc[nH]c1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001266688500 1082286020 /nfs/dbraw/zinc/28/60/20/1082286020.db2.gz CUJJBTGKHCRNBI-UHFFFAOYSA-N 0 3 314.364 2.196 20 30 DEEDHN CC[C@H](C)[C@H](OC)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266752911 1082323109 /nfs/dbraw/zinc/32/31/09/1082323109.db2.gz VPAJMZCNRXPABW-YOEHRIQHSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@H]1CCCCN1C(=O)CCC ZINC001266858229 1082402633 /nfs/dbraw/zinc/40/26/33/1082402633.db2.gz NTXIPNCWIUSZSL-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1c(F)ccc(F)c1OC ZINC001482617412 1082408344 /nfs/dbraw/zinc/40/83/44/1082408344.db2.gz FAXIURKXQXFTOJ-UHFFFAOYSA-N 0 3 310.344 2.001 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001266876594 1082425308 /nfs/dbraw/zinc/42/53/08/1082425308.db2.gz CHYOQZBRKSCUIR-CQSZACIVSA-N 0 3 319.453 2.186 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C1(c2cccc(OC)c2)CC1 ZINC001482632865 1082425370 /nfs/dbraw/zinc/42/53/70/1082425370.db2.gz 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/nfs/dbraw/zinc/58/32/52/1082583252.db2.gz AELQPESBGHGKSO-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001483013145 1082623838 /nfs/dbraw/zinc/62/38/38/1082623838.db2.gz UFUPSZCATQHBDG-LAQIPUCWSA-N 0 3 304.434 2.035 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC/C=C\CNCc1ccc(F)c(C#N)c1 ZINC001483045573 1082657396 /nfs/dbraw/zinc/65/73/96/1082657396.db2.gz XXOHGJZUKZMMGG-QADGWQRPSA-N 0 3 301.365 2.115 20 30 DEEDHN Cc1cc(CN2CC[C@H]3CN(C(=O)C#CC(C)C)CC[C@H]32)on1 ZINC001272206057 1082666657 /nfs/dbraw/zinc/66/66/57/1082666657.db2.gz MICTXEYBCDCWTC-DOTOQJQBSA-N 0 3 315.417 2.065 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2cnn(C)c2)C1 ZINC001272215585 1082678146 /nfs/dbraw/zinc/67/81/46/1082678146.db2.gz IASQWFYOLVFUGP-IAGOWNOFSA-N 0 3 316.449 2.199 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001483218395 1082820353 /nfs/dbraw/zinc/82/03/53/1082820353.db2.gz VCBHCLCMUBERBP-ZYIUAKIQSA-N 0 3 315.392 2.338 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409546310 1082947040 /nfs/dbraw/zinc/94/70/40/1082947040.db2.gz KXDVNKLCNLHFLJ-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(CNCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC001413122652 1083372466 /nfs/dbraw/zinc/37/24/66/1083372466.db2.gz QFPUNJFCRCUGJC-UHFFFAOYSA-N 0 3 302.399 2.137 20 30 DEEDHN O=C(Cc1ccco1)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001276681619 1083547382 /nfs/dbraw/zinc/54/73/82/1083547382.db2.gz VGWUBLDKVAURHT-LJQANCHMSA-N 0 3 322.408 2.358 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685652 1083598493 /nfs/dbraw/zinc/59/84/93/1083598493.db2.gz LKMIJNSSXIOWJJ-OCCSQVGLSA-N 0 3 304.381 2.203 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685650 1083599080 /nfs/dbraw/zinc/59/90/80/1083599080.db2.gz LKMIJNSSXIOWJJ-GXTWGEPZSA-N 0 3 304.381 2.203 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001276862396 1083651736 /nfs/dbraw/zinc/65/17/36/1083651736.db2.gz USNGINIZLKPQAV-AWEZNQCLSA-N 0 3 316.401 2.228 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001276950212 1083696721 /nfs/dbraw/zinc/69/67/21/1083696721.db2.gz PZWXEUPQKBEEQP-ZFWWWQNUSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC001276957516 1083698418 /nfs/dbraw/zinc/69/84/18/1083698418.db2.gz UMFBAFMOIWKJMG-VXGBXAGGSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cncnc1C(C)C ZINC001276971048 1083709823 /nfs/dbraw/zinc/70/98/23/1083709823.db2.gz XEIDRWKTACBLKH-AWEZNQCLSA-N 0 3 302.422 2.370 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856739 1083766880 /nfs/dbraw/zinc/76/68/80/1083766880.db2.gz CWCZARILAPDDLI-KDOFPFPSSA-N 0 3 319.449 2.499 20 30 DEEDHN C=CCCCCCCN1CC2(C[C@H]2C(=O)Nc2nnco2)C1 ZINC001277153654 1083814357 /nfs/dbraw/zinc/81/43/57/1083814357.db2.gz UWJBXZZEVHZUQW-ZDUSSCGKSA-N 0 3 304.394 2.467 20 30 DEEDHN C[C@@H](CCCNCc1ccccc1C#N)NC(=O)c1ccnnc1 ZINC001277305718 1083903943 /nfs/dbraw/zinc/90/39/43/1083903943.db2.gz NMLXIRXMVYWFIQ-AWEZNQCLSA-N 0 3 323.400 2.037 20 30 DEEDHN CN1CCO[C@]2(CCCN(Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454484 1083980055 /nfs/dbraw/zinc/98/00/55/1083980055.db2.gz SZWKTMUSAKURKU-LJQANCHMSA-N 0 3 324.428 2.336 20 30 DEEDHN N#CCC1CN(C(=O)[C@@]23C[C@@H]2CN(Cc2cccc(F)c2)C3)C1 ZINC001277486364 1083998401 /nfs/dbraw/zinc/99/84/01/1083998401.db2.gz HXBMCWKNBBSBTM-CRAIPNDOSA-N 0 3 313.376 2.020 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cncc(F)c3)C2)C1=O ZINC001272796038 1084072252 /nfs/dbraw/zinc/07/22/52/1084072252.db2.gz UTZOPRMZSPRDBF-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCOc2ccccc2C)C1 ZINC001491130441 1084095996 /nfs/dbraw/zinc/09/59/96/1084095996.db2.gz NBDSXKWLHJEVOX-QGZVFWFLSA-N 0 3 314.429 2.225 20 30 DEEDHN COCCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001277767022 1084137825 /nfs/dbraw/zinc/13/78/25/1084137825.db2.gz OKOBSPYJFBPBJA-OAHLLOKOSA-N 0 3 320.408 2.040 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1cn(C)nc1C(F)F ZINC001277772416 1084141518 /nfs/dbraw/zinc/14/15/18/1084141518.db2.gz XNYOKJAFHMQOMR-NSHDSACASA-N 0 3 314.380 2.260 20 30 DEEDHN C[C@H](CNc1cccc(F)c1C#N)NC(=O)C1(N(C)C)CCC1 ZINC001107974848 1084153162 /nfs/dbraw/zinc/15/31/62/1084153162.db2.gz HQMWKTNSXMGLFS-GFCCVEGCSA-N 0 3 318.396 2.098 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C1(C)CC1 ZINC001277827132 1084163909 /nfs/dbraw/zinc/16/39/09/1084163909.db2.gz VMHKTFDWSOMLKW-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC(=O)N[C@H](C)CC ZINC001277858859 1084179397 /nfs/dbraw/zinc/17/93/97/1084179397.db2.gz RJWABPQCPVPACL-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCC2CCOCC2)C1 ZINC001491298141 1084219670 /nfs/dbraw/zinc/21/96/70/1084219670.db2.gz UKIUYXOOZGTGJM-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)OC)C2)C1 ZINC001671038576 1084224058 /nfs/dbraw/zinc/22/40/58/1084224058.db2.gz FASOKLPKAJXKRD-IEBWSBKVSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001280881903 1084309312 /nfs/dbraw/zinc/30/93/12/1084309312.db2.gz YTRGONQCLPHACL-UHFFFAOYSA-N 0 3 314.433 2.080 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491437009 1084311360 /nfs/dbraw/zinc/31/13/60/1084311360.db2.gz GJEMDGOWMDTRCU-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001277924435 1084317806 /nfs/dbraw/zinc/31/78/06/1084317806.db2.gz HXRCZDWWUZUUJH-HOCLYGCPSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCc1cnc(C)nc1 ZINC001277928914 1084338692 /nfs/dbraw/zinc/33/86/92/1084338692.db2.gz JLMIYVYJNFNERB-DYVFJYSZSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@@H]2CCOC2)CCC1 ZINC001235210480 1084346792 /nfs/dbraw/zinc/34/67/92/1084346792.db2.gz UATKIIZQZZRMDB-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCN(C)Cc1cnccc1C ZINC001235246297 1084359154 /nfs/dbraw/zinc/35/91/54/1084359154.db2.gz PJDJLGCYNTYCHS-INIZCTEOSA-N 0 3 319.449 2.309 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCN(C)Cc1cccnc1C ZINC001235245070 1084359464 /nfs/dbraw/zinc/35/94/64/1084359464.db2.gz KHOPCXADYAZZBY-INIZCTEOSA-N 0 3 319.449 2.309 20 30 DEEDHN N#CCCCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2nc[nH]c21 ZINC001277942823 1084405261 /nfs/dbraw/zinc/40/52/61/1084405261.db2.gz FWYNPGPIMIMKLA-HOTGVXAUSA-N 0 3 323.400 2.155 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1COc2ccccc2C1 ZINC001272898042 1084447414 /nfs/dbraw/zinc/44/74/14/1084447414.db2.gz SYGFOJVWSFVZDR-ZFWWWQNUSA-N 0 3 322.836 2.475 20 30 DEEDHN C=CCOCC(=O)NCCCN(C)Cc1ccc(F)c(F)c1 ZINC001235683684 1084497509 /nfs/dbraw/zinc/49/75/09/1084497509.db2.gz NPKFBSKTIHOVDF-UHFFFAOYSA-N 0 3 312.360 2.106 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NC(=O)CN(C)CCC)CCC1 ZINC001078225941 1084609715 /nfs/dbraw/zinc/60/97/15/1084609715.db2.gz FKYCJPRZNZUZKF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnn(C)c2C)C12CCC2 ZINC001078557840 1084740424 /nfs/dbraw/zinc/74/04/24/1084740424.db2.gz CEQQGKQXBLOBEW-KBPBESRZSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)C12CCC2 ZINC001078591523 1084761808 /nfs/dbraw/zinc/76/18/08/1084761808.db2.gz SGKDIBJJEKKRKI-CHWSQXEVSA-N 0 3 321.808 2.170 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2cccnc2)C12CCC2 ZINC001078599585 1084764115 /nfs/dbraw/zinc/76/41/15/1084764115.db2.gz WEJSKHMHTUTIJC-GJZGRUSLSA-N 0 3 319.836 2.394 20 30 DEEDHN COc1ccc(C[C@@](C)(CO)NCc2cc(C#N)ccn2)cc1 ZINC001364527677 1126184504 /nfs/dbraw/zinc/18/45/04/1126184504.db2.gz DCMJMAKVNSWAIO-SFHVURJKSA-N 0 3 311.385 2.045 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C(C)=C1CCCC1 ZINC001485860596 1084936158 /nfs/dbraw/zinc/93/61/58/1084936158.db2.gz IGBWWEDKLSDNDF-HIFRSBDPSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)CCc1cccc(N(C)C)c1 ZINC001485911516 1084975797 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C=CCN[C@@H](CO)CNC(=O)c1cc2cccc(C)c2s1 ZINC001486012091 1085029874 /nfs/dbraw/zinc/02/98/74/1085029874.db2.gz ZVEWFVKCENEHII-CYBMUJFWSA-N 0 3 304.415 2.076 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001486130301 1085079212 /nfs/dbraw/zinc/07/92/12/1085079212.db2.gz QPGGTFNFOBYEQM-LUKYLMHMSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001486129221 1085079579 /nfs/dbraw/zinc/07/95/79/1085079579.db2.gz PCPBLOULQYYGBM-KXBFYZLASA-N 0 3 310.441 2.320 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3oc(C)nc32)C1 ZINC001486137476 1085083939 /nfs/dbraw/zinc/08/39/39/1085083939.db2.gz VPXPWJNFSYQQCD-JSGCOSHPSA-N 0 3 311.385 2.352 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1Cc1ccccc1 ZINC001486163494 1085100266 /nfs/dbraw/zinc/10/02/66/1085100266.db2.gz IJZYDFKDGOMILN-GDBMZVCRSA-N 0 3 317.458 2.412 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)/C=C\c2ccco2)[C@H]1C ZINC001486168344 1085102671 /nfs/dbraw/zinc/10/26/71/1085102671.db2.gz 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C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)[C@@H]2C1 ZINC001084408555 1090293590 /nfs/dbraw/zinc/29/35/90/1090293590.db2.gz PBGLRBYRMNVZNK-CZUORRHYSA-N 0 3 304.340 2.134 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)[C@@H]2C1 ZINC001084450293 1090293829 /nfs/dbraw/zinc/29/38/29/1090293829.db2.gz FJRAAIVSMVSXIH-XLNGHYISSA-N 0 3 314.454 2.408 20 30 DEEDHN C=CCn1cc(CN2CCC3(CCN(CC=C)C3=O)CC2)cn1 ZINC001273222833 1090353699 /nfs/dbraw/zinc/35/36/99/1090353699.db2.gz MHNHYXQWNXSSCU-UHFFFAOYSA-N 0 3 314.433 2.070 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084654992 1090366338 /nfs/dbraw/zinc/36/63/38/1090366338.db2.gz JDUQZLMAZAZLDD-RBSFLKMASA-N 0 3 310.388 2.368 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3cncs3)[C@@H]2C1 ZINC001084663490 1090378454 /nfs/dbraw/zinc/37/84/54/1090378454.db2.gz FXMNJXHWLKISKQ-UKRRQHHQSA-N 0 3 305.447 2.185 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3cncnc3)C2)C1=O ZINC001273230989 1090437226 /nfs/dbraw/zinc/43/72/26/1090437226.db2.gz QMJSZQRMXFLICD-LJQANCHMSA-N 0 3 320.396 2.153 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC[C@@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001084797324 1090448924 /nfs/dbraw/zinc/44/89/24/1090448924.db2.gz QJWRAFPDDDHQQJ-BRWVUGGUSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001084819049 1090460158 /nfs/dbraw/zinc/46/01/58/1090460158.db2.gz FNUIDDVODFCTNR-CRAIPNDOSA-N 0 3 307.397 2.338 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(F)cc(C#N)c3)C2)C1=O ZINC001273237720 1090486135 /nfs/dbraw/zinc/48/61/35/1090486135.db2.gz VSDWGJNXFGQQEQ-GOSISDBHSA-N 0 3 313.376 2.308 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001099842629 1090491360 /nfs/dbraw/zinc/49/13/60/1090491360.db2.gz UEXMBWKUPFCRDY-SJORKVTESA-N 0 3 306.450 2.272 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccc(F)nc3)C2)C1=O ZINC001273243960 1090527650 /nfs/dbraw/zinc/52/76/50/1090527650.db2.gz HUOLORGABLFVSP-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CCC(F)(F)C3)C[C@@H]21 ZINC001084955308 1090544651 /nfs/dbraw/zinc/54/46/51/1090544651.db2.gz SBUDRWPFZODOEB-KFWWJZLASA-N 0 3 310.388 2.368 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccco3)C[C@@H]21 ZINC001085030616 1090604633 /nfs/dbraw/zinc/60/46/33/1090604633.db2.gz MSYVAMRBIUQNEZ-OAGGEKHMSA-N 0 3 300.402 2.329 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001098940991 1090623254 /nfs/dbraw/zinc/62/32/54/1090623254.db2.gz RETIAERTZYXMGI-BXWFABGCSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OCC ZINC001098948947 1090637236 /nfs/dbraw/zinc/63/72/36/1090637236.db2.gz JZYUBWXWYMUONX-JKSUJKDBSA-N 0 3 308.466 2.432 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)[nH]1 ZINC001085173828 1090691284 /nfs/dbraw/zinc/69/12/84/1090691284.db2.gz LLVSOBQUQBRUNO-HZPDHXFCSA-N 0 3 323.400 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnnc(C)c1 ZINC001085182387 1090697292 /nfs/dbraw/zinc/69/72/92/1090697292.db2.gz YAHOISYIBPHNIK-ZIAGYGMSSA-N 0 3 308.813 2.168 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](N2CCN(CCCC)CC2)C1 ZINC001273376079 1091111151 /nfs/dbraw/zinc/11/11/51/1091111151.db2.gz VAOWMBUBNVUPRT-SFHVURJKSA-N 0 3 319.493 2.199 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cnc2[nH]ccc2c1 ZINC001273391122 1091136217 /nfs/dbraw/zinc/13/62/17/1091136217.db2.gz HRXORLDLQWSFJH-LJQANCHMSA-N 0 3 322.412 2.153 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccn3ccnc13)CC2 ZINC001273394822 1091152823 /nfs/dbraw/zinc/15/28/23/1091152823.db2.gz SGXKHRITNTYLLI-INIZCTEOSA-N 0 3 324.428 2.239 20 30 DEEDHN CC[C@@H](C)N1CC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001274279266 1091164382 /nfs/dbraw/zinc/16/43/82/1091164382.db2.gz FFVNJGDVLFYBRJ-RDTXWAMCSA-N 0 3 312.417 2.176 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001274281468 1091167558 /nfs/dbraw/zinc/16/75/58/1091167558.db2.gz XNJQBQRVDLGLJP-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN COc1ccoc1CN1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001274460886 1091257385 /nfs/dbraw/zinc/25/73/85/1091257385.db2.gz DFBQXRIPWDVXJF-QGZVFWFLSA-N 0 3 317.389 2.016 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3occc3OC)C2)C1=O ZINC001274462756 1091257512 /nfs/dbraw/zinc/25/75/12/1091257512.db2.gz YUHWPAUNQQGSER-QGZVFWFLSA-N 0 3 304.390 2.289 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC001274468136 1091259332 /nfs/dbraw/zinc/25/93/32/1091259332.db2.gz PGWFIJSJVKSDMK-MRXNPFEDSA-N 0 3 317.477 2.280 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(SC)nc3)C2)C1=O ZINC001274535581 1091290888 /nfs/dbraw/zinc/29/08/88/1091290888.db2.gz AADIVLPVAPENAC-KRWDZBQOSA-N 0 3 317.458 2.414 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1c(C)cc(C)cc1C ZINC001274558986 1091298733 /nfs/dbraw/zinc/29/87/33/1091298733.db2.gz GSMZZBMGYYKXLD-AATRIKPKSA-N 0 3 314.429 2.137 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2C[C@](C)(O)c2ccccc2)C1=O ZINC001274654986 1091353379 /nfs/dbraw/zinc/35/33/79/1091353379.db2.gz SLWITRHJKYIHKB-OALUTQOASA-N 0 3 314.429 2.147 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN[C@@H](C)C(=O)Nc1ccccc1C ZINC001274702244 1091378660 /nfs/dbraw/zinc/37/86/60/1091378660.db2.gz ROJPKKMDDFHGRO-CABCVRRESA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2c[nH]c3ccc(O)cc23)C1=O ZINC001274752730 1091398583 /nfs/dbraw/zinc/39/85/83/1091398583.db2.gz RSAZDRURUYLSCA-LJQANCHMSA-N 0 3 323.396 2.074 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@@H](C)[C@@H](C)CC)CCO2 ZINC001274862554 1091452160 /nfs/dbraw/zinc/45/21/60/1091452160.db2.gz GREGZCUPROKSIW-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001274936829 1091481137 /nfs/dbraw/zinc/48/11/37/1091481137.db2.gz RRNUBUCHRJPEFR-OAHLLOKOSA-N 0 3 306.450 2.086 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)[C@@H](F)CC1CCCCC1 ZINC001274986099 1091500872 /nfs/dbraw/zinc/50/08/72/1091500872.db2.gz MXMNLXNSIXBZDF-ZBFHGGJFSA-N 0 3 312.429 2.039 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)[C@H](F)CC1CCCCC1 ZINC001274986097 1091501037 /nfs/dbraw/zinc/50/10/37/1091501037.db2.gz MXMNLXNSIXBZDF-GDBMZVCRSA-N 0 3 312.429 2.039 20 30 DEEDHN Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cc[nH]c2)cc1C#N ZINC001276101717 1091550405 /nfs/dbraw/zinc/55/04/05/1091550405.db2.gz HRKHMQXDUBXXGH-CALCHBBNSA-N 0 3 309.417 2.074 20 30 DEEDHN C#Cc1ccc(CN2CC3(C2)CCN(Cc2cn[nH]c2)C3)cc1 ZINC001275131691 1091574419 /nfs/dbraw/zinc/57/44/19/1091574419.db2.gz HRUVMAUELNWKHP-UHFFFAOYSA-N 0 3 306.413 2.099 20 30 DEEDHN C#Cc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)cc1 ZINC001275131542 1091574955 /nfs/dbraw/zinc/57/49/55/1091574955.db2.gz GGOGKKMANJZMNP-BGYRXZFFSA-N 0 3 310.441 2.496 20 30 DEEDHN CN1CCO[C@@]2(CCCN(Cc3c[nH]c4c3cccc4C#N)C2)C1 ZINC001275366517 1091694156 /nfs/dbraw/zinc/69/41/56/1091694156.db2.gz BLXIJVQHKZUQNN-IBGZPJMESA-N 0 3 324.428 2.336 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001275412219 1091726061 /nfs/dbraw/zinc/72/60/61/1091726061.db2.gz FXEGDHOVFPGRCY-VXGBXAGGSA-N 0 3 305.426 2.021 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001490819731 1091755149 /nfs/dbraw/zinc/75/51/49/1091755149.db2.gz KEDLTSKSUVMGJA-KRWDZBQOSA-N 0 3 320.408 2.499 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C)CCCCC1 ZINC001275451631 1091760168 /nfs/dbraw/zinc/76/01/68/1091760168.db2.gz LDLXKDFLEBQTHE-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(CC(=O)OC(C)C)C2 ZINC001273488048 1091879385 /nfs/dbraw/zinc/87/93/85/1091879385.db2.gz ZONZLDBBNQNLJE-GOSISDBHSA-N 0 3 322.449 2.361 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001273499068 1091886823 /nfs/dbraw/zinc/88/68/23/1091886823.db2.gz UIEVVMOLEMPYQB-UHFFFAOYSA-N 0 3 314.429 2.432 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cccnc2OC)CC1 ZINC000948743497 1091909997 /nfs/dbraw/zinc/90/99/97/1091909997.db2.gz WABZASXAYNFEEB-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001273559926 1091922995 /nfs/dbraw/zinc/92/29/95/1091922995.db2.gz HFTJIWVNBHHUIU-ZIAGYGMSSA-N 0 3 320.383 2.482 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C3CC3)no2)CC1 ZINC000948824726 1091957954 /nfs/dbraw/zinc/95/79/54/1091957954.db2.gz MQIUTLJBXJRZCT-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(C#N)cn3)CC2)C1=O ZINC001273631662 1091964173 /nfs/dbraw/zinc/96/41/73/1091964173.db2.gz JJPCMOZSLIFRKO-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1ccnn1C ZINC000948899067 1091988524 /nfs/dbraw/zinc/98/85/24/1091988524.db2.gz QLVMAEJMPLVAJY-SFHVURJKSA-N 0 3 324.428 2.325 20 30 DEEDHN C#CCCCC(=O)N1CCC(CC)(NCc2nccn2C)CC1 ZINC001273750439 1092029058 /nfs/dbraw/zinc/02/90/58/1092029058.db2.gz RBOICFVZPCMYIP-UHFFFAOYSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC001006439650 1092039639 /nfs/dbraw/zinc/03/96/39/1092039639.db2.gz PDIRXUZIQFDPQV-UHFFFAOYSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCc1ccoc1)CCO2 ZINC000949066705 1092042314 /nfs/dbraw/zinc/04/23/14/1092042314.db2.gz BQBDHFBWGKJSOP-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C[C@@H](C)C1CC1)CCO2 ZINC000949251298 1092081826 /nfs/dbraw/zinc/08/18/26/1092081826.db2.gz LQNYIHRCYBBMJX-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cc(C(C)(C)C)on1 ZINC001275882844 1092268003 /nfs/dbraw/zinc/26/80/03/1092268003.db2.gz UOXQLPGCENXDGF-ZDUSSCGKSA-N 0 3 323.437 2.225 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001275897728 1092281559 /nfs/dbraw/zinc/28/15/59/1092281559.db2.gz SXAUFNGDZHFWND-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN Cc1nc(C(=O)N(C)CCCNCc2ccccc2C#N)co1 ZINC001275968117 1092396075 /nfs/dbraw/zinc/39/60/75/1092396075.db2.gz KDBJIOSHMBZTJF-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2ccc(C#N)cc2)on1 ZINC001273876318 1092475376 /nfs/dbraw/zinc/47/53/76/1092475376.db2.gz XHKQBMAMRNCNQB-HOTGVXAUSA-N 0 3 322.368 2.132 20 30 DEEDHN Cc1cccnc1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001273938634 1092523554 /nfs/dbraw/zinc/52/35/54/1092523554.db2.gz JBHBOIOUJAJVND-NSCUHMNNSA-N 0 3 320.396 2.338 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001273935678 1092523969 /nfs/dbraw/zinc/52/39/69/1092523969.db2.gz HKBOTTKURWAAOJ-WMZOPIPTSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)OC ZINC001488695221 1092693295 /nfs/dbraw/zinc/69/32/95/1092693295.db2.gz XXMJEUJSKCIPGJ-ZWKOTPCHSA-N 0 3 316.445 2.353 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NCc3cc(C)ncn3)C2)C1 ZINC001488856557 1092782102 /nfs/dbraw/zinc/78/21/02/1092782102.db2.gz VUYLDVCYZCLZGO-SHTZXODSSA-N 0 3 314.433 2.126 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCO)C[C@H]1c1ccccc1 ZINC001488884627 1092827060 /nfs/dbraw/zinc/82/70/60/1092827060.db2.gz DVOBKKZOEGGWID-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN CN(CCCCCCNCc1cnns1)C(=O)C#CC1CC1 ZINC001489098514 1092912562 /nfs/dbraw/zinc/91/25/62/1092912562.db2.gz NOHCDLDRLHIRMX-UHFFFAOYSA-N 0 3 320.462 2.060 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2cccc(OC)c2)[C@H]1C ZINC001489291059 1093007447 /nfs/dbraw/zinc/00/74/47/1093007447.db2.gz SPWIHTTZQMDLHY-PBHICJAKSA-N 0 3 318.417 2.229 20 30 DEEDHN C=C(C)CCNCc1nc2c(s1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001489334892 1093026320 /nfs/dbraw/zinc/02/63/20/1093026320.db2.gz DEXOBXPXGJCYSC-GFCCVEGCSA-N 0 3 318.446 2.243 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)COC(C)C ZINC001490317419 1093306652 /nfs/dbraw/zinc/30/66/52/1093306652.db2.gz NHOUHENXVUOIMF-UHFFFAOYSA-N 0 3 316.445 2.291 20 30 DEEDHN C=CCn1cc(C(=O)N[C@H]2CCCN(CC/C=C/CC)C2)nn1 ZINC001490450388 1093365578 /nfs/dbraw/zinc/36/55/78/1093365578.db2.gz FGTSVZQDJRVSLO-NFAHFFEMSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC001490434930 1093380898 /nfs/dbraw/zinc/38/08/98/1093380898.db2.gz VXBKFCLTHXMHBS-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN CCC[C@@H](CC)C(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001490604680 1093442552 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PVRAEJYYAOYNSA-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(CC)CCCCC1 ZINC001282241506 1145021116 /nfs/dbraw/zinc/02/11/16/1145021116.db2.gz MIYJWWFDBWKCGN-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001282379517 1145053378 /nfs/dbraw/zinc/05/33/78/1145053378.db2.gz FQVKLTXBVUYONC-OAGGEKHMSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)CCc1cnn(C)c1 ZINC001282456324 1145072314 /nfs/dbraw/zinc/07/23/14/1145072314.db2.gz ZFRQRUQBGWFCSB-PBHICJAKSA-N 0 3 306.454 2.001 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CCCC)CN[C@@H](C)C(=O)NC)CC1 ZINC001282648760 1145109999 /nfs/dbraw/zinc/10/99/99/1145109999.db2.gz ZRJQSCQYAFKHMU-HOCLYGCPSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001282739295 1145155765 /nfs/dbraw/zinc/15/57/65/1145155765.db2.gz TXDRTGDMVSSYMV-KDOFPFPSSA-N 0 3 312.413 2.108 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCC(C)(F)F)C(C)(C)C1 ZINC001282813365 1145169297 /nfs/dbraw/zinc/16/92/97/1145169297.db2.gz WJEWROZCEPCVTQ-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@]3(C)CCc4ccccc4C3)[C@@H]2C1 ZINC001282897292 1145193746 /nfs/dbraw/zinc/19/37/46/1145193746.db2.gz YQVPWNJWSBMYRA-HUUJSLGLSA-N 0 3 322.452 2.109 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](CN[C@H](C)c2cnc(C)cn2)C1 ZINC001283022840 1145239073 /nfs/dbraw/zinc/23/90/73/1145239073.db2.gz IGQCYBUBWDMJKX-RBSFLKMASA-N 0 3 302.422 2.297 20 30 DEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001364459108 1145266855 /nfs/dbraw/zinc/26/68/55/1145266855.db2.gz IXWKFYPZXNGZGG-GOEBONIOSA-N 0 3 313.401 2.418 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C(C)C)CC1 ZINC001283664122 1145569284 /nfs/dbraw/zinc/56/92/84/1145569284.db2.gz UNAXHGJFOUIOAA-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](CO)N[C@@H](C)c1ccccc1C ZINC001283793255 1145649094 /nfs/dbraw/zinc/64/90/94/1145649094.db2.gz TWOMFCKBJJMTRL-DLBZAZTESA-N 0 3 316.445 2.316 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](OC)C3CCCC3)CCC[C@@H]12 ZINC001284071839 1145785409 /nfs/dbraw/zinc/78/54/09/1145785409.db2.gz NPBBHMMFVRIBLK-ZHALLVOQSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(CCn2cccn2)[C@H]1C ZINC001284133088 1145805893 /nfs/dbraw/zinc/80/58/93/1145805893.db2.gz UENDCIRIKLZVCK-JKSUJKDBSA-N 0 3 304.438 2.209 20 30 DEEDHN C=CC1(CC(=O)N[C@H]2CCCN(CCO)[C@H]2C)CCCCC1 ZINC001284132614 1145805973 /nfs/dbraw/zinc/80/59/73/1145805973.db2.gz QNHDFCPYKIJZBG-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cnn(CC)c1C)C(C)C ZINC001284553294 1145870498 /nfs/dbraw/zinc/87/04/98/1145870498.db2.gz HZKLOASXLXMNMO-UHFFFAOYSA-N 0 3 304.438 2.017 20 30 DEEDHN N#Cc1ccc(CNCc2ccc(N3CCNC3=O)cc2)cc1 ZINC001365481391 1145878142 /nfs/dbraw/zinc/87/81/42/1145878142.db2.gz CAYVHOQQGVWLBG-UHFFFAOYSA-N 0 3 306.369 2.378 20 30 DEEDHN C#CCCN(CCNC(=O)c1cc2ccccc2o1)CCOC ZINC001284669551 1145888040 /nfs/dbraw/zinc/88/80/40/1145888040.db2.gz ZDJQUNZRQISVBH-UHFFFAOYSA-N 0 3 314.385 2.134 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNC(=O)CN(C)CCC ZINC001284680028 1145889606 /nfs/dbraw/zinc/88/96/06/1145889606.db2.gz KSASGHRWKCPTLX-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)CCc2cscn2)CC1 ZINC001284732228 1145897310 /nfs/dbraw/zinc/89/73/10/1145897310.db2.gz XRNCPQJMZPWHQX-AWEZNQCLSA-N 0 3 319.474 2.316 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CC(N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001284771435 1145905183 /nfs/dbraw/zinc/90/51/83/1145905183.db2.gz QTSAQJMWUAYEPG-IYXRBSQSSA-N 0 3 319.453 2.363 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)CCCOC)CC2)CC1 ZINC001284847140 1145936995 /nfs/dbraw/zinc/93/69/95/1145936995.db2.gz XDDAYXMZVIRQNM-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001284863621 1145945347 /nfs/dbraw/zinc/94/53/47/1145945347.db2.gz XVFRREPDLOCTPN-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cscn2)c(F)c1 ZINC001285004373 1146006336 /nfs/dbraw/zinc/00/63/36/1146006336.db2.gz JNQSFSXPMNOZGW-UHFFFAOYSA-N 0 3 305.378 2.488 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001285067031 1146020326 /nfs/dbraw/zinc/02/03/26/1146020326.db2.gz ZWPODQULQGDUND-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001287883532 1146738932 /nfs/dbraw/zinc/73/89/32/1146738932.db2.gz XBIINYFXYQNJMP-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2nnc(C(C)C)[nH]2)C1 ZINC001491806615 1146926506 /nfs/dbraw/zinc/92/65/06/1146926506.db2.gz UMVQLDIKNZVUAB-CQSZACIVSA-N 0 3 319.453 2.223 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)n1cnc(C)c1)C1CC1 ZINC001366035841 1147020931 /nfs/dbraw/zinc/02/09/31/1147020931.db2.gz ULNZFSSEIDXHMM-AWEZNQCLSA-N 0 3 324.856 2.164 20 30 DEEDHN CC(C)OCC(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001491993674 1147033940 /nfs/dbraw/zinc/03/39/40/1147033940.db2.gz NTDBQLJXUOHIID-CYBMUJFWSA-N 0 3 321.396 2.107 20 30 DEEDHN Cc1nc(CN[C@@H](C)CCNC(=O)C#CC(C)C)c(C)s1 ZINC001492019959 1147045347 /nfs/dbraw/zinc/04/53/47/1147045347.db2.gz IOMSJVUHHPMCDH-LBPRGKRZSA-N 0 3 307.463 2.404 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001366109291 1147058860 /nfs/dbraw/zinc/05/88/60/1147058860.db2.gz LPNRZNPHBDUNSW-UKJIMTQDSA-N 0 3 307.344 2.422 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](OC)C1CCCC1 ZINC001492120836 1147082168 /nfs/dbraw/zinc/08/21/68/1147082168.db2.gz XPRJUABRJTYAON-OCCSQVGLSA-N 0 3 302.846 2.429 20 30 DEEDHN CC[C@H](F)CNC[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001366211199 1147119037 /nfs/dbraw/zinc/11/90/37/1147119037.db2.gz DCFYVXWAVPFYLQ-KBPBESRZSA-N 0 3 306.385 2.219 20 30 DEEDHN CN(CCNC(=O)CSCC#N)Cc1ccc(C2CC2)cc1 ZINC001492195558 1147140730 /nfs/dbraw/zinc/14/07/30/1147140730.db2.gz WSISUIRYOMBWBK-UHFFFAOYSA-N 0 3 317.458 2.369 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCN(C)CC(=C)C)cc1 ZINC001492251084 1147185797 /nfs/dbraw/zinc/18/57/97/1147185797.db2.gz DUBCRAMAZXBRSB-UHFFFAOYSA-N 0 3 300.402 2.326 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccc(CO)cc1 ZINC001492399111 1147242682 /nfs/dbraw/zinc/24/26/82/1147242682.db2.gz DANOQBOZDCQPDN-GOSISDBHSA-N 0 3 304.434 2.329 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001492447228 1147260970 /nfs/dbraw/zinc/26/09/70/1147260970.db2.gz APBNGHSLWVYGJH-UHFFFAOYSA-N 0 3 308.466 2.453 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1csc(-c2ccoc2)n1 ZINC001492459872 1147265128 /nfs/dbraw/zinc/26/51/28/1147265128.db2.gz ZVUXYRKKZCDDBQ-UHFFFAOYSA-N 0 3 303.387 2.088 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001317464209 1147387014 /nfs/dbraw/zinc/38/70/14/1147387014.db2.gz RWHZDSDJUAPTGU-LBPRGKRZSA-N 0 3 309.435 2.232 20 30 DEEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccccc1C(N)=O ZINC001308138117 1147449915 /nfs/dbraw/zinc/44/99/15/1147449915.db2.gz WEIPBXUFMIFBOV-CYBMUJFWSA-N 0 3 301.390 2.155 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001316743257 1147520776 /nfs/dbraw/zinc/52/07/76/1147520776.db2.gz DCTGVXOYSCOLNU-INIZCTEOSA-N 0 3 306.450 2.038 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COC2CCCC2)CC(C)(C)C1 ZINC001316807600 1147581792 /nfs/dbraw/zinc/58/17/92/1147581792.db2.gz GARLRNVZNDGENW-OAHLLOKOSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c[nH]c2ccc(F)cc21 ZINC001316871012 1147617476 /nfs/dbraw/zinc/61/74/76/1147617476.db2.gz RBLPOYXPNBQGII-UHFFFAOYSA-N 0 3 301.365 2.382 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cn(CCC)nc1C)C1CC1 ZINC001316925342 1147632724 /nfs/dbraw/zinc/63/27/24/1147632724.db2.gz LRLWKPPAOIOERI-UHFFFAOYSA-N 0 3 316.449 2.209 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC001316929917 1147633760 /nfs/dbraw/zinc/63/37/60/1147633760.db2.gz JSDYDTBHTPGMRG-UHFFFAOYSA-N 0 3 324.428 2.479 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001316959891 1147639342 /nfs/dbraw/zinc/63/93/42/1147639342.db2.gz BGEBJTJGHYJCME-ZWKOTPCHSA-N 0 3 319.493 2.123 20 30 DEEDHN CCCCCCN1CCN(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001316962960 1147639844 /nfs/dbraw/zinc/63/98/44/1147639844.db2.gz IOGUERRFJBOKLN-UHFFFAOYSA-N 0 3 321.509 2.350 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001316983299 1147643609 /nfs/dbraw/zinc/64/36/09/1147643609.db2.gz VNYRACZGIMPSCY-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001316995743 1147646090 /nfs/dbraw/zinc/64/60/90/1147646090.db2.gz DNYUUEVSLTYEMN-CUCMZFDFSA-N 0 3 312.841 2.037 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCc2cncs2)CC1 ZINC001317000764 1147646812 /nfs/dbraw/zinc/64/68/12/1147646812.db2.gz GSUAPNNQTGXROA-HNNXBMFYSA-N 0 3 317.458 2.070 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001317059053 1147654287 /nfs/dbraw/zinc/65/42/87/1147654287.db2.gz DWKNDIFLGOIFAI-HNNXBMFYSA-N 0 3 312.413 2.184 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001317070006 1147655838 /nfs/dbraw/zinc/65/58/38/1147655838.db2.gz WJJNZAILBJMNRP-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001317074585 1147656590 /nfs/dbraw/zinc/65/65/90/1147656590.db2.gz HNPDGCNDUDLPLU-BZUAXINKSA-N 0 3 314.433 2.276 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H]1CCCCN1CCCO)c1ccccc1 ZINC001317178670 1147671908 /nfs/dbraw/zinc/67/19/08/1147671908.db2.gz CYSKSJKOLIFQMU-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)NCCC ZINC001317186872 1147673215 /nfs/dbraw/zinc/67/32/15/1147673215.db2.gz USKMBTMJYSRVMR-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC[C@H](F)CC)cn1 ZINC001317196424 1147674453 /nfs/dbraw/zinc/67/44/53/1147674453.db2.gz CCCUWPJBMZHBQE-NVXWUHKLSA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2cccc(F)c2)C1 ZINC001317202203 1147675733 /nfs/dbraw/zinc/67/57/33/1147675733.db2.gz FEALGYLDKWDEFW-HOCLYGCPSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccccc2N(C)C)C1 ZINC001317297421 1147687302 /nfs/dbraw/zinc/68/73/02/1147687302.db2.gz BTOOQOIHFDZESJ-QGZVFWFLSA-N 0 3 313.445 2.247 20 30 DEEDHN Cc1ncoc1CN(C)CCC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001367435349 1147693656 /nfs/dbraw/zinc/69/36/56/1147693656.db2.gz GFTZEKKRKWWVFC-CYBMUJFWSA-N 0 3 318.421 2.203 20 30 DEEDHN CCC(=O)NC[C@H](NCc1cc(C#N)ccc1OC)C(C)C ZINC001367437187 1147693947 /nfs/dbraw/zinc/69/39/47/1147693947.db2.gz KOXJMRCJOVVOOY-HNNXBMFYSA-N 0 3 303.406 2.207 20 30 DEEDHN Cc1cc(CN[C@@H]2CCC[C@H](NC(=O)C#CC(C)C)C2)on1 ZINC001317360526 1147695941 /nfs/dbraw/zinc/69/59/41/1147695941.db2.gz ZRFANIDEIVWQDA-CABCVRRESA-N 0 3 303.406 2.159 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001317382478 1147700262 /nfs/dbraw/zinc/70/02/62/1147700262.db2.gz RXUBNSLLIKNCBD-BBRMVZONSA-N 0 3 316.449 2.076 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C)nn1CC)C(C)C ZINC001367484547 1147700757 /nfs/dbraw/zinc/70/07/57/1147700757.db2.gz WEFFEEFSHZZNSW-ZDUSSCGKSA-N 0 3 312.845 2.308 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)[C@H](C)c1cccc(OC)c1 ZINC001317445477 1147709909 /nfs/dbraw/zinc/70/99/09/1147709909.db2.gz WYTYIMDCAVUTOD-KDOFPFPSSA-N 0 3 320.433 2.131 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCOc1ccc(F)cc1 ZINC001317507750 1147717299 /nfs/dbraw/zinc/71/72/99/1147717299.db2.gz LAJQXSUFYOTFLW-OAHLLOKOSA-N 0 3 306.381 2.361 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCN(C)C(=O)C1CCCC1 ZINC001317560435 1147725190 /nfs/dbraw/zinc/72/51/90/1147725190.db2.gz ADQJSDBAOHNUBV-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(OC)cc1OC)C1CC1 ZINC001317560081 1147725335 /nfs/dbraw/zinc/72/53/35/1147725335.db2.gz UEBKRMIKSJESAG-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)CCNCC(=O)N1CCCC[C@@H]1C ZINC001317623519 1147734348 /nfs/dbraw/zinc/73/43/48/1147734348.db2.gz NVPONVKQAFMCCS-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cccc(OCC(C)C)c1 ZINC001317663859 1147740672 /nfs/dbraw/zinc/74/06/72/1147740672.db2.gz XCANJRZMDDUBNU-UHFFFAOYSA-N 0 3 302.418 2.406 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 ZINC001317723085 1147747500 /nfs/dbraw/zinc/74/75/00/1147747500.db2.gz DBMLJQISBVORJF-GOSISDBHSA-N 0 3 322.412 2.371 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CC ZINC001317735544 1147748403 /nfs/dbraw/zinc/74/84/03/1147748403.db2.gz SXSZYMSDQILXAO-JOTZZJAKSA-N 0 3 304.434 2.056 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)COC2CCCC2)C1 ZINC001317754949 1147749350 /nfs/dbraw/zinc/74/93/50/1147749350.db2.gz VOHHLTWIZFXHFG-MRXNPFEDSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)Cc2cnc(C)o2)C1 ZINC001317760045 1147749937 /nfs/dbraw/zinc/74/99/37/1147749937.db2.gz XOOMPMIQHZUBTG-HNNXBMFYSA-N 0 3 305.422 2.415 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(Cc2cncn2C)C1 ZINC001317790265 1147752740 /nfs/dbraw/zinc/75/27/40/1147752740.db2.gz QJEHUGRYYFVEBA-OAHLLOKOSA-N 0 3 304.438 2.105 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001318248306 1147803938 /nfs/dbraw/zinc/80/39/38/1147803938.db2.gz RAGVNNIUVKCERU-RDJZCZTQSA-N 0 3 322.474 2.383 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001367975493 1147811878 /nfs/dbraw/zinc/81/18/78/1147811878.db2.gz DHJPFKQROHZHGR-FZMZJTMJSA-N 0 3 301.365 2.092 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cccc(F)c2)C1 ZINC001318382760 1147819389 /nfs/dbraw/zinc/81/93/89/1147819389.db2.gz XMTMPEQUSFWWOR-INIZCTEOSA-N 0 3 306.381 2.175 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3cc(F)c[nH]3)CC2)c1 ZINC001368011043 1147827243 /nfs/dbraw/zinc/82/72/43/1147827243.db2.gz HPAUTPAWLPZZTR-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)C[C@H](C)OC)C2)CC1 ZINC001325352948 1147895278 /nfs/dbraw/zinc/89/52/78/1147895278.db2.gz UAABLOBTRKDNQT-WMZOPIPTSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cn(C)cn1)c1ccccc1CC ZINC001325360115 1147895978 /nfs/dbraw/zinc/89/59/78/1147895978.db2.gz BVQHCHIXTJBFPC-KRWDZBQOSA-N 0 3 324.428 2.067 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)OCC2CC2)cc1 ZINC001326466846 1148108192 /nfs/dbraw/zinc/10/81/92/1148108192.db2.gz DPHDZQJAOOMVCQ-CABCVRRESA-N 0 3 314.429 2.402 20 30 DEEDHN C#CCNC1(CNC(=O)c2cccc(OCCC)c2)CCC1 ZINC001326830395 1148262972 /nfs/dbraw/zinc/26/29/72/1148262972.db2.gz LDHQPQKKBBEAPW-UHFFFAOYSA-N 0 3 300.402 2.351 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000079215907 185161690 /nfs/dbraw/zinc/16/16/90/185161690.db2.gz OIPVZTNAUZGVPO-INIZCTEOSA-N 0 3 322.497 2.048 20 30 DEEDHN CCNC(=O)N1CC[C@H](N[C@H](CC)c2ccc(C#N)cc2)C1 ZINC000278707975 214341963 /nfs/dbraw/zinc/34/19/63/214341963.db2.gz LKEWGHGRVDTUIT-JKSUJKDBSA-N 0 3 300.406 2.403 20 30 DEEDHN CCNC(=O)N1CC[C@@H](N[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000278707969 214342811 /nfs/dbraw/zinc/34/28/11/214342811.db2.gz LKEWGHGRVDTUIT-CVEARBPZSA-N 0 3 300.406 2.403 20 30 DEEDHN CCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1C ZINC000613286918 362070044 /nfs/dbraw/zinc/07/00/44/362070044.db2.gz DDZDUQSMFSMSLC-NSHDSACASA-N 0 3 307.357 2.359 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000410595705 529799380 /nfs/dbraw/zinc/79/93/80/529799380.db2.gz XRGROHMVAYTLKU-GXTWGEPZSA-N 0 3 318.808 2.163 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)C1 ZINC000292965065 529810820 /nfs/dbraw/zinc/81/08/20/529810820.db2.gz POESBPOLARAADE-INIZCTEOSA-N 0 3 302.353 2.257 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(C#N)s1 ZINC000422215216 529948226 /nfs/dbraw/zinc/94/82/26/529948226.db2.gz IALLQQSJMNNKKR-GFCCVEGCSA-N 0 3 306.435 2.103 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000614194955 362312858 /nfs/dbraw/zinc/31/28/58/362312858.db2.gz PDISRLVSDZXUEJ-PXAZEXFGSA-N 0 3 315.392 2.434 20 30 DEEDHN CCOC(=O)N[C@H](CNCc1cc(C#N)n(C)c1)CC(C)C ZINC000190733027 282325491 /nfs/dbraw/zinc/32/54/91/282325491.db2.gz CLMUVXMJWSCBCK-AWEZNQCLSA-N 0 3 306.410 2.147 20 30 DEEDHN CN1CCC(Oc2ccc(CNC(=O)CCCC#N)cc2)CC1 ZINC000292018476 530051013 /nfs/dbraw/zinc/05/10/13/530051013.db2.gz ZAJGCEUGOXNSPH-UHFFFAOYSA-N 0 3 315.417 2.470 20 30 DEEDHN CN1CCN(CCC(C)(C)Nc2ncc(C#N)cc2Cl)CC1 ZINC000302238065 530072140 /nfs/dbraw/zinc/07/21/40/530072140.db2.gz GTXWPGIGYAFIJK-UHFFFAOYSA-N 0 3 321.856 2.435 20 30 DEEDHN CC1CCN(CCNC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595456393 358453108 /nfs/dbraw/zinc/45/31/08/358453108.db2.gz VYHUCHOHCABVEH-UHFFFAOYSA-N 0 3 314.433 2.132 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCSC3)C2=O)cc1 ZINC000272608859 210010304 /nfs/dbraw/zinc/01/03/04/210010304.db2.gz VTNVMPGDUQEYTF-UKRRQHHQSA-N 0 3 301.415 2.149 20 30 DEEDHN N#Cc1cc(NCc2ccccc2CN2CC[C@H](O)C2)ccn1 ZINC000287011596 219269118 /nfs/dbraw/zinc/26/91/18/219269118.db2.gz VALMMZMFRQVMCA-SFHVURJKSA-N 0 3 308.385 2.132 20 30 DEEDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296046235 186686550 /nfs/dbraw/zinc/68/65/50/186686550.db2.gz OHBJMKFBTPSJCT-NVXWUHKLSA-N 0 3 318.417 2.045 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccon1 ZINC001098987408 781929433 /nfs/dbraw/zinc/92/94/33/781929433.db2.gz BFQMJLDPYBEVHR-OAHLLOKOSA-N 0 3 305.422 2.400 20 30 DEEDHN O=C(NCCN1CCCCCC1)c1csc(NC2CC2)n1 ZINC000329537290 539922331 /nfs/dbraw/zinc/92/23/31/539922331.db2.gz UWBDJOQEFQWVOV-UHFFFAOYSA-N 0 3 308.451 2.898 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCc2cccn2C)CC1 ZINC000173198656 198194301 /nfs/dbraw/zinc/19/43/01/198194301.db2.gz RARHMAGHSVSTID-OAHLLOKOSA-N 0 3 318.465 2.296 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 ZINC000173392404 198210021 /nfs/dbraw/zinc/21/00/21/198210021.db2.gz BBNXXJOUBFWIRT-OAHLLOKOSA-N 0 3 317.458 2.364 20 30 DEEDHN CC(=O)NCc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041562861 354175257 /nfs/dbraw/zinc/17/52/57/354175257.db2.gz ZWIYTNOTFCPMEU-INIZCTEOSA-N 0 3 322.368 2.220 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1OC ZINC000042505745 354197909 /nfs/dbraw/zinc/19/79/09/354197909.db2.gz DEONQWBUMHEWTC-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239353 354215718 /nfs/dbraw/zinc/21/57/18/354215718.db2.gz QDGLANMPQZOANT-GOEBONIOSA-N 0 3 300.406 2.062 20 30 DEEDHN C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)N1CCCC1 ZINC000048128369 354342848 /nfs/dbraw/zinc/34/28/48/354342848.db2.gz DOEHVMNCQXVLIE-CQSZACIVSA-N 0 3 317.458 2.392 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067125435 354747652 /nfs/dbraw/zinc/74/76/52/354747652.db2.gz DCNSTXBXMOITSZ-UHFFFAOYSA-N 0 3 301.346 2.187 20 30 DEEDHN CCN(C)CCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000066949026 354741684 /nfs/dbraw/zinc/74/16/84/354741684.db2.gz YYXFLBPMEWWUMI-MRXNPFEDSA-N 0 3 303.406 2.030 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCCN(Cc2ccccc2C)CC1 ZINC000073872687 354988569 /nfs/dbraw/zinc/98/85/69/354988569.db2.gz PCDNSMIXQARWNS-KRWDZBQOSA-N 0 3 315.461 2.193 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOC ZINC000078770409 355277272 /nfs/dbraw/zinc/27/72/72/355277272.db2.gz MPJKUWIWFRBTEW-UHFFFAOYSA-N 0 3 310.467 2.231 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC000081355683 355421341 /nfs/dbraw/zinc/42/13/41/355421341.db2.gz KAFNZGWKZYELSG-CABCVRRESA-N 0 3 322.449 2.123 20 30 DEEDHN N#Cc1ccncc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000091676602 355605073 /nfs/dbraw/zinc/60/50/73/355605073.db2.gz SVGBALAWZNQFHE-SJORKVTESA-N 0 3 308.385 2.001 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@]1(C)CO)C(C)C ZINC000124525870 355808585 /nfs/dbraw/zinc/80/85/85/355808585.db2.gz AVKVHBCXGJGYEV-AEFFLSMTSA-N 0 3 323.481 2.241 20 30 DEEDHN N#Cc1cc(F)c(C(=O)N[C@H]2CCN(CC3CC3)C2)c(F)c1 ZINC000153144505 355936553 /nfs/dbraw/zinc/93/65/53/355936553.db2.gz JFIVQEJBMPZGAI-LBPRGKRZSA-N 0 3 305.328 2.051 20 30 DEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000595610235 358500657 /nfs/dbraw/zinc/50/06/57/358500657.db2.gz UKPNAZAVOJUUEZ-GOEBONIOSA-N 0 3 306.381 2.329 20 30 DEEDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000182552175 356131588 /nfs/dbraw/zinc/13/15/88/356131588.db2.gz MJUVRARPCLXMIU-CYBMUJFWSA-N 0 3 316.405 2.058 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000182621559 356134284 /nfs/dbraw/zinc/13/42/84/356134284.db2.gz ZJGOCGQRWCZWSA-KGLIPLIRSA-N 0 3 320.462 2.419 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)C#N)c1 ZINC000182839097 356148368 /nfs/dbraw/zinc/14/83/68/356148368.db2.gz JRGDHCUDVLVZDI-OAHLLOKOSA-N 0 3 302.422 2.228 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185791792 356211334 /nfs/dbraw/zinc/21/13/34/356211334.db2.gz YAAPVPCZOYKFBC-YOEHRIQHSA-N 0 3 314.433 2.356 20 30 DEEDHN C[C@@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000230678577 356284464 /nfs/dbraw/zinc/28/44/64/356284464.db2.gz WOAMTIJLAHYQQZ-UKRRQHHQSA-N 0 3 306.431 2.358 20 30 DEEDHN C=C[C@@H](C(=O)OC)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000323392862 356456426 /nfs/dbraw/zinc/45/64/26/356456426.db2.gz LBIOJPAQHSVTRN-RDJZCZTQSA-N 0 3 302.418 2.168 20 30 DEEDHN C=C[C@@H](C(=O)OC)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382581693 356677095 /nfs/dbraw/zinc/67/70/95/356677095.db2.gz NDNHXAAABBRAIV-WBVHZDCISA-N 0 3 302.418 2.310 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ccnc(C#N)n1 ZINC000383065807 356678938 /nfs/dbraw/zinc/67/89/38/356678938.db2.gz DXJAOMGPQBWUBI-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN C[C@@H](NC(=O)NCC1(C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000579748036 357027210 /nfs/dbraw/zinc/02/72/10/357027210.db2.gz LFFYRETVCFADOD-HIFRSBDPSA-N 0 3 300.406 2.281 20 30 DEEDHN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000580888171 357096693 /nfs/dbraw/zinc/09/66/93/357096693.db2.gz IRBVHFQGHDXBLN-NHAGDIPZSA-N 0 3 321.446 2.141 20 30 DEEDHN C[C@H]1CCSCCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000585816806 357360972 /nfs/dbraw/zinc/36/09/72/357360972.db2.gz VMPYSYZMSLJIDP-GOEBONIOSA-N 0 3 320.458 2.320 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000588978472 357438484 /nfs/dbraw/zinc/43/84/84/357438484.db2.gz UFOYFBDTBDWQOP-QGTPRVQTSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@@H](NC(=O)c1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000589488992 357474850 /nfs/dbraw/zinc/47/48/50/357474850.db2.gz WMOVKIHFFMJQGD-DYVFJYSZSA-N 0 3 308.385 2.374 20 30 DEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000590738493 357595890 /nfs/dbraw/zinc/59/58/90/357595890.db2.gz BRSLZMZXMZBBLC-UHFFFAOYSA-N 0 3 304.434 2.478 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(OC(C)(C)C)cc1 ZINC000591241456 357694400 /nfs/dbraw/zinc/69/44/00/357694400.db2.gz USKJHPSNZPICRF-MRXNPFEDSA-N 0 3 319.449 2.160 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000591549439 357735384 /nfs/dbraw/zinc/73/53/84/357735384.db2.gz WNCMUVJXZJUSFJ-DOTOQJQBSA-N 0 3 312.417 2.281 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000591799390 357761780 /nfs/dbraw/zinc/76/17/80/357761780.db2.gz BJTWTFKGNVKTHS-DLBZAZTESA-N 0 3 323.400 2.214 20 30 DEEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000592147352 357839120 /nfs/dbraw/zinc/83/91/20/357839120.db2.gz OMTBZQYBRXTCLZ-OAHLLOKOSA-N 0 3 307.781 2.019 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC2=CCCOC2)CC1 ZINC000660598037 540310240 /nfs/dbraw/zinc/31/02/40/540310240.db2.gz WFBIGSYGADTKNX-UHFFFAOYSA-N 0 3 307.438 2.015 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000662084411 540327096 /nfs/dbraw/zinc/32/70/96/540327096.db2.gz RGWIJEZRBRWATP-ZNMIVQPWSA-N 0 3 300.406 2.017 20 30 DEEDHN N#Cc1cnccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593055502 357997076 /nfs/dbraw/zinc/99/70/76/357997076.db2.gz KWODWJQQEYKATG-QWRGUYRKSA-N 0 3 313.279 2.061 20 30 DEEDHN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C(C#N)CC ZINC000593442803 358079580 /nfs/dbraw/zinc/07/95/80/358079580.db2.gz GJRJNOWZRPYLEQ-CYBMUJFWSA-N 0 3 306.337 2.267 20 30 DEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cnn1-c1ccc(C)cc1 ZINC000593919504 358172542 /nfs/dbraw/zinc/17/25/42/358172542.db2.gz XDPBPZMFMPIPCA-OAHLLOKOSA-N 0 3 311.389 2.449 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cc2n(n1)CCCO2 ZINC000594361109 358248406 /nfs/dbraw/zinc/24/84/06/358248406.db2.gz VZICLTSAAVOSRC-HNNXBMFYSA-N 0 3 324.384 2.054 20 30 DEEDHN CC(C)n1cc(CNC(=O)C(C#N)CCc2ccccc2)nn1 ZINC000594361752 358248561 /nfs/dbraw/zinc/24/85/61/358248561.db2.gz QMCGCELZWPUEDT-HNNXBMFYSA-N 0 3 311.389 2.248 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000594284267 358238463 /nfs/dbraw/zinc/23/84/63/358238463.db2.gz TXUFHBSAIYAYGQ-YQQAZPJKSA-N 0 3 304.438 2.339 20 30 DEEDHN COc1ccc(CN(C)C(=O)[C@@H](N)CCCCC#N)cc1C ZINC000594439242 358270273 /nfs/dbraw/zinc/27/02/73/358270273.db2.gz OUDPRJHJXCHTCZ-HNNXBMFYSA-N 0 3 303.406 2.373 20 30 DEEDHN C=CCCSCCNCc1cnc(N2CCOCC2)s1 ZINC000594959978 358368405 /nfs/dbraw/zinc/36/84/05/358368405.db2.gz HEZRXTCVGQTLRW-UHFFFAOYSA-N 0 3 313.492 2.379 20 30 DEEDHN CCCn1nccc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594922214 358358492 /nfs/dbraw/zinc/35/84/92/358358492.db2.gz DWPPBHHZYDYESL-UHFFFAOYSA-N 0 3 324.432 2.318 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnn1CCN(C)C ZINC000667151442 540403409 /nfs/dbraw/zinc/40/34/09/540403409.db2.gz KYUWNDTVAQPRAA-OKILXGFUSA-N 0 3 303.410 2.160 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCc1ccc(C#N)cc1 ZINC000595444272 358450928 /nfs/dbraw/zinc/45/09/28/358450928.db2.gz MIDZWXJONULPSZ-OAHLLOKOSA-N 0 3 314.433 2.478 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595789309 358550641 /nfs/dbraw/zinc/55/06/41/358550641.db2.gz QQQPQWSWPPOTTM-OAGGEKHMSA-N 0 3 319.449 2.218 20 30 DEEDHN Cc1ccc(C#N)nc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000596190612 358635014 /nfs/dbraw/zinc/63/50/14/358635014.db2.gz UIKANECZEVWLRA-SFHVURJKSA-N 0 3 322.412 2.440 20 30 DEEDHN N#Cc1c(Cl)cccc1N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000596014601 358594021 /nfs/dbraw/zinc/59/40/21/358594021.db2.gz RQBGIFYJGLDZBA-LBPRGKRZSA-N 0 3 316.796 2.103 20 30 DEEDHN CN(C)C[C@@H](CO)Nc1c(C#N)cnc2c(Cl)cccc21 ZINC000596245487 358651146 /nfs/dbraw/zinc/65/11/46/358651146.db2.gz ZTRTVAQDFOCETG-NSHDSACASA-N 0 3 304.781 2.094 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2c(C#N)cnn2C)C1 ZINC000596257420 358653776 /nfs/dbraw/zinc/65/37/76/358653776.db2.gz ODQFQIXAQRBLJQ-HNNXBMFYSA-N 0 3 309.417 2.250 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)COc1ccc(C#N)cc1 ZINC000598262493 359140387 /nfs/dbraw/zinc/14/03/87/359140387.db2.gz LHXSCSZKQYUYME-OAHLLOKOSA-N 0 3 315.417 2.174 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598261744 359140462 /nfs/dbraw/zinc/14/04/62/359140462.db2.gz VGVOTBGZOLPQOW-CQSZACIVSA-N 0 3 300.406 2.112 20 30 DEEDHN Cc1ccccc1CN1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598584290 359250059 /nfs/dbraw/zinc/25/00/59/359250059.db2.gz GAZSJJNRXPYJAK-GOSISDBHSA-N 0 3 315.461 2.413 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000598591806 359253829 /nfs/dbraw/zinc/25/38/29/359253829.db2.gz CBRILCYOEXTBNV-RDJZCZTQSA-N 0 3 324.465 2.337 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598591503 359253878 /nfs/dbraw/zinc/25/38/78/359253878.db2.gz BTEOYVXKJLYZNZ-FUHWJXTLSA-N 0 3 315.461 2.493 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000598598718 359256297 /nfs/dbraw/zinc/25/62/97/359256297.db2.gz SZRQHPWGIXEFMM-UKRRQHHQSA-N 0 3 317.437 2.093 20 30 DEEDHN COc1ccc(CNC[C@H](O)CC(C)(C)C#N)c(OC)c1OC ZINC000598715036 359302972 /nfs/dbraw/zinc/30/29/72/359302972.db2.gz LSMVRURSQGQWMG-CYBMUJFWSA-N 0 3 322.405 2.103 20 30 DEEDHN CC(=O)N1CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c2ccccc21 ZINC000598726407 359306072 /nfs/dbraw/zinc/30/60/72/359306072.db2.gz SPNOTRXERGTBRP-GOEBONIOSA-N 0 3 315.417 2.375 20 30 DEEDHN CN(C)C(=O)Nc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598724981 359306857 /nfs/dbraw/zinc/30/68/57/359306857.db2.gz SMUFSHBLKYVGIC-HNNXBMFYSA-N 0 3 318.421 2.170 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000599053188 359391502 /nfs/dbraw/zinc/39/15/02/359391502.db2.gz FYXXMXOHMUEYOD-CYBMUJFWSA-N 0 3 306.797 2.105 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)C1CCCC1 ZINC000427977143 237049848 /nfs/dbraw/zinc/04/98/48/237049848.db2.gz XRLCTPHWWSCZPW-SJORKVTESA-N 0 3 300.402 2.426 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](C)CC(F)F ZINC001162731436 799159715 /nfs/dbraw/zinc/15/97/15/799159715.db2.gz OJTWFCWCHLZYDD-QMMMGPOBSA-N 0 3 313.186 2.282 20 30 DEEDHN CN(Cc1cccc(OCCCC#N)c1)[C@H]1CCC(=O)N(C)C1 ZINC000600179220 359677619 /nfs/dbraw/zinc/67/76/19/359677619.db2.gz VTUJVDVFOHQMAJ-INIZCTEOSA-N 0 3 315.417 2.422 20 30 DEEDHN N#CCCn1cc(CN[C@H]2C[C@@H](CO)C2)c(-c2ccccc2)n1 ZINC000601139549 359937060 /nfs/dbraw/zinc/93/70/60/359937060.db2.gz FIAHOFVYIFOEBJ-KDYLLFBJSA-N 0 3 310.401 2.324 20 30 DEEDHN C=CCc1cc(CN(C)CC2(O)CCOCC2)cc(OC)c1O ZINC000188839401 200310714 /nfs/dbraw/zinc/31/07/14/200310714.db2.gz TWDLQCUIKFOAQB-UHFFFAOYSA-N 0 3 321.417 2.103 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@H]2CCCO2)CC1 ZINC000189213240 200364688 /nfs/dbraw/zinc/36/46/88/200364688.db2.gz SXVWWHSBPPJMIP-DOTOQJQBSA-N 0 3 306.450 2.467 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000601548283 360069598 /nfs/dbraw/zinc/06/95/98/360069598.db2.gz NPHYJCICDNVSJY-HOTGVXAUSA-N 0 3 319.380 2.217 20 30 DEEDHN CC1(C)CN(C[C@@H](O)COc2ccccc2C#N)[C@H]1C1CC1 ZINC000601956137 360208653 /nfs/dbraw/zinc/20/86/53/360208653.db2.gz FBCDAPZSIVLWHK-WBVHZDCISA-N 0 3 300.402 2.418 20 30 DEEDHN CSC[C@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602334457 360342407 /nfs/dbraw/zinc/34/24/07/360342407.db2.gz QRSKAYLZHSRLNK-RDJZCZTQSA-N 0 3 317.458 2.270 20 30 DEEDHN N#Cc1ccccc1N1CCCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000602448729 360378512 /nfs/dbraw/zinc/37/85/12/360378512.db2.gz OJXLTXMBBDCCTH-UHFFFAOYSA-N 0 3 308.385 2.371 20 30 DEEDHN CC(C)CN1CCO[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512229 360410852 /nfs/dbraw/zinc/41/08/52/360410852.db2.gz YAQNHAMWRFGJCC-IAGOWNOFSA-N 0 3 323.481 2.032 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc2n1CCC2)C(C)C ZINC000668682699 540709198 /nfs/dbraw/zinc/70/91/98/540709198.db2.gz MOSIJMSLOPVXIU-OAHLLOKOSA-N 0 3 316.449 2.258 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN(C)[C@@H](C)CC ZINC000668776264 540727722 /nfs/dbraw/zinc/72/77/22/540727722.db2.gz CUFGWIOSUQDZGX-XHSDSOJGSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@]1(C#N)CCCN(C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000602804773 360563930 /nfs/dbraw/zinc/56/39/30/360563930.db2.gz KLYQIVHAJHKFEN-MOPGFXCFSA-N 0 3 313.445 2.249 20 30 DEEDHN C[C@@H]1OCC[C@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000602759189 360538998 /nfs/dbraw/zinc/53/89/98/360538998.db2.gz QASNNZSRLPKYKW-KBPBESRZSA-N 0 3 303.381 2.244 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908027 360621287 /nfs/dbraw/zinc/62/12/87/360621287.db2.gz XUKDNBXPWZSNCU-MRXNPFEDSA-N 0 3 312.417 2.433 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000603079154 360691769 /nfs/dbraw/zinc/69/17/69/360691769.db2.gz RATCGQQUGVDJDV-CQSZACIVSA-N 0 3 302.353 2.303 20 30 DEEDHN Cc1nnc(N(C)CCCN(C)Cc2ccncc2)c(C#N)c1C ZINC000603400593 360817709 /nfs/dbraw/zinc/81/77/09/360817709.db2.gz LVUBZCUIKPPQPC-UHFFFAOYSA-N 0 3 324.432 2.318 20 30 DEEDHN CCOC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000604273714 360893900 /nfs/dbraw/zinc/89/39/00/360893900.db2.gz BUXKVFDEWIQVKM-UHFFFAOYSA-N 0 3 307.419 2.449 20 30 DEEDHN C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)N1CCCC1 ZINC000609188040 361288037 /nfs/dbraw/zinc/28/80/37/361288037.db2.gz NOODMMLTQUFUAT-AWEZNQCLSA-N 0 3 310.401 2.379 20 30 DEEDHN COc1ccc(CNC2CCN(CC#N)CC2)c(Cl)c1OC ZINC000609334775 361302845 /nfs/dbraw/zinc/30/28/45/361302845.db2.gz GXNIEILGVRUNDX-UHFFFAOYSA-N 0 3 323.824 2.435 20 30 DEEDHN CCN1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000610368506 361390411 /nfs/dbraw/zinc/39/04/11/361390411.db2.gz CXSYWMVQVXKTPY-UHFFFAOYSA-N 0 3 311.389 2.136 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2nc(C)cc(C)c2C#N)CC1 ZINC000610514948 361413642 /nfs/dbraw/zinc/41/36/42/361413642.db2.gz QSLGZZPHQUSUMS-HNNXBMFYSA-N 0 3 301.438 2.008 20 30 DEEDHN COc1nc2ccccc2cc1CNC1CCN(CC#N)CC1 ZINC000611203164 361547366 /nfs/dbraw/zinc/54/73/66/361547366.db2.gz KVWDMLRCVMNPLK-UHFFFAOYSA-N 0 3 310.401 2.321 20 30 DEEDHN C[C@@H](CCS(C)(=O)=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393356 361591199 /nfs/dbraw/zinc/59/11/99/361591199.db2.gz HPJSWRRZJRGFBK-BLLLJJGKSA-N 0 3 306.431 2.348 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000611523477 361622740 /nfs/dbraw/zinc/62/27/40/361622740.db2.gz MKHDOWGTXYGOBV-JLJPHGGASA-N 0 3 312.417 2.355 20 30 DEEDHN CS(=O)(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000447535823 239005910 /nfs/dbraw/zinc/00/59/10/239005910.db2.gz IRCHTWMZXVMOEU-GXTWGEPZSA-N 0 3 307.419 2.230 20 30 DEEDHN C=C[C@](C)(O)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000612045300 361729786 /nfs/dbraw/zinc/72/97/86/361729786.db2.gz RQSMSWIEYCKDIR-HFTRVMKXSA-N 0 3 302.418 2.093 20 30 DEEDHN C=C[C@H](NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)OC ZINC000619700945 363860086 /nfs/dbraw/zinc/86/00/86/363860086.db2.gz QQRCCWRTGPRVMV-ZFWWWQNUSA-N 0 3 308.447 2.277 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](C)NC2CC2)cc(OC)c1OC ZINC000449110900 240062728 /nfs/dbraw/zinc/06/27/28/240062728.db2.gz HNKLCMQGXZFMCS-LBPRGKRZSA-N 0 3 318.417 2.189 20 30 DEEDHN C=CCOc1ccc(CNCCN2CC[C@@H](O)C2)cc1Cl ZINC000623758199 365163026 /nfs/dbraw/zinc/16/30/26/365163026.db2.gz SGQGBUJVHLGAEC-CQSZACIVSA-N 0 3 310.825 2.061 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000092070430 193151986 /nfs/dbraw/zinc/15/19/86/193151986.db2.gz UTCLDDFRTFBNDU-KRWDZBQOSA-N 0 3 310.401 2.202 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)CCN1C ZINC000330228154 297320538 /nfs/dbraw/zinc/32/05/38/297320538.db2.gz VFMWYJVKDPXEJL-KFWWJZLASA-N 0 3 309.454 2.465 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000677478625 541594675 /nfs/dbraw/zinc/59/46/75/541594675.db2.gz BYLWAIFHKYVOIZ-KRWDZBQOSA-N 0 3 302.418 2.126 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2[nH]ncc2C(F)(F)F)CC1 ZINC000630942315 367923807 /nfs/dbraw/zinc/92/38/07/367923807.db2.gz IXISORQAEFZSRI-UHFFFAOYSA-N 0 3 316.327 2.199 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000451492178 243028042 /nfs/dbraw/zinc/02/80/42/243028042.db2.gz CJQVAWKYGVLAIB-KNXALSJPSA-N 0 3 301.390 2.146 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000451599213 243182587 /nfs/dbraw/zinc/18/25/87/243182587.db2.gz OCILPIIRFWDMPH-KOZAUXTDSA-N 0 3 306.381 2.325 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCO)C2)CCCCC1 ZINC000452383197 244234066 /nfs/dbraw/zinc/23/40/66/244234066.db2.gz BMROMNNGFVALHT-MRXNPFEDSA-N 0 3 308.466 2.476 20 30 DEEDHN COC(=O)[C@]1(C)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093813651 193312217 /nfs/dbraw/zinc/31/22/17/193312217.db2.gz IKXGPEJFGWWOFJ-SUMWQHHRSA-N 0 3 302.374 2.362 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453424264 245127092 /nfs/dbraw/zinc/12/70/92/245127092.db2.gz IFVUQHWQTFTHIB-GJZGRUSLSA-N 0 3 319.453 2.235 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN(CCO)CCCO)cc1 ZINC000264642868 204048690 /nfs/dbraw/zinc/04/86/90/204048690.db2.gz VTNIFPWLQHOIRK-UHFFFAOYSA-N 0 3 310.397 2.402 20 30 DEEDHN COC(=O)[C@]1(C)CN(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000282483217 217028404 /nfs/dbraw/zinc/02/84/04/217028404.db2.gz MLKAAQZMBMWVOK-CXAGYDPISA-N 0 3 302.374 2.068 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000266223881 205195962 /nfs/dbraw/zinc/19/59/62/205195962.db2.gz COOMAWYPALQYAE-KRWDZBQOSA-N 0 3 302.418 2.360 20 30 DEEDHN N#Cc1ccc(Cl)cc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267409544 206047892 /nfs/dbraw/zinc/04/78/92/206047892.db2.gz RLZZHRRQEKEYKE-ZDUSSCGKSA-N 0 3 305.809 2.370 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000456458688 247209752 /nfs/dbraw/zinc/20/97/52/247209752.db2.gz FBGFVFXVPNWPKC-IXDOHACOSA-N 0 3 300.402 2.426 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CO)[C@H](C)c1ccccc1 ZINC000680991714 542079195 /nfs/dbraw/zinc/07/91/95/542079195.db2.gz OYMKIKBSPHNCMI-WBVHZDCISA-N 0 3 304.434 2.165 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000458384089 248284522 /nfs/dbraw/zinc/28/45/22/248284522.db2.gz TYMDHIAIELUBNT-WBVHZDCISA-N 0 3 319.449 2.133 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000458326557 248262082 /nfs/dbraw/zinc/26/20/82/248262082.db2.gz ULIPAWWHBSFEQR-CYBMUJFWSA-N 0 3 318.421 2.188 20 30 DEEDHN CN(C)C/C=C\C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000492276810 249029020 /nfs/dbraw/zinc/02/90/20/249029020.db2.gz MVNYBAPXGZBZFN-LLPBQKLSSA-N 0 3 322.206 2.248 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cncc(OC)c2)CC1 ZINC000492522698 249081972 /nfs/dbraw/zinc/08/19/72/249081972.db2.gz QCTZKUIDJZIMHA-SNAWJCMRSA-N 0 3 315.417 2.260 20 30 DEEDHN Cc1ccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)nn1 ZINC000105800835 194131961 /nfs/dbraw/zinc/13/19/61/194131961.db2.gz VRLLNBGZOJNMSZ-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000106037700 194181405 /nfs/dbraw/zinc/18/14/05/194181405.db2.gz IMEOYXLQQPWOQT-JOCHJYFZSA-N 0 3 320.458 2.194 20 30 DEEDHN N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000269080510 207227245 /nfs/dbraw/zinc/22/72/45/207227245.db2.gz FGMPHUORMFRKDU-MSOLQXFVSA-N 0 3 322.412 2.248 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000270097699 208155561 /nfs/dbraw/zinc/15/55/61/208155561.db2.gz BGLLNUIJENFPJL-HNNXBMFYSA-N 0 3 312.417 2.111 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2scnc2C)CC1 ZINC000492736408 533045795 /nfs/dbraw/zinc/04/57/95/533045795.db2.gz BIGJXTMBSAZVHW-AATRIKPKSA-N 0 3 303.431 2.069 20 30 DEEDHN N#CCCn1cc(CN2CCC[C@@H](O)C2)c(-c2ccccc2)n1 ZINC000158750985 197299056 /nfs/dbraw/zinc/29/90/56/197299056.db2.gz GHQNZDLRNLCSTB-QGZVFWFLSA-N 0 3 310.401 2.420 20 30 DEEDHN C=CCCS(=O)(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000120268896 195131757 /nfs/dbraw/zinc/13/17/57/195131757.db2.gz WFQWJOIPJRSRKI-UHFFFAOYSA-N 0 3 310.463 2.476 20 30 DEEDHN CC#CCCN1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000156604783 197126638 /nfs/dbraw/zinc/12/66/38/197126638.db2.gz VGKUBGHMNVLQBD-UHFFFAOYSA-N 0 3 315.417 2.184 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000246807214 533173873 /nfs/dbraw/zinc/17/38/73/533173873.db2.gz RIYUUSHGNBMMMV-HOCLYGCPSA-N 0 3 317.408 2.451 20 30 DEEDHN N#Cc1cc(CN2CCC[C@@H](CN3CCOCC3)C2)ccc1F ZINC000120792861 195238135 /nfs/dbraw/zinc/23/81/35/195238135.db2.gz DAGISHFRIUSNEW-INIZCTEOSA-N 0 3 317.408 2.242 20 30 DEEDHN COC(=O)CCN1CCN(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000444677155 533425752 /nfs/dbraw/zinc/42/57/52/533425752.db2.gz VVTSBXZAHWWJFC-HNNXBMFYSA-N 0 3 309.454 2.276 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc(Cl)c2)CCN1C ZINC000330901067 533598188 /nfs/dbraw/zinc/59/81/88/533598188.db2.gz KFURQRXIDPCQLA-RISCZKNCSA-N 0 3 323.824 2.244 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCC#Cc2cccc(F)c2)CN1C1CC1 ZINC000338039431 533616707 /nfs/dbraw/zinc/61/67/07/533616707.db2.gz BTYIIHSWTIKXMJ-CZUORRHYSA-N 0 3 315.392 2.102 20 30 DEEDHN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCCOC1 ZINC000355345973 133019499 /nfs/dbraw/zinc/01/94/99/133019499.db2.gz NKEKTHMFRUXPDU-IACUBPJLSA-N 0 3 319.430 2.130 20 30 DEEDHN C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 ZINC000355345819 133019757 /nfs/dbraw/zinc/01/97/57/133019757.db2.gz KPVVDWOPWKXUOR-YSVLISHTSA-N 0 3 313.401 2.068 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377715189 133343064 /nfs/dbraw/zinc/34/30/64/133343064.db2.gz BJJZZRLFCTXNRD-LPHOPBHVSA-N 0 3 312.461 2.331 20 30 DEEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCO1 ZINC000248508931 145157211 /nfs/dbraw/zinc/15/72/11/145157211.db2.gz YLVHBWFRYLNDBF-RRQGHBQHSA-N 0 3 313.401 2.211 20 30 DEEDHN Cc1cc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1C#N ZINC000550503138 285872319 /nfs/dbraw/zinc/87/23/19/285872319.db2.gz XTBPXQYNHOSYRO-MSOLQXFVSA-N 0 3 300.402 2.276 20 30 DEEDHN C[C@@H]1C[C@H](CC[NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)CCO1 ZINC000329894951 404486296 /nfs/dbraw/zinc/48/62/96/404486296.db2.gz KIARRQDPBDRTCR-KFWWJZLASA-N 0 3 320.437 2.154 20 30 DEEDHN C[C@@H]1C[C@H](CCNC([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CCO1 ZINC000329894951 404486301 /nfs/dbraw/zinc/48/63/01/404486301.db2.gz KIARRQDPBDRTCR-KFWWJZLASA-N 0 3 320.437 2.154 20 30 DEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000565436400 292162152 /nfs/dbraw/zinc/16/21/52/292162152.db2.gz QRVSAAICDVQLBX-SJORKVTESA-N 0 3 304.365 2.107 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)NC1CCN(C)CC1 ZINC000111797355 401724220 /nfs/dbraw/zinc/72/42/20/401724220.db2.gz YCXZUZVQWXYQAS-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CN1C1CC1 ZINC000127681798 401745713 /nfs/dbraw/zinc/74/57/13/401745713.db2.gz YJNMHLSNCYCXSD-XJKSGUPXSA-N 0 3 312.417 2.325 20 30 DEEDHN N#CCNC(=O)CN(CCc1ccc(Cl)cc1)CC1CC1 ZINC000071909873 401696352 /nfs/dbraw/zinc/69/63/52/401696352.db2.gz GBTPAEBVALDAAR-UHFFFAOYSA-N 0 3 305.809 2.234 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)C[C@@H]1CCCO1 ZINC000076745129 401799397 /nfs/dbraw/zinc/79/93/97/401799397.db2.gz QAFPFCUYFUWNEA-IRXDYDNUSA-N 0 3 305.418 2.266 20 30 DEEDHN C=C(C)CN(CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000114712585 401807266 /nfs/dbraw/zinc/80/72/66/401807266.db2.gz BDFLOFKFHZNIFA-UHFFFAOYSA-N 0 3 318.377 2.010 20 30 DEEDHN CN(C)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000112601372 401750381 /nfs/dbraw/zinc/75/03/81/401750381.db2.gz YPUOIEMMUOBYFC-CQSZACIVSA-N 0 3 320.824 2.176 20 30 DEEDHN C=CCN(CCCN1CCOCC1)Cc1ccc(OC)cc1 ZINC000075643605 401765438 /nfs/dbraw/zinc/76/54/38/401765438.db2.gz RJJHFEQKXYRUGG-UHFFFAOYSA-N 0 3 304.434 2.406 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](COC)C2)CC1 ZINC000113617948 401784142 /nfs/dbraw/zinc/78/41/42/401784142.db2.gz YCINOLRYQKFJAT-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)[nH]c1=O)C(C)C ZINC000076483477 401796566 /nfs/dbraw/zinc/79/65/66/401796566.db2.gz BUJVAUGQEGLLML-MRXNPFEDSA-N 0 3 317.433 2.112 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000024750355 401830522 /nfs/dbraw/zinc/83/05/22/401830522.db2.gz FAQRPJCDQWGZNS-UKRRQHHQSA-N 0 3 303.406 2.374 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(CO)CC1)C(C)C ZINC000079440243 401873246 /nfs/dbraw/zinc/87/32/46/401873246.db2.gz PAZRRAWKJSXJEN-KRWDZBQOSA-N 0 3 323.481 2.099 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000077390066 401813648 /nfs/dbraw/zinc/81/36/48/401813648.db2.gz TYQVQINBNQVABO-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2CCN(C(=O)CC)C2)cc1 ZINC000134529919 401905377 /nfs/dbraw/zinc/90/53/77/401905377.db2.gz XNJZJYMCKZTTNU-MRXNPFEDSA-N 0 3 300.402 2.189 20 30 DEEDHN CCN(CC)C(=O)C[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000090106562 401979956 /nfs/dbraw/zinc/97/99/56/401979956.db2.gz SBZYTXHBJLNNGP-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C#CCOc1ccccc1CN1CCC[C@@H](C(=O)NCCC)C1 ZINC000092734214 402008355 /nfs/dbraw/zinc/00/83/55/402008355.db2.gz OHFITPWLJZUSFT-QGZVFWFLSA-N 0 3 314.429 2.437 20 30 DEEDHN COCCCOC1CCN(CCOc2ccccc2C#N)CC1 ZINC000122460838 402079259 /nfs/dbraw/zinc/07/92/59/402079259.db2.gz YVKLUBRIQPRBTI-UHFFFAOYSA-N 0 3 318.417 2.455 20 30 DEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000154275596 402203311 /nfs/dbraw/zinc/20/33/11/402203311.db2.gz IUZQFRHEFMSPGG-NWDGAFQWSA-N 0 3 305.328 2.145 20 30 DEEDHN CC(C)(C)CNC(=O)C(C)(C)NCCOc1cccc(C#N)c1 ZINC000155531869 402259482 /nfs/dbraw/zinc/25/94/82/402259482.db2.gz GIXSXDZUMPTHHZ-UHFFFAOYSA-N 0 3 317.433 2.468 20 30 DEEDHN CC#CCCN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000155944381 402271117 /nfs/dbraw/zinc/27/11/17/402271117.db2.gz KMEFVGUXKYVFHS-UHFFFAOYSA-N 0 3 302.393 2.316 20 30 DEEDHN C=CCCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000156974421 402290087 /nfs/dbraw/zinc/29/00/87/402290087.db2.gz GUONOCKRNFBMLQ-UHFFFAOYSA-N 0 3 317.433 2.246 20 30 DEEDHN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185782446 402376688 /nfs/dbraw/zinc/37/66/88/402376688.db2.gz ZODAGJIKYYKCBT-CABCVRRESA-N 0 3 321.446 2.109 20 30 DEEDHN CN(C)C(=O)COc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185785456 402377247 /nfs/dbraw/zinc/37/72/47/402377247.db2.gz OBBQVFWDSWDOIV-ZBFHGGJFSA-N 0 3 315.417 2.326 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161407116 402386493 /nfs/dbraw/zinc/38/64/93/402386493.db2.gz WYMMHFAAADKSBY-MRXNPFEDSA-N 0 3 307.401 2.476 20 30 DEEDHN C=CCOc1ccc(CNC[C@@]2(O)CCSC2)cc1OC ZINC000176759497 402334414 /nfs/dbraw/zinc/33/44/14/402334414.db2.gz RYLLUBXWAJAGNZ-INIZCTEOSA-N 0 3 309.431 2.218 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186066074 402399005 /nfs/dbraw/zinc/39/90/05/402399005.db2.gz CFYHYXFXNZGANK-KRWDZBQOSA-N 0 3 322.474 2.393 20 30 DEEDHN Cc1cc(C#N)ccc1CN(C)C[C@@H](O)COCCOC(C)C ZINC000186220707 402412273 /nfs/dbraw/zinc/41/22/73/402412273.db2.gz NDNFWTXEMVYNSE-GOSISDBHSA-N 0 3 320.433 2.101 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000177527066 402412956 /nfs/dbraw/zinc/41/29/56/402412956.db2.gz LJGWCSBEPBALJI-YCPHGPKFSA-N 0 3 315.417 2.265 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000186458472 402432573 /nfs/dbraw/zinc/43/25/73/402432573.db2.gz PPGKPMPCASIATN-ZDUSSCGKSA-N 0 3 300.406 2.138 20 30 DEEDHN CN(CCN(C)C1CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000186733682 402460969 /nfs/dbraw/zinc/46/09/69/402460969.db2.gz MRGFPDJIUTXPHU-UHFFFAOYSA-N 0 3 311.389 2.134 20 30 DEEDHN COc1cccc(OCCN2CCN(CCCCC#N)CC2)c1 ZINC000164494788 402462954 /nfs/dbraw/zinc/46/29/54/402462954.db2.gz FMLGHKCQPBZKGT-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245570569 402471190 /nfs/dbraw/zinc/47/11/90/402471190.db2.gz GMYAGKIXZYKISS-MIFYACCESA-N 0 3 309.454 2.282 20 30 DEEDHN N#Cc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)cn1 ZINC000165672584 402477957 /nfs/dbraw/zinc/47/79/57/402477957.db2.gz KARUHRCSZXZRGN-QGZVFWFLSA-N 0 3 300.406 2.034 20 30 DEEDHN C[C@H](NCc1ccc(C#N)cc1F)C1CCS(=O)(=O)CC1 ZINC000187173857 402486203 /nfs/dbraw/zinc/48/62/03/402486203.db2.gz BXBFTCIQRUUGRB-NSHDSACASA-N 0 3 310.394 2.000 20 30 DEEDHN C[C@@H](NC(=O)c1ccc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000187200377 402487708 /nfs/dbraw/zinc/48/77/08/402487708.db2.gz SUEXVVMHVUPLNY-DYVFJYSZSA-N 0 3 308.385 2.374 20 30 DEEDHN Cn1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2ccc(C#N)cc2)n1 ZINC000170069217 402503042 /nfs/dbraw/zinc/50/30/42/402503042.db2.gz CKCAKBPJXYRQMJ-ZACQAIPSSA-N 0 3 308.385 2.368 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000190016256 402570761 /nfs/dbraw/zinc/57/07/61/402570761.db2.gz GPGSDTXWBNSZPN-DOTOQJQBSA-N 0 3 306.381 2.353 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000179106383 402573127 /nfs/dbraw/zinc/57/31/27/402573127.db2.gz COLOLSXJMIBGGG-GOSISDBHSA-N 0 3 310.401 2.383 20 30 DEEDHN COc1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1C#N ZINC000179209554 402581095 /nfs/dbraw/zinc/58/10/95/402581095.db2.gz IVCICSPBHASETN-CQSZACIVSA-N 0 3 302.374 2.152 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(CCOCC)CC2)CC1 ZINC000179218920 402582315 /nfs/dbraw/zinc/58/23/15/402582315.db2.gz KRKPXQLMRIDERH-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000179954897 402604112 /nfs/dbraw/zinc/60/41/12/402604112.db2.gz XKKAAVZXVKTVRM-LBPRGKRZSA-N 0 3 307.369 2.247 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000171723085 402615059 /nfs/dbraw/zinc/61/50/59/402615059.db2.gz YQAGSVLAZNMELP-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000171740018 402617026 /nfs/dbraw/zinc/61/70/26/402617026.db2.gz ITAPJGZMRJOUEX-UHFFFAOYSA-N 0 3 317.389 2.245 20 30 DEEDHN C=CCN(CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191137834 402644804 /nfs/dbraw/zinc/64/48/04/402644804.db2.gz RYQKGNNXBURQTK-UHFFFAOYSA-N 0 3 307.350 2.058 20 30 DEEDHN C[C@@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181875881 402659349 /nfs/dbraw/zinc/65/93/49/402659349.db2.gz QQOIQMCGXMTJKW-GRDNDAEWSA-N 0 3 304.390 2.434 20 30 DEEDHN CC[C@@H](C#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000172286108 402647996 /nfs/dbraw/zinc/64/79/96/402647996.db2.gz BQXMZOMVOLEKQC-INIZCTEOSA-N 0 3 314.433 2.007 20 30 DEEDHN COc1cc(OC)cc(OCCNCc2cc(C#N)n(C)c2)c1 ZINC000191345768 402662498 /nfs/dbraw/zinc/66/24/98/402662498.db2.gz 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ZINC000347130841 403617648 /nfs/dbraw/zinc/61/76/48/403617648.db2.gz YCMCDAXASGWZCX-CQSZACIVSA-N 0 3 304.390 2.262 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C(C)=C/c1ccc(OC)c(F)c1 ZINC000294022516 403626142 /nfs/dbraw/zinc/62/61/42/403626142.db2.gz QSMBZLALJRGGJG-WYMLVPIESA-N 0 3 318.392 2.309 20 30 DEEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000332854834 403626830 /nfs/dbraw/zinc/62/68/30/403626830.db2.gz QIOKPWLNHAILQA-GBJTYRQASA-N 0 3 319.449 2.121 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)Oc1ccccc1F ZINC000294032231 403629331 /nfs/dbraw/zinc/62/93/31/403629331.db2.gz ROWHIDUPOSATND-OAHLLOKOSA-N 0 3 306.381 2.054 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC000294046392 403632267 /nfs/dbraw/zinc/63/22/67/403632267.db2.gz SYLSGUXBNFHNPU-UHFFFAOYSA-N 0 3 304.438 2.238 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCSc1ccc(F)cc1 ZINC000294055147 403635999 /nfs/dbraw/zinc/63/59/99/403635999.db2.gz UNKPKXRHVLBDQV-UHFFFAOYSA-N 0 3 308.422 2.379 20 30 DEEDHN C=CCC[C@@H](NCC1(OCCO)CCOCC1)c1ccco1 ZINC000287727750 403656230 /nfs/dbraw/zinc/65/62/30/403656230.db2.gz YFSCTJDZGADJGW-OAHLLOKOSA-N 0 3 309.406 2.435 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(OC)OC)o2)CC1 ZINC000287780005 403665084 /nfs/dbraw/zinc/66/50/84/403665084.db2.gz YNGLCSKVDVFMJR-UHFFFAOYSA-N 0 3 322.405 2.341 20 30 DEEDHN C=CCNC(=O)CN[C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000347337278 403670123 /nfs/dbraw/zinc/67/01/23/403670123.db2.gz LKNROKTXXYKMKD-HNNXBMFYSA-N 0 3 303.362 2.122 20 30 DEEDHN C[C@H]1[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCN1C ZINC000343581366 403649972 /nfs/dbraw/zinc/64/99/72/403649972.db2.gz ZBMLTURWPZXHML-XJKSGUPXSA-N 0 3 315.417 2.315 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000288746412 403764238 /nfs/dbraw/zinc/76/42/38/403764238.db2.gz KDCJGSVVTUBNET-DOTOQJQBSA-N 0 3 311.429 2.457 20 30 DEEDHN C#C[C@H](NC(=O)c1ccccc1OCCN(C)C)C(C)(C)C ZINC000288072606 403719410 /nfs/dbraw/zinc/71/94/10/403719410.db2.gz FEPUHABJYKNCFW-INIZCTEOSA-N 0 3 302.418 2.405 20 30 DEEDHN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)[C@H]1CC[C@H](C#N)C1 ZINC000294430800 403719582 /nfs/dbraw/zinc/71/95/82/403719582.db2.gz FABDNVLHRPHGAV-AJNGGQMLSA-N 0 3 303.385 2.017 20 30 DEEDHN CN(CC(=O)N(CCC#N)CCC#N)C1CCC(F)(F)CC1 ZINC000347604901 403771468 /nfs/dbraw/zinc/77/14/68/403771468.db2.gz TUIGZIUFLRQVPQ-UHFFFAOYSA-N 0 3 312.364 2.152 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000351631590 403816945 /nfs/dbraw/zinc/81/69/45/403816945.db2.gz GQEBCXPZKUKTBD-KRWDZBQOSA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000361716361 403820225 /nfs/dbraw/zinc/82/02/25/403820225.db2.gz HPXUOSRAOOSIMI-BBRMVZONSA-N 0 3 318.417 2.473 20 30 DEEDHN COc1cccc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)c1 ZINC000347752390 403844255 /nfs/dbraw/zinc/84/42/55/403844255.db2.gz HTKSDBXGRJHLGO-VHSXEESVSA-N 0 3 300.318 2.082 20 30 DEEDHN COc1ccccc1-c1noc([C@H](C)NC(=O)C(C)C#N)n1 ZINC000347752482 403846517 /nfs/dbraw/zinc/84/65/17/403846517.db2.gz 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/nfs/dbraw/zinc/95/44/87/403954487.db2.gz SZDSPBQHLMOMFY-GDBMZVCRSA-N 0 3 300.402 2.271 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H](CO)C2CCCC2)cc1Cl ZINC000289421344 403955119 /nfs/dbraw/zinc/95/51/19/403955119.db2.gz CFDISQYNOFXKHS-OAHLLOKOSA-N 0 3 321.808 2.291 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(C2OCCO2)s1 ZINC000289873533 404006592 /nfs/dbraw/zinc/00/65/92/404006592.db2.gz WIFIMPBMSYBODS-RISCZKNCSA-N 0 3 310.419 2.259 20 30 DEEDHN C=CCOCCCN1CCCN(c2nc(CC)ns2)CC1 ZINC000348049548 404022815 /nfs/dbraw/zinc/02/28/15/404022815.db2.gz OMSRFSUUGGXZMT-UHFFFAOYSA-N 0 3 310.467 2.205 20 30 DEEDHN CN(C[C@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)o1 ZINC000348086374 404037150 /nfs/dbraw/zinc/03/71/50/404037150.db2.gz YZFYQIXDPPDZII-PBHICJAKSA-N 0 3 324.384 2.311 20 30 DEEDHN C=C[C@H](C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000354840306 404046917 /nfs/dbraw/zinc/04/69/17/404046917.db2.gz HDSSXWPCDHNITF-AWEZNQCLSA-N 0 3 312.417 2.416 20 30 DEEDHN CO[C@@H]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348395511 404065692 /nfs/dbraw/zinc/06/56/92/404065692.db2.gz HTJBQHMMWOXXJP-GVDBMIGSSA-N 0 3 311.385 2.172 20 30 DEEDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000296056451 404071291 /nfs/dbraw/zinc/07/12/91/404071291.db2.gz FZECHVHGRYJMKZ-SUMWQHHRSA-N 0 3 319.405 2.500 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CO)[C@H]1C ZINC000412098197 404133588 /nfs/dbraw/zinc/13/35/88/404133588.db2.gz VNEOFTFTVZXCRE-UKRRQHHQSA-N 0 3 304.390 2.038 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328708186 404134472 /nfs/dbraw/zinc/13/44/72/404134472.db2.gz QHKBGBFTIDUUQW-IVSAIRAKSA-N 0 3 324.465 2.383 20 30 DEEDHN CC(C)N1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328711440 404137338 /nfs/dbraw/zinc/13/73/38/404137338.db2.gz RJEBRBHBVSHOPL-CQSZACIVSA-N 0 3 322.453 2.358 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000296214882 404148080 /nfs/dbraw/zinc/14/80/80/404148080.db2.gz WPFKLXWIXOWYCB-KNXALSJPSA-N 0 3 301.390 2.146 20 30 DEEDHN C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328812655 404155723 /nfs/dbraw/zinc/15/57/23/404155723.db2.gz NBQRJZMCMFEBGN-BVUBDWEXSA-N 0 3 310.438 2.136 20 30 DEEDHN CCc1onc(C)c1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000328810060 404156008 /nfs/dbraw/zinc/15/60/08/404156008.db2.gz DQVTYHSVDRCCTM-CQSZACIVSA-N 0 3 312.439 2.309 20 30 DEEDHN C#CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363305228 404147041 /nfs/dbraw/zinc/14/70/41/404147041.db2.gz ANJSBMLKOIVNLM-IBGZPJMESA-N 0 3 311.429 2.317 20 30 DEEDHN C[C@H](NC(C)(C)CNC(=O)[C@@H]1COCCN1C)c1ccccc1 ZINC000329052631 404214521 /nfs/dbraw/zinc/21/45/21/404214521.db2.gz WXUFFIXUKHFZHZ-HOCLYGCPSA-N 0 3 319.449 2.403 20 30 DEEDHN CCc1noc(C)c1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000328872736 404165614 /nfs/dbraw/zinc/16/56/14/404165614.db2.gz YPSOPLLFNLNSKG-CQSZACIVSA-N 0 3 312.439 2.309 20 30 DEEDHN CN1CCC2(CCN(Cc3cc(C#N)ccc3F)CC2)C1=O ZINC000369692347 404194912 /nfs/dbraw/zinc/19/49/12/404194912.db2.gz IUVINVJVZYYNMD-UHFFFAOYSA-N 0 3 301.365 2.142 20 30 DEEDHN CN1C[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H](c2ccccc2)C1 ZINC000329003110 404196794 /nfs/dbraw/zinc/19/67/94/404196794.db2.gz HKEOCXVTETVYAD-NJAFHUGGSA-N 0 3 324.428 2.500 20 30 DEEDHN CN1CCN(CCC(C)(C)NC(=O)c2ncoc2C2CC2)CC1 ZINC000329123765 404237953 /nfs/dbraw/zinc/23/79/53/404237953.db2.gz LOCVEKDJCLRRCF-UHFFFAOYSA-N 0 3 320.437 2.273 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000329196016 404260391 /nfs/dbraw/zinc/26/03/91/404260391.db2.gz VQEXZOBMZZEKBB-HZSPNIEDSA-N 0 3 301.390 2.439 20 30 DEEDHN CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCC1=CCN(C)CC1 ZINC000329217461 404266996 /nfs/dbraw/zinc/26/69/96/404266996.db2.gz QEDCKPRNJWXIHO-OAHLLOKOSA-N 0 3 307.438 2.242 20 30 DEEDHN CN(C)c1nccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)n1 ZINC000329223030 404269003 /nfs/dbraw/zinc/26/90/03/404269003.db2.gz XIUVQFBTKORJPC-HNNXBMFYSA-N 0 3 317.437 2.406 20 30 DEEDHN Cc1noc([C@@H]2CCCN2C(=O)NCCN2CCC[C@@H](C)C2)n1 ZINC000329224898 404271538 /nfs/dbraw/zinc/27/15/38/404271538.db2.gz CRZZCJAHWSCMGO-OCCSQVGLSA-N 0 3 321.425 2.161 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CNc1cccc(C#N)c1 ZINC000344659041 404290282 /nfs/dbraw/zinc/29/02/82/404290282.db2.gz HFKHADROGWZHFG-MRXNPFEDSA-N 0 3 314.433 2.207 20 30 DEEDHN CCc1cnc(CCNC(=O)N[C@@H](C)C2=CCN(C)CC2)s1 ZINC000329299861 404294829 /nfs/dbraw/zinc/29/48/29/404294829.db2.gz MFSPNRORQKZRTN-LBPRGKRZSA-N 0 3 322.478 2.402 20 30 DEEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)CN2CCCCC2)no1 ZINC000329391217 404323177 /nfs/dbraw/zinc/32/31/77/404323177.db2.gz RPUKUBNPJXACLH-OCCSQVGLSA-N 0 3 321.425 2.303 20 30 DEEDHN C[C@@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000329388866 404323363 /nfs/dbraw/zinc/32/33/63/404323363.db2.gz ROECVYURYABCKT-QKPAOTATSA-N 0 3 311.470 2.426 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2CCCOC2)CC1 ZINC000355731077 404363414 /nfs/dbraw/zinc/36/34/14/404363414.db2.gz LMOPEDCCCYEFEJ-CABCVRRESA-N 0 3 309.454 2.141 20 30 DEEDHN CS[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H]1N1CCCC1 ZINC000352472385 404395916 /nfs/dbraw/zinc/39/59/16/404395916.db2.gz CRUFOMNJQOUHKG-KBPBESRZSA-N 0 3 307.463 2.109 20 30 DEEDHN O=C(N[C@@H]1CCCC12CCOCC2)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329636597 404403822 /nfs/dbraw/zinc/40/38/22/404403822.db2.gz YGEDRTTURLZDSG-IUODEOHRSA-N 0 3 318.421 2.120 20 30 DEEDHN O=C(N[C@@H]1CCCC12CCOCC2)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329636597 404403831 /nfs/dbraw/zinc/40/38/31/404403831.db2.gz YGEDRTTURLZDSG-IUODEOHRSA-N 0 3 318.421 2.120 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329713606 404430757 /nfs/dbraw/zinc/43/07/57/404430757.db2.gz RSTLIXNZFFPXBM-GZBFAFLISA-N 0 3 324.469 2.460 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000356276184 404419221 /nfs/dbraw/zinc/41/92/21/404419221.db2.gz IMZMPTQYSNSQPB-OLMNPRSZSA-N 0 3 304.434 2.430 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)c3cccc(F)c3C#N)C2)C1 ZINC000356277539 404419993 /nfs/dbraw/zinc/41/99/93/404419993.db2.gz INMDYWXOTFGBCK-KRWDZBQOSA-N 0 3 301.365 2.255 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CCC2)cc1 ZINC000350949195 404496738 /nfs/dbraw/zinc/49/67/38/404496738.db2.gz KJBFKOMGGWFBRV-LLVKDONJSA-N 0 3 321.402 2.294 20 30 DEEDHN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000329925926 404496912 /nfs/dbraw/zinc/49/69/12/404496912.db2.gz VURKIDLTIOYEKW-CFVMTHIKSA-N 0 3 322.453 2.212 20 30 DEEDHN C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CO1 ZINC000329975559 404512778 /nfs/dbraw/zinc/51/27/78/404512778.db2.gz YEXDRUWXSTYWFX-COXVUDFISA-N 0 3 318.417 2.135 20 30 DEEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1cc(C#N)ccc1C ZINC000352528823 404436594 /nfs/dbraw/zinc/43/65/94/404436594.db2.gz MBHQFVXPJJIFDP-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN Cn1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)nn1 ZINC000329750168 404440785 /nfs/dbraw/zinc/44/07/85/404440785.db2.gz HYRLPHZJBGFXRP-UHFFFAOYSA-N 0 3 305.426 2.166 20 30 DEEDHN C=CCC1(C(=O)N[C@H](CO)CN2CCCCC2)CCCCC1 ZINC000413803032 404440852 /nfs/dbraw/zinc/44/08/52/404440852.db2.gz VRERFIHAYPISOL-INIZCTEOSA-N 0 3 308.466 2.476 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000350730914 404453052 /nfs/dbraw/zinc/45/30/52/404453052.db2.gz WHEGZASCFNYOIA-ZIAGYGMSSA-N 0 3 303.454 2.336 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000342382230 404544951 /nfs/dbraw/zinc/54/49/51/404544951.db2.gz QEZNJQDFZSGXKF-LJQANCHMSA-N 0 3 322.412 2.311 20 30 DEEDHN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000330114593 404556671 /nfs/dbraw/zinc/55/66/71/404556671.db2.gz DZYUYPZVNCCHHJ-HUUCEWRRSA-N 0 3 317.437 2.261 20 30 DEEDHN O=C(NCc1nc(CO)cs1)[C@@H]1CCCN1C1CCCC1 ZINC000330289873 404616289 /nfs/dbraw/zinc/61/62/89/404616289.db2.gz FIALYGIEISFZAT-ZDUSSCGKSA-N 0 3 309.435 2.499 20 30 DEEDHN CS(=O)(=O)c1ccc(CNCCc2cccc(C#N)c2)s1 ZINC000414427837 404626286 /nfs/dbraw/zinc/62/62/86/404626286.db2.gz ACTFLSRYPVOFFD-UHFFFAOYSA-N 0 3 320.439 2.356 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000330339703 404630708 /nfs/dbraw/zinc/63/07/08/404630708.db2.gz WZDMGNLZXIRSDV-BZUAXINKSA-N 0 3 311.470 2.426 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(S(C)(=O)=O)s1 ZINC000414444517 404633968 /nfs/dbraw/zinc/63/39/68/404633968.db2.gz KVQXDJXVRCCRMC-SMDDNHRTSA-N 0 3 315.460 2.222 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CCCCN1CCCC ZINC000356784454 404690862 /nfs/dbraw/zinc/69/08/62/404690862.db2.gz UZOYAVHRYSKKOO-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000330575958 404692041 /nfs/dbraw/zinc/69/20/41/404692041.db2.gz QQZAOTUTZUXRET-MELADBBJSA-N 0 3 314.433 2.358 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000357096896 404728254 /nfs/dbraw/zinc/72/82/54/404728254.db2.gz YUZVMBOEUPYCOC-KFWWJZLASA-N 0 3 307.438 2.026 20 30 DEEDHN COc1cccc([C@@H](CNC(=O)C(C)C#N)N2CCCC2)c1 ZINC000357807175 404744876 /nfs/dbraw/zinc/74/48/76/404744876.db2.gz TZNDFIVOTATQDB-XJKSGUPXSA-N 0 3 301.390 2.108 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-n2ccc(C)n2)CC1 ZINC000366075228 404752480 /nfs/dbraw/zinc/75/24/80/404752480.db2.gz ULDFZNFHUBGVBQ-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C(C)C)C(C)(C)O)CC1 ZINC000358433244 404761766 /nfs/dbraw/zinc/76/17/66/404761766.db2.gz UBWDCBGCEXGYBO-OAHLLOKOSA-N 0 3 311.470 2.122 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCOC)[C@@H]2CC[C@H](C)C2)CC1 ZINC000358449949 404762870 /nfs/dbraw/zinc/76/28/70/404762870.db2.gz RUEGMHKCJGWDJK-DOTOQJQBSA-N 0 3 323.481 2.483 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC000375878118 404764930 /nfs/dbraw/zinc/76/49/30/404764930.db2.gz YOZRBRSLZITXSS-OAHLLOKOSA-N 0 3 316.424 2.302 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000358519680 404765341 /nfs/dbraw/zinc/76/53/41/404765341.db2.gz MOCJLGJGHLWSMO-PVAVHDDUSA-N 0 3 314.433 2.418 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415023467 404789420 /nfs/dbraw/zinc/78/94/20/404789420.db2.gz MXHMWQRYQJQLFI-VXGBXAGGSA-N 0 3 302.378 2.171 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)CC1CCC1 ZINC000359354821 404791018 /nfs/dbraw/zinc/79/10/18/404791018.db2.gz YNSWVHSGHJDKHE-IRXDYDNUSA-N 0 3 300.402 2.426 20 30 DEEDHN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000359468068 404794272 /nfs/dbraw/zinc/79/42/72/404794272.db2.gz WMLHFPWIYNNDSJ-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415115862 404810789 /nfs/dbraw/zinc/81/07/89/404810789.db2.gz AJELTUUNTPERRN-VHSXEESVSA-N 0 3 324.331 2.374 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000366706051 404835059 /nfs/dbraw/zinc/83/50/59/404835059.db2.gz XOQCWFUASRUXLD-HZPDHXFCSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCOc1cccc(CN(C)[C@H](C)CN2CCOCC2)c1 ZINC000435043339 404952952 /nfs/dbraw/zinc/95/29/52/404952952.db2.gz AWSDWRPGQJMPRX-MRXNPFEDSA-N 0 3 304.434 2.404 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000367179265 404957204 /nfs/dbraw/zinc/95/72/04/404957204.db2.gz FOSQUPKQLSEKLQ-INIZCTEOSA-N 0 3 308.447 2.004 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000424095759 405004917 /nfs/dbraw/zinc/00/49/17/405004917.db2.gz OAFLZNHNNUOMEZ-JTQLQIEISA-N 0 3 301.268 2.387 20 30 DEEDHN Cc1nc(C2(NC(=O)[C@@H](N)CCCC#N)CCCCCC2)no1 ZINC000424095711 405004989 /nfs/dbraw/zinc/00/49/89/405004989.db2.gz NXDITFZDSIZDPT-ZDUSSCGKSA-N 0 3 319.409 2.065 20 30 DEEDHN Cc1cc(C)n(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)n1 ZINC000424101051 405005665 /nfs/dbraw/zinc/00/56/65/405005665.db2.gz XTVFMYFRWHKWSH-INIZCTEOSA-N 0 3 311.389 2.449 20 30 DEEDHN COc1ccc(OC(C)C)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424112661 405009618 /nfs/dbraw/zinc/00/96/18/405009618.db2.gz KMMXGYJOCTXNSN-CYBMUJFWSA-N 0 3 305.378 2.442 20 30 DEEDHN COC(=O)c1cc(NC(=O)[C@@H](N)CCCC#N)cc(C)c1C ZINC000424113732 405010084 /nfs/dbraw/zinc/01/00/84/405010084.db2.gz OHRYUTPWRTXNPM-AWEZNQCLSA-N 0 3 303.362 2.050 20 30 DEEDHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCC#N)C12CCCCC2 ZINC000424120888 405012972 /nfs/dbraw/zinc/01/29/72/405012972.db2.gz HMARKEVXGUOJNP-RBSFLKMASA-N 0 3 307.438 2.252 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000451599606 405013943 /nfs/dbraw/zinc/01/39/43/405013943.db2.gz PCCHJNOXLHSXKN-KURKYZTESA-N 0 3 314.429 2.456 20 30 DEEDHN CCN(CC)[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccsc1 ZINC000424126947 405015149 /nfs/dbraw/zinc/01/51/49/405015149.db2.gz CIVQDZWMSRDSFM-CABCVRRESA-N 0 3 322.478 2.268 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(-n2ccnc2)c1 ZINC000424141593 405019412 /nfs/dbraw/zinc/01/94/12/405019412.db2.gz GQDSEYKPRSQIGL-CZUORRHYSA-N 0 3 311.389 2.071 20 30 DEEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000424142455 405020351 /nfs/dbraw/zinc/02/03/51/405020351.db2.gz IGISFVXKWCJTIJ-IRXDYDNUSA-N 0 3 314.433 2.135 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000424150856 405023743 /nfs/dbraw/zinc/02/37/43/405023743.db2.gz ZRLMYOZXPZWLNP-OAHLLOKOSA-N 0 3 312.417 2.271 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)C(C)C ZINC000417064455 405024162 /nfs/dbraw/zinc/02/41/62/405024162.db2.gz OQKYXVSSNJTZSA-BRWVUGGUSA-N 0 3 322.497 2.077 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000424186845 405033990 /nfs/dbraw/zinc/03/39/90/405033990.db2.gz HXWNYJJHBFOSHJ-KGLIPLIRSA-N 0 3 305.353 2.177 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000424192458 405035655 /nfs/dbraw/zinc/03/56/55/405035655.db2.gz OYPKMBHJGGYASF-INIZCTEOSA-N 0 3 318.396 2.250 20 30 DEEDHN CN(CCOc1ccccc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424060192 404989719 /nfs/dbraw/zinc/98/97/19/404989719.db2.gz HCELYDYGWHIPTQ-ZDUSSCGKSA-N 0 3 309.797 2.198 20 30 DEEDHN CCN(CC)C(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424075599 404996453 /nfs/dbraw/zinc/99/64/53/404996453.db2.gz JVEFNYOWQASHDM-OAHLLOKOSA-N 0 3 316.405 2.128 20 30 DEEDHN CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424076292 404996895 /nfs/dbraw/zinc/99/68/95/404996895.db2.gz LQUSKYPFGZONEC-ZDUSSCGKSA-N 0 3 311.332 2.268 20 30 DEEDHN CCN1C[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000408047630 405098328 /nfs/dbraw/zinc/09/83/28/405098328.db2.gz RJVKERCREOEMAE-CVEARBPZSA-N 0 3 320.481 2.086 20 30 DEEDHN CCCN(CC(=O)N(CC)CCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000354226885 405110829 /nfs/dbraw/zinc/11/08/29/405110829.db2.gz XUPGTPBZXMXOMQ-OIISXLGYSA-N 0 3 321.465 2.274 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000424700214 405153456 /nfs/dbraw/zinc/15/34/56/405153456.db2.gz RVLODQJBJUPIMI-LJQANCHMSA-N 0 3 316.445 2.342 20 30 DEEDHN COc1ccc(CN2C[C@H](C)[C@H](CO)C2)cc1OCCCC#N ZINC000361661709 405189286 /nfs/dbraw/zinc/18/92/86/405189286.db2.gz OHEDOWPFRCUAHS-HOCLYGCPSA-N 0 3 318.417 2.438 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418759635 405195579 /nfs/dbraw/zinc/19/55/79/405195579.db2.gz KLXWDVZEBWKEOX-GFCCVEGCSA-N 0 3 315.389 2.443 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)[C@]3(C#N)CC34CCCC4)C2)C1 ZINC000452153154 405196665 /nfs/dbraw/zinc/19/66/65/405196665.db2.gz QTYIASBRJVPDCT-FUHWJXTLSA-N 0 3 301.434 2.405 20 30 DEEDHN CN(C)CCN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419648311 405261513 /nfs/dbraw/zinc/26/15/13/405261513.db2.gz RNSWMRHSSOPCIX-MRXNPFEDSA-N 0 3 300.406 2.139 20 30 DEEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](CN)CCCC ZINC000420128044 405289762 /nfs/dbraw/zinc/28/97/62/405289762.db2.gz SUDIWNMEPBJBKB-INIZCTEOSA-N 0 3 323.481 2.215 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419964277 405275833 /nfs/dbraw/zinc/27/58/33/405275833.db2.gz IQVBFPMUNXJZNN-MRXNPFEDSA-N 0 3 323.481 2.215 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1OC ZINC000453026543 405276096 /nfs/dbraw/zinc/27/60/96/405276096.db2.gz GDAKOAUOGDMEFF-LSDHHAIUSA-N 0 3 316.401 2.036 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C1(C)C ZINC000439518525 405283883 /nfs/dbraw/zinc/28/38/83/405283883.db2.gz HAZAKGSRIBGECU-NILFDRSVSA-N 0 3 301.390 2.288 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cccn2)C1 ZINC001422906041 1172914997 /nfs/dbraw/zinc/91/49/97/1172914997.db2.gz QFJNLTGEGPSNDT-MGPQQGTHSA-N 0 3 310.829 2.071 20 30 DEEDHN C=CC[C@@H]1N(CC(=O)NCC(=O)NC(C)(C)C)CCCC1(C)C ZINC000444779246 405342350 /nfs/dbraw/zinc/34/23/50/405342350.db2.gz BGAOKHJYHCDBIZ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000454474192 405350734 /nfs/dbraw/zinc/35/07/34/405350734.db2.gz BNWGOOJYQKROMX-OAHLLOKOSA-N 0 3 321.421 2.076 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2-c2ccoc2)CC1 ZINC000447457783 405415107 /nfs/dbraw/zinc/41/51/07/405415107.db2.gz FEXOGGPAPQTDMX-UHFFFAOYSA-N 0 3 314.389 2.060 20 30 DEEDHN C[C@](C#N)(NC(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1)C1CC1 ZINC000428191677 405422305 /nfs/dbraw/zinc/42/23/05/405422305.db2.gz YSVZYOVBKSUOIL-QLKQHDGRSA-N 0 3 301.434 2.163 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCOC(C)(C)C2)CC1 ZINC000454538354 405360589 /nfs/dbraw/zinc/36/05/89/405360589.db2.gz HZWGRDFVHJGGHW-AWEZNQCLSA-N 0 3 309.454 2.141 20 30 DEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CNc1cccc(C#N)c1 ZINC000426606994 405370740 /nfs/dbraw/zinc/37/07/40/405370740.db2.gz BUPZAXAVYUVSBE-GJZGRUSLSA-N 0 3 314.433 2.349 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000429714168 405444784 /nfs/dbraw/zinc/44/47/84/405444784.db2.gz FWKVMOZEXBDHAR-INIZCTEOSA-N 0 3 315.461 2.404 20 30 DEEDHN N#Cc1ccc(CNCCc2nnc3n2CCCCC3)cc1F ZINC000421324488 405464201 /nfs/dbraw/zinc/46/42/01/405464201.db2.gz IBKNCBGDAXDDIC-UHFFFAOYSA-N 0 3 313.380 2.348 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000448947685 405468979 /nfs/dbraw/zinc/46/89/79/405468979.db2.gz ZIDZAWIVOSWLEO-INMHGKMJSA-N 0 3 300.402 2.097 20 30 DEEDHN CCO[C@H](CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000577599481 405476800 /nfs/dbraw/zinc/47/68/00/405476800.db2.gz ZHPBREOVHMRGRR-QGZVFWFLSA-N 0 3 317.433 2.264 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000448972047 405479548 /nfs/dbraw/zinc/47/95/48/405479548.db2.gz WZJQYLUGHGOOQB-PBHICJAKSA-N 0 3 321.490 2.404 20 30 DEEDHN N#Cc1csc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000449410941 405549348 /nfs/dbraw/zinc/54/93/48/405549348.db2.gz CVOROOATNBFSNE-UONOGXRCSA-N 0 3 311.410 2.401 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421714344 405611389 /nfs/dbraw/zinc/61/13/89/405611389.db2.gz VFWNRXPNHOURNW-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN CN(CC#CCN1C(=O)c2ccccc2C1=O)C1CC(C)(C)C1 ZINC000528518134 405648560 /nfs/dbraw/zinc/64/85/60/405648560.db2.gz GGTVPDVOJSDAAL-UHFFFAOYSA-N 0 3 310.397 2.406 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)c2ccnc(OCCN(C)C)c2)c1 ZINC000456969793 405636546 /nfs/dbraw/zinc/63/65/46/405636546.db2.gz QSAPRLBBKDMGAG-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C[C@@H]1CCCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582266305 405694944 /nfs/dbraw/zinc/69/49/44/405694944.db2.gz OTUGPOUEDFKDLQ-HIFRSBDPSA-N 0 3 321.446 2.143 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000582433076 405731424 /nfs/dbraw/zinc/73/14/24/405731424.db2.gz LWDWGCFKIAUZTF-GXTWGEPZSA-N 0 3 300.406 2.112 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000450126673 405749866 /nfs/dbraw/zinc/74/98/66/405749866.db2.gz JPLRRBABVDZGNY-KSZLIROESA-N 0 3 314.429 2.310 20 30 DEEDHN COCc1ccc(NC(=O)N(C)CCN2CCCC2)cc1C#N ZINC000529211493 405752916 /nfs/dbraw/zinc/75/29/16/405752916.db2.gz GMVIFKGOHRLDDU-UHFFFAOYSA-N 0 3 316.405 2.264 20 30 DEEDHN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(C)C#N ZINC000494989464 405794246 /nfs/dbraw/zinc/79/42/46/405794246.db2.gz DXBMZBQWGDYNHA-CHWSQXEVSA-N 0 3 309.410 2.394 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000495721543 405931309 /nfs/dbraw/zinc/93/13/09/405931309.db2.gz QTQIYEPXXSDCDH-KBPBESRZSA-N 0 3 311.426 2.246 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000457653578 405937203 /nfs/dbraw/zinc/93/72/03/405937203.db2.gz IEHDCVZKISFWEB-MRXNPFEDSA-N 0 3 300.406 2.182 20 30 DEEDHN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433305113 405918227 /nfs/dbraw/zinc/91/82/27/405918227.db2.gz OQIQTMCTEZCSCR-SQWLQELKSA-N 0 3 315.417 2.178 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1 ZINC000562462908 406013768 /nfs/dbraw/zinc/01/37/68/406013768.db2.gz RIMAGRHJCBFLQY-UTUOFQBUSA-N 0 3 305.328 2.352 20 30 DEEDHN Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC(C)(C)CC#N ZINC000459727605 406023229 /nfs/dbraw/zinc/02/32/29/406023229.db2.gz HIWFKWMAKBKMRI-UHFFFAOYSA-N 0 3 320.437 2.481 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000532484717 406080509 /nfs/dbraw/zinc/08/05/09/406080509.db2.gz LQVFMOUUPPGFTE-CQSZACIVSA-N 0 3 315.417 2.174 20 30 DEEDHN Cc1ccc2c(c1)[C@H](NC[C@@H](O)CN(C)CCC#N)CCC2 ZINC000566122665 406085484 /nfs/dbraw/zinc/08/54/84/406085484.db2.gz RQKBOILIUPJQSX-SJLPKXTDSA-N 0 3 301.434 2.168 20 30 DEEDHN Cc1noc(-c2ccc(C)c(NC(=O)[C@@H](N)CCCC#N)c2)n1 ZINC000516562255 406099505 /nfs/dbraw/zinc/09/95/05/406099505.db2.gz CVBHIHUOUJEQKN-ZDUSSCGKSA-N 0 3 313.361 2.313 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000514537418 406053951 /nfs/dbraw/zinc/05/39/51/406053951.db2.gz SMSZBBJEJOJPRH-QZTJIDSGSA-N 0 3 305.418 2.231 20 30 DEEDHN COc1ccc(CN2C[C@@H](O)C[C@H]2C)cc1OCCCC#N ZINC000471798259 406118270 /nfs/dbraw/zinc/11/82/70/406118270.db2.gz LKCWVFHJNIDTLD-HIFRSBDPSA-N 0 3 304.390 2.333 20 30 DEEDHN CN(C)[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000517233844 406124796 /nfs/dbraw/zinc/12/47/96/406124796.db2.gz FIYCDGBVSFLEAE-LSDHHAIUSA-N 0 3 322.840 2.080 20 30 DEEDHN C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCCN(C)C ZINC000632459377 406147609 /nfs/dbraw/zinc/14/76/09/406147609.db2.gz JPNVDBABHLRTDQ-INIZCTEOSA-N 0 3 310.463 2.045 20 30 DEEDHN C[C@@H](Cc1ccccc1F)NCc1cnc2c(C#N)cnn2c1 ZINC000569387700 406247798 /nfs/dbraw/zinc/24/77/98/406247798.db2.gz CCJRAKJRBASPNX-LBPRGKRZSA-N 0 3 309.348 2.461 20 30 DEEDHN OCC1([C@@H](NCC#Cc2ccc(F)cc2)[C@H]2CCCO2)CCC1 ZINC000639768024 406243617 /nfs/dbraw/zinc/24/36/17/406243617.db2.gz RABGRJXAVCACDS-MSOLQXFVSA-N 0 3 317.404 2.477 20 30 DEEDHN CCN1C[C@H](C)N(Cc2cccc(C(=O)OC)c2C#N)C[C@@H]1C ZINC000536560936 406265888 /nfs/dbraw/zinc/26/58/88/406265888.db2.gz XZXLDBMPDYVOOY-KBPBESRZSA-N 0 3 315.417 2.259 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000545999205 406342722 /nfs/dbraw/zinc/34/27/22/406342722.db2.gz LBOSZIPVDGYRLL-YPMHNXCESA-N 0 3 302.378 2.171 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CSC)C2)CC1 ZINC000488801288 406350209 /nfs/dbraw/zinc/35/02/09/406350209.db2.gz PDSMWSHQOXCYOR-CQSZACIVSA-N 0 3 311.495 2.421 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(C)(OCC)CC2)CC1 ZINC000488801579 406350353 /nfs/dbraw/zinc/35/03/53/406350353.db2.gz GRCCLHLXUCFJCD-UHFFFAOYSA-N 0 3 309.454 2.237 20 30 DEEDHN CCN(CCNC(=O)Nc1ccc(C#N)cc1OC)C1CC1 ZINC000545296942 406312362 /nfs/dbraw/zinc/31/23/62/406312362.db2.gz UZWBNGCVQQUABU-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000570511968 406403635 /nfs/dbraw/zinc/40/36/35/406403635.db2.gz LOFATYDPBSAPKG-RDJZCZTQSA-N 0 3 313.401 2.388 20 30 DEEDHN C=CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000489667135 406424445 /nfs/dbraw/zinc/42/44/45/406424445.db2.gz QHDBMHLBNNMLDJ-GOEBONIOSA-N 0 3 312.479 2.231 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C#N)s1 ZINC000570832223 406445500 /nfs/dbraw/zinc/44/55/00/406445500.db2.gz VQDQALAGVQDPFC-OLZOCXBDSA-N 0 3 318.446 2.388 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000490292197 406459412 /nfs/dbraw/zinc/45/94/12/406459412.db2.gz UAMHPLPHIZLHCC-ZDUSSCGKSA-N 0 3 301.365 2.398 20 30 DEEDHN C#CCNC(=O)CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000491202053 406543414 /nfs/dbraw/zinc/54/34/14/406543414.db2.gz LKJMRJVRONJGCN-UHFFFAOYSA-N 0 3 320.820 2.323 20 30 DEEDHN C#C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000491243021 406552561 /nfs/dbraw/zinc/55/25/61/406552561.db2.gz UKJZQYNFYIOSMZ-QGZVFWFLSA-N 0 3 315.392 2.426 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1c(F)cccc1OC ZINC000491254252 406555036 /nfs/dbraw/zinc/55/50/36/406555036.db2.gz RKTVVUCGMQKZGF-CYBMUJFWSA-N 0 3 321.396 2.150 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)CCCc1cccnc1 ZINC000491464693 406599168 /nfs/dbraw/zinc/59/91/68/406599168.db2.gz SAAKKHWDDNSQGZ-INIZCTEOSA-N 0 3 316.449 2.047 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000491381475 406581527 /nfs/dbraw/zinc/58/15/27/406581527.db2.gz FMOFGEMUURAJAB-INIZCTEOSA-N 0 3 317.433 2.228 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CNCCc1cscn1 ZINC000572475724 406674592 /nfs/dbraw/zinc/67/45/92/406674592.db2.gz QXLKBXBHKUHITC-INIZCTEOSA-N 0 3 318.442 2.444 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 ZINC000491698126 406674615 /nfs/dbraw/zinc/67/46/15/406674615.db2.gz LRFOLLIBJSDPDX-SJORKVTESA-N 0 3 323.481 2.225 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(F)cc(C)c2C1 ZINC000491703651 406678951 /nfs/dbraw/zinc/67/89/51/406678951.db2.gz NWPKFYJKPLMSQE-UHFFFAOYSA-N 0 3 317.408 2.157 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C(C)C)C2(CO)CCCC2)CC1 ZINC000491705706 406680302 /nfs/dbraw/zinc/68/03/02/406680302.db2.gz CWHIJGLBDSJFRF-QGZVFWFLSA-N 0 3 320.477 2.025 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000491712113 406683394 /nfs/dbraw/zinc/68/33/94/406683394.db2.gz XIZGOYLUIZYXDG-AAEUAGOBSA-N 0 3 301.308 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC=C)Cc1cccs1 ZINC000491724931 406687949 /nfs/dbraw/zinc/68/79/49/406687949.db2.gz GRTYBIRKHGXDOL-UHFFFAOYSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000491737892 406696170 /nfs/dbraw/zinc/69/61/70/406696170.db2.gz WGBAHGMXVXCEME-UHFFFAOYSA-N 0 3 309.479 2.013 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cn(CC)c2ccccc12 ZINC000491740624 406697363 /nfs/dbraw/zinc/69/73/63/406697363.db2.gz QUXBZJNOPIDZOA-UHFFFAOYSA-N 0 3 311.429 2.275 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000491743959 406698553 /nfs/dbraw/zinc/69/85/53/406698553.db2.gz IJGCEDAYCGAEOG-OAHLLOKOSA-N 0 3 322.355 2.395 20 30 DEEDHN CC1=CCN(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527498098 406642948 /nfs/dbraw/zinc/64/29/48/406642948.db2.gz GGYQJXFOMOQNRY-SFHVURJKSA-N 0 3 322.412 2.009 20 30 DEEDHN COc1ccc(CN[C@]2(CO)COc3ccccc3C2)cc1C#N ZINC000527770424 406744969 /nfs/dbraw/zinc/74/49/69/406744969.db2.gz VZEJDGSCWVDYHE-LJQANCHMSA-N 0 3 324.380 2.023 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000491776483 406713013 /nfs/dbraw/zinc/71/30/13/406713013.db2.gz FUUIFBQDTOTLCB-KRWDZBQOSA-N 0 3 321.465 2.075 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)C(=O)OCC)CC1 ZINC000554561855 406812707 /nfs/dbraw/zinc/81/27/07/406812707.db2.gz OTCRWWXAQXJVKF-UHFFFAOYSA-N 0 3 310.438 2.123 20 30 DEEDHN C=CCCOCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000644978304 407221629 /nfs/dbraw/zinc/22/16/29/407221629.db2.gz MQAURYZQDHFLKR-INIZCTEOSA-N 0 3 302.418 2.489 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130852267 196116582 /nfs/dbraw/zinc/11/65/82/196116582.db2.gz MMDWIKTUCIQJBX-LSDHHAIUSA-N 0 3 324.428 2.189 20 30 DEEDHN C=CCC[C@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1ccccc1 ZINC000131709690 196192634 /nfs/dbraw/zinc/19/26/34/196192634.db2.gz AGVBYKDHHNAGKW-FUHWJXTLSA-N 0 3 319.449 2.306 20 30 DEEDHN CCn1nccc1N1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1=O ZINC000253354818 225249610 /nfs/dbraw/zinc/24/96/10/225249610.db2.gz MQLQQQWKOWPSNP-KFWWJZLASA-N 0 3 315.421 2.070 20 30 DEEDHN C[C@@H]1COCC[C@@H]1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000330350414 225997371 /nfs/dbraw/zinc/99/73/71/225997371.db2.gz LBBOVSHTVBYBGQ-CABCVRRESA-N 0 3 310.438 2.403 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000331237866 226073413 /nfs/dbraw/zinc/07/34/13/226073413.db2.gz VDMHGWVDJMEKFD-UHFFFAOYSA-N 0 3 318.421 2.180 20 30 DEEDHN C[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)c1cnn(C)c1 ZINC000331299976 226079799 /nfs/dbraw/zinc/07/97/99/226079799.db2.gz BONYZIYWRZDTRH-JSGCOSHPSA-N 0 3 307.442 2.105 20 30 DEEDHN Cn1cnnc1[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339361181 226185274 /nfs/dbraw/zinc/18/52/74/226185274.db2.gz ZWAGGNQKUMGRFA-CVEARBPZSA-N 0 3 323.400 2.251 20 30 DEEDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C1(C#N)CCCCC1 ZINC000333417240 226105835 /nfs/dbraw/zinc/10/58/35/226105835.db2.gz LEDPCNXQAVEQNT-NUEKZKHPSA-N 0 3 319.449 2.074 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000338927426 226175465 /nfs/dbraw/zinc/17/54/65/226175465.db2.gz ZZRFFWZIGOAQDB-ZIAGYGMSSA-N 0 3 319.371 2.265 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000291412596 222373475 /nfs/dbraw/zinc/37/34/75/222373475.db2.gz CJCBTFDHCTUMAK-HNNXBMFYSA-N 0 3 308.809 2.140 20 30 DEEDHN Cc1cc(NC(=O)N[C@@H](C)CN2CCCCC2)ncc1C#N ZINC000603122107 422449299 /nfs/dbraw/zinc/44/92/99/422449299.db2.gz ZZCXBPGBSCWFEW-ZDUSSCGKSA-N 0 3 301.394 2.258 20 30 DEEDHN CN1CCN(CCCNc2ncc(C#N)c3ccsc32)CC1 ZINC000601100820 422417148 /nfs/dbraw/zinc/41/71/48/422417148.db2.gz IAVBSUOEYMISNN-UHFFFAOYSA-N 0 3 315.446 2.217 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncnc(N)c1Cl)C(C)C ZINC000359563698 424830433 /nfs/dbraw/zinc/83/04/33/424830433.db2.gz SVPMNZPARDCZOU-LBPRGKRZSA-N 0 3 309.845 2.823 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634456979 424844008 /nfs/dbraw/zinc/84/40/08/424844008.db2.gz OXKGABSYJHFPRC-QGZVFWFLSA-N 0 3 302.418 2.278 20 30 DEEDHN CN(C)C1(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000557267196 424883901 /nfs/dbraw/zinc/88/39/01/424883901.db2.gz RIMJRRDWANCRIJ-UHFFFAOYSA-N 0 3 323.444 2.990 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)c(N)n2)C1 ZINC000570815749 424929816 /nfs/dbraw/zinc/92/98/16/424929816.db2.gz FWGBJSFIBYZVGV-XJKSGUPXSA-N 0 3 307.401 2.783 20 30 DEEDHN C=CCC1(C(=O)N2CCOC3(CCN(C)CC3)C2)CCCC1 ZINC000649129109 424958576 /nfs/dbraw/zinc/95/85/76/424958576.db2.gz LVPJIHXLKKCOLU-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H]1CCCOC1 ZINC000352232560 425043950 /nfs/dbraw/zinc/04/39/50/425043950.db2.gz VOXALSNTOGDCLA-IAGOWNOFSA-N 0 3 305.418 2.266 20 30 DEEDHN C=CCCn1cc(CN[C@H]2CCN(C)[C@@H]2c2ccccc2)nn1 ZINC000653663839 425205306 /nfs/dbraw/zinc/20/53/06/425205306.db2.gz PEGVTHGNNBUJPD-ZWKOTPCHSA-N 0 3 311.433 2.389 20 30 DEEDHN C=C[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660881978 425266874 /nfs/dbraw/zinc/26/68/74/425266874.db2.gz RNPMTJRYDJIMAB-CQSZACIVSA-N 0 3 302.422 2.167 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1c[nH]cn1)C(C)C ZINC000663668358 425210609 /nfs/dbraw/zinc/21/06/09/425210609.db2.gz NUXULOMOOKTVFB-INIZCTEOSA-N 0 3 319.453 2.250 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H]2CCCNC2=O)ccc1OC ZINC000657283042 425292109 /nfs/dbraw/zinc/29/21/09/425292109.db2.gz CJUUCPZMEYJYBX-OAHLLOKOSA-N 0 3 318.417 2.266 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000661037846 425304125 /nfs/dbraw/zinc/30/41/25/425304125.db2.gz WCQXTSSKGZCSHV-IRXDYDNUSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661232368 425357221 /nfs/dbraw/zinc/35/72/21/425357221.db2.gz FHXYXFOTDOYABR-HNNXBMFYSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCOCCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000658210691 425456441 /nfs/dbraw/zinc/45/64/41/425456441.db2.gz VKWAPEFVYVEFCQ-HNNXBMFYSA-N 0 3 311.447 2.340 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000659094966 425527453 /nfs/dbraw/zinc/52/74/53/425527453.db2.gz UNTJPDHVXUUSIN-CQSZACIVSA-N 0 3 315.417 2.159 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(S(=O)(=O)NC)cc1 ZINC000662088841 425561083 /nfs/dbraw/zinc/56/10/83/425561083.db2.gz ORBDSLYUPFIDMB-GASCZTMLSA-N 0 3 306.431 2.278 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc2c(c1)OCO2 ZINC000662086563 425561489 /nfs/dbraw/zinc/56/14/89/425561489.db2.gz VMOFFUNUTGRNIV-GASCZTMLSA-N 0 3 314.385 2.215 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(O)CCSCC1 ZINC000660535923 425827299 /nfs/dbraw/zinc/82/72/99/425827299.db2.gz CTACIJJQSMJXTA-UHFFFAOYSA-N 0 3 311.447 2.408 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)nn1 ZINC001088910883 782040274 /nfs/dbraw/zinc/04/02/74/782040274.db2.gz NAMBTMKJAUETFN-CABCVRRESA-N 0 3 317.437 2.013 20 30 DEEDHN N#Cc1cc(CN[C@]2(CO)COc3ccccc3C2)ccc1F ZINC000528655574 268179365 /nfs/dbraw/zinc/17/93/65/268179365.db2.gz ZESNSDWDRMPMNG-GOSISDBHSA-N 0 3 312.344 2.153 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCCOCC2)cc1Cl ZINC000363379417 269054604 /nfs/dbraw/zinc/05/46/04/269054604.db2.gz PXKXTAFTMUDSJW-UHFFFAOYSA-N 0 3 307.781 2.263 20 30 DEEDHN N#Cc1ccncc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397556999 269107005 /nfs/dbraw/zinc/10/70/05/269107005.db2.gz OAWNDOKPWZCWQI-UHFFFAOYSA-N 0 3 322.412 2.392 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COC1CCOCC1 ZINC000425534583 269119562 /nfs/dbraw/zinc/11/95/62/269119562.db2.gz MFVFMCGNSHVCIQ-RHSMWYFYSA-N 0 3 318.417 2.108 20 30 DEEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC000517390231 269384926 /nfs/dbraw/zinc/38/49/26/269384926.db2.gz DFJXPYBXMDASPK-AWEZNQCLSA-N 0 3 307.401 2.408 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@H]2CCOc3ccccc32)C(N)=O)cc1 ZINC000115599856 274926033 /nfs/dbraw/zinc/92/60/33/274926033.db2.gz WSEFICBLCXRJLA-CRAIPNDOSA-N 0 3 321.380 2.241 20 30 DEEDHN C#CCCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000160862142 275379142 /nfs/dbraw/zinc/37/91/42/275379142.db2.gz PNWKKLQARURVOZ-UHFFFAOYSA-N 0 3 323.506 2.451 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2OCC)CC1 ZINC000454468392 275738827 /nfs/dbraw/zinc/73/88/27/275738827.db2.gz SDVZFKDLLRKVKN-HZPDHXFCSA-N 0 3 309.454 2.284 20 30 DEEDHN CN(C)[C@]1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCSC1 ZINC000333378921 276797862 /nfs/dbraw/zinc/79/78/62/276797862.db2.gz AXZAUQUTPXDNDT-JKSUJKDBSA-N 0 3 307.463 2.014 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000124758535 276901472 /nfs/dbraw/zinc/90/14/72/276901472.db2.gz LBARNDOQQNYIAP-WFASDCNBSA-N 0 3 319.405 2.136 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000278594100 276921978 /nfs/dbraw/zinc/92/19/78/276921978.db2.gz KOJBAILGVSFDTQ-SJLPKXTDSA-N 0 3 302.418 2.267 20 30 DEEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000276929066 277335861 /nfs/dbraw/zinc/33/58/61/277335861.db2.gz ILFZSBAMVQIDJM-IRXDYDNUSA-N 0 3 315.417 2.480 20 30 DEEDHN C#CCSCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287433782 277696268 /nfs/dbraw/zinc/69/62/68/277696268.db2.gz MEWNTBUITJYZTL-ZBFHGGJFSA-N 0 3 319.474 2.343 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)COC)C(C)C ZINC000298705499 277847598 /nfs/dbraw/zinc/84/75/98/277847598.db2.gz YFTSBDIUBDSBRA-HOTGVXAUSA-N 0 3 311.470 2.361 20 30 DEEDHN CS[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000413225778 278157874 /nfs/dbraw/zinc/15/78/74/278157874.db2.gz GXAFVOQLMCTOGB-ZIAGYGMSSA-N 0 3 306.410 2.108 20 30 DEEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(OC)cc1 ZINC000120216794 280191731 /nfs/dbraw/zinc/19/17/31/280191731.db2.gz TWFMBPVTYDJQRA-XJKSGUPXSA-N 0 3 303.406 2.496 20 30 DEEDHN CCn1c2ccc(C#N)cc2nc1NC(=O)C12CCCN1CCC2 ZINC000415362761 281610501 /nfs/dbraw/zinc/61/05/01/281610501.db2.gz QHRBBTYYGDGYBI-UHFFFAOYSA-N 0 3 323.400 2.495 20 30 DEEDHN CO[C@@]1(C)C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451501130 294164557 /nfs/dbraw/zinc/16/45/57/294164557.db2.gz YZVWFNCMYODCGD-YOEHRIQHSA-N 0 3 321.465 2.464 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@H](O)C12CCCC2)N1CCC(C)CC1 ZINC000330345148 298244524 /nfs/dbraw/zinc/24/45/24/298244524.db2.gz DUVAOBJYZFRFDO-CVEARBPZSA-N 0 3 323.481 2.400 20 30 DEEDHN CN(C)c1ccc(/C=C/C=NNCC(C)(C)S(C)(=O)=O)cc1 ZINC000834972942 649864002 /nfs/dbraw/zinc/86/40/02/649864002.db2.gz RLOUHRLUZQMVHX-OBXSZPLLSA-N 0 3 323.462 2.164 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000342512577 303152544 /nfs/dbraw/zinc/15/25/44/303152544.db2.gz ONRLQBVUCQJFOZ-MRXNPFEDSA-N 0 3 316.430 2.445 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(CC(=C)C)[C@@H]1C ZINC001088969467 782088576 /nfs/dbraw/zinc/08/85/76/782088576.db2.gz YUCNUDTYCMLUJF-CABCVRRESA-N 0 3 315.417 2.415 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC(CCC(=O)OC)CC1 ZINC000531001312 331990592 /nfs/dbraw/zinc/99/05/92/331990592.db2.gz RQVVYWOBMIJKNZ-UHFFFAOYSA-N 0 3 310.438 2.076 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CCC)CCc1cccc(F)c1 ZINC000113266731 335299796 /nfs/dbraw/zinc/29/97/96/335299796.db2.gz YPFXOPMGXJNPRJ-UHFFFAOYSA-N 0 3 321.396 2.092 20 30 DEEDHN CN1C(=O)N[C@@H]2CN(Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000332569845 336174696 /nfs/dbraw/zinc/17/46/96/336174696.db2.gz CQKJQYGHOUCGNA-CVEARBPZSA-N 0 3 312.417 2.086 20 30 DEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351949643 336182357 /nfs/dbraw/zinc/18/23/57/336182357.db2.gz RBAOGTVQGHUXLB-RHSMWYFYSA-N 0 3 307.438 2.074 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](C(C)C)C2)CC1 ZINC000352132721 336196094 /nfs/dbraw/zinc/19/60/94/336196094.db2.gz LVMUVBHHQZLBKA-INIZCTEOSA-N 0 3 309.454 2.093 20 30 DEEDHN COC(=O)[C@@]1(C(F)(F)F)CCN(CCCSCC#N)C1 ZINC000375787298 337019578 /nfs/dbraw/zinc/01/95/78/337019578.db2.gz OFZWLQFGRXKBGC-LLVKDONJSA-N 0 3 310.341 2.061 20 30 DEEDHN CN(C)[C@H](CNc1ccnc(C#N)n1)c1ccc(Cl)cc1 ZINC000582736156 337127929 /nfs/dbraw/zinc/12/79/29/337127929.db2.gz URFRIQPTRJKABZ-CYBMUJFWSA-N 0 3 301.781 2.138 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000582782397 337158721 /nfs/dbraw/zinc/15/87/21/337158721.db2.gz XGFLNJFRNBSEOO-HNNXBMFYSA-N 0 3 306.454 2.444 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C)cc(OC)c2)CC1 ZINC000179218903 337168167 /nfs/dbraw/zinc/16/81/67/337168167.db2.gz PCBVGBCIPRTNMQ-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN C#CCCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180354022 337173780 /nfs/dbraw/zinc/17/37/80/337173780.db2.gz PUSDLIZRRYWKBH-UHFFFAOYSA-N 0 3 300.406 2.011 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1C#N ZINC000583185314 337260167 /nfs/dbraw/zinc/26/01/67/337260167.db2.gz COWPXPLSZAGNOZ-IMJJTQAJSA-N 0 3 314.385 2.248 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000583191888 337263760 /nfs/dbraw/zinc/26/37/60/337263760.db2.gz MJKXADCPUQRRAC-UHFFFAOYSA-N 0 3 308.385 2.253 20 30 DEEDHN N#CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057908053 337458349 /nfs/dbraw/zinc/45/83/49/337458349.db2.gz KQUVBQHRUUHCJB-UHFFFAOYSA-N 0 3 302.334 2.159 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H](O)C1(C)C)C(C)C ZINC000429941510 338092432 /nfs/dbraw/zinc/09/24/32/338092432.db2.gz KAZQLVOCYKYLDX-OAGGEKHMSA-N 0 3 323.481 2.144 20 30 DEEDHN CC(=NNC1CCN(C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496624684 340009120 /nfs/dbraw/zinc/00/91/20/340009120.db2.gz PIYZEPRFNIFGRD-OAHLLOKOSA-N 0 3 324.469 2.446 20 30 DEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cn1 ZINC000505467902 340169117 /nfs/dbraw/zinc/16/91/17/340169117.db2.gz QGSXRLDNYXQOLJ-WDEREUQCSA-N 0 3 313.279 2.003 20 30 DEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1ccc(C(F)(F)F)cn1 ZINC000505467899 340169188 /nfs/dbraw/zinc/16/91/88/340169188.db2.gz QGSXRLDNYXQOLJ-GHMZBOCLSA-N 0 3 313.279 2.003 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CCCOC1 ZINC000245499252 341297795 /nfs/dbraw/zinc/29/77/95/341297795.db2.gz XUDJGTHNYAFFBG-LSDHHAIUSA-N 0 3 307.438 2.076 20 30 DEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1CCOC1 ZINC000246835819 341357491 /nfs/dbraw/zinc/35/74/91/341357491.db2.gz BINFPWGHAMKREA-GARNVTTQSA-N 0 3 321.465 2.274 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248463174 341378419 /nfs/dbraw/zinc/37/84/19/341378419.db2.gz YRQMPTYFBBJHKU-BFYDXBDKSA-N 0 3 314.433 2.498 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1OC ZINC000248833266 341388047 /nfs/dbraw/zinc/38/80/47/341388047.db2.gz MLSNIISOSSMQHA-IIAWOOMASA-N 0 3 309.454 2.224 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)NCC2(C#N)CC2)N(C)C)cc1 ZINC000567444784 341606487 /nfs/dbraw/zinc/60/64/87/341606487.db2.gz IVRZQLLSJWKQFN-HNNXBMFYSA-N 0 3 300.406 2.201 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@H](C)OC)NCc1ccc(C#N)c(F)c1 ZINC001378244227 1152248562 /nfs/dbraw/zinc/24/85/62/1152248562.db2.gz MSIFSYJDBAGSJU-WFASDCNBSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](CNC(=O)C[C@H](C)OC)NCc1ccc(C#N)c(F)c1 ZINC001378244222 1152248226 /nfs/dbraw/zinc/24/82/26/1152248226.db2.gz MSIFSYJDBAGSJU-SWLSCSKDSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCc1ccncn1)C1CC1 ZINC001378392789 1152315131 /nfs/dbraw/zinc/31/51/31/1152315131.db2.gz FTFVNUVQIRDHLL-INIZCTEOSA-N 0 3 322.840 2.036 20 30 DEEDHN C=C(Cl)CN1CCC(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001378483054 1152345963 /nfs/dbraw/zinc/34/59/63/1152345963.db2.gz JSWMDNIGJAHAKA-OAHLLOKOSA-N 0 3 315.889 2.297 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CC1(OC)CCC1 ZINC001329921686 1149016867 /nfs/dbraw/zinc/01/68/67/1149016867.db2.gz RPYIMWDEDJEXSI-INIZCTEOSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](CC(=C)C)NC(C)=O ZINC001329935490 1149019149 /nfs/dbraw/zinc/01/91/49/1149019149.db2.gz CVZSZVPUPDGEDP-DLBZAZTESA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001212195490 782151751 /nfs/dbraw/zinc/15/17/51/782151751.db2.gz AFPJMJNETZJMLI-GDBMZVCRSA-N 0 3 306.406 2.237 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001358552576 1152408960 /nfs/dbraw/zinc/40/89/60/1152408960.db2.gz LMZVFEGHNKBMPG-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCc2cccc(F)c2F)C1 ZINC001330083801 1149048096 /nfs/dbraw/zinc/04/80/96/1149048096.db2.gz BUGXQCIMWWDRLH-CYBMUJFWSA-N 0 3 320.383 2.357 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000495721549 500914917 /nfs/dbraw/zinc/91/49/17/500914917.db2.gz QTQIYEPXXSDCDH-ZIAGYGMSSA-N 0 3 311.426 2.246 20 30 DEEDHN C=C(Cl)CN[C@H](C)CNC(=O)c1sccc1CN(C)C ZINC001437147485 1179485492 /nfs/dbraw/zinc/48/54/92/1179485492.db2.gz CFIGKNOXJUSLLV-LLVKDONJSA-N 0 3 315.870 2.270 20 30 DEEDHN C[C@H](CN1CCOCC1)NCc1cccc(OCCCC#N)c1 ZINC000237668251 534063865 /nfs/dbraw/zinc/06/38/65/534063865.db2.gz CEYIOHQNJSGIBN-MRXNPFEDSA-N 0 3 317.433 2.179 20 30 DEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193059520 534168719 /nfs/dbraw/zinc/16/87/19/534168719.db2.gz KCYKRAYCWFBHOZ-IJEWVQPXSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]([C@@H](C)NCc2cncc(C)c2)C1 ZINC001330381965 1149103272 /nfs/dbraw/zinc/10/32/72/1149103272.db2.gz GVHPIEQEQWCYGP-WBVHZDCISA-N 0 3 317.433 2.062 20 30 DEEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000452369998 534514707 /nfs/dbraw/zinc/51/47/07/534514707.db2.gz FKASPSAYRPBNBC-WMZOPIPTSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000452369994 534514857 /nfs/dbraw/zinc/51/48/57/534514857.db2.gz FKASPSAYRPBNBC-FUHWJXTLSA-N 0 3 316.445 2.309 20 30 DEEDHN N#CC1(F)CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000339186823 534567867 /nfs/dbraw/zinc/56/78/67/534567867.db2.gz VPRABJPXWOPMSI-HNNXBMFYSA-N 0 3 315.392 2.476 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1OCC ZINC000451669891 534573731 /nfs/dbraw/zinc/57/37/31/534573731.db2.gz BMILYAIGUXLNPL-HIFRSBDPSA-N 0 3 304.390 2.347 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(C(=O)CN(CC)CC)C1 ZINC001358794793 1152486274 /nfs/dbraw/zinc/48/62/74/1152486274.db2.gz NCQQDKHDTSWIHY-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000451599123 534610077 /nfs/dbraw/zinc/61/00/77/534610077.db2.gz NBRBLGAWRCHNFO-OIISXLGYSA-N 0 3 302.418 2.357 20 30 DEEDHN N#CCc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC000332340892 534718726 /nfs/dbraw/zinc/71/87/26/534718726.db2.gz FCFBUYIIMYNYII-UHFFFAOYSA-N 0 3 312.417 2.132 20 30 DEEDHN Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000331317877 534846503 /nfs/dbraw/zinc/84/65/03/534846503.db2.gz JSUYXHSYPJZGEE-WFASDCNBSA-N 0 3 321.469 2.414 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000449940372 534881721 /nfs/dbraw/zinc/88/17/21/534881721.db2.gz MFFLZUIJLHKNQD-GOEBONIOSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN(CCc1ccccc1)CCN1C(=O)NC(C)(C)C1=O ZINC000299339901 526314395 /nfs/dbraw/zinc/31/43/95/526314395.db2.gz MYNNHVWLEGQQBT-UHFFFAOYSA-N 0 3 315.417 2.048 20 30 DEEDHN CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424101405 526326987 /nfs/dbraw/zinc/32/69/87/526326987.db2.gz PCYPPZROXYGIBK-AWEZNQCLSA-N 0 3 316.405 2.175 20 30 DEEDHN Cc1csc(CNC2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000117384891 526356867 /nfs/dbraw/zinc/35/68/67/526356867.db2.gz UBIGKKIOJXKQOK-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOCC3(CCCC3)C2)CC1 ZINC000373579870 526428967 /nfs/dbraw/zinc/42/89/67/526428967.db2.gz BAVFSFKWVLXHLG-UHFFFAOYSA-N 0 3 321.465 2.239 20 30 DEEDHN CC(=O)CN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000421923178 526433984 /nfs/dbraw/zinc/43/39/84/526433984.db2.gz RWBGFIKFMBXZMA-KRWDZBQOSA-N 0 3 311.385 2.314 20 30 DEEDHN N#Cc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)[nH]1 ZINC000337412644 526593284 /nfs/dbraw/zinc/59/32/84/526593284.db2.gz XSBOPJJJHULHLY-UHFFFAOYSA-N 0 3 322.412 2.323 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000413378778 526596322 /nfs/dbraw/zinc/59/63/22/526596322.db2.gz GCKHHXQQYBGVLU-CYBMUJFWSA-N 0 3 310.438 2.121 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cn2)OCCC3)CC1 ZINC000371707569 526599010 /nfs/dbraw/zinc/59/90/10/526599010.db2.gz OVMWVOHEURVJAJ-UHFFFAOYSA-N 0 3 315.417 2.177 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)cc1 ZINC000422953331 526618264 /nfs/dbraw/zinc/61/82/64/526618264.db2.gz DYFQQHAHIBBUPD-WFASDCNBSA-N 0 3 316.405 2.321 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000296697772 526738633 /nfs/dbraw/zinc/73/86/33/526738633.db2.gz DSLJZGMWRGSKML-QAPCUYQASA-N 0 3 312.413 2.255 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(CSC)cc1 ZINC000296764796 526816899 /nfs/dbraw/zinc/81/68/99/526816899.db2.gz ZAPVIIQJWBRWTI-UHFFFAOYSA-N 0 3 319.474 2.304 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)CNc1ccccc1 ZINC000297538083 526818703 /nfs/dbraw/zinc/81/87/03/526818703.db2.gz RGYYJFUBNQYYLN-MRXNPFEDSA-N 0 3 316.449 2.131 20 30 DEEDHN C=CCOc1cccc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)c1 ZINC000374581221 526905210 /nfs/dbraw/zinc/90/52/10/526905210.db2.gz ZNHHMTCIOABQBT-IRXDYDNUSA-N 0 3 300.402 2.494 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2COc3c2cccc3Cl)CC1 ZINC000371968379 526930995 /nfs/dbraw/zinc/93/09/95/526930995.db2.gz YMMWMQVCCSASCT-HNNXBMFYSA-N 0 3 318.804 2.235 20 30 DEEDHN C#CCNC(=O)CCN(C)Cc1cc(Br)cs1 ZINC000292693790 526973935 /nfs/dbraw/zinc/97/39/35/526973935.db2.gz ARAGARHVBTUTIC-UHFFFAOYSA-N 0 3 315.236 2.082 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000341416222 526962258 /nfs/dbraw/zinc/96/22/58/526962258.db2.gz GTZGRNWNHISVJE-HUUCEWRRSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000369122622 526976637 /nfs/dbraw/zinc/97/66/37/526976637.db2.gz SFEZKVMRLRWKKE-HOCLYGCPSA-N 0 3 308.447 2.298 20 30 DEEDHN C=CCSCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000338285385 526992455 /nfs/dbraw/zinc/99/24/55/526992455.db2.gz QGGMFCRCOTYFAQ-INIZCTEOSA-N 0 3 321.490 2.378 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000294532412 527071313 /nfs/dbraw/zinc/07/13/13/527071313.db2.gz IYDQEKXCEPJHRV-HNNXBMFYSA-N 0 3 302.418 2.135 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000294570394 527074202 /nfs/dbraw/zinc/07/42/02/527074202.db2.gz SKBDUIFARINORG-DZGCQCFKSA-N 0 3 308.447 2.286 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000372485293 527122367 /nfs/dbraw/zinc/12/23/67/527122367.db2.gz QSWOSJHINVGZHN-KSZLIROESA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000343843689 527260407 /nfs/dbraw/zinc/26/04/07/527260407.db2.gz SASRIYAKSVHZBT-HZPDHXFCSA-N 0 3 311.470 2.483 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCOC[C@@H](C)C1 ZINC000338248976 527263257 /nfs/dbraw/zinc/26/32/57/527263257.db2.gz AZAOCXVZANUNBV-RDJZCZTQSA-N 0 3 305.418 2.123 20 30 DEEDHN C=C[C@@H](C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429003659 527404817 /nfs/dbraw/zinc/40/48/17/527404817.db2.gz DCVGVLPVZJMJHN-NVXWUHKLSA-N 0 3 317.433 2.151 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337436226 527615306 /nfs/dbraw/zinc/61/53/06/527615306.db2.gz WRNLBEOTFQUFRE-QWHCGFSZSA-N 0 3 302.365 2.327 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(COC)C1)C(C)C ZINC000433943494 527645801 /nfs/dbraw/zinc/64/58/01/527645801.db2.gz ZXXUFJXYWPSHAQ-INIZCTEOSA-N 0 3 323.481 2.363 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N[C@](C)(C#N)C2CC2)C1(CC)CC ZINC000249456332 527831746 /nfs/dbraw/zinc/83/17/46/527831746.db2.gz PRUZNFAXHVPWTC-BFYDXBDKSA-N 0 3 321.465 2.368 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000331301734 527972620 /nfs/dbraw/zinc/97/26/20/527972620.db2.gz AEJIBJNJJNNKCG-GJZGRUSLSA-N 0 3 314.433 2.301 20 30 DEEDHN CCN1CCC(NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000330937291 528973259 /nfs/dbraw/zinc/97/32/59/528973259.db2.gz UHWYBXRAOOLKGH-LLVKDONJSA-N 0 3 323.441 2.416 20 30 DEEDHN CC(C)N1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000332333651 529009585 /nfs/dbraw/zinc/00/95/85/529009585.db2.gz MKNXUWYZXLNCDV-MRXNPFEDSA-N 0 3 320.481 2.134 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1C ZINC000424149314 529355501 /nfs/dbraw/zinc/35/55/01/529355501.db2.gz GUPAWBLMEDPPHX-CABCVRRESA-N 0 3 303.406 2.290 20 30 DEEDHN CN(C)[C@]1(CNC(=O)CCc2ccc(C#N)cc2)CCSC1 ZINC000359686889 536140369 /nfs/dbraw/zinc/14/03/69/536140369.db2.gz OAYWNEHHJHGEMX-KRWDZBQOSA-N 0 3 317.458 2.044 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)N(C)CC(C)(C)C#N)CC1 ZINC000458360391 536748883 /nfs/dbraw/zinc/74/88/83/536748883.db2.gz NZMOIOJTEDSYAM-UHFFFAOYSA-N 0 3 324.469 2.067 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cc(C#N)ccc1F ZINC001378970455 1152512950 /nfs/dbraw/zinc/51/29/50/1152512950.db2.gz UDNOIRVOPJGUDD-BLLLJJGKSA-N 0 3 316.380 2.087 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001327607263 1148596931 /nfs/dbraw/zinc/59/69/31/1148596931.db2.gz MMPIBYXSMDNRHG-RTBURBONSA-N 0 3 318.461 2.089 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1c(C)ncn1C ZINC001369754603 1149146231 /nfs/dbraw/zinc/14/62/31/1149146231.db2.gz QPWLJIBSWSJZBU-OCCSQVGLSA-N 0 3 324.856 2.454 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001379491222 1152632325 /nfs/dbraw/zinc/63/23/25/1152632325.db2.gz KDXOUOKCSNIZIA-NWDGAFQWSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001379643207 1152662406 /nfs/dbraw/zinc/66/24/06/1152662406.db2.gz BBXVMVGYNPAXEE-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)OC)CC[C@@H]2C1 ZINC000946514742 634384141 /nfs/dbraw/zinc/38/41/41/634384141.db2.gz NJRCZFRFHPBQJV-QLFBSQMISA-N 0 3 314.857 2.334 20 30 DEEDHN C=C(C)COCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823878442 609152290 /nfs/dbraw/zinc/15/22/90/609152290.db2.gz ZGEACLGTZZMAKZ-LLVKDONJSA-N 0 3 305.357 2.249 20 30 DEEDHN C=C(C)C[N@@H+](C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000823877951 609371376 /nfs/dbraw/zinc/37/13/76/609371376.db2.gz KPIDADVZZYDMEY-UHFFFAOYSA-N 0 3 323.404 2.369 20 30 DEEDHN C=C(C)C[N@H+](C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000823877951 609371377 /nfs/dbraw/zinc/37/13/77/609371377.db2.gz KPIDADVZZYDMEY-UHFFFAOYSA-N 0 3 323.404 2.369 20 30 DEEDHN C#CCN(C(=O)CC1(C(F)(F)F)CC1)C1CCN(C)CC1 ZINC001355146262 1151987441 /nfs/dbraw/zinc/98/74/41/1151987441.db2.gz IOENNHWIJNTCNQ-UHFFFAOYSA-N 0 3 302.340 2.275 20 30 DEEDHN COCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001381403407 1153042221 /nfs/dbraw/zinc/04/22/21/1153042221.db2.gz HBTVIXSUZWDJOH-VXGBXAGGSA-N 0 3 323.462 2.275 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001023521881 625307540 /nfs/dbraw/zinc/30/75/40/625307540.db2.gz NJGREKKIHGUKJB-CYBMUJFWSA-N 0 3 313.376 2.382 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nc(C)c[nH]1 ZINC001025275859 625320797 /nfs/dbraw/zinc/32/07/97/625320797.db2.gz DBIBDDZNHGWICS-CVEARBPZSA-N 0 3 314.433 2.201 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972588731 625320842 /nfs/dbraw/zinc/32/08/42/625320842.db2.gz CDVXMQQQADFQOG-QGZVFWFLSA-N 0 3 323.396 2.427 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001023548186 625322293 /nfs/dbraw/zinc/32/22/93/625322293.db2.gz DALOATYVNDIFNH-LSDHHAIUSA-N 0 3 312.413 2.258 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001025293340 625327794 /nfs/dbraw/zinc/32/77/94/625327794.db2.gz CBSFXDFVJWYDKI-HZPDHXFCSA-N 0 3 302.422 2.065 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001023596741 625338127 /nfs/dbraw/zinc/33/81/27/625338127.db2.gz XGNAODMOFUQSGT-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001023629162 625361238 /nfs/dbraw/zinc/36/12/38/625361238.db2.gz JPNOHJLTOXYKQF-INIZCTEOSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C(C)C)no2)C1 ZINC001023632858 625364644 /nfs/dbraw/zinc/36/46/44/625364644.db2.gz QNARZEOGJPYWDP-AWEZNQCLSA-N 0 3 303.406 2.263 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(OC)c2F)C1 ZINC001023664568 625377975 /nfs/dbraw/zinc/37/79/75/625377975.db2.gz PJVXAGCPPGWXGE-AWEZNQCLSA-N 0 3 318.392 2.299 20 30 DEEDHN C=CC[C@@H](CO)CNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000893284159 625386639 /nfs/dbraw/zinc/38/66/39/625386639.db2.gz QGKCKKABGBNDRK-GFCCVEGCSA-N 0 3 324.425 2.041 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)noc2CCC)C1 ZINC001025414509 625414430 /nfs/dbraw/zinc/41/44/30/625414430.db2.gz PNKCQYNGGVTSGM-HIFRSBDPSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccnn2C2CCC2)C1 ZINC001025425242 625423477 /nfs/dbraw/zinc/42/34/77/625423477.db2.gz OLUIQYIRBGKZBG-LSDHHAIUSA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnn2C(F)F)C1 ZINC001025428163 625427290 /nfs/dbraw/zinc/42/72/90/625427290.db2.gz LKRNTTCVKBVRPY-OLZOCXBDSA-N 0 3 324.375 2.132 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2COc3ccccc32)C1 ZINC001023775889 625434301 /nfs/dbraw/zinc/43/43/01/625434301.db2.gz LHIVKAVEAMSIJM-DOTOQJQBSA-N 0 3 312.413 2.014 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC001025449820 625445577 /nfs/dbraw/zinc/44/55/77/625445577.db2.gz YTWQBJLSNGDNTC-UKRRQHHQSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2nc(C)sc2C)C1 ZINC001025450859 625445856 /nfs/dbraw/zinc/44/58/56/625445856.db2.gz BRFKZPDVZGGMFP-FZMZJTMJSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001019222029 625449188 /nfs/dbraw/zinc/44/91/88/625449188.db2.gz FPTNHTWCLOKYOT-ZDUSSCGKSA-N 0 3 301.777 2.259 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(OC)cc2F)C1 ZINC001025472288 625463295 /nfs/dbraw/zinc/46/32/95/625463295.db2.gz OVQXNEDVQVKVNR-ZIAGYGMSSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccn3nccc23)C1 ZINC001025469757 625464155 /nfs/dbraw/zinc/46/41/55/625464155.db2.gz QYIBTZGIXQJBFV-HOTGVXAUSA-N 0 3 324.428 2.188 20 30 DEEDHN Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001023896136 625470434 /nfs/dbraw/zinc/47/04/34/625470434.db2.gz XZJVLGYIWDWCRB-RISCZKNCSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2nncc3ccccc32)C1 ZINC001025480955 625474042 /nfs/dbraw/zinc/47/40/42/625474042.db2.gz CEOIFYYNPMAACJ-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001025486939 625478708 /nfs/dbraw/zinc/47/87/08/625478708.db2.gz YLTASIDZAUBZCU-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001025488641 625481098 /nfs/dbraw/zinc/48/10/98/625481098.db2.gz KKVXFYDLAOEULY-LSDHHAIUSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C(C)C)on2)C1 ZINC001025494697 625483060 /nfs/dbraw/zinc/48/30/60/625483060.db2.gz AHNDNQRUGWOMIC-KGLIPLIRSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3n[nH]cc32)C1 ZINC001025504034 625488661 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001022079753 624193355 /nfs/dbraw/zinc/19/33/55/624193355.db2.gz UHRKASHIIXKKKM-TXEJJXNPSA-N 0 3 310.829 2.211 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001022129320 624215146 /nfs/dbraw/zinc/21/51/46/624215146.db2.gz LJEIHEMRDVTOMA-BETUJISGSA-N 0 3 318.808 2.246 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001025639109 625713151 /nfs/dbraw/zinc/71/31/51/625713151.db2.gz VAARHNKSFCWRJA-HOTGVXAUSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ncnc3ccsc32)C1 ZINC000971657994 624488869 /nfs/dbraw/zinc/48/88/69/624488869.db2.gz JRFLWVGKTMIUHR-LLVKDONJSA-N 0 3 302.403 2.024 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NCc2cncs2)C1 ZINC001022206184 624497999 /nfs/dbraw/zinc/49/79/99/624497999.db2.gz QFNDCXHJXPATGD-BETUJISGSA-N 0 3 316.430 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001022280662 624548876 /nfs/dbraw/zinc/54/88/76/624548876.db2.gz NGEVUBGSLBAPJH-WCFLWFBJSA-N 0 3 322.840 2.068 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC000971832497 624629094 /nfs/dbraw/zinc/62/90/94/624629094.db2.gz JCXIHGDCGDPHPX-GDBMZVCRSA-N 0 3 316.449 2.495 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc(CC3CC3)s2)C1 ZINC000971996735 624762339 /nfs/dbraw/zinc/76/23/39/624762339.db2.gz RCWWSMLASGGWCM-CYBMUJFWSA-N 0 3 305.447 2.428 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC000972021102 624777872 /nfs/dbraw/zinc/77/78/72/624777872.db2.gz XGBIBYJAMJJHEG-LBPRGKRZSA-N 0 3 310.829 2.450 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000972027179 624782787 /nfs/dbraw/zinc/78/27/87/624782787.db2.gz PUPKWSPTKVEASV-QGZVFWFLSA-N 0 3 310.401 2.205 20 30 DEEDHN C[C@@H]1C[C@@H]1CC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001022657397 624799680 /nfs/dbraw/zinc/79/96/80/624799680.db2.gz SKVPNCFMSBYNRW-CUBALJKWSA-N 0 3 315.392 2.480 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972089951 624830176 /nfs/dbraw/zinc/83/01/76/624830176.db2.gz HAIIMPDENSXTHR-HOTGVXAUSA-N 0 3 303.381 2.339 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972089954 624830447 /nfs/dbraw/zinc/83/04/47/624830447.db2.gz HAIIMPDENSXTHR-JKSUJKDBSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC001022740354 624886318 /nfs/dbraw/zinc/88/63/18/624886318.db2.gz CLEGYVFRONOJCE-GASCZTMLSA-N 0 3 307.825 2.176 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001027670132 634417739 /nfs/dbraw/zinc/41/77/39/634417739.db2.gz RQVXDJZXFBHGPB-HZPDHXFCSA-N 0 3 300.402 2.010 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)cc(F)c3)[C@@H]2C1 ZINC000978780468 634420362 /nfs/dbraw/zinc/42/03/62/634420362.db2.gz YKASMDBTXVJZTP-OSYLJGHBSA-N 0 3 300.377 2.065 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001024750252 625033357 /nfs/dbraw/zinc/03/33/57/625033357.db2.gz OQABTDPAXCUVKH-CABCVRRESA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001022865600 625042526 /nfs/dbraw/zinc/04/25/26/625042526.db2.gz AAJYHUIYDSPGQK-LZWOXQAQSA-N 0 3 320.820 2.370 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001022895400 625084861 /nfs/dbraw/zinc/08/48/61/625084861.db2.gz BTNURTUKBIWRRO-OKILXGFUSA-N 0 3 310.829 2.142 20 30 DEEDHN C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026007866 625111137 /nfs/dbraw/zinc/11/11/37/625111137.db2.gz KPSIYCRQDVSIAI-FZWVUDROSA-N 0 3 309.413 2.151 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNCc2cccnc2)[nH]1 ZINC001024933088 625113759 /nfs/dbraw/zinc/11/37/59/625113759.db2.gz PZOYPFNVZBPTAD-MRXNPFEDSA-N 0 3 323.400 2.066 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001023013416 625134472 /nfs/dbraw/zinc/13/44/72/625134472.db2.gz PGCLSRRXZKSGNG-GASCZTMLSA-N 0 3 321.808 2.248 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC000972502913 625144701 /nfs/dbraw/zinc/14/47/01/625144701.db2.gz ZAYBDVVJTRJANN-QWHCGFSZSA-N 0 3 321.446 2.327 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C[C@H]1C ZINC000947537560 625146408 /nfs/dbraw/zinc/14/64/08/625146408.db2.gz OVFPLSAYJTXHCG-DOMZBBRYSA-N 0 3 310.401 2.087 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001025037914 625155263 /nfs/dbraw/zinc/15/52/63/625155263.db2.gz OMSGLTLSNWMVEB-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001025040822 625157396 /nfs/dbraw/zinc/15/73/96/625157396.db2.gz MWMKEHVPWUMXED-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C[C@@H]1C ZINC000947542982 625171059 /nfs/dbraw/zinc/17/10/59/625171059.db2.gz PLESUILWXMLTGU-DZGCQCFKSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccsc2Cl)C1 ZINC000972533382 625194624 /nfs/dbraw/zinc/19/46/24/625194624.db2.gz JYAAMWUXLVSEDL-NSHDSACASA-N 0 3 314.838 2.499 20 30 DEEDHN CC[C@H](F)CN1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318323 625224884 /nfs/dbraw/zinc/22/48/84/625224884.db2.gz GBAYYLAFTHTXJK-STQMWFEESA-N 0 3 306.385 2.076 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nc(OC)c2)C[C@@H]1C ZINC000947663211 625246880 /nfs/dbraw/zinc/24/68/80/625246880.db2.gz RQFWJKABMRLGMG-ZFWWWQNUSA-N 0 3 303.406 2.167 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001023397785 625252828 /nfs/dbraw/zinc/25/28/28/625252828.db2.gz QVONPJVIEJHAEH-OAHLLOKOSA-N 0 3 314.433 2.073 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001007480992 625263363 /nfs/dbraw/zinc/26/33/63/625263363.db2.gz RHZCMOWTYIGWCF-LLVKDONJSA-N 0 3 310.829 2.396 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001023446190 625271840 /nfs/dbraw/zinc/27/18/40/625271840.db2.gz LNGQNPKYYAPYKS-GJZGRUSLSA-N 0 3 313.873 2.051 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(-n3cccc3)nc2)C1 ZINC000972568197 625273211 /nfs/dbraw/zinc/27/32/11/625273211.db2.gz QCFQDCDZNVCSDD-INIZCTEOSA-N 0 3 310.401 2.205 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001023453910 625275645 /nfs/dbraw/zinc/27/56/45/625275645.db2.gz KPSUXHBHKREZAW-ZBFHGGJFSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cccnc1 ZINC001025221702 625278943 /nfs/dbraw/zinc/27/89/43/625278943.db2.gz OVBHEWJELHCNTA-ROUUACIJSA-N 0 3 311.429 2.103 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001024439941 625776327 /nfs/dbraw/zinc/77/63/27/625776327.db2.gz IBZSWDJXPBWJEP-JKSUJKDBSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccn3C3CCCC3)[C@@H]2C1 ZINC000978910160 634452394 /nfs/dbraw/zinc/45/23/94/634452394.db2.gz GWNJJVKGNHBXJZ-OSYLJGHBSA-N 0 3 311.429 2.144 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCCN1C[C@H](C)OC ZINC001024479704 625809333 /nfs/dbraw/zinc/80/93/33/625809333.db2.gz NQMNISCWKASPDJ-HOTGVXAUSA-N 0 3 319.449 2.293 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001024540888 625859140 /nfs/dbraw/zinc/85/91/40/625859140.db2.gz PGAIVMGVVZYRRP-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490882 625886659 /nfs/dbraw/zinc/88/66/59/625886659.db2.gz YRAXVPDQHIMRTR-OPQQBVKSSA-N 0 3 306.749 2.412 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc(C(C)C)s2)C1 ZINC001027707942 634469379 /nfs/dbraw/zinc/46/93/79/634469379.db2.gz OKPCDLQNVCSIPM-CYBMUJFWSA-N 0 3 305.447 2.436 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ncoc2C2CC2)C1 ZINC000999648199 634649866 /nfs/dbraw/zinc/64/98/66/634649866.db2.gz XGOJIJGHRSPUSM-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979506644 634667077 /nfs/dbraw/zinc/66/70/77/634667077.db2.gz SGOCXAUOTBWHDK-KKUMJFAQSA-N 0 3 300.402 2.409 20 30 DEEDHN C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979506644 634667082 /nfs/dbraw/zinc/66/70/82/634667082.db2.gz SGOCXAUOTBWHDK-KKUMJFAQSA-N 0 3 300.402 2.409 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC000999875221 634698144 /nfs/dbraw/zinc/69/81/44/634698144.db2.gz DWCCALRHKVNGGP-INIZCTEOSA-N 0 3 316.449 2.468 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000999919915 634707287 /nfs/dbraw/zinc/70/72/87/634707287.db2.gz HNKOTCICYZGTMV-ZOWXZIJZSA-N 0 3 303.431 2.356 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCN1C ZINC000925345261 634714461 /nfs/dbraw/zinc/71/44/61/634714461.db2.gz XCNPECYRZISZAW-BBRMVZONSA-N 0 3 312.417 2.329 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)cn3)C[C@H]2C1 ZINC000979660758 634729223 /nfs/dbraw/zinc/72/92/23/634729223.db2.gz RMNPFQVQCHWTNI-MELADBBJSA-N 0 3 322.840 2.003 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)C3(CF)CC3)C2)s1 ZINC001000162962 634772055 /nfs/dbraw/zinc/77/20/55/634772055.db2.gz WAQUYRXULJKTCR-LBPRGKRZSA-N 0 3 321.421 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000836488868 650097850 /nfs/dbraw/zinc/09/78/50/650097850.db2.gz SLRMZJBODIGUDU-SFHVURJKSA-N 0 3 313.445 2.358 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001024696745 632929293 /nfs/dbraw/zinc/92/92/93/632929293.db2.gz LZLJSDQGZCTRHY-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=CCn1cc(C(=O)NC[C@H]2CCCCN2CC=C(C)C)nn1 ZINC001024697835 632929808 /nfs/dbraw/zinc/92/98/08/632929808.db2.gz CJLGPFIINLPCCY-OAHLLOKOSA-N 0 3 317.437 2.015 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C(C)(C)C1 ZINC000974584869 633166368 /nfs/dbraw/zinc/16/63/68/633166368.db2.gz FEEKZBPLYDVMHP-JKSUJKDBSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C(C)(C)C1 ZINC000974602529 633168461 /nfs/dbraw/zinc/16/84/61/633168461.db2.gz LWECRICEVZMLOE-JYJNAYRXSA-N 0 3 308.466 2.450 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C(C)(C)C1 ZINC000974630181 633184407 /nfs/dbraw/zinc/18/44/07/633184407.db2.gz CCENVZIKCWTITG-OAHLLOKOSA-N 0 3 316.449 2.102 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OCC)nc2)C(C)(C)C1 ZINC000974648085 633193414 /nfs/dbraw/zinc/19/34/14/633193414.db2.gz ZUAFGNGJYMBCFI-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000996225780 633215590 /nfs/dbraw/zinc/21/55/90/633215590.db2.gz FGLLUJBTMLJJJS-YJBOKZPZSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H](NCc3cncn3C)C(C)(C)C2)C1 ZINC000996255393 633224225 /nfs/dbraw/zinc/22/42/25/633224225.db2.gz NVXIOFBCUBZETF-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)Cc3ccc(C)o3)C[C@]2(C)C1 ZINC000982262194 635929180 /nfs/dbraw/zinc/92/91/80/635929180.db2.gz YSQQCONOPALYKB-KDURUIRLSA-N 0 3 314.429 2.324 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(F)c(F)c2)C(C)(C)C1 ZINC000974694132 633245183 /nfs/dbraw/zinc/24/51/83/633245183.db2.gz ZNPSNKAWPSUSDA-OAHLLOKOSA-N 0 3 306.356 2.428 20 30 DEEDHN Cc1nc(CNC2CCN(C(=O)C#CC3CC3)CC2)sc1C ZINC000996384023 633251900 /nfs/dbraw/zinc/25/19/00/633251900.db2.gz SOBYNFHRKQNWAD-UHFFFAOYSA-N 0 3 317.458 2.254 20 30 DEEDHN 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CC#CCN1CC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C[C@@H]1C ZINC000947360745 635949186 /nfs/dbraw/zinc/94/91/86/635949186.db2.gz IJUNFOGLFJWOQJ-GJZGRUSLSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001028265426 635982571 /nfs/dbraw/zinc/98/25/71/635982571.db2.gz DWWXRWTVNQJGJN-MAUKXSAKSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000932140889 635984442 /nfs/dbraw/zinc/98/44/42/635984442.db2.gz LVXDUUXACMUZFC-STQMWFEESA-N 0 3 320.355 2.253 20 30 DEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)C#CC(C)(C)C)cc1 ZINC000837609561 650230558 /nfs/dbraw/zinc/23/05/58/650230558.db2.gz OGSMAOBRUYPCBW-MRXNPFEDSA-N 0 3 302.418 2.464 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1CCC(F)(F)C1)C1CCN(C)CC1 ZINC000922303441 636073839 /nfs/dbraw/zinc/07/38/39/636073839.db2.gz JNCRHCQACDNCLK-CYBMUJFWSA-N 0 3 313.392 2.161 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001028298535 636118318 /nfs/dbraw/zinc/11/83/18/636118318.db2.gz 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C=C(C)CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895579419 638100164 /nfs/dbraw/zinc/10/01/64/638100164.db2.gz SEQCTGYMHRSOHG-INIZCTEOSA-N 0 3 320.437 2.162 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000745502040 638267387 /nfs/dbraw/zinc/26/73/87/638267387.db2.gz VGRXTMZHOTYFIO-IBGZPJMESA-N 0 3 323.440 2.492 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ncnc2[nH]cnc21 ZINC000751525673 639089650 /nfs/dbraw/zinc/08/96/50/639089650.db2.gz FFIRYEHJSZJOJV-LBPRGKRZSA-N 0 3 321.388 2.273 20 30 DEEDHN C#CCOc1ccc(CN2CCC([C@H]3COC(=O)N3)CC2)cc1 ZINC000897028329 639132225 /nfs/dbraw/zinc/13/22/25/639132225.db2.gz XIMPDYRWGIPMDW-QGZVFWFLSA-N 0 3 314.385 2.019 20 30 DEEDHN COc1cccc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)n1 ZINC000752161698 639159427 /nfs/dbraw/zinc/15/94/27/639159427.db2.gz UMBNDHXZVDUQRS-ZDUSSCGKSA-N 0 3 309.325 2.360 20 30 DEEDHN Cc1nsc(C)c1CN(C)C[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001029677424 639413878 /nfs/dbraw/zinc/41/38/78/639413878.db2.gz LWWLONQULAAZCR-RISCZKNCSA-N 0 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C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2nsc3ccccc23)C1 ZINC000989819984 641242710 /nfs/dbraw/zinc/24/27/10/641242710.db2.gz QMJJLRUSLMNTGN-STQMWFEESA-N 0 3 313.426 2.051 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000989832909 641245229 /nfs/dbraw/zinc/24/52/29/641245229.db2.gz ZTPBQXIPEWWXQV-NWDGAFQWSA-N 0 3 305.447 2.266 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cncnc3C)CCC[C@H]12 ZINC000989960754 641306705 /nfs/dbraw/zinc/30/67/05/641306705.db2.gz NADYERXBWPNMMM-DOTOQJQBSA-N 0 3 300.406 2.088 20 30 DEEDHN C=CCCCCCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000805446384 641540440 /nfs/dbraw/zinc/54/04/40/641540440.db2.gz OYOHWCCFNSCKMK-UHFFFAOYSA-N 0 3 324.513 2.448 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccc(C)nn3)CCC[C@H]12 ZINC000990665547 641586114 /nfs/dbraw/zinc/58/61/14/641586114.db2.gz WGWJINZBWJQMBS-RDJZCZTQSA-N 0 3 300.406 2.088 20 30 DEEDHN C#CC[C@H]1NC(=O)N(C[C@H](c2ccsc2)N(CC)CC)C1=O ZINC000842236137 650675248 /nfs/dbraw/zinc/67/52/48/650675248.db2.gz 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C#CCC1(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CCCCC1 ZINC000788520113 643619679 /nfs/dbraw/zinc/61/96/79/643619679.db2.gz GHIBSNRUSFRSME-LSDHHAIUSA-N 0 3 308.491 2.464 20 30 DEEDHN COC(=O)CCN1CCC(=NNCc2cccc(C)c2)CC1 ZINC000788718393 643639438 /nfs/dbraw/zinc/63/94/38/643639438.db2.gz QTJWCIXESICUCE-UHFFFAOYSA-N 0 3 303.406 2.100 20 30 DEEDHN Cn1ccc(C(=O)N2CCC(NCc3ccccc3C#N)CC2)c1 ZINC000991054042 643697535 /nfs/dbraw/zinc/69/75/35/643697535.db2.gz BJIPIFAOFMFEPA-UHFFFAOYSA-N 0 3 322.412 2.291 20 30 DEEDHN C=C(C)CNC(=S)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000789397067 643726804 /nfs/dbraw/zinc/72/68/04/643726804.db2.gz YWGPZABKYCRDFA-HNNXBMFYSA-N 0 3 307.463 2.338 20 30 DEEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(OC)c1OC ZINC000905081520 643778267 /nfs/dbraw/zinc/77/82/67/643778267.db2.gz RSNRWRGIVURFGV-JTTRITNRSA-N 0 3 315.329 2.145 20 30 DEEDHN COc1cc2c(cc1/C=C1\C(=O)c3ncnn3C1C)O[C@H](C)C2 ZINC000905081873 643778269 /nfs/dbraw/zinc/77/82/69/643778269.db2.gz TYDNMRIILZPJDD-YZNUNNOVSA-N 0 3 311.341 2.451 20 30 DEEDHN CC[C@](O)(CNCc1ccc(OCC#N)cc1)C(F)(F)F ZINC000905088424 643780624 /nfs/dbraw/zinc/78/06/24/643780624.db2.gz ILWUDFIFEWGROV-ZDUSSCGKSA-N 0 3 302.296 2.382 20 30 DEEDHN CCOCc1nc(C)cc(N=NC2CN(C(C)C)C[C@H]2C)n1 ZINC000905504056 643927475 /nfs/dbraw/zinc/92/74/75/643927475.db2.gz FDDAKOUERSRTMM-GFCCVEGCSA-N 0 3 305.426 2.450 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCc2cccnc21 ZINC000905603452 643960577 /nfs/dbraw/zinc/96/05/77/643960577.db2.gz WXCWQXDBXHCQKV-IAGOWNOFSA-N 0 3 323.396 2.360 20 30 DEEDHN COC(=O)C1CC2(C1)C[C@@H](NC[C@@H](C#N)CCC#N)CCS2 ZINC000905696662 644016527 /nfs/dbraw/zinc/01/65/27/644016527.db2.gz PSZCEIMDTWJWJY-RXFTYZNJSA-N 0 3 321.446 2.237 20 30 DEEDHN CN(CCOCC(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370285 651119434 /nfs/dbraw/zinc/11/94/34/651119434.db2.gz QGLFQMBBXCGQFZ-CYBMUJFWSA-N 0 3 302.296 2.102 20 30 DEEDHN CCCOC(=O)[C@@H](C)OC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000795816002 644640964 /nfs/dbraw/zinc/64/09/64/644640964.db2.gz FRRYJPWHYXVNQJ-DOMZBBRYSA-N 0 3 314.341 2.125 20 30 DEEDHN N#Cc1ccc(C[C@@H](C#N)C(=O)OCCN2CCCCC2)cc1 ZINC000795822470 644642392 /nfs/dbraw/zinc/64/23/92/644642392.db2.gz DWJPFQCBDYFVMW-KRWDZBQOSA-N 0 3 311.385 2.270 20 30 DEEDHN N#CC(C(=O)C1CCC(NC(=O)C2CC2)CC1)c1ccccn1 ZINC000796631190 644767564 /nfs/dbraw/zinc/76/75/64/644767564.db2.gz HRFLCCBMJSNPPE-ZALBZXLWSA-N 0 3 311.385 2.343 20 30 DEEDHN N#CC(C(=O)COC(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000796792356 644793610 /nfs/dbraw/zinc/79/36/10/644793610.db2.gz GXQTVNQGARXZMS-ZETCQYMHSA-N 0 3 320.654 2.366 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4cc[nH]c4n3)CCC[C@H]12 ZINC000991142690 644871582 /nfs/dbraw/zinc/87/15/82/644871582.db2.gz HIPBJLWQCLFENT-YJBOKZPZSA-N 0 3 310.401 2.476 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](c3ccccn3)C2)CC1 ZINC000798406826 645012295 /nfs/dbraw/zinc/01/22/95/645012295.db2.gz YXAMIXPTZWWIQE-OAHLLOKOSA-N 0 3 314.433 2.231 20 30 DEEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801919940 645461813 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/nfs/dbraw/zinc/77/02/82/646770282.db2.gz UFPBLBXDTYPYJC-KFWWJZLASA-N 0 3 300.358 2.345 20 30 DEEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986869 646786085 /nfs/dbraw/zinc/78/60/85/646786085.db2.gz CFALZSYNUZJTNS-HNNXBMFYSA-N 0 3 316.357 2.325 20 30 DEEDHN C=C(CO)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000813752385 646805163 /nfs/dbraw/zinc/80/51/63/646805163.db2.gz RTPGKZZDUSPZLE-QGZVFWFLSA-N 0 3 304.434 2.153 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccccc2N(C)CC)CC1 ZINC000730241025 646857359 /nfs/dbraw/zinc/85/73/59/646857359.db2.gz QQEZBTOFKINAEM-UHFFFAOYSA-N 0 3 313.445 2.104 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc4n3CCCC4)CCC[C@@H]12 ZINC000992127393 646864632 /nfs/dbraw/zinc/86/46/32/646864632.db2.gz JAEKDVKKLHOJQM-CRAIPNDOSA-N 0 3 314.433 2.132 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3noc4c3CCCC4)CCC[C@@H]12 ZINC000992261468 646918840 /nfs/dbraw/zinc/91/88/40/646918840.db2.gz PXCPPVJYHOZPPF-CRAIPNDOSA-N 0 3 315.417 2.466 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C3Cc4ccccc4C3)CCC[C@@H]12 ZINC000992295036 646933067 /nfs/dbraw/zinc/93/30/67/646933067.db2.gz SCBOUKNRKAHGTI-UYAOXDASSA-N 0 3 308.425 2.148 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3csc4cncn43)CCC[C@@H]12 ZINC000992308850 646941082 /nfs/dbraw/zinc/94/10/82/646941082.db2.gz ZKLBXGWWINCCJR-CJNGLKHVSA-N 0 3 316.430 2.309 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc(C)nc3C)CCC[C@@H]12 ZINC000992325826 646947820 /nfs/dbraw/zinc/94/78/20/646947820.db2.gz DVBIPJYIALQYFK-WBVHZDCISA-N 0 3 300.406 2.006 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1c(CC)cccc1CC ZINC000815083397 646964888 /nfs/dbraw/zinc/96/48/88/646964888.db2.gz WFWQFPATAAPOBI-UHFFFAOYSA-N 0 3 322.474 2.045 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc(F)cc3)CCC[C@H]12 ZINC000992466207 647039357 /nfs/dbraw/zinc/03/93/57/647039357.db2.gz KOZWUDHONFKHTH-WMZOPIPTSA-N 0 3 300.377 2.115 20 30 DEEDHN CO[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000815907392 647064963 /nfs/dbraw/zinc/06/49/63/647064963.db2.gz ZOFJSLOGFBJTDJ-OAGGEKHMSA-N 0 3 314.385 2.217 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(N(C)C)ccn3)CCC[C@H]12 ZINC000992521282 647086765 /nfs/dbraw/zinc/08/67/65/647086765.db2.gz AZOYGQPITBBPOB-WMZOPIPTSA-N 0 3 314.433 2.060 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3cc4n(c3)CCCC4)CCC[C@H]12 ZINC000992543454 647101733 /nfs/dbraw/zinc/10/17/33/647101733.db2.gz GTZKTDCJIMQHBP-PKOBYXMFSA-N 0 3 311.429 2.184 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCOCC4)CCC[C@@H]12 ZINC000992552677 647108297 /nfs/dbraw/zinc/10/82/97/647108297.db2.gz YKNIHVXPOSUURK-HDMKZQKVSA-N 0 3 304.434 2.102 20 30 DEEDHN C=CCc1cc(OCC)cc(CN2CC[C@@H](NC(C)=O)C2)c1O ZINC000817367277 647278207 /nfs/dbraw/zinc/27/82/07/647278207.db2.gz GMXMAQLTQSAYCH-MRXNPFEDSA-N 0 3 318.417 2.230 20 30 DEEDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000818049325 647413770 /nfs/dbraw/zinc/41/37/70/647413770.db2.gz YBAYJIIXTSEFLD-ZDUSSCGKSA-N 0 3 324.768 2.228 20 30 DEEDHN COc1cc(CNC(=O)[C@H](N)CCCC#N)ccc1OC(C)C ZINC000818058357 647414633 /nfs/dbraw/zinc/41/46/33/647414633.db2.gz GPWJTUQWTQBXCV-CQSZACIVSA-N 0 3 319.405 2.120 20 30 DEEDHN CC(C)=CCN1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000993168832 647469124 /nfs/dbraw/zinc/46/91/24/647469124.db2.gz JCFDUJITRMQTTA-UKRRQHHQSA-N 0 3 300.406 2.435 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 ZINC000818584767 647483785 /nfs/dbraw/zinc/48/37/85/647483785.db2.gz XTGXGFOXLZKHMI-BBWFWOEESA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000818589189 647483833 /nfs/dbraw/zinc/48/38/33/647483833.db2.gz UANPXJMOMKJVQZ-UHFFFAOYSA-N 0 3 313.376 2.301 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)nc1 ZINC000819310523 647631243 /nfs/dbraw/zinc/63/12/43/647631243.db2.gz BUYJTRCZAHOSNX-INIZCTEOSA-N 0 3 301.777 2.300 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@H]1C ZINC000993509359 647682926 /nfs/dbraw/zinc/68/29/26/647682926.db2.gz AKJCDBRNDRKEIG-ZBFHGGJFSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@H]1C ZINC000993506333 647683213 /nfs/dbraw/zinc/68/32/13/647683213.db2.gz DBGPKNNFBPJTGE-ZBFHGGJFSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H]1C ZINC000993488313 647685581 /nfs/dbraw/zinc/68/55/81/647685581.db2.gz NKQNGFMLQUVCOP-XJKSGUPXSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cnccc2OC)[C@@H]1C ZINC000993487729 647685921 /nfs/dbraw/zinc/68/59/21/647685921.db2.gz HMLKYIMPPCOPNH-HOCLYGCPSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(OCC)no2)[C@H]1C ZINC000993612524 647706994 /nfs/dbraw/zinc/70/69/94/647706994.db2.gz IKTDRAAFONEMMG-OLZOCXBDSA-N 0 3 307.394 2.232 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nccc3occc32)[C@@H]1C ZINC000993636280 647713126 /nfs/dbraw/zinc/71/31/26/647713126.db2.gz WHOCZFVAUNBCBC-ZFWWWQNUSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H]1C ZINC000993666005 647719993 /nfs/dbraw/zinc/71/99/93/647719993.db2.gz VZAVAQOUWGHMGA-XJKSGUPXSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2c(F)cccc2F)[C@@H]1C ZINC000993707667 647727902 /nfs/dbraw/zinc/72/79/02/647727902.db2.gz BGAOTEFQWAYILO-GUYCJALGSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccnc(OCC)c2)[C@@H]1C ZINC000993769536 647744953 /nfs/dbraw/zinc/74/49/53/647744953.db2.gz HOZTURXKPFUIKK-HOCLYGCPSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H]1C ZINC000993974270 647772539 /nfs/dbraw/zinc/77/25/39/647772539.db2.gz PDBRPPCEYSGYTI-UKRRQHHQSA-N 0 3 302.422 2.252 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn3ccccc23)[C@@H]1C ZINC000994014143 647777793 /nfs/dbraw/zinc/77/77/93/647777793.db2.gz YIVYMVOCTKNHGA-HOCLYGCPSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCN(CC)[C@@H]1C ZINC000994211649 647805664 /nfs/dbraw/zinc/80/56/64/647805664.db2.gz ZHNVNWDXWRLENL-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCN(CC)[C@H]1C ZINC000994211646 647806363 /nfs/dbraw/zinc/80/63/63/647806363.db2.gz ZHNVNWDXWRLENL-KBPBESRZSA-N 0 3 303.406 2.249 20 30 DEEDHN C#C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000820439571 647844633 /nfs/dbraw/zinc/84/46/33/647844633.db2.gz ALRNYMDUINLDHW-CYBMUJFWSA-N 0 3 307.825 2.435 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H]1C ZINC000994340411 647913463 /nfs/dbraw/zinc/91/34/63/647913463.db2.gz UQTHWEMRFWTPEQ-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000916918576 647939728 /nfs/dbraw/zinc/93/97/28/647939728.db2.gz NUIHDRPZXHGYQH-HNNXBMFYSA-N 0 3 314.385 2.374 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccc(Cl)nc2)cc1 ZINC000917015664 647955568 /nfs/dbraw/zinc/95/55/68/647955568.db2.gz ZZYGRQGAMMFRHO-CQSZACIVSA-N 0 3 317.776 2.136 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C=CCC1 ZINC000821091731 647988529 /nfs/dbraw/zinc/98/85/29/647988529.db2.gz FHFQCPHNIDQHGP-KRWDZBQOSA-N 0 3 312.417 2.350 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)C(C)(C)C#N)cc2)CC1 ZINC000917607253 648017286 /nfs/dbraw/zinc/01/72/86/648017286.db2.gz DHXVWUYJKYDTTE-UHFFFAOYSA-N 0 3 300.406 2.317 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@@H](C#N)C1)N(C)Cc1ccccc1 ZINC000917872511 648037082 /nfs/dbraw/zinc/03/70/82/648037082.db2.gz GFCNMBNVWSKSSD-WBVHZDCISA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000822880202 648310069 /nfs/dbraw/zinc/31/00/69/648310069.db2.gz ZKTQLWMIXZFMKP-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2N(C)C)C[C@@H]1C ZINC000948089515 648352170 /nfs/dbraw/zinc/35/21/70/648352170.db2.gz CCXUVHAYWIOADX-JKSUJKDBSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000826585397 648883926 /nfs/dbraw/zinc/88/39/26/648883926.db2.gz MRPMGPCWHWKXAH-IAGOWNOFSA-N 0 3 314.429 2.148 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3cccnc3n2)C[C@@H]1C ZINC000947327766 648952088 /nfs/dbraw/zinc/95/20/88/648952088.db2.gz IUFHMFDUYWVVGD-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3cccnc3n2)C[C@H]1C ZINC000947327768 648952297 /nfs/dbraw/zinc/95/22/97/648952297.db2.gz IUFHMFDUYWVVGD-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)ncn2)C(C)(C)C1 ZINC000940837562 648954113 /nfs/dbraw/zinc/95/41/13/648954113.db2.gz WADOYRYESVBVIS-ZDUSSCGKSA-N 0 3 324.375 2.431 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)C(C)(C)C1 ZINC000940935430 648970366 /nfs/dbraw/zinc/97/03/66/648970366.db2.gz BKGPSZFLIYGMKG-HNNXBMFYSA-N 0 3 304.438 2.379 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccnc2OC)C(C)(C)C1 ZINC000941003147 648981567 /nfs/dbraw/zinc/98/15/67/648981567.db2.gz SWTLIRVXJPFQLJ-CQSZACIVSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CCC)c2)C(C)(C)C1 ZINC000941070856 648998593 /nfs/dbraw/zinc/99/85/93/648998593.db2.gz FXLDVQNRRYHBQB-HNNXBMFYSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C)nc2C)C(C)(C)C1 ZINC000941106883 649001571 /nfs/dbraw/zinc/00/15/71/649001571.db2.gz CZPDBQRTOBDFNU-HNNXBMFYSA-N 0 3 302.422 2.110 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccn3ccnc23)C(C)(C)C1 ZINC000941096842 649002767 /nfs/dbraw/zinc/00/27/67/649002767.db2.gz KNFIFJORSGMVTA-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)C(F)F ZINC000941706112 649076999 /nfs/dbraw/zinc/07/69/99/649076999.db2.gz WLFOFFKBPKDGRM-RISCZKNCSA-N 0 3 307.344 2.150 20 30 DEEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1NC(=O)c1cocn1 ZINC000941885411 649111805 /nfs/dbraw/zinc/11/18/05/649111805.db2.gz MEBBYVGXDHITKW-XJKSGUPXSA-N 0 3 324.384 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C1 ZINC000942042999 649140508 /nfs/dbraw/zinc/14/05/08/649140508.db2.gz XBRDBGUQFUPSPM-LSDHHAIUSA-N 0 3 316.449 2.007 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@@H](C)C1 ZINC000942090627 649153866 /nfs/dbraw/zinc/15/38/66/649153866.db2.gz BVWIMVKDVVLWNO-WCQYABFASA-N 0 3 324.375 2.050 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC(C)C)nc2)[C@@H](C)C1 ZINC000942107611 649157422 /nfs/dbraw/zinc/15/74/22/649157422.db2.gz YWSIIIBOFDJHCK-GOEBONIOSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H](C)C1 ZINC000942127953 649163309 /nfs/dbraw/zinc/16/33/09/649163309.db2.gz ABSIINPSUAPDJC-WBMJQRKESA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)[C@@H](C)C1 ZINC000942129355 649163509 /nfs/dbraw/zinc/16/35/09/649163509.db2.gz JDOUKHNINPMXQT-BBRMVZONSA-N 0 3 323.396 2.014 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@@H](C)C1 ZINC000942146898 649167682 /nfs/dbraw/zinc/16/76/82/649167682.db2.gz CASRDQZUAJVRIW-GOEBONIOSA-N 0 3 312.417 2.269 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](C)C1 ZINC000942172051 649173587 /nfs/dbraw/zinc/17/35/87/649173587.db2.gz IQYWEBIRLMMVGX-DZGCQCFKSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)[C@@H](C)C1 ZINC000942196542 649180678 /nfs/dbraw/zinc/18/06/78/649180678.db2.gz QZXVIJUTPKAFLD-DZGCQCFKSA-N 0 3 312.417 2.200 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@@H](C)C1 ZINC000942523859 649233900 /nfs/dbraw/zinc/23/39/00/649233900.db2.gz XNVYPNZXDNAENH-DOTOQJQBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)[C@H](C)C1 ZINC000942527466 649234622 /nfs/dbraw/zinc/23/46/22/649234622.db2.gz MRFHZPRDDXYCGN-DOMZBBRYSA-N 0 3 314.389 2.296 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2sc(C)nc2C)[C@@H](C)C1 ZINC000942524824 649236328 /nfs/dbraw/zinc/23/63/28/649236328.db2.gz DMNQNRCQDKIJHA-SWLSCSKDSA-N 0 3 319.474 2.152 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000942546495 649241700 /nfs/dbraw/zinc/24/17/00/649241700.db2.gz VUQKOTONMGMWMT-XJKSGUPXSA-N 0 3 323.396 2.014 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncc(OC(C)C)c2)[C@@H](C)C1 ZINC000942557927 649244448 /nfs/dbraw/zinc/24/44/48/649244448.db2.gz OXKJTPDVBKAXJD-WMLDXEAASA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](C)C1 ZINC000942556015 649245990 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N#Cc1ccc([C@H](O)CN[C@@H](CCO)c2ccccc2F)cc1 ZINC000830350648 649431099 /nfs/dbraw/zinc/43/10/99/649431099.db2.gz FEUUKWLFPHXGAO-ZWKOTPCHSA-N 0 3 314.360 2.444 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@H](C)C1 ZINC000943947237 649461416 /nfs/dbraw/zinc/46/14/16/649461416.db2.gz FXTRVGVWOCLJHV-CABCVRRESA-N 0 3 316.449 2.007 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@H](C)C1 ZINC000944014776 649471851 /nfs/dbraw/zinc/47/18/51/649471851.db2.gz FZIZPSXZAALDQE-CJNGLKHVSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@H](C)C1 ZINC000944078426 649479875 /nfs/dbraw/zinc/47/98/75/649479875.db2.gz GOLUIUKVUHRLHU-CZUORRHYSA-N 0 3 304.438 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c3ccccc32)[C@@H](C)C1 ZINC000944225263 649500306 /nfs/dbraw/zinc/50/03/06/649500306.db2.gz ARVHHNOUWLQADP-DZGCQCFKSA-N 0 3 312.417 2.200 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000944242251 649502047 /nfs/dbraw/zinc/50/20/47/649502047.db2.gz 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CC#CCN1CCC2(C[C@@H]2NC(=O)c2sccc2F)CC1 ZINC001016612247 687665119 /nfs/dbraw/zinc/66/51/19/687665119.db2.gz JFOYALNIVAVLPJ-ZDUSSCGKSA-N 0 3 306.406 2.495 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2c(C)cncc2C)CC1 ZINC001016729023 687691281 /nfs/dbraw/zinc/69/12/81/687691281.db2.gz AMBFJCDEYUVHDQ-INIZCTEOSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001016737328 687692916 /nfs/dbraw/zinc/69/29/16/687692916.db2.gz WYURFEBULJEOTM-HOTGVXAUSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccn(CC)c2C)CC1 ZINC001016790012 687702985 /nfs/dbraw/zinc/70/29/85/687702985.db2.gz KPCMKPDMYMUSCQ-KRWDZBQOSA-N 0 3 313.445 2.424 20 30 DEEDHN C[C@H](NC(=O)[C@@]1(C#N)CCCOC1)[C@@H](c1ccccc1)N(C)C ZINC000867471008 687708034 /nfs/dbraw/zinc/70/80/34/687708034.db2.gz VWWJAGMLLQVNSB-QILLFSRXSA-N 0 3 315.417 2.114 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2csc(Cl)n2)CC1 ZINC001016919951 687734045 /nfs/dbraw/zinc/73/40/45/687734045.db2.gz 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/nfs/dbraw/zinc/89/53/78/687895378.db2.gz WUFWSAZMVCFBKF-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCOCC1 ZINC001017943178 688006718 /nfs/dbraw/zinc/00/67/18/688006718.db2.gz APPOGTILVHECRV-IYBDPMFKSA-N 0 3 324.440 2.394 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@H]1c1ccco1 ZINC000868652261 688091781 /nfs/dbraw/zinc/09/17/81/688091781.db2.gz AVSFTPVGDIHYJU-OAHLLOKOSA-N 0 3 303.406 2.327 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc(C)cn1 ZINC001018304837 688105206 /nfs/dbraw/zinc/10/52/06/688105206.db2.gz VLMRJUNEDYLQOM-CALCHBBNSA-N 0 3 316.449 2.223 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001018356762 688116244 /nfs/dbraw/zinc/11/62/44/688116244.db2.gz WXLHUMZSKCOGHK-BHYGNILZSA-N 0 3 316.449 2.165 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001019408448 688348388 /nfs/dbraw/zinc/34/83/88/688348388.db2.gz BDECETLUHPFFMK-TYNCELHUSA-N 0 3 303.431 2.356 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC001019563181 688375116 /nfs/dbraw/zinc/37/51/16/688375116.db2.gz YRYOPTAONDRSFX-KRWDZBQOSA-N 0 3 305.381 2.186 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC001019918013 688421275 /nfs/dbraw/zinc/42/12/75/688421275.db2.gz BMLRPJAUVNZVBQ-WKILWMFISA-N 0 3 313.401 2.104 20 30 DEEDHN C[C@H](C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1)C1CC1 ZINC001020049770 688450809 /nfs/dbraw/zinc/45/08/09/688450809.db2.gz JXTKQYVPBJPRMV-UVBJJODRSA-N 0 3 315.392 2.480 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001020059173 688454574 /nfs/dbraw/zinc/45/45/74/688454574.db2.gz IVSHDSSQPFPHEM-XYPYZODXSA-N 0 3 312.211 2.082 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(OCC)nc2)C1 ZINC001020210181 688485697 /nfs/dbraw/zinc/48/56/97/688485697.db2.gz YDOJITWYVRHWET-JOCQHMNTSA-N 0 3 309.797 2.083 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001020225755 688487678 /nfs/dbraw/zinc/48/76/78/688487678.db2.gz 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/nfs/dbraw/zinc/14/54/25/689145425.db2.gz OUITXXFKEQLLIF-ULQDDVLXSA-N 0 3 312.413 2.241 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cccn2)cc1 ZINC001032446880 689153932 /nfs/dbraw/zinc/15/39/32/689153932.db2.gz QIWGRVZCDMMTEU-ROUUACIJSA-N 0 3 322.412 2.347 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2cccnc21 ZINC001032452056 689155353 /nfs/dbraw/zinc/15/53/53/689155353.db2.gz GIYRUPNGNYPBIK-HOTGVXAUSA-N 0 3 322.412 2.495 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cn[nH]c21 ZINC001032554090 689185197 /nfs/dbraw/zinc/18/51/97/689185197.db2.gz QJNKKESRYGPNEW-GJZGRUSLSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(OCC)C1 ZINC001032581562 689193805 /nfs/dbraw/zinc/19/38/05/689193805.db2.gz YSYFSFRFHNSULO-YZUHTNEWSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1C ZINC001032596392 689197007 /nfs/dbraw/zinc/19/70/07/689197007.db2.gz DGJQOXJZJYNDHY-GJZGRUSLSA-N 0 3 300.402 2.478 20 30 DEEDHN C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2cccs2)[nH]n1 ZINC001032641797 689209562 /nfs/dbraw/zinc/20/95/62/689209562.db2.gz JTLFIXOAOCRMIH-RYUDHWBXSA-N 0 3 314.414 2.223 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1ccnc1 ZINC001032656921 689214942 /nfs/dbraw/zinc/21/49/42/689214942.db2.gz QOHAHHNOUBNXET-PMPSAXMXSA-N 0 3 302.422 2.086 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001032672927 689220527 /nfs/dbraw/zinc/22/05/27/689220527.db2.gz PAYGAOLBIXJPLN-HOTGVXAUSA-N 0 3 315.417 2.215 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C ZINC001032723355 689237363 /nfs/dbraw/zinc/23/73/63/689237363.db2.gz DHDHWEJUGSSNTM-GJZGRUSLSA-N 0 3 315.417 2.201 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(COC)c1 ZINC001032729448 689239619 /nfs/dbraw/zinc/23/96/19/689239619.db2.gz ZGZLGSWKKNBUFK-ROUUACIJSA-N 0 3 314.429 2.237 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c2ccccc21 ZINC001032741196 689243164 /nfs/dbraw/zinc/24/31/64/689243164.db2.gz AXMZPFYDAMMJGJ-GJZGRUSLSA-N 0 3 324.428 2.438 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cncc(Cl)c2C)C1 ZINC001033161001 689409115 /nfs/dbraw/zinc/40/91/15/689409115.db2.gz OVIALJOHNSNMTC-ZDUSSCGKSA-N 0 3 305.809 2.213 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001033190871 689417970 /nfs/dbraw/zinc/41/79/70/689417970.db2.gz JNTFINHRMPNPHN-OAHLLOKOSA-N 0 3 319.836 2.142 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001033195628 689420848 /nfs/dbraw/zinc/42/08/48/689420848.db2.gz IMCMXICXOVZGRE-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001033195629 689421406 /nfs/dbraw/zinc/42/14/06/689421406.db2.gz IMCMXICXOVZGRE-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(F)cc(C)cc2F)C1 ZINC001033255823 689440642 /nfs/dbraw/zinc/44/06/42/689440642.db2.gz ZMXVHMUPLFCDQI-CYBMUJFWSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001033259458 689441429 /nfs/dbraw/zinc/44/14/29/689441429.db2.gz MKUFESKLKVJUTE-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001033286612 689450464 /nfs/dbraw/zinc/45/04/64/689450464.db2.gz MDZFUUNSXLKCAS-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001033286605 689450632 /nfs/dbraw/zinc/45/06/32/689450632.db2.gz MDZFUUNSXLKCAS-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033353045 689473831 /nfs/dbraw/zinc/47/38/31/689473831.db2.gz DALYRHGFLBZRBL-IAGOWNOFSA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033363903 689476786 /nfs/dbraw/zinc/47/67/86/689476786.db2.gz XCMFVXAYOYMSPO-DOTOQJQBSA-N 0 3 300.377 2.021 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2c(F)cccc2F)C1 ZINC001033382887 689482402 /nfs/dbraw/zinc/48/24/02/689482402.db2.gz HXUCXPSTLYOJJB-CYBMUJFWSA-N 0 3 306.356 2.063 20 30 DEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000874828826 689503853 /nfs/dbraw/zinc/50/38/53/689503853.db2.gz YFLXRLIMTGTYLF-CABCVRRESA-N 0 3 305.328 2.145 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000874834314 689508687 /nfs/dbraw/zinc/50/86/87/689508687.db2.gz RETJSBXCBHFTCJ-IAGOWNOFSA-N 0 3 309.413 2.285 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)CSc1ccc(C#N)cc1 ZINC000874840092 689512462 /nfs/dbraw/zinc/51/24/62/689512462.db2.gz JWZAHTZJNVHAEZ-HOTGVXAUSA-N 0 3 315.442 2.345 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033547879 689537785 /nfs/dbraw/zinc/53/77/85/689537785.db2.gz LWTGGRLKJJLLHH-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001033577494 689549311 /nfs/dbraw/zinc/54/93/11/689549311.db2.gz DAHMKYXHQLQJJF-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001033601105 689555923 /nfs/dbraw/zinc/55/59/23/689555923.db2.gz JWJXJICWPKSMJG-HZPDHXFCSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001033620996 689561994 /nfs/dbraw/zinc/56/19/94/689561994.db2.gz JMOUWALGKVSFFV-QGZVFWFLSA-N 0 3 301.434 2.475 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033708041 689590095 /nfs/dbraw/zinc/59/00/95/689590095.db2.gz SRHLBWWBRKHNDP-LBPRGKRZSA-N 0 3 309.435 2.012 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(OC(C)C)cn2)C1 ZINC001033719329 689594245 /nfs/dbraw/zinc/59/42/45/689594245.db2.gz NFJKZIWOPSHAAA-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001033832766 689631373 /nfs/dbraw/zinc/63/13/73/689631373.db2.gz LDTVHZZTBHQLJI-QGZVFWFLSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033848294 689636863 /nfs/dbraw/zinc/63/68/63/689636863.db2.gz CRVQTZYXFSRRNE-CVEARBPZSA-N 0 3 316.449 2.414 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001033848028 689636998 /nfs/dbraw/zinc/63/69/98/689636998.db2.gz IAHLDDMTRKJXQP-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN([C@H](C)COC)C1 ZINC001033858902 689641413 /nfs/dbraw/zinc/64/14/13/689641413.db2.gz NAGBUTAWNVYYFJ-CVEARBPZSA-N 0 3 319.449 2.245 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001033858327 689641816 /nfs/dbraw/zinc/64/18/16/689641816.db2.gz TXRCYVJIHZWJRS-OAHLLOKOSA-N 0 3 317.433 2.200 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnc3ccc(C)cn32)C1 ZINC001033899012 689655010 /nfs/dbraw/zinc/65/50/10/689655010.db2.gz ZTTXKAKLCJZCLX-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cn(CC)nc2C)C1 ZINC001033972992 689679434 /nfs/dbraw/zinc/67/94/34/689679434.db2.gz UZYQZSIZFUZJKZ-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ncoc2C2CC2)C1 ZINC001034009421 689691745 /nfs/dbraw/zinc/69/17/45/689691745.db2.gz MVUQJIQXBAVKKY-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001034051041 689705922 /nfs/dbraw/zinc/70/59/22/689705922.db2.gz LEFBTEPGAHSICI-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2COc3ccccc32)C1 ZINC001034057250 689709041 /nfs/dbraw/zinc/70/90/41/689709041.db2.gz STMNPAXJLFHSLN-RDJZCZTQSA-N 0 3 312.413 2.109 20 30 DEEDHN CC(C)=CCN1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034166403 689752243 /nfs/dbraw/zinc/75/22/43/689752243.db2.gz WMANCBNUFSIVJU-HNNXBMFYSA-N 0 3 300.406 2.437 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001034206123 689762387 /nfs/dbraw/zinc/76/23/87/689762387.db2.gz GOSFLXZWZLSMOG-OAHLLOKOSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001034208630 689763217 /nfs/dbraw/zinc/76/32/17/689763217.db2.gz YPEFTMMXISOMQH-INIZCTEOSA-N 0 3 311.429 2.107 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnn2CCC)C1 ZINC001034229489 689773277 /nfs/dbraw/zinc/77/32/77/689773277.db2.gz IZBIKQDISQJUQZ-HNNXBMFYSA-N 0 3 304.438 2.454 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001034249643 689781256 /nfs/dbraw/zinc/78/12/56/689781256.db2.gz MGGKVGPTDJGDBR-CVEARBPZSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001034269108 689788066 /nfs/dbraw/zinc/78/80/66/689788066.db2.gz UBZRVQOBNKSFCQ-INIZCTEOSA-N 0 3 310.401 2.122 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001034283443 689793639 /nfs/dbraw/zinc/79/36/39/689793639.db2.gz SSGRSUOHSDCRMZ-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001034300861 689801885 /nfs/dbraw/zinc/80/18/85/689801885.db2.gz KRGCVRPPTQWMEQ-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001034319215 689808329 /nfs/dbraw/zinc/80/83/29/689808329.db2.gz NWVSCTHXTWPNRS-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001034318808 689808435 /nfs/dbraw/zinc/80/84/35/689808435.db2.gz BWNSJAUBEFREKJ-INIZCTEOSA-N 0 3 304.438 2.163 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001034333715 689812162 /nfs/dbraw/zinc/81/21/62/689812162.db2.gz UHRAYEHAVRBJIS-KRWDZBQOSA-N 0 3 314.429 2.321 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(OC)ccn2)C1 ZINC001034345488 689816572 /nfs/dbraw/zinc/81/65/72/689816572.db2.gz RNVNIJMRIBGWBA-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC001034408790 689839336 /nfs/dbraw/zinc/83/93/36/689839336.db2.gz LMRXWJDSOBSSTE-KRWDZBQOSA-N 0 3 301.434 2.343 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@H]2CCCCN(CC(=C)C)C2)nn1 ZINC001034433173 689848671 /nfs/dbraw/zinc/84/86/71/689848671.db2.gz NPFIWZXUZQRVFZ-HNNXBMFYSA-N 0 3 317.437 2.015 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC001034433261 689848709 /nfs/dbraw/zinc/84/87/09/689848709.db2.gz VOSUXEGBGXGLOL-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc(C)nc2C)C1 ZINC001034443297 689852268 /nfs/dbraw/zinc/85/22/68/689852268.db2.gz FLYITEYVDSXXEF-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000876551891 689853702 /nfs/dbraw/zinc/85/37/02/689853702.db2.gz ARHPOJJNWLDXLZ-CYBMUJFWSA-N 0 3 324.808 2.058 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001034461345 689857705 /nfs/dbraw/zinc/85/77/05/689857705.db2.gz OCRPVJRNMILIRO-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001034463533 689858981 /nfs/dbraw/zinc/85/89/81/689858981.db2.gz UGZOXCJHMLXFST-MRXNPFEDSA-N 0 3 316.449 2.209 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000876583427 689865749 /nfs/dbraw/zinc/86/57/49/689865749.db2.gz LJKXBECTLQWJES-NSHDSACASA-N 0 3 311.769 2.062 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000876601036 689872334 /nfs/dbraw/zinc/87/23/34/689872334.db2.gz XLPBGMHUWUYKQO-CYBMUJFWSA-N 0 3 323.780 2.047 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)COc1cccc(F)c1 ZINC000876610809 689875730 /nfs/dbraw/zinc/87/57/30/689875730.db2.gz JFSPVABHQXJVRZ-MFKMUULPSA-N 0 3 300.761 2.179 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001034506278 689877692 /nfs/dbraw/zinc/87/76/92/689877692.db2.gz ANXIWOOCROHXCK-KRWDZBQOSA-N 0 3 313.445 2.449 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001034506279 689877779 /nfs/dbraw/zinc/87/77/79/689877779.db2.gz ANXIWOOCROHXCK-QGZVFWFLSA-N 0 3 313.445 2.449 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000876641980 689885732 /nfs/dbraw/zinc/88/57/32/689885732.db2.gz WGVZVLYPKCAVPM-SNPRPXQTSA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(Cl)cc1OC ZINC000876653417 689889920 /nfs/dbraw/zinc/88/99/20/689889920.db2.gz PYBFQOKSLNPYNY-LLVKDONJSA-N 0 3 303.189 2.435 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034535628 689889982 /nfs/dbraw/zinc/88/99/82/689889982.db2.gz SSCOERANSSBNIX-ZBFHGGJFSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000876671755 689895915 /nfs/dbraw/zinc/89/59/15/689895915.db2.gz PPCZWZVUQDABDS-ZCFIWIBFSA-N 0 3 313.732 2.248 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2csc(COC)n2)C1 ZINC001034551371 689896414 /nfs/dbraw/zinc/89/64/14/689896414.db2.gz GFOXCTXKGURBCH-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C(=O)OC)CCC(CC)CC1 ZINC000876687636 689903137 /nfs/dbraw/zinc/90/31/37/689903137.db2.gz BUENIZURGBGFQB-AVERBVTBSA-N 0 3 316.829 2.085 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000876708862 689910824 /nfs/dbraw/zinc/91/08/24/689910824.db2.gz CHSHCSJYCDZQSZ-INIZCTEOSA-N 0 3 321.852 2.109 20 30 DEEDHN C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001034651594 689919317 /nfs/dbraw/zinc/91/93/17/689919317.db2.gz IXXAMICOJJJQFO-JOCQHMNTSA-N 0 3 313.405 2.165 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000876754425 689927474 /nfs/dbraw/zinc/92/74/74/689927474.db2.gz OILPDXUINZCRRL-HNNXBMFYSA-N 0 3 318.808 2.408 20 30 DEEDHN CC(C)[C@@H]1CN(C[C@H](O)CC#N)CCN1Cc1ccccc1 ZINC000931172633 694332106 /nfs/dbraw/zinc/33/21/06/694332106.db2.gz YEOMTLJGVVPETI-MSOLQXFVSA-N 0 3 301.434 2.103 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000876899032 689968115 /nfs/dbraw/zinc/96/81/15/689968115.db2.gz SBAYUUWKUBRCEK-ZIAGYGMSSA-N 0 3 321.808 2.070 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000876920438 689972898 /nfs/dbraw/zinc/97/28/98/689972898.db2.gz RLWGUXJXCZBIKV-GGZOMVNGSA-N 0 3 300.736 2.407 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000876941651 689978219 /nfs/dbraw/zinc/97/82/19/689978219.db2.gz JFXBTERQCMNBAH-CHWSQXEVSA-N 0 3 316.829 2.038 20 30 DEEDHN Cc1nn(C(C)C)cc1CNC[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC001034887085 689978691 /nfs/dbraw/zinc/97/86/91/689978691.db2.gz REEOIVVCVORIAX-CZUORRHYSA-N 0 3 317.437 2.013 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(OC2CC2)c1F ZINC000876964011 689984174 /nfs/dbraw/zinc/98/41/74/689984174.db2.gz OYFOIKMIMDLZJK-LBPRGKRZSA-N 0 3 312.772 2.453 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cnccc1C(F)(F)F ZINC000876980629 689989402 /nfs/dbraw/zinc/98/94/02/689989402.db2.gz LBFGMTOGNZPIKY-SNVBAGLBSA-N 0 3 307.703 2.187 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1noc2c1CC(C)(C)CC2 ZINC000877346633 690084361 /nfs/dbraw/zinc/08/43/61/690084361.db2.gz FOXIXACTYRVPKX-LLVKDONJSA-N 0 3 311.813 2.276 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(C)noc1C)CC2 ZINC001035649597 690142621 /nfs/dbraw/zinc/14/26/21/690142621.db2.gz LEULJXRBPBSVSE-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC001035651096 690142772 /nfs/dbraw/zinc/14/27/72/690142772.db2.gz XKLMHTJSFGUAHB-UHFFFAOYSA-N 0 3 306.793 2.494 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C)sn1)CC2 ZINC001035694337 690154826 /nfs/dbraw/zinc/15/48/26/690154826.db2.gz WKOYYYVDQSAPFP-UHFFFAOYSA-N 0 3 303.431 2.013 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](F)C1)CC2 ZINC001035708557 690157510 /nfs/dbraw/zinc/15/75/10/690157510.db2.gz XKBWQMBSVJGIAQ-HOTGVXAUSA-N 0 3 306.425 2.462 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(CCC)n[nH]1)CC2 ZINC001035760661 690169983 /nfs/dbraw/zinc/16/99/83/690169983.db2.gz LPTOUTOZWZPTNN-UHFFFAOYSA-N 0 3 316.449 2.476 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCOC[C@@H]1C)CC2 ZINC001035789472 690176709 /nfs/dbraw/zinc/17/67/09/690176709.db2.gz OZVJSRXVGHUMRF-HOTGVXAUSA-N 0 3 306.450 2.160 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc3cccnn31)CC2 ZINC001035815113 690183781 /nfs/dbraw/zinc/18/37/81/690183781.db2.gz XMQVJVDZGYTPLZ-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@@H](C)C1)CC2 ZINC001035823563 690185770 /nfs/dbraw/zinc/18/57/70/690185770.db2.gz JXOBGONTUTTXAD-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN Cc1cnc(CN[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C)s1 ZINC001036039739 690242297 /nfs/dbraw/zinc/24/22/97/690242297.db2.gz XJLJHPCUPNQUHD-IUODEOHRSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CC[C@H](C)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000878206181 690346602 /nfs/dbraw/zinc/34/66/02/690346602.db2.gz RXDBOCWYBJFZCE-AWEZNQCLSA-N 0 3 311.433 2.294 20 30 DEEDHN C#CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CSC1 ZINC000878909783 690525470 /nfs/dbraw/zinc/52/54/70/690525470.db2.gz JYKHUVZJSMSAHE-ZDUSSCGKSA-N 0 3 310.463 2.294 20 30 DEEDHN C[C@@H](C#N)OCCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000879113897 690570709 /nfs/dbraw/zinc/57/07/09/690570709.db2.gz DEVGINVVZUUMJW-IINYFYTJSA-N 0 3 300.761 2.421 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2nccn2C)[C@@H](CC)C1 ZINC001037906519 690637894 /nfs/dbraw/zinc/63/78/94/690637894.db2.gz RQGYVHVAMWCUEB-LSDHHAIUSA-N 0 3 318.465 2.349 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000879590346 690682527 /nfs/dbraw/zinc/68/25/27/690682527.db2.gz ZLWPLMCGVVVKRM-INIZCTEOSA-N 0 3 303.381 2.388 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)c[nH]1 ZINC001038175131 690730583 /nfs/dbraw/zinc/73/05/83/690730583.db2.gz MAAKRSMFVAAQBJ-INIZCTEOSA-N 0 3 312.417 2.271 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038248983 690756980 /nfs/dbraw/zinc/75/69/80/690756980.db2.gz RDIWZMXNNDTVCD-OAHLLOKOSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001038249380 690757150 /nfs/dbraw/zinc/75/71/50/690757150.db2.gz FUNOFGOWTRBMPP-HOCLYGCPSA-N 0 3 318.392 2.143 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295924 690772590 /nfs/dbraw/zinc/77/25/90/690772590.db2.gz IVDQBGDEQWULIO-GFCCVEGCSA-N 0 3 312.364 2.357 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038304977 690774505 /nfs/dbraw/zinc/77/45/05/690774505.db2.gz DYLJGAASFBFSBQ-OAHLLOKOSA-N 0 3 304.438 2.309 20 30 DEEDHN Cc1cc(NC(=O)N[C@H]2CCN(C)[C@H]2C)c(C#N)cc1N(C)C ZINC000931443780 694397151 /nfs/dbraw/zinc/39/71/51/694397151.db2.gz 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/nfs/dbraw/zinc/88/98/17/690889817.db2.gz TYYKLDRLHRPJHW-DOTOQJQBSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001038783510 690925337 /nfs/dbraw/zinc/92/53/37/690925337.db2.gz BVOLEFFSUYIJAH-JKSUJKDBSA-N 0 3 314.429 2.492 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)cn1 ZINC001038930549 690969235 /nfs/dbraw/zinc/96/92/35/690969235.db2.gz DDCYEJRRZKNZCL-KRWDZBQOSA-N 0 3 311.429 2.303 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039052399 691004288 /nfs/dbraw/zinc/00/42/88/691004288.db2.gz LAALOYQXCDITML-OAHLLOKOSA-N 0 3 321.852 2.305 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000881182841 691044467 /nfs/dbraw/zinc/04/44/67/691044467.db2.gz VVGGVIPOKLHVLZ-NEPJUHHUSA-N 0 3 319.434 2.135 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cscn2)C1 ZINC001039192622 691046478 /nfs/dbraw/zinc/04/64/78/691046478.db2.gz GEQSOVPXTOFGQA-GOEBONIOSA-N 0 3 317.458 2.483 20 30 DEEDHN 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C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC001053063513 693680424 /nfs/dbraw/zinc/68/04/24/693680424.db2.gz NWDXNTPCIRAKPX-ROUUACIJSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2c[nH]c(C)n2)C1 ZINC001053077846 693685054 /nfs/dbraw/zinc/68/50/54/693685054.db2.gz MPVQOHDAXDCNEW-DOTOQJQBSA-N 0 3 314.433 2.058 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H](CNC(=O)CC2CC2)C2CC2)c1 ZINC001402246421 1162305316 /nfs/dbraw/zinc/30/53/16/1162305316.db2.gz OMVVJEBUVNSCNT-QGZVFWFLSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](NCc2cncs2)C[C@H]1C ZINC001331969118 1149802126 /nfs/dbraw/zinc/80/21/26/1149802126.db2.gz KDVQTWFDSSSLPP-ZIAGYGMSSA-N 0 3 323.462 2.205 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@H]1COc2ccccc21)C(C)C ZINC001332741068 1149887345 /nfs/dbraw/zinc/88/73/45/1149887345.db2.gz SMUPKRPVBIXUOH-KRWDZBQOSA-N 0 3 314.429 2.355 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N(C)C1CC(NCc2cncs2)C1 ZINC001333043853 1149970316 /nfs/dbraw/zinc/97/03/16/1149970316.db2.gz 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/nfs/dbraw/zinc/37/47/71/1152374771.db2.gz FOEBVKLJTUICDM-LBPRGKRZSA-N 0 3 321.371 2.445 20 30 DEEDHN CO[C@H](C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1)C(C)C ZINC001379740338 1152685980 /nfs/dbraw/zinc/68/59/80/1152685980.db2.gz JGNGBINSONUHLF-PBHICJAKSA-N 0 3 317.433 2.166 20 30 DEEDHN CN(CCCN(C)C(=O)C(F)F)Cc1ccc(F)c(C#N)c1 ZINC001380947932 1152883562 /nfs/dbraw/zinc/88/35/62/1152883562.db2.gz KJKVYPJGNXZJON-UHFFFAOYSA-N 0 3 313.323 2.243 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)c2cccs2)CC1 ZINC001381132344 1152920713 /nfs/dbraw/zinc/92/07/13/1152920713.db2.gz HHGQJSKQJXWYHM-UHFFFAOYSA-N 0 3 314.838 2.057 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C1=COCCC1 ZINC001381181846 1152939530 /nfs/dbraw/zinc/93/95/30/1152939530.db2.gz PCUNIGCNDQJOLZ-NSHDSACASA-N 0 3 317.227 2.074 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001381302948 1152998232 /nfs/dbraw/zinc/99/82/32/1152998232.db2.gz SALCUBRJMKFGOT-HUUCEWRRSA-N 0 3 315.889 2.248 20 30 DEEDHN CCc1nc(C)c(CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001381473743 1153079155 /nfs/dbraw/zinc/07/91/55/1153079155.db2.gz UFYGDMZYCMKWAG-LBPRGKRZSA-N 0 3 320.437 2.279 20 30 DEEDHN CC(C)[C@H](CCN(C)C(=O)[C@@H](C)C#N)NCc1cscn1 ZINC001381723927 1153196622 /nfs/dbraw/zinc/19/66/22/1153196622.db2.gz YAXPYEMPPLRVKF-JSGCOSHPSA-N 0 3 308.451 2.265 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cccnc1 ZINC001402958617 1162574288 /nfs/dbraw/zinc/57/42/88/1162574288.db2.gz RYRCELMXIMXJFM-NEPJUHHUSA-N 0 3 314.414 2.311 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCOC[C@@H]1C ZINC001403076615 1162691700 /nfs/dbraw/zinc/69/17/00/1162691700.db2.gz DNGIZZXIBIJICX-JSGCOSHPSA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC001390041336 1155507787 /nfs/dbraw/zinc/50/77/87/1155507787.db2.gz VRHXTJXTWOSERD-FQUUOJAGSA-N 0 3 300.830 2.323 20 30 DEEDHN Cc1conc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001390714696 1155847115 /nfs/dbraw/zinc/84/71/15/1155847115.db2.gz MQNBGTAVTKYHEW-CYBMUJFWSA-N 0 3 312.373 2.153 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)Cc3ccoc3)C2)cc1 ZINC001372613337 1156606532 /nfs/dbraw/zinc/60/65/32/1156606532.db2.gz OTQAIWJGXABBQH-GOSISDBHSA-N 0 3 323.396 2.332 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(CCc1ccc(F)c(F)c1)C1CC1 ZINC001372779216 1156774554 /nfs/dbraw/zinc/77/45/54/1156774554.db2.gz ZMZSHCNTULYYJB-LBPRGKRZSA-N 0 3 321.371 2.248 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cn2nc(C)cc2C)CCCC1 ZINC001391766599 1156790884 /nfs/dbraw/zinc/79/08/84/1156790884.db2.gz SYLIZSGAMYXHBU-UHFFFAOYSA-N 0 3 324.856 2.271 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001391786175 1156802704 /nfs/dbraw/zinc/80/27/04/1156802704.db2.gz HYWKYNJXQUYXHY-OAHLLOKOSA-N 0 3 306.797 2.127 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001391885691 1156824566 /nfs/dbraw/zinc/82/45/66/1156824566.db2.gz NLJKPVLXPPDPDX-CYBMUJFWSA-N 0 3 310.401 2.351 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC001392295917 1156997667 /nfs/dbraw/zinc/99/76/67/1156997667.db2.gz YJDUKHMKPNNPHG-ABAIWWIYSA-N 0 3 324.856 2.218 20 30 DEEDHN CCCC[C@@H](CNCc1cnc(C)s1)NC(=O)[C@@H](C)C#N ZINC001403283118 1162837211 /nfs/dbraw/zinc/83/72/11/1162837211.db2.gz ULFATYVPLSPUDU-AAEUAGOBSA-N 0 3 308.451 2.376 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2cccc(C#N)c2)on1 ZINC001392630432 1157244562 /nfs/dbraw/zinc/24/45/62/1157244562.db2.gz ZTBAZWIVHXEIPU-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN CC[C@H](F)C(=O)N[C@@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001392680238 1157327610 /nfs/dbraw/zinc/32/76/10/1157327610.db2.gz YCTSDKACQWIESU-BBRMVZONSA-N 0 3 321.396 2.274 20 30 DEEDHN C[C@](CNCc1cc(C#N)ccc1F)(NC(=O)C1CC1)C1CC1 ZINC001373865290 1157419835 /nfs/dbraw/zinc/41/98/35/1157419835.db2.gz NQFYCWIWGZMFRF-GOSISDBHSA-N 0 3 315.392 2.482 20 30 DEEDHN CC(C)(F)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001392879795 1157505511 /nfs/dbraw/zinc/50/55/11/1157505511.db2.gz UPAHAUNGOMQKTJ-UHFFFAOYSA-N 0 3 307.344 2.184 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001374195020 1157713148 /nfs/dbraw/zinc/71/31/48/1157713148.db2.gz JFYZLYISEUIRCS-RYUDHWBXSA-N 0 3 323.437 2.385 20 30 DEEDHN CS[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001374195024 1157713474 /nfs/dbraw/zinc/71/34/74/1157713474.db2.gz JFYZLYISEUIRCS-VXGBXAGGSA-N 0 3 323.437 2.385 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@](C)(CNC/C(Cl)=C\Cl)C1 ZINC001393150501 1157723190 /nfs/dbraw/zinc/72/31/90/1157723190.db2.gz ULTGFIOYSYXCCD-AUZVMKJRSA-N 0 3 304.221 2.293 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCCN(C(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001393454547 1157833014 /nfs/dbraw/zinc/83/30/14/1157833014.db2.gz BADGQCRDYCHMDU-LSDHHAIUSA-N 0 3 313.873 2.002 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CN(C)CCOc1ccccc1Cl ZINC001375020419 1158210817 /nfs/dbraw/zinc/21/08/17/1158210817.db2.gz NVJWGISKNGHXNB-OLZOCXBDSA-N 0 3 323.824 2.315 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCCCO1 ZINC001375026338 1158216397 /nfs/dbraw/zinc/21/63/97/1158216397.db2.gz WLVXVLABNJWSHW-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN COc1cccc(CN2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)c1 ZINC001376019050 1159053451 /nfs/dbraw/zinc/05/34/51/1159053451.db2.gz XCPYAKFBTXRXLP-AWEZNQCLSA-N 0 3 315.417 2.278 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001376020503 1159054973 /nfs/dbraw/zinc/05/49/73/1159054973.db2.gz YLIFIFFSKABCDB-CQSZACIVSA-N 0 3 301.862 2.002 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001376024840 1159056900 /nfs/dbraw/zinc/05/69/00/1159056900.db2.gz HLSCFSHXJJYWTH-UHFFFAOYSA-N 0 3 301.862 2.002 20 30 DEEDHN C[C@@H](CN(C)C(=O)CCCF)NCc1ccc(C#N)c(F)c1 ZINC001403575267 1163013952 /nfs/dbraw/zinc/01/39/52/1163013952.db2.gz HNCNENNAODNJEY-LBPRGKRZSA-N 0 3 309.360 2.384 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2csc(C)n2)C1 ZINC001376488155 1159472689 /nfs/dbraw/zinc/47/26/89/1159472689.db2.gz OABVOMRUGXBJIQ-BETUJISGSA-N 0 3 313.854 2.373 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)Cn2ccnc2C)C1 ZINC001376630567 1159616308 /nfs/dbraw/zinc/61/63/08/1159616308.db2.gz YEXFXLAENXPREG-DZGCQCFKSA-N 0 3 324.856 2.161 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H](F)C(C)C)C1 ZINC001397627094 1160369874 /nfs/dbraw/zinc/36/98/74/1160369874.db2.gz NUERAPGSGAITGP-TUAOUCFPSA-N 0 3 321.234 2.374 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](CC)OCC)C1 ZINC001397678244 1160395777 /nfs/dbraw/zinc/39/57/77/1160395777.db2.gz RRKUHPGWHDGACU-BFHYXJOUSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001377616175 1160595894 /nfs/dbraw/zinc/59/58/94/1160595894.db2.gz OKEREKKNEAOFTQ-HNNXBMFYSA-N 0 3 324.856 2.387 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)Cn2cncc2C)C1 ZINC001398457264 1160897191 /nfs/dbraw/zinc/89/71/91/1160897191.db2.gz KRBIFEUSBDPGRL-HNNXBMFYSA-N 0 3 324.856 2.114 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC001398611502 1161016029 /nfs/dbraw/zinc/01/60/29/1161016029.db2.gz MPARKQDZBAXZLH-WQAKAFBOSA-N 0 3 309.772 2.376 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378115300 1161030314 /nfs/dbraw/zinc/03/03/14/1161030314.db2.gz NKTXMOOQHDRPLV-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN(C)c2ccccc2)C1 ZINC001398660179 1161038968 /nfs/dbraw/zinc/03/89/68/1161038968.db2.gz BAPXKAAFGCDANJ-OKILXGFUSA-N 0 3 307.825 2.112 20 30 DEEDHN CC[C@H](SC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001398931711 1161156505 /nfs/dbraw/zinc/15/65/05/1161156505.db2.gz SUGLXRWULUKYNC-NHYWBVRUSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn(C2CCC2)c1 ZINC001399314160 1161340083 /nfs/dbraw/zinc/34/00/83/1161340083.db2.gz LDYRYAVVYHDULD-GFCCVEGCSA-N 0 3 310.829 2.459 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC001399314690 1161341127 /nfs/dbraw/zinc/34/11/27/1161341127.db2.gz HQPPFMUANWDGFW-ZIAGYGMSSA-N 0 3 317.437 2.142 20 30 DEEDHN CCN(CCNC(=O)CCn1cccc1)Cc1ccc(C#N)cc1 ZINC001399781841 1161562099 /nfs/dbraw/zinc/56/20/99/1161562099.db2.gz DDHJPHBBEOPRPQ-UHFFFAOYSA-N 0 3 324.428 2.388 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@H]2CCCO2)CCCC1 ZINC001400910163 1161845063 /nfs/dbraw/zinc/84/50/63/1161845063.db2.gz FLJQNWMDOJZLPM-CYBMUJFWSA-N 0 3 300.830 2.327 20 30 DEEDHN Cc1ncc(CN2CCC(CCNC(=O)[C@H](C)C#N)CC2)s1 ZINC001401072092 1161867266 /nfs/dbraw/zinc/86/72/66/1161867266.db2.gz JCGOZLOKPWAGTE-GFCCVEGCSA-N 0 3 320.462 2.330 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)[C@@H]1CC12CC2 ZINC001401240072 1161901949 /nfs/dbraw/zinc/90/19/49/1161901949.db2.gz FZTBBKDWMQQUNZ-DOMZBBRYSA-N 0 3 315.392 2.434 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001401738417 1162101249 /nfs/dbraw/zinc/10/12/49/1162101249.db2.gz VJEHIXZQZYAQFF-UONOGXRCSA-N 0 3 319.474 2.494 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001402120076 1162252723 /nfs/dbraw/zinc/25/27/23/1162252723.db2.gz BNBCEPUHYDGODA-GUYCJALGSA-N 0 3 303.381 2.396 20 30 DEEDHN CCCC(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CC1 ZINC001406891395 1164871335 /nfs/dbraw/zinc/87/13/35/1164871335.db2.gz GESRGLTZXVEULN-UHFFFAOYSA-N 0 3 301.390 2.105 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C(C)(C)F)C1 ZINC001417781912 1167209292 /nfs/dbraw/zinc/20/92/92/1167209292.db2.gz FULYQZPLUQCROH-MGCOHNPYSA-N 0 3 307.207 2.128 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(CCOC)CC2)C1 ZINC001417806829 1167226684 /nfs/dbraw/zinc/22/66/84/1167226684.db2.gz SITJGLMNNLGHAG-UONOGXRCSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001417811031 1167229142 /nfs/dbraw/zinc/22/91/42/1167229142.db2.gz XMUUSFVVLPYBGI-GXTWGEPZSA-N 0 3 324.856 2.142 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001417898853 1167291794 /nfs/dbraw/zinc/29/17/94/1167291794.db2.gz KUCYCQCMFMHBKG-CMPLNLGQSA-N 0 3 314.792 2.274 20 30 DEEDHN Cc1ncsc1CN1CCC2(C[C@H]2NC(=O)[C@H](C)C#N)CC1 ZINC001417957168 1167326815 /nfs/dbraw/zinc/32/68/15/1167326815.db2.gz 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C=C(Cl)CN(CC)CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001424660963 1173858229 /nfs/dbraw/zinc/85/82/29/1173858229.db2.gz MGSMIGJKEGXAFF-UHFFFAOYSA-N 0 3 324.856 2.265 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001424698812 1173875240 /nfs/dbraw/zinc/87/52/40/1173875240.db2.gz HMACRPPJQRMDSS-ZFWWWQNUSA-N 0 3 313.873 2.004 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CCCCO1)N(C)Cc1cccc(C#N)c1 ZINC001424931242 1174038986 /nfs/dbraw/zinc/03/89/86/1174038986.db2.gz NWNPNQSHQVLLDP-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN CN1C[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C(C)(C)C1 ZINC001434381074 1178425293 /nfs/dbraw/zinc/42/52/93/1178425293.db2.gz NXUVZNBMRORSTE-OAHLLOKOSA-N 0 3 317.408 2.431 20 30 DEEDHN C[C@@H](CNC(=O)C1(CF)CCC1)NCc1ccc(C#N)c(F)c1 ZINC001437203425 1179572440 /nfs/dbraw/zinc/57/24/40/1179572440.db2.gz KWHNUONIUPQBNJ-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)Cc1ccco1 ZINC001437404530 1179789075 /nfs/dbraw/zinc/78/90/75/1179789075.db2.gz RGIIEENQGFYNDE-LLVKDONJSA-N 0 3 315.211 2.215 20 30 DEEDHN Cc1ccc(C)c(CN(C)CCNC(=O)c2cc(C#N)c[nH]2)c1 ZINC001437450218 1179807680 /nfs/dbraw/zinc/80/76/80/1179807680.db2.gz WFCFHPGYZOMXKF-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN CCCN(CCNC(=O)c1cnco1)Cc1ccc(C#N)cc1 ZINC001437759780 1179954067 /nfs/dbraw/zinc/95/40/67/1179954067.db2.gz TVQMIRSRYLXYIL-UHFFFAOYSA-N 0 3 312.373 2.188 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCc1ncccn1)C1CC1 ZINC001438423946 1180409870 /nfs/dbraw/zinc/40/98/70/1180409870.db2.gz BRRKGAOTXIMWPD-MRXNPFEDSA-N 0 3 322.840 2.036 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439361728 1181044428 /nfs/dbraw/zinc/04/44/28/1181044428.db2.gz LAHNHZQUCKDBHU-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1noc(C)c1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001439584270 1181157285 /nfs/dbraw/zinc/15/72/85/1181157285.db2.gz AOUKMECTBGOYCO-UHFFFAOYSA-N 0 3 324.384 2.215 20 30 DEEDHN CC[C@H](F)C(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CC1 ZINC001439635544 1181178454 /nfs/dbraw/zinc/17/84/54/1181178454.db2.gz JXCRQAPEQIFZTD-AWEZNQCLSA-N 0 3 319.380 2.053 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)CCn3cccc3)CC2)c1 ZINC001439657457 1181188726 /nfs/dbraw/zinc/18/87/26/1181188726.db2.gz NOBCOMVSLSWGTC-UHFFFAOYSA-N 0 3 322.412 2.188 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001439933435 1181311838 /nfs/dbraw/zinc/31/18/38/1181311838.db2.gz KXWCNCODFYFTET-DNVCBOLYSA-N 0 3 324.428 2.436 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](OC)[C@@H](C)CC)C1 ZINC001440340285 1181455567 /nfs/dbraw/zinc/45/55/67/1181455567.db2.gz IAOUUZNYIBUPAQ-PYJNHQTQSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001440707226 1181646768 /nfs/dbraw/zinc/64/67/68/1181646768.db2.gz REBSRELURYOAGJ-UHFFFAOYSA-N 0 3 310.829 2.336 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001440759795 1181677954 /nfs/dbraw/zinc/67/79/54/1181677954.db2.gz LEZKXVDKRLRANY-FNBIGBAISA-N 0 3 324.856 2.367 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)C1CCOCC1 ZINC001440783689 1181690351 /nfs/dbraw/zinc/69/03/51/1181690351.db2.gz ZWNLNNHIMKBMSF-RYUDHWBXSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001441140586 1181865928 /nfs/dbraw/zinc/86/59/28/1181865928.db2.gz PJGKOZPSTQOZKX-XJKSGUPXSA-N 0 3 315.392 2.456 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(CCC)c2)C1 ZINC001441374873 1181962463 /nfs/dbraw/zinc/96/24/63/1181962463.db2.gz XQNBTNSDXCYKDQ-MQMHXKEQSA-N 0 3 310.829 2.144 20 30 DEEDHN CC(C)SCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441771916 1182153297 /nfs/dbraw/zinc/15/32/97/1182153297.db2.gz WSNCGVKUADYULD-LBPRGKRZSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@@H](CNC(=O)C1=CCCC1)NCc1ccc(C#N)c(F)c1 ZINC001441796792 1182166854 /nfs/dbraw/zinc/16/68/54/1182166854.db2.gz RKAHXAPSPQGLJN-LBPRGKRZSA-N 0 3 301.365 2.402 20 30 DEEDHN CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001443672683 1183078326 /nfs/dbraw/zinc/07/83/26/1183078326.db2.gz 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1164061299 /nfs/dbraw/zinc/06/12/99/1164061299.db2.gz OYRUWJSVHDMWLB-UHFFFAOYSA-N 0 3 310.829 2.044 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NCc2ccnn2C)C[C@H]1C ZINC001331991711 1149804339 /nfs/dbraw/zinc/80/43/39/1149804339.db2.gz OJVZXXGVZZSRKF-ZBFHGGJFSA-N 0 3 316.449 2.268 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)COCc2ccc(C)cc2)C1 ZINC001331992362 1149804688 /nfs/dbraw/zinc/80/46/88/1149804688.db2.gz AUWACAAXRJYDOQ-FUHWJXTLSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCCCC(=O)NC1CC2(CC(NCc3nccs3)C2)C1 ZINC001121007157 782216472 /nfs/dbraw/zinc/21/64/72/782216472.db2.gz FPJUFEGKORWNLH-UHFFFAOYSA-N 0 3 317.458 2.464 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106101415 782234146 /nfs/dbraw/zinc/23/41/46/782234146.db2.gz XQLCRQKXYIBERW-IKUZCIDDSA-N 0 3 315.244 2.403 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCOC2CCOCC2)[C@@H]1C ZINC001332207233 1149834995 /nfs/dbraw/zinc/83/49/95/1149834995.db2.gz RMSZGTDXIFCLMU-RDJZCZTQSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ncccc3OCCC)C2)C1 ZINC001072941186 790313393 /nfs/dbraw/zinc/31/33/93/790313393.db2.gz DXEHAOKLSPKNQZ-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN C#CCOCCN(C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC001333158422 1150009470 /nfs/dbraw/zinc/00/94/70/1150009470.db2.gz SVSADBWVJLXJOL-UHFFFAOYSA-N 0 3 312.369 2.103 20 30 DEEDHN Cc1csc(C[C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)n1 ZINC001333281454 1150025357 /nfs/dbraw/zinc/02/53/57/1150025357.db2.gz ZZQYAWYDJSWTES-UONOGXRCSA-N 0 3 320.462 2.254 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C(F)(F)F ZINC001099301473 783019620 /nfs/dbraw/zinc/01/96/20/783019620.db2.gz VRENMRRZHMSPKQ-CHWSQXEVSA-N 0 3 315.339 2.112 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cn2)CC(C)(C)C1 ZINC001089364481 783032281 /nfs/dbraw/zinc/03/22/81/783032281.db2.gz BIQQCPPLUJAADT-CQSZACIVSA-N 0 3 303.381 2.074 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC2(F)F)[C@H](OC)C1 ZINC001212218713 783041504 /nfs/dbraw/zinc/04/15/04/783041504.db2.gz GHXYQGRTXYGTBO-BFHYXJOUSA-N 0 3 316.392 2.203 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(C)n2)CC(C)(C)C1 ZINC001089373196 783056142 /nfs/dbraw/zinc/05/61/42/783056142.db2.gz VLERRISUXJOWJI-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1onc3c1CCCC3)C2 ZINC001095760249 783078984 /nfs/dbraw/zinc/07/89/84/783078984.db2.gz RUXHFVJJWLQUBG-KCXAZCMYSA-N 0 3 315.417 2.465 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccsn2)CC(C)(C)C1 ZINC001089417892 783084728 /nfs/dbraw/zinc/08/47/28/783084728.db2.gz DNGJLBRUIPSGFN-ZDUSSCGKSA-N 0 3 305.447 2.387 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C[C@@H]1C ZINC000947365487 783117805 /nfs/dbraw/zinc/11/78/05/783117805.db2.gz OANDZACORGZMBG-JKSUJKDBSA-N 0 3 316.449 2.145 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2conc2C(C)C)C[C@@H]1C ZINC000947385973 783123452 /nfs/dbraw/zinc/12/34/52/783123452.db2.gz BQFYESYDWPZMAR-UONOGXRCSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cncn2-c2ccccc2)C[C@H]1C ZINC000947392240 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C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(C(C)(C)C)c3)[C@@H]2C1 ZINC001075978282 780950761 /nfs/dbraw/zinc/95/07/61/780950761.db2.gz FOQDBSNBKMHAHX-GOEBONIOSA-N 0 3 316.449 2.361 20 30 DEEDHN O=C(C#CC1CC1)NCCNCc1ccccc1C(F)(F)F ZINC001126881406 781022953 /nfs/dbraw/zinc/02/29/53/781022953.db2.gz RWQGFUIJXTWRJX-UHFFFAOYSA-N 0 3 310.319 2.325 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](O)C1 ZINC001083530794 781069674 /nfs/dbraw/zinc/06/96/74/781069674.db2.gz HVQIRDYKCNYZIY-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc4c3O[C@H](C)C4)[C@@H]2C1 ZINC001076056522 781101142 /nfs/dbraw/zinc/10/11/42/781101142.db2.gz YDPOCBUENHZTLF-UWWQBHOKSA-N 0 3 324.424 2.180 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3F)[C@@H]2C1 ZINC001076191628 781159984 /nfs/dbraw/zinc/15/99/84/781159984.db2.gz IWPYMZGEQCBNQH-SMDDNHRTSA-N 0 3 322.330 2.274 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4ccccc4n3C)[C@@H]2C1 ZINC001076189581 781162493 /nfs/dbraw/zinc/16/24/93/781162493.db2.gz POBJZIVDEJVWQW-QFBILLFUSA-N 0 3 321.424 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn(C(C)C)n3)[C@@H]2C1 ZINC001076312517 781213508 /nfs/dbraw/zinc/21/35/08/781213508.db2.gz SXCLZMPACUCUHC-GOEBONIOSA-N 0 3 302.422 2.186 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3ccc(F)cc3)[C@@H]2C1 ZINC001076556427 781311060 /nfs/dbraw/zinc/31/10/60/781311060.db2.gz JNODUZRWHZZUCI-WMLDXEAASA-N 0 3 318.392 2.313 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[C@H](F)C2)s1 ZINC001126959055 781463081 /nfs/dbraw/zinc/46/30/81/781463081.db2.gz FDBVZMMLLWSMNE-RYUDHWBXSA-N 0 3 309.410 2.354 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@H]2CCC[C@@H](F)C2)ccc1F ZINC001126961418 781500048 /nfs/dbraw/zinc/50/00/48/781500048.db2.gz WGJRPXNNCZSNHJ-DZGCQCFKSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001077151144 781503994 /nfs/dbraw/zinc/50/39/94/781503994.db2.gz GHGOKQBKYMGMMI-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cncc(COC)c2)C1 ZINC001091076053 790894749 /nfs/dbraw/zinc/89/47/49/790894749.db2.gz KIDWORPZOKKSQA-UHFFFAOYSA-N 0 3 323.824 2.079 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001073841273 790908095 /nfs/dbraw/zinc/90/80/95/790908095.db2.gz GNRVQAYUEJWRMB-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1ccnc1 ZINC001099363624 783240000 /nfs/dbraw/zinc/24/00/00/783240000.db2.gz AETAGCOEHRNWEL-MRXNPFEDSA-N 0 3 318.465 2.456 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)C[C@H]1C ZINC000947825833 783240442 /nfs/dbraw/zinc/24/04/42/783240442.db2.gz YKAWENORCLIXMM-PBHICJAKSA-N 0 3 307.397 2.451 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC001073867267 790925325 /nfs/dbraw/zinc/92/53/25/790925325.db2.gz RPMPLVSZNXOWPR-ZDUSSCGKSA-N 0 3 324.371 2.362 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C)nc2C2CC2)C[C@@H]1C ZINC000947988780 783285544 /nfs/dbraw/zinc/28/55/44/783285544.db2.gz DJFPOAIBULMKKI-SWLSCSKDSA-N 0 3 314.433 2.431 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630050 783296262 /nfs/dbraw/zinc/29/62/62/783296262.db2.gz ABVAJKAEVHTMAU-AWEZNQCLSA-N 0 3 300.406 2.293 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C[C@@H]1C ZINC000948078046 783312620 /nfs/dbraw/zinc/31/26/20/783312620.db2.gz HIXIFHCSGQKKDP-GOEBONIOSA-N 0 3 324.428 2.098 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)nsc2C)C[C@@H]1C ZINC000948079184 783313641 /nfs/dbraw/zinc/31/36/41/783313641.db2.gz UVQLPCIWUIIQBS-SMDDNHRTSA-N 0 3 305.447 2.366 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cncc(CC)c2)C1 ZINC001091146255 790931081 /nfs/dbraw/zinc/93/10/81/790931081.db2.gz PUEJTWHKNCUGHH-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089657200 783328262 /nfs/dbraw/zinc/32/82/62/783328262.db2.gz AXMBDGKGZUHUIY-CVEARBPZSA-N 0 3 307.482 2.264 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2nn(C)cc2Cl)CC1 ZINC000948405715 783455652 /nfs/dbraw/zinc/45/56/52/783455652.db2.gz XFAFREGFRFETJK-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001073896158 790945366 /nfs/dbraw/zinc/94/53/66/790945366.db2.gz MDYBRCVAZPMADP-HFCFLWKCSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2n[nH]c3ccc(C)cc32)CC1 ZINC000948583619 783512336 /nfs/dbraw/zinc/51/23/36/783512336.db2.gz WFXVKKWPEWCAJM-HNNXBMFYSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(OC)cc2F)CC1 ZINC000948583387 783512418 /nfs/dbraw/zinc/51/24/18/783512418.db2.gz QBGZAKOPGSEWAO-AWEZNQCLSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(COC)cs2)CC1 ZINC000948586322 783512639 /nfs/dbraw/zinc/51/26/39/783512639.db2.gz GLUCUBPIXAYULP-HNNXBMFYSA-N 0 3 320.458 2.454 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000948594235 783517948 /nfs/dbraw/zinc/51/79/48/783517948.db2.gz LODFRWMHMLZPRN-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000948613008 783529359 /nfs/dbraw/zinc/52/93/59/783529359.db2.gz UGWBXZMEQDYHKI-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cccc3nccn32)CC1 ZINC000948616375 783531040 /nfs/dbraw/zinc/53/10/40/783531040.db2.gz IJFHZNXRTRHVHI-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)noc2C2CC2)CC1 ZINC000948625398 783535844 /nfs/dbraw/zinc/53/58/44/783535844.db2.gz OPRWDSNRGSHJCJ-HNNXBMFYSA-N 0 3 315.417 2.420 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cnc(CC)s2)C1 ZINC001073908645 790952365 /nfs/dbraw/zinc/95/23/65/790952365.db2.gz QYHUFBNUWDPJNK-ZDUSSCGKSA-N 0 3 323.462 2.102 20 30 DEEDHN C#Cc1ccc(CN2CC[C@H](Oc3nc(C)cc(OC)n3)C2)cc1 ZINC001144580717 790954468 /nfs/dbraw/zinc/95/44/68/790954468.db2.gz GBXXODUIHOYOLX-KRWDZBQOSA-N 0 3 323.396 2.428 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1F ZINC000966187634 783595909 /nfs/dbraw/zinc/59/59/09/783595909.db2.gz ZHONWMPURQTZTG-MRXNPFEDSA-N 0 3 324.359 2.097 20 30 DEEDHN C#Cc1ccc(CN2CCC3(CC2)N=C(CC)N(C)C3=O)cc1 ZINC001144581475 790956354 /nfs/dbraw/zinc/95/63/54/790956354.db2.gz SBZXVJBSTSQAOB-UHFFFAOYSA-N 0 3 309.413 2.283 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001099957878 783614687 /nfs/dbraw/zinc/61/46/87/783614687.db2.gz XPSFRKOXZDGWCC-DLBZAZTESA-N 0 3 306.450 2.088 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC000966323294 783636789 /nfs/dbraw/zinc/63/67/89/783636789.db2.gz GMYOPIDEFDTXGT-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098376740 783661668 /nfs/dbraw/zinc/66/16/68/783661668.db2.gz ARDJEPSJDCMAKF-UHFFFAOYSA-N 0 3 312.429 2.010 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098378743 783670312 /nfs/dbraw/zinc/67/03/12/783670312.db2.gz DFCCJUJKPVFENK-UHFFFAOYSA-N 0 3 320.836 2.020 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2cnccc2OC)C1 ZINC000966903963 783807080 /nfs/dbraw/zinc/80/70/80/783807080.db2.gz LHLMIXBYHHYAGE-GOEBONIOSA-N 0 3 317.433 2.035 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccsc2COC)C1 ZINC000966915067 783818052 /nfs/dbraw/zinc/81/80/52/783818052.db2.gz PBHAPMBZCFOZSN-ZFWWWQNUSA-N 0 3 320.458 2.358 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC000966978537 783847441 /nfs/dbraw/zinc/84/74/41/783847441.db2.gz NSUVIXLZSWFSKV-CJNGLKHVSA-N 0 3 305.397 2.166 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccoc3)C2)s1 ZINC000967013243 783857548 /nfs/dbraw/zinc/85/75/48/783857548.db2.gz SXVNZAOSYDSIFW-GFCCVEGCSA-N 0 3 301.371 2.217 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001085597028 783869109 /nfs/dbraw/zinc/86/91/09/783869109.db2.gz OOKCNZRXLDMPKP-HUUCEWRRSA-N 0 3 316.449 2.329 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000967272063 783921019 /nfs/dbraw/zinc/92/10/19/783921019.db2.gz FAUPZIKCTGKURP-GHMZBOCLSA-N 0 3 309.460 2.062 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001085667171 783948258 /nfs/dbraw/zinc/94/82/58/783948258.db2.gz BVICEDIMCFFXIM-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccn2nccc12 ZINC001085697450 783974468 /nfs/dbraw/zinc/97/44/68/783974468.db2.gz MHFLOMXFAIOQCK-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC001085704514 783988084 /nfs/dbraw/zinc/98/80/84/783988084.db2.gz RSABJQJDQUOAAZ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085750784 784041384 /nfs/dbraw/zinc/04/13/84/784041384.db2.gz OSUGUFQPCIKNBV-CYBMUJFWSA-N 0 3 324.856 2.494 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001085912083 784207960 /nfs/dbraw/zinc/20/79/60/784207960.db2.gz WCQBVJPVDHXAHG-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C(F)F ZINC001085918732 784213847 /nfs/dbraw/zinc/21/38/47/784213847.db2.gz LIBIGOWYWHDRIP-NSHDSACASA-N 0 3 312.364 2.080 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC001085946333 784239590 /nfs/dbraw/zinc/23/95/90/784239590.db2.gz GKJTXZAYJBTDOK-QGZVFWFLSA-N 0 3 301.434 2.475 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(Cl)nn(C)c1C ZINC001085948104 784243544 /nfs/dbraw/zinc/24/35/44/784243544.db2.gz BFPHPFJPFLOELL-CYBMUJFWSA-N 0 3 324.856 2.494 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC001085966422 784263386 /nfs/dbraw/zinc/26/33/86/784263386.db2.gz JSTAPAZSIUVYBY-KRWDZBQOSA-N 0 3 315.417 2.367 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001085970143 784268990 /nfs/dbraw/zinc/26/89/90/784268990.db2.gz SYJMPAREMSHRRE-CQSZACIVSA-N 0 3 314.389 2.392 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)/C=C/C3CC3)C2)cc1F ZINC000968316298 784282456 /nfs/dbraw/zinc/28/24/56/784282456.db2.gz JWTJVMIBVKQBRU-MQDFFIGUSA-N 0 3 313.376 2.354 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3c2OCC3)C1 ZINC000968334972 784298227 /nfs/dbraw/zinc/29/82/27/784298227.db2.gz LTKWLOJNSOTCAS-RHSMWYFYSA-N 0 3 312.413 2.085 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1COc2ccccc21 ZINC001086000151 784299421 /nfs/dbraw/zinc/29/94/21/784299421.db2.gz CEUYVSXWKAFQKI-GOEBONIOSA-N 0 3 300.402 2.271 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC000968354259 784316919 /nfs/dbraw/zinc/31/69/19/784316919.db2.gz PJGKZHBWQCHVFD-KDOFPFPSSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379546 784340007 /nfs/dbraw/zinc/34/00/07/784340007.db2.gz YSXUBEAQMMERIO-LSDHHAIUSA-N 0 3 304.438 2.019 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC000968408237 784366650 /nfs/dbraw/zinc/36/66/50/784366650.db2.gz BYOYMHKEPUGVOB-KDOFPFPSSA-N 0 3 312.413 2.180 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC000968431104 784382856 /nfs/dbraw/zinc/38/28/56/784382856.db2.gz IZNWOZFSLAVHEC-GOEBONIOSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC001086093405 784404772 /nfs/dbraw/zinc/40/47/72/784404772.db2.gz ONKCJMFHSLHXSC-KLPPZKSPSA-N 0 3 312.211 2.021 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(C(C)C)CC[C@H]1C ZINC000968521779 784444537 /nfs/dbraw/zinc/44/45/37/784444537.db2.gz WMKSAAKDCWPHFK-CABCVRRESA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC000968524928 784445524 /nfs/dbraw/zinc/44/55/24/784445524.db2.gz JKODQKHPYRCHIN-PBHICJAKSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cnccc2N(C)C)C1 ZINC000968554832 784464070 /nfs/dbraw/zinc/46/40/70/784464070.db2.gz XXQJNCSSCXYFFS-HOCLYGCPSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2conc2C2CC2)C1 ZINC001086194643 784480272 /nfs/dbraw/zinc/48/02/72/784480272.db2.gz IZFIEYIKEIILGO-KLPPZKSPSA-N 0 3 309.797 2.403 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000968601376 784493878 /nfs/dbraw/zinc/49/38/78/784493878.db2.gz CKMIBWZKYOSZSB-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC000968791294 784593654 /nfs/dbraw/zinc/59/36/54/784593654.db2.gz MTUKXPZDLCYRQY-HNNXBMFYSA-N 0 3 303.406 2.289 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC000968837150 784614641 /nfs/dbraw/zinc/61/46/41/784614641.db2.gz KWADSQJIFDTMPJ-SJORKVTESA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968887279 784638334 /nfs/dbraw/zinc/63/83/34/784638334.db2.gz ADHWJNFXCKFTIZ-JKSUJKDBSA-N 0 3 316.449 2.307 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000968949443 784665522 /nfs/dbraw/zinc/66/55/22/784665522.db2.gz MPYITPQXPJVVFK-JZXOWHBKSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC000969108960 784731835 /nfs/dbraw/zinc/73/18/35/784731835.db2.gz QNZGJPVKZACRII-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001086490271 784781323 /nfs/dbraw/zinc/78/13/23/784781323.db2.gz LAPWGIZRFSEZFK-SRVKXCTJSA-N 0 3 313.239 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](O)C1 ZINC001100121454 784859730 /nfs/dbraw/zinc/85/97/30/784859730.db2.gz AERMIEOTKBHFLY-HUUCEWRRSA-N 0 3 308.466 2.024 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001007468847 784927714 /nfs/dbraw/zinc/92/77/14/784927714.db2.gz LCWGLWYEURYJFS-CYBMUJFWSA-N 0 3 321.396 2.390 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001007624197 784965648 /nfs/dbraw/zinc/96/56/48/784965648.db2.gz ZWKQXEFEACDHOD-SFHVURJKSA-N 0 3 321.424 2.381 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001007634922 784966989 /nfs/dbraw/zinc/96/69/89/784966989.db2.gz GKUINRRUHHSFGV-GOSISDBHSA-N 0 3 321.424 2.381 20 30 DEEDHN C=CCCOCC(=O)NC[C@@]1(C)CN([C@@H](C)CCC=C)CCO1 ZINC001108430215 784982457 /nfs/dbraw/zinc/98/24/57/784982457.db2.gz YUDUZOQJYZTMNX-WMZOPIPTSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCCOCC(=O)NC[C@]1(C)CN([C@@H](C)CCC=C)CCO1 ZINC001108430213 784982721 /nfs/dbraw/zinc/98/27/21/784982721.db2.gz YUDUZOQJYZTMNX-FUHWJXTLSA-N 0 3 324.465 2.141 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@H](Oc2cnccn2)C1 ZINC001171230125 791072187 /nfs/dbraw/zinc/07/21/87/791072187.db2.gz AWIXPIJVQLBGEL-PBHICJAKSA-N 0 3 308.385 2.433 20 30 DEEDHN Cc1cc(CNCCCC[C@H](C)NC(=O)CSCC#N)on1 ZINC001169258860 785120131 /nfs/dbraw/zinc/12/01/31/785120131.db2.gz YWGFYJYDRNQVTQ-LBPRGKRZSA-N 0 3 324.450 2.004 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1cncc(OC)n1 ZINC001169706066 785315560 /nfs/dbraw/zinc/31/55/60/785315560.db2.gz PTXDZTLTXWOOED-CQSZACIVSA-N 0 3 320.437 2.216 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001204028933 785344307 /nfs/dbraw/zinc/34/43/07/785344307.db2.gz RUWWJWSSRDMYPN-UTEVDWOZSA-N 0 3 321.248 2.477 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001169759551 785353312 /nfs/dbraw/zinc/35/33/12/785353312.db2.gz GJBHKHCXLHERKU-ZDUSSCGKSA-N 0 3 311.451 2.110 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCc1scnc1C ZINC001169893098 785406974 /nfs/dbraw/zinc/40/69/74/785406974.db2.gz NYMRVYKMPDXNAS-UHFFFAOYSA-N 0 3 301.843 2.233 20 30 DEEDHN Cc1ncc(CN[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C#CC(C)C)C3)o1 ZINC001108683425 785493485 /nfs/dbraw/zinc/49/34/85/785493485.db2.gz GKVVNBOAQNDNKK-JYJNAYRXSA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@@H](CNc1cccc(F)c1C#N)NC(=O)CN1CCC[C@H]1C ZINC001108695856 785497430 /nfs/dbraw/zinc/49/74/30/785497430.db2.gz SGBHOURIMPSROA-QWHCGFSZSA-N 0 3 318.396 2.098 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCSCC)C2 ZINC001108982892 785657933 /nfs/dbraw/zinc/65/79/33/785657933.db2.gz DTNXTTURENFZEB-ILXRZTDVSA-N 0 3 312.479 2.054 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001109171640 785732154 /nfs/dbraw/zinc/73/21/54/785732154.db2.gz YEMVDGQXVYIIAQ-BDXSIMOUSA-N 0 3 318.461 2.471 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001091392643 791141377 /nfs/dbraw/zinc/14/13/77/791141377.db2.gz OJUAYGVYDHVNAT-UHFFFAOYSA-N 0 3 322.840 2.148 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]c(C)cc1C)C2 ZINC001109450020 785882348 /nfs/dbraw/zinc/88/23/48/785882348.db2.gz BRKCUDZFKTVDLD-PMPSAXMXSA-N 0 3 317.433 2.169 20 30 DEEDHN CCc1ccccc1CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010666200 785892306 /nfs/dbraw/zinc/89/23/06/785892306.db2.gz BAJTUCATNRSJQN-KRWDZBQOSA-N 0 3 322.412 2.453 20 30 DEEDHN CC[C@H](C(=O)N(C)CCCNc1cccc(F)c1C#N)N(C)C ZINC001109486975 785897084 /nfs/dbraw/zinc/89/70/84/785897084.db2.gz UDGMORJFQWEBFB-MRXNPFEDSA-N 0 3 320.412 2.298 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001109605473 785957649 /nfs/dbraw/zinc/95/76/49/785957649.db2.gz DCTYKQGPLPSVRW-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnon1)C2 ZINC001109865098 786090018 /nfs/dbraw/zinc/09/00/18/786090018.db2.gz HMOFWNVZTZSXTC-IPYPFGDCSA-N 0 3 306.410 2.375 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001112965248 786332116 /nfs/dbraw/zinc/33/21/16/786332116.db2.gz GRAUPLBHCFDBAO-CVEARBPZSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCCc3nccn32)CC1 ZINC001112965250 786332238 /nfs/dbraw/zinc/33/22/38/786332238.db2.gz GRAUPLBHCFDBAO-HZPDHXFCSA-N 0 3 316.449 2.259 20 30 DEEDHN CCN(CC)CC(=O)N[C@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113073242 786393100 /nfs/dbraw/zinc/39/31/00/786393100.db2.gz UGBXNZCLYFEQSG-CHWSQXEVSA-N 0 3 320.412 2.344 20 30 DEEDHN CCN(CC)CC(=O)N[C@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113073244 786393289 /nfs/dbraw/zinc/39/32/89/786393289.db2.gz UGBXNZCLYFEQSG-QWHCGFSZSA-N 0 3 320.412 2.344 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001014424010 786578915 /nfs/dbraw/zinc/57/89/15/786578915.db2.gz HXNFSCXEDBXRKA-GOEBONIOSA-N 0 3 318.392 2.143 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ncoc2-c2ccccc2)C1 ZINC001014629912 786667225 /nfs/dbraw/zinc/66/72/25/786667225.db2.gz LLPLXPPEGHOPBG-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001014909367 786803384 /nfs/dbraw/zinc/80/33/84/786803384.db2.gz LVLDYAPZKLRDLY-CYBMUJFWSA-N 0 3 307.825 2.353 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)CCCCNCc1ccn(C)n1 ZINC001170283508 786899463 /nfs/dbraw/zinc/89/94/63/786899463.db2.gz UABZFYKQJWMIIX-INIZCTEOSA-N 0 3 318.465 2.378 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001015233038 786951130 /nfs/dbraw/zinc/95/11/30/786951130.db2.gz JYFNPTFMHCVQPW-OAHLLOKOSA-N 0 3 312.413 2.184 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015274052 786971097 /nfs/dbraw/zinc/97/10/97/786971097.db2.gz KXIVQKBAKWHWTM-OLZOCXBDSA-N 0 3 306.356 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001015425539 787046525 /nfs/dbraw/zinc/04/65/25/787046525.db2.gz XCXNKSPCDDPCAO-MRXNPFEDSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cn1c(C)nc2ccccc21 ZINC001157839763 787191991 /nfs/dbraw/zinc/19/19/91/787191991.db2.gz VDUHSZDJSFNBML-UHFFFAOYSA-N 0 3 320.824 2.193 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001015721666 787197263 /nfs/dbraw/zinc/19/72/63/787197263.db2.gz MNADLXVEWRAVSW-KSZLIROESA-N 0 3 314.429 2.277 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)C2CC2)C1 ZINC001130363956 787367146 /nfs/dbraw/zinc/36/71/46/787367146.db2.gz AAXDNSKPAJEBBO-GXTWGEPZSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)CSC)C1 ZINC001130368918 787369951 /nfs/dbraw/zinc/36/99/51/787369951.db2.gz UUSABWCDBYBYEF-OLZOCXBDSA-N 0 3 322.478 2.000 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001086635871 787390468 /nfs/dbraw/zinc/39/04/68/787390468.db2.gz JIYVFUCABPAOCW-QWHCGFSZSA-N 0 3 308.813 2.026 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1F ZINC001130511834 787415087 /nfs/dbraw/zinc/41/50/87/787415087.db2.gz HWBCGHVAFVMVRA-BMFZPTHFSA-N 0 3 315.392 2.339 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(F)ccc1F)C2 ZINC001095939070 787415497 /nfs/dbraw/zinc/41/54/97/787415497.db2.gz GNMHVYOPFAWPKD-PVAVHDDUSA-N 0 3 318.367 2.252 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(F)CCCC2)cc1F ZINC001130617573 787445633 /nfs/dbraw/zinc/44/56/33/787445633.db2.gz CISOLASEDBJUSI-UHFFFAOYSA-N 0 3 307.344 2.185 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130680489 787453791 /nfs/dbraw/zinc/45/37/91/787453791.db2.gz SWFMKEMPQSCJKP-DOTOQJQBSA-N 0 3 318.465 2.316 20 30 DEEDHN Cn1cc(Cl)cc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001131075331 787541526 /nfs/dbraw/zinc/54/15/26/787541526.db2.gz AMOKXBBAKLSUEA-UHFFFAOYSA-N 0 3 316.792 2.070 20 30 DEEDHN Cc1cncc(C)c1C(=O)NCCNCc1cccc(C#N)c1 ZINC001131296136 787585550 /nfs/dbraw/zinc/58/55/50/787585550.db2.gz JPYLJRVYMPBXRX-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)O[C@]2(CCN(CCOCC)C2)C1 ZINC001131665016 787675511 /nfs/dbraw/zinc/67/55/11/787675511.db2.gz BYGQPKNOGPTAHD-AEFFLSMTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC(F)F)C[C@H](C)O2 ZINC001131669248 787677495 /nfs/dbraw/zinc/67/74/95/787677495.db2.gz KOCKMAHXYZXIEA-BBRMVZONSA-N 0 3 316.392 2.300 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)CC=C)C[C@@H](C)O2 ZINC001131687435 787684030 /nfs/dbraw/zinc/68/40/30/787684030.db2.gz AMDFQURBJZJAOJ-VQIMIIECSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@H](C)O2 ZINC001131694461 787693038 /nfs/dbraw/zinc/69/30/38/787693038.db2.gz XROCQJUCKSGWLV-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(F)c1)C2 ZINC001096490461 787697415 /nfs/dbraw/zinc/69/74/15/787697415.db2.gz FLAMWGKYNXFEPF-IKGGRYGDSA-N 0 3 300.377 2.113 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001131779552 787735657 /nfs/dbraw/zinc/73/56/57/787735657.db2.gz GOIDVDPJQJOAPR-DGCLKSJQSA-N 0 3 308.451 2.395 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cccc(C)n2)CC[C@@H]1C ZINC001131817324 787758748 /nfs/dbraw/zinc/75/87/48/787758748.db2.gz LSLAEVDDKOTNFG-JKSUJKDBSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CC(F)(F)F)CC[C@@H]1C ZINC001131891063 787785897 /nfs/dbraw/zinc/78/58/97/787785897.db2.gz DJWKELVOLQEANN-RYUDHWBXSA-N 0 3 308.344 2.111 20 30 DEEDHN CC(C)OCCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037861 787901817 /nfs/dbraw/zinc/90/18/17/787901817.db2.gz JISFRFIMOGBBGO-HZPDHXFCSA-N 0 3 308.466 2.430 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2cc(C)no2)CC[C@@H]1C ZINC001132129630 787939223 /nfs/dbraw/zinc/93/92/23/787939223.db2.gz WVCBGROVZMSSLS-LSDHHAIUSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)C(=O)Nc2ccccc2)CC[C@H]1C ZINC001132160256 787952576 /nfs/dbraw/zinc/95/25/76/787952576.db2.gz JTEMZUSZHBFYJY-GDBMZVCRSA-N 0 3 315.417 2.170 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCn2nc(C)cc2C)CC[C@@H]1C ZINC001132210272 787966355 /nfs/dbraw/zinc/96/63/55/787966355.db2.gz FTCNYKREHYANGD-RDJZCZTQSA-N 0 3 318.465 2.435 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(CCOCC)C2)cc1 ZINC001132214200 787969078 /nfs/dbraw/zinc/96/90/78/787969078.db2.gz CYNZBJVSJYVOJD-MAUKXSAKSA-N 0 3 314.429 2.287 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132217594 787976713 /nfs/dbraw/zinc/97/67/13/787976713.db2.gz DNCWLWNXFSIFCD-HOTGVXAUSA-N 0 3 318.465 2.455 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132217593 787976756 /nfs/dbraw/zinc/97/67/56/787976756.db2.gz DNCWLWNXFSIFCD-CVEARBPZSA-N 0 3 318.465 2.455 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132301634 788010815 /nfs/dbraw/zinc/01/08/15/788010815.db2.gz CQSAYUVLRDUBSJ-UHFFFAOYSA-N 0 3 315.417 2.375 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2occc2C)CC[C@H]1C ZINC001132290529 788013364 /nfs/dbraw/zinc/01/33/64/788013364.db2.gz DPIYGDUQPYJHTE-CVEARBPZSA-N 0 3 320.433 2.302 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001132292410 788014804 /nfs/dbraw/zinc/01/48/04/788014804.db2.gz QODYXBGTKTXORK-GOEBONIOSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132304468 788018773 /nfs/dbraw/zinc/01/87/73/788018773.db2.gz 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788868633 /nfs/dbraw/zinc/86/86/33/788868633.db2.gz RCRRCJGCNRRNIJ-OLZOCXBDSA-N 0 3 307.463 2.484 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)C#CC1CC1)NCc1cc(C2CC2)no1 ZINC001134320829 788869576 /nfs/dbraw/zinc/86/95/76/788869576.db2.gz APDKIQDEZDMFSW-OLZOCXBDSA-N 0 3 315.417 2.338 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001134428482 788915630 /nfs/dbraw/zinc/91/56/30/788915630.db2.gz OMFCOZAVBPJNAU-OAHLLOKOSA-N 0 3 308.397 2.167 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(OC)no1 ZINC001134476656 788951083 /nfs/dbraw/zinc/95/10/83/788951083.db2.gz VOWHVYWVBOILSU-STQMWFEESA-N 0 3 309.410 2.412 20 30 DEEDHN C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001134710948 789045216 /nfs/dbraw/zinc/04/52/16/789045216.db2.gz CAZZIRRZDZODAD-VXGBXAGGSA-N 0 3 318.421 2.122 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)NCc2ccn(C)n2)cc1 ZINC001135184989 789236361 /nfs/dbraw/zinc/23/63/61/789236361.db2.gz RWYYFENLARTAFK-GJZGRUSLSA-N 0 3 324.428 2.088 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1C ZINC001135185089 789236714 /nfs/dbraw/zinc/23/67/14/789236714.db2.gz TYFYBWRMJAANFH-KGLIPLIRSA-N 0 3 306.454 2.395 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cncc(OC)n1 ZINC001135236524 789254261 /nfs/dbraw/zinc/25/42/61/789254261.db2.gz UDESUXBMBFAEDF-QWHCGFSZSA-N 0 3 320.437 2.070 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2CC(C)(C)C2)C1 ZINC001070407561 789315099 /nfs/dbraw/zinc/31/50/99/789315099.db2.gz GWPZDZMRRXFEBD-ZDUSSCGKSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001070418316 789318349 /nfs/dbraw/zinc/31/83/49/789318349.db2.gz LWQUUXVOKDJDKL-JCKWVBRZSA-N 0 3 314.433 2.191 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2cc(C)n(C)n2)C1 ZINC001135427140 789335813 /nfs/dbraw/zinc/33/58/13/789335813.db2.gz MKAYJKKGLNTURO-UONOGXRCSA-N 0 3 318.465 2.458 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071051587 789506427 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C=C(C)CN1CC[C@@]2(C1)CN(C(=O)Cc1ccco1)C[C@@H](C)O2 ZINC001071222426 789600679 /nfs/dbraw/zinc/60/06/79/789600679.db2.gz BUWLYHLYSORGLR-CRAIPNDOSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccncc2C)CC[C@H]1C ZINC001071507970 789748866 /nfs/dbraw/zinc/74/88/66/789748866.db2.gz FRYSDIOLYZAGDL-WBVHZDCISA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)CC[C@@H]1C ZINC001071512558 789751350 /nfs/dbraw/zinc/75/13/50/789751350.db2.gz ZFMFURVBWOELHR-YOEHRIQHSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C3CC3)n(C)n2)CC[C@H]1C ZINC001071548849 789773938 /nfs/dbraw/zinc/77/39/38/789773938.db2.gz MOCHFZJSAFGPQS-UKRRQHHQSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(CC)noc2CC)CC[C@H]1C ZINC001071576844 789789592 /nfs/dbraw/zinc/78/95/92/789789592.db2.gz QFYYRCVZMRRXJE-KGLIPLIRSA-N 0 3 319.449 2.497 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c(CC)noc2CC)CC[C@H]1C ZINC001071576846 789790062 /nfs/dbraw/zinc/79/00/62/789790062.db2.gz 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/nfs/dbraw/zinc/92/73/52/789927352.db2.gz DJZMBABDPVWLDJ-KGLIPLIRSA-N 0 3 303.406 2.254 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@H]1C ZINC001071839449 789938376 /nfs/dbraw/zinc/93/83/76/789938376.db2.gz DPMAIDDMUIJGDR-OCCSQVGLSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2csc3cncn32)CC[C@@H]1C ZINC001071858086 789946208 /nfs/dbraw/zinc/94/62/08/789946208.db2.gz NRZIJPQAWSDZSH-STQMWFEESA-N 0 3 316.430 2.002 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)nn2C)CC[C@H]1C ZINC001071961905 789989178 /nfs/dbraw/zinc/98/91/78/789989178.db2.gz XXSHBGMGHPXXOW-HUUCEWRRSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)CC[C@H]1C ZINC001071994529 790003308 /nfs/dbraw/zinc/00/33/08/790003308.db2.gz FXBPZHQEYPSOES-KGLIPLIRSA-N 0 3 304.438 2.233 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccccc2F)CC[C@H]1C ZINC001072034459 790023523 /nfs/dbraw/zinc/02/35/23/790023523.db2.gz YYPMVJWBADPBBS-GDBMZVCRSA-N 0 3 302.393 2.361 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)CC[C@H]1C ZINC001072036292 790024436 /nfs/dbraw/zinc/02/44/36/790024436.db2.gz ASSSYSKAJDQROK-CJNGLKHVSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)CC[C@@H]1C ZINC001072119762 790059783 /nfs/dbraw/zinc/05/97/83/790059783.db2.gz JEMUONDJBRSOJK-ZFWWWQNUSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)n(C)n2)CC[C@H]1C ZINC001072119794 790060388 /nfs/dbraw/zinc/06/03/88/790060388.db2.gz JSMPFSXKNUGDFK-ZIAGYGMSSA-N 0 3 304.438 2.141 20 30 DEEDHN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNCc1nccs1 ZINC001072285435 790106216 /nfs/dbraw/zinc/10/62/16/790106216.db2.gz VKDVBJYZIPYOEE-UKRRQHHQSA-N 0 3 317.458 2.131 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001072341049 790120020 /nfs/dbraw/zinc/12/00/20/790120020.db2.gz QQLWHCYATXHYRR-CABCVRRESA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC001072731806 790232046 /nfs/dbraw/zinc/23/20/46/790232046.db2.gz NZWBRWTWTCOWTG-UHFFFAOYSA-N 0 3 303.406 2.440 20 30 DEEDHN CC1(C(=O)N2CC3(C2)CCN(Cc2ccc(C#N)cc2)C3)CC1 ZINC001072763130 790240911 /nfs/dbraw/zinc/24/09/11/790240911.db2.gz NKVVKDUEZYUDOO-UHFFFAOYSA-N 0 3 309.413 2.393 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3sccc3CN(C)C)C2)C1 ZINC001072793714 790249014 /nfs/dbraw/zinc/24/90/14/790249014.db2.gz PHCIXMKWDIWEIA-UHFFFAOYSA-N 0 3 319.474 2.144 20 30 DEEDHN CC(C)c1oncc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001146442219 791290565 /nfs/dbraw/zinc/29/05/65/791290565.db2.gz YLBZJOMABYCDKD-UHFFFAOYSA-N 0 3 318.402 2.251 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc3c([nH]2)CCCC3)c1 ZINC001146890017 791397942 /nfs/dbraw/zinc/39/79/42/791397942.db2.gz UHCGRJXKUKUDHD-UHFFFAOYSA-N 0 3 322.412 2.285 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001075017846 791431109 /nfs/dbraw/zinc/43/11/09/791431109.db2.gz UORGHWRBJWVRLO-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN CC(=O)N1CC[C@@H](CNCc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001075172443 791494156 /nfs/dbraw/zinc/49/41/56/791494156.db2.gz QXRMHUALUVTKQN-WFASDCNBSA-N 0 3 303.381 2.291 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3sccc3F)C[C@]2(C)C1 ZINC001091648870 791604462 /nfs/dbraw/zinc/60/44/62/791604462.db2.gz PZWBLZHFVHTVOT-WBMJQRKESA-N 0 3 306.406 2.304 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](OCC)C3CCCC3)C2)C1 ZINC001148005290 791663571 /nfs/dbraw/zinc/66/35/71/791663571.db2.gz SFQSSVSFYNLYTB-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC13CC3)C[C@H](C)O2 ZINC001098642535 791667631 /nfs/dbraw/zinc/66/76/31/791667631.db2.gz FWQAUMHIRMTAOW-GJZGRUSLSA-N 0 3 304.434 2.054 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCOC3)C2)CC1 ZINC001086913964 791849299 /nfs/dbraw/zinc/84/92/99/791849299.db2.gz BWRZRUUJCUKBDV-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccsn3)C2)CC1 ZINC001086929053 791859455 /nfs/dbraw/zinc/85/94/55/791859455.db2.gz VSXOWRRCUAEKTM-CYBMUJFWSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCc3ccc(C)cc3)C[C@]2(C)C1 ZINC001091839481 791888411 /nfs/dbraw/zinc/88/84/11/791888411.db2.gz NWSCLRGPGDXARO-QUCCMNQESA-N 0 3 310.441 2.341 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)n3cccc3)C[C@]2(C)C1 ZINC001092213361 791946931 /nfs/dbraw/zinc/94/69/31/791946931.db2.gz DLLYAJMOIPDKPK-LMMKCTJWSA-N 0 3 313.445 2.243 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC)o2)C1 ZINC001098906653 791981754 /nfs/dbraw/zinc/98/17/54/791981754.db2.gz KWOJWRKNWULUBG-KSSFIOAISA-N 0 3 300.402 2.450 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001098934228 791989213 /nfs/dbraw/zinc/98/92/13/791989213.db2.gz NLBYJRSUWZYJSZ-LRDDRELGSA-N 0 3 322.840 2.234 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001098992437 792021361 /nfs/dbraw/zinc/02/13/61/792021361.db2.gz ASSRMOJWNHQYFF-HNNXBMFYSA-N 0 3 304.438 2.135 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(CC)c2C)C1 ZINC001098991195 792022425 /nfs/dbraw/zinc/02/24/25/792022425.db2.gz RYJVXCHUEBMMMM-LPHOPBHVSA-N 0 3 313.445 2.424 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2CC)C1 ZINC001099015689 792038885 /nfs/dbraw/zinc/03/88/85/792038885.db2.gz XTAFFMPTSKNBHR-YJBOKZPZSA-N 0 3 300.402 2.450 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1nnc(C)o1 ZINC001099055319 792065546 /nfs/dbraw/zinc/06/55/46/792065546.db2.gz REJIMMQXXBWFIS-AWEZNQCLSA-N 0 3 320.437 2.103 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CC(=C)C ZINC001099074540 792078469 /nfs/dbraw/zinc/07/84/69/792078469.db2.gz OOIDMNDULSVBDY-JKSUJKDBSA-N 0 3 306.450 2.208 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2oc(CC)nc2C)C1 ZINC001099109052 792097293 /nfs/dbraw/zinc/09/72/93/792097293.db2.gz ZGDSDBMHVSKMRI-KSSFIOAISA-N 0 3 315.417 2.153 20 30 DEEDHN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001099107242 792097953 /nfs/dbraw/zinc/09/79/53/792097953.db2.gz XEUVIGSHUPLDIC-INIZCTEOSA-N 0 3 319.493 2.101 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(CC(=C)C)C3)nc1 ZINC001099124796 792106537 /nfs/dbraw/zinc/10/65/37/792106537.db2.gz DPLQVXXNUHDCJU-LPHOPBHVSA-N 0 3 309.413 2.223 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccc(=O)[nH]c1 ZINC001099145181 792113797 /nfs/dbraw/zinc/11/37/97/792113797.db2.gz SWBMUGYUMZNPDA-OAHLLOKOSA-N 0 3 317.433 2.123 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1nccn1C ZINC001099148799 792116406 /nfs/dbraw/zinc/11/64/06/792116406.db2.gz JTEOOHMGVGGYAZ-OAHLLOKOSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)c1ccccc1 ZINC001110136927 792139337 /nfs/dbraw/zinc/13/93/37/792139337.db2.gz UNWLBCWXKYNODQ-BDXSIMOUSA-N 0 3 314.429 2.060 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C(F)(F)F ZINC001099241780 792147505 /nfs/dbraw/zinc/14/75/05/792147505.db2.gz ASFNANZXICGLTH-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C=C(Cl)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC001099244559 792149495 /nfs/dbraw/zinc/14/94/95/792149495.db2.gz BVGHISSWZKDRKQ-CQSZACIVSA-N 0 3 324.856 2.312 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnc3ccsc3c2)[C@H](C)C1 ZINC001092884970 792152169 /nfs/dbraw/zinc/15/21/69/792152169.db2.gz SPHLUSWZKKGCOF-TZMCWYRMSA-N 0 3 313.426 2.227 20 30 DEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1CNC(=O)c1cnco1 ZINC001092860513 792153626 /nfs/dbraw/zinc/15/36/26/792153626.db2.gz SMYMCSQQPHWDNX-CZUORRHYSA-N 0 3 324.384 2.044 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cnccn1 ZINC001099299716 792165347 /nfs/dbraw/zinc/16/53/47/792165347.db2.gz UZESXGXURPPLRV-MRXNPFEDSA-N 0 3 316.449 2.202 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ocnc2CC)C[C@H]1C(F)(F)F ZINC001099305793 792167499 /nfs/dbraw/zinc/16/74/99/792167499.db2.gz YWUDAHKJUDTYFQ-MWLCHTKSSA-N 0 3 317.311 2.016 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)c1 ZINC001092954355 792173894 /nfs/dbraw/zinc/17/38/94/792173894.db2.gz VTEIHHOPPJRFTP-LVQRLBQTSA-N 0 3 317.820 2.113 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2csc(C(C)(C)C)n2)[C@H](C)C1 ZINC001093056655 792221485 /nfs/dbraw/zinc/22/14/85/792221485.db2.gz JPABSEHQKIMYRB-CHWSQXEVSA-N 0 3 319.474 2.372 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccccc2OC(C)C)[C@H](C)C1 ZINC001093146237 792252304 /nfs/dbraw/zinc/25/23/04/792252304.db2.gz HXFTZFUVMIAQLL-HZPDHXFCSA-N 0 3 314.429 2.405 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](F)CC)CC2(CCOCC2)C1 ZINC001099588600 792254019 /nfs/dbraw/zinc/25/40/19/792254019.db2.gz FKYZCGBECUFRFC-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099727399 792329942 /nfs/dbraw/zinc/32/99/42/792329942.db2.gz ORXOOQZYDHSSHU-IRXDYDNUSA-N 0 3 302.418 2.013 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@H](O)C1 ZINC001099916643 792401848 /nfs/dbraw/zinc/40/18/48/792401848.db2.gz QNOAZVWXOGMSED-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2C)C[C@H]1O ZINC001099943922 792413633 /nfs/dbraw/zinc/41/36/33/792413633.db2.gz HHHROEBXYKDWQN-DLBZAZTESA-N 0 3 316.445 2.259 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC001099959967 792420404 /nfs/dbraw/zinc/42/04/04/792420404.db2.gz LSANGMCFNYCDRV-CABCVRRESA-N 0 3 322.474 2.054 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC001099974149 792426332 /nfs/dbraw/zinc/42/63/32/792426332.db2.gz NVBOTAFPUGJQIZ-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCOCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100186895 792506921 /nfs/dbraw/zinc/50/69/21/792506921.db2.gz PNZAGPLHXLFJMA-UHFFFAOYSA-N 0 3 306.381 2.013 20 30 DEEDHN CCCc1nc(C)c(CNC2CC(CNC(=O)[C@@H](C)C#N)C2)o1 ZINC001100191647 792508724 /nfs/dbraw/zinc/50/87/24/792508724.db2.gz SFBLYNUYUVDCDV-XGNXJENSSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001100232352 792531658 /nfs/dbraw/zinc/53/16/58/792531658.db2.gz HFUBJYFARHPXNM-IYXRBSQSSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCC1(C(=O)NCC2CC(NCc3conc3C)C2)CCC1 ZINC001100396716 792628582 /nfs/dbraw/zinc/62/85/82/792628582.db2.gz PAZWZDCKPHEHSP-UHFFFAOYSA-N 0 3 315.417 2.161 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001094018217 792708534 /nfs/dbraw/zinc/70/85/34/792708534.db2.gz LLYNKHBORWZZKD-IOASZLSFSA-N 0 3 322.478 2.325 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)COc2ccsc2)C1 ZINC001100873090 792889495 /nfs/dbraw/zinc/88/94/95/792889495.db2.gz UQJRCWMWCYOWRV-UHFFFAOYSA-N 0 3 314.838 2.364 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C2 ZINC001110156969 792908978 /nfs/dbraw/zinc/90/89/78/792908978.db2.gz HZKFDXKPOSYIER-OWSLCNJRSA-N 0 3 313.445 2.197 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(C)nc3C)CCC[C@@H]12 ZINC001094584914 793010759 /nfs/dbraw/zinc/01/07/59/793010759.db2.gz IVUIYPNDTLVGPC-IEBWSBKVSA-N 0 3 311.429 2.306 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC2(CN(C[C@@H](C)CC)C2)n2ccnc21 ZINC001101615368 793272677 /nfs/dbraw/zinc/27/26/77/793272677.db2.gz IIGBQBBHWZLKJA-GJZGRUSLSA-N 0 3 316.449 2.467 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1C ZINC001101806092 793387078 /nfs/dbraw/zinc/38/70/78/793387078.db2.gz BHIIHCVONKLRTG-CHWSQXEVSA-N 0 3 322.371 2.216 20 30 DEEDHN C=CCOCCCC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101853264 793411247 /nfs/dbraw/zinc/41/12/47/793411247.db2.gz ZLOWZKYEUGJABA-IPKOWEFYSA-N 0 3 314.857 2.406 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1C ZINC001102229750 793537044 /nfs/dbraw/zinc/53/70/44/793537044.db2.gz AHHUPZRXBAWIMQ-UKRRQHHQSA-N 0 3 316.449 2.181 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102260690 793547609 /nfs/dbraw/zinc/54/76/09/793547609.db2.gz AMIVDFBXGYOVFE-ARFHVFGLSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150140700 793615541 /nfs/dbraw/zinc/61/55/41/793615541.db2.gz VDXQUCOZHKVUKJ-LSDHHAIUSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ocnc2C)C1 ZINC001102829929 793778423 /nfs/dbraw/zinc/77/84/23/793778423.db2.gz AGUXSIWTVJRDBY-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001102886717 793805929 /nfs/dbraw/zinc/80/59/29/793805929.db2.gz KWPIDOVDXQXOOM-DGCLKSJQSA-N 0 3 320.824 2.327 20 30 DEEDHN N=C(N[C@@H]1CCC[C@@H](n2ncnn2)C1)c1ccc2ccccc2n1 ZINC001173758551 793841561 /nfs/dbraw/zinc/84/15/61/793841561.db2.gz QSMBWHQTAHTNMX-ZIAGYGMSSA-N 0 3 321.388 2.111 20 30 DEEDHN CC[C@@H](CNC(=O)CN(C)C(C)C)Nc1cccc(F)c1C#N ZINC001103109557 793943461 /nfs/dbraw/zinc/94/34/61/793943461.db2.gz NNGHQRROWCXPMK-ZDUSSCGKSA-N 0 3 320.412 2.344 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CCCCC1 ZINC001110177977 794119994 /nfs/dbraw/zinc/11/99/94/794119994.db2.gz PIMXMOJGZCTFSH-IKGGRYGDSA-N 0 3 318.461 2.064 20 30 DEEDHN CC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C#N)ccc2F)C1 ZINC001103799149 794231688 /nfs/dbraw/zinc/23/16/88/794231688.db2.gz KOSIMZAQXLWMCI-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001176801758 794513813 /nfs/dbraw/zinc/51/38/13/794513813.db2.gz QUNHJVSYWWOPRH-AWEZNQCLSA-N 0 3 323.437 2.340 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001176801844 794514563 /nfs/dbraw/zinc/51/45/63/794514563.db2.gz SETSZLTWNUHAHX-UKRRQHHQSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C(F)(F)F ZINC001112108646 794561079 /nfs/dbraw/zinc/56/10/79/794561079.db2.gz IRVZQHCAMUYZLR-HUUCEWRRSA-N 0 3 324.346 2.287 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1C(F)(F)F ZINC001112143454 794564359 /nfs/dbraw/zinc/56/43/59/794564359.db2.gz YPRBLFNJMRKYMY-VXGBXAGGSA-N 0 3 302.340 2.201 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C(F)(F)F ZINC001112150944 794564833 /nfs/dbraw/zinc/56/48/33/794564833.db2.gz SSICMNROZHCUNU-MBJXGIAVSA-N 0 3 314.351 2.035 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CCCOC)C[C@H]1C(F)(F)F ZINC001112189973 794569619 /nfs/dbraw/zinc/56/96/19/794569619.db2.gz FYFZMLUTTZKLEU-JHJVBQTASA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOc1ccccc1F ZINC001115284917 794721974 /nfs/dbraw/zinc/72/19/74/794721974.db2.gz XNAQFHBYESZSFI-UOIKSKOESA-N 0 3 318.392 2.217 20 30 DEEDHN COCC(=O)NCCCCCCNCc1cc(F)ccc1C#N ZINC001177679338 794723279 /nfs/dbraw/zinc/72/32/79/794723279.db2.gz XPXVFROIOBIUSX-UHFFFAOYSA-N 0 3 321.396 2.110 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCOC2)CCCCC1 ZINC001115437508 794771508 /nfs/dbraw/zinc/77/15/08/794771508.db2.gz AVQLJGKAWVNPGQ-ZDUSSCGKSA-N 0 3 300.830 2.184 20 30 DEEDHN Cn1nc2c(c1NC(=O)C(C#N)Cc1cccs1)CCC2 ZINC001177904061 794772232 /nfs/dbraw/zinc/77/22/32/794772232.db2.gz MREJICRJLUGZJL-JTQLQIEISA-N 0 3 300.387 2.291 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(N)cnc1Cl ZINC001177902988 794772322 /nfs/dbraw/zinc/77/23/22/794772322.db2.gz CTDBRHPZUQEOQW-SSDOTTSWSA-N 0 3 307.766 2.095 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)NCC1(NCC#N)CCCCC1 ZINC001115760568 794910729 /nfs/dbraw/zinc/91/07/29/794910729.db2.gz NIJJZXQJCXWPEO-INIZCTEOSA-N 0 3 320.481 2.182 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccn(C)c1 ZINC001178462590 794930590 /nfs/dbraw/zinc/93/05/90/794930590.db2.gz DGHGYMZMCIJSLG-LPHOPBHVSA-N 0 3 321.424 2.269 20 30 DEEDHN Cc1cc(CN[C@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)sn1 ZINC001178653150 794965487 /nfs/dbraw/zinc/96/54/87/794965487.db2.gz ODPUCXNOQLFXDR-ZFWWWQNUSA-N 0 3 305.447 2.190 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc(OCC(=O)OC)cc2)C1 ZINC001116576220 794970744 /nfs/dbraw/zinc/97/07/44/794970744.db2.gz RMDYCLAMLUFVOT-INIZCTEOSA-N 0 3 305.374 2.015 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)[C@@H]1C ZINC001179451654 795116910 /nfs/dbraw/zinc/11/69/10/795116910.db2.gz CZVNWHLIKCRFEG-KKUMJFAQSA-N 0 3 323.481 2.225 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC(C)(C)C)[C@H]1C ZINC001179755653 795173467 /nfs/dbraw/zinc/17/34/67/795173467.db2.gz YKSJVMLWHHXXAI-KKUMJFAQSA-N 0 3 323.481 2.082 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC2CCC1CC2 ZINC001118873144 795234460 /nfs/dbraw/zinc/23/44/60/795234460.db2.gz HNDMXWJHDKDYMT-UHFFFAOYSA-N 0 3 308.381 2.160 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001180268459 795267636 /nfs/dbraw/zinc/26/76/36/795267636.db2.gz BRUVMQLXLRRWHS-TUAOUCFPSA-N 0 3 321.248 2.476 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001180846732 795380226 /nfs/dbraw/zinc/38/02/26/795380226.db2.gz VGRPZLZLNOYRAK-IIYDPXPESA-N 0 3 319.453 2.215 20 30 DEEDHN CCCSCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181316998 795458019 /nfs/dbraw/zinc/45/80/19/795458019.db2.gz HSKVRQIHDGUVEN-GFCCVEGCSA-N 0 3 323.487 2.453 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC001181535491 795488235 /nfs/dbraw/zinc/48/82/35/795488235.db2.gz WFYZQYSFIVWQMZ-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2sc(C3CC3)nc2C)C1 ZINC001182513237 795695542 /nfs/dbraw/zinc/69/55/42/795695542.db2.gz ANXWFPLJLBRZLI-CYBMUJFWSA-N 0 3 303.431 2.156 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](C(=O)NC)C1 ZINC001121876681 795698231 /nfs/dbraw/zinc/69/82/31/795698231.db2.gz VUXKYNRJYOHTKL-GJZGRUSLSA-N 0 3 311.470 2.049 20 30 DEEDHN CN1CCC[C@@](C)(NC(=O)Cc2c[nH]c3cccc(C#N)c23)C1 ZINC001182585615 795710589 /nfs/dbraw/zinc/71/05/89/795710589.db2.gz DVJXKTYZDUIWEP-GOSISDBHSA-N 0 3 310.401 2.183 20 30 DEEDHN C#CC(C)(C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001182635193 795715996 /nfs/dbraw/zinc/71/59/96/795715996.db2.gz ANPSWUFFOYBWGH-UHFFFAOYSA-N 0 3 313.445 2.422 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001122143969 795730392 /nfs/dbraw/zinc/73/03/92/795730392.db2.gz RZOGGSJQYKKOAJ-OWCLPIDISA-N 0 3 323.481 2.191 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001182868419 795770776 /nfs/dbraw/zinc/77/07/76/795770776.db2.gz ZESHCVVGNPVJIZ-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CC1(COC(=O)C2CCCN(C3CC3)C2=O)CCCCC1 ZINC001122886676 795815453 /nfs/dbraw/zinc/81/54/53/795815453.db2.gz NNLIPLOWDRLCMU-CQSZACIVSA-N 0 3 304.390 2.405 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC001123505119 795923660 /nfs/dbraw/zinc/92/36/60/795923660.db2.gz YAPRSQSEAQPQDP-SJORKVTESA-N 0 3 321.465 2.380 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cn2c(C)cc3ccccc32)C1 ZINC001184069552 795981264 /nfs/dbraw/zinc/98/12/64/795981264.db2.gz RGUCXFSYMAHDOE-QGZVFWFLSA-N 0 3 309.413 2.164 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1ccc(C)c(F)c1 ZINC001124487623 796070312 /nfs/dbraw/zinc/07/03/12/796070312.db2.gz GBNIEDYCOHQLLC-CQSZACIVSA-N 0 3 308.397 2.321 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCNCc1ccc(C)c(F)c1 ZINC001124487622 796070531 /nfs/dbraw/zinc/07/05/31/796070531.db2.gz GBNIEDYCOHQLLC-AWEZNQCLSA-N 0 3 308.397 2.321 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOc2ccccc2C)C1 ZINC001184771461 796124325 /nfs/dbraw/zinc/12/43/25/796124325.db2.gz FRGFNBGLUGGDAJ-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001185084749 796186672 /nfs/dbraw/zinc/18/66/72/796186672.db2.gz RPZPEJDOBYZTLM-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](NCc2ccccn2)C12CCC2 ZINC001202848140 796245015 /nfs/dbraw/zinc/24/50/15/796245015.db2.gz YBCHYQRKMOXTEC-IAGOWNOFSA-N 0 3 311.429 2.402 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NCc3cn(C)nc3C)C2)CCC1 ZINC001185463277 796263615 /nfs/dbraw/zinc/26/36/15/796263615.db2.gz NMAOKWSSXCLLFA-MRXNPFEDSA-N 0 3 316.449 2.165 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001139032850 796311456 /nfs/dbraw/zinc/31/14/56/796311456.db2.gz WLCKXAGDCVABBX-HZPDHXFCSA-N 0 3 300.402 2.447 20 30 DEEDHN O=C1C=C2CN(Cc3ccc4nsnc4c3)CCC2S1 ZINC001139211922 796340130 /nfs/dbraw/zinc/34/01/30/796340130.db2.gz RZIKIKHMKJCRGS-CYBMUJFWSA-N 0 3 303.412 2.465 20 30 DEEDHN N#Cc1cccc2c(CN3CCC(n4cnnc4)CC3)c[nH]c21 ZINC001139706590 796413621 /nfs/dbraw/zinc/41/36/21/796413621.db2.gz ZHKUSYOHQCJFBZ-UHFFFAOYSA-N 0 3 306.373 2.468 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccnc(F)c3)C2)C1=O ZINC001139831730 796432737 /nfs/dbraw/zinc/43/27/37/796432737.db2.gz ATFIKSWESLRFCI-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@@H](CC)C(N)=O)C1 ZINC001187341418 796529208 /nfs/dbraw/zinc/52/92/08/796529208.db2.gz UUFIZXBQSAOEEG-CABCVRRESA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c(C)nn(C)c1C)C2 ZINC001203057915 796556875 /nfs/dbraw/zinc/55/68/75/796556875.db2.gz ILYFNWQZKSLAOQ-SJLPKXTDSA-N 0 3 319.449 2.363 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001188164720 796635096 /nfs/dbraw/zinc/63/50/96/796635096.db2.gz COHIYEJOWFHCEO-GFCCVEGCSA-N 0 3 305.447 2.268 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001188328878 796658147 /nfs/dbraw/zinc/65/81/47/796658147.db2.gz BULMDSQLARBICN-FGTMMUONSA-N 0 3 318.461 2.468 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1N1CCCC1 ZINC000838624003 796671706 /nfs/dbraw/zinc/67/17/06/796671706.db2.gz BNTSDMTZJYBKHO-UHFFFAOYSA-N 0 3 314.433 2.363 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000838624191 796672022 /nfs/dbraw/zinc/67/20/22/796672022.db2.gz LHCDFUCAYBIJGT-UHFFFAOYSA-N 0 3 302.422 2.138 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2Cc3ccncc3C2)CC1 ZINC001161213080 796676381 /nfs/dbraw/zinc/67/63/81/796676381.db2.gz FURMSMKHMXNILT-KRWDZBQOSA-N 0 3 311.429 2.121 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001188501391 796678949 /nfs/dbraw/zinc/67/89/49/796678949.db2.gz BVZBYUGXLFAEOV-UYAOXDASSA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@H](OCC)C3CCCC3)[C@@H]2C1 ZINC001188689684 796706066 /nfs/dbraw/zinc/70/60/66/796706066.db2.gz AGHJBXYLTIBMHO-RCCFBDPRSA-N 0 3 318.461 2.138 20 30 DEEDHN N#CCCCCNC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142347903 796736849 /nfs/dbraw/zinc/73/68/49/796736849.db2.gz JMHGIDGNXFJVQB-UHFFFAOYSA-N 0 3 300.406 2.104 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001188886268 796737003 /nfs/dbraw/zinc/73/70/03/796737003.db2.gz VSQXDHSVIVMQEA-IXDOHACOSA-N 0 3 316.449 2.018 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001189006412 796754940 /nfs/dbraw/zinc/75/49/40/796754940.db2.gz DXZQLMSRCCEZQZ-DOTOQJQBSA-N 0 3 306.450 2.445 20 30 DEEDHN N#Cc1ccc2c(CN3CC[C@@H](Oc4cnccn4)C3)c[nH]c2c1 ZINC001142931993 796786339 /nfs/dbraw/zinc/78/63/39/796786339.db2.gz VRDYOIASAHXGCT-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN O=C1C=C2CN(Cc3cnc4ccc(Cl)nn34)CCC2S1 ZINC001142987641 796791412 /nfs/dbraw/zinc/79/14/12/796791412.db2.gz HIMLUZJDPPAPOZ-NSHDSACASA-N 0 3 320.805 2.157 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCc2scnc2C)C1 ZINC001189318054 796807145 /nfs/dbraw/zinc/80/71/45/796807145.db2.gz HDJVTABXLDXANQ-CQSZACIVSA-N 0 3 307.463 2.493 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001149261625 796834270 /nfs/dbraw/zinc/83/42/70/796834270.db2.gz AGADDALVPXJROE-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCC(F)(F)F)C1 ZINC001189556150 796844386 /nfs/dbraw/zinc/84/43/86/796844386.db2.gz IPAAJOXYIRPLOL-GFCCVEGCSA-N 0 3 308.344 2.064 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccccc2)C1 ZINC001149904072 796904200 /nfs/dbraw/zinc/90/42/00/796904200.db2.gz QJUSNWZNPOYOPI-QGZVFWFLSA-N 0 3 302.418 2.012 20 30 DEEDHN CCCCC1CCC(C(=O)NCCNCC#CCOC)CC1 ZINC001150150366 796923729 /nfs/dbraw/zinc/92/37/29/796923729.db2.gz KMQDLJIXAAWSQN-UHFFFAOYSA-N 0 3 308.466 2.339 20 30 DEEDHN COc1cccc(CN(C)[C@H]2CCN(C(=O)C#CC(C)C)C2)c1 ZINC001190047618 796926809 /nfs/dbraw/zinc/92/68/09/796926809.db2.gz UWESWHODRAOWBY-KRWDZBQOSA-N 0 3 314.429 2.387 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001190106609 796932724 /nfs/dbraw/zinc/93/27/24/796932724.db2.gz WPNRMQZIMIFPQR-ZBFHGGJFSA-N 0 3 320.458 2.128 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001150357459 796937615 /nfs/dbraw/zinc/93/76/15/796937615.db2.gz QAFCRBKTTBVJLD-GFCCVEGCSA-N 0 3 320.355 2.112 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001150508502 796949273 /nfs/dbraw/zinc/94/92/73/796949273.db2.gz UVEGNGDRXOTYPG-WMZOPIPTSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001190363142 796988734 /nfs/dbraw/zinc/98/87/34/796988734.db2.gz CXTNQQSKRRNAHU-BHYGNILZSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccncc2F)CC1 ZINC001151042410 797005353 /nfs/dbraw/zinc/00/53/53/797005353.db2.gz GVKPSWOEZBSNEF-UHFFFAOYSA-N 0 3 321.396 2.008 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCO[C@H]2CC2(F)F)C1 ZINC001190436571 797007939 /nfs/dbraw/zinc/00/79/39/797007939.db2.gz WVHYWEMVMCEJGK-KGLIPLIRSA-N 0 3 316.392 2.300 20 30 DEEDHN C#CCCN1CCC(CCOC)(NC(=O)C#CC(C)(C)C)CC1 ZINC001151121100 797012390 /nfs/dbraw/zinc/01/23/90/797012390.db2.gz GDYGSNDWFWXCHO-UHFFFAOYSA-N 0 3 318.461 2.047 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001206640766 797037146 /nfs/dbraw/zinc/03/71/46/797037146.db2.gz JGOGLTNFJVUSJX-PMUMKWKESA-N 0 3 322.412 2.331 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)CCOCC(C)C)C2)CCC1 ZINC001190603923 797038736 /nfs/dbraw/zinc/03/87/36/797038736.db2.gz KQZYZFPFCHAEGP-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001190819675 797084886 /nfs/dbraw/zinc/08/48/86/797084886.db2.gz ZUNNSVMVHIVGNS-HZPDHXFCSA-N 0 3 304.438 2.189 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccco2)C1 ZINC001191019037 797125239 /nfs/dbraw/zinc/12/52/39/797125239.db2.gz JEBDNGLXSRUTCU-IAGOWNOFSA-N 0 3 320.433 2.120 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)NCCCC)CCCCC1 ZINC001152010149 797131476 /nfs/dbraw/zinc/13/14/76/797131476.db2.gz DZPDIMABNDDCTJ-UHFFFAOYSA-N 0 3 323.481 2.135 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCC1)C2 ZINC001110434283 797133988 /nfs/dbraw/zinc/13/39/88/797133988.db2.gz NLNOOAVGOWILMQ-ZACQAIPSSA-N 0 3 306.450 2.491 20 30 DEEDHN CCN(CCc1c(F)cccc1F)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414047 797184786 /nfs/dbraw/zinc/18/47/86/797184786.db2.gz VIDQUHVNNWLRSF-QWHCGFSZSA-N 0 3 323.387 2.494 20 30 DEEDHN CN1CCC(N(C(=O)c2ccnc(C#N)c2)C2CCCC2)CC1 ZINC001191549675 797225316 /nfs/dbraw/zinc/22/53/16/797225316.db2.gz QFMAUPIMAJEJBW-UHFFFAOYSA-N 0 3 312.417 2.432 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCc2ccccc2C)C[C@H]1O ZINC001191645416 797240833 /nfs/dbraw/zinc/24/08/33/797240833.db2.gz KTSXOJJTNSLURI-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN COCC#CCNCCNC(=O)C[C@H](C)CCc1ccccc1 ZINC001153216074 797301802 /nfs/dbraw/zinc/30/18/02/797301802.db2.gz XVSKCUNCKMKBQK-QGZVFWFLSA-N 0 3 316.445 2.001 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccccc1F ZINC001153548594 797352237 /nfs/dbraw/zinc/35/22/37/797352237.db2.gz IHNOZUROTUPMGP-KGLIPLIRSA-N 0 3 306.381 2.053 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCC(F)(F)F)C1 ZINC001192514287 797399874 /nfs/dbraw/zinc/39/98/74/797399874.db2.gz XDPIINMCHRMREY-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](F)c2ccccc2)C1 ZINC001192559726 797406783 /nfs/dbraw/zinc/40/67/83/797406783.db2.gz JNAPOSFATJCZPN-IAGOWNOFSA-N 0 3 320.408 2.433 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC001192845395 797461250 /nfs/dbraw/zinc/46/12/50/797461250.db2.gz HHUIBNGOVHLTKD-HNNXBMFYSA-N 0 3 308.447 2.405 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2ccncc2)c1 ZINC001154144277 797472860 /nfs/dbraw/zinc/47/28/60/797472860.db2.gz CYEULIUEIRSQDV-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2cccnc2)c(F)c1 ZINC001154175788 797479381 /nfs/dbraw/zinc/47/93/81/797479381.db2.gz ZKHWYXNMKSATPP-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001193377382 797555085 /nfs/dbraw/zinc/55/50/85/797555085.db2.gz ROVFYUJSJUGAEN-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1cc(F)ccc1C)[C@H]1CCCO1 ZINC001193594597 797589518 /nfs/dbraw/zinc/58/95/18/797589518.db2.gz XCEQPCNKSDOOSQ-GDBMZVCRSA-N 0 3 304.365 2.233 20 30 DEEDHN O=C(NCCC[NH2+]CC#Cc1ccccc1)c1ccccc1[O-] ZINC001154758832 797605702 /nfs/dbraw/zinc/60/57/02/797605702.db2.gz HZLNPAFEPVYXKE-UHFFFAOYSA-N 0 3 308.381 2.153 20 30 DEEDHN Cc1ccc([C@@H](C#N)c2ccc(-n3nccc3CN)nn2)cc1 ZINC001155123633 797689239 /nfs/dbraw/zinc/68/92/39/797689239.db2.gz BZFSDKBVXQKWQA-OAHLLOKOSA-N 0 3 304.357 2.085 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001155444987 797758770 /nfs/dbraw/zinc/75/87/70/797758770.db2.gz DNWXYEHSIIIQSX-GFCCVEGCSA-N 0 3 310.800 2.481 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1cccc(Cl)c1 ZINC001155593716 797798669 /nfs/dbraw/zinc/79/86/69/797798669.db2.gz OZIBJIFJWZUNAB-UHFFFAOYSA-N 0 3 323.824 2.341 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001155806629 797852550 /nfs/dbraw/zinc/85/25/50/797852550.db2.gz DQXNIVVGENDVJG-CQSZACIVSA-N 0 3 310.401 2.150 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195255709 797860201 /nfs/dbraw/zinc/86/02/01/797860201.db2.gz YZSKJUHQHNRWMV-NKIGNDQYSA-N 0 3 308.466 2.496 20 30 DEEDHN N=C(Nc1ncc2c(n1)CCNC2)c1ccc(C(F)(F)F)cc1 ZINC001155846622 797864688 /nfs/dbraw/zinc/86/46/88/797864688.db2.gz XKZFVDYVEAKYIB-UHFFFAOYSA-N 0 3 321.306 2.178 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@H]1O ZINC001195307169 797875396 /nfs/dbraw/zinc/87/53/96/797875396.db2.gz PNAOPUCRZPJICN-USXIJHARSA-N 0 3 316.445 2.430 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001195401006 797892935 /nfs/dbraw/zinc/89/29/35/797892935.db2.gz QWDITQFYEQPPFR-NUJGCVRESA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(F)c1OCC ZINC001156046710 797913274 /nfs/dbraw/zinc/91/32/74/797913274.db2.gz TWHYLOHUXYAGHO-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001195623368 797931980 /nfs/dbraw/zinc/93/19/80/797931980.db2.gz BTEKGXZGFKWUMU-APHBMKBZSA-N 0 3 318.417 2.287 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)/C=C\C2CC2)c(F)c1 ZINC001156173561 797938888 /nfs/dbraw/zinc/93/88/88/797938888.db2.gz NVFHMYCXJBMNFN-ALCCZGGFSA-N 0 3 301.365 2.259 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(C(C)C)c1C1CC1 ZINC001156283501 797965776 /nfs/dbraw/zinc/96/57/76/797965776.db2.gz XHZAJPRGNVRLHF-CQSZACIVSA-N 0 3 316.449 2.415 20 30 DEEDHN COC(C)(C)CNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156440293 798001778 /nfs/dbraw/zinc/00/17/78/798001778.db2.gz YUMAISDQBZFYDY-NSHDSACASA-N 0 3 320.393 2.262 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nn(C)c2ccccc12 ZINC001156490715 798015335 /nfs/dbraw/zinc/01/53/35/798015335.db2.gz JNVCBKCGVCXISU-CQSZACIVSA-N 0 3 312.417 2.037 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc3cccn3cn2)CC1 ZINC001196259235 798026768 /nfs/dbraw/zinc/02/67/68/798026768.db2.gz JQNPCHIMAREMCM-UHFFFAOYSA-N 0 3 312.417 2.448 20 30 DEEDHN CN1CC[C@H](Nc2ccc([C@@H](C#N)c3ccccc3F)nn2)C1 ZINC001156580932 798034144 /nfs/dbraw/zinc/03/41/44/798034144.db2.gz MRFHGXGWEJBQIJ-JSGCOSHPSA-N 0 3 311.364 2.387 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001196437410 798055018 /nfs/dbraw/zinc/05/50/18/798055018.db2.gz XKBXRFWUSGTMGI-IAGOWNOFSA-N 0 3 319.449 2.153 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](C)n1cccc1 ZINC001156657085 798055986 /nfs/dbraw/zinc/05/59/86/798055986.db2.gz NYKDTSKGFNCRDE-GFCCVEGCSA-N 0 3 314.227 2.054 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001196416230 798057643 /nfs/dbraw/zinc/05/76/43/798057643.db2.gz XQESHIWVPMLIQX-IAOVAPTHSA-N 0 3 320.408 2.264 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(COC)CC2)C12CCC2 ZINC001203175532 798084370 /nfs/dbraw/zinc/08/43/70/798084370.db2.gz CNZYAWUDJOHJNW-STQMWFEESA-N 0 3 312.841 2.183 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001157132212 798147942 /nfs/dbraw/zinc/14/79/42/798147942.db2.gz GBDHTZMWCNWORT-CQSZACIVSA-N 0 3 319.424 2.355 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001157158769 798152213 /nfs/dbraw/zinc/15/22/13/798152213.db2.gz NBCBIYNCQZFNHN-CPFNUKBASA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001157400567 798196913 /nfs/dbraw/zinc/19/69/13/798196913.db2.gz BEHXYIVXXRNZRO-WBVHZDCISA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2ccncn2)CC1 ZINC001197500690 798201685 /nfs/dbraw/zinc/20/16/85/798201685.db2.gz QDVGUQPQTQJBSE-UHFFFAOYSA-N 0 3 302.422 2.371 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CCc1ccns1 ZINC001157718656 798265633 /nfs/dbraw/zinc/26/56/33/798265633.db2.gz WQDRUXPAYPIFBE-ZIAGYGMSSA-N 0 3 320.462 2.158 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cncnc2C2CC2)CC1 ZINC001197995955 798270492 /nfs/dbraw/zinc/27/04/92/798270492.db2.gz WHLCRHIDXGPREY-UHFFFAOYSA-N 0 3 314.433 2.468 20 30 DEEDHN CC(C)C#CC(=O)N1CCCC[C@@H]1CN(C)CCOC(C)C ZINC001157930807 798308560 /nfs/dbraw/zinc/30/85/60/798308560.db2.gz PJZPJOBNCZUGKC-QGZVFWFLSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001158019112 798327346 /nfs/dbraw/zinc/32/73/46/798327346.db2.gz QGEFXJMMERFKAM-CQSZACIVSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001198400321 798328313 /nfs/dbraw/zinc/32/83/13/798328313.db2.gz LJVGNBBUQHVPJR-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(C)CCN[C@H](CNC(=O)CCOC)c1ccccc1OC ZINC001198462769 798338632 /nfs/dbraw/zinc/33/86/32/798338632.db2.gz JOSBQQCRRAWUJQ-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1nc(CC)c[nH]1 ZINC001158082335 798339562 /nfs/dbraw/zinc/33/95/62/798339562.db2.gz BXMVXTAHGYQJNO-OAHLLOKOSA-N 0 3 304.438 2.014 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)c1ccn[nH]1)c1ccccc1OC ZINC001198555982 798361223 /nfs/dbraw/zinc/36/12/23/798361223.db2.gz WVZRQADEEYBLRJ-HNNXBMFYSA-N 0 3 314.389 2.055 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198595927 798363627 /nfs/dbraw/zinc/36/36/27/798363627.db2.gz NPYOTKLLJKXOLK-ZBFHGGJFSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001158261911 798368716 /nfs/dbraw/zinc/36/87/16/798368716.db2.gz JVWGFYIIMKGRNL-NVXWUHKLSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001198940650 798417000 /nfs/dbraw/zinc/41/70/00/798417000.db2.gz 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/nfs/dbraw/zinc/58/88/83/798588883.db2.gz PRTCEDWUKUNLLK-UHFFFAOYSA-N 0 3 320.462 2.121 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2cc(C3CC3)no2)CCC1 ZINC001159644376 798591977 /nfs/dbraw/zinc/59/19/77/798591977.db2.gz MCYAPCMEEOPZNA-UHFFFAOYSA-N 0 3 315.417 2.342 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001159665048 798594409 /nfs/dbraw/zinc/59/44/09/798594409.db2.gz JFEBWXHIJBXQME-UONOGXRCSA-N 0 3 302.846 2.430 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C2(c3ccccn3)CC2)CC1 ZINC001160131832 798652373 /nfs/dbraw/zinc/65/23/73/798652373.db2.gz XAPIZKATPNCIKZ-UHFFFAOYSA-N 0 3 323.440 2.275 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccn(C(F)F)n2)CC1 ZINC001160242233 798665420 /nfs/dbraw/zinc/66/54/20/798665420.db2.gz HLBIHTNHDKRLEQ-UHFFFAOYSA-N 0 3 322.359 2.054 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccnn2CC(C)C)CC1 ZINC001160269078 798669581 /nfs/dbraw/zinc/66/95/81/798669581.db2.gz PFBQWRNFBDQFMP-UHFFFAOYSA-N 0 3 316.449 2.477 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cn3c(n2)CCCC3)CC1 ZINC001160296217 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/nfs/dbraw/zinc/13/60/25/801136025.db2.gz PHAOVUNABLSBMD-GDBMZVCRSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCN1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001209163888 801141013 /nfs/dbraw/zinc/14/10/13/801141013.db2.gz LJSPSZKEBCMCRZ-INIZCTEOSA-N 0 3 312.410 2.095 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c(C)noc2C)C1 ZINC001209254685 801159885 /nfs/dbraw/zinc/15/98/85/801159885.db2.gz OJJMJDXSSZSQAK-PBFPGSCMSA-N 0 3 319.449 2.483 20 30 DEEDHN N#Cc1ccccc1O[C@@H]1CCCN(Cc2cnccc2N)C1 ZINC001209736595 801269843 /nfs/dbraw/zinc/26/98/43/801269843.db2.gz GEBZNPZZKJBFRH-MRXNPFEDSA-N 0 3 308.385 2.409 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001209995656 801318171 /nfs/dbraw/zinc/31/81/71/801318171.db2.gz SLLDKHUFPOWFBQ-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001210018011 801322490 /nfs/dbraw/zinc/32/24/90/801322490.db2.gz PYGWPSJIUHKYNP-BZUAXINKSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001229887659 801333030 /nfs/dbraw/zinc/33/30/30/801333030.db2.gz YZWPXWSWNXEHQE-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cnccn1 ZINC001230638210 801446047 /nfs/dbraw/zinc/44/60/47/801446047.db2.gz MOAWAGHRKSEGOK-HNNXBMFYSA-N 0 3 302.422 2.369 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654254 801452159 /nfs/dbraw/zinc/45/21/59/801452159.db2.gz MTPBHYKAQHORQI-OAHLLOKOSA-N 0 3 308.422 2.154 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)cn1 ZINC001210728435 801454145 /nfs/dbraw/zinc/45/41/45/801454145.db2.gz NWKUSGAWLNGTEG-GDBMZVCRSA-N 0 3 303.381 2.005 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001210832019 801472014 /nfs/dbraw/zinc/47/20/14/801472014.db2.gz GRQWFEVAJWCRDN-MLGOLLRUSA-N 0 3 324.371 2.218 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@H](F)CC)Cc1cccnc1 ZINC001230813738 801501553 /nfs/dbraw/zinc/50/15/53/801501553.db2.gz DVVUMPKPARKCQR-MRXNPFEDSA-N 0 3 305.397 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C=CCCOCCCCC(=O)N1CCO[C@@H]2CN(CCC)C[C@@H]21 ZINC001217886130 802119113 /nfs/dbraw/zinc/11/91/13/802119113.db2.gz CSDVLPTZFAGNRA-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C(CC=C)CC=C)[C@H]2C1 ZINC001217986985 802128343 /nfs/dbraw/zinc/12/83/43/802128343.db2.gz LJMQDEHMJXEGCF-DLBZAZTESA-N 0 3 304.434 2.243 20 30 DEEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CC[C@H]1CCCO1 ZINC001233488897 802129391 /nfs/dbraw/zinc/12/93/91/802129391.db2.gz IFGUQBRDTGZUOK-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001233611774 802164958 /nfs/dbraw/zinc/16/49/58/802164958.db2.gz UHXKIJFHZPJKNF-HOTGVXAUSA-N 0 3 323.481 2.016 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001233655177 802176455 /nfs/dbraw/zinc/17/64/55/802176455.db2.gz WMGSORQJOSBWKQ-HZPDHXFCSA-N 0 3 322.449 2.219 20 30 DEEDHN C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(=O)[n-]c2c1SCCC2 ZINC001218461152 802187231 /nfs/dbraw/zinc/18/72/31/802187231.db2.gz ZVYFYJSMAXKSPT-ZYHUDNBSSA-N 0 3 307.419 2.296 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C/C=C(/C)C=C)[C@H]2C1 ZINC001218485991 802190430 /nfs/dbraw/zinc/19/04/30/802190430.db2.gz BAWWFAUHLRLZGB-IFORROHYSA-N 0 3 304.434 2.387 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)(F)F)[C@H]2C1 ZINC001218638326 802219919 /nfs/dbraw/zinc/21/99/19/802219919.db2.gz FXMDGURWFYAALK-HZSPNIEDSA-N 0 3 316.392 2.156 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnnn1CC ZINC001234058954 802282580 /nfs/dbraw/zinc/28/25/80/802282580.db2.gz KKLHBBUOZXXDNF-OAHLLOKOSA-N 0 3 321.469 2.415 20 30 DEEDHN COCCCCCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214377 802327206 /nfs/dbraw/zinc/32/72/06/802327206.db2.gz ANZJMFKJFJERSR-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN CO[C@@H](CN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C)C1CCC1 ZINC001234216203 802327327 /nfs/dbraw/zinc/32/73/27/802327327.db2.gz VCNAIZYWUFCYGZ-SJORKVTESA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@@H]1CCN1CCCCCC=C ZINC001234246293 802334568 /nfs/dbraw/zinc/33/45/68/802334568.db2.gz LQRZVHYDUADYIK-KRWDZBQOSA-N 0 3 306.450 2.305 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H](O)C1 ZINC001219457908 802334980 /nfs/dbraw/zinc/33/49/80/802334980.db2.gz JTTVAHMXYXDISD-CFVMTHIKSA-N 0 3 306.406 2.026 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC001219718543 802373676 /nfs/dbraw/zinc/37/36/76/802373676.db2.gz IXKJJEITDSINAJ-KURKYZTESA-N 0 3 314.429 2.192 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)cc(Cl)c2)[C@@H](O)C1 ZINC001220002183 802400015 /nfs/dbraw/zinc/40/00/15/802400015.db2.gz DSAQXKZSTUVTCI-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001220051857 802407219 /nfs/dbraw/zinc/40/72/19/802407219.db2.gz NUGRZKZEVZKXRP-OYNZLANYSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2cccc(Cl)c2)[C@@H](O)C1 ZINC001220094320 802410566 /nfs/dbraw/zinc/41/05/66/802410566.db2.gz NGAVGTNCIPZLJM-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@](C)(C=C)CC)[C@@H](O)C1 ZINC001220293532 802440984 /nfs/dbraw/zinc/44/09/84/802440984.db2.gz KNADQQQRHUPVRT-RYRKJORJSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001220426099 802459408 /nfs/dbraw/zinc/45/94/08/802459408.db2.gz UIUFYIMXHAUGND-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCC2CCCC2)C[C@@H]1O ZINC001220436837 802460758 /nfs/dbraw/zinc/46/07/58/802460758.db2.gz JLDLPOJJMZKIRW-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001220570640 802474762 /nfs/dbraw/zinc/47/47/62/802474762.db2.gz SKNJZYAJYPZNLS-XKQJLSEDSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001221166061 802533564 /nfs/dbraw/zinc/53/35/64/802533564.db2.gz HZAXYRNLNYXDNN-CVEARBPZSA-N 0 3 314.385 2.174 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001222067621 802636474 /nfs/dbraw/zinc/63/64/74/802636474.db2.gz KTUOOIOFXNNPPY-RDJZCZTQSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2CCN(Cc3cn(C)nc3C)[C@H]2C1 ZINC001222406732 802681025 /nfs/dbraw/zinc/68/10/25/802681025.db2.gz CURIQVRUIDXMKP-WBVHZDCISA-N 0 3 316.449 2.118 20 30 DEEDHN C(#Cc1ccccc1)c1ccc(CN2CCOC3(CNC3)C2)s1 ZINC001222447338 802687025 /nfs/dbraw/zinc/68/70/25/802687025.db2.gz RYNVGYHFYRSKQQ-UHFFFAOYSA-N 0 3 324.449 2.322 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001222452174 802687954 /nfs/dbraw/zinc/68/79/54/802687954.db2.gz BOBSEKLWSVJHTJ-OLZOCXBDSA-N 0 3 320.355 2.064 20 30 DEEDHN C=CCCCC(=O)NCC1CCN([C@H](CCCC)C(N)=O)CC1 ZINC001224277302 802854712 /nfs/dbraw/zinc/85/47/12/802854712.db2.gz VNBWECMXWCLYAO-MRXNPFEDSA-N 0 3 323.481 2.215 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC001225271729 802949622 /nfs/dbraw/zinc/94/96/22/802949622.db2.gz YLHFRRBIUKSLDF-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2cccc(OC)c2)CC1 ZINC001225333241 802956798 /nfs/dbraw/zinc/95/67/98/802956798.db2.gz POQNGUSSVPDDDU-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2c(C)cccc2C)CC1 ZINC001225363340 802957984 /nfs/dbraw/zinc/95/79/84/802957984.db2.gz BGFCEWFQSYXMNL-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001225920572 803030001 /nfs/dbraw/zinc/03/00/01/803030001.db2.gz CYIJBDAKFAJTOG-HUUCEWRRSA-N 0 3 305.447 2.464 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001226126264 803057868 /nfs/dbraw/zinc/05/78/68/803057868.db2.gz HMBLRWNOLKMENG-HUUCEWRRSA-N 0 3 303.431 2.074 20 30 DEEDHN Cc1cc(CN2CCC(NC(=O)CSCC#N)CC2)cs1 ZINC001226152593 803061957 /nfs/dbraw/zinc/06/19/57/803061957.db2.gz LDHIJNLIQHTBEA-UHFFFAOYSA-N 0 3 323.487 2.394 20 30 DEEDHN C=CCOCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001226598433 803129766 /nfs/dbraw/zinc/12/97/66/803129766.db2.gz GQWUDCPFFYROSB-UHFFFAOYSA-N 0 3 308.447 2.340 20 30 DEEDHN COc1cccc(CN2CCC(NC(=O)[C@@H](C)C#N)CC2)c1C ZINC001226641335 803136435 /nfs/dbraw/zinc/13/64/35/803136435.db2.gz YPOUIJXCXWVQJM-ZDUSSCGKSA-N 0 3 315.417 2.244 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001330771213 1149289050 /nfs/dbraw/zinc/28/90/50/1149289050.db2.gz YXFMNSUHSUWRDB-CHWSQXEVSA-N 0 3 316.380 2.232 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](NCc1cccc(F)c1F)C1CC1 ZINC001417971623 1167336929 /nfs/dbraw/zinc/33/69/29/1167336929.db2.gz WHQUWSWMHZVAIY-QMTHXVAHSA-N 0 3 307.344 2.109 20 30 DEEDHN Cc1cc(CNCCC[C@@H](C)NC(=O)C#CC(C)(C)C)ncn1 ZINC001330811255 1149302609 /nfs/dbraw/zinc/30/26/09/1149302609.db2.gz KOSFQPKTCCYDBF-CQSZACIVSA-N 0 3 316.449 2.209 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1sccc1Cl ZINC001331453784 1149461157 /nfs/dbraw/zinc/46/11/57/1149461157.db2.gz AIJKLMVWQXJCQP-NSHDSACASA-N 0 3 314.838 2.101 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001331458296 1149466650 /nfs/dbraw/zinc/46/66/50/1149466650.db2.gz JYXLCZVVYYKYGI-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COc1ccc(C)c(C)c1 ZINC001331632378 1149566486 /nfs/dbraw/zinc/56/64/86/1149566486.db2.gz QWZDUAUDHJAXBD-INIZCTEOSA-N 0 3 302.418 2.142 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC001343234084 1150717104 /nfs/dbraw/zinc/71/71/04/1150717104.db2.gz PXBHRQWBKGQBKR-HZPDHXFCSA-N 0 3 306.381 2.409 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC001343355904 1150737507 /nfs/dbraw/zinc/73/75/07/1150737507.db2.gz IFRXKXWJYMWLFH-HNNXBMFYSA-N 0 3 307.463 2.076 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c[nH]nc1-c1ccoc1 ZINC001327239345 1148402386 /nfs/dbraw/zinc/40/23/86/1148402386.db2.gz MPMAQCOELSSNGG-UHFFFAOYSA-N 0 3 314.389 2.087 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCS[C@]1(C)Cc1ccccc1 ZINC001574963793 1069310862 /nfs/dbraw/zinc/31/08/62/1069310862.db2.gz XJKSZBQZJLIRFL-DOTOQJQBSA-N 0 3 302.443 2.261 20 30 DEEDHN C=CCCCC(=O)NC[C@H](CO)N[C@@H]1CCc2c1cccc2F ZINC001331774156 1149670606 /nfs/dbraw/zinc/67/06/06/1149670606.db2.gz KXCMVEFWYQXWOV-CXAGYDPISA-N 0 3 320.408 2.236 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001344028805 1150793286 /nfs/dbraw/zinc/79/32/86/1150793286.db2.gz HSZXLHCLXOZBLL-USXIJHARSA-N 0 3 317.433 2.007 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)Cc1ccco1 ZINC001368873460 1148738127 /nfs/dbraw/zinc/73/81/27/1148738127.db2.gz HNABIZWLHVUQOO-NEPJUHHUSA-N 0 3 317.414 2.438 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@@H]1C ZINC001345376883 1150885533 /nfs/dbraw/zinc/88/55/33/1150885533.db2.gz YRDSNVPSDJLSBF-ILXRZTDVSA-N 0 3 323.481 2.035 20 30 DEEDHN Cc1nc(CN[C@@H](C)CCNC(=O)C#CC2CC2)c(C)s1 ZINC001328342823 1148777272 /nfs/dbraw/zinc/77/72/72/1148777272.db2.gz LHDURWCHOIXUMX-NSHDSACASA-N 0 3 305.447 2.158 20 30 DEEDHN Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2cccc(C#N)c2)n1C ZINC001368936222 1148787824 /nfs/dbraw/zinc/78/78/24/1148787824.db2.gz MCURSGCDLGATGL-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNC(=O)C(C)(C)N1CCCCC1 ZINC001522658770 1069434006 /nfs/dbraw/zinc/43/40/06/1069434006.db2.gz FOFICFPAKBXGAX-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@@H](CNC(=O)Cc1cccnc1)N(C)Cc1cccc(C#N)c1 ZINC001368947218 1148802141 /nfs/dbraw/zinc/80/21/41/1148802141.db2.gz SBRCFWVOXMTUJZ-HNNXBMFYSA-N 0 3 322.412 2.132 20 30 DEEDHN C#CCN1CCC[C@H]([NH2+][C@H](CC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001602721279 1069736664 /nfs/dbraw/zinc/73/66/64/1069736664.db2.gz COOYEZOCSGBIMB-DLBZAZTESA-N 0 3 324.432 2.005 20 30 DEEDHN C#CCN1CCC[C@H]([NH2+][C@H](CC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001602721279 1069736671 /nfs/dbraw/zinc/73/66/71/1069736671.db2.gz COOYEZOCSGBIMB-DLBZAZTESA-N 0 3 324.432 2.005 20 30 DEEDHN C=CC(C)(C)CCC[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602786642 1069754321 /nfs/dbraw/zinc/75/43/21/1069754321.db2.gz BKDWWIIVOQRRFN-HNNXBMFYSA-N 0 3 315.421 2.482 20 30 DEEDHN C=CC(C)(C)CCC[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602786642 1069754328 /nfs/dbraw/zinc/75/43/28/1069754328.db2.gz BKDWWIIVOQRRFN-HNNXBMFYSA-N 0 3 315.421 2.482 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602871895 1069782571 /nfs/dbraw/zinc/78/25/71/1069782571.db2.gz ZUPOBNXDKLQTQV-MRXNPFEDSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602871895 1069782582 /nfs/dbraw/zinc/78/25/82/1069782582.db2.gz ZUPOBNXDKLQTQV-MRXNPFEDSA-N 0 3 313.405 2.426 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001328557191 1148810198 /nfs/dbraw/zinc/81/01/98/1148810198.db2.gz DRYUUXPZVLABHM-INIZCTEOSA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]2[C@H]2CCCOC2)CC1 ZINC001527461713 1070485265 /nfs/dbraw/zinc/48/52/65/1070485265.db2.gz RSGNIFWNPBPMDW-RDJZCZTQSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](OC)C1CCC1 ZINC001328686965 1148824541 /nfs/dbraw/zinc/82/45/41/1148824541.db2.gz TWXXJVSRVKMRIO-KZNAEPCWSA-N 0 3 314.429 2.359 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC1(F)F ZINC001328733872 1148829392 /nfs/dbraw/zinc/82/93/92/1148829392.db2.gz RWQVTIDIXHIIHS-ZIAGYGMSSA-N 0 3 316.392 2.157 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCNC(=O)CN(C)CCC)CC1 ZINC001528987108 1070801855 /nfs/dbraw/zinc/80/18/55/1070801855.db2.gz YKYVQOVBJAMTMU-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)OC ZINC001328797481 1148836248 /nfs/dbraw/zinc/83/62/48/1148836248.db2.gz OFFXUHHEKOMEDW-ROUUACIJSA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)CN(CC)CC ZINC001532599555 1071686980 /nfs/dbraw/zinc/68/69/80/1071686980.db2.gz RJDXBWHCAHIWMW-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N([O-])Cc1ccc(F)cc1 ZINC001458018122 1058040717 /nfs/dbraw/zinc/04/07/17/1058040717.db2.gz SWFJKVUILCDTAR-AWEZNQCLSA-N 0 3 315.348 2.465 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCC(=O)N(C)C(C)C ZINC001499918958 1058376289 /nfs/dbraw/zinc/37/62/89/1058376289.db2.gz KRTJTUCMISUHNM-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001460483422 1058388794 /nfs/dbraw/zinc/38/87/94/1058388794.db2.gz VXOIBQVMKYEYDN-LJQANCHMSA-N 0 3 300.446 2.479 20 30 DEEDHN C#CCN1CCC(C)(NC(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001499986783 1058415388 /nfs/dbraw/zinc/41/53/88/1058415388.db2.gz QSEHMSXXSRSHCR-HNNXBMFYSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@@](C)(C=C)CC)C2)CC1 ZINC001500018675 1058434365 /nfs/dbraw/zinc/43/43/65/1058434365.db2.gz MPJAWIXVYDFXBN-AEFFLSMTSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H](C)OC)C2 ZINC001500156288 1058527517 /nfs/dbraw/zinc/52/75/17/1058527517.db2.gz MOEJKRMOULSPSG-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccc(OC)c2)C1 ZINC001500287853 1058670557 /nfs/dbraw/zinc/67/05/57/1058670557.db2.gz YJDYUTCKSWANSP-SFHVURJKSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001500444679 1058788247 /nfs/dbraw/zinc/78/82/47/1058788247.db2.gz RZWWXQSNTXDOAM-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001500444676 1058788799 /nfs/dbraw/zinc/78/87/99/1058788799.db2.gz RZWWXQSNTXDOAM-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#C[C@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001462295318 1058796645 /nfs/dbraw/zinc/79/66/45/1058796645.db2.gz KCQJKWAJLCCXKV-KBPBESRZSA-N 0 3 310.438 2.260 20 30 DEEDHN Cc1cncc(CN2CCC[C@](C)(CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001500485006 1058839344 /nfs/dbraw/zinc/83/93/44/1058839344.db2.gz FGDYCLGFQTTXFT-MAUKXSAKSA-N 0 3 314.433 2.268 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)CSCCC)C1 ZINC001500608022 1058954392 /nfs/dbraw/zinc/95/43/92/1058954392.db2.gz UQQPVAVPPCGZPG-ZDUSSCGKSA-N 0 3 318.433 2.226 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001500614219 1058963651 /nfs/dbraw/zinc/96/36/51/1058963651.db2.gz SWKDBBBXCLTPFR-ZDUSSCGKSA-N 0 3 318.408 2.045 20 30 DEEDHN CCCCCCCS(=O)(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001464698118 1059183333 /nfs/dbraw/zinc/18/33/33/1059183333.db2.gz VKDPFGVHXLBUGI-CABCVRRESA-N 0 3 302.484 2.170 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cncs1)C2 ZINC001501003588 1059195584 /nfs/dbraw/zinc/19/55/84/1059195584.db2.gz TZWVJIZOMNCXEW-ZNMIVQPWSA-N 0 3 317.458 2.272 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)C(C)(C)N(C)CC ZINC001501292899 1059432459 /nfs/dbraw/zinc/43/24/59/1059432459.db2.gz GMXLCEODFVSVHT-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001501323302 1059449412 /nfs/dbraw/zinc/44/94/12/1059449412.db2.gz CYYXETRTTZPPGK-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)CCCOC(C)C)[C@@H]2C1 ZINC001501427303 1059504222 /nfs/dbraw/zinc/50/42/22/1059504222.db2.gz GVFDANKRRGBYDU-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC001501537867 1059535448 /nfs/dbraw/zinc/53/54/48/1059535448.db2.gz QBWWUJQVYZXLAW-LBPRGKRZSA-N 0 3 310.829 2.166 20 30 DEEDHN C[C@@H](NC(=O)c1cc[nH]c1)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001329030456 1148859230 /nfs/dbraw/zinc/85/92/30/1148859230.db2.gz AWNPWQNGKIITGT-UONOGXRCSA-N 0 3 313.376 2.302 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1c[nH]nc1C ZINC001501665383 1059619384 /nfs/dbraw/zinc/61/93/84/1059619384.db2.gz AZICJZULJQNDRU-UHFFFAOYSA-N 0 3 310.401 2.103 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccnn2C)cc1 ZINC001501674243 1059627762 /nfs/dbraw/zinc/62/77/62/1059627762.db2.gz WCXMKEYZXNDLBA-AWEZNQCLSA-N 0 3 310.401 2.024 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001533721177 1071896078 /nfs/dbraw/zinc/89/60/78/1071896078.db2.gz GAAMQCCQXCYKSN-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]cnc1C(F)(F)F ZINC001467728290 1059693083 /nfs/dbraw/zinc/69/30/83/1059693083.db2.gz DIIYMAZUEANRQE-UHFFFAOYSA-N 0 3 304.316 2.008 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1nc[nH]c1C(F)(F)F ZINC001467728290 1059693095 /nfs/dbraw/zinc/69/30/95/1059693095.db2.gz DIIYMAZUEANRQE-UHFFFAOYSA-N 0 3 304.316 2.008 20 30 DEEDHN C=C1CCC(C(=O)NCC2(NCc3cnn(C)c3)CCC2)CC1 ZINC001501997629 1059849320 /nfs/dbraw/zinc/84/93/20/1059849320.db2.gz PMAJFNCZPTZIPK-UHFFFAOYSA-N 0 3 316.449 2.295 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@@H](CC)CCCC)CCO1 ZINC001502067090 1059905077 /nfs/dbraw/zinc/90/50/77/1059905077.db2.gz VBGZLKVJGBVNNI-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C(C)(C)C2CCCCC2)CCO1 ZINC001502081762 1059917269 /nfs/dbraw/zinc/91/72/69/1059917269.db2.gz XECJCTAGGPDDHT-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1ccncc1CN1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 ZINC001502111812 1059946230 /nfs/dbraw/zinc/94/62/30/1059946230.db2.gz CBVZPPNGASELNX-ZBFHGGJFSA-N 0 3 300.406 2.020 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](NC(=O)C#CC3CC3)CC2)cc1 ZINC001502121730 1059957945 /nfs/dbraw/zinc/95/79/45/1059957945.db2.gz RHCZGHFGGIHCKY-IBGZPJMESA-N 0 3 321.424 2.442 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC001502537822 1060170637 /nfs/dbraw/zinc/17/06/37/1060170637.db2.gz BHYQHIZIAWQKRV-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001471141682 1060185687 /nfs/dbraw/zinc/18/56/87/1060185687.db2.gz NTPLGHPXIMQVMB-LJQANCHMSA-N 0 3 323.440 2.237 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001502574237 1060185663 /nfs/dbraw/zinc/18/56/63/1060185663.db2.gz AGHIMTJMLZZUIV-MAUKXSAKSA-N 0 3 308.466 2.025 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001502594670 1060190760 /nfs/dbraw/zinc/19/07/60/1060190760.db2.gz BDNHRNDXSFWSRB-GOSISDBHSA-N 0 3 308.466 2.025 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001502875457 1060363283 /nfs/dbraw/zinc/36/32/83/1060363283.db2.gz PGBKFXMADTURFS-CYBMUJFWSA-N 0 3 316.873 2.364 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)/C=C\C(C)(C)C)CC2)C1 ZINC001502840359 1060350212 /nfs/dbraw/zinc/35/02/12/1060350212.db2.gz JHDTXOMQMGJGNZ-VURMDHGXSA-N 0 3 319.493 2.383 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)/C=C/C(C)(C)C)CC2)C1 ZINC001502840358 1060351787 /nfs/dbraw/zinc/35/17/87/1060351787.db2.gz JHDTXOMQMGJGNZ-SOFGYWHQSA-N 0 3 319.493 2.383 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(-n4ccnc4)cc3)C2)C1 ZINC001472129511 1060425763 /nfs/dbraw/zinc/42/57/63/1060425763.db2.gz NODHHBUWSBAOPP-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)Cn1cccn1 ZINC001503668115 1060456954 /nfs/dbraw/zinc/45/69/54/1060456954.db2.gz POHBAOFEOYTLFK-SFHVURJKSA-N 0 3 324.428 2.175 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCC(=O)NCCC ZINC001505405290 1060541134 /nfs/dbraw/zinc/54/11/34/1060541134.db2.gz WHYVDBRRWGTCHT-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1oc(C)nc1C ZINC001505413832 1060550798 /nfs/dbraw/zinc/55/07/98/1060550798.db2.gz RDQLVEKXWZGHSS-IAGOWNOFSA-N 0 3 323.396 2.300 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001505435259 1060594333 /nfs/dbraw/zinc/59/43/33/1060594333.db2.gz 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CC#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2cncc(C)c2)C1 ZINC001480383000 1062764064 /nfs/dbraw/zinc/76/40/64/1062764064.db2.gz NRWBNHQADIWTJN-FUHWJXTLSA-N 0 3 313.445 2.173 20 30 DEEDHN CCc1ccc(C(=O)N(C)C[C@H](C)NCC#CCOC)s1 ZINC001507098122 1062825554 /nfs/dbraw/zinc/82/55/54/1062825554.db2.gz LNSRMRPRYUJIJP-ZDUSSCGKSA-N 0 3 308.447 2.010 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(CC)CC)C1 ZINC001329124884 1148867078 /nfs/dbraw/zinc/86/70/78/1148867078.db2.gz GQVOYUYWPSUBJJ-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C(Cl)CN[C@H](C)CN(C)C(=O)CN(C)Cc1ccccc1 ZINC001507162230 1062937215 /nfs/dbraw/zinc/93/72/15/1062937215.db2.gz FJIBLGLUFWXWSF-OAHLLOKOSA-N 0 3 323.868 2.307 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(F)c(Cl)c1F ZINC001480530006 1062991914 /nfs/dbraw/zinc/99/19/14/1062991914.db2.gz AGXXMMZARRMEPP-VIFPVBQESA-N 0 3 300.736 2.349 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)NCc1cc(C)ccc1C ZINC001507235575 1062985647 /nfs/dbraw/zinc/98/56/47/1062985647.db2.gz 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C#CCNCCN(Cc1ccccc1)C(=O)c1cnn(C(C)C)c1 ZINC001569870945 1065781635 /nfs/dbraw/zinc/78/16/35/1065781635.db2.gz PHRWVQQNUMXSNI-UHFFFAOYSA-N 0 3 324.428 2.329 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)Cc2ccon2)cc1 ZINC001570030737 1065894207 /nfs/dbraw/zinc/89/42/07/1065894207.db2.gz ZZAHIPXJGBUMFO-AWEZNQCLSA-N 0 3 311.385 2.207 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)co1 ZINC001570039115 1065898737 /nfs/dbraw/zinc/89/87/37/1065898737.db2.gz FKZRAJAJHVVOCK-WKILWMFISA-N 0 3 315.417 2.161 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNCC(=O)NC(C)C ZINC001570089627 1065920403 /nfs/dbraw/zinc/92/04/03/1065920403.db2.gz CAMRGJARVCZUGI-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](CC(C)C)n2ccnc2)CCC1 ZINC001570108210 1065926638 /nfs/dbraw/zinc/92/66/38/1065926638.db2.gz NXEOCFKUEJTEDV-MRXNPFEDSA-N 0 3 316.449 2.122 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2c(C)cc(C)cc2C)CCO1 ZINC001570161207 1065945689 /nfs/dbraw/zinc/94/56/89/1065945689.db2.gz 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/nfs/dbraw/zinc/99/80/85/1065998085.db2.gz QWJGIWXPZCYKMP-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001570430292 1066060040 /nfs/dbraw/zinc/06/00/40/1066060040.db2.gz BFMPOSQWBLSCKX-WBVHZDCISA-N 0 3 317.433 2.062 20 30 DEEDHN Cc1ccncc1CN1CC[C@H](NC(=O)C#CC2CC2)C[C@@H]1C ZINC001570434636 1066065699 /nfs/dbraw/zinc/06/56/99/1066065699.db2.gz MSCPEIYPVNVRSS-YJBOKZPZSA-N 0 3 311.429 2.273 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CN(C)c2ccccc2)C[C@@H]1C ZINC001570450028 1066076820 /nfs/dbraw/zinc/07/68/20/1066076820.db2.gz YLKDNVMVACSRFI-DLBZAZTESA-N 0 3 313.445 2.115 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001570497817 1066095530 /nfs/dbraw/zinc/09/55/30/1066095530.db2.gz UMROYTBSDWRYGV-WBVHZDCISA-N 0 3 308.466 2.188 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cccnc1 ZINC001570519276 1066103119 /nfs/dbraw/zinc/10/31/19/1066103119.db2.gz HZPFRWXOQWJFEV-UYAOXDASSA-N 0 3 319.408 2.019 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)CCc1ccns1 ZINC001570527543 1066105816 /nfs/dbraw/zinc/10/58/16/1066105816.db2.gz HXTCSQXZGHASQU-HNNXBMFYSA-N 0 3 319.474 2.412 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001570526561 1066106355 /nfs/dbraw/zinc/10/63/55/1066106355.db2.gz VUUWMBIRWIYXKK-REZBVGGZSA-N 0 3 306.450 2.468 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)CCC1CCCCC1 ZINC001497735888 1066274043 /nfs/dbraw/zinc/27/40/43/1066274043.db2.gz GNGAYAVMVVSXID-WAYWQWQTSA-N 0 3 306.450 2.259 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001497759472 1066290734 /nfs/dbraw/zinc/29/07/34/1066290734.db2.gz ZRUOSNSFUCESLB-XVWMLYKFSA-N 0 3 302.393 2.290 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](OCC)c1ccccc1 ZINC001497762686 1066293822 /nfs/dbraw/zinc/29/38/22/1066293822.db2.gz ABGKIQHNBXNVNI-OAGJVSPASA-N 0 3 300.402 2.050 20 30 DEEDHN CC(C)[C@@H]1N(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC12CC=CC2 ZINC001575519300 1066328478 /nfs/dbraw/zinc/32/84/78/1066328478.db2.gz BBZNLRWVDPCGCG-IOSXPMGOSA-N 0 3 313.445 2.329 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001497808021 1066333863 /nfs/dbraw/zinc/33/38/63/1066333863.db2.gz KKZSCAHPRYUWIJ-KGLIPLIRSA-N 0 3 322.449 2.413 20 30 DEEDHN CCc1ccc([C@H](C)C(=O)N[C@H](C)CNCC#CCOC)cc1 ZINC001497943911 1066424470 /nfs/dbraw/zinc/42/44/70/1066424470.db2.gz VRADCXRMFYOLJJ-CVEARBPZSA-N 0 3 316.445 2.097 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CN(C)C[C@@H](O)c1ccc(F)cc1 ZINC001498267395 1066606140 /nfs/dbraw/zinc/60/61/40/1066606140.db2.gz XVICSPPQNNHIGI-WMLDXEAASA-N 0 3 320.408 2.099 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CN(C)C[C@H](O)c1ccc(F)cc1 ZINC001498267397 1066606271 /nfs/dbraw/zinc/60/62/71/1066606271.db2.gz XVICSPPQNNHIGI-YOEHRIQHSA-N 0 3 320.408 2.099 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001498398415 1066681028 /nfs/dbraw/zinc/68/10/28/1066681028.db2.gz FUTUOFAGSYJWOQ-VNQPRFMTSA-N 0 3 302.418 2.421 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001498449405 1066714267 /nfs/dbraw/zinc/71/42/67/1066714267.db2.gz FKZJCBPXKVDRRB-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1scnc1Cl ZINC001498454182 1066716139 /nfs/dbraw/zinc/71/61/39/1066716139.db2.gz AUTQOLUOTODMIG-JTQLQIEISA-N 0 3 317.842 2.049 20 30 DEEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC001576907903 1066720006 /nfs/dbraw/zinc/72/00/06/1066720006.db2.gz MVCUTNYOYQMVJW-RISCZKNCSA-N 0 3 319.430 2.145 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1occ2c1CCOC2 ZINC001498586081 1066788267 /nfs/dbraw/zinc/78/82/67/1066788267.db2.gz LEBFGOHXNOZGTA-UHFFFAOYSA-N 0 3 312.797 2.157 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCCNCc1cc2n(n1)CCC2 ZINC001498618768 1066807458 /nfs/dbraw/zinc/80/74/58/1066807458.db2.gz IVVQLFOKUHQBLE-UHFFFAOYSA-N 0 3 318.465 2.370 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2cccnn21 ZINC001498622184 1066808981 /nfs/dbraw/zinc/80/89/81/1066808981.db2.gz POEYLXCRKUSZBB-UHFFFAOYSA-N 0 3 306.797 2.139 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001498807003 1066902799 /nfs/dbraw/zinc/90/27/99/1066902799.db2.gz ZMMDLUNYZDVREW-XNJJOIOASA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001499058996 1067062236 /nfs/dbraw/zinc/06/22/36/1067062236.db2.gz WVMAJDJDKJEMIK-INIZCTEOSA-N 0 3 312.417 2.413 20 30 DEEDHN CN(C)c1nccc2cc(NC(=O)[C@@H](N)CCCC#N)ccc21 ZINC001578429599 1067100485 /nfs/dbraw/zinc/10/04/85/1067100485.db2.gz CMBMDNNRECIDQQ-HNNXBMFYSA-N 0 3 311.389 2.260 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001499137503 1067114026 /nfs/dbraw/zinc/11/40/26/1067114026.db2.gz IDKGQJXJDMHXAY-DLBZAZTESA-N 0 3 314.429 2.455 20 30 DEEDHN CN1CCN(C(=O)[C@H](N)CCCCC#N)c2cc(F)ccc21 ZINC001578530728 1067127056 /nfs/dbraw/zinc/12/70/56/1067127056.db2.gz NERXKKRRNBIVDP-CYBMUJFWSA-N 0 3 304.369 2.020 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCCOc1ccccc1F ZINC001266995926 1078487755 /nfs/dbraw/zinc/48/77/55/1078487755.db2.gz XERLOJKTLGKCJS-CQSZACIVSA-N 0 3 306.381 2.102 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@H](CCC)OCC)C2)CC1 ZINC001499581826 1067268068 /nfs/dbraw/zinc/26/80/68/1067268068.db2.gz FUMRFXPUACMWTB-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)C3(CCOC)CC3)C2)CC1 ZINC001499582465 1067268132 /nfs/dbraw/zinc/26/81/32/1067268132.db2.gz RRGPLRTXGJYWKE-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001267018988 1078506290 /nfs/dbraw/zinc/50/62/90/1078506290.db2.gz WHXZUDONMRQACR-ZBFHGGJFSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(F)c(F)c(F)c1F ZINC001483408661 1078515175 /nfs/dbraw/zinc/51/51/75/1078515175.db2.gz KMNSCDQCXOBYJZ-QMMMGPOBSA-N 0 3 304.287 2.479 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc(C(F)(F)F)n1 ZINC001483399893 1078507351 /nfs/dbraw/zinc/50/73/51/1078507351.db2.gz XFZSCSDJMLVUPJ-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1[N+](=O)[O-] ZINC001579405615 1067330343 /nfs/dbraw/zinc/33/03/43/1067330343.db2.gz CTIWYSBOQDLKNJ-DGCLKSJQSA-N 0 3 304.350 2.183 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC001580049539 1067481723 /nfs/dbraw/zinc/48/17/23/1067481723.db2.gz VBENCAPMANNNEO-SSDOTTSWSA-N 0 3 309.782 2.304 20 30 DEEDHN N#CCc1ccnc(NC(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC001580055117 1067484067 /nfs/dbraw/zinc/48/40/67/1067484067.db2.gz GEWPMEMWESGKBA-MRXNPFEDSA-N 0 3 321.384 2.156 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC001580057152 1067485033 /nfs/dbraw/zinc/48/50/33/1067485033.db2.gz NAPRJBCACXFQFQ-QGZVFWFLSA-N 0 3 309.344 2.314 20 30 DEEDHN N#Cc1cc(NC[C@H]2CCCN(C(=O)CN)C2)ccc1C1CC1 ZINC001580062819 1067486961 /nfs/dbraw/zinc/48/69/61/1067486961.db2.gz QLHFVKAVKIDAKD-CYBMUJFWSA-N 0 3 312.417 2.045 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](NCc3cccc(N)c3)C2=O)cc1 ZINC001580066826 1067487849 /nfs/dbraw/zinc/48/78/49/1067487849.db2.gz WJHZPFUXQCDFEZ-SFHVURJKSA-N 0 3 320.396 2.031 20 30 DEEDHN N#Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)c1 ZINC001580077999 1067491802 /nfs/dbraw/zinc/49/18/02/1067491802.db2.gz HOCMRHVVJMTKLF-HNNXBMFYSA-N 0 3 320.352 2.023 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1nnc(C)[nH]1 ZINC001483440401 1078532908 /nfs/dbraw/zinc/53/29/08/1078532908.db2.gz FKFJDGOQFWWBLE-HUUCEWRRSA-N 0 3 319.453 2.234 20 30 DEEDHN CN(C)CCONC(=O)c1ccccc1-c1ccccc1C#N ZINC001637992265 1078543121 /nfs/dbraw/zinc/54/31/21/1078543121.db2.gz CNZHIDOMRRDJDA-UHFFFAOYSA-N 0 3 309.369 2.448 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1[nH]c(C)cc1C ZINC001570535184 1067991403 /nfs/dbraw/zinc/99/14/03/1067991403.db2.gz YRZZIWQVEBEODC-MRXNPFEDSA-N 0 3 319.449 2.371 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001570544944 1067996996 /nfs/dbraw/zinc/99/69/96/1067996996.db2.gz HVOICMMHTGPDCJ-XJKSGUPXSA-N 0 3 318.465 2.314 20 30 DEEDHN CCc1cc(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)[nH]n1 ZINC001570590262 1068023939 /nfs/dbraw/zinc/02/39/39/1068023939.db2.gz NVKYZHZRROPJSU-HUUCEWRRSA-N 0 3 324.428 2.120 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001570591692 1068025497 /nfs/dbraw/zinc/02/54/97/1068025497.db2.gz AVXIPWDSNKAXPD-KGLIPLIRSA-N 0 3 308.397 2.320 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1coc(C(C)(C)C)n1 ZINC001570710511 1068085044 /nfs/dbraw/zinc/08/50/44/1068085044.db2.gz JLBLUZBHAHKXJA-CYBMUJFWSA-N 0 3 323.437 2.225 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)CCc1cccc(OC)c1F ZINC001570714544 1068089089 /nfs/dbraw/zinc/08/90/89/1068089089.db2.gz QRGJQJQCLWAVEN-ZDUSSCGKSA-N 0 3 308.397 2.389 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCc1nccs1 ZINC001570828809 1068132061 /nfs/dbraw/zinc/13/20/61/1068132061.db2.gz UEPUVYWXLKWVGW-CQSZACIVSA-N 0 3 305.447 2.070 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)C(C)(C)C1 ZINC001570905593 1068155244 /nfs/dbraw/zinc/15/52/44/1068155244.db2.gz WNTHVWCMUCHGDP-LLVKDONJSA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001570841527 1068135917 /nfs/dbraw/zinc/13/59/17/1068135917.db2.gz 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/nfs/dbraw/zinc/29/08/91/1068290891.db2.gz QXOPSVYWQWDBJU-OAHLLOKOSA-N 0 3 310.463 2.288 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)N[C@@H]1CCc2c1cccc2F ZINC001571437565 1068293067 /nfs/dbraw/zinc/29/30/67/1068293067.db2.gz VZRAEIVVUAIYET-BLLLJJGKSA-N 0 3 320.408 2.092 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)c1ccccc1-c1ccccc1 ZINC001571446925 1068295437 /nfs/dbraw/zinc/29/54/37/1068295437.db2.gz PVCVGDGCXOKIMA-INIZCTEOSA-N 0 3 310.397 2.220 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1noc2c1CC(C)(C)CC2 ZINC001267246548 1078694599 /nfs/dbraw/zinc/69/45/99/1078694599.db2.gz DKNPJBADPNIZOH-UHFFFAOYSA-N 0 3 305.422 2.427 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2ccccn2)[C@@H]1C ZINC001571454483 1068299824 /nfs/dbraw/zinc/29/98/24/1068299824.db2.gz VUYOBPZWDQZGRP-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC001267241413 1078691679 /nfs/dbraw/zinc/69/16/79/1078691679.db2.gz WXTHTUMQROTALL-GJZGRUSLSA-N 0 3 320.408 2.363 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(CC)Cc1cc(F)ccc1C ZINC001267240960 1078691945 /nfs/dbraw/zinc/69/19/45/1078691945.db2.gz FUAIAHFJIMEIPY-OAHLLOKOSA-N 0 3 320.408 2.111 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001571480839 1068334506 /nfs/dbraw/zinc/33/45/06/1068334506.db2.gz IJQXBGVVKYBHQV-GOEBONIOSA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OCC)cc2)C1 ZINC001571492124 1068347330 /nfs/dbraw/zinc/34/73/30/1068347330.db2.gz ZYCUCJVQAFCHLT-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2cnc(C)s2)C[C@@H]1C ZINC001571492775 1068349192 /nfs/dbraw/zinc/34/91/92/1068349192.db2.gz IUWBOJFHSQLRJR-JSGCOSHPSA-N 0 3 323.462 2.123 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2CCC[C@H](NCc3ccon3)[C@@H]2C1 ZINC001571508157 1068368072 /nfs/dbraw/zinc/36/80/72/1068368072.db2.gz BDDIAYLWWJJEKL-UAGQMJEPSA-N 0 3 315.417 2.195 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC001571517462 1068379180 /nfs/dbraw/zinc/37/91/80/1068379180.db2.gz SKVWSQALBAYVBQ-HZPDHXFCSA-N 0 3 319.449 2.119 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001571542032 1068408988 /nfs/dbraw/zinc/40/89/88/1068408988.db2.gz JHJJOKNEGVAKPH-CABCVRRESA-N 0 3 318.465 2.315 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC001571558257 1068419108 /nfs/dbraw/zinc/41/91/08/1068419108.db2.gz FYEDTMDTKLHLSD-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H](NCCF)C(C)(C)C1)OCC ZINC001571558926 1068420270 /nfs/dbraw/zinc/42/02/70/1068420270.db2.gz UHCZGJMRWBEPME-KBPBESRZSA-N 0 3 300.418 2.154 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001571645838 1068457198 /nfs/dbraw/zinc/45/71/98/1068457198.db2.gz VYQHPSQZGDDXTF-KBAYOESNSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001267278726 1078725468 /nfs/dbraw/zinc/72/54/68/1078725468.db2.gz OYNYGYMOBWEBFL-WFASDCNBSA-N 0 3 304.438 2.287 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001267295972 1078743969 /nfs/dbraw/zinc/74/39/69/1078743969.db2.gz DYLXISQOUVMPTE-CWDCEQMOSA-N 0 3 300.377 2.300 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001571857244 1068556026 /nfs/dbraw/zinc/55/60/26/1068556026.db2.gz USQVBZGGBGSLSS-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C(C)(C)C)on1 ZINC001267314179 1078757740 /nfs/dbraw/zinc/75/77/40/1078757740.db2.gz CHKDYKHZIHYJLS-UHFFFAOYSA-N 0 3 305.422 2.437 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@H](C)n1ccc(C)n1 ZINC001483670043 1078768917 /nfs/dbraw/zinc/76/89/17/1078768917.db2.gz IUGFIYWHFOCXBN-HOTGVXAUSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001149169041 1078764823 /nfs/dbraw/zinc/76/48/23/1078764823.db2.gz YMHMHBCMVZKSSQ-OAHLLOKOSA-N 0 3 318.417 2.179 20 30 DEEDHN C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001149169041 1078764825 /nfs/dbraw/zinc/76/48/25/1078764825.db2.gz YMHMHBCMVZKSSQ-OAHLLOKOSA-N 0 3 318.417 2.179 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001483672680 1078771015 /nfs/dbraw/zinc/77/10/15/1078771015.db2.gz WOMAOYZEGHZJTM-IRXDYDNUSA-N 0 3 307.482 2.408 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc2nccnc21)C1CC1 ZINC001267334934 1078772984 /nfs/dbraw/zinc/77/29/84/1078772984.db2.gz IPSVBFABKBOUAP-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001483681376 1078783653 /nfs/dbraw/zinc/78/36/53/1078783653.db2.gz HMGATKXXLPARAQ-OCCSQVGLSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ccnn1CCC)c1ccccc1 ZINC001267361609 1078793266 /nfs/dbraw/zinc/79/32/66/1078793266.db2.gz DHLDFXGWXGSJAY-QGZVFWFLSA-N 0 3 324.428 2.377 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001267366917 1078797520 /nfs/dbraw/zinc/79/75/20/1078797520.db2.gz NPTIRNFLNKGSSU-QGZVFWFLSA-N 0 3 308.397 2.009 20 30 DEEDHN CCn1c(N2CCN(C(C)(C)CC)CC2)nnc1C(C)(C)C#N ZINC001650294792 1079506466 /nfs/dbraw/zinc/50/64/66/1079506466.db2.gz SRCDNVLNFZZQGO-UHFFFAOYSA-N 0 3 318.469 2.410 20 30 DEEDHN CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2OC)[C@@H](CC)CN1 ZINC001573716409 1069077351 /nfs/dbraw/zinc/07/73/51/1069077351.db2.gz AJNRJXMBQBZPFZ-KGLIPLIRSA-N 0 3 301.390 2.169 20 30 DEEDHN CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)[C@@H](CC)CN1 ZINC001573719295 1069079367 /nfs/dbraw/zinc/07/93/67/1069079367.db2.gz OBAVHLJKAKLRHE-CVEARBPZSA-N 0 3 315.417 2.120 20 30 DEEDHN Cc1ccc(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)n1C ZINC001483715283 1078852253 /nfs/dbraw/zinc/85/22/53/1078852253.db2.gz LXSRXAVXBWXPJJ-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCOc1cc(C)ccc1C ZINC001267464374 1078875769 /nfs/dbraw/zinc/87/57/69/1078875769.db2.gz QLGPGXHLEHXQHU-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN CCc1ocnc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483722362 1078874447 /nfs/dbraw/zinc/87/44/47/1078874447.db2.gz IVFIBKZSRYUCKV-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC001521446753 1069242365 /nfs/dbraw/zinc/24/23/65/1069242365.db2.gz SEQLOQJNERDAQF-ZBFHGGJFSA-N 0 3 301.434 2.237 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](COC)Cc1ccccc1 ZINC001521674852 1069261555 /nfs/dbraw/zinc/26/15/55/1069261555.db2.gz WXFQYYXOIHXEAW-IRXDYDNUSA-N 0 3 304.434 2.386 20 30 DEEDHN C#CCCCCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483727945 1078889359 /nfs/dbraw/zinc/88/93/59/1078889359.db2.gz FFHSLINNKGBBCU-UHFFFAOYSA-N 0 3 309.413 2.490 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2ccc(OC)cc2)CC1 ZINC001483730303 1078896327 /nfs/dbraw/zinc/89/63/27/1078896327.db2.gz IWTVXHACPVMOLQ-UHFFFAOYSA-N 0 3 300.402 2.237 20 30 DEEDHN COc1cccc(CNC2(CNC(=O)C#CC(C)C)CC2)c1 ZINC001483731828 1078900926 /nfs/dbraw/zinc/90/09/26/1078900926.db2.gz ADQCVTPTHLJVFF-UHFFFAOYSA-N 0 3 300.402 2.093 20 30 DEEDHN O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001543282656 1072487190 /nfs/dbraw/zinc/48/71/90/1072487190.db2.gz FEZLWQYGCXYKLN-WHWKNOJMSA-N 0 3 316.376 2.009 20 30 DEEDHN O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001543282654 1072487610 /nfs/dbraw/zinc/48/76/10/1072487610.db2.gz FEZLWQYGCXYKLN-SBSDFTTDSA-N 0 3 316.376 2.009 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](O)CNCc1cc(C)ccc1F ZINC001272495434 1078925795 /nfs/dbraw/zinc/92/57/95/1078925795.db2.gz DINSYJVVFSFSPQ-OAHLLOKOSA-N 0 3 322.424 2.303 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC001267520766 1078950120 /nfs/dbraw/zinc/95/01/20/1078950120.db2.gz NTFQBDMVCDSEFZ-IRXDYDNUSA-N 0 3 324.428 2.079 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cncc(C#C)c1)c1ccccc1 ZINC001267523134 1078953017 /nfs/dbraw/zinc/95/30/17/1078953017.db2.gz PLDYJRUGFKGLRQ-IBGZPJMESA-N 0 3 317.392 2.147 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cc(C)[nH]n1)CC2 ZINC001272542939 1078954817 /nfs/dbraw/zinc/95/48/17/1078954817.db2.gz GPRVIRFSZJQMBI-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3cc(C)n[nH]3)CC2)C1=O ZINC001272543069 1078956472 /nfs/dbraw/zinc/95/64/72/1078956472.db2.gz DYCJQKINPJEAGW-GOSISDBHSA-N 0 3 316.449 2.499 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C/CC ZINC001267529116 1078961493 /nfs/dbraw/zinc/96/14/93/1078961493.db2.gz HKHGDEUCNSKELN-RGNRXDFWSA-N 0 3 306.450 2.345 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cccc3ccncc32)C1=O ZINC001272628216 1079021063 /nfs/dbraw/zinc/02/10/63/1079021063.db2.gz DZAIJQBVUUDPRS-HXUWFJFHSA-N 0 3 319.408 2.435 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC)cc1[O-] ZINC001272625059 1079019769 /nfs/dbraw/zinc/01/97/69/1079019769.db2.gz GFCCARMIHZOUBK-HZPDHXFCSA-N 0 3 316.401 2.152 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1[O-] ZINC001272625059 1079019777 /nfs/dbraw/zinc/01/97/77/1079019777.db2.gz GFCCARMIHZOUBK-HZPDHXFCSA-N 0 3 316.401 2.152 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H](C)C2CCCCC2)CC1 ZINC001483775005 1079111458 /nfs/dbraw/zinc/11/14/58/1079111458.db2.gz FRLZZVRTNHTSAV-INIZCTEOSA-N 0 3 320.477 2.481 20 30 DEEDHN CCc1cc(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)no1 ZINC001483783674 1079119625 /nfs/dbraw/zinc/11/96/25/1079119625.db2.gz INQFGPVPTXGASU-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cn1nc(C)cc1C)c1ccccc1 ZINC001649439725 1079119695 /nfs/dbraw/zinc/11/96/95/1079119695.db2.gz GLMVRCBADBXTAW-KRWDZBQOSA-N 0 3 312.417 2.133 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001481059983 1079139385 /nfs/dbraw/zinc/13/93/85/1079139385.db2.gz XDXCCFXOYZKPNM-BZUAXINKSA-N 0 3 318.417 2.166 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001481068226 1079148417 /nfs/dbraw/zinc/14/84/17/1079148417.db2.gz IZYIGGONFNTDHP-INIZCTEOSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001481103184 1079186245 /nfs/dbraw/zinc/18/62/45/1079186245.db2.gz FDSMWVUEOWRQRG-QRVBRYPASA-N 0 3 310.441 2.327 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001483931860 1079194039 /nfs/dbraw/zinc/19/40/39/1079194039.db2.gz ZVBKYFQZNLVGGB-MRXNPFEDSA-N 0 3 304.438 2.165 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001481113851 1079197033 /nfs/dbraw/zinc/19/70/33/1079197033.db2.gz ANWDWRUQSLTFOL-GFCCVEGCSA-N 0 3 310.850 2.405 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001483977600 1079222558 /nfs/dbraw/zinc/22/25/58/1079222558.db2.gz YHQAIRVVELQYAF-FYCOFBDGSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C[C@](C)(O)CNCc1cc(Br)ccc1OC ZINC001252578029 1093588246 /nfs/dbraw/zinc/58/82/46/1093588246.db2.gz PNTLHWXJTFIMGI-ZDUSSCGKSA-N 0 3 300.196 2.484 20 30 DEEDHN C#CCN(C(=O)CCC1CCOCC1)C1CCN(CC=C)CC1 ZINC001483988039 1079228181 /nfs/dbraw/zinc/22/81/81/1079228181.db2.gz NFBVJSLUJMRHAL-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cccc(N(C)C)c1 ZINC001481152343 1079260945 /nfs/dbraw/zinc/26/09/45/1079260945.db2.gz NHCYRFMXKVNKPK-UHFFFAOYSA-N 0 3 301.434 2.218 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001267617911 1079267858 /nfs/dbraw/zinc/26/78/58/1079267858.db2.gz HVYDYHVQXSNUIL-SJORKVTESA-N 0 3 309.498 2.321 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2ccccc2OC)C1 ZINC001484069184 1079290484 /nfs/dbraw/zinc/29/04/84/1079290484.db2.gz GRPYTHMLUSPROY-GOSISDBHSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cn2cc(C)ccc2n1)C1CC1 ZINC001481173314 1079291242 /nfs/dbraw/zinc/29/12/42/1079291242.db2.gz HVSKNFQZALRAGJ-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1cccc(C#N)c1 ZINC001646785106 1074617555 /nfs/dbraw/zinc/61/75/55/1074617555.db2.gz REZOWTYXDOPTSV-FZMZJTMJSA-N 0 3 309.373 2.039 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001267633558 1079318505 /nfs/dbraw/zinc/31/85/05/1079318505.db2.gz DDJVGVNMYABPEK-ZWKOTPCHSA-N 0 3 315.461 2.446 20 30 DEEDHN CCn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)CC#N ZINC001647707982 1074975448 /nfs/dbraw/zinc/97/54/48/1074975448.db2.gz UKPJXGHIWYKDIB-KGLIPLIRSA-N 0 3 318.469 2.408 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2[nH]c(=O)oc21 ZINC001556466685 1075032594 /nfs/dbraw/zinc/03/25/94/1075032594.db2.gz IQKWTQUDSNGNIQ-UHFFFAOYSA-N 0 3 303.362 2.113 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)[C@@H](CCCC)C(N)=O)C1 ZINC001267669757 1079357236 /nfs/dbraw/zinc/35/72/36/1079357236.db2.gz IVZNRWQLJXVBHX-GJZGRUSLSA-N 0 3 323.481 2.023 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001567934986 1075129579 /nfs/dbraw/zinc/12/95/79/1075129579.db2.gz AVNDYTZLUWTCOL-OAHLLOKOSA-N 0 3 319.449 2.316 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001565849847 1075196778 /nfs/dbraw/zinc/19/67/78/1075196778.db2.gz QMMAEOFOENMIMA-OAGGEKHMSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC(C)=C(C)C)n1 ZINC001565991724 1075212959 /nfs/dbraw/zinc/21/29/59/1075212959.db2.gz SCGRQOGPRBZZBW-UHFFFAOYSA-N 0 3 318.421 2.211 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ncccc2C)[C@H]1CC ZINC001566009564 1075215638 /nfs/dbraw/zinc/21/56/38/1075215638.db2.gz PLHCPHYZYYWYMK-JKSUJKDBSA-N 0 3 317.433 2.175 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1CCOCC(C)C ZINC001566012098 1075216169 /nfs/dbraw/zinc/21/61/69/1075216169.db2.gz NYROWSOYVDMYPZ-DLBZAZTESA-N 0 3 306.450 2.042 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001566127658 1075233765 /nfs/dbraw/zinc/23/37/65/1075233765.db2.gz DQHYJULMTRHXPS-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCCCN(C)C[C@@H](F)CC ZINC001566512141 1075266575 /nfs/dbraw/zinc/26/65/75/1075266575.db2.gz HEXFVEJAYBFJOA-KRWDZBQOSA-N 0 3 304.409 2.397 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc2cnccc2n1)C1CC1 ZINC001566598684 1075293052 /nfs/dbraw/zinc/29/30/52/1075293052.db2.gz NOQRIMGBMDTXJY-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(CCCCCF)C1 ZINC001566628887 1075300829 /nfs/dbraw/zinc/30/08/29/1075300829.db2.gz JTGVZTFWZHSXJI-XHSDSOJGSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1Cl ZINC001267713181 1079400687 /nfs/dbraw/zinc/40/06/87/1079400687.db2.gz DGCXXDCRWAXNGI-AVGNSLFASA-N 0 3 322.840 2.327 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001567194868 1075459847 /nfs/dbraw/zinc/45/98/47/1075459847.db2.gz DPDNMSQDJZVZJJ-MRXNPFEDSA-N 0 3 324.428 2.133 20 30 DEEDHN C=CCCC(=O)NCCC[C@@H]1CCCN1CC(=O)NC(C)(C)C ZINC001567248195 1075474659 /nfs/dbraw/zinc/47/46/59/1075474659.db2.gz VVSXVPUFURDCHM-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1CC(=O)NC(C)C ZINC001567256512 1075476393 /nfs/dbraw/zinc/47/63/93/1075476393.db2.gz GUSGZGJXYYFOIL-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001267735315 1079426963 /nfs/dbraw/zinc/42/69/63/1079426963.db2.gz SINPQUBVAMXECQ-PBHICJAKSA-N 0 3 302.393 2.218 20 30 DEEDHN CN(CCNCc1cc2ccccc2o1)C(=O)c1c[nH]c(C#N)c1 ZINC001481222241 1079432567 /nfs/dbraw/zinc/43/25/67/1079432567.db2.gz NZOAXFUAVNGKRP-UHFFFAOYSA-N 0 3 322.368 2.494 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H](N(C)C(=O)c2snnc2C)C1 ZINC001267757897 1079459043 /nfs/dbraw/zinc/45/90/43/1079459043.db2.gz ZWXCXCQCBOIXJT-YPMHNXCESA-N 0 3 308.451 2.348 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)CCC1 ZINC001267771600 1079478764 /nfs/dbraw/zinc/47/87/64/1079478764.db2.gz JTBONSIKATYTPY-MRXNPFEDSA-N 0 3 316.449 2.162 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N(CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001581112386 1076042946 /nfs/dbraw/zinc/04/29/46/1076042946.db2.gz FPLPGZSGWHFJAG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CN(C)C[C@@H]1CCCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001584797684 1076320936 /nfs/dbraw/zinc/32/09/36/1076320936.db2.gz MISVTQXUVNZQFP-CLOOOTJHSA-N 0 3 318.392 2.351 20 30 DEEDHN C=CCC[C@H](O)C[NH2+]C(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579527 1076455532 /nfs/dbraw/zinc/45/55/32/1076455532.db2.gz NUENDJFIBSPIRD-AWEZNQCLSA-N 0 3 301.394 2.019 20 30 DEEDHN C=CCC[C@H](O)C[NH2+]C(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579527 1076455537 /nfs/dbraw/zinc/45/55/37/1076455537.db2.gz NUENDJFIBSPIRD-AWEZNQCLSA-N 0 3 301.394 2.019 20 30 DEEDHN C=C(C)C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)OCC ZINC001589370748 1076487297 /nfs/dbraw/zinc/48/72/97/1076487297.db2.gz FBDRYLWEXCKJDF-CABCVRRESA-N 0 3 310.438 2.265 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001329462102 1148897724 /nfs/dbraw/zinc/89/77/24/1148897724.db2.gz XCZQJIMGUHYQAM-QWHCGFSZSA-N 0 3 304.381 2.061 20 30 DEEDHN C[C@H](CCC#N)[N@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001609110037 1077764134 /nfs/dbraw/zinc/76/41/34/1077764134.db2.gz IABMUJJNXCPYGR-CYBMUJFWSA-N 0 3 314.393 2.007 20 30 DEEDHN C[C@H](CCC#N)[N@@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001609110037 1077764140 /nfs/dbraw/zinc/76/41/40/1077764140.db2.gz IABMUJJNXCPYGR-CYBMUJFWSA-N 0 3 314.393 2.007 20 30 DEEDHN C=C[C@@H](C(=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001609264183 1077820129 /nfs/dbraw/zinc/82/01/29/1077820129.db2.gz GCPZEJKKOKVWRK-WMZOPIPTSA-N 0 3 300.402 2.224 20 30 DEEDHN C=C[C@@H](C(=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001609264183 1077820134 /nfs/dbraw/zinc/82/01/34/1077820134.db2.gz GCPZEJKKOKVWRK-WMZOPIPTSA-N 0 3 300.402 2.224 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(CNC(=O)CC)cc1 ZINC001272682378 1079581180 /nfs/dbraw/zinc/58/11/80/1079581180.db2.gz JZTFSGWSQJXTRX-ZIAGYGMSSA-N 0 3 317.433 2.054 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001484448973 1079619102 /nfs/dbraw/zinc/61/91/02/1079619102.db2.gz BJNOWZCNGMXFSG-VQIMIIECSA-N 0 3 320.477 2.169 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C2(CCOC)CC2)cc1 ZINC001267938527 1079619787 /nfs/dbraw/zinc/61/97/87/1079619787.db2.gz ZNSUGCROKMRLHN-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CN(C)c2ccccc2)cc1 ZINC001267940753 1079621323 /nfs/dbraw/zinc/62/13/23/1079621323.db2.gz NJBYGZURDYTBIX-UHFFFAOYSA-N 0 3 321.424 2.162 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001484555872 1079661459 /nfs/dbraw/zinc/66/14/59/1079661459.db2.gz BHNRQLURUBRLGZ-YOEHRIQHSA-N 0 3 302.418 2.346 20 30 DEEDHN CC(C)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC001484623459 1079693334 /nfs/dbraw/zinc/69/33/34/1079693334.db2.gz LQEVPJRKDHYWQC-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CCCc2cccnc2)CC1 ZINC001484724857 1079747985 /nfs/dbraw/zinc/74/79/85/1079747985.db2.gz VIPUGLKSYJXFEK-SFHVURJKSA-N 0 3 313.445 2.398 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001484726491 1079749335 /nfs/dbraw/zinc/74/93/35/1079749335.db2.gz MWKNMFRBRLNDJD-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](CC)c2c(C)noc2C)CC1 ZINC001484726629 1079749409 /nfs/dbraw/zinc/74/94/09/1079749409.db2.gz QKWAESKQIKCWKS-HOTGVXAUSA-N 0 3 317.433 2.389 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1cnn2cc[nH]c12)c1ccccc1 ZINC001481371278 1079762683 /nfs/dbraw/zinc/76/26/83/1079762683.db2.gz CACHXPVUTVDBSL-INIZCTEOSA-N 0 3 323.400 2.299 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1coc(OC)n1)c1ccccc1 ZINC001481369427 1079762693 /nfs/dbraw/zinc/76/26/93/1079762693.db2.gz SSFORGGSUNBDAH-AWEZNQCLSA-N 0 3 315.373 2.320 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C)OCC(C)C)C1 ZINC001481392420 1079777150 /nfs/dbraw/zinc/77/71/50/1079777150.db2.gz HUELKJWCGADZFD-SJORKVTESA-N 0 3 308.466 2.384 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)CCCN(C)Cc2ccccn2)c1 ZINC001484757505 1079784325 /nfs/dbraw/zinc/78/43/25/1079784325.db2.gz VWLDFLDVXUZBJQ-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H]1OCc2ccccc21 ZINC001484766500 1079792560 /nfs/dbraw/zinc/79/25/60/1079792560.db2.gz VCBAHQKZWCUZHT-GOSISDBHSA-N 0 3 314.429 2.452 20 30 DEEDHN C=CCN(C)CCN(CC)c1cc(C(F)F)nc2ncnn21 ZINC001651187919 1079793217 /nfs/dbraw/zinc/79/32/17/1079793217.db2.gz YUNBWOYHJKWXTC-UHFFFAOYSA-N 0 3 310.352 2.006 20 30 DEEDHN CC/C=C(\C)C(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001484826234 1079807398 /nfs/dbraw/zinc/80/73/98/1079807398.db2.gz XPEMKIJTPCMYJU-QTQQGTETSA-N 0 3 318.461 2.307 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(COC)CCCC1)C2 ZINC001484827079 1079808597 /nfs/dbraw/zinc/80/85/97/1079808597.db2.gz INADBRBNDBEOIL-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccsc2)CCOCC1 ZINC001484859420 1079827019 /nfs/dbraw/zinc/82/70/19/1079827019.db2.gz VFCQYUBQJJBMTM-UHFFFAOYSA-N 0 3 314.838 2.369 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C[C@@H]1C ZINC001484988549 1079900156 /nfs/dbraw/zinc/90/01/56/1079900156.db2.gz ZNKYFFDUBGYJPO-UWVGGRQHSA-N 0 3 312.282 2.176 20 30 DEEDHN CCCC(=O)N1CCC2(CCN(CC#CCOC)CC2)CC1 ZINC001485010700 1079916652 /nfs/dbraw/zinc/91/66/52/1079916652.db2.gz RDKYIPPPIGCCDM-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccoc1C ZINC001485047103 1079936953 /nfs/dbraw/zinc/93/69/53/1079936953.db2.gz JRAKMDIZNOCWLB-HNNXBMFYSA-N 0 3 306.406 2.327 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC001485071694 1079956490 /nfs/dbraw/zinc/95/64/90/1079956490.db2.gz VLQYFJLDMITODZ-CQSZACIVSA-N 0 3 300.406 2.076 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@H](CN(C)CCF)C1 ZINC001481506151 1079967255 /nfs/dbraw/zinc/96/72/55/1079967255.db2.gz XTDFIGPBVPEHNK-CQSZACIVSA-N 0 3 321.396 2.010 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001481528186 1080003404 /nfs/dbraw/zinc/00/34/04/1080003404.db2.gz VYXMRZOPYHBZKB-GOSISDBHSA-N 0 3 316.445 2.321 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C(C)(C)C1CCCC1 ZINC001268068158 1080013204 /nfs/dbraw/zinc/01/32/04/1080013204.db2.gz KAYAIVHOYQBFNG-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@@H](C)c1ccccc1C ZINC001268100460 1080073070 /nfs/dbraw/zinc/07/30/70/1080073070.db2.gz WUXSGGBJVHPYPC-SJORKVTESA-N 0 3 316.445 2.185 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H](C)COC)C2)CC1 ZINC001656399317 1080084299 /nfs/dbraw/zinc/08/42/99/1080084299.db2.gz YPXGIRSZBFPTKU-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(C2CC2)n(CC)n1)C1CC1 ZINC001493376043 1080106153 /nfs/dbraw/zinc/10/61/53/1080106153.db2.gz UYJGAMNKYOJYES-UHFFFAOYSA-N 0 3 302.422 2.161 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001485369510 1080172932 /nfs/dbraw/zinc/17/29/32/1080172932.db2.gz WPMDWZSKAXDBQH-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN Cc1conc1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001485368810 1080173908 /nfs/dbraw/zinc/17/39/08/1080173908.db2.gz HGXVVBZFDXTZEC-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001485391647 1080189480 /nfs/dbraw/zinc/18/94/80/1080189480.db2.gz YADUOPDGIVSUFX-LLVKDONJSA-N 0 3 307.369 2.020 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1c(Cl)ncnc1N(C)C ZINC001658466025 1080208238 /nfs/dbraw/zinc/20/82/38/1080208238.db2.gz HZVDPJUDWXMTAN-UHFFFAOYSA-N 0 3 311.861 2.136 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001268243887 1080226143 /nfs/dbraw/zinc/22/61/43/1080226143.db2.gz QPKFTRYUBJRSHW-QGZVFWFLSA-N 0 3 316.445 2.314 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)OCC ZINC001481672057 1080282847 /nfs/dbraw/zinc/28/28/47/1080282847.db2.gz WIPSHDDOHCQKKN-YESZJQIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001481697177 1080309343 /nfs/dbraw/zinc/30/93/43/1080309343.db2.gz IHVSHCOBKACECC-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](c1cccnc1)C(C)C ZINC001660346980 1080314181 /nfs/dbraw/zinc/31/41/81/1080314181.db2.gz ZWQWUODKJFHARV-KRWDZBQOSA-N 0 3 301.434 2.283 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC001481699071 1080316215 /nfs/dbraw/zinc/31/62/15/1080316215.db2.gz FMZPJVTVZFTZPZ-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2nc(C(C)C)no2)C(C)(C)C1 ZINC001485574660 1080318338 /nfs/dbraw/zinc/31/83/38/1080318338.db2.gz WCCAFYZEDVKCLV-ZDUSSCGKSA-N 0 3 320.437 2.138 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@]1(C)CCOc2ccccc21 ZINC001660369243 1080320415 /nfs/dbraw/zinc/32/04/15/1080320415.db2.gz UFOTZEGXUXBZEH-IBGZPJMESA-N 0 3 314.429 2.188 20 30 DEEDHN C=CC1(CC(=O)NC[C@@H](O)CNC/C=C\Cl)CCCCC1 ZINC001268327868 1080329541 /nfs/dbraw/zinc/32/95/41/1080329541.db2.gz KVPGEUUUQTXPCH-PIZKADEWSA-N 0 3 314.857 2.332 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001481705785 1080329893 /nfs/dbraw/zinc/32/98/93/1080329893.db2.gz MNHIWGDZWLZTMJ-UONOGXRCSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccns1 ZINC001660433179 1080332280 /nfs/dbraw/zinc/33/22/80/1080332280.db2.gz SIMBILRDYXAPEW-UKRRQHHQSA-N 0 3 323.462 2.205 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1nc2cnccc2s1)C1CC1 ZINC001493392445 1080345603 /nfs/dbraw/zinc/34/56/03/1080345603.db2.gz QZWBYAMOBQMBFH-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001485680338 1080364114 /nfs/dbraw/zinc/36/41/14/1080364114.db2.gz LPFBMCABJJQYPO-MGPQQGTHSA-N 0 3 300.830 2.040 20 30 DEEDHN Cc1noc(C)c1CNCCC[C@H](C)NC(=O)C#CC1CC1 ZINC001485721863 1080389761 /nfs/dbraw/zinc/38/97/61/1080389761.db2.gz XFMCCTHPOAEEDU-LBPRGKRZSA-N 0 3 303.406 2.079 20 30 DEEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001485725613 1080392807 /nfs/dbraw/zinc/39/28/07/1080392807.db2.gz VHXLLXNDQBYUQM-LLVKDONJSA-N 0 3 314.227 2.411 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCOc2cccc(F)c2)C1 ZINC001481731009 1080399324 /nfs/dbraw/zinc/39/93/24/1080399324.db2.gz XXTLRNVQBGZKRF-OAHLLOKOSA-N 0 3 306.381 2.313 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001660847377 1080408469 /nfs/dbraw/zinc/40/84/69/1080408469.db2.gz GOHUUABCIYQRPM-HOTGVXAUSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001660855969 1080409614 /nfs/dbraw/zinc/40/96/14/1080409614.db2.gz XTSIFJDEUCFSAX-IRXDYDNUSA-N 0 3 316.449 2.055 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001661474161 1080485114 /nfs/dbraw/zinc/48/51/14/1080485114.db2.gz WHCIWMZWZVIDAI-VDHUWJSZSA-N 0 3 314.404 2.460 20 30 DEEDHN O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001661527289 1080490887 /nfs/dbraw/zinc/49/08/87/1080490887.db2.gz 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/nfs/dbraw/zinc/58/64/98/1080586498.db2.gz HTLZJIPGBDBUSC-VIFPVBQESA-N 0 3 302.205 2.063 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC001662512482 1080613651 /nfs/dbraw/zinc/61/36/51/1080613651.db2.gz QRWSMQACROYKIG-INIZCTEOSA-N 0 3 304.821 2.486 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccc(OC)nc2)C1 ZINC001662533628 1080614510 /nfs/dbraw/zinc/61/45/10/1080614510.db2.gz UTIGQZZFIBNELT-HNNXBMFYSA-N 0 3 303.406 2.137 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)N(CC)CCNCC#CCOC)CC1 ZINC001268492925 1080627169 /nfs/dbraw/zinc/62/71/69/1080627169.db2.gz FFXGPFSKZKXWFJ-QAQDUYKDSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2ccn(CC)n2)C1 ZINC001481986621 1080672123 /nfs/dbraw/zinc/67/21/23/1080672123.db2.gz SRWQKPUSGJWFIP-CQSZACIVSA-N 0 3 324.856 2.487 20 30 DEEDHN CC(C)C#CC(=O)NCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC001662913906 1080676528 /nfs/dbraw/zinc/67/65/28/1080676528.db2.gz DEWNGZZKKSMNNC-CYBMUJFWSA-N 0 3 303.406 2.196 20 30 DEEDHN COCC(=O)NCCC[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC001663020013 1080687471 /nfs/dbraw/zinc/68/74/71/1080687471.db2.gz MHGGUUJDEIMDDB-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC001482014410 1080688438 /nfs/dbraw/zinc/68/84/38/1080688438.db2.gz JITNZUXYYXCNNV-SHTZXODSSA-N 0 3 303.406 2.304 20 30 DEEDHN CCc1nc(C)c(CN[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)o1 ZINC001482012652 1080692457 /nfs/dbraw/zinc/69/24/57/1080692457.db2.gz MKFQJEDOQFAKMV-MRVWCRGKSA-N 0 3 318.421 2.222 20 30 DEEDHN C[C@H](C(=O)NC/C=C/CNCc1cccc(C#N)c1)n1cccc1 ZINC001268528121 1080722003 /nfs/dbraw/zinc/72/20/03/1080722003.db2.gz DUIUDSRWAFVUQC-WOMSROEHSA-N 0 3 322.412 2.383 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@@H]3CC3(C)C)CCC[C@@H]12 ZINC001107361667 1080742681 /nfs/dbraw/zinc/74/26/81/1080742681.db2.gz QDYLXIGAXIRAIY-FRQCXROJSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001663492773 1080755773 /nfs/dbraw/zinc/75/57/73/1080755773.db2.gz HZHLLXRJGZJCJF-GOSISDBHSA-N 0 3 314.429 2.116 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](OCC)C1CCCC1 ZINC001663513017 1080762560 /nfs/dbraw/zinc/76/25/60/1080762560.db2.gz PZSGDPBPWIFVHO-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1CCc1ccnn1C ZINC001663518493 1080763625 /nfs/dbraw/zinc/76/36/25/1080763625.db2.gz HSAZZFMVSOOCFM-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN CC[C@@H](CC(C)C)C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001663628766 1080792791 /nfs/dbraw/zinc/79/27/91/1080792791.db2.gz HRPOCPLTIVKVKF-IRXDYDNUSA-N 0 3 308.466 2.147 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc2c([nH]1)CCCC2 ZINC001663688097 1080804856 /nfs/dbraw/zinc/80/48/56/1080804856.db2.gz KIJOGGRXWKFJOP-UHFFFAOYSA-N 0 3 301.434 2.359 20 30 DEEDHN C=CCN(CCNC(=O)CCn1cnc2ccccc21)C1CC1 ZINC001663734787 1080808846 /nfs/dbraw/zinc/80/88/46/1080808846.db2.gz HRWNJEXJCVSTQH-UHFFFAOYSA-N 0 3 312.417 2.193 20 30 DEEDHN CC(=O)CCCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663814007 1080821520 /nfs/dbraw/zinc/82/15/20/1080821520.db2.gz ROENXPRMUHXSNY-UHFFFAOYSA-N 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XINJPGBGHOHQEF-LLVKDONJSA-N 0 3 314.838 2.036 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[C@@H]1C ZINC001268658930 1080920827 /nfs/dbraw/zinc/92/08/27/1080920827.db2.gz HVELJPLYCNZODP-ZENOOKHLSA-N 0 3 304.821 2.442 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001664608220 1080932335 /nfs/dbraw/zinc/93/23/35/1080932335.db2.gz FAWZNOSVWCHTMH-OIISXLGYSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC)OCC ZINC001664621216 1080934186 /nfs/dbraw/zinc/93/41/86/1080934186.db2.gz GOZATNPOMTUBIK-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001664754995 1080956255 /nfs/dbraw/zinc/95/62/55/1080956255.db2.gz METRPYARBMMWGT-BZSNNMDCSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccc(F)c(F)c1 ZINC001268734731 1080959638 /nfs/dbraw/zinc/95/96/38/1080959638.db2.gz YXVAAJWFAIZDKB-GFCCVEGCSA-N 0 3 312.360 2.218 20 30 DEEDHN CCCCCCC[NH+]1CC(CNC(=O)c2c(C)nc[n-]c2=O)C1 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C=C[C@H](CC)CC(=O)N(CC)[C@H]1CCN(CCn2cccn2)C1 ZINC001665726392 1081070832 /nfs/dbraw/zinc/07/08/32/1081070832.db2.gz OYQXHQUKUWAJRI-SJORKVTESA-N 0 3 318.465 2.408 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCc2nc(C)cs2)C1 ZINC001665727043 1081071572 /nfs/dbraw/zinc/07/15/72/1081071572.db2.gz VZXZGUQVFDPCJY-OAHLLOKOSA-N 0 3 319.474 2.330 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)nn1C ZINC001268978898 1081072588 /nfs/dbraw/zinc/07/25/88/1081072588.db2.gz NYTRYQIXQNZVLC-GJZGRUSLSA-N 0 3 316.449 2.408 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CN(C)c2ccccc2)C1 ZINC001665742162 1081074036 /nfs/dbraw/zinc/07/40/36/1081074036.db2.gz LIMQFCLPDIPBGU-SFHVURJKSA-N 0 3 313.445 2.069 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccnc(C(F)(F)F)c1 ZINC001673478940 1081125782 /nfs/dbraw/zinc/12/57/82/1081125782.db2.gz ULYOTXLBDMERRW-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)CC[C@@H](C)OC)cc1 ZINC001666330600 1081144898 /nfs/dbraw/zinc/14/48/98/1081144898.db2.gz JKHLYDULDFONEO-OAHLLOKOSA-N 0 3 302.418 2.231 20 30 DEEDHN COCC#CCNCc1ccc(CNC(=O)C=C2CCC2)cc1 ZINC001666330587 1081144949 /nfs/dbraw/zinc/14/49/49/1081144949.db2.gz JASNFUUHXRNHTG-UHFFFAOYSA-N 0 3 312.413 2.153 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001269228043 1081174561 /nfs/dbraw/zinc/17/45/61/1081174561.db2.gz XFULJLYZOMADJK-NCOADZHNSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@H]2OCC)CCCC1 ZINC001482211700 1081192136 /nfs/dbraw/zinc/19/21/36/1081192136.db2.gz MZFRHSOBEVIUFO-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001269281826 1081196964 /nfs/dbraw/zinc/19/69/64/1081196964.db2.gz UWAQWEIOQDWGKC-JKSUJKDBSA-N 0 3 320.433 2.194 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)Cc1cccs1 ZINC001667068500 1081207609 /nfs/dbraw/zinc/20/76/09/1081207609.db2.gz BDXFRHLHJMUHMS-HNNXBMFYSA-N 0 3 322.474 2.061 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001269332857 1081216349 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C#CCCN(C)CCN(C)C(=O)c1c[nH]c2ccc(F)cc12 ZINC001667674243 1081272945 /nfs/dbraw/zinc/27/29/45/1081272945.db2.gz IAVLSJWTXNJKIN-UHFFFAOYSA-N 0 3 301.365 2.334 20 30 DEEDHN C=CCCC(=O)NC[C@@H](O)CN[C@@H](C)c1ccccc1Cl ZINC001667796242 1081290278 /nfs/dbraw/zinc/29/02/78/1081290278.db2.gz RLNYIERCIWHIJP-STQMWFEESA-N 0 3 310.825 2.434 20 30 DEEDHN C/C=C(\C)C(=O)N(C)CCN(C)Cc1ccc(OCC#N)cc1 ZINC001496687246 1081295771 /nfs/dbraw/zinc/29/57/71/1081295771.db2.gz NNVGWIVHTZVSGD-PJQLUOCWSA-N 0 3 315.417 2.445 20 30 DEEDHN Cc1ncoc1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001668015395 1081305609 /nfs/dbraw/zinc/30/56/09/1081305609.db2.gz IGYDFDFKCRQNNP-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001668229916 1081331416 /nfs/dbraw/zinc/33/14/16/1081331416.db2.gz WLWQKUSNUHVMDV-GFCCVEGCSA-N 0 3 314.389 2.010 20 30 DEEDHN COCC#CCN1CCC2(CCN(C(=O)CCC(C)C)C2)CC1 ZINC001269700109 1081338521 /nfs/dbraw/zinc/33/85/21/1081338521.db2.gz PFTBEKHTARGPNL-UHFFFAOYSA-N 0 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C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001669810791 1081471138 /nfs/dbraw/zinc/47/11/38/1081471138.db2.gz GWCYTYMSZDUNEV-UONOGXRCSA-N 0 3 322.836 2.315 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2csc(COC)n2)CC1 ZINC001006471221 1081484771 /nfs/dbraw/zinc/48/47/71/1081484771.db2.gz OBSRHDXSTALJAF-UHFFFAOYSA-N 0 3 323.462 2.402 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(CCOc2cccc(C)c2)CC1 ZINC001270274225 1081491839 /nfs/dbraw/zinc/49/18/39/1081491839.db2.gz ULHKLHWYSKQYKX-UHFFFAOYSA-N 0 3 314.429 2.320 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001671337571 1081514132 /nfs/dbraw/zinc/51/41/32/1081514132.db2.gz NKNJAEDSLMFPIJ-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCN(C(=O)CC1=CCCCC1)C1CCN(CCOC)CC1 ZINC001671465063 1081517782 /nfs/dbraw/zinc/51/77/82/1081517782.db2.gz IUELAULTNWZGML-UHFFFAOYSA-N 0 3 318.461 2.450 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001671660567 1081530181 /nfs/dbraw/zinc/53/01/81/1081530181.db2.gz UQCPZTUQOLEYRQ-WBVHZDCISA-N 0 3 304.438 2.299 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1cc(C)ncn1 ZINC001270477976 1081534306 /nfs/dbraw/zinc/53/43/06/1081534306.db2.gz JNGMAPPNOMYEIA-ZDUSSCGKSA-N 0 3 304.438 2.229 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@](C)(CNCc2nccnc2C)C1 ZINC001671769987 1081537822 /nfs/dbraw/zinc/53/78/22/1081537822.db2.gz YUYQWFBWJXJAPV-SFHVURJKSA-N 0 3 316.449 2.325 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001270506823 1081539708 /nfs/dbraw/zinc/53/97/08/1081539708.db2.gz DHIRWCXPWCSAQS-CRAIPNDOSA-N 0 3 314.433 2.379 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001671917132 1081550162 /nfs/dbraw/zinc/55/01/62/1081550162.db2.gz VWRIRECRIJWQSD-SFHVURJKSA-N 0 3 316.449 2.237 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001672035062 1081558092 /nfs/dbraw/zinc/55/80/92/1081558092.db2.gz SQOMBGAQPYWAFD-VQIMIIECSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001270631476 1081575711 /nfs/dbraw/zinc/57/57/11/1081575711.db2.gz CANJJHQJMPEJGZ-QGZVFWFLSA-N 0 3 304.438 2.163 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001482318245 1081608450 /nfs/dbraw/zinc/60/84/50/1081608450.db2.gz CMRDJMBBCDXURB-HUBLWGQQSA-N 0 3 303.381 2.290 20 30 DEEDHN CC#CC(=O)N1CCC[C@]2(CCN(Cc3scnc3C)C2)C1 ZINC001270716475 1081613415 /nfs/dbraw/zinc/61/34/15/1081613415.db2.gz IRFNRMLRNVYUPI-QGZVFWFLSA-N 0 3 317.458 2.289 20 30 DEEDHN C=CCCCC(=O)N1CC[C@](C)(CNCc2cnc(C)cn2)C1 ZINC001270788796 1081713237 /nfs/dbraw/zinc/71/32/37/1081713237.db2.gz MCHYWJQBBRSKIO-GOSISDBHSA-N 0 3 316.449 2.470 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)COc2cccnc2)cc1 ZINC001672943612 1081724225 /nfs/dbraw/zinc/72/42/25/1081724225.db2.gz OPMOAYSSLOPVQW-HNNXBMFYSA-N 0 3 323.396 2.061 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(F)cn2)cc1 ZINC001672937132 1081724377 /nfs/dbraw/zinc/72/43/77/1081724377.db2.gz HQXVBOMQVUTMOX-CYBMUJFWSA-N 0 3 311.360 2.435 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001673386061 1081763472 /nfs/dbraw/zinc/76/34/72/1081763472.db2.gz IORJAZQWZQPJPQ-KSZLIROESA-N 0 3 318.461 2.043 20 30 DEEDHN COCC#CCN1CCC(CCCCCNC(=O)C2CC2)CC1 ZINC001673625280 1081786239 /nfs/dbraw/zinc/78/62/39/1081786239.db2.gz OWMYLSSFUMXHMO-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](OC)C2CCC2)C(C)(C)C1 ZINC001674022401 1081827666 /nfs/dbraw/zinc/82/76/66/1081827666.db2.gz CDJFTMLWWLVYBC-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccccc2F)C[C@@H]1C ZINC001674152935 1081847192 /nfs/dbraw/zinc/84/71/92/1081847192.db2.gz DLSYTWFWWYEUJU-HOCLYGCPSA-N 0 3 302.393 2.361 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2csc(C)n2)C[C@@H]1C ZINC001674148291 1081848069 /nfs/dbraw/zinc/84/80/69/1081848069.db2.gz VFBPCGBSNJQERQ-DZGCQCFKSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC(C)(C)O ZINC001674266124 1081854448 /nfs/dbraw/zinc/85/44/48/1081854448.db2.gz BXBKQHWXTKEIIK-KRWDZBQOSA-N 0 3 316.445 2.439 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)c2ccc[nH]2)CC1 ZINC001674284606 1081856299 /nfs/dbraw/zinc/85/62/99/1081856299.db2.gz RNNZWXSOBKNFOR-UHFFFAOYSA-N 0 3 318.465 2.109 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H](CC)CC(F)F)CC1 ZINC001674310885 1081859335 /nfs/dbraw/zinc/85/93/35/1081859335.db2.gz GJZLKJRINUTXLI-ZDUSSCGKSA-N 0 3 318.408 2.187 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccn2CC)C1 ZINC001271006827 1081873055 /nfs/dbraw/zinc/87/30/55/1081873055.db2.gz BYPYVIHVHBYLQS-GOSISDBHSA-N 0 3 301.434 2.363 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001674450015 1081873641 /nfs/dbraw/zinc/87/36/41/1081873641.db2.gz LIWXPXUCVKZAHA-AEFFLSMTSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ncn2ccc(C)cc12 ZINC001674463234 1081875858 /nfs/dbraw/zinc/87/58/58/1081875858.db2.gz IGMABVCQBXZOEK-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CC(CNCc2cc(OC)no2)C1 ZINC001674578916 1081891145 /nfs/dbraw/zinc/89/11/45/1081891145.db2.gz OVYSKXIUJZYTCT-FVKWTLKZSA-N 0 3 321.421 2.270 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CC(CNCc2cc(C)ncn2)C1 ZINC001674587716 1081892102 /nfs/dbraw/zinc/89/21/02/1081892102.db2.gz QCDUFKRQGWIICS-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC001674639206 1081896816 /nfs/dbraw/zinc/89/68/16/1081896816.db2.gz AUEOIBLAPLFJPV-OLZOCXBDSA-N 0 3 321.396 2.213 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cncc(F)c1 ZINC001674655183 1081900451 /nfs/dbraw/zinc/90/04/51/1081900451.db2.gz WIGMTUAPNVHGIB-KGLIPLIRSA-N 0 3 305.397 2.397 20 30 DEEDHN Cc1nocc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001271093035 1081906845 /nfs/dbraw/zinc/90/68/45/1081906845.db2.gz MFTOAKWWRWKBLT-AWEZNQCLSA-N 0 3 311.385 2.085 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCC(=O)NC1CCCC1 ZINC001271094067 1081907539 /nfs/dbraw/zinc/90/75/39/1081907539.db2.gz UIXUUPXRLJFAMG-KSSFIOAISA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CCN(CCCNC(=O)C=C2CCCCC2)CC1 ZINC001266258008 1081921854 /nfs/dbraw/zinc/92/18/54/1081921854.db2.gz VTNDKIOBLCAHJK-UHFFFAOYSA-N 0 3 317.477 2.024 20 30 DEEDHN CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001482465658 1081932919 /nfs/dbraw/zinc/93/29/19/1081932919.db2.gz IURDOAKICCRLJE-LSDHHAIUSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cnc(-c2ccco2)s1 ZINC001266350115 1081990955 /nfs/dbraw/zinc/99/09/55/1081990955.db2.gz HNFUFWDQNZOMOZ-UHFFFAOYSA-N 0 3 303.387 2.088 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@]1(C)CCOc2ccccc21 ZINC001266350839 1081991578 /nfs/dbraw/zinc/99/15/78/1081991578.db2.gz UDEIDAVSOGYDKO-GOSISDBHSA-N 0 3 302.418 2.351 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC001649249587 1081995008 /nfs/dbraw/zinc/99/50/08/1081995008.db2.gz RVBSGGSMZVAOST-HIFRSBDPSA-N 0 3 324.384 2.288 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC[C@H](C)F)C2)CCOCC1 ZINC001266356622 1081995334 /nfs/dbraw/zinc/99/53/34/1081995334.db2.gz 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C#CCCCC(=O)N1C[C@H]2CN(Cc3cncc(C)c3)C[C@H]2C1 ZINC001271846390 1082171259 /nfs/dbraw/zinc/17/12/59/1082171259.db2.gz VJZMWUQZVPACKN-HDICACEKSA-N 0 3 311.429 2.084 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CN1CCc2ccccc21 ZINC001670725168 1082260557 /nfs/dbraw/zinc/26/05/57/1082260557.db2.gz XIWUCVZBNFYSMM-KRWDZBQOSA-N 0 3 313.445 2.206 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266678399 1082276336 /nfs/dbraw/zinc/27/63/36/1082276336.db2.gz ASDMVYYBNHJDFO-NXHRZFHOSA-N 0 3 314.429 2.090 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001272020920 1082287046 /nfs/dbraw/zinc/28/70/46/1082287046.db2.gz SNBODRNEABAJFL-UHFFFAOYSA-N 0 3 301.434 2.406 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)nc3)[C@@H]2C1 ZINC001075881389 1082293970 /nfs/dbraw/zinc/29/39/70/1082293970.db2.gz PZJYIROJJUXQSB-FUHWJXTLSA-N 0 3 311.429 2.375 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](CNCc2cnns2)C1 ZINC001266804868 1082357481 /nfs/dbraw/zinc/35/74/81/1082357481.db2.gz 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MUJMZPGCQAKORC-WMLDXEAASA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCOc2ccccc2F)C1 ZINC001486135772 1085082806 /nfs/dbraw/zinc/08/28/06/1085082806.db2.gz QQRLSKBLWNLLII-HUUCEWRRSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1CO[C@H](C)C1)C2 ZINC000964093345 1085162170 /nfs/dbraw/zinc/16/21/70/1085162170.db2.gz UYVJPOKXHYXFDE-FWNHAUFMSA-N 0 3 312.841 2.181 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)c1ccnn1C ZINC000960267062 1085172749 /nfs/dbraw/zinc/17/27/49/1085172749.db2.gz IVUVWLXLQAVJPO-MZMPZRCHSA-N 0 3 324.428 2.081 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NCC(=O)N[C@H](C)CC)C(C)(C)C1 ZINC001486234818 1085173667 /nfs/dbraw/zinc/17/36/67/1085173667.db2.gz YBOAEMKCXZDGHH-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cscn1 ZINC000960310737 1085191458 /nfs/dbraw/zinc/19/14/58/1085191458.db2.gz NMQNLMAQYFQEQK-NVXWUHKLSA-N 0 3 313.426 2.243 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc(C)nc1C ZINC000960315898 1085192703 /nfs/dbraw/zinc/19/27/03/1085192703.db2.gz ZUPIRVLVZJDLIC-QZTJIDSGSA-N 0 3 322.412 2.265 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnnc1 ZINC000960314232 1085192734 /nfs/dbraw/zinc/19/27/34/1085192734.db2.gz XUYNPXLUVKMRSE-IAGOWNOFSA-N 0 3 308.385 2.038 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1[nH]cnc1CC ZINC000960330783 1085199270 /nfs/dbraw/zinc/19/92/70/1085199270.db2.gz ODOOPRWOMRKCNP-HZPDHXFCSA-N 0 3 310.401 2.144 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)CCc1ccc(=O)[nH]c1)C(C)C ZINC001486374305 1085245077 /nfs/dbraw/zinc/24/50/77/1085245077.db2.gz TZOUFADJERSVCW-UHFFFAOYSA-N 0 3 319.449 2.465 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H](C)c1c(C)n[nH]c1C)C(C)C ZINC001486376403 1085247758 /nfs/dbraw/zinc/24/77/58/1085247758.db2.gz CLYLWWQOAFJDMR-CYBMUJFWSA-N 0 3 306.454 2.485 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cnn(CCC)c1)C(C)C ZINC001486377004 1085251360 /nfs/dbraw/zinc/25/13/60/1085251360.db2.gz XQIKJLAVWWHTQJ-UHFFFAOYSA-N 0 3 304.438 2.099 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCO[C@H](CC)C1)C(C)C ZINC001486378496 1085252262 /nfs/dbraw/zinc/25/22/62/1085252262.db2.gz LRGGUGCXCAVKHG-DLBZAZTESA-N 0 3 308.466 2.384 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CNCc1ccnn1C)C(C)(C)C ZINC001486400335 1085286728 /nfs/dbraw/zinc/28/67/28/1085286728.db2.gz VMGSDTYLSPMYRE-HNNXBMFYSA-N 0 3 306.454 2.397 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960457870 1085296850 /nfs/dbraw/zinc/29/68/50/1085296850.db2.gz JJQWPIVWNSHGPJ-WMLDXEAASA-N 0 3 315.417 2.016 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960457867 1085296972 /nfs/dbraw/zinc/29/69/72/1085296972.db2.gz JJQWPIVWNSHGPJ-RHSMWYFYSA-N 0 3 315.417 2.016 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)Cc2sc(C)nc2C)CC1 ZINC001486446807 1085319284 /nfs/dbraw/zinc/31/92/84/1085319284.db2.gz AJULWBVHIQQRIU-LBPRGKRZSA-N 0 3 319.474 2.152 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001486452228 1085332189 /nfs/dbraw/zinc/33/21/89/1085332189.db2.gz GQXPLXYUDIQVTC-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H](C)n2cccn2)c(F)c1 ZINC001486523340 1085406731 /nfs/dbraw/zinc/40/67/31/1085406731.db2.gz SZMUXBZKXRFIFR-ZDUSSCGKSA-N 0 3 316.380 2.175 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000960713787 1085424764 /nfs/dbraw/zinc/42/47/64/1085424764.db2.gz OKDUPPZEZTVQAA-MKVSYHDVSA-N 0 3 314.433 2.009 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001486728351 1085548071 /nfs/dbraw/zinc/54/80/71/1085548071.db2.gz UQSPBNRUOXIOJS-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965621063 1085626855 /nfs/dbraw/zinc/62/68/55/1085626855.db2.gz FMDSVRDKKMQXRF-RNCFNFMXSA-N 0 3 310.829 2.219 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cnc(Cl)c(C)c3)C2)C1=O ZINC001272956522 1085638479 /nfs/dbraw/zinc/63/84/79/1085638479.db2.gz CWPHZGLUSYVDPU-QGZVFWFLSA-N 0 3 317.820 2.101 20 30 DEEDHN CC(C)=CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000965887491 1085676228 /nfs/dbraw/zinc/67/62/28/1085676228.db2.gz XPPSCSZVWAFXRC-BBRMVZONSA-N 0 3 300.406 2.293 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)C3CCC3)C2)ccc1F ZINC000966006385 1085729586 /nfs/dbraw/zinc/72/95/86/1085729586.db2.gz RFZHTLOFYFOSIG-OAHLLOKOSA-N 0 3 301.365 2.188 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3ccc(CC)cc3)C2)OCC1=O ZINC001272972825 1085738715 /nfs/dbraw/zinc/73/87/15/1085738715.db2.gz YMPJLDKNMHERLN-LJQANCHMSA-N 0 3 314.429 2.238 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)n[nH]c1C ZINC001272978213 1085760971 /nfs/dbraw/zinc/76/09/71/1085760971.db2.gz OPOQVZILCRQMFS-HZPDHXFCSA-N 0 3 302.422 2.168 20 30 DEEDHN C[C@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C=CCC1 ZINC000961518562 1085768495 /nfs/dbraw/zinc/76/84/95/1085768495.db2.gz ZYCXOHRRWKHPIT-XFKSJGNHSA-N 0 3 321.424 2.461 20 30 DEEDHN N#CCCCN1CCC2(CCN(Cc3ccoc3)CC2)C1=O ZINC001272983865 1085782271 /nfs/dbraw/zinc/78/22/71/1085782271.db2.gz VYWANMFZTWBLLF-UHFFFAOYSA-N 0 3 301.390 2.398 20 30 DEEDHN CC(C)(F)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000966082950 1085786304 /nfs/dbraw/zinc/78/63/04/1085786304.db2.gz NNVFBXBKIYTOGN-CYBMUJFWSA-N 0 3 307.344 2.136 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1OC1CCC1 ZINC000961723072 1085842763 /nfs/dbraw/zinc/84/27/63/1085842763.db2.gz PZWXPPRLIDWNTF-VQFNDLOPSA-N 0 3 312.413 2.464 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000961826803 1085872652 /nfs/dbraw/zinc/87/26/52/1085872652.db2.gz VKNBVKHZGJQZFW-DZVNLGKHSA-N 0 3 309.413 2.151 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3c[nH]cn3)CC2)C1=O ZINC001273024282 1086003513 /nfs/dbraw/zinc/00/35/13/1086003513.db2.gz WFIORDWRWCTQRC-QGZVFWFLSA-N 0 3 302.422 2.190 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C2CCCC2)c1C ZINC000962249496 1086037173 /nfs/dbraw/zinc/03/71/73/1086037173.db2.gz GEVQPLUVVOMWCB-FVQHAEBGSA-N 0 3 314.433 2.153 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000962332163 1086068596 /nfs/dbraw/zinc/06/85/96/1086068596.db2.gz PDGCUAVPSRLMJQ-ZSHCYNCHSA-N 0 3 302.393 2.336 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001033539250 1086330137 /nfs/dbraw/zinc/33/01/37/1086330137.db2.gz IAXJWGXCFFKWIK-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000963259186 1086356227 /nfs/dbraw/zinc/35/62/27/1086356227.db2.gz LKIOUXIWRIEDFV-ZFWWWQNUSA-N 0 3 322.840 2.479 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000963280526 1086381715 /nfs/dbraw/zinc/38/17/15/1086381715.db2.gz XRWOCBZNMGKIDO-HZPDHXFCSA-N 0 3 318.461 2.328 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC001128936259 1086455652 /nfs/dbraw/zinc/45/56/52/1086455652.db2.gz STSSNMHKXJQGKO-CQSZACIVSA-N 0 3 307.344 2.199 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CN(CC)CC)CC1 ZINC001078966309 1086466668 /nfs/dbraw/zinc/46/66/68/1086466668.db2.gz MZOOQVAGVYWGOG-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC#N)C1 ZINC000458734094 1086833854 /nfs/dbraw/zinc/83/38/54/1086833854.db2.gz YDAORRBAKLBNMS-OAHLLOKOSA-N 0 3 300.406 2.064 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H](O)C1 ZINC001090285150 1087219596 /nfs/dbraw/zinc/21/95/96/1087219596.db2.gz CZIRWXUGKNARBD-JKSUJKDBSA-N 0 3 314.385 2.174 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1[nH]nc2ccccc21 ZINC001273185066 1087232418 /nfs/dbraw/zinc/23/24/18/1087232418.db2.gz QORGETARFUFHAA-IAGOWNOFSA-N 0 3 310.401 2.314 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H](O)C1 ZINC001090330158 1087682284 /nfs/dbraw/zinc/68/22/84/1087682284.db2.gz SEDAXQOXYJVVOO-JKSUJKDBSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1c1cccc(F)c1 ZINC001079197464 1087761813 /nfs/dbraw/zinc/76/18/13/1087761813.db2.gz LLPCTWAGHISJHR-JKSUJKDBSA-N 0 3 318.367 2.093 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114673435 1087971936 /nfs/dbraw/zinc/97/19/36/1087971936.db2.gz DPAFRGPZNBVJBV-ZSHCYNCHSA-N 0 3 308.466 2.452 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001490877786 1088098801 /nfs/dbraw/zinc/09/88/01/1088098801.db2.gz XYCVMVBGDZHTSO-XIRDDKMYSA-N 0 3 316.470 2.274 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)c2ccccc2CN(C)C)C1 ZINC000957422032 1088275749 /nfs/dbraw/zinc/27/57/49/1088275749.db2.gz FKRZXJZTPXLROL-UHFFFAOYSA-N 0 3 315.461 2.471 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001079705969 1088341249 /nfs/dbraw/zinc/34/12/49/1088341249.db2.gz ITBDEJSIUAUNBH-IUODEOHRSA-N 0 3 315.417 2.009 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001114755845 1088444369 /nfs/dbraw/zinc/44/43/69/1088444369.db2.gz QWHWKNTZPICPGE-DZFIZOCASA-N 0 3 314.429 2.082 20 30 DEEDHN CCC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001114789481 1088498959 /nfs/dbraw/zinc/49/89/59/1088498959.db2.gz GDYCKYPXXMKBQA-FVQHAEBGSA-N 0 3 309.413 2.295 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2[C@H]3CN(CCOCC(C)C)C[C@H]32)CC1 ZINC001114794695 1088531546 /nfs/dbraw/zinc/53/15/46/1088531546.db2.gz NRZDKOMVDLFMQS-FVQHAEBGSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001080105024 1088625174 /nfs/dbraw/zinc/62/51/74/1088625174.db2.gz ZTUAEWOIFZWBEC-CZUORRHYSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001080259692 1088746848 /nfs/dbraw/zinc/74/68/48/1088746848.db2.gz INUYGSFGSXSGAA-ZIAGYGMSSA-N 0 3 304.459 2.486 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H](O)C1 ZINC000958439347 1088991168 /nfs/dbraw/zinc/99/11/68/1088991168.db2.gz XAOYOJAYKHSTFN-UKRRQHHQSA-N 0 3 320.433 2.094 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=CCCC2)cc1 ZINC000958562284 1089060346 /nfs/dbraw/zinc/06/03/46/1089060346.db2.gz PHTQZMLYWYEPOK-PIIMJCKOSA-N 0 3 307.397 2.215 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc(C(C)C)cc2)[C@H](O)C1 ZINC000958610368 1089091904 /nfs/dbraw/zinc/09/19/04/1089091904.db2.gz SANCEPYTFOJFRW-QZTJIDSGSA-N 0 3 316.445 2.409 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC000958634963 1089110574 /nfs/dbraw/zinc/11/05/74/1089110574.db2.gz DJCPNASRHGQOFV-MAUKXSAKSA-N 0 3 314.429 2.163 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc(C)c(CC)s2)C1 ZINC000958650367 1089123393 /nfs/dbraw/zinc/12/33/93/1089123393.db2.gz WLMZUNLOASILHH-KBPBESRZSA-N 0 3 322.474 2.218 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001081005486 1089277366 /nfs/dbraw/zinc/27/73/66/1089277366.db2.gz MKTOJJILFXYNRJ-JKIFEVAISA-N 0 3 302.418 2.421 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC001081048947 1089323146 /nfs/dbraw/zinc/32/31/46/1089323146.db2.gz WFXIVTGLOSHHNL-UKRRQHHQSA-N 0 3 316.449 2.400 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@H](OC)C1 ZINC001081916801 1089546048 /nfs/dbraw/zinc/54/60/48/1089546048.db2.gz DGZONKMXDCUXRJ-NVXWUHKLSA-N 0 3 318.417 2.009 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)[C@H](OC)C1 ZINC001081964496 1089602531 /nfs/dbraw/zinc/60/25/31/1089602531.db2.gz KVCGNLAEMYPETD-HZPDHXFCSA-N 0 3 317.433 2.012 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H](OC)C1 ZINC001082109605 1089729132 /nfs/dbraw/zinc/72/91/32/1089729132.db2.gz DOVLWBJWNDGFSL-CHWSQXEVSA-N 0 3 311.813 2.063 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000959859276 1089800333 /nfs/dbraw/zinc/80/03/33/1089800333.db2.gz UKBFZUZVTQYPGS-ZSAUSMIDSA-N 0 3 302.443 2.392 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000959930692 1089855093 /nfs/dbraw/zinc/85/50/93/1089855093.db2.gz ITGYTGOEDXLRKF-WKULXVSPSA-N 0 3 312.413 2.139 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@H]3C=CCCC3)[C@H]2C1 ZINC001083118340 1090155288 /nfs/dbraw/zinc/15/52/88/1090155288.db2.gz CJTHMRXNAGQTDU-YESZJQIVSA-N 0 3 304.434 2.221 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001084080716 1090194133 /nfs/dbraw/zinc/19/41/33/1090194133.db2.gz ZIDPQRJBFGJIGN-NDUQDZPOSA-N 0 3 306.450 2.084 20 30 DEEDHN O=C(C#CC1CC1)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084334928 1090271103 /nfs/dbraw/zinc/27/11/03/1090271103.db2.gz QTMSSTZCNIUDQK-NVXWUHKLSA-N 0 3 314.454 2.237 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4cc(C)cn4c3)[C@@H]2C1 ZINC001084393963 1090289050 /nfs/dbraw/zinc/28/90/50/1090289050.db2.gz RUWSUIJAEVSQAX-VQIMIIECSA-N 0 3 321.424 2.417 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001084513000 1090318379 /nfs/dbraw/zinc/31/83/79/1090318379.db2.gz LWIPWMVYZSUVOS-OWCLPIDISA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001084690445 1090393269 /nfs/dbraw/zinc/39/32/69/1090393269.db2.gz YJHLTMAVAVYQTA-RTBURBONSA-N 0 3 310.441 2.348 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001084700131 1090401677 /nfs/dbraw/zinc/40/16/77/1090401677.db2.gz RGRUOYCHAZVQKU-KBAYOESNSA-N 0 3 311.429 2.131 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001084724650 1090411628 /nfs/dbraw/zinc/41/16/28/1090411628.db2.gz NQZPDZCYQDEYLJ-DAXOMENPSA-N 0 3 316.449 2.239 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4nc(C)[nH]c43)[C@@H]2C1 ZINC001084757016 1090431005 /nfs/dbraw/zinc/43/10/05/1090431005.db2.gz ZVIZAEBDVUKYOQ-RHSMWYFYSA-N 0 3 322.412 2.041 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001084907102 1090509461 /nfs/dbraw/zinc/50/94/61/1090509461.db2.gz UJAFUNQFJBXSMD-QGTPRVQTSA-N 0 3 322.412 2.141 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OCC ZINC001098948945 1090637023 /nfs/dbraw/zinc/63/70/23/1090637023.db2.gz JZYUBWXWYMUONX-HOTGVXAUSA-N 0 3 308.466 2.432 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001410442624 1090678307 /nfs/dbraw/zinc/67/83/07/1090678307.db2.gz XBGMOPDLHARIHZ-IUODEOHRSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001085174626 1090694429 /nfs/dbraw/zinc/69/44/29/1090694429.db2.gz LGXOYRRGNPNPOW-ZIAGYGMSSA-N 0 3 306.797 2.269 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(OC)ccc3F)C2)C1=O ZINC001273295866 1090760880 /nfs/dbraw/zinc/76/08/80/1090760880.db2.gz XKTVBIPIUMMUEC-GOSISDBHSA-N 0 3 318.392 2.445 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)CN(CC)CC)CC1 ZINC001066194606 1091008450 /nfs/dbraw/zinc/00/84/50/1091008450.db2.gz USSJOXYQFCKRLG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001273382964 1091119311 /nfs/dbraw/zinc/11/93/11/1091119311.db2.gz FCIIJGGQKSPLJM-KRWDZBQOSA-N 0 3 318.392 2.060 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cnc(F)c(C)c3)C2)C1=O ZINC001274233544 1091143959 /nfs/dbraw/zinc/14/39/59/1091143959.db2.gz DHMRTQSQOXQBNC-KRWDZBQOSA-N 0 3 303.381 2.140 20 30 DEEDHN N#Cc1cc(CN2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)ccn1 ZINC001274279251 1091164357 /nfs/dbraw/zinc/16/43/57/1091164357.db2.gz DXASZOXXZSRCMF-LJQANCHMSA-N 0 3 324.428 2.320 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(F)c(C)n3)C2)C1=O ZINC001274443972 1091245833 /nfs/dbraw/zinc/24/58/33/1091245833.db2.gz LFZAITZFLJDKES-KRWDZBQOSA-N 0 3 303.381 2.140 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@@H](CNCCF)C2)CCCCC1 ZINC001280684073 1091264888 /nfs/dbraw/zinc/26/48/88/1091264888.db2.gz ULRDSZPWXYBZRF-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C#CCNCCN(CC)C(=O)CCOc1ccc(C)c(C)c1 ZINC001273413088 1091276328 /nfs/dbraw/zinc/27/63/28/1091276328.db2.gz RODWGZIYCPAZBK-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(COC)cc2)C1=O ZINC001274536338 1091290919 /nfs/dbraw/zinc/29/09/19/1091290919.db2.gz JJMBNUGUUBCBAD-IBGZPJMESA-N 0 3 312.413 2.033 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1n[nH]c2c1CCC2 ZINC001274570100 1091302587 /nfs/dbraw/zinc/30/25/87/1091302587.db2.gz VZDIIZVWMZPDLH-IAGOWNOFSA-N 0 3 314.433 2.040 20 30 DEEDHN Cc1ccncc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274715961 1091383115 /nfs/dbraw/zinc/38/31/15/1091383115.db2.gz MXNUDIUFIGGATP-MRXNPFEDSA-N 0 3 307.397 2.150 20 30 DEEDHN CC#CCCCC(=O)NCC[C@H](C)N[C@H](C)c1cnccn1 ZINC001274772154 1091406072 /nfs/dbraw/zinc/40/60/72/1091406072.db2.gz NPHVMNBMXFRWFT-LSDHHAIUSA-N 0 3 302.422 2.216 20 30 DEEDHN C=CCCCCN1CC2(C1)CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001274974834 1091496842 /nfs/dbraw/zinc/49/68/42/1091496842.db2.gz PJBALSGPKSFSTO-UHFFFAOYSA-N 0 3 322.840 2.037 20 30 DEEDHN C=CCCCCN1CC2(C1)CN(C(=O)CCc1ccc[nH]1)C2 ZINC001274975106 1091497103 /nfs/dbraw/zinc/49/71/03/1091497103.db2.gz UBTUFQVPSLOWJS-UHFFFAOYSA-N 0 3 301.434 2.448 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCCN[C@H](C)c2cnccn2)cc1 ZINC001276161976 1091616761 /nfs/dbraw/zinc/61/67/61/1091616761.db2.gz KTQRFLDCOVYIAP-OAHLLOKOSA-N 0 3 322.412 2.271 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001275424812 1091737397 /nfs/dbraw/zinc/73/73/97/1091737397.db2.gz QPKCNSDIKRZLAG-RYUDHWBXSA-N 0 3 318.421 2.122 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C2(C(F)(F)F)CC2)CC1 ZINC001273446023 1091768385 /nfs/dbraw/zinc/76/83/85/1091768385.db2.gz PHUMEDMVWIHSRC-GFCCVEGCSA-N 0 3 302.340 2.323 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C(C)C)CCC1 ZINC001275479680 1091786481 /nfs/dbraw/zinc/78/64/81/1091786481.db2.gz CBXHRHWFZKJVDH-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN C[C@H](CCCC#N)N1C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172494883 1091832433 /nfs/dbraw/zinc/83/24/33/1091832433.db2.gz ZEHFGFXHXWCZMU-HZSPNIEDSA-N 0 3 311.426 2.029 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1cc(C)sc1C ZINC001275558015 1091858731 /nfs/dbraw/zinc/85/87/31/1091858731.db2.gz ANJGJRXHFRDVLE-OCCSQVGLSA-N 0 3 322.474 2.340 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC001273565867 1091925608 /nfs/dbraw/zinc/92/56/08/1091925608.db2.gz LBEHHXRHYYGAPZ-IRXDYDNUSA-N 0 3 308.466 2.385 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000948793724 1091939566 /nfs/dbraw/zinc/93/95/66/1091939566.db2.gz YTGPIRNLEQLUFR-HNNXBMFYSA-N 0 3 316.449 2.483 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CC1CCC(OC)CC1 ZINC001273600246 1091945373 /nfs/dbraw/zinc/94/53/73/1091945373.db2.gz ZLLWTGVICNSAHM-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cn(CC)nc2C)CC1 ZINC000948816984 1091954918 /nfs/dbraw/zinc/95/49/18/1091954918.db2.gz QXKCQEGPWOBKDH-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cncc(C#N)c3)CC2)C1=O ZINC001273615724 1091956839 /nfs/dbraw/zinc/95/68/39/1091956839.db2.gz ZXOCLAYAPNWWBO-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2c(C)noc2Cl)CC1 ZINC000948852660 1091965364 /nfs/dbraw/zinc/96/53/64/1091965364.db2.gz SJPDPVHGGRYXKH-CYBMUJFWSA-N 0 3 323.824 2.125 20 30 DEEDHN CC[C@H](C)N1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273633009 1091966290 /nfs/dbraw/zinc/96/62/90/1091966290.db2.gz YDUVPEFENIMUSE-KSSFIOAISA-N 0 3 312.417 2.176 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc(OC)c2F)CC1 ZINC000948876698 1091978049 /nfs/dbraw/zinc/97/80/49/1091978049.db2.gz BFXLJHHUYXTOPB-CQSZACIVSA-N 0 3 318.392 2.394 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccc(OC)cn3)C2)C1=O ZINC001273666067 1091983276 /nfs/dbraw/zinc/98/32/76/1091983276.db2.gz OEKJSDRXYCXLBZ-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=C1CC(C)(C(=O)NCCC[C@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001487546792 1092057663 /nfs/dbraw/zinc/05/76/63/1092057663.db2.gz PVHLORISJXKDOX-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C1(C)CCCC1)CCO2 ZINC000949154323 1092058545 /nfs/dbraw/zinc/05/85/45/1092058545.db2.gz UPCXVTKRMAWRHR-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C1CC1)C1CC1)CCO2 ZINC000949223002 1092075094 /nfs/dbraw/zinc/07/50/94/1092075094.db2.gz AFPHEGMKUPZCGG-UHFFFAOYSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3ccc(C)o3)CC2)C1 ZINC000949291398 1092094364 /nfs/dbraw/zinc/09/43/64/1092094364.db2.gz BEFZVDBYJCJNHC-UHFFFAOYSA-N 0 3 318.417 2.471 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001275907537 1092291109 /nfs/dbraw/zinc/29/11/09/1092291109.db2.gz DAINMSSZMGJKMK-INIZCTEOSA-N 0 3 321.396 2.060 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494911075 1092298094 /nfs/dbraw/zinc/29/80/94/1092298094.db2.gz RUEQIRMTUVDWMD-HIFRSBDPSA-N 0 3 313.873 2.004 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001275913205 1092299407 /nfs/dbraw/zinc/29/94/07/1092299407.db2.gz QFZAAAZYSRLHML-GUYCJALGSA-N 0 3 320.408 2.105 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC001326259480 1092355524 /nfs/dbraw/zinc/35/55/24/1092355524.db2.gz WSDFAZBUQSGXBL-HUUCEWRRSA-N 0 3 314.857 2.384 20 30 DEEDHN Cc1nc(C)c(C(=O)NC/C=C/CNCc2ccc(C#N)cc2)o1 ZINC001273928224 1092520752 /nfs/dbraw/zinc/52/07/52/1092520752.db2.gz LEPSIXAKJVJKJN-ONEGZZNKSA-N 0 3 324.384 2.239 20 30 DEEDHN Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001488909749 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VNRAJDIFWRLCRF-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCCC[C@H]1CC)C1CCN(CCO)CC1 ZINC001324432590 1142076435 /nfs/dbraw/zinc/07/64/35/1142076435.db2.gz YZTPQNNRVLEBTG-AEFFLSMTSA-N 0 3 320.477 2.121 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001278566442 1142183109 /nfs/dbraw/zinc/18/31/09/1142183109.db2.gz XOVJHVZKRUSHJZ-HUUCEWRRSA-N 0 3 304.438 2.151 20 30 DEEDHN N#CCC1CCN(C[C@H](O)COc2ccc(F)cc2F)CC1 ZINC001250858220 1142338179 /nfs/dbraw/zinc/33/81/79/1142338179.db2.gz VGUPAFCPMGVNIR-AWEZNQCLSA-N 0 3 310.344 2.330 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC001278626355 1142372820 /nfs/dbraw/zinc/37/28/20/1142372820.db2.gz AHYMGVNMBBKWJN-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN CCOC(=O)C1CCC(O)(CNC2(CC#N)CCCC2)CC1 ZINC001251084232 1142378604 /nfs/dbraw/zinc/37/86/04/1142378604.db2.gz XKCZSDFRFSDPRA-UHFFFAOYSA-N 0 3 308.422 2.287 20 30 DEEDHN C#CCN(C(=O)c1ccc(-n2cccn2)cc1)C1CCN(C)CC1 ZINC001336567988 1142507516 /nfs/dbraw/zinc/50/75/16/1142507516.db2.gz YTPHNKNZWJFCJT-UHFFFAOYSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCOC[C@H](O)CNCc1c(Cl)cccc1C(F)(F)F ZINC001251888390 1142533127 /nfs/dbraw/zinc/53/31/27/1142533127.db2.gz STDAJSWPMOSBQO-SNVBAGLBSA-N 0 3 321.726 2.459 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC001336722035 1142547306 /nfs/dbraw/zinc/54/73/06/1142547306.db2.gz JGBVTINBVMIQRS-HZPDHXFCSA-N 0 3 323.481 2.334 20 30 DEEDHN C=CCC[C@H](O)CN1CCc2nc(C(=O)OCC)sc2CC1 ZINC001252596824 1142778589 /nfs/dbraw/zinc/77/85/89/1142778589.db2.gz VEYNXAUFYHFEQU-LBPRGKRZSA-N 0 3 324.446 2.048 20 30 DEEDHN C=CCC[C@@H](O)CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001252597457 1142779323 /nfs/dbraw/zinc/77/93/23/1142779323.db2.gz ZLEXYUSMNGFPFV-SJLPKXTDSA-N 0 3 319.449 2.069 20 30 DEEDHN C=CCC[C@H](O)CN1CC2(C1)CCN(Cc1csc(C)n1)C2 ZINC001252599180 1142781158 /nfs/dbraw/zinc/78/11/58/1142781158.db2.gz XYYKADRYSBAEGX-INIZCTEOSA-N 0 3 321.490 2.286 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@H](Oc2ncccc2OC)C1 ZINC001252604585 1142786846 /nfs/dbraw/zinc/78/68/46/1142786846.db2.gz VCLQEKVJQLPPFV-CABCVRRESA-N 0 3 306.406 2.261 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001278693030 1142840242 /nfs/dbraw/zinc/84/02/42/1142840242.db2.gz DOFNOZIXPKHJPU-WMZOPIPTSA-N 0 3 318.461 2.045 20 30 DEEDHN CCOc1cccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1O ZINC001338287613 1142845520 /nfs/dbraw/zinc/84/55/20/1142845520.db2.gz FXQUACYHKXWWOA-KBPBESRZSA-N 0 3 303.406 2.209 20 30 DEEDHN O=C1C=C2CN(C[C@H](O)c3ccc(F)c(F)c3)CCC2S1 ZINC001253349515 1142864011 /nfs/dbraw/zinc/86/40/11/1142864011.db2.gz DXISKXDMBZJPSI-UONOGXRCSA-N 0 3 311.353 2.272 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2CCN(C(C)(C)CC)CC2)n1C ZINC001338657560 1142868929 /nfs/dbraw/zinc/86/89/29/1142868929.db2.gz KLYQIWSBAMJYIQ-UHFFFAOYSA-N 0 3 317.481 2.427 20 30 DEEDHN CC[C@@H](NC[C@@H](O)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC001253706299 1142894525 /nfs/dbraw/zinc/89/45/25/1142894525.db2.gz MINBCJVZQPEQLU-HUUCEWRRSA-N 0 3 304.390 2.302 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(CC)CCOCC ZINC001339069691 1142911726 /nfs/dbraw/zinc/91/17/26/1142911726.db2.gz XCDVLAWGFXJKHM-OAHLLOKOSA-N 0 3 321.469 2.136 20 30 DEEDHN COc1cccc(OC[C@@H](O)CNCc2cc(C#N)cs2)c1 ZINC001253983663 1143016958 /nfs/dbraw/zinc/01/69/58/1143016958.db2.gz IQKDHNBRRSVHFD-ZDUSSCGKSA-N 0 3 318.398 2.158 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)NCC(=O)N1CCCCC1 ZINC001339922611 1143179601 /nfs/dbraw/zinc/17/96/01/1143179601.db2.gz JJQHAWAKLMYUBJ-OAHLLOKOSA-N 0 3 311.470 2.193 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC001340127767 1143274882 /nfs/dbraw/zinc/27/48/82/1143274882.db2.gz CKOXSSNGYFYOQE-VBNZEHGJSA-N 0 3 308.397 2.438 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@]1(O)CCN(CC=C)C1)c1ccccc1 ZINC001278829100 1143371872 /nfs/dbraw/zinc/37/18/72/1143371872.db2.gz VBTBYFWZRYAGAY-IEBWSBKVSA-N 0 3 314.429 2.085 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCCn1cnc2ccccc21 ZINC001340794257 1143444235 /nfs/dbraw/zinc/44/42/35/1143444235.db2.gz XYKNUDNECUZBOU-CQSZACIVSA-N 0 3 300.406 2.226 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC001341370040 1143590614 /nfs/dbraw/zinc/59/06/14/1143590614.db2.gz CSSRFBYLRNVVNX-HZPDHXFCSA-N 0 3 307.438 2.063 20 30 DEEDHN C=CCOc1cccc(NC(=O)c2cc3n(n2)CCC[C@H]3N)c1 ZINC001341379092 1143592698 /nfs/dbraw/zinc/59/26/98/1143592698.db2.gz YDZBLELAIUGOCX-CQSZACIVSA-N 0 3 312.373 2.494 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC001341792304 1143707530 /nfs/dbraw/zinc/70/75/30/1143707530.db2.gz TYGGZQXIAAJFSQ-CVEARBPZSA-N 0 3 302.418 2.300 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2F)cc1Cl ZINC001341955984 1143751604 /nfs/dbraw/zinc/75/16/04/1143751604.db2.gz SQTLSJWWIFJLIX-KKZNHRDASA-N 0 3 310.712 2.354 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](CF)C1 ZINC001342247933 1143806227 /nfs/dbraw/zinc/80/62/27/1143806227.db2.gz PBNJPZOQXDYQSS-CABCVRRESA-N 0 3 321.444 2.459 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2F)CC1 ZINC001342306443 1143810516 /nfs/dbraw/zinc/81/05/16/1143810516.db2.gz JXOFLFFVZNSYCS-OAHLLOKOSA-N 0 3 323.387 2.297 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC001342318132 1143810872 /nfs/dbraw/zinc/81/08/72/1143810872.db2.gz IRLGTAZBFUREOQ-OAHLLOKOSA-N 0 3 321.469 2.345 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H](C)Oc1cccnc1)C(C)C ZINC001278918875 1143834101 /nfs/dbraw/zinc/83/41/01/1143834101.db2.gz XCBBHDGLWUSHRG-OAHLLOKOSA-N 0 3 305.422 2.204 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)CCCF)C(C)C ZINC001278921986 1143838702 /nfs/dbraw/zinc/83/87/02/1143838702.db2.gz DSDIDVZHWKARTB-CABCVRRESA-N 0 3 300.418 2.106 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CNCc1cnnn1C)C(C)(C)C ZINC001278996173 1143890461 /nfs/dbraw/zinc/89/04/61/1143890461.db2.gz UBRIWARCOQHOND-WMLDXEAASA-N 0 3 321.469 2.038 20 30 DEEDHN C=CCN1CCC[C@H](N[C@@H]2COc3ccc(Cl)cc3C2)C1=O ZINC001257952279 1143961309 /nfs/dbraw/zinc/96/13/09/1143961309.db2.gz HMTLWNVJAQNVQC-GJZGRUSLSA-N 0 3 320.820 2.410 20 30 DEEDHN CCC(CC)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1 ZINC001258323447 1143992326 /nfs/dbraw/zinc/99/23/26/1143992326.db2.gz PBWQBQMPXDZESC-AWEZNQCLSA-N 0 3 321.446 2.099 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001299696801 1144198048 /nfs/dbraw/zinc/19/80/48/1144198048.db2.gz WDKAZYLDUJBVLB-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc(-c2ccccc2)no1 ZINC001263069832 1144353290 /nfs/dbraw/zinc/35/32/90/1144353290.db2.gz CCCHDNSEIFXRKS-CYBMUJFWSA-N 0 3 300.362 2.036 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(N2CCOC2=O)ccc1F ZINC001263078085 1144353949 /nfs/dbraw/zinc/35/39/49/1144353949.db2.gz YCTUUGGADMMASN-ZDUSSCGKSA-N 0 3 321.352 2.404 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CC(=O)OCC)c1 ZINC001263086659 1144354681 /nfs/dbraw/zinc/35/46/81/1144354681.db2.gz KYWOXEJFDXZCAY-OAHLLOKOSA-N 0 3 304.390 2.414 20 30 DEEDHN C=CC[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2N)c1ccncc1 ZINC001263100671 1144355582 /nfs/dbraw/zinc/35/55/82/1144355582.db2.gz UOHBDUJMMUEIBS-KGLIPLIRSA-N 0 3 311.389 2.119 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2cccc(OC)c2)COC1 ZINC001263306283 1144367379 /nfs/dbraw/zinc/36/73/79/1144367379.db2.gz TZERBJYTJSFCOD-AWEZNQCLSA-N 0 3 316.357 2.159 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001263817532 1144399128 /nfs/dbraw/zinc/39/91/28/1144399128.db2.gz XMDBPDPGIHANEU-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001263872629 1144417693 /nfs/dbraw/zinc/41/76/93/1144417693.db2.gz QWMKACKCWHZLKN-ZQIUZPCESA-N 0 3 304.438 2.007 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cc(F)ccc1CC ZINC001264107473 1144468707 /nfs/dbraw/zinc/46/87/07/1144468707.db2.gz UKIPIBBQUMXYHC-UHFFFAOYSA-N 0 3 320.408 2.042 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCn2cnc3ccccc32)[C@H]1C ZINC001264151524 1144487215 /nfs/dbraw/zinc/48/72/15/1144487215.db2.gz ARWYTPJEFPAELA-CABCVRRESA-N 0 3 312.417 2.191 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Oc2cccnc2)[C@H]1C ZINC001264160102 1144493765 /nfs/dbraw/zinc/49/37/65/1144493765.db2.gz DYIYWDQRZZMPFI-YCPHGPKFSA-N 0 3 303.406 2.004 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001264382643 1144523385 /nfs/dbraw/zinc/52/33/85/1144523385.db2.gz MRJACGHOGDTQKY-OAHLLOKOSA-N 0 3 304.438 2.095 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC001279104396 1144529544 /nfs/dbraw/zinc/52/95/44/1144529544.db2.gz CTCUAUHOHVAHSP-HZPDHXFCSA-N 0 3 314.429 2.304 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccnn1C1CCCC1 ZINC001280821433 1144567274 /nfs/dbraw/zinc/56/72/74/1144567274.db2.gz HJWTVIYRBWOZNO-UHFFFAOYSA-N 0 3 302.422 2.025 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCCOc2ccccc2)[C@@H]1C ZINC001264695074 1144596132 /nfs/dbraw/zinc/59/61/32/1144596132.db2.gz WWTANOSZYXHGIF-UXLLHSPISA-N 0 3 315.417 2.194 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(CCOC)CCC2)CC(C)(C)C1 ZINC001264754928 1144607087 /nfs/dbraw/zinc/60/70/87/1144607087.db2.gz BJGYLCGXISKTRF-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2cccnc2)CC(C)(C)C1 ZINC001264753795 1144607416 /nfs/dbraw/zinc/60/74/16/1144607416.db2.gz OGNCIZAPGCTRKZ-KRWDZBQOSA-N 0 3 313.445 2.254 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1csc(-c2ccco2)n1 ZINC001491568145 1144614755 /nfs/dbraw/zinc/61/47/55/1144614755.db2.gz YEGMQSHIJZYJJL-LLVKDONJSA-N 0 3 303.387 2.134 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)CCCC#CC)CC1 ZINC001265195954 1144664655 /nfs/dbraw/zinc/66/46/55/1144664655.db2.gz SERIHMMSRUNZJL-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001265298923 1144686566 /nfs/dbraw/zinc/68/65/66/1144686566.db2.gz FABFOUPKPNSIDF-CQSZACIVSA-N 0 3 320.437 2.265 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001265298923 1144686571 /nfs/dbraw/zinc/68/65/71/1144686571.db2.gz FABFOUPKPNSIDF-CQSZACIVSA-N 0 3 320.437 2.265 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001265300997 1144687205 /nfs/dbraw/zinc/68/72/05/1144687205.db2.gz BBVINOSVKPMFFE-GOSISDBHSA-N 0 3 316.445 2.239 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccc(CC)cc2)C1 ZINC001265314709 1144690887 /nfs/dbraw/zinc/69/08/87/1144690887.db2.gz HEKMBPUROVXISE-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(COC)CCCC2)CC1 ZINC001265328166 1144694644 /nfs/dbraw/zinc/69/46/44/1144694644.db2.gz VIVFIAQAHOPNNX-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCOC1 ZINC001265415995 1144703120 /nfs/dbraw/zinc/70/31/20/1144703120.db2.gz JPYBLYMEYAZCFA-YESZJQIVSA-N 0 3 306.450 2.445 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CSCC#N)C2)c1 ZINC001265419236 1144703298 /nfs/dbraw/zinc/70/32/98/1144703298.db2.gz DYKCPIFEAJXSHZ-AWEZNQCLSA-N 0 3 321.421 2.081 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001265498707 1144707497 /nfs/dbraw/zinc/70/74/97/1144707497.db2.gz DRZBOMFIBBGVGJ-CADBVGFASA-N 0 3 308.425 2.321 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1cn(C)nc1C ZINC001265663308 1144724371 /nfs/dbraw/zinc/72/43/71/1144724371.db2.gz GIBMYSJEZAASKV-INIZCTEOSA-N 0 3 304.438 2.165 20 30 DEEDHN COCC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001265693131 1144729523 /nfs/dbraw/zinc/72/95/23/1144729523.db2.gz DUNDFADBAVPZGW-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ccc(C)o2)C1 ZINC001265699414 1144730294 /nfs/dbraw/zinc/73/02/94/1144730294.db2.gz FAXHWWWBGLRSTQ-HOTGVXAUSA-N 0 3 302.418 2.371 20 30 DEEDHN Cc1ccc(CN[C@H](C)CNC(=O)C#CC(C)(C)C)c(C)n1 ZINC001265772932 1144739493 /nfs/dbraw/zinc/73/94/93/1144739493.db2.gz MGXUCZABDGAZOX-CQSZACIVSA-N 0 3 301.434 2.342 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1cc2sccc2s1 ZINC001265789918 1144741141 /nfs/dbraw/zinc/74/11/41/1144741141.db2.gz BAIFUAOLCKCURJ-NSHDSACASA-N 0 3 322.455 2.321 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001265805161 1144742671 /nfs/dbraw/zinc/74/26/71/1144742671.db2.gz ZCWBQIHDFZHGRJ-JKSUJKDBSA-N 0 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N#Cc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1F ZINC000616747608 362927585 /nfs/dbraw/zinc/92/75/85/362927585.db2.gz IJLLWDNHOFLGEU-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(C#N)c[nH]1 ZINC000084070514 192399211 /nfs/dbraw/zinc/39/92/11/192399211.db2.gz ZLYPSRXOWDWAKL-UHFFFAOYSA-N 0 3 302.403 2.152 20 30 DEEDHN COCCOCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000175641760 186184130 /nfs/dbraw/zinc/18/41/30/186184130.db2.gz FGSPOUVEVAWRAJ-UHFFFAOYSA-N 0 3 304.390 2.064 20 30 DEEDHN O=C(CCNC(=O)c1cccs1)NC1CCN(C2CC2)CC1 ZINC000328990805 539912991 /nfs/dbraw/zinc/91/29/91/539912991.db2.gz VEWIOYIILOVTFF-UHFFFAOYSA-N 0 3 321.446 2.451 20 30 DEEDHN CS[C@H]1CN(C(=O)c2sccc2C#N)C[C@H]1N1CCCC1 ZINC000352465946 146545330 /nfs/dbraw/zinc/54/53/30/146545330.db2.gz RRTIJDPWBMJXIK-OLZOCXBDSA-N 0 3 321.471 2.272 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1 ZINC000015140436 354030419 /nfs/dbraw/zinc/03/04/19/354030419.db2.gz XYCZAMIWVSDVBJ-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)NCCN1CCC(C)CC1 ZINC000050092198 354367140 /nfs/dbraw/zinc/36/71/40/354367140.db2.gz QBTLAENJARBXLA-UHFFFAOYSA-N 0 3 316.405 2.420 20 30 DEEDHN N#Cc1ccc(CNCCc2nnc3n2CCCCC3)s1 ZINC000176945393 198640781 /nfs/dbraw/zinc/64/07/81/198640781.db2.gz SKJNCLHXBQKGIR-UHFFFAOYSA-N 0 3 301.419 2.270 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 ZINC000057171183 354559810 /nfs/dbraw/zinc/55/98/10/354559810.db2.gz SEFCKGDEEOHLCN-UHFFFAOYSA-N 0 3 313.401 2.237 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2nc3ccccc3[nH]2)CC1 ZINC000066515553 354719543 /nfs/dbraw/zinc/71/95/43/354719543.db2.gz SJJVOYFMCBFMRS-OAHLLOKOSA-N 0 3 324.428 2.475 20 30 DEEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)CSCC#N ZINC000066726259 354730608 /nfs/dbraw/zinc/73/06/08/354730608.db2.gz YQVPGCHGDDCGJB-UHFFFAOYSA-N 0 3 305.447 2.353 20 30 DEEDHN C[C@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000067593783 354769282 /nfs/dbraw/zinc/76/92/82/354769282.db2.gz RVSKTOJMMJDLJY-OAHLLOKOSA-N 0 3 314.433 2.207 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000066919079 354739294 /nfs/dbraw/zinc/73/92/94/354739294.db2.gz WCLLHXFXBAQUKN-OAHLLOKOSA-N 0 3 320.433 2.224 20 30 DEEDHN CN(C(=O)CN(CCO)C1CCCCC1)C1(C#N)CCCCC1 ZINC000071088662 354895507 /nfs/dbraw/zinc/89/55/07/354895507.db2.gz KZVWUHPVUUUWEZ-UHFFFAOYSA-N 0 3 321.465 2.298 20 30 DEEDHN C=CCSCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000073118628 354942707 /nfs/dbraw/zinc/94/27/07/354942707.db2.gz XKLHBGMKCDCRFF-UHFFFAOYSA-N 0 3 312.479 2.057 20 30 DEEDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000073883803 354989631 /nfs/dbraw/zinc/98/96/31/354989631.db2.gz GOXKDMGQZDXNEK-UHFFFAOYSA-N 0 3 321.446 2.052 20 30 DEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CC(=O)N2C ZINC000276984376 213220249 /nfs/dbraw/zinc/22/02/49/213220249.db2.gz URGXXGUIWHPZJI-GFCCVEGCSA-N 0 3 308.385 2.266 20 30 DEEDHN N#CC[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000595591170 358494299 /nfs/dbraw/zinc/49/42/99/358494299.db2.gz KCARMQDDNWPIQC-GDBMZVCRSA-N 0 3 304.438 2.339 20 30 DEEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nccnc1C#N ZINC000078674884 355274158 /nfs/dbraw/zinc/27/41/58/355274158.db2.gz YZMWHVHUHMBJDN-INIZCTEOSA-N 0 3 307.401 2.307 20 30 DEEDHN N#Cc1cc(F)ccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000373117294 283098902 /nfs/dbraw/zinc/09/89/02/283098902.db2.gz FCPQTSIDWDHIQJ-QZTJIDSGSA-N 0 3 317.408 2.430 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CCCN(CC)CC2)c1 ZINC000091174636 355585651 /nfs/dbraw/zinc/58/56/51/355585651.db2.gz JQSJBRIDVOZUJW-UHFFFAOYSA-N 0 3 301.390 2.258 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cnccc3C#N)CC2)C[C@@H](C)O1 ZINC000091478254 355598405 /nfs/dbraw/zinc/59/84/05/355598405.db2.gz YGKZIECWKPIPPF-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)c(F)c1 ZINC000171482736 356003735 /nfs/dbraw/zinc/00/37/35/356003735.db2.gz CVVHVAXUPKWCOF-UHFFFAOYSA-N 0 3 316.380 2.123 20 30 DEEDHN CCOc1ccccc1CN(C)CCC(=O)N(C)CCC#N ZINC000179192131 356017103 /nfs/dbraw/zinc/01/71/03/356017103.db2.gz HTYFUCJBYUCDBE-UHFFFAOYSA-N 0 3 303.406 2.279 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000182351135 356122712 /nfs/dbraw/zinc/12/27/12/356122712.db2.gz ZMNSYVZBTOTHDR-STQMWFEESA-N 0 3 306.435 2.344 20 30 DEEDHN COc1ccccc1COC[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595609486 358500672 /nfs/dbraw/zinc/50/06/72/358500672.db2.gz KROQVJSNSSUSPO-WBVHZDCISA-N 0 3 318.417 2.198 20 30 DEEDHN COc1cccc(COC[C@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000595609837 358500755 /nfs/dbraw/zinc/50/07/55/358500755.db2.gz PXZQCNFPRVAVOT-DOTOQJQBSA-N 0 3 318.417 2.198 20 30 DEEDHN COC[C@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C1CC1 ZINC000183432279 356172248 /nfs/dbraw/zinc/17/22/48/356172248.db2.gz YNKJLTNLMZJYJK-IFRCIOGXSA-N 0 3 321.465 2.320 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000182663899 356136746 /nfs/dbraw/zinc/13/67/46/356136746.db2.gz HHNSYNSWASCYIV-GDBMZVCRSA-N 0 3 300.406 2.110 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000182761869 356144617 /nfs/dbraw/zinc/14/46/17/356144617.db2.gz PQJBGKHBGYQBBJ-OAHLLOKOSA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCCOC1)C(C)C ZINC000193966048 356232077 /nfs/dbraw/zinc/23/20/77/356232077.db2.gz SZTDVDRJFQKEIL-IAGOWNOFSA-N 0 3 323.481 2.411 20 30 DEEDHN N#Cc1ccc(CN[C@H](CO)[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000356383059 283148277 /nfs/dbraw/zinc/14/82/77/283148277.db2.gz BQFTTYYBNFPMCO-KGLIPLIRSA-N 0 3 314.307 2.207 20 30 DEEDHN Cc1nc2sccn2c(=O)c1CCN1CCC[C@H](CC#N)C1 ZINC000595622435 358505145 /nfs/dbraw/zinc/50/51/45/358505145.db2.gz AKTZPKMMNURYAA-CYBMUJFWSA-N 0 3 316.430 2.233 20 30 DEEDHN COCC(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000618561974 363528287 /nfs/dbraw/zinc/52/82/87/363528287.db2.gz MCHNLMAYMNHOPM-ZFWWWQNUSA-N 0 3 301.390 2.443 20 30 DEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381349735 356671258 /nfs/dbraw/zinc/67/12/58/356671258.db2.gz HREDLSMKHCRXLP-VXGBXAGGSA-N 0 3 306.410 2.288 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCCO1 ZINC000495924925 356738785 /nfs/dbraw/zinc/73/87/85/356738785.db2.gz BQNPWSVGTXBZJZ-RRFJBIMHSA-N 0 3 323.437 2.294 20 30 DEEDHN Cc1cc(C)cc(OCCNCc2cnc3c(C#N)cnn3c2)c1 ZINC000578345076 356802281 /nfs/dbraw/zinc/80/22/81/356802281.db2.gz ZSSCSDHZOYEKGL-UHFFFAOYSA-N 0 3 321.384 2.386 20 30 DEEDHN N#CC1(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CCCC1 ZINC000579018239 356909059 /nfs/dbraw/zinc/90/90/59/356909059.db2.gz ZIOSUTOMFBSWGX-INIZCTEOSA-N 0 3 313.401 2.276 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCc2c1cccc2Cl ZINC000579810642 357034007 /nfs/dbraw/zinc/03/40/07/357034007.db2.gz CINKXBJMJFZZKF-MLGOLLRUSA-N 0 3 307.825 2.123 20 30 DEEDHN CN1CCC[C@@]2(CCN(c3cccc(C#N)c3[N+](=O)[O-])C2)C1 ZINC000579674330 357011748 /nfs/dbraw/zinc/01/17/48/357011748.db2.gz PSKAOMXJJYCURW-MRXNPFEDSA-N 0 3 300.362 2.389 20 30 DEEDHN N#Cc1nccc(NC[C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000581499101 357198904 /nfs/dbraw/zinc/19/89/04/357198904.db2.gz SUNDYESMGXDPOP-ZDUSSCGKSA-N 0 3 313.430 2.156 20 30 DEEDHN CCOc1ccc(OC[C@@H](O)CNCC(C)(C)CC#N)cc1 ZINC000581721653 357236932 /nfs/dbraw/zinc/23/69/32/357236932.db2.gz JCRBKMPNGLSKHJ-AWEZNQCLSA-N 0 3 306.406 2.354 20 30 DEEDHN COC(=O)c1csc([C@@H](C)NC2CCN(CC#N)CC2)c1 ZINC000586789883 357370480 /nfs/dbraw/zinc/37/04/80/357370480.db2.gz LDGGHFYOZHVUQX-LLVKDONJSA-N 0 3 307.419 2.173 20 30 DEEDHN CCCN(CCN1CCCCC1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411728246 283251868 /nfs/dbraw/zinc/25/18/68/283251868.db2.gz RIEOPOYQWZQTMA-MRXNPFEDSA-N 0 3 320.481 2.135 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000588289032 357405197 /nfs/dbraw/zinc/40/51/97/357405197.db2.gz LIGMVAZQVKDQAR-LLVKDONJSA-N 0 3 319.386 2.212 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)NCc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000590819844 357620121 /nfs/dbraw/zinc/62/01/21/357620121.db2.gz XVFARRHALOFRBV-HIFRSBDPSA-N 0 3 318.808 2.057 20 30 DEEDHN CSc1ccc([C@H](CNC(=O)NC[C@H](C)C#N)N(C)C)cc1 ZINC000590936271 357646124 /nfs/dbraw/zinc/64/61/24/357646124.db2.gz BMXKAYAHKVRDLF-DOMZBBRYSA-N 0 3 320.462 2.470 20 30 DEEDHN CSc1ccc([C@@H](CNC(=O)NC[C@H](C)C#N)N(C)C)cc1 ZINC000590936272 357647093 /nfs/dbraw/zinc/64/70/93/357647093.db2.gz BMXKAYAHKVRDLF-IUODEOHRSA-N 0 3 320.462 2.470 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCSc2c(F)cccc21 ZINC000591241231 357694306 /nfs/dbraw/zinc/69/43/06/357694306.db2.gz PJUFQQJKVAEMPT-SWLSCSKDSA-N 0 3 323.437 2.159 20 30 DEEDHN N#CC1CCC(CNC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000591310723 357704839 /nfs/dbraw/zinc/70/48/39/357704839.db2.gz GFCFXNAYTIPNHB-UHFFFAOYSA-N 0 3 313.405 2.179 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCN(C)C1 ZINC000591954129 357804616 /nfs/dbraw/zinc/80/46/16/357804616.db2.gz LFKBPOFEAVNCIS-HNNXBMFYSA-N 0 3 318.396 2.323 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)O2)CC1 ZINC000660598367 540310219 /nfs/dbraw/zinc/31/02/19/540310219.db2.gz XMFZCSBHVJKNBL-HOCLYGCPSA-N 0 3 309.454 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)OC[C@@H]2C)CC1 ZINC000660597173 540310273 /nfs/dbraw/zinc/31/02/73/540310273.db2.gz MEKCPBINDVTXNO-HNNXBMFYSA-N 0 3 321.465 2.380 20 30 DEEDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000179615269 199065029 /nfs/dbraw/zinc/06/50/29/199065029.db2.gz YWPIIXOZTXBNGA-OAHLLOKOSA-N 0 3 317.433 2.122 20 30 DEEDHN Cc1oc(NC(=O)CN(C)CCN2CCCCC2)c(C#N)c1C ZINC000593112557 358013497 /nfs/dbraw/zinc/01/34/97/358013497.db2.gz OSJBZOYRUINCSV-UHFFFAOYSA-N 0 3 318.421 2.124 20 30 DEEDHN CCC(C#N)C(=O)N1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000593665106 358119463 /nfs/dbraw/zinc/11/94/63/358119463.db2.gz CBBDPVMCIISTHG-SNPRPXQTSA-N 0 3 300.358 2.441 20 30 DEEDHN CC[C@H](C#N)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000593689145 358123115 /nfs/dbraw/zinc/12/31/15/358123115.db2.gz VVUDDKWVIGWWFJ-OAHLLOKOSA-N 0 3 315.417 2.326 20 30 DEEDHN CCC(C)(C)N1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000594020660 358191312 /nfs/dbraw/zinc/19/13/12/358191312.db2.gz KQORSJWHJPYZBT-CRAIPNDOSA-N 0 3 322.497 2.236 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1nc2ccccc2n1C ZINC000594439068 358270337 /nfs/dbraw/zinc/27/03/37/358270337.db2.gz NHWPKHNZJSIZBW-QWHCGFSZSA-N 0 3 313.405 2.162 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000594437781 358270622 /nfs/dbraw/zinc/27/06/22/358270622.db2.gz PGSKAFMNBFBITJ-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN N#Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)cc(N)c1[N+](=O)[O-] ZINC000594604413 358303481 /nfs/dbraw/zinc/30/34/81/358303481.db2.gz ZATPFKYIPQTMBM-GJZGRUSLSA-N 0 3 315.377 2.477 20 30 DEEDHN C=CCC1(NC(=O)Nc2ccnn2CCN(C)C)CCCC1 ZINC000667151626 540403677 /nfs/dbraw/zinc/40/36/77/540403677.db2.gz QJVYFQPSQLGSOL-UHFFFAOYSA-N 0 3 305.426 2.455 20 30 DEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000595661309 358514824 /nfs/dbraw/zinc/51/48/24/358514824.db2.gz YGXNDMQDAGMEFV-MNOVXSKESA-N 0 3 321.343 2.051 20 30 DEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000595661307 358514838 /nfs/dbraw/zinc/51/48/38/358514838.db2.gz YGXNDMQDAGMEFV-GHMZBOCLSA-N 0 3 321.343 2.051 20 30 DEEDHN Cc1ccccc1CN1CCCN(c2cc(C#N)cnn2)CC1 ZINC000596075502 358604374 /nfs/dbraw/zinc/60/43/74/358604374.db2.gz FDJXIXLENDWVHH-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN N#Cc1ccc(CCNC(=O)c2cccc3c2CCNC3)cc1 ZINC000595962585 358587395 /nfs/dbraw/zinc/58/73/95/358587395.db2.gz LDONUWJJLNZWLO-UHFFFAOYSA-N 0 3 305.381 2.176 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc2c(c1)CCCO2 ZINC000595990699 358590635 /nfs/dbraw/zinc/59/06/35/358590635.db2.gz CQPLFDOWNLHVGH-WFASDCNBSA-N 0 3 301.390 2.210 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596651218 358732738 /nfs/dbraw/zinc/73/27/38/358732738.db2.gz CCEYXTPQUKEASK-INIZCTEOSA-N 0 3 323.400 2.070 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596670997 358736978 /nfs/dbraw/zinc/73/69/78/358736978.db2.gz GTSGGEXPPMLSAA-PBHICJAKSA-N 0 3 314.433 2.082 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCCO[C@@H]1CCCCO1 ZINC000597675705 358976570 /nfs/dbraw/zinc/97/65/70/358976570.db2.gz FANMLTCOTFSSML-DLBZAZTESA-N 0 3 316.401 2.418 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)CNc1ccc(C#N)cc1 ZINC000598265376 359142091 /nfs/dbraw/zinc/14/20/91/359142091.db2.gz SNDZAWQDXVKUGX-OAHLLOKOSA-N 0 3 314.433 2.207 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000598585947 359249992 /nfs/dbraw/zinc/24/99/92/359249992.db2.gz BZFFURSDSMCAIO-INIZCTEOSA-N 0 3 315.417 2.051 20 30 DEEDHN COC(=O)CCN(Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598589762 359252148 /nfs/dbraw/zinc/25/21/48/359252148.db2.gz IWRJKPSLKOAEKH-INIZCTEOSA-N 0 3 318.417 2.352 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNC[C@@H](c1ccco1)N1CCCC1 ZINC000598703388 359297934 /nfs/dbraw/zinc/29/79/34/359297934.db2.gz HDQJPDYCYYCSPK-CABCVRRESA-N 0 3 305.422 2.307 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000598615525 359261716 /nfs/dbraw/zinc/26/17/16/359261716.db2.gz CJQMTDIAZCCXDX-AAEUAGOBSA-N 0 3 308.344 2.066 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000598622031 359264473 /nfs/dbraw/zinc/26/44/73/359264473.db2.gz XVGXXAHVRFMNHG-HRCADAONSA-N 0 3 306.381 2.234 20 30 DEEDHN N#Cc1cnc2c(Cl)cccc2c1NCCN1CC[C@H](O)C1 ZINC000599199853 359432157 /nfs/dbraw/zinc/43/21/57/359432157.db2.gz UBFLANVILXIDGV-LBPRGKRZSA-N 0 3 316.792 2.238 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1(C)COC1 ZINC000599571358 359530141 /nfs/dbraw/zinc/53/01/41/359530141.db2.gz DPBCTOFKSUVUPV-CSLYMUCUSA-N 0 3 321.465 2.274 20 30 DEEDHN N#Cc1cc(Cl)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000187132134 200066816 /nfs/dbraw/zinc/06/68/16/200066816.db2.gz QANPBUVJPPVEFN-AWEZNQCLSA-N 0 3 319.836 2.366 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(C3CCC3)cnn2C)CC1 ZINC000668369909 540655592 /nfs/dbraw/zinc/65/55/92/540655592.db2.gz IFBBMXGLRQBWMX-UHFFFAOYSA-N 0 3 316.449 2.458 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccccc1CC#N ZINC000601416742 360035466 /nfs/dbraw/zinc/03/54/66/360035466.db2.gz WZQVBBUKQJKPTO-CQSZACIVSA-N 0 3 323.462 2.151 20 30 DEEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(N3CCSCC3)c2)C1 ZINC000601302642 359999092 /nfs/dbraw/zinc/99/90/92/359999092.db2.gz UCOBKCCZWYUZIL-HIFRSBDPSA-N 0 3 302.447 2.417 20 30 DEEDHN N#CCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000601314268 360004516 /nfs/dbraw/zinc/00/45/16/360004516.db2.gz AGNZQEMMDMHVCM-UHFFFAOYSA-N 0 3 312.461 2.182 20 30 DEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CC1CCSCC1 ZINC000602483173 360400417 /nfs/dbraw/zinc/40/04/17/360400417.db2.gz HPCXUOJNLTZMNY-ZDUSSCGKSA-N 0 3 317.462 2.002 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000602570507 360438421 /nfs/dbraw/zinc/43/84/21/360438421.db2.gz BANSTSZJYVKQDE-KBPBESRZSA-N 0 3 307.438 2.074 20 30 DEEDHN CC(C)CC(=O)N1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602520357 360415099 /nfs/dbraw/zinc/41/50/99/360415099.db2.gz FNNFHZZIROUUEY-UHFFFAOYSA-N 0 3 300.406 2.080 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(=O)[nH]c1)C(C)C ZINC000668682234 540709265 /nfs/dbraw/zinc/70/92/65/540709265.db2.gz BGQKDSSRRUMMTR-INIZCTEOSA-N 0 3 317.433 2.145 20 30 DEEDHN N#Cc1cccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)n1 ZINC000602635988 360469644 /nfs/dbraw/zinc/46/96/44/360469644.db2.gz GTMBAEQJKPHUBU-ZWKOTPCHSA-N 0 3 311.360 2.348 20 30 DEEDHN CC[C@](C)(CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602632411 360468197 /nfs/dbraw/zinc/46/81/97/360468197.db2.gz SZEUNBJTFVJYDB-SJLPKXTDSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](CCC#N)CNc1ccc(C(=O)NCCN(C)C)cc1 ZINC000602721934 360517913 /nfs/dbraw/zinc/51/79/13/360517913.db2.gz VMNLRLOEUTVDRU-AWEZNQCLSA-N 0 3 302.422 2.330 20 30 DEEDHN CCOc1ccccc1CN1CCN(C(=O)C(C)C#N)[C@H](C)C1 ZINC000442894597 238089593 /nfs/dbraw/zinc/08/95/93/238089593.db2.gz IFTBLIMHKHUYSB-LSDHHAIUSA-N 0 3 315.417 2.278 20 30 DEEDHN N#Cc1ccc(CN2CCCN(c3cc(CO)ccn3)CC2)cc1 ZINC000603272096 360773016 /nfs/dbraw/zinc/77/30/16/360773016.db2.gz IVAJZLQYSVRDMR-UHFFFAOYSA-N 0 3 322.412 2.158 20 30 DEEDHN N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000603293795 360780794 /nfs/dbraw/zinc/78/07/94/360780794.db2.gz GEEVRWRPLFBJNR-GFCCVEGCSA-N 0 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QQJGNLWXUZJACO-KBAYOESNSA-N 0 3 314.429 2.367 20 30 DEEDHN N#Cc1cnccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000609786146 361338206 /nfs/dbraw/zinc/33/82/06/361338206.db2.gz FEOWAGMJNXLSFY-UHFFFAOYSA-N 0 3 320.396 2.226 20 30 DEEDHN CC(C#N)C(=O)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000609919793 361349788 /nfs/dbraw/zinc/34/97/88/361349788.db2.gz OTWLQNJAPNBDHS-AWEZNQCLSA-N 0 3 321.380 2.284 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610707741 361449644 /nfs/dbraw/zinc/44/96/44/361449644.db2.gz IJKHATITHGWTFV-IGCXYCKISA-N 0 3 312.417 2.401 20 30 DEEDHN CN1CC=C(CNC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000611429346 361599168 /nfs/dbraw/zinc/59/91/68/361599168.db2.gz BUEHANHVUKMCDD-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN CC[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCCO1 ZINC000281544188 216373742 /nfs/dbraw/zinc/37/37/42/216373742.db2.gz XCNNERKUDUIFIO-OAHLLOKOSA-N 0 3 301.390 2.388 20 30 DEEDHN CSCCCN(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000619623988 363843437 /nfs/dbraw/zinc/84/34/37/363843437.db2.gz KXEUPYZSAOTHEO-HNNXBMFYSA-N 0 3 308.447 2.177 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCN[C@@H](C(C)C)C2)cc1 ZINC000621159860 364288358 /nfs/dbraw/zinc/28/83/58/364288358.db2.gz TYZACEXUXXPTHT-QGZVFWFLSA-N 0 3 302.418 2.250 20 30 DEEDHN CC1(C)C[C@@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)(C)O1 ZINC000275428743 212327153 /nfs/dbraw/zinc/32/71/53/212327153.db2.gz HFYICLUOHNUGGF-OAHLLOKOSA-N 0 3 315.417 2.110 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc3c(c2)COC3)CC1 ZINC000676245867 541431383 /nfs/dbraw/zinc/43/13/83/541431383.db2.gz PDHMAJVXQWVJML-UHFFFAOYSA-N 0 3 315.417 2.166 20 30 DEEDHN CC(C)(CO)N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000676715759 541489635 /nfs/dbraw/zinc/48/96/35/541489635.db2.gz ITTOYHQKFBJOCO-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000450073381 241409920 /nfs/dbraw/zinc/40/99/20/241409920.db2.gz KLOAETOTEIITHK-UHFFFAOYSA-N 0 3 316.430 2.460 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000677802600 541629910 /nfs/dbraw/zinc/62/99/10/541629910.db2.gz UGGJWRQDXQXZCJ-OAHLLOKOSA-N 0 3 321.417 2.484 20 30 DEEDHN C=CCOc1cccc(NC(=O)c2cnn(CCN(C)C)c2)c1 ZINC000630815744 367861391 /nfs/dbraw/zinc/86/13/91/367861391.db2.gz HYRQPKPSHHAGJN-UHFFFAOYSA-N 0 3 314.389 2.262 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nc(C2CC2)no1)C(C)C ZINC000631323547 368147194 /nfs/dbraw/zinc/14/71/94/368147194.db2.gz DLPUNYVBTJPKFV-AWEZNQCLSA-N 0 3 318.421 2.375 20 30 DEEDHN C=CCC[C@H](O)CN(CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451714839 243354511 /nfs/dbraw/zinc/35/45/11/243354511.db2.gz QCUGMCPZHIHKNY-HOCLYGCPSA-N 0 3 318.417 2.015 20 30 DEEDHN CCC[C@]1(NCC(=O)N(C)C2(C#N)CCCCC2)CCOC1 ZINC000352826156 284090328 /nfs/dbraw/zinc/09/03/28/284090328.db2.gz AOLCOGJGOYZDDA-INIZCTEOSA-N 0 3 307.438 2.220 20 30 DEEDHN C=CCC[C@H](C(=O)NCC1(O)CCN(C)CC1)c1ccccc1 ZINC000275116874 212130028 /nfs/dbraw/zinc/13/00/28/212130028.db2.gz HCWAFNWKDKMWGR-KRWDZBQOSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCc1cc(CN2CCC[C@@H](C(=O)NC)C2)cc(OC)c1O ZINC000093360738 193237773 /nfs/dbraw/zinc/23/77/73/193237773.db2.gz NABFHHIPLUHSIV-OAHLLOKOSA-N 0 3 318.417 2.087 20 30 DEEDHN C=CCOc1ccc(CN(C)CCCC(=O)NC)cc1OC ZINC000093717843 193296217 /nfs/dbraw/zinc/29/62/17/193296217.db2.gz PGKOFDJPFOKIJJ-UHFFFAOYSA-N 0 3 306.406 2.218 20 30 DEEDHN C=CCCCN(C)CC(=O)NCc1ccc(OCCOC)cc1 ZINC000265487509 204651217 /nfs/dbraw/zinc/65/12/17/204651217.db2.gz BNJLGXMCUITYOE-UHFFFAOYSA-N 0 3 320.433 2.226 20 30 DEEDHN C=CCOCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000679504074 541865405 /nfs/dbraw/zinc/86/54/05/541865405.db2.gz ODYBYMZDYKXABN-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(COC)on1)C(C)C ZINC000266303158 205251454 /nfs/dbraw/zinc/25/14/54/205251454.db2.gz LJVIZGJCHQXDBT-MRXNPFEDSA-N 0 3 321.421 2.249 20 30 DEEDHN COC(=O)C1CCN(CCCNc2ccc(F)cc2C#N)CC1 ZINC000266445947 205353020 /nfs/dbraw/zinc/35/30/20/205353020.db2.gz WTUXIUCGXCJUCO-UHFFFAOYSA-N 0 3 319.380 2.384 20 30 DEEDHN CC[C@H]1CN(c2cc(Cl)ccc2C#N)CCN1C[C@H](C)O ZINC000266435817 205346079 /nfs/dbraw/zinc/34/60/79/205346079.db2.gz VERAIRJYVIOOJS-WFASDCNBSA-N 0 3 307.825 2.493 20 30 DEEDHN C#CCCCCNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000160045197 197381757 /nfs/dbraw/zinc/38/17/57/197381757.db2.gz LQTPOAZCFVDBSJ-UHFFFAOYSA-N 0 3 317.433 2.230 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(C)cc(C#N)c2)C[C@@H]1N(C)C ZINC000455958420 246859070 /nfs/dbraw/zinc/85/90/70/246859070.db2.gz RQZFOCOQFRAFJN-GJZGRUSLSA-N 0 3 318.446 2.376 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCCN(CC)CC1 ZINC000159847471 197367869 /nfs/dbraw/zinc/36/78/69/197367869.db2.gz AAEIFQCBLGFGCS-UHFFFAOYSA-N 0 3 317.433 2.489 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CO)[C@H](C)c1ccccc1 ZINC000680989356 542078713 /nfs/dbraw/zinc/07/87/13/542078713.db2.gz FICQOOMRCPUDDV-RYRKJORJSA-N 0 3 316.445 2.330 20 30 DEEDHN Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)ccc1OCCN(C)C ZINC000458207887 248205011 /nfs/dbraw/zinc/20/50/11/248205011.db2.gz IWHZILKANBTREV-GUYCJALGSA-N 0 3 301.390 2.424 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000492367586 249049197 /nfs/dbraw/zinc/04/91/97/249049197.db2.gz YCMCPOALUCOVON-LWULTOEVSA-N 0 3 315.442 2.075 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000274087310 211341470 /nfs/dbraw/zinc/34/14/70/211341470.db2.gz HYEQIRSIAZTAGI-DOTOQJQBSA-N 0 3 311.429 2.457 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)cc3[nH]cnc32)CC1 ZINC000106035804 194181020 /nfs/dbraw/zinc/18/10/20/194181020.db2.gz IOHMMJXEFROICQ-UHFFFAOYSA-N 0 3 316.380 2.472 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000106035804 194181023 /nfs/dbraw/zinc/18/10/23/194181023.db2.gz IOHMMJXEFROICQ-UHFFFAOYSA-N 0 3 316.380 2.472 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC000106036207 194181094 /nfs/dbraw/zinc/18/10/94/194181094.db2.gz GYLMFTSGIRCNTO-UHFFFAOYSA-N 0 3 313.405 2.037 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000106038605 194181250 /nfs/dbraw/zinc/18/12/50/194181250.db2.gz WVSJIULAEOVOBA-UHFFFAOYSA-N 0 3 303.362 2.365 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2OCC)CC1 ZINC000106037371 194181268 /nfs/dbraw/zinc/18/12/68/194181268.db2.gz NJYZYMCDUJEGFJ-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cnn(CC(F)(F)F)c2)nc(C)n1 ZINC000682499535 542307320 /nfs/dbraw/zinc/30/73/20/542307320.db2.gz VRZKQOITUHWKHJ-LLVKDONJSA-N 0 3 323.278 2.342 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cnn(CC(F)(F)F)c2)nc(C)n1 ZINC000682499537 542307634 /nfs/dbraw/zinc/30/76/34/542307634.db2.gz VRZKQOITUHWKHJ-NSHDSACASA-N 0 3 323.278 2.342 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC1(F)F ZINC000294543429 224079669 /nfs/dbraw/zinc/07/96/69/224079669.db2.gz RRXRGSIQXKACSO-AWEZNQCLSA-N 0 3 307.344 2.104 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)[C@@H]1CCC[C@H]1C ZINC000487948900 285036484 /nfs/dbraw/zinc/03/64/84/285036484.db2.gz FASUGOIOTSQELS-BZUAXINKSA-N 0 3 309.454 2.132 20 30 DEEDHN COC(=O)C(C)(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000340742202 533129353 /nfs/dbraw/zinc/12/93/53/533129353.db2.gz PBLKWPSPSIOFLL-HNNXBMFYSA-N 0 3 316.401 2.464 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NC[C@@H]3CCCOC3)C2=O)cc1 ZINC000541871101 285192974 /nfs/dbraw/zinc/19/29/74/285192974.db2.gz GFADGJDZSMYZDS-RDJZCZTQSA-N 0 3 313.401 2.070 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OCC(C)C)C2)CC1 ZINC000155595053 197070088 /nfs/dbraw/zinc/07/00/88/197070088.db2.gz PQRVNZZLURJIRO-KRWDZBQOSA-N 0 3 323.481 2.483 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000155173070 197028619 /nfs/dbraw/zinc/02/86/19/197028619.db2.gz LUVXRUBTMNFTPU-OAHLLOKOSA-N 0 3 314.429 2.088 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000560259638 291925629 /nfs/dbraw/zinc/92/56/29/291925629.db2.gz ZSOSKAWKGIUSIA-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN OC[C@@]1([C@@H](NCC#Cc2ccc(F)cc2)C2CC2)CCCO1 ZINC000339759679 285284161 /nfs/dbraw/zinc/28/41/61/285284161.db2.gz SPQQEDRXRIGPRX-ZWKOTPCHSA-N 0 3 303.377 2.087 20 30 DEEDHN C[C@@H]1CCC[C@@H](C)C1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289764129 221208138 /nfs/dbraw/zinc/20/81/38/221208138.db2.gz IGLPSEMQLDCPIR-CHWSQXEVSA-N 0 3 321.446 2.141 20 30 DEEDHN CSC1(CN2CCN(c3ccc(C#N)cn3)CC2)CCC1 ZINC000356065254 133063524 /nfs/dbraw/zinc/06/35/24/133063524.db2.gz ZJLKHQIFEZXDNS-UHFFFAOYSA-N 0 3 302.447 2.361 20 30 DEEDHN Cc1nc(SCC(=O)NC[C@H](C)N(C)C)c(C#N)c(C)c1C ZINC000357864604 133106026 /nfs/dbraw/zinc/10/60/26/133106026.db2.gz OVYOHXUIZWWLSA-JTQLQIEISA-N 0 3 320.462 2.037 20 30 DEEDHN N#Cc1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000368533083 133277138 /nfs/dbraw/zinc/27/71/38/133277138.db2.gz XGMCWYRFSJOOKL-HOTGVXAUSA-N 0 3 305.809 2.247 20 30 DEEDHN Cn1cncc1CCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000563357325 292049146 /nfs/dbraw/zinc/04/91/46/292049146.db2.gz SMXVZCHJIJWIPU-UHFFFAOYSA-N 0 3 323.444 2.042 20 30 DEEDHN C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000564203368 292088322 /nfs/dbraw/zinc/08/83/22/292088322.db2.gz OSRXXLIAVQDTMG-VNHYZAJKSA-N 0 3 321.446 2.141 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1C ZINC000352593853 404480339 /nfs/dbraw/zinc/48/03/39/404480339.db2.gz XETVULBGKRGHLX-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN Cn1cc(CNCCc2nccn2Cc2ccccc2)cc1C#N ZINC000190744272 145047314 /nfs/dbraw/zinc/04/73/14/145047314.db2.gz PYNFXOXGRFKSOO-UHFFFAOYSA-N 0 3 319.412 2.474 20 30 DEEDHN N#Cc1cc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1F ZINC000550502526 285872078 /nfs/dbraw/zinc/87/20/78/285872078.db2.gz KEWIHUMSLDYDIY-IRXDYDNUSA-N 0 3 304.365 2.107 20 30 DEEDHN N#Cc1cnc2ccccc2c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000320766944 145375429 /nfs/dbraw/zinc/37/54/29/145375429.db2.gz AKSPMFKUURGHKI-CABCVRRESA-N 0 3 308.385 2.382 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cscc2C#N)C[C@@H](C)C1 ZINC000346179028 146031678 /nfs/dbraw/zinc/03/16/78/146031678.db2.gz GGEWTNKYFSBKLB-YWPYICTPSA-N 0 3 303.431 2.422 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000349059497 146345490 /nfs/dbraw/zinc/34/54/90/146345490.db2.gz CGLMYUASNJJSPA-INIZCTEOSA-N 0 3 305.397 2.240 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000349255769 146363193 /nfs/dbraw/zinc/36/31/93/146363193.db2.gz CPYVOAXGRKMLBB-SECBINFHSA-N 0 3 312.320 2.231 20 30 DEEDHN C[C@H](C(=O)Nc1ccnn1CCN(C)C)c1cccc(C#N)c1 ZINC000359502094 147338729 /nfs/dbraw/zinc/33/87/29/147338729.db2.gz UPFGPPZFUQEEJD-ZDUSSCGKSA-N 0 3 311.389 2.059 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccco1 ZINC000359555649 147351105 /nfs/dbraw/zinc/35/11/05/147351105.db2.gz KWTAUKLITRJJFN-SMDDNHRTSA-N 0 3 300.362 2.339 20 30 DEEDHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000329901676 404487299 /nfs/dbraw/zinc/48/72/99/404487299.db2.gz OUMDDZOEUVCRQK-HOCLYGCPSA-N 0 3 307.438 2.218 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000370400954 148014315 /nfs/dbraw/zinc/01/43/15/148014315.db2.gz SUJUEEUFPLATNL-GFCCVEGCSA-N 0 3 301.365 2.444 20 30 DEEDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000375419889 148370406 /nfs/dbraw/zinc/37/04/06/148370406.db2.gz NECCOZSCZPQBMF-PMPSAXMXSA-N 0 3 306.431 2.372 20 30 DEEDHN CC1(C)CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000565829171 292184737 /nfs/dbraw/zinc/18/47/37/292184737.db2.gz XZRCGQLBXHFOQL-CQSZACIVSA-N 0 3 321.446 2.143 20 30 DEEDHN CCCCN(C)CCNC(=O)CSc1ccc(C#N)cc1 ZINC000112309008 401737988 /nfs/dbraw/zinc/73/79/88/401737988.db2.gz SIFIDPIISJHATH-UHFFFAOYSA-N 0 3 305.447 2.498 20 30 DEEDHN COc1cccc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC000126776448 401708040 /nfs/dbraw/zinc/70/80/40/401708040.db2.gz GWKUTNRORAYYSY-UHFFFAOYSA-N 0 3 309.369 2.086 20 30 DEEDHN CC[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000076072425 401781035 /nfs/dbraw/zinc/78/10/35/401781035.db2.gz YXCCDEKXSQBOCB-GOEBONIOSA-N 0 3 306.431 2.125 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(OC)cc2)CC1 ZINC000078545116 401855153 /nfs/dbraw/zinc/85/51/53/401855153.db2.gz BSRKCBNNKSWSLG-UHFFFAOYSA-N 0 3 317.433 2.187 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(OC)c2)CC1 ZINC000078545600 401855235 /nfs/dbraw/zinc/85/52/35/401855235.db2.gz NRMGVKVFEIUTTE-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)[C@H](C)CC ZINC000046171375 401967341 /nfs/dbraw/zinc/96/73/41/401967341.db2.gz LZQNGHYYFUCTAN-CQSZACIVSA-N 0 3 303.406 2.299 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccccc1C#N)N1CCC[C@@H](C)C1 ZINC000046953665 401976492 /nfs/dbraw/zinc/97/64/92/401976492.db2.gz QEEBRVBSNMHRIP-CABCVRRESA-N 0 3 315.417 2.174 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000120371657 401988399 /nfs/dbraw/zinc/98/83/99/401988399.db2.gz GLZGNYWFTZZTHK-HNNXBMFYSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCC2CCOCC2)CC1 ZINC000150746176 401993623 /nfs/dbraw/zinc/99/36/23/401993623.db2.gz JBFHTZHPYKXHDK-UHFFFAOYSA-N 0 3 323.481 2.485 20 30 DEEDHN COCCOC[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000121076027 402013684 /nfs/dbraw/zinc/01/36/84/402013684.db2.gz MSPGQCVSLXFABX-OAHLLOKOSA-N 0 3 304.390 2.052 20 30 DEEDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000049969629 402023659 /nfs/dbraw/zinc/02/36/59/402023659.db2.gz BGYSQTAHPIKKIH-OAHLLOKOSA-N 0 3 314.433 2.159 20 30 DEEDHN C[C@H](CO[C@@H]1CCOC1)NCc1ccc(N(C)CCC#N)cc1 ZINC000151220774 402024146 /nfs/dbraw/zinc/02/41/46/402024146.db2.gz FSNVOQDVRVFBFG-CRAIPNDOSA-N 0 3 317.433 2.320 20 30 DEEDHN C=CCN(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000121292487 402025749 /nfs/dbraw/zinc/02/57/49/402025749.db2.gz ODKONYWMGOGTSS-UHFFFAOYSA-N 0 3 301.390 2.260 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@]1(C)CCOC1)C(C)C ZINC000122873999 402099395 /nfs/dbraw/zinc/09/93/95/402099395.db2.gz IITGGGMPEFIYES-RDJZCZTQSA-N 0 3 309.454 2.163 20 30 DEEDHN CCCNC(=O)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000060467050 402105031 /nfs/dbraw/zinc/10/50/31/402105031.db2.gz KABUSBAKRFKHFE-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C#CCOc1ccccc1CNC[C@@H](C(C)C)N1CCOCC1 ZINC000066350816 402131505 /nfs/dbraw/zinc/13/15/05/402131505.db2.gz SRYJAUJHYXUYNN-SFHVURJKSA-N 0 3 316.445 2.145 20 30 DEEDHN C=CCCC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000104439023 402203076 /nfs/dbraw/zinc/20/30/76/402203076.db2.gz ZJQOHPHDQLVSHS-UHFFFAOYSA-N 0 3 315.461 2.229 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCOCC1 ZINC000107064600 402226123 /nfs/dbraw/zinc/22/61/23/402226123.db2.gz DVVAIGXMMPBIFO-ZDUSSCGKSA-N 0 3 301.390 2.244 20 30 DEEDHN C#CCCCCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000154941750 402238898 /nfs/dbraw/zinc/23/88/98/402238898.db2.gz GIIJIPQOKFUEAV-UHFFFAOYSA-N 0 3 305.422 2.465 20 30 DEEDHN C#CCNC(=O)[C@H](C)NCC1(c2cccc(OC)c2)CCCC1 ZINC000108407192 402252973 /nfs/dbraw/zinc/25/29/73/402252973.db2.gz DZGCBMAGSXIOHM-HNNXBMFYSA-N 0 3 314.429 2.235 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CSCc2ccncc2)CC1 ZINC000106035778 402211910 /nfs/dbraw/zinc/21/19/10/402211910.db2.gz JDVAFJYIBDGTIZ-UHFFFAOYSA-N 0 3 319.474 2.472 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCOCC1 ZINC000155819258 402267847 /nfs/dbraw/zinc/26/78/47/402267847.db2.gz QAMMQXDCCGJQJL-AWEZNQCLSA-N 0 3 307.438 2.076 20 30 DEEDHN C=CC[C@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176083980 402277037 /nfs/dbraw/zinc/27/70/37/402277037.db2.gz ZBZINDDXRUWRTM-ZDUSSCGKSA-N 0 3 303.406 2.076 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1Cc1ccccc1 ZINC000176121592 402280969 /nfs/dbraw/zinc/28/09/69/402280969.db2.gz SKXHKGSELOLWAN-HOCLYGCPSA-N 0 3 317.458 2.412 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccccn2)CC1 ZINC000177296815 402388381 /nfs/dbraw/zinc/38/83/81/402388381.db2.gz SHTAPPDYCFSERI-UHFFFAOYSA-N 0 3 302.422 2.264 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000185722513 402371920 /nfs/dbraw/zinc/37/19/20/402371920.db2.gz XIFCOFCEAJHWBA-SNVBAGLBSA-N 0 3 317.357 2.230 20 30 DEEDHN CCOC(=O)N1CC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000185774593 402375748 /nfs/dbraw/zinc/37/57/48/402375748.db2.gz ZJPQIISJLYLYBX-HIFRSBDPSA-N 0 3 317.389 2.298 20 30 DEEDHN N#C[C@H]1CCC[C@@H](NCc2cccnc2N2CCOCC2)C1 ZINC000185774393 402375955 /nfs/dbraw/zinc/37/59/55/402375955.db2.gz AXPFLKWMHYMXKZ-GOEBONIOSA-N 0 3 300.406 2.090 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCc2nnc(C(C)C)o2)CC1 ZINC000176780204 402336651 /nfs/dbraw/zinc/33/66/51/402336651.db2.gz XWBOFUGIOITNOW-UHFFFAOYSA-N 0 3 320.437 2.282 20 30 DEEDHN C=CCN(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000161771988 402398323 /nfs/dbraw/zinc/39/83/23/402398323.db2.gz IRAPYQVBYHUSJF-UHFFFAOYSA-N 0 3 301.434 2.475 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000162165153 402411679 /nfs/dbraw/zinc/41/16/79/402411679.db2.gz HQNXRZVKQCESHO-ROUUACIJSA-N 0 3 322.412 2.309 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000237771836 402421002 /nfs/dbraw/zinc/42/10/02/402421002.db2.gz HXBWAJRDHGREGT-QGZVFWFLSA-N 0 3 301.390 2.073 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)CC)cc1 ZINC000236951917 402389540 /nfs/dbraw/zinc/38/95/40/402389540.db2.gz SQPYVUDHIULEQQ-HNNXBMFYSA-N 0 3 301.390 2.177 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)N(C)CCC#N)C1(CC)CC ZINC000247202567 402560262 /nfs/dbraw/zinc/56/02/62/402560262.db2.gz XFOFBMMCDMNYTF-QLFBSQMISA-N 0 3 309.454 2.320 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)cc2OC)C1(C)C ZINC000190016670 402570733 /nfs/dbraw/zinc/57/07/33/402570733.db2.gz JMUCPHQYGPGSGV-AEFFLSMTSA-N 0 3 318.417 2.223 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CC(F)(F)F ZINC000188944771 402528619 /nfs/dbraw/zinc/52/86/19/402528619.db2.gz OXLBZUGPASEJEX-AWEZNQCLSA-N 0 3 316.323 2.320 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=COCCC1 ZINC000171600080 402599821 /nfs/dbraw/zinc/59/98/21/402599821.db2.gz NGJFPDBMERJSHL-UHFFFAOYSA-N 0 3 313.401 2.143 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171714701 402613835 /nfs/dbraw/zinc/61/38/35/402613835.db2.gz HHOLJIDXHJNNOX-UHFFFAOYSA-N 0 3 307.325 2.114 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000171722864 402614886 /nfs/dbraw/zinc/61/48/86/402614886.db2.gz QYKCOQMTCTUKFW-OAHLLOKOSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000171727954 402615690 /nfs/dbraw/zinc/61/56/90/402615690.db2.gz MEAWXKMVRJUUFR-UHFFFAOYSA-N 0 3 324.428 2.181 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](COC)c2ccccc2)CC1 ZINC000171732489 402616199 /nfs/dbraw/zinc/61/61/99/402616199.db2.gz VVXUDYUJGSSUOK-KRWDZBQOSA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCOc1cccc(CNCCN2CCOC(C)(C)C2)c1 ZINC000171767318 402620279 /nfs/dbraw/zinc/62/02/79/402620279.db2.gz VQEGMNXKRCAMLP-UHFFFAOYSA-N 0 3 304.434 2.452 20 30 DEEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1 ZINC000181521799 402647966 /nfs/dbraw/zinc/64/79/66/402647966.db2.gz DQNCSLSWJAKUGS-HZPDHXFCSA-N 0 3 312.417 2.424 20 30 DEEDHN CN(C[C@H]1CCCOC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174142878 402728527 /nfs/dbraw/zinc/72/85/27/402728527.db2.gz YVIKCGPZTWDRGI-NVXWUHKLSA-N 0 3 313.401 2.022 20 30 DEEDHN CN(C[C@@H]1CCCOC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174142862 402728584 /nfs/dbraw/zinc/72/85/84/402728584.db2.gz YVIKCGPZTWDRGI-DOTOQJQBSA-N 0 3 313.401 2.022 20 30 DEEDHN N#CCC[C@H](C#N)CN1CCC(CCCN2CCOCC2)CC1 ZINC000182968163 402730073 /nfs/dbraw/zinc/73/00/73/402730073.db2.gz JKLNRBQCGVOPNS-GOSISDBHSA-N 0 3 318.465 2.254 20 30 DEEDHN N#Cc1ccc(CNCCc2cc(F)cc3c2OCOC3)o1 ZINC000174349525 402737436 /nfs/dbraw/zinc/73/74/36/402737436.db2.gz KCEPOLUGCLJHBQ-UHFFFAOYSA-N 0 3 302.305 2.489 20 30 DEEDHN C#CCCCCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000183459362 402769359 /nfs/dbraw/zinc/76/93/59/402769359.db2.gz ZRWBDSAZYSGNBY-GOSISDBHSA-N 0 3 314.429 2.063 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](CO)c1cccc(Br)c1 ZINC000183912566 402804516 /nfs/dbraw/zinc/80/45/16/402804516.db2.gz PLCLXBYLTMCSHV-KGLIPLIRSA-N 0 3 314.223 2.399 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000263884572 402816464 /nfs/dbraw/zinc/81/64/64/402816464.db2.gz OJBQYRIWUQGRFN-ZIAGYGMSSA-N 0 3 303.406 2.122 20 30 DEEDHN CN(C)c1noc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000194930654 402823403 /nfs/dbraw/zinc/82/34/03/402823403.db2.gz OSHMBHIRGWQZBR-HNNXBMFYSA-N 0 3 311.389 2.387 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C12CCCC2 ZINC000347682742 286278155 /nfs/dbraw/zinc/27/81/55/286278155.db2.gz CZFIJDOFXXROHH-BFYDXBDKSA-N 0 3 321.465 2.368 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264291788 402863995 /nfs/dbraw/zinc/86/39/95/402863995.db2.gz RVISZZZEDQETII-MRXNPFEDSA-N 0 3 318.417 2.187 20 30 DEEDHN Cc1cc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)o1 ZINC000278835218 402876777 /nfs/dbraw/zinc/87/67/77/402876777.db2.gz UMMQGGDSUYHCQD-YZSSSTSJSA-N 0 3 303.362 2.073 20 30 DEEDHN COC(=O)CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000265199052 402900309 /nfs/dbraw/zinc/90/03/09/402900309.db2.gz ABDPSLDXDPDCMX-UHFFFAOYSA-N 0 3 301.390 2.024 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)[C@H]2C1 ZINC000272509618 402946032 /nfs/dbraw/zinc/94/60/32/402946032.db2.gz WVLZCEOPFTWSBF-NHYWBVRUSA-N 0 3 302.353 2.255 20 30 DEEDHN C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272859928 402960830 /nfs/dbraw/zinc/96/08/30/402960830.db2.gz IDKXDCSUEHQCBL-CQSZACIVSA-N 0 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GUJYPDKVYWPJGQ-LRDDRELGSA-N 0 3 321.384 2.160 20 30 DEEDHN C=CCCCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000267235206 403027932 /nfs/dbraw/zinc/02/79/32/403027932.db2.gz WTDCHMPXRUXBSZ-UHFFFAOYSA-N 0 3 316.449 2.066 20 30 DEEDHN CC1(C)[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]2CCO[C@@H]21 ZINC000280284887 402983686 /nfs/dbraw/zinc/98/36/86/402983686.db2.gz DWBZKHOESRIHJQ-NXOAAHMSSA-N 0 3 323.396 2.170 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3nccnc32)CC1 ZINC000273253090 402987600 /nfs/dbraw/zinc/98/76/00/402987600.db2.gz JKVDHPIAYFECNS-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280905931 403048836 /nfs/dbraw/zinc/04/88/36/403048836.db2.gz UAZLVQQUYMSGPQ-CRAIPNDOSA-N 0 3 324.428 2.231 20 30 DEEDHN Cc1cc(C#N)nc(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000280918214 403049986 /nfs/dbraw/zinc/04/99/86/403049986.db2.gz FREBKUBTORCEDA-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000268153786 403055199 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ZINC001354866665 1151949992 /nfs/dbraw/zinc/94/99/92/1151949992.db2.gz ZPKHAFAAOOXGFD-ZBFHGGJFSA-N 0 3 309.454 2.499 20 30 DEEDHN CCOC(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285398766 403287629 /nfs/dbraw/zinc/28/76/29/403287629.db2.gz DVCJQQJQUWJMKG-UHFFFAOYSA-N 0 3 320.364 2.494 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)cc1 ZINC000285646489 403347568 /nfs/dbraw/zinc/34/75/68/403347568.db2.gz DLZISBMFWNCZDH-GOEBONIOSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)CCc2ccccc2O)CC1 ZINC000345496803 403356659 /nfs/dbraw/zinc/35/66/59/403356659.db2.gz JULWGBDZCRLDOK-UHFFFAOYSA-N 0 3 317.433 2.227 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)s1 ZINC000285473760 403305340 /nfs/dbraw/zinc/30/53/40/403305340.db2.gz KRPRYPJEQZBUEL-ZDUSSCGKSA-N 0 3 318.446 2.390 20 30 DEEDHN C=CCCN(C)CC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000342738941 403328720 /nfs/dbraw/zinc/32/87/20/403328720.db2.gz NKRPCOXPEXYOLG-UHFFFAOYSA-N 0 3 315.461 2.147 20 30 DEEDHN CO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000331264440 403365173 /nfs/dbraw/zinc/36/51/73/403365173.db2.gz GPMNMQGQSBEWHG-YPMHNXCESA-N 0 3 307.419 2.448 20 30 DEEDHN CO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000331264439 403365289 /nfs/dbraw/zinc/36/52/89/403365289.db2.gz GPMNMQGQSBEWHG-WCQYABFASA-N 0 3 307.419 2.448 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(CO)cc3)C2)nc1 ZINC000292263550 403337520 /nfs/dbraw/zinc/33/75/20/403337520.db2.gz ROQSVIOJZFLGJI-KRWDZBQOSA-N 0 3 309.369 2.099 20 30 DEEDHN N#CCCOCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292783627 403377896 /nfs/dbraw/zinc/37/78/96/403377896.db2.gz KUKGWHYOELHSRK-UHFFFAOYSA-N 0 3 319.361 2.368 20 30 DEEDHN COc1ccc([C@@H](CNC(=O)C(C)C#N)N2CCCCC2)cc1 ZINC000345673930 403431460 /nfs/dbraw/zinc/43/14/60/403431460.db2.gz XEEGIJYPISSTRY-RHSMWYFYSA-N 0 3 315.417 2.498 20 30 DEEDHN CN1CC=C(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285927475 403412725 /nfs/dbraw/zinc/41/27/25/403412725.db2.gz XLWHJFBPJFVARV-UHFFFAOYSA-N 0 3 315.392 2.353 20 30 DEEDHN C#CCNC(=O)CCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000293215321 403417588 /nfs/dbraw/zinc/41/75/88/403417588.db2.gz VFBRTPZGXPDFLS-RHSMWYFYSA-N 0 3 302.443 2.305 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCN(C)CC1)C(C)C ZINC000298654596 403433222 /nfs/dbraw/zinc/43/32/22/403433222.db2.gz GFMXTGZTRUZQIP-KRWDZBQOSA-N 0 3 322.497 2.032 20 30 DEEDHN CC#CCCNC(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000345782024 403482949 /nfs/dbraw/zinc/48/29/49/403482949.db2.gz IWPLGFBZNADUFT-RYUDHWBXSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000293719230 403547679 /nfs/dbraw/zinc/54/76/79/403547679.db2.gz FMGBIXUBBFWNJC-UHFFFAOYSA-N 0 3 316.426 2.073 20 30 DEEDHN C#CCNC(=O)CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000293562911 403505352 /nfs/dbraw/zinc/50/53/52/403505352.db2.gz MHWPMENWDGNHNO-UXHICEINSA-N 0 3 322.408 2.190 20 30 DEEDHN COC(=O)[C@@H]1CSCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000332203949 403513768 /nfs/dbraw/zinc/51/37/68/403513768.db2.gz DEUCCQCHZYSBSB-HNNXBMFYSA-N 0 3 304.415 2.205 20 30 DEEDHN COC(=O)[C@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000346514429 403592089 /nfs/dbraw/zinc/59/20/89/403592089.db2.gz UUDDEUSVXVFMDA-CRAIPNDOSA-N 0 3 314.385 2.171 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnc(-c2ccco2)s1 ZINC000293903361 403595056 /nfs/dbraw/zinc/59/50/56/403595056.db2.gz FJKMZBCPXQXFIK-UHFFFAOYSA-N 0 3 303.387 2.088 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000346848829 403605627 /nfs/dbraw/zinc/60/56/27/403605627.db2.gz OGNOUBCEXDBIFW-OALUTQOASA-N 0 3 322.408 2.479 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1csc2ccccc21 ZINC000293795993 403565800 /nfs/dbraw/zinc/56/58/00/403565800.db2.gz MYDMFMAFGHBGEW-UHFFFAOYSA-N 0 3 322.455 2.135 20 30 DEEDHN CC(C#N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000347044503 403613101 /nfs/dbraw/zinc/61/31/01/403613101.db2.gz YGSJDYBJCLYNEH-NSHDSACASA-N 0 3 318.352 2.098 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ncsc1-c1ccccc1 ZINC000294000453 403620745 /nfs/dbraw/zinc/62/07/45/403620745.db2.gz OUAQLBQLXDKMAT-UHFFFAOYSA-N 0 3 313.426 2.495 20 30 DEEDHN C=CC[C@H](C(=O)N1CCCN([C@H](C)CO)CC1)c1ccccc1 ZINC000347201758 403621237 /nfs/dbraw/zinc/62/12/37/403621237.db2.gz FHVQLCSEEPOMDC-AEFFLSMTSA-N 0 3 316.445 2.261 20 30 DEEDHN CCc1nc(CN2CCC(CNC(=O)C(C)C#N)CC2)cs1 ZINC000347120158 403616729 /nfs/dbraw/zinc/61/67/29/403616729.db2.gz XIDFYDXDGBDJMQ-GFCCVEGCSA-N 0 3 320.462 2.193 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnc(-c2ccccc2)nc1C ZINC000294013336 403624470 /nfs/dbraw/zinc/62/44/70/403624470.db2.gz PVKYGULQDPEIPA-UHFFFAOYSA-N 0 3 322.412 2.137 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000294187070 403667656 /nfs/dbraw/zinc/66/76/56/403667656.db2.gz PICPMVUGMQAQIB-LSCADSNKSA-N 0 3 315.417 2.225 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000294283950 403692995 /nfs/dbraw/zinc/69/29/95/403692995.db2.gz BEFGGNJTFZTPOI-UHFFFAOYSA-N 0 3 302.418 2.396 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCN1C ZINC000343581365 403649450 /nfs/dbraw/zinc/64/94/50/403649450.db2.gz ZBMLTURWPZXHML-CZUORRHYSA-N 0 3 315.417 2.315 20 30 DEEDHN C[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@H](c1ccccc1)N(C)C ZINC000288031751 403712623 /nfs/dbraw/zinc/71/26/23/403712623.db2.gz MWHNYFADDDGYGM-IIAWOOMASA-N 0 3 302.422 2.479 20 30 DEEDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CCN(C2CC2)C1 ZINC000294897833 403737417 /nfs/dbraw/zinc/73/74/17/403737417.db2.gz HXIMGWPONOLSPP-GFCCVEGCSA-N 0 3 300.362 2.387 20 30 DEEDHN COC[C@]1(C(=O)OC)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000295240819 403808369 /nfs/dbraw/zinc/80/83/69/403808369.db2.gz YAMRQDQENZWFPV-DYVFJYSZSA-N 0 3 302.374 2.131 20 30 DEEDHN Cc1cnn(-c2ccc(C(=O)C(C#N)c3ccncn3)cc2)c1 ZINC000354471673 403821068 /nfs/dbraw/zinc/82/10/68/403821068.db2.gz OLTQYACAWREZGQ-OAHLLOKOSA-N 0 3 303.325 2.461 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000295284795 403830407 /nfs/dbraw/zinc/83/04/07/403830407.db2.gz HZBRLRDTRXSNQR-OAHLLOKOSA-N 0 3 312.413 2.255 20 30 DEEDHN C=CCC[C@@H](O)CN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000305106098 403833370 /nfs/dbraw/zinc/83/33/70/403833370.db2.gz ZIZFDYPHJDZVBX-OAHLLOKOSA-N 0 3 316.401 2.328 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)N2CCC(F)(C#N)CC2)c1 ZINC000343887429 403776799 /nfs/dbraw/zinc/77/67/99/403776799.db2.gz CIRRMOYOHUTMGF-UHFFFAOYSA-N 0 3 318.396 2.285 20 30 DEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347740679 403838211 /nfs/dbraw/zinc/83/82/11/403838211.db2.gz NODNOETWYCIZNV-LLVKDONJSA-N 0 3 303.318 2.124 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CCO)C2CCCCC2)CC1 ZINC000305162323 403858055 /nfs/dbraw/zinc/85/80/55/403858055.db2.gz ROXPBNGCFVTSLX-QGZVFWFLSA-N 0 3 323.481 2.267 20 30 DEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1 ZINC000361960453 403913041 /nfs/dbraw/zinc/91/30/41/403913041.db2.gz AWMPOCMJKKUACL-LBPRGKRZSA-N 0 3 306.325 2.467 20 30 DEEDHN COCCOCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000362002223 403915124 /nfs/dbraw/zinc/91/51/24/403915124.db2.gz HHMAFMPRHCAAAU-HNNXBMFYSA-N 0 3 311.341 2.130 20 30 DEEDHN C[C@H]1C[C@H](CO)CCN1CCC(=O)Nc1sccc1C#N ZINC000344122776 403924869 /nfs/dbraw/zinc/92/48/69/403924869.db2.gz DZSKFJLPNOXXHW-NWDGAFQWSA-N 0 3 307.419 2.041 20 30 DEEDHN CO[C@H](C)CN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289847149 404003933 /nfs/dbraw/zinc/00/39/33/404003933.db2.gz PTENJSCNVANTNJ-CQSZACIVSA-N 0 3 313.405 2.325 20 30 DEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000289861828 404004480 /nfs/dbraw/zinc/00/44/80/404004480.db2.gz QYMINGPZMKIRDR-XJKSGUPXSA-N 0 3 301.390 2.138 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cnc(C2OCCO2)s1 ZINC000289939833 404010064 /nfs/dbraw/zinc/01/00/64/404010064.db2.gz ZKAGDYNYMAYKEV-WCQYABFASA-N 0 3 310.419 2.259 20 30 DEEDHN N#CC1(NC(=O)CN(CCO)CC2CCCCC2)CCCCC1 ZINC000362594814 403972552 /nfs/dbraw/zinc/97/25/52/403972552.db2.gz WYJDSKQINQRXOS-UHFFFAOYSA-N 0 3 321.465 2.204 20 30 DEEDHN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H](C)O ZINC000348699952 404093952 /nfs/dbraw/zinc/09/39/52/404093952.db2.gz AYABAJYPVWCRKC-CQSZACIVSA-N 0 3 313.405 2.061 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(CCN(C)C)Cc1ccco1 ZINC000290260061 404102574 /nfs/dbraw/zinc/10/25/74/404102574.db2.gz ADCOPEPDSOQBDH-UHFFFAOYSA-N 0 3 310.397 2.394 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccnc(C#N)n2)C1 ZINC000323943315 404097178 /nfs/dbraw/zinc/09/71/78/404097178.db2.gz URDYKDVCTULZMN-OAHLLOKOSA-N 0 3 307.401 2.307 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCC[C@@H]1OC(F)F ZINC000348459796 404070845 /nfs/dbraw/zinc/07/08/45/404070845.db2.gz SNYDSESQLWSURO-XQQFMLRXSA-N 0 3 302.365 2.325 20 30 DEEDHN CN(Cc1ccc(F)c(C#N)c1)C(C)(C)CN1CCOCC1 ZINC000412088465 404123920 /nfs/dbraw/zinc/12/39/20/404123920.db2.gz HTXDTELADGSUSG-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN C[C@H]1[C@H](CO)CCCN1CCC(=O)Nc1sccc1C#N ZINC000412088456 404124810 /nfs/dbraw/zinc/12/48/10/404124810.db2.gz PLPDGVFZTAEEQK-AAEUAGOBSA-N 0 3 307.419 2.041 20 30 DEEDHN C[C@@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ncccn1 ZINC000328688757 404130041 /nfs/dbraw/zinc/13/00/41/404130041.db2.gz HTNZFJFWEKPBHW-MNOVXSKESA-N 0 3 303.366 2.084 20 30 DEEDHN CC[C@](C)(C#N)C(=O)N(C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000354972211 404133052 /nfs/dbraw/zinc/13/30/52/404133052.db2.gz HZIGFUSXBCMQLM-LZLYRXPVSA-N 0 3 314.433 2.473 20 30 DEEDHN COC(=O)[C@@]1(C)CCCN(CCOc2ccccc2C#N)C1 ZINC000412091800 404126598 /nfs/dbraw/zinc/12/65/98/404126598.db2.gz CJCJDPSPGSLTGZ-KRWDZBQOSA-N 0 3 302.374 2.212 20 30 DEEDHN C[C@H](C[S@@](C)=O)N(C)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290551568 404216549 /nfs/dbraw/zinc/21/65/49/404216549.db2.gz ZBRKTSIGMAUKNR-JLCFBVMHSA-N 0 3 319.474 2.226 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296382563 404222644 /nfs/dbraw/zinc/22/26/44/404222644.db2.gz TWEPWZGZJDWBJY-IACUBPJLSA-N 0 3 317.414 2.105 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H](O)[C@@H]2CCOC2)ccc1OC ZINC000344479498 404168873 /nfs/dbraw/zinc/16/88/73/404168873.db2.gz KZBQKPPSRCBPJT-CVEARBPZSA-N 0 3 321.417 2.137 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000344480576 404169453 /nfs/dbraw/zinc/16/94/53/404169453.db2.gz GLAUJGYTMRVZQD-LXTVHRRPSA-N 0 3 321.465 2.367 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000349744213 404182489 /nfs/dbraw/zinc/18/24/89/404182489.db2.gz MDIUIJBRLGMPHJ-XOKHGSTOSA-N 0 3 311.385 2.266 20 30 DEEDHN CN1C[C@H](NC(=O)COC[C@@H]2CCOC2)[C@@H](c2ccccc2)C1 ZINC000329019371 404202786 /nfs/dbraw/zinc/20/27/86/404202786.db2.gz LHBULRNOHZVGQC-OIISXLGYSA-N 0 3 318.417 2.094 20 30 DEEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCc3occc32)N(C)C1 ZINC000329030423 404206962 /nfs/dbraw/zinc/20/69/62/404206962.db2.gz LDPDWVQMTRIUPF-KCQAQPDRSA-N 0 3 321.421 2.222 20 30 DEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000329133230 404240009 /nfs/dbraw/zinc/24/00/09/404240009.db2.gz YXHQZPIZBYBPKJ-LLVKDONJSA-N 0 3 316.409 2.168 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](O)C2CC2)C1 ZINC000329208995 404265745 /nfs/dbraw/zinc/26/57/45/404265745.db2.gz YGCMKXQKZPLPFL-COXVUDFISA-N 0 3 317.433 2.096 20 30 DEEDHN CC(C)(C(=O)N[C@H]1CCN(C2CC2)C1)c1cc(F)cc(C#N)c1 ZINC000350143062 404329724 /nfs/dbraw/zinc/32/97/24/404329724.db2.gz LVONWEWKDRHUMF-HNNXBMFYSA-N 0 3 315.392 2.328 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000296536066 404295011 /nfs/dbraw/zinc/29/50/11/404295011.db2.gz DVMJIMFJEMVPRY-UHFFFAOYSA-N 0 3 309.360 2.379 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1=CCN(C)CC1 ZINC000329360982 404314083 /nfs/dbraw/zinc/31/40/83/404314083.db2.gz YHQYATKZLOIUGU-ARLBYUKCSA-N 0 3 319.449 2.098 20 30 DEEDHN CC[C@@H](C)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000296750840 404317853 /nfs/dbraw/zinc/31/78/53/404317853.db2.gz BDKNWEAJDVSRFP-CRAIPNDOSA-N 0 3 324.428 2.183 20 30 DEEDHN C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C1=CCN(C)CC1 ZINC000329517479 404362931 /nfs/dbraw/zinc/36/29/31/404362931.db2.gz PIUNNAOKTRBZBI-JSGCOSHPSA-N 0 3 307.438 2.240 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnccc1C#N ZINC000342107837 404372275 /nfs/dbraw/zinc/37/22/75/404372275.db2.gz RTGDEKYRJNUCLJ-MGPQQGTHSA-N 0 3 300.406 2.049 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)c1 ZINC000370221505 404373230 /nfs/dbraw/zinc/37/32/30/404373230.db2.gz UZDIQKWIYRQEDS-KRWDZBQOSA-N 0 3 322.412 2.323 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000296983358 404399994 /nfs/dbraw/zinc/39/99/94/404399994.db2.gz SFFIEXIAEKDLTJ-OAHLLOKOSA-N 0 3 302.422 2.129 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)CNc1cccc(C#N)c1 ZINC000342188082 404430742 /nfs/dbraw/zinc/43/07/42/404430742.db2.gz BSDZYTLZZLZXCL-UHFFFAOYSA-N 0 3 314.433 2.305 20 30 DEEDHN C[C@@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)N1CCCCCC1 ZINC000329956606 404507572 /nfs/dbraw/zinc/50/75/72/404507572.db2.gz PBWYHBHXZBBGIL-BARDWOONSA-N 0 3 307.438 2.217 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000414126754 404521429 /nfs/dbraw/zinc/52/14/29/404521429.db2.gz PCTQBRRBDAQRGD-ROUUACIJSA-N 0 3 313.445 2.420 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000297072014 404437944 /nfs/dbraw/zinc/43/79/44/404437944.db2.gz YUYIIMVWAPEMMX-INIZCTEOSA-N 0 3 317.408 2.280 20 30 DEEDHN Cc1nc(C)c(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)s1 ZINC000329806532 404458384 /nfs/dbraw/zinc/45/83/84/404458384.db2.gz NZDMWCNVWOPVJQ-NOZJJQNGSA-N 0 3 308.451 2.246 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000330037796 404534726 /nfs/dbraw/zinc/53/47/26/404534726.db2.gz ZKWKSMSUUSKMJC-OIISXLGYSA-N 0 3 315.417 2.257 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330060837 404541394 /nfs/dbraw/zinc/54/13/94/404541394.db2.gz NIMSOGOXWMRAKQ-HUUCEWRRSA-N 0 3 309.454 2.466 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000345104958 404551505 /nfs/dbraw/zinc/55/15/05/404551505.db2.gz JQVMQEIFMGPWPE-KGLIPLIRSA-N 0 3 310.417 2.144 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccnnc1)C(C)C ZINC000297319420 404551802 /nfs/dbraw/zinc/55/18/02/404551802.db2.gz CZEFZAGSIYSTKS-HNNXBMFYSA-N 0 3 303.410 2.297 20 30 DEEDHN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@H](N2CCCCC2)C1 ZINC000330114595 404556617 /nfs/dbraw/zinc/55/66/17/404556617.db2.gz DZYUYPZVNCCHHJ-LSDHHAIUSA-N 0 3 317.437 2.261 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@@H]1C[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330188884 404579103 /nfs/dbraw/zinc/57/91/03/404579103.db2.gz LLQGLHDHPOBPGN-FMKPAKJESA-N 0 3 320.437 2.153 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365416041 404653062 /nfs/dbraw/zinc/65/30/62/404653062.db2.gz ZQYSGKFKNLBJHR-HNNXBMFYSA-N 0 3 307.438 2.030 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[C@@H]1CCCO1 ZINC000342565670 404653266 /nfs/dbraw/zinc/65/32/66/404653266.db2.gz HNHVGXDGTBHPBE-CABCVRRESA-N 0 3 307.438 2.218 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](n2cccn2)C1 ZINC000291976216 404608179 /nfs/dbraw/zinc/60/81/79/404608179.db2.gz VYLHULSEZYDJNS-OAHLLOKOSA-N 0 3 312.373 2.089 20 30 DEEDHN CC[C@]1(CO)CCCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000330277915 404611068 /nfs/dbraw/zinc/61/10/68/404611068.db2.gz OYRDIRLKAFRKQJ-YOEHRIQHSA-N 0 3 309.454 2.035 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000330277974 404612975 /nfs/dbraw/zinc/61/29/75/404612975.db2.gz OZZVLQHANQQGSI-YCPHGPKFSA-N 0 3 320.437 2.247 20 30 DEEDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000351525714 404625239 /nfs/dbraw/zinc/62/52/39/404625239.db2.gz TVPSMMZVVXGNPJ-ZBFHGGJFSA-N 0 3 321.808 2.291 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000330552121 404687252 /nfs/dbraw/zinc/68/72/52/404687252.db2.gz FGQPUIPPRWTLCV-CABCVRRESA-N 0 3 314.433 2.301 20 30 DEEDHN CCOC(=O)c1ccc(C#N)c(SC[C@H]2CCN(C)C2)n1 ZINC000352903158 404687665 /nfs/dbraw/zinc/68/76/65/404687665.db2.gz RNQKYBUCSPQOPN-NSHDSACASA-N 0 3 305.403 2.174 20 30 DEEDHN CN(C)[C@H](CNS(=O)(=O)CCCCC#N)C1CCCCC1 ZINC000353057945 404733762 /nfs/dbraw/zinc/73/37/62/404733762.db2.gz XOEHLTTXAURXGC-OAHLLOKOSA-N 0 3 315.483 2.110 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)[C@H](C)C#N)c(C)c2)CC1 ZINC000357791125 404743621 /nfs/dbraw/zinc/74/36/21/404743621.db2.gz FZONQHBNKHKTOP-CQSZACIVSA-N 0 3 300.406 2.235 20 30 DEEDHN CSc1nnc(CCCNC(=O)C(C)C#N)n1C1CCCC1 ZINC000357818293 404744746 /nfs/dbraw/zinc/74/47/46/404744746.db2.gz HKGGHPDCKMAFKL-LLVKDONJSA-N 0 3 321.450 2.324 20 30 DEEDHN C=CCc1cc(CN[C@H]2CCOC[C@@H]2OCC)cc(OC)c1O ZINC000353189293 404764582 /nfs/dbraw/zinc/76/45/82/404764582.db2.gz UUOONCUNWGBWEZ-RDJZCZTQSA-N 0 3 321.417 2.413 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H](COC(F)F)C2)c1 ZINC000353025220 404723633 /nfs/dbraw/zinc/72/36/33/404723633.db2.gz RACGLXUHFUZTCF-ZDUSSCGKSA-N 0 3 323.343 2.448 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000357020695 404724388 /nfs/dbraw/zinc/72/43/88/404724388.db2.gz GARQJSGVLLQEJO-SOLBZPMBSA-N 0 3 318.461 2.179 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CNCCC2(F)F)cc1OC ZINC000415009315 404787524 /nfs/dbraw/zinc/78/75/24/404787524.db2.gz XDEPNTIRZDZMJY-OAHLLOKOSA-N 0 3 312.360 2.347 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000360780815 404837647 /nfs/dbraw/zinc/83/76/47/404837647.db2.gz JACAVBZKCRPRJR-HNNXBMFYSA-N 0 3 304.438 2.121 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCOCC2(CC2)C1 ZINC000360095470 404818212 /nfs/dbraw/zinc/81/82/12/404818212.db2.gz AWOJJNPMEMPOIJ-KRWDZBQOSA-N 0 3 317.429 2.267 20 30 DEEDHN CC(C)CN1CCO[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429889 404829147 /nfs/dbraw/zinc/82/91/47/404829147.db2.gz VDHATYIIXGECBB-MJGOQNOKSA-N 0 3 313.445 2.492 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOc2cccc(C)c2)CC1 ZINC000358780178 404775281 /nfs/dbraw/zinc/77/52/81/404775281.db2.gz PHTFBRYMYRGSSH-UHFFFAOYSA-N 0 3 317.433 2.323 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCSC1 ZINC000353555713 404864814 /nfs/dbraw/zinc/86/48/14/404864814.db2.gz BJIBRCDYTXPZGG-INIZCTEOSA-N 0 3 317.458 2.202 20 30 DEEDHN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(C#N)s2)cn1 ZINC000378374648 404946512 /nfs/dbraw/zinc/94/65/12/404946512.db2.gz FPYONSPSYUGKPG-CJNGLKHVSA-N 0 3 316.430 2.441 20 30 DEEDHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424103495 405007763 /nfs/dbraw/zinc/00/77/63/405007763.db2.gz QSYORFWYQPOGOG-HUUCEWRRSA-N 0 3 303.406 2.208 20 30 DEEDHN COc1ccccc1[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424115007 405011368 /nfs/dbraw/zinc/01/13/68/405011368.db2.gz SWBIQSJHMJSYQO-HUUCEWRRSA-N 0 3 301.390 2.380 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000424116789 405011723 /nfs/dbraw/zinc/01/17/23/405011723.db2.gz YCLXYUAOXTYUNX-KGLIPLIRSA-N 0 3 314.414 2.370 20 30 DEEDHN COc1ccc([C@@H]2CCN(C(=O)[C@@H](N)CCCC#N)C2)cc1 ZINC000424117429 405012812 /nfs/dbraw/zinc/01/28/12/405012812.db2.gz YRPJSEPIQHCGGX-ZBFHGGJFSA-N 0 3 301.390 2.032 20 30 DEEDHN CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H](N)CCCC#N ZINC000424144378 405021640 /nfs/dbraw/zinc/02/16/40/405021640.db2.gz XKDLXZHMQZEMSR-INIZCTEOSA-N 0 3 314.433 2.266 20 30 DEEDHN C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000379646295 405028544 /nfs/dbraw/zinc/02/85/44/405028544.db2.gz FDOVMRWPUJGKHD-HOCLYGCPSA-N 0 3 307.401 2.235 20 30 DEEDHN COC[C@@H](C)Nc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424177120 405030980 /nfs/dbraw/zinc/03/09/80/405030980.db2.gz UCKYRCZEXFFXLW-OLZOCXBDSA-N 0 3 304.394 2.093 20 30 DEEDHN C=C(C)CS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000435432930 404980696 /nfs/dbraw/zinc/98/06/96/404980696.db2.gz PDSOTKMLDQZFCN-ZIAGYGMSSA-N 0 3 302.484 2.238 20 30 DEEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000424077305 404996699 /nfs/dbraw/zinc/99/66/99/404996699.db2.gz BGCJHMSSAFQRDV-YOEHRIQHSA-N 0 3 317.433 2.496 20 30 DEEDHN C[C@@H](C#N)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435636101 405000285 /nfs/dbraw/zinc/00/02/85/405000285.db2.gz KDAKFDTWPKJXRA-GOEBONIOSA-N 0 3 323.400 2.428 20 30 DEEDHN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424088263 405001121 /nfs/dbraw/zinc/00/11/21/405001121.db2.gz TVJLMTCSRHGSCZ-GFCCVEGCSA-N 0 3 308.769 2.258 20 30 DEEDHN CN(C)C1(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000416310411 405099632 /nfs/dbraw/zinc/09/96/32/405099632.db2.gz ZWKMZLMGFYWERX-UHFFFAOYSA-N 0 3 303.381 2.185 20 30 DEEDHN CC#CCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000361423270 405067447 /nfs/dbraw/zinc/06/74/47/405067447.db2.gz BCCMGZWXAGSNMJ-UHFFFAOYSA-N 0 3 323.506 2.451 20 30 DEEDHN Cc1nc(C(=O)N2CCCN(CC3CCC3)CC2)ccc1C#N ZINC000407999135 405087108 /nfs/dbraw/zinc/08/71/08/405087108.db2.gz TURVWEFRNFCSPK-UHFFFAOYSA-N 0 3 312.417 2.210 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCSC1 ZINC000354284069 405140356 /nfs/dbraw/zinc/14/03/56/405140356.db2.gz LMMCOJOVZRWYQC-MRXNPFEDSA-N 0 3 317.458 2.202 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000437473524 405201280 /nfs/dbraw/zinc/20/12/80/405201280.db2.gz MMEOSOJHASDFPE-XIRDDKMYSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000437930542 405225209 /nfs/dbraw/zinc/22/52/09/405225209.db2.gz JHHDZLFFGUNOCR-HOTGVXAUSA-N 0 3 311.470 2.197 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)CN(C)C ZINC000454586749 405367511 /nfs/dbraw/zinc/36/75/11/405367511.db2.gz UJCHWWQSRWVSAF-UHFFFAOYSA-N 0 3 304.394 2.419 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCc2ccc(C#N)c(F)c2)CCC1 ZINC000455551397 405426035 /nfs/dbraw/zinc/42/60/35/405426035.db2.gz XPCFESPLUIZCLF-UHFFFAOYSA-N 0 3 318.396 2.323 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CCCN2C)c(C#N)c1C ZINC000421016073 405430161 /nfs/dbraw/zinc/43/01/61/405430161.db2.gz XSVXNUDWOPEPQM-GXTWGEPZSA-N 0 3 318.421 2.121 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000429719092 405445235 /nfs/dbraw/zinc/44/52/35/405445235.db2.gz GITBYAJYKRPQAX-OAHLLOKOSA-N 0 3 321.469 2.231 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)NCc1cccc(C)c1 ZINC000429722252 405446335 /nfs/dbraw/zinc/44/63/35/405446335.db2.gz SJIIRLVGNOUHLV-UHFFFAOYSA-N 0 3 303.450 2.051 20 30 DEEDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000492053447 405470657 /nfs/dbraw/zinc/47/06/57/405470657.db2.gz ZTBGQMBWSAUAER-BJIFSAINSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000430662109 405483865 /nfs/dbraw/zinc/48/38/65/405483865.db2.gz RIVZKHKPWMVHQC-NVXWUHKLSA-N 0 3 302.418 2.358 20 30 DEEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000430743556 405501165 /nfs/dbraw/zinc/50/11/65/405501165.db2.gz LBSQOIJVTWSNRR-ZDUSSCGKSA-N 0 3 321.446 2.281 20 30 DEEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C#N)cn1 ZINC000557623907 405614794 /nfs/dbraw/zinc/61/47/94/405614794.db2.gz HFNLTSDMPMFJJV-UHFFFAOYSA-N 0 3 300.406 2.291 20 30 DEEDHN CN1CC=C(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000557273155 405590567 /nfs/dbraw/zinc/59/05/67/405590567.db2.gz PTFSPEWJLJFOOW-GOSISDBHSA-N 0 3 324.428 2.497 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H](C)CC(=O)NC)ccc1OC ZINC000449598088 405633487 /nfs/dbraw/zinc/63/34/87/405633487.db2.gz AVJQLESGKFTOLV-ZDUSSCGKSA-N 0 3 306.406 2.264 20 30 DEEDHN COCCN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[C@H](C)C1 ZINC000580552078 405641390 /nfs/dbraw/zinc/64/13/90/405641390.db2.gz OUEFWOWIMDAOQP-BBRMVZONSA-N 0 3 313.405 2.238 20 30 DEEDHN C=CCOc1ccc(CN2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc1 ZINC000449642583 405654851 /nfs/dbraw/zinc/65/48/51/405654851.db2.gz GMNWHBDIJSFRDY-CVEARBPZSA-N 0 3 300.402 2.447 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494244593 405669578 /nfs/dbraw/zinc/66/95/78/405669578.db2.gz KDDQOKIFAWNXDS-XGWLTEMNSA-N 0 3 324.371 2.153 20 30 DEEDHN CC1(C)CCCN1CCNC(=O)c1ncc(C#N)cc1Cl ZINC000457057287 405673261 /nfs/dbraw/zinc/67/32/61/405673261.db2.gz OTGUVAXZYNNZQK-UHFFFAOYSA-N 0 3 306.797 2.211 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457101262 405699787 /nfs/dbraw/zinc/69/97/87/405699787.db2.gz XSBGJVQQDKKXCO-CQSZACIVSA-N 0 3 303.406 2.201 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000459043720 405711796 /nfs/dbraw/zinc/71/17/96/405711796.db2.gz PDVFNVPQTBMPBZ-JJTUDDRGSA-N 0 3 321.465 2.092 20 30 DEEDHN CC[C@@H]1CN(CCN[C@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000494469829 405706012 /nfs/dbraw/zinc/70/60/12/405706012.db2.gz UZEWSXGTTKAMBH-CZUORRHYSA-N 0 3 305.397 2.459 20 30 DEEDHN N#CCCCOc1cccc(CNC[C@@H]2CCCC(=O)N2)c1 ZINC000433192622 405894489 /nfs/dbraw/zinc/89/44/89/405894489.db2.gz HDUPHECDJJPNHR-HNNXBMFYSA-N 0 3 301.390 2.127 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495782923 405933909 /nfs/dbraw/zinc/93/39/09/405933909.db2.gz AMGHHJYBPANNLS-MGPQQGTHSA-N 0 3 311.426 2.150 20 30 DEEDHN CC[C@@H](C)N[C@H](CNC(=O)NCC1(C#N)CC1)c1ccco1 ZINC000561523676 405934380 /nfs/dbraw/zinc/93/43/80/405934380.db2.gz UQFHJDLUFDWBLM-CHWSQXEVSA-N 0 3 304.394 2.312 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000495877514 405938403 /nfs/dbraw/zinc/93/84/03/405938403.db2.gz QUVTYTMRCMSEGX-BDAKNGLRSA-N 0 3 323.315 2.108 20 30 DEEDHN COC(=O)C(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433377170 405938370 /nfs/dbraw/zinc/93/83/70/405938370.db2.gz VLOCTMXXVXVXFT-AWEZNQCLSA-N 0 3 302.374 2.074 20 30 DEEDHN COCCN(CCCSCC#N)Cc1c(C)nn(C)c1C ZINC000459562202 405956308 /nfs/dbraw/zinc/95/63/08/405956308.db2.gz FODCJCASQZXZNE-UHFFFAOYSA-N 0 3 310.467 2.132 20 30 DEEDHN CCNc1nc(NC(C)(C)C)nc(N2CCC(CC#N)CC2)n1 ZINC000561268286 405915609 /nfs/dbraw/zinc/91/56/09/405915609.db2.gz GKCDGBIAQXXSLA-UHFFFAOYSA-N 0 3 317.441 2.066 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCCN1CCOC1=O ZINC000495527892 405920234 /nfs/dbraw/zinc/92/02/34/405920234.db2.gz IDYKZXSLXOAGDX-UHFFFAOYSA-N 0 3 322.792 2.284 20 30 DEEDHN CC[C@@H](C)NC(=O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433320857 405922181 /nfs/dbraw/zinc/92/21/81/405922181.db2.gz TXRNQZAWMMGPSQ-ZBFHGGJFSA-N 0 3 315.417 2.180 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncnc2c1CCC2 ZINC000531842372 406014192 /nfs/dbraw/zinc/01/41/92/406014192.db2.gz VDBVVUDHYWIFDV-UHFFFAOYSA-N 0 3 321.428 2.405 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1csc(-c2ccncc2)n1 ZINC000565713828 406082092 /nfs/dbraw/zinc/08/20/92/406082092.db2.gz BEWKNKGHEYLMSB-LLVKDONJSA-N 0 3 301.375 2.165 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000567215935 406095131 /nfs/dbraw/zinc/09/51/31/406095131.db2.gz QCZIUZOECTVOOE-SJORKVTESA-N 0 3 317.433 2.281 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507220990 406053216 /nfs/dbraw/zinc/05/32/16/406053216.db2.gz CSEDMCMYHGUQEI-BYCMXARLSA-N 0 3 301.415 2.005 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000562650944 406053247 /nfs/dbraw/zinc/05/32/47/406053247.db2.gz JEMSQHOZIWEBCA-MRXNPFEDSA-N 0 3 302.418 2.252 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCC2(C#N)CC2)CN1Cc1ccccc1 ZINC000562936983 406056209 /nfs/dbraw/zinc/05/62/09/406056209.db2.gz ASEHDVLNXCIMSO-GOEBONIOSA-N 0 3 312.417 2.252 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC2(C#N)CCC2)C[C@@H](C)C1 ZINC000563629312 406061116 /nfs/dbraw/zinc/06/11/16/406061116.db2.gz YCMJVIZJWSIYCH-ZNMIVQPWSA-N 0 3 304.438 2.052 20 30 DEEDHN N#CC1(NC(=O)CN2CCC[C@@H]2[C@@H]2CCCOC2)CCCCC1 ZINC000564915941 406068783 /nfs/dbraw/zinc/06/87/83/406068783.db2.gz GHVBWYIERGWJSU-HZPDHXFCSA-N 0 3 319.449 2.220 20 30 DEEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000518927877 406166435 /nfs/dbraw/zinc/16/64/35/406166435.db2.gz WMZQHYSDPMZIOY-FGTMMUONSA-N 0 3 309.413 2.358 20 30 DEEDHN C=CCN(CC1CCCCC1)C(=O)NCCOCCN(C)C ZINC000471647614 406105247 /nfs/dbraw/zinc/10/52/47/406105247.db2.gz QQPNBXPRGSABEZ-UHFFFAOYSA-N 0 3 311.470 2.343 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000516864259 406107139 /nfs/dbraw/zinc/10/71/39/406107139.db2.gz VJWSVHXSCSVIBI-CZUORRHYSA-N 0 3 304.438 2.194 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000517231538 406124453 /nfs/dbraw/zinc/12/44/53/406124453.db2.gz CMSOSFPKDGGCNR-USXIJHARSA-N 0 3 312.417 2.102 20 30 DEEDHN CN1CCN(c2ccncc2NCc2ccc(C#N)cc2)CC1 ZINC000533150039 406125861 /nfs/dbraw/zinc/12/58/61/406125861.db2.gz HEGCIZFQLJSUDW-UHFFFAOYSA-N 0 3 307.401 2.317 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634459483 406140946 /nfs/dbraw/zinc/14/09/46/406140946.db2.gz WMFSRCBNVSZKBW-KSZLIROESA-N 0 3 314.429 2.277 20 30 DEEDHN C[C@@H]1CN(c2ccnc(C#N)n2)[C@H](C)CN1Cc1ccccc1 ZINC000569001761 292383368 /nfs/dbraw/zinc/38/33/68/292383368.db2.gz KGELZBOQCSFDNO-HUUCEWRRSA-N 0 3 307.401 2.447 20 30 DEEDHN Cc1csc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1C#N ZINC000569588439 406274549 /nfs/dbraw/zinc/27/45/49/406274549.db2.gz NHNGCEYPWGOOLL-OAHLLOKOSA-N 0 3 304.419 2.488 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000545999204 406342552 /nfs/dbraw/zinc/34/25/52/406342552.db2.gz LBOSZIPVDGYRLL-WCQYABFASA-N 0 3 302.378 2.171 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488748307 406345156 /nfs/dbraw/zinc/34/51/56/406345156.db2.gz GTTOOUAWNLATBI-OBJOEFQTSA-N 0 3 315.377 2.028 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000489462319 406408627 /nfs/dbraw/zinc/40/86/27/406408627.db2.gz KMXXLUKFIOGYLJ-UKRRQHHQSA-N 0 3 306.362 2.375 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCc2ccc(C)o2)CC1 ZINC000490698561 406483826 /nfs/dbraw/zinc/48/38/26/406483826.db2.gz NKJWRCIHOGNBBH-AWEZNQCLSA-N 0 3 302.418 2.371 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=S)NC1CCN(C)CC1 ZINC000491166357 406536601 /nfs/dbraw/zinc/53/66/01/406536601.db2.gz RKYMSQMHMOWZCJ-UHFFFAOYSA-N 0 3 301.459 2.091 20 30 DEEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C12CCCC2 ZINC000571611659 406541820 /nfs/dbraw/zinc/54/18/20/406541820.db2.gz WBEQRTAMUFMFSR-RRFJBIMHSA-N 0 3 319.449 2.265 20 30 DEEDHN C#C[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000491243020 406552993 /nfs/dbraw/zinc/55/29/93/406552993.db2.gz UKJZQYNFYIOSMZ-KRWDZBQOSA-N 0 3 315.392 2.426 20 30 DEEDHN C#C[C@@H](CC)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000491303769 406564668 /nfs/dbraw/zinc/56/46/68/406564668.db2.gz CDOHNURQIZPBSQ-HNNXBMFYSA-N 0 3 300.406 2.009 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000571297368 406503576 /nfs/dbraw/zinc/50/35/76/406503576.db2.gz LZTSLSQXDOWSEW-IYBDPMFKSA-N 0 3 323.481 2.228 20 30 DEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C ZINC000491351460 406573962 /nfs/dbraw/zinc/57/39/62/406573962.db2.gz UJWBMTMINIRTAH-IAGOWNOFSA-N 0 3 313.445 2.458 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCc1cccc(F)c1 ZINC000491373710 406580798 /nfs/dbraw/zinc/58/07/98/406580798.db2.gz OBAFYIXHZWODMH-UHFFFAOYSA-N 0 3 305.397 2.013 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](CC)CC(F)(F)F)CC1 ZINC000491387100 406583429 /nfs/dbraw/zinc/58/34/29/406583429.db2.gz XCRZKMFWCDCWGJ-LBPRGKRZSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)CC1 ZINC000491682690 406667200 /nfs/dbraw/zinc/66/72/00/406667200.db2.gz UGAZSFCWTAOOEU-YPMHNXCESA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCNC(=O)CCNC/C=C\c1ccc(Br)cc1 ZINC000491690497 406669916 /nfs/dbraw/zinc/66/99/16/406669916.db2.gz BQWDIHOZHJSNTO-ARJAWSKDSA-N 0 3 321.218 2.191 20 30 DEEDHN COc1ccc([C@@H](C)NCCn2cnc(C#N)n2)cc1Cl ZINC000552023929 406673089 /nfs/dbraw/zinc/67/30/89/406673089.db2.gz LUKQIARJZNKJAT-SNVBAGLBSA-N 0 3 305.769 2.163 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccnc2ccccc12 ZINC000491703260 406678217 /nfs/dbraw/zinc/67/82/17/406678217.db2.gz SGOZRQCXAPVNGH-KTKRTIGZSA-N 0 3 307.397 2.319 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000552067735 406680062 /nfs/dbraw/zinc/68/00/62/406680062.db2.gz VWORAGMBRSVGAV-ZDUSSCGKSA-N 0 3 317.408 2.433 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)CCCC3=O)CC1 ZINC000491705644 406680582 /nfs/dbraw/zinc/68/05/82/406680582.db2.gz VXYOPFOHIYZXCR-UHFFFAOYSA-N 0 3 310.397 2.489 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 ZINC000491732569 406692942 /nfs/dbraw/zinc/69/29/42/406692942.db2.gz JSYZKYBGFARSGL-CABCVRRESA-N 0 3 311.495 2.257 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000491811143 406731446 /nfs/dbraw/zinc/73/14/46/406731446.db2.gz KVHYAKBJLQCEIB-JKSUJKDBSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640924261 406743161 /nfs/dbraw/zinc/74/31/61/406743161.db2.gz TWABMXIVXOWPDP-JSGCOSHPSA-N 0 3 307.442 2.310 20 30 DEEDHN C[C@H]1[C@H](NC(=O)NCC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000573472786 406773148 /nfs/dbraw/zinc/77/31/48/406773148.db2.gz CYZHYXAXMIEKOD-GOEBONIOSA-N 0 3 312.417 2.252 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000491770100 406708852 /nfs/dbraw/zinc/70/88/52/406708852.db2.gz LTNKNPLFRAIPST-ZDUSSCGKSA-N 0 3 319.405 2.121 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2COCc3ccccc32)CC1 ZINC000574056572 406779972 /nfs/dbraw/zinc/77/99/72/406779972.db2.gz URRJYVVMYNDDDQ-QGZVFWFLSA-N 0 3 315.417 2.208 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000553864882 406775833 /nfs/dbraw/zinc/77/58/33/406775833.db2.gz BUSYUOVNBVKUQO-ZDUSSCGKSA-N 0 3 312.417 2.208 20 30 DEEDHN C[C@H](C#N)CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000577068949 406834651 /nfs/dbraw/zinc/83/46/51/406834651.db2.gz OKPARACAMDLXTG-OAHLLOKOSA-N 0 3 314.433 2.500 20 30 DEEDHN CC#CC[C@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000641769329 406888393 /nfs/dbraw/zinc/88/83/93/406888393.db2.gz STSMPERVRWRBTK-CYBMUJFWSA-N 0 3 309.793 2.365 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645488683 407284995 /nfs/dbraw/zinc/28/49/95/407284995.db2.gz JICVFCHPMCZJHO-PMPSAXMXSA-N 0 3 309.454 2.093 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cn(CC)nc2C(C)C)[C@H]1C ZINC001088889138 782023239 /nfs/dbraw/zinc/02/32/39/782023239.db2.gz AKAGXEYSNYQDLW-ZBFHGGJFSA-N 0 3 316.449 2.242 20 30 DEEDHN Cc1cc(C)cc(NC(=[NH2+])NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000262522553 225275525 /nfs/dbraw/zinc/27/55/25/225275525.db2.gz OAMWZHNORVKUSO-UHFFFAOYSA-N 0 3 312.299 2.367 20 30 DEEDHN Cc1cc(C)cc(NC(=[NH2+])NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000262522553 225275530 /nfs/dbraw/zinc/27/55/30/225275530.db2.gz OAMWZHNORVKUSO-UHFFFAOYSA-N 0 3 312.299 2.367 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)CCC(=O)c1cccs1 ZINC000263918562 225298017 /nfs/dbraw/zinc/29/80/17/225298017.db2.gz CZIIACSNVVLYFP-UHFFFAOYSA-N 0 3 321.446 2.405 20 30 DEEDHN N#C[C@@H]1COCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000267165095 225348813 /nfs/dbraw/zinc/34/88/13/225348813.db2.gz KZEKJVDPZXUNAC-QGZVFWFLSA-N 0 3 313.401 2.037 20 30 DEEDHN C[C@@H](NCCOCCC#N)c1cccc(N2CCOC2=O)c1 ZINC000293717639 225710741 /nfs/dbraw/zinc/71/07/41/225710741.db2.gz FIIVCWYBRSUWHF-CYBMUJFWSA-N 0 3 303.362 2.224 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1cccc(C#N)c1 ZINC000330943166 226045742 /nfs/dbraw/zinc/04/57/42/226045742.db2.gz HJFASJUQBHIYKW-RHSMWYFYSA-N 0 3 314.433 2.287 20 30 DEEDHN CSc1cccc(C)c1NC(=O)NCC1(O)CCN(C)CC1 ZINC000331017500 226053248 /nfs/dbraw/zinc/05/32/48/226053248.db2.gz HUCFSVBAVMMRHU-UHFFFAOYSA-N 0 3 323.462 2.500 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000332077756 226092403 /nfs/dbraw/zinc/09/24/03/226092403.db2.gz GZRQKTATYYOLQW-UPJWGTAASA-N 0 3 301.350 2.168 20 30 DEEDHN CC(C#N)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000332235154 226095954 /nfs/dbraw/zinc/09/59/54/226095954.db2.gz QSDFAININSKZMT-GFCCVEGCSA-N 0 3 319.792 2.174 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)NCCCCC#N)c1 ZINC000351988136 226685110 /nfs/dbraw/zinc/68/51/10/226685110.db2.gz ZBHTZGZHQOYIJR-UHFFFAOYSA-N 0 3 304.394 2.442 20 30 DEEDHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCOC1 ZINC000348142371 226645719 /nfs/dbraw/zinc/64/57/19/226645719.db2.gz NFAAHBKHHZNCIQ-JKSUJKDBSA-N 0 3 315.417 2.338 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 ZINC000291224108 222237713 /nfs/dbraw/zinc/23/77/13/222237713.db2.gz LTMJBNQLKNOEHK-UHFFFAOYSA-N 0 3 310.401 2.165 20 30 DEEDHN N#CC1CCC(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000374240659 227127787 /nfs/dbraw/zinc/12/77/87/227127787.db2.gz XANNCYDBUGEWHP-DQPZFDDXSA-N 0 3 319.449 2.076 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299301068 229037750 /nfs/dbraw/zinc/03/77/50/229037750.db2.gz MYWIKUNSJZTOLS-YESZJQIVSA-N 0 3 313.401 2.211 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2csc(C3CC3)n2)[C@H]1C ZINC001088901301 782032579 /nfs/dbraw/zinc/03/25/79/782032579.db2.gz GWXSKHDHHJXMRV-RISCZKNCSA-N 0 3 305.447 2.328 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2sc(N(C)C)nc2C)[C@H]1C ZINC001088902398 782032619 /nfs/dbraw/zinc/03/26/19/782032619.db2.gz QRIFATVGCVIFCY-OLZOCXBDSA-N 0 3 322.478 2.286 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2oc(CC(C)C)nc2C)[C@H]1C ZINC001088908171 782036717 /nfs/dbraw/zinc/03/67/17/782036717.db2.gz KSNDLENVNAQNEX-CABCVRRESA-N 0 3 317.433 2.397 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)CC1 ZINC000490935226 421194112 /nfs/dbraw/zinc/19/41/12/421194112.db2.gz LVBQFPLACZCYML-AWEZNQCLSA-N 0 3 314.433 2.446 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2scnc2COC)[C@H]1C ZINC001088908030 782037214 /nfs/dbraw/zinc/03/72/14/782037214.db2.gz BCWLCRASTXFJGR-NEPJUHHUSA-N 0 3 309.435 2.058 20 30 DEEDHN Cc1cc(NC(=O)NCCN2CCC(C)CC2)ncc1C#N ZINC000603119766 422447291 /nfs/dbraw/zinc/44/72/91/422447291.db2.gz NIZZSEIMOHGLEV-UHFFFAOYSA-N 0 3 301.394 2.115 20 30 DEEDHN CC(C)(C)N1CCCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000609847862 422464161 /nfs/dbraw/zinc/46/41/61/422464161.db2.gz NODHSHKIUHFVMJ-UHFFFAOYSA-N 0 3 318.425 2.135 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)c(N)n2)C1 ZINC000570815747 424930012 /nfs/dbraw/zinc/93/00/12/424930012.db2.gz FWGBJSFIBYZVGV-CJNGLKHVSA-N 0 3 307.401 2.783 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000649336899 424997326 /nfs/dbraw/zinc/99/73/26/424997326.db2.gz ISTOIDQBZCJFRN-SFHVURJKSA-N 0 3 316.445 2.260 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000649362811 425000861 /nfs/dbraw/zinc/00/08/61/425000861.db2.gz HRUNLQPCWNPCLY-GXTWGEPZSA-N 0 3 323.824 2.323 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000649362819 425000904 /nfs/dbraw/zinc/00/09/04/425000904.db2.gz KEEUOTRQBHHOMF-AWEZNQCLSA-N 0 3 323.824 2.323 20 30 DEEDHN COc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000597171656 425032029 /nfs/dbraw/zinc/03/20/29/425032029.db2.gz ZAPPIWVRTFXZJP-UHFFFAOYSA-N 0 3 322.412 3.038 20 30 DEEDHN C=CCOCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649751728 425073749 /nfs/dbraw/zinc/07/37/49/425073749.db2.gz QSTPVIIHYLVLNL-OALUTQOASA-N 0 3 316.445 2.164 20 30 DEEDHN FC1(F)C[C@]12CCN(CC#CCN1CC[C@]3(CC3(F)F)C1)C2 ZINC000649908107 425100050 /nfs/dbraw/zinc/10/00/50/425100050.db2.gz HAEZHNQQUBPGEI-KBPBESRZSA-N 0 3 316.342 2.452 20 30 DEEDHN C=CCOCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000651020029 425089585 /nfs/dbraw/zinc/08/95/85/425089585.db2.gz UFDQONOYOZGWSJ-GOSISDBHSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCOc1ccc(CNCC[C@]2(O)CCCOC2)cc1OC ZINC000652039976 425167984 /nfs/dbraw/zinc/16/79/84/425167984.db2.gz UHMNRHGPGNJWDN-GOSISDBHSA-N 0 3 321.417 2.281 20 30 DEEDHN C=CCC1(NC(=O)NCCCCN2CCN(C)CC2)CCCC1 ZINC000664175739 425323893 /nfs/dbraw/zinc/32/38/93/425323893.db2.gz RCBWVKIQNLIPDB-UHFFFAOYSA-N 0 3 322.497 2.202 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000661115918 425326743 /nfs/dbraw/zinc/32/67/43/425326743.db2.gz VIGKEJUKFPCTRG-YPMHNXCESA-N 0 3 301.394 2.293 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000661115918 425326747 /nfs/dbraw/zinc/32/67/47/425326747.db2.gz VIGKEJUKFPCTRG-YPMHNXCESA-N 0 3 301.394 2.293 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1CC(F)(F)F ZINC000661115375 425326880 /nfs/dbraw/zinc/32/68/80/425326880.db2.gz REJIDQCELBCEKT-GHMZBOCLSA-N 0 3 303.332 2.460 20 30 DEEDHN C=CCOCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000660956635 425285346 /nfs/dbraw/zinc/28/53/46/425285346.db2.gz BTFBUNUPTJGNAV-IAGOWNOFSA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000661066288 425310689 /nfs/dbraw/zinc/31/06/89/425310689.db2.gz PJIJAFNQQJZMEU-QGZVFWFLSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)COC ZINC000661244922 425360215 /nfs/dbraw/zinc/36/02/15/425360215.db2.gz ZUFHCLOLIKNEMU-CYBMUJFWSA-N 0 3 320.389 2.267 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658948506 425513142 /nfs/dbraw/zinc/51/31/42/425513142.db2.gz VPIVBFJTPHPBEO-HZPDHXFCSA-N 0 3 306.381 2.062 20 30 DEEDHN C=CCCOCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659036749 425523702 /nfs/dbraw/zinc/52/37/02/425523702.db2.gz FAVDRBCCLOHGJU-MRXNPFEDSA-N 0 3 319.405 2.062 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCCN1CCO ZINC000665385353 425560841 /nfs/dbraw/zinc/56/08/41/425560841.db2.gz BEHRKJKDYJWOHJ-BRWVUGGUSA-N 0 3 323.481 2.267 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CCOCC2)cc1 ZINC000348232163 268089341 /nfs/dbraw/zinc/08/93/41/268089341.db2.gz PPDFCJBEFKCQKN-QGZVFWFLSA-N 0 3 311.385 2.173 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000516158506 268251146 /nfs/dbraw/zinc/25/11/46/268251146.db2.gz YZSIBAZBGNPHGT-KBMXLJTQSA-N 0 3 304.415 2.110 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000528409600 268300679 /nfs/dbraw/zinc/30/06/79/268300679.db2.gz VXIKUPRQULIYNQ-NVXWUHKLSA-N 0 3 311.385 2.463 20 30 DEEDHN C[C@H]1CCN(c2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401291279 269111806 /nfs/dbraw/zinc/11/18/06/269111806.db2.gz LLTUPRKQDJBMAD-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN COc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1C#N ZINC000288680364 274111322 /nfs/dbraw/zinc/11/13/22/274111322.db2.gz XBLQWWYBFVGCNV-MAUKXSAKSA-N 0 3 310.353 2.151 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000329913217 276105015 /nfs/dbraw/zinc/10/50/15/276105015.db2.gz XFHZHVBLOICCIY-UHFFFAOYSA-N 0 3 306.410 2.092 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)[C@H]1CC[C@H](C)C1 ZINC000362146841 276351992 /nfs/dbraw/zinc/35/19/92/276351992.db2.gz CTEYLXSYMKFNIZ-XHSDSOJGSA-N 0 3 309.454 2.132 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000124759145 276900686 /nfs/dbraw/zinc/90/06/86/276900686.db2.gz LBARNDOQQNYIAP-IUODEOHRSA-N 0 3 319.405 2.136 20 30 DEEDHN C=CC[C@@H]1N(C(=O)NCCOCCN(C)C)CCCC1(C)C ZINC000447819075 277882891 /nfs/dbraw/zinc/88/28/91/277882891.db2.gz WQARSNMCEFAYTE-HNNXBMFYSA-N 0 3 311.470 2.341 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C[C@H](C)O)C1CCCCC1 ZINC000303375781 280100987 /nfs/dbraw/zinc/10/09/87/280100987.db2.gz OAOZUPJNJHCRHB-WMLDXEAASA-N 0 3 309.454 2.056 20 30 DEEDHN O=C(N[C@H]1CCCCNC1=O)[C@@H]1CCCN1C1CCOCC1 ZINC000329346272 295386379 /nfs/dbraw/zinc/38/63/79/295386379.db2.gz RIUUGLJBRDZXFR-KBPBESRZSA-N 0 3 309.410 2.095 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCN1C ZINC000329063205 297193569 /nfs/dbraw/zinc/19/35/69/297193569.db2.gz ZUACGNNUUZHMCA-HLPPOEQASA-N 0 3 320.437 2.327 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CCN1C ZINC000329796973 297320310 /nfs/dbraw/zinc/32/03/10/297320310.db2.gz FGESLMNNMODXBH-MGPQQGTHSA-N 0 3 305.426 2.333 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccc(F)cc2F)C[C@H]1C ZINC001328278030 1148763454 /nfs/dbraw/zinc/76/34/54/1148763454.db2.gz GPZBVLIMLFIGSV-CJNGLKHVSA-N 0 3 320.383 2.500 20 30 DEEDHN C[C@H](NN=Cc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000834997229 649864977 /nfs/dbraw/zinc/86/49/77/649864977.db2.gz ADOZXQHUJUOBEJ-LBPRGKRZSA-N 0 3 314.355 2.313 20 30 DEEDHN C=C(C)C[C@@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)OCC ZINC001349848826 1151298445 /nfs/dbraw/zinc/29/84/45/1151298445.db2.gz CQIWHAOFEXCFMW-LSDHHAIUSA-N 0 3 304.390 2.091 20 30 DEEDHN COc1cccc([C@@H](CNc2ncncc2C#N)N2CCCC2)c1 ZINC000567750157 325855013 /nfs/dbraw/zinc/85/50/13/325855013.db2.gz JYNWHQRGOLOSOX-QGZVFWFLSA-N 0 3 323.400 2.028 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2sccc2C#N)[C@H]2CCCO[C@H]21 ZINC000577187565 326348459 /nfs/dbraw/zinc/34/84/59/326348459.db2.gz OHSAMACANSRABI-MRVWCRGKSA-N 0 3 319.430 2.351 20 30 DEEDHN N#CC1(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000518661364 332119650 /nfs/dbraw/zinc/11/96/50/332119650.db2.gz PVHJXAMMJWOEGR-MRXNPFEDSA-N 0 3 312.417 2.254 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1cccc(C#N)c1 ZINC000583355897 332348135 /nfs/dbraw/zinc/34/81/35/332348135.db2.gz APLTWBMPDNUNAC-QGZVFWFLSA-N 0 3 314.433 2.226 20 30 DEEDHN N#Cc1nccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000583391623 332383105 /nfs/dbraw/zinc/38/31/05/332383105.db2.gz AGHAQNGRCVXKTB-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN C=C[C@@H](CC(=O)N(CCN(C)C)CCN(C)C)c1ccccc1 ZINC000534799815 334337499 /nfs/dbraw/zinc/33/74/99/334337499.db2.gz MVUNWJDLRDPQRL-KRWDZBQOSA-N 0 3 317.477 2.298 20 30 DEEDHN C=CCNC(=O)c1ccc(NC2CCN(C3CC3)CC2)nc1 ZINC000301233625 336295935 /nfs/dbraw/zinc/29/59/35/336295935.db2.gz KOAHJJCZJKCDGX-UHFFFAOYSA-N 0 3 300.406 2.036 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000357096897 336573621 /nfs/dbraw/zinc/57/36/21/336573621.db2.gz YUZVMBOEUPYCOC-KKUMJFAQSA-N 0 3 307.438 2.026 20 30 DEEDHN N#C[C@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CCOC1 ZINC000582712840 337123977 /nfs/dbraw/zinc/12/39/77/337123977.db2.gz CBTSMJVURMIFDB-GOSISDBHSA-N 0 3 313.401 2.085 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000582727434 337126190 /nfs/dbraw/zinc/12/61/90/337126190.db2.gz KWKUIWUHXJAKAW-UKRRQHHQSA-N 0 3 321.446 2.277 20 30 DEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(C2CC2)cc1 ZINC000582781380 337157739 /nfs/dbraw/zinc/15/77/39/337157739.db2.gz ZSYYROAOVPVKLB-KBXCAEBGSA-N 0 3 301.434 2.421 20 30 DEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(C2CC2)cc1 ZINC000582781381 337157826 /nfs/dbraw/zinc/15/78/26/337157826.db2.gz ZSYYROAOVPVKLB-KDOFPFPSSA-N 0 3 301.434 2.421 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000583069466 337235405 /nfs/dbraw/zinc/23/54/05/337235405.db2.gz PYSJXLSYOITNOY-JKSUJKDBSA-N 0 3 314.433 2.310 20 30 DEEDHN C=CCOCC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516187106 338006194 /nfs/dbraw/zinc/00/61/94/338006194.db2.gz HXADFCJXDZDRSY-CQSZACIVSA-N 0 3 310.825 2.304 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cccc(C(=O)N(C)C)c1 ZINC000429723852 338088463 /nfs/dbraw/zinc/08/84/63/338088463.db2.gz NXOYRGIFDOJNHH-UHFFFAOYSA-N 0 3 303.450 2.328 20 30 DEEDHN CC#CCN(C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496201711 340000362 /nfs/dbraw/zinc/00/03/62/340000362.db2.gz XOPDRERTBZJHLH-QGZVFWFLSA-N 0 3 310.438 2.094 20 30 DEEDHN C=C1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496345667 340003496 /nfs/dbraw/zinc/00/34/96/340003496.db2.gz MZNGIPGVGNEVHT-UHFFFAOYSA-N 0 3 309.454 2.191 20 30 DEEDHN CC(C#N)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497021837 340018454 /nfs/dbraw/zinc/01/84/54/340018454.db2.gz YTHMNFQOZMXCQY-STQMWFEESA-N 0 3 309.410 2.442 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503515093 340129571 /nfs/dbraw/zinc/12/95/71/340129571.db2.gz CZFWKSUCOHQKEN-BLTAXRJOSA-N 0 3 317.380 2.179 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C)(O)CC1 ZINC000177543232 340441440 /nfs/dbraw/zinc/44/14/40/340441440.db2.gz XKGOIAVUHYBSAI-MRXNPFEDSA-N 0 3 305.418 2.002 20 30 DEEDHN COCCc1noc(CC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000528628401 340727083 /nfs/dbraw/zinc/72/70/83/340727083.db2.gz RRJNTUUGXFFPMY-LSDHHAIUSA-N 0 3 318.421 2.205 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(CC#N)CC1 ZINC000542855005 341023750 /nfs/dbraw/zinc/02/37/50/341023750.db2.gz YLGDXFJIIBGDAT-CABCVRRESA-N 0 3 306.454 2.442 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1n[nH]c2c1CCC2)C(C)C ZINC000078504720 341243188 /nfs/dbraw/zinc/24/31/88/341243188.db2.gz NRCKFMBJKULDKL-MRXNPFEDSA-N 0 3 316.449 2.327 20 30 DEEDHN C=CCOCCCN1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 ZINC000548095589 341246834 /nfs/dbraw/zinc/24/68/34/341246834.db2.gz JAVAEQHHLFZATO-MRXNPFEDSA-N 0 3 323.462 2.081 20 30 DEEDHN C=C(C)Cn1c(CC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000555249000 341478456 /nfs/dbraw/zinc/47/84/56/341478456.db2.gz CJUYBIDCHIUQKT-HNNXBMFYSA-N 0 3 303.454 2.481 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@](C)(CC)C1=O)C(C)C ZINC000349239486 341966997 /nfs/dbraw/zinc/96/69/97/341966997.db2.gz XTXFMLOZSOPRCF-YOEHRIQHSA-N 0 3 307.438 2.406 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)[C@H]1C ZINC001089010018 782116418 /nfs/dbraw/zinc/11/64/18/782116418.db2.gz GFLDJLMRFFCZEL-LZWOXQAQSA-N 0 3 316.449 2.234 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccc(F)cc1 ZINC001357775769 1152337194 /nfs/dbraw/zinc/33/71/94/1152337194.db2.gz FMGCNTPJJSDNJC-HZPDHXFCSA-N 0 3 303.381 2.284 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001378154850 1161061428 /nfs/dbraw/zinc/06/14/28/1161061428.db2.gz NGGOUTNWMIHBRW-GJZGRUSLSA-N 0 3 315.889 2.438 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc([C@H](C)CC(N)=O)cc1 ZINC001358443865 1152386373 /nfs/dbraw/zinc/38/63/73/1152386373.db2.gz FMFBWHHCLUCNRN-DOMZBBRYSA-N 0 3 303.406 2.288 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CC2CCC(OC)CC2)C1 ZINC001330087906 1149048576 /nfs/dbraw/zinc/04/85/76/1149048576.db2.gz FEMKIARQWJUALO-UQPPLGOBSA-N 0 3 306.450 2.042 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccccn1 ZINC001378727671 1152425586 /nfs/dbraw/zinc/42/55/86/1152425586.db2.gz NYZIHONFMWENQA-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccccn1 ZINC001378727673 1152425885 /nfs/dbraw/zinc/42/58/85/1152425885.db2.gz NYZIHONFMWENQA-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN COc1cc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1C#N ZINC000442849416 533807026 /nfs/dbraw/zinc/80/70/26/533807026.db2.gz GYDNYAJVBTWDEZ-HNNXBMFYSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)ccc1C#N ZINC000442849416 533807034 /nfs/dbraw/zinc/80/70/34/533807034.db2.gz GYDNYAJVBTWDEZ-HNNXBMFYSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1C#N ZINC000442849416 533807039 /nfs/dbraw/zinc/80/70/39/533807039.db2.gz GYDNYAJVBTWDEZ-HNNXBMFYSA-N 0 3 311.389 2.373 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2n[nH]c(C)c2C)CCCC1 ZINC001401174034 1161886751 /nfs/dbraw/zinc/88/67/51/1161886751.db2.gz DBZWARHRQBDXIJ-UHFFFAOYSA-N 0 3 310.829 2.411 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnc3n2CCCC3)C1 ZINC001368821502 1148690569 /nfs/dbraw/zinc/69/05/69/1148690569.db2.gz JJRNGIOXPGOYCD-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2cc(C)on2)C1 ZINC001378854675 1152468462 /nfs/dbraw/zinc/46/84/62/1152468462.db2.gz XSKGLSSBZGEQSE-MQMHXKEQSA-N 0 3 311.813 2.153 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001378860181 1152470670 /nfs/dbraw/zinc/47/06/70/1152470670.db2.gz FZJJRPBDCZGZFR-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CC[C@H](C)[C@@H](C)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000453277434 534355203 /nfs/dbraw/zinc/35/52/03/534355203.db2.gz JLYNVBQHLALYSX-PXIJXODZSA-N 0 3 315.479 2.363 20 30 DEEDHN CCN(C)CCNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000112926967 520233951 /nfs/dbraw/zinc/23/39/51/520233951.db2.gz IVYDSYVOMXIPCU-UHFFFAOYSA-N 0 3 318.446 2.234 20 30 DEEDHN Cc1nsc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000297412615 534515309 /nfs/dbraw/zinc/51/53/09/534515309.db2.gz LNQHSJHMIXLFNG-ZYHUDNBSSA-N 0 3 319.434 2.414 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001358794909 1152486563 /nfs/dbraw/zinc/48/65/63/1152486563.db2.gz PEAXPVHJMFPJCW-KBXCAEBGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000451599932 534607261 /nfs/dbraw/zinc/60/72/61/534607261.db2.gz PVBRYSMJQQIAQK-WQVCFCJDSA-N 0 3 306.381 2.278 20 30 DEEDHN N#CCc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000339770827 534719387 /nfs/dbraw/zinc/71/93/87/534719387.db2.gz AEIQGYWRLAAFIE-MSOLQXFVSA-N 0 3 300.402 2.162 20 30 DEEDHN COCCOC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156436284 523973819 /nfs/dbraw/zinc/97/38/19/523973819.db2.gz FVQYQAYHVCJJJN-UHFFFAOYSA-N 0 3 318.417 2.455 20 30 DEEDHN CN(C)CCN(C(=O)CNc1ccc(C#N)cc1)C1CCCC1 ZINC000112915960 524058874 /nfs/dbraw/zinc/05/88/74/524058874.db2.gz QFMIJHCRRVUYSW-UHFFFAOYSA-N 0 3 314.433 2.303 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccncc3C#N)CC2)C[C@H](C)O1 ZINC000363813836 524938127 /nfs/dbraw/zinc/93/81/27/524938127.db2.gz FBYSQKBMVQPZKA-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000330575959 534874439 /nfs/dbraw/zinc/87/44/39/534874439.db2.gz QQZAOTUTZUXRET-MGPQQGTHSA-N 0 3 314.433 2.358 20 30 DEEDHN CC(C)(C)Nc1ccc(C(N)=NOCCN2CCCCC2)nc1 ZINC000194433410 526335832 /nfs/dbraw/zinc/33/58/32/526335832.db2.gz SSUMWFYXBNFVGB-UHFFFAOYSA-N 0 3 319.453 2.415 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CCc1ccccc1)CC(C)C ZINC000341710646 526588010 /nfs/dbraw/zinc/58/80/10/526588010.db2.gz VGXSVGANFBDJER-UHFFFAOYSA-N 0 3 317.433 2.199 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000193185731 526612325 /nfs/dbraw/zinc/61/23/25/526612325.db2.gz KICRPINXMHIDOH-SWLSCSKDSA-N 0 3 301.390 2.128 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H](C)CCN2)cc1 ZINC000422953329 526618532 /nfs/dbraw/zinc/61/85/32/526618532.db2.gz DYFQQHAHIBBUPD-SWLSCSKDSA-N 0 3 316.405 2.321 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@](C)(N)CCC)cc1 ZINC000262247186 526618758 /nfs/dbraw/zinc/61/87/58/526618758.db2.gz BPXOGUGLRVJHAZ-MRXNPFEDSA-N 0 3 304.394 2.450 20 30 DEEDHN N#Cc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000365661445 526627133 /nfs/dbraw/zinc/62/71/33/526627133.db2.gz KCLSRXCQMNBRBD-DLBZAZTESA-N 0 3 300.402 2.358 20 30 DEEDHN C=CCOCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000341570359 526708095 /nfs/dbraw/zinc/70/80/95/526708095.db2.gz XAOZTXZJXNOTJM-OAHLLOKOSA-N 0 3 308.447 2.330 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cc(C(CC)CC)no1 ZINC000296593091 526817578 /nfs/dbraw/zinc/81/75/78/526817578.db2.gz UQIFIUVKVPLOKB-UHFFFAOYSA-N 0 3 320.437 2.333 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCSc2ccccc21 ZINC000297599603 526821308 /nfs/dbraw/zinc/82/13/08/526821308.db2.gz ZAZHAGUMSDIMJU-HNNXBMFYSA-N 0 3 317.458 2.478 20 30 DEEDHN C=CCOc1ccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423102043 526886957 /nfs/dbraw/zinc/88/69/57/526886957.db2.gz JNOXAJDTBMZJJK-MSOLQXFVSA-N 0 3 302.418 2.108 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000294258021 526986507 /nfs/dbraw/zinc/98/65/07/526986507.db2.gz UWFJSQWCBCDVRR-ZBFHGGJFSA-N 0 3 324.783 2.038 20 30 DEEDHN C=CC[C@@H](CO)CNCc1c(C(C)C)nc2sc(C)nn21 ZINC000341279393 527078602 /nfs/dbraw/zinc/07/86/02/527078602.db2.gz CCYQWOYHIWXNME-GFCCVEGCSA-N 0 3 308.451 2.497 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000294708255 527080737 /nfs/dbraw/zinc/08/07/37/527080737.db2.gz LPCNNQWILPNPOJ-CQSZACIVSA-N 0 3 320.458 2.115 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000294652303 527081196 /nfs/dbraw/zinc/08/11/96/527081196.db2.gz HNVCIOYRNHJQLA-CABCVRRESA-N 0 3 320.458 2.115 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000294570400 527081507 /nfs/dbraw/zinc/08/15/07/527081507.db2.gz SKBDUIFARINORG-UKRRQHHQSA-N 0 3 308.447 2.286 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000293044460 527122510 /nfs/dbraw/zinc/12/25/10/527122510.db2.gz XOOFSXARWLESBR-GOSISDBHSA-N 0 3 313.401 2.258 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000341381598 527149209 /nfs/dbraw/zinc/14/92/09/527149209.db2.gz XJOVENBNZQHCBT-CABCVRRESA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCn1c(CC(C)C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000337836670 527311403 /nfs/dbraw/zinc/31/14/03/527311403.db2.gz CKQDEBPSQRMRTI-OAHLLOKOSA-N 0 3 305.470 2.439 20 30 DEEDHN C=CCn1c(COCC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000337822332 527323937 /nfs/dbraw/zinc/32/39/37/527323937.db2.gz SPSCRUNXHDKQHY-OAHLLOKOSA-N 0 3 319.453 2.065 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(CC(C)C)CC1 ZINC000337806487 527350557 /nfs/dbraw/zinc/35/05/57/527350557.db2.gz HZVJVHZCMAXDOM-HNNXBMFYSA-N 0 3 319.453 2.094 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000371282480 527400491 /nfs/dbraw/zinc/40/04/91/527400491.db2.gz HJRVAKHGOXOLQW-BGTYHANMSA-N 0 3 314.429 2.214 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000442678453 527522605 /nfs/dbraw/zinc/52/26/05/527522605.db2.gz LJANVTGXYAGMEM-OALUTQOASA-N 0 3 316.445 2.342 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H](C)C1)C(C)C ZINC000372218397 527648425 /nfs/dbraw/zinc/64/84/25/527648425.db2.gz UCZBPOXGTARLDE-IAGOWNOFSA-N 0 3 323.481 2.363 20 30 DEEDHN CO[C@@H]([C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000456592577 536538295 /nfs/dbraw/zinc/53/82/95/536538295.db2.gz YBNUNGJAFDYKMK-JLZZUVOBSA-N 0 3 311.385 2.170 20 30 DEEDHN CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000331024711 528960147 /nfs/dbraw/zinc/96/01/47/528960147.db2.gz NVLYMMMDLKTAGF-UHFFFAOYSA-N 0 3 307.350 2.392 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000338042114 528999828 /nfs/dbraw/zinc/99/98/28/528999828.db2.gz NQZVRMRALFZOAG-QGZVFWFLSA-N 0 3 317.408 2.351 20 30 DEEDHN CC(C)N1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1=O ZINC000330913730 529072754 /nfs/dbraw/zinc/07/27/54/529072754.db2.gz RYEHWLPBZUAXQR-HNNXBMFYSA-N 0 3 303.406 2.062 20 30 DEEDHN CC(C)N1C[C@H](NCc2ccc(N(C)CCC#N)cc2)CC1=O ZINC000265715428 529104689 /nfs/dbraw/zinc/10/46/89/529104689.db2.gz YDSIUCNPNWVDPU-MRXNPFEDSA-N 0 3 314.433 2.135 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000192215638 535535083 /nfs/dbraw/zinc/53/50/83/535535083.db2.gz QHELHGGGKXEEEH-NVXWUHKLSA-N 0 3 306.381 2.353 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccnc1N(C)C)C(C)C ZINC001379013280 1152531744 /nfs/dbraw/zinc/53/17/44/1152531744.db2.gz VUDIVLQKHYSLJS-CQSZACIVSA-N 0 3 324.856 2.244 20 30 DEEDHN C[C@H](OCc1ccc(F)cc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835057918 649873432 /nfs/dbraw/zinc/87/34/32/649873432.db2.gz GULKUMNAFRYFMR-WFASDCNBSA-N 0 3 318.348 2.062 20 30 DEEDHN C/C=C\COc1cccc(CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000835065903 649874445 /nfs/dbraw/zinc/87/44/45/649874445.db2.gz UORAAHZAHOGTFO-YIEVGGLXSA-N 0 3 314.385 2.417 20 30 DEEDHN Cc1cc(CN[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)sn1 ZINC001327843941 1148656663 /nfs/dbraw/zinc/65/66/63/1148656663.db2.gz PQDUVDBNNXBLNI-WFASDCNBSA-N 0 3 305.447 2.047 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001379344682 1152612438 /nfs/dbraw/zinc/61/24/38/1152612438.db2.gz NRPTYUBJNMUXQB-WBMJQRKESA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCCO1 ZINC001379488686 1152631791 /nfs/dbraw/zinc/63/17/91/1152631791.db2.gz HAIVGAVSHNWTKY-STQMWFEESA-N 0 3 321.446 2.173 20 30 DEEDHN CC[C@@H](OC)C(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000998711443 634383924 /nfs/dbraw/zinc/38/39/24/634383924.db2.gz PCBLIWUAHCLMFH-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN C#CC[N@H+](CCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819701284 606784243 /nfs/dbraw/zinc/78/42/43/606784243.db2.gz BFTCTJNMDRWINK-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN C#CC[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819701284 606784244 /nfs/dbraw/zinc/78/42/44/606784244.db2.gz BFTCTJNMDRWINK-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001379654618 1152665798 /nfs/dbraw/zinc/66/57/98/1152665798.db2.gz JNAXSVVFQLPOQZ-ZIAGYGMSSA-N 0 3 301.862 2.048 20 30 DEEDHN C=CC[C@H](CO)C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823888409 608525506 /nfs/dbraw/zinc/52/55/06/608525506.db2.gz LRTPQBYVCQIEHA-LRDDRELGSA-N 0 3 313.405 2.018 20 30 DEEDHN C=CC[C@H](CO)C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823888409 608525507 /nfs/dbraw/zinc/52/55/07/608525507.db2.gz LRTPQBYVCQIEHA-LRDDRELGSA-N 0 3 313.405 2.018 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C ZINC001355257691 1151996085 /nfs/dbraw/zinc/99/60/85/1151996085.db2.gz FOEUZUKZWVSUIS-KKUMJFAQSA-N 0 3 303.454 2.251 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001023468286 625283973 /nfs/dbraw/zinc/28/39/73/625283973.db2.gz OYANYMYBCKMKQX-JTQLQIEISA-N 0 3 317.311 2.321 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nccc3occc32)C1 ZINC001023503559 625301634 /nfs/dbraw/zinc/30/16/34/625301634.db2.gz RSPQHTRARDLTNT-CQSZACIVSA-N 0 3 311.385 2.293 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1ccon1 ZINC001025251162 625306826 /nfs/dbraw/zinc/30/68/26/625306826.db2.gz HRMCABQYLYFCAH-IRXDYDNUSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cncc(C#C)c1 ZINC001025270041 625315748 /nfs/dbraw/zinc/31/57/48/625315748.db2.gz ZVHWDTAFYQHGNA-RBUKOAKNSA-N 0 3 321.424 2.155 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001025285374 625326811 /nfs/dbraw/zinc/32/68/11/625326811.db2.gz UIAZTBYPJOHHQG-CVEARBPZSA-N 0 3 300.406 2.122 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001025286036 625324295 /nfs/dbraw/zinc/32/42/95/625324295.db2.gz XUKJYBJAJNVXKI-GJZGRUSLSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1nocc1C ZINC001025286509 625324358 /nfs/dbraw/zinc/32/43/58/625324358.db2.gz JSHBFCOZULZICO-JKSUJKDBSA-N 0 3 315.417 2.465 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H]2CCCN(C[C@@H](F)CC)C2)c1 ZINC001023584005 625333155 /nfs/dbraw/zinc/33/31/55/625333155.db2.gz SURCPVJPLDTZCH-WBVHZDCISA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cn(C(C)C)nc2C)C1 ZINC001023697874 625393910 /nfs/dbraw/zinc/39/39/10/625393910.db2.gz JEUSOQZMIYAJRG-MRXNPFEDSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2csnc2C)C1 ZINC001025384607 625396010 /nfs/dbraw/zinc/39/60/10/625396010.db2.gz IFDOUOPKIGUXAG-GXTWGEPZSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c(F)cccc2F)C[C@H]1C ZINC000947666304 625409748 /nfs/dbraw/zinc/40/97/48/625409748.db2.gz DFTRYTBBNGZEQF-KGLIPLIRSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001023751467 625422065 /nfs/dbraw/zinc/42/20/65/625422065.db2.gz LVHULQPWLHHWRP-ZDUSSCGKSA-N 0 3 307.825 2.236 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001025432268 625429102 /nfs/dbraw/zinc/42/91/02/625429102.db2.gz SYEGCBAQFJUELJ-JKSUJKDBSA-N 0 3 316.449 2.003 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001023771507 625431838 /nfs/dbraw/zinc/43/18/38/625431838.db2.gz OQSKQSOJELKQGY-GVLSGGHMSA-N 0 3 300.446 2.130 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2COc3ccccc32)C1 ZINC001023775891 625434350 /nfs/dbraw/zinc/43/43/50/625434350.db2.gz LHIVKAVEAMSIJM-RDJZCZTQSA-N 0 3 312.413 2.014 20 30 DEEDHN C#CCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893303662 625434590 /nfs/dbraw/zinc/43/45/90/625434590.db2.gz RPWGNVBIYKRRAQ-KRWDZBQOSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001025439860 625437033 /nfs/dbraw/zinc/43/70/33/625437033.db2.gz ODJQYQITSMXDMG-RYUDHWBXSA-N 0 3 322.840 2.089 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CC)n2)C1 ZINC001025442239 625437902 /nfs/dbraw/zinc/43/79/02/625437902.db2.gz KDIBPLCXVJNYRM-JKSUJKDBSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2onc(C)c2C)C1 ZINC001025452623 625447980 /nfs/dbraw/zinc/44/79/80/625447980.db2.gz MQLUHINEVOKIFY-HUUCEWRRSA-N 0 3 303.406 2.145 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001025455460 625450000 /nfs/dbraw/zinc/45/00/00/625450000.db2.gz DRRIRPADQAWVAM-GJZGRUSLSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459802 625452863 /nfs/dbraw/zinc/45/28/63/625452863.db2.gz SQOQZIRHGKJIKA-LSDHHAIUSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)C[C@@H]1C ZINC000947685855 625453131 /nfs/dbraw/zinc/45/31/31/625453131.db2.gz QBKNNPJRCOEQAY-YOEHRIQHSA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001025465314 625459656 /nfs/dbraw/zinc/45/96/56/625459656.db2.gz ULQKAHCVBNHYQO-LSDHHAIUSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)C[C@H]1C ZINC000947596938 625461943 /nfs/dbraw/zinc/46/19/43/625461943.db2.gz DQJYWUZCGVYILQ-UKRRQHHQSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001025478065 625469620 /nfs/dbraw/zinc/46/96/20/625469620.db2.gz MMMQSJOCKXGQGL-KGLIPLIRSA-N 0 3 317.433 2.436 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001025480332 625473641 /nfs/dbraw/zinc/47/36/41/625473641.db2.gz SZYHSDZNDNMYEC-WBVHZDCISA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C(C)C)on2)C1 ZINC001025494696 625483203 /nfs/dbraw/zinc/48/32/03/625483203.db2.gz AHNDNQRUGWOMIC-KBPBESRZSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2occ3c2CCC3)C1 ZINC001025493552 625484339 /nfs/dbraw/zinc/48/43/39/625484339.db2.gz PDOXDYRNTCDOPV-UONOGXRCSA-N 0 3 300.402 2.232 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(NC(C)=O)c2C)C1 ZINC000972723224 625493640 /nfs/dbraw/zinc/49/36/40/625493640.db2.gz ILRFEVUIPXDWRF-HNNXBMFYSA-N 0 3 315.417 2.286 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC000972739108 625510701 /nfs/dbraw/zinc/51/07/01/625510701.db2.gz AFPVFUFIXZQGDY-WMLDXEAASA-N 0 3 300.402 2.017 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2nc(CC)oc2C)C1 ZINC001025556613 625546322 /nfs/dbraw/zinc/54/63/22/625546322.db2.gz WLPCJEUUUIJBEE-DZGCQCFKSA-N 0 3 317.433 2.399 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001020400074 622589315 /nfs/dbraw/zinc/58/93/15/622589315.db2.gz AFYLYWFMVCDHHW-HAQNSBGRSA-N 0 3 309.797 2.463 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC000969151190 622590737 /nfs/dbraw/zinc/59/07/37/622590737.db2.gz RSGPYZKKZVOEIW-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CNCc2cc(OC)no2)C1 ZINC001024093770 625579176 /nfs/dbraw/zinc/57/91/76/625579176.db2.gz BAMRWKDMDSVMKA-ZDUSSCGKSA-N 0 3 321.421 2.224 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000969199961 622619585 /nfs/dbraw/zinc/61/95/85/622619585.db2.gz JZJVRRSMWKKWPS-SNVBAGLBSA-N 0 3 302.321 2.204 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001025582375 625591651 /nfs/dbraw/zinc/59/16/51/625591651.db2.gz RXVVFFIZYRURLR-WFASDCNBSA-N 0 3 315.417 2.324 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001020516965 622757059 /nfs/dbraw/zinc/75/70/59/622757059.db2.gz VJXMCOQYDHSMNY-WRWGMCAJSA-N 0 3 319.218 2.270 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001025584066 625594077 /nfs/dbraw/zinc/59/40/77/625594077.db2.gz DUBOMDGWAPAGSQ-HUUCEWRRSA-N 0 3 316.449 2.007 20 30 DEEDHN Cc1ccccc1CN1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969506990 622798961 /nfs/dbraw/zinc/79/89/61/622798961.db2.gz WAQCEJXEDWUDQE-AWEZNQCLSA-N 0 3 322.412 2.445 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnoc2C2CC2)C1 ZINC001025585476 625597196 /nfs/dbraw/zinc/59/71/96/625597196.db2.gz OVBGPLQFVXRXHN-HIFRSBDPSA-N 0 3 315.417 2.406 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](CNCc2ccn(C)n2)C1 ZINC001024135110 625614489 /nfs/dbraw/zinc/61/44/89/625614489.db2.gz JEKCIDVKIMMARN-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2COC)C1 ZINC000970043166 623072710 /nfs/dbraw/zinc/07/27/10/623072710.db2.gz XRHNOECNDSYXLH-CQSZACIVSA-N 0 3 302.418 2.459 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@H](CC)OC)CC2)C1 ZINC000949313873 623203459 /nfs/dbraw/zinc/20/34/59/623203459.db2.gz CKSSAXWDTRCVGO-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001021030094 623293029 /nfs/dbraw/zinc/29/30/29/623293029.db2.gz NNRIGOLVGTWTSG-JOCQHMNTSA-N 0 3 318.808 2.246 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnc3onc(C)c3c2)C1 ZINC000970249320 623357442 /nfs/dbraw/zinc/35/74/42/623357442.db2.gz VPWYGZWPIWDBHT-LLVKDONJSA-N 0 3 314.389 2.157 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC000970310052 623397675 /nfs/dbraw/zinc/39/76/75/623397675.db2.gz MPASZIWHUDDDDY-UONOGXRCSA-N 0 3 312.413 2.256 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2OC)C1 ZINC000970338577 623406041 /nfs/dbraw/zinc/40/60/41/623406041.db2.gz DSTFFIVERYNFJO-GFCCVEGCSA-N 0 3 320.820 2.422 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000970365706 623420559 /nfs/dbraw/zinc/42/05/59/623420559.db2.gz FDBBBMVHKUIWEP-CYBMUJFWSA-N 0 3 318.465 2.344 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(F)c(COC)c2)C1 ZINC000970404557 623440279 /nfs/dbraw/zinc/44/02/79/623440279.db2.gz PTUZWTYMLBNMBH-CYBMUJFWSA-N 0 3 318.392 2.046 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC000970423028 623448924 /nfs/dbraw/zinc/44/89/24/623448924.db2.gz MSZKEFKPWNFRMI-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC001025615641 625652327 /nfs/dbraw/zinc/65/23/27/625652327.db2.gz WQVPRMAPMIOVKS-HUUCEWRRSA-N 0 3 324.428 2.417 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC000970545186 623531868 /nfs/dbraw/zinc/53/18/68/623531868.db2.gz WVCLQMWYLVZYSK-ZDUSSCGKSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnn(CC(C)C)c2)C1 ZINC000970652472 623596605 /nfs/dbraw/zinc/59/66/05/623596605.db2.gz YBQJUQUJTRWSRP-AWEZNQCLSA-N 0 3 304.438 2.165 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(F)c2OCC)C1 ZINC000970654326 623597451 /nfs/dbraw/zinc/59/74/51/623597451.db2.gz JNPXSNWVFRGILN-CYBMUJFWSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn3c2CCCC3)C[C@@H]1C ZINC000947396573 623601704 /nfs/dbraw/zinc/60/17/04/623601704.db2.gz 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/nfs/dbraw/zinc/71/87/15/623718715.db2.gz ZDUMCZJUSAJYRM-RDJZCZTQSA-N 0 3 302.418 2.017 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000970824216 623725255 /nfs/dbraw/zinc/72/52/55/623725255.db2.gz GHEOCRADTBZDBE-AWEZNQCLSA-N 0 3 313.445 2.305 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)nc2)C1 ZINC001021543462 623727452 /nfs/dbraw/zinc/72/74/52/623727452.db2.gz YXGFZGUASHTSOA-CVEARBPZSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2oc(C)cc2C)C1 ZINC001021553821 623743289 /nfs/dbraw/zinc/74/32/89/623743289.db2.gz JRSWLMQKIGRFCX-HZPDHXFCSA-N 0 3 300.402 2.456 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2sc(CCC)nc2C)C1 ZINC000970872183 623754219 /nfs/dbraw/zinc/75/42/19/623754219.db2.gz LPQHKLYPQKCTMZ-GFCCVEGCSA-N 0 3 319.474 2.477 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(OC)ns2)C1 ZINC001021594568 623800825 /nfs/dbraw/zinc/80/08/25/623800825.db2.gz NGKGUMBTECOYIM-STQMWFEESA-N 0 3 321.446 2.264 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(C)cc2)C1 ZINC001021622050 623845599 /nfs/dbraw/zinc/84/55/99/623845599.db2.gz HBCIVRBMXDIOAU-RBUKOAKNSA-N 0 3 310.441 2.484 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(F)c[nH]2)C1 ZINC001021637430 623878377 /nfs/dbraw/zinc/87/83/77/623878377.db2.gz CTTWIEZCRGZGIW-BBRMVZONSA-N 0 3 303.381 2.104 20 30 DEEDHN COc1cccc([C@H](C)CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000175945343 623879825 /nfs/dbraw/zinc/87/98/25/623879825.db2.gz LQKOCQCYCYIFSJ-DOMZBBRYSA-N 0 3 302.374 2.422 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C(C)C)cn2)C1 ZINC001021640919 623883865 /nfs/dbraw/zinc/88/38/65/623883865.db2.gz YUAFNHSNHYVFMG-RDJZCZTQSA-N 0 3 314.433 2.024 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2=CCOCC2)C1 ZINC001021667084 623923194 /nfs/dbraw/zinc/92/31/94/623923194.db2.gz YUHWCGDGDBXXFM-ROUUACIJSA-N 0 3 316.445 2.059 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932921203 623936563 /nfs/dbraw/zinc/93/65/63/623936563.db2.gz 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C#CCN(C)[C@H]1CCCN(C(=O)c2c(F)ccc(OC)c2F)C1 ZINC001027655177 634394801 /nfs/dbraw/zinc/39/48/01/634394801.db2.gz NKODNMUBEOKRKT-LBPRGKRZSA-N 0 3 322.355 2.143 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC000971829854 624622716 /nfs/dbraw/zinc/62/27/16/624622716.db2.gz UKTGBIFLLHPIFI-UKRRQHHQSA-N 0 3 304.438 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001022438045 624661750 /nfs/dbraw/zinc/66/17/50/624661750.db2.gz CUFIEJKZQQBBQA-AOOOYVTPSA-N 0 3 321.764 2.136 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001022442169 624665155 /nfs/dbraw/zinc/66/51/55/624665155.db2.gz JEKSZYFUFCMLDM-TXEJJXNPSA-N 0 3 309.797 2.463 20 30 DEEDHN CCOCCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000176092718 624669408 /nfs/dbraw/zinc/66/94/08/624669408.db2.gz JAZMEBCXGMIZLS-LBPRGKRZSA-N 0 3 304.346 2.159 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000971892861 624696052 /nfs/dbraw/zinc/69/60/52/624696052.db2.gz 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CC#CCN1CC[C@@H](NC(=O)C2(c3cccnc3)CC2)C[C@H]1C ZINC000947639213 625028651 /nfs/dbraw/zinc/02/86/51/625028651.db2.gz NXGFJNSNVHDNHX-NVXWUHKLSA-N 0 3 311.429 2.106 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2snnc2C(C)C)C1 ZINC001022880357 625061943 /nfs/dbraw/zinc/06/19/43/625061943.db2.gz TYSPDBWZKGHGLC-AOOOYVTPSA-N 0 3 314.842 2.264 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)cn2C)C[C@@H]1C ZINC000947519345 625078383 /nfs/dbraw/zinc/07/83/83/625078383.db2.gz DYSWVXKWCWIOFP-JSGCOSHPSA-N 0 3 307.825 2.285 20 30 DEEDHN CSCC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024857579 625084680 /nfs/dbraw/zinc/08/46/80/625084680.db2.gz JNRKFKHTCZUVSK-GFCCVEGCSA-N 0 3 323.487 2.453 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2noc3c2CCCCC3)C1 ZINC000972453079 625091479 /nfs/dbraw/zinc/09/14/79/625091479.db2.gz ILYSMUSXTQLGEC-CYBMUJFWSA-N 0 3 303.406 2.276 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(F)cccc2NC(C)=O)C1 ZINC000972472246 625109166 /nfs/dbraw/zinc/10/91/66/625109166.db2.gz LZBVZEYCDBDUKO-CYBMUJFWSA-N 0 3 319.380 2.116 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001022944715 625111666 /nfs/dbraw/zinc/11/16/66/625111666.db2.gz SMCDIODUMYXJEQ-FQUUOJAGSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC000972482123 625115815 /nfs/dbraw/zinc/11/58/15/625115815.db2.gz FFWJQBYYMMJMSR-ZDUSSCGKSA-N 0 3 311.385 2.273 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc(C)nc2C(C)C)C1 ZINC000972484863 625119247 /nfs/dbraw/zinc/11/92/47/625119247.db2.gz FOYPPGFFHQHCTP-CQSZACIVSA-N 0 3 302.422 2.241 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2COC)C1 ZINC001022972082 625122371 /nfs/dbraw/zinc/12/23/71/625122371.db2.gz BIZADLIRDRSONS-TXEJJXNPSA-N 0 3 314.838 2.497 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001023034012 625140756 /nfs/dbraw/zinc/14/07/56/625140756.db2.gz XDVRSMDTOYNLAU-RTXFEEFZSA-N 0 3 322.840 2.068 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)Nc1ccccn1 ZINC000892550150 625140904 /nfs/dbraw/zinc/14/09/04/625140904.db2.gz ADZKRLYADVTVBD-QWHCGFSZSA-N 0 3 313.357 2.221 20 30 DEEDHN N#Cc1ccnc(N2CCN(CCCCCCCO)CC2)c1 ZINC000743841572 625146364 /nfs/dbraw/zinc/14/63/64/625146364.db2.gz XDWXUCHZOCDCIE-UHFFFAOYSA-N 0 3 302.422 2.018 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001023090330 625153594 /nfs/dbraw/zinc/15/35/94/625153594.db2.gz OAYMSTYLLOYMOO-TXEJJXNPSA-N 0 3 320.780 2.273 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001025037462 625154607 /nfs/dbraw/zinc/15/46/07/625154607.db2.gz FRJSDTFADCHCNN-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN C#Cc1ccc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC000934919550 625159251 /nfs/dbraw/zinc/15/92/51/625159251.db2.gz ZGHUCPXDJLNHPU-KRWDZBQOSA-N 0 3 313.401 2.043 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001023155757 625170558 /nfs/dbraw/zinc/17/05/58/625170558.db2.gz QXPRXGMTLAMBPF-MELADBBJSA-N 0 3 310.829 2.050 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001023167934 625175102 /nfs/dbraw/zinc/17/51/02/625175102.db2.gz DRZDLYSOIBAOHW-HONMWMINSA-N 0 3 324.856 2.130 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001023368214 625241073 /nfs/dbraw/zinc/24/10/73/625241073.db2.gz JNDOJCPTFZMHHL-AWEZNQCLSA-N 0 3 317.433 2.437 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001023379210 625245631 /nfs/dbraw/zinc/24/56/31/625245631.db2.gz HTMCVBRADDVFGC-ZJPYXAASSA-N 0 3 300.446 2.440 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001023400189 625254481 /nfs/dbraw/zinc/25/44/81/625254481.db2.gz CFMPPUNKVCCWLM-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2sc3nccn3c2C)C1 ZINC001023418609 625261310 /nfs/dbraw/zinc/26/13/10/625261310.db2.gz HLKIJLOJTLRVBX-CYBMUJFWSA-N 0 3 318.446 2.332 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)COC1CCCC1 ZINC001025205695 625262154 /nfs/dbraw/zinc/26/21/54/625262154.db2.gz WKUZGHQQBHYMRE-ROUUACIJSA-N 0 3 318.461 2.424 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)noc2C2CC2)C[C@@H]1C ZINC000947555328 625264161 /nfs/dbraw/zinc/26/41/61/625264161.db2.gz JMOLJXORAYOKBK-SWLSCSKDSA-N 0 3 315.417 2.466 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cocn1 ZINC001025208903 625265984 /nfs/dbraw/zinc/26/59/84/625265984.db2.gz FWJIFKMCVBNUBC-HOTGVXAUSA-N 0 3 301.390 2.157 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001023443325 625269925 /nfs/dbraw/zinc/26/99/25/625269925.db2.gz JKKNWACQSBPICN-CQSZACIVSA-N 0 3 305.447 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cc(C)on1 ZINC001025214308 625272326 /nfs/dbraw/zinc/27/23/26/625272326.db2.gz XUTVEBMQMYAMEF-IAGOWNOFSA-N 0 3 315.417 2.004 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001023453678 625275839 /nfs/dbraw/zinc/27/58/39/625275839.db2.gz FMTZYUZNMUQSPR-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN CCN(C(=O)NCc1ccc(C)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000926871990 625753258 /nfs/dbraw/zinc/75/32/58/625753258.db2.gz ZHTKINYBBXHONM-INIZCTEOSA-N 0 3 300.406 2.102 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001024430380 625765396 /nfs/dbraw/zinc/76/53/96/625765396.db2.gz ZUNUMHLNLXNFOO-HNNXBMFYSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001024447391 625771985 /nfs/dbraw/zinc/77/19/85/625771985.db2.gz VTZSCSCCYHUYHX-AWEZNQCLSA-N 0 3 316.449 2.315 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2csc(C3CC3)n2)C1 ZINC001027701312 634456801 /nfs/dbraw/zinc/45/68/01/634456801.db2.gz UNPAXKBTHHHXIC-CYBMUJFWSA-N 0 3 303.431 2.190 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001024536622 625852723 /nfs/dbraw/zinc/85/27/23/625852723.db2.gz QIIYPDHOTZFRIW-SFHVURJKSA-N 0 3 314.429 2.441 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001024571959 625896240 /nfs/dbraw/zinc/89/62/40/625896240.db2.gz NAZVMXALCXFHKN-AWEZNQCLSA-N 0 3 311.385 2.435 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC001024576408 625899910 /nfs/dbraw/zinc/89/99/10/625899910.db2.gz SKRPPZYCQVQFJC-HNNXBMFYSA-N 0 3 322.412 2.237 20 30 DEEDHN COc1ccc2c(c1)CC[C@H](C(=O)C(C#N)C(=O)NC(C)C)C2 ZINC000892500965 625912831 /nfs/dbraw/zinc/91/28/31/625912831.db2.gz ILYGCCZPSAEUNJ-HOCLYGCPSA-N 0 3 314.385 2.034 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2cccc(F)c2F)C1 ZINC001027705355 634463670 /nfs/dbraw/zinc/46/36/70/634463670.db2.gz QKMFUKGVCJDHCK-HNNXBMFYSA-N 0 3 320.383 2.453 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(C)cc(=O)oc2C)C1 ZINC000999084053 634473694 /nfs/dbraw/zinc/47/36/94/634473694.db2.gz JKNLTBGNJGNPMN-UHFFFAOYSA-N 0 3 324.808 2.202 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCc2ccc(Cl)nc2)C1 ZINC000999128267 634483286 /nfs/dbraw/zinc/48/32/86/634483286.db2.gz MLPHYCQUEWMCJX-HNNXBMFYSA-N 0 3 317.820 2.229 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000979032187 634486063 /nfs/dbraw/zinc/48/60/63/634486063.db2.gz YZECQZUOYRSUOR-OWZKRDHZSA-N 0 3 322.452 2.496 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(Cl)cn3CC)[C@@H]2C1 ZINC000979058464 634489010 /nfs/dbraw/zinc/48/90/10/634489010.db2.gz MPGHGDDWKSWIIS-QKDCVEJESA-N 0 3 319.836 2.092 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N(C)C1CC(NCc2ccc(C#N)cc2F)C1 ZINC000999243892 634532629 /nfs/dbraw/zinc/53/26/29/634532629.db2.gz IWOSQCQDUICCNT-UTMSUHPFSA-N 0 3 315.392 2.432 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCC[C@H](NCc2ccccn2)C1 ZINC000999360822 634566140 /nfs/dbraw/zinc/56/61/40/634566140.db2.gz RHIYBQLNCUFGEP-KRWDZBQOSA-N 0 3 324.428 2.464 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2cccnc2C)C1 ZINC000999398316 634579363 /nfs/dbraw/zinc/57/93/63/634579363.db2.gz VBCCBBGDZPYYON-UHFFFAOYSA-N 0 3 307.825 2.264 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CC23CC3)C1 ZINC000999458589 634597008 /nfs/dbraw/zinc/59/70/08/634597008.db2.gz WYUCSDVOYOGJOR-HTAVTVPLSA-N 0 3 313.239 2.274 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1CCC[C@H](NCCF)C1 ZINC000999531259 634632192 /nfs/dbraw/zinc/63/21/92/634632192.db2.gz MBNDIZHQAKGAFT-AWEZNQCLSA-N 0 3 306.381 2.415 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnc(C)nc2C)C1 ZINC000999566342 634633548 /nfs/dbraw/zinc/63/35/48/634633548.db2.gz MLYVASZWOGSZTP-UHFFFAOYSA-N 0 3 308.813 2.039 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cocn3)C[C@@H]2C1 ZINC000979591552 634706607 /nfs/dbraw/zinc/70/66/07/634706607.db2.gz YMRCMJLUIDVNRV-YNEHKIRRSA-N 0 3 309.797 2.257 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@H](NCc3cn(C)nc3C)C2)C1 ZINC001000129694 634759002 /nfs/dbraw/zinc/75/90/02/634759002.db2.gz ZOIQTJAAJALVQD-INIZCTEOSA-N 0 3 316.449 2.165 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3[nH]ccc3C3CC3)CC2)CC1 ZINC001000171390 634776165 /nfs/dbraw/zinc/77/61/65/634776165.db2.gz GXJHUPXXFOSILT-UHFFFAOYSA-N 0 3 311.429 2.500 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COc2ccc(F)c(F)c2)cs1 ZINC000921696898 634779211 /nfs/dbraw/zinc/77/92/11/634779211.db2.gz CMUWCYFBFKPLEU-LLVKDONJSA-N 0 3 324.352 2.427 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3onc(C)c3C)CC2)CC1 ZINC001000185231 634782894 /nfs/dbraw/zinc/78/28/94/634782894.db2.gz NRKOAHTVUDIPRW-UHFFFAOYSA-N 0 3 315.417 2.289 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000836356766 650083028 /nfs/dbraw/zinc/08/30/28/650083028.db2.gz GPIFVTAOZGQCRY-CQSZACIVSA-N 0 3 321.808 2.028 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Cl)c(C)c1 ZINC000836398675 650087193 /nfs/dbraw/zinc/08/71/93/650087193.db2.gz HFVHJWRFFGGVBX-UHFFFAOYSA-N 0 3 307.825 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000836470594 650095304 /nfs/dbraw/zinc/09/53/04/650095304.db2.gz BQCQRQZIGDIFKD-SFHVURJKSA-N 0 3 313.445 2.435 20 30 DEEDHN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001024692569 632923539 /nfs/dbraw/zinc/92/35/39/632923539.db2.gz OYFHFPNRIZETPJ-MSOLQXFVSA-N 0 3 319.493 2.243 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001024692590 632924161 /nfs/dbraw/zinc/92/41/61/632924161.db2.gz PFHJKQCXWALQAO-OAHLLOKOSA-N 0 3 315.417 2.006 20 30 DEEDHN Cc1cncc(CN[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)c1 ZINC000995796981 633118208 /nfs/dbraw/zinc/11/82/08/633118208.db2.gz JJTMSDCAMLXCRW-KRWDZBQOSA-N 0 3 311.429 2.130 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995920403 633139491 /nfs/dbraw/zinc/13/94/91/633139491.db2.gz BFHPKTOXUUVRTH-YRGRVCCFSA-N 0 3 322.840 2.092 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)C(C)(C)C1 ZINC000974623442 633188849 /nfs/dbraw/zinc/18/88/49/633188849.db2.gz JEFGKBLFNWSSIP-MRXNPFEDSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)C(C)(C)C1 ZINC000974651913 633208958 /nfs/dbraw/zinc/20/89/58/633208958.db2.gz NOGSCRMLUAGJNP-OAHLLOKOSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000996228660 633215928 /nfs/dbraw/zinc/21/59/28/633215928.db2.gz RMFGCZGHEWMCJP-MAUKXSAKSA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)C(C)(C)C1 ZINC000974716982 633261694 /nfs/dbraw/zinc/26/16/94/633261694.db2.gz UDRSRWZBUGWRFO-QGZVFWFLSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccnc(O[C@H](C)CC)c2)C1 ZINC001015963172 633289632 /nfs/dbraw/zinc/28/96/32/633289632.db2.gz LUYJRUJMAGRFLJ-GDBMZVCRSA-N 0 3 315.417 2.086 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CNCc3cnc(C)o3)C2)cc1 ZINC001026983918 633327787 /nfs/dbraw/zinc/32/77/87/633327787.db2.gz DENYFUJGAOXPPM-MRXNPFEDSA-N 0 3 323.396 2.216 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001026988569 633334201 /nfs/dbraw/zinc/33/42/01/633334201.db2.gz KAMOXQOENHDVMO-OCCSQVGLSA-N 0 3 319.453 2.215 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CCCF)CC2(C)C)cc1 ZINC000974929461 633372800 /nfs/dbraw/zinc/37/28/00/633372800.db2.gz JSYWPACVZGLGDT-INIZCTEOSA-N 0 3 302.393 2.468 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CN[C@@H](C)c3cnccn3)C2)C1 ZINC001027050649 633377423 /nfs/dbraw/zinc/37/74/23/633377423.db2.gz HOLLCIHQULLIFS-LSDHHAIUSA-N 0 3 314.433 2.332 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CN[C@H](C)c3cnccn3)C2)C1 ZINC001027050646 633377830 /nfs/dbraw/zinc/37/78/30/633377830.db2.gz HOLLCIHQULLIFS-CABCVRRESA-N 0 3 314.433 2.332 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(C)c2CC)C(C)(C)C1 ZINC000975048567 633398713 /nfs/dbraw/zinc/39/87/13/633398713.db2.gz JBLXETLXDYQPQG-INIZCTEOSA-N 0 3 301.434 2.051 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC=C(C)C)CC1(C)C ZINC000975059998 633403694 /nfs/dbraw/zinc/40/36/94/633403694.db2.gz YJKGSDBBKDKSIT-OWCLPIDISA-N 0 3 306.450 2.370 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(N[C@H](C)c3nnc(C)[nH]3)CC2)C1 ZINC000996973869 633550125 /nfs/dbraw/zinc/55/01/25/633550125.db2.gz OAGTVDJWKIXEMN-GFCCVEGCSA-N 0 3 317.437 2.111 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027319548 633647913 /nfs/dbraw/zinc/64/79/13/633647913.db2.gz KLMGWDVUBPXUSR-WMLDXEAASA-N 0 3 315.417 2.016 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccc3nccn32)CC1 ZINC000997218396 633679159 /nfs/dbraw/zinc/67/91/59/633679159.db2.gz BGCLMUDZVWGTTI-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027404523 633745375 /nfs/dbraw/zinc/74/53/75/633745375.db2.gz BKPFLTFOXPESEL-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccccc2N(C)C)CC1 ZINC000997450081 633765822 /nfs/dbraw/zinc/76/58/22/633765822.db2.gz RSKUVVLMWTVELV-OAHLLOKOSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)c(F)cc2F)C1 ZINC001027460878 633828309 /nfs/dbraw/zinc/82/83/09/633828309.db2.gz QKDYMQGMYORYMB-CYBMUJFWSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1 ZINC001027478980 633862943 /nfs/dbraw/zinc/86/29/43/633862943.db2.gz ZQUHOMLIMSKTHY-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001027493552 633883984 /nfs/dbraw/zinc/88/39/84/633883984.db2.gz IXAZQYUZRXSPCL-WMZOPIPTSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnn3ccc(C)cc23)CC1 ZINC000997629324 633903754 /nfs/dbraw/zinc/90/37/54/633903754.db2.gz DCNIUILYHYMIBZ-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccn(CC)c2C)CC1 ZINC000997723900 633952261 /nfs/dbraw/zinc/95/22/61/633952261.db2.gz GHILDDMTYLVYPL-AWEZNQCLSA-N 0 3 301.434 2.280 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cn(CC)nc2C)CC1 ZINC000997781112 633972549 /nfs/dbraw/zinc/97/25/49/633972549.db2.gz WDUYPXTZCYOSGW-AWEZNQCLSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnn(CC(C)C)c2)CC1 ZINC000997809740 633993649 /nfs/dbraw/zinc/99/36/49/633993649.db2.gz NFSZYWCBPLMOOW-HNNXBMFYSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2oc(CC)nc2C)CC1 ZINC000997823154 634000955 /nfs/dbraw/zinc/00/09/55/634000955.db2.gz CYPNFYZRLKOPOZ-LBPRGKRZSA-N 0 3 303.406 2.009 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC[C@@H](C)F)CC2(C)C)cn1 ZINC000977527863 634026828 /nfs/dbraw/zinc/02/68/28/634026828.db2.gz UCXXMECNNCWXOV-CJNGLKHVSA-N 0 3 317.408 2.251 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)cc2OC)C(C)(C)C1 ZINC000977528848 634028157 /nfs/dbraw/zinc/02/81/57/634028157.db2.gz VYVIABYYFHJIMH-KRWDZBQOSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCCOC2)CC1 ZINC000997953484 634076689 /nfs/dbraw/zinc/07/66/89/634076689.db2.gz HCLAMJBZROLSCT-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)C(C)(C)C1 ZINC000977665579 634093199 /nfs/dbraw/zinc/09/31/99/634093199.db2.gz XPDQBROQBPMRAP-HZPDHXFCSA-N 0 3 318.465 2.464 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2c(C)ncn2C)CC1 ZINC000998039253 634119767 /nfs/dbraw/zinc/11/97/67/634119767.db2.gz DPCYLQXSAZMMPE-MRXNPFEDSA-N 0 3 316.449 2.068 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccsn2)CC1 ZINC000998039005 634120211 /nfs/dbraw/zinc/12/02/11/634120211.db2.gz ZWTBRXUQXCBDCF-CQSZACIVSA-N 0 3 305.447 2.483 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000998073714 634130662 /nfs/dbraw/zinc/13/06/62/634130662.db2.gz VMDACFPPDBRNEJ-XLAORIBOSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)nc(C)n2)CC1 ZINC000998149179 634154645 /nfs/dbraw/zinc/15/46/45/634154645.db2.gz GXAIOELPERYENY-INIZCTEOSA-N 0 3 314.433 2.043 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2(C3CC3)CCOCC2)CC1 ZINC000948649085 634158534 /nfs/dbraw/zinc/15/85/34/634158534.db2.gz YYYITULRYWYOJI-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C)on2)CC[C@H]1C(F)(F)F ZINC000998230451 634178021 /nfs/dbraw/zinc/17/80/21/634178021.db2.gz ZZLGYPHKLFPERF-ZYHUDNBSSA-N 0 3 317.311 2.152 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027576747 634178758 /nfs/dbraw/zinc/17/87/58/634178758.db2.gz VWBQNQHMVOHIIN-DZGCQCFKSA-N 0 3 313.873 2.004 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccoc2)CC[C@@H]1C(F)(F)F ZINC000998238954 634182274 /nfs/dbraw/zinc/18/22/74/634182274.db2.gz QJSZADRQFRWWBU-QWHCGFSZSA-N 0 3 316.323 2.377 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ncoc2C)CC[C@H]1C(F)(F)F ZINC000998239355 634182334 /nfs/dbraw/zinc/18/23/34/634182334.db2.gz BMLGGSDCJIVCGN-MNOVXSKESA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)Cc2ccoc2)CC[C@@H]1C(F)(F)F ZINC000998238955 634182586 /nfs/dbraw/zinc/18/25/86/634182586.db2.gz QJSZADRQFRWWBU-STQMWFEESA-N 0 3 316.323 2.377 20 30 DEEDHN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC000946490655 634185057 /nfs/dbraw/zinc/18/50/57/634185057.db2.gz UCHLQGNJXJOYQF-GASCZTMLSA-N 0 3 300.402 2.362 20 30 DEEDHN C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC000946490655 634185062 /nfs/dbraw/zinc/18/50/62/634185062.db2.gz UCHLQGNJXJOYQF-GASCZTMLSA-N 0 3 300.402 2.362 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2oncc2C)CC[C@@H]1C(F)(F)F ZINC000998317785 634210079 /nfs/dbraw/zinc/21/00/79/634210079.db2.gz WUNLRCQCOQMGHQ-WDEREUQCSA-N 0 3 317.311 2.152 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1F ZINC000998346956 634226369 /nfs/dbraw/zinc/22/63/69/634226369.db2.gz AFSXQDJTLMFSQM-OAHLLOKOSA-N 0 3 301.365 2.188 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(F)cc3F)[C@@H]2C1 ZINC000978331573 634283572 /nfs/dbraw/zinc/28/35/72/634283572.db2.gz HPDIXAXCJBEMLQ-QKDCVEJESA-N 0 3 318.367 2.204 20 30 DEEDHN CC(C)C(=O)N(C)C1CC(NCc2cc(C#N)ccc2F)C1 ZINC000998471460 634284401 /nfs/dbraw/zinc/28/44/01/634284401.db2.gz OFQXQBHGGDZNSZ-UHFFFAOYSA-N 0 3 303.381 2.432 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cncn3C)C[C@@H]2C1 ZINC000980140427 634858811 /nfs/dbraw/zinc/85/88/11/634858811.db2.gz BNCXPFAWEZJTEO-MJBXVCDLSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cncn3C)C[C@@H]2C1 ZINC000980140420 634859187 /nfs/dbraw/zinc/85/91/87/634859187.db2.gz BNCXPFAWEZJTEO-BFHYXJOUSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cccnn3)C[C@H]2C1 ZINC000980205715 634894219 /nfs/dbraw/zinc/89/42/19/634894219.db2.gz QRYHFJGISKABTQ-MELADBBJSA-N 0 3 320.824 2.059 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccc3c(c2)CCC3)C1 ZINC000980317736 634947076 /nfs/dbraw/zinc/94/70/76/634947076.db2.gz UQNGPGFEDJSFGL-QGZVFWFLSA-N 0 3 314.429 2.273 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2cccc(CC)c2)C1 ZINC000980330014 634956809 /nfs/dbraw/zinc/95/68/09/634956809.db2.gz BKSOXZWIDRQQRH-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C[C@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)c1cocn1 ZINC000980436112 635004641 /nfs/dbraw/zinc/00/46/41/635004641.db2.gz RDINZUVIRFZMJX-KBPBESRZSA-N 0 3 324.384 2.187 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001027936187 635006975 /nfs/dbraw/zinc/00/69/75/635006975.db2.gz ZDKCCLKZPDZNJW-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001027938855 635015359 /nfs/dbraw/zinc/01/53/59/635015359.db2.gz BMRBUGGGWOPPJN-DOTOQJQBSA-N 0 3 313.445 2.377 20 30 DEEDHN Cc1nc(CNC[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)cs1 ZINC000980567401 635046062 /nfs/dbraw/zinc/04/60/62/635046062.db2.gz NIOWMLSHWMKTCF-DOMZBBRYSA-N 0 3 317.458 2.192 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001027968236 635112650 /nfs/dbraw/zinc/11/26/50/635112650.db2.gz MVNVBRFXZCPVMH-NSHDSACASA-N 0 3 310.348 2.185 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001027976590 635139516 /nfs/dbraw/zinc/13/95/16/635139516.db2.gz DLBOAFBHCRZRFQ-CYBMUJFWSA-N 0 3 313.357 2.152 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc(C)nc3C)CC2)CC1 ZINC001000335277 635145724 /nfs/dbraw/zinc/14/57/24/635145724.db2.gz QKRZSIHHTYGDBF-UHFFFAOYSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCSCCNCc1ccccc1O[C@H](C)C(=O)OC ZINC000921767994 635160586 /nfs/dbraw/zinc/16/05/86/635160586.db2.gz BORNDTMMIPTSOX-CYBMUJFWSA-N 0 3 307.415 2.083 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001028009147 635237581 /nfs/dbraw/zinc/23/75/81/635237581.db2.gz JGNDNMYUSKZVHD-CVEARBPZSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ncoc2C(F)(F)F)CC1 ZINC001000863694 635321479 /nfs/dbraw/zinc/32/14/79/635321479.db2.gz UVUYTWFTXJPMMK-UHFFFAOYSA-N 0 3 315.295 2.241 20 30 DEEDHN C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2[n-]nc(C3CC3)c2Cl)C1 ZINC000981198694 635361766 /nfs/dbraw/zinc/36/17/66/635361766.db2.gz JWGPZSTZLRYXIA-RYUDHWBXSA-N 0 3 320.824 2.204 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001028047341 635362010 /nfs/dbraw/zinc/36/20/10/635362010.db2.gz VKORXCSDAZEHEW-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2Cc3ccccc3O2)CC1 ZINC000981231201 635385541 /nfs/dbraw/zinc/38/55/41/635385541.db2.gz CLQQWKIEVIJUBY-KRWDZBQOSA-N 0 3 314.429 2.491 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C)nn(CCC)c2C)CC1 ZINC001001357159 635472826 /nfs/dbraw/zinc/47/28/26/635472826.db2.gz SCUTZGCDUDNORC-UHFFFAOYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC001001495934 635510963 /nfs/dbraw/zinc/51/09/63/635510963.db2.gz AQYMSFPWYAFGMZ-KDOFPFPSSA-N 0 3 312.413 2.485 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001028110222 635570047 /nfs/dbraw/zinc/57/00/47/635570047.db2.gz BGUJKLRWJKJHQO-OAHLLOKOSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2oc(C(C)C)nc2C)CC1 ZINC001001926534 635579082 /nfs/dbraw/zinc/57/90/82/635579082.db2.gz YJSHYHKHVYBBNG-UHFFFAOYSA-N 0 3 303.406 2.181 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnoc2C2CC2)CC1 ZINC001001999874 635599439 /nfs/dbraw/zinc/59/94/39/635599439.db2.gz JOPQTAOVDHXCFT-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3c(C)cccn3c2)CC1 ZINC001002040917 635610461 /nfs/dbraw/zinc/61/04/61/635610461.db2.gz IDWRKPVWGXGSPT-UHFFFAOYSA-N 0 3 309.413 2.323 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)n(C)c2C)CC1 ZINC001002110501 635622992 /nfs/dbraw/zinc/62/29/92/635622992.db2.gz MUQKXJJMAYHBBX-UHFFFAOYSA-N 0 3 301.434 2.107 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C(F)F)n(C)n3)C2)C1 ZINC000981891234 635713469 /nfs/dbraw/zinc/71/34/69/635713469.db2.gz GLCVZSBBXLIKSU-UHFFFAOYSA-N 0 3 324.375 2.082 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001028151529 635725252 /nfs/dbraw/zinc/72/52/52/635725252.db2.gz FACONKBYIACJEU-GFCCVEGCSA-N 0 3 322.355 2.191 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2c(CC)ncnc2CC)CC1 ZINC000981977672 635782932 /nfs/dbraw/zinc/78/29/32/635782932.db2.gz LOLYOIDNLSUJML-UHFFFAOYSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001028184584 635787240 /nfs/dbraw/zinc/78/72/40/635787240.db2.gz MOBVVVCPVHWJCH-OAHLLOKOSA-N 0 3 300.406 2.124 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@@H](C)C1CCC1)CCO2 ZINC000949124182 635791271 /nfs/dbraw/zinc/79/12/71/635791271.db2.gz SDJGRVJRKRPYCX-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2nn(C)c3c2CCCC3)CC1 ZINC000982004033 635806353 /nfs/dbraw/zinc/80/63/53/635806353.db2.gz OFECQOJHKGWZJB-UHFFFAOYSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001028205339 635822750 /nfs/dbraw/zinc/82/27/50/635822750.db2.gz JBZYTOYOCRJBNJ-PBHICJAKSA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)C1 ZINC000982030912 635828386 /nfs/dbraw/zinc/82/83/86/635828386.db2.gz LRWLJDHUWSUUFQ-HUUCEWRRSA-N 0 3 300.402 2.494 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028209521 635828507 /nfs/dbraw/zinc/82/85/07/635828507.db2.gz HNKMJXOBJBGVIF-QGZVFWFLSA-N 0 3 307.397 2.452 20 30 DEEDHN C=C(Cl)CN1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001002956694 635860314 /nfs/dbraw/zinc/86/03/14/635860314.db2.gz ZVEDIFBWUBYRPL-HNNXBMFYSA-N 0 3 313.873 2.194 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(CC)on3)C2)C1 ZINC000982120261 635877907 /nfs/dbraw/zinc/87/79/07/635877907.db2.gz QLGASMDAWFGINC-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C#CCN(C(=O)NCc1cccc2cc[nH]c21)C1CCN(C)CC1 ZINC000922133532 635885375 /nfs/dbraw/zinc/88/53/75/635885375.db2.gz BDLVZLJUVIXIIQ-UHFFFAOYSA-N 0 3 324.428 2.407 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4nccnc4c3)C2)C1 ZINC000982141172 635886451 /nfs/dbraw/zinc/88/64/51/635886451.db2.gz QUFYBIVNXZJJFA-UHFFFAOYSA-N 0 3 322.412 2.354 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3n[nH]c4ccccc43)C2)C1 ZINC000982136717 635888678 /nfs/dbraw/zinc/88/86/78/635888678.db2.gz VZDNVIJWBWNNOA-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[C@@H]3OC)C2)C1 ZINC000982169118 635895163 /nfs/dbraw/zinc/89/51/63/635895163.db2.gz OZANEVKAWPCUOS-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc(CC)s3)C2)C1 ZINC000982169195 635895278 /nfs/dbraw/zinc/89/52/78/635895278.db2.gz TURLXHBVVZHOQU-UHFFFAOYSA-N 0 3 305.447 2.430 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)/C=C/c3ccco3)C[C@]2(C)C1 ZINC000982193485 635899965 /nfs/dbraw/zinc/89/99/65/635899965.db2.gz MJIKFOJXHRKNQN-DVMSICGOSA-N 0 3 312.413 2.487 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001028227849 635924344 /nfs/dbraw/zinc/92/43/44/635924344.db2.gz DGCGJLSWYNAJBS-INIZCTEOSA-N 0 3 304.438 2.309 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)n3cccc3)C[C@]2(C)C1 ZINC000982258410 635927141 /nfs/dbraw/zinc/92/71/41/635927141.db2.gz DMEOPNGQKKBJOW-QRQLOZEOSA-N 0 3 313.445 2.243 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC3(F)F)C[C@]2(C)C1 ZINC000982305307 635959108 /nfs/dbraw/zinc/95/91/08/635959108.db2.gz QVHJHPLGVBRHOH-BMFZPTHFSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001028252150 635960919 /nfs/dbraw/zinc/96/09/19/635960919.db2.gz RPRCDKLUGPWDMS-AWEZNQCLSA-N 0 3 302.422 2.059 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1 ZINC000922418323 636167966 /nfs/dbraw/zinc/16/79/66/636167966.db2.gz YUKLSEZKUDCQRN-CJNGLKHVSA-N 0 3 303.406 2.143 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)c[nH]1 ZINC001028491800 636255975 /nfs/dbraw/zinc/25/59/75/636255975.db2.gz MDTIWBDCKGGIEK-LBPRGKRZSA-N 0 3 314.414 2.200 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001028545892 636334050 /nfs/dbraw/zinc/33/40/50/636334050.db2.gz UQSDPLZOUFUDJM-HNNXBMFYSA-N 0 3 313.445 2.454 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3csc(C)c3)C[C@]2(C)C1 ZINC000982652172 636355554 /nfs/dbraw/zinc/35/55/54/636355554.db2.gz RZZBWSPTCWDEAQ-CALCHBBNSA-N 0 3 302.443 2.474 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ncccc3OC)C[C@]2(C)C1 ZINC000982756742 636387800 /nfs/dbraw/zinc/38/78/00/636387800.db2.gz IIKBIUTTXFJQEG-HDICACEKSA-N 0 3 315.417 2.060 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN(Cc2ccccn2)C1 ZINC001028593890 636459282 /nfs/dbraw/zinc/45/92/82/636459282.db2.gz WNQWTMRDXBJVII-MRXNPFEDSA-N 0 3 324.428 2.321 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2csc(C3CC3)n2)C[C@@H]1C ZINC000947783144 636464479 /nfs/dbraw/zinc/46/44/79/636464479.db2.gz MNNBVBAOAJZMHD-GXTWGEPZSA-N 0 3 317.458 2.165 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C[C@@H]1C ZINC000947783154 636465241 /nfs/dbraw/zinc/46/52/41/636465241.db2.gz MPDZPBWSIAAYHI-SWLSCSKDSA-N 0 3 300.406 2.123 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001028617268 636505084 /nfs/dbraw/zinc/50/50/84/636505084.db2.gz CBZITJGYCOIGCG-CQSZACIVSA-N 0 3 309.369 2.027 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001028651109 636553233 /nfs/dbraw/zinc/55/32/33/636553233.db2.gz ANIWSXZXDUSMTE-OAHLLOKOSA-N 0 3 323.396 2.417 20 30 DEEDHN C[C@@H](NCc1cncs1)[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004860638 636597545 /nfs/dbraw/zinc/59/75/45/636597545.db2.gz HNKQOOUELCIPPW-CZUORRHYSA-N 0 3 317.458 2.416 20 30 DEEDHN Cn1cccc1C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC000983189928 636661579 /nfs/dbraw/zinc/66/15/79/636661579.db2.gz GZVWXCLZMDHKSB-CZIWCDLHSA-N 0 3 322.412 2.195 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001028719247 636663557 /nfs/dbraw/zinc/66/35/57/636663557.db2.gz SYTFKRUTZWBFII-VIFPVBQESA-N 0 3 300.189 2.006 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccn(C(F)F)n2)CC1 ZINC001005453721 636744644 /nfs/dbraw/zinc/74/46/44/636744644.db2.gz PMWOHQGUFGOLGV-UHFFFAOYSA-N 0 3 312.364 2.391 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001028807737 636750753 /nfs/dbraw/zinc/75/07/53/636750753.db2.gz RJASXJZFWUYDKT-OAHLLOKOSA-N 0 3 313.445 2.452 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001028810599 636751974 /nfs/dbraw/zinc/75/19/74/636751974.db2.gz ICGKOSDAJPGOHH-OAHLLOKOSA-N 0 3 311.429 2.342 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(OC)nc2)CC1 ZINC001005686505 636817513 /nfs/dbraw/zinc/81/75/13/636817513.db2.gz VDWDUZIDMFWPCH-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(F)F)n(C)n2)CC1 ZINC001005710085 636825804 /nfs/dbraw/zinc/82/58/04/636825804.db2.gz CYEZKQQQTLCHMK-UHFFFAOYSA-N 0 3 312.364 2.080 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001028898421 636827680 /nfs/dbraw/zinc/82/76/80/636827680.db2.gz JDBIAPMVADPZTP-AWEZNQCLSA-N 0 3 309.369 2.027 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1C[C@H]1C1CCC1)C1CCN(C)CC1 ZINC000922951992 636875424 /nfs/dbraw/zinc/87/54/24/636875424.db2.gz DYCUUQXKCIOZRM-RDJZCZTQSA-N 0 3 303.450 2.162 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2occ3c2CCCC3)C1 ZINC001028953799 636890626 /nfs/dbraw/zinc/89/06/26/636890626.db2.gz MLWJOQKJRGOSTM-AWEZNQCLSA-N 0 3 300.402 2.233 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001028961015 636898201 /nfs/dbraw/zinc/89/82/01/636898201.db2.gz 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/nfs/dbraw/zinc/19/05/41/637190541.db2.gz KEHOJEQLXLUGJG-JLVBRIDZSA-N 0 3 303.450 2.162 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCCO[C@H]1CCCCO1 ZINC000894792927 637216441 /nfs/dbraw/zinc/21/64/41/637216441.db2.gz GEPIASOJHFHROX-KRWDZBQOSA-N 0 3 303.406 2.257 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)n(C)nc2Cl)C[C@H]1C ZINC000947980119 637236316 /nfs/dbraw/zinc/23/63/16/637236316.db2.gz NYKWGHQZUJZWGC-PWSUYJOCSA-N 0 3 310.829 2.151 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cn(C)nc2C(C)(C)C)CC1 ZINC001006149720 637245859 /nfs/dbraw/zinc/24/58/59/637245859.db2.gz CFRPBNPTUDDQDV-UHFFFAOYSA-N 0 3 318.465 2.440 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(OC)cc2F)CC1 ZINC001006231958 637289293 /nfs/dbraw/zinc/28/92/93/637289293.db2.gz GCZWZDZRSIDFQC-UHFFFAOYSA-N 0 3 320.408 2.486 20 30 DEEDHN C=CCOc1c(Cl)cc(CNC[C@H]2COCO2)cc1OC ZINC000894886153 637295181 /nfs/dbraw/zinc/29/51/81/637295181.db2.gz CGDDQLSTUJQFDF-LBPRGKRZSA-N 0 3 313.781 2.376 20 30 DEEDHN CC#CC[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000895095800 637551369 /nfs/dbraw/zinc/55/13/69/637551369.db2.gz KXOPEOCMQRUVIN-CYBMUJFWSA-N 0 3 312.207 2.327 20 30 DEEDHN CN1C(=O)CC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000838796956 637652430 /nfs/dbraw/zinc/65/24/30/637652430.db2.gz KOGWQCDFQSFRQL-MWLCHTKSSA-N 0 3 317.345 2.232 20 30 DEEDHN Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895161882 637695002 /nfs/dbraw/zinc/69/50/02/637695002.db2.gz VCVPZFMQZAWNDW-RBSFLKMASA-N 0 3 303.406 2.386 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCc1cn(C)cn1 ZINC000839148847 637790040 /nfs/dbraw/zinc/79/00/40/637790040.db2.gz NAGIRUJPYVNZSO-UHFFFAOYSA-N 0 3 303.793 2.418 20 30 DEEDHN CC1=NO[C@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000895306125 637907608 /nfs/dbraw/zinc/90/76/08/637907608.db2.gz ADQFVCQIUWMREC-INIZCTEOSA-N 0 3 309.373 2.213 20 30 DEEDHN C#CC1(O)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000895385082 637990612 /nfs/dbraw/zinc/99/06/12/637990612.db2.gz YRIFIWLHOFPNSK-KAMYIIQDSA-N 0 3 300.358 2.458 20 30 DEEDHN C#CC1(O)CCN(Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000895385838 637991835 /nfs/dbraw/zinc/99/18/35/637991835.db2.gz MGGSAAPKQDYMPQ-OAHLLOKOSA-N 0 3 303.402 2.060 20 30 DEEDHN C#C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1ccc(F)cc1 ZINC000895682546 638149588 /nfs/dbraw/zinc/14/95/88/638149588.db2.gz KBLRPGCUDFNLIV-ULQDDVLXSA-N 0 3 315.392 2.378 20 30 DEEDHN C#CCOc1ccc(CN2CCSC[C@H](C(=O)OC)C2)cc1 ZINC000840975764 650398627 /nfs/dbraw/zinc/39/86/27/650398627.db2.gz ABIZOZZKIDZRSV-OAHLLOKOSA-N 0 3 319.426 2.037 20 30 DEEDHN N#Cc1cnn2cc(CNC[C@H]3CCC4(CCC4)CO3)cnc12 ZINC000895809710 638201535 /nfs/dbraw/zinc/20/15/35/638201535.db2.gz QFPWJCJTSATQGL-OAHLLOKOSA-N 0 3 311.389 2.040 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(C)noc2C(F)(F)F)CC1 ZINC000746229709 638324590 /nfs/dbraw/zinc/32/45/90/638324590.db2.gz SDTDLZKKJDJTAC-UHFFFAOYSA-N 0 3 317.311 2.382 20 30 DEEDHN C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000747839073 638482925 /nfs/dbraw/zinc/48/29/25/638482925.db2.gz RZMXTJMYGVNTIT-SZMVWBNQSA-N 0 3 314.429 2.224 20 30 DEEDHN COc1ccc(CN[C@]23CCC[C@@]2(OC)OCC3)cc1C#N ZINC000896413198 638510309 /nfs/dbraw/zinc/51/03/09/638510309.db2.gz LCEOSKONWKQOGC-DLBZAZTESA-N 0 3 302.374 2.342 20 30 DEEDHN CCN(CC)c1ccc(/C=N\[C@H]2CCCN(C)C2=O)c(O)c1 ZINC000748286111 638538199 /nfs/dbraw/zinc/53/81/99/638538199.db2.gz QESRIHYSTQACPA-BRYHAGSVSA-N 0 3 303.406 2.278 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896517078 638560741 /nfs/dbraw/zinc/56/07/41/638560741.db2.gz WFDYWSKRSBAENR-HNNXBMFYSA-N 0 3 316.361 2.132 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC ZINC001029507991 639010519 /nfs/dbraw/zinc/01/05/19/639010519.db2.gz LCQABVMRTTZFOK-YVSFHVDLSA-N 0 3 306.450 2.443 20 30 DEEDHN CCC(=O)N1CCC(N(C)Cc2cc(C#N)ccc2OC)CC1 ZINC000985189374 639134005 /nfs/dbraw/zinc/13/40/05/639134005.db2.gz NJZFYWYOSGXSKR-UHFFFAOYSA-N 0 3 315.417 2.400 20 30 DEEDHN C#CC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000754085879 639384207 /nfs/dbraw/zinc/38/42/07/639384207.db2.gz CAYZHVHUMXMZHG-MRXNPFEDSA-N 0 3 308.385 2.210 20 30 DEEDHN O=C(NCCNCc1ccc(F)c(Cl)c1)C1N=CC=CC1=O ZINC000179089698 639440540 /nfs/dbraw/zinc/44/05/40/639440540.db2.gz MMFPCUKBNPVMDP-PFONDFGASA-N 0 3 323.755 2.095 20 30 DEEDHN CC(=O)CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000755851094 639596186 /nfs/dbraw/zinc/59/61/86/639596186.db2.gz GULLHKJIMZIDIJ-LBPRGKRZSA-N 0 3 322.311 2.049 20 30 DEEDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000756049038 639619532 /nfs/dbraw/zinc/61/95/32/639619532.db2.gz CMDUYTGPFPJVPU-BBRMVZONSA-N 0 3 303.406 2.228 20 30 DEEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000756233502 639638949 /nfs/dbraw/zinc/63/89/49/639638949.db2.gz LSLYFYMFOMPQHB-SMDDNHRTSA-N 0 3 304.346 2.015 20 30 DEEDHN C[C@@H]1[C@H](NCc2ccc(C#N)c(F)c2)CCN1C(=O)C1CC1 ZINC000985855241 639666092 /nfs/dbraw/zinc/66/60/92/639666092.db2.gz FIXYDBDMNQXKFX-BDJLRTHQSA-N 0 3 301.365 2.186 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1ccc(OCC)cc1)[C@@H]1CCCO1 ZINC000839562836 639764738 /nfs/dbraw/zinc/76/47/38/639764738.db2.gz DGEOELDJJXBSKL-IRXDYDNUSA-N 0 3 316.401 2.184 20 30 DEEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1sccc1C(N)=O ZINC000839585415 639770553 /nfs/dbraw/zinc/77/05/53/639770553.db2.gz HMGCWVRFTSTXHC-NSHDSACASA-N 0 3 307.419 2.216 20 30 DEEDHN COc1ccc(CNCCNc2ccc(C#N)cn2)c(F)c1 ZINC000897396785 639953053 /nfs/dbraw/zinc/95/30/53/639953053.db2.gz RFRLBLONKPQKHR-UHFFFAOYSA-N 0 3 300.337 2.303 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@@H](NCCF)[C@@H]2C)cc1 ZINC000987587981 640229563 /nfs/dbraw/zinc/22/95/63/640229563.db2.gz DLCVUMOTDBDMNC-WMLDXEAASA-N 0 3 320.408 2.342 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C2(C)OCCO2)CC1 ZINC000760900776 640240707 /nfs/dbraw/zinc/24/07/07/640240707.db2.gz XVGFFSVUZGAOMN-OAHLLOKOSA-N 0 3 324.465 2.275 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)CN1C(=O)C(F)F ZINC000987695407 640259629 /nfs/dbraw/zinc/25/96/29/640259629.db2.gz NWCKFYOZHZSXPF-CABZTGNLSA-N 0 3 311.307 2.041 20 30 DEEDHN CCO[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000761063810 640260802 /nfs/dbraw/zinc/26/08/02/640260802.db2.gz BQALMXJPZJCIFJ-GXTWGEPZSA-N 0 3 303.362 2.180 20 30 DEEDHN C=CCN1CC(=O)N([C@H]2CCN([C@@H](C)c3ccccc3)C2)C1=O ZINC000761150073 640278687 /nfs/dbraw/zinc/27/86/87/640278687.db2.gz JAZFRQYSUGVSAT-HOCLYGCPSA-N 0 3 313.401 2.272 20 30 DEEDHN C[C@@H]1CC(N=Nc2ncnc3c2cnn3-c2ccccc2)CN1C ZINC000761805601 640347687 /nfs/dbraw/zinc/34/76/87/640347687.db2.gz HHIGRUYADPKZLE-GFCCVEGCSA-N 0 3 321.388 2.307 20 30 DEEDHN CC(C)C(=O)N1C[C@H](NCc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000988133101 640351655 /nfs/dbraw/zinc/35/16/55/640351655.db2.gz KNVQUYVGWNSGJK-SWLSCSKDSA-N 0 3 303.381 2.432 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccnn2C(CC)CC)C1 ZINC000988956379 640696691 /nfs/dbraw/zinc/69/66/91/640696691.db2.gz VXVUFIJCRVDUSI-UONOGXRCSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000989089336 640721169 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C=C(C)CN1CCCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000989743408 641217471 /nfs/dbraw/zinc/21/74/71/641217471.db2.gz PKMHFDMIPOUYMQ-SFHVURJKSA-N 0 3 315.461 2.400 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC000989799869 641237852 /nfs/dbraw/zinc/23/78/52/641237852.db2.gz CPLKCHYPCYMVOR-UHFFFAOYSA-N 0 3 304.438 2.097 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2nsc3ccccc23)C1 ZINC000989819983 641242529 /nfs/dbraw/zinc/24/25/29/641242529.db2.gz QMJJLRUSLMNTGN-QWHCGFSZSA-N 0 3 313.426 2.051 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2nsc3ccccc23)C1 ZINC000989819981 641242635 /nfs/dbraw/zinc/24/26/35/641242635.db2.gz QMJJLRUSLMNTGN-CHWSQXEVSA-N 0 3 313.426 2.051 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(OCC=C)cc2)C1 ZINC000989838778 641247774 /nfs/dbraw/zinc/24/77/74/641247774.db2.gz OYKMYTQANOEQKA-NVXWUHKLSA-N 0 3 312.413 2.006 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC000989850908 641255142 /nfs/dbraw/zinc/25/51/42/641255142.db2.gz 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/nfs/dbraw/zinc/69/58/35/650695835.db2.gz UAEUZIGJBVBMIZ-CJNGLKHVSA-N 0 3 316.401 2.497 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCO[C@H]3C=C)CCC[C@@H]12 ZINC000990739552 641841525 /nfs/dbraw/zinc/84/15/25/641841525.db2.gz IZSHSSNWGYABGF-KYHPRHEASA-N 0 3 304.434 2.267 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000842343764 650714109 /nfs/dbraw/zinc/71/41/09/650714109.db2.gz SVMQLCMIRRZSFF-CABCVRRESA-N 0 3 302.374 2.135 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(OC)c1)[C@@H]1CCCO1 ZINC000775571416 642060012 /nfs/dbraw/zinc/06/00/12/642060012.db2.gz GXOYCZKEENWBNZ-COXVUDFISA-N 0 3 316.401 2.183 20 30 DEEDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H](C)C#N ZINC000775655713 642074001 /nfs/dbraw/zinc/07/40/01/642074001.db2.gz KBLGBGDDUBTNSO-MRXNPFEDSA-N 0 3 300.450 2.420 20 30 DEEDHN C#C[C@H](NC[C@@H](O)COc1ccccc1C(C)C)[C@H]1CCCO1 ZINC000775786577 642094616 /nfs/dbraw/zinc/09/46/16/642094616.db2.gz YGBFOURGBYEHQE-HHXXYDBFSA-N 0 3 317.429 2.320 20 30 DEEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000776493906 642178014 /nfs/dbraw/zinc/17/80/14/642178014.db2.gz NIFCDJRTSFECCL-SJORKVTESA-N 0 3 300.402 2.024 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H](F)Cc1ccccc1 ZINC000778293701 642367716 /nfs/dbraw/zinc/36/77/16/642367716.db2.gz GZPSULFAZFMWTE-ZIAGYGMSSA-N 0 3 311.316 2.310 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@@H](C#N)C2)cc1 ZINC000900639949 642431783 /nfs/dbraw/zinc/43/17/83/642431783.db2.gz PQOAODJWLNHCHX-YOEHRIQHSA-N 0 3 315.417 2.496 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](CN(C)C)C(C)C)cc1 ZINC000900693604 642446110 /nfs/dbraw/zinc/44/61/10/642446110.db2.gz YAFGUJZIMUFTQK-OFAQMXQXSA-N 0 3 302.418 2.436 20 30 DEEDHN N#CCc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000779457131 642502902 /nfs/dbraw/zinc/50/29/02/642502902.db2.gz YYQSBMYMIOCGEG-KRWDZBQOSA-N 0 3 323.396 2.453 20 30 DEEDHN C[C@H](C=NNC1=N[C@@H](C)CN1)c1cccc(Br)c1 ZINC000779794686 642539222 /nfs/dbraw/zinc/53/92/22/642539222.db2.gz LEANOUMQCWVMMW-ZJUUUORDSA-N 0 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/nfs/dbraw/zinc/04/22/99/643042299.db2.gz GJCANCXTYOPKIJ-CYBMUJFWSA-N 0 3 315.373 2.052 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000902776276 643140363 /nfs/dbraw/zinc/14/03/63/643140363.db2.gz NWAWWDVQYKCQFQ-HNNXBMFYSA-N 0 3 323.462 2.317 20 30 DEEDHN C#CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000902985893 643211416 /nfs/dbraw/zinc/21/14/16/643211416.db2.gz ODFZODMWVNHIHN-UHFFFAOYSA-N 0 3 316.361 2.156 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCCO1)C(=O)NCc1cccc(Cl)c1 ZINC000786534156 643381294 /nfs/dbraw/zinc/38/12/94/643381294.db2.gz ITGKIDJBGGZPQM-UONOGXRCSA-N 0 3 320.776 2.234 20 30 DEEDHN CCOCCCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786558809 643384589 /nfs/dbraw/zinc/38/45/89/643384589.db2.gz RUBBOZCSBRRZFE-CYBMUJFWSA-N 0 3 324.327 2.107 20 30 DEEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568026 643385995 /nfs/dbraw/zinc/38/59/95/643385995.db2.gz DTLZRCQDVABSLC-WPRPVWTQSA-N 0 3 312.341 2.041 20 30 DEEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000787056789 643444987 /nfs/dbraw/zinc/44/49/87/643444987.db2.gz RKBXOJIFNUIBPO-CQSZACIVSA-N 0 3 315.329 2.276 20 30 DEEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000787065478 643446848 /nfs/dbraw/zinc/44/68/48/643446848.db2.gz RGOPKRAQRNCKDG-FZMZJTMJSA-N 0 3 317.345 2.356 20 30 DEEDHN COCCN(Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CCOC1 ZINC000787335991 643484234 /nfs/dbraw/zinc/48/42/34/643484234.db2.gz XLYTZOBUQVECCX-GOSISDBHSA-N 0 3 317.433 2.274 20 30 DEEDHN C[C@@H](Cc1cncc2ccccc21)C(=O)C(C#N)C(=O)NC1CC1 ZINC000805856181 643553398 /nfs/dbraw/zinc/55/33/98/643553398.db2.gz SIDZDOXEZKHEHC-SJCJKPOMSA-N 0 3 321.380 2.401 20 30 DEEDHN C=CCN1CCC(NC(=O)N(O)Cc2ccc(F)cc2)CC1 ZINC000904169149 643593980 /nfs/dbraw/zinc/59/39/80/643593980.db2.gz UZMDMLXVPCVDDG-UHFFFAOYSA-N 0 3 307.369 2.377 20 30 DEEDHN COc1ccc(O)c(/C=N/[C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000905002233 643760263 /nfs/dbraw/zinc/76/02/63/643760263.db2.gz 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/nfs/dbraw/zinc/03/65/99/644036599.db2.gz NVMIIRKSKALXNB-RHSMWYFYSA-N 0 3 317.433 2.314 20 30 DEEDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000905862894 644063033 /nfs/dbraw/zinc/06/30/33/644063033.db2.gz BCIFGVVFHWAZMS-HEHGZKQESA-N 0 3 319.380 2.085 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N(C)C2CCN(CCC)CC2)cc1 ZINC000906868348 644378444 /nfs/dbraw/zinc/37/84/44/644378444.db2.gz QWEAUSMPCXHKLB-UHFFFAOYSA-N 0 3 320.458 2.163 20 30 DEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000794575354 644439007 /nfs/dbraw/zinc/43/90/07/644439007.db2.gz ANYLBMGNVKARFX-KBPBESRZSA-N 0 3 321.808 2.247 20 30 DEEDHN C#CC[C@H](Cc1ccccc1)NC(=S)NC1CCN(C)CC1 ZINC000795131841 644525517 /nfs/dbraw/zinc/52/55/17/644525517.db2.gz NUISTLYCZSTFQL-QGZVFWFLSA-N 0 3 315.486 2.179 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000843414812 650969509 /nfs/dbraw/zinc/96/95/09/650969509.db2.gz NOFFJZZANWGKFT-INIZCTEOSA-N 0 3 308.385 2.175 20 30 DEEDHN Cc1ccc([C@@H](O)[C@@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000843409119 650968583 /nfs/dbraw/zinc/96/85/83/650968583.db2.gz PFMQHLOSPYGUBL-DYVFJYSZSA-N 0 3 321.384 2.121 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCN(CC)C[C@@H]2C)cc1 ZINC000910283642 645387819 /nfs/dbraw/zinc/38/78/19/645387819.db2.gz MZJMOWASJPZUCX-HNNXBMFYSA-N 0 3 300.402 2.255 20 30 DEEDHN CCN1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)[C@H](C)C1 ZINC000910294201 645407327 /nfs/dbraw/zinc/40/73/27/645407327.db2.gz DWQVYLABDUPIAF-HUUCEWRRSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@@H](C#N)OCCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000801911018 645460518 /nfs/dbraw/zinc/46/05/18/645460518.db2.gz RYYCHJRZBWIYAJ-HNNXBMFYSA-N 0 3 305.397 2.262 20 30 DEEDHN COc1ccc(OC2CCN(CCO[C@@H](C)C#N)CC2)cc1 ZINC000801913366 645460637 /nfs/dbraw/zinc/46/06/37/645460637.db2.gz UIKBMVJTULJASC-AWEZNQCLSA-N 0 3 304.390 2.467 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000801938582 645466571 /nfs/dbraw/zinc/46/65/71/645466571.db2.gz IKUMVZQMYXAEPO-MFKMUULPSA-N 0 3 313.195 2.001 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000801947129 645467228 /nfs/dbraw/zinc/46/72/28/645467228.db2.gz RMMXBQOKZWUBSA-ZDUSSCGKSA-N 0 3 311.426 2.294 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000801952247 645469459 /nfs/dbraw/zinc/46/94/59/645469459.db2.gz QKAQGXVNPJZGRJ-CQSZACIVSA-N 0 3 302.422 2.327 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1sccc1C ZINC000129377695 645885113 /nfs/dbraw/zinc/88/51/13/645885113.db2.gz DYOSFONQSJLTLO-CYBMUJFWSA-N 0 3 322.430 2.241 20 30 DEEDHN C=C[C@@H](CC(=O)N(CCO)C1CCN(C)CC1)c1ccccc1 ZINC000911941190 645888664 /nfs/dbraw/zinc/88/86/64/645888664.db2.gz HMVSDWFFGZMMGD-INIZCTEOSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000912041511 645925269 /nfs/dbraw/zinc/92/52/69/645925269.db2.gz VCMFGQDFSSFIRG-CQSZACIVSA-N 0 3 301.390 2.201 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000912125352 645952635 /nfs/dbraw/zinc/95/26/35/645952635.db2.gz YMKIBGWOGSAUKS-LLVKDONJSA-N 0 3 305.403 2.353 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1Cn1cccn1 ZINC000912161479 645967498 /nfs/dbraw/zinc/96/74/98/645967498.db2.gz FRQRVOBKPNXBFF-KRWDZBQOSA-N 0 3 312.417 2.231 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1Cn1cccn1 ZINC000912161481 645968010 /nfs/dbraw/zinc/96/80/10/645968010.db2.gz FRQRVOBKPNXBFF-QGZVFWFLSA-N 0 3 312.417 2.231 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)nc1 ZINC000807738591 645981514 /nfs/dbraw/zinc/98/15/14/645981514.db2.gz GCHHUSWRNOBPSX-QAPCUYQASA-N 0 3 319.408 2.456 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cn1 ZINC000807740991 645981823 /nfs/dbraw/zinc/98/18/23/645981823.db2.gz XRSFZYUNUWCEHR-KXBFYZLASA-N 0 3 319.408 2.456 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000912400655 646056635 /nfs/dbraw/zinc/05/66/35/646056635.db2.gz AYKGNSXTTNCHRX-MRXNPFEDSA-N 0 3 315.417 2.431 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000912400653 646056985 /nfs/dbraw/zinc/05/69/85/646056985.db2.gz AYKGNSXTTNCHRX-INIZCTEOSA-N 0 3 315.417 2.431 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810530299 646372093 /nfs/dbraw/zinc/37/20/93/646372093.db2.gz AEIDZSFXKZQMIT-NEPJUHHUSA-N 0 3 318.398 2.486 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810530302 646372319 /nfs/dbraw/zinc/37/23/19/646372319.db2.gz AEIDZSFXKZQMIT-VXGBXAGGSA-N 0 3 318.398 2.486 20 30 DEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000810572603 646378491 /nfs/dbraw/zinc/37/84/91/646378491.db2.gz HPXREZOJIVZHLS-INIZCTEOSA-N 0 3 304.369 2.299 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000156509493 646427598 /nfs/dbraw/zinc/42/75/98/646427598.db2.gz MOOCWGVCPCIOBD-MFKMUULPSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C[C@H]1C ZINC000947739732 646512779 /nfs/dbraw/zinc/51/27/79/646512779.db2.gz BXEDJXBCANRLFA-UKRRQHHQSA-N 0 3 318.392 2.440 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2csc3cncn32)C[C@@H]1C ZINC000947761321 646568118 /nfs/dbraw/zinc/56/81/18/646568118.db2.gz JBMOYYNLVJZADY-QWHCGFSZSA-N 0 3 316.430 2.002 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2csc3cncn32)C[C@@H]1C ZINC000947761322 646568372 /nfs/dbraw/zinc/56/83/72/646568372.db2.gz JBMOYYNLVJZADY-STQMWFEESA-N 0 3 316.430 2.002 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3oc2=O)C[C@@H]1C ZINC000947988722 646630133 /nfs/dbraw/zinc/63/01/33/646630133.db2.gz CTDHNLANHKSXSL-DZGCQCFKSA-N 0 3 324.380 2.009 20 30 DEEDHN CC(C)(C)c1nc(CC(=O)C(C#N)C(=O)N2CCCC2)cs1 ZINC000170672276 646657655 /nfs/dbraw/zinc/65/76/55/646657655.db2.gz MZSHMSKHJGFFAT-LBPRGKRZSA-N 0 3 319.430 2.314 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000948800375 646660320 /nfs/dbraw/zinc/66/03/20/646660320.db2.gz NPIPLPGFRRVJCD-ARFHVFGLSA-N 0 3 300.402 2.329 20 30 DEEDHN COC(=O)CSCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171698872 646710409 /nfs/dbraw/zinc/71/04/09/646710409.db2.gz UNMPTQAOWMPJDY-JTQLQIEISA-N 0 3 318.354 2.300 20 30 DEEDHN COC(=O)NCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171698958 646710437 /nfs/dbraw/zinc/71/04/37/646710437.db2.gz YZQRYMBCZYMYTL-JTQLQIEISA-N 0 3 301.302 2.140 20 30 DEEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000173332766 646765390 /nfs/dbraw/zinc/76/53/90/646765390.db2.gz MXGMLXYJQBFVEP-UHFFFAOYSA-N 0 3 301.434 2.482 20 30 DEEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000173978094 646786513 /nfs/dbraw/zinc/78/65/13/646786513.db2.gz RNMNDUNRJHKNKG-CYBMUJFWSA-N 0 3 316.357 2.325 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173990456 646786888 /nfs/dbraw/zinc/78/68/88/646786888.db2.gz SSAMOMDBJQBYQA-NKWVEPMBSA-N 0 3 315.192 2.069 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)Cc3ncccc3F)CCC[C@@H]12 ZINC000992121846 646859889 /nfs/dbraw/zinc/85/98/89/646859889.db2.gz FVHJPMRYXJUTGF-NVXWUHKLSA-N 0 3 303.381 2.062 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc4n[nH]cc4c3)CCC[C@H]12 ZINC000992144142 646871695 /nfs/dbraw/zinc/87/16/95/646871695.db2.gz GPBLGVIXBDFIOF-PKOBYXMFSA-N 0 3 322.412 2.313 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3nn(C)c(C)c3Cl)CCC[C@H]12 ZINC000992257068 646916446 /nfs/dbraw/zinc/91/64/46/646916446.db2.gz GLRRDSHWVHZMRI-LRDDRELGSA-N 0 3 322.840 2.295 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccn(C(C)C)n3)CCC[C@H]12 ZINC000992295802 646934152 /nfs/dbraw/zinc/93/41/52/646934152.db2.gz HMDZPACPUSJIJP-RDJZCZTQSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnn(C(F)F)c3)CCC[C@@H]12 ZINC000992359524 646958281 /nfs/dbraw/zinc/95/82/81/646958281.db2.gz FOWTZOBRKHGQIM-IUODEOHRSA-N 0 3 310.348 2.191 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc4nccn4c3)CCC[C@H]12 ZINC000992411260 646977376 /nfs/dbraw/zinc/97/73/76/646977376.db2.gz WSBRILJOPPRHCM-QFBILLFUSA-N 0 3 322.412 2.084 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC4(C3)CCOCC4)CCC[C@H]12 ZINC000992432295 646998403 /nfs/dbraw/zinc/99/84/03/646998403.db2.gz PZSXDIIVSQNILO-LPHOPBHVSA-N 0 3 318.461 2.492 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3csc(C)n3)CCC[C@@H]12 ZINC000992455690 647025835 /nfs/dbraw/zinc/02/58/35/647025835.db2.gz PZWYMWBAUHRUPT-NVXWUHKLSA-N 0 3 317.458 2.131 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccc(OC)c3)CCC[C@H]12 ZINC000992467342 647039871 /nfs/dbraw/zinc/03/98/71/647039871.db2.gz WEUHIJFUEJZHIN-PKOBYXMFSA-N 0 3 312.413 2.445 20 30 DEEDHN C#CCC1(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCC1 ZINC000913888311 647083112 /nfs/dbraw/zinc/08/31/12/647083112.db2.gz ABWDNZMTUYNYAW-QGZVFWFLSA-N 0 3 313.445 2.405 20 30 DEEDHN C=CCC(F)(F)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000816089070 647090234 /nfs/dbraw/zinc/09/02/34/647090234.db2.gz GZHXALKZFJCVAT-NWDGAFQWSA-N 0 3 304.406 2.236 20 30 DEEDHN CN1C[C@H]2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000816951830 647204909 /nfs/dbraw/zinc/20/49/09/647204909.db2.gz WYAQYDZEZCIISE-UKRRQHHQSA-N 0 3 322.330 2.219 20 30 DEEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000816953794 647205790 /nfs/dbraw/zinc/20/57/90/647205790.db2.gz NSVXSYIEKUDCRO-HIFRSBDPSA-N 0 3 324.384 2.027 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCC1(CC(N)=O)CC1 ZINC000817410878 647288098 /nfs/dbraw/zinc/28/80/98/647288098.db2.gz JFAZKZULFKNMLI-UHFFFAOYSA-N 0 3 306.793 2.097 20 30 DEEDHN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000818088673 647418032 /nfs/dbraw/zinc/41/80/32/647418032.db2.gz KKKNBZLCFXXRPF-CQSZACIVSA-N 0 3 316.405 2.128 20 30 DEEDHN COc1cc(C=NNC(=N)N)ccc1OCc1ccc(F)cc1 ZINC000915050725 647470815 /nfs/dbraw/zinc/47/08/15/647470815.db2.gz HZRWPOMNHPADJU-UHFFFAOYSA-N 0 3 316.336 2.230 20 30 DEEDHN C#CCN(C)CCCNC(=O)CSc1ccc2c(c1)CCC2 ZINC000818588986 647482981 /nfs/dbraw/zinc/48/29/81/647482981.db2.gz LVEVQPOAGIIXKZ-UHFFFAOYSA-N 0 3 316.470 2.339 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@H]1C ZINC000993324479 647604861 /nfs/dbraw/zinc/60/48/61/647604861.db2.gz GYGDTPUQFYFQEH-CABCVRRESA-N 0 3 316.449 2.214 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnn2C(F)F)[C@H]1C ZINC000993372180 647635172 /nfs/dbraw/zinc/63/51/72/647635172.db2.gz DNPHOEZYMODHGQ-VXGBXAGGSA-N 0 3 312.364 2.437 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@H]1C ZINC000993407204 647652373 /nfs/dbraw/zinc/65/23/73/647652373.db2.gz FGCOEOIGPOWXSZ-HZPDHXFCSA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C3CC3)cnn2C)[C@H]1C ZINC000993411596 647656796 /nfs/dbraw/zinc/65/67/96/647656796.db2.gz QUKTVCKNKRVTJJ-CZUORRHYSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)[C@H]1C ZINC000993422203 647662679 /nfs/dbraw/zinc/66/26/79/647662679.db2.gz APSCZYGZJHDXJI-DOMZBBRYSA-N 0 3 315.417 2.433 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn3c2CCCC3)[C@H]1C ZINC000993440828 647670124 /nfs/dbraw/zinc/67/01/24/647670124.db2.gz DOGYKAQXAZWRSO-NVXWUHKLSA-N 0 3 313.445 2.430 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@@H]1C ZINC000993569315 647702314 /nfs/dbraw/zinc/70/23/14/647702314.db2.gz PQJQOPRFMJHXJD-GOEBONIOSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)[C@@H]1C ZINC000993586390 647709119 /nfs/dbraw/zinc/70/91/19/647709119.db2.gz ALTJRRGKJCSTJT-XJKSGUPXSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC000993711743 647728797 /nfs/dbraw/zinc/72/87/97/647728797.db2.gz AZDXXWIJXSGAEV-KBPBESRZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC000993711743 647728799 /nfs/dbraw/zinc/72/87/99/647728799.db2.gz AZDXXWIJXSGAEV-KBPBESRZSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(CC)oc2C)[C@@H]1C ZINC000993992079 647774392 /nfs/dbraw/zinc/77/43/92/647774392.db2.gz VJYYZLCUWUMGFI-JSGCOSHPSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2coc(CC3CC3)n2)[C@H]1C ZINC000994130270 647790693 /nfs/dbraw/zinc/79/06/93/647790693.db2.gz WXZHLKWJXDYACC-UKRRQHHQSA-N 0 3 315.417 2.233 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H]1C ZINC000994188781 647803456 /nfs/dbraw/zinc/80/34/56/647803456.db2.gz KTLXXGBGVHMHFJ-LSDHHAIUSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H]1C ZINC000994188781 647803460 /nfs/dbraw/zinc/80/34/60/647803460.db2.gz KTLXXGBGVHMHFJ-LSDHHAIUSA-N 0 3 316.449 2.448 20 30 DEEDHN CCOC(=O)c1ccc(C#N)c(SCCN2CCCC2)n1 ZINC000916554392 647878687 /nfs/dbraw/zinc/87/86/87/647878687.db2.gz LNQRDYFIIYDMHM-UHFFFAOYSA-N 0 3 305.403 2.318 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000820701911 647897932 /nfs/dbraw/zinc/89/79/32/647897932.db2.gz CLTKUZDSRKBNQR-CRAIPNDOSA-N 0 3 316.445 2.124 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC000994357745 647918710 /nfs/dbraw/zinc/91/87/10/647918710.db2.gz YKYIWMLMIUSCHE-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000917133554 647974544 /nfs/dbraw/zinc/97/45/44/647974544.db2.gz DZIVWXIDDXOHFG-GDBMZVCRSA-N 0 3 309.413 2.485 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CCCN(CCCO)C2)CCCCC1 ZINC000821053334 647978787 /nfs/dbraw/zinc/97/87/87/647978787.db2.gz XFILAYSUJPYRNZ-MRXNPFEDSA-N 0 3 308.466 2.476 20 30 DEEDHN C=CC1(CC(=O)N[C@H]2CCCN(CCCO)C2)CCCCC1 ZINC000821053333 647979125 /nfs/dbraw/zinc/97/91/25/647979125.db2.gz XFILAYSUJPYRNZ-INIZCTEOSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(Br)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000821279593 648024810 /nfs/dbraw/zinc/02/48/10/648024810.db2.gz MYSPPEBFCOBPJD-LBPRGKRZSA-N 0 3 303.244 2.080 20 30 DEEDHN COc1cc(C(=O)N[C@H](C)CN2CCCCC2)ccc1C#N ZINC000821830609 648117199 /nfs/dbraw/zinc/11/71/99/648117199.db2.gz MYQIAKYBFJUAJN-CYBMUJFWSA-N 0 3 301.390 2.171 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncccc2OCC)C[C@H]1C ZINC000948109767 648379848 /nfs/dbraw/zinc/37/98/48/648379848.db2.gz ZDQFIVXONMZGAO-CABCVRRESA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C3CC3)oc2C)C[C@H]1C ZINC000947877849 648434558 /nfs/dbraw/zinc/43/45/58/648434558.db2.gz GKALQCSIYHKNCL-IUODEOHRSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CC1(CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCCCC1 ZINC000823566102 648444326 /nfs/dbraw/zinc/44/43/26/648444326.db2.gz GLUJJUHUFNUDBT-HNNXBMFYSA-N 0 3 321.465 2.091 20 30 DEEDHN 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C=CCN1CC[C@H](NC(=O)c2ncccc2OCC)C(C)(C)C1 ZINC000941257962 649030120 /nfs/dbraw/zinc/03/01/20/649030120.db2.gz GPPKQLTWGDOPQQ-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnn2C2CCC2)[C@H](C)C1 ZINC000942055788 649145496 /nfs/dbraw/zinc/14/54/96/649145496.db2.gz CGKWFDVKKVMIDP-ZBFHGGJFSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000942109732 649158148 /nfs/dbraw/zinc/15/81/48/649158148.db2.gz QEDLXPCYQPYTNE-YPMHNXCESA-N 0 3 307.344 2.093 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)n(CC)n2)[C@@H](C)C1 ZINC000942115621 649160274 /nfs/dbraw/zinc/16/02/74/649160274.db2.gz BXGWHLGETRADFG-ZFWWWQNUSA-N 0 3 316.449 2.407 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](C)C1 ZINC000942116407 649160693 /nfs/dbraw/zinc/16/06/93/649160693.db2.gz IDIUIGKKDMDYAD-JQWIXIFHSA-N 0 3 310.829 2.252 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3cc(C)nc3s2)[C@H](C)C1 ZINC000942122700 649161247 /nfs/dbraw/zinc/16/12/47/649161247.db2.gz 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C#CCN1CC[C@@H](NC(=O)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC000945336196 649649633 /nfs/dbraw/zinc/64/96/33/649649633.db2.gz SOHCKPHHKVDZJV-CRAIPNDOSA-N 0 3 323.440 2.181 20 30 DEEDHN C=C[C@@H](C)ONC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000844286194 651104713 /nfs/dbraw/zinc/10/47/13/651104713.db2.gz TVXHLAZQOBAUQF-CYBMUJFWSA-N 0 3 313.467 2.153 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000844812181 651172762 /nfs/dbraw/zinc/17/27/62/651172762.db2.gz NIWVXVMBCIAQJN-HUUCEWRRSA-N 0 3 300.805 2.153 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000844970939 651188819 /nfs/dbraw/zinc/18/88/19/651188819.db2.gz VFBYGKKZRGSYFA-HXUWFJFHSA-N 0 3 319.408 2.457 20 30 DEEDHN C=C(C)CONC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000845616602 651261573 /nfs/dbraw/zinc/26/15/73/651261573.db2.gz UYBJEMUGEWPCGZ-QGZVFWFLSA-N 0 3 303.406 2.458 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)CCCN(C)Cc2ccncc2)c1 ZINC000846172515 651312865 /nfs/dbraw/zinc/31/28/65/651312865.db2.gz CWKWPKXSLCKCRX-UHFFFAOYSA-N 0 3 322.412 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/nfs/dbraw/zinc/04/45/99/652044599.db2.gz HQZYNUXZWHUIOJ-IBGZPJMESA-N 0 3 309.413 2.347 20 30 DEEDHN CCCCCCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000858113352 652258174 /nfs/dbraw/zinc/25/81/74/652258174.db2.gz RCQIAHNMAGBYOX-MRXNPFEDSA-N 0 3 312.502 2.282 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000852102983 652339414 /nfs/dbraw/zinc/33/94/14/652339414.db2.gz VFHYJSIRMHJXAG-SJCJKPOMSA-N 0 3 308.372 2.404 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccnc2ccccc12 ZINC000852359446 652391434 /nfs/dbraw/zinc/39/14/34/652391434.db2.gz JFBDGRKOKYYCFO-UHFFFAOYSA-N 0 3 324.428 2.032 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000854057504 652636630 /nfs/dbraw/zinc/63/66/30/652636630.db2.gz MFEIQJGUKQOKBN-ZWKOTPCHSA-N 0 3 313.445 2.357 20 30 DEEDHN C#C[C@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000854077225 652638479 /nfs/dbraw/zinc/63/84/79/652638479.db2.gz MTZZDRKQVXYZGP-GDBMZVCRSA-N 0 3 303.406 2.009 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@H]1CC1(F)F 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C#CCN1CCC(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000115281994 684063771 /nfs/dbraw/zinc/06/37/71/684063771.db2.gz OWKUIRHXEAXBDQ-UHFFFAOYSA-N 0 3 313.445 2.022 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1C ZINC000116591876 684065578 /nfs/dbraw/zinc/06/55/78/684065578.db2.gz JYVHRHFJCXHOEC-GOEBONIOSA-N 0 3 316.401 2.350 20 30 DEEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000119589127 684084195 /nfs/dbraw/zinc/08/41/95/684084195.db2.gz LHBXCFQMEXQEDT-DOMZBBRYSA-N 0 3 316.357 2.324 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCCCO1 ZINC000121983632 684111826 /nfs/dbraw/zinc/11/18/26/684111826.db2.gz JSMHERPWUGPYAR-WFASDCNBSA-N 0 3 316.357 2.302 20 30 DEEDHN Cc1ccc([N+](=O)[O-])cc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126306373 684153043 /nfs/dbraw/zinc/15/30/43/684153043.db2.gz GJMZELLDCFIQTF-ZDUSSCGKSA-N 0 3 324.296 2.259 20 30 DEEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1 ZINC000126312076 684153359 /nfs/dbraw/zinc/15/33/59/684153359.db2.gz 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C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001016746759 687694243 /nfs/dbraw/zinc/69/42/43/687694243.db2.gz JKUALKOQMKWUTM-WCXIOVBPSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(F)c(C)c2)CC1 ZINC001016797406 687705634 /nfs/dbraw/zinc/70/56/34/687705634.db2.gz AWCVRWRIQMVXLJ-INIZCTEOSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC001016850956 687718086 /nfs/dbraw/zinc/71/80/86/687718086.db2.gz MXBNVPRCJYBAKJ-OALUTQOASA-N 0 3 322.452 2.395 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC001016877451 687724933 /nfs/dbraw/zinc/72/49/33/687724933.db2.gz BNRYJFMWSALJEH-INIZCTEOSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3ccn(C)c3c2)CC1 ZINC001016912445 687732177 /nfs/dbraw/zinc/73/21/77/687732177.db2.gz CBCHVVMPRIBBNO-GOSISDBHSA-N 0 3 321.424 2.396 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2coc(C3CCC3)n2)CC1 ZINC001016920907 687734300 /nfs/dbraw/zinc/73/43/00/687734300.db2.gz 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/nfs/dbraw/zinc/92/36/01/687923601.db2.gz QDLJCFPUZLBFDE-YVSFHVDLSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C2CC2)cn1 ZINC001017690986 687940008 /nfs/dbraw/zinc/94/00/08/687940008.db2.gz SEOPJSUPHIYXIQ-CALCHBBNSA-N 0 3 314.433 2.012 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc2n[nH]cc2c1 ZINC001017730586 687949205 /nfs/dbraw/zinc/94/92/05/687949205.db2.gz PGXXDRUSUVXRCI-CALCHBBNSA-N 0 3 324.428 2.357 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868283648 687968946 /nfs/dbraw/zinc/96/89/46/687968946.db2.gz CIXDEPDBXIDUTA-ZDUSSCGKSA-N 0 3 303.406 2.403 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@@H]1C ZINC001017912797 687997663 /nfs/dbraw/zinc/99/76/63/687997663.db2.gz FRSZKAGCTOXJNI-NXOAAHMSSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2ccnc3ccccc32)CC1 ZINC000868580573 688065848 /nfs/dbraw/zinc/06/58/48/688065848.db2.gz BYAMHWBSUDRQBO-UHFFFAOYSA-N 0 3 321.424 2.338 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC000868581804 688067042 /nfs/dbraw/zinc/06/70/42/688067042.db2.gz UWLZDWSUSHIYID-OAHLLOKOSA-N 0 3 304.409 2.466 20 30 DEEDHN CCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC001018415534 688130147 /nfs/dbraw/zinc/13/01/47/688130147.db2.gz OUDJNKUBPWAQIQ-HNNXBMFYSA-N 0 3 301.390 2.057 20 30 DEEDHN CC(C)Oc1ccccc1CN[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001018632017 688189712 /nfs/dbraw/zinc/18/97/12/688189712.db2.gz LPKSYDFOHRESFW-ZBFHGGJFSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2oc3c(cccc3F)c2C)C1 ZINC001018967901 688263532 /nfs/dbraw/zinc/26/35/32/688263532.db2.gz MJSHIKYBTSSXQC-LBPRGKRZSA-N 0 3 300.333 2.318 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2-c2ccncc2)C1 ZINC001019035924 688274572 /nfs/dbraw/zinc/27/45/72/688274572.db2.gz FIDSCGGXZTWVBK-INIZCTEOSA-N 0 3 305.381 2.186 20 30 DEEDHN Cc1cccc([C@@H](O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000930543090 694185962 /nfs/dbraw/zinc/18/59/62/694185962.db2.gz KROORJCCCULUFM-ROUUACIJSA-N 0 3 323.396 2.448 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)s1 ZINC001019270843 688316627 /nfs/dbraw/zinc/31/66/27/688316627.db2.gz XSYBIDMPSNSIRI-DGAVXFQQSA-N 0 3 315.442 2.356 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)c3ccco3)C2)c1 ZINC001019941603 688424627 /nfs/dbraw/zinc/42/46/27/688424627.db2.gz IXNJFVJOTGBAIF-HDJSIYSDSA-N 0 3 313.332 2.341 20 30 DEEDHN C[C@@H](C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1)C1CC1 ZINC001020049595 688450585 /nfs/dbraw/zinc/45/05/85/688450585.db2.gz DVFXVBSTSOHXSC-HFBAOOFYSA-N 0 3 315.392 2.480 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001020248491 688490675 /nfs/dbraw/zinc/49/06/75/688490675.db2.gz KUNRXNLWHUOQAH-KYZUINATSA-N 0 3 317.220 2.228 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)c3ccncc3)C2)c1 ZINC001028373265 688537187 /nfs/dbraw/zinc/53/71/87/688537187.db2.gz IZXIKOHNMRGADS-QGZVFWFLSA-N 0 3 320.396 2.205 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001029012280 688549108 /nfs/dbraw/zinc/54/91/08/688549108.db2.gz KLKSZUXWZIZRRW-WFASDCNBSA-N 0 3 302.805 2.051 20 30 DEEDHN C=C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C(=O)OC ZINC000870532309 688589617 /nfs/dbraw/zinc/58/96/17/688589617.db2.gz SMPPZRQUQQEXAY-HNNXBMFYSA-N 0 3 303.358 2.167 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC2CN([C@@H]3CCc4ccccc43)C2)c1 ZINC001031603960 688960445 /nfs/dbraw/zinc/96/04/45/688960445.db2.gz CJMNSTNKWXKJSY-GOSISDBHSA-N 0 3 320.396 2.235 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001031767652 688992774 /nfs/dbraw/zinc/99/27/74/688992774.db2.gz KEFUBGOWAVRFIX-UHFFFAOYSA-N 0 3 311.429 2.454 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001032145396 689071602 /nfs/dbraw/zinc/07/16/02/689071602.db2.gz ZVSVILIIYVKDTF-UHFFFAOYSA-N 0 3 310.319 2.390 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(F)cc1F ZINC001032432491 689149627 /nfs/dbraw/zinc/14/96/27/689149627.db2.gz XGBPMSDMIJJGAM-KBPBESRZSA-N 0 3 322.355 2.205 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2n1 ZINC001032460540 689157305 /nfs/dbraw/zinc/15/73/05/689157305.db2.gz QMDMCTPWDKVJRY-GJZGRUSLSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001032593301 689196270 /nfs/dbraw/zinc/19/62/70/689196270.db2.gz BMQSAWOGSLEAII-YZUHTNEWSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)cc1 ZINC001032670143 689219147 /nfs/dbraw/zinc/21/91/47/689219147.db2.gz NZZFTUJIBJYZHV-IRXDYDNUSA-N 0 3 312.413 2.253 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(C)c1 ZINC001032682486 689223417 /nfs/dbraw/zinc/22/34/17/689223417.db2.gz HGWMJJVREOUXCK-HOTGVXAUSA-N 0 3 300.402 2.478 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OC)c1 ZINC001032766038 689252606 /nfs/dbraw/zinc/25/26/06/689252606.db2.gz OSPPTMZQDDJXLP-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1F ZINC001032779420 689257605 /nfs/dbraw/zinc/25/76/05/689257605.db2.gz KUZDFEXEGPEFJX-KBPBESRZSA-N 0 3 304.365 2.066 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(C2CCCC2)n1 ZINC000873497506 689258458 /nfs/dbraw/zinc/25/84/58/689258458.db2.gz MESFBODZZLHIKW-ZDUSSCGKSA-N 0 3 317.414 2.354 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001033083383 689381368 /nfs/dbraw/zinc/38/13/68/689381368.db2.gz JPMVHYXHANJUGQ-CHWSQXEVSA-N 0 3 322.840 2.115 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(CC)noc2CC)C1 ZINC001033155455 689407428 /nfs/dbraw/zinc/40/74/28/689407428.db2.gz KHOWIGFYKVVRLK-AWEZNQCLSA-N 0 3 319.449 2.451 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)no2)C1 ZINC001033167828 689410706 /nfs/dbraw/zinc/41/07/06/689410706.db2.gz BRTQIEMPTYVENY-SNVBAGLBSA-N 0 3 317.311 2.416 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033189925 689418214 /nfs/dbraw/zinc/41/82/14/689418214.db2.gz DOSXQCQLCZUKEY-OWCLPIDISA-N 0 3 302.443 2.408 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ncoc2C(F)(F)F)C1 ZINC001033210483 689426604 /nfs/dbraw/zinc/42/66/04/689426604.db2.gz DILQIDAAUJDSEJ-JTQLQIEISA-N 0 3 317.311 2.416 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2F)C1 ZINC001033229718 689431839 /nfs/dbraw/zinc/43/18/39/689431839.db2.gz CLKWAEHPFGDVAX-CYBMUJFWSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001033259460 689441699 /nfs/dbraw/zinc/44/16/99/689441699.db2.gz MKUFESKLKVJUTE-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001033261156 689442792 /nfs/dbraw/zinc/44/27/92/689442792.db2.gz GCMBITUSLPHBPY-GOSISDBHSA-N 0 3 309.413 2.496 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2conc2C(F)(F)F)C1 ZINC001033264025 689443669 /nfs/dbraw/zinc/44/36/69/689443669.db2.gz ZBHVTVUDGAZJCZ-SNVBAGLBSA-N 0 3 317.311 2.416 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001033275966 689448299 /nfs/dbraw/zinc/44/82/99/689448299.db2.gz QOVTYADKECACAK-ZBFHGGJFSA-N 0 3 312.413 2.180 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccn(C(C)C)n2)C1 ZINC001033279249 689449064 /nfs/dbraw/zinc/44/90/64/689449064.db2.gz FQKLCTOAABEGFU-INIZCTEOSA-N 0 3 304.438 2.115 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)nc(OC)c2)C1 ZINC001033365389 689477893 /nfs/dbraw/zinc/47/78/93/689477893.db2.gz FXXSWPWKUOLSIY-OAHLLOKOSA-N 0 3 303.406 2.121 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C[C@H]3CCCCO3)C2)C1 ZINC001033394175 689486620 /nfs/dbraw/zinc/48/66/20/689486620.db2.gz PYJNHHPDOUFDOK-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN CCOC(=O)c1c[nH]nc1[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000931010575 694293922 /nfs/dbraw/zinc/29/39/22/694293922.db2.gz REQYGVDMJGTODO-JHJVBQTASA-N 0 3 302.378 2.068 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccnc(OCC)c2)C1 ZINC001033405851 689490476 /nfs/dbraw/zinc/49/04/76/689490476.db2.gz PHOYUGHJJRMSDR-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2csc(C3CC3)n2)C1 ZINC001033477763 689515424 /nfs/dbraw/zinc/51/54/24/689515424.db2.gz QLVDPXMSMPRIOV-OAHLLOKOSA-N 0 3 317.458 2.119 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(CCCF)C2)cc1 ZINC001033486997 689519586 /nfs/dbraw/zinc/51/95/86/689519586.db2.gz CFCMTWKWJMUFKB-INIZCTEOSA-N 0 3 318.392 2.205 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001033492782 689520000 /nfs/dbraw/zinc/52/00/00/689520000.db2.gz CCDPMYYVCOHTDW-GOSISDBHSA-N 0 3 322.412 2.246 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033493239 689520935 /nfs/dbraw/zinc/52/09/35/689520935.db2.gz VHJSTKKORNNQRT-ULQDDVLXSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001033539430 689535400 /nfs/dbraw/zinc/53/54/00/689535400.db2.gz FXUOKYAZBQGZAZ-AWEZNQCLSA-N 0 3 301.390 2.030 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033675077 689580447 /nfs/dbraw/zinc/58/04/47/689580447.db2.gz LJZNJBFJLUKWDJ-YOEHRIQHSA-N 0 3 302.393 2.485 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001033676241 689581252 /nfs/dbraw/zinc/58/12/52/689581252.db2.gz QDDYYZWWTGFCBR-CQSZACIVSA-N 0 3 303.406 2.126 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001033692800 689585444 /nfs/dbraw/zinc/58/54/44/689585444.db2.gz ZDKHJTBGHIHAHS-ZDUSSCGKSA-N 0 3 315.373 2.256 20 30 DEEDHN CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033801731 689622374 /nfs/dbraw/zinc/62/23/74/689622374.db2.gz JTKWIVUOKCTGGQ-MRXNPFEDSA-N 0 3 300.406 2.389 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001033868941 689645502 /nfs/dbraw/zinc/64/55/02/689645502.db2.gz WFMDSYLKOYOCEP-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnc3ccccn23)C1 ZINC001033881494 689648839 /nfs/dbraw/zinc/64/88/39/689648839.db2.gz RUZIGVANTSSXRD-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001033957243 689674116 /nfs/dbraw/zinc/67/41/16/689674116.db2.gz JYLMYVRRHWJQJK-QGZVFWFLSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccnc(N(C)C)c2)C1 ZINC001033975267 689680083 /nfs/dbraw/zinc/68/00/83/689680083.db2.gz DYXYRCURHBLDAT-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034015868 689694420 /nfs/dbraw/zinc/69/44/20/689694420.db2.gz QGRGAJVVOSLNOF-ZBFHGGJFSA-N 0 3 316.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nn(C)c3ccccc23)C1 ZINC001034021754 689696495 /nfs/dbraw/zinc/69/64/95/689696495.db2.gz VQUKYFFNAJAXCU-OAHLLOKOSA-N 0 3 324.428 2.133 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3nccnc3c2)C1 ZINC001034040658 689703083 /nfs/dbraw/zinc/70/30/83/689703083.db2.gz ZDFMSMQAZKGHSL-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001034220417 689768464 /nfs/dbraw/zinc/76/84/64/689768464.db2.gz ZWVFFUSWARCPKG-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001034228407 689772119 /nfs/dbraw/zinc/77/21/19/689772119.db2.gz DWMQLXOAJKQJDD-HNNXBMFYSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC001034229565 689773152 /nfs/dbraw/zinc/77/31/52/689773152.db2.gz SLBXUQKGEDWFHA-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001034232228 689774005 /nfs/dbraw/zinc/77/40/05/689774005.db2.gz DZGXJXWCCHZVFM-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001034237529 689775762 /nfs/dbraw/zinc/77/57/62/689775762.db2.gz UTHQWNDLFKDAOE-ZDUSSCGKSA-N 0 3 321.396 2.390 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001034270507 689789294 /nfs/dbraw/zinc/78/92/94/689789294.db2.gz BUBHLVGKTSTLGG-GFCCVEGCSA-N 0 3 322.359 2.022 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001034273116 689790093 /nfs/dbraw/zinc/79/00/93/689790093.db2.gz ZTUJEQZSPKIJSP-HNNXBMFYSA-N 0 3 312.417 2.034 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001034283444 689794048 /nfs/dbraw/zinc/79/40/48/689794048.db2.gz SSGRSUOHSDCRMZ-MRXNPFEDSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001034286142 689795911 /nfs/dbraw/zinc/79/59/11/689795911.db2.gz JFHOAQKTHBSICH-LBPRGKRZSA-N 0 3 322.840 2.235 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)cc(OC)c1C ZINC000931106772 694316480 /nfs/dbraw/zinc/31/64/80/694316480.db2.gz SLDVAPMIFXMDBI-UHFFFAOYSA-N 0 3 303.406 2.389 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001034325024 689809223 /nfs/dbraw/zinc/80/92/23/689809223.db2.gz FHLZJWMZUXMROE-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001034396112 689834363 /nfs/dbraw/zinc/83/43/63/689834363.db2.gz CJSLBUDULFPBOK-DZGCQCFKSA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001034458773 689856586 /nfs/dbraw/zinc/85/65/86/689856586.db2.gz SGVVTTQJWLZMJM-INIZCTEOSA-N 0 3 316.449 2.209 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000876573109 689861435 /nfs/dbraw/zinc/86/14/35/689861435.db2.gz MMTJBIBXTTYQJX-HZPDHXFCSA-N 0 3 322.836 2.429 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)c(OC)cc1OC ZINC000876685098 689902506 /nfs/dbraw/zinc/90/25/06/689902506.db2.gz XVOVOYGOMAZDNN-VIFPVBQESA-N 0 3 302.733 2.251 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2coc(CCC)n2)C1 ZINC001034487076 689869602 /nfs/dbraw/zinc/86/96/02/689869602.db2.gz NHROXRQHRYUAFE-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000876668699 689895433 /nfs/dbraw/zinc/89/54/33/689895433.db2.gz OCELUWLWSXLROR-HUUCEWRRSA-N 0 3 308.809 2.365 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001034553590 689897323 /nfs/dbraw/zinc/89/73/23/689897323.db2.gz YJICNRXJWYMRGO-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000876687515 689903131 /nfs/dbraw/zinc/90/31/31/689903131.db2.gz QAGMTTYZKJGPKZ-ZDUSSCGKSA-N 0 3 309.797 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000876703498 689909398 /nfs/dbraw/zinc/90/93/98/689909398.db2.gz LQOYPNUQITWGLK-NSHDSACASA-N 0 3 318.160 2.334 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000876773125 689932721 /nfs/dbraw/zinc/93/27/21/689932721.db2.gz WYOMJZCIUUZVJJ-JTQLQIEISA-N 0 3 308.769 2.302 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000876899030 689968308 /nfs/dbraw/zinc/96/83/08/689968308.db2.gz SBAYUUWKUBRCEK-KGLIPLIRSA-N 0 3 321.808 2.070 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000876902544 689968866 /nfs/dbraw/zinc/96/88/66/689968866.db2.gz NGDJUPJKUWVJLE-KBPBESRZSA-N 0 3 308.809 2.086 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000876935652 689976999 /nfs/dbraw/zinc/97/69/99/689976999.db2.gz DZASIEFAOJUFDU-AWEZNQCLSA-N 0 3 300.830 2.122 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000876971049 689986746 /nfs/dbraw/zinc/98/67/46/689986746.db2.gz LFIGKWYUBOLMTN-ZIAGYGMSSA-N 0 3 300.830 2.264 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)C#CC2CC2)s1 ZINC001034934960 689995487 /nfs/dbraw/zinc/99/54/87/689995487.db2.gz BENLRWJOIUUWPU-CQSZACIVSA-N 0 3 313.426 2.114 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001035013405 690009146 /nfs/dbraw/zinc/00/91/46/690009146.db2.gz BMAQPZGLELCQGN-QWHCGFSZSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)NCC)sc1C ZINC000877204812 690045894 /nfs/dbraw/zinc/04/58/94/690045894.db2.gz OXWITSXUHRUNBN-VIFPVBQESA-N 0 3 315.826 2.215 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(C(F)(F)F)nc1 ZINC000877429551 690110512 /nfs/dbraw/zinc/11/05/12/690110512.db2.gz KDILFTLSKIMIHA-KOLCDFICSA-N 0 3 314.311 2.299 20 30 DEEDHN COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC000877466017 690121428 /nfs/dbraw/zinc/12/14/28/690121428.db2.gz DLOBPAOHXHAXKB-WFASDCNBSA-N 0 3 301.390 2.008 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(C)ccn1C)CC2 ZINC001035694970 690154642 /nfs/dbraw/zinc/15/46/42/690154642.db2.gz DGJBTQPDPDYLCT-UHFFFAOYSA-N 0 3 301.434 2.448 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC001035742229 690165819 /nfs/dbraw/zinc/16/58/19/690165819.db2.gz RDLBVHUXRMZJJU-ZACQAIPSSA-N 0 3 300.446 2.370 20 30 DEEDHN C[C@@H](CO)C1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877612882 690167333 /nfs/dbraw/zinc/16/73/33/690167333.db2.gz PYRKGFQEDAOMFL-AWEZNQCLSA-N 0 3 301.434 2.465 20 30 DEEDHN C#C[C@@H]1CCCN(C[C@H](CCOC)NC(=O)OC(C)(C)C)C1 ZINC000877617928 690169012 /nfs/dbraw/zinc/16/90/12/690169012.db2.gz ZXDDOLLTBPQOAG-CABCVRRESA-N 0 3 310.438 2.261 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1Cc3ccccc31)CC2 ZINC001035778460 690173759 /nfs/dbraw/zinc/17/37/59/690173759.db2.gz CONQCLISHIAARE-GOSISDBHSA-N 0 3 308.425 2.274 20 30 DEEDHN Cc1ccc(CN2CCN(c3ccc(C#N)nc3)CC2)c(O)c1 ZINC000877645253 690177606 /nfs/dbraw/zinc/17/76/06/690177606.db2.gz FWISEDPTNZZDHF-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCN2CC(F)F)c1 ZINC000877652214 690179888 /nfs/dbraw/zinc/17/98/88/690179888.db2.gz SJXCDIGQPRJOCS-LBPRGKRZSA-N 0 3 314.767 2.426 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cnoc1C(C)C)CC2 ZINC001035831364 690186890 /nfs/dbraw/zinc/18/68/90/690186890.db2.gz JNJPTOCJOGLAIZ-UHFFFAOYSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)c1cccnc1)CC2 ZINC001035835906 690188344 /nfs/dbraw/zinc/18/83/44/690188344.db2.gz VXXTUOQPFBXQLH-INIZCTEOSA-N 0 3 311.429 2.133 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc(F)ccc1C#N ZINC001035876574 690202599 /nfs/dbraw/zinc/20/25/99/690202599.db2.gz ALVDIIRAKWHNPR-PXAZEXFGSA-N 0 3 315.392 2.434 20 30 DEEDHN N#Cc1cnn2cc(CNC3([C@H]4CCCCO4)CCC3)cnc12 ZINC000877771483 690220977 /nfs/dbraw/zinc/22/09/77/690220977.db2.gz QADINCYIQPKHRL-OAHLLOKOSA-N 0 3 311.389 2.182 20 30 DEEDHN C=CCOc1ccccc1CN1CCC(C(=O)NOC)CC1 ZINC000877787487 690229335 /nfs/dbraw/zinc/22/93/35/690229335.db2.gz NGZGGHGOMDHJRW-UHFFFAOYSA-N 0 3 304.390 2.141 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2nccn2CC)[C@@H](C)C1 ZINC001036145206 690274949 /nfs/dbraw/zinc/27/49/49/690274949.db2.gz WVVJLAZXVDRXJP-GJZGRUSLSA-N 0 3 318.465 2.442 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cnns3)[C@@H](C)C2)C1 ZINC001036168617 690279892 /nfs/dbraw/zinc/27/98/92/690279892.db2.gz JAPNUJPPWNOUNL-JSGCOSHPSA-N 0 3 320.462 2.221 20 30 DEEDHN CC(=O)[C@](C#N)(CCN(C)C[C@H]1CCOC1)c1ccccc1 ZINC000878168009 690333601 /nfs/dbraw/zinc/33/36/01/690333601.db2.gz NFLRWFQVHDQOJK-SJLPKXTDSA-N 0 3 300.402 2.395 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H]1[C@H](C)CCCN1C(C)=O ZINC001036482445 690362435 /nfs/dbraw/zinc/36/24/35/690362435.db2.gz CRBFDLODBKBBDR-DYVFJYSZSA-N 0 3 315.417 2.303 20 30 DEEDHN CC(=O)N1CC[C@@H]2[C@@H](CCN2CC#Cc2ccc(F)cc2)C1 ZINC001036605424 690395954 /nfs/dbraw/zinc/39/59/54/690395954.db2.gz TXUAGDFZKPNSGF-FUHWJXTLSA-N 0 3 300.377 2.120 20 30 DEEDHN CCC(=O)N1CC[C@H]2[C@H](CCN2Cc2ccc(C#N)s2)C1 ZINC001036609291 690398956 /nfs/dbraw/zinc/39/89/56/690398956.db2.gz YKKGCPQYLPXWQR-DOMZBBRYSA-N 0 3 303.431 2.453 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2Cc2cncn2C)C1 ZINC001036792903 690476624 /nfs/dbraw/zinc/47/66/24/690476624.db2.gz WJMVRZSDLQRCGG-GDBMZVCRSA-N 0 3 316.449 2.055 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC2(CCC2)CO1 ZINC000878802635 690502928 /nfs/dbraw/zinc/50/29/28/690502928.db2.gz MKYARYXYIWRLIM-IRXDYDNUSA-N 0 3 300.402 2.483 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@@H]2CNCc2ccn(C)n2)C1 ZINC001037075294 690565909 /nfs/dbraw/zinc/56/59/09/690565909.db2.gz NUXVRGWCYBPYOM-ZBFHGGJFSA-N 0 3 316.449 2.151 20 30 DEEDHN CC(=O)N[C@H]1CCCC[C@H]1CNCc1cc(F)ccc1C#N ZINC001037133275 690577737 /nfs/dbraw/zinc/57/77/37/690577737.db2.gz VVUNJZSUOGDTPH-YOEHRIQHSA-N 0 3 303.381 2.482 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1C[C@H](OC)CC[C@H]1C ZINC000879320346 690618639 /nfs/dbraw/zinc/61/86/39/690618639.db2.gz HULOVROSCKUCQG-UKRRQHHQSA-N 0 3 304.390 2.445 20 30 DEEDHN CC[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nccs1 ZINC001037839885 690620760 /nfs/dbraw/zinc/62/07/60/690620760.db2.gz OQFJFTRCWLRDMR-GJZGRUSLSA-N 0 3 317.458 2.273 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649198 690699155 /nfs/dbraw/zinc/69/91/55/690699155.db2.gz NOTALSYDTSBJDR-XNJGSVPQSA-N 0 3 303.406 2.486 20 30 DEEDHN C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1[O-] ZINC000879650379 690699440 /nfs/dbraw/zinc/69/94/40/690699440.db2.gz YBEKMTWSBWKGDN-HIFRSBDPSA-N 0 3 312.369 2.354 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001038394729 690804577 /nfs/dbraw/zinc/80/45/77/690804577.db2.gz YOTYWECIJYOJLW-FUHWJXTLSA-N 0 3 313.445 2.280 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001038429037 690820316 /nfs/dbraw/zinc/82/03/16/690820316.db2.gz LMWLMGWOTDNTNY-AWEZNQCLSA-N 0 3 318.421 2.052 20 30 DEEDHN N#Cc1ccc(OCCCN2CCNC(=O)CC23CCC3)cc1 ZINC000880170768 690829167 /nfs/dbraw/zinc/82/91/67/690829167.db2.gz VZDYGFIWDUEOEA-UHFFFAOYSA-N 0 3 313.401 2.072 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)c1 ZINC001038684918 690898207 /nfs/dbraw/zinc/89/82/07/690898207.db2.gz NTYKGZSLUMALST-QGZVFWFLSA-N 0 3 311.429 2.303 20 30 DEEDHN C#CCC1(O)CCN(CCOc2ccc(OCC)cc2)CC1 ZINC000880477920 690907651 /nfs/dbraw/zinc/90/76/51/690907651.db2.gz YCOBCYRHTDDDBA-UHFFFAOYSA-N 0 3 303.402 2.314 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038734854 690909252 /nfs/dbraw/zinc/90/92/52/690909252.db2.gz IXGCVAWQDUPFQZ-ZDUSSCGKSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCN1CC[C@@H](N2Cc3ccccc3N3CCC[C@H]3C2)C1=O ZINC000880553105 690925517 /nfs/dbraw/zinc/92/55/17/690925517.db2.gz BKKCPOQVRNSPCQ-FUHWJXTLSA-N 0 3 311.429 2.258 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038813571 690931404 /nfs/dbraw/zinc/93/14/04/690931404.db2.gz DDVKBPJSMTUXEB-HNNXBMFYSA-N 0 3 304.438 2.290 20 30 DEEDHN CC(C)C[C@@H](C(N)=O)N(C)CCCOc1ccc(C#N)cc1 ZINC000880587537 690933986 /nfs/dbraw/zinc/93/39/86/690933986.db2.gz GVNCHGYSLTVUMT-INIZCTEOSA-N 0 3 303.406 2.159 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(CC)c[nH]c1=O ZINC001038865303 690949167 /nfs/dbraw/zinc/94/91/67/690949167.db2.gz VUPJAUKQCMHOQV-AWEZNQCLSA-N 0 3 303.406 2.120 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000931477875 694408387 /nfs/dbraw/zinc/40/83/87/694408387.db2.gz GAGOHZBWRCEVNW-BONVTDFDSA-N 0 3 302.353 2.302 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001038926609 690969050 /nfs/dbraw/zinc/96/90/50/690969050.db2.gz VUVCUQSUYJDDJU-GFCCVEGCSA-N 0 3 316.361 2.100 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccnc1OCC ZINC001038987725 690984818 /nfs/dbraw/zinc/98/48/18/690984818.db2.gz VFGBMPXLPPNHDY-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(C)sn2)C1 ZINC001039197679 691049830 /nfs/dbraw/zinc/04/98/30/691049830.db2.gz BMKQSOQRCLOPCJ-ZBFHGGJFSA-N 0 3 317.458 2.401 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2nocc2C)C1 ZINC001039247096 691068081 /nfs/dbraw/zinc/06/80/81/691068081.db2.gz 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C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)n[nH]c1C(C)C ZINC001049845307 693019184 /nfs/dbraw/zinc/01/91/84/693019184.db2.gz XFURNRLVFORASZ-HUUCEWRRSA-N 0 3 314.433 2.154 20 30 DEEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(Cl)no1 ZINC001049853150 693023484 /nfs/dbraw/zinc/02/34/84/693023484.db2.gz DEKFVRCRTIFIGR-VXGBXAGGSA-N 0 3 307.781 2.030 20 30 DEEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(C)c(C)s1 ZINC001049899753 693040950 /nfs/dbraw/zinc/04/09/50/693040950.db2.gz NOEYYNBRTUPKHD-LSDHHAIUSA-N 0 3 317.458 2.462 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1nccs1 ZINC001049899692 693041011 /nfs/dbraw/zinc/04/10/11/693041011.db2.gz MWKKUKJWSWMDRA-GJZGRUSLSA-N 0 3 317.458 2.164 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C)nc1 ZINC001049901801 693042111 /nfs/dbraw/zinc/04/21/11/693042111.db2.gz QBCQZHFQCWMTEC-ROUUACIJSA-N 0 3 311.429 2.021 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CC)n(C)n1 ZINC001049936028 693052952 /nfs/dbraw/zinc/05/29/52/693052952.db2.gz 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CC#CCN1CCC2(CN(C(=O)c3ccc(OC)cc3)C2)CC1 ZINC001050737596 693241581 /nfs/dbraw/zinc/24/15/81/693241581.db2.gz DOEXAGFTSNIHAK-UHFFFAOYSA-N 0 3 312.413 2.257 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccc4ccccc4n3)C2)CC1 ZINC001050739359 693242017 /nfs/dbraw/zinc/24/20/17/693242017.db2.gz NOXMDZFPFJETOZ-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN C=CCn1ncc2ccc(NC(=O)N3C[C@H](C)NC[C@H]3C)cc21 ZINC000926215932 693417294 /nfs/dbraw/zinc/41/72/94/693417294.db2.gz CQUKZVIDOLWXLJ-QWHCGFSZSA-N 0 3 313.405 2.436 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C2)CC1 ZINC001051992824 693424492 /nfs/dbraw/zinc/42/44/92/693424492.db2.gz LBBYPUBAMMECTO-HRYDCMBCSA-N 0 3 317.477 2.137 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N2CCN(CCC3CC3)CC2)C1 ZINC001052060571 693435947 /nfs/dbraw/zinc/43/59/47/693435947.db2.gz HWGCUMNEFWAKBV-KRWDZBQOSA-N 0 3 319.493 2.217 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N2CCN(CC(C)C)CC2)C1 ZINC001052075615 693437983 /nfs/dbraw/zinc/43/79/83/693437983.db2.gz 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CC#CCN1CCC[C@@H](NC(=O)c2cncnc2C(C)C)CC1 ZINC001052941978 693653558 /nfs/dbraw/zinc/65/35/58/693653558.db2.gz XEICEEWLBHXEMT-OAHLLOKOSA-N 0 3 314.433 2.208 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H]([C@H]2CCCN(CCF)C2)C1 ZINC001053024936 693673112 /nfs/dbraw/zinc/67/31/12/693673112.db2.gz SXFJYFOSWCOAIE-IRXDYDNUSA-N 0 3 306.425 2.320 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2c[nH]c(C)n2)C1 ZINC001053077849 693684538 /nfs/dbraw/zinc/68/45/38/693684538.db2.gz MPVQOHDAXDCNEW-WBVHZDCISA-N 0 3 314.433 2.058 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000932444986 694616818 /nfs/dbraw/zinc/61/68/18/694616818.db2.gz RRQDGMZDKKYTGJ-MRXNPFEDSA-N 0 3 318.465 2.408 20 30 DEEDHN Cc1ccc(N(CCC#N)C(=O)CN[C@H]2COC[C@@H]2C)cc1C ZINC000932502276 694627449 /nfs/dbraw/zinc/62/74/49/694627449.db2.gz ULHFJDHTVPXWIX-RDJZCZTQSA-N 0 3 315.417 2.175 20 30 DEEDHN C#CCCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001332090276 1149818417 /nfs/dbraw/zinc/81/84/17/1149818417.db2.gz 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/nfs/dbraw/zinc/26/58/49/1153265849.db2.gz ICHYATCLEDIPBH-OSYLJGHBSA-N 0 3 309.413 2.152 20 30 DEEDHN Cn1cncc1C1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001363333604 1153341567 /nfs/dbraw/zinc/34/15/67/1153341567.db2.gz RPKREJYGRLXCBB-SFHVURJKSA-N 0 3 310.401 2.205 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2c(C)n[nH]c2C)C1 ZINC001382591825 1153477898 /nfs/dbraw/zinc/47/78/98/1153477898.db2.gz XVXDMCWLJLLNOX-UHFFFAOYSA-N 0 3 324.856 2.291 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cc[nH]c1 ZINC001402988274 1162601383 /nfs/dbraw/zinc/60/13/83/1162601383.db2.gz KWKWVNKZWBGCIV-QWRGUYRKSA-N 0 3 302.403 2.244 20 30 DEEDHN C[C@H](CNC(=O)CC[C@@H]1CCOC1)NCc1ccc(C#N)s1 ZINC001390329249 1155652967 /nfs/dbraw/zinc/65/29/67/1155652967.db2.gz PTSUMZNEFKZJPT-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](CNC(=O)c1ccncc1F)NCc1ccc(C#N)s1 ZINC001371152824 1155740923 /nfs/dbraw/zinc/74/09/23/1155740923.db2.gz QNFDALNMYNMAPI-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN Cc1ccc(F)c(CN[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)c1 ZINC001371163122 1155749983 /nfs/dbraw/zinc/74/99/83/1155749983.db2.gz GGNCOOKCCSHLQE-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001403109699 1162727854 /nfs/dbraw/zinc/72/78/54/1162727854.db2.gz CVQMZVBYTHWKDC-KBPBESRZSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H](C)C1CC1 ZINC001390657826 1155829698 /nfs/dbraw/zinc/82/96/98/1155829698.db2.gz RSAGQGNKFPTSSW-QWRGUYRKSA-N 0 3 303.244 2.426 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001371361374 1155833289 /nfs/dbraw/zinc/83/32/89/1155833289.db2.gz XQUBYSNKNUWRJU-BXUZGUMPSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001371361376 1155833431 /nfs/dbraw/zinc/83/34/31/1155833431.db2.gz XQUBYSNKNUWRJU-FZMZJTMJSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001371361381 1155833471 /nfs/dbraw/zinc/83/34/71/1155833471.db2.gz XQUBYSNKNUWRJU-SMDDNHRTSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001371802963 1156022416 /nfs/dbraw/zinc/02/24/16/1156022416.db2.gz IQXWXQWYCRFXCS-QWHCGFSZSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001371820176 1156030438 /nfs/dbraw/zinc/03/04/38/1156030438.db2.gz SPPFSJHFRQFKJN-WUHRBBMRSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001373303527 1156952627 /nfs/dbraw/zinc/95/26/27/1156952627.db2.gz XYXPCZDFLGCNOW-JSGCOSHPSA-N 0 3 324.856 2.121 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001373303527 1156952645 /nfs/dbraw/zinc/95/26/45/1156952645.db2.gz XYXPCZDFLGCNOW-JSGCOSHPSA-N 0 3 324.856 2.121 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C[C@@H]1CCCCO1 ZINC001392471355 1157063593 /nfs/dbraw/zinc/06/35/93/1157063593.db2.gz YQFQXOFFTHUPMY-OLZOCXBDSA-N 0 3 321.446 2.173 20 30 DEEDHN Cc1ccncc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001392551940 1157126425 /nfs/dbraw/zinc/12/64/25/1157126425.db2.gz GFTJSBHLHYRLRZ-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001373672141 1157244371 /nfs/dbraw/zinc/24/43/71/1157244371.db2.gz WJMOKZCLGZLVSY-CZUORRHYSA-N 0 3 310.401 2.360 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1ccco1 ZINC001403334869 1162849177 /nfs/dbraw/zinc/84/91/77/1162849177.db2.gz LMMRHTDRZPOLRX-SNVBAGLBSA-N 0 3 301.184 2.286 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001392680239 1157328533 /nfs/dbraw/zinc/32/85/33/1157328533.db2.gz YCTSDKACQWIESU-CJNGLKHVSA-N 0 3 321.396 2.274 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)C2CC2)C2CC2)c(F)c1 ZINC001392754342 1157388845 /nfs/dbraw/zinc/38/88/45/1157388845.db2.gz DCGGZDPYBDTPJV-MRXNPFEDSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1cnn(CC)c1)C1CC1 ZINC001373901610 1157447965 /nfs/dbraw/zinc/44/79/65/1157447965.db2.gz SSQMDOXHTOUVFO-MRXNPFEDSA-N 0 3 324.856 2.073 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001392908903 1157533181 /nfs/dbraw/zinc/53/31/81/1157533181.db2.gz SHEARCYCGXCJAM-CYBMUJFWSA-N 0 3 324.856 2.388 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cn(C)nc2CC)CCCC1 ZINC001374160874 1157676040 /nfs/dbraw/zinc/67/60/40/1157676040.db2.gz DTUYJEHPWARAOC-UHFFFAOYSA-N 0 3 324.856 2.367 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@@H](C)OCC)C(C)C ZINC001374413572 1157846167 /nfs/dbraw/zinc/84/61/67/1157846167.db2.gz YDXZELKFCCAOFA-VXGBXAGGSA-N 0 3 321.259 2.050 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@]1(C)CCCOC1)C(C)C ZINC001374439416 1157856129 /nfs/dbraw/zinc/85/61/29/1157856129.db2.gz PHLWKMSPVAHANV-ZFWWWQNUSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC23CCC3)CCOCC1 ZINC001393715815 1157920234 /nfs/dbraw/zinc/92/02/34/1157920234.db2.gz KBKQKBXCZUWQFX-CYBMUJFWSA-N 0 3 312.841 2.184 20 30 DEEDHN CC(C)Oc1ccccc1CNC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001374738819 1157995134 /nfs/dbraw/zinc/99/51/34/1157995134.db2.gz SDHHTAWXAGOALP-ZIAGYGMSSA-N 0 3 303.406 2.228 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@@H](C)C1CC1 ZINC001374744497 1158000920 /nfs/dbraw/zinc/00/09/20/1158000920.db2.gz LAQZLZMVYPGNNX-NEPJUHHUSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CCCF ZINC001393979841 1158128275 /nfs/dbraw/zinc/12/82/75/1158128275.db2.gz VDZCNUFEHMQRPH-RYUDHWBXSA-N 0 3 309.360 2.430 20 30 DEEDHN CC[C@@H](CN(C)CCN(C(=O)c1cc(C#N)c[nH]1)C(C)C)OC ZINC001394801847 1158783788 /nfs/dbraw/zinc/78/37/88/1158783788.db2.gz OLJBLLRJZUNWIJ-HNNXBMFYSA-N 0 3 320.437 2.094 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]cn1)C2 ZINC001376379699 1159373535 /nfs/dbraw/zinc/37/35/35/1159373535.db2.gz SQDKUOAOZOLJSU-YOWGUQMCSA-N 0 3 322.840 2.064 20 30 DEEDHN CC[C@@H](OC)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001377007509 1159874340 /nfs/dbraw/zinc/87/43/40/1159874340.db2.gz JMJWDWRBOYBJTG-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001377069168 1159890337 /nfs/dbraw/zinc/89/03/37/1159890337.db2.gz SNFKAOHXVVDVEP-IJLUTSLNSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C(C)(F)F)CCOCC1 ZINC001377200574 1160029837 /nfs/dbraw/zinc/02/98/37/1160029837.db2.gz HYWRWCYBBNTBGK-NSHDSACASA-N 0 3 324.799 2.285 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC001377321490 1160211807 /nfs/dbraw/zinc/21/18/07/1160211807.db2.gz PDKZDJNBUPHHTR-RHSMWYFYSA-N 0 3 324.428 2.435 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)CCC(C)(F)F)CC1 ZINC001377351044 1160254462 /nfs/dbraw/zinc/25/44/62/1160254462.db2.gz MYIZCYFEDGSZJI-UHFFFAOYSA-N 0 3 324.799 2.117 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cn(C)nc1C ZINC001398185566 1160810205 /nfs/dbraw/zinc/81/02/05/1160810205.db2.gz GHFFBDWSGWEYGK-HIFRSBDPSA-N 0 3 324.856 2.454 20 30 DEEDHN C[C@H](CNC(=O)c1cscn1)N(C)Cc1ccc(C#N)cc1 ZINC001378006308 1160905314 /nfs/dbraw/zinc/90/53/14/1160905314.db2.gz XAPHHJHDSRINBX-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cc(OC)c(OC)cc1C ZINC001492872705 1160922385 /nfs/dbraw/zinc/92/23/85/1160922385.db2.gz ZHAAIRXFKMAYJB-UHFFFAOYSA-N 0 3 306.406 2.250 20 30 DEEDHN CCCCC(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001398534795 1160953980 /nfs/dbraw/zinc/95/39/80/1160953980.db2.gz KODODXQZFAJPFH-WKILWMFISA-N 0 3 315.417 2.494 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2ccc(OC)nc2)C1 ZINC001398538233 1160956448 /nfs/dbraw/zinc/95/64/48/1160956448.db2.gz WKMUKFULZZUUMG-HDJSIYSDSA-N 0 3 323.824 2.012 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001398759995 1161093359 /nfs/dbraw/zinc/09/33/59/1161093359.db2.gz FUSICOOMOHXKOC-KGLIPLIRSA-N 0 3 301.862 2.050 20 30 DEEDHN C[C@H](CNC(=O)[C@H](C)C1CC1)NCc1ccc(F)c(C#N)c1 ZINC001398900009 1161143111 /nfs/dbraw/zinc/14/31/11/1161143111.db2.gz ZNLPLSOSMQYWRT-VXGBXAGGSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001399286228 1161320600 /nfs/dbraw/zinc/32/06/00/1161320600.db2.gz RKOTWVLSURVBGM-AWEZNQCLSA-N 0 3 301.862 2.002 20 30 DEEDHN C[C@H](CCNC(=O)C[C@H]1CCCO1)NCc1ccccc1C#N ZINC001399313452 1161339758 /nfs/dbraw/zinc/33/97/58/1161339758.db2.gz HSXQWCFUXPQTHF-RHSMWYFYSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1[nH]nc2ccccc21 ZINC001399413566 1161383650 /nfs/dbraw/zinc/38/36/50/1161383650.db2.gz BTPQHXVDIYFASZ-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN1Cc1cccc2cccnc21 ZINC001399817313 1161574427 /nfs/dbraw/zinc/57/44/27/1161574427.db2.gz BASZUEFVHCEVEW-RHSMWYFYSA-N 0 3 322.412 2.475 20 30 DEEDHN CC(F)(F)C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001399894651 1161601786 /nfs/dbraw/zinc/60/17/86/1161601786.db2.gz OGWOHYXJYMUVCN-CQSZACIVSA-N 0 3 307.344 2.152 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@H]1CC12CC2 ZINC001401239145 1161901149 /nfs/dbraw/zinc/90/11/49/1161901149.db2.gz BXFZNBZAXJXYOW-BXUZGUMPSA-N 0 3 303.431 2.356 20 30 DEEDHN COc1cc(CN(C)CCN(C)C(=O)[C@H](C)C#N)ccc1C ZINC001401360335 1161950175 /nfs/dbraw/zinc/95/01/75/1161950175.db2.gz XLVHLUSOEURQTK-CQSZACIVSA-N 0 3 303.406 2.054 20 30 DEEDHN Cc1ccccc1CN(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001401365001 1161953580 /nfs/dbraw/zinc/95/35/80/1161953580.db2.gz OKGHWGRQJHWCRA-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN CO[C@@H](C)CC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001401841602 1162150828 /nfs/dbraw/zinc/15/08/28/1162150828.db2.gz MWPKKSFVJBYLKR-NHYWBVRUSA-N 0 3 321.446 2.029 20 30 DEEDHN CCCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(OC)c(F)c1 ZINC001404110123 1163455989 /nfs/dbraw/zinc/45/59/89/1163455989.db2.gz KOQRDJLSFVWSKQ-CYBMUJFWSA-N 0 3 321.396 2.322 20 30 DEEDHN CCC(=O)NCC[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC001404460786 1163661177 /nfs/dbraw/zinc/66/11/77/1163661177.db2.gz WOWCDIOWCZYRQL-AWEZNQCLSA-N 0 3 315.417 2.305 20 30 DEEDHN CC[C@H](CNC(=O)C1CCC1)NCc1cc(C#N)ccc1OC ZINC001405189207 1164004228 /nfs/dbraw/zinc/00/42/28/1164004228.db2.gz KPUMUZZSQQZZCF-MRXNPFEDSA-N 0 3 315.417 2.351 20 30 DEEDHN CC[C@@H](CNC(=O)COC(C)C)NCc1ccc(C#N)s1 ZINC001405194900 1164007827 /nfs/dbraw/zinc/00/78/27/1164007827.db2.gz IZUWDZPDAYUTTE-LBPRGKRZSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCc1cncnc1)C1CC1 ZINC001405441956 1164093314 /nfs/dbraw/zinc/09/33/14/1164093314.db2.gz JCVZRHVWYOOOTB-MRXNPFEDSA-N 0 3 322.840 2.036 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cn(C)cn2)CCCC[C@H]1C ZINC001405488152 1164115870 /nfs/dbraw/zinc/11/58/70/1164115870.db2.gz NOGWPSUFEOICPC-WBMJQRKESA-N 0 3 324.856 2.441 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCOCC1)C(C)C ZINC001406011913 1164387337 /nfs/dbraw/zinc/38/73/37/1164387337.db2.gz CMRUWAABXDVVRU-UONOGXRCSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001406346631 1164546048 /nfs/dbraw/zinc/54/60/48/1164546048.db2.gz ODMOZSMKVCSJMB-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)ccn1 ZINC001406542692 1164667096 /nfs/dbraw/zinc/66/70/96/1164667096.db2.gz KUFMLMIWZMRRMF-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@H](C)C2)CCOCC1 ZINC001408047010 1165446305 /nfs/dbraw/zinc/44/63/05/1165446305.db2.gz QCIDKTZJRZMNMY-GXTWGEPZSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(C)(NC/C(Cl)=C/Cl)CC1 ZINC001408089700 1165471071 /nfs/dbraw/zinc/47/10/71/1165471071.db2.gz QEYAOGPNXYHJJG-QBQSQJOESA-N 0 3 304.221 2.436 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](CC(C)C)OC)C1 ZINC001417770367 1167201371 /nfs/dbraw/zinc/20/13/71/1167201371.db2.gz QQQTZBFKGJFAGB-HZSPNIEDSA-N 0 3 302.846 2.284 20 30 DEEDHN CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001418021315 1167366687 /nfs/dbraw/zinc/36/66/87/1167366687.db2.gz ISCOECPRKQBURO-DXTPNHAXSA-N 0 3 320.824 2.423 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001418095889 1167407301 /nfs/dbraw/zinc/40/73/01/1167407301.db2.gz VVQUJQGATKEGNQ-ZNMIVQPWSA-N 0 3 324.856 2.460 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(Cl)n[nH]c1CC ZINC001418401958 1167628559 /nfs/dbraw/zinc/62/85/59/1167628559.db2.gz KXICJWBAIAEKFC-SECBINFHSA-N 0 3 319.236 2.476 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1c[nH]c2ncccc12 ZINC001418441073 1167657614 /nfs/dbraw/zinc/65/76/14/1167657614.db2.gz IZDHCTVOTPLOTF-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN CCCN(CCNC(=O)[C@@H]1CCCO1)Cc1cccc(C#N)c1 ZINC001418695390 1167892471 /nfs/dbraw/zinc/89/24/71/1167892471.db2.gz COLBXBXUQYOGKR-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NCc1cc(F)cc(F)c1 ZINC001419728713 1168823965 /nfs/dbraw/zinc/82/39/65/1168823965.db2.gz WAKLJLUAFCCEMY-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnc2[nH]cnc2c1)C(C)C ZINC001419892597 1168894873 /nfs/dbraw/zinc/89/48/73/1168894873.db2.gz KXNGWAQFRRFCHR-CYBMUJFWSA-N 0 3 321.812 2.054 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001420143959 1169195690 /nfs/dbraw/zinc/19/56/90/1169195690.db2.gz PEFNIAXTMDBNDJ-SNVBAGLBSA-N 0 3 322.796 2.119 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)c1ccccc1 ZINC001420259416 1169290980 /nfs/dbraw/zinc/29/09/80/1169290980.db2.gz CRQZTJHJJHXSAU-CQSZACIVSA-N 0 3 323.396 2.475 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CC(F)(F)F ZINC001420554906 1169784429 /nfs/dbraw/zinc/78/44/29/1169784429.db2.gz VFQQQPZGMSNCEB-LLVKDONJSA-N 0 3 313.323 2.447 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)[C@H]1C[C@@H]1C ZINC001420624376 1169834718 /nfs/dbraw/zinc/83/47/18/1169834718.db2.gz JZKWJEWVJQMZEA-VBQJREDUSA-N 0 3 315.417 2.181 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cnc2n1CCC2)C1CC1 ZINC001421550500 1171843913 /nfs/dbraw/zinc/84/39/13/1171843913.db2.gz AXIWTUIXGVUBGI-INIZCTEOSA-N 0 3 322.840 2.070 20 30 DEEDHN COCCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001422218271 1172403855 /nfs/dbraw/zinc/40/38/55/1172403855.db2.gz BROIRMVYXJSWDH-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001422519254 1172668995 /nfs/dbraw/zinc/66/89/95/1172668995.db2.gz NAYUGTATYVKSDW-CQSZACIVSA-N 0 3 315.889 2.440 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC12CC2 ZINC001422705460 1172820536 /nfs/dbraw/zinc/82/05/36/1172820536.db2.gz NEHVDJKGHLKJBW-FZMZJTMJSA-N 0 3 301.365 2.092 20 30 DEEDHN Cc1ocnc1C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001423029815 1173027536 /nfs/dbraw/zinc/02/75/36/1173027536.db2.gz LFBPKPNYNVJMBU-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(C2CCN(Cc3ccccn3)CC2)CC1 ZINC001423692010 1173494141 /nfs/dbraw/zinc/49/41/41/1173494141.db2.gz HXCMJTNRAWFJQO-CQSZACIVSA-N 0 3 312.417 2.102 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(C#N)s2)no1 ZINC001424740320 1173893702 /nfs/dbraw/zinc/89/37/02/1173893702.db2.gz BGQIBIOAFBGCLH-MNOVXSKESA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@@H](CNC(=O)c1ccsn1)N(C)Cc1cccc(C#N)c1 ZINC001424976372 1174073627 /nfs/dbraw/zinc/07/36/27/1174073627.db2.gz DRLFZVHOMKQLLS-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001425410613 1174308691 /nfs/dbraw/zinc/30/86/91/1174308691.db2.gz HIZFQULIGVCFBF-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN CCc1onc(C)c1CNC[C@H](C1CC1)N(C)C(=O)[C@H](C)C#N ZINC001425477689 1174334110 /nfs/dbraw/zinc/33/41/10/1174334110.db2.gz IWYUIANCIQUBRO-IAQYHMDHSA-N 0 3 318.421 2.032 20 30 DEEDHN C[C@@H](CN(C)C(=O)C1CCC1)NCc1ccc(C#N)c(F)c1 ZINC001425506983 1174342902 /nfs/dbraw/zinc/34/29/02/1174342902.db2.gz CQMAMRBAIHJRQC-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN Cc1noc(C)c1CN1CCC([C@H](C)NC(=O)[C@H](C)C#N)CC1 ZINC001426178415 1174632088 /nfs/dbraw/zinc/63/20/88/1174632088.db2.gz FYYJNFXYUVITFB-NEPJUHHUSA-N 0 3 318.421 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2ccccn2)C1 ZINC001436391675 1179077443 /nfs/dbraw/zinc/07/74/43/1179077443.db2.gz BBSBGHINQYDRJE-CTYIDZIISA-N 0 3 307.825 2.251 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2cccnc2)CC(C)(C)C1 ZINC001436498586 1179152064 /nfs/dbraw/zinc/15/20/64/1179152064.db2.gz JXYXUYWBJZXIRZ-HOCLYGCPSA-N 0 3 314.433 2.348 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)[C@H]2CC23CC3)C2CC2)s1 ZINC001436818658 1179262777 /nfs/dbraw/zinc/26/27/77/1179262777.db2.gz YLUJEOVSLSRHNU-CABCVRRESA-N 0 3 315.442 2.404 20 30 DEEDHN C=C(Cl)CN(CCNC(=O)C(C)(C)c1cnc[nH]1)C1CC1 ZINC001437814506 1180011000 /nfs/dbraw/zinc/01/10/00/1180011000.db2.gz JTVYGEPZUOHSSH-UHFFFAOYSA-N 0 3 310.829 2.020 20 30 DEEDHN C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccccc1[O-] ZINC001439094530 1180881440 /nfs/dbraw/zinc/88/14/40/1180881440.db2.gz GBBHWSXHLYOHFR-LLVKDONJSA-N 0 3 315.398 2.233 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@]1(C)CCCOC1 ZINC001439266342 1180977419 /nfs/dbraw/zinc/97/74/19/1180977419.db2.gz GZFZGJHHKOSKNK-LRDDRELGSA-N 0 3 321.446 2.031 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439299263 1181002194 /nfs/dbraw/zinc/00/21/94/1181002194.db2.gz CZBAWYRXAHYSDH-CHWSQXEVSA-N 0 3 305.447 2.246 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CC3(CC3)C2)CCOCC1 ZINC001440575530 1181598467 /nfs/dbraw/zinc/59/84/67/1181598467.db2.gz QVQIYFXAZBDZEL-UHFFFAOYSA-N 0 3 312.841 2.184 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)CN(C)CCC ZINC001441139023 1181865516 /nfs/dbraw/zinc/86/55/16/1181865516.db2.gz QWILGWWXRJNTEP-OAHLLOKOSA-N 0 3 315.889 2.442 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc2nccn21)C1CC1 ZINC001441219380 1181899807 /nfs/dbraw/zinc/89/98/07/1181899807.db2.gz YPSLPVXOOQZYKM-ZDUSSCGKSA-N 0 3 318.808 2.185 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)c1 ZINC001441474767 1182012747 /nfs/dbraw/zinc/01/27/47/1182012747.db2.gz XJWDTKSOEVHPIA-AOOOYVTPSA-N 0 3 313.188 2.056 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441514518 1182035276 /nfs/dbraw/zinc/03/52/76/1182035276.db2.gz PBKAWWKFOXSYFC-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H](CNC(=O)C1CC2(CC2)C1)NCc1ccc(C#N)s1 ZINC001441947335 1182263982 /nfs/dbraw/zinc/26/39/82/1182263982.db2.gz NLQTXFFABOXJDC-NSHDSACASA-N 0 3 303.431 2.404 20 30 DEEDHN CCO[C@@H](C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001442236957 1182384027 /nfs/dbraw/zinc/38/40/27/1182384027.db2.gz NGZLQMYMOWAELH-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C2CC2)cnn1C ZINC001442266990 1182396366 /nfs/dbraw/zinc/39/63/66/1182396366.db2.gz ZIUKSVRMPVQUPU-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001442274938 1182400431 /nfs/dbraw/zinc/40/04/31/1182400431.db2.gz OGRRMNYMBSSKPO-NFAWXSAZSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@H](C#N)C(=O)NCCN(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001442995331 1182822156 /nfs/dbraw/zinc/82/21/56/1182822156.db2.gz ORFUPHTUUODESD-CYBMUJFWSA-N 0 3 310.401 2.408 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2ncc[nH]2)CCCC[C@H]1C ZINC001444157242 1183303145 /nfs/dbraw/zinc/30/31/45/1183303145.db2.gz QWJLLKCOQUFTDK-MLGOLLRUSA-N 0 3 324.856 2.359 20 30 DEEDHN C[C@H](CNCc1csc(C(C)(C)C)n1)CNC(=O)[C@@H](C)C#N ZINC001444314639 1183343234 /nfs/dbraw/zinc/34/32/34/1183343234.db2.gz ZPSBPXNLHJXWKW-NEPJUHHUSA-N 0 3 322.478 2.442 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001447796591 1184877108 /nfs/dbraw/zinc/87/71/08/1184877108.db2.gz WUMGLVQSUZRLKM-UHFFFAOYSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001447809387 1184879802 /nfs/dbraw/zinc/87/98/02/1184879802.db2.gz YUIJOBWGVJCQHC-AXVKAWJUSA-N 0 3 312.841 2.038 20 30 DEEDHN COCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448062781 1185052751 /nfs/dbraw/zinc/05/27/51/1185052751.db2.gz CTEOKVQSPCHDBR-CQSZACIVSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)COCC(F)F)CCCCC1 ZINC001448222036 1185119964 /nfs/dbraw/zinc/11/99/64/1185119964.db2.gz DNPCCVLPPUSDTI-UHFFFAOYSA-N 0 3 324.799 2.429 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC001448518997 1185271740 /nfs/dbraw/zinc/27/17/40/1185271740.db2.gz LGOSXFVLYOJSLI-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001448602660 1185316854 /nfs/dbraw/zinc/31/68/54/1185316854.db2.gz ZPVSSQGVLXWWSG-NFAWXSAZSA-N 0 3 322.840 2.092 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(OCC#N)cc1 ZINC001448883444 1185446459 /nfs/dbraw/zinc/44/64/59/1185446459.db2.gz NTPWZGFFVQQGJH-UHFFFAOYSA-N 0 3 315.417 2.098 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CC2(C(F)(F)F)CC2)C1 ZINC001331997771 1149805336 /nfs/dbraw/zinc/80/53/36/1149805336.db2.gz RAXVLPRUDFEANM-NWDGAFQWSA-N 0 3 302.340 2.321 20 30 DEEDHN CCCC(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001406738753 1164812451 /nfs/dbraw/zinc/81/24/51/1164812451.db2.gz WJHUWVNRCILOGJ-MRXNPFEDSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCOC2CCOCC2)[C@H]1C ZINC001332207230 1149834792 /nfs/dbraw/zinc/83/47/92/1149834792.db2.gz RMSZGTDXIFCLMU-NVXWUHKLSA-N 0 3 324.465 2.117 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc(C)cn2)CC(C)(C)C1 ZINC001089308234 782457193 /nfs/dbraw/zinc/45/71/93/782457193.db2.gz AICYRJLYAHWWOX-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCc4cccnc43)C2)C1 ZINC001072907774 790298475 /nfs/dbraw/zinc/29/84/75/790298475.db2.gz YBHKDFKRWCRLBR-QGZVFWFLSA-N 0 3 323.440 2.059 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C3(C(F)F)CCCC3)C2)C1 ZINC001072912756 790299581 /nfs/dbraw/zinc/29/95/81/790299581.db2.gz VGTJQBBPWXWBEF-UHFFFAOYSA-N 0 3 310.388 2.370 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)c(F)c3F)C2)C1 ZINC001072926659 790306253 /nfs/dbraw/zinc/30/62/53/790306253.db2.gz SMHDETCZSVRETJ-UHFFFAOYSA-N 0 3 310.319 2.438 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cc(C)ccc3C)C2)C1 ZINC001072945164 790316579 /nfs/dbraw/zinc/31/65/79/790316579.db2.gz VLLPPUPFLGFLSJ-UHFFFAOYSA-N 0 3 310.441 2.404 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC001332559571 1149869274 /nfs/dbraw/zinc/86/92/74/1149869274.db2.gz KFQQATKKLMOWAV-GFCCVEGCSA-N 0 3 320.462 2.345 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H]1CCCc2n[nH]cc21)C(C)C ZINC001332706464 1149882299 /nfs/dbraw/zinc/88/22/99/1149882299.db2.gz DZBZXYYYTFAISM-AWEZNQCLSA-N 0 3 304.438 2.184 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3scnc3CC)C[C@@H]2C1 ZINC001087987494 779616193 /nfs/dbraw/zinc/61/61/93/779616193.db2.gz LWYIVHBKLHVULK-KGLIPLIRSA-N 0 3 317.458 2.123 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CCC(C)(C)CN2CCO)CCC1 ZINC001099225048 782702531 /nfs/dbraw/zinc/70/25/31/782702531.db2.gz NHFDTPSUKLRDFD-HNNXBMFYSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001333376723 1150042469 /nfs/dbraw/zinc/04/24/69/1150042469.db2.gz BOENSUWUQXLNIL-GFCCVEGCSA-N 0 3 320.355 2.136 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106709145 782878208 /nfs/dbraw/zinc/87/82/08/782878208.db2.gz WGGHITWTJXFRLE-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001099290859 783003469 /nfs/dbraw/zinc/00/34/69/783003469.db2.gz BVLPZBNUALPCHW-VQIMIIECSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)[nH]nc2Cl)CC(C)(C)C1 ZINC001089405034 783072358 /nfs/dbraw/zinc/07/23/58/783072358.db2.gz ZWLKNKFAYLKSSX-GFCCVEGCSA-N 0 3 322.840 2.225 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cnccc2C)CC(C)(C)C1 ZINC001089410923 783079043 /nfs/dbraw/zinc/07/90/43/783079043.db2.gz XDRZTVDOOMMOQM-QGZVFWFLSA-N 0 3 313.445 2.173 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2 ZINC001095789321 783099220 /nfs/dbraw/zinc/09/92/20/783099220.db2.gz CNZBHXXCKJOOSK-NRKLIOEPSA-N 0 3 304.434 2.099 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3nccn32)CC(C)(C)C1 ZINC001089441775 783110409 /nfs/dbraw/zinc/11/04/09/783110409.db2.gz KYLWKCPGGXZEDF-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C[C@H]1C ZINC000947357017 783116465 /nfs/dbraw/zinc/11/64/65/783116465.db2.gz QVBSGBFUACCYKY-HUUCEWRRSA-N 0 3 304.438 2.308 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3n2)C[C@H]1C ZINC000947382422 783121678 /nfs/dbraw/zinc/12/16/78/783121678.db2.gz GLNLEGPAMJSCEL-KGLIPLIRSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc3cnccc32)C[C@@H]1C ZINC000947444974 783138166 /nfs/dbraw/zinc/13/81/66/783138166.db2.gz 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C#CCCN1CCCO[C@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001073620598 790747003 /nfs/dbraw/zinc/74/70/03/790747003.db2.gz JBODKOJNXDXETK-OAHLLOKOSA-N 0 3 320.458 2.209 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2n[nH]cc2C)C1 ZINC001088311807 779935797 /nfs/dbraw/zinc/93/57/97/779935797.db2.gz HHIFYZUXBKXTGE-CYBMUJFWSA-N 0 3 310.829 2.445 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2csnn2)C1 ZINC001088354890 780019826 /nfs/dbraw/zinc/01/98/26/780019826.db2.gz IRVAFIGGKVUJMB-NSHDSACASA-N 0 3 314.842 2.265 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1ncc(C)s1 ZINC001168101137 780042215 /nfs/dbraw/zinc/04/22/15/780042215.db2.gz NYNHRKLSGSXOJU-ZFWWWQNUSA-N 0 3 323.462 2.029 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001073636624 790759286 /nfs/dbraw/zinc/75/92/86/790759286.db2.gz BXBRWHROZWXAAL-CQSZACIVSA-N 0 3 324.371 2.362 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001073665522 790777818 /nfs/dbraw/zinc/77/78/18/790777818.db2.gz YCRRDLXENCYATJ-OAHLLOKOSA-N 0 3 306.406 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C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001076482423 781277664 /nfs/dbraw/zinc/27/76/64/781277664.db2.gz JVHHTWXQOLVNSE-SWLSCSKDSA-N 0 3 305.809 2.457 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001077151153 781503285 /nfs/dbraw/zinc/50/32/85/781503285.db2.gz GPIVSHKWHMEWPC-GOEBONIOSA-N 0 3 323.481 2.106 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001073812971 790895597 /nfs/dbraw/zinc/89/55/97/790895597.db2.gz KIJCPQKMUDJOML-YESZJQIVSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001073839351 790909125 /nfs/dbraw/zinc/90/91/25/790909125.db2.gz KTYZUZWTRZGVJC-HNNXBMFYSA-N 0 3 317.433 2.289 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C[C@H]1C ZINC000947800778 783234768 /nfs/dbraw/zinc/23/47/68/783234768.db2.gz JRCMFPWCHAXJIY-ZBFHGGJFSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3nccnc32)C[C@@H]1C ZINC000947858013 783249383 /nfs/dbraw/zinc/24/93/83/783249383.db2.gz WANRJXSHBYIPBN-UONOGXRCSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCC3CCCC3)C[C@@H]2O)C1 ZINC001083761964 783261520 /nfs/dbraw/zinc/26/15/20/783261520.db2.gz AHZGCZUJDDUZLL-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccccc2F)C[C@H]1C ZINC000947989442 783285572 /nfs/dbraw/zinc/28/55/72/783285572.db2.gz KGQPNVUMBYYDCR-GDBMZVCRSA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001089632598 783300318 /nfs/dbraw/zinc/30/03/18/783300318.db2.gz XHTOSAJXLXXORA-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C[C@H]1C ZINC000948105205 783323465 /nfs/dbraw/zinc/32/34/65/783323465.db2.gz SACIDICOAMYLIQ-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2OCC)C[C@H]1C ZINC000948108138 783324957 /nfs/dbraw/zinc/32/49/57/783324957.db2.gz ASOJDNLUCGKXIZ-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001089735140 783399539 /nfs/dbraw/zinc/39/95/39/783399539.db2.gz GEUFYRLRFLFSEU-OAHLLOKOSA-N 0 3 314.433 2.029 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2coc(CC)n2)CC1 ZINC000948320504 783424750 /nfs/dbraw/zinc/42/47/50/783424750.db2.gz XAQDVGNOBHFGLX-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2[O-])C1 ZINC001089776866 783424985 /nfs/dbraw/zinc/42/49/85/783424985.db2.gz HTOCRALCXRJOCY-HJWJTTGWSA-N 0 3 312.413 2.361 20 30 DEEDHN C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2[O-])C1 ZINC001089776866 783424988 /nfs/dbraw/zinc/42/49/88/783424988.db2.gz HTOCRALCXRJOCY-HJWJTTGWSA-N 0 3 312.413 2.361 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1csc(C)c1 ZINC001127608734 783426343 /nfs/dbraw/zinc/42/63/43/783426343.db2.gz DXTOBEPCVVHFIU-CABCVRRESA-N 0 3 308.447 2.244 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001073890893 790942176 /nfs/dbraw/zinc/94/21/76/790942176.db2.gz JICZDVMYFXIGPH-MRXNPFEDSA-N 0 3 319.449 2.466 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001212320830 783449114 /nfs/dbraw/zinc/44/91/14/783449114.db2.gz CQBANEVSMVYQFB-FVQBIDKESA-N 0 3 312.429 2.318 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000948553108 783498611 /nfs/dbraw/zinc/49/86/11/783498611.db2.gz DUPVLGCSTLZAKM-OAHLLOKOSA-N 0 3 310.401 2.123 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2ccc(F)cn2)CC1 ZINC000948552728 783498968 /nfs/dbraw/zinc/49/89/68/783498968.db2.gz APLBBYYGZLDURQ-KRWDZBQOSA-N 0 3 317.408 2.099 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cccn3nccc23)CC1 ZINC000948587419 783513966 /nfs/dbraw/zinc/51/39/66/783513966.db2.gz ZNNGBQUGQIZEPW-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000948612526 783529165 /nfs/dbraw/zinc/52/91/65/783529165.db2.gz OYRMHXXYMMXXDS-KRWDZBQOSA-N 0 3 324.428 2.052 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000948616952 783530709 /nfs/dbraw/zinc/53/07/09/783530709.db2.gz LMSJQDOIXNVZGU-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC000966385422 783649992 /nfs/dbraw/zinc/64/99/92/783649992.db2.gz JCFNKRLSXIBAND-BXUZGUMPSA-N 0 3 309.360 2.376 20 30 DEEDHN CC(C)SCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154802376 783654846 /nfs/dbraw/zinc/65/48/46/783654846.db2.gz DTXPVBZIFBYWFT-UHFFFAOYSA-N 0 3 323.437 2.435 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000966632469 783715888 /nfs/dbraw/zinc/71/58/88/783715888.db2.gz KSXXWFYGQNGUNI-SUMWQHHRSA-N 0 3 317.433 2.104 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966725180 783741695 /nfs/dbraw/zinc/74/16/95/783741695.db2.gz SJCIRKWUIREXLB-MLGOLLRUSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966878192 783791582 /nfs/dbraw/zinc/79/15/82/783791582.db2.gz BBKRDTFUXYRANO-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC000966917615 783820788 /nfs/dbraw/zinc/82/07/88/783820788.db2.gz VCDSQYGQSQXACU-BLLLJJGKSA-N 0 3 319.474 2.152 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001085597026 783870394 /nfs/dbraw/zinc/87/03/94/783870394.db2.gz OOKCNZRXLDMPKP-CABCVRRESA-N 0 3 316.449 2.329 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CC(NCc3ccccn3)C2)cc1 ZINC001091176968 790979759 /nfs/dbraw/zinc/97/97/59/790979759.db2.gz XGPSAJAHYHYLFE-UHFFFAOYSA-N 0 3 319.408 2.361 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085617406 783890543 /nfs/dbraw/zinc/89/05/43/783890543.db2.gz MNQGDCAMQNOWJN-GFCCVEGCSA-N 0 3 312.364 2.391 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3nccn32)C1 ZINC000967358587 783963901 /nfs/dbraw/zinc/96/39/01/783963901.db2.gz SMHUNSHKZLJJEY-CABCVRRESA-N 0 3 312.417 2.351 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1CCC ZINC001085694012 783980087 /nfs/dbraw/zinc/98/00/87/783980087.db2.gz VJWBROHOHNHTEJ-CQSZACIVSA-N 0 3 304.438 2.095 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC000967423897 783994877 /nfs/dbraw/zinc/99/48/77/783994877.db2.gz LOKWOKBCJPQRCN-RDJZCZTQSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001085724063 784019266 /nfs/dbraw/zinc/01/92/66/784019266.db2.gz MNXMZQSLMWWBRG-LLVKDONJSA-N 0 3 312.364 2.080 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2occ3c2CCOC3)C1 ZINC000967462434 784019837 /nfs/dbraw/zinc/01/98/37/784019837.db2.gz FOYNKEZJQOTIQO-CJNGLKHVSA-N 0 3 318.417 2.369 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001085731220 784020786 /nfs/dbraw/zinc/02/07/86/784020786.db2.gz URUAKNYXIMICQG-VVLHAWIVSA-N 0 3 306.450 2.300 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3=COCCC3)C2)s1 ZINC000967708828 784098788 /nfs/dbraw/zinc/09/87/88/784098788.db2.gz QXUXOAYGHWVSFR-CYBMUJFWSA-N 0 3 317.414 2.005 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085873054 784160816 /nfs/dbraw/zinc/16/08/16/784160816.db2.gz 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784230286 /nfs/dbraw/zinc/23/02/86/784230286.db2.gz YFCQNCZZMFUVTP-BDVYOWHSSA-N 0 3 311.429 2.255 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(CC=C(C)C)CC[C@H]2C)c1 ZINC000968316404 784282154 /nfs/dbraw/zinc/28/21/54/784282154.db2.gz FEXDXVZZEXTGLD-CRAIPNDOSA-N 0 3 311.429 2.469 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccnc2C)C1 ZINC000968327318 784291137 /nfs/dbraw/zinc/29/11/37/784291137.db2.gz LWEYSKVOBRKNLP-PBHICJAKSA-N 0 3 301.434 2.335 20 30 DEEDHN C/C=C(\C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC000968363124 784324599 /nfs/dbraw/zinc/32/45/99/784324599.db2.gz FCDRWFLOYMHSOX-JILDMTJUSA-N 0 3 313.401 2.224 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968364896 784326050 /nfs/dbraw/zinc/32/60/50/784326050.db2.gz LBRBRTKPHZWPCN-YOEHRIQHSA-N 0 3 314.429 2.467 20 30 DEEDHN CC1CC(C(=O)N2CC[C@@H](NCc3ccc(F)c(C#N)c3)C2)C1 ZINC000968376238 784339068 /nfs/dbraw/zinc/33/90/68/784339068.db2.gz NBWOWFOBMWADHN-LDZOIKDWSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC000968472670 784407228 /nfs/dbraw/zinc/40/72/28/784407228.db2.gz WDUDXYDJOCOWHC-RHSMWYFYSA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC000968480464 784409848 /nfs/dbraw/zinc/40/98/48/784409848.db2.gz MGRQGKIRXYUPDA-BBRMVZONSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cncc(COC)c2)C1 ZINC001086109892 784413614 /nfs/dbraw/zinc/41/36/14/784413614.db2.gz KIDWORPZOKKSQA-JNSHFYNHSA-N 0 3 323.824 2.079 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC000968505821 784432416 /nfs/dbraw/zinc/43/24/16/784432416.db2.gz QXKVKVUHOOKBRO-WMLDXEAASA-N 0 3 324.428 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001086143187 784438192 /nfs/dbraw/zinc/43/81/92/784438192.db2.gz CFRXNOAFQIASSS-BETUJISGSA-N 0 3 324.808 2.107 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968602621 784495508 /nfs/dbraw/zinc/49/55/08/784495508.db2.gz 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/nfs/dbraw/zinc/62/08/06/784620806.db2.gz UPYRCZRUMHNJDT-LSDHHAIUSA-N 0 3 316.449 2.376 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC000968869313 784629163 /nfs/dbraw/zinc/62/91/63/784629163.db2.gz MGBVCENYZHRXAV-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968887278 784637400 /nfs/dbraw/zinc/63/74/00/784637400.db2.gz ADHWJNFXCKFTIZ-HZPDHXFCSA-N 0 3 316.449 2.307 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000968962801 784671042 /nfs/dbraw/zinc/67/10/42/784671042.db2.gz PLPBAIMERKSOSF-BBWFWOEESA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC000969025728 784695555 /nfs/dbraw/zinc/69/55/55/784695555.db2.gz SXBGUALHTZETGB-AEFFLSMTSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC000969093020 784722677 /nfs/dbraw/zinc/72/26/77/784722677.db2.gz CEJRIOWYAZHAKQ-HNNXBMFYSA-N 0 3 319.453 2.239 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001086463384 784754231 /nfs/dbraw/zinc/75/42/31/784754231.db2.gz GDZZNQLRWAGPMN-NZFPVTAUSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)co2)[C@H](OC)C1 ZINC001213297947 784913485 /nfs/dbraw/zinc/91/34/85/784913485.db2.gz YUFOGACXNCTFMB-SQWLQELKSA-N 0 3 306.406 2.372 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001007518231 784942750 /nfs/dbraw/zinc/94/27/50/784942750.db2.gz UCCCRGIWRBPTGO-MRXNPFEDSA-N 0 3 312.417 2.034 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108412148 784966130 /nfs/dbraw/zinc/96/61/30/784966130.db2.gz BFEPUNWQVGHAKV-MAUKXSAKSA-N 0 3 319.449 2.119 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)Cc2ccc[nH]2)C1 ZINC001108412151 784966779 /nfs/dbraw/zinc/96/67/79/784966779.db2.gz BFEPUNWQVGHAKV-QAPCUYQASA-N 0 3 319.449 2.119 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001007660332 784972393 /nfs/dbraw/zinc/97/23/93/784972393.db2.gz DATSKCVSCDWFNE-OAHLLOKOSA-N 0 3 312.417 2.034 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001007913377 785045786 /nfs/dbraw/zinc/04/57/86/785045786.db2.gz HHBLYUABEUWLTA-LJQANCHMSA-N 0 3 321.424 2.381 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001008172512 785126774 /nfs/dbraw/zinc/12/67/74/785126774.db2.gz VVKHCMXUYOGNSA-KBPBESRZSA-N 0 3 319.405 2.296 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCO[C@H](CCC)C1 ZINC001169337972 785150042 /nfs/dbraw/zinc/15/00/42/785150042.db2.gz ZURJGVPECBIUMP-UONOGXRCSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001008279173 785159704 /nfs/dbraw/zinc/15/97/04/785159704.db2.gz QQYIFNUIKUOTHA-IAGOWNOFSA-N 0 3 311.429 2.105 20 30 DEEDHN CC(=O)N1CC[C@H](N2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001169563492 785244207 /nfs/dbraw/zinc/24/42/07/785244207.db2.gz OQDRRMPXVJJUNI-WMZOPIPTSA-N 0 3 313.401 2.022 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC001008598476 785248605 /nfs/dbraw/zinc/24/86/05/785248605.db2.gz 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/nfs/dbraw/zinc/14/02/79/791140279.db2.gz ZLRSFIKCEKXIDK-SSDMNJCBSA-N 0 3 320.820 2.400 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1ccnc1CC)C2 ZINC001109307287 785796734 /nfs/dbraw/zinc/79/67/34/785796734.db2.gz DGAWZAMCEFVWOV-FZKCQIBNSA-N 0 3 316.449 2.304 20 30 DEEDHN CCCN(C)CC(=O)N(C)CCCNc1cccc(F)c1C#N ZINC001109496301 785899562 /nfs/dbraw/zinc/89/95/62/785899562.db2.gz NFJXHLLEGBTNNI-UHFFFAOYSA-N 0 3 320.412 2.300 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001086538588 786158566 /nfs/dbraw/zinc/15/85/66/786158566.db2.gz LSFJZWZXLGWSBV-KYZUINATSA-N 0 3 304.177 2.179 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112814424 786234767 /nfs/dbraw/zinc/23/47/67/786234767.db2.gz POHXJLHWFZCOMV-GOSISDBHSA-N 0 3 308.466 2.428 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ncccc2OCC)C1 ZINC001086566386 786306411 /nfs/dbraw/zinc/30/64/11/786306411.db2.gz LRQOQKXULPFKBH-JOCQHMNTSA-N 0 3 323.824 2.331 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC(=C)C)C[C@H]2O)CCCC1 ZINC001100145595 786373779 /nfs/dbraw/zinc/37/37/79/786373779.db2.gz NFXXJLCBCORWRY-JKSUJKDBSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC001113059983 786388734 /nfs/dbraw/zinc/38/87/34/786388734.db2.gz KSHQAXXGPGXTIP-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113068659 786390989 /nfs/dbraw/zinc/39/09/89/786390989.db2.gz XGUQQVIDMQYHEB-STQMWFEESA-N 0 3 320.412 2.343 20 30 DEEDHN C=CCCCN1CCN(C(=O)c2occc2CN(C)C)CC1 ZINC001113263449 786488964 /nfs/dbraw/zinc/48/89/64/786488964.db2.gz XMOOVMFVOYXMJI-UHFFFAOYSA-N 0 3 305.422 2.065 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001086586456 786511023 /nfs/dbraw/zinc/51/10/23/786511023.db2.gz VIEUUTGDLKIVGK-ARFHVFGLSA-N 0 3 318.367 2.249 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC001113387607 786556821 /nfs/dbraw/zinc/55/68/21/786556821.db2.gz IDNZQIJKSCPTQA-CYBMUJFWSA-N 0 3 310.829 2.035 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2c(F)ccc3ccncc32)C1 ZINC001014506852 786610138 /nfs/dbraw/zinc/61/01/38/786610138.db2.gz VHHNYYQNSUUWOO-CQSZACIVSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCn2cccn2)CC1 ZINC001113649635 786745577 /nfs/dbraw/zinc/74/55/77/786745577.db2.gz GUCJDLKSGTWPIL-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001015111953 786900029 /nfs/dbraw/zinc/90/00/29/786900029.db2.gz NYUMTHBMOHPXTJ-HNNXBMFYSA-N 0 3 300.402 2.139 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001015137572 786910374 /nfs/dbraw/zinc/91/03/74/786910374.db2.gz NSCLTGAJCNLPQP-KRWDZBQOSA-N 0 3 307.397 2.305 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001015168045 786924177 /nfs/dbraw/zinc/92/41/77/786924177.db2.gz SOWSOFOKJSTDRP-KRWDZBQOSA-N 0 3 309.413 2.164 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001015233035 786951327 /nfs/dbraw/zinc/95/13/27/786951327.db2.gz JYFNPTFMHCVQPW-HNNXBMFYSA-N 0 3 312.413 2.184 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015314122 786996635 /nfs/dbraw/zinc/99/66/35/786996635.db2.gz QKIXEWAROSCWIU-OAHLLOKOSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(C)ccnc2OCC)C1 ZINC001015383637 787025796 /nfs/dbraw/zinc/02/57/96/787025796.db2.gz WMDZOEKUMAUDNI-AWEZNQCLSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(COC)cc3)C[C@H]21 ZINC001114003702 787041026 /nfs/dbraw/zinc/04/10/26/787041026.db2.gz CMAGPTWIICDAFT-DZFIZOCASA-N 0 3 314.429 2.346 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCc3csc(C)n3)C[C@H]21 ZINC001114021853 787054370 /nfs/dbraw/zinc/05/43/70/787054370.db2.gz QAMKWKPWQZKQDT-FOLVSLTJSA-N 0 3 305.447 2.007 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001170454228 787226954 /nfs/dbraw/zinc/22/69/54/787226954.db2.gz WOYARTSZTASAEA-GUYCJALGSA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CCCC)C[C@H]1c1cn(C)cn1 ZINC001130578656 787439264 /nfs/dbraw/zinc/43/92/64/787439264.db2.gz XSBGVZWDXSOJOY-HLLBOEOZSA-N 0 3 318.465 2.316 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(F)c1F)C2 ZINC001096075255 787491640 /nfs/dbraw/zinc/49/16/40/787491640.db2.gz SAMOCZRFPQVQOE-KBMXLJTQSA-N 0 3 318.367 2.252 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1c(C)noc1C)C2 ZINC001096172556 787557180 /nfs/dbraw/zinc/55/71/80/787557180.db2.gz YYJAXVKKVQOUSY-FWYOQMDTSA-N 0 3 315.417 2.140 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001096176449 787560310 /nfs/dbraw/zinc/56/03/10/787560310.db2.gz YAFHFHYEEADNLY-NBMRYCAZSA-N 0 3 324.424 2.368 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccn3ccccc23)c1 ZINC001131173221 787564835 /nfs/dbraw/zinc/56/48/35/787564835.db2.gz CEZSLVOGOSXXCE-UHFFFAOYSA-N 0 3 318.380 2.331 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)COCCCC)C[C@@H](C)O2 ZINC001131642887 787670264 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C=CCN1C[C@@H](NC(=O)CCc2ccc(OC)nc2)CC[C@@H]1C ZINC001132173430 787951135 /nfs/dbraw/zinc/95/11/35/787951135.db2.gz LYOSCZPWRIMWDT-HOCLYGCPSA-N 0 3 317.433 2.178 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2sc(C)nc2C)cc1 ZINC001132215937 787975264 /nfs/dbraw/zinc/97/52/64/787975264.db2.gz SFAICKJBIRIEKA-UHFFFAOYSA-N 0 3 313.426 2.261 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001097095819 787977266 /nfs/dbraw/zinc/97/72/66/787977266.db2.gz FFHWADHAIOWEJG-SUJAAXHWSA-N 0 3 310.413 2.049 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CCc2cnn(C)c2)C1 ZINC001132255994 788000444 /nfs/dbraw/zinc/00/04/44/788000444.db2.gz IJGFDHQCWNFISU-RDJZCZTQSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2nc(C3CC3)no2)CC[C@H]1C ZINC001132340666 788037797 /nfs/dbraw/zinc/03/77/97/788037797.db2.gz WYKWSPAZWMGJHS-OCCSQVGLSA-N 0 3 318.421 2.035 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)ncn1)C2 ZINC001097330436 788061854 /nfs/dbraw/zinc/06/18/54/788061854.db2.gz XMUHPNUORYNSCA-GYSYKLTISA-N 0 3 322.359 2.325 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(=O)NCCC)CC[C@@H]1C ZINC001132429460 788068144 /nfs/dbraw/zinc/06/81/44/788068144.db2.gz MJFBHOBDSOOFPZ-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2cccnc2)CC[C@H]1C ZINC001132447903 788082862 /nfs/dbraw/zinc/08/28/62/788082862.db2.gz CCQGUEDNRNVVCA-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(COC)o1)C2 ZINC001097490958 788117633 /nfs/dbraw/zinc/11/76/33/788117633.db2.gz OBIOXIIXLUKQJX-YUELXQCFSA-N 0 3 304.390 2.337 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CN(C)c2ccccc2)CC[C@H]1C ZINC001132543053 788118990 /nfs/dbraw/zinc/11/89/90/788118990.db2.gz USBHSMOXDUMUQU-IAGOWNOFSA-N 0 3 313.445 2.115 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132568621 788133272 /nfs/dbraw/zinc/13/32/72/788133272.db2.gz AWXHUNSMRPKYDU-CHWSQXEVSA-N 0 3 303.381 2.361 20 30 DEEDHN C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132658859 788153294 /nfs/dbraw/zinc/15/32/94/788153294.db2.gz LYZYTKUFEGAOIW-LSDHHAIUSA-N 0 3 300.402 2.103 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)cc1 ZINC001097626446 788153706 /nfs/dbraw/zinc/15/37/06/788153706.db2.gz GSJXFCUFBWNLFJ-PILAGYSTSA-N 0 3 312.413 2.038 20 30 DEEDHN C=C1CCC(C(=O)NCCN[C@@H](C)C(=O)NC(CC)CC)CC1 ZINC001133375801 788388126 /nfs/dbraw/zinc/38/81/26/788388126.db2.gz JFCFEOALLCLWBR-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001133383744 788395550 /nfs/dbraw/zinc/39/55/50/788395550.db2.gz XLSGPIUTTSNGFL-MAUKXSAKSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)OCC ZINC001133385510 788396335 /nfs/dbraw/zinc/39/63/35/788396335.db2.gz OAVJLTVWFCBTAG-AWEZNQCLSA-N 0 3 322.836 2.316 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@]23C[C@H]2CCCC3)s1 ZINC001133548069 788481103 /nfs/dbraw/zinc/48/11/03/788481103.db2.gz WKHFEHHSOIYPBH-MLGOLLRUSA-N 0 3 303.431 2.406 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2CC3(CC3)C2)ccc1F ZINC001133646434 788537663 /nfs/dbraw/zinc/53/76/63/788537663.db2.gz KPIWCSNBULMBLM-UHFFFAOYSA-N 0 3 301.365 2.093 20 30 DEEDHN CC(C)OCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133858225 788641977 /nfs/dbraw/zinc/64/19/77/788641977.db2.gz SECMTGPFWNPYHJ-CABCVRRESA-N 0 3 317.433 2.356 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CCOCC ZINC001133900371 788670444 /nfs/dbraw/zinc/67/04/44/788670444.db2.gz IALOPJLFYRYDHN-NWDGAFQWSA-N 0 3 321.259 2.195 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)C(C)(F)F ZINC001133968110 788697115 /nfs/dbraw/zinc/69/71/15/788697115.db2.gz NYVCGQOCWOMIBL-JTQLQIEISA-N 0 3 313.323 2.194 20 30 DEEDHN Cc1cnc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001134329336 788875506 /nfs/dbraw/zinc/87/55/06/788875506.db2.gz MUPAJTXNPWAMHG-KBPBESRZSA-N 0 3 316.449 2.207 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001134428424 788915965 /nfs/dbraw/zinc/91/59/65/788915965.db2.gz MJHYTALGCJRXPV-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001134448206 788926195 /nfs/dbraw/zinc/92/61/95/788926195.db2.gz LSAKMRYEJTYBNN-WDEREUQCSA-N 0 3 314.227 2.410 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1nccn1C ZINC001134449598 788927618 /nfs/dbraw/zinc/92/76/18/788927618.db2.gz VOCHPLNTBIJZHM-ZIAGYGMSSA-N 0 3 306.454 2.395 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)c1cccnc1 ZINC001134730562 789052680 /nfs/dbraw/zinc/05/26/80/789052680.db2.gz AERZHZODTCKNAP-HNNXBMFYSA-N 0 3 322.412 2.353 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1cccc(C#N)c1)c1cccnc1 ZINC001134730563 789052900 /nfs/dbraw/zinc/05/29/00/789052900.db2.gz AERZHZODTCKNAP-OAHLLOKOSA-N 0 3 322.412 2.353 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001135236767 789254547 /nfs/dbraw/zinc/25/45/47/789254547.db2.gz WJPNMEMXPQRCHF-ZIAGYGMSSA-N 0 3 306.454 2.488 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001135235778 789255024 /nfs/dbraw/zinc/25/50/24/789255024.db2.gz MYHXMCDRTGYRFX-GXTWGEPZSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2cc(OC)no2)C1 ZINC001135427371 789335142 /nfs/dbraw/zinc/33/51/42/789335142.db2.gz QGMXYYQYVQIYJX-OLZOCXBDSA-N 0 3 321.421 2.412 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2ccn(C)n2)C1 ZINC001135422195 789346500 /nfs/dbraw/zinc/34/65/00/789346500.db2.gz GAUVYSAJAZPGFU-UONOGXRCSA-N 0 3 304.438 2.149 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(CC)CC)C[C@@H](C)O2 ZINC001071136969 789551017 /nfs/dbraw/zinc/55/10/17/789551017.db2.gz SIQRCBHJWBHNRU-CRAIPNDOSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC1CCC1)C[C@@H](C)O2 ZINC001071151427 789560545 /nfs/dbraw/zinc/56/05/45/789560545.db2.gz HXJAZADPVPGOEY-VQIMIIECSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)/C=C\C1CC1)C[C@H](C)O2 ZINC001071152455 789561254 /nfs/dbraw/zinc/56/12/54/789561254.db2.gz XYUBMMURSWMUMA-UHCGQYCJSA-N 0 3 304.434 2.221 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C1CC1)C[C@@H](C)O2 ZINC001071201751 789589291 /nfs/dbraw/zinc/58/92/91/789589291.db2.gz KIVHMBSCAOMYCY-BEFAXECRSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(C)(F)F)C[C@@H](C)O2 ZINC001071210254 789594413 /nfs/dbraw/zinc/59/44/13/789594413.db2.gz XJMJJLHRRCUTIL-CZUORRHYSA-N 0 3 316.392 2.300 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071390533 789700433 /nfs/dbraw/zinc/70/04/33/789700433.db2.gz BSRDFQYQHFFNEG-ZWNOBZJWSA-N 0 3 310.829 2.362 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cncc3[nH]cnc32)CC[C@@H]1C ZINC001071527402 789761804 /nfs/dbraw/zinc/76/18/04/789761804.db2.gz CLYHVNYCUFJFPW-STQMWFEESA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cc(C)ccn32)CC[C@H]1C ZINC001071533330 789764439 /nfs/dbraw/zinc/76/44/39/789764439.db2.gz FXHMXYWJJHBVEF-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)CC[C@H]1C ZINC001071545760 789770593 /nfs/dbraw/zinc/77/05/93/789770593.db2.gz DUBKUPLYGCEADJ-HIFRSBDPSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(F)F)ncn2)CC[C@H]1C ZINC001071610526 789814324 /nfs/dbraw/zinc/81/43/24/789814324.db2.gz UPIKWFFFNVCGAY-VXGBXAGGSA-N 0 3 322.359 2.020 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)CC[C@@H]1C ZINC001071622717 789820656 /nfs/dbraw/zinc/82/06/56/789820656.db2.gz MMSPGNFAWJBWRE-HOCLYGCPSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@H]1C ZINC001071641885 789835578 /nfs/dbraw/zinc/83/55/78/789835578.db2.gz HGSFPNTZAWPMRR-HUUCEWRRSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3nccn32)CC[C@@H]1C ZINC001071680978 789862617 /nfs/dbraw/zinc/86/26/17/789862617.db2.gz XSIDVLHPYKFRLS-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cn3ccnc23)CC[C@H]1C ZINC001071695539 789871468 /nfs/dbraw/zinc/87/14/68/789871468.db2.gz RBHGXTXIVZWWQZ-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)CC[C@H]1C ZINC001071715968 789883120 /nfs/dbraw/zinc/88/31/20/789883120.db2.gz NBUPSWUILRSPMQ-CJNGLKHVSA-N 0 3 318.465 2.125 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3c[nH]nc32)CC[C@H]1C ZINC001071731537 789893482 /nfs/dbraw/zinc/89/34/82/789893482.db2.gz GBZJOBGKROFHIR-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(C)c2CC)CC[C@H]1C ZINC001071827815 789933565 /nfs/dbraw/zinc/93/35/65/789933565.db2.gz DQMMXFUUKYKQBQ-CABCVRRESA-N 0 3 301.434 2.194 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nccc3[nH]ccc32)CC[C@H]1C ZINC001071831872 789934158 /nfs/dbraw/zinc/93/41/58/789934158.db2.gz OAXVHBHWAXGGMI-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@@H]1C ZINC001071836830 789936695 /nfs/dbraw/zinc/93/66/95/789936695.db2.gz XOLWDWFYEQSVPB-UONOGXRCSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccncc2Cl)CC[C@@H]1C ZINC001071844934 789940373 /nfs/dbraw/zinc/94/03/73/789940373.db2.gz VGTYDWXERZHIJZ-STQMWFEESA-N 0 3 305.809 2.341 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3cccnn32)CC[C@H]1C ZINC001071876437 789954374 /nfs/dbraw/zinc/95/43/74/789954374.db2.gz NBIJFSKOKANPIM-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(CC)oc2C)CC[C@H]1C ZINC001071886266 789959191 /nfs/dbraw/zinc/95/91/91/789959191.db2.gz AKMZXZZIMHGPQZ-TZMCWYRMSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3[nH]cnc32)CC[C@H]1C ZINC001071924366 789975145 /nfs/dbraw/zinc/97/51/45/789975145.db2.gz VVOOZZAXHLEZDQ-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(CC3CC3)c2)CC[C@@H]1C ZINC001071966083 789991761 /nfs/dbraw/zinc/99/17/61/789991761.db2.gz BIKJRCBAFYJPSW-WMLDXEAASA-N 0 3 316.449 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3nccn3c2)CC[C@@H]1C ZINC001071982225 789997302 /nfs/dbraw/zinc/99/73/02/789997302.db2.gz LZTZDNHMQKROBG-HOCLYGCPSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cn3ccccc3n2)CC[C@@H]1C ZINC001072050460 790033494 /nfs/dbraw/zinc/03/34/94/790033494.db2.gz XWHRZPUVOZESOD-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cc(C(N)=O)cs2)CC[C@H]1C ZINC001072099608 790052066 /nfs/dbraw/zinc/05/20/66/790052066.db2.gz UBORDYLEOIBHPQ-DGCLKSJQSA-N 0 3 321.446 2.006 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2csc(CC)n2)CC[C@H]1C ZINC001072099587 790052278 /nfs/dbraw/zinc/05/22/78/790052278.db2.gz TTWIFVDVGIUGTM-CHWSQXEVSA-N 0 3 307.463 2.403 20 30 DEEDHN CC(C)(F)C(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001072382373 790128714 /nfs/dbraw/zinc/12/87/14/790128714.db2.gz JJAQYMXXXWUYFP-UHFFFAOYSA-N 0 3 315.392 2.341 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@]2(C)C1 ZINC001091433623 791170021 /nfs/dbraw/zinc/17/00/21/791170021.db2.gz SHRUPAVRWJZDRA-QAPCUYQASA-N 0 3 300.377 2.243 20 30 DEEDHN C[C@H]1CN(C(=O)C(F)F)CC[C@H]1CNCc1ccccc1C#N ZINC001075184141 791502393 /nfs/dbraw/zinc/50/23/93/791502393.db2.gz XOVLSSSDOQETHI-JSGCOSHPSA-N 0 3 321.371 2.398 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2ccn(C)n2)[C@@H](C)C1 ZINC001075312381 791577845 /nfs/dbraw/zinc/57/78/45/791577845.db2.gz IXKMFDLQZNOKQQ-GJZGRUSLSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCC[C@H](C)NCc1cn([C@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098599358 791659984 /nfs/dbraw/zinc/65/99/84/791659984.db2.gz ZTCMRSLQQIXGPJ-HOCLYGCPSA-N 0 3 319.453 2.296 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)s1)c1cccnc1 ZINC001148242459 791724962 /nfs/dbraw/zinc/72/49/62/791724962.db2.gz HUTQBVLBKAXGRO-LBPRGKRZSA-N 0 3 314.414 2.024 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3)C[C@]2(C)C1 ZINC001091736793 791782287 /nfs/dbraw/zinc/78/22/87/791782287.db2.gz CRQWSWRSRLKMFH-APWZRJJASA-N 0 3 311.429 2.232 20 30 DEEDHN CCCCCCCCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001148821234 791808030 /nfs/dbraw/zinc/80/80/30/791808030.db2.gz YPBJRJHOCVVTFK-HNNXBMFYSA-N 0 3 311.470 2.112 20 30 DEEDHN CCCCCCOCC(=O)NCCNCc1cccc(C#N)c1 ZINC001149026964 791829491 /nfs/dbraw/zinc/82/94/91/791829491.db2.gz VGQYJHKPHOQOPH-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001086916428 791854717 /nfs/dbraw/zinc/85/47/17/791854717.db2.gz JDUUWCWLHXNONQ-OAHLLOKOSA-N 0 3 324.428 2.226 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cnco3)C2)CC1 ZINC001086934875 791854878 /nfs/dbraw/zinc/85/48/78/791854878.db2.gz CUTPSKOWPQEVOW-CQSZACIVSA-N 0 3 301.390 2.015 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3conc3CC)C2)CC1 ZINC001086941375 791856974 /nfs/dbraw/zinc/85/69/74/791856974.db2.gz RWWRDKYODLAUSV-AWEZNQCLSA-N 0 3 315.417 2.187 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@]2(C)C1 ZINC001091931397 791898717 /nfs/dbraw/zinc/89/87/17/791898717.db2.gz WOSBIIGOTGADSL-AEFFLSMTSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)C[C@]2(C)C1 ZINC001091939660 791909052 /nfs/dbraw/zinc/90/90/52/791909052.db2.gz BKOLHFUOQYXATQ-NBQZKYEYSA-N 0 3 324.424 2.210 20 30 DEEDHN CC(C)OCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001098981926 792013553 /nfs/dbraw/zinc/01/35/53/792013553.db2.gz HUQCSYNJRYLPDK-CABCVRRESA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)C1CC1 ZINC001092414864 792031055 /nfs/dbraw/zinc/03/10/55/792031055.db2.gz OPMUZZFMSILHQT-MLGOLLRUSA-N 0 3 315.392 2.291 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cc(C)[nH]n1 ZINC001099017082 792039208 /nfs/dbraw/zinc/03/92/08/792039208.db2.gz OOOHMJVVUJJAOR-OAHLLOKOSA-N 0 3 304.438 2.053 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC001099017082 792039219 /nfs/dbraw/zinc/03/92/19/792039219.db2.gz OOOHMJVVUJJAOR-OAHLLOKOSA-N 0 3 304.438 2.053 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@](C)(O)C1CC1 ZINC001099023715 792042379 /nfs/dbraw/zinc/04/23/79/792042379.db2.gz RJYQUHGALWRYDB-YJBOKZPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001099058869 792068244 /nfs/dbraw/zinc/06/82/44/792068244.db2.gz OSXOQJAJNUSJJJ-YJBOKZPZSA-N 0 3 316.449 2.163 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001099116303 792102480 /nfs/dbraw/zinc/10/24/80/792102480.db2.gz PTBWPNCXRQDPTD-OAHLLOKOSA-N 0 3 318.465 2.307 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(=O)NCCC ZINC001099316678 792168831 /nfs/dbraw/zinc/16/88/31/792168831.db2.gz ZLFXLPNBJNWQTA-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1C(F)(F)F ZINC001099334250 792174092 /nfs/dbraw/zinc/17/40/92/792174092.db2.gz MULSDJIHVWIEEF-HTQZYQBOSA-N 0 3 323.702 2.107 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@@H](F)CC)C[C@H]2C)cn1 ZINC001093142935 792250874 /nfs/dbraw/zinc/25/08/74/792250874.db2.gz JWEGURIEQXZRKV-BMFZPTHFSA-N 0 3 317.408 2.109 20 30 DEEDHN CCN1C[C@H](NC(=O)C#CC(C)(C)C)CC2(CCOCC2)C1 ZINC001099581426 792251064 /nfs/dbraw/zinc/25/10/64/792251064.db2.gz SXRIOZRWKAHGAT-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C[C@H]1O ZINC001099725218 792329799 /nfs/dbraw/zinc/32/97/99/792329799.db2.gz UNOFFZBGEBNDKR-IAGOWNOFSA-N 0 3 302.418 2.013 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001093377617 792349325 /nfs/dbraw/zinc/34/93/25/792349325.db2.gz VKTFAEALJOGAOM-BHYGNILZSA-N 0 3 300.446 2.369 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001100020584 792447439 /nfs/dbraw/zinc/44/74/39/792447439.db2.gz PSBHJLOAXAUBNK-SJORKVTESA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCc2oc(C)nc2C)C1 ZINC001100283454 792564587 /nfs/dbraw/zinc/56/45/87/792564587.db2.gz LVASQOGFDFBGLK-UHFFFAOYSA-N 0 3 303.406 2.079 20 30 DEEDHN O=C(C#CC1CC1)NCC1CC(NCc2cccc(Cl)n2)C1 ZINC001100314025 792584865 /nfs/dbraw/zinc/58/48/65/792584865.db2.gz ZQKBWYRYJQJJJS-UHFFFAOYSA-N 0 3 317.820 2.133 20 30 DEEDHN O=C(C#CC1CC1)NCC1CC(NCc2ccccc2F)C1 ZINC001100313772 792584930 /nfs/dbraw/zinc/58/49/30/792584930.db2.gz NSPSQWPBJYUSFS-UHFFFAOYSA-N 0 3 300.377 2.224 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1CC(N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001100711608 792805916 /nfs/dbraw/zinc/80/59/16/792805916.db2.gz YAEFJKDRNNJMQS-LMWSTFAQSA-N 0 3 319.453 2.261 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3cc(CC)on3)CCC[C@@H]12 ZINC001094561885 792983108 /nfs/dbraw/zinc/98/31/08/792983108.db2.gz LEFCEABJAGTSAB-SJLPKXTDSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)CC3CC3)c2)C1 ZINC001101086661 793010963 /nfs/dbraw/zinc/01/09/63/793010963.db2.gz ICNOPHSWYKURIH-QGZVFWFLSA-N 0 3 315.417 2.137 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H]1c2ccccc2CNC1=O ZINC001172301356 793393707 /nfs/dbraw/zinc/39/37/07/793393707.db2.gz NEPFJAUNOSWBIG-ACJLOTCBSA-N 0 3 305.381 2.450 20 30 DEEDHN Cc1cc(CN)nn1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970995 793547430 /nfs/dbraw/zinc/54/74/30/793547430.db2.gz LDIOHWVHVYMHQQ-KBPBESRZSA-N 0 3 319.409 2.114 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001110168194 793627697 /nfs/dbraw/zinc/62/76/97/793627697.db2.gz NMAZZNCEJHOFAH-SIXLDLHFSA-N 0 3 306.450 2.347 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173338719 793683757 /nfs/dbraw/zinc/68/37/57/793683757.db2.gz IAAZVWPCBUIDHT-UHFFFAOYSA-N 0 3 321.465 2.418 20 30 DEEDHN C=CCOC1CCC(NCc2ncccc2C(=O)OC)CC1 ZINC001173317938 793689309 /nfs/dbraw/zinc/68/93/09/793689309.db2.gz MBYXGMVKIVUYRZ-UHFFFAOYSA-N 0 3 304.390 2.472 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)OCC)C1 ZINC001102696698 793716905 /nfs/dbraw/zinc/71/69/05/793716905.db2.gz JFGZPUMRFLIOMZ-MRVWCRGKSA-N 0 3 302.846 2.238 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173519288 793758340 /nfs/dbraw/zinc/75/83/40/793758340.db2.gz MHXDNHKSOPYWHO-LRDDRELGSA-N 0 3 312.410 2.093 20 30 DEEDHN C[C@@H]1CN(Cc2cncs2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001102964486 793842062 /nfs/dbraw/zinc/84/20/62/793842062.db2.gz JIUCZODNYWPXDS-UKRRQHHQSA-N 0 3 317.458 2.131 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2(COC)CC2)C1 ZINC001103226424 793993020 /nfs/dbraw/zinc/99/30/20/793993020.db2.gz MGUAWNLMXSSRGI-TZMCWYRMSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2ccc(C)n2)C1 ZINC001103447038 794095655 /nfs/dbraw/zinc/09/56/55/794095655.db2.gz IRNJLVYTTLMMSP-IUODEOHRSA-N 0 3 324.856 2.018 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2nccc2C)C1 ZINC001103478793 794108372 /nfs/dbraw/zinc/10/83/72/794108372.db2.gz XGTNIGZVDFJGFR-IUODEOHRSA-N 0 3 324.856 2.018 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001175468310 794214564 /nfs/dbraw/zinc/21/45/64/794214564.db2.gz FYUULYFBWNDKBH-AWEZNQCLSA-N 0 3 321.469 2.182 20 30 DEEDHN CCCCCCN(C)CC(=O)N[C@@H](C)CCCCNCC#N ZINC001175745564 794277589 /nfs/dbraw/zinc/27/75/89/794277589.db2.gz DJHILISSKXZPIC-INIZCTEOSA-N 0 3 310.486 2.287 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC001175829441 794290924 /nfs/dbraw/zinc/29/09/24/794290924.db2.gz HFAXGIAYCZIIOI-IUODEOHRSA-N 0 3 324.808 2.063 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C ZINC001103950052 794323611 /nfs/dbraw/zinc/32/36/11/794323611.db2.gz HNRYLQXUTDIANB-UKRRQHHQSA-N 0 3 324.856 2.018 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C)n(C)n2)C1 ZINC001103977975 794335382 /nfs/dbraw/zinc/33/53/82/794335382.db2.gz OTEHHUDILRSYMT-GDBMZVCRSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1C ZINC001104176224 794409655 /nfs/dbraw/zinc/40/96/55/794409655.db2.gz BSIKQOBPYHPOTL-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)c1ccccc1)C2 ZINC001111498449 794431749 /nfs/dbraw/zinc/43/17/49/794431749.db2.gz WPUIBCKTXXUBNQ-KURKYZTESA-N 0 3 313.445 2.420 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COCC2CCCC2)C1 ZINC001111779860 794478006 /nfs/dbraw/zinc/47/80/06/794478006.db2.gz VITPSLOUFFBORQ-WMZOPIPTSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C[C@@H](C(=O)NCCCNCc1cnns1)c1ccccc1 ZINC001176782133 794492972 /nfs/dbraw/zinc/49/29/72/794492972.db2.gz SNORXGXCAPQSAD-OAHLLOKOSA-N 0 3 316.430 2.104 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(F)(F)F)C1 ZINC001111834425 794494061 /nfs/dbraw/zinc/49/40/61/794494061.db2.gz TYODNAKKONQXKK-OBJOEFQTSA-N 0 3 302.340 2.179 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C(F)(F)F ZINC001112081737 794557066 /nfs/dbraw/zinc/55/70/66/794557066.db2.gz IHZYBVBDHAXIIO-CHWSQXEVSA-N 0 3 300.324 2.099 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@@H](C)C1CC1 ZINC001177046179 794565327 /nfs/dbraw/zinc/56/53/27/794565327.db2.gz BVYYIOWRDDQFMC-SNVBAGLBSA-N 0 3 303.244 2.427 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112159060 794566425 /nfs/dbraw/zinc/56/64/25/794566425.db2.gz OAJCCRDDHWSSOS-BZPMIXESSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001177269125 794629396 /nfs/dbraw/zinc/62/93/96/794629396.db2.gz FEICZIXWONJBQN-LBPRGKRZSA-N 0 3 312.360 2.152 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001177576791 794701916 /nfs/dbraw/zinc/70/19/16/794701916.db2.gz RPKSZTHJODINJD-UHFFFAOYSA-N 0 3 323.824 2.128 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001115276578 794718269 /nfs/dbraw/zinc/71/82/69/794718269.db2.gz RGDDTMQYJTXVHC-WKCGWZECSA-N 0 3 314.429 2.421 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccc[nH]1 ZINC001178101970 794822015 /nfs/dbraw/zinc/82/20/15/794822015.db2.gz KQTKWLURTRRQCC-RDJZCZTQSA-N 0 3 307.397 2.259 20 30 DEEDHN C#CCCCCC(=O)NCCCCCCNCc1cnns1 ZINC001178253949 794869323 /nfs/dbraw/zinc/86/93/23/794869323.db2.gz NZHGZZBLGFAPMS-UHFFFAOYSA-N 0 3 322.478 2.498 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2cccnc2)[C@@H]1C ZINC001178278658 794881741 /nfs/dbraw/zinc/88/17/41/794881741.db2.gz LJPHOQPCVIXGHC-ZOBUZTSGSA-N 0 3 317.433 2.142 20 30 DEEDHN CC[C@H](OC)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178281992 794882757 /nfs/dbraw/zinc/88/27/57/794882757.db2.gz HJMJSFIHHBCTFI-SZMVWBNQSA-N 0 3 314.429 2.042 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCCCCCNCc1ocnc1C ZINC001178334868 794889446 /nfs/dbraw/zinc/88/94/46/794889446.db2.gz KOKVALYWIOJXBI-QGZVFWFLSA-N 0 3 323.437 2.076 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2c[nH]cn2)CCCCC1 ZINC001115750629 794907811 /nfs/dbraw/zinc/90/78/11/794907811.db2.gz ZEWMVTXXYLPKGL-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cccnc2)[C@@H]1C ZINC001178435199 794913950 /nfs/dbraw/zinc/91/39/50/794913950.db2.gz ZFJIBYOKEIBRAX-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001178646197 794964734 /nfs/dbraw/zinc/96/47/34/794964734.db2.gz XSOCNJKAGYOCRH-ZFWWWQNUSA-N 0 3 319.836 2.473 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1cc[nH]c1 ZINC001178763258 794990393 /nfs/dbraw/zinc/99/03/93/794990393.db2.gz YGHZOWXVLMDMPE-YJBOKZPZSA-N 0 3 307.397 2.259 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)[C@@H]1C ZINC001179384304 795110862 /nfs/dbraw/zinc/11/08/62/795110862.db2.gz IZKBRTLGOKKIBA-ZNMIVQPWSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C(C)(F)F)CC1 ZINC001150876194 795154262 /nfs/dbraw/zinc/15/42/62/795154262.db2.gz FYFOZQXJRPBURX-UHFFFAOYSA-N 0 3 304.381 2.205 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001181617824 795508331 /nfs/dbraw/zinc/50/83/31/795508331.db2.gz HGWDPKTZCMBYFB-OAHLLOKOSA-N 0 3 306.381 2.027 20 30 DEEDHN COC(=O)C[C@H](C)N(OC)C(=O)C(C#N)CCc1ccccc1 ZINC001120851464 795543320 /nfs/dbraw/zinc/54/33/20/795543320.db2.gz HUKNYMYAKPYOOA-DZGCQCFKSA-N 0 3 318.373 2.101 20 30 DEEDHN CN1CCC(O)(C(=O)Nc2sc3ccccc3c2C#N)CC1 ZINC001182027551 795588444 /nfs/dbraw/zinc/58/84/44/795588444.db2.gz CPHSVERDTOQKDL-UHFFFAOYSA-N 0 3 315.398 2.168 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2ccn(C)n2)C1 ZINC001182437810 795674938 /nfs/dbraw/zinc/67/49/38/795674938.db2.gz RJTSBCOGZSOGOT-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001182466155 795684964 /nfs/dbraw/zinc/68/49/64/795684964.db2.gz JFHVFMFQCHEAKX-HUUCEWRRSA-N 0 3 318.392 2.117 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C(=O)OC)c1ccc(C)cc1 ZINC001121949715 795708575 /nfs/dbraw/zinc/70/85/75/795708575.db2.gz BGHBEMMFDMIJEX-CVEARBPZSA-N 0 3 318.417 2.051 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC001122055733 795722232 /nfs/dbraw/zinc/72/22/32/795722232.db2.gz MVWROZLLDAFKOJ-CJNGLKHVSA-N 0 3 316.417 2.178 20 30 DEEDHN C#CCN(C)c1nnc([C@@H]2CCCN(C)C2)n1Cc1ccccc1 ZINC001122121731 795728284 /nfs/dbraw/zinc/72/82/84/795728284.db2.gz SZSBPKZPCFQEKL-QGZVFWFLSA-N 0 3 323.444 2.205 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1cccc(F)c1 ZINC001122328610 795747687 /nfs/dbraw/zinc/74/76/87/795747687.db2.gz QMKJYDOIZJVQCW-ZDUSSCGKSA-N 0 3 300.761 2.181 20 30 DEEDHN C=CCC[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnns1)C2 ZINC001110325046 795777574 /nfs/dbraw/zinc/77/75/74/795777574.db2.gz RBFFPQHWRVFMIK-LOWDOPEQSA-N 0 3 306.435 2.228 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3cnc(C)s3)C2)CCC1 ZINC001183185605 795818955 /nfs/dbraw/zinc/81/89/55/795818955.db2.gz NSBYARNPYSAFDQ-CQSZACIVSA-N 0 3 317.458 2.336 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2ccc(F)c(C#N)c2)o1 ZINC001123104553 795851069 /nfs/dbraw/zinc/85/10/69/795851069.db2.gz VSNLLXGDYBWCSQ-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN CN(C)c1ccncc1NC(=O)[C@H](C#N)Cc1ccc(O)cc1 ZINC001183604944 795903347 /nfs/dbraw/zinc/90/33/47/795903347.db2.gz FLEAEHNDRXQZKQ-ZDUSSCGKSA-N 0 3 310.357 2.174 20 30 DEEDHN CN(C)c1ccncc1NC(=O)[C@@H](C#N)Cc1ccc(O)cc1 ZINC001183604943 795903362 /nfs/dbraw/zinc/90/33/62/795903362.db2.gz FLEAEHNDRXQZKQ-CYBMUJFWSA-N 0 3 310.357 2.174 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2[C@@H]2CCCO2)CC1 ZINC001123505118 795923463 /nfs/dbraw/zinc/92/34/63/795923463.db2.gz YAPRSQSEAQPQDP-IRXDYDNUSA-N 0 3 321.465 2.380 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CCCCC ZINC001123603046 795942160 /nfs/dbraw/zinc/94/21/60/795942160.db2.gz KDTDNNDWDHIIFB-HNNXBMFYSA-N 0 3 311.470 2.086 20 30 DEEDHN C=C(CC)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001123902558 795996286 /nfs/dbraw/zinc/99/62/86/795996286.db2.gz RNPNMHJMKROJNM-UHFFFAOYSA-N 0 3 302.418 2.096 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2cnc(C)o2)[C@H](C)C1 ZINC001184312661 796031682 /nfs/dbraw/zinc/03/16/82/796031682.db2.gz SOGJPXXUJRJMLG-ZBFHGGJFSA-N 0 3 317.433 2.361 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CCN(C(=O)C#CC(C)C)C[C@H]1C ZINC001184371868 796056213 /nfs/dbraw/zinc/05/62/13/796056213.db2.gz POZPXJVBTYIEMF-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCC(=O)NCCNCC(=O)N[C@@H](C)CCCCCC ZINC001124646663 796079104 /nfs/dbraw/zinc/07/91/04/796079104.db2.gz XRVKZLFRFVNVJP-HNNXBMFYSA-N 0 3 311.470 2.134 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CNCc2cnns2)[C@@H](C)C1 ZINC001185061235 796172865 /nfs/dbraw/zinc/17/28/65/796172865.db2.gz KKAZYONFUHTQRY-UONOGXRCSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncccc1[O-])C2 ZINC001138393853 796212910 /nfs/dbraw/zinc/21/29/10/796212910.db2.gz XNGZSDDRWHGYMT-PBHICJAKSA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncccc1[O-])C2 ZINC001138393853 796212915 /nfs/dbraw/zinc/21/29/15/796212915.db2.gz XNGZSDDRWHGYMT-PBHICJAKSA-N 0 3 304.390 2.113 20 30 DEEDHN C=C(C)COc1ccccc1CN1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001138662118 796254234 /nfs/dbraw/zinc/25/42/34/796254234.db2.gz OUUVTUXRGRTVGC-ROUUACIJSA-N 0 3 305.418 2.207 20 30 DEEDHN O=C1C=C2CN(Cc3ccnn3[C@@H]3CCCCO3)CCC2S1 ZINC001138774568 796273968 /nfs/dbraw/zinc/27/39/68/796273968.db2.gz AGMCSCRTRFSSNR-CABCVRRESA-N 0 3 319.430 2.356 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202876575 796300883 /nfs/dbraw/zinc/30/08/83/796300883.db2.gz IDVDXARPRLSNSF-GJZGRUSLSA-N 0 3 317.458 2.320 20 30 DEEDHN Cc1cccnc1CN[C@H]1C[C@@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202888778 796315844 /nfs/dbraw/zinc/31/58/44/796315844.db2.gz UCLOOYIMLUYPMV-ZWKOTPCHSA-N 0 3 323.440 2.320 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cnc(N)s1)C2 ZINC001139225874 796344838 /nfs/dbraw/zinc/34/48/38/796344838.db2.gz LYGCGRXNQGEERF-ZBFHGGJFSA-N 0 3 323.462 2.299 20 30 DEEDHN COc1ccc(OC)c(CN2CCC3SC(=O)C=C3C2)c1N ZINC001139274763 796352116 /nfs/dbraw/zinc/35/21/16/796352116.db2.gz TUEUVMPLXHKAND-AWEZNQCLSA-N 0 3 320.414 2.060 20 30 DEEDHN CN1CCN(c2ncc(CN3CCC(CC#N)CC3)s2)CC1 ZINC001139324499 796359436 /nfs/dbraw/zinc/35/94/36/796359436.db2.gz CVYUFJYXNRTLDY-UHFFFAOYSA-N 0 3 319.478 2.021 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(CC)c1 ZINC001110379185 796389375 /nfs/dbraw/zinc/38/93/75/796389375.db2.gz ZHNIDFOKEJIPAH-ZACQAIPSSA-N 0 3 316.449 2.133 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cnccc3OC)C2)C1=O ZINC001139608372 796401584 /nfs/dbraw/zinc/40/15/84/796401584.db2.gz XZYCQHBUBSWCPJ-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC001139866003 796438391 /nfs/dbraw/zinc/43/83/91/796438391.db2.gz WXCZUUCXVKKBIR-WMLDXEAASA-N 0 3 318.417 2.181 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001139869380 796439079 /nfs/dbraw/zinc/43/90/79/796439079.db2.gz HZZWWPLTEFSZQS-GOSISDBHSA-N 0 3 324.428 2.207 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001186800217 796439787 /nfs/dbraw/zinc/43/97/87/796439787.db2.gz ZRWJZZHRRDVWJB-MRXNPFEDSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccncc1O)CCO2 ZINC001140276212 796499198 /nfs/dbraw/zinc/49/91/98/796499198.db2.gz GXJZAHCDVMLEBP-FUHWJXTLSA-N 0 3 318.417 2.361 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001187307159 796522318 /nfs/dbraw/zinc/52/23/18/796522318.db2.gz XDHINIPGTIBUQF-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001187413019 796532890 /nfs/dbraw/zinc/53/28/90/796532890.db2.gz IFSRRAFDJLNENO-QFBILLFUSA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1nccnc1C)C2 ZINC001140936519 796601208 /nfs/dbraw/zinc/60/12/08/796601208.db2.gz QUGYZAGZMZUGCH-QZTJIDSGSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000838624367 796671681 /nfs/dbraw/zinc/67/16/81/796671681.db2.gz UGQLXUKVVDBRBH-UHFFFAOYSA-N 0 3 309.797 2.425 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000838623992 796671756 /nfs/dbraw/zinc/67/17/56/796671756.db2.gz BAOOOALXNMMGJZ-UHFFFAOYSA-N 0 3 300.362 2.213 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(Cl)c1OC ZINC000838624170 796671808 /nfs/dbraw/zinc/67/18/08/796671808.db2.gz KHQJBGLYUHAZRH-UHFFFAOYSA-N 0 3 309.797 2.425 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001188863315 796728954 /nfs/dbraw/zinc/72/89/54/796728954.db2.gz RLAHCQJDOKTJNH-GFCCVEGCSA-N 0 3 312.797 2.282 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001189069650 796762541 /nfs/dbraw/zinc/76/25/41/796762541.db2.gz RLKKGGJVJLPEHH-GXTWGEPZSA-N 0 3 323.824 2.017 20 30 DEEDHN COc1ccc(C#N)c(C(=O)NCCc2cnc3cc[nH]cc2-3)c1 ZINC001189094791 796769329 /nfs/dbraw/zinc/76/93/29/796769329.db2.gz ISAONWZYXMAQBK-UHFFFAOYSA-N 0 3 320.352 2.416 20 30 DEEDHN COc1ccc(C#N)c(C(=O)NCCc2c[nH]c3ccncc23)c1 ZINC001189094791 796769334 /nfs/dbraw/zinc/76/93/34/796769334.db2.gz ISAONWZYXMAQBK-UHFFFAOYSA-N 0 3 320.352 2.416 20 30 DEEDHN O=C1C=C2CN(Cc3cnc4ccc(Cl)nn34)CCC2S1 ZINC001142987640 796791365 /nfs/dbraw/zinc/79/13/65/796791365.db2.gz HIMLUZJDPPAPOZ-LLVKDONJSA-N 0 3 320.805 2.157 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001189371799 796813683 /nfs/dbraw/zinc/81/36/83/796813683.db2.gz SDPGWLHTPQHPHY-QGZVFWFLSA-N 0 3 320.408 2.369 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001149261624 796834661 /nfs/dbraw/zinc/83/46/61/796834661.db2.gz AGADDALVPXJROE-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1CN(CC=C(C)C)CCCO1 ZINC001149579981 796870692 /nfs/dbraw/zinc/87/06/92/796870692.db2.gz PGDJIXPGNRJBOU-KRWDZBQOSA-N 0 3 306.450 2.353 20 30 DEEDHN Cc1ccccc1OCC(=O)NCCNCc1cccc(C#N)c1 ZINC001149703735 796888964 /nfs/dbraw/zinc/88/89/64/796888964.db2.gz VUCIHTKKXZUPND-UHFFFAOYSA-N 0 3 323.396 2.152 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001189930946 796910302 /nfs/dbraw/zinc/91/03/02/796910302.db2.gz MUFLOROYWWUURR-ZWKOTPCHSA-N 0 3 314.429 2.344 20 30 DEEDHN Cc1ccc(OCC(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC001150138031 796923180 /nfs/dbraw/zinc/92/31/80/796923180.db2.gz ZQBRIFYSDMKVND-UHFFFAOYSA-N 0 3 323.396 2.152 20 30 DEEDHN Cc1nc(CCN(C)[C@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001190053034 796927892 /nfs/dbraw/zinc/92/78/92/796927892.db2.gz CPZHSKPMYJSJSF-INIZCTEOSA-N 0 3 319.474 2.186 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150411100 796942071 /nfs/dbraw/zinc/94/20/71/796942071.db2.gz UAVMCZONCNMPHA-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001150508499 796949195 /nfs/dbraw/zinc/94/91/95/796949195.db2.gz UVEGNGDRXOTYPG-AEFFLSMTSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2C)C1 ZINC001190270801 796972414 /nfs/dbraw/zinc/97/24/14/796972414.db2.gz UCSJFNGVOHHWTM-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)/C=C/c2ccco2)CC1 ZINC001150910988 796990172 /nfs/dbraw/zinc/99/01/72/796990172.db2.gz KQYIKDJRGMGODK-VOTSOKGWSA-N 0 3 318.417 2.466 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CCc2ccco2)CC1 ZINC001150944050 796993937 /nfs/dbraw/zinc/99/39/37/796993937.db2.gz PMEKORAYZXLSDF-UHFFFAOYSA-N 0 3 320.433 2.386 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2onc(C)c2C)CC1 ZINC001151168949 797018387 /nfs/dbraw/zinc/01/83/87/797018387.db2.gz UNLMNGQVZXBNDG-UHFFFAOYSA-N 0 3 321.421 2.078 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC001190663099 797042881 /nfs/dbraw/zinc/04/28/81/797042881.db2.gz ACQFBOAMFJYQCT-CQSZACIVSA-N 0 3 324.371 2.314 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CSC ZINC001151792935 797096802 /nfs/dbraw/zinc/09/68/02/797096802.db2.gz VDTVYEZQRJOOPU-CYBMUJFWSA-N 0 3 305.447 2.248 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H](N(C)CCOC)C2)cc1 ZINC001190973473 797116770 /nfs/dbraw/zinc/11/67/70/797116770.db2.gz OBZGATJZPQVTMQ-MRXNPFEDSA-N 0 3 318.417 2.044 20 30 DEEDHN Cc1ncc(CNCCNC(=O)CC#Cc2ccccc2)s1 ZINC001151953189 797123271 /nfs/dbraw/zinc/12/32/71/797123271.db2.gz VPWDRAWLHJDANH-UHFFFAOYSA-N 0 3 313.426 2.099 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2cccc(C#N)c2)c(C)n1 ZINC001152078274 797141488 /nfs/dbraw/zinc/14/14/88/797141488.db2.gz LBEYNLZFZGXSSC-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001191717815 797247178 /nfs/dbraw/zinc/24/71/78/797247178.db2.gz BOMKOGKXABIQJT-GFCCVEGCSA-N 0 3 304.381 2.013 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCc2cccc(C)c2)C[C@H]1O ZINC001191724536 797248107 /nfs/dbraw/zinc/24/81/07/797248107.db2.gz KGCZHYWIHGJPDC-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1csc(C)c1 ZINC001153306643 797319014 /nfs/dbraw/zinc/31/90/14/797319014.db2.gz NNLSTJYWVQKJQJ-UKRRQHHQSA-N 0 3 322.474 2.421 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001192163308 797329580 /nfs/dbraw/zinc/32/95/80/797329580.db2.gz VDXZFEBAASUONQ-BBRMVZONSA-N 0 3 318.408 2.403 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001192813839 797453705 /nfs/dbraw/zinc/45/37/05/797453705.db2.gz QDSXKGSJIBKLMZ-HZPDHXFCSA-N 0 3 308.466 2.168 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O ZINC001192871032 797457452 /nfs/dbraw/zinc/45/74/52/797457452.db2.gz JICOUBBJBUTFIR-HUUCEWRRSA-N 0 3 308.466 2.024 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncoc1C(F)(F)F ZINC001154087743 797460578 /nfs/dbraw/zinc/46/05/78/797460578.db2.gz PTDGIYZJPHXXLO-SNVBAGLBSA-N 0 3 317.311 2.157 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1cccnc1 ZINC001154112478 797466133 /nfs/dbraw/zinc/46/61/33/797466133.db2.gz HMRMIGXJMNHNRS-OAHLLOKOSA-N 0 3 301.434 2.209 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001154355855 797522034 /nfs/dbraw/zinc/52/20/34/797522034.db2.gz KQGLURVJOHPNJL-CXAGYDPISA-N 0 3 302.393 2.315 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cnoc2C(C)C)C1 ZINC001193218548 797523675 /nfs/dbraw/zinc/52/36/75/797523675.db2.gz MLUPWYMQPIFYMY-CQSZACIVSA-N 0 3 321.421 2.147 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)OCc1ccccc1C ZINC001154492846 797544892 /nfs/dbraw/zinc/54/48/92/797544892.db2.gz RCASUAYDMDDXIN-IAGOWNOFSA-N 0 3 316.445 2.360 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C=C)C1 ZINC001193336901 797548229 /nfs/dbraw/zinc/54/82/29/797548229.db2.gz ALVXMZMWSGLIKM-HZPDHXFCSA-N 0 3 308.466 2.496 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(F)ccc(F)c1OC ZINC001154577763 797565335 /nfs/dbraw/zinc/56/53/35/797565335.db2.gz PTZWTOHCXACIMR-GFCCVEGCSA-N 0 3 324.371 2.437 20 30 DEEDHN CS[C@H](C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001154929920 797641172 /nfs/dbraw/zinc/64/11/72/797641172.db2.gz GUNNIOJJQHHXCU-LLVKDONJSA-N 0 3 309.410 2.045 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOCc2ccccc2)C1 ZINC001194097683 797681085 /nfs/dbraw/zinc/68/10/85/797681085.db2.gz DUIWCFXOGCGYDO-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOCc2ccccc2)C1 ZINC001194097684 797681241 /nfs/dbraw/zinc/68/12/41/797681241.db2.gz DUIWCFXOGCGYDO-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN N#CCc1ccc(OCc2ccc(-n3nccc3CN)nc2)cc1 ZINC001155125068 797689499 /nfs/dbraw/zinc/68/94/99/797689499.db2.gz QZUDYQVDHMMPGT-UHFFFAOYSA-N 0 3 319.368 2.371 20 30 DEEDHN COC(=O)c1cc(C#N)cnc1-n1c2ccccc2nc1[C@H](C)N ZINC001155256823 797718940 /nfs/dbraw/zinc/71/89/40/797718940.db2.gz SGKSGLCZRFAARG-JTQLQIEISA-N 0 3 321.340 2.098 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001194556993 797744167 /nfs/dbraw/zinc/74/41/67/797744167.db2.gz MQZMQNODZFNPLG-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(F)c(OC)c1 ZINC001155394560 797747779 /nfs/dbraw/zinc/74/77/79/797747779.db2.gz OERSZXIGFFZNGX-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001195255708 797860345 /nfs/dbraw/zinc/86/03/45/797860345.db2.gz YZSKJUHQHNRWMV-GUFYHEMZSA-N 0 3 308.466 2.496 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001155839238 797861658 /nfs/dbraw/zinc/86/16/58/797861658.db2.gz UBVLLFOCNCSRDP-HUUCEWRRSA-N 0 3 314.429 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)c1c(C)noc1C ZINC001155850884 797866600 /nfs/dbraw/zinc/86/66/00/797866600.db2.gz KNOPNUDNDMPJDW-IUODEOHRSA-N 0 3 305.422 2.245 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCOc2ccccc21 ZINC001155851343 797866874 /nfs/dbraw/zinc/86/68/74/797866874.db2.gz XIXZTVBPWUXPJP-WBVHZDCISA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(CCC)c1C ZINC001156000971 797901771 /nfs/dbraw/zinc/90/17/71/797901771.db2.gz ZXMHOFKWZCKDGF-CQSZACIVSA-N 0 3 304.438 2.065 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(C[C@H]2CC[C@H](C)O2)CC1 ZINC001195452936 797903592 /nfs/dbraw/zinc/90/35/92/797903592.db2.gz RWOKISQUYDFGDV-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(CCOCC)CCCC1 ZINC001156016629 797904922 /nfs/dbraw/zinc/90/49/22/797904922.db2.gz JGXFAEKJCHHWDX-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001195517790 797920276 /nfs/dbraw/zinc/92/02/76/797920276.db2.gz GECMNOTZXKXLQG-DRRXZNNHSA-N 0 3 308.466 2.164 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001195548966 797922695 /nfs/dbraw/zinc/92/26/95/797922695.db2.gz MJMFLYAFOMDDHY-DJIMGWMZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@@H](OCC)C2=CCCC2)CC1 ZINC001195853769 797968893 /nfs/dbraw/zinc/96/88/93/797968893.db2.gz OGEQHYADESULIV-GOSISDBHSA-N 0 3 318.461 2.450 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCCC(C)C)C[C@H]2O)CC1 ZINC001195905989 797982426 /nfs/dbraw/zinc/98/24/26/797982426.db2.gz JLRAFISEAOBLOV-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1CC2(C1)CCOCC2 ZINC001156359452 797984071 /nfs/dbraw/zinc/98/40/71/797984071.db2.gz UAIRFCOAMQXTFJ-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CCC(=O)N1CCCN(CCCO[C@@H]2CCOC2)CC1 ZINC001196017808 797994528 /nfs/dbraw/zinc/99/45/28/797994528.db2.gz CTNKOSDBQJCSOS-QGZVFWFLSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001196083103 798003492 /nfs/dbraw/zinc/00/34/92/798003492.db2.gz KXOFHYHTIODJDB-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN CCCCCCC[N@@H+]1CCCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001196251410 798025590 /nfs/dbraw/zinc/02/55/90/798025590.db2.gz LJMOMGNCCTUEMD-UHFFFAOYSA-N 0 3 320.437 2.301 20 30 DEEDHN CCCCCCC[N@H+]1CCCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001196251410 798025596 /nfs/dbraw/zinc/02/55/96/798025596.db2.gz LJMOMGNCCTUEMD-UHFFFAOYSA-N 0 3 320.437 2.301 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1cc(F)ccc1F ZINC001156549149 798027636 /nfs/dbraw/zinc/02/76/36/798027636.db2.gz YWAPFLCWTKQZKL-CYBMUJFWSA-N 0 3 324.371 2.194 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001156652631 798053798 /nfs/dbraw/zinc/05/37/98/798053798.db2.gz BHVOONUNYAHPJW-CABCVRRESA-N 0 3 320.408 2.191 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CCCn1nc(C)cc1C ZINC001156672772 798059782 /nfs/dbraw/zinc/05/97/82/798059782.db2.gz XNUMNCNNIOZWKI-UHFFFAOYSA-N 0 3 306.454 2.246 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(COC)CC2)C12CCC2 ZINC001203175528 798084803 /nfs/dbraw/zinc/08/48/03/798084803.db2.gz CNZYAWUDJOHJNW-CHWSQXEVSA-N 0 3 312.841 2.183 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(N(CC)CC)nc1 ZINC001157274512 798175576 /nfs/dbraw/zinc/17/55/76/798175576.db2.gz VVRFKHVAAIAERX-OAHLLOKOSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001197477861 798193187 /nfs/dbraw/zinc/19/31/87/798193187.db2.gz CRUFYRSTEGZVDO-GVDBMIGSSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ccccn1 ZINC001157431617 798205261 /nfs/dbraw/zinc/20/52/61/798205261.db2.gz HMKKAKALDJPXMR-MRXNPFEDSA-N 0 3 317.433 2.211 20 30 DEEDHN CN1CCC[C@H]2CN(C(=S)Nc3cccc(C#N)c3)C[C@H]21 ZINC001197706479 798227906 /nfs/dbraw/zinc/22/79/06/798227906.db2.gz QOFDSOAGKOYWOA-DZGCQCFKSA-N 0 3 300.431 2.281 20 30 DEEDHN CN1CCC[C@H]2CN(C(=S)Nc3cccc(C#N)c3)C[C@@H]21 ZINC001197706498 798228508 /nfs/dbraw/zinc/22/85/08/798228508.db2.gz QOFDSOAGKOYWOA-ZFWWWQNUSA-N 0 3 300.431 2.281 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157762044 798272493 /nfs/dbraw/zinc/27/24/93/798272493.db2.gz MIRWUSVPXADFGP-OAGJVSPASA-N 0 3 306.450 2.468 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCOc2ccccc2C)CC1 ZINC001198105736 798285251 /nfs/dbraw/zinc/28/52/51/798285251.db2.gz MINACJFRQNGBSZ-UHFFFAOYSA-N 0 3 314.429 2.322 20 30 DEEDHN C=CC[C@H](C(=O)N1CCCN(CCCO)CC1)c1ccccc1 ZINC001198198359 798298286 /nfs/dbraw/zinc/29/82/86/798298286.db2.gz ZNIBVPDRGFCGRP-SFHVURJKSA-N 0 3 316.445 2.263 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001198269392 798312062 /nfs/dbraw/zinc/31/20/62/798312062.db2.gz YIZQXQLWXMQVKM-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCCN(CC[C@H]2CCCCO2)CC1 ZINC001198344660 798320015 /nfs/dbraw/zinc/32/00/15/798320015.db2.gz VSDBIFAEKFILSQ-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001198374509 798324795 /nfs/dbraw/zinc/32/47/95/798324795.db2.gz VQRMOQVKKRQRCY-KBAYOESNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCc2cccs2)C1 ZINC001198466446 798339175 /nfs/dbraw/zinc/33/91/75/798339175.db2.gz PIMZXOPKDUAMLF-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCCCN[C@H](CNC(=O)COCC)c1ccccc1OC ZINC001198509189 798351338 /nfs/dbraw/zinc/35/13/38/798351338.db2.gz UGCJUCXHNIPCDC-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=C(C)CCN[C@@H](CNC(=O)[C@H](C)OC)c1ccccc1OC ZINC001198577719 798357665 /nfs/dbraw/zinc/35/76/65/798357665.db2.gz LEQAGIJZCWFXEA-HOCLYGCPSA-N 0 3 320.433 2.443 20 30 DEEDHN CCCN[C@@H](CNC(=O)CSCC#N)c1ccccc1OC ZINC001198555311 798362099 /nfs/dbraw/zinc/36/20/99/798362099.db2.gz UKOXAHCEEDDNCY-AWEZNQCLSA-N 0 3 321.446 2.109 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@@H](CC)OC)c1ccccc1OC ZINC001198595608 798362972 /nfs/dbraw/zinc/36/29/72/798362972.db2.gz MBSNASQCZUVKSK-JKSUJKDBSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](NCCCF)c1ccccc1OC ZINC001198605384 798365929 /nfs/dbraw/zinc/36/59/29/798365929.db2.gz GJUOOUUSSWVXOD-OAHLLOKOSA-N 0 3 324.396 2.004 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCC(=C)C)C[C@H]2O)CCCCC1 ZINC001199278056 798466493 /nfs/dbraw/zinc/46/64/93/798466493.db2.gz MFOGCNNMTRVPSE-IAGOWNOFSA-N 0 3 318.461 2.088 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cncn1C)[C@@H]2CC ZINC001204387095 798472480 /nfs/dbraw/zinc/47/24/80/798472480.db2.gz WVUKRUCUPUFGJP-AEFFLSMTSA-N 0 3 316.449 2.342 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCC1=CCN(CC#CC)CC1 ZINC001159488915 798570840 /nfs/dbraw/zinc/57/08/40/798570840.db2.gz WSZBXPPWQHZWON-MRXNPFEDSA-N 0 3 304.434 2.129 20 30 DEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cncc(CC#N)n1 ZINC001159596022 798585584 /nfs/dbraw/zinc/58/55/84/798585584.db2.gz UGBYPBXHPAWANZ-LBPRGKRZSA-N 0 3 304.357 2.415 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cn2cc(C)nc2s1 ZINC001159892226 798622111 /nfs/dbraw/zinc/62/21/11/798622111.db2.gz PYAJVNHJAVZQIJ-UHFFFAOYSA-N 0 3 312.826 2.166 20 30 DEEDHN COc1ccc(C#N)c(NC(=S)NCCN2CCCCC2)c1 ZINC001200431387 798636021 /nfs/dbraw/zinc/63/60/21/798636021.db2.gz ZCCJKUGPSVFEMD-UHFFFAOYSA-N 0 3 318.446 2.339 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2snnc2C)CC1 ZINC001200823172 798683499 /nfs/dbraw/zinc/68/34/99/798683499.db2.gz CDBZUKKPLVCHQP-UHFFFAOYSA-N 0 3 308.451 2.283 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CCCO1 ZINC001201043278 798709978 /nfs/dbraw/zinc/70/99/78/798709978.db2.gz WOGGOKXWEMFZHC-MHORFTMASA-N 0 3 318.461 2.043 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@@H](CNC/C=C/Cl)C1 ZINC001201139758 798715058 /nfs/dbraw/zinc/71/50/58/798715058.db2.gz YVBHQOLVERVNRX-IYNGYCSASA-N 0 3 300.830 2.158 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ncc3ccccn32)CC1 ZINC001160665678 798717879 /nfs/dbraw/zinc/71/78/79/798717879.db2.gz CQJPKDCAKYHEMY-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN CC#CCCCC(=O)N1CCCO[C@H](CNC[C@@H](F)CC)C1 ZINC001201211041 798722187 /nfs/dbraw/zinc/72/21/87/798722187.db2.gz RWHIAPGSOHHFAY-JKSUJKDBSA-N 0 3 312.429 2.135 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)CCCO1 ZINC001201309315 798737966 /nfs/dbraw/zinc/73/79/66/798737966.db2.gz NTZALPKTFUMXOX-OAHLLOKOSA-N 0 3 320.820 2.102 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(C)CCCCC2)CCCO1 ZINC001201308976 798738169 /nfs/dbraw/zinc/73/81/69/798738169.db2.gz HWCJRMZONGPXTK-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H](C)CC(C)(C)C)CCCO1 ZINC001201471269 798763766 /nfs/dbraw/zinc/76/37/66/798763766.db2.gz BDITXVYWIVKFJD-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc3c(c2)C=CCC3)CCCO1 ZINC001201640159 798777312 /nfs/dbraw/zinc/77/73/12/798777312.db2.gz UOQUWQYIAJSMRC-LJQANCHMSA-N 0 3 324.424 2.100 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@H](C)C(C)(C)C)CCCO1 ZINC001201944060 798813720 /nfs/dbraw/zinc/81/37/20/798813720.db2.gz DGFMNSJSDYRKSV-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cc(C)c(C)s2)CCCO1 ZINC001202013102 798817263 /nfs/dbraw/zinc/81/72/63/798817263.db2.gz FDFCWDXRSFKPAV-HNNXBMFYSA-N 0 3 320.458 2.209 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(NCc2snnc2C)CC1 ZINC001202084626 798825190 /nfs/dbraw/zinc/82/51/90/798825190.db2.gz GYNKPMCPHZWRRT-VXGBXAGGSA-N 0 3 322.478 2.385 20 30 DEEDHN CC#CCCCC(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202101877 798827252 /nfs/dbraw/zinc/82/72/52/798827252.db2.gz UMAFWQUHZCXJMM-UHFFFAOYSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202123693 798829638 /nfs/dbraw/zinc/82/96/38/798829638.db2.gz UYVRMDPLXYPPSQ-CQSZACIVSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NCc2cnns2)CC1 ZINC001202129845 798830437 /nfs/dbraw/zinc/83/04/37/798830437.db2.gz ASMNSZKOPHNXHC-LBPRGKRZSA-N 0 3 308.451 2.221 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCCCC2(C)C)CCCO1 ZINC001202184745 798837099 /nfs/dbraw/zinc/83/70/99/798837099.db2.gz VVFUQTWCFONNPE-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN COC(=O)CCCN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001202262725 798847176 /nfs/dbraw/zinc/84/71/76/798847176.db2.gz ANCDKUCHODRPPR-INIZCTEOSA-N 0 3 302.374 2.355 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001202421434 798884689 /nfs/dbraw/zinc/88/46/89/798884689.db2.gz VHVDHCJTAWMXQJ-SNVBAGLBSA-N 0 3 315.251 2.282 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cncnc2C2CC2)CC1 ZINC001161801442 798940696 /nfs/dbraw/zinc/94/06/96/798940696.db2.gz JNFKBXWFSZKUOZ-UHFFFAOYSA-N 0 3 324.428 2.129 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)Cc2ccc(C)nc2)CC1 ZINC001161874564 798955522 /nfs/dbraw/zinc/95/55/22/798955522.db2.gz CTDKNVAMZKERDH-UHFFFAOYSA-N 0 3 311.429 2.094 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCCn2cccc2)CC1 ZINC001161924481 798968789 /nfs/dbraw/zinc/96/87/89/798968789.db2.gz FASFVKCSLJGUJP-UHFFFAOYSA-N 0 3 313.445 2.430 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2CCCCC2)(COC)CC1 ZINC001162077556 799006122 /nfs/dbraw/zinc/00/61/22/799006122.db2.gz UBGJIXBRAWBWND-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCC23CC3)(COC)CC1 ZINC001162321297 799059686 /nfs/dbraw/zinc/05/96/86/799059686.db2.gz ZBOBMEBSAAAUPU-MRXNPFEDSA-N 0 3 318.461 2.045 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@]12CCO[C@@H]1CCCC2 ZINC001162342043 799066312 /nfs/dbraw/zinc/06/63/12/799066312.db2.gz VOAIOCMNPSNZFK-UKRRQHHQSA-N 0 3 300.830 2.184 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(C(C)C)CC2)(COC)CC1 ZINC001162476925 799098089 /nfs/dbraw/zinc/09/80/89/799098089.db2.gz IUASAMCEPUOCJG-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2C[C@]2(C)C(C)C)(COC)CC1 ZINC001162564158 799118190 /nfs/dbraw/zinc/11/81/90/799118190.db2.gz WDDAOVPARZUDRA-SJLPKXTDSA-N 0 3 320.477 2.147 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC[C@@H](C)OC ZINC001162774191 799171126 /nfs/dbraw/zinc/17/11/26/799171126.db2.gz VRENZAPUVSHCAE-QGZVFWFLSA-N 0 3 316.445 2.096 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H](F)C(C)C 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C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001230327754 801386698 /nfs/dbraw/zinc/38/66/98/801386698.db2.gz HFGBILLBZBHOCR-FVQBIDKESA-N 0 3 321.421 2.091 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001230696901 801465749 /nfs/dbraw/zinc/46/57/49/801465749.db2.gz FWQIHGOFIVDXCF-GDBMZVCRSA-N 0 3 311.470 2.014 20 30 DEEDHN C#CCCN(CCCNC(=O)C1CC=CC1)Cc1cccnc1 ZINC001230720318 801472823 /nfs/dbraw/zinc/47/28/23/801472823.db2.gz CBDWVJZEHYMMBF-UHFFFAOYSA-N 0 3 311.429 2.379 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCOCC(F)(F)F ZINC001231121154 801584999 /nfs/dbraw/zinc/58/49/99/801584999.db2.gz AGTOBJZKTIQQIZ-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN CN(CCCNC(=O)CC1CC1)Cc1ccc(C#N)c(F)c1 ZINC001231140007 801591816 /nfs/dbraw/zinc/59/18/16/801591816.db2.gz ZLCYNUUXWDLJPB-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC[C@H](C)F)C[C@H]2OC)CCC1 ZINC001213397277 801604156 /nfs/dbraw/zinc/60/41/56/801604156.db2.gz FQIYRYRFRMTWNH-RRFJBIMHSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC ZINC001213497784 801614915 /nfs/dbraw/zinc/61/49/15/801614915.db2.gz GMQKFCJNQRBQOC-BFHYXJOUSA-N 0 3 300.418 2.152 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NCC#Cc1ccccc1 ZINC001214040778 801667091 /nfs/dbraw/zinc/66/70/91/801667091.db2.gz LKLXYAUEUZKLLH-UKRRQHHQSA-N 0 3 306.356 2.130 20 30 DEEDHN C#Cc1cccc(CN2CC[C@H](Oc3ncc(OC)cn3)C2)c1 ZINC001231663078 801706363 /nfs/dbraw/zinc/70/63/63/801706363.db2.gz IKTXDPZSSIFXBW-INIZCTEOSA-N 0 3 309.369 2.120 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001215427477 801860419 /nfs/dbraw/zinc/86/04/19/801860419.db2.gz AFTQJFVOCKHXRL-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN COC(=O)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001232704279 801945127 /nfs/dbraw/zinc/94/51/27/801945127.db2.gz PXCGDYCBMMZXFH-CQSZACIVSA-N 0 3 321.373 2.386 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)n1 ZINC001232922256 801983668 /nfs/dbraw/zinc/98/36/68/801983668.db2.gz GEBHZPRJHOIJHE-CVEARBPZSA-N 0 3 304.353 2.121 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C3CCC3)[C@H]2C1 ZINC001217171582 802049594 /nfs/dbraw/zinc/04/95/94/802049594.db2.gz ASWSFFRTPFCANN-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC=CCC3)[C@H]2C1 ZINC001217266281 802062512 /nfs/dbraw/zinc/06/25/12/802062512.db2.gz YUTAJKNHQHZGJX-IXDOHACOSA-N 0 3 304.434 2.221 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3c(C)coc3C)[C@H]2C1 ZINC001217770554 802112972 /nfs/dbraw/zinc/11/29/72/802112972.db2.gz NAXKMTLQHHJAPF-JKSUJKDBSA-N 0 3 318.417 2.388 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3cocc3C)[C@H]2C1 ZINC001218430102 802181785 /nfs/dbraw/zinc/18/17/85/802181785.db2.gz NVGFWEQTGKEDGD-HYVNUMGLSA-N 0 3 318.417 2.468 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001218517052 802196116 /nfs/dbraw/zinc/19/61/16/802196116.db2.gz ICWAJLDNVAQXTF-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)CC(=C)C)[C@H]2C1 ZINC001218523808 802198211 /nfs/dbraw/zinc/19/82/11/802198211.db2.gz PVLDQSNHMWSIGL-YESZJQIVSA-N 0 3 306.450 2.467 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)n1cncn1 ZINC001233762189 802200947 /nfs/dbraw/zinc/20/09/47/802200947.db2.gz QSAIBKFEVUFXIC-HOTGVXAUSA-N 0 3 321.469 2.342 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CCC[C@H]1CCOC1 ZINC001233948390 802249373 /nfs/dbraw/zinc/24/93/73/802249373.db2.gz VNHXCWPTBMGXBI-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)c(O)c1 ZINC001218988680 802270805 /nfs/dbraw/zinc/27/08/05/802270805.db2.gz KJRRWSUNZCVTGE-KOLCDFICSA-N 0 3 313.279 2.133 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc(C)oc2C)[C@@H](O)C1 ZINC001219175615 802293042 /nfs/dbraw/zinc/29/30/42/802293042.db2.gz NPLOFEXHWNMUKL-SJORKVTESA-N 0 3 320.433 2.418 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](O)C1 ZINC001219180754 802293538 /nfs/dbraw/zinc/29/35/38/802293538.db2.gz NHBBYEXMRDLKLL-TUAOUCFPSA-N 0 3 312.797 2.063 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CC/C=C/c2ccccc2)C[C@@H]1O ZINC001219344834 802315179 /nfs/dbraw/zinc/31/51/79/802315179.db2.gz XLFWJAORRLQCET-UVWGOUGDSA-N 0 3 314.429 2.217 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](O)C1 ZINC001219567893 802347215 /nfs/dbraw/zinc/34/72/15/802347215.db2.gz JKUHBMQCFMSJIY-MCIONIFRSA-N 0 3 308.447 2.186 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCCC=C)C[C@@H]2O)CCC1 ZINC001219785065 802379998 /nfs/dbraw/zinc/37/99/98/802379998.db2.gz BZVJWWMUSXDYKG-SJORKVTESA-N 0 3 318.461 2.088 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001219969939 802397026 /nfs/dbraw/zinc/39/70/26/802397026.db2.gz AJKDOMYRRQFROX-LYRGGWFBSA-N 0 3 320.433 2.334 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)[C@@H](O)C1 ZINC001220157920 802416175 /nfs/dbraw/zinc/41/61/75/802416175.db2.gz AKYLXMIWQPEVIX-UPJWGTAASA-N 0 3 324.387 2.317 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220436550 802460608 /nfs/dbraw/zinc/46/06/08/802460608.db2.gz ZASNEGBYRDPHHH-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCOc1ccccc1[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC001220664012 802484512 /nfs/dbraw/zinc/48/45/12/802484512.db2.gz ULHKQAXKQDSGID-SKDRFNHKSA-N 0 3 302.296 2.318 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001220821905 802502230 /nfs/dbraw/zinc/50/22/30/802502230.db2.gz KCWYNQKJYZFZRG-MAZHCROVSA-N 0 3 322.836 2.470 20 30 DEEDHN Cc1cc(C#N)cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001221400436 802566482 /nfs/dbraw/zinc/56/64/82/802566482.db2.gz OAUMXZDTUUYZLK-SFHVURJKSA-N 0 3 305.381 2.311 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221442930 802574145 /nfs/dbraw/zinc/57/41/45/802574145.db2.gz CGHNGFWCOFTIAB-IAGOWNOFSA-N 0 3 304.434 2.222 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)CC(F)F)[C@@H]2C1 ZINC001221700903 802604926 /nfs/dbraw/zinc/60/49/26/802604926.db2.gz TYMFYNQZCDMWMQ-MGPQQGTHSA-N 0 3 316.392 2.013 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2cncc(C)c2)C1 ZINC001222067619 802636939 /nfs/dbraw/zinc/63/69/39/802636939.db2.gz KTUOOIOFXNNPPY-DOTOQJQBSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001222068754 802637244 /nfs/dbraw/zinc/63/72/44/802637244.db2.gz XIFZXRHLGKGKOR-KGLIPLIRSA-N 0 3 323.462 2.123 20 30 DEEDHN C#CCCCC(=O)NCC1CCN(CCc2ccns2)CC1 ZINC001223013127 802758730 /nfs/dbraw/zinc/75/87/30/802758730.db2.gz RWORSQQVKBMJLJ-UHFFFAOYSA-N 0 3 319.474 2.317 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)COCc3ccccc3)C[C@@H]21 ZINC001224112052 802836818 /nfs/dbraw/zinc/83/68/18/802836818.db2.gz YXRDTQGMWGCYSJ-MSOLQXFVSA-N 0 3 314.429 2.312 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cc(C)ccc2F)CC1 ZINC001225228544 802945611 /nfs/dbraw/zinc/94/56/11/802945611.db2.gz PLMVTAGQOLPRBP-UHFFFAOYSA-N 0 3 302.393 2.138 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(C)C ZINC001225275994 802949540 /nfs/dbraw/zinc/94/95/40/802949540.db2.gz XNKJGRSBVJKHSM-ARFHVFGLSA-N 0 3 323.481 2.130 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2cccc(F)c2)CC1 ZINC001225349861 802957357 /nfs/dbraw/zinc/95/73/57/802957357.db2.gz WULBXYADSVFKOU-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001225396151 802960521 /nfs/dbraw/zinc/96/05/21/802960521.db2.gz ZVFAKRVFXULERH-NILFDRSVSA-N 0 3 320.824 2.412 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(CCOC)CCCC2)CC1 ZINC001225618051 802991505 /nfs/dbraw/zinc/99/15/05/802991505.db2.gz RNWQKGAPEGIOLA-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](OC)C1CC1 ZINC001225993669 803039163 /nfs/dbraw/zinc/03/91/63/803039163.db2.gz DJSKKIYRFKPYCP-MGPQQGTHSA-N 0 3 300.830 2.181 20 30 DEEDHN Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C#CC(C)C ZINC001226073346 803049418 /nfs/dbraw/zinc/04/94/18/803049418.db2.gz OBYSOACJUUZXQN-HZPDHXFCSA-N 0 3 303.406 2.159 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(C)c3C#N)C[C@H]1N2C ZINC001226920388 803175876 /nfs/dbraw/zinc/17/58/76/803175876.db2.gz QFTVJMLWJIKVQL-KMCQBPLKSA-N 0 3 314.385 2.412 20 30 DEEDHN C#CCCCCC(=O)NC1CCN(CCOC2CCC2)CC1 ZINC001226951945 803181385 /nfs/dbraw/zinc/18/13/85/803181385.db2.gz OOCKPOCMXOHYOM-UHFFFAOYSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc3occc3[nH]2)CC1 ZINC001227588698 803256386 /nfs/dbraw/zinc/25/63/86/803256386.db2.gz SUOYLNVEYBGWKJ-UHFFFAOYSA-N 0 3 317.389 2.158 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cccn2CC=C)CC1 ZINC001227816903 803284331 /nfs/dbraw/zinc/28/43/31/803284331.db2.gz HTRNKUFKIVWKSP-UHFFFAOYSA-N 0 3 317.433 2.071 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001228074500 803316701 /nfs/dbraw/zinc/31/67/01/803316701.db2.gz IXVJOSVPPWMLOE-YQQAZPJKSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001228234982 803333908 /nfs/dbraw/zinc/33/39/08/803333908.db2.gz TVRJRQPTHHVIFW-HZPDHXFCSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCCCC(=O)NC1CCN(CCOC2CCC2)CC1 ZINC001228770309 803408361 /nfs/dbraw/zinc/40/83/61/803408361.db2.gz HUCJTNOKTNMDOW-UHFFFAOYSA-N 0 3 306.450 2.330 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccccc1O)NCC#Cc1ccccc1 ZINC001331391742 1149435226 /nfs/dbraw/zinc/43/52/26/1149435226.db2.gz ZFWZMGWGFMISKG-INIZCTEOSA-N 0 3 322.408 2.494 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cn[nH]c2)CCCC[C@H]1C ZINC001419363036 1168423785 /nfs/dbraw/zinc/42/37/85/1168423785.db2.gz FPWCOYJNKPEWEH-IAQYHMDHSA-N 0 3 310.829 2.431 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001370289185 1149480258 /nfs/dbraw/zinc/48/02/58/1149480258.db2.gz HPQXGYCGBYNZMS-DZGCQCFKSA-N 0 3 320.412 2.418 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C(C)(C)C1 ZINC001328101445 1148720814 /nfs/dbraw/zinc/72/08/14/1148720814.db2.gz FWJBGNFARDOEEU-CABCVRRESA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)N1CCCCC1 ZINC001331544987 1149522313 /nfs/dbraw/zinc/52/23/13/1149522313.db2.gz SDPHBYPHLWBAMW-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C(C)C)CCC1 ZINC001331547745 1149525966 /nfs/dbraw/zinc/52/59/66/1149525966.db2.gz ORYJZEFZWMUFBG-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001370316036 1149527365 /nfs/dbraw/zinc/52/73/65/1149527365.db2.gz CMOSJYITXXFZNF-LSDHHAIUSA-N 0 3 315.889 2.250 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2cnccc2C)nc1 ZINC001331617645 1149559066 /nfs/dbraw/zinc/55/90/66/1149559066.db2.gz WAQZNTAOSCTFFI-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CN(CCCC)C2)CC1 ZINC001328129963 1148727591 /nfs/dbraw/zinc/72/75/91/1148727591.db2.gz PYHIACQQUIOBMX-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CC1CC[NH+](Cc2cc(-c3nnn[n-]3)ccc2N(C)C)CC1 ZINC001573316588 947277114 /nfs/dbraw/zinc/27/71/14/947277114.db2.gz WYQNREFJWSTILY-UHFFFAOYSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC1CC[NH+](Cc2cc(-c3nn[n-]n3)ccc2N(C)C)CC1 ZINC001573316588 947277124 /nfs/dbraw/zinc/27/71/24/947277124.db2.gz WYQNREFJWSTILY-UHFFFAOYSA-N 0 3 312.421 2.331 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC001574963513 1069310058 /nfs/dbraw/zinc/31/00/58/1069310058.db2.gz WCIZAXJBSRFDCM-NVXWUHKLSA-N 0 3 302.393 2.490 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)C[C@@H](C)C#N ZINC001343699165 1150764803 /nfs/dbraw/zinc/76/48/03/1150764803.db2.gz XNBGBIHIILMRKF-LSDHHAIUSA-N 0 3 316.453 2.259 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC001574971161 1069315306 /nfs/dbraw/zinc/31/53/06/1069315306.db2.gz BEUIUYHYALBQFX-INIZCTEOSA-N 0 3 311.385 2.049 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCCCOc1cccc(F)c1 ZINC001345636524 1150900709 /nfs/dbraw/zinc/90/07/09/1150900709.db2.gz GHOJVOYAFCSWPB-HNNXBMFYSA-N 0 3 307.369 2.122 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(F)F ZINC001331855102 1149728831 /nfs/dbraw/zinc/72/88/31/1149728831.db2.gz YVXQHWDAPNVJNK-HIFRSBDPSA-N 0 3 306.356 2.272 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)C2CC2)C1 ZINC001368471668 1148458474 /nfs/dbraw/zinc/45/84/74/1148458474.db2.gz YIVPPGBIBRCTAF-GMXVVIOVSA-N 0 3 315.255 2.426 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCC[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001575065036 1069353515 /nfs/dbraw/zinc/35/35/15/1069353515.db2.gz CRTBSPTZJPHRKD-OAHLLOKOSA-N 0 3 319.453 2.268 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCC[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575065036 1069353529 /nfs/dbraw/zinc/35/35/29/1069353529.db2.gz CRTBSPTZJPHRKD-OAHLLOKOSA-N 0 3 319.453 2.268 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCCC[C@H]1CNCc1c[nH]nn1 ZINC001575078222 1069360054 /nfs/dbraw/zinc/36/00/54/1069360054.db2.gz HPGXPEGTRAZTSH-INIZCTEOSA-N 0 3 317.437 2.044 20 30 DEEDHN C[C@H]1Cc2cc(CNC(=O)[C@H](N)CCCCC#N)ccc2O1 ZINC001522855087 1069485827 /nfs/dbraw/zinc/48/58/27/1069485827.db2.gz FCDIHFQBOBYCQO-SWLSCSKDSA-N 0 3 301.390 2.037 20 30 DEEDHN C=C1CCC(C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC001602775073 1069751553 /nfs/dbraw/zinc/75/15/53/1069751553.db2.gz FSOXLGKXGPYKHX-UHFFFAOYSA-N 0 3 323.404 2.350 20 30 DEEDHN C=C1CCC(C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC001602775073 1069751558 /nfs/dbraw/zinc/75/15/58/1069751558.db2.gz FSOXLGKXGPYKHX-UHFFFAOYSA-N 0 3 323.404 2.350 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NC(=O)CN(CC)CC)CC1 ZINC001350905554 1151424456 /nfs/dbraw/zinc/42/44/56/1151424456.db2.gz DMZMTFGBALEAMG-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc(C)cs2)CC1 ZINC001328530213 1148807056 /nfs/dbraw/zinc/80/70/56/1148807056.db2.gz OCJSCETYUVHLPH-UHFFFAOYSA-N 0 3 308.447 2.189 20 30 DEEDHN CCCCCCC[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604175689 1070264451 /nfs/dbraw/zinc/26/44/51/1070264451.db2.gz ALWBIRDCBYXMLB-OAHLLOKOSA-N 0 3 303.410 2.460 20 30 DEEDHN CCCCCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604175689 1070264465 /nfs/dbraw/zinc/26/44/65/1070264465.db2.gz ALWBIRDCBYXMLB-OAHLLOKOSA-N 0 3 303.410 2.460 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001526575084 1070310737 /nfs/dbraw/zinc/31/07/37/1070310737.db2.gz NWLKTTVNFFPEHZ-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001526575085 1070311012 /nfs/dbraw/zinc/31/10/12/1070311012.db2.gz NWLKTTVNFFPEHZ-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCOC[C@@H](O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC001251836249 1142519145 /nfs/dbraw/zinc/51/91/45/1142519145.db2.gz WVTAFCDFYAMZSS-LBPRGKRZSA-N 0 3 302.201 2.436 20 30 DEEDHN CC(F)(F)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001369124219 1148853511 /nfs/dbraw/zinc/85/35/11/1148853511.db2.gz WDUSPXXRDQPTRL-QKDCVEJESA-N 0 3 319.355 2.007 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H](C)CN1CCOCC1 ZINC001459403178 1058157919 /nfs/dbraw/zinc/15/79/19/1058157919.db2.gz HEZNSYQNJGGMQJ-INIZCTEOSA-N 0 3 304.409 2.229 20 30 DEEDHN C#CCN(C(=O)CC1(O)CCC1)C1CCN(CC=C(C)C)CC1 ZINC001500038129 1058445890 /nfs/dbraw/zinc/44/58/90/1058445890.db2.gz VJWQIPXCLGUMNY-UHFFFAOYSA-N 0 3 318.461 2.184 20 30 DEEDHN C#CCN(C(=O)c1ccn(C)c1CC)C1CCN(CC=C)CC1 ZINC001500047467 1058449833 /nfs/dbraw/zinc/44/98/33/1058449833.db2.gz PYBUKITVZJIGFJ-UHFFFAOYSA-N 0 3 313.445 2.313 20 30 DEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2occ3c2CCC3)CC1 ZINC001500043325 1058450017 /nfs/dbraw/zinc/45/00/17/1058450017.db2.gz KCPMIYSYJJEJLW-UHFFFAOYSA-N 0 3 324.424 2.331 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001500276332 1058662109 /nfs/dbraw/zinc/66/21/09/1058662109.db2.gz ZDQSORNGJBFBIH-DOTOQJQBSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCc2ccc(OC)cc2)C1 ZINC001500287492 1058669416 /nfs/dbraw/zinc/66/94/16/1058669416.db2.gz VJPOAIDZYKWJJN-SFHVURJKSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC001500457219 1058803176 /nfs/dbraw/zinc/80/31/76/1058803176.db2.gz FGBLPRUQKYWUFR-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001500481530 1058834168 /nfs/dbraw/zinc/83/41/68/1058834168.db2.gz FHRLNZIOOBKOHG-AEFFLSMTSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001500515352 1058883253 /nfs/dbraw/zinc/88/32/53/1058883253.db2.gz PFLMFCZGZJRQJF-AEFFLSMTSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)CCCc2ccsc2)C1 ZINC001500689281 1059015522 /nfs/dbraw/zinc/01/55/22/1059015522.db2.gz HFNRTRXADOFWKC-KRWDZBQOSA-N 0 3 322.474 2.200 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)CCc2ccc(Cl)cc2)C1 ZINC001500703541 1059023795 /nfs/dbraw/zinc/02/37/95/1059023795.db2.gz CJFJHZTZVYSNBM-KRWDZBQOSA-N 0 3 322.836 2.012 20 30 DEEDHN CN(C)Cc1cccc(NC(=O)c2cccc(C#CCO)c2)c1 ZINC001463870136 1059038284 /nfs/dbraw/zinc/03/82/84/1059038284.db2.gz RJJLURTWJNXVAE-UHFFFAOYSA-N 0 3 308.381 2.344 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001501625721 1059582283 /nfs/dbraw/zinc/58/22/83/1059582283.db2.gz PVUHAUPRLHXHMJ-HUUCEWRRSA-N 0 3 324.856 2.415 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2CCC=CCC2)CCC1 ZINC001502028360 1059880818 /nfs/dbraw/zinc/88/08/18/1059880818.db2.gz YSFYGFGDEKBGAL-UHFFFAOYSA-N 0 3 304.434 2.011 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2(CC(C)C)CCCC2)CCO1 ZINC001502080809 1059913719 /nfs/dbraw/zinc/91/37/19/1059913719.db2.gz FGCNITGJPMRQPF-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001502100199 1059928008 /nfs/dbraw/zinc/92/80/08/1059928008.db2.gz XXIFZRFTEDLRLU-SJORKVTESA-N 0 3 307.482 2.217 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1COc2ccccc2C1 ZINC001502351827 1060065172 /nfs/dbraw/zinc/06/51/72/1060065172.db2.gz KYDRPVUPOAJLIZ-KRWDZBQOSA-N 0 3 314.429 2.041 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001502357440 1060067601 /nfs/dbraw/zinc/06/76/01/1060067601.db2.gz VUJUPDOUSOFGCP-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC001470350835 1060087789 /nfs/dbraw/zinc/08/77/89/1060087789.db2.gz DEPLHFBIOBMHNC-ZGRYLRDCSA-N 0 3 305.466 2.456 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1cccc(CC)c1 ZINC001502395374 1060107246 /nfs/dbraw/zinc/10/72/46/1060107246.db2.gz UHAVQXLBLVSSHE-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN CC[C@@H](C)CC(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001502541632 1060169920 /nfs/dbraw/zinc/16/99/20/1060169920.db2.gz QOQMZEJKVZDAQY-MJGOQNOKSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H](CCC)OCC)C(C)(C)C1 ZINC001502831495 1060340883 /nfs/dbraw/zinc/34/08/83/1060340883.db2.gz AYKLYOJNUVICGV-HOTGVXAUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)CCCCC)CC2)C1 ZINC001502840328 1060351370 /nfs/dbraw/zinc/35/13/70/1060351370.db2.gz IHBMLWDMYNLMFL-UHFFFAOYSA-N 0 3 307.482 2.361 20 30 DEEDHN C=C/C(C)=C\CC(=O)N1CCC(O)(CNCC(=C)Cl)CC1 ZINC001502881576 1060367161 /nfs/dbraw/zinc/36/71/61/1060367161.db2.gz DAZOUOQNOFOQJZ-ACAGNQJTSA-N 0 3 312.841 2.204 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001502890926 1060368477 /nfs/dbraw/zinc/36/84/77/1060368477.db2.gz IGTXXJCENSCLBS-JSGCOSHPSA-N 0 3 316.873 2.364 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(CCOCC(C)C)[C@H](C)C1 ZINC001502923413 1060398032 /nfs/dbraw/zinc/39/80/32/1060398032.db2.gz QLFXQMNGUDOEPP-SJORKVTESA-N 0 3 308.466 2.288 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CC2(C(F)(F)F)CC2)C[C@@H]1C ZINC001502932634 1060398540 /nfs/dbraw/zinc/39/85/40/1060398540.db2.gz GHEKMCHDZCPFGO-RYUDHWBXSA-N 0 3 302.340 2.321 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](C)OC)CC1 ZINC001505394874 1060521510 /nfs/dbraw/zinc/52/15/10/1060521510.db2.gz RDEFJKOFZQQTFS-ZDUSSCGKSA-N 0 3 302.846 2.334 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)Cc1ccsc1 ZINC001505419517 1060560520 /nfs/dbraw/zinc/56/05/20/1060560520.db2.gz PYTJSHFEEPSZIV-MRXNPFEDSA-N 0 3 322.474 2.416 20 30 DEEDHN COCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001505565895 1060718422 /nfs/dbraw/zinc/71/84/22/1060718422.db2.gz MTDJUKSIWNADJX-CABCVRRESA-N 0 3 320.408 2.087 20 30 DEEDHN C[C@@H](NC(=O)Cc1ccco1)[C@H](C)NCC#Cc1ccccc1 ZINC001505713108 1060894241 /nfs/dbraw/zinc/89/42/41/1060894241.db2.gz JNVDRGLWNBNRLN-JKSUJKDBSA-N 0 3 310.397 2.357 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2ccccc2OC)C1 ZINC001369179791 1148862468 /nfs/dbraw/zinc/86/24/68/1148862468.db2.gz NKWSYRANHNGCTP-CTYIDZIISA-N 0 3 322.836 2.475 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1c(C)n[nH]c1C ZINC001479264740 1061344488 /nfs/dbraw/zinc/34/44/88/1061344488.db2.gz LPMKTWPMSAKIJS-OAHLLOKOSA-N 0 3 304.438 2.068 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CCN1CC[C@@H](C)F ZINC001479263902 1061347054 /nfs/dbraw/zinc/34/70/54/1061347054.db2.gz ODGIPIRILJFLTM-QAPCUYQASA-N 0 3 316.420 2.491 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001479297370 1061372145 /nfs/dbraw/zinc/37/21/45/1061372145.db2.gz HDLXFOJNTPVNDJ-BNOWGMLFSA-N 0 3 319.453 2.261 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001479383741 1061428716 /nfs/dbraw/zinc/42/87/16/1061428716.db2.gz AJMVOBLDPFZNQM-UBHSHLNASA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNCc1ccn(C)n1 ZINC001479513141 1061482956 /nfs/dbraw/zinc/48/29/56/1061482956.db2.gz SUUWJHRXCSBIKF-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1cc(C)no1 ZINC001479731572 1061651574 /nfs/dbraw/zinc/65/15/74/1061651574.db2.gz AUBBMZXSGLPMJQ-HNNXBMFYSA-N 0 3 321.421 2.112 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)CC(F)(F)F ZINC001479733299 1061655123 /nfs/dbraw/zinc/65/51/23/1061655123.db2.gz MYQVKDDUVABIOU-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN Cc1nc(CN[C@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)co1 ZINC001506158505 1061694573 /nfs/dbraw/zinc/69/45/73/1061694573.db2.gz HYKRRLQSIPPYPC-SWLSCSKDSA-N 0 3 306.410 2.105 20 30 DEEDHN CC#CCN(CCCNC(=O)c1c(C)nsc1C)C1CC1 ZINC001479880955 1061982849 /nfs/dbraw/zinc/98/28/49/1061982849.db2.gz NFIQAFGFMGRDNE-UHFFFAOYSA-N 0 3 305.447 2.368 20 30 DEEDHN CO[C@H](CN1CCC[C@@H](NC(=O)C#CC(C)C)C1)C1CCC1 ZINC001479903082 1062021420 /nfs/dbraw/zinc/02/14/20/1062021420.db2.gz IVIOBOAOKXCOMP-IAGOWNOFSA-N 0 3 306.450 2.042 20 30 DEEDHN Cc1ccc(CN2CC[C@H](NC(=O)CSCC#N)C2)c(C)c1 ZINC001479945125 1062078156 /nfs/dbraw/zinc/07/81/56/1062078156.db2.gz MSEJZPVQTIFXRJ-INIZCTEOSA-N 0 3 317.458 2.251 20 30 DEEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001479953223 1062099262 /nfs/dbraw/zinc/09/92/62/1062099262.db2.gz GMSLLCNRSNIAPC-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001479988937 1062152359 /nfs/dbraw/zinc/15/23/59/1062152359.db2.gz WLLDLJFFEGULHU-BTKRWWFXSA-N 0 3 312.841 2.302 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cnn(C(C)(C)C)c2)C1 ZINC001480106840 1062335377 /nfs/dbraw/zinc/33/53/77/1062335377.db2.gz MFHGIEILUBLQNM-HNNXBMFYSA-N 0 3 304.438 2.295 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001480130863 1062364258 /nfs/dbraw/zinc/36/42/58/1062364258.db2.gz FKJGGYIXCUIKPX-XDTLVQLUSA-N 0 3 309.772 2.376 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1ncccc1F ZINC001480163613 1062414192 /nfs/dbraw/zinc/41/41/92/1062414192.db2.gz GSGGMUDAGCPULS-WKILWMFISA-N 0 3 323.371 2.123 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1cc(C#N)ccc1F ZINC001506913446 1062510943 /nfs/dbraw/zinc/51/09/43/1062510943.db2.gz DRZMYVXXGHWJJC-CHWSQXEVSA-N 0 3 316.380 2.232 20 30 DEEDHN C[C@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@@H](C)C#N ZINC001506915379 1062514242 /nfs/dbraw/zinc/51/42/42/1062514242.db2.gz YNUOPWFQAPDZDT-VHSXEESVSA-N 0 3 314.842 2.331 20 30 DEEDHN C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001506920368 1062524933 /nfs/dbraw/zinc/52/49/33/1062524933.db2.gz ILEKVHUMBHYCFC-GFCCVEGCSA-N 0 3 301.394 2.022 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)Cc2cc(C)ncn2)CC1 ZINC001506956121 1062589721 /nfs/dbraw/zinc/58/97/21/1062589721.db2.gz QDQMJNIMKJJGKB-UHFFFAOYSA-N 0 3 302.422 2.174 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001480325567 1062652191 /nfs/dbraw/zinc/65/21/91/1062652191.db2.gz WRQOASYNIFLVDS-GDBMZVCRSA-N 0 3 304.438 2.070 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCCn1nc(C)cc1C ZINC001480328144 1062661643 /nfs/dbraw/zinc/66/16/43/1062661643.db2.gz OBYPPDDWLJSYSZ-KRWDZBQOSA-N 0 3 318.465 2.437 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2occc2C)C1 ZINC001480371703 1062730275 /nfs/dbraw/zinc/73/02/75/1062730275.db2.gz DNRDGSPEPHMVRX-CVEARBPZSA-N 0 3 318.417 2.068 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)COCC2CCCC2)C1 ZINC001480379610 1062755827 /nfs/dbraw/zinc/75/58/27/1062755827.db2.gz KQOZHCBFMPXDGS-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC001480381306 1062758488 /nfs/dbraw/zinc/75/84/88/1062758488.db2.gz BKRYXDNEQUHUEX-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001480385895 1062772026 /nfs/dbraw/zinc/77/20/26/1062772026.db2.gz FSPJMRHLBOXTFB-LSDHHAIUSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccsn1)NCC#Cc1ccccc1 ZINC001507084424 1062800016 /nfs/dbraw/zinc/80/00/16/1062800016.db2.gz ACAAOZZFENJMNQ-AWEZNQCLSA-N 0 3 313.426 2.245 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccncc1C(F)(F)F ZINC001507144460 1062911265 /nfs/dbraw/zinc/91/12/65/1062911265.db2.gz ZXEHSLWIDQVJKW-NSHDSACASA-N 0 3 313.323 2.174 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C12CCC(CC1)CC2 ZINC001507158559 1062932076 /nfs/dbraw/zinc/93/20/76/1062932076.db2.gz CGGSCRHEKMKBMT-HJOIGYKYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2n[nH]c(C)n2)CCCC1 ZINC001507166537 1062943359 /nfs/dbraw/zinc/94/33/59/1062943359.db2.gz UUJYBVSXSYCIQN-ZDUSSCGKSA-N 0 3 319.453 2.186 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001480522468 1062983802 /nfs/dbraw/zinc/98/38/02/1062983802.db2.gz RZSMEJSEVGSSRO-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H](C)NC/C=C\Cl ZINC001480570976 1063052990 /nfs/dbraw/zinc/05/29/90/1063052990.db2.gz XZMFRVUSULOUOA-SMYYYNMVSA-N 0 3 309.797 2.107 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCOc2ccccc2CC)C1 ZINC001507331525 1063107962 /nfs/dbraw/zinc/10/79/62/1063107962.db2.gz LOWWPYJRMPRYJK-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN CCCC[C@H](C(=O)N1CC[C@H](NCC#CCOC)C1)C(C)C ZINC001480624781 1063120290 /nfs/dbraw/zinc/12/02/90/1063120290.db2.gz UFJXUROMFAZYGJ-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)[C@@H](C)SC)CCC[C@H]12 ZINC001507341572 1063126271 /nfs/dbraw/zinc/12/62/71/1063126271.db2.gz PHOAFIIKUBHGBR-IJEWVQPXSA-N 0 3 312.479 2.054 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@]12CCC[C@H]1N(CC#CC)CC2)OCC ZINC001507344666 1063131000 /nfs/dbraw/zinc/13/10/00/1063131000.db2.gz LCXXKJVTTUSYEM-SCTDSRPQSA-N 0 3 318.461 2.494 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(NC(=O)CCc3cnc[nH]3)CCC[C@@H]12 ZINC001507357145 1063150328 /nfs/dbraw/zinc/15/03/28/1063150328.db2.gz PSKKJJQZCVOIQO-ZBFHGGJFSA-N 0 3 322.840 2.208 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC=C)CCOCC2)[C@@H]1C ZINC001507388592 1063214346 /nfs/dbraw/zinc/21/43/46/1063214346.db2.gz WPCGMHLZKSOMDF-IRXDYDNUSA-N 0 3 318.461 2.352 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cnc(C3CC3)o2)C1 ZINC001480729215 1063261982 /nfs/dbraw/zinc/26/19/82/1063261982.db2.gz CKNLXRJYUASXNN-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H](O)CN[C@H](C)c1ccccc1F ZINC001507477343 1063317681 /nfs/dbraw/zinc/31/76/81/1063317681.db2.gz OGSQSWJENZCUQZ-CABCVRRESA-N 0 3 320.408 2.099 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CNCc1ccccc1F ZINC001507501752 1063329329 /nfs/dbraw/zinc/32/93/29/1063329329.db2.gz ROLRVPOPUMMOAQ-YJBOKZPZSA-N 0 3 322.424 2.337 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](NC(=O)/C=C(\C)CC)C(C)(C)C ZINC001507931996 1063471498 /nfs/dbraw/zinc/47/14/98/1063471498.db2.gz IPOVVUXIIWZZOL-TZLBIFBXSA-N 0 3 323.481 2.154 20 30 DEEDHN Cc1cccc(OCCN2CCC[C@H]2CNC(=O)[C@H](C)C#N)c1 ZINC001493085679 1063550645 /nfs/dbraw/zinc/55/06/45/1063550645.db2.gz IQCVACXZMKYKKS-CVEARBPZSA-N 0 3 315.417 2.114 20 30 DEEDHN CC#CCCCC(=O)N(C)C1CC(N[C@@H](C)c2cnccn2)C1 ZINC001508127617 1063569685 /nfs/dbraw/zinc/56/96/85/1063569685.db2.gz 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/nfs/dbraw/zinc/87/32/00/1063873200.db2.gz IUHXRHJPCMCGLA-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)C(=O)C(C)(C)N(C)CC ZINC001508893166 1063896670 /nfs/dbraw/zinc/89/66/70/1063896670.db2.gz PGQUWCUTZUIJFF-AWEZNQCLSA-N 0 3 311.470 2.036 20 30 DEEDHN CO[C@@H](C)C(=O)NCCCN(Cc1ccccc1C#N)C(C)C ZINC001493856678 1063997309 /nfs/dbraw/zinc/99/73/09/1063997309.db2.gz AWVGAXBPUMBOTG-HNNXBMFYSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCO[C@H]1CC)c1ccccc1 ZINC001493894254 1064014352 /nfs/dbraw/zinc/01/43/52/1064014352.db2.gz ZBEQCOCOCDHINM-IKGGRYGDSA-N 0 3 302.418 2.435 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)C[C@H]1CCOC1)c1ccccc1 ZINC001493899100 1064015821 /nfs/dbraw/zinc/01/58/21/1064015821.db2.gz XUYKPPBUAWAFKQ-WBVHZDCISA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cc1c(C)noc1C)c1ccccc1 ZINC001493905626 1064017939 /nfs/dbraw/zinc/01/79/39/1064017939.db2.gz VTLGXAWKRXQGTG-KRWDZBQOSA-N 0 3 313.401 2.467 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2c(C)ccn2C)C1 ZINC001493943453 1064033501 /nfs/dbraw/zinc/03/35/01/1064033501.db2.gz BNXKGQOEJCVMNV-MRXNPFEDSA-N 0 3 301.434 2.283 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2c(C)noc2C)C1 ZINC001493978709 1064057399 /nfs/dbraw/zinc/05/73/99/1064057399.db2.gz TUEWEIIKVGIBCJ-MRXNPFEDSA-N 0 3 317.433 2.170 20 30 DEEDHN N#Cc1cc(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)c[nH]1 ZINC001494009195 1064078779 /nfs/dbraw/zinc/07/87/79/1064078779.db2.gz QQMFIYCAHZORBW-GEIFVHNQSA-N 0 3 306.797 2.081 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001494092110 1064121241 /nfs/dbraw/zinc/12/12/41/1064121241.db2.gz JTUULWCIMNTDFW-ZWKOTPCHSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001494092102 1064121332 /nfs/dbraw/zinc/12/13/32/1064121332.db2.gz JTUULWCIMNTDFW-MSOLQXFVSA-N 0 3 321.509 2.465 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001567320041 1064143574 /nfs/dbraw/zinc/14/35/74/1064143574.db2.gz 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C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1CC ZINC001567861910 1064468516 /nfs/dbraw/zinc/46/85/16/1064468516.db2.gz AURIYKFJHOXOGX-JYJNAYRXSA-N 0 3 316.449 2.465 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC001567882741 1064481553 /nfs/dbraw/zinc/48/15/53/1064481553.db2.gz BGDPJJFMYSLOGP-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)[C@H]2CCN(CCC#C)C2)cc1 ZINC001567911875 1064507243 /nfs/dbraw/zinc/50/72/43/1064507243.db2.gz QUWADGIQNLISEL-SFHVURJKSA-N 0 3 324.424 2.258 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001494852106 1064514756 /nfs/dbraw/zinc/51/47/56/1064514756.db2.gz JRIQNBIINVTLJE-CVEARBPZSA-N 0 3 317.433 2.341 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC(F)(F)C(F)F)C1 ZINC001494910049 1064566816 /nfs/dbraw/zinc/56/68/16/1064566816.db2.gz LJSXTZTVRCDKNA-LLVKDONJSA-N 0 3 308.319 2.223 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)C=C1CCCCC1 ZINC001494950123 1064605101 /nfs/dbraw/zinc/60/51/01/1064605101.db2.gz 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/nfs/dbraw/zinc/72/88/79/1064728879.db2.gz SVIFOMDPKJKHHY-INIZCTEOSA-N 0 3 320.477 2.428 20 30 DEEDHN C=CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)CC(C)(C)CC)C1=O ZINC001568275227 1064745615 /nfs/dbraw/zinc/74/56/15/1064745615.db2.gz YMGVWXHPMUDLKD-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)CCCc1ccsc1 ZINC001568279825 1064749785 /nfs/dbraw/zinc/74/97/85/1064749785.db2.gz TVYOZBDUMWBGPD-OAHLLOKOSA-N 0 3 322.474 2.157 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ncccc2OC)CCCC1 ZINC001495204945 1064761223 /nfs/dbraw/zinc/76/12/23/1064761223.db2.gz MXHCWRLZILASKB-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001568309833 1064768963 /nfs/dbraw/zinc/76/89/63/1064768963.db2.gz UTTPLHZKXPSVIJ-GFCCVEGCSA-N 0 3 322.371 2.051 20 30 DEEDHN C=C[C@@H](C(=O)N(C)[C@H](C)CNCC#CCOC)c1ccccc1 ZINC001568320871 1064776756 /nfs/dbraw/zinc/77/67/56/1064776756.db2.gz QDIVEQKPIRUGQZ-SJLPKXTDSA-N 0 3 314.429 2.043 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001568357300 1064802446 /nfs/dbraw/zinc/80/24/46/1064802446.db2.gz FTZXHUCDSAUEEF-TZMCWYRMSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001495356814 1064858130 /nfs/dbraw/zinc/85/81/30/1064858130.db2.gz PIYNHNJFFMURQJ-CYBMUJFWSA-N 0 3 320.824 2.471 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(NC(C)=O)ccc1F ZINC001568551762 1064958882 /nfs/dbraw/zinc/95/88/82/1064958882.db2.gz RYCWJRZUYCAQNN-UHFFFAOYSA-N 0 3 321.396 2.364 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001568671829 1065038845 /nfs/dbraw/zinc/03/88/45/1065038845.db2.gz BLFSKMFGOWTMKZ-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC001618814398 1078159244 /nfs/dbraw/zinc/15/92/44/1078159244.db2.gz VKUKAUDOGREFIC-QGZVFWFLSA-N 0 3 315.417 2.470 20 30 DEEDHN Cc1cc(CNC/C=C\CNC(=O)c2ccc(C#N)[nH]2)cs1 ZINC001568838204 1065147914 /nfs/dbraw/zinc/14/79/14/1065147914.db2.gz 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C=CCC(C)(C)C(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NCCC ZINC001569557478 1065592604 /nfs/dbraw/zinc/59/26/04/1065592604.db2.gz YYDLMAKBQNVRPM-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)Cc2c[nH]c3ncccc23)CC1 ZINC001569578897 1065605548 /nfs/dbraw/zinc/60/55/48/1065605548.db2.gz WFSBYQRGZVDWIS-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H](OC)C1)C1CCN(CC=C)CC1 ZINC001569591517 1065612564 /nfs/dbraw/zinc/61/25/64/1065612564.db2.gz PUMAXZRRJQRYBK-SJLPKXTDSA-N 0 3 318.461 2.304 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CNCc1n[nH]c(C)n1)C1CCCC1 ZINC001569604381 1065618171 /nfs/dbraw/zinc/61/81/71/1065618171.db2.gz RBECITYJLVTLTR-HNNXBMFYSA-N 0 3 319.453 2.234 20 30 DEEDHN C=CCCC(=O)N[C@]1(C)CCN(C[C@@H](O)c2ccccc2)C1 ZINC001569632708 1065636117 /nfs/dbraw/zinc/63/61/17/1065636117.db2.gz XZZJLZJJPVJHFW-SJLPKXTDSA-N 0 3 302.418 2.267 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001569641379 1065642047 /nfs/dbraw/zinc/64/20/47/1065642047.db2.gz 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C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNCc1nccn1C ZINC001498491540 1066742873 /nfs/dbraw/zinc/74/28/73/1066742873.db2.gz PXHSSPSQPCNISJ-GJZGRUSLSA-N 0 3 318.465 2.397 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCNCc1ccn(C(C)C)n1 ZINC001498541325 1066771135 /nfs/dbraw/zinc/77/11/35/1066771135.db2.gz HJCXOPCSNNYXDK-UHFFFAOYSA-N 0 3 304.438 2.062 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001577385175 1066829315 /nfs/dbraw/zinc/82/93/15/1066829315.db2.gz JGWAVWWCRSONQO-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCO[C@H](c2ncon2)C1 ZINC001577425909 1066840265 /nfs/dbraw/zinc/84/02/65/1066840265.db2.gz ALIKOVBGDOQYFN-KGLIPLIRSA-N 0 3 324.425 2.047 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC001577429888 1066840312 /nfs/dbraw/zinc/84/03/12/1066840312.db2.gz AHLCJJFPQDHSPY-OWCLPIDISA-N 0 3 323.481 2.334 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccnc1NC(C)C ZINC001634640824 1078434396 /nfs/dbraw/zinc/43/43/96/1078434396.db2.gz NWOWUGWKXBWIAK-UHFFFAOYSA-N 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301.184 2.280 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(Cl)cc1C ZINC001571605113 1068436577 /nfs/dbraw/zinc/43/65/77/1068436577.db2.gz MRUNLOUAWRBGHL-CQSZACIVSA-N 0 3 310.825 2.199 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccn(C)c1CC)C(C)C ZINC001571614883 1068441168 /nfs/dbraw/zinc/44/11/68/1068441168.db2.gz XBIDXLVOONIJTM-UHFFFAOYSA-N 0 3 303.450 2.393 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC001571654667 1068462731 /nfs/dbraw/zinc/46/27/31/1068462731.db2.gz JOLWIWAVOBZAEF-JEYLPNPQSA-N 0 3 321.421 2.043 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC001571658457 1068465029 /nfs/dbraw/zinc/46/50/29/1068465029.db2.gz XWQPJRFCOOWYFT-UHFFFAOYSA-N 0 3 302.422 2.220 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1coc(C(F)(F)F)n1 ZINC001267314819 1078759148 /nfs/dbraw/zinc/75/91/48/1078759148.db2.gz ORGSZWLBXMJYBG-UHFFFAOYSA-N 0 3 317.311 2.159 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc(C)cn2ccnc12)C1CC1 ZINC001267330668 1078770281 /nfs/dbraw/zinc/77/02/81/1078770281.db2.gz 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C#CCCCC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001574545242 1069237621 /nfs/dbraw/zinc/23/76/21/1069237621.db2.gz ORMDYIIKOTXZFK-HOTGVXAUSA-N 0 3 312.413 2.299 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC001574902715 1069291647 /nfs/dbraw/zinc/29/16/47/1069291647.db2.gz DLTWDJAMGZMTAM-UONOGXRCSA-N 0 3 314.788 2.312 20 30 DEEDHN C=CCOCCN1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001574943250 1069301633 /nfs/dbraw/zinc/30/16/33/1069301633.db2.gz FKYMNAKVBLRPSX-CVEARBPZSA-N 0 3 302.418 2.171 20 30 DEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001493325931 1078888769 /nfs/dbraw/zinc/88/87/69/1078888769.db2.gz UUQHRUGDHCQZFA-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2CCCC(F)(F)F ZINC001272506429 1078936480 /nfs/dbraw/zinc/93/64/80/1078936480.db2.gz MWMRCIUHZMWZGO-CQSZACIVSA-N 0 3 302.340 2.419 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc3c(c2)CCC3)C1=O ZINC001272536095 1078952095 /nfs/dbraw/zinc/95/20/95/1078952095.db2.gz UGTUSJRQZHNHJL-HXUWFJFHSA-N 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C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001565835166 1075193310 /nfs/dbraw/zinc/19/33/10/1075193310.db2.gz IKFLPABMFPKZQT-WMZOPIPTSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2cc(F)cc(F)c2)[C@H]1CC ZINC001566029922 1075217737 /nfs/dbraw/zinc/21/77/37/1075217737.db2.gz VMNOHROEZUZKBK-JKSUJKDBSA-N 0 3 324.371 2.499 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H]1C ZINC001566106592 1075230002 /nfs/dbraw/zinc/23/00/02/1075230002.db2.gz ZKSAAPAQQNRKFT-NEPJUHHUSA-N 0 3 321.446 2.006 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)CC(F)(F)F)CC1 ZINC001566605749 1075294946 /nfs/dbraw/zinc/29/49/46/1075294946.db2.gz BEZUVZDENKEYDS-UHFFFAOYSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2ccc(C)nc2)CC1 ZINC001566605116 1075295368 /nfs/dbraw/zinc/29/53/68/1075295368.db2.gz CTXINEKRUGQMIU-UHFFFAOYSA-N 0 3 317.433 2.129 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@@H]2CCN(CC/C=C\CC)C2)nn1 ZINC001566674726 1075314499 /nfs/dbraw/zinc/31/44/99/1075314499.db2.gz ACWSOOLAOCMNDU-ZQMJAJRESA-N 0 3 317.437 2.015 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001566691516 1075318857 /nfs/dbraw/zinc/31/88/57/1075318857.db2.gz OHGOGQHAEWQAEB-IAGOWNOFSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](CC)OC2CCCC2)CC1 ZINC001566692643 1075319891 /nfs/dbraw/zinc/31/98/91/1075319891.db2.gz JMJZFEJWLBSVGN-IRXDYDNUSA-N 0 3 318.461 2.328 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cncn1C)C1CC1 ZINC001566717915 1075325607 /nfs/dbraw/zinc/32/56/07/1075325607.db2.gz YMAXDGFOXJCXJN-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001566799124 1075347814 /nfs/dbraw/zinc/34/78/14/1075347814.db2.gz DSODSNBHXOAPSG-HDJSIYSDSA-N 0 3 317.433 2.429 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001566805319 1075349891 /nfs/dbraw/zinc/34/98/91/1075349891.db2.gz JFQRPEAJNYQHCL-JHJVBQTASA-N 0 3 319.453 2.267 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566848380 1075361041 /nfs/dbraw/zinc/36/10/41/1075361041.db2.gz LBCSAGSGVCYZRI-XHSDSOJGSA-N 0 3 306.356 2.162 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001566923917 1075387566 /nfs/dbraw/zinc/38/75/66/1075387566.db2.gz CPYFFHXNEFISHZ-WBVHZDCISA-N 0 3 318.465 2.461 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)COCC2CCCC2)C1 ZINC001566963591 1075401675 /nfs/dbraw/zinc/40/16/75/1075401675.db2.gz WOYCEFCNQZLXRR-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CCCC1(C(=O)N[C@H](C)[C@H]2CCCN(CC#CCOC)C2)CC1 ZINC001566966661 1075403222 /nfs/dbraw/zinc/40/32/22/1075403222.db2.gz YCKPEDMBAIROPZ-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001567024107 1075418327 /nfs/dbraw/zinc/41/83/27/1075418327.db2.gz HFSSMYMFUGKJHC-ZVZYQTTQSA-N 0 3 314.429 2.306 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001567031861 1075419907 /nfs/dbraw/zinc/41/99/07/1075419907.db2.gz DZKKBEVLCILBCC-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc2ccccc2c1 ZINC001567072022 1075427122 /nfs/dbraw/zinc/42/71/22/1075427122.db2.gz BSVDDOOYMVEYFX-HNNXBMFYSA-N 0 3 310.397 2.198 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@H](NCc2cc(C)n(C)n2)C1 ZINC001567163944 1075449532 /nfs/dbraw/zinc/44/95/32/1075449532.db2.gz IQBAPGUNKMMCTO-HOTGVXAUSA-N 0 3 316.449 2.049 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccn(CC)c2C)C1 ZINC001567196562 1075460526 /nfs/dbraw/zinc/46/05/26/1075460526.db2.gz NCQKCCGSWIYQKB-MRXNPFEDSA-N 0 3 301.434 2.376 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCOc2ccccc2C)C1 ZINC001567202017 1075462808 /nfs/dbraw/zinc/46/28/08/1075462808.db2.gz BVNGYXPPBZSSHH-KRWDZBQOSA-N 0 3 314.429 2.320 20 30 DEEDHN Cc1cc(CN2CCC[C@@H]2CCCNC(=O)[C@H](C)C#N)on1 ZINC001567246373 1075473426 /nfs/dbraw/zinc/47/34/26/1075473426.db2.gz DVUQNFOZBOJYRK-OCCSQVGLSA-N 0 3 304.394 2.004 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001267764993 1079469332 /nfs/dbraw/zinc/46/93/32/1079469332.db2.gz SSSFXIGUGVUGFX-QZTJIDSGSA-N 0 3 314.429 2.056 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)CCC(F)F ZINC001481258052 1079484176 /nfs/dbraw/zinc/48/41/76/1079484176.db2.gz BAEMXXDFTJOHNI-UHFFFAOYSA-N 0 3 301.362 2.213 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2cccnc2C)cc1 ZINC001481265094 1079490120 /nfs/dbraw/zinc/49/01/20/1079490120.db2.gz ZNXYXMIREFDWRR-UHFFFAOYSA-N 0 3 307.397 2.233 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001267779080 1079490716 /nfs/dbraw/zinc/49/07/16/1079490716.db2.gz NDJAHUCOPLYIPQ-KRWDZBQOSA-N 0 3 301.434 2.232 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001267780654 1079492642 /nfs/dbraw/zinc/49/26/42/1079492642.db2.gz SCOVUQPOPFKZAO-IRXDYDNUSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccnc(C)n2)C1 ZINC001267788246 1079496898 /nfs/dbraw/zinc/49/68/98/1079496898.db2.gz TVRJYMUYKFQZCY-KRWDZBQOSA-N 0 3 316.449 2.217 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCNC(=O)[C@H]1CCCCN1CC ZINC001580838962 1076006431 /nfs/dbraw/zinc/00/64/31/1076006431.db2.gz XCVZRLFHHXTHNK-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@](C)(NC(=O)CN(C)C(C)C)C1 ZINC001585870551 1076375514 /nfs/dbraw/zinc/37/55/14/1076375514.db2.gz MIJBCEGADHRRMV-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001586046855 1076386803 /nfs/dbraw/zinc/38/68/03/1076386803.db2.gz RMUJDYCFQCRXMV-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(C)(C)C[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588578224 1076454687 /nfs/dbraw/zinc/45/46/87/1076454687.db2.gz ZDZFMROVQJEWOW-HNNXBMFYSA-N 0 3 315.421 2.482 20 30 DEEDHN C=CCCC(C)(C)C[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588578224 1076454689 /nfs/dbraw/zinc/45/46/89/1076454689.db2.gz ZDZFMROVQJEWOW-HNNXBMFYSA-N 0 3 315.421 2.482 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001481269915 1079505937 /nfs/dbraw/zinc/50/59/37/1079505937.db2.gz OLPNXNDZNIULKR-ZSHCYNCHSA-N 0 3 315.392 2.291 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2nccn2C)C1 ZINC001484338634 1079548667 /nfs/dbraw/zinc/54/86/67/1079548667.db2.gz MEOJULURARDEJQ-HUUCEWRRSA-N 0 3 304.438 2.103 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@]2(CNCCF)CCCC[C@H]2C)c1 ZINC001267874297 1079562643 /nfs/dbraw/zinc/56/26/43/1079562643.db2.gz SJXLSJBNAAUFLI-KDOFPFPSSA-N 0 3 317.408 2.301 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCC(=O)NC1)c1ccc2ccccc2n1 ZINC001650431356 1079617827 /nfs/dbraw/zinc/61/78/27/1079617827.db2.gz PCDJXEOLUIQSIN-JSGCOSHPSA-N 0 3 307.353 2.327 20 30 DEEDHN C#CCNCCN(CCO)C(=O)c1ccccc1C(C)(C)CC ZINC001484485669 1079629247 /nfs/dbraw/zinc/62/92/47/1079629247.db2.gz RCLMONBKZDKJAI-UHFFFAOYSA-N 0 3 316.445 2.032 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)C[C@@H]1CCCCC1(C)C ZINC001484502967 1079631976 /nfs/dbraw/zinc/63/19/76/1079631976.db2.gz LNOUSZPQOKNNTJ-INIZCTEOSA-N 0 3 308.466 2.027 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cnn(C)c2C)cc1 ZINC001484560385 1079660806 /nfs/dbraw/zinc/66/08/06/1079660806.db2.gz PAVJLATXWZYBJW-AWEZNQCLSA-N 0 3 324.428 2.332 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC001484564805 1079663468 /nfs/dbraw/zinc/66/34/68/1079663468.db2.gz BWWYFFFECMVPOV-AVGNSLFASA-N 0 3 306.435 2.067 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC001484564806 1079663696 /nfs/dbraw/zinc/66/36/96/1079663696.db2.gz BWWYFFFECMVPOV-JHJVBQTASA-N 0 3 306.435 2.067 20 30 DEEDHN CC(=O)NC1CCC(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001650520140 1079687978 /nfs/dbraw/zinc/68/79/78/1079687978.db2.gz NNSLOEQGBFHDQS-KGPNIALWSA-N 0 3 321.327 2.231 20 30 DEEDHN C[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1cnn(C)c1 ZINC001650521499 1079689016 /nfs/dbraw/zinc/68/90/16/1079689016.db2.gz UTZDSNOCLMMKOY-BXKDBHETSA-N 0 3 304.300 2.463 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNC/C=C\Cl)CCOCC1 ZINC001481308911 1079702490 /nfs/dbraw/zinc/70/24/90/1079702490.db2.gz JIPHWOBJVYAUGL-YWEYNIOJSA-N 0 3 300.830 2.160 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H](CNC/C=C\Cl)C1 ZINC001484689201 1079723999 /nfs/dbraw/zinc/72/39/99/1079723999.db2.gz UPOAWJVAVSKBMJ-VIHMKRCTSA-N 0 3 312.841 2.140 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H](CC)c2ccccc2)CCO1 ZINC001484693736 1079725664 /nfs/dbraw/zinc/72/56/64/1079725664.db2.gz JFKUPZDNSSVECD-AEFFLSMTSA-N 0 3 314.429 2.021 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H](CC)c2ccccc2)CCO1 ZINC001484693738 1079725737 /nfs/dbraw/zinc/72/57/37/1079725737.db2.gz JFKUPZDNSSVECD-SJLPKXTDSA-N 0 3 314.429 2.021 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](N2CCN(CCCC)CC2)C1 ZINC001484706094 1079731991 /nfs/dbraw/zinc/73/19/91/1079731991.db2.gz ZVFCZSYEUJIMIY-GOSISDBHSA-N 0 3 319.493 2.199 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)OCC(C)C)C1 ZINC001481392419 1079776375 /nfs/dbraw/zinc/77/63/75/1079776375.db2.gz HUELKJWCGADZFD-IRXDYDNUSA-N 0 3 308.466 2.384 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C=C2CCCCC2)C1 ZINC001149281134 1079789460 /nfs/dbraw/zinc/78/94/60/1079789460.db2.gz IZQMMPGNFXFMQE-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC(C)(C)O ZINC001484823151 1079815103 /nfs/dbraw/zinc/81/51/03/1079815103.db2.gz UBHAGPNWIWBVPH-KRWDZBQOSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCC[C@H](O)CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC001651499812 1079815509 /nfs/dbraw/zinc/81/55/09/1079815509.db2.gz OUJGPAOFWMQRFM-NSHDSACASA-N 0 3 315.339 2.102 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001481422543 1079821037 /nfs/dbraw/zinc/82/10/37/1079821037.db2.gz JODXYYNGYPEPCC-SJLPKXTDSA-N 0 3 309.413 2.026 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cnn(C)c2CC)cc1 ZINC001272690832 1079823956 /nfs/dbraw/zinc/82/39/56/1079823956.db2.gz FMHDHTJPUFDSKF-AWEZNQCLSA-N 0 3 324.428 2.196 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCn2cccn2)CC1(C)C ZINC001484936801 1079868190 /nfs/dbraw/zinc/86/81/90/1079868190.db2.gz MPTIDKIVTUCKAK-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC001484947211 1079873014 /nfs/dbraw/zinc/87/30/14/1079873014.db2.gz WOHAJDYJXRUJFM-INIZCTEOSA-N 0 3 319.493 2.217 20 30 DEEDHN C#CCOc1ccc(C(=O)NCC[C@@H]2CCN(CCF)C2)cc1 ZINC001481452336 1079878640 /nfs/dbraw/zinc/87/86/40/1079878640.db2.gz MBRIQCVNDMNIQZ-OAHLLOKOSA-N 0 3 318.392 2.110 20 30 DEEDHN Cc1ccc([C@H](C)NCc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC001653077872 1079911765 /nfs/dbraw/zinc/91/17/65/1079911765.db2.gz JIRIJWDFFRWSGA-LBPRGKRZSA-N 0 3 307.357 2.466 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001481471037 1079925223 /nfs/dbraw/zinc/92/52/23/1079925223.db2.gz KEFCVFONHPOYNO-ROUUACIJSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1sc(C)nc1C ZINC001485066020 1079944389 /nfs/dbraw/zinc/94/43/89/1079944389.db2.gz UMCPEOBOHKPANB-CQSZACIVSA-N 0 3 307.463 2.411 20 30 DEEDHN CCCCOCCN(C)C[C@@H]1CCCN1C(=O)C#CC(C)C ZINC001485057676 1079949203 /nfs/dbraw/zinc/94/92/03/1079949203.db2.gz ZCNGKGNQOYJWTB-KRWDZBQOSA-N 0 3 308.466 2.385 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC001654318282 1079961785 /nfs/dbraw/zinc/96/17/85/1079961785.db2.gz RNXOQNKGTUTBHB-KRWDZBQOSA-N 0 3 320.433 2.349 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)/C(C)=C\C)C1 ZINC001485089133 1079967726 /nfs/dbraw/zinc/96/77/26/1079967726.db2.gz VYUBVKIMNFPSJQ-WTKPLQERSA-N 0 3 301.228 2.346 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ocnc2C2CC2)C1 ZINC001485102916 1079974999 /nfs/dbraw/zinc/97/49/99/1079974999.db2.gz XAVWQULCJRONJH-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C1=CCCC1 ZINC001485134156 1079992633 /nfs/dbraw/zinc/99/26/33/1079992633.db2.gz CLXKBTFBXMDNDK-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)CCc1cnn(C)c1 ZINC001329500067 1148901802 /nfs/dbraw/zinc/90/18/02/1148901802.db2.gz FNEJZLKPZHBYCV-AWEZNQCLSA-N 0 3 306.454 2.001 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001481530240 1080006573 /nfs/dbraw/zinc/00/65/73/1080006573.db2.gz AVVLILOEBGQNBP-CQSZACIVSA-N 0 3 316.392 2.205 20 30 DEEDHN C[C@@H](NC(=O)Cc1ccoc1)[C@H](C)NCC#Cc1ccccc1 ZINC001485137785 1080022603 /nfs/dbraw/zinc/02/26/03/1080022603.db2.gz MXOQJSVGSKBWAQ-JKSUJKDBSA-N 0 3 310.397 2.357 20 30 DEEDHN CCc1nc(C)c(CN[C@H]2C[C@@H](CNC(=O)C#CC(C)C)C2)o1 ZINC001656132415 1080053013 /nfs/dbraw/zinc/05/30/13/1080053013.db2.gz NLWUUZOWPWSGEI-GASCZTMLSA-N 0 3 317.433 2.189 20 30 DEEDHN C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2(CC)CCC2)n1 ZINC001656642910 1080108632 /nfs/dbraw/zinc/10/86/32/1080108632.db2.gz CQHMIRZJTCNRNZ-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC001268145761 1080116355 /nfs/dbraw/zinc/11/63/55/1080116355.db2.gz RHIYVLAMNXFREQ-KGLIPLIRSA-N 0 3 300.830 2.279 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001656807189 1080126151 /nfs/dbraw/zinc/12/61/51/1080126151.db2.gz RLLDQFYBFLJEES-SJORKVTESA-N 0 3 311.429 2.165 20 30 DEEDHN C#CCOCCC(=O)N1CCCCC[C@H](NCC(=C)Cl)C1 ZINC001656890366 1080135219 /nfs/dbraw/zinc/13/52/19/1080135219.db2.gz YEKYPGFNKZHZCT-HNNXBMFYSA-N 0 3 312.841 2.140 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001656932584 1080140155 /nfs/dbraw/zinc/14/01/55/1080140155.db2.gz KLGDFDOHLGMHIG-PBHICJAKSA-N 0 3 320.408 2.438 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccccn2)CC(C)(C)C1 ZINC001657101571 1080156779 /nfs/dbraw/zinc/15/67/79/1080156779.db2.gz CMMMKUQQOFSJGW-KRWDZBQOSA-N 0 3 313.445 2.254 20 30 DEEDHN CC(C)[C@H](CNC(=O)C#CC1CC1)NCc1ccccc1F ZINC001268207486 1080191981 /nfs/dbraw/zinc/19/19/81/1080191981.db2.gz FMDWUKFNAMMWHG-KRWDZBQOSA-N 0 3 302.393 2.470 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1ccnn1C)C(C)C ZINC001268213518 1080199349 /nfs/dbraw/zinc/19/93/49/1080199349.db2.gz OAQCEHWBCYAYIA-OAHLLOKOSA-N 0 3 306.454 2.253 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C(C)C)C1 ZINC001268215898 1080200474 /nfs/dbraw/zinc/20/04/74/1080200474.db2.gz CQOYBEAEUJVMAD-GXTWGEPZSA-N 0 3 319.453 2.261 20 30 DEEDHN C=C(C)C[NH2+][C@H](CCN(C)C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001485438673 1080207431 /nfs/dbraw/zinc/20/74/31/1080207431.db2.gz ZPXICFSCWWZQEY-CQSZACIVSA-N 0 3 320.437 2.143 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001268242649 1080224155 /nfs/dbraw/zinc/22/41/55/1080224155.db2.gz AZQLXUVDRZCUOU-QGZVFWFLSA-N 0 3 314.429 2.193 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001485539359 1080286593 /nfs/dbraw/zinc/28/65/93/1080286593.db2.gz OBIWGAREESYLIM-LSDHHAIUSA-N 0 3 316.420 2.464 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](OC)C(F)(F)F ZINC001481682298 1080291589 /nfs/dbraw/zinc/29/15/89/1080291589.db2.gz XMXZZVQLVHLYSB-RWMBFGLXSA-N 0 3 320.355 2.205 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(CC)nn2C)cc1 ZINC001272700265 1080292396 /nfs/dbraw/zinc/29/23/96/1080292396.db2.gz ISIOQARTMLSTCS-CQSZACIVSA-N 0 3 324.428 2.196 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001481705786 1080329958 /nfs/dbraw/zinc/32/99/58/1080329958.db2.gz MNHIWGDZWLZTMJ-ZIAGYGMSSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C(C)(C)c3ccccc3C)[C@@H]2C1 ZINC001485629587 1080340843 /nfs/dbraw/zinc/34/08/43/1080340843.db2.gz TVGTVISQEWXBQQ-OSYLJGHBSA-N 0 3 310.441 2.200 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](OC)[C@H](C)CC)C1 ZINC001485687761 1080369174 /nfs/dbraw/zinc/36/91/74/1080369174.db2.gz NJCPCDQHIVSTCV-FMKGYKFTSA-N 0 3 302.846 2.284 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001481734074 1080405201 /nfs/dbraw/zinc/40/52/01/1080405201.db2.gz DIRVRVWGFJNYHG-KRWDZBQOSA-N 0 3 316.445 2.424 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@H](C)C(=O)NCC(C)C)CC1 ZINC001485755011 1080408180 /nfs/dbraw/zinc/40/81/80/1080408180.db2.gz WYRVDDNJWKDLPD-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCN1CCN(CCCF)CC1 ZINC001660891758 1080412982 /nfs/dbraw/zinc/41/29/82/1080412982.db2.gz CRUQXNGBCOJTLW-UHFFFAOYSA-N 0 3 313.461 2.072 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC001481740429 1080418178 /nfs/dbraw/zinc/41/81/78/1080418178.db2.gz CETKNMALEIOEKW-LSDHHAIUSA-N 0 3 306.406 2.118 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001485775235 1080426178 /nfs/dbraw/zinc/42/61/78/1080426178.db2.gz AIBDSXXQYQOKNT-GOSISDBHSA-N 0 3 306.450 2.211 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001481747086 1080430514 /nfs/dbraw/zinc/43/05/14/1080430514.db2.gz LSKWWSVPAPAXON-MSOLQXFVSA-N 0 3 315.461 2.398 20 30 DEEDHN C#CCC1(C(=O)N(C)[C@H]2CCN(CCOC)C2)CCCCC1 ZINC001481754712 1080444674 /nfs/dbraw/zinc/44/46/74/1080444674.db2.gz SENTYOAHSRODPI-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cnn(CC)c1)CC2 ZINC001272703091 1080451715 /nfs/dbraw/zinc/45/17/15/1080451715.db2.gz ZBPARSQOBAPMDG-UHFFFAOYSA-N 0 3 316.449 2.294 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccccc2OCC2CC2)C1 ZINC001661378487 1080475739 /nfs/dbraw/zinc/47/57/39/1080475739.db2.gz RWKCZGQRYAQXEL-INIZCTEOSA-N 0 3 312.413 2.303 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CC)C(=O)CN(C)C2CCC2)C1 ZINC001481767551 1080484304 /nfs/dbraw/zinc/48/43/04/1080484304.db2.gz GMYZZKRKEUIRMD-OAHLLOKOSA-N 0 3 313.873 2.146 20 30 DEEDHN CC#CCCCC(=O)NC1CCC(NCc2ccn(C)n2)CC1 ZINC001662125891 1080571668 /nfs/dbraw/zinc/57/16/68/1080571668.db2.gz DIAHATIAUSQPIX-UHFFFAOYSA-N 0 3 316.449 2.131 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cn(CC)cn2)CCCC1 ZINC001481909821 1080598368 /nfs/dbraw/zinc/59/83/68/1080598368.db2.gz CPOHJZHCBQGGJB-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)C1(Cc2ccccc2F)CC1 ZINC001662356439 1080600050 /nfs/dbraw/zinc/60/00/50/1080600050.db2.gz JYNIBKJGZYOEIV-CQSZACIVSA-N 0 3 302.393 2.266 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCC(F)(F)F)cc1F ZINC001125227340 1080602457 /nfs/dbraw/zinc/60/24/57/1080602457.db2.gz QWOCYYDHVRWARO-UHFFFAOYSA-N 0 3 317.286 2.246 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1sc(CC2CC2)nc1C ZINC001268486706 1080613507 /nfs/dbraw/zinc/61/35/07/1080613507.db2.gz JEAIJYMUIKUVBN-UHFFFAOYSA-N 0 3 305.447 2.089 20 30 DEEDHN C#CCCCC(=O)N1CCC(CCNCc2cnns2)CC1 ZINC001481997884 1080679014 /nfs/dbraw/zinc/67/90/14/1080679014.db2.gz ZLACFEVDNREUGY-UHFFFAOYSA-N 0 3 320.462 2.060 20 30 DEEDHN CC/C=C(\C)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107312320 1080721405 /nfs/dbraw/zinc/72/14/05/1080721405.db2.gz UUHNCBCNKNWARQ-YBFUFRCZSA-N 0 3 318.461 2.353 20 30 DEEDHN Cc1ncoc1CN1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12 ZINC001107336103 1080733987 /nfs/dbraw/zinc/73/39/87/1080733987.db2.gz HNONUFREQXUZTG-XGWLTEMNSA-N 0 3 316.405 2.004 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001663630266 1080794240 /nfs/dbraw/zinc/79/42/40/1080794240.db2.gz ZWRQUTHUMIKVGG-CVEARBPZSA-N 0 3 317.433 2.246 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@H](C)n1cccc1 ZINC001482089843 1080794353 /nfs/dbraw/zinc/79/43/53/1080794353.db2.gz MVAWTGDQMVHBBX-HOTGVXAUSA-N 0 3 324.428 2.463 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc(N2CC=CC2)c1 ZINC001663683790 1080802443 /nfs/dbraw/zinc/80/24/43/1080802443.db2.gz GOHSKBYIZPRMAN-UHFFFAOYSA-N 0 3 311.429 2.138 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H](C)Oc1cccc(F)c1)C1CC1 ZINC001663726961 1080807388 /nfs/dbraw/zinc/80/73/88/1080807388.db2.gz GUDFHONUHLCICO-CYBMUJFWSA-N 0 3 306.381 2.360 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc2oc(=O)[nH]c21)C1CC1 ZINC001663739410 1080808792 /nfs/dbraw/zinc/80/87/92/1080808792.db2.gz CSYFGRHTLCUTDY-UHFFFAOYSA-N 0 3 315.373 2.304 20 30 DEEDHN C=CCN(CCNC(=O)[C@H](C)Oc1ccccc1F)C1CC1 ZINC001663727450 1080810299 /nfs/dbraw/zinc/81/02/99/1080810299.db2.gz NSKFZFXZCUEDNF-ZDUSSCGKSA-N 0 3 306.381 2.360 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNCc1cc2n(n1)CCC2 ZINC001482136928 1080854638 /nfs/dbraw/zinc/85/46/38/1080854638.db2.gz MWBCBISZVZJXKD-KDOFPFPSSA-N 0 3 318.465 2.274 20 30 DEEDHN Cc1nocc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001482139618 1080855528 /nfs/dbraw/zinc/85/55/28/1080855528.db2.gz YXGLKWFAGYBCJB-GFCCVEGCSA-N 0 3 312.373 2.010 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cccc(N2CCCC2)c1 ZINC001268610924 1080888696 /nfs/dbraw/zinc/88/86/96/1080888696.db2.gz XYGBGTRLXNXOTE-PLNGDYQASA-N 0 3 311.429 2.186 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CCCC1 ZINC001268637042 1080908465 /nfs/dbraw/zinc/90/84/65/1080908465.db2.gz YPENSCQKKRTRJQ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCC(=O)N1CCCCCC1 ZINC001268656584 1080919801 /nfs/dbraw/zinc/91/98/01/1080919801.db2.gz BBWUGRLPEWKHGE-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1ccc(C)nn1)c1ccccc1 ZINC001664578969 1080927547 /nfs/dbraw/zinc/92/75/47/1080927547.db2.gz VSNBNNCZIMXLLB-KRWDZBQOSA-N 0 3 310.401 2.422 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001664613060 1080932702 /nfs/dbraw/zinc/93/27/02/1080932702.db2.gz RHXYZEYREQICSH-CALCHBBNSA-N 0 3 304.434 2.365 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001664811690 1080964769 /nfs/dbraw/zinc/96/47/69/1080964769.db2.gz FNXJIBGBPGXDHF-INIZCTEOSA-N 0 3 316.449 2.422 20 30 DEEDHN C=CCCN(C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1 ZINC001268755019 1080969714 /nfs/dbraw/zinc/96/97/14/1080969714.db2.gz OSLKBLUUXROKQQ-ZDUSSCGKSA-N 0 3 314.385 2.419 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C(C)(C)C)nc1 ZINC001665135542 1080993676 /nfs/dbraw/zinc/99/36/76/1080993676.db2.gz XAFNMUSELYQAGS-UHFFFAOYSA-N 0 3 302.422 2.456 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1cc2n(n1)CCC2 ZINC001268836944 1081012839 /nfs/dbraw/zinc/01/28/39/1081012839.db2.gz XYVBJFPAJMXDDI-GOSISDBHSA-N 0 3 318.465 2.370 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)n[nH]1 ZINC001665396425 1081023178 /nfs/dbraw/zinc/02/31/78/1081023178.db2.gz KTWAULZWOAPMKS-RDBSUJKOSA-N 0 3 318.421 2.062 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCOCC1 ZINC001665420696 1081026258 /nfs/dbraw/zinc/02/62/58/1081026258.db2.gz HFBZJJGAJVFLAF-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001665465547 1081032747 /nfs/dbraw/zinc/03/27/47/1081032747.db2.gz GEYOMMMQGNSEAK-KRWDZBQOSA-N 0 3 302.418 2.226 20 30 DEEDHN CCC#CC(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001268951519 1081055357 /nfs/dbraw/zinc/05/53/57/1081055357.db2.gz TVFNGBUXOUTXJP-UHFFFAOYSA-N 0 3 302.340 2.277 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CCOC)CC1 ZINC001268947328 1081060439 /nfs/dbraw/zinc/06/04/39/1081060439.db2.gz LDWNGAPRULOZLK-JYJNAYRXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CC[C@@H](C)C(=O)N1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001268968600 1081066204 /nfs/dbraw/zinc/06/62/04/1081066204.db2.gz UQIFLPPVNBBVBN-OAHLLOKOSA-N 0 3 316.449 2.436 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001665714526 1081068734 /nfs/dbraw/zinc/06/87/34/1081068734.db2.gz CVPVEMASCKRBRX-WMZOPIPTSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cccc2)C1 ZINC001665738162 1081075384 /nfs/dbraw/zinc/07/53/84/1081075384.db2.gz RKJUDBQNGBAFLS-DLBZAZTESA-N 0 3 301.434 2.385 20 30 DEEDHN C#CCCCC(=O)NC1(CNCc2cc(C)ncn2)CCCC1 ZINC001665919588 1081097415 /nfs/dbraw/zinc/09/74/15/1081097415.db2.gz ZPFJFQXGDAHZNJ-UHFFFAOYSA-N 0 3 314.433 2.107 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001269118287 1081125157 /nfs/dbraw/zinc/12/51/57/1081125157.db2.gz QBAZAWSGPSMYSN-QGZVFWFLSA-N 0 3 302.418 2.197 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001269138571 1081135239 /nfs/dbraw/zinc/13/52/39/1081135239.db2.gz RSNQZLGNGFLXBX-CVEARBPZSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001269228042 1081174630 /nfs/dbraw/zinc/17/46/30/1081174630.db2.gz XFULJLYZOMADJK-MWDXBVQZSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001269275526 1081193395 /nfs/dbraw/zinc/19/33/95/1081193395.db2.gz SPSXHRPTLNLWQC-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@H](C)CN[C@H](C)c1n[nH]c(CC)n1 ZINC001666971446 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/nfs/dbraw/zinc/25/80/32/1082258032.db2.gz DUKOEXIZGCHJFM-IYBDPMFKSA-N 0 3 312.344 2.321 20 30 DEEDHN COC(=O)c1cccc(CN2CCN(C(C)(C)C)CC2)c1C#N ZINC001649732393 1082279747 /nfs/dbraw/zinc/27/97/47/1082279747.db2.gz SMPGAURIKNDOLG-UHFFFAOYSA-N 0 3 315.417 2.261 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001266750483 1082320657 /nfs/dbraw/zinc/32/06/57/1082320657.db2.gz XVWMZFQZVANJQZ-HNNXBMFYSA-N 0 3 320.458 2.116 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001266764603 1082328964 /nfs/dbraw/zinc/32/89/64/1082328964.db2.gz TZEPHHQEBYFCLQ-HOTGVXAUSA-N 0 3 324.428 2.059 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](CNCc2nccn2C)C1 ZINC001266811552 1082362466 /nfs/dbraw/zinc/36/24/66/1082362466.db2.gz QGLXUZXIROPXQB-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN COCC#CCNCCN(C)C(=O)[C@H](c1ccccc1)C(C)C ZINC001266846634 1082388842 /nfs/dbraw/zinc/38/88/42/1082388842.db2.gz BXCDHGQZEFXDFW-SFHVURJKSA-N 0 3 316.445 2.124 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)CCN(C)CCOC(C)C ZINC001482645334 1082429928 /nfs/dbraw/zinc/42/99/28/1082429928.db2.gz PGJFSTPUYFXYAE-UHFFFAOYSA-N 0 3 316.445 2.026 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(COC)CCC1 ZINC001266890775 1082432918 /nfs/dbraw/zinc/43/29/18/1082432918.db2.gz NQQJDWFVOYXBSV-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001266891672 1082435548 /nfs/dbraw/zinc/43/55/48/1082435548.db2.gz PYJMCWPLYSZKMT-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@H](CC)Oc1ccccc1F ZINC001266980015 1082486575 /nfs/dbraw/zinc/48/65/75/1082486575.db2.gz OPKZYXFJXAAQFF-OAHLLOKOSA-N 0 3 306.381 2.054 20 30 DEEDHN CCC[C@H]1CCC[C@H]1C(=O)N(CC)CCNCC#CCOC ZINC001482936301 1082568345 /nfs/dbraw/zinc/56/83/45/1082568345.db2.gz XMVUSKLTMQGJDX-DLBZAZTESA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC001482936356 1082568490 /nfs/dbraw/zinc/56/84/90/1082568490.db2.gz YLJXOHYKCOQORL-SFHVURJKSA-N 0 3 314.429 2.266 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)OCc1ccccc1 ZINC001482938580 1082568939 /nfs/dbraw/zinc/56/89/39/1082568939.db2.gz DJHWLJKNYJYJGZ-INIZCTEOSA-N 0 3 302.418 2.053 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001482954397 1082575719 /nfs/dbraw/zinc/57/57/19/1082575719.db2.gz BNARGRPUAQARHJ-HZPDHXFCSA-N 0 3 310.482 2.393 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)C=C(C)C)cc1C#N ZINC001482976894 1082589840 /nfs/dbraw/zinc/58/98/40/1082589840.db2.gz MCLMISSLVAUENQ-SNAWJCMRSA-N 0 3 313.401 2.295 20 30 DEEDHN N#Cc1cc(CNC/C=C\CNC(=O)[C@H]2CC2(F)F)ccc1F ZINC001483005837 1082620648 /nfs/dbraw/zinc/62/06/48/1082620648.db2.gz HEOWQFFKJDGWBN-UIIMQBOASA-N 0 3 323.318 2.115 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C\CNCc1cccc(Cl)c1 ZINC001483008691 1082621336 /nfs/dbraw/zinc/62/13/36/1082621336.db2.gz ZXIBSWUQBZUTCB-ZRUQZJFASA-N 0 3 320.820 2.140 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001483013146 1082623758 /nfs/dbraw/zinc/62/37/58/1082623758.db2.gz UFUPSZCATQHBDG-VGOKWCNXSA-N 0 3 304.434 2.035 20 30 DEEDHN C#CCC1(C(=O)N(C)CCN(C)C[C@H](C)OC)CCCCC1 ZINC001272184849 1082624515 /nfs/dbraw/zinc/62/45/15/1082624515.db2.gz DNRONJBDTYMCTK-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC/C=C\CNCc1ccnc(OC)c1 ZINC001483042093 1082643556 /nfs/dbraw/zinc/64/35/56/1082643556.db2.gz DHCXUIMGEVJKMP-SREVYHEPSA-N 0 3 317.433 2.455 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)c2ncccc2F)c1 ZINC001483078377 1082694214 /nfs/dbraw/zinc/69/42/14/1082694214.db2.gz PZORMBZCFGBQLM-OWOJBTEDSA-N 0 3 324.359 2.168 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccc2sccc2c1 ZINC001483180928 1082794538 /nfs/dbraw/zinc/79/45/38/1082794538.db2.gz MGDLAKDVHIUARA-CYBMUJFWSA-N 0 3 316.426 2.259 20 30 DEEDHN CSC[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001409532624 1082941008 /nfs/dbraw/zinc/94/10/08/1082941008.db2.gz XYXZSDXYEZJYMI-UONOGXRCSA-N 0 3 319.474 2.494 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cccnc1 ZINC001483305431 1083085268 /nfs/dbraw/zinc/08/52/68/1083085268.db2.gz HJQMGEJNYHHQEX-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107424400 1083385954 /nfs/dbraw/zinc/38/59/54/1083385954.db2.gz MBQYVZYKZVHFFP-IEBWSBKVSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCCCN1CC(N(C)C(=O)c2ccc3cncn3c2C)C1 ZINC001671145452 1083410288 /nfs/dbraw/zinc/41/02/88/1083410288.db2.gz YIEGHPFKEPUAON-UHFFFAOYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001077615540 1083464281 /nfs/dbraw/zinc/46/42/81/1083464281.db2.gz CFGSWXOAOAHVIJ-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@@H]([C@H](C)NCc2cccnc2)C1 ZINC001276791892 1083613230 /nfs/dbraw/zinc/61/32/30/1083613230.db2.gz YAEBULAHHQIJSF-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cc(C2CC2)no1 ZINC001276868062 1083654482 /nfs/dbraw/zinc/65/44/82/1083654482.db2.gz XWFQEHUIMUDQGK-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001077677041 1083667805 /nfs/dbraw/zinc/66/78/05/1083667805.db2.gz VNARDIIGMKAUKM-HZPDHXFCSA-N 0 3 317.433 2.023 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCCCCOC)cc1 ZINC001276898763 1083670022 /nfs/dbraw/zinc/67/00/22/1083670022.db2.gz LKJSOMQJOPRGQW-GOSISDBHSA-N 0 3 314.429 2.289 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(NCc2cc(C)sc2C)CC1 ZINC001277050758 1083748580 /nfs/dbraw/zinc/74/85/80/1083748580.db2.gz ZMEFRTVMOJYKHD-MRXNPFEDSA-N 0 3 322.474 2.430 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2ccc(C)cc2Cl)CC1 ZINC001277094448 1083771871 /nfs/dbraw/zinc/77/18/71/1083771871.db2.gz VRQNDGKRIMZFDQ-UHFFFAOYSA-N 0 3 304.821 2.453 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001490887683 1083779571 /nfs/dbraw/zinc/77/95/71/1083779571.db2.gz ATVZEYCATCQZEU-HDJSIYSDSA-N 0 3 305.809 2.131 20 30 DEEDHN Cc1cnc([C@@H](C)NCCC[C@H](C)NC(=O)C#CC(C)C)cn1 ZINC001277187612 1083838294 /nfs/dbraw/zinc/83/82/94/1083838294.db2.gz VXEIQBKYLUVFTL-GOEBONIOSA-N 0 3 316.449 2.380 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cnn(C3CCCCC3)c2)CC1 ZINC001277217472 1083849716 /nfs/dbraw/zinc/84/97/16/1083849716.db2.gz KKARWOWMGRJZBC-UHFFFAOYSA-N 0 3 314.433 2.264 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1ccns1 ZINC001490895248 1083851931 /nfs/dbraw/zinc/85/19/31/1083851931.db2.gz CVMYXXJQSTYPKY-SHTZXODSSA-N 0 3 311.410 2.045 20 30 DEEDHN CCCCCCCN1CC[C@H]2C[C@]21C(=O)NCc1c[nH]cn1 ZINC001277226273 1083855063 /nfs/dbraw/zinc/85/50/63/1083855063.db2.gz UMPJDFPXDLQPRK-WMLDXEAASA-N 0 3 304.438 2.461 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C(F)(F)F ZINC001099341540 1083948896 /nfs/dbraw/zinc/94/88/96/1083948896.db2.gz IUQNCGFTYQASAO-VXGBXAGGSA-N 0 3 301.312 2.102 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001490947094 1083967740 /nfs/dbraw/zinc/96/77/40/1083967740.db2.gz LRSQLMIFHWGTTM-ZRJCITRHSA-N 0 3 300.830 2.181 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccc(C)cc1F ZINC001280865579 1083959574 /nfs/dbraw/zinc/95/95/74/1083959574.db2.gz KUEBHBQMECDKRU-UHFFFAOYSA-N 0 3 320.408 2.178 20 30 DEEDHN N#Cc1ccn2ncc(CN3CC4(CCN4C4CCCC4)C3)c2c1 ZINC001277424223 1083962679 /nfs/dbraw/zinc/96/26/79/1083962679.db2.gz KLTVMUOWGQCBMF-UHFFFAOYSA-N 0 3 321.428 2.409 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2c(C)[nH]c3ncccc23)C1=O ZINC001272766960 1083988972 /nfs/dbraw/zinc/98/89/72/1083988972.db2.gz VOWLFNGCTQDZAG-LJQANCHMSA-N 0 3 322.412 2.071 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001490987243 1083989428 /nfs/dbraw/zinc/98/94/28/1083989428.db2.gz UBTFNZBYUVJPGP-HYBGQWMJSA-N 0 3 312.841 2.254 20 30 DEEDHN Cc1cnc(CNCC[C@H](C)NC(=O)C#CC(C)(C)C)s1 ZINC001272774461 1084019546 /nfs/dbraw/zinc/01/95/46/1084019546.db2.gz VUAGCTBLTDKTDA-LBPRGKRZSA-N 0 3 307.463 2.485 20 30 DEEDHN N#Cc1cccc(CCCN2CC3(C[C@H]3C(=O)N3CC=CC3)C2)c1 ZINC001277590334 1084048285 /nfs/dbraw/zinc/04/82/85/1084048285.db2.gz ZMSUTNDXXGWJPW-SFHVURJKSA-N 0 3 321.424 2.211 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)cn1 ZINC001491071864 1084048852 /nfs/dbraw/zinc/04/88/52/1084048852.db2.gz JIJZGIYMKYHZQA-BETUJISGSA-N 0 3 324.211 2.232 20 30 DEEDHN N#Cc1cnc(N2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)nc1 ZINC001277736620 1084121000 /nfs/dbraw/zinc/12/10/00/1084121000.db2.gz LVBUADJETRCPJL-IYBDPMFKSA-N 0 3 322.416 2.025 20 30 DEEDHN CC(C)OCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001277767733 1084139079 /nfs/dbraw/zinc/13/90/79/1084139079.db2.gz XXZVKEWTHDEKEU-OAHLLOKOSA-N 0 3 320.408 2.039 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1cn(C)nc1C(F)F ZINC001277772415 1084140539 /nfs/dbraw/zinc/14/05/39/1084140539.db2.gz XNYOKJAFHMQOMR-LLVKDONJSA-N 0 3 314.380 2.260 20 30 DEEDHN C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001277855475 1084177724 /nfs/dbraw/zinc/17/77/24/1084177724.db2.gz VSVFOOPYRDUGAM-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN CCCN(C)CC(=O)N(C)C[C@H](C)Nc1cccc(F)c1C#N ZINC001115795443 1084199493 /nfs/dbraw/zinc/19/94/93/1084199493.db2.gz ZYJWWDQUZROHJH-ZDUSSCGKSA-N 0 3 320.412 2.298 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCC2CCOCC2)C1 ZINC001491284364 1084208904 /nfs/dbraw/zinc/20/89/04/1084208904.db2.gz BURIFMISBWTPHM-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC2(CCOCC2)C1 ZINC001089932290 1084209621 /nfs/dbraw/zinc/20/96/21/1084209621.db2.gz HNOZMOQUDQIFCT-NCOADZHNSA-N 0 3 318.461 2.206 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001272813896 1084227964 /nfs/dbraw/zinc/22/79/64/1084227964.db2.gz KNBXUMIAUIZZBB-GFCCVEGCSA-N 0 3 312.845 2.489 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1ccc(F)cc1F ZINC001235022821 1084280701 /nfs/dbraw/zinc/28/07/01/1084280701.db2.gz DODRFYKMAKECCI-CQSZACIVSA-N 0 3 324.371 2.452 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N[C@@H](C)c1ccccc1F ZINC001491431315 1084308093 /nfs/dbraw/zinc/30/80/93/1084308093.db2.gz KAHYEILAHZGBPU-NEPJUHHUSA-N 0 3 314.364 2.495 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001077928404 1084357466 /nfs/dbraw/zinc/35/74/66/1084357466.db2.gz HLYIPDYAYPKDCE-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccnc1C(F)(F)F ZINC001277945633 1084431313 /nfs/dbraw/zinc/43/13/13/1084431313.db2.gz GBIAVWSBQCPROE-NSHDSACASA-N 0 3 313.323 2.174 20 30 DEEDHN C=CCCC(=O)NCCCN(C)C[C@@H](O)c1ccccc1F ZINC001235465127 1084438943 /nfs/dbraw/zinc/43/89/43/1084438943.db2.gz RIGGOBNWROWQPM-MRXNPFEDSA-N 0 3 308.397 2.263 20 30 DEEDHN N#CCCCCN1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001277948861 1084444948 /nfs/dbraw/zinc/44/49/48/1084444948.db2.gz OOCOCXMMDDSHAL-OKILXGFUSA-N 0 3 319.371 2.408 20 30 DEEDHN COc1cnc(O[C@H]2CCN(Cc3ccccc3CC#N)C2)nc1 ZINC001235529151 1084455889 /nfs/dbraw/zinc/45/58/89/1084455889.db2.gz XOPKCFYMTKNGBW-INIZCTEOSA-N 0 3 324.384 2.205 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001078027678 1084495770 /nfs/dbraw/zinc/49/57/70/1084495770.db2.gz CEPAMUXHIUWEKI-IAGOWNOFSA-N 0 3 316.445 2.010 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001078045821 1084508254 /nfs/dbraw/zinc/50/82/54/1084508254.db2.gz FJLGAODNKSDZRF-HUUCEWRRSA-N 0 3 324.371 2.365 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(Cl)cc(OC)c1 ZINC001277968759 1084530435 /nfs/dbraw/zinc/53/04/35/1084530435.db2.gz MDSSPARONNFPQI-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(C)=O)C12CCC2 ZINC001078514156 1084719818 /nfs/dbraw/zinc/71/98/18/1084719818.db2.gz JPOHXQIDNBQRKQ-IRXDYDNUSA-N 0 3 313.401 2.104 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccn2)C12CCC2 ZINC001078536780 1084729907 /nfs/dbraw/zinc/72/99/07/1084729907.db2.gz PYYICNVWUMZCGT-KBPBESRZSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cnc(C)cn2)C12CCC2 ZINC001078543015 1084743334 /nfs/dbraw/zinc/74/33/34/1084743334.db2.gz IFWIOJHUIMIGOJ-KGLIPLIRSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)C12CCC2 ZINC001078607238 1084766261 /nfs/dbraw/zinc/76/62/61/1084766261.db2.gz 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C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)c(C)o1)CC2 ZINC001273012660 1085953524 /nfs/dbraw/zinc/95/35/24/1085953524.db2.gz UPHXALKVIAFUMN-INIZCTEOSA-N 0 3 300.402 2.248 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC000962183845 1086004156 /nfs/dbraw/zinc/00/41/56/1086004156.db2.gz DBCRYZFPDAKGFM-WIRQWFGLSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3cnc(C)cn3)C2)C1 ZINC000962279556 1086048939 /nfs/dbraw/zinc/04/89/39/1086048939.db2.gz ZOBRNNVAPNOSCY-UHFFFAOYSA-N 0 3 314.433 2.126 20 30 DEEDHN Cc1conc1C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000962501336 1086136903 /nfs/dbraw/zinc/13/69/03/1086136903.db2.gz VWFKRVRJPFDUEC-UHFFFAOYSA-N 0 3 324.384 2.153 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc3c2COCC3)CCC1 ZINC001273099701 1086177135 /nfs/dbraw/zinc/17/71/35/1086177135.db2.gz AZNXFTSGSQGPFW-UHFFFAOYSA-N 0 3 312.413 2.025 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2c1cccc2Cl ZINC000962976659 1086286345 /nfs/dbraw/zinc/28/63/45/1086286345.db2.gz 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310.388 2.368 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C1 ZINC001084652731 1090364729 /nfs/dbraw/zinc/36/47/29/1090364729.db2.gz HWKADMVUZJSNDJ-ZWNOBZJWSA-N 0 3 310.348 2.070 20 30 DEEDHN C#CCSCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001119524265 1090393408 /nfs/dbraw/zinc/39/34/08/1090393408.db2.gz IPLIHHASOZOVGL-ZBFHGGJFSA-N 0 3 302.443 2.132 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3sc(C)cc3C)[C@@H]2C1 ZINC001084803324 1090452298 /nfs/dbraw/zinc/45/22/98/1090452298.db2.gz RECCYJQBOPEEFP-HZPDHXFCSA-N 0 3 316.470 2.463 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C1 ZINC001084838807 1090470090 /nfs/dbraw/zinc/47/00/90/1090470090.db2.gz APHINWTXLQECON-CZUORRHYSA-N 0 3 310.401 2.285 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC001099856218 1090553344 /nfs/dbraw/zinc/55/33/44/1090553344.db2.gz UEKLZZAFLUWCEK-ROUUACIJSA-N 0 3 316.445 2.137 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)C[C@@H]21 ZINC001085020174 1090593917 /nfs/dbraw/zinc/59/39/17/1090593917.db2.gz JLOHFWMTJWHFHC-LZQZEXGQSA-N 0 3 308.425 2.272 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cccnc1 ZINC001085169566 1090690892 /nfs/dbraw/zinc/69/08/92/1090690892.db2.gz PXWXHKQEWLEDFZ-HUUCEWRRSA-N 0 3 307.825 2.394 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001274299450 1091174923 /nfs/dbraw/zinc/17/49/23/1091174923.db2.gz ALTMRZIDYAECBT-MRXNPFEDSA-N 0 3 312.413 2.052 20 30 DEEDHN C=CCCCN1C[C@@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 ZINC001274958596 1091492128 /nfs/dbraw/zinc/49/21/28/1091492128.db2.gz HLZHKKOKOLVKNA-HOTGVXAUSA-N 0 3 320.458 2.168 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@@H](NCc1ccon1)C(C)C ZINC001276122654 1091563090 /nfs/dbraw/zinc/56/30/90/1091563090.db2.gz IDJBBRUCMZSNAC-MRXNPFEDSA-N 0 3 305.422 2.297 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001275176327 1091599648 /nfs/dbraw/zinc/59/96/48/1091599648.db2.gz NMRCDSPTLCIEAX-IAGOWNOFSA-N 0 3 314.429 2.407 20 30 DEEDHN CCn1cc(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)cn1 ZINC001275365285 1091692134 /nfs/dbraw/zinc/69/21/34/1091692134.db2.gz IUNCKTVGHNDTFT-JKSUJKDBSA-N 0 3 324.428 2.051 20 30 DEEDHN N#CCCCN1CC[C@]2(CCCN2C[C@@H]2CCC=CO2)C1=O ZINC001273443552 1091699327 /nfs/dbraw/zinc/69/93/27/1091699327.db2.gz MNRUJZPPQDNRTC-DOTOQJQBSA-N 0 3 303.406 2.050 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@H](OCC)C(C)C)C2)C1 ZINC001671075275 1091725870 /nfs/dbraw/zinc/72/58/70/1091725870.db2.gz OHVYPTXIIJBDLL-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN C[C@H](CCCC#N)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172494886 1091832387 /nfs/dbraw/zinc/83/23/87/1091832387.db2.gz ZEHFGFXHXWCZMU-RDBSUJKOSA-N 0 3 311.426 2.029 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(CC(OC)OC)C2 ZINC001273486078 1091876584 /nfs/dbraw/zinc/87/65/84/1091876584.db2.gz BWWLRFARLRDZPI-QGZVFWFLSA-N 0 3 310.438 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1ccnc(Cl)c1 ZINC001273495786 1091885354 /nfs/dbraw/zinc/88/53/54/1091885354.db2.gz 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/nfs/dbraw/zinc/96/04/07/1091960407.db2.gz UVVYAFMRKFJVHL-AWEZNQCLSA-N 0 3 303.406 2.358 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2C[C@H](C)CC(F)(F)F)C1=O ZINC001273746375 1092025878 /nfs/dbraw/zinc/02/58/78/1092025878.db2.gz FXRMIPZCMFMJDX-OCCSQVGLSA-N 0 3 302.340 2.275 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccccc1)CCO2 ZINC000949012020 1092029652 /nfs/dbraw/zinc/02/96/52/1092029652.db2.gz WPSJDRKYMMEBHB-UHFFFAOYSA-N 0 3 300.402 2.180 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)c1ccc(Cl)c(C#N)c1)CC2 ZINC001275731159 1092050843 /nfs/dbraw/zinc/05/08/43/1092050843.db2.gz DFCAWFWCBTVXNE-UHFFFAOYSA-N 0 3 303.793 2.379 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)COc2ccccc2F)C1 ZINC001494868958 1092066026 /nfs/dbraw/zinc/06/60/26/1092066026.db2.gz QQCZNOHYJIERGR-AWEZNQCLSA-N 0 3 306.381 2.313 20 30 DEEDHN COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC001411749882 1092071004 /nfs/dbraw/zinc/07/10/04/1092071004.db2.gz BFBLZIQRLDKVGX-DZGCQCFKSA-N 0 3 302.374 2.026 20 30 DEEDHN C=CCCc1ccc(C(=O)N2CCC3(CN(C)C3)CC2)c(=O)[nH]1 ZINC001275773888 1092102635 /nfs/dbraw/zinc/10/26/35/1092102635.db2.gz OHELVQCFLAOIGP-UHFFFAOYSA-N 0 3 315.417 2.074 20 30 DEEDHN COCC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001273839728 1092303848 /nfs/dbraw/zinc/30/38/48/1092303848.db2.gz BXNOCSTZCBUFQQ-HKUYNNGSSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](CO)(NCc2ccsc2)C1 ZINC001273856934 1092424869 /nfs/dbraw/zinc/42/48/69/1092424869.db2.gz CRRDDKKEKTXDEC-INIZCTEOSA-N 0 3 308.447 2.157 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)[C@@H]1C ZINC001488265125 1092459648 /nfs/dbraw/zinc/45/96/48/1092459648.db2.gz AAOXCVIBLGZRLP-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)CN(C)CCC)[C@H]1C ZINC001488265122 1092460490 /nfs/dbraw/zinc/46/04/90/1092460490.db2.gz AAOXCVIBLGZRLP-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001273935676 1092523719 /nfs/dbraw/zinc/52/37/19/1092523719.db2.gz 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ZINC001489234743 1092997671 /nfs/dbraw/zinc/99/76/71/1092997671.db2.gz UKSVLQFRNPRLLT-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccc(Cl)cc2)[C@H]1C ZINC001489307754 1093010836 /nfs/dbraw/zinc/01/08/36/1093010836.db2.gz RBHSOUKOPBOLLN-DOMZBBRYSA-N 0 3 308.809 2.484 20 30 DEEDHN CCCc1ccccc1C(=O)NCCCN(C)CC#CCOC ZINC001490222240 1093245286 /nfs/dbraw/zinc/24/52/86/1093245286.db2.gz MOSJMEGSGYXGRE-UHFFFAOYSA-N 0 3 316.445 2.341 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)NCC(C)C ZINC001490290893 1093279792 /nfs/dbraw/zinc/27/97/92/1093279792.db2.gz LJURICKYROIXPZ-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc2c(c1)COC2)C1CC1 ZINC001490387042 1093339467 /nfs/dbraw/zinc/33/94/67/1093339467.db2.gz DBCPNOBIRCPTLL-UHFFFAOYSA-N 0 3 312.413 2.324 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnc(OC)nc2)C1 ZINC001490567832 1093423608 /nfs/dbraw/zinc/42/36/08/1093423608.db2.gz KYXWVPLNIJGONY-OAHLLOKOSA-N 0 3 320.437 2.260 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2cc(C)ncn2)CC1 ZINC001490615133 1093447430 /nfs/dbraw/zinc/44/74/30/1093447430.db2.gz PJYXRSAQSNWFBJ-UHFFFAOYSA-N 0 3 314.433 2.125 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC001490760848 1093514924 /nfs/dbraw/zinc/51/49/24/1093514924.db2.gz SLHCAZIPYANKTC-GOSISDBHSA-N 0 3 313.445 2.411 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CCO1 ZINC001280652183 1093771572 /nfs/dbraw/zinc/77/15/72/1093771572.db2.gz ODBGOMPPWLJCQH-BZSNNMDCSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)C#N ZINC001352093589 1151681728 /nfs/dbraw/zinc/68/17/28/1151681728.db2.gz MWZVMWPNJKGRKF-UHFFFAOYSA-N 0 3 316.453 2.186 20 30 DEEDHN C#CCN(CC#N)Cc1ccccc1N1CCN(CCC)CC1 ZINC001352097467 1151684457 /nfs/dbraw/zinc/68/44/57/1151684457.db2.gz PWJDNNFSQRAPAX-UHFFFAOYSA-N 0 3 310.445 2.177 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1)C(F)F ZINC001480123364 1151698037 /nfs/dbraw/zinc/69/80/37/1151698037.db2.gz GQEBCFDUBUIRLV-JOCQHMNTSA-N 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/nfs/dbraw/zinc/85/67/88/1138856788.db2.gz BRTIGGGZMABDPZ-UHFFFAOYSA-N 0 3 313.401 2.417 20 30 DEEDHN CCCCCCCCNC(=S)N[C@@H](C)[C@H]1CNCCO1 ZINC001239376514 1139032004 /nfs/dbraw/zinc/03/20/04/1139032004.db2.gz ADPOKEFMPHRSQW-UONOGXRCSA-N 0 3 301.500 2.188 20 30 DEEDHN CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccc(C#N)cc1F ZINC001278304477 1139176453 /nfs/dbraw/zinc/17/64/53/1139176453.db2.gz ADJKMTDLOAYHAE-OSRSDYAFSA-N 0 3 315.392 2.290 20 30 DEEDHN Cc1ncc(C#N)c(-c2cccc(CN3CCN(C)CC3)c2)n1 ZINC001240283916 1139317262 /nfs/dbraw/zinc/31/72/62/1139317262.db2.gz QWHQRFDAWZXVHD-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN COc1cc(C#N)cnc1-c1cccc(CN2CCN(C)CC2)c1 ZINC001240283240 1139317368 /nfs/dbraw/zinc/31/73/68/1139317368.db2.gz JAWFZWVVJYZNDN-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN N#Cc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc(C2C[NH2+]C2)c1 ZINC001240361266 1139349698 /nfs/dbraw/zinc/34/96/98/1139349698.db2.gz NYQPNXAYGAUWDT-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN N#Cc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc(C2C[NH2+]C2)c1 ZINC001240361266 1139349706 /nfs/dbraw/zinc/34/97/06/1139349706.db2.gz NYQPNXAYGAUWDT-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001296715249 1139818708 /nfs/dbraw/zinc/81/87/08/1139818708.db2.gz GQASPIFOXVSIAG-RHSMWYFYSA-N 0 3 318.417 2.303 20 30 DEEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(C)F ZINC001278335502 1139849346 /nfs/dbraw/zinc/84/93/46/1139849346.db2.gz NLEPDLAMSDZSDO-ZBFHGGJFSA-N 0 3 302.393 2.365 20 30 DEEDHN C=CCCC(=O)NC1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001297507679 1139874806 /nfs/dbraw/zinc/87/48/06/1139874806.db2.gz IEPIRCRTFKBLAK-INIZCTEOSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001491583860 1140177525 /nfs/dbraw/zinc/17/75/25/1140177525.db2.gz AIZTULXJLUOCKU-XNRPHZJLSA-N 0 3 315.417 2.207 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@H]1C ZINC001278377894 1140318420 /nfs/dbraw/zinc/31/84/20/1140318420.db2.gz JGIAANCZOVETLO-HIFRSBDPSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001318446405 1140333017 /nfs/dbraw/zinc/33/30/17/1140333017.db2.gz VJLWZUBNXCRWKJ-ROUUACIJSA-N 0 3 315.461 2.398 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001318446313 1140333158 /nfs/dbraw/zinc/33/31/58/1140333158.db2.gz UQTTTXSQNMPNFC-HOTGVXAUSA-N 0 3 304.438 2.170 20 30 DEEDHN C=CCCC(=O)N(CC)[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001318456418 1140334898 /nfs/dbraw/zinc/33/48/98/1140334898.db2.gz BHVALKWCZISZIL-KRWDZBQOSA-N 0 3 318.465 2.335 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001318486370 1140347812 /nfs/dbraw/zinc/34/78/12/1140347812.db2.gz YFKPVAUNJLRKQB-QWHCGFSZSA-N 0 3 322.371 2.453 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@](C)(CNCCF)C1CC1 ZINC001318731671 1140395638 /nfs/dbraw/zinc/39/56/38/1140395638.db2.gz PRFSOGNNGCVWSC-GOSISDBHSA-N 0 3 302.393 2.054 20 30 DEEDHN C=CCCC(=O)N1CCC(CCN[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001318875097 1140446879 /nfs/dbraw/zinc/44/68/79/1140446879.db2.gz RRPMAFPPMRGQAJ-ZDUSSCGKSA-N 0 3 319.453 2.359 20 30 DEEDHN C#CCCCC(=O)N[C@@]1(C)CCN(CCOCC2CCC2)C1 ZINC001278388534 1140474513 /nfs/dbraw/zinc/47/45/13/1140474513.db2.gz LOPJUUADUWCQBD-SFHVURJKSA-N 0 3 306.450 2.187 20 30 DEEDHN CC(C)C#CC(=O)N(C)[C@H](C)CNCc1ccnc(Cl)c1 ZINC001319454021 1140579791 /nfs/dbraw/zinc/57/97/91/1140579791.db2.gz LNFMVKRKNSOCAL-CYBMUJFWSA-N 0 3 307.825 2.331 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(OC)c2C)C1 ZINC001278402737 1140581274 /nfs/dbraw/zinc/58/12/74/1140581274.db2.gz CQPLCROQVCYLGY-HIFRSBDPSA-N 0 3 300.402 2.220 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCc1c(C)nnn1CC ZINC001319525160 1140609665 /nfs/dbraw/zinc/60/96/65/1140609665.db2.gz LMPBZRCKUJXSPW-CXAGYDPISA-N 0 3 321.469 2.145 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2cscn2)[C@H](C)C1 ZINC001319708819 1140676836 /nfs/dbraw/zinc/67/68/36/1140676836.db2.gz GEYXTJWNUQCIPJ-HIFRSBDPSA-N 0 3 323.462 2.062 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001320028923 1140813342 /nfs/dbraw/zinc/81/33/42/1140813342.db2.gz HULQIZHDAKPKDG-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CCC1(C(=O)N(C)CCN(C)CCn2cccn2)CCC1 ZINC001320042620 1140816069 /nfs/dbraw/zinc/81/60/69/1140816069.db2.gz MEMOAXGDSDXQIO-UHFFFAOYSA-N 0 3 304.438 2.020 20 30 DEEDHN C=CCO[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC001320064615 1140817743 /nfs/dbraw/zinc/81/77/43/1140817743.db2.gz ZBHCKXZXIBZUST-DLBZAZTESA-N 0 3 317.433 2.276 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1ccn(C)n1 ZINC001320167419 1140832577 /nfs/dbraw/zinc/83/25/77/1140832577.db2.gz VEHRXEZPFTURSI-GOEBONIOSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001320311070 1140847395 /nfs/dbraw/zinc/84/73/95/1140847395.db2.gz BBQNDDJMKDENNP-KGLIPLIRSA-N 0 3 323.462 2.385 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC001278427326 1140854709 /nfs/dbraw/zinc/85/47/09/1140854709.db2.gz RJUMKGZNVURZDW-QGZVFWFLSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1onc2c1CCCC2 ZINC001320492546 1140871892 /nfs/dbraw/zinc/87/18/92/1140871892.db2.gz SNTCGKBBXXYMGO-NSHDSACASA-N 0 3 311.813 2.404 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CCNCc2cnc(C)o2)cc1 ZINC001320513337 1140873590 /nfs/dbraw/zinc/87/35/90/1140873590.db2.gz TUDQFDOYVQTCHU-CYBMUJFWSA-N 0 3 311.385 2.263 20 30 DEEDHN C=CCOc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246319333 1140883679 /nfs/dbraw/zinc/88/36/79/1140883679.db2.gz WCPGZBHMBJAJFW-FMKPAKJESA-N 0 3 318.417 2.196 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)Cc1ccoc1 ZINC001320718111 1140898146 /nfs/dbraw/zinc/89/81/46/1140898146.db2.gz ZXCZUAZQYAXWIP-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=CCO[C@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC001320755293 1140911742 /nfs/dbraw/zinc/91/17/42/1140911742.db2.gz MBRQBEJSFOWECL-JTQLQIEISA-N 0 3 303.271 2.478 20 30 DEEDHN Cc1ccc(CC(=O)NC/C=C\CNCc2cccc(C#N)c2)o1 ZINC001321027427 1141033230 /nfs/dbraw/zinc/03/32/30/1141033230.db2.gz CFEQOXYMQRNASO-IHWYPQMZSA-N 0 3 323.396 2.464 20 30 DEEDHN CC[C@@H](SC)C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001321027850 1141034000 /nfs/dbraw/zinc/03/40/00/1141034000.db2.gz DBROZDQTHXVHET-DWTRPJMMSA-N 0 3 317.458 2.462 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cnn(C(C)C)c1Cl ZINC001321176760 1141075768 /nfs/dbraw/zinc/07/57/68/1141075768.db2.gz UQVPZVBNNPPRGY-VOTSOKGWSA-N 0 3 308.813 2.016 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1sc(CCC)nc1C ZINC001331633445 1141113964 /nfs/dbraw/zinc/11/39/64/1141113964.db2.gz WGFZSLVRQDXGQH-LBPRGKRZSA-N 0 3 307.463 2.477 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1csc2c1CC[C@H](C)C2 ZINC001321375400 1141212210 /nfs/dbraw/zinc/21/22/10/1141212210.db2.gz CHSYGWZWBJCNBC-ZFDPJTLLSA-N 0 3 302.443 2.382 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](OC(C)C)c1ccccc1 ZINC001321443190 1141257891 /nfs/dbraw/zinc/25/78/91/1141257891.db2.gz JHACQMCJJBZZGS-QZEKMECESA-N 0 3 314.429 2.438 20 30 DEEDHN C=C(C)CN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001322197199 1141449886 /nfs/dbraw/zinc/44/98/86/1141449886.db2.gz SSGJUHZPQZYXQL-GFCCVEGCSA-N 0 3 323.824 2.291 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2nc[nH]c21 ZINC001322752969 1141705185 /nfs/dbraw/zinc/70/51/85/1141705185.db2.gz STEXBPQOEBWSMJ-UHFFFAOYSA-N 0 3 306.797 2.367 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001323248851 1141832357 /nfs/dbraw/zinc/83/23/57/1141832357.db2.gz YFSXPBUBEKFOGL-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CCOCC3CC3)C2)CC1 ZINC001323825636 1141889794 /nfs/dbraw/zinc/88/97/94/1141889794.db2.gz LBGXCAURCCZDKT-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2scnc2C)CC1 ZINC001324362737 1142062910 /nfs/dbraw/zinc/06/29/10/1142062910.db2.gz STZUAFDJGCIWSB-UHFFFAOYSA-N 0 3 315.442 2.015 20 30 DEEDHN C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(CCOCC(C)C)CC1 ZINC001324413438 1142073014 /nfs/dbraw/zinc/07/30/14/1142073014.db2.gz MZYGMTNJMFDUID-WMZOPIPTSA-N 0 3 320.477 2.241 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COc2cccc(F)c2)ccc1F ZINC001250825742 1142328894 /nfs/dbraw/zinc/32/88/94/1142328894.db2.gz DQEACWAEZZGQNI-HNNXBMFYSA-N 0 3 318.323 2.366 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1C[C@H](OC)C1(CC)CC ZINC001251528278 1142446150 /nfs/dbraw/zinc/44/61/50/1142446150.db2.gz IWUIIYATPGDKAK-HOTGVXAUSA-N 0 3 323.481 2.177 20 30 DEEDHN O[C@@H](CNCC#C[C@H]1CCCCO1)Cc1cccc(Cl)c1 ZINC001336846726 1142595912 /nfs/dbraw/zinc/59/59/12/1142595912.db2.gz XWCKQRZPRLPTGE-IAGOWNOFSA-N 0 3 307.821 2.406 20 30 DEEDHN CCCCCCCC[C@H](O)CNC1CN(c2cnccn2)C1 ZINC001252139021 1142653510 /nfs/dbraw/zinc/65/35/10/1142653510.db2.gz HKZRRISNJQGHNS-INIZCTEOSA-N 0 3 306.454 2.366 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC[C@H](Oc2ccccc2OC)C1 ZINC001252466560 1142722569 /nfs/dbraw/zinc/72/25/69/1142722569.db2.gz QCHQGEMTNFEHSS-HOTGVXAUSA-N 0 3 321.417 2.102 20 30 DEEDHN C=C[C@@](C)(O)CN1CCN(c2ccc(Cl)c(OC)c2)CC1 ZINC001252559185 1142765955 /nfs/dbraw/zinc/76/59/55/1142765955.db2.gz SFCBDCXONTUOMC-MRXNPFEDSA-N 0 3 310.825 2.408 20 30 DEEDHN CC(C)OC[C@@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC001252700766 1142809612 /nfs/dbraw/zinc/80/96/12/1142809612.db2.gz RVAQCMKONVWDPW-ZDUSSCGKSA-N 0 3 316.323 2.453 20 30 DEEDHN COc1ccc(OC[C@@H](O)CN2CCC[C@H](C#N)CC2)cc1 ZINC001252716084 1142811522 /nfs/dbraw/zinc/81/15/22/1142811522.db2.gz HFLYWYRARJOAPG-GJZGRUSLSA-N 0 3 304.390 2.061 20 30 DEEDHN COc1ccccc1OC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC001252884854 1142827026 /nfs/dbraw/zinc/82/70/26/1142827026.db2.gz NNZFZWCKLSHSPM-LSDHHAIUSA-N 0 3 304.390 2.061 20 30 DEEDHN COc1ccccc1OC[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC001252884852 1142827241 /nfs/dbraw/zinc/82/72/41/1142827241.db2.gz NNZFZWCKLSHSPM-HUUCEWRRSA-N 0 3 304.390 2.061 20 30 DEEDHN COCCc1ccc(OC[C@@H](O)CNCC#CC(C)(C)C)cc1 ZINC001253073162 1142841800 /nfs/dbraw/zinc/84/18/00/1142841800.db2.gz NOCSVYGWALBTPF-KRWDZBQOSA-N 0 3 319.445 2.254 20 30 DEEDHN C#CCn1cc(CNC[C@H](O)c2ccc(F)cc2Cl)cn1 ZINC001338536495 1142862257 /nfs/dbraw/zinc/86/22/57/1142862257.db2.gz YTNVCDYKASIJQY-HNNXBMFYSA-N 0 3 307.756 2.132 20 30 DEEDHN C=CCn1c([C@H](O)CC)nnc1N1CCN(C(C)(C)CC)CC1 ZINC001338830160 1142882956 /nfs/dbraw/zinc/88/29/56/1142882956.db2.gz WCYLTYHERDUZGQ-CQSZACIVSA-N 0 3 321.469 2.218 20 30 DEEDHN C=CCn1c(C2CCN(C)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001339096465 1142923148 /nfs/dbraw/zinc/92/31/48/1142923148.db2.gz XWNJSWLSOGGFGO-ZDUSSCGKSA-N 0 3 302.426 2.012 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001339198794 1142977961 /nfs/dbraw/zinc/97/79/61/1142977961.db2.gz PXTMQJKZNBYOCH-YMAMQOFZSA-N 0 3 323.481 2.035 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2CCN([C@@H](C)CC)CC2)n1C ZINC001339286875 1143006158 /nfs/dbraw/zinc/00/61/58/1143006158.db2.gz WLMJBEJWTPVDNM-AWEZNQCLSA-N 0 3 303.454 2.037 20 30 DEEDHN COc1cccc(OC[C@H](O)CN2CCC[C@@H](C#N)CC2)c1 ZINC001253954502 1143009795 /nfs/dbraw/zinc/00/97/95/1143009795.db2.gz CETMCWWIRVVKSX-HUUCEWRRSA-N 0 3 304.390 2.061 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001278794441 1143254729 /nfs/dbraw/zinc/25/47/29/1143254729.db2.gz AXMKPDUYQDYCMM-GOSISDBHSA-N 0 3 320.408 2.185 20 30 DEEDHN N#C[C@H]1CC[C@H](N2CCCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001254673685 1143309314 /nfs/dbraw/zinc/30/93/14/1143309314.db2.gz MZMIUTVOUKJDJT-ROUUACIJSA-N 0 3 311.429 2.456 20 30 DEEDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254680219 1143311404 /nfs/dbraw/zinc/31/14/04/1143311404.db2.gz VAFHSHHWYPZXGM-KBXIAJHMSA-N 0 3 323.437 2.245 20 30 DEEDHN N#CC1(CNC2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001254995535 1143381110 /nfs/dbraw/zinc/38/11/10/1143381110.db2.gz NTZRZNSJWQHPMK-AYHJJNSGSA-N 0 3 311.429 2.312 20 30 DEEDHN CC[C@H](CC#N)NC1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255053946 1143395516 /nfs/dbraw/zinc/39/55/16/1143395516.db2.gz PHTXVFGMKAXHEM-FFHGMXDLSA-N 0 3 323.437 2.435 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001340695043 1143402674 /nfs/dbraw/zinc/40/26/74/1143402674.db2.gz GOLUKISGFYATRL-OAHLLOKOSA-N 0 3 323.481 2.193 20 30 DEEDHN N#CNC(=N[C@@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC001255099251 1143407549 /nfs/dbraw/zinc/40/75/49/1143407549.db2.gz CODJGQMARXNFNZ-QGZVFWFLSA-N 0 3 305.385 2.173 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC001340805444 1143448204 /nfs/dbraw/zinc/44/82/04/1143448204.db2.gz WKQGJSPOBMBKEB-MRXNPFEDSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC001340873989 1143474782 /nfs/dbraw/zinc/47/47/82/1143474782.db2.gz WOSGEOPDLGNVEF-QWHCGFSZSA-N 0 3 300.406 2.434 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001341502303 1143616452 /nfs/dbraw/zinc/61/64/52/1143616452.db2.gz KTYRILDEHVZEFE-IAGOWNOFSA-N 0 3 324.465 2.247 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1Cn1ccnc1 ZINC001341541399 1143624237 /nfs/dbraw/zinc/62/42/37/1143624237.db2.gz ZGMIKCFTKYOYKA-QGZVFWFLSA-N 0 3 312.417 2.231 20 30 DEEDHN CCCCOCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC001341787979 1143707299 /nfs/dbraw/zinc/70/72/99/1143707299.db2.gz SKNDQPVDBVHXPB-LBPRGKRZSA-N 0 3 304.346 2.159 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001341826016 1143720175 /nfs/dbraw/zinc/72/01/75/1143720175.db2.gz QJXCEIWINHRDMB-DLBZAZTESA-N 0 3 318.417 2.279 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]2F)cc1Cl ZINC001341955981 1143750228 /nfs/dbraw/zinc/75/02/28/1143750228.db2.gz SQTLSJWWIFJLIX-IQJOONFLSA-N 0 3 310.712 2.354 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC001342036774 1143774638 /nfs/dbraw/zinc/77/46/38/1143774638.db2.gz SDLQKBVEYAPFMK-OEYIWLLWSA-N 0 3 300.358 2.313 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(C#N)nc2)C1 ZINC001255596752 1143776371 /nfs/dbraw/zinc/77/63/71/1143776371.db2.gz WZQGUUPIPLTIDU-CQSZACIVSA-N 0 3 302.378 2.052 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1ccc2n[nH]cc2c1)C(C)C ZINC001278914134 1143831020 /nfs/dbraw/zinc/83/10/20/1143831020.db2.gz AWWZMLWEFWWWPJ-UHFFFAOYSA-N 0 3 314.433 2.460 20 30 DEEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cccc(F)n1 ZINC001342718307 1143832135 /nfs/dbraw/zinc/83/21/35/1143832135.db2.gz PXWUHCFJPNNUHB-LSYFEZSPSA-N 0 3 304.321 2.149 20 30 DEEDHN N#CCCN1CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258423574 1144005690 /nfs/dbraw/zinc/00/56/90/1144005690.db2.gz KUPHIDLFTHTOLX-UHFFFAOYSA-N 0 3 316.424 2.326 20 30 DEEDHN N#CC1(c2ccccc2)CC(NCCOC2CCOCC2)C1 ZINC001262207374 1144298904 /nfs/dbraw/zinc/29/89/04/1144298904.db2.gz ZQOPLVZATLMSPY-UHFFFAOYSA-N 0 3 300.402 2.396 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC(=O)OC)c1cccc(C)c1 ZINC001263176555 1144359611 /nfs/dbraw/zinc/35/96/11/1144359611.db2.gz JGNYHYMUMTUUFM-HZPDHXFCSA-N 0 3 318.417 2.399 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCCOC)C(C)(C)[C@H]21 ZINC001264029201 1144444863 /nfs/dbraw/zinc/44/48/63/1144444863.db2.gz AHLMBWAWCSJUKD-PVAVHDDUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001264382742 1144522628 /nfs/dbraw/zinc/52/26/28/1144522628.db2.gz 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ZINC001264740419 1144602649 /nfs/dbraw/zinc/60/26/49/1144602649.db2.gz QZRDXGFEMMIPIM-KRWDZBQOSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccnn1C ZINC001265079045 1144638776 /nfs/dbraw/zinc/63/87/76/1144638776.db2.gz DPIOOPFGZGBUPM-GOEBONIOSA-N 0 3 304.438 2.246 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)Cc2cnn(C)c2)cc1 ZINC001265126415 1144650201 /nfs/dbraw/zinc/65/02/01/1144650201.db2.gz QALMREYULVYOSN-UHFFFAOYSA-N 0 3 324.428 2.043 20 30 DEEDHN CCO[C@H](CN1CCC[C@@H](NC(=O)C#CC(C)C)C1)C1CC1 ZINC001265213336 1144667964 /nfs/dbraw/zinc/66/79/64/1144667964.db2.gz PWSSXWBBRQUOGG-IAGOWNOFSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C(C2CC2)C2CC2)CC1 ZINC001265252740 1144676349 /nfs/dbraw/zinc/67/63/49/1144676349.db2.gz AIYIYYNNEQSQAG-UHFFFAOYSA-N 0 3 319.493 2.123 20 30 DEEDHN C=C[C@H](C(=O)NCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC001265266231 1144677309 /nfs/dbraw/zinc/67/73/09/1144677309.db2.gz FKJQECSSGYHGFS-SFHVURJKSA-N 0 3 315.461 2.098 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC001265394750 1144701784 /nfs/dbraw/zinc/70/17/84/1144701784.db2.gz IJPVWIYNENPEED-MRXNPFEDSA-N 0 3 318.465 2.447 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001265448481 1144704867 /nfs/dbraw/zinc/70/48/67/1144704867.db2.gz YNTSJCDNLIQBSF-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001265592705 1144715993 /nfs/dbraw/zinc/71/59/93/1144715993.db2.gz HVWPPNSQUYTQBT-FUHWJXTLSA-N 0 3 313.445 2.283 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@H](C)C(=O)NC(C)(C)C ZINC001265663560 1144724355 /nfs/dbraw/zinc/72/43/55/1144724355.db2.gz JDXXVYMKVQXMSP-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N(C)C(C)C ZINC001265672418 1144725955 /nfs/dbraw/zinc/72/59/55/1144725955.db2.gz XRXHQMTWUSNLHW-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CC1 ZINC001265693828 1144729414 /nfs/dbraw/zinc/72/94/14/1144729414.db2.gz 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/nfs/dbraw/zinc/80/12/89/1144801289.db2.gz JHFNILUJHQPIDD-ZIAGYGMSSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](N(C)CC#CC)C1 ZINC001266107556 1144805931 /nfs/dbraw/zinc/80/59/31/1144805931.db2.gz FQMVXOYELYHVMP-WMZOPIPTSA-N 0 3 306.450 2.161 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccccn3c2)C1 ZINC001266114274 1144806978 /nfs/dbraw/zinc/80/69/78/1144806978.db2.gz YIKUOLYLVGKPEA-SFHVURJKSA-N 0 3 309.413 2.499 20 30 DEEDHN C[C@@H](CCNC(=O)C#CC1CC1)NCc1c(F)cccc1F ZINC001266144339 1144809492 /nfs/dbraw/zinc/80/94/92/1144809492.db2.gz PXPRBWHCDPDKCH-LBPRGKRZSA-N 0 3 306.356 2.363 20 30 DEEDHN CC#CCN(CCCNC(=O)c1nncc2ccccc21)C1CC1 ZINC001266147870 1144809852 /nfs/dbraw/zinc/80/98/52/1144809852.db2.gz FXNVELMNSMIZIF-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(F)c(F)c(F)c1)C1CC1 ZINC001266161711 1144810799 /nfs/dbraw/zinc/81/07/99/1144810799.db2.gz CUASKLMRSZOHHS-UHFFFAOYSA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN(CCCNC(=O)CO[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC001266161786 1144810847 /nfs/dbraw/zinc/81/08/47/1144810847.db2.gz GFQGXJJSCOTEEY-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001266202183 1144813857 /nfs/dbraw/zinc/81/38/57/1144813857.db2.gz UBPKKRUMPQWOTL-HNNXBMFYSA-N 0 3 300.402 2.390 20 30 DEEDHN C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001266202183 1144813858 /nfs/dbraw/zinc/81/38/58/1144813858.db2.gz UBPKKRUMPQWOTL-HNNXBMFYSA-N 0 3 300.402 2.390 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)COC(C)(C)C ZINC001279304651 1144820393 /nfs/dbraw/zinc/82/03/93/1144820393.db2.gz MIWSNGAXCOEKAU-UHFFFAOYSA-N 0 3 316.445 2.443 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C(=O)C(C)(C)C ZINC001279297661 1144820442 /nfs/dbraw/zinc/82/04/42/1144820442.db2.gz MPJWZSYJUXBMIV-UHFFFAOYSA-N 0 3 314.429 2.243 20 30 DEEDHN CC(C)CCOCCN1CC=C(CNC(=O)C#CC2CC2)CC1 ZINC001279554051 1144824477 /nfs/dbraw/zinc/82/44/77/1144824477.db2.gz IMCUFYDJDGIVAU-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2ccc(OC)cc2)CC1 ZINC001279675697 1144827124 /nfs/dbraw/zinc/82/71/24/1144827124.db2.gz KHHGKXJLLNUGLR-UHFFFAOYSA-N 0 3 300.402 2.172 20 30 DEEDHN C=CCC1(C(=O)NCC2=CCN(CCO)CC2)CCCCC1 ZINC001279688343 1144827184 /nfs/dbraw/zinc/82/71/84/1144827184.db2.gz ZDIFVAFWIMWCIX-UHFFFAOYSA-N 0 3 306.450 2.254 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ncoc2CC)cc1 ZINC001280340219 1144835853 /nfs/dbraw/zinc/83/58/53/1144835853.db2.gz KEPNKOXJIAQFQI-ZDUSSCGKSA-N 0 3 311.385 2.451 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(C)(C)C ZINC001280442840 1144840026 /nfs/dbraw/zinc/84/00/26/1144840026.db2.gz JGJHAGLZDYZCNV-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCNC1(CNC(=O)C2(CCOCC)CCC2)CCC1 ZINC001280480556 1144841881 /nfs/dbraw/zinc/84/18/81/1144841881.db2.gz SVFDYKZZLYZVHN-UHFFFAOYSA-N 0 3 306.450 2.235 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)COc1c(C)cc(C)cc1C ZINC001280880527 1144861140 /nfs/dbraw/zinc/86/11/40/1144861140.db2.gz ILCOIHBGRDHYPG-UHFFFAOYSA-N 0 3 316.445 2.404 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(COC)CCCC2)C(C)(C)C1 ZINC001281559483 1144897233 /nfs/dbraw/zinc/89/72/33/1144897233.db2.gz XIPIFOYDHNETBY-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)C[C@H](C)n2cccn2)C(C)(C)C1 ZINC001281573076 1144898217 /nfs/dbraw/zinc/89/82/17/1144898217.db2.gz ZWWOUJDTCFXUJD-LSDHHAIUSA-N 0 3 304.438 2.237 20 30 DEEDHN C=C(C)CCC(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC001281578987 1144898427 /nfs/dbraw/zinc/89/84/27/1144898427.db2.gz XLKLXVUFXZNESM-UHFFFAOYSA-N 0 3 307.482 2.217 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COC2CCCCC2)C[C@@H]1C ZINC001281668874 1144904210 /nfs/dbraw/zinc/90/42/10/1144904210.db2.gz FQMICHWVOXDMOX-JKSUJKDBSA-N 0 3 306.450 2.328 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2nc(C)cs2)C[C@H]1C ZINC001281670680 1144905120 /nfs/dbraw/zinc/90/51/20/1144905120.db2.gz PRRADFIICXKBOY-CABCVRRESA-N 0 3 319.474 2.377 20 30 DEEDHN Cc1oncc1CN[C@H]1C[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001316613800 1144911621 /nfs/dbraw/zinc/91/16/21/1144911621.db2.gz ABVHTIJVBSKXLS-OTVXOJSOSA-N 0 3 303.406 2.017 20 30 DEEDHN C#CCCCCC(=O)N1CCOC2(CCN(CC=C)CC2)C1 ZINC001281777972 1144913271 /nfs/dbraw/zinc/91/32/71/1144913271.db2.gz QVWFOJDPPKIJIG-UHFFFAOYSA-N 0 3 304.434 2.059 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C2CCC3(CC3)CC2)CC1 ZINC001281806050 1144914932 /nfs/dbraw/zinc/91/49/32/1144914932.db2.gz DONLULJACQUHEM-UHFFFAOYSA-N 0 3 320.477 2.476 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001282094267 1144971298 /nfs/dbraw/zinc/97/12/98/1144971298.db2.gz CKCNDJZFPRGFRS-RYUDHWBXSA-N 0 3 318.421 2.009 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)[C@H](C)NCc2ccnn2C)CC1 ZINC001282185745 1145009544 /nfs/dbraw/zinc/00/95/44/1145009544.db2.gz QOHPLTBBMSBARS-UONOGXRCSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1c(C)nnn1CC ZINC001282191090 1145010485 /nfs/dbraw/zinc/01/04/85/1145010485.db2.gz GDMCSSOFMJIZAH-QWHCGFSZSA-N 0 3 321.469 2.192 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)CCc1ccnn1C ZINC001282470355 1145075235 /nfs/dbraw/zinc/07/52/35/1145075235.db2.gz ZWBJILZXQWHLGW-AWEZNQCLSA-N 0 3 306.454 2.001 20 30 DEEDHN Cc1ccc(CN2CC([C@H](C)NC(=O)CSCC#N)C2)cc1 ZINC001282688657 1145128496 /nfs/dbraw/zinc/12/84/96/1145128496.db2.gz KLXGJEHEKCXQKN-AWEZNQCLSA-N 0 3 317.458 2.188 20 30 DEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(C#N)s1 ZINC001364300722 1145163601 /nfs/dbraw/zinc/16/36/01/1145163601.db2.gz LDMCPTHIAVLOTF-LLVKDONJSA-N 0 3 306.435 2.292 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H]([C@@H](C)NCc2cncs2)C1 ZINC001282910946 1145199251 /nfs/dbraw/zinc/19/92/51/1145199251.db2.gz IHEMICWYMQNIFG-HIFRSBDPSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CC(F)(F)C(F)F)C2)C1 ZINC001282972145 1145221215 /nfs/dbraw/zinc/22/12/15/1145221215.db2.gz HAROZWNDWSBKDN-UHFFFAOYSA-N 0 3 308.319 2.387 20 30 DEEDHN Cc1nc(CNC[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)c(C)s1 ZINC001283042404 1145246359 /nfs/dbraw/zinc/24/63/59/1145246359.db2.gz XVBFACHOXSIXIK-SHTZXODSSA-N 0 3 319.474 2.404 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC001283297009 1145350195 /nfs/dbraw/zinc/35/01/95/1145350195.db2.gz SDAXHKUBDCVQHO-LSDHHAIUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001283424163 1145406890 /nfs/dbraw/zinc/40/68/90/1145406890.db2.gz VGSPILAHPNNPHS-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)N[C@@H]1CCc2ccccc21 ZINC001283792240 1145648724 /nfs/dbraw/zinc/64/87/24/1145648724.db2.gz JVQDARCGPJZCBC-DOTOQJQBSA-N 0 3 316.445 2.343 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccoc1 ZINC001283861359 1145673114 /nfs/dbraw/zinc/67/31/14/1145673114.db2.gz PDWRUNAMTABFKJ-QFBILLFUSA-N 0 3 322.408 2.453 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC001283967465 1145730030 /nfs/dbraw/zinc/73/00/30/1145730030.db2.gz JNNBQUGNVCPHSO-NVXWUHKLSA-N 0 3 304.434 2.106 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)COc3ccsc3)CCC[C@H]12 ZINC001284073093 1145786029 /nfs/dbraw/zinc/78/60/29/1145786029.db2.gz YPPGMAJJEQFDFH-GOEBONIOSA-N 0 3 306.431 2.426 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC001284118737 1145802762 /nfs/dbraw/zinc/80/27/62/1145802762.db2.gz BBINVXGCNSTHAS-RHSMWYFYSA-N 0 3 319.449 2.362 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001284298041 1145832209 /nfs/dbraw/zinc/83/22/09/1145832209.db2.gz WMYHLHOWGVNXJZ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H]1Cc2n[nH]cc2CN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001365345532 1145853263 /nfs/dbraw/zinc/85/32/63/1145853263.db2.gz UNEWHBMHFRMWSW-CYBMUJFWSA-N 0 3 323.400 2.304 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2cc(C3CC3)no2)C1 ZINC001365809494 1146016617 /nfs/dbraw/zinc/01/66/17/1146016617.db2.gz FRRDDRCTXDHDJZ-BJHJDKERSA-N 0 3 323.824 2.331 20 30 DEEDHN CCc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)o1 ZINC001365845159 1146026856 /nfs/dbraw/zinc/02/68/56/1146026856.db2.gz BLANSTNUMDUTMS-KWCYVHTRSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001286234527 1146533513 /nfs/dbraw/zinc/53/35/13/1146533513.db2.gz OCPDKMSKRYJEHQ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc(C)n1CCN1CCc2ccccc2C1 ZINC001286274970 1146547281 /nfs/dbraw/zinc/54/72/81/1146547281.db2.gz LWJBNZWTNDBNPR-HNNXBMFYSA-N 0 3 323.444 2.103 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCOc2ccccc2F)C1 ZINC001491961910 1147021469 /nfs/dbraw/zinc/02/14/69/1147021469.db2.gz BPWRJHXTAIVCCY-OAHLLOKOSA-N 0 3 318.392 2.151 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001366144604 1147077208 /nfs/dbraw/zinc/07/72/08/1147077208.db2.gz ZMGBHLKYRJRGEQ-WQAKAFBOSA-N 0 3 309.772 2.376 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2nc(Cl)cs2)C1 ZINC001480733938 1147242672 /nfs/dbraw/zinc/24/26/72/1147242672.db2.gz WGBNIHGBDORLDQ-LLVKDONJSA-N 0 3 311.838 2.356 20 30 DEEDHN C[C@@H](CCNC(=O)C1=COCCC1)NCc1ccccc1C#N ZINC001366450683 1147288558 /nfs/dbraw/zinc/28/85/58/1147288558.db2.gz YEVXJLQNOWKEGZ-AWEZNQCLSA-N 0 3 313.401 2.237 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001366472843 1147299656 /nfs/dbraw/zinc/29/96/56/1147299656.db2.gz RPYHALOOFCGJJD-AEGPPILISA-N 0 3 314.857 2.286 20 30 DEEDHN C#CCN(C(=O)c1ccc(Cl)cc1N)C1CCN(C)CC1 ZINC001304000304 1147341149 /nfs/dbraw/zinc/34/11/49/1147341149.db2.gz HGMYIUIODXBIEY-UHFFFAOYSA-N 0 3 305.809 2.092 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001366687285 1147482989 /nfs/dbraw/zinc/48/29/89/1147482989.db2.gz IUAWYAVHQCOCSG-OCCSQVGLSA-N 0 3 305.809 2.438 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001316860250 1147509070 /nfs/dbraw/zinc/50/90/70/1147509070.db2.gz SAOLUEQERVGFDJ-UHFFFAOYSA-N 0 3 318.465 2.085 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cn(CCC)nc2C)C1 ZINC001480738987 1147527027 /nfs/dbraw/zinc/52/70/27/1147527027.db2.gz MJMRGJHHWNWYHU-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@H](CCNC(=O)c2cocn2)C1 ZINC001366822141 1147580271 /nfs/dbraw/zinc/58/02/71/1147580271.db2.gz MGZXJYXFXSHOQK-AWEZNQCLSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCC2CCOCC2)CC(C)(C)C1 ZINC001316812446 1147583523 /nfs/dbraw/zinc/58/35/23/1147583523.db2.gz WLEQAWQRXVWUIL-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN Cc1cccc(CN2CC[C@H](NC(=O)CSCC#N)[C@H]2C)c1 ZINC001316775480 1147597253 /nfs/dbraw/zinc/59/72/53/1147597253.db2.gz BLUGCFFPMJKMMC-ZBFHGGJFSA-N 0 3 317.458 2.331 20 30 DEEDHN C#CCN(C)C[C@@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC001316805228 1147603032 /nfs/dbraw/zinc/60/30/32/1147603032.db2.gz RWLVXKKMPNCNAL-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN CC/C=C/CCN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001316942060 1147635781 /nfs/dbraw/zinc/63/57/81/1147635781.db2.gz XUSHUPNZPLLOIU-BWPKMQGJSA-N 0 3 300.406 2.437 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cnn(CC)n2)C1 ZINC001316943473 1147636184 /nfs/dbraw/zinc/63/61/84/1147636184.db2.gz HUULRFMVXVKCSR-HNNXBMFYSA-N 0 3 319.453 2.239 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001316949320 1147637462 /nfs/dbraw/zinc/63/74/62/1147637462.db2.gz POLPRYLEYNUBCH-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001316949320 1147637464 /nfs/dbraw/zinc/63/74/64/1147637464.db2.gz POLPRYLEYNUBCH-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2sccc2CC)CC1 ZINC001316968226 1147640015 /nfs/dbraw/zinc/64/00/15/1147640015.db2.gz RKCYTRYWZCCGSA-UHFFFAOYSA-N 0 3 321.490 2.234 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cnccn2)CC1 ZINC001317008242 1147647642 /nfs/dbraw/zinc/64/76/42/1147647642.db2.gz QRRACCAKFXHOKX-UHFFFAOYSA-N 0 3 302.422 2.369 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CN(C)Cc2cnoc2C)C1 ZINC001317032682 1147650579 /nfs/dbraw/zinc/65/05/79/1147650579.db2.gz HDEDOEVTUXISEO-MRXNPFEDSA-N 0 3 317.433 2.457 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnoc1 ZINC001317050618 1147653180 /nfs/dbraw/zinc/65/31/80/1147653180.db2.gz 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1147694161 /nfs/dbraw/zinc/69/41/61/1147694161.db2.gz NARQLTWFFZBUTB-HUUCEWRRSA-N 0 3 316.449 2.313 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1cncc(OC)n1 ZINC001317402043 1147702205 /nfs/dbraw/zinc/70/22/05/1147702205.db2.gz GSCOHEDWGFYXSE-CYBMUJFWSA-N 0 3 320.437 2.072 20 30 DEEDHN Cc1ncc(CN2CCC[C@H]2CCCNC(=O)C#CC2CC2)o1 ZINC001317421258 1147704423 /nfs/dbraw/zinc/70/44/23/1147704423.db2.gz NFRVDUZSLJNKQE-MRXNPFEDSA-N 0 3 315.417 2.257 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1nccc2ccsc21 ZINC001317453603 1147711206 /nfs/dbraw/zinc/71/12/06/1147711206.db2.gz SKGDFJSYYHRLEX-UHFFFAOYSA-N 0 3 319.430 2.161 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(C)C[C@H](O)C2CCCCC2)C1 ZINC001317461889 1147712175 /nfs/dbraw/zinc/71/21/75/1147712175.db2.gz HUDZKYWWDBWFFB-INIZCTEOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001317536181 1147721721 /nfs/dbraw/zinc/72/17/21/1147721721.db2.gz KBJDDJUJWJKOHW-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001367658128 1147722579 /nfs/dbraw/zinc/72/25/79/1147722579.db2.gz KMNQKXVWYKRJDJ-WBMJQRKESA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCN(CCNC(=O)CCc1nc2ccccc2[nH]1)C1CC1 ZINC001317552629 1147724139 /nfs/dbraw/zinc/72/41/39/1147724139.db2.gz ACZBRIGKOVAOSM-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccc2nc[nH]c2n1)c1ccccc1 ZINC001317720483 1147747163 /nfs/dbraw/zinc/74/71/63/1147747163.db2.gz FWMORZKYCARKCO-INIZCTEOSA-N 0 3 321.384 2.205 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)C2=COCCC2)C1 ZINC001317754468 1147749491 /nfs/dbraw/zinc/74/94/91/1147749491.db2.gz RPTRFAPXVGWUIA-QGZVFWFLSA-N 0 3 322.449 2.196 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C[C@H](F)CC)C2)nc1 ZINC001317856653 1147758141 /nfs/dbraw/zinc/75/81/41/1147758141.db2.gz IFSHPADLEGLTDU-JKSUJKDBSA-N 0 3 317.408 2.205 20 30 DEEDHN C=CCn1c(C)nn(CN2CCN(C(C)(C)C)CC2)c1=S ZINC001317902380 1147760492 /nfs/dbraw/zinc/76/04/92/1147760492.db2.gz RHLIYACEWHPHSW-UHFFFAOYSA-N 0 3 309.483 2.282 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001317978070 1147764530 /nfs/dbraw/zinc/76/45/30/1147764530.db2.gz WGVKYFQDLLUDAI-HOCLYGCPSA-N 0 3 304.438 2.070 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001318197908 1147794977 /nfs/dbraw/zinc/79/49/77/1147794977.db2.gz OKFACJOPCGQMMA-NJAFHUGGSA-N 0 3 318.461 2.280 20 30 DEEDHN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCCCC)[nH]n1 ZINC001318220428 1147799866 /nfs/dbraw/zinc/79/98/66/1147799866.db2.gz WSAAWTAOWWLFRV-HOTGVXAUSA-N 0 3 314.433 2.064 20 30 DEEDHN Cc1ccccc1OCCCN1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001318239881 1147802851 /nfs/dbraw/zinc/80/28/51/1147802851.db2.gz CKYNCTBHYFMIMR-CVEARBPZSA-N 0 3 315.417 2.114 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(C[C@@H](O)C2CCCCC2)C1 ZINC001318252444 1147804651 /nfs/dbraw/zinc/80/46/51/1147804651.db2.gz BEUWKMKYCQLIAD-DLBZAZTESA-N 0 3 320.477 2.168 20 30 DEEDHN Cc1ccccc1OCCCN1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001318320408 1147810296 /nfs/dbraw/zinc/81/02/96/1147810296.db2.gz CKYNCTBHYFMIMR-JKSUJKDBSA-N 0 3 315.417 2.114 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001318403624 1147822121 /nfs/dbraw/zinc/82/21/21/1147822121.db2.gz UPWLTJYMYUWVKX-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001318407308 1147822552 /nfs/dbraw/zinc/82/25/52/1147822552.db2.gz NSISWQLAKFVGTI-INIZCTEOSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001324632488 1147823496 /nfs/dbraw/zinc/82/34/96/1147823496.db2.gz IQEBXDSTBNDRLT-GOSISDBHSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN([C@H](C)COC)CCC1(F)F ZINC001325042562 1147869463 /nfs/dbraw/zinc/86/94/63/1147869463.db2.gz MUIQGLFCCFRTSH-OLZOCXBDSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001325114951 1147876916 /nfs/dbraw/zinc/87/69/16/1147876916.db2.gz PYWAGSJXLOBFMW-INIZCTEOSA-N 0 3 318.408 2.187 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)C[C@@H](C)OC)C2)CC1 ZINC001325352942 1147895272 /nfs/dbraw/zinc/89/52/72/1147895272.db2.gz UAABLOBTRKDNQT-AEFFLSMTSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1cnoc1)c1ccccc1CC ZINC001325366986 1147896584 /nfs/dbraw/zinc/89/65/84/1147896584.db2.gz PMUGHKXXAIWIJI-QGZVFWFLSA-N 0 3 313.401 2.413 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cc(CC)n[nH]1 ZINC001325676408 1147983037 /nfs/dbraw/zinc/98/30/37/1147983037.db2.gz AXFNGPHCJZUDFC-UHFFFAOYSA-N 0 3 324.428 2.227 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC(F)(F)F)C[C@@H]2C1 ZINC001325771953 1147997467 /nfs/dbraw/zinc/99/74/67/1147997467.db2.gz GKSZCRMFHYCQCE-BETUJISGSA-N 0 3 316.367 2.379 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(CC)n(C)n2)C1 ZINC001326446458 1148102158 /nfs/dbraw/zinc/10/21/58/1148102158.db2.gz NCIVNMPFXDUXSG-ZDUSSCGKSA-N 0 3 324.856 2.177 20 30 DEEDHN C=C(C)CCC(=O)N1CC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC001326585175 1148151493 /nfs/dbraw/zinc/15/14/93/1148151493.db2.gz DGOXEMQJYLLPNE-UHFFFAOYSA-N 0 3 316.449 2.201 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCC=CCCC2)CCC1 ZINC001326843732 1148267908 /nfs/dbraw/zinc/26/79/08/1148267908.db2.gz MDRHKEIEQKNPFH-QGZVFWFLSA-N 0 3 318.461 2.401 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cccc3cnccc32)CCC1 ZINC001326844416 1148268226 /nfs/dbraw/zinc/26/82/26/1148268226.db2.gz PNVSFJQAXCBIKK-UHFFFAOYSA-N 0 3 321.424 2.429 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccnc(OC(C)C)c2)CCC1 ZINC001326910518 1148288861 /nfs/dbraw/zinc/28/88/61/1148288861.db2.gz HHZCRFCYRJZZJZ-UHFFFAOYSA-N 0 3 315.417 2.134 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](OC)c2ccc(F)cc2)CCC1 ZINC001326937645 1148294119 /nfs/dbraw/zinc/29/41/19/1148294119.db2.gz LAVTWKYZLFKYOV-INIZCTEOSA-N 0 3 318.392 2.165 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000424173178 230603476 /nfs/dbraw/zinc/60/34/76/230603476.db2.gz NTTQBKOSVWDYKG-KKUMJFAQSA-N 0 3 321.808 2.307 20 30 DEEDHN Cc1ccc(Br)cc1CNC(=O)[C@H](N)CCCC#N ZINC000424177907 230604265 /nfs/dbraw/zinc/60/42/65/230604265.db2.gz VJMPVELBDBAVOC-CYBMUJFWSA-N 0 3 324.222 2.395 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)NC2(C#N)CCCCC2)cc1 ZINC000340634433 282148276 /nfs/dbraw/zinc/14/82/76/282148276.db2.gz UTBHIFKIJVKMLK-UHFFFAOYSA-N 0 3 321.446 2.253 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)s1 ZINC000278756923 214379503 /nfs/dbraw/zinc/37/95/03/214379503.db2.gz SVAVPTFWVXWFRA-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000613215779 362044366 /nfs/dbraw/zinc/04/43/66/362044366.db2.gz KVSXKPZHNXZUOV-SFHVURJKSA-N 0 3 317.433 2.084 20 30 DEEDHN CN1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000294480711 529804300 /nfs/dbraw/zinc/80/43/00/529804300.db2.gz JFFIXYVKPOQMHF-SNVBAGLBSA-N 0 3 322.206 2.002 20 30 DEEDHN CN(CCNC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000269636705 529914903 /nfs/dbraw/zinc/91/49/03/529914903.db2.gz WJORTZOJYGBKEO-MRXNPFEDSA-N 0 3 300.406 2.425 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000614205693 362315026 /nfs/dbraw/zinc/31/50/26/362315026.db2.gz AAGSXNZHWSDIEJ-PBHICJAKSA-N 0 3 303.381 2.434 20 30 DEEDHN CN(CCNC(=O)[C@@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000329993821 282380566 /nfs/dbraw/zinc/38/05/66/282380566.db2.gz LTAXAXNJQHXAFP-AWEZNQCLSA-N 0 3 316.467 2.175 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 ZINC000225631694 186284933 /nfs/dbraw/zinc/28/49/33/186284933.db2.gz YSUNSHHBTPHYCY-UAGQMJEPSA-N 0 3 304.365 2.059 20 30 DEEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)ccc1F ZINC000331972749 234339071 /nfs/dbraw/zinc/33/90/71/234339071.db2.gz RUTBIGVGEMTRPL-DJIMGWMZSA-N 0 3 304.365 2.059 20 30 DEEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)ccc1F ZINC000331972751 234339606 /nfs/dbraw/zinc/33/96/06/234339606.db2.gz RUTBIGVGEMTRPL-OIISXLGYSA-N 0 3 304.365 2.059 20 30 DEEDHN N#Cc1ccc(CNCCCN2CCN(c3ccccc3)CC2)o1 ZINC000174257447 198310870 /nfs/dbraw/zinc/31/08/70/198310870.db2.gz VQSSWHARNDZHDI-UHFFFAOYSA-N 0 3 324.428 2.453 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)CC12CC3CC(CC(C3)C1)C2 ZINC000015403538 354033718 /nfs/dbraw/zinc/03/37/18/354033718.db2.gz KWZWPOWZPXQHOQ-UHFFFAOYSA-N 0 3 319.449 2.146 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000026328325 354082600 /nfs/dbraw/zinc/08/26/00/354082600.db2.gz PBJYKJGGBGVWKN-SFHVURJKSA-N 0 3 321.380 2.302 20 30 DEEDHN C=CCN(CC(=O)NC1CCN(CC)CC1)Cc1ccccc1 ZINC000045840839 354265186 /nfs/dbraw/zinc/26/51/86/354265186.db2.gz MPSFZDUNTGWRRJ-UHFFFAOYSA-N 0 3 315.461 2.275 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CSCC#N)C1 ZINC000056168756 354523992 /nfs/dbraw/zinc/52/39/92/354523992.db2.gz NHHSRJRLIQLMIB-HIFRSBDPSA-N 0 3 303.431 2.195 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccn(-c3ccccc3)n2)CC1 ZINC000057154702 354559158 /nfs/dbraw/zinc/55/91/58/354559158.db2.gz OJMOIHZOMVVVHM-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000057175753 354559725 /nfs/dbraw/zinc/55/97/25/354559725.db2.gz DYEZRJLWDPLOTO-ZDUSSCGKSA-N 0 3 315.373 2.117 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1C#N ZINC000067270784 354754765 /nfs/dbraw/zinc/75/47/65/354754765.db2.gz GCPDZWMWLBJGRB-CYBMUJFWSA-N 0 3 300.406 2.112 20 30 DEEDHN C=C(Cl)CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000073820512 354985552 /nfs/dbraw/zinc/98/55/52/354985552.db2.gz BEGGIQIJAANKRG-UHFFFAOYSA-N 0 3 321.852 2.376 20 30 DEEDHN CCCN(CC#N)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000074226488 355015665 /nfs/dbraw/zinc/01/56/65/355015665.db2.gz LPRULYOVOIWALP-UHFFFAOYSA-N 0 3 314.433 2.204 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000075673212 355100545 /nfs/dbraw/zinc/10/05/45/355100545.db2.gz SMSZBBJEJOJPRH-MSOLQXFVSA-N 0 3 305.418 2.231 20 30 DEEDHN COCCN1CCC[C@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000077218326 355189530 /nfs/dbraw/zinc/18/95/30/355189530.db2.gz UEOSKYFLIAKSPG-ZDUSSCGKSA-N 0 3 311.389 2.024 20 30 DEEDHN C=C(Cl)CNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000077779368 355228391 /nfs/dbraw/zinc/22/83/91/355228391.db2.gz CWSVMOALSIJMHM-UHFFFAOYSA-N 0 3 323.824 2.336 20 30 DEEDHN CCN1CCN(c2ccc(C(=O)NC3(C#N)CCC3)cc2)CC1 ZINC000077983924 355238229 /nfs/dbraw/zinc/23/82/29/355238229.db2.gz MMGHCBPXVMMGIE-UHFFFAOYSA-N 0 3 312.417 2.005 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000079300366 355304797 /nfs/dbraw/zinc/30/47/97/355304797.db2.gz OYWSSHNRSPIHCM-OAHLLOKOSA-N 0 3 314.433 2.236 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080960976 355396259 /nfs/dbraw/zinc/39/62/59/355396259.db2.gz UJLQRUZEQXKJSD-HNNXBMFYSA-N 0 3 323.400 2.490 20 30 DEEDHN C=CCC[C@H](NCCN1CCCS1(=O)=O)c1ccccc1 ZINC000089519912 355535474 /nfs/dbraw/zinc/53/54/74/355535474.db2.gz QVTQQBCZZOYTQO-INIZCTEOSA-N 0 3 308.447 2.319 20 30 DEEDHN N#Cc1ccc2nc(N3CCN(C[C@H]4CCOC4)CC3)ccc2c1 ZINC000092919937 355656883 /nfs/dbraw/zinc/65/68/83/355656883.db2.gz MCKFHGOTWCZZQG-MRXNPFEDSA-N 0 3 322.412 2.265 20 30 DEEDHN COc1ccc(COC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595608923 358500386 /nfs/dbraw/zinc/50/03/86/358500386.db2.gz CEUGZBXJENMIMR-DOTOQJQBSA-N 0 3 318.417 2.198 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000183224211 356163488 /nfs/dbraw/zinc/16/34/88/356163488.db2.gz GQJKVKUPDQRJCM-MRXNPFEDSA-N 0 3 303.406 2.294 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000182772191 356144626 /nfs/dbraw/zinc/14/46/26/356144626.db2.gz NNAYODWIIAJFNP-CQSZACIVSA-N 0 3 302.422 2.356 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@@H](C)S1 ZINC000226669736 356279826 /nfs/dbraw/zinc/27/98/26/356279826.db2.gz SOHBYQVECDATJT-UMVBOHGHSA-N 0 3 306.431 2.124 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCCOC2CCCCC2)cc1 ZINC000320433519 356445409 /nfs/dbraw/zinc/44/54/09/356445409.db2.gz LGJXUEWOKBOCMN-INIZCTEOSA-N 0 3 318.417 2.237 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618355177 363471324 /nfs/dbraw/zinc/47/13/24/363471324.db2.gz QVUWXYFWVPJXDT-GOSISDBHSA-N 0 3 316.445 2.355 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000351178844 356626811 /nfs/dbraw/zinc/62/68/11/356626811.db2.gz SWFRBILCZMZREC-SJKOYZFVSA-N 0 3 312.373 2.478 20 30 DEEDHN N#Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)ncn1 ZINC000384044298 356680908 /nfs/dbraw/zinc/68/09/08/356680908.db2.gz VQKVGNGDBNYDID-DLBZAZTESA-N 0 3 319.412 2.307 20 30 DEEDHN N#Cc1cncc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000401338642 356725971 /nfs/dbraw/zinc/72/59/71/356725971.db2.gz QPBLGAHMKRMZIG-SJORKVTESA-N 0 3 319.412 2.307 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)C(C)C ZINC000531171438 356744802 /nfs/dbraw/zinc/74/48/02/356744802.db2.gz WCKXRIFHXMVYEI-WBVHZDCISA-N 0 3 318.465 2.338 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)s2)CN1C1CC1 ZINC000578061608 356754301 /nfs/dbraw/zinc/75/43/01/356754301.db2.gz VWDGXQXEFBAMII-GHMZBOCLSA-N 0 3 304.419 2.044 20 30 DEEDHN C[C@@H]1CN(C(=O)NCc2ccc(C#N)s2)CCN(C2CC2)C1 ZINC000578126399 356764902 /nfs/dbraw/zinc/76/49/02/356764902.db2.gz XIDSCNGLXINULP-LBPRGKRZSA-N 0 3 318.446 2.245 20 30 DEEDHN CCN1CCN(c2cccc(Nc3cncc(C#N)n3)c2)CC1 ZINC000578345577 356802411 /nfs/dbraw/zinc/80/24/11/356802411.db2.gz NTJXLAXQJXUSTK-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)Nc2cccc(C#N)n2)C1 ZINC000579351445 356961596 /nfs/dbraw/zinc/96/15/96/356961596.db2.gz WQLDNTCUGWXSCA-UHFFFAOYSA-N 0 3 301.394 2.197 20 30 DEEDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584847694 357320874 /nfs/dbraw/zinc/32/08/74/357320874.db2.gz VNAAEYXFRCFMCJ-QCZZGDTMSA-N 0 3 321.808 2.288 20 30 DEEDHN N#C[C@]1(F)CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000585753852 357352413 /nfs/dbraw/zinc/35/24/13/357352413.db2.gz DHNRUWAUMMTIEM-ZWKOTPCHSA-N 0 3 317.408 2.215 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc(C#N)c1 ZINC000589893116 357504182 /nfs/dbraw/zinc/50/41/82/357504182.db2.gz JWADPKJZELZSPS-KBXCAEBGSA-N 0 3 312.417 2.356 20 30 DEEDHN N#Cc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521382 357477902 /nfs/dbraw/zinc/47/79/02/357477902.db2.gz XEDOVFGFNCCOFE-DLBZAZTESA-N 0 3 318.392 2.497 20 30 DEEDHN CN1CCC(N(Cc2ccco2)C(=O)c2cccc(C#N)n2)CC1 ZINC000589615375 357482979 /nfs/dbraw/zinc/48/29/79/357482979.db2.gz PIYYGXPDZRTODR-UHFFFAOYSA-N 0 3 324.384 2.283 20 30 DEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cc2ccccc2o1 ZINC000590605168 357566641 /nfs/dbraw/zinc/56/66/41/357566641.db2.gz BUYBDPVORZLQBB-HIFRSBDPSA-N 0 3 301.390 2.290 20 30 DEEDHN CSc1ccc([C@H](CNC(=O)NC[C@@H](C)C#N)N(C)C)cc1 ZINC000590936274 357647316 /nfs/dbraw/zinc/64/73/16/357647316.db2.gz BMXKAYAHKVRDLF-WFASDCNBSA-N 0 3 320.462 2.470 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000591603810 357741501 /nfs/dbraw/zinc/74/15/01/357741501.db2.gz PKHYOZWZXKHMBY-STQMWFEESA-N 0 3 317.393 2.022 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000592071226 357823949 /nfs/dbraw/zinc/82/39/49/357823949.db2.gz NSNVUJCUDQZUKT-UHFFFAOYSA-N 0 3 315.373 2.304 20 30 DEEDHN CN1CCN(CCCSCC#N)[C@H](Cc2ccccc2)C1 ZINC000593088898 358005488 /nfs/dbraw/zinc/00/54/88/358005488.db2.gz MZQKJURNWVRKBL-QGZVFWFLSA-N 0 3 303.475 2.492 20 30 DEEDHN CC[C@H](C#N)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000593459980 358083523 /nfs/dbraw/zinc/08/35/23/358083523.db2.gz YDHPNMOVRAEPSB-CQSZACIVSA-N 0 3 307.438 2.076 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000593614349 358111423 /nfs/dbraw/zinc/11/14/23/358111423.db2.gz RFLJAYUVPLVPTM-CQSZACIVSA-N 0 3 300.406 2.317 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000593881761 358164254 /nfs/dbraw/zinc/16/42/54/358164254.db2.gz ABHPPMMUOMWMTM-SFHVURJKSA-N 0 3 324.428 2.185 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000593906300 358168673 /nfs/dbraw/zinc/16/86/73/358168673.db2.gz UADXWYKITQIXDB-LBPRGKRZSA-N 0 3 322.368 2.005 20 30 DEEDHN Cn1cncc1CCCN1CCN(c2ccccc2C#N)CC1 ZINC000593953679 358176743 /nfs/dbraw/zinc/17/67/43/358176743.db2.gz IBGYRZNUEGFNPY-UHFFFAOYSA-N 0 3 309.417 2.047 20 30 DEEDHN N#Cc1ccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)nc1 ZINC000593975957 358182389 /nfs/dbraw/zinc/18/23/89/358182389.db2.gz LQRHZWXEJXFJDD-SFHVURJKSA-N 0 3 304.353 2.049 20 30 DEEDHN C=CCSCCN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000180456408 199161016 /nfs/dbraw/zinc/16/10/16/199161016.db2.gz DHHVHBAVMCVTRV-GFCCVEGCSA-N 0 3 314.476 2.165 20 30 DEEDHN C[C@@H](Cc1ccccn1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000594140212 358212807 /nfs/dbraw/zinc/21/28/07/358212807.db2.gz JGUZMYJUBMKXDC-WMLDXEAASA-N 0 3 318.380 2.383 20 30 DEEDHN N#CCCCCS(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000594854637 358349085 /nfs/dbraw/zinc/34/90/85/358349085.db2.gz UKSOZMZKSNYZCC-CQSZACIVSA-N 0 3 313.467 2.007 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000595807516 358553601 /nfs/dbraw/zinc/55/36/01/358553601.db2.gz PVXBLKQBQRVMDT-INIZCTEOSA-N 0 3 300.406 2.184 20 30 DEEDHN CN(C)C1(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCC1 ZINC000618829658 363612198 /nfs/dbraw/zinc/61/21/98/363612198.db2.gz FWNBXSMJXCEYSE-INIZCTEOSA-N 0 3 312.417 2.329 20 30 DEEDHN Cc1ccc(C#N)nc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000596190611 358634983 /nfs/dbraw/zinc/63/49/83/358634983.db2.gz UIKANECZEVWLRA-GOSISDBHSA-N 0 3 322.412 2.440 20 30 DEEDHN Cn1ncc(C#N)c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596437126 358686592 /nfs/dbraw/zinc/68/65/92/358686592.db2.gz TXINLROLECZAPU-UHFFFAOYSA-N 0 3 310.405 2.011 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)NCCc1ccc(C#N)cc1 ZINC000596478675 358695592 /nfs/dbraw/zinc/69/55/92/358695592.db2.gz IOJMBWOKDKQYCY-KRWDZBQOSA-N 0 3 314.433 2.274 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](C(=O)OC)C2)cc1OC ZINC000597218988 358857613 /nfs/dbraw/zinc/85/76/13/358857613.db2.gz XPUGVHWFQYONRM-OKILXGFUSA-N 0 3 305.374 2.301 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000598510290 359225337 /nfs/dbraw/zinc/22/53/37/359225337.db2.gz OWQUSZIUVHJBTF-CJNGLKHVSA-N 0 3 302.374 2.158 20 30 DEEDHN CO[C@@]1(C(F)(F)F)CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598606606 359259046 /nfs/dbraw/zinc/25/90/46/359259046.db2.gz IEZKXGAUUJPMHA-AAEUAGOBSA-N 0 3 308.344 2.330 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000598585949 359250579 /nfs/dbraw/zinc/25/05/79/359250579.db2.gz BZFFURSDSMCAIO-MRXNPFEDSA-N 0 3 315.417 2.051 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598587550 359252397 /nfs/dbraw/zinc/25/23/97/359252397.db2.gz BTEOYVXKJLYZNZ-AEFFLSMTSA-N 0 3 315.461 2.493 20 30 DEEDHN COc1ccc2c(c1)OCC[C@H]2NC[C@@H](O)CC(C)(C)C#N ZINC000598722252 359305255 /nfs/dbraw/zinc/30/52/55/359305255.db2.gz ZKGWZEMQNRACKA-SWLSCSKDSA-N 0 3 304.390 2.409 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc2c1OCCCO2 ZINC000598725393 359306612 /nfs/dbraw/zinc/30/66/12/359306612.db2.gz OORSADKCZUGRTM-CQSZACIVSA-N 0 3 304.390 2.238 20 30 DEEDHN CN(C)C(=O)Nc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598724982 359306920 /nfs/dbraw/zinc/30/69/20/359306920.db2.gz SMUFSHBLKYVGIC-OAHLLOKOSA-N 0 3 318.421 2.170 20 30 DEEDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC(C)(C)C#N ZINC000598615522 359262064 /nfs/dbraw/zinc/26/20/64/359262064.db2.gz CEQBCMFLFATSMV-AWEZNQCLSA-N 0 3 305.378 2.370 20 30 DEEDHN COc1cccc([C@@H]2C[C@H](O)CN2C[C@H](O)CC(C)(C)C#N)c1 ZINC000598619949 359262489 /nfs/dbraw/zinc/26/24/89/359262489.db2.gz QJMWGVLKLSKEFA-UXLLHSPISA-N 0 3 318.417 2.104 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000598622039 359264408 /nfs/dbraw/zinc/26/44/08/359264408.db2.gz XVGXXAHVRFMNHG-OWCLPIDISA-N 0 3 306.381 2.234 20 30 DEEDHN CC[C@](C)(C(=O)OC)N(C[C@@H](O)CC(C)(C)C#N)CC1CC1 ZINC000598622046 359264722 /nfs/dbraw/zinc/26/47/22/359264722.db2.gz KLXWISBLDZIRIO-WMLDXEAASA-N 0 3 310.438 2.341 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ncc(C#N)cc1Cl ZINC000427909569 237037019 /nfs/dbraw/zinc/03/70/19/237037019.db2.gz CANRUVYDSZIJQC-NWDGAFQWSA-N 0 3 320.824 2.457 20 30 DEEDHN CCC(C#N)(CC)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000599347285 359471669 /nfs/dbraw/zinc/47/16/69/359471669.db2.gz GCYPFRYWAXFCFT-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000667840538 540537298 /nfs/dbraw/zinc/53/72/98/540537298.db2.gz STLORJWHQGHDHG-CABCVRRESA-N 0 3 317.389 2.024 20 30 DEEDHN COc1cc(NC(=O)N(C)C[C@@H]2CCCN2C)c(F)cc1C#N ZINC000599807568 359601197 /nfs/dbraw/zinc/60/11/97/359601197.db2.gz BAHUZSSINMIHPA-LBPRGKRZSA-N 0 3 320.368 2.264 20 30 DEEDHN CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1C[C@@H](C)O ZINC000186970170 200040849 /nfs/dbraw/zinc/04/08/49/200040849.db2.gz AOPINTJQABVMHP-DYVFJYSZSA-N 0 3 321.852 2.489 20 30 DEEDHN CSC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000187819833 200161708 /nfs/dbraw/zinc/16/17/08/200161708.db2.gz GTJDVZCRDIAKBJ-AWEZNQCLSA-N 0 3 306.431 2.125 20 30 DEEDHN Cc1ccc(CCNC[C@H](O)COc2ccccc2C#N)o1 ZINC000600715284 359807834 /nfs/dbraw/zinc/80/78/34/359807834.db2.gz BAKLMTNTKYFNQX-HNNXBMFYSA-N 0 3 300.358 2.032 20 30 DEEDHN C=CCOc1ccc(CNCC2(C(=O)OC)CC2)cc1OC ZINC000188688707 200287834 /nfs/dbraw/zinc/28/78/34/200287834.db2.gz UWPKMXYPZYVXMM-UHFFFAOYSA-N 0 3 305.374 2.303 20 30 DEEDHN CC[C@@H](C)[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)OC ZINC000602442724 360374859 /nfs/dbraw/zinc/37/48/59/360374859.db2.gz WQDIHWWRLOZYND-GDBMZVCRSA-N 0 3 302.422 2.136 20 30 DEEDHN CC[C@H](C)[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)OC ZINC000602442725 360375510 /nfs/dbraw/zinc/37/55/10/360375510.db2.gz WQDIHWWRLOZYND-GOEBONIOSA-N 0 3 302.422 2.136 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCC(=O)N(C)C1CCCCC1 ZINC000602565106 360436227 /nfs/dbraw/zinc/43/62/27/360436227.db2.gz PQBLLWUMNDBNFH-OAHLLOKOSA-N 0 3 321.465 2.466 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000602495494 360405607 /nfs/dbraw/zinc/40/56/07/360405607.db2.gz WEHIOTALFSUCEP-CYBMUJFWSA-N 0 3 308.389 2.328 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000602495494 360405609 /nfs/dbraw/zinc/40/56/09/360405609.db2.gz WEHIOTALFSUCEP-CYBMUJFWSA-N 0 3 308.389 2.328 20 30 DEEDHN COC[C@@]1(CNCc2cccc(C#N)n2)OCCc2ccccc21 ZINC000602668705 360487434 /nfs/dbraw/zinc/48/74/34/360487434.db2.gz FVNXSDGMWWUBIY-LJQANCHMSA-N 0 3 323.396 2.157 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN(C)CCCC ZINC000668730517 540718628 /nfs/dbraw/zinc/71/86/28/540718628.db2.gz PGHXZLHGWQEVDJ-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN Cn1cc([C@H]2CN(CC3(CC#N)CC3)CC23CCOCC3)cn1 ZINC000602843106 360585005 /nfs/dbraw/zinc/58/50/05/360585005.db2.gz UXCUNMIADRRUMW-MRXNPFEDSA-N 0 3 314.433 2.310 20 30 DEEDHN N#C[C@H]1CC[C@H](NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000442708857 238065558 /nfs/dbraw/zinc/06/55/58/238065558.db2.gz LWGJDECNGPLPER-HOTGVXAUSA-N 0 3 306.431 2.273 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000602917826 360624804 /nfs/dbraw/zinc/62/48/04/360624804.db2.gz KEEYHRMWRQYZPW-LESCRADOSA-N 0 3 315.417 2.114 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000442852084 238086857 /nfs/dbraw/zinc/08/68/57/238086857.db2.gz XOKXOXJKFSYCAP-UKRRQHHQSA-N 0 3 319.430 2.008 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCCN(c3ccncc3)CC2)cc1 ZINC000603082586 360692776 /nfs/dbraw/zinc/69/27/76/360692776.db2.gz GKNXXJJYZWVTFL-UHFFFAOYSA-N 0 3 306.369 2.306 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603085029 360693895 /nfs/dbraw/zinc/69/38/95/360693895.db2.gz ZVARTCCDCTWSNZ-UHFFFAOYSA-N 0 3 321.384 2.009 20 30 DEEDHN C[C@H](CNC(=O)Nc1ccnc(C#N)c1)N1CCC(C)CC1 ZINC000603140737 360717846 /nfs/dbraw/zinc/71/78/46/360717846.db2.gz ZQOXJWNAOYEAHX-CYBMUJFWSA-N 0 3 301.394 2.195 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN(CC)CCC ZINC000669219923 540801194 /nfs/dbraw/zinc/80/11/94/540801194.db2.gz FYWIEOYVENOYLT-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)Cn1cc(CNC2CCCCC2)nn1 ZINC000603266241 360771084 /nfs/dbraw/zinc/77/10/84/360771084.db2.gz DZPLYDODSVDTJB-OAHLLOKOSA-N 0 3 305.426 2.001 20 30 DEEDHN N#Cc1ccc(F)c(Cn2cc(CCN3CCCCC3)nn2)c1 ZINC000603195570 360741366 /nfs/dbraw/zinc/74/13/66/360741366.db2.gz WOWFWBANRUCJGI-UHFFFAOYSA-N 0 3 313.380 2.366 20 30 DEEDHN CCC[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000608815879 361269165 /nfs/dbraw/zinc/26/91/65/361269165.db2.gz MVHIVOPFFPBITL-HZPDHXFCSA-N 0 3 300.406 2.102 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1cccc(C#N)c1 ZINC000610406564 361395057 /nfs/dbraw/zinc/39/50/57/361395057.db2.gz DNTZUGCLTTVQFM-PBHICJAKSA-N 0 3 312.417 2.499 20 30 DEEDHN C[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)N(C)C1CC1 ZINC000610404817 361395517 /nfs/dbraw/zinc/39/55/17/361395517.db2.gz PGTOYJFUQLPCHK-STQMWFEESA-N 0 3 300.406 2.401 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(Cc1cc(C#N)ccc1OC)CC2 ZINC000610962195 361500163 /nfs/dbraw/zinc/50/01/63/361500163.db2.gz FTYPHMHLDPZPFV-OAHLLOKOSA-N 0 3 314.385 2.342 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000611205263 361549045 /nfs/dbraw/zinc/54/90/45/361549045.db2.gz RGELPCBZAXIALT-NVXWUHKLSA-N 0 3 313.401 2.022 20 30 DEEDHN C[C@@H](NC[C@H](O)COCc1ccco1)c1cccc(C#N)c1 ZINC000611387788 361589359 /nfs/dbraw/zinc/58/93/59/361589359.db2.gz GPQIRYJVCUXWFW-CJNGLKHVSA-N 0 3 300.358 2.380 20 30 DEEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCC(=O)N(C)CCC#N ZINC000611554332 361628823 /nfs/dbraw/zinc/62/88/23/361628823.db2.gz LWEOKBQLYWPHEM-NWDGAFQWSA-N 0 3 305.344 2.411 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(F)CC2)cc1 ZINC000619457579 363802560 /nfs/dbraw/zinc/80/25/60/363802560.db2.gz YMHJMFKIALDXMW-AWEZNQCLSA-N 0 3 303.312 2.498 20 30 DEEDHN CS(=O)(=O)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619466004 363805244 /nfs/dbraw/zinc/80/52/44/363805244.db2.gz AKPZXJOTAGWSGK-OAHLLOKOSA-N 0 3 304.415 2.102 20 30 DEEDHN CC(C)N(CCNS(=O)(=O)c1cccc(CC#N)c1)C(C)C ZINC000619474086 363807327 /nfs/dbraw/zinc/80/73/27/363807327.db2.gz YCWPBAOPSDIDNU-UHFFFAOYSA-N 0 3 323.462 2.150 20 30 DEEDHN CC1(C)C[C@H](NCC(=O)NCc2ccc(C#N)cc2)C(C)(C)O1 ZINC000275428740 212327227 /nfs/dbraw/zinc/32/72/27/212327227.db2.gz HFYICLUOHNUGGF-HNNXBMFYSA-N 0 3 315.417 2.110 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623512694 365058431 /nfs/dbraw/zinc/05/84/31/365058431.db2.gz QWXWSYKGQPXDRF-SUMWQHHRSA-N 0 3 316.380 2.477 20 30 DEEDHN CN(Cc1cc(C#N)n(C)c1)C1CCN(CC(F)(F)F)CC1 ZINC000449757233 241051793 /nfs/dbraw/zinc/05/17/93/241051793.db2.gz CUUMTQVIVUCMKX-UHFFFAOYSA-N 0 3 314.355 2.355 20 30 DEEDHN O[C@H]1CCC[C@H]1N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000676715245 541488644 /nfs/dbraw/zinc/48/86/44/541488644.db2.gz VLCGYUMZRWLKGB-MSOLQXFVSA-N 0 3 318.848 2.223 20 30 DEEDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)NC1(C#N)CCC1 ZINC000337382551 299371379 /nfs/dbraw/zinc/37/13/79/299371379.db2.gz DRJATNMCHPCACL-QJPTWQEYSA-N 0 3 315.364 2.077 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000677478677 541594629 /nfs/dbraw/zinc/59/46/29/541594629.db2.gz CJIPPECGSYRYBW-INIZCTEOSA-N 0 3 303.406 2.210 20 30 DEEDHN C=C(CC)CNCc1ccc(OCCN2CCOCC2)cc1 ZINC000631154254 368049907 /nfs/dbraw/zinc/04/99/07/368049907.db2.gz SUGBYQQCIDIVMG-UHFFFAOYSA-N 0 3 304.434 2.453 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000678219389 541694016 /nfs/dbraw/zinc/69/40/16/541694016.db2.gz BXVNDAQXJBHTOY-INIZCTEOSA-N 0 3 306.406 2.028 20 30 DEEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000678744687 541761243 /nfs/dbraw/zinc/76/12/43/541761243.db2.gz MLTVLUYTESTSQR-HZPDHXFCSA-N 0 3 320.433 2.131 20 30 DEEDHN CN(CCCOc1cccc(C#N)c1)C1(C(N)=O)CCCC1 ZINC000093214344 193217650 /nfs/dbraw/zinc/21/76/50/193217650.db2.gz ATUTWGQIAFSVOB-UHFFFAOYSA-N 0 3 301.390 2.057 20 30 DEEDHN C=CCC[C@H](CO)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453364206 245091877 /nfs/dbraw/zinc/09/18/77/245091877.db2.gz QZQMUSGVVLTGML-IUODEOHRSA-N 0 3 312.435 2.036 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453427832 245134998 /nfs/dbraw/zinc/13/49/98/245134998.db2.gz XITBBWUVKJBFFX-AWEZNQCLSA-N 0 3 303.454 2.337 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264571348 204003137 /nfs/dbraw/zinc/00/31/37/204003137.db2.gz HPTZSKHBPIYWBT-MRXNPFEDSA-N 0 3 313.401 2.024 20 30 DEEDHN C#CCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000265079447 204383450 /nfs/dbraw/zinc/38/34/50/204383450.db2.gz PXEUGXAIBLWIAQ-CQSZACIVSA-N 0 3 305.447 2.283 20 30 DEEDHN COCC#CCNC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000679438113 541854849 /nfs/dbraw/zinc/85/48/49/541854849.db2.gz OZUMYUCBATYNHL-UHFFFAOYSA-N 0 3 316.323 2.497 20 30 DEEDHN C=CCOCCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000679588659 541880747 /nfs/dbraw/zinc/88/07/47/541880747.db2.gz IASRQIRHWWVVAO-KRWDZBQOSA-N 0 3 319.449 2.354 20 30 DEEDHN C=CCOCCCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000266279097 205233275 /nfs/dbraw/zinc/23/32/75/205233275.db2.gz JULKEEMYHYGZTD-UHFFFAOYSA-N 0 3 320.433 2.226 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnn(CC(C)C)c2)CC1 ZINC000266391975 205315093 /nfs/dbraw/zinc/31/50/93/205315093.db2.gz NBJASXNSGGCHIO-UHFFFAOYSA-N 0 3 305.426 2.311 20 30 DEEDHN CC(C)C[C@H](CN(C)C)NC(=O)CNc1cccc(C#N)c1 ZINC000154993096 291598503 /nfs/dbraw/zinc/59/85/03/291598503.db2.gz BLYGEAZLRAHPGW-MRXNPFEDSA-N 0 3 302.422 2.063 20 30 DEEDHN C=CCOCCN[C@H](CN1CCOCC1)c1ccccc1C ZINC000680348775 541990467 /nfs/dbraw/zinc/99/04/67/541990467.db2.gz DHLOODKZWNCVGV-GOSISDBHSA-N 0 3 304.434 2.161 20 30 DEEDHN C[C@H](O)CN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000456589925 247293404 /nfs/dbraw/zinc/29/34/04/247293404.db2.gz OOSBOYRADFXBJM-JSGCOSHPSA-N 0 3 310.344 2.233 20 30 DEEDHN COCCN(CCOc1cccc(C#N)c1)[C@H]1CCO[C@H]1C ZINC000489500831 248841306 /nfs/dbraw/zinc/84/13/06/248841306.db2.gz OJYVLTLCMWUVQQ-YOEHRIQHSA-N 0 3 304.390 2.063 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCc2c(C)noc2C)CC1 ZINC000106040067 194181311 /nfs/dbraw/zinc/18/13/11/194181311.db2.gz QJEREXNWLGCDBV-UHFFFAOYSA-N 0 3 305.422 2.381 20 30 DEEDHN CC1(C2CCN(CCOc3ccccc3C#N)CC2)OCCO1 ZINC000268474292 206740487 /nfs/dbraw/zinc/74/04/87/206740487.db2.gz NIQCCRJUTUOESL-UHFFFAOYSA-N 0 3 316.401 2.412 20 30 DEEDHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1C#N ZINC000285349564 218392680 /nfs/dbraw/zinc/39/26/80/218392680.db2.gz ARBPLAVAVQUGAG-RHSMWYFYSA-N 0 3 315.417 2.350 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccc(OC)c(C)c2)CC1 ZINC000268955824 207119557 /nfs/dbraw/zinc/11/95/57/207119557.db2.gz ADNQINIRCQVJLH-UHFFFAOYSA-N 0 3 318.417 2.149 20 30 DEEDHN C=C(C)COc1cc(CN[C@H]2CCCCNC2=O)ccc1OC ZINC000057961787 184064082 /nfs/dbraw/zinc/06/40/82/184064082.db2.gz PNBAJOMLXFBXNI-HNNXBMFYSA-N 0 3 318.417 2.408 20 30 DEEDHN COc1cc(NC(=O)NCCCC#N)ccc1OCCN(C)C ZINC000417677125 532995586 /nfs/dbraw/zinc/99/55/86/532995586.db2.gz FAJSXMCNGIXEBS-UHFFFAOYSA-N 0 3 320.393 2.061 20 30 DEEDHN N#Cc1cccc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000270093574 208153498 /nfs/dbraw/zinc/15/34/98/208153498.db2.gz XZUZVPWMHLHKHC-AEFFLSMTSA-N 0 3 322.412 2.248 20 30 DEEDHN CCOC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000286322233 218917250 /nfs/dbraw/zinc/91/72/50/218917250.db2.gz WPVDJBMNHTWCOK-CQSZACIVSA-N 0 3 307.394 2.357 20 30 DEEDHN C#CCN(C(=O)NCCCNCc1cccnc1)C1CCCC1 ZINC000491430490 533085256 /nfs/dbraw/zinc/08/52/56/533085256.db2.gz YDLODWYVNZSFCU-UHFFFAOYSA-N 0 3 314.433 2.149 20 30 DEEDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000331124592 533134011 /nfs/dbraw/zinc/13/40/11/533134011.db2.gz CRUROQPVJLBCGG-WDEREUQCSA-N 0 3 307.350 2.391 20 30 DEEDHN C#CCNC(=O)CCNC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000491747429 533164103 /nfs/dbraw/zinc/16/41/03/533164103.db2.gz RLZNNSBPNWBMIM-CQSZACIVSA-N 0 3 312.335 2.137 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000151769832 196724971 /nfs/dbraw/zinc/72/49/71/196724971.db2.gz KVYIMCURSIHSCH-JXMROGBWSA-N 0 3 315.417 2.401 20 30 DEEDHN CCc1nnc(N2CCN(C3CC3)C[C@H](C)C2)c(C#N)c1CC ZINC000294913531 224307275 /nfs/dbraw/zinc/30/72/75/224307275.db2.gz JFFQXMPFDVIVDN-ZDUSSCGKSA-N 0 3 313.449 2.394 20 30 DEEDHN COCCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000299367399 533223304 /nfs/dbraw/zinc/22/33/04/533223304.db2.gz ZHZWRNQEEDQKHN-UHFFFAOYSA-N 0 3 317.433 2.265 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H](CO)C2CCCCC2)cc1 ZINC000543837850 285320322 /nfs/dbraw/zinc/32/03/22/285320322.db2.gz BCYZMNLMOGYTIE-MRXNPFEDSA-N 0 3 301.390 2.028 20 30 DEEDHN N#Cc1ccnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000295030674 224390871 /nfs/dbraw/zinc/39/08/71/224390871.db2.gz NAWJZVWBKLHQKO-KRWDZBQOSA-N 0 3 323.400 2.051 20 30 DEEDHN N#Cc1cccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000355344497 133019066 /nfs/dbraw/zinc/01/90/66/133019066.db2.gz RKIHSNKHPZBXOK-GOSISDBHSA-N 0 3 321.380 2.377 20 30 DEEDHN N#Cc1ccc(OCCN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000359622325 133135043 /nfs/dbraw/zinc/13/50/43/133135043.db2.gz AZJHUXHFUJYDHB-QGZVFWFLSA-N 0 3 300.333 2.399 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000360392399 133179399 /nfs/dbraw/zinc/17/93/99/133179399.db2.gz IUGYZFJQQYMJNT-DAXOMENPSA-N 0 3 317.458 2.166 20 30 DEEDHN N#Cc1nccnc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000368133217 133261663 /nfs/dbraw/zinc/26/16/63/133261663.db2.gz UEGWHIXXUBXKJB-IRXDYDNUSA-N 0 3 319.412 2.307 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377715190 133343261 /nfs/dbraw/zinc/34/32/61/133343261.db2.gz BJJZZRLFCTXNRD-QFBILLFUSA-N 0 3 312.461 2.331 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)NCC(C)(C)CCC#N)cc1 ZINC000344972134 404478467 /nfs/dbraw/zinc/47/84/67/404478467.db2.gz AQGPYKLCVSXMAW-UHFFFAOYSA-N 0 3 323.462 2.356 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000346689042 146124721 /nfs/dbraw/zinc/12/47/21/146124721.db2.gz PUZXLFYQRFWGKW-CZUORRHYSA-N 0 3 308.385 2.452 20 30 DEEDHN C[C@@H](N[C@@H](C)CCN1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000349378096 146373875 /nfs/dbraw/zinc/37/38/75/146373875.db2.gz KZFDOKIHTPWFAI-LSDHHAIUSA-N 0 3 318.440 2.374 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000372154181 148175611 /nfs/dbraw/zinc/17/56/11/148175611.db2.gz DCLORNLJKLRKLS-KBMXLJTQSA-N 0 3 313.401 2.244 20 30 DEEDHN CCOc1cccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000112537318 401748356 /nfs/dbraw/zinc/74/83/56/401748356.db2.gz ZJSHTJYIXMKHOK-KBPBESRZSA-N 0 3 303.406 2.496 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000127248615 401726064 /nfs/dbraw/zinc/72/60/64/401726064.db2.gz SFTRTOHWPMPBHF-MRXNPFEDSA-N 0 3 305.422 2.181 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N(C)CCN1CCCC1 ZINC000127322195 401729392 /nfs/dbraw/zinc/72/93/92/401729392.db2.gz OQXIHKBAFYYAHN-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C=CCN(CCN1C(=O)NC(C)(C)C1=O)CC1CCCCC1 ZINC000112202314 401733098 /nfs/dbraw/zinc/73/30/98/401733098.db2.gz LVERYTGWHXMLOV-UHFFFAOYSA-N 0 3 307.438 2.385 20 30 DEEDHN CC(C)N1CC[C@@H](NCc2ccc(N(C)CCC#N)cc2)C1=O ZINC000114774803 401809537 /nfs/dbraw/zinc/80/95/37/401809537.db2.gz LOBREVUKAXHKCY-QGZVFWFLSA-N 0 3 314.433 2.135 20 30 DEEDHN C#CCOc1ccccc1CNCC1(C(=O)N(C)C)CCCC1 ZINC000113348434 401776659 /nfs/dbraw/zinc/77/66/59/401776659.db2.gz JGJSRDYQWMDUFL-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000134924961 401920353 /nfs/dbraw/zinc/92/03/53/401920353.db2.gz YQXGBJOGTDXXEC-RHSMWYFYSA-N 0 3 320.396 2.346 20 30 DEEDHN C=CCNc1ncc(C(=O)NCCN2CCCCCC2)s1 ZINC000136148359 401961496 /nfs/dbraw/zinc/96/14/96/401961496.db2.gz XWFSQGNKFHCMPW-UHFFFAOYSA-N 0 3 308.451 2.347 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CCCC2)CC1 ZINC000045769101 401962021 /nfs/dbraw/zinc/96/20/21/401962021.db2.gz VOODPUZAJARLLY-MRXNPFEDSA-N 0 3 307.482 2.360 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]([C@H](C)O)C1 ZINC000089931097 401974171 /nfs/dbraw/zinc/97/41/71/401974171.db2.gz CYHMSJVSTXMCDZ-ZFWWWQNUSA-N 0 3 304.390 2.038 20 30 DEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000135595562 401946650 /nfs/dbraw/zinc/94/66/50/401946650.db2.gz UCNCHFURNRQGRV-AEFFLSMTSA-N 0 3 310.401 2.335 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](CC(C)C)c1ccccc1 ZINC000123771325 402145085 /nfs/dbraw/zinc/14/50/85/402145085.db2.gz OZCIDHCBKJPLNP-HNNXBMFYSA-N 0 3 303.406 2.375 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN(C)C1CC1 ZINC000066923910 402146765 /nfs/dbraw/zinc/14/67/65/402146765.db2.gz VVUBQKDQMYCYDN-QGZVFWFLSA-N 0 3 315.417 2.172 20 30 DEEDHN C=CCOc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000106380471 402213513 /nfs/dbraw/zinc/21/35/13/402213513.db2.gz QXXLKPVRTASUMH-GOSISDBHSA-N 0 3 302.418 2.204 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)S1 ZINC000070383304 402259610 /nfs/dbraw/zinc/25/96/10/402259610.db2.gz LEHQAZBNVNUOEV-GUTXKFCHSA-N 0 3 306.431 2.124 20 30 DEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000154356111 402208122 /nfs/dbraw/zinc/20/81/22/402208122.db2.gz PTLWRQSHLBKOJM-OAHLLOKOSA-N 0 3 300.406 2.194 20 30 DEEDHN CCC(=O)N[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000155924680 402270946 /nfs/dbraw/zinc/27/09/46/402270946.db2.gz OWPNCCASAQDMQD-INIZCTEOSA-N 0 3 315.417 2.318 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](COCC)C2)CC1 ZINC000176054962 402273668 /nfs/dbraw/zinc/27/36/68/402273668.db2.gz YHILPKKCPVCLFT-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CC1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000176628615 402324811 /nfs/dbraw/zinc/32/48/11/402324811.db2.gz IUPRNQFXGVCABQ-UHFFFAOYSA-N 0 3 323.481 2.483 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)C(=O)NC)c([O-])c1 ZINC000157189220 402292899 /nfs/dbraw/zinc/29/28/99/402292899.db2.gz DKROGDFCVLDVQP-YBFXNURJSA-N 0 3 305.422 2.430 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1[C@@H]2CCC[C@H]12 ZINC000176246002 402294163 /nfs/dbraw/zinc/29/41/63/402294163.db2.gz BWUFOSIBWZQAIR-JWTNVVGKSA-N 0 3 311.429 2.495 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](C)c2ncc(C)s2)CC1 ZINC000184758378 402297757 /nfs/dbraw/zinc/29/77/57/402297757.db2.gz GQLRAINHEDWAIS-LBPRGKRZSA-N 0 3 305.447 2.016 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185811054 402378812 /nfs/dbraw/zinc/37/88/12/402378812.db2.gz PGFBAQPTOSZBEZ-IPYPFGDCSA-N 0 3 321.446 2.328 20 30 DEEDHN CC[C@H](CNCc1cc(C#N)n(C)c1)NC(=O)OC(C)(C)C ZINC000227716462 402334020 /nfs/dbraw/zinc/33/40/20/402334020.db2.gz QDLSBJNWLAJPGM-CYBMUJFWSA-N 0 3 306.410 2.290 20 30 DEEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc(C#N)c[nH]1 ZINC000177755253 402432900 /nfs/dbraw/zinc/43/29/00/402432900.db2.gz LYVIPURDEFOGHT-UHFFFAOYSA-N 0 3 302.422 2.470 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000186513215 402438038 /nfs/dbraw/zinc/43/80/38/402438038.db2.gz IRGYZTXSGCGHJB-MRXNPFEDSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccncc2Br)CC1 ZINC000178232999 402474569 /nfs/dbraw/zinc/47/45/69/402474569.db2.gz ZOOSEYZLGGINJX-UHFFFAOYSA-N 0 3 324.222 2.224 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@](CC)(CO)C2)CC1 ZINC000187037732 402479751 /nfs/dbraw/zinc/47/97/51/402479751.db2.gz PFUBWXDLFSZPOV-SFHVURJKSA-N 0 3 323.481 2.221 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C#N)cn1 ZINC000245899259 402495584 /nfs/dbraw/zinc/49/55/84/402495584.db2.gz FOZOVHLWIKXJJZ-MJBXVCDLSA-N 0 3 300.406 2.049 20 30 DEEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCCN1CCOC ZINC000170808848 402527710 /nfs/dbraw/zinc/52/77/10/402527710.db2.gz VXGHPKPJEWEFHX-OAHLLOKOSA-N 0 3 318.417 2.092 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccnc2OCC)CC1 ZINC000171680104 402608776 /nfs/dbraw/zinc/60/87/76/402608776.db2.gz NKAXUTKTAVWGRT-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2cccc(OC)c2)CC1 ZINC000171721716 402614803 /nfs/dbraw/zinc/61/48/03/402614803.db2.gz SCVKBCLYSLQPKX-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN CC(C)OCCOC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000249435862 402629658 /nfs/dbraw/zinc/62/96/58/402629658.db2.gz IMYVYUYTWPTRDA-CRAIPNDOSA-N 0 3 320.433 2.354 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(C#N)cc2)C1 ZINC000182320380 402680720 /nfs/dbraw/zinc/68/07/20/402680720.db2.gz BDEBEWXRESWHQF-IAGOWNOFSA-N 0 3 312.417 2.184 20 30 DEEDHN C=CCCS(=O)(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000183023869 402733696 /nfs/dbraw/zinc/73/36/96/402733696.db2.gz XDMXZOBSYVZDDM-KBPBESRZSA-N 0 3 300.468 2.135 20 30 DEEDHN CCc1ccc([C@@H](CNC(=O)c2cc(C#N)c[nH]2)N(C)C)cc1 ZINC000175096650 402778503 /nfs/dbraw/zinc/77/85/03/402778503.db2.gz CXVYSOPSPULDFB-QGZVFWFLSA-N 0 3 310.401 2.481 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000263696497 402792044 /nfs/dbraw/zinc/79/20/44/402792044.db2.gz KROBMKCPVJTJCH-CABCVRRESA-N 0 3 315.417 2.185 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(CCCC)nc2C)CC1 ZINC000184429726 402843715 /nfs/dbraw/zinc/84/37/15/402843715.db2.gz YZHXYVRNMLFHHO-UHFFFAOYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN(CC=C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000175717890 402826001 /nfs/dbraw/zinc/82/60/01/402826001.db2.gz CAQZJHAKTVVTOA-KRWDZBQOSA-N 0 3 301.434 2.080 20 30 DEEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)OC)CC1 ZINC000184275291 402831978 /nfs/dbraw/zinc/83/19/78/402831978.db2.gz KKEVAEIGBCFCQI-UHFFFAOYSA-N 0 3 303.406 2.410 20 30 DEEDHN CC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)N1CCOCC1 ZINC000278356642 402863490 /nfs/dbraw/zinc/86/34/90/402863490.db2.gz BDBMVLJOMXLKKS-IRXDYDNUSA-N 0 3 315.417 2.236 20 30 DEEDHN COC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)[C@H]1CCCO1 ZINC000278797137 402872715 /nfs/dbraw/zinc/87/27/15/402872715.db2.gz MQHKNOOWOVSWRF-XOKHGSTOSA-N 0 3 304.390 2.434 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000264423571 402876980 /nfs/dbraw/zinc/87/69/80/402876980.db2.gz OTGTYQWJGPPAPW-CQSZACIVSA-N 0 3 303.431 2.203 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000264433907 402878100 /nfs/dbraw/zinc/87/81/00/402878100.db2.gz VBESYPXAFWROPB-CQSZACIVSA-N 0 3 317.433 2.273 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cc(C#N)ccc1F ZINC000278878610 402881156 /nfs/dbraw/zinc/88/11/56/402881156.db2.gz OZQULLAUEHGPJE-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN N#C[C@@H]1CSCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000271698080 402882946 /nfs/dbraw/zinc/88/29/46/402882946.db2.gz GRRVPVRNEDXBMY-MRXNPFEDSA-N 0 3 315.442 2.364 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000271896351 402885322 /nfs/dbraw/zinc/88/53/22/402885322.db2.gz NZBSUNADCULDEV-CABCVRRESA-N 0 3 302.422 2.308 20 30 DEEDHN CN(CCOc1ccccc1C#N)C[C@H](O)Cc1ccccc1 ZINC000264521889 402886280 /nfs/dbraw/zinc/88/62/80/402886280.db2.gz VPPVIBGKNXXDRT-GOSISDBHSA-N 0 3 310.397 2.472 20 30 DEEDHN CC[C@@]1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279842751 402963833 /nfs/dbraw/zinc/96/38/33/402963833.db2.gz AHIBHPZGTNIREE-WMZOPIPTSA-N 0 3 311.385 2.268 20 30 DEEDHN COCC[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272234755 402912870 /nfs/dbraw/zinc/91/28/70/402912870.db2.gz RXJYMWQCRWRLFP-XJKSGUPXSA-N 0 3 301.390 2.068 20 30 DEEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)(C)O ZINC000279333453 402931987 /nfs/dbraw/zinc/93/19/87/402931987.db2.gz DDPSWVWILFCPJO-UHFFFAOYSA-N 0 3 313.405 2.061 20 30 DEEDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)Nc1cccc(C#N)c1 ZINC000279338292 402932403 /nfs/dbraw/zinc/93/24/03/402932403.db2.gz UNVHFZPSEVYQNB-BJJXKVORSA-N 0 3 301.390 2.026 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000279351494 402933595 /nfs/dbraw/zinc/93/35/95/402933595.db2.gz FHWDSHPYGJIFGI-QFBILLFUSA-N 0 3 316.445 2.437 20 30 DEEDHN Cc1nn(C)cc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280321832 402988070 /nfs/dbraw/zinc/98/80/70/402988070.db2.gz GUJYPDKVYWPJGQ-MLGOLLRUSA-N 0 3 321.384 2.160 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ncc(C(C)(C)C)o2)CC1 ZINC000266974498 403004530 /nfs/dbraw/zinc/00/45/30/403004530.db2.gz PXQNTKDAKXJUOZ-UHFFFAOYSA-N 0 3 320.437 2.422 20 30 DEEDHN C=CCOc1ccc(/C=C/C(=O)N(C)CCN(C)C)cc1OC ZINC000266987124 403005955 /nfs/dbraw/zinc/00/59/55/403005955.db2.gz SQUWQUMOINIALY-CSKARUKUSA-N 0 3 318.417 2.293 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Br)cnn1C ZINC000280568384 403013877 /nfs/dbraw/zinc/01/38/77/403013877.db2.gz GLBGFWQIIUUZIS-ZWNOBZJWSA-N 0 3 314.227 2.253 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000280666981 403025285 /nfs/dbraw/zinc/02/52/85/403025285.db2.gz PNVQVMVBVXFYRL-STQMWFEESA-N 0 3 319.405 2.079 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nnc(C)s2)CC1 ZINC000273702958 403026793 /nfs/dbraw/zinc/02/67/93/403026793.db2.gz OZRQCTHXPIAWQK-NSHDSACASA-N 0 3 323.466 2.247 20 30 DEEDHN N#CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000273096355 402970927 /nfs/dbraw/zinc/97/09/27/402970927.db2.gz DKFLVHCTZQAAIR-MRXNPFEDSA-N 0 3 300.406 2.254 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280304267 402985785 /nfs/dbraw/zinc/98/57/85/402985785.db2.gz NALCBNRVVCULRV-ROUUACIJSA-N 0 3 324.428 2.230 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cc(C#N)oc2C)C[C@@H]1N1CCCC1 ZINC000280780388 403036136 /nfs/dbraw/zinc/03/61/36/403036136.db2.gz BCRZMEYIURZQHQ-LSDHHAIUSA-N 0 3 319.430 2.112 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000281790201 403091876 /nfs/dbraw/zinc/09/18/76/403091876.db2.gz ULJDQGMJVLQLBZ-UXHICEINSA-N 0 3 322.408 2.405 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268533777 403092357 /nfs/dbraw/zinc/09/23/57/403092357.db2.gz XWWJVNRDWSXORI-NEPJUHHUSA-N 0 3 303.366 2.394 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@](C)(C(=O)NC)C2)cc1OC ZINC000281150537 403059876 /nfs/dbraw/zinc/05/98/76/403059876.db2.gz PBEPAEBTZYWZOG-SFHVURJKSA-N 0 3 318.417 2.218 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(C)nc2C2CC2)CC1 ZINC000281424232 403067994 /nfs/dbraw/zinc/06/79/94/403067994.db2.gz ZABNYZZAMKRJPN-UHFFFAOYSA-N 0 3 314.433 2.433 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000281457732 403068780 /nfs/dbraw/zinc/06/87/80/403068780.db2.gz OXIZZLCFNMQYHQ-IAGOWNOFSA-N 0 3 302.418 2.459 20 30 DEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274588006 403069705 /nfs/dbraw/zinc/06/97/05/403069705.db2.gz DTOIYRHBYKFWSH-GZBFAFLISA-N 0 3 321.446 2.280 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)NC1(CN(C)C)CCC1 ZINC000281548300 403071240 /nfs/dbraw/zinc/07/12/40/403071240.db2.gz ZXUKBCFYOIZTEA-UHFFFAOYSA-N 0 3 319.380 2.444 20 30 DEEDHN C#CCN(CC#N)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000281560013 403071283 /nfs/dbraw/zinc/07/12/83/403071283.db2.gz QAOHTQJDZYSLRD-UHFFFAOYSA-N 0 3 309.413 2.274 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001422791281 1172865103 /nfs/dbraw/zinc/86/51/03/1172865103.db2.gz SHBAQCIVKOIIJV-CHWSQXEVSA-N 0 3 305.447 2.246 20 30 DEEDHN C=CCN1CC[C@H](N(CCCO)[C@@H]2CCc3ccccc32)C1=O ZINC000282120876 403124519 /nfs/dbraw/zinc/12/45/19/403124519.db2.gz XVBSRQNBRHQASS-MSOLQXFVSA-N 0 3 314.429 2.145 20 30 DEEDHN O=C1CC[C@H](NCC#Cc2ccc(Cl)cc2)C2(CCC2)N1 ZINC000282663920 403157894 /nfs/dbraw/zinc/15/78/94/403157894.db2.gz BUBWXVAWPANVJZ-HNNXBMFYSA-N 0 3 302.805 2.482 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc(CN(C)C)c2)CC1 ZINC000270375626 403185272 /nfs/dbraw/zinc/18/52/72/403185272.db2.gz LHGFABLWGTVYTE-UHFFFAOYSA-N 0 3 313.445 2.340 20 30 DEEDHN C=CCN(C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284192934 403252712 /nfs/dbraw/zinc/25/27/12/403252712.db2.gz LWUVYOFQQNAMAO-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C#CCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000271025537 403254963 /nfs/dbraw/zinc/25/49/63/403254963.db2.gz VVCHZAPDHVNIQO-ZIAGYGMSSA-N 0 3 301.308 2.490 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284957851 403274230 /nfs/dbraw/zinc/27/42/30/403274230.db2.gz ZRVBJJCQUAFXBW-HIFRSBDPSA-N 0 3 311.447 2.458 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCOC[C@@H](C2CCC2)C1 ZINC000292133451 403302134 /nfs/dbraw/zinc/30/21/34/403302134.db2.gz LOMUNOFSPKWJFD-RDJZCZTQSA-N 0 3 306.450 2.324 20 30 DEEDHN C[C@@H](c1ccncc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000271217747 403280703 /nfs/dbraw/zinc/28/07/03/403280703.db2.gz BSPIXNTUMHLTFC-YOEHRIQHSA-N 0 3 311.385 2.386 20 30 DEEDHN CSC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000331167344 403344217 /nfs/dbraw/zinc/34/42/17/403344217.db2.gz HBSZEFSMJHQWKP-VXGBXAGGSA-N 0 3 315.483 2.279 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)nc1 ZINC000292332503 403356537 /nfs/dbraw/zinc/35/65/37/403356537.db2.gz WMGYYKUSSKQEML-IAGOWNOFSA-N 0 3 309.369 2.140 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1N(C)C ZINC000330696192 403306153 /nfs/dbraw/zinc/30/61/53/403306153.db2.gz DONGODJRNXWJIK-UONOGXRCSA-N 0 3 322.409 2.207 20 30 DEEDHN CCNC(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285484535 403307535 /nfs/dbraw/zinc/30/75/35/403307535.db2.gz LWANZQHFZPEGGK-UHFFFAOYSA-N 0 3 319.380 2.067 20 30 DEEDHN COc1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1C#N ZINC000285502667 403312160 /nfs/dbraw/zinc/31/21/60/403312160.db2.gz NHVTWGBPNIPXDW-UHFFFAOYSA-N 0 3 322.430 2.014 20 30 DEEDHN CCC[C@]1(NCC(=O)N(CCC#N)c2ccccc2)CCOC1 ZINC000285544453 403322965 /nfs/dbraw/zinc/32/29/65/403322965.db2.gz LVOOBNYJVMJBDJ-SFHVURJKSA-N 0 3 315.417 2.482 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000285620043 403341217 /nfs/dbraw/zinc/34/12/17/403341217.db2.gz NFGMKFQZKBBEJG-GOSISDBHSA-N 0 3 317.433 2.226 20 30 DEEDHN C=CCN1CCC(NC(=O)C(C)(C)COCC(F)F)CC1 ZINC000345553764 403378474 /nfs/dbraw/zinc/37/84/74/403378474.db2.gz XCBOCNKPBGDYMN-UHFFFAOYSA-N 0 3 304.381 2.061 20 30 DEEDHN CCn1cc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)cn1 ZINC000298478067 403391542 /nfs/dbraw/zinc/39/15/42/403391542.db2.gz SSIBNYRVKUKINT-CYBMUJFWSA-N 0 3 311.389 2.454 20 30 DEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)N1C ZINC000339617422 403393424 /nfs/dbraw/zinc/39/34/24/403393424.db2.gz NSZLSYYVVATDJS-HUUCEWRRSA-N 0 3 323.444 2.483 20 30 DEEDHN N#Cc1cccc(OCCN2CCC3(CC2)OCCCO3)c1 ZINC000293136392 403397724 /nfs/dbraw/zinc/39/77/24/403397724.db2.gz TXSSNLCOHINEGJ-UHFFFAOYSA-N 0 3 302.374 2.166 20 30 DEEDHN CCN(CCOCCC#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000293210158 403415635 /nfs/dbraw/zinc/41/56/35/403415635.db2.gz UZIJFIZOXOHGRS-UHFFFAOYSA-N 0 3 303.406 2.141 20 30 DEEDHN COc1cc(OC)c2ncc(C#N)c(NCCN(C)C)c2c1 ZINC000285962566 403419356 /nfs/dbraw/zinc/41/93/56/403419356.db2.gz ANFYEEHKJCABQD-UHFFFAOYSA-N 0 3 300.362 2.097 20 30 DEEDHN C[C@H](CNC(=O)NCc1cccc(C#N)c1)N1CCC[C@H](C)C1 ZINC000298616995 403425755 /nfs/dbraw/zinc/42/57/55/403425755.db2.gz QQRRSJPXLYSDPI-LSDHHAIUSA-N 0 3 314.433 2.478 20 30 DEEDHN C=CCc1cc(C(=O)NC[C@H](C)N(C)C)cc(OC)c1OC ZINC000298367471 403367930 /nfs/dbraw/zinc/36/79/30/403367930.db2.gz SXINEODWGLSJRZ-LBPRGKRZSA-N 0 3 306.406 2.112 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000298727235 403449275 /nfs/dbraw/zinc/44/92/75/403449275.db2.gz SIGLKPSSQYDVCD-LESCRADOSA-N 0 3 312.413 2.168 20 30 DEEDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCC[C@H](C)C1 ZINC000298735529 403451233 /nfs/dbraw/zinc/45/12/33/403451233.db2.gz QRBOQQYTLNYGNI-NWDGAFQWSA-N 0 3 303.366 2.394 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000343173300 403486865 /nfs/dbraw/zinc/48/68/65/403486865.db2.gz JKFJLNBSMLFOTF-HRCADAONSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2c(F)cccc2F)CC1 ZINC000299171069 403540222 /nfs/dbraw/zinc/54/02/22/403540222.db2.gz XHWDSWLSZLVSPF-LBPRGKRZSA-N 0 3 306.356 2.487 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)CC1 ZINC000299173797 403540779 /nfs/dbraw/zinc/54/07/79/403540779.db2.gz ZOBWLJMLTNREAC-UHFFFAOYSA-N 0 3 323.400 2.064 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000345825650 403499875 /nfs/dbraw/zinc/49/98/75/403499875.db2.gz YPBGQBBVQNKBAX-LSDHHAIUSA-N 0 3 318.417 2.264 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000346307846 403584167 /nfs/dbraw/zinc/58/41/67/403584167.db2.gz DWROIWDXLJZKSQ-GOSISDBHSA-N 0 3 300.402 2.419 20 30 DEEDHN CCOC(=O)CCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000346333734 403585579 /nfs/dbraw/zinc/58/55/79/403585579.db2.gz JJSIVDZBWQXWBL-OAHLLOKOSA-N 0 3 302.374 2.171 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000293869829 403586239 /nfs/dbraw/zinc/58/62/39/403586239.db2.gz BSCLLWMVLFDOPO-UHFFFAOYSA-N 0 3 313.426 2.495 20 30 DEEDHN CCc1noc(C)c1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000293769281 403559277 /nfs/dbraw/zinc/55/92/77/403559277.db2.gz ABIQYXQDRDUMBQ-HNNXBMFYSA-N 0 3 322.368 2.416 20 30 DEEDHN C=CCN(C[C@H](O)COc1ccc(CCOC)cc1)C1CC1 ZINC000293768302 403559444 /nfs/dbraw/zinc/55/94/44/403559444.db2.gz KPXLYNJAJMXRQT-KRWDZBQOSA-N 0 3 305.418 2.266 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1oc2ccccc2c1COC ZINC000293973232 403613339 /nfs/dbraw/zinc/61/33/39/403613339.db2.gz MEYDWHUZSHTBAF-UHFFFAOYSA-N 0 3 314.385 2.264 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000293962784 403611275 /nfs/dbraw/zinc/61/12/75/403611275.db2.gz LDNUYPAKAFAKLM-CHWSQXEVSA-N 0 3 324.346 2.279 20 30 DEEDHN CC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(OC)cc1 ZINC000347021047 403611818 /nfs/dbraw/zinc/61/18/18/403611818.db2.gz ZWGHZXGJWRQSKK-HNNXBMFYSA-N 0 3 301.390 2.298 20 30 DEEDHN CC(C#N)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000347055364 403612700 /nfs/dbraw/zinc/61/27/00/403612700.db2.gz VEJDVOHJSMYBJH-SNVBAGLBSA-N 0 3 311.179 2.446 20 30 DEEDHN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1 ZINC000343695892 403696699 /nfs/dbraw/zinc/69/66/99/403696699.db2.gz SIDBRHTYKWNLKU-ZDUSSCGKSA-N 0 3 321.446 2.285 20 30 DEEDHN N#Cc1ccc(NCC2(N3CCSCC3)CCCC2)nn1 ZINC000301929957 403703206 /nfs/dbraw/zinc/70/32/06/403703206.db2.gz OCHVDPNLRONYDE-UHFFFAOYSA-N 0 3 303.435 2.122 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCN1CCC ZINC000343583314 403650565 /nfs/dbraw/zinc/65/05/65/403650565.db2.gz YQFBAVBDQVXWKI-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN CC(C)CN(CCN1C(=O)CCC1=O)Cc1ccc(C#N)cc1 ZINC000340684985 403651202 /nfs/dbraw/zinc/65/12/02/403651202.db2.gz QWNPNCDCEXOMHA-UHFFFAOYSA-N 0 3 313.401 2.165 20 30 DEEDHN COc1cc(CNC[C@@H](O)Cc2cccc(F)c2)ccc1C#N ZINC000295127582 403768170 /nfs/dbraw/zinc/76/81/70/403768170.db2.gz OBJZBECQPGZVJZ-KRWDZBQOSA-N 0 3 314.360 2.399 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N(CC)CC(CC)CC)CC1 ZINC000343733762 403711549 /nfs/dbraw/zinc/71/15/49/403711549.db2.gz BKCXRAZJQLSGRD-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@H]1Oc2cc([C@@H](C)NCCOCCC#N)ccc2NC1=O ZINC000294753136 403728076 /nfs/dbraw/zinc/72/80/76/403728076.db2.gz XUMQZAVHIRBTQM-IUODEOHRSA-N 0 3 317.389 2.377 20 30 DEEDHN C=C(CNC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000288227227 403741561 /nfs/dbraw/zinc/74/15/61/403741561.db2.gz PQZQPDPXYBYHOK-GOSISDBHSA-N 0 3 314.429 2.459 20 30 DEEDHN Cc1ccc(C#N)c(NCc2ccncc2OCCN(C)C)n1 ZINC000341055354 403754219 /nfs/dbraw/zinc/75/42/19/403754219.db2.gz SFKVEROVSMLZRL-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC#N)C1 ZINC000343851883 403759653 /nfs/dbraw/zinc/75/96/53/403759653.db2.gz WLQKFQJTLOCRPN-ZBFHGGJFSA-N 0 3 300.406 2.425 20 30 DEEDHN COCCCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354466114 403816242 /nfs/dbraw/zinc/81/62/42/403816242.db2.gz MJSJNCKZHFMTAG-OAHLLOKOSA-N 0 3 311.341 2.382 20 30 DEEDHN CC(C)NC(=O)Nc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354474614 403824559 /nfs/dbraw/zinc/82/45/59/403824559.db2.gz YJYFRJYXDKRPCX-CQSZACIVSA-N 0 3 323.356 2.497 20 30 DEEDHN CC(C)NC(=O)Nc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354474613 403824900 /nfs/dbraw/zinc/82/49/00/403824900.db2.gz YJYFRJYXDKRPCX-AWEZNQCLSA-N 0 3 323.356 2.497 20 30 DEEDHN C[C@@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCC(C)CC1 ZINC000351644677 403827085 /nfs/dbraw/zinc/82/70/85/403827085.db2.gz RSAORBPQRSUIIG-AWEZNQCLSA-N 0 3 317.408 2.476 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCCc2cccc(C#N)c2)C1 ZINC000347619152 403777858 /nfs/dbraw/zinc/77/78/58/403777858.db2.gz AESYXADMRBGTKE-OAHLLOKOSA-N 0 3 314.433 2.132 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000295389394 403897347 /nfs/dbraw/zinc/89/73/47/403897347.db2.gz HLUDNJOIDOIAIG-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001168416651 782007944 /nfs/dbraw/zinc/00/79/44/782007944.db2.gz ABMOEEGIZLBNOV-LBPRGKRZSA-N 0 3 308.809 2.472 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(C)CCC#N)C1(CC)CC ZINC000178667360 286394096 /nfs/dbraw/zinc/39/40/96/286394096.db2.gz XFOFBMMCDMNYTF-SOUVJXGZSA-N 0 3 309.454 2.320 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CCO)C2CCCCC2)CC1 ZINC000305161905 403856295 /nfs/dbraw/zinc/85/62/95/403856295.db2.gz ROXPBNGCFVTSLX-KRWDZBQOSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)cc2F)CC1 ZINC000344056914 403880650 /nfs/dbraw/zinc/88/06/50/403880650.db2.gz NINNCCFBRBVBPZ-UHFFFAOYSA-N 0 3 321.396 2.284 20 30 DEEDHN C=C(C)CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411578985 403902975 /nfs/dbraw/zinc/90/29/75/403902975.db2.gz TWHPBGMDLKUMBK-UHFFFAOYSA-N 0 3 303.406 2.078 20 30 DEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1 ZINC000361960450 403914146 /nfs/dbraw/zinc/91/41/46/403914146.db2.gz AWMPOCMJKKUACL-GFCCVEGCSA-N 0 3 306.325 2.467 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cnn(C)c1C(F)(F)F ZINC000411644698 403923187 /nfs/dbraw/zinc/92/31/87/403923187.db2.gz RKLDMNZRVCVADF-UHFFFAOYSA-N 0 3 304.360 2.379 20 30 DEEDHN CC(C)CN(CCN1CCNC1=O)Cc1ccc(C#N)cc1 ZINC000344124412 403925182 /nfs/dbraw/zinc/92/51/82/403925182.db2.gz WPFZWMHZNSXDOI-UHFFFAOYSA-N 0 3 300.406 2.041 20 30 DEEDHN CN(C)C[C@@H](NC(=O)c1ccc(C#N)o1)c1ccc(F)cc1 ZINC000354657286 403932095 /nfs/dbraw/zinc/93/20/95/403932095.db2.gz WEYLRMFPORMVAE-CQSZACIVSA-N 0 3 301.321 2.323 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351816425 403938075 /nfs/dbraw/zinc/93/80/75/403938075.db2.gz RCVKEBPIZXSBEV-DAYGRLMNSA-N 0 3 321.465 2.274 20 30 DEEDHN COCCN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC=CCC1 ZINC000362250002 403940008 /nfs/dbraw/zinc/94/00/08/403940008.db2.gz NOOMCRHMIKYPPG-QAPCUYQASA-N 0 3 319.449 2.100 20 30 DEEDHN C=CCSc1ccccc1C(=O)NCC1(O)CCN(C)CC1 ZINC000362798846 403989636 /nfs/dbraw/zinc/98/96/36/403989636.db2.gz SRYCNWYAVPNVGV-UHFFFAOYSA-N 0 3 320.458 2.151 20 30 DEEDHN C#Cc1ccc(CN[C@H]2CCCN(c3ccnn3CC)C2=O)cc1 ZINC000289754584 403996940 /nfs/dbraw/zinc/99/69/40/403996940.db2.gz QCIQPAMHKBGXLT-KRWDZBQOSA-N 0 3 322.412 2.170 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccccc2)cc1 ZINC000348007702 404004675 /nfs/dbraw/zinc/00/46/75/404004675.db2.gz WVHFXCHUPMXLGN-KRWDZBQOSA-N 0 3 319.364 2.436 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1F ZINC000411966517 404035193 /nfs/dbraw/zinc/03/51/93/404035193.db2.gz LSSLYXYRYSJULZ-IBGZPJMESA-N 0 3 323.371 2.326 20 30 DEEDHN CC1(C)CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290072597 404029235 /nfs/dbraw/zinc/02/92/35/404029235.db2.gz WBUGRMACKBJPCA-AWEZNQCLSA-N 0 3 321.446 2.285 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2cc(C#N)ncn2)C1 ZINC000323877415 404097194 /nfs/dbraw/zinc/09/71/94/404097194.db2.gz FSTSNWCFUUIIFY-OAHLLOKOSA-N 0 3 307.401 2.307 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000319405176 404055607 /nfs/dbraw/zinc/05/56/07/404055607.db2.gz MTLNBPAMFCJVSN-YQQAZPJKSA-N 0 3 309.454 2.056 20 30 DEEDHN CCc1ccnc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000328610511 404113846 /nfs/dbraw/zinc/11/38/46/404113846.db2.gz NSWVFLOMVRPMGH-CYBMUJFWSA-N 0 3 302.422 2.298 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCN1C ZINC000352086375 404135154 /nfs/dbraw/zinc/13/51/54/404135154.db2.gz PCFFUHLPJDBKPO-MSOLQXFVSA-N 0 3 324.428 2.039 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1C ZINC000328728643 404138469 /nfs/dbraw/zinc/13/84/69/404138469.db2.gz DYKMXZBMXCVECG-UPJWGTAASA-N 0 3 308.426 2.014 20 30 DEEDHN Cc1nccn1C[C@H]1CCCN1C([O-])=[NH+]CC1(C)CCOCC1 ZINC000329052374 404212937 /nfs/dbraw/zinc/21/29/37/404212937.db2.gz RRWCANNTJRPPOY-OAHLLOKOSA-N 0 3 320.437 2.387 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000328969122 404185623 /nfs/dbraw/zinc/18/56/23/404185623.db2.gz AOMFQQYAEVRZCS-KGLIPLIRSA-N 0 3 309.454 2.464 20 30 DEEDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000349780726 404196303 /nfs/dbraw/zinc/19/63/03/404196303.db2.gz DBWKUNQNJADQJX-CQSZACIVSA-N 0 3 315.483 2.109 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNCc1nccnc1OC)C(C)C ZINC000296409901 404237141 /nfs/dbraw/zinc/23/71/41/404237141.db2.gz LYHAUXIWCHCARH-INIZCTEOSA-N 0 3 304.438 2.273 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000352236900 404237581 /nfs/dbraw/zinc/23/75/81/404237581.db2.gz GCPZKPUARDSTTN-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN N#Cc1ccc(OCCNCc2cnn(CC(F)(F)F)c2)cc1 ZINC000344600399 404251930 /nfs/dbraw/zinc/25/19/30/404251930.db2.gz GUPAXIXDIODNFT-UHFFFAOYSA-N 0 3 324.306 2.486 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000329223554 404271594 /nfs/dbraw/zinc/27/15/94/404271594.db2.gz YGIAFJGOJXRKKJ-GJZGRUSLSA-N 0 3 309.454 2.464 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000352316341 404284799 /nfs/dbraw/zinc/28/47/99/404284799.db2.gz SXIWXUKLTXEPAE-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN N#CC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccncn1 ZINC000352326032 404290937 /nfs/dbraw/zinc/29/09/37/404290937.db2.gz ABNZIIKFCNDNHY-VIFPVBQESA-N 0 3 317.692 2.284 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)Cc1cccs1 ZINC000296525208 404291004 /nfs/dbraw/zinc/29/10/04/404291004.db2.gz PICGMOYFDSADFR-CQSZACIVSA-N 0 3 307.463 2.181 20 30 DEEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000296816612 404328289 /nfs/dbraw/zinc/32/82/89/404328289.db2.gz VJJFNCDTSFXUDO-LBPRGKRZSA-N 0 3 304.350 2.008 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C3CC3)C1)C2 ZINC000329443717 404339022 /nfs/dbraw/zinc/33/90/22/404339022.db2.gz BYWIKTQNZUELHY-KWCYVHTRSA-N 0 3 302.422 2.336 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)s1 ZINC000329443937 404339136 /nfs/dbraw/zinc/33/91/36/404339136.db2.gz AZYTXKWTRJJECG-JFGNBEQYSA-N 0 3 311.455 2.094 20 30 DEEDHN N#CCCn1cc(CNC[C@@H](O)C(F)F)c(-c2ccccc2)n1 ZINC000344750659 404348360 /nfs/dbraw/zinc/34/83/60/404348360.db2.gz COXWSARSLCGOMF-CQSZACIVSA-N 0 3 320.343 2.179 20 30 DEEDHN C[C@H](NC(=O)CNC(=O)NC1CCCCC1)C1=CCN(C)CC1 ZINC000329306437 404296650 /nfs/dbraw/zinc/29/66/50/404296650.db2.gz PGEJYHIVVXIVEZ-ZDUSSCGKSA-N 0 3 322.453 2.430 20 30 DEEDHN C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1=CCN(C)CC1 ZINC000329322717 404301763 /nfs/dbraw/zinc/30/17/63/404301763.db2.gz JPRCMHGETDBAON-BBRMVZONSA-N 0 3 319.449 2.242 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C(F)F)CC1 ZINC000344772463 404360524 /nfs/dbraw/zinc/36/05/24/404360524.db2.gz KYDSIICYAIDTTG-ZDUSSCGKSA-N 0 3 301.381 2.466 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)NCCN1CCC[C@@H](C)C1)C2 ZINC000329540606 404369906 /nfs/dbraw/zinc/36/99/06/404369906.db2.gz WSJABUBTCBGQRJ-HIFRSBDPSA-N 0 3 304.438 2.442 20 30 DEEDHN CN(c1ncc(Br)cc1C#N)[C@@H]1CCCN(C)C1 ZINC000296947060 404384928 /nfs/dbraw/zinc/38/49/28/404384928.db2.gz BXABMUIJJLFZDF-GFCCVEGCSA-N 0 3 309.211 2.246 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342147083 404400041 /nfs/dbraw/zinc/40/00/41/404400041.db2.gz DGUPCNJDZBEVBX-MAUKXSAKSA-N 0 3 322.449 2.076 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CCCCC2)CC1 ZINC000338721722 404498975 /nfs/dbraw/zinc/49/89/75/404498975.db2.gz ASGVEEAQKDMZOK-AWEZNQCLSA-N 0 3 307.438 2.433 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)c3ncc(C#N)cc3Cl)C2)C1 ZINC000356311129 404440299 /nfs/dbraw/zinc/44/02/99/404440299.db2.gz JFVBGNRZLRLZBR-INIZCTEOSA-N 0 3 318.808 2.165 20 30 DEEDHN C=C(C)CN1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342245329 404465045 /nfs/dbraw/zinc/46/50/45/404465045.db2.gz RGWDKEPSZVNVJF-UHFFFAOYSA-N 0 3 318.377 2.146 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330203511 404584688 /nfs/dbraw/zinc/58/46/88/404584688.db2.gz CASDTQIODORJTB-LSDHHAIUSA-N 0 3 309.454 2.466 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000330218556 404589640 /nfs/dbraw/zinc/58/96/40/404589640.db2.gz OULYMKIWVASKBB-OAHLLOKOSA-N 0 3 307.438 2.242 20 30 DEEDHN C=CCCCS(=O)(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000291845845 404549149 /nfs/dbraw/zinc/54/91/49/404549149.db2.gz HZPSTRJVEBDSDL-UHFFFAOYSA-N 0 3 312.435 2.335 20 30 DEEDHN COCCN1CCC(NC(=O)Cc2csc3nccn23)CC1 ZINC000330146617 404565696 /nfs/dbraw/zinc/56/56/96/404565696.db2.gz LLKZPXOKKYTAAR-UHFFFAOYSA-N 0 3 322.434 2.006 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(CCC)CCOC2)CC1 ZINC000352827031 404650603 /nfs/dbraw/zinc/65/06/03/404650603.db2.gz LWLTYIUJVCGONY-QGZVFWFLSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@H](C(=O)N(C)C)C2)cc1OC ZINC000414503466 404660077 /nfs/dbraw/zinc/66/00/77/404660077.db2.gz WJHRWLJASPKYSP-OAHLLOKOSA-N 0 3 318.417 2.170 20 30 DEEDHN CON(C)C(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000291969446 404604807 /nfs/dbraw/zinc/60/48/07/404604807.db2.gz VNHNWLAFZLEAOC-CYBMUJFWSA-N 0 3 301.390 2.351 20 30 DEEDHN C#CCO[C@@H](C)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000297734099 404606495 /nfs/dbraw/zinc/60/64/95/404606495.db2.gz NRGBNNBUHHLLQE-ZDUSSCGKSA-N 0 3 315.373 2.388 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000330320489 404625756 /nfs/dbraw/zinc/62/57/56/404625756.db2.gz FDXXJPNEKNXXIK-OWCLPIDISA-N 0 3 320.437 2.327 20 30 DEEDHN CN1CCC(NC(=O)NC2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000330325486 404627738 /nfs/dbraw/zinc/62/77/38/404627738.db2.gz JHKLAQIEUNFEGB-UHFFFAOYSA-N 0 3 317.389 2.002 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000330350628 404634150 /nfs/dbraw/zinc/63/41/50/404634150.db2.gz LHXPAKXWDXCAER-QWHCGFSZSA-N 0 3 306.410 2.093 20 30 DEEDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)C#N ZINC000345320085 404673307 /nfs/dbraw/zinc/67/33/07/404673307.db2.gz NUQWGUGHXRTFQM-ZBFHGGJFSA-N 0 3 300.406 2.054 20 30 DEEDHN C=CCOc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1OC ZINC000414559427 404680524 /nfs/dbraw/zinc/68/05/24/404680524.db2.gz PTCMOVWPPHFGED-CVEARBPZSA-N 0 3 321.417 2.137 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000330551198 404685946 /nfs/dbraw/zinc/68/59/46/404685946.db2.gz DYKLYFCNBTZYJD-LSDHHAIUSA-N 0 3 314.433 2.301 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)c2ccc(CC#N)cc2)ccn1 ZINC000345314803 404671124 /nfs/dbraw/zinc/67/11/24/404671124.db2.gz ZJGFVRSBKPZRPA-UHFFFAOYSA-N 0 3 324.384 2.340 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357288701 404732048 /nfs/dbraw/zinc/73/20/48/404732048.db2.gz SZHHHEJYARNNNL-VYDXJSESSA-N 0 3 319.449 2.162 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000357585138 404738944 /nfs/dbraw/zinc/73/89/44/404738944.db2.gz VXIRJVVJNLEELI-UHFFFAOYSA-N 0 3 324.428 2.312 20 30 DEEDHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(C)C#N)C1 ZINC000357788020 404743486 /nfs/dbraw/zinc/74/34/86/404743486.db2.gz HZXCEYXUMMJXBQ-PWSUYJOCSA-N 0 3 307.781 2.203 20 30 DEEDHN C=CCCC1(C(=O)N2CCN(c3ccncc3OC)CC2)CC1 ZINC000358309334 404759670 /nfs/dbraw/zinc/75/96/70/404759670.db2.gz KWYRZUKWQFDMSX-UHFFFAOYSA-N 0 3 315.417 2.485 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C[C@H]2CCOC2)C2CC2)CC1 ZINC000358383592 404760507 /nfs/dbraw/zinc/76/05/07/404760507.db2.gz PJPJDWLBYRPAOK-OAHLLOKOSA-N 0 3 321.465 2.237 20 30 DEEDHN CN1C[C@H](NC(=O)c2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000375887119 404765822 /nfs/dbraw/zinc/76/58/22/404765822.db2.gz BEAOANKGWHWUJB-MSOLQXFVSA-N 0 3 305.381 2.386 20 30 DEEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414692537 404709758 /nfs/dbraw/zinc/70/97/58/404709758.db2.gz QKNJTJIOIJLOPH-OAHLLOKOSA-N 0 3 319.424 2.011 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](COC(F)F)C2)cc1 ZINC000353028352 404725412 /nfs/dbraw/zinc/72/54/12/404725412.db2.gz ZXRWUVMHLMFHJU-ZDUSSCGKSA-N 0 3 323.343 2.448 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](OC)c2ccccc2)CC1 ZINC000358796225 404775795 /nfs/dbraw/zinc/77/57/95/404775795.db2.gz PWUKHYXMNDDKLW-KRWDZBQOSA-N 0 3 317.433 2.324 20 30 DEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415312978 404844732 /nfs/dbraw/zinc/84/47/32/404844732.db2.gz HJLNBUPQOWOOBQ-BXUZGUMPSA-N 0 3 302.378 2.101 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360890487 404846246 /nfs/dbraw/zinc/84/62/46/404846246.db2.gz AJJBUECXRPNQPD-ZJUUUORDSA-N 0 3 300.284 2.225 20 30 DEEDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C#N)o2)cc1 ZINC000353506633 404851429 /nfs/dbraw/zinc/85/14/29/404851429.db2.gz YSXWDYOIKGXLQA-HNNXBMFYSA-N 0 3 313.357 2.193 20 30 DEEDHN Cc1ncoc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000353714678 404937208 /nfs/dbraw/zinc/93/72/08/404937208.db2.gz DXINBLQAWLSWQH-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C=CCOc1cccc(CN2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000353742759 404951891 /nfs/dbraw/zinc/95/18/91/404951891.db2.gz AYYQPTPKKHGSBM-GOSISDBHSA-N 0 3 300.402 2.354 20 30 DEEDHN CCOc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424091407 405002568 /nfs/dbraw/zinc/00/25/68/405002568.db2.gz DNMWORFVDVWIDB-JSGCOSHPSA-N 0 3 319.405 2.292 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000424106553 405008888 /nfs/dbraw/zinc/00/88/88/405008888.db2.gz XUZDFPYHPRMOAP-HRCADAONSA-N 0 3 319.380 2.183 20 30 DEEDHN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424109094 405008964 /nfs/dbraw/zinc/00/89/64/405008964.db2.gz ANFMNWVHSKGPBF-NSHDSACASA-N 0 3 308.769 2.258 20 30 DEEDHN C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@@H](N)CCCC#N ZINC000424114277 405011144 /nfs/dbraw/zinc/01/11/44/405011144.db2.gz QVLVVIGZJYBEQV-NEPJUHHUSA-N 0 3 316.430 2.365 20 30 DEEDHN C[C@@H](Cc1nc2ccccc2s1)NC(=O)[C@H](N)CCCC#N ZINC000424114278 405011484 /nfs/dbraw/zinc/01/14/84/405011484.db2.gz QVLVVIGZJYBEQV-NWDGAFQWSA-N 0 3 316.430 2.365 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000424141342 405020309 /nfs/dbraw/zinc/02/03/09/405020309.db2.gz CKANGVFIZLGVAG-ZDUSSCGKSA-N 0 3 304.369 2.386 20 30 DEEDHN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424143596 405021644 /nfs/dbraw/zinc/02/16/44/405021644.db2.gz WMWZYSBJOCVSSM-BMIGLBTASA-N 0 3 307.344 2.432 20 30 DEEDHN Cc1csc(C2(NC(=O)[C@H](N)CCCC#N)CCCC2)n1 ZINC000424148638 405022335 /nfs/dbraw/zinc/02/23/35/405022335.db2.gz URVCJUCESASLJO-GFCCVEGCSA-N 0 3 306.435 2.358 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCNC(C)(C)C1)C(C)C ZINC000417063874 405024706 /nfs/dbraw/zinc/02/47/06/405024706.db2.gz NXVLGHPHWRXGNB-INIZCTEOSA-N 0 3 322.497 2.078 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCNC(C)(C)C1)C(C)C ZINC000417063876 405024899 /nfs/dbraw/zinc/02/48/99/405024899.db2.gz NXVLGHPHWRXGNB-MRXNPFEDSA-N 0 3 322.497 2.078 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000424163084 405026701 /nfs/dbraw/zinc/02/67/01/405026701.db2.gz XIOZQRVNTUMKED-DLBZAZTESA-N 0 3 308.385 2.308 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2NCCc3ccccc32)CCOCC1 ZINC000424163397 405027050 /nfs/dbraw/zinc/02/70/50/405027050.db2.gz DRMNDHKTMCPICM-KRWDZBQOSA-N 0 3 314.429 2.363 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000424177606 405030648 /nfs/dbraw/zinc/03/06/48/405030648.db2.gz UTDXKBWHTXMLPB-PMPSAXMXSA-N 0 3 301.390 2.044 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451424971 404991106 /nfs/dbraw/zinc/99/11/06/404991106.db2.gz SZMAREGOOSFMNH-BRWVUGGUSA-N 0 3 313.401 2.122 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1coc(-c2cccs2)n1 ZINC000424063998 404991243 /nfs/dbraw/zinc/99/12/43/404991243.db2.gz JDHXUQZQZKXFOC-NSHDSACASA-N 0 3 304.375 2.040 20 30 DEEDHN COc1ccc2nc(NC(=O)[C@H](N)CCCC#N)sc2c1 ZINC000424078872 404998324 /nfs/dbraw/zinc/99/83/24/404998324.db2.gz QMKUNPKRJYHIIK-SNVBAGLBSA-N 0 3 304.375 2.265 20 30 DEEDHN COc1ccccc1CN(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424082716 404999578 /nfs/dbraw/zinc/99/95/78/404999578.db2.gz AJMBWLSBCORIEY-OAHLLOKOSA-N 0 3 301.390 2.207 20 30 DEEDHN CC[C@@H](C)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000451826661 405055806 /nfs/dbraw/zinc/05/58/06/405055806.db2.gz SPQZGLHUVHRKFD-MRXNPFEDSA-N 0 3 320.481 2.087 20 30 DEEDHN N#CC1(F)CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416242049 405069510 /nfs/dbraw/zinc/06/95/10/405069510.db2.gz MLWNRRBAMXANCO-UHFFFAOYSA-N 0 3 315.392 2.289 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1(N(C)C)CC1 ZINC000416301989 405093660 /nfs/dbraw/zinc/09/36/60/405093660.db2.gz MPPAVBKUMFYQQF-INIZCTEOSA-N 0 3 315.417 2.172 20 30 DEEDHN COc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)ccc1OCCN(C)C ZINC000416331954 405108137 /nfs/dbraw/zinc/10/81/37/405108137.db2.gz DVJMANZHJUQKDD-SJKOYZFVSA-N 0 3 317.389 2.124 20 30 DEEDHN CC#CCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000361530803 405118953 /nfs/dbraw/zinc/11/89/53/405118953.db2.gz LMEPPCQEZVZYBC-UHFFFAOYSA-N 0 3 300.406 2.011 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000354439630 405212309 /nfs/dbraw/zinc/21/23/09/405212309.db2.gz FZNPZSWXNJMMID-SFHVURJKSA-N 0 3 316.445 2.388 20 30 DEEDHN C=C(C)COc1cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)ccc1OC ZINC000367837821 405169138 /nfs/dbraw/zinc/16/91/38/405169138.db2.gz VZXATUMNOLDGLC-ZSHCYNCHSA-N 0 3 303.402 2.320 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(C[C@@H](c2ccccc2)N(C)C)C1=O ZINC000419912761 405271232 /nfs/dbraw/zinc/27/12/32/405271232.db2.gz JYQPQNFFQLYVDG-GJZGRUSLSA-N 0 3 301.390 2.176 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(CCN(C)Cc2ccccc2)C1=O ZINC000419919145 405272054 /nfs/dbraw/zinc/27/20/54/405272054.db2.gz AOSCDKAYYRJUHM-OAHLLOKOSA-N 0 3 301.390 2.005 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1CC(C)(C)O ZINC000439440636 405278621 /nfs/dbraw/zinc/27/86/21/405278621.db2.gz OVIKOFGGHMVBBA-CYBMUJFWSA-N 0 3 321.852 2.489 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(C[C@H](C)N(C)Cc2ccccc2)C1=O ZINC000420002921 405279054 /nfs/dbraw/zinc/27/90/54/405279054.db2.gz SHUDEMNHDHFJOA-GOEBONIOSA-N 0 3 315.417 2.394 20 30 DEEDHN COC(=O)[C@@H](C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425357697 405279481 /nfs/dbraw/zinc/27/94/81/405279481.db2.gz SEBILZZKGFBBSP-VHDGCEQUSA-N 0 3 302.374 2.409 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000426042998 405336848 /nfs/dbraw/zinc/33/68/48/405336848.db2.gz GHDUNNOTXQAGJD-IAGOWNOFSA-N 0 3 322.497 2.010 20 30 DEEDHN COc1cccc(C2(NC(=O)C(C)C#N)CCOCC2)c1F ZINC000447273568 405407644 /nfs/dbraw/zinc/40/76/44/405407644.db2.gz IVWGWWPXEYMCSV-LLVKDONJSA-N 0 3 306.337 2.116 20 30 DEEDHN CC[C@@H](NCCS(=O)(=O)N(CC)CC)c1ccc(C#N)cc1 ZINC000447529388 405417311 /nfs/dbraw/zinc/41/73/11/405417311.db2.gz LVJCDVBJPZTJGF-MRXNPFEDSA-N 0 3 323.462 2.271 20 30 DEEDHN C[C@](C#N)(NC(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1)C1CC1 ZINC000428191672 405422296 /nfs/dbraw/zinc/42/22/96/405422296.db2.gz YSVZYOVBKSUOIL-BPSIQINWSA-N 0 3 301.434 2.163 20 30 DEEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)C1(O)CCOCC1 ZINC000421388809 405484707 /nfs/dbraw/zinc/48/47/07/405484707.db2.gz WFCMQYWRICOTOT-UHFFFAOYSA-N 0 3 306.381 2.355 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000577698097 405492873 /nfs/dbraw/zinc/49/28/73/405492873.db2.gz DVOLDWILPAZNTD-KGLIPLIRSA-N 0 3 319.792 2.171 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458723211 405558340 /nfs/dbraw/zinc/55/83/40/405558340.db2.gz DSPDGRIWHVJCNI-OAGGEKHMSA-N 0 3 309.454 2.092 20 30 DEEDHN CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CN2CCC1CC2 ZINC000431025137 405563357 /nfs/dbraw/zinc/56/33/57/405563357.db2.gz XRUSWHTUMOAITJ-INIZCTEOSA-N 0 3 315.442 2.468 20 30 DEEDHN COC(=O)[C@@H](C)Oc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430776412 405506347 /nfs/dbraw/zinc/50/63/47/405506347.db2.gz PAVVGXFGWWDJRA-CYBMUJFWSA-N 0 3 302.374 2.410 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000458755320 405572903 /nfs/dbraw/zinc/57/29/03/405572903.db2.gz DYUNLRWBILCRFW-TUVASFSCSA-N 0 3 321.421 2.352 20 30 DEEDHN CC(C)CO[C@H]1CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528404343 405593305 /nfs/dbraw/zinc/59/33/05/405593305.db2.gz OYCVCEIIRNRVOZ-SJORKVTESA-N 0 3 318.417 2.045 20 30 DEEDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000494251837 405668509 /nfs/dbraw/zinc/66/85/09/405668509.db2.gz TWPRYYIAVMUFGN-BMIGLBTASA-N 0 3 307.781 2.307 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000456961147 405635647 /nfs/dbraw/zinc/63/56/47/405635647.db2.gz HUTSNFYWTLVNQE-QGZVFWFLSA-N 0 3 313.401 2.449 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000559048448 405717082 /nfs/dbraw/zinc/71/70/82/405717082.db2.gz BNNUUXBMLKSWSA-KGLIPLIRSA-N 0 3 300.406 2.254 20 30 DEEDHN CCN(Cc1ccc(C(=O)N(CC#N)CCOC)cc1)C1CC1 ZINC000457183366 405741410 /nfs/dbraw/zinc/74/14/10/405741410.db2.gz OJVKZHBNYCVIQZ-UHFFFAOYSA-N 0 3 315.417 2.283 20 30 DEEDHN Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc1 ZINC000457191398 405744274 /nfs/dbraw/zinc/74/42/74/405744274.db2.gz ZLPHJVOGJULMLC-QGZVFWFLSA-N 0 3 318.380 2.303 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)c1 ZINC000528915201 405744608 /nfs/dbraw/zinc/74/46/08/405744608.db2.gz BCFIZXKWGXSTKV-HNNXBMFYSA-N 0 3 308.341 2.488 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cn2cc3ccccc3n2)CC1 ZINC000530885028 405876522 /nfs/dbraw/zinc/87/65/22/405876522.db2.gz LHZAWTLYVZAJLT-UHFFFAOYSA-N 0 3 312.417 2.193 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@](O)(CC)C1 ZINC000495234140 405851363 /nfs/dbraw/zinc/85/13/63/405851363.db2.gz RDAQYBRHTGNIGU-SJLPKXTDSA-N 0 3 305.418 2.002 20 30 DEEDHN CCOC(=O)[C@@](C)(O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433025257 405852709 /nfs/dbraw/zinc/85/27/09/405852709.db2.gz JEYYUEXNNUNKRA-WBVHZDCISA-N 0 3 304.390 2.325 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000495836844 405935661 /nfs/dbraw/zinc/93/56/61/405935661.db2.gz PGQBOBRTBSSCNJ-QWHCGFSZSA-N 0 3 309.410 2.442 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000562554575 406032557 /nfs/dbraw/zinc/03/25/57/406032557.db2.gz LHYOXMUHDOXUIK-VUCTXSBTSA-N 0 3 311.385 2.495 20 30 DEEDHN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCN2CCCO)c1 ZINC000450593835 405969899 /nfs/dbraw/zinc/96/98/99/405969899.db2.gz JMQOFSRJLPPREE-INIZCTEOSA-N 0 3 301.390 2.020 20 30 DEEDHN C[C@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459606722 405981159 /nfs/dbraw/zinc/98/11/59/405981159.db2.gz FLMRPFAIDUAHLR-BBRMVZONSA-N 0 3 321.446 2.285 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000466136065 406093016 /nfs/dbraw/zinc/09/30/16/406093016.db2.gz IZOODCGYQMNWBX-QGZVFWFLSA-N 0 3 324.513 2.258 20 30 DEEDHN CN(Cc1ccncc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471624617 406103004 /nfs/dbraw/zinc/10/30/04/406103004.db2.gz IQTXHJSBBIVSLQ-KRWDZBQOSA-N 0 3 304.353 2.294 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000567692713 406120023 /nfs/dbraw/zinc/12/00/23/406120023.db2.gz AWYDQCRMOKPMJM-ZDUSSCGKSA-N 0 3 313.382 2.021 20 30 DEEDHN COc1cc(C#N)ccc1CN(CC(C)(C)O)C1CCOCC1 ZINC000535758186 406234626 /nfs/dbraw/zinc/23/46/26/406234626.db2.gz MHLYMZKWPRXHQY-UHFFFAOYSA-N 0 3 318.417 2.319 20 30 DEEDHN CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000487999855 406282702 /nfs/dbraw/zinc/28/27/02/406282702.db2.gz NNGQPHLPBRDNAF-RHSMWYFYSA-N 0 3 314.433 2.157 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000537187546 406284591 /nfs/dbraw/zinc/28/45/91/406284591.db2.gz MMAPMACDWHJQKB-INIZCTEOSA-N 0 3 310.486 2.058 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cccc(C#N)c1F ZINC000488688398 406338740 /nfs/dbraw/zinc/33/87/40/406338740.db2.gz NRVGBTNEFRLFBE-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H](C)C#N)C1 ZINC000541949401 406302498 /nfs/dbraw/zinc/30/24/98/406302498.db2.gz XPUOJQFJYLOLFM-IIAWOOMASA-N 0 3 300.406 2.281 20 30 DEEDHN COc1ccc(CN2CC[C@H](N[C@H]3CC[C@@H](C#N)C3)C2=O)cc1 ZINC000570355401 406382375 /nfs/dbraw/zinc/38/23/75/406382375.db2.gz SIJFRMWCYSEJSS-VYDXJSESSA-N 0 3 313.401 2.078 20 30 DEEDHN COCCN(Cc1ccc(OC)c(C#N)c1)[C@H]1CCO[C@H]1C ZINC000489438569 406406446 /nfs/dbraw/zinc/40/64/46/406406446.db2.gz XNKULOOIBPHTST-BBRMVZONSA-N 0 3 304.390 2.193 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](N)CCCC#N)Nc1ccccc1 ZINC000570276665 406370892 /nfs/dbraw/zinc/37/08/92/406370892.db2.gz OIXYXNYXICMLHY-HZPDHXFCSA-N 0 3 302.422 2.260 20 30 DEEDHN C=CCCCS(=O)(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 ZINC000489123526 406378983 /nfs/dbraw/zinc/37/89/83/406378983.db2.gz OCMCXMDSSMPUJQ-GJZGRUSLSA-N 0 3 302.484 2.240 20 30 DEEDHN CN(C)CCNC(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000490552518 406469663 /nfs/dbraw/zinc/46/96/63/406469663.db2.gz RKEGSYFEICGPOM-HJWRWDBZSA-N 0 3 310.401 2.246 20 30 DEEDHN C#C[C@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC000490630596 406476964 /nfs/dbraw/zinc/47/69/64/406476964.db2.gz RFFHROWCJDJSOG-SFHVURJKSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000490689852 406482459 /nfs/dbraw/zinc/48/24/59/406482459.db2.gz QAOQNIVGNRKWMB-PBHICJAKSA-N 0 3 317.408 2.453 20 30 DEEDHN C#CCNC(=O)C1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000491156017 406535405 /nfs/dbraw/zinc/53/54/05/406535405.db2.gz WUIUHLGJRFRZFO-UHFFFAOYSA-N 0 3 320.820 2.180 20 30 DEEDHN C#CCN(C)CCCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000491165886 406536478 /nfs/dbraw/zinc/53/64/78/406536478.db2.gz NYPCXCSTMZXBIH-GOSISDBHSA-N 0 3 312.392 2.250 20 30 DEEDHN C#CCNC(=O)CCN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000491203097 406543471 /nfs/dbraw/zinc/54/34/71/406543471.db2.gz SJEJBGNUWJULRJ-UHFFFAOYSA-N 0 3 318.392 2.095 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000491201716 406543773 /nfs/dbraw/zinc/54/37/73/406543773.db2.gz IWUHJNAJEIJRPM-AWEZNQCLSA-N 0 3 320.820 2.323 20 30 DEEDHN C#CCN1CCC[C@H]1COC(=O)c1cccc(CN(C)C)c1 ZINC000491568257 406626109 /nfs/dbraw/zinc/62/61/09/406626109.db2.gz PVCCGKKRXMQEHC-KRWDZBQOSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCN(C(=O)Nc1cc(C)nn1C1CCN(C)CC1)C1CC1 ZINC000491615252 406631121 /nfs/dbraw/zinc/63/11/21/406631121.db2.gz CCJYFVBQWDIMMV-UHFFFAOYSA-N 0 3 315.421 2.088 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(COc2ccccc2)cc1 ZINC000491615201 406631392 /nfs/dbraw/zinc/63/13/92/406631392.db2.gz BTWTVTDSKIZXAT-UHFFFAOYSA-N 0 3 322.408 2.495 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000491394924 406583975 /nfs/dbraw/zinc/58/39/75/406583975.db2.gz ORFNQZDATYPTNV-CQSZACIVSA-N 0 3 320.458 2.247 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000527128505 406587070 /nfs/dbraw/zinc/58/70/70/406587070.db2.gz LZHHRHCNTRHPIJ-IMJJTQAJSA-N 0 3 319.449 2.074 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000491667784 406658492 /nfs/dbraw/zinc/65/84/92/406658492.db2.gz XISNDIGSOFOLHH-GOSISDBHSA-N 0 3 314.429 2.266 20 30 DEEDHN N#Cc1csc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000552020491 406673124 /nfs/dbraw/zinc/67/31/24/406673124.db2.gz RUERELVHJHUNPK-AWEZNQCLSA-N 0 3 318.446 2.390 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000491697792 406675037 /nfs/dbraw/zinc/67/50/37/406675037.db2.gz AOSVQBUEJLEQAR-CRAIPNDOSA-N 0 3 313.445 2.486 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C\c1cc(C)ccc1OC ZINC000491759953 406704335 /nfs/dbraw/zinc/70/43/35/406704335.db2.gz OWSJGECSZHGKHG-NTMALXAHSA-N 0 3 300.402 2.088 20 30 DEEDHN C#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000491712283 406683186 /nfs/dbraw/zinc/68/31/86/406683186.db2.gz WWBWCQIEZFFOJP-QGZVFWFLSA-N 0 3 300.377 2.491 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000491729392 406691336 /nfs/dbraw/zinc/69/13/36/406691336.db2.gz JQPAYUFJIXSLQL-AEFFLSMTSA-N 0 3 300.377 2.085 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000491642705 406647386 /nfs/dbraw/zinc/64/73/86/406647386.db2.gz YCIHVNJCHJFLLI-AWEZNQCLSA-N 0 3 303.406 2.421 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000491810900 406731675 /nfs/dbraw/zinc/73/16/75/406731675.db2.gz ANZSPKMYHPWCLE-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000491815786 406733933 /nfs/dbraw/zinc/73/39/33/406733933.db2.gz LTAJYKICENTCQR-DOMZBBRYSA-N 0 3 321.371 2.075 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640924262 406742784 /nfs/dbraw/zinc/74/27/84/406742784.db2.gz TWABMXIVXOWPDP-OCCSQVGLSA-N 0 3 307.442 2.310 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000573081223 406769872 /nfs/dbraw/zinc/76/98/72/406769872.db2.gz QUHHMRDLHPHDLY-ORQFMDKSSA-N 0 3 317.433 2.321 20 30 DEEDHN C#CCNC(=O)C1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000491785374 406718840 /nfs/dbraw/zinc/71/88/40/406718840.db2.gz NFDHBELSBUDZBR-UHFFFAOYSA-N 0 3 312.413 2.111 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000491808155 406730380 /nfs/dbraw/zinc/73/03/80/406730380.db2.gz DGBPJMRRSHDDBR-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)CCN1C ZINC000491933478 406782703 /nfs/dbraw/zinc/78/27/03/406782703.db2.gz BVQNMOINCJWOBD-ZTHSPGPESA-N 0 3 313.401 2.201 20 30 DEEDHN C[C@@H]1N(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCOC1(C)C ZINC000576444697 406831106 /nfs/dbraw/zinc/83/11/06/406831106.db2.gz LUASMEPZJSDCSC-BBRMVZONSA-N 0 3 311.385 2.266 20 30 DEEDHN N#CCCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000576940787 406834048 /nfs/dbraw/zinc/83/40/48/406834048.db2.gz DRWFJHYFUHMOOL-MRXNPFEDSA-N 0 3 300.406 2.412 20 30 DEEDHN Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)cc(C#N)n1 ZINC000555242014 406837231 /nfs/dbraw/zinc/83/72/31/406837231.db2.gz CPQDZKLEDKYZGL-LJQANCHMSA-N 0 3 322.412 2.093 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000555582452 406848543 /nfs/dbraw/zinc/84/85/43/406848543.db2.gz KULVNBRBWZKZEW-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C=CCCCS(=O)(=O)N(C)CCCCN1CCCCC1 ZINC000641698069 406874328 /nfs/dbraw/zinc/87/43/28/406874328.db2.gz PJINGMQKKHBJKL-UHFFFAOYSA-N 0 3 302.484 2.480 20 30 DEEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](C)N1CCOCC1 ZINC000271947676 287050780 /nfs/dbraw/zinc/05/07/80/287050780.db2.gz NSBXURJYZPSSOG-RDBSUJKOSA-N 0 3 305.397 2.457 20 30 DEEDHN C[C@@H](O)CN(CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 ZINC000078516135 287082680 /nfs/dbraw/zinc/08/26/80/287082680.db2.gz KSYHSSOUTNZDRC-OAHLLOKOSA-N 0 3 321.465 2.345 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000571030608 292521390 /nfs/dbraw/zinc/52/13/90/292521390.db2.gz VIWDLDMBLCZADC-HNNXBMFYSA-N 0 3 323.462 2.317 20 30 DEEDHN CCO[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000128949412 196006648 /nfs/dbraw/zinc/00/66/48/196006648.db2.gz QSIMEAISAFWITD-INIZCTEOSA-N 0 3 301.390 2.388 20 30 DEEDHN C=CCNc1ncc(C(=O)N(CC)C2CCN(C)CC2)s1 ZINC000630005340 422921666 /nfs/dbraw/zinc/92/16/66/422921666.db2.gz FPFFFXJPGIJBHV-UHFFFAOYSA-N 0 3 308.451 2.297 20 30 DEEDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000192790943 225142438 /nfs/dbraw/zinc/14/24/38/225142438.db2.gz PHTSUSWSNBFLDM-CZUORRHYSA-N 0 3 306.431 2.403 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(OCC#N)cc1)CC2 ZINC000265014697 225321967 /nfs/dbraw/zinc/32/19/67/225321967.db2.gz GFGSPOKUCHITDA-INIZCTEOSA-N 0 3 314.385 2.364 20 30 DEEDHN COCCOC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000265339417 225331434 /nfs/dbraw/zinc/33/14/34/225331434.db2.gz XZOHZXUVIBPPHV-UHFFFAOYSA-N 0 3 304.390 2.216 20 30 DEEDHN N#CCCOCCN1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000339202972 226181719 /nfs/dbraw/zinc/18/17/19/226181719.db2.gz UKTFSFQFZKHCSG-GOEBONIOSA-N 0 3 308.809 2.278 20 30 DEEDHN N#CCCOCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000338898622 226174288 /nfs/dbraw/zinc/17/42/88/226174288.db2.gz APJMQCDPIQAFOC-OAHLLOKOSA-N 0 3 317.437 2.114 20 30 DEEDHN N#CCCCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000371496056 227071596 /nfs/dbraw/zinc/07/15/96/227071596.db2.gz WWSPWRSYLJBWMX-UHFFFAOYSA-N 0 3 321.446 2.123 20 30 DEEDHN CN(C)CCOc1cc(CNc2ncc(C#N)cc2F)ccn1 ZINC000413216199 228292320 /nfs/dbraw/zinc/29/23/20/228292320.db2.gz QPDQYEOYEPULEI-UHFFFAOYSA-N 0 3 315.352 2.040 20 30 DEEDHN Cc1cc(NC(=O)CCNCc2ccc(C#N)c(F)c2)no1 ZINC000521863738 421802074 /nfs/dbraw/zinc/80/20/74/421802074.db2.gz DYQUYTIZLHAKJJ-UHFFFAOYSA-N 0 3 302.309 2.112 20 30 DEEDHN Cc1c(Cl)cnc(NCCCN2CCC(O)CC2)c1C#N ZINC000273318304 269905281 /nfs/dbraw/zinc/90/52/81/269905281.db2.gz JSRYANZVIYSGIO-UHFFFAOYSA-N 0 3 308.813 2.174 20 30 DEEDHN COc1ccc(C)cc1CN(C)CCCc1[nH]nc(N)c1C#N ZINC000535547398 424853956 /nfs/dbraw/zinc/85/39/56/424853956.db2.gz DYICYUNYQNXOKQ-UHFFFAOYSA-N 0 3 313.405 2.245 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000566913478 424912121 /nfs/dbraw/zinc/91/21/21/424912121.db2.gz DYXGXJGZVAVPIS-LBPRGKRZSA-N 0 3 318.764 2.955 20 30 DEEDHN COc1ccccc1[C@@H](CNc1cc(C#N)ncn1)N1CCCC1 ZINC000582838871 424981762 /nfs/dbraw/zinc/98/17/62/424981762.db2.gz VKRMGDMMCFCYBQ-MRXNPFEDSA-N 0 3 323.400 2.606 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000649407043 425012317 /nfs/dbraw/zinc/01/23/17/425012317.db2.gz DLEFZASSIFLMAH-HZPDHXFCSA-N 0 3 306.450 2.038 20 30 DEEDHN COc1ccccc1[C@H](CNc1cc(C#N)cnn1)N1CCCC1 ZINC000596053807 425017204 /nfs/dbraw/zinc/01/72/04/425017204.db2.gz INWVKJMFGVCOSY-INIZCTEOSA-N 0 3 323.400 2.606 20 30 DEEDHN CCc1nc(C#N)cc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000596217467 425021300 /nfs/dbraw/zinc/02/13/00/425021300.db2.gz RAHCHIDHWBPELK-UGSOOPFHSA-N 0 3 309.417 3.014 20 30 DEEDHN C=CCCN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745326 425073848 /nfs/dbraw/zinc/07/38/48/425073848.db2.gz JUYJHHRXJXYCAS-UHFFFAOYSA-N 0 3 308.447 2.491 20 30 DEEDHN C=CCN1CCC(Nc2cc(C(C)C)nc(N(C)C)n2)CC1 ZINC000462827773 425107891 /nfs/dbraw/zinc/10/78/91/425107891.db2.gz JXAYGAAFYZZINH-UHFFFAOYSA-N 0 3 303.454 2.728 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC3(CCCC3)OC[C@H]2C)CC1 ZINC000660703659 425211563 /nfs/dbraw/zinc/21/15/63/425211563.db2.gz GDAWNFRLNWDQAY-OAHLLOKOSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1CC1CCOCC1 ZINC000661113870 425327376 /nfs/dbraw/zinc/32/73/76/425327376.db2.gz BLWGNMLBGLLHIZ-CVEARBPZSA-N 0 3 319.453 2.324 20 30 DEEDHN C=CCCn1cc(CNC[C@H](c2ccnn2C)C(C)C)nn1 ZINC000657445046 425334993 /nfs/dbraw/zinc/33/49/93/425334993.db2.gz WXCTVCKGQZRORJ-HNNXBMFYSA-N 0 3 302.426 2.117 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3ccc(O)cc32)CC1 ZINC000664019355 425290286 /nfs/dbraw/zinc/29/02/86/425290286.db2.gz IVORTRAFASXCAS-QGZVFWFLSA-N 0 3 315.417 2.329 20 30 DEEDHN C=C(C)CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661047289 425306007 /nfs/dbraw/zinc/30/60/07/425306007.db2.gz KQZCWJBGLXZTEF-UHFFFAOYSA-N 0 3 302.422 2.169 20 30 DEEDHN C=CCN1CCC(NC(=O)N2Cc3ccc(OC)cc3C2)CC1 ZINC000654431790 425352728 /nfs/dbraw/zinc/35/27/28/425352728.db2.gz ZRTKIXDGABVZMH-UHFFFAOYSA-N 0 3 315.417 2.371 20 30 DEEDHN C=C(C)COCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659037838 425523625 /nfs/dbraw/zinc/52/36/25/425523625.db2.gz JTNYZKLZIAQPQH-INIZCTEOSA-N 0 3 319.405 2.062 20 30 DEEDHN C=C[C@](C)(O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000665444405 425574490 /nfs/dbraw/zinc/57/44/90/425574490.db2.gz JLIYTTHJEDPILS-SFHVURJKSA-N 0 3 317.433 2.012 20 30 DEEDHN C=CCCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000665945100 425672027 /nfs/dbraw/zinc/67/20/27/425672027.db2.gz DLOKGHFXJRQNKZ-UHFFFAOYSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccn(CCN(C)C)n1 ZINC000666184009 425714108 /nfs/dbraw/zinc/71/41/08/425714108.db2.gz SEHYBVHDFIIPJY-OKILXGFUSA-N 0 3 303.410 2.160 20 30 DEEDHN Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000525919508 268035270 /nfs/dbraw/zinc/03/52/70/268035270.db2.gz FCDSPQGCNQFMOO-SFHVURJKSA-N 0 3 318.380 2.303 20 30 DEEDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N)C1CC1 ZINC000414197093 274061991 /nfs/dbraw/zinc/06/19/91/274061991.db2.gz XNPRORWPMJTSKX-OZVIIMIRSA-N 0 3 301.390 2.288 20 30 DEEDHN COc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1C#N ZINC000288680366 274110596 /nfs/dbraw/zinc/11/05/96/274110596.db2.gz XBLQWWYBFVGCNV-QAPCUYQASA-N 0 3 310.353 2.151 20 30 DEEDHN CS[C@@H]1CN(C(=O)C#Cc2ccccc2)C[C@@H]1N1CCCC1 ZINC000275228842 274180134 /nfs/dbraw/zinc/18/01/34/274180134.db2.gz DRXSBOBYGDDCGG-DLBZAZTESA-N 0 3 314.454 2.076 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN(C2CCOCC2)CC1 ZINC000267115391 274930414 /nfs/dbraw/zinc/93/04/14/274930414.db2.gz ZNPMUIJRTIKYNJ-UHFFFAOYSA-N 0 3 322.412 2.407 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000429715370 275416530 /nfs/dbraw/zinc/41/65/30/275416530.db2.gz ZSZCXDKZQUAQPX-OIISXLGYSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)OC[C@@H]2C)CC1 ZINC000362851130 275738472 /nfs/dbraw/zinc/73/84/72/275738472.db2.gz DDFLXEORIHYXMQ-AWEZNQCLSA-N 0 3 309.454 2.236 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(C1CC1)C1CCCC1 ZINC000329170404 276846082 /nfs/dbraw/zinc/84/60/82/276846082.db2.gz JNEAJRRALSTRBO-HUUCEWRRSA-N 0 3 307.438 2.265 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000352454203 276885564 /nfs/dbraw/zinc/88/55/64/276885564.db2.gz SSQUZLFKWOWIRF-RBSFLKMASA-N 0 3 312.479 2.006 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C)(O)CC1)C(C)C ZINC000177448344 276891066 /nfs/dbraw/zinc/89/10/66/276891066.db2.gz PHCUXAPZBBKSIK-INIZCTEOSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCOC1)C(C)C ZINC000266710515 276891591 /nfs/dbraw/zinc/89/15/91/276891591.db2.gz 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CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451480003 280104045 /nfs/dbraw/zinc/10/40/45/280104045.db2.gz NXBQRGCTPKCVCE-PQHDGLIZSA-N 0 3 321.465 2.223 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451480005 280505299 /nfs/dbraw/zinc/50/52/99/280505299.db2.gz NXBQRGCTPKCVCE-YPIIOCQESA-N 0 3 321.465 2.223 20 30 DEEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](C2CCOCC2)C1 ZINC000328818078 289394106 /nfs/dbraw/zinc/39/41/06/289394106.db2.gz GYEQNFHZZFSHHP-YPMHNXCESA-N 0 3 309.410 2.156 20 30 DEEDHN CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1(C)C ZINC000451490045 294876611 /nfs/dbraw/zinc/87/66/11/294876611.db2.gz ODXOVUYIGHRJKS-WRFANHODSA-N 0 3 309.454 2.223 20 30 DEEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCN1CCCOCC1 ZINC000361318149 303157988 /nfs/dbraw/zinc/15/79/88/303157988.db2.gz IAUIEXNAUNSCAE-RBUKOAKNSA-N 0 3 313.445 2.480 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000442783903 303160153 /nfs/dbraw/zinc/16/01/53/303160153.db2.gz UPVDZDLTTADNPZ-ZTFGCOKTSA-N 0 3 317.408 2.481 20 30 DEEDHN CC(C)OCCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001099069903 782084355 /nfs/dbraw/zinc/08/43/55/782084355.db2.gz OMQFGHRFZCTGFH-QGZVFWFLSA-N 0 3 320.477 2.432 20 30 DEEDHN CC(C)=CCC[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000572870507 325992236 /nfs/dbraw/zinc/99/22/36/325992236.db2.gz ROUJGKKLQUAORO-AWEZNQCLSA-N 0 3 321.446 2.451 20 30 DEEDHN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000576565188 326302255 /nfs/dbraw/zinc/30/22/55/326302255.db2.gz JBOWMLXZINISDM-DOPJRALCSA-N 0 3 309.413 2.428 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC2(CC2)CC1 ZINC000528435112 331606040 /nfs/dbraw/zinc/60/60/40/331606040.db2.gz XVVDAYISYJLZAL-UHFFFAOYSA-N 0 3 308.381 2.162 20 30 DEEDHN CO[C@@H]1C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C12CCC2 ZINC000560602257 332368108 /nfs/dbraw/zinc/36/81/08/332368108.db2.gz XAQJNDVCTDEHSE-LSDHHAIUSA-N 0 3 319.449 2.218 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000497149851 333089472 /nfs/dbraw/zinc/08/94/72/333089472.db2.gz SYYHQGHSMYMHLV-CYBMUJFWSA-N 0 3 311.426 2.152 20 30 DEEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000351939722 336181665 /nfs/dbraw/zinc/18/16/65/336181665.db2.gz WMQCTIHNPACWBC-YOEHRIQHSA-N 0 3 309.454 2.320 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(OC)cc2)[C@H]1C ZINC001089001235 782109781 /nfs/dbraw/zinc/10/97/81/782109781.db2.gz WUBSGSNSVASKQN-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000563977102 336389360 /nfs/dbraw/zinc/38/93/60/336389360.db2.gz ZVCBWAJWPOOHOO-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCOc1ccc(CNCCC(=O)N[C@H](C)CC)cc1 ZINC000113324328 336400686 /nfs/dbraw/zinc/40/06/86/336400686.db2.gz CUZHJPHZNDIHLT-OAHLLOKOSA-N 0 3 302.418 2.483 20 30 DEEDHN C[C@H](N[C@@H]1CCO[C@@H]1c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000582396378 336957642 /nfs/dbraw/zinc/95/76/42/336957642.db2.gz 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/nfs/dbraw/zinc/09/24/34/338092434.db2.gz CLVWSXYDLBBKOP-SJLPKXTDSA-N 0 3 323.481 2.241 20 30 DEEDHN C=C(CN(C)C)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000496253920 340001610 /nfs/dbraw/zinc/00/16/10/340001610.db2.gz LEVQYIDCKKCGJK-UHFFFAOYSA-N 0 3 303.362 2.008 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000496818771 340013769 /nfs/dbraw/zinc/01/37/69/340013769.db2.gz UVVABPAGDMDOGR-GJZGRUSLSA-N 0 3 321.421 2.396 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000541018961 340956368 /nfs/dbraw/zinc/95/63/68/340956368.db2.gz NYCBKFMWMRDIOT-CYBMUJFWSA-N 0 3 304.394 2.045 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC[C@H](O)CC1)C(C)C ZINC000245526177 341299817 /nfs/dbraw/zinc/29/98/17/341299817.db2.gz FJGUXDYZPIJROV-ULQDDVLXSA-N 0 3 323.481 2.288 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000248958674 341390825 /nfs/dbraw/zinc/39/08/25/341390825.db2.gz BWMUXAFSGSCCJQ-GLQYFDAESA-N 0 3 308.809 2.450 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCCC(F)(F)F)cc1 ZINC000565946486 341543342 /nfs/dbraw/zinc/54/33/42/341543342.db2.gz UZJUABSOGOUFKZ-GFCCVEGCSA-N 0 3 302.296 2.034 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000577833612 341941275 /nfs/dbraw/zinc/94/12/75/341941275.db2.gz WUXRKZLKQSXWOK-ZIAGYGMSSA-N 0 3 315.417 2.259 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@](C)(C2CC2)C1=O)C(C)C ZINC000348778543 341957501 /nfs/dbraw/zinc/95/75/01/341957501.db2.gz ANHXUKZEOQLNEQ-MAUKXSAKSA-N 0 3 319.449 2.406 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)[C@H]1C ZINC001089040167 782128777 /nfs/dbraw/zinc/12/87/77/782128777.db2.gz DAABZPTYAAZJMI-OCCSQVGLSA-N 0 3 314.389 2.438 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cn2c(n1)CCC2)C1CC1 ZINC001378396724 1152316820 /nfs/dbraw/zinc/31/68/20/1152316820.db2.gz ITVIQXGVYSNIRK-MRXNPFEDSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001378398619 1152317270 /nfs/dbraw/zinc/31/72/70/1152317270.db2.gz 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1149053929 /nfs/dbraw/zinc/05/39/29/1149053929.db2.gz KXNPIINGOVNPPC-AEFFLSMTSA-N 0 3 324.465 2.069 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378746059 1152433649 /nfs/dbraw/zinc/43/36/49/1152433649.db2.gz ZJURQUYIHGEHBW-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC001330211236 1149071140 /nfs/dbraw/zinc/07/11/40/1149071140.db2.gz TZEDUJGNTMYQSJ-HNNXBMFYSA-N 0 3 319.449 2.274 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC001330240483 1149076814 /nfs/dbraw/zinc/07/68/14/1149076814.db2.gz CUKWVGRQKDQXFW-LSDHHAIUSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CCC)C(=O)CN(C)C(C)C)C1 ZINC001400146148 1161666682 /nfs/dbraw/zinc/66/66/82/1161666682.db2.gz NBWVXYPBSVJFEC-HNNXBMFYSA-N 0 3 315.889 2.392 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCc1ccon1)C1CC1 ZINC001400996488 1161857744 /nfs/dbraw/zinc/85/77/44/1161857744.db2.gz VRGJJHHCZOUBAL-OAHLLOKOSA-N 0 3 311.813 2.234 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(CC)nnc1C)C(C)C ZINC001401339182 1161937766 /nfs/dbraw/zinc/93/77/66/1161937766.db2.gz TWCZPCDCWVNQSW-HNNXBMFYSA-N 0 3 324.856 2.444 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001330344190 1149096136 /nfs/dbraw/zinc/09/61/36/1149096136.db2.gz AKWRSQIQFZOJLT-NUABRCLCSA-N 0 3 308.425 2.107 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001378872861 1152474911 /nfs/dbraw/zinc/47/49/11/1152474911.db2.gz MQPSDAGSEADUKV-JOCQHMNTSA-N 0 3 310.829 2.315 20 30 DEEDHN CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C1(CO)CCC1 ZINC000339732346 519798923 /nfs/dbraw/zinc/79/89/23/519798923.db2.gz RZFORVTYFRIDPD-QGZVFWFLSA-N 0 3 315.417 2.274 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)CCN1CC(C)(C)O ZINC000331279122 534471922 /nfs/dbraw/zinc/47/19/22/534471922.db2.gz AOFHZKANFWDRHG-OAHLLOKOSA-N 0 3 301.434 2.030 20 30 DEEDHN C=CC(C)(C)CNC(=O)NCc1ccncc1OCCN(C)C ZINC000454976680 534511295 /nfs/dbraw/zinc/51/12/95/534511295.db2.gz NIEWETBUACQPDB-UHFFFAOYSA-N 0 3 320.437 2.033 20 30 DEEDHN C=CCC1(CNC(=O)CCN2CCN(CC)CC2)CCCC1 ZINC000456485122 534598800 /nfs/dbraw/zinc/59/88/00/534598800.db2.gz KIZSESWWKXSLME-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1[nH]cnc1C ZINC001402040561 1162225483 /nfs/dbraw/zinc/22/54/83/1162225483.db2.gz LXQZKAOFXFCRQU-WCQYABFASA-N 0 3 310.829 2.443 20 30 DEEDHN CC#CCCCC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000368395621 526290889 /nfs/dbraw/zinc/29/08/89/526290889.db2.gz UJLXWPNZGXSROE-UHFFFAOYSA-N 0 3 319.493 2.197 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOCc2ccccc2)CC1 ZINC000171715791 526420801 /nfs/dbraw/zinc/42/08/01/526420801.db2.gz VHKPHHJCJXPXPF-UHFFFAOYSA-N 0 3 302.418 2.360 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2(CCO)CCCCC2)CC1 ZINC000338641058 526431429 /nfs/dbraw/zinc/43/14/29/526431429.db2.gz LZURHBGWRPQXTH-UHFFFAOYSA-N 0 3 309.454 2.021 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](OC)CC2)CC1 ZINC000373287991 526584944 /nfs/dbraw/zinc/58/49/44/526584944.db2.gz XNAGTQCYGGZYSM-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](CO)(CCC)C2)CC1 ZINC000378044292 526586816 /nfs/dbraw/zinc/58/68/16/526586816.db2.gz ADHUFLCKBWDRCN-SFHVURJKSA-N 0 3 323.481 2.221 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2c(F)cccc2F)cc1 ZINC000112710769 526623405 /nfs/dbraw/zinc/62/34/05/526623405.db2.gz UDYXTLDGUGHVMA-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H](CO)[C@H]2CCCO2)ccc1OC ZINC000447966946 526662643 /nfs/dbraw/zinc/66/26/43/526662643.db2.gz LTGJYYDYDZGLCL-JKSUJKDBSA-N 0 3 321.417 2.280 20 30 DEEDHN C=CCOCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000338905522 526770891 /nfs/dbraw/zinc/77/08/91/526770891.db2.gz QQDPVXNVMMLCGU-HNNXBMFYSA-N 0 3 304.438 2.387 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(SC)cc1 ZINC000296800065 526813831 /nfs/dbraw/zinc/81/38/31/526813831.db2.gz IQMDPFCPLVXDIW-UHFFFAOYSA-N 0 3 319.474 2.205 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCN1C ZINC000299348015 526905272 /nfs/dbraw/zinc/90/52/72/526905272.db2.gz HFBIEBZKGQHNAJ-MRXNPFEDSA-N 0 3 303.381 2.065 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)CNc2ccccc2)CC1 ZINC000295797682 526927946 /nfs/dbraw/zinc/92/79/46/526927946.db2.gz FWHWXDLZSVCYKT-KRWDZBQOSA-N 0 3 313.445 2.339 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3nnco3)cc2)CC1 ZINC000299351125 526931054 /nfs/dbraw/zinc/93/10/54/526931054.db2.gz OGNXOOMBMMSQMO-UHFFFAOYSA-N 0 3 310.357 2.020 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417587236 526939627 /nfs/dbraw/zinc/93/96/27/526939627.db2.gz BNLOIBGMYZLLOA-ZIAGYGMSSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000341522918 526966486 /nfs/dbraw/zinc/96/64/86/526966486.db2.gz GZBBWGLQOHWDJB-ZIAGYGMSSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCNC(=O)CCN1CCC(=Cc2ccccc2F)CC1 ZINC000292711884 526975183 /nfs/dbraw/zinc/97/51/83/526975183.db2.gz FEHRWJIFPWGKSQ-UHFFFAOYSA-N 0 3 300.377 2.444 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000294956302 527077765 /nfs/dbraw/zinc/07/77/65/527077765.db2.gz OQURDBTUGINWQB-MRXNPFEDSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000294642523 527080423 /nfs/dbraw/zinc/08/04/23/527080423.db2.gz QPUZLWMHZHWXFO-HUUCEWRRSA-N 0 3 302.418 2.270 20 30 DEEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000341871952 527082676 /nfs/dbraw/zinc/08/26/76/527082676.db2.gz DPBVNBABVBICSP-TZMCWYRMSA-N 0 3 306.406 2.489 20 30 DEEDHN C#CCO[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000295827215 527084088 /nfs/dbraw/zinc/08/40/88/527084088.db2.gz MHXKRHGDGKSWAL-GFCCVEGCSA-N 0 3 324.808 2.257 20 30 DEEDHN C=CCCCCCN1CCN(c2ncccc2C(N)=O)CC1 ZINC000193419449 527133553 /nfs/dbraw/zinc/13/35/53/527133553.db2.gz PRGYNEGJIJEZAP-UHFFFAOYSA-N 0 3 302.422 2.049 20 30 DEEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000341478431 527141579 /nfs/dbraw/zinc/14/15/79/527141579.db2.gz LLOWXQHSGQIQCJ-LXIYXOSZSA-N 0 3 315.417 2.432 20 30 DEEDHN C=CC[C@H](CO)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000337026762 527208033 /nfs/dbraw/zinc/20/80/33/527208033.db2.gz CXCBSLJHPGDCRZ-MRXNPFEDSA-N 0 3 302.418 2.338 20 30 DEEDHN C=CCc1cc(CN[C@@]2(CCOC)CCOC2)cc(OC)c1O ZINC000447073473 527244278 /nfs/dbraw/zinc/24/42/78/527244278.db2.gz VQUGSTXYTPYYQY-SFHVURJKSA-N 0 3 321.417 2.415 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000299271679 527380580 /nfs/dbraw/zinc/38/05/80/527380580.db2.gz KAMXBWMUVVUZQX-HNNXBMFYSA-N 0 3 320.433 2.224 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@@H](C)N(C[C@@H](O)CCC=C)[C@@H](C)C1 ZINC000193258666 527456967 /nfs/dbraw/zinc/45/69/67/527456967.db2.gz OVVPVQKGHAEBDZ-XDNAFOTISA-N 0 3 310.482 2.035 20 30 DEEDHN CC(C)(C#N)CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000331140325 527459638 /nfs/dbraw/zinc/45/96/38/527459638.db2.gz GPXHZLJKZBWBLP-OAHLLOKOSA-N 0 3 301.390 2.132 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000373140532 527609621 /nfs/dbraw/zinc/60/96/21/527609621.db2.gz NFMKQXKHYREKMB-IAGOWNOFSA-N 0 3 306.450 2.326 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C2CCOCC2)C1 ZINC000339134771 527634604 /nfs/dbraw/zinc/63/46/04/527634604.db2.gz KTKHIHAHHPTNBB-DOTOQJQBSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429225479 527637435 /nfs/dbraw/zinc/63/74/35/527637435.db2.gz FTJZDQPSHIMARY-DZGCQCFKSA-N 0 3 300.402 2.038 20 30 DEEDHN CCN1CCN(c2cccc(Nc3ccc(C#N)nn3)c2)CC1 ZINC000302248390 527711278 /nfs/dbraw/zinc/71/12/78/527711278.db2.gz LPMMRVICLOCXDK-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN CC(C)OCCN1CCC(Nc2ncc(C#N)cc2F)CC1 ZINC000413186806 527954662 /nfs/dbraw/zinc/95/46/62/527954662.db2.gz UEVUTGVWWIWRFK-UHFFFAOYSA-N 0 3 306.385 2.394 20 30 DEEDHN CCCO[C@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000247269766 528610378 /nfs/dbraw/zinc/61/03/78/528610378.db2.gz XZEURJAYOWNLFV-CVEARBPZSA-N 0 3 309.454 2.276 20 30 DEEDHN CCN(C[C@@H]1CCN(CCOCCC#N)C1)CC(F)(F)F ZINC000339011017 528681552 /nfs/dbraw/zinc/68/15/52/528681552.db2.gz ONNBCYPKKVDXDV-ZDUSSCGKSA-N 0 3 307.360 2.123 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CSc2ccccc2O1 ZINC000835065063 649874404 /nfs/dbraw/zinc/87/44/04/649874404.db2.gz LYIYAYYVQBJCOR-NWDGAFQWSA-N 0 3 318.398 2.163 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSC1CC1 ZINC000835065146 649874518 /nfs/dbraw/zinc/87/45/18/649874518.db2.gz LFZJLGHKGVPAPB-LLVKDONJSA-N 0 3 304.371 2.238 20 30 DEEDHN CO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077098 649875966 /nfs/dbraw/zinc/87/59/66/649875966.db2.gz OKFWOCNHTYARCG-BFQNTYOBSA-N 0 3 314.341 2.446 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@](CO)(NC/C=C/Cl)C1 ZINC001327569461 1148590093 /nfs/dbraw/zinc/59/00/93/1148590093.db2.gz ONOFXJKCMMOQEH-BVBGJJFLSA-N 0 3 314.857 2.284 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001327594664 1148593976 /nfs/dbraw/zinc/59/39/76/1148593976.db2.gz GXSNEFNENADYBR-LPHOPBHVSA-N 0 3 322.493 2.415 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001327607261 1148597858 /nfs/dbraw/zinc/59/78/58/1148597858.db2.gz MMPIBYXSMDNRHG-OALUTQOASA-N 0 3 318.461 2.089 20 30 DEEDHN C=CCCC(=O)N1CC2(C1)CCCN(CCOCC1CC1)C2 ZINC001330487012 1149159108 /nfs/dbraw/zinc/15/91/08/1149159108.db2.gz HOIWVGMUMFFVLL-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN Cc1cc(CN[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)sn1 ZINC001327843938 1148656719 /nfs/dbraw/zinc/65/67/19/1148656719.db2.gz PQDUVDBNNXBLNI-DOMZBBRYSA-N 0 3 305.447 2.047 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)CCC(F)(F)F)C[C@]2(C)C1 ZINC001330525651 1149177863 /nfs/dbraw/zinc/17/78/63/1149177863.db2.gz PVVSCSNAWMPBHY-OKILXGFUSA-N 0 3 302.340 2.133 20 30 DEEDHN CC(C)SCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001379485576 1152631155 /nfs/dbraw/zinc/63/11/55/1152631155.db2.gz LAZBEASZMFWLTC-NSHDSACASA-N 0 3 311.476 2.356 20 30 DEEDHN CCc1[nH]ccc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001379497978 1152633719 /nfs/dbraw/zinc/63/37/19/1152633719.db2.gz YRBVXQRXAGNIAQ-NSHDSACASA-N 0 3 316.430 2.418 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCOCC2)C1 ZINC000998704013 634383137 /nfs/dbraw/zinc/38/31/37/634383137.db2.gz DUPKBOYAYXDKIY-IYXRBSQSSA-N 0 3 300.830 2.135 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCCOC1 ZINC000819745954 607173564 /nfs/dbraw/zinc/17/35/64/607173564.db2.gz WNIRRCBDVNCSCG-OAHLLOKOSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCCOC1 ZINC000819745954 607173565 /nfs/dbraw/zinc/17/35/65/607173565.db2.gz WNIRRCBDVNCSCG-OAHLLOKOSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCCOC1 ZINC000819745954 607173566 /nfs/dbraw/zinc/17/35/66/607173566.db2.gz WNIRRCBDVNCSCG-OAHLLOKOSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCCOC1 ZINC000819745954 607173567 /nfs/dbraw/zinc/17/35/67/607173567.db2.gz WNIRRCBDVNCSCG-OAHLLOKOSA-N 0 3 313.405 2.281 20 30 DEEDHN C[C@H]([NH2+]CCCSCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824592266 608492578 /nfs/dbraw/zinc/49/25/78/608492578.db2.gz LAWIBSLZQYKEGH-NSHDSACASA-N 0 3 302.407 2.164 20 30 DEEDHN C[C@H]([NH2+]CCCSCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824592266 608492581 /nfs/dbraw/zinc/49/25/81/608492581.db2.gz LAWIBSLZQYKEGH-NSHDSACASA-N 0 3 302.407 2.164 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC001381321983 1153004646 /nfs/dbraw/zinc/00/46/46/1153004646.db2.gz KOVYOQBSGLFZLP-RUXDESIVSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001381955281 1153287682 /nfs/dbraw/zinc/28/76/82/1153287682.db2.gz CBKXQBXMKZJUIS-UBHSHLNASA-N 0 3 300.830 2.038 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccnc2C2CC2)C1 ZINC001023464100 625283006 /nfs/dbraw/zinc/28/30/06/625283006.db2.gz CGKZNOJJCGRJLN-HNNXBMFYSA-N 0 3 311.429 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1coc(C)n1 ZINC001025223363 625284186 /nfs/dbraw/zinc/28/41/86/625284186.db2.gz CIXKRSOJTRDGAF-SJORKVTESA-N 0 3 315.417 2.465 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001023482652 625290542 /nfs/dbraw/zinc/29/05/42/625290542.db2.gz HZXAZLURMQRGBD-GFCCVEGCSA-N 0 3 307.344 2.094 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001025273550 625321184 /nfs/dbraw/zinc/32/11/84/625321184.db2.gz QFDHGZRODHOKGF-JKSUJKDBSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(C(C)C)cn2)C[C@H]1C ZINC000947567607 625321430 /nfs/dbraw/zinc/32/14/30/625321430.db2.gz FOECSSKEUCTFRR-CABCVRRESA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cccc1 ZINC001025279528 625323075 /nfs/dbraw/zinc/32/30/75/625323075.db2.gz CZPIZEGJUYUXKR-ZWKOTPCHSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(F)c(COC)c2)C1 ZINC001023578864 625332121 /nfs/dbraw/zinc/33/21/21/625332121.db2.gz BOBVSPFFZBZQJC-AWEZNQCLSA-N 0 3 318.392 2.047 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCCN(CC#CC)C2)cc1 ZINC001023634736 625365888 /nfs/dbraw/zinc/36/58/88/625365888.db2.gz PVTDMJDGVYBHGY-QGZVFWFLSA-N 0 3 324.424 2.164 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001023651601 625373983 /nfs/dbraw/zinc/37/39/83/625373983.db2.gz XGHWFXNILBLTKI-NVXWUHKLSA-N 0 3 312.413 2.014 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc3nccnc32)C1 ZINC001023672182 625382117 /nfs/dbraw/zinc/38/21/17/625382117.db2.gz WTYOOVIGOFMOKP-OAHLLOKOSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnn(CCC)c2C)C1 ZINC001023671033 625382151 /nfs/dbraw/zinc/38/21/51/625382151.db2.gz BDUGJUSAFLHOBV-MRXNPFEDSA-N 0 3 316.449 2.067 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ncoc2CC)C1 ZINC001025370822 625386445 /nfs/dbraw/zinc/38/64/45/625386445.db2.gz ANPBHCWZZJMXST-KBPBESRZSA-N 0 3 303.406 2.091 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2csc(Cl)n2)C1 ZINC001023687887 625387654 /nfs/dbraw/zinc/38/76/54/625387654.db2.gz OTFNZLIMHOBQAG-NSHDSACASA-N 0 3 311.838 2.262 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C)cc2OC)C1 ZINC001023708406 625396079 /nfs/dbraw/zinc/39/60/79/625396079.db2.gz 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/nfs/dbraw/zinc/69/61/91/633696191.db2.gz VUQDSQSNGCQBEE-OAHLLOKOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ncsc2C2CC2)CC1 ZINC000997299717 633700341 /nfs/dbraw/zinc/70/03/41/633700341.db2.gz CBDCJASHNCICDG-GFCCVEGCSA-N 0 3 317.458 2.484 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@@H]2CCCN2C)CC1 ZINC000997508517 633817498 /nfs/dbraw/zinc/81/74/98/633817498.db2.gz KIPWFDFJEBJUCB-ZFWWWQNUSA-N 0 3 313.873 2.050 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001027470845 633848645 /nfs/dbraw/zinc/84/86/45/633848645.db2.gz QEAWAJQPVZVDGC-CZUORRHYSA-N 0 3 316.449 2.076 20 30 DEEDHN C#CCSCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000888370683 633859328 /nfs/dbraw/zinc/85/93/28/633859328.db2.gz PTHGUFWDTNPJGX-GDBMZVCRSA-N 0 3 302.443 2.305 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)n(CC)c2C)C1 ZINC001027481187 633864851 /nfs/dbraw/zinc/86/48/51/633864851.db2.gz ILYNSHUSKANGDD-INIZCTEOSA-N 0 3 301.434 2.294 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)cc(C)cc2F)C1 ZINC001027485544 633871923 /nfs/dbraw/zinc/87/19/23/633871923.db2.gz CPFMFUWBEAIHED-CYBMUJFWSA-N 0 3 306.356 2.443 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ncc(F)cc2F)CC1 ZINC000997643249 633907674 /nfs/dbraw/zinc/90/76/74/633907674.db2.gz KYJBBPYVOWYZIT-LBPRGKRZSA-N 0 3 321.371 2.213 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccncc2OC(C)C)C1 ZINC001027506752 633931000 /nfs/dbraw/zinc/93/10/00/633931000.db2.gz AXHDXUFOGHYJOI-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(F)c2F)CC1 ZINC000997727939 633951011 /nfs/dbraw/zinc/95/10/11/633951011.db2.gz CQVCLMDBNKJJPV-LBPRGKRZSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(COC)cc2)CC1 ZINC000997857393 634014063 /nfs/dbraw/zinc/01/40/63/634014063.db2.gz GPUVWMNOISRORS-HNNXBMFYSA-N 0 3 314.429 2.297 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)cn1 ZINC000977519296 634015059 /nfs/dbraw/zinc/01/50/59/634015059.db2.gz XYNUQYNSWOQYQZ-KRWDZBQOSA-N 0 3 311.429 2.469 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977510296 634021216 /nfs/dbraw/zinc/02/12/16/634021216.db2.gz CLCCXKLLCKFFEJ-NVXWUHKLSA-N 0 3 313.445 2.199 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3nccnc3c2)C(C)(C)C1 ZINC000977576777 634045677 /nfs/dbraw/zinc/04/56/77/634045677.db2.gz OCZSLJCPPBHPPT-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2c(C)noc2C)CC1 ZINC000997913181 634050177 /nfs/dbraw/zinc/05/01/77/634050177.db2.gz HJNVPJRJFXFURS-OAHLLOKOSA-N 0 3 303.406 2.241 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2scnc2C)CC1 ZINC000997928736 634066562 /nfs/dbraw/zinc/06/65/62/634066562.db2.gz QDQNEPVCNQHBLA-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)n[nH]2)CC1 ZINC000997945261 634071915 /nfs/dbraw/zinc/07/19/15/634071915.db2.gz UZLSVKOVRAKRFC-HNNXBMFYSA-N 0 3 302.422 2.058 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCOC2)CC1 ZINC000997953483 634076749 /nfs/dbraw/zinc/07/67/49/634076749.db2.gz HCLAMJBZROLSCT-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)ncn2)CC1 ZINC000997978389 634089029 /nfs/dbraw/zinc/08/90/29/634089029.db2.gz ULQHHSRZUZCHGY-INIZCTEOSA-N 0 3 314.433 2.125 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2N(C)C)C(C)(C)C1 ZINC000977667875 634093702 /nfs/dbraw/zinc/09/37/02/634093702.db2.gz PIVIVKPEDXTREL-QGZVFWFLSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1 ZINC001027553106 634106415 /nfs/dbraw/zinc/10/64/15/634106415.db2.gz OVFGZUQSTOVRDK-LBPRGKRZSA-N 0 3 310.319 2.274 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998040719 634119251 /nfs/dbraw/zinc/11/92/51/634119251.db2.gz ALWBDBQTLUCNPJ-GOSISDBHSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccnc(OC)c2)CC1 ZINC000998050306 634124946 /nfs/dbraw/zinc/12/49/46/634124946.db2.gz GUHWINQYJPINOO-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ncc3ccccn32)CC1 ZINC000998064790 634130912 /nfs/dbraw/zinc/13/09/12/634130912.db2.gz UIDQGDXRRKQRMG-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2nc(C)oc2C)CC1 ZINC000998160907 634157013 /nfs/dbraw/zinc/15/70/13/634157013.db2.gz PCWDRQBZCCTTTC-OAHLLOKOSA-N 0 3 303.406 2.241 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccccn2)CC[C@@H]1C(F)(F)F ZINC000998242563 634183568 /nfs/dbraw/zinc/18/35/68/634183568.db2.gz YBHNXZIFMPPRKU-WCQYABFASA-N 0 3 313.323 2.250 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccon2)CC[C@H]1C(F)(F)F ZINC000998242290 634183825 /nfs/dbraw/zinc/18/38/25/634183825.db2.gz FEIGTMSVKSQEHJ-ZYHUDNBSSA-N 0 3 317.311 2.233 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccns2)CC[C@@H]1C(F)(F)F ZINC000998272773 634195881 /nfs/dbraw/zinc/19/58/81/634195881.db2.gz ZNJXBMMPQZBUQM-UWVGGRQHSA-N 0 3 319.352 2.312 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027581632 634200332 /nfs/dbraw/zinc/20/03/32/634200332.db2.gz GNUZNFFNBSNAAS-KGLIPLIRSA-N 0 3 301.862 2.002 20 30 DEEDHN CCC(=O)N(C)C1CC(NCc2cc(C#N)ccc2OC)C1 ZINC000998319732 634211032 /nfs/dbraw/zinc/21/10/32/634211032.db2.gz FXEGXXWSOCAKQN-UHFFFAOYSA-N 0 3 301.390 2.056 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2oc(CC(C)C)nc2C)C1 ZINC001027607867 634273854 /nfs/dbraw/zinc/27/38/54/634273854.db2.gz IDNBLDAUEJGDLS-HNNXBMFYSA-N 0 3 317.433 2.351 20 30 DEEDHN COc1ccc(C#N)cc1CNC1CC(N(C)C(=O)C(C)C)C1 ZINC000998471222 634283779 /nfs/dbraw/zinc/28/37/79/634283779.db2.gz KJBHODAKXPGHAH-UHFFFAOYSA-N 0 3 315.417 2.302 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cccc4)c3)[C@@H]2C1 ZINC000978460730 634320437 /nfs/dbraw/zinc/32/04/37/634320437.db2.gz ZLXLFOGFWUQFJT-LDLYASANSA-N 0 3 319.408 2.018 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998592891 634342575 /nfs/dbraw/zinc/34/25/75/634342575.db2.gz RLMLQDGBOKAYQU-NEPJUHHUSA-N 0 3 323.487 2.452 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(F)cc3C)[C@@H]2C1 ZINC000978594743 634368652 /nfs/dbraw/zinc/36/86/52/634368652.db2.gz JBNPNVURKURIPZ-OSYLJGHBSA-N 0 3 314.404 2.373 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000980158067 634875025 /nfs/dbraw/zinc/87/50/25/634875025.db2.gz QRJASNANQQNMJK-CYBMUJFWSA-N 0 3 304.390 2.036 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cccnn3)C[C@@H]2C1 ZINC000980205708 634893639 /nfs/dbraw/zinc/89/36/39/634893639.db2.gz QRYHFJGISKABTQ-BFHYXJOUSA-N 0 3 320.824 2.059 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001027921523 634969043 /nfs/dbraw/zinc/96/90/43/634969043.db2.gz RANSGRRALIWAFM-MRXNPFEDSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2cc(C)cc(C)c2)C1 ZINC000980378550 634976968 /nfs/dbraw/zinc/97/69/68/634976968.db2.gz YNSVLNSVNATZLS-MRXNPFEDSA-N 0 3 302.418 2.401 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccc(C)c(C)c2)C1 ZINC000980381537 634977739 /nfs/dbraw/zinc/97/77/39/634977739.db2.gz FKTBPHJSXSAKGP-INIZCTEOSA-N 0 3 302.418 2.401 20 30 DEEDHN Cc1nc(CNC[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)cs1 ZINC000980567402 635046131 /nfs/dbraw/zinc/04/61/31/635046131.db2.gz NIOWMLSHWMKTCF-IUODEOHRSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC000980567823 635050866 /nfs/dbraw/zinc/05/08/66/635050866.db2.gz XGYAYGKAVYKQQA-CQSZACIVSA-N 0 3 319.380 2.116 20 30 DEEDHN C[C@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)c1cnco1 ZINC000980662618 635081596 /nfs/dbraw/zinc/08/15/96/635081596.db2.gz HZCMEPOQIRZNOO-KBPBESRZSA-N 0 3 324.384 2.187 20 30 DEEDHN C[C@H]1C[C@H](CNCc2ccccc2C#N)CN1C(=O)c1cnco1 ZINC000980662620 635081624 /nfs/dbraw/zinc/08/16/24/635081624.db2.gz HZCMEPOQIRZNOO-UONOGXRCSA-N 0 3 324.384 2.187 20 30 DEEDHN C#CCN(C(=O)N[C@H](C)c1cnccc1C)C1CCN(C)CC1 ZINC000921758023 635144652 /nfs/dbraw/zinc/14/46/52/635144652.db2.gz JAFFNFRFQIOACX-OAHLLOKOSA-N 0 3 314.433 2.190 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc([C@@H](C)OC)s2)CC1 ZINC001000684270 635275438 /nfs/dbraw/zinc/27/54/38/635275438.db2.gz AHVRIUVHJMKTHO-GFCCVEGCSA-N 0 3 321.446 2.398 20 30 DEEDHN C=C(Cl)CN1CC=C(CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC001000890958 635331741 /nfs/dbraw/zinc/33/17/41/635331741.db2.gz NTBIUECUKATHRJ-UHFFFAOYSA-N 0 3 320.824 2.013 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2onc3c2CCCC3)CC1 ZINC001000945627 635345372 /nfs/dbraw/zinc/34/53/72/635345372.db2.gz DEZIKJUZKKCFQK-UHFFFAOYSA-N 0 3 301.390 2.101 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000981196822 635357339 /nfs/dbraw/zinc/35/73/39/635357339.db2.gz YZYSOSFQJJOXQQ-UHFFFAOYSA-N 0 3 304.438 2.431 20 30 DEEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001028050716 635370430 /nfs/dbraw/zinc/37/04/30/635370430.db2.gz XVTWJKPLSYHRHC-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2nc(C)n(C)c2c1 ZINC001028070663 635405857 /nfs/dbraw/zinc/40/58/57/635405857.db2.gz IFMSTKWNWNBCCR-HNNXBMFYSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(CC)ncnc2CC)CC1 ZINC001001157922 635413990 /nfs/dbraw/zinc/41/39/90/635413990.db2.gz XZOZRZAQVWDYDF-UHFFFAOYSA-N 0 3 314.433 2.149 20 30 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20 30 DEEDHN C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757656002 639865081 /nfs/dbraw/zinc/86/50/81/639865081.db2.gz MCTAKCUBSWJGTE-ZYHUDNBSSA-N 0 3 313.394 2.270 20 30 DEEDHN COC[C@](C)(CC(=O)OC)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000757922228 639896243 /nfs/dbraw/zinc/89/62/43/639896243.db2.gz ABMJDGNBQUBCKN-DYVFJYSZSA-N 0 3 320.389 2.035 20 30 DEEDHN CC(C)Oc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)ccn1 ZINC000759819375 640123259 /nfs/dbraw/zinc/12/32/59/640123259.db2.gz JSDLCWLEMYSFPC-CYBMUJFWSA-N 0 3 324.340 2.225 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000760448887 640194843 /nfs/dbraw/zinc/19/48/43/640194843.db2.gz BOLDXALYALOROS-ZWNOBZJWSA-N 0 3 302.296 2.380 20 30 DEEDHN N#Cc1cccc(N2CCN(CCCCCCCO)CC2)n1 ZINC000760913911 640242728 /nfs/dbraw/zinc/24/27/28/640242728.db2.gz ZWJOZZSDHCSSRN-UHFFFAOYSA-N 0 3 302.422 2.018 20 30 DEEDHN CCCC(=O)N1C[C@@H](NCc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000987784031 640279551 /nfs/dbraw/zinc/27/95/51/640279551.db2.gz UOHSZIFLSOLNFF-CJNGLKHVSA-N 0 3 315.417 2.446 20 30 DEEDHN CCN(CC)c1ccnc(N=NC2CN(C(C)C)C[C@@H]2C)n1 ZINC000762616958 640444571 /nfs/dbraw/zinc/44/45/71/640444571.db2.gz KDPZTKGTWKVNQJ-ZDUSSCGKSA-N 0 3 304.442 2.451 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccsc2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988631946 640556375 /nfs/dbraw/zinc/55/63/75/640556375.db2.gz IZGBJOMCXJIUCU-NHYWBVRUSA-N 0 3 314.414 2.341 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccn(C3CCCCC3)n2)C1 ZINC000988839640 640673004 /nfs/dbraw/zinc/67/30/04/640673004.db2.gz UQRJYRBOBBYVAS-GJZGRUSLSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(OCCC)c2)C1 ZINC000988912157 640686839 /nfs/dbraw/zinc/68/68/39/640686839.db2.gz LMHSGXHGVUIERI-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC000988917311 640688766 /nfs/dbraw/zinc/68/87/66/640688766.db2.gz QAKGCYCRLVMGGS-GOEBONIOSA-N 0 3 310.397 2.496 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3ccncc3)o2)C1 ZINC000988958214 640696794 /nfs/dbraw/zinc/69/67/94/640696794.db2.gz HXAANTFZATUXOT-HIFRSBDPSA-N 0 3 309.369 2.167 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@H](NCc2cccnc2)C[C@H]1C ZINC000988967133 640698756 /nfs/dbraw/zinc/69/87/56/640698756.db2.gz OCFDSKUZCVXBAS-NVXWUHKLSA-N 0 3 324.428 2.462 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC000988969511 640699922 /nfs/dbraw/zinc/69/99/22/640699922.db2.gz WZFKRJDMCPLXKG-JSGCOSHPSA-N 0 3 313.376 2.143 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000989124504 640728362 /nfs/dbraw/zinc/72/83/62/640728362.db2.gz KZGFYCKEGGQIJJ-NVXWUHKLSA-N 0 3 307.397 2.303 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c3cccnc23)C1 ZINC000989220932 640756924 /nfs/dbraw/zinc/75/69/24/640756924.db2.gz UMKMMUKRLNKETM-HUUCEWRRSA-N 0 3 307.397 2.369 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)c1cnco1 ZINC000989260640 640770154 /nfs/dbraw/zinc/77/01/54/640770154.db2.gz PUKRPEXYZIEPCI-QWRGUYRKSA-N 0 3 316.386 2.001 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCn1cccn1 ZINC000729886435 640850965 /nfs/dbraw/zinc/85/09/65/640850965.db2.gz GVMZHERMOUZWJR-CYBMUJFWSA-N 0 3 307.357 2.426 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897931614 640970337 /nfs/dbraw/zinc/97/03/37/640970337.db2.gz WXTQGNQIBSMAQZ-WBVHZDCISA-N 0 3 320.433 2.178 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)COc2cccc(C#N)c2)C1 ZINC000768120367 641052263 /nfs/dbraw/zinc/05/22/63/641052263.db2.gz JOPMTASPANCDNV-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(OCC)c2)C1 ZINC000989511868 641132525 /nfs/dbraw/zinc/13/25/25/641132525.db2.gz UTZQVFLSAPJQTE-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000989588730 641157617 /nfs/dbraw/zinc/15/76/17/641157617.db2.gz IRMOJBVSAIHFSJ-UHFFFAOYSA-N 0 3 304.821 2.440 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)COc2c(C)cc(C)cc2C)C1 ZINC000989752410 641222199 /nfs/dbraw/zinc/22/21/99/641222199.db2.gz MKBPNPVAXJFJBW-SJORKVTESA-N 0 3 314.429 2.203 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000989752352 641222567 /nfs/dbraw/zinc/22/25/67/641222567.db2.gz LQGAEWMATPSDEQ-JSGCOSHPSA-N 0 3 302.443 2.453 20 30 DEEDHN C=CCN1CCCN(C(=O)c2ccc(CN(CC)CC)o2)CC1 ZINC000989775182 641225015 /nfs/dbraw/zinc/22/50/15/641225015.db2.gz PDMQANHLFGLCEP-UHFFFAOYSA-N 0 3 319.449 2.455 20 30 DEEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ncc(C#N)cn1 ZINC000842088029 650646080 /nfs/dbraw/zinc/64/60/80/650646080.db2.gz IRGLYSNVCRWBGV-UHFFFAOYSA-N 0 3 302.378 2.044 20 30 DEEDHN C=CCCN1CC[C@]2(NC(=O)c3snnc3C)CCC[C@@H]12 ZINC000989944447 641300639 /nfs/dbraw/zinc/30/06/39/641300639.db2.gz CCKVQTQZBZUQRB-IUODEOHRSA-N 0 3 306.435 2.149 20 30 DEEDHN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cc(C#N)cs2)cn1 ZINC000770385768 641363116 /nfs/dbraw/zinc/36/31/16/641363116.db2.gz KUNJVTVZOZNDQG-ZBFHGGJFSA-N 0 3 316.430 2.441 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000842150816 650660798 /nfs/dbraw/zinc/66/07/98/650660798.db2.gz KFCFNXACLVLOSU-MSOLQXFVSA-N 0 3 314.360 2.396 20 30 DEEDHN Cc1nc(CNC2CCN(C(=O)[C@H](C)C#N)CC2)c(C)s1 ZINC000990262659 641420087 /nfs/dbraw/zinc/42/00/87/641420087.db2.gz UCXSCJWDLPXYFC-SNVBAGLBSA-N 0 3 306.435 2.000 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)COc2ccccc2)CC1 ZINC000730120054 641476916 /nfs/dbraw/zinc/47/69/16/641476916.db2.gz ZEOYQMGTIIZZAI-HNNXBMFYSA-N 0 3 317.433 2.404 20 30 DEEDHN C=CCCC[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccccc1 ZINC000927024104 641581525 /nfs/dbraw/zinc/58/15/25/641581525.db2.gz FUOPFBYEYGZWAM-CVEARBPZSA-N 0 3 311.447 2.079 20 30 DEEDHN C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924718372 641626196 /nfs/dbraw/zinc/62/61/96/641626196.db2.gz ZFMYSXMXQGHREY-GJZGRUSLSA-N 0 3 301.390 2.176 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2ccc(C)o2)c1 ZINC000775227411 642017578 /nfs/dbraw/zinc/01/75/78/642017578.db2.gz PENNGHAIZLFVOW-HNNXBMFYSA-N 0 3 312.325 2.487 20 30 DEEDHN CCO[C@H](CC)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000842342565 650714294 /nfs/dbraw/zinc/71/42/94/650714294.db2.gz MFEZOCGLMSOJDS-SMDDNHRTSA-N 0 3 324.327 2.105 20 30 DEEDHN CN(C)c1ccncc1C=NNC(=S)NC1CCCCC1 ZINC000776182771 642140865 /nfs/dbraw/zinc/14/08/65/642140865.db2.gz FHEFCWDAYILOKY-UHFFFAOYSA-N 0 3 305.451 2.278 20 30 DEEDHN C=C(C)CNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725091 642150862 /nfs/dbraw/zinc/15/08/62/642150862.db2.gz SGJVXJCRRODPNY-MRXNPFEDSA-N 0 3 320.506 2.396 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCO[C@@H](C)C2)c1 ZINC000776519281 642180277 /nfs/dbraw/zinc/18/02/77/642180277.db2.gz ZTTNQDFZZWRLEY-SLEUVZQESA-N 0 3 316.357 2.158 20 30 DEEDHN O=C(NCCNCc1cc(F)cc(Cl)c1)C1N=CC=CC1=O ZINC000776799117 642209591 /nfs/dbraw/zinc/20/95/91/642209591.db2.gz GCXAMIRXHMNGAG-PFONDFGASA-N 0 3 323.755 2.095 20 30 DEEDHN CCOC(=O)c1cnc(N=NC2CN(C(C)C)C[C@@H]2C)nc1C ZINC000777892205 642319387 /nfs/dbraw/zinc/31/93/87/642319387.db2.gz HBTBNNFPJSXMIG-NSHDSACASA-N 0 3 319.409 2.090 20 30 DEEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000778169409 642346868 /nfs/dbraw/zinc/34/68/68/642346868.db2.gz QNFRZYLQRMOHNM-CHWSQXEVSA-N 0 3 320.820 2.486 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@@]1(CCO)CCOC1 ZINC000778173449 642347876 /nfs/dbraw/zinc/34/78/76/642347876.db2.gz KJZVCLWTFDWIKZ-QGZVFWFLSA-N 0 3 323.820 2.231 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000900530989 642401470 /nfs/dbraw/zinc/40/14/70/642401470.db2.gz UYWWVFPYAMIOTC-OFAQMXQXSA-N 0 3 300.402 2.287 20 30 DEEDHN CC1(C)C[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C(C)(C)O1 ZINC000901624775 642732214 /nfs/dbraw/zinc/73/22/14/642732214.db2.gz QCCXIQWFVZRJPZ-HUUCEWRRSA-N 0 3 315.417 2.268 20 30 DEEDHN C#CC[N@H+](Cc1c([O-])ccc2ccncc21)C1CCN(C)CC1 ZINC000902538713 643059349 /nfs/dbraw/zinc/05/93/49/643059349.db2.gz VEJGHIYYXIRBSL-UHFFFAOYSA-N 0 3 309.413 2.470 20 30 DEEDHN C#CC[N@@H+](Cc1c([O-])ccc2ccncc21)C1CCN(C)CC1 ZINC000902538713 643059352 /nfs/dbraw/zinc/05/93/52/643059352.db2.gz VEJGHIYYXIRBSL-UHFFFAOYSA-N 0 3 309.413 2.470 20 30 DEEDHN N#CCCCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785714566 643267478 /nfs/dbraw/zinc/26/74/78/643267478.db2.gz ZCBWVFOZULILOP-UHFFFAOYSA-N 0 3 316.401 2.351 20 30 DEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786516511 643377800 /nfs/dbraw/zinc/37/78/00/643377800.db2.gz CZOOGXNKCASXCQ-CYBMUJFWSA-N 0 3 322.792 2.480 20 30 DEEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)O1 ZINC000786550904 643383617 /nfs/dbraw/zinc/38/36/17/643383617.db2.gz RRBQWKOKLJHFPU-OAGGEKHMSA-N 0 3 314.385 2.278 20 30 DEEDHN COCOc1ccc(C#N)cc1-c1cnc([C@H]2CCCN2)nc1 ZINC000904886214 643744560 /nfs/dbraw/zinc/74/45/60/643744560.db2.gz ZZRXPWTVMXCMRD-OAHLLOKOSA-N 0 3 310.357 2.422 20 30 DEEDHN CC1/C(=C/c2ccc3c(c2)CCC(=O)N3C)C(=O)c2ncnn21 ZINC000905085909 643779802 /nfs/dbraw/zinc/77/98/02/643779802.db2.gz QDMOFHHYJFKZMH-GARZTLJTSA-N 0 3 308.341 2.028 20 30 DEEDHN Cc1ccc(-c2nn(C)cc2/C=C2\C(=O)c3ncnn3C2C)o1 ZINC000905086694 643780309 /nfs/dbraw/zinc/78/03/09/643780309.db2.gz SSWFDCBBXNYULF-GWHHBTOMSA-N 0 3 309.329 2.421 20 30 DEEDHN CC1/C(=C\c2ccc(N3CCC(O)CC3)cc2)C(=O)c2ncnn21 ZINC000905086957 643780638 /nfs/dbraw/zinc/78/06/38/643780638.db2.gz UWQMBCNCOCBBDY-HMHNVIDESA-N 0 3 324.384 2.080 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)CC2(O)CCCCC2)cc1F ZINC000905279522 643855316 /nfs/dbraw/zinc/85/53/16/643855316.db2.gz JZPXVBSOCRGDDZ-HNNXBMFYSA-N 0 3 306.381 2.233 20 30 DEEDHN COC(=O)Cc1ccc(N=NC2C[C@H]3CCCN(C2)C3)cc1 ZINC000905484408 643918961 /nfs/dbraw/zinc/91/89/61/643918961.db2.gz POHGBPCRKPDCSE-CQSZACIVSA-N 0 3 301.390 2.286 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1 ZINC000906999180 644413833 /nfs/dbraw/zinc/41/38/33/644413833.db2.gz VFQGPADJKXMBNF-INIZCTEOSA-N 0 3 320.458 2.163 20 30 DEEDHN C=CCNC(=S)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000795001151 644506836 /nfs/dbraw/zinc/50/68/36/644506836.db2.gz UGRHGIRCMDCEME-UHFFFAOYSA-N 0 3 321.412 2.442 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796491526 644744081 /nfs/dbraw/zinc/74/40/81/644744081.db2.gz HVMPSOKRTQZHJJ-STQMWFEESA-N 0 3 322.430 2.033 20 30 DEEDHN C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(OCC#N)cc1 ZINC000797071333 644833739 /nfs/dbraw/zinc/83/37/39/644833739.db2.gz RKJJDFTYBZJHHZ-STQMWFEESA-N 0 3 322.430 2.205 20 30 DEEDHN CN(CC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(=O)C1CC1 ZINC000797573223 644896778 /nfs/dbraw/zinc/89/67/78/644896778.db2.gz PEXGWVHVKSFSBR-LLVKDONJSA-N 0 3 319.430 2.485 20 30 DEEDHN N#CC1(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000797605319 644901226 /nfs/dbraw/zinc/90/12/26/644901226.db2.gz NFMNBEJQYNGKRZ-UHFFFAOYSA-N 0 3 300.362 2.457 20 30 DEEDHN C[C@]1(CNCc2cnc3c(C#N)cnn3c2)CC1(Cl)Cl ZINC000843411097 650968947 /nfs/dbraw/zinc/96/89/47/650968947.db2.gz JCTBBOXEUWRESM-GFCCVEGCSA-N 0 3 310.188 2.274 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000843414813 650969986 /nfs/dbraw/zinc/96/99/86/650969986.db2.gz NOFFJZZANWGKFT-MRXNPFEDSA-N 0 3 308.385 2.175 20 30 DEEDHN CCN1CCCN(C(=O)c2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000910264332 645375459 /nfs/dbraw/zinc/37/54/59/645375459.db2.gz DMGNLMMTRXCHQN-ZDUSSCGKSA-N 0 3 301.390 2.123 20 30 DEEDHN C#CC[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000843678618 651012834 /nfs/dbraw/zinc/01/28/34/651012834.db2.gz NIPIQPMVTNOUNP-QGZVFWFLSA-N 0 3 318.461 2.283 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000801924615 645462886 /nfs/dbraw/zinc/46/28/86/645462886.db2.gz RQQCQEAGBLRBTR-HZPDHXFCSA-N 0 3 315.417 2.057 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000801930509 645464336 /nfs/dbraw/zinc/46/43/36/645464336.db2.gz CJYVHDAWJUUKLB-CQSZACIVSA-N 0 3 307.438 2.076 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000802044157 645476174 /nfs/dbraw/zinc/47/61/74/645476174.db2.gz HWUVSORRFQPKPK-ZJUUUORDSA-N 0 3 302.227 2.171 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000912024800 645907966 /nfs/dbraw/zinc/90/79/66/645907966.db2.gz YXHXJGVRAHBQEE-HNNXBMFYSA-N 0 3 317.433 2.384 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000912440736 646065957 /nfs/dbraw/zinc/06/59/57/646065957.db2.gz JTVVWKWFOQFAMB-CJNGLKHVSA-N 0 3 306.406 2.262 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)/C=C\C(=O)c2ccc(C)cc2)C1 ZINC000912683781 646136106 /nfs/dbraw/zinc/13/61/06/646136106.db2.gz NUEIKBYLDXLKQL-HLRDLLSLSA-N 0 3 300.402 2.334 20 30 DEEDHN C#Cc1ccc(CNCc2cccc(OCC(=O)NC)c2)cc1 ZINC000809608554 646245768 /nfs/dbraw/zinc/24/57/68/646245768.db2.gz WOEWUURNCHABCP-UHFFFAOYSA-N 0 3 308.381 2.083 20 30 DEEDHN C[C@@H](SCc1ccccc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000129522934 646346032 /nfs/dbraw/zinc/34/60/32/646346032.db2.gz FQCNGRITCFXBDA-RISCZKNCSA-N 0 3 302.399 2.296 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)C1(CCF)CC1 ZINC000810708594 646409663 /nfs/dbraw/zinc/40/96/63/646409663.db2.gz VKYDNDXXZOFGJO-LLVKDONJSA-N 0 3 324.302 2.430 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3n[nH]c4c3CCCC4)CCC[C@@H]12 ZINC000991561780 646498813 /nfs/dbraw/zinc/49/88/13/646498813.db2.gz APMKMLOKAVQHPH-QAPCUYQASA-N 0 3 314.433 2.201 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3coc(OCC)n3)CCC[C@H]12 ZINC000991590945 646525106 /nfs/dbraw/zinc/52/51/06/646525106.db2.gz FMDQLVWLFUBSJH-WMLDXEAASA-N 0 3 319.405 2.376 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(OCC)c2)C[C@@H]1C ZINC000947754886 646554356 /nfs/dbraw/zinc/55/43/56/646554356.db2.gz VWHDAANILBTCOV-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3cc(C)ccn23)C[C@H]1C ZINC000947334260 646615187 /nfs/dbraw/zinc/61/51/87/646615187.db2.gz JOXZQUSPTUYUIA-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3oc2=O)C[C@@H]1C ZINC000947988725 646629118 /nfs/dbraw/zinc/62/91/18/646629118.db2.gz CTDHNLANHKSXSL-ZFWWWQNUSA-N 0 3 324.380 2.009 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3oc2=O)C[C@H]1C ZINC000947988723 646629169 /nfs/dbraw/zinc/62/91/69/646629169.db2.gz CTDHNLANHKSXSL-HIFRSBDPSA-N 0 3 324.380 2.009 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cn(C(C)C)cn3)CCC[C@H]12 ZINC000992016167 646828627 /nfs/dbraw/zinc/82/86/27/646828627.db2.gz 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/nfs/dbraw/zinc/98/28/93/646982893.db2.gz CYQAUNIIZHYDOF-NWDGAFQWSA-N 0 3 315.398 2.193 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)c3cccnc3)CCC[C@@H]12 ZINC000992434677 646999894 /nfs/dbraw/zinc/99/98/94/646999894.db2.gz SBVMQPWDCLBDFS-KVSKMBFKSA-N 0 3 311.429 2.322 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000815541811 647029496 /nfs/dbraw/zinc/02/94/96/647029496.db2.gz OLSNODRUAWCASY-INIZCTEOSA-N 0 3 320.396 2.395 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ncc4n3CCCC4)CCC[C@H]12 ZINC000992496120 647070003 /nfs/dbraw/zinc/07/00/03/647070003.db2.gz MRKHPOVRLQRAHE-MAUKXSAKSA-N 0 3 314.433 2.132 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3COc4ccccc43)CCC[C@H]12 ZINC000992523323 647087782 /nfs/dbraw/zinc/08/77/82/647087782.db2.gz QNAAYCIRJBKNRM-IMFGXOCKSA-N 0 3 324.424 2.299 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)n3nc(C)cc3C)CCC[C@@H]12 ZINC000992544708 647102297 /nfs/dbraw/zinc/10/22/97/647102297.db2.gz FXXXZHNFAZFAJN-LZLYRXPVSA-N 0 3 316.449 2.360 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817288489 647259375 /nfs/dbraw/zinc/25/93/75/647259375.db2.gz XPZIPKLSFBWGRX-CQSZACIVSA-N 0 3 310.438 2.399 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817288483 647259537 /nfs/dbraw/zinc/25/95/37/647259537.db2.gz XPZIPKLSFBWGRX-AWEZNQCLSA-N 0 3 310.438 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1cccc(Cl)c1C ZINC000818584110 647482936 /nfs/dbraw/zinc/48/29/36/647482936.db2.gz FOGSNGMOUWFIOR-UHFFFAOYSA-N 0 3 308.809 2.099 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COCC2CC2)cc1 ZINC000193449858 647505681 /nfs/dbraw/zinc/50/56/81/647505681.db2.gz DSDAEFKEELQDJG-HNNXBMFYSA-N 0 3 300.358 2.323 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccnn2C(C)C)[C@@H]1C ZINC000993378037 647637414 /nfs/dbraw/zinc/63/74/14/647637414.db2.gz OTRVKEYGMOPFEH-GJZGRUSLSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(C)sc2C)[C@H]1C ZINC000993472589 647674901 /nfs/dbraw/zinc/67/49/01/647674901.db2.gz BEZHSBIUKOZKOJ-BXUZGUMPSA-N 0 3 305.447 2.366 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@H]1C ZINC000993531928 647691338 /nfs/dbraw/zinc/69/13/38/647691338.db2.gz OVOBKEKDSMWIQL-ZBFHGGJFSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(OC)nc2)[C@@H]1C ZINC000993572918 647695036 /nfs/dbraw/zinc/69/50/36/647695036.db2.gz PESBUNJHRVQHAU-ZFWWWQNUSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn3ccc(C)cc3n2)[C@H]1C ZINC000993559907 647700237 /nfs/dbraw/zinc/70/02/37/647700237.db2.gz VYWNKXYUAJTJDJ-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nncc3ccccc32)[C@H]1C ZINC000993596013 647712063 /nfs/dbraw/zinc/71/20/63/647712063.db2.gz ZCIYQLWJQKEGQE-PBHICJAKSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H]1C ZINC000993639140 647712789 /nfs/dbraw/zinc/71/27/89/647712789.db2.gz CTRHSEIFMWRDIK-WBVHZDCISA-N 0 3 318.465 2.125 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H]1C ZINC000993628139 647719355 /nfs/dbraw/zinc/71/93/55/647719355.db2.gz YYSMMIGTSOQQPN-WMLDXEAASA-N 0 3 318.465 2.070 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@@H]1C ZINC000993656768 647726127 /nfs/dbraw/zinc/72/61/27/647726127.db2.gz PTJKDFFKBJBOFT-YOEHRIQHSA-N 0 3 314.429 2.319 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ncccc2F)[C@H]1C ZINC000993706520 647728256 /nfs/dbraw/zinc/72/82/56/647728256.db2.gz XAYURVJNAYCZMW-UKRRQHHQSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnnc3ccccc32)[C@H]1C ZINC000993867210 647761743 /nfs/dbraw/zinc/76/17/43/647761743.db2.gz XJMPWMMVNLTOLW-PBHICJAKSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2csc3cncn32)[C@@H]1C ZINC000993914810 647766436 /nfs/dbraw/zinc/76/64/36/647766436.db2.gz HXWZUEKQBXDEBW-QWHCGFSZSA-N 0 3 316.430 2.002 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)nn(CC)c2C)[C@@H]1C ZINC000994029661 647780190 /nfs/dbraw/zinc/78/01/90/647780190.db2.gz ZHTTVMHUMSLOTL-GOEBONIOSA-N 0 3 316.449 2.126 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@H]1C ZINC000994113599 647793659 /nfs/dbraw/zinc/79/36/59/647793659.db2.gz MGVLFFLJDYKIDX-CZUORRHYSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2csc(Cl)n2)[C@@H]1C ZINC000994169012 647799446 /nfs/dbraw/zinc/79/94/46/647799446.db2.gz RHERHYWWLMTPHP-QWRGUYRKSA-N 0 3 311.838 2.403 20 30 DEEDHN CN(C)CCn1nnnc1SCc1cc(Cl)cc(C#N)c1 ZINC000916674625 647899871 /nfs/dbraw/zinc/89/98/71/647899871.db2.gz JAAHWLKYJCZVNJ-UHFFFAOYSA-N 0 3 322.825 2.052 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccccc2F)[C@@H]1C ZINC000994329855 647911543 /nfs/dbraw/zinc/91/15/43/647911543.db2.gz QAAXAMDTLMFNQT-WMLDXEAASA-N 0 3 302.393 2.361 20 30 DEEDHN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916912680 647941545 /nfs/dbraw/zinc/94/15/45/647941545.db2.gz SHBMOYSKSIHLLB-OPQQBVKSSA-N 0 3 306.749 2.412 20 30 DEEDHN Cn1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000916907449 647941787 /nfs/dbraw/zinc/94/17/87/647941787.db2.gz AUNITGCRERUITL-JTQLQIEISA-N 0 3 302.721 2.035 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccnc2N(C)C)[C@H]1C ZINC000994417981 647944069 /nfs/dbraw/zinc/94/40/69/647944069.db2.gz UYUQWNOAUAMTJF-GDBMZVCRSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCC[C@@H](SC)C1)C1CCN(C)CC1 ZINC000919225528 648135773 /nfs/dbraw/zinc/13/57/73/648135773.db2.gz ISJLIVKMTROHGP-GOEBONIOSA-N 0 3 323.506 2.400 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(CCC)on2)C[C@H]1C ZINC000947871656 648346052 /nfs/dbraw/zinc/34/60/52/648346052.db2.gz ANFMINMUPJBWQI-ZIAGYGMSSA-N 0 3 303.406 2.233 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000823461293 648426020 /nfs/dbraw/zinc/42/60/20/648426020.db2.gz HIKBYHXKHITXQV-UHFFFAOYSA-N 0 3 317.433 2.132 20 30 DEEDHN CC(C)C#CC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000824976754 648680611 /nfs/dbraw/zinc/68/06/11/648680611.db2.gz QLWSPJRMDJBQIW-UHFFFAOYSA-N 0 3 313.445 2.206 20 30 DEEDHN C#C[C@H](N[C@H](C)COc1ccc(CCOC)cc1)[C@H]1CCCO1 ZINC000825549525 648779333 /nfs/dbraw/zinc/77/93/33/648779333.db2.gz PPAJQOBYUIVDFN-AYOQOUSVSA-N 0 3 317.429 2.413 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(C(C)C)no1 ZINC000069912338 648799136 /nfs/dbraw/zinc/79/91/36/648799136.db2.gz MCBJMEXZJRPQPI-GFCCVEGCSA-N 0 3 320.393 2.141 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc(C3CC3)n2)C(C)(C)C1 ZINC000941075961 648994202 /nfs/dbraw/zinc/99/42/02/648994202.db2.gz RMMNKKVXKWFZAM-OAHLLOKOSA-N 0 3 314.433 2.370 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000941063010 648995871 /nfs/dbraw/zinc/99/58/71/648995871.db2.gz AMHJGRQCNAPDRT-INIZCTEOSA-N 0 3 301.434 2.485 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C(C)(C)C1 ZINC000941154954 649009905 /nfs/dbraw/zinc/00/99/05/649009905.db2.gz MBZYRALBFLZQFM-AWEZNQCLSA-N 0 3 316.449 2.305 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2csc(C)n2)C(C)(C)C1 ZINC000941204718 649019353 /nfs/dbraw/zinc/01/93/53/649019353.db2.gz SIYZQQNQAVSCDY-OAHLLOKOSA-N 0 3 319.474 2.234 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)C(C)(C)C1 ZINC000941259614 649030877 /nfs/dbraw/zinc/03/08/77/649030877.db2.gz ZLUSQUNDXYWFKS-CVEARBPZSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C3(C)CC=CC3)CC2)C1 ZINC000941546722 649056387 /nfs/dbraw/zinc/05/63/87/649056387.db2.gz ANKSRABICZLUOC-UHFFFAOYSA-N 0 3 317.477 2.137 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@@H](C)C1 ZINC000942061047 649146904 /nfs/dbraw/zinc/14/69/04/649146904.db2.gz HYBNPWTWEZOFJF-UONOGXRCSA-N 0 3 316.449 2.171 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2conc2C(C)C)[C@@H](C)C1 ZINC000942122978 649161363 /nfs/dbraw/zinc/16/13/63/649161363.db2.gz QPQIGKMBIRGQIE-ZFWWWQNUSA-N 0 3 303.406 2.262 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)no2)[C@H](C)C1 ZINC000942158457 649171565 /nfs/dbraw/zinc/17/15/65/649171565.db2.gz ZXXSORHEIHMUAF-NXEZZACHSA-N 0 3 317.311 2.320 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(OC)c2C)[C@H](C)C1 ZINC000942284858 649196386 /nfs/dbraw/zinc/19/63/86/649196386.db2.gz AHBAJRNYLKZQMX-RHSMWYFYSA-N 0 3 314.429 2.385 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cnccc3o2)[C@H](C)C1 ZINC000942289047 649198317 /nfs/dbraw/zinc/19/83/17/649198317.db2.gz VABYDVRHNJYCQQ-UKRRQHHQSA-N 0 3 311.385 2.291 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H](C)C1 ZINC000942301283 649200618 /nfs/dbraw/zinc/20/06/18/649200618.db2.gz DOBCDXHFICISLF-PBHICJAKSA-N 0 3 311.429 2.423 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H](C)C1 ZINC000942314929 649202608 /nfs/dbraw/zinc/20/26/08/649202608.db2.gz RXNZIYPOVZQREW-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)n(CC)c2C)[C@H](C)C1 ZINC000942366455 649210905 /nfs/dbraw/zinc/21/09/05/649210905.db2.gz HPINFWVXPAWBAZ-DYVFJYSZSA-N 0 3 301.434 2.198 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nncc3ccccc32)[C@H](C)C1 ZINC000942444689 649220234 /nfs/dbraw/zinc/22/02/34/649220234.db2.gz PLXZKRYIWQKQCK-RHSMWYFYSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3ccc(C)cn23)[C@@H](C)C1 ZINC000942484668 649226894 /nfs/dbraw/zinc/22/68/94/649226894.db2.gz 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ZINC000942936504 649303419 /nfs/dbraw/zinc/30/34/19/649303419.db2.gz CPGJBGPODBITJO-CJNGLKHVSA-N 0 3 318.392 2.298 20 30 DEEDHN C[C@H](C(=O)N[C@H]1Cc2ccc(C#N)cc2C1)N1CCCCCC1 ZINC000829504153 649316976 /nfs/dbraw/zinc/31/69/76/649316976.db2.gz ILWMTNUNQACRJP-KDOFPFPSSA-N 0 3 311.429 2.406 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnnc3ccccc32)[C@H](C)C1 ZINC000943030397 649321187 /nfs/dbraw/zinc/32/11/87/649321187.db2.gz WVQWVBYWMKTXNE-CZUORRHYSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC000943230812 649352523 /nfs/dbraw/zinc/35/25/23/649352523.db2.gz HVHVELAXSPRPCH-PBHICJAKSA-N 0 3 314.404 2.317 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2ccc(COC)cc2)C1 ZINC000829789514 649356138 /nfs/dbraw/zinc/35/61/38/649356138.db2.gz XHSKJFPSNQYABQ-QGZVFWFLSA-N 0 3 314.429 2.185 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2coc(C3CC3)n2)[C@@H](C)C1 ZINC000943465814 649379257 /nfs/dbraw/zinc/37/92/57/649379257.db2.gz NMQHZCHJLCNKDQ-JSGCOSHPSA-N 0 3 301.390 2.016 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2snnc2C(C)C)[C@@H](C)C1 ZINC000943745591 649419099 /nfs/dbraw/zinc/41/90/99/649419099.db2.gz UTFVQBKWXCAHOY-NWDGAFQWSA-N 0 3 308.451 2.288 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H](C)C1 ZINC000944034907 649476012 /nfs/dbraw/zinc/47/60/12/649476012.db2.gz XNUIFFYWKIYFBX-MNOVXSKESA-N 0 3 311.838 2.260 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1C ZINC000947912350 649491140 /nfs/dbraw/zinc/49/11/40/649491140.db2.gz JTPKEUUJXYCNNC-UKRRQHHQSA-N 0 3 316.449 2.448 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C[C@H]1C ZINC000947912350 649491141 /nfs/dbraw/zinc/49/11/41/649491141.db2.gz JTPKEUUJXYCNNC-UKRRQHHQSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000944315810 649509812 /nfs/dbraw/zinc/50/98/12/649509812.db2.gz BRIHXGXLWVWXGL-BLLLJJGKSA-N 0 3 322.811 2.481 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2OC)[C@@H](C)C1 ZINC000944306884 649512741 /nfs/dbraw/zinc/51/27/41/649512741.db2.gz 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C#CCN(C)CCCNC(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000848142575 651440061 /nfs/dbraw/zinc/44/00/61/651440061.db2.gz JFMSVCCGXAKFPD-KRWDZBQOSA-N 0 3 314.429 2.186 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCCCOc1ccccc1F ZINC000848396009 651456025 /nfs/dbraw/zinc/45/60/25/651456025.db2.gz HMJKWDBTLKCIEF-CQSZACIVSA-N 0 3 307.369 2.122 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000848410703 651456945 /nfs/dbraw/zinc/45/69/45/651456945.db2.gz IUTVLFNPGWNROY-QGZVFWFLSA-N 0 3 314.433 2.314 20 30 DEEDHN COc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1C#N ZINC000850378794 651915386 /nfs/dbraw/zinc/91/53/86/651915386.db2.gz URQFEUOYDHHBDH-CABCVRRESA-N 0 3 308.328 2.471 20 30 DEEDHN CC(C)(C)OC(=O)C1(C(=O)C(C#N)c2ccncn2)CC=CC1 ZINC000850947202 652025923 /nfs/dbraw/zinc/02/59/23/652025923.db2.gz DYYBDHKFRSGMQP-LBPRGKRZSA-N 0 3 313.357 2.331 20 30 DEEDHN CO[C@H]1CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000851746676 652224936 /nfs/dbraw/zinc/22/49/36/652224936.db2.gz WDYVZZATNQMKMY-CABCVRRESA-N 0 3 303.381 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300.406 2.484 20 30 DEEDHN Cn1ncc2c1CC(C)(C)CN(C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000854058246 652636857 /nfs/dbraw/zinc/63/68/57/652636857.db2.gz HZBGPMOAQKELOI-SFHVURJKSA-N 0 3 324.428 2.410 20 30 DEEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000854068658 652637496 /nfs/dbraw/zinc/63/74/96/652637496.db2.gz DCLPORRVJVGHGP-MRXNPFEDSA-N 0 3 305.397 2.311 20 30 DEEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000854070215 652637984 /nfs/dbraw/zinc/63/79/84/652637984.db2.gz JXECWUYDVYDPRO-OAHLLOKOSA-N 0 3 305.397 2.311 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374870242 1158066125 /nfs/dbraw/zinc/06/61/25/1158066125.db2.gz QWGGFGMPXDYQEO-SMDDNHRTSA-N 0 3 309.435 2.029 20 30 DEEDHN COc1ccc([C@H](CNC(=O)NCCC#N)N2CCCC2)cc1 ZINC000354464552 685348659 /nfs/dbraw/zinc/34/86/59/685348659.db2.gz XTXYDMYPABMKJC-INIZCTEOSA-N 0 3 316.405 2.045 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000119470654 684082342 /nfs/dbraw/zinc/08/23/42/684082342.db2.gz YNESTDZYBQAYIW-OAHLLOKOSA-N 0 3 308.447 2.287 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000126086530 684151154 /nfs/dbraw/zinc/15/11/54/684151154.db2.gz GSLVEBDZELULJN-CQSZACIVSA-N 0 3 302.374 2.316 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccnc(Cl)c1 ZINC000126339339 684153421 /nfs/dbraw/zinc/15/34/21/684153421.db2.gz ZWPVUMABSOBGMH-SNVBAGLBSA-N 0 3 300.705 2.091 20 30 DEEDHN CC(C)(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)n[nH]1 ZINC000126343928 684153457 /nfs/dbraw/zinc/15/34/57/684153457.db2.gz DYTNLSVJRKAMBC-JTQLQIEISA-N 0 3 311.345 2.063 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1=COCCC1)C2 ZINC001054097376 693842988 /nfs/dbraw/zinc/84/29/88/693842988.db2.gz FKWJTQHQRXEHGR-GOSISDBHSA-N 0 3 302.418 2.019 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ncoc1CC)C2 ZINC001054106295 693846886 /nfs/dbraw/zinc/84/68/86/693846886.db2.gz MDLZZTNSHMFACP-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cn(C(C)C)cn1)C2 ZINC001054171017 693869231 /nfs/dbraw/zinc/86/92/31/693869231.db2.gz WVQPQRQXLOPTLW-SFHVURJKSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(OC)cs1)C2 ZINC001054173583 693869936 /nfs/dbraw/zinc/86/99/36/693869936.db2.gz CLQLQPLEGORFSP-KRWDZBQOSA-N 0 3 318.442 2.318 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC1CCOCC1)C2 ZINC001054209504 693883441 /nfs/dbraw/zinc/88/34/41/693883441.db2.gz RMNZFQFOGSLNSR-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN Cc1nc(CC(=O)C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000193408612 685040279 /nfs/dbraw/zinc/04/02/79/685040279.db2.gz DEBUTOHBJYWKJL-CQSZACIVSA-N 0 3 313.382 2.019 20 30 DEEDHN C#CCNC(=O)CCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859906218 685852148 /nfs/dbraw/zinc/85/21/48/685852148.db2.gz FBEBBAKTAHTMGM-UHFFFAOYSA-N 0 3 310.319 2.203 20 30 DEEDHN N#CC(C(=O)COCC(F)F)C(=O)Nc1ccccc1Cl ZINC000860469999 685930821 /nfs/dbraw/zinc/93/08/21/685930821.db2.gz MDCTVPXBFHKHIY-QMMMGPOBSA-N 0 3 316.691 2.269 20 30 DEEDHN CCOc1cccc(CCC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000860474093 685931342 /nfs/dbraw/zinc/93/13/42/685931342.db2.gz WFAZYVYKXWXLAJ-OAHLLOKOSA-N 0 3 300.358 2.005 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)C12CC(C1)C2 ZINC000860692682 685951941 /nfs/dbraw/zinc/95/19/41/685951941.db2.gz RNKISWOIZIEYPG-WAUNPFCKSA-N 0 3 304.296 2.090 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1CC(OC)C1)c1ccccc1 ZINC000860693391 685952193 /nfs/dbraw/zinc/95/21/93/685952193.db2.gz GKWDFCUNPBJBJW-SSHXOBKSSA-N 0 3 314.385 2.388 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000861838285 686191812 /nfs/dbraw/zinc/19/18/12/686191812.db2.gz XSOJDATZAPMMPH-SJORKVTESA-N 0 3 302.393 2.391 20 30 DEEDHN C#CC[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000862565799 686325227 /nfs/dbraw/zinc/32/52/27/686325227.db2.gz WPJGYTZXSXSWMF-AEFFLSMTSA-N 0 3 311.429 2.165 20 30 DEEDHN O=c1ccn(N=C2CCN(C3CC3)[C@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000863182483 686441443 /nfs/dbraw/zinc/44/14/43/686441443.db2.gz NJFPECNWWHAOGC-INIZCTEOSA-N 0 3 324.384 2.153 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1C ZINC001054794433 694045656 /nfs/dbraw/zinc/04/56/56/694045656.db2.gz OGXBNEMARXYXLH-BXUZGUMPSA-N 0 3 324.856 2.116 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cncc(F)c2)C1 ZINC001054976077 694086744 /nfs/dbraw/zinc/08/67/44/694086744.db2.gz INZHUKKQRQCUGI-DOMZBBRYSA-N 0 3 305.397 2.369 20 30 DEEDHN C=CCN1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865521792 687245853 /nfs/dbraw/zinc/24/58/53/687245853.db2.gz GVCYPJVDDSMYHY-UHFFFAOYSA-N 0 3 309.341 2.289 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001016142489 687536146 /nfs/dbraw/zinc/53/61/46/687536146.db2.gz XARTVUWHGLGFQH-ZBFHGGJFSA-N 0 3 302.805 2.194 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)CN1C1CC1 ZINC000866457693 687579785 /nfs/dbraw/zinc/57/97/85/687579785.db2.gz SSDJNXMVTQYAEN-RISCZKNCSA-N 0 3 308.385 2.395 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001016301072 687586348 /nfs/dbraw/zinc/58/63/48/687586348.db2.gz RKBFQKUFVGRQTQ-MRXNPFEDSA-N 0 3 312.413 2.445 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001016376360 687605926 /nfs/dbraw/zinc/60/59/26/687605926.db2.gz UJYXZTYUKCIQCX-DOMZBBRYSA-N 0 3 302.805 2.194 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(C)c2F)CC1 ZINC001016639923 687671992 /nfs/dbraw/zinc/67/19/92/687671992.db2.gz ZZAUJPWQUWVEGD-OAHLLOKOSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccnn2[C@H](C)CC)CC1 ZINC001016648245 687673814 /nfs/dbraw/zinc/67/38/14/687673814.db2.gz UDALXNFEYOBIMI-ZBFHGGJFSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(C(C)C)n2)CC1 ZINC001016712458 687687723 /nfs/dbraw/zinc/68/77/23/687687723.db2.gz NCWUMBNNPSYPSF-KRWDZBQOSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc3c(cn2)CCCC3)CC1 ZINC001016721365 687690318 /nfs/dbraw/zinc/69/03/18/687690318.db2.gz IPUZWMQQOKDDHY-SFHVURJKSA-N 0 3 323.440 2.178 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc3ncccc3o2)CC1 ZINC001016736853 687692981 /nfs/dbraw/zinc/69/29/81/687692981.db2.gz SRBLCNZNCMANQQ-QGZVFWFLSA-N 0 3 323.396 2.435 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001016854166 687718818 /nfs/dbraw/zinc/71/88/18/687718818.db2.gz JBKYKVJXHJOUJU-QGZVFWFLSA-N 0 3 307.397 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3ccncc32)CC1 ZINC001016904745 687731632 /nfs/dbraw/zinc/73/16/32/687731632.db2.gz CVNLJHMLMGHSBQ-GOSISDBHSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001016915274 687733397 /nfs/dbraw/zinc/73/33/97/687733397.db2.gz WSDLASLSTKSAHB-INIZCTEOSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC001016953188 687741656 /nfs/dbraw/zinc/74/16/56/687741656.db2.gz BXWKFOMVENLEDZ-ZWKOTPCHSA-N 0 3 324.424 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC001016953387 687741815 /nfs/dbraw/zinc/74/18/15/687741815.db2.gz NDEPRSSDANLYFP-QGZVFWFLSA-N 0 3 309.413 2.177 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2ccccc2Cl)CC1 ZINC001016961804 687744410 /nfs/dbraw/zinc/74/44/10/687744410.db2.gz UNRDOHPAYSOFRC-MRXNPFEDSA-N 0 3 316.832 2.486 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3oc(C)nc32)CC1 ZINC001016994256 687751777 /nfs/dbraw/zinc/75/17/77/687751777.db2.gz SVHFPROWJHEHAN-INIZCTEOSA-N 0 3 323.396 2.354 20 30 DEEDHN C=CCCC(C)(C)CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867740557 687780617 /nfs/dbraw/zinc/78/06/17/687780617.db2.gz DACVNXCKMJZHOT-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCn1cc(C(=O)N2c3ccccc3[C@H](N)C2(C)C)nn1 ZINC000867987159 687863147 /nfs/dbraw/zinc/86/31/47/687863147.db2.gz HVOJFDLRWHBQQL-HNNXBMFYSA-N 0 3 311.389 2.293 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1OC ZINC001017676344 687936931 /nfs/dbraw/zinc/93/69/31/687936931.db2.gz MRRGOTILMGUOPD-TWMKSMIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](OC)C1 ZINC001017689184 687939373 /nfs/dbraw/zinc/93/93/73/687939373.db2.gz 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C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cnn(C)c1 ZINC001018356768 688116336 /nfs/dbraw/zinc/11/63/36/688116336.db2.gz WXLHUMZSKCOGHK-OIISXLGYSA-N 0 3 316.449 2.165 20 30 DEEDHN CC1CC(C(=O)N2CC[C@H](NCc3ccc(C#N)s3)C2)C1 ZINC001018696433 688209866 /nfs/dbraw/zinc/20/98/66/688209866.db2.gz BRJCXIWQZMDPPK-BPCQOVAHSA-N 0 3 303.431 2.356 20 30 DEEDHN C[C@@H](C(=O)C(C#N)c1ccncn1)n1ccc(C(F)(F)F)n1 ZINC000870288840 688531721 /nfs/dbraw/zinc/53/17/21/688531721.db2.gz ZBBVJPDXVWMMBI-IUCAKERBSA-N 0 3 309.251 2.129 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001028262924 688534661 /nfs/dbraw/zinc/53/46/61/688534661.db2.gz GBVGVPPCZQSUIH-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C=CCCN1CCC[C@H]1CNC(=O)c1sc(COC)nc1C ZINC001028291811 688534920 /nfs/dbraw/zinc/53/49/20/688534920.db2.gz XSBXUQTUHGKKAX-ZDUSSCGKSA-N 0 3 323.462 2.368 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001028540115 688540048 /nfs/dbraw/zinc/54/00/48/688540048.db2.gz FEDYTLMMKGTSBU-HNNXBMFYSA-N 0 3 315.417 2.011 20 30 DEEDHN CN1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CCC1(C)C ZINC000871158266 688740313 /nfs/dbraw/zinc/74/03/13/688740313.db2.gz UXGWBPJKNKCWFS-UHFFFAOYSA-N 0 3 307.344 2.393 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871722946 688851376 /nfs/dbraw/zinc/85/13/76/688851376.db2.gz SRFYVMRIALDCQN-UHFFFAOYSA-N 0 3 313.405 2.310 20 30 DEEDHN N#CCc1ccnc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000871731528 688853952 /nfs/dbraw/zinc/85/39/52/688853952.db2.gz XRAGSNQBVOZWEM-HNNXBMFYSA-N 0 3 313.405 2.286 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872276573 688971746 /nfs/dbraw/zinc/97/17/46/688971746.db2.gz LDLBOQXYTQBGHJ-GDBMZVCRSA-N 0 3 307.438 2.171 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001031772749 688994355 /nfs/dbraw/zinc/99/43/55/688994355.db2.gz JPHCQGPLBNSRCH-ZIAGYGMSSA-N 0 3 314.351 2.202 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001031851065 689007788 /nfs/dbraw/zinc/00/77/88/689007788.db2.gz GNACIVKNGWSNMB-UHFFFAOYSA-N 0 3 311.360 2.059 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001032034762 689046978 /nfs/dbraw/zinc/04/69/78/689046978.db2.gz CYYOENICFKMGJT-CYBMUJFWSA-N 0 3 321.446 2.232 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001032066802 689052847 /nfs/dbraw/zinc/05/28/47/689052847.db2.gz IYXOUZIFAFLPSF-UHFFFAOYSA-N 0 3 306.793 2.034 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CN(Cc3ccccc3C)C2)nc1 ZINC001032135520 689069189 /nfs/dbraw/zinc/06/91/89/689069189.db2.gz YJHDBHLSATVMDB-UHFFFAOYSA-N 0 3 319.408 2.233 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC001032198533 689081684 /nfs/dbraw/zinc/08/16/84/689081684.db2.gz NRJHXOUREAZSSA-GDBMZVCRSA-N 0 3 318.367 2.140 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)ccc1F ZINC001032404815 689142165 /nfs/dbraw/zinc/14/21/65/689142165.db2.gz YYBJGYKPWWCSDA-GJZGRUSLSA-N 0 3 318.392 2.374 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cncn2c1C ZINC001032488733 689164911 /nfs/dbraw/zinc/16/49/11/689164911.db2.gz PHKFMHIHFBOBHX-HOTGVXAUSA-N 0 3 310.401 2.118 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1scnc1C ZINC001032709756 689232601 /nfs/dbraw/zinc/23/26/01/689232601.db2.gz JCGZINMECFYDRC-KBPBESRZSA-N 0 3 305.447 2.245 20 30 DEEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033085753 689382579 /nfs/dbraw/zinc/38/25/79/689382579.db2.gz ASGBINIGALURCH-LBPRGKRZSA-N 0 3 309.435 2.264 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cn(-c3ccccc3)cn2)C1 ZINC001033097507 689385942 /nfs/dbraw/zinc/38/59/42/689385942.db2.gz VHDVEOFVJLLHQJ-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001033130848 689400038 /nfs/dbraw/zinc/40/00/38/689400038.db2.gz IOWQNNRHXDCCOO-QGZVFWFLSA-N 0 3 314.404 2.413 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2csc(C3CC3)n2)CC1 ZINC000874436469 689413472 /nfs/dbraw/zinc/41/34/72/689413472.db2.gz HNHDMRIFGMIFAQ-UHFFFAOYSA-N 0 3 305.447 2.330 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2COC)C1 ZINC001033228534 689431793 /nfs/dbraw/zinc/43/17/93/689431793.db2.gz NBZKMJJWBAFAAG-MRXNPFEDSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001033252271 689438846 /nfs/dbraw/zinc/43/88/46/689438846.db2.gz DDKOKJATAGYJCL-KRWDZBQOSA-N 0 3 314.429 2.102 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001033260539 689442328 /nfs/dbraw/zinc/44/23/28/689442328.db2.gz ZIWIJBINLZFBOA-MRXNPFEDSA-N 0 3 312.417 2.214 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccncc2OC(C)C)C1 ZINC001033296568 689452412 /nfs/dbraw/zinc/45/24/12/689452412.db2.gz VTPITMQDXLKAJN-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033311076 689457915 /nfs/dbraw/zinc/45/79/15/689457915.db2.gz DKZIPCJJXHDTFR-OAHLLOKOSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001033448415 689502483 /nfs/dbraw/zinc/50/24/83/689502483.db2.gz KTOFVJKNONSPJP-INIZCTEOSA-N 0 3 300.402 2.344 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000874834315 689508592 /nfs/dbraw/zinc/50/85/92/689508592.db2.gz RETJSBXCBHFTCJ-IRXDYDNUSA-N 0 3 309.413 2.285 20 30 DEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2ccccc2n1CC#N ZINC000874841288 689513887 /nfs/dbraw/zinc/51/38/87/689513887.db2.gz UTLMGLZDLGYILF-SJORKVTESA-N 0 3 322.412 2.474 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001033473748 689514285 /nfs/dbraw/zinc/51/42/85/689514285.db2.gz OVUSJBHKSFDDLT-DOTOQJQBSA-N 0 3 318.392 2.238 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001033577501 689549208 /nfs/dbraw/zinc/54/92/08/689549208.db2.gz DAHMKYXHQLQJJF-ZDUSSCGKSA-N 0 3 304.438 2.430 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccnc(OC(C)C)c2)C1 ZINC001033582614 689550795 /nfs/dbraw/zinc/55/07/95/689550795.db2.gz SNZKSIGSMYOWJK-INIZCTEOSA-N 0 3 315.417 2.038 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001033605040 689557540 /nfs/dbraw/zinc/55/75/40/689557540.db2.gz VHIBXHPANOAFNR-WMZOPIPTSA-N 0 3 314.429 2.409 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(OC)c2OC)C1 ZINC001033612748 689559899 /nfs/dbraw/zinc/55/98/99/689559899.db2.gz GLXOPKLNOGZCCT-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033638816 689569713 /nfs/dbraw/zinc/56/97/13/689569713.db2.gz STABKHQKRPHYAW-HNNXBMFYSA-N 0 3 304.821 2.439 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001033699534 689588832 /nfs/dbraw/zinc/58/88/32/689588832.db2.gz NWQROZMKQYIXCH-YLJYHZDGSA-N 0 3 310.441 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001033841913 689634301 /nfs/dbraw/zinc/63/43/01/689634301.db2.gz CLHPARWNHLNLTR-CYBMUJFWSA-N 0 3 324.375 2.146 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnc3cc(C)ccn32)C1 ZINC001033850953 689638690 /nfs/dbraw/zinc/63/86/90/689638690.db2.gz QNFHDPDAZVPBQY-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(OCC)nc2)C1 ZINC001033854059 689639817 /nfs/dbraw/zinc/63/98/17/689639817.db2.gz SLGMWEMBFBKPRX-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001033856204 689640585 /nfs/dbraw/zinc/64/05/85/689640585.db2.gz SBNRXJLIQKQIMX-CVEARBPZSA-N 0 3 316.449 2.259 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnc(Cl)n2C)C1 ZINC001033902152 689656328 /nfs/dbraw/zinc/65/63/28/689656328.db2.gz YLBZIJWKQTVWRG-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033988555 689684542 /nfs/dbraw/zinc/68/45/42/689684542.db2.gz GGCPFTCMRDYUQK-HNNXBMFYSA-N 0 3 305.809 2.295 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnn(CC)c2C)C1 ZINC001033995389 689686383 /nfs/dbraw/zinc/68/63/83/689686383.db2.gz CUELTPODVZSCMY-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034017829 689695501 /nfs/dbraw/zinc/69/55/01/689695501.db2.gz LJXBJQSELMYEQD-MRXNPFEDSA-N 0 3 313.445 2.453 20 30 DEEDHN COC(=O)NC1CCN(Cc2c(C)cc(C#N)cc2C)CC1 ZINC000931079294 694311363 /nfs/dbraw/zinc/31/13/63/694311363.db2.gz NPRAVWKBJBGRDS-UHFFFAOYSA-N 0 3 301.390 2.496 20 30 DEEDHN C=CCCN1CCCC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001034218933 689767582 /nfs/dbraw/zinc/76/75/82/689767582.db2.gz JKJICAKBQPMTPI-LBPRGKRZSA-N 0 3 309.435 2.312 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001034233204 689773695 /nfs/dbraw/zinc/77/36/95/689773695.db2.gz BYYODFJKJMKVHF-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001034232227 689774222 /nfs/dbraw/zinc/77/42/22/689774222.db2.gz DZGXJXWCCHZVFM-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034295105 689798579 /nfs/dbraw/zinc/79/85/79/689798579.db2.gz DHCOLSPOCDHDAY-OAHLLOKOSA-N 0 3 311.385 2.435 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001034325507 689809556 /nfs/dbraw/zinc/80/95/56/689809556.db2.gz BXIYCVNXHWTHQG-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001034429449 689846919 /nfs/dbraw/zinc/84/69/19/689846919.db2.gz UOSJSTPHNQWTRY-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001034429450 689846946 /nfs/dbraw/zinc/84/69/46/689846946.db2.gz UOSJSTPHNQWTRY-MRXNPFEDSA-N 0 3 316.449 2.308 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034473619 689864055 /nfs/dbraw/zinc/86/40/55/689864055.db2.gz JYHHGQDSXBLKSV-LLVKDONJSA-N 0 3 311.838 2.404 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001034480365 689866171 /nfs/dbraw/zinc/86/61/71/689866171.db2.gz JDZYDGZXAIFOJZ-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001034510133 689879652 /nfs/dbraw/zinc/87/96/52/689879652.db2.gz BYRSHGORELKWLB-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000876627812 689881420 /nfs/dbraw/zinc/88/14/20/689881420.db2.gz DEOVWRWTNPVNNT-KKUMJFAQSA-N 0 3 308.809 2.493 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccccc2OC)C1 ZINC001034521883 689884012 /nfs/dbraw/zinc/88/40/12/689884012.db2.gz RZPMMNLDWGWJJD-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000876641979 689885735 /nfs/dbraw/zinc/88/57/35/689885735.db2.gz WGVZVLYPKCAVPM-QEJZJMRPSA-N 0 3 308.809 2.445 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)CN2CCc3ccccc32)C1 ZINC001034537746 689890052 /nfs/dbraw/zinc/89/00/52/689890052.db2.gz KQLJIVJWRBZKQW-QGZVFWFLSA-N 0 3 313.445 2.206 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000876668698 689895638 /nfs/dbraw/zinc/89/56/38/689895638.db2.gz OCELUWLWSXLROR-GJZGRUSLSA-N 0 3 308.809 2.365 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000876672054 689895979 /nfs/dbraw/zinc/89/59/79/689895979.db2.gz KNLBZCROLCVISD-RWMBFGLXSA-N 0 3 300.830 2.310 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000876673061 689896847 /nfs/dbraw/zinc/89/68/47/689896847.db2.gz JLJQLKWDZGBZNS-AGIUHOORSA-N 0 3 302.846 2.414 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001034556752 689898497 /nfs/dbraw/zinc/89/84/97/689898497.db2.gz IHRXVUOSHXYYOP-HOTGVXAUSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000876677159 689898423 /nfs/dbraw/zinc/89/84/23/689898423.db2.gz IRJDWQXSWUNXCJ-GHMZBOCLSA-N 0 3 321.179 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000876692066 689904674 /nfs/dbraw/zinc/90/46/74/689904674.db2.gz MIYITHHKOJDWNG-NEPJUHHUSA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000876703946 689909654 /nfs/dbraw/zinc/90/96/54/689909654.db2.gz PFGZOXCVJFNEGP-YUELXQCFSA-N 0 3 310.825 2.127 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)c2cn[nH]c2)CC1 ZINC001034605056 689910228 /nfs/dbraw/zinc/91/02/28/689910228.db2.gz TWINLQXMBGEKBH-QAQDUYKDSA-N 0 3 323.400 2.112 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000876713199 689912623 /nfs/dbraw/zinc/91/26/23/689912623.db2.gz GWGLSROEOXSFQR-LBPRGKRZSA-N 0 3 307.785 2.421 20 30 DEEDHN CC(C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)c(F)c1 ZINC001034864967 689971346 /nfs/dbraw/zinc/97/13/46/689971346.db2.gz NHRBMAHEWGNOLN-OAHLLOKOSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(OC2CC2)c1F ZINC000876964010 689984115 /nfs/dbraw/zinc/98/41/15/689984115.db2.gz OYFOIKMIMDLZJK-GFCCVEGCSA-N 0 3 312.772 2.453 20 30 DEEDHN CC[C@H](F)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001035013070 690008401 /nfs/dbraw/zinc/00/84/01/690008401.db2.gz BCCNUSCAZQFAFY-RISCZKNCSA-N 0 3 309.410 2.448 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H](NCc1cccc(C#N)n1)C1CC1 ZINC000877059110 690009359 /nfs/dbraw/zinc/00/93/59/690009359.db2.gz QRMNSMFMKGZTQC-OAHLLOKOSA-N 0 3 316.405 2.346 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCCNC(=O)C2CCC2)c1 ZINC000877082598 690014492 /nfs/dbraw/zinc/01/44/92/690014492.db2.gz YVKBQJFPXMWVNQ-UHFFFAOYSA-N 0 3 306.797 2.003 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@@H]2CNCc2cncn2C)CC1 ZINC001035040095 690018367 /nfs/dbraw/zinc/01/83/67/690018367.db2.gz VOSTVJUUMPOBEN-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C)c(C)o1)CC2 ZINC001035687193 690152535 /nfs/dbraw/zinc/15/25/35/690152535.db2.gz AQHUBUBMGBMUAV-UHFFFAOYSA-N 0 3 300.402 2.458 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]1OC)CC2 ZINC001035737484 690164309 /nfs/dbraw/zinc/16/43/09/690164309.db2.gz INKACCDUGVMDMR-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc3nccn31)CC2 ZINC001035749012 690166935 /nfs/dbraw/zinc/16/69/35/690166935.db2.gz KKLMVNVDYUOKHA-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC001035801876 690179750 /nfs/dbraw/zinc/17/97/50/690179750.db2.gz KTJMENGCSNLMPK-OAGGEKHMSA-N 0 3 304.434 2.054 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(OC)c(C)cc1C ZINC000931234808 694346165 /nfs/dbraw/zinc/34/61/65/694346165.db2.gz MPPSIXNIOSMFRW-UHFFFAOYSA-N 0 3 303.406 2.389 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cocn2)CC[C@@H]1NCc1ccccc1C#N ZINC001035962189 690226129 /nfs/dbraw/zinc/22/61/29/690226129.db2.gz LAVILNQGBMUNEE-CJNGLKHVSA-N 0 3 324.384 2.187 20 30 DEEDHN Cc1ncc(CN[C@@H](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001036407521 690343256 /nfs/dbraw/zinc/34/32/56/690343256.db2.gz BXSBPCNBDUOGNR-XJKSGUPXSA-N 0 3 315.417 2.113 20 30 DEEDHN CC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001036605685 690395503 /nfs/dbraw/zinc/39/55/03/690395503.db2.gz YBTYNXZTOTYDGO-DOTOQJQBSA-N 0 3 301.365 2.140 20 30 DEEDHN CC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001036605277 690395711 /nfs/dbraw/zinc/39/57/11/690395711.db2.gz QXYGCZDGHUFXGC-WMLDXEAASA-N 0 3 301.365 2.140 20 30 DEEDHN CC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001036605276 690395782 /nfs/dbraw/zinc/39/57/82/690395782.db2.gz QXYGCZDGHUFXGC-RHSMWYFYSA-N 0 3 301.365 2.140 20 30 DEEDHN C=CC[C@H](C)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000878395151 690396029 /nfs/dbraw/zinc/39/60/29/690396029.db2.gz WMSRRUADGQUNPA-DZGCQCFKSA-N 0 3 300.468 2.277 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)C(F)F)CC[C@H]21 ZINC001036611505 690399407 /nfs/dbraw/zinc/39/94/07/690399407.db2.gz FHWMHESPOWRKGF-HUUCEWRRSA-N 0 3 319.355 2.246 20 30 DEEDHN O=C(C1CC1)N1CC[C@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036614244 690401664 /nfs/dbraw/zinc/40/16/64/690401664.db2.gz SEQNPURBSYKMHH-OALUTQOASA-N 0 3 308.425 2.371 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)[C@@H]1CO)c1ccccc1 ZINC000878485782 690422008 /nfs/dbraw/zinc/42/20/08/690422008.db2.gz RDYJFVJSTMQKBS-FHLIZLRMSA-N 0 3 300.402 2.130 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3CCF)C2)cc1 ZINC001036788088 690474877 /nfs/dbraw/zinc/47/48/77/690474877.db2.gz WPAVMMLRIPGVNV-IAGOWNOFSA-N 0 3 300.377 2.174 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cnns2)[C@H](CC)C1 ZINC001037889312 690634015 /nfs/dbraw/zinc/63/40/15/690634015.db2.gz ASEYQTATXKWENE-TZMCWYRMSA-N 0 3 322.478 2.467 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC001038246881 690756010 /nfs/dbraw/zinc/75/60/10/690756010.db2.gz ZDMQGEUFJJBQDM-ZDUSSCGKSA-N 0 3 314.389 2.060 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001038334162 690785441 /nfs/dbraw/zinc/78/54/41/690785441.db2.gz BPXIINYYVMDHKG-ZWKOTPCHSA-N 0 3 313.445 2.422 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001038348803 690790907 /nfs/dbraw/zinc/79/09/07/690790907.db2.gz CYUZMWJJKUXBFM-QGZVFWFLSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001038364095 690795713 /nfs/dbraw/zinc/79/57/13/690795713.db2.gz QHNNJIGISNULOM-WBVHZDCISA-N 0 3 313.445 2.377 20 30 DEEDHN C#CCC1(O)CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000880479929 690908273 /nfs/dbraw/zinc/90/82/73/690908273.db2.gz COWVUFIBRRNPCW-UHFFFAOYSA-N 0 3 311.381 2.452 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001038815881 690932364 /nfs/dbraw/zinc/93/23/64/690932364.db2.gz UNGNWZTYRUWNJY-CQSZACIVSA-N 0 3 318.465 2.488 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038851843 690944365 /nfs/dbraw/zinc/94/43/65/690944365.db2.gz UBBOXILVGGXPNW-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038920612 690967134 /nfs/dbraw/zinc/96/71/34/690967134.db2.gz PLCYBASBBIGPTA-MAUKXSAKSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccn(CCF)n2)CC1 ZINC000880767603 690972026 /nfs/dbraw/zinc/97/20/26/690972026.db2.gz ZUUMWFMOCOFVED-UHFFFAOYSA-N 0 3 309.389 2.015 20 30 DEEDHN COc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1C#N ZINC000880877466 690987954 /nfs/dbraw/zinc/98/79/54/690987954.db2.gz WHXBAYNAYRTEAQ-OAHLLOKOSA-N 0 3 312.373 2.045 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039041005 691001429 /nfs/dbraw/zinc/00/14/29/691001429.db2.gz WZCGNWOGFBIDAR-MRXNPFEDSA-N 0 3 321.852 2.305 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001039116566 691024297 /nfs/dbraw/zinc/02/42/97/691024297.db2.gz 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/nfs/dbraw/zinc/44/48/14/693444814.db2.gz KCQCDNCUVMBFJX-MRXNPFEDSA-N 0 3 301.390 2.057 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCN(Cc3ccccc3)[C@@H]2C)nn1 ZINC000926616447 693479775 /nfs/dbraw/zinc/47/97/75/693479775.db2.gz UUZBJCHKTOPZLB-QAPCUYQASA-N 0 3 311.433 2.217 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cnn(C3CCC3)c2)CC1 ZINC001052379772 693518534 /nfs/dbraw/zinc/51/85/34/693518534.db2.gz RPWJAUWECXEWEJ-MRXNPFEDSA-N 0 3 314.433 2.216 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C)c(C#N)c1)[C@@H]1CCN(C)C1 ZINC000926870370 693521343 /nfs/dbraw/zinc/52/13/43/693521343.db2.gz AHBJJSPQOAHBON-QGZVFWFLSA-N 0 3 314.433 2.492 20 30 DEEDHN C#CCN(C(=O)NCc1ccc(C)c(C#N)c1)C1CCN(C)CC1 ZINC000926873906 693522354 /nfs/dbraw/zinc/52/23/54/693522354.db2.gz OJIUNVLHPMZZDX-UHFFFAOYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2sc(Cl)nc2C)CC1 ZINC001052417072 693529658 /nfs/dbraw/zinc/52/96/58/693529658.db2.gz WUSSGTMEVKLQAJ-NSHDSACASA-N 0 3 311.838 2.322 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)CC1 ZINC001052434394 693533951 /nfs/dbraw/zinc/53/39/51/693533951.db2.gz FUVDKGWWBORWKR-INIZCTEOSA-N 0 3 322.412 2.294 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2c(C)noc2C(C)C)CC1 ZINC001052461839 693541082 /nfs/dbraw/zinc/54/10/82/693541082.db2.gz AGJXOXUVEONBSH-AWEZNQCLSA-N 0 3 303.406 2.324 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc(C)c(F)cc2F)CC1 ZINC001052481823 693544997 /nfs/dbraw/zinc/54/49/97/693544997.db2.gz TUJPUGMFGKINLL-ZDUSSCGKSA-N 0 3 306.356 2.491 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc(COC)c2)CC1 ZINC001052534209 693560715 /nfs/dbraw/zinc/56/07/15/693560715.db2.gz FPYLKDAQNHVLKC-SFHVURJKSA-N 0 3 314.429 2.441 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc3cccnc32)CC1 ZINC001052533763 693560871 /nfs/dbraw/zinc/56/08/71/693560871.db2.gz XTCXWBFWNORPAJ-MRXNPFEDSA-N 0 3 307.397 2.452 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc3ccncc3n2)CC1 ZINC001052566286 693569637 /nfs/dbraw/zinc/56/96/37/693569637.db2.gz MLSJJISPGQQOKH-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001052570195 693570807 /nfs/dbraw/zinc/57/08/07/693570807.db2.gz WOQHQYMAMLYTNJ-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC001052609632 693578276 /nfs/dbraw/zinc/57/82/76/693578276.db2.gz XJHRVQSHYZLWNU-HNNXBMFYSA-N 0 3 323.396 2.158 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001052663891 693592171 /nfs/dbraw/zinc/59/21/71/693592171.db2.gz BLDGZIKNFAERFJ-MRXNPFEDSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cn(CC)nc2C(C)C)CC1 ZINC001052754713 693611190 /nfs/dbraw/zinc/61/11/90/693611190.db2.gz PTVOXWNXBOOLEK-HNNXBMFYSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cnc(C(C)C)nc2C)CC1 ZINC001052772514 693616863 /nfs/dbraw/zinc/61/68/63/693616863.db2.gz ZKPBLWPQLDEKRS-OAHLLOKOSA-N 0 3 314.433 2.126 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001052773995 693617891 /nfs/dbraw/zinc/61/78/91/693617891.db2.gz SMTKMGZSZODRMY-UONOGXRCSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001052773992 693617907 /nfs/dbraw/zinc/61/79/07/693617907.db2.gz SMTKMGZSZODRMY-KGLIPLIRSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(-n3cccc3)nc2)CC1 ZINC001052800199 693621781 /nfs/dbraw/zinc/62/17/81/693621781.db2.gz GTXOGOVVXYJXQV-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2noc3c2C[C@H](C)CC3)CC1 ZINC001052836992 693629036 /nfs/dbraw/zinc/62/90/36/693629036.db2.gz NFCIGUMDEGIKFW-ZIAGYGMSSA-N 0 3 315.417 2.017 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)CC1 ZINC001052875390 693638590 /nfs/dbraw/zinc/63/85/90/693638590.db2.gz OCGFTIWKOYRHEW-QGZVFWFLSA-N 0 3 324.428 2.030 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3c(s2)CCOC3)CC1 ZINC001052873445 693638880 /nfs/dbraw/zinc/63/88/80/693638880.db2.gz CVHJVWWHJKUXJU-AWEZNQCLSA-N 0 3 318.442 2.038 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cc3ccccc3n2C)CC1 ZINC001052965584 693658406 /nfs/dbraw/zinc/65/84/06/693658406.db2.gz PMSUQGMZRIGSSU-KRWDZBQOSA-N 0 3 323.440 2.325 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cnc(C(C)C)s2)CC1 ZINC001052983036 693661170 /nfs/dbraw/zinc/66/11/70/693661170.db2.gz AIGNFHLONIWSSJ-ZDUSSCGKSA-N 0 3 305.447 2.484 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CCOCC2)C1 ZINC001053061109 693679952 /nfs/dbraw/zinc/67/99/52/693679952.db2.gz MMLODUISPLUHNQ-ROUUACIJSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CSC)C1 ZINC001053063213 693680374 /nfs/dbraw/zinc/68/03/74/693680374.db2.gz JFWVXYMKEUVOJG-JKSUJKDBSA-N 0 3 308.491 2.466 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2ccc[nH]2)C1 ZINC001053108527 693691307 /nfs/dbraw/zinc/69/13/07/693691307.db2.gz VTWBWNDADJCYCV-WMZOPIPTSA-N 0 3 313.445 2.284 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2[nH]cnc2C)C1 ZINC001053111109 693691700 /nfs/dbraw/zinc/69/17/00/693691700.db2.gz WNZFKKLEOJJPDC-CVEARBPZSA-N 0 3 314.433 2.058 20 30 DEEDHN C[C@@H]1COC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000932499084 694626590 /nfs/dbraw/zinc/62/65/90/694626590.db2.gz JHVOUTUCQYZHAL-IUODEOHRSA-N 0 3 321.808 2.211 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)CC2CC2)C2CC2)s1 ZINC001402236158 1162301259 /nfs/dbraw/zinc/30/12/59/1162301259.db2.gz FIFNHJALNNDDAX-OAHLLOKOSA-N 0 3 303.431 2.404 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)CCOc2ccccc2)CC1 ZINC001333013235 1149958372 /nfs/dbraw/zinc/95/83/72/1149958372.db2.gz FSPPRONPUIXWPO-INIZCTEOSA-N 0 3 314.429 2.305 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)CC3(OC)CCC3)CC2)CC1 ZINC001333179907 1150011242 /nfs/dbraw/zinc/01/12/42/1150011242.db2.gz ALAQZVPDYZJLLR-UHFFFAOYSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001334278860 1150256726 /nfs/dbraw/zinc/25/67/26/1150256726.db2.gz ZYQHMNLXMDDLTR-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC001343180243 1150704087 /nfs/dbraw/zinc/70/40/87/1150704087.db2.gz MQQSVGKVQBJOMP-OAGGEKHMSA-N 0 3 323.481 2.213 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2ccccc2F)CC1 ZINC001343339269 1150735552 /nfs/dbraw/zinc/73/55/52/1150735552.db2.gz KUHQCEQKAMZFKH-OAHLLOKOSA-N 0 3 305.397 2.158 20 30 DEEDHN CC#CCN(CCCNC(=O)c1snnc1C1CC1)C1CC1 ZINC001479871423 1151019132 /nfs/dbraw/zinc/01/91/32/1151019132.db2.gz IBISWXXQODILJP-UHFFFAOYSA-N 0 3 318.446 2.023 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001347650375 1151086959 /nfs/dbraw/zinc/08/69/59/1151086959.db2.gz POZSQOXAQULBLR-AEFFLSMTSA-N 0 3 315.461 2.098 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001480195924 1151718786 /nfs/dbraw/zinc/71/87/86/1151718786.db2.gz DRINMTLSENWVAU-YYHMBLRTSA-N 0 3 319.355 2.349 20 30 DEEDHN C=C[C@@H](O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC ZINC001352471799 1151743204 /nfs/dbraw/zinc/74/32/04/1151743204.db2.gz NZDVJUJYGBNVNM-CQSZACIVSA-N 0 3 321.469 2.076 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001480515118 1151836559 /nfs/dbraw/zinc/83/65/59/1151836559.db2.gz CQGSYQLNZMGTNO-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2cccc(NC(C)=O)c2C1 ZINC001354488824 1151898070 /nfs/dbraw/zinc/89/80/70/1151898070.db2.gz YSNZIBKDDCBQAI-MRXNPFEDSA-N 0 3 315.417 2.213 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1CC1CCC1 ZINC001402721108 1162449793 /nfs/dbraw/zinc/44/97/93/1162449793.db2.gz KPILRFZOPMEZJA-KSSFIOAISA-N 0 3 311.429 2.489 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCOCC1 ZINC001402742591 1162456436 /nfs/dbraw/zinc/45/64/36/1162456436.db2.gz MHHLZWBZSUXOJJ-WDNDVIMCSA-N 0 3 312.841 2.040 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@]1(F)CCOC1 ZINC001356088386 1152057317 /nfs/dbraw/zinc/05/73/17/1152057317.db2.gz RKFCKXWWANTFNO-LKFCYVNXSA-N 0 3 310.712 2.116 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC(=O)Nc1ccc(C)cc1Cl ZINC001357227115 1152274364 /nfs/dbraw/zinc/27/43/64/1152274364.db2.gz NXCIIXWRKYVQRM-ZDUSSCGKSA-N 0 3 323.824 2.387 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC001357249038 1152276326 /nfs/dbraw/zinc/27/63/26/1152276326.db2.gz BFRJOIQMBPBDAN-STQMWFEESA-N 0 3 306.410 2.444 20 30 DEEDHN O=C(CCNCC#C[C@@H]1CCCCO1)Nc1ccccc1F ZINC001357260304 1152278036 /nfs/dbraw/zinc/27/80/36/1152278036.db2.gz LAVSTPQPTPWUCZ-AWEZNQCLSA-N 0 3 304.365 2.316 20 30 DEEDHN CC(C)OC(=O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC001361603936 1152689446 /nfs/dbraw/zinc/68/94/46/1152689446.db2.gz HXXJNLMGFXFQGS-OAHLLOKOSA-N 0 3 302.374 2.217 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1nccs1 ZINC001379755785 1152689971 /nfs/dbraw/zinc/68/99/71/1152689971.db2.gz QNCCZZRIXYXVEW-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc3ncccc3c2)C1 ZINC001380353123 1152796279 /nfs/dbraw/zinc/79/62/79/1152796279.db2.gz XOABUEFXEFOWRC-AUUYWEPGSA-N 0 3 322.412 2.475 20 30 DEEDHN Cc1nc(CNC[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)sc1C ZINC001380395312 1152805832 /nfs/dbraw/zinc/80/58/32/1152805832.db2.gz CIKYAOQTVLXZHS-MEDUHNTESA-N 0 3 320.462 2.248 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2CC)CCOCC1 ZINC001381065405 1152898911 /nfs/dbraw/zinc/89/89/11/1152898911.db2.gz JPDBUKCUCNXQNO-CHWSQXEVSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001381136721 1152923283 /nfs/dbraw/zinc/92/32/83/1152923283.db2.gz VBPVKWLFZXKXHV-UONOGXRCSA-N 0 3 315.889 2.296 20 30 DEEDHN CCOC(=O)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC001362570056 1152982129 /nfs/dbraw/zinc/98/21/29/1152982129.db2.gz OFTWYLYGWDREMB-HIFRSBDPSA-N 0 3 302.374 2.217 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001382052122 1153333920 /nfs/dbraw/zinc/33/39/20/1153333920.db2.gz SWUXMRKQGPYHIH-LRDDRELGSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NCc1ccccc1F ZINC001382070092 1153343681 /nfs/dbraw/zinc/34/36/81/1153343681.db2.gz SVYTXDZYWOONHV-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN COc1ccc2c(c1)C[C@@H](NCC1(C#N)CCOCC1)CC2 ZINC001363435725 1153402302 /nfs/dbraw/zinc/40/23/02/1153402302.db2.gz SXPOMBLZXFXVMM-INIZCTEOSA-N 0 3 300.402 2.462 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn(C(F)F)c1 ZINC001390695563 1155840524 /nfs/dbraw/zinc/84/05/24/1155840524.db2.gz GWYUFOLGVXVXQY-SECBINFHSA-N 0 3 306.744 2.129 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(Cl)c(OC)c1 ZINC001390887204 1155914622 /nfs/dbraw/zinc/91/46/22/1155914622.db2.gz KOFHODNNKYZIPN-LBPRGKRZSA-N 0 3 323.824 2.446 20 30 DEEDHN CSC[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001403162918 1162801606 /nfs/dbraw/zinc/80/16/06/1162801606.db2.gz KXZLFUBUGMWBPZ-NEPJUHHUSA-N 0 3 323.487 2.309 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001392087307 1156865370 /nfs/dbraw/zinc/86/53/70/1156865370.db2.gz GOXCODFDABQQDY-ZOWXZIJZSA-N 0 3 303.381 2.290 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)C1(C)CC1)C(C)C ZINC001392220924 1156896462 /nfs/dbraw/zinc/89/64/62/1156896462.db2.gz OCTXKKQPQUHAMP-NSHDSACASA-N 0 3 303.244 2.426 20 30 DEEDHN CCCC[C@H](CNCc1ncccc1C)NC(=O)[C@H](C)C#N ZINC001403264020 1162830984 /nfs/dbraw/zinc/83/09/84/1162830984.db2.gz BGLLFFLWMJJIEK-HUUCEWRRSA-N 0 3 302.422 2.314 20 30 DEEDHN Cc1c(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)ccn1C ZINC001392506313 1157080728 /nfs/dbraw/zinc/08/07/28/1157080728.db2.gz WAPILIFNXAXFBU-LLVKDONJSA-N 0 3 316.430 2.175 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001373588204 1157123550 /nfs/dbraw/zinc/12/35/50/1157123550.db2.gz NXSSTRQVMPYSDF-BBRMVZONSA-N 0 3 308.385 2.085 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1CCCOC1)NCc1ccc(C#N)s1 ZINC001373741340 1157329949 /nfs/dbraw/zinc/32/99/49/1157329949.db2.gz VYWVSJHRDUOZLY-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN CCC(=O)N[C@@](C)(CNCc1cc(C#N)ccc1OC)C1CC1 ZINC001373866101 1157420370 /nfs/dbraw/zinc/42/03/70/1157420370.db2.gz PWEUDLQSBLAZLM-SFHVURJKSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2cscn2)C1 ZINC001403456455 1162889207 /nfs/dbraw/zinc/88/92/07/1162889207.db2.gz CGNGKFNTEZFLMM-AULYBMBSSA-N 0 3 313.854 2.313 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1CCC1 ZINC001393911297 1158061545 /nfs/dbraw/zinc/06/15/45/1158061545.db2.gz RIDWCAMIBRGXBG-NEPJUHHUSA-N 0 3 303.381 2.480 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374870241 1158066386 /nfs/dbraw/zinc/06/63/86/1158066386.db2.gz QWGGFGMPXDYQEO-FZMZJTMJSA-N 0 3 309.435 2.029 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)no1 ZINC001375002067 1158187769 /nfs/dbraw/zinc/18/77/69/1158187769.db2.gz MJCATGGYFAKDRQ-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cncs1 ZINC001375006020 1158194057 /nfs/dbraw/zinc/19/40/57/1158194057.db2.gz PJWBTYHGGZCTJN-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2nonc2C)CCCCC1 ZINC001394199264 1158363312 /nfs/dbraw/zinc/36/33/12/1158363312.db2.gz XDCWMQOJHHCEEN-UHFFFAOYSA-N 0 3 312.801 2.153 20 30 DEEDHN Cc1conc1C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001394535797 1158618824 /nfs/dbraw/zinc/61/88/24/1158618824.db2.gz DOVWDUXPBLQUGC-LLVKDONJSA-N 0 3 318.402 2.167 20 30 DEEDHN CC(C)OCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001375734387 1158857458 /nfs/dbraw/zinc/85/74/58/1158857458.db2.gz CZLOWRQIWXKWEA-CYBMUJFWSA-N 0 3 321.446 2.125 20 30 DEEDHN Cc1cncc(CN2CCC(C)(CNC(=O)[C@@H](C)C#N)CC2)c1 ZINC001375910269 1158962711 /nfs/dbraw/zinc/96/27/11/1158962711.db2.gz JKKFYQFSNLIRJK-HNNXBMFYSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001376473088 1159459797 /nfs/dbraw/zinc/45/97/97/1159459797.db2.gz RDYMMHJPCNVKQF-AXFHLTTASA-N 0 3 307.207 2.126 20 30 DEEDHN CCc1oncc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001376814946 1159811068 /nfs/dbraw/zinc/81/10/68/1159811068.db2.gz DSUAXOGNMWOOMJ-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccccn1 ZINC001377770391 1160815291 /nfs/dbraw/zinc/81/52/91/1160815291.db2.gz PUYRRSPKOHVINB-RYUDHWBXSA-N 0 3 314.414 2.311 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001378102539 1161019025 /nfs/dbraw/zinc/01/90/25/1161019025.db2.gz MBDLJPQUTNJDBL-CZUORRHYSA-N 0 3 303.381 2.108 20 30 DEEDHN C[C@H](CNC(=O)c1nccs1)NCc1ccc(C#N)c(F)c1 ZINC001399111365 1161240353 /nfs/dbraw/zinc/24/03/53/1161240353.db2.gz QUOKLECRYNMODO-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCOC[C@@H]2C)CCCC1 ZINC001400950071 1161851520 /nfs/dbraw/zinc/85/15/20/1161851520.db2.gz BHGDXGVAHSFODX-JSGCOSHPSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)CCOC)CCCC[C@H]1C ZINC001401016979 1161860997 /nfs/dbraw/zinc/86/09/97/1161860997.db2.gz DRCQYXWZEKJBJD-IUODEOHRSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001401697440 1162080361 /nfs/dbraw/zinc/08/03/61/1162080361.db2.gz JRZZFJDHUJBRAQ-WUHRBBMRSA-N 0 3 303.431 2.260 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC2(NCc3ccc(F)cc3)CC2)c1 ZINC001401939896 1162190305 /nfs/dbraw/zinc/19/03/05/1162190305.db2.gz GFMQFMGOXKINEJ-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001401971229 1162201788 /nfs/dbraw/zinc/20/17/88/1162201788.db2.gz RYOVNODRYZSZKQ-CQSZACIVSA-N 0 3 313.873 2.240 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](CC)OC)NCc1ccc(C#N)c(F)c1 ZINC001405214203 1164016027 /nfs/dbraw/zinc/01/60/27/1164016027.db2.gz PPROVKSLAIALBC-HOCLYGCPSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@@H](CNC(=O)C1(C)CC1)NCc1ccc(C#N)c(F)c1 ZINC001405253734 1164029582 /nfs/dbraw/zinc/02/95/82/1164029582.db2.gz LBDGALQPVJJBIO-AWEZNQCLSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cn(C)nc2CC)CCCC1 ZINC001405396005 1164071702 /nfs/dbraw/zinc/07/17/02/1164071702.db2.gz ZNDTXUNRGVNBSW-UHFFFAOYSA-N 0 3 324.856 2.367 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cn(C)cn2)CCCC[C@@H]1C ZINC001405488144 1164116062 /nfs/dbraw/zinc/11/60/62/1164116062.db2.gz NOGWPSUFEOICPC-BLLLJJGKSA-N 0 3 324.856 2.441 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ccc(C)nc1)C(C)C ZINC001406068449 1164421943 /nfs/dbraw/zinc/42/19/43/1164421943.db2.gz KHDNAGYNVHCJMQ-OAHLLOKOSA-N 0 3 309.841 2.415 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001407032619 1164934046 /nfs/dbraw/zinc/93/40/46/1164934046.db2.gz RSAUUESCVVPPQU-INIZCTEOSA-N 0 3 313.873 2.005 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)CCCC(C)=O)[C@@H](C)C1 ZINC001407093221 1164966748 /nfs/dbraw/zinc/96/67/48/1164966748.db2.gz RPWMOHDZAFWHCI-JSGCOSHPSA-N 0 3 300.830 2.467 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2n1CCCC2 ZINC001408221655 1165537972 /nfs/dbraw/zinc/53/79/72/1165537972.db2.gz VEGJHWBLVSMLES-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001418104014 1167412185 /nfs/dbraw/zinc/41/21/85/1167412185.db2.gz MQLYHNPOUBDPKP-PHIMTYICSA-N 0 3 301.228 2.322 20 30 DEEDHN Cc1ccc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)o1 ZINC001418211714 1167492590 /nfs/dbraw/zinc/49/25/90/1167492590.db2.gz SOMZRYCFLWJKDL-SNVBAGLBSA-N 0 3 303.387 2.429 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001418215535 1167496164 /nfs/dbraw/zinc/49/61/64/1167496164.db2.gz AMBKHHJKNWHGAX-LBPRGKRZSA-N 0 3 316.430 2.175 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)CC2(C)CC2)cc1C#N ZINC001418258788 1167525551 /nfs/dbraw/zinc/52/55/51/1167525551.db2.gz VGGYFKQYNUURQQ-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001418316409 1167571934 /nfs/dbraw/zinc/57/19/34/1167571934.db2.gz IFTBHYPTBHAKMG-UKRRQHHQSA-N 0 3 309.841 2.136 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)CCOc1c(C)cccc1C ZINC001418542989 1167801186 /nfs/dbraw/zinc/80/11/86/1167801186.db2.gz YSKGNCNQGAUTBD-INIZCTEOSA-N 0 3 317.433 2.280 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001418697887 1167893392 /nfs/dbraw/zinc/89/33/92/1167893392.db2.gz JTPJBQTWHBNRMJ-BPLDGKMQSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001419069611 1168175621 /nfs/dbraw/zinc/17/56/21/1168175621.db2.gz VCDNLVXXOHWOBG-JSGCOSHPSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2[nH]c(C)nc2C)CCCC1 ZINC001419307888 1168389514 /nfs/dbraw/zinc/38/95/14/1168389514.db2.gz VDALFQVAHXROTJ-UHFFFAOYSA-N 0 3 310.829 2.411 20 30 DEEDHN CC[C@H](F)C(=O)N(C)[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001419708222 1168812703 /nfs/dbraw/zinc/81/27/03/1168812703.db2.gz UJDOFKNSSADQGQ-WFASDCNBSA-N 0 3 321.396 2.251 20 30 DEEDHN CCN1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C(C)(C)C1 ZINC001420053289 1169114076 /nfs/dbraw/zinc/11/40/76/1169114076.db2.gz ILAYTZDJVXVNEZ-MRXNPFEDSA-N 0 3 311.429 2.436 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420284969 1169319915 /nfs/dbraw/zinc/31/99/15/1169319915.db2.gz YHJZFEHTVITCKW-NEPJUHHUSA-N 0 3 323.437 2.433 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420332262 1169368970 /nfs/dbraw/zinc/36/89/70/1169368970.db2.gz VWCKMMVHERAUMX-IAQYHMDHSA-N 0 3 309.360 2.286 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(CCF)CC1 ZINC001420448677 1169570739 /nfs/dbraw/zinc/57/07/39/1169570739.db2.gz UOUPBGHUVZVPFI-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(CCOC2CCC2)C1 ZINC001420811281 1171191901 /nfs/dbraw/zinc/19/19/01/1171191901.db2.gz NHNGEHPMZHUYRF-CABCVRRESA-N 0 3 307.438 2.028 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cocc2C)CCOCC1 ZINC001422011540 1172227986 /nfs/dbraw/zinc/22/79/86/1172227986.db2.gz HPYVEAHZRGRJIS-UHFFFAOYSA-N 0 3 312.797 2.209 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ncnc2[nH]ccc21)C(C)C ZINC001422103256 1172305252 /nfs/dbraw/zinc/30/52/52/1172305252.db2.gz UZIHAMAWYJBQNF-GFCCVEGCSA-N 0 3 321.812 2.006 20 30 DEEDHN CCCC(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC001422255039 1172443486 /nfs/dbraw/zinc/44/34/86/1172443486.db2.gz XBOQMHQHPQTFAH-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cccnn2)CCCCC1 ZINC001422682961 1172807080 /nfs/dbraw/zinc/80/70/80/1172807080.db2.gz WILKOPUXSLRWTB-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001422988325 1173001847 /nfs/dbraw/zinc/00/18/47/1173001847.db2.gz YVXRWECLQSBVAF-ABAIWWIYSA-N 0 3 324.856 2.167 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nnn(C(C)C)c1C ZINC001424615356 1173848779 /nfs/dbraw/zinc/84/87/79/1173848779.db2.gz CGSVBMBHWGVERV-NSHDSACASA-N 0 3 313.833 2.018 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@@H]1OCC ZINC001424862896 1173997574 /nfs/dbraw/zinc/99/75/74/1173997574.db2.gz PGGUEPKWIHHZFI-STQMWFEESA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](CN(C)C(=O)CC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001425509788 1174344351 /nfs/dbraw/zinc/34/43/51/1174344351.db2.gz ICVPDPQHWUAMAM-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN CCN1CCN(c2cccc(Nc3ccnc(C#N)c3)c2)CC1 ZINC001434444462 1178562856 /nfs/dbraw/zinc/56/28/56/1178562856.db2.gz GZVKEDPQPRTYGW-UHFFFAOYSA-N 0 3 307.401 2.261 20 30 DEEDHN C[C@H](CNC(=O)CC1(C)CC1)NCc1ccc(F)c(C#N)c1 ZINC001437188077 1179530185 /nfs/dbraw/zinc/53/01/85/1179530185.db2.gz YGKVOYCIKCBBIC-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001438216624 1180238070 /nfs/dbraw/zinc/23/80/70/1180238070.db2.gz CHEGAWYFUYSOKQ-KBXCAEBGSA-N 0 3 311.429 2.368 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C1=COCCC1 ZINC001439302925 1181005549 /nfs/dbraw/zinc/00/55/49/1181005549.db2.gz IEMZIFRQMGTLFI-CQSZACIVSA-N 0 3 313.401 2.189 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001439315386 1181015094 /nfs/dbraw/zinc/01/50/94/1181015094.db2.gz ULTFFWBKFJNQAA-ZIAGYGMSSA-N 0 3 310.401 2.331 20 30 DEEDHN C[C@@]1(CNCc2ccccc2C#N)CCN(C(=O)c2cnco2)C1 ZINC001439896049 1181295244 /nfs/dbraw/zinc/29/52/44/1181295244.db2.gz XGNVZYUYHFAEBA-SFHVURJKSA-N 0 3 324.384 2.188 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001440371866 1181469112 /nfs/dbraw/zinc/46/91/12/1181469112.db2.gz RXBBYFNWEBMFKB-YDHLFZDLSA-N 0 3 307.825 2.422 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C(C)(C)CC)CC1 ZINC001440625052 1181617380 /nfs/dbraw/zinc/61/73/80/1181617380.db2.gz OVQNTOKOWGDKLF-UHFFFAOYSA-N 0 3 302.846 2.118 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)[C@H](C)NCc2ccc(C#N)s2)co1 ZINC001440776499 1181685464 /nfs/dbraw/zinc/68/54/64/1181685464.db2.gz GFQBLNRUZXCPTJ-VHSXEESVSA-N 0 3 318.402 2.213 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H](C)NC(=O)C(C)C ZINC001440795853 1181697676 /nfs/dbraw/zinc/69/76/76/1181697676.db2.gz ZZTSHPKWARMZKF-CHWSQXEVSA-N 0 3 303.406 2.206 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccoc1)N(C)Cc1ccc(C#N)cc1 ZINC001440913739 1181769279 /nfs/dbraw/zinc/76/92/79/1181769279.db2.gz WFSFPIQEKMWKLJ-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001441158353 1181875853 /nfs/dbraw/zinc/87/58/53/1181875853.db2.gz VHJRYNFBWLPXIQ-OAHLLOKOSA-N 0 3 321.371 2.430 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)CCCF)C2)cc1 ZINC001442873174 1182759732 /nfs/dbraw/zinc/75/97/32/1182759732.db2.gz BTMCEQKLDZAFDE-MRXNPFEDSA-N 0 3 303.381 2.246 20 30 DEEDHN Cc1cc(CN2CCC(CCNC(=O)[C@@H](C)C#N)CC2)sn1 ZINC001444205302 1183316043 /nfs/dbraw/zinc/31/60/43/1183316043.db2.gz CVWBPRMFNLHKKN-LBPRGKRZSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C2CCOCC2)CCCC1 ZINC001444484305 1183408365 /nfs/dbraw/zinc/40/83/65/1183408365.db2.gz OFJSELFNYHKSSH-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccn(C)c1 ZINC001445689735 1183982078 /nfs/dbraw/zinc/98/20/78/1183982078.db2.gz JQNKBMNGJKXUAU-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCC2(F)F)CCOCC1 ZINC001447477153 1184785166 /nfs/dbraw/zinc/78/51/66/1184785166.db2.gz WKPWVIXWXXDNOR-LLVKDONJSA-N 0 3 322.783 2.039 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1cc(C)on1 ZINC001447949043 1184974640 /nfs/dbraw/zinc/97/46/40/1184974640.db2.gz QPGYJHUCYAXJOW-UHFFFAOYSA-N 0 3 313.829 2.352 20 30 DEEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001448010172 1185021051 /nfs/dbraw/zinc/02/10/51/1185021051.db2.gz NDBAIQKHQQPNTI-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN CCCC[C@@H](CNCc1cc(C)ns1)NC(=O)[C@H](C)C#N ZINC001448254010 1185132831 /nfs/dbraw/zinc/13/28/31/1185132831.db2.gz RXXMJUNOFJPYMP-YPMHNXCESA-N 0 3 308.451 2.376 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001168427484 782193832 /nfs/dbraw/zinc/19/38/32/782193832.db2.gz ZEEFDMFJSFPOCU-HNNXBMFYSA-N 0 3 317.433 2.049 20 30 DEEDHN CO[C@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C1CCC1 ZINC001406511042 1164647075 /nfs/dbraw/zinc/64/70/75/1164647075.db2.gz CSSKSDANUHSGRE-NHYWBVRUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCOCC(F)(F)F)[C@H]1C ZINC001332183097 1149831391 /nfs/dbraw/zinc/83/13/91/1149831391.db2.gz ALGBICJGVYMUBB-NEPJUHHUSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cncc(Cl)c3C)C2)C1 ZINC001072829724 790264274 /nfs/dbraw/zinc/26/42/74/790264274.db2.gz GPSWRNKDHYXCKK-UHFFFAOYSA-N 0 3 305.809 2.377 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnoc3-c3ccco3)C2)C1 ZINC001072861866 790277821 /nfs/dbraw/zinc/27/78/21/790277821.db2.gz BMSFWNBTKVXDNO-UHFFFAOYSA-N 0 3 313.357 2.269 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@H](CNCc2ncc(Cl)n2C)C1 ZINC001332238722 1149838941 /nfs/dbraw/zinc/83/89/41/1149838941.db2.gz DSRFZZWNEWUGDY-QWHCGFSZSA-N 0 3 324.856 2.414 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cn3cnc4ccc(C)cc43)C2)C1 ZINC001072912488 790299864 /nfs/dbraw/zinc/29/98/64/790299864.db2.gz JVKCCPIBVAPLIJ-UHFFFAOYSA-N 0 3 324.428 2.065 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1ccccc1C ZINC001332675756 1149879343 /nfs/dbraw/zinc/87/93/43/1149879343.db2.gz DBRNGYXRHGOXQW-FUHWJXTLSA-N 0 3 318.461 2.111 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1=CCN(CCc2ccccc2F)CC1 ZINC001333309801 1150031758 /nfs/dbraw/zinc/03/17/58/1150031758.db2.gz JCFSVVMQQIIWGD-AWEZNQCLSA-N 0 3 315.392 2.276 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](CNCc2cc(OC)no2)[C@H](C)C1 ZINC001106612258 782811790 /nfs/dbraw/zinc/81/17/90/782811790.db2.gz QYEVFPIGGMFQJT-ZIAGYGMSSA-N 0 3 321.421 2.224 20 30 DEEDHN COc1ccc(CNCCNC(=O)c2ccsc2)cc1C#N ZINC001123263518 782926793 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C=CCN1CC[C@H](NC(=O)c2cc(CC)nnc2C)C[C@@H]1C ZINC000947569373 783178082 /nfs/dbraw/zinc/17/80/82/783178082.db2.gz WZDKKHXVJGREQE-WFASDCNBSA-N 0 3 302.422 2.116 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnn(CC)c2C)CC(C)(C)C1 ZINC001089527273 783183932 /nfs/dbraw/zinc/18/39/32/783183932.db2.gz MGHKDJREETUQIK-OAHLLOKOSA-N 0 3 316.449 2.065 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nccs2)CC(C)(C)C1 ZINC001089528697 783185333 /nfs/dbraw/zinc/18/53/33/783185333.db2.gz MMTSTSKZJODKBJ-CYBMUJFWSA-N 0 3 305.447 2.387 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@]2(C)CCCOC2)CC(C)(C)C1 ZINC001089529742 783187942 /nfs/dbraw/zinc/18/79/42/783187942.db2.gz WPINVLPUNYHUCK-CRAIPNDOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)C[C@H]1C ZINC000947742624 783220375 /nfs/dbraw/zinc/22/03/75/783220375.db2.gz ZAYFCHGRUXCEON-ZBFHGGJFSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2F)C[C@H]1C ZINC000947753175 783223506 /nfs/dbraw/zinc/22/35/06/783223506.db2.gz BVIRVMVEZBDMRB-OCCSQVGLSA-N 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C=CCN1CC=C(CCNC(=O)c2coc(C3CC3)n2)CC1 ZINC001161405014 777511497 /nfs/dbraw/zinc/51/14/97/777511497.db2.gz SSXOUMWZKKWHGA-UHFFFAOYSA-N 0 3 301.390 2.490 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)[C@H]21 ZINC001087278543 777701797 /nfs/dbraw/zinc/70/17/97/777701797.db2.gz JNZFTDPYPBOBTB-ZACQAIPSSA-N 0 3 324.428 2.128 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccncc3C)C(C)(C)[C@H]21 ZINC001087285868 777729356 /nfs/dbraw/zinc/72/93/56/777729356.db2.gz HEMSPTVSNNOINJ-IKGGRYGDSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(CC)on3)C(C)(C)[C@H]21 ZINC001087314713 777776026 /nfs/dbraw/zinc/77/60/26/777776026.db2.gz PPUBBCWTLHXKHG-KBMXLJTQSA-N 0 3 315.417 2.089 20 30 DEEDHN CC(C)N(C)CC(=O)N(C)[C@@H](C)CNc1cccc(F)c1C#N ZINC001104589452 777955621 /nfs/dbraw/zinc/95/56/21/777955621.db2.gz BONNMQVETZSWNW-ZDUSSCGKSA-N 0 3 320.412 2.296 20 30 DEEDHN CCCN(C)CC(=O)N(C)[C@H](C)CNc1cccc(F)c1C#N ZINC001104640491 777988617 /nfs/dbraw/zinc/98/86/17/777988617.db2.gz XPXNNSSONCEJOU-CYBMUJFWSA-N 0 3 320.412 2.298 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C2CC2)C2CC2)C1 ZINC001112012845 777993399 /nfs/dbraw/zinc/99/33/99/777993399.db2.gz MHESGEXXDQOMJJ-LPHOPBHVSA-N 0 3 300.446 2.417 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccns1)C[C@H](C)O2 ZINC001098603791 778089074 /nfs/dbraw/zinc/08/90/74/778089074.db2.gz XJQLLENQOPGXQC-ZDUSSCGKSA-N 0 3 321.446 2.025 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc(F)c[nH]1)C[C@H](C)O2 ZINC001098613641 778258484 /nfs/dbraw/zinc/25/84/84/778258484.db2.gz BOTMBOYLPHEIBY-ZDUSSCGKSA-N 0 3 321.396 2.035 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112068722 778284085 /nfs/dbraw/zinc/28/40/85/778284085.db2.gz NBQIYELCEGNKKK-CHWSQXEVSA-N 0 3 320.355 2.134 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1C ZINC001105023405 778300999 /nfs/dbraw/zinc/30/09/99/778300999.db2.gz XTMZQNADDUJWLO-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)COC2CCCCC2)C1 ZINC001111797542 778428580 /nfs/dbraw/zinc/42/85/80/778428580.db2.gz FNDSJTNLOMBAIK-LPHOPBHVSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC(n2cc(CNC[C@H](C)CC)nn2)C1 ZINC001105297189 778430064 /nfs/dbraw/zinc/43/00/64/778430064.db2.gz JLJYEMSNDPULQA-CYBMUJFWSA-N 0 3 319.453 2.009 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C[C@H](C)O2 ZINC001098627518 778573068 /nfs/dbraw/zinc/57/30/68/778573068.db2.gz UAEWSFSJKJBGQO-MWDXBVQZSA-N 0 3 318.461 2.300 20 30 DEEDHN C#CCCCC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001126338651 778758179 /nfs/dbraw/zinc/75/81/79/778758179.db2.gz FIWFDVIIPJVNTH-MRXNPFEDSA-N 0 3 306.356 2.461 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001073438305 790655899 /nfs/dbraw/zinc/65/58/99/790655899.db2.gz OYZMWKDAYLLWCK-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211765686 778847013 /nfs/dbraw/zinc/84/70/13/778847013.db2.gz 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C=C(C)CN1CC[C@H](NC(=O)c2cccc(OC)n2)[C@H]1CC ZINC001087780928 779448363 /nfs/dbraw/zinc/44/83/63/779448363.db2.gz IERXBUVHLFCBOI-DZGCQCFKSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3ccccn3c2F)[C@H]1CC ZINC001087783542 779451130 /nfs/dbraw/zinc/45/11/30/779451130.db2.gz GHJSFNPSKQYRFI-QWHCGFSZSA-N 0 3 316.380 2.242 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2OC)[C@H]1CC ZINC001087808379 779460763 /nfs/dbraw/zinc/46/07/63/779460763.db2.gz MQKYWXWRTKCKEA-LSDHHAIUSA-N 0 3 318.417 2.473 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(N(C)C)cn2)[C@H]1CC ZINC001087843740 779482429 /nfs/dbraw/zinc/48/24/29/779482429.db2.gz NSQVDXRSUSNOGF-DOTOQJQBSA-N 0 3 316.449 2.306 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@@H]2C1 ZINC001087885302 779514332 /nfs/dbraw/zinc/51/43/32/779514332.db2.gz IGEFRFAMAKMJOB-OLZOCXBDSA-N 0 3 306.793 2.350 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001073521059 790710451 /nfs/dbraw/zinc/71/04/51/790710451.db2.gz JTCUBTXSBYYMSX-KRWDZBQOSA-N 0 3 302.418 2.392 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC4(CC4)C3)C[C@@H]2C1 ZINC001087965645 779576929 /nfs/dbraw/zinc/57/69/29/779576929.db2.gz QLKFEAJMDYWSKA-ZACQAIPSSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(C(F)F)CCCC3)C[C@@H]2C1 ZINC001088079616 779683159 /nfs/dbraw/zinc/68/31/59/779683159.db2.gz NGCRBWYANZNVNQ-KGLIPLIRSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(F)c3F)C[C@@H]2C1 ZINC001088116003 779709635 /nfs/dbraw/zinc/70/96/35/779709635.db2.gz AKBNHFGUDICUFW-KGLIPLIRSA-N 0 3 318.367 2.300 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001088225853 779783619 /nfs/dbraw/zinc/78/36/19/779783619.db2.gz YMASGDSZNCDJBY-SFHVURJKSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001088256016 779839389 /nfs/dbraw/zinc/83/93/89/779839389.db2.gz CSLLCTOCLXSNJN-OAHLLOKOSA-N 0 3 323.824 2.047 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NCc2cncc(F)c2)C1 ZINC001088281324 779903664 /nfs/dbraw/zinc/90/36/64/779903664.db2.gz LFFDZFJOOXJNEB-XJKSGUPXSA-N 0 3 318.396 2.241 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2cncnc2)C1 ZINC001088305113 779929288 /nfs/dbraw/zinc/92/92/88/779929288.db2.gz QMFDNNJYTMIHHI-HNNXBMFYSA-N 0 3 322.840 2.132 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001073657618 790771133 /nfs/dbraw/zinc/77/11/33/790771133.db2.gz KNKMWTANHHXZRD-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001073687580 790792817 /nfs/dbraw/zinc/79/28/17/790792817.db2.gz VUKNBIDKUANFOE-MRXNPFEDSA-N 0 3 318.417 2.049 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccnc(CCC)c3)[C@@H]2C1 ZINC001075911911 780579753 /nfs/dbraw/zinc/57/97/53/780579753.db2.gz ITVZRPOBZHKXBM-FUHWJXTLSA-N 0 3 311.429 2.204 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(F)(F)F)no2)[C@H]1C ZINC001088641827 780673908 /nfs/dbraw/zinc/67/39/08/780673908.db2.gz YNLBDWODPXCMJX-ZJUUUORDSA-N 0 3 317.311 2.462 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(C)c(F)cc3F)[C@@H]2C1 ZINC001075932197 780681609 /nfs/dbraw/zinc/68/16/09/780681609.db2.gz VNLZOOXFZQQDMK-SUMWQHHRSA-N 0 3 318.367 2.443 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CN(CC(=C)C)CCCO2)cc1 ZINC001073724501 790816143 /nfs/dbraw/zinc/81/61/43/790816143.db2.gz XNMABXUFEFRCSU-SFHVURJKSA-N 0 3 312.413 2.065 20 30 DEEDHN CC(C)C#CC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001126810051 780929897 /nfs/dbraw/zinc/92/98/97/780929897.db2.gz ACAJRIHPOGMVNE-INIZCTEOSA-N 0 3 306.356 2.317 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001083483141 780977047 /nfs/dbraw/zinc/97/70/47/780977047.db2.gz JSZZMUQIKXUQHW-ZACQAIPSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3c(F)cccc3F)[C@@H]2C1 ZINC001076188275 781162456 /nfs/dbraw/zinc/16/24/56/781162456.db2.gz BRCBTDMYPFIJRR-BLLLJJGKSA-N 0 3 306.356 2.226 20 30 DEEDHN COc1ccc(C)cc1CNCCNC(=O)C#CC(C)(C)C ZINC001126920754 781177033 /nfs/dbraw/zinc/17/70/33/781177033.db2.gz BLUHDANJDHEUOD-UHFFFAOYSA-N 0 3 302.418 2.259 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ncccc3Cl)[C@@H]2C1 ZINC001076481291 781277199 /nfs/dbraw/zinc/27/71/99/781277199.db2.gz KDQJHSYLLGILBY-GXTWGEPZSA-N 0 3 305.809 2.457 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccncc2Cl)C1 ZINC001073788930 790871515 /nfs/dbraw/zinc/87/15/15/790871515.db2.gz VZIIJVADGBIRFU-ZDUSSCGKSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001073811952 790895834 /nfs/dbraw/zinc/89/58/34/790895834.db2.gz QCGWUDYAPPIHSN-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cnoc2C(C)C)C1 ZINC001073843731 790911170 /nfs/dbraw/zinc/91/11/70/790911170.db2.gz CVWZVLLRVPAQJQ-AWEZNQCLSA-N 0 3 321.421 2.195 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(C)c2)C[C@H]1C ZINC000947802029 783236065 /nfs/dbraw/zinc/23/60/65/783236065.db2.gz SLIYLANBAHNKGZ-GDBMZVCRSA-N 0 3 300.402 2.220 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(COC)o2)C1 ZINC001091132799 790924804 /nfs/dbraw/zinc/92/48/04/790924804.db2.gz IRXFMSXWJLCGSN-UHFFFAOYSA-N 0 3 312.797 2.277 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cn2ncc3ccccc32)C[C@H]1C ZINC000947820525 783238806 /nfs/dbraw/zinc/23/88/06/783238806.db2.gz MDIHQNWOJCZZJO-NVXWUHKLSA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001089611089 783271928 /nfs/dbraw/zinc/27/19/28/783271928.db2.gz OPWYIPBOIBIVQK-OAHLLOKOSA-N 0 3 316.449 2.216 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC#CC)[C@H](C)C1 ZINC000947974864 783281736 /nfs/dbraw/zinc/28/17/36/783281736.db2.gz HNUUENBGOMVUEI-APWZRJJASA-N 0 3 308.425 2.203 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001089629081 783297276 /nfs/dbraw/zinc/29/72/76/783297276.db2.gz OTKHBEPCVUNNAW-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001089645634 783317022 /nfs/dbraw/zinc/31/70/22/783317022.db2.gz WEVKVTFMBUAJGU-DAYGRLMNSA-N 0 3 306.450 2.206 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3n(c2)CCCC3)C[C@H]1C ZINC000948105316 783324084 /nfs/dbraw/zinc/32/40/84/783324084.db2.gz URTNMRJXSHVNBM-WBVHZDCISA-N 0 3 313.445 2.430 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089657203 783330356 /nfs/dbraw/zinc/33/03/56/783330356.db2.gz AXMBDGKGZUHUIY-HZPDHXFCSA-N 0 3 307.482 2.264 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001073876514 790933027 /nfs/dbraw/zinc/93/30/27/790933027.db2.gz FHHPARJFAOZWMM-KRWDZBQOSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089670734 783341401 /nfs/dbraw/zinc/34/14/01/783341401.db2.gz HBDWHVBBLZYOOR-AWEZNQCLSA-N 0 3 305.397 2.398 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001089691607 783356633 /nfs/dbraw/zinc/35/66/33/783356633.db2.gz TUZJQGKFWNBLIT-GFCCVEGCSA-N 0 3 308.401 2.345 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccncn1 ZINC001089712075 783374698 /nfs/dbraw/zinc/37/46/98/783374698.db2.gz KDRUZHOJQFKDBC-AWEZNQCLSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)CC2CCOCC2)CC1 ZINC000948239922 783387613 /nfs/dbraw/zinc/38/76/13/783387613.db2.gz BIPKAXQJMXHKFF-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2nn(C)cc2Cl)CC1 ZINC000948405714 783456553 /nfs/dbraw/zinc/45/65/53/783456553.db2.gz XFAFREGFRFETJK-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN CCCCO[C@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001124459862 783544259 /nfs/dbraw/zinc/54/42/59/783544259.db2.gz RUCIPPWDAQOTPJ-GFCCVEGCSA-N 0 3 309.435 2.031 20 30 DEEDHN C=C(C)C[NH+]1CCC(NC(=O)c2c([O-])cccc2OC)CC1 ZINC000824792597 783606114 /nfs/dbraw/zinc/60/61/14/783606114.db2.gz LBCNRNKINNVMDS-UHFFFAOYSA-N 0 3 304.390 2.171 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC000966323291 783636040 /nfs/dbraw/zinc/63/60/40/783636040.db2.gz GMYOPIDEFDTXGT-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001066245371 783657548 /nfs/dbraw/zinc/65/75/48/783657548.db2.gz HKEZPHLTJISOFD-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCCF)CC[C@H]1C ZINC000966695325 783735389 /nfs/dbraw/zinc/73/53/89/783735389.db2.gz PPHDIUHPDRNSIQ-HUUCEWRRSA-N 0 3 307.413 2.474 20 30 DEEDHN CN(CCO)CCN(C)c1c(C#N)cnc2c(Cl)cccc21 ZINC000828760149 783855732 /nfs/dbraw/zinc/85/57/32/783855732.db2.gz RZOXQZZEJXSRJL-UHFFFAOYSA-N 0 3 318.808 2.120 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085598022 783871937 /nfs/dbraw/zinc/87/19/37/783871937.db2.gz LJHGCVYGVHZISC-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001085605346 783878936 /nfs/dbraw/zinc/87/89/36/783878936.db2.gz HNNMMFMGNWFEJB-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC000967092179 783881376 /nfs/dbraw/zinc/88/13/76/783881376.db2.gz WMENSYSLDFZOSA-SUMWQHHRSA-N 0 3 312.417 2.269 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085615036 783888843 /nfs/dbraw/zinc/88/88/43/783888843.db2.gz AYKVPBQPEBRIKB-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967264159 783915030 /nfs/dbraw/zinc/91/50/30/783915030.db2.gz HHKDFWWRNKQRRI-WMLDXEAASA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001085688957 783970035 /nfs/dbraw/zinc/97/00/35/783970035.db2.gz VLWZAORCAPROHE-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001085692587 783976532 /nfs/dbraw/zinc/97/65/32/783976532.db2.gz LVLOIYMUPDITBJ-AWEZNQCLSA-N 0 3 316.449 2.401 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1CC ZINC001085694359 783978244 /nfs/dbraw/zinc/97/82/44/783978244.db2.gz FBGOARZFQZONCD-AWEZNQCLSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1CCC ZINC001085693449 783978589 /nfs/dbraw/zinc/97/85/89/783978589.db2.gz HIFIUNRDVNYFTG-HNNXBMFYSA-N 0 3 318.465 2.485 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCO2 ZINC001085836415 784119216 /nfs/dbraw/zinc/11/92/16/784119216.db2.gz IUXAZWHDCOXXHX-MRXNPFEDSA-N 0 3 300.402 2.344 20 30 DEEDHN C=CCCC1(C(=O)N[C@H]2CCN(CC=C(C)C)C[C@H]2O)CC1 ZINC001099999069 784129255 /nfs/dbraw/zinc/12/92/55/784129255.db2.gz REZOKHBNMDTNPO-JKSUJKDBSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@H]2CCN2CC2CC2)cc1 ZINC001085857905 784145719 /nfs/dbraw/zinc/14/57/19/784145719.db2.gz KRQMARMSGGPSBU-QGZVFWFLSA-N 0 3 312.413 2.255 20 30 DEEDHN CN(C)[C@H]1CCCC[C@@H]1NC(=O)/C=C/C(=O)c1ccccc1 ZINC001144713850 791003036 /nfs/dbraw/zinc/00/30/36/791003036.db2.gz AGMKHQGKSRVSEY-XADBSNKSSA-N 0 3 300.402 2.415 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)nn(CC)c1C ZINC001085876735 784168568 /nfs/dbraw/zinc/16/85/68/784168568.db2.gz IWMRHXMTESDDDK-OAHLLOKOSA-N 0 3 304.438 2.242 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001085946670 784240875 /nfs/dbraw/zinc/24/08/75/784240875.db2.gz PAWFJHUSUHSGGR-DLBZAZTESA-N 0 3 313.445 2.295 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(OC)cc(OC)c1 ZINC001085944863 784242394 /nfs/dbraw/zinc/24/23/94/784242394.db2.gz TUWUNEWAEOQOFH-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085959013 784256872 /nfs/dbraw/zinc/25/68/72/784256872.db2.gz QDKJWFFPWHHUJP-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968325673 784290148 /nfs/dbraw/zinc/29/01/48/784290148.db2.gz AWPFRSRBRYYRRB-GDBMZVCRSA-N 0 3 301.434 2.051 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1N(C)C ZINC001085999048 784303042 /nfs/dbraw/zinc/30/30/42/784303042.db2.gz XPRDMEDHVOSTEY-HNNXBMFYSA-N 0 3 301.434 2.475 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001066360032 784308716 /nfs/dbraw/zinc/30/87/16/784308716.db2.gz SJAQUBIDKJXGPM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC000968354261 784318476 /nfs/dbraw/zinc/31/84/76/784318476.db2.gz PJGKZHBWQCHVFD-RDTXWAMCSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OCC#C)cc2)C1 ZINC000968391728 784351274 /nfs/dbraw/zinc/35/12/74/784351274.db2.gz UQACJUPVGOXERL-APWZRJJASA-N 0 3 324.424 2.162 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC000968461041 784399714 /nfs/dbraw/zinc/39/97/14/784399714.db2.gz ZIQCFONVNWJTER-IAGOWNOFSA-N 0 3 307.482 2.121 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968509157 784435075 /nfs/dbraw/zinc/43/50/75/784435075.db2.gz FWZJQKUTMHIVKP-GUYCJALGSA-N 0 3 324.428 2.335 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)CC(F)(F)F)c(F)c1 ZINC001155361798 784453539 /nfs/dbraw/zinc/45/35/39/784453539.db2.gz MHBPYTSZDPYLQM-UHFFFAOYSA-N 0 3 317.286 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC000968603187 784496323 /nfs/dbraw/zinc/49/63/23/784496323.db2.gz VMXXCFHWNKEADT-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001086235895 784509874 /nfs/dbraw/zinc/50/98/74/784509874.db2.gz RNFIWIBCYGXFTG-MQYQWHSLSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC000968885254 784636809 /nfs/dbraw/zinc/63/68/09/784636809.db2.gz QCUHFMKWOZYJKL-HNNXBMFYSA-N 0 3 317.433 2.248 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1C[C@H](NCc2ccccn2)C1 ZINC001086387506 784642143 /nfs/dbraw/zinc/64/21/43/784642143.db2.gz HKADYCAKTIDCKL-JCNLHEQBSA-N 0 3 324.428 2.367 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ncc(C)cc2OC)C1 ZINC001086388470 784644328 /nfs/dbraw/zinc/64/43/28/784644328.db2.gz FUQCQZKAPGKKDI-JOCQHMNTSA-N 0 3 323.824 2.249 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccnc(OC)n1 ZINC000968947840 784664894 /nfs/dbraw/zinc/66/48/94/784664894.db2.gz XBMMXXRTXYFSME-AWEZNQCLSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001086421539 784708011 /nfs/dbraw/zinc/70/80/11/784708011.db2.gz SHDUKNYTPKHGRI-XNRPHZJLSA-N 0 3 320.820 2.227 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC000969067205 784712692 /nfs/dbraw/zinc/71/26/92/784712692.db2.gz MJGRGPVQSKOGQC-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC000969088577 784721402 /nfs/dbraw/zinc/72/14/02/784721402.db2.gz SEYQDTPIWGZGMB-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)CC2CCC2)c(F)c1 ZINC001156185789 784878305 /nfs/dbraw/zinc/87/83/05/784878305.db2.gz HFRMBGZZEWTBBH-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108397185 784927229 /nfs/dbraw/zinc/92/72/29/784927229.db2.gz QCOQBIAOKADDRM-QAPCUYQASA-N 0 3 319.449 2.499 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H](Oc2cnccn2)C1 ZINC001171230128 791072496 /nfs/dbraw/zinc/07/24/96/791072496.db2.gz AWIXPIJVQLBGEL-WMLDXEAASA-N 0 3 308.385 2.433 20 30 DEEDHN N#Cc1ccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169025942 785018051 /nfs/dbraw/zinc/01/80/51/785018051.db2.gz KDSIWWUNCGZCEU-NVXWUHKLSA-N 0 3 314.389 2.126 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001008002214 785073224 /nfs/dbraw/zinc/07/32/24/785073224.db2.gz ZBEOWOQONNSPFQ-MRXNPFEDSA-N 0 3 304.438 2.163 20 30 DEEDHN Cc1cc(CNCCCC[C@@H](C)NC(=O)CSCC#N)on1 ZINC001169258859 785120611 /nfs/dbraw/zinc/12/06/11/785120611.db2.gz YWGFYJYDRNQVTQ-GFCCVEGCSA-N 0 3 324.450 2.004 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001008509486 785226174 /nfs/dbraw/zinc/22/61/74/785226174.db2.gz AVCWXWICKPHLCE-SFHVURJKSA-N 0 3 323.440 2.280 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001009591598 785488694 /nfs/dbraw/zinc/48/86/94/785488694.db2.gz YMAHEAOECKXZNV-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001009693707 785505088 /nfs/dbraw/zinc/50/50/88/785505088.db2.gz WWUCNWZNTWZXNO-YLJYHZDGSA-N 0 3 310.441 2.494 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)C=C2CCC2)c(F)c1 ZINC001156453665 785521475 /nfs/dbraw/zinc/52/14/75/785521475.db2.gz AVXCQTUZYGLYLZ-UHFFFAOYSA-N 0 3 301.365 2.404 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001091395435 791132385 /nfs/dbraw/zinc/13/23/85/791132385.db2.gz NEDPHFGUEJKMDO-JXQTWKCFSA-N 0 3 312.841 2.040 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CC(C)(C)CO1 ZINC001109055232 785689270 /nfs/dbraw/zinc/68/92/70/785689270.db2.gz UJZCIKJGTHVCCN-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001109209173 785756446 /nfs/dbraw/zinc/75/64/46/785756446.db2.gz LYMBBFQSUKFRSC-QZWWFDLISA-N 0 3 304.434 2.081 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CC(C)(C)CO1 ZINC001109250945 785782660 /nfs/dbraw/zinc/78/26/60/785782660.db2.gz WPAYICDADNUMJY-QZWWFDLISA-N 0 3 318.461 2.182 20 30 DEEDHN CCc1ccccc1CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010644434 785883005 /nfs/dbraw/zinc/88/30/05/785883005.db2.gz PMDHRWSVGANDLZ-KRWDZBQOSA-N 0 3 322.412 2.453 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCC(F)(F)F)C2 ZINC001109477399 785894747 /nfs/dbraw/zinc/89/47/47/785894747.db2.gz RARIKMLYTFTFDK-AGIUHOORSA-N 0 3 320.355 2.253 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccc(C)n1)C2 ZINC001109594962 785948989 /nfs/dbraw/zinc/94/89/89/785948989.db2.gz KBHRKPGYUNAFQC-NCOADZHNSA-N 0 3 316.449 2.440 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001109607368 785958894 /nfs/dbraw/zinc/95/88/94/785958894.db2.gz UXGJYAXPJIRGQQ-IKGGRYGDSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001066987389 785964511 /nfs/dbraw/zinc/96/45/11/785964511.db2.gz RHSVZEXPLYZYDA-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)n1)C2 ZINC001109838892 786077692 /nfs/dbraw/zinc/07/76/92/786077692.db2.gz RRZKUVMSVOSLHJ-YCPHGPKFSA-N 0 3 319.453 2.121 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCCOC1)C2 ZINC001109908075 786098791 /nfs/dbraw/zinc/09/87/91/786098791.db2.gz OBJOFSQCRMOIBH-YVSFHVDLSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1scnc1C)C2 ZINC001109920122 786102806 /nfs/dbraw/zinc/10/28/06/786102806.db2.gz QKJORIMYQSTCJJ-ILXRZTDVSA-N 0 3 317.458 2.129 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1)C2 ZINC001110030723 786134238 /nfs/dbraw/zinc/13/42/38/786134238.db2.gz MVHJDEAWEQQDIU-PVAVHDDUSA-N 0 3 300.402 2.363 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001086555680 786213319 /nfs/dbraw/zinc/21/33/19/786213319.db2.gz ROKOQVVCGYBGNR-JOCQHMNTSA-N 0 3 323.824 2.255 20 30 DEEDHN C#CCOCCC(=O)N1CCN(CC2CCC(C)(C)CC2)CC1 ZINC001112843893 786253275 /nfs/dbraw/zinc/25/32/75/786253275.db2.gz LHLWZWYNTITIHY-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCCN1CCN(C(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC001112852119 786255254 /nfs/dbraw/zinc/25/52/54/786255254.db2.gz QPVNQMKFLKWKHE-UHFFFAOYSA-N 0 3 304.438 2.332 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccon2)C1 ZINC001086577471 786399076 /nfs/dbraw/zinc/39/90/76/786399076.db2.gz MYCIGUQWLKYWTF-DOTOQJQBSA-N 0 3 311.385 2.449 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001113111414 786403886 /nfs/dbraw/zinc/40/38/86/786403886.db2.gz XUJFDCPKNWPKQT-AWEZNQCLSA-N 0 3 317.433 2.462 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cc(CC)nn2C)CC1 ZINC001113134231 786412047 /nfs/dbraw/zinc/41/20/47/786412047.db2.gz YZYBDQLGTSJHSQ-OAHLLOKOSA-N 0 3 318.465 2.024 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001014412532 786576438 /nfs/dbraw/zinc/57/64/38/786576438.db2.gz IIQZKUNFCVRFHO-RBSFLKMASA-N 0 3 302.443 2.374 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001014444293 786588797 /nfs/dbraw/zinc/58/87/97/786588797.db2.gz QDLLTBUHCMQGOZ-TZMCWYRMSA-N 0 3 321.446 2.375 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2CCc3ccccc3CC2)C1 ZINC001015035327 786872164 /nfs/dbraw/zinc/87/21/64/786872164.db2.gz ZHPSAPHLEGYMMY-IBGZPJMESA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc3cc(F)ccc23)C1 ZINC001015035361 786872379 /nfs/dbraw/zinc/87/23/79/786872379.db2.gz WDTASWUKYHMPCW-ZDUSSCGKSA-N 0 3 300.333 2.399 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001015109921 786898554 /nfs/dbraw/zinc/89/85/54/786898554.db2.gz XKTDBGLEHULFAJ-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc(-c2ccccc2)c1C#N ZINC001170337177 786903425 /nfs/dbraw/zinc/90/34/25/786903425.db2.gz NQIJPINZIBAWFG-UHFFFAOYSA-N 0 3 319.368 2.321 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(F)(F)F)cc1 ZINC001113979616 787028210 /nfs/dbraw/zinc/02/82/10/787028210.db2.gz OGFJCTTWMFEVHV-NHAGDIPZSA-N 0 3 323.318 2.057 20 30 DEEDHN COc1cccc([C@@H](C)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)c1 ZINC001114257565 787188431 /nfs/dbraw/zinc/18/84/31/787188431.db2.gz BGVLVWAPEFNAAI-ULLKRIBWSA-N 0 3 324.424 2.216 20 30 DEEDHN Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)c(C)s1 ZINC001114257542 787188757 /nfs/dbraw/zinc/18/87/57/787188757.db2.gz AUMSJNVYWNEUDY-VQFNDLOPSA-N 0 3 314.454 2.325 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](OCC)C1=CCCC1 ZINC001114284859 787197892 /nfs/dbraw/zinc/19/78/92/787197892.db2.gz BQYUUHQSGOXVJL-UIBIWLFHSA-N 0 3 304.434 2.124 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(F)cc(OC)cc2F)C1 ZINC001015737329 787208762 /nfs/dbraw/zinc/20/87/62/787208762.db2.gz GUIHVTQVQDADIH-NSHDSACASA-N 0 3 310.344 2.354 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)c1ccncc1 ZINC001130195197 787311345 /nfs/dbraw/zinc/31/13/45/787311345.db2.gz NGKDYUWWQODLFY-OAHLLOKOSA-N 0 3 322.412 2.353 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)s2)[nH]1 ZINC001130313723 787343093 /nfs/dbraw/zinc/34/30/93/787343093.db2.gz NBJRYMBDSQWHER-UHFFFAOYSA-N 0 3 302.403 2.084 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCC(C)C)C1 ZINC001130337731 787351353 /nfs/dbraw/zinc/35/13/53/787351353.db2.gz IVKCZBRRNFKOPQ-AWEZNQCLSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCC2CC2)C1 ZINC001130365473 787366693 /nfs/dbraw/zinc/36/66/93/787366693.db2.gz UXVZFFUHILMULU-AWEZNQCLSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(F)CCCC2)C1 ZINC001130401347 787375962 /nfs/dbraw/zinc/37/59/62/787375962.db2.gz ABZUXXKUNQKQBQ-CYBMUJFWSA-N 0 3 320.412 2.284 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001090485303 787406543 /nfs/dbraw/zinc/40/65/43/787406543.db2.gz GMDPGLOAWYUKQU-HOTGVXAUSA-N 0 3 320.408 2.184 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3cc(C)nc3c1)C2 ZINC001096011504 787449583 /nfs/dbraw/zinc/44/95/83/787449583.db2.gz DZTZQBKGQKPPLS-IKGGRYGDSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C=C(C)C)n1 ZINC001130875794 787489002 /nfs/dbraw/zinc/48/90/02/787489002.db2.gz BSOIWGJQUYFKGK-LSDHHAIUSA-N 0 3 318.421 2.063 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001096146301 787529046 /nfs/dbraw/zinc/52/90/46/787529046.db2.gz WASARJVEGYIFSV-YXMSTPNBSA-N 0 3 310.413 2.049 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCOCC)C[C@H](C)O2 ZINC001131639120 787669269 /nfs/dbraw/zinc/66/92/69/787669269.db2.gz SMGKDYLHPZMKOM-WMZOPIPTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC(F)F)C[C@@H](C)O2 ZINC001131669249 787677980 /nfs/dbraw/zinc/67/79/80/787677980.db2.gz KOCKMAHXYZXIEA-CJNGLKHVSA-N 0 3 316.392 2.300 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 ZINC001096530147 787711980 /nfs/dbraw/zinc/71/19/80/787711980.db2.gz VQHOLHJUPIADGK-AABGKKOBSA-N 0 3 322.452 2.463 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccc(C)n2C)CC[C@@H]1C ZINC001131796335 787741850 /nfs/dbraw/zinc/74/18/50/787741850.db2.gz FEEMIFRJNMHQAU-JKSUJKDBSA-N 0 3 319.449 2.119 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(COC)n1)C2 ZINC001096650429 787781630 /nfs/dbraw/zinc/78/16/30/787781630.db2.gz RLNZGIBIJGBBCZ-DYEKYZERSA-N 0 3 321.446 2.201 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2c(C)ccn2C)CC[C@@H]1C ZINC001131985018 787860461 /nfs/dbraw/zinc/86/04/61/787860461.db2.gz SHHHCSPZDAHISJ-JKSUJKDBSA-N 0 3 319.449 2.119 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCc2ccnn2C)C1 ZINC001132072937 787917262 /nfs/dbraw/zinc/91/72/62/787917262.db2.gz RSZLEMSFJZKUGK-CVEARBPZSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2C=CC=CC=C2)CC[C@@H]1C ZINC001132065931 787924252 /nfs/dbraw/zinc/92/42/52/787924252.db2.gz ZNEZMSYKHZXISN-FUHWJXTLSA-N 0 3 316.445 2.457 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCOCC=C)C2)CCC1 ZINC001132100906 787926968 /nfs/dbraw/zinc/92/69/68/787926968.db2.gz CQMOGELNZDAWPF-SJORKVTESA-N 0 3 318.461 2.352 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCn2nc(C)cc2C)CC[C@@H]1C ZINC001132210270 787966378 /nfs/dbraw/zinc/96/63/78/787966378.db2.gz FTCNYKREHYANGD-DOTOQJQBSA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132253184 787991714 /nfs/dbraw/zinc/99/17/14/787991714.db2.gz PJYZBYHWGOIZSY-CVEARBPZSA-N 0 3 304.438 2.209 20 30 DEEDHN C#CCCCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132398753 788056905 /nfs/dbraw/zinc/05/69/05/788056905.db2.gz NTQDKZKWBUERRG-UHFFFAOYSA-N 0 3 317.389 2.384 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3cccn3cn1)C2 ZINC001097313877 788058958 /nfs/dbraw/zinc/05/89/58/788058958.db2.gz MKFNYJWBQCIUBK-INMHGKMJSA-N 0 3 310.401 2.246 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CC[C@H]1C ZINC001132402984 788059331 /nfs/dbraw/zinc/05/93/31/788059331.db2.gz OOHDBBFIVKEPAI-HUUCEWRRSA-N 0 3 317.433 2.232 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2c[nH]cc2C)CC[C@H]1C ZINC001132482519 788097319 /nfs/dbraw/zinc/09/73/19/788097319.db2.gz WLYPWSOHRZQECO-CABCVRRESA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2c(C)n[nH]c2C)CC[C@@H]1C ZINC001132481557 788098460 /nfs/dbraw/zinc/09/84/60/788098460.db2.gz HJBZXXVBRQDTIY-SWLSCSKDSA-N 0 3 304.438 2.114 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccccc2F)CC[C@@H]1C ZINC001132490667 788102781 /nfs/dbraw/zinc/10/27/81/788102781.db2.gz XBPOUNIRMVKGDE-GJZGRUSLSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2cc(C)no2)C1 ZINC001132786134 788191598 /nfs/dbraw/zinc/19/15/98/788191598.db2.gz OTVHMOKMNSWBIF-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN Cc1cc(CNC[C@H]2CN(C(=O)C#CC(C)C)CC[C@H]2C)on1 ZINC001132808716 788203815 /nfs/dbraw/zinc/20/38/15/788203815.db2.gz DYQNKMAPTOSZOH-ZBFHGGJFSA-N 0 3 317.433 2.217 20 30 DEEDHN CCn1ccnc1CNCCCC[C@@H](C)NC(=O)C#CC(C)C ZINC001170637972 788218816 /nfs/dbraw/zinc/21/88/16/788218816.db2.gz JAABNBIHOZSESZ-MRXNPFEDSA-N 0 3 318.465 2.327 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC[C@H](F)C2)cc1F ZINC001132955361 788243036 /nfs/dbraw/zinc/24/30/36/788243036.db2.gz VUORCCQIDFBYOZ-OCCSQVGLSA-N 0 3 307.344 2.041 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(OC)c1)C2 ZINC001097899004 788265512 /nfs/dbraw/zinc/26/55/12/788265512.db2.gz WYFYFGGTSDJILL-BMFZPTHFSA-N 0 3 316.376 2.193 20 30 DEEDHN C=CCCCC(=O)NCCN[C@H](C)C(=O)NC1CCC(C)CC1 ZINC001133157998 788298910 /nfs/dbraw/zinc/29/89/10/788298910.db2.gz WCRKMNKOLBRHMI-HWOWSKLDSA-N 0 3 323.481 2.132 20 30 DEEDHN CCn1ccnc1CNCCCC[C@@H](C)NC(=O)C#CC1CC1 ZINC001170665140 788310376 /nfs/dbraw/zinc/31/03/76/788310376.db2.gz KWNFOWUHHWJQLD-OAHLLOKOSA-N 0 3 316.449 2.081 20 30 DEEDHN C=C1CCC(C(=O)NCCNCC(=O)N(CCC)CCC)CC1 ZINC001133362705 788384485 /nfs/dbraw/zinc/38/44/85/788384485.db2.gz RPTWCTLWXYPQFV-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc3c[nH]nc31)C2 ZINC001098037646 788387102 /nfs/dbraw/zinc/38/71/02/788387102.db2.gz XPDJEDXIRVMLBF-OIISXLGYSA-N 0 3 322.412 2.230 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001133383089 788395074 /nfs/dbraw/zinc/39/50/74/788395074.db2.gz HAXHMPRMWFVMPS-YJBOKZPZSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2occc2Cl)ccc1F ZINC001133439700 788421953 /nfs/dbraw/zinc/42/19/53/788421953.db2.gz VWPJKBMMEHOBBW-UHFFFAOYSA-N 0 3 321.739 2.463 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1ccon1)NCc1ccccc1C#N ZINC001133815930 788622752 /nfs/dbraw/zinc/62/27/52/788622752.db2.gz GQHCDCIQXPWNBC-OLZOCXBDSA-N 0 3 312.373 2.233 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)cn1 ZINC001134119218 788771589 /nfs/dbraw/zinc/77/15/89/788771589.db2.gz NGCNQTKDIVXZKG-CABCVRRESA-N 0 3 316.449 2.352 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)C#CC1CC1)NCc1nccn1C(F)F ZINC001134326715 788872650 /nfs/dbraw/zinc/87/26/50/788872650.db2.gz VAYJPHCEBOSUEY-VXGBXAGGSA-N 0 3 324.375 2.065 20 30 DEEDHN CCc1nocc1CN[C@H](C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001134330284 788877140 /nfs/dbraw/zinc/87/71/40/788877140.db2.gz XVXWLAMLNDBGBK-OLZOCXBDSA-N 0 3 303.406 2.023 20 30 DEEDHN COc1cccc(C(=O)NCCNCc2ccc(C#N)cc2)c1C ZINC001134387500 788906979 /nfs/dbraw/zinc/90/69/79/788906979.db2.gz MPFWFXXWXWIXFD-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN COCC#CCNCCNC(=O)[C@@H](CC1CCCC1)C(C)C ZINC001134693211 789033313 /nfs/dbraw/zinc/03/33/13/789033313.db2.gz PGJIRBZZUFPIHG-KRWDZBQOSA-N 0 3 308.466 2.195 20 30 DEEDHN C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001134726744 789049544 /nfs/dbraw/zinc/04/95/44/789049544.db2.gz SYIRKMZRGWYLIQ-KBPBESRZSA-N 0 3 320.437 2.415 20 30 DEEDHN CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001134880287 789121888 /nfs/dbraw/zinc/12/18/88/789121888.db2.gz MMBCYUITPNIXTL-GHMZBOCLSA-N 0 3 322.840 2.450 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccn1CC ZINC001135234984 789253370 /nfs/dbraw/zinc/25/33/70/789253370.db2.gz FNVCAWCDJCCURF-HOTGVXAUSA-N 0 3 318.465 2.470 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC=CCC2)C1 ZINC001070395992 789308370 /nfs/dbraw/zinc/30/83/70/789308370.db2.gz DFEKNTXSEQQADR-LSDHHAIUSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001070403177 789311971 /nfs/dbraw/zinc/31/19/71/789311971.db2.gz MIUZIWBTCTXKPW-OJLVUWQFSA-N 0 3 314.433 2.047 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1ccnnc1)NCc1ccccc1C#N ZINC001135539865 789388098 /nfs/dbraw/zinc/38/80/98/789388098.db2.gz GOFOPZYGROWMAF-KGLIPLIRSA-N 0 3 323.400 2.035 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001070822746 789464040 /nfs/dbraw/zinc/46/40/40/789464040.db2.gz OMLJEZLMAWRZMV-WBVHZDCISA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070863309 789471693 /nfs/dbraw/zinc/47/16/93/789471693.db2.gz SIGWCGBZOITQMO-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001071133325 789548150 /nfs/dbraw/zinc/54/81/50/789548150.db2.gz ZIMOTXKWNICMCO-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C=C1CCC1)C[C@@H](C)O2 ZINC001071145893 789557373 /nfs/dbraw/zinc/55/73/73/789557373.db2.gz CTOZSDVJESWPBX-CRAIPNDOSA-N 0 3 304.434 2.365 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001086805912 789562266 /nfs/dbraw/zinc/56/22/66/789562266.db2.gz QAOSYSJJDOGKAV-QWHCGFSZSA-N 0 3 310.829 2.267 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@H](C)O2 ZINC001071193004 789582557 /nfs/dbraw/zinc/58/25/57/789582557.db2.gz VEMJWHYDZWBBGO-GUYCJALGSA-N 0 3 321.396 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(=C)C)C2)C1 ZINC001071196898 789586695 /nfs/dbraw/zinc/58/66/95/789586695.db2.gz KFNSWLSTUKVYSU-CRAIPNDOSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C[C@@H](C)O2 ZINC001071201780 789588042 /nfs/dbraw/zinc/58/80/42/789588042.db2.gz KSVZVLUQOLIGMI-GJGATLCTSA-N 0 3 318.461 2.300 20 30 DEEDHN CC(C)=CCN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[C@H]1C ZINC001071427876 789719117 /nfs/dbraw/zinc/71/91/17/789719117.db2.gz RMWGUQJZTRHUHI-HIFRSBDPSA-N 0 3 300.406 2.435 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)CC[C@H]1C ZINC001071555192 789776650 /nfs/dbraw/zinc/77/66/50/789776650.db2.gz BJMINAJSJAQIOA-HIFRSBDPSA-N 0 3 317.433 2.246 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)CC[C@@H]1C ZINC001071562002 789782470 /nfs/dbraw/zinc/78/24/70/789782470.db2.gz YHHCBQRTQRMMFX-ZFWWWQNUSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3nc[nH]c3n2)CC[C@@H]1C ZINC001071610329 789814076 /nfs/dbraw/zinc/81/40/76/789814076.db2.gz SIMGQNRGHBAIRQ-QWHCGFSZSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(OC)c2)CC[C@H]1C ZINC001071634728 789829477 /nfs/dbraw/zinc/82/94/77/789829477.db2.gz HSXRWSQFRHAKCW-HIFRSBDPSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(C)c(C)nc2C)CC[C@@H]1C ZINC001071666251 789851012 /nfs/dbraw/zinc/85/10/12/789851012.db2.gz LWCWOQSYKFGRGI-BLLLJJGKSA-N 0 3 314.433 2.008 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(OCC)no2)CC[C@@H]1C ZINC001071688870 789866511 /nfs/dbraw/zinc/86/65/11/789866511.db2.gz ANUBUBWKFMYBDQ-STQMWFEESA-N 0 3 307.394 2.232 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cn3ccnc23)CC[C@@H]1C ZINC001071695540 789871982 /nfs/dbraw/zinc/87/19/82/789871982.db2.gz RBHGXTXIVZWWQZ-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2cccc(OCC)n2)CC[C@H]1C ZINC001071697883 789873165 /nfs/dbraw/zinc/87/31/65/789873165.db2.gz HPSOTXRBGNEUPY-GDBMZVCRSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2c(F)cccc2F)CC[C@@H]1C ZINC001071772577 789912981 /nfs/dbraw/zinc/91/29/81/789912981.db2.gz MXEXCLPRMOFYKC-UONOGXRCSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)ncc2Cl)CC[C@@H]1C ZINC001071870441 789951301 /nfs/dbraw/zinc/95/13/01/789951301.db2.gz APXCUMXXLIOMOB-AAEUAGOBSA-N 0 3 320.824 2.044 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)COC3)CC[C@@H]1C ZINC001071886327 789959228 /nfs/dbraw/zinc/95/92/28/789959228.db2.gz BMFGQQSERPBYDG-KBXCAEBGSA-N 0 3 312.413 2.323 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cn2ncc3ccccc32)CC[C@@H]1C ZINC001071904799 789966974 /nfs/dbraw/zinc/96/69/74/789966974.db2.gz PBDREXXDQPESPX-DOTOQJQBSA-N 0 3 324.428 2.029 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001072354009 790123179 /nfs/dbraw/zinc/12/31/79/790123179.db2.gz CVSIQDZLZFGKBN-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001072558772 790178067 /nfs/dbraw/zinc/17/80/67/790178067.db2.gz BAPZYSLTCGAFAN-WHWKNOJMSA-N 0 3 309.413 2.394 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3csc([C@H](C)OC)n3)C2)C1 ZINC001072738468 790234273 /nfs/dbraw/zinc/23/42/73/790234273.db2.gz VLEVULGQNFGNOS-LBPRGKRZSA-N 0 3 321.446 2.184 20 30 DEEDHN C=CCCOCC(=O)N[C@H](C)C[C@H](C)NCc1conc1CC ZINC001146684198 791339956 /nfs/dbraw/zinc/33/99/56/791339956.db2.gz ZSSUKQWWEMFMBN-UONOGXRCSA-N 0 3 323.437 2.203 20 30 DEEDHN CC(C)c1ocnc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001146865095 791383396 /nfs/dbraw/zinc/38/33/96/791383396.db2.gz ZFOCNNLCVKXXQM-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001075032339 791437494 /nfs/dbraw/zinc/43/74/94/791437494.db2.gz PKTHJKVVSJBWJU-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@H](C)C1 ZINC001075140049 791479594 /nfs/dbraw/zinc/47/95/94/791479594.db2.gz SLZYYDUXMBYCSD-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1occc1C)C[C@H](C)O2 ZINC001098564731 791652371 /nfs/dbraw/zinc/65/23/71/791652371.db2.gz DRQMRRCQLPHIEZ-HNNXBMFYSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CC3(CC3)C1)C[C@@H](C)O2 ZINC001098639207 791666423 /nfs/dbraw/zinc/66/64/23/791666423.db2.gz NNZBKCHDSFOFGC-OAHLLOKOSA-N 0 3 318.461 2.445 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)n1cccc1 ZINC001148395845 791740313 /nfs/dbraw/zinc/74/03/13/791740313.db2.gz KRLXNIQFCZZESO-OAHLLOKOSA-N 0 3 310.401 2.217 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)cc1)n1cccc1 ZINC001148395844 791740315 /nfs/dbraw/zinc/74/03/15/791740315.db2.gz KRLXNIQFCZZESO-HNNXBMFYSA-N 0 3 310.401 2.217 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@]2(C)C1 ZINC001091721714 791747523 /nfs/dbraw/zinc/74/75/23/791747523.db2.gz JVZZYBXXQYRRSM-FMKPAKJESA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc(CC)n3)C[C@]2(C)C1 ZINC001091744358 791793685 /nfs/dbraw/zinc/79/36/85/791793685.db2.gz GXBQWNYGOSGOSG-BEFAXECRSA-N 0 3 311.429 2.061 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)SC)C2)CC1 ZINC001086905312 791844178 /nfs/dbraw/zinc/84/41/78/791844178.db2.gz XQWONDPAHWQAHH-HUUCEWRRSA-N 0 3 308.491 2.464 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001086907450 791845177 /nfs/dbraw/zinc/84/51/77/791845177.db2.gz UAOZHNBEOKNLLW-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccon3)C2)CC1 ZINC001086907645 791845553 /nfs/dbraw/zinc/84/55/53/791845553.db2.gz YHYZXFGDMKZCFU-AWEZNQCLSA-N 0 3 301.390 2.015 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCOC3)C2)CC1 ZINC001086908811 791845846 /nfs/dbraw/zinc/84/58/46/791845846.db2.gz IOPPVVWMXZGTTF-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(F)nc3)C2)CC1 ZINC001086910658 791847655 /nfs/dbraw/zinc/84/76/55/791847655.db2.gz YRMVEQFNFVAESI-CQSZACIVSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C3=CCOCC3)C2)CC1 ZINC001086918336 791851009 /nfs/dbraw/zinc/85/10/09/791851009.db2.gz KVJZAKDJDHSJPS-INIZCTEOSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC001086938593 791856199 /nfs/dbraw/zinc/85/61/99/791856199.db2.gz VEYCHLDKXRDECP-NCOADZHNSA-N 0 3 300.446 2.369 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3=CCOCC3)C2)CC1 ZINC001086941325 791856758 /nfs/dbraw/zinc/85/67/58/791856758.db2.gz QNQKLGOCVORRIX-INIZCTEOSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCCOC3)C2)CC1 ZINC001086957208 791864428 /nfs/dbraw/zinc/86/44/28/791864428.db2.gz HQHHBOCIEZMXOC-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@H]1CN(O)C(=O)[C@H]1Nc1cccc(N2CCCC[C@@H]2C)n1 ZINC001171362300 791871624 /nfs/dbraw/zinc/87/16/24/791871624.db2.gz AYOGCPFNZMVINO-HUBLWGQQSA-N 0 3 304.394 2.108 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4oc(C)nc4c3)C[C@]2(C)C1 ZINC001091772053 791882003 /nfs/dbraw/zinc/88/20/03/791882003.db2.gz NFZJGRICDWWVCO-BEFAXECRSA-N 0 3 323.396 2.163 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4ccncc4c3)C[C@]2(C)C1 ZINC001092175523 791937485 /nfs/dbraw/zinc/93/74/85/791937485.db2.gz SJBOQGUVDRHZNI-QUCCMNQESA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC4CCC3CC4)C[C@]2(C)C1 ZINC001092305090 791974377 /nfs/dbraw/zinc/97/43/77/791974377.db2.gz ZXMWHRHEPHHRFX-OQFVWZTMSA-N 0 3 300.446 2.226 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001098916083 791982890 /nfs/dbraw/zinc/98/28/90/791982890.db2.gz LWOJTDMINMBCLO-UGSOOPFHSA-N 0 3 316.449 2.478 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=C)C ZINC001099074537 792077036 /nfs/dbraw/zinc/07/70/36/792077036.db2.gz OOIDMNDULSVBDY-HOTGVXAUSA-N 0 3 306.450 2.208 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ccncn1 ZINC001099098397 792091219 /nfs/dbraw/zinc/09/12/19/792091219.db2.gz OYLPKRXXURPNKI-INIZCTEOSA-N 0 3 316.449 2.202 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CC)on2)C1 ZINC001099125990 792105655 /nfs/dbraw/zinc/10/56/55/792105655.db2.gz GXFKGZFVBLURFV-GUYCJALGSA-N 0 3 303.406 2.397 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cncc3sccc32)[C@H](C)C1 ZINC001092910698 792156666 /nfs/dbraw/zinc/15/66/66/792156666.db2.gz IUAWVAAVCFINTM-CHWSQXEVSA-N 0 3 313.426 2.227 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C(F)(F)F ZINC001099342938 792176923 /nfs/dbraw/zinc/17/69/23/792176923.db2.gz BOINBNYJWFNTOI-CHWSQXEVSA-N 0 3 315.339 2.492 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccn(C(CC)CC)n2)[C@H](C)C1 ZINC001093023326 792204278 /nfs/dbraw/zinc/20/42/78/792204278.db2.gz HODDAAHGSDNDRX-HUUCEWRRSA-N 0 3 316.449 2.175 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)/C=C/C2CC2)CC2(CCOCC2)C1 ZINC001099574861 792248266 /nfs/dbraw/zinc/24/82/66/792248266.db2.gz NWBQVCJMPXOZOF-JFDDCEBESA-N 0 3 304.434 2.126 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C[C@H]1O ZINC001099726552 792329092 /nfs/dbraw/zinc/32/90/92/792329092.db2.gz IBOARWHPCSHTBR-ZWKOTPCHSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C[C@@H]1O ZINC001099729078 792332759 /nfs/dbraw/zinc/33/27/59/792332759.db2.gz BEZWVCBQRGADAS-MSOLQXFVSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C[C@H]1O ZINC001099728592 792332866 /nfs/dbraw/zinc/33/28/66/792332866.db2.gz XTMYTBWLHUXQJR-ZWKOTPCHSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001093370192 792346104 /nfs/dbraw/zinc/34/61/04/792346104.db2.gz OZXGTWPACVODQS-HUUCEWRRSA-N 0 3 322.399 2.368 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](O)C1 ZINC001100064806 792460702 /nfs/dbraw/zinc/46/07/02/792460702.db2.gz RMNMPADEHKOEBI-NWDGAFQWSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCC(=O)NCC1CC(N[C@H](C)c2cnc(C)cn2)C1 ZINC001100176920 792502264 /nfs/dbraw/zinc/50/22/64/792502264.db2.gz NAAJMPBLYJFOPM-WLYUNCDWSA-N 0 3 302.422 2.297 20 30 DEEDHN C=CCOCC(=O)NCC1CC(NCc2ccc(F)cc2F)C1 ZINC001100186951 792506736 /nfs/dbraw/zinc/50/67/36/792506736.db2.gz RMZKYLHAYJWXLD-UHFFFAOYSA-N 0 3 324.371 2.152 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC2(OC)CCC2)C1 ZINC001100283180 792564386 /nfs/dbraw/zinc/56/43/86/792564386.db2.gz DQQWNSIGTBHLRY-UHFFFAOYSA-N 0 3 300.830 2.183 20 30 DEEDHN CC(C)C#CC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001100310191 792582768 /nfs/dbraw/zinc/58/27/68/792582768.db2.gz HHQQRBYDQQGUIP-UHFFFAOYSA-N 0 3 303.233 2.449 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100367698 792616083 /nfs/dbraw/zinc/61/60/83/792616083.db2.gz UGVVHXYTBAPVFC-UHFFFAOYSA-N 0 3 322.478 2.433 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100539984 792712004 /nfs/dbraw/zinc/71/20/04/792712004.db2.gz FVCAACPCCPAMKX-XUJLQICISA-N 0 3 314.857 2.452 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cc(OC)ccn2)C1 ZINC001100564507 792723822 /nfs/dbraw/zinc/72/38/22/792723822.db2.gz HQKLXOJLCOFLBM-UHFFFAOYSA-N 0 3 317.433 2.287 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100594775 792739790 /nfs/dbraw/zinc/73/97/90/792739790.db2.gz FECCKKHBYQWRQP-JEYLPNPQSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3cnoc3C)C2)C1 ZINC001100661218 792774042 /nfs/dbraw/zinc/77/40/42/792774042.db2.gz IFFKQKMKKNTTAS-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001100879763 792892686 /nfs/dbraw/zinc/89/26/86/792892686.db2.gz UPFOIZQCXJEQEI-HSBZDZAISA-N 0 3 323.824 2.086 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3nccs3)CCC[C@@H]12 ZINC001094545388 792975507 /nfs/dbraw/zinc/97/55/07/792975507.db2.gz WNIPYCLCXSWLDF-CZUORRHYSA-N 0 3 303.431 2.141 20 30 DEEDHN C=CCCOCC(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001101057013 792992966 /nfs/dbraw/zinc/99/29/66/792992966.db2.gz GCXURMQTLDBMMZ-UHFFFAOYSA-N 0 3 323.462 2.029 20 30 DEEDHN C[C@H]1CCCN1CC(=O)NCCCNc1cccc(F)c1C#N ZINC001094780540 793083844 /nfs/dbraw/zinc/08/38/44/793083844.db2.gz RHCNLBLGLKWBTJ-ZDUSSCGKSA-N 0 3 318.396 2.100 20 30 DEEDHN C[C@H](C(=O)NCCCNCc1ccccc1C#N)c1cccnc1 ZINC001171493165 793100117 /nfs/dbraw/zinc/10/01/17/793100117.db2.gz HLLXVWPOBSUDGM-HNNXBMFYSA-N 0 3 322.412 2.353 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(F)F)C2 ZINC001094829567 793142231 /nfs/dbraw/zinc/14/22/31/793142231.db2.gz YYDZVNSPUJUMLM-GLQYFDAESA-N 0 3 319.355 2.292 20 30 DEEDHN CSCC(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001101703913 793329154 /nfs/dbraw/zinc/32/91/54/793329154.db2.gz IJPNTDKHFXSWLD-NVXWUHKLSA-N 0 3 316.470 2.085 20 30 DEEDHN CCC[C@@H](C)CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001101801388 793383128 /nfs/dbraw/zinc/38/31/28/793383128.db2.gz CFXFKPXHQXRGJG-BRWVUGGUSA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1C ZINC001101894692 793430477 /nfs/dbraw/zinc/43/04/77/793430477.db2.gz LVBRYMHNKFPVOK-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CC2(C)CCCC2)[C@H](C)C1 ZINC001101934815 793448372 /nfs/dbraw/zinc/44/83/72/793448372.db2.gz MXHDFMWMNAYEEW-IAGOWNOFSA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1CN(CCF)C[C@H]1C)OCC ZINC001102014226 793478560 /nfs/dbraw/zinc/47/85/60/793478560.db2.gz RBZIVCPHKQIESQ-RBSFLKMASA-N 0 3 300.418 2.011 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@H]2C=CCCC2)[C@H](C)C1 ZINC001102081084 793498438 /nfs/dbraw/zinc/49/84/38/793498438.db2.gz KVYWGLGPTBISBC-FGTMMUONSA-N 0 3 318.461 2.067 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102529544 793643666 /nfs/dbraw/zinc/64/36/66/793643666.db2.gz GVCCKYYSAZIEGP-IXDOHACOSA-N 0 3 322.493 2.393 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnn(C)c2C)C1 ZINC001102666279 793697166 /nfs/dbraw/zinc/69/71/66/793697166.db2.gz QWQRWPNLJROCEC-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CCOCC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001102774631 793750858 /nfs/dbraw/zinc/75/08/58/793750858.db2.gz QUEZUMBQWDLDNS-TZMCWYRMSA-N 0 3 300.830 2.016 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2=CCOCC2)C1 ZINC001102896036 793810725 /nfs/dbraw/zinc/81/07/25/793810725.db2.gz XGEAABQGLDZDPN-IUODEOHRSA-N 0 3 312.841 2.160 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnnc(C)c2)C1 ZINC001102911770 793819287 /nfs/dbraw/zinc/81/92/87/793819287.db2.gz DVVDEKQGCHXNRW-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOC)CCCC1)C2 ZINC001110177513 794114898 /nfs/dbraw/zinc/11/48/98/794114898.db2.gz VFOZAGOHAQWVRB-IKGGRYGDSA-N 0 3 318.461 2.328 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001176495083 794441196 /nfs/dbraw/zinc/44/11/96/794441196.db2.gz VKOYLIPBFUCSTR-JTQLQIEISA-N 0 3 312.845 2.054 20 30 DEEDHN Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C#N)C1 ZINC001111666852 794452259 /nfs/dbraw/zinc/45/22/59/794452259.db2.gz NNNLZZBPQVPQCP-MPGHIAIKSA-N 0 3 312.417 2.020 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc(OC)c(Cl)c1 ZINC001176812832 794504496 /nfs/dbraw/zinc/50/44/96/794504496.db2.gz ZWFXBECEADFCSE-UHFFFAOYSA-N 0 3 318.204 2.206 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)c2cccnc2)C1 ZINC001111893462 794517537 /nfs/dbraw/zinc/51/75/37/794517537.db2.gz CCZLIVUOKPYBKO-IEZWGBDMSA-N 0 3 311.429 2.179 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)c2cccnc2)C1 ZINC001111893461 794517773 /nfs/dbraw/zinc/51/77/73/794517773.db2.gz CCZLIVUOKPYBKO-AYBZRNKSSA-N 0 3 311.429 2.179 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1C(F)(F)F ZINC001112051797 794549179 /nfs/dbraw/zinc/54/91/79/794549179.db2.gz KFXPURIVVBMRRE-VXGBXAGGSA-N 0 3 322.396 2.130 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1C(F)(F)F ZINC001112138084 794562809 /nfs/dbraw/zinc/56/28/09/794562809.db2.gz STYNHYULGYNZAY-VXGBXAGGSA-N 0 3 320.330 2.128 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C(F)(F)F ZINC001112187025 794568833 /nfs/dbraw/zinc/56/88/33/794568833.db2.gz LUAZWHVIRBJGLQ-JHJVBQTASA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccn2C)C1 ZINC001112281932 794586883 /nfs/dbraw/zinc/58/68/83/794586883.db2.gz AVZHRJSZRVWUNX-YJBOKZPZSA-N 0 3 316.449 2.105 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(N(CC)CC)nc1 ZINC001177366071 794645878 /nfs/dbraw/zinc/64/58/78/794645878.db2.gz SDAHWTWXFNYONR-UHFFFAOYSA-N 0 3 324.856 2.390 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC001177468639 794673316 /nfs/dbraw/zinc/67/33/16/794673316.db2.gz UYKAGLKWBYNPPL-DOMZBBRYSA-N 0 3 308.809 2.400 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CC1CCC(OC)CC1 ZINC001177534734 794694189 /nfs/dbraw/zinc/69/41/89/794694189.db2.gz AJGDOHDRIXZOLJ-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C(C)C ZINC001115321815 794735197 /nfs/dbraw/zinc/73/51/97/794735197.db2.gz CYJDEGJNVWBQSB-ZSHCYNCHSA-N 0 3 318.417 2.266 20 30 DEEDHN CN1CCC(N(C(=O)C#Cc2cccnc2)C2CCCC2)CC1 ZINC001177777786 794737111 /nfs/dbraw/zinc/73/71/11/794737111.db2.gz ZDFXXJIABDZGJS-UHFFFAOYSA-N 0 3 311.429 2.299 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2cnnn2C)CCCCC1 ZINC001115557177 794820154 /nfs/dbraw/zinc/82/01/54/794820154.db2.gz XVXWZDAMUHIZQH-UHFFFAOYSA-N 0 3 319.453 2.080 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C1=COCCC1 ZINC001178291878 794885783 /nfs/dbraw/zinc/88/57/83/794885783.db2.gz OMUXJMAMNBBKGX-LPHOPBHVSA-N 0 3 324.424 2.311 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@@H]1C ZINC001178332519 794889748 /nfs/dbraw/zinc/88/97/48/794889748.db2.gz UCTDPLYQMOPFKP-LRDDRELGSA-N 0 3 324.371 2.246 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2nc(C)c[nH]2)CCCCC1 ZINC001115767243 794913627 /nfs/dbraw/zinc/91/36/27/794913627.db2.gz DPJQFZZNOQOPJJ-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN Cc1nnc([C@H](C)NCCCCCCNC(=O)C#CC(C)C)[nH]1 ZINC001178418975 794923311 /nfs/dbraw/zinc/92/33/11/794923311.db2.gz NMTUWQFPIPQOSK-AWEZNQCLSA-N 0 3 319.453 2.100 20 30 DEEDHN Cc1cc(CNCCCCCCNC(=O)C#CC(C)C)nn1C ZINC001178427272 794925151 /nfs/dbraw/zinc/92/51/51/794925151.db2.gz WXSNLHIOBRGSCJ-UHFFFAOYSA-N 0 3 318.465 2.154 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC001116555200 794967255 /nfs/dbraw/zinc/96/72/55/794967255.db2.gz NEXLWUYJJDIKRU-WMLDXEAASA-N 0 3 319.401 2.404 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001116619477 794972642 /nfs/dbraw/zinc/97/26/42/794972642.db2.gz OPIFSMMQRSWDIE-INIZCTEOSA-N 0 3 309.454 2.095 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001117706421 795099221 /nfs/dbraw/zinc/09/92/21/795099221.db2.gz GHUFKYRGXBZLEZ-JTQLQIEISA-N 0 3 314.307 2.217 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC(C)C)[C@H]1C ZINC001179590765 795138521 /nfs/dbraw/zinc/13/85/21/795138521.db2.gz SAMOQDHQLHBPJC-JYJNAYRXSA-N 0 3 323.481 2.082 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(C(=O)c2cccs2)CC1 ZINC001118060526 795147690 /nfs/dbraw/zinc/14/76/90/795147690.db2.gz FYSPYAIWKVTOHH-ZDUSSCGKSA-N 0 3 319.430 2.191 20 30 DEEDHN COc1ccc(C[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC001118060529 795147963 /nfs/dbraw/zinc/14/79/63/795147963.db2.gz FYUVSIYFZBOHQY-CZUORRHYSA-N 0 3 303.406 2.106 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001179986594 795214631 /nfs/dbraw/zinc/21/46/31/795214631.db2.gz AXIVXWFSABJAJQ-ILXRZTDVSA-N 0 3 311.470 2.190 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001180846733 795380936 /nfs/dbraw/zinc/38/09/36/795380936.db2.gz VGRPZLZLNOYRAK-PBFPGSCMSA-N 0 3 319.453 2.215 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(CNCc2ccccc2C#N)C1 ZINC001180913582 795388826 /nfs/dbraw/zinc/38/88/26/795388826.db2.gz IGEUEITWCXKYDI-QMTMVMCOSA-N 0 3 324.428 2.292 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2nonc2C)CCCCC1 ZINC001120255107 795430193 /nfs/dbraw/zinc/43/01/93/795430193.db2.gz VOFSFBLYXOAXPF-UHFFFAOYSA-N 0 3 312.801 2.153 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCOC)C1 ZINC001120289737 795435165 /nfs/dbraw/zinc/43/51/65/795435165.db2.gz HEDCDCDKAIVXFZ-HUUCEWRRSA-N 0 3 314.857 2.478 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(F)c(C#N)c1 ZINC001181194936 795436710 /nfs/dbraw/zinc/43/67/10/795436710.db2.gz UGLJABSEGYKLQA-HNNXBMFYSA-N 0 3 301.365 2.006 20 30 DEEDHN CCOC[C@@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001120505244 795474359 /nfs/dbraw/zinc/47/43/59/795474359.db2.gz YSIIEEAZGDWFJI-AWEZNQCLSA-N 0 3 301.308 2.044 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cnn(C(C)(C)C)c2)C1 ZINC001181535047 795487997 /nfs/dbraw/zinc/48/79/97/795487997.db2.gz MFHGIEILUBLQNM-OAHLLOKOSA-N 0 3 304.438 2.295 20 30 DEEDHN O[C@@H](CNCC#C[C@H]1CCCCO1)COc1ccccc1Cl ZINC001120609196 795497979 /nfs/dbraw/zinc/49/79/79/795497979.db2.gz ALIRSTIIQZRVLO-LSDHHAIUSA-N 0 3 323.820 2.242 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3ccn(CC)n3)C2)C1 ZINC001120819347 795536596 /nfs/dbraw/zinc/53/65/96/795536596.db2.gz VDSAHZJPHWLFTI-UHFFFAOYSA-N 0 3 316.449 2.386 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC001121876682 795698019 /nfs/dbraw/zinc/69/80/19/795698019.db2.gz VUXKYNRJYOHTKL-HUUCEWRRSA-N 0 3 311.470 2.049 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC001122042228 795720584 /nfs/dbraw/zinc/72/05/84/795720584.db2.gz DZQGGCIQAHJKTI-UONOGXRCSA-N 0 3 322.478 2.032 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@@H]2CCCO2)c1 ZINC001122449648 795759198 /nfs/dbraw/zinc/75/91/98/795759198.db2.gz VDDSLXKZSVRIPB-GLQYFDAESA-N 0 3 316.357 2.158 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(F)cc2)cc1F ZINC001122605206 795783374 /nfs/dbraw/zinc/78/33/74/795783374.db2.gz QDGAQQQPLICHKK-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2ccccc2F)ccc1F ZINC001122753171 795802125 /nfs/dbraw/zinc/80/21/25/795802125.db2.gz DMROWAOYPZOFMD-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=O)C3(c4ccccc4C#N)CC3)C[C@H]21 ZINC001183293051 795845991 /nfs/dbraw/zinc/84/59/91/795845991.db2.gz JFMXXQMGDDQQHV-NVXWUHKLSA-N 0 3 309.413 2.142 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001183591684 795900110 /nfs/dbraw/zinc/90/01/10/795900110.db2.gz KKTQPFHXXZJJAV-LAQIPUCWSA-N 0 3 300.377 2.443 20 30 DEEDHN C=C(CC)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC001123592831 795940337 /nfs/dbraw/zinc/94/03/37/795940337.db2.gz CDOXWDVXGLOPKW-UHFFFAOYSA-N 0 3 301.434 2.016 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001123860860 795989439 /nfs/dbraw/zinc/98/94/39/795989439.db2.gz GOOUDSQOUURNTF-SJORKVTESA-N 0 3 306.450 2.249 20 30 DEEDHN COc1ccc(CNCCNC(=O)/C=C(/C)C2CC2)cc1C#N ZINC001124217316 796046489 /nfs/dbraw/zinc/04/64/89/796046489.db2.gz OWQYKKXMKFIDPH-LCYFTJDESA-N 0 3 313.401 2.129 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)OCc2ccccc2C)C1 ZINC001184668166 796103266 /nfs/dbraw/zinc/10/32/66/796103266.db2.gz GEMNPAXMVSTTLA-FUHWJXTLSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(F)nc3)C2)C1=O ZINC001137736597 796132070 /nfs/dbraw/zinc/13/20/70/796132070.db2.gz VIZZDHWHHVAHJO-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001185056707 796171006 /nfs/dbraw/zinc/17/10/06/796171006.db2.gz TWHWVWTZKAZULB-CZUORRHYSA-N 0 3 302.422 2.078 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001185064430 796173669 /nfs/dbraw/zinc/17/36/69/796173669.db2.gz OCMRLTFRNXRVTF-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@](C)(O)[C@@H](C)C2)cc1OC ZINC001138344179 796201371 /nfs/dbraw/zinc/20/13/71/796201371.db2.gz ZVTBMDJGKXMTMF-KBXCAEBGSA-N 0 3 303.402 2.300 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1[O-] ZINC001138627591 796246367 /nfs/dbraw/zinc/24/63/67/796246367.db2.gz BDMXYVGNIALJJN-KRWDZBQOSA-N 0 3 302.374 2.195 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1[O-] ZINC001138627591 796246370 /nfs/dbraw/zinc/24/63/70/796246370.db2.gz BDMXYVGNIALJJN-KRWDZBQOSA-N 0 3 302.374 2.195 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1[O-] ZINC001138625192 796246470 /nfs/dbraw/zinc/24/64/70/796246470.db2.gz GYFXBORNULVYEA-MRXNPFEDSA-N 0 3 303.402 2.237 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccccc2OC2CCC2)C1 ZINC001185567051 796283940 /nfs/dbraw/zinc/28/39/40/796283940.db2.gz DYMSQDXJZHADMF-OAHLLOKOSA-N 0 3 312.413 2.445 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cnc(N)s1)CC2 ZINC001139226711 796344713 /nfs/dbraw/zinc/34/47/13/796344713.db2.gz GGRVFUOCOFNAQT-INIZCTEOSA-N 0 3 320.462 2.258 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cccc(OC)c1C ZINC001186475711 796406374 /nfs/dbraw/zinc/40/63/74/796406374.db2.gz CEVASCVBRYCAQE-INIZCTEOSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccnnc1)[C@H]2CC ZINC001139982438 796457583 /nfs/dbraw/zinc/45/75/83/796457583.db2.gz NYZQDCBHCAEKOV-WMZOPIPTSA-N 0 3 314.433 2.398 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCOc2ccccc2CC)C1 ZINC001187004682 796469995 /nfs/dbraw/zinc/46/99/95/796469995.db2.gz TYZXISFQOWIGEX-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@H](n4cncn4)C3)c2c1 ZINC001140115162 796478819 /nfs/dbraw/zinc/47/88/19/796478819.db2.gz OSBGGAOLWBVDQV-HNNXBMFYSA-N 0 3 306.373 2.468 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@H](CC)C(N)=O)C1 ZINC001187341419 796529086 /nfs/dbraw/zinc/52/90/86/796529086.db2.gz UUFIZXBQSAOEEG-HUUCEWRRSA-N 0 3 311.470 2.191 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2sccc2C2CC2)C1 ZINC001187617121 796556788 /nfs/dbraw/zinc/55/67/88/796556788.db2.gz DCXFOYMYTCKDPN-CQSZACIVSA-N 0 3 318.442 2.079 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001188001291 796612118 /nfs/dbraw/zinc/61/21/18/796612118.db2.gz DWMKXFCOCFIDKH-NVXWUHKLSA-N 0 3 314.429 2.088 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001188032958 796620563 /nfs/dbraw/zinc/62/05/63/796620563.db2.gz JKGSHBRCNFQLJB-YLBKJFSISA-N 0 3 302.805 2.371 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OCC)cc1C ZINC000838624166 796671651 /nfs/dbraw/zinc/67/16/51/796671651.db2.gz KFNYUUGXNREEJD-UHFFFAOYSA-N 0 3 303.406 2.470 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2conc2C2CC2)CC1 ZINC001161213478 796678038 /nfs/dbraw/zinc/67/80/38/796678038.db2.gz JIEKEJYYUXYDCF-UHFFFAOYSA-N 0 3 301.390 2.490 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CC(F)(F)C(F)F)CC1 ZINC001161219536 796693055 /nfs/dbraw/zinc/69/30/55/796693055.db2.gz JMYJTLRKQHGDIR-UHFFFAOYSA-N 0 3 320.330 2.439 20 30 DEEDHN CSc1nc(CN2CCC3SC(=O)C=C3C2)ccc1C#N ZINC001141934129 796699549 /nfs/dbraw/zinc/69/95/49/796699549.db2.gz FFFXTIHCVOYIOJ-CYBMUJFWSA-N 0 3 317.439 2.449 20 30 DEEDHN CSCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001188792375 796721369 /nfs/dbraw/zinc/72/13/69/796721369.db2.gz GFSQAOBNBYKGRH-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001188902869 796740220 /nfs/dbraw/zinc/74/02/20/796740220.db2.gz AQQXAPLDLSIKJX-FUHWJXTLSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccc2c(c1)OCO2 ZINC001142990204 796792102 /nfs/dbraw/zinc/79/21/02/796792102.db2.gz PCWOBESTOOVNPJ-HNNXBMFYSA-N 0 3 316.401 2.115 20 30 DEEDHN C=CCOCCN1CCCO[C@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001150109952 796922392 /nfs/dbraw/zinc/92/23/92/796922392.db2.gz UEGHHRLKQANYGS-QGZVFWFLSA-N 0 3 324.465 2.143 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(C2CC2)C2CC2)C1 ZINC001150562475 796954546 /nfs/dbraw/zinc/95/45/46/796954546.db2.gz PMBZVRXWRZGNNW-MRXNPFEDSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001150614206 796961272 /nfs/dbraw/zinc/96/12/72/796961272.db2.gz UCCFYMQROJZRSR-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2occc2C)CC1 ZINC001150944029 796993923 /nfs/dbraw/zinc/99/39/23/796993923.db2.gz PFKSQBGXHULINV-UHFFFAOYSA-N 0 3 306.406 2.375 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2[nH]ccc2C2CC2)C1 ZINC001190566817 797028930 /nfs/dbraw/zinc/02/89/30/797028930.db2.gz UODBQQHWVNIBKS-HNNXBMFYSA-N 0 3 317.433 2.241 20 30 DEEDHN C[C@@H]1CC[C@H](CCC(=O)NCCNCc2ccc(C#N)cc2)O1 ZINC001151795026 797097104 /nfs/dbraw/zinc/09/71/04/797097104.db2.gz QTNXCXRDXYBZCO-RHSMWYFYSA-N 0 3 315.417 2.112 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1CC[C@H](N(C)CCOC)C1 ZINC001190973694 797117211 /nfs/dbraw/zinc/11/72/11/797117211.db2.gz QZQMRXNOEUVCQZ-HNNXBMFYSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCNC/C=C\Cl)cc1 ZINC001152769958 797232408 /nfs/dbraw/zinc/23/24/08/797232408.db2.gz LWIMYGJNQSJOFK-BAQGIRSFSA-N 0 3 308.809 2.252 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(F)ccc2C)C1 ZINC001191607580 797237537 /nfs/dbraw/zinc/23/75/37/797237537.db2.gz OUQYROASSBFFDR-INIZCTEOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCO[C@H]2CC2(F)F)C1 ZINC001192093539 797317066 /nfs/dbraw/zinc/31/70/66/797317066.db2.gz LLHJRGVFEZLTJT-KGLIPLIRSA-N 0 3 316.392 2.300 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001153306722 797318707 /nfs/dbraw/zinc/31/87/07/797318707.db2.gz PIQKYLQEZTVSQH-CQSZACIVSA-N 0 3 308.447 2.115 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001153608616 797361938 /nfs/dbraw/zinc/36/19/38/797361938.db2.gz KMRBVTMFFSDGEV-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCOc1cccc(F)c1 ZINC001153699397 797378137 /nfs/dbraw/zinc/37/81/37/797378137.db2.gz DLGPZADRLJLFNO-OAHLLOKOSA-N 0 3 320.408 2.445 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001153918529 797423291 /nfs/dbraw/zinc/42/32/91/797423291.db2.gz IRTHKEVXUCWMGA-GFCCVEGCSA-N 0 3 316.430 2.212 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001153930632 797425834 /nfs/dbraw/zinc/42/58/34/797425834.db2.gz URFCFWDXBVKUMS-SJORKVTESA-N 0 3 318.465 2.320 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)Cc1ccc(C)cc1 ZINC001154212296 797486175 /nfs/dbraw/zinc/48/61/75/797486175.db2.gz FTKXFRNYURTFGZ-QGZVFWFLSA-N 0 3 316.445 2.014 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)/C=C/c1ccco1 ZINC001154221164 797489268 /nfs/dbraw/zinc/48/92/68/797489268.db2.gz AYAHRJGELGCYKF-CMDGGOBGSA-N 0 3 309.369 2.461 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1noc2ccccc21 ZINC001154220461 797489546 /nfs/dbraw/zinc/48/95/46/797489546.db2.gz LDEJSYZAGIMKCU-CQSZACIVSA-N 0 3 313.401 2.220 20 30 DEEDHN CSCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154443710 797536488 /nfs/dbraw/zinc/53/64/88/797536488.db2.gz ZVPZLPADRWREEK-UHFFFAOYSA-N 0 3 309.410 2.046 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001193269742 797536529 /nfs/dbraw/zinc/53/65/29/797536529.db2.gz ZSZXBNJQABGHJN-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(C(C)C)c1Cl ZINC001154485123 797543416 /nfs/dbraw/zinc/54/34/16/797543416.db2.gz SIXVAVIVCUJSTB-GFCCVEGCSA-N 0 3 310.829 2.191 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001154800580 797614259 /nfs/dbraw/zinc/61/42/59/797614259.db2.gz LSKFGKIXHJGZLQ-ZIAGYGMSSA-N 0 3 300.402 2.256 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001194032192 797665418 /nfs/dbraw/zinc/66/54/18/797665418.db2.gz LQYZGWJRGPWGIL-GVDBMIGSSA-N 0 3 306.450 2.250 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001155142039 797693375 /nfs/dbraw/zinc/69/33/75/797693375.db2.gz PPFQMMFMSLRSDX-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001194523511 797739844 /nfs/dbraw/zinc/73/98/44/797739844.db2.gz AJKDOMYRRQFROX-IUIKQTSFSA-N 0 3 320.433 2.334 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCNCc1oc(CC)nc1C ZINC001155446076 797759210 /nfs/dbraw/zinc/75/92/10/797759210.db2.gz GQUVBPMYRFUAJW-AWEZNQCLSA-N 0 3 323.437 2.123 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)OC ZINC001155475868 797766033 /nfs/dbraw/zinc/76/60/33/797766033.db2.gz VEWMSAKQPKRANR-XGUBFFRZSA-N 0 3 310.438 2.262 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCC=C ZINC001110462908 797794739 /nfs/dbraw/zinc/79/47/39/797794739.db2.gz IQTXNCHEYZZNBU-ZACQAIPSSA-N 0 3 304.434 2.104 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccc(CC)cc1 ZINC001155579773 797795256 /nfs/dbraw/zinc/79/52/56/797795256.db2.gz LLZLKFWEUUXONM-UHFFFAOYSA-N 0 3 317.433 2.250 20 30 DEEDHN C=CCCC(=O)NCCCN[C@H](C)C(=O)Nc1ccccc1F ZINC001155594109 797798484 /nfs/dbraw/zinc/79/84/84/797798484.db2.gz ZSYKFYPAENAJSC-CYBMUJFWSA-N 0 3 321.396 2.215 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1scnc1C1CC1 ZINC001155710745 797833410 /nfs/dbraw/zinc/83/34/10/797833410.db2.gz YEYYLQVAUFMKNK-GFCCVEGCSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCOCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001155732294 797837546 /nfs/dbraw/zinc/83/75/46/797837546.db2.gz ZMSDWMPRIJPGAN-LBPRGKRZSA-N 0 3 312.360 2.324 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC[C@H]2CCCO2)CC1 ZINC001195175024 797851595 /nfs/dbraw/zinc/85/15/95/797851595.db2.gz YHGCVSAYOWMXSM-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001195491901 797913651 /nfs/dbraw/zinc/91/36/51/797913651.db2.gz HSKOAQAOXGVIHV-RBSFLKMASA-N 0 3 302.434 2.112 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(-c2cnco2)c1 ZINC001156141498 797932389 /nfs/dbraw/zinc/93/23/89/797932389.db2.gz ZXPXXJHHHZWKRM-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCOc2ccccc2)C[C@H]1C ZINC001206660172 797936193 /nfs/dbraw/zinc/93/61/93/797936193.db2.gz YYBPXSIFNAYKPJ-ZMSDIMECSA-N 0 3 315.417 2.052 20 30 DEEDHN CO[C@H](CN1CCCN(C(=O)C#CC(C)C)CC1)C1CCCC1 ZINC001195781604 797960808 /nfs/dbraw/zinc/96/08/08/797960808.db2.gz ZUCOEZXINNSYKL-GOSISDBHSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCN([C@H](C)c2ccccc2)CC1 ZINC001195805970 797967329 /nfs/dbraw/zinc/96/73/29/797967329.db2.gz ITBIBQRJECROLK-SJORKVTESA-N 0 3 314.429 2.320 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)CC1 ZINC001195876312 797978743 /nfs/dbraw/zinc/97/87/43/797978743.db2.gz KEQABULGCAIQIM-HZPDHXFCSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC001196401677 798051404 /nfs/dbraw/zinc/05/14/04/798051404.db2.gz TZLDGJKQWAZJKS-UHFFFAOYSA-N 0 3 302.422 2.013 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COC[C@H](C)c1ccccc1 ZINC001156647782 798051738 /nfs/dbraw/zinc/05/17/38/798051738.db2.gz IZWDMLBDVGTGNT-DLBZAZTESA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnn1-c1ccccc1 ZINC001156672710 798058896 /nfs/dbraw/zinc/05/88/96/798058896.db2.gz WAXINWQENCEGKP-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN CS[C@H](C)CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156753127 798076909 /nfs/dbraw/zinc/07/69/09/798076909.db2.gz DREXNKGGGMPGLM-GFCCVEGCSA-N 0 3 323.437 2.435 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC001156767104 798078920 /nfs/dbraw/zinc/07/89/20/798078920.db2.gz NYCVCLVOWHILRZ-CVEARBPZSA-N 0 3 302.418 2.222 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1CCCCCC1 ZINC001152298020 798100611 /nfs/dbraw/zinc/10/06/11/798100611.db2.gz XAQAZHBMDPHXJR-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCCCC(=O)N1CCCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001196846376 798113428 /nfs/dbraw/zinc/11/34/28/798113428.db2.gz CRGACFFAKZVWCT-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)cccc1OC ZINC001157104507 798145091 /nfs/dbraw/zinc/14/50/91/798145091.db2.gz GVVFCQGFGYIHPA-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001197775325 798236579 /nfs/dbraw/zinc/23/65/79/798236579.db2.gz HGDGPRWZYYUCBS-ARFHVFGLSA-N 0 3 314.445 2.422 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001197775326 798237236 /nfs/dbraw/zinc/23/72/36/798237236.db2.gz HGDGPRWZYYUCBS-BZUAXINKSA-N 0 3 314.445 2.422 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCN(CCCCCF)CC2)nc1 ZINC001197856333 798245995 /nfs/dbraw/zinc/24/59/95/798245995.db2.gz QGYQTMIXRFISKD-UHFFFAOYSA-N 0 3 317.408 2.351 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001197859780 798248193 /nfs/dbraw/zinc/24/81/93/798248193.db2.gz POPVXIWFGJRQHX-YNEHKIRRSA-N 0 3 322.371 2.093 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCCNCc1cccc(Cl)n1 ZINC001157719297 798265787 /nfs/dbraw/zinc/26/57/87/798265787.db2.gz XICCATCUSAAFMM-UHFFFAOYSA-N 0 3 307.825 2.380 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCCN(CCCCCF)CC1 ZINC001198342951 798318884 /nfs/dbraw/zinc/31/88/84/798318884.db2.gz COQZFHIBWDVQNE-OAHLLOKOSA-N 0 3 300.418 2.252 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCCC[C@@H]1CN(C)CCOC ZINC001158071858 798337242 /nfs/dbraw/zinc/33/72/42/798337242.db2.gz LWZIZCLEVAFILS-MRXNPFEDSA-N 0 3 319.449 2.247 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cncc(COC)c1 ZINC001158082414 798339698 /nfs/dbraw/zinc/33/96/98/798339698.db2.gz FUSZTGCAFVBLGN-QGZVFWFLSA-N 0 3 317.433 2.341 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H](C)OCC)c1ccccc1OC ZINC001198565037 798354708 /nfs/dbraw/zinc/35/47/08/798354708.db2.gz BUDWNIOAQVJXRM-GOEBONIOSA-N 0 3 320.433 2.443 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)CSCC#N)NC(C)C ZINC001198555149 798362212 /nfs/dbraw/zinc/36/22/12/798362212.db2.gz TXBZLCCSUQRXRL-CQSZACIVSA-N 0 3 321.446 2.107 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](NCCCC)c1ccccc1OC ZINC001198604823 798365035 /nfs/dbraw/zinc/36/50/35/798365035.db2.gz BQVSOAVDBWYXDS-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)CCOCC)c1ccccc1OC ZINC001198604791 798365250 /nfs/dbraw/zinc/36/52/50/798365250.db2.gz ARXHTBRXYIHJCL-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001198880006 798412945 /nfs/dbraw/zinc/41/29/45/798412945.db2.gz JUDZBFCYFVVKBV-JFIYKMOQSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)N(C)c1ccccc1 ZINC001159021576 798506820 /nfs/dbraw/zinc/50/68/20/798506820.db2.gz TVGSOPSAXHXHEI-UHFFFAOYSA-N 0 3 317.433 2.102 20 30 DEEDHN C=CCCC(=O)N1CCC(NCc2cc3n(n2)CCCC3)CC1 ZINC001199726019 798527582 /nfs/dbraw/zinc/52/75/82/798527582.db2.gz LSOKYRCGIOZFOU-UHFFFAOYSA-N 0 3 316.449 2.266 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CC[C@H]2CCCO2)CC1 ZINC001159415395 798562622 /nfs/dbraw/zinc/56/26/22/798562622.db2.gz YRRANKRSDWIQEW-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)OCC(C)C)CC1 ZINC001159463987 798566970 /nfs/dbraw/zinc/56/69/70/798566970.db2.gz KFKDIJBANMYALQ-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN C[C@H](Nc1nc(-c2cccs2)ccc1C#N)[C@H]1CNCCO1 ZINC001159503340 798575072 /nfs/dbraw/zinc/57/50/72/798575072.db2.gz WLAAKYWTCHLLRR-SMDDNHRTSA-N 0 3 314.414 2.471 20 30 DEEDHN Cc1ccncc1CN1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159587299 798584579 /nfs/dbraw/zinc/58/45/79/798584579.db2.gz NBQYUZKPADBDEY-HNNXBMFYSA-N 0 3 312.417 2.188 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CC2=CCCCC2)CCCO1 ZINC001200084491 798587186 /nfs/dbraw/zinc/58/71/86/798587186.db2.gz WWKKFIREQSAMBS-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2cc(C)no2)CC1 ZINC001200140365 798592145 /nfs/dbraw/zinc/59/21/45/798592145.db2.gz TWQNKDUIVXXVJA-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN C#CCCCC(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001200324845 798615104 /nfs/dbraw/zinc/61/51/04/798615104.db2.gz GVNSRPZXSZYPDQ-UHFFFAOYSA-N 0 3 305.447 2.336 20 30 DEEDHN Cc1nc(CNC2CCN(C(=O)C#CC(C)C)CC2)c(C)s1 ZINC001200448699 798631222 /nfs/dbraw/zinc/63/12/22/798631222.db2.gz JRVFXWPXSKKFRT-UHFFFAOYSA-N 0 3 319.474 2.500 20 30 DEEDHN C=CCn1cccc1C(=O)NCCCNCc1ccccc1C#N ZINC001159974558 798635273 /nfs/dbraw/zinc/63/52/73/798635273.db2.gz 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3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001209185279 801146098 /nfs/dbraw/zinc/14/60/98/801146098.db2.gz VRGFIZQASDJCNS-WMLDXEAASA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001209336375 801172042 /nfs/dbraw/zinc/17/20/42/801172042.db2.gz XBTRDLHJKVNBBI-AWEZNQCLSA-N 0 3 319.453 2.365 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001209346093 801173295 /nfs/dbraw/zinc/17/32/95/801173295.db2.gz PQSWOFILEBQIST-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001209507113 801204452 /nfs/dbraw/zinc/20/44/52/801204452.db2.gz ZEUJOPXXSKFEJP-UHOFOFEASA-N 0 3 317.433 2.245 20 30 DEEDHN C=CCCC1(C(=O)NC2CCN(CCn3cccn3)CC2)CC1 ZINC001229038265 801212317 /nfs/dbraw/zinc/21/23/17/801212317.db2.gz XWXDYSLSPSUATO-UHFFFAOYSA-N 0 3 316.449 2.210 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1c[nH]nc1C)C2 ZINC001209552334 801214083 /nfs/dbraw/zinc/21/40/83/801214083.db2.gz GKIHNDYYJADVDH-QGZVFWFLSA-N 0 3 302.422 2.251 20 30 DEEDHN O=C(N1CCC[C@@H](NCC#Cc2ccccc2)C1)C1(CF)CC1 ZINC001209568117 801221718 /nfs/dbraw/zinc/22/17/18/801221718.db2.gz KJBBYKCZHOXVFP-QGZVFWFLSA-N 0 3 314.404 2.368 20 30 DEEDHN CCN(CC)C[C@@H](C)Oc1ccc(O)c2c1C(=O)C=CC2=O ZINC001229406287 801271949 /nfs/dbraw/zinc/27/19/49/801271949.db2.gz PUAZQGNZAMMHGG-LLVKDONJSA-N 0 3 303.358 2.437 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001230397286 801398458 /nfs/dbraw/zinc/39/84/58/801398458.db2.gz LOLHNORPQYFKIT-XYJQFASLSA-N 0 3 318.461 2.062 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)COCC)CC1 ZINC001230504563 801408378 /nfs/dbraw/zinc/40/83/78/801408378.db2.gz RSAKKWQYEOBOMN-OAHLLOKOSA-N 0 3 314.857 2.478 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@H](C)OC)Cc1cccnc1 ZINC001230699851 801465014 /nfs/dbraw/zinc/46/50/14/801465014.db2.gz NKLLDNXIQMZPCF-HNNXBMFYSA-N 0 3 305.422 2.001 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001210804756 801467323 /nfs/dbraw/zinc/46/73/23/801467323.db2.gz METYYUVHCBYEND-JKSUJKDBSA-N 0 3 323.481 2.206 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001211223838 801532484 /nfs/dbraw/zinc/53/24/84/801532484.db2.gz FNDUOSIASGJWKZ-HDMKZQKVSA-N 0 3 316.445 2.496 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001211374217 801555749 /nfs/dbraw/zinc/55/57/49/801555749.db2.gz DCRGPZASJYATJU-NXHRZFHOSA-N 0 3 315.461 2.302 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@H](OC)C1 ZINC001213330981 801596150 /nfs/dbraw/zinc/59/61/50/801596150.db2.gz IWBWGXLAEVCSGA-CHWSQXEVSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@H](OC)C1 ZINC001213374340 801601186 /nfs/dbraw/zinc/60/11/86/801601186.db2.gz BNPNMJLICCMZEC-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(CC)on2)[C@H](OC)C1 ZINC001213741383 801639266 /nfs/dbraw/zinc/63/92/66/801639266.db2.gz YSYAECYYIPFKMC-DAXOMENPSA-N 0 3 321.421 2.021 20 30 DEEDHN C#Cc1cccc(CN2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c1 ZINC001231657751 801705207 /nfs/dbraw/zinc/70/52/07/801705207.db2.gz SNTLRFQIQGWDQD-RCCFBDPRSA-N 0 3 323.396 2.191 20 30 DEEDHN Cc1nc(C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)co1 ZINC001214497290 801722926 /nfs/dbraw/zinc/72/29/26/801722926.db2.gz LITRSBYEPLYHOA-RHSMWYFYSA-N 0 3 323.396 2.085 20 30 DEEDHN O=C1C=C2CN(Cc3cccc4c3OCCO4)CCC2S1 ZINC001231883467 801743975 /nfs/dbraw/zinc/74/39/75/801743975.db2.gz MKCVUEWZXAGQNR-AWEZNQCLSA-N 0 3 303.383 2.232 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1 ZINC001214706824 801749489 /nfs/dbraw/zinc/74/94/89/801749489.db2.gz AMIARZLCCOTLSB-RHSMWYFYSA-N 0 3 316.449 2.125 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001214741529 801755663 /nfs/dbraw/zinc/75/56/63/801755663.db2.gz PLABEYZDBKGXGL-ZIAGYGMSSA-N 0 3 319.453 2.221 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(Cl)ccc1N(C)C ZINC001215359034 801845884 /nfs/dbraw/zinc/84/58/84/801845884.db2.gz LNNYYGOYJHGGDW-UHFFFAOYSA-N 0 3 322.840 2.483 20 30 DEEDHN Cc1cc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)cc[nH+]1 ZINC001232680578 801940080 /nfs/dbraw/zinc/94/00/80/801940080.db2.gz FGOGIJZGPGGXNY-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN CCCCCCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001216526720 801982873 /nfs/dbraw/zinc/98/28/73/801982873.db2.gz UFUBIDJYBWINJG-RBSFLKMASA-N 0 3 311.470 2.047 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@H](C)OCC)[C@H]2C1 ZINC001217349883 802070986 /nfs/dbraw/zinc/07/09/86/802070986.db2.gz RIOYIUPUYUXIIS-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001217988475 802127929 /nfs/dbraw/zinc/12/79/29/802127929.db2.gz UVRXITQKWWACHA-ZWKOTPCHSA-N 0 3 318.461 2.467 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCO[C@@H]2CN(CCCC)C[C@@H]21)OCC ZINC001218048333 802137942 /nfs/dbraw/zinc/13/79/42/802137942.db2.gz FIMUDDKBDHGSKS-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cccc(C)n2)[C@@H](O)C1 ZINC001219189372 802296027 /nfs/dbraw/zinc/29/60/27/802296027.db2.gz LIDLECNAMSZOGY-SJORKVTESA-N 0 3 319.449 2.135 20 30 DEEDHN CO[C@@H](CN1CC[C@H]1CN(C)C(=O)C#CC(C)C)C1CCCC1 ZINC001234160726 802313353 /nfs/dbraw/zinc/31/33/53/802313353.db2.gz JCMCHCPFPDOYCO-ROUUACIJSA-N 0 3 320.477 2.384 20 30 DEEDHN C#Cc1ccc(NC(=O)[C@@H](N)C2Cc3ccccc3C2)cc1F ZINC001219383783 802320248 /nfs/dbraw/zinc/32/02/48/802320248.db2.gz CCPCVYRDQMPUIK-SFHVURJKSA-N 0 3 308.356 2.488 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001219482157 802337447 /nfs/dbraw/zinc/33/74/47/802337447.db2.gz NKDGKLVPAABFGZ-MSOLQXFVSA-N 0 3 320.477 2.312 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001234266629 802339901 /nfs/dbraw/zinc/33/99/01/802339901.db2.gz RMFUORQRBNTAJF-NVXWUHKLSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CO[C@H]1CCOC1 ZINC001234298007 802343494 /nfs/dbraw/zinc/34/34/94/802343494.db2.gz ZGSOGRLJBLSRAB-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001234626878 802435525 /nfs/dbraw/zinc/43/55/25/802435525.db2.gz WQCSAWIUTBANDK-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCCc2ccccc2)[C@@H](O)C1 ZINC001220266823 802436538 /nfs/dbraw/zinc/43/65/38/802436538.db2.gz NARKQUQAJJXENO-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CC1(F)CN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC001220610037 802478820 /nfs/dbraw/zinc/47/88/20/802478820.db2.gz CPHHVNHVOCXRPN-CQSZACIVSA-N 0 3 323.437 2.498 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CCCCC)C[C@@H]1O)c1ccccc1 ZINC001221044773 802523486 /nfs/dbraw/zinc/52/34/86/802523486.db2.gz JVWFIESDVMFGIK-KSZLIROESA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)[C@@H](O)C1 ZINC001221060338 802526029 /nfs/dbraw/zinc/52/60/29/802526029.db2.gz VEFPIGHRAJPTDB-XYPHTWIQSA-N 0 3 320.408 2.057 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221538777 802591606 /nfs/dbraw/zinc/59/16/06/802591606.db2.gz BLWVTDOTPBQZDV-KBAYOESNSA-N 0 3 316.445 2.058 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CC(C)(C)C=C)[C@@H]2C1 ZINC001221579790 802594218 /nfs/dbraw/zinc/59/42/18/802594218.db2.gz WDGKBKBJBNOUDV-HZPDHXFCSA-N 0 3 306.450 2.324 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(CCOC3CCC3)C[C@H]21 ZINC001221585062 802595108 /nfs/dbraw/zinc/59/51/08/802595108.db2.gz RAGFVNRBSWYYDP-NVXWUHKLSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCC(=O)N1C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001221782425 802614611 /nfs/dbraw/zinc/61/46/11/802614611.db2.gz BRDMDNAQIMFTSN-IXDOHACOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(CCC[C@@H](C)O)C[C@H]32)CC1 ZINC001221795251 802615569 /nfs/dbraw/zinc/61/55/69/802615569.db2.gz QKFFVSPKDPNIJP-BRWVUGGUSA-N 0 3 320.477 2.427 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C1 ZINC001221815774 802618194 /nfs/dbraw/zinc/61/81/94/802618194.db2.gz BUZSVCZCQMLTCH-MGPQQGTHSA-N 0 3 316.392 2.013 20 30 DEEDHN Cc1ncccc1CN1CCC(CNC(=O)C#CC2CC2)CC1 ZINC001223130920 802767776 /nfs/dbraw/zinc/76/77/76/802767776.db2.gz VQTJTIBCJFZPLP-UHFFFAOYSA-N 0 3 311.429 2.132 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2cccc(OC)c2)CC1 ZINC001223799607 802816185 /nfs/dbraw/zinc/81/61/85/802816185.db2.gz CNDYAAVLLHQSNZ-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC=C)CCOCC3)C[C@@H]21 ZINC001224027869 802830670 /nfs/dbraw/zinc/83/06/70/802830670.db2.gz RQQHZLNXERWOBU-SJORKVTESA-N 0 3 318.461 2.468 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(CCOC)CCC3)C[C@@H]21 ZINC001224015419 802830990 /nfs/dbraw/zinc/83/09/90/802830990.db2.gz CGGAVMTZGAKOID-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(CO[C@H]1CCCN([C@@H](C)c2ccccn2)C1)C(=O)OC ZINC001224373282 802861836 /nfs/dbraw/zinc/86/18/36/802861836.db2.gz PIODYRSZNPOGJB-GJZGRUSLSA-N 0 3 304.390 2.353 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)c2cccnc2)CC1 ZINC001224746305 802900882 /nfs/dbraw/zinc/90/08/82/802900882.db2.gz QJPHROOXBLVGLO-INIZCTEOSA-N 0 3 313.445 2.427 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)Cc2ccco2)CC1 ZINC001224824755 802907617 /nfs/dbraw/zinc/90/76/17/802907617.db2.gz CENFXPPASGQFKR-OAHLLOKOSA-N 0 3 302.418 2.310 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCCc2ccccn2)CC1 ZINC001225238221 802946291 /nfs/dbraw/zinc/94/62/91/802946291.db2.gz XZWFVCVGDIGFHK-UHFFFAOYSA-N 0 3 313.445 2.256 20 30 DEEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C#N ZINC001225396005 802960395 /nfs/dbraw/zinc/96/03/95/802960395.db2.gz WFKAUGAFJUPLAC-YUSALJHKSA-N 0 3 314.227 2.072 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001225395516 802960749 /nfs/dbraw/zinc/96/07/49/802960749.db2.gz NXCCQCUQPMCVIU-IACUBPJLSA-N 0 3 320.824 2.412 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC001225515121 802975891 /nfs/dbraw/zinc/97/58/91/802975891.db2.gz IFXHSGPOUSXOSO-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC001225617800 802991774 /nfs/dbraw/zinc/99/17/74/802991774.db2.gz PFWCCTVDKAESGG-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001226112231 803055806 /nfs/dbraw/zinc/05/58/06/803055806.db2.gz ZSWQCSFCUFXPMZ-IAGOWNOFSA-N 0 3 315.392 2.151 20 30 DEEDHN C=CCCC(=O)NC1CCN(CCn2nc(C)cc2C)CC1 ZINC001226535689 803121277 /nfs/dbraw/zinc/12/12/77/803121277.db2.gz XAYUGPMAIIWZGY-UHFFFAOYSA-N 0 3 304.438 2.047 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC001226532996 803121398 /nfs/dbraw/zinc/12/13/98/803121398.db2.gz MTZUDNZRXZCBSI-HZPDHXFCSA-N 0 3 304.438 2.293 20 30 DEEDHN C=CCOCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001226588966 803128592 /nfs/dbraw/zinc/12/85/92/803128592.db2.gz FUYBUMFVIGSXBQ-RMKNXTFCSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCOCC(=O)NC1CCN(Cc2sc(C)nc2C)CC1 ZINC001226588823 803128789 /nfs/dbraw/zinc/12/87/89/803128789.db2.gz CFISHJFTYWMLGH-UHFFFAOYSA-N 0 3 323.462 2.043 20 30 DEEDHN C=CCOCCCC(=O)NC1CCN(CCOC2CCC2)CC1 ZINC001226769910 803156903 /nfs/dbraw/zinc/15/69/03/803156903.db2.gz RZYFBNCZQCZQGB-UHFFFAOYSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001228074292 803316242 /nfs/dbraw/zinc/31/62/42/803316242.db2.gz GXBKJUVZLJHORX-USXIJHARSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001228129555 803322292 /nfs/dbraw/zinc/32/22/92/803322292.db2.gz FVTXPZXEGWWQDR-RRFJBIMHSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001228413333 803356142 /nfs/dbraw/zinc/35/61/42/803356142.db2.gz IQEXDZYPADXTNV-RKVPGOIHSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228750151 803406293 /nfs/dbraw/zinc/40/62/93/803406293.db2.gz WNFGQLKBUSJBML-HUUCEWRRSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc[nH]c2CCC)CC1 ZINC001228795259 803414759 /nfs/dbraw/zinc/41/47/59/803414759.db2.gz SYIAQSOWMOLAAC-UHFFFAOYSA-N 0 3 319.449 2.364 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC001228984927 803438893 /nfs/dbraw/zinc/43/88/93/803438893.db2.gz UMCVLIYIJQZTPS-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=C(Br)CNCCC[C@@H](C)NC(=O)c1cocn1 ZINC001330770586 1149288884 /nfs/dbraw/zinc/28/88/84/1149288884.db2.gz VCHKUBUQSGPIOV-SNVBAGLBSA-N 0 3 316.199 2.071 20 30 DEEDHN CN(C(=O)C(F)F)[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001331241340 1149402399 /nfs/dbraw/zinc/40/23/99/1149402399.db2.gz PVMMYENLKJJJTJ-OAHLLOKOSA-N 0 3 306.356 2.130 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CCC(O)CC2)CCCC1 ZINC001419294387 1168381211 /nfs/dbraw/zinc/38/12/11/1168381211.db2.gz JERHQWLUVSSKNS-UHFFFAOYSA-N 0 3 314.857 2.309 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)NC/C=C/Cl ZINC001331584329 1149544676 /nfs/dbraw/zinc/54/46/76/1149544676.db2.gz KPNYJIYQCXBCIN-CSFSIVCRSA-N 0 3 300.830 2.157 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC001328129384 1148727844 /nfs/dbraw/zinc/72/78/44/1148727844.db2.gz LQURQUWFJVKNDQ-UHFFFAOYSA-N 0 3 307.482 2.073 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1cccc(OC(C)C)c1 ZINC001331648830 1149576719 /nfs/dbraw/zinc/57/67/19/1149576719.db2.gz QTCXYURRCDBDSG-MRXNPFEDSA-N 0 3 316.445 2.476 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC(F)(F)F ZINC001420277892 1169312847 /nfs/dbraw/zinc/31/28/47/1169312847.db2.gz GWVKRBLEEWNTPU-SECBINFHSA-N 0 3 317.286 2.244 20 30 DEEDHN COC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC001343810178 1150775152 /nfs/dbraw/zinc/77/51/52/1150775152.db2.gz YOSLTWADNHPWRS-HUUCEWRRSA-N 0 3 307.369 2.041 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NC/C=C/c2ccccc2)C1 ZINC001331787991 1149680353 /nfs/dbraw/zinc/68/03/53/1149680353.db2.gz NYABJZRAVHQCKA-NADMHLTPSA-N 0 3 314.429 2.123 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001344522526 1150828199 /nfs/dbraw/zinc/82/81/99/1150828199.db2.gz RNOFSOWAWMMFAQ-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN CCN(CCCNC(=O)C#CC1CC1)Cc1cccc(Cl)n1 ZINC001479843837 1150890964 /nfs/dbraw/zinc/89/09/64/1150890964.db2.gz OMIOLAOPGXLDLQ-UHFFFAOYSA-N 0 3 319.836 2.477 20 30 DEEDHN Cc1nn(C(C)C)cc1CNC1(CNC(=O)[C@H](C)C#N)CCC1 ZINC001368462981 1148455791 /nfs/dbraw/zinc/45/57/91/1148455791.db2.gz DJMWLISVQRVRPL-CYBMUJFWSA-N 0 3 317.437 2.061 20 30 DEEDHN Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2cccc(C#N)c2)n1C ZINC001368936221 1148787347 /nfs/dbraw/zinc/78/73/47/1148787347.db2.gz MCURSGCDLGATGL-HNNXBMFYSA-N 0 3 324.428 2.456 20 30 DEEDHN C[C@@H]1Cc2cc(CNC(=O)[C@H](N)CCCCC#N)ccc2O1 ZINC001522855086 1069485807 /nfs/dbraw/zinc/48/58/07/1069485807.db2.gz FCDIHFQBOBYCQO-IUODEOHRSA-N 0 3 301.390 2.037 20 30 DEEDHN C[C@@H]1Cc2cc(CNC(=O)[C@@H](N)CCCCC#N)ccc2O1 ZINC001522855085 1069486179 /nfs/dbraw/zinc/48/61/79/1069486179.db2.gz FCDIHFQBOBYCQO-DOMZBBRYSA-N 0 3 301.390 2.037 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001522859747 1069487793 /nfs/dbraw/zinc/48/77/93/1069487793.db2.gz XVYOTZMIZSSFDX-GRYCIOLGSA-N 0 3 321.343 2.014 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H](C)OC ZINC001328463906 1148798642 /nfs/dbraw/zinc/79/86/42/1148798642.db2.gz LIMQUPMNFBXURV-WMLDXEAASA-N 0 3 302.418 2.313 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)[N-][C@H]1C[NH2+]C[C@H]1F ZINC001238220984 1138835349 /nfs/dbraw/zinc/83/53/49/1138835349.db2.gz KLNBJPUNNVDELG-KGLIPLIRSA-N 0 3 308.463 2.356 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)N[C@H]1CNC[C@H]1F ZINC001238220984 1138835350 /nfs/dbraw/zinc/83/53/50/1138835350.db2.gz KLNBJPUNNVDELG-KGLIPLIRSA-N 0 3 308.463 2.356 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001529282802 1070930751 /nfs/dbraw/zinc/93/07/51/1070930751.db2.gz BLRDIKCXXKRJBL-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001328779018 1148833801 /nfs/dbraw/zinc/83/38/01/1148833801.db2.gz DPIIHIJEKIYUAS-DOMZBBRYSA-N 0 3 304.438 2.239 20 30 DEEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)C(F)F ZINC001328967109 1148852932 /nfs/dbraw/zinc/85/29/32/1148852932.db2.gz BNORNMKQZRDIRB-MNOVXSKESA-N 0 3 314.763 2.439 20 30 DEEDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc(C#N)ccn1 ZINC001460093176 1058262948 /nfs/dbraw/zinc/26/29/48/1058262948.db2.gz HQNOELSCBHQGNU-KBXCAEBGSA-N 0 3 323.396 2.463 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCC[C@@H]2CNCCF)cc1 ZINC001499954838 1058400275 /nfs/dbraw/zinc/40/02/75/1058400275.db2.gz IFAVTEQUXIMIPO-MRXNPFEDSA-N 0 3 320.408 2.344 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCCCO1)C1CCN(CC=C)CC1 ZINC001500032709 1058443888 /nfs/dbraw/zinc/44/38/88/1058443888.db2.gz JFTJSCUIOWDCGI-QGZVFWFLSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCN(C(=O)c1cnc2cc[nH]c2c1)C1CCN(CC=C)CC1 ZINC001500039561 1058447939 /nfs/dbraw/zinc/44/79/39/1058447939.db2.gz SENUYBJGQMTXOZ-UHFFFAOYSA-N 0 3 322.412 2.289 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001460976279 1058557427 /nfs/dbraw/zinc/55/74/27/1058557427.db2.gz SRYSCKACDWXWPB-XYVMCAHJSA-N 0 3 321.465 2.320 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCCn2nc(C)cc2C)C1 ZINC001500264489 1058648284 /nfs/dbraw/zinc/64/82/84/1058648284.db2.gz KUJHXQFWFIWRGX-KRWDZBQOSA-N 0 3 304.438 2.047 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(OC)c2)C1 ZINC001500287852 1058669352 /nfs/dbraw/zinc/66/93/52/1058669352.db2.gz YJDYUTCKSWANSP-GOSISDBHSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CC(C)(C)C(=O)NC1(CNC(=O)CN(C)CCC)CCCC1 ZINC001500400496 1058750380 /nfs/dbraw/zinc/75/03/80/1058750380.db2.gz IIMDGOAQRYDDTL-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001500523461 1058893667 /nfs/dbraw/zinc/89/36/67/1058893667.db2.gz XQRAVKBXIKTPKJ-QGZVFWFLSA-N 0 3 319.453 2.051 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001500698524 1059016197 /nfs/dbraw/zinc/01/61/97/1059016197.db2.gz VRGZGDWTKPGBKB-GOSISDBHSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001500759014 1059069683 /nfs/dbraw/zinc/06/96/83/1059069683.db2.gz OTOIMEIERPMHDP-HKUYNNGSSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnn(C)c1)c1ccccc1CC ZINC001501018804 1059205314 /nfs/dbraw/zinc/20/53/14/1059205314.db2.gz GUZZYMXHZIMEQY-QGZVFWFLSA-N 0 3 312.417 2.229 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc(OC(C)C)n2)CCC1 ZINC001502013646 1059871560 /nfs/dbraw/zinc/87/15/60/1059871560.db2.gz QZGUONMCEXXASQ-UHFFFAOYSA-N 0 3 315.417 2.134 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N2CCN(CC(C)C)CC2)C1 ZINC001502101388 1059933393 /nfs/dbraw/zinc/93/33/93/1059933393.db2.gz AISMRACNEOEXBI-ZWKOTPCHSA-N 0 3 321.509 2.463 20 30 DEEDHN C[C@@H](NCc1cnn(C(C)(C)C)c1)[C@@H](C)NC(=O)C#CC1CC1 ZINC001329040187 1148860094 /nfs/dbraw/zinc/86/00/94/1148860094.db2.gz WVCVAOKHAWVYLG-ZIAGYGMSSA-N 0 3 316.449 2.034 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC001502376997 1060090969 /nfs/dbraw/zinc/09/09/69/1060090969.db2.gz FLNBUKWKHDHMHU-UHFFFAOYSA-N 0 3 316.430 2.165 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001369170945 1148860619 /nfs/dbraw/zinc/86/06/19/1148860619.db2.gz YBWWQELISHQJLE-MGCOHNPYSA-N 0 3 318.755 2.129 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC[C@H](F)CC)C1 ZINC001502570798 1060182797 /nfs/dbraw/zinc/18/27/97/1060182797.db2.gz SHCOOYNGDOZEDT-RHSMWYFYSA-N 0 3 314.445 2.280 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NCCC(F)(F)F)C1 ZINC001502580009 1060185185 /nfs/dbraw/zinc/18/51/85/1060185185.db2.gz CHLILYDZVBGPQH-CQSZACIVSA-N 0 3 322.371 2.094 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C[C@H](C)CC)CCO2 ZINC001503701438 1060463079 /nfs/dbraw/zinc/46/30/79/1060463079.db2.gz ZDSIVPYTWGBHSM-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN CCN(CC)[C@@H](CNc1cnc(C#N)c(C#N)n1)c1ccco1 ZINC001472675068 1060567336 /nfs/dbraw/zinc/56/73/36/1060567336.db2.gz LPFXLPHODTZZTI-AWEZNQCLSA-N 0 3 310.361 2.308 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C(C)(C)C)nn1C ZINC001505444907 1060607939 /nfs/dbraw/zinc/60/79/39/1060607939.db2.gz KTEJIUWJMVQOLI-AWEZNQCLSA-N 0 3 318.465 2.440 20 30 DEEDHN N#Cc1ccncc1N1CCN(CC2(O)CCCCCC2)CC1 ZINC001473511455 1060693183 /nfs/dbraw/zinc/69/31/83/1060693183.db2.gz OUDHMOQNNLJKNK-UHFFFAOYSA-N 0 3 314.433 2.161 20 30 DEEDHN CC(C)OCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001505569682 1060721325 /nfs/dbraw/zinc/72/13/25/1060721325.db2.gz GNFULFSQVARGJD-NWDGAFQWSA-N 0 3 309.435 2.028 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cscn1 ZINC001505575581 1060731167 /nfs/dbraw/zinc/73/11/67/1060731167.db2.gz PHNULLGCDWMPSJ-KGLIPLIRSA-N 0 3 313.426 2.291 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001505594253 1060755567 /nfs/dbraw/zinc/75/55/67/1060755567.db2.gz FIWKHVHESTXPFG-JKSUJKDBSA-N 0 3 314.404 2.464 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)Cc1ccco1 ZINC001505713106 1060893326 /nfs/dbraw/zinc/89/33/26/1060893326.db2.gz JNVDRGLWNBNRLN-HOTGVXAUSA-N 0 3 310.397 2.357 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C#N)N(C)Cc1ccc2ncccc2c1 ZINC001505886073 1061091814 /nfs/dbraw/zinc/09/18/14/1061091814.db2.gz DUQPPLTUQJCBHO-UONOGXRCSA-N 0 3 310.401 2.331 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C(N)=O)cc1 ZINC001505928883 1061144854 /nfs/dbraw/zinc/14/48/54/1061144854.db2.gz POIXGMPULUQKNJ-AWEZNQCLSA-N 0 3 317.433 2.078 20 30 DEEDHN C=CCCC[N@@H+](C)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001505941164 1061155284 /nfs/dbraw/zinc/15/52/84/1061155284.db2.gz CWVVVJNAWXCPLG-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001505941164 1061155291 /nfs/dbraw/zinc/15/52/91/1061155291.db2.gz CWVVVJNAWXCPLG-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001479255808 1061333600 /nfs/dbraw/zinc/33/36/00/1061333600.db2.gz UGYURYGRTCJXCJ-AWEZNQCLSA-N 0 3 302.422 2.400 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001369183481 1148863676 /nfs/dbraw/zinc/86/36/76/1148863676.db2.gz YLAVTCSYXGANMO-HAQNSBGRSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001479380465 1061428539 /nfs/dbraw/zinc/42/85/39/1061428539.db2.gz LYSLYOYYEJPJGK-IHRRRGAJSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCn3cccc3)C(C)(C)[C@@H]21 ZINC001479612922 1061519971 /nfs/dbraw/zinc/51/99/71/1061519971.db2.gz LJRKVCPFJGGNMA-KBAYOESNSA-N 0 3 313.445 2.117 20 30 DEEDHN Cc1nc(CN[C@@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)co1 ZINC001506158507 1061695028 /nfs/dbraw/zinc/69/50/28/1061695028.db2.gz HYKRRLQSIPPYPC-WFASDCNBSA-N 0 3 306.410 2.105 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC001479874785 1061969904 /nfs/dbraw/zinc/96/99/04/1061969904.db2.gz CNVXDVBEQUQQSJ-UHFFFAOYSA-N 0 3 310.319 2.321 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001479952643 1062100067 /nfs/dbraw/zinc/10/00/67/1062100067.db2.gz PIKUFECEDSLIJA-SFHVURJKSA-N 0 3 319.408 2.339 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2ccnnc2C)CC1 ZINC001479993154 1062155124 /nfs/dbraw/zinc/15/51/24/1062155124.db2.gz LDHMBWJOZCKIHT-UHFFFAOYSA-N 0 3 314.433 2.125 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)C2CN(CCOC(C)C)C2)cc1 ZINC001506640860 1062224580 /nfs/dbraw/zinc/22/45/80/1062224580.db2.gz RXESLUHQWZJULR-OAHLLOKOSA-N 0 3 314.429 2.143 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@](C)(OC)c2ccccc2)C1 ZINC001506666965 1062258999 /nfs/dbraw/zinc/25/89/99/1062258999.db2.gz TZWOYFKXGCGUFB-KXBFYZLASA-N 0 3 314.429 2.008 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)[nH]c1 ZINC001480101678 1062326910 /nfs/dbraw/zinc/32/69/10/1062326910.db2.gz GXGBVFIOXBFRJA-GASCZTMLSA-N 0 3 301.390 2.042 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001480118543 1062348875 /nfs/dbraw/zinc/34/88/75/1062348875.db2.gz JCVFMTOCSXDBJB-PXNSSMCTSA-N 0 3 310.441 2.494 20 30 DEEDHN CC#CCN1C[C@@H]2C(CNC(=O)C/C=C/Cc3ccccc3)[C@@H]2C1 ZINC001506796912 1062398472 /nfs/dbraw/zinc/39/84/72/1062398472.db2.gz WCBPTOWWTSVXIQ-FWKLSXIPSA-N 0 3 322.452 2.493 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001506825121 1062412593 /nfs/dbraw/zinc/41/25/93/1062412593.db2.gz IKZOASLJAIROLE-FRYIKTPZSA-N 0 3 322.452 2.424 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H]([C@@H](C)NCc2ccccn2)C1 ZINC001506835105 1062421654 /nfs/dbraw/zinc/42/16/54/1062421654.db2.gz NQBAHIWNSAGOOK-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]2CN(CC#CCOC)CC[C@H]21 ZINC001480186437 1062440241 /nfs/dbraw/zinc/44/02/41/1062440241.db2.gz NGDOQLYTLUNDMQ-QZTJIDSGSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001506903374 1062491338 /nfs/dbraw/zinc/49/13/38/1062491338.db2.gz UBORYNJRMYWNRM-QEJZJMRPSA-N 0 3 319.836 2.033 20 30 DEEDHN O=C(CC#Cc1ccccc1)N[C@H]1C[C@@H](NCc2ccccn2)C1 ZINC001480239738 1062504969 /nfs/dbraw/zinc/50/49/69/1062504969.db2.gz XYDOFDMTFIWDDN-KDURUIRLSA-N 0 3 319.408 2.260 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCNCc1cnc(Cl)s1 ZINC001506915380 1062514621 /nfs/dbraw/zinc/51/46/21/1062514621.db2.gz YNUOPWFQAPDZDT-ZJUUUORDSA-N 0 3 314.842 2.331 20 30 DEEDHN Cc1cccnc1CN1CCC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001480252761 1062532567 /nfs/dbraw/zinc/53/25/67/1062532567.db2.gz PHCKYSUUMFIUKQ-QGZVFWFLSA-N 0 3 311.429 2.132 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2cc(F)ccc2F)C1 ZINC001480263118 1062561451 /nfs/dbraw/zinc/56/14/51/1062561451.db2.gz YPLMTCUVBCPOSD-AWEZNQCLSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2ccc(Cl)cc2)C1 ZINC001480268889 1062570766 /nfs/dbraw/zinc/57/07/66/1062570766.db2.gz VAUKQMJJHISFAD-HNNXBMFYSA-N 0 3 304.821 2.344 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H](CNCc1cncc(F)c1)C1CC1 ZINC001507006192 1062664491 /nfs/dbraw/zinc/66/44/91/1062664491.db2.gz DXIGKSWJPFOSPZ-KRWDZBQOSA-N 0 3 317.408 2.351 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2cccnc2C)C1 ZINC001480383570 1062765178 /nfs/dbraw/zinc/76/51/78/1062765178.db2.gz QCJHIMUCCHPJJP-WMZOPIPTSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCc2c(C)noc2C)C1 ZINC001480388395 1062778779 /nfs/dbraw/zinc/77/87/79/1062778779.db2.gz XEGDQUWZPUZJHP-CZUORRHYSA-N 0 3 317.433 2.074 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCc2c(C)noc2C)C1 ZINC001480388393 1062779080 /nfs/dbraw/zinc/77/90/80/1062779080.db2.gz XEGDQUWZPUZJHP-BBRMVZONSA-N 0 3 317.433 2.074 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001480442673 1062866117 /nfs/dbraw/zinc/86/61/17/1062866117.db2.gz VOUFPTMBENHEIU-LLVKDONJSA-N 0 3 314.364 2.242 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)N[C@H](C)c1cccc(C)c1 ZINC001507223274 1062978496 /nfs/dbraw/zinc/97/84/96/1062978496.db2.gz WWOGTXJGKFPCSP-ZBFHGGJFSA-N 0 3 304.434 2.335 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2cccc(CC)c2)C1 ZINC001507234582 1062988295 /nfs/dbraw/zinc/98/82/95/1062988295.db2.gz YGHTYFIQUXTVTQ-QGZVFWFLSA-N 0 3 316.445 2.172 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001507279991 1063024641 /nfs/dbraw/zinc/02/46/41/1063024641.db2.gz FZLMTLPWTWOZJZ-XJKSGUPXSA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@H]1C ZINC001507292210 1063044475 /nfs/dbraw/zinc/04/44/75/1063044475.db2.gz ZILLAONZYIVAKJ-CJNGLKHVSA-N 0 3 302.422 2.220 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C1=COCCC1 ZINC001507309787 1063073718 /nfs/dbraw/zinc/07/37/18/1063073718.db2.gz STEDFYBVUBPCJI-LPHOPBHVSA-N 0 3 324.424 2.311 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCOc2cccc(F)c2)C1 ZINC001507313028 1063078217 /nfs/dbraw/zinc/07/82/17/1063078217.db2.gz KJVINRCOSMJMQY-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)CCn2cccc2)[C@@H]1C ZINC001507379754 1063192689 /nfs/dbraw/zinc/19/26/89/1063192689.db2.gz FFKHNVVMHHMLEN-IRXDYDNUSA-N 0 3 319.449 2.050 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccsc2)[C@H]1C ZINC001507380626 1063194571 /nfs/dbraw/zinc/19/45/71/1063194571.db2.gz IQXLXRNMIPKPKD-HIFRSBDPSA-N 0 3 306.431 2.119 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC001507434083 1063283457 /nfs/dbraw/zinc/28/34/57/1063283457.db2.gz PRFAULNJTRQXKI-HNNXBMFYSA-N 0 3 318.465 2.349 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)c2occc2Cl)CC1(C)C ZINC001507443606 1063292937 /nfs/dbraw/zinc/29/29/37/1063292937.db2.gz QJTAFCVDWHSCPD-CYBMUJFWSA-N 0 3 324.808 2.023 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(CC(C)C)s1 ZINC001507641323 1063371076 /nfs/dbraw/zinc/37/10/76/1063371076.db2.gz ZNLUHCKDZQNOEN-AWEZNQCLSA-N 0 3 324.490 2.497 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2c(C)noc2CC)C1 ZINC001493186570 1063624948 /nfs/dbraw/zinc/62/49/48/1063624948.db2.gz LUSUOAHYAKOVGW-CQSZACIVSA-N 0 3 305.422 2.450 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H](C)Oc1ccccc1F ZINC001493292466 1063700291 /nfs/dbraw/zinc/70/02/91/1063700291.db2.gz AIUBJFPGKVSLCT-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN C=CCN(CCNC(=O)c1cnn(CC2CCCC2)c1)C1CC1 ZINC001493434833 1063794554 /nfs/dbraw/zinc/79/45/54/1063794554.db2.gz ZKYBZVRDKXTNKK-UHFFFAOYSA-N 0 3 316.449 2.454 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001493820028 1063976672 /nfs/dbraw/zinc/97/66/72/1063976672.db2.gz RJJOHUIXIYKXCK-OLZOCXBDSA-N 0 3 319.453 2.357 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC001493887678 1064011799 /nfs/dbraw/zinc/01/17/99/1064011799.db2.gz UCMHRTWTKNYKQS-IRXDYDNUSA-N 0 3 300.402 2.026 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCN1CCN(CC2CC2)CC1 ZINC001494103068 1064123560 /nfs/dbraw/zinc/12/35/60/1064123560.db2.gz XSMBWLLPIWXDBD-INIZCTEOSA-N 0 3 307.482 2.075 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001494117931 1064128705 /nfs/dbraw/zinc/12/87/05/1064128705.db2.gz AXVJHOYOBMLYBO-HNNXBMFYSA-N 0 3 320.408 2.309 20 30 DEEDHN CCN(CCNC(=O)CSCC#N)Cc1ccc(C)c(F)c1 ZINC001567327876 1064147228 /nfs/dbraw/zinc/14/72/28/1064147228.db2.gz YSBYENQEZWWMLP-UHFFFAOYSA-N 0 3 323.437 2.329 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001567333464 1064148636 /nfs/dbraw/zinc/14/86/36/1064148636.db2.gz WAUMHCBJZANEQS-HNNXBMFYSA-N 0 3 320.408 2.111 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001567368588 1064166365 /nfs/dbraw/zinc/16/63/65/1064166365.db2.gz ZGJWQGIXCOECCR-ZDUSSCGKSA-N 0 3 317.389 2.158 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001567373399 1064168273 /nfs/dbraw/zinc/16/82/73/1064168273.db2.gz HMHAJPGMCPGTTH-FUHWJXTLSA-N 0 3 314.429 2.110 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001567386101 1064174499 /nfs/dbraw/zinc/17/44/99/1064174499.db2.gz AIJLDDBIWAVERV-SJORKVTESA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001567425375 1064194594 /nfs/dbraw/zinc/19/45/94/1064194594.db2.gz MKLABMRERJFARI-UHFFFAOYSA-N 0 3 301.434 2.454 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC001567452074 1064204117 /nfs/dbraw/zinc/20/41/17/1064204117.db2.gz LECYWJNVJIYRIQ-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1COc2ccccc21)C1CC1 ZINC001567456108 1064206089 /nfs/dbraw/zinc/20/60/89/1064206089.db2.gz PDIDNSKLNUYOQC-INIZCTEOSA-N 0 3 300.402 2.319 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC001494329321 1064214904 /nfs/dbraw/zinc/21/49/04/1064214904.db2.gz OOPWINHPZCOEKG-HNNXBMFYSA-N 0 3 320.820 2.323 20 30 DEEDHN C[C@@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)C(F)(F)F ZINC001567544800 1064244956 /nfs/dbraw/zinc/24/49/56/1064244956.db2.gz KWXPTNCIDLDPQG-NSHDSACASA-N 0 3 313.323 2.305 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001567551252 1064248299 /nfs/dbraw/zinc/24/82/99/1064248299.db2.gz YIHVGVNEDDWGMK-UKRRQHHQSA-N 0 3 321.371 2.384 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CN(CCc2ccc(Cl)cc2)C1 ZINC001494539450 1064303155 /nfs/dbraw/zinc/30/31/55/1064303155.db2.gz XSKNZKTZGDJUDZ-GFCCVEGCSA-N 0 3 305.809 2.090 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC001567708496 1064362995 /nfs/dbraw/zinc/36/29/95/1064362995.db2.gz TXDMNHVYCSYBQM-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)NCC[C@H]1CCN(Cc2ccnn2C)C1 ZINC001567707993 1064364070 /nfs/dbraw/zinc/36/40/70/1064364070.db2.gz KCKIIWVZJKIKPL-HNNXBMFYSA-N 0 3 304.438 2.105 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001494724518 1064436214 /nfs/dbraw/zinc/43/62/14/1064436214.db2.gz SGIIWTAPVIKUAL-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ncn1 ZINC001567854000 1064461324 /nfs/dbraw/zinc/46/13/24/1064461324.db2.gz RPNGWRYJGGDJCZ-KKUMJFAQSA-N 0 3 300.406 2.038 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC001567887092 1064485474 /nfs/dbraw/zinc/48/54/74/1064485474.db2.gz BEALRVJWRJOKNQ-MRXNPFEDSA-N 0 3 301.434 2.409 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001567915757 1064514757 /nfs/dbraw/zinc/51/47/57/1064514757.db2.gz XFJFUYOMTHUSTN-CYBMUJFWSA-N 0 3 317.389 2.110 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cn2cc(Cl)cn2)C1 ZINC001494914021 1064569893 /nfs/dbraw/zinc/56/98/93/1064569893.db2.gz RLBLFJPMQUZREU-AWEZNQCLSA-N 0 3 310.829 2.035 20 30 DEEDHN CC[C@H](CNC(=O)Cc1ccco1)NCC#Cc1ccccc1 ZINC001567980862 1064577495 /nfs/dbraw/zinc/57/74/95/1064577495.db2.gz DWQAGVKHNKRKAU-QGZVFWFLSA-N 0 3 310.397 2.358 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001568130227 1064662031 /nfs/dbraw/zinc/66/20/31/1064662031.db2.gz UXGFRKNEHIJUSN-SJLPKXTDSA-N 0 3 320.477 2.291 20 30 DEEDHN CCCc1nc(C)c(CNC[C@@H](C)CNC(=O)C#CC(C)C)o1 ZINC001568170252 1064680657 /nfs/dbraw/zinc/68/06/57/1064680657.db2.gz GKXBIBXHHQICEZ-CQSZACIVSA-N 0 3 319.449 2.437 20 30 DEEDHN C=CC1(CC(=O)NC[C@H](CC)N[C@@H](C)C(=O)NC)CCCCC1 ZINC001495075547 1064681451 /nfs/dbraw/zinc/68/14/51/1064681451.db2.gz ZTEYIKXCDXSMJH-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C1CCCCC1 ZINC001568260131 1064736536 /nfs/dbraw/zinc/73/65/36/1064736536.db2.gz PFIKROLPLTUSOF-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001568262670 1064736918 /nfs/dbraw/zinc/73/69/18/1064736918.db2.gz MZRAMUJZTWYMID-ZIAGYGMSSA-N 0 3 317.820 2.288 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)CNCc1cc(C)ccc1F 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DEEDHN CC(=O)N1CCC[C@H](C)[C@H]1CNCC#Cc1ccc(F)cc1 ZINC001568417331 1064853780 /nfs/dbraw/zinc/85/37/80/1064853780.db2.gz WAAKXZCLLAITNW-KBXCAEBGSA-N 0 3 302.393 2.414 20 30 DEEDHN CC(C)[C@H](CNC(=O)c1ccccn1)NCC#Cc1ccccc1 ZINC001568441458 1064875489 /nfs/dbraw/zinc/87/54/89/1064875489.db2.gz ASLANYSJILCJSX-IBGZPJMESA-N 0 3 321.424 2.477 20 30 DEEDHN Cc1ncc(CN2CC[C@H]3CN(C(=O)C#CC(C)C)CC[C@@H]32)o1 ZINC001568510768 1064926232 /nfs/dbraw/zinc/92/62/32/1064926232.db2.gz MOUIYUDFTZXRPT-RDJZCZTQSA-N 0 3 315.417 2.065 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1cnc(C)o1 ZINC001568525390 1064935824 /nfs/dbraw/zinc/93/58/24/1064935824.db2.gz ZLNCRPDJAZHSJF-HOCLYGCPSA-N 0 3 303.406 2.161 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)Cc2ccco2)cc1 ZINC001495495314 1064944742 /nfs/dbraw/zinc/94/47/42/1064944742.db2.gz AMKOCMOHXHPUOV-OAHLLOKOSA-N 0 3 310.397 2.497 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1cnns1 ZINC001568538775 1064949958 /nfs/dbraw/zinc/94/99/58/1064949958.db2.gz 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/nfs/dbraw/zinc/52/29/84/1078522984.db2.gz FAGCDOJMOWFDBO-ZDUSSCGKSA-N 0 3 320.462 2.245 20 30 DEEDHN N#CCc1ccnc(NC(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC001580055116 1067484168 /nfs/dbraw/zinc/48/41/68/1067484168.db2.gz GEWPMEMWESGKBA-INIZCTEOSA-N 0 3 321.384 2.156 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NCc2cnns2)C1 ZINC001267080526 1078555110 /nfs/dbraw/zinc/55/51/10/1078555110.db2.gz AULOXZUWBQNTPD-OLZOCXBDSA-N 0 3 308.451 2.411 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H](C)N[C@H](C)c1cnc(C)cn1 ZINC001267125076 1078601294 /nfs/dbraw/zinc/60/12/94/1078601294.db2.gz MUNFKEPHSRHBEG-UKRRQHHQSA-N 0 3 302.422 2.134 20 30 DEEDHN Cc1ncc(CNC[C@H](NC(=O)C#CC(C)C)C2CC2)s1 ZINC001483560700 1078597562 /nfs/dbraw/zinc/59/75/62/1078597562.db2.gz XUVCRONJUPSIMI-HNNXBMFYSA-N 0 3 305.447 2.095 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](OC)c1cccc(OC)c1 ZINC001640020569 1078637641 /nfs/dbraw/zinc/63/76/41/1078637641.db2.gz XZFSVRKQSYSCKW-QGZVFWFLSA-N 0 3 320.433 2.349 20 30 DEEDHN Cc1ccc(F)c(CN[C@H](C)[C@H](C)NC(=O)CSCC#N)c1 ZINC001570589752 1068023985 /nfs/dbraw/zinc/02/39/85/1068023985.db2.gz JNIBAOJYMTXCJG-OLZOCXBDSA-N 0 3 323.437 2.374 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712934 1068087094 /nfs/dbraw/zinc/08/70/94/1068087094.db2.gz VLTFOHBHAHQIDF-STQMWFEESA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712934 1068087106 /nfs/dbraw/zinc/08/71/06/1068087106.db2.gz VLTFOHBHAHQIDF-STQMWFEESA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001570723518 1068094827 /nfs/dbraw/zinc/09/48/27/1068094827.db2.gz FHIDEXRIBXMZOR-NXHRZFHOSA-N 0 3 316.445 2.399 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2c(C)noc2Cl)C1 ZINC001570855375 1068141481 /nfs/dbraw/zinc/14/14/81/1068141481.db2.gz AKQRNMJAASBREF-SNVBAGLBSA-N 0 3 311.813 2.192 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccccn2)C(C)(C)C1 ZINC001570899800 1068154099 /nfs/dbraw/zinc/15/40/99/1068154099.db2.gz UYRXKDGFARLKBT-INIZCTEOSA-N 0 3 301.434 2.417 20 30 DEEDHN C[C@H](CCCNCc1cc(C2CC2)no1)NC(=O)C#CC1CC1 ZINC001571254576 1068205395 /nfs/dbraw/zinc/20/53/95/1068205395.db2.gz YIUFRIMHAXRWBY-CYBMUJFWSA-N 0 3 315.417 2.340 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC(N(C)CCF)CC1 ZINC001571332895 1068228806 /nfs/dbraw/zinc/22/88/06/1068228806.db2.gz XPNSQIZPHIYDJD-INIZCTEOSA-N 0 3 300.418 2.108 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(C(C)C)nn1CC ZINC001571394922 1068272261 /nfs/dbraw/zinc/27/22/61/1068272261.db2.gz VVKATAYUCBBMBE-CQSZACIVSA-N 0 3 304.438 2.100 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1sc(CC2CC2)nc1C ZINC001571410742 1068281984 /nfs/dbraw/zinc/28/19/84/1068281984.db2.gz PVAFLHBXFYLLGG-LBPRGKRZSA-N 0 3 319.474 2.477 20 30 DEEDHN CC(C)C(=O)N1CC[C@@H](NCC#Cc2ccc(F)cc2)[C@H]1C ZINC001571450351 1068297563 /nfs/dbraw/zinc/29/75/63/1068297563.db2.gz CCWLWNVJTKBGFN-RHSMWYFYSA-N 0 3 302.393 2.412 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2csc(C3CC3)n2)C1 ZINC001571493163 1068350970 /nfs/dbraw/zinc/35/09/70/1068350970.db2.gz NECITUQLLGXFEN-DGCLKSJQSA-N 0 3 303.431 2.236 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc(F)ccc1C)CCOC ZINC001571640965 1068455927 /nfs/dbraw/zinc/45/59/27/1068455927.db2.gz MQQPTEXHEPKXCN-UHFFFAOYSA-N 0 3 308.397 2.388 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)C2CCOCC2)CC1 ZINC001571644229 1068456990 /nfs/dbraw/zinc/45/69/90/1068456990.db2.gz ILDHPSQKDKCPEE-OAHLLOKOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1ccc(C)cc1 ZINC001267270433 1078716862 /nfs/dbraw/zinc/71/68/62/1078716862.db2.gz JAKCIWOPWOWJRN-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001267305855 1078751634 /nfs/dbraw/zinc/75/16/34/1078751634.db2.gz OPVMYMDVFKENSH-CABCVRRESA-N 0 3 318.392 2.054 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)COc2ccccc2CC)C1 ZINC001267306082 1078751716 /nfs/dbraw/zinc/75/17/16/1078751716.db2.gz QZNAGBVDQWPAHM-MRXNPFEDSA-N 0 3 314.429 2.089 20 30 DEEDHN COc1cccc(CN2CC([C@@H](C)NC(=O)[C@@H](C)C#N)C2)c1C ZINC001409863850 1078754863 /nfs/dbraw/zinc/75/48/63/1078754863.db2.gz ZBLKGFGGTVVSFY-GXTWGEPZSA-N 0 3 315.417 2.100 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C[C@@H](C)n1ccc(C)n1 ZINC001483670042 1078768780 /nfs/dbraw/zinc/76/87/80/1078768780.db2.gz IUGFIYWHFOCXBN-CVEARBPZSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001572543249 1068797830 /nfs/dbraw/zinc/79/78/30/1068797830.db2.gz VGIRSUBREKSFMM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493683429 1078784517 /nfs/dbraw/zinc/78/45/17/1078784517.db2.gz AOGPYJNWLDRGCH-HNNXBMFYSA-N 0 3 323.462 2.229 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C[C@H]1CCCCO1 ZINC001267360521 1078792848 /nfs/dbraw/zinc/79/28/48/1078792848.db2.gz JDBWNRPHGLERHB-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)[C@H](C)C2CC2)cc1C#N ZINC001267359333 1078792928 /nfs/dbraw/zinc/79/29/28/1078792928.db2.gz IHQJGHSHCRRNDZ-CYBMUJFWSA-N 0 3 315.417 2.161 20 30 DEEDHN CCc1nc(C(=O)N(C)CCNCc2ccc(C#N)s2)co1 ZINC001267363524 1078794922 /nfs/dbraw/zinc/79/49/22/1078794922.db2.gz BPUYEYYYJDJSOJ-UHFFFAOYSA-N 0 3 318.402 2.032 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001483686711 1078795059 /nfs/dbraw/zinc/79/50/59/1078795059.db2.gz UCHJPYVXXJZGLM-OAHLLOKOSA-N 0 3 306.381 2.143 20 30 DEEDHN COCC#CCNCCN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001493689017 1078828845 /nfs/dbraw/zinc/82/88/45/1078828845.db2.gz BUEZZDMNABKAHS-OAHLLOKOSA-N 0 3 320.408 2.017 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001483705824 1078830873 /nfs/dbraw/zinc/83/08/73/1078830873.db2.gz JIRHOIUUPVMUAC-SJORKVTESA-N 0 3 301.434 2.056 20 30 DEEDHN CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2OC)[C@H](CC)CN1 ZINC001573716411 1069077812 /nfs/dbraw/zinc/07/78/12/1069077812.db2.gz AJNRJXMBQBZPFZ-ZIAGYGMSSA-N 0 3 301.390 2.169 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1cccc2ccccc21 ZINC001267463003 1078873988 /nfs/dbraw/zinc/87/39/88/1078873988.db2.gz SRLSWEACOMLMPM-UHFFFAOYSA-N 0 3 310.397 2.151 20 30 DEEDHN C#CC[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC001574505685 1069233148 /nfs/dbraw/zinc/23/31/48/1069233148.db2.gz YAYKVRCKEVKODJ-VZDIDWBNSA-N 0 3 307.397 2.007 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C)[C@@H](C)C2)c1 ZINC001644953164 1078869489 /nfs/dbraw/zinc/86/94/89/1078869489.db2.gz PUDPHNQUDGGROB-KBPBESRZSA-N 0 3 313.401 2.294 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC001521482561 1069245372 /nfs/dbraw/zinc/24/53/72/1069245372.db2.gz PLSLNMRZMKWMOO-HNNXBMFYSA-N 0 3 323.387 2.297 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN[C@H](c2ccc(CC)cc2)C1 ZINC001574902741 1069291105 /nfs/dbraw/zinc/29/11/05/1069291105.db2.gz FGFJRPUPHRKNNH-MSOLQXFVSA-N 0 3 315.461 2.406 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC001574908388 1069294102 /nfs/dbraw/zinc/29/41/02/1069294102.db2.gz MAMUHCWEYYMOHX-QGZVFWFLSA-N 0 3 312.417 2.231 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)c(C(=O)OC)c(C)n1 ZINC001574908140 1069294666 /nfs/dbraw/zinc/29/46/66/1069294666.db2.gz FPAXJNOKRARXIT-LBPRGKRZSA-N 0 3 305.378 2.107 20 30 DEEDHN C=CCCC(=O)N(C)CC(C)(C)CNCc1cc2n(n1)CCC2 ZINC001329277169 1148880027 /nfs/dbraw/zinc/88/00/27/1148880027.db2.gz GXENABYIFIOPDL-UHFFFAOYSA-N 0 3 318.465 2.370 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C#CC(C)C)CC2)cc1C ZINC001483732793 1078908213 /nfs/dbraw/zinc/90/82/13/1078908213.db2.gz KLPYHMCEBJOBLB-UHFFFAOYSA-N 0 3 314.429 2.401 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc(C#C)cn2)C1 ZINC001267488341 1078914219 /nfs/dbraw/zinc/91/42/19/1078914219.db2.gz KJSWCLGHYBDNNQ-KRWDZBQOSA-N 0 3 309.413 2.013 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cccc2oc(C)nc21 ZINC001480954786 1078919491 /nfs/dbraw/zinc/91/94/91/1078919491.db2.gz LZUJPAKPNCTPPT-UHFFFAOYSA-N 0 3 317.389 2.000 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CC)NCc2ccnn2C)CCC1 ZINC001267818533 1079513509 /nfs/dbraw/zinc/51/35/09/1079513509.db2.gz IYLYGDNXZCBWNI-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N(C)C ZINC001645572085 1078922215 /nfs/dbraw/zinc/92/22/15/1078922215.db2.gz OBNBSUDYKPJIST-CABCVRRESA-N 0 3 321.446 2.018 20 30 DEEDHN CC(C)N(CCCNC(=O)[C@H](C)C#N)Cc1ccc(F)cn1 ZINC001267499517 1078927593 /nfs/dbraw/zinc/92/75/93/1078927593.db2.gz YZIXKGOGGDZGGQ-CYBMUJFWSA-N 0 3 306.385 2.097 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc3c(c2)CCC3)C1=O ZINC001272536094 1078952019 /nfs/dbraw/zinc/95/20/19/1078952019.db2.gz UGTUSJRQZHNHJL-FQEVSTJZSA-N 0 3 308.425 2.375 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3cc(C)n[nH]3)CC2)C1=O ZINC001272543070 1078956421 /nfs/dbraw/zinc/95/64/21/1078956421.db2.gz DYCJQKINPJEAGW-SFHVURJKSA-N 0 3 316.449 2.499 20 30 DEEDHN N#CCCCN1CCC2(CCN(Cc3ccco3)CC2)C1=O ZINC001272581575 1078981573 /nfs/dbraw/zinc/98/15/73/1078981573.db2.gz OILPXFWGCHSCKI-UHFFFAOYSA-N 0 3 301.390 2.398 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625266 1079019558 /nfs/dbraw/zinc/01/95/58/1079019558.db2.gz JJOMIWPZSXMPKK-GOSISDBHSA-N 0 3 316.401 2.011 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625266 1079019567 /nfs/dbraw/zinc/01/95/67/1079019567.db2.gz JJOMIWPZSXMPKK-GOSISDBHSA-N 0 3 316.401 2.011 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@@H]3CC[C@H](F)C3)CC2)c1 ZINC001483762291 1079083698 /nfs/dbraw/zinc/08/36/98/1079083698.db2.gz IGERYDBPTOFEDS-CVEARBPZSA-N 0 3 315.392 2.435 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(O)cc(Cl)c3)C2)C1=O ZINC001272673065 1079108295 /nfs/dbraw/zinc/10/82/95/1079108295.db2.gz LFSXUSSTWNLBCW-KRWDZBQOSA-N 0 3 318.804 2.103 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1ccnc(OC)n1 ZINC001649451013 1079126122 /nfs/dbraw/zinc/12/61/22/1079126122.db2.gz QLWNCQOIGRFUMQ-CYBMUJFWSA-N 0 3 320.437 2.072 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001649438771 1079120311 /nfs/dbraw/zinc/12/03/11/1079120311.db2.gz LHZQNUZLKLFJAD-DEYYWGMASA-N 0 3 317.433 2.429 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC/C=C\Cl)C1 ZINC001649457291 1079128210 /nfs/dbraw/zinc/12/82/10/1079128210.db2.gz JSPCFSBTVUOUMB-VGVVRCBHSA-N 0 3 300.830 2.158 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](OCC)C2CC2)CC1 ZINC001164545105 1089930212 /nfs/dbraw/zinc/93/02/12/1089930212.db2.gz GVJLNELWYHUZNP-CQSZACIVSA-N 0 3 314.857 2.430 20 30 DEEDHN CCC(C)(CC)C(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001483848546 1079149913 /nfs/dbraw/zinc/14/99/13/1079149913.db2.gz TWFOXLJWVPPOGZ-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN CC(C)c1cccc(CN2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001481082086 1079164428 /nfs/dbraw/zinc/16/44/28/1079164428.db2.gz BBDBSXTZJLKBKB-HUUCEWRRSA-N 0 3 314.433 2.303 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)COc2ccc(C(C)C)cc2)C1 ZINC001481099715 1079182499 /nfs/dbraw/zinc/18/24/99/1079182499.db2.gz IEAZAVSXLHCIGD-INIZCTEOSA-N 0 3 314.429 2.260 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ocnc2C)C[C@@H]1C ZINC001483906363 1079188472 /nfs/dbraw/zinc/18/84/72/1079188472.db2.gz SUADBENYHNMZGG-ZFWWWQNUSA-N 0 3 303.406 2.256 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC001483976655 1079221643 /nfs/dbraw/zinc/22/16/43/1079221643.db2.gz MCKIZVSVHNJKAI-ZDUSSCGKSA-N 0 3 318.465 2.297 20 30 DEEDHN C#CCN(C(=O)C1(CCF)CC1)C1CCN(CCOCC)CC1 ZINC001483985899 1079227582 /nfs/dbraw/zinc/22/75/82/1079227582.db2.gz NOMUZLJQIZIEFW-UHFFFAOYSA-N 0 3 324.440 2.089 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC001481141771 1079250053 /nfs/dbraw/zinc/25/00/53/1079250053.db2.gz GOUGQLLBCVOUBY-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001646164857 1074355908 /nfs/dbraw/zinc/35/59/08/1074355908.db2.gz QKOPCYAPZSITMP-HUUCEWRRSA-N 0 3 319.836 2.468 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1c[nH]nc1-c1ccco1 ZINC001481154510 1079262356 /nfs/dbraw/zinc/26/23/56/1079262356.db2.gz KFQYVYDCJAUZJN-UHFFFAOYSA-N 0 3 314.389 2.135 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC001481184437 1079303903 /nfs/dbraw/zinc/30/39/03/1079303903.db2.gz OWWMOGKVSHYFIG-CJNGLKHVSA-N 0 3 316.449 2.232 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cncc(C(F)F)c1)C2 ZINC001647374253 1074900422 /nfs/dbraw/zinc/90/04/22/1074900422.db2.gz MCEUYVULZOOKON-LOIXOFCESA-N 0 3 306.316 2.097 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001484166156 1079339975 /nfs/dbraw/zinc/33/99/75/1079339975.db2.gz GGLHTOMPFSRDKN-OCCSQVGLSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cccnc2OC)C1 ZINC001565870199 1075059035 /nfs/dbraw/zinc/05/90/35/1075059035.db2.gz MREAQMOGLHVUMA-CTYIDZIISA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001484194027 1079352719 /nfs/dbraw/zinc/35/27/19/1079352719.db2.gz SYSGRKLLTOLHRM-KBPBESRZSA-N 0 3 318.408 2.449 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)[C@H](CCCC)C(N)=O)C1 ZINC001267669759 1079357613 /nfs/dbraw/zinc/35/76/13/1079357613.db2.gz IVZNRWQLJXVBHX-LSDHHAIUSA-N 0 3 323.481 2.023 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001565759326 1075186823 /nfs/dbraw/zinc/18/68/23/1075186823.db2.gz XUUJEESDHUJUBK-UHFFFAOYSA-N 0 3 322.449 2.219 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC001565849686 1075196870 /nfs/dbraw/zinc/19/68/70/1075196870.db2.gz MIQIWHPECJETST-HRCADAONSA-N 0 3 314.433 2.216 20 30 DEEDHN Cc1noc(C)c1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001481206111 1079369939 /nfs/dbraw/zinc/36/99/39/1079369939.db2.gz NQQQHLWPNXQTGI-UHFFFAOYSA-N 0 3 318.402 2.086 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001565864629 1075200362 /nfs/dbraw/zinc/20/03/62/1075200362.db2.gz ZWFBNYJKRKEZCT-KOMQPUFPSA-N 0 3 302.393 2.470 20 30 DEEDHN CCC(C)(CC)C(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1 ZINC001566054396 1075220578 /nfs/dbraw/zinc/22/05/78/1075220578.db2.gz YVROVCLIPXYBHZ-SJORKVTESA-N 0 3 320.477 2.243 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)[C@@H]1C ZINC001566087466 1075227039 /nfs/dbraw/zinc/22/70/39/1075227039.db2.gz VBJPKCFORHVDPD-PMPSAXMXSA-N 0 3 306.450 2.040 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2cccc(CC)c2)[C@H]1C ZINC001566112971 1075230322 /nfs/dbraw/zinc/23/03/22/1075230322.db2.gz KFRJMIMHWCHKMY-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CN(C)C[C@H]1CCCCO1 ZINC001566119393 1075231803 /nfs/dbraw/zinc/23/18/03/1075231803.db2.gz HPJMJXGZJFUXKX-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001566524934 1075269913 /nfs/dbraw/zinc/26/99/13/1075269913.db2.gz GDMHMHOALXPHPV-GOEBONIOSA-N 0 3 300.402 2.388 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C[C@@H](C)OC ZINC001566542596 1075275587 /nfs/dbraw/zinc/27/55/87/1075275587.db2.gz NRCGTKQSLICMGE-QGZVFWFLSA-N 0 3 316.445 2.291 20 30 DEEDHN CCN(CCCNC(=O)C#CC1CC1)[C@H](C)c1cnc(C)cn1 ZINC001566550496 1075278075 /nfs/dbraw/zinc/27/80/75/1075278075.db2.gz KEKZQXNUISLUMK-OAHLLOKOSA-N 0 3 314.433 2.088 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CCC1(C)C)C1CC1 ZINC001566594340 1075291877 /nfs/dbraw/zinc/29/18/77/1075291877.db2.gz RATZBYYLKWHDDH-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CC[C@H]1CCCO1 ZINC001481208871 1079383039 /nfs/dbraw/zinc/38/30/39/1079383039.db2.gz IOAHYLXQFOTBBF-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN CC#CCN(CCCNC(=O)C[C@H](C)n1cccc1)C1CC1 ZINC001566601925 1075294566 /nfs/dbraw/zinc/29/45/66/1075294566.db2.gz DJPIOQPONKFRQX-INIZCTEOSA-N 0 3 301.434 2.433 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C2CCC=CCC2)CC1 ZINC001566646068 1075303710 /nfs/dbraw/zinc/30/37/10/1075303710.db2.gz IIFWAIYYFDORII-UHFFFAOYSA-N 0 3 319.493 2.433 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001566658051 1075307038 /nfs/dbraw/zinc/30/70/38/1075307038.db2.gz HXZQMXSKHVKMAS-INIZCTEOSA-N 0 3 322.836 2.276 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](NCc1ccnn1C)C1CC1 ZINC001566722848 1075326972 /nfs/dbraw/zinc/32/69/72/1075326972.db2.gz QLXRKQIXVSVLHD-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001267700295 1079388589 /nfs/dbraw/zinc/38/85/89/1079388589.db2.gz MOOJKXFBKXVKKK-HXUWFJFHSA-N 0 3 310.441 2.253 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCOCC(C)C)C1 ZINC001566825553 1075354390 /nfs/dbraw/zinc/35/43/90/1075354390.db2.gz XJDKGOYDCVPBEM-ROUUACIJSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001566923914 1075388217 /nfs/dbraw/zinc/38/82/17/1075388217.db2.gz CPYFFHXNEFISHZ-DOTOQJQBSA-N 0 3 318.465 2.461 20 30 DEEDHN CCCC1(C(=O)N[C@@H](C)[C@H]2CCCN(CC#CCOC)C2)CC1 ZINC001566966660 1075403199 /nfs/dbraw/zinc/40/31/99/1075403199.db2.gz YCKPEDMBAIROPZ-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001567042656 1075421446 /nfs/dbraw/zinc/42/14/46/1075421446.db2.gz WZFCXUOPDQHKOL-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001567171062 1075451605 /nfs/dbraw/zinc/45/16/05/1075451605.db2.gz BPVXRYNXWHYQHV-ZIAGYGMSSA-N 0 3 319.453 2.232 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCOc2ccccc2C)C1 ZINC001567202018 1075463130 /nfs/dbraw/zinc/46/31/30/1075463130.db2.gz BVNGYXPPBZSSHH-QGZVFWFLSA-N 0 3 314.429 2.320 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001329439700 1148895368 /nfs/dbraw/zinc/89/53/68/1148895368.db2.gz BNCNDPQYZABXLQ-GXTWGEPZSA-N 0 3 322.474 2.340 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@H](C)C(F)(F)F)C1 ZINC001267790466 1079498049 /nfs/dbraw/zinc/49/80/49/1079498049.db2.gz LPSJEURCUZSFFH-STQMWFEESA-N 0 3 322.371 2.310 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cccn2)C1 ZINC001267789778 1079498067 /nfs/dbraw/zinc/49/80/67/1079498067.db2.gz KTCALIJUCUDINE-JKSUJKDBSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)COCc2cccnc2)C1 ZINC001267791291 1079499117 /nfs/dbraw/zinc/49/91/17/1079499117.db2.gz XHJXXCOMDMJTOP-QGZVFWFLSA-N 0 3 317.433 2.097 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001581886421 1076109158 /nfs/dbraw/zinc/10/91/58/1076109158.db2.gz YEYBWXKMRCWEGI-JYJNAYRXSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001329443358 1148895817 /nfs/dbraw/zinc/89/58/17/1148895817.db2.gz ZBKKUXPYRYORKT-UONOGXRCSA-N 0 3 322.836 2.315 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001582475541 1076154829 /nfs/dbraw/zinc/15/48/29/1076154829.db2.gz ZXIQVEGVAYGWJB-YOEHRIQHSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CC)CNC(=O)CN(C)CCC)CC1 ZINC001582517828 1076157236 /nfs/dbraw/zinc/15/72/36/1076157236.db2.gz HWOWHIIZKJIDBY-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN CCN1CCC(NC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC001587488522 1076420154 /nfs/dbraw/zinc/42/01/54/1076420154.db2.gz IKAGPCGJVVCYKK-VMPITWQZSA-N 0 3 304.365 2.009 20 30 DEEDHN C=CCC[C@H](CCC)[NH2+]CCNc1ncccc1-c1nnn[n-]1 ZINC001588578246 1076455149 /nfs/dbraw/zinc/45/51/49/1076455149.db2.gz ZQZJRUDGPIOHBW-ZDUSSCGKSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CCC[C@H](CCC)[NH2+]CCNc1ncccc1-c1nn[n-]n1 ZINC001588578246 1076455152 /nfs/dbraw/zinc/45/51/52/1076455152.db2.gz ZQZJRUDGPIOHBW-ZDUSSCGKSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CC[C@H]1CC[C@@H]([NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588561150 1076455274 /nfs/dbraw/zinc/45/52/74/1076455274.db2.gz YGMFGNCASNHIIP-GXTWGEPZSA-N 0 3 313.409 2.008 20 30 DEEDHN C=CC[C@H]1CC[C@@H]([NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588561150 1076455275 /nfs/dbraw/zinc/45/52/75/1076455275.db2.gz YGMFGNCASNHIIP-GXTWGEPZSA-N 0 3 313.409 2.008 20 30 DEEDHN C=CCC[NH2+][C@H](CC)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001267821591 1079515999 /nfs/dbraw/zinc/51/59/99/1079515999.db2.gz PNIZQRSUOIKPEJ-GFCCVEGCSA-N 0 3 314.389 2.010 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(CNC(=O)CC)cc1 ZINC001272682377 1079581051 /nfs/dbraw/zinc/58/10/51/1079581051.db2.gz JZTFSGWSQJXTRX-UONOGXRCSA-N 0 3 317.433 2.054 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CN(Cc3cnoc3C)C[C@H]2C1 ZINC001484411023 1079596602 /nfs/dbraw/zinc/59/66/02/1079596602.db2.gz WBSAVKXHWHKAQF-CALCHBBNSA-N 0 3 315.417 2.067 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@](C)(CC(C)C)C(=O)OCC ZINC001650408649 1079597839 /nfs/dbraw/zinc/59/78/39/1079597839.db2.gz SHKLQUPFCJFSSA-DOMZBBRYSA-N 0 3 318.845 2.188 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)CCCC2CCCC2)C1 ZINC001484450555 1079614955 /nfs/dbraw/zinc/61/49/55/1079614955.db2.gz PCKGASKWAAXJMF-IBGZPJMESA-N 0 3 320.477 2.313 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C[C@H]2CCCCO2)cc1 ZINC001267936995 1079617099 /nfs/dbraw/zinc/61/70/99/1079617099.db2.gz WBMLOWQDKOKECS-GOSISDBHSA-N 0 3 314.429 2.375 20 30 DEEDHN CCC(=O)N1CC[C@H](CCNCc2ccc(C#N)cc2F)C1 ZINC001484503285 1079632796 /nfs/dbraw/zinc/63/27/96/1079632796.db2.gz OZUMHHLVMIPPFE-ZDUSSCGKSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001484510980 1079635945 /nfs/dbraw/zinc/63/59/45/1079635945.db2.gz FALINIDFYIZJOB-LBPRGKRZSA-N 0 3 311.788 2.415 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](CCNCc2cc(F)ccc2F)C1 ZINC001484514329 1079637891 /nfs/dbraw/zinc/63/78/91/1079637891.db2.gz YWHHILGKIOZZJR-CHWSQXEVSA-N 0 3 321.371 2.453 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC001484544474 1079653029 /nfs/dbraw/zinc/65/30/29/1079653029.db2.gz WJXOHAIEZLQPNI-GFCCVEGCSA-N 0 3 312.797 2.483 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CO1 ZINC001484555871 1079661907 /nfs/dbraw/zinc/66/19/07/1079661907.db2.gz BHNRQLURUBRLGZ-WMLDXEAASA-N 0 3 302.418 2.346 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@]2(C)CCCOC2)cc1 ZINC001484563500 1079662593 /nfs/dbraw/zinc/66/25/93/1079662593.db2.gz PBNLSEQOWKUBDP-DNVCBOLYSA-N 0 3 314.429 2.403 20 30 DEEDHN CCO[C@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001484625401 1079686488 /nfs/dbraw/zinc/68/64/88/1079686488.db2.gz CGQKWBBIQFIIQA-GFCCVEGCSA-N 0 3 321.446 2.173 20 30 DEEDHN COCC#CCNCCN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001481317992 1079714703 /nfs/dbraw/zinc/71/47/03/1079714703.db2.gz PIERYRKXVNHWTP-HNNXBMFYSA-N 0 3 320.408 2.017 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC001484717016 1079741457 /nfs/dbraw/zinc/74/14/57/1079741457.db2.gz CEYMLTADTLQLQX-HNNXBMFYSA-N 0 3 324.428 2.099 20 30 DEEDHN C=CC[N@@H+](CCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC001481349830 1079742126 /nfs/dbraw/zinc/74/21/26/1079742126.db2.gz CELSXWZXDKVWOW-UHFFFAOYSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CC[N@H+](CCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC001481349830 1079742133 /nfs/dbraw/zinc/74/21/33/1079742133.db2.gz CELSXWZXDKVWOW-UHFFFAOYSA-N 0 3 318.421 2.076 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1csc(C)c1C ZINC001484743939 1079762735 /nfs/dbraw/zinc/76/27/35/1079762735.db2.gz AOXJARFSKRUROT-UHFFFAOYSA-N 0 3 322.474 2.409 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccn(C(F)F)n2)C1 ZINC001481400604 1079787111 /nfs/dbraw/zinc/78/71/11/1079787111.db2.gz QXPKXNXRFSTPTM-ZDUSSCGKSA-N 0 3 324.375 2.228 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccn(C(F)F)n2)C1 ZINC001481400602 1079787277 /nfs/dbraw/zinc/78/72/77/1079787277.db2.gz QXPKXNXRFSTPTM-CYBMUJFWSA-N 0 3 324.375 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCC)[C@H]2CCN(CCOC)C2)cc1 ZINC001481404493 1079791243 /nfs/dbraw/zinc/79/12/43/1079791243.db2.gz NFGVLKOQLZCRCT-SFHVURJKSA-N 0 3 314.429 2.241 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)c2ccsc2C)C1 ZINC001481429916 1079833059 /nfs/dbraw/zinc/83/30/59/1079833059.db2.gz IWPOPOGQCHDHJJ-HNNXBMFYSA-N 0 3 320.458 2.148 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481446007 1079862334 /nfs/dbraw/zinc/86/23/34/1079862334.db2.gz JKTXAAMHAYRRAQ-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(CCOC)CC2)C(C)(C)C1 ZINC001484935972 1079868604 /nfs/dbraw/zinc/86/86/04/1079868604.db2.gz CZLFSOZKUQDYLC-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 ZINC001484947278 1079873562 /nfs/dbraw/zinc/87/35/62/1079873562.db2.gz YCRNJJUAILQABL-INIZCTEOSA-N 0 3 321.509 2.463 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC001484964520 1079879500 /nfs/dbraw/zinc/87/95/00/1079879500.db2.gz KTLYZFJPBVNING-LBPRGKRZSA-N 0 3 314.857 2.118 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](F)C(C)C ZINC001485044515 1079928683 /nfs/dbraw/zinc/92/86/83/1079928683.db2.gz QUENPCWKWWHBPL-IXDOHACOSA-N 0 3 302.393 2.376 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)CC(F)(F)F ZINC001485051761 1079938937 /nfs/dbraw/zinc/93/89/37/1079938937.db2.gz PPYWEKLOAOJRDF-GFCCVEGCSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1nc(C)sc1C ZINC001485063967 1079954177 /nfs/dbraw/zinc/95/41/77/1079954177.db2.gz WHNAFCUTKGLRCI-AWEZNQCLSA-N 0 3 307.463 2.411 20 30 DEEDHN C=CCCC(=O)NC1CC(CNCc2ccn(C(C)C)n2)C1 ZINC001485088896 1079968236 /nfs/dbraw/zinc/96/82/36/1079968236.db2.gz LSCXZZKVOSZCEM-UHFFFAOYSA-N 0 3 304.438 2.415 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)c1n[nH]c(CC)n1 ZINC001268064429 1080006300 /nfs/dbraw/zinc/00/63/00/1080006300.db2.gz 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ZINC001268096496 1080068653 /nfs/dbraw/zinc/06/86/53/1080068653.db2.gz QJRZKSHLKYOBSJ-FAEJEUNOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001485231847 1080078657 /nfs/dbraw/zinc/07/86/57/1080078657.db2.gz LDGNIHCCVYJJOZ-GJZGRUSLSA-N 0 3 323.868 2.354 20 30 DEEDHN Cc1ncoc1CNC1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 ZINC001485237161 1080082900 /nfs/dbraw/zinc/08/29/00/1080082900.db2.gz VOIBDCSIPFOBJL-XGNXJENSSA-N 0 3 304.394 2.002 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1n[nH]c(C)n1 ZINC001656542483 1080101838 /nfs/dbraw/zinc/10/18/38/1080101838.db2.gz HWWBXJXHOLMZDB-HIFRSBDPSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccc(F)c(F)c2)[C@H]1CC ZINC001656768114 1080121197 /nfs/dbraw/zinc/12/11/97/1080121197.db2.gz UGYJXEYIFYUUEK-JKSUJKDBSA-N 0 3 324.371 2.499 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(-n2cncn2)nc1 ZINC001656761370 1080121864 /nfs/dbraw/zinc/12/18/64/1080121864.db2.gz NASIMAIGVIGGAZ-UHFFFAOYSA-N 0 3 318.384 2.441 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@H]1C ZINC001656997821 1080145135 /nfs/dbraw/zinc/14/51/35/1080145135.db2.gz LCXZFWICBQXZMI-NEPJUHHUSA-N 0 3 304.381 2.059 20 30 DEEDHN C#Cc1ccc(CNCc2ccc(-c3nncnn3)cc2)cc1 ZINC001658218693 1080202562 /nfs/dbraw/zinc/20/25/62/1080202562.db2.gz KUJVZBSJFRMQIV-UHFFFAOYSA-N 0 3 301.353 2.205 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001268232523 1080212235 /nfs/dbraw/zinc/21/22/35/1080212235.db2.gz LUBATMRJGVMHSI-QGZVFWFLSA-N 0 3 320.408 2.406 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN(C)Cc1cc(C)cc(C)c1 ZINC001268238061 1080220377 /nfs/dbraw/zinc/22/03/77/1080220377.db2.gz VDNIMSRAVIUENR-QGZVFWFLSA-N 0 3 316.445 2.232 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](CCCC)CN[C@@H]1CCN(C)C1=O ZINC001485468813 1080224574 /nfs/dbraw/zinc/22/45/74/1080224574.db2.gz OKHQLUFIHYBAMA-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)C1CC2(CCC2)C1 ZINC001485468809 1080225360 /nfs/dbraw/zinc/22/53/60/1080225360.db2.gz OJLZDOIGVWUZNM-KRWDZBQOSA-N 0 3 320.477 2.481 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2nsnc21 ZINC001268253706 1080233429 /nfs/dbraw/zinc/23/34/29/1080233429.db2.gz CMTZDPSYNSKCEQ-UHFFFAOYSA-N 0 3 304.419 2.271 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc2c(c1)COC2 ZINC001268255708 1080234238 /nfs/dbraw/zinc/23/42/38/1080234238.db2.gz KWBXVDRQHAOXBH-UHFFFAOYSA-N 0 3 302.418 2.226 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C)nc1OCCC ZINC001268254163 1080234721 /nfs/dbraw/zinc/23/47/21/1080234721.db2.gz LBWRJKIDJSSFGW-UHFFFAOYSA-N 0 3 317.433 2.206 20 30 DEEDHN C=CCOCCN1CCCCC[C@H]1CNC(=O)C(C)(C)F ZINC001485473023 1080237059 /nfs/dbraw/zinc/23/70/59/1080237059.db2.gz OGCSRBPYNMIGOJ-AWEZNQCLSA-N 0 3 300.418 2.298 20 30 DEEDHN CCC(CC)CC(=O)N1CC[C@H]2[C@H](CCN2CC#CCOC)C1 ZINC001268268221 1080246605 /nfs/dbraw/zinc/24/66/05/1080246605.db2.gz QKIBBEQXPGQPLN-MSOLQXFVSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(COC)CC2)cc1 ZINC001272700081 1080269100 /nfs/dbraw/zinc/26/91/00/1080269100.db2.gz HDVKYVFHVQSPMQ-CQSZACIVSA-N 0 3 300.402 2.013 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOC1 ZINC001481668411 1080276067 /nfs/dbraw/zinc/27/60/67/1080276067.db2.gz UFPXPPMIAZLAND-IKGGRYGDSA-N 0 3 306.450 2.445 20 30 DEEDHN C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCCN([O-])C1=O ZINC001660167861 1080281113 /nfs/dbraw/zinc/28/11/13/1080281113.db2.gz VMZHKBBTAZCSBX-DYVFJYSZSA-N 0 3 302.418 2.466 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCC1CCOCC1 ZINC001481673121 1080283523 /nfs/dbraw/zinc/28/35/23/1080283523.db2.gz UNEGUOLCNVALEF-IRXDYDNUSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001481672262 1080283782 /nfs/dbraw/zinc/28/37/82/1080283782.db2.gz XTJBZJJKGXVTNU-SZMVWBNQSA-N 0 3 316.445 2.200 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CN(C[C@H]2CCCCO2)CC1(C)C ZINC001485569903 1080300628 /nfs/dbraw/zinc/30/06/28/1080300628.db2.gz OQDCZMJOUDGKSR-CVEARBPZSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(CCCOc2ccccc2)C1 ZINC001481687668 1080302314 /nfs/dbraw/zinc/30/23/14/1080302314.db2.gz ROCYXZNUDHRYDB-KRWDZBQOSA-N 0 3 314.429 2.450 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001660356248 1080316551 /nfs/dbraw/zinc/31/65/51/1080316551.db2.gz OLHQGGLXRYKVAB-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2)C1 ZINC001481711653 1080347722 /nfs/dbraw/zinc/34/77/22/1080347722.db2.gz NANJJMOXJTYIHO-INIZCTEOSA-N 0 3 306.381 2.175 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)CC(F)(F)F ZINC001268350118 1080356903 /nfs/dbraw/zinc/35/69/03/1080356903.db2.gz TYPQGHKJMNWITN-QMMMGPOBSA-N 0 3 317.149 2.332 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2)C1 ZINC001485706443 1080372882 /nfs/dbraw/zinc/37/28/82/1080372882.db2.gz BBGOYOVKESSMNF-SHTZXODSSA-N 0 3 321.852 2.360 20 30 DEEDHN Cc1nocc1CNCCC[C@H](C)NC(=O)C#CC(C)(C)C ZINC001485722565 1080392019 /nfs/dbraw/zinc/39/20/19/1080392019.db2.gz NBYBVMRIVATGQQ-ZDUSSCGKSA-N 0 3 305.422 2.407 20 30 DEEDHN CN(C(=O)CSCC#N)C1CCN(Cc2ccsc2)CC1 ZINC001660761439 1080392400 /nfs/dbraw/zinc/39/24/00/1080392400.db2.gz RLKHFBFMILDGNH-UHFFFAOYSA-N 0 3 323.487 2.428 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001660838485 1080406389 /nfs/dbraw/zinc/40/63/89/1080406389.db2.gz WXELPXMTJORRMH-NVXWUHKLSA-N 0 3 312.429 2.442 20 30 DEEDHN C#CCCN1CCN(CCCNC(=O)CC2CCCCC2)CC1 ZINC001660868816 1080411226 /nfs/dbraw/zinc/41/12/26/1080411226.db2.gz KOIFIJVXWPKWTH-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN CN(C(=O)C1CC1)[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001485796376 1080427692 /nfs/dbraw/zinc/42/76/92/1080427692.db2.gz KGGQIEDPIZGBIK-OAHLLOKOSA-N 0 3 303.431 2.356 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001481747087 1080430331 /nfs/dbraw/zinc/43/03/31/1080430331.db2.gz LSKWWSVPAPAXON-QZTJIDSGSA-N 0 3 315.461 2.398 20 30 DEEDHN C=CCCCCC[NH2+][C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001661339109 1080471172 /nfs/dbraw/zinc/47/11/72/1080471172.db2.gz RPZPEJDOBYZTLM-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN COc1ccc(CNCCNC(=O)C[C@@H](C)C(C)C)cc1C#N ZINC001124681506 1080473324 /nfs/dbraw/zinc/47/33/24/1080473324.db2.gz PYROFPOUZVOLFF-CQSZACIVSA-N 0 3 317.433 2.455 20 30 DEEDHN Cc1cccnc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272715338 1080481372 /nfs/dbraw/zinc/48/13/72/1080481372.db2.gz GYEQKQDDRMVFMR-IAGOWNOFSA-N 0 3 312.417 2.259 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCc2ccccn2)C1 ZINC001661456048 1080483958 /nfs/dbraw/zinc/48/39/58/1080483958.db2.gz SULNERURTYSHOP-JFIYKMOQSA-N 0 3 317.433 2.047 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](OCC)C(C)C)C1 ZINC001481768660 1080485071 /nfs/dbraw/zinc/48/50/71/1080485071.db2.gz QZUGQVJGKIDUTD-IRXDYDNUSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ccn(C)c2C)C1 ZINC001481773926 1080490251 /nfs/dbraw/zinc/49/02/51/1080490251.db2.gz GAFHLYIMAVILTD-INIZCTEOSA-N 0 3 319.449 2.073 20 30 DEEDHN C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001661761419 1080519307 /nfs/dbraw/zinc/51/93/07/1080519307.db2.gz AMZLTBBBJTTWSD-HNNXBMFYSA-N 0 3 318.417 2.037 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCc2ccoc2)C1 ZINC001661989551 1080557318 /nfs/dbraw/zinc/55/73/18/1080557318.db2.gz OXLFMAQJGDLVMP-DOTOQJQBSA-N 0 3 302.418 2.452 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001661989417 1080557878 /nfs/dbraw/zinc/55/78/78/1080557878.db2.gz NFNRHIAAUPCBMR-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCc2ccoc2)C1 ZINC001661989552 1080558449 /nfs/dbraw/zinc/55/84/49/1080558449.db2.gz OXLFMAQJGDLVMP-NVXWUHKLSA-N 0 3 302.418 2.452 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)CCC1 ZINC001662329999 1080597193 /nfs/dbraw/zinc/59/71/93/1080597193.db2.gz QHEILYOOJQANRP-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN C#CCOc1ccc(CNCc2ccc3c(c2)nnn3C)cc1 ZINC001662488222 1080611730 /nfs/dbraw/zinc/61/17/30/1080611730.db2.gz UANGMTVOVUFNFX-UHFFFAOYSA-N 0 3 306.369 2.270 20 30 DEEDHN C#CCNCCN(CC)C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001268486425 1080615640 /nfs/dbraw/zinc/61/56/40/1080615640.db2.gz YSCWUIOKBMQYAB-QGZVFWFLSA-N 0 3 302.418 2.224 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001662554092 1080615982 /nfs/dbraw/zinc/61/59/82/1080615982.db2.gz LHFURYNPSMFOTQ-AWEZNQCLSA-N 0 3 306.793 2.176 20 30 DEEDHN Cc1nc(C)c(CNC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)o1 ZINC001662630366 1080624157 /nfs/dbraw/zinc/62/41/57/1080624157.db2.gz IATBQZMRWANWFF-HNNXBMFYSA-N 0 3 317.433 2.279 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@]2(CNCCF)CCCC[C@@H]2C)cn1 ZINC001481963140 1080648704 /nfs/dbraw/zinc/64/87/04/1080648704.db2.gz SVMGYAGSIXBXNL-KBXCAEBGSA-N 0 3 317.408 2.301 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cnoc2C2CC2)C1 ZINC001662867344 1080670146 /nfs/dbraw/zinc/67/01/46/1080670146.db2.gz IDIWKKIVCYZJNV-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(CCOC)CCCC2)C1 ZINC001662877547 1080671371 /nfs/dbraw/zinc/67/13/71/1080671371.db2.gz 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C#CCCN1CCC(F)(F)[C@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001271086882 1081902363 /nfs/dbraw/zinc/90/23/63/1081902363.db2.gz RUYYWSKOUSARBO-NRMKIYEFSA-N 0 3 310.388 2.439 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CCNCc1cnnn1C ZINC001482455533 1081903380 /nfs/dbraw/zinc/90/33/80/1081903380.db2.gz MRMDSYWZMVAGBW-HNNXBMFYSA-N 0 3 319.453 2.032 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCc1cn(C)nc1C ZINC001271092800 1081905046 /nfs/dbraw/zinc/90/50/46/1081905046.db2.gz LPECERAWKQHKKW-DYVFJYSZSA-N 0 3 306.454 2.267 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1c(C)cccc1Cl ZINC001271093424 1081906628 /nfs/dbraw/zinc/90/66/28/1081906628.db2.gz NZCBMXWFAQKNPO-CQSZACIVSA-N 0 3 322.836 2.348 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)Cn1ccnc1C ZINC001266244467 1081912606 /nfs/dbraw/zinc/91/26/06/1081912606.db2.gz PYIRWPGVNXYNNO-HNNXBMFYSA-N 0 3 324.856 2.305 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001266273194 1081931903 /nfs/dbraw/zinc/93/19/03/1081931903.db2.gz HMWDIJRTMZRHIO-IRXDYDNUSA-N 0 3 307.482 2.123 20 30 DEEDHN C#CCOCCC(=O)NCCN(C)[C@H](C)c1cccc(C)c1 ZINC001266275439 1081932678 /nfs/dbraw/zinc/93/26/78/1081932678.db2.gz YWIYEZZBSFWXOO-MRXNPFEDSA-N 0 3 302.418 2.144 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccc(CCC)s2)C1 ZINC001271152123 1081938278 /nfs/dbraw/zinc/93/82/78/1081938278.db2.gz JEQCRQFPPXDEPZ-KRWDZBQOSA-N 0 3 322.474 2.443 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccc3ccccc3c2)C1 ZINC001271219210 1081992882 /nfs/dbraw/zinc/99/28/82/1081992882.db2.gz FPRBQYMRAIUAJX-IBGZPJMESA-N 0 3 310.397 2.192 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001266355046 1081994378 /nfs/dbraw/zinc/99/43/78/1081994378.db2.gz YOJFCXBHOJHALI-MRXNPFEDSA-N 0 3 322.836 2.230 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001266391993 1082015838 /nfs/dbraw/zinc/01/58/38/1082015838.db2.gz BQNJFQQUVVIGHZ-MRXNPFEDSA-N 0 3 302.393 2.271 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](NCc1cnc(C)nc1)C1CC1 ZINC001266412482 1082026728 /nfs/dbraw/zinc/02/67/28/1082026728.db2.gz UOOGEIUKZMDQGW-MRXNPFEDSA-N 0 3 302.422 2.126 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC001088121036 1082037823 /nfs/dbraw/zinc/03/78/23/1082037823.db2.gz LGZDVUSATGHRET-SJORKVTESA-N 0 3 307.397 2.195 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccns1 ZINC001482487511 1082040638 /nfs/dbraw/zinc/04/06/38/1082040638.db2.gz ICFBATHGDDKZPU-DZGCQCFKSA-N 0 3 323.462 2.062 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1cccc(C)c1 ZINC001266461418 1082052389 /nfs/dbraw/zinc/05/23/89/1082052389.db2.gz OULQDBHJUIIPRJ-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)COc2ccc(C)c(C)c2)C1 ZINC001266548470 1082143836 /nfs/dbraw/zinc/14/38/36/1082143836.db2.gz ATXQDJWQGKRFNQ-KRWDZBQOSA-N 0 3 314.429 2.144 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccnc(O[C@@H](C)CC)c2)C1 ZINC001266559881 1082158162 /nfs/dbraw/zinc/15/81/62/1082158162.db2.gz QWDSLZBPQFMMMT-HOCLYGCPSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN(CCNC(=O)C[C@H](C)n1ccc(C)n1)C1CC1 ZINC001266604556 1082190893 /nfs/dbraw/zinc/19/08/93/1082190893.db2.gz JILXHRUFYQAHKD-HNNXBMFYSA-N 0 3 304.438 2.299 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001670646270 1082202982 /nfs/dbraw/zinc/20/29/82/1082202982.db2.gz QQOGIKIHUNMQPU-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001266614417 1082214547 /nfs/dbraw/zinc/21/45/47/1082214547.db2.gz DJTVZHNSLXFYTQ-KKUMJFAQSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001670719231 1082249474 /nfs/dbraw/zinc/24/94/74/1082249474.db2.gz MVESRAOEYLJFTI-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN CN(CCN(C)C(=O)C1(C)CC1)Cc1ccc(OCC#N)cc1 ZINC001482597544 1082349178 /nfs/dbraw/zinc/34/91/78/1082349178.db2.gz FOSUURJXYZFWSX-UHFFFAOYSA-N 0 3 315.417 2.279 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](CN[C@@H](C)c2nncn2C)C1 ZINC001266804166 1082357368 /nfs/dbraw/zinc/35/73/68/1082357368.db2.gz CQIFEZGGFDSCDO-LSDHHAIUSA-N 0 3 319.453 2.061 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1scnc1C(F)(F)F ZINC001482603428 1082372560 /nfs/dbraw/zinc/37/25/60/1082372560.db2.gz FDGSQZWLPVDDQX-UHFFFAOYSA-N 0 3 307.341 2.352 20 30 DEEDHN C#CCC1(C(=O)NC[C@H]2CCCCN2CCCO)CCCCC1 ZINC001266859245 1082403611 /nfs/dbraw/zinc/40/36/11/1082403611.db2.gz KHOHGQDUPGAFPO-QGZVFWFLSA-N 0 3 320.477 2.313 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(-n2cccc2)ccn1 ZINC001482640019 1082428643 /nfs/dbraw/zinc/42/86/43/1082428643.db2.gz BFAYKRFKJMTNNX-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H]3[C@@H](CCN3CCF)C2)CCOCC1 ZINC001482668579 1082450903 /nfs/dbraw/zinc/45/09/03/1082450903.db2.gz WMBKOFUBPPOSAA-HOTGVXAUSA-N 0 3 324.440 2.252 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C2CC=CC2)cc1C#N ZINC001266930694 1082460185 /nfs/dbraw/zinc/46/01/85/1082460185.db2.gz ZFYADLOAVMAHEB-CYBMUJFWSA-N 0 3 313.401 2.127 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@@H](C)CSC ZINC001482817210 1082522111 /nfs/dbraw/zinc/52/21/11/1082522111.db2.gz SEVIMYALOOOUSC-GXSJLCMTSA-N 0 3 323.300 2.379 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1cnc(C)cn1 ZINC001482837047 1082526297 /nfs/dbraw/zinc/52/62/97/1082526297.db2.gz SRZBPOYQMNJZEQ-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001482854833 1082533237 /nfs/dbraw/zinc/53/32/37/1082533237.db2.gz QHCNCYSDKWBRCM-VHDGCEQUSA-N 0 3 314.857 2.286 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNCc1cc(C)ncn1 ZINC001482867252 1082536583 /nfs/dbraw/zinc/53/65/83/1082536583.db2.gz GXNBFPIUYYTMHS-CXAGYDPISA-N 0 3 304.438 2.372 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001483008102 1082621248 /nfs/dbraw/zinc/62/12/48/1082621248.db2.gz SBZFZGYYJVRFOW-PIIXRYACSA-N 0 3 306.450 2.257 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001483050341 1082663021 /nfs/dbraw/zinc/66/30/21/1082663021.db2.gz VYAQVTPVYFKYKU-ZFJKXITBSA-N 0 3 309.413 2.366 20 30 DEEDHN CC[C@@H](CC(=O)NC/C=C\CNCC#CCOC)C(C)(C)C ZINC001483082492 1082696781 /nfs/dbraw/zinc/69/67/81/1082696781.db2.gz QYPCXDWMXCIAGF-PTZVLDCSSA-N 0 3 308.466 2.361 20 30 DEEDHN Cc1ocnc1C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001409304317 1082755376 /nfs/dbraw/zinc/75/53/76/1082755376.db2.gz MEHVGQVFQFNDPV-UWVGGRQHSA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@H](CNC(=O)c1cccnc1)N(C)Cc1cccc(C#N)c1 ZINC001409496410 1082923925 /nfs/dbraw/zinc/92/39/25/1082923925.db2.gz VWGAFWFXDQGQDJ-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409617812 1082988168 /nfs/dbraw/zinc/98/81/68/1082988168.db2.gz ZRKSUECBNPGGSC-CJNGLKHVSA-N 0 3 305.397 2.489 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409671973 1083013547 /nfs/dbraw/zinc/01/35/47/1083013547.db2.gz XCEVZWMMNMEYJE-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)Cc1ccco1 ZINC001483276361 1083069491 /nfs/dbraw/zinc/06/94/91/1083069491.db2.gz OTWFSOFJXWXUFI-LBPRGKRZSA-N 0 3 315.348 2.127 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1sccc1C(F)F ZINC001483287712 1083074506 /nfs/dbraw/zinc/07/45/06/1083074506.db2.gz JRFSFZCJZLTZEB-JTQLQIEISA-N 0 3 316.373 2.043 20 30 DEEDHN CC(C)OCCC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001483315862 1083092788 /nfs/dbraw/zinc/09/27/88/1083092788.db2.gz YTGUEPAEFISUDG-OAHLLOKOSA-N 0 3 317.433 2.310 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCc2cccc(OC)c2)C1 ZINC001493220924 1083556160 /nfs/dbraw/zinc/55/61/60/1083556160.db2.gz YMBJWJJRZFBIRQ-QGZVFWFLSA-N 0 3 314.429 2.089 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCN1CC1CCC2(CC2)CC1 ZINC001276792179 1083612913 /nfs/dbraw/zinc/61/29/13/1083612913.db2.gz DBDYDLJBKKDVOG-OAHLLOKOSA-N 0 3 321.490 2.404 20 30 DEEDHN C/C=C(/C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001490883533 1083685933 /nfs/dbraw/zinc/68/59/33/1083685933.db2.gz YMPKYPPVKWOLDR-KDTWNZNPSA-N 0 3 313.401 2.270 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001277039771 1083744376 /nfs/dbraw/zinc/74/43/76/1083744376.db2.gz LDZCLDMHNAKLFA-XEZPLFJOSA-N 0 3 322.478 2.433 20 30 DEEDHN C#CCN1CCC[C@H](NCc2sc(N(C)C)nc2Cl)C1 ZINC001462579222 1083780365 /nfs/dbraw/zinc/78/03/65/1083780365.db2.gz INCPKFJNNZANAH-NSHDSACASA-N 0 3 312.870 2.050 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H](C)c2ccccc2OC)CC1 ZINC001277225478 1083854730 /nfs/dbraw/zinc/85/47/30/1083854730.db2.gz SWWGRQDQZNFHAX-HNNXBMFYSA-N 0 3 314.429 2.451 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001107926456 1083902178 /nfs/dbraw/zinc/90/21/78/1083902178.db2.gz HVYGOVYKYHJCIF-SFHVURJKSA-N 0 3 308.466 2.289 20 30 DEEDHN CC(C)C[C@@H](C)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932767 1083906798 /nfs/dbraw/zinc/90/67/98/1083906798.db2.gz RPQITCUWYHNYBT-APWZRJJASA-N 0 3 320.477 2.289 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC001277384922 1083938473 /nfs/dbraw/zinc/93/84/73/1083938473.db2.gz DPWABJCGKZTLLQ-INIZCTEOSA-N 0 3 309.413 2.121 20 30 DEEDHN N#CC1(NC(=O)C23CC(NCc4ccccc4F)(C2)C3)CCC1 ZINC001277414515 1083955926 /nfs/dbraw/zinc/95/59/26/1083955926.db2.gz LPSPOXJYDOHPNG-UHFFFAOYSA-N 0 3 313.376 2.400 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)CCNCc1ccncc1Cl ZINC001272764770 1083974294 /nfs/dbraw/zinc/97/42/94/1083974294.db2.gz MHEPGQKQZPKPLT-CYBMUJFWSA-N 0 3 307.825 2.379 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c1[O-] ZINC001277456970 1083981237 /nfs/dbraw/zinc/98/12/37/1083981237.db2.gz KWKLJMYUOCANHH-HNNXBMFYSA-N 0 3 300.402 2.208 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CO[C@H](C)CC)C2)C1 ZINC001277458878 1083981961 /nfs/dbraw/zinc/98/19/61/1083981961.db2.gz KUZLJBXMWYEDPT-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@@H](CCNCc1cc(O)ccc1Cl)NC(=O)C#CC1CC1 ZINC001272773702 1084008168 /nfs/dbraw/zinc/00/81/68/1084008168.db2.gz NPNDBLHWKILQFW-LBPRGKRZSA-N 0 3 320.820 2.443 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001491011705 1084012772 /nfs/dbraw/zinc/01/27/72/1084012772.db2.gz YPLXIXSHDWEQFO-OKILXGFUSA-N 0 3 305.447 2.300 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CC2CC2)CC2(CCOCC2)C1 ZINC001089919255 1084031719 /nfs/dbraw/zinc/03/17/19/1084031719.db2.gz DKIPAYFSNCXZDO-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC001491078011 1084051881 /nfs/dbraw/zinc/05/18/81/1084051881.db2.gz KHCBTCRQOLRGMW-OKILXGFUSA-N 0 3 308.809 2.445 20 30 DEEDHN Cc1cc(CNC[C@@H](C2CC2)N(C)C(=O)C#CC(C)C)sn1 ZINC001277646162 1084073387 /nfs/dbraw/zinc/07/33/87/1084073387.db2.gz BUKCRVSPCILNJW-INIZCTEOSA-N 0 3 319.474 2.438 20 30 DEEDHN Cc1cncc(CN2CCC[C@@H](CNC(=O)C#CC(C)C)C2)c1 ZINC001491106008 1084074164 /nfs/dbraw/zinc/07/41/64/1084074164.db2.gz YPUVVBYDHGDNAA-KRWDZBQOSA-N 0 3 313.445 2.378 20 30 DEEDHN N#Cc1cnc(N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)nc1 ZINC001277736649 1084120883 /nfs/dbraw/zinc/12/08/83/1084120883.db2.gz MXAHOHMFZTYRMI-GOSISDBHSA-N 0 3 322.416 2.169 20 30 DEEDHN C=CCCCN1CCc2nc(C(=O)NCC(F)F)ccc2C1 ZINC001277758660 1084133568 /nfs/dbraw/zinc/13/35/68/1084133568.db2.gz SKDFNMDKSGOLOW-UHFFFAOYSA-N 0 3 309.360 2.401 20 30 DEEDHN Cc1nc(C)c(CN[C@H](C)CN(C)C(=O)C#CC2CC2)s1 ZINC001277820385 1084161393 /nfs/dbraw/zinc/16/13/93/1084161393.db2.gz ZRLBJGLDLIYCEF-LLVKDONJSA-N 0 3 305.447 2.110 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001277857495 1084179520 /nfs/dbraw/zinc/17/95/20/1084179520.db2.gz DTZXLRCYGSJGFE-MRXNPFEDSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001491279362 1084202962 /nfs/dbraw/zinc/20/29/62/1084202962.db2.gz DMOLYDKWQOEAAD-GOEBONIOSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2c(C)noc2Cl)C1 ZINC001491298559 1084220906 /nfs/dbraw/zinc/22/09/06/1084220906.db2.gz VXKHRRMYRCIXAO-YPMHNXCESA-N 0 3 323.824 2.029 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)COc2ccc(C)cc2)C1 ZINC001491299238 1084221180 /nfs/dbraw/zinc/22/11/80/1084221180.db2.gz FVGYHFWRLGHOCW-DLBZAZTESA-N 0 3 314.429 2.224 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccnc(CC)n3)C2)C1=O ZINC001272816202 1084244111 /nfs/dbraw/zinc/24/41/11/1084244111.db2.gz DDGHAEAJUASZGT-SFHVURJKSA-N 0 3 314.433 2.040 20 30 DEEDHN CCCC1(C(=O)N2CC3(C2)CCN(CC#CCOC)CC3)CC1 ZINC001272817223 1084245185 /nfs/dbraw/zinc/24/51/85/1084245185.db2.gz LTOLGMPWXMEBRC-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN CC(=O)CCCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001491386918 1084270767 /nfs/dbraw/zinc/27/07/67/1084270767.db2.gz BVFKCCUQAZOGBR-GFCCVEGCSA-N 0 3 319.380 2.051 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCNCC(=O)NCCC(C)(C)C ZINC001128084943 1084278637 /nfs/dbraw/zinc/27/86/37/1084278637.db2.gz HGUZUBFNQQUKAY-UHFFFAOYSA-N 0 3 323.481 2.013 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001077845127 1084280664 /nfs/dbraw/zinc/28/06/64/1084280664.db2.gz KQWBTGDMCCKRAZ-HUUCEWRRSA-N 0 3 324.371 2.365 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)NC[C@H](O)c1cc(F)ccc1F ZINC001491411442 1084289099 /nfs/dbraw/zinc/28/90/99/1084289099.db2.gz RXFOEHVCKJLJAZ-NHYWBVRUSA-N 0 3 312.360 2.059 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001491414223 1084296633 /nfs/dbraw/zinc/29/66/33/1084296633.db2.gz JNDJLQCYWTWUOX-LLVKDONJSA-N 0 3 314.788 2.276 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235107566 1084313860 /nfs/dbraw/zinc/31/38/60/1084313860.db2.gz YLEGKWYNVZFHPV-GJZGRUSLSA-N 0 3 312.429 2.393 20 30 DEEDHN CCOC1CC(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)C1 ZINC001491445477 1084315319 /nfs/dbraw/zinc/31/53/19/1084315319.db2.gz VZZLVVOTXWJKSN-PNESKVBLSA-N 0 3 321.446 2.029 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCN[C@H](C)C(=O)NCCC(C)C ZINC001128088393 1084321123 /nfs/dbraw/zinc/32/11/23/1084321123.db2.gz WACWMSHIZSMWNB-OAHLLOKOSA-N 0 3 323.481 2.011 20 30 DEEDHN Cc1ncccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272828069 1084322359 /nfs/dbraw/zinc/32/23/59/1084322359.db2.gz FYSOEOSIKFYOAQ-IAGOWNOFSA-N 0 3 312.417 2.259 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2cncn2C)CCC1 ZINC001277929542 1084338472 /nfs/dbraw/zinc/33/84/72/1084338472.db2.gz PHAFXKLZIVRYMP-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccnn3C(C)C)C2)C1=O ZINC001272843670 1084368867 /nfs/dbraw/zinc/36/88/67/1084368867.db2.gz PUSZUGLUMXDGST-KRWDZBQOSA-N 0 3 302.422 2.074 20 30 DEEDHN Cn1cc(CN2CC[C@@]3(C2)CCCN(CCC#N)C3)cc1C#N ZINC001277939026 1084400402 /nfs/dbraw/zinc/40/04/02/1084400402.db2.gz LRDDLBDFMWKVOI-SFHVURJKSA-N 0 3 311.433 2.098 20 30 DEEDHN Cc1noc(C)c1NC(=O)N1C[C@@H]2CCN(CCCC#N)[C@@H]2C1 ZINC001277944895 1084427672 /nfs/dbraw/zinc/42/76/72/1084427672.db2.gz FBMLRVYITUPXKZ-UONOGXRCSA-N 0 3 317.393 2.133 20 30 DEEDHN C=CC[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(=O)OCC ZINC001116588841 1084433209 /nfs/dbraw/zinc/43/32/09/1084433209.db2.gz MDOADUURBUNHEA-LSDHHAIUSA-N 0 3 308.422 2.017 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001078215104 1084590924 /nfs/dbraw/zinc/59/09/24/1084590924.db2.gz ILMIZZGRKPLRNS-JFIYKMOQSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCC1(C(=O)NCC[C@H](C)NC(=O)CN(C)CCC)CC1 ZINC001078217651 1084593387 /nfs/dbraw/zinc/59/33/87/1084593387.db2.gz FNSJATDLZGLARX-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001078204601 1084598422 /nfs/dbraw/zinc/59/84/22/1084598422.db2.gz OGKSXPVEUAPCPU-KBRIMQKVSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001078289134 1084637988 /nfs/dbraw/zinc/63/79/88/1084637988.db2.gz FAIWFLRLWPZERO-ARFHVFGLSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Br)CN[C@@H]1C[C@H](NC(=O)C2CC2)C12CCC2 ZINC001078525626 1084719464 /nfs/dbraw/zinc/71/94/64/1084719464.db2.gz CEJUQQSHLBOVLS-NEPJUHHUSA-N 0 3 313.239 2.322 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2C)C12CCC2 ZINC001078625662 1084770848 /nfs/dbraw/zinc/77/08/48/1084770848.db2.gz DKGVRWAWEXYTKU-CHWSQXEVSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2[nH]c(C)nc2C)C12CCC2 ZINC001078728932 1084833012 /nfs/dbraw/zinc/83/30/12/1084833012.db2.gz QWNQGIWQAFDRQB-OLZOCXBDSA-N 0 3 322.840 2.410 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3ccc(C)s3)C2)OCC1=O ZINC001272933901 1084868887 /nfs/dbraw/zinc/86/88/87/1084868887.db2.gz JCTNQUVQYXTCFY-INIZCTEOSA-N 0 3 306.431 2.046 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001485869163 1084943843 /nfs/dbraw/zinc/94/38/43/1084943843.db2.gz UOYAIQSZIAZXIT-GUYCJALGSA-N 0 3 308.397 2.089 20 30 DEEDHN C=CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)CC(C)(C)CC)C1=O ZINC001485877662 1084959869 /nfs/dbraw/zinc/95/98/69/1084959869.db2.gz OOGCPBPYTMVYSO-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC001485943959 1085011346 /nfs/dbraw/zinc/01/13/46/1085011346.db2.gz ICNVVXYUUQFOTE-HNNXBMFYSA-N 0 3 311.429 2.479 20 30 DEEDHN C=CCCC(=O)NC[C@H](CO)N[C@H]1CCCc2ccccc21 ZINC001485980134 1085019491 /nfs/dbraw/zinc/01/94/91/1085019491.db2.gz RMFXGGPFDQPPGC-WBVHZDCISA-N 0 3 302.418 2.097 20 30 DEEDHN C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCN(CC2CC2)CC1 ZINC001351669044 1151594353 /nfs/dbraw/zinc/59/43/53/1151594353.db2.gz LYMZAEXFIGDOTI-HIFRSBDPSA-N 0 3 301.438 2.120 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cc(C)[nH]n1 ZINC000960261212 1085169593 /nfs/dbraw/zinc/16/95/93/1085169593.db2.gz QMKIFYFOEFQJKF-IEBWSBKVSA-N 0 3 324.428 2.209 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000960261212 1085169597 /nfs/dbraw/zinc/16/95/97/1085169597.db2.gz QMKIFYFOEFQJKF-IEBWSBKVSA-N 0 3 324.428 2.209 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1conc1CC ZINC000960301563 1085188311 /nfs/dbraw/zinc/18/83/11/1085188311.db2.gz CYLANOPNYGTOLO-IAGOWNOFSA-N 0 3 311.385 2.408 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000960315102 1085192498 /nfs/dbraw/zinc/19/24/98/1085192498.db2.gz MZDVTHWTGJBMLG-FXXCCUJSSA-N 0 3 312.413 2.112 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)c1cnn(C)c1 ZINC000960335919 1085203118 /nfs/dbraw/zinc/20/31/18/1085203118.db2.gz DLWQLGNLWMTUDA-MORSLUCNSA-N 0 3 324.428 2.081 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC001486437886 1085313427 /nfs/dbraw/zinc/31/34/27/1085313427.db2.gz NAJQEWFLRAQUQN-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(C(=O)C#CC1CC1)C1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001486461815 1085348223 /nfs/dbraw/zinc/34/82/23/1085348223.db2.gz YMHMFRHNAOXNDD-UHFFFAOYSA-N 0 3 324.399 2.170 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C1CC(N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001486477399 1085359512 /nfs/dbraw/zinc/35/95/12/1085359512.db2.gz NLAZHWWPLWTROH-LMWSTFAQSA-N 0 3 319.453 2.355 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c2ccccc2n1 ZINC000960592075 1085375803 /nfs/dbraw/zinc/37/58/03/1085375803.db2.gz KAFXHZMJJSMGFP-HWWDLCQESA-N 0 3 307.397 2.389 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCOC[C@@H]2C)c(F)c1 ZINC001486525318 1085407746 /nfs/dbraw/zinc/40/77/46/1085407746.db2.gz ZNPZKAHPAJERDY-XJKSGUPXSA-N 0 3 320.408 2.390 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001486708566 1085539326 /nfs/dbraw/zinc/53/93/26/1085539326.db2.gz UGIYGUAUNJSDNY-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001128259278 1085648223 /nfs/dbraw/zinc/64/82/23/1085648223.db2.gz XOJGAFDWAOLHEG-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1noc2c1CC(C)(C)CC2 ZINC000961358582 1085705401 /nfs/dbraw/zinc/70/54/01/1085705401.db2.gz MUFSWAREXXLGTB-NHAGDIPZSA-N 0 3 315.417 2.036 20 30 DEEDHN C=C(C)CCC(=O)NCCNCc1cnn(-c2ccccc2)c1 ZINC001128417980 1085773912 /nfs/dbraw/zinc/77/39/12/1085773912.db2.gz IQMSCWDIOCJXGV-UHFFFAOYSA-N 0 3 312.417 2.434 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cn(C)c3ccccc23)C1=O ZINC001272987658 1085802294 /nfs/dbraw/zinc/80/22/94/1085802294.db2.gz GTDGOKJEZDUFNQ-FQEVSTJZSA-N 0 3 321.424 2.378 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@]2(CCN(CC(F)F)C2=O)C1 ZINC001272990758 1085818476 /nfs/dbraw/zinc/81/84/76/1085818476.db2.gz JJVUIDPNGKWZRA-QGZVFWFLSA-N 0 3 319.355 2.248 20 30 DEEDHN CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)CC=CC1 ZINC000961678398 1085822978 /nfs/dbraw/zinc/82/29/78/1085822978.db2.gz QVBAYBBIBFZQLP-PIIMJCKOSA-N 0 3 321.424 2.461 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001272992834 1085827986 /nfs/dbraw/zinc/82/79/86/1085827986.db2.gz GPCOXWVRCJOAAV-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)Cc2ccoc2)C1 ZINC000961754662 1085852441 /nfs/dbraw/zinc/85/24/41/1085852441.db2.gz IDKGZMSUMLNTEM-UHFFFAOYSA-N 0 3 323.396 2.378 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001276370422 1085853374 /nfs/dbraw/zinc/85/33/74/1085853374.db2.gz WXQXETLJODTFJN-ZDUSSCGKSA-N 0 3 310.413 2.423 20 30 DEEDHN C#Cc1ccc(C(=O)NC2CC(CNCc3conc3C)C2)cc1 ZINC000962152786 1085984893 /nfs/dbraw/zinc/98/48/93/1085984893.db2.gz IKPLECBQLXHVMD-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C=C1CCC(C(=O)NC2CC(CNCc3nccn3C)C2)CC1 ZINC000962260235 1086040928 /nfs/dbraw/zinc/04/09/28/1086040928.db2.gz SCZDNKNUINBCDT-UHFFFAOYSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)OCC ZINC001128528142 1086183392 /nfs/dbraw/zinc/18/33/92/1086183392.db2.gz JKVNIKHOERETNA-QGZVFWFLSA-N 0 3 315.417 2.135 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@H]1CCOC1)C2 ZINC000963647649 1086525352 /nfs/dbraw/zinc/52/53/52/1086525352.db2.gz JOCKKTOUNRQYSW-BHTBLZRRSA-N 0 3 312.841 2.183 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1coc(C)n1)C2 ZINC000963699725 1086540953 /nfs/dbraw/zinc/54/09/53/1086540953.db2.gz MBWIMCSMCKWICA-UHFFFAOYSA-N 0 3 309.797 2.366 20 30 DEEDHN CC[C@H]1OCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001129088266 1086595322 /nfs/dbraw/zinc/59/53/22/1086595322.db2.gz XGTBANJNEHQQMS-HUUCEWRRSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)COc1ccccc1C(F)(F)F ZINC001118156725 1087137290 /nfs/dbraw/zinc/13/72/90/1087137290.db2.gz ZBORGXXDNCJZFA-VXGBXAGGSA-N 0 3 319.323 2.236 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001273175065 1087182670 /nfs/dbraw/zinc/18/26/70/1087182670.db2.gz AJFPKOKISBMPLP-LBPRGKRZSA-N 0 3 314.788 2.441 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001090299489 1087644747 /nfs/dbraw/zinc/64/47/47/1087644747.db2.gz YVJPWUQHEDWZQQ-KBPBESRZSA-N 0 3 308.447 2.106 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1c1cccc(F)c1 ZINC001079174744 1087735216 /nfs/dbraw/zinc/73/52/16/1087735216.db2.gz FJMWDDTXDRVXEW-CWDJHMJFSA-N 0 3 312.388 2.309 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)C2CC2)C[C@H]1c1cccc(F)c1 ZINC001079177727 1087738139 /nfs/dbraw/zinc/73/81/39/1087738139.db2.gz GUSFGTBVGYDLFU-DOPJRALCSA-N 0 3 314.404 2.389 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CC(F)(F)F)C1 ZINC001490874028 1088023527 /nfs/dbraw/zinc/02/35/27/1088023527.db2.gz XIIVMKPSHBGHSI-ZKCHVHJHSA-N 0 3 315.133 2.084 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114725088 1088293615 /nfs/dbraw/zinc/29/36/15/1088293615.db2.gz YBYBHCCVLNNSRH-SIXLDLHFSA-N 0 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C=CCN(C)CCN(C)C(=O)[C@]1(C)CCOc2ccccc21 ZINC001320072280 1140818293 /nfs/dbraw/zinc/81/82/93/1140818293.db2.gz GGLZOKYNIHPJGN-GOSISDBHSA-N 0 3 302.418 2.303 20 30 DEEDHN C=CC[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC001320424118 1140863779 /nfs/dbraw/zinc/86/37/79/1140863779.db2.gz FSCZJFSXGOBVMZ-CABCVRRESA-N 0 3 310.438 2.121 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001278438450 1140876842 /nfs/dbraw/zinc/87/68/42/1140876842.db2.gz SVKBGUKBVUYEPG-QAPCUYQASA-N 0 3 300.402 2.058 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2snnc2C)C1 ZINC001320541327 1140877178 /nfs/dbraw/zinc/87/71/78/1140877178.db2.gz PQWQMZFRFNRELR-NSHDSACASA-N 0 3 308.451 2.187 20 30 DEEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1ccc(OC)nc1 ZINC001320810829 1140933693 /nfs/dbraw/zinc/93/36/93/1140933693.db2.gz DDVITHZJQUYWLV-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCNCC(=O)N[C@H](C)CC)CC1 ZINC001320830451 1140942952 /nfs/dbraw/zinc/94/29/52/1140942952.db2.gz 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C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)CC(F)(F)F)C2)C1 ZINC001323860166 1141894280 /nfs/dbraw/zinc/89/42/80/1141894280.db2.gz OFEJXJLQPBDSHJ-TZMCWYRMSA-N 0 3 302.340 2.133 20 30 DEEDHN COC(=O)c1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001249601660 1141949347 /nfs/dbraw/zinc/94/93/47/1141949347.db2.gz ZFIUREGCGFLPCV-AWEZNQCLSA-N 0 3 321.373 2.386 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(CC)on1)C1CC1 ZINC001421558144 1171847101 /nfs/dbraw/zinc/84/71/01/1171847101.db2.gz AWPRXTWYAIBDIT-OAHLLOKOSA-N 0 3 311.813 2.478 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC001324352916 1142060941 /nfs/dbraw/zinc/06/09/41/1142060941.db2.gz KZNCHXYFIWSXQQ-UHFFFAOYSA-N 0 3 312.413 2.163 20 30 DEEDHN C#CCN(C(=O)CCOCC)C1CCN(CC=C(C)C)CC1 ZINC001324374564 1142064577 /nfs/dbraw/zinc/06/45/77/1142064577.db2.gz SNDAZSLOOHCVHN-UHFFFAOYSA-N 0 3 306.450 2.305 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#CC ZINC001324537179 1142096948 /nfs/dbraw/zinc/09/69/48/1142096948.db2.gz AXCRKBACZNRJOK-AOIWGVFYSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C3(CCC)CCC3)CC2)C1 ZINC001324560971 1142101422 /nfs/dbraw/zinc/10/14/22/1142101422.db2.gz SFBOFLVNHHIYRF-KRWDZBQOSA-N 0 3 319.493 2.361 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC001252466562 1142723945 /nfs/dbraw/zinc/72/39/45/1142723945.db2.gz QCHQGEMTNFEHSS-JKSUJKDBSA-N 0 3 321.417 2.102 20 30 DEEDHN C=CCOC[C@H](O)CN1CC=C(c2ccc(OC)cc2)CC1 ZINC001252474026 1142727306 /nfs/dbraw/zinc/72/73/06/1142727306.db2.gz VAQWCRYKKFVIFL-QGZVFWFLSA-N 0 3 303.402 2.348 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001337357891 1142736219 /nfs/dbraw/zinc/73/62/19/1142736219.db2.gz LWVCTFCBFUOYGY-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOC[C@H](O)CN[C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001252497930 1142736923 /nfs/dbraw/zinc/73/69/23/1142736923.db2.gz BWWDIXREDMKIJB-RISCZKNCSA-N 0 3 320.216 2.180 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NC(=O)CN(CC)CC)CC1 ZINC001337438946 1142753522 /nfs/dbraw/zinc/75/35/22/1142753522.db2.gz VYCGMKSLZPQUSG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC[C@@H](O)CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001252597456 1142777906 /nfs/dbraw/zinc/77/79/06/1142777906.db2.gz ZLEXYUSMNGFPFV-FUHWJXTLSA-N 0 3 319.449 2.069 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@H](Oc2ncccc2OC)C1 ZINC001252604586 1142786355 /nfs/dbraw/zinc/78/63/55/1142786355.db2.gz VCLQEKVJQLPPFV-GJZGRUSLSA-N 0 3 306.406 2.261 20 30 DEEDHN C=CCC[C@@H](O)CN[C@H](CC(=O)OCC)c1cccc(O)c1 ZINC001252619042 1142790194 /nfs/dbraw/zinc/79/01/94/1142790194.db2.gz AKBIGFXAUDAPAF-HZPDHXFCSA-N 0 3 307.390 2.303 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)Cc2cccnc2C)C1 ZINC001278677442 1142809209 /nfs/dbraw/zinc/80/92/09/1142809209.db2.gz IGLZBDPZUVDYGR-LJQANCHMSA-N 0 3 313.445 2.174 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC001338222822 1142839635 /nfs/dbraw/zinc/83/96/35/1142839635.db2.gz WIDRWDRCVGFZKH-MRXNPFEDSA-N 0 3 315.417 2.211 20 30 DEEDHN C=CCn1c(N2CCN(C)[C@@H](C(C)C)C2)nnc1C(C)(C)F ZINC001338973200 1142896889 /nfs/dbraw/zinc/89/68/89/1142896889.db2.gz FPLDOPAMRPWOKF-CYBMUJFWSA-N 0 3 309.433 2.445 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2ccccc2C)CC1 ZINC001340021666 1143237113 /nfs/dbraw/zinc/23/71/13/1143237113.db2.gz YRVSQENQFPCPKF-MRXNPFEDSA-N 0 3 301.434 2.327 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC001340200981 1143300803 /nfs/dbraw/zinc/30/08/03/1143300803.db2.gz URWUDAVFUQBMFV-DZGCQCFKSA-N 0 3 317.437 2.003 20 30 DEEDHN CC(C)(C)NC(=O)CO[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254671666 1143309358 /nfs/dbraw/zinc/30/93/58/1143309358.db2.gz SQPNSWHMDKAWPW-RBSFLKMASA-N 0 3 307.438 2.074 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001278826918 1143361800 /nfs/dbraw/zinc/36/18/00/1143361800.db2.gz BVPOVIJFEVKMTP-VMWRSERWSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCn1c([C@H]2C[C@H]2C#N)nnc1N1CCN(C(C)(C)C)CC1 ZINC001340584998 1143375910 /nfs/dbraw/zinc/37/59/10/1143375910.db2.gz ZSBXABUCWXKDOU-KBPBESRZSA-N 0 3 314.437 2.012 20 30 DEEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC001255160778 1143454000 /nfs/dbraw/zinc/45/40/00/1143454000.db2.gz PNZFCVPEUQXNFO-KKUMJFAQSA-N 0 3 300.406 2.404 20 30 DEEDHN CC[C@@H](CC#N)N1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255169530 1143464255 /nfs/dbraw/zinc/46/42/55/1143464255.db2.gz GHYMOLRTCLUZQK-WMZOPIPTSA-N 0 3 312.417 2.198 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](Cc2nccs2)C1 ZINC001340994648 1143519226 /nfs/dbraw/zinc/51/92/26/1143519226.db2.gz JRXCIXYKOUYXRJ-KBPBESRZSA-N 0 3 320.462 2.335 20 30 DEEDHN C#CCN(CC#C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255248022 1143524871 /nfs/dbraw/zinc/52/48/71/1143524871.db2.gz HXUGQXQPKXFLFM-MUJYYYPQSA-N 0 3 302.418 2.485 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC001341041346 1143527571 /nfs/dbraw/zinc/52/75/71/1143527571.db2.gz JYWBXGVYJMDROG-HZPDHXFCSA-N 0 3 315.417 2.284 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2CCN([C@H](C)CC)CC2)n1C ZINC001341331668 1143584309 /nfs/dbraw/zinc/58/43/09/1143584309.db2.gz NPZUCGSZVYOUJN-CQSZACIVSA-N 0 3 305.470 2.490 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC[C@H]1OCCc2ccccc21 ZINC001341329651 1143584336 /nfs/dbraw/zinc/58/43/36/1143584336.db2.gz WQJSOEDQEFVNMN-IAGOWNOFSA-N 0 3 302.418 2.490 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001341471532 1143609158 /nfs/dbraw/zinc/60/91/58/1143609158.db2.gz FJTDSIVRQNLJEJ-DLBZAZTESA-N 0 3 313.401 2.142 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001341582363 1143632727 /nfs/dbraw/zinc/63/27/27/1143632727.db2.gz VRNYWQBHLNIMCK-LSDHHAIUSA-N 0 3 301.390 2.260 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1nc2c(s1)CCCC2 ZINC001341684030 1143665412 /nfs/dbraw/zinc/66/54/12/1143665412.db2.gz KQPTVQDWTVGSNJ-LBPRGKRZSA-N 0 3 307.463 2.364 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@H]1CC12CC(OCC)C2)C(C)C ZINC001278919086 1143834465 /nfs/dbraw/zinc/83/44/65/1143834465.db2.gz YURGJCHPQDDGMR-TVRKMHQQSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCN1CCC(Nc2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC001342896104 1143841944 /nfs/dbraw/zinc/84/19/44/1143841944.db2.gz ALANMOYUOCQSCI-UHFFFAOYSA-N 0 3 303.322 2.193 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001278956243 1143861041 /nfs/dbraw/zinc/86/10/41/1143861041.db2.gz IQZJZRIWDPIOKK-MAUKXSAKSA-N 0 3 319.449 2.029 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cnn(C)c1)c1ccccc1CC ZINC001278964010 1143866853 /nfs/dbraw/zinc/86/68/53/1143866853.db2.gz KFNTUWHQMYAUJK-SFHVURJKSA-N 0 3 324.428 2.067 20 30 DEEDHN N#Cc1ccc(C2CCC(N3CCN(C(N)=O)CC3)CC2)cc1 ZINC001257021047 1143880108 /nfs/dbraw/zinc/88/01/08/1143880108.db2.gz MUDVSZQDRMKSKH-UHFFFAOYSA-N 0 3 312.417 2.281 20 30 DEEDHN C#CCN1CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258424744 1144005160 /nfs/dbraw/zinc/00/51/60/1144005160.db2.gz PIKMIVYCEZITPI-UHFFFAOYSA-N 0 3 301.409 2.045 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001258731940 1144037332 /nfs/dbraw/zinc/03/73/32/1144037332.db2.gz FYHUJPQUXKBFBM-MRXNPFEDSA-N 0 3 300.450 2.243 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)OC1CCCCC1)C1CCN(C)CC1 ZINC001262491595 1144315677 /nfs/dbraw/zinc/31/56/77/1144315677.db2.gz IOFNYCFDIRCFPG-OAHLLOKOSA-N 0 3 306.450 2.280 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001262571395 1144320478 /nfs/dbraw/zinc/32/04/78/1144320478.db2.gz TZGFJPJSJGOETL-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN O[C@@H](CNCC#C[C@@H]1CCCCO1)COc1ccc(Cl)cc1 ZINC001262577922 1144320777 /nfs/dbraw/zinc/32/07/77/1144320777.db2.gz BTPXBMPSJVJETF-HOTGVXAUSA-N 0 3 323.820 2.242 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001263809127 1144398143 /nfs/dbraw/zinc/39/81/43/1144398143.db2.gz HUZCBVDRWVPRIT-CQSZACIVSA-N 0 3 320.437 2.018 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CC[C@@H]2CCCO2)C1 ZINC001263812515 1144398911 /nfs/dbraw/zinc/39/89/11/1144398911.db2.gz OHKTVGXOEAAACA-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1C[C@H](NCc2oc(C)nc2C)C1 ZINC001263858523 1144413677 /nfs/dbraw/zinc/41/36/77/1144413677.db2.gz JCMVOWHDFMHKDV-WKILWMFISA-N 0 3 317.433 2.469 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001264106379 1144467237 /nfs/dbraw/zinc/46/72/37/1144467237.db2.gz ZKQDLWCURAHIOG-QGZVFWFLSA-N 0 3 306.450 2.163 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001264184079 1144499108 /nfs/dbraw/zinc/49/91/08/1144499108.db2.gz DMWKKXLPTQMROZ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)nc1 ZINC001264365471 1144513487 /nfs/dbraw/zinc/51/34/87/1144513487.db2.gz YGMQUPNWEGCKIQ-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC001264376387 1144518334 /nfs/dbraw/zinc/51/83/34/1144518334.db2.gz HYPFTBKRYQTCRL-NVXWUHKLSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001264377121 1144520131 /nfs/dbraw/zinc/52/01/31/1144520131.db2.gz VPNOPRCGGXNNDK-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CCc1nc(C)c(CN[C@H]2C[C@H](CNC(=O)C#CC(C)C)C2)o1 ZINC001264420062 1144535739 /nfs/dbraw/zinc/53/57/39/1144535739.db2.gz NLWUUZOWPWSGEI-SHTZXODSSA-N 0 3 317.433 2.189 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001264428917 1144537758 /nfs/dbraw/zinc/53/77/58/1144537758.db2.gz AJOZNXDXZMBLKA-FAAHXZRKSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccncc2C)[C@H]1CC ZINC001264606613 1144578104 /nfs/dbraw/zinc/57/81/04/1144578104.db2.gz WNBNIVWNJAZFOY-DLBZAZTESA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC001264629644 1144580929 /nfs/dbraw/zinc/58/09/29/1144580929.db2.gz AZPFVENJZJONME-HNNXBMFYSA-N 0 3 322.474 2.450 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCCC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001264679490 1144591116 /nfs/dbraw/zinc/59/11/16/1144591116.db2.gz GASOHBCEFJZKGI-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)COCCN(C)C[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001264738891 1144603025 /nfs/dbraw/zinc/60/30/25/1144603025.db2.gz JZUKQALJBHISGN-CVEARBPZSA-N 0 3 309.454 2.132 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](OC)C2CCCC2)CC(C)(C)C1 ZINC001264755479 1144608061 /nfs/dbraw/zinc/60/80/61/1144608061.db2.gz SKNTVCHCHLMSCD-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C(C)(C)c1ccccc1OC ZINC001265075586 1144638096 /nfs/dbraw/zinc/63/80/96/1144638096.db2.gz BFPWBHVUMYXEHW-UHFFFAOYSA-N 0 3 316.445 2.434 20 30 DEEDHN C#CCN(CCCNC(=O)c1oc(CCC)nc1C)C1CC1 ZINC001265181215 1144661474 /nfs/dbraw/zinc/66/14/74/1144661474.db2.gz SATKVNCWLIXFDR-UHFFFAOYSA-N 0 3 303.406 2.153 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CC[C@H](C)CC1)C1CC1 ZINC001265181165 1144661563 /nfs/dbraw/zinc/66/15/63/1144661563.db2.gz QMRUAZCPENUXII-QAQDUYKDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCCN(CCC[C@H]2CCOC2)C1 ZINC001265213547 1144667967 /nfs/dbraw/zinc/66/79/67/1144667967.db2.gz UMYZFSRAHPWIPO-IRXDYDNUSA-N 0 3 306.450 2.043 20 30 DEEDHN CCO[C@H](CN1CCC[C@H](NC(=O)C#CC(C)C)C1)C1CC1 ZINC001265213335 1144668140 /nfs/dbraw/zinc/66/81/40/1144668140.db2.gz PWSSXWBBRQUOGG-DLBZAZTESA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001265248108 1144675958 /nfs/dbraw/zinc/67/59/58/1144675958.db2.gz XXXUCSIUUFPFML-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001265274716 1144679630 /nfs/dbraw/zinc/67/96/30/1144679630.db2.gz HNTCCTSUPOXGGM-HNNXBMFYSA-N 0 3 308.447 2.074 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001265303980 1144688195 /nfs/dbraw/zinc/68/81/95/1144688195.db2.gz SMUJBLXQWJBYRG-HOCLYGCPSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cncnc2C)CC1 ZINC001265337333 1144695653 /nfs/dbraw/zinc/69/56/53/1144695653.db2.gz GFPIXUVEEMNKAE-UHFFFAOYSA-N 0 3 302.422 2.288 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](NC/C=C/Cl)C1 ZINC001265440599 1144704108 /nfs/dbraw/zinc/70/41/08/1144704108.db2.gz YZWNGVMKUKHPGM-FFAUQURTSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](NC[C@H](F)CC)C2)CCOCC1 ZINC001265457355 1144705102 /nfs/dbraw/zinc/70/51/02/1144705102.db2.gz WQYIXFDVNHNWAR-CABCVRRESA-N 0 3 312.429 2.298 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001265517748 1144708637 /nfs/dbraw/zinc/70/86/37/1144708637.db2.gz LUHNCKQPZIYVHU-OOKSDGMUSA-N 0 3 318.461 2.350 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001265949358 1144766618 /nfs/dbraw/zinc/76/66/18/1144766618.db2.gz KBDCXOYPNWPHRI-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1ccon1 ZINC001266022346 1144791148 /nfs/dbraw/zinc/79/11/48/1144791148.db2.gz JGOBJYQYKZSQLF-UHFFFAOYSA-N 0 3 311.385 2.168 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC001266047887 1144800221 /nfs/dbraw/zinc/80/02/21/1144800221.db2.gz NXSLQMVMRLYUQQ-KGLIPLIRSA-N 0 3 323.462 2.171 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(CC)[C@H]1CCN(C(C)C)C1=O ZINC001266070080 1144802326 /nfs/dbraw/zinc/80/23/26/1144802326.db2.gz MUGPRMPCZDIQFO-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(COC)cc2)C1 ZINC001266120396 1144807513 /nfs/dbraw/zinc/80/75/13/1144807513.db2.gz YHWORGDODVARIL-GOSISDBHSA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1cncc2ccccc21)C1CC1 ZINC001266143545 1144809314 /nfs/dbraw/zinc/80/93/14/1144809314.db2.gz RFNLICMDQAPMST-UHFFFAOYSA-N 0 3 321.424 2.381 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cc[n+]([O-])cc1 ZINC001266199125 1144813351 /nfs/dbraw/zinc/81/33/51/1144813351.db2.gz VJYUGBFMLVOAQU-HNNXBMFYSA-N 0 3 323.824 2.047 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cn(C)cn1 ZINC001266206858 1144814339 /nfs/dbraw/zinc/81/43/39/1144814339.db2.gz BFPFENHQVOYWAL-CYBMUJFWSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 ZINC001266230303 1144816718 /nfs/dbraw/zinc/81/67/18/1144816718.db2.gz NUTZUJBXKIVHFD-INIZCTEOSA-N 0 3 318.465 2.126 20 30 DEEDHN C#CCCCC(=O)NCC1=CCN(C[C@H]2CCCCO2)CC1 ZINC001279544479 1144824278 /nfs/dbraw/zinc/82/42/78/1144824278.db2.gz JNBONHJMHUNIOK-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1nc(C)cs1 ZINC001316602067 1144833991 /nfs/dbraw/zinc/83/39/91/1144833991.db2.gz RAXVVEPBHLKDKO-AWEZNQCLSA-N 0 3 307.463 2.493 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2ccn(CC)n2)cc1 ZINC001280350151 1144836160 /nfs/dbraw/zinc/83/61/60/1144836160.db2.gz FAARJDWUNKPAKC-OAHLLOKOSA-N 0 3 324.428 2.046 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2cscn2)cc1 ZINC001280354558 1144836372 /nfs/dbraw/zinc/83/63/72/1144836372.db2.gz QFONUJWDVLNBAK-CYBMUJFWSA-N 0 3 313.426 2.286 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001280533895 1144844242 /nfs/dbraw/zinc/84/42/42/1144844242.db2.gz YEFVHTOMKBGJFZ-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)CCO1 ZINC001280627531 1144847263 /nfs/dbraw/zinc/84/72/63/1144847263.db2.gz DYBZFYUZGLCJRW-OAHLLOKOSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001280708646 1144850147 /nfs/dbraw/zinc/85/01/47/1144850147.db2.gz LRRJCOYFKJBQIM-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CCC[C@H](C)O)CC1 ZINC001316607053 1144861884 /nfs/dbraw/zinc/86/18/84/1144861884.db2.gz QOAPWGVAGFOKFC-RDJZCZTQSA-N 0 3 308.466 2.427 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](OCC)C(=C)C)C2 ZINC001281088993 1144871496 /nfs/dbraw/zinc/87/14/96/1144871496.db2.gz XMJFHHGLSYLXCK-MJGOQNOKSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@](CO)(NC/C=C/Cl)C1 ZINC001281145888 1144873813 /nfs/dbraw/zinc/87/38/13/1144873813.db2.gz LBMDWVHNHOXLQX-IQIBNGDESA-N 0 3 314.857 2.284 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(OC)ns2)C1 ZINC001281379203 1144886058 /nfs/dbraw/zinc/88/60/58/1144886058.db2.gz UDFSXCWDIWROBR-YPMHNXCESA-N 0 3 309.435 2.054 20 30 DEEDHN C=CCCC(=O)N(CC)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001281492156 1144892942 /nfs/dbraw/zinc/89/29/42/1144892942.db2.gz PJAOIICNTNLEBP-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)CN(CC)CC ZINC001281498037 1144893366 /nfs/dbraw/zinc/89/33/66/1144893366.db2.gz ODJKILHYWVCBDW-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001281505061 1144893899 /nfs/dbraw/zinc/89/38/99/1144893899.db2.gz OXNIDDZQCMBZEI-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001281950041 1144922726 /nfs/dbraw/zinc/92/27/26/1144922726.db2.gz PSWSQIDFRUQETP-HNNXBMFYSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001282390478 1145056981 /nfs/dbraw/zinc/05/69/81/1145056981.db2.gz YIBOSTGEGOVREC-LBPRGKRZSA-N 0 3 300.358 2.029 20 30 DEEDHN C=CCCC[NH2+]CC1(NC(=O)c2cnc[n-]c2=O)CCCCC1 ZINC001282614706 1145098142 /nfs/dbraw/zinc/09/81/42/1145098142.db2.gz GEOYUSHBFNAXBP-UHFFFAOYSA-N 0 3 318.421 2.171 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001282723645 1145144622 /nfs/dbraw/zinc/14/46/22/1145144622.db2.gz BACUYZKNWWPJGN-ZBFHGGJFSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001282801342 1145168000 /nfs/dbraw/zinc/16/80/00/1145168000.db2.gz SQERQFRYZXHYJM-WBVHZDCISA-N 0 3 314.429 2.052 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)Cc2ccco2)C(C)(C)C1 ZINC001282834293 1145173571 /nfs/dbraw/zinc/17/35/71/1145173571.db2.gz ULCKZMXZYGNZGT-ZBFHGGJFSA-N 0 3 302.418 2.308 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CC[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001282874230 1145184679 /nfs/dbraw/zinc/18/46/79/1145184679.db2.gz CRRUZMRRLXYULK-OWYHZJEWSA-N 0 3 310.441 2.498 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccnc2[nH]cnc21 ZINC001283187637 1145308717 /nfs/dbraw/zinc/30/87/17/1145308717.db2.gz YDERAMLNWCIOHK-NSHDSACASA-N 0 3 321.812 2.199 20 30 DEEDHN CCC[C@@H]1CN(c2cc(C)c(C#N)cn2)CCN1CCOC ZINC001364557504 1145341288 /nfs/dbraw/zinc/34/12/88/1145341288.db2.gz HCCFTNZSMYTAMW-MRXNPFEDSA-N 0 3 302.422 2.199 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCN(CC)C(=O)[C@H]1CCCN1C ZINC001283758436 1145633474 /nfs/dbraw/zinc/63/34/74/1145633474.db2.gz ADJYNPPBMBIZMY-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CO)NCc1ccc(C)c(C)c1 ZINC001283760155 1145633589 /nfs/dbraw/zinc/63/35/89/1145633589.db2.gz SYJVZOMKMYJUOX-KRWDZBQOSA-N 0 3 318.461 2.472 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001283897307 1145697918 /nfs/dbraw/zinc/69/79/18/1145697918.db2.gz WGRKTFJLRKDMOF-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CN(C(C)=O)C2 ZINC001353342480 1151824860 /nfs/dbraw/zinc/82/48/60/1151824860.db2.gz UVZZAHZRRVFRLK-INIZCTEOSA-N 0 3 301.390 2.171 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)COc3ccsc3)CCC[C@H]12 ZINC001284073094 1145786444 /nfs/dbraw/zinc/78/64/44/1145786444.db2.gz YPPGMAJJEQFDFH-HOCLYGCPSA-N 0 3 306.431 2.426 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001284294481 1145831839 /nfs/dbraw/zinc/83/18/39/1145831839.db2.gz BIZWAPVYVRQJDU-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC001365322289 1145847110 /nfs/dbraw/zinc/84/71/10/1145847110.db2.gz KDPQRPCFLXTROB-RDTXWAMCSA-N 0 3 317.408 2.370 20 30 DEEDHN C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001284402973 1145849653 /nfs/dbraw/zinc/84/96/53/1145849653.db2.gz HTQCMSIDJXPARN-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)CN(C)CCC)C1 ZINC001284408344 1145850387 /nfs/dbraw/zinc/85/03/87/1145850387.db2.gz AHVFWLOZIDKFDP-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCCN(C)CCN(C(=O)c1c[nH]c(C)cc1=O)C(C)C ZINC001284553617 1145870573 /nfs/dbraw/zinc/87/05/73/1145870573.db2.gz QMECSEMVOWCTFH-UHFFFAOYSA-N 0 3 319.449 2.432 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001285020380 1146010730 /nfs/dbraw/zinc/01/07/30/1146010730.db2.gz UNTRMHXHCGUZLB-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCC(=O)NCC1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001286142361 1146458621 /nfs/dbraw/zinc/45/86/21/1146458621.db2.gz GANCYWYKAZQTLW-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001286328327 1146559142 /nfs/dbraw/zinc/55/91/42/1146559142.db2.gz LJQFUWHEDFXMGD-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001287909754 1146746793 /nfs/dbraw/zinc/74/67/93/1146746793.db2.gz CSGPNCJYKFAUDA-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001288332954 1146794648 /nfs/dbraw/zinc/79/46/48/1146794648.db2.gz HOEZMUFWKBNXEX-NRXISQOPSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NCc2cn(CC)nn2)C1 ZINC001491881785 1146950100 /nfs/dbraw/zinc/95/01/00/1146950100.db2.gz JLPHBJVDMKAIPJ-KGLIPLIRSA-N 0 3 319.453 2.027 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCc2cscn2)C1 ZINC001491966492 1147024770 /nfs/dbraw/zinc/02/47/70/1147024770.db2.gz ZKYCGTIQPUHYBJ-HNNXBMFYSA-N 0 3 305.447 2.022 20 30 DEEDHN C[C@H](CCNC(=O)c1ccns1)NCc1ccccc1C#N ZINC001492031336 1147068133 /nfs/dbraw/zinc/06/81/33/1147068133.db2.gz KMGVRDQSOLHJFE-GFCCVEGCSA-N 0 3 314.414 2.313 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(OCC)nc1 ZINC001492031571 1147068357 /nfs/dbraw/zinc/06/83/57/1147068357.db2.gz OSKWMGLPSMDBQW-GFCCVEGCSA-N 0 3 311.813 2.331 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1occ2c1CCOC2 ZINC001366470871 1147298486 /nfs/dbraw/zinc/29/84/86/1147298486.db2.gz LCVOYYRCCRKHCU-NSHDSACASA-N 0 3 312.797 2.203 20 30 DEEDHN N#Cc1cc(N2CCN(c3ccnc4ccccc43)CC2)ncn1 ZINC001307157068 1147401223 /nfs/dbraw/zinc/40/12/23/1147401223.db2.gz QMRQYCXYTVYBHC-UHFFFAOYSA-N 0 3 316.368 2.223 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001317503552 1147535865 /nfs/dbraw/zinc/53/58/65/1147535865.db2.gz PEQXOYUGAPMHKI-GFCCVEGCSA-N 0 3 302.340 2.323 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc4c3CCOC4)C2)C1 ZINC001313441156 1147563167 /nfs/dbraw/zinc/56/31/67/1147563167.db2.gz XYJSYFZCCNJMIV-UHFFFAOYSA-N 0 3 312.413 2.093 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)Cc2ccccc2C)C1 ZINC001316749898 1147567876 /nfs/dbraw/zinc/56/78/76/1147567876.db2.gz YFZBNOWSKNAKQZ-SFHVURJKSA-N 0 3 316.445 2.009 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001316985247 1147577356 /nfs/dbraw/zinc/57/73/56/1147577356.db2.gz QMCWMRWGGAHYDD-SJORKVTESA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCCOC(C)C)CC(C)(C)C1 ZINC001316811908 1147583445 /nfs/dbraw/zinc/58/34/45/1147583445.db2.gz QLXJYFQFURMQIN-MRXNPFEDSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)[C@H]1C ZINC001316799274 1147601135 /nfs/dbraw/zinc/60/11/35/1147601135.db2.gz PEEDFORGSOGQEW-VMGRFDJRSA-N 0 3 318.465 2.360 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001316827119 1147609434 /nfs/dbraw/zinc/60/94/34/1147609434.db2.gz MJJKJGBSEBMHFQ-UHFFFAOYSA-N 0 3 318.465 2.330 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)NCC ZINC001316878209 1147619367 /nfs/dbraw/zinc/61/93/67/1147619367.db2.gz UTFYRIQGYHVUHA-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CC[C@H](C)C1)C1CC1 ZINC001316924852 1147632561 /nfs/dbraw/zinc/63/25/61/1147632561.db2.gz DZKIYKGKDIKBBK-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(CCCNC(=O)Cc1ccc2c[nH]nc2c1)C1CC1 ZINC001316926203 1147633019 /nfs/dbraw/zinc/63/30/19/1147633019.db2.gz DSTHKBCWNBCEPG-UHFFFAOYSA-N 0 3 324.428 2.099 20 30 DEEDHN CC[C@@H](CNC(=O)c1conc1C)NCc1ccc(C#N)s1 ZINC001367121300 1147652806 /nfs/dbraw/zinc/65/28/06/1147652806.db2.gz IBDIXBVFPPXLTN-NSHDSACASA-N 0 3 318.402 2.214 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001317078381 1147657105 /nfs/dbraw/zinc/65/71/05/1147657105.db2.gz PWFYFROFRDDBMZ-SHTZXODSSA-N 0 3 302.422 2.124 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@@H]1C ZINC001367182711 1147661389 /nfs/dbraw/zinc/66/13/89/1147661389.db2.gz HRRJZMUKHKAXQJ-LRDDRELGSA-N 0 3 324.856 2.359 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001317138556 1147665276 /nfs/dbraw/zinc/66/52/76/1147665276.db2.gz SSNJMBCMNSCFSF-MRXNPFEDSA-N 0 3 317.433 2.003 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)CNCc1nc(C(C)(C)C)cs1 ZINC001367235268 1147667479 /nfs/dbraw/zinc/66/74/79/1147667479.db2.gz AHCVOGYAGRUQMY-NWDGAFQWSA-N 0 3 322.478 2.442 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001317187306 1147673298 /nfs/dbraw/zinc/67/32/98/1147673298.db2.gz YAOGIQBAGBZGRP-OAHLLOKOSA-N 0 3 304.438 2.247 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C2(F)CCOCC2)CCCC1 ZINC001367317514 1147677485 /nfs/dbraw/zinc/67/74/85/1147677485.db2.gz JRRHQEOTQYJJAV-UHFFFAOYSA-N 0 3 318.820 2.276 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)CNC(=O)C1CCCCC1 ZINC001317223423 1147679352 /nfs/dbraw/zinc/67/93/52/1147679352.db2.gz GQTSNSVJDIEJCG-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN Cc1nc(C(=O)N(C)[C@@H](C)CNCc2ccc(C#N)s2)co1 ZINC001367350341 1147682739 /nfs/dbraw/zinc/68/27/39/1147682739.db2.gz RPGFNIOLSPIUGO-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CC(C)(C)c1ccccc1 ZINC001317294968 1147686755 /nfs/dbraw/zinc/68/67/55/1147686755.db2.gz SOQNCMVRMQTFHK-INIZCTEOSA-N 0 3 316.445 2.098 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cncc(C)c2)C1 ZINC001317300248 1147687783 /nfs/dbraw/zinc/68/77/83/1147687783.db2.gz JUXNWGGPDTYVRX-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cc3n(n2)CCCC3)C1 ZINC001317312311 1147689336 /nfs/dbraw/zinc/68/93/36/1147689336.db2.gz GNNVGCYPPLZIEK-HNNXBMFYSA-N 0 3 316.449 2.124 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001317334264 1147692213 /nfs/dbraw/zinc/69/22/13/1147692213.db2.gz QNWILXLIRUWUSH-JKSUJKDBSA-N 0 3 318.465 2.269 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(CC)cn2)C1 ZINC001317381983 1147699514 /nfs/dbraw/zinc/69/95/14/1147699514.db2.gz CLMYFRLDEACWOB-SFHVURJKSA-N 0 3 313.445 2.133 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(COC)CCCCC1 ZINC001317502163 1147716787 /nfs/dbraw/zinc/71/67/87/1147716787.db2.gz ONZAELSGBPNTFA-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](C)n1nc(C)cc1C ZINC001317518101 1147718725 /nfs/dbraw/zinc/71/87/25/1147718725.db2.gz VIEFDQSDODZUDO-CVEARBPZSA-N 0 3 304.438 2.218 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](C)n1nc(C)cc1C ZINC001317518115 1147718825 /nfs/dbraw/zinc/71/88/25/1147718825.db2.gz VIEFDQSDODZUDO-HOTGVXAUSA-N 0 3 304.438 2.218 20 30 DEEDHN Cc1cccc(C(=O)N(C)CCNCc2ccc(C#N)s2)n1 ZINC001317567712 1147726313 /nfs/dbraw/zinc/72/63/13/1147726313.db2.gz ZCQOKEXASCGKAP-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN COC[C@H](C)[C@@H](C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001317594882 1147730784 /nfs/dbraw/zinc/73/07/84/1147730784.db2.gz ZQCXYKDBJGKDCU-LSDHHAIUSA-N 0 3 317.433 2.025 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C[C@@H]1CCCOC1 ZINC001367714354 1147731607 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CN1CC[C@@]2(CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)C1 ZINC000292965068 529801693 /nfs/dbraw/zinc/80/16/93/529801693.db2.gz POESBPOLARAADE-MRXNPFEDSA-N 0 3 302.353 2.257 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1 ZINC000412369219 529810851 /nfs/dbraw/zinc/81/08/51/529810851.db2.gz VSROFVQFNJDMLR-SCTDSRPQSA-N 0 3 309.413 2.216 20 30 DEEDHN CN1CCC2(CCCN2C(=O)c2ccccc2OCC#N)CC1 ZINC000370205323 530051192 /nfs/dbraw/zinc/05/11/92/530051192.db2.gz ZDHGXVKXIUNIIG-UHFFFAOYSA-N 0 3 313.401 2.289 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@](C)(O)c2ccccc2)CC1 ZINC000272733443 210138912 /nfs/dbraw/zinc/13/89/12/210138912.db2.gz HHCVGPDVKPNCEU-IBGZPJMESA-N 0 3 316.445 2.441 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccncc1 ZINC000181936899 199365347 /nfs/dbraw/zinc/36/53/47/199365347.db2.gz QNFSPIINZIWUNW-UHFFFAOYSA-N 0 3 322.412 2.086 20 30 DEEDHN C=CCCCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000279681360 215058085 /nfs/dbraw/zinc/05/80/85/215058085.db2.gz ABVRTNOHOFIXET-UHFFFAOYSA-N 0 3 305.422 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CN(C)Cc1ccccc1CNS(=O)(=O)CCC(C)(C)C#N ZINC000578371279 356805756 /nfs/dbraw/zinc/80/57/56/356805756.db2.gz QOSCRXBOPSZFPC-UHFFFAOYSA-N 0 3 323.462 2.107 20 30 DEEDHN CCN(CC)[C@@H](CNc1ncncc1C#N)c1ccsc1 ZINC000578621609 356846176 /nfs/dbraw/zinc/84/61/76/356846176.db2.gz CAYZRNZSGOWLID-AWEZNQCLSA-N 0 3 301.419 2.327 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578728030 356861691 /nfs/dbraw/zinc/86/16/91/356861691.db2.gz WRPNPEYNQOPICH-BBRMVZONSA-N 0 3 301.390 2.393 20 30 DEEDHN C=CCOc1cccc(NC(=O)c2ccn(CCN(C)C)n2)c1 ZINC000581378242 357177959 /nfs/dbraw/zinc/17/79/59/357177959.db2.gz CNESATTXEUBCQJ-UHFFFAOYSA-N 0 3 314.389 2.262 20 30 DEEDHN N#Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1F ZINC000585817511 357361847 /nfs/dbraw/zinc/36/18/47/357361847.db2.gz WSKPODOWFWHJDL-UHFFFAOYSA-N 0 3 310.332 2.055 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000590669256 357576980 /nfs/dbraw/zinc/57/69/80/357576980.db2.gz KFOMEECJWFUWIC-UHFFFAOYSA-N 0 3 300.406 2.285 20 30 DEEDHN C=C[C@@H](C(=O)OC)N1CCN(c2ccnc3ccccc32)CC1 ZINC000590959392 357653086 /nfs/dbraw/zinc/65/30/86/357653086.db2.gz UYDYPROXUVUNIJ-INIZCTEOSA-N 0 3 311.385 2.084 20 30 DEEDHN Cc1cc(Nc2cnn(CCN(C)C)c2)c(C#N)cc1[N+](=O)[O-] ZINC000591143036 357679243 /nfs/dbraw/zinc/67/92/43/357679243.db2.gz MPHJYTJVTFUDCZ-UHFFFAOYSA-N 0 3 314.349 2.277 20 30 DEEDHN CN(C)[C@@H](CC(=O)N[C@@]1(C#N)CCSC1)c1ccccc1 ZINC000591317513 357706010 /nfs/dbraw/zinc/70/60/10/357706010.db2.gz VNQALXBRHVUINZ-GOEBONIOSA-N 0 3 303.431 2.195 20 30 DEEDHN CCN1CCC[C@H]1CNc1c(C#N)cnc2ccc(OC)cc21 ZINC000591889844 357781421 /nfs/dbraw/zinc/78/14/21/357781421.db2.gz SPJJBZJGCLQLOF-AWEZNQCLSA-N 0 3 310.401 2.433 20 30 DEEDHN CSC[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592514540 357890567 /nfs/dbraw/zinc/89/05/67/357890567.db2.gz GJGQUSAEKIRQNG-LBPRGKRZSA-N 0 3 301.419 2.176 20 30 DEEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C ZINC000592809596 357949449 /nfs/dbraw/zinc/94/94/49/357949449.db2.gz WKNOAXKDISXCPR-FVQBIDKESA-N 0 3 314.385 2.026 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccccc1OC ZINC000662078523 540325710 /nfs/dbraw/zinc/32/57/10/540325710.db2.gz HRAJPUYOVGMGHR-IYBDPMFKSA-N 0 3 300.402 2.494 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666980001 540374502 /nfs/dbraw/zinc/37/45/02/540374502.db2.gz MWWMHIOJHJVYDS-HNNXBMFYSA-N 0 3 309.454 2.284 20 30 DEEDHN Cc1cnn(C)c1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692304 358124835 /nfs/dbraw/zinc/12/48/35/358124835.db2.gz ANFARMHPZCWUCI-UHFFFAOYSA-N 0 3 323.444 2.354 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)C[C@@H](c2ccsc2)O1 ZINC000594433019 358268734 /nfs/dbraw/zinc/26/87/34/358268734.db2.gz JLRZTVYSQCVZKV-YUELXQCFSA-N 0 3 321.446 2.448 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000594442286 358272712 /nfs/dbraw/zinc/27/27/12/358272712.db2.gz CGOXFAVRNDVKDZ-CQSZACIVSA-N 0 3 315.352 2.361 20 30 DEEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000594445491 358274468 /nfs/dbraw/zinc/27/44/68/358274468.db2.gz GLYJRAVVPIKCOW-CQSZACIVSA-N 0 3 318.377 2.357 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594600505 358302831 /nfs/dbraw/zinc/30/28/31/358302831.db2.gz LQXNPNRJQYERLO-UONOGXRCSA-N 0 3 301.350 2.290 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000595255538 358407096 /nfs/dbraw/zinc/40/70/96/358407096.db2.gz FDLSFRCGLAMLES-VXGBXAGGSA-N 0 3 321.343 2.014 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000595258207 358407747 /nfs/dbraw/zinc/40/77/47/358407747.db2.gz SRUFZRQFSOMAFH-JKSUJKDBSA-N 0 3 319.380 2.137 20 30 DEEDHN C=CCCSCCN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000595061038 358384999 /nfs/dbraw/zinc/38/49/99/358384999.db2.gz XINSJGRMOUFUDV-GFCCVEGCSA-N 0 3 314.476 2.294 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCc1ccc(C#N)cc1 ZINC000595444271 358450597 /nfs/dbraw/zinc/45/05/97/358450597.db2.gz MIDZWXJONULPSZ-HNNXBMFYSA-N 0 3 314.433 2.478 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000595658679 358514287 /nfs/dbraw/zinc/51/42/87/358514287.db2.gz HDTSMGDQTKXTON-MRXNPFEDSA-N 0 3 315.417 2.301 20 30 DEEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595314459 358420708 /nfs/dbraw/zinc/42/07/08/358420708.db2.gz ZNMMRCOZWHJSLY-INIZCTEOSA-N 0 3 322.449 2.219 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595787050 358549281 /nfs/dbraw/zinc/54/92/81/358549281.db2.gz SQHNKBPIXTYENX-CVEARBPZSA-N 0 3 306.454 2.442 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595789813 358550548 /nfs/dbraw/zinc/55/05/48/358550548.db2.gz OQXHADSKMNOHGD-IKGGRYGDSA-N 0 3 321.465 2.276 20 30 DEEDHN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)[C@@H](N)CCCC#N ZINC000595961068 358586451 /nfs/dbraw/zinc/58/64/51/358586451.db2.gz ORRGWWRIJCIDOE-KCXAZCMYSA-N 0 3 319.380 2.135 20 30 DEEDHN CCc1nc(C#N)cc(N(C)CCCN(C)Cc2ccco2)n1 ZINC000596232551 358647296 /nfs/dbraw/zinc/64/72/96/358647296.db2.gz VTKYRGBLKZNDPO-UHFFFAOYSA-N 0 3 313.405 2.462 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c[nH]1 ZINC000181154894 199258478 /nfs/dbraw/zinc/25/84/78/199258478.db2.gz XUPFVNUXIMFXRG-QGZVFWFLSA-N 0 3 308.385 2.453 20 30 DEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000596470328 358693574 /nfs/dbraw/zinc/69/35/74/358693574.db2.gz BPEXYCHMHMCNHD-KRWDZBQOSA-N 0 3 322.412 2.275 20 30 DEEDHN CCOC(=O)CC1(NCc2cc(C#N)cs2)CCOCC1 ZINC000597236655 358864767 /nfs/dbraw/zinc/86/47/67/358864767.db2.gz WRGRCYMZMFWPTL-UHFFFAOYSA-N 0 3 308.403 2.212 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CCN1 ZINC000598574785 359246842 /nfs/dbraw/zinc/24/68/42/359246842.db2.gz UCFDWTXFDAZWFQ-MRXNPFEDSA-N 0 3 317.458 2.248 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000598598431 359255910 /nfs/dbraw/zinc/25/59/10/359255910.db2.gz FIAPHSMUWWHXIC-HRCADAONSA-N 0 3 306.381 2.234 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000598622036 359264810 /nfs/dbraw/zinc/26/48/10/359264810.db2.gz XVGXXAHVRFMNHG-JYJNAYRXSA-N 0 3 306.381 2.234 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccco2)C1 ZINC000599290757 359451568 /nfs/dbraw/zinc/45/15/68/359451568.db2.gz ANARBDJNTKYTOQ-HOTGVXAUSA-N 0 3 312.369 2.380 20 30 DEEDHN CCC(C#N)(CC)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000599643306 359553516 /nfs/dbraw/zinc/55/35/16/359553516.db2.gz NWKIHIWNQWYPMC-GJZGRUSLSA-N 0 3 309.454 2.322 20 30 DEEDHN COc1ccc([C@H](NC[C@@H](O)CC(C)(C)C#N)C2CC2)cn1 ZINC000599703672 359580104 /nfs/dbraw/zinc/58/01/04/359580104.db2.gz QPHPBWRUTIFGDD-GOEBONIOSA-N 0 3 303.406 2.432 20 30 DEEDHN C=C(C)[C@@H](NCCCC(=O)NC(N)=O)c1ccc(F)c(F)c1 ZINC000187787987 200156416 /nfs/dbraw/zinc/15/64/16/200156416.db2.gz OAJOJRDZGNSXGN-CQSZACIVSA-N 0 3 311.332 2.147 20 30 DEEDHN Cc1cc(CNC[C@H](O)COc2ccccc2C#N)cc(C)n1 ZINC000600734922 359815308 /nfs/dbraw/zinc/81/53/08/359815308.db2.gz HBZOJRRAUOUAHE-KRWDZBQOSA-N 0 3 311.385 2.100 20 30 DEEDHN N#CCc1ccccc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000600964618 359874970 /nfs/dbraw/zinc/87/49/70/359874970.db2.gz RQGDAYSILYDBBR-UHFFFAOYSA-N 0 3 306.369 2.110 20 30 DEEDHN CN(CC(=O)N(CCC#N)Cc1ccccn1)CC(C)(C)C ZINC000602091606 360261093 /nfs/dbraw/zinc/26/10/93/360261093.db2.gz LYGCPWQDALWTBM-UHFFFAOYSA-N 0 3 302.422 2.302 20 30 DEEDHN CC(C)(C)C(=O)N1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602514236 360411992 /nfs/dbraw/zinc/41/19/92/360411992.db2.gz ILIXJUZEPAJNCO-UHFFFAOYSA-N 0 3 300.406 2.080 20 30 DEEDHN C[C@]1(C#N)CCCN(C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000602804776 360564691 /nfs/dbraw/zinc/56/46/91/360564691.db2.gz KLYQIVHAJHKFEN-RTBURBONSA-N 0 3 313.445 2.249 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000668967884 540759473 /nfs/dbraw/zinc/75/94/73/540759473.db2.gz KOGAKOAHCKPENR-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1[nH]ncc1CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602944536 360636951 /nfs/dbraw/zinc/63/69/51/360636951.db2.gz UDYMGBALUQBYDJ-UHFFFAOYSA-N 0 3 317.780 2.314 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccnc(C#N)c1 ZINC000603137244 360716827 /nfs/dbraw/zinc/71/68/27/360716827.db2.gz ZOXTYICDDONMEL-LBPRGKRZSA-N 0 3 301.394 2.147 20 30 DEEDHN CC[C@H](N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603231787 360758050 /nfs/dbraw/zinc/75/80/50/360758050.db2.gz CJOXCYNIUYMYQS-NSHDSACASA-N 0 3 307.304 2.209 20 30 DEEDHN CC[C@@H](N)c1cn(Cc2ccc(Br)cc2C#N)nn1 ZINC000603241810 360761706 /nfs/dbraw/zinc/76/17/06/360761706.db2.gz NTGNFNYYYVVAQY-GFCCVEGCSA-N 0 3 320.194 2.370 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000292689644 223202533 /nfs/dbraw/zinc/20/25/33/223202533.db2.gz FQAOLIKCKJFBRJ-CQSZACIVSA-N 0 3 314.433 2.228 20 30 DEEDHN C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)N(C)C1CC1 ZINC000609173665 361286726 /nfs/dbraw/zinc/28/67/26/361286726.db2.gz XHRCAEMYDXHUNI-CYBMUJFWSA-N 0 3 310.401 2.377 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000609919741 361349145 /nfs/dbraw/zinc/34/91/45/361349145.db2.gz IJYGTEIURNNOAM-DZGCQCFKSA-N 0 3 313.401 2.250 20 30 DEEDHN C=C(CNC(=O)Nc1cnn(CCN(C)C)c1)c1ccccc1 ZINC000672687370 541054833 /nfs/dbraw/zinc/05/48/33/541054833.db2.gz NFRCIQRPIHJCAI-UHFFFAOYSA-N 0 3 313.405 2.280 20 30 DEEDHN CS(=O)(=O)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CCC1 ZINC000619466013 363804598 /nfs/dbraw/zinc/80/45/98/363804598.db2.gz FLOKIPHSPHEKKV-INIZCTEOSA-N 0 3 318.442 2.493 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000675134218 541291491 /nfs/dbraw/zinc/29/14/91/541291491.db2.gz DNCWUHBVZAPWQM-NVXWUHKLSA-N 0 3 302.418 2.358 20 30 DEEDHN CCC[C@@]1(NCC(=O)N(C)C2(C#N)CCCCC2)CCOC1 ZINC000352826157 283750353 /nfs/dbraw/zinc/75/03/53/283750353.db2.gz AOLCOGJGOYZDDA-MRXNPFEDSA-N 0 3 307.438 2.220 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001422121081 1172319254 /nfs/dbraw/zinc/31/92/54/1172319254.db2.gz MGKLWNCXGLTRPR-KBPBESRZSA-N 0 3 313.873 2.192 20 30 DEEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cccc(C#N)c2)CCN1C ZINC000342253541 404469859 /nfs/dbraw/zinc/46/98/59/404469859.db2.gz VEICXWHEPAJNRJ-PBHICJAKSA-N 0 3 314.433 2.225 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)nn2C)CC1 ZINC000449843885 241148963 /nfs/dbraw/zinc/14/89/63/241148963.db2.gz JMLOCMYDYYZIQJ-UHFFFAOYSA-N 0 3 324.428 2.467 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000275274202 212241048 /nfs/dbraw/zinc/24/10/48/212241048.db2.gz VHGXJCNDDYZGLU-UONOGXRCSA-N 0 3 305.378 2.254 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000677480536 541594349 /nfs/dbraw/zinc/59/43/49/541594349.db2.gz YUXKGTZNCVZSRW-INIZCTEOSA-N 0 3 309.454 2.020 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnn(C)c2C(F)F)CC1 ZINC000677625227 541609154 /nfs/dbraw/zinc/60/91/54/541609154.db2.gz NJUZDPFUFOJHKU-UHFFFAOYSA-N 0 3 313.352 2.130 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cncc(OC)c2C)CC1 ZINC000630943708 367925899 /nfs/dbraw/zinc/92/58/99/367925899.db2.gz SOIUKKYIVUXTQS-UHFFFAOYSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nc(C2CC2)no1)C(C)C ZINC000631323548 368147620 /nfs/dbraw/zinc/14/76/20/368147620.db2.gz DLPUNYVBTJPKFV-CQSZACIVSA-N 0 3 318.421 2.375 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000451478063 243010178 /nfs/dbraw/zinc/01/01/78/243010178.db2.gz ISYGHWGAUDHWHU-HZPDHXFCSA-N 0 3 313.401 2.434 20 30 DEEDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000451600535 243181913 /nfs/dbraw/zinc/18/19/13/243181913.db2.gz SDIXAXHCAXSUTO-WMZOPIPTSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CCC[C@@H](O)CN(CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451714840 243347476 /nfs/dbraw/zinc/34/74/76/243347476.db2.gz QCUGMCPZHIHKNY-ZBFHGGJFSA-N 0 3 318.417 2.015 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 ZINC000253623545 202905170 /nfs/dbraw/zinc/90/51/70/202905170.db2.gz YSUNSHHBTPHYCY-OIISXLGYSA-N 0 3 304.365 2.059 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H]1N1CCCC1 ZINC000275136615 212143238 /nfs/dbraw/zinc/14/32/38/212143238.db2.gz PGLJQDYAQQDYRL-OCCSQVGLSA-N 0 3 321.471 2.272 20 30 DEEDHN C[C@@H]1CN(C(=O)Cc2c(F)cccc2C#N)CCN(C2CC2)C1 ZINC000452173567 244013729 /nfs/dbraw/zinc/01/37/29/244013729.db2.gz NIJQNCFMUPGQJI-ZDUSSCGKSA-N 0 3 315.392 2.183 20 30 DEEDHN C=CCC[C@@H](CO)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453377551 245110339 /nfs/dbraw/zinc/11/03/39/245110339.db2.gz XXEOOGHJARUADV-GJZGRUSLSA-N 0 3 311.447 2.074 20 30 DEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC=CCC2)c(OC)c1 ZINC000679322337 541838833 /nfs/dbraw/zinc/83/88/33/541838833.db2.gz FRDHULDETLZXSF-INIZCTEOSA-N 0 3 303.402 2.425 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000282607516 217122343 /nfs/dbraw/zinc/12/23/43/217122343.db2.gz DLTJSOKRFVJJQV-WFASDCNBSA-N 0 3 306.431 2.277 20 30 DEEDHN C=CCOCCN[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000679575747 541878406 /nfs/dbraw/zinc/87/84/06/541878406.db2.gz AJDHIOIZFWQQMJ-CYBMUJFWSA-N 0 3 312.435 2.301 20 30 DEEDHN C=CCN1CCC(Nc2ccc(C(=O)NCCC)cn2)CC1 ZINC000266434272 205343034 /nfs/dbraw/zinc/34/30/34/205343034.db2.gz UTRYYGCWLLLDPG-UHFFFAOYSA-N 0 3 302.422 2.284 20 30 DEEDHN CO[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000267779598 206277919 /nfs/dbraw/zinc/27/79/19/206277919.db2.gz HOCXKKLSRXBRLR-ZDUSSCGKSA-N 0 3 307.781 2.261 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(F)ccc(F)c2OC)CC1 ZINC000268006400 206390841 /nfs/dbraw/zinc/39/08/41/206390841.db2.gz ZDSPCXOIZATWTC-UHFFFAOYSA-N 0 3 310.344 2.354 20 30 DEEDHN CCNS(=O)(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000459645213 248657554 /nfs/dbraw/zinc/65/75/54/248657554.db2.gz KYXFMEVKNKJXQZ-DZGCQCFKSA-N 0 3 321.446 2.157 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000493262295 249262773 /nfs/dbraw/zinc/26/27/73/249262773.db2.gz PZRJACLHYMXONJ-YFHOEESVSA-N 0 3 301.390 2.059 20 30 DEEDHN CN1CCC[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104918400 194054116 /nfs/dbraw/zinc/05/41/16/194054116.db2.gz INTPXUAJQAVMFU-QGZVFWFLSA-N 0 3 313.401 2.022 20 30 DEEDHN CCc1nc2ccccc2c(NCCn2cnc(C#N)n2)c1C ZINC000553654936 291747599 /nfs/dbraw/zinc/74/75/99/291747599.db2.gz OJBUGQZNIPRRJB-UHFFFAOYSA-N 0 3 306.373 2.103 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1N1CCCC1 ZINC000273532565 210846935 /nfs/dbraw/zinc/84/69/35/210846935.db2.gz RIWPMJBKYOOEHI-HOTGVXAUSA-N 0 3 315.442 2.210 20 30 DEEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269158609 207282509 /nfs/dbraw/zinc/28/25/09/207282509.db2.gz SYMSETGGBBZOSF-UHFFFAOYSA-N 0 3 324.812 2.254 20 30 DEEDHN CN(C)C(=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000269409977 207519624 /nfs/dbraw/zinc/51/96/24/207519624.db2.gz IWTNGOXFNWWRRK-DZGCQCFKSA-N 0 3 303.381 2.434 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000537661777 285010359 /nfs/dbraw/zinc/01/03/59/285010359.db2.gz UWFCJGOCWOQQEC-MRXNPFEDSA-N 0 3 318.490 2.220 20 30 DEEDHN CC1(C)C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)(C)O1 ZINC000119801181 195039348 /nfs/dbraw/zinc/03/93/48/195039348.db2.gz CJZXDMLUAONMQG-AWEZNQCLSA-N 0 3 301.390 2.432 20 30 DEEDHN COC(=O)c1cccc(CN[C@H](C)C2CCOCC2)c1C#N ZINC000539359660 285074346 /nfs/dbraw/zinc/07/43/46/285074346.db2.gz YEMGZEHSKWBIAP-GFCCVEGCSA-N 0 3 302.374 2.250 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccnc(Cl)c2)CC1 ZINC000492313667 533045703 /nfs/dbraw/zinc/04/57/03/533045703.db2.gz RCCFZVWPGSSMIF-PLNGDYQASA-N 0 3 317.820 2.352 20 30 DEEDHN CN(C)[C@@]1(CNc2nc3ccccn3c2C#N)CCSC1 ZINC000272938538 210323796 /nfs/dbraw/zinc/32/37/96/210323796.db2.gz UVALCPCUJPWNTL-OAHLLOKOSA-N 0 3 301.419 2.055 20 30 DEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000340440650 533112890 /nfs/dbraw/zinc/11/28/90/533112890.db2.gz QGLYZDYWJDARDB-GXFFZTMASA-N 0 3 310.300 2.348 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000157762153 197213537 /nfs/dbraw/zinc/21/35/37/197213537.db2.gz SFKTVQBSBMMSDW-GUYCJALGSA-N 0 3 308.385 2.137 20 30 DEEDHN COCCO[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000337185366 533152502 /nfs/dbraw/zinc/15/25/02/533152502.db2.gz OXOQKGAFIDZZBQ-MRXNPFEDSA-N 0 3 310.438 2.214 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000491383167 533163351 /nfs/dbraw/zinc/16/33/51/533163351.db2.gz KYPBZIBDEJNACI-OAHLLOKOSA-N 0 3 306.356 2.111 20 30 DEEDHN COC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000543454074 285288373 /nfs/dbraw/zinc/28/83/73/285288373.db2.gz HPMDOXIDEIWKPR-ZDUSSCGKSA-N 0 3 309.435 2.436 20 30 DEEDHN O[C@H]1CCC[C@H]1N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000363603210 285365646 /nfs/dbraw/zinc/36/56/46/285365646.db2.gz HRLGSSRJFLWCAD-MSOLQXFVSA-N 0 3 318.848 2.223 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(OC(F)F)c1 ZINC000424083863 533262481 /nfs/dbraw/zinc/26/24/81/533262481.db2.gz BJSHWKHEPRQHRZ-ZWNOBZJWSA-N 0 3 311.332 2.486 20 30 DEEDHN C[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)N(C)C ZINC000330405991 533363134 /nfs/dbraw/zinc/36/31/34/533363134.db2.gz QTBQQWZGTCZEEE-ZDUSSCGKSA-N 0 3 318.421 2.199 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CNc1ccc(C#N)cc1 ZINC000330717124 533389517 /nfs/dbraw/zinc/38/95/17/533389517.db2.gz ABIFYLBXMDLCPM-AWEZNQCLSA-N 0 3 314.433 2.159 20 30 DEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/CN(C)C ZINC000493780681 533509399 /nfs/dbraw/zinc/50/93/99/533509399.db2.gz DPWDPPKVOXAIEP-BQYQJAHWSA-N 0 3 304.438 2.487 20 30 DEEDHN N#Cc1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000368533084 133277387 /nfs/dbraw/zinc/27/73/87/133277387.db2.gz XGMCWYRFSJOOKL-HZPDHXFCSA-N 0 3 305.809 2.247 20 30 DEEDHN N#Cc1cc(Cl)ccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000376337137 133290935 /nfs/dbraw/zinc/29/09/35/133290935.db2.gz XCVLYKDGQXGJIZ-SJORKVTESA-N 0 3 319.836 2.243 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)C(C)C ZINC000547417345 285575750 /nfs/dbraw/zinc/57/57/50/285575750.db2.gz IBHGLBJUJMEJQV-UHFFFAOYSA-N 0 3 304.394 2.371 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCn1nc(C(F)(F)F)cc1C ZINC001354747482 1151932539 /nfs/dbraw/zinc/93/25/39/1151932539.db2.gz KZQVXZZZVVJUMW-LLVKDONJSA-N 0 3 318.343 2.010 20 30 DEEDHN CCn1cc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000297149423 404472921 /nfs/dbraw/zinc/47/29/21/404472921.db2.gz LUXSWDJHFMXXNH-CZUORRHYSA-N 0 3 321.384 2.334 20 30 DEEDHN N#Cc1ccc(CNCCc2cn3c(n2)SCC3)cc1F ZINC000564808867 292112028 /nfs/dbraw/zinc/11/20/28/292112028.db2.gz KNTOLKFARZJWAH-UHFFFAOYSA-N 0 3 302.378 2.332 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1(N(C)C)CCC1 ZINC000187880316 145004280 /nfs/dbraw/zinc/00/42/80/145004280.db2.gz OKZQBWWVDOOEOS-AWEZNQCLSA-N 0 3 314.433 2.301 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](CNCc2ncc(C)s2)[C@H](C)C1 ZINC001106065043 782000533 /nfs/dbraw/zinc/00/05/33/782000533.db2.gz NLRMMLADVWAQFR-UKRRQHHQSA-N 0 3 319.474 2.439 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346176830 146031533 /nfs/dbraw/zinc/03/15/33/146031533.db2.gz ZYAWACYZNOQHBN-XHBSWPGZSA-N 0 3 301.390 2.262 20 30 DEEDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(C#N)c(F)c1 ZINC000346198949 146036768 /nfs/dbraw/zinc/03/67/68/146036768.db2.gz RZSDPDWTDSZDQL-BLLLJJGKSA-N 0 3 303.381 2.211 20 30 DEEDHN CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)N1CCc2ccccc2C1 ZINC000346685104 146123925 /nfs/dbraw/zinc/12/39/25/146123925.db2.gz IKBACPDAFMUILN-GOSISDBHSA-N 0 3 322.412 2.453 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000358493651 147145199 /nfs/dbraw/zinc/14/51/99/147145199.db2.gz GYWYHHKDYNYUHK-AWEZNQCLSA-N 0 3 312.417 2.307 20 30 DEEDHN CCOc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000112537320 401748398 /nfs/dbraw/zinc/74/83/98/401748398.db2.gz ZJSHTJYIXMKHOK-ZIAGYGMSSA-N 0 3 303.406 2.496 20 30 DEEDHN CC(C)(C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000112186642 401732519 /nfs/dbraw/zinc/73/25/19/401732519.db2.gz QVNZDSOHGOWKRN-UHFFFAOYSA-N 0 3 309.479 2.404 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(C#N)cn1)N(C)Cc1ccccc1 ZINC000110351451 401689343 /nfs/dbraw/zinc/68/93/43/401689343.db2.gz JHOUVDJXXKQACG-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000329902145 404488220 /nfs/dbraw/zinc/48/82/20/404488220.db2.gz PERIMVCIFIZSJA-ZDUSSCGKSA-N 0 3 320.437 2.481 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000329901775 404488260 /nfs/dbraw/zinc/48/82/60/404488260.db2.gz OVOIBWYTYLIIMR-QLFBSQMISA-N 0 3 319.453 2.218 20 30 DEEDHN C=CCOc1ccccc1CN[C@H](C)CCN1CCOCC1 ZINC000076898286 401801085 /nfs/dbraw/zinc/80/10/85/401801085.db2.gz JVVMCBONGFNCTH-MRXNPFEDSA-N 0 3 304.434 2.452 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000113264496 401773366 /nfs/dbraw/zinc/77/33/66/401773366.db2.gz WUWJAOTZZQZXCE-INIZCTEOSA-N 0 3 315.417 2.014 20 30 DEEDHN C#CCSCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000130309647 401826929 /nfs/dbraw/zinc/82/69/29/401826929.db2.gz WFEQBFNMPMRRSM-UHFFFAOYSA-N 0 3 302.443 2.379 20 30 DEEDHN C=CCNC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000078301088 401846538 /nfs/dbraw/zinc/84/65/38/401846538.db2.gz FPIZYNFOSHEZHV-UHFFFAOYSA-N 0 3 316.401 2.119 20 30 DEEDHN Cc1nc(C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1C#N ZINC000028881540 401853060 /nfs/dbraw/zinc/85/30/60/401853060.db2.gz YVRYXIDWPWUWHS-QGZVFWFLSA-N 0 3 308.385 2.294 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)C[C@H](O)c2cccs2)CC1 ZINC000133314058 401881649 /nfs/dbraw/zinc/88/16/49/401881649.db2.gz WAYCSIDFMKGYCV-HIFRSBDPSA-N 0 3 320.458 2.022 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cncc(C)c2)CC1 ZINC000134175806 401900288 /nfs/dbraw/zinc/90/02/88/401900288.db2.gz MWGVWJZMPNKAJI-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN C[C@@H](CCS(C)(=O)=O)NCc1cccc(OCCCC#N)c1 ZINC000134577785 401906885 /nfs/dbraw/zinc/90/68/85/401906885.db2.gz JVRWLJNNSRJWBR-AWEZNQCLSA-N 0 3 324.446 2.282 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCO1 ZINC000119500824 401954702 /nfs/dbraw/zinc/95/47/02/401954702.db2.gz SKRGIPZCVZTRFB-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN CN(C)CCOc1cc(CNCc2cccc(C#N)c2)ccn1 ZINC000136220442 401962972 /nfs/dbraw/zinc/96/29/72/401962972.db2.gz YQTSGIAKOLAYHP-UHFFFAOYSA-N 0 3 310.401 2.183 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000046380523 401969558 /nfs/dbraw/zinc/96/95/58/401969558.db2.gz DJNURVRFLWRELF-OAHLLOKOSA-N 0 3 314.433 2.432 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC1CCOCC1 ZINC000120410635 401989343 /nfs/dbraw/zinc/98/93/43/401989343.db2.gz PQDQVDGONJMFIQ-RHSMWYFYSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccccc1C#N ZINC000120405007 401989364 /nfs/dbraw/zinc/98/93/64/401989364.db2.gz MYUNPVLFEYDSIC-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN CN(CCC1CCOCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000120552295 401994157 /nfs/dbraw/zinc/99/41/57/401994157.db2.gz PYKQCQUPYZPUFH-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN C=CCOc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1OC ZINC000151176358 402021595 /nfs/dbraw/zinc/02/15/95/402021595.db2.gz CVEKGJAELJICFI-HNNXBMFYSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000150897097 402003653 /nfs/dbraw/zinc/00/36/53/402003653.db2.gz KZYHNOJEZCLBFI-NSHDSACASA-N 0 3 323.359 2.441 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000152302452 402088069 /nfs/dbraw/zinc/08/80/69/402088069.db2.gz PCRVGIDABOKKGG-OTWHNJEPSA-N 0 3 308.425 2.034 20 30 DEEDHN Cc1nn(C)c(C)c1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122971599 402104043 /nfs/dbraw/zinc/10/40/43/402104043.db2.gz NQMIMUUIHKVTNE-GFCCVEGCSA-N 0 3 307.357 2.414 20 30 DEEDHN N#CCSCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000061568060 402107990 /nfs/dbraw/zinc/10/79/90/402107990.db2.gz DQJIOVIFKQGPOH-UHFFFAOYSA-N 0 3 323.487 2.333 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)CSc1ccc(C#N)cc1 ZINC000151976185 402068950 /nfs/dbraw/zinc/06/89/50/402068950.db2.gz AGMJAOPDNWZFFN-UHFFFAOYSA-N 0 3 305.447 2.449 20 30 DEEDHN CCCCCCCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000153148327 402129877 /nfs/dbraw/zinc/12/98/77/402129877.db2.gz LNRYOXDBTMUSDM-MRXNPFEDSA-N 0 3 323.481 2.112 20 30 DEEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)C(=O)NC(C)(C)C ZINC000067502633 402161053 /nfs/dbraw/zinc/16/10/53/402161053.db2.gz LQCDFYQRHUBDMR-CQSZACIVSA-N 0 3 316.449 2.429 20 30 DEEDHN N#Cc1cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)ccc1F ZINC000102954780 402175465 /nfs/dbraw/zinc/17/54/65/402175465.db2.gz HIZNGEWWRSCDBA-CQSZACIVSA-N 0 3 302.353 2.399 20 30 DEEDHN C#CCOc1ccccc1CNCCC(=O)N1CCCCC1 ZINC000069715739 402240626 /nfs/dbraw/zinc/24/06/26/402240626.db2.gz PGMPXIBSCQBGCE-UHFFFAOYSA-N 0 3 300.402 2.191 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000155380645 402254473 /nfs/dbraw/zinc/25/44/73/402254473.db2.gz MIXJMFCFEDJGBQ-WMZOPIPTSA-N 0 3 314.429 2.196 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)S1 ZINC000070383306 402259761 /nfs/dbraw/zinc/25/97/61/402259761.db2.gz LEHQAZBNVNUOEV-NFAWXSAZSA-N 0 3 306.431 2.124 20 30 DEEDHN CC(C)(C)CNC(=O)C(C)(C)NCCOc1ccc(C#N)cc1 ZINC000155512092 402259770 /nfs/dbraw/zinc/25/97/70/402259770.db2.gz OPDRQNBSPFSBLZ-UHFFFAOYSA-N 0 3 317.433 2.468 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(C#N)cs1 ZINC000176176698 402286491 /nfs/dbraw/zinc/28/64/91/402286491.db2.gz QHDFHKKMPRRDNQ-UHFFFAOYSA-N 0 3 303.387 2.417 20 30 DEEDHN COCCCON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000157201874 402292910 /nfs/dbraw/zinc/29/29/10/402292910.db2.gz BHYFSRWPMGCPML-UHFFFAOYSA-N 0 3 305.422 2.346 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000158597373 402308897 /nfs/dbraw/zinc/30/88/97/402308897.db2.gz JRQFODWWOXFAKR-UHFFFAOYSA-N 0 3 301.390 2.066 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185628634 402365830 /nfs/dbraw/zinc/36/58/30/402365830.db2.gz JQJYRQGDDRMTQK-INIZCTEOSA-N 0 3 324.513 2.447 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000176686794 402328943 /nfs/dbraw/zinc/32/89/43/402328943.db2.gz QKLFJZHBCKNCAC-GJZGRUSLSA-N 0 3 315.417 2.177 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000176686777 402329007 /nfs/dbraw/zinc/32/90/07/402329007.db2.gz QKLFJZHBCKNCAC-GASCZTMLSA-N 0 3 315.417 2.177 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159795670 402331029 /nfs/dbraw/zinc/33/10/29/402331029.db2.gz GOANVQDMLAEFBH-UHFFFAOYSA-N 0 3 300.402 2.176 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000177360403 402394390 /nfs/dbraw/zinc/39/43/90/402394390.db2.gz UINSETOPCPGUMP-ZWKOTPCHSA-N 0 3 311.429 2.495 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000186722045 402459591 /nfs/dbraw/zinc/45/95/91/402459591.db2.gz UMHAJPBWUYPLGX-BJMVGYQFSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)C[C@@H]1CCCO1 ZINC000187814525 402512366 /nfs/dbraw/zinc/51/23/66/402512366.db2.gz QAFPFCUYFUWNEA-SJORKVTESA-N 0 3 305.418 2.266 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CNc2ccccc2)CC1 ZINC000178217031 402472300 /nfs/dbraw/zinc/47/23/00/402472300.db2.gz JNPLUQIZMJZSJN-OAHLLOKOSA-N 0 3 316.449 2.437 20 30 DEEDHN COCCCN1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171098307 402557601 /nfs/dbraw/zinc/55/76/01/402557601.db2.gz NXDPCHWBPATDMH-UHFFFAOYSA-N 0 3 316.405 2.181 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000178794878 402540489 /nfs/dbraw/zinc/54/04/89/402540489.db2.gz MHFHOPKZSRIIBA-KRWDZBQOSA-N 0 3 300.402 2.067 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000171727867 402615740 /nfs/dbraw/zinc/61/57/40/402615740.db2.gz APXIGNKYMASVEH-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=CCN1CCC(NC(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000171738080 402616716 /nfs/dbraw/zinc/61/67/16/402616716.db2.gz MIORYAQLNHKKSM-UHFFFAOYSA-N 0 3 314.433 2.406 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000171740660 402617546 /nfs/dbraw/zinc/61/75/46/402617546.db2.gz SSSLJRBRDNZSMT-OAHLLOKOSA-N 0 3 317.437 2.297 20 30 DEEDHN Cn1cc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N ZINC000191068542 402639960 /nfs/dbraw/zinc/63/99/60/402639960.db2.gz DXTREMIQLICPKX-CQSZACIVSA-N 0 3 318.421 2.386 20 30 DEEDHN Cn1cc(CNCC(C)(C)NC(=O)OC(C)(C)C)cc1C#N ZINC000191297451 402658391 /nfs/dbraw/zinc/65/83/91/402658391.db2.gz VWESBUGQQGTRGD-UHFFFAOYSA-N 0 3 306.410 2.290 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000191403074 402667051 /nfs/dbraw/zinc/66/70/51/402667051.db2.gz VODFIXVWYSKUAI-BMFZPTHFSA-N 0 3 309.454 2.178 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000182122055 402667300 /nfs/dbraw/zinc/66/73/00/402667300.db2.gz HTRIZHYPBSFDCA-AWEZNQCLSA-N 0 3 311.385 2.261 20 30 DEEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191619224 402682097 /nfs/dbraw/zinc/68/20/97/402682097.db2.gz ZYWAYPKJXCEZBT-HOTGVXAUSA-N 0 3 313.405 2.123 20 30 DEEDHN CN1CCN(Cc2ccc(CNCc3ccc(C#N)o3)cc2)CC1 ZINC000174284693 402735138 /nfs/dbraw/zinc/73/51/38/402735138.db2.gz QKERXFHMVMQPEY-UHFFFAOYSA-N 0 3 324.428 2.188 20 30 DEEDHN CCOC(=O)N1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000192625385 402741105 /nfs/dbraw/zinc/74/11/05/402741105.db2.gz RRAAZHBCDYWTRQ-UHFFFAOYSA-N 0 3 305.353 2.408 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000263884571 402815972 /nfs/dbraw/zinc/81/59/72/402815972.db2.gz OJBQYRIWUQGRFN-UONOGXRCSA-N 0 3 303.406 2.122 20 30 DEEDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000278266318 402862470 /nfs/dbraw/zinc/86/24/70/402862470.db2.gz OJKPCLMVAIGPLR-HOTGVXAUSA-N 0 3 306.431 2.403 20 30 DEEDHN C[C@@H](NCC1(N2CCOCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000278799816 402872597 /nfs/dbraw/zinc/87/25/97/402872597.db2.gz RCPZNFBYBRXOQT-CYBMUJFWSA-N 0 3 303.381 2.213 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOc2ccccc2)CC1 ZINC000264416573 402876186 /nfs/dbraw/zinc/87/61/86/402876186.db2.gz QCKUULNRKJBANX-UHFFFAOYSA-N 0 3 303.406 2.015 20 30 DEEDHN CC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 ZINC000278886363 402882231 /nfs/dbraw/zinc/88/22/31/402882231.db2.gz YGTOCWBXSRYUCF-SJORKVTESA-N 0 3 323.400 2.138 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC#Cc2ccccc2)C1 ZINC000272516942 402947694 /nfs/dbraw/zinc/94/76/94/402947694.db2.gz YONWSXDBLJBWOK-ROUUACIJSA-N 0 3 311.429 2.164 20 30 DEEDHN C[C@H](O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272533257 402949884 /nfs/dbraw/zinc/94/98/84/402949884.db2.gz NKFCVMGSRSDURL-BBRMVZONSA-N 0 3 310.401 2.161 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCCC[C@@H]1O ZINC000272557716 402952991 /nfs/dbraw/zinc/95/29/91/402952991.db2.gz PKQBPQZWMRMDGZ-CVEARBPZSA-N 0 3 318.417 2.429 20 30 DEEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccccc1C#N ZINC000265934519 402963244 /nfs/dbraw/zinc/96/32/44/402963244.db2.gz DVWXLAMRDJFQQH-DDUYRFODSA-N 0 3 313.401 2.288 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000279953810 402965699 /nfs/dbraw/zinc/96/56/99/402965699.db2.gz GTUMFDVPQYNERA-XMTFNYHQSA-N 0 3 323.396 2.314 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000279273848 402925194 /nfs/dbraw/zinc/92/51/94/402925194.db2.gz AZGHFIBCHGUFPX-FSPWUOQZSA-N 0 3 323.396 2.266 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000280134734 402968011 /nfs/dbraw/zinc/96/80/11/402968011.db2.gz VLPJIIGLMNCSGM-SQNIBIBYSA-N 0 3 323.396 2.314 20 30 DEEDHN C=CCC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273374766 402999059 /nfs/dbraw/zinc/99/90/59/402999059.db2.gz BHKAGCSGTJERGM-GFCCVEGCSA-N 0 3 312.391 2.313 20 30 DEEDHN CN(CCc1nccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280241833 402978923 /nfs/dbraw/zinc/97/89/23/402978923.db2.gz WSYCBLZKWLGZLF-HNNXBMFYSA-N 0 3 324.409 2.398 20 30 DEEDHN CN(C)CCN(CCCc1ccccc1)C(=O)NCCCC#N ZINC000273222394 402984506 /nfs/dbraw/zinc/98/45/06/402984506.db2.gz LADIWPZLPQYZHZ-UHFFFAOYSA-N 0 3 316.449 2.496 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268533782 403092467 /nfs/dbraw/zinc/09/24/67/403092467.db2.gz XWWJVNRDWSXORI-NWDGAFQWSA-N 0 3 303.366 2.394 20 30 DEEDHN C[C@@H](CCN1CCN(C)CC1)Nc1c(F)cc(C#N)cc1F ZINC000274439708 403056012 /nfs/dbraw/zinc/05/60/12/403056012.db2.gz GLWLZLIRZXRYOV-LBPRGKRZSA-N 0 3 308.376 2.274 20 30 DEEDHN CCC(CC)(CO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281404823 403067448 /nfs/dbraw/zinc/06/74/48/403067448.db2.gz CJOVBLWLXIFULM-INIZCTEOSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000281577400 403071670 /nfs/dbraw/zinc/07/16/70/403071670.db2.gz XWEVBOFVCHAYOT-AWEZNQCLSA-N 0 3 303.406 2.158 20 30 DEEDHN CN(Cc1ccccc1)[C@H](CNC(=O)NCCCC#N)C1CC1 ZINC000275049999 403099607 /nfs/dbraw/zinc/09/96/07/403099607.db2.gz LGYMGIOCDWKSLL-QGZVFWFLSA-N 0 3 314.433 2.500 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000282115205 403123911 /nfs/dbraw/zinc/12/39/11/403123911.db2.gz XHOXFHXWOXHPDW-QGZVFWFLSA-N 0 3 300.402 2.359 20 30 DEEDHN CN1CCCN(c2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2)CC1 ZINC000269738177 403162373 /nfs/dbraw/zinc/16/23/73/403162373.db2.gz ZASLLOAQNVOUBP-UHFFFAOYSA-N 0 3 323.400 2.281 20 30 DEEDHN CC(C)[C@@H](CNCc1ccc(C#N)cc1F)N1CCOCC1 ZINC000269397639 403136333 /nfs/dbraw/zinc/13/63/33/403136333.db2.gz FHSLESAACOUHEO-QGZVFWFLSA-N 0 3 305.397 2.144 20 30 DEEDHN CC(C)Oc1ccc(NC(=O)N(C)CCN(C)C)cc1C#N ZINC000269411726 403137489 /nfs/dbraw/zinc/13/74/89/403137489.db2.gz ZTUITOUPMQFRDX-UHFFFAOYSA-N 0 3 304.394 2.371 20 30 DEEDHN CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000282604033 403157047 /nfs/dbraw/zinc/15/70/47/403157047.db2.gz 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/nfs/dbraw/zinc/18/55/87/403185587.db2.gz APBIGPCUNONYDW-UHFFFAOYSA-N 0 3 309.435 2.060 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000270497674 403195969 /nfs/dbraw/zinc/19/59/69/403195969.db2.gz WALAAPQQHFLICN-ZIAGYGMSSA-N 0 3 304.419 2.068 20 30 DEEDHN C[C@H]1CN(c2cnc(C#N)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000345335582 403292201 /nfs/dbraw/zinc/29/22/01/403292201.db2.gz ZLHRVCNHKWSCCB-GJZGRUSLSA-N 0 3 307.401 2.447 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(C[C@H]3C(=O)OC)CC2)cc1 ZINC000271186934 403275869 /nfs/dbraw/zinc/27/58/69/403275869.db2.gz NJJUGZOCXVTHJX-KRWDZBQOSA-N 0 3 313.397 2.474 20 30 DEEDHN N#Cc1ncn(CCNCc2ccccc2OC2CCCC2)n1 ZINC000285413034 403290891 /nfs/dbraw/zinc/29/08/91/403290891.db2.gz GCBDVIPDXLFJHD-UHFFFAOYSA-N 0 3 311.389 2.261 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292143089 403304336 /nfs/dbraw/zinc/30/43/36/403304336.db2.gz MSSGCUVKLTXQLJ-QZTJIDSGSA-N 0 3 300.402 2.340 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3cccc(OCC#N)c3)C2)C1 ZINC000292503176 403364926 /nfs/dbraw/zinc/36/49/26/403364926.db2.gz BGCGGOMXMNHTIE-QGZVFWFLSA-N 0 3 314.389 2.148 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000331281497 403368047 /nfs/dbraw/zinc/36/80/47/403368047.db2.gz CJRUNQBDUPNLJW-DCGLDWPTSA-N 0 3 309.454 2.365 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)C1 ZINC000339155272 403371076 /nfs/dbraw/zinc/37/10/76/403371076.db2.gz QVCQYYGKJJOJFB-XWSJACJDSA-N 0 3 311.429 2.264 20 30 DEEDHN C=CCc1cc(CN[C@H](C(=O)NCC)C(C)C)cc(OC)c1O ZINC000293121516 403393055 /nfs/dbraw/zinc/39/30/55/403393055.db2.gz ZDHYMHIRCWSHFH-INIZCTEOSA-N 0 3 320.433 2.380 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)CNc2cccc(C#N)c2)cc1 ZINC000342930752 403400358 /nfs/dbraw/zinc/40/03/58/403400358.db2.gz UYJKDVKZQAULJV-UHFFFAOYSA-N 0 3 322.412 2.348 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000298691275 403440674 /nfs/dbraw/zinc/44/06/74/403440674.db2.gz ONQZXTSSZSMJGW-DOTOQJQBSA-N 0 3 314.433 2.452 20 30 DEEDHN CCOC1CC(CN2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000286097331 403449148 /nfs/dbraw/zinc/44/91/48/403449148.db2.gz UPPSLHBSEMZUEX-UHFFFAOYSA-N 0 3 313.445 2.491 20 30 DEEDHN CO[C@]1(C)CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000331827115 403457618 /nfs/dbraw/zinc/45/76/18/403457618.db2.gz CUGCPFMTTCJRDZ-DJIMGWMZSA-N 0 3 309.454 2.320 20 30 DEEDHN CCN(CCN1CCCCCC1)C(=O)c1cc(C#N)ccn1 ZINC000332041037 403468361 /nfs/dbraw/zinc/46/83/61/403468361.db2.gz VMBQZSIFTNGXSN-UHFFFAOYSA-N 0 3 300.406 2.291 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000298830961 403470926 /nfs/dbraw/zinc/47/09/26/403470926.db2.gz VYLLASFBUDYPCM-SWLSCSKDSA-N 0 3 307.415 2.170 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)C(C)C#N)N1CCCCC1 ZINC000345761553 403472891 /nfs/dbraw/zinc/47/28/91/403472891.db2.gz LMBWYPZHVRPRBN-GDBMZVCRSA-N 0 3 315.417 2.498 20 30 DEEDHN CC(C#N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000345765913 403475709 /nfs/dbraw/zinc/47/57/09/403475709.db2.gz PQPKPUVIYCTDCD-CQSZACIVSA-N 0 3 305.422 2.177 20 30 DEEDHN CC#CCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286792030 403546041 /nfs/dbraw/zinc/54/60/41/403546041.db2.gz RYYLXLTVHUCMKK-LJQANCHMSA-N 0 3 311.429 2.317 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccccc1C(F)(F)F ZINC000293889834 403591267 /nfs/dbraw/zinc/59/12/67/403591267.db2.gz DICIVOMXYSGNOM-UHFFFAOYSA-N 0 3 312.335 2.319 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1ccccc1OC ZINC000293917019 403598383 /nfs/dbraw/zinc/59/83/83/403598383.db2.gz GPBDQGWPTUVCDT-HNNXBMFYSA-N 0 3 302.418 2.260 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)CC(C)C ZINC000346782091 403601275 /nfs/dbraw/zinc/60/12/75/403601275.db2.gz SFHINFIMAZNOBM-UHFFFAOYSA-N 0 3 303.406 2.156 20 30 DEEDHN N#CC1(F)CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000345999838 403564562 /nfs/dbraw/zinc/56/45/62/403564562.db2.gz OKBCSLHGQFHMCP-AWEZNQCLSA-N 0 3 308.401 2.041 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)SCc1ccccc1 ZINC000293856340 403582647 /nfs/dbraw/zinc/58/26/47/403582647.db2.gz AULNYWUKDADERD-HNNXBMFYSA-N 0 3 304.459 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/nfs/dbraw/zinc/40/00/09/404400009.db2.gz UEYBQLNUNCPJHP-MFKMUULPSA-N 0 3 306.410 2.117 20 30 DEEDHN CC1(C)C[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)C(C)(C)O1 ZINC000329627225 404400018 /nfs/dbraw/zinc/40/00/18/404400018.db2.gz UEYBQLNUNCPJHP-MFKMUULPSA-N 0 3 306.410 2.117 20 30 DEEDHN CCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000352500322 404415926 /nfs/dbraw/zinc/41/59/26/404415926.db2.gz OLLOLAXTVIBJFV-OAHLLOKOSA-N 0 3 321.446 2.019 20 30 DEEDHN Cc1ncoc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000329969311 404510622 /nfs/dbraw/zinc/51/06/22/404510622.db2.gz UKUHWHBEEQHMDG-UHFFFAOYSA-N 0 3 307.394 2.323 20 30 DEEDHN Cc1nc(C)c(C(=O)NC(C)(C)CCN2CCN(C)CC2)o1 ZINC000329987967 404516688 /nfs/dbraw/zinc/51/66/88/404516688.db2.gz GQYIBZUPDGAZIR-UHFFFAOYSA-N 0 3 308.426 2.012 20 30 DEEDHN C[C@@H]1C[C@@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)CC(=O)N1 ZINC000330000628 404521968 /nfs/dbraw/zinc/52/19/68/404521968.db2.gz WTUPDABUNQZZNN-ZIAGYGMSSA-N 0 3 324.469 2.114 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000342204028 404440577 /nfs/dbraw/zinc/44/05/77/404440577.db2.gz GMBJLDNHZKQEPZ-UHFFFAOYSA-N 0 3 316.449 2.330 20 30 DEEDHN Cc1c(C(=O)NC2(CN(C)C)CCC2)cnn1C1CCOCC1 ZINC000329792912 404454790 /nfs/dbraw/zinc/45/47/90/404454790.db2.gz AMNPCGIOMDRDFV-UHFFFAOYSA-N 0 3 320.437 2.332 20 30 DEEDHN CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000329795101 404454893 /nfs/dbraw/zinc/45/48/93/404454893.db2.gz CODMCUSDEUVBAT-CZUORRHYSA-N 0 3 321.465 2.320 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](O)C[C@@H]1C)C(C)C ZINC000291638532 404458025 /nfs/dbraw/zinc/45/80/25/404458025.db2.gz MGHOLPFLNMKGPW-ULQDDVLXSA-N 0 3 323.481 2.240 20 30 DEEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000330203590 404584012 /nfs/dbraw/zinc/58/40/12/404584012.db2.gz AXZXZAGYOMCEJB-WBMJQRKESA-N 0 3 304.346 2.160 20 30 DEEDHN CN(C)C[C@@H]1CCCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330037590 404535237 /nfs/dbraw/zinc/53/52/37/404535237.db2.gz ZFUYXSJEIKOJLH-GPANFISMSA-N 0 3 321.465 2.464 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)[C@H]1CCC[C@@H]1O ZINC000352676478 404538808 /nfs/dbraw/zinc/53/88/08/404538808.db2.gz SXWXXVLLWFFQMZ-BPUTZDHNSA-N 0 3 322.474 2.496 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000330063757 404543185 /nfs/dbraw/zinc/54/31/85/404543185.db2.gz QJBZOMXSKUBBMO-JKSUJKDBSA-N 0 3 306.454 2.441 20 30 DEEDHN CC(C(=O)NC[C@H]1CC=CCC1)S(=O)(=O)C1CCOCC1 ZINC000330164042 404570331 /nfs/dbraw/zinc/57/03/31/404570331.db2.gz SWWDGOVBYRTVFZ-OLZOCXBDSA-N 0 3 315.435 2.282 20 30 DEEDHN CC(C)(C)[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CCO1 ZINC000330178673 404574955 /nfs/dbraw/zinc/57/49/55/404574955.db2.gz DWUPNZVPLNRXEW-MJBXVCDLSA-N 0 3 320.437 2.295 20 30 DEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1O ZINC000351413527 404578369 /nfs/dbraw/zinc/57/83/69/404578369.db2.gz LYEUDPLWQXWOHQ-YESZJQIVSA-N 0 3 311.385 2.002 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000330362685 404638016 /nfs/dbraw/zinc/63/80/16/404638016.db2.gz ZVRHEXMFJQVWFQ-RDBSUJKOSA-N 0 3 320.437 2.339 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC000357577731 404738483 /nfs/dbraw/zinc/73/84/83/404738483.db2.gz CHKVXSTZBBSYBA-UHFFFAOYSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnccc1C#N)C(C)C ZINC000358237688 404757386 /nfs/dbraw/zinc/75/73/86/404757386.db2.gz AHDBQHONKHJXMZ-KRWDZBQOSA-N 0 3 312.417 2.382 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCCC(C)(C)C#N)O1 ZINC000374687624 404710919 /nfs/dbraw/zinc/71/09/19/404710919.db2.gz SMQIILXIHVDCJP-XGUBFFRZSA-N 0 3 308.422 2.500 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000357020692 404724223 /nfs/dbraw/zinc/72/42/23/404724223.db2.gz GARQJSGVLLQEJO-LZLYRXPVSA-N 0 3 318.461 2.179 20 30 DEEDHN C#CCCS(=O)(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000377341988 404836202 /nfs/dbraw/zinc/83/62/02/404836202.db2.gz JHKAXDUSLZHUGR-UHFFFAOYSA-N 0 3 312.479 2.118 20 30 DEEDHN C=CCC[C@H](O)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366376226 404788220 /nfs/dbraw/zinc/78/82/20/404788220.db2.gz DMTNHURIELCRJF-SOUVJXGZSA-N 0 3 310.438 2.255 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415023463 404789613 /nfs/dbraw/zinc/78/96/13/404789613.db2.gz MXHMWQRYQJQLFI-NWDGAFQWSA-N 0 3 302.378 2.171 20 30 DEEDHN C[C@@H]1CCC[C@@]1(O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000359857987 404807086 /nfs/dbraw/zinc/80/70/86/404807086.db2.gz OXOXSLFQMMXLPL-QGPMSJSTSA-N 0 3 300.402 2.426 20 30 DEEDHN N#Cc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359916471 404809131 /nfs/dbraw/zinc/80/91/31/404809131.db2.gz HTNBZXZDZZOXMD-ZDUSSCGKSA-N 0 3 307.269 2.107 20 30 DEEDHN CC(C#N)C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC000360220308 404822888 /nfs/dbraw/zinc/82/28/88/404822888.db2.gz HNVQLGCFQYKATM-NSHDSACASA-N 0 3 304.419 2.330 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(-n2cccn2)cc1 ZINC000424131162 405017286 /nfs/dbraw/zinc/01/72/86/405017286.db2.gz VYYWWLUVZWWPFR-CZUORRHYSA-N 0 3 311.389 2.071 20 30 DEEDHN COc1ccc(C2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1 ZINC000424141261 405019902 /nfs/dbraw/zinc/01/99/02/405019902.db2.gz OQBPHYAMRBQXQR-QGZVFWFLSA-N 0 3 315.417 2.422 20 30 DEEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCN1CCCOCC1 ZINC000361318150 405020275 /nfs/dbraw/zinc/02/02/75/405020275.db2.gz IAUIEXNAUNSCAE-RTBURBONSA-N 0 3 313.445 2.480 20 30 DEEDHN CN(C)c1cccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424149884 405022757 /nfs/dbraw/zinc/02/27/57/405022757.db2.gz XTAYFFXCMVSHGK-DLBZAZTESA-N 0 3 314.433 2.437 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(N2CCCC2)c1 ZINC000424154001 405023812 /nfs/dbraw/zinc/02/38/12/405023812.db2.gz LYVGFGYORVPHIX-YOEHRIQHSA-N 0 3 314.433 2.485 20 30 DEEDHN C=CCn1cc(CNC2CCC(C(=O)OC(C)(C)C)CC2)nn1 ZINC000424172164 405028050 /nfs/dbraw/zinc/02/80/50/405028050.db2.gz NLBXHHOFOXDZSM-UHFFFAOYSA-N 0 3 320.437 2.454 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCN([C@@H](C)c3ccccc3)C2)nn1 ZINC000424168943 405028094 /nfs/dbraw/zinc/02/80/94/405028094.db2.gz GYTGBBGYPVCTPI-RDJZCZTQSA-N 0 3 311.433 2.389 20 30 DEEDHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H](N)CCCC#N ZINC000424170320 405028235 /nfs/dbraw/zinc/02/82/35/405028235.db2.gz KXFPMRPEVOSJLJ-PBHICJAKSA-N 0 3 315.417 2.252 20 30 DEEDHN CN(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424171051 405028592 /nfs/dbraw/zinc/02/85/92/405028592.db2.gz IRQVPSDHTXWELW-HUUCEWRRSA-N 0 3 322.840 2.080 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)c1cccc(C#N)c1Br ZINC000451764462 405029727 /nfs/dbraw/zinc/02/97/27/405029727.db2.gz SGRCYUCKDYSFRU-VIFPVBQESA-N 0 3 310.195 2.001 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(Br)cc1 ZINC000424071588 404995169 /nfs/dbraw/zinc/99/51/69/404995169.db2.gz VAHIQDGQQAVTAA-LBPRGKRZSA-N 0 3 310.195 2.086 20 30 DEEDHN CCN1C[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000408047631 405098988 /nfs/dbraw/zinc/09/89/88/405098988.db2.gz RJVKERCREOEMAE-HOTGVXAUSA-N 0 3 320.481 2.086 20 30 DEEDHN N#Cc1cccc(OCCN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000361420565 405067753 /nfs/dbraw/zinc/06/77/53/405067753.db2.gz BMZDHRODCZVYCW-GOSISDBHSA-N 0 3 316.401 2.207 20 30 DEEDHN N#Cc1cccc(OCCN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000361420566 405067826 /nfs/dbraw/zinc/06/78/26/405067826.db2.gz BMZDHRODCZVYCW-SFHVURJKSA-N 0 3 316.401 2.207 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000452013394 405127702 /nfs/dbraw/zinc/12/77/02/405127702.db2.gz IZHLSWANHPORHN-DAXOMENPSA-N 0 3 301.390 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC2(Cc3ccccc3)CCOCC2)C1=O ZINC000451942821 405103586 /nfs/dbraw/zinc/10/35/86/405103586.db2.gz GNCZTSDZKDNTED-KRWDZBQOSA-N 0 3 314.429 2.155 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000424482364 405104556 /nfs/dbraw/zinc/10/45/56/405104556.db2.gz TXOYZVYUBVFKCE-UAGQMJEPSA-N 0 3 317.433 2.139 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000424494456 405105813 /nfs/dbraw/zinc/10/58/13/405105813.db2.gz NLPJEVXMEWYZTQ-SJORKVTESA-N 0 3 302.418 2.346 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000452028117 405131532 /nfs/dbraw/zinc/13/15/32/405131532.db2.gz BSRLRDWSVYSWIB-KCYZZUKISA-N 0 3 309.454 2.367 20 30 DEEDHN COc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1OCCN(C)C ZINC000416331956 405108493 /nfs/dbraw/zinc/10/84/93/405108493.db2.gz DVJMANZHJUQKDD-YVEFUNNKSA-N 0 3 317.389 2.124 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000452028116 405131608 /nfs/dbraw/zinc/13/16/08/405131608.db2.gz BSRLRDWSVYSWIB-HWMZRRJGSA-N 0 3 309.454 2.367 20 30 DEEDHN C=CCN1CCC(NC(=O)c2coc(=O)c3ccccc23)CC1 ZINC000424656881 405140410 /nfs/dbraw/zinc/14/04/10/405140410.db2.gz YRYNVYGFNFCBOE-UHFFFAOYSA-N 0 3 312.369 2.173 20 30 DEEDHN Cc1cc(Br)cn2cc(CNC(=O)C(C)C#N)nc12 ZINC000354302231 405147650 /nfs/dbraw/zinc/14/76/50/405147650.db2.gz KATBKTSXEDVVRD-SECBINFHSA-N 0 3 321.178 2.181 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000424821249 405188130 /nfs/dbraw/zinc/18/81/30/405188130.db2.gz DVETUKURJOWVJJ-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN NC(=O)C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000367984391 405209746 /nfs/dbraw/zinc/20/97/46/405209746.db2.gz WTXGFQZBOKIYFM-CYBMUJFWSA-N 0 3 310.319 2.254 20 30 DEEDHN CC(C#N)C(=O)NCc1nc2cc(Br)ccc2o1 ZINC000425304429 405270279 /nfs/dbraw/zinc/27/02/79/405270279.db2.gz MSFVXWGFPADSCU-ZETCQYMHSA-N 0 3 308.135 2.366 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419937937 405273509 /nfs/dbraw/zinc/27/35/09/405273509.db2.gz WJMBLSFIJZODJZ-INIZCTEOSA-N 0 3 317.433 2.007 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000425356105 405279590 /nfs/dbraw/zinc/27/95/90/405279590.db2.gz VVCBUEJTIDLQAA-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN C[C@@H]1N(CC(=O)NC2(C#N)CCCCC2)CCC12CCOCC2 ZINC000368222737 405232183 /nfs/dbraw/zinc/23/21/83/405232183.db2.gz QYGBFCKTIYLWJJ-HNNXBMFYSA-N 0 3 319.449 2.220 20 30 DEEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453185176 405288279 /nfs/dbraw/zinc/28/82/79/405288279.db2.gz QQEZFFMBNROMLB-HZPDHXFCSA-N 0 3 322.836 2.322 20 30 DEEDHN CN(C)C1(CN(C)C(=O)c2ncc(C#N)cc2Cl)CCC1 ZINC000438599894 405251968 /nfs/dbraw/zinc/25/19/68/405251968.db2.gz RMVFQTJFVPTFKE-UHFFFAOYSA-N 0 3 306.797 2.163 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C#N)CCC1 ZINC000419486046 405252441 /nfs/dbraw/zinc/25/24/41/405252441.db2.gz GQPRTSKBPZQYKA-OAHLLOKOSA-N 0 3 314.433 2.500 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC(O)(C(F)F)CC2)c1 ZINC000426249408 405347479 /nfs/dbraw/zinc/34/74/79/405347479.db2.gz FNIWIAUHYBDYFH-UHFFFAOYSA-N 0 3 310.344 2.419 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000426372975 405355393 /nfs/dbraw/zinc/35/53/93/405355393.db2.gz SAXOUXJCUGCIKS-HOTGVXAUSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCCCC(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000426893780 405382387 /nfs/dbraw/zinc/38/23/87/405382387.db2.gz KGWORMYIHYQISE-HNNXBMFYSA-N 0 3 306.406 2.283 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000446600741 405386300 /nfs/dbraw/zinc/38/63/00/405386300.db2.gz SCCNNXOBYGXBIV-KGLIPLIRSA-N 0 3 308.385 2.432 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000448902921 405461587 /nfs/dbraw/zinc/46/15/87/405461587.db2.gz DKBJENIRCIFLBN-MSOLQXFVSA-N 0 3 316.445 2.476 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458719183 405556617 /nfs/dbraw/zinc/55/66/17/405556617.db2.gz ASNULYSURPHGAG-BQFCYCMXSA-N 0 3 321.465 2.095 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458723208 405558444 /nfs/dbraw/zinc/55/84/44/405558444.db2.gz DSPDGRIWHVJCNI-JYJNAYRXSA-N 0 3 309.454 2.092 20 30 DEEDHN CN1CCC[C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000556836723 405544815 /nfs/dbraw/zinc/54/48/15/405544815.db2.gz QTAHMJPMLKYRMK-CYBMUJFWSA-N 0 3 317.408 2.433 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000458755316 405572999 /nfs/dbraw/zinc/57/29/99/405572999.db2.gz DYUNLRWBILCRFW-KBXIAJHMSA-N 0 3 321.421 2.352 20 30 DEEDHN CN1CC=C(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000557273173 405590414 /nfs/dbraw/zinc/59/04/14/405590414.db2.gz PTFSPEWJLJFOOW-SFHVURJKSA-N 0 3 324.428 2.497 20 30 DEEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494227545 405665227 /nfs/dbraw/zinc/66/52/27/405665227.db2.gz PARVEQODBWNKJI-KLDLNZDOSA-N 0 3 321.465 2.463 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)[C@H]2CCCO2)C1 ZINC001422910583 1172921261 /nfs/dbraw/zinc/92/12/61/1172921261.db2.gz ZWLNILQJJPDGGX-NMFUWQPSSA-N 0 3 314.857 2.429 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC000457077444 405684350 /nfs/dbraw/zinc/68/43/50/405684350.db2.gz CPTCJTBTVQDEOF-GDBMZVCRSA-N 0 3 315.417 2.267 20 30 DEEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1CCN[C@H]1C(=O)OCC ZINC000423176178 405712387 /nfs/dbraw/zinc/71/23/87/405712387.db2.gz FOJKJXYQOYEVRA-BRWVUGGUSA-N 0 3 302.418 2.057 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NC1CCN(CCCOC)CC1 ZINC000432112564 405723066 /nfs/dbraw/zinc/72/30/66/405723066.db2.gz NBEKGOVVFALYAV-UHFFFAOYSA-N 0 3 311.470 2.389 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2ccc(C#N)s2)CC1 ZINC000528727364 405726223 /nfs/dbraw/zinc/72/62/23/405726223.db2.gz CVAGKOXLAFSLCJ-UHFFFAOYSA-N 0 3 305.447 2.306 20 30 DEEDHN C=CCC1(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CCCC1 ZINC000450239219 405793461 /nfs/dbraw/zinc/79/34/61/405793461.db2.gz YHDPMMNSWQZPDO-UHFFFAOYSA-N 0 3 317.433 2.485 20 30 DEEDHN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(C)C#N ZINC000494989467 405794643 /nfs/dbraw/zinc/79/46/43/405794643.db2.gz DXBMZBQWGDYNHA-STQMWFEESA-N 0 3 309.410 2.394 20 30 DEEDHN C=CCOc1ccc(CNC[C@H]2CCCC(=O)N2)cc1OC ZINC000433177396 405888456 /nfs/dbraw/zinc/88/84/56/405888456.db2.gz SGKIJNOUGIIZLK-CQSZACIVSA-N 0 3 304.390 2.018 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(Br)co2)CC1 ZINC000457539636 405890146 /nfs/dbraw/zinc/89/01/46/405890146.db2.gz HNOITGIHFMTZNJ-UHFFFAOYSA-N 0 3 313.195 2.422 20 30 DEEDHN C#CCCCN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495221455 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QSIMEAISAFWITD-MRXNPFEDSA-N 0 3 301.390 2.388 20 30 DEEDHN C[C@@H](CC#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194630091 225185260 /nfs/dbraw/zinc/18/52/60/225185260.db2.gz ZLPHRRAOECDVAT-ZFWWWQNUSA-N 0 3 303.381 2.456 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1 ZINC000195325634 225201250 /nfs/dbraw/zinc/20/12/50/225201250.db2.gz RALZRMWBAVMAPR-UHFFFAOYSA-N 0 3 300.406 2.193 20 30 DEEDHN N#CCCn1cc(CN[C@@H]2C=C[C@H](CO)C2)c(-c2ccccc2)n1 ZINC000268769556 225381259 /nfs/dbraw/zinc/38/12/59/225381259.db2.gz DKIPAJHOACDUIM-MAUKXSAKSA-N 0 3 322.412 2.490 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CSCC#N ZINC000267275094 225353301 /nfs/dbraw/zinc/35/33/01/225353301.db2.gz BBOAOHOZFFXZKW-ZBFHGGJFSA-N 0 3 317.458 2.270 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(CCC3)C2)cc1 ZINC000279973912 225491698 /nfs/dbraw/zinc/49/16/98/225491698.db2.gz HSQNIFGGZYPVPW-MRXNPFEDSA-N 0 3 309.369 2.022 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329181921 225845579 /nfs/dbraw/zinc/84/55/79/225845579.db2.gz NPIPSSGPPBQYDL-ARFHVFGLSA-N 0 3 311.385 2.336 20 30 DEEDHN CN(C)C[C@H]1CCCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330037591 225961101 /nfs/dbraw/zinc/96/11/01/225961101.db2.gz ZFUYXSJEIKOJLH-UYSNPLJNSA-N 0 3 321.465 2.464 20 30 DEEDHN N#CCCOCCN1CCC(Cc2ccccc2CO)CC1 ZINC000339206934 226184292 /nfs/dbraw/zinc/18/42/92/226184292.db2.gz XLBJOPRRSLNRSC-UHFFFAOYSA-N 0 3 302.418 2.364 20 30 DEEDHN Cc1ccccc1OC[C@@H](O)CNCc1ccc(C#N)s1 ZINC000572356443 292612644 /nfs/dbraw/zinc/61/26/44/292612644.db2.gz JMBAJPFHIRPAFC-ZDUSSCGKSA-N 0 3 302.399 2.458 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2cc(C#N)c[nH]2)c(F)c1 ZINC000413900472 228395495 /nfs/dbraw/zinc/39/54/95/228395495.db2.gz KRWHGOFWBMATKI-UHFFFAOYSA-N 0 3 316.336 2.218 20 30 DEEDHN N#Cc1ccc(NCc2ccc(OCCN3CCCC3)cc2)nn1 ZINC000611571948 422478042 /nfs/dbraw/zinc/47/80/42/422478042.db2.gz ZBBQCMUHOKHVHV-UHFFFAOYSA-N 0 3 323.400 2.435 20 30 DEEDHN C=CCNc1ncc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)s1 ZINC000622136911 422537186 /nfs/dbraw/zinc/53/71/86/422537186.db2.gz ZYFMRXWELOLJPY-LLVKDONJSA-N 0 3 308.451 2.344 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)nc(C)n1 ZINC000041561832 424809265 /nfs/dbraw/zinc/80/92/65/424809265.db2.gz NIRDRNKMLZCGHA-AWEZNQCLSA-N 0 3 320.352 2.468 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1csc(NC2CC2)n1 ZINC000330247829 424908782 /nfs/dbraw/zinc/90/87/82/424908782.db2.gz ZAGQMBGWFVMRAA-GFCCVEGCSA-N 0 3 308.451 2.896 20 30 DEEDHN CN(C)[C@@H](CNc1cc(C#N)ncn1)c1ccc(Cl)cc1 ZINC000569682791 424924679 /nfs/dbraw/zinc/92/46/79/424924679.db2.gz NPBTVGDMOUACQA-AWEZNQCLSA-N 0 3 301.781 2.716 20 30 DEEDHN C=CC[C@H](CC)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000374152218 424889270 /nfs/dbraw/zinc/88/92/70/424889270.db2.gz WJEOEZBYGLOINT-ZDUSSCGKSA-N 0 3 305.426 2.626 20 30 DEEDHN C=C[C@@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccccc1 ZINC000649369541 425002649 /nfs/dbraw/zinc/00/26/49/425002649.db2.gz BXXVCYSOCUFUPJ-JCGIZDLHSA-N 0 3 324.428 2.033 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](N)c2cccc(Cl)c2)CC1 ZINC000649323606 424992647 /nfs/dbraw/zinc/99/26/47/424992647.db2.gz GXZNOBNSYQRNPC-HNNXBMFYSA-N 0 3 307.825 2.106 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000651724896 425144789 /nfs/dbraw/zinc/14/47/89/425144789.db2.gz LEOJAEAETCLEMN-QLFBSQMISA-N 0 3 302.422 2.250 20 30 DEEDHN C=CCN(C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@@H](C)COC ZINC000663849627 425250549 /nfs/dbraw/zinc/25/05/49/425250549.db2.gz UEMPJBPTLKPYSX-CVEARBPZSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000664222513 425335462 /nfs/dbraw/zinc/33/54/62/425335462.db2.gz WEZIJIIKOOCTNH-INIZCTEOSA-N 0 3 324.513 2.304 20 30 DEEDHN OCC1([C@@H](NCC#Cc2ccc(F)cc2)C2CC2)CCOCC1 ZINC000661082505 425315478 /nfs/dbraw/zinc/31/54/78/425315478.db2.gz YXPRWKDHGRRSKZ-SFHVURJKSA-N 0 3 317.404 2.335 20 30 DEEDHN CCOC(=O)N1CCC([C@H](C)NCc2ccc(C#N)cn2)CC1 ZINC000496189545 267122970 /nfs/dbraw/zinc/12/29/70/267122970.db2.gz NDNJBLNPNZCRFI-ZDUSSCGKSA-N 0 3 316.405 2.300 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000661379279 425394158 /nfs/dbraw/zinc/39/41/58/425394158.db2.gz AOPWXHAJXORZJW-AWEZNQCLSA-N 0 3 316.401 2.320 20 30 DEEDHN C[C@H](Cn1cncn1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000657923657 425417797 /nfs/dbraw/zinc/41/77/97/425417797.db2.gz XNOWXNYKOAVCIY-GFCCVEGCSA-N 0 3 308.307 2.327 20 30 DEEDHN C=C(C)CCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665019073 425493004 /nfs/dbraw/zinc/49/30/04/425493004.db2.gz GOWURVRGJQEGJV-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCOCCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659373109 425588825 /nfs/dbraw/zinc/58/88/25/425588825.db2.gz QVAQSQYNYZMSJL-MRXNPFEDSA-N 0 3 304.390 2.269 20 30 DEEDHN C=CCOc1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000656273688 425749755 /nfs/dbraw/zinc/74/97/55/425749755.db2.gz NWLUKTXEDZPYMU-LSDHHAIUSA-N 0 3 322.836 2.156 20 30 DEEDHN C=CCC1(NC(=O)C[C@@H]2NCc3ccccc32)CCOCC1 ZINC000662873242 425753650 /nfs/dbraw/zinc/75/36/50/425753650.db2.gz IFNJODOCAKACNL-INIZCTEOSA-N 0 3 300.402 2.463 20 30 DEEDHN C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccc(C#N)cc1 ZINC000517559272 269387754 /nfs/dbraw/zinc/38/77/54/269387754.db2.gz ZSGZXZDMLZQXPM-RRQGHBQHSA-N 0 3 312.417 2.355 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000491633627 273478408 /nfs/dbraw/zinc/47/84/08/273478408.db2.gz URRHZFYOYKMEOW-IBGZPJMESA-N 0 3 321.424 2.397 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000452034878 273703260 /nfs/dbraw/zinc/70/32/60/273703260.db2.gz VCKXQEMDUPHQBM-HUUCEWRRSA-N 0 3 307.438 2.266 20 30 DEEDHN COc1cc(CN[C@H]2COc3ccccc3[C@H]2O)ccc1C#N ZINC000377400864 274094990 /nfs/dbraw/zinc/09/49/90/274094990.db2.gz HLVWTNOJXBMFSR-MAUKXSAKSA-N 0 3 310.353 2.151 20 30 DEEDHN CCN1CCN([C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000246271977 276386528 /nfs/dbraw/zinc/38/65/28/276386528.db2.gz BKNYTWVBMMXLFW-VQIMIIECSA-N 0 3 312.461 2.331 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)c3ncc(C#N)cc3Cl)C2)C1 ZINC000356311139 277071475 /nfs/dbraw/zinc/07/14/75/277071475.db2.gz JFVBGNRZLRLZBR-MRXNPFEDSA-N 0 3 318.808 2.165 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000356530535 277770435 /nfs/dbraw/zinc/77/04/35/277770435.db2.gz QGKNCCGTUFWGSD-HUUCEWRRSA-N 0 3 322.449 2.075 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@](C)(O)C1CCC1)C(C)C ZINC000362768336 277849179 /nfs/dbraw/zinc/84/91/79/277849179.db2.gz DEPPYZWMMIMJMK-FUHWJXTLSA-N 0 3 308.466 2.352 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000278592457 277920890 /nfs/dbraw/zinc/92/08/90/277920890.db2.gz KOJBAILGVSFDTQ-AEFFLSMTSA-N 0 3 302.418 2.267 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)CN1 ZINC000415557848 278663925 /nfs/dbraw/zinc/66/39/25/278663925.db2.gz DMRRXSVCGOJXSA-NEPJUHHUSA-N 0 3 303.410 2.329 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000365845021 279172217 /nfs/dbraw/zinc/17/22/17/279172217.db2.gz BMDJLYPXSBRMPO-BBWFWOEESA-N 0 3 321.465 2.154 20 30 DEEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)NCCF ZINC000337530380 279534604 /nfs/dbraw/zinc/53/46/04/279534604.db2.gz CPOOGSJIAGDJGY-LRDDRELGSA-N 0 3 303.381 2.390 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CCC)c2C)[C@H]1C ZINC001088940363 782063047 /nfs/dbraw/zinc/06/30/47/782063047.db2.gz QHIIHDRQSNKYHN-ZBFHGGJFSA-N 0 3 304.438 2.370 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)CN1C1CC1 ZINC000329731489 297320817 /nfs/dbraw/zinc/32/08/17/297320817.db2.gz GRZXVYHCGCTIPJ-RKHKHNFPSA-N 0 3 307.438 2.073 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(CCC)nc2C)[C@H]1C ZINC001088940848 782064834 /nfs/dbraw/zinc/06/48/34/782064834.db2.gz SVNLECYJJJFNKN-ZBFHGGJFSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001349522094 1151257443 /nfs/dbraw/zinc/25/74/43/1151257443.db2.gz NRJAZNJDAKTZTM-AEFFLSMTSA-N 0 3 317.433 2.151 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C)c2C(F)F)[C@H]1C ZINC001088972284 782089773 /nfs/dbraw/zinc/08/97/73/782089773.db2.gz ZQBURTFFPOWYQE-PWSUYJOCSA-N 0 3 312.364 2.126 20 30 DEEDHN CN(C)CCONC(=O)c1cn(CCCC#N)c2ccccc12 ZINC001328304700 1148770380 /nfs/dbraw/zinc/77/03/80/1148770380.db2.gz XNWCLWBWGQENJT-UHFFFAOYSA-N 0 3 314.389 2.168 20 30 DEEDHN CC(C)[C@H](CNc1ccnc(C#N)n1)N1CCc2ccccc2C1 ZINC000574926770 326202501 /nfs/dbraw/zinc/20/25/01/326202501.db2.gz MSPBALOUVMYLLP-KRWDZBQOSA-N 0 3 321.428 2.265 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000570563973 332773701 /nfs/dbraw/zinc/77/37/01/332773701.db2.gz BHMINKWJRYZMBE-CYBMUJFWSA-N 0 3 317.389 2.465 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000255436509 331741121 /nfs/dbraw/zinc/74/11/21/331741121.db2.gz DLPCSBKWMCDRRN-XQRVVYSFSA-N 0 3 314.385 2.195 20 30 DEEDHN N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569420043 332079337 /nfs/dbraw/zinc/07/93/37/332079337.db2.gz LMRQJWWWEOOHAE-ROUUACIJSA-N 0 3 311.429 2.456 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 ZINC000580329021 333198518 /nfs/dbraw/zinc/19/85/18/333198518.db2.gz WCWAVOPQKSKULZ-HNNXBMFYSA-N 0 3 316.405 2.465 20 30 DEEDHN Cc1cc(NC(=O)c2cccc(CN(C)C)c2)n(CCC#N)n1 ZINC000531284931 333340228 /nfs/dbraw/zinc/34/02/28/333340228.db2.gz RBLFUAPQUAETOM-UHFFFAOYSA-N 0 3 311.389 2.419 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCCC[C@H]1C ZINC000344090317 335217100 /nfs/dbraw/zinc/21/71/00/335217100.db2.gz BSAIBVXHEJKMGF-KGLIPLIRSA-N 0 3 310.417 2.287 20 30 DEEDHN CCN(C[C@@H](C)O)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000352195457 336200828 /nfs/dbraw/zinc/20/08/28/336200828.db2.gz QYIASUQEMDDXAF-DGNOSDGRSA-N 0 3 309.454 2.008 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)[C@H]1C ZINC001088995964 782104898 /nfs/dbraw/zinc/10/48/98/782104898.db2.gz UDRYPDSDGLKIIY-OAGGEKHMSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2F)C1 ZINC001098769984 782097299 /nfs/dbraw/zinc/09/72/99/782097299.db2.gz VKJHTFVQAVQOGO-GUYCJALGSA-N 0 3 303.381 2.381 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000563977103 336389355 /nfs/dbraw/zinc/38/93/55/336389355.db2.gz ZVCBWAJWPOOHOO-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN CC[C@@H](CC#N)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000354793759 336482579 /nfs/dbraw/zinc/48/25/79/336482579.db2.gz SSVFLMRZPZTUNA-ZDUSSCGKSA-N 0 3 318.425 2.272 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000179218958 337168205 /nfs/dbraw/zinc/16/82/05/337168205.db2.gz CLZFTAWCVDUQCF-LBPRGKRZSA-N 0 3 320.437 2.345 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734731 337171370 /nfs/dbraw/zinc/17/13/70/337171370.db2.gz WGPKYOJQCZKFDH-SJCJKPOMSA-N 0 3 316.401 2.189 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000582886551 337215151 /nfs/dbraw/zinc/21/51/51/337215151.db2.gz CXADSEJYFIRPOW-LVNYTYFRSA-N 0 3 301.434 2.305 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185585805 337249266 /nfs/dbraw/zinc/24/92/66/337249266.db2.gz UBYWEVMGRQINAR-GOEBONIOSA-N 0 3 300.402 2.341 20 30 DEEDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000584566198 337362398 /nfs/dbraw/zinc/36/23/98/337362398.db2.gz GUDNCZITKXCNOI-IIDMSEBBSA-N 0 3 314.433 2.027 20 30 DEEDHN CN(C)[C@H](CNc1ncncc1C#N)c1ccc(Cl)cc1 ZINC000583868687 337363301 /nfs/dbraw/zinc/36/33/01/337363301.db2.gz HVXIGBKPJCWMSC-CQSZACIVSA-N 0 3 301.781 2.138 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000580419272 337672173 /nfs/dbraw/zinc/67/21/73/337672173.db2.gz YYZWPZPXLKTCOK-KSSFIOAISA-N 0 3 317.408 2.370 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000515314036 337984756 /nfs/dbraw/zinc/98/47/56/337984756.db2.gz MQCJUFVXIKNDMZ-SMDDNHRTSA-N 0 3 308.813 2.402 20 30 DEEDHN COC(=O)N1CCC([C@H](C)NCC#Cc2ccccc2)CC1 ZINC000496006842 339996425 /nfs/dbraw/zinc/99/64/25/339996425.db2.gz XCCBAKXATJOKCH-HNNXBMFYSA-N 0 3 300.402 2.495 20 30 DEEDHN O=C(OCc1ccccc1)N1CCC(C=Nn2cnnc2)CC1 ZINC000496234868 340001114 /nfs/dbraw/zinc/00/11/14/340001114.db2.gz DJXZEOMPFVZLGT-UHFFFAOYSA-N 0 3 313.361 2.161 20 30 DEEDHN C[C@@H](C#N)OCCN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496758289 340012143 /nfs/dbraw/zinc/01/21/43/340012143.db2.gz NLTOUKNZHOTSHL-YOEHRIQHSA-N 0 3 323.437 2.248 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000497081537 340019824 /nfs/dbraw/zinc/01/98/24/340019824.db2.gz NEGWBVNOWIRPMQ-FRRDWIJNSA-N 0 3 307.394 2.004 20 30 DEEDHN C=C(C)COCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000499588437 340040032 /nfs/dbraw/zinc/04/00/32/340040032.db2.gz HJPKJCLIOSIHCR-UHFFFAOYSA-N 0 3 311.470 2.487 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc2sccc2c1 ZINC000517025760 340461908 /nfs/dbraw/zinc/46/19/08/340461908.db2.gz JAMYVGMHGOKHLZ-HNNXBMFYSA-N 0 3 303.431 2.197 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cc(C)c(Cl)cn2)CC1 ZINC000528450504 340719708 /nfs/dbraw/zinc/71/97/08/340719708.db2.gz UDZRNHVRZIIJPP-UHFFFAOYSA-N 0 3 307.825 2.353 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000528451296 340719748 /nfs/dbraw/zinc/71/97/48/340719748.db2.gz WXOJZKZFSBQSGU-INIZCTEOSA-N 0 3 306.381 2.280 20 30 DEEDHN CC[C@H](C)CN(CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000245989414 341321292 /nfs/dbraw/zinc/32/12/92/341321292.db2.gz HTPXWFOAQRRPBZ-DLBZAZTESA-N 0 3 322.497 2.047 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC2(CCO2)CC1 ZINC000564739750 341508064 /nfs/dbraw/zinc/50/80/64/341508064.db2.gz CHVKAZACJGXSGO-KRWDZBQOSA-N 0 3 317.429 2.410 20 30 DEEDHN CCSc1cccc(CNC[C@@H](O)CN(C)CCC#N)c1 ZINC000564859550 341511708 /nfs/dbraw/zinc/51/17/08/341511708.db2.gz GHWWHVLPSSTARX-OAHLLOKOSA-N 0 3 307.463 2.095 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@](C)(CC)C1=O)C(C)C ZINC000349239482 341967048 /nfs/dbraw/zinc/96/70/48/341967048.db2.gz XTXFMLOZSOPRCF-RHSMWYFYSA-N 0 3 307.438 2.406 20 30 DEEDHN CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1ccccc1F ZINC001378230594 1152237452 /nfs/dbraw/zinc/23/74/52/1152237452.db2.gz IOSZWHCPUKODOJ-AWEZNQCLSA-N 0 3 314.364 2.324 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2n[nH]c3c2CCCCC3)[C@H]1C ZINC001089040215 782130251 /nfs/dbraw/zinc/13/02/51/782130251.db2.gz GPMPUGSVVPMIER-HIFRSBDPSA-N 0 3 316.449 2.447 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC001357546168 1152310676 /nfs/dbraw/zinc/31/06/76/1152310676.db2.gz PVUPZIDAJCFUFB-HZPDHXFCSA-N 0 3 321.465 2.110 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCCO2)CCCCC1 ZINC001378392441 1152314816 /nfs/dbraw/zinc/31/48/16/1152314816.db2.gz BFTQBDBKWAPFSB-CYBMUJFWSA-N 0 3 300.830 2.327 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC001378419607 1152322892 /nfs/dbraw/zinc/32/28/92/1152322892.db2.gz YJXKKCCHARTXSE-HOCLYGCPSA-N 0 3 313.873 2.098 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H]1CC(C)(C)CO1 ZINC001329924956 1149017436 /nfs/dbraw/zinc/01/74/36/1149017436.db2.gz YMKDDXNDOUVRFG-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2cccc(OCC)n2)C1 ZINC001330014304 1149034235 /nfs/dbraw/zinc/03/42/35/1149034235.db2.gz WRDHNGQUWVIVJH-AWEZNQCLSA-N 0 3 317.433 2.035 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2COc3ccccc32)[C@H]1C ZINC001089075492 782152257 /nfs/dbraw/zinc/15/22/57/782152257.db2.gz HFVMGROADBEKOT-KBMXLJTQSA-N 0 3 300.402 2.318 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001330060870 1149043934 /nfs/dbraw/zinc/04/39/34/1149043934.db2.gz NHMNSIHQLYPCPU-RRQGHBQHSA-N 0 3 306.450 2.062 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)COc2cc(C)ccc2C)C1 ZINC001330073876 1149046270 /nfs/dbraw/zinc/04/62/70/1149046270.db2.gz HNWWNYNNPOYMLS-INIZCTEOSA-N 0 3 314.429 2.142 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCCO[C@@H]1CCCCO1 ZINC000597675706 501029358 /nfs/dbraw/zinc/02/93/58/501029358.db2.gz FANMLTCOTFSSML-IAGOWNOFSA-N 0 3 316.401 2.418 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)n2cccn2)CCCC1 ZINC001378694389 1152417007 /nfs/dbraw/zinc/41/70/07/1152417007.db2.gz ZPGHDWGIXUWVTM-CYBMUJFWSA-N 0 3 310.829 2.215 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CCOCC2CC2)CC1(C)C ZINC001330190980 1149066027 /nfs/dbraw/zinc/06/60/27/1149066027.db2.gz IJYRYDHANUYUHS-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@H]1CC12CC2 ZINC001401239167 1161901347 /nfs/dbraw/zinc/90/13/47/1161901347.db2.gz BXFZNBZAXJXYOW-SMDDNHRTSA-N 0 3 303.431 2.356 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001441346874 1181951293 /nfs/dbraw/zinc/95/12/93/1181951293.db2.gz JCVOHSCWIMNOOJ-UMSPYCQHSA-N 0 3 312.211 2.021 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000443677422 533930155 /nfs/dbraw/zinc/93/01/55/533930155.db2.gz ZBGLOGYYDGEFMY-STQMWFEESA-N 0 3 321.446 2.239 20 30 DEEDHN C[C@@H]1C[C@H](c2cccnc2)N(CCC(=O)N(C)CCC#N)C1 ZINC000376556342 534004114 /nfs/dbraw/zinc/00/41/14/534004114.db2.gz YQTDVYRMKWODKJ-GDBMZVCRSA-N 0 3 300.406 2.227 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001330360932 1149099209 /nfs/dbraw/zinc/09/92/09/1149099209.db2.gz VBZWJFDGAVARMY-FPCVCCKLSA-N 0 3 300.402 2.091 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CC(C)(C)c3ccccc3)[C@@H]2C1 ZINC001330366576 1149100072 /nfs/dbraw/zinc/10/00/72/1149100072.db2.gz SVNYPFGPTAHUCR-NNZMDNLPSA-N 0 3 310.441 2.282 20 30 DEEDHN C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)CN1 ZINC000417915530 534331114 /nfs/dbraw/zinc/33/11/14/534331114.db2.gz MDVUZMOAWDUTCU-FMKPAKJESA-N 0 3 300.406 2.423 20 30 DEEDHN CC(=O)N[C@@H](C)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000360311812 534537422 /nfs/dbraw/zinc/53/74/22/534537422.db2.gz XADVOOJYYDRQQI-AWEZNQCLSA-N 0 3 315.417 2.174 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000451595611 534607904 /nfs/dbraw/zinc/60/79/04/534607904.db2.gz DMXYLBUPRLFPRB-UAGQMJEPSA-N 0 3 302.418 2.414 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000451599931 534607944 /nfs/dbraw/zinc/60/79/44/534607944.db2.gz PVBRYSMJQQIAQK-MAZHCROVSA-N 0 3 306.381 2.278 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000451604464 534611339 /nfs/dbraw/zinc/61/13/39/534611339.db2.gz HBARKQQVOHQGQZ-ILXRZTDVSA-N 0 3 306.793 2.378 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000338155253 525539426 /nfs/dbraw/zinc/53/94/26/525539426.db2.gz UVPCECKZGYXRTL-CQSZACIVSA-N 0 3 315.417 2.097 20 30 DEEDHN C=CCN(CCOC)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338360235 526300719 /nfs/dbraw/zinc/30/07/19/526300719.db2.gz PKRIKTZPTOJHSL-INIZCTEOSA-N 0 3 302.418 2.283 20 30 DEEDHN CC#CCCN(CC)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292994547 526306040 /nfs/dbraw/zinc/30/60/40/526306040.db2.gz OITWMFAZHVSNBG-GOSISDBHSA-N 0 3 319.445 2.351 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000447957427 526429786 /nfs/dbraw/zinc/42/97/86/526429786.db2.gz ZVTMLDOGMSMDAR-HNNXBMFYSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(F)ccc(OC)c2OC)CC1 ZINC000191831947 526446454 /nfs/dbraw/zinc/44/64/54/526446454.db2.gz JBAZHOMIWZYYPO-UHFFFAOYSA-N 0 3 322.380 2.223 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000294586249 526448407 /nfs/dbraw/zinc/44/84/07/526448407.db2.gz LBTNKDMKAXUWCB-UHFFFAOYSA-N 0 3 324.327 2.388 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000413248608 526590525 /nfs/dbraw/zinc/59/05/25/526590525.db2.gz XMECRHRIOYKGNH-KFWWJZLASA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2oc(CC)nc2C)CC1 ZINC000292443559 526592445 /nfs/dbraw/zinc/59/24/45/526592445.db2.gz YMDZEEWARTUDAO-UHFFFAOYSA-N 0 3 320.437 2.385 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000237772773 526619101 /nfs/dbraw/zinc/61/91/01/526619101.db2.gz PBZBWKYDEHMSRC-QGZVFWFLSA-N 0 3 316.405 2.465 20 30 DEEDHN N#Cc1ccc(N2CCN(C[C@@H]3CCCOC3)CC2)c(F)c1 ZINC000336857115 526645231 /nfs/dbraw/zinc/64/52/31/526645231.db2.gz QJNGHGDRTRVYQL-HNNXBMFYSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C(C)COc1cc(CN[C@H](CO)[C@@H]2CCCO2)ccc1OC ZINC000447966943 526663224 /nfs/dbraw/zinc/66/32/24/526663224.db2.gz LTGJYYDYDZGLCL-CVEARBPZSA-N 0 3 321.417 2.280 20 30 DEEDHN C=C(C)CS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000435421149 526677006 /nfs/dbraw/zinc/67/70/06/526677006.db2.gz IAUMYHJACKKZRO-KFWWJZLASA-N 0 3 300.468 2.230 20 30 DEEDHN CN(Cc1ccc(Cl)cc1C#N)C1CCN(CCO)CC1 ZINC000360062229 536468153 /nfs/dbraw/zinc/46/81/53/536468153.db2.gz FLTXYTAVPHXRAH-UHFFFAOYSA-N 0 3 307.825 2.100 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000294634125 526739352 /nfs/dbraw/zinc/73/93/52/526739352.db2.gz QBUCKZSKLOHYQM-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000376921414 526779468 /nfs/dbraw/zinc/77/94/68/526779468.db2.gz VAHODMHMGIAZJK-DOTOQJQBSA-N 0 3 317.433 2.151 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000437779969 526799006 /nfs/dbraw/zinc/79/90/06/526799006.db2.gz VENWTLXCHJWMCG-PMPSAXMXSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCCN(CC)CC2)cc1OC ZINC000299654914 526837419 /nfs/dbraw/zinc/83/74/19/526837419.db2.gz UDMXVYXBCJOIKY-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C=C(CC)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000341378993 526851486 /nfs/dbraw/zinc/85/14/86/526851486.db2.gz SXNBREMGQSHVOD-GOSISDBHSA-N 0 3 313.401 2.149 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2NCCOC)CC1 ZINC000191217930 526933007 /nfs/dbraw/zinc/93/30/07/526933007.db2.gz KFNCPAYHCCCRDX-UHFFFAOYSA-N 0 3 315.417 2.029 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417587230 526939641 /nfs/dbraw/zinc/93/96/41/526939641.db2.gz BNLOIBGMYZLLOA-KBPBESRZSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417593928 526941148 /nfs/dbraw/zinc/94/11/48/526941148.db2.gz HZDFECWMKDQQOM-KGLIPLIRSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000341422149 526967215 /nfs/dbraw/zinc/96/72/15/526967215.db2.gz SAIKVAAZUXTAGD-HUUCEWRRSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000369618162 527018167 /nfs/dbraw/zinc/01/81/67/527018167.db2.gz BJMJEHWWMLSABV-WBVHZDCISA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000295907507 527078850 /nfs/dbraw/zinc/07/88/50/527078850.db2.gz QXLMHSWVDLPHPF-DLBZAZTESA-N 0 3 314.429 2.148 20 30 DEEDHN C=CC[C@@H]1N(CCN2CCCS2(=O)=O)CCCC1(C)C ZINC000444792226 527119701 /nfs/dbraw/zinc/11/97/01/527119701.db2.gz OPZCXGUDAXVAPG-AWEZNQCLSA-N 0 3 300.468 2.089 20 30 DEEDHN C=CC[C@H](CO)CNc1ccnc2cc(OC)c(OC)cc21 ZINC000413219610 527164395 /nfs/dbraw/zinc/16/43/95/527164395.db2.gz DSMMQYYOBFWVRN-LBPRGKRZSA-N 0 3 302.374 2.270 20 30 DEEDHN C=CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC000337874753 527306137 /nfs/dbraw/zinc/30/61/37/527306137.db2.gz XUYGXNQEYLERQC-UHFFFAOYSA-N 0 3 301.438 2.406 20 30 DEEDHN C=CCCOCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000122357074 527348663 /nfs/dbraw/zinc/34/86/63/527348663.db2.gz PRIIEZWUJUWXJX-MRXNPFEDSA-N 0 3 309.454 2.239 20 30 DEEDHN CC(C)(C#N)CCCCN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000444684450 527460571 /nfs/dbraw/zinc/46/05/71/527460571.db2.gz JXYCDYWUWXLFMF-INIZCTEOSA-N 0 3 321.465 2.058 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000444623499 528934118 /nfs/dbraw/zinc/93/41/18/528934118.db2.gz TYJMELXVDDDJFD-UHFFFAOYSA-N 0 3 314.433 2.208 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@@H](CC)OC)C(C)C ZINC001378954460 1152504390 /nfs/dbraw/zinc/50/43/90/1152504390.db2.gz QGHQXHXMXUCTTG-NWDGAFQWSA-N 0 3 321.259 2.050 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1ccnc(C)n1)C(C)C ZINC001378964818 1152509341 /nfs/dbraw/zinc/50/93/41/1152509341.db2.gz GOHLZTXHLPGBKG-OAHLLOKOSA-N 0 3 324.856 2.201 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000835062943 649874384 /nfs/dbraw/zinc/87/43/84/649874384.db2.gz GTVSNCVTQPOBSL-CYBMUJFWSA-N 0 3 317.345 2.478 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@](CO)(NCCC(F)(F)F)C1 ZINC001327590729 1148593110 /nfs/dbraw/zinc/59/31/10/1148593110.db2.gz HZEVUAYHFAVIQP-AWEZNQCLSA-N 0 3 322.371 2.238 20 30 DEEDHN C=CCCCC(=O)NC1(CNCc2cncs2)CCOCC1 ZINC001327656819 1148611500 /nfs/dbraw/zinc/61/15/00/1148611500.db2.gz QTKUNPAJLCVVKP-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(OC)nc2)C1 ZINC001327869752 1148664236 /nfs/dbraw/zinc/66/42/36/1148664236.db2.gz YKVUJKSTTADKHT-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001379350383 1152613252 /nfs/dbraw/zinc/61/32/52/1152613252.db2.gz VEUFLRSOKBGRQD-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)CC(F)F)C[C@]2(C)C1 ZINC001330528478 1149181007 /nfs/dbraw/zinc/18/10/07/1149181007.db2.gz IBKMLJSVALUYCM-XYPHTWIQSA-N 0 3 312.404 2.471 20 30 DEEDHN N#CCCCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737687565 598766857 /nfs/dbraw/zinc/76/68/57/598766857.db2.gz JRCSKLYEJHWTBW-UHFFFAOYSA-N 0 3 312.377 2.014 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CCCn2ccnc2C)C1 ZINC001379588292 1152647429 /nfs/dbraw/zinc/64/74/29/1152647429.db2.gz SNVMXZKGZFTEJD-HIFRSBDPSA-N 0 3 324.856 2.303 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001379617453 1152654165 /nfs/dbraw/zinc/65/41/65/1152654165.db2.gz FFTJXMRLAYFLHZ-IIAWOOMASA-N 0 3 313.873 2.192 20 30 DEEDHN Cc1cccc(C)c1OCCN(C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001379640974 1152661263 /nfs/dbraw/zinc/66/12/63/1152661263.db2.gz NJPVTGPZYHEPRL-HZPDHXFCSA-N 0 3 317.433 2.278 20 30 DEEDHN CC[C@H](OC)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998711447 634384535 /nfs/dbraw/zinc/38/45/35/634384535.db2.gz PCBLIWUAHCLMFH-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN COc1ccc(CN(C)C[C@H](C)NC(=O)[C@H](C)C#N)cc1C ZINC001379648082 1152663852 /nfs/dbraw/zinc/66/38/52/1152663852.db2.gz ZVKABPNKUTUVFU-KGLIPLIRSA-N 0 3 303.406 2.100 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819733781 606746581 /nfs/dbraw/zinc/74/65/81/606746581.db2.gz BHDWJYCAIWYXJR-MRXNPFEDSA-N 0 3 313.405 2.158 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 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C=CCN(C)[C@H]1CCN(C(=O)c2noc3c2C[C@H](C)CC3)C1 ZINC000972649971 625405987 /nfs/dbraw/zinc/40/59/87/625405987.db2.gz GWZMGXNSVRWLQZ-OLZOCXBDSA-N 0 3 303.406 2.132 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)nsc2C)C1 ZINC001023769313 625430583 /nfs/dbraw/zinc/43/05/83/625430583.db2.gz ZDROHDMJTBLGOT-CQSZACIVSA-N 0 3 305.447 2.225 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3n(c2)CCCC3)C1 ZINC001023787961 625439804 /nfs/dbraw/zinc/43/98/04/625439804.db2.gz UDXLPZORLABYIE-MRXNPFEDSA-N 0 3 313.445 2.290 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000930861802 625448876 /nfs/dbraw/zinc/44/88/76/625448876.db2.gz GIKYIJSKMQUTBF-UHFFFAOYSA-N 0 3 318.377 2.288 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001025467048 625459972 /nfs/dbraw/zinc/45/99/72/625459972.db2.gz WRIAQSZIFVGKEN-CABCVRRESA-N 0 3 316.449 2.387 20 30 DEEDHN Cc1nc(CNC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)sc1C ZINC001023893304 625471766 /nfs/dbraw/zinc/47/17/66/625471766.db2.gz 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C#CCCN1CC([C@@H](C)NC(=O)c2nsc3ccccc32)C1 ZINC000969733742 622899293 /nfs/dbraw/zinc/89/92/93/622899293.db2.gz LRUQBIRNZHYFNF-GFCCVEGCSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cnc(C)s3)C2)C1 ZINC000969878791 622971164 /nfs/dbraw/zinc/97/11/64/622971164.db2.gz PKXLVAYYOBSODJ-CYBMUJFWSA-N 0 3 305.447 2.498 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cn(C)c3ccccc23)C1 ZINC000970078346 623099304 /nfs/dbraw/zinc/09/93/04/623099304.db2.gz GUMZEAXJXGGKHP-AWEZNQCLSA-N 0 3 309.413 2.252 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@H](CNCc3cnns3)C2)C1 ZINC001024146621 625629068 /nfs/dbraw/zinc/62/90/68/625629068.db2.gz ZMSKCJFXYSOZLQ-CYBMUJFWSA-N 0 3 320.462 2.223 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sccc2OC)C1 ZINC001020959308 623211605 /nfs/dbraw/zinc/21/16/05/623211605.db2.gz MYHMTGRTEQULJB-MGCOHNPYSA-N 0 3 300.811 2.360 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC000969049227 623263420 /nfs/dbraw/zinc/26/34/20/623263420.db2.gz IKPGZNSAIOWHSP-HNNXBMFYSA-N 0 3 315.417 2.093 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccnc3ccncc32)C1 ZINC000970217231 623335571 /nfs/dbraw/zinc/33/55/71/623335571.db2.gz NUDCQDIXCLKONX-CYBMUJFWSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC000970218820 623343369 /nfs/dbraw/zinc/34/33/69/623343369.db2.gz AZOFHZLAIYIZAN-LBPRGKRZSA-N 0 3 322.840 2.191 20 30 DEEDHN C=C(Cl)CN1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC000970407952 623444180 /nfs/dbraw/zinc/44/41/80/623444180.db2.gz SOMNFKKAMZZSPO-AAEUAGOBSA-N 0 3 322.840 2.019 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)n(C)c2C)C1 ZINC001025615909 625651923 /nfs/dbraw/zinc/65/19/23/625651923.db2.gz XLWKJGAKFBDRFQ-HOCLYGCPSA-N 0 3 301.434 2.105 20 30 DEEDHN COc1ccc(CN[C@@H]2CCN(C(=O)C(C)(C)C)C2)cc1C#N ZINC000970546100 623533440 /nfs/dbraw/zinc/53/34/40/623533440.db2.gz HWFGHKHPYJCOSX-OAHLLOKOSA-N 0 3 315.417 2.303 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(COC)cc2)C1 ZINC001025619288 625659717 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C=C(Cl)CNC1CC(N(C)C(=O)c2ccnn2C(C)C)C1 ZINC000998822344 634416229 /nfs/dbraw/zinc/41/62/29/634416229.db2.gz HDFZIZVLBBFCMF-UHFFFAOYSA-N 0 3 310.829 2.409 20 30 DEEDHN C#C[C@H]1CCCCN1CCCON1C(=O)c2ccccc2C1=O ZINC000934514987 624901768 /nfs/dbraw/zinc/90/17/68/624901768.db2.gz DHUZHSKSRQKHIC-AWEZNQCLSA-N 0 3 312.369 2.092 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001022766796 624905270 /nfs/dbraw/zinc/90/52/70/624905270.db2.gz HJERFEUBLBFCFO-BETUJISGSA-N 0 3 316.792 2.233 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000972297630 624919228 /nfs/dbraw/zinc/91/92/28/624919228.db2.gz TXADYXKAQOKSIL-INIZCTEOSA-N 0 3 315.392 2.341 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001022827977 624941869 /nfs/dbraw/zinc/94/18/69/624941869.db2.gz PUTSLKSUCZFTPH-XGUBFFRZSA-N 0 3 312.841 2.347 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC001027670641 634422280 /nfs/dbraw/zinc/42/22/80/634422280.db2.gz 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/nfs/dbraw/zinc/08/66/29/625086629.db2.gz GLURHMUSZMSPTH-AWEZNQCLSA-N 0 3 304.438 2.359 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCCCN2C(=O)[C@@H](C)C#N)s1 ZINC001024898875 625100386 /nfs/dbraw/zinc/10/03/86/625100386.db2.gz NHZUKLPMQGTUSH-WCQYABFASA-N 0 3 306.435 2.082 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001024902709 625102109 /nfs/dbraw/zinc/10/21/09/625102109.db2.gz YIYOIQDEMVDQNP-GXTWGEPZSA-N 0 3 320.824 2.365 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3scnc3C(C)C)[C@@H]2C1 ZINC000978832333 634434680 /nfs/dbraw/zinc/43/46/80/634434680.db2.gz MXKQMCUMSGILCM-ZSOGYDGISA-N 0 3 317.458 2.197 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC001023040076 625141974 /nfs/dbraw/zinc/14/19/74/625141974.db2.gz FBVFMDRZIIGEDA-BETUJISGSA-N 0 3 320.824 2.265 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001025037643 625154460 /nfs/dbraw/zinc/15/44/60/625154460.db2.gz JKBYCHMQQKOCBK-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN CC(C)=CCN1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973007527 625163524 /nfs/dbraw/zinc/16/35/24/625163524.db2.gz YWOMLVGTKAQDLI-HNNXBMFYSA-N 0 3 300.406 2.293 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)C[C@H]1C ZINC000947546028 625191344 /nfs/dbraw/zinc/19/13/44/625191344.db2.gz ADNLYBKRYJNCMG-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN CC[C@H](F)CN1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296433 625215825 /nfs/dbraw/zinc/21/58/25/625215825.db2.gz XDFGQYFFCPFUHW-JSGCOSHPSA-N 0 3 306.385 2.076 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001025197745 625259395 /nfs/dbraw/zinc/25/93/95/625259395.db2.gz KOPFYIAHDMDEGP-ZWKOTPCHSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ccncc3s2)C1 ZINC001023414792 625260095 /nfs/dbraw/zinc/26/00/95/625260095.db2.gz AYFMTCVBNXUFAC-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3ccncc3s2)C1 ZINC001023414793 625260575 /nfs/dbraw/zinc/26/05/75/625260575.db2.gz AYFMTCVBNXUFAC-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025212027 625268362 /nfs/dbraw/zinc/26/83/62/625268362.db2.gz GYFJXDNRYMCCGA-CVEARBPZSA-N 0 3 318.461 2.470 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(F)nc1 ZINC001025207184 625269578 /nfs/dbraw/zinc/26/95/78/625269578.db2.gz FSHQVSBBGXEAGT-JKSUJKDBSA-N 0 3 315.392 2.313 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001023443445 625270142 /nfs/dbraw/zinc/27/01/42/625270142.db2.gz MNROWSNKKFAEDV-CYBMUJFWSA-N 0 3 306.356 2.348 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001007731104 625769950 /nfs/dbraw/zinc/76/99/50/625769950.db2.gz KCWHSWHOJJNOCA-OAHLLOKOSA-N 0 3 304.438 2.408 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001024445513 625770002 /nfs/dbraw/zinc/77/00/02/625770002.db2.gz OIWDHJUEQYXRBF-BZSNNMDCSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001024437967 625774345 /nfs/dbraw/zinc/77/43/45/625774345.db2.gz CEILPDBJSDHIED-QGZVFWFLSA-N 0 3 314.433 2.216 20 30 DEEDHN C=C[C@@H](C(=O)N1CC[C@H](NCc2cnn(C)c2)C1)c1ccccc1 ZINC001019804818 625836080 /nfs/dbraw/zinc/83/60/80/625836080.db2.gz JSQUOBLIVAFWMD-ZWKOTPCHSA-N 0 3 324.428 2.080 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC000998986745 634458623 /nfs/dbraw/zinc/45/86/23/634458623.db2.gz JBJNDNFXZUOESE-UHFFFAOYSA-N 0 3 324.856 2.258 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(CC(C)C)cc3)[C@@H]2C1 ZINC000979035474 634486744 /nfs/dbraw/zinc/48/67/44/634486744.db2.gz LOTIYLVPXKLJNY-LDLYASANSA-N 0 3 310.441 2.426 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCc4ccccc43)[C@@H]2C1 ZINC000979103470 634502151 /nfs/dbraw/zinc/50/21/51/634502151.db2.gz WZERSZOFFNJZQZ-WTGUMLROSA-N 0 3 322.452 2.424 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000979106964 634502558 /nfs/dbraw/zinc/50/25/58/634502558.db2.gz VQRXBCPSRLIZPK-LDLYASANSA-N 0 3 308.425 2.495 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(OC)ccn2)C1 ZINC000999219169 634516484 /nfs/dbraw/zinc/51/64/84/634516484.db2.gz WHRZHSJQNGUDRF-UHFFFAOYSA-N 0 3 309.797 2.035 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000999466366 634601031 /nfs/dbraw/zinc/60/10/31/634601031.db2.gz JYNXSANWGKYNDJ-UHFFFAOYSA-N 0 3 309.797 2.041 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000999869291 634696946 /nfs/dbraw/zinc/69/69/46/634696946.db2.gz BZNPJVPYMUHEMG-UHFFFAOYSA-N 0 3 323.824 2.349 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3csnc3C)CC2)CC1 ZINC001000121844 634754162 /nfs/dbraw/zinc/75/41/62/634754162.db2.gz BTPARBCLVSLXSD-UHFFFAOYSA-N 0 3 317.458 2.449 20 30 DEEDHN CC#CCN(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000836228505 650067161 /nfs/dbraw/zinc/06/71/61/650067161.db2.gz YDYRTUOEHYEETJ-UHFFFAOYSA-N 0 3 314.433 2.316 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC[C@@H]1CCc2ccccc21 ZINC000836491484 650098116 /nfs/dbraw/zinc/09/81/16/650098116.db2.gz UJMVARXYIMEDRO-KRWDZBQOSA-N 0 3 313.445 2.361 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001024728398 632954321 /nfs/dbraw/zinc/95/43/21/632954321.db2.gz CQUPHJADVBBIDJ-OAHLLOKOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](C)C1 ZINC000945941737 633043987 /nfs/dbraw/zinc/04/39/87/633043987.db2.gz GAIVBIQFKWWPOP-WMZOPIPTSA-N 0 3 310.441 2.486 20 30 DEEDHN Cc1nc(CNC[C@H]2CCN(C(=O)C#CC3CC3)C2)c(C)s1 ZINC001026834667 633172529 /nfs/dbraw/zinc/17/25/29/633172529.db2.gz KFHZROLVODUUEY-OAHLLOKOSA-N 0 3 317.458 2.111 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000996327808 633238224 /nfs/dbraw/zinc/23/82/24/633238224.db2.gz DILKNOJYHMIDJV-SNVBAGLBSA-N 0 3 323.181 2.131 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000996330358 633238390 /nfs/dbraw/zinc/23/83/90/633238390.db2.gz QWWCGRKXFFQHSC-HNNXBMFYSA-N 0 3 319.355 2.294 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1(C)C ZINC000996398651 633254580 /nfs/dbraw/zinc/25/45/80/633254580.db2.gz IUQSBSBIRQJTIF-FZMZJTMJSA-N 0 3 324.856 2.167 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1(C)C ZINC000996398651 633254581 /nfs/dbraw/zinc/25/45/81/633254581.db2.gz IUQSBSBIRQJTIF-FZMZJTMJSA-N 0 3 324.856 2.167 20 30 DEEDHN CCCN(C)CC(=O)NCc1cccc(O[C@@H](C#N)CC)c1 ZINC000733810138 633284137 /nfs/dbraw/zinc/28/41/37/633284137.db2.gz VRFAIHJNYPXDMK-OAHLLOKOSA-N 0 3 303.406 2.326 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)c2cccnc2)C(C)(C)C1 ZINC000974754150 633288974 /nfs/dbraw/zinc/28/89/74/633288974.db2.gz MEJKNQVJBDQAEH-INIZCTEOSA-N 0 3 313.445 2.209 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001008680619 633292722 /nfs/dbraw/zinc/29/27/22/633292722.db2.gz QGWXWIRCAZQGAA-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C[C@H]2CCC(C)(C)CO2)C(C)(C)C1 ZINC000974847456 633331284 /nfs/dbraw/zinc/33/12/84/633331284.db2.gz NIDPHYBOWLNWDX-HZPDHXFCSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001026992788 633339039 /nfs/dbraw/zinc/33/90/39/633339039.db2.gz SMHOTCCWKOSOFM-AWEZNQCLSA-N 0 3 305.422 2.442 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001027041477 633367953 /nfs/dbraw/zinc/36/79/53/633367953.db2.gz WIZNISIXEYPEMM-YJBOKZPZSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccnc(OC)c2)C(C)(C)C1 ZINC000975045327 633396616 /nfs/dbraw/zinc/39/66/16/633396616.db2.gz ABCROSQORNZOEQ-HNNXBMFYSA-N 0 3 317.433 2.035 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnnc3ccccc32)C(C)(C)C1 ZINC000975090756 633416496 /nfs/dbraw/zinc/41/64/96/633416496.db2.gz JFUAJIVQGUYYCR-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2Cc3ccccc3C2)C(C)(C)C1 ZINC000975096870 633425477 /nfs/dbraw/zinc/42/54/77/633425477.db2.gz NXRMIYWVKOYEJS-GOSISDBHSA-N 0 3 310.441 2.251 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996869445 633475567 /nfs/dbraw/zinc/47/55/67/633475567.db2.gz HYWIACCLTHLWEP-UHFFFAOYSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC000996926313 633526733 /nfs/dbraw/zinc/52/67/33/633526733.db2.gz CXONLOXXFLSZBZ-CQSZACIVSA-N 0 3 300.402 2.246 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC001027262017 633527410 /nfs/dbraw/zinc/52/74/10/633527410.db2.gz NSHYNLMXLCSWJY-CQSZACIVSA-N 0 3 307.344 2.246 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC001027262189 633528634 /nfs/dbraw/zinc/52/86/34/633528634.db2.gz RPLFUXZJXOMRQF-CQSZACIVSA-N 0 3 307.344 2.246 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC000996959930 633545248 /nfs/dbraw/zinc/54/52/48/633545248.db2.gz IYJLLQGUEKMPMB-GOSISDBHSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccnn2[C@H](C)CC)CC1 ZINC000997122433 633607787 /nfs/dbraw/zinc/60/77/87/633607787.db2.gz XTXDNHDOUYPRIY-HUUCEWRRSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(F)ccc2F)CC1 ZINC000997143879 633626652 /nfs/dbraw/zinc/62/66/52/633626652.db2.gz KRMNLPXFFINXFM-GFCCVEGCSA-N 0 3 306.356 2.428 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001027315191 633640785 /nfs/dbraw/zinc/64/07/85/633640785.db2.gz PPPJKRLSQPMNTM-QGZVFWFLSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000997222504 633679966 /nfs/dbraw/zinc/67/99/66/633679966.db2.gz ZVLRWRDWCQYRBQ-CYBMUJFWSA-N 0 3 317.433 2.436 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(OC)o2)CC1 ZINC000997364595 633716605 /nfs/dbraw/zinc/71/66/05/633716605.db2.gz JRGMWTJOQSOFEL-CYBMUJFWSA-N 0 3 304.390 2.142 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2oc(CC3CC3)nc2C)C1 ZINC001027413382 633753411 /nfs/dbraw/zinc/75/34/11/633753411.db2.gz OMEAJFQQOSHCBV-HNNXBMFYSA-N 0 3 315.417 2.105 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sc(Cl)nc2C)C1 ZINC001027428783 633771850 /nfs/dbraw/zinc/77/18/50/633771850.db2.gz CNXZGVKHSMJMFQ-NSHDSACASA-N 0 3 311.838 2.275 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)C[C@@H]1C ZINC000947922426 633782609 /nfs/dbraw/zinc/78/26/09/633782609.db2.gz XOYDTHYOBUZCEI-HOCLYGCPSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2F)C1 ZINC001027440504 633790051 /nfs/dbraw/zinc/79/00/51/633790051.db2.gz IHMYEIOVWHJRFG-OAHLLOKOSA-N 0 3 317.408 2.061 20 30 DEEDHN C#CCSCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000888370685 633859011 /nfs/dbraw/zinc/85/90/11/633859011.db2.gz PTHGUFWDTNPJGX-HOCLYGCPSA-N 0 3 302.443 2.305 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)c(OC)c2)C1 ZINC001027483138 633867278 /nfs/dbraw/zinc/86/72/78/633867278.db2.gz LNEBDPLDSAQGKB-MRXNPFEDSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 ZINC001027483683 633868563 /nfs/dbraw/zinc/86/85/63/633868563.db2.gz RXGOXGCNBDGLDN-QGZVFWFLSA-N 0 3 302.393 2.314 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2CC3(C2)CCOCC3)C[C@H]1C ZINC000947929234 633877574 /nfs/dbraw/zinc/87/75/74/633877574.db2.gz KIZOEPLWJCBBFH-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)noc2C2CC2)CC1 ZINC000997682945 633932153 /nfs/dbraw/zinc/93/21/53/633932153.db2.gz WMOGVZXQNRXLRZ-LBPRGKRZSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ncoc2C(C)(C)C)CC1 ZINC000997826183 634001539 /nfs/dbraw/zinc/00/15/39/634001539.db2.gz MUHFCCBEYGURLW-ZDUSSCGKSA-N 0 3 317.433 2.436 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]c3cccnc32)C(C)(C)C1 ZINC000977473879 634004709 /nfs/dbraw/zinc/00/47/09/634004709.db2.gz JBAXYGDWGPKQAV-OAHLLOKOSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C(C)(C)C1 ZINC000977484468 634005873 /nfs/dbraw/zinc/00/58/73/634005873.db2.gz IONNFBVPKAIJEZ-KRWDZBQOSA-N 0 3 313.445 2.357 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(Cl)no2)CC1 ZINC000997843566 634007291 /nfs/dbraw/zinc/00/72/91/634007291.db2.gz YVLVWHCZIAWJPR-NSHDSACASA-N 0 3 309.797 2.182 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc3n(c2)CCCC3)CC1 ZINC000997896958 634030170 /nfs/dbraw/zinc/03/01/70/634030170.db2.gz DUTRZSUYFQSPAA-HNNXBMFYSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001027548333 634080279 /nfs/dbraw/zinc/08/02/79/634080279.db2.gz KAYXZRBHEPIRKA-CQSZACIVSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccncc2F)CC1 ZINC000997966228 634080781 /nfs/dbraw/zinc/08/07/81/634080781.db2.gz TYDDNMFUUCISQT-AWEZNQCLSA-N 0 3 303.381 2.171 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccccc3n2C)C1 ZINC001027548465 634081536 /nfs/dbraw/zinc/08/15/36/634081536.db2.gz MWZCJSHWIJFNOO-INIZCTEOSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2nn(C)cc2Cl)CC1 ZINC000998014520 634111104 /nfs/dbraw/zinc/11/11/04/634111104.db2.gz YMLJHAJECDKLBC-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998036016 634118531 /nfs/dbraw/zinc/11/85/31/634118531.db2.gz IKAQJJQCGVGVMB-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998036016 634118533 /nfs/dbraw/zinc/11/85/33/634118533.db2.gz IKAQJJQCGVGVMB-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2coc(OCC)n2)CC1 ZINC000998050807 634123478 /nfs/dbraw/zinc/12/34/78/634123478.db2.gz ODURZEWDFSMKIR-AWEZNQCLSA-N 0 3 319.405 2.023 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000998202844 634167172 /nfs/dbraw/zinc/16/71/72/634167172.db2.gz IZNALZAENWHNBQ-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccco2)CC[C@H]1C(F)(F)F ZINC000998212945 634170166 /nfs/dbraw/zinc/17/01/66/634170166.db2.gz ALOABTWJGFDVJR-MNOVXSKESA-N 0 3 302.296 2.448 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1C(F)(F)F ZINC000998259831 634192305 /nfs/dbraw/zinc/19/23/05/634192305.db2.gz LCEATXOHYCOBDD-NWDGAFQWSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2conc2C)CC[C@@H]1C(F)(F)F ZINC000998287233 634200482 /nfs/dbraw/zinc/20/04/82/634200482.db2.gz NQWTWXPTTAAPIJ-RYUDHWBXSA-N 0 3 317.311 2.152 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 ZINC001027594945 634239400 /nfs/dbraw/zinc/23/94/00/634239400.db2.gz RGMWRQQCXRHMQE-CQSZACIVSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2oc(C3CC3)nc2C)C1 ZINC001027607997 634273804 /nfs/dbraw/zinc/27/38/04/634273804.db2.gz KQICSUYNTDHXME-CQSZACIVSA-N 0 3 301.390 2.030 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccsc3)[C@@H]2C1 ZINC000978388876 634297295 /nfs/dbraw/zinc/29/72/95/634297295.db2.gz REMNNCIHVCJVMF-BQJWPVKWSA-N 0 3 314.454 2.169 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2ccccc2F)C1 ZINC001027620078 634307154 /nfs/dbraw/zinc/30/71/54/634307154.db2.gz YBFVWYJEOJJJPQ-HUUCEWRRSA-N 0 3 302.393 2.485 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001027908245 634937113 /nfs/dbraw/zinc/93/71/13/634937113.db2.gz AAIQBZJXGWNFSL-AWEZNQCLSA-N 0 3 312.369 2.173 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001027912966 634946318 /nfs/dbraw/zinc/94/63/18/634946318.db2.gz FLTQKNVDMGONMG-OAHLLOKOSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccccc2OCC)C1 ZINC000980313359 634950071 /nfs/dbraw/zinc/95/00/71/634950071.db2.gz RKBDEUUJDLNMJM-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001027921474 634968737 /nfs/dbraw/zinc/96/87/37/634968737.db2.gz PVKCUGCRNHUWBA-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC000980489646 635020514 /nfs/dbraw/zinc/02/05/14/635020514.db2.gz AZNORTIQPQMMPL-AWEZNQCLSA-N 0 3 305.397 2.224 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(C)c2CC)C[C@@H]1C ZINC000947723465 635222788 /nfs/dbraw/zinc/22/27/88/635222788.db2.gz WEPGBBULXDPGJC-LSDHHAIUSA-N 0 3 301.434 2.194 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ncnc3ccsc32)CC1 ZINC001000757817 635298894 /nfs/dbraw/zinc/29/88/94/635298894.db2.gz DVPPTXYYMLAZDI-UHFFFAOYSA-N 0 3 314.414 2.239 20 30 DEEDHN C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC000981103410 635316336 /nfs/dbraw/zinc/31/63/36/635316336.db2.gz BDVMUKJCDLFTSM-CHWSQXEVSA-N 0 3 313.405 2.165 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC001000918353 635349669 /nfs/dbraw/zinc/34/96/69/635349669.db2.gz QWAVNNKLPXWIPC-UHFFFAOYSA-N 0 3 322.412 2.420 20 30 DEEDHN C=CCN1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC000981197805 635357586 /nfs/dbraw/zinc/35/75/86/635357586.db2.gz PIUCNIBMPVKMID-OAHLLOKOSA-N 0 3 304.438 2.117 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC001028059477 635394203 /nfs/dbraw/zinc/39/42/03/635394203.db2.gz BEFIZNMTAXAQFP-CQSZACIVSA-N 0 3 311.385 2.321 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2[nH]ncc2C(F)(F)F)CC1 ZINC000981308644 635429721 /nfs/dbraw/zinc/42/97/21/635429721.db2.gz BOIVDPOGFCLLHJ-UHFFFAOYSA-N 0 3 316.327 2.153 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001001337876 635467297 /nfs/dbraw/zinc/46/72/97/635467297.db2.gz JOWYSWIQJPWFIV-IAGOWNOFSA-N 0 3 306.450 2.372 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cn(C(C)(C)C)nc2C)CC1 ZINC001001402245 635481042 /nfs/dbraw/zinc/48/10/42/635481042.db2.gz MLNLKQXTVBQKTG-UHFFFAOYSA-N 0 3 316.449 2.022 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC001001477262 635516449 /nfs/dbraw/zinc/51/64/49/635516449.db2.gz RQVHYDZJKSTRLO-UHFFFAOYSA-N 0 3 313.357 2.081 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccccc2COC)CC1 ZINC001001585826 635529571 /nfs/dbraw/zinc/52/95/71/635529571.db2.gz PUYUJUGBRQKOQD-UHFFFAOYSA-N 0 3 314.429 2.298 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC001001692716 635541544 /nfs/dbraw/zinc/54/15/44/635541544.db2.gz IVLLEPZSGQGPLU-UHFFFAOYSA-N 0 3 314.216 2.397 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3ncccc3s2)CC1 ZINC001001703014 635544166 /nfs/dbraw/zinc/54/41/66/635544166.db2.gz PMMNZOLUPNMOHJ-UHFFFAOYSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC001001887252 635568699 /nfs/dbraw/zinc/56/86/99/635568699.db2.gz UQHNSQZPZUUUGZ-LJQANCHMSA-N 0 3 310.441 2.253 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000981659754 635583533 /nfs/dbraw/zinc/58/35/33/635583533.db2.gz FKUMOYNWUATSKG-IRXDYDNUSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114209 635593016 /nfs/dbraw/zinc/59/30/16/635593016.db2.gz DXSDRKQNALHLTH-QGZVFWFLSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001028115908 635601214 /nfs/dbraw/zinc/60/12/14/635601214.db2.gz XKHLFJWSSDTTGW-CYBMUJFWSA-N 0 3 306.356 2.491 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnc(C3CC3)s2)CC1 ZINC001002063768 635611329 /nfs/dbraw/zinc/61/13/29/635611329.db2.gz XSBBLFJUPHUFEI-UHFFFAOYSA-N 0 3 317.458 2.486 20 30 DEEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)C#CC2CC2)cc1 ZINC000837509550 650207538 /nfs/dbraw/zinc/20/75/38/650207538.db2.gz TWRKQLXOFBSVQY-SFHVURJKSA-N 0 3 312.413 2.362 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3coc(OCC)n3)C2)C1 ZINC000981871560 635702836 /nfs/dbraw/zinc/70/28/36/635702836.db2.gz AILWYNCTGYANAT-UHFFFAOYSA-N 0 3 319.405 2.187 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000981889673 635712505 /nfs/dbraw/zinc/71/25/05/635712505.db2.gz JZAWUZVUMRYUNT-OAHLLOKOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1noc2c1CCCC2 ZINC001028160310 635750491 /nfs/dbraw/zinc/75/04/91/635750491.db2.gz QPZDLGLODCSNLH-CYBMUJFWSA-N 0 3 303.406 2.324 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001028174391 635770697 /nfs/dbraw/zinc/77/06/97/635770697.db2.gz RMIYMDUJWKIUBA-CQSZACIVSA-N 0 3 315.417 2.161 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001028182399 635784920 /nfs/dbraw/zinc/78/49/20/635784920.db2.gz VHKBMCIISRTKPU-INIZCTEOSA-N 0 3 316.449 2.462 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@H](C)C1CCC1)CCO2 ZINC000949124183 635791323 /nfs/dbraw/zinc/79/13/23/635791323.db2.gz SDJGRVJRKRPYCX-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001028187902 635793574 /nfs/dbraw/zinc/79/35/74/635793574.db2.gz PYBUTHDEBAFJRV-KBPBESRZSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCN(C(=O)NCCCCCSC)C1CCN(C)CC1 ZINC000922054757 635830060 /nfs/dbraw/zinc/83/00/60/635830060.db2.gz MOJVMCHQHUCUBR-UHFFFAOYSA-N 0 3 311.495 2.259 20 30 DEEDHN COC(=O)[C@@H](C)Oc1ccccc1CNCC1(CC#N)CC1 ZINC000922084888 635855314 /nfs/dbraw/zinc/85/53/14/635855314.db2.gz OHQHGOLUKKQJLP-CYBMUJFWSA-N 0 3 302.374 2.410 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2sccc2OC)C[C@H]1C ZINC000947953103 635856026 /nfs/dbraw/zinc/85/60/26/635856026.db2.gz KNKZZTBTDIJPRR-OLZOCXBDSA-N 0 3 306.431 2.363 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(CC(N)=O)cc1 ZINC000922135100 635886739 /nfs/dbraw/zinc/88/67/39/635886739.db2.gz NZUWJVNRYBMHJY-UHFFFAOYSA-N 0 3 307.397 2.493 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccc(F)cc3)C[C@]2(C)C1 ZINC000982191397 635903663 /nfs/dbraw/zinc/90/36/63/635903663.db2.gz AYFHSPJOGGGWIU-HDICACEKSA-N 0 3 300.377 2.243 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3coc(C)c3)C[C@]2(C)C1 ZINC000982267162 635932010 /nfs/dbraw/zinc/93/20/10/635932010.db2.gz IJODGMDLMVMJCP-HDICACEKSA-N 0 3 300.402 2.395 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c2ccccc2nn1C ZINC001028242067 635951257 /nfs/dbraw/zinc/95/12/57/635951257.db2.gz AOMIQOBWGXMLQO-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001028243336 635953070 /nfs/dbraw/zinc/95/30/70/635953070.db2.gz NZNRMPBZJUBEEV-LBPRGKRZSA-N 0 3 301.415 2.447 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001028249393 635958175 /nfs/dbraw/zinc/95/81/75/635958175.db2.gz SACKCRXGTWRIJJ-QGZVFWFLSA-N 0 3 313.445 2.449 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCc2ccc(C#N)cn2)C1 ZINC000893868794 636050584 /nfs/dbraw/zinc/05/05/84/636050584.db2.gz NVICMESJPWPVGQ-OTVXOJSOSA-N 0 3 316.405 2.346 20 30 DEEDHN C=C1CCC(CNC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000922345859 636111874 /nfs/dbraw/zinc/11/18/74/636111874.db2.gz DJOCGRMQUWSRLY-UHFFFAOYSA-N 0 3 322.497 2.058 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001028308083 636122835 /nfs/dbraw/zinc/12/28/35/636122835.db2.gz VPGJBSQDPRUDMZ-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001028340760 636139957 /nfs/dbraw/zinc/13/99/57/636139957.db2.gz WZURKLNHQQQTHG-QGZVFWFLSA-N 0 3 315.417 2.050 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)c3ccccn3)C2)cc1 ZINC001028361511 636148285 /nfs/dbraw/zinc/14/82/85/636148285.db2.gz FGMIYKXUMGKTDW-KRWDZBQOSA-N 0 3 320.396 2.205 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)c3cccnc3)C2)cc1 ZINC001028362428 636150397 /nfs/dbraw/zinc/15/03/97/636150397.db2.gz OFIWQXDRNFMMGG-QGZVFWFLSA-N 0 3 320.396 2.205 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CC(=O)N(C)C1 ZINC000922488321 636198921 /nfs/dbraw/zinc/19/89/21/636198921.db2.gz RVAMSLLSYRBSNM-CYBMUJFWSA-N 0 3 320.820 2.310 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3CC4(CC4)C3)C[C@]2(C)C1 ZINC000982546818 636260610 /nfs/dbraw/zinc/26/06/10/636260610.db2.gz MKJPZLSSOPQNGX-HDICACEKSA-N 0 3 300.446 2.370 20 30 DEEDHN CCN(CC)[C@@H](CNC(=O)NCCC#N)c1cccc(OC)c1 ZINC000426417652 636286491 /nfs/dbraw/zinc/28/64/91/636286491.db2.gz SIJBFEBGLOYCGL-INIZCTEOSA-N 0 3 318.421 2.291 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC#N ZINC000426457602 636329055 /nfs/dbraw/zinc/32/90/55/636329055.db2.gz YLPVUFYAJFQMBN-OAHLLOKOSA-N 0 3 300.406 2.206 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cc(CC)on3)C[C@]2(C)C1 ZINC000982736716 636384467 /nfs/dbraw/zinc/38/44/67/636384467.db2.gz UBWYGTDOSNIPOV-HDICACEKSA-N 0 3 315.417 2.044 20 30 DEEDHN COc1cnccc1N1CCN(Cc2csc(C#N)c2)CC1 ZINC000894181947 636397568 /nfs/dbraw/zinc/39/75/68/636397568.db2.gz BTZGBBNCJBZTBS-UHFFFAOYSA-N 0 3 314.414 2.346 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNCc3ccc(C#N)o3)[C@@H]2C1 ZINC000922787660 636400888 /nfs/dbraw/zinc/40/08/88/636400888.db2.gz HEXQVKRWLCOVRI-QKDCVEJESA-N 0 3 317.389 2.354 20 30 DEEDHN C=CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922852975 636445974 /nfs/dbraw/zinc/44/59/74/636445974.db2.gz XPRFWKOQXCDQLY-MQVJKMGUSA-N 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ZINC000989857881 641258708 /nfs/dbraw/zinc/25/87/08/641258708.db2.gz UCLKULXPECHEIB-WBVHZDCISA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3cnc(C)s3)CCC[C@@H]12 ZINC000990012116 641323896 /nfs/dbraw/zinc/32/38/96/641323896.db2.gz DVQGPVKENIJBCB-GDBMZVCRSA-N 0 3 303.431 2.202 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3oc(C)nc3C)CCC[C@@H]12 ZINC000990110235 641359485 /nfs/dbraw/zinc/35/94/85/641359485.db2.gz USLVFOSYUJAJAE-RHSMWYFYSA-N 0 3 301.390 2.042 20 30 DEEDHN C=CCCC[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccccc1 ZINC000927024105 641581466 /nfs/dbraw/zinc/58/14/66/641581466.db2.gz FUOPFBYEYGZWAM-HOTGVXAUSA-N 0 3 311.447 2.079 20 30 DEEDHN C=CCCC[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccccc1 ZINC000927024106 641581648 /nfs/dbraw/zinc/58/16/48/641581648.db2.gz FUOPFBYEYGZWAM-HZPDHXFCSA-N 0 3 311.447 2.079 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CN1CCc2ccccc21 ZINC000772642584 641668209 /nfs/dbraw/zinc/66/82/09/641668209.db2.gz GWPYQOODYUJCQI-OAHLLOKOSA-N 0 3 313.401 2.064 20 30 DEEDHN N#CC(C(=O)[C@H]1C[C@]1(F)c1ccccc1)C(=O)N1CCCC1 ZINC000842285710 650693779 /nfs/dbraw/zinc/69/37/79/650693779.db2.gz RPOAWHFNHXWONC-CPUCHLNUSA-N 0 3 300.333 2.203 20 30 DEEDHN CC[C@H](Sc1ccccc1)C(=O)C(C#N)C(=O)NCCOC ZINC000842287413 650694963 /nfs/dbraw/zinc/69/49/63/650694963.db2.gz BJTZCOXRDZIRIY-KBPBESRZSA-N 0 3 320.414 2.029 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccnn2C)c([O-])c1 ZINC000899227967 641996882 /nfs/dbraw/zinc/99/68/82/641996882.db2.gz VVPALDVQUUMYTD-SZLZGVTBSA-N 0 3 316.405 2.124 20 30 DEEDHN C=C(C)C[C@H](CO)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000899234043 642005763 /nfs/dbraw/zinc/00/57/63/642005763.db2.gz DLSWVYNHDFDMNR-WBVHZDCISA-N 0 3 320.433 2.178 20 30 DEEDHN C=CCC1(O)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000899592392 642115718 /nfs/dbraw/zinc/11/57/18/642115718.db2.gz JQHQTPFGOXDUNI-KRWDZBQOSA-N 0 3 312.429 2.129 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H](F)Cc1ccccc1 ZINC000778293341 642367492 /nfs/dbraw/zinc/36/74/92/642367492.db2.gz DBRDLANHOHBPTD-LSDHHAIUSA-N 0 3 302.349 2.335 20 30 DEEDHN C[C@@H](O)CN(C)N=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842535375 650762232 /nfs/dbraw/zinc/76/22/32/650762232.db2.gz GANMAAJPJWYHTN-OAHLLOKOSA-N 0 3 301.434 2.484 20 30 DEEDHN C=CC[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000901706988 642762927 /nfs/dbraw/zinc/76/29/27/642762927.db2.gz SNPNTNNXZGSXQG-DLBZAZTESA-N 0 3 319.449 2.063 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cn4c(n3)CCCC4)CCC[C@@H]12 ZINC000990903048 642792291 /nfs/dbraw/zinc/79/22/91/642792291.db2.gz ARGRKRITUUVJLV-QAPCUYQASA-N 0 3 314.433 2.132 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3c(C)[nH]nc3Cl)CCC[C@H]12 ZINC000990971893 642965120 /nfs/dbraw/zinc/96/51/20/642965120.db2.gz FKVXITRMSYSGMP-XHDPSFHLSA-N 0 3 308.813 2.284 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](c1ccccc1)C1CCOCC1 ZINC000783530863 643015534 /nfs/dbraw/zinc/01/55/34/643015534.db2.gz CXYPZXSJGQTOTC-QGZVFWFLSA-N 0 3 323.458 2.345 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc(OC)cc3F)CCC[C@H]12 ZINC000990993694 643017650 /nfs/dbraw/zinc/01/76/50/643017650.db2.gz CWPMPKOISGQWOG-YOEHRIQHSA-N 0 3 319.380 2.142 20 30 DEEDHN C[C@H](NCCc1nnc2n1CCCCC2)c1cc(C#N)ccn1 ZINC000902736672 643126925 /nfs/dbraw/zinc/12/69/25/643126925.db2.gz WHHZQYLIZRWZTN-ZDUSSCGKSA-N 0 3 310.405 2.164 20 30 DEEDHN CC[C@H](N[C@@H](CC)c1cccc(C#N)c1)C(=O)N1CCOCC1 ZINC000902835302 643157844 /nfs/dbraw/zinc/15/78/44/643157844.db2.gz DFSXILXCGAAUBE-IRXDYDNUSA-N 0 3 315.417 2.236 20 30 DEEDHN CC[C@@H](N[C@@H](CC)C(=O)N1CCOCC1)c1cccc(C#N)c1 ZINC000902835303 643158703 /nfs/dbraw/zinc/15/87/03/643158703.db2.gz DFSXILXCGAAUBE-SJORKVTESA-N 0 3 315.417 2.236 20 30 DEEDHN Cc1cc(N2CCC[C@H](N[C@H](C)c3cc(C#N)ccn3)C2)n(C)n1 ZINC000902972856 643215323 /nfs/dbraw/zinc/21/53/23/643215323.db2.gz JQHDQNOSDXEBFC-ZBFHGGJFSA-N 0 3 324.432 2.315 20 30 DEEDHN CCS(=O)(=O)NC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000903009619 643222988 /nfs/dbraw/zinc/22/29/88/643222988.db2.gz IPLRFKJKZGJIQD-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2nn(-c3ccccc3)cc2C)CC1 ZINC000730201489 643282931 /nfs/dbraw/zinc/28/29/31/643282931.db2.gz OZDYRRUNXPUROA-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786310447 643351532 /nfs/dbraw/zinc/35/15/32/643351532.db2.gz UXOHXRSIGHQEGP-OPRDCNLKSA-N 0 3 308.790 2.492 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000805856033 643554016 /nfs/dbraw/zinc/55/40/16/643554016.db2.gz QOMZIQRNSMOKPZ-LLVKDONJSA-N 0 3 305.378 2.138 20 30 DEEDHN C#CCC1(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CCCCC1 ZINC000788520109 643619483 /nfs/dbraw/zinc/61/94/83/643619483.db2.gz GHIBSNRUSFRSME-GJZGRUSLSA-N 0 3 308.491 2.464 20 30 DEEDHN N#Cc1ccc(F)c(CNC[C@H](O)CC2(CO)CCCC2)c1 ZINC000905520438 643942385 /nfs/dbraw/zinc/94/23/85/643942385.db2.gz ZKPPOYHYMWJTQC-OAHLLOKOSA-N 0 3 306.381 2.091 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@]12CCC[C@@H]1N(CC#CC)CC2 ZINC000991070950 644002309 /nfs/dbraw/zinc/00/23/09/644002309.db2.gz XAOCHFZOUSDEAX-HKUYNNGSSA-N 0 3 311.429 2.424 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000907141988 644455663 /nfs/dbraw/zinc/45/56/63/644455663.db2.gz JYEDLMUUHKMLJQ-LSDHHAIUSA-N 0 3 320.458 2.067 20 30 DEEDHN CC(C)(C)OC(=O)COC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000795818129 644641481 /nfs/dbraw/zinc/64/14/81/644641481.db2.gz VKZDDCUPZKCHII-CQSZACIVSA-N 0 3 314.341 2.125 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796631756 644768317 /nfs/dbraw/zinc/76/83/17/644768317.db2.gz ITJSXJGRARNCMM-OLZOCXBDSA-N 0 3 306.312 2.447 20 30 DEEDHN C#C[C@H](N[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000843403563 650967146 /nfs/dbraw/zinc/96/71/46/650967146.db2.gz YSOPSQSOCFQSFV-FZKCQIBNSA-N 0 3 322.449 2.402 20 30 DEEDHN CCN1CCCN(C(=O)c2ccc(C=NOC)cc2)[C@H](C)C1 ZINC000910296829 645409002 /nfs/dbraw/zinc/40/90/02/645409002.db2.gz YSWDEKVVAUUQPJ-CQSZACIVSA-N 0 3 303.406 2.223 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000911971433 645896078 /nfs/dbraw/zinc/89/60/78/645896078.db2.gz RJCCHMBDIOEUGY-HNNXBMFYSA-N 0 3 303.406 2.076 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000912031514 645911670 /nfs/dbraw/zinc/91/16/70/645911670.db2.gz GZGCZZBVKQZFMV-OAHLLOKOSA-N 0 3 317.433 2.384 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000912137858 645960362 /nfs/dbraw/zinc/96/03/62/645960362.db2.gz FDKROUITJGNEIW-CMPLNLGQSA-N 0 3 303.362 2.028 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)nc1 ZINC000807703797 645978925 /nfs/dbraw/zinc/97/89/25/645978925.db2.gz NKWWOGGJMUDWBF-QGZVFWFLSA-N 0 3 311.360 2.235 20 30 DEEDHN C#Cc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000809603373 646244570 /nfs/dbraw/zinc/24/45/70/646244570.db2.gz OAYLCYBQHXOPHD-UHFFFAOYSA-N 0 3 314.410 2.329 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913096118 646265913 /nfs/dbraw/zinc/26/59/13/646265913.db2.gz CIVLYQGGAFFIJE-JZXOWHBKSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913100287 646269171 /nfs/dbraw/zinc/26/91/71/646269171.db2.gz QKZKEGVVMIPOMD-DOTOQJQBSA-N 0 3 302.418 2.216 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc(C)n(CC)c3C)CCC[C@@H]12 ZINC000991681513 646580859 /nfs/dbraw/zinc/58/08/59/646580859.db2.gz PFDFQVROWAEJMQ-MJGOQNOKSA-N 0 3 313.445 2.485 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)C[C@@H]1C ZINC000948002029 646675442 /nfs/dbraw/zinc/67/54/42/646675442.db2.gz ISQYAFKVGMDGFY-ZFWWWQNUSA-N 0 3 304.821 2.485 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCOC2)cc1 ZINC000171036203 646683095 /nfs/dbraw/zinc/68/30/95/646683095.db2.gz LLZLOEZMUPZMPT-UKRRQHHQSA-N 0 3 300.358 2.323 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2sc(C)nc2C)C[C@@H]1C ZINC000948006053 646689851 /nfs/dbraw/zinc/68/98/51/646689851.db2.gz CZQCPRKVEFMTQQ-SMDDNHRTSA-N 0 3 305.447 2.366 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(Cl)cnn2CC)C[C@H]1C ZINC000947338410 646706774 /nfs/dbraw/zinc/70/67/74/646706774.db2.gz KMSQPGUVQFCHFS-CHWSQXEVSA-N 0 3 322.840 2.162 20 30 DEEDHN CC(COC(=O)CCCCOc1cccc(C#N)c1)[N+](=O)[O-] ZINC000813108192 646730566 /nfs/dbraw/zinc/73/05/66/646730566.db2.gz CDTAPUZHFUQORO-LBPRGKRZSA-N 0 3 306.318 2.316 20 30 DEEDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc(C#N)o1 ZINC000814104849 646850324 /nfs/dbraw/zinc/85/03/24/646850324.db2.gz GXTZIYPYMBOPAP-UHFFFAOYSA-N 0 3 311.385 2.398 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nc(OC)c3)CCC[C@H]12 ZINC000992124108 646862609 /nfs/dbraw/zinc/86/26/09/646862609.db2.gz MGICGBALKWOPED-MAUKXSAKSA-N 0 3 315.417 2.311 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3cc(F)ccc3F)CCC[C@H]12 ZINC000992149400 646874848 /nfs/dbraw/zinc/87/48/48/646874848.db2.gz CNUSXRUIMIKSQO-WMZOPIPTSA-N 0 3 318.367 2.254 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)CC3(C#N)CC3)cc2)CC1 ZINC000814787360 646928296 /nfs/dbraw/zinc/92/82/96/646928296.db2.gz ZELVKLJKPQOKOU-UHFFFAOYSA-N 0 3 312.417 2.461 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccn4ccnc34)CCC[C@@H]12 ZINC000992321089 646945075 /nfs/dbraw/zinc/94/50/75/646945075.db2.gz DZQOQVWYUCOXLQ-APWZRJJASA-N 0 3 322.412 2.084 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc4c(c3)COC4)CCC[C@@H]12 ZINC000992335844 646950647 /nfs/dbraw/zinc/95/06/47/646950647.db2.gz HPLLDGZTDUFTGZ-UYAOXDASSA-N 0 3 324.424 2.467 20 30 DEEDHN CN1C(=O)C[C@H](NCCOCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000815102875 646969202 /nfs/dbraw/zinc/96/92/02/646969202.db2.gz TUEWDIOMLIGRIV-HOCLYGCPSA-N 0 3 321.808 2.132 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cncc(F)c1 ZINC000151616311 646983325 /nfs/dbraw/zinc/98/33/25/646983325.db2.gz GEAGDWWRWAWKHK-LBPRGKRZSA-N 0 3 313.288 2.190 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3cc(C)ccc3F)CCC[C@@H]12 ZINC000992423047 646990628 /nfs/dbraw/zinc/99/06/28/646990628.db2.gz MHONGRILJBMIOL-MJGOQNOKSA-N 0 3 314.404 2.423 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3c[nH]c4ccccc34)CCC[C@H]12 ZINC000992430339 646999001 /nfs/dbraw/zinc/99/90/01/646999001.db2.gz ZATDEFHSTWVICJ-AZUAARDMSA-N 0 3 321.424 2.457 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3ccc4c(c3)N(C)CC4)CCC[C@H]12 ZINC000992458308 647028907 /nfs/dbraw/zinc/02/89/07/647028907.db2.gz SMOCPTBTOULRQC-AZUAARDMSA-N 0 3 323.440 2.039 20 30 DEEDHN CN(C)[C@H](CNC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000913858791 647070623 /nfs/dbraw/zinc/07/06/23/647070623.db2.gz WROVRVBJYLWTLN-GOEBONIOSA-N 0 3 300.406 2.234 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3cnc(CC)s3)CCC[C@@H]12 ZINC000992547323 647103642 /nfs/dbraw/zinc/10/36/42/647103642.db2.gz KZMAAHPFDUZLEL-PBHICJAKSA-N 0 3 317.458 2.456 20 30 DEEDHN C#CCN(C(=O)N[C@@H](C)Cc1cccs1)C1CCN(C)CC1 ZINC000914104320 647157293 /nfs/dbraw/zinc/15/72/93/647157293.db2.gz DDJAANJDSDTZBE-AWEZNQCLSA-N 0 3 319.474 2.418 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(CC)n(C)n2)CC1 ZINC000817341677 647271695 /nfs/dbraw/zinc/27/16/95/647271695.db2.gz ACPKBNOEJIVEQI-UHFFFAOYSA-N 0 3 305.426 2.145 20 30 DEEDHN C#CCOc1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000730952305 647434755 /nfs/dbraw/zinc/43/47/55/647434755.db2.gz UCKDSYVQSKHUMK-UHFFFAOYSA-N 0 3 303.431 2.079 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1 ZINC000193369408 647481978 /nfs/dbraw/zinc/48/19/78/647481978.db2.gz ASZXPQHCKUEYRU-ZFWWWQNUSA-N 0 3 302.374 2.469 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1cccc(C(C)C)c1 ZINC000818589133 647483596 /nfs/dbraw/zinc/48/35/96/647483596.db2.gz RWJPZZPQZPWLGI-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccccc1OC1CCC1 ZINC000818599215 647486426 /nfs/dbraw/zinc/48/64/26/647486426.db2.gz FAQFZPUOSNSDEQ-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@H]1C ZINC000993321786 647593256 /nfs/dbraw/zinc/59/32/56/647593256.db2.gz BOEUMBOCCSFQDP-HZPDHXFCSA-N 0 3 311.429 2.106 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H]1C ZINC000993398455 647650356 /nfs/dbraw/zinc/65/03/56/647650356.db2.gz RKMSVRUPGCGBAK-GOEBONIOSA-N 0 3 302.422 2.252 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H]1C ZINC000993485138 647685014 /nfs/dbraw/zinc/68/50/14/647685014.db2.gz HTSKTVOQFHCROO-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cncc(OC)c2C)[C@H]1C ZINC000993512591 647693664 /nfs/dbraw/zinc/69/36/64/647693664.db2.gz XGXNESJVPBZMRX-GDBMZVCRSA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc3cnccc3c2)[C@@H]1C ZINC000993585044 647697827 /nfs/dbraw/zinc/69/78/27/647697827.db2.gz BSZOQXSPPNGBBT-YOEHRIQHSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@H]1C ZINC000993569313 647702359 /nfs/dbraw/zinc/70/23/59/647702359.db2.gz PQJQOPRFMJHXJD-GDBMZVCRSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(COC)c2)[C@H]1C ZINC000993570015 647702477 /nfs/dbraw/zinc/70/24/77/647702477.db2.gz OMKMRFPGUJFFFC-CRAIPNDOSA-N 0 3 314.429 2.439 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cccc(OCC)n2)[C@@H]1C ZINC000993607063 647705462 /nfs/dbraw/zinc/70/54/62/647705462.db2.gz BCBCLBWDOOYTIQ-HOCLYGCPSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccn(C(C)C)n2)[C@H]1C ZINC000993613733 647706982 /nfs/dbraw/zinc/70/69/82/647706982.db2.gz PGDVPSCYZBPGHX-GDBMZVCRSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@@H]1C ZINC000993612094 647707164 /nfs/dbraw/zinc/70/71/64/647707164.db2.gz JIPDPOYFIQCGRH-GOEBONIOSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2sc(C)nc2C)[C@@H]1C ZINC000993613801 647707250 /nfs/dbraw/zinc/70/72/50/647707250.db2.gz PVPOBMABBOOZGV-ZFWWWQNUSA-N 0 3 319.474 2.295 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H]1C ZINC000993639139 647712646 /nfs/dbraw/zinc/71/26/46/647712646.db2.gz CTRHSEIFMWRDIK-RDJZCZTQSA-N 0 3 318.465 2.125 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2occ3c2CCC3)[C@@H]1C ZINC000993672607 647721925 /nfs/dbraw/zinc/72/19/25/647721925.db2.gz WHLGONGYEJONDL-XJKSGUPXSA-N 0 3 300.402 2.374 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3nonc3c2)[C@H]1C ZINC000993726294 647731597 /nfs/dbraw/zinc/73/15/97/647731597.db2.gz CTHKGVORRQIPAJ-TZMCWYRMSA-N 0 3 314.389 2.382 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCN(CCCF)[C@H]2C)c1 ZINC000993773354 647744753 /nfs/dbraw/zinc/74/47/53/647744753.db2.gz PXVONYOLGBCDIJ-XJKSGUPXSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1C ZINC000993857767 647751920 /nfs/dbraw/zinc/75/19/20/647751920.db2.gz QVSRMWYTPSPEFT-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc(C)nc2C)[C@H]1C ZINC000994003954 647776650 /nfs/dbraw/zinc/77/66/50/647776650.db2.gz BJMZIMIVQOBWDF-CJNGLKHVSA-N 0 3 302.422 2.252 20 30 DEEDHN O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000820078971 647780471 /nfs/dbraw/zinc/78/04/71/647780471.db2.gz ASKQMVTXFQFVEM-KXTWHKPSSA-N 0 3 316.404 2.285 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(CC(C)C)c2)[C@H]1C ZINC000994111217 647792623 /nfs/dbraw/zinc/79/26/23/647792623.db2.gz GCNBZROQCIZSQV-WBVHZDCISA-N 0 3 316.449 2.145 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]c3cccnc32)[C@H]1C ZINC000994217737 647806831 /nfs/dbraw/zinc/80/68/31/647806831.db2.gz XKZGGRNKBWKWOG-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H]1C ZINC000994221680 647809982 /nfs/dbraw/zinc/80/99/82/647809982.db2.gz RFCJIGQSZOOZRF-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@@H]1C ZINC000994238083 647817023 /nfs/dbraw/zinc/81/70/23/647817023.db2.gz HVZHIBFAKSLVNZ-RDJZCZTQSA-N 0 3 324.428 2.029 20 30 DEEDHN C#C[C@H](CCC)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000820635936 647884333 /nfs/dbraw/zinc/88/43/33/647884333.db2.gz OTFDZQOIJPCHND-OAHLLOKOSA-N 0 3 305.422 2.463 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@H]1C ZINC000994294317 647905797 /nfs/dbraw/zinc/90/57/97/647905797.db2.gz FQXWVOIHIDOFDF-QAPCUYQASA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H]1C ZINC000994293911 647906247 /nfs/dbraw/zinc/90/62/47/647906247.db2.gz CZBWMEJHXNEFSG-MAUKXSAKSA-N 0 3 313.445 2.359 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn3ccccc3n2)[C@H]1C ZINC000994340406 647913404 /nfs/dbraw/zinc/91/34/04/647913404.db2.gz UQTHWEMRFWTPEQ-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H]1C ZINC000994357738 647918900 /nfs/dbraw/zinc/91/89/00/647918900.db2.gz YKYIWMLMIUSCHE-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn3c(cccc3C)n2)[C@@H]1C ZINC000994372325 647921146 /nfs/dbraw/zinc/92/11/46/647921146.db2.gz HWZNSKDLCIKZPX-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000916918678 647939682 /nfs/dbraw/zinc/93/96/82/647939682.db2.gz VKKUTMZTYKRVNJ-GWCFXTLKSA-N 0 3 306.749 2.118 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000916920386 647940154 /nfs/dbraw/zinc/94/01/54/647940154.db2.gz JQHSDEOCBRATGJ-AAEUAGOBSA-N 0 3 320.776 2.427 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2csc3nccn23)[C@H]1C ZINC000994435023 647947909 /nfs/dbraw/zinc/94/79/09/647947909.db2.gz MQMKQIVNFUDUHP-OCCSQVGLSA-N 0 3 318.446 2.093 20 30 DEEDHN C#CCOc1ccc(NC(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000820983094 647961646 /nfs/dbraw/zinc/96/16/46/647961646.db2.gz MKTMHBHRFWRBCW-OAHLLOKOSA-N 0 3 301.390 2.257 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H]1C ZINC000994482063 647967446 /nfs/dbraw/zinc/96/74/46/647967446.db2.gz CDQGGJUUBUGMTO-GOEBONIOSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2n[nH]c3ccccc23)[C@H]1C ZINC000994497339 647971807 /nfs/dbraw/zinc/97/18/07/647971807.db2.gz KNNUVUUFMIOSHD-HIFRSBDPSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)[C@H]1C ZINC000994500997 647973945 /nfs/dbraw/zinc/97/39/45/647973945.db2.gz YXLVGZXTMHKAEY-CZUORRHYSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2N(C)C)[C@@H]1C ZINC000994505704 647974445 /nfs/dbraw/zinc/97/44/45/647974445.db2.gz KCDATJWZOJAKPZ-DOTOQJQBSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCN(C(=O)N[C@@H](C)c1cccc(O)c1)C1CCN(C)CC1 ZINC000918191007 648063737 /nfs/dbraw/zinc/06/37/37/648063737.db2.gz 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C=CCN1CC[C@H](NC(=O)c2cncc(OC)c2C)C(C)(C)C1 ZINC000940837779 648954338 /nfs/dbraw/zinc/95/43/38/648954338.db2.gz AKURZJUXJJSBSY-INIZCTEOSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000827114096 648974019 /nfs/dbraw/zinc/97/40/19/648974019.db2.gz DWLLBKVJLIVPJI-MRXNPFEDSA-N 0 3 303.450 2.328 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)ncc2Cl)C(C)(C)C1 ZINC000941075232 648994258 /nfs/dbraw/zinc/99/42/58/648994258.db2.gz ISPQSVJXUHHQLU-CYBMUJFWSA-N 0 3 322.840 2.455 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@]2(C)CCCOC2)C(C)(C)C1 ZINC000941131627 649008747 /nfs/dbraw/zinc/00/87/47/649008747.db2.gz ZSCVEEVSRRAZDN-QAPCUYQASA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C(C)(C)C1 ZINC000941167490 649014267 /nfs/dbraw/zinc/01/42/67/649014267.db2.gz VZBSFYYTWJYZMA-ZDUSSCGKSA-N 0 3 304.438 2.090 20 30 DEEDHN C=C(C)[C@H](CO)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000827411049 649030370 /nfs/dbraw/zinc/03/03/70/649030370.db2.gz 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C#CCC[NH+]1CCC(NC(=O)c2cc(SC)ccc2[O-])CC1 ZINC000828478613 649184216 /nfs/dbraw/zinc/18/42/16/649184216.db2.gz XGIXHDNXJFXNOM-UHFFFAOYSA-N 0 3 318.442 2.332 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccnc2C2CC2)[C@H](C)C1 ZINC000942272442 649194646 /nfs/dbraw/zinc/19/46/46/649194646.db2.gz QWAIQXRLTSAARL-PBHICJAKSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000828698130 649210232 /nfs/dbraw/zinc/21/02/32/649210232.db2.gz BKQUCCMEHZNKQX-AEFFLSMTSA-N 0 3 316.445 2.298 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)[C@@H](C)C1 ZINC000942445308 649221413 /nfs/dbraw/zinc/22/14/13/649221413.db2.gz TUYHYHURUJLFAS-SUMWQHHRSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2onc3c2CCCC3)[C@@H](C)C1 ZINC000942485245 649227694 /nfs/dbraw/zinc/22/76/94/649227694.db2.gz GRHVWCJDCJTKDD-JSGCOSHPSA-N 0 3 303.406 2.180 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)ccnc2OCC)[C@H](C)C1 ZINC000942530195 649235676 /nfs/dbraw/zinc/23/56/76/649235676.db2.gz 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CC#CCN1CC[C@H](NC(=O)c2cnoc2C2CC2)[C@@H](C)C1 ZINC000943952328 649463878 /nfs/dbraw/zinc/46/38/78/649463878.db2.gz ZBOYTSOHWJRHJQ-WFASDCNBSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C2CC2)[C@H](C)C1 ZINC000944016496 649471092 /nfs/dbraw/zinc/47/10/92/649471092.db2.gz LRRIOKKPDBQZJG-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC)c2C2CC2)[C@@H](C)C1 ZINC000944032814 649475520 /nfs/dbraw/zinc/47/55/20/649475520.db2.gz HVOYMMYSWDODQT-BBRMVZONSA-N 0 3 316.449 2.407 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H](C)C1 ZINC000944077992 649479772 /nfs/dbraw/zinc/47/97/72/649479772.db2.gz DMCIWGTUFYLWPV-YOEHRIQHSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H]1CN(CC(C)C)CCO1 ZINC000072671888 649482840 /nfs/dbraw/zinc/48/28/40/649482840.db2.gz WUNSXICGTQKACW-SFHVURJKSA-N 0 3 316.445 2.145 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc(OC(C)C)c2)[C@@H](C)C1 ZINC000944123800 649486088 /nfs/dbraw/zinc/48/60/88/649486088.db2.gz 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C=C[C@H](C)ONC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000844630098 651148690 /nfs/dbraw/zinc/14/86/90/651148690.db2.gz DUDKBZPDFWPRFH-AWEZNQCLSA-N 0 3 318.421 2.456 20 30 DEEDHN N#CC(C(=O)Cc1ccccc1C(F)(F)F)C(=O)NC1CC1 ZINC000105757787 651198631 /nfs/dbraw/zinc/19/86/31/651198631.db2.gz LXXJXNJVKOIRGD-LLVKDONJSA-N 0 3 310.275 2.235 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000845625475 651262465 /nfs/dbraw/zinc/26/24/65/651262465.db2.gz MDGLWFKVSTZLLJ-OFQRWUPVSA-N 0 3 303.406 2.312 20 30 DEEDHN C=C[C@H](C)ONC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000845627685 651263251 /nfs/dbraw/zinc/26/32/51/651263251.db2.gz IMLGPLZKBCFDQJ-HOCLYGCPSA-N 0 3 303.406 2.408 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000846232112 651316979 /nfs/dbraw/zinc/31/69/79/651316979.db2.gz SYYOSHQLSZQVNV-DLBZAZTESA-N 0 3 316.470 2.205 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)nc1Cl ZINC000847256133 651384547 /nfs/dbraw/zinc/38/45/47/651384547.db2.gz OGDMQYIWWCKXCW-JSGCOSHPSA-N 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C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001054101560 693845221 /nfs/dbraw/zinc/84/52/21/693845221.db2.gz AABJOELUXKOHQS-JSGCOSHPSA-N 0 3 317.355 2.413 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1csnc1C)C2 ZINC001054119274 693852518 /nfs/dbraw/zinc/85/25/18/693852518.db2.gz AUSPOBRDKSAQCS-MRXNPFEDSA-N 0 3 303.431 2.013 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cccc(CC)n1)C2 ZINC001054146482 693862004 /nfs/dbraw/zinc/86/20/04/693862004.db2.gz KWOHBNXLTAYIDA-IBGZPJMESA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1cccc(C)c1)C2 ZINC001054186786 693875216 /nfs/dbraw/zinc/87/52/16/693875216.db2.gz FHFKULWPCSQFQX-FQEVSTJZSA-N 0 3 310.441 2.485 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1nccc3[nH]ccc31)C2 ZINC001054200528 693880820 /nfs/dbraw/zinc/88/08/20/693880820.db2.gz YRTYJQYCMJTUBM-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1nc(CC)oc1C)C2 ZINC001054212394 693884623 /nfs/dbraw/zinc/88/46/23/693884623.db2.gz 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/nfs/dbraw/zinc/92/61/34/693926134.db2.gz NZVRUZGXWNTBRU-BXUZGUMPSA-N 0 3 304.781 2.379 20 30 DEEDHN COC(=O)C[C@]1(NCc2ccc(C)c(C#N)c2)CCCOC1 ZINC000859256329 685691690 /nfs/dbraw/zinc/69/16/90/685691690.db2.gz YCTGCDCPOJTQMT-QGZVFWFLSA-N 0 3 302.374 2.069 20 30 DEEDHN Cc1ccc(CO[C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000860461222 685929485 /nfs/dbraw/zinc/92/94/85/685929485.db2.gz GLXSHOOHWSJGDB-GOEBONIOSA-N 0 3 314.385 2.231 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860463005 685930108 /nfs/dbraw/zinc/93/01/08/685930108.db2.gz JYCVYHNIMLFIEK-MGPQQGTHSA-N 0 3 318.373 2.023 20 30 DEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000860472069 685930980 /nfs/dbraw/zinc/93/09/80/685930980.db2.gz AUQPGBAAADCGDA-HOCLYGCPSA-N 0 3 316.357 2.158 20 30 DEEDHN COC1CC(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000860470672 685931025 /nfs/dbraw/zinc/93/10/25/685931025.db2.gz SZGWDKVHSUSPEU-ILDUYXDCSA-N 0 3 306.749 2.412 20 30 DEEDHN CCN(CC1CCC(C#N)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000929640640 693995341 /nfs/dbraw/zinc/99/53/41/693995341.db2.gz JPGHQDRNFQPLBC-NFOMZHRRSA-N 0 3 300.468 2.461 20 30 DEEDHN Cc1ccc(CCCN2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000862422088 686298942 /nfs/dbraw/zinc/29/89/42/686298942.db2.gz QRUPMSNLUOATQU-UHFFFAOYSA-N 0 3 321.428 2.412 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054633553 694010103 /nfs/dbraw/zinc/01/01/03/694010103.db2.gz ABMRHKMBSNATJR-BDJLRTHQSA-N 0 3 317.458 2.110 20 30 DEEDHN Cc1cc(NN=Cc2cccn2CC(=O)OC(C)(C)C)ccn1 ZINC000863160565 686438958 /nfs/dbraw/zinc/43/89/58/686438958.db2.gz KBQYFLJGGLDSDL-UHFFFAOYSA-N 0 3 314.389 2.401 20 30 DEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CC1CCC(C#N)CC1 ZINC000929825205 694035965 /nfs/dbraw/zinc/03/59/65/694035965.db2.gz OMDAHUDTPAJIPQ-FHERZECASA-N 0 3 324.432 2.189 20 30 DEEDHN Cn1ccnc1N1CCN(CCCCC2(C#N)CCC2)CC1 ZINC000930069409 694083088 /nfs/dbraw/zinc/08/30/88/694083088.db2.gz ZCMDXFHRNNDAQW-UHFFFAOYSA-N 0 3 301.438 2.406 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cnc(C(C)C)nc2C)C1 ZINC001015800359 687426536 /nfs/dbraw/zinc/42/65/36/687426536.db2.gz PMCZXNUYUAZZLG-CQSZACIVSA-N 0 3 302.422 2.289 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001015818086 687431850 /nfs/dbraw/zinc/43/18/50/687431850.db2.gz WKILAACFCUENBR-RYQLBKOJSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001015843538 687439280 /nfs/dbraw/zinc/43/92/80/687439280.db2.gz OQPWRMXPSHSBTI-PXNSSMCTSA-N 0 3 310.441 2.494 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001015909389 687461386 /nfs/dbraw/zinc/46/13/86/687461386.db2.gz YUTVPIXYFPWHSM-ZDUSSCGKSA-N 0 3 312.373 2.117 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)nn1CCCCC ZINC000930266518 694123350 /nfs/dbraw/zinc/12/33/50/694123350.db2.gz XPKBRGMXZZDQJL-UHFFFAOYSA-N 0 3 319.453 2.458 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(c3ccccn3)CC2)CC1 ZINC001016623888 687667326 /nfs/dbraw/zinc/66/73/26/687667326.db2.gz GSGROEIVFGGYSA-KRWDZBQOSA-N 0 3 323.440 2.107 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001016632113 687669584 /nfs/dbraw/zinc/66/95/84/687669584.db2.gz MKDDFQRPFGBVSB-KSZLIROESA-N 0 3 323.440 2.179 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2c(C)cccc2C)CC1 ZINC001016643694 687672944 /nfs/dbraw/zinc/67/29/44/687672944.db2.gz SAEUJABJASZZOX-SFHVURJKSA-N 0 3 310.441 2.450 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc3occc3[nH]2)CC1 ZINC001016652771 687675085 /nfs/dbraw/zinc/67/50/85/687675085.db2.gz WUVUGXFLAGBWIJ-INIZCTEOSA-N 0 3 311.385 2.369 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001016680535 687680766 /nfs/dbraw/zinc/68/07/66/687680766.db2.gz AKSRZYWGMBFYSI-QGZVFWFLSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2nc(Cl)sc2C)CC1 ZINC001016726073 687691198 /nfs/dbraw/zinc/69/11/98/687691198.db2.gz LTNBPSSOMSMQGR-LLVKDONJSA-N 0 3 323.849 2.322 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ncc(C)cc2C)CC1 ZINC001016741416 687693626 /nfs/dbraw/zinc/69/36/26/687693626.db2.gz VRSLCYPCVFIBBU-MRXNPFEDSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)nc2C2CC2)CC1 ZINC001016755366 687696505 /nfs/dbraw/zinc/69/65/05/687696505.db2.gz WHKKMJJOVQDKML-QGZVFWFLSA-N 0 3 323.440 2.485 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001016846491 687717155 /nfs/dbraw/zinc/71/71/55/687717155.db2.gz QTUVBOHYSYKODB-MRXNPFEDSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(OC)c2C)CC1 ZINC001016853056 687719170 /nfs/dbraw/zinc/71/91/70/687719170.db2.gz FFEZBNIUDACYAX-QGZVFWFLSA-N 0 3 312.413 2.221 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(OCC)c2)CC1 ZINC001016853683 687719235 /nfs/dbraw/zinc/71/92/35/687719235.db2.gz HFAWHHCXDFUAGG-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3c(c2)C[C@H](C)O3)CC1 ZINC001016875689 687725041 /nfs/dbraw/zinc/72/50/41/687725041.db2.gz BNCZCSQOFPOKLH-KSSFIOAISA-N 0 3 324.424 2.228 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001016875687 687725168 /nfs/dbraw/zinc/72/51/68/687725168.db2.gz BNCZCSQOFPOKLH-KDOFPFPSSA-N 0 3 324.424 2.228 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC001016901728 687730476 /nfs/dbraw/zinc/73/04/76/687730476.db2.gz FZFARADJFIMPMI-KRWDZBQOSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(F)cccc2F)CC1 ZINC001016945694 687740710 /nfs/dbraw/zinc/74/07/10/687740710.db2.gz BUXZNJSTDBFFFZ-CQSZACIVSA-N 0 3 304.340 2.182 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC001016963993 687744068 /nfs/dbraw/zinc/74/40/68/687744068.db2.gz UPWYAZGQDQRAPA-IBGZPJMESA-N 0 3 322.452 2.322 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001016991738 687751461 /nfs/dbraw/zinc/75/14/61/687751461.db2.gz FIKVUAFOIKKPGH-RFSXOUPVSA-N 0 3 312.457 2.273 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001017689173 687939082 /nfs/dbraw/zinc/93/90/82/687939082.db2.gz FUJPCZNVEPOBST-MWDXBVQZSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(F)cc(OC)cc1Cl ZINC000868581724 688066432 /nfs/dbraw/zinc/06/64/32/688066432.db2.gz LUJDOAQTOLNJKJ-UHFFFAOYSA-N 0 3 312.772 2.173 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC001019119114 688287534 /nfs/dbraw/zinc/28/75/34/688287534.db2.gz YZSUZMIFLQZUAY-INIZCTEOSA-N 0 3 304.393 2.376 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001019157356 688292037 /nfs/dbraw/zinc/29/20/37/688292037.db2.gz HXDUDJQSYBNUML-WFASDCNBSA-N 0 3 302.805 2.194 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cn(C)nc2C)C1 ZINC001019232382 688303375 /nfs/dbraw/zinc/30/33/75/688303375.db2.gz YICQEYKHRQQJMM-HNNXBMFYSA-N 0 3 304.438 2.021 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(COC(C)C)cc2)C1 ZINC001019761623 688407290 /nfs/dbraw/zinc/40/72/90/688407290.db2.gz QCECFWJOMJYRDM-KRWDZBQOSA-N 0 3 300.402 2.049 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001020213197 688485999 /nfs/dbraw/zinc/48/59/99/688485999.db2.gz ZAWYLJAFEBVIDT-HDJSIYSDSA-N 0 3 323.824 2.472 20 30 DEEDHN CCO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CCOCC1 ZINC000870135677 688494312 /nfs/dbraw/zinc/49/43/12/688494312.db2.gz BNROSTLLOQFSSD-YOEHRIQHSA-N 0 3 317.389 2.101 20 30 DEEDHN N#CC(C(=O)C[C@@H]1Cc2ccccc2O1)C(=O)NC1CCCC1 ZINC000870159965 688501911 /nfs/dbraw/zinc/50/19/11/688501911.db2.gz UTKDBNSZRVSFNE-GJZGRUSLSA-N 0 3 312.369 2.148 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)Nc1cc(CC#N)ccn1 ZINC000871734833 688855072 /nfs/dbraw/zinc/85/50/72/688855072.db2.gz FWPZERCIVZIFKS-UHFFFAOYSA-N 0 3 301.394 2.097 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCCC[C@H]2C=CCC2)nc1 ZINC000872248791 688963576 /nfs/dbraw/zinc/96/35/76/688963576.db2.gz WJVLSTOWIJGQTB-AWEZNQCLSA-N 0 3 319.430 2.063 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619213 688964722 /nfs/dbraw/zinc/96/47/22/688964722.db2.gz NWZMQNBQESVHNF-ZDUSSCGKSA-N 0 3 308.385 2.309 20 30 DEEDHN Cc1cccc(CN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001031619355 688964857 /nfs/dbraw/zinc/96/48/57/688964857.db2.gz VBMCRIOGDQVENK-UHFFFAOYSA-N 0 3 308.385 2.057 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001032142819 689070602 /nfs/dbraw/zinc/07/06/02/689070602.db2.gz AYJKJAPSWJZAHK-UHFFFAOYSA-N 0 3 316.298 2.481 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2ncccc2OC(C)C)C1 ZINC001032158129 689073954 /nfs/dbraw/zinc/07/39/54/689073954.db2.gz GDNUNIXWZDDCTR-UHFFFAOYSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1ccnc1CC ZINC001032413086 689143989 /nfs/dbraw/zinc/14/39/89/689143989.db2.gz BDXUNTMFWZGONN-PMPSAXMXSA-N 0 3 316.449 2.258 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccncc21 ZINC001032541519 689180316 /nfs/dbraw/zinc/18/03/16/689180316.db2.gz XDNJOPQMNJLARC-KBPBESRZSA-N 0 3 308.385 2.105 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCOC2)CC1 ZINC001032606013 689199012 /nfs/dbraw/zinc/19/90/12/689199012.db2.gz MGFPAXKXQNYQHU-NJAFHUGGSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCCO2)C1 ZINC001032614805 689202663 /nfs/dbraw/zinc/20/26/63/689202663.db2.gz ZQNOZLGNHQTKFN-JYJNAYRXSA-N 0 3 304.434 2.197 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(OCC)C2)C1 ZINC001032614452 689202748 /nfs/dbraw/zinc/20/27/48/689202748.db2.gz QOBHCNBRCBFZKA-YZUHTNEWSA-N 0 3 318.461 2.443 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)c1 ZINC001032617168 689203158 /nfs/dbraw/zinc/20/31/58/689203158.db2.gz OHIGBHKCLYBNFS-IRXDYDNUSA-N 0 3 311.429 2.398 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032677752 689222030 /nfs/dbraw/zinc/22/20/30/689222030.db2.gz PVVNLDIXWNLSIY-QAETUUGQSA-N 0 3 304.434 2.053 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)nn1C ZINC001032710500 689232638 /nfs/dbraw/zinc/23/26/38/689232638.db2.gz CODMYEJHLUMGKL-GJZGRUSLSA-N 0 3 316.449 2.408 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2c[nH]nc2c1 ZINC001032760185 689250311 /nfs/dbraw/zinc/25/03/11/689250311.db2.gz PRAOFAMCYSSDQV-IRXDYDNUSA-N 0 3 324.428 2.357 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3C(C)C)cc1 ZINC001032807084 689266699 /nfs/dbraw/zinc/26/66/99/689266699.db2.gz XKXOOANNRIKLAZ-IRXDYDNUSA-N 0 3 314.429 2.487 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCOCC2 ZINC001032822148 689272109 /nfs/dbraw/zinc/27/21/09/689272109.db2.gz GDUWXSNVEIXYBJ-JYJNAYRXSA-N 0 3 304.434 2.054 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(OC)cc2C)C1 ZINC001033108404 689389977 /nfs/dbraw/zinc/38/99/77/689389977.db2.gz QTUGMMYWAOVEPB-INIZCTEOSA-N 0 3 302.418 2.265 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001033204904 689424630 /nfs/dbraw/zinc/42/46/30/689424630.db2.gz VNLIMXPTGKHDQX-AWEZNQCLSA-N 0 3 318.421 2.004 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccnc2C(F)F)C1 ZINC001033251065 689438933 /nfs/dbraw/zinc/43/89/33/689438933.db2.gz OIETXHVNPOFJLN-LBPRGKRZSA-N 0 3 307.344 2.189 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc3ncccc23)C1 ZINC001033254735 689439725 /nfs/dbraw/zinc/43/97/25/689439725.db2.gz GDEBBHGORMIYGL-MRXNPFEDSA-N 0 3 309.413 2.496 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2nc3c(s2)CCC3)C1 ZINC001033262895 689442805 /nfs/dbraw/zinc/44/28/05/689442805.db2.gz MYTURIFRRGVCRY-LBPRGKRZSA-N 0 3 305.447 2.354 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ocnc2C(F)(F)F)C1 ZINC001033293443 689451375 /nfs/dbraw/zinc/45/13/75/689451375.db2.gz MEAFRQFAFQPNTK-JTQLQIEISA-N 0 3 317.311 2.416 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccnc3ccncc32)C1 ZINC001033304578 689454685 /nfs/dbraw/zinc/45/46/85/689454685.db2.gz XLHLLRIORZVVKN-CQSZACIVSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001033343058 689469714 /nfs/dbraw/zinc/46/97/14/689469714.db2.gz IZYCJELPZSWHRG-ZBFHGGJFSA-N 0 3 312.413 2.352 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)c2c(C)noc2C)C1 ZINC001033344218 689470834 /nfs/dbraw/zinc/47/08/34/689470834.db2.gz PYCFDBXVZHQADT-HNNXBMFYSA-N 0 3 317.433 2.125 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001033482104 689517232 /nfs/dbraw/zinc/51/72/32/689517232.db2.gz IKOSCKGKCZLZEC-GDAAHCPNSA-N 0 3 308.425 2.128 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(OC(C)C)n2)C1 ZINC001033541227 689535520 /nfs/dbraw/zinc/53/55/20/689535520.db2.gz QFAHICLOSVBSGA-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(c3ccccc3F)CC2)C1 ZINC001033547294 689537647 /nfs/dbraw/zinc/53/76/47/689537647.db2.gz JCAVNXWUVUJFOC-HNNXBMFYSA-N 0 3 314.404 2.413 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(OC)cc2F)C1 ZINC001033552318 689539362 /nfs/dbraw/zinc/53/93/62/689539362.db2.gz VJSBFGVUZXGKMD-HNNXBMFYSA-N 0 3 320.408 2.486 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001033555859 689541365 /nfs/dbraw/zinc/54/13/65/689541365.db2.gz WAXLYMLYZAJIGH-HZPDHXFCSA-N 0 3 324.428 2.153 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2F)C1 ZINC001033601174 689555783 /nfs/dbraw/zinc/55/57/83/689555783.db2.gz KMCJDDKPBFUFCN-MRXNPFEDSA-N 0 3 302.393 2.233 20 30 DEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033706402 689589841 /nfs/dbraw/zinc/58/98/41/689589841.db2.gz FXSDJDHEBRXRGO-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001033730154 689599749 /nfs/dbraw/zinc/59/97/49/689599749.db2.gz SAVATPICQKZRAU-IRXDYDNUSA-N 0 3 314.429 2.407 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccnn2CCC)C1 ZINC001033841583 689633982 /nfs/dbraw/zinc/63/39/82/689633982.db2.gz ADMFXSJWIBBZDI-HNNXBMFYSA-N 0 3 304.438 2.406 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccnn2C(C)C)C1 ZINC001033842151 689634337 /nfs/dbraw/zinc/63/43/37/689634337.db2.gz GGCLHXIFHCWBML-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2c(C)nn(C)c2C)C1 ZINC001033917597 689661051 /nfs/dbraw/zinc/66/10/51/689661051.db2.gz IWKJUOCYOWPCFL-OAHLLOKOSA-N 0 3 304.438 2.149 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033939302 689668361 /nfs/dbraw/zinc/66/83/61/689668361.db2.gz GYVREVAQWLPXGK-SJLPKXTDSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001033965390 689675209 /nfs/dbraw/zinc/67/52/09/689675209.db2.gz AIJIIOTYDKVWFD-CQSZACIVSA-N 0 3 302.422 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnn(CCC)c2C)C1 ZINC001033997563 689687740 /nfs/dbraw/zinc/68/77/40/689687740.db2.gz DAWBCRHTKOPWGH-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN CC(C)=CCN1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165190 689751026 /nfs/dbraw/zinc/75/10/26/689751026.db2.gz VDMNKLYLQYGTLO-OAHLLOKOSA-N 0 3 300.406 2.437 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001034236640 689775430 /nfs/dbraw/zinc/77/54/30/689775430.db2.gz KUTNBTNLMNWONG-AWEZNQCLSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001034336903 689813123 /nfs/dbraw/zinc/81/31/23/689813123.db2.gz LEMIRSPHONEQAI-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccnc2OC)C1 ZINC001034386846 689830333 /nfs/dbraw/zinc/83/03/33/689830333.db2.gz UQKLLTOVMBVZSO-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034464878 689859860 /nfs/dbraw/zinc/85/98/60/689859860.db2.gz HTERNHJFKWJPGU-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001034474936 689864282 /nfs/dbraw/zinc/86/42/82/689864282.db2.gz TWFCENFTZVPYKA-KRWDZBQOSA-N 0 3 313.445 2.449 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000876586149 689866884 /nfs/dbraw/zinc/86/68/84/689866884.db2.gz FXJFABDNVNDNOT-DGCLKSJQSA-N 0 3 324.808 2.323 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000876586147 689867197 /nfs/dbraw/zinc/86/71/97/689867197.db2.gz FXJFABDNVNDNOT-AAEUAGOBSA-N 0 3 324.808 2.323 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001034483734 689868149 /nfs/dbraw/zinc/86/81/49/689868149.db2.gz URTDFDVWFGZLSB-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2c(NC(C)=O)cccc21 ZINC000876612061 689876181 /nfs/dbraw/zinc/87/61/81/689876181.db2.gz AMVUDCPJGLDYBZ-ZDUSSCGKSA-N 0 3 321.808 2.394 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001034511920 689880309 /nfs/dbraw/zinc/88/03/09/689880309.db2.gz GFCPETXKWGNSRS-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000876628685 689881299 /nfs/dbraw/zinc/88/12/99/689881299.db2.gz RYCNPVYXDYTTGT-WDEREUQCSA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000876631274 689882255 /nfs/dbraw/zinc/88/22/55/689882255.db2.gz RTIHBJABWFCCPT-LBPRGKRZSA-N 0 3 324.808 2.279 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000876631273 689882265 /nfs/dbraw/zinc/88/22/65/689882265.db2.gz RTIHBJABWFCCPT-GFCCVEGCSA-N 0 3 324.808 2.279 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000876636417 689883783 /nfs/dbraw/zinc/88/37/83/689883783.db2.gz XKBBKZFYLUJYOJ-OAHLLOKOSA-N 0 3 318.808 2.001 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000876675939 689898218 /nfs/dbraw/zinc/89/82/18/689898218.db2.gz PVCMDHISVCRCNP-GXTWGEPZSA-N 0 3 308.809 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 ZINC000876682448 689900123 /nfs/dbraw/zinc/90/01/23/689900123.db2.gz KBWWMLGGYCNFHS-JQWIXIFHSA-N 0 3 321.808 2.102 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC000876682917 689901026 /nfs/dbraw/zinc/90/10/26/689901026.db2.gz NTLLMZHHAFTQGO-RISCZKNCSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000876691928 689904543 /nfs/dbraw/zinc/90/45/43/689904543.db2.gz TVQLIYNPWVDNGA-RXMQYKEDSA-N 0 3 314.720 2.051 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(CCOC)nc2c1 ZINC000876692938 689905167 /nfs/dbraw/zinc/90/51/67/689905167.db2.gz KHGCLVQHWCSNBQ-NSHDSACASA-N 0 3 323.780 2.425 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000876703945 689909607 /nfs/dbraw/zinc/90/96/07/689909607.db2.gz PFGZOXCVJFNEGP-SNPRPXQTSA-N 0 3 310.825 2.127 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C)c2cc(F)ccc21 ZINC000876769242 689932053 /nfs/dbraw/zinc/93/20/53/689932053.db2.gz UTAXUBXKAKAAEI-GFCCVEGCSA-N 0 3 311.788 2.469 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000876895556 689966947 /nfs/dbraw/zinc/96/69/47/689966947.db2.gz DTOFNKUVWKYUKI-STQMWFEESA-N 0 3 318.751 2.238 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000876898099 689967600 /nfs/dbraw/zinc/96/76/00/689967600.db2.gz ZNWFNQZOZXSEHK-LBPRGKRZSA-N 0 3 318.808 2.457 20 30 DEEDHN CCOC(=O)N1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000876917872 689972293 /nfs/dbraw/zinc/97/22/93/689972293.db2.gz GPYGRQHXCPNJFR-UHFFFAOYSA-N 0 3 322.796 2.317 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)COc1c(F)cccc1F ZINC000876966537 689985457 /nfs/dbraw/zinc/98/54/57/689985457.db2.gz SZXBFHOZOZWEED-JOYOIKCWSA-N 0 3 318.751 2.318 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cccc(OC)n1 ZINC001035015123 690009927 /nfs/dbraw/zinc/00/99/27/690009927.db2.gz VQGXDDONXXLMPY-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC[C@H](CO)c2ccccc2)c1 ZINC000877074101 690013431 /nfs/dbraw/zinc/01/34/31/690013431.db2.gz ZGINXBVJHAIWCS-OAHLLOKOSA-N 0 3 301.777 2.472 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000877252383 690057259 /nfs/dbraw/zinc/05/72/59/690057259.db2.gz MVLNQMSCCIRRRM-HUUCEWRRSA-N 0 3 324.808 2.065 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnn(CC)c1)CC2 ZINC001035673904 690148985 /nfs/dbraw/zinc/14/89/85/690148985.db2.gz XEAKQTOLBIVNGH-UHFFFAOYSA-N 0 3 302.422 2.017 20 30 DEEDHN C=CCn1cc(CN[C@@H](C)CC[P@](C)(=O)OCC)nn1 ZINC000877598546 690163824 /nfs/dbraw/zinc/16/38/24/690163824.db2.gz OVXWQNKORNOUIL-FKIZINRSSA-N 0 3 300.343 2.277 20 30 DEEDHN C=CCN1CC2(C1)CCN(C(=O)c1ccn3ccnc3c1)CC2 ZINC001035748448 690166922 /nfs/dbraw/zinc/16/69/22/690166922.db2.gz DCOLPEJGXVLJOB-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1C1CC1)CC2 ZINC001035753316 690168539 /nfs/dbraw/zinc/16/85/39/690168539.db2.gz QQOYGHGDULTDOS-SJORKVTESA-N 0 3 318.461 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(c3cccnc3)CC1)CC2 ZINC001035773052 690172499 /nfs/dbraw/zinc/17/24/99/690172499.db2.gz PHWWIIDJBQMGQS-UHFFFAOYSA-N 0 3 323.440 2.061 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cn(CC)nc1C)CC2 ZINC001035808726 690182403 /nfs/dbraw/zinc/18/24/03/690182403.db2.gz XCJGQQCSIDYUSV-UHFFFAOYSA-N 0 3 316.449 2.326 20 30 DEEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)CC1(C)OCCO1 ZINC000877671028 690184975 /nfs/dbraw/zinc/18/49/75/690184975.db2.gz YSOOIOXADLLFRV-LLVKDONJSA-N 0 3 309.797 2.485 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cnoc1C1CC1)CC2 ZINC001035831805 690187617 /nfs/dbraw/zinc/18/76/17/690187617.db2.gz UHBGNTXZBSZYOS-UHFFFAOYSA-N 0 3 313.401 2.113 20 30 DEEDHN C#Cc1ccc(CN2CCc3c(CC(N)=O)cccc3C2)cc1 ZINC000877677620 690188133 /nfs/dbraw/zinc/18/81/33/690188133.db2.gz BMYYXRKARWJKBO-UHFFFAOYSA-N 0 3 304.393 2.254 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1c[nH]c3cccnc13)CC2 ZINC001035835119 690188237 /nfs/dbraw/zinc/18/82/37/690188237.db2.gz MYPSKVPQKJEEAE-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN CCOC(=O)/C=C/CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000931259070 694349931 /nfs/dbraw/zinc/34/99/31/694349931.db2.gz WLOOHWKNFHJYDE-ONEGZZNKSA-N 0 3 314.385 2.273 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ncccc1Cl)CC2 ZINC001035841520 690190628 /nfs/dbraw/zinc/19/06/28/690190628.db2.gz OKRZLQWZKUXNGZ-UHFFFAOYSA-N 0 3 317.820 2.296 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)Cc1ccccc1F)CC2 ZINC001035846686 690192002 /nfs/dbraw/zinc/19/20/02/690192002.db2.gz GFLIJYNHMFZRIW-UHFFFAOYSA-N 0 3 314.404 2.316 20 30 DEEDHN C[C@H]1CN(C(=O)c2cnco2)CC[C@H]1NCc1ccccc1C#N ZINC001036133885 690271174 /nfs/dbraw/zinc/27/11/74/690271174.db2.gz KTGHYJSKMVJAFV-XJKSGUPXSA-N 0 3 324.384 2.187 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccn(CC)n2)[C@H](C)C1 ZINC001036141057 690273478 /nfs/dbraw/zinc/27/34/78/690273478.db2.gz FRSIHBXCXPYHNV-GDBMZVCRSA-N 0 3 318.465 2.442 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ccn(C)n3)[C@H](C)C2)C1 ZINC001036168588 690280006 /nfs/dbraw/zinc/28/00/06/690280006.db2.gz IFQVRHFVGVEJCC-GDBMZVCRSA-N 0 3 316.449 2.103 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H]1[C@H](C)CCCN1C(C)=O ZINC001036482443 690362416 /nfs/dbraw/zinc/36/24/16/690362416.db2.gz CRBFDLODBKBBDR-CXAGYDPISA-N 0 3 315.417 2.303 20 30 DEEDHN CC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccc(C#N)cc1F ZINC001036487003 690364617 /nfs/dbraw/zinc/36/46/17/690364617.db2.gz PIQOBCDUBYXODD-SJKOYZFVSA-N 0 3 303.381 2.434 20 30 DEEDHN CC[C@@H]1CN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C[C@@H]1O ZINC000878321142 690378605 /nfs/dbraw/zinc/37/86/05/690378605.db2.gz BYNQBXYSWIWBGU-BPQIPLTHSA-N 0 3 300.402 2.130 20 30 DEEDHN 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/nfs/dbraw/zinc/12/38/05/693123805.db2.gz CKCIMCJWDGYBFH-JKSUJKDBSA-N 0 3 316.449 2.115 20 30 DEEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cnnn1C ZINC000924810774 693188674 /nfs/dbraw/zinc/18/86/74/693188674.db2.gz MUGGWOAGLPFJEF-GFCCVEGCSA-N 0 3 301.419 2.271 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001050540373 693203349 /nfs/dbraw/zinc/20/33/49/693203349.db2.gz JBDOZFVSRLSLDX-CQSZACIVSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCC[C@H](OC)C3)C2)CC1 ZINC001050639721 693221523 /nfs/dbraw/zinc/22/15/23/693221523.db2.gz XNKDZVYIQXANOJ-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3csc(Cl)n3)C2)CC1 ZINC001050720610 693237723 /nfs/dbraw/zinc/23/77/23/693237723.db2.gz SBNUCRSLWNWWTA-UHFFFAOYSA-N 0 3 323.849 2.358 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001050800514 693253003 /nfs/dbraw/zinc/25/30/03/693253003.db2.gz VYWKLPVKKAZKMU-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001050893898 693265325 /nfs/dbraw/zinc/26/53/25/693265325.db2.gz YKDKJHUFUIFOKW-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCC1(NC(=O)c2cccc(CN(C)C)c2)CCOCC1 ZINC000925429205 693272344 /nfs/dbraw/zinc/27/23/44/693272344.db2.gz OBFGUZVIFNWIDV-UHFFFAOYSA-N 0 3 300.402 2.051 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)c3cncn3C)cccc2C1 ZINC001051291989 693331624 /nfs/dbraw/zinc/33/16/24/693331624.db2.gz IQSKNGVPSGSKCZ-UHFFFAOYSA-N 0 3 324.428 2.284 20 30 DEEDHN C[C@@H]1[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO[C@H]1C ZINC000926115458 693398341 /nfs/dbraw/zinc/39/83/41/693398341.db2.gz KLKBLRHEBOECPO-CLROSIBMSA-N 0 3 313.401 2.067 20 30 DEEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(CCC#N)cc1 ZINC000926195443 693413439 /nfs/dbraw/zinc/41/34/39/693413439.db2.gz XYWNEVFWMIHPSR-DOMZBBRYSA-N 0 3 316.405 2.377 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)CC1 ZINC001051982153 693423353 /nfs/dbraw/zinc/42/33/53/693423353.db2.gz 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693482087 /nfs/dbraw/zinc/48/20/87/693482087.db2.gz FAEFJPHZZSAYPO-QGZVFWFLSA-N 0 3 323.400 2.066 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccn3)CC2)[nH]1 ZINC001052319311 693506178 /nfs/dbraw/zinc/50/61/78/693506178.db2.gz CJMBVRLYEVIOLW-AWEZNQCLSA-N 0 3 323.400 2.066 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC001052419556 693529467 /nfs/dbraw/zinc/52/94/67/693529467.db2.gz PERZSXWOXJVSEB-CYBMUJFWSA-N 0 3 324.375 2.194 20 30 DEEDHN C[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1cc(C#N)ccn1 ZINC000926957518 693535599 /nfs/dbraw/zinc/53/55/99/693535599.db2.gz JBTAHMWYMJPXJB-MFKMUULPSA-N 0 3 300.328 2.486 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc3oc(C)nc3c2)CC1 ZINC001052482919 693544458 /nfs/dbraw/zinc/54/44/58/693544458.db2.gz CQNXZFAOUGJFIN-HNNXBMFYSA-N 0 3 311.385 2.354 20 30 DEEDHN C[C@H](N[C@@H]1C[C@H](O)C12CCOCC2)c1ccc(C#N)cc1F ZINC000927157207 693562740 /nfs/dbraw/zinc/56/27/40/693562740.db2.gz UDJLHYFVPHRNFZ-XZJROXQQSA-N 0 3 304.365 2.278 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)CC1 ZINC001052566887 693570622 /nfs/dbraw/zinc/57/06/22/693570622.db2.gz QWMWHSDRTKUGGA-SJLPKXTDSA-N 0 3 314.404 2.459 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)CC1 ZINC001052599169 693575863 /nfs/dbraw/zinc/57/58/63/693575863.db2.gz SQSWFBQQUJKDQC-MRXNPFEDSA-N 0 3 311.429 2.485 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ncccc2OCCC)CC1 ZINC001052680473 693594580 /nfs/dbraw/zinc/59/45/80/693594580.db2.gz LXSZLZCEDKYSMF-OAHLLOKOSA-N 0 3 315.417 2.088 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccnc(OCC)c2)CC1 ZINC001052694743 693597563 /nfs/dbraw/zinc/59/75/63/693597563.db2.gz YIZDXRYQTPATIA-INIZCTEOSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(OC)c2)CC1 ZINC001052736860 693606738 /nfs/dbraw/zinc/60/67/38/693606738.db2.gz BKHGHLFKSRGYLM-CQSZACIVSA-N 0 3 304.365 2.052 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)COC3)CC1 ZINC001052788087 693619797 /nfs/dbraw/zinc/61/97/97/693619797.db2.gz PCUBAGBSGMJOAP-SFHVURJKSA-N 0 3 312.413 2.324 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)CC1 ZINC001052836844 693629178 /nfs/dbraw/zinc/62/91/78/693629178.db2.gz MTBPLHWYWJEIEI-OAHLLOKOSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc3ccncc3c2)CC1 ZINC001052843109 693632051 /nfs/dbraw/zinc/63/20/51/693632051.db2.gz BPLYMYACUDYYEC-SFHVURJKSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2c(C)nn(CCC)c2C)CC1 ZINC001052849293 693633561 /nfs/dbraw/zinc/63/35/61/693633561.db2.gz QVJHNACBMQMPTO-MRXNPFEDSA-N 0 3 316.449 2.127 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2C)CC1 ZINC001052856313 693634329 /nfs/dbraw/zinc/63/43/29/693634329.db2.gz BYNRXNCUHPXDLD-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C2CC3(C2)CCOCC3)CC1 ZINC001052865313 693636673 /nfs/dbraw/zinc/63/66/73/693636673.db2.gz MHYLBOCMAZQHHZ-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(C[C@H](F)CC)CC2)cn1 ZINC001052879408 693639627 /nfs/dbraw/zinc/63/96/27/693639627.db2.gz 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/nfs/dbraw/zinc/68/22/91/693682291.db2.gz RFVZAVVZBCBYDM-UHFFFAOYSA-N 0 3 313.401 2.091 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2nc(C)c[nH]2)C1 ZINC001053099131 693688872 /nfs/dbraw/zinc/68/88/72/693688872.db2.gz AIOGEENAGPCSEN-HZPDHXFCSA-N 0 3 314.433 2.058 20 30 DEEDHN C[C@H](COCC1CCCCC1)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000932426126 694612105 /nfs/dbraw/zinc/61/21/05/694612105.db2.gz DPGUWZHFZGYTEE-RDTXWAMCSA-N 0 3 321.465 2.370 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001332299793 1149846255 /nfs/dbraw/zinc/84/62/55/1149846255.db2.gz CKHRPIHVIODJQY-GJZGRUSLSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)CC[C@H]2CCCCO2)CC1 ZINC001332960328 1149937330 /nfs/dbraw/zinc/93/73/30/1149937330.db2.gz QONQKIKEQSPHOA-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1csc(C[C@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)n1 ZINC001333281461 1150025541 /nfs/dbraw/zinc/02/55/41/1150025541.db2.gz ZZQYAWYDJSWTES-ZIAGYGMSSA-N 0 3 320.462 2.254 20 30 DEEDHN C=CCc1cc(OC)cc(CN(C)CCN(C)C(=O)OC)c1O ZINC001333721801 1150083528 /nfs/dbraw/zinc/08/35/28/1150083528.db2.gz LUOZLQLZEIWWHR-UHFFFAOYSA-N 0 3 322.405 2.259 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001335521470 1150442074 /nfs/dbraw/zinc/44/20/74/1150442074.db2.gz HOLXQUDNFBHRHM-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC001351273210 1151509391 /nfs/dbraw/zinc/50/93/91/1151509391.db2.gz MRSXORJPLNEJHF-UHFFFAOYSA-N 0 3 311.389 2.153 20 30 DEEDHN C[C@H](CNC(=O)c1ccnc(F)c1)NCc1ccc(C#N)s1 ZINC001480436004 1151804342 /nfs/dbraw/zinc/80/43/42/1151804342.db2.gz WYDILLREFULGNQ-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC001353527636 1151836244 /nfs/dbraw/zinc/83/62/44/1151836244.db2.gz WKUIOEDZXCJDOF-KGLIPLIRSA-N 0 3 319.453 2.255 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N[C@H](C)C(=O)N1CCCCC1 ZINC001480515122 1151836589 /nfs/dbraw/zinc/83/65/89/1151836589.db2.gz 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1152805697 /nfs/dbraw/zinc/80/56/97/1152805697.db2.gz ALYNIIJQQJXOLN-KBXCAEBGSA-N 0 3 310.401 2.046 20 30 DEEDHN Cc1ncccc1CNC1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC001380855605 1152866861 /nfs/dbraw/zinc/86/68/61/1152866861.db2.gz HGLKOXARNWEVET-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H](C)[N-]C(=O)C(C)(F)F ZINC001381347100 1153013343 /nfs/dbraw/zinc/01/33/43/1153013343.db2.gz HMNXECXBHBQCQR-ZJUUUORDSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001381413436 1153047566 /nfs/dbraw/zinc/04/75/66/1153047566.db2.gz OPQKMDKXUMGHCS-UWVGGRQHSA-N 0 3 320.393 2.384 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(CC)nnc2C)C1 ZINC001381956803 1153288547 /nfs/dbraw/zinc/28/85/47/1153288547.db2.gz KNOAOLYNLQMMMF-MQMHXKEQSA-N 0 3 322.840 2.198 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001381963450 1153291359 /nfs/dbraw/zinc/29/13/59/1153291359.db2.gz YTUWTLNJQIZXPK-HDJSIYSDSA-N 0 3 324.856 2.390 20 30 DEEDHN CC[C@H](C)OCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001382056368 1153336633 /nfs/dbraw/zinc/33/66/33/1153336633.db2.gz OIDSVTMHEQDPPF-STQMWFEESA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@H](Cc1ccno1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001363901093 1153706874 /nfs/dbraw/zinc/70/68/74/1153706874.db2.gz HGFNACZHKHDCSG-DYVFJYSZSA-N 0 3 324.384 2.262 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CSC(C)C)C1 ZINC001389943980 1155477822 /nfs/dbraw/zinc/47/78/22/1155477822.db2.gz NKYSHHNGKVDXFA-PHIMTYICSA-N 0 3 321.284 2.273 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NCc1ccc(C#N)s1 ZINC001390463806 1155735924 /nfs/dbraw/zinc/73/59/24/1155735924.db2.gz ZAQHLHHSASLYGV-NDBYEHHHSA-N 0 3 303.431 2.260 20 30 DEEDHN C[C@@H](CNC(=O)[C@H](C)n1cccc1)NCc1ccc(C#N)s1 ZINC001371151509 1155739782 /nfs/dbraw/zinc/73/97/82/1155739782.db2.gz SZRJDFULRKEQOP-STQMWFEESA-N 0 3 316.430 2.277 20 30 DEEDHN C[C@H](CNC(=O)CC(C)(F)F)NCc1ccc(C#N)s1 ZINC001371341695 1155828365 /nfs/dbraw/zinc/82/83/65/1155828365.db2.gz CUTCVIQECKHQHF-SECBINFHSA-N 0 3 301.362 2.259 20 30 DEEDHN Cc1conc1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001390714699 1155847406 /nfs/dbraw/zinc/84/74/06/1155847406.db2.gz MQNBGTAVTKYHEW-ZDUSSCGKSA-N 0 3 312.373 2.153 20 30 DEEDHN CCN(CCNC(=O)C1CCC1)Cc1ccc(OCC#N)cc1 ZINC001390872308 1155898217 /nfs/dbraw/zinc/89/82/17/1155898217.db2.gz CPESZXPNOWNMFD-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1COc2ccccc21 ZINC001371891078 1156055581 /nfs/dbraw/zinc/05/55/81/1156055581.db2.gz WOVPSOZPGBEDQE-TZMCWYRMSA-N 0 3 308.809 2.400 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001391300399 1156321492 /nfs/dbraw/zinc/32/14/92/1156321492.db2.gz RXJYTFBXXLNCGY-LSDHHAIUSA-N 0 3 310.401 2.046 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001391300397 1156321862 /nfs/dbraw/zinc/32/18/62/1156321862.db2.gz RXJYTFBXXLNCGY-GJZGRUSLSA-N 0 3 310.401 2.046 20 30 DEEDHN CCN(CCNC(=O)c1ocnc1C)Cc1ccc(C#N)cc1 ZINC001372295918 1156345838 /nfs/dbraw/zinc/34/58/38/1156345838.db2.gz MHEDLXWVGNXXEC-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NCc1ccc(C#N)c(F)c1 ZINC001391722720 1156741786 /nfs/dbraw/zinc/74/17/86/1156741786.db2.gz UWGZKFKCJNGIDU-CQDKDKBSSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CO[C@@H](C)C2)CCCC1 ZINC001391770959 1156795801 /nfs/dbraw/zinc/79/58/01/1156795801.db2.gz TWNLVTYWYVOUEA-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001391791461 1156803898 /nfs/dbraw/zinc/80/38/98/1156803898.db2.gz ZPEDYCWHELBJRD-IUODEOHRSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCCN2C)CCCC1 ZINC001392014098 1156849310 /nfs/dbraw/zinc/84/93/10/1156849310.db2.gz JMNNSURISMUWJM-AWEZNQCLSA-N 0 3 313.873 2.242 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001392051755 1156857764 /nfs/dbraw/zinc/85/77/64/1156857764.db2.gz BVBSQRXNFPQVCU-SKDRFNHKSA-N 0 3 313.373 2.211 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001403208556 1162820140 /nfs/dbraw/zinc/82/01/40/1162820140.db2.gz WTSDOPNYLVVBBL-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN Cc1conc1C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001392711924 1157363517 /nfs/dbraw/zinc/36/35/17/1157363517.db2.gz NVGYHRYHZLGANJ-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001373875253 1157426261 /nfs/dbraw/zinc/42/62/61/1157426261.db2.gz MRABJBMOBXOZFO-CZUORRHYSA-N 0 3 314.857 2.430 20 30 DEEDHN CC[C@H](C)OCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001392900498 1157528679 /nfs/dbraw/zinc/52/86/79/1157528679.db2.gz GLGTVBNPAPUUOO-AWEZNQCLSA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(C)CCN(CCc2ccccc2F)CC1 ZINC001393058242 1157641202 /nfs/dbraw/zinc/64/12/02/1157641202.db2.gz LZLPOCBDXUXCHL-AWEZNQCLSA-N 0 3 317.408 2.499 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCCC1 ZINC001374162279 1157678268 /nfs/dbraw/zinc/67/82/68/1157678268.db2.gz OBDAMMLJAKFFPY-CHWSQXEVSA-N 0 3 322.840 2.284 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CO[C@H](C)C1 ZINC001394025954 1158171218 /nfs/dbraw/zinc/17/12/18/1158171218.db2.gz QGBXICFFWIPXCC-OLZOCXBDSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001375035420 1158230131 /nfs/dbraw/zinc/23/01/31/1158230131.db2.gz FYRREGXXTUHTIM-NWDGAFQWSA-N 0 3 310.829 2.019 20 30 DEEDHN CC(F)(F)C(=O)[N-][C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001375200345 1158376915 /nfs/dbraw/zinc/37/69/15/1158376915.db2.gz KQHCCGAXDNPHLD-LBPRGKRZSA-N 0 3 313.373 2.259 20 30 DEEDHN CS[C@H](C)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001375398449 1158569188 /nfs/dbraw/zinc/56/91/88/1158569188.db2.gz KFRHMOYXBVVBPL-GFCCVEGCSA-N 0 3 303.431 2.048 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)C2(C)CC2)cc1C#N ZINC001394478638 1158571579 /nfs/dbraw/zinc/57/15/79/1158571579.db2.gz REMSPCXKOXOYMA-ZDUSSCGKSA-N 0 3 315.417 2.303 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)CN(C)C2CCC2)[C@H]1C ZINC001394694723 1158687080 /nfs/dbraw/zinc/68/70/80/1158687080.db2.gz OVCAWQIDKAHCAS-HIFRSBDPSA-N 0 3 313.873 2.192 20 30 DEEDHN COCCN(CCNC(=O)[C@H](C)C#N)[C@@H](C)c1cccc(C)c1 ZINC001394830307 1158806439 /nfs/dbraw/zinc/80/64/39/1158806439.db2.gz SGSLDQFHGNGSIE-CVEARBPZSA-N 0 3 317.433 2.280 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CC ZINC001375616648 1158830044 /nfs/dbraw/zinc/83/00/44/1158830044.db2.gz SYFIKJUHPBSLDE-RRFJBIMHSA-N 0 3 315.889 2.294 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001376398555 1159386308 /nfs/dbraw/zinc/38/63/08/1159386308.db2.gz JCQDVVPVZAOHBD-XYPYZODXSA-N 0 3 319.218 2.272 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)CCc1cncn1C ZINC001376615675 1159603020 /nfs/dbraw/zinc/60/30/20/1159603020.db2.gz XGOVDNRHDVFDQB-HNNXBMFYSA-N 0 3 324.856 2.076 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2(NCc3ccsc3)CCC2)[nH]1 ZINC001376739777 1159748370 /nfs/dbraw/zinc/74/83/70/1159748370.db2.gz QUECBEAHVCFLAQ-UHFFFAOYSA-N 0 3 314.414 2.390 20 30 DEEDHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001376780912 1159793320 /nfs/dbraw/zinc/79/33/20/1159793320.db2.gz QCRSTHBKINMEFY-GLQYFDAESA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2nccn21 ZINC001377046912 1159884639 /nfs/dbraw/zinc/88/46/39/1159884639.db2.gz SXRGCNWQVIQXJF-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(NC(N)=O)cc1 ZINC001377090545 1159896617 /nfs/dbraw/zinc/89/66/17/1159896617.db2.gz GACRSRSUSYNGJM-NSHDSACASA-N 0 3 324.812 2.028 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2cccnc2)C1 ZINC001397599506 1160355582 /nfs/dbraw/zinc/35/55/82/1160355582.db2.gz AVRQSZDYGJMBBD-GASCZTMLSA-N 0 3 307.825 2.251 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)CCC(F)F ZINC001377467584 1160394495 /nfs/dbraw/zinc/39/44/95/1160394495.db2.gz VXMFPEQPUVVCJU-VIFPVBQESA-N 0 3 313.186 2.425 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccc(OCC2CC2)cc1 ZINC001492863272 1160402012 /nfs/dbraw/zinc/40/20/12/1160402012.db2.gz PUIKFBZVGREVEK-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN CC[C@@H](C)CNCc1nc2c(s1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001397808901 1160534530 /nfs/dbraw/zinc/53/45/30/1160534530.db2.gz HQIFAJORFTUWGK-NEPJUHHUSA-N 0 3 320.462 2.323 20 30 DEEDHN CCCN(C(=O)[C@H](C)C#N)C1CCN(CCOC2CCC2)CC1 ZINC001398360110 1160864755 /nfs/dbraw/zinc/86/47/55/1160864755.db2.gz NTTIRFRTQKCVMV-OAHLLOKOSA-N 0 3 321.465 2.418 20 30 DEEDHN CO[C@@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C1CCC1 ZINC001399028860 1161195672 /nfs/dbraw/zinc/19/56/72/1161195672.db2.gz KPQPVRKDUTXBEG-IAQYHMDHSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](CCNC(=O)C[C@@H]1CCCO1)NCc1ccccc1C#N ZINC001399313476 1161340344 /nfs/dbraw/zinc/34/03/44/1161340344.db2.gz HSXQWCFUXPQTHF-YOEHRIQHSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cn1ccc(C(F)F)n1 ZINC001399346472 1161357209 /nfs/dbraw/zinc/35/72/09/1161357209.db2.gz WUPUGPRCNUSFTL-SNVBAGLBSA-N 0 3 320.771 2.058 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2c1OCCO2 ZINC001399348645 1161357893 /nfs/dbraw/zinc/35/78/93/1161357893.db2.gz SELCIYAHWLBNNW-LBPRGKRZSA-N 0 3 324.808 2.308 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccn2nccc12 ZINC001399382890 1161372179 /nfs/dbraw/zinc/37/21/79/1161372179.db2.gz GSQJIZHDHPQGLA-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1c(C)noc1C ZINC001399426281 1161387642 /nfs/dbraw/zinc/38/76/42/1161387642.db2.gz HFNAFLBLVJGQKV-NSHDSACASA-N 0 3 313.829 2.461 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccnn2C)CCCC[C@H]1C ZINC001401040310 1161863487 /nfs/dbraw/zinc/86/34/87/1161863487.db2.gz MIDPWOGUARWWRD-WBMJQRKESA-N 0 3 324.856 2.441 20 30 DEEDHN Cc1cccc(CN(C)CCN(C)C(=O)c2ccc(C#N)[nH]2)c1 ZINC001401364790 1161953040 /nfs/dbraw/zinc/95/30/40/1161953040.db2.gz KCUSIDSNLKQPLP-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001401791291 1162132671 /nfs/dbraw/zinc/13/26/71/1162132671.db2.gz FFILGOWRBZYTDF-HUUCEWRRSA-N 0 3 315.889 2.438 20 30 DEEDHN Cc1ccc(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)cn1 ZINC001401915282 1162180103 /nfs/dbraw/zinc/18/01/03/1162180103.db2.gz FLNCXGPTAMAQAM-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN COCc1cccc(CN(CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001404207776 1163508660 /nfs/dbraw/zinc/50/86/60/1163508660.db2.gz BCRNDTROHDXYIB-AWEZNQCLSA-N 0 3 315.417 2.073 20 30 DEEDHN CC[C@H](CNC(=O)C(C)(F)F)NCc1ccc(C#N)cc1F ZINC001405201541 1164011352 /nfs/dbraw/zinc/01/13/52/1164011352.db2.gz WAJUTOMPBNICJI-GFCCVEGCSA-N 0 3 313.323 2.337 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)C(C)(C)F ZINC001406577426 1164686664 /nfs/dbraw/zinc/68/66/64/1164686664.db2.gz JCMGXPJBRKEOKO-CYBMUJFWSA-N 0 3 321.396 2.274 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001407698563 1165262915 /nfs/dbraw/zinc/26/29/15/1165262915.db2.gz VKTHJICLBIWQTE-AVGNSLFASA-N 0 3 306.435 2.067 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CC(C)C2)CCOCC1 ZINC001408030246 1165439046 /nfs/dbraw/zinc/43/90/46/1165439046.db2.gz GGOXIIFBTVVEAV-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN CCCc1nc(C)c(CNCC2CC(NC(=O)[C@@H](C)C#N)C2)o1 ZINC001408355282 1165611079 /nfs/dbraw/zinc/61/10/79/1165611079.db2.gz VFURNSKGFUJSIU-XGNXJENSSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001418166710 1167455230 /nfs/dbraw/zinc/45/52/30/1167455230.db2.gz MATGSTWTYACILM-AWEZNQCLSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)Cn2cncc2C)C1 ZINC001418169867 1167458275 /nfs/dbraw/zinc/45/82/75/1167458275.db2.gz DFLQQOJDGBMADY-HUUCEWRRSA-N 0 3 324.856 2.161 20 30 DEEDHN Cc1occc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001418190803 1167472928 /nfs/dbraw/zinc/47/29/28/1167472928.db2.gz BTNCMZOOTWRPND-JTQLQIEISA-N 0 3 303.387 2.429 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)c(C)[nH]1 ZINC001418287050 1167550037 /nfs/dbraw/zinc/55/00/37/1167550037.db2.gz ZBHQRCUAFBCVFN-LLVKDONJSA-N 0 3 316.430 2.473 20 30 DEEDHN C[C@H](CCNC(=O)c1ccccn1)NCc1ccccc1C#N ZINC001418386205 1167615941 /nfs/dbraw/zinc/61/59/41/1167615941.db2.gz TVWURKBHLBNUNX-CQSZACIVSA-N 0 3 308.385 2.251 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn2ccccc12 ZINC001418425339 1167645763 /nfs/dbraw/zinc/64/57/63/1167645763.db2.gz WVBGUPOETSNMJE-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ccnn1C ZINC001419068040 1168174917 /nfs/dbraw/zinc/17/49/17/1168174917.db2.gz KVLHJYAJXCSBCD-QWHCGFSZSA-N 0 3 310.829 2.145 20 30 DEEDHN Cc1nsc(C)c1CN1CCC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001419535028 1168579797 /nfs/dbraw/zinc/57/97/97/1168579797.db2.gz GFYCCUNMGKPZCK-BXUZGUMPSA-N 0 3 320.462 2.248 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H](C)CNC(=O)[C@H](C)C#N ZINC001419723465 1168820993 /nfs/dbraw/zinc/82/09/93/1168820993.db2.gz UZZZKVZRBNOCEA-GHMZBOCLSA-N 0 3 309.797 2.103 20 30 DEEDHN CC[C@H](SC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001419729509 1168824084 /nfs/dbraw/zinc/82/40/84/1168824084.db2.gz NJJZFIAXRDSFON-NHYWBVRUSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn(C)nc1C(C)C ZINC001420165849 1169205370 /nfs/dbraw/zinc/20/53/70/1169205370.db2.gz VNNAHANVCZNMRJ-GFCCVEGCSA-N 0 3 312.845 2.394 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC1CCOCC1 ZINC001420267412 1169301276 /nfs/dbraw/zinc/30/12/76/1169301276.db2.gz CMWDYCURFGYABA-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420373990 1169427072 /nfs/dbraw/zinc/42/70/72/1169427072.db2.gz XKIHMWMJDVKSSH-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN CCN(CCNC(=O)c1conc1C)Cc1cccc(C#N)c1 ZINC001420427521 1169530722 /nfs/dbraw/zinc/53/07/22/1169530722.db2.gz SDKVIFBPYHACQQ-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CC(F)(F)F ZINC001420554929 1169785717 /nfs/dbraw/zinc/78/57/17/1169785717.db2.gz VFQQQPZGMSNCEB-NSHDSACASA-N 0 3 313.323 2.447 20 30 DEEDHN C=C(Br)CNC[C@@](C)(NC(=O)C(C)C)C1CC1 ZINC001421544351 1171841559 /nfs/dbraw/zinc/84/15/59/1171841559.db2.gz OKPKDIWDEBWSJX-CYBMUJFWSA-N 0 3 303.244 2.426 20 30 DEEDHN Cc1nsc(C)c1CNC1(CNC(=O)[C@@H](C)C#N)CCCC1 ZINC001421812386 1172009251 /nfs/dbraw/zinc/00/92/51/1172009251.db2.gz JCHOQRJDJMLMMT-NSHDSACASA-N 0 3 320.462 2.438 20 30 DEEDHN Cc1csc(CNC2CCC(N(C)C(=O)[C@H](C)C#N)CC2)n1 ZINC001422422683 1172575687 /nfs/dbraw/zinc/57/56/87/1172575687.db2.gz MQNKCKKACOZASD-LMWSTFAQSA-N 0 3 320.462 2.470 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H]1C[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC001422906816 1172914657 /nfs/dbraw/zinc/91/46/57/1172914657.db2.gz JYWYLBIESFWYDY-QEJZJMRPSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001423015676 1173016917 /nfs/dbraw/zinc/01/69/17/1173016917.db2.gz ZMMDLUNYZDVREW-RGYTYGDFSA-N 0 3 315.392 2.338 20 30 DEEDHN COCCN(CCNC(=O)[C@H](C)C#N)Cc1c(C)cccc1C ZINC001423629240 1173454778 /nfs/dbraw/zinc/45/47/78/1173454778.db2.gz OGIKNXNOVNHEPY-MRXNPFEDSA-N 0 3 317.433 2.028 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2C=CC=CC=C2)CCOCC1 ZINC001424494282 1173810587 /nfs/dbraw/zinc/81/05/87/1173810587.db2.gz ZNZHHXBHALCLPG-UHFFFAOYSA-N 0 3 322.836 2.292 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2c(c1)CCO2 ZINC001424600662 1173846219 /nfs/dbraw/zinc/84/62/19/1173846219.db2.gz XCBQCDOEKATPSQ-LBPRGKRZSA-N 0 3 308.809 2.472 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(C)(F)F)NCc1ccc(C#N)s1 ZINC001425530224 1174353548 /nfs/dbraw/zinc/35/35/48/1174353548.db2.gz NKVRPNJCJLONTF-VIFPVBQESA-N 0 3 301.362 2.211 20 30 DEEDHN N#C[C@H]1C[C@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001433964306 1178091854 /nfs/dbraw/zinc/09/18/54/1178091854.db2.gz LUGZBCJJYLYJQJ-SARFZWSYSA-N 0 3 315.339 2.068 20 30 DEEDHN N#Cc1ccnc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1 ZINC001434486766 1178652908 /nfs/dbraw/zinc/65/29/08/1178652908.db2.gz ZXOMPOWWQAZVLA-PKOBYXMFSA-N 0 3 305.381 2.353 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001436397337 1179079780 /nfs/dbraw/zinc/07/97/80/1179079780.db2.gz RECKABBMCPNAEI-HAQNSBGRSA-N 0 3 313.854 2.231 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccn(C(C)(C)C)n1 ZINC001437385159 1179775514 /nfs/dbraw/zinc/77/55/14/1179775514.db2.gz RDVQTXRLBANTFK-GFCCVEGCSA-N 0 3 312.845 2.489 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001437397001 1179781510 /nfs/dbraw/zinc/78/15/10/1179781510.db2.gz LFCFYYKBXNKORI-OCCSQVGLSA-N 0 3 307.825 2.348 20 30 DEEDHN CCN(CCNC(=O)[C@H](OC)C(C)C)Cc1cccc(C#N)c1 ZINC001437618502 1179865503 /nfs/dbraw/zinc/86/55/03/1179865503.db2.gz FFXUETXNUFMPTQ-QGZVFWFLSA-N 0 3 317.433 2.167 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)s1 ZINC001438341280 1180357467 /nfs/dbraw/zinc/35/74/67/1180357467.db2.gz HDSDZYDYFIOYTQ-RISCZKNCSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1cccc2cn[nH]c21 ZINC001438682833 1180755362 /nfs/dbraw/zinc/75/53/62/1180755362.db2.gz SFABGRTWKMFPIW-LLVKDONJSA-N 0 3 306.797 2.366 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1cccc2c[nH]nc21 ZINC001438682833 1180755375 /nfs/dbraw/zinc/75/53/75/1180755375.db2.gz SFABGRTWKMFPIW-LLVKDONJSA-N 0 3 306.797 2.366 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001439317748 1181017508 /nfs/dbraw/zinc/01/75/08/1181017508.db2.gz NWHDXBKDYWWHNZ-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001439331115 1181025508 /nfs/dbraw/zinc/02/55/08/1181025508.db2.gz WTTFLLOTZUMHCS-CQSZACIVSA-N 0 3 315.889 2.440 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(C#N)s2)co1 ZINC001440776505 1181685233 /nfs/dbraw/zinc/68/52/33/1181685233.db2.gz GFQBLNRUZXCPTJ-ZJUUUORDSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H]1CCCO1 ZINC001440879518 1181740245 /nfs/dbraw/zinc/74/02/45/1181740245.db2.gz PKUXOQRUPHMVKM-ZDUSSCGKSA-N 0 3 302.846 2.382 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1cccc(F)c1 ZINC001440920027 1181774391 /nfs/dbraw/zinc/77/43/91/1181774391.db2.gz PKSBFZKZTIZUSE-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)C1CC1 ZINC001441218948 1181898985 /nfs/dbraw/zinc/89/89/85/1181898985.db2.gz BOFVQIVSDAVWFH-NSHDSACASA-N 0 3 318.755 2.198 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)C(C)C ZINC001441434531 1181992761 /nfs/dbraw/zinc/99/27/61/1181992761.db2.gz GJULDYXOARPWND-LBPRGKRZSA-N 0 3 303.244 2.378 20 30 DEEDHN CCC[C@@H](OC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001441595696 1182081041 /nfs/dbraw/zinc/08/10/41/1182081041.db2.gz SFDWMTITQJAQKE-SWLSCSKDSA-N 0 3 323.462 2.371 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@H](C)C(C)C)cc1C#N ZINC001441965740 1182271669 /nfs/dbraw/zinc/27/16/69/1182271669.db2.gz BNKIDDNZJUPLNM-UONOGXRCSA-N 0 3 317.433 2.453 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)CCCF)C2)c1 ZINC001442894197 1182774913 /nfs/dbraw/zinc/77/49/13/1182774913.db2.gz ZEUUXKWGKWSXJG-MRXNPFEDSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001444108592 1183288477 /nfs/dbraw/zinc/28/84/77/1183288477.db2.gz KWGMPCSGJPFGKU-UKRRQHHQSA-N 0 3 300.830 2.183 20 30 DEEDHN Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001444173321 1183306521 /nfs/dbraw/zinc/30/65/21/1183306521.db2.gz QNDXCILQJZBTCV-DRZSPHRISA-N 0 3 306.435 2.128 20 30 DEEDHN C[C@@H](CNCc1nsc2ccccc12)CNC(=O)[C@@H](C)C#N ZINC001444314247 1183343824 /nfs/dbraw/zinc/34/38/24/1183343824.db2.gz XEZOOUHKQJATIB-RYUDHWBXSA-N 0 3 316.430 2.298 20 30 DEEDHN C=C(Cl)CN1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001448321041 1185162296 /nfs/dbraw/zinc/16/22/96/1185162296.db2.gz QJZYFCDSQXNHLO-ZDUSSCGKSA-N 0 3 315.889 2.153 20 30 DEEDHN N#CC(C(=O)CCCOC1CCOCC1)c1cccc(F)n1 ZINC001347259535 1151052132 /nfs/dbraw/zinc/05/21/32/1151052132.db2.gz GUSJTYPQXVQNEC-ZDUSSCGKSA-N 0 3 306.337 2.373 20 30 DEEDHN C=CCOc1cc(C)nc(N2CCN(C3CCCC3)CC2)n1 ZINC001165028113 721856677 /nfs/dbraw/zinc/85/66/77/721856677.db2.gz JQEWLWXJMPFEND-UHFFFAOYSA-N 0 3 302.422 2.414 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)o1 ZINC001106109305 782249556 /nfs/dbraw/zinc/24/95/56/782249556.db2.gz JEJIEBKSYOOFBS-UKRRQHHQSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001083692908 782343200 /nfs/dbraw/zinc/34/32/00/782343200.db2.gz KVUWEZRXEJAMSX-CVEARBPZSA-N 0 3 320.408 2.184 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccc(F)cc2)[C@H]1C ZINC001332221416 1149837505 /nfs/dbraw/zinc/83/75/05/1149837505.db2.gz YAXJLXDPAOZWCY-PBHICJAKSA-N 0 3 318.392 2.197 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC001121954369 782398265 /nfs/dbraw/zinc/39/82/65/782398265.db2.gz ADKCXPAZINOIJF-LSDHHAIUSA-N 0 3 311.470 2.190 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001332263925 1149841587 /nfs/dbraw/zinc/84/15/87/1149841587.db2.gz VSOSAYBPHPIADF-CABCVRRESA-N 0 3 318.465 2.397 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)n2C)CC(C)(C)C1 ZINC001089317690 782534356 /nfs/dbraw/zinc/53/43/56/782534356.db2.gz LIOHSMFUXDEZHY-HNNXBMFYSA-N 0 3 301.434 2.187 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001332665737 1149878125 /nfs/dbraw/zinc/87/81/25/1149878125.db2.gz XGJZBIZINGROTH-CSLYMUCUSA-N 0 3 308.466 2.140 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cc(C2CC2)no1 ZINC001408199017 1165528549 /nfs/dbraw/zinc/52/85/49/1165528549.db2.gz RBNKBJIVDJIPJC-NSHDSACASA-N 0 3 311.813 2.331 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnc(Br)c2)CC1 ZINC000176574708 782622121 /nfs/dbraw/zinc/62/21/21/782622121.db2.gz VVHRAQYEPLSYOQ-UHFFFAOYSA-N 0 3 324.222 2.224 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](CC)OCC)C[C@H](C)O2 ZINC001111536396 782965125 /nfs/dbraw/zinc/96/51/25/782965125.db2.gz BWKIUQCROLXMIO-HOTGVXAUSA-N 0 3 324.465 2.069 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCc2ccco2)s1 ZINC001123423124 783002093 /nfs/dbraw/zinc/00/20/93/783002093.db2.gz FQXSCRHYXJBFSJ-UHFFFAOYSA-N 0 3 303.387 2.051 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC2(F)F)[C@H](OC)C1 ZINC001212218714 783041249 /nfs/dbraw/zinc/04/12/49/783041249.db2.gz GHXYQGRTXYGTBO-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)CC1 ZINC001083754801 783048107 /nfs/dbraw/zinc/04/81/07/783048107.db2.gz VMSLDTBKROJZDQ-MSOLQXFVSA-N 0 3 320.477 2.474 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2C(C)C)CC(C)(C)C1 ZINC001089395871 783065087 /nfs/dbraw/zinc/06/50/87/783065087.db2.gz BELQLBQDVDOYGM-HNNXBMFYSA-N 0 3 316.449 2.318 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C[C@H]1C ZINC000947353357 783087180 /nfs/dbraw/zinc/08/71/80/783087180.db2.gz VVSMQNFRSATHKC-PWSUYJOCSA-N 0 3 312.364 2.355 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cncc(C)c2)CC(C)(C)C1 ZINC001089452081 783118179 /nfs/dbraw/zinc/11/81/79/783118179.db2.gz ZRHXHMAVULIIGX-KRWDZBQOSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)CC(C)(C)C1 ZINC001089456841 783122503 /nfs/dbraw/zinc/12/25/03/783122503.db2.gz MQEFYVDLUIVIQC-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000947391885 783125125 /nfs/dbraw/zinc/12/51/25/783125125.db2.gz SDQLUMVZOKSYMG-UKRRQHHQSA-N 0 3 323.396 2.156 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C[C@H]1C ZINC000947386373 783123126 /nfs/dbraw/zinc/12/31/26/783123126.db2.gz HMZWOYFWHQLKFZ-VXGBXAGGSA-N 0 3 322.840 2.232 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cc(C3CC3)no2)C[C@H]1C ZINC000947387393 783123776 /nfs/dbraw/zinc/12/37/76/783123776.db2.gz PNZHELJHZRGCBI-UKRRQHHQSA-N 0 3 315.417 2.087 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)C[C@@H]1C ZINC000947469010 783144736 /nfs/dbraw/zinc/14/47/36/783144736.db2.gz UOKJFTMMXUYZHS-UONOGXRCSA-N 0 3 312.417 2.342 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)nn2CC)CC(C)(C)C1 ZINC001089499345 783165118 /nfs/dbraw/zinc/16/51/18/783165118.db2.gz DNAOAUCMDLSSOZ-HNNXBMFYSA-N 0 3 316.449 2.065 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)onc2C2CC2)C[C@H]1C ZINC000947555340 783171893 /nfs/dbraw/zinc/17/18/93/783171893.db2.gz JNHIZKBNYMPEJY-IUODEOHRSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1C ZINC000947564768 783176518 /nfs/dbraw/zinc/17/65/18/783176518.db2.gz SLHBWRHBNVCRHK-YPMHNXCESA-N 0 3 313.405 2.035 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnn(CC)c2C)CC(C)(C)C1 ZINC001089527272 783183709 /nfs/dbraw/zinc/18/37/09/783183709.db2.gz MGHKDJREETUQIK-HNNXBMFYSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000947597561 783184555 /nfs/dbraw/zinc/18/45/55/783184555.db2.gz IDIMEAHXXDXLTM-ZFWWWQNUSA-N 0 3 323.396 2.156 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)c3ccsc3)C2)C1 ZINC001072975160 790346539 /nfs/dbraw/zinc/34/65/39/790346539.db2.gz ZFZXOQLRKOYQDM-AWEZNQCLSA-N 0 3 302.443 2.409 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)[C@H]4CC45CC5)C3)C2)cc1 ZINC001073014338 790386269 /nfs/dbraw/zinc/38/62/69/790386269.db2.gz VKCMIVMWGLFGGS-QGZVFWFLSA-N 0 3 321.424 2.393 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3cc(F)ccc3F)C2)C1 ZINC001073139810 790482217 /nfs/dbraw/zinc/48/22/17/790482217.db2.gz ZFCGYVHEQATZOP-UHFFFAOYSA-N 0 3 322.355 2.064 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CCC1CCC1 ZINC001125400580 776911204 /nfs/dbraw/zinc/91/12/04/776911204.db2.gz CKJFKEXOKRBUDE-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOC(=O)N1CCC2(CCN(Cc3c[nH]cn3)CC2)CC1 ZINC001136864709 790500874 /nfs/dbraw/zinc/50/08/74/790500874.db2.gz BGCKNWOVUNXHQZ-UHFFFAOYSA-N 0 3 318.421 2.410 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2)C1 ZINC001111586953 777235742 /nfs/dbraw/zinc/23/57/42/777235742.db2.gz TUQQERQUWOIROS-RDJZCZTQSA-N 0 3 304.390 2.067 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(CC)nn2C)CC1 ZINC001167520441 777288811 /nfs/dbraw/zinc/28/88/11/777288811.db2.gz MJDSGEVWHQGERC-UHFFFAOYSA-N 0 3 324.856 2.225 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H]3CC34CCCC4)[C@H]2C1 ZINC001083240796 777304930 /nfs/dbraw/zinc/30/49/30/777304930.db2.gz YHCDGHZDLNJRJV-OWCLPIDISA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCn1ccnc1C(C)C ZINC001167588596 777359844 /nfs/dbraw/zinc/35/98/44/777359844.db2.gz VZYPNABZRWFFMI-UHFFFAOYSA-N 0 3 312.845 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C=CCN1CCC2(CN(C(=O)[C@H](F)Cc3ccccc3)C2)C1 ZINC001073452395 790664459 /nfs/dbraw/zinc/66/44/59/790664459.db2.gz CIFNNRHDKRIMNO-MRXNPFEDSA-N 0 3 302.393 2.288 20 30 DEEDHN C=CCOC(=O)[C@@H](Nc1ccc2c(n1)CNCC2)[C@@H](C)CC ZINC001167955669 779032888 /nfs/dbraw/zinc/03/28/88/779032888.db2.gz WCSMXJJYCMJPRO-LRDDRELGSA-N 0 3 303.406 2.283 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)CC1 ZINC000983411906 779078841 /nfs/dbraw/zinc/07/88/41/779078841.db2.gz NXZSBAPNXLDNJV-FPOVZHCZSA-N 0 3 322.452 2.448 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(Cl)o2)[C@H](OC)C1 ZINC001211845563 779090174 /nfs/dbraw/zinc/09/01/74/779090174.db2.gz ZFGHWAIQQNSTKT-DGCLKSJQSA-N 0 3 312.797 2.328 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ncn(C)c32)[C@H]1CC ZINC001087630570 779385103 /nfs/dbraw/zinc/38/51/03/779385103.db2.gz OMKSPMQFMJQSSO-GOEBONIOSA-N 0 3 312.417 2.342 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@H]1CC ZINC001087647384 779394847 /nfs/dbraw/zinc/39/48/47/779394847.db2.gz 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ZINC001088197445 779767431 /nfs/dbraw/zinc/76/74/31/779767431.db2.gz KYOLTPZACLCGFB-UXHICEINSA-N 0 3 322.452 2.131 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(c4ccccc4C)CC3)C[C@@H]2C1 ZINC001088221032 779779546 /nfs/dbraw/zinc/77/95/46/779779546.db2.gz IMPYYDUTHAUEQI-MSOLQXFVSA-N 0 3 322.452 2.440 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4oc(C)nc43)C[C@@H]2C1 ZINC001088216090 779780388 /nfs/dbraw/zinc/78/03/88/779780388.db2.gz PRLSCQTVFMMLIN-CABCVRRESA-N 0 3 323.396 2.163 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(C)C(C)(C)C3(C)C)C[C@@H]2C1 ZINC001088223325 779780892 /nfs/dbraw/zinc/78/08/92/779780892.db2.gz XHHNJOIKGTVNKH-CABCVRRESA-N 0 3 302.462 2.472 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001088228930 779784128 /nfs/dbraw/zinc/78/41/28/779784128.db2.gz DMHBTPMCHNYLAE-SJLPKXTDSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001088233820 779790174 /nfs/dbraw/zinc/79/01/74/779790174.db2.gz ALAYZASVQYSTLD-MRXNPFEDSA-N 0 3 306.450 2.302 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Cc1nn(C(C)C)cc1CNCCNC(=O)C#CC(C)(C)C ZINC001126916024 781075121 /nfs/dbraw/zinc/07/51/21/781075121.db2.gz MARDCZIOQXVDJW-UHFFFAOYSA-N 0 3 304.438 2.028 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cn(C(C)C)cn3)[C@@H]2C1 ZINC001076083719 781112205 /nfs/dbraw/zinc/11/22/05/781112205.db2.gz PACKVUJLEDZNQY-GOEBONIOSA-N 0 3 302.422 2.186 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(CCC)n[nH]3)[C@@H]2C1 ZINC001076113976 781128419 /nfs/dbraw/zinc/12/84/19/781128419.db2.gz YJARNBMWQZZLHR-XJKSGUPXSA-N 0 3 302.422 2.085 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)[C@@H]2C1 ZINC001076279781 781191376 /nfs/dbraw/zinc/19/13/76/781191376.db2.gz PRXKYZNSUOJPKT-SWLSCSKDSA-N 0 3 320.824 2.186 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc4c3OCC4)[C@@H]2C1 ZINC001076274892 781195547 /nfs/dbraw/zinc/19/55/47/781195547.db2.gz ZZAZDHLHVUDCTC-DOTOQJQBSA-N 0 3 312.413 2.344 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(CC(C)C)c3)[C@@H]2C1 ZINC001076404503 781252864 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CC#CCN1CC[C@@H](NC(=O)Cc2c(C)noc2Cl)C[C@@H]1C ZINC000947806227 783235500 /nfs/dbraw/zinc/23/55/00/783235500.db2.gz PAXLNUAMMYNGQI-WCQYABFASA-N 0 3 323.824 2.171 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)C[C@H]1C ZINC000947861147 783250192 /nfs/dbraw/zinc/25/01/92/783250192.db2.gz GGQIFASCMPQRNB-ZBFHGGJFSA-N 0 3 304.438 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)C[C@H]1C ZINC000947886868 783256942 /nfs/dbraw/zinc/25/69/42/783256942.db2.gz OLWZZVJMKFHJQF-KGLIPLIRSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001089611088 783270800 /nfs/dbraw/zinc/27/08/00/783270800.db2.gz OPWYIPBOIBIVQK-HNNXBMFYSA-N 0 3 316.449 2.216 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(CCC)n2)C[C@@H]1C ZINC000947925071 783271031 /nfs/dbraw/zinc/27/10/31/783271031.db2.gz JNMSCOSDPQOEQU-UONOGXRCSA-N 0 3 303.406 2.233 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cn2cc3ccccc3n2)C[C@@H]1C ZINC000947936910 783273798 /nfs/dbraw/zinc/27/37/98/783273798.db2.gz YYUOUKQULUPTRJ-DOTOQJQBSA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001089618438 783283109 /nfs/dbraw/zinc/28/31/09/783283109.db2.gz FRZLWJCQGPHKQL-HNNXBMFYSA-N 0 3 316.449 2.270 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1F ZINC001089621749 783284995 /nfs/dbraw/zinc/28/49/95/783284995.db2.gz ZUPVWHRFRXCVEZ-AWEZNQCLSA-N 0 3 317.408 2.464 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C)nc2C2CC2)C[C@H]1C ZINC000947988779 783285277 /nfs/dbraw/zinc/28/52/77/783285277.db2.gz DJFPOAIBULMKKI-IUODEOHRSA-N 0 3 314.433 2.431 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2F)C[C@H]1C ZINC000947989445 783287259 /nfs/dbraw/zinc/28/72/59/783287259.db2.gz KGQPNVUMBYYDCR-ZBFHGGJFSA-N 0 3 302.393 2.361 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000948027512 783296683 /nfs/dbraw/zinc/29/66/83/783296683.db2.gz XSTFQAAKUGMGEM-GUYCJALGSA-N 0 3 315.417 2.414 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001089675855 783344057 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C#CCN1CCC[C@H](N(C)C(=O)c2cccc3cn[nH]c32)CC1 ZINC000948665533 783556692 /nfs/dbraw/zinc/55/66/92/783556692.db2.gz LPKRPBUMPYWLBZ-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC000966200455 783600048 /nfs/dbraw/zinc/60/00/48/783600048.db2.gz UBGORRAKNXXNMC-UONOGXRCSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001099957880 783614938 /nfs/dbraw/zinc/61/49/38/783614938.db2.gz XPSFRKOXZDGWCC-IRXDYDNUSA-N 0 3 306.450 2.088 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccnn2C)C1 ZINC001085324957 783641045 /nfs/dbraw/zinc/64/10/45/783641045.db2.gz RJICOPLBYBHULQ-HZPDHXFCSA-N 0 3 316.449 2.293 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC000966672318 783727402 /nfs/dbraw/zinc/72/74/02/783727402.db2.gz VQABBYBUGMWOPR-WCQYABFASA-N 0 3 322.840 2.089 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001085629939 783905059 /nfs/dbraw/zinc/90/50/59/783905059.db2.gz 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/nfs/dbraw/zinc/02/00/59/784020059.db2.gz MNXMZQSLMWWBRG-NSHDSACASA-N 0 3 312.364 2.080 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001074000053 791007483 /nfs/dbraw/zinc/00/74/83/791007483.db2.gz UPCRLWBGOFAKTD-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)n(C)nc1Cl ZINC001085948097 784243665 /nfs/dbraw/zinc/24/36/65/784243665.db2.gz AZUDWYDVKVWDTN-LBPRGKRZSA-N 0 3 310.829 2.104 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(=O)[nH]c1C ZINC001085980113 784279593 /nfs/dbraw/zinc/27/95/93/784279593.db2.gz JLEWIPAHWQOPLN-CQSZACIVSA-N 0 3 303.406 2.126 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)/C=C\C3CC3)C2)cc1F ZINC000968316296 784282358 /nfs/dbraw/zinc/28/23/58/784282358.db2.gz JWTJVMIBVKQBRU-DQOPKJQZSA-N 0 3 313.376 2.354 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001074016732 791013397 /nfs/dbraw/zinc/01/33/97/791013397.db2.gz JBOCVVNBPWXNQM-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001066356972 784293281 /nfs/dbraw/zinc/29/32/81/784293281.db2.gz QNSJKRPVHOXCSQ-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c2OCC3)C1 ZINC000968334970 784298361 /nfs/dbraw/zinc/29/83/61/784298361.db2.gz LTKWLOJNSOTCAS-PBHICJAKSA-N 0 3 312.413 2.085 20 30 DEEDHN C/C=C(/C)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000968363319 784324840 /nfs/dbraw/zinc/32/48/40/784324840.db2.gz KTRACYUWOXGAAF-GLDPUFHNSA-N 0 3 301.365 2.354 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3=CCCC3)C2)s1 ZINC000968400824 784360284 /nfs/dbraw/zinc/36/02/84/784360284.db2.gz IQFXOZCKOGUJCV-CYBMUJFWSA-N 0 3 301.415 2.421 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968409311 784368833 /nfs/dbraw/zinc/36/88/33/784368833.db2.gz LHJHJMISLUFDSN-YOEHRIQHSA-N 0 3 324.428 2.335 20 30 DEEDHN N#Cc1ccc(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)[nH]1 ZINC000968411132 784369386 /nfs/dbraw/zinc/36/93/86/784369386.db2.gz 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/nfs/dbraw/zinc/91/01/04/784910104.db2.gz UFIAANYGKQXOQC-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(OC)cc2C)C1 ZINC001007414230 784912306 /nfs/dbraw/zinc/91/23/06/784912306.db2.gz ZFRQYMNEGYEGRY-KRWDZBQOSA-N 0 3 314.429 2.150 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(OCC)nc2)C1 ZINC001007461512 784926915 /nfs/dbraw/zinc/92/69/15/784926915.db2.gz QSRQPMKKSFUOCU-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CC(=NCOC)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC001168936225 784971727 /nfs/dbraw/zinc/97/17/27/784971727.db2.gz FTAQMRFQVFPXKH-UHFFFAOYSA-N 0 3 316.405 2.461 20 30 DEEDHN N#Cc1ccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169025944 785018547 /nfs/dbraw/zinc/01/85/47/785018547.db2.gz KDSIWWUNCGZCEU-WBVHZDCISA-N 0 3 314.389 2.126 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001007928386 785050759 /nfs/dbraw/zinc/05/07/59/785050759.db2.gz YOLHTKONTLASSX-CYBMUJFWSA-N 0 3 303.406 2.324 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001007962010 785061531 /nfs/dbraw/zinc/06/15/31/785061531.db2.gz OXOOZMOZSCVAED-HNNXBMFYSA-N 0 3 303.406 2.120 20 30 DEEDHN COc1cc(CCC#N)c(-n2ccc([C@@H](C)N)n2)cc1OC ZINC001169233453 785099331 /nfs/dbraw/zinc/09/93/31/785099331.db2.gz QOECDOYQAACPTG-LLVKDONJSA-N 0 3 300.362 2.365 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001008131452 785115755 /nfs/dbraw/zinc/11/57/55/785115755.db2.gz SSNTYVICRBEXKL-AWEZNQCLSA-N 0 3 314.389 2.302 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001008279189 785160685 /nfs/dbraw/zinc/16/06/85/785160685.db2.gz QQYIFNUIKUOTHA-IRXDYDNUSA-N 0 3 311.429 2.105 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001008312685 785170800 /nfs/dbraw/zinc/17/08/00/785170800.db2.gz KGKQPKMJCIXAEN-AWEZNQCLSA-N 0 3 303.406 2.171 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001008381127 785185805 /nfs/dbraw/zinc/18/58/05/785185805.db2.gz WNJGUTUFHNDWBL-MRXNPFEDSA-N 0 3 304.821 2.486 20 30 DEEDHN C#CCOc1ncccc1C(=O)N[C@H]1CCCN(CCCC)C1 ZINC001009264906 785418212 /nfs/dbraw/zinc/41/82/12/785418212.db2.gz WGFCMRCZAYNGKU-HNNXBMFYSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](CC)OC)CCC1 ZINC001109392975 785845460 /nfs/dbraw/zinc/84/54/60/785845460.db2.gz KRHLDQSCRROMJZ-QZWWFDLISA-N 0 3 318.461 2.327 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC001112814236 786234641 /nfs/dbraw/zinc/23/46/41/786234641.db2.gz LCKRHBABTNOTTC-HTWSVDAQSA-N 0 3 308.466 2.284 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)c2c(C)cc(=O)oc2C)CC1 ZINC001113082890 786396064 /nfs/dbraw/zinc/39/60/64/786396064.db2.gz NUBBGKVZSNRUMU-AWEZNQCLSA-N 0 3 318.417 2.369 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCCc2c[nH]nn2)CC1 ZINC001113154020 786422230 /nfs/dbraw/zinc/42/22/30/786422230.db2.gz QVPBJPDNOQWECL-HNNXBMFYSA-N 0 3 319.453 2.016 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC001113171889 786429152 /nfs/dbraw/zinc/42/91/52/786429152.db2.gz 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C=CCCN1CC[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC001015630661 787148533 /nfs/dbraw/zinc/14/85/33/787148533.db2.gz FMDQIGJDWDVYOV-AWEZNQCLSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001170438613 787148857 /nfs/dbraw/zinc/14/88/57/787148857.db2.gz MOHSIRISWCLJDI-DYVFJYSZSA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1 ZINC001015634445 787150689 /nfs/dbraw/zinc/15/06/89/787150689.db2.gz OVQAKNNMMVOZTE-AWEZNQCLSA-N 0 3 312.373 2.117 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001015638831 787152930 /nfs/dbraw/zinc/15/29/30/787152930.db2.gz DUUHVBSSBRBCPX-AWEZNQCLSA-N 0 3 311.385 2.004 20 30 DEEDHN COCCC[C@@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001170476228 787287375 /nfs/dbraw/zinc/28/73/75/787287375.db2.gz FYSICIBLPKORTI-OAHLLOKOSA-N 0 3 317.433 2.217 20 30 DEEDHN CCc1cnccc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001130607376 787444040 /nfs/dbraw/zinc/44/40/40/787444040.db2.gz CKUUNKCOJUMQBM-UHFFFAOYSA-N 0 3 314.414 2.097 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787940010 /nfs/dbraw/zinc/94/00/10/787940010.db2.gz RECNXPMENNSMEF-DDBAPUKQSA-N 0 3 314.429 2.060 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132234874 787975523 /nfs/dbraw/zinc/97/55/23/787975523.db2.gz GQIYNGAKRJOXOD-SJORKVTESA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1C)C2 ZINC001097116120 787984368 /nfs/dbraw/zinc/98/43/68/787984368.db2.gz XUUSILDHBLQGBM-XYPHTWIQSA-N 0 3 300.377 2.493 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2occc2C)CC[C@@H]1C ZINC001132290532 788013634 /nfs/dbraw/zinc/01/36/34/788013634.db2.gz DPIYGDUQPYJHTE-JKSUJKDBSA-N 0 3 320.433 2.302 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCn2nc(C)cc2C)CC[C@H]1C ZINC001132330540 788029652 /nfs/dbraw/zinc/02/96/52/788029652.db2.gz JAALYEHOPVODAR-NVXWUHKLSA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCn2nc(C)cc2C)CC[C@@H]1C ZINC001132330539 788030824 /nfs/dbraw/zinc/03/08/24/788030824.db2.gz JAALYEHOPVODAR-DOTOQJQBSA-N 0 3 318.465 2.435 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2ccncc2)CC[C@@H]1C ZINC001132383658 788051005 /nfs/dbraw/zinc/05/10/05/788051005.db2.gz BVQGHKQGRUMCBM-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CCOCC2)CC[C@@H]1C ZINC001132405844 788059944 /nfs/dbraw/zinc/05/99/44/788059944.db2.gz AOMUBSDPSOLLKM-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(=O)NC(C)C)CC[C@@H]1C ZINC001132430274 788071060 /nfs/dbraw/zinc/07/10/60/788071060.db2.gz VTLJKPNZLQZWFH-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccc(C)cc2)CC[C@@H]1C ZINC001132469659 788088776 /nfs/dbraw/zinc/08/87/76/788088776.db2.gz UMRODJOLVDEJGX-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC001132474846 788093965 /nfs/dbraw/zinc/09/39/65/788093965.db2.gz LDCQFZKULHLWCT-VIFPVBQESA-N 0 3 317.286 2.102 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCCO)C2)CCCC1 ZINC001132546611 788121177 /nfs/dbraw/zinc/12/11/77/788121177.db2.gz OOXDFEBOACLLQP-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132569545 788132988 /nfs/dbraw/zinc/13/29/88/788132988.db2.gz UGXPSIMOGNLBNB-ZIAGYGMSSA-N 0 3 315.417 2.231 20 30 DEEDHN COCC#CCNCCNC(=O)c1c(Cl)oc2ccccc21 ZINC001132725282 788175403 /nfs/dbraw/zinc/17/54/03/788175403.db2.gz SUCXSDCJTSBYGC-UHFFFAOYSA-N 0 3 320.776 2.055 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)C2(C(F)F)CCC2)c1 ZINC001132811586 788199198 /nfs/dbraw/zinc/19/91/98/788199198.db2.gz RCTJZGXTWSKKQQ-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001132865883 788213367 /nfs/dbraw/zinc/21/33/67/788213367.db2.gz TXNWGINCNMSERO-ZFWWWQNUSA-N 0 3 319.453 2.044 20 30 DEEDHN Cc1cc(CNCCCC[C@@H](C)NC(=O)C#CC(C)C)on1 ZINC001170637257 788214500 /nfs/dbraw/zinc/21/45/00/788214500.db2.gz DCBRYHZDUPGFEV-CQSZACIVSA-N 0 3 305.422 2.407 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097851651 788249507 /nfs/dbraw/zinc/24/95/07/788249507.db2.gz HYUNIYGOBHPSBR-ZXFNITATSA-N 0 3 323.456 2.106 20 30 DEEDHN Cc1nnc([C@H](C)NCCCC[C@@H](C)NC(=O)C#CC(C)C)[nH]1 ZINC001170649837 788276703 /nfs/dbraw/zinc/27/67/03/788276703.db2.gz VYYYAWGZUYPNHU-KGLIPLIRSA-N 0 3 319.453 2.098 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001086700096 788282895 /nfs/dbraw/zinc/28/28/95/788282895.db2.gz XAYJDQLIDRYFCR-QWHCGFSZSA-N 0 3 322.840 2.070 20 30 DEEDHN C=CCCC1(C(=O)NCCNCc2ccc(OC)nc2)CC1 ZINC001133375724 788390613 /nfs/dbraw/zinc/39/06/13/788390613.db2.gz GAULKDSYOIRMKN-UHFFFAOYSA-N 0 3 303.406 2.042 20 30 DEEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)COCC ZINC001133382574 788394444 /nfs/dbraw/zinc/39/44/44/788394444.db2.gz ORJWYRPJAOMVFF-UHFFFAOYSA-N 0 3 322.836 2.318 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC001133383627 788395417 /nfs/dbraw/zinc/39/54/17/788395417.db2.gz VHUOLRVCWDPVTG-KBXCAEBGSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)COC(C)C ZINC001133388078 788397732 /nfs/dbraw/zinc/39/77/32/788397732.db2.gz AQSIFORWBJPNFX-UHFFFAOYSA-N 0 3 322.836 2.316 20 30 DEEDHN C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001133723365 788577878 /nfs/dbraw/zinc/57/78/78/788577878.db2.gz VKDIPBYDQXUWMN-KGLIPLIRSA-N 0 3 306.406 2.081 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)c1ccco1 ZINC001133727591 788581017 /nfs/dbraw/zinc/58/10/17/788581017.db2.gz ISFQZUGOJOMDPU-GFCCVEGCSA-N 0 3 315.348 2.300 20 30 DEEDHN Cc1cnc(CN[C@H](C)C[C@H](C)NC(=O)C#CC2CC2)s1 ZINC001134321184 788869771 /nfs/dbraw/zinc/86/97/71/788869771.db2.gz FHCCVEVLDPNICB-NEPJUHHUSA-N 0 3 305.447 2.238 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001134326606 788872676 /nfs/dbraw/zinc/87/26/76/788872676.db2.gz SOYCADQSOVCQHR-RYUDHWBXSA-N 0 3 313.239 2.181 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccnc1C ZINC001135230784 789260383 /nfs/dbraw/zinc/26/03/83/789260383.db2.gz RKKQQTQIRXCSLK-CABCVRRESA-N 0 3 316.449 2.352 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2CC3(CC3)C2)C1 ZINC001070425003 789322549 /nfs/dbraw/zinc/32/25/49/789322549.db2.gz ZWZCDEYAVQEAIA-CYBMUJFWSA-N 0 3 314.433 2.191 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)OCCCC)CC1 ZINC001159480730 789372129 /nfs/dbraw/zinc/37/21/29/789372129.db2.gz MGGLOECWFWSXMO-INIZCTEOSA-N 0 3 306.450 2.353 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070865365 789471773 /nfs/dbraw/zinc/47/17/73/789471773.db2.gz SFAMGYLKPVVTCC-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1cccnn1)NCc1ccccc1C#N ZINC001135739791 789473921 /nfs/dbraw/zinc/47/39/21/789473921.db2.gz SKZPTLHBBYMAAW-ZIAGYGMSSA-N 0 3 323.400 2.035 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1cccnn1 ZINC001135739790 789473951 /nfs/dbraw/zinc/47/39/51/789473951.db2.gz SKZPTLHBBYMAAW-UONOGXRCSA-N 0 3 323.400 2.035 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1CCCCC1)C[C@@H](C)O2 ZINC001071129878 789542683 /nfs/dbraw/zinc/54/26/83/789542683.db2.gz SJAQTFPBFIBRGX-VQIMIIECSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCC1CC1)C[C@@H](C)O2 ZINC001071147128 789559821 /nfs/dbraw/zinc/55/98/21/789559821.db2.gz OKMLWRYSGFJJTP-CRAIPNDOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)[C@H](O)C1 ZINC001090525703 789560770 /nfs/dbraw/zinc/56/07/70/789560770.db2.gz MUWFQTJXFLNLPP-DLBZAZTESA-N 0 3 320.477 2.330 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1CC(C)(C)C1)C[C@H](C)O2 ZINC001071166925 789569813 /nfs/dbraw/zinc/56/98/13/789569813.db2.gz QBBUJSMGAXDZJT-HNAYVOBHSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(C)CCC1)C[C@@H](C)O2 ZINC001071196600 789584581 /nfs/dbraw/zinc/58/45/81/789584581.db2.gz FIABWRYSEKHDIP-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C[C@H](C)O2 ZINC001071201781 789588864 /nfs/dbraw/zinc/58/88/64/789588864.db2.gz KSVZVLUQOLIGMI-NRUGXNMXSA-N 0 3 318.461 2.300 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@H](C)O2 ZINC001071200551 789589157 /nfs/dbraw/zinc/58/91/57/789589157.db2.gz YWCLBYPDVCDWCH-QFBILLFUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@@H](O)C1 ZINC001090528079 789647838 /nfs/dbraw/zinc/64/78/38/789647838.db2.gz GVUIRAKYJYWKSX-ROUUACIJSA-N 0 3 316.445 2.380 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001086830188 789674422 /nfs/dbraw/zinc/67/44/22/789674422.db2.gz KIDRHLUAIWCBPC-QWHCGFSZSA-N 0 3 310.829 2.267 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(F)cc2F)CC[C@@H]1C ZINC001071520401 789755855 /nfs/dbraw/zinc/75/58/55/789755855.db2.gz CZBBMUXPBBGQIG-BBRMVZONSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C3CC3)cnn2C)CC[C@@H]1C ZINC001071561999 789782128 /nfs/dbraw/zinc/78/21/28/789782128.db2.gz YHHCBQRTQRMMFX-DZGCQCFKSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncc(C)cc2OC)CC[C@H]1C ZINC001071574384 789789153 /nfs/dbraw/zinc/78/91/53/789789153.db2.gz NEUWZEVMWVYAME-CABCVRRESA-N 0 3 315.417 2.005 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cnccc2OC)CC[C@H]1C ZINC001071605570 789808631 /nfs/dbraw/zinc/80/86/31/789808631.db2.gz ADQSMEVJIBYCFE-ZBFHGGJFSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cccc3ncn(C)c32)CC[C@@H]1C ZINC001071622160 789821070 /nfs/dbraw/zinc/82/10/70/789821070.db2.gz GVJYDJIIFCWFSJ-KBPBESRZSA-N 0 3 312.417 2.342 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ncn3ccc(C)cc23)CC[C@H]1C ZINC001071624985 789823290 /nfs/dbraw/zinc/82/32/90/789823290.db2.gz LQIYCDPMAZOJQK-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@@H]1C ZINC001071626273 789824351 /nfs/dbraw/zinc/82/43/51/789824351.db2.gz VATCKEXECSSYCH-LSDHHAIUSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2COC)CC[C@@H]1C ZINC001071641987 789835549 /nfs/dbraw/zinc/83/55/49/789835549.db2.gz JJGUESWUYJHQRI-DOTOQJQBSA-N 0 3 314.429 2.439 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccn3nccc23)CC[C@H]1C ZINC001071645642 789838698 /nfs/dbraw/zinc/83/86/98/789838698.db2.gz LJJBZRBDCUOMNB-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2nc(C)cc2C)CC[C@@H]1C ZINC001071665589 789851117 /nfs/dbraw/zinc/85/11/17/789851117.db2.gz GVQSRYIRALJXDE-HOCLYGCPSA-N 0 3 304.438 2.045 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc(Cl)n2C)CC[C@H]1C ZINC001071677899 789859025 /nfs/dbraw/zinc/85/90/25/789859025.db2.gz XFYGVDJRKYFJKM-NEPJUHHUSA-N 0 3 310.829 2.232 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(C3CC3)CCOCC2)CC[C@H]1C ZINC001071704890 789876932 /nfs/dbraw/zinc/87/69/32/789876932.db2.gz HFXRKGISJRTEHV-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2c(C)nn(C)c2C)CC[C@H]1C ZINC001071715969 789883854 /nfs/dbraw/zinc/88/38/54/789883854.db2.gz NBUPSWUILRSPMQ-CZUORRHYSA-N 0 3 318.465 2.125 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(OC)cn2)CC[C@@H]1C ZINC001071759095 789907070 /nfs/dbraw/zinc/90/70/70/789907070.db2.gz FCFMXYLXDBPOGW-GOEBONIOSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)CC[C@@H]1C ZINC001071776195 789914171 /nfs/dbraw/zinc/91/41/71/789914171.db2.gz NWLAMDNGEOPUMS-BBRMVZONSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2noc3c2CCCC3)CC[C@@H]1C ZINC001071844677 789940158 /nfs/dbraw/zinc/94/01/58/789940158.db2.gz QOGNPHXTOJXABT-UONOGXRCSA-N 0 3 315.417 2.159 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccn3ccnc23)CC[C@@H]1C ZINC001071882792 789956928 /nfs/dbraw/zinc/95/69/28/789956928.db2.gz AIHIENLMTSYFFK-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(C3CC3)oc2C)CC[C@H]1C ZINC001071947436 789982057 /nfs/dbraw/zinc/98/20/57/789982057.db2.gz TVCBIYBTHPIADY-IUODEOHRSA-N 0 3 315.417 2.466 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@H]1C ZINC001071970175 789993401 /nfs/dbraw/zinc/99/34/01/789993401.db2.gz DDEWFZXAOSODDI-GDBMZVCRSA-N 0 3 313.445 2.500 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c3c(nn2C)CCC3)CC[C@H]1C ZINC001071989854 790000757 /nfs/dbraw/zinc/00/07/57/790000757.db2.gz RSCPFXFCGUCCNR-ZIAGYGMSSA-N 0 3 316.449 2.068 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(OC)cc2)CC[C@@H]1C ZINC001072019153 790014998 /nfs/dbraw/zinc/01/49/98/790014998.db2.gz DGLUPFHQSBUZCT-HOCLYGCPSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(OC)c2)CC[C@@H]1C ZINC001072044462 790029981 /nfs/dbraw/zinc/02/99/81/790029981.db2.gz MHOOHOKPVLMUTQ-HOCLYGCPSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2csc3nccn23)CC[C@@H]1C ZINC001072076114 790043359 /nfs/dbraw/zinc/04/33/59/790043359.db2.gz KDZQXMURFQGQQI-STQMWFEESA-N 0 3 318.446 2.093 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)CC[C@H]1C ZINC001072106423 790054536 /nfs/dbraw/zinc/05/45/36/790054536.db2.gz QMLINKKBDNLTRR-CABCVRRESA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2N(C)C)CC[C@H]1C ZINC001072116769 790059391 /nfs/dbraw/zinc/05/93/91/790059391.db2.gz QSPWWUKBTZFNBR-HZPDHXFCSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncccc2OCC)CC[C@@H]1C ZINC001072128618 790063590 /nfs/dbraw/zinc/06/35/90/790063590.db2.gz CRKYMMWXCNQAFS-GJZGRUSLSA-N 0 3 315.417 2.086 20 30 DEEDHN CC(=O)N1CC[C@H](C)[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001072137127 790065545 /nfs/dbraw/zinc/06/55/45/790065545.db2.gz HITODOOKRBKZCI-BLLLJJGKSA-N 0 3 303.381 2.291 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001072428155 790141792 /nfs/dbraw/zinc/14/17/92/790141792.db2.gz IGSDDTUUDCCEES-PBHICJAKSA-N 0 3 309.413 2.249 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001072428156 790142251 /nfs/dbraw/zinc/14/22/51/790142251.db2.gz IGSDDTUUDCCEES-RHSMWYFYSA-N 0 3 309.413 2.249 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@]2(C)C1 ZINC001091452742 791190852 /nfs/dbraw/zinc/19/08/52/791190852.db2.gz FGMDMUPTZXHARU-WBVHZDCISA-N 0 3 302.443 2.094 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001149117518 791228215 /nfs/dbraw/zinc/22/82/15/791228215.db2.gz KSOCOQDTIVIJNL-UHFFFAOYSA-N 0 3 323.421 2.050 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@@H](C)C1 ZINC001075017287 791430772 /nfs/dbraw/zinc/43/07/72/791430772.db2.gz MRSNNYIILYZBRB-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@H](C)C1 ZINC001075140047 791479782 /nfs/dbraw/zinc/47/97/82/791479782.db2.gz SLZYYDUXMBYCSD-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(N(C)C)c1)C2 ZINC001098278216 791601317 /nfs/dbraw/zinc/60/13/17/791601317.db2.gz YVFDKWNAXHOTRR-KURKYZTESA-N 0 3 311.429 2.111 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 ZINC001147717063 791604417 /nfs/dbraw/zinc/60/44/17/791604417.db2.gz RYAGFXAKVWFBGL-UHFFFAOYSA-N 0 3 302.340 2.439 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001098495042 791641052 /nfs/dbraw/zinc/64/10/52/791641052.db2.gz YUWLCALMMXAXFU-XBVQOTNRSA-N 0 3 312.413 2.460 20 30 DEEDHN COCC#CCNCCNC(=O)c1cccc(C2CCCC2)c1 ZINC001147857778 791642380 /nfs/dbraw/zinc/64/23/80/791642380.db2.gz QHQKMQPBTCAFFP-UHFFFAOYSA-N 0 3 314.429 2.313 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(CF)CCC1)C[C@H](C)O2 ZINC001098639202 791666538 /nfs/dbraw/zinc/66/65/38/791666538.db2.gz NMDJIDDPWGIYPP-HNNXBMFYSA-N 0 3 324.440 2.394 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccs2)C1 ZINC001098703897 791679745 /nfs/dbraw/zinc/67/97/45/791679745.db2.gz CZVXJRNMXCIYLI-YOEHRIQHSA-N 0 3 302.443 2.285 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN[C@H](C)c2cccc(F)c2)cn1 ZINC001148389750 791739225 /nfs/dbraw/zinc/73/92/25/791739225.db2.gz SXRJWEBDQRWAGU-CYBMUJFWSA-N 0 3 311.360 2.283 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCC(F)(F)C3)C[C@]2(C)C1 ZINC001091725294 791765677 /nfs/dbraw/zinc/76/56/77/791765677.db2.gz HUAXONQOKCYWEY-FMKPAKJESA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)Cc3occc3C)C2)CC1 ZINC001086942231 791856895 /nfs/dbraw/zinc/85/68/95/791856895.db2.gz LYJTUVMYRCXCCH-MRXNPFEDSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3nc(C)c[nH]3)C2)CC1 ZINC001086947693 791858534 /nfs/dbraw/zinc/85/85/34/791858534.db2.gz FPKVGSNXUFGAOY-OAHLLOKOSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3ccccc3CC)C[C@]2(C)C1 ZINC001091779405 791886538 /nfs/dbraw/zinc/88/65/38/791886538.db2.gz VKXTUHMOUQDTNF-QUCCMNQESA-N 0 3 310.441 2.205 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc4c3O[C@H](C)C4)C[C@]2(C)C1 ZINC001091864459 791895659 /nfs/dbraw/zinc/89/56/59/791895659.db2.gz BUYBMLRUMFFALD-KKVAFCGZSA-N 0 3 324.424 2.037 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C[C@]2(C)C1 ZINC001091873750 791896832 /nfs/dbraw/zinc/89/68/32/791896832.db2.gz JYRINQSOQLSVNW-ILYVXUQDSA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(F)c(C)c3)C[C@]2(C)C1 ZINC001091962455 791905943 /nfs/dbraw/zinc/90/59/43/791905943.db2.gz FZUHBUJZSBTROI-QAPCUYQASA-N 0 3 300.377 2.161 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@]2(C)C1 ZINC001092224448 791949409 /nfs/dbraw/zinc/94/94/09/791949409.db2.gz CJMBFCUWZKMPSF-UZLBHIALSA-N 0 3 321.424 2.124 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001098836032 791959027 /nfs/dbraw/zinc/95/90/27/791959027.db2.gz SKDFHDRJVCERBU-LPHOPBHVSA-N 0 3 324.428 2.413 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3CC4CCC3CC4)C[C@]2(C)C1 ZINC001092305091 791974159 /nfs/dbraw/zinc/97/41/59/791974159.db2.gz ZXMWHRHEPHHRFX-ZFHPCZBESA-N 0 3 300.446 2.226 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C2 ZINC001111463285 792001766 /nfs/dbraw/zinc/00/17/66/792001766.db2.gz HZKFDXKPOSYIER-BDXSIMOUSA-N 0 3 313.445 2.197 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001099007773 792033146 /nfs/dbraw/zinc/03/31/46/792033146.db2.gz YZPLPNBNNGEGMG-QRFRQXIXSA-N 0 3 308.425 2.320 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccn(C)n1 ZINC001099064202 792070950 /nfs/dbraw/zinc/07/09/50/792070950.db2.gz AFAUZYQKIQJTKB-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2sc(C)nc2C)C1 ZINC001099152442 792118334 /nfs/dbraw/zinc/11/83/34/792118334.db2.gz JRGHCMDPEMTAOG-YOEHRIQHSA-N 0 3 317.458 2.368 20 30 DEEDHN C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)c1ccccc1 ZINC001110136928 792139020 /nfs/dbraw/zinc/13/90/20/792139020.db2.gz UNWLBCWXKYNODQ-OWSLCNJRSA-N 0 3 314.429 2.060 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2occc2C)C[C@H]1C(F)(F)F ZINC001099211850 792140688 /nfs/dbraw/zinc/14/06/88/792140688.db2.gz HSTKEWGJNABFGD-GHMZBOCLSA-N 0 3 302.296 2.367 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C(F)(F)F ZINC001099237124 792147447 /nfs/dbraw/zinc/14/74/47/792147447.db2.gz WMKZAXISBRGIJY-NXEZZACHSA-N 0 3 312.282 2.197 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cscn1 ZINC001099257167 792154629 /nfs/dbraw/zinc/15/46/29/792154629.db2.gz BMQLEEWYTYAVQZ-CQSZACIVSA-N 0 3 307.463 2.478 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001099263805 792155201 /nfs/dbraw/zinc/15/52/01/792155201.db2.gz IWCCIUVWNNTTJX-HOCLYGCPSA-N 0 3 318.465 2.381 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC001093137156 792249801 /nfs/dbraw/zinc/24/98/01/792249801.db2.gz QFZXFDQCMLBPGN-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)nc1 ZINC001093143182 792251600 /nfs/dbraw/zinc/25/16/00/792251600.db2.gz SOASFQXHUJYXEW-YFOKADDASA-N 0 3 317.820 2.113 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CN(CC=C)CC2(CCOCC2)C1 ZINC001099579726 792251634 /nfs/dbraw/zinc/25/16/34/792251634.db2.gz YZJAWXLZTUBEAK-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)CCC)C[C@H]1c1ccc(OC)cc1 ZINC001100149559 792486380 /nfs/dbraw/zinc/48/63/80/792486380.db2.gz UULXUXBNTRZIPZ-ZWKOTPCHSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001100172011 792498866 /nfs/dbraw/zinc/49/88/66/792498866.db2.gz TUTQPSFZYYOWAA-UHFFFAOYSA-N 0 3 319.453 2.053 20 30 DEEDHN CCCc1nc(C)c(CNC2CC(CNC(=O)[C@H](C)C#N)C2)o1 ZINC001100191646 792507807 /nfs/dbraw/zinc/50/78/07/792507807.db2.gz SFBLYNUYUVDCDV-LMWSTFAQSA-N 0 3 318.421 2.080 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2cnoc2C)C1 ZINC001100259719 792550376 /nfs/dbraw/zinc/55/03/76/792550376.db2.gz SAWQALRQJINRBU-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN CC(C)C#CC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100309529 792581966 /nfs/dbraw/zinc/58/19/66/792581966.db2.gz ZWFBNYJKRKEZCT-UHFFFAOYSA-N 0 3 302.393 2.470 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100367549 792616275 /nfs/dbraw/zinc/61/62/75/792616275.db2.gz NHHWPXGRLRIFNF-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100567847 792723512 /nfs/dbraw/zinc/72/35/12/792723512.db2.gz FKWHNEPOHZPHAP-UHFFFAOYSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCCCC(=O)NCC1CC(N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001100623282 792754744 /nfs/dbraw/zinc/75/47/44/792754744.db2.gz GULRWEPGSUFBRJ-XGNXJENSSA-N 0 3 305.426 2.015 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001100715396 792807711 /nfs/dbraw/zinc/80/77/11/792807711.db2.gz KLIYTDSBXJSCJY-HSBZDZAISA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)COCc2ccccc2)C1 ZINC001100970764 792948358 /nfs/dbraw/zinc/94/83/58/792948358.db2.gz NTGDDVXEMGTYIG-UHFFFAOYSA-N 0 3 322.836 2.440 20 30 DEEDHN N#Cc1ccc(N2CCN(C3C[C@@H]4C=C[C@H](C3)O4)CC2)c(F)c1 ZINC001172243899 793383746 /nfs/dbraw/zinc/38/37/46/793383746.db2.gz INRYBRVSZAPLKQ-MQVJKMGUSA-N 0 3 313.376 2.305 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(C3CC3)CCC2)C1 ZINC001150037032 793424891 /nfs/dbraw/zinc/42/48/91/793424891.db2.gz SAVCEWUCYWQTGN-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN CCOC(=O)c1cnc2n1CCN([C@@H](C)CCCC#N)CC2 ZINC001172497769 793439405 /nfs/dbraw/zinc/43/94/05/793439405.db2.gz FOYFYBKFOMKFQD-ZDUSSCGKSA-N 0 3 304.394 2.000 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@H]2CC=CCC2)[C@H](C)C1 ZINC001102227555 793537108 /nfs/dbraw/zinc/53/71/08/793537108.db2.gz HYDMYEVJANQHOZ-FGTMMUONSA-N 0 3 318.461 2.067 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC[C@@](C)(O)C2)C[C@H]1C#N ZINC001172983446 793551005 /nfs/dbraw/zinc/55/10/05/793551005.db2.gz GAJBGPDQYKRHFH-JKIFEVAISA-N 0 3 323.437 2.125 20 30 DEEDHN C=CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CCN(CC)C1 ZINC001173351399 793686132 /nfs/dbraw/zinc/68/61/32/793686132.db2.gz AMGCIPHYSGMKFX-IRXDYDNUSA-N 0 3 302.418 2.011 20 30 DEEDHN C[C@H](N)c1ccn(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n1 ZINC001173427438 793727812 /nfs/dbraw/zinc/72/78/12/793727812.db2.gz WBGXTKIMDMKWPG-ZDUSSCGKSA-N 0 3 323.400 2.252 20 30 DEEDHN CN(C)Cc1ccccc1Nc1cc(=O)[nH]c2c(C#N)cnn21 ZINC001173929332 793871831 /nfs/dbraw/zinc/87/18/31/793871831.db2.gz PIPXBDZHCLXCBH-UHFFFAOYSA-N 0 3 308.345 2.112 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099945643 793971483 /nfs/dbraw/zinc/97/14/83/793971483.db2.gz ZOKWEXIOTKOQJO-JKSUJKDBSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC1(C(=O)NCCCNCC(=C)Cl)CCOCC1 ZINC001174817928 794071811 /nfs/dbraw/zinc/07/18/11/794071811.db2.gz JPSNSDFSTOEYJP-UHFFFAOYSA-N 0 3 300.830 2.208 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001174848703 794085052 /nfs/dbraw/zinc/08/50/52/794085052.db2.gz GMGOZPYBQSSZGR-LSDHHAIUSA-N 0 3 321.469 2.182 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001175083042 794136180 /nfs/dbraw/zinc/13/61/80/794136180.db2.gz UJWQCJOAHJAWNO-RHSMWYFYSA-N 0 3 321.469 2.182 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1C ZINC001103916316 794303067 /nfs/dbraw/zinc/30/30/67/794303067.db2.gz FRKUIVGDCJERDT-MRVWCRGKSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](Cc1ccccc1)OC ZINC001176537746 794449073 /nfs/dbraw/zinc/44/90/73/794449073.db2.gz DMJVNVKPLMOFQE-HNNXBMFYSA-N 0 3 310.825 2.093 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)CCCn1cccc1 ZINC001176795844 794496575 /nfs/dbraw/zinc/49/65/75/794496575.db2.gz ZVDWEUXIHKWYBD-UHFFFAOYSA-N 0 3 324.428 2.436 20 30 DEEDHN C=CCCOCC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001176800957 794513496 /nfs/dbraw/zinc/51/34/96/794513496.db2.gz FHLNVKKUTXBCMM-CQSZACIVSA-N 0 3 323.437 2.340 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCCOC)C1 ZINC001111930170 794528059 /nfs/dbraw/zinc/52/80/59/794528059.db2.gz JBTYXFCREITEMW-RYRKJORJSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2cccs2)C1 ZINC001111974797 794538305 /nfs/dbraw/zinc/53/83/05/794538305.db2.gz CQVDCAWMYIJWPN-YOEHRIQHSA-N 0 3 302.443 2.285 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1C(F)(F)F ZINC001112077773 794555947 /nfs/dbraw/zinc/55/59/47/794555947.db2.gz HZUPGUIKSROMGG-ITGHMWBKSA-N 0 3 314.351 2.035 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1C(F)(F)F ZINC001112160072 794566726 /nfs/dbraw/zinc/56/67/26/794566726.db2.gz QONFXDWBJANPSL-VXGBXAGGSA-N 0 3 302.340 2.179 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238494 794616722 /nfs/dbraw/zinc/61/67/22/794616722.db2.gz ZEOJMYZZWVYSQJ-UHFFFAOYSA-N 0 3 323.784 2.311 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@]1(C)OCCc2ccccc21 ZINC001177401659 794660749 /nfs/dbraw/zinc/66/07/49/794660749.db2.gz XQQUHJKTCUDXRC-QGZVFWFLSA-N 0 3 322.836 2.323 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)c1ccccc1OC ZINC001115138409 794687355 /nfs/dbraw/zinc/68/73/55/794687355.db2.gz SRQGEYSBMJIZOK-RGPZOAQRSA-N 0 3 314.429 2.421 20 30 DEEDHN N#CCOc1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001177764833 794744552 /nfs/dbraw/zinc/74/45/52/794744552.db2.gz LQGRXSZYMVBSEX-UHFFFAOYSA-N 0 3 308.341 2.461 20 30 DEEDHN CCc1nocc1CNC1(CNC(=O)[C@H](C)C#N)CCCCC1 ZINC001115451790 794777705 /nfs/dbraw/zinc/77/77/05/794777705.db2.gz GQXHZCOMYYVVMB-CYBMUJFWSA-N 0 3 318.421 2.305 20 30 DEEDHN Cc1ncoc1CNC1(CNC(=O)[C@@H](C)C#N)CCCCC1 ZINC001115453239 794778746 /nfs/dbraw/zinc/77/87/46/794778746.db2.gz LJYRKUZUQSVURM-LBPRGKRZSA-N 0 3 304.394 2.051 20 30 DEEDHN CO[C@@H](C)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001177942024 794787369 /nfs/dbraw/zinc/78/73/69/794787369.db2.gz LEUUPCKCBBGMLX-HNNXBMFYSA-N 0 3 317.433 2.359 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCC(=O)N[C@@H](C)CCC)[C@@H]1C ZINC001178805741 795000144 /nfs/dbraw/zinc/00/01/44/795000144.db2.gz LHKARCSQEOKRSV-JYJNAYRXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001179364137 795106770 /nfs/dbraw/zinc/10/67/70/795106770.db2.gz FELNEBBVXLNNKW-YCPHGPKFSA-N 0 3 304.438 2.101 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)c2n[nH]c(CC)n2)[C@@H]1C ZINC001179464237 795119722 /nfs/dbraw/zinc/11/97/22/795119722.db2.gz XJVAOSYWAAZVJH-IHRRRGAJSA-N 0 3 319.453 2.363 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001180332587 795284772 /nfs/dbraw/zinc/28/47/72/795284772.db2.gz RRDNQCHEZJOSBI-LBPRGKRZSA-N 0 3 323.824 2.257 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001119755197 795350401 /nfs/dbraw/zinc/35/04/01/795350401.db2.gz OODBNSKHYLDPPM-AWEZNQCLSA-N 0 3 319.380 2.396 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2nccn2CC)C1 ZINC001180846785 795374064 /nfs/dbraw/zinc/37/40/64/795374064.db2.gz XKJUZIYUIFYZPR-CRAIPNDOSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)N(CC(C)C)C(C)C)C1 ZINC001181518046 795496967 /nfs/dbraw/zinc/49/69/67/795496967.db2.gz ULCWKPWBMRQWTM-MRXNPFEDSA-N 0 3 323.481 2.036 20 30 DEEDHN C#C[C@H](NC1CCC2(CS(=O)(=O)C2)CC1)c1ccc(F)cc1 ZINC001182021200 795596198 /nfs/dbraw/zinc/59/61/98/795596198.db2.gz SQAGPGMWOJSDFB-INIZCTEOSA-N 0 3 321.417 2.447 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001121497469 795640108 /nfs/dbraw/zinc/64/01/08/795640108.db2.gz RUHYQXJFVXMNEI-KKUMJFAQSA-N 0 3 301.438 2.120 20 30 DEEDHN C#CC1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC=C)CC1 ZINC001121497282 795640137 /nfs/dbraw/zinc/64/01/37/795640137.db2.gz PMGKERNXEUFCOB-INIZCTEOSA-N 0 3 313.449 2.123 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC001121862590 795697454 /nfs/dbraw/zinc/69/74/54/795697454.db2.gz KNHXNCAVCXBREY-PMPSAXMXSA-N 0 3 323.481 2.213 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001182544375 795704708 /nfs/dbraw/zinc/70/47/08/795704708.db2.gz CGWCQKYKNQMCMB-NVXWUHKLSA-N 0 3 306.450 2.328 20 30 DEEDHN N#CC1(NC(=O)[C@@H]2CCCN2CC2CC2)Cc2ccccc2C1 ZINC001182561457 795707326 /nfs/dbraw/zinc/70/73/26/795707326.db2.gz SVUZTSPIULFAEI-KRWDZBQOSA-N 0 3 309.413 2.038 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC001121946082 795707544 /nfs/dbraw/zinc/70/75/44/795707544.db2.gz LPLFXKOXIVPMQJ-DLBZAZTESA-N 0 3 301.434 2.185 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001121996330 795715138 /nfs/dbraw/zinc/71/51/38/795715138.db2.gz GGPOFCYGNUXTNT-HNNXBMFYSA-N 0 3 321.396 2.284 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(c2nccc(C)n2)CC1 ZINC001122419201 795755948 /nfs/dbraw/zinc/75/59/48/795755948.db2.gz YKRSMBOJLDYOOE-HNNXBMFYSA-N 0 3 302.422 2.175 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001122451993 795759637 /nfs/dbraw/zinc/75/96/37/795759637.db2.gz GYSULKOZERTTQV-SCRDCRAPSA-N 0 3 316.357 2.158 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@H](NCc2cccnc2)C1)OCC ZINC001182953710 795782857 /nfs/dbraw/zinc/78/28/57/795782857.db2.gz GZGRORSBCBNRDT-SJORKVTESA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)CCc2ccc(F)cc2)C1 ZINC001183134424 795811493 /nfs/dbraw/zinc/81/14/93/795811493.db2.gz ILDPVKQHAKEYAN-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2C=CCC2)cc1F ZINC001123321569 795891893 /nfs/dbraw/zinc/89/18/93/795891893.db2.gz CKZRMVMAWIWJOM-CYBMUJFWSA-N 0 3 301.365 2.259 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C[C@H]2C=CCC2)ccc1F ZINC001123323417 795892802 /nfs/dbraw/zinc/89/28/02/795892802.db2.gz PSOHBXJXLABUBF-ZDUSSCGKSA-N 0 3 301.365 2.259 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(C)cc2Cl)C1 ZINC001183711847 795919984 /nfs/dbraw/zinc/91/99/84/795919984.db2.gz IVYFKPPIXSEETG-OAHLLOKOSA-N 0 3 304.821 2.405 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cnns2)[C@@H](C)C1 ZINC001184076947 795981455 /nfs/dbraw/zinc/98/14/55/795981455.db2.gz DSLNGHRDRUDSRW-STQMWFEESA-N 0 3 308.451 2.079 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC001184050002 795984364 /nfs/dbraw/zinc/98/43/64/795984364.db2.gz SOWOLENMMKVGBF-QGZVFWFLSA-N 0 3 307.397 2.305 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2ccn(CC)n2)[C@@H](C)C1 ZINC001184079093 795989853 /nfs/dbraw/zinc/98/98/53/795989853.db2.gz STLLBTPXLVWXTB-HOTGVXAUSA-N 0 3 318.465 2.443 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001124895052 796094416 /nfs/dbraw/zinc/09/44/16/796094416.db2.gz CQVZJCTTYYJRPX-VIFPVBQESA-N 0 3 300.189 2.359 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)OCc2cccc(C)c2)C1 ZINC001184646005 796099013 /nfs/dbraw/zinc/09/90/13/796099013.db2.gz PEUUQRZJXNIMEV-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001184745746 796119926 /nfs/dbraw/zinc/11/99/26/796119926.db2.gz BHWCDZVBZFFJJC-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCOc1ccc(CN2CCCC[C@@](O)(CF)C2)cc1OC ZINC001138342698 796200039 /nfs/dbraw/zinc/20/00/39/796200039.db2.gz AXMJMKZXYLVAHE-GOSISDBHSA-N 0 3 321.392 2.394 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@H](C)[C@H]2CO)cc1OC ZINC001138343566 796201692 /nfs/dbraw/zinc/20/16/92/796201692.db2.gz MRCJQDVGMQBODH-GDBMZVCRSA-N 0 3 303.402 2.300 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCC(=O)NCCC(C)(C)C)C1 ZINC001185304765 796233202 /nfs/dbraw/zinc/23/32/02/796233202.db2.gz MRNMWHPFYJTWCV-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001138558299 796235192 /nfs/dbraw/zinc/23/51/92/796235192.db2.gz PRYBEEWKOHVQDV-IBGZPJMESA-N 0 3 312.413 2.333 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H](NCc2conc2C)C12CCC2 ZINC001202846537 796242645 /nfs/dbraw/zinc/24/26/45/796242645.db2.gz LOMWFUBADCYCCH-JKSUJKDBSA-N 0 3 315.417 2.304 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2cnc(C)o2)C12CCC2 ZINC001202847449 796244659 /nfs/dbraw/zinc/24/46/59/796244659.db2.gz SRZQWJWUWHNFIB-HOTGVXAUSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3[C@H](C(=O)OCC)[C@H]3C2)c1[O-] ZINC001138630049 796247470 /nfs/dbraw/zinc/24/74/70/796247470.db2.gz OXVMHAYFTIIBJK-ZSHCYNCHSA-N 0 3 301.386 2.362 20 30 DEEDHN C=CCc1cccc(C[N@H+]2C[C@H]3[C@H](C(=O)OCC)[C@H]3C2)c1[O-] ZINC001138630049 796247473 /nfs/dbraw/zinc/24/74/73/796247473.db2.gz OXVMHAYFTIIBJK-ZSHCYNCHSA-N 0 3 301.386 2.362 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001185931173 796339966 /nfs/dbraw/zinc/33/99/66/796339966.db2.gz BAKIOQLRNQNAEV-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(NCCc1ccc(F)cc1)N1CCC2SC(=O)C=C2C1 ZINC001186257304 796386041 /nfs/dbraw/zinc/38/60/41/796386041.db2.gz SQEBBFNSBFUJQP-CQSZACIVSA-N 0 3 320.389 2.352 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001186479010 796407057 /nfs/dbraw/zinc/40/70/57/796407057.db2.gz CQZAWILKZDTNGA-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN CCC1=NC2(CCN(Cc3ccc(C)c(C#N)c3)CC2)C(=O)N1C ZINC001139727080 796417562 /nfs/dbraw/zinc/41/75/62/796417562.db2.gz HOCDZUWXUWWMFD-UHFFFAOYSA-N 0 3 324.428 2.482 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001139865519 796438410 /nfs/dbraw/zinc/43/84/10/796438410.db2.gz JSKCZMSYNQLCTJ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001139869381 796439520 /nfs/dbraw/zinc/43/95/20/796439520.db2.gz HZZWWPLTEFSZQS-SFHVURJKSA-N 0 3 324.428 2.207 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2cccc(OCCC)c2)C1 ZINC001186911735 796462712 /nfs/dbraw/zinc/46/27/12/796462712.db2.gz IANFUNRLWITIEZ-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N(CCC)CCN1CCCCC1 ZINC001140513507 796533565 /nfs/dbraw/zinc/53/35/65/796533565.db2.gz AFFLALOCMZLHCJ-UHFFFAOYSA-N 0 3 310.438 2.220 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3CC(C)(C)C3)[C@@H]2C1 ZINC001187742861 796572991 /nfs/dbraw/zinc/57/29/91/796572991.db2.gz GWMOMINVEJNFGY-GOEBONIOSA-N 0 3 306.450 2.158 20 30 DEEDHN CCCCCCCCS(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC001188010396 796609506 /nfs/dbraw/zinc/60/95/06/796609506.db2.gz LGBFXAABXMRHQK-GASCZTMLSA-N 0 3 302.484 2.170 20 30 DEEDHN O=C1C=C2CN(Cc3ccc4c(c3)OCCO4)CCC2S1 ZINC001141037281 796623248 /nfs/dbraw/zinc/62/32/48/796623248.db2.gz KHIXJJYKCSVRKJ-OAHLLOKOSA-N 0 3 303.383 2.232 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001188211060 796644859 /nfs/dbraw/zinc/64/48/59/796644859.db2.gz QVCHQYHYOYCUGT-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001188287389 796655632 /nfs/dbraw/zinc/65/56/32/796655632.db2.gz KECCVSITBXOHOS-MRXNPFEDSA-N 0 3 306.381 2.109 20 30 DEEDHN CN(Cc1ccc(Oc2ccc(C#N)cc2)cc1)C[C@@H](O)CO ZINC001141289803 796657010 /nfs/dbraw/zinc/65/70/10/796657010.db2.gz PCIMABVTAQGSMS-MRXNPFEDSA-N 0 3 312.369 2.136 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccnn1C1CCCCC1 ZINC000838623987 796671837 /nfs/dbraw/zinc/67/18/37/796671837.db2.gz ALMWHRDADSSVNB-UHFFFAOYSA-N 0 3 317.437 2.465 20 30 DEEDHN CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959819 796747879 /nfs/dbraw/zinc/74/78/79/796747879.db2.gz YTZLKHNCWCLDLW-OAHLLOKOSA-N 0 3 321.421 2.115 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2ccnc3[nH]ccc32)C1 ZINC001142887599 796781075 /nfs/dbraw/zinc/78/10/75/796781075.db2.gz DCTJVAODFNMUQG-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN CC(C)OCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189205188 796784184 /nfs/dbraw/zinc/78/41/84/796784184.db2.gz IFCRBJFQFZOLJM-QGZVFWFLSA-N 0 3 315.417 2.016 20 30 DEEDHN N#Cc1ccc2c(CN3CCC[C@@]4(CCNC4=O)C3)c[nH]c2c1 ZINC001142915939 796784908 /nfs/dbraw/zinc/78/49/08/796784908.db2.gz JZDVLFICPFPNOG-GOSISDBHSA-N 0 3 308.385 2.142 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001189559713 796845065 /nfs/dbraw/zinc/84/50/65/796845065.db2.gz ALLXSLLNJSZXIJ-YESZJQIVSA-N 0 3 308.466 2.404 20 30 DEEDHN COc1ccccc1CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001150175888 796926095 /nfs/dbraw/zinc/92/60/95/796926095.db2.gz JBVLAOQBODNRLE-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN COc1cccc(CN(C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)c1 ZINC001190047621 796927117 /nfs/dbraw/zinc/92/71/17/796927117.db2.gz UWESWHODRAOWBY-QGZVFWFLSA-N 0 3 314.429 2.387 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)CCCCC(C)C)C1 ZINC001150461830 796944378 /nfs/dbraw/zinc/94/43/78/796944378.db2.gz JUUAUBWQPXTMTH-KRWDZBQOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC[C@H](C)[C@H](C(=O)NCCNCC#CCOC)c1ccccc1 ZINC001150640898 796964256 /nfs/dbraw/zinc/96/42/56/796964256.db2.gz CRPFZRXKZPLRPS-WMZOPIPTSA-N 0 3 316.445 2.172 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001150645669 796964291 /nfs/dbraw/zinc/96/42/91/796964291.db2.gz FMQOUQLDDGIZRD-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCc2cccs2)C1 ZINC001150691397 796969747 /nfs/dbraw/zinc/96/97/47/796969747.db2.gz BLLVUHPIYCOFIX-OAHLLOKOSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc2nsnc21 ZINC001190328811 796982162 /nfs/dbraw/zinc/98/21/62/796982162.db2.gz VEIIBJXVDOZNBO-NSHDSACASA-N 0 3 317.418 2.463 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2scnc2Cl)cc1 ZINC001151212418 797022327 /nfs/dbraw/zinc/02/23/27/797022327.db2.gz AJDSPDRIOHOZTA-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001151288549 797029828 /nfs/dbraw/zinc/02/98/28/797029828.db2.gz YETLLZPNVQKBFE-HOTGVXAUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001151334743 797035179 /nfs/dbraw/zinc/03/51/79/797035179.db2.gz NEGFMGLMLNCPDS-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@H](N(C)CCOCC(C)C)C2)CCC1 ZINC001190603922 797038483 /nfs/dbraw/zinc/03/84/83/797038483.db2.gz KQZYZFPFCHAEGP-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1nc(C(=O)NCCNCc2cccc(C#N)c2)sc1C ZINC001151440661 797046328 /nfs/dbraw/zinc/04/63/28/797046328.db2.gz BIBVYWOMIBCKNZ-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001151948227 797122736 /nfs/dbraw/zinc/12/27/36/797122736.db2.gz FOPHQDWRQYEACP-CQSZACIVSA-N 0 3 306.406 2.035 20 30 DEEDHN C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001151948227 797122739 /nfs/dbraw/zinc/12/27/39/797122739.db2.gz FOPHQDWRQYEACP-CQSZACIVSA-N 0 3 306.406 2.035 20 30 DEEDHN Cc1ccc(CC(=O)NCCNCc2ccc(C#N)s2)s1 ZINC001152318556 797169847 /nfs/dbraw/zinc/16/98/47/797169847.db2.gz QJVNQAODJPDWLL-UHFFFAOYSA-N 0 3 319.455 2.438 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001152370964 797178932 /nfs/dbraw/zinc/17/89/32/797178932.db2.gz VZSXFUXQQFDABC-CQSZACIVSA-N 0 3 308.397 2.355 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H](C)c2cc(C)ccc2C)C[C@H]1O ZINC001191646032 797240207 /nfs/dbraw/zinc/24/02/07/797240207.db2.gz UOUYBFIVKXKOAM-CGTJXYLNSA-N 0 3 316.445 2.492 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001191890082 797282383 /nfs/dbraw/zinc/28/23/83/797282383.db2.gz NRYSATJMFXQFIL-ZIAGYGMSSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2nc(C)cs2)CC1 ZINC001204381189 797305757 /nfs/dbraw/zinc/30/57/57/797305757.db2.gz YIMBNAGHZCPADD-UHFFFAOYSA-N 0 3 320.506 2.243 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001192027845 797306506 /nfs/dbraw/zinc/30/65/06/797306506.db2.gz COWDHZVJWCYBDD-ILOCAZANSA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001153728703 797383355 /nfs/dbraw/zinc/38/33/55/797383355.db2.gz SQMGMFNQPHAFNP-HUUCEWRRSA-N 0 3 315.889 2.440 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001192399299 797384757 /nfs/dbraw/zinc/38/47/57/797384757.db2.gz YBADGFIDEUUVHX-CYBMUJFWSA-N 0 3 316.392 2.157 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001153930631 797425630 /nfs/dbraw/zinc/42/56/30/797425630.db2.gz URFCFWDXBVKUMS-IAGOWNOFSA-N 0 3 318.465 2.320 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)C2CCCC2)c(F)c1 ZINC001154090665 797460159 /nfs/dbraw/zinc/46/01/59/797460159.db2.gz UJCPGFWQJBXYGZ-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccccc2)no1 ZINC001154140750 797472583 /nfs/dbraw/zinc/47/25/83/797472583.db2.gz YVEUOYPVWMANNR-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C=CCN(CC)[C@H](C)CNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001154215977 797488034 /nfs/dbraw/zinc/48/80/34/797488034.db2.gz PSZIEZOJIVLZGS-CYBMUJFWSA-N 0 3 313.401 2.154 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001154225280 797489864 /nfs/dbraw/zinc/48/98/64/797489864.db2.gz JYGWKULUROPOEJ-CQSZACIVSA-N 0 3 310.401 2.150 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccnc1C(F)F ZINC001154254700 797497358 /nfs/dbraw/zinc/49/73/58/797497358.db2.gz WPHDCNIISOLGFN-GFCCVEGCSA-N 0 3 309.360 2.483 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001193122358 797507118 /nfs/dbraw/zinc/50/71/18/797507118.db2.gz JCZRCJUUJOGNRB-NUEKZKHPSA-N 0 3 320.408 2.264 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2oc(CC)cc2C)C1 ZINC001193468560 797570615 /nfs/dbraw/zinc/57/06/15/797570615.db2.gz GRNYQNJQGJSSRD-HNNXBMFYSA-N 0 3 320.433 2.499 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001154743328 797602684 /nfs/dbraw/zinc/60/26/84/797602684.db2.gz ZBZMLMXCVSIPJE-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001193662612 797606111 /nfs/dbraw/zinc/60/61/11/797606111.db2.gz HNLADKJBFWDALG-SFHVURJKSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001193797829 797626821 /nfs/dbraw/zinc/62/68/21/797626821.db2.gz XKXXACWXAWJHJH-QGZVFWFLSA-N 0 3 320.408 2.104 20 30 DEEDHN CS[C@@H](C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001154929921 797640701 /nfs/dbraw/zinc/64/07/01/797640701.db2.gz GUNNIOJJQHHXCU-NSHDSACASA-N 0 3 309.410 2.045 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)cncc1Cl ZINC001155011277 797660854 /nfs/dbraw/zinc/66/08/54/797660854.db2.gz LCFZWAMUVULWBR-SNVBAGLBSA-N 0 3 314.216 2.462 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001155041057 797667099 /nfs/dbraw/zinc/66/70/99/797667099.db2.gz NJSCXWIJYCOISX-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001194420171 797724814 /nfs/dbraw/zinc/72/48/14/797724814.db2.gz OPDJIGQUQVBGHL-IRXDYDNUSA-N 0 3 302.418 2.483 20 30 DEEDHN CCCCO[C@@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155432266 797755837 /nfs/dbraw/zinc/75/58/37/797755837.db2.gz ATKSQBMSUGGLJR-HNNXBMFYSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001155478290 797768506 /nfs/dbraw/zinc/76/85/06/797768506.db2.gz UBHJDFLZPXSDGB-CYBMUJFWSA-N 0 3 315.392 2.309 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(OC)c1C ZINC001155490115 797770758 /nfs/dbraw/zinc/77/07/58/797770758.db2.gz UXVNGDJYVZFHAD-CQSZACIVSA-N 0 3 302.418 2.467 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](F)c1ccccc1 ZINC001155502944 797774046 /nfs/dbraw/zinc/77/40/46/797774046.db2.gz FMLLBTIZFYRTKX-WBVHZDCISA-N 0 3 320.408 2.174 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001194865553 797787252 /nfs/dbraw/zinc/78/72/52/797787252.db2.gz JPQSIJMRLRAFIG-CHWSQXEVSA-N 0 3 318.408 2.185 20 30 DEEDHN C=CCNC(=O)c1cccnc1N[C@H]1CNCc2ccsc21 ZINC001155565427 797792068 /nfs/dbraw/zinc/79/20/68/797792068.db2.gz OGWZCJJMZDPJGG-ZDUSSCGKSA-N 0 3 314.414 2.315 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sc(CC)nc1C ZINC001155796538 797849676 /nfs/dbraw/zinc/84/96/76/797849676.db2.gz HDEYKAGTMSAJAX-GFCCVEGCSA-N 0 3 307.463 2.477 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001155802136 797851204 /nfs/dbraw/zinc/85/12/04/797851204.db2.gz ISJALSFLNWTDGH-OAHLLOKOSA-N 0 3 311.429 2.479 20 30 DEEDHN N#Cc1cnc(Cl)cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155824859 797857072 /nfs/dbraw/zinc/85/70/72/797857072.db2.gz WPGDJGWMIUJKEY-DZGCQCFKSA-N 0 3 306.797 2.320 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ccncc1F ZINC001156087288 797922616 /nfs/dbraw/zinc/92/26/16/797922616.db2.gz YBAONEVKLZBGAW-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001195549437 797923719 /nfs/dbraw/zinc/92/37/19/797923719.db2.gz YJQLBVGFAPMHSC-USXIJHARSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H]1O ZINC001195732809 797945163 /nfs/dbraw/zinc/94/51/63/797945163.db2.gz KOXYPSYLNAHOIT-FGTMMUONSA-N 0 3 314.429 2.192 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2c(F)cncc2F)CC1 ZINC001195982173 797987840 /nfs/dbraw/zinc/98/78/40/797987840.db2.gz OXZFGYMCEVOELU-UHFFFAOYSA-N 0 3 309.360 2.474 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=O)c3cc4cc(C#N)ccc4[nH]3)C[C@H]21 ZINC001156456936 798005013 /nfs/dbraw/zinc/00/50/13/798005013.db2.gz LOYDJRAJCILSDP-CXAGYDPISA-N 0 3 308.385 2.206 20 30 DEEDHN N#Cc1c(Cl)ncnc1-n1cncc1CNCc1ccccc1 ZINC001156482908 798012921 /nfs/dbraw/zinc/01/29/21/798012921.db2.gz ZMVGOQKTSGSZIS-UHFFFAOYSA-N 0 3 324.775 2.477 20 30 DEEDHN CN1CCC[C@H]2CN(C(=S)Nc3ccccc3C#N)C[C@@H]21 ZINC001196314210 798033513 /nfs/dbraw/zinc/03/35/13/798033513.db2.gz TZHAKOBGFSKUGI-ZFWWWQNUSA-N 0 3 300.431 2.281 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N(CC)CC#CC)CCOCC1 ZINC001156630003 798046176 /nfs/dbraw/zinc/04/61/76/798046176.db2.gz XQUHKVIBCWUEMZ-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC001196394192 798049504 /nfs/dbraw/zinc/04/95/04/798049504.db2.gz CIORBQAEHMILFJ-UHFFFAOYSA-N 0 3 316.449 2.403 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)n1cccc1 ZINC001156657086 798056367 /nfs/dbraw/zinc/05/63/67/798056367.db2.gz NYKDTSKGFNCRDE-LBPRGKRZSA-N 0 3 314.227 2.054 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(OC)c1OC ZINC001156667847 798058133 /nfs/dbraw/zinc/05/81/33/798058133.db2.gz HHQPHXGQCXRRAI-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCn2nc(C)cc2C)CC1 ZINC001197308532 798171317 /nfs/dbraw/zinc/17/13/17/798171317.db2.gz OXHVWCOWYJHYPO-UHFFFAOYSA-N 0 3 318.465 2.391 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccoc1CC ZINC001157325218 798183224 /nfs/dbraw/zinc/18/32/24/798183224.db2.gz UPTNCDDCQUFSAT-UHFFFAOYSA-N 0 3 315.211 2.460 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cc[nH]c1CC ZINC001157419829 798202266 /nfs/dbraw/zinc/20/22/66/798202266.db2.gz NKRYRUCNAQHCSI-UHFFFAOYSA-N 0 3 314.227 2.195 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC001197722190 798230866 /nfs/dbraw/zinc/23/08/66/798230866.db2.gz XXIFOHQTTBLENA-LBPRGKRZSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001197774969 798236775 /nfs/dbraw/zinc/23/67/75/798236775.db2.gz BYKSZTTYMVDNRZ-ARFHVFGLSA-N 0 3 314.445 2.422 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CN(C)C[C@H]1CCCCO1 ZINC001157705651 798263148 /nfs/dbraw/zinc/26/31/48/798263148.db2.gz HPJMJXGZJFUXKX-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cn(C2CCC2)nn1 ZINC001157967817 798317267 /nfs/dbraw/zinc/31/72/67/798317267.db2.gz WMHLKLOPGYZMFO-OAHLLOKOSA-N 0 3 317.437 2.116 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1oc(CC2CC2)nc1C ZINC001158156854 798352287 /nfs/dbraw/zinc/35/22/87/798352287.db2.gz FEBQCUJPXIRYDU-UHFFFAOYSA-N 0 3 311.813 2.398 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCOC[C@@H]1CCCO1 ZINC001158171864 798353097 /nfs/dbraw/zinc/35/30/97/798353097.db2.gz MGCKEKRBISAVIJ-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CCCC[C@@H]1CN(C)CC#N ZINC001158631493 798441568 /nfs/dbraw/zinc/44/15/68/798441568.db2.gz SYKCCYWPEDQQRK-QGZVFWFLSA-N 0 3 322.497 2.335 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ncccc1OC ZINC001158794874 798470712 /nfs/dbraw/zinc/47/07/12/798470712.db2.gz VBRTWXPJTMPTAN-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001158955696 798494576 /nfs/dbraw/zinc/49/45/76/798494576.db2.gz SLDWUSGZIGKKRH-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCCC)C[C@H]2O)CCCC1 ZINC001199567046 798500140 /nfs/dbraw/zinc/50/01/40/798500140.db2.gz ITCVEHIDRUXGMC-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)Nc1ccccc1 ZINC001159014560 798505947 /nfs/dbraw/zinc/50/59/47/798505947.db2.gz CAOYZNFBIXYUBJ-UHFFFAOYSA-N 0 3 303.406 2.077 20 30 DEEDHN C=CCOCC(=O)N1CCC(NCc2c(F)cccc2F)CC1 ZINC001199788436 798539519 /nfs/dbraw/zinc/53/95/19/798539519.db2.gz QCIMCBPAIGLUKP-UHFFFAOYSA-N 0 3 324.371 2.248 20 30 DEEDHN N#Cc1csc(CNC(=S)NCCN2CCCCC2)c1 ZINC001200444364 798630376 /nfs/dbraw/zinc/63/03/76/798630376.db2.gz GVJRTXTXZFRHLJ-UHFFFAOYSA-N 0 3 308.476 2.070 20 30 DEEDHN C=CCn1cccc1C(=O)NCCCNCc1nc(C)cs1 ZINC001159974756 798635208 /nfs/dbraw/zinc/63/52/08/798635208.db2.gz KUDNRSLFGAPVKN-UHFFFAOYSA-N 0 3 318.446 2.349 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=S)NCCN1CCCCC1 ZINC001200429957 798635481 /nfs/dbraw/zinc/63/54/81/798635481.db2.gz VZAHNLZYPUNUHF-UHFFFAOYSA-N 0 3 316.474 2.350 20 30 DEEDHN N#Cc1cc(NC(=S)NCC[NH+]2CCCCC2)ccc1[O-] ZINC001200432690 798636149 /nfs/dbraw/zinc/63/61/49/798636149.db2.gz WWDUOLACAUCDQX-UHFFFAOYSA-N 0 3 304.419 2.036 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCO1 ZINC001200546557 798647048 /nfs/dbraw/zinc/64/70/48/798647048.db2.gz GENWAVYNBOMGFP-GVDBMIGSSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(CCC)s2)CCCO1 ZINC001200606438 798661629 /nfs/dbraw/zinc/66/16/29/798661629.db2.gz UNWQETFFFLJDFD-AWEZNQCLSA-N 0 3 320.458 2.155 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001160410521 798684789 /nfs/dbraw/zinc/68/47/89/798684789.db2.gz AXFBQEAANBBJAA-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC001160622435 798712618 /nfs/dbraw/zinc/71/26/18/798712618.db2.gz DFAOPHYRLLZSFO-GOSISDBHSA-N 0 3 312.413 2.315 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C(F)F)nn2C)CC1 ZINC001160665825 798718197 /nfs/dbraw/zinc/71/81/97/798718197.db2.gz JGVZURKSNHRLGP-UHFFFAOYSA-N 0 3 324.375 2.296 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@H](CNCc2cncs2)C1 ZINC001201292113 798730988 /nfs/dbraw/zinc/73/09/88/798730988.db2.gz CLZOBZIQILYMPP-CQSZACIVSA-N 0 3 323.462 2.207 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(CCC)cc2)CCCO1 ZINC001201269167 798732318 /nfs/dbraw/zinc/73/23/18/798732318.db2.gz LBQIDQNKTLIAKU-GOSISDBHSA-N 0 3 314.429 2.093 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001160758727 798736760 /nfs/dbraw/zinc/73/67/60/798736760.db2.gz NSEYDXQZTQFXNM-HNNXBMFYSA-N 0 3 321.852 2.361 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CC(C)(C)COC)CC1 ZINC001160768592 798738675 /nfs/dbraw/zinc/73/86/75/798738675.db2.gz YSWJIIGSDZIZFT-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cc(C)c(Cl)cn1 ZINC001160868660 798751526 /nfs/dbraw/zinc/75/15/26/798751526.db2.gz NTRLNLIWEGYQIR-UHFFFAOYSA-N 0 3 316.232 2.434 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001161028496 798783115 /nfs/dbraw/zinc/78/31/15/798783115.db2.gz FLODOSZDYSRFFE-QGZVFWFLSA-N 0 3 311.429 2.436 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)CCCO1 ZINC001201872871 798806919 /nfs/dbraw/zinc/80/69/19/798806919.db2.gz SLWOVMDZRDRGSI-LJQANCHMSA-N 0 3 324.424 2.100 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCCO1 ZINC001202251989 798845410 /nfs/dbraw/zinc/84/54/10/798845410.db2.gz VSGBCLQFXXRRDG-IRXDYDNUSA-N 0 3 320.477 2.433 20 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799452393 /nfs/dbraw/zinc/45/23/93/799452393.db2.gz CATYQNGWMJJPGS-UHFFFAOYSA-N 0 3 310.829 2.269 20 30 DEEDHN CN(C)C1CN(c2ccc(COc3ccc(CC#N)cc3)cn2)C1 ZINC001163942940 799460275 /nfs/dbraw/zinc/46/02/75/799460275.db2.gz SYCAXEAFNBGWIU-UHFFFAOYSA-N 0 3 322.412 2.477 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OCC)C1CCCC1)C2 ZINC001110866224 799517110 /nfs/dbraw/zinc/51/71/10/799517110.db2.gz VGGIRNGWNQRUPZ-BDXSIMOUSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CCCC#CC ZINC001164263064 799556217 /nfs/dbraw/zinc/55/62/17/799556217.db2.gz UOTJEOMMIQELEB-UHFFFAOYSA-N 0 3 301.228 2.185 20 30 DEEDHN CC(C)C#CC(=O)NCCC1(CN[C@@H](C)c2cnccn2)CC1 ZINC001164464094 799603131 /nfs/dbraw/zinc/60/31/31/799603131.db2.gz NAIWZZBZLXPEGZ-HNNXBMFYSA-N 0 3 314.433 2.073 20 30 DEEDHN Cc1noc(C)c1CNCC1(CCNC(=O)C#CC2CC2)CC1 ZINC001164479072 799606499 /nfs/dbraw/zinc/60/64/99/799606499.db2.gz FLZOWUGXBJTBDM-UHFFFAOYSA-N 0 3 315.417 2.081 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc(C)oc3c1)C2 ZINC001095570963 799663181 /nfs/dbraw/zinc/66/31/81/799663181.db2.gz VTQPUXPFFXZZBU-PVAVHDDUSA-N 0 3 323.396 2.495 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCn3nccc31)C2 ZINC001095642495 799679930 /nfs/dbraw/zinc/67/99/30/799679930.db2.gz ZKWOFSSVSDEGPL-AESZEHBQSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C2 ZINC001110974264 799804973 /nfs/dbraw/zinc/80/49/73/799804973.db2.gz VPAPTTPATLBWSS-LPWJVIDDSA-N 0 3 302.340 2.320 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)CCC1 ZINC001110987595 799812795 /nfs/dbraw/zinc/81/27/95/799812795.db2.gz VZIADAXWUNCCMM-FPCVCCKLSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1(C)CC(=C)C1 ZINC001166249357 799850912 /nfs/dbraw/zinc/85/09/12/799850912.db2.gz RVGVZIGVIRNVQR-UHFFFAOYSA-N 0 3 301.228 2.347 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001166278621 799853864 /nfs/dbraw/zinc/85/38/64/799853864.db2.gz QVHJQKFITOANKH-YPMHNXCESA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(-c2ncon2)c1 ZINC001166497380 799877930 /nfs/dbraw/zinc/87/79/30/799877930.db2.gz KNZQYIZWVRRTDY-UHFFFAOYSA-N 0 3 320.780 2.199 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](CCC)OC)CC1 ZINC001166537814 799885028 /nfs/dbraw/zinc/88/50/28/799885028.db2.gz JZSRVGRVOCQGBV-CYBMUJFWSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccon2)CCN1Cc1ccc(C#N)cc1 ZINC000947089765 799939704 /nfs/dbraw/zinc/93/97/04/799939704.db2.gz PBKBQJQDUWJYSP-CJNGLKHVSA-N 0 3 324.384 2.329 20 30 DEEDHN C=CCn1ncc2ccc(NC(=O)N3CCCN(C)CC3)cc21 ZINC000933071372 800006085 /nfs/dbraw/zinc/00/60/85/800006085.db2.gz CVYZVCQCNCWOQT-UHFFFAOYSA-N 0 3 313.405 2.392 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC001203684078 800106730 /nfs/dbraw/zinc/10/67/30/800106730.db2.gz LWAVTTDXKHUSKD-CQSZACIVSA-N 0 3 320.389 2.277 20 30 DEEDHN N#CC1(CCCN2CCOC[C@@H]2C[C@H]2CCOC2)CCOCC1 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C#CCN[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1c1cccc(F)c1 ZINC001205419226 800355116 /nfs/dbraw/zinc/35/51/16/800355116.db2.gz FLXATXJPDPETAK-LSDHHAIUSA-N 0 3 324.346 2.388 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001205778318 800417286 /nfs/dbraw/zinc/41/72/86/800417286.db2.gz RGTMJAFLKOWFIF-CZUORRHYSA-N 0 3 306.381 2.078 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205954412 800450325 /nfs/dbraw/zinc/45/03/25/800450325.db2.gz FVWXTNFGBRVKBP-STQMWFEESA-N 0 3 322.478 2.325 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001206613872 800564759 /nfs/dbraw/zinc/56/47/59/800564759.db2.gz HNVDVJNQYFMXKL-SJLPKXTDSA-N 0 3 316.445 2.443 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001206640148 800569306 /nfs/dbraw/zinc/56/93/06/800569306.db2.gz DZLWLINTNPDRMA-XJKCOSOUSA-N 0 3 303.381 2.252 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cnc(C)n1C)CC2 ZINC001206792834 800593593 /nfs/dbraw/zinc/59/35/93/800593593.db2.gz 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C=C(C)CCC(=O)N1CCC[C@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001208262025 800943864 /nfs/dbraw/zinc/94/38/64/800943864.db2.gz WXYFZNMKGWVSMG-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN N#Cc1ccc(CCN2CCC[C@H](Oc3cnccn3)C2)cc1 ZINC001208929518 801095656 /nfs/dbraw/zinc/09/56/56/801095656.db2.gz UHECEFRDYPFUDH-KRWDZBQOSA-N 0 3 308.385 2.434 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001208954001 801100798 /nfs/dbraw/zinc/10/07/98/801100798.db2.gz CVDIZSPIHAOJAZ-GDBMZVCRSA-N 0 3 318.465 2.001 20 30 DEEDHN C#CCCCN1Cc2cncn2C[C@H](COCc2ccccn2)C1 ZINC001209267934 801163256 /nfs/dbraw/zinc/16/32/56/801163256.db2.gz YNGYNQNGMCKIKT-QGZVFWFLSA-N 0 3 324.428 2.340 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCC(=O)N[C@@H](C)C(C)C)C1 ZINC001209367071 801176067 /nfs/dbraw/zinc/17/60/67/801176067.db2.gz YDNCFRZTROHQMO-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOC(=O)N1CCC[C@]2(CCN(Cc3c[nH]nc3C)C2)C1 ZINC001209554963 801215857 /nfs/dbraw/zinc/21/58/57/801215857.db2.gz RLIILWSOZBIOOK-QGZVFWFLSA-N 0 3 318.421 2.329 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)CCC ZINC001229354836 801262033 /nfs/dbraw/zinc/26/20/33/801262033.db2.gz OFRGURXNIAJORN-BZUAXINKSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)N(C)C)C1 ZINC001210206110 801351457 /nfs/dbraw/zinc/35/14/57/801351457.db2.gz IYZQRSJYPKIICO-SUMDDJOVSA-N 0 3 315.461 2.086 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001210491238 801411808 /nfs/dbraw/zinc/41/18/08/801411808.db2.gz NDJOEPMEUCZBGY-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)nc1 ZINC001210728125 801454031 /nfs/dbraw/zinc/45/40/31/801454031.db2.gz IZLGWSIJWFEIFW-HUUCEWRRSA-N 0 3 303.381 2.005 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001210804936 801466520 /nfs/dbraw/zinc/46/65/20/801466520.db2.gz NFDTYZMSUGNYEI-OAHLLOKOSA-N 0 3 311.470 2.064 20 30 DEEDHN C=CCOCCCC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230720436 801473131 /nfs/dbraw/zinc/47/31/31/801473131.db2.gz HWDFBWGABVLOFR-UHFFFAOYSA-N 0 3 319.449 2.393 20 30 DEEDHN C#CCCN(CCCNC(=O)/C=C/C1CC1)Cc1cccnc1 ZINC001230721061 801475251 /nfs/dbraw/zinc/47/52/51/801475251.db2.gz WPRYGXMUPWIANS-MDZDMXLPSA-N 0 3 311.429 2.379 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2c(C)cccc2C)C1 ZINC001210858418 801476248 /nfs/dbraw/zinc/47/62/48/801476248.db2.gz KRZPIALGYHMAHV-IAGOWNOFSA-N 0 3 314.429 2.142 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2ccc(OC)cc2)C1 ZINC001210979402 801495799 /nfs/dbraw/zinc/49/57/99/801495799.db2.gz HEJFXLJPDGOWKX-RHSMWYFYSA-N 0 3 318.417 2.087 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC001210992792 801497018 /nfs/dbraw/zinc/49/70/18/801497018.db2.gz ZUSPIODGTBRSDR-HZPDHXFCSA-N 0 3 302.418 2.305 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001211466373 801572127 /nfs/dbraw/zinc/57/21/27/801572127.db2.gz ZCDIUFSDNIAPOQ-GDBMZVCRSA-N 0 3 320.408 2.387 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2CCC(F)CC2)[C@H](OC)C1 ZINC001213376820 801600757 /nfs/dbraw/zinc/60/07/57/801600757.db2.gz IYVFLTOFQUHGJF-QDIHITRGSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2occc2CC)[C@H](OC)C1 ZINC001213386936 801602815 /nfs/dbraw/zinc/60/28/15/801602815.db2.gz DDINKYLGZJOWAK-HUUCEWRRSA-N 0 3 306.406 2.237 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCc2ccccc21 ZINC001231240455 801614377 /nfs/dbraw/zinc/61/43/77/801614377.db2.gz KMFXUDDNHYBNDT-SJLPKXTDSA-N 0 3 314.429 2.409 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)COCCOC ZINC001231310694 801631172 /nfs/dbraw/zinc/63/11/72/801631172.db2.gz BUUPZZWAIQCUPH-MRXNPFEDSA-N 0 3 314.470 2.153 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@H](OC)C1 ZINC001213827235 801645376 /nfs/dbraw/zinc/64/53/76/801645376.db2.gz GVUKIMGKCJJENB-IAGOWNOFSA-N 0 3 319.449 2.037 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213961735 801658421 /nfs/dbraw/zinc/65/84/21/801658421.db2.gz OWTTWYVDCKHEBY-PNSADGCTSA-N 0 3 324.465 2.139 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NCC#Cc1ccccc1 ZINC001214132418 801680121 /nfs/dbraw/zinc/68/01/21/801680121.db2.gz XOZREMXWYXXSNM-CRAIPNDOSA-N 0 3 308.381 2.381 20 30 DEEDHN Cc1cccnc1CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C ZINC001214588960 801736916 /nfs/dbraw/zinc/73/69/16/801736916.db2.gz AXTSYTBJWCBSLA-NVXWUHKLSA-N 0 3 313.445 2.376 20 30 DEEDHN CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001214929719 801779324 /nfs/dbraw/zinc/77/93/24/801779324.db2.gz KARBZCGWTOCFDD-UKRRQHHQSA-N 0 3 320.437 2.203 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001215379546 801851556 /nfs/dbraw/zinc/85/15/56/801851556.db2.gz RJHZQGHRNVZSIU-CKEIUWERSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(OC)nc2)C1 ZINC001215427529 801860058 /nfs/dbraw/zinc/86/00/58/801860058.db2.gz BJEGQOFGHYVFDX-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1c[nH]c(C)n1)CC2 ZINC001232462373 801892072 /nfs/dbraw/zinc/89/20/72/801892072.db2.gz WFJQCIXDXMEGMF-KRWDZBQOSA-N 0 3 302.422 2.251 20 30 DEEDHN CCCCCCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001216526718 801983257 /nfs/dbraw/zinc/98/32/57/801983257.db2.gz UFUBIDJYBWINJG-QLFBSQMISA-N 0 3 311.470 2.047 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccc(F)cc3)[C@H]2C1 ZINC001217190591 802051441 /nfs/dbraw/zinc/05/14/41/802051441.db2.gz JSDCNLMQPFOVKH-DLBZAZTESA-N 0 3 318.392 2.317 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC001217248277 802060556 /nfs/dbraw/zinc/06/05/56/802060556.db2.gz CQYZBWIPSZERSY-LSDHHAIUSA-N 0 3 306.431 2.240 20 30 DEEDHN C#CC1CCN(Cc2cccn3cc(C(=O)OCC)nc23)CC1 ZINC001233460424 802122816 /nfs/dbraw/zinc/12/28/16/802122816.db2.gz ZNHYTNDLJGKVKX-UHFFFAOYSA-N 0 3 311.385 2.356 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H]2CN(CCCCCOC)C[C@@H]21 ZINC001218040602 802135559 /nfs/dbraw/zinc/13/55/59/802135559.db2.gz DRIFDVFTHWFVBI-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN CN[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)n1 ZINC001218590485 802211889 /nfs/dbraw/zinc/21/18/89/802211889.db2.gz YBGOCLCOHRAMEY-AWEZNQCLSA-N 0 3 314.776 2.376 20 30 DEEDHN N#Cc1oc2ccccc2c1NC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001218629122 802216815 /nfs/dbraw/zinc/21/68/15/802216815.db2.gz XHIIZZPLNUIRQO-NWHVRFAMSA-N 0 3 313.357 2.121 20 30 DEEDHN COC(=O)c1cc(C#N)cc(NC(=O)[C@@H](N)C2CCCCC2)c1 ZINC001219133565 802288680 /nfs/dbraw/zinc/28/86/80/802288680.db2.gz VSVJNIUCSUWUEQ-HNNXBMFYSA-N 0 3 315.373 2.191 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](O)C1 ZINC001219155243 802291968 /nfs/dbraw/zinc/29/19/68/802291968.db2.gz BAXXATGNWICJHO-ZACQAIPSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cnnn1CC ZINC001234099993 802294858 /nfs/dbraw/zinc/29/48/58/802294858.db2.gz PYWIZZDKYJERNE-HNNXBMFYSA-N 0 3 319.453 2.191 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CC[C@@H]1CCCCO1 ZINC001234162479 802315778 /nfs/dbraw/zinc/31/57/78/802315778.db2.gz SBYHZHIWQSZQRA-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)CSC)[C@@H](O)C1 ZINC001219368121 802318520 /nfs/dbraw/zinc/31/85/20/802318520.db2.gz GDZBUCJCKNSBAO-KFWWJZLASA-N 0 3 316.511 2.117 20 30 DEEDHN CN(C[C@@H]1CCN1CC[C@@H]1CCCO1)C(=O)C#CC(C)(C)C ZINC001234205221 802325504 /nfs/dbraw/zinc/32/55/04/802325504.db2.gz HRCLOWKCKFFTSO-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](O)C1 ZINC001219430981 802328868 /nfs/dbraw/zinc/32/88/68/802328868.db2.gz UIFNUXLKKPYBCM-YUELXQCFSA-N 0 3 306.406 2.026 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001234509519 802396727 /nfs/dbraw/zinc/39/67/27/802396727.db2.gz MQTYFZFJXDJNJD-GFCCVEGCSA-N 0 3 312.364 2.391 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001234529415 802404628 /nfs/dbraw/zinc/40/46/28/802404628.db2.gz YNOAWYQMKXOQLI-WBVHZDCISA-N 0 3 318.465 2.327 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(CCF)CC2)[C@@H](O)C1 ZINC001220056834 802406837 /nfs/dbraw/zinc/40/68/37/802406837.db2.gz HQNDEVIKWOPVRZ-CABCVRRESA-N 0 3 312.429 2.034 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@@H](O)C1 ZINC001220151423 802416535 /nfs/dbraw/zinc/41/65/35/802416535.db2.gz QWDITQFYEQPPFR-RYRKJORJSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)CC(=C)C)[C@@H](O)C1 ZINC001220200973 802425577 /nfs/dbraw/zinc/42/55/77/802425577.db2.gz BJDUHEKVSCANNV-BBWFWOEESA-N 0 3 308.466 2.496 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220205777 802427217 /nfs/dbraw/zinc/42/72/17/802427217.db2.gz MAAUNFPPIQFQIR-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@](C)(C=C)CC)[C@@H](O)C1 ZINC001220293533 802441155 /nfs/dbraw/zinc/44/11/55/802441155.db2.gz KNADQQQRHUPVRT-SOLBZPMBSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001220351686 802449026 /nfs/dbraw/zinc/44/90/26/802449026.db2.gz DVGOVXZFPOIXJK-CVEARBPZSA-N 0 3 317.433 2.023 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H](O)C1 ZINC001220722859 802489974 /nfs/dbraw/zinc/48/99/74/802489974.db2.gz RSLAGQBURUFWER-SJORKVTESA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001220893750 802509230 /nfs/dbraw/zinc/50/92/30/802509230.db2.gz RCEPITVPNMGBJC-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CC=C)c2ccccc2)[C@@H](O)C1 ZINC001221029110 802522692 /nfs/dbraw/zinc/52/26/92/802522692.db2.gz KSLHHLLJIQIYMK-KURKYZTESA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001221093434 802527214 /nfs/dbraw/zinc/52/72/14/802527214.db2.gz MRDJAJITWXSFAL-SJORKVTESA-N 0 3 316.445 2.092 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@H](C)C2CC2)[C@@H](O)C1 ZINC001221108392 802529270 /nfs/dbraw/zinc/52/92/70/802529270.db2.gz VTVJZOJOEZVVKE-UAGQMJEPSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)CCCC1 ZINC001221191259 802535947 /nfs/dbraw/zinc/53/59/47/802535947.db2.gz MHMSSOQAPJAICV-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCN(C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221514522 802585739 /nfs/dbraw/zinc/58/57/39/802585739.db2.gz CLWMWMNIHBVUNY-BRWVUGGUSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001221517786 802587413 /nfs/dbraw/zinc/58/74/13/802587413.db2.gz JWJUOQYPADJVNO-ZHALLVOQSA-N 0 3 314.429 2.046 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC001221752294 802611128 /nfs/dbraw/zinc/61/11/28/802611128.db2.gz MWQRHQTYERPCIM-OWCLPIDISA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC(=C)C)[C@@H]2C1 ZINC001221760561 802612379 /nfs/dbraw/zinc/61/23/79/802612379.db2.gz JIDJPUYVNGWXAF-GVDBMIGSSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001222051974 802635503 /nfs/dbraw/zinc/63/55/03/802635503.db2.gz PCGLUGFOUWFWPT-USXIJHARSA-N 0 3 306.450 2.158 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](OCC)C(C)C)C[C@@H]21 ZINC001222892352 802747408 /nfs/dbraw/zinc/74/74/08/802747408.db2.gz MKLNZSSYTOGMFH-SQNIBIBYSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC001223781093 802815266 /nfs/dbraw/zinc/81/52/66/802815266.db2.gz MYQIDPOKKOQCGD-UHFFFAOYSA-N 0 3 314.429 2.008 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cc(F)c(C)cc2F)CC1 ZINC001223904056 802821938 /nfs/dbraw/zinc/82/19/38/802821938.db2.gz NNCNQSJWHLHRDO-UHFFFAOYSA-N 0 3 320.383 2.277 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](OCC#C[Si](C)(C)C)C[C@H]1N2C ZINC001224617713 802885602 /nfs/dbraw/zinc/88/56/02/802885602.db2.gz UWFWZTVFMZUDOG-JONQDZQNSA-N 0 3 309.482 2.051 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCC#C[Si](C)(C)C)C[C@H]1N2C ZINC001224617712 802885900 /nfs/dbraw/zinc/88/59/00/802885900.db2.gz UWFWZTVFMZUDOG-CAOSSQGBSA-N 0 3 309.482 2.051 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@@H]2CCCOC2)CC1 ZINC001225038008 802929632 /nfs/dbraw/zinc/92/96/32/802929632.db2.gz LINQGBPKDOENFY-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)CCC ZINC001225283342 802950315 /nfs/dbraw/zinc/95/03/15/802950315.db2.gz JLKDSEQEVNBDHM-ARFHVFGLSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCOc2ccccc2F)CC1 ZINC001225332965 802955819 /nfs/dbraw/zinc/95/58/19/802955819.db2.gz IWYSGICJGFRUPF-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COc2ccc(F)cc2)CC1 ZINC001225393424 802960576 /nfs/dbraw/zinc/96/05/76/802960576.db2.gz JVPQGNRKWROGIY-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NCCF)OCC ZINC001226554277 803124103 /nfs/dbraw/zinc/12/41/03/803124103.db2.gz NMGWFJVTDNZEAR-KFWWJZLASA-N 0 3 300.418 2.344 20 30 DEEDHN C=CCc1c(O)ccc(C(C)=O)c1OCCN1CC[C@@H](OC)C1 ZINC001227122165 803204786 /nfs/dbraw/zinc/20/47/86/803204786.db2.gz JEJZBISZIDFHEQ-CQSZACIVSA-N 0 3 319.401 2.423 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001228370240 803351120 /nfs/dbraw/zinc/35/11/20/803351120.db2.gz DOZUJJFRQFKWGM-RDJZCZTQSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NC1CCN(CCOCC2CC2)CC1 ZINC001228748171 803405264 /nfs/dbraw/zinc/40/52/64/803405264.db2.gz JXQBCQFAUAXBBI-CABCVRRESA-N 0 3 308.466 2.452 20 30 DEEDHN CCCCC(=O)NC[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001418201904 1167482587 /nfs/dbraw/zinc/48/25/87/1167482587.db2.gz WABJCQRFXKLIEY-CYBMUJFWSA-N 0 3 303.406 2.351 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1C(=O)CN(C)CCC ZINC001334877931 1150350614 /nfs/dbraw/zinc/35/06/14/1150350614.db2.gz SAHZAJFCQBGEBP-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](CNCc1cncn1C)C1CC1 ZINC001331336477 1149421492 /nfs/dbraw/zinc/42/14/92/1149421492.db2.gz ZVBDZCWYPBIOED-INIZCTEOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001335262809 1150391040 /nfs/dbraw/zinc/39/10/40/1150391040.db2.gz IHXQLVIDAMWPIK-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001331598824 1149548388 /nfs/dbraw/zinc/54/83/88/1149548388.db2.gz XAAUGWXRXYYKJA-CYBMUJFWSA-N 0 3 324.371 2.324 20 30 DEEDHN CC[C@@H](C)OCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001370357515 1149574950 /nfs/dbraw/zinc/57/49/50/1149574950.db2.gz CDSRWGPKILGYML-OLZOCXBDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C[C@@H](O)c1nnc(N2CCN([C@H](C)CC)CC2)n1CC(C)C ZINC001342994407 1150649543 /nfs/dbraw/zinc/64/95/43/1150649543.db2.gz RKVAWJIRIHWDQN-HUUCEWRRSA-N 0 3 321.469 2.074 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCN([C@H](C)CC)CC1 ZINC001343038466 1150663604 /nfs/dbraw/zinc/66/36/04/1150663604.db2.gz MIABHBUWWSAHCX-CABCVRRESA-N 0 3 321.469 2.218 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001327213409 1148399389 /nfs/dbraw/zinc/39/93/89/1148399389.db2.gz SEWCWFBMXLQBTD-OAHLLOKOSA-N 0 3 320.408 2.397 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](CO)N[C@H]1CCc2c1cccc2F ZINC001331774312 1149669461 /nfs/dbraw/zinc/66/94/61/1149669461.db2.gz KXCMVEFWYQXWOV-GUYCJALGSA-N 0 3 320.408 2.236 20 30 DEEDHN C=CCOCC(=O)NC1(CNCC(=C)Cl)CCCCC1 ZINC001506498331 1062046733 /nfs/dbraw/zinc/04/67/33/1062046733.db2.gz AFYJOGYAYDFPSE-UHFFFAOYSA-N 0 3 300.830 2.350 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1nccs1 ZINC001368887630 1148747471 /nfs/dbraw/zinc/74/74/71/1148747471.db2.gz LXKYKKFBJGLPIV-ZJUUUORDSA-N 0 3 320.443 2.373 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(CC)C(=O)[C@H](CC)N(C)C)C1 ZINC001523943289 1069773230 /nfs/dbraw/zinc/77/32/30/1069773230.db2.gz NVGLIQUUQLOTPK-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1cc(F)ccc1C#N ZINC001458342261 1058057743 /nfs/dbraw/zinc/05/77/43/1058057743.db2.gz JCIWZFHDBRVRAZ-CYBMUJFWSA-N 0 3 303.381 2.387 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H]1CNCc1ncccc1C ZINC001499954588 1058399770 /nfs/dbraw/zinc/39/97/70/1058399770.db2.gz FKWBWQFGNQJQJK-MRXNPFEDSA-N 0 3 317.433 2.063 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001499985673 1058415846 /nfs/dbraw/zinc/41/58/46/1058415846.db2.gz LRGCGHXVVFPGPB-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C(=O)C[C@@](C)(O)C=C)C1CCN(CC=C(C)C)CC1 ZINC001500034743 1058445423 /nfs/dbraw/zinc/44/54/23/1058445423.db2.gz UGWYDHKFHHVUFR-IBGZPJMESA-N 0 3 318.461 2.206 20 30 DEEDHN C#CCN(C(=O)CCc1cccnc1)C1CCN(CC=C)CC1 ZINC001500041836 1058447239 /nfs/dbraw/zinc/44/72/39/1058447239.db2.gz FNOVLSDVRRKDNQ-UHFFFAOYSA-N 0 3 311.429 2.126 20 30 DEEDHN C#CCNC[C@@H](NC(=O)[C@H](C)C#N)c1ccc2ccccc2c1 ZINC001500060251 1058460388 /nfs/dbraw/zinc/46/03/88/1058460388.db2.gz NXWZLLWINRSWCV-RDTXWAMCSA-N 0 3 305.381 2.380 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)OCC(C)C)C2 ZINC001500156291 1058527250 /nfs/dbraw/zinc/52/72/50/1058527250.db2.gz MPMDHOQJJAPISO-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN CCCC(=O)N[C@]1(C)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001500167276 1058541721 /nfs/dbraw/zinc/54/17/21/1058541721.db2.gz DNTODROXTJFPFQ-GOSISDBHSA-N 0 3 315.417 2.470 20 30 DEEDHN C=CCOCC(=O)NCC1(C)CCN(Cc2cccnc2)CC1 ZINC001500416352 1058763318 /nfs/dbraw/zinc/76/33/18/1058763318.db2.gz OSYOTVKMVWGAFQ-UHFFFAOYSA-N 0 3 317.433 2.003 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC001500451286 1058797657 /nfs/dbraw/zinc/79/76/57/1058797657.db2.gz FVCZAMIFHMUGLP-IPMKNSEASA-N 0 3 322.452 2.424 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001500546483 1058911598 /nfs/dbraw/zinc/91/15/98/1058911598.db2.gz AZKRJRVNTVSFOG-APWZRJJASA-N 0 3 313.445 2.201 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001500769027 1059079357 /nfs/dbraw/zinc/07/93/57/1059079357.db2.gz GFMMMRHKPSKHMG-INIZCTEOSA-N 0 3 323.462 2.009 20 30 DEEDHN C=CCOCCN1CCC(N(Cc2ccccn2)C(C)=O)CC1 ZINC001501200068 1059368149 /nfs/dbraw/zinc/36/81/49/1059368149.db2.gz OCRREDFNUDNQKX-UHFFFAOYSA-N 0 3 317.433 2.097 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@H]1CCCN2C(=O)C#CC(C)(C)C ZINC001501386897 1059482506 /nfs/dbraw/zinc/48/25/06/1059482506.db2.gz POBALSIAUONZLH-IAGOWNOFSA-N 0 3 318.461 2.304 20 30 DEEDHN CN(C)[C@@H](CNC(=O)Nc1cccc(C#N)n1)c1ccccc1 ZINC001466940761 1059561059 /nfs/dbraw/zinc/56/10/59/1059561059.db2.gz CLIHDPNKFNRXSI-HNNXBMFYSA-N 0 3 309.373 2.378 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001467330764 1059611555 /nfs/dbraw/zinc/61/15/55/1059611555.db2.gz QIARZCNKPNCBPL-UHFFFAOYSA-N 0 3 322.840 2.483 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C)nn1C ZINC001501660800 1059615046 /nfs/dbraw/zinc/61/50/46/1059615046.db2.gz COMSTGZJDGPUIO-UHFFFAOYSA-N 0 3 312.417 2.276 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ocnc1C(F)(F)F ZINC001467728925 1059694591 /nfs/dbraw/zinc/69/45/91/1059694591.db2.gz VXKNANQNVFEXCX-UHFFFAOYSA-N 0 3 305.300 2.273 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001502125083 1059964816 /nfs/dbraw/zinc/96/48/16/1059964816.db2.gz ZPUNKVFEQGOOAP-PKOBYXMFSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)COC)C2 ZINC001502543005 1060170863 /nfs/dbraw/zinc/17/08/63/1060170863.db2.gz ATQPZAUMLQNKSZ-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN CCCCC(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001502537868 1060171088 /nfs/dbraw/zinc/17/10/88/1060171088.db2.gz CBWHYLKPNMLOJE-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2ccccn2)C(C)(C)C1 ZINC001502830902 1060332351 /nfs/dbraw/zinc/33/23/51/1060332351.db2.gz QMGLOGBVSRJWLC-KRWDZBQOSA-N 0 3 313.445 2.254 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCCCCNC(C)=O)C(C)(C)C1 ZINC001502835764 1060347720 /nfs/dbraw/zinc/34/77/20/1060347720.db2.gz ASMSIHSUDQMDML-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001505402386 1060533339 /nfs/dbraw/zinc/53/33/39/1060533339.db2.gz ITMVABDEZVBPFK-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001505429670 1060580565 /nfs/dbraw/zinc/58/05/65/1060580565.db2.gz SDYFJXOAESFERY-PKOBYXMFSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCCC(=O)NC1CC(CNCC(=C)Br)C1 ZINC001505486435 1060653098 /nfs/dbraw/zinc/65/30/98/1060653098.db2.gz UVUGNXNQIRMZRP-UHFFFAOYSA-N 0 3 301.228 2.346 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3c2OCC3)C1 ZINC001505520412 1060676216 /nfs/dbraw/zinc/67/62/16/1060676216.db2.gz UQDPOJMPRBCTEM-UHFFFAOYSA-N 0 3 320.820 2.472 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001369177203 1148862170 /nfs/dbraw/zinc/86/21/70/1148862170.db2.gz NUEZJXRYIKCOTI-HOMQSWHASA-N 0 3 318.755 2.129 20 30 DEEDHN C[C@@H](NC(=O)Cc1ccc[nH]1)[C@H](C)NCc1ccc(C#N)s1 ZINC001505761383 1060941145 /nfs/dbraw/zinc/94/11/45/1060941145.db2.gz SHNPPOLUWNRHET-NWDGAFQWSA-N 0 3 316.430 2.173 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001479236522 1061312285 /nfs/dbraw/zinc/31/22/85/1061312285.db2.gz XSVGYCFIJDPCNA-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1OCC ZINC001479525114 1061491911 /nfs/dbraw/zinc/49/19/11/1061491911.db2.gz LYTNSDZFNZXIFQ-HUUCEWRRSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC001479659466 1061573002 /nfs/dbraw/zinc/57/30/02/1061573002.db2.gz KUKWUWUJTUNIAF-CYBMUJFWSA-N 0 3 324.371 2.050 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cc(Cl)cs1 ZINC001479799709 1061796222 /nfs/dbraw/zinc/79/62/22/1061796222.db2.gz AOZYJDDGAVHQLJ-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN CC#CCN(CCCNC(=O)c1nn(C)c2ccccc21)C1CC1 ZINC001479879759 1061978515 /nfs/dbraw/zinc/97/85/15/1061978515.db2.gz LQUNYWIDKBCKPU-UHFFFAOYSA-N 0 3 324.428 2.181 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2oc(C)nc2C)CC1 ZINC001479885841 1061992880 /nfs/dbraw/zinc/99/28/80/1061992880.db2.gz WZELYVDQMGEDIX-UHFFFAOYSA-N 0 3 321.421 2.030 20 30 DEEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001479906446 1062031394 /nfs/dbraw/zinc/03/13/94/1062031394.db2.gz CUGDIMHZPNESTR-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001479920140 1062051217 /nfs/dbraw/zinc/05/12/17/1062051217.db2.gz UBIFXZINAHMYMQ-SFHVURJKSA-N 0 3 319.493 2.433 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@H]2CCCC23CC3)CC1 ZINC001479921556 1062057097 /nfs/dbraw/zinc/05/70/97/1062057097.db2.gz XLLKGICHDRSREA-QGZVFWFLSA-N 0 3 319.493 2.267 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)CSCC#N)C2)c(C)c1 ZINC001479945126 1062077387 /nfs/dbraw/zinc/07/73/87/1062077387.db2.gz MSEJZPVQTIFXRJ-MRXNPFEDSA-N 0 3 317.458 2.251 20 30 DEEDHN C=CCn1cc(C(=O)N[C@H]2CCN(CC/C=C/CCC)C2)nn1 ZINC001479965778 1062121875 /nfs/dbraw/zinc/12/18/75/1062121875.db2.gz NYLUWUCSLGNPEO-LFAOLKIESA-N 0 3 317.437 2.015 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001479985831 1062146227 /nfs/dbraw/zinc/14/62/27/1062146227.db2.gz XEUFMPWKGYESHV-VXGBXAGGSA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001479988939 1062152430 /nfs/dbraw/zinc/15/24/30/1062152430.db2.gz WLLDLJFFEGULHU-HJHHMULASA-N 0 3 312.841 2.302 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC001479989099 1062153058 /nfs/dbraw/zinc/15/30/58/1062153058.db2.gz XSUQTKRXGFBAMP-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2c(C)ncn2C)CC1 ZINC001479993561 1062157279 /nfs/dbraw/zinc/15/72/79/1062157279.db2.gz SILVHDMQDGPBLM-UHFFFAOYSA-N 0 3 304.438 2.231 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC001506630360 1062211492 /nfs/dbraw/zinc/21/14/92/1062211492.db2.gz MODNEVGIXDWAKI-GOEBONIOSA-N 0 3 306.450 2.206 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)CCCF)C2CC2)s1 ZINC001480040027 1062221808 /nfs/dbraw/zinc/22/18/08/1062221808.db2.gz JXMSRLIEKLZNGA-CQSZACIVSA-N 0 3 309.410 2.354 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001506890479 1062476912 /nfs/dbraw/zinc/47/69/12/1062476912.db2.gz LVCXDPIWCVZVTN-YYFQZIEXSA-N 0 3 312.841 2.038 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cn(C)nc1CC ZINC001506926442 1062535452 /nfs/dbraw/zinc/53/54/52/1062535452.db2.gz HLTJAXXWLGQISI-GFCCVEGCSA-N 0 3 312.845 2.223 20 30 DEEDHN CC(C)[C@@H](CCNC(=O)C#CC(C)(C)C)NCc1ccon1 ZINC001506984992 1062634107 /nfs/dbraw/zinc/63/41/07/1062634107.db2.gz HXQBERMNSWGLCI-OAHLLOKOSA-N 0 3 305.422 2.345 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)COc1ccsc1 ZINC001480334040 1062667014 /nfs/dbraw/zinc/66/70/14/1062667014.db2.gz ZVQQGLMZZDTSDX-CQSZACIVSA-N 0 3 306.431 2.121 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](C)OCCC(C)C ZINC001480334396 1062671889 /nfs/dbraw/zinc/67/18/89/1062671889.db2.gz DORWZBPGAGFNFV-SJORKVTESA-N 0 3 308.466 2.432 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)NCCC ZINC001480357761 1062707326 /nfs/dbraw/zinc/70/73/26/1062707326.db2.gz YIVSAGCSKDQILI-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)NCC(=O)NC1CCC(C)CC1 ZINC001507054641 1062745875 /nfs/dbraw/zinc/74/58/75/1062745875.db2.gz BYLDSYYDCQSLES-PCKAHOCUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2ccc(F)cc2)C1 ZINC001480386641 1062769712 /nfs/dbraw/zinc/76/97/12/1062769712.db2.gz KQXWNVLZYOZFIJ-ZBFHGGJFSA-N 0 3 302.393 2.218 20 30 DEEDHN C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NCc1ccc(C#N)s1 ZINC001480505926 1062959867 /nfs/dbraw/zinc/95/98/67/1062959867.db2.gz OAUFKUHFTNFVPO-HWWQOWPSSA-N 0 3 303.431 2.404 20 30 DEEDHN CCc1cc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)no1 ZINC001480573572 1063057066 /nfs/dbraw/zinc/05/70/66/1063057066.db2.gz MXGQQBVXBFXWKO-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@H](CCNC(=O)COC(C)(C)C)NCc1ccccc1C#N ZINC001480758025 1063306514 /nfs/dbraw/zinc/30/65/14/1063306514.db2.gz XGYYHNLVUTUUPJ-CQSZACIVSA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](O)CN(C)Cc1ccc(C)c(F)c1 ZINC001507598032 1063356335 /nfs/dbraw/zinc/35/63/35/1063356335.db2.gz CQMOUUMLJCHQCL-INIZCTEOSA-N 0 3 322.424 2.351 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(CC(C)C)cc1 ZINC001507725045 1063396950 /nfs/dbraw/zinc/39/69/50/1063396950.db2.gz CLLAVUJEFLHILI-GOSISDBHSA-N 0 3 318.461 2.436 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCC[C@@H]1CCCN1CC(=C)Cl ZINC001480825111 1063406269 /nfs/dbraw/zinc/40/62/69/1063406269.db2.gz YFASRFAEPJPDKF-HUUCEWRRSA-N 0 3 312.841 2.138 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COC/C=C/c1ccccc1 ZINC001493111335 1063579713 /nfs/dbraw/zinc/57/97/13/1063579713.db2.gz NIUWNRFRLCNHJS-HKMNZKMDSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2c[nH]c3cnccc23)CC1 ZINC001508214321 1063612265 /nfs/dbraw/zinc/61/22/65/1063612265.db2.gz YBOUGAKHPKKODV-UHFFFAOYSA-N 0 3 310.401 2.040 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1ccc(F)cc1Cl ZINC001493314337 1063712791 /nfs/dbraw/zinc/71/27/91/1063712791.db2.gz PORQHYWZDDDWJZ-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN COc1cccc([C@@H](C)N(CCNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001493356725 1063742704 /nfs/dbraw/zinc/74/27/04/1063742704.db2.gz LDMMWIJPGNACOQ-ZIAGYGMSSA-N 0 3 315.417 2.496 20 30 DEEDHN C=CCN(CCNC(=O)c1ccnn1C1CCCC1)C1CC1 ZINC001493373625 1063754125 /nfs/dbraw/zinc/75/41/25/1063754125.db2.gz HVGZGOLHPUFYKK-UHFFFAOYSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1csc(COC)n1)C1CC1 ZINC001493451139 1063803708 /nfs/dbraw/zinc/80/37/08/1063803708.db2.gz OPRFQYTZMNPAKW-UHFFFAOYSA-N 0 3 309.435 2.060 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001509051845 1063941664 /nfs/dbraw/zinc/94/16/64/1063941664.db2.gz RECCYDZFFLNNBW-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cc(OC)ccn1)c1ccccc1 ZINC001493894297 1064014572 /nfs/dbraw/zinc/01/45/72/1064014572.db2.gz ZLSPKSDDLSCIIC-SFHVURJKSA-N 0 3 323.396 2.174 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cn1cc(Cl)cn1)c1ccccc1 ZINC001493896786 1064015793 /nfs/dbraw/zinc/01/57/93/1064015793.db2.gz BUZQMAVGTDMRAG-OAHLLOKOSA-N 0 3 318.808 2.170 20 30 DEEDHN CC#CCN1CC[C@@H](N(CCC)C(=O)CN(C)CC(C)(C)C)C1 ZINC001493966175 1064047930 /nfs/dbraw/zinc/04/79/30/1064047930.db2.gz BHTJEQYBCKNBBJ-QGZVFWFLSA-N 0 3 321.509 2.301 20 30 DEEDHN Cc1nc(C)c(CN(C)C[C@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC001494134371 1064134242 /nfs/dbraw/zinc/13/42/42/1064134242.db2.gz YQONXVJGAHBYTP-MRXNPFEDSA-N 0 3 317.433 2.231 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001567292654 1064138457 /nfs/dbraw/zinc/13/84/57/1064138457.db2.gz QVDINRKGFJGIMQ-UHFFFAOYSA-N 0 3 300.402 2.042 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001567405632 1064184644 /nfs/dbraw/zinc/18/46/44/1064184644.db2.gz QODSRQMZFPJXPI-CZUORRHYSA-N 0 3 317.433 2.246 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001567416442 1064190032 /nfs/dbraw/zinc/19/00/32/1064190032.db2.gz ZTZAOCZCFZPZRB-IAGOWNOFSA-N 0 3 308.466 2.147 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2sc(C)cc2C)C1 ZINC001567418423 1064191436 /nfs/dbraw/zinc/19/14/36/1064191436.db2.gz SLNRQVJMXOOFGI-OAHLLOKOSA-N 0 3 304.459 2.369 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)Oc1ccccc1F ZINC001567425173 1064195151 /nfs/dbraw/zinc/19/51/51/1064195151.db2.gz JNSJKDIZYDGFPS-OAHLLOKOSA-N 0 3 320.408 2.445 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cncc(OC)c1C)C1CC1 ZINC001567444409 1064201280 /nfs/dbraw/zinc/20/12/80/1064201280.db2.gz IOQBLLDVYKMKIW-UHFFFAOYSA-N 0 3 303.406 2.169 20 30 DEEDHN C#CCN(CC)c1nnc(C2CCC2)n1CCN1CC=CCC1 ZINC001539365891 1072375126 /nfs/dbraw/zinc/37/51/26/1072375126.db2.gz REXIHHPHNXZUOZ-UHFFFAOYSA-N 0 3 313.449 2.267 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN[C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001567558454 1064253612 /nfs/dbraw/zinc/25/36/12/1064253612.db2.gz NBMWJIGOJFXZRQ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1ncccc1CC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001567560601 1064255250 /nfs/dbraw/zinc/25/52/50/1064255250.db2.gz KTFRZZBOEYZHED-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN COc1cccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)c1 ZINC001567594575 1064269634 /nfs/dbraw/zinc/26/96/34/1064269634.db2.gz AXXRZQDXEGMKMT-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN C#CCCN[C@H](CNC(=O)CC[C@H]1CCCO1)c1ccccc1 ZINC001567656108 1064319641 /nfs/dbraw/zinc/31/96/41/1064319641.db2.gz IJEUSVILRRXYES-QZTJIDSGSA-N 0 3 314.429 2.416 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnc(C)nc1C)c1ccccc1 ZINC001567664348 1064327873 /nfs/dbraw/zinc/32/78/73/1064327873.db2.gz PWZYNEYTYOYRDM-KRWDZBQOSA-N 0 3 310.401 2.340 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccnc2OC)C1 ZINC001567689385 1064346704 /nfs/dbraw/zinc/34/67/04/1064346704.db2.gz VUWCDRATYDKYND-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=C[C@H](C(=O)N[C@H]1CCN(CCOCC)C1)c1ccccc1 ZINC001494739307 1064445188 /nfs/dbraw/zinc/44/51/88/1064445188.db2.gz SYSWVIKREJGSRA-IRXDYDNUSA-N 0 3 302.418 2.183 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001494761665 1064455049 /nfs/dbraw/zinc/45/50/49/1064455049.db2.gz XCPNUHWJMTUNQA-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC[C@H](C(=O)NCC1CN(C[C@H](C)OC)C1)c1ccccc1 ZINC001567849334 1064456972 /nfs/dbraw/zinc/45/69/72/1064456972.db2.gz XCCNSGZIBMXSBI-YJBOKZPZSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c(=O)c1 ZINC001567853830 1064462325 /nfs/dbraw/zinc/46/23/25/1064462325.db2.gz LCSWJOJREFDKRY-HOTGVXAUSA-N 0 3 315.417 2.432 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001567913365 1064509361 /nfs/dbraw/zinc/50/93/61/1064509361.db2.gz AAJVZGLSKVUIHA-SWLSCSKDSA-N 0 3 304.438 2.239 20 30 DEEDHN CC#CCN1CC[C@@H](N(C)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001567925224 1064526184 /nfs/dbraw/zinc/52/61/84/1064526184.db2.gz ZHTNHKQREKLCOX-MRXNPFEDSA-N 0 3 316.449 2.312 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCOCc2ccccc2)C1 ZINC001567929179 1064530002 /nfs/dbraw/zinc/53/00/02/1064530002.db2.gz YCHCYOJEHFRWJK-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](OC)C2CCCCC2)C1 ZINC001567930879 1064536474 /nfs/dbraw/zinc/53/64/74/1064536474.db2.gz RWLNYDCUDVNHFN-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN CC[C@H](CNC(=O)C1CCOCC1)NCc1ccc(C#N)s1 ZINC001494932328 1064589200 /nfs/dbraw/zinc/58/92/00/1064589200.db2.gz ZDQVQBQBHVCFPL-CYBMUJFWSA-N 0 3 321.446 2.031 20 30 DEEDHN CC[C@H](CNC(=O)c1conc1C)NCC#Cc1ccccc1 ZINC001495049255 1064665654 /nfs/dbraw/zinc/66/56/54/1064665654.db2.gz IRMANOIEDCGBAM-MRXNPFEDSA-N 0 3 311.385 2.133 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)CCCc1ccccc1 ZINC001568297022 1064761710 /nfs/dbraw/zinc/76/17/10/1064761710.db2.gz NPRZAQZMRYFJFO-KRWDZBQOSA-N 0 3 316.445 2.096 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1cccc(C)c1Cl ZINC001568306343 1064766820 /nfs/dbraw/zinc/76/68/20/1064766820.db2.gz HRHILXURTHNSOY-AWEZNQCLSA-N 0 3 322.836 2.348 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cnns2)[C@H](C)C1 ZINC001568365799 1064810017 /nfs/dbraw/zinc/81/00/17/1064810017.db2.gz OWCWKCZJXSICKA-OCCSQVGLSA-N 0 3 322.478 2.467 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cnns2)[C@@H](C)C1 ZINC001568365798 1064810105 /nfs/dbraw/zinc/81/01/05/1064810105.db2.gz OWCWKCZJXSICKA-JSGCOSHPSA-N 0 3 322.478 2.467 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C)CC[C@@H]2C)c1 ZINC001615643852 1078127803 /nfs/dbraw/zinc/12/78/03/1078127803.db2.gz JOJMZDAOFVSDDP-KGLIPLIRSA-N 0 3 313.401 2.436 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)COCCC)C1 ZINC001495346081 1064846581 /nfs/dbraw/zinc/84/65/81/1064846581.db2.gz YTHRCKDWSCSWEJ-CQSZACIVSA-N 0 3 302.846 2.384 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2cnc(C)cn2)CC1 ZINC001495445681 1064911254 /nfs/dbraw/zinc/91/12/54/1064911254.db2.gz CWQNKLLDRISESN-SHTZXODSSA-N 0 3 302.422 2.268 20 30 DEEDHN COCC#CCN1CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@H]21 ZINC001568508339 1064923332 /nfs/dbraw/zinc/92/33/32/1064923332.db2.gz KQPWTAXFAYUROP-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001495464238 1064924039 /nfs/dbraw/zinc/92/40/39/1064924039.db2.gz GYYDOLCZYKNLQS-HDJSIYSDSA-N 0 3 318.421 2.087 20 30 DEEDHN Cc1ncccc1CNCc1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001495485628 1064938522 /nfs/dbraw/zinc/93/85/22/1064938522.db2.gz QVNKUFWBCBOXQA-AWEZNQCLSA-N 0 3 322.412 2.456 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1cn(CC)nn1 ZINC001568528395 1064938481 /nfs/dbraw/zinc/93/84/81/1064938481.db2.gz MALOBRKHXVUYLB-HOCLYGCPSA-N 0 3 319.453 2.029 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)ccnc1OCC ZINC001568554281 1064961493 /nfs/dbraw/zinc/96/14/93/1064961493.db2.gz MMNNUEFEQWOCGP-UHFFFAOYSA-N 0 3 305.422 2.369 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC001568554691 1064961863 /nfs/dbraw/zinc/96/18/63/1064961863.db2.gz UTJBKKBVYBKWNA-VQHVLOKHSA-N 0 3 316.401 2.395 20 30 DEEDHN C/C=C(/C)C(=O)N(CC)CCNCc1ccc(OC)c(C#N)c1 ZINC001568734377 1065088084 /nfs/dbraw/zinc/08/80/84/1065088084.db2.gz JGCWZSXFNWNXJK-RZNTYIFUSA-N 0 3 315.417 2.471 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)c1oncc1C ZINC001568789535 1065119138 /nfs/dbraw/zinc/11/91/38/1065119138.db2.gz ZRRVFCPGOBDKHN-UHFFFAOYSA-N 0 3 318.402 2.168 20 30 DEEDHN CS[C@H](C)CC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001568838355 1065148185 /nfs/dbraw/zinc/14/81/85/1065148185.db2.gz JNUIDCOSJKEWJT-RDFMZFSFSA-N 0 3 317.458 2.462 20 30 DEEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)c1cnco1 ZINC001495936486 1065182620 /nfs/dbraw/zinc/18/26/20/1065182620.db2.gz TZFGKLDAAGFEQQ-UHFFFAOYSA-N 0 3 323.396 2.359 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCC(F)(F)F)CC2 ZINC001495968648 1065199906 /nfs/dbraw/zinc/19/99/06/1065199906.db2.gz DUFMUYYWGNNAOO-UHFFFAOYSA-N 0 3 302.340 2.277 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN[C@H]1CCCN(CC(C)(C)C)C1=O ZINC001568984240 1065226375 /nfs/dbraw/zinc/22/63/75/1065226375.db2.gz GPJGVBSCEJZVEL-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1cc(C)c(C(=O)N[C@H](C)CNCC#Cc2ccccc2)[nH]1 ZINC001569002627 1065237140 /nfs/dbraw/zinc/23/71/40/1065237140.db2.gz RYJGAVCQHCGQSX-MRXNPFEDSA-N 0 3 309.413 2.391 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C(F)F ZINC001569041857 1065253931 /nfs/dbraw/zinc/25/39/31/1065253931.db2.gz HRQZQXWQDBMXKN-JTQLQIEISA-N 0 3 300.736 2.051 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC1CCCCC1 ZINC001569059701 1065263032 /nfs/dbraw/zinc/26/30/32/1065263032.db2.gz DSTPVLFZIWCUBR-LSDHHAIUSA-N 0 3 323.481 2.274 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCC(=O)N(C)CC)CCCCC1 ZINC001569098591 1065281641 /nfs/dbraw/zinc/28/16/41/1065281641.db2.gz XDJJNVGTBVVJFI-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN COc1cccc(CN(C)C[C@@H](C)NC(=O)C#CC2CC2)c1 ZINC001569115685 1065295825 /nfs/dbraw/zinc/29/58/25/1065295825.db2.gz OIBKNYDSCCMRKR-CQSZACIVSA-N 0 3 300.402 2.045 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cccc(C)c1F ZINC001569118771 1065299804 /nfs/dbraw/zinc/29/98/04/1065299804.db2.gz WEHDYWSXHVSVTA-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)CN(C)CCn1nc(C)cc1C ZINC001569133897 1065310012 /nfs/dbraw/zinc/31/00/12/1065310012.db2.gz XIPNYJFQMOBOCF-MRXNPFEDSA-N 0 3 318.465 2.130 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001569158553 1065326129 /nfs/dbraw/zinc/32/61/29/1065326129.db2.gz DEHFNLZQHKMURU-ZBFHGGJFSA-N 0 3 317.458 2.321 20 30 DEEDHN CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC001569182803 1065348353 /nfs/dbraw/zinc/34/83/53/1065348353.db2.gz OMUUGHHEOWVOGF-UHFFFAOYSA-N 0 3 322.408 2.496 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)c1ccsn1 ZINC001569214011 1065370441 /nfs/dbraw/zinc/37/04/41/1065370441.db2.gz UAJLUVZRBUJJBS-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001569357672 1065454286 /nfs/dbraw/zinc/45/42/86/1065454286.db2.gz QASKENGVRNTCOR-INIZCTEOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]([C@@H](C)NCc2cscn2)C1 ZINC001496436510 1065470386 /nfs/dbraw/zinc/47/03/86/1065470386.db2.gz YZCNFNGDWKMHRN-KGLIPLIRSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCn1cc(C(=O)NC[C@H]2CCN2CCCC(C)(C)C)nn1 ZINC001569377694 1065473208 /nfs/dbraw/zinc/47/32/08/1065473208.db2.gz ZRSPLHSEQFYEDA-CQSZACIVSA-N 0 3 319.453 2.095 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1ccccc1OC ZINC001569384759 1065482467 /nfs/dbraw/zinc/48/24/67/1065482467.db2.gz RJMIFNBUBMUXCE-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1cnc(Cl)s1 ZINC001496533538 1065540897 /nfs/dbraw/zinc/54/08/97/1065540897.db2.gz HFUVZWXQXPLKBB-ONGXEEELSA-N 0 3 314.842 2.187 20 30 DEEDHN C=CCCC(=O)NC1(C)CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC001569569726 1065600390 /nfs/dbraw/zinc/60/03/90/1065600390.db2.gz VONNLLWZYMZDSA-GFCCVEGCSA-N 0 3 322.371 2.237 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCn2cc(Cl)cn2)CC1 ZINC001569578019 1065605412 /nfs/dbraw/zinc/60/54/12/1065605412.db2.gz BYMRSQUYKGXZJL-UHFFFAOYSA-N 0 3 310.829 2.083 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001569635928 1065637206 /nfs/dbraw/zinc/63/72/06/1065637206.db2.gz RYONRHZDMYLUKI-OALUTQOASA-N 0 3 316.445 2.403 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001569644073 1065645171 /nfs/dbraw/zinc/64/51/71/1065645171.db2.gz HRAHDWMFDFPDCT-KRWDZBQOSA-N 0 3 304.438 2.163 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@](C)(CNCc2cnns2)C1 ZINC001569666390 1065658803 /nfs/dbraw/zinc/65/88/03/1065658803.db2.gz SZVQVFBVPKOKSE-INIZCTEOSA-N 0 3 320.462 2.060 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(CCOC)CCC2)C1 ZINC001569724413 1065692487 /nfs/dbraw/zinc/69/24/87/1065692487.db2.gz WEZKQLQQWYFVGW-SFHVURJKSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCCCC(=O)NC[C@]1(O)CCN(Cc2csc(C)c2)C1 ZINC001569756880 1065707822 /nfs/dbraw/zinc/70/78/22/1065707822.db2.gz YZAGTKMNAOKJAJ-QGZVFWFLSA-N 0 3 322.474 2.466 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2CC#CCOC)C1 ZINC001496861923 1065761648 /nfs/dbraw/zinc/76/16/48/1065761648.db2.gz VEAFQYSHKNLJLZ-IAGOWNOFSA-N 0 3 318.461 2.161 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1ccn(C)n1 ZINC001496897344 1065786937 /nfs/dbraw/zinc/78/69/37/1065786937.db2.gz DTMHXOLCZQIOMJ-ZFWWWQNUSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(C)CN1CCC[C@](CO)(NC(=O)C=C2CCCCC2)C1 ZINC001569889973 1065794708 /nfs/dbraw/zinc/79/47/08/1065794708.db2.gz IHPPYLCQUKHECR-SFHVURJKSA-N 0 3 306.450 2.396 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CSCc1cscn1 ZINC001626751254 1078261772 /nfs/dbraw/zinc/26/17/72/1078261772.db2.gz ZTZXSKYNUBPDQU-UHFFFAOYSA-N 0 3 313.492 2.343 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc(C#N)c[nH]2)cc1 ZINC001570030645 1065895386 /nfs/dbraw/zinc/89/53/86/1065895386.db2.gz YDQABISSJHJOKQ-CYBMUJFWSA-N 0 3 306.369 2.100 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001570085607 1065917728 /nfs/dbraw/zinc/91/77/28/1065917728.db2.gz SPJDOAADGNAYOX-MRXNPFEDSA-N 0 3 304.438 2.247 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](CC)Oc2ccccc2F)CCC1 ZINC001570123630 1065933133 /nfs/dbraw/zinc/93/31/33/1065933133.db2.gz WXXGGDFPMSNOSP-OAHLLOKOSA-N 0 3 318.392 2.245 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@H](CNCc2ncccc2C)C1 ZINC001570150976 1065941992 /nfs/dbraw/zinc/94/19/92/1065941992.db2.gz CFNAQPKPXDLQIM-MRXNPFEDSA-N 0 3 317.433 2.063 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)COc2ccccc2)CC1 ZINC001570188110 1065964009 /nfs/dbraw/zinc/96/40/09/1065964009.db2.gz UPSWEGBOLVGTDH-INIZCTEOSA-N 0 3 300.402 2.059 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)CCCN(C)CC#C)cc1 ZINC001570196199 1065967852 /nfs/dbraw/zinc/96/78/52/1065967852.db2.gz CHWIILQGIKEXQD-UHFFFAOYSA-N 0 3 312.413 2.116 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CCc1nc(C)cs1 ZINC001570202762 1065972594 /nfs/dbraw/zinc/97/25/94/1065972594.db2.gz IDLZOKQXQADNSQ-UHFFFAOYSA-N 0 3 307.463 2.188 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1cccc(F)c1F ZINC001570212281 1065974561 /nfs/dbraw/zinc/97/45/61/1065974561.db2.gz ZRYRWPHUKJTGMK-UHFFFAOYSA-N 0 3 308.372 2.311 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001570218506 1065977531 /nfs/dbraw/zinc/97/75/31/1065977531.db2.gz VOXPQGIHSQVMQZ-KRWDZBQOSA-N 0 3 320.408 2.317 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CCCN(C(=O)CCCC(C)=O)C2 ZINC001570271667 1065997664 /nfs/dbraw/zinc/99/76/64/1065997664.db2.gz MADIKBLKYPAHAN-GOSISDBHSA-N 0 3 304.434 2.084 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCCCOC)C2 ZINC001570272272 1066000870 /nfs/dbraw/zinc/00/08/70/1066000870.db2.gz YQCJSRSDHPYVAB-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NCc2cc(OC)ns2)[C@@H](C)C1 ZINC001570352284 1066027858 /nfs/dbraw/zinc/02/78/58/1066027858.db2.gz UIZMPEIAAYZNAR-JSGCOSHPSA-N 0 3 323.462 2.445 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)c3cccs3)CC2)C1 ZINC001570400112 1066052658 /nfs/dbraw/zinc/05/26/58/1066052658.db2.gz RBDVMAVNNXEKKX-UHFFFAOYSA-N 0 3 319.474 2.156 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCCC(=O)NCCC)C(C)(C)C1 ZINC001570399771 1066052953 /nfs/dbraw/zinc/05/29/53/1066052953.db2.gz KJOFDHQDDNUQNG-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCOC ZINC001570520950 1066102942 /nfs/dbraw/zinc/10/29/42/1066102942.db2.gz WMHCMKMQMIHZJB-IEBWSBKVSA-N 0 3 314.429 2.198 20 30 DEEDHN CC#CCNCCN(CC)C(=O)COc1c(C)cccc1C ZINC001497497755 1066116210 /nfs/dbraw/zinc/11/62/10/1066116210.db2.gz MAVXNKLLKOAWBU-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN CC[C@@H](SC)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001497565713 1066142022 /nfs/dbraw/zinc/14/20/22/1066142022.db2.gz TVZSVZISJGTBKS-YIEVGGLXSA-N 0 3 317.458 2.462 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001497601015 1066185497 /nfs/dbraw/zinc/18/54/97/1066185497.db2.gz OGNKBJBBTUCDOY-BQYQJAHWSA-N 0 3 317.433 2.190 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)CC1(C)CCCCC1 ZINC001497633367 1066200199 /nfs/dbraw/zinc/20/01/99/1066200199.db2.gz TUOOFQQAFBTGEO-VOTSOKGWSA-N 0 3 306.450 2.259 20 30 DEEDHN Cc1ccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)n1C ZINC001497788708 1066313341 /nfs/dbraw/zinc/31/33/41/1066313341.db2.gz NFLVONBSQKMNIO-OAHLLOKOSA-N 0 3 309.413 2.093 20 30 DEEDHN C[C@@H](NC[C@H](C)NC(=O)CSCC#N)c1ccccc1F ZINC001498016116 1066459411 /nfs/dbraw/zinc/45/94/11/1066459411.db2.gz RIHRIUCMWCUHIW-NWDGAFQWSA-N 0 3 309.410 2.238 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCCCO1 ZINC001498260301 1066601722 /nfs/dbraw/zinc/60/17/22/1066601722.db2.gz YPNKLQAXLWKKHF-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCc1cnn(C)c1 ZINC001498358384 1066653003 /nfs/dbraw/zinc/65/30/03/1066653003.db2.gz ZLNTZHFPJVIKQQ-AWEZNQCLSA-N 0 3 306.454 2.001 20 30 DEEDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC001576879156 1066708578 /nfs/dbraw/zinc/70/85/78/1066708578.db2.gz LVUCVNBJQQYZNA-FRRDWIJNSA-N 0 3 303.431 2.248 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCC[C@H]1CNCc1nccn1C ZINC001498476793 1066733162 /nfs/dbraw/zinc/73/31/62/1066733162.db2.gz ZPOQYAJTHLMOGS-GJZGRUSLSA-N 0 3 304.438 2.151 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001577426567 1066839364 /nfs/dbraw/zinc/83/93/64/1066839364.db2.gz RSGYKEMVDHHKFP-IAGOWNOFSA-N 0 3 320.481 2.263 20 30 DEEDHN Cc1nsc(C)c1CNC[C@H](NC(=O)C#CC(C)C)C1CC1 ZINC001498757925 1066869920 /nfs/dbraw/zinc/86/99/20/1066869920.db2.gz FDIZLJRBHIGLHZ-INIZCTEOSA-N 0 3 319.474 2.404 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1CCCC1CCCC1 ZINC001498969929 1066990432 /nfs/dbraw/zinc/99/04/32/1066990432.db2.gz ZGHIVNAZEQGZFD-SJLPKXTDSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001498987158 1067003207 /nfs/dbraw/zinc/00/32/07/1067003207.db2.gz UKFFUMRESJWVBW-UKRRQHHQSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001498990909 1067004064 /nfs/dbraw/zinc/00/40/64/1067004064.db2.gz IVCBJPXQCZJVLV-LLVKDONJSA-N 0 3 310.829 2.396 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ccc(OC)c(O)c1 ZINC001635757662 1078457911 /nfs/dbraw/zinc/45/79/11/1078457911.db2.gz HFTPRCVJQXLONL-CSKARUKUSA-N 0 3 318.417 2.380 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Oc1ccc(C=O)cc1 ZINC001635757653 1078457916 /nfs/dbraw/zinc/45/79/16/1078457916.db2.gz GMLTVMXVRVQAHJ-OAHLLOKOSA-N 0 3 318.417 2.233 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001499142184 1067116376 /nfs/dbraw/zinc/11/63/76/1067116376.db2.gz YFWPAEGWKDEITE-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2c(F)cccc2F)CC1 ZINC001499290160 1067171861 /nfs/dbraw/zinc/17/18/61/1067171861.db2.gz RRSINFUFYBBXSS-LBPRGKRZSA-N 0 3 306.356 2.330 20 30 DEEDHN C#CCNC1(CNC(=O)c2c(C)occ2C(F)(F)F)CC1 ZINC001499294511 1067173611 /nfs/dbraw/zinc/17/36/11/1067173611.db2.gz QRLQSQKFOYYKNQ-UHFFFAOYSA-N 0 3 300.280 2.092 20 30 DEEDHN COc1c2ccccc2oc1CNC(=O)[C@H](N)CCCCC#N ZINC001579134699 1067238028 /nfs/dbraw/zinc/23/80/28/1067238028.db2.gz NXWSJIJORJDGTH-CYBMUJFWSA-N 0 3 315.373 2.469 20 30 DEEDHN C=C[C@H](O)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001636977511 1078496795 /nfs/dbraw/zinc/49/67/95/1078496795.db2.gz WYQATMHFSUYJRD-IRXDYDNUSA-N 0 3 302.418 2.046 20 30 DEEDHN C=CCOCC(=O)N1CCC2(C1)CCN(C[C@@H](F)CC)CC2 ZINC001499584087 1067268228 /nfs/dbraw/zinc/26/82/28/1067268228.db2.gz SXAGKEFBEMKYIZ-HNNXBMFYSA-N 0 3 312.429 2.252 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)COc2ccc(C(C)C)cc2)C1 ZINC001267013352 1078500589 /nfs/dbraw/zinc/50/05/89/1078500589.db2.gz HNAPXJPKANIGBL-KRWDZBQOSA-N 0 3 314.429 2.403 20 30 DEEDHN Cc1nc(NC(=O)[C@H](N)CCCC#N)sc1SCC#N ZINC001579864499 1067441115 /nfs/dbraw/zinc/44/11/15/1067441115.db2.gz VVGXLLJGTATVBG-SECBINFHSA-N 0 3 309.420 2.027 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CCCC[C@@H]1NC(=O)C#CC(C)C ZINC001483434196 1078530161 /nfs/dbraw/zinc/53/01/61/1078530161.db2.gz KHRDUUHIBBCVHO-CVEARBPZSA-N 0 3 317.433 2.407 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001580051056 1067482823 /nfs/dbraw/zinc/48/28/23/1067482823.db2.gz YGPKMACPXXGGSZ-NWANDNLSSA-N 0 3 307.344 2.348 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2c(c1)OCCO2 ZINC001483509882 1078576465 /nfs/dbraw/zinc/57/64/65/1078576465.db2.gz SKSDBJCHODKWOH-UHFFFAOYSA-N 0 3 324.808 2.262 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC001267116339 1078593804 /nfs/dbraw/zinc/59/38/04/1078593804.db2.gz FWKGOVKHIFSNQE-NVXWUHKLSA-N 0 3 312.413 2.109 20 30 DEEDHN CN(C)CCONC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001639133184 1078596120 /nfs/dbraw/zinc/59/61/20/1078596120.db2.gz PRQCFBXPTLBCBH-UHFFFAOYSA-N 0 3 308.381 2.309 20 30 DEEDHN CCCCOCCN(C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001570530817 1067987927 /nfs/dbraw/zinc/98/79/27/1067987927.db2.gz RRZNVJCHAXTTLR-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)COc1ccc(C)cc1 ZINC001570545025 1067997194 /nfs/dbraw/zinc/99/71/94/1067997194.db2.gz JTBOYYRJDBETJO-INIZCTEOSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1csc(COC)n1 ZINC001570549336 1068000358 /nfs/dbraw/zinc/00/03/58/1068000358.db2.gz WYQYLKXCVCBNBZ-LBPRGKRZSA-N 0 3 309.435 2.012 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)Nc1ccccc1 ZINC001570606760 1068033095 /nfs/dbraw/zinc/03/30/95/1068033095.db2.gz BVHRAEJUYNTBHG-LSDHHAIUSA-N 0 3 317.433 2.464 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CCCCCCC1 ZINC001570619226 1068040362 /nfs/dbraw/zinc/04/03/62/1068040362.db2.gz VWGUYOACWUWEIY-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001570653636 1068056451 /nfs/dbraw/zinc/05/64/51/1068056451.db2.gz ULTSEDWFARZMBC-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CO[C@H](CN(C)[C@H](C)CNC(=O)C#CC1CC1)c1ccccc1 ZINC001570710817 1068085853 /nfs/dbraw/zinc/08/58/53/1068085853.db2.gz PVNIIYUNWHIXBB-CRAIPNDOSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC001570749248 1068107533 /nfs/dbraw/zinc/10/75/33/1068107533.db2.gz QDINPIKNNBSQNA-KGLIPLIRSA-N 0 3 308.397 2.353 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2cc(C)ccc2F)C1 ZINC001570860436 1068143968 /nfs/dbraw/zinc/14/39/68/1068143968.db2.gz UBNKRKFULWTVIV-CQSZACIVSA-N 0 3 302.393 2.136 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)CC1(C)C ZINC001570902224 1068156179 /nfs/dbraw/zinc/15/61/79/1068156179.db2.gz NXMCARQSBTVHFU-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CN(CCCO)CC2(C)C)CCCC1 ZINC001570911683 1068158702 /nfs/dbraw/zinc/15/87/02/1068158702.db2.gz LAGQDXCSLYWBQR-HNNXBMFYSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001267204162 1078663816 /nfs/dbraw/zinc/66/38/16/1078663816.db2.gz RHMFNZYVZKYCGX-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001267204162 1078663817 /nfs/dbraw/zinc/66/38/17/1078663817.db2.gz RHMFNZYVZKYCGX-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1c(F)ccc2ccncc21 ZINC001571388065 1068269734 /nfs/dbraw/zinc/26/97/34/1068269734.db2.gz ISFOGJYDCZTXEM-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCC(=O)NC1CCCC1 ZINC001571404244 1068279180 /nfs/dbraw/zinc/27/91/80/1068279180.db2.gz IEDXQPQPZMOCMT-RDTXWAMCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccnc(OC2CCC2)c1 ZINC001571411270 1068282036 /nfs/dbraw/zinc/28/20/36/1068282036.db2.gz AAQFWPKODQKIEC-CQSZACIVSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CO)NCc1ccc(CF)cc1 ZINC001571436624 1068293327 /nfs/dbraw/zinc/29/33/27/1068293327.db2.gz DQIBRMJTMVPNGR-MRXNPFEDSA-N 0 3 322.424 2.325 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](NCc2cccnc2)C[C@H]1C ZINC001571474691 1068324874 /nfs/dbraw/zinc/32/48/74/1068324874.db2.gz IEUVJTVUSISTQJ-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)CCO[C@H]1CCCC[C@H]1C ZINC001267241077 1078691672 /nfs/dbraw/zinc/69/16/72/1078691672.db2.gz JPOCEBIEXLCOIV-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3ccccc3)n2)C1 ZINC001571487805 1068343894 /nfs/dbraw/zinc/34/38/94/1068343894.db2.gz WLIMMYPMEBTAND-ZBFHGGJFSA-N 0 3 322.412 2.293 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001267247929 1078698031 /nfs/dbraw/zinc/69/80/31/1078698031.db2.gz ZATKWZPAXDAEQY-UHFFFAOYSA-N 0 3 301.390 2.414 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC001571512420 1068371017 /nfs/dbraw/zinc/37/10/17/1068371017.db2.gz GGNPOHLKRRYKKI-GDBMZVCRSA-N 0 3 322.474 2.462 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H]1C ZINC001571521055 1068386819 /nfs/dbraw/zinc/38/68/19/1068386819.db2.gz NGPWRTUYIUPMGG-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2cn(C)nc2C)[C@@H]1C ZINC001571523260 1068389436 /nfs/dbraw/zinc/38/94/36/1068389436.db2.gz QLEBXLWIJZRGKU-DOTOQJQBSA-N 0 3 318.465 2.206 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCc2cnn(C)c2)[C@@H]1C ZINC001571521955 1068393336 /nfs/dbraw/zinc/39/33/36/1068393336.db2.gz ZDYLWMNRXMWIEN-ZBFHGGJFSA-N 0 3 318.465 2.144 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)CC(C)(C)C2CC2)CC1(C)C ZINC001571557430 1068418923 /nfs/dbraw/zinc/41/89/23/1068418923.db2.gz OUZJCJMECNDYMN-INIZCTEOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC001571608188 1068437896 /nfs/dbraw/zinc/43/78/96/1068437896.db2.gz ASJGCYLWLOMFEX-MRXNPFEDSA-N 0 3 320.433 2.025 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1cn2ccccc2n1)C(C)C ZINC001571612870 1068439689 /nfs/dbraw/zinc/43/96/89/1068439689.db2.gz BPLMCASQSAEDBT-UHFFFAOYSA-N 0 3 314.433 2.232 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)Cc2ccc(C)s2)CC1 ZINC001571651040 1068459702 /nfs/dbraw/zinc/45/97/02/1068459702.db2.gz LQMGDKZKEOJPQC-AWEZNQCLSA-N 0 3 304.459 2.449 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)COCCCC)CC2)CC1 ZINC001571668652 1068470069 /nfs/dbraw/zinc/47/00/69/1068470069.db2.gz YMZMNQUFCKUWFY-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001267278724 1078724862 /nfs/dbraw/zinc/72/48/62/1078724862.db2.gz OYNYGYMOBWEBFL-IUODEOHRSA-N 0 3 304.438 2.287 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001572240952 1068696192 /nfs/dbraw/zinc/69/61/92/1068696192.db2.gz CBMQRHGXRMCISV-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1nnc(C)[nH]1 ZINC001272308556 1078797659 /nfs/dbraw/zinc/79/76/59/1078797659.db2.gz BTLMNDGWUQDDHW-KGLIPLIRSA-N 0 3 319.453 2.090 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CCC ZINC001515328436 1068862995 /nfs/dbraw/zinc/86/29/95/1068862995.db2.gz XSVIENJGGLYRFS-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1c(C)nn(CC)c1C ZINC001483695118 1078815594 /nfs/dbraw/zinc/81/55/94/1078815594.db2.gz ZNUPGOKVHBDZCX-INIZCTEOSA-N 0 3 318.465 2.219 20 30 DEEDHN Cn1cnc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1=O ZINC001518424973 1069003963 /nfs/dbraw/zinc/00/39/63/1069003963.db2.gz BUBXKLUNCNXOIY-SECBINFHSA-N 0 3 316.386 2.024 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001267397003 1078829729 /nfs/dbraw/zinc/82/97/29/1078829729.db2.gz IJGVHDAEHPBTPT-YHUYYLMFSA-N 0 3 312.429 2.391 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCCNC(=O)c1ccccc1 ZINC001520035511 1069090944 /nfs/dbraw/zinc/09/09/44/1069090944.db2.gz CMGNOWBODFFIDP-HNNXBMFYSA-N 0 3 324.384 2.289 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccccc1OC1CCC1 ZINC001267425749 1078844593 /nfs/dbraw/zinc/84/45/93/1078844593.db2.gz ISCMDOWXHBVWSC-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C)CC2)c1 ZINC001644464751 1078848052 /nfs/dbraw/zinc/84/80/52/1078848052.db2.gz YTQRIDMKDUSRET-CQSZACIVSA-N 0 3 313.401 2.438 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCOCC23CCCC3)CC1 ZINC001521221296 1069220661 /nfs/dbraw/zinc/22/06/61/1069220661.db2.gz CSZDQCMWVDSRJN-MRXNPFEDSA-N 0 3 321.465 2.285 20 30 DEEDHN C[C@H](NC(=O)c1c[nH]c2cccc(C#N)c21)C1=CCN(C)CC1 ZINC001521307629 1069230326 /nfs/dbraw/zinc/23/03/26/1069230326.db2.gz ADHWPXZQFBWMPU-LBPRGKRZSA-N 0 3 308.385 2.420 20 30 DEEDHN C#C[C@@H](NC(=O)[C@H](N)C1CCC1)c1ccc(Br)cc1 ZINC001574504860 1069231393 /nfs/dbraw/zinc/23/13/93/1069231393.db2.gz MSISQGGRVJJMOW-ZIAGYGMSSA-N 0 3 321.218 2.367 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1nc2cc(OC)ccc2[nH]1 ZINC001574852431 1069278237 /nfs/dbraw/zinc/27/82/37/1069278237.db2.gz SMCXKDZMKLIDJX-KOLCDFICSA-N 0 3 322.796 2.219 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCN1c2ccccc2CC[C@H]1C ZINC001574857129 1069278816 /nfs/dbraw/zinc/27/88/16/1069278816.db2.gz MBPAYRSJLAEKCE-HIFRSBDPSA-N 0 3 321.852 2.414 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001574901645 1069291342 /nfs/dbraw/zinc/29/13/42/1069291342.db2.gz PBPNRPJGZMJCGW-JSGCOSHPSA-N 0 3 310.438 2.391 20 30 DEEDHN CCC(=O)NCC[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001267496322 1078922062 /nfs/dbraw/zinc/92/20/62/1078922062.db2.gz QXZYRGXODNBSAC-INIZCTEOSA-N 0 3 302.393 2.415 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)CC(F)(F)F)C1 ZINC001267538515 1078968214 /nfs/dbraw/zinc/96/82/14/1078968214.db2.gz OQRILFFTOGLLIC-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCCOCC2)C1 ZINC001267540550 1078970260 /nfs/dbraw/zinc/97/02/60/1078970260.db2.gz OTJSHZGEQPYCJA-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(O)c(C)c1 ZINC001272614200 1079013372 /nfs/dbraw/zinc/01/33/72/1079013372.db2.gz UFZDTPPIIDPFEB-IBGZPJMESA-N 0 3 312.413 2.291 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272626296 1079019244 /nfs/dbraw/zinc/01/92/44/1079019244.db2.gz VZOFVYZGIHIYDG-GOSISDBHSA-N 0 3 316.401 2.154 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@@H]2CCN(CC#CCOC)C2)CC1 ZINC001267570831 1079028883 /nfs/dbraw/zinc/02/88/83/1079028883.db2.gz SVZITYUVAJRFIG-QGZVFWFLSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(F)cc1C)CC2 ZINC001272667582 1079087013 /nfs/dbraw/zinc/08/70/13/1079087013.db2.gz VFBITZHWFDMRKH-KRWDZBQOSA-N 0 3 314.404 2.486 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CCCCO1 ZINC001272670542 1079101797 /nfs/dbraw/zinc/10/17/97/1079101797.db2.gz USMCVGMKBSORJE-GOSISDBHSA-N 0 3 314.429 2.327 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001649438772 1079119515 /nfs/dbraw/zinc/11/95/15/1079119515.db2.gz LHZQNUZLKLFJAD-HBUWYVDXSA-N 0 3 317.433 2.429 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H](CNCc2scnc2C)C1 ZINC001649461471 1079129402 /nfs/dbraw/zinc/12/94/02/1079129402.db2.gz YXZOAMACBXIWRX-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCC(C)C ZINC001483808303 1079134911 /nfs/dbraw/zinc/13/49/11/1079134911.db2.gz XXVNOUGMKFOACY-ZACQAIPSSA-N 0 3 306.450 2.136 20 30 DEEDHN CC(=NO)[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)C1(C)C ZINC001550416201 1073643169 /nfs/dbraw/zinc/64/31/69/1073643169.db2.gz UGEXIIQLSOBMLL-YJNKXOJESA-N 0 3 307.438 2.194 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)OCC3CC3)C2)C1 ZINC001483830918 1079140853 /nfs/dbraw/zinc/14/08/53/1079140853.db2.gz PWSLJINRWNEGAO-APWZRJJASA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001483830379 1079141596 /nfs/dbraw/zinc/14/15/96/1079141596.db2.gz NNHOWDLKLPQFRE-FUHWJXTLSA-N 0 3 324.440 2.089 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC001481065706 1079147277 /nfs/dbraw/zinc/14/72/77/1079147277.db2.gz ORBJECMKABZVAD-GFCCVEGCSA-N 0 3 310.829 2.020 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001481100343 1079183292 /nfs/dbraw/zinc/18/32/92/1079183292.db2.gz OIVOMAIJSPAKLT-KRWDZBQOSA-N 0 3 323.440 2.411 20 30 DEEDHN C=CCCC(=O)NC1(C)CCN(CCOCC(F)F)CC1 ZINC001483962082 1079215320 /nfs/dbraw/zinc/21/53/20/1079215320.db2.gz FRFJTCJULYMQJA-UHFFFAOYSA-N 0 3 304.381 2.205 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](OCC)C1CC1)C2 ZINC001484021063 1079247317 /nfs/dbraw/zinc/24/73/17/1079247317.db2.gz XSYHEQKGOBKRIO-IEBWSBKVSA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(CCCCC(F)(F)F)C1 ZINC001484038891 1079261939 /nfs/dbraw/zinc/26/19/39/1079261939.db2.gz XROCJQCYIUFYOR-DGCLKSJQSA-N 0 3 305.344 2.459 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cnc2ccccc2n1)C1CC1 ZINC001481174332 1079292392 /nfs/dbraw/zinc/29/23/92/1079292392.db2.gz VZXVMRURKMQHBW-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)c2ncc(F)cc2F)C1 ZINC001646920130 1074694753 /nfs/dbraw/zinc/69/47/53/1074694753.db2.gz QRAFWHIPZSXLCZ-NGZCFLSTSA-N 0 3 308.284 2.125 20 30 DEEDHN C=C(C)CCC(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001484137709 1079317992 /nfs/dbraw/zinc/31/79/92/1079317992.db2.gz UOWRFTREMKNYEJ-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(Cl)ccc1OC ZINC001647358009 1074894209 /nfs/dbraw/zinc/89/42/09/1074894209.db2.gz XKEFQGCYNAMIFJ-GFCCVEGCSA-N 0 3 317.216 2.477 20 30 DEEDHN CC[C@H](C)N1CCN(c2nnc(C3(C#N)CCCC3)n2C)CC1 ZINC001647669926 1074966676 /nfs/dbraw/zinc/96/66/76/1074966676.db2.gz YQARBQPUKIBEND-AWEZNQCLSA-N 0 3 316.453 2.071 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(NC(C)=O)cc1 ZINC001556466001 1075032279 /nfs/dbraw/zinc/03/22/79/1075032279.db2.gz GEDGYMLRBPXDDI-UHFFFAOYSA-N 0 3 303.406 2.225 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001484245913 1079366065 /nfs/dbraw/zinc/36/60/65/1079366065.db2.gz YWLZSBHKDVTEMA-KSSFIOAISA-N 0 3 320.408 2.058 20 30 DEEDHN C#CCOCCN1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001559819390 1075128533 /nfs/dbraw/zinc/12/85/33/1075128533.db2.gz VJDFUPQVHCLASV-KRWDZBQOSA-N 0 3 322.449 2.359 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1(C)CCC(C)CC1 ZINC001566064264 1075160196 /nfs/dbraw/zinc/16/01/96/1075160196.db2.gz IOLKELPPCJWILH-UHFFFAOYSA-N 0 3 308.466 2.243 20 30 DEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC001565832012 1075192443 /nfs/dbraw/zinc/19/24/43/1075192443.db2.gz SHIGNRQDSHQUHZ-QZTJIDSGSA-N 0 3 315.461 2.398 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001565923401 1075206308 /nfs/dbraw/zinc/20/63/08/1075206308.db2.gz YOUVBKWNJJAUSH-FUHWJXTLSA-N 0 3 318.461 2.040 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cnn(C)c1 ZINC001565971949 1075211723 /nfs/dbraw/zinc/21/17/23/1075211723.db2.gz SSRWAMHEPCYCIG-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCOC[C@@H]2CCCO2)[C@@H]1C ZINC001566090630 1075228439 /nfs/dbraw/zinc/22/84/39/1075228439.db2.gz VHTWEMDMLYTKJK-IKGGRYGDSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CC[C@H]2CCCCO2)[C@H]1C ZINC001566105316 1075229537 /nfs/dbraw/zinc/22/95/37/1075229537.db2.gz AVHITZUYXHKNFR-ZACQAIPSSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001267691539 1079378861 /nfs/dbraw/zinc/37/88/61/1079378861.db2.gz QPVSTKGCKBLJBP-UHFFFAOYSA-N 0 3 309.413 2.090 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCc1ccc(F)cc1F ZINC001566505375 1075263937 /nfs/dbraw/zinc/26/39/37/1075263937.db2.gz HKDGRNXTMYMCLM-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001566505930 1075264691 /nfs/dbraw/zinc/26/46/91/1075264691.db2.gz CSRYQQDUFMJHJI-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1ccoc1C(C)C ZINC001566521546 1075269020 /nfs/dbraw/zinc/26/90/20/1075269020.db2.gz SUKLGIGGQLEYCB-UHFFFAOYSA-N 0 3 306.406 2.105 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H](C)C1CCCC1)C1CC1 ZINC001566600593 1075293800 /nfs/dbraw/zinc/29/38/00/1075293800.db2.gz FUYJGZZEPQPJBA-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(CCCNC(=O)Cn1ccc2ccccc21)C1CC1 ZINC001566602783 1075294781 /nfs/dbraw/zinc/29/47/81/1075294781.db2.gz OEVIKHODPRKNSG-UHFFFAOYSA-N 0 3 309.413 2.245 20 30 DEEDHN CC#CCN(CCCNC(=O)CC[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC001566603794 1075295265 /nfs/dbraw/zinc/29/52/65/1075295265.db2.gz DCHYWWBZBLLHGJ-WBVHZDCISA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC001267701355 1079387622 /nfs/dbraw/zinc/38/76/22/1079387622.db2.gz ZVRBVMVYSGULKW-INIZCTEOSA-N 0 3 314.429 2.163 20 30 DEEDHN CCCN(C(=O)CN(C)CC(C)(C)C)C1CCN(CC#N)CC1 ZINC001566700145 1075320613 /nfs/dbraw/zinc/32/06/13/1075320613.db2.gz UCNKCECEMLCPBR-UHFFFAOYSA-N 0 3 322.497 2.191 20 30 DEEDHN C#CCCN1CC(CNC(=O)C[C@H](C)c2cccc(OC)c2)C1 ZINC001267700949 1079388205 /nfs/dbraw/zinc/38/82/05/1079388205.db2.gz KQNYRRGAUDSRQL-HNNXBMFYSA-N 0 3 314.429 2.260 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001566772399 1075340746 /nfs/dbraw/zinc/34/07/46/1075340746.db2.gz PBSWAOALSYZOPY-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001566847442 1075360246 /nfs/dbraw/zinc/36/02/46/1075360246.db2.gz DSODSNBHXOAPSG-OKILXGFUSA-N 0 3 317.433 2.429 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCn1cc(C)cn1 ZINC001566929738 1075390715 /nfs/dbraw/zinc/39/07/15/1075390715.db2.gz IAXDUYPKTRUDML-INIZCTEOSA-N 0 3 304.438 2.128 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccc1C ZINC001267712817 1079399999 /nfs/dbraw/zinc/39/99/99/1079399999.db2.gz VVKRRYWCSPGYIK-IRXDYDNUSA-N 0 3 316.449 2.223 20 30 DEEDHN C#CCCCCC(=O)NC1CCC(NCc2nccn2C)CC1 ZINC001566982477 1075407464 /nfs/dbraw/zinc/40/74/64/1075407464.db2.gz XNRRIRXGYDVVMX-UHFFFAOYSA-N 0 3 316.449 2.131 20 30 DEEDHN C[C@H](CNC(=O)/C=C\c1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001567011788 1075415783 /nfs/dbraw/zinc/41/57/83/1075415783.db2.gz LYPCAWVPYQVAJH-DJFZKKHWSA-N 0 3 314.414 2.256 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N[C@H](C)c1ccccc1F ZINC001567016470 1075416554 /nfs/dbraw/zinc/41/65/54/1075416554.db2.gz ZGPQKIXCRDPJOQ-ZIAGYGMSSA-N 0 3 306.381 2.021 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1cccc2c1OCCO2 ZINC001567020349 1075417833 /nfs/dbraw/zinc/41/78/33/1075417833.db2.gz QCRUYXAYCQGYFH-AWEZNQCLSA-N 0 3 318.417 2.408 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001567020592 1075418412 /nfs/dbraw/zinc/41/84/12/1075418412.db2.gz WEMIUKICFHRRLB-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001267734444 1079425358 /nfs/dbraw/zinc/42/53/58/1079425358.db2.gz JDLHACNLSDYQHL-CVEARBPZSA-N 0 3 304.438 2.218 20 30 DEEDHN C=CCCC(=O)N(C)[C@H]1CCN(CCc2scnc2C)C1 ZINC001267759975 1079462330 /nfs/dbraw/zinc/46/23/30/1079462330.db2.gz SOPLLOYZEQCIQY-AWEZNQCLSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001267780488 1079490940 /nfs/dbraw/zinc/49/09/40/1079490940.db2.gz OWZRVSTUBDZQOB-IRXDYDNUSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001583768769 1076274793 /nfs/dbraw/zinc/27/47/93/1076274793.db2.gz JLPTVRJDQZRFFX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CCC[N@H+](CCOCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590627095 1076662299 /nfs/dbraw/zinc/66/22/99/1076662299.db2.gz DBXZVMXTHXFLTE-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN CCC[N@@H+](CCOCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590627095 1076662301 /nfs/dbraw/zinc/66/23/01/1076662301.db2.gz DBXZVMXTHXFLTE-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN CCC[N@H+](CCOCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590627095 1076662303 /nfs/dbraw/zinc/66/23/03/1076662303.db2.gz DBXZVMXTHXFLTE-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN CCC[N@@H+](CCOCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590627095 1076662305 /nfs/dbraw/zinc/66/23/05/1076662305.db2.gz DBXZVMXTHXFLTE-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001329462098 1148897836 /nfs/dbraw/zinc/89/78/36/1148897836.db2.gz XCZQJIMGUHYQAM-CHWSQXEVSA-N 0 3 304.381 2.061 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@H](C)COC)NCC#Cc1ccccc1 ZINC001267824138 1079517620 /nfs/dbraw/zinc/51/76/20/1079517620.db2.gz XLOGEGDIPIPVTN-WMZOPIPTSA-N 0 3 316.445 2.195 20 30 DEEDHN C#CCCCC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001267835557 1079524887 /nfs/dbraw/zinc/52/48/87/1079524887.db2.gz YUFZKISJISPUJU-UHFFFAOYSA-N 0 3 305.447 2.465 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCOC1)c1ccccc1CC ZINC001484324008 1079539368 /nfs/dbraw/zinc/53/93/68/1079539368.db2.gz KFVXFYIAPQDFHW-RDJZCZTQSA-N 0 3 302.418 2.218 20 30 DEEDHN CCc1nocc1CNC[C@@](C)(NC(=O)C#CC(C)C)C1CC1 ZINC001267854883 1079542581 /nfs/dbraw/zinc/54/25/81/1079542581.db2.gz WOUFBQMJSFAFFD-GOSISDBHSA-N 0 3 317.433 2.271 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2cc(C)n(C)n2)C1 ZINC001484333517 1079546213 /nfs/dbraw/zinc/54/62/13/1079546213.db2.gz RMYHNZRXNYUXCQ-CABCVRRESA-N 0 3 304.438 2.021 20 30 DEEDHN C=C(C)C[NH2+]C[C@@]1(NC(=O)c2cnc[n-]c2=O)CCCC[C@H]1C ZINC001267869331 1079556538 /nfs/dbraw/zinc/55/65/38/1079556538.db2.gz CUYZEZAFMMJOQQ-DYVFJYSZSA-N 0 3 318.421 2.027 20 30 DEEDHN C=C(C)CC[NH2+]C[C@@]1(NC(=O)c2cn[n-]n2)CCCC[C@@H]1C ZINC001267869862 1079556706 /nfs/dbraw/zinc/55/67/06/1079556706.db2.gz HGQGTCUTHVYXOA-BBRMVZONSA-N 0 3 305.426 2.039 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CCNCc2cc(C)n(C)n2)C1 ZINC001484532835 1079647270 /nfs/dbraw/zinc/64/72/70/1079647270.db2.gz KQVOXDMDENKCPH-OAHLLOKOSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2OCC[C@H]2CC)cc1 ZINC001484558250 1079659886 /nfs/dbraw/zinc/65/98/86/1079659886.db2.gz CEWJLJUZSTZUHY-KYJSFNMBSA-N 0 3 314.429 2.402 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](OC)C2CC2)cc1 ZINC001484559248 1079660109 /nfs/dbraw/zinc/66/01/09/1079660109.db2.gz OSZKGKJJQGPQEO-KDOFPFPSSA-N 0 3 314.429 2.402 20 30 DEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1cnn(C2CCC2)c1 ZINC001650495497 1079665755 /nfs/dbraw/zinc/66/57/55/1079665755.db2.gz FLRFHNYRVJVLRH-LLVKDONJSA-N 0 3 303.753 2.485 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)c1ncoc1C1CC1 ZINC001481296735 1079678765 /nfs/dbraw/zinc/67/87/65/1079678765.db2.gz AVGMZOYDNXYPQA-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN CO[C@@H](C)CC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001484627120 1079696265 /nfs/dbraw/zinc/69/62/65/1079696265.db2.gz WILLGCKLOZTHGX-LBPRGKRZSA-N 0 3 321.446 2.173 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001484703369 1079729362 /nfs/dbraw/zinc/72/93/62/1079729362.db2.gz GNGMZBPACRGOQG-KRWDZBQOSA-N 0 3 319.493 2.361 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC001484729776 1079753297 /nfs/dbraw/zinc/75/32/97/1079753297.db2.gz XCLBOTGCRSNYEI-DLBZAZTESA-N 0 3 308.466 2.432 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN([C@H](CCCC)C(N)=O)CC1 ZINC001484720377 1079757492 /nfs/dbraw/zinc/75/74/92/1079757492.db2.gz NVJWHDZUOZZPRX-LSDHHAIUSA-N 0 3 323.481 2.213 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1cnn2cc[nH]c12)c1ccccc1 ZINC001481371279 1079762417 /nfs/dbraw/zinc/76/24/17/1079762417.db2.gz CACHXPVUTVDBSL-MRXNPFEDSA-N 0 3 323.400 2.299 20 30 DEEDHN C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1NCC#Cc1ccccc1 ZINC001484888859 1079839212 /nfs/dbraw/zinc/83/92/12/1079839212.db2.gz JRORXBYLECZTAJ-MAUKXSAKSA-N 0 3 307.397 2.117 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2cc(C)ncn2)CCCC1 ZINC001268033973 1079857502 /nfs/dbraw/zinc/85/75/02/1079857502.db2.gz ILVLOZONNKAUMJ-UHFFFAOYSA-N 0 3 314.433 2.107 20 30 DEEDHN CCOCCOC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001652291770 1079864990 /nfs/dbraw/zinc/86/49/90/1079864990.db2.gz YIVDYPKIZPGDLF-SFHVURJKSA-N 0 3 318.417 2.109 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC2(OC)CCC2)C(C)(C)C1 ZINC001484935497 1079868744 /nfs/dbraw/zinc/86/87/44/1079868744.db2.gz VEMONYOIUPGJGF-HNNXBMFYSA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1ncccc1CN1CC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001484931244 1079872228 /nfs/dbraw/zinc/87/22/28/1079872228.db2.gz GMBLIPZJGXTVEA-CJNGLKHVSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCOCC(F)F)[C@@H](C)C1 ZINC001484968489 1079886095 /nfs/dbraw/zinc/88/60/95/1079886095.db2.gz QXKJUMNNXRBMOJ-STQMWFEESA-N 0 3 304.381 2.203 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN1CCN(CCCC)CC1 ZINC001481470519 1079923679 /nfs/dbraw/zinc/92/36/79/1079923679.db2.gz NNCNOPUEXFWRRO-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)n1ccnc1 ZINC001485044728 1079928372 /nfs/dbraw/zinc/92/83/72/1079928372.db2.gz YYEOQNLFFXDROL-POZUXBRTSA-N 0 3 324.428 2.392 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(OC)nc1 ZINC001485065301 1079942120 /nfs/dbraw/zinc/94/21/20/1079942120.db2.gz PREBFQZSXTZJNE-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1c(C)noc1Cl ZINC001485071112 1079955979 /nfs/dbraw/zinc/95/59/79/1079955979.db2.gz JNDVYXNYHBWHKA-LBPRGKRZSA-N 0 3 311.813 2.288 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H](C)NC(=O)CC1CC1 ZINC001485113921 1079980815 /nfs/dbraw/zinc/98/08/15/1079980815.db2.gz IVSBJNHPEHPMAQ-STQMWFEESA-N 0 3 315.417 2.350 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cccn1C ZINC001485123663 1080001213 /nfs/dbraw/zinc/00/12/13/1080001213.db2.gz GKDQKEVPTQXVEG-HOTGVXAUSA-N 0 3 309.413 2.173 20 30 DEEDHN Cc1cc(C(=O)NC[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)on1 ZINC001656119478 1080049010 /nfs/dbraw/zinc/04/90/10/1080049010.db2.gz ZMDYUOOWEOPSSX-CALCHBBNSA-N 0 3 323.396 2.133 20 30 DEEDHN N#Cc1cccnc1NCCNCc1cccc2[nH]c(=O)oc21 ZINC001656217856 1080066088 /nfs/dbraw/zinc/06/60/88/1080066088.db2.gz NMLVZBVRKQRDHI-UHFFFAOYSA-N 0 3 309.329 2.002 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001656219394 1080068188 /nfs/dbraw/zinc/06/81/88/1080068188.db2.gz MWDAGQSHSAOKBI-BFYDXBDKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001656225484 1080069482 /nfs/dbraw/zinc/06/94/82/1080069482.db2.gz OPMNLZGPLKFJSV-HDJSIYSDSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1c(F)c(F)cc(F)c1F ZINC001485307898 1080130521 /nfs/dbraw/zinc/13/05/21/1080130521.db2.gz SGUBSQZMBZXNGH-QMMMGPOBSA-N 0 3 304.287 2.479 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1c(C)nn(C)c1C ZINC001657071250 1080151967 /nfs/dbraw/zinc/15/19/67/1080151967.db2.gz SOGRSQHVHVBLRV-INIZCTEOSA-N 0 3 318.465 2.078 20 30 DEEDHN C=C(Br)CNCc1ccc(N2CCN(C)CC2)cc1 ZINC001657147225 1080158938 /nfs/dbraw/zinc/15/89/38/1080158938.db2.gz RNNNALLIDQZIOR-UHFFFAOYSA-N 0 3 324.266 2.437 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ncccn2)cc1 ZINC001272700007 1080258008 /nfs/dbraw/zinc/25/80/08/1080258008.db2.gz FNJLBMJIVJGTQA-CQSZACIVSA-N 0 3 308.385 2.081 20 30 DEEDHN C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001481672337 1080283293 /nfs/dbraw/zinc/28/32/93/1080283293.db2.gz YWCUTESZNJDIJC-ROUUACIJSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001485532523 1080288897 /nfs/dbraw/zinc/28/88/97/1080288897.db2.gz HCFLWEHTPRIQHN-GOEBONIOSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCCN(CC)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001660513625 1080349095 /nfs/dbraw/zinc/34/90/95/1080349095.db2.gz WSIRXQKVIRLLCO-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCCCN(CC)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001660513624 1080349488 /nfs/dbraw/zinc/34/94/88/1080349488.db2.gz WSIRXQKVIRLLCO-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc2ccccn21 ZINC001268378360 1080397824 /nfs/dbraw/zinc/39/78/24/1080397824.db2.gz VHMQGICTTSOGDB-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2CCCN(CCCCCF)C2)c[nH]1 ZINC001660814070 1080401111 /nfs/dbraw/zinc/40/11/11/1080401111.db2.gz DNHLNCQAEZFEOW-AWEZNQCLSA-N 0 3 306.385 2.220 20 30 DEEDHN CCCCCCCN1CCC[C@H](NC(=O)c2cnn(CC)n2)C1 ZINC001660818581 1080401428 /nfs/dbraw/zinc/40/14/28/1080401428.db2.gz NMAWNQDBGIOASI-HNNXBMFYSA-N 0 3 321.469 2.463 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001660925838 1080415916 /nfs/dbraw/zinc/41/59/16/1080415916.db2.gz RAKREUOYXOBVDK-DLBZAZTESA-N 0 3 321.509 2.369 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCN[C@@H](C)c2cnccn2)C1 ZINC001268398155 1080423221 /nfs/dbraw/zinc/42/32/21/1080423221.db2.gz HBRWJRDBKYSRGD-KGLIPLIRSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(C)CC[NH2+][C@H](CNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001661131699 1080446282 /nfs/dbraw/zinc/44/62/82/1080446282.db2.gz MHHMRKPNPNXMHR-OAHLLOKOSA-N 0 3 313.405 2.022 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCOc2ccc(C)cc2C)C1 ZINC001661314822 1080468788 /nfs/dbraw/zinc/46/87/88/1080468788.db2.gz RVCDJZALXDLUCQ-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](CN[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001485811984 1080469584 /nfs/dbraw/zinc/46/95/84/1080469584.db2.gz XKTRTRFFXCGGDP-DOMZBBRYSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2c(C)noc2C)C1 ZINC001661395490 1080476383 /nfs/dbraw/zinc/47/63/83/1080476383.db2.gz LOPFRPWENQBCPH-KKUMJFAQSA-N 0 3 321.421 2.009 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001661427353 1080481148 /nfs/dbraw/zinc/48/11/48/1080481148.db2.gz UYTASSAKMHLCAG-HDJSIYSDSA-N 0 3 320.462 2.352 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2nc(C(C)C)no2)C1 ZINC001481772659 1080487762 /nfs/dbraw/zinc/48/77/62/1080487762.db2.gz YWMKGQRVPNNCMI-AWEZNQCLSA-N 0 3 320.437 2.234 20 30 DEEDHN CC(C)C#CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 ZINC001661526198 1080490869 /nfs/dbraw/zinc/49/08/69/1080490869.db2.gz BPFFKDUFYZESBW-AYHJJNSGSA-N 0 3 311.429 2.353 20 30 DEEDHN C=CCOCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001124768099 1080491242 /nfs/dbraw/zinc/49/12/42/1080491242.db2.gz SMKMXMACEJPZMJ-UHFFFAOYSA-N 0 3 317.216 2.402 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001661747485 1080516297 /nfs/dbraw/zinc/51/62/97/1080516297.db2.gz AGCZROLGSNEGTI-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](OC)C(C)C)NCc1ccc(C#N)s1 ZINC001481847377 1080546083 /nfs/dbraw/zinc/54/60/83/1080546083.db2.gz DCLLFAOOOHFDKG-SWLSCSKDSA-N 0 3 323.462 2.275 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(Cc2ncccc2C)CC1 ZINC001673364661 1080591873 /nfs/dbraw/zinc/59/18/73/1080591873.db2.gz ZPEATVMJCCCQFD-MRXNPFEDSA-N 0 3 317.433 2.063 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCCOc1ccc(F)cc1 ZINC001662299260 1080592834 /nfs/dbraw/zinc/59/28/34/1080592834.db2.gz ZRVHIJRKOCXDNS-CQSZACIVSA-N 0 3 306.381 2.102 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)N[C@H](C)C(=O)NC(C)(C)C)CCC1 ZINC001662329998 1080597266 /nfs/dbraw/zinc/59/72/66/1080597266.db2.gz QHEILYOOJQANRP-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCC(=O)NC1CCCCC1 ZINC001662346398 1080599622 /nfs/dbraw/zinc/59/96/22/1080599622.db2.gz XIZDPSLHJHWLHF-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCCC(=O)NCCNCc1ccc(C)c(F)c1 ZINC001125252477 1080608006 /nfs/dbraw/zinc/60/80/06/1080608006.db2.gz FJFMRPDOOFNLPS-UHFFFAOYSA-N 0 3 308.397 2.323 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C(C)(C)c1ccccc1C ZINC001662438191 1080609045 /nfs/dbraw/zinc/60/90/45/1080609045.db2.gz ZVCQOZZEFBRQRW-INIZCTEOSA-N 0 3 316.445 2.017 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)Cc1ccco1 ZINC001268487732 1080618326 /nfs/dbraw/zinc/61/83/26/1080618326.db2.gz HLGHNFSSBGZOGW-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001662635894 1080624939 /nfs/dbraw/zinc/62/49/39/1080624939.db2.gz UILQVKYLZQCKIV-GFCCVEGCSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)CCc1cnn(C)c1 ZINC001329500068 1148902387 /nfs/dbraw/zinc/90/23/87/1148902387.db2.gz FNEJZLKPZHBYCV-CQSZACIVSA-N 0 3 306.454 2.001 20 30 DEEDHN CN(CCCOc1ccc(F)cc1)CCNC(=O)C#CC1CC1 ZINC001663179787 1080716349 /nfs/dbraw/zinc/71/63/49/1080716349.db2.gz DHBPKPLFZGRGGX-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(OC)o2)cc1 ZINC001482033826 1080717959 /nfs/dbraw/zinc/71/79/59/1080717959.db2.gz QKICUANISWFWPY-UHFFFAOYSA-N 0 3 312.369 2.331 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001663644360 1080796632 /nfs/dbraw/zinc/79/66/32/1080796632.db2.gz GCLVGRZZSMQYRD-OXQOHEQNSA-N 0 3 310.441 2.352 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)COc2ccc(C)cc2C)C1 ZINC001663639861 1080797157 /nfs/dbraw/zinc/79/71/57/1080797157.db2.gz YLYHVQBHFBBZEC-KRWDZBQOSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001663668154 1080800111 /nfs/dbraw/zinc/80/01/11/1080800111.db2.gz MCCIHZZAYPVDAR-UHFFFAOYSA-N 0 3 314.429 2.016 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1c(F)cccc1OC ZINC001663665106 1080800974 /nfs/dbraw/zinc/80/09/74/1080800974.db2.gz ZGOJDDJKNJKTMA-UHFFFAOYSA-N 0 3 306.381 2.299 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1CC1(F)F ZINC001482099633 1080801957 /nfs/dbraw/zinc/80/19/57/1080801957.db2.gz UJHOLODSPIIUJV-SMDDNHRTSA-N 0 3 307.344 2.055 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1sc(Cl)nc1Cl ZINC001268624977 1080902792 /nfs/dbraw/zinc/90/27/92/1080902792.db2.gz JPVZOWAUYDLTOT-PLNGDYQASA-N 0 3 318.229 2.349 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc(F)c2occc21 ZINC001268627422 1080903382 /nfs/dbraw/zinc/90/33/82/1080903382.db2.gz HKKFLLHNUVCPHH-PLNGDYQASA-N 0 3 300.333 2.471 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CCC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001664667282 1080939024 /nfs/dbraw/zinc/93/90/24/1080939024.db2.gz HFOAOOCRUXWJMT-IAGOWNOFSA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cccnc2)CCOCC1 ZINC001268713889 1080946511 /nfs/dbraw/zinc/94/65/11/1080946511.db2.gz XLIFPSDTXAJUQN-HNNXBMFYSA-N 0 3 317.433 2.049 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(Cc2ccnn2C)C1 ZINC001664731061 1080950695 /nfs/dbraw/zinc/95/06/95/1080950695.db2.gz LLNRYLQQUWTTRM-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCCO1 ZINC001268935230 1081053781 /nfs/dbraw/zinc/05/37/81/1081053781.db2.gz QEGXTWHSBRQWDP-OKZBNKHCSA-N 0 3 318.461 2.424 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCOCc2ccccc2)C1 ZINC001665686398 1081063025 /nfs/dbraw/zinc/06/30/25/1081063025.db2.gz JERWEBYOEMYOHY-SFHVURJKSA-N 0 3 314.429 2.149 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cnc1C ZINC001268983775 1081074467 /nfs/dbraw/zinc/07/44/67/1081074467.db2.gz ITMINTGBESGGID-HOTGVXAUSA-N 0 3 316.449 2.292 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)SC)NCC#Cc1ccc(F)cc1 ZINC001665758537 1081078455 /nfs/dbraw/zinc/07/84/55/1081078455.db2.gz ALWLHNOBSUFBSY-XJKSGUPXSA-N 0 3 322.449 2.413 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001673478880 1081124806 /nfs/dbraw/zinc/12/48/06/1081124806.db2.gz SGIFITMWODJZBG-HNNXBMFYSA-N 0 3 314.429 2.427 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001666454040 1081153330 /nfs/dbraw/zinc/15/33/30/1081153330.db2.gz NKEDNTMZQGGXMH-GXTWGEPZSA-N 0 3 305.426 2.111 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001269239443 1081178830 /nfs/dbraw/zinc/17/88/30/1081178830.db2.gz BGPDBGYHPBYCKW-VXGBXAGGSA-N 0 3 312.364 2.437 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)CNCc1ccns1 ZINC001667013830 1081202505 /nfs/dbraw/zinc/20/25/05/1081202505.db2.gz UHSRIQPPOWILFE-QEJZJMRPSA-N 0 3 323.462 2.061 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2cnns2)[C@@H](C)C1 ZINC001667169641 1081219311 /nfs/dbraw/zinc/21/93/11/1081219311.db2.gz NQCICKHHDQFKEC-DZGCQCFKSA-N 0 3 320.462 2.058 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cncn1C)C(C)C ZINC001667484119 1081256564 /nfs/dbraw/zinc/25/65/64/1081256564.db2.gz SVXRBPSVXWBEHQ-OAHLLOKOSA-N 0 3 306.454 2.253 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)CCN(C)C[C@@H](CC)OC ZINC001667656829 1081271709 /nfs/dbraw/zinc/27/17/09/1081271709.db2.gz MISLFPGIPYMBDX-GOSISDBHSA-N 0 3 316.445 2.026 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2c(F)cccc2Cl)CC1 ZINC001269526738 1081278481 /nfs/dbraw/zinc/27/84/81/1081278481.db2.gz WCTGUJQTVMUDTF-UHFFFAOYSA-N 0 3 308.784 2.283 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNCc1cc(OC)no1 ZINC001667744160 1081283754 /nfs/dbraw/zinc/28/37/54/1081283754.db2.gz ODFCZTCERZMKLC-GXTWGEPZSA-N 0 3 321.421 2.270 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(COCC)CC1 ZINC001269593283 1081299686 /nfs/dbraw/zinc/29/96/86/1081299686.db2.gz SLNWKNVGFXQHJD-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNCc1ccn(CC)n1 ZINC001668162338 1081322593 /nfs/dbraw/zinc/32/25/93/1081322593.db2.gz DMVQSPUENYDMPT-AWEZNQCLSA-N 0 3 306.454 2.490 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2cnccc2n1 ZINC001668224433 1081329327 /nfs/dbraw/zinc/32/93/27/1081329327.db2.gz RWNRGIFGOBPUPO-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](OCC)C(=C)C)C2)C1 ZINC001269693356 1081337554 /nfs/dbraw/zinc/33/75/54/1081337554.db2.gz UBISAVSYYSVXBE-MJGOQNOKSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)CCC(=C)C)CC2 ZINC001482243062 1081366736 /nfs/dbraw/zinc/36/67/36/1081366736.db2.gz CVKHCHFUMSPHLQ-UHFFFAOYSA-N 0 3 306.450 2.470 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1(CF)CCC1)CC2 ZINC001482245278 1081378158 /nfs/dbraw/zinc/37/81/58/1081378158.db2.gz VHJYEAMWSWIXDF-UHFFFAOYSA-N 0 3 324.440 2.253 20 30 DEEDHN C=CCC1(C(=O)N2CCC3(CN(CCCO)C3)CC2)CCCC1 ZINC001482246960 1081382836 /nfs/dbraw/zinc/38/28/36/1081382836.db2.gz VKSYITVNCHVWDJ-UHFFFAOYSA-N 0 3 320.477 2.430 20 30 DEEDHN COc1cccc(CNC/C=C\CNC(=O)C#CC(C)C)c1 ZINC001668816097 1081401219 /nfs/dbraw/zinc/40/12/19/1081401219.db2.gz WHRDRPSQXXNDSC-PLNGDYQASA-N 0 3 300.402 2.117 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1nc2ccccc2cc1C ZINC001668941533 1081410961 /nfs/dbraw/zinc/41/09/61/1081410961.db2.gz CNYBXZXASUVGTI-BQYQJAHWSA-N 0 3 307.397 2.442 20 30 DEEDHN C=C(Cl)CN[C@H]1CC[C@H](NC(=O)C(=O)C(C)(C)C)CC1 ZINC001269971187 1081413240 /nfs/dbraw/zinc/41/32/40/1081413240.db2.gz ZJPDBFKGMDASSQ-HAQNSBGRSA-N 0 3 300.830 2.371 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C)nnc2CC)cc1 ZINC001270065171 1081441584 /nfs/dbraw/zinc/44/15/84/1081441584.db2.gz GPZHRAVIOBOSPZ-UHFFFAOYSA-N 0 3 322.412 2.000 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C#CC(C)(C)C ZINC001669288976 1081443465 /nfs/dbraw/zinc/44/34/65/1081443465.db2.gz NTGRRHHMXVYVND-CYBMUJFWSA-N 0 3 315.392 2.341 20 30 DEEDHN Cc1nc(CCN(C)C[C@@H](C)NC(=O)C#CC(C)(C)C)cs1 ZINC001669812075 1081471288 /nfs/dbraw/zinc/47/12/88/1081471288.db2.gz VEDHUNXQNYGJFD-CYBMUJFWSA-N 0 3 321.490 2.480 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001669911537 1081478988 /nfs/dbraw/zinc/47/89/88/1081478988.db2.gz WMIQVGGTHSBPMT-ZDUSSCGKSA-N 0 3 306.454 2.246 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001671337572 1081513893 /nfs/dbraw/zinc/51/38/93/1081513893.db2.gz NKNJAEDSLMFPIJ-JSGCOSHPSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C1CCN(CCO)CC1 ZINC001671496792 1081519965 /nfs/dbraw/zinc/51/99/65/1081519965.db2.gz GRJBXCZZBFQTHS-CVEARBPZSA-N 0 3 322.493 2.223 20 30 DEEDHN C#CCN1CC[C@H](N2CCN(C(=O)C(CCC)CCC)CC2)C1 ZINC001270518510 1081541832 /nfs/dbraw/zinc/54/18/32/1081541832.db2.gz ATRDKAMKCYSPRG-SFHVURJKSA-N 0 3 319.493 2.055 20 30 DEEDHN CC1(CNC(=O)C#CC2CC2)CCN(Cc2ccccn2)CC1 ZINC001671834066 1081542215 /nfs/dbraw/zinc/54/22/15/1081542215.db2.gz BWFBWALPAPOVNR-UHFFFAOYSA-N 0 3 311.429 2.213 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)Cc2ccc(F)cc2)CC1 ZINC001671863368 1081544209 /nfs/dbraw/zinc/54/42/09/1081544209.db2.gz YMAZUPWZUGRAKJ-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2cccnc2)CCOCC1 ZINC001671934667 1081551764 /nfs/dbraw/zinc/55/17/64/1081551764.db2.gz CTRFULPCOLPRPD-UHFFFAOYSA-N 0 3 317.433 2.193 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cccs1)C2 ZINC001111385234 1081554152 /nfs/dbraw/zinc/55/41/52/1081554152.db2.gz OXPUQDZVHPGNAQ-BMFZPTHFSA-N 0 3 302.443 2.426 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CN2CCc3ccccc32)C1 ZINC001270658829 1081588011 /nfs/dbraw/zinc/58/80/11/1081588011.db2.gz QJHPBGDPDBPZQP-LJQANCHMSA-N 0 3 313.445 2.206 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001672498824 1081605064 /nfs/dbraw/zinc/60/50/64/1081605064.db2.gz BUUBXHFKZMGECJ-SJLPKXTDSA-N 0 3 320.408 2.216 20 30 DEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC(F)(F)C(F)(F)F ZINC001672544070 1081611013 /nfs/dbraw/zinc/61/10/13/1081611013.db2.gz WHTOHPFIMHNBAF-MNOVXSKESA-N 0 3 324.293 2.273 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cnn3c2CCC3)cc1 ZINC001672938969 1081724423 /nfs/dbraw/zinc/72/44/23/1081724423.db2.gz ZWFLYKFBGSEVJU-CQSZACIVSA-N 0 3 322.412 2.043 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccoc2C2CC2)CCC1 ZINC001673201300 1081745613 /nfs/dbraw/zinc/74/56/13/1081745613.db2.gz AYDHYONMWWXCSM-UHFFFAOYSA-N 0 3 316.401 2.049 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCCc3ccccc31)C2 ZINC001095853193 1081747480 /nfs/dbraw/zinc/74/74/80/1081747480.db2.gz XKAZNIGMTDOJTG-BVBHFADKSA-N 0 3 324.424 2.045 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cccc(C)c2Cl)CCO1 ZINC001673323017 1081754808 /nfs/dbraw/zinc/75/48/08/1081754808.db2.gz RNZBPYWTAULWBT-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC001673362599 1081758051 /nfs/dbraw/zinc/75/80/51/1081758051.db2.gz JIXURBHADYLJSA-STQMWFEESA-N 0 3 322.371 2.237 20 30 DEEDHN C=CCCCC(=O)N1CCC(CC)(NCc2nnc(C)[nH]2)CC1 ZINC001673609492 1081785113 /nfs/dbraw/zinc/78/51/13/1081785113.db2.gz COSVOIQCFXAMLA-UHFFFAOYSA-N 0 3 319.453 2.330 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCOC(C)C)C2 ZINC001673640510 1081787183 /nfs/dbraw/zinc/78/71/83/1081787183.db2.gz YEWDZUAHJUWHGZ-SFHVURJKSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001674039803 1081831413 /nfs/dbraw/zinc/83/14/13/1081831413.db2.gz WAOXOUBPSGPQRD-HZPDHXFCSA-N 0 3 307.482 2.216 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)nn2CC)C1 ZINC001270991319 1081868017 /nfs/dbraw/zinc/86/80/17/1081868017.db2.gz NLEYIZCQRRYYED-QGZVFWFLSA-N 0 3 304.438 2.229 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CCC)OC ZINC001674425203 1081869031 /nfs/dbraw/zinc/86/90/31/1081869031.db2.gz SYOUCXAAGQQHJH-KZNAEPCWSA-N 0 3 314.429 2.197 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccco1 ZINC001674434418 1081870169 /nfs/dbraw/zinc/87/01/69/1081870169.db2.gz AOKAOCZCCUIZKG-ROJDOSBLSA-N 0 3 318.417 2.418 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCc2ccccc2F)C1 ZINC001266248119 1081915196 /nfs/dbraw/zinc/91/51/96/1081915196.db2.gz FNSZLZGRUOWMCR-MRXNPFEDSA-N 0 3 302.393 2.362 20 30 DEEDHN CN(CCNC(=O)C#CC(C)(C)C)C[C@@H](O)C1CCCCC1 ZINC001266273460 1081932474 /nfs/dbraw/zinc/93/24/74/1081932474.db2.gz RYEDLDICKSSBPC-MRXNPFEDSA-N 0 3 308.466 2.025 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccc(CCC)s2)C1 ZINC001271152124 1081938570 /nfs/dbraw/zinc/93/85/70/1081938570.db2.gz JEQCRQFPPXDEPZ-QGZVFWFLSA-N 0 3 322.474 2.443 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266330450 1081976171 /nfs/dbraw/zinc/97/61/71/1081976171.db2.gz DSCVCFYEQZMVMZ-YVSFHVDLSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)CCc1cnn(C)c1 ZINC001282456327 1081978077 /nfs/dbraw/zinc/97/80/77/1081978077.db2.gz ZFRQRUQBGWFCSB-YOEHRIQHSA-N 0 3 306.454 2.001 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1scnc1C(F)(F)F ZINC001266394575 1082016820 /nfs/dbraw/zinc/01/68/20/1082016820.db2.gz UNFUQKYGBGVWBM-UHFFFAOYSA-N 0 3 307.341 2.400 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccnn1C)C2 ZINC001271415620 1082033958 /nfs/dbraw/zinc/03/39/58/1082033958.db2.gz SSRNINNLRGZISS-ZOBUZTSGSA-N 0 3 316.449 2.246 20 30 DEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H](C)COC)C2)CC1 ZINC001271438859 1082043070 /nfs/dbraw/zinc/04/30/70/1082043070.db2.gz PSOOMTBFXBKKBT-FUHWJXTLSA-N 0 3 320.477 2.243 20 30 DEEDHN Cc1cnc(CNCC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)s1 ZINC001271506289 1082069246 /nfs/dbraw/zinc/06/92/46/1082069246.db2.gz XOFYROUPMORDNX-JSGCOSHPSA-N 0 3 320.462 2.472 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)OC ZINC001266496045 1082074268 /nfs/dbraw/zinc/07/42/68/1082074268.db2.gz ZPXBGKKPVSSYNJ-MSOLQXFVSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]([C@H](C)NCc2nccs2)C1 ZINC001271624320 1082096101 /nfs/dbraw/zinc/09/61/01/1082096101.db2.gz BGBPKZFOKSYSLL-KBPBESRZSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2ncccc2C)C1 ZINC001266517178 1082099125 /nfs/dbraw/zinc/09/91/25/1082099125.db2.gz OCRRRKNJRPJTAF-INIZCTEOSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001271688116 1082109831 /nfs/dbraw/zinc/10/98/31/1082109831.db2.gz NWWBDGHEMONEOB-GDBMZVCRSA-N 0 3 300.402 2.246 20 30 DEEDHN CC(C)(C)N1C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1=O ZINC001649269214 1082118468 /nfs/dbraw/zinc/11/84/68/1082118468.db2.gz JYFNRURCBJXGQI-KOLCDFICSA-N 0 3 321.327 2.183 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1=O ZINC001649269205 1082118521 /nfs/dbraw/zinc/11/85/21/1082118521.db2.gz JYFNRURCBJXGQI-GXSJLCMTSA-N 0 3 321.327 2.183 20 30 DEEDHN C=CCN(CCNC(=O)c1cnc(C)nc1C1CC1)C1CC1 ZINC001493444887 1082133674 /nfs/dbraw/zinc/13/36/74/1082133674.db2.gz XUIWUNMXZNXHIZ-UHFFFAOYSA-N 0 3 300.406 2.043 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1scnc1C ZINC001271798844 1082156788 /nfs/dbraw/zinc/15/67/88/1082156788.db2.gz ZLJNRSIUHWTBOH-UHFFFAOYSA-N 0 3 313.426 2.317 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C#CC(C)(C)C)NCc1cncs1 ZINC001482529559 1082161046 /nfs/dbraw/zinc/16/10/46/1082161046.db2.gz JDYQWTFREDEWFV-CQSZACIVSA-N 0 3 307.463 2.423 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cn(C(C)C)nc1C ZINC001266575043 1082168203 /nfs/dbraw/zinc/16/82/03/1082168203.db2.gz ASLWTVPAMDLTHO-UHFFFAOYSA-N 0 3 304.438 2.238 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H](C)n1cnc2ccccc21 ZINC001266575399 1082168721 /nfs/dbraw/zinc/16/87/21/1082168721.db2.gz NCCYEPGUYUSISR-OAHLLOKOSA-N 0 3 312.417 2.059 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)CCc1scnc1C ZINC001266575402 1082169239 /nfs/dbraw/zinc/16/92/39/1082169239.db2.gz NGRZVRYSEJWCGT-UHFFFAOYSA-N 0 3 307.463 2.236 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1ccc(F)cn1 ZINC001266586580 1082177430 /nfs/dbraw/zinc/17/74/30/1082177430.db2.gz CVPPYTKMFNOKJK-QAQDUYKDSA-N 0 3 323.371 2.123 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2cccnc2n1)C1CC1 ZINC001266591957 1082180484 /nfs/dbraw/zinc/18/04/84/1082180484.db2.gz DEUZNZOKRZYTCT-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001266612670 1082209166 /nfs/dbraw/zinc/20/91/66/1082209166.db2.gz ZYKCUPNKWCSIHD-JOCQHMNTSA-N 0 3 303.406 2.039 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)COCCCC)C1 ZINC001266658697 1082254508 /nfs/dbraw/zinc/25/45/08/1082254508.db2.gz HMCKAPCFQPUROR-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN CC/C=C(\C)C(=O)N1CCC[C@@H]2CN(CC#CCOC)CC[C@@H]21 ZINC001266658384 1082254624 /nfs/dbraw/zinc/25/46/24/1082254624.db2.gz CIPQKMRQZQPPOR-NGLGELEOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001482584864 1082280725 /nfs/dbraw/zinc/28/07/25/1082280725.db2.gz HQXVSNIUBUPZGH-AWEZNQCLSA-N 0 3 308.397 2.480 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)C1(C(F)F)CC1 ZINC001266699892 1082292252 /nfs/dbraw/zinc/29/22/52/1082292252.db2.gz RPPPCLKTABKLCN-UHFFFAOYSA-N 0 3 307.344 2.152 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2conc2CC)C1 ZINC001266705530 1082295337 /nfs/dbraw/zinc/29/53/37/1082295337.db2.gz KLFBOLNHJOBCOL-GASCZTMLSA-N 0 3 303.406 2.167 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](CN[C@H](C)c2nncn2C)C1 ZINC001266804163 1082357243 /nfs/dbraw/zinc/35/72/43/1082357243.db2.gz CQIFEZGGFDSCDO-CABCVRRESA-N 0 3 319.453 2.061 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCc1cccc(OC)c1 ZINC001482612417 1082394490 /nfs/dbraw/zinc/39/44/90/1082394490.db2.gz YWYMPGXUPORNLB-UHFFFAOYSA-N 0 3 302.418 2.041 20 30 DEEDHN C=CCOCC[NH2+]C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001266907446 1082447518 /nfs/dbraw/zinc/44/75/18/1082447518.db2.gz ULASPFCTYCTRMW-UHFFFAOYSA-N 0 3 318.417 2.225 20 30 DEEDHN Cc1nocc1CNC1CCC(NC(=O)C#CC(C)C)CC1 ZINC001266909039 1082448192 /nfs/dbraw/zinc/44/81/92/1082448192.db2.gz XDINJQFDWSZNRG-UHFFFAOYSA-N 0 3 303.406 2.159 20 30 DEEDHN CCC(C)(CC)C(=O)N1CC[C@@H]2[C@H](CCN2CC#CCOC)C1 ZINC001482669346 1082452501 /nfs/dbraw/zinc/45/25/01/1082452501.db2.gz ZEVDTBOCAHJZAY-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1ccnc(N(C)C)c1 ZINC001266975247 1082485231 /nfs/dbraw/zinc/48/52/31/1082485231.db2.gz MVZSDAUHCNXMMS-CQSZACIVSA-N 0 3 318.465 2.344 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC001482824112 1082518285 /nfs/dbraw/zinc/51/82/85/1082518285.db2.gz DNQXNFYJOKHWNB-GHMZBOCLSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@H](C)CSC ZINC001482817211 1082521957 /nfs/dbraw/zinc/52/19/57/1082521957.db2.gz SEVIMYALOOOUSC-KOLCDFICSA-N 0 3 323.300 2.379 20 30 DEEDHN Cc1cnc([C@@H](C)NCC[C@@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001482830888 1082522566 /nfs/dbraw/zinc/52/25/66/1082522566.db2.gz BOLIJMYBWHLYLZ-UKRRQHHQSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1cc(C)ncn1 ZINC001482867253 1082536616 /nfs/dbraw/zinc/53/66/16/1082536616.db2.gz GXNBFPIUYYTMHS-DYVFJYSZSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1coc(CC2CC2)n1 ZINC001482884378 1082541863 /nfs/dbraw/zinc/54/18/63/1082541863.db2.gz WSRZQCDSCUGWJH-LLVKDONJSA-N 0 3 311.813 2.478 20 30 DEEDHN C#CCNCCN(CC)C(=O)CCOc1cccc(C)c1C ZINC001482927112 1082565534 /nfs/dbraw/zinc/56/55/34/1082565534.db2.gz ISOTVKKUYBEOFP-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc(Cl)c(OC)c1 ZINC001482955837 1082577293 /nfs/dbraw/zinc/57/72/93/1082577293.db2.gz WBHAESDJUOJTHQ-UHFFFAOYSA-N 0 3 308.809 2.424 20 30 DEEDHN COCC#CCN1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@@H]21 ZINC001272196143 1082641243 /nfs/dbraw/zinc/64/12/43/1082641243.db2.gz OZNJKMFXNVKALI-ROUUACIJSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCC1(C(=O)NC/C=C/CNCC#CCOC)CCCC1 ZINC001483102326 1082709788 /nfs/dbraw/zinc/70/97/88/1082709788.db2.gz BOHQQBSMEQWOKE-VOTSOKGWSA-N 0 3 304.434 2.035 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cscn1 ZINC001272259723 1082822594 /nfs/dbraw/zinc/82/25/94/1082822594.db2.gz BKWFLRJMGMZBSZ-UKRRQHHQSA-N 0 3 305.447 2.321 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CC1(F)F)N(C)Cc1cccc(C#N)c1 ZINC001409559777 1082954609 /nfs/dbraw/zinc/95/46/09/1082954609.db2.gz ZVOYWSXVKYXSFX-FZMZJTMJSA-N 0 3 307.344 2.150 20 30 DEEDHN CCc1cc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)no1 ZINC001483285374 1083073737 /nfs/dbraw/zinc/07/37/37/1083073737.db2.gz YIYWRHFHHBINJF-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001483329279 1083105166 /nfs/dbraw/zinc/10/51/66/1083105166.db2.gz AJNFHIMFGCOXMP-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)CCn1cc(Cl)cn1 ZINC001483342220 1083118176 /nfs/dbraw/zinc/11/81/76/1083118176.db2.gz JKFHLOBDNBUJJI-CYBMUJFWSA-N 0 3 312.845 2.329 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001276459496 1083448170 /nfs/dbraw/zinc/44/81/70/1083448170.db2.gz AXCWSUILTFCYFH-OLZOCXBDSA-N 0 3 318.465 2.218 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001281184622 1083543991 /nfs/dbraw/zinc/54/39/91/1083543991.db2.gz LWEIHNQRQIATDW-QFBILLFUSA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1[O-] ZINC001276685280 1083548064 /nfs/dbraw/zinc/54/80/64/1083548064.db2.gz WTYKOMQZINBRII-LJQANCHMSA-N 0 3 316.445 2.417 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1[O-] ZINC001276685280 1083548076 /nfs/dbraw/zinc/54/80/76/1083548076.db2.gz WTYKOMQZINBRII-LJQANCHMSA-N 0 3 316.445 2.417 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@H](CC)C1 ZINC001276732795 1083576316 /nfs/dbraw/zinc/57/63/16/1083576316.db2.gz YVQRJFYBRYEIDL-GDBMZVCRSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCSC)C1 ZINC001107722283 1083635711 /nfs/dbraw/zinc/63/57/11/1083635711.db2.gz FLUBWGVXPVLWSA-ZBFHGGJFSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001276859499 1083649873 /nfs/dbraw/zinc/64/98/73/1083649873.db2.gz BMTGQAAUYQKKHW-LSDHHAIUSA-N 0 3 304.438 2.452 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001276950209 1083697218 /nfs/dbraw/zinc/69/72/18/1083697218.db2.gz PZWXEUPQKBEEQP-DZGCQCFKSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001277026979 1083737811 /nfs/dbraw/zinc/73/78/11/1083737811.db2.gz MFXSSCKGXOJBIX-JOCQHMNTSA-N 0 3 322.478 2.433 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001490886034 1083753676 /nfs/dbraw/zinc/75/36/76/1083753676.db2.gz IFTYIANWTHUURQ-SOICHRRHSA-N 0 3 324.222 2.173 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1cc(F)ccc1F ZINC001280849271 1083758063 /nfs/dbraw/zinc/75/80/63/1083758063.db2.gz BAQJRKYCRYEBHD-UHFFFAOYSA-N 0 3 308.372 2.311 20 30 DEEDHN C#CCSCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001127874182 1083762224 /nfs/dbraw/zinc/76/22/24/1083762224.db2.gz SGIOZFRNSAVTTA-KRWDZBQOSA-N 0 3 316.470 2.476 20 30 DEEDHN C[C@@H]1C[C@H]1CN1CCc2nc(C(=O)N3CC(CC#N)C3)ccc2C1 ZINC001277145240 1083807442 /nfs/dbraw/zinc/80/74/42/1083807442.db2.gz ADDFROFWTBRCKU-CJNGLKHVSA-N 0 3 324.428 2.081 20 30 DEEDHN C=CCNC(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001277173453 1083828928 /nfs/dbraw/zinc/82/89/28/1083828928.db2.gz CHDMKOFJNFTBMT-UHFFFAOYSA-N 0 3 305.344 2.232 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2c(C)onc2CC)C1 ZINC001490917428 1083924087 /nfs/dbraw/zinc/92/40/87/1083924087.db2.gz RLELQJPRNAEKDY-JOCQHMNTSA-N 0 3 305.422 2.494 20 30 DEEDHN C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC/C=C/CC ZINC001277432090 1083965449 /nfs/dbraw/zinc/96/54/49/1083965449.db2.gz UBOCEJQFKLSPCD-FBLDJFESSA-N 0 3 318.461 2.448 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001490999237 1083989882 /nfs/dbraw/zinc/98/98/82/1083989882.db2.gz CEYDWVZPHBZJGA-FGTMMUONSA-N 0 3 314.429 2.090 20 30 DEEDHN COCC#CCN1CCC2(CCN(C(=O)C3CCCC3)C2)CC1 ZINC001277474547 1083991518 /nfs/dbraw/zinc/99/15/18/1083991518.db2.gz RJEYLVTUKFINCR-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN Cc1ccccc1CN1CC2(C[C@@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001277470664 1083992761 /nfs/dbraw/zinc/99/27/61/1083992761.db2.gz UKKCJVBIIIPPSX-MRXNPFEDSA-N 0 3 309.413 2.379 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC001670900397 1084034101 /nfs/dbraw/zinc/03/41/01/1084034101.db2.gz QBYMRJVAESXLFO-GFCCVEGCSA-N 0 3 302.443 2.358 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001670906739 1084048201 /nfs/dbraw/zinc/04/82/01/1084048201.db2.gz HCJMWIRNKYMTQU-OAHLLOKOSA-N 0 3 306.450 2.091 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001491102980 1084073226 /nfs/dbraw/zinc/07/32/26/1084073226.db2.gz SQPOMXBSINEIFF-RHSMWYFYSA-N 0 3 310.401 2.046 20 30 DEEDHN C=C(Br)CNC[C@@H](NC(=O)CCOC)C(C)(C)C ZINC001403934049 1084084148 /nfs/dbraw/zinc/08/41/48/1084084148.db2.gz AATSIEUSKCEIJA-LLVKDONJSA-N 0 3 321.259 2.052 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2cccc(OC)c2)C1 ZINC001491129441 1084094052 /nfs/dbraw/zinc/09/40/52/1084094052.db2.gz RXDGLYXGUDBOLA-KRWDZBQOSA-N 0 3 314.429 2.089 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)C=C(C)C)cc1C#N ZINC001277750788 1084126848 /nfs/dbraw/zinc/12/68/48/1084126848.db2.gz BVQLUTJRYGNYGJ-CQSZACIVSA-N 0 3 315.417 2.470 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NCC(C)C ZINC001277865360 1084183997 /nfs/dbraw/zinc/18/39/97/1084183997.db2.gz FQBWRWRDLXWREQ-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001235036233 1084283707 /nfs/dbraw/zinc/28/37/07/1084283707.db2.gz KSOMGKMERKHBQB-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCCOCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001272825725 1084310365 /nfs/dbraw/zinc/31/03/65/1084310365.db2.gz HUHQVFYJVCUAJS-OAHLLOKOSA-N 0 3 312.429 2.252 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001277924434 1084317439 /nfs/dbraw/zinc/31/74/39/1084317439.db2.gz HXRCZDWWUZUUJH-GOEBONIOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@H](NC(=O)[C@H](C)CC)C2)n1 ZINC001128089489 1084322537 /nfs/dbraw/zinc/32/25/37/1084322537.db2.gz JPGCTTMYNOYOGX-ZBFHGGJFSA-N 0 3 316.449 2.098 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3cnccn3)C2)C1=O ZINC001272834369 1084353980 /nfs/dbraw/zinc/35/39/80/1084353980.db2.gz XGLMPCPBPYXIFM-IBGZPJMESA-N 0 3 320.396 2.153 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCN(C)CCC(F)(F)F ZINC001235230947 1084354598 /nfs/dbraw/zinc/35/45/98/1084354598.db2.gz WDVJGZLSOJFWLM-LBPRGKRZSA-N 0 3 310.360 2.358 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(Cc3cc(C)cs3)C2)OCC1=O ZINC001272872386 1084402137 /nfs/dbraw/zinc/40/21/37/1084402137.db2.gz NMVGDGJZJRAZNU-KRWDZBQOSA-N 0 3 320.458 2.436 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001235569101 1084468153 /nfs/dbraw/zinc/46/81/53/1084468153.db2.gz MBRKYOUBTMUHGP-HZPDHXFCSA-N 0 3 323.481 2.016 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@@H]1C ZINC001078468023 1084704510 /nfs/dbraw/zinc/70/45/10/1084704510.db2.gz VHLSTUQRKYUAKU-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C12CCC2 ZINC001078598613 1084762919 /nfs/dbraw/zinc/76/29/19/1084762919.db2.gz HCWWUFKCYSELTG-KGLIPLIRSA-N 0 3 318.808 2.269 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]nc2C)C12CCC2 ZINC001078692433 1084827314 /nfs/dbraw/zinc/82/73/14/1084827314.db2.gz AAXPWBIVTQUICO-QWHCGFSZSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2=CCOCC2)C12CCC2 ZINC001078718512 1084843931 /nfs/dbraw/zinc/84/39/31/1084843931.db2.gz QYVYVXFJAXVACY-LSDHHAIUSA-N 0 3 324.852 2.493 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)COCCN(Cc1sccc1C)C2 ZINC001272933232 1084872593 /nfs/dbraw/zinc/87/25/93/1084872593.db2.gz UQMSMGJEWFVLOY-QGZVFWFLSA-N 0 3 320.458 2.293 20 30 DEEDHN C[C@H](CN(C)C(=O)Cc1cccnc1)NCC#Cc1ccccc1 ZINC001485866617 1084940122 /nfs/dbraw/zinc/94/01/22/1084940122.db2.gz LBXSENWIZUMNMA-QGZVFWFLSA-N 0 3 321.424 2.112 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NCC(=O)NC1CCCC1 ZINC001485909782 1084973818 /nfs/dbraw/zinc/97/38/18/1084973818.db2.gz SXSYFSNVIQKAIL-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2scnc2C)[C@H]1C ZINC001486079107 1085064845 /nfs/dbraw/zinc/06/48/45/1085064845.db2.gz LBNHBQZLUZNYBC-KGLIPLIRSA-N 0 3 305.447 2.334 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3oc(C)nc32)C1 ZINC001486137478 1085083308 /nfs/dbraw/zinc/08/33/08/1085083308.db2.gz VPXPWJNFSYQQCD-OCCSQVGLSA-N 0 3 311.385 2.352 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCN(CCOCC(C)C)[C@@H]1C ZINC001486172439 1085104601 /nfs/dbraw/zinc/10/46/01/1085104601.db2.gz ZXJJOABTCDVVHO-IAGOWNOFSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2cccnc2C)[C@H]1C ZINC001486181311 1085108898 /nfs/dbraw/zinc/10/88/98/1085108898.db2.gz SJTAQBYDJQQJMD-NVXWUHKLSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NCc2cnc(C)nc2)C(C)(C)C1 ZINC001486240985 1085160121 /nfs/dbraw/zinc/16/01/21/1085160121.db2.gz REKHBLDHOMQOEF-MRXNPFEDSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)ncn1 ZINC000960259073 1085169174 /nfs/dbraw/zinc/16/91/74/1085169174.db2.gz RHJFWAREIODPBN-SJLPKXTDSA-N 0 3 322.412 2.347 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)CC1 ZINC000960299528 1085187003 /nfs/dbraw/zinc/18/70/03/1085187003.db2.gz PZPBDQYEKJNXBT-QZTJIDSGSA-N 0 3 314.429 2.097 20 30 DEEDHN COc1ccc(CN(C)C[C@@H]2CCCN2C(C)=O)cc1C#N ZINC000960351054 1085213229 /nfs/dbraw/zinc/21/32/29/1085213229.db2.gz WHWAYMLWMHQSQU-INIZCTEOSA-N 0 3 301.390 2.010 20 30 DEEDHN CSCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960403055 1085258102 /nfs/dbraw/zinc/25/81/02/1085258102.db2.gz ZBYSNFGDTQKJQA-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000960439270 1085283814 /nfs/dbraw/zinc/28/38/14/1085283814.db2.gz HMHOBRIMWVBFEC-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960494015 1085313638 /nfs/dbraw/zinc/31/36/38/1085313638.db2.gz LKYQXZIRQNPAGR-RHSMWYFYSA-N 0 3 310.401 2.141 20 30 DEEDHN CCc1onc(C)c1CNC1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001486461703 1085347973 /nfs/dbraw/zinc/34/79/73/1085347973.db2.gz WJFQTSIMEQMIPI-UHFFFAOYSA-N 0 3 315.417 2.038 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000960631005 1085391553 /nfs/dbraw/zinc/39/15/53/1085391553.db2.gz JCHWUWLOOCKVOJ-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001128252049 1085642510 /nfs/dbraw/zinc/64/25/10/1085642510.db2.gz CLXDKYBECNEAIQ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000965910104 1085689915 /nfs/dbraw/zinc/68/99/15/1085689915.db2.gz KIIBKSASEYYXQP-BBRMVZONSA-N 0 3 300.406 2.293 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)C2(F)CCCC2)[C@H](OC)C1 ZINC001212493979 1085744792 /nfs/dbraw/zinc/74/47/92/1085744792.db2.gz MVCAUZVLKWECLC-RRFJBIMHSA-N 0 3 312.429 2.439 20 30 DEEDHN C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C=CCC1 ZINC000961518560 1085768394 /nfs/dbraw/zinc/76/83/94/1085768394.db2.gz ZYCXOHRRWKHPIT-DOADOZAASA-N 0 3 321.424 2.461 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC001128417807 1085773799 /nfs/dbraw/zinc/77/37/99/1085773799.db2.gz GYSXGRIBMATVMU-PCKAHOCUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC001128418470 1085775195 /nfs/dbraw/zinc/77/51/95/1085775195.db2.gz NZRUNVYTYGLJPZ-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1-c1cccs1 ZINC000962065784 1085959846 /nfs/dbraw/zinc/95/98/46/1085959846.db2.gz HTOBHQXDGKACSG-PJXYFTJBSA-N 0 3 315.398 2.249 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3cnn(C)c3C)CC2)C1=O ZINC001273017766 1085974604 /nfs/dbraw/zinc/97/46/04/1085974604.db2.gz BIDMZSQAEPYNFR-UHFFFAOYSA-N 0 3 316.449 2.119 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc(OCCC)c1 ZINC000962240269 1086033434 /nfs/dbraw/zinc/03/34/34/1086033434.db2.gz BNCBSGJZNIAWTE-DZFIZOCASA-N 0 3 314.429 2.250 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2CCc2ccc(F)cc2)C1=O ZINC001273041216 1086068234 /nfs/dbraw/zinc/06/82/34/1086068234.db2.gz OVUSOVPMZAZNEQ-GOSISDBHSA-N 0 3 300.377 2.068 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCNCc1cccc(F)c1)OCC ZINC001128529043 1086182958 /nfs/dbraw/zinc/18/29/58/1086182958.db2.gz WNZSLDMLYAQBDU-MRXNPFEDSA-N 0 3 308.397 2.403 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C2CCCC2)no1 ZINC000962613481 1086185513 /nfs/dbraw/zinc/18/55/13/1086185513.db2.gz FOQIMCRNISIVAN-VIKVFOODSA-N 0 3 301.390 2.178 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C(C)C)cc1 ZINC000962984625 1086289181 /nfs/dbraw/zinc/28/91/81/1086289181.db2.gz CCAKNJOPRXXRFI-PIIMJCKOSA-N 0 3 313.445 2.377 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3nsnc32)C1 ZINC001033538874 1086328889 /nfs/dbraw/zinc/32/88/89/1086328889.db2.gz WPAYHERAOPRFDN-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccc(C#N)[nH]1)C2 ZINC000963697756 1086540628 /nfs/dbraw/zinc/54/06/28/1086540628.db2.gz QUSYFBBGGLAPHF-UHFFFAOYSA-N 0 3 318.808 2.269 20 30 DEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1C[C@@H](CO)C1 ZINC000707517029 1086672712 /nfs/dbraw/zinc/67/27/12/1086672712.db2.gz HHWKYKNBGTXOFO-VDISTLRHSA-N 0 3 324.218 2.322 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)CN1CCC[C@H]1C ZINC001486871169 1087009300 /nfs/dbraw/zinc/00/93/00/1087009300.db2.gz QQEPOAMMNUJOSD-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001486950783 1087040635 /nfs/dbraw/zinc/04/06/35/1087040635.db2.gz XSOPHEBRBLKYMM-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCN(C)C(=O)C1(C)CCC1 ZINC001493660771 1087236126 /nfs/dbraw/zinc/23/61/26/1087236126.db2.gz ULKJKDAIPOISEN-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(COC)c(F)c2)CCC1 ZINC001273187182 1087237650 /nfs/dbraw/zinc/23/76/50/1087237650.db2.gz UXEAYTDYOLXUAT-UHFFFAOYSA-N 0 3 318.392 2.238 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001063061322 1087341925 /nfs/dbraw/zinc/34/19/25/1087341925.db2.gz YKVKJIJMQJAOLJ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1(CNC(=O)CN(CC)CC)CCC1 ZINC001063131173 1087357730 /nfs/dbraw/zinc/35/77/30/1087357730.db2.gz VRKRYIVHIMHSKJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)CN(C)CCC)CCC1 ZINC001064104530 1087548105 /nfs/dbraw/zinc/54/81/05/1087548105.db2.gz QGVUVOJTILLZRY-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001114681890 1088064043 /nfs/dbraw/zinc/06/40/43/1088064043.db2.gz ZOLHIVPUJJBLTA-ZSHCYNCHSA-N 0 3 306.450 2.204 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114690020 1088094952 /nfs/dbraw/zinc/09/49/52/1088094952.db2.gz UFZUJQVWUZYXNU-DZFIZOCASA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnn2CC(C)C)C1 ZINC001098860783 1088270770 /nfs/dbraw/zinc/27/07/70/1088270770.db2.gz XVKMNLPIRHGIDE-YJBOKZPZSA-N 0 3 316.449 2.309 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)Cn1cc(C2CC2)cn1 ZINC001276310162 1088397504 /nfs/dbraw/zinc/39/75/04/1088397504.db2.gz DVTIIEXWVHLQPW-KRWDZBQOSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)nn2CC)C1 ZINC001079926816 1088506574 /nfs/dbraw/zinc/50/65/74/1088506574.db2.gz RBGJCUWRLBWYSO-CZUORRHYSA-N 0 3 316.449 2.407 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1(NCC(=C)Cl)CCCCC1 ZINC001115532164 1088515567 /nfs/dbraw/zinc/51/55/67/1088515567.db2.gz MZHJKZNASRDNMU-AWEZNQCLSA-N 0 3 312.841 2.186 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001080098174 1088623248 /nfs/dbraw/zinc/62/32/48/1088623248.db2.gz IKUKBVJOZBDKII-XNRPHZJLSA-N 0 3 318.392 2.314 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(CC(C)C)s2)[C@H](O)C1 ZINC000958140270 1088815567 /nfs/dbraw/zinc/81/55/67/1088815567.db2.gz QPIWXBTXFZUDSM-UKRRQHHQSA-N 0 3 322.474 2.155 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001080351557 1088845471 /nfs/dbraw/zinc/84/54/71/1088845471.db2.gz GUTMGYPWJXFTCE-IUODEOHRSA-N 0 3 320.820 2.422 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000958309650 1088916209 /nfs/dbraw/zinc/91/62/09/1088916209.db2.gz OWBYPXGBYWFAQS-CJNGLKHVSA-N 0 3 322.836 2.165 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC001080475556 1088983004 /nfs/dbraw/zinc/98/30/04/1088983004.db2.gz RVLJJIDMULVHNU-RHSMWYFYSA-N 0 3 301.434 2.199 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC000958480807 1089005582 /nfs/dbraw/zinc/00/55/82/1089005582.db2.gz IQIYLOMPMOEUCP-CABCVRRESA-N 0 3 324.371 2.223 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001080528115 1089042802 /nfs/dbraw/zinc/04/28/02/1089042802.db2.gz HSADHPFYUCGASM-RHSMWYFYSA-N 0 3 322.412 2.150 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001080567035 1089069247 /nfs/dbraw/zinc/06/92/47/1089069247.db2.gz ZOYVUTPKIROTHB-DGCLKSJQSA-N 0 3 322.478 2.144 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001080597004 1089070665 /nfs/dbraw/zinc/07/06/65/1089070665.db2.gz JTUHRODPDDAJDP-DDBAPUKQSA-N 0 3 314.429 2.387 20 30 DEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2scnc2COC)C1 ZINC001080582564 1089076202 /nfs/dbraw/zinc/07/62/02/1089076202.db2.gz PJTBJQWETLXCND-CHWSQXEVSA-N 0 3 323.462 2.306 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(F)F)c2)C1 ZINC000958597081 1089079053 /nfs/dbraw/zinc/07/90/53/1089079053.db2.gz AKRJGTKIGQCLAP-CABCVRRESA-N 0 3 324.371 2.223 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC000958611093 1089091722 /nfs/dbraw/zinc/09/17/22/1089091722.db2.gz XWCUEVIKFXPSKP-IRXDYDNUSA-N 0 3 302.418 2.019 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1c[nH]c2ncccc12 ZINC001273202445 1089097817 /nfs/dbraw/zinc/09/78/17/1089097817.db2.gz FUPXQHBGYMDFOY-LBPRGKRZSA-N 0 3 320.824 2.342 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(OC(C)C)n2)C1 ZINC001080688939 1089138975 /nfs/dbraw/zinc/13/89/75/1089138975.db2.gz DAHTVAVFQNQJIY-GDBMZVCRSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001080750923 1089169891 /nfs/dbraw/zinc/16/98/91/1089169891.db2.gz WOADRQXKSVVSOX-CZUORRHYSA-N 0 3 316.449 2.407 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001080887812 1089230662 /nfs/dbraw/zinc/23/06/62/1089230662.db2.gz QDOROWPJBIXUSP-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2oc(C)nc2C)C[C@H]1c1ccccc1 ZINC001081101163 1089352681 /nfs/dbraw/zinc/35/26/81/1089352681.db2.gz NUHGYCXUDCKGDC-DLBZAZTESA-N 0 3 323.396 2.122 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1c1ccccc1 ZINC001081188859 1089369790 /nfs/dbraw/zinc/36/97/90/1089369790.db2.gz IPNJEVWTHZSRSJ-OKZBNKHCSA-N 0 3 308.425 2.394 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H]2CCC(F)(F)C2)[C@H](OC)C1 ZINC001081779880 1089453884 /nfs/dbraw/zinc/45/38/84/1089453884.db2.gz KDDBQBNJIYCKAG-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CCCCC2(F)F)[C@H](OC)C1 ZINC001081985561 1089616455 /nfs/dbraw/zinc/61/64/55/1089616455.db2.gz WRNUVYZNHTYLLL-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@H](OC)C1 ZINC001081995265 1089626193 /nfs/dbraw/zinc/62/61/93/1089626193.db2.gz CQHGMJBLNPQOJJ-HZPDHXFCSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001082181710 1089761147 /nfs/dbraw/zinc/76/11/47/1089761147.db2.gz SDMDYDNIUMXXAF-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](OC)C1 ZINC001082338059 1089857866 /nfs/dbraw/zinc/85/78/66/1089857866.db2.gz VMTJXQZNYGBKJB-HUUCEWRRSA-N 0 3 308.809 2.345 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C[C@H]3C=CCC3)[C@H]2C1 ZINC001082994516 1090136544 /nfs/dbraw/zinc/13/65/44/1090136544.db2.gz PKIVFWNTQDEOEK-YESZJQIVSA-N 0 3 304.434 2.221 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CC3=CCCCC3)[C@H]2C1 ZINC001083025340 1090143629 /nfs/dbraw/zinc/14/36/29/1090143629.db2.gz FGQLPOFXLYEHQD-DLBZAZTESA-N 0 3 304.434 2.365 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001084082374 1090195329 /nfs/dbraw/zinc/19/53/29/1090195329.db2.gz ILMIZZGRKPLRNS-SOLBZPMBSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001084083239 1090195711 /nfs/dbraw/zinc/19/57/11/1090195711.db2.gz FBEFOPJEOSYCTE-NXHRZFHOSA-N 0 3 316.445 2.226 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001084126204 1090203147 /nfs/dbraw/zinc/20/31/47/1090203147.db2.gz JUPBLIFGEMIWLL-KGLIPLIRSA-N 0 3 308.466 2.186 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(Cl)cnn3CC)[C@@H]2C1 ZINC001084370892 1090279880 /nfs/dbraw/zinc/27/98/80/1090279880.db2.gz OTYFAZNUCMYCGG-TZMCWYRMSA-N 0 3 322.840 2.279 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)[C@@H]2C1 ZINC001084513506 1090319549 /nfs/dbraw/zinc/31/95/49/1090319549.db2.gz DENQQHWTKXROSM-XMTFNYHQSA-N 0 3 318.461 2.158 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C4CC4)on3)[C@@H]2C1 ZINC001084556368 1090328024 /nfs/dbraw/zinc/32/80/24/1090328024.db2.gz MUEGYQZLLSNFLZ-UKRRQHHQSA-N 0 3 301.390 2.274 20 30 DEEDHN C#CCSCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001119524264 1090394524 /nfs/dbraw/zinc/39/45/24/1090394524.db2.gz IPLIHHASOZOVGL-HOCLYGCPSA-N 0 3 302.443 2.132 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)[C@@H]2C1 ZINC001084694784 1090396709 /nfs/dbraw/zinc/39/67/09/1090396709.db2.gz SYPJQIVIDTWQOE-BFYDXBDKSA-N 0 3 316.470 2.483 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3csc(C)n3)[C@@H]2C1 ZINC001084699245 1090397503 /nfs/dbraw/zinc/39/75/03/1090397503.db2.gz CWSVCGCDEWNGFR-GDBMZVCRSA-N 0 3 319.474 2.493 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3oc(CC)nc3C)[C@@H]2C1 ZINC001084757649 1090428025 /nfs/dbraw/zinc/42/80/25/1090428025.db2.gz IBAOWJIGSRNALK-ZIAGYGMSSA-N 0 3 303.406 2.268 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC001099858962 1090557293 /nfs/dbraw/zinc/55/72/93/1090557293.db2.gz URFDNQUYQQROHD-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C[C@@H]21 ZINC001085039763 1090609187 /nfs/dbraw/zinc/60/91/87/1090609187.db2.gz OPFXZGIZOKXLPQ-VQHPVUNQSA-N 0 3 312.413 2.329 20 30 DEEDHN CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1OC ZINC001085109307 1090651778 /nfs/dbraw/zinc/65/17/78/1090651778.db2.gz WUGSFRJSOYEJOD-HZPDHXFCSA-N 0 3 315.417 2.494 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)C[C@@H](C)OC ZINC001273292965 1090727160 /nfs/dbraw/zinc/72/71/60/1090727160.db2.gz CXNLGMAZORZTDZ-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)c1cscn1 ZINC001273294614 1090748502 /nfs/dbraw/zinc/74/85/02/1090748502.db2.gz YWTCECUIQUYYGZ-UHFFFAOYSA-N 0 3 320.443 2.328 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cccc3cnccc32)C1=O ZINC001273304598 1090835850 /nfs/dbraw/zinc/83/58/50/1090835850.db2.gz OOFSYUNGCOLKHR-FQEVSTJZSA-N 0 3 319.408 2.435 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnn(CCC)c1C ZINC001273360208 1091089479 /nfs/dbraw/zinc/08/94/79/1091089479.db2.gz ISIIROSYTHYXGJ-IAGOWNOFSA-N 0 3 316.449 2.353 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)C#CC(C)C ZINC001273364078 1091095554 /nfs/dbraw/zinc/09/55/54/1091095554.db2.gz WGARHGBJKXEGAK-UHFFFAOYSA-N 0 3 315.392 2.295 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc3[nH]cnc32)C1=O ZINC001273380752 1091116746 /nfs/dbraw/zinc/11/67/46/1091116746.db2.gz NYSAWKZHZDXFEG-GOSISDBHSA-N 0 3 310.401 2.316 20 30 DEEDHN CC#CCCCC(=O)NCC[C@H](C)N[C@@H](C)c1cnccn1 ZINC001274772153 1091406198 /nfs/dbraw/zinc/40/61/98/1091406198.db2.gz NPHVMNBMXFRWFT-GJZGRUSLSA-N 0 3 302.422 2.216 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCC(C)=O)CC[C@H]1C(F)(F)F ZINC001279172562 1091486060 /nfs/dbraw/zinc/48/60/60/1091486060.db2.gz LWFDHFWANIRKSE-CHWSQXEVSA-N 0 3 320.355 2.301 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001274958533 1091491768 /nfs/dbraw/zinc/49/17/68/1091491768.db2.gz GMVUSGZNWLHGJZ-GASCZTMLSA-N 0 3 322.840 2.178 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C)CCCCC1 ZINC001275029998 1091519734 /nfs/dbraw/zinc/51/97/34/1091519734.db2.gz LDLXKDFLEBQTHE-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@H](C)O ZINC001275071629 1091540528 /nfs/dbraw/zinc/54/05/28/1091540528.db2.gz FTTKYLYQEAHLLL-FDQGKXFDSA-N 0 3 302.418 2.095 20 30 DEEDHN C#Cc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1 ZINC001276096039 1091545617 /nfs/dbraw/zinc/54/56/17/1091545617.db2.gz AYFCNPDYMSEYCX-UXHICEINSA-N 0 3 310.441 2.496 20 30 DEEDHN CCOCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001275347557 1091681395 /nfs/dbraw/zinc/68/13/95/1091681395.db2.gz IOWIHJNOOWQFMT-KBPBESRZSA-N 0 3 322.836 2.211 20 30 DEEDHN N#CCCCN1CC[C@@]2(CCCN2C[C@@H]2CCC=CO2)C1=O ZINC001273443554 1091699445 /nfs/dbraw/zinc/69/94/45/1091699445.db2.gz MNRUJZPPQDNRTC-RDJZCZTQSA-N 0 3 303.406 2.050 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2cnccc2n1 ZINC001276245418 1091736185 /nfs/dbraw/zinc/73/61/85/1091736185.db2.gz JJDUYAUVUPVQGJ-UHFFFAOYSA-N 0 3 318.808 2.434 20 30 DEEDHN C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001275503294 1091812818 /nfs/dbraw/zinc/81/28/18/1091812818.db2.gz PWMWROKUYIZKJT-RYUDHWBXSA-N 0 3 314.389 2.008 20 30 DEEDHN C[C@H](CN(C)CCOCc1ccccc1)NC(=O)C#CC1CC1 ZINC001275551576 1091853847 /nfs/dbraw/zinc/85/38/47/1091853847.db2.gz IVEHOBJFJQFEIU-MRXNPFEDSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N([C@@H](C)C(=O)OCC)C2 ZINC001273486807 1091877440 /nfs/dbraw/zinc/87/74/40/1091877440.db2.gz OHOYYPKCKBRKHP-MAUKXSAKSA-N 0 3 322.449 2.361 20 30 DEEDHN C=CCCCCN1CCC[C@@]12CCN(Cc1nc(C)no1)C2=O ZINC001273500905 1091886339 /nfs/dbraw/zinc/88/63/39/1091886339.db2.gz NQNBZXPADRBCHF-KRWDZBQOSA-N 0 3 318.421 2.301 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001273531333 1091905372 /nfs/dbraw/zinc/90/53/72/1091905372.db2.gz ZBJCCZNBWWTPPP-CQSZACIVSA-N 0 3 318.465 2.324 20 30 DEEDHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(C#N)c1 ZINC001275617341 1091914392 /nfs/dbraw/zinc/91/43/92/1091914392.db2.gz WCNPMWKBZMMHME-OALUTQOASA-N 0 3 321.428 2.439 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccn(C)c2C)CC1 ZINC000948754024 1091917147 /nfs/dbraw/zinc/91/71/47/1091917147.db2.gz RZJCQYKIKWHKBC-MRXNPFEDSA-N 0 3 301.434 2.283 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1ccc(C)c(C)c1 ZINC001273591135 1091940198 /nfs/dbraw/zinc/94/01/98/1091940198.db2.gz FSYCWSZKPYDKQP-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000948861012 1091969940 /nfs/dbraw/zinc/96/99/40/1091969940.db2.gz ISWRDQHUZDGWLA-XJKSGUPXSA-N 0 3 316.449 2.076 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000948890257 1091983190 /nfs/dbraw/zinc/98/31/90/1091983190.db2.gz PLMWLIZVTBQSHH-KRWDZBQOSA-N 0 3 310.401 2.315 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1coc(C)c1)CCO2 ZINC000949080823 1092045868 /nfs/dbraw/zinc/04/58/68/1092045868.db2.gz LDLDIRBHNXLGEZ-UHFFFAOYSA-N 0 3 304.390 2.081 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2CCC(=O)OC(C)(C)C ZINC001273789231 1092049827 /nfs/dbraw/zinc/04/98/27/1092049827.db2.gz RICCFXKOIVVOOP-HUUCEWRRSA-N 0 3 322.449 2.360 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1occ2c1CCC2 ZINC001275888098 1092273705 /nfs/dbraw/zinc/27/37/05/1092273705.db2.gz UHIHKORKENHODS-CYBMUJFWSA-N 0 3 306.406 2.021 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCN(C(=O)C=C1CCC1)C2 ZINC001273831805 1092274639 /nfs/dbraw/zinc/27/46/39/1092274639.db2.gz CNQQXVPATOZZFL-LJQANCHMSA-N 0 3 316.445 2.061 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001488638744 1092650871 /nfs/dbraw/zinc/65/08/71/1092650871.db2.gz WEGGEQHTDDQYQY-ZDUSSCGKSA-N 0 3 309.360 2.472 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001488764718 1092739686 /nfs/dbraw/zinc/73/96/86/1092739686.db2.gz XMESMPFLCDBXFA-FZNQNYSPSA-N 0 3 302.422 2.126 20 30 DEEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1ccoc1 ZINC001488807742 1092758044 /nfs/dbraw/zinc/75/80/44/1092758044.db2.gz DELOZEMYLIUDQR-SAABIXHNSA-N 0 3 308.381 2.429 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC001489274910 1093013559 /nfs/dbraw/zinc/01/35/59/1093013559.db2.gz KBRQPODJTWELKV-CVEARBPZSA-N 0 3 317.433 2.094 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc(C2CC2)on1)C1CC1 ZINC001490381544 1093335528 /nfs/dbraw/zinc/33/55/28/1093335528.db2.gz XVLFYYWXPJAFAL-UHFFFAOYSA-N 0 3 301.390 2.160 20 30 DEEDHN CO[C@H](CN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1)C1CCC1 ZINC001490437213 1093382480 /nfs/dbraw/zinc/38/24/80/1093382480.db2.gz QHFCMFJHMQPJNF-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001490473472 1093386447 /nfs/dbraw/zinc/38/64/47/1093386447.db2.gz NPCPMMATOOSJEX-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN Cc1cncc(CN2CCC3(C[C@@H]3NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001490587774 1093433052 /nfs/dbraw/zinc/43/30/52/1093433052.db2.gz OCCRIMVUUXLVOY-HOCLYGCPSA-N 0 3 312.417 2.020 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC001252486338 1093565863 /nfs/dbraw/zinc/56/58/63/1093565863.db2.gz XEWQHYYWNBUTBE-ZDUSSCGKSA-N 0 3 307.287 2.498 20 30 DEEDHN N#CCCCCN1CCCC[C@@]12CC(=O)N(Cc1cnoc1)C2 ZINC001274042361 1093779172 /nfs/dbraw/zinc/77/91/72/1093779172.db2.gz DXWICBLDXZFUON-KRWDZBQOSA-N 0 3 316.405 2.325 20 30 DEEDHN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2CCCCC#N ZINC001274044194 1093780273 /nfs/dbraw/zinc/78/02/73/1093780273.db2.gz ZUZRBPFKMMMBJC-PBHICJAKSA-N 0 3 305.422 2.115 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccc3nccn31)CC2 ZINC001274155460 1093825237 /nfs/dbraw/zinc/82/52/37/1093825237.db2.gz BKUYRIVBNYTTAY-INIZCTEOSA-N 0 3 324.428 2.239 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2cc(CO)ccc2F)C1 ZINC001274179604 1093837719 /nfs/dbraw/zinc/83/77/19/1093837719.db2.gz JLRJXJCWVRLOOV-SUMWQHHRSA-N 0 3 320.408 2.221 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001329549593 1148920959 /nfs/dbraw/zinc/92/09/59/1148920959.db2.gz LVCAVXVYUGNEEB-LLVKDONJSA-N 0 3 304.419 2.374 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001352282629 1151710683 /nfs/dbraw/zinc/71/06/83/1151710683.db2.gz DZHGMALZBDNZOS-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccnc(C#N)c1)CC2 ZINC001237462363 1138641695 /nfs/dbraw/zinc/64/16/95/1138641695.db2.gz IHNUNAFUGNRKNV-IBGZPJMESA-N 0 3 324.428 2.486 20 30 DEEDHN C=CCCCC(=O)NC[C@H](CO)N[C@H]1CCc2ccc(F)cc21 ZINC001278139835 1138777454 /nfs/dbraw/zinc/77/74/54/1138777454.db2.gz WEAGAMNIDRCTTM-WBVHZDCISA-N 0 3 320.408 2.236 20 30 DEEDHN COc1c(C)cnc(CN2CCC3SC(=O)C=C3C2)c1C ZINC001238172015 1138831245 /nfs/dbraw/zinc/83/12/45/1138831245.db2.gz ITYDNAKREYDKBA-AWEZNQCLSA-N 0 3 304.415 2.481 20 30 DEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)[C@H]1C ZINC001238409845 1138844209 /nfs/dbraw/zinc/84/42/09/1138844209.db2.gz PWPMJRIWRHXOLO-WFASDCNBSA-N 0 3 302.374 2.340 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@H]1C ZINC001278251694 1138858482 /nfs/dbraw/zinc/85/84/82/1138858482.db2.gz PVRMMCXAHDVAIE-HIFRSBDPSA-N 0 3 305.447 2.334 20 30 DEEDHN CCCCCCCCCOC(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239338310 1139023089 /nfs/dbraw/zinc/02/30/89/1139023089.db2.gz QCBJKFAQTMILJE-KBPBESRZSA-N 0 3 314.426 2.306 20 30 DEEDHN COc1ccnc(-c2cccc(CN3CCN(C)CC3)c2)c1C#N ZINC001240283251 1139318599 /nfs/dbraw/zinc/31/85/99/1139318599.db2.gz JQVOKYFVOFPSMR-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN Cc1nc(-c2cccc(CN3CCN(C)CC3)c2)cnc1C#N ZINC001240287863 1139319969 /nfs/dbraw/zinc/31/99/69/1139319969.db2.gz VUTYPHLBHFPZCQ-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN CCn1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cn1 ZINC001240649420 1139498156 /nfs/dbraw/zinc/49/81/56/1139498156.db2.gz NHXITDKYAHSXFN-LBPRGKRZSA-N 0 3 313.361 2.309 20 30 DEEDHN CCn1nccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240694787 1139521621 /nfs/dbraw/zinc/52/16/21/1139521621.db2.gz NMRAIGPPLMOHLI-LLVKDONJSA-N 0 3 313.361 2.309 20 30 DEEDHN C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001295800695 1139565125 /nfs/dbraw/zinc/56/51/25/1139565125.db2.gz CSIROIARVSNYTN-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001295791745 1139565293 /nfs/dbraw/zinc/56/52/93/1139565293.db2.gz KBLSTFANFZTZSD-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001296645002 1139811762 /nfs/dbraw/zinc/81/17/62/1139811762.db2.gz QKZIQDFMAOKPNQ-GOEBONIOSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2nc(C(C)C)oc2C)C1 ZINC001278370583 1140240949 /nfs/dbraw/zinc/24/09/49/1140240949.db2.gz JYWJLGFGGHRTAO-JSGCOSHPSA-N 0 3 303.406 2.322 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccccc2OC(C)C)C1 ZINC001491765469 1140301749 /nfs/dbraw/zinc/30/17/49/1140301749.db2.gz LRDGXMJQZWOFKF-HNNXBMFYSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2csc(C)n2)C1 ZINC001491797454 1140313844 /nfs/dbraw/zinc/31/38/44/1140313844.db2.gz GRSUWLPREWEQJK-AWEZNQCLSA-N 0 3 305.447 2.193 20 30 DEEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccncc1C#N ZINC001244333158 1140342627 /nfs/dbraw/zinc/34/26/27/1140342627.db2.gz OWNPDRQTWGYGDY-UHFFFAOYSA-N 0 3 309.373 2.459 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001318781445 1140413157 /nfs/dbraw/zinc/41/31/57/1140413157.db2.gz OKANRJQWWGESDA-CABCVRRESA-N 0 3 314.857 2.384 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cncc(OC(C)C)c2)C1 ZINC001278389762 1140471259 /nfs/dbraw/zinc/47/12/59/1140471259.db2.gz AXRLKFQOROKNBD-GOEBONIOSA-N 0 3 315.417 2.085 20 30 DEEDHN Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)C#CC(C)C)CC1 ZINC001318953187 1140476651 /nfs/dbraw/zinc/47/66/51/1140476651.db2.gz NZRJKTCBPOTKAO-SHTZXODSSA-N 0 3 303.406 2.159 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)COC2CCCC2)cc1 ZINC001318988106 1140486274 /nfs/dbraw/zinc/48/62/74/1140486274.db2.gz ABZKGLFQFDVILE-UHFFFAOYSA-N 0 3 314.429 2.375 20 30 DEEDHN C=CCCC(=O)NCc1ccc(CNCC#CCOC)cc1 ZINC001318989203 1140487305 /nfs/dbraw/zinc/48/73/05/1140487305.db2.gz ROLNZAQKDLPHOL-UHFFFAOYSA-N 0 3 300.402 2.008 20 30 DEEDHN O=C([C@H]1CC12CC2)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001319114255 1140506752 /nfs/dbraw/zinc/50/67/52/1140506752.db2.gz WWJYBQCOHMRWLW-QZTJIDSGSA-N 0 3 308.425 2.419 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNCc2csnc2OC)C1 ZINC001319237771 1140532579 /nfs/dbraw/zinc/53/25/79/1140532579.db2.gz HTRZBGQCNFPOQL-LBPRGKRZSA-N 0 3 323.462 2.350 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2cnc(C)s2)CCCC1 ZINC001319340141 1140552610 /nfs/dbraw/zinc/55/26/10/1140552610.db2.gz GRZNPFPWGLEPGC-UHFFFAOYSA-N 0 3 323.462 2.173 20 30 DEEDHN Cc1cccc(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)n1 ZINC001319426410 1140569389 /nfs/dbraw/zinc/56/93/89/1140569389.db2.gz XQMZEWQUNKWRFP-KRWDZBQOSA-N 0 3 321.424 2.492 20 30 DEEDHN C=CCO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC001320039883 1140815221 /nfs/dbraw/zinc/81/52/21/1140815221.db2.gz QQOACBGSMFSSLQ-CYBMUJFWSA-N 0 3 305.403 2.225 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001278416062 1140815674 /nfs/dbraw/zinc/81/56/74/1140815674.db2.gz KFSUGNMBDFPDOK-ZBFHGGJFSA-N 0 3 309.413 2.313 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)COc2cccc(Cl)c2)C1 ZINC001278417096 1140819122 /nfs/dbraw/zinc/81/91/22/1140819122.db2.gz SKLJYCYIPHZRFI-ZFWWWQNUSA-N 0 3 320.820 2.321 20 30 DEEDHN Cc1oncc1CN1CC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@H]21 ZINC001320103383 1140822750 /nfs/dbraw/zinc/82/27/50/1140822750.db2.gz KILIQZGJNMQNLH-NVXWUHKLSA-N 0 3 315.417 2.065 20 30 DEEDHN CN1CCC[C@H]2CN(C(=S)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC001245916397 1140831294 /nfs/dbraw/zinc/83/12/94/1140831294.db2.gz XYYWODHBIYXTSA-ZFWWWQNUSA-N 0 3 300.431 2.281 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc2n1CCCC2 ZINC001320529316 1140875714 /nfs/dbraw/zinc/87/57/14/1140875714.db2.gz MZSNOJDOKIJIOB-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN CC[C@H](SC)C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001321027847 1141033831 /nfs/dbraw/zinc/03/38/31/1141033831.db2.gz DBROZDQTHXVHET-APHBUQMISA-N 0 3 317.458 2.462 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cc1cccc(C)c1Cl ZINC001321157444 1141069550 /nfs/dbraw/zinc/06/95/50/1141069550.db2.gz URYXURQUVFTZII-WAYWQWQTSA-N 0 3 304.821 2.476 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cnn(C(C)C)c1Cl ZINC001321176759 1141076538 /nfs/dbraw/zinc/07/65/38/1141076538.db2.gz UQVPZVBNNPPRGY-SREVYHEPSA-N 0 3 308.813 2.016 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[C@@H](F)C2)c1 ZINC001321210200 1141086261 /nfs/dbraw/zinc/08/62/61/1141086261.db2.gz IPAOOGIINIQGGD-KBXQFXQKSA-N 0 3 315.392 2.458 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001321256529 1141101445 /nfs/dbraw/zinc/10/14/45/1141101445.db2.gz LWXOVOKNJSJCGD-SJORKVTESA-N 0 3 317.433 2.103 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001321479055 1141279087 /nfs/dbraw/zinc/27/90/87/1141279087.db2.gz NVIWHXFKVKKPCD-HUUCEWRRSA-N 0 3 304.459 2.132 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@](C)(CN[C@H](C)c2cnccn2)C1 ZINC001278484768 1141349502 /nfs/dbraw/zinc/34/95/02/1141349502.db2.gz NGLVRZLHTYNOSB-QAPCUYQASA-N 0 3 314.433 2.169 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001321822720 1141349789 /nfs/dbraw/zinc/34/97/89/1141349789.db2.gz FODUVXIGDMGVRS-AWEZNQCLSA-N 0 3 315.392 2.485 20 30 DEEDHN C=CCCNC(=S)NCC1CCN(Cc2ccncc2)CC1 ZINC001247679343 1141417366 /nfs/dbraw/zinc/41/73/66/1141417366.db2.gz JBRUMYFHEJCNSV-UHFFFAOYSA-N 0 3 318.490 2.334 20 30 DEEDHN CO[C@@H](C(=O)N(C)CCCNCc1ccccc1C#N)C(C)C ZINC001322678643 1141679578 /nfs/dbraw/zinc/67/95/78/1141679578.db2.gz SOJBHYWVZCNIIL-QGZVFWFLSA-N 0 3 317.433 2.167 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCn2cccn2)[C@@H]1C ZINC001278509491 1141826861 /nfs/dbraw/zinc/82/68/61/1141826861.db2.gz AZGCHXVITGSSMX-CVEARBPZSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C)n1ccnc1CC ZINC001323241094 1141831339 /nfs/dbraw/zinc/83/13/39/1141831339.db2.gz FGEISGYBDULYIT-GJZGRUSLSA-N 0 3 304.438 2.163 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001323259098 1141833606 /nfs/dbraw/zinc/83/36/06/1141833606.db2.gz PXHUTLVSJROMGE-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001323338182 1141843707 /nfs/dbraw/zinc/84/37/07/1141843707.db2.gz ZAIVWJDOWJIISN-GFCCVEGCSA-N 0 3 324.856 2.406 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1ccccc1OC ZINC001323353407 1141845119 /nfs/dbraw/zinc/84/51/19/1141845119.db2.gz RPSJKQSDYVFDGW-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](Cc1ccccc1)OC ZINC001323358505 1141845487 /nfs/dbraw/zinc/84/54/87/1141845487.db2.gz VBXXRNJNULYVDE-ROUUACIJSA-N 0 3 316.445 2.401 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 ZINC001323566187 1141865575 /nfs/dbraw/zinc/86/55/75/1141865575.db2.gz FHVDQGNMCYQBAO-DLBZAZTESA-N 0 3 312.413 2.060 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cc(OC)ccc3F)no2)CCCN1 ZINC001249352003 1141877542 /nfs/dbraw/zinc/87/75/42/1141877542.db2.gz RUOMLKJAPJKAMI-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN N#Cc1ccc2cc(CN3CCC(=O)N4CCC[C@H]4C3)[nH]c2c1 ZINC001249431167 1141888721 /nfs/dbraw/zinc/88/87/21/1141888721.db2.gz WQEFNIBAYACERE-INIZCTEOSA-N 0 3 308.385 2.236 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2ccn(C(C)C)n2)CC1 ZINC001324322223 1142056102 /nfs/dbraw/zinc/05/61/02/1142056102.db2.gz KETXFPIMZAJKKL-UHFFFAOYSA-N 0 3 316.449 2.001 20 30 DEEDHN N#C[C@@H]1CCCN(C[C@H](O)COc2ccc(F)cc2F)CC1 ZINC001250856215 1142337296 /nfs/dbraw/zinc/33/72/96/1142337296.db2.gz DWGSADKBMWTOQG-OCCSQVGLSA-N 0 3 310.344 2.330 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001251528126 1142444589 /nfs/dbraw/zinc/44/45/89/1142444589.db2.gz FTTFFQXKBGIZNR-IRXDYDNUSA-N 0 3 313.445 2.433 20 30 DEEDHN C#CCOC[C@@H](O)CN1CCC(Oc2ccccc2Cl)CC1 ZINC001251847726 1142520669 /nfs/dbraw/zinc/52/06/69/1142520669.db2.gz LJJQJLHOLYTSTG-AWEZNQCLSA-N 0 3 323.820 2.194 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001252129976 1142651856 /nfs/dbraw/zinc/65/18/56/1142651856.db2.gz IFAXPTMDCHROTB-CYBMUJFWSA-N 0 3 323.437 2.357 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001337077686 1142677390 /nfs/dbraw/zinc/67/73/90/1142677390.db2.gz JLRUNRCQSTZMKY-OAHLLOKOSA-N 0 3 307.344 2.261 20 30 DEEDHN C[C@H](CCN1CCN(C)CC1)Nc1cc(C#N)cc(Cl)n1 ZINC001337118293 1142688416 /nfs/dbraw/zinc/68/84/16/1142688416.db2.gz LEGFAZBFRMWHGJ-GFCCVEGCSA-N 0 3 307.829 2.045 20 30 DEEDHN C=CCOC[C@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001252471709 1142725368 /nfs/dbraw/zinc/72/53/68/1142725368.db2.gz GWXBSXOUPAMGSC-ZHALLVOQSA-N 0 3 318.461 2.145 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001252681759 1142807499 /nfs/dbraw/zinc/80/74/99/1142807499.db2.gz TUMXUZMMHNJZPT-SJLPKXTDSA-N 0 3 318.417 2.187 20 30 DEEDHN CC(C)(C)OC[C@H](O)CNC(=N)c1ccc2ccccc2n1 ZINC001253480085 1142876132 /nfs/dbraw/zinc/87/61/32/1142876132.db2.gz XBNCEBMQPRKDBP-CYBMUJFWSA-N 0 3 301.390 2.116 20 30 DEEDHN C=C[C@H](O)CN1CCN(c2cccc(Br)c2)CC1 ZINC001253578836 1142881864 /nfs/dbraw/zinc/88/18/64/1142881864.db2.gz ILSKSVREYXAQJN-AWEZNQCLSA-N 0 3 311.223 2.118 20 30 DEEDHN C=C[C@@H](O)CNC[C@]1(F)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253598941 1142883434 /nfs/dbraw/zinc/88/34/34/1142883434.db2.gz BRKRSWNKWMGQCT-CZUORRHYSA-N 0 3 316.417 2.252 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001340156126 1143280566 /nfs/dbraw/zinc/28/05/66/1143280566.db2.gz XNWVEYCZADJIIN-CQSZACIVSA-N 0 3 321.469 2.261 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001340179762 1143289320 /nfs/dbraw/zinc/28/93/20/1143289320.db2.gz ITMJJLYITFAGRV-DOMZBBRYSA-N 0 3 318.417 2.318 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC001340200983 1143300192 /nfs/dbraw/zinc/30/01/92/1143300192.db2.gz URWUDAVFUQBMFV-UKRRQHHQSA-N 0 3 317.437 2.003 20 30 DEEDHN C#C[C@H]1CCCCN1c1nnc([C@H]2CCCN(C)C2)n1CC=C ZINC001340207463 1143301533 /nfs/dbraw/zinc/30/15/33/1143301533.db2.gz QMAQGMBSGUFACP-HOTGVXAUSA-N 0 3 313.449 2.265 20 30 DEEDHN COc1ccnc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC001254678273 1143311740 /nfs/dbraw/zinc/31/17/40/1143311740.db2.gz ZYAIVORLPPLPIG-QWHCGFSZSA-N 0 3 302.378 2.021 20 30 DEEDHN C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCN(CC(C)C)CC1 ZINC001340311391 1143322298 /nfs/dbraw/zinc/32/22/98/1143322298.db2.gz BLXCGGAACCJZQG-GJZGRUSLSA-N 0 3 303.454 2.366 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(C(=O)OC)CC1 ZINC001340321264 1143324353 /nfs/dbraw/zinc/32/43/53/1143324353.db2.gz WAZUBAWXWMRRGJ-HNNXBMFYSA-N 0 3 312.454 2.476 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@]1(O)CCN(CC=C)C1)c1ccccc1 ZINC001278829102 1143372975 /nfs/dbraw/zinc/37/29/75/1143372975.db2.gz VBTBYFWZRYAGAY-PKOBYXMFSA-N 0 3 314.429 2.085 20 30 DEEDHN CC[C@@H](CC#N)N1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255167884 1143460834 /nfs/dbraw/zinc/46/08/34/1143460834.db2.gz JLKIXXPVSWBAGP-RVKKMQEKSA-N 0 3 312.417 2.449 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1ccc(OC)cc1 ZINC001340924332 1143497535 /nfs/dbraw/zinc/49/75/35/1143497535.db2.gz ATGJFSPUPYVZTF-DLBZAZTESA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC001340998308 1143520890 /nfs/dbraw/zinc/52/08/90/1143520890.db2.gz AZQIMBZRAIBEIL-CYBMUJFWSA-N 0 3 321.387 2.061 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC001341337037 1143585521 /nfs/dbraw/zinc/58/55/21/1143585521.db2.gz MNEJBVSLXQLZSI-OAHLLOKOSA-N 0 3 321.465 2.461 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC1(C(=O)N(CC)CC)CCCCC1 ZINC001341493312 1143613853 /nfs/dbraw/zinc/61/38/53/1143613853.db2.gz MRYSVDUPULNRNN-HNNXBMFYSA-N 0 3 323.481 2.358 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCCN1CCc2ccccc21 ZINC001341554531 1143628660 /nfs/dbraw/zinc/62/86/60/1143628660.db2.gz GELXCMBGNBFFER-MRXNPFEDSA-N 0 3 301.434 2.239 20 30 DEEDHN C#CCNCC(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC001341629073 1143644942 /nfs/dbraw/zinc/64/49/42/1143644942.db2.gz ANKWSJIABDNYCW-MRXNPFEDSA-N 0 3 321.852 2.062 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001341697010 1143670550 /nfs/dbraw/zinc/67/05/50/1143670550.db2.gz NFAHNPRPAXHXPG-HIFRSBDPSA-N 0 3 323.387 2.343 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC001342032038 1143774090 /nfs/dbraw/zinc/77/40/90/1143774090.db2.gz IHCHXDOOJJWULP-ZIAGYGMSSA-N 0 3 310.438 2.108 20 30 DEEDHN N#CC(C(=O)Cc1cc(C2CC2)no1)C(=O)NCc1ccccc1 ZINC001342037369 1143775004 /nfs/dbraw/zinc/77/50/04/1143775004.db2.gz QULLGFBIDVGEKG-OAHLLOKOSA-N 0 3 323.352 2.120 20 30 DEEDHN C=CCO[C@@H]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC001342227428 1143804592 /nfs/dbraw/zinc/80/45/92/1143804592.db2.gz CBJKJKRQOQUPAN-QZTJIDSGSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1noc2c1CC(C)(C)CC2 ZINC001342423323 1143816865 /nfs/dbraw/zinc/81/68/65/1143816865.db2.gz WUOAWZFAANEPAS-CYBMUJFWSA-N 0 3 305.422 2.489 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cn(C)nc1CC)C(C)C ZINC001278911859 1143828131 /nfs/dbraw/zinc/82/81/31/1143828131.db2.gz GRKGJAHLZWKPSR-UHFFFAOYSA-N 0 3 306.454 2.341 20 30 DEEDHN Cn1nc(Br)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001342670460 1143829810 /nfs/dbraw/zinc/82/98/10/1143829810.db2.gz ACYXZKFAVCQLHA-SSDOTTSWSA-N 0 3 323.125 2.207 20 30 DEEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C2CCC(C#N)CC2)C1 ZINC001256965430 1143876971 /nfs/dbraw/zinc/87/69/71/1143876971.db2.gz UCDFNLSWLUKSMK-JYVUQVBGSA-N 0 3 323.437 2.029 20 30 DEEDHN CCCCOC(=O)CC[C@H](C)N[C@@H](CC(C)C)C(=O)NO ZINC001257391569 1143903947 /nfs/dbraw/zinc/90/39/47/1143903947.db2.gz PVDGSFVGPIGKHY-STQMWFEESA-N 0 3 302.415 2.008 20 30 DEEDHN CCOC(=O)CC1CCC([NH2+][C@@H](CC(C)C)C(=O)N[O-])CC1 ZINC001258029820 1143967336 /nfs/dbraw/zinc/96/73/36/1143967336.db2.gz LBJMEAYEMLVRMI-RUXDESIVSA-N 0 3 314.426 2.008 20 30 DEEDHN CCCCCCC[C@H](C)N1CCC[C@H]1C(=O)NCC(=O)OC ZINC001258049258 1143969234 /nfs/dbraw/zinc/96/92/34/1143969234.db2.gz CNWPQBJLRAKVLC-GJZGRUSLSA-N 0 3 312.454 2.489 20 30 DEEDHN C=CCC[C@H](C)n1nc(C(=O)N2CCCC2)c2c1CCNC2 ZINC001258727180 1144035650 /nfs/dbraw/zinc/03/56/50/1144035650.db2.gz FUXAAYJSFABGEI-ZDUSSCGKSA-N 0 3 302.422 2.292 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCOC23CCCCC3)CC1 ZINC001262369946 1144309861 /nfs/dbraw/zinc/30/98/61/1144309861.db2.gz SDKYLEPVZGNUKJ-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001263074805 1144353727 /nfs/dbraw/zinc/35/37/27/1144353727.db2.gz VAPHFVRKDZKCRL-AWEZNQCLSA-N 0 3 323.824 2.421 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCNC(=O)CC12CCC2 ZINC001263180959 1144360036 /nfs/dbraw/zinc/36/00/36/1144360036.db2.gz ZBLYMKLLPWOVPZ-OAHLLOKOSA-N 0 3 323.481 2.336 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCc1ccncc1 ZINC001263812723 1144399023 /nfs/dbraw/zinc/39/90/23/1144399023.db2.gz SNNAUQPWOHPOPE-DOTOQJQBSA-N 0 3 317.433 2.096 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2cc3n(n2)CCC3)C1 ZINC001263894007 1144421343 /nfs/dbraw/zinc/42/13/43/1144421343.db2.gz PXBWRTQENXCWTQ-LSDHHAIUSA-N 0 3 316.449 2.170 20 30 DEEDHN CC[C@H](C)C(=O)N1CC2(C[C@H]1C)CCN(CC#CCOC)CC2 ZINC001263934972 1144426637 /nfs/dbraw/zinc/42/66/37/1144426637.db2.gz RCOXOGKBIMLPFA-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCCOC)C2)CC1 ZINC001263935109 1144426681 /nfs/dbraw/zinc/42/66/81/1144426681.db2.gz UMSIMXYXNHXCCT-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCn1nc(C)cc1C ZINC001264184314 1144498827 /nfs/dbraw/zinc/49/88/27/1144498827.db2.gz NUOXOUMDCCINAX-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1nc(C)sc1C ZINC001264363428 1144512404 /nfs/dbraw/zinc/51/24/04/1144512404.db2.gz CQSIHNRLBNAIKV-CQSZACIVSA-N 0 3 307.463 2.411 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001264629879 1144581693 /nfs/dbraw/zinc/58/16/93/1144581693.db2.gz GCRKZYSDASSACQ-IAGOWNOFSA-N 0 3 320.477 2.428 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001264636464 1144583464 /nfs/dbraw/zinc/58/34/64/1144583464.db2.gz UIOKMCZKAMYUJZ-INIZCTEOSA-N 0 3 322.836 2.425 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)[C@H]2CC23CC3)CC(C)(C)C1 ZINC001264753955 1144607287 /nfs/dbraw/zinc/60/72/87/1144607287.db2.gz SFAZBBAHIUIQJZ-HZPDHXFCSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCOc2ccccc2C)C1 ZINC001265296746 1144686024 /nfs/dbraw/zinc/68/60/24/1144686024.db2.gz CNEYWJUVINGUFY-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001265303209 1144687964 /nfs/dbraw/zinc/68/79/64/1144687964.db2.gz CPWGKSMXCGLXNE-HOTGVXAUSA-N 0 3 306.450 2.328 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)COc2ccsc2)CC1 ZINC001265334197 1144694927 /nfs/dbraw/zinc/69/49/27/1144694927.db2.gz MBDDZIZTKUCVAI-OAHLLOKOSA-N 0 3 318.442 2.121 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1cnc(C)nc1)C1CC1 ZINC001265369680 1144699113 /nfs/dbraw/zinc/69/91/13/1144699113.db2.gz BTTNLIYZZGCBEU-FUHWJXTLSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C ZINC001265401768 1144702441 /nfs/dbraw/zinc/70/24/41/1144702441.db2.gz CYAUPWFUCBOGMA-CWRNSKLLSA-N 0 3 314.433 2.429 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(COCC)CC1 ZINC001265408693 1144702810 /nfs/dbraw/zinc/70/28/10/1144702810.db2.gz QTUSPVWWRMYAQG-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc(C)cn1 ZINC001265415866 1144703086 /nfs/dbraw/zinc/70/30/86/1144703086.db2.gz DCGNRHZLLUNABF-CALCHBBNSA-N 0 3 316.449 2.223 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCOc2cccnc2)C1 ZINC001265507492 1144707998 /nfs/dbraw/zinc/70/79/98/1144707998.db2.gz LWVMOSDQAUPYJY-HDJSIYSDSA-N 0 3 323.824 2.230 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]2CN(Cc3cnn(C)c3)CC[C@H]21 ZINC001265520352 1144708650 /nfs/dbraw/zinc/70/86/50/1144708650.db2.gz DMTBKYDZIALHOZ-IAGOWNOFSA-N 0 3 316.449 2.199 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)c1nccs1 ZINC001265563669 1144712287 /nfs/dbraw/zinc/71/22/87/1144712287.db2.gz OHQDNMFLNAGWBB-GASCZTMLSA-N 0 3 311.410 2.045 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCc2ccc(C)s2)C1 ZINC001265597405 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301.434 2.491 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-n3ccnc3)cc2)CC1 ZINC000057154527 354559028 /nfs/dbraw/zinc/55/90/28/354559028.db2.gz BFASHRVAESCDSO-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN COCCN(C)CCCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000058859530 354599513 /nfs/dbraw/zinc/59/95/13/354599513.db2.gz GKIMQJFUUUICRG-UHFFFAOYSA-N 0 3 324.812 2.301 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000066853699 354735277 /nfs/dbraw/zinc/73/52/77/354735277.db2.gz OJBQYRIWUQGRFN-KBPBESRZSA-N 0 3 303.406 2.122 20 30 DEEDHN Cn1cc(CNCCNC(=O)c2ccc(Cl)cc2)cc1C#N ZINC000276989793 213224275 /nfs/dbraw/zinc/22/42/75/213224275.db2.gz WDRYIKSJHOYWBY-UHFFFAOYSA-N 0 3 316.792 2.070 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@](C)(O)Cc2ccccc2)CC1 ZINC000073437015 354958944 /nfs/dbraw/zinc/95/89/44/354958944.db2.gz YLFLXEYOLWVCQH-LJQANCHMSA-N 0 3 316.445 2.137 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)NCC3CCC(C#N)CC3)[C@@H]2C1 ZINC000367018270 283066245 /nfs/dbraw/zinc/06/62/45/283066245.db2.gz WNGASFDABQUTBX-QDIHITRGSA-N 0 3 304.438 2.052 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(CC(F)(F)F)C2)c(F)c1 ZINC000088715763 355518102 /nfs/dbraw/zinc/51/81/02/355518102.db2.gz QJNRLISBAOZSMG-LBPRGKRZSA-N 0 3 301.287 2.424 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ccc(C#N)nn1 ZINC000092696355 355647376 /nfs/dbraw/zinc/64/73/76/355647376.db2.gz DGTQTOYWMLBORA-UHFFFAOYSA-N 0 3 322.416 2.486 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000139803291 355879420 /nfs/dbraw/zinc/87/94/20/355879420.db2.gz WHCURCIQUZYZTC-CYBMUJFWSA-N 0 3 313.401 2.069 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000139803175 355879455 /nfs/dbraw/zinc/87/94/55/355879455.db2.gz WHCURCIQUZYZTC-ZDUSSCGKSA-N 0 3 313.401 2.069 20 30 DEEDHN C=CCC[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccccc1 ZINC000180041492 356041255 /nfs/dbraw/zinc/04/12/55/356041255.db2.gz IZGXAJFRKPITTG-OAHLLOKOSA-N 0 3 301.390 2.272 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000182461181 356127358 /nfs/dbraw/zinc/12/73/58/356127358.db2.gz QRWNMXYTKBYZPI-OAHLLOKOSA-N 0 3 314.433 2.152 20 30 DEEDHN Cc1c([C@@H](C)NCCC(=O)Nc2sccc2C#N)cnn1C ZINC000183375876 356169803 /nfs/dbraw/zinc/16/98/03/356169803.db2.gz SDZUVZZCUDLBQO-SNVBAGLBSA-N 0 3 317.418 2.341 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000182857785 356149383 /nfs/dbraw/zinc/14/93/83/356149383.db2.gz FSMLVDVLNDHUHP-CYBMUJFWSA-N 0 3 306.385 2.059 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCOC1)C(C)C ZINC000193966038 356232498 /nfs/dbraw/zinc/23/24/98/356232498.db2.gz SZTDVDRJFQKEIL-IRXDYDNUSA-N 0 3 323.481 2.411 20 30 DEEDHN CC[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCS1 ZINC000222144317 356274968 /nfs/dbraw/zinc/27/49/68/356274968.db2.gz BXXPICBBERQFEQ-CABCVRRESA-N 0 3 306.431 2.125 20 30 DEEDHN COc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000321687332 356450394 /nfs/dbraw/zinc/45/03/94/356450394.db2.gz XMXXBJMXEWHOPT-INIZCTEOSA-N 0 3 312.369 2.096 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccc(F)c(F)c2)cc1 ZINC000321604955 356450554 /nfs/dbraw/zinc/45/05/54/356450554.db2.gz RSCGXTYKSJIVRV-AWEZNQCLSA-N 0 3 318.323 2.366 20 30 DEEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccnn1C ZINC000618568515 363529369 /nfs/dbraw/zinc/52/93/69/363529369.db2.gz BUKQUEVACUVPLC-ZDUSSCGKSA-N 0 3 310.405 2.006 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCCOC2CCCC2)cc1 ZINC000578759198 356868481 /nfs/dbraw/zinc/86/84/81/356868481.db2.gz XGECCTBUQYTWHN-MRXNPFEDSA-N 0 3 318.417 2.041 20 30 DEEDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(C)CCC#N ZINC000578887106 356888551 /nfs/dbraw/zinc/88/85/51/356888551.db2.gz JYGNWZNDZYUQOJ-SDDRHHMPSA-N 0 3 305.344 2.458 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578728031 356861996 /nfs/dbraw/zinc/86/19/96/356861996.db2.gz WRPNPEYNQOPICH-CJNGLKHVSA-N 0 3 301.390 2.393 20 30 DEEDHN C=CCCC[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000581006711 357116542 /nfs/dbraw/zinc/11/65/42/357116542.db2.gz MQRMWENPHDWOPF-ZDUSSCGKSA-N 0 3 307.419 2.061 20 30 DEEDHN CCCN(CCN1CCCC1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411716451 283244570 /nfs/dbraw/zinc/24/45/70/283244570.db2.gz FZYDXBYABYBTHB-SJLPKXTDSA-N 0 3 322.497 2.237 20 30 DEEDHN COc1ccccc1[C@@H](CNc1ccnc(C#N)n1)N1CCCC1 ZINC000581617725 357218292 /nfs/dbraw/zinc/21/82/92/357218292.db2.gz AXASOZIXYBEDAQ-OAHLLOKOSA-N 0 3 323.400 2.028 20 30 DEEDHN C=CCC1(CNC(=O)N(CCN(C)C)CCN(C)C)CCCC1 ZINC000581929409 357269129 /nfs/dbraw/zinc/26/91/29/357269129.db2.gz SMXAHPVBSDDJSZ-UHFFFAOYSA-N 0 3 324.513 2.258 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCCCCC#N ZINC000588165363 357399468 /nfs/dbraw/zinc/39/94/68/357399468.db2.gz AHJCNDAMTJQZKV-OAHLLOKOSA-N 0 3 307.438 2.172 20 30 DEEDHN C[C@H](C(=O)N1CC(C#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000590488657 357551069 /nfs/dbraw/zinc/55/10/69/357551069.db2.gz VOJNQBUMUFJRMR-OAHLLOKOSA-N 0 3 311.429 2.312 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000590800484 357615025 /nfs/dbraw/zinc/61/50/25/357615025.db2.gz LZEZWEDFTOCQHY-HNNXBMFYSA-N 0 3 322.412 2.480 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2ccccc2)c(F)c1 ZINC000591733946 357755442 /nfs/dbraw/zinc/75/54/42/357755442.db2.gz PGRQEVLLQXOABZ-QGZVFWFLSA-N 0 3 314.360 2.365 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2cccc(CC)c2)CC1 ZINC000592070430 357823729 /nfs/dbraw/zinc/82/37/29/357823729.db2.gz XXSITRGBINLLOV-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN Cc1ccccc1O[C@H](C)CNCc1cnc2c(C#N)cnn2c1 ZINC000592506092 357888717 /nfs/dbraw/zinc/88/87/17/357888717.db2.gz TUYLLIVHIROHEM-CQSZACIVSA-N 0 3 321.384 2.467 20 30 DEEDHN CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000592832770 357953794 /nfs/dbraw/zinc/95/37/94/357953794.db2.gz VRSCASAFPVWLDS-ZBFHGGJFSA-N 0 3 315.417 2.268 20 30 DEEDHN C=CCSCCN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000180456387 199160878 /nfs/dbraw/zinc/16/08/78/199160878.db2.gz DHHVHBAVMCVTRV-LBPRGKRZSA-N 0 3 314.476 2.165 20 30 DEEDHN C[C@@H](Cc1ccccn1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000594140220 358212979 /nfs/dbraw/zinc/21/29/79/358212979.db2.gz JGUZMYJUBMKXDC-YOEHRIQHSA-N 0 3 318.380 2.383 20 30 DEEDHN N#Cc1ccc(OCC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594201765 358222983 /nfs/dbraw/zinc/22/29/83/358222983.db2.gz RKBMPMAXNKVFKW-DLBZAZTESA-N 0 3 313.401 2.070 20 30 DEEDHN N#Cc1ccc(NCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594422359 358265404 /nfs/dbraw/zinc/26/54/04/358265404.db2.gz YOCJABKXIBGHLW-IRXDYDNUSA-N 0 3 312.417 2.103 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000594433595 358268417 /nfs/dbraw/zinc/26/84/17/358268417.db2.gz PONBFXHPFJQYPQ-KBPBESRZSA-N 0 3 317.389 2.204 20 30 DEEDHN N#Cc1ccc(CNC2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000594495734 358283066 /nfs/dbraw/zinc/28/30/66/358283066.db2.gz UVJGOAAMTSVWPA-INIZCTEOSA-N 0 3 303.381 2.040 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000594713912 358323304 /nfs/dbraw/zinc/32/33/04/358323304.db2.gz JMLOVGXSDIMMFQ-BQFCYCMXSA-N 0 3 300.402 2.367 20 30 DEEDHN CN(c1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595258593 358407949 /nfs/dbraw/zinc/40/79/49/358407949.db2.gz DDLPZCNOTMBITN-SJORKVTESA-N 0 3 314.433 2.135 20 30 DEEDHN C=CCN(CC(=O)N1CCC(C(=O)OCC)CC1)C(C)(C)C ZINC000595762678 358542844 /nfs/dbraw/zinc/54/28/44/358542844.db2.gz DKTCVKRLJGPYQR-UHFFFAOYSA-N 0 3 310.438 2.075 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618815443 363611911 /nfs/dbraw/zinc/61/19/11/363611911.db2.gz BCGAPBUUBQHJNX-WBVHZDCISA-N 0 3 312.417 2.329 20 30 DEEDHN N#Cc1cnc2c(F)ccc(F)c2c1N[C@@H]1CCN(C2CC2)C1 ZINC000596087658 358608008 /nfs/dbraw/zinc/60/80/08/358608008.db2.gz JMIBTSITULIYKL-LLVKDONJSA-N 0 3 314.339 2.455 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1nccn1-c1ccccc1 ZINC000595991748 358590497 /nfs/dbraw/zinc/59/04/97/358590497.db2.gz HHOUOCVJMAICJM-UKRRQHHQSA-N 0 3 311.389 2.071 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618842254 363614891 /nfs/dbraw/zinc/61/48/91/363614891.db2.gz KJFORIPQVAMWJY-KRWDZBQOSA-N 0 3 312.417 2.281 20 30 DEEDHN CCN1CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618850241 363616617 /nfs/dbraw/zinc/61/66/17/363616617.db2.gz HCRJKEHLECDVDJ-QGZVFWFLSA-N 0 3 312.417 2.283 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(C#N)n1 ZINC000596936201 358790640 /nfs/dbraw/zinc/79/06/40/358790640.db2.gz VUAJYUVEOAZFAT-ZDUSSCGKSA-N 0 3 301.394 2.195 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCCN(Cc2ccccc2)CC1 ZINC000598587165 359251338 /nfs/dbraw/zinc/25/13/38/359251338.db2.gz OCLNIKJHGURDOH-SFHVURJKSA-N 0 3 315.461 2.495 20 30 DEEDHN Cc1cc(C)n([C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1 ZINC000598589640 359252068 /nfs/dbraw/zinc/25/20/68/359252068.db2.gz UJRJQRXLDKDBCI-CVEARBPZSA-N 0 3 304.438 2.438 20 30 DEEDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590542 359253693 /nfs/dbraw/zinc/25/36/93/359253693.db2.gz OHFOERDCGDLZFZ-GOEBONIOSA-N 0 3 323.481 2.160 20 30 DEEDHN CC(=O)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC12CCCCC2 ZINC000598600084 359256823 /nfs/dbraw/zinc/25/68/23/359256823.db2.gz MRLKNPBMNZYHKJ-INIZCTEOSA-N 0 3 321.465 2.154 20 30 DEEDHN CC[C@@](C)(C(=O)OC)N(C[C@H](O)CC(C)(C)C#N)CC1CC1 ZINC000598622040 359264488 /nfs/dbraw/zinc/26/44/88/359264488.db2.gz KLXWISBLDZIRIO-PBHICJAKSA-N 0 3 310.438 2.341 20 30 DEEDHN COC1(C(F)(F)F)CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598623582 359265493 /nfs/dbraw/zinc/26/54/93/359265493.db2.gz YNIDXRIKQMQHIG-NSHDSACASA-N 0 3 308.344 2.330 20 30 DEEDHN COC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000598624465 359265681 /nfs/dbraw/zinc/26/56/81/359265681.db2.gz DATDMHPTKNUADM-HOCLYGCPSA-N 0 3 306.406 2.273 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H](n2cccn2)C1 ZINC000329842786 404469577 /nfs/dbraw/zinc/46/95/77/404469577.db2.gz XDAKWTMUJKGUEB-JKSUJKDBSA-N 0 3 317.437 2.061 20 30 DEEDHN [O-]C(=[NH+]C[C@@H]1CCCCN1C1CC1)N1CC[C@@H](n2cccn2)C1 ZINC000329842786 404469582 /nfs/dbraw/zinc/46/95/82/404469582.db2.gz XDAKWTMUJKGUEB-JKSUJKDBSA-N 0 3 317.437 2.061 20 30 DEEDHN Cc1ccncc1[C@@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000599360542 359476646 /nfs/dbraw/zinc/47/66/46/359476646.db2.gz CQOOCTYLCPZIFY-GDBMZVCRSA-N 0 3 311.385 2.352 20 30 DEEDHN COC(=O)CCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000599399403 359488146 /nfs/dbraw/zinc/48/81/46/359488146.db2.gz RCWJSHWCPWUMJU-UHFFFAOYSA-N 0 3 301.390 2.282 20 30 DEEDHN CCC(C#N)(CC)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000599763341 359592989 /nfs/dbraw/zinc/59/29/89/359592989.db2.gz SRYPQASGAJDCKF-ZIAGYGMSSA-N 0 3 309.479 2.355 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc4n[nH]cc43)C2)nc1 ZINC000600162588 359670585 /nfs/dbraw/zinc/67/05/85/359670585.db2.gz SBMVLJRDTALQBW-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN CC(C)CC[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600308044 359718523 /nfs/dbraw/zinc/71/85/23/359718523.db2.gz JFQSPJFWJKTNAC-SJORKVTESA-N 0 3 313.401 2.154 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncoc2C(F)(F)F)CC1 ZINC000668368780 540655411 /nfs/dbraw/zinc/65/54/11/540655411.db2.gz GORQQBDTVNPFEH-UHFFFAOYSA-N 0 3 303.284 2.074 20 30 DEEDHN C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F ZINC000272161097 209533596 /nfs/dbraw/zinc/53/35/96/209533596.db2.gz VNHIJIIJYQELJJ-DMDPSCGWSA-N 0 3 305.344 2.360 20 30 DEEDHN C[C@@H](CCC#N)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602471625 360389558 /nfs/dbraw/zinc/38/95/58/360389558.db2.gz FISLIUIGRJVHGN-QWHCGFSZSA-N 0 3 303.366 2.416 20 30 DEEDHN CN1CCN(Cc2cccc(NCc3cccc(C#N)n3)c2)CC1 ZINC000602488575 360404196 /nfs/dbraw/zinc/40/41/96/360404196.db2.gz VPWCIJJYBZAWMR-UHFFFAOYSA-N 0 3 321.428 2.313 20 30 DEEDHN CNC(=O)c1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602513324 360412235 /nfs/dbraw/zinc/41/22/35/360412235.db2.gz WDNKOISRJAHFAW-CQSZACIVSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1nnc(C)s1)C(C)C ZINC000668682559 540709271 /nfs/dbraw/zinc/70/92/71/540709271.db2.gz JUULGUMKNROHHQ-CQSZACIVSA-N 0 3 322.478 2.204 20 30 DEEDHN C[C@H](CCC#N)CN(CCN1CCOCC1)Cc1ccco1 ZINC000602685541 360496847 /nfs/dbraw/zinc/49/68/47/360496847.db2.gz ITOXPVSGFWGCMP-MRXNPFEDSA-N 0 3 305.422 2.354 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@@H]1N(C)C ZINC000603071538 360690178 /nfs/dbraw/zinc/69/01/78/360690178.db2.gz BLVLQYFZKQSHHB-UONOGXRCSA-N 0 3 322.409 2.207 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000603078312 360692124 /nfs/dbraw/zinc/69/21/24/360692124.db2.gz LZRLZHPJRIXZDM-OAHLLOKOSA-N 0 3 300.337 2.175 20 30 DEEDHN Cn1cc(CNC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N ZINC000190985650 200612950 /nfs/dbraw/zinc/61/29/50/200612950.db2.gz JQWGLMBUJMJVSM-CQSZACIVSA-N 0 3 318.421 2.386 20 30 DEEDHN N#Cc1cc2c(nc1N1CCN(c3ccncc3)CC1)CCC2 ZINC000603842562 360863459 /nfs/dbraw/zinc/86/34/59/360863459.db2.gz ADFMJCBJFJARKC-UHFFFAOYSA-N 0 3 305.385 2.164 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000604535288 360915266 /nfs/dbraw/zinc/91/52/66/360915266.db2.gz UPOWYMBGQKIVLP-NVXWUHKLSA-N 0 3 314.433 2.302 20 30 DEEDHN C=C(C)[C@H](CO)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000670092729 540915720 /nfs/dbraw/zinc/91/57/20/540915720.db2.gz NHIDZUJGZBKTOM-GBESFXJTSA-N 0 3 316.445 2.500 20 30 DEEDHN C=CCSCCNCc1cccc(NS(C)(=O)=O)c1 ZINC000609223412 361290817 /nfs/dbraw/zinc/29/08/17/361290817.db2.gz ODANXXMKGXIVDS-UHFFFAOYSA-N 0 3 300.449 2.067 20 30 DEEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C(C)C#N)CC1 ZINC000609921941 361349929 /nfs/dbraw/zinc/34/99/29/361349929.db2.gz YRIFWKSNQQTJCQ-XJKSGUPXSA-N 0 3 305.422 2.176 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccc(C#N)cc1 ZINC000610579596 361425959 /nfs/dbraw/zinc/42/59/59/361425959.db2.gz OUNOHLIUURYUPS-SJORKVTESA-N 0 3 312.417 2.055 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610714679 361450654 /nfs/dbraw/zinc/45/06/54/361450654.db2.gz XFQVHIMOWGIUTF-BBRMVZONSA-N 0 3 322.412 2.377 20 30 DEEDHN Cc1ccccc1CN1CCCN(c2ccc(C#N)nn2)CC1 ZINC000611239575 361557801 /nfs/dbraw/zinc/55/78/01/361557801.db2.gz KFEBZIDOBBGFCB-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000611204957 361547324 /nfs/dbraw/zinc/54/73/24/361547324.db2.gz CIMAYOVFUDFJOM-GJZGRUSLSA-N 0 3 307.438 2.076 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000611205293 361548255 /nfs/dbraw/zinc/54/82/55/361548255.db2.gz SNTNMOGVLYOFDF-DZGCQCFKSA-N 0 3 301.390 2.244 20 30 DEEDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000611392230 361589051 /nfs/dbraw/zinc/58/90/51/361589051.db2.gz NOTLFMLXMHXWOM-WBVHZDCISA-N 0 3 307.401 2.440 20 30 DEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000611552575 361628901 /nfs/dbraw/zinc/62/89/01/361628901.db2.gz DDOFTACCTAFCPQ-GOSISDBHSA-N 0 3 317.408 2.435 20 30 DEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000611552401 361629028 /nfs/dbraw/zinc/62/90/28/361629028.db2.gz XYXCRPCAJNEUNO-YJBOKZPZSA-N 0 3 317.408 2.435 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000611661660 361653859 /nfs/dbraw/zinc/65/38/59/361653859.db2.gz ODDZAQXBHGAHMC-CRAIPNDOSA-N 0 3 302.418 2.046 20 30 DEEDHN 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C#CCOc1ccc(CN2CC[C@H](COCCOC)C2)cc1 ZINC000093755075 402019690 /nfs/dbraw/zinc/01/96/90/402019690.db2.gz LMSSFARAKWFOIB-KRWDZBQOSA-N 0 3 303.402 2.184 20 30 DEEDHN C=CCc1cc(CNC(=O)CN(C)C(C)C)cc(OC)c1OC ZINC000051467734 402034764 /nfs/dbraw/zinc/03/47/64/402034764.db2.gz SHJAFGQBJUBKDX-UHFFFAOYSA-N 0 3 320.433 2.389 20 30 DEEDHN COc1ccc(CN2CC[C@H](CO)C2)cc1OCCCC#N ZINC000092764695 402008069 /nfs/dbraw/zinc/00/80/69/402008069.db2.gz FXQRIAIIAIMLBX-HNNXBMFYSA-N 0 3 304.390 2.192 20 30 DEEDHN N#Cc1ccc(N2CCC([NH2+]Cc3ccccc3[O-])CC2)nc1 ZINC000067010979 402149769 /nfs/dbraw/zinc/14/97/69/402149769.db2.gz NNABUKFKAZHBLW-UHFFFAOYSA-N 0 3 308.385 2.417 20 30 DEEDHN CN(C)CCOc1ccc(CNC(=O)C2(C#N)CCCC2)cc1 ZINC000101688484 402153740 /nfs/dbraw/zinc/15/37/40/402153740.db2.gz QPPKNZDDPQEXDV-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000154010252 402186774 /nfs/dbraw/zinc/18/67/74/402186774.db2.gz FYBHXMYYETVADG-GFCCVEGCSA-N 0 3 307.344 2.441 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NCCN(CC)C1CC1 ZINC000102065400 402162209 /nfs/dbraw/zinc/16/22/09/402162209.db2.gz RFYALKBLUOWVIO-UHFFFAOYSA-N 0 3 317.408 2.455 20 30 DEEDHN C#CCOc1ccccc1CNCCc1nnc2n1CCCCC2 ZINC000067697955 402168463 /nfs/dbraw/zinc/16/84/63/402168463.db2.gz KBIZXNALOQDIBQ-UHFFFAOYSA-N 0 3 324.428 2.349 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000103039251 402177150 /nfs/dbraw/zinc/17/71/50/402177150.db2.gz PAEKJEZSHZZCOP-UHFFFAOYSA-N 0 3 314.385 2.065 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 ZINC000107455382 402233737 /nfs/dbraw/zinc/23/37/37/402233737.db2.gz IQOQEFJDTVOXMB-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C#N)cn2)o1 ZINC000107574891 402235490 /nfs/dbraw/zinc/23/54/90/402235490.db2.gz GMSGKRSYPSWJHR-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1nnc2n1CCCCC2 ZINC000125632853 402242841 /nfs/dbraw/zinc/24/28/41/402242841.db2.gz NKIWDQRJPYNQRX-LBPRGKRZSA-N 0 3 324.388 2.027 20 30 DEEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000125961086 402258587 /nfs/dbraw/zinc/25/85/87/402258587.db2.gz HQFGEQOXWHXZGE-GJZGRUSLSA-N 0 3 310.438 2.075 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000105264604 402207594 /nfs/dbraw/zinc/20/75/94/402207594.db2.gz UUBIYJJERUVBII-AWEZNQCLSA-N 0 3 317.408 2.453 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1Cc1ccccc1 ZINC000176121546 402281192 /nfs/dbraw/zinc/28/11/92/402281192.db2.gz SKXHKGSELOLWAN-GDBMZVCRSA-N 0 3 317.458 2.412 20 30 DEEDHN CC(C)C(=O)NCCN(C)CCCOc1cccc(C#N)c1 ZINC000157547444 402295899 /nfs/dbraw/zinc/29/58/99/402295899.db2.gz HYFMRZIHDBBGQJ-UHFFFAOYSA-N 0 3 303.406 2.031 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000185722498 402371923 /nfs/dbraw/zinc/37/19/23/402371923.db2.gz XIFCOFCEAJHWBA-JTQLQIEISA-N 0 3 317.357 2.230 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](N(C)C)C2)c(C#N)c1C ZINC000226581908 402328817 /nfs/dbraw/zinc/32/88/17/402328817.db2.gz DPWRGSSDRQSHSM-GXTWGEPZSA-N 0 3 318.421 2.121 20 30 DEEDHN CCOCCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000159959252 402334122 /nfs/dbraw/zinc/33/41/22/402334122.db2.gz VPFUKUPGNDYINM-INIZCTEOSA-N 0 3 315.417 2.271 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(OC)c(OC)cc2F)CC1 ZINC000177410956 402399277 /nfs/dbraw/zinc/39/92/77/402399277.db2.gz WTFLHMHAGDSVLS-UHFFFAOYSA-N 0 3 322.380 2.223 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000162165497 402411963 /nfs/dbraw/zinc/41/19/63/402411963.db2.gz HQNXRZVKQCESHO-QZTJIDSGSA-N 0 3 322.412 2.309 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(CCOC)CCC2)CC1 ZINC000177994631 402450504 /nfs/dbraw/zinc/45/05/04/402450504.db2.gz YOOKHRQNBNHWQM-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)CN2CCCC2=O)cc1 ZINC000178492839 402504156 /nfs/dbraw/zinc/50/41/56/402504156.db2.gz FZUORYWJTQGTAH-HUUCEWRRSA-N 0 3 300.402 2.360 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000178509665 402505473 /nfs/dbraw/zinc/50/54/73/402505473.db2.gz BUPXGNFPHAMNLA-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C#N)cc1 ZINC000248116955 402582884 /nfs/dbraw/zinc/58/28/84/402582884.db2.gz SNQVEOQRZKYBFZ-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000171714330 402613970 /nfs/dbraw/zinc/61/39/70/402613970.db2.gz KRUBNSCATVQLBC-UHFFFAOYSA-N 0 3 303.362 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000171725048 402614795 /nfs/dbraw/zinc/61/47/95/402614795.db2.gz WAQYUIMSKJUDND-BQYQJAHWSA-N 0 3 315.373 2.375 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000171725134 402615076 /nfs/dbraw/zinc/61/50/76/402615076.db2.gz NOSJHMIXIRZPKN-UHFFFAOYSA-N 0 3 308.809 2.485 20 30 DEEDHN Cc1cc(C)cc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000180866324 402628268 /nfs/dbraw/zinc/62/82/68/402628268.db2.gz DXVOXPMRUWSWIS-MGPWXQLLSA-N 0 3 313.401 2.480 20 30 DEEDHN Cn1cc(CNCc2ccccc2CN2CCOCC2)cc1C#N ZINC000190698001 402618812 /nfs/dbraw/zinc/61/88/12/402618812.db2.gz UTCNHOIRNOGCRV-UHFFFAOYSA-N 0 3 324.428 2.019 20 30 DEEDHN C=C(C)CN(C)C[C@H](O)COc1cccc(C(=O)OCC)c1 ZINC000181273553 402639870 /nfs/dbraw/zinc/63/98/70/402639870.db2.gz FKORUPRBDPOSMJ-HNNXBMFYSA-N 0 3 307.390 2.111 20 30 DEEDHN CN(C)Cc1cc(CNCc2cc(C#N)n(C)c2)ccc1F ZINC000191075151 402640160 /nfs/dbraw/zinc/64/01/60/402640160.db2.gz CZJZZTHUKANKIW-UHFFFAOYSA-N 0 3 300.381 2.387 20 30 DEEDHN Cn1cc(CNCc2ccc(N3CCOC3=O)cc2)cc1C#N ZINC000191583550 402679769 /nfs/dbraw/zinc/67/97/69/402679769.db2.gz KZRPBGVIQDGPGF-UHFFFAOYSA-N 0 3 310.357 2.143 20 30 DEEDHN COC(=O)[C@H]1CCN(CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000191810727 402694195 /nfs/dbraw/zinc/69/41/95/402694195.db2.gz CXCKXCFCPVNBBK-PBHICJAKSA-N 0 3 316.401 2.458 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccon1 ZINC000183613238 402781619 /nfs/dbraw/zinc/78/16/19/402781619.db2.gz CHSAWKSXXRXENG-UHFFFAOYSA-N 0 3 313.361 2.142 20 30 DEEDHN C=CCCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000263741886 402798165 /nfs/dbraw/zinc/79/81/65/402798165.db2.gz DXOYUWIJCZHCAL-UHFFFAOYSA-N 0 3 301.434 2.016 20 30 DEEDHN CC1CCN(CCNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000175475698 402809497 /nfs/dbraw/zinc/80/94/97/402809497.db2.gz BFBUBAHPYXXUQD-UHFFFAOYSA-N 0 3 318.396 2.228 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](COC)c2ccc(C)o2)CC1 ZINC000175477320 402810350 /nfs/dbraw/zinc/81/03/50/402810350.db2.gz MIRICWXOHMMDTE-HNNXBMFYSA-N 0 3 321.421 2.225 20 30 DEEDHN COCCN(C)CCCNC(=O)c1cccc(SCC#N)c1 ZINC000176010602 402847706 /nfs/dbraw/zinc/84/77/06/402847706.db2.gz KKRAWMOEPQDSMZ-UHFFFAOYSA-N 0 3 321.446 2.000 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000278652355 402869549 /nfs/dbraw/zinc/86/95/49/402869549.db2.gz IECYUCVMTUYUQR-UKRRQHHQSA-N 0 3 307.419 2.230 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000264433905 402877988 /nfs/dbraw/zinc/87/79/88/402877988.db2.gz VBESYPXAFWROPB-AWEZNQCLSA-N 0 3 317.433 2.273 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOc2ccccc2F)CC1 ZINC000264449361 402879574 /nfs/dbraw/zinc/87/95/74/402879574.db2.gz CBPREGZHSHNDEM-UHFFFAOYSA-N 0 3 306.381 2.361 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000278932340 402887318 /nfs/dbraw/zinc/88/73/18/402887318.db2.gz TUFOCOAFKJYJOA-IBGZPJMESA-N 0 3 316.445 2.403 20 30 DEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCCCN1CCCCC1 ZINC000265116412 402895492 /nfs/dbraw/zinc/89/54/92/402895492.db2.gz IQUICHHCZRJCEQ-UHFFFAOYSA-N 0 3 321.446 2.021 20 30 DEEDHN C[C@@]1(NCC(=O)Nc2sccc2C#N)CCO[C@H]1C1CC1 ZINC000273042630 402965296 /nfs/dbraw/zinc/96/52/96/402965296.db2.gz IVZGQTKNOYMLAP-DZGCQCFKSA-N 0 3 305.403 2.105 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)C(=O)Nc1ccccc1C#N ZINC000279247220 402921787 /nfs/dbraw/zinc/92/17/87/402921787.db2.gz KVAPBSDXSMWKNF-GZBFAFLISA-N 0 3 301.390 2.026 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)C[C@H]1N(C)C ZINC000272321188 402923323 /nfs/dbraw/zinc/92/33/23/402923323.db2.gz IKNZZHTXGONVJQ-HUUCEWRRSA-N 0 3 318.446 2.262 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCCCC#N)CN1Cc1ccccc1 ZINC000273068260 402967965 /nfs/dbraw/zinc/96/79/65/402967965.db2.gz IXGFCRDWNBFXEY-GOEBONIOSA-N 0 3 300.406 2.252 20 30 DEEDHN COC[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272385383 402930304 /nfs/dbraw/zinc/93/03/04/402930304.db2.gz WRKMDDCNKGMULH-NVXWUHKLSA-N 0 3 313.401 2.022 20 30 DEEDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279370132 402935700 /nfs/dbraw/zinc/93/57/00/402935700.db2.gz XBVBXASLZGNEDI-CJNGLKHVSA-N 0 3 323.400 2.461 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)NCCN(C)CCCOC ZINC000266861691 402995245 /nfs/dbraw/zinc/99/52/45/402995245.db2.gz ZGDZQUYEVAIOJP-UHFFFAOYSA-N 0 3 319.449 2.353 20 30 DEEDHN COCCN(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280578617 403015211 /nfs/dbraw/zinc/01/52/11/403015211.db2.gz RVHMJEWZVZSJDI-UHFFFAOYSA-N 0 3 317.433 2.138 20 30 DEEDHN N#CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000273654639 403023381 /nfs/dbraw/zinc/02/33/81/403023381.db2.gz ZLLNRYVVVJKSLK-MRXNPFEDSA-N 0 3 300.406 2.426 20 30 DEEDHN CCN1CCN(C[C@@H](C)CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000267214779 403025389 /nfs/dbraw/zinc/02/53/89/403025389.db2.gz MLZFEAJHMZXCLY-ZDUSSCGKSA-N 0 3 321.856 2.292 20 30 DEEDHN N#CCCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000273232418 402985552 /nfs/dbraw/zinc/98/55/52/402985552.db2.gz WIAYDMODWGWZMF-UHFFFAOYSA-N 0 3 314.433 2.296 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCOC1)C(C)C ZINC000267305557 403034907 /nfs/dbraw/zinc/03/49/07/403034907.db2.gz GWSSPPRBSQRERC-IAGOWNOFSA-N 0 3 323.481 2.363 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000281165954 403059814 /nfs/dbraw/zinc/05/98/14/403059814.db2.gz BRCNTEJWMKVAAX-VXGBXAGGSA-N 0 3 321.446 2.459 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)C[C@@](C)(O)CC)C1=O ZINC000281399143 403067632 /nfs/dbraw/zinc/06/76/32/403067632.db2.gz QHKSWFMNLQUVQA-HKUYNNGSSA-N 0 3 316.445 2.437 20 30 DEEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274631272 403073169 /nfs/dbraw/zinc/07/31/69/403073169.db2.gz OZULTTQEFIETHX-YDHLFZDLSA-N 0 3 321.446 2.280 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCO[C@@H]2C(=C)C)CC1 ZINC000281848818 403097538 /nfs/dbraw/zinc/09/75/38/403097538.db2.gz RDIQLNZLZZCXJI-NVXWUHKLSA-N 0 3 321.465 2.307 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000269731990 403161936 /nfs/dbraw/zinc/16/19/36/403161936.db2.gz VFBHUUCVNULJSJ-CJNGLKHVSA-N 0 3 324.428 2.472 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@](C)(O)CCc2ccccc2)CC1 ZINC000283057462 403167393 /nfs/dbraw/zinc/16/73/93/403167393.db2.gz CCLPVEKZDIRKRA-IBGZPJMESA-N 0 3 316.445 2.137 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)c(OC)c1)CC2 ZINC000282260451 403137397 /nfs/dbraw/zinc/13/73/97/403137397.db2.gz JXPUQZMJQODGFS-HNNXBMFYSA-N 0 3 314.385 2.342 20 30 DEEDHN C#C[C@@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)C(C)C ZINC000282369588 403147522 /nfs/dbraw/zinc/14/75/22/403147522.db2.gz WTXAMOCXELDXIL-QGZVFWFLSA-N 0 3 317.433 2.084 20 30 DEEDHN C[C@@H]1CN(CCCNC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000277297610 403202380 /nfs/dbraw/zinc/20/23/80/403202380.db2.gz UZKAXTCZLCSCLT-CQSZACIVSA-N 0 3 316.405 2.181 20 30 DEEDHN Cn1cc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)cc1C#N ZINC000284957814 403274469 /nfs/dbraw/zinc/27/44/69/403274469.db2.gz HUPKKPDTYWWMAJ-IBGZPJMESA-N 0 3 308.429 2.255 20 30 DEEDHN CC(C)N1CCN(CCCSc2ccc(C#N)cn2)CC1 ZINC000298366523 403366750 /nfs/dbraw/zinc/36/67/50/403366750.db2.gz PDSFOKKONWJSMH-UHFFFAOYSA-N 0 3 304.463 2.461 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292143095 403304283 /nfs/dbraw/zinc/30/42/83/403304283.db2.gz MSSGCUVKLTXQLJ-ZWKOTPCHSA-N 0 3 300.402 2.340 20 30 DEEDHN C=CCC[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccco1 ZINC000285492435 403310059 /nfs/dbraw/zinc/31/00/59/403310059.db2.gz AJSRLJJOXUUHTB-KBPBESRZSA-N 0 3 312.435 2.158 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCN(C)CC1 ZINC000298061537 403312272 /nfs/dbraw/zinc/31/22/72/403312272.db2.gz BFYIOENJLPXBSH-OAHLLOKOSA-N 0 3 321.490 2.289 20 30 DEEDHN CS[C@@H]1CN(c2nc(C)c(C#N)cc2Cl)C[C@@H]1N(C)C ZINC000292501206 403364077 /nfs/dbraw/zinc/36/40/77/403364077.db2.gz FTDOVWXYRZPESX-QWHCGFSZSA-N 0 3 310.854 2.397 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000342740203 403330003 /nfs/dbraw/zinc/33/00/03/403330003.db2.gz RANCYFWEIDYFMP-AWEZNQCLSA-N 0 3 318.417 2.013 20 30 DEEDHN CN1CCC[C@]2(CCN(c3c(C#N)nnc4ccccc43)C2)C1 ZINC000292809941 403378989 /nfs/dbraw/zinc/37/89/89/403378989.db2.gz OAVXPSTTZUHLLV-SFHVURJKSA-N 0 3 307.401 2.424 20 30 DEEDHN CO[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000293165438 403405281 /nfs/dbraw/zinc/40/52/81/403405281.db2.gz VXLALURVYDXZTK-QGZVFWFLSA-N 0 3 310.401 2.473 20 30 DEEDHN CC(C#N)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000331547554 403413436 /nfs/dbraw/zinc/41/34/36/403413436.db2.gz MDPFNCFQVGEPFX-CMPLNLGQSA-N 0 3 301.371 2.356 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331273534 403367203 /nfs/dbraw/zinc/36/72/03/403367203.db2.gz CTRPYZHPDCNTRZ-SQWLQELKSA-N 0 3 318.417 2.427 20 30 DEEDHN CC(C#N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000345765912 403475461 /nfs/dbraw/zinc/47/54/61/403475461.db2.gz PQPKPUVIYCTDCD-AWEZNQCLSA-N 0 3 305.422 2.177 20 30 DEEDHN C=CCN1CCC(NC(=O)c2noc3c2C[C@H](C)CC3)CC1 ZINC000345897716 403524443 /nfs/dbraw/zinc/52/44/43/403524443.db2.gz AAKODYRGGUXSSZ-GFCCVEGCSA-N 0 3 303.406 2.180 20 30 DEEDHN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C#N)c(C)c1 ZINC000345899996 403525401 /nfs/dbraw/zinc/52/54/01/403525401.db2.gz NFOGKQREAVMMKR-JSGCOSHPSA-N 0 3 317.414 2.303 20 30 DEEDHN CC[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 ZINC000332147223 403497157 /nfs/dbraw/zinc/49/71/57/403497157.db2.gz PDANWWVEJVGRDD-ULQDDVLXSA-N 0 3 313.401 2.211 20 30 DEEDHN C#CCNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000287088923 403553806 /nfs/dbraw/zinc/55/38/06/403553806.db2.gz KZGUEBQUIVDIJT-MRXNPFEDSA-N 0 3 303.406 2.009 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000293562923 403505204 /nfs/dbraw/zinc/50/52/04/403505204.db2.gz MHWPMENWDGNHNO-VQTJNVASSA-N 0 3 322.408 2.190 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC1(C)C ZINC000299102135 403520876 /nfs/dbraw/zinc/52/08/76/403520876.db2.gz XVLXEYOPXVHKHP-MRXNPFEDSA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1cccc(C)c1)CC(C)C ZINC000346736649 403600317 /nfs/dbraw/zinc/60/03/17/403600317.db2.gz MIFYNCSKIBMRGM-UHFFFAOYSA-N 0 3 317.433 2.465 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C2CCOCC2)CC1 ZINC000346764406 403601232 /nfs/dbraw/zinc/60/12/32/403601232.db2.gz DZHRNWLTWPMJLG-KRWDZBQOSA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000299668883 403564944 /nfs/dbraw/zinc/56/49/44/403564944.db2.gz MBODTRAQXFHAQD-STQMWFEESA-N 0 3 309.435 2.280 20 30 DEEDHN C=CCOc1ccc(CNC(=O)NCCN(C)C2CC2)cc1 ZINC000287309540 403572339 /nfs/dbraw/zinc/57/23/39/403572339.db2.gz ZXNGZKUNXCGLCD-UHFFFAOYSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCC(C)(C)CC(=O)OCC)C1=O ZINC000347070765 403613997 /nfs/dbraw/zinc/61/39/97/403613997.db2.gz DDSCFTJQRVBZSE-CQSZACIVSA-N 0 3 310.438 2.075 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000293962789 403610773 /nfs/dbraw/zinc/61/07/73/403610773.db2.gz LDNUYPAKAFAKLM-OLZOCXBDSA-N 0 3 324.346 2.279 20 30 DEEDHN C=C(C)CN1CCC(Nc2c(C)c(C)nc3ncnn32)CC1 ZINC000301360120 403619734 /nfs/dbraw/zinc/61/97/34/403619734.db2.gz OCPZGAHEVJDEIE-UHFFFAOYSA-N 0 3 300.410 2.194 20 30 DEEDHN CC(C#N)C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000347142094 403618106 /nfs/dbraw/zinc/61/81/06/403618106.db2.gz VXIDLGHECVMELA-NEPJUHHUSA-N 0 3 307.344 2.330 20 30 DEEDHN CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000343570832 403643758 /nfs/dbraw/zinc/64/37/58/403643758.db2.gz AMYHPYAFWCYDLD-GDBMZVCRSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCN(CC=C)C(=O)CN(CC)CCN1CCCCCC1 ZINC000347313073 403659715 /nfs/dbraw/zinc/65/97/15/403659715.db2.gz NSFRQNWJWXEMOM-UHFFFAOYSA-N 0 3 307.482 2.385 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001106068685 782004787 /nfs/dbraw/zinc/00/47/87/782004787.db2.gz LXYHRCGQNPOQRC-ZIAGYGMSSA-N 0 3 305.447 2.131 20 30 DEEDHN C=CCN(CCOCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343630833 403671091 /nfs/dbraw/zinc/67/10/91/403671091.db2.gz AFMXAINMAKCECN-CQSZACIVSA-N 0 3 301.394 2.248 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000287930194 403693205 /nfs/dbraw/zinc/69/32/05/403693205.db2.gz HCGPQSRMSMHAFD-MAUKXSAKSA-N 0 3 311.429 2.314 20 30 DEEDHN C#CCCCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000288034190 403713273 /nfs/dbraw/zinc/71/32/73/403713273.db2.gz LPCANQBGJGIKNX-QGZVFWFLSA-N 0 3 317.433 2.401 20 30 DEEDHN COc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1C#N ZINC000295081603 403753860 /nfs/dbraw/zinc/75/38/60/403753860.db2.gz SALBNBNSMFRROD-UHFFFAOYSA-N 0 3 315.417 2.448 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000288505152 403756889 /nfs/dbraw/zinc/75/68/89/403756889.db2.gz RQDPKJPIHSCEIU-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN C[C@@H](O)[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000303994839 403760876 /nfs/dbraw/zinc/76/08/76/403760876.db2.gz OSUGDSGQPTXQSA-YPMHNXCESA-N 0 3 307.419 2.184 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)=O)cc2F)CC1 ZINC000347580828 403760988 /nfs/dbraw/zinc/76/09/88/403760988.db2.gz BAYVEQVSTWVUGJ-UHFFFAOYSA-N 0 3 304.365 2.409 20 30 DEEDHN N#CC(C(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccncn1 ZINC000354459588 403812345 /nfs/dbraw/zinc/81/23/45/403812345.db2.gz DHTNLJONDNQHHY-AWEZNQCLSA-N 0 3 321.340 2.251 20 30 DEEDHN COc1ccc(CN2CCC[C@@H](CCNC(C)=O)C2)cc1C#N ZINC000347676067 403801352 /nfs/dbraw/zinc/80/13/52/403801352.db2.gz MIKNWHFASFWTAU-HNNXBMFYSA-N 0 3 315.417 2.305 20 30 DEEDHN CC(=O)NCC[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000347677463 403802382 /nfs/dbraw/zinc/80/23/82/403802382.db2.gz MTNLSJMFCHGHRO-INIZCTEOSA-N 0 3 315.417 2.175 20 30 DEEDHN C[C@H]1C[C@@H](NCCNC(=O)C2N=CC=CC2=O)c2ccccc21 ZINC000289194659 403868916 /nfs/dbraw/zinc/86/89/16/403868916.db2.gz JEFJVCKQFKYSFW-ZQFZRKHZSA-N 0 3 311.385 2.351 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)C(C)C ZINC000289351150 403923283 /nfs/dbraw/zinc/92/32/83/403923283.db2.gz JCAIROXRUYWIJA-CJNGLKHVSA-N 0 3 316.401 2.438 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CCOC)C[C@@H]1CC=CCC1 ZINC000362263273 403940070 /nfs/dbraw/zinc/94/00/70/403940070.db2.gz RRYCDGRMSYKKKS-DLBZAZTESA-N 0 3 321.465 2.299 20 30 DEEDHN C=CCOc1cccc(CN(C)CCCN2CCN(C)CC2)c1 ZINC000289393964 403942284 /nfs/dbraw/zinc/94/22/84/403942284.db2.gz FMFMWQAJPSJDKQ-UHFFFAOYSA-N 0 3 317.477 2.321 20 30 DEEDHN CC[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)OC ZINC000289423414 403957805 /nfs/dbraw/zinc/95/78/05/403957805.db2.gz BUQYKNIZKIYPOF-MRXNPFEDSA-N 0 3 313.405 2.373 20 30 DEEDHN C#Cc1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000289882418 404006404 /nfs/dbraw/zinc/00/64/04/404006404.db2.gz WEAALSLRZFVENL-SFHVURJKSA-N 0 3 311.429 2.438 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000337438014 404024983 /nfs/dbraw/zinc/02/49/83/404024983.db2.gz IQNZXEKNJMTRKF-XJKSGUPXSA-N 0 3 308.385 2.452 20 30 DEEDHN C=CCOCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000348702571 404094231 /nfs/dbraw/zinc/09/42/31/404094231.db2.gz MAFLSYLFUZDQNB-UHFFFAOYSA-N 0 3 317.433 2.358 20 30 DEEDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000411965456 404036771 /nfs/dbraw/zinc/03/67/71/404036771.db2.gz FKNFIYSDPIAEIO-SJKOYZFVSA-N 0 3 301.390 2.290 20 30 DEEDHN N#Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000348090473 404037878 /nfs/dbraw/zinc/03/78/78/404037878.db2.gz UKZTZNZJLFMOCA-GOSISDBHSA-N 0 3 314.348 2.429 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348139830 404044931 /nfs/dbraw/zinc/04/49/31/404044931.db2.gz WETISCKCBBLMQX-SGMGOOAPSA-N 0 3 319.405 2.500 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000348139830 404044936 /nfs/dbraw/zinc/04/49/36/404044936.db2.gz WETISCKCBBLMQX-SGMGOOAPSA-N 0 3 319.405 2.500 20 30 DEEDHN C=CCN1CC[C@H](N[C@H]2C[C@@H](OCC)C23CCCCC3)C1=O ZINC000348153665 404045173 /nfs/dbraw/zinc/04/51/73/404045173.db2.gz DHZZSDJXQRLJJV-HRCADAONSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CC[C@H](CO)CNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000344326144 404059413 /nfs/dbraw/zinc/05/94/13/404059413.db2.gz NKPRJWKRVLZKDR-ZDUSSCGKSA-N 0 3 309.479 2.184 20 30 DEEDHN C[C@@H]1[C@@H](CO)CCCN1CCC(=O)Nc1sccc1C#N ZINC000412088467 404124442 /nfs/dbraw/zinc/12/44/42/404124442.db2.gz PLPDGVFZTAEEQK-DGCLKSJQSA-N 0 3 307.419 2.041 20 30 DEEDHN CCN1CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000328636431 404120189 /nfs/dbraw/zinc/12/01/89/404120189.db2.gz AIDIFLBKMNUACU-OAHLLOKOSA-N 0 3 319.453 2.011 20 30 DEEDHN C[C@@](Cc1ccccc1)(NCC(=O)NCC#N)c1ccccc1 ZINC000412099579 404133671 /nfs/dbraw/zinc/13/36/71/404133671.db2.gz QKAPGJQCAZTZAV-IBGZPJMESA-N 0 3 307.397 2.374 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](CC2CC2)C1=O)C(C)C ZINC000349233069 404137602 /nfs/dbraw/zinc/13/76/02/404137602.db2.gz PFGLQWRCCJJSNY-HZPDHXFCSA-N 0 3 319.449 2.406 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000290423389 404162963 /nfs/dbraw/zinc/16/29/63/404162963.db2.gz KUYHVLUUGPTHNL-QGZVFWFLSA-N 0 3 312.413 2.143 20 30 DEEDHN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000328951113 404180719 /nfs/dbraw/zinc/18/07/19/404180719.db2.gz LMIMDKQTSPXESL-APHBMKBZSA-N 0 3 318.421 2.081 20 30 DEEDHN CC[C@H](C)[C@@](C)(O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350003116 404291490 /nfs/dbraw/zinc/29/14/90/404291490.db2.gz LSDQCYXBVZBCFU-XCRHUMRWSA-N 0 3 313.401 2.154 20 30 DEEDHN C[C@H](CC(=O)N1CC[C@@]2(CCN(C)C2)C1)NC(=O)C1CCCC1 ZINC000329230091 404273025 /nfs/dbraw/zinc/27/30/25/404273025.db2.gz JTJXNARQAZZSJL-RDTXWAMCSA-N 0 3 321.465 2.466 20 30 DEEDHN Cc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cnn1CC(C)C ZINC000329416120 404331109 /nfs/dbraw/zinc/33/11/09/404331109.db2.gz FPCDBFBRDSLKGY-GDBMZVCRSA-N 0 3 319.453 2.419 20 30 DEEDHN C=CCN(CC=C)[C@H](CNCc1nn(CC)nc1C)C(C)C ZINC000296557927 404306280 /nfs/dbraw/zinc/30/62/80/404306280.db2.gz UWVWHGZQTMFZLF-QGZVFWFLSA-N 0 3 305.470 2.395 20 30 DEEDHN CC(C)CCn1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)nn1 ZINC000329353444 404310088 /nfs/dbraw/zinc/31/00/88/404310088.db2.gz UZJHZDBYGFXRKC-CYBMUJFWSA-N 0 3 305.426 2.279 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1noc(C)n1 ZINC000329351840 404310402 /nfs/dbraw/zinc/31/04/02/404310402.db2.gz DSCWXFMSSPZECC-ZIAGYGMSSA-N 0 3 321.425 2.303 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCC[C@@H](C)C1 ZINC000355763309 404365044 /nfs/dbraw/zinc/36/50/44/404365044.db2.gz FNBLJIXDFWRUSY-CABCVRRESA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnccc1C#N ZINC000342107835 404373188 /nfs/dbraw/zinc/37/31/88/404373188.db2.gz RTGDEKYRJNUCLJ-HZSPNIEDSA-N 0 3 300.406 2.049 20 30 DEEDHN CN(C)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000345018466 404502478 /nfs/dbraw/zinc/50/24/78/404502478.db2.gz MCOLTVUHMSIDTQ-LJQANCHMSA-N 0 3 321.424 2.390 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1(c2ccccc2F)CC1 ZINC000297218983 404505920 /nfs/dbraw/zinc/50/59/20/404505920.db2.gz FAVCMBFOMALECP-UHFFFAOYSA-N 0 3 303.381 2.069 20 30 DEEDHN Cn1nnc2ccc(C(=O)NC[C@@H]3CCCCN3C3CC3)cc21 ZINC000329960455 404509075 /nfs/dbraw/zinc/50/90/75/404509075.db2.gz RDFVWYXVNPVVDX-AWEZNQCLSA-N 0 3 313.405 2.290 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000329759350 404443316 /nfs/dbraw/zinc/44/33/16/404443316.db2.gz OTANSFDNZLYMTR-UKPHBRMFSA-N 0 3 309.454 2.322 20 30 DEEDHN Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000330194572 404581890 /nfs/dbraw/zinc/58/18/90/404581890.db2.gz BDIPIFITAQVBNJ-PXAZEXFGSA-N 0 3 320.437 2.337 20 30 DEEDHN CCCc1nc(C)c(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)o1 ZINC000330205737 404586131 /nfs/dbraw/zinc/58/61/31/404586131.db2.gz CQTQCDALFSMKCC-QGZVFWFLSA-N 0 3 320.437 2.377 20 30 DEEDHN COc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345107237 404553147 /nfs/dbraw/zinc/55/31/47/404553147.db2.gz CHFXKCZGCCPWPE-CHWSQXEVSA-N 0 3 301.390 2.297 20 30 DEEDHN CC[C@@H](C)n1ncc(NC(=O)N2CCN3CCC[C@@H]3C2)c1C ZINC000330140405 404563725 /nfs/dbraw/zinc/56/37/25/404563725.db2.gz WYZZSHPQTGSETH-TZMCWYRMSA-N 0 3 305.426 2.488 20 30 DEEDHN Cc1cc(C[C@H](C)NC(=O)N2CC[C@@H](N3CCCCC3)C2)[nH]n1 ZINC000330172909 404572219 /nfs/dbraw/zinc/57/22/19/404572219.db2.gz GVKGJXTUEBFSST-XJKSGUPXSA-N 0 3 319.453 2.123 20 30 DEEDHN Cc1nc(NCc2ccccc2CN2CC[C@H](O)C2)ccc1C#N ZINC000291902781 404573793 /nfs/dbraw/zinc/57/37/93/404573793.db2.gz KGHBSQOYOQKSRB-SFHVURJKSA-N 0 3 322.412 2.440 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330234570 404595248 /nfs/dbraw/zinc/59/52/48/404595248.db2.gz YKHXCJXYMPAGLO-HUUCEWRRSA-N 0 3 309.454 2.466 20 30 DEEDHN CC(C)[C@@H](C(=O)N1CC(NC(=O)C2CCC2)C1)N1CCCCC1 ZINC000330182811 404576934 /nfs/dbraw/zinc/57/69/34/404576934.db2.gz PGYZPXKNQYPFHN-INIZCTEOSA-N 0 3 321.465 2.464 20 30 DEEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000330367942 404638602 /nfs/dbraw/zinc/63/86/02/404638602.db2.gz IMDUFGAGUHFSJB-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330256138 404602636 /nfs/dbraw/zinc/60/26/36/404602636.db2.gz KKBIZKXTIJRQLW-ZBINZKHDSA-N 0 3 306.410 2.171 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000356582664 404604274 /nfs/dbraw/zinc/60/42/74/404604274.db2.gz SSGUAMXGBPAJKY-GOSISDBHSA-N 0 3 309.498 2.465 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C2CC2)C(F)(F)F)CC1 ZINC000352908709 404688962 /nfs/dbraw/zinc/68/89/62/404688962.db2.gz ICAJGIFYKMPAFJ-GFCCVEGCSA-N 0 3 305.344 2.277 20 30 DEEDHN CC(C#N)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000357828116 404745037 /nfs/dbraw/zinc/74/50/37/404745037.db2.gz NXJYQYSEEWMOEO-RRFJBIMHSA-N 0 3 315.417 2.072 20 30 DEEDHN C=C(C)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375886921 404765708 /nfs/dbraw/zinc/76/57/08/404765708.db2.gz HIZRQMZDBKVAKD-HNNXBMFYSA-N 0 3 309.454 2.190 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCCC(C)(C)C#N)O1 ZINC000374687625 404710735 /nfs/dbraw/zinc/71/07/35/404710735.db2.gz SMQIILXIHVDCJP-YJNKXOJESA-N 0 3 308.422 2.500 20 30 DEEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)nc(C)n1 ZINC000356992892 404723575 /nfs/dbraw/zinc/72/35/75/404723575.db2.gz WOURFURBEJBVGM-MRXNPFEDSA-N 0 3 308.385 2.482 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000357098251 404727986 /nfs/dbraw/zinc/72/79/86/404727986.db2.gz CNQRVRIRYVPKNC-MRXNPFEDSA-N 0 3 321.465 2.276 20 30 DEEDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2c(F)cccc2C#N)CCN1C ZINC000353232179 404777523 /nfs/dbraw/zinc/77/75/23/404777523.db2.gz SEGCITLMWOSDCJ-TZMCWYRMSA-N 0 3 303.381 2.181 20 30 DEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)c(F)c1 ZINC000434434434 404897042 /nfs/dbraw/zinc/89/70/42/404897042.db2.gz HVJJRPVAUFUBAF-QPUJVOFHSA-N 0 3 312.728 2.359 20 30 DEEDHN N#C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccccc1F ZINC000353693048 404923640 /nfs/dbraw/zinc/92/36/40/404923640.db2.gz VDXCIXGXICVCLJ-HOTGVXAUSA-N 0 3 301.365 2.381 20 30 DEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000361133539 404936494 /nfs/dbraw/zinc/93/64/94/404936494.db2.gz XSJPHFJKEMCGDW-LRDDRELGSA-N 0 3 315.348 2.183 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000451319675 404951562 /nfs/dbraw/zinc/95/15/62/404951562.db2.gz HYNNGXGPHPECAO-MRXNPFEDSA-N 0 3 322.412 2.447 20 30 DEEDHN CCN(Cc1cccc(NC(=O)[C@@H](N)CCCC#N)c1)C(C)=O ZINC000424089914 405003346 /nfs/dbraw/zinc/00/33/46/405003346.db2.gz BDSZEYMYBSKSKT-INIZCTEOSA-N 0 3 316.405 2.015 20 30 DEEDHN CC(C#N)C(=O)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000361287029 405009065 /nfs/dbraw/zinc/00/90/65/405009065.db2.gz GRGATBYZLSRQSL-SECBINFHSA-N 0 3 301.268 2.145 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424116365 405011496 /nfs/dbraw/zinc/01/14/96/405011496.db2.gz BIPNFTUAOAIFPI-UTUOFQBUSA-N 0 3 305.344 2.492 20 30 DEEDHN Cn1nc(C2CCCCC2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424122157 405014374 /nfs/dbraw/zinc/01/43/74/405014374.db2.gz IPVVYOMYANQBHI-ZDUSSCGKSA-N 0 3 303.410 2.427 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(F)c1 ZINC000424126382 405015259 /nfs/dbraw/zinc/01/52/59/405015259.db2.gz SWVVIVUNUQHILD-UKRRQHHQSA-N 0 3 307.369 2.120 20 30 DEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(Cl)c1 ZINC000424127338 405015379 /nfs/dbraw/zinc/01/53/79/405015379.db2.gz QKRKKLSHYMGBGD-SMDDNHRTSA-N 0 3 309.797 2.245 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700529 405017507 /nfs/dbraw/zinc/01/75/07/405017507.db2.gz GLJDRUSJJMYZPU-YLFCFFPRSA-N 0 3 306.450 2.058 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451704661 405017852 /nfs/dbraw/zinc/01/78/52/405017852.db2.gz KVCRFZBZJLPIER-YVSFHVDLSA-N 0 3 308.466 2.282 20 30 DEEDHN COc1cc(F)c([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424135183 405017893 /nfs/dbraw/zinc/01/78/93/405017893.db2.gz JAGOTMFKFJODLY-MFKMUULPSA-N 0 3 323.368 2.041 20 30 DEEDHN CCO[C@H](C)c1nc(CN(C)C(=O)[C@H](N)CCCC#N)cs1 ZINC000424143026 405020263 /nfs/dbraw/zinc/02/02/63/405020263.db2.gz JIFHSLDFMVXHPX-DGCLKSJQSA-N 0 3 324.450 2.220 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(N2CCCC2)c1 ZINC000424154000 405023944 /nfs/dbraw/zinc/02/39/44/405023944.db2.gz LYVGFGYORVPHIX-WMLDXEAASA-N 0 3 314.433 2.485 20 30 DEEDHN Cc1cccc(CNC(=O)[C@H](N)CCCC#N)c1Br ZINC000424177457 405031204 /nfs/dbraw/zinc/03/12/04/405031204.db2.gz UMTRHAGTCGEVBE-GFCCVEGCSA-N 0 3 324.222 2.395 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2cccnc2)CCOCC1 ZINC000424060602 404990080 /nfs/dbraw/zinc/99/00/80/404990080.db2.gz QECSLWLOUDDPEP-UHFFFAOYSA-N 0 3 317.433 2.050 20 30 DEEDHN CN(C)C(=O)c1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000424088815 405001260 /nfs/dbraw/zinc/00/12/60/405001260.db2.gz HFKSZYSNQVCOPP-ZDUSSCGKSA-N 0 3 322.796 2.001 20 30 DEEDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000451822939 405053404 /nfs/dbraw/zinc/05/34/04/405053404.db2.gz LQBPBEBKKUGLHM-CVEARBPZSA-N 0 3 320.481 2.134 20 30 DEEDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000451822940 405053520 /nfs/dbraw/zinc/05/35/20/405053520.db2.gz LQBPBEBKKUGLHM-HOTGVXAUSA-N 0 3 320.481 2.134 20 30 DEEDHN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1S(C)(=O)=O ZINC000424322208 405068758 /nfs/dbraw/zinc/06/87/58/405068758.db2.gz ICVQKHFSOQSLCQ-MBNYWOFBSA-N 0 3 322.430 2.442 20 30 DEEDHN COC1(CN2CCN(c3cc(C#N)ccn3)CC2)CCCCC1 ZINC000361501221 405103790 /nfs/dbraw/zinc/10/37/90/405103790.db2.gz OBWWNIUDGKDKFU-UHFFFAOYSA-N 0 3 314.433 2.425 20 30 DEEDHN CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC(C)(C)C ZINC000361518999 405112987 /nfs/dbraw/zinc/11/29/87/405112987.db2.gz LPWHJSVQYVLUHS-MRXNPFEDSA-N 0 3 322.497 2.047 20 30 DEEDHN N#Cc1ncn(CCNCc2cccc(-c3cccnc3)c2)n1 ZINC000367739593 405139632 /nfs/dbraw/zinc/13/96/32/405139632.db2.gz XEHHIYKEBQCTQU-UHFFFAOYSA-N 0 3 304.357 2.002 20 30 DEEDHN C=CCCn1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)nn1 ZINC000424755218 405168844 /nfs/dbraw/zinc/16/88/44/405168844.db2.gz QWVQQFVTDIQNSL-UHFFFAOYSA-N 0 3 313.405 2.477 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(CCCN(C)Cc2ccccc2)C1=O ZINC000419921812 405272047 /nfs/dbraw/zinc/27/20/47/405272047.db2.gz IUBBEYQEFQUXBV-INIZCTEOSA-N 0 3 315.417 2.395 20 30 DEEDHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000425361359 405280199 /nfs/dbraw/zinc/28/01/99/405280199.db2.gz ZCEMNBMPYMDZDT-LSDHHAIUSA-N 0 3 318.421 2.233 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000439619277 405286373 /nfs/dbraw/zinc/28/63/73/405286373.db2.gz QSCXXWDDGWNDRG-JONQDZQNSA-N 0 3 306.450 2.369 20 30 DEEDHN N#Cc1nc(N2CC[C@H](N3CC=CC3)C2)ccc1C(F)(F)F ZINC000443510897 405338886 /nfs/dbraw/zinc/33/88/86/405338886.db2.gz PCYPUWFSLYNEGE-NSHDSACASA-N 0 3 308.307 2.423 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCN1C1CC1)C(C)C ZINC000426417745 405358921 /nfs/dbraw/zinc/35/89/21/405358921.db2.gz CCCJILJLKIALAG-ROUUACIJSA-N 0 3 319.493 2.428 20 30 DEEDHN C[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN1 ZINC000420231824 405298229 /nfs/dbraw/zinc/29/82/29/405298229.db2.gz BDNFQNKSWJIUFZ-ZDUSSCGKSA-N 0 3 309.417 2.282 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425492231 405298723 /nfs/dbraw/zinc/29/87/23/405298723.db2.gz RWLNZYSUYSHKKQ-HYVNUMGLSA-N 0 3 314.433 2.498 20 30 DEEDHN COCCO[C@@H]1C[C@H](CO)CN(CCCCC(C)(C)C#N)C1 ZINC000447396141 405413118 /nfs/dbraw/zinc/41/31/18/405413118.db2.gz VBRQUYPPGANCEJ-JKSUJKDBSA-N 0 3 312.454 2.052 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454625773 405374480 /nfs/dbraw/zinc/37/44/80/405374480.db2.gz URXGVGYZCCWTOC-ZDUSSCGKSA-N 0 3 318.396 2.371 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000429502269 405433413 /nfs/dbraw/zinc/43/34/13/405433413.db2.gz CMLRNWLHRQTRDV-HUUCEWRRSA-N 0 3 307.438 2.218 20 30 DEEDHN CN(CCCNC(=O)C1CCC1)Cc1ccc(F)c(C#N)c1 ZINC000429551833 405436282 /nfs/dbraw/zinc/43/62/82/405436282.db2.gz GLPZJAUDWBGMDU-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000448691578 405437037 /nfs/dbraw/zinc/43/70/37/405437037.db2.gz SHQKTOINTWKLGP-CABCVRRESA-N 0 3 324.490 2.055 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c(Cl)c1 ZINC000556517744 405487953 /nfs/dbraw/zinc/48/79/53/405487953.db2.gz DUFSIPMOMXBENH-GOEBONIOSA-N 0 3 303.793 2.358 20 30 DEEDHN Cc1nn(C[C@H]2CN(Cc3ccccc3)CCCO2)cc1C#N ZINC000577807536 405513933 /nfs/dbraw/zinc/51/39/33/405513933.db2.gz BEGLEYYZXATENB-GOSISDBHSA-N 0 3 310.401 2.354 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN1C[C@H](O)CC1(C#N)CC1 ZINC000528376642 405582262 /nfs/dbraw/zinc/58/22/62/405582262.db2.gz CBDGDJULUHNJTQ-SJLPKXTDSA-N 0 3 313.445 2.247 20 30 DEEDHN CC(C)OC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528382850 405584534 /nfs/dbraw/zinc/58/45/34/405584534.db2.gz UFZNTOYHVQLNCS-MRXNPFEDSA-N 0 3 318.417 2.187 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000449516811 405593710 /nfs/dbraw/zinc/59/37/10/405593710.db2.gz CLSMRASBYZICLM-MAZHCROVSA-N 0 3 305.374 2.060 20 30 DEEDHN CCOc1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CC1)C2 ZINC000528423049 405598442 /nfs/dbraw/zinc/59/84/42/405598442.db2.gz GNKDPQQQCOTPLR-MRXNPFEDSA-N 0 3 300.402 2.498 20 30 DEEDHN CC1(C)CCCN1CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000457049042 405670643 /nfs/dbraw/zinc/67/06/43/405670643.db2.gz FIFQEEQLPNVTMM-UHFFFAOYSA-N 0 3 307.344 2.441 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000457090944 405692976 /nfs/dbraw/zinc/69/29/76/405692976.db2.gz MOZZJQLMLTUAQC-ZWKOTPCHSA-N 0 3 324.428 2.182 20 30 DEEDHN C=CCC1(CNC(=O)NC[C@H]2CCCN2CCCO)CCCC1 ZINC000459059242 405720118 /nfs/dbraw/zinc/72/01/18/405720118.db2.gz FDHONZMICXHGNS-MRXNPFEDSA-N 0 3 323.481 2.269 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000457137127 405718725 /nfs/dbraw/zinc/71/87/25/405718725.db2.gz XAEDISMMLDOLSF-GFCCVEGCSA-N 0 3 307.344 2.391 20 30 DEEDHN COCCN1CCC(Nc2ccc(COC)c(C#N)c2)CC1 ZINC000529641797 405762518 /nfs/dbraw/zinc/76/25/18/405762518.db2.gz QVIOCLKHLAOUNC-UHFFFAOYSA-N 0 3 303.406 2.227 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459127571 405760262 /nfs/dbraw/zinc/76/02/62/405760262.db2.gz SJRFZBWLWKYFTD-LRDDRELGSA-N 0 3 318.396 2.179 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423615105 405877873 /nfs/dbraw/zinc/87/78/73/405877873.db2.gz UCSBIJSWZYQCEG-JKSUJKDBSA-N 0 3 323.396 2.213 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000450422600 405889168 /nfs/dbraw/zinc/88/91/68/405889168.db2.gz HHJLOYBOLVBGFM-OIISXLGYSA-N 0 3 302.418 2.214 20 30 DEEDHN CN1CCN(C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000561482073 405932365 /nfs/dbraw/zinc/93/23/65/405932365.db2.gz PDKKVYUEVROYCC-QRQLOZEOSA-N 0 3 312.461 2.257 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000495836845 405935918 /nfs/dbraw/zinc/93/59/18/405935918.db2.gz PGQBOBRTBSSCNJ-STQMWFEESA-N 0 3 309.410 2.442 20 30 DEEDHN C[C@H]1CN(C(=O)NCC#Cc2ccccc2)CCN(C2CC2)C1 ZINC000457604654 405917015 /nfs/dbraw/zinc/91/70/15/405917015.db2.gz XOFMDVRBONUUNF-MRXNPFEDSA-N 0 3 311.429 2.164 20 30 DEEDHN CC1CC(C#N)(C(=O)NCC2(N3CCCCC3)CCOCC2)C1 ZINC000531808029 406009950 /nfs/dbraw/zinc/00/99/50/406009950.db2.gz NMAYCOFKTNRKQL-UHFFFAOYSA-N 0 3 319.449 2.078 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C12CCC2 ZINC000459740694 406028350 /nfs/dbraw/zinc/02/83/50/406028350.db2.gz BODDJWBTNDXLCW-DAXOMENPSA-N 0 3 313.401 2.432 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459669636 406001403 /nfs/dbraw/zinc/00/14/03/406001403.db2.gz DUERXAVDKNXNHO-HOTGVXAUSA-N 0 3 315.417 2.266 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CN1C1CC1 ZINC000566852238 406092211 /nfs/dbraw/zinc/09/22/11/406092211.db2.gz BNLKGQZNMPOXDQ-DZGCQCFKSA-N 0 3 304.438 2.337 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000566903260 406092471 /nfs/dbraw/zinc/09/24/71/406092471.db2.gz ZWKHVSCRUDPTQJ-PBHICJAKSA-N 0 3 315.417 2.435 20 30 DEEDHN CC[C@@H](CC#N)NCCCN1CCN(c2ccccc2)CC1 ZINC000566982412 406093391 /nfs/dbraw/zinc/09/33/91/406093391.db2.gz VPWFFIMEEGGMCS-KRWDZBQOSA-N 0 3 300.450 2.481 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H](CO)C[C@@H]1C ZINC000567080184 406094511 /nfs/dbraw/zinc/09/45/11/406094511.db2.gz CHJNDEDGESGHGH-BQFCYCMXSA-N 0 3 319.445 2.248 20 30 DEEDHN N#Cc1cccc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)c1 ZINC000459794680 406050370 /nfs/dbraw/zinc/05/03/70/406050370.db2.gz WTXTYNITFSSUOK-UHFFFAOYSA-N 0 3 309.413 2.328 20 30 DEEDHN CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564150159 406063049 /nfs/dbraw/zinc/06/30/49/406063049.db2.gz KCQUVXFWUITZGN-JKSUJKDBSA-N 0 3 314.433 2.348 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)CCC(C)C)CC1 ZINC000636742693 406070172 /nfs/dbraw/zinc/07/01/72/406070172.db2.gz NJMOFIAZHYGATL-MRXNPFEDSA-N 0 3 311.470 2.123 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000565166772 406070279 /nfs/dbraw/zinc/07/02/79/406070279.db2.gz UYKXSZTVENMHFL-NWANDNLSSA-N 0 3 322.474 2.400 20 30 DEEDHN CCN(CC)[C@H](CNc1ccnc(C#N)n1)c1ccsc1 ZINC000518795864 406160546 /nfs/dbraw/zinc/16/05/46/406160546.db2.gz HQIMQWJVKYXSHY-CYBMUJFWSA-N 0 3 301.419 2.327 20 30 DEEDHN COc1ccc(CN2C[C@@H](O)C[C@@H]2C)cc1OCCCC#N ZINC000471798261 406118315 /nfs/dbraw/zinc/11/83/15/406118315.db2.gz LKCWVFHJNIDTLD-ZFWWWQNUSA-N 0 3 304.390 2.333 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(OC3CCOCC3)c2)C1 ZINC000569303843 406232800 /nfs/dbraw/zinc/23/28/00/406232800.db2.gz AIOQSZCPAFZACM-DZGCQCFKSA-N 0 3 301.390 2.421 20 30 DEEDHN C[C@@H]1CN(c2ccnc(C#N)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000569001759 292383483 /nfs/dbraw/zinc/38/34/83/292383483.db2.gz KGELZBOQCSFDNO-CABCVRRESA-N 0 3 307.401 2.447 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000521033669 406327784 /nfs/dbraw/zinc/32/77/84/406327784.db2.gz VUXLCAVXWIVBGA-OLMNPRSZSA-N 0 3 318.417 2.108 20 30 DEEDHN C[C@@H]1[C@H](CO)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000488762761 406346519 /nfs/dbraw/zinc/34/65/19/406346519.db2.gz PPTGPOQQKLSQGA-CJNGLKHVSA-N 0 3 310.401 2.161 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2CC(F)(F)C2)CC1 ZINC000488834377 406354163 /nfs/dbraw/zinc/35/41/63/406354163.db2.gz GNQAWQVFGOWGIM-UHFFFAOYSA-N 0 3 301.381 2.371 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000489805996 406431983 /nfs/dbraw/zinc/43/19/83/406431983.db2.gz PGYYVXBVLOKGEL-KRWDZBQOSA-N 0 3 322.474 2.394 20 30 DEEDHN CCCO[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000571208968 406491281 /nfs/dbraw/zinc/49/12/81/406491281.db2.gz FWFWJQKIMDGDBR-MRXNPFEDSA-N 0 3 313.405 2.382 20 30 DEEDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C1(C)C ZINC000571224238 406493059 /nfs/dbraw/zinc/49/30/59/406493059.db2.gz NPFIVRKJEBNCLE-BFHYXJOUSA-N 0 3 307.438 2.119 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C1CCCCC1 ZINC000490831665 406497339 /nfs/dbraw/zinc/49/73/39/406497339.db2.gz WOTZTUONKDITIV-PBHICJAKSA-N 0 3 303.450 2.447 20 30 DEEDHN N#CC1(CCCN2CCC[C@H](N3CCCC3=O)C2)CCOCC1 ZINC000524293795 406444713 /nfs/dbraw/zinc/44/47/13/406444713.db2.gz PPQPYKYSNIHVJZ-INIZCTEOSA-N 0 3 319.449 2.174 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCCC2=CCCCC2)nc1 ZINC000569152017 292394043 /nfs/dbraw/zinc/39/40/43/292394043.db2.gz VXXKQXKCLHENLO-UHFFFAOYSA-N 0 3 319.430 2.207 20 30 DEEDHN C#CCNC(=O)C1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000491155461 406535486 /nfs/dbraw/zinc/53/54/86/406535486.db2.gz RKISAYMPQSQVHG-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C#C[C@H]1COCCN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000491299073 406563705 /nfs/dbraw/zinc/56/37/05/406563705.db2.gz YAYQYFSHCMAXOV-KRWDZBQOSA-N 0 3 312.413 2.145 20 30 DEEDHN C#CCN1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000491296526 406563735 /nfs/dbraw/zinc/56/37/35/406563735.db2.gz MKTIVOWMUQBXRB-HOTGVXAUSA-N 0 3 322.449 2.404 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000490984824 406516130 /nfs/dbraw/zinc/51/61/30/406516130.db2.gz IKXAZTUJDGLBOE-DNVCBOLYSA-N 0 3 320.477 2.025 20 30 DEEDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000572131896 406610567 /nfs/dbraw/zinc/61/05/67/406610567.db2.gz RFQVJCIPPQZFHW-BPUTZDHNSA-N 0 3 315.417 2.071 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000491525797 406612026 /nfs/dbraw/zinc/61/20/26/406612026.db2.gz VHFBFWFFFKRBKN-HNNXBMFYSA-N 0 3 313.445 2.486 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc2nc(C)sc2c1 ZINC000491536981 406613967 /nfs/dbraw/zinc/61/39/67/406613967.db2.gz NJMBGNINJUQCPT-UHFFFAOYSA-N 0 3 301.415 2.290 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000491373508 406579667 /nfs/dbraw/zinc/57/96/67/406579667.db2.gz NFFOZTUIKYZXFA-UHFFFAOYSA-N 0 3 314.404 2.362 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000491701954 406677512 /nfs/dbraw/zinc/67/75/12/406677512.db2.gz LTMQQMXNZALWHS-AWEZNQCLSA-N 0 3 317.260 2.422 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCCC1(F)F ZINC000491705844 406680401 /nfs/dbraw/zinc/68/04/01/406680401.db2.gz ZWNKGXRHNVLBQB-ZDUSSCGKSA-N 0 3 301.381 2.066 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000640920628 406741500 /nfs/dbraw/zinc/74/15/00/406741500.db2.gz PARRNLUJSYRILI-OCCSQVGLSA-N 0 3 305.426 2.086 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CN1C1CC1 ZINC000572939374 406766979 /nfs/dbraw/zinc/76/69/79/406766979.db2.gz MFOBGWJFEDSFLH-BGIURUKPSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=S)Nc1ccc(OC)c(F)c1 ZINC000491809947 406730326 /nfs/dbraw/zinc/73/03/26/406730326.db2.gz HEMGXWQRYSQJTK-UHFFFAOYSA-N 0 3 309.410 2.076 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccnc2C)CC1 ZINC000527725714 406730550 /nfs/dbraw/zinc/73/05/50/406730550.db2.gz ACVSJSFHSGEQIG-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000573677286 406775277 /nfs/dbraw/zinc/77/52/77/406775277.db2.gz WBPYRFOZOSXKAP-USXIJHARSA-N 0 3 300.402 2.437 20 30 DEEDHN CC#CC[C@H](CO)NCc1cn(C)nc1-c1ccc(F)cc1 ZINC000641768347 406888629 /nfs/dbraw/zinc/88/86/29/406888629.db2.gz ZZFWCANKMZZXJC-MRXNPFEDSA-N 0 3 301.365 2.090 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646922257 406926254 /nfs/dbraw/zinc/92/62/54/406926254.db2.gz KXUWOKQYRZWNIT-BBRMVZONSA-N 0 3 316.401 2.036 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1OC ZINC000644822527 407200420 /nfs/dbraw/zinc/20/04/20/407200420.db2.gz UPKDLPJAECLGNB-GJZGRUSLSA-N 0 3 316.401 2.036 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCNC(=O)c1ccn[nH]1 ZINC000570105575 292463838 /nfs/dbraw/zinc/46/38/38/292463838.db2.gz FEEICLHTJDCADF-MRXNPFEDSA-N 0 3 323.400 2.068 20 30 DEEDHN N#Cc1ccc(CN2CCC(CN3CCOCC3)CC2)s1 ZINC000134120424 196363084 /nfs/dbraw/zinc/36/30/84/196363084.db2.gz VBFRAOQRJQXBCE-UHFFFAOYSA-N 0 3 305.447 2.164 20 30 DEEDHN N#CC(C(=O)c1ccc(C(N)=O)cc1)c1cnc2ccccc2n1 ZINC000190925684 225098583 /nfs/dbraw/zinc/09/85/83/225098583.db2.gz AODKTDXYJBEKQQ-CYBMUJFWSA-N 0 3 316.320 2.219 20 30 DEEDHN Cc1nn(C)c(OCC(F)(F)F)c1CNCCCCC#N ZINC000237752418 225212376 /nfs/dbraw/zinc/21/23/76/225212376.db2.gz KXBBLJBFPMVZOK-UHFFFAOYSA-N 0 3 304.316 2.453 20 30 DEEDHN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)C(=O)NC3CC3)C2)n1 ZINC000328649175 225779637 /nfs/dbraw/zinc/77/96/37/225779637.db2.gz IPMOJIQVCCFTMK-BXUZGUMPSA-N 0 3 305.426 2.114 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCCC#N)CCN1Cc1ccccc1 ZINC000331164580 226065916 /nfs/dbraw/zinc/06/59/16/226065916.db2.gz SNIMBHNUNPDHMZ-ZBFHGGJFSA-N 0 3 300.406 2.457 20 30 DEEDHN CN(C(=O)NCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000331163909 226066157 /nfs/dbraw/zinc/06/61/57/226066157.db2.gz RZBXPJKYRJERDV-INIZCTEOSA-N 0 3 300.406 2.410 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000332077754 226091957 /nfs/dbraw/zinc/09/19/57/226091957.db2.gz GZRQKTATYYOLQW-JHJVBQTASA-N 0 3 301.350 2.168 20 30 DEEDHN N#CCCOCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000339009204 226178045 /nfs/dbraw/zinc/17/80/45/226178045.db2.gz BLWXGPGJMJMPOI-INIZCTEOSA-N 0 3 315.417 2.059 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N(C)C2(C#N)CCCC2)cc1 ZINC000340634863 226204363 /nfs/dbraw/zinc/20/43/63/226204363.db2.gz HTSOFFMPWKBDJR-UHFFFAOYSA-N 0 3 321.446 2.205 20 30 DEEDHN COCCOCc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000291090669 222129390 /nfs/dbraw/zinc/12/93/90/222129390.db2.gz XLTKFPNRFFBGGZ-UHFFFAOYSA-N 0 3 313.401 2.350 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000377765490 227200657 /nfs/dbraw/zinc/20/06/57/227200657.db2.gz JMLOVGXSDIMMFQ-JFIYKMOQSA-N 0 3 300.402 2.367 20 30 DEEDHN N#Cc1c[nH]nc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000601641431 422426476 /nfs/dbraw/zinc/42/64/76/422426476.db2.gz PDPDUYQEKVPHKI-CQSZACIVSA-N 0 3 309.373 2.132 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000648999199 424940542 /nfs/dbraw/zinc/94/05/42/424940542.db2.gz JOJLKJONAOITTH-KSZLIROESA-N 0 3 314.429 2.310 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)C[C@H](CO)C1 ZINC000420950782 424977016 /nfs/dbraw/zinc/97/70/16/424977016.db2.gz XJXJXHZJEZQJGH-SOLBZPMBSA-N 0 3 319.445 2.105 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000649362814 425000983 /nfs/dbraw/zinc/00/09/83/425000983.db2.gz HRUNLQPCWNPCLY-TZMCWYRMSA-N 0 3 323.824 2.323 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](N[C@H](C)CC)c2ccco2)n1 ZINC000596230964 425022202 /nfs/dbraw/zinc/02/22/02/425022202.db2.gz MEVKQMVALVCKEU-OCCSQVGLSA-N 0 3 313.405 3.045 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](N[C@H](C)CC)c2ccco2)n1 ZINC000596230965 425022259 /nfs/dbraw/zinc/02/22/59/425022259.db2.gz MEVKQMVALVCKEU-TZMCWYRMSA-N 0 3 313.405 3.045 20 30 DEEDHN Cc1c(C#N)c(NC[C@@H]2CCCN2CCCO)nc2ccccc12 ZINC000450590950 425077917 /nfs/dbraw/zinc/07/79/17/425077917.db2.gz FJFKSXQOHARJRI-HNNXBMFYSA-N 0 3 324.428 2.674 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649780957 425079636 /nfs/dbraw/zinc/07/96/36/425079636.db2.gz KVWVYIVFBAMCFC-QEJZJMRPSA-N 0 3 305.422 2.385 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000652088091 425181037 /nfs/dbraw/zinc/18/10/37/425181037.db2.gz LFCPRNMFHZDVQB-SJORKVTESA-N 0 3 317.433 2.281 20 30 DEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)[C@H](C)COC ZINC000663794396 425237653 /nfs/dbraw/zinc/23/76/53/425237653.db2.gz WQJJTFKFIOAHGT-BZUAXINKSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCN(C(=O)NCCN1CCCC[C@@H]1CC)[C@@H](C)COC ZINC000664178310 425324236 /nfs/dbraw/zinc/32/42/36/425324236.db2.gz IIHOUMBYTCOVIB-HOTGVXAUSA-N 0 3 311.470 2.483 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)[C@@H](C)O)CC1 ZINC000664018643 425290425 /nfs/dbraw/zinc/29/04/25/425290425.db2.gz BCUCMSKLILKLET-PBHICJAKSA-N 0 3 317.433 2.058 20 30 DEEDHN C=CCCn1cc(CNC2CCC(OC(F)F)CC2)nn1 ZINC000657484997 425347292 /nfs/dbraw/zinc/34/72/92/425347292.db2.gz IJZQQRKTSUTVBV-UHFFFAOYSA-N 0 3 300.353 2.494 20 30 DEEDHN C=CCCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000664324216 425360728 /nfs/dbraw/zinc/36/07/28/425360728.db2.gz VNOMVIWVWXYNGX-UHFFFAOYSA-N 0 3 317.433 2.019 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664806801 425457256 /nfs/dbraw/zinc/45/72/56/425457256.db2.gz OUTFDVGNSWCPEK-XHSDSOJGSA-N 0 3 309.454 2.093 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662117274 425567838 /nfs/dbraw/zinc/56/78/38/425567838.db2.gz CJSDODNEXYSLMB-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCNC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000665942316 425672699 /nfs/dbraw/zinc/67/26/99/425672699.db2.gz DXXVQTKHDLHSHA-UHFFFAOYSA-N 0 3 305.422 2.345 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655912173 425683559 /nfs/dbraw/zinc/68/35/59/425683559.db2.gz RORLFQBWMIUBPA-LBPRGKRZSA-N 0 3 301.312 2.274 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccncc2)C1 ZINC000528503882 268301767 /nfs/dbraw/zinc/30/17/67/268301767.db2.gz AMAAIPMDNXNLJO-QZTJIDSGSA-N 0 3 323.396 2.182 20 30 DEEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1cncc(C#N)n1 ZINC000401321056 269111802 /nfs/dbraw/zinc/11/18/02/269111802.db2.gz JFKXXONESODFGF-MRXNPFEDSA-N 0 3 307.401 2.307 20 30 DEEDHN C[C@@H]1CCN(c2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401291280 269112228 /nfs/dbraw/zinc/11/22/28/269112228.db2.gz LLTUPRKQDJBMAD-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)[C@H]1C ZINC001088919151 782046500 /nfs/dbraw/zinc/04/65/00/782046500.db2.gz PHOJMSKSSXAUMJ-KDOFPFPSSA-N 0 3 322.412 2.293 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccc(F)cc2F)C[C@@H]1C ZINC001328278032 1148762912 /nfs/dbraw/zinc/76/29/12/1148762912.db2.gz GPZBVLIMLFIGSV-XJKSGUPXSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCSc2ccccc21 ZINC000451672390 275436923 /nfs/dbraw/zinc/43/69/23/275436923.db2.gz HYITVGSAVPDJOH-HIFRSBDPSA-N 0 3 318.442 2.449 20 30 DEEDHN CCOC[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352800500 276463655 /nfs/dbraw/zinc/46/36/55/276463655.db2.gz QHPZSAQAWUMXGV-GFCCVEGCSA-N 0 3 302.296 2.064 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2cccc3c2OCO3)CCSC1 ZINC000329314947 276847522 /nfs/dbraw/zinc/84/75/22/276847522.db2.gz DPCINXQIXVVHNM-OAHLLOKOSA-N 0 3 323.418 2.179 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000263674102 277063658 /nfs/dbraw/zinc/06/36/58/277063658.db2.gz JBNRAHOHFQMALP-CYBMUJFWSA-N 0 3 303.410 2.330 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](O)CC1)C(C)C ZINC000296964840 277850460 /nfs/dbraw/zinc/85/04/60/277850460.db2.gz DELJHLSQRWYVBA-IAGOWNOFSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)C(C)C ZINC000417072275 277851184 /nfs/dbraw/zinc/85/11/84/277851184.db2.gz XEDYXCFWSJMDJG-GVDBMIGSSA-N 0 3 322.497 2.077 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000054396813 277866481 /nfs/dbraw/zinc/86/64/81/277866481.db2.gz XPCXMOARAMSFIM-HNNXBMFYSA-N 0 3 303.406 2.375 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)NCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000355087633 278084078 /nfs/dbraw/zinc/08/40/78/278084078.db2.gz SUVAJGWBEMNDRM-ZBFHGGJFSA-N 0 3 314.433 2.498 20 30 DEEDHN CC[C@H](N[C@@H]1CCOC[C@H]1OCCOC)c1ccc(C#N)cc1 ZINC000447602181 288071331 /nfs/dbraw/zinc/07/13/31/288071331.db2.gz RQAPVIDMARECJX-RCCFBDPRSA-N 0 3 318.417 2.419 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)[C@H]1CCC[C@@H]1C ZINC000487948911 279223243 /nfs/dbraw/zinc/22/32/43/279223243.db2.gz FASUGOIOTSQELS-PMPSAXMXSA-N 0 3 309.454 2.132 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280905937 279302545 /nfs/dbraw/zinc/30/25/45/279302545.db2.gz UAZLVQQUYMSGPQ-QAPCUYQASA-N 0 3 324.428 2.231 20 30 DEEDHN CN(C)CCOC1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000330734043 289166090 /nfs/dbraw/zinc/16/60/90/289166090.db2.gz UJBSOJRMQBCHAP-UHFFFAOYSA-N 0 3 307.438 2.030 20 30 DEEDHN COC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000136641291 293155935 /nfs/dbraw/zinc/15/59/35/293155935.db2.gz ODRHPQOPSMWREE-YOEHRIQHSA-N 0 3 315.417 2.336 20 30 DEEDHN C[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCN(C2CC2)C1 ZINC000333597938 300141997 /nfs/dbraw/zinc/14/19/97/300141997.db2.gz MBTLGRMIKCUCLP-QQFBHYJXSA-N 0 3 318.465 2.442 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCN3C)[C@H]1C ZINC001088963093 782083386 /nfs/dbraw/zinc/08/33/86/782083386.db2.gz PIDVNTNCWXMMOH-PBHICJAKSA-N 0 3 313.445 2.448 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)s1 ZINC000573741126 326087511 /nfs/dbraw/zinc/08/75/11/326087511.db2.gz FCGFSMFOYWTLBI-AWEZNQCLSA-N 0 3 305.447 2.306 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3C[C@H]3Cc3ccccc3)cnc12 ZINC000575312923 326232908 /nfs/dbraw/zinc/23/29/08/326232908.db2.gz IEQKRNDFNXPLHY-NVXWUHKLSA-N 0 3 303.369 2.322 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CC)NC(=O)C(C)(C)N1CCCCC1 ZINC001356872732 1152167635 /nfs/dbraw/zinc/16/76/35/1152167635.db2.gz NMUBPSNFODUSLA-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1ccc(Cl)s1 ZINC000568952000 331814209 /nfs/dbraw/zinc/81/42/09/331814209.db2.gz OPTYZLBUEPXUKA-NEPJUHHUSA-N 0 3 314.838 2.341 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC000517982462 331981929 /nfs/dbraw/zinc/98/19/29/331981929.db2.gz RDXHVMVROGKIRN-UHFFFAOYSA-N 0 3 314.389 2.440 20 30 DEEDHN COc1ccc(CCCN(C)[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000125885334 332255188 /nfs/dbraw/zinc/25/51/88/332255188.db2.gz BFOWPSWGUPKRBM-HNNXBMFYSA-N 0 3 317.433 2.320 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H]2CCN(C(C)=O)C2)ccc1OC ZINC000152822358 332329118 /nfs/dbraw/zinc/32/91/18/332329118.db2.gz KFARFZYFZZZZRQ-MRXNPFEDSA-N 0 3 318.417 2.361 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583419729 332397732 /nfs/dbraw/zinc/39/77/32/332397732.db2.gz YJADMBYKKZLWIG-HZPDHXFCSA-N 0 3 323.481 2.483 20 30 DEEDHN C[C@@H](C#N)CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000561053865 332404814 /nfs/dbraw/zinc/40/48/14/332404814.db2.gz ZQHASETYQYUTTA-QMMMGPOBSA-N 0 3 300.284 2.445 20 30 DEEDHN C=CCC(F)(F)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000293205497 335105072 /nfs/dbraw/zinc/10/50/72/335105072.db2.gz ZJKXPSMLEFXQPD-UHFFFAOYSA-N 0 3 312.360 2.455 20 30 DEEDHN CC1CC(C#N)(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000531571613 333537613 /nfs/dbraw/zinc/53/76/13/333537613.db2.gz GRBQMFBRTPDIPG-UHFFFAOYSA-N 0 3 311.429 2.142 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NC(=O)C1(N(C)C)CCC1 ZINC001356889620 1152175256 /nfs/dbraw/zinc/17/52/56/1152175256.db2.gz GQFSVFKWWJSNBQ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCCC[C@@H]1C ZINC000344090290 335217050 /nfs/dbraw/zinc/21/70/50/335217050.db2.gz BSAIBVXHEJKMGF-KBPBESRZSA-N 0 3 310.417 2.287 20 30 DEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)CN(C)C1CC1 ZINC000352104588 336195110 /nfs/dbraw/zinc/19/51/10/336195110.db2.gz VAENNDHOVJUPCH-SFHVURJKSA-N 0 3 320.481 2.297 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2nc(C)no2)CC1 ZINC000582913308 337217002 /nfs/dbraw/zinc/21/70/02/337217002.db2.gz DXXPVZGHBJNZOI-LBPRGKRZSA-N 0 3 321.425 2.121 20 30 DEEDHN COC(=O)c1cc(C(=O)NCCN2CCCC(C)(C)C2)c[nH]1 ZINC000330595968 533715969 /nfs/dbraw/zinc/71/59/69/533715969.db2.gz RIKNRBYFRCINKY-UHFFFAOYSA-N 0 3 307.394 2.228 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCc3ccsc3C2)CC1 ZINC000270445781 337640502 /nfs/dbraw/zinc/64/05/02/337640502.db2.gz HEFOCXZVDBGWIJ-UHFFFAOYSA-N 0 3 305.447 2.466 20 30 DEEDHN C=C(Cl)CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270800630 337642513 /nfs/dbraw/zinc/64/25/13/337642513.db2.gz CLFPTAYVLXYDKM-UHFFFAOYSA-N 0 3 322.836 2.373 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000429727605 338088451 /nfs/dbraw/zinc/08/84/51/338088451.db2.gz CFUBATNGDRWQSV-YESZJQIVSA-N 0 3 309.498 2.367 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](O)(CC)C1)C(C)C ZINC000429937591 338092461 /nfs/dbraw/zinc/09/24/61/338092461.db2.gz CLVWSXYDLBBKOP-AEFFLSMTSA-N 0 3 323.481 2.241 20 30 DEEDHN CN1CCC(NN=C2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496238608 340001294 /nfs/dbraw/zinc/00/12/94/340001294.db2.gz LSFRULZJESFZKQ-CQSZACIVSA-N 0 3 324.469 2.494 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496536960 340007431 /nfs/dbraw/zinc/00/74/31/340007431.db2.gz WCPLSUVDEKGABR-FRRDWIJNSA-N 0 3 307.394 2.004 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496758287 340012207 /nfs/dbraw/zinc/01/22/07/340012207.db2.gz NLTOUKNZHOTSHL-RHSMWYFYSA-N 0 3 323.437 2.248 20 30 DEEDHN COCCc1noc(CC2CCN(CCC(C)(C)C#N)CC2)n1 ZINC000528617116 340726481 /nfs/dbraw/zinc/72/64/81/340726481.db2.gz FPGHLJZKHVRTFB-UHFFFAOYSA-N 0 3 320.437 2.453 20 30 DEEDHN COC[C@H](NCC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000543455389 341045668 /nfs/dbraw/zinc/04/56/68/341045668.db2.gz SBXTZTZUSVXNJE-INIZCTEOSA-N 0 3 303.406 2.194 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000132413625 341122384 /nfs/dbraw/zinc/12/23/84/341122384.db2.gz GODBNELGGMQKDK-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN1CC[C@H](C)C1 ZINC000545940027 341147354 /nfs/dbraw/zinc/14/73/54/341147354.db2.gz PURDNATYYCVMKP-AWEZNQCLSA-N 0 3 318.417 2.332 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000075673092 341180647 /nfs/dbraw/zinc/18/06/47/341180647.db2.gz UJIXOTDJMZBEDA-SFHVURJKSA-N 0 3 318.461 2.181 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccsc2)cc1 ZINC000549192632 341288515 /nfs/dbraw/zinc/28/85/15/341288515.db2.gz XIHUEXJTZPMFNC-HNNXBMFYSA-N 0 3 302.399 2.344 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001357000266 1152206476 /nfs/dbraw/zinc/20/64/76/1152206476.db2.gz CUUQHSJAOFMKHM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@H](CNC(=O)c1cncs1)NCc1ccc(C#N)s1 ZINC001378243992 1152248697 /nfs/dbraw/zinc/24/86/97/1152248697.db2.gz ZYCARBKKDIFTGP-SNVBAGLBSA-N 0 3 320.443 2.374 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(NC(=O)OC)cc1 ZINC001357285036 1152281236 /nfs/dbraw/zinc/28/12/36/1152281236.db2.gz JQEVGSPIVFJQRP-OAHLLOKOSA-N 0 3 319.405 2.207 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2nncn2C(C)C)CC1 ZINC001357503002 1152304839 /nfs/dbraw/zinc/30/48/39/1152304839.db2.gz JLCVJSSOGSXZQI-OAHLLOKOSA-N 0 3 319.453 2.249 20 30 DEEDHN C=C(Cl)CNC[C@H](CCCC)NC(=O)[C@@H]1CCCCN1C ZINC001378444494 1152331423 /nfs/dbraw/zinc/33/14/23/1152331423.db2.gz NADRFJMXKVTGLE-GJZGRUSLSA-N 0 3 315.889 2.488 20 30 DEEDHN CCc1nocc1CN1CCC(CCNC(=O)[C@H](C)C#N)CC1 ZINC001378474309 1152342722 /nfs/dbraw/zinc/34/27/22/1152342722.db2.gz XQXMZSBAGFPWTL-CYBMUJFWSA-N 0 3 318.421 2.115 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1ccco1 ZINC001378519556 1152359407 /nfs/dbraw/zinc/35/94/07/1152359407.db2.gz PHBPGUFMZXRZCY-GFCCVEGCSA-N 0 3 315.348 2.446 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CN2CCc3ccccc32)[C@H]1C ZINC001089047005 782135829 /nfs/dbraw/zinc/13/58/29/782135829.db2.gz KUXJSFGTFKEPFU-WBVHZDCISA-N 0 3 313.445 2.204 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCc2nc(C)no2)C(C)(C)C1 ZINC001330245488 1149078203 /nfs/dbraw/zinc/07/82/03/1149078203.db2.gz UEFJWBVTWUYDFU-AWEZNQCLSA-N 0 3 320.437 2.103 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COc2ccccc2)C(C)(C)C1 ZINC001330245912 1149079612 /nfs/dbraw/zinc/07/96/12/1149079612.db2.gz ZMZRTAYHNANDGE-INIZCTEOSA-N 0 3 302.418 2.468 20 30 DEEDHN COC(=O)Cc1occc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000330919187 533782610 /nfs/dbraw/zinc/78/26/10/533782610.db2.gz 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/nfs/dbraw/zinc/29/06/58/534290658.db2.gz ZQROZTQEWBXUFM-IJLUTSLNSA-N 0 3 321.402 2.150 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453357572 534577651 /nfs/dbraw/zinc/57/76/51/534577651.db2.gz OQJDLFPUYBPHIE-WQVCFCJDSA-N 0 3 324.446 2.442 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(C#N)c1 ZINC000337235426 521753123 /nfs/dbraw/zinc/75/31/23/521753123.db2.gz AUCVKWITYKFPMX-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000453341788 534611152 /nfs/dbraw/zinc/61/11/52/534611152.db2.gz CXXBNYFLRCOMLW-WQVCFCJDSA-N 0 3 324.446 2.442 20 30 DEEDHN C=CCN(CCOC)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000191124346 526300106 /nfs/dbraw/zinc/30/01/06/526300106.db2.gz FHSOCQLZZYKVFW-KRWDZBQOSA-N 0 3 307.434 2.486 20 30 DEEDHN C=CCN(CCOC)CCC(=O)N1CCc2ccccc2C1 ZINC000191093960 526300168 /nfs/dbraw/zinc/30/01/68/526300168.db2.gz MEASBPBNSQXSLL-UHFFFAOYSA-N 0 3 302.418 2.096 20 30 DEEDHN C=CCN(C[C@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000338989588 526330091 /nfs/dbraw/zinc/33/00/91/526330091.db2.gz IJOMCTHHHQNSRA-RHSMWYFYSA-N 0 3 313.405 2.390 20 30 DEEDHN CNC(=O)c1cccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000330574755 526410298 /nfs/dbraw/zinc/41/02/98/526410298.db2.gz OCNKOTXYIYTGBO-BETUJISGSA-N 0 3 303.406 2.110 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000328710541 526414398 /nfs/dbraw/zinc/41/43/98/526414398.db2.gz BSVBEESIUDHSBF-AWEZNQCLSA-N 0 3 307.438 2.384 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2cccc(N(C)C)c2)CC1 ZINC000194271385 526421881 /nfs/dbraw/zinc/42/18/81/526421881.db2.gz SXNDPJUBIIRTAH-UHFFFAOYSA-N 0 3 315.461 2.452 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H](C)n2nc(C)cc2C)CC1 ZINC000330656426 526424219 /nfs/dbraw/zinc/42/42/19/526424219.db2.gz NSUWYJYBHMWIRL-HNNXBMFYSA-N 0 3 304.438 2.218 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OC)C[C@@H]2C)CC1 ZINC000441188872 526587216 /nfs/dbraw/zinc/58/72/16/526587216.db2.gz MGKPCFUOLNEZOF-GOEBONIOSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@@H](O)C(C)C)CC1 ZINC000413231505 526594414 /nfs/dbraw/zinc/59/44/14/526594414.db2.gz FULYXXRZDBOPCE-CVEARBPZSA-N 0 3 311.470 2.122 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192746693 526636016 /nfs/dbraw/zinc/63/60/16/526636016.db2.gz IPCHMSJMFRYUOO-ZOBUZTSGSA-N 0 3 302.418 2.435 20 30 DEEDHN C#CCCN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000299707862 526727263 /nfs/dbraw/zinc/72/72/63/526727263.db2.gz PUIIFYOQHAMRIF-UHFFFAOYSA-N 0 3 319.836 2.310 20 30 DEEDHN C=C(C)[C@@H](NC[C@H](O)COCCOC)c1ccc(F)c(F)c1 ZINC000295727451 526757207 /nfs/dbraw/zinc/75/72/07/526757207.db2.gz LQPFLXOPMFQVAY-XJKSGUPXSA-N 0 3 315.360 2.196 20 30 DEEDHN C=CCOCCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000348167123 526760049 /nfs/dbraw/zinc/76/00/49/526760049.db2.gz IPSIFKOYWMSHAG-WBVHZDCISA-N 0 3 324.371 2.419 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000296727841 526818644 /nfs/dbraw/zinc/81/86/44/526818644.db2.gz CORWLUQYANKGAD-QGZVFWFLSA-N 0 3 317.433 2.401 20 30 DEEDHN C=CCOc1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423102044 526890700 /nfs/dbraw/zinc/89/07/00/526890700.db2.gz JNOXAJDTBMZJJK-QZTJIDSGSA-N 0 3 302.418 2.108 20 30 DEEDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCCSCC#N)C1 ZINC000374803110 526909750 /nfs/dbraw/zinc/90/97/50/526909750.db2.gz YQZZHORMIDBKQS-ZDUSSCGKSA-N 0 3 321.450 2.194 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2c(Cl)cccc2OC)CC1 ZINC000191867528 526926898 /nfs/dbraw/zinc/92/68/98/526926898.db2.gz ZDHBJHQGSLWNOA-UHFFFAOYSA-N 0 3 320.820 2.310 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2COc3c2cccc3Cl)CC1 ZINC000371968380 526929713 /nfs/dbraw/zinc/92/97/13/526929713.db2.gz YMMWMQVCCSASCT-OAHLLOKOSA-N 0 3 318.804 2.235 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)CC1 ZINC000377133113 526930595 /nfs/dbraw/zinc/93/05/95/526930595.db2.gz VEHVZRHNFMKMPK-PXAZEXFGSA-N 0 3 316.376 2.109 20 30 DEEDHN C=CCOc1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422912921 526951744 /nfs/dbraw/zinc/95/17/44/526951744.db2.gz XKDYRZKAODZYJR-QZTJIDSGSA-N 0 3 302.418 2.108 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341551437 526957798 /nfs/dbraw/zinc/95/77/98/526957798.db2.gz UGIOQXVIGAVDGK-OAHLLOKOSA-N 0 3 315.417 2.347 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000245695599 527019526 /nfs/dbraw/zinc/01/95/26/527019526.db2.gz MMDWIKTUCIQJBX-CABCVRRESA-N 0 3 324.428 2.189 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000294642516 527071888 /nfs/dbraw/zinc/07/18/88/527071888.db2.gz QPUZLWMHZHWXFO-CABCVRRESA-N 0 3 302.418 2.270 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000294581158 527072063 /nfs/dbraw/zinc/07/20/63/527072063.db2.gz VEKBQTSOHAXRSB-INIZCTEOSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000294642526 527079968 /nfs/dbraw/zinc/07/99/68/527079968.db2.gz QPUZLWMHZHWXFO-LSDHHAIUSA-N 0 3 302.418 2.270 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)CC2CCCC2)CC1 ZINC001368678088 1148570325 /nfs/dbraw/zinc/57/03/25/1148570325.db2.gz QFVRSFRZKLRZSR-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN C=CC[C@@H]1N(CC(=O)N(C)CC(=O)NCCC)CCCC1(C)C ZINC000444788797 527119941 /nfs/dbraw/zinc/11/99/41/527119941.db2.gz XVTFLRSBFSVPMD-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000341478428 527140642 /nfs/dbraw/zinc/14/06/42/527140642.db2.gz LLOWXQHSGQIQCJ-JCGVRSQUSA-N 0 3 315.417 2.432 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339620964 527280387 /nfs/dbraw/zinc/28/03/87/527280387.db2.gz YUOANTRMVJFILJ-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376533994 527414497 /nfs/dbraw/zinc/41/44/97/527414497.db2.gz CRKGOKRJZNUROP-KRWDZBQOSA-N 0 3 322.474 2.394 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000370494191 527455655 /nfs/dbraw/zinc/45/56/55/527455655.db2.gz ADMPABJLYQJCMF-QGZVFWFLSA-N 0 3 308.466 2.428 20 30 DEEDHN CC(C)(C#N)CCCCN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339411960 527460688 /nfs/dbraw/zinc/46/06/88/527460688.db2.gz KWKRXJMADLLPFP-HNNXBMFYSA-N 0 3 305.426 2.127 20 30 DEEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424182284 527767015 /nfs/dbraw/zinc/76/70/15/527767015.db2.gz GKQXDJOSJZPUIB-BZUAXINKSA-N 0 3 309.454 2.498 20 30 DEEDHN CC1CCN(CCNC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000427907818 528247510 /nfs/dbraw/zinc/24/75/10/528247510.db2.gz XMQXHVPAAXLCLZ-UHFFFAOYSA-N 0 3 306.797 2.068 20 30 DEEDHN CCCCN(C)CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000338061149 528343529 /nfs/dbraw/zinc/34/35/29/528343529.db2.gz YVLCWSLNADMGHT-UHFFFAOYSA-N 0 3 305.397 2.208 20 30 DEEDHN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000331244356 528826403 /nfs/dbraw/zinc/82/64/03/528826403.db2.gz OMSGVECSOOKSKZ-SWLSCSKDSA-N 0 3 321.396 2.271 20 30 DEEDHN CCN1CCC(NC(=O)N(C)Cc2nccn2C(F)F)CC1 ZINC000330483575 528958391 /nfs/dbraw/zinc/95/83/91/528958391.db2.gz ZXRPISXQTYRVDY-UHFFFAOYSA-N 0 3 315.368 2.108 20 30 DEEDHN CCC1(NC(=O)C(C)S(=O)(=O)C2CCOCC2)CCC1 ZINC000330152801 528980833 /nfs/dbraw/zinc/98/08/33/528980833.db2.gz MGXMFCOARCGHQL-NSHDSACASA-N 0 3 303.424 2.258 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc(C#N)s2)C1 ZINC000422233925 529073598 /nfs/dbraw/zinc/07/35/98/529073598.db2.gz ROIDIXIIYYIJLH-LBPRGKRZSA-N 0 3 306.435 2.244 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](OC)CC1 ZINC000374681661 536881409 /nfs/dbraw/zinc/88/14/09/536881409.db2.gz WTOKGKKKOGBZHD-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1ccncc1Cl ZINC001378972396 1152513372 /nfs/dbraw/zinc/51/33/72/1152513372.db2.gz XXFJHCCPPDFBDQ-FZMZJTMJSA-N 0 3 308.813 2.125 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnc(C2CC2)nc1)C(C)C ZINC001379002143 1152525016 /nfs/dbraw/zinc/52/50/16/1152525016.db2.gz OLHIBJLNYOIICQ-CQSZACIVSA-N 0 3 322.840 2.451 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001368691702 1148580221 /nfs/dbraw/zinc/58/02/21/1148580221.db2.gz VMIHRGNMHZPCNL-CYBMUJFWSA-N 0 3 314.857 2.118 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSC1CC1 ZINC000835065147 649874450 /nfs/dbraw/zinc/87/44/50/649874450.db2.gz LFZJLGHKGVPAPB-NSHDSACASA-N 0 3 304.371 2.238 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H](C)[C@H](NCc2ccnc(Cl)c2)C1 ZINC001327844722 1148657059 /nfs/dbraw/zinc/65/70/59/1148657059.db2.gz UEHXXMQHRLDAGD-DZGCQCFKSA-N 0 3 319.836 2.331 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001379414861 1152620877 /nfs/dbraw/zinc/62/08/77/1152620877.db2.gz VDTDUIYVJXCTGD-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835341182 649908486 /nfs/dbraw/zinc/90/84/86/649908486.db2.gz SGDXLLLNMHTHCA-UONOGXRCSA-N 0 3 322.792 2.480 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2cccnc2OC)C1 ZINC001330576583 1149202143 /nfs/dbraw/zinc/20/21/43/1149202143.db2.gz FPDYVGMOPJUVEV-CTYIDZIISA-N 0 3 303.406 2.041 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](C)NC(=O)[C@H](C)C#N)cc1C ZINC001379648093 1152663909 /nfs/dbraw/zinc/66/39/09/1152663909.db2.gz ZVKABPNKUTUVFU-ZIAGYGMSSA-N 0 3 303.406 2.100 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819734380 606746699 /nfs/dbraw/zinc/74/66/99/606746699.db2.gz NKQJZCJXZFXXCN-MRXNPFEDSA-N 0 3 315.421 2.404 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819734380 606746700 /nfs/dbraw/zinc/74/67/00/606746700.db2.gz NKQJZCJXZFXXCN-MRXNPFEDSA-N 0 3 315.421 2.404 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819734380 606746702 /nfs/dbraw/zinc/74/67/02/606746702.db2.gz NKQJZCJXZFXXCN-MRXNPFEDSA-N 0 3 315.421 2.404 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819734380 606746704 /nfs/dbraw/zinc/74/67/04/606746704.db2.gz NKQJZCJXZFXXCN-MRXNPFEDSA-N 0 3 315.421 2.404 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)ncn1 ZINC001025222516 625279967 /nfs/dbraw/zinc/27/99/67/625279967.db2.gz VJZZIPIMDSJFQJ-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC001023475588 625287302 /nfs/dbraw/zinc/28/73/02/625287302.db2.gz BALFYUICDDNIHD-OAHLLOKOSA-N 0 3 300.402 2.079 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001023475601 625287346 /nfs/dbraw/zinc/28/73/46/625287346.db2.gz BEIDXILXLUWBSY-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001025233514 625295297 /nfs/dbraw/zinc/29/52/97/625295297.db2.gz YSWHJQLPFDYPAW-CVEARBPZSA-N 0 3 314.433 2.201 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1coc(OC)n1 ZINC001025254403 625310446 /nfs/dbraw/zinc/31/04/46/625310446.db2.gz ITXBUPZIHSCKPT-GJZGRUSLSA-N 0 3 319.405 2.328 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001025267520 625314851 /nfs/dbraw/zinc/31/48/51/625314851.db2.gz PXFMHTPHYOWWJY-KGLIPLIRSA-N 0 3 306.385 2.194 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC001023572230 625331307 /nfs/dbraw/zinc/33/13/07/625331307.db2.gz YUJZLJDNVQLHAE-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2csc(C(C)C)n2)C1 ZINC001023651633 625374093 /nfs/dbraw/zinc/37/40/93/625374093.db2.gz YDPYHDLBFJSKIG-ZDUSSCGKSA-N 0 3 305.447 2.342 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc[nH]c2CC)C1 ZINC001025403712 625408050 /nfs/dbraw/zinc/40/80/50/625408050.db2.gz JIAMOOLYPINSRN-CABCVRRESA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(F)cccc2OC)C1 ZINC001025419550 625419151 /nfs/dbraw/zinc/41/91/51/625419151.db2.gz MLVRILPDFNKAEP-KGLIPLIRSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc3ccccc3n2)C1 ZINC001025439852 625437039 /nfs/dbraw/zinc/43/70/39/625437039.db2.gz NYXASYZZLQZQCE-HUUCEWRRSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001025448014 625444065 /nfs/dbraw/zinc/44/40/65/625444065.db2.gz 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/nfs/dbraw/zinc/18/76/65/624187665.db2.gz IUSMLSLCDABVDP-ZDUSSCGKSA-N 0 3 318.808 2.320 20 30 DEEDHN C#Cc1ccc(NC(=O)N[C@@H]2CCN(CCOC)C2)c(Cl)c1 ZINC000933367783 624189104 /nfs/dbraw/zinc/18/91/04/624189104.db2.gz LHARFWOCCMPMMA-CYBMUJFWSA-N 0 3 321.808 2.164 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001022077492 624192847 /nfs/dbraw/zinc/19/28/47/624192847.db2.gz PXUXCFSWLDASEO-BETUJISGSA-N 0 3 308.813 2.211 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001025639108 625713745 /nfs/dbraw/zinc/71/37/45/625713745.db2.gz VAARHNKSFCWRJA-CVEARBPZSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OCC=C)cc2)C[C@H]1C ZINC000947460663 624473769 /nfs/dbraw/zinc/47/37/69/624473769.db2.gz WXYYTRZZYQSFMQ-NVXWUHKLSA-N 0 3 312.413 2.467 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)ncn3C)C[C@@H]1C ZINC000947463276 624520123 /nfs/dbraw/zinc/52/01/23/624520123.db2.gz DYKOEKAWOBIGIW-HOCLYGCPSA-N 0 3 324.428 2.179 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2CCOC2)c1 ZINC000176090594 624623416 /nfs/dbraw/zinc/62/34/16/624623416.db2.gz AVEVZYRCRPOWRF-WFASDCNBSA-N 0 3 316.357 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]23CCO[C@H]2CCCC3)C1 ZINC001022415032 624644158 /nfs/dbraw/zinc/64/41/58/624644158.db2.gz OACFJKXMYAXVMW-KNCOVGOOSA-N 0 3 312.841 2.325 20 30 DEEDHN CCOC(=O)C1([C@H](C)NCC#Cc2ccccc2)CCOCC1 ZINC000933883913 624647843 /nfs/dbraw/zinc/64/78/43/624647843.db2.gz NCBZBUVRTSIZFU-INIZCTEOSA-N 0 3 315.413 2.376 20 30 DEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000891930814 624668771 /nfs/dbraw/zinc/66/87/71/624668771.db2.gz CSNCJWUKIYUQMK-RRQGHBQHSA-N 0 3 312.417 2.082 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001022469225 624680966 /nfs/dbraw/zinc/68/09/66/624680966.db2.gz XMGQBDRANXFVHH-LJISPDSOSA-N 0 3 312.841 2.323 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000998780308 634401881 /nfs/dbraw/zinc/40/18/81/634401881.db2.gz NHXVNAXTXQJYQU-WUCCLRPBSA-N 0 3 314.857 2.379 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000971895968 624697428 /nfs/dbraw/zinc/69/74/28/624697428.db2.gz LLABSBVRWMUXBA-ZBFHGGJFSA-N 0 3 320.820 2.362 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnn3cccc(Cl)c23)C1 ZINC000971905633 624700497 /nfs/dbraw/zinc/70/04/97/624700497.db2.gz XBVAIDZNLBEWKK-LBPRGKRZSA-N 0 3 318.808 2.320 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC000971938706 624723495 /nfs/dbraw/zinc/72/34/95/624723495.db2.gz WQXLPOCATCTPRT-FUHWJXTLSA-N 0 3 314.429 2.407 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001022552816 624724766 /nfs/dbraw/zinc/72/47/66/624724766.db2.gz JOBXMVACZGFBFM-PHIMTYICSA-N 0 3 301.228 2.322 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001022613475 624784240 /nfs/dbraw/zinc/78/42/40/624784240.db2.gz CSPJGEAWYNXZKT-BETUJISGSA-N 0 3 304.781 2.166 20 30 DEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051651267 624879341 /nfs/dbraw/zinc/87/93/41/624879341.db2.gz MQFBGXPNOXLRMS-MRXNPFEDSA-N 0 3 314.385 2.395 20 30 DEEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC ZINC000934527437 624909021 /nfs/dbraw/zinc/90/90/21/624909021.db2.gz AOQZVTHLULKSDU-OAHLLOKOSA-N 0 3 310.438 2.358 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C[C@@H]3CCCCO3)C2)C1 ZINC000972282941 624914306 /nfs/dbraw/zinc/91/43/06/624914306.db2.gz INBLULGIEWSHIA-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cnn(CC2CCC2)c1 ZINC000934562248 624921369 /nfs/dbraw/zinc/92/13/69/624921369.db2.gz OMJGADURJNLXRE-CQSZACIVSA-N 0 3 317.437 2.096 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 ZINC001027670783 634423183 /nfs/dbraw/zinc/42/31/83/634423183.db2.gz NMWHBYUGEDRYSD-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1 ZINC001027676650 634429434 /nfs/dbraw/zinc/42/94/34/634429434.db2.gz DCZDYLKBHCPQKR-QGZVFWFLSA-N 0 3 314.429 2.238 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COc2cc(C)cc(C)c2)C1 ZINC001027676998 634429930 /nfs/dbraw/zinc/42/99/30/634429930.db2.gz LSNGSDGYRMCQNY-QGZVFWFLSA-N 0 3 314.429 2.238 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001024780175 625051715 /nfs/dbraw/zinc/05/17/15/625051715.db2.gz NQAHFPRIOMEMII-IAGOWNOFSA-N 0 3 313.445 2.343 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(F)cc(OC)cc2F)C1 ZINC000972400003 625055886 /nfs/dbraw/zinc/05/58/86/625055886.db2.gz PWAVSLJPSPWTAQ-LLVKDONJSA-N 0 3 310.344 2.306 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)[C@@H]2C1 ZINC000978840686 634433228 /nfs/dbraw/zinc/43/32/28/634433228.db2.gz MWERONYYGLZKPF-XCDZQEORSA-N 0 3 308.425 2.026 20 30 DEEDHN C[C@@H]1C[C@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026007867 625110961 /nfs/dbraw/zinc/11/09/61/625110961.db2.gz KPSIYCRQDVSIAI-IGZUXUIZSA-N 0 3 309.413 2.151 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c(C)noc2C)C1 ZINC000972496914 625137897 /nfs/dbraw/zinc/13/78/97/625137897.db2.gz XZVYWPNUCPZLCW-WFASDCNBSA-N 0 3 305.422 2.189 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc3ncccc23)C[C@@H]1C ZINC000947536529 625142821 /nfs/dbraw/zinc/14/28/21/625142821.db2.gz HBPLALSTGAIWCQ-RDJZCZTQSA-N 0 3 321.424 2.380 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001025070459 625193293 /nfs/dbraw/zinc/19/32/93/625193293.db2.gz ZDIXCLYEELRYQP-RHSMWYFYSA-N 0 3 319.453 2.186 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001023364298 625238747 /nfs/dbraw/zinc/23/87/47/625238747.db2.gz IUVJQPHMTKXWOK-CYBMUJFWSA-N 0 3 317.458 2.404 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001023371699 625242549 /nfs/dbraw/zinc/24/25/49/625242549.db2.gz CRHUWEBEWOKWSN-OAHLLOKOSA-N 0 3 313.445 2.454 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001023371092 625242645 /nfs/dbraw/zinc/24/26/45/625242645.db2.gz RNBSUYPOXWTEJC-MRXNPFEDSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccnn2C2CCC2)C1 ZINC001023374648 625245652 /nfs/dbraw/zinc/24/56/52/625245652.db2.gz WEBNQHICYVRVFI-HNNXBMFYSA-N 0 3 314.433 2.073 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)on1 ZINC001025196298 625258828 /nfs/dbraw/zinc/25/88/28/625258828.db2.gz SKXRPGOIXXGKDJ-IAGOWNOFSA-N 0 3 315.417 2.465 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001023422150 625263478 /nfs/dbraw/zinc/26/34/78/625263478.db2.gz LAPRRCWEMNMKKQ-AWEZNQCLSA-N 0 3 311.385 2.211 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001023422151 625263788 /nfs/dbraw/zinc/26/37/88/625263788.db2.gz LAPRRCWEMNMKKQ-CQSZACIVSA-N 0 3 311.385 2.211 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccsc2COC)C1 ZINC001023444791 625271134 /nfs/dbraw/zinc/27/11/34/625271134.db2.gz WCKXPBJPGHYKJQ-AWEZNQCLSA-N 0 3 320.458 2.360 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001023446385 625271862 /nfs/dbraw/zinc/27/18/62/625271862.db2.gz OUDWHWQSKQVILY-HNNXBMFYSA-N 0 3 323.396 2.417 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000892464496 625745243 /nfs/dbraw/zinc/74/52/43/625745243.db2.gz DUXNFNKHOANYIT-UONOGXRCSA-N 0 3 306.406 2.493 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2c(C)noc2Cl)C1 ZINC001027699983 634454912 /nfs/dbraw/zinc/45/49/12/634454912.db2.gz OMGJCLXBXDPKOQ-CYBMUJFWSA-N 0 3 323.824 2.125 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001024495112 625816813 /nfs/dbraw/zinc/81/68/13/625816813.db2.gz DPBCUPWKRRAQHN-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001024510551 625828868 /nfs/dbraw/zinc/82/88/68/625828868.db2.gz QBYMIYKZUVMGDJ-OAHLLOKOSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@H](NCc2cnn(C)c2)C1)c1ccccc1 ZINC001019804817 625836001 /nfs/dbraw/zinc/83/60/01/625836001.db2.gz JSQUOBLIVAFWMD-ROUUACIJSA-N 0 3 324.428 2.080 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001024522044 625836114 /nfs/dbraw/zinc/83/61/14/625836114.db2.gz XXQYLZWIQGMNLC-INIZCTEOSA-N 0 3 316.449 2.246 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)c3cccnc3)C2)c1 ZINC001019932820 625851334 /nfs/dbraw/zinc/85/13/34/625851334.db2.gz LHHFRKUXYDOUCA-WKILWMFISA-N 0 3 324.359 2.143 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2cnc(C)o2)cc1 ZINC000892489466 625883520 /nfs/dbraw/zinc/88/35/20/625883520.db2.gz KNYUCYDBCNYUBY-OAHLLOKOSA-N 0 3 311.341 2.436 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccnc2OC(C)C)C1 ZINC001027705196 634463129 /nfs/dbraw/zinc/46/31/29/634463129.db2.gz AMJAITYTAXAZPV-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001024674972 625961629 /nfs/dbraw/zinc/96/16/29/625961629.db2.gz FIBNCEJZTNRFPH-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(F)c4occc43)[C@@H]2C1 ZINC000979075936 634491887 /nfs/dbraw/zinc/49/18/87/634491887.db2.gz XXENJJOCDDLAKA-QKDCVEJESA-N 0 3 312.344 2.113 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3c[nH]cc3-c3ccccc3)[C@@H]2C1 ZINC000979086230 634496450 /nfs/dbraw/zinc/49/64/50/634496450.db2.gz OECAIGUIYPWBFE-LUPIEILUSA-N 0 3 319.408 2.223 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(CC)nnc2C)C1 ZINC000999169056 634505318 /nfs/dbraw/zinc/50/53/18/634505318.db2.gz OJZYPZOCIPGYAU-UHFFFAOYSA-N 0 3 322.840 2.293 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cc(C)n[nH]3)C[C@@H]2C1 ZINC000979507423 634667325 /nfs/dbraw/zinc/66/73/25/634667325.db2.gz UJNNKEYCYZKCBY-BFHYXJOUSA-N 0 3 322.840 2.301 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)c3cnco3)C2)s1 ZINC000999841921 634684586 /nfs/dbraw/zinc/68/45/86/634684586.db2.gz ORMSIKDJKSEGBP-NSHDSACASA-N 0 3 316.386 2.002 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CC[C@H](OC)C3)CC2)CC1 ZINC001000191180 634783219 /nfs/dbraw/zinc/78/32/19/634783219.db2.gz JWQSOBLQTWYUPQ-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN Cc1ccc(N2CCC[C@@H](NCc3csc(C#N)c3)C2)nn1 ZINC000921701924 634784813 /nfs/dbraw/zinc/78/48/13/634784813.db2.gz VFXUPVGYEFYSAH-CQSZACIVSA-N 0 3 313.430 2.477 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001024689266 630691671 /nfs/dbraw/zinc/69/16/71/630691671.db2.gz DHCNACPTWQDPQS-MRXNPFEDSA-N 0 3 316.449 2.308 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1cccc(Cl)c1 ZINC000836196306 650062862 /nfs/dbraw/zinc/06/28/62/650062862.db2.gz APTRMEADMRVTOM-UHFFFAOYSA-N 0 3 307.825 2.137 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836408673 650088629 /nfs/dbraw/zinc/08/86/29/650088629.db2.gz WWLYANUMMIKUGL-HNNXBMFYSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001024700670 632933358 /nfs/dbraw/zinc/93/33/58/632933358.db2.gz DEJWNRSUYYXZHQ-SQNIBIBYSA-N 0 3 318.461 2.352 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001024706111 632935312 /nfs/dbraw/zinc/93/53/12/632935312.db2.gz SYPBGUQVIUQXBJ-INIZCTEOSA-N 0 3 324.428 2.479 20 30 DEEDHN Cc1ncc(CN[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)s1 ZINC000995778025 633116490 /nfs/dbraw/zinc/11/64/90/633116490.db2.gz PULTVMUIWXQNIV-OAHLLOKOSA-N 0 3 317.458 2.192 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974604981 633169522 /nfs/dbraw/zinc/16/95/22/633169522.db2.gz KDZYOZCINYROAV-GVDBMIGSSA-N 0 3 311.429 2.035 20 30 DEEDHN Cc1nc(CNC[C@@H]2CCN(C(=O)C#CC3CC3)C2)c(C)s1 ZINC001026834666 633172850 /nfs/dbraw/zinc/17/28/50/633172850.db2.gz KFHZROLVODUUEY-HNNXBMFYSA-N 0 3 317.458 2.111 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(C)(C)C1 ZINC000974618227 633177291 /nfs/dbraw/zinc/17/72/91/633177291.db2.gz NMYCKJJWQWQRQD-TWMKSMIVSA-N 0 3 300.446 2.439 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2sccc2CN(C)C)C(C)(C)C1 ZINC000974647110 633192940 /nfs/dbraw/zinc/19/29/40/633192940.db2.gz QWNRMCRHZHFAAJ-CQSZACIVSA-N 0 3 321.490 2.436 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2cnc(C)nc2)C(C)(C)C1 ZINC000996136790 633204204 /nfs/dbraw/zinc/20/42/04/633204204.db2.gz KFMGDJQFFLDUJY-HNNXBMFYSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000974793070 633302362 /nfs/dbraw/zinc/30/23/62/633302362.db2.gz SHXZZWJWEBGLEF-SJORKVTESA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)c(OC)c2)C(C)(C)C1 ZINC000974805404 633308054 /nfs/dbraw/zinc/30/80/54/633308054.db2.gz DKAKDJALGBMZCA-KRWDZBQOSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000974815842 633313948 /nfs/dbraw/zinc/31/39/48/633313948.db2.gz GSPAUYCWRHDYHN-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN Cc1nocc1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001027032574 633365189 /nfs/dbraw/zinc/36/51/89/633365189.db2.gz NGUHOMRGLIRGQO-CQSZACIVSA-N 0 3 324.384 2.107 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNCc3cc(C)no3)C2)C1 ZINC001027050971 633377798 /nfs/dbraw/zinc/37/77/98/633377798.db2.gz NHUAFEMWOJPLPU-CQSZACIVSA-N 0 3 303.406 2.277 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C(C)(C)C1 ZINC000974978998 633382073 /nfs/dbraw/zinc/38/20/73/633382073.db2.gz CAAWMHGYWHFMDO-SJORKVTESA-N 0 3 314.404 2.315 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc[nH]c2CCC)C(C)(C)C1 ZINC000974960183 633382746 /nfs/dbraw/zinc/38/27/46/633382746.db2.gz XCTBUFLIXCFGMY-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2ncc(Cl)n2C)CC1 ZINC000996877551 633488646 /nfs/dbraw/zinc/48/86/46/633488646.db2.gz QGJNQDMYEFZUHA-UHFFFAOYSA-N 0 3 324.856 2.366 20 30 DEEDHN CC[C@@H](F)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000996882421 633494330 /nfs/dbraw/zinc/49/43/30/633494330.db2.gz PLNGNECMWSWTAZ-MRXNPFEDSA-N 0 3 303.381 2.387 20 30 DEEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000125127314 633512974 /nfs/dbraw/zinc/51/29/74/633512974.db2.gz UJICKWOTNGCCFS-LBPRGKRZSA-N 0 3 324.296 2.259 20 30 DEEDHN C[C@H](Oc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125138215 633513450 /nfs/dbraw/zinc/51/34/50/633513450.db2.gz PETXTLFVZDYBST-GXTWGEPZSA-N 0 3 309.325 2.196 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3ccn(CC)n3)CC2)C1 ZINC000996973422 633550096 /nfs/dbraw/zinc/55/00/96/633550096.db2.gz GUCVYPLKXNAYGC-UHFFFAOYSA-N 0 3 316.449 2.340 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2csnc2C)CC1 ZINC000997035634 633562899 /nfs/dbraw/zinc/56/28/99/633562899.db2.gz VYTFNYNAETXDJM-GFCCVEGCSA-N 0 3 305.447 2.305 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000997039940 633563082 /nfs/dbraw/zinc/56/30/82/633563082.db2.gz CDRPRTVBAFIAFV-LBPRGKRZSA-N 0 3 313.239 2.276 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc(C3CC3)o2)CC1 ZINC000997142805 633626687 /nfs/dbraw/zinc/62/66/87/633626687.db2.gz VCJKGUCKXQXPBY-GFCCVEGCSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC000997149619 633640526 /nfs/dbraw/zinc/64/05/26/633640526.db2.gz QOJLPOOSSMRXTC-INMHGKMJSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccn(C)c2CC)CC1 ZINC000997303448 633704142 /nfs/dbraw/zinc/70/41/42/633704142.db2.gz HQGQSMBIXAAHHU-CQSZACIVSA-N 0 3 301.434 2.051 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001027411281 633749105 /nfs/dbraw/zinc/74/91/05/633749105.db2.gz OCWAICAFNZYYSC-OLZOCXBDSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2F)C1 ZINC001027422710 633761263 /nfs/dbraw/zinc/76/12/63/633761263.db2.gz MHQJRHVCXIRZQZ-LSDHHAIUSA-N 0 3 318.392 2.149 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H]2COc3ccccc32)CC1 ZINC000997449168 633764539 /nfs/dbraw/zinc/76/45/39/633764539.db2.gz NIEKEYWDBBCYPP-PBHICJAKSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001027468997 633840588 /nfs/dbraw/zinc/84/05/88/633840588.db2.gz RIERZANBPMBCKA-CJNGLKHVSA-N 0 3 317.433 2.341 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)c(OC)c2)C1 ZINC001027483137 633867821 /nfs/dbraw/zinc/86/78/21/633867821.db2.gz LNEBDPLDSAQGKB-INIZCTEOSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001027486108 633873407 /nfs/dbraw/zinc/87/34/07/633873407.db2.gz NFJDXRRSSXYJQP-QGZVFWFLSA-N 0 3 311.429 2.130 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001027487385 633874952 /nfs/dbraw/zinc/87/49/52/633874952.db2.gz SRODKKHIHFLRML-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)onc2C2CC2)C1 ZINC001027495375 633890067 /nfs/dbraw/zinc/89/00/67/633890067.db2.gz VIJKHKODPPXSAX-CQSZACIVSA-N 0 3 301.390 2.030 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC(C)C)cn2)[C@@H](C)C1 ZINC000946309607 633955177 /nfs/dbraw/zinc/95/51/77/633955177.db2.gz CAWWWJGVIUYGMD-HOCLYGCPSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001027514054 633960852 /nfs/dbraw/zinc/96/08/52/633960852.db2.gz AUZFYXWVPQJJSY-SNVBAGLBSA-N 0 3 314.216 2.491 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H](C)C2CCN(CC#C)CC2)cc1 ZINC000997779149 633971268 /nfs/dbraw/zinc/97/12/68/633971268.db2.gz OZVWICLITMBHAC-INIZCTEOSA-N 0 3 324.424 2.162 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(C(C)C)c2)C(C)(C)C1 ZINC000977453988 633993016 /nfs/dbraw/zinc/99/30/16/633993016.db2.gz BSOZYEIKNWJQMF-HNNXBMFYSA-N 0 3 304.438 2.480 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000997859542 634012875 /nfs/dbraw/zinc/01/28/75/634012875.db2.gz YWAMRFUNMFJEIF-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C)c2C)C(C)(C)C1 ZINC000977572134 634043273 /nfs/dbraw/zinc/04/32/73/634043273.db2.gz JHYPYPHOCWHVLI-INIZCTEOSA-N 0 3 301.434 2.105 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncoc2-c2ccon2)C[C@H]1C ZINC000947940486 634055470 /nfs/dbraw/zinc/05/54/70/634055470.db2.gz QQNSOJWYNFHZDU-VXGBXAGGSA-N 0 3 316.361 2.098 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cccc(=O)[nH]2)CC1 ZINC000997959923 634080370 /nfs/dbraw/zinc/08/03/70/634080370.db2.gz KPCZLOMGZGXELV-HNNXBMFYSA-N 0 3 315.417 2.127 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2CCC(O)CC2)CC1 ZINC000997989539 634097869 /nfs/dbraw/zinc/09/78/69/634097869.db2.gz FXPHCGOPIAHMRK-LXPRWKDFSA-N 0 3 320.477 2.264 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccnn2CCC)CC1 ZINC000998024667 634115686 /nfs/dbraw/zinc/11/56/86/634115686.db2.gz ZFQHIWITJUKVEG-MRXNPFEDSA-N 0 3 316.449 2.243 20 30 DEEDHN C#CCOc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000836870514 650139703 /nfs/dbraw/zinc/13/97/03/650139703.db2.gz VHXLHNOQIIBGRM-HUUCEWRRSA-N 0 3 300.402 2.188 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccn(C)c2C)CC1 ZINC000998117527 634145652 /nfs/dbraw/zinc/14/56/52/634145652.db2.gz RYPAEGODCJGXDV-INIZCTEOSA-N 0 3 301.434 2.283 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCCN(CC#CC)CC1 ZINC000998129323 634149962 /nfs/dbraw/zinc/14/99/62/634149962.db2.gz HIUWCDAHJZPBJG-KSZLIROESA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(F)F)CC[C@H]1C(F)(F)F ZINC000998214345 634169859 /nfs/dbraw/zinc/16/98/59/634169859.db2.gz FIPVARMAAYMXLC-RKDXNWHRSA-N 0 3 300.271 2.197 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cscn2)CC[C@H]1C(F)(F)F ZINC000998223962 634173795 /nfs/dbraw/zinc/17/37/95/634173795.db2.gz APHCAURZDUDLSO-NXEZZACHSA-N 0 3 319.352 2.312 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)C4=CCCC4)[C@@H]3C2)c1 ZINC000978017949 634196730 /nfs/dbraw/zinc/19/67/30/634196730.db2.gz CSULGJCRMPMLSP-LDLYASANSA-N 0 3 321.424 2.463 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836921351 650145732 /nfs/dbraw/zinc/14/57/32/650145732.db2.gz ZRGTYCZZPRWMLC-DLBZAZTESA-N 0 3 314.429 2.005 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(OC)c2C)C1 ZINC001027597574 634252558 /nfs/dbraw/zinc/25/25/58/634252558.db2.gz LWKJYSSNXJWEST-HNNXBMFYSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c(C)noc2C)C1 ZINC001027604011 634261936 /nfs/dbraw/zinc/26/19/36/634261936.db2.gz CCGAZPUQJWDPGU-XJKSGUPXSA-N 0 3 317.433 2.026 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc(C)nc2C(C)C)C1 ZINC001027603828 634262037 /nfs/dbraw/zinc/26/20/37/634262037.db2.gz OINUAUAAYYKSDX-OAHLLOKOSA-N 0 3 314.433 2.078 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)c2ccoc2)C1 ZINC000998448061 634275410 /nfs/dbraw/zinc/27/54/10/634275410.db2.gz PVTIOOQPJXRLKI-UHFFFAOYSA-N 0 3 313.195 2.381 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3occc3-c3ccccc3)[C@@H]2C1 ZINC000978469033 634322528 /nfs/dbraw/zinc/32/25/28/634322528.db2.gz SEHPLPQGAVVVFJ-NNZMDNLPSA-N 0 3 320.392 2.487 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001027630972 634340265 /nfs/dbraw/zinc/34/02/65/634340265.db2.gz LNKNRMBNDNBSBA-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4c(ccc(C)c4C)[nH]3)[C@@H]2C1 ZINC000978603612 634372371 /nfs/dbraw/zinc/37/23/71/634372371.db2.gz XPZSAFSZQHMLIR-OSYLJGHBSA-N 0 3 321.424 2.326 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001027882825 634856121 /nfs/dbraw/zinc/85/61/21/634856121.db2.gz WSRBFLAHJFMFBR-STQMWFEESA-N 0 3 322.840 2.163 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3[nH]cnc3C)C[C@H]2C1 ZINC000980280682 634928486 /nfs/dbraw/zinc/92/84/86/634928486.db2.gz UVCFNWAHAOEJEN-MELADBBJSA-N 0 3 322.840 2.301 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001027910309 634941121 /nfs/dbraw/zinc/94/11/21/634941121.db2.gz LFQOZHLOKPUAPP-HNNXBMFYSA-N 0 3 324.380 2.011 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC000980334413 634958422 /nfs/dbraw/zinc/95/84/22/634958422.db2.gz WFPJODMDVLBNPS-CVEARBPZSA-N 0 3 302.418 2.481 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001027917797 634963048 /nfs/dbraw/zinc/96/30/48/634963048.db2.gz JMOISNHVFKPCNB-CQSZACIVSA-N 0 3 316.401 2.228 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001027925705 634982614 /nfs/dbraw/zinc/98/26/14/634982614.db2.gz YIHKOHMDKHQKMX-AWEZNQCLSA-N 0 3 313.405 2.037 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC000980444875 635001463 /nfs/dbraw/zinc/00/14/63/635001463.db2.gz CTYHWGKWSSRVSR-LBPRGKRZSA-N 0 3 300.362 2.002 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC000980529626 635038515 /nfs/dbraw/zinc/03/85/15/635038515.db2.gz CHAJUWWMPDOQQH-APWZRJJASA-N 0 3 314.429 2.193 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc4c(c3)COC4)CC2)CC1 ZINC001000283944 635128834 /nfs/dbraw/zinc/12/88/34/635128834.db2.gz GOOUAASISTYPDP-UHFFFAOYSA-N 0 3 324.424 2.324 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCCC[C@H]3OC)CC2)CC1 ZINC001000338243 635146069 /nfs/dbraw/zinc/14/60/69/635146069.db2.gz RVZAKRIDZWZWNE-IAGOWNOFSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028019145 635260874 /nfs/dbraw/zinc/26/08/74/635260874.db2.gz OQOOUVDWRFURQU-LLVKDONJSA-N 0 3 311.838 2.322 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(CC)ncnc2CC)C[C@@H]1C ZINC000947726189 635291830 /nfs/dbraw/zinc/29/18/30/635291830.db2.gz KDHNLUXJDQIWLP-UONOGXRCSA-N 0 3 316.449 2.370 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1 ZINC000981215199 635375042 /nfs/dbraw/zinc/37/50/42/635375042.db2.gz RPTQZZQASAJOLV-UHFFFAOYSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnc3cc(C)ccn32)CC1 ZINC000981236901 635395119 /nfs/dbraw/zinc/39/51/19/635395119.db2.gz LARSDDMWXJEWOM-UHFFFAOYSA-N 0 3 312.417 2.367 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn(C)nc2C2CC2)CC1 ZINC000981254328 635410586 /nfs/dbraw/zinc/41/05/86/635410586.db2.gz JUCNFPWWZCBGRE-UHFFFAOYSA-N 0 3 302.422 2.022 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000981300122 635427591 /nfs/dbraw/zinc/42/75/91/635427591.db2.gz JFWNGLOYMSYVQJ-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000981338928 635443859 /nfs/dbraw/zinc/44/38/59/635443859.db2.gz RZRLBOZVOPAYIK-UHFFFAOYSA-N 0 3 322.412 2.044 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2snnc2C(C)C)CC1 ZINC001001290711 635452061 /nfs/dbraw/zinc/45/20/61/635452061.db2.gz NLHWWFQBBWYJOU-UHFFFAOYSA-N 0 3 306.435 2.209 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nc3ccccn3c2F)CC1 ZINC001001339748 635467970 /nfs/dbraw/zinc/46/79/70/635467970.db2.gz XISIDZMXRQFUCF-UHFFFAOYSA-N 0 3 314.364 2.021 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CC(C)(C)OC1(C)C)C1CCN(C)CC1 ZINC000921835219 635478924 /nfs/dbraw/zinc/47/89/24/635478924.db2.gz QLQZULZADOQUNO-OAHLLOKOSA-N 0 3 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DEEDHN C#CCN1C[C@]2(C)CN(C(=O)CC[C@H]3CC[C@@H](C)O3)C[C@]2(C)C1 ZINC000982820886 636488470 /nfs/dbraw/zinc/48/84/70/636488470.db2.gz PSUWCQFZYRNBJQ-RWQQGDIJSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(C)noc2C(C)C)C1 ZINC001028608417 636501317 /nfs/dbraw/zinc/50/13/17/636501317.db2.gz PSKKTWDITUSQRR-AWEZNQCLSA-N 0 3 303.406 2.181 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001028646689 636544534 /nfs/dbraw/zinc/54/45/34/636544534.db2.gz ZQTPTYJLVMTDSQ-HOCLYGCPSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001028658818 636567968 /nfs/dbraw/zinc/56/79/68/636567968.db2.gz HYZLUIVYOWGPCO-OAHLLOKOSA-N 0 3 316.449 2.101 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001028663977 636579313 /nfs/dbraw/zinc/57/93/13/636579313.db2.gz AWOWYSNCTOGLPQ-CQSZACIVSA-N 0 3 319.474 2.335 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001028671348 636595389 /nfs/dbraw/zinc/59/53/89/636595389.db2.gz 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C=CC(C)(C)C(=O)N1CCC([C@H](C)NCc2nccn2C)CC1 ZINC001029125822 637265782 /nfs/dbraw/zinc/26/57/82/637265782.db2.gz ITBLDHVDCHJGDM-AWEZNQCLSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn(CC)c2C)CC1 ZINC001006176087 637267887 /nfs/dbraw/zinc/26/78/87/637267887.db2.gz GDNWWABPYMLUMR-UHFFFAOYSA-N 0 3 304.438 2.324 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000983737797 637268072 /nfs/dbraw/zinc/26/80/72/637268072.db2.gz ROGJNVWLVIHIBV-WJYNOGRTSA-N 0 3 308.385 2.185 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cccc3nsnc32)CC1 ZINC001006237028 637291104 /nfs/dbraw/zinc/29/11/04/637291104.db2.gz YYIOQOOCJGTWSX-UHFFFAOYSA-N 0 3 316.430 2.414 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC(F)(F)C1 ZINC001029245514 637475866 /nfs/dbraw/zinc/47/58/66/637475866.db2.gz WSPCWQBGROOTPT-XDQVBPFNSA-N 0 3 311.376 2.257 20 30 DEEDHN C=CCONC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000838703739 637634142 /nfs/dbraw/zinc/63/41/42/637634142.db2.gz PBCZOPCXZYWJQZ-MRXNPFEDSA-N 0 3 303.406 2.458 20 30 DEEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895156984 637685633 /nfs/dbraw/zinc/68/56/33/637685633.db2.gz JRPVLYZACCGZHL-MPESAESLSA-N 0 3 304.390 2.157 20 30 DEEDHN CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158149 637687469 /nfs/dbraw/zinc/68/74/69/637687469.db2.gz XMBDAIXVEFAAPU-QWHCGFSZSA-N 0 3 314.426 2.104 20 30 DEEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCCN([O-])C1=O)CC3 ZINC000895162273 637698054 /nfs/dbraw/zinc/69/80/54/637698054.db2.gz JPJOGOTYYGDUGH-SJCJKPOMSA-N 0 3 313.401 2.303 20 30 DEEDHN COc1ccc(CNC[C@H](O)COc2ccccc2)cc1C#N ZINC000742366834 638063936 /nfs/dbraw/zinc/06/39/36/638063936.db2.gz VRJSUGKYZGLZPA-INIZCTEOSA-N 0 3 312.369 2.096 20 30 DEEDHN COc1ccc(CNC[C@@H](O)COc2ccccc2)cc1C#N ZINC000742366835 638064447 /nfs/dbraw/zinc/06/44/47/638064447.db2.gz VRJSUGKYZGLZPA-MRXNPFEDSA-N 0 3 312.369 2.096 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000895723389 638166878 /nfs/dbraw/zinc/16/68/78/638166878.db2.gz LLGLOALNHHUAOV-BBRMVZONSA-N 0 3 303.406 2.352 20 30 DEEDHN COCCOc1ccc(CN[C@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000895861248 638227665 /nfs/dbraw/zinc/22/76/65/638227665.db2.gz OGCNSWWAXMKKPL-INIZCTEOSA-N 0 3 312.369 2.433 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000745738707 638287136 /nfs/dbraw/zinc/28/71/36/638287136.db2.gz XTOVFGVMBAZADX-IEBWSBKVSA-N 0 3 323.440 2.490 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000896208318 638416618 /nfs/dbraw/zinc/41/66/18/638416618.db2.gz COBMBACMGHPWBY-MRXNPFEDSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001029511481 639012824 /nfs/dbraw/zinc/01/28/24/639012824.db2.gz NOEFVGXCAQNJFN-NRKLIOEPSA-N 0 3 324.440 2.391 20 30 DEEDHN C#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000728806347 639415879 /nfs/dbraw/zinc/41/58/79/639415879.db2.gz YVDMKXMMUGHAJC-UHFFFAOYSA-N 0 3 319.408 2.457 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001029801773 639490519 /nfs/dbraw/zinc/49/05/19/639490519.db2.gz QYJFCXQZNJXKJA-HNNXBMFYSA-N 0 3 316.449 2.278 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C(C)(C)F ZINC000985868015 639670707 /nfs/dbraw/zinc/67/07/07/639670707.db2.gz PWQPOISRLPIUSA-GWCFXTLKSA-N 0 3 309.410 2.447 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=S)Nc1ccccc1C#N ZINC000757539250 639845071 /nfs/dbraw/zinc/84/50/71/639845071.db2.gz ASLKEPMKEODFAT-ABAIWWIYSA-N 0 3 300.431 2.327 20 30 DEEDHN C[C@H]1[C@@H](NCc2cccc(Cl)n2)CCN1C(=O)C#CC1CC1 ZINC000986275150 639867067 /nfs/dbraw/zinc/86/70/67/639867067.db2.gz GPJMMBUBIAVXHE-WFASDCNBSA-N 0 3 317.820 2.227 20 30 DEEDHN C[C@@H]1[C@H](NCc2cccc(Cl)n2)CCN1C(=O)C#CC1CC1 ZINC000986275139 639867151 /nfs/dbraw/zinc/86/71/51/639867151.db2.gz GPJMMBUBIAVXHE-IUODEOHRSA-N 0 3 317.820 2.227 20 30 DEEDHN C[C@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)c1cc[nH]c1 ZINC000986300132 639874730 /nfs/dbraw/zinc/87/47/30/639874730.db2.gz ICAHZYDPDQJCCB-XHDPSFHLSA-N 0 3 314.414 2.341 20 30 DEEDHN N#Cc1ccc(NCCNCc2cccc3c2OCCCO3)nc1 ZINC000897399042 640016967 /nfs/dbraw/zinc/01/69/67/640016967.db2.gz XJRWNQCNXVSLPW-UHFFFAOYSA-N 0 3 324.384 2.316 20 30 DEEDHN C=CCc1ccc(OCC(=O)C(C#N)c2ccncn2)c(OC)c1 ZINC000760340770 640182134 /nfs/dbraw/zinc/18/21/34/640182134.db2.gz NWTHGKMOCKTWFF-AWEZNQCLSA-N 0 3 323.352 2.469 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)c1cocn1 ZINC000988303320 640390605 /nfs/dbraw/zinc/39/06/05/640390605.db2.gz NDLXVCWAYCWBTI-QWRGUYRKSA-N 0 3 316.386 2.001 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988631943 640556387 /nfs/dbraw/zinc/55/63/87/640556387.db2.gz IZGBJOMCXJIUCU-ABAIWWIYSA-N 0 3 314.414 2.341 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763926034 640585593 /nfs/dbraw/zinc/58/55/93/640585593.db2.gz VJYMAFRMHNNRSH-YPMHNXCESA-N 0 3 319.368 2.278 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2coc3cc(F)ccc23)C1 ZINC000988804974 640667055 /nfs/dbraw/zinc/66/70/55/640667055.db2.gz NFHUKFKEBJCPOM-SWLSCSKDSA-N 0 3 314.360 2.327 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000988978275 640700438 /nfs/dbraw/zinc/70/04/38/640700438.db2.gz JXONUSPQFVGENQ-KBPBESRZSA-N 0 3 317.433 2.117 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)c1cnco1 ZINC000989260638 640770435 /nfs/dbraw/zinc/77/04/35/640770435.db2.gz PUKRPEXYZIEPCI-GHMZBOCLSA-N 0 3 316.386 2.001 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC000989380408 640832339 /nfs/dbraw/zinc/83/23/39/640832339.db2.gz BSPTYGBZNRURCH-TZMCWYRMSA-N 0 3 311.385 2.002 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000989383996 640834517 /nfs/dbraw/zinc/83/45/17/640834517.db2.gz MASSWFPRWNCBKQ-VHSXEESVSA-N 0 3 312.747 2.444 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H](NCc3cncn3C)C[C@H]2C)CC1 ZINC000989402868 640849273 /nfs/dbraw/zinc/84/92/73/640849273.db2.gz RSNQQWJTNSVXEU-ZBFHGGJFSA-N 0 3 316.449 2.246 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H](NCc3cncn3C)C[C@@H]2C)CC1 ZINC000989402866 640849285 /nfs/dbraw/zinc/84/92/85/640849285.db2.gz RSNQQWJTNSVXEU-HOCLYGCPSA-N 0 3 316.449 2.246 20 30 DEEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000729889644 640850888 /nfs/dbraw/zinc/85/08/88/640850888.db2.gz TZIXMBPNYIMDMP-SNVBAGLBSA-N 0 3 310.712 2.329 20 30 DEEDHN COCCO[C@]12CCC[C@@]1(NCc1cc(C#N)cs1)CCO2 ZINC000898000861 640988745 /nfs/dbraw/zinc/98/87/45/640988745.db2.gz DJXITHUIZYEFCD-HZPDHXFCSA-N 0 3 322.430 2.412 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2csc(C(C)(C)C)n2)C1 ZINC000989548885 641146586 /nfs/dbraw/zinc/14/65/86/641146586.db2.gz BOLAOEKGXAAMIB-VXGBXAGGSA-N 0 3 305.447 2.266 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000989591783 641159927 /nfs/dbraw/zinc/15/99/27/641159927.db2.gz CPSGPDNAEOKBGT-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnn(C3CCCCC3)c2)C1 ZINC000989652063 641183639 /nfs/dbraw/zinc/18/36/39/641183639.db2.gz HADKQVAXJNHILQ-ZBFHGGJFSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC000989718654 641207369 /nfs/dbraw/zinc/20/73/69/641207369.db2.gz NORCGZWUXYDLIR-WBVHZDCISA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccccc2Cl)C1 ZINC000989766370 641221560 /nfs/dbraw/zinc/22/15/60/641221560.db2.gz PWYFDAVRYCMLLT-DZGCQCFKSA-N 0 3 304.821 2.485 20 30 DEEDHN C#CCCN1CCCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000989782852 641228115 /nfs/dbraw/zinc/22/81/15/641228115.db2.gz YDNGUKZUTSZHCP-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3cccs3)CCC[C@H]12 ZINC000989915858 641289750 /nfs/dbraw/zinc/28/97/50/641289750.db2.gz LAWMQHFIJCKMLK-RDJZCZTQSA-N 0 3 302.443 2.427 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cn1 ZINC000770046689 641325620 /nfs/dbraw/zinc/32/56/20/641325620.db2.gz IHLNKSKUHVZTMI-KSSFIOAISA-N 0 3 307.397 2.484 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)nc1 ZINC000770049021 641326852 /nfs/dbraw/zinc/32/68/52/641326852.db2.gz NTGMFMHTMLSQRX-KDOFPFPSSA-N 0 3 307.397 2.484 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(NCc2cc(O)ccc2Cl)CC1 ZINC000990313751 641442088 /nfs/dbraw/zinc/44/20/88/641442088.db2.gz IRIMAFYTEQSMQX-LLVKDONJSA-N 0 3 321.808 2.286 20 30 DEEDHN CCOC(=O)N[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000041515395 641588484 /nfs/dbraw/zinc/58/84/84/641588484.db2.gz FYDWYLJDIGQBOH-WDEREUQCSA-N 0 3 309.391 2.399 20 30 DEEDHN N#CC(C(=O)[C@@H]1C[C@@]1(F)c1ccccc1)C(=O)N1CCCC1 ZINC000842285711 650693690 /nfs/dbraw/zinc/69/36/90/650693690.db2.gz RPOAWHFNHXWONC-JKIFEVAISA-N 0 3 300.333 2.203 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CCC(=O)CC2)c1 ZINC000773975924 641847645 /nfs/dbraw/zinc/84/76/45/641847645.db2.gz NUTWLASZEOKVAN-OAHLLOKOSA-N 0 3 314.341 2.102 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000775805650 642099962 /nfs/dbraw/zinc/09/99/62/642099962.db2.gz HLPCVMRDFOLCLY-CABCVRRESA-N 0 3 306.793 2.439 20 30 DEEDHN CN(C)[C@@H](CNC(=O)c1cccc(C#CCO)c1)c1ccccc1 ZINC000899942975 642217709 /nfs/dbraw/zinc/21/77/09/642217709.db2.gz UTWOQDXZSNWTIQ-IBGZPJMESA-N 0 3 322.408 2.063 20 30 DEEDHN CC(C)OCCN=NC1CCN(Cc2ccccn2)C[C@H]1C ZINC000778550514 642405500 /nfs/dbraw/zinc/40/55/00/642405500.db2.gz OLMWWWCEGOQYGV-OAHLLOKOSA-N 0 3 304.438 2.294 20 30 DEEDHN C[C@@H]1CC(NN=Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000901311723 642621108 /nfs/dbraw/zinc/62/11/08/642621108.db2.gz QQZNTLZBOIILHT-HUUCEWRRSA-N 0 3 317.433 2.403 20 30 DEEDHN CN(C)c1ccc([C@@H](CNC[C@H](C#N)CCC#N)N(C)C)cc1 ZINC000901706282 642762795 /nfs/dbraw/zinc/76/27/95/642762795.db2.gz KAPUNWOGSAPGQO-MAUKXSAKSA-N 0 3 313.449 2.388 20 30 DEEDHN COc1ccc(OC)c([C@@H](O)CN2CCC(CC#N)CC2)c1 ZINC000782088411 642824641 /nfs/dbraw/zinc/82/46/41/642824641.db2.gz KUPRFTCJJJJMEZ-INIZCTEOSA-N 0 3 304.390 2.363 20 30 DEEDHN C=CCc1cc(OC)cc(CN(CCOC)[C@@H]2CCOC2)c1O ZINC000782954302 642945640 /nfs/dbraw/zinc/94/56/40/642945640.db2.gz MPSAWXPYZGFRLB-MRXNPFEDSA-N 0 3 321.417 2.367 20 30 DEEDHN N#CC(C(=O)[C@H]1CCc2ncncc2C1)c1nc2ccccc2[nH]1 ZINC000842676808 650802075 /nfs/dbraw/zinc/80/20/75/650802075.db2.gz MPJQYAMKYMYCCL-WCQYABFASA-N 0 3 317.352 2.334 20 30 DEEDHN N#CC(C(=O)[C@H]1CCc2ncncc2C1)c1nc2ccccc2[nH]1 ZINC000842676806 650802306 /nfs/dbraw/zinc/80/23/06/650802306.db2.gz MPJQYAMKYMYCCL-AAEUAGOBSA-N 0 3 317.352 2.334 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000783347947 642996347 /nfs/dbraw/zinc/99/63/47/642996347.db2.gz UMTUWVWPXYVNGO-HZSPNIEDSA-N 0 3 306.406 2.397 20 30 DEEDHN C=CCc1cc(CN2CCC[C@@H]2C2OCCO2)c(O)c(OC)c1 ZINC000902621921 643087677 /nfs/dbraw/zinc/08/76/77/643087677.db2.gz GRAUFZVSUPTZIY-OAHLLOKOSA-N 0 3 319.401 2.467 20 30 DEEDHN Cc1cn(C)nc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000902689333 643113573 /nfs/dbraw/zinc/11/35/73/643113573.db2.gz FOFNEJGFLIOPGC-UHFFFAOYSA-N 0 3 314.389 2.116 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCCc1ncn(C)n1 ZINC000842738264 650814474 /nfs/dbraw/zinc/81/44/74/650814474.db2.gz BIWLLVLJNBEPCP-UHFFFAOYSA-N 0 3 318.808 2.203 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000903400884 643344977 /nfs/dbraw/zinc/34/49/77/643344977.db2.gz YHHHLCJPUSDGIP-KFWWJZLASA-N 0 3 302.422 2.485 20 30 DEEDHN N#Cc1cnc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000903940524 643522172 /nfs/dbraw/zinc/52/21/72/643522172.db2.gz GJJWZQUPDBRXJS-CYBMUJFWSA-N 0 3 312.398 2.475 20 30 DEEDHN CCOC(=O)C(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000805853148 643545717 /nfs/dbraw/zinc/54/57/17/643545717.db2.gz GUANABYJNNEOFK-ZDUSSCGKSA-N 0 3 316.357 2.313 20 30 DEEDHN CN(CCCCO)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000788278124 643586301 /nfs/dbraw/zinc/58/63/01/643586301.db2.gz CAYDDBYHRZVFIV-LBPRGKRZSA-N 0 3 317.414 2.177 20 30 DEEDHN C#CCOc1ccc(CNC[C@@](O)(CC)C(F)(F)F)cc1 ZINC000905282475 643856801 /nfs/dbraw/zinc/85/68/01/643856801.db2.gz ZYGAEVISBLUURL-AWEZNQCLSA-N 0 3 301.308 2.492 20 30 DEEDHN N#Cc1ccc([C@H](O)CNCc2cccc3c2OCCO3)cc1 ZINC000905705700 644009006 /nfs/dbraw/zinc/00/90/06/644009006.db2.gz RLFGJVFDSNOBEH-MRXNPFEDSA-N 0 3 310.353 2.153 20 30 DEEDHN C#CCN(C(=O)c1c(F)cc(C)cc1F)C1CCN(C)CC1 ZINC000906452243 644254525 /nfs/dbraw/zinc/25/45/25/644254525.db2.gz NSLWNKZBURHFOY-UHFFFAOYSA-N 0 3 306.356 2.443 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000906651035 644308420 /nfs/dbraw/zinc/30/84/20/644308420.db2.gz NPRIWYJQBKBSPZ-KRWDZBQOSA-N 0 3 311.429 2.413 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794604754 644443596 /nfs/dbraw/zinc/44/35/96/644443596.db2.gz NGQCRLICDAMDKR-QZTJIDSGSA-N 0 3 317.433 2.096 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@H]1N(C)C ZINC000907146473 644461682 /nfs/dbraw/zinc/46/16/82/644461682.db2.gz LRVYENBRJKMDAR-SASFAUDUSA-N 0 3 321.490 2.210 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1 ZINC000907518272 644574362 /nfs/dbraw/zinc/57/43/62/644574362.db2.gz DHPNICGJPFNOKB-NFGWICIOSA-N 0 3 300.402 2.333 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCC1(O)CCOCC1 ZINC000796466724 644742303 /nfs/dbraw/zinc/74/23/03/644742303.db2.gz QFUNTWJMVPDURL-UHFFFAOYSA-N 0 3 323.820 2.373 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3cnccc3C)CCC[C@H]12 ZINC000991116136 644771798 /nfs/dbraw/zinc/77/17/98/644771798.db2.gz ITRNIZWWCTWZOE-PKOBYXMFSA-N 0 3 311.429 2.069 20 30 DEEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@](C)(C(=O)NC)C1 ZINC000797604191 644901866 /nfs/dbraw/zinc/90/18/66/644901866.db2.gz ATKDVAXJNRSAPA-QGZVFWFLSA-N 0 3 320.820 2.310 20 30 DEEDHN CN1CCN(C(=O)CC2(C#N)CCOCC2)CC12CCCCC2 ZINC000908574802 644915086 /nfs/dbraw/zinc/91/50/86/644915086.db2.gz GGUSJOUZNOPSMX-UHFFFAOYSA-N 0 3 319.449 2.174 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000843416683 650970771 /nfs/dbraw/zinc/97/07/71/650970771.db2.gz WOAJVEIFALWBJU-GOEBONIOSA-N 0 3 323.400 2.454 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000798544988 645035051 /nfs/dbraw/zinc/03/50/51/645035051.db2.gz NGPJTMRPYUBVLQ-RYQLBKOJSA-N 0 3 313.445 2.464 20 30 DEEDHN N#Cc1ccnc(COC(=O)CCN2CCc3ccccc3C2)c1 ZINC000909258503 645149089 /nfs/dbraw/zinc/14/90/89/645149089.db2.gz ZEPICGXPBWKZPQ-UHFFFAOYSA-N 0 3 321.380 2.445 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000801914821 645461353 /nfs/dbraw/zinc/46/13/53/645461353.db2.gz FOBTXUWVCOTTBX-AWEZNQCLSA-N 0 3 307.438 2.076 20 30 DEEDHN C[C@@H](NCCO[C@@H](C)C#N)c1cccc(N2CCCC2=O)c1 ZINC000801938027 645465245 /nfs/dbraw/zinc/46/52/45/645465245.db2.gz XWQBLKGVLOLSGJ-UONOGXRCSA-N 0 3 301.390 2.393 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@H](OCCOC)C2)cc1 ZINC000802652098 645540110 /nfs/dbraw/zinc/54/01/10/645540110.db2.gz LJUMETMDTYHUPX-GOSISDBHSA-N 0 3 303.402 2.326 20 30 DEEDHN CN(C)CCN1c2ccccc2C(=NNc2ccccc2)C1=O ZINC000807942214 646010182 /nfs/dbraw/zinc/01/01/82/646010182.db2.gz MGNRJVMCHKCXDO-UHFFFAOYSA-N 0 3 308.385 2.411 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)NCCC)c1 ZINC000912301903 646015264 /nfs/dbraw/zinc/01/52/64/646015264.db2.gz VCDGUEBCYMYFSV-HNNXBMFYSA-N 0 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/nfs/dbraw/zinc/90/90/14/648909014.db2.gz WENLZUKNVIERRR-OAHLLOKOSA-N 0 3 303.406 2.241 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC000940795799 648947946 /nfs/dbraw/zinc/94/79/46/648947946.db2.gz TWPLYLCKDAEXRM-INIZCTEOSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cnccc3c2)C[C@@H]1C ZINC000947890593 648953420 /nfs/dbraw/zinc/95/34/20/648953420.db2.gz IOADJNUDNPGNOE-KBXCAEBGSA-N 0 3 307.397 2.451 20 30 DEEDHN N#CC1(c2ccc(CN3CC[C@@H](N4CCOC4=O)C3)cc2)CC1 ZINC000827001736 648959409 /nfs/dbraw/zinc/95/94/09/648959409.db2.gz YNRHAYLWSHTVOQ-MRXNPFEDSA-N 0 3 311.385 2.268 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000940885554 648962174 /nfs/dbraw/zinc/96/21/74/648962174.db2.gz CTZOSILZZRLNRD-CVEARBPZSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)n2)C(C)(C)C1 ZINC000941075960 648994339 /nfs/dbraw/zinc/99/43/39/648994339.db2.gz RMMNKKVXKWFZAM-HNNXBMFYSA-N 0 3 314.433 2.370 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CC#CC)CC1(C)C ZINC000941093091 648999585 /nfs/dbraw/zinc/99/95/85/648999585.db2.gz JBFOJZBXSBYLPV-BBWFWOEESA-N 0 3 318.461 2.208 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C(C)(C)C1 ZINC000941078626 649000382 /nfs/dbraw/zinc/00/03/82/649000382.db2.gz HCPDTOTUDIIZOW-HNNXBMFYSA-N 0 3 314.433 2.370 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2OC)C(C)(C)C1 ZINC000941181465 649013869 /nfs/dbraw/zinc/01/38/69/649013869.db2.gz UYNYNIIFOOISFH-AWEZNQCLSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)Cc2ccc(C)nc2)C(C)(C)C1 ZINC000941214820 649020735 /nfs/dbraw/zinc/02/07/35/649020735.db2.gz DOEMSUOFNRXHSZ-MRXNPFEDSA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CC23CCOCC3)C(C)(C)C1 ZINC000941259150 649030524 /nfs/dbraw/zinc/03/05/24/649030524.db2.gz PGZYDHVCCWWSBI-HUUCEWRRSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCC1(C(=O)N2CCC(N3CCN(C)CC3)CC2)CCCC1 ZINC000827435751 649034008 /nfs/dbraw/zinc/03/40/08/649034008.db2.gz VKQWIMLIZRLWBH-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)C(F)F ZINC000941706110 649077177 /nfs/dbraw/zinc/07/71/77/649077177.db2.gz WLFOFFKBPKDGRM-BXUZGUMPSA-N 0 3 307.344 2.150 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)c1ccon1 ZINC000941853180 649110322 /nfs/dbraw/zinc/11/03/22/649110322.db2.gz ARHLYUKCYJSQRG-CJNGLKHVSA-N 0 3 324.384 2.187 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](CF)c2ccc(F)cc2)CC1 ZINC000828096884 649132949 /nfs/dbraw/zinc/13/29/49/649132949.db2.gz FJNGYJZQGRADEB-MRXNPFEDSA-N 0 3 306.356 2.298 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC000942053010 649143311 /nfs/dbraw/zinc/14/33/11/649143311.db2.gz JANBVARJTNMKGH-RHSMWYFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncnc3sccc32)[C@H](C)C1 ZINC000942061778 649146538 /nfs/dbraw/zinc/14/65/38/649146538.db2.gz PEEJNWAOGOMHFN-DGCLKSJQSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H](C)C1 ZINC000942086148 649153373 /nfs/dbraw/zinc/15/33/73/649153373.db2.gz HNVZUCRZDHXJLH-JKSUJKDBSA-N 0 3 316.449 2.003 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OCC)nc2)[C@H](C)C1 ZINC000942102215 649155793 /nfs/dbraw/zinc/15/57/93/649155793.db2.gz UYOHDHUEVXEINL-UKRRQHHQSA-N 0 3 303.406 2.107 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](C)C1 ZINC000942117092 649160898 /nfs/dbraw/zinc/16/08/98/649160898.db2.gz LWDICPFXRFXSQR-WCQYABFASA-N 0 3 322.840 2.089 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3ccccc3n2)[C@H](C)C1 ZINC000942126881 649162701 /nfs/dbraw/zinc/16/27/01/649162701.db2.gz LYDSTWBKPOUPOK-ZIAGYGMSSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc3cnccc32)[C@H](C)C1 ZINC000942182403 649176775 /nfs/dbraw/zinc/17/67/75/649176775.db2.gz XIKBSGUGBZUOOW-DNVCBOLYSA-N 0 3 321.424 2.237 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](C)C1 ZINC000942301285 649200663 /nfs/dbraw/zinc/20/06/63/649200663.db2.gz DOBCDXHFICISLF-WMLDXEAASA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cn2c(C)cc3ccccc32)[C@H](C)C1 ZINC000942342273 649206112 /nfs/dbraw/zinc/20/61/12/649206112.db2.gz CSMLDFQVGUZCTD-QAPCUYQASA-N 0 3 323.440 2.410 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000828698134 649210295 /nfs/dbraw/zinc/21/02/95/649210295.db2.gz BKQUCCMEHZNKQX-WMZOPIPTSA-N 0 3 316.445 2.298 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000942430425 649221010 /nfs/dbraw/zinc/22/10/10/649221010.db2.gz ISKGPPFAALKEGV-MAUKXSAKSA-N 0 3 321.424 2.237 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@H](C)C1 ZINC000942523747 649234108 /nfs/dbraw/zinc/23/41/08/649234108.db2.gz VUCNKYMHIJMVNM-GDBMZVCRSA-N 0 3 312.417 2.269 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)noc2C2CC2)[C@H](C)C1 ZINC000942522802 649234268 /nfs/dbraw/zinc/23/42/68/649234268.db2.gz HKHZEQGIJDCHJM-RISCZKNCSA-N 0 3 303.406 2.487 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccncc2OC(C)C)[C@@H](C)C1 ZINC000942530098 649236115 /nfs/dbraw/zinc/23/61/15/649236115.db2.gz PDYZNALVHDXSKT-HOCLYGCPSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H](C)C1 ZINC000942536255 649237026 /nfs/dbraw/zinc/23/70/26/649237026.db2.gz WKJJPYQQOHSASV-CXAGYDPISA-N 0 3 311.429 2.341 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)c1cnco1 ZINC000942542831 649240405 /nfs/dbraw/zinc/24/04/05/649240405.db2.gz LGROQRXYOYUOQE-CZUORRHYSA-N 0 3 324.384 2.187 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000942542328 649240812 /nfs/dbraw/zinc/24/08/12/649240812.db2.gz CZWRJKPKUAMPFS-YOEHRIQHSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](C)C1 ZINC000942551132 649243086 /nfs/dbraw/zinc/24/30/86/649243086.db2.gz PBSYLKRLYKQYOV-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H](C)C1 ZINC000942550287 649243096 /nfs/dbraw/zinc/24/30/96/649243096.db2.gz BHQZPKAWGWXJNE-WFASDCNBSA-N 0 3 313.376 2.380 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)c2cc[nH]c2)C1 ZINC000995268105 649275606 /nfs/dbraw/zinc/27/56/06/649275606.db2.gz RJINYDSXSGSHEW-QGZVFWFLSA-N 0 3 322.412 2.007 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C)c2CC)[C@@H](C)C1 ZINC000942718209 649279352 /nfs/dbraw/zinc/27/93/52/649279352.db2.gz CPYWVVWRXVRIDU-HOCLYGCPSA-N 0 3 301.434 2.051 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(OCC)c2)[C@H](C)C1 ZINC000943233418 649353002 /nfs/dbraw/zinc/35/30/02/649353002.db2.gz OUNWEMOTPKXDMW-WBVHZDCISA-N 0 3 314.429 2.467 20 30 DEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000829773576 649353674 /nfs/dbraw/zinc/35/36/74/649353674.db2.gz GEGASOYWJFZZKK-HOTGVXAUSA-N 0 3 314.429 2.435 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000943372174 649372150 /nfs/dbraw/zinc/37/21/50/649372150.db2.gz BQXIJCWUWPYITK-SWLSCSKDSA-N 0 3 320.820 2.422 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](C)C1 ZINC000943745574 649418996 /nfs/dbraw/zinc/41/89/96/649418996.db2.gz UJKQJQINYONEHT-DZGCQCFKSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H](C)C1 ZINC000943748164 649419796 /nfs/dbraw/zinc/41/97/96/649419796.db2.gz APHBSGAHNGJOGJ-GXTWGEPZSA-N 0 3 306.381 2.461 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@H](CCO)c2ccccc2F)cc1 ZINC000830350645 649431058 /nfs/dbraw/zinc/43/10/58/649431058.db2.gz FEUUKWLFPHXGAO-MSOLQXFVSA-N 0 3 314.360 2.444 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H](C)C1 ZINC000943816417 649436825 /nfs/dbraw/zinc/43/68/25/649436825.db2.gz PBGRRSCSGNQOIL-KDOFPFPSSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@@H](C)C1 ZINC000943818569 649437435 /nfs/dbraw/zinc/43/74/35/649437435.db2.gz WUQRCYHQLSGSBT-WFASDCNBSA-N 0 3 315.417 2.324 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H](C)C1 ZINC000944033424 649475342 /nfs/dbraw/zinc/47/53/42/649475342.db2.gz LAFXGCZBCHXYGZ-ZBFHGGJFSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(COC)c(F)c2)[C@H](C)C1 ZINC000944315424 649509715 /nfs/dbraw/zinc/50/97/15/649509715.db2.gz AQCAEKGDRPXELG-CXAGYDPISA-N 0 3 318.392 2.046 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000944349244 649518478 /nfs/dbraw/zinc/51/84/78/649518478.db2.gz ZPWBOPALXPBRRB-YJBOKZPZSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000944533212 649530865 /nfs/dbraw/zinc/53/08/65/649530865.db2.gz OBYPKDXVMRZECN-XJKSGUPXSA-N 0 3 304.821 2.342 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000947915515 649567582 /nfs/dbraw/zinc/56/75/82/649567582.db2.gz ARKMCCLJYOCQOZ-KBPBESRZSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000944890045 649581324 /nfs/dbraw/zinc/58/13/24/649581324.db2.gz JWWXAKGZOLAWPT-BEFAXECRSA-N 0 3 310.441 2.178 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H](C)C1 ZINC000945005123 649597796 /nfs/dbraw/zinc/59/77/96/649597796.db2.gz AMRWHAGOKJMAPN-FUHWJXTLSA-N 0 3 323.440 2.491 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccn(CC)n2)cc1 ZINC000845441628 651243504 /nfs/dbraw/zinc/24/35/04/651243504.db2.gz FLMUBZPTZBFJSG-INIZCTEOSA-N 0 3 324.384 2.355 20 30 DEEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000845639475 651265218 /nfs/dbraw/zinc/26/52/18/651265218.db2.gz QETMODJTHRNAPI-ZDUSSCGKSA-N 0 3 309.385 2.405 20 30 DEEDHN N#Cc1cccc(CN2CCC(NCc3cnccn3)CC2)c1 ZINC000846115462 651308595 /nfs/dbraw/zinc/30/85/95/651308595.db2.gz LJPLFOLILIJDCC-UHFFFAOYSA-N 0 3 307.401 2.102 20 30 DEEDHN C=C[C@@H](C)ONC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000846551528 651338013 /nfs/dbraw/zinc/33/80/13/651338013.db2.gz WHQUETJDDPJYHD-CQSZACIVSA-N 0 3 318.417 2.127 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1coc(C#N)c1 ZINC000867429925 651338172 /nfs/dbraw/zinc/33/81/72/651338172.db2.gz KSBFOAFCOWQYST-SUMWQHHRSA-N 0 3 309.369 2.402 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)nc1Cl ZINC000847256131 651384890 /nfs/dbraw/zinc/38/48/90/651384890.db2.gz OGDMQYIWWCKXCW-GXTWGEPZSA-N 0 3 318.808 2.353 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000847266058 651385397 /nfs/dbraw/zinc/38/53/97/651385397.db2.gz LBIRLTJTSORRHJ-SJLPKXTDSA-N 0 3 313.445 2.214 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000848142576 651440280 /nfs/dbraw/zinc/44/02/80/651440280.db2.gz JFMSVCCGXAKFPD-QGZVFWFLSA-N 0 3 314.429 2.186 20 30 DEEDHN CCN(C(=O)c1ccc(C#N)c(OC)c1)[C@H]1CCN(CC)C1 ZINC000855486740 651707691 /nfs/dbraw/zinc/70/76/91/651707691.db2.gz OKHNNOZKSCCFLP-HNNXBMFYSA-N 0 3 301.390 2.123 20 30 DEEDHN C#CCOc1ccccc1CNCC[S@@](=O)CC(F)(F)F ZINC000850351107 651908248 /nfs/dbraw/zinc/90/82/48/651908248.db2.gz YWXSRWWXSIBPOM-OAQYLSRUSA-N 0 3 319.348 2.099 20 30 DEEDHN N#Cc1ccc2c(c1)[C@@H](NCC[S@](=O)CC(F)(F)F)CC2 ZINC000850495971 651939839 /nfs/dbraw/zinc/93/98/39/651939839.db2.gz LOIROVKSALGOMI-ZSEKCTLFSA-N 0 3 316.348 2.446 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](OC)C2)cc1 ZINC000850761079 651982774 /nfs/dbraw/zinc/98/27/74/651982774.db2.gz 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/nfs/dbraw/zinc/45/33/91/652453391.db2.gz SWENASJZRRKJOT-UHFFFAOYSA-N 0 3 317.389 2.148 20 30 DEEDHN CC1(C)C[C@@H](ON=Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000853643433 652583319 /nfs/dbraw/zinc/58/33/19/652583319.db2.gz VOHMYXQUFQSXOU-MRXNPFEDSA-N 0 3 304.390 2.441 20 30 DEEDHN C#C[C@H](CC)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000854070422 652637979 /nfs/dbraw/zinc/63/79/79/652637979.db2.gz NIWBJRHHKOKHQP-CQSZACIVSA-N 0 3 303.406 2.297 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001371789382 1156015962 /nfs/dbraw/zinc/01/59/62/1156015962.db2.gz FTKOGNDVNXHJFZ-LLVKDONJSA-N 0 3 310.829 2.139 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001355967314 1152046136 /nfs/dbraw/zinc/04/61/36/1152046136.db2.gz DBFDYJZAGGNESU-GFCCVEGCSA-N 0 3 313.396 2.048 20 30 DEEDHN C=C(C)CCC(=O)NCCN(CC)C(=O)CN1CCC(C)(C)C1 ZINC001356081327 1152056787 /nfs/dbraw/zinc/05/67/87/1152056787.db2.gz NPSOSSWETVUVJX-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1nccn1CC ZINC001394017364 1158166434 /nfs/dbraw/zinc/16/64/34/1158166434.db2.gz QXGMPNJVEZKRFI-UHFFFAOYSA-N 0 3 312.845 2.343 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001356325428 1152074347 /nfs/dbraw/zinc/07/43/47/1152074347.db2.gz SMYWCTLZHMXMTM-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCc1ccc(OCC(=O)N[C@@H]2CCN(C)[C@H]2C)c(OC)c1 ZINC000928450582 693783308 /nfs/dbraw/zinc/78/33/08/693783308.db2.gz CKIBLTVFWJHZCX-DZGCQCFKSA-N 0 3 318.417 2.011 20 30 DEEDHN CC(=O)N[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000048787661 683918778 /nfs/dbraw/zinc/91/87/78/683918778.db2.gz ZDVLJPWSUVUZLP-OLZOCXBDSA-N 0 3 305.403 2.323 20 30 DEEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000119588834 684084260 /nfs/dbraw/zinc/08/42/60/684084260.db2.gz LHBXCFQMEXQEDT-IUODEOHRSA-N 0 3 316.357 2.324 20 30 DEEDHN Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC(C)C)s1 ZINC000130878860 684193735 /nfs/dbraw/zinc/19/37/35/684193735.db2.gz FEOJKQQPGPVEDQ-NSHDSACASA-N 0 3 306.387 2.253 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccccc1Br ZINC000133348287 684218426 /nfs/dbraw/zinc/21/84/26/684218426.db2.gz MLNCKAZAUHSDGE-NSHDSACASA-N 0 3 323.190 2.227 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCOc1ccc(C)cc1Cl ZINC000133349340 684218753 /nfs/dbraw/zinc/21/87/53/684218753.db2.gz STNPMYXWQJYSAK-NSHDSACASA-N 0 3 308.765 2.262 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CC[C@H](C)c1ccccc1 ZINC000160115072 684326623 /nfs/dbraw/zinc/32/66/23/684326623.db2.gz IDFQLACQRVIFQT-GOEBONIOSA-N 0 3 316.401 2.432 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnc3cc[nH]c3c1)C2 ZINC001054151824 693864422 /nfs/dbraw/zinc/86/44/22/693864422.db2.gz SLSFGLRAEOMHHU-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]nc1C(C)C)C2 ZINC001054157199 693866020 /nfs/dbraw/zinc/86/60/20/693866020.db2.gz IEUSEOHFIGGIIV-GOSISDBHSA-N 0 3 314.433 2.094 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccn(CC)c1C)C2 ZINC001054183000 693873381 /nfs/dbraw/zinc/87/33/81/693873381.db2.gz WDABBSNXVVZOTI-LJQANCHMSA-N 0 3 313.445 2.378 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCc1cncs1)C2 ZINC001054197797 693878586 /nfs/dbraw/zinc/87/85/86/693878586.db2.gz IUHZVCIMMIYEMF-KRWDZBQOSA-N 0 3 317.458 2.023 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)C3=COCCO3)cc2C1 ZINC001054253860 693901381 /nfs/dbraw/zinc/90/13/81/693901381.db2.gz JGOXLZLPHKQDQJ-UHFFFAOYSA-N 0 3 314.385 2.083 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3ccc(=O)[nH]n3)cc2C1 ZINC001054253568 693901686 /nfs/dbraw/zinc/90/16/86/693901686.db2.gz CWRBBQPAUKCFPN-UHFFFAOYSA-N 0 3 324.384 2.004 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cncnc3)cc2C1 ZINC001054262583 693906595 /nfs/dbraw/zinc/90/65/95/693906595.db2.gz KJNNYULFVDZHNO-UHFFFAOYSA-N 0 3 308.385 2.298 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3csnn3)cc2C1 ZINC001054276035 693910863 /nfs/dbraw/zinc/91/08/63/693910863.db2.gz KNLXOPFMNLPARL-UHFFFAOYSA-N 0 3 314.414 2.360 20 30 DEEDHN CN1C[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000929257271 693926339 /nfs/dbraw/zinc/92/63/39/693926339.db2.gz NZVRUZGXWNTBRU-SMDDNHRTSA-N 0 3 304.781 2.379 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@H](C)OC[C@H]2CC)cc1 ZINC000929272202 693928621 /nfs/dbraw/zinc/92/86/21/693928621.db2.gz YUTXIIQHQTUULJ-WMLDXEAASA-N 0 3 300.402 2.496 20 30 DEEDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000246338940 685128006 /nfs/dbraw/zinc/12/80/06/685128006.db2.gz VIMBTPWWTHDKHE-YOEHRIQHSA-N 0 3 315.417 2.326 20 30 DEEDHN CC(C)C(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001054400502 693961512 /nfs/dbraw/zinc/96/15/12/693961512.db2.gz YDEXJIKUDKZSDF-BLLLJJGKSA-N 0 3 303.381 2.290 20 30 DEEDHN COC(=O)/C(C)=C\CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000859882641 685847095 /nfs/dbraw/zinc/84/70/95/685847095.db2.gz YVNFYVIPGZDKKC-AUWJEWJLSA-N 0 3 314.385 2.273 20 30 DEEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000860467340 685930463 /nfs/dbraw/zinc/93/04/63/685930463.db2.gz JWUNSRHZJGDMMI-GJZGRUSLSA-N 0 3 302.374 2.217 20 30 DEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1cccc(C)c1)C1CC1 ZINC000860468415 685930471 /nfs/dbraw/zinc/93/04/71/685930471.db2.gz JSGRBSVSECBAQY-HOCLYGCPSA-N 0 3 300.358 2.458 20 30 DEEDHN C#CCCOc1ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862427915 686301126 /nfs/dbraw/zinc/30/11/26/686301126.db2.gz HQWDKKQOZPEZQO-MRXNPFEDSA-N 0 3 300.402 2.141 20 30 DEEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1CCCN1C ZINC000863504965 686512367 /nfs/dbraw/zinc/51/23/67/686512367.db2.gz DBDVQZSKKPFQCR-ZDUSSCGKSA-N 0 3 312.373 2.074 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc(C#N)c1 ZINC000864910430 686882128 /nfs/dbraw/zinc/88/21/28/686882128.db2.gz JOZLSVPWSZEFEQ-UHFFFAOYSA-N 0 3 322.368 2.227 20 30 DEEDHN C#CCSCCNCc1cc(Br)cnc1OC ZINC000865469893 687224056 /nfs/dbraw/zinc/22/40/56/687224056.db2.gz ASDSWILUSIKWKP-UHFFFAOYSA-N 0 3 315.236 2.309 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNC[C@H]1COC2(CCCC2)O1 ZINC000865520044 687244639 /nfs/dbraw/zinc/24/46/39/687244639.db2.gz WEPRWUOOEJERGR-INIZCTEOSA-N 0 3 315.417 2.400 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNC[C@@H]1COC2(CCCC2)O1 ZINC000865520045 687244951 /nfs/dbraw/zinc/24/49/51/687244951.db2.gz WEPRWUOOEJERGR-MRXNPFEDSA-N 0 3 315.417 2.400 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001015794749 687425342 /nfs/dbraw/zinc/42/53/42/687425342.db2.gz NJGHFONNAPAPCX-ZDUSSCGKSA-N 0 3 306.793 2.176 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2scc3c2OCCO3)C1 ZINC001015937238 687472164 /nfs/dbraw/zinc/47/21/64/687472164.db2.gz ZQCNSXNAQUJWKD-LBPRGKRZSA-N 0 3 322.430 2.290 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001016179626 687551345 /nfs/dbraw/zinc/55/13/45/687551345.db2.gz ZPFGCRGUCBHSPG-MRXNPFEDSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCC[C@@H](NC[C@@]12COC(=O)N1CCOC2)c1ccco1 ZINC000866520962 687599021 /nfs/dbraw/zinc/59/90/21/687599021.db2.gz JDBLGZWSLZOEEN-CZUORRHYSA-N 0 3 306.362 2.098 20 30 DEEDHN COc1ccc(CN2CCC3(C[C@@H]3NC(C)=O)CC2)cc1C#N ZINC001016452776 687625734 /nfs/dbraw/zinc/62/57/34/687625734.db2.gz VSLMBBPLCGXPCE-KRWDZBQOSA-N 0 3 313.401 2.057 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccccc2F)CC1 ZINC001016481151 687635038 /nfs/dbraw/zinc/63/50/38/687635038.db2.gz ZEMRLXWXBCGAKV-MRXNPFEDSA-N 0 3 300.377 2.433 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000930288298 694128370 /nfs/dbraw/zinc/12/83/70/694128370.db2.gz UHXIASRDGMOEFH-MEBBXXQBSA-N 0 3 302.353 2.302 20 30 DEEDHN CC[C@H](F)CN1CCC2(C[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016585526 687658496 /nfs/dbraw/zinc/65/84/96/687658496.db2.gz AYPOQNXJIBIZDX-DZGCQCFKSA-N 0 3 318.396 2.219 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)sn2)CC1 ZINC001016600522 687662642 /nfs/dbraw/zinc/66/26/42/687662642.db2.gz HPINRGQFCNSTJM-AWEZNQCLSA-N 0 3 303.431 2.059 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2nc(C)sc2C)CC1 ZINC001016690747 687683393 /nfs/dbraw/zinc/68/33/93/687683393.db2.gz UDFOXRGABPGMSE-AWEZNQCLSA-N 0 3 317.458 2.368 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001016755024 687696499 /nfs/dbraw/zinc/69/64/99/687696499.db2.gz UMMBURZVEPLTDP-UONOGXRCSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001016803241 687706511 /nfs/dbraw/zinc/70/65/11/687706511.db2.gz NXIQBXWIUMVZFW-QGZVFWFLSA-N 0 3 307.397 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)c2cccs2)CC1 ZINC001016818874 687710152 /nfs/dbraw/zinc/71/01/52/687710152.db2.gz GSSRSDZFSOOWJC-UKRRQHHQSA-N 0 3 302.443 2.456 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccn(C)c2CC)CC1 ZINC001016825660 687710447 /nfs/dbraw/zinc/71/04/47/687710447.db2.gz JXHMDLAAWQUFAL-KRWDZBQOSA-N 0 3 313.445 2.195 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC001016865934 687722486 /nfs/dbraw/zinc/72/24/86/687722486.db2.gz QVCAONDQAXTCLH-YDZRNGNQSA-N 0 3 320.436 2.176 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(OCC)cc2)CC1 ZINC001016956459 687742245 /nfs/dbraw/zinc/74/22/45/687742245.db2.gz UBPWYVOBEUGXFC-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN N#CCc1ccsc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000867970346 687855184 /nfs/dbraw/zinc/85/51/84/687855184.db2.gz AUECTRQVLUSTNQ-HNNXBMFYSA-N 0 3 311.410 2.431 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCOC1 ZINC001017463087 687895100 /nfs/dbraw/zinc/89/51/00/687895100.db2.gz WUFWSAZMVCFBKF-YESZJQIVSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccnc1 ZINC001018071137 688046448 /nfs/dbraw/zinc/04/64/48/688046448.db2.gz PESQQHWLQHVQCB-IYBDPMFKSA-N 0 3 315.417 2.102 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncc2ccccc21 ZINC001018072842 688046699 /nfs/dbraw/zinc/04/66/99/688046699.db2.gz JKDPLYKVSNYOTC-CALCHBBNSA-N 0 3 324.428 2.288 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001018112106 688055577 /nfs/dbraw/zinc/05/55/77/688055577.db2.gz MYXGWWYSVBGHLM-VVLHAWIVSA-N 0 3 306.450 2.443 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3cscn3)C2)s1 ZINC001018614456 688186556 /nfs/dbraw/zinc/18/65/56/688186556.db2.gz ZIFVMBZMDZVPEX-JTQLQIEISA-N 0 3 318.427 2.081 20 30 DEEDHN C[C@@H](C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC001018673166 688202361 /nfs/dbraw/zinc/20/23/61/688202361.db2.gz JVEGLGVRIRIXSG-WBMJQRKESA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2scnc2C2CCCC2)C1 ZINC001019101389 688284579 /nfs/dbraw/zinc/28/45/79/688284579.db2.gz VEOCSBVUOZZNHI-ZDUSSCGKSA-N 0 3 303.431 2.238 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC001019104962 688285029 /nfs/dbraw/zinc/28/50/29/688285029.db2.gz RVMZLSUKCVTQFK-ZDUSSCGKSA-N 0 3 302.374 2.478 20 30 DEEDHN CC(C)[C@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001019257143 688311528 /nfs/dbraw/zinc/31/15/28/688311528.db2.gz KTXFJEFVVBPMLH-FZMZJTMJSA-N 0 3 309.410 2.304 20 30 DEEDHN C#Cc1cncc(C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)c1 ZINC001019356881 688339226 /nfs/dbraw/zinc/33/92/26/688339226.db2.gz KTCIEUQHEMZXAS-SFHVURJKSA-N 0 3 323.371 2.206 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)c3cc[nH]c3)C2)c(F)c1 ZINC001020182393 688480676 /nfs/dbraw/zinc/48/06/76/688480676.db2.gz QLEKVUJYNLVMAZ-SHTZXODSSA-N 0 3 312.348 2.076 20 30 DEEDHN Cc1cc(C(C#N)C(=O)C=CCOC2CCOCC2)nc(C)n1 ZINC000870136190 688494570 /nfs/dbraw/zinc/49/45/70/688494570.db2.gz JNXBSKMEOQKOOP-BWPKMQGJSA-N 0 3 315.373 2.022 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)Cc2ccccc2)C1 ZINC001020304111 688501379 /nfs/dbraw/zinc/50/13/79/688501379.db2.gz LYHSQPFTKXPHMI-HDJSIYSDSA-N 0 3 323.234 2.375 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001020349048 688507571 /nfs/dbraw/zinc/50/75/71/688507571.db2.gz TZROMOXSYBDQAW-HAQNSBGRSA-N 0 3 318.808 2.474 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001028262925 688534535 /nfs/dbraw/zinc/53/45/35/688534535.db2.gz GBVGVPPCZQSUIH-CQSZACIVSA-N 0 3 303.406 2.153 20 30 DEEDHN Cc1cccnc1CN(C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733737 688569130 /nfs/dbraw/zinc/56/91/30/688569130.db2.gz NDWZHCWKKUIDAQ-KRWDZBQOSA-N 0 3 311.429 2.084 20 30 DEEDHN COc1cc(C(=O)N2CCN(C)C(C)(C)CC2)ccc1C#N ZINC000871158677 688739786 /nfs/dbraw/zinc/73/97/86/688739786.db2.gz IBSCGTCCZYSERF-UHFFFAOYSA-N 0 3 301.390 2.123 20 30 DEEDHN Cc1cccc(C)c1CN1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619115 688965097 /nfs/dbraw/zinc/96/50/97/688965097.db2.gz KITCCNHFBKXICA-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2CN([C@@H]3CCc4ccccc43)C2)[nH]1 ZINC001031620355 688965844 /nfs/dbraw/zinc/96/58/44/688965844.db2.gz HNKXUWXJBBRBLH-GOSISDBHSA-N 0 3 320.396 2.235 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cn(-c3ccccc3)cn2)C1 ZINC001031683816 688979069 /nfs/dbraw/zinc/97/90/69/688979069.db2.gz QKVXRAKTNWVPBF-UHFFFAOYSA-N 0 3 310.401 2.110 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2scnc2C(F)(F)F)C1 ZINC001031738160 688988999 /nfs/dbraw/zinc/98/89/99/688988999.db2.gz GOBQMFOAQHVWHF-UHFFFAOYSA-N 0 3 319.352 2.400 20 30 DEEDHN Cc1nn(C)c2nc(Cl)cc(N=NC3C[C@@H](C)N(C)C3)c12 ZINC000872423532 688997852 /nfs/dbraw/zinc/99/78/52/688997852.db2.gz VVDXEZAKUPIYML-MRVPVSSYSA-N 0 3 306.801 2.422 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC001031874234 689012409 /nfs/dbraw/zinc/01/24/09/689012409.db2.gz PFJGJTQOPFOMOV-MSOLQXFVSA-N 0 3 314.404 2.391 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031988715 689035286 /nfs/dbraw/zinc/03/52/86/689035286.db2.gz LQDQJCKCQDBBMD-QGTPRVQTSA-N 0 3 314.429 2.387 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872881622 689112113 /nfs/dbraw/zinc/11/21/13/689112113.db2.gz PCBKGFKHVMKVSE-PVAVHDDUSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000872957764 689128890 /nfs/dbraw/zinc/12/88/90/689128890.db2.gz QVCYFCKPCCICKU-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000872973213 689131514 /nfs/dbraw/zinc/13/15/14/689131514.db2.gz MWVLHBIHPGMPSX-INIZCTEOSA-N 0 3 324.513 2.304 20 30 DEEDHN C#C[C@H]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000872987909 689134585 /nfs/dbraw/zinc/13/45/85/689134585.db2.gz ZZYJEHYZJCPKKG-ZOBUZTSGSA-N 0 3 303.450 2.495 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1Cc2ccccc2O1 ZINC001032419034 689146571 /nfs/dbraw/zinc/14/65/71/689146571.db2.gz OUITXXFKEQLLIF-YESZJQIVSA-N 0 3 312.413 2.241 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(COC)c1 ZINC001032452427 689155852 /nfs/dbraw/zinc/15/58/52/689155852.db2.gz YDUIVIUTSSLNQM-IRXDYDNUSA-N 0 3 315.417 2.093 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2nccc12 ZINC001032497113 689167785 /nfs/dbraw/zinc/16/77/85/689167785.db2.gz IDBOFBTYXRGQRK-GJZGRUSLSA-N 0 3 310.401 2.199 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001032517221 689173622 /nfs/dbraw/zinc/17/36/22/689173622.db2.gz VXRVHNLBLJXFGK-JYJNAYRXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(F)cccc1F ZINC001032593912 689197193 /nfs/dbraw/zinc/19/71/93/689197193.db2.gz BEDYBOABQSXYSI-STQMWFEESA-N 0 3 306.356 2.369 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccncc1Cl ZINC001032629224 689206192 /nfs/dbraw/zinc/20/61/92/689206192.db2.gz XKMIPQDFJDJWPO-KBPBESRZSA-N 0 3 305.809 2.139 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(C2CC2)n1 ZINC001032667232 689218604 /nfs/dbraw/zinc/21/86/04/689218604.db2.gz ZHLDUPVWSJMYJV-GJZGRUSLSA-N 0 3 317.458 2.424 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cccn2)c1 ZINC001032684253 689224131 /nfs/dbraw/zinc/22/41/31/689224131.db2.gz HVMAWZLYRYHDGV-ROUUACIJSA-N 0 3 322.412 2.347 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033190018 689418101 /nfs/dbraw/zinc/41/81/01/689418101.db2.gz FVBVBEJXAMJLEC-GOSISDBHSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001033218222 689428343 /nfs/dbraw/zinc/42/83/43/689428343.db2.gz VCBLBYALYBDENA-ZBFHGGJFSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2conc2C(F)(F)F)C1 ZINC001033264022 689443562 /nfs/dbraw/zinc/44/35/62/689443562.db2.gz ZBHVTVUDGAZJCZ-JTQLQIEISA-N 0 3 317.311 2.416 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)(C)c2c(C)noc2C)C1 ZINC001033344220 689470670 /nfs/dbraw/zinc/47/06/70/689470670.db2.gz PYCFDBXVZHQADT-OAHLLOKOSA-N 0 3 317.433 2.125 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033353047 689473996 /nfs/dbraw/zinc/47/39/96/689473996.db2.gz DALYRHGFLBZRBL-SJORKVTESA-N 0 3 311.429 2.058 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001033366535 689478741 /nfs/dbraw/zinc/47/87/41/689478741.db2.gz SHADCHKUBOLNCY-HNNXBMFYSA-N 0 3 305.422 2.064 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033386094 689483136 /nfs/dbraw/zinc/48/31/36/689483136.db2.gz ZJTINEZTHFFQML-KRWDZBQOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033444032 689500306 /nfs/dbraw/zinc/50/03/06/689500306.db2.gz SMFYLYGZMQJHEG-CYBMUJFWSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(OCC)c2)C1 ZINC001033458819 689506688 /nfs/dbraw/zinc/50/66/88/689506688.db2.gz ROBDMJISHUUCSW-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnc(C(C)C)nc2C)C1 ZINC001033476987 689515174 /nfs/dbraw/zinc/51/51/74/689515174.db2.gz FGUOZSNPRHVNOZ-OAHLLOKOSA-N 0 3 314.433 2.078 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001033555860 689541708 /nfs/dbraw/zinc/54/17/08/689541708.db2.gz WAXLYMLYZAJIGH-JKSUJKDBSA-N 0 3 324.428 2.153 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ncccc2OC(C)C)C1 ZINC001033624559 689563081 /nfs/dbraw/zinc/56/30/81/689563081.db2.gz NBZRPRPZEAZSNU-OAHLLOKOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001033689352 689584847 /nfs/dbraw/zinc/58/48/47/689584847.db2.gz BJQAFMDFRNFUKH-HNNXBMFYSA-N 0 3 317.408 2.061 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001033690008 689585349 /nfs/dbraw/zinc/58/53/49/689585349.db2.gz OFNCLXSZESKQES-GRTSSRMGSA-N 0 3 314.351 2.275 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cccc(OCC)c2)C1 ZINC001033690326 689585491 /nfs/dbraw/zinc/58/54/91/689585491.db2.gz IHPFNGFVBHANII-QGZVFWFLSA-N 0 3 314.429 2.184 20 30 DEEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033706404 689589090 /nfs/dbraw/zinc/58/90/90/689589090.db2.gz FXSDJDHEBRXRGO-ZDUSSCGKSA-N 0 3 323.462 2.402 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccnn2C(F)F)C1 ZINC001033846177 689636076 /nfs/dbraw/zinc/63/60/76/689636076.db2.gz LULRACRLCGMGAN-LBPRGKRZSA-N 0 3 312.364 2.391 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033848298 689636841 /nfs/dbraw/zinc/63/68/41/689636841.db2.gz CRVQTZYXFSRRNE-HZPDHXFCSA-N 0 3 316.449 2.414 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001033850952 689638775 /nfs/dbraw/zinc/63/87/75/689638775.db2.gz XFYVVQMQURQXDU-CQSZACIVSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCn1cccc1C(=O)N(CC)[C@@H]1CCN(C[C@H](C)OC)C1 ZINC001033856130 689640348 /nfs/dbraw/zinc/64/03/48/689640348.db2.gz RMNYGWMAZQZNGM-JKSUJKDBSA-N 0 3 319.449 2.245 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001033858326 689641291 /nfs/dbraw/zinc/64/12/91/689641291.db2.gz TXRCYVJIHZWJRS-HNNXBMFYSA-N 0 3 317.433 2.200 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc3nccn32)C1 ZINC001033895676 689653391 /nfs/dbraw/zinc/65/33/91/689653391.db2.gz AYWFNTPSAHGNDO-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001033902706 689657038 /nfs/dbraw/zinc/65/70/38/689657038.db2.gz OOEUKHBGLVVXRX-OAHLLOKOSA-N 0 3 303.406 2.072 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c(C)nn(C)c2C)C1 ZINC001033917595 689660714 /nfs/dbraw/zinc/66/07/14/689660714.db2.gz IWKJUOCYOWPCFL-HNNXBMFYSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001033961355 689674701 /nfs/dbraw/zinc/67/47/01/689674701.db2.gz IOBPDMNVJQTSJW-IXDOHACOSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2noc3c2CCCC3)C1 ZINC001033968158 689676343 /nfs/dbraw/zinc/67/63/43/689676343.db2.gz KHRHCZDLVSVSLU-AWEZNQCLSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc3c2OCC3)C1 ZINC001033966191 689676754 /nfs/dbraw/zinc/67/67/54/689676754.db2.gz FNRJEOPUUGOLDO-MRXNPFEDSA-N 0 3 312.413 2.181 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(CC)nn2C)C1 ZINC001034002095 689688242 /nfs/dbraw/zinc/68/82/42/689688242.db2.gz OVMBOMNFGORBKC-HNNXBMFYSA-N 0 3 304.438 2.095 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034021328 689696676 /nfs/dbraw/zinc/69/66/76/689696676.db2.gz WUJPVIWGYGSKEW-ZDUSSCGKSA-N 0 3 305.809 2.295 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001034051343 689706603 /nfs/dbraw/zinc/70/66/03/689706603.db2.gz VKWLKIRGOLBZFO-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001034219500 689767770 /nfs/dbraw/zinc/76/77/70/689767770.db2.gz MYAIYCWSYWXZHV-CABCVRRESA-N 0 3 304.438 2.070 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001034224905 689770960 /nfs/dbraw/zinc/77/09/60/689770960.db2.gz DNOMOXPZODVILV-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001034262700 689786599 /nfs/dbraw/zinc/78/65/99/689786599.db2.gz PGBUKABAFFWJDN-OAHLLOKOSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC001034288069 689795655 /nfs/dbraw/zinc/79/56/55/689795655.db2.gz DFJBJBGWIHWSCQ-ZDUSSCGKSA-N 0 3 307.394 2.234 20 30 DEEDHN C#C[C@H]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000876444742 689832683 /nfs/dbraw/zinc/83/26/83/689832683.db2.gz HXPGFIRWUKAYJM-WKILWMFISA-N 0 3 303.450 2.448 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2noc3c2CCCC3)C1 ZINC001034411783 689839658 /nfs/dbraw/zinc/83/96/58/689839658.db2.gz WGEAGAOQHDCNOW-CQSZACIVSA-N 0 3 315.417 2.161 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001034422128 689843617 /nfs/dbraw/zinc/84/36/17/689843617.db2.gz TWARRTZASRORBO-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001034426658 689846045 /nfs/dbraw/zinc/84/60/45/689846045.db2.gz OKPCNBSCXCATHI-OAHLLOKOSA-N 0 3 304.438 2.163 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034467089 689861166 /nfs/dbraw/zinc/86/11/66/689861166.db2.gz JQEHEVVDNWXNPH-MRXNPFEDSA-N 0 3 324.428 2.479 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 ZINC000876574501 689862009 /nfs/dbraw/zinc/86/20/09/689862009.db2.gz GAPTWPVIRUENOW-LLVKDONJSA-N 0 3 311.769 2.062 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NCC)cc1C ZINC000876584329 689866176 /nfs/dbraw/zinc/86/61/76/689866176.db2.gz VPBMUHBGNFXQNO-GFCCVEGCSA-N 0 3 309.797 2.153 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCCN(CC#N)C1 ZINC001034479965 689866595 /nfs/dbraw/zinc/86/65/95/689866595.db2.gz CWMCCMWWBVZFCM-SJORKVTESA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC001034484051 689868611 /nfs/dbraw/zinc/86/86/11/689868611.db2.gz WCIJRLWLLKNKKS-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001034491919 689872270 /nfs/dbraw/zinc/87/22/70/689872270.db2.gz IYONAKVZXNDRMP-AWEZNQCLSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000876611015 689875742 /nfs/dbraw/zinc/87/57/42/689875742.db2.gz OKVZECXQSBYUEX-BXKDBHETSA-N 0 3 318.751 2.318 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001034549466 689895207 /nfs/dbraw/zinc/89/52/07/689895207.db2.gz KQDIILHBBKTGJU-GOEBONIOSA-N 0 3 300.402 2.319 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000876677160 689898630 /nfs/dbraw/zinc/89/86/30/689898630.db2.gz IRJDWQXSWUNXCJ-MNOVXSKESA-N 0 3 321.179 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1F ZINC000876682933 689901141 /nfs/dbraw/zinc/90/11/41/689901141.db2.gz NYXPMOZNXINMBN-CMPLNLGQSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1OC ZINC000876686585 689902329 /nfs/dbraw/zinc/90/23/29/689902329.db2.gz BOVLWTPRNAOALP-VIFPVBQESA-N 0 3 314.769 2.121 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000876692067 689904580 /nfs/dbraw/zinc/90/45/80/689904580.db2.gz MIYITHHKOJDWNG-NWDGAFQWSA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2ccccc2C)CC1 ZINC000876709549 689911763 /nfs/dbraw/zinc/91/17/63/689911763.db2.gz UUJARSGNMIDDTA-AWEZNQCLSA-N 0 3 307.825 2.114 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000876714773 689913306 /nfs/dbraw/zinc/91/33/06/689913306.db2.gz DIBAJGZWGNGAPD-ZDUSSCGKSA-N 0 3 308.813 2.480 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)c(OC)c1 ZINC000931142126 694325836 /nfs/dbraw/zinc/32/58/36/694325836.db2.gz HETLQMFICSODKE-UHFFFAOYSA-N 0 3 309.797 2.425 20 30 DEEDHN CCC(=O)N1CCC[C@@H]1CNCc1cc(C#N)ccc1OC ZINC001034834267 689957108 /nfs/dbraw/zinc/95/71/08/689957108.db2.gz GCTIEXLNUQMZAQ-OAHLLOKOSA-N 0 3 301.390 2.057 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000876875184 689960630 /nfs/dbraw/zinc/96/06/30/689960630.db2.gz RBOIDUBLDQTNKM-OAHLLOKOSA-N 0 3 321.852 2.422 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000876904588 689969435 /nfs/dbraw/zinc/96/94/35/689969435.db2.gz FPSUALACXYAKMQ-LLVKDONJSA-N 0 3 306.715 2.233 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000876941652 689977931 /nfs/dbraw/zinc/97/79/31/689977931.db2.gz JFXBTERQCMNBAH-OLZOCXBDSA-N 0 3 316.829 2.038 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC000876941653 689978335 /nfs/dbraw/zinc/97/83/35/689978335.db2.gz JFXBTERQCMNBAH-QWHCGFSZSA-N 0 3 316.829 2.038 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000876970937 689986306 /nfs/dbraw/zinc/98/63/06/689986306.db2.gz HETPCIIATISVEX-RDBSUJKOSA-N 0 3 300.830 2.264 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000876973799 689986885 /nfs/dbraw/zinc/98/68/85/689986885.db2.gz PSRBMMZLVJUETD-GJZGRUSLSA-N 0 3 307.825 2.194 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000876976587 689988262 /nfs/dbraw/zinc/98/82/62/689988262.db2.gz PZWWGKASTUKOIR-VIFPVBQESA-N 0 3 318.707 2.094 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000877010653 689996373 /nfs/dbraw/zinc/99/63/73/689996373.db2.gz GKVLFTSKGMZDAL-ABAIWWIYSA-N 0 3 316.829 2.085 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000877133141 690026488 /nfs/dbraw/zinc/02/64/88/690026488.db2.gz XGQZUUPQUHIERN-DZGCQCFKSA-N 0 3 307.781 2.034 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@H]3C[C@H]31)CC2 ZINC001035741462 690165809 /nfs/dbraw/zinc/16/58/09/690165809.db2.gz LZBGEQZCTQENCT-YESZJQIVSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@]1(C)C[C@H]3C[C@H]3C1)CC2 ZINC001035757605 690169335 /nfs/dbraw/zinc/16/93/35/690169335.db2.gz MDXNBQORSMZJSI-ALXJQNPVSA-N 0 3 300.446 2.370 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]1(C)CCO[C@@H]1C)CC2 ZINC001035760255 690169594 /nfs/dbraw/zinc/16/95/94/690169594.db2.gz MPZQATCWRFRVRD-WBVHZDCISA-N 0 3 306.450 2.302 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035799358 690179692 /nfs/dbraw/zinc/17/96/92/690179692.db2.gz CEPYNNDQESQZRT-SJORKVTESA-N 0 3 318.461 2.468 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1csc(Cl)n1)CC2 ZINC001035828908 690187195 /nfs/dbraw/zinc/18/71/95/690187195.db2.gz YYVNDBJETWONNH-UHFFFAOYSA-N 0 3 323.849 2.358 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1c[nH]c3ncccc13)CC2 ZINC001035852550 690193371 /nfs/dbraw/zinc/19/33/71/690193371.db2.gz GQHVEWOZOJXCOV-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)C[C@@H]1CCCO1)CC2 ZINC001035861897 690196202 /nfs/dbraw/zinc/19/62/02/690196202.db2.gz SWLAOLVEHFBZRE-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)c1cnn(C)c1)CC2 ZINC001035863644 690196841 /nfs/dbraw/zinc/19/68/41/690196841.db2.gz BJAXGOQJGBGGOL-HNNXBMFYSA-N 0 3 316.449 2.024 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000877917287 690259987 /nfs/dbraw/zinc/25/99/87/690259987.db2.gz RYZFUKPCWMFEMD-MOPGFXCFSA-N 0 3 310.397 2.475 20 30 DEEDHN C=CC[C@@H](C)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000877964670 690272494 /nfs/dbraw/zinc/27/24/94/690272494.db2.gz JZVSSMDPRDLRAU-CQSZACIVSA-N 0 3 303.406 2.345 20 30 DEEDHN CC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(F)ccc2C#N)C1 ZINC001036327623 690320975 /nfs/dbraw/zinc/32/09/75/690320975.db2.gz QJVGLDXVKAJRMB-DOMZBBRYSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@@H](NCc1nccs1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001036413144 690344531 /nfs/dbraw/zinc/34/45/31/690344531.db2.gz RANQUUUXTSJQBN-UKRRQHHQSA-N 0 3 317.458 2.273 20 30 DEEDHN C#CCCCCC[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000878519610 690430889 /nfs/dbraw/zinc/43/08/89/690430889.db2.gz RJYGWVKXQDRHTM-UHFFFAOYSA-N 0 3 318.421 2.354 20 30 DEEDHN C#CCCCCC[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000878519610 690430893 /nfs/dbraw/zinc/43/08/93/690430893.db2.gz RJYGWVKXQDRHTM-UHFFFAOYSA-N 0 3 318.421 2.354 20 30 DEEDHN C#CCN(Cc1ccccc1)C[C@H](O)CC1(CO)CCCC1 ZINC000878613405 690454787 /nfs/dbraw/zinc/45/47/87/690454787.db2.gz MVFSULHGPOXFCS-GOSISDBHSA-N 0 3 301.430 2.426 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCC[C@@H]1NC(=O)C(F)F ZINC001036918155 690527648 /nfs/dbraw/zinc/52/76/48/690527648.db2.gz HMKXXZGROFBEJI-KBPBESRZSA-N 0 3 307.344 2.198 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H]1[C@@H](C)O)c1ccccc1 ZINC000878951602 690536457 /nfs/dbraw/zinc/53/64/57/690536457.db2.gz MALVVGNQZMJWLT-OLMNPRSZSA-N 0 3 300.402 2.272 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCC[C@@H]1NC(=O)c1ccon1 ZINC001036957591 690541782 /nfs/dbraw/zinc/54/17/82/690541782.db2.gz XFBMCYFQOGGITI-CVEARBPZSA-N 0 3 324.384 2.235 20 30 DEEDHN COc1cccc([C@@H]2CN(Cc3ccncc3C#N)CCN2)c1 ZINC000879523148 690661068 /nfs/dbraw/zinc/66/10/68/690661068.db2.gz UNZHXMBFCIWDGY-SFHVURJKSA-N 0 3 308.385 2.108 20 30 DEEDHN COc1cccc([C@H]2CN(CCCSCC#N)CCN2)c1 ZINC000879526175 690662785 /nfs/dbraw/zinc/66/27/85/690662785.db2.gz VXXWIVUFRNKUBS-MRXNPFEDSA-N 0 3 305.447 2.288 20 30 DEEDHN C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1[O-] ZINC000879650257 690699476 /nfs/dbraw/zinc/69/94/76/690699476.db2.gz 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/nfs/dbraw/zinc/91/69/88/690916988.db2.gz HFUWYMHIBWHRTN-GFCCVEGCSA-N 0 3 304.419 2.166 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1CC1 ZINC001038799937 690929197 /nfs/dbraw/zinc/92/91/97/690929197.db2.gz ORFIUYYFRCMIAA-ULQDDVLXSA-N 0 3 306.450 2.348 20 30 DEEDHN N#CC1(NC(=O)CN2CCCC[C@@H](C3CCOCC3)C2)CCC1 ZINC000880576475 690931822 /nfs/dbraw/zinc/93/18/22/690931822.db2.gz CQYVOAIIOJCMEG-MRXNPFEDSA-N 0 3 319.449 2.078 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccnc(F)c2)C1 ZINC001039193267 691047156 /nfs/dbraw/zinc/04/71/56/691047156.db2.gz MGIGNBOMBAUPTM-HZPDHXFCSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ncoc2C)C1 ZINC001039194397 691048109 /nfs/dbraw/zinc/04/81/09/691048109.db2.gz PREDALBIYHZSFG-HOTGVXAUSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cncc(F)c2)C1 ZINC001039197592 691049636 /nfs/dbraw/zinc/04/96/36/691049636.db2.gz QFROMVZJUJZKTO-PBHICJAKSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc(C)sn2)C1 ZINC001039197676 691049643 /nfs/dbraw/zinc/04/96/43/691049643.db2.gz BMKQSOQRCLOPCJ-GDBMZVCRSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cncc(F)c2)C1 ZINC001039197594 691049772 /nfs/dbraw/zinc/04/97/72/691049772.db2.gz QFROMVZJUJZKTO-WMLDXEAASA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ncccc2C)C1 ZINC001039202877 691052800 /nfs/dbraw/zinc/05/28/00/691052800.db2.gz LOUQRXIMHNOQPA-IAGOWNOFSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccns2)C1 ZINC001039212685 691056866 /nfs/dbraw/zinc/05/68/66/691056866.db2.gz YLTMRWATYWQTLG-KGLIPLIRSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2ccoc2)C1 ZINC001039222184 691058680 /nfs/dbraw/zinc/05/86/80/691058680.db2.gz CGHJYSOSVQLVKB-IRXDYDNUSA-N 0 3 300.402 2.158 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc(Cl)no2)C1 ZINC001039257110 691071130 /nfs/dbraw/zinc/07/11/30/691071130.db2.gz 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/nfs/dbraw/zinc/65/52/64/691655264.db2.gz IDFRDQXCUOFMBX-TXKKKEFDSA-N 0 3 311.385 2.329 20 30 DEEDHN Cc1ccccc1C1(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884121405 691659478 /nfs/dbraw/zinc/65/94/78/691659478.db2.gz NXXPDSJQEFTEJZ-NGEICVOHSA-N 0 3 323.440 2.282 20 30 DEEDHN C[C@@H]1Cc2ccccc2N(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884127962 691661534 /nfs/dbraw/zinc/66/15/34/691661534.db2.gz QTQQAVGELGVEKS-KQZBIBICSA-N 0 3 309.413 2.351 20 30 DEEDHN C[C@@H]1CCC[C@@H](CCNC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884134784 691663526 /nfs/dbraw/zinc/66/35/26/691663526.db2.gz RJKSETABRZQXME-VXEMLPKJSA-N 0 3 303.450 2.458 20 30 DEEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccs1 ZINC000884139517 691663963 /nfs/dbraw/zinc/66/39/63/691663963.db2.gz URIFMVWDLHIWGM-BGMSHATGSA-N 0 3 303.431 2.239 20 30 DEEDHN C[C@@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884153992 691668603 /nfs/dbraw/zinc/66/86/03/691668603.db2.gz WPHUFEBZXMZTPV-XZSFARSDSA-N 0 3 309.413 2.099 20 30 DEEDHN CCC[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccn1 ZINC000884213049 691684347 /nfs/dbraw/zinc/68/43/47/691684347.db2.gz SEKRINZSFSAQFT-DYDBFVOFSA-N 0 3 312.417 2.178 20 30 DEEDHN C=CCCN1CC(N(C)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001043273561 691693467 /nfs/dbraw/zinc/69/34/67/691693467.db2.gz MLFVCXLGSIXNAB-UHFFFAOYSA-N 0 3 310.401 2.409 20 30 DEEDHN C=CCC1(O)CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000884298638 691703732 /nfs/dbraw/zinc/70/37/32/691703732.db2.gz YWYKTODBIYXDQI-INIZCTEOSA-N 0 3 321.465 2.116 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CCC[C@H](C3CC3)C1)C2 ZINC000884366961 691721015 /nfs/dbraw/zinc/72/10/15/691721015.db2.gz NMEGFBAUTCHLFP-SWOOZJHCSA-N 0 3 301.434 2.211 20 30 DEEDHN C=C(C)CN1CC(N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001044330421 691807784 /nfs/dbraw/zinc/80/77/84/691807784.db2.gz BMEOXXSGVCVZLK-UHFFFAOYSA-N 0 3 301.434 2.081 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC001045439833 691981148 /nfs/dbraw/zinc/98/11/48/691981148.db2.gz ZCBVREOHVZESQB-UHFFFAOYSA-N 0 3 304.438 2.379 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC001045655834 692011211 /nfs/dbraw/zinc/01/12/11/692011211.db2.gz ASXVSQGJBIZEFS-UHFFFAOYSA-N 0 3 315.373 2.304 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C3CCCCC3)C2)CC1 ZINC001045661289 692011593 /nfs/dbraw/zinc/01/15/93/692011593.db2.gz PURMWEHMVONUHO-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H]3CC[C@H](C4CC4)O3)C2)nc1 ZINC000886215983 692026599 /nfs/dbraw/zinc/02/65/99/692026599.db2.gz UNYBUAWBSIZBCI-BRWVUGGUSA-N 0 3 313.401 2.364 20 30 DEEDHN N#CC1(C[C@@H](O)CN[C@@H](CCO)c2ccccc2F)CCC1 ZINC000886265589 692039658 /nfs/dbraw/zinc/03/96/58/692039658.db2.gz LZDJHWDISZMGLL-CJNGLKHVSA-N 0 3 306.381 2.284 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)SC)C2 ZINC001045918284 692050255 /nfs/dbraw/zinc/05/02/55/692050255.db2.gz ITIPQEYARUDZBQ-RDJZCZTQSA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cocn1)C2 ZINC001045925024 692053618 /nfs/dbraw/zinc/05/36/18/692053618.db2.gz QGHBKRRJKFXYDY-KRWDZBQOSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C1 ZINC000886353296 692064362 /nfs/dbraw/zinc/06/43/62/692064362.db2.gz GFAYWTFDTVYQJS-CQSZACIVSA-N 0 3 318.392 2.138 20 30 DEEDHN C#CC[C@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000886355629 692064559 /nfs/dbraw/zinc/06/45/59/692064559.db2.gz LEXBFFXXEUOACO-HNNXBMFYSA-N 0 3 321.442 2.204 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)CC3=CCCCC3)CC2)C1 ZINC001046011392 692073314 /nfs/dbraw/zinc/07/33/14/692073314.db2.gz CUQUCUUARCDHNH-SFHVURJKSA-N 0 3 317.477 2.281 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C3CCC(=C)CC3)CC2)C1 ZINC001046058627 692079194 /nfs/dbraw/zinc/07/91/94/692079194.db2.gz OPAXRGNSPFKXFA-SFHVURJKSA-N 0 3 317.477 2.137 20 30 DEEDHN C#CCN(C(=O)Cc1csc(C2CC2)n1)C1CCN(C)CC1 ZINC000886572407 692113601 /nfs/dbraw/zinc/11/36/01/692113601.db2.gz LDXKALFJGFDVAR-UHFFFAOYSA-N 0 3 317.458 2.119 20 30 DEEDHN C#CCN(C(=O)Cc1cc(F)c(C)cc1F)C1CCN(C)CC1 ZINC000886574863 692114396 /nfs/dbraw/zinc/11/43/96/692114396.db2.gz WOHZXTLDLKUBKW-UHFFFAOYSA-N 0 3 320.383 2.372 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)c1cccc(OC)c1)C1CCN(C)CC1 ZINC000886583155 692118474 /nfs/dbraw/zinc/11/84/74/692118474.db2.gz DKDXMQHMMOJPFI-HNNXBMFYSA-N 0 3 314.429 2.355 20 30 DEEDHN C#CCN(C(=O)c1cc2ccccc2c(=O)[nH]1)C1CCN(C)CC1 ZINC000886585441 692119701 /nfs/dbraw/zinc/11/97/01/692119701.db2.gz WPJYUMOSASHSJZ-UHFFFAOYSA-N 0 3 323.396 2.110 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001046308609 692147244 /nfs/dbraw/zinc/14/72/44/692147244.db2.gz JWHLTRBCBVUFLF-QGZVFWFLSA-N 0 3 304.438 2.314 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3c2OCCO3)C1 ZINC001046361324 692165537 /nfs/dbraw/zinc/16/55/37/692165537.db2.gz IVDMGZCRMSRABT-GOSISDBHSA-N 0 3 316.401 2.228 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001046368642 692167106 /nfs/dbraw/zinc/16/71/06/692167106.db2.gz FULQLGUUYNDRNK-CYBMUJFWSA-N 0 3 316.327 2.199 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC001046443973 692189694 /nfs/dbraw/zinc/18/96/94/692189694.db2.gz MGODYKMTSKNJRS-IBGZPJMESA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cccc(COC)c2)C1 ZINC001046460246 692193709 /nfs/dbraw/zinc/19/37/09/692193709.db2.gz JLRROLVXDYCWTG-SFHVURJKSA-N 0 3 300.402 2.051 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001046512750 692208875 /nfs/dbraw/zinc/20/88/75/692208875.db2.gz JYJRAOKTCVZBDR-IBGZPJMESA-N 0 3 322.412 2.090 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccnc3ccncc32)C1 ZINC001046513718 692209711 /nfs/dbraw/zinc/20/97/11/692209711.db2.gz AHOHPSPLMXRHLW-SFHVURJKSA-N 0 3 310.401 2.400 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001046568899 692227032 /nfs/dbraw/zinc/22/70/32/692227032.db2.gz WWYKFAXRZWHPLJ-AUUYWEPGSA-N 0 3 312.413 2.400 20 30 DEEDHN C=C1CCC(C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)CC1 ZINC001046593818 692232877 /nfs/dbraw/zinc/23/28/77/692232877.db2.gz ASHFZFUQAGWOOE-GOSISDBHSA-N 0 3 316.449 2.210 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001046659069 692250811 /nfs/dbraw/zinc/25/08/11/692250811.db2.gz RBLVQWVFROVAGI-AZUAARDMSA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2scnc2COC)C1 ZINC001046677540 692258643 /nfs/dbraw/zinc/25/86/43/692258643.db2.gz CEIJQYUYVYSJMC-OAHLLOKOSA-N 0 3 309.435 2.060 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001046701626 692266514 /nfs/dbraw/zinc/26/65/14/692266514.db2.gz FUHUJDKJTQYRNK-CYBMUJFWSA-N 0 3 316.327 2.199 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001046834524 692312452 /nfs/dbraw/zinc/31/24/52/692312452.db2.gz SIURZCSGNBBACS-KRWDZBQOSA-N 0 3 313.405 2.037 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CS(=O)(=O)C[C@@H]2C)c([O-])c1 ZINC000887270488 692319080 /nfs/dbraw/zinc/31/90/80/692319080.db2.gz OHWVYBUEAIMNAD-DWGCLGNMSA-N 0 3 324.446 2.090 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001046965456 692344818 /nfs/dbraw/zinc/34/48/18/692344818.db2.gz BGSFLXZRNGGXBR-CBBWQLFWSA-N 0 3 310.388 2.129 20 30 DEEDHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1)C2)C1CC1 ZINC001047007189 692354971 /nfs/dbraw/zinc/35/49/71/692354971.db2.gz CLNAXQDNWYLQPN-WDSOQIARSA-N 0 3 308.425 2.417 20 30 DEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001047223991 692397377 /nfs/dbraw/zinc/39/73/77/692397377.db2.gz UCJRTUZYIKNFEN-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN N#Cc1csc(CNC(=O)[C@@H]2CCCN2C2CCCC2)n1 ZINC000887980116 692497802 /nfs/dbraw/zinc/49/78/02/692497802.db2.gz ADKVNQPHNAXUHY-ZDUSSCGKSA-N 0 3 304.419 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)NCc2nccn2C)C1 ZINC001047929086 692516018 /nfs/dbraw/zinc/51/60/18/692516018.db2.gz PGFZYYAFRPCXRN-CABCVRRESA-N 0 3 318.465 2.349 20 30 DEEDHN Cc1csc(CNC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001048253556 692584041 /nfs/dbraw/zinc/58/40/41/692584041.db2.gz QDWJVZSKOZJPQM-SWLSCSKDSA-N 0 3 317.458 2.049 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)cc1 ZINC001048648357 692667086 /nfs/dbraw/zinc/66/70/86/692667086.db2.gz DUXCVVLLJOLVLP-CALCHBBNSA-N 0 3 321.380 2.355 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4nc3C)C[C@@H]2C1 ZINC001048850164 692709368 /nfs/dbraw/zinc/70/93/68/692709368.db2.gz ZGYISDUYTJTRPX-CALCHBBNSA-N 0 3 319.408 2.180 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3coc4c3cccc4C)C[C@@H]2C1 ZINC001048864916 692713048 /nfs/dbraw/zinc/71/30/48/692713048.db2.gz PVUQMCGTJMLYIC-GASCZTMLSA-N 0 3 308.381 2.378 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3oc(C(F)F)cc3C)C[C@@H]2C1 ZINC001048874196 692714089 /nfs/dbraw/zinc/71/40/89/692714089.db2.gz DMOAXVNJVLODPI-TXEJJXNPSA-N 0 3 308.328 2.163 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)c3c(F)cccc3F)C[C@@H]2C1 ZINC001048939573 692727402 /nfs/dbraw/zinc/72/74/02/692727402.db2.gz SILHXXKKCFPYKQ-MCIONIFRSA-N 0 3 318.367 2.092 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCCC3(F)F)C[C@@H]2C1 ZINC001048959023 692730863 /nfs/dbraw/zinc/73/08/63/692730863.db2.gz AZAFNVTVJMPXSS-ZNMIVQPWSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCc3cccc(C)c3)C[C@@H]2C1 ZINC001048964081 692731890 /nfs/dbraw/zinc/73/18/90/692731890.db2.gz GHOMOHFXAMYMBB-KDURUIRLSA-N 0 3 310.441 2.341 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3nccc4ccccc43)C[C@@H]2C1 ZINC001049014661 692743466 /nfs/dbraw/zinc/74/34/66/692743466.db2.gz LIPAAGAPJPBUND-CALCHBBNSA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3scnc3C(C)C)C[C@@H]2C1 ZINC001049103959 692766014 /nfs/dbraw/zinc/76/60/14/692766014.db2.gz JJAHHUCFFUIZEB-OKILXGFUSA-N 0 3 317.458 2.294 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)c3ccccc3F)C[C@@H]2C1 ZINC001049118533 692768621 /nfs/dbraw/zinc/76/86/21/692768621.db2.gz BDEXXFYIGBZLAR-OAGGEKHMSA-N 0 3 314.404 2.343 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)Cc3ccccc3)C[C@@H]2C1 ZINC001049155473 692776415 /nfs/dbraw/zinc/77/64/15/692776415.db2.gz PESLEPZIRCNPMO-HDICACEKSA-N 0 3 310.441 2.279 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccccc3OC(C)C)C[C@@H]2C1 ZINC001049182457 692781874 /nfs/dbraw/zinc/78/18/74/692781874.db2.gz PIFLXUPETGGWEG-IYBDPMFKSA-N 0 3 312.413 2.111 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001049186425 692784083 /nfs/dbraw/zinc/78/40/83/692784083.db2.gz SOGHOQOGOAKVGB-OKILXGFUSA-N 0 3 322.330 2.342 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)c3ccc(F)cc3)C[C@@H]2C1 ZINC001049228489 692795694 /nfs/dbraw/zinc/79/56/94/692795694.db2.gz FCZMFVZOOHVQCS-OIISXLGYSA-N 0 3 314.404 2.343 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cnc(C(C)C)s3)C[C@@H]2C1 ZINC001049255775 692801205 /nfs/dbraw/zinc/80/12/05/692801205.db2.gz LTBYZAJRFQXKPZ-OKILXGFUSA-N 0 3 317.458 2.294 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CCCC1 ZINC001049350324 692850770 /nfs/dbraw/zinc/85/07/70/692850770.db2.gz RJRRSLVWNRKQTQ-IAGOWNOFSA-N 0 3 304.434 2.034 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(SCC)c[nH]c2=O)CC1 ZINC000932140858 694558969 /nfs/dbraw/zinc/55/89/69/694558969.db2.gz KWDPUJGASNHCBQ-UHFFFAOYSA-N 0 3 321.446 2.279 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(C)C)n(C)n1 ZINC001049461201 692889018 /nfs/dbraw/zinc/88/90/18/692889018.db2.gz RNIMOVZGMNIJLH-HZPDHXFCSA-N 0 3 316.449 2.408 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccnn1CC(F)F ZINC001049475689 692893872 /nfs/dbraw/zinc/89/38/72/692893872.db2.gz AKOKREFPJICHCG-STQMWFEESA-N 0 3 324.375 2.013 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1cn2ccccc2n1 ZINC001049549210 692918967 /nfs/dbraw/zinc/91/89/67/692918967.db2.gz ONQFEEFCWKTUPU-IAGOWNOFSA-N 0 3 324.428 2.128 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(N(C)C)nc1 ZINC001049569179 692924638 /nfs/dbraw/zinc/92/46/38/692924638.db2.gz YDTIRDURTBSQSL-CVEARBPZSA-N 0 3 314.433 2.013 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccn2nccc12 ZINC001049567371 692924744 /nfs/dbraw/zinc/92/47/44/692924744.db2.gz KWAKODYRBZGFMI-DLBZAZTESA-N 0 3 310.401 2.199 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]nc1C(C)C ZINC001049569970 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C=CCN1C[C@@H]2CCCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1 ZINC001050188612 693133250 /nfs/dbraw/zinc/13/32/50/693133250.db2.gz GLBFIIZJZPEJDR-WMLDXEAASA-N 0 3 324.428 2.296 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](OC)C3CCCC3)[C@@H]2C1 ZINC001050192230 693135053 /nfs/dbraw/zinc/13/50/53/693135053.db2.gz ZUWWQTWUJALCPR-GVDBMIGSSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)COc3ccccc3C)[C@@H]2C1 ZINC001050196277 693135446 /nfs/dbraw/zinc/13/54/46/693135446.db2.gz CYZKEHPLRSXXIA-DLBZAZTESA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)n(C)c3C)[C@@H]2C1 ZINC001050198170 693136276 /nfs/dbraw/zinc/13/62/76/693136276.db2.gz BWRXGTMVSDXMSB-DOTOQJQBSA-N 0 3 301.434 2.364 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cccc(F)c3)C2)CC1 ZINC001050415550 693177192 /nfs/dbraw/zinc/17/71/92/693177192.db2.gz BXISITSMDOLNBO-UHFFFAOYSA-N 0 3 300.377 2.387 20 30 DEEDHN C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924835230 693191698 /nfs/dbraw/zinc/19/16/98/693191698.db2.gz 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/nfs/dbraw/zinc/68/90/38/693689038.db2.gz AIOGEENAGPCSEN-HOTGVXAUSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2nccs2)C1 ZINC001053104998 693690282 /nfs/dbraw/zinc/69/02/82/693690282.db2.gz RCTJEXMAQRJKLD-CABCVRRESA-N 0 3 317.458 2.483 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000932375206 694603533 /nfs/dbraw/zinc/60/35/33/694603533.db2.gz LPNQGTAEECARAQ-APWZRJJASA-N 0 3 323.396 2.434 20 30 DEEDHN N#CCc1cccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)n1 ZINC000932424897 694611408 /nfs/dbraw/zinc/61/14/08/694611408.db2.gz PDOZPXBYAPPJHU-HNNXBMFYSA-N 0 3 313.405 2.286 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001402249955 1162306014 /nfs/dbraw/zinc/30/60/14/1162306014.db2.gz RODWRKODVLJKED-ZDUSSCGKSA-N 0 3 309.410 2.352 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H]1CCC=CCCC1)C2 ZINC001343057057 1150667015 /nfs/dbraw/zinc/66/70/15/1150667015.db2.gz ZLKLCIFHVVBFOC-UERKLNTKSA-N 0 3 301.434 2.378 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001344651383 1150833318 /nfs/dbraw/zinc/83/33/18/1150833318.db2.gz IDAMQIQCPWTCHJ-WCBMZHEXSA-N 0 3 314.710 2.349 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001480196900 1151717158 /nfs/dbraw/zinc/71/71/58/1151717158.db2.gz NMKRMIFUQQNAON-HONMWMINSA-N 0 3 321.808 2.245 20 30 DEEDHN C[C@H](CNC(=O)c1ccccc1[O-])C[NH2+]Cc1ccc(C#N)cc1 ZINC001378533337 1152365337 /nfs/dbraw/zinc/36/53/37/1152365337.db2.gz LORLSAKMWOAWIX-AWEZNQCLSA-N 0 3 323.396 2.420 20 30 DEEDHN COC(=O)C[C@@H]1CCCCN1C[C@H](O)c1cccc(C#N)c1 ZINC001414029158 1152531280 /nfs/dbraw/zinc/53/12/80/1152531280.db2.gz NBBGJOUULJKXFJ-HOTGVXAUSA-N 0 3 302.374 2.009 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CCCCN1C)C(C)(C)C ZINC001380077553 1152746718 /nfs/dbraw/zinc/74/67/18/1152746718.db2.gz QLEWMNVXURKMKL-UONOGXRCSA-N 0 3 315.889 2.344 20 30 DEEDHN C[C@@H](CCNC(=O)CC(F)(F)F)NCc1ccccc1C#N ZINC001381182405 1152939478 /nfs/dbraw/zinc/93/94/78/1152939478.db2.gz UOXZJBUNSZJQRU-NSHDSACASA-N 0 3 313.323 2.495 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001480639362 1152978661 /nfs/dbraw/zinc/97/86/61/1152978661.db2.gz ZGVWTIWIZPLICS-ZDUSSCGKSA-N 0 3 324.371 2.106 20 30 DEEDHN C[C@@H]([N-]C(=O)C(C)(F)F)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001381347099 1153013461 /nfs/dbraw/zinc/01/34/61/1153013461.db2.gz HMNXECXBHBQCQR-VHSXEESVSA-N 0 3 313.323 2.335 20 30 DEEDHN Cc1cnoc1C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001381440186 1153062170 /nfs/dbraw/zinc/06/21/70/1153062170.db2.gz UAMQOOGTHXUSIY-WDEREUQCSA-N 0 3 318.402 2.213 20 30 DEEDHN Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N)c(C)s1 ZINC001381472657 1153078866 /nfs/dbraw/zinc/07/88/66/1153078866.db2.gz QMEQSOKYLOGTCD-LLVKDONJSA-N 0 3 322.478 2.494 20 30 DEEDHN Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)n1C ZINC001381497824 1153093059 /nfs/dbraw/zinc/09/30/59/1153093059.db2.gz BVIDTDNBUFUCGV-HNNXBMFYSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001402923410 1162542083 /nfs/dbraw/zinc/54/20/83/1162542083.db2.gz AKYVKTVVGZJAPC-DISOXQEGSA-N 0 3 319.836 2.422 20 30 DEEDHN CCc1nocc1CNC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001382516472 1153460164 /nfs/dbraw/zinc/46/01/64/1153460164.db2.gz BWHJRAZWHUDYBT-FZMZJTMJSA-N 0 3 306.410 2.017 20 30 DEEDHN CN1C[C@@H](NC(=O)c2cccc(SCC#N)c2)C(C)(C)C1 ZINC001363610300 1153485587 /nfs/dbraw/zinc/48/55/87/1153485587.db2.gz AGKLXPFNWFWSJB-CQSZACIVSA-N 0 3 303.431 2.372 20 30 DEEDHN CC(C)(C)OC(=O)NC1(CO)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001363817367 1153647604 /nfs/dbraw/zinc/64/76/04/1153647604.db2.gz XCJCVKGTBKASEN-KBPBESRZSA-N 0 3 323.437 2.030 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1cccnc1 ZINC001402958625 1162574347 /nfs/dbraw/zinc/57/43/47/1162574347.db2.gz RYRCELMXIMXJFM-VXGBXAGGSA-N 0 3 314.414 2.311 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001388662275 1155059658 /nfs/dbraw/zinc/05/96/58/1155059658.db2.gz ASRJGEOKUXOJQD-XBXGTLAGSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001389359574 1155319398 /nfs/dbraw/zinc/31/93/98/1155319398.db2.gz TZGGFIAKZJCZOS-ZFWWWQNUSA-N 0 3 324.856 2.074 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)n1cccc1)NCc1ccc(C#N)s1 ZINC001371151476 1155739453 /nfs/dbraw/zinc/73/94/53/1155739453.db2.gz SZRJDFULRKEQOP-CHWSQXEVSA-N 0 3 316.430 2.277 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H]1CC1(F)F ZINC001390665508 1155832070 /nfs/dbraw/zinc/83/20/70/1155832070.db2.gz WBSSDCHTWUDHNT-IUCAKERBSA-N 0 3 311.170 2.035 20 30 DEEDHN CS[C@H](C)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001371722662 1155968551 /nfs/dbraw/zinc/96/85/51/1155968551.db2.gz SKSKSXCTIYOQAN-QWHCGFSZSA-N 0 3 305.447 2.294 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1snnc1C)C1CC1 ZINC001391779313 1156801012 /nfs/dbraw/zinc/80/10/12/1156801012.db2.gz FERMZQZONRTFIU-ZDUSSCGKSA-N 0 3 314.842 2.087 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001391885696 1156824588 /nfs/dbraw/zinc/82/45/88/1156824588.db2.gz NLJKPVLXPPDPDX-ZDUSSCGKSA-N 0 3 310.401 2.351 20 30 DEEDHN Cc1ncc(CNC[C@H](CC(C)C)NC(=O)[C@@H](C)C#N)s1 ZINC001392149252 1156876416 /nfs/dbraw/zinc/87/64/16/1156876416.db2.gz PKZXGMIRDLOIKF-AAEUAGOBSA-N 0 3 308.451 2.232 20 30 DEEDHN CC[C@@H](F)CNC[C@@H](CC(C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC001392169205 1156880534 /nfs/dbraw/zinc/88/05/34/1156880534.db2.gz OKRIJTAWIZIFBJ-UKRRQHHQSA-N 0 3 308.401 2.369 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccnc2[nH]cnc21)C(C)C ZINC001392219643 1156895248 /nfs/dbraw/zinc/89/52/48/1156895248.db2.gz VXOGFRMIEZVTOH-LBPRGKRZSA-N 0 3 321.812 2.054 20 30 DEEDHN CCCC[C@@H](CNCc1ncccc1C)NC(=O)[C@@H](C)C#N ZINC001403264013 1162830803 /nfs/dbraw/zinc/83/08/03/1162830803.db2.gz BGLLFFLWMJJIEK-GJZGRUSLSA-N 0 3 302.422 2.314 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001403287697 1162839494 /nfs/dbraw/zinc/83/94/94/1162839494.db2.gz NICWQKODBVAGAB-HNNXBMFYSA-N 0 3 315.889 2.440 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1nccs1 ZINC001392599945 1157196294 /nfs/dbraw/zinc/19/62/94/1157196294.db2.gz HQCUXQFTWPOAJC-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccns1 ZINC001392659525 1157305321 /nfs/dbraw/zinc/30/53/21/1157305321.db2.gz UYVUNCOGCQXNCU-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H](NC(=O)[C@H](C)C#N)C1CC1 ZINC001392775677 1157404832 /nfs/dbraw/zinc/40/48/32/1157404832.db2.gz WIYMBAAJHBQSLG-CZUORRHYSA-N 0 3 315.417 2.148 20 30 DEEDHN COc1ccc(C)cc1CNC[C@H](NC(=O)[C@H](C)C#N)C1CC1 ZINC001392775674 1157405292 /nfs/dbraw/zinc/40/52/92/1157405292.db2.gz WIYMBAAJHBQSLG-CJNGLKHVSA-N 0 3 315.417 2.148 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1cnn(CC)c1)C1CC1 ZINC001373901609 1157448052 /nfs/dbraw/zinc/44/80/52/1157448052.db2.gz SSQMDOXHTOUVFO-INIZCTEOSA-N 0 3 324.856 2.073 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1cncs1)C1CCCCC1 ZINC001374357760 1157825440 /nfs/dbraw/zinc/82/54/40/1157825440.db2.gz JFFYULCSEHPNIS-SWLSCSKDSA-N 0 3 320.462 2.457 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001393528196 1157852134 /nfs/dbraw/zinc/85/21/34/1157852134.db2.gz RWTVESZCYHXVRP-SWLSCSKDSA-N 0 3 315.392 2.482 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](C)NC(=O)C1CCC1 ZINC001393909699 1158061038 /nfs/dbraw/zinc/06/10/38/1158061038.db2.gz LPMQRBQATPPPDC-QWHCGFSZSA-N 0 3 315.417 2.350 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCN(C)C(=O)CN1CCC[C@H]1C ZINC001492826795 1158243395 /nfs/dbraw/zinc/24/33/95/1158243395.db2.gz JCBONPBDKXIYGM-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN COCCN(CCNC(=O)[C@H](C)C#N)[C@H](C)c1cccc(C)c1 ZINC001394830310 1158806681 /nfs/dbraw/zinc/80/66/81/1158806681.db2.gz SGSLDQFHGNGSIE-HZPDHXFCSA-N 0 3 317.433 2.280 20 30 DEEDHN C=C(Cl)CN1CCC(C)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001375774997 1158868534 /nfs/dbraw/zinc/86/85/34/1158868534.db2.gz IFOFAAZOVIQIDY-CYBMUJFWSA-N 0 3 301.862 2.050 20 30 DEEDHN Cc1cncc(CN2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)c1 ZINC001375910271 1158960588 /nfs/dbraw/zinc/96/05/88/1158960588.db2.gz JKKFYQFSNLIRJK-OAHLLOKOSA-N 0 3 314.433 2.268 20 30 DEEDHN CO[C@@H](C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001403591067 1163028894 /nfs/dbraw/zinc/02/88/94/1163028894.db2.gz BGWISWVMYXEYDR-SWLSCSKDSA-N 0 3 323.462 2.227 20 30 DEEDHN C[C@H](CNC(=O)COC(C)(C)C)NCc1ccc(F)c(C#N)c1 ZINC001376716483 1159718683 /nfs/dbraw/zinc/71/86/83/1159718683.db2.gz UDMGICRIOBLZTA-GFCCVEGCSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001377069174 1159890020 /nfs/dbraw/zinc/89/00/20/1159890020.db2.gz SNFKAOHXVVDVEP-QJPTWQEYSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001397178599 1160035147 /nfs/dbraw/zinc/03/51/47/1160035147.db2.gz YUADDUUGUHZCQM-QWHCGFSZSA-N 0 3 324.856 2.314 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncn2ccc(C)cc12 ZINC001377453230 1160380014 /nfs/dbraw/zinc/38/00/14/1160380014.db2.gz LCRWASCTCHHCRM-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN Cc1nocc1CN1CC[C@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C1 ZINC001397815824 1160539069 /nfs/dbraw/zinc/53/90/69/1160539069.db2.gz RWSLDQZTBLUKLH-WFASDCNBSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)C(C)(C)F)C1 ZINC001377672718 1160701770 /nfs/dbraw/zinc/70/17/70/1160701770.db2.gz FUHXJWHMAGXXCJ-UHFFFAOYSA-N 0 3 307.207 2.128 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C1CCN(CCc2ccccc2F)CC1 ZINC001398186016 1160810390 /nfs/dbraw/zinc/81/03/90/1160810390.db2.gz PLNAIIBRNKSYRO-AWEZNQCLSA-N 0 3 317.408 2.451 20 30 DEEDHN Cc1nc(C(C)C)ccc1CN[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001398891166 1161139315 /nfs/dbraw/zinc/13/93/15/1161139315.db2.gz VVMBPRCANWBILX-STQMWFEESA-N 0 3 302.422 2.267 20 30 DEEDHN CCN(CCNC(=O)c1ccn(C)c1C)Cc1cccc(C#N)c1 ZINC001399761927 1161556235 /nfs/dbraw/zinc/55/62/35/1161556235.db2.gz OBOMILMASGXJAF-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C=C(Br)CNCC1(NC(=O)C(F)F)CCCC1 ZINC001400909728 1161844676 /nfs/dbraw/zinc/84/46/76/1161844676.db2.gz VECMRTHRJWLVAL-UHFFFAOYSA-N 0 3 311.170 2.179 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H]2CCCO2)CCCC1 ZINC001400910168 1161845148 /nfs/dbraw/zinc/84/51/48/1161845148.db2.gz FLJQNWMDOJZLPM-ZDUSSCGKSA-N 0 3 300.830 2.327 20 30 DEEDHN C[C@@H](CNCc1cc(O)ccc1Cl)CNC(=O)[C@@H](C)C#N ZINC001401101589 1161873172 /nfs/dbraw/zinc/87/31/72/1161873172.db2.gz HYWMTRPWEDKGNY-QWRGUYRKSA-N 0 3 309.797 2.047 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001401203541 1161893330 /nfs/dbraw/zinc/89/33/30/1161893330.db2.gz MGPIRILLLOUXLI-OLZOCXBDSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@@H]1CC12CC2 ZINC001401239158 1161901228 /nfs/dbraw/zinc/90/12/28/1161901228.db2.gz BXFZNBZAXJXYOW-RISCZKNCSA-N 0 3 303.431 2.356 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@]12C[C@H]1CCC2 ZINC001401635639 1162053886 /nfs/dbraw/zinc/05/38/86/1162053886.db2.gz YVFDYNIIMLYCQG-XHBSWPGZSA-N 0 3 303.431 2.404 20 30 DEEDHN CO[C@@H](C)CC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001401841603 1162151043 /nfs/dbraw/zinc/15/10/43/1162151043.db2.gz MWPKKSFVJBYLKR-XHDPSFHLSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H](C)OCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001401938590 1162189556 /nfs/dbraw/zinc/18/95/56/1162189556.db2.gz UNDBOTVHJNQWDK-CQSZACIVSA-N 0 3 315.417 2.112 20 30 DEEDHN CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccc(F)cc1 ZINC001492935210 1163800640 /nfs/dbraw/zinc/80/06/40/1163800640.db2.gz ZHVVGNQHMGYKEA-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001405193279 1164006233 /nfs/dbraw/zinc/00/62/33/1164006233.db2.gz GGABEIOTZBWYMB-IUODEOHRSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001405235856 1164025054 /nfs/dbraw/zinc/02/50/54/1164025054.db2.gz ZEGKZELBXSXQHR-DOMZBBRYSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnn(CC)c2)CCCC1 ZINC001405748731 1164217121 /nfs/dbraw/zinc/21/71/21/1164217121.db2.gz XSFLUHOWNXNCBD-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1nccs1 ZINC001405865772 1164300139 /nfs/dbraw/zinc/30/01/39/1164300139.db2.gz FBIPEFKIEXHSBE-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)Cc1ccc(C)c(OC)c1 ZINC001492950019 1164515409 /nfs/dbraw/zinc/51/54/09/1164515409.db2.gz GKYRLIBRDUSLNI-UHFFFAOYSA-N 0 3 314.429 2.355 20 30 DEEDHN CS[C@H](C)CC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001406908359 1164879210 /nfs/dbraw/zinc/87/92/10/1164879210.db2.gz OUFHMJQNMZDAJV-CYBMUJFWSA-N 0 3 317.458 2.438 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccns1 ZINC001407516764 1165178530 /nfs/dbraw/zinc/17/85/30/1165178530.db2.gz AXCKOEURGWDCHX-YIYPIFLZSA-N 0 3 318.446 2.162 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001408207272 1165531909 /nfs/dbraw/zinc/53/19/09/1165531909.db2.gz RYHTWBHKWPGRRW-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001417898241 1167290945 /nfs/dbraw/zinc/29/09/45/1167290945.db2.gz HWRRHAFUKZWEDG-CABCVRRESA-N 0 3 324.856 2.303 20 30 DEEDHN N#Cc1ccc(C(=O)NCCC2CCN(C/C=C\Cl)CC2)[nH]1 ZINC001419395940 1168443570 /nfs/dbraw/zinc/44/35/70/1168443570.db2.gz OOZPLKSWTCKAPP-XFSBKJJWSA-N 0 3 320.824 2.471 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)CN1CC[C@H](C)C1 ZINC001419609067 1168668429 /nfs/dbraw/zinc/66/84/29/1168668429.db2.gz OJHOXTPFEDOQJZ-DZGCQCFKSA-N 0 3 313.873 2.051 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001419708220 1168812525 /nfs/dbraw/zinc/81/25/25/1168812525.db2.gz UJDOFKNSSADQGQ-IUODEOHRSA-N 0 3 321.396 2.251 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1cccnc1)C(C)C ZINC001419884739 1168890919 /nfs/dbraw/zinc/89/09/19/1168890919.db2.gz AGQTVQKQNDEYHS-HNNXBMFYSA-N 0 3 309.841 2.497 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(Cl)no1)C(C)C ZINC001419932464 1168952876 /nfs/dbraw/zinc/95/28/76/1168952876.db2.gz ASCMPSBFOKVFNM-VIFPVBQESA-N 0 3 306.193 2.425 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cncs1 ZINC001420394547 1169466662 /nfs/dbraw/zinc/46/66/62/1169466662.db2.gz QOPOYFXQGZKPOU-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)C2CCC2)C2CC2)c(F)c1 ZINC001420717679 1171081953 /nfs/dbraw/zinc/08/19/53/1171081953.db2.gz SALWXKIVXRATFR-QGZVFWFLSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1nsc(C)c1CNC[C@@](C)(NC(=O)[C@@H](C)C#N)C1CC1 ZINC001421553709 1171845645 /nfs/dbraw/zinc/84/56/45/1171845645.db2.gz YZUODFZOKFWBOL-MGPLVRAMSA-N 0 3 320.462 2.294 20 30 DEEDHN C[C@H](CNC/C(Cl)=C\Cl)CNC(=O)c1cc(C#N)c[nH]1 ZINC001421671507 1171892839 /nfs/dbraw/zinc/89/28/39/1171892839.db2.gz HYDUYHJWRWYASG-HBAUCTPOSA-N 0 3 315.204 2.161 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccoc1 ZINC001421865013 1172062591 /nfs/dbraw/zinc/06/25/91/1172062591.db2.gz BXOQFNALWNWWHL-LLVKDONJSA-N 0 3 303.387 2.463 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)COC(C)(C)C ZINC001421881991 1172085490 /nfs/dbraw/zinc/08/54/90/1172085490.db2.gz BEYCZCLZQNMVOO-GFCCVEGCSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1ccccn1)C1CCCCC1 ZINC001422039485 1172247713 /nfs/dbraw/zinc/24/77/13/1172247713.db2.gz XCVCLXIGQDVYEZ-YOEHRIQHSA-N 0 3 314.433 2.396 20 30 DEEDHN Cc1nc(C(C)C)oc1CNCC1CC(NC(=O)[C@@H](C)C#N)C1 ZINC001422253686 1172441191 /nfs/dbraw/zinc/44/11/91/1172441191.db2.gz DCTIIGXGGJZCKB-XGNXJENSSA-N 0 3 318.421 2.251 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001422915141 1172928905 /nfs/dbraw/zinc/92/89/05/1172928905.db2.gz VDCZGVAKBUJFRS-JOCQHMNTSA-N 0 3 322.840 2.198 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001423015674 1173017339 /nfs/dbraw/zinc/01/73/39/1173017339.db2.gz ZMMDLUNYZDVREW-JGFGOQIWSA-N 0 3 315.392 2.338 20 30 DEEDHN CCn1cccc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001423304848 1173221445 /nfs/dbraw/zinc/22/14/45/1173221445.db2.gz VAHGMOAZNZJOFI-UHFFFAOYSA-N 0 3 322.412 2.432 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)CCCF)C1 ZINC001423690400 1173492566 /nfs/dbraw/zinc/49/25/66/1173492566.db2.gz MYTUPQDSNFDNAQ-UHFFFAOYSA-N 0 3 307.207 2.224 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)CC2)co1 ZINC001423976351 1173598341 /nfs/dbraw/zinc/59/83/41/1173598341.db2.gz CEVAKVKYGCULHC-QEJZJMRPSA-N 0 3 318.421 2.155 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1csc(COC)n1 ZINC001424625850 1173850756 /nfs/dbraw/zinc/85/07/56/1173850756.db2.gz STQBLRAZGJECEH-JTQLQIEISA-N 0 3 317.842 2.140 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)CCCn2ccnc2C)[C@@H]1C ZINC001425888813 1174499230 /nfs/dbraw/zinc/49/92/30/1174499230.db2.gz PUKTUCPCTAVAKF-UKRRQHHQSA-N 0 3 324.856 2.303 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H](c3ncccn3)C2)c1 ZINC001434492005 1178663332 /nfs/dbraw/zinc/66/33/32/1178663332.db2.gz GECUJLHAIMHEOP-HNNXBMFYSA-N 0 3 321.384 2.166 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H](CC)SC)C1 ZINC001436889602 1179291575 /nfs/dbraw/zinc/29/15/75/1179291575.db2.gz SFQZNKINODEURH-DCAQKATOSA-N 0 3 321.284 2.273 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCC(NCc2cc(C3CC3)no2)CC1 ZINC001437096610 1179401801 /nfs/dbraw/zinc/40/18/01/1179401801.db2.gz RUXKNPXJBFZZFQ-LMWSTFAQSA-N 0 3 316.405 2.229 20 30 DEEDHN CCCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(F)c(C#N)c1 ZINC001437746535 1179936491 /nfs/dbraw/zinc/93/64/91/1179936491.db2.gz SIIWUGRAUISVMB-CYBMUJFWSA-N 0 3 316.380 2.185 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001438475444 1180475277 /nfs/dbraw/zinc/47/52/77/1180475277.db2.gz KTTICKSKASFYCL-QWHCGFSZSA-N 0 3 305.447 2.152 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(N[C@H]2CCc3c2cccc3F)CC1 ZINC001439594593 1181161804 /nfs/dbraw/zinc/16/18/04/1181161804.db2.gz CQBIVOSFARFSHW-NHYWBVRUSA-N 0 3 301.365 2.211 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001439769581 1181228364 /nfs/dbraw/zinc/22/83/64/1181228364.db2.gz VLOFNLSUFTXHLX-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001440284896 1181425418 /nfs/dbraw/zinc/42/54/18/1181425418.db2.gz FBNVBTJPQVRPTA-CORIIIEPSA-N 0 3 324.856 2.151 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H](C)NC(=O)C(C)C ZINC001440795879 1181697339 /nfs/dbraw/zinc/69/73/39/1181697339.db2.gz ZZTSHPKWARMZKF-STQMWFEESA-N 0 3 303.406 2.206 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440901698 1181752509 /nfs/dbraw/zinc/75/25/09/1181752509.db2.gz PVIDQIGMUAFJNZ-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](C)N(C)CCOc1ccccc1Cl ZINC001440919946 1181775111 /nfs/dbraw/zinc/77/51/11/1181775111.db2.gz XLFWBNMSNVBJEN-STQMWFEESA-N 0 3 323.824 2.315 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441507786 1182031637 /nfs/dbraw/zinc/03/16/37/1182031637.db2.gz WKETXIFXQGBTQS-RYUDHWBXSA-N 0 3 323.437 2.385 20 30 DEEDHN C[C@H](CNC(=O)C1CC2(CC2)C1)NCc1ccc(C#N)c(F)c1 ZINC001441944799 1182262470 /nfs/dbraw/zinc/26/24/70/1182262470.db2.gz LZDPIHRAWMJECP-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN COCCC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001441991416 1182278765 /nfs/dbraw/zinc/27/87/65/1182278765.db2.gz ZGOCRQPRYDESOB-GFCCVEGCSA-N 0 3 323.462 2.277 20 30 DEEDHN C[C@H](CCNC(=O)CC1CC1)NCc1cc(C#N)ccc1F ZINC001442211465 1182368047 /nfs/dbraw/zinc/36/80/47/1182368047.db2.gz DTDTYGPIJSIFBV-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC[C@H]2CCOC2)C1 ZINC001442231801 1182381065 /nfs/dbraw/zinc/38/10/65/1182381065.db2.gz PFGJYVIXFWTENW-HSBZDZAISA-N 0 3 300.830 2.135 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001442727821 1182670295 /nfs/dbraw/zinc/67/02/95/1182670295.db2.gz YVHTYVISUSGECF-UHFFFAOYSA-N 0 3 318.417 2.086 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001442840486 1182739046 /nfs/dbraw/zinc/73/90/46/1182739046.db2.gz NLMVTMQZFVPSJI-OAHLLOKOSA-N 0 3 303.381 2.244 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cn2nc(C)cc2C)CCCC1 ZINC001444528922 1183434252 /nfs/dbraw/zinc/43/42/52/1183434252.db2.gz WXDNWBSJBZQZHR-UHFFFAOYSA-N 0 3 324.856 2.271 20 30 DEEDHN COc1cccc([C@@H](C)N(C)CCN(C)C(=O)[C@@H](C)C#N)c1 ZINC001444956053 1183670731 /nfs/dbraw/zinc/67/07/31/1183670731.db2.gz MVWOCILJNFOITR-UONOGXRCSA-N 0 3 303.406 2.306 20 30 DEEDHN CN(CCc1cccs1)CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001444971593 1183679972 /nfs/dbraw/zinc/67/99/72/1183679972.db2.gz LOCMLSPSRGSKJL-UHFFFAOYSA-N 0 3 316.430 2.194 20 30 DEEDHN Cc1ncc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)s1 ZINC001445527689 1183893351 /nfs/dbraw/zinc/89/33/51/1183893351.db2.gz IHGNHZXMOOSGBS-VIFPVBQESA-N 0 3 320.443 2.293 20 30 DEEDHN Cc1ncccc1CN1CCC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001446654944 1184474977 /nfs/dbraw/zinc/47/49/77/1184474977.db2.gz ALAJITONRNCZBV-KSSFIOAISA-N 0 3 314.433 2.268 20 30 DEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1(C)CC1 ZINC001447864700 1184902401 /nfs/dbraw/zinc/90/24/01/1184902401.db2.gz XORAQIBXCSBSNR-RYUDHWBXSA-N 0 3 303.381 2.480 20 30 DEEDHN CCc1nocc1CNCC1(NC(=O)[C@@H](C)C#N)CCCCC1 ZINC001448220126 1185119466 /nfs/dbraw/zinc/11/94/66/1185119466.db2.gz HCTABAZNHFCQNK-ZDUSSCGKSA-N 0 3 318.421 2.305 20 30 DEEDHN CCCC[C@H](CNCc1cc(C)ns1)NC(=O)[C@H](C)C#N ZINC001448254003 1185132802 /nfs/dbraw/zinc/13/28/02/1185132802.db2.gz RXXMJUNOFJPYMP-DGCLKSJQSA-N 0 3 308.451 2.376 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001448574099 1185301503 /nfs/dbraw/zinc/30/15/03/1185301503.db2.gz JUTKDJUWQVJMIE-ZBEGNZNMSA-N 0 3 321.371 2.451 20 30 DEEDHN C=C(Br)CNC[C@H](C1CC1)N(C)C(=O)[C@@H](F)CC ZINC001448598147 1185314749 /nfs/dbraw/zinc/31/47/49/1185314749.db2.gz XQBHQWVZFYNCOZ-NWDGAFQWSA-N 0 3 321.234 2.470 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc2nsnc21 ZINC001448872822 1185444654 /nfs/dbraw/zinc/44/46/54/1185444654.db2.gz MRABKPNRYREAPB-UHFFFAOYSA-N 0 3 318.446 2.200 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)(C)C)CCOCC1CCC1 ZINC001492950041 1164515508 /nfs/dbraw/zinc/51/55/08/1164515508.db2.gz GWDFURRKCCDMFG-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001332033262 1149810926 /nfs/dbraw/zinc/81/09/26/1149810926.db2.gz TXBCMTGPURLTEZ-HOCLYGCPSA-N 0 3 316.449 2.358 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406583959 1164694891 /nfs/dbraw/zinc/69/48/91/1164694891.db2.gz JKWBXBSHQBFTHK-KGLIPLIRSA-N 0 3 319.474 2.494 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)Oc3ccccn3)CCC[C@@H]12 ZINC001332110650 1149820493 /nfs/dbraw/zinc/82/04/93/1149820493.db2.gz JTNKCLMRASUHTB-IIDMSEBBSA-N 0 3 315.417 2.148 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2ccc(C)nc2)[C@@H]1C ZINC001332162859 1149828100 /nfs/dbraw/zinc/82/81/00/1149828100.db2.gz YCVDGUVZEASODW-RDJZCZTQSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C(F)(F)F)no3)C2)C1 ZINC001072833550 790265507 /nfs/dbraw/zinc/26/55/07/790265507.db2.gz BRMOOQYZQGUJAU-UHFFFAOYSA-N 0 3 315.295 2.027 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001332292570 1149845303 /nfs/dbraw/zinc/84/53/03/1149845303.db2.gz MUBRRFYPIKILMH-VXGBXAGGSA-N 0 3 308.451 2.125 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3Cc4ccc(F)cc43)C2)C1 ZINC001072918002 790301475 /nfs/dbraw/zinc/30/14/75/790301475.db2.gz MSHICQRZVGFAHY-MRXNPFEDSA-N 0 3 300.377 2.186 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc(F)c(F)c3)C2)C1 ZINC001072924777 790306006 /nfs/dbraw/zinc/30/60/06/790306006.db2.gz VCMPHURONMVJGG-UHFFFAOYSA-N 0 3 306.356 2.228 20 30 DEEDHN C=CCOCC[NH2+]C[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001332755612 1149888680 /nfs/dbraw/zinc/88/86/80/1149888680.db2.gz HJWHJENXPLPTTO-MRXNPFEDSA-N 0 3 320.433 2.329 20 30 DEEDHN CCc1nocc1CNC1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001333060984 1149976960 /nfs/dbraw/zinc/97/69/60/1149976960.db2.gz HUOOJNWAWPCGTA-UHFFFAOYSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106567707 782787724 /nfs/dbraw/zinc/78/77/24/782787724.db2.gz QDIGNLBDIDEKKW-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)NC(C)=O ZINC001099245078 782868814 /nfs/dbraw/zinc/86/88/14/782868814.db2.gz GWCTWOBSEONMKB-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN CCN(CCNc1cccc(F)c1C#N)C(=O)[C@H]1CCCN1C ZINC001106707028 782875035 /nfs/dbraw/zinc/87/50/35/782875035.db2.gz WDZFYDQVHHZDJI-MRXNPFEDSA-N 0 3 318.396 2.052 20 30 DEEDHN CCN(CCNc1cccc(F)c1C#N)C(=O)[C@@H]1CCCN1C ZINC001106707027 782875148 /nfs/dbraw/zinc/87/51/48/782875148.db2.gz WDZFYDQVHHZDJI-INIZCTEOSA-N 0 3 318.396 2.052 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCOc2ccccc21 ZINC001168504054 782948650 /nfs/dbraw/zinc/94/86/50/782948650.db2.gz PXJLCPDWPWLVDM-CQSZACIVSA-N 0 3 308.809 2.401 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](CC)OCC)C[C@@H](C)O2 ZINC001111536398 782964946 /nfs/dbraw/zinc/96/49/46/782964946.db2.gz BWKIUQCROLXMIO-HZPDHXFCSA-N 0 3 324.465 2.069 20 30 DEEDHN CN1CCNC[C@H]1c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212224715 783047013 /nfs/dbraw/zinc/04/70/13/783047013.db2.gz VWWQEJJURKTMNA-INIZCTEOSA-N 0 3 319.368 2.338 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2CC(OCC)C2)CC(C)(C)C1 ZINC001089369867 783053062 /nfs/dbraw/zinc/05/30/62/783053062.db2.gz IVBVTIWMQATBBC-PCKAHOCUSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccn(C(F)F)n2)CC(C)(C)C1 ZINC001089396895 783066582 /nfs/dbraw/zinc/06/65/82/783066582.db2.gz JNIDDYJPOIWYJO-LBPRGKRZSA-N 0 3 324.375 2.132 20 30 DEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OCC)no1)C2 ZINC001095772903 783088607 /nfs/dbraw/zinc/08/86/07/783088607.db2.gz KNTSFPWKLNZFJX-RDBSUJKOSA-N 0 3 319.405 2.375 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3n2)CC(C)(C)C1 ZINC001089441425 783109697 /nfs/dbraw/zinc/10/96/97/783109697.db2.gz GTTZZPINBRVRJK-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C2CCC2)C[C@@H]1C ZINC000947463258 783142081 /nfs/dbraw/zinc/14/20/81/783142081.db2.gz DPKBMGCACIGEKH-DZGCQCFKSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nnc2CC)C[C@@H]1C ZINC000947464234 783142584 /nfs/dbraw/zinc/14/25/84/783142584.db2.gz TWDVPBYAWVUWJN-KBPBESRZSA-N 0 3 302.422 2.116 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C[C@@H]1C ZINC000947502356 783154256 /nfs/dbraw/zinc/15/42/56/783154256.db2.gz NLASCODOEIIUCS-VHSXEESVSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CC3)CCOCC2)C[C@@H]1C ZINC000947573128 783177672 /nfs/dbraw/zinc/17/76/72/783177672.db2.gz YWDJXDQXKYQHDA-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(C3CC3)CCOCC2)C[C@@H]1C ZINC000947573130 783177736 /nfs/dbraw/zinc/17/77/36/783177736.db2.gz YWDJXDQXKYQHDA-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(CC)nnc2C)C[C@H]1C ZINC000947569371 783178095 /nfs/dbraw/zinc/17/80/95/783178095.db2.gz WZDKKHXVJGREQE-IUODEOHRSA-N 0 3 302.422 2.116 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc3ccncc32)C[C@H]1C ZINC000947575441 783179452 /nfs/dbraw/zinc/17/94/52/783179452.db2.gz ASFRIYXWWGYFCC-ZIAGYGMSSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnn(C(F)F)c2)CC(C)(C)C1 ZINC001089528404 783185381 /nfs/dbraw/zinc/18/53/81/783185381.db2.gz JOPBLFRLOBZMNI-CYBMUJFWSA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)c2cccnc2)CC(C)(C)C1 ZINC001089540616 783191331 /nfs/dbraw/zinc/19/13/31/783191331.db2.gz FSJAMMIWFUWZQT-WBVHZDCISA-N 0 3 313.445 2.425 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C[C@H]1C ZINC000947663848 783201124 /nfs/dbraw/zinc/20/11/24/783201124.db2.gz ZPHKDZULYHVQHA-CJNGLKHVSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)CC(C)(C)C1 ZINC001089552937 783202665 /nfs/dbraw/zinc/20/26/65/783202665.db2.gz GPGSJLJHORIIRV-MRXNPFEDSA-N 0 3 315.461 2.496 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2C)C[C@H]1C ZINC000947670467 783202919 /nfs/dbraw/zinc/20/29/19/783202919.db2.gz FSSAKSDAZLDQHJ-HUUCEWRRSA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc(OCC)c2)C[C@H]1C ZINC000947709503 783210137 /nfs/dbraw/zinc/21/01/37/783210137.db2.gz DBFMCUBWMCSGBI-UKRRQHHQSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2F)[C@H](O)C1 ZINC001090583282 790368218 /nfs/dbraw/zinc/36/82/18/790368218.db2.gz MXICFLBNWAEUQT-ZIAGYGMSSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3oc(C(C)C)nc3C)C2)C1 ZINC001073044674 790414111 /nfs/dbraw/zinc/41/41/11/790414111.db2.gz ZGNALAFJJMISCX-UHFFFAOYSA-N 0 3 303.406 2.440 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCOc4ccccc43)C2)C1 ZINC001073059712 790423594 /nfs/dbraw/zinc/42/35/94/790423594.db2.gz RIJJVQTUIVENOS-INIZCTEOSA-N 0 3 312.413 2.273 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)c3ccccc3F)C2)C1 ZINC001073066270 790428495 /nfs/dbraw/zinc/42/84/95/790428495.db2.gz WFDJEYPUDUOJNA-HNNXBMFYSA-N 0 3 314.404 2.487 20 30 DEEDHN C#CCCCN1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001209266893 776684314 /nfs/dbraw/zinc/68/43/14/776684314.db2.gz FSNQGMVMDSVWPU-GUDVDZBRSA-N 0 3 314.429 2.491 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc4c(s3)CCOC4)C2)C1 ZINC001073135604 790480040 /nfs/dbraw/zinc/48/00/40/790480040.db2.gz KIPJSVOJMXYEJX-UHFFFAOYSA-N 0 3 318.442 2.155 20 30 DEEDHN CN1CCOc2c1cnnc2N[C@@H]1CCc2c1cccc2C#N ZINC001171060125 790519233 /nfs/dbraw/zinc/51/92/33/790519233.db2.gz CCICYQAHSQKMNS-CQSZACIVSA-N 0 3 307.357 2.276 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(Cc2ccccc2F)CC1 ZINC001114949105 777404460 /nfs/dbraw/zinc/40/44/60/777404460.db2.gz JFHFLXDGADDDEB-QLPKVWCKSA-N 0 3 314.404 2.381 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(F)(F)F)C[C@@H](C)O2 ZINC001098574962 777474086 /nfs/dbraw/zinc/47/40/86/777474086.db2.gz YBPMGOFAIWWWSY-GFCCVEGCSA-N 0 3 320.355 2.207 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)c(F)c2)oc1C ZINC001125700922 777558358 /nfs/dbraw/zinc/55/83/58/777558358.db2.gz DTUBMJFAYDNUNY-UHFFFAOYSA-N 0 3 315.348 2.427 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccncc1 ZINC001087265889 777662047 /nfs/dbraw/zinc/66/20/47/777662047.db2.gz CBZKINUJBHYCBY-IXDOHACOSA-N 0 3 311.429 2.324 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)no3)C(C)(C)[C@H]21 ZINC001087270911 777677167 /nfs/dbraw/zinc/67/71/67/777677167.db2.gz INPKUMWZHOBTGF-BMFZPTHFSA-N 0 3 315.417 2.225 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3snnc3C)C(C)(C)[C@@H]21 ZINC001087272245 777682202 /nfs/dbraw/zinc/68/22/02/777682202.db2.gz DQSVXXLCEFKJGE-MRVWCRGKSA-N 0 3 320.462 2.251 20 30 DEEDHN C=CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1snnc1C ZINC001087272244 777682258 /nfs/dbraw/zinc/68/22/58/777682258.db2.gz DQSVXXLCEFKJGE-KWCYVHTRSA-N 0 3 320.462 2.251 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cncs1 ZINC001087277290 777697184 /nfs/dbraw/zinc/69/71/84/777697184.db2.gz MKYFDLMNGZCXFU-VHDGCEQUSA-N 0 3 317.458 2.385 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc[nH]c3CC)C(C)(C)[C@@H]21 ZINC001087284671 777726266 /nfs/dbraw/zinc/72/62/66/777726266.db2.gz MBBBHPIXRFQMDG-DJIMGWMZSA-N 0 3 313.445 2.429 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cnoc1CC ZINC001087306398 777760369 /nfs/dbraw/zinc/76/03/69/777760369.db2.gz IMMANRXNOTUKKD-UHOFOFEASA-N 0 3 315.417 2.089 20 30 DEEDHN CCN(CC)CC(=O)N(C)[C@H](C)CNc1cccc(F)c1C#N ZINC001104573438 777919336 /nfs/dbraw/zinc/91/93/36/777919336.db2.gz BPZRTFSGCGIVNV-CYBMUJFWSA-N 0 3 320.412 2.298 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](O)C1 ZINC001090828554 790578659 /nfs/dbraw/zinc/57/86/59/790578659.db2.gz RDNGKKIXBZSIDX-QZTJIDSGSA-N 0 3 314.429 2.305 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2conc2C)C[C@H]1C ZINC001104620234 777969383 /nfs/dbraw/zinc/96/93/83/777969383.db2.gz BJVPLTWDWPTRIU-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)s2)[C@H](O)C1 ZINC001090838954 790587598 /nfs/dbraw/zinc/58/75/98/790587598.db2.gz HCHUMUUWIILXRW-UONOGXRCSA-N 0 3 320.458 2.060 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1C ZINC001105031489 778304969 /nfs/dbraw/zinc/30/49/69/778304969.db2.gz VMXOKDALYUZSTE-GZBFAFLISA-N 0 3 316.873 2.486 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C(F)(F)F ZINC001112079913 778337375 /nfs/dbraw/zinc/33/73/75/778337375.db2.gz ZLTUNNANZNHAAM-GHMZBOCLSA-N 0 3 324.293 2.034 20 30 DEEDHN C=C(C)CCC(=O)N1CC(n2cc(CNC[C@H](C)CC)nn2)C1 ZINC001105252460 778401147 /nfs/dbraw/zinc/40/11/47/778401147.db2.gz RSQWLEZVMLGBTI-CQSZACIVSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cocc1C)C[C@H](C)O2 ZINC001098623664 778482961 /nfs/dbraw/zinc/48/29/61/778482961.db2.gz NLLPVLVWJOWSFE-HNNXBMFYSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](F)C(C)C)C[C@@H](C)O2 ZINC001098627348 778569023 /nfs/dbraw/zinc/56/90/23/778569023.db2.gz PDPQSAAMJQLPFM-CABCVRRESA-N 0 3 312.429 2.248 20 30 DEEDHN CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001087424885 778598979 /nfs/dbraw/zinc/59/89/79/778598979.db2.gz UODFHXKDPRRQEF-SJLPKXTDSA-N 0 3 322.412 2.494 20 30 DEEDHN Cc1nc(N[C@H]2CC[C@H](C#N)CC2)cc(N2CCOCC2)n1 ZINC001167841094 778701091 /nfs/dbraw/zinc/70/10/91/778701091.db2.gz OCOVRJDTQSCVHC-HDJSIYSDSA-N 0 3 301.394 2.116 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3c(C)cncc3C)C[C@]2(C)C1 ZINC000982366665 778776558 /nfs/dbraw/zinc/77/65/58/778776558.db2.gz RMBKTJDVWVVTBA-KDURUIRLSA-N 0 3 311.429 2.116 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)CC(F)(F)F)[C@H](OC)C1 ZINC001213204301 778855508 /nfs/dbraw/zinc/85/55/08/778855508.db2.gz BNPNMJLICCMZEC-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]2C1 ZINC001075808835 779313906 /nfs/dbraw/zinc/31/39/06/779313906.db2.gz FIRYLBHSWAEIPT-WNRNVDISSA-N 0 3 311.429 2.294 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@H]1CC ZINC001087594537 779370307 /nfs/dbraw/zinc/37/03/07/779370307.db2.gz JLLAMKPGIZZLPU-GOEBONIOSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc(OC)c2)[C@H]1CC ZINC001087635861 779388593 /nfs/dbraw/zinc/38/85/93/779388593.db2.gz RLLWQHOFUWFMSG-LSDHHAIUSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1CC ZINC001087678669 779405415 /nfs/dbraw/zinc/40/54/15/779405415.db2.gz ZMSBHFFORXQMPT-UONOGXRCSA-N 0 3 303.406 2.173 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(OC)ccn2)[C@H]1CC ZINC001087682493 779407548 /nfs/dbraw/zinc/40/75/48/779407548.db2.gz AKBZCHAZXIUJKK-GOEBONIOSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H]1CC ZINC001087683597 779408903 /nfs/dbraw/zinc/40/89/03/779408903.db2.gz LBTNEFISLILSDU-UONOGXRCSA-N 0 3 306.431 2.363 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)[C@H]1CC ZINC001087801066 779457570 /nfs/dbraw/zinc/45/75/70/779457570.db2.gz VYGYXKJNKIIYFX-DLBZAZTESA-N 0 3 318.465 2.217 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2OC)[C@H]1CC ZINC001087820558 779467395 /nfs/dbraw/zinc/46/73/95/779467395.db2.gz KJNVGEGDPQORPH-DLBZAZTESA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@H]1CC ZINC001087835805 779475772 /nfs/dbraw/zinc/47/57/72/779475772.db2.gz ROJKCVWSJJRQBU-LSDHHAIUSA-N 0 3 315.417 2.010 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@H]1CC ZINC001087845792 779481921 /nfs/dbraw/zinc/48/19/21/779481921.db2.gz ROXXRAHCMACBFG-OWCLPIDISA-N 0 3 304.438 2.216 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001087909333 779535163 /nfs/dbraw/zinc/53/51/63/779535163.db2.gz IOZRLZVFBWXZAJ-IMJJTQAJSA-N 0 3 315.392 2.266 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3F)C[C@@H]2C1 ZINC001088143985 779726140 /nfs/dbraw/zinc/72/61/40/779726140.db2.gz NZQIOCKWUDOFAI-XHSDSOJGSA-N 0 3 314.404 2.343 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(CC)o3)C[C@@H]2C1 ZINC001088168581 779740327 /nfs/dbraw/zinc/74/03/27/779740327.db2.gz JTZPFGFFJFQTSS-CABCVRRESA-N 0 3 300.402 2.178 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC001088231593 779787856 /nfs/dbraw/zinc/78/78/56/779787856.db2.gz VOWIGMUASFAKNX-SFHVURJKSA-N 0 3 318.461 2.468 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2nn(C)cc2C)C1 ZINC001088314308 779938187 /nfs/dbraw/zinc/93/81/87/779938187.db2.gz VBCSTHYJNUKUDP-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001088395653 780067796 /nfs/dbraw/zinc/06/77/96/780067796.db2.gz MMDPCRUQLBDVTI-HNNXBMFYSA-N 0 3 324.856 2.456 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2[nH]cnc2C)C1 ZINC001088435291 780123626 /nfs/dbraw/zinc/12/36/26/780123626.db2.gz XEIMMOWCQDOTEF-CYBMUJFWSA-N 0 3 310.829 2.445 20 30 DEEDHN CCOC(=O)N1CCC(N(C)Cc2ccc(C#N)cn2)CC1 ZINC001144163536 790777145 /nfs/dbraw/zinc/77/71/45/790777145.db2.gz JFJXDTCXVHWPCJ-UHFFFAOYSA-N 0 3 302.378 2.006 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cc2ccc(F)cn2)CC1 ZINC001160514986 790791142 /nfs/dbraw/zinc/79/11/42/790791142.db2.gz IVHDBZAWKMUTCE-UHFFFAOYSA-N 0 3 303.381 2.088 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(F)c(C)cc3F)[C@@H]2C1 ZINC001075909414 780548209 /nfs/dbraw/zinc/54/82/09/780548209.db2.gz ZOEMAKVNDUBFHI-SUMWQHHRSA-N 0 3 318.367 2.443 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](OC)C1 ZINC001212033639 780592617 /nfs/dbraw/zinc/59/26/17/780592617.db2.gz KWTIQZLUPZJIQR-HZPDHXFCSA-N 0 3 322.453 2.118 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001091027221 790838968 /nfs/dbraw/zinc/83/89/68/790838968.db2.gz AHIXZYHOUBEDCM-WXRRBKDZSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C3CC3)CCOCC2)[C@H]1C ZINC001088771482 780970521 /nfs/dbraw/zinc/97/05/21/780970521.db2.gz ISWICEBJWJLGFV-ZBFHGGJFSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@H]1C ZINC001088777424 780974748 /nfs/dbraw/zinc/97/47/48/780974748.db2.gz XMTKKAYQYUBISN-QAPCUYQASA-N 0 3 322.412 2.088 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2occc2CC)C1 ZINC001073752950 790844436 /nfs/dbraw/zinc/84/44/36/790844436.db2.gz KCPUDCPCIUYMDG-HNNXBMFYSA-N 0 3 306.406 2.239 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)ccc(F)c2F)[C@H]1C ZINC001088828006 781068996 /nfs/dbraw/zinc/06/89/96/781068996.db2.gz UPFMYLKTOCVVIE-MFKMUULPSA-N 0 3 310.319 2.320 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(C(C)(C)C)on3)[C@@H]2C1 ZINC001076030148 781084162 /nfs/dbraw/zinc/08/41/62/781084162.db2.gz UVUSITWSYJRGDA-DZGCQCFKSA-N 0 3 315.417 2.142 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc(F)c3F)[C@@H]2C1 ZINC001076189443 781162598 /nfs/dbraw/zinc/16/25/98/781162598.db2.gz JERRCWKYOXKHJK-SWLSCSKDSA-N 0 3 304.340 2.134 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3csc(C4CC4)n3)[C@@H]2C1 ZINC001076330883 781221849 /nfs/dbraw/zinc/22/18/49/781221849.db2.gz PALNDCFZVYFUKQ-DZGCQCFKSA-N 0 3 317.458 2.282 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCC4(CCC4)CO3)[C@@H]2C1 ZINC001076488982 781284131 /nfs/dbraw/zinc/28/41/31/781284131.db2.gz VNWHYHGALGJXQU-YESZJQIVSA-N 0 3 318.461 2.445 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3nccnc32)C[C@H]1C ZINC000947857567 783249982 /nfs/dbraw/zinc/24/99/82/783249982.db2.gz NSVSIMRJPNYUCT-CABCVRRESA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncc3n2CCCC3)CC1 ZINC001006427406 783251079 /nfs/dbraw/zinc/25/10/79/783251079.db2.gz DSYQZCKDTTYCEQ-UHFFFAOYSA-N 0 3 316.449 2.332 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnoc2C(C)C)C[C@H]1C ZINC000947886871 783257522 /nfs/dbraw/zinc/25/75/22/783257522.db2.gz OLWZZVJMKFHJQF-ZIAGYGMSSA-N 0 3 303.406 2.404 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cnccn1 ZINC001089603209 783263739 /nfs/dbraw/zinc/26/37/39/783263739.db2.gz MBDNVXVOFXHHBZ-AWEZNQCLSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2OC)C[C@@H]1C ZINC000947963797 783279443 /nfs/dbraw/zinc/27/94/43/783279443.db2.gz YUDYKXOTMUDIJN-LSDHHAIUSA-N 0 3 300.402 2.301 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CC#CC)[C@@H](C)C1 ZINC000947974866 783282755 /nfs/dbraw/zinc/28/27/55/783282755.db2.gz HNUUENBGOMVUEI-QFBILLFUSA-N 0 3 308.425 2.203 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000948073929 783310268 /nfs/dbraw/zinc/31/02/68/783310268.db2.gz OWEZYIHTTOBWAH-ZFWWWQNUSA-N 0 3 317.408 2.108 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(COC)s2)C[C@@H]1C ZINC000948086280 783316864 /nfs/dbraw/zinc/31/68/64/783316864.db2.gz OVZIVQXTWWBZNK-RYUDHWBXSA-N 0 3 309.435 2.058 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3n(c2)CCCC3)C[C@H]1C ZINC000948105314 783323806 /nfs/dbraw/zinc/32/38/06/783323806.db2.gz URTNMRJXSHVNBM-NVXWUHKLSA-N 0 3 313.445 2.430 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1oncc1C ZINC001089718665 783380919 /nfs/dbraw/zinc/38/09/19/783380919.db2.gz SMAQALWZVSUNFI-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001089731940 783396491 /nfs/dbraw/zinc/39/64/91/783396491.db2.gz ILVBVVHTEDGCQQ-AWEZNQCLSA-N 0 3 304.438 2.217 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1ccc(F)cc1 ZINC001127604364 783402963 /nfs/dbraw/zinc/40/29/63/783402963.db2.gz DMXJWZMMDLVVKJ-CVEARBPZSA-N 0 3 306.381 2.013 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001073880726 790939640 /nfs/dbraw/zinc/93/96/40/790939640.db2.gz RIJSCPFDCRWZKU-INIZCTEOSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc3ncn(C)c32)CC1 ZINC000948561063 783501874 /nfs/dbraw/zinc/50/18/74/783501874.db2.gz ISLBUBFBIFZGPF-HNNXBMFYSA-N 0 3 324.428 2.133 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2c(C)nsc2C)C1 ZINC001073904412 790947492 /nfs/dbraw/zinc/94/74/92/790947492.db2.gz DHQAQEVLJYEZPH-AWEZNQCLSA-N 0 3 323.462 2.157 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cn(C(C)C)cn2)CC1 ZINC000948652339 783549733 /nfs/dbraw/zinc/54/97/33/783549733.db2.gz QDYHDBOXCSMAQW-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001066245369 783657326 /nfs/dbraw/zinc/65/73/26/783657326.db2.gz HKEZPHLTJISOFD-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC000966908030 783812979 /nfs/dbraw/zinc/81/29/79/783812979.db2.gz JLRPMNDYTKQWAO-RISCZKNCSA-N 0 3 324.375 2.431 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccoc3)C2)cc1F ZINC000967012478 783856856 /nfs/dbraw/zinc/85/68/56/783856856.db2.gz RMWQEPLPGNVVIB-OAHLLOKOSA-N 0 3 313.332 2.295 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000967055778 783870902 /nfs/dbraw/zinc/87/09/02/783870902.db2.gz CXWZGGTVGCFZMX-DYVFJYSZSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cccnc2n1 ZINC001085607321 783877119 /nfs/dbraw/zinc/87/71/19/783877119.db2.gz MOYTXGQGMGHUTI-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2COC)C1 ZINC000967211776 783907764 /nfs/dbraw/zinc/90/77/64/783907764.db2.gz YHPNTIJKQJPMQO-YJBOKZPZSA-N 0 3 314.429 2.297 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001085707088 783992104 /nfs/dbraw/zinc/99/21/04/783992104.db2.gz CKZWHGATYBSRJD-SJLPKXTDSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085742002 784027640 /nfs/dbraw/zinc/02/76/40/784027640.db2.gz FZOUHSQUKSFFIE-MRXNPFEDSA-N 0 3 316.449 2.460 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001091185565 790991553 /nfs/dbraw/zinc/99/15/53/790991553.db2.gz DMBXZSZUOSEAHS-WIRQWFGLSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnc2ccncc21 ZINC001085744567 784037091 /nfs/dbraw/zinc/03/70/91/784037091.db2.gz NGBAYDMPJAFPAW-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1occc1CN(C)C ZINC001085787945 784081826 /nfs/dbraw/zinc/08/18/26/784081826.db2.gz AHEKMTDPLCFRST-MRXNPFEDSA-N 0 3 319.449 2.454 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001085831428 784116133 /nfs/dbraw/zinc/11/61/33/784116133.db2.gz BNPNFWUNRLABQK-IXDOHACOSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001085873132 784162644 /nfs/dbraw/zinc/16/26/44/784162644.db2.gz QIXJNWOPOASRDN-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nc1C ZINC001085893817 784184502 /nfs/dbraw/zinc/18/45/02/784184502.db2.gz LEFPUGKMQMLIAM-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN CCSCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155081486 784220870 /nfs/dbraw/zinc/22/08/70/784220870.db2.gz KKOVDDQJUMMWRT-UHFFFAOYSA-N 0 3 323.437 2.436 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001074000082 791008069 /nfs/dbraw/zinc/00/80/69/791008069.db2.gz VAXRIQFVCRMRJA-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001085942054 784236768 /nfs/dbraw/zinc/23/67/68/784236768.db2.gz XDMFRMOURBZUQJ-KRWDZBQOSA-N 0 3 315.417 2.367 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001085981587 784282129 /nfs/dbraw/zinc/28/21/29/784282129.db2.gz PKVCLFTXOORLPP-GDBMZVCRSA-N 0 3 318.392 2.238 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccccc2C)[C@H](O)C1 ZINC001100018404 784295355 /nfs/dbraw/zinc/29/53/55/784295355.db2.gz RSKIFPOEXRVZDT-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)s1 ZINC000968343351 784304417 /nfs/dbraw/zinc/30/44/17/784304417.db2.gz BLMQVGLMLOVPMY-FWYOQMDTSA-N 0 3 315.442 2.356 20 30 DEEDHN CCCSCC(=O)NCCCNCc1ccccc1C#N ZINC001155158370 784319851 /nfs/dbraw/zinc/31/98/51/784319851.db2.gz YABHUKKBAHAZGR-UHFFFAOYSA-N 0 3 305.447 2.297 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC000968382475 784345087 /nfs/dbraw/zinc/34/50/87/784345087.db2.gz QIWRIUFNIHYXFW-ZBFHGGJFSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3nccnc32)C1 ZINC000968471777 784405482 /nfs/dbraw/zinc/40/54/82/784405482.db2.gz KUWRQYMMHYIIRJ-PBHICJAKSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC000968472669 784406616 /nfs/dbraw/zinc/40/66/16/784406616.db2.gz WDUDXYDJOCOWHC-PBHICJAKSA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(OCC)nc2)C1 ZINC001086101179 784407966 /nfs/dbraw/zinc/40/79/66/784407966.db2.gz CTXSMKKFUWPARW-XBXGTLAGSA-N 0 3 323.824 2.331 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968509158 784435775 /nfs/dbraw/zinc/43/57/75/784435775.db2.gz FWZJQKUTMHIVKP-SUMWQHHRSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(CC)CC[C@@H]1C ZINC000968520905 784444175 /nfs/dbraw/zinc/44/41/75/784444175.db2.gz OKEDZVUIZMGNJK-UONOGXRCSA-N 0 3 303.406 2.107 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NCc3cnoc3C)C2)cc1 ZINC001086164895 784457564 /nfs/dbraw/zinc/45/75/64/784457564.db2.gz LEMXTDCWTMYXSU-RHNCMZPLSA-N 0 3 323.396 2.263 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC000968619585 784505626 /nfs/dbraw/zinc/50/56/26/784505626.db2.gz NVHYUMRZNJBYJQ-SWLSCSKDSA-N 0 3 307.463 2.397 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001086253458 784524380 /nfs/dbraw/zinc/52/43/80/784524380.db2.gz HTNMAAMTAUOWKV-TXEJJXNPSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000968678512 784536894 /nfs/dbraw/zinc/53/68/94/784536894.db2.gz RHVSEGIUVNEHLE-IUODEOHRSA-N 0 3 317.433 2.420 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC000968713383 784553164 /nfs/dbraw/zinc/55/31/64/784553164.db2.gz OMGCVDOJAWLIDV-PBHICJAKSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC000968826228 784609830 /nfs/dbraw/zinc/60/98/30/784609830.db2.gz WTVXCQMCUDEHMD-MRXNPFEDSA-N 0 3 302.422 2.336 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001086384285 784639334 /nfs/dbraw/zinc/63/93/34/784639334.db2.gz NQVNIHYHMJLFPS-KBUPBQIOSA-N 0 3 314.857 2.284 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC000968914393 784647387 /nfs/dbraw/zinc/64/73/87/784647387.db2.gz SWAGKMTYBHRMQC-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC000968971511 784674156 /nfs/dbraw/zinc/67/41/56/784674156.db2.gz NFMAYTKNAGBFHO-OAHLLOKOSA-N 0 3 304.438 2.197 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC000968976426 784677042 /nfs/dbraw/zinc/67/70/42/784677042.db2.gz CJHZRTVOKYOITF-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccsn3)C2)s1 ZINC000969041249 784700697 /nfs/dbraw/zinc/70/06/97/784700697.db2.gz HVSYJWNLSMAQOU-SNVBAGLBSA-N 0 3 318.427 2.081 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001086425713 784715881 /nfs/dbraw/zinc/71/58/81/784715881.db2.gz LWNSXSRKHXPPFJ-KQTLUZQSSA-N 0 3 312.841 2.183 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H](O)C1 ZINC001090411482 784741288 /nfs/dbraw/zinc/74/12/88/784741288.db2.gz QVLYIULXLPHDJM-LSDHHAIUSA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC001086466333 784757445 /nfs/dbraw/zinc/75/74/45/784757445.db2.gz XNJNAMYTXPCSDU-UMSPYCQHSA-N 0 3 320.780 2.073 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001086475256 784766820 /nfs/dbraw/zinc/76/68/20/784766820.db2.gz QBSGHNJUADOCGR-KYZUINATSA-N 0 3 318.755 2.198 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(OC)c1F ZINC001155979769 784800154 /nfs/dbraw/zinc/80/01/54/784800154.db2.gz IUMQCZSKQQMUJZ-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)c1 ZINC001007031209 784835034 /nfs/dbraw/zinc/83/50/34/784835034.db2.gz VAKUKFGKFQALSV-QGZVFWFLSA-N 0 3 322.412 2.323 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC001007439646 784920289 /nfs/dbraw/zinc/92/02/89/784920289.db2.gz CXHXFOQYIQQVRA-OAHLLOKOSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001007501295 784936834 /nfs/dbraw/zinc/93/68/34/784936834.db2.gz XJFMUQFROVQAHN-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001007634661 784965761 /nfs/dbraw/zinc/96/57/61/784965761.db2.gz HPHCMMKDHCSQAP-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001007651731 784969882 /nfs/dbraw/zinc/96/98/82/784969882.db2.gz UBXOALZYRHNYTR-OWCLPIDISA-N 0 3 302.443 2.456 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OCC=C)cc2)C1 ZINC001007670637 784973244 /nfs/dbraw/zinc/97/32/44/784973244.db2.gz ULOAFGNPWZYJLP-KRWDZBQOSA-N 0 3 312.413 2.469 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001007697730 784978694 /nfs/dbraw/zinc/97/86/94/784978694.db2.gz WWFDGIVHIVVUHE-CQSZACIVSA-N 0 3 302.422 2.118 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001007731098 784985549 /nfs/dbraw/zinc/98/55/49/784985549.db2.gz KCWHSWHOJJNOCA-HNNXBMFYSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001007948088 785055802 /nfs/dbraw/zinc/05/58/02/785055802.db2.gz AKALPFOIGDNGDF-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001007962012 785060517 /nfs/dbraw/zinc/06/05/17/785060517.db2.gz OXOOZMOZSCVAED-OAHLLOKOSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001007974819 785064890 /nfs/dbraw/zinc/06/48/90/785064890.db2.gz YLVXCYPEGWLREG-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN COc1cc(CCC#N)c(-n2ccc([C@H](C)N)n2)cc1OC ZINC001169233454 785097602 /nfs/dbraw/zinc/09/76/02/785097602.db2.gz QOECDOYQAACPTG-NSHDSACASA-N 0 3 300.362 2.365 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC001169337970 785149682 /nfs/dbraw/zinc/14/96/82/785149682.db2.gz ZURJGVPECBIUMP-KBPBESRZSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001008293627 785165593 /nfs/dbraw/zinc/16/55/93/785165593.db2.gz PIXAXHFMUMYPSV-ZFWWWQNUSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001074168742 791094289 /nfs/dbraw/zinc/09/42/89/791094289.db2.gz PKMKLLXTZZBYOI-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1cc2cccnc2nc1N1CCCc2ccc(CN)nc21 ZINC001169591547 785251927 /nfs/dbraw/zinc/25/19/27/785251927.db2.gz VZCZXAYEENZMKR-UHFFFAOYSA-N 0 3 316.368 2.439 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001008673181 785269867 /nfs/dbraw/zinc/26/98/67/785269867.db2.gz UAHQYIMDRBUKGY-HNNXBMFYSA-N 0 3 300.402 2.221 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCN[C@@H](C)c1nnc(C)[nH]1 ZINC001169706588 785317910 /nfs/dbraw/zinc/31/79/10/785317910.db2.gz TVQRHTNFJFTQEP-OLZOCXBDSA-N 0 3 307.442 2.405 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001008999843 785358793 /nfs/dbraw/zinc/35/87/93/785358793.db2.gz AKLPHYMXWFDQJP-MRXNPFEDSA-N 0 3 304.438 2.309 20 30 DEEDHN COc1nscc1CNCCCC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001169821704 785379409 /nfs/dbraw/zinc/37/94/09/785379409.db2.gz MUFSAPYAJPRLRB-NWDGAFQWSA-N 0 3 324.450 2.076 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cncnc2C2CC2)C1 ZINC001009386376 785444472 /nfs/dbraw/zinc/44/44/72/785444472.db2.gz MHDABVPNMLFIOQ-CQSZACIVSA-N 0 3 300.406 2.124 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001009438329 785452808 /nfs/dbraw/zinc/45/28/08/785452808.db2.gz WNOJFJCHRCNXRT-HNNXBMFYSA-N 0 3 304.821 2.486 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001009475966 785460496 /nfs/dbraw/zinc/46/04/96/785460496.db2.gz LAPGVANNBDPQSK-QGZVFWFLSA-N 0 3 300.402 2.051 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCC(F)F)C[C@@H](C)O2 ZINC001111547275 785483810 /nfs/dbraw/zinc/48/38/10/785483810.db2.gz NCCMQTQHTBYJAY-CYBMUJFWSA-N 0 3 316.392 2.300 20 30 DEEDHN Cc1ncc(CN[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C#CC(C)C)C3)o1 ZINC001108683426 785493380 /nfs/dbraw/zinc/49/33/80/785493380.db2.gz GKVVNBOAQNDNKK-XHSDSOJGSA-N 0 3 315.417 2.112 20 30 DEEDHN Cc1ccccc1CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010643681 785883081 /nfs/dbraw/zinc/88/30/81/785883081.db2.gz MNZQLAGQAIDNND-INIZCTEOSA-N 0 3 308.385 2.199 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(F)F)C2 ZINC001109460668 785886643 /nfs/dbraw/zinc/88/66/43/785886643.db2.gz UCIRONVDEBDOES-RDBSUJKOSA-N 0 3 316.392 2.346 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C)cs1)C2 ZINC001109528768 785915580 /nfs/dbraw/zinc/91/55/80/785915580.db2.gz JHEBBBDUBUQQRX-ILXRZTDVSA-N 0 3 317.458 2.129 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(-n2ccnc2)c1 ZINC001170022776 786070671 /nfs/dbraw/zinc/07/06/71/786070671.db2.gz HCMRKNRPEOZODM-UHFFFAOYSA-N 0 3 318.808 2.334 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001112862519 786259431 /nfs/dbraw/zinc/25/94/31/786259431.db2.gz OJLUYTUCVDDWSY-LSDHHAIUSA-N 0 3 304.438 2.023 20 30 DEEDHN CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001086581738 786424357 /nfs/dbraw/zinc/42/43/57/786424357.db2.gz LHZQNXWAOCPQCI-DOTOQJQBSA-N 0 3 308.385 2.104 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC001113172707 786430676 /nfs/dbraw/zinc/43/06/76/786430676.db2.gz RHRORQPSDHMYDW-INIZCTEOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113410107 786580409 /nfs/dbraw/zinc/58/04/09/786580409.db2.gz NMQRIROMLPPKLQ-QGZVFWFLSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001014684455 786703701 /nfs/dbraw/zinc/70/37/01/786703701.db2.gz YMHKFYAHTQDDKY-NSHDSACASA-N 0 3 308.813 2.321 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001014878464 786788612 /nfs/dbraw/zinc/78/86/12/786788612.db2.gz RBPVYYYRBHPEEW-MRXNPFEDSA-N 0 3 307.397 2.371 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCCCN[C@H](C)c1nnc(C)[nH]1 ZINC001170425370 787023113 /nfs/dbraw/zinc/02/31/13/787023113.db2.gz MGKOFWNVNGITTP-ZIAGYGMSSA-N 0 3 319.453 2.242 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001113998792 787038447 /nfs/dbraw/zinc/03/84/47/787038447.db2.gz DHRNBSZQZHNCIH-ARLBYUKCSA-N 0 3 320.458 2.276 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(OC)c3)C[C@H]21 ZINC001114006388 787045717 /nfs/dbraw/zinc/04/57/17/787045717.db2.gz ZNPFDGSHHUTYCV-VQFNDLOPSA-N 0 3 300.402 2.208 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCOc3ccc(C)cc3)C[C@H]21 ZINC001114027534 787061097 /nfs/dbraw/zinc/06/10/97/787061097.db2.gz JKBKBQIMAULUBG-DZFIZOCASA-N 0 3 314.429 2.386 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001015679916 787183164 /nfs/dbraw/zinc/18/31/64/787183164.db2.gz QCSNNQUKVWWICY-MGPQQGTHSA-N 0 3 318.367 2.282 20 30 DEEDHN Cc1cc(F)ccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114253766 787185703 /nfs/dbraw/zinc/18/57/03/787185703.db2.gz UTJBECAKGFOFOP-DZFIZOCASA-N 0 3 312.388 2.094 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001170454229 787227157 /nfs/dbraw/zinc/22/71/57/787227157.db2.gz WOYARTSZTASAEA-SUMWQHHRSA-N 0 3 323.437 2.075 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)c(F)c2)[nH]1 ZINC001130310845 787342633 /nfs/dbraw/zinc/34/26/33/787342633.db2.gz DPCZWROYYNYKMM-UHFFFAOYSA-N 0 3 314.364 2.162 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)CCC)C1 ZINC001130365718 787368036 /nfs/dbraw/zinc/36/80/36/787368036.db2.gz ZUOHBBKKIDIMRP-KGLIPLIRSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)/C=C(\C)CC)C1 ZINC001130383227 787370576 /nfs/dbraw/zinc/37/05/76/787370576.db2.gz ANOWDQKPMHUUDR-KADHNRKRSA-N 0 3 302.422 2.358 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC001130540159 787419889 /nfs/dbraw/zinc/41/98/89/787419889.db2.gz XZGMEBKMNRQGDH-IIAWOOMASA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130532144 787421910 /nfs/dbraw/zinc/42/19/10/787421910.db2.gz WRYPMLISTRQCOG-YQQAZPJKSA-N 0 3 318.465 2.316 20 30 DEEDHN CCOC(=O)C1=C(Nc2cccc3[nH]c(C#N)cc32)CCNC1 ZINC001170516883 787481892 /nfs/dbraw/zinc/48/18/92/787481892.db2.gz JGSUJKVUAXLYIY-UHFFFAOYSA-N 0 3 310.357 2.262 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001096220431 787580536 /nfs/dbraw/zinc/58/05/36/787580536.db2.gz YJWHDFRLSRRRHK-KCXAZCMYSA-N 0 3 310.401 2.474 20 30 DEEDHN CCc1cncc(C(=O)NCCNCc2ccc(C#N)s2)c1 ZINC001131368425 787605349 /nfs/dbraw/zinc/60/53/49/787605349.db2.gz VGPMNIGCNZWMNK-UHFFFAOYSA-N 0 3 314.414 2.097 20 30 DEEDHN C[C@H](Nc1ccc(C#C[Si](C)(C)C)nc1)[C@H]1CNCCO1 ZINC001170574250 787662689 /nfs/dbraw/zinc/66/26/89/787662689.db2.gz MMTVLPQCPKPHDO-XJKSGUPXSA-N 0 3 303.482 2.099 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cccc(C)n2)CC[C@H]1C ZINC001131817318 787759091 /nfs/dbraw/zinc/75/90/91/787759091.db2.gz LSLAEVDDKOTNFG-CVEARBPZSA-N 0 3 317.433 2.175 20 30 DEEDHN C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1CCCCCF ZINC001131828973 787763120 /nfs/dbraw/zinc/76/31/20/787763120.db2.gz BFRLZUSXDOCKCO-ZIAGYGMSSA-N 0 3 315.458 2.352 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccncc2C)CC[C@@H]1C ZINC001132007281 787888035 /nfs/dbraw/zinc/88/80/35/787888035.db2.gz YKEPHVWJRWIFPA-HOTGVXAUSA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132095563 787925448 /nfs/dbraw/zinc/92/54/48/787925448.db2.gz ZSCBJOQACLHFNP-KBPBESRZSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2ncc(C)o2)CC[C@@H]1C ZINC001132164723 787954637 /nfs/dbraw/zinc/95/46/37/787954637.db2.gz JAYOFNFDFQZMNH-ZFWWWQNUSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001097100384 787979817 /nfs/dbraw/zinc/97/98/17/787979817.db2.gz NNEBBRLYELGLID-ILOCAZANSA-N 0 3 311.429 2.483 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCc2cnn(C)c2)C1 ZINC001132227838 787982825 /nfs/dbraw/zinc/98/28/25/787982825.db2.gz IZFSWRSJHROUPX-ZBFHGGJFSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCc2ccnn2C)C1 ZINC001132227978 787983057 /nfs/dbraw/zinc/98/30/57/787983057.db2.gz KBDLFORMALSCJD-LSDHHAIUSA-N 0 3 318.465 2.144 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3nccn31)C2 ZINC001097219880 788025158 /nfs/dbraw/zinc/02/51/58/788025158.db2.gz OYPTVBPMZIWICW-LVQVYYBASA-N 0 3 314.433 2.058 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccnc(C)c2)CC[C@@H]1C ZINC001132368302 788042499 /nfs/dbraw/zinc/04/24/99/788042499.db2.gz KXTOYHAXLXQOFW-DOTOQJQBSA-N 0 3 317.433 2.175 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@]2(C)C=CCC2)cc1C#N ZINC001132502352 788102039 /nfs/dbraw/zinc/10/20/39/788102039.db2.gz RIVNSSKAOUGRHI-SFHVURJKSA-N 0 3 313.401 2.129 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCn2cccn2)CC[C@@H]1C ZINC001132490727 788102980 /nfs/dbraw/zinc/10/29/80/788102980.db2.gz 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/nfs/dbraw/zinc/16/16/42/788161642.db2.gz HEAJXKFSEPGNLG-HOTGVXAUSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001132698363 788172718 /nfs/dbraw/zinc/17/27/18/788172718.db2.gz XZAFIZIOVBGRGU-HOCLYGCPSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2cc(C)no2)C1 ZINC001132786136 788191570 /nfs/dbraw/zinc/19/15/70/788191570.db2.gz OTVHMOKMNSWBIF-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccc(F)cc31)C2 ZINC001097726675 788201369 /nfs/dbraw/zinc/20/13/69/788201369.db2.gz HZCNSGKQMOAZMV-SPUZQDLCSA-N 0 3 312.388 2.210 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)COC)CC1 ZINC001097788563 788234933 /nfs/dbraw/zinc/23/49/33/788234933.db2.gz JUBALAIEWQTDEH-SVGFKBNWSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2cnns2)C1 ZINC001133073378 788268009 /nfs/dbraw/zinc/26/80/09/788268009.db2.gz UGFWRDSGIKJOPK-UONOGXRCSA-N 0 3 322.478 2.469 20 30 DEEDHN 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C#CCN1C[C@@H](CNC(=O)c2ocnc2-c2ccccc2)[C@H](C)C1 ZINC001092666149 792105804 /nfs/dbraw/zinc/10/58/04/792105804.db2.gz FFEUOAAAIKSFIF-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)no2)C1 ZINC001099134175 792109682 /nfs/dbraw/zinc/10/96/82/792109682.db2.gz YIPGEMMSDXPAPP-NHYWBVRUSA-N 0 3 309.797 2.488 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(COC)CCC1 ZINC001099139785 792111988 /nfs/dbraw/zinc/11/19/88/792111988.db2.gz HPGWHNCBFCRDAO-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001099158275 792120570 /nfs/dbraw/zinc/12/05/70/792120570.db2.gz GJNUMVIVSUWCCV-SJORKVTESA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001099158274 792121075 /nfs/dbraw/zinc/12/10/75/792121075.db2.gz GJNUMVIVSUWCCV-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(CC)s2)C1 ZINC001099181394 792128556 /nfs/dbraw/zinc/12/85/56/792128556.db2.gz 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/nfs/dbraw/zinc/41/39/42/792413942.db2.gz RYBGFBYHJHKQLA-SJORKVTESA-N 0 3 316.445 2.259 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCC2CCCCC2)[C@H](O)C1 ZINC001100096660 792471715 /nfs/dbraw/zinc/47/17/15/792471715.db2.gz KZZFVYIROMSMBN-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC(CC=C)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001149763541 792492575 /nfs/dbraw/zinc/49/25/75/792492575.db2.gz KEIQYPZEVJDDRE-INIZCTEOSA-N 0 3 312.429 2.322 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2cccc(OC)n2)C1 ZINC001100170187 792499057 /nfs/dbraw/zinc/49/90/57/792499057.db2.gz BERKGIMOMLMOID-UHFFFAOYSA-N 0 3 303.406 2.041 20 30 DEEDHN C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001171419823 792504874 /nfs/dbraw/zinc/50/48/74/792504874.db2.gz ODRNFMGKYCSKKD-GFCCVEGCSA-N 0 3 318.421 2.124 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001100191600 792508229 /nfs/dbraw/zinc/50/82/29/792508229.db2.gz QSINWRVJUJXTHK-LMWSTFAQSA-N 0 3 318.421 2.251 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001100373796 792619044 /nfs/dbraw/zinc/61/90/44/792619044.db2.gz KHBHTELHFROYOB-LMWSTFAQSA-N 0 3 305.426 2.015 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2conc2C)C1 ZINC001100590921 792738277 /nfs/dbraw/zinc/73/82/77/792738277.db2.gz JGCMKEUGQWAKAY-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(N[C@H](C)c3cnccn3)C2)C1 ZINC001100661522 792774182 /nfs/dbraw/zinc/77/41/82/792774182.db2.gz YKAKHCMUUOPGNS-WLYUNCDWSA-N 0 3 314.433 2.378 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001101057088 792993661 /nfs/dbraw/zinc/99/36/61/792993661.db2.gz HMHLPASRIADION-HLIUYOAVSA-N 0 3 320.408 2.401 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCCOC(C)C)C1 ZINC001101068257 792999943 /nfs/dbraw/zinc/99/99/43/792999943.db2.gz RCVWCRBWYXDDTJ-UHFFFAOYSA-N 0 3 302.846 2.429 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnc(CC)s3)CCC[C@@H]12 ZINC001094587614 793013225 /nfs/dbraw/zinc/01/32/25/793013225.db2.gz NWBQGUCCTDCAAD-RHSMWYFYSA-N 0 3 317.458 2.313 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C=CCCOCC(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001180254220 795265715 /nfs/dbraw/zinc/26/57/15/795265715.db2.gz YVUVEFKHZVKWRM-WFASDCNBSA-N 0 3 323.462 2.123 20 30 DEEDHN CCN(CC)CC(=O)N1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001180388776 795288075 /nfs/dbraw/zinc/28/80/75/795288075.db2.gz AERPDCYGZVBYGQ-KRWDZBQOSA-N 0 3 315.417 2.270 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cc(C)n(C)n3)C2)C1 ZINC001120787891 795530427 /nfs/dbraw/zinc/53/04/27/795530427.db2.gz WSOFTQQNAZMJGX-UHFFFAOYSA-N 0 3 316.449 2.212 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H](C#N)C1 ZINC001121496893 795640655 /nfs/dbraw/zinc/64/06/55/795640655.db2.gz KVPMMBGCGUDLPS-GJZGRUSLSA-N 0 3 314.437 2.013 20 30 DEEDHN Cc1nc(C)c(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)s1 ZINC001182423106 795668403 /nfs/dbraw/zinc/66/84/03/795668403.db2.gz QMWHSQSFSSMQPM-CQSZACIVSA-N 0 3 319.474 2.500 20 30 DEEDHN N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CCCN1CC1CC1 ZINC001182552848 795699562 /nfs/dbraw/zinc/69/95/62/795699562.db2.gz HHVSEIMBRYRCOU-KRWDZBQOSA-N 0 3 312.417 2.198 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](OCC)C2=CCCC2)C1 ZINC001182598454 795718164 /nfs/dbraw/zinc/71/81/64/795718164.db2.gz GQMGLMYGENNFON-SJORKVTESA-N 0 3 304.434 2.106 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC001122055734 795722388 /nfs/dbraw/zinc/72/23/88/795722388.db2.gz MVWROZLLDAFKOJ-CZUORRHYSA-N 0 3 316.417 2.178 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001122143970 795730416 /nfs/dbraw/zinc/73/04/16/795730416.db2.gz RZOGGSJQYKKOAJ-PMPSAXMXSA-N 0 3 323.481 2.191 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001122536914 795773809 /nfs/dbraw/zinc/77/38/09/795773809.db2.gz DJRAOQKYJZHOFR-CABCVRRESA-N 0 3 321.469 2.074 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001182898050 795777620 /nfs/dbraw/zinc/77/76/20/795777620.db2.gz NPNAGIUSZQAYEW-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001182904776 795778306 /nfs/dbraw/zinc/77/83/06/795778306.db2.gz LYVMCEHQIUTIRG-OAHLLOKOSA-N 0 3 302.422 2.078 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)/C=C\c2ccco2)s1 ZINC001122735751 795799371 /nfs/dbraw/zinc/79/93/71/795799371.db2.gz UFETWWRDOWICMP-UTCJRWHESA-N 0 3 301.371 2.132 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)C1CCCCC1 ZINC001122814191 795807434 /nfs/dbraw/zinc/80/74/34/795807434.db2.gz RYTGMLNGLBWERW-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Br)nc1 ZINC000691639949 795864352 /nfs/dbraw/zinc/86/43/52/795864352.db2.gz MLROHJOLZYETJJ-SNVBAGLBSA-N 0 3 311.183 2.194 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H]2CC=CCC2)cc1C#N ZINC001123381339 795903687 /nfs/dbraw/zinc/90/36/87/795903687.db2.gz LEFLRELYXPUUQQ-HNNXBMFYSA-N 0 3 313.401 2.129 20 30 DEEDHN COc1ccc(CNCCNC(=O)CC(C)(C)C)cc1C#N ZINC001123611918 795943386 /nfs/dbraw/zinc/94/33/86/795943386.db2.gz PABSNYBEVYOXHH-UHFFFAOYSA-N 0 3 303.406 2.209 20 30 DEEDHN C=CCCC(=O)NCCNCc1cc(=O)oc2cc(C)ccc12 ZINC001124636495 796078383 /nfs/dbraw/zinc/07/83/83/796078383.db2.gz QDECNLWHBZHCPW-UHFFFAOYSA-N 0 3 314.385 2.273 20 30 DEEDHN C#CCOc1ccc(CN2CCCC[C@](O)(CF)C2)cc1OC ZINC001138342699 796200442 /nfs/dbraw/zinc/20/04/42/796200442.db2.gz AXMJMKZXYLVAHE-SFHVURJKSA-N 0 3 321.392 2.394 20 30 DEEDHN C#CCOc1ccc(CN2CCN(CC3CC3)CC2)cc1OC ZINC001138346115 796201754 /nfs/dbraw/zinc/20/17/54/796201754.db2.gz YBNLXOWGQQOAPW-UHFFFAOYSA-N 0 3 314.429 2.235 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@](C)(O)[C@@H](C)C2)cc1OC ZINC001138344181 796201837 /nfs/dbraw/zinc/20/18/37/796201837.db2.gz ZVTBMDJGKXMTMF-KSSFIOAISA-N 0 3 303.402 2.300 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC(N3CCOCC3)CC2)c1[O-] ZINC001138623262 796245524 /nfs/dbraw/zinc/24/55/24/796245524.db2.gz BCYGDATXONAQGK-UHFFFAOYSA-N 0 3 316.445 2.417 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC001138629081 796246282 /nfs/dbraw/zinc/24/62/82/796246282.db2.gz NFFQYKBLLOMSDK-INIZCTEOSA-N 0 3 302.418 2.421 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC001138629081 796246287 /nfs/dbraw/zinc/24/62/87/796246287.db2.gz NFFQYKBLLOMSDK-INIZCTEOSA-N 0 3 302.418 2.421 20 30 DEEDHN C=CCC[C@@H](C)NCc1cn([C@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185834404 796321185 /nfs/dbraw/zinc/32/11/85/796321185.db2.gz QFYCVEMGVUTBHY-ZBFHGGJFSA-N 0 3 319.453 2.296 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001185960556 796344525 /nfs/dbraw/zinc/34/45/25/796344525.db2.gz ZAVGIGKVUCLTHH-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H](Oc4cnccn4)C3)c2c1 ZINC001140116562 796478743 /nfs/dbraw/zinc/47/87/43/796478743.db2.gz ATQDAWAZMUWARR-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cccc(F)n3)C2)C1=O ZINC001140131141 796482232 /nfs/dbraw/zinc/48/22/32/796482232.db2.gz OUBFWGHXSKHZGJ-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN CN(C)Cc1ccc(C(=O)Nc2cc(C#N)c(C#N)cc2N)cc1 ZINC001187294919 796520389 /nfs/dbraw/zinc/52/03/89/796520389.db2.gz GFOMJWZNPAMCHQ-UHFFFAOYSA-N 0 3 319.368 2.326 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001187320197 796523331 /nfs/dbraw/zinc/52/33/31/796523331.db2.gz NEAFUQCMQWJYDL-RWMBFGLXSA-N 0 3 317.355 2.411 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001187341372 796529014 /nfs/dbraw/zinc/52/90/14/796529014.db2.gz UCYRJRLOWQHLTQ-HZPDHXFCSA-N 0 3 323.481 2.158 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC001187358374 796530535 /nfs/dbraw/zinc/53/05/35/796530535.db2.gz MEHOYNXCOPQPAJ-GFCCVEGCSA-N 0 3 308.784 2.235 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)cn1 ZINC001140539924 796535641 /nfs/dbraw/zinc/53/56/41/796535641.db2.gz DBZNDQMJKMOWDC-CVEARBPZSA-N 0 3 304.353 2.121 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H]2CN(CCOCC(C)C)C[C@H]21 ZINC001187591484 796551032 /nfs/dbraw/zinc/55/10/32/796551032.db2.gz OQBLCSYRAALEGG-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN O=C1C=C2CN(Cc3c[nH]nc3C(F)(F)F)CCC2S1 ZINC001141014374 796617286 /nfs/dbraw/zinc/61/72/86/796617286.db2.gz KDYSOSUPDGFXQF-VIFPVBQESA-N 0 3 303.309 2.203 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CN(CCOCC)C[C@H]21 ZINC001188033135 796620556 /nfs/dbraw/zinc/62/05/56/796620556.db2.gz CKFLQMXYGJYTRN-DLBZAZTESA-N 0 3 306.450 2.324 20 30 DEEDHN N#Cc1ccc(Oc2ccc(CN3C[C@H](CO)[C@H](O)C3)cc2)cc1 ZINC001141289602 796656959 /nfs/dbraw/zinc/65/69/59/796656959.db2.gz LFJWRTSCRKPZCM-VQIMIIECSA-N 0 3 324.380 2.136 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OCC)c(F)c1 ZINC000838624025 796672034 /nfs/dbraw/zinc/67/20/34/796672034.db2.gz CKCKIBGCFFTYOG-UHFFFAOYSA-N 0 3 307.369 2.301 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H]2CN(CCOCC)C[C@H]21 ZINC001188794631 796716228 /nfs/dbraw/zinc/71/62/28/796716228.db2.gz WWZARCTUYUFIKS-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001188821575 796727303 /nfs/dbraw/zinc/72/73/03/796727303.db2.gz RORUVXJIGIGSMH-HNNXBMFYSA-N 0 3 306.406 2.245 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccc(F)cc2)CCOCC1 ZINC001149305744 796839434 /nfs/dbraw/zinc/83/94/34/796839434.db2.gz JQEPQRQIIBSDIM-UHFFFAOYSA-N 0 3 320.408 2.404 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN(CC2CC(F)(F)C2)CCCO1 ZINC001149363664 796845890 /nfs/dbraw/zinc/84/58/90/796845890.db2.gz ZARMUWMSFBARPO-AWEZNQCLSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001149666778 796883280 /nfs/dbraw/zinc/88/32/80/796883280.db2.gz MEYYNRHGSDNCIE-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CN(C[C@H]2CCCCO2)CCCO1 ZINC001150212391 796929173 /nfs/dbraw/zinc/92/91/73/796929173.db2.gz QNKXEFFHTBHMBY-SJORKVTESA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001150394881 796940831 /nfs/dbraw/zinc/94/08/31/796940831.db2.gz NKXMCKYDRRSZOR-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001150508500 796949710 /nfs/dbraw/zinc/94/97/10/796949710.db2.gz UVEGNGDRXOTYPG-FUHWJXTLSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C2CC3(CC3)C2)CC1 ZINC001151294419 797030734 /nfs/dbraw/zinc/03/07/34/797030734.db2.gz GATKATOTPVJVDQ-UHFFFAOYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cc(CC)on2)CC1 ZINC001151398975 797039443 /nfs/dbraw/zinc/03/94/43/797039443.db2.gz KRNQKEMAWYSSRB-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2oncc2C)CC1 ZINC001151382140 797039785 /nfs/dbraw/zinc/03/97/85/797039785.db2.gz YSMJITAGOKYVOV-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001190675956 797056202 /nfs/dbraw/zinc/05/62/02/797056202.db2.gz BIJUYFZNGPJHTH-MRVWCRGKSA-N 0 3 308.447 2.186 20 30 DEEDHN C[C@H]1CC[C@H](CCC(=O)NCCNCc2ccc(C#N)s2)O1 ZINC001151793325 797097153 /nfs/dbraw/zinc/09/71/53/797097153.db2.gz ATUSRWDBMCILNY-QWHCGFSZSA-N 0 3 321.446 2.173 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001190910389 797111433 /nfs/dbraw/zinc/11/14/33/797111433.db2.gz IFXLBZAGNUJEIE-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001190968009 797116003 /nfs/dbraw/zinc/11/60/03/797116003.db2.gz BAXXATGNWICJHO-BRWVUGGUSA-N 0 3 306.450 2.250 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@H](C)OC ZINC001152320641 797171370 /nfs/dbraw/zinc/17/13/70/797171370.db2.gz VTYLIWPUXLLPKH-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001191304326 797174395 /nfs/dbraw/zinc/17/43/95/797174395.db2.gz XWWOHXAMBZJZHB-BZUAXINKSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001191569717 797229086 /nfs/dbraw/zinc/22/90/86/797229086.db2.gz RPACOSRCWDGICR-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN CC(C)CCO[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001153165765 797293283 /nfs/dbraw/zinc/29/32/83/797293283.db2.gz BZYVCZUCUOEIBB-HNNXBMFYSA-N 0 3 317.433 2.215 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001153312563 797319337 /nfs/dbraw/zinc/31/93/37/797319337.db2.gz KRJNAQLRVPRYKD-CABCVRRESA-N 0 3 315.889 2.438 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(F)c(F)cc(F)c1F ZINC001153522013 797348698 /nfs/dbraw/zinc/34/86/98/797348698.db2.gz UXHLPNJDFRJXFG-SECBINFHSA-N 0 3 316.298 2.316 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001153720344 797380684 /nfs/dbraw/zinc/38/06/84/797380684.db2.gz DEHLADZQMMARCP-CQSZACIVSA-N 0 3 318.465 2.410 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001153728702 797383121 /nfs/dbraw/zinc/38/31/21/797383121.db2.gz SQMGMFNQPHAFNP-CABCVRRESA-N 0 3 315.889 2.440 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C1(COC)CCCCC1 ZINC001153733960 797383301 /nfs/dbraw/zinc/38/33/01/797383301.db2.gz RIGUEKUOQFRXBO-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001192454021 797390723 /nfs/dbraw/zinc/39/07/23/797390723.db2.gz CICUQVWSEOTNMB-ARFHVFGLSA-N 0 3 318.417 2.118 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(F)(F)F)no1 ZINC001153926186 797424632 /nfs/dbraw/zinc/42/46/32/797424632.db2.gz FWCUGELPTOBYRS-SNVBAGLBSA-N 0 3 317.311 2.157 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1COC ZINC001154146576 797473714 /nfs/dbraw/zinc/47/37/14/797473714.db2.gz UKHVJYSYJWNVEU-OAHLLOKOSA-N 0 3 302.418 2.297 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001154327178 797514288 /nfs/dbraw/zinc/51/42/88/797514288.db2.gz ABOFEPPDFPMPGW-QAPCUYQASA-N 0 3 314.429 2.148 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001154364209 797522952 /nfs/dbraw/zinc/52/29/52/797522952.db2.gz QOBYSUVQEXRISW-HUUCEWRRSA-N 0 3 314.429 2.474 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCCCC)C[C@H]1O ZINC001193312640 797551614 /nfs/dbraw/zinc/55/16/14/797551614.db2.gz JVZJVJKUTKJWRC-CHWSQXEVSA-N 0 3 302.846 2.117 20 30 DEEDHN CC(=O)CCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154575383 797564986 /nfs/dbraw/zinc/56/49/86/797564986.db2.gz KDTRUHOXKYXBIN-UHFFFAOYSA-N 0 3 319.380 2.053 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC001154596342 797571117 /nfs/dbraw/zinc/57/11/17/797571117.db2.gz MSSSUJCRMJDQND-CVEARBPZSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2ccc(OC)cc2)C1 ZINC001194017680 797663388 /nfs/dbraw/zinc/66/33/88/797663388.db2.gz RMLLWGWVVIJSTC-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2nc(C)c(C)s2)C1 ZINC001194097706 797681382 /nfs/dbraw/zinc/68/13/82/797681382.db2.gz FPVQHORGYPWFMN-CQSZACIVSA-N 0 3 323.462 2.109 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226876 797712495 /nfs/dbraw/zinc/71/24/95/797712495.db2.gz QECOCIVUAIUAQI-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CCCC(F)(F)F ZINC001155412704 797751401 /nfs/dbraw/zinc/75/14/01/797751401.db2.gz NDFMGZITKWHMKJ-CYBMUJFWSA-N 0 3 322.371 2.195 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2cnccc2n1 ZINC001155439074 797757936 /nfs/dbraw/zinc/75/79/36/797757936.db2.gz LGTBTRMZFZVQLT-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1c(C)noc1Cl ZINC001155829408 797860094 /nfs/dbraw/zinc/86/00/94/797860094.db2.gz LWNWWZFZYLCXAK-LLVKDONJSA-N 0 3 311.813 2.029 20 30 DEEDHN COc1cccc(Cl)c1CNCCCNC(=O)[C@H](C)C#N ZINC001155841680 797863285 /nfs/dbraw/zinc/86/32/85/797863285.db2.gz IEYMOLCQDMMOJY-LLVKDONJSA-N 0 3 309.797 2.104 20 30 DEEDHN CC/C=C\CCN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001195497787 797915239 /nfs/dbraw/zinc/91/52/39/797915239.db2.gz QSAAJIBOALARNA-ARJAWSKDSA-N 0 3 300.406 2.391 20 30 DEEDHN C[C@H](C(=O)NCCCNCc1ccc(C#N)cc1F)C1CC1 ZINC001156250301 797958110 /nfs/dbraw/zinc/95/81/10/797958110.db2.gz UGFZHJCCQBVCAX-LBPRGKRZSA-N 0 3 303.381 2.339 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCCN(CCC[C@@H]2CCOC2)CC1 ZINC001195785842 797961524 /nfs/dbraw/zinc/96/15/24/797961524.db2.gz YAUSDSUIBKRNLG-QGZVFWFLSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(CCCC)c1CC ZINC001156283520 797965979 /nfs/dbraw/zinc/96/59/79/797965979.db2.gz YZYZTEOMLKGYRT-OAHLLOKOSA-N 0 3 318.465 2.319 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2c(Cl)cnn2C)CC1 ZINC001195864872 797977738 /nfs/dbraw/zinc/97/77/38/797977738.db2.gz BWVMRAZPVVTSKV-UHFFFAOYSA-N 0 3 310.829 2.188 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)C[C@@H]1CCCCO1 ZINC001156442728 798001582 /nfs/dbraw/zinc/00/15/82/798001582.db2.gz ZQQBTYGMTCNANU-KRWDZBQOSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCCCCCC(=O)N1CCCN(CCC[C@@H](C)O)CC1 ZINC001196771217 798107785 /nfs/dbraw/zinc/10/77/85/798107785.db2.gz USCOFVVUCHCUAP-QGZVFWFLSA-N 0 3 308.466 2.265 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC001197149655 798154685 /nfs/dbraw/zinc/15/46/85/798154685.db2.gz FCEOSDHWJBBSEU-UHFFFAOYSA-N 0 3 319.453 2.147 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N1CCN[C@H](c2ccccc2)C1 ZINC001157758639 798272326 /nfs/dbraw/zinc/27/23/26/798272326.db2.gz AMJPEVWKIYFPBY-HNNXBMFYSA-N 0 3 309.329 2.012 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001198247952 798303914 /nfs/dbraw/zinc/30/39/14/798303914.db2.gz HDHQVRHSDPBIFP-OPQOLIRYSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001198400451 798328888 /nfs/dbraw/zinc/32/88/88/798328888.db2.gz NESABEMNRZYDPI-IUIKQTSFSA-N 0 3 324.371 2.094 20 30 DEEDHN C=C(C)CCN[C@H](CNC(=O)COCC)c1ccccc1OC ZINC001198505923 798344377 /nfs/dbraw/zinc/34/43/77/798344377.db2.gz AUNIKHCYNIPSGB-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2nc[nH]c2n1 ZINC001158124729 798347731 /nfs/dbraw/zinc/34/77/31/798347731.db2.gz UBDCFILTMNUJIK-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H]1CCCO1)c1ccccc1OC ZINC001198514619 798352064 /nfs/dbraw/zinc/35/20/64/798352064.db2.gz DDRSGQFEAJWPGD-NVXWUHKLSA-N 0 3 318.417 2.197 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198693796 798377165 /nfs/dbraw/zinc/37/71/65/798377165.db2.gz DDLDPJHNSYHVSY-CRAIPNDOSA-N 0 3 320.433 2.178 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(CCC)n[nH]1 ZINC001158300641 798378317 /nfs/dbraw/zinc/37/83/17/798378317.db2.gz IRUUFUBRAAXIIS-OAHLLOKOSA-N 0 3 304.438 2.475 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H](O)C(C)C)c1ccccc1OC ZINC001198703004 798378381 /nfs/dbraw/zinc/37/83/81/798378381.db2.gz DLURIZMQPFXARO-NVXWUHKLSA-N 0 3 320.433 2.035 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001198970600 798421402 /nfs/dbraw/zinc/42/14/02/798421402.db2.gz PKHYBRQVKYWGFJ-NWANDNLSSA-N 0 3 322.474 2.440 20 30 DEEDHN C=CCCCCC[NH2+]CCCNC(=O)c1cccc2n[n-]nc21 ZINC001158712498 798454894 /nfs/dbraw/zinc/45/48/94/798454894.db2.gz CPSHXQBBNDSGPL-UHFFFAOYSA-N 0 3 315.421 2.414 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)Cc2ccsc2)CC1 ZINC001159193388 798537615 /nfs/dbraw/zinc/53/76/15/798537615.db2.gz VAWUYADSGBLKHC-UHFFFAOYSA-N 0 3 302.443 2.452 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCC1=CCN(CC#CC)CC1 ZINC001159488914 798571175 /nfs/dbraw/zinc/57/11/75/798571175.db2.gz WSZBXPPWQHZWON-INIZCTEOSA-N 0 3 304.434 2.129 20 30 DEEDHN Cc1c(Cl)c(Cl)nc(N[C@H](C)[C@H]2CNCCO2)c1C#N ZINC001159495220 798572328 /nfs/dbraw/zinc/57/23/28/798572328.db2.gz DDFOMQDZYTYICF-PSASIEDQSA-N 0 3 315.204 2.357 20 30 DEEDHN C[C@@H](Nc1nc(-c2cccs2)ccc1C#N)[C@H]1CNCCO1 ZINC001159503337 798574874 /nfs/dbraw/zinc/57/48/74/798574874.db2.gz WLAAKYWTCHLLRR-BXUZGUMPSA-N 0 3 314.414 2.471 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001159665047 798593939 /nfs/dbraw/zinc/59/39/39/798593939.db2.gz JFEBWXHIJBXQME-KGLIPLIRSA-N 0 3 302.846 2.430 20 30 DEEDHN N#Cc1ccc(CNC(=S)NCCN2CCCCC2)cc1F ZINC001200440205 798628173 /nfs/dbraw/zinc/62/81/73/798628173.db2.gz LFIXFIGAJCMJDV-UHFFFAOYSA-N 0 3 320.437 2.147 20 30 DEEDHN COc1cc(NC(=S)NCCN2CCCCC2)ccc1C#N ZINC001200430657 798636596 /nfs/dbraw/zinc/63/65/96/798636596.db2.gz DFIDXXWVAUWTEK-UHFFFAOYSA-N 0 3 318.446 2.339 20 30 DEEDHN C=CC[C@@H](NCc1ccc(OCC(N)=O)cc1)c1ccncc1 ZINC001200563530 798649845 /nfs/dbraw/zinc/64/98/45/798649845.db2.gz XSORDSUBAMJMAT-QGZVFWFLSA-N 0 3 311.385 2.353 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(CC(C)C)CC2)CCCO1 ZINC001200663764 798662736 /nfs/dbraw/zinc/66/27/36/798662736.db2.gz URQOHTGTEVQXAS-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN N#Cc1ccc(OCCNc2cccc(N3CCOCC3)n2)cc1 ZINC001160283069 798670486 /nfs/dbraw/zinc/67/04/86/798670486.db2.gz IKBQUJVGNAZZQP-UHFFFAOYSA-N 0 3 324.384 2.281 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C(C)(C)C2CCCC2)CCCO1 ZINC001200703516 798670413 /nfs/dbraw/zinc/67/04/13/798670413.db2.gz CLLPXFKUKSWWMZ-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC001200795138 798681911 /nfs/dbraw/zinc/68/19/11/798681911.db2.gz WMXALQCXBIYYTA-UHFFFAOYSA-N 0 3 321.421 2.366 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N[C@H](C)c2cnccn2)CC1 ZINC001200823386 798683174 /nfs/dbraw/zinc/68/31/74/798683174.db2.gz GWLJPHKCOWLCLI-CQSZACIVSA-N 0 3 302.422 2.475 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)CCOCC(F)(F)F)CC1 ZINC001160563511 798706271 /nfs/dbraw/zinc/70/62/71/798706271.db2.gz DMYSRCBGBXXNDT-UHFFFAOYSA-N 0 3 320.355 2.280 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@H](CNC/C=C\Cl)C1 ZINC001201139759 798714815 /nfs/dbraw/zinc/71/48/15/798714815.db2.gz YVBHQOLVERVNRX-SCXUMTSISA-N 0 3 300.830 2.158 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C(C)(C)C(C)(C)C)CCCO1 ZINC001201138318 798715008 /nfs/dbraw/zinc/71/50/08/798715008.db2.gz JZPSNUBPVVEXEF-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CCC1(F)F ZINC001160670492 798719681 /nfs/dbraw/zinc/71/96/81/798719681.db2.gz PNHBCDTVIUHXFF-VIFPVBQESA-N 0 3 311.170 2.036 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@@H](CNC/C=C\Cl)C1 ZINC001201284218 798728433 /nfs/dbraw/zinc/72/84/33/798728433.db2.gz QTFBZIWIGIHBJM-PODYEWJSSA-N 0 3 300.830 2.302 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc(C3CC3)on2)CC1 ZINC001160810713 798744338 /nfs/dbraw/zinc/74/43/38/798744338.db2.gz WFBUQFANQAFOQC-UHFFFAOYSA-N 0 3 313.401 2.327 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](C)c2ccsc2)CCCO1 ZINC001201389042 798749921 /nfs/dbraw/zinc/74/99/21/798749921.db2.gz IIHBLDDVWMISFW-HOCLYGCPSA-N 0 3 320.458 2.082 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)CCCO1 ZINC001201849040 798804125 /nfs/dbraw/zinc/80/41/25/798804125.db2.gz SJWKPTJAPXQHES-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCCCC(=O)N1CCC(NCc2conc2C)CC1 ZINC001202075803 798828411 /nfs/dbraw/zinc/82/84/11/798828411.db2.gz MATANHWHSPKKBJ-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC001202130048 798830841 /nfs/dbraw/zinc/83/08/41/798830841.db2.gz CZYININGOGBJOT-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202138215 798832009 /nfs/dbraw/zinc/83/20/09/798832009.db2.gz NMMUGTWERUZSRQ-HNNXBMFYSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2nn(C)c(C)c2Cl)CC1 ZINC001161349229 798833841 /nfs/dbraw/zinc/83/38/41/798833841.db2.gz DYYCEUOFBCWGCD-UHFFFAOYSA-N 0 3 322.840 2.320 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](CCCC)C(C)C)CCCO1 ZINC001202174523 798836533 /nfs/dbraw/zinc/83/65/33/798836533.db2.gz VRBAMNNWWDYAAS-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN CC(=O)N[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC001202279570 798855512 /nfs/dbraw/zinc/85/55/12/798855512.db2.gz KSYPUPFKKCZULV-DLBZAZTESA-N 0 3 300.377 2.214 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC001161485374 798868483 /nfs/dbraw/zinc/86/84/83/798868483.db2.gz JMKAZXNNZFLOHJ-ZDUSSCGKSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1n[nH]c(C2CC2)c1Cl ZINC001161806955 798941488 /nfs/dbraw/zinc/94/14/88/798941488.db2.gz MEFLBBFLBXWRSB-UHFFFAOYSA-N 0 3 317.220 2.403 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CC23CCOCC3)CC1 ZINC001162021813 798996399 /nfs/dbraw/zinc/99/63/99/798996399.db2.gz ULKUQHKLYRGHFQ-MRXNPFEDSA-N 0 3 304.434 2.128 20 30 DEEDHN CC#CCN1CCC(CNC(=O)/C=C(/C)C2CC2)(COC)CC1 ZINC001162145737 799021076 /nfs/dbraw/zinc/02/10/76/799021076.db2.gz FMMCTYYSPRVXIP-SSZFMOIBSA-N 0 3 318.461 2.211 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)C1CCOCC1 ZINC001162167573 799025326 /nfs/dbraw/zinc/02/53/26/799025326.db2.gz YFWOHWOQEVSBSZ-UHFFFAOYSA-N 0 3 302.846 2.288 20 30 DEEDHN C#CCCCCC(=O)NCC1(COC)CCN(CC#CC)CC1 ZINC001162213879 799033319 /nfs/dbraw/zinc/03/33/19/799033319.db2.gz HTKYDWHXLCHDFL-UHFFFAOYSA-N 0 3 318.461 2.048 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(C)CCCC2)(COC)CC1 ZINC001162382678 799074710 /nfs/dbraw/zinc/07/47/10/799074710.db2.gz IMDGELQUYPOQRR-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)c1cccnc1 ZINC001162672866 799142954 /nfs/dbraw/zinc/14/29/54/799142954.db2.gz FKTORIRHWCSJLG-UHFFFAOYSA-N 0 3 321.424 2.379 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)c1c[nH]c(C)n1 ZINC001162741169 799163398 /nfs/dbraw/zinc/16/33/98/799163398.db2.gz JZIXHCIOCCKMOV-UHFFFAOYSA-N 0 3 324.428 2.016 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1CCC1(F)F ZINC001162840965 799186641 /nfs/dbraw/zinc/18/66/41/799186641.db2.gz KIFQLJJXRZMGIR-INIZCTEOSA-N 0 3 320.383 2.326 20 30 DEEDHN C=CC[C@@](C)(Nc1cc(Cl)nc2c1CCNC2)C(=O)OC ZINC001163091239 799243032 /nfs/dbraw/zinc/24/30/32/799243032.db2.gz IHPSPZHZDXZKRH-OAHLLOKOSA-N 0 3 309.797 2.300 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2Cc3ccccc3CO2)CC1 ZINC001006362227 799265829 /nfs/dbraw/zinc/26/58/29/799265829.db2.gz QKJAHTYGYIKSNC-SFHVURJKSA-N 0 3 314.429 2.237 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(N(C)CCC[NH+](C)C)n1 ZINC001163595732 799384580 /nfs/dbraw/zinc/38/45/80/799384580.db2.gz LLLYUQAVFMNIFA-RIYZIHGNSA-N 0 3 317.846 2.048 20 30 DEEDHN COc1cc(N[C@H]2CCCC[C@@]23CNCCO3)ccc1CC#N ZINC001163649929 799394908 /nfs/dbraw/zinc/39/49/08/799394908.db2.gz GXJZJOOCOOGAQR-ZWKOTPCHSA-N 0 3 315.417 2.474 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCNCc2conc2CC)cc1 ZINC001163734514 799418870 /nfs/dbraw/zinc/41/88/70/799418870.db2.gz QTPLZGWBLFEKRU-UHFFFAOYSA-N 0 3 311.385 2.128 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)C(F)(F)F ZINC001164081368 799505364 /nfs/dbraw/zinc/50/53/64/799505364.db2.gz SJBREGFGTKQGGC-QMMMGPOBSA-N 0 3 317.149 2.189 20 30 DEEDHN CN(c1ccc(C2(C#N)CCCCC2)cc1)S(=O)(=O)CCN ZINC001164297039 799563409 /nfs/dbraw/zinc/56/34/09/799563409.db2.gz HTXYCQIVSWKABH-UHFFFAOYSA-N 0 3 321.446 2.137 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCCNCC(=O)Nc1ccccc1 ZINC001164317670 799569581 /nfs/dbraw/zinc/56/95/81/799569581.db2.gz IDUSHEAOPDOILO-HNNXBMFYSA-N 0 3 317.433 2.323 20 30 DEEDHN Cc1nc(C)c(CNCC2(CCNC(=O)C#CC3CC3)CC2)o1 ZINC001164478987 799606853 /nfs/dbraw/zinc/60/68/53/799606853.db2.gz BMWNHRJJVVKQKC-UHFFFAOYSA-N 0 3 315.417 2.081 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(C)nn2)CC1 ZINC001164487274 799607953 /nfs/dbraw/zinc/60/79/53/799607953.db2.gz NNROVAQHQVPONM-UHFFFAOYSA-N 0 3 308.813 2.027 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cn1cnc2ccc(C)cc21 ZINC001164528365 799617872 /nfs/dbraw/zinc/61/78/72/799617872.db2.gz PUCXRRRHLILGNB-UHFFFAOYSA-N 0 3 320.824 2.193 20 30 DEEDHN C=CCCCC(=O)NCCCNCc1cccc(OCC)n1 ZINC001165535706 799743722 /nfs/dbraw/zinc/74/37/22/799743722.db2.gz WKMSBRLJTHDPJT-UHFFFAOYSA-N 0 3 305.422 2.433 20 30 DEEDHN C[C@@H]1CC[C@@H](CC(=O)NCCCNCc2ccccc2C#N)O1 ZINC001165823601 799779363 /nfs/dbraw/zinc/77/93/63/799779363.db2.gz SNRCJMVFLOYJMO-PBHICJAKSA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@H]1C[C@H]1CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001165886943 799786986 /nfs/dbraw/zinc/78/69/86/799786986.db2.gz OLWDVEPGUYAQDA-WFASDCNBSA-N 0 3 303.381 2.339 20 30 DEEDHN C[C@@H]1C[C@H]1CC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001165886940 799787180 /nfs/dbraw/zinc/78/71/80/799787180.db2.gz OLWDVEPGUYAQDA-DOMZBBRYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1cc(OC)ccn1 ZINC001165922012 799796992 /nfs/dbraw/zinc/79/69/92/799796992.db2.gz YLMHMHPMYZLUJM-KRWDZBQOSA-N 0 3 305.422 2.288 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932664128 799883804 /nfs/dbraw/zinc/88/38/04/799883804.db2.gz AMFVIQKEXDGYLL-NWDGAFQWSA-N 0 3 310.419 2.046 20 30 DEEDHN C=CCCOCC(=O)N1CCC(NCc2nc(C)cs2)CC1 ZINC001204015912 800159450 /nfs/dbraw/zinc/15/94/50/800159450.db2.gz GWFJDOBXEMXIDQ-UHFFFAOYSA-N 0 3 323.462 2.125 20 30 DEEDHN CN1CCN(Cc2cccc(Nc3cncc(C#N)c3)c2)CC1 ZINC001204490608 800220261 /nfs/dbraw/zinc/22/02/61/800220261.db2.gz ALEBPSCBCIAFQU-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN CN1CCN(Cc2ccc(Nc3cncc(C#N)c3)cc2)CC1 ZINC001204724435 800250008 /nfs/dbraw/zinc/25/00/08/800250008.db2.gz JOUWHNOTZFWYNT-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC001205757326 800414963 /nfs/dbraw/zinc/41/49/63/800414963.db2.gz XDWXFXZNOWJBRK-CZUORRHYSA-N 0 3 306.381 2.078 20 30 DEEDHN Cc1ncc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cn1 ZINC001205840062 800430352 /nfs/dbraw/zinc/43/03/52/800430352.db2.gz MSMSGFUEWHIRKF-LBPRGKRZSA-N 0 3 311.345 2.191 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000934739124 800441636 /nfs/dbraw/zinc/44/16/36/800441636.db2.gz DSOIHKRSFCYTKN-YOEHRIQHSA-N 0 3 323.437 2.390 20 30 DEEDHN C=C(CN1CCCC1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001206100326 800474014 /nfs/dbraw/zinc/47/40/14/800474014.db2.gz MHQQBUCXGUMEKW-UHFFFAOYSA-N 0 3 319.296 2.288 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(CCOCC)CCC2)C1 ZINC001206979376 800646397 /nfs/dbraw/zinc/64/63/97/800646397.db2.gz TUCGNWGAXBUQCB-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1cc(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)on1 ZINC001207276869 800720942 /nfs/dbraw/zinc/72/09/42/800720942.db2.gz MHQRFWFZDWPPMC-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](CC)CCCC)C1 ZINC001207421460 800747948 /nfs/dbraw/zinc/74/79/48/800747948.db2.gz UFRYPIPEKBVSFY-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1scnc1C)C2 ZINC001111218640 800881403 /nfs/dbraw/zinc/88/14/03/800881403.db2.gz QKJORIMYQSTCJJ-KFWWJZLASA-N 0 3 317.458 2.129 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(OC)c(F)c2)C1 ZINC001207972777 800882149 /nfs/dbraw/zinc/88/21/49/800882149.db2.gz ASLZVQNJISVWRQ-CZUORRHYSA-N 0 3 320.408 2.389 20 30 DEEDHN O=C([C@H]1CC1(F)F)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207986289 800884412 /nfs/dbraw/zinc/88/44/12/800884412.db2.gz JSLJVKUGEQRPHH-JKSUJKDBSA-N 0 3 318.367 2.274 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2c(C)nnn2CC)C1 ZINC001208255668 800941964 /nfs/dbraw/zinc/94/19/64/800941964.db2.gz OLQIFCPNPOXKJL-HNNXBMFYSA-N 0 3 319.453 2.043 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001208258850 800942828 /nfs/dbraw/zinc/94/28/28/800942828.db2.gz SBVXKGPINUOFCE-MRXNPFEDSA-N 0 3 302.422 2.222 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CC(C)(C)CO2)C[C@H]1C ZINC001208315092 800952401 /nfs/dbraw/zinc/95/24/01/800952401.db2.gz JOGASQJYGKFGHN-RBSFLKMASA-N 0 3 308.466 2.450 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001208391669 800973047 /nfs/dbraw/zinc/97/30/47/800973047.db2.gz SUDXTXRXQXRGBU-BFYDXBDKSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001208393904 800974077 /nfs/dbraw/zinc/97/40/77/800974077.db2.gz ZITUPAXYADWVIK-BFYDXBDKSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC001208479929 800991684 /nfs/dbraw/zinc/99/16/84/800991684.db2.gz XIWHXHQFLRFOPS-CZUORRHYSA-N 0 3 306.381 2.217 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001208570861 801014932 /nfs/dbraw/zinc/01/49/32/801014932.db2.gz AGZPPWFEQAHSLA-IJEWVQPXSA-N 0 3 322.474 2.491 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN(C[C@@H]3CCC=CO3)C2)CC1 ZINC001208873630 801083790 /nfs/dbraw/zinc/08/37/90/801083790.db2.gz IOJUBVDWQCRWLE-HNNXBMFYSA-N 0 3 306.406 2.400 20 30 DEEDHN COc1ccnc(O[C@@H]2CCN(CCc3ccc(C#N)cc3)C2)n1 ZINC001208927596 801094667 /nfs/dbraw/zinc/09/46/67/801094667.db2.gz AEMMWEDTNYZHRJ-MRXNPFEDSA-N 0 3 324.384 2.053 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC001208928626 801095842 /nfs/dbraw/zinc/09/58/42/801095842.db2.gz JLKBKZSKLNTRNO-KRWDZBQOSA-N 0 3 313.401 2.477 20 30 DEEDHN CCOC(=O)CCN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001209037199 801117637 /nfs/dbraw/zinc/11/76/37/801117637.db2.gz ALEIAEOZZQMGQT-MRXNPFEDSA-N 0 3 302.374 2.355 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001209160896 801140259 /nfs/dbraw/zinc/14/02/59/801140259.db2.gz CWLTYFZRWMWLSO-QEJZJMRPSA-N 0 3 321.446 2.071 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001209183053 801144981 /nfs/dbraw/zinc/14/49/81/801144981.db2.gz LBKYWXYMKMGKLH-GJZGRUSLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001209188129 801145524 /nfs/dbraw/zinc/14/55/24/801145524.db2.gz NAJWQFUCPLJTIW-CZUORRHYSA-N 0 3 322.474 2.238 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001209185830 801146061 /nfs/dbraw/zinc/14/60/61/801146061.db2.gz XNFDPTHZLCSJQO-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccsc2Cl)C1 ZINC001209369055 801177706 /nfs/dbraw/zinc/17/77/06/801177706.db2.gz DTRCIDQHFYVXOG-GHMZBOCLSA-N 0 3 314.838 2.403 20 30 DEEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)cc(F)c1O ZINC001209527928 801207055 /nfs/dbraw/zinc/20/70/55/801207055.db2.gz QCNPNFYPWCHSJL-CYBMUJFWSA-N 0 3 309.362 2.314 20 30 DEEDHN CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001229181265 801237793 /nfs/dbraw/zinc/23/77/93/801237793.db2.gz VGBIMRFLHJRFHD-HZPDHXFCSA-N 0 3 308.470 2.039 20 30 DEEDHN CC1=C(Oc2ccc(C(=O)CCN(C)C)cc2)C(=O)[C@H](C)O1 ZINC001229302986 801254055 /nfs/dbraw/zinc/25/40/55/801254055.db2.gz OOHDYRFDRHDYJF-NSHDSACASA-N 0 3 303.358 2.419 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)CCCn2ccnc2C)C1 ZINC001210134673 801338614 /nfs/dbraw/zinc/33/86/14/801338614.db2.gz XWYFSYMWIJPXFJ-HNNXBMFYSA-N 0 3 324.856 2.305 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC001230166063 801367265 /nfs/dbraw/zinc/36/72/65/801367265.db2.gz DCSXYIQYGNVNNH-UHFFFAOYSA-N 0 3 320.408 2.151 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001230327712 801386990 /nfs/dbraw/zinc/38/69/90/801386990.db2.gz FZEGWSHJLYSERK-MGPQQGTHSA-N 0 3 300.830 2.347 20 30 DEEDHN CCOCCN1CCC(NC(=O)CC#Cc2ccccc2)CC1 ZINC001230328842 801387435 /nfs/dbraw/zinc/38/74/35/801387435.db2.gz ZCCYRRAUTVJVTC-UHFFFAOYSA-N 0 3 314.429 2.045 20 30 DEEDHN N#Cc1ccc(C[N@@H+]2CCN[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001210383736 801389937 /nfs/dbraw/zinc/38/99/37/801389937.db2.gz UAQBAFDJXLCKTF-SFHVURJKSA-N 0 3 307.397 2.280 20 30 DEEDHN N#Cc1ccc(C[N@H+]2CCN[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001210383736 801389944 /nfs/dbraw/zinc/38/99/44/801389944.db2.gz UAQBAFDJXLCKTF-SFHVURJKSA-N 0 3 307.397 2.280 20 30 DEEDHN C=C(C)CN(CCCNC(=O)c1cn[nH]c1)Cc1cccnc1 ZINC001230692762 801463991 /nfs/dbraw/zinc/46/39/91/801463991.db2.gz PCCTVXGDODGRGW-UHFFFAOYSA-N 0 3 313.405 2.003 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001210804036 801467174 /nfs/dbraw/zinc/46/71/74/801467174.db2.gz DRXJYXKVZKBTND-HUUCEWRRSA-N 0 3 311.470 2.191 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COCc2ccccc2)C1 ZINC001210944074 801491301 /nfs/dbraw/zinc/49/13/01/801491301.db2.gz ZHTVXRPIYNFSNY-NVXWUHKLSA-N 0 3 302.418 2.216 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC001210992666 801497107 /nfs/dbraw/zinc/49/71/07/801497107.db2.gz SPTLNOYRKGSAPQ-IAGOWNOFSA-N 0 3 314.429 2.142 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001211054450 801506197 /nfs/dbraw/zinc/50/61/97/801506197.db2.gz OSMSQVRCFNJZLA-UHOFOFEASA-N 0 3 304.438 2.074 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC001230855466 801513276 /nfs/dbraw/zinc/51/32/76/801513276.db2.gz NETKSNCJGJSXPH-ZDUSSCGKSA-N 0 3 308.451 2.431 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cn1cc(C)cn1 ZINC001230989185 801548411 /nfs/dbraw/zinc/54/84/11/801548411.db2.gz PCKIEJWPUNBGBI-QGZVFWFLSA-N 0 3 318.465 2.471 20 30 DEEDHN Cc1ncc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1C#N ZINC001213093347 801575462 /nfs/dbraw/zinc/57/54/62/801575462.db2.gz PUZIVAIIAXMMRB-UHFFFAOYSA-N 0 3 318.340 2.019 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(F)cccc2F)[C@H](OC)C1 ZINC001213772498 801641422 /nfs/dbraw/zinc/64/14/22/801641422.db2.gz ISKNWZGOFMZTMQ-HUUCEWRRSA-N 0 3 324.371 2.360 20 30 DEEDHN CCCCN1C[C@@H](NC(=O)CC#Cc2ccccc2)[C@H](OC)C1 ZINC001213901539 801652854 /nfs/dbraw/zinc/65/28/54/801652854.db2.gz WDTRYYWJJAUFPP-QZTJIDSGSA-N 0 3 314.429 2.044 20 30 DEEDHN C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001214039033 801667290 /nfs/dbraw/zinc/66/72/90/801667290.db2.gz UMDKKPLRYQYNJE-RDTXWAMCSA-N 0 3 314.404 2.414 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CCC)CCC)C1 ZINC001214301617 801702137 /nfs/dbraw/zinc/70/21/37/801702137.db2.gz GRHVMNOQKOYYPZ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#Cc1cccc(CN2CCC3(CC2)N=C(CC)N(C)C3=O)c1 ZINC001231664426 801707058 /nfs/dbraw/zinc/70/70/58/801707058.db2.gz QGRXNWKUAAYFGK-UHFFFAOYSA-N 0 3 309.413 2.283 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1NCC#Cc1ccccc1 ZINC001214567021 801731413 /nfs/dbraw/zinc/73/14/13/801731413.db2.gz YRZNPZOOCHLJID-VNQPRFMTSA-N 0 3 318.367 2.130 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(N)nc1)C2 ZINC001232366722 801861385 /nfs/dbraw/zinc/86/13/85/801861385.db2.gz YEICWBYDGCBVPC-SFHVURJKSA-N 0 3 314.433 2.197 20 30 DEEDHN CN1c2ccccc2[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001232925230 801984550 /nfs/dbraw/zinc/98/45/50/801984550.db2.gz QNLRUMWDBSNOGR-LJQANCHMSA-N 0 3 318.380 2.073 20 30 DEEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC[C@@H]1CCCO1 ZINC001233760605 802199760 /nfs/dbraw/zinc/19/97/60/802199760.db2.gz BKNJUPCGVWCYER-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN CN(CCCNC(=O)c1ccc[nH]1)Cc1ccc(F)c(C#N)c1 ZINC001233873961 802231814 /nfs/dbraw/zinc/23/18/14/802231814.db2.gz MWASZNSRDSDZLY-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCCCCOCC)[C@H]2C1 ZINC001219062337 802279134 /nfs/dbraw/zinc/27/91/34/802279134.db2.gz MCAAGDLWKITHAZ-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CCc2ccoc2)[C@@H](O)C1 ZINC001219453718 802332312 /nfs/dbraw/zinc/33/23/12/802332312.db2.gz OCUDQELBECTGHY-SJORKVTESA-N 0 3 322.449 2.344 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](O)C1 ZINC001219567894 802347940 /nfs/dbraw/zinc/34/79/40/802347940.db2.gz JKUHBMQCFMSJIY-MJBXVCDLSA-N 0 3 308.447 2.186 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@@H](O)C1 ZINC001219630252 802355394 /nfs/dbraw/zinc/35/53/94/802355394.db2.gz WKFVUOPHJJNGIV-OLZOCXBDSA-N 0 3 318.408 2.163 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CC)C[C@@H]1O ZINC001219702969 802369970 /nfs/dbraw/zinc/36/99/70/802369970.db2.gz OJXXGFRYYLEZSH-WJDZFGBRSA-N 0 3 314.857 2.283 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001219706523 802370060 /nfs/dbraw/zinc/37/00/60/802370060.db2.gz BKYYIVDWMCDWID-AISUJJHZSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001234403672 802371527 /nfs/dbraw/zinc/37/15/27/802371527.db2.gz XCDZYDWPTDBKIO-HUUCEWRRSA-N 0 3 304.438 2.115 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)CC ZINC001234490105 802393663 /nfs/dbraw/zinc/39/36/63/802393663.db2.gz OYVSTPMOMQPNBJ-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccnn1CCC ZINC001234554162 802413204 /nfs/dbraw/zinc/41/32/04/802413204.db2.gz GDLPKRDWOAULOV-HNNXBMFYSA-N 0 3 304.438 2.406 20 30 DEEDHN N#CCCCCNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220191296 802424063 /nfs/dbraw/zinc/42/40/63/802424063.db2.gz DBBHSGMTKAFJGA-CYBMUJFWSA-N 0 3 313.323 2.385 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 ZINC001220328570 802445645 /nfs/dbraw/zinc/44/56/45/802445645.db2.gz KXOFHYHTIODJDB-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(C2CCC2)C2CCC2)[C@@H](O)C1 ZINC001220367332 802449465 /nfs/dbraw/zinc/44/94/65/802449465.db2.gz UANSYTMISKAMSR-MSOLQXFVSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H](O)C1 ZINC001220398206 802454692 /nfs/dbraw/zinc/45/46/92/802454692.db2.gz XNGFPFGYHDFIJB-SJORKVTESA-N 0 3 300.402 2.071 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](O)C1 ZINC001220430234 802458555 /nfs/dbraw/zinc/45/85/55/802458555.db2.gz OAGZSOSQCQYIFP-SJORKVTESA-N 0 3 321.465 2.377 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CCCCC1 ZINC001220535084 802471870 /nfs/dbraw/zinc/47/18/70/802471870.db2.gz KKASROLPFKJWFQ-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCOc1ccccc1[C@@H](C)NC(=O)C(N)C(F)(F)F ZINC001220664009 802484485 /nfs/dbraw/zinc/48/44/85/802484485.db2.gz ULHKQAXKQDSGID-BXKDBHETSA-N 0 3 302.296 2.318 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001220831175 802502379 /nfs/dbraw/zinc/50/23/79/802502379.db2.gz RLXGYTARCCDJNH-CABCVRRESA-N 0 3 308.809 2.081 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001222072921 802637454 /nfs/dbraw/zinc/63/74/54/802637454.db2.gz MZBRONKYYFXXFL-NEPJUHHUSA-N 0 3 321.248 2.477 20 30 DEEDHN Cc1ccc(CN2CCC(CNC(=O)[C@H](C)C#N)CC2)c(C)n1 ZINC001222635915 802720219 /nfs/dbraw/zinc/72/02/19/802720219.db2.gz DMXVZOXOFHFLGK-CYBMUJFWSA-N 0 3 314.433 2.186 20 30 DEEDHN CCN1CCC[C@H](OCc2nc(-c3ccnc(C#N)c3)no2)C1 ZINC001222802100 802741610 /nfs/dbraw/zinc/74/16/10/802741610.db2.gz IJGHYUYGQRXQCF-AWEZNQCLSA-N 0 3 313.361 2.004 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223027770 802760040 /nfs/dbraw/zinc/76/00/40/802760040.db2.gz SJTTWYBDACOPTC-AWEZNQCLSA-N 0 3 322.371 2.094 20 30 DEEDHN Cc1cccnc1CN1CCC(CNC(=O)C#CC(C)C)CC1 ZINC001223097063 802765522 /nfs/dbraw/zinc/76/55/22/802765522.db2.gz UPMVUXMBNSNTBB-UHFFFAOYSA-N 0 3 313.445 2.378 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cccc3ncccc23)CC1 ZINC001223808277 802816770 /nfs/dbraw/zinc/81/67/70/802816770.db2.gz OCTLWSVECYDHMC-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001223863680 802818392 /nfs/dbraw/zinc/81/83/92/802818392.db2.gz CLYONACVQJBZAY-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(C(F)(F)F)CC2)CC1 ZINC001224643158 802888440 /nfs/dbraw/zinc/88/84/40/802888440.db2.gz CGHHNIVPBAOBTE-UHFFFAOYSA-N 0 3 302.340 2.180 20 30 DEEDHN C#CCN1CCC(CNC(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC001224713039 802896998 /nfs/dbraw/zinc/89/69/98/802896998.db2.gz NUZAECIACGBUAU-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001224825335 802907754 /nfs/dbraw/zinc/90/77/54/802907754.db2.gz KPNYHLMHQDZTGT-UHFFFAOYSA-N 0 3 323.440 2.480 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](c2cccnc2)C(C)C)CC1 ZINC001224981232 802924185 /nfs/dbraw/zinc/92/41/85/802924185.db2.gz VDETWKUTJGURHT-GOSISDBHSA-N 0 3 313.445 2.283 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCCn2cccc2)CC1 ZINC001225542356 802979826 /nfs/dbraw/zinc/97/98/26/802979826.db2.gz LBJOMCBKKMCVMD-UHFFFAOYSA-N 0 3 301.434 2.120 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226126378 803057666 /nfs/dbraw/zinc/05/76/66/803057666.db2.gz IRIKVGNILJZNHF-HUUCEWRRSA-N 0 3 303.431 2.074 20 30 DEEDHN CC(C)C#CC(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001227266123 803224131 /nfs/dbraw/zinc/22/41/31/803224131.db2.gz VXZDMADXPUJYTO-UHFFFAOYSA-N 0 3 314.429 2.305 20 30 DEEDHN CC(C)(C)C#CC(=O)NC1CCN(CCOCC2CCC2)CC1 ZINC001227280414 803226667 /nfs/dbraw/zinc/22/66/67/803226667.db2.gz FOCNQGIJDDWMGI-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001227298659 803229245 /nfs/dbraw/zinc/22/92/45/803229245.db2.gz BPLNCNPHMSUQEG-MRXNPFEDSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001227954483 803298332 /nfs/dbraw/zinc/29/83/32/803298332.db2.gz UVPWUBHVCGPXQS-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cncc(CC)c2)CC1 ZINC001228266516 803336570 /nfs/dbraw/zinc/33/65/70/803336570.db2.gz VHHIENGABTXXAX-UHFFFAOYSA-N 0 3 317.433 2.041 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228750150 803406223 /nfs/dbraw/zinc/40/62/23/803406223.db2.gz WNFGQLKBUSJBML-GJZGRUSLSA-N 0 3 318.465 2.001 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cc(F)cc(F)c1 ZINC001330763281 1149286005 /nfs/dbraw/zinc/28/60/05/1149286005.db2.gz YFYCSPCZXLPVFR-UHFFFAOYSA-N 0 3 309.360 2.061 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCNCc1ccc(C#N)cc1F ZINC001330771214 1149288972 /nfs/dbraw/zinc/28/89/72/1149288972.db2.gz YXFMNSUHSUWRDB-OLZOCXBDSA-N 0 3 316.380 2.232 20 30 DEEDHN C[C@@H](CCCN[C@@H](C)c1cnccn1)NC(=O)C#CC(C)(C)C ZINC001330814322 1149303689 /nfs/dbraw/zinc/30/36/89/1149303689.db2.gz VTZZAHAYJXJDLS-GJZGRUSLSA-N 0 3 316.449 2.462 20 30 DEEDHN CS[C@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418207881 1167489190 /nfs/dbraw/zinc/48/91/90/1167489190.db2.gz GKDURQSYMGZSTM-VXGBXAGGSA-N 0 3 323.437 2.433 20 30 DEEDHN COc1cccc2c1OCCC[C@@H]2NC(=O)[C@@H](N)CCCC#N ZINC001330968449 1149349319 /nfs/dbraw/zinc/34/93/19/1149349319.db2.gz CSYDQKDKLMGHRW-KBPBESRZSA-N 0 3 317.389 2.046 20 30 DEEDHN Cc1nc(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)co1 ZINC001331427169 1149441597 /nfs/dbraw/zinc/44/15/97/1149441597.db2.gz NLKSGRNMWMLLMN-AWEZNQCLSA-N 0 3 311.385 2.085 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001335262814 1150390840 /nfs/dbraw/zinc/39/08/40/1150390840.db2.gz IHXQLVIDAMWPIK-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2cnc(C)nc2)cc1 ZINC001331516523 1149500032 /nfs/dbraw/zinc/50/00/32/1149500032.db2.gz ANZPCQHACOTQGR-AWEZNQCLSA-N 0 3 322.412 2.017 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCC(=O)N(CC)C1CC1 ZINC001331516724 1149500638 /nfs/dbraw/zinc/50/06/38/1149500638.db2.gz CBBFLDSPCZEZJD-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN CSc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1C#N ZINC001419629097 1168707645 /nfs/dbraw/zinc/70/76/45/1168707645.db2.gz SUIWCPGYTBGUKR-GFCCVEGCSA-N 0 3 303.431 2.238 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](C)NC/C=C\Cl ZINC001331584332 1149545975 /nfs/dbraw/zinc/54/59/75/1149545975.db2.gz KPNYJIYQCXBCIN-YNCKKYQJSA-N 0 3 300.830 2.157 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001331646030 1149574344 /nfs/dbraw/zinc/57/43/44/1149574344.db2.gz FQKGBNUBUGRWKN-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H]1CCC=CCCC1)C2 ZINC001343057055 1150668148 /nfs/dbraw/zinc/66/81/48/1150668148.db2.gz ZLKLCIFHVVBFOC-JBCIKUTRSA-N 0 3 301.434 2.378 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H]1CCC=CCCC1)C2 ZINC001343057051 1150668034 /nfs/dbraw/zinc/66/80/34/1150668034.db2.gz ZLKLCIFHVVBFOC-CTMQZQKCSA-N 0 3 301.434 2.378 20 30 DEEDHN C#Cc1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001573291350 946917574 /nfs/dbraw/zinc/91/75/74/946917574.db2.gz ZPZHHISBTYMDOD-GOSISDBHSA-N 0 3 315.380 2.105 20 30 DEEDHN C#Cc1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001573291350 946917582 /nfs/dbraw/zinc/91/75/82/946917582.db2.gz ZPZHHISBTYMDOD-GOSISDBHSA-N 0 3 315.380 2.105 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cnccc1C(F)(F)F ZINC001344092023 1150796530 /nfs/dbraw/zinc/79/65/30/1150796530.db2.gz HAZDGDZSTMPVEL-GFCCVEGCSA-N 0 3 301.312 2.400 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CO)NCc1ccccc1C ZINC001331787775 1149683152 /nfs/dbraw/zinc/68/31/52/1149683152.db2.gz LTNCCWUZRSQEGO-AEFFLSMTSA-N 0 3 304.434 2.164 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001403846294 1163248646 /nfs/dbraw/zinc/24/86/46/1163248646.db2.gz DWIAIVQSPSLVFP-GFCCVEGCSA-N 0 3 310.829 2.020 20 30 DEEDHN Cc1cccc(C)c1OC[C@H](O)CNCC#C[C@H]1CCCCO1 ZINC001346379011 1150978046 /nfs/dbraw/zinc/97/80/46/1150978046.db2.gz TWCIIBIMPXCCAC-QZTJIDSGSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)Nc1ccnn1CCN(C)C ZINC001346499207 1150996041 /nfs/dbraw/zinc/99/60/41/1150996041.db2.gz DBDAEDPWASRZRN-CQSZACIVSA-N 0 3 305.426 2.407 20 30 DEEDHN C=CCCC[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C(=O)OC ZINC001522743738 1069451716 /nfs/dbraw/zinc/45/17/16/1069451716.db2.gz HWNPVFNOMOVUIH-CVEARBPZSA-N 0 3 316.401 2.235 20 30 DEEDHN C=CCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001328468593 1148800530 /nfs/dbraw/zinc/80/05/30/1148800530.db2.gz NLTWTRYQROIQEZ-QZTJIDSGSA-N 0 3 315.461 2.228 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)[C@@H]2CC23CCC3)CC1 ZINC001328498937 1148802606 /nfs/dbraw/zinc/80/26/06/1148802606.db2.gz BDMRMSXKEZOFJO-KRWDZBQOSA-N 0 3 319.493 2.267 20 30 DEEDHN C#CCN1CCC[C@H]([NH2+][C@@H](CC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001602721281 1069737386 /nfs/dbraw/zinc/73/73/86/1069737386.db2.gz COOYEZOCSGBIMB-IRXDYDNUSA-N 0 3 324.432 2.005 20 30 DEEDHN C#CCN1CCC[C@H]([NH2+][C@@H](CC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001602721281 1069737390 /nfs/dbraw/zinc/73/73/90/1069737390.db2.gz COOYEZOCSGBIMB-IRXDYDNUSA-N 0 3 324.432 2.005 20 30 DEEDHN C=CC[N@H+](Cc1ccc(C)c(-c2nn[n-]n2)c1)[C@H](C)COC ZINC001602851884 1069779437 /nfs/dbraw/zinc/77/94/37/1069779437.db2.gz AYMNPDZJKYQMKY-CYBMUJFWSA-N 0 3 301.394 2.198 20 30 DEEDHN C=CC[N@@H+](Cc1ccc(C)c(-c2nn[n-]n2)c1)[C@H](C)COC ZINC001602851884 1069779447 /nfs/dbraw/zinc/77/94/47/1069779447.db2.gz AYMNPDZJKYQMKY-CYBMUJFWSA-N 0 3 301.394 2.198 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)C[C@H](C)C#N ZINC001524380829 1069931575 /nfs/dbraw/zinc/93/15/75/1069931575.db2.gz XNBGBIHIILMRKF-CABCVRRESA-N 0 3 316.453 2.259 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCN(CC)C(=O)CN1CCC[C@@H]1C ZINC001528873477 1070779039 /nfs/dbraw/zinc/77/90/39/1070779039.db2.gz RFLKIFRRNVBHQJ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cncn2C)CCCCC1 ZINC001369056847 1148837339 /nfs/dbraw/zinc/83/73/39/1148837339.db2.gz MZGMSJHMDZTXCY-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)NC(=O)CN(CC)CC)CC1 ZINC001531460782 1071508921 /nfs/dbraw/zinc/50/89/21/1071508921.db2.gz FMQHHVMHKFAHCV-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c[nH]1 ZINC001451869213 1056949910 /nfs/dbraw/zinc/94/99/10/1056949910.db2.gz FWMDTNPIMNYRRW-QAPCUYQASA-N 0 3 320.396 2.233 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2c(C)noc2Cl)C1 ZINC001500268901 1058653631 /nfs/dbraw/zinc/65/36/31/1058653631.db2.gz NZQRBHHJQWMNCS-OAHLLOKOSA-N 0 3 311.813 2.336 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001500293359 1058668045 /nfs/dbraw/zinc/66/80/45/1058668045.db2.gz UMJIIKYBJOCBKX-UGSOOPFHSA-N 0 3 318.465 2.362 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001500294591 1058671482 /nfs/dbraw/zinc/67/14/82/1058671482.db2.gz AKLRODGVHHGBBR-IEBWSBKVSA-N 0 3 314.429 2.368 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@](C)(CN[C@H](C)c2cnccn2)C1 ZINC001500345243 1058710580 /nfs/dbraw/zinc/71/05/80/1058710580.db2.gz CZOZARCMKHWSDQ-QAPCUYQASA-N 0 3 314.433 2.025 20 30 DEEDHN C#C[C@@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001462295325 1058794724 /nfs/dbraw/zinc/79/47/24/1058794724.db2.gz KCQJKWAJLCCXKV-ZIAGYGMSSA-N 0 3 310.438 2.260 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001500505203 1058865083 /nfs/dbraw/zinc/86/50/83/1058865083.db2.gz KYBFDPPHISZUER-IBGZPJMESA-N 0 3 324.428 2.418 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NCc2cnns2)C1 ZINC001501050709 1059234271 /nfs/dbraw/zinc/23/42/71/1059234271.db2.gz MUTXITOEAYWEFP-STQMWFEESA-N 0 3 322.478 2.467 20 30 DEEDHN COCC#CCNCCN(Cc1ccccc1)C(=O)C(C)(C)F ZINC001501191964 1059362624 /nfs/dbraw/zinc/36/26/24/1059362624.db2.gz NJHPZADHLPESGU-UHFFFAOYSA-N 0 3 320.408 2.003 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3c(C)onc3CC)C[C@H]2C1 ZINC001501208737 1059376059 /nfs/dbraw/zinc/37/60/59/1059376059.db2.gz JTTWVDUQVQGDNY-GASCZTMLSA-N 0 3 317.433 2.402 20 30 DEEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2C[C@@H]2C#N)cc1 ZINC001466171834 1059432970 /nfs/dbraw/zinc/43/29/70/1059432970.db2.gz ZCPKQZCGLWXWQG-OIISXLGYSA-N 0 3 313.401 2.108 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001467728883 1059694234 /nfs/dbraw/zinc/69/42/34/1059694234.db2.gz UIJJMCADDODCBX-UHFFFAOYSA-N 0 3 323.368 2.243 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001467727986 1059695182 /nfs/dbraw/zinc/69/51/82/1059695182.db2.gz YTKYEVZSPUKBFT-CLFYSBASSA-N 0 3 304.390 2.077 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](CC)CC2CCCC2)CCO1 ZINC001502079119 1059913595 /nfs/dbraw/zinc/91/35/95/1059913595.db2.gz KPDWQPFFGJDOSN-ZWKOTPCHSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC1(CC(=O)N2CCO[C@H](CNCCF)C2)CCCCC1 ZINC001502080808 1059913876 /nfs/dbraw/zinc/91/38/76/1059913876.db2.gz FAVMGFAOAZYZIZ-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001369169505 1148859832 /nfs/dbraw/zinc/85/98/32/1148859832.db2.gz COIRZMDWHMVQSA-XNRPHZJLSA-N 0 3 320.820 2.227 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)CCCC3CC3)C2)CC1 ZINC001502101964 1059931100 /nfs/dbraw/zinc/93/11/00/1059931100.db2.gz MGFMZYIUBJHBFV-SFHVURJKSA-N 0 3 319.493 2.361 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1=CCCC1)C2 ZINC001502540575 1060171537 /nfs/dbraw/zinc/17/15/37/1060171537.db2.gz DUQFNYYBHLOFNW-LJQANCHMSA-N 0 3 316.445 2.061 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1Cl)N(C)C(=O)[C@@H](C)C#N ZINC001496028364 1060180996 /nfs/dbraw/zinc/18/09/96/1060180996.db2.gz PEKRSLROQNIRIZ-UONOGXRCSA-N 0 3 317.820 2.288 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001502595073 1060190667 /nfs/dbraw/zinc/19/06/67/1060190667.db2.gz 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/nfs/dbraw/zinc/54/37/21/1060543721.db2.gz GZOJOIOZVSMMLJ-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001505416836 1060554532 /nfs/dbraw/zinc/55/45/32/1060554532.db2.gz ZDKGVXQTQQFVFW-FSPWUOQZSA-N 0 3 324.428 2.146 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001505435260 1060591623 /nfs/dbraw/zinc/59/16/23/1060591623.db2.gz DYSDIFZJSXOLAO-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C1CCC1 ZINC001505543753 1060690868 /nfs/dbraw/zinc/69/08/68/1060690868.db2.gz CJNZXLUYSYYLGC-KGLIPLIRSA-N 0 3 302.393 2.460 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CC(F)(F)F ZINC001505568911 1060720337 /nfs/dbraw/zinc/72/03/37/1060720337.db2.gz BEHJOPHHWOUYHD-STQMWFEESA-N 0 3 312.335 2.473 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(C(C)C)n2)C1 ZINC001505685903 1060864310 /nfs/dbraw/zinc/86/43/10/1060864310.db2.gz JSIDAAUZNKICNB-CHWSQXEVSA-N 0 3 319.453 2.267 20 30 DEEDHN Cc1ncc(CNC2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)o1 ZINC001505777610 1060955761 /nfs/dbraw/zinc/95/57/61/1060955761.db2.gz ZRBBPCMYJRNGKS-XGNXJENSSA-N 0 3 304.394 2.002 20 30 DEEDHN C[C@@H](CNC(=O)c1cccn1C)N(C)Cc1cccc(C#N)c1 ZINC001505868547 1061058049 /nfs/dbraw/zinc/05/80/49/1061058049.db2.gz AJZGAOAIOJWITQ-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN C[C@H](CNC(=O)COC(C)(C)C)N(C)Cc1cccc(C#N)c1 ZINC001505901087 1061110623 /nfs/dbraw/zinc/11/06/23/1061110623.db2.gz DLEQFFZOKWLNNF-CQSZACIVSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(F)cc1NC(C)=O ZINC001505930288 1061147199 /nfs/dbraw/zinc/14/71/99/1061147199.db2.gz FKTNATHFFSCGEL-LLVKDONJSA-N 0 3 307.369 2.020 20 30 DEEDHN CCCCCCCC[C@H](CO)NC(=O)N[C@H]1CCCN(C)C1 ZINC001477560211 1061178751 /nfs/dbraw/zinc/17/87/51/1061178751.db2.gz DBIDCFNLQHKIAJ-JKSUJKDBSA-N 0 3 313.486 2.491 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)CCn2nc(C)cc2C)C1 ZINC001505996954 1061235049 /nfs/dbraw/zinc/23/50/49/1061235049.db2.gz 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ZINC001479823171 1061845045 /nfs/dbraw/zinc/84/50/45/1061845045.db2.gz UEHGUQKBWIKLDE-HIFRSBDPSA-N 0 3 323.462 2.205 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001479916557 1062048962 /nfs/dbraw/zinc/04/89/62/1062048962.db2.gz OFORMAGFTCNYDF-ROUUACIJSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)C1 ZINC001479965772 1062121861 /nfs/dbraw/zinc/12/18/61/1062121861.db2.gz NSBGIAWOCMYIJM-MRXNPFEDSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)Cc1ncccc1OC ZINC001506574165 1062152024 /nfs/dbraw/zinc/15/20/24/1062152024.db2.gz UNXSKPLJWDAJJW-HNNXBMFYSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001479991787 1062154798 /nfs/dbraw/zinc/15/47/98/1062154798.db2.gz FBFPTKYWVOCTJZ-UHFFFAOYSA-N 0 3 300.406 2.389 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2cccnc2OC)C1 ZINC001480143271 1062383079 /nfs/dbraw/zinc/38/30/79/1062383079.db2.gz VUPKZQFZBBWPDC-SHTZXODSSA-N 0 3 317.433 2.429 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001480157282 1062405511 /nfs/dbraw/zinc/40/55/11/1062405511.db2.gz ZGJHKMYMDNSMAH-MKBNYLNASA-N 0 3 323.462 2.491 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@]3(C)CCCc4ccccc43)[C@@H]2C1 ZINC001506821069 1062408515 /nfs/dbraw/zinc/40/85/15/1062408515.db2.gz MDNKOAAUSAMVBP-UGNRZPKXSA-N 0 3 322.452 2.208 20 30 DEEDHN CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001506824572 1062410685 /nfs/dbraw/zinc/41/06/85/1062410685.db2.gz DSSNGWDTRVZLPE-OSYLJGHBSA-N 0 3 311.429 2.398 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001506963133 1062604380 /nfs/dbraw/zinc/60/43/80/1062604380.db2.gz ZGUXDJVDLIGNSU-ZDUSSCGKSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001506963133 1062604392 /nfs/dbraw/zinc/60/43/92/1062604392.db2.gz ZGUXDJVDLIGNSU-ZDUSSCGKSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC001480339755 1062682004 /nfs/dbraw/zinc/68/20/04/1062682004.db2.gz XWMNLWVCYVCGTM-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCC(=O)NCCC ZINC001480359962 1062712754 /nfs/dbraw/zinc/71/27/54/1062712754.db2.gz SSMHSXAAAWLKIC-CRAIPNDOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001480375829 1062742679 /nfs/dbraw/zinc/74/26/79/1062742679.db2.gz KFVZMPNLDWPEAA-RDJZCZTQSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCC(=O)N1CCCCC1 ZINC001507113493 1062855364 /nfs/dbraw/zinc/85/53/64/1062855364.db2.gz OIABKTKMTSXUJF-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)C(C)(C)CCC)C1=O ZINC001507115788 1062861505 /nfs/dbraw/zinc/86/15/05/1062861505.db2.gz DMXWXGCDRHZJHA-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)C(C)(C)CCC)C1=O ZINC001507115790 1062862196 /nfs/dbraw/zinc/86/21/96/1062862196.db2.gz DMXWXGCDRHZJHA-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(N2CCCC2)c1 ZINC001507138105 1062901732 /nfs/dbraw/zinc/90/17/32/1062901732.db2.gz ZPVVNPALBMTHAJ-MRXNPFEDSA-N 0 3 313.445 2.360 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccco1)NCc1ccc(C#N)c(F)c1 ZINC001480560560 1063037608 /nfs/dbraw/zinc/03/76/08/1063037608.db2.gz VGTYTKLEBQSBID-GFCCVEGCSA-N 0 3 315.348 2.127 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H](C)NC/C=C/Cl ZINC001480570973 1063053391 /nfs/dbraw/zinc/05/33/91/1063053391.db2.gz XZMFRVUSULOUOA-HOSRBBHYSA-N 0 3 309.797 2.107 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001480615430 1063107045 /nfs/dbraw/zinc/10/70/45/1063107045.db2.gz ZAWZAVQJVVDSGF-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C(C)(C)c2ccccc2OC)C1 ZINC001480625597 1063119930 /nfs/dbraw/zinc/11/99/30/1063119930.db2.gz ZHNUCFRZRGBIQO-HNNXBMFYSA-N 0 3 314.429 2.187 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC001480741760 1063280763 /nfs/dbraw/zinc/28/07/63/1063280763.db2.gz XZGAACXWPCZOIE-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](O)CN(C)Cc1ccc(F)cc1C ZINC001507600857 1063358178 /nfs/dbraw/zinc/35/81/78/1063358178.db2.gz XFDIGKGYMURCCP-QGZVFWFLSA-N 0 3 322.424 2.351 20 30 DEEDHN O=C(C#CC1CC1)NCCC[C@H]1CCCN1Cc1ccns1 ZINC001480821641 1063395560 /nfs/dbraw/zinc/39/55/60/1063395560.db2.gz BGIYBSOBKLPYEY-HNNXBMFYSA-N 0 3 317.458 2.417 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)C(C)C ZINC001507824829 1063429613 /nfs/dbraw/zinc/42/96/13/1063429613.db2.gz AVBDNVIQPLTFNZ-WMLDXEAASA-N 0 3 318.465 2.430 20 30 DEEDHN C#CCCN(C)CCN(C(=O)C1CCC(OC)CC1)C(C)C ZINC001507831481 1063432788 /nfs/dbraw/zinc/43/27/88/1063432788.db2.gz OKWOWSXAHRYYOK-UHFFFAOYSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ccc2nonc2c1)C(C)C ZINC001507831457 1063435682 /nfs/dbraw/zinc/43/56/82/1063435682.db2.gz NVJZULSPUMRODU-UHFFFAOYSA-N 0 3 302.378 2.191 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)C2(C)CCCC2)CC1 ZINC001508081451 1063539992 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C=C[C@H](CC)CC(=O)N(C)CCN[C@H](C)C(=O)N1CCCCC1 ZINC001493664758 1063906146 /nfs/dbraw/zinc/90/61/46/1063906146.db2.gz VXVNEETUXYUUBG-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)CN(C)CCC)C1 ZINC001493974832 1064055267 /nfs/dbraw/zinc/05/52/67/1064055267.db2.gz UQKVAXATFUEVDA-OAHLLOKOSA-N 0 3 315.889 2.394 20 30 DEEDHN N#Cc1cc(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)c[nH]1 ZINC001494009200 1064078308 /nfs/dbraw/zinc/07/83/08/1064078308.db2.gz QQMFIYCAHZORBW-VCUZLRKMSA-N 0 3 306.797 2.081 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCN1C[C@H]1CCCCO1 ZINC001567366042 1064163684 /nfs/dbraw/zinc/16/36/84/1064163684.db2.gz YREKAROBAPKYIL-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCN1CCn1nc(C)cc1C ZINC001567366581 1064163791 /nfs/dbraw/zinc/16/37/91/1064163791.db2.gz KXJZMNSCPFSTJX-MRXNPFEDSA-N 0 3 304.438 2.047 20 30 DEEDHN C=CCOCC(=O)N1CCC(CN(C)Cc2cncs2)CC1 ZINC001494191208 1064165878 /nfs/dbraw/zinc/16/58/78/1064165878.db2.gz QLVMSHFBJCNUBF-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/65/79/57/1065657957.db2.gz KSRPYBJQCAHKHN-UHFFFAOYSA-N 0 3 316.445 2.234 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cnc(C)o1)C2 ZINC001569794148 1065722323 /nfs/dbraw/zinc/72/23/23/1065722323.db2.gz ARPIDTKBNDDUFT-JYJNAYRXSA-N 0 3 315.417 2.256 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)CC[C@H]21 ZINC001496863454 1065762536 /nfs/dbraw/zinc/76/25/36/1065762536.db2.gz OPJLQHYHEFUIDK-QZTJIDSGSA-N 0 3 318.461 2.305 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cncs1 ZINC001569868030 1065776558 /nfs/dbraw/zinc/77/65/58/1065776558.db2.gz HSAYGFLFGHZWMJ-UHFFFAOYSA-N 0 3 313.426 2.398 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccnn1C ZINC001570025239 1065887910 /nfs/dbraw/zinc/88/79/10/1065887910.db2.gz CIISMXNGJCYDNQ-UHFFFAOYSA-N 0 3 312.417 2.358 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CO[C@H](C)C1 ZINC001570026863 1065889356 /nfs/dbraw/zinc/88/93/56/1065889356.db2.gz MPBBWTXALKOTNB-CRAIPNDOSA-N 0 3 314.429 2.183 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cnccn2)cc1 ZINC001570030369 1065895127 /nfs/dbraw/zinc/89/51/27/1065895127.db2.gz SRRFAGHDJJAMCE-AWEZNQCLSA-N 0 3 308.385 2.081 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)Cn3ccnc3)cccc2C1 ZINC001570079058 1065917217 /nfs/dbraw/zinc/91/72/17/1065917217.db2.gz JOFHFZKPAPJODI-UHFFFAOYSA-N 0 3 324.428 2.134 20 30 DEEDHN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](NCC#Cc3ccccc3)C2)no1 ZINC001570332459 1066016541 /nfs/dbraw/zinc/01/65/41/1066016541.db2.gz KZTUJZWJNBOYQP-KDOFPFPSSA-N 0 3 323.396 2.085 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)CCOC)C(C)(C)C1 ZINC001570398119 1066052469 /nfs/dbraw/zinc/05/24/69/1066052469.db2.gz WBFWHKIXDOGLNR-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@H](C)C1 ZINC001570431392 1066061379 /nfs/dbraw/zinc/06/13/79/1066061379.db2.gz JRDDIDCVQYOXMB-CVEARBPZSA-N 0 3 317.433 2.062 20 30 DEEDHN Cc1ccncc1CN1CC[C@H](NC(=O)C#CC2CC2)C[C@H]1C ZINC001570434635 1066067565 /nfs/dbraw/zinc/06/75/65/1066067565.db2.gz MSCPEIYPVNVRSS-QAPCUYQASA-N 0 3 311.429 2.273 20 30 DEEDHN C[C@@H](CCNC(=O)C#CC1CC1)NCc1cc(C#N)ccc1F ZINC001570458962 1066081860 /nfs/dbraw/zinc/08/18/60/1066081860.db2.gz DCBIVPUTVXWUQJ-ZDUSSCGKSA-N 0 3 313.376 2.095 20 30 DEEDHN C=CCN1CCC(NC(=O)c2nc(CC)ncc2Cl)CC1 ZINC001628376376 1078296609 /nfs/dbraw/zinc/29/66/09/1078296609.db2.gz VNTVOKQQMKPQHF-UHFFFAOYSA-N 0 3 308.813 2.073 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001628445794 1078298077 /nfs/dbraw/zinc/29/80/77/1078298077.db2.gz MKTOENXKNBCAFG-YVMONPNESA-N 0 3 318.392 2.208 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001628445793 1078298260 /nfs/dbraw/zinc/29/82/60/1078298260.db2.gz MKTOENXKNBCAFG-VMPITWQZSA-N 0 3 318.392 2.208 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001497649367 1066209205 /nfs/dbraw/zinc/20/92/05/1066209205.db2.gz DPUBVLYCZKHVQP-IWAUEBOVSA-N 0 3 301.365 2.115 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H](OCC)c1ccccc1 ZINC001497762682 1066294078 /nfs/dbraw/zinc/29/40/78/1066294078.db2.gz ABGKIQHNBXNVNI-FVNWOWOISA-N 0 3 300.402 2.050 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1ccc(C(F)(F)F)s1 ZINC001497763857 1066295206 /nfs/dbraw/zinc/29/52/06/1066295206.db2.gz GMXKNDKLUXGTOU-ARJAWSKDSA-N 0 3 302.321 2.276 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccoc1 ZINC001497788547 1066312823 /nfs/dbraw/zinc/31/28/23/1066312823.db2.gz ILCBCEPXHTXISQ-LLVKDONJSA-N 0 3 301.321 2.198 20 30 DEEDHN CO[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001497794737 1066320558 /nfs/dbraw/zinc/32/05/58/1066320558.db2.gz RHOGSFGINRZZPA-KGLIPLIRSA-N 0 3 322.836 2.211 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CNCc1cccc2c1OCCO2 ZINC001497894537 1066398425 /nfs/dbraw/zinc/39/84/25/1066398425.db2.gz KNBPOUALHCXJMY-CQSZACIVSA-N 0 3 318.417 2.408 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C[C@H](C)C1CCCCC1 ZINC001497938454 1066421848 /nfs/dbraw/zinc/42/18/48/1066421848.db2.gz JGZQEFBISWOAES-JKSUJKDBSA-N 0 3 308.466 2.337 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001498015711 1066459696 /nfs/dbraw/zinc/45/96/96/1066459696.db2.gz MABWXUPOTBHMEH-QWRGUYRKSA-N 0 3 309.410 2.043 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)CNCc1ccc(Cl)s1 ZINC001498022276 1066464700 /nfs/dbraw/zinc/46/47/00/1066464700.db2.gz PZCZKBJCOCBKAS-JTQLQIEISA-N 0 3 302.827 2.198 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001368606735 1148521546 /nfs/dbraw/zinc/52/15/46/1148521546.db2.gz KVZVZNYMVMMYOA-NGFQHRJXSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CC1(F)CN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001633024127 1078395966 /nfs/dbraw/zinc/39/59/66/1078395966.db2.gz OQNSURSYBKWNBF-ZBFHGGJFSA-N 0 3 315.392 2.016 20 30 DEEDHN C[C@@H]1NCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC001576885151 1066712290 /nfs/dbraw/zinc/71/22/90/1066712290.db2.gz BDCXDTBIJSUNMH-RYUDHWBXSA-N 0 3 310.319 2.266 20 30 DEEDHN C[C@H]1c2ccc(Cl)n2CCN1C(=O)[C@@H](N)CCCCC#N ZINC001576915013 1066722039 /nfs/dbraw/zinc/72/20/39/1066722039.db2.gz RUKWJYXFNSOLSV-RYUDHWBXSA-N 0 3 308.813 2.456 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001499000584 1067013609 /nfs/dbraw/zinc/01/36/09/1067013609.db2.gz RBQNVHDWYNRERV-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(C1CCC1)C1CCC1 ZINC001635739262 1078457303 /nfs/dbraw/zinc/45/73/03/1078457303.db2.gz WTAUSCOWUKBAGS-UHFFFAOYSA-N 0 3 305.466 2.457 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)cc(=O)oc1C ZINC001499016128 1067028481 /nfs/dbraw/zinc/02/84/81/1067028481.db2.gz ZHCFKMZNQUPKMR-CQSZACIVSA-N 0 3 304.390 2.027 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1c(C)noc1Cl ZINC001499081653 1067077927 /nfs/dbraw/zinc/07/79/27/1067077927.db2.gz DXEZWAMYSXEJRD-GFCCVEGCSA-N 0 3 311.813 2.336 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@@H]1CNc2ccccc2[C@H]1O ZINC001578444999 1067103316 /nfs/dbraw/zinc/10/33/16/1067103316.db2.gz AZKLKVZXCLXFGI-CEXWTWQISA-N 0 3 323.396 2.051 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](CC)Oc1ccccc1F ZINC001266986290 1078482715 /nfs/dbraw/zinc/48/27/15/1078482715.db2.gz WMZQWCZREJDMTC-DZGCQCFKSA-N 0 3 306.381 2.101 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC001499325222 1067182545 /nfs/dbraw/zinc/18/25/45/1067182545.db2.gz MLSNGKCHBBYPJQ-FVQHAEBGSA-N 0 3 309.413 2.343 20 30 DEEDHN CC#CCNC1(CNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC001499339782 1067189480 /nfs/dbraw/zinc/18/94/80/1067189480.db2.gz LBZMQVKOLZXZNT-UHFFFAOYSA-N 0 3 312.200 2.264 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001671175237 1078493829 /nfs/dbraw/zinc/49/38/29/1078493829.db2.gz AQPWFIABYVQDEW-ZIAGYGMSSA-N 0 3 304.438 2.086 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001671175237 1078493832 /nfs/dbraw/zinc/49/38/32/1078493832.db2.gz AQPWFIABYVQDEW-ZIAGYGMSSA-N 0 3 304.438 2.086 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001578928006 1067202436 /nfs/dbraw/zinc/20/24/36/1067202436.db2.gz BYXNYABQQKKCEA-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc2nonc2c1 ZINC001483372424 1078489711 /nfs/dbraw/zinc/48/97/11/1078489711.db2.gz HLRCIEJDXYYAMB-GFCCVEGCSA-N 0 3 316.405 2.372 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)COCCC)C1 ZINC001499480938 1067234467 /nfs/dbraw/zinc/23/44/67/1067234467.db2.gz KJSLAAOCDWGJFF-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001267015999 1078503605 /nfs/dbraw/zinc/50/36/05/1078503605.db2.gz BSCCCZSCDKSIRK-AWEZNQCLSA-N 0 3 308.784 2.235 20 30 DEEDHN C=CCCC(=O)NCCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001499790989 1067334265 /nfs/dbraw/zinc/33/42/65/1067334265.db2.gz JKEARBJLQJVNRR-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1cccc(CC2CN(C(=O)C3CC4(C3)CNC[C@@H]4C#N)C2)c1 ZINC001579759385 1067418022 /nfs/dbraw/zinc/41/80/22/1067418022.db2.gz GGTFEGYURKDPJX-FDYSRKEFSA-N 0 3 323.440 2.135 20 30 DEEDHN Cc1ccccc1[C@]1(F)CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC001579795095 1067425490 /nfs/dbraw/zinc/42/54/90/1067425490.db2.gz IXMVPDMNYNSKMC-WBVHZDCISA-N 0 3 303.381 2.413 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001579852311 1067439485 /nfs/dbraw/zinc/43/94/85/1067439485.db2.gz UODONVGOTZNLKI-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCCO[C@H](c2ccccc2)C1 ZINC001580049584 1067482253 /nfs/dbraw/zinc/48/22/53/1067482253.db2.gz WPSJEBXPMJZPMY-IRXDYDNUSA-N 0 3 315.417 2.388 20 30 DEEDHN N[C@@H](CC1CC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001580122273 1067501048 /nfs/dbraw/zinc/50/10/48/1067501048.db2.gz QOTHTRNQLOUCAO-AWEZNQCLSA-N 0 3 310.319 2.301 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cn(C(C)C)nc2C)C1 ZINC001267113689 1078591987 /nfs/dbraw/zinc/59/19/87/1078591987.db2.gz QFUQSQRWLUNKKD-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN CC#CCN(C)C[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC001570535560 1067991826 /nfs/dbraw/zinc/99/18/26/1067991826.db2.gz AXLKRLQARYXFQP-OAHLLOKOSA-N 0 3 310.401 2.123 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1csc(COC)n1 ZINC001570549334 1068001915 /nfs/dbraw/zinc/00/19/15/1068001915.db2.gz WYQYLKXCVCBNBZ-GFCCVEGCSA-N 0 3 309.435 2.012 20 30 DEEDHN CC#CCCCC(=O)NC1CC(CNCc2cc(C)no2)C1 ZINC001570569832 1068011720 /nfs/dbraw/zinc/01/17/20/1068011720.db2.gz ZTTRERZYRJBTPX-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN C[C@@H](NC(=O)c1cccnc1)[C@H](C)NCC#Cc1ccccc1 ZINC001570584910 1068020545 /nfs/dbraw/zinc/02/05/45/1068020545.db2.gz RTYOACCFRBFEDC-JKSUJKDBSA-N 0 3 307.397 2.230 20 30 DEEDHN CCc1cc(C(=O)N[C@@H](C)[C@H](C)NCC#Cc2ccccc2)[nH]n1 ZINC001570590261 1068023287 /nfs/dbraw/zinc/02/32/87/1068023287.db2.gz NVKYZHZRROPJSU-GJZGRUSLSA-N 0 3 324.428 2.120 20 30 DEEDHN C=CCOCC(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001671625047 1078641757 /nfs/dbraw/zinc/64/17/57/1078641757.db2.gz GCMOZJZZMUMSSV-GOSISDBHSA-N 0 3 320.408 2.439 20 30 DEEDHN C=CCOCC(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001267189162 1078651548 /nfs/dbraw/zinc/65/15/48/1078651548.db2.gz RTPFICKMUYAOCU-INIZCTEOSA-N 0 3 306.381 2.064 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001570828044 1068131366 /nfs/dbraw/zinc/13/13/66/1068131366.db2.gz DJWCSJSYRUSPCN-INIZCTEOSA-N 0 3 317.433 2.218 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CN(C[C@@H]2CC(C)(C)CO2)CC1(C)C ZINC001570894904 1068152878 /nfs/dbraw/zinc/15/28/78/1068152878.db2.gz LIORPTQTYZJVCF-HOTGVXAUSA-N 0 3 320.477 2.288 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)CC1(C)C ZINC001570894906 1068152962 /nfs/dbraw/zinc/15/29/62/1068152962.db2.gz LIORPTQTYZJVCF-JKSUJKDBSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(C[C@H](C)O)CC2(C)C)CCCCC1 ZINC001570909984 1068157327 /nfs/dbraw/zinc/15/73/27/1068157327.db2.gz UTGDJFDTJAWGJG-JKSUJKDBSA-N 0 3 320.477 2.168 20 30 DEEDHN COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001570958933 1068166140 /nfs/dbraw/zinc/16/61/40/1068166140.db2.gz TYSXJAZKQGAIHL-XLAORIBOSA-N 0 3 320.477 2.003 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnc2n[nH]cc2c1 ZINC001571273795 1068207431 /nfs/dbraw/zinc/20/74/31/1068207431.db2.gz FOSZRFNDRJPDHA-NSHDSACASA-N 0 3 321.812 2.199 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001511153536 1068217781 /nfs/dbraw/zinc/21/77/81/1068217781.db2.gz HLWDNFQDFQKZLV-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H](N[C@@H](C)c1nncn1C)C(C)C ZINC001571350805 1068241006 /nfs/dbraw/zinc/24/10/06/1068241006.db2.gz VAKCCFBSZVCOFR-UONOGXRCSA-N 0 3 321.469 2.209 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001571398857 1068275220 /nfs/dbraw/zinc/27/52/20/1068275220.db2.gz FRBALTNFDTZSBZ-CYBMUJFWSA-N 0 3 313.401 2.250 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCCc2ccccc21 ZINC001571431580 1068290818 /nfs/dbraw/zinc/29/08/18/1068290818.db2.gz YGEIKGRYTQMTMD-FUHWJXTLSA-N 0 3 316.445 2.487 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OCC)cc2)C1 ZINC001571492122 1068347899 /nfs/dbraw/zinc/34/78/99/1068347899.db2.gz ZYCUCJVQAFCHLT-GDBMZVCRSA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)COCc2cccnc2)[C@@H]1C ZINC001571525936 1068395189 /nfs/dbraw/zinc/39/51/89/1068395189.db2.gz YZDAFGDSQZURFF-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](CNCc2cnns2)C1 ZINC001484369638 1079567734 /nfs/dbraw/zinc/56/77/34/1079567734.db2.gz QBSZVQXGWOCMLR-OLZOCXBDSA-N 0 3 322.478 2.325 20 30 DEEDHN CCC(=O)N1C[C@@H](NCC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC001571552507 1068416656 /nfs/dbraw/zinc/41/66/56/1068416656.db2.gz YKKHLFBGWUPGPN-MRXNPFEDSA-N 0 3 302.393 2.414 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)Cc1ccn(CC)n1)C(C)C ZINC001571612705 1068440134 /nfs/dbraw/zinc/44/01/34/1068440134.db2.gz ULVZJAMMKYQCSZ-UHFFFAOYSA-N 0 3 306.454 2.190 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](OC)[C@H](C)CC)CC2)CC1 ZINC001571668963 1068470052 /nfs/dbraw/zinc/47/00/52/1068470052.db2.gz JVMJYFJLMNYJMO-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001267295973 1078742962 /nfs/dbraw/zinc/74/29/62/1078742962.db2.gz DYLXISQOUVMPTE-MJSXRHKHSA-N 0 3 300.377 2.300 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NC(=O)CN(CC)CC)C(C)(C)C1 ZINC001571982719 1068604393 /nfs/dbraw/zinc/60/43/93/1068604393.db2.gz VZSRMWODUNTFHD-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1c(C)cnn1C ZINC001483673073 1078772464 /nfs/dbraw/zinc/77/24/64/1078772464.db2.gz ZUQQPLLMEORDGT-HNNXBMFYSA-N 0 3 304.438 2.279 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001572370322 1068736693 /nfs/dbraw/zinc/73/66/93/1068736693.db2.gz QRPKFKGIIQMBHM-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCN2CC[C@H]2CCCO2)CCC1 ZINC001483676999 1078776459 /nfs/dbraw/zinc/77/64/59/1078776459.db2.gz HLTCLBUWUKLWLC-HZPDHXFCSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCN[C@@H](CNC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC001267358172 1078790552 /nfs/dbraw/zinc/79/05/52/1078790552.db2.gz XRINGPJVMWDUQA-WBVHZDCISA-N 0 3 302.418 2.436 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1cc(C)nn1C)c1ccccc1 ZINC001267350812 1078784874 /nfs/dbraw/zinc/78/48/74/1078784874.db2.gz JSDQIECCRKLLMP-MRXNPFEDSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001572681068 1068879077 /nfs/dbraw/zinc/87/90/77/1068879077.db2.gz YXQKCLQMMBHPNN-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001663644612 1080795866 /nfs/dbraw/zinc/79/58/66/1080795866.db2.gz JWEQEYOVAZOBDD-JTQLQIEISA-N 0 3 312.282 2.036 20 30 DEEDHN C=CCN(CCOc1ccccc1C(=O)OC)[C@H](C)COC ZINC001643802767 1078814924 /nfs/dbraw/zinc/81/49/24/1078814924.db2.gz JRTGOXJMUIHQDD-CQSZACIVSA-N 0 3 307.390 2.375 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(OC)c(C#N)c1 ZINC001267415034 1078832903 /nfs/dbraw/zinc/83/29/03/1078832903.db2.gz XOMVQQMHUXMXFW-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H]1CCOC1 ZINC001267406256 1078836264 /nfs/dbraw/zinc/83/62/64/1078836264.db2.gz YGTVAOFKHLQSTP-ZACQAIPSSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CCNCc2ocnc2C)C1 ZINC001272408737 1078852684 /nfs/dbraw/zinc/85/26/84/1078852684.db2.gz FHUDRPWNUXIBIU-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN CC(C)SCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483716646 1078856123 /nfs/dbraw/zinc/85/61/23/1078856123.db2.gz DRQCFGTWFARBMO-UHFFFAOYSA-N 0 3 317.458 2.438 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)c1 ZINC001520723988 1069171674 /nfs/dbraw/zinc/17/16/74/1069171674.db2.gz BUZFNUPIMJAHGQ-QGZVFWFLSA-N 0 3 305.381 2.196 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001521000091 1069197713 /nfs/dbraw/zinc/19/77/13/1069197713.db2.gz WMUWPBLWSYIVMQ-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCOCC23CCCC3)CC1 ZINC001521221293 1069220815 /nfs/dbraw/zinc/22/08/15/1069220815.db2.gz CSZDQCMWVDSRJN-INIZCTEOSA-N 0 3 321.465 2.285 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](C)[C@@H](C)C2)c1 ZINC001644953165 1078870473 /nfs/dbraw/zinc/87/04/73/1078870473.db2.gz PUDPHNQUDGGROB-KGLIPLIRSA-N 0 3 313.401 2.294 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(-c2ccncc2)s1 ZINC001521478172 1069243903 /nfs/dbraw/zinc/24/39/03/1069243903.db2.gz VUTZWBSRDKOTOS-NSHDSACASA-N 0 3 303.391 2.222 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(-c2ccncc2)s1 ZINC001521478170 1069244295 /nfs/dbraw/zinc/24/42/95/1069244295.db2.gz VUTZWBSRDKOTOS-LLVKDONJSA-N 0 3 303.391 2.222 20 30 DEEDHN CC[C@@H](SC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483727588 1078888297 /nfs/dbraw/zinc/88/82/97/1078888297.db2.gz VGBHGSGKXMJMQY-OAHLLOKOSA-N 0 3 317.458 2.438 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001574908086 1069294457 /nfs/dbraw/zinc/29/44/57/1069294457.db2.gz CNQGWIMYUXCQCJ-NSHDSACASA-N 0 3 312.316 2.308 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1 ZINC001574908882 1069295048 /nfs/dbraw/zinc/29/50/48/1069295048.db2.gz ZNIKJQGIQKGAFO-OAHLLOKOSA-N 0 3 313.405 2.413 20 30 DEEDHN CC(C)COCCN(C)CCNC(=O)CC#Cc1ccccc1 ZINC001480949071 1078889023 /nfs/dbraw/zinc/88/90/23/1078889023.db2.gz CROHZLGSLBAIOH-UHFFFAOYSA-N 0 3 316.445 2.149 20 30 DEEDHN CC#CC[C@H](N)C(=O)N[C@H](CC)Cc1cn(C)c2ccccc12 ZINC001574963634 1069308896 /nfs/dbraw/zinc/30/88/96/1069308896.db2.gz WZHIAGZHLHBDNK-WBVHZDCISA-N 0 3 311.429 2.356 20 30 DEEDHN N#CCCCNC(=O)[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001272502127 1078931626 /nfs/dbraw/zinc/93/16/26/1078931626.db2.gz HHHGUAVBXWYTJM-LBPRGKRZSA-N 0 3 317.355 2.461 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)CCc1cccnc1)c1ccccc1 ZINC001267519716 1078948196 /nfs/dbraw/zinc/94/81/96/1078948196.db2.gz GXVUQYNFCAPQRB-IBGZPJMESA-N 0 3 321.424 2.485 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCn2cncc2C1)c1ccccc1 ZINC001267520569 1078951265 /nfs/dbraw/zinc/95/12/65/1078951265.db2.gz MJDFQTQPBQBMGO-SJLPKXTDSA-N 0 3 324.428 2.079 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](NCC=C)c2ccccc2)cn1 ZINC001267525338 1078955666 /nfs/dbraw/zinc/95/56/66/1078955666.db2.gz LGHLJNHOEHILSQ-GOSISDBHSA-N 0 3 305.381 2.310 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@@H]2OCC)c(F)c1 ZINC001279703491 1078964481 /nfs/dbraw/zinc/96/44/81/1078964481.db2.gz GOCLMRCMIUBGIO-HOCLYGCPSA-N 0 3 306.381 2.143 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cnn(C)c2C)c(F)c1 ZINC001279703943 1078965388 /nfs/dbraw/zinc/96/53/88/1078965388.db2.gz MYRZRQUHQXIHHD-UHFFFAOYSA-N 0 3 316.380 2.073 20 30 DEEDHN CCn1ncc(Cl)c1C(=O)C(C#N)c1ncc(Cl)n1C ZINC001649247704 1078972821 /nfs/dbraw/zinc/97/28/21/1078972821.db2.gz IFZATFUPQLVUDC-ZETCQYMHSA-N 0 3 312.160 2.433 20 30 DEEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(CCCO)C2)CC1 ZINC001267546663 1078977326 /nfs/dbraw/zinc/97/73/26/1078977326.db2.gz RPWWDENBAGECAJ-KRWDZBQOSA-N 0 3 308.466 2.428 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cn2nc(C)cc2C)C1 ZINC001368638476 1148541831 /nfs/dbraw/zinc/54/18/31/1148541831.db2.gz BTBYFFCOBZANGZ-LSDHHAIUSA-N 0 3 324.856 2.127 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)CCOc1ccc(F)cc1 ZINC001480974152 1079018771 /nfs/dbraw/zinc/01/87/71/1079018771.db2.gz SPZWFHULBFSYCR-UHFFFAOYSA-N 0 3 320.408 2.302 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(OC)cc2C)C1=O ZINC001272631450 1079023250 /nfs/dbraw/zinc/02/32/50/1079023250.db2.gz MNDLASIFPMMTGF-IBGZPJMESA-N 0 3 312.413 2.204 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@H]3CC[C@@H](F)C3)CC2)c1 ZINC001483762294 1079083299 /nfs/dbraw/zinc/08/32/99/1079083299.db2.gz IGERYDBPTOFEDS-JKSUJKDBSA-N 0 3 315.392 2.435 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2CCOc1ccccc1 ZINC001272666538 1079084191 /nfs/dbraw/zinc/08/41/91/1079084191.db2.gz DIUCYCBXOWIAAS-LJQANCHMSA-N 0 3 312.413 2.156 20 30 DEEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)COC)C1 ZINC001267596261 1079114456 /nfs/dbraw/zinc/11/44/56/1079114456.db2.gz ODALKTWOWDWCQS-GOSISDBHSA-N 0 3 314.429 2.149 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCC[C@H]1CNCCF ZINC001649438379 1079118876 /nfs/dbraw/zinc/11/88/76/1079118876.db2.gz BRUCBIWCYMJLEC-GOEBONIOSA-N 0 3 300.418 2.155 20 30 DEEDHN C=CCC1(C(=O)NCC[C@@H](C)NCc2ccn(C)n2)CCC1 ZINC001649441594 1079121487 /nfs/dbraw/zinc/12/14/87/1079121487.db2.gz DYRVWYYCUBDVMD-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001649457317 1079128330 /nfs/dbraw/zinc/12/83/30/1079128330.db2.gz KBHKKNJMJHEVBM-UHFFFAOYSA-N 0 3 322.493 2.489 20 30 DEEDHN CC#CCCCC(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC001649460614 1079129054 /nfs/dbraw/zinc/12/90/54/1079129054.db2.gz UNDPDEPIWLBGAD-UHFFFAOYSA-N 0 3 316.449 2.084 20 30 DEEDHN CC(=NO)[C@@H]1C[C@H](C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1(C)C ZINC001550368155 1073618366 /nfs/dbraw/zinc/61/83/66/1073618366.db2.gz LWASPEHVRAXOET-VBNZEHGJSA-N 0 3 321.465 2.442 20 30 DEEDHN N#CCSCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001483821707 1079133110 /nfs/dbraw/zinc/13/31/10/1079133110.db2.gz LBJMUFBCINTXPW-GASCZTMLSA-N 0 3 307.463 2.109 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001481104236 1079187252 /nfs/dbraw/zinc/18/72/52/1079187252.db2.gz ULSKCXWMKBFWOH-CQSZACIVSA-N 0 3 320.383 2.277 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)OCC1CC1)C2 ZINC001484019747 1079245625 /nfs/dbraw/zinc/24/56/25/1079245625.db2.gz JOMYRRMRKUGEGI-VQIMIIECSA-N 0 3 318.461 2.139 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]2(C)CCN(CCOCC=C)C2)cc1 ZINC001484053804 1079271108 /nfs/dbraw/zinc/27/11/08/1079271108.db2.gz IQNGPTPEAPLCIE-LJQANCHMSA-N 0 3 312.413 2.065 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1OCCc2ccccc21)C1CC1 ZINC001481179484 1079297171 /nfs/dbraw/zinc/29/71/71/1079297171.db2.gz FISREEUCAVTGCA-GOSISDBHSA-N 0 3 314.429 2.457 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC001484151712 1079332616 /nfs/dbraw/zinc/33/26/16/1079332616.db2.gz CUUGZRVCICIFOM-KXBFYZLASA-N 0 3 324.428 2.436 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C)nnc2CC)C1 ZINC001484163028 1079337226 /nfs/dbraw/zinc/33/72/26/1079337226.db2.gz GCUNVNIPAJYWDH-SFHVURJKSA-N 0 3 316.449 2.365 20 30 DEEDHN N#Cc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c(F)c1 ZINC001647589476 1074951828 /nfs/dbraw/zinc/95/18/28/1074951828.db2.gz DHHBTJRJXLMNNG-AWEZNQCLSA-N 0 3 301.365 2.398 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CSCc1ccccn1 ZINC001556466448 1075032121 /nfs/dbraw/zinc/03/21/21/1075032121.db2.gz YTKXRFFDCDQBGN-UHFFFAOYSA-N 0 3 307.463 2.281 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001484194028 1079352884 /nfs/dbraw/zinc/35/28/84/1079352884.db2.gz SYSGRKLLTOLHRM-KGLIPLIRSA-N 0 3 318.408 2.449 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C(C)(C)C1CCCC1 ZINC001566059108 1075160134 /nfs/dbraw/zinc/16/01/34/1075160134.db2.gz GJXCQRRBHRPBMH-UHFFFAOYSA-N 0 3 308.466 2.243 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2c(C)onc2CC)C1 ZINC001565841974 1075195525 /nfs/dbraw/zinc/19/55/25/1075195525.db2.gz NUDKMIOLEGAZPG-GASCZTMLSA-N 0 3 317.433 2.333 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCc1nc(C[NH2+]CCCC)cc(=O)[n-]1 ZINC001565991021 1075213143 /nfs/dbraw/zinc/21/31/43/1075213143.db2.gz YPBQSTAPUMQHEJ-UHFFFAOYSA-N 0 3 320.437 2.290 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCCOC)C(C)(C)[C@H]21 ZINC001565993403 1075213552 /nfs/dbraw/zinc/21/35/52/1075213552.db2.gz RXUYMFLVEUYKPW-NXHRZFHOSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccncc1C ZINC001566122023 1075231555 /nfs/dbraw/zinc/23/15/55/1075231555.db2.gz GQNZCAZRPPIKQE-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnn(CCC(C)C)c1C ZINC001566507691 1075265052 /nfs/dbraw/zinc/26/50/52/1075265052.db2.gz COJHEEWVQZVQSN-UHFFFAOYSA-N 0 3 318.465 2.313 20 30 DEEDHN CCO[C@@H](C)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001566541065 1075275186 /nfs/dbraw/zinc/27/51/86/1075275186.db2.gz JOICNQNRTXDIGO-KRWDZBQOSA-N 0 3 316.445 2.291 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H](NCc1cncc(C#N)c1)C1CC1 ZINC001650054247 1079381797 /nfs/dbraw/zinc/38/17/97/1079381797.db2.gz RRVVWEYARONJLJ-OAHLLOKOSA-N 0 3 316.405 2.346 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2ccccc2OC(C)C)C1 ZINC001267694772 1079383201 /nfs/dbraw/zinc/38/32/01/1079383201.db2.gz SHSKFFFVFZNCEC-UHFFFAOYSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc(OC(C)C)n1)C1CC1 ZINC001566599914 1075293327 /nfs/dbraw/zinc/29/33/27/1075293327.db2.gz IOVQLFQBKWXLQI-UHFFFAOYSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC001566600724 1075293920 /nfs/dbraw/zinc/29/39/20/1075293920.db2.gz KUVIHTXPQOZYIE-UHFFFAOYSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001566658048 1075306688 /nfs/dbraw/zinc/30/66/88/1075306688.db2.gz HPHYQBJQYJOTCV-INIZCTEOSA-N 0 3 313.401 2.061 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC12CCN(Cc1cnn(C)c1)CC2 ZINC001566688840 1075318681 /nfs/dbraw/zinc/31/86/81/1075318681.db2.gz BEPVGWRXQRCOQB-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCCOCC(=O)NCC1CN(Cc2ccccc2C)C1 ZINC001267701377 1079387559 /nfs/dbraw/zinc/38/75/59/1079387559.db2.gz QKPQIQIKRMAPNR-UHFFFAOYSA-N 0 3 302.418 2.136 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001566778934 1075342656 /nfs/dbraw/zinc/34/26/56/1075342656.db2.gz HBZAKJPIYPGZOF-MNNVXMFVSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](O)C1CCCCC1 ZINC001267704908 1079391395 /nfs/dbraw/zinc/39/13/95/1079391395.db2.gz IEXFOQMDPCZNKR-BZSNNMDCSA-N 0 3 318.461 2.016 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)C2CCOCC2)C1 ZINC001566872195 1075368664 /nfs/dbraw/zinc/36/86/64/1075368664.db2.gz TZDQXQJABGYUIQ-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCCCCC(=O)N1CCCC[C@@H]1CNCc1ccnn1C ZINC001566936931 1075392532 /nfs/dbraw/zinc/39/25/32/1075392532.db2.gz SDBOXISPHXPNTO-QGZVFWFLSA-N 0 3 316.449 2.084 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001566959566 1075401149 /nfs/dbraw/zinc/40/11/49/1075401149.db2.gz FKOXXFAAAHZDHA-FUHWJXTLSA-N 0 3 313.445 2.458 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001566965926 1075402070 /nfs/dbraw/zinc/40/20/70/1075402070.db2.gz OMFXIUZDHSEBIY-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001567024106 1075418574 /nfs/dbraw/zinc/41/85/74/1075418574.db2.gz HFSSMYMFUGKJHC-HFTRVMKXSA-N 0 3 314.429 2.306 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)NCC(=O)NC(CC)CC)CC1 ZINC001567050534 1075422773 /nfs/dbraw/zinc/42/27/73/1075422773.db2.gz BTGGNAHJEDCEPR-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001567052429 1075423827 /nfs/dbraw/zinc/42/38/27/1075423827.db2.gz DFVNXYFVWXBVKA-LSDHHAIUSA-N 0 3 320.408 2.063 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)CCC=C)cn1 ZINC001267716023 1079404152 /nfs/dbraw/zinc/40/41/52/1079404152.db2.gz KLPGUZXTZLVRJO-WBAXXEDZSA-N 0 3 309.413 2.316 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001567100176 1075431670 /nfs/dbraw/zinc/43/16/70/1075431670.db2.gz GLXZERLEHXDQCX-NSHDSACASA-N 0 3 314.307 2.434 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@@H](NCc2cc(C)n(C)n2)C1 ZINC001567163942 1075449267 /nfs/dbraw/zinc/44/92/67/1075449267.db2.gz IQBAPGUNKMMCTO-CVEARBPZSA-N 0 3 316.449 2.049 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001567200020 1075461725 /nfs/dbraw/zinc/46/17/25/1075461725.db2.gz PCJIZDUCPXNROA-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)n(C)c2C)C1 ZINC001567203843 1075463136 /nfs/dbraw/zinc/46/31/36/1075463136.db2.gz XURBJJXDTOSUPF-INIZCTEOSA-N 0 3 301.434 2.202 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC001267722236 1079409643 /nfs/dbraw/zinc/40/96/43/1079409643.db2.gz BEALRVJWRJOKNQ-INIZCTEOSA-N 0 3 301.434 2.409 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1nc(C)c[nH]1 ZINC001567262735 1075480240 /nfs/dbraw/zinc/48/02/40/1075480240.db2.gz KGGVTBHALUACHV-CYBMUJFWSA-N 0 3 310.829 2.445 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001267735372 1079426947 /nfs/dbraw/zinc/42/69/47/1079426947.db2.gz SINPQUBVAMXECQ-YOEHRIQHSA-N 0 3 302.393 2.218 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001267762470 1079465498 /nfs/dbraw/zinc/46/54/98/1079465498.db2.gz QNXSSWFAICUOKE-JKSUJKDBSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCOc2ccc(OC)cc2)C1 ZINC001267777137 1079487804 /nfs/dbraw/zinc/48/78/04/1079487804.db2.gz JOHRWFIEDNEQBV-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN N#Cc1ccc(C[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001581872157 1076106069 /nfs/dbraw/zinc/10/60/69/1076106069.db2.gz MWAJTNRULMLAQL-UHFFFAOYSA-N 0 3 322.347 2.210 20 30 DEEDHN N#Cc1ccc(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001581872157 1076106072 /nfs/dbraw/zinc/10/60/72/1076106072.db2.gz MWAJTNRULMLAQL-UHFFFAOYSA-N 0 3 322.347 2.210 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](CC)C1 ZINC001584535890 1076302524 /nfs/dbraw/zinc/30/25/24/1076302524.db2.gz POTPKQUTKBTUCL-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609051353 1077748895 /nfs/dbraw/zinc/74/88/95/1077748895.db2.gz WSXWOWVQBHXVLH-MAZHCROVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609051353 1077748897 /nfs/dbraw/zinc/74/88/97/1077748897.db2.gz WSXWOWVQBHXVLH-MAZHCROVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2cc(C)n(C)n2)C1 ZINC001484333526 1079546490 /nfs/dbraw/zinc/54/64/90/1079546490.db2.gz RMYHNZRXNYUXCQ-HUUCEWRRSA-N 0 3 304.438 2.021 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1OCC[C@H]1CC ZINC001484398545 1079586672 /nfs/dbraw/zinc/58/66/72/1079586672.db2.gz BTFNMSBCIJAUIN-MSOLQXFVSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccc(F)cn1 ZINC001484399605 1079587263 /nfs/dbraw/zinc/58/72/63/1079587263.db2.gz ORESMLZFLYONQE-UHFFFAOYSA-N 0 3 311.360 2.086 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(C)c1 ZINC001484459513 1079619349 /nfs/dbraw/zinc/61/93/49/1079619349.db2.gz WHFZYZQPEXLHDC-IAGOWNOFSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C1CC(C)(C(=O)N(CCO)CCNCc2ccsc2)C1 ZINC001484494053 1079629758 /nfs/dbraw/zinc/62/97/58/1079629758.db2.gz OXLBECBPQNIOBB-UHFFFAOYSA-N 0 3 308.447 2.015 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CCNCc2cnc(C)cn2)C1 ZINC001484534568 1079648114 /nfs/dbraw/zinc/64/81/14/1079648114.db2.gz ZJGDEDXPMUFTGT-OAHLLOKOSA-N 0 3 316.449 2.325 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CCC[C@H]2C)CCC1 ZINC001484635276 1079694519 /nfs/dbraw/zinc/69/45/19/1079694519.db2.gz BTVAGRZBWNUMTL-HZPDHXFCSA-N 0 3 306.450 2.091 20 30 DEEDHN Cc1cccnc1CNC1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC001484631456 1079699338 /nfs/dbraw/zinc/69/93/38/1079699338.db2.gz PJBVBOXWWZDMJB-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CCC1 ZINC001484658497 1079714544 /nfs/dbraw/zinc/71/45/44/1079714544.db2.gz DYNVOBMYWSPFIK-JKSUJKDBSA-N 0 3 306.450 2.089 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@H](C)CC(C)(C)C)CCO1 ZINC001484690807 1079724620 /nfs/dbraw/zinc/72/46/20/1079724620.db2.gz QWBVGKHOJJPOHO-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001484726490 1079749392 /nfs/dbraw/zinc/74/93/92/1079749392.db2.gz MWKNMFRBRLNDJD-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@H]1CCc2cncn2C1)c1ccccc1 ZINC001481365733 1079758947 /nfs/dbraw/zinc/75/89/47/1079758947.db2.gz RWSWBFPIZFPITA-FUHWJXTLSA-N 0 3 324.428 2.079 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)OC ZINC001481379674 1079768946 /nfs/dbraw/zinc/76/89/46/1079768946.db2.gz HMBUUUFAOPRDGH-OIISXLGYSA-N 0 3 306.450 2.465 20 30 DEEDHN C=CCCn1cc(CNCCCCC(=O)OC(C)(C)C)nn1 ZINC001651425617 1079811494 /nfs/dbraw/zinc/81/14/94/1079811494.db2.gz ZQSNQHBEPAYVQG-UHFFFAOYSA-N 0 3 308.426 2.456 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001484844560 1079823678 /nfs/dbraw/zinc/82/36/78/1079823678.db2.gz RIXMIOWFWOJZBI-LJQANCHMSA-N 0 3 320.477 2.169 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001484853108 1079825443 /nfs/dbraw/zinc/82/54/43/1079825443.db2.gz KOUNWEIXZQIQPW-IBGZPJMESA-N 0 3 322.493 2.415 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001484855746 1079825613 /nfs/dbraw/zinc/82/56/13/1079825613.db2.gz LLJLIQDEVANBBT-LJQANCHMSA-N 0 3 320.477 2.169 20 30 DEEDHN Cc1ncsc1CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1C ZINC001484889348 1079839388 /nfs/dbraw/zinc/83/93/88/1079839388.db2.gz WQYCLEXKZMOWEH-GXTWGEPZSA-N 0 3 319.474 2.438 20 30 DEEDHN COCCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001484968603 1079887055 /nfs/dbraw/zinc/88/70/55/1079887055.db2.gz JIKGPBVOZIEGIX-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC2(CC1)CN(CC1CC1)CCO2 ZINC001485008129 1079915804 /nfs/dbraw/zinc/91/58/04/1079915804.db2.gz GFWOCOPOYDVCRQ-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C2(CCC)CC2)CC1 ZINC001481471173 1079924345 /nfs/dbraw/zinc/92/43/45/1079924345.db2.gz ONSMWNGQWVHXKO-UHFFFAOYSA-N 0 3 307.482 2.219 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(OC)o1 ZINC001485045231 1079928867 /nfs/dbraw/zinc/92/88/67/1079928867.db2.gz PSFZXOCDSCNSCB-CRAIPNDOSA-N 0 3 324.380 2.297 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCC=C(Cl)Cl ZINC001485035640 1079930985 /nfs/dbraw/zinc/93/09/85/1079930985.db2.gz KWJQVYNUEVJKHJ-MNOVXSKESA-N 0 3 304.221 2.436 20 30 DEEDHN CC[C@@]1(C)CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC001653784476 1079939104 /nfs/dbraw/zinc/93/91/04/1079939104.db2.gz CVTWOLQREGHAOV-IBGZPJMESA-N 0 3 310.397 2.408 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@H](CN(C)CCF)C1)OCC ZINC001481487990 1079945708 /nfs/dbraw/zinc/94/57/08/1079945708.db2.gz NHIKZKYHHDHNCE-GJZGRUSLSA-N 0 3 300.418 2.108 20 30 DEEDHN Cc1cnc(CNCC2CC(NC(=O)C#CC(C)C)C2)s1 ZINC001485092202 1079975581 /nfs/dbraw/zinc/97/55/81/1079975581.db2.gz KSACXDKDWRVGDC-UHFFFAOYSA-N 0 3 305.447 2.095 20 30 DEEDHN CCCCOCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001485131695 1079989619 /nfs/dbraw/zinc/98/96/19/1079989619.db2.gz IBUIPAZBGDHVPV-IAGOWNOFSA-N 0 3 316.445 2.338 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NCc1cn(C)nc1C ZINC001485154997 1080020270 /nfs/dbraw/zinc/02/02/70/1080020270.db2.gz ZPWGFHCCUZEWSH-STQMWFEESA-N 0 3 306.454 2.314 20 30 DEEDHN CCn1nccc1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001485140013 1080024647 /nfs/dbraw/zinc/02/46/47/1080024647.db2.gz YGOZOGSZNPMAHJ-JKSUJKDBSA-N 0 3 324.428 2.051 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001656135103 1080052971 /nfs/dbraw/zinc/05/29/71/1080052971.db2.gz IQLDGSIPBQRYQY-GASCZTMLSA-N 0 3 317.433 2.431 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)N(C)C)CCCC1 ZINC001268102333 1080073655 /nfs/dbraw/zinc/07/36/55/1080073655.db2.gz SPQARKIGIVMMJY-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)C[C@H](CNCc1ccnn1C)NC(=O)C#CC(C)(C)C ZINC001268106544 1080077764 /nfs/dbraw/zinc/07/77/64/1080077764.db2.gz UZHHHVHSOCJHSZ-OAHLLOKOSA-N 0 3 318.465 2.090 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001485231846 1080078484 /nfs/dbraw/zinc/07/84/84/1080078484.db2.gz LDGNIHCCVYJJOZ-CABCVRRESA-N 0 3 323.868 2.354 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)[C@H]1CC12CCCC2 ZINC001268114803 1080084540 /nfs/dbraw/zinc/08/45/40/1080084540.db2.gz IYFNFYCKQTYEMD-IAGOWNOFSA-N 0 3 320.477 2.337 20 30 DEEDHN C=CCCC(=O)N[C@H](CN[C@H](C)C(=O)N(C)C)C1CCCCC1 ZINC001268118222 1080086563 /nfs/dbraw/zinc/08/65/63/1080086563.db2.gz MSHITAANBFVDSC-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H](CN[C@H](C)C(=O)N(C)C)C1CCCCC1 ZINC001268118227 1080087331 /nfs/dbraw/zinc/08/73/31/1080087331.db2.gz MSHITAANBFVDSC-ZBFHGGJFSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001656990988 1080145023 /nfs/dbraw/zinc/14/50/23/1080145023.db2.gz CMLFATJEYWEPPF-PMPSAXMXSA-N 0 3 304.438 2.064 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ncccc1C(F)(F)F ZINC001485369883 1080173230 /nfs/dbraw/zinc/17/32/30/1080173230.db2.gz YMIXPMLVGCDRSE-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C#CC1CC1)NCc1ccccc1F ZINC001268207488 1080191969 /nfs/dbraw/zinc/19/19/69/1080191969.db2.gz FMDWUKFNAMMWHG-QGZVFWFLSA-N 0 3 302.393 2.470 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001485385815 1080193536 /nfs/dbraw/zinc/19/35/36/1080193536.db2.gz QEYUBJGRKVEXEQ-CYBMUJFWSA-N 0 3 306.454 2.437 20 30 DEEDHN Cc1conc1CN[C@@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C ZINC001485430244 1080211761 /nfs/dbraw/zinc/21/17/61/1080211761.db2.gz ZXRXAWOWDPLTHW-OCCSQVGLSA-N 0 3 306.410 2.105 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCn2cccn2)CCCCC1 ZINC001485447034 1080219642 /nfs/dbraw/zinc/21/96/42/1080219642.db2.gz SHUXLVNKFNVILR-UHFFFAOYSA-N 0 3 324.856 2.434 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(N(C)C)cc1F ZINC001268239761 1080222508 /nfs/dbraw/zinc/22/25/08/1080222508.db2.gz VBDRZZZRZPVPCT-UHFFFAOYSA-N 0 3 307.413 2.472 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)C1CC2(CCC2)C1 ZINC001485468810 1080224934 /nfs/dbraw/zinc/22/49/34/1080224934.db2.gz OJLZDOIGVWUZNM-QGZVFWFLSA-N 0 3 320.477 2.481 20 30 DEEDHN CCCCCC(=O)N1CC[C@H]2[C@@H](CCN2CC#CCOC)C1 ZINC001268261503 1080239505 /nfs/dbraw/zinc/23/95/05/1080239505.db2.gz DLNHLOGWSRQFCZ-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCc1ccncc1 ZINC001485479693 1080243286 /nfs/dbraw/zinc/24/32/86/1080243286.db2.gz MTSKKIKPDKSDNA-GOSISDBHSA-N 0 3 313.445 2.398 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1CN(CC2=CCCCC2)C1 ZINC001485504629 1080265840 /nfs/dbraw/zinc/26/58/40/1080265840.db2.gz OKUPYCSVAFKAGE-KBXCAEBGSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001485520019 1080277051 /nfs/dbraw/zinc/27/70/51/1080277051.db2.gz YOWUGHCWRZAZOP-GJZGRUSLSA-N 0 3 304.438 2.155 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(COC)CCCCC2)C(C)(C)C1 ZINC001485572865 1080317232 /nfs/dbraw/zinc/31/72/32/1080317232.db2.gz YOOXQLODTIRMOP-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001481737689 1080411994 /nfs/dbraw/zinc/41/19/94/1080411994.db2.gz AYJXHBXCBHVMBO-MRXNPFEDSA-N 0 3 320.408 2.483 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001661034385 1080431837 /nfs/dbraw/zinc/43/18/37/1080431837.db2.gz DXDBCDLQVHCHFK-QZTJIDSGSA-N 0 3 315.461 2.446 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001481750130 1080438480 /nfs/dbraw/zinc/43/84/80/1080438480.db2.gz HAWPFPKCNCJIFI-HZPDHXFCSA-N 0 3 300.402 2.010 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cccc2)CC1 ZINC001661078942 1080439265 /nfs/dbraw/zinc/43/92/65/1080439265.db2.gz RSTRBIZVBIMVGW-DLBZAZTESA-N 0 3 313.445 2.433 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC001481755102 1080444761 /nfs/dbraw/zinc/44/47/61/1080444761.db2.gz WNGSWCDCIVMSLM-DLBZAZTESA-N 0 3 318.392 2.069 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ncn1C ZINC001661254406 1080464477 /nfs/dbraw/zinc/46/44/77/1080464477.db2.gz GBLRBIRBIXAEDR-CWRNSKLLSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCOc2ccccc2)C1 ZINC001661373589 1080475504 /nfs/dbraw/zinc/47/55/04/1080475504.db2.gz YLWHJLYZPADYDD-INIZCTEOSA-N 0 3 300.402 2.059 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001661412989 1080478758 /nfs/dbraw/zinc/47/87/58/1080478758.db2.gz AWOAYIXIFXGYJX-JOCQHMNTSA-N 0 3 321.446 2.082 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](N[C@H](C)c2cnccn2)C1 ZINC001661471627 1080484634 /nfs/dbraw/zinc/48/46/34/1080484634.db2.gz XBJMMGLLWBGHQJ-WBOJAVRRSA-N 0 3 302.422 2.377 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001661593307 1080497445 /nfs/dbraw/zinc/49/74/45/1080497445.db2.gz BZLCNQDAGJTYPH-GASCZTMLSA-N 0 3 304.340 2.115 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(OC)c(N)c2)C1=O ZINC001272730079 1080513022 /nfs/dbraw/zinc/51/30/22/1080513022.db2.gz ULLMJKCBIVTVMB-GOSISDBHSA-N 0 3 315.417 2.030 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCNCc1cnc(-c2ccccc2)s1 ZINC001124908827 1080520146 /nfs/dbraw/zinc/52/01/46/1080520146.db2.gz SPQGHKCULBIHLC-LBPRGKRZSA-N 0 3 314.414 2.176 20 30 DEEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1cn(C(C)C)nc1C ZINC001481811853 1080525013 /nfs/dbraw/zinc/52/50/13/1080525013.db2.gz WNAHSKSSTJMKHL-QGZVFWFLSA-N 0 3 316.449 2.170 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H]1CCC=CCCC1 ZINC001268458778 1080525581 /nfs/dbraw/zinc/52/55/81/1080525581.db2.gz SNHVDLYOPAOBIR-KRWDZBQOSA-N 0 3 306.450 2.211 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCc1c(C)n[nH]c1C ZINC001661891322 1080541861 /nfs/dbraw/zinc/54/18/61/1080541861.db2.gz XBUSZPJRNQVPNX-HNNXBMFYSA-N 0 3 304.438 2.116 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](C)OCc1ccccc1C ZINC001662292927 1080593254 /nfs/dbraw/zinc/59/32/54/1080593254.db2.gz LOMIQJOEYUCDNO-HOTGVXAUSA-N 0 3 302.418 2.018 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cc2cccc(OC)c2o1 ZINC001662319317 1080595738 /nfs/dbraw/zinc/59/57/38/1080595738.db2.gz HQLGZFQNZKINGA-LBPRGKRZSA-N 0 3 300.358 2.173 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1sccc1C(C)C ZINC001662424105 1080608177 /nfs/dbraw/zinc/60/81/77/1080608177.db2.gz JDVFWDUOZQJFHC-ZDUSSCGKSA-N 0 3 308.447 2.229 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(CNCC(=C)Cl)C1CC1 ZINC001481942004 1080632894 /nfs/dbraw/zinc/63/28/94/1080632894.db2.gz FBNURFWIOHVILU-IJEWVQPXSA-N 0 3 312.841 2.205 20 30 DEEDHN CC(C)N(C)CC(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107234283 1080688254 /nfs/dbraw/zinc/68/82/54/1080688254.db2.gz XSXCJEXRHYYBOE-PLNGDYQASA-N 0 3 318.396 2.122 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001663171227 1080714551 /nfs/dbraw/zinc/71/45/51/1080714551.db2.gz KRMLSFSSOUQIFN-SUMWQHHRSA-N 0 3 308.397 2.262 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C)CC ZINC001482053303 1080754595 /nfs/dbraw/zinc/75/45/95/1080754595.db2.gz UHRXOYRSIFSVBN-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)COc1ccc(C(C)C)cc1 ZINC001268562880 1080761545 /nfs/dbraw/zinc/76/15/45/1080761545.db2.gz ABJNEOTUNGQIHH-SREVYHEPSA-N 0 3 314.429 2.474 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](CCC(C)C)NC(C)=O ZINC001663554107 1080775255 /nfs/dbraw/zinc/77/52/55/1080775255.db2.gz YZOMOSVYYLYBQO-IAGOWNOFSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCOc2ccc(C)cc2C)C1 ZINC001663593932 1080784386 /nfs/dbraw/zinc/78/43/86/1080784386.db2.gz YFTFORRXNFITKB-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN C[C@H](C(=O)NC[C@@H](C)CNCc1ccccc1C#N)n1cccc1 ZINC001482089846 1080794520 /nfs/dbraw/zinc/79/45/20/1080794520.db2.gz MVAWTGDQMVHBBX-JKSUJKDBSA-N 0 3 324.428 2.463 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001663639678 1080795779 /nfs/dbraw/zinc/79/57/79/1080795779.db2.gz VHEBWOLWKPOGAR-QGZVFWFLSA-N 0 3 310.441 2.406 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001663644613 1080796432 /nfs/dbraw/zinc/79/64/32/1080796432.db2.gz JWEQEYOVAZOBDD-SNVBAGLBSA-N 0 3 312.282 2.036 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(NC(C)=O)ccc1C)C1CC1 ZINC001663782286 1080815186 /nfs/dbraw/zinc/81/51/86/1080815186.db2.gz RTZWDYHEKPJYPT-UHFFFAOYSA-N 0 3 315.417 2.334 20 30 DEEDHN C=CCN(CCNC(=O)c1cc2ccccc2oc1=O)C1CC1 ZINC001663772868 1080815790 /nfs/dbraw/zinc/81/57/90/1080815790.db2.gz FIFTXJHBQIXGSI-UHFFFAOYSA-N 0 3 312.369 2.173 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001268624556 1080901320 /nfs/dbraw/zinc/90/13/20/1080901320.db2.gz DKAFGNBKNSFUFF-IHWYPQMZSA-N 0 3 308.385 2.271 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC001664578498 1080927827 /nfs/dbraw/zinc/92/78/27/1080927827.db2.gz OLXLAJCVANIYND-SOUVJXGZSA-N 0 3 306.356 2.358 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1ccc(C)nn1)c1ccccc1 ZINC001664578970 1080927840 /nfs/dbraw/zinc/92/78/40/1080927840.db2.gz VSNBNNCZIMXLLB-QGZVFWFLSA-N 0 3 310.401 2.422 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](NC[C@H](C)O)c1ccccc1 ZINC001664587727 1080929513 /nfs/dbraw/zinc/92/95/13/1080929513.db2.gz GISHRBBNIRWEDJ-DOTOQJQBSA-N 0 3 302.418 2.008 20 30 DEEDHN Cc1ccoc1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268679101 1080930026 /nfs/dbraw/zinc/93/00/26/1080930026.db2.gz UINURQKBSZDSEF-AWEZNQCLSA-N 0 3 314.360 2.487 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001664830535 1080967439 /nfs/dbraw/zinc/96/74/39/1080967439.db2.gz VMBZCTZATBWVPY-HOTGVXAUSA-N 0 3 318.465 2.303 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C)nc1OCCC ZINC001268754307 1080969287 /nfs/dbraw/zinc/96/92/87/1080969287.db2.gz YQFSVENOMBLZAB-CQSZACIVSA-N 0 3 305.422 2.415 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCc2ccsc2)C1 ZINC001664997369 1080981858 /nfs/dbraw/zinc/98/18/58/1080981858.db2.gz SLWFLRTWQYBAJE-MRXNPFEDSA-N 0 3 322.474 2.464 20 30 DEEDHN C#C[C@H](CO)NC[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001665359865 1081018658 /nfs/dbraw/zinc/01/86/58/1081018658.db2.gz UHBHRJGAUZYZSE-ZIAGYGMSSA-N 0 3 312.454 2.290 20 30 DEEDHN C=CC[C@H](C)C(=O)N1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001268968099 1081068506 /nfs/dbraw/zinc/06/85/06/1081068506.db2.gz JXJAUNWQFVWZKN-YJBOKZPZSA-N 0 3 316.449 2.436 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001665738652 1081074955 /nfs/dbraw/zinc/07/49/55/1081074955.db2.gz WZRUWXYFARIOIV-XJKSGUPXSA-N 0 3 317.433 2.341 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)NCC=C(Cl)Cl ZINC001665850523 1081090708 /nfs/dbraw/zinc/09/07/08/1081090708.db2.gz WRUWBWWKUNYYDU-TUAOUCFPSA-N 0 3 321.248 2.381 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCOCc2ccccc2)C1 ZINC001269092243 1081114116 /nfs/dbraw/zinc/11/41/16/1081114116.db2.gz USOJOJKHSIYKIU-KRWDZBQOSA-N 0 3 302.418 2.360 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnn(CC)n2)C1 ZINC001269126706 1081129574 /nfs/dbraw/zinc/12/95/74/1081129574.db2.gz YNVSSLUNLPVHHE-CQSZACIVSA-N 0 3 307.442 2.073 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001269212187 1081167176 /nfs/dbraw/zinc/16/71/76/1081167176.db2.gz ZRNXAHURUPWBNT-SJLPKXTDSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001269221680 1081172740 /nfs/dbraw/zinc/17/27/40/1081172740.db2.gz BGSBMBFDNHUWJG-HNNXBMFYSA-N 0 3 300.406 2.437 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001269275514 1081193050 /nfs/dbraw/zinc/19/30/50/1081193050.db2.gz SMWZYCSLFDCGIA-BQFCYCMXSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001666907889 1081193138 /nfs/dbraw/zinc/19/31/38/1081193138.db2.gz LVNBBKVDFHDISL-CYBMUJFWSA-N 0 3 321.469 2.467 20 30 DEEDHN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC000949837929 1081212592 /nfs/dbraw/zinc/21/25/92/1081212592.db2.gz UJVNGZMTRRNDLR-GOEBONIOSA-N 0 3 316.449 2.186 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001279120138 1081224663 /nfs/dbraw/zinc/22/46/63/1081224663.db2.gz OIPSLYPSDIIDHO-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN Cc1nocc1CNCC[C@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001667237798 1081229300 /nfs/dbraw/zinc/22/93/00/1081229300.db2.gz FNNWXUXPFLSCEO-IUODEOHRSA-N 0 3 304.394 2.004 20 30 DEEDHN C#CCCCCC(=O)NCC1(NCc2cnn(C)c2)CCCC1 ZINC001482216395 1081234652 /nfs/dbraw/zinc/23/46/52/1081234652.db2.gz HIDZGYDKODIMPQ-UHFFFAOYSA-N 0 3 316.449 2.132 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]([C@H](C)NCc2cnns2)C1 ZINC001667319672 1081236434 /nfs/dbraw/zinc/23/64/34/1081236434.db2.gz LILBCTGIHNFWTQ-QWHCGFSZSA-N 0 3 308.451 2.221 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001269411725 1081242512 /nfs/dbraw/zinc/24/25/12/1081242512.db2.gz QTYIIXWXTIRXSW-CYBMUJFWSA-N 0 3 320.820 2.117 20 30 DEEDHN CC(C)[C@@H](CNC(=O)c1ccncc1)NCC#Cc1ccccc1 ZINC001667431632 1081251427 /nfs/dbraw/zinc/25/14/27/1081251427.db2.gz UAFVFFOJVMZANY-LJQANCHMSA-N 0 3 321.424 2.477 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001667546208 1081262130 /nfs/dbraw/zinc/26/21/30/1081262130.db2.gz UXQPVASFPBXGDR-KRWDZBQOSA-N 0 3 320.408 2.406 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(NCc2n[nH]c(C)n2)CCCC1 ZINC001482228296 1081276765 /nfs/dbraw/zinc/27/67/65/1081276765.db2.gz DVEWZXPHASGSJQ-AWEZNQCLSA-N 0 3 319.453 2.234 20 30 DEEDHN C=CCOCC[NH2+]CC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001269529050 1081279627 /nfs/dbraw/zinc/27/96/27/1081279627.db2.gz OSZCPCGOUGSZFF-UHFFFAOYSA-N 0 3 318.417 2.227 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001269544393 1081284638 /nfs/dbraw/zinc/28/46/38/1081284638.db2.gz DRXGRMWVYMGTJX-AWEZNQCLSA-N 0 3 302.393 2.266 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001668015933 1081306069 /nfs/dbraw/zinc/30/60/69/1081306069.db2.gz METBLUVPAJYIMV-MNOVXSKESA-N 0 3 303.244 2.426 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2cc(OC)ccn2)C1 ZINC001668202668 1081326383 /nfs/dbraw/zinc/32/63/83/1081326383.db2.gz JTJRBLKYXPDRPN-AWEZNQCLSA-N 0 3 317.433 2.431 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cccc(OC)c1 ZINC001668300896 1081339126 /nfs/dbraw/zinc/33/91/26/1081339126.db2.gz YMBXZHHDTZYRIW-ZDUSSCGKSA-N 0 3 310.825 2.475 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C1(c2cccnc2)CCCC1 ZINC001668532886 1081365204 /nfs/dbraw/zinc/36/52/04/1081365204.db2.gz GRUSRRFCKMHDNZ-UHFFFAOYSA-N 0 3 313.445 2.355 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1ccc(OCC(C)C)cc1 ZINC001669170126 1081435419 /nfs/dbraw/zinc/43/54/19/1081435419.db2.gz BEEZBQFCSTYXBF-AATRIKPKSA-N 0 3 300.402 2.230 20 30 DEEDHN CO[C@@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001482261610 1081438675 /nfs/dbraw/zinc/43/86/75/1081438675.db2.gz SYGKTIHIXFWYCA-KBPBESRZSA-N 0 3 322.836 2.163 20 30 DEEDHN C=C(Br)CNCC[C@@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC001280150775 1081438784 /nfs/dbraw/zinc/43/87/84/1081438784.db2.gz DBYZREVOUBDQHK-NEPJUHHUSA-N 0 3 321.234 2.471 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H]2OC)cc1 ZINC001270065234 1081441423 /nfs/dbraw/zinc/44/14/23/1081441423.db2.gz IIFDDFYHJGTQQX-ZWKOTPCHSA-N 0 3 314.429 2.231 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C2(COCC)CC2)cc1 ZINC001270065127 1081441534 /nfs/dbraw/zinc/44/15/34/1081441534.db2.gz FDKBZSBITUBBDS-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1CC(F)(F)C1 ZINC001669269466 1081442592 /nfs/dbraw/zinc/44/25/92/1081442592.db2.gz RNZPMNATGKRVEB-GFCCVEGCSA-N 0 3 324.346 2.317 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C[C@H](C)n2ccc(C)n2)cc1 ZINC001270070812 1081443460 /nfs/dbraw/zinc/44/34/60/1081443460.db2.gz DRAHTGJWRYIBDO-INIZCTEOSA-N 0 3 324.428 2.182 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001669297842 1081444255 /nfs/dbraw/zinc/44/42/55/1081444255.db2.gz SAGIBLQOKVBYHB-VXGBXAGGSA-N 0 3 301.394 2.021 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C[C@@H](C)n2cccc2)cc1 ZINC001270082412 1081445614 /nfs/dbraw/zinc/44/56/14/1081445614.db2.gz WSABECXWWGPBEK-MRXNPFEDSA-N 0 3 309.413 2.478 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CNCC(=O)N(C(C)C)C(C)C)C1 ZINC001669392857 1081448239 /nfs/dbraw/zinc/44/82/39/1081448239.db2.gz ZQUGCGHCNRESDE-OAHLLOKOSA-N 0 3 323.481 2.082 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H](C)CNCc1ncccc1C ZINC001669458519 1081451572 /nfs/dbraw/zinc/45/15/72/1081451572.db2.gz ZFSUVRUOBFDFOF-MRXNPFEDSA-N 0 3 321.424 2.208 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1C)C2 ZINC001111345890 1081463414 /nfs/dbraw/zinc/46/34/14/1081463414.db2.gz RKJHXTQYYLVATJ-ZACQAIPSSA-N 0 3 312.413 2.119 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Oc1ccccc1)C2 ZINC001111345814 1081463446 /nfs/dbraw/zinc/46/34/46/1081463446.db2.gz PKKQHUBVLBGEHM-IDCNUPLLSA-N 0 3 312.413 2.199 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001669851772 1081474039 /nfs/dbraw/zinc/47/40/39/1081474039.db2.gz NKOVHPYEANPQDO-LUKYLMHMSA-N 0 3 308.466 2.452 20 30 DEEDHN C[C@H](CNCC=C(Cl)Cl)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001482273431 1081478149 /nfs/dbraw/zinc/47/81/49/1081478149.db2.gz LIYZSDHTMRGNCH-SECBINFHSA-N 0 3 315.204 2.255 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)C1(C)CC(F)(F)C1 ZINC001669911593 1081479153 /nfs/dbraw/zinc/47/91/53/1081479153.db2.gz WYVLQZHSTVNKKF-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C#CCN(C(=O)c1ccnc(F)c1)C1CCN(CC(=C)C)CC1 ZINC001270296712 1081496733 /nfs/dbraw/zinc/49/67/33/1081496733.db2.gz SRUGNRWJHARFMY-UHFFFAOYSA-N 0 3 315.392 2.337 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COc2ccc(C)cc2C)C1 ZINC001671693284 1081533177 /nfs/dbraw/zinc/53/31/77/1081533177.db2.gz ITSAQHNKNNDTFC-LJQANCHMSA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCOc2ccccc2OC)C1 ZINC001671689170 1081533268 /nfs/dbraw/zinc/53/32/68/1081533268.db2.gz OZGHUUFJSBLMDE-SFHVURJKSA-N 0 3 318.417 2.231 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@](C)(CNCc2nccn2C)C1 ZINC001671779010 1081538289 /nfs/dbraw/zinc/53/82/89/1081538289.db2.gz AUFLFYKSYSKSER-ZWKOTPCHSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001671842175 1081542817 /nfs/dbraw/zinc/54/28/17/1081542817.db2.gz FMCZTNTVKJBHSN-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001270589264 1081558675 /nfs/dbraw/zinc/55/86/75/1081558675.db2.gz DQGMOMAWXABBKL-KDOFPFPSSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001672044174 1081559196 /nfs/dbraw/zinc/55/91/96/1081559196.db2.gz HBRAUKQWBLMNSX-MAUKXSAKSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2[nH]cnc2c1F ZINC001626751088 1081579193 /nfs/dbraw/zinc/57/91/93/1081579193.db2.gz SBTWXTOLFDLOLE-UHFFFAOYSA-N 0 3 304.369 2.282 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1csc(NC2CC2)n1 ZINC001626751178 1081585234 /nfs/dbraw/zinc/58/52/34/1081585234.db2.gz WTGRJRJVJZSMPC-UHFFFAOYSA-N 0 3 308.451 2.297 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1c[nH]nc1CCC ZINC001672392628 1081592151 /nfs/dbraw/zinc/59/21/51/1081592151.db2.gz OPYHGFPPXLKYDB-UHFFFAOYSA-N 0 3 324.428 2.227 20 30 DEEDHN C=CCOCC(=O)N1CC[C@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001270698747 1081604753 /nfs/dbraw/zinc/60/47/53/1081604753.db2.gz WHDXMFDJROUSRR-YRBHFNIASA-N 0 3 321.248 2.336 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC001672834079 1081710759 /nfs/dbraw/zinc/71/07/59/1081710759.db2.gz IEEBPASPXBPUSP-HIFRSBDPSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@](C)(CNCc2nccnc2C)C1 ZINC001270789757 1081713250 /nfs/dbraw/zinc/71/32/50/1081713250.db2.gz YFILKEZJTZLLRF-SFHVURJKSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)/C=C(\C)CC)C2)CC1 ZINC001673346553 1081757287 /nfs/dbraw/zinc/75/72/87/1081757287.db2.gz BSCIUYRPXVDPAO-FYPAKXHLSA-N 0 3 305.466 2.137 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001673347395 1081757431 /nfs/dbraw/zinc/75/74/31/1081757431.db2.gz OSHZXKVXZFAADX-QGZVFWFLSA-N 0 3 317.433 2.078 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)COC2CCCCC2)CC1 ZINC001673387533 1081765070 /nfs/dbraw/zinc/76/50/70/1081765070.db2.gz SLRUXEOUACJHCK-MRXNPFEDSA-N 0 3 306.450 2.330 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1ccc(OCC)cc1 ZINC001673487305 1081774287 /nfs/dbraw/zinc/77/42/87/1081774287.db2.gz ZQRXHOINCVDBEA-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC001673491264 1081775875 /nfs/dbraw/zinc/77/58/75/1081775875.db2.gz HUMGCPFEERABSK-OAHLLOKOSA-N 0 3 304.821 2.393 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1n[nH]c(C)n1)CC(C)C ZINC001482392625 1081788665 /nfs/dbraw/zinc/78/86/65/1081788665.db2.gz ZBFUCVNBEAIGBI-AWEZNQCLSA-N 0 3 321.469 2.336 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NCc1cncc(F)c1 ZINC001673866549 1081805979 /nfs/dbraw/zinc/80/59/79/1081805979.db2.gz NJFXPGWDQUCDNY-BBRMVZONSA-N 0 3 317.408 2.207 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001674039964 1081831526 /nfs/dbraw/zinc/83/15/26/1081831526.db2.gz ZOUJRBTYZPJDES-INIZCTEOSA-N 0 3 305.466 2.136 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C(=O)C(C)(C)C ZINC001270920987 1081839537 /nfs/dbraw/zinc/83/95/37/1081839537.db2.gz CPQKPQDBTWPHCM-LLVKDONJSA-N 0 3 321.446 2.171 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H](C)COC ZINC001482445130 1081846148 /nfs/dbraw/zinc/84/61/48/1081846148.db2.gz WTPWXKOGZOTCDN-TZMCWYRMSA-N 0 3 302.846 2.382 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)C=C2CCC2)CC1 ZINC001674284214 1081857067 /nfs/dbraw/zinc/85/70/67/1081857067.db2.gz NKPDJCAPOZSEAX-UHFFFAOYSA-N 0 3 305.466 2.187 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cnc(OC)nc1C ZINC001270978112 1081863032 /nfs/dbraw/zinc/86/30/32/1081863032.db2.gz YEGBHKFZWSMSMX-CYBMUJFWSA-N 0 3 320.437 2.086 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CCNCC(=C)Cl ZINC001482448718 1081873549 /nfs/dbraw/zinc/87/35/49/1081873549.db2.gz LGFQZXOXMCDWLF-LSDHHAIUSA-N 0 3 312.841 2.138 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](CCC(C)C)NC(C)=O ZINC001674499213 1081883065 /nfs/dbraw/zinc/88/30/65/1081883065.db2.gz FMHOVPSFMJQSLT-SJORKVTESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CN[C@H](C)c1n[nH]c(CC)n1 ZINC001271060381 1081893072 /nfs/dbraw/zinc/89/30/72/1081893072.db2.gz UGXPHYFCNZNORM-QWHCGFSZSA-N 0 3 321.469 2.467 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001271086884 1081902907 /nfs/dbraw/zinc/90/29/07/1081902907.db2.gz RUYYWSKOUSARBO-VOMSXAGXSA-N 0 3 310.388 2.439 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)SC)C1 ZINC001271094618 1081908595 /nfs/dbraw/zinc/90/85/95/1081908595.db2.gz YBMCAKNENXIOGG-QWHCGFSZSA-N 0 3 318.433 2.225 20 30 DEEDHN C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001480856403 1081912006 /nfs/dbraw/zinc/91/20/06/1081912006.db2.gz BVXADFHSLRVZOA-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN COc1cccc([C@H](C)N(C)CCNC(=O)C#CC2CC2)c1 ZINC001480862609 1081925360 /nfs/dbraw/zinc/92/53/60/1081925360.db2.gz WVEHKVVSTZSVIR-AWEZNQCLSA-N 0 3 300.402 2.218 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC001266290562 1081945859 /nfs/dbraw/zinc/94/58/59/1081945859.db2.gz DLALBXRHGLLXDX-IRXDYDNUSA-N 0 3 302.418 2.041 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](C)c2cccc(OC)c2)C1 ZINC001266360957 1081997907 /nfs/dbraw/zinc/99/79/07/1081997907.db2.gz GLPJTQHWBFCHDC-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)CC1CCCC1 ZINC001271245285 1081998070 /nfs/dbraw/zinc/99/80/70/1081998070.db2.gz BZYCOEOYHDBOQA-QGZVFWFLSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001266390230 1082014910 /nfs/dbraw/zinc/01/49/10/1082014910.db2.gz OWLWTYHPDHZAAN-WMZOPIPTSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001266403115 1082023126 /nfs/dbraw/zinc/02/31/26/1082023126.db2.gz DXBLAZFJDCELEX-QGZVFWFLSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001266442155 1082041285 /nfs/dbraw/zinc/04/12/85/1082041285.db2.gz ADXBEGCVMWCWAU-INIZCTEOSA-N 0 3 306.381 2.223 20 30 DEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001266486017 1082068696 /nfs/dbraw/zinc/06/86/96/1082068696.db2.gz KZTFUSNFYQBQJY-DLBZAZTESA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001271593170 1082088157 /nfs/dbraw/zinc/08/81/57/1082088157.db2.gz XCGSHVYOGQYBBY-ZDUSSCGKSA-N 0 3 310.829 2.066 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001266524302 1082107088 /nfs/dbraw/zinc/10/70/88/1082107088.db2.gz KNNNLXOJKAYYFN-AWEZNQCLSA-N 0 3 305.809 2.085 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cncn1C ZINC001271693646 1082111718 /nfs/dbraw/zinc/11/17/18/1082111718.db2.gz CZFOCDKFGMFNJG-GDBMZVCRSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1cncn1C ZINC001271714090 1082117115 /nfs/dbraw/zinc/11/71/15/1082117115.db2.gz GFLGEXJCWFAGBM-RDJZCZTQSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001266529722 1082117340 /nfs/dbraw/zinc/11/73/40/1082117340.db2.gz LSMSPVWCOQUCQF-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001266562345 1082161333 /nfs/dbraw/zinc/16/13/33/1082161333.db2.gz XDHINIPGTIBUQF-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001266563983 1082161808 /nfs/dbraw/zinc/16/18/08/1082161808.db2.gz MTNFCRHQUSCTDN-HOCLYGCPSA-N 0 3 302.805 2.194 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(OC)ccc1OC ZINC001266577266 1082170843 /nfs/dbraw/zinc/17/08/43/1082170843.db2.gz DDUUUMRQFNJIRA-UHFFFAOYSA-N 0 3 318.417 2.169 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@H](CNC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001271885391 1082180407 /nfs/dbraw/zinc/18/04/07/1082180407.db2.gz ONNICDJQPDKJKL-GXTWGEPZSA-N 0 3 320.437 2.189 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001271987522 1082220687 /nfs/dbraw/zinc/22/06/87/1082220687.db2.gz JDHMIKLMAUFMDD-QAPCUYQASA-N 0 3 320.433 2.211 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(OC)c1OC ZINC001670714437 1082241793 /nfs/dbraw/zinc/24/17/93/1082241793.db2.gz RGXPOWJBJNLQJF-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C(=NOCCOCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000588422187 1082341026 /nfs/dbraw/zinc/34/10/26/1082341026.db2.gz QBKKJMWCFITQKT-UHFFFAOYSA-N 0 3 304.390 2.300 20 30 DEEDHN CC#CCCCC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001266809175 1082360092 /nfs/dbraw/zinc/36/00/92/1082360092.db2.gz UQDMPOLMJRQKKH-UHFFFAOYSA-N 0 3 303.431 2.361 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1cn2ccccc2n1 ZINC001266843909 1082387033 /nfs/dbraw/zinc/38/70/33/1082387033.db2.gz DTAHHHVZVVMCOB-INIZCTEOSA-N 0 3 312.417 2.034 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H](OCC)C(C)C)[C@@H]2C1 ZINC001272078757 1082403605 /nfs/dbraw/zinc/40/36/05/1082403605.db2.gz RDUFRLLRVUKCSY-RCCFBDPRSA-N 0 3 320.477 2.384 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(CC)CCOCC2)C1 ZINC001266897073 1082438172 /nfs/dbraw/zinc/43/81/72/1082438172.db2.gz KYQDITJVSWCUOW-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2cc(C)ncn2)C1 ZINC001482658391 1082439986 /nfs/dbraw/zinc/43/99/86/1082439986.db2.gz SVAMYSPDMGDMRC-NVXWUHKLSA-N 0 3 314.433 2.174 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001266973669 1082484832 /nfs/dbraw/zinc/48/48/32/1082484832.db2.gz AMCDYNFOEVNGIV-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001266980102 1082486439 /nfs/dbraw/zinc/48/64/39/1082486439.db2.gz OTIAVYMBMOWJDW-INIZCTEOSA-N 0 3 308.466 2.337 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C\CNCc1ccc(C)c(F)c1 ZINC001483001868 1082617203 /nfs/dbraw/zinc/61/72/03/1082617203.db2.gz HEWLORLZVRWTFF-OOFWQKGWSA-N 0 3 320.408 2.223 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC001483008100 1082621402 /nfs/dbraw/zinc/62/14/02/1082621402.db2.gz SBZFZGYYJVRFOW-LZDOZHLXSA-N 0 3 306.450 2.257 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)CCn2cccc2)c1 ZINC001483076289 1082693267 /nfs/dbraw/zinc/69/32/67/1082693267.db2.gz DQEMBZKOXPXKLR-OWOJBTEDSA-N 0 3 322.412 2.212 20 30 DEEDHN CC[C@@H](CC(=O)NC/C=C/CNCC#CCOC)C(C)(C)C ZINC001483082493 1082696593 /nfs/dbraw/zinc/69/65/93/1082696593.db2.gz QYPCXDWMXCIAGF-WAVCKPEOSA-N 0 3 308.466 2.361 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)c1cccc(OC)c1 ZINC001483097152 1082705650 /nfs/dbraw/zinc/70/56/50/1082705650.db2.gz IIXRCZSHKPZPCE-LQYUOIDQSA-N 0 3 300.402 2.084 20 30 DEEDHN Cc1ccoc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001483110535 1082715945 /nfs/dbraw/zinc/71/59/45/1082715945.db2.gz PCPDFKDPSFDTBQ-LLVKDONJSA-N 0 3 303.387 2.429 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC001483116156 1082722830 /nfs/dbraw/zinc/72/28/30/1082722830.db2.gz CQMZDORUBXTFIQ-BOLDSZDNSA-N 0 3 323.481 2.108 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001483163451 1082784907 /nfs/dbraw/zinc/78/49/07/1082784907.db2.gz AXMSHACUGRDEAS-MLGOLLRUSA-N 0 3 307.442 2.125 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001483213683 1082813515 /nfs/dbraw/zinc/81/35/15/1082813515.db2.gz NRPTYUBJNMUXQB-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001409441762 1082891139 /nfs/dbraw/zinc/89/11/39/1082891139.db2.gz HHEVWMQQSPATIA-ZDUSSCGKSA-N 0 3 302.846 2.238 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001409532620 1082940755 /nfs/dbraw/zinc/94/07/55/1082940755.db2.gz XYXZSDXYEZJYMI-KGLIPLIRSA-N 0 3 319.474 2.494 20 30 DEEDHN C[C@@H](CNC(=O)Cc1cccnc1)N(C)Cc1ccc(C#N)cc1 ZINC001409544935 1082945318 /nfs/dbraw/zinc/94/53/18/1082945318.db2.gz KHZXTORFYIPSBW-HNNXBMFYSA-N 0 3 322.412 2.132 20 30 DEEDHN Cc1oncc1CNCC1(NC(=O)[C@H](C)C#N)CCCCC1 ZINC001409758598 1083042232 /nfs/dbraw/zinc/04/22/32/1083042232.db2.gz BHRIZLSXPOBASJ-GFCCVEGCSA-N 0 3 304.394 2.051 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)CCc1cccc(OC)c1F ZINC001483346380 1083119541 /nfs/dbraw/zinc/11/95/41/1083119541.db2.gz UOEDQASOOAIZRJ-CYBMUJFWSA-N 0 3 308.397 2.389 20 30 DEEDHN CN(C)C1(C)CN(Cc2ccc(C#N)cc2Br)C1 ZINC001137638216 1083364279 /nfs/dbraw/zinc/36/42/79/1083364279.db2.gz WQBVBDWUEPUREU-UHFFFAOYSA-N 0 3 308.223 2.457 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001276460688 1083450103 /nfs/dbraw/zinc/45/01/03/1083450103.db2.gz PPEBBPKKGQDRBC-KGLIPLIRSA-N 0 3 318.392 2.053 20 30 DEEDHN N#Cc1ccnc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c1 ZINC001276687075 1083547494 /nfs/dbraw/zinc/54/74/94/1083547494.db2.gz LQCRYAJBBDHYDJ-ROUUACIJSA-N 0 3 307.401 2.130 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)CC(F)(F)F)C[C@]2(C)C1 ZINC001276906692 1083673697 /nfs/dbraw/zinc/67/36/97/1083673697.db2.gz VXHNNSUNFBXKJM-YUELXQCFSA-N 0 3 316.367 2.379 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001276957513 1083698814 /nfs/dbraw/zinc/69/88/14/1083698814.db2.gz UMFBAFMOIWKJMG-NEPJUHHUSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001276971050 1083710352 /nfs/dbraw/zinc/71/03/52/1083710352.db2.gz XEIDRWKTACBLKH-CQSZACIVSA-N 0 3 302.422 2.370 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001277039772 1083744357 /nfs/dbraw/zinc/74/43/57/1083744357.db2.gz LDZCLDMHNAKLFA-XJKCOSOUSA-N 0 3 322.478 2.433 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1ccncc1Cl ZINC001277147240 1083808089 /nfs/dbraw/zinc/80/80/89/1083808089.db2.gz BCHDNAHKPDLGCJ-VXGBXAGGSA-N 0 3 308.813 2.269 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(C)nnc1C ZINC001277200377 1083845384 /nfs/dbraw/zinc/84/53/84/1083845384.db2.gz HUMMICWFPAMBBY-LLVKDONJSA-N 0 3 310.829 2.334 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@]1(C)CN(CC2CCCC2)CCO1 ZINC001107934803 1083908319 /nfs/dbraw/zinc/90/83/19/1083908319.db2.gz MBOISSRIBVVHDK-LJQANCHMSA-N 0 3 320.477 2.433 20 30 DEEDHN N#CC1(NC(=O)[C@H]2CC23CCN(Cc2ccco2)CC3)CCC1 ZINC001277398734 1083948527 /nfs/dbraw/zinc/94/85/27/1083948527.db2.gz BORUPYXABYGKFW-OAHLLOKOSA-N 0 3 313.401 2.444 20 30 DEEDHN C=C/C(C)=C\CC(=O)N1CCC(N(CC#CC)CCOC)CC1 ZINC001277405035 1083952258 /nfs/dbraw/zinc/95/22/58/1083952258.db2.gz LEMPOIFRZMVDLA-IUXPMGMMSA-N 0 3 318.461 2.472 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764945 1083976629 /nfs/dbraw/zinc/97/66/29/1083976629.db2.gz DNAWMRGILYQFJV-SFHVURJKSA-N 0 3 300.402 2.311 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764945 1083976638 /nfs/dbraw/zinc/97/66/38/1083976638.db2.gz DNAWMRGILYQFJV-SFHVURJKSA-N 0 3 300.402 2.311 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCCOC)C1 ZINC001490987669 1083990103 /nfs/dbraw/zinc/99/01/03/1083990103.db2.gz WGOHSEADPZWMFX-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN Cc1cccc(C)c1CN1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277498689 1084004137 /nfs/dbraw/zinc/00/41/37/1084004137.db2.gz ZWXSMLPJPHGDAE-GOSISDBHSA-N 0 3 323.440 2.497 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001670906738 1084048848 /nfs/dbraw/zinc/04/88/48/1084048848.db2.gz HCJMWIRNKYMTQU-HNNXBMFYSA-N 0 3 306.450 2.091 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCOc2cccnc2)C1 ZINC001491081034 1084054483 /nfs/dbraw/zinc/05/44/83/1084054483.db2.gz LWVMOSDQAUPYJY-OKILXGFUSA-N 0 3 323.824 2.230 20 30 DEEDHN C=CCCCN1C[C@@H]2C(C(=O)NC3CCC(F)CC3)=NO[C@@H]2C1 ZINC001277779395 1084145660 /nfs/dbraw/zinc/14/56/60/1084145660.db2.gz GIYDULZNIZLGPW-PFSRBDOWSA-N 0 3 323.412 2.036 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CCCCN1CCOC1CCC1 ZINC001491206781 1084153567 /nfs/dbraw/zinc/15/35/67/1084153567.db2.gz SAYIHUCXTQWWBW-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C1(C)CC1 ZINC001277827135 1084165335 /nfs/dbraw/zinc/16/53/35/1084165335.db2.gz VMHKTFDWSOMLKW-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C1CC1 ZINC001670956868 1084167312 /nfs/dbraw/zinc/16/73/12/1084167312.db2.gz WHCRIMUZHCNJLQ-IKGGRYGDSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCCn1ccnc1 ZINC001491237854 1084174664 /nfs/dbraw/zinc/17/46/64/1084174664.db2.gz SGTODCOPQJFMIY-MRXNPFEDSA-N 0 3 304.438 2.210 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)CCC2CC2)CC1 ZINC001670994083 1084190662 /nfs/dbraw/zinc/19/06/62/1084190662.db2.gz NACCZQARSSXHCW-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CN(C)c2ccccc2)C1 ZINC001671699126 1084199601 /nfs/dbraw/zinc/19/96/01/1084199601.db2.gz KBJJPVKQBDIJKI-SFHVURJKSA-N 0 3 301.434 2.280 20 30 DEEDHN COCCN1CCC(Oc2c(C)cc(C#N)cc2OC)CC1 ZINC001234865730 1084223750 /nfs/dbraw/zinc/22/37/50/1084223750.db2.gz WAPBSRNHZYEDTA-UHFFFAOYSA-N 0 3 304.390 2.365 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H](C)CNC(=O)C#CC1CC1 ZINC001491453455 1084318967 /nfs/dbraw/zinc/31/89/67/1084318967.db2.gz ZQIYXQRZKZLTKM-AWEZNQCLSA-N 0 3 300.402 2.011 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CC[C@H]2CCOC2)CCC1 ZINC001235210477 1084344195 /nfs/dbraw/zinc/34/41/95/1084344195.db2.gz UATKIIZQZZRMDB-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC2(CCOCC2)C1 ZINC001089951916 1084368585 /nfs/dbraw/zinc/36/85/85/1084368585.db2.gz BMRGYVDLBVQOEP-HZMVEIRTSA-N 0 3 318.461 2.206 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 ZINC001272907942 1084460100 /nfs/dbraw/zinc/46/01/00/1084460100.db2.gz NUDMHMHLFDPGFX-QGZVFWFLSA-N 0 3 309.413 2.463 20 30 DEEDHN O=C1C=C2CN(Cc3nc4cc(F)ccc4[nH]3)CCC2S1 ZINC001235688681 1084500271 /nfs/dbraw/zinc/50/02/71/1084500271.db2.gz MHANZNRFMVZVDK-CYBMUJFWSA-N 0 3 303.362 2.476 20 30 DEEDHN O=C(Cc1ccco1)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277964745 1084510856 /nfs/dbraw/zinc/51/08/56/1084510856.db2.gz HGMSUXAINFFCCW-SFHVURJKSA-N 0 3 322.408 2.454 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001235722982 1084512943 /nfs/dbraw/zinc/51/29/43/1084512943.db2.gz NIUQRKROJAJLKT-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN N#Cc1ccc(C[N@@H+]2CCNC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001235857359 1084550892 /nfs/dbraw/zinc/55/08/92/1084550892.db2.gz VWLDUWPFGYBNBV-GOSISDBHSA-N 0 3 307.397 2.280 20 30 DEEDHN N#Cc1ccc(C[N@H+]2CCNC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001235857359 1084550901 /nfs/dbraw/zinc/55/09/01/1084550901.db2.gz VWLDUWPFGYBNBV-GOSISDBHSA-N 0 3 307.397 2.280 20 30 DEEDHN N#Cc1ccc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c([O-])c1 ZINC001235857359 1084550914 /nfs/dbraw/zinc/55/09/14/1084550914.db2.gz VWLDUWPFGYBNBV-GOSISDBHSA-N 0 3 307.397 2.280 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)CN1CCC[C@H]1C ZINC001078468147 1084705196 /nfs/dbraw/zinc/70/51/96/1084705196.db2.gz YRBSWUGHYSYHCK-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccn2)C12CCC2 ZINC001078536783 1084730447 /nfs/dbraw/zinc/73/04/47/1084730447.db2.gz PYYICNVWUMZCGT-UONOGXRCSA-N 0 3 305.809 2.465 20 30 DEEDHN COc1ccccc1C[C@@](C)(CO)NCc1cc(C#N)ccn1 ZINC001363290356 1126184094 /nfs/dbraw/zinc/18/40/94/1126184094.db2.gz RZZDCZGSFNNQNS-SFHVURJKSA-N 0 3 311.385 2.045 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@H]1CCc2ccccc21 ZINC001485999949 1085023729 /nfs/dbraw/zinc/02/37/29/1085023729.db2.gz IQNLFCSUTXSGHS-RDJZCZTQSA-N 0 3 302.418 2.097 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccccc2OC)C1 ZINC001486127450 1085094087 /nfs/dbraw/zinc/09/40/87/1085094087.db2.gz IGFMOBWJOCJADR-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3oc2=O)C1 ZINC001486127172 1085094096 /nfs/dbraw/zinc/09/40/96/1085094096.db2.gz FGIBXKKTQFCDKO-UKRRQHHQSA-N 0 3 324.380 2.009 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3ccccc3oc2=O)C1 ZINC001486127167 1085094506 /nfs/dbraw/zinc/09/45/06/1085094506.db2.gz FGIBXKKTQFCDKO-DZGCQCFKSA-N 0 3 324.380 2.009 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CC[C@H](CNCc2cnns2)C1 ZINC001486211654 1085143590 /nfs/dbraw/zinc/14/35/90/1085143590.db2.gz WZGOXVTYALABGC-UONOGXRCSA-N 0 3 320.462 2.106 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000960255381 1085166814 /nfs/dbraw/zinc/16/68/14/1085166814.db2.gz IPZJKBZHRYWMPR-NVXWUHKLSA-N 0 3 306.369 2.058 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NCC(=O)N[C@@H](C)CC)C(C)(C)C1 ZINC001486234819 1085172768 /nfs/dbraw/zinc/17/27/68/1085172768.db2.gz YBOAEMKCXZDGHH-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1CCC ZINC000960273730 1085176240 /nfs/dbraw/zinc/17/62/40/1085176240.db2.gz RIDLUOPRZOGGNT-SJLPKXTDSA-N 0 3 324.428 2.465 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc2n1CCC2 ZINC000960278848 1085178953 /nfs/dbraw/zinc/17/89/53/1085178953.db2.gz PZSAKTDYGXAKCA-CRAIPNDOSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCN(CC2CC2)CC1 ZINC001351669046 1151594804 /nfs/dbraw/zinc/59/48/04/1151594804.db2.gz LYMZAEXFIGDOTI-ZFWWWQNUSA-N 0 3 301.438 2.120 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H](CCC)OCC)CC2)CC1 ZINC001486489195 1085367786 /nfs/dbraw/zinc/36/77/86/1085367786.db2.gz DFYLJWNKURORKM-MRXNPFEDSA-N 0 3 306.450 2.186 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCN(CCF)C3)C2)[nH]1 ZINC000961129999 1085598551 /nfs/dbraw/zinc/59/85/51/1085598551.db2.gz GCYCTIIOHFQKTN-KBPBESRZSA-N 0 3 318.396 2.030 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)c2ccco2)C1 ZINC000961487192 1085754561 /nfs/dbraw/zinc/75/45/61/1085754561.db2.gz SAZNWHQTBRGUCW-UHFFFAOYSA-N 0 3 309.369 2.449 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001128414023 1085773327 /nfs/dbraw/zinc/77/33/27/1085773327.db2.gz SWEDGXHSVPIJDK-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2cccc(OC)c2o1 ZINC000961624901 1085805268 /nfs/dbraw/zinc/80/52/68/1085805268.db2.gz PXLITWNZOMPHNB-VIKVFOODSA-N 0 3 312.369 2.287 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3cncn3C)CC2)C1=O ZINC001272996230 1085853691 /nfs/dbraw/zinc/85/36/91/1085853691.db2.gz DOZWFFOYLMYNQB-SFHVURJKSA-N 0 3 316.449 2.201 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(OC)cc1Cl ZINC000962063823 1085958054 /nfs/dbraw/zinc/95/80/54/1085958054.db2.gz BQPKLIJACVCTJE-NHAGDIPZSA-N 0 3 306.793 2.195 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cnn(C)c1C)CC2 ZINC001273018623 1085980294 /nfs/dbraw/zinc/98/02/94/1085980294.db2.gz JZAMMQCZSTTXFO-MRXNPFEDSA-N 0 3 316.449 2.023 20 30 DEEDHN C#Cc1ccc(C(=O)NC2CC(CNCc3cnoc3C)C2)cc1 ZINC000962154015 1085985038 /nfs/dbraw/zinc/98/50/38/1085985038.db2.gz MVJBYDYFFPGABV-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C#Cc1ccc(C(=O)NC2CC(CNCc3ocnc3C)C2)cc1 ZINC000962153927 1085985279 /nfs/dbraw/zinc/98/52/79/1085985279.db2.gz LCDDRZXLMPJVPB-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cc(C)c(O)cc2C)C1=O ZINC001273049655 1086085334 /nfs/dbraw/zinc/08/53/34/1086085334.db2.gz YWVAQWIJFVXKEY-LJQANCHMSA-N 0 3 312.413 2.209 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128851336 1086418027 /nfs/dbraw/zinc/41/80/27/1086418027.db2.gz ITLIQATXCQJNKZ-XHSDSOJGSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129184913 1086620344 /nfs/dbraw/zinc/62/03/44/1086620344.db2.gz ISUYMXZDUALAKF-OAGGEKHMSA-N 0 3 319.453 2.022 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)F)CC[C@H]1c1ccc(F)cc1 ZINC001079148393 1087726003 /nfs/dbraw/zinc/72/60/03/1087726003.db2.gz PXCRAHNMCCBNCW-JKSUJKDBSA-N 0 3 320.383 2.481 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001079167595 1087730511 /nfs/dbraw/zinc/73/05/11/1087730511.db2.gz KCIACJWVVYMXNL-DLBZAZTESA-N 0 3 300.377 2.143 20 30 DEEDHN C=CCCN1CCN(C(=O)[C@@](C)(c2ccccc2)N(C)C)CC1 ZINC000957289227 1088150429 /nfs/dbraw/zinc/15/04/29/1088150429.db2.gz UQBAQDPYQBENEO-LJQANCHMSA-N 0 3 315.461 2.184 20 30 DEEDHN Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001079542225 1088171040 /nfs/dbraw/zinc/17/10/40/1088171040.db2.gz OLJRVMGCUIPOTQ-RDTXWAMCSA-N 0 3 322.412 2.445 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001079831949 1088433120 /nfs/dbraw/zinc/43/31/20/1088433120.db2.gz ATFXTFKBAKTMBE-UKRRQHHQSA-N 0 3 300.402 2.232 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001080042519 1088594056 /nfs/dbraw/zinc/59/40/56/1088594056.db2.gz NSDOVQXDZWCSDC-ZYHUDNBSSA-N 0 3 320.824 2.014 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001080074397 1088605279 /nfs/dbraw/zinc/60/52/79/1088605279.db2.gz RILDJZOFDPJRQN-UNEWFSDZSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001080153303 1088649957 /nfs/dbraw/zinc/64/99/57/1088649957.db2.gz GGZPPFKQASYADF-CKEIUWERSA-N 0 3 312.413 2.083 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001080168914 1088674008 /nfs/dbraw/zinc/67/40/08/1088674008.db2.gz DIKCTDJDRCBUNA-GDBMZVCRSA-N 0 3 317.433 2.035 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC000958125967 1088806846 /nfs/dbraw/zinc/80/68/46/1088806846.db2.gz FNFJNWVVMKEDCJ-WMLDXEAASA-N 0 3 302.418 2.019 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc3ccccc3s2)C1 ZINC000958229009 1088865292 /nfs/dbraw/zinc/86/52/92/1088865292.db2.gz XBMUCAMKIANLQF-KGLIPLIRSA-N 0 3 316.426 2.110 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001080418917 1088928008 /nfs/dbraw/zinc/92/80/08/1088928008.db2.gz DGGWVWOPPORPKF-SCDSUCTJSA-N 0 3 322.840 2.019 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000958516138 1089039237 /nfs/dbraw/zinc/03/92/37/1089039237.db2.gz TYIKAOWNVNRNPJ-PIIMJCKOSA-N 0 3 320.396 2.055 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC000958610369 1089094532 /nfs/dbraw/zinc/09/45/32/1089094532.db2.gz SANCEPYTFOJFRW-ROUUACIJSA-N 0 3 316.445 2.409 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(CC(C)C)cc2)C1 ZINC000958658322 1089131036 /nfs/dbraw/zinc/13/10/36/1089131036.db2.gz YBFCZLDPNZRIEZ-ROUUACIJSA-N 0 3 316.445 2.094 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001080668709 1089141635 /nfs/dbraw/zinc/14/16/35/1089141635.db2.gz MZNLQGLQEKLPEE-CZUORRHYSA-N 0 3 304.438 2.228 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001080717912 1089155044 /nfs/dbraw/zinc/15/50/44/1089155044.db2.gz WFDXBRURFMLSSD-BXUZGUMPSA-N 0 3 301.415 2.303 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC000958732720 1089155509 /nfs/dbraw/zinc/15/55/09/1089155509.db2.gz PVEWSGKZYKEFHT-HIFRSBDPSA-N 0 3 306.406 2.002 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)C2CCC(C)(C)CC2)[C@H](O)C1 ZINC000958736189 1089156706 /nfs/dbraw/zinc/15/67/06/1089156706.db2.gz KJCMFHKTIKCJDQ-HZPDHXFCSA-N 0 3 308.466 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H](O)C1 ZINC000958740089 1089158409 /nfs/dbraw/zinc/15/84/09/1089158409.db2.gz JDWGRPFJZBHTEA-QAQJPARQSA-N 0 3 320.477 2.188 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001080894653 1089223708 /nfs/dbraw/zinc/22/37/08/1089223708.db2.gz FQJPSIXGKYGRBO-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001080976945 1089261827 /nfs/dbraw/zinc/26/18/27/1089261827.db2.gz PIQOWZVDNDBQRC-DAXOMENPSA-N 0 3 318.392 2.142 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ncoc2CC)C[C@H]1c1ccccc1 ZINC001081100180 1089350545 /nfs/dbraw/zinc/35/05/45/1089350545.db2.gz ZLEJNIXHYYKLBW-JKSUJKDBSA-N 0 3 323.396 2.068 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1c1ccccc1 ZINC001081135328 1089362856 /nfs/dbraw/zinc/36/28/56/1089362856.db2.gz RDHDJZAQRUWPTK-ZWKOTPCHSA-N 0 3 321.424 2.463 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2oc(C)cc2C)[C@H](OC)C1 ZINC001081504550 1089419829 /nfs/dbraw/zinc/41/98/29/1089419829.db2.gz HOIIKWCQKFHZBB-HUUCEWRRSA-N 0 3 306.406 2.292 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)ccc2OC)[C@H](OC)C1 ZINC001081913222 1089542214 /nfs/dbraw/zinc/54/22/14/1089542214.db2.gz OOFJJSWFODHMMW-NVXWUHKLSA-N 0 3 318.417 2.009 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@H](OC)C1 ZINC001082049499 1089672969 /nfs/dbraw/zinc/67/29/69/1089672969.db2.gz NGHYNRAFGIYZEN-HUUCEWRRSA-N 0 3 305.422 2.143 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H](OC)C1 ZINC001082354475 1089867315 /nfs/dbraw/zinc/86/73/15/1089867315.db2.gz XMADQCFIYUNHJE-IAGOWNOFSA-N 0 3 302.418 2.309 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2CCC(C)(C)CC2)CCC1 ZINC001273207850 1090094666 /nfs/dbraw/zinc/09/46/66/1090094666.db2.gz FRDNVEZZLVRPRT-UHFFFAOYSA-N 0 3 320.477 2.481 20 30 DEEDHN C=CCCCC(=O)NCCCNCc1c(C)nn(C)c1Cl ZINC001165535391 1090104124 /nfs/dbraw/zinc/10/41/24/1090104124.db2.gz LPBLPIIVTVKNNX-UHFFFAOYSA-N 0 3 312.845 2.334 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)Cc3ccc(C)o3)[C@H]2C1 ZINC001083055206 1090152648 /nfs/dbraw/zinc/15/26/48/1090152648.db2.gz GMTAZMSILWXWBC-DLBZAZTESA-N 0 3 318.417 2.008 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2cccc3ccccc32)[C@@H](O)C1 ZINC001083979179 1090183222 /nfs/dbraw/zinc/18/32/22/1090183222.db2.gz QRNFVXWRCYJGGK-MOPGFXCFSA-N 0 3 324.424 2.120 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001084082373 1090196599 /nfs/dbraw/zinc/19/65/99/1090196599.db2.gz ILMIZZGRKPLRNS-RYRKJORJSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc4ccncc4n3)[C@@H]2C1 ZINC001084525901 1090318190 /nfs/dbraw/zinc/31/81/90/1090318190.db2.gz ACTXHTKKESUWIO-CRAIPNDOSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cnn(C)c3C(F)F)[C@@H]2C1 ZINC001084766641 1090436104 /nfs/dbraw/zinc/43/61/04/1090436104.db2.gz ICGDSOLLNBKANT-DGCLKSJQSA-N 0 3 324.375 2.080 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3coc(CCC)n3)[C@@H]2C1 ZINC001084773460 1090441184 /nfs/dbraw/zinc/44/11/84/1090441184.db2.gz QKHFKIFWXOMRMW-UKRRQHHQSA-N 0 3 303.406 2.350 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COc3cccc(F)c3)[C@@H]2C1 ZINC001084827747 1090463053 /nfs/dbraw/zinc/46/30/53/1090463053.db2.gz UYDVPDKNMWQFLP-RHSMWYFYSA-N 0 3 318.392 2.313 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4oc(C)nc43)[C@@H]2C1 ZINC001084859629 1090479779 /nfs/dbraw/zinc/47/97/79/1090479779.db2.gz DCTSLUPMVRYOBF-GDBMZVCRSA-N 0 3 323.396 2.306 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H](CNCc2ccc(Cl)nc2)C1 ZINC001273236614 1090481336 /nfs/dbraw/zinc/48/13/36/1090481336.db2.gz MFWXPBAFPSNFGL-CQSZACIVSA-N 0 3 323.824 2.018 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NCc1ccsc1 ZINC001410363763 1090585250 /nfs/dbraw/zinc/58/52/50/1090585250.db2.gz CZLHDGRRGDTVIY-LLVKDONJSA-N 0 3 302.403 2.198 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3OCc4ccccc43)C[C@@H]21 ZINC001085084536 1090635608 /nfs/dbraw/zinc/63/56/08/1090635608.db2.gz LIBFDMIWMDWTMU-MNEFBYGVSA-N 0 3 324.424 2.204 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001273267047 1090667306 /nfs/dbraw/zinc/66/73/06/1090667306.db2.gz CZRUEQDFIFWUOA-SBJJXXPASA-N 0 3 312.841 2.324 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001085160564 1090678930 /nfs/dbraw/zinc/67/89/30/1090678930.db2.gz LZFSNPLACMTHAP-VXGBXAGGSA-N 0 3 309.797 2.170 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ncccc1[O-])CC2 ZINC001273324963 1091052076 /nfs/dbraw/zinc/05/20/76/1091052076.db2.gz FRQAEHAVOTUUES-CQSZACIVSA-N 0 3 315.417 2.082 20 30 DEEDHN C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(CC=C)c2[O-])C1=O ZINC001273360755 1091090140 /nfs/dbraw/zinc/09/01/40/1091090140.db2.gz VDWMRLGUELZAQC-FQEVSTJZSA-N 0 3 324.424 2.321 20 30 DEEDHN C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(CC=C)c2[O-])C1=O ZINC001273360755 1091090147 /nfs/dbraw/zinc/09/01/47/1091090147.db2.gz VDWMRLGUELZAQC-FQEVSTJZSA-N 0 3 324.424 2.321 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001273374318 1091109409 /nfs/dbraw/zinc/10/94/09/1091109409.db2.gz JDKXFGKKMSKQPC-IRXDYDNUSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001273376029 1091110172 /nfs/dbraw/zinc/11/01/72/1091110172.db2.gz URWIZJCXBNSGNG-SJORKVTESA-N 0 3 319.493 2.217 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001276033877 1091132788 /nfs/dbraw/zinc/13/27/88/1091132788.db2.gz IEQKOYLQDXTWGM-UHFFFAOYSA-N 0 3 310.829 2.024 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001274436467 1091242423 /nfs/dbraw/zinc/24/24/23/1091242423.db2.gz ONDVRCXGVQBRHL-INIZCTEOSA-N 0 3 320.477 2.455 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CN(C[C@H](C)CC)C2)CC1 ZINC001274474270 1091261598 /nfs/dbraw/zinc/26/15/98/1091261598.db2.gz IBCAJDYDHSDRSL-SJORKVTESA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001274483839 1091267204 /nfs/dbraw/zinc/26/72/04/1091267204.db2.gz WOWBYEDKBXMCRD-INIZCTEOSA-N 0 3 324.428 2.467 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001280690711 1091296006 /nfs/dbraw/zinc/29/60/06/1091296006.db2.gz GHTUKCNXKMXEAM-MRXNPFEDSA-N 0 3 307.482 2.216 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001280690707 1091296076 /nfs/dbraw/zinc/29/60/76/1091296076.db2.gz GHTUKCNXKMXEAM-INIZCTEOSA-N 0 3 307.482 2.216 20 30 DEEDHN CC[C@H](C)N1CC[C@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274578925 1091309505 /nfs/dbraw/zinc/30/95/05/1091309505.db2.gz ALKVBGTXYIOHSA-KSSFIOAISA-N 0 3 312.417 2.176 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001274599243 1091318422 /nfs/dbraw/zinc/31/84/22/1091318422.db2.gz HFJYMADCUBVHST-NFAHFFEMSA-N 0 3 300.402 2.084 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN(CCn2cc(Cl)cn2)CC1 ZINC001280705925 1091349811 /nfs/dbraw/zinc/34/98/11/1091349811.db2.gz ABKDMVDNRWZXSN-HNNXBMFYSA-N 0 3 324.856 2.473 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)CCC(C)(F)F)CC1 ZINC001273429516 1091356199 /nfs/dbraw/zinc/35/61/99/1091356199.db2.gz YTYOVYGYKHXYCA-AWEZNQCLSA-N 0 3 316.392 2.042 20 30 DEEDHN C=CCCCCCN1C[C@@H]2COC[C@H](C1)N2CCn1ccnc1 ZINC001276041458 1091470728 /nfs/dbraw/zinc/47/07/28/1091470728.db2.gz XSVVBIAVUGXUJQ-HDICACEKSA-N 0 3 318.465 2.015 20 30 DEEDHN CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C#N)CCOCC1 ZINC001275097103 1091557166 /nfs/dbraw/zinc/55/71/66/1091557166.db2.gz XVPINIDRBHBBQN-IYBDPMFKSA-N 0 3 319.449 2.028 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCCn1nc(C)cc1C ZINC001275151304 1091586967 /nfs/dbraw/zinc/58/69/67/1091586967.db2.gz ZGYQIXKIRHTYQM-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](OC)C(F)(F)F ZINC001275160529 1091591139 /nfs/dbraw/zinc/59/11/39/1091591139.db2.gz NPBYRQKSICWDMB-VXGBXAGGSA-N 0 3 308.344 2.063 20 30 DEEDHN C=CC[C@H](C(=O)N1CCC[C@H]1CN(C)CCO)c1ccccc1 ZINC001275167958 1091596753 /nfs/dbraw/zinc/59/67/53/1091596753.db2.gz TVZBYTBIZZSJRS-ROUUACIJSA-N 0 3 316.445 2.261 20 30 DEEDHN CC(C)(CN1CCCC1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001299465120 1091632397 /nfs/dbraw/zinc/63/23/97/1091632397.db2.gz IIFCCQQTVWYKIT-JXMROGBWSA-N 0 3 318.392 2.399 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cn1 ZINC001275296283 1091657526 /nfs/dbraw/zinc/65/75/26/1091657526.db2.gz YKTMCHYCKCULCK-ROUUACIJSA-N 0 3 307.401 2.130 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2ccc(C#N)c(OC)c2)C(C)(C)C1 ZINC001412684585 1091679972 /nfs/dbraw/zinc/67/99/72/1091679972.db2.gz BVTNXZKCIYATND-OAHLLOKOSA-N 0 3 301.390 2.027 20 30 DEEDHN CCn1cc(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)cn1 ZINC001275365283 1091691377 /nfs/dbraw/zinc/69/13/77/1091691377.db2.gz IUNCKTVGHNDTFT-HZPDHXFCSA-N 0 3 324.428 2.051 20 30 DEEDHN CCN1C[C@H](NC(=O)c2ccccc2OCC#N)C(C)(C)C1 ZINC001412693935 1091694177 /nfs/dbraw/zinc/69/41/77/1091694177.db2.gz KIHWVLPZHLDAFQ-HNNXBMFYSA-N 0 3 301.390 2.049 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001275412218 1091725919 /nfs/dbraw/zinc/72/59/19/1091725919.db2.gz FXEGDHOVFPGRCY-RYUDHWBXSA-N 0 3 305.426 2.021 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC001273474913 1091868353 /nfs/dbraw/zinc/86/83/53/1091868353.db2.gz KTPHNVOFUNMZSP-LSDHHAIUSA-N 0 3 300.418 2.298 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001490846912 1091884891 /nfs/dbraw/zinc/88/48/91/1091884891.db2.gz OXSWAILQNYJOKX-AWEZNQCLSA-N 0 3 302.422 2.072 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COCc1ccc(C)cc1 ZINC001273524428 1091901604 /nfs/dbraw/zinc/90/16/04/1091901604.db2.gz WBUDWCNEZVGZRH-UHFFFAOYSA-N 0 3 316.445 2.315 20 30 DEEDHN CC(C)CN1CC[C@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273619484 1091959930 /nfs/dbraw/zinc/95/99/30/1091959930.db2.gz JEKDHKFIPXLOGT-SFHVURJKSA-N 0 3 312.417 2.034 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc3ccccn3c2)CC1 ZINC000948829622 1091961117 /nfs/dbraw/zinc/96/11/17/1091961117.db2.gz RYLSPTDDDLKBBN-KRWDZBQOSA-N 0 3 309.413 2.499 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cnn(C2CCCC2)c1C ZINC001273702545 1092002836 /nfs/dbraw/zinc/00/28/36/1092002836.db2.gz PEZOYYIGOJPMHW-UHFFFAOYSA-N 0 3 316.449 2.382 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1COC(C)(C)O1 ZINC001273719362 1092013000 /nfs/dbraw/zinc/01/30/00/1092013000.db2.gz RMAZGBRYAHCJQL-QAPCUYQASA-N 0 3 322.449 2.171 20 30 DEEDHN CC#CCNCCN(CC)C(=O)CCc1ccccc1OC ZINC001273738695 1092023609 /nfs/dbraw/zinc/02/36/09/1092023609.db2.gz WMPRURXNQAMADH-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2cc[nH]c2cn1 ZINC001273800004 1092065575 /nfs/dbraw/zinc/06/55/75/1092065575.db2.gz FFNGFRPWYQJUCS-IAGOWNOFSA-N 0 3 310.401 2.314 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H]1C(C)C)CCO2 ZINC000949221406 1092073166 /nfs/dbraw/zinc/07/31/66/1092073166.db2.gz ZKXDDVPVHCBCAO-CVEARBPZSA-N 0 3 306.450 2.158 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@]1(C)CC)CCO2 ZINC000949221077 1092074006 /nfs/dbraw/zinc/07/40/06/1092074006.db2.gz UAZWZJGLECIGOL-FUHWJXTLSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000949332556 1092111903 /nfs/dbraw/zinc/11/19/03/1092111903.db2.gz OZDCKYBWLODWJW-FVQHAEBGSA-N 0 3 318.461 2.302 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)COCc2ccc(C)cc2)CC1 ZINC001280747510 1092163197 /nfs/dbraw/zinc/16/31/97/1092163197.db2.gz QYPUEPCGIGUKLE-SFHVURJKSA-N 0 3 314.429 2.116 20 30 DEEDHN CCC[C@H](C)C(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001273831513 1092267320 /nfs/dbraw/zinc/26/73/20/1092267320.db2.gz AVLPDQJODMAGIK-HKUYNNGSSA-N 0 3 320.477 2.387 20 30 DEEDHN CCC(C)(C)C(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001273839620 1092303162 /nfs/dbraw/zinc/30/31/62/1092303162.db2.gz ASKKGIFUFVSSIK-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN Cc1ccc(C(=O)NC/C=C\CNCc2cccc(C#N)c2)cn1 ZINC001273851729 1092339956 /nfs/dbraw/zinc/33/99/56/1092339956.db2.gz LYOSQBRLXIJWNW-IHWYPQMZSA-N 0 3 320.396 2.338 20 30 DEEDHN C#CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)noc1C ZINC001275977660 1092424303 /nfs/dbraw/zinc/42/43/03/1092424303.db2.gz CUACFWQZEIHATL-GASCZTMLSA-N 0 3 316.405 2.385 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc2nonc2c1 ZINC001488655358 1092664061 /nfs/dbraw/zinc/66/40/61/1092664061.db2.gz RIMBWVVKTNHIAO-CQSZACIVSA-N 0 3 314.389 2.335 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1c[nH]c2ncccc12 ZINC001488699137 1092682246 /nfs/dbraw/zinc/68/22/46/1092682246.db2.gz NPYZXLANPRARBS-HNNXBMFYSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001488688907 1092687857 /nfs/dbraw/zinc/68/78/57/1092687857.db2.gz LWYDLFDWFHCGAP-MRXNPFEDSA-N 0 3 312.417 2.214 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001488878067 1092820077 /nfs/dbraw/zinc/82/00/77/1092820077.db2.gz BTNRPOCIHYRZHZ-IHRRRGAJSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC001489274886 1093012782 /nfs/dbraw/zinc/01/27/82/1093012782.db2.gz IVMFBGMBCLOZOZ-WBVHZDCISA-N 0 3 302.418 2.011 20 30 DEEDHN CC#CCN(CCCNC(=O)Cc1ccn(C(C)C)n1)C1CC1 ZINC001490378212 1093333325 /nfs/dbraw/zinc/33/33/25/1093333325.db2.gz APIQTYGBKSQUTP-UHFFFAOYSA-N 0 3 316.449 2.001 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC001490586623 1093432936 /nfs/dbraw/zinc/43/29/36/1093432936.db2.gz INTFAUAEFLKWMI-YOEHRIQHSA-N 0 3 322.412 2.189 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001490643690 1093441266 /nfs/dbraw/zinc/44/12/66/1093441266.db2.gz VLEGZHKJMVUQIB-PBHICJAKSA-N 0 3 316.470 2.274 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCOc2ccccc2)CC1 ZINC001490608259 1093445750 /nfs/dbraw/zinc/44/57/50/1093445750.db2.gz GACQZQFCGSUDLA-QGZVFWFLSA-N 0 3 312.413 2.059 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2ncc[nH]2)CC1 ZINC001490621927 1093450246 /nfs/dbraw/zinc/45/02/46/1093450246.db2.gz HWYUXNXIVWLQOH-UHFFFAOYSA-N 0 3 304.438 2.231 20 30 DEEDHN O=C(Cc1ccco1)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001490719242 1093479926 /nfs/dbraw/zinc/47/99/26/1093479926.db2.gz DJTRNAYJTHLNON-IBGZPJMESA-N 0 3 322.408 2.358 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)n1 ZINC001490786453 1093530135 /nfs/dbraw/zinc/53/01/35/1093530135.db2.gz PULWYAKCLWOUPA-YUELXQCFSA-N 0 3 302.422 2.362 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3ccc4n3CCC4)CC2)C1=O ZINC001273962058 1093565659 /nfs/dbraw/zinc/56/56/59/1093565659.db2.gz HUXJTOBZPKJQGA-UHFFFAOYSA-N 0 3 313.445 2.435 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)[C@H]1CCC=CCCC1 ZINC001274120167 1093806788 /nfs/dbraw/zinc/80/67/88/1093806788.db2.gz VVOHUDIJLKGMIN-VPRHHFCPSA-N 0 3 304.434 2.035 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001329549594 1148921083 /nfs/dbraw/zinc/92/10/83/1148921083.db2.gz LVCAVXVYUGNEEB-NSHDSACASA-N 0 3 304.419 2.374 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2oc(C)nc2C)CC1 ZINC001236593232 1138379335 /nfs/dbraw/zinc/37/93/35/1138379335.db2.gz ADRCMHXORVYJAO-UHFFFAOYSA-N 0 3 318.465 2.083 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC001278088668 1138593926 /nfs/dbraw/zinc/59/39/26/1138593926.db2.gz XTTZPZDZNLCHIA-UHFFFAOYSA-N 0 3 324.428 2.099 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2ccnc(C#N)c2)C[C@@H]1c1ccccc1 ZINC001237463022 1138641605 /nfs/dbraw/zinc/64/16/05/1138641605.db2.gz MMPRTSSJHUCTLN-MSOLQXFVSA-N 0 3 321.380 2.342 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001292735653 1138863397 /nfs/dbraw/zinc/86/33/97/1138863397.db2.gz DNYPQWXFEXCHKH-QAPCUYQASA-N 0 3 323.481 2.084 20 30 DEEDHN CCc1cc(CN2CCC3(C[C@H](O)CO3)CC2)ccc1C#N ZINC001238759898 1138872457 /nfs/dbraw/zinc/87/24/57/1138872457.db2.gz BMKYUQLVDVSAOL-KRWDZBQOSA-N 0 3 300.402 2.236 20 30 DEEDHN CCCCCCCCCOC(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239338312 1139023910 /nfs/dbraw/zinc/02/39/10/1139023910.db2.gz QCBJKFAQTMILJE-UONOGXRCSA-N 0 3 314.426 2.306 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001293790804 1139039479 /nfs/dbraw/zinc/03/94/79/1139039479.db2.gz DGKSRMAPSWBBAR-HOCLYGCPSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)NC1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001295398879 1139382221 /nfs/dbraw/zinc/38/22/21/1139382221.db2.gz UONNKYMGUYYUAS-GPANFISMSA-N 0 3 323.481 2.227 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(COC)CC1)C2 ZINC001278334106 1139842655 /nfs/dbraw/zinc/84/26/55/1139842655.db2.gz ATJWMGXBVOSKCB-GOSISDBHSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001297373268 1139864384 /nfs/dbraw/zinc/86/43/84/1139864384.db2.gz PZPPVIGEPRLZKP-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001491734921 1140290401 /nfs/dbraw/zinc/29/04/01/1140290401.db2.gz VTNOTRFISFNVGL-ROUUACIJSA-N 0 3 312.413 2.018 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001318424394 1140324820 /nfs/dbraw/zinc/32/48/20/1140324820.db2.gz OKARJFOFIZUMPC-IAGOWNOFSA-N 0 3 316.445 2.465 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@H](C)n2cccc2)C1 ZINC001318444575 1140332122 /nfs/dbraw/zinc/33/21/22/1140332122.db2.gz FZFHJPFOJORUNA-IRXDYDNUSA-N 0 3 319.449 2.175 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(CCOCC)C2)cc1 ZINC001318479602 1140343543 /nfs/dbraw/zinc/34/35/43/1140343543.db2.gz RSAICSYZQJYZNN-SFHVURJKSA-N 0 3 314.429 2.241 20 30 DEEDHN C=C(C)CC[NH2+][C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001318526135 1140359517 /nfs/dbraw/zinc/35/95/17/1140359517.db2.gz GCPHZJJRFPOCDE-GFCCVEGCSA-N 0 3 301.394 2.022 20 30 DEEDHN Cc1nocc1CNC[C@@](C)(NC(=O)C#CC(C)C)C1CC1 ZINC001318685276 1140385587 /nfs/dbraw/zinc/38/55/87/1140385587.db2.gz GJDNJRAILAWEBE-QGZVFWFLSA-N 0 3 303.406 2.017 20 30 DEEDHN C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001318697916 1140388085 /nfs/dbraw/zinc/38/80/85/1140388085.db2.gz FGFOAPGWHFSHOW-QGZVFWFLSA-N 0 3 313.405 2.022 20 30 DEEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(CCOC[C@@H]2CCCO2)C1 ZINC001278397648 1140528900 /nfs/dbraw/zinc/52/89/00/1140528900.db2.gz UQXOUJFDNFNHIV-FUHWJXTLSA-N 0 3 324.465 2.119 20 30 DEEDHN Cc1nocc1C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001278399345 1140540530 /nfs/dbraw/zinc/54/05/30/1140540530.db2.gz XDDGKCYZXHTBKS-PBHICJAKSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2ncccc2C)CCCC1 ZINC001319339976 1140552410 /nfs/dbraw/zinc/55/24/10/1140552410.db2.gz FJKXWATZEAUBPS-UHFFFAOYSA-N 0 3 317.433 2.111 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccn(CC)n2)[C@H](C)C1 ZINC001319682316 1140658315 /nfs/dbraw/zinc/65/83/15/1140658315.db2.gz LYRLMTFKSHLHOQ-NVXWUHKLSA-N 0 3 316.449 2.033 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cc(F)ccc1OC ZINC001320062485 1140817912 /nfs/dbraw/zinc/81/79/12/1140817912.db2.gz VZYDENLUZBWHPJ-UHFFFAOYSA-N 0 3 308.397 2.343 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1cnns1 ZINC001320150436 1140830000 /nfs/dbraw/zinc/83/00/00/1140830000.db2.gz BTIYSCKFTNNJOO-GXTWGEPZSA-N 0 3 308.451 2.269 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001320311072 1140846863 /nfs/dbraw/zinc/84/68/63/1140846863.db2.gz BBQNDDJMKDENNP-UONOGXRCSA-N 0 3 323.462 2.385 20 30 DEEDHN C[C@H]1CN(CCCCNc2cccc(CC#N)n2)C[C@H](C)O1 ZINC001320359646 1140855120 /nfs/dbraw/zinc/85/51/20/1140855120.db2.gz PXVPSCNRKNWHHO-GJZGRUSLSA-N 0 3 302.422 2.449 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001320427537 1140864434 /nfs/dbraw/zinc/86/44/34/1140864434.db2.gz GDMHBCUMZMUSJJ-HOTGVXAUSA-N 0 3 305.422 2.098 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2cncc(Cl)c2)C1 ZINC001278432713 1140865554 /nfs/dbraw/zinc/86/55/54/1140865554.db2.gz GZJCHRQGSLJKHQ-MRXNPFEDSA-N 0 3 323.824 2.132 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2ccn(CC)n2)C1 ZINC001320541274 1140877209 /nfs/dbraw/zinc/87/72/09/1140877209.db2.gz PBFZRHCRNNGTDG-CQSZACIVSA-N 0 3 304.438 2.244 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@@H](OC)C(C)C ZINC001320542007 1140877281 /nfs/dbraw/zinc/87/72/81/1140877281.db2.gz CMMWVSZOOYFBCA-NEPJUHHUSA-N 0 3 321.259 2.050 20 30 DEEDHN CO[C@@H](CNC/C=C\CNC(=O)C#CC(C)C)c1ccccc1 ZINC001321054364 1141043279 /nfs/dbraw/zinc/04/32/79/1141043279.db2.gz LNEJTMWDOXVUPX-ZEVQVBBLSA-N 0 3 314.429 2.296 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1cccc(C)c1Cl ZINC001321157443 1141069607 /nfs/dbraw/zinc/06/96/07/1141069607.db2.gz URYXURQUVFTZII-AATRIKPKSA-N 0 3 304.821 2.476 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001321173546 1141075500 /nfs/dbraw/zinc/07/55/00/1141075500.db2.gz GNYWOYSHONJKFG-LXXRFIIISA-N 0 3 314.429 2.185 20 30 DEEDHN C=C(Cl)CNC[C@@]1(C)CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC001278470293 1141100216 /nfs/dbraw/zinc/10/02/16/1141100216.db2.gz RUMYBALNXWVILI-OAHLLOKOSA-N 0 3 300.830 2.182 20 30 DEEDHN CCCCCCCCNC(=S)NC1CCN(CCO)CC1 ZINC001247171362 1141311688 /nfs/dbraw/zinc/31/16/88/1141311688.db2.gz ORTRNEOPWRUBLK-UHFFFAOYSA-N 0 3 315.527 2.268 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1cccc(NC(C)=O)c1 ZINC001321618499 1141317371 /nfs/dbraw/zinc/31/73/71/1141317371.db2.gz VVYHAZLTKLSZEE-CYBMUJFWSA-N 0 3 317.433 2.452 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1cc2c(cccc2C)o1 ZINC001321759648 1141338496 /nfs/dbraw/zinc/33/84/96/1141338496.db2.gz HSGNCDYTZBWKST-CQSZACIVSA-N 0 3 314.385 2.099 20 30 DEEDHN C#CCCCC(=O)N1CC[C@](C)(CN[C@H](C)c2cnccn2)C1 ZINC001278484766 1141348036 /nfs/dbraw/zinc/34/80/36/1141348036.db2.gz NGLVRZLHTYNOSB-CRAIPNDOSA-N 0 3 314.433 2.169 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1cnoc1C1CC1 ZINC001322033863 1141384760 /nfs/dbraw/zinc/38/47/60/1141384760.db2.gz DDXFGWFMHLGHFA-AWEZNQCLSA-N 0 3 323.396 2.312 20 30 DEEDHN N#Cc1ccc(-c2noc([C@@]34CN[C@@H](CO3)C4)n2)c2ccccc12 ZINC001247947565 1141640588 /nfs/dbraw/zinc/64/05/88/1141640588.db2.gz DFMNZTROVWFLSG-KZULUSFZSA-N 0 3 318.336 2.349 20 30 DEEDHN N#Cc1ccc(N2CCCN(Cc3ccc4n3CCC4)CC2)nc1 ZINC001248823775 1141821190 /nfs/dbraw/zinc/82/11/90/1141821190.db2.gz LBXGKUGNJUCRMY-UHFFFAOYSA-N 0 3 321.428 2.413 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001323336835 1141843430 /nfs/dbraw/zinc/84/34/30/1141843430.db2.gz TTWODNLEDLTVRT-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)COc1ccc(F)cc1 ZINC001323349974 1141844970 /nfs/dbraw/zinc/84/49/70/1141844970.db2.gz COKKHPFRHGXZIY-OAHLLOKOSA-N 0 3 306.381 2.361 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001323436459 1141853452 /nfs/dbraw/zinc/85/34/52/1141853452.db2.gz XCJJJVGJRUCCOC-QGZVFWFLSA-N 0 3 320.408 2.200 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H]1C ZINC001278533668 1142020788 /nfs/dbraw/zinc/02/07/88/1142020788.db2.gz XTDFLFYKPCXOAE-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NCCCC ZINC001324207096 1142029975 /nfs/dbraw/zinc/02/99/75/1142029975.db2.gz OERUJPSCOGFWCM-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CCC(n2cc(CC(=O)c3ccc(C#N)cc3)cn2)CC1 ZINC001250209327 1142096643 /nfs/dbraw/zinc/09/66/43/1142096643.db2.gz SJCRQEQYVRLKMA-UHFFFAOYSA-N 0 3 308.385 2.447 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCN([C@H]2CCN(CC=C)C2)CC1 ZINC001324560990 1142106118 /nfs/dbraw/zinc/10/61/18/1142106118.db2.gz SLDQXUKNZZCJFI-SFHVURJKSA-N 0 3 317.477 2.159 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2oc(C)nc2C)C1 ZINC001278560281 1142143610 /nfs/dbraw/zinc/14/36/10/1142143610.db2.gz YRBTVUJAEDCKGY-HZPDHXFCSA-N 0 3 317.433 2.469 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)CC2CC(F)(F)C2)C1 ZINC001324629763 1142164647 /nfs/dbraw/zinc/16/46/47/1142164647.db2.gz RQUZMPAGGABWEW-HNNXBMFYSA-N 0 3 316.392 2.205 20 30 DEEDHN CCCCCCCC[C@H](O)CN[C@@H]1COCCC12OCCO2 ZINC001252133963 1142651643 /nfs/dbraw/zinc/65/16/43/1142651643.db2.gz MOFBZANXHKEEFG-JKSUJKDBSA-N 0 3 315.454 2.220 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2cnn(C)c2C)C1 ZINC001278664385 1142706015 /nfs/dbraw/zinc/70/60/15/1142706015.db2.gz XSIUUQUYNRWOFP-GOSISDBHSA-N 0 3 318.465 2.065 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001337226807 1142713947 /nfs/dbraw/zinc/71/39/47/1142713947.db2.gz SHOLHYPTWSBSFG-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001337226803 1142713982 /nfs/dbraw/zinc/71/39/82/1142713982.db2.gz SHOLHYPTWSBSFG-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCOC[C@H](O)CN(Cc1cccc(OC)c1)[C@@H](C)COC ZINC001252470359 1142722733 /nfs/dbraw/zinc/72/27/33/1142722733.db2.gz KFPVPJUWFMJXRQ-DOTOQJQBSA-N 0 3 323.433 2.096 20 30 DEEDHN CCCCOC[C@H](O)CNC(=N)c1ccc2ccccc2n1 ZINC001252533663 1142754567 /nfs/dbraw/zinc/75/45/67/1142754567.db2.gz HDXAEVYGYFIJEK-CQSZACIVSA-N 0 3 301.390 2.118 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC001252621093 1142792350 /nfs/dbraw/zinc/79/23/50/1142792350.db2.gz WDXMPOCOLDAEQW-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN Cn1c(CCCCC#N)nnc1N1CCN(C2CCCC2)CC1 ZINC001338236139 1142840308 /nfs/dbraw/zinc/84/03/08/1142840308.db2.gz AIDQPUYYZLEIOJ-UHFFFAOYSA-N 0 3 316.453 2.116 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@H](NC(=O)NC)C1 ZINC001253242044 1142856978 /nfs/dbraw/zinc/85/69/78/1142856978.db2.gz HIMFPOGJSZQSJF-JKSUJKDBSA-N 0 3 311.470 2.267 20 30 DEEDHN C=CCCCCCC[C@H](O)CNCc1cncc(C(N)=O)c1 ZINC001253255420 1142857594 /nfs/dbraw/zinc/85/75/94/1142857594.db2.gz YHELJPZMYJREGE-INIZCTEOSA-N 0 3 305.422 2.158 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001339203729 1142981202 /nfs/dbraw/zinc/98/12/02/1142981202.db2.gz APZAIUWVTZXALZ-NRXISQOPSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001278747661 1143001825 /nfs/dbraw/zinc/00/18/25/1143001825.db2.gz RCDDJBRSMXVKDB-KGLIPLIRSA-N 0 3 318.408 2.045 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1nc2c(cccc2F)n1C ZINC001340089293 1143263054 /nfs/dbraw/zinc/26/30/54/1143263054.db2.gz CLBOFCGFSRTTKW-ZDUSSCGKSA-N 0 3 318.396 2.055 20 30 DEEDHN N#C[C@H]1CC[C@H](N2CCc3ncnc(N4CCCC4)c3CC2)C1 ZINC001254662879 1143305063 /nfs/dbraw/zinc/30/50/63/1143305063.db2.gz MAVLFDLPCLSHFK-GJZGRUSLSA-N 0 3 311.433 2.170 20 30 DEEDHN C=CCn1c(N2CCN([C@H](C)CC)CC2)nnc1[C@](C)(O)CC ZINC001340528434 1143365370 /nfs/dbraw/zinc/36/53/70/1143365370.db2.gz BZCXLLAQYVYQIT-RHSMWYFYSA-N 0 3 321.469 2.002 20 30 DEEDHN CC[C@@H](CC#N)NC1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001255160291 1143450287 /nfs/dbraw/zinc/45/02/87/1143450287.db2.gz HTIUYJPXNBPPLH-HNNXBMFYSA-N 0 3 310.401 2.445 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)SCC(=O)N2 ZINC001340914763 1143490883 /nfs/dbraw/zinc/49/08/83/1143490883.db2.gz BMMGJEZGCJFQDV-NSHDSACASA-N 0 3 305.403 2.353 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC001341545642 1143626540 /nfs/dbraw/zinc/62/65/40/1143626540.db2.gz RRRZAIGLEYTFCN-AWEZNQCLSA-N 0 3 306.406 2.394 20 30 DEEDHN CCCCOCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC001341786759 1143706773 /nfs/dbraw/zinc/70/67/73/1143706773.db2.gz IPMKHAJKTUZZNE-AWEZNQCLSA-N 0 3 304.346 2.159 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001341793784 1143708106 /nfs/dbraw/zinc/70/81/06/1143708106.db2.gz BHYSNLZFCMJYFX-GRYCIOLGSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCOC(C)(C)C1 ZINC001255543666 1143738446 /nfs/dbraw/zinc/73/84/46/1143738446.db2.gz WDEQZOVRSFZJRK-GDBMZVCRSA-N 0 3 319.449 2.480 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC001341998635 1143765219 /nfs/dbraw/zinc/76/52/19/1143765219.db2.gz DXMRJCAKMQVVQY-KGLIPLIRSA-N 0 3 304.390 2.319 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC001353236537 1151818762 /nfs/dbraw/zinc/81/87/62/1151818762.db2.gz FCNPITODUQZFOJ-OAHLLOKOSA-N 0 3 316.405 2.305 20 30 DEEDHN COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c(C)c1 ZINC001342111387 1143791675 /nfs/dbraw/zinc/79/16/75/1143791675.db2.gz OFKJFGMVSDRHLT-INIZCTEOSA-N 0 3 314.385 2.314 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc(C(C)(C)C)oc1C ZINC001278878857 1143800936 /nfs/dbraw/zinc/80/09/36/1143800936.db2.gz VKNNQBYAUQMWKB-AWEZNQCLSA-N 0 3 322.449 2.436 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC2(CCNC2=O)CC1 ZINC001342421038 1143817004 /nfs/dbraw/zinc/81/70/04/1143817004.db2.gz FJINPWKFYVGFAS-OAHLLOKOSA-N 0 3 323.481 2.193 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001479247308 1143817165 /nfs/dbraw/zinc/81/71/65/1143817165.db2.gz UFQWLPICAJBURM-CQSZACIVSA-N 0 3 302.422 2.400 20 30 DEEDHN Cn1nc(Br)cc1C(=O)C(C#N)c1cccc(F)n1 ZINC001342670461 1143829689 /nfs/dbraw/zinc/82/96/89/1143829689.db2.gz ACYXZKFAVCQLHA-ZETCQYMHSA-N 0 3 323.125 2.207 20 30 DEEDHN CCC(=CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2)CC ZINC001278947791 1143855001 /nfs/dbraw/zinc/85/50/01/1143855001.db2.gz LWCVHJAMTFSRRB-KSZLIROESA-N 0 3 318.461 2.352 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC[C@@H](C)OC)C2)CC1 ZINC001278964185 1143866754 /nfs/dbraw/zinc/86/67/54/1143866754.db2.gz OGDDZPYHGGXILK-SJLPKXTDSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257095146 1143887221 /nfs/dbraw/zinc/88/72/21/1143887221.db2.gz SNLAHHVAHZQYIY-JYYAWHABSA-N 0 3 319.449 2.478 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)CCOC ZINC001279048393 1143954335 /nfs/dbraw/zinc/95/43/35/1143954335.db2.gz BMPHEWPZLYLZGQ-OSYLJGHBSA-N 0 3 308.466 2.453 20 30 DEEDHN C#CCCN(CCNC(=O)c1ccc(C)c(C)c1)CCOC ZINC001279056232 1143958373 /nfs/dbraw/zinc/95/83/73/1143958373.db2.gz VICNYHLFUBJYLW-UHFFFAOYSA-N 0 3 302.418 2.005 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)CN(C)CCC)C1 ZINC001299564813 1144071034 /nfs/dbraw/zinc/07/10/34/1144071034.db2.gz RZVATBRRLFRBJG-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCS(=O)(=O)N1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC001259928885 1144159645 /nfs/dbraw/zinc/15/96/45/1144159645.db2.gz LTEAYOUQTPVNKI-KRWDZBQOSA-N 0 3 320.458 2.243 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H](CF)C1 ZINC001262941753 1144343586 /nfs/dbraw/zinc/34/35/86/1144343586.db2.gz SXBLBSYLZFRZMR-GJZGRUSLSA-N 0 3 321.444 2.459 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC001263075125 1144353957 /nfs/dbraw/zinc/35/39/57/1144353957.db2.gz GFHCEDZGZXSCOP-FZMZJTMJSA-N 0 3 301.390 2.042 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(C(=O)N(C)CCCC)CC1 ZINC001263076326 1144353979 /nfs/dbraw/zinc/35/39/79/1144353979.db2.gz VIKCOWIRSUMZBP-INIZCTEOSA-N 0 3 323.481 2.167 20 30 DEEDHN C=CCCCN(CC)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC001263098856 1144355687 /nfs/dbraw/zinc/35/56/87/1144355687.db2.gz QEELQAUILCTMRR-INIZCTEOSA-N 0 3 310.486 2.010 20 30 DEEDHN C=CCOc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cc1OC ZINC001263201516 1144360652 /nfs/dbraw/zinc/36/06/52/1144360652.db2.gz HFJFIFUCYRDVIR-RDBSUJKOSA-N 0 3 318.417 2.471 20 30 DEEDHN C=C(C)Cn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)O ZINC001263309573 1144367724 /nfs/dbraw/zinc/36/77/24/1144367724.db2.gz NVYFIFXZQHAOMI-KBPBESRZSA-N 0 3 321.469 2.001 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001263805832 1144396793 /nfs/dbraw/zinc/39/67/93/1144396793.db2.gz WZYZCHABMCIABL-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001263817531 1144399367 /nfs/dbraw/zinc/39/93/67/1144399367.db2.gz XMDBPDPGIHANEU-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](OCC)C3CC3)C2)CC1 ZINC001263936677 1144426584 /nfs/dbraw/zinc/42/65/84/1144426584.db2.gz JNNRZLYWNVSWBD-NVXWUHKLSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccncn1 ZINC001263959644 1144433161 /nfs/dbraw/zinc/43/31/61/1144433161.db2.gz XYCFUSCIIAUVAK-SWLSCSKDSA-N 0 3 322.840 2.450 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnc(COC)s1 ZINC001264188285 1144501155 /nfs/dbraw/zinc/50/11/55/1144501155.db2.gz CAGLWWRROTVKHJ-ZDUSSCGKSA-N 0 3 323.462 2.402 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001264668957 1144589037 /nfs/dbraw/zinc/58/90/37/1144589037.db2.gz DBILFEWZUZHLPT-UHFFFAOYSA-N 0 3 308.466 2.099 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)C(CC)CC ZINC001265079980 1144638898 /nfs/dbraw/zinc/63/88/98/1144638898.db2.gz MZOKSKJESPZJIB-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc2cnccc2o1)C1CC1 ZINC001265167445 1144659713 /nfs/dbraw/zinc/65/97/13/1144659713.db2.gz PCCZYJIUDUJJPE-UHFFFAOYSA-N 0 3 311.385 2.435 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)COc2ccc(OC)cc2)CC1 ZINC001265200112 1144665141 /nfs/dbraw/zinc/66/51/41/1144665141.db2.gz JHXJWQVDUIARMX-UHFFFAOYSA-N 0 3 318.417 2.183 20 30 DEEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001265207682 1144666873 /nfs/dbraw/zinc/66/68/73/1144666873.db2.gz KTOUIPGJOXYVPM-CQSZACIVSA-N 0 3 319.453 2.223 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001265210298 1144667147 /nfs/dbraw/zinc/66/71/47/1144667147.db2.gz JBCRFAGXFPSSQU-MJGOQNOKSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COCc2ccc(C)cc2)C1 ZINC001265216856 1144668808 /nfs/dbraw/zinc/66/88/08/1144668808.db2.gz PWGAKWJOUPBTPT-GOSISDBHSA-N 0 3 314.429 2.116 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)C[C@H](C)n2cccc2)C1 ZINC001265230707 1144672492 /nfs/dbraw/zinc/67/24/92/1144672492.db2.gz KKHNXVYGPCVTIO-IRXDYDNUSA-N 0 3 319.449 2.222 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001265263068 1144677061 /nfs/dbraw/zinc/67/70/61/1144677061.db2.gz RJYXTKPEILOZAA-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)Cc2ccco2)CC1 ZINC001265334169 1144694854 /nfs/dbraw/zinc/69/48/54/1144694854.db2.gz LIEDPWPFAJPXFW-GOEBONIOSA-N 0 3 300.402 2.062 20 30 DEEDHN CC#CCN1CCC(N(CCC)C(=O)c2cc(CC)[nH]n2)CC1 ZINC001265337439 1144695434 /nfs/dbraw/zinc/69/54/34/1144695434.db2.gz KEBDCVPDJAAVAU-UHFFFAOYSA-N 0 3 316.449 2.312 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H](NCc1cccc(Cl)n1)C1CC1 ZINC001265354609 1144697418 /nfs/dbraw/zinc/69/74/18/1144697418.db2.gz RDRBTMYBHMNQGM-OAHLLOKOSA-N 0 3 317.820 2.133 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](NCc1ccnc(Cl)c1)C1CC1 ZINC001265354302 1144697573 /nfs/dbraw/zinc/69/75/73/1144697573.db2.gz OQKJVRKMKFCFEM-HNNXBMFYSA-N 0 3 319.836 2.379 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](NCc2ccnn2C)C2CC2)CC1 ZINC001265370680 1144698977 /nfs/dbraw/zinc/69/89/77/1144698977.db2.gz VYVQDUZULNBGAH-QGZVFWFLSA-N 0 3 316.449 2.151 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001265489314 1144706636 /nfs/dbraw/zinc/70/66/36/1144706636.db2.gz AOXFLCDDARPSEY-BASLNEPJSA-N 0 3 300.377 2.070 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC001265584420 1144714789 /nfs/dbraw/zinc/71/47/89/1144714789.db2.gz MYLMRLIJMWNEFA-INIZCTEOSA-N 0 3 318.465 2.413 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001265597420 1144716539 /nfs/dbraw/zinc/71/65/39/1144716539.db2.gz YABLFPAQLWIADT-CABCVRRESA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001265673662 1144725884 /nfs/dbraw/zinc/72/58/84/1144725884.db2.gz JTYKWDNQVMIHAF-KBPBESRZSA-N 0 3 318.421 2.121 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001265693678 1144729479 /nfs/dbraw/zinc/72/94/79/1144729479.db2.gz MEBMJLGIMMTRQD-AWEZNQCLSA-N 0 3 323.462 2.207 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001265896057 1144752412 /nfs/dbraw/zinc/75/24/12/1144752412.db2.gz PPSJRVFYEMLQLG-ZWKOTPCHSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC001266047888 1144800193 /nfs/dbraw/zinc/80/01/93/1144800193.db2.gz NXSLQMVMRLYUQQ-UONOGXRCSA-N 0 3 323.462 2.171 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(F)cc(C)cc1F)C1CC1 ZINC001266148043 1144809829 /nfs/dbraw/zinc/80/98/29/1144809829.db2.gz MEUMCQIYZHNXCA-UHFFFAOYSA-N 0 3 306.356 2.491 20 30 DEEDHN C#CCN(CCCNC(=O)COc1ccc(C)cc1C)C1CC1 ZINC001266174781 1144811863 /nfs/dbraw/zinc/81/18/63/1144811863.db2.gz UGCBBJNDSGNREI-UHFFFAOYSA-N 0 3 314.429 2.286 20 30 DEEDHN Cc1nsc(C)c1CNC1CC(N(C)C(=O)C#CC(C)C)C1 ZINC001279229824 1144819560 /nfs/dbraw/zinc/81/95/60/1144819560.db2.gz RDBWVYAGLJKYFU-UHFFFAOYSA-N 0 3 319.474 2.498 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC001279590466 1144825209 /nfs/dbraw/zinc/82/52/09/1144825209.db2.gz BLXBOPXGJKGVAR-ZDUSSCGKSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cnsn1 ZINC001280315373 1144835569 /nfs/dbraw/zinc/83/55/69/1144835569.db2.gz NXLMGKWFIRHQRH-UHFFFAOYSA-N 0 3 316.430 2.476 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCc1ccccc1CN(C)CC(=C)C ZINC001280324753 1144835722 /nfs/dbraw/zinc/83/57/22/1144835722.db2.gz LLOSZPIHPDHEOM-MRXNPFEDSA-N 0 3 314.429 2.349 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(Cl)c(C)c2)CCO1 ZINC001280631913 1144847635 /nfs/dbraw/zinc/84/76/35/1144847635.db2.gz ZXQYHFYAOLCPSI-OAHLLOKOSA-N 0 3 320.820 2.102 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001280729848 1144851326 /nfs/dbraw/zinc/85/13/26/1144851326.db2.gz UJSSCYXNWWZIGQ-BDXSIMOUSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CN(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001281019582 1144868790 /nfs/dbraw/zinc/86/87/90/1144868790.db2.gz FODJRBBWPKSVRD-GOEBONIOSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccoc2)C[C@H]1NCC#Cc1ccccc1 ZINC001281375520 1144885807 /nfs/dbraw/zinc/88/58/07/1144885807.db2.gz XOZREMXWYXXSNM-MAUKXSAKSA-N 0 3 308.381 2.381 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001281389207 1144886516 /nfs/dbraw/zinc/88/65/16/1144886516.db2.gz CULHHFCMSPVVES-DZGCQCFKSA-N 0 3 319.836 2.475 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)/C(C)=C\CC)CCO2 ZINC001281778012 1144913737 /nfs/dbraw/zinc/91/37/37/1144913737.db2.gz RSLQUBGLPLWYOG-APSNUPSMSA-N 0 3 304.434 2.059 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)C(C)(C)C1 ZINC001282822082 1145171455 /nfs/dbraw/zinc/17/14/55/1145171455.db2.gz KXUUZMVMPBMTNX-LSDHHAIUSA-N 0 3 304.438 2.155 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CCOCC2)C(C)(C)C1 ZINC001282831288 1145173935 /nfs/dbraw/zinc/17/39/35/1145173935.db2.gz DNKWNFJARSFEEO-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001283546891 1145513008 /nfs/dbraw/zinc/51/30/08/1145513008.db2.gz ZXLAIXSQAYTPPG-MRXNPFEDSA-N 0 3 318.465 2.349 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)CCc1ccc(C)cc1 ZINC001283638428 1145556013 /nfs/dbraw/zinc/55/60/13/1145556013.db2.gz BJNMWNMYIJTEHY-KRWDZBQOSA-N 0 3 316.445 2.014 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001283689342 1145587932 /nfs/dbraw/zinc/58/79/32/1145587932.db2.gz AHABNFABRDSZJX-SNPRPXQTSA-N 0 3 323.462 2.061 20 30 DEEDHN CCN1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C(C)(C)C1 ZINC001364974940 1145724775 /nfs/dbraw/zinc/72/47/75/1145724775.db2.gz HYTFZOFSJOZETE-INIZCTEOSA-N 0 3 311.429 2.436 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001284030283 1145759444 /nfs/dbraw/zinc/75/94/44/1145759444.db2.gz GFMNUNOKODEUKX-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC3(C(F)(F)F)CC3)CCC[C@@H]12 ZINC001284055935 1145776800 /nfs/dbraw/zinc/77/68/00/1145776800.db2.gz DBPLEFKRGTWKQB-IUODEOHRSA-N 0 3 314.351 2.465 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@H](NCc2c(C)noc2CC)C1 ZINC001316631154 1145782561 /nfs/dbraw/zinc/78/25/61/1145782561.db2.gz DUPWOGFLXHSQQE-SHTZXODSSA-N 0 3 317.433 2.333 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CN(C)CCCCCC)[C@@H]1C ZINC001284130213 1145804706 /nfs/dbraw/zinc/80/47/06/1145804706.db2.gz GUCRGMQPMLTMDS-IRXDYDNUSA-N 0 3 307.482 2.101 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C#CC(C)C)C1 ZINC001316631523 1145810615 /nfs/dbraw/zinc/81/06/15/1145810615.db2.gz YNQMRTVEVRENTF-JOCQHMNTSA-N 0 3 313.239 2.039 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001284331389 1145838070 /nfs/dbraw/zinc/83/80/70/1145838070.db2.gz ITNAWTCBMRQIEC-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNC(=O)CN(C)CCC)CC1 ZINC001284445189 1145856319 /nfs/dbraw/zinc/85/63/19/1145856319.db2.gz HRKSKIRZSBYCGG-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](CNCc1ccnn1C)C(C)(C)C ZINC001284619093 1145880572 /nfs/dbraw/zinc/88/05/72/1145880572.db2.gz PCJAHYNZJRMTPT-INIZCTEOSA-N 0 3 318.465 2.234 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001284719731 1145894889 /nfs/dbraw/zinc/89/48/89/1145894889.db2.gz QCYIVDTZHCMEPN-INIZCTEOSA-N 0 3 320.477 2.455 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCCCO2)c(F)c1 ZINC001285005367 1146006920 /nfs/dbraw/zinc/00/69/20/1146006920.db2.gz TZXAPEDXUMHQAL-INIZCTEOSA-N 0 3 306.381 2.287 20 30 DEEDHN CC(C)=CC(=O)N(C)CCOCCNCc1ccc(C#N)s1 ZINC001333191723 1146623548 /nfs/dbraw/zinc/62/35/48/1146623548.db2.gz LUIGGGRTUMEMSA-UHFFFAOYSA-N 0 3 321.446 2.151 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001287883533 1146738594 /nfs/dbraw/zinc/73/85/94/1146738594.db2.gz XBIINYFXYQNJMP-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001366015855 1147009534 /nfs/dbraw/zinc/00/95/34/1147009534.db2.gz ZXKLAAJTCAOKTB-CZUORRHYSA-N 0 3 315.392 2.456 20 30 DEEDHN CC(C)OCC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001366030284 1147018297 /nfs/dbraw/zinc/01/82/97/1147018297.db2.gz SJYFFKLOZKPQTG-HNNXBMFYSA-N 0 3 321.446 2.029 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnoc2C(C)C)C1 ZINC001491956047 1147018954 /nfs/dbraw/zinc/01/89/54/1147018954.db2.gz GSJIMWSCWHTEIT-CQSZACIVSA-N 0 3 303.406 2.358 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2n1CCCC2 ZINC001492073964 1147062597 /nfs/dbraw/zinc/06/25/97/1147062597.db2.gz VEGJHWBLVSMLES-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)CC(C)C)cc1C#N ZINC001366249360 1147162965 /nfs/dbraw/zinc/16/29/65/1147162965.db2.gz PVZPMCIHWJLHHZ-CYBMUJFWSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C2CC2)n(C)n1 ZINC001366459277 1147293892 /nfs/dbraw/zinc/29/38/92/1147293892.db2.gz GEBJNNGOVUHVFD-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001317333119 1147350983 /nfs/dbraw/zinc/35/09/83/1147350983.db2.gz BOLRJBKLDDEODS-ZIAGYGMSSA-N 0 3 319.453 2.223 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)Cc1cccc(OC)c1C ZINC001366602621 1147386535 /nfs/dbraw/zinc/38/65/35/1147386535.db2.gz HDDNRTIXCZJLNP-ZDUSSCGKSA-N 0 3 303.406 2.101 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001317493223 1147519471 /nfs/dbraw/zinc/51/94/71/1147519471.db2.gz UBHQCEFLKIPWGA-GOSISDBHSA-N 0 3 302.418 2.316 20 30 DEEDHN C=C(Cl)CN(CC)CCCNC(=O)[C@@H]1CCCCN1CC ZINC001316910526 1147572417 /nfs/dbraw/zinc/57/24/17/1147572417.db2.gz AACZAUWSQLPEPT-HNNXBMFYSA-N 0 3 315.889 2.442 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CCCC(F)(F)F)C1 ZINC001316746024 1147593806 /nfs/dbraw/zinc/59/38/06/1147593806.db2.gz NACAJUVRBLQORH-CYBMUJFWSA-N 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C=C[C@@H](CC)CC(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001317334257 1147692346 /nfs/dbraw/zinc/69/23/46/1147692346.db2.gz QNWILXLIRUWUSH-HOTGVXAUSA-N 0 3 318.465 2.269 20 30 DEEDHN Cc1cc(CN(C)CCC2CCN(C(=O)[C@@H](C)C#N)CC2)on1 ZINC001367443989 1147694644 /nfs/dbraw/zinc/69/46/44/1147694644.db2.gz WHQHJGOCUYTOFR-ZDUSSCGKSA-N 0 3 318.421 2.203 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(CCC)c2C)C1 ZINC001317381986 1147699760 /nfs/dbraw/zinc/69/97/60/1147699760.db2.gz PTUNIJGUAFGCGS-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H](O)C(C)C ZINC001317420292 1147704225 /nfs/dbraw/zinc/70/42/25/1147704225.db2.gz AQAWEFWURUHZRM-ZIAGYGMSSA-N 0 3 302.846 2.117 20 30 DEEDHN C#CCCCC(=O)NCCN(C)Cc1ccc(-n2cccn2)cc1 ZINC001317445342 1147709684 /nfs/dbraw/zinc/70/96/84/1147709684.db2.gz TXNLZOZSINOTKO-UHFFFAOYSA-N 0 3 324.428 2.224 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001317445737 1147709716 /nfs/dbraw/zinc/70/97/16/1147709716.db2.gz 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ZINC001318292943 1147808009 /nfs/dbraw/zinc/80/80/09/1147808009.db2.gz YECYFZHREBSLHA-HNNXBMFYSA-N 0 3 306.356 2.111 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001367975489 1147811972 /nfs/dbraw/zinc/81/19/72/1147811972.db2.gz DHJPFKQROHZHGR-BXUZGUMPSA-N 0 3 301.365 2.092 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001318376703 1147817108 /nfs/dbraw/zinc/81/71/08/1147817108.db2.gz PPWAWSWZZQMJTF-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN CC1(C(=O)NCC2(NCc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001368002244 1147824543 /nfs/dbraw/zinc/82/45/43/1147824543.db2.gz RANKDIPVKDVFKJ-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC001324864373 1147854043 /nfs/dbraw/zinc/85/40/43/1147854043.db2.gz KTJWQRHCDZKVND-UHFFFAOYSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cnn(CCC)c2C)CC1 ZINC001324891711 1147855722 /nfs/dbraw/zinc/85/57/22/1147855722.db2.gz AAEMINWVBCJXDU-UHFFFAOYSA-N 0 3 316.449 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2cccnc2)CCOCC1 ZINC001325014862 1147866600 /nfs/dbraw/zinc/86/66/00/1147866600.db2.gz KSSMLTYWEOCKFA-UHFFFAOYSA-N 0 3 317.433 2.049 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccccc2CCC)C1 ZINC001325110321 1147876473 /nfs/dbraw/zinc/87/64/73/1147876473.db2.gz KXLQNWNEERSQNA-IBGZPJMESA-N 0 3 316.445 2.382 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1ccc(F)cc1 ZINC001325219743 1147885237 /nfs/dbraw/zinc/88/52/37/1147885237.db2.gz BEQBMCPLBDYUCH-RISCZKNCSA-N 0 3 307.369 2.267 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]([C@@H](C)NCc2ccn(CC)n2)C1 ZINC001325397148 1147899540 /nfs/dbraw/zinc/89/95/40/1147899540.db2.gz OPYKYQQIQKIYMH-HZPDHXFCSA-N 0 3 316.449 2.033 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001325562521 1147950620 /nfs/dbraw/zinc/95/06/20/1147950620.db2.gz SXCCRICEIWJTBE-CABCVRRESA-N 0 3 318.465 2.207 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001325881795 1148013245 /nfs/dbraw/zinc/01/32/45/1148013245.db2.gz 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Cc1[nH]nc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000278549970 214229242 /nfs/dbraw/zinc/22/92/42/214229242.db2.gz GNZLKVNOURIWFD-HNNXBMFYSA-N 0 3 323.400 2.441 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NC[C@H]3CCSC3)C2=O)cc1 ZINC000278775634 214392732 /nfs/dbraw/zinc/39/27/32/214392732.db2.gz PDDPTEWYWOMBOB-ZBFHGGJFSA-N 0 3 315.442 2.396 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000278767943 214387526 /nfs/dbraw/zinc/38/75/26/214387526.db2.gz WSJCGKHLKKPDBL-AEFFLSMTSA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCC[C@H](CC)[NH2+]CC[N-]S(=O)(=O)c1cccs1 ZINC000090604090 185306157 /nfs/dbraw/zinc/30/61/57/185306157.db2.gz VMIRJFUXNIREIB-LBPRGKRZSA-N 0 3 302.465 2.361 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cn3ccnc23)CC1 ZINC000625322579 365728669 /nfs/dbraw/zinc/72/86/69/365728669.db2.gz HTUPPEFZJZXFGF-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)CSc3ccc(C#N)cc3)C2)C1 ZINC000292336458 529801330 /nfs/dbraw/zinc/80/13/30/529801330.db2.gz UPHILLQUHHGTJF-QGZVFWFLSA-N 0 3 315.442 2.205 20 30 DEEDHN CN(CCOc1ccccc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424060186 529927265 /nfs/dbraw/zinc/92/72/65/529927265.db2.gz HCELYDYGWHIPTQ-CYBMUJFWSA-N 0 3 309.797 2.198 20 30 DEEDHN CN1CCCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000411150624 530053983 /nfs/dbraw/zinc/05/39/83/530053983.db2.gz ARELPOYELIICLO-UHFFFAOYSA-N 0 3 308.223 2.458 20 30 DEEDHN CN1CCN(CCNC(=O)c2cc(C(C)(C)C)on2)CC1(C)C ZINC000330405561 530071788 /nfs/dbraw/zinc/07/17/88/530071788.db2.gz HYLCNNIDLDDGKC-UHFFFAOYSA-N 0 3 322.453 2.303 20 30 DEEDHN CN(CC1(O)CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281476827 282383815 /nfs/dbraw/zinc/38/38/15/282383815.db2.gz HANLTDMUWZKPBI-INIZCTEOSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCC)n2)CC1 ZINC000129030044 539488105 /nfs/dbraw/zinc/48/81/05/539488105.db2.gz PZCOCNNWDSPNHW-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H](n2cccn2)C1 ZINC000329842785 404469012 /nfs/dbraw/zinc/46/90/12/404469012.db2.gz XDAKWTMUJKGUEB-HOTGVXAUSA-N 0 3 317.437 2.061 20 30 DEEDHN [O-]C(=[NH+]C[C@@H]1CCCCN1C1CC1)N1CC[C@H](n2cccn2)C1 ZINC000329842785 404469018 /nfs/dbraw/zinc/46/90/18/404469018.db2.gz XDAKWTMUJKGUEB-HOTGVXAUSA-N 0 3 317.437 2.061 20 30 DEEDHN C[C@H]1OCC[C@]12CN(CCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000595466690 358455973 /nfs/dbraw/zinc/45/59/73/358455973.db2.gz KGMVMLROVPROLE-RKVPGOIHSA-N 0 3 300.402 2.369 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1Cc1ccccc1 ZINC000152594437 186088024 /nfs/dbraw/zinc/08/80/24/186088024.db2.gz MIGBZQSDXFYRBI-XJKSGUPXSA-N 0 3 308.385 2.279 20 30 DEEDHN C#CCOc1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000189975433 186257808 /nfs/dbraw/zinc/25/78/08/186257808.db2.gz TVOBJBMKSZBOSR-UHFFFAOYSA-N 0 3 310.401 2.202 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCC(=O)N(C)C)C(C)C ZINC000266852165 186359081 /nfs/dbraw/zinc/35/90/81/186359081.db2.gz REAKSVOQTLLENF-INIZCTEOSA-N 0 3 323.481 2.060 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCc1ccc(C#N)cc1 ZINC000595480429 358460381 /nfs/dbraw/zinc/46/03/81/358460381.db2.gz JUXCONGUFSDWQX-MRXNPFEDSA-N 0 3 313.445 2.286 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)CCN1C ZINC000329980786 539932808 /nfs/dbraw/zinc/93/28/08/539932808.db2.gz MAJAWOGXUXDCTR-HIFRSBDPSA-N 0 3 317.437 2.132 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000595537657 358476863 /nfs/dbraw/zinc/47/68/63/358476863.db2.gz FAMUPWWXMGGGNO-CZUORRHYSA-N 0 3 300.406 2.403 20 30 DEEDHN CCCCN(C)CCNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454630920 535219931 /nfs/dbraw/zinc/21/99/31/535219931.db2.gz LSRIVVSILWNSHY-UHFFFAOYSA-N 0 3 306.385 2.228 20 30 DEEDHN COc1ccc(CNCCC(=O)NC2CCCCC2)cc1C#N ZINC000174294955 198316048 /nfs/dbraw/zinc/31/60/48/198316048.db2.gz ABWHMENURLKDAP-UHFFFAOYSA-N 0 3 315.417 2.495 20 30 DEEDHN COc1ccc(CNCCC(=O)N2CCCCCC2)cc1C#N ZINC000174325946 198320051 /nfs/dbraw/zinc/32/00/51/198320051.db2.gz CKXRRGSWYWVNNX-UHFFFAOYSA-N 0 3 315.417 2.449 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000027747913 354095698 /nfs/dbraw/zinc/09/56/98/354095698.db2.gz SNLSKMKIQFDPEP-CABCVRRESA-N 0 3 315.417 2.316 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000032732483 354153708 /nfs/dbraw/zinc/15/37/08/354153708.db2.gz NYETZGYZAJNWQA-CABCVRRESA-N 0 3 315.417 2.316 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCC#Cc1ccccc1 ZINC000056786634 354543688 /nfs/dbraw/zinc/54/36/88/354543688.db2.gz PEGCLXJRIJIQNH-IAGOWNOFSA-N 0 3 313.445 2.458 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000066308748 354708213 /nfs/dbraw/zinc/70/82/13/354708213.db2.gz YROBWYQEJTVGMK-WBVHZDCISA-N 0 3 304.434 2.257 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000069766810 354876739 /nfs/dbraw/zinc/87/67/39/354876739.db2.gz WAQYNCPRZOALSA-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000339155269 283058744 /nfs/dbraw/zinc/05/87/44/283058744.db2.gz QVCQYYGKJJOJFB-FCGDIQPGSA-N 0 3 311.429 2.264 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCS1 ZINC000075193113 355071957 /nfs/dbraw/zinc/07/19/57/355071957.db2.gz UVOLSUAOGFDAFE-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000074918463 355059223 /nfs/dbraw/zinc/05/92/23/355059223.db2.gz QCMDBTRLSHOAFC-CZUORRHYSA-N 0 3 300.406 2.355 20 30 DEEDHN CCC1(O)CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000075859151 355110021 /nfs/dbraw/zinc/11/00/21/355110021.db2.gz HAQCYXKIAGBVIA-UHFFFAOYSA-N 0 3 304.390 2.183 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(C1)CCOCC2 ZINC000076158816 355131109 /nfs/dbraw/zinc/13/11/09/355131109.db2.gz CZVJCDFTGZLXEF-OAHLLOKOSA-N 0 3 319.449 2.220 20 30 DEEDHN CN(C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cn1 ZINC000080914074 355392335 /nfs/dbraw/zinc/39/23/35/355392335.db2.gz REZQPTCHAGDBOU-DLBZAZTESA-N 0 3 323.400 2.059 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000083027249 355461781 /nfs/dbraw/zinc/46/17/81/355461781.db2.gz MAVBFBPWYROAES-GASCZTMLSA-N 0 3 315.417 2.177 20 30 DEEDHN COCCO[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000179351999 356022189 /nfs/dbraw/zinc/02/21/89/356022189.db2.gz ISOMXGZVQYAMFR-QGZVFWFLSA-N 0 3 304.390 2.064 20 30 DEEDHN CCc1ccc([C@H](CNC(=O)NC[C@H](C)C#N)N(C)C)cc1 ZINC000182349411 356122725 /nfs/dbraw/zinc/12/27/25/356122725.db2.gz MLBZOFUPWMEUTP-CJNGLKHVSA-N 0 3 302.422 2.311 20 30 DEEDHN N#CC(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1ccccn1 ZINC000183482117 356173344 /nfs/dbraw/zinc/17/33/44/356173344.db2.gz UVLQCVGCLCYBJD-ZIAGYGMSSA-N 0 3 309.325 2.134 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000182621082 356134256 /nfs/dbraw/zinc/13/42/56/356134256.db2.gz XCMJSUMTWRTFAF-ZDUSSCGKSA-N 0 3 320.462 2.419 20 30 DEEDHN C[C@@H](NCC(=O)NCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185804253 356211787 /nfs/dbraw/zinc/21/17/87/356211787.db2.gz FOFNHKTZSBIYLI-GHMZBOCLSA-N 0 3 313.323 2.427 20 30 DEEDHN C[C@@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000230678583 356284479 /nfs/dbraw/zinc/28/44/79/356284479.db2.gz WOAMTIJLAHYQQZ-HIFRSBDPSA-N 0 3 306.431 2.358 20 30 DEEDHN C[C@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000230678587 356284581 /nfs/dbraw/zinc/28/45/81/356284581.db2.gz WOAMTIJLAHYQQZ-ZFWWWQNUSA-N 0 3 306.431 2.358 20 30 DEEDHN CC(C)C1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000232665346 356285993 /nfs/dbraw/zinc/28/59/93/356285993.db2.gz JMECPCWNRGWDLA-UHFFFAOYSA-N 0 3 306.431 2.358 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000270450610 356353226 /nfs/dbraw/zinc/35/32/26/356353226.db2.gz KWQYEDLPHCCBDA-IAGOWNOFSA-N 0 3 303.381 2.123 20 30 DEEDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290691074 356378939 /nfs/dbraw/zinc/37/89/39/356378939.db2.gz WBPVDBYPAYBZHM-RFAUZJTJSA-N 0 3 324.340 2.326 20 30 DEEDHN N#Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccncc3)CC2)c1 ZINC000302231474 283190707 /nfs/dbraw/zinc/19/07/07/283190707.db2.gz YRJRLURJXQDVKX-UHFFFAOYSA-N 0 3 309.329 2.188 20 30 DEEDHN C=C[C@@H](C(=O)OC)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382581692 356676963 /nfs/dbraw/zinc/67/69/63/356676963.db2.gz NDNHXAAABBRAIV-RDJZCZTQSA-N 0 3 302.418 2.310 20 30 DEEDHN Cn1cc(C(C)(C)NCCC(=O)Nc2ccccc2C#N)cn1 ZINC000578736160 356863860 /nfs/dbraw/zinc/86/38/60/356863860.db2.gz DDUQFMQRUXGQEJ-UHFFFAOYSA-N 0 3 311.389 2.145 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000578906370 356890804 /nfs/dbraw/zinc/89/08/04/356890804.db2.gz NUCSAYJZPMKFHO-UHFFFAOYSA-N 0 3 323.481 2.230 20 30 DEEDHN CN1CCN(Cc2cnc3c(C#N)cnn3c2)C2(CCCCC2)C1 ZINC000579241620 356945933 /nfs/dbraw/zinc/94/59/33/356945933.db2.gz WXJMXTRCBRUOHX-UHFFFAOYSA-N 0 3 324.432 2.051 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(C#N)ccc3F)[C@H]2C1 ZINC000581848001 357254626 /nfs/dbraw/zinc/25/46/26/357254626.db2.gz IHYVXAVWPZGXRM-ZVZYQTTQSA-N 0 3 315.392 2.434 20 30 DEEDHN CCCN(CCN1CCCCCC1)[C@H](C)C(=O)N(C)CCC#N ZINC000411739374 283258495 /nfs/dbraw/zinc/25/84/95/283258495.db2.gz WMHDEGJTZCXBIF-QGZVFWFLSA-N 0 3 322.497 2.335 20 30 DEEDHN N#Cc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000589259235 357459767 /nfs/dbraw/zinc/45/97/67/357459767.db2.gz XKEWXPWOEMDRPG-UHFFFAOYSA-N 0 3 320.396 2.348 20 30 DEEDHN CC[C@@H](C)N[C@H](CNC(=O)c1cccc(C#N)n1)c1ccco1 ZINC000589521170 357478255 /nfs/dbraw/zinc/47/82/55/357478255.db2.gz KMGZMQZZJNUSHR-IUODEOHRSA-N 0 3 312.373 2.405 20 30 DEEDHN CO[C@H](CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000591373539 357716048 /nfs/dbraw/zinc/71/60/48/357716048.db2.gz VSSYMLMUBZHZGB-IAGOWNOFSA-N 0 3 313.401 2.068 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCSc2c(F)cccc21 ZINC000591241229 357694108 /nfs/dbraw/zinc/69/41/08/357694108.db2.gz PJUFQQJKVAEMPT-DOMZBBRYSA-N 0 3 323.437 2.159 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866530 357770721 /nfs/dbraw/zinc/77/07/21/357770721.db2.gz BMNGDPSLBPIFBC-JKSUJKDBSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc(C(=O)NC3CC3)cn2)CC1 ZINC000592108918 357832040 /nfs/dbraw/zinc/83/20/40/357832040.db2.gz FKWJWJCVNOTBDT-UHFFFAOYSA-N 0 3 314.433 2.426 20 30 DEEDHN Cc1cccc(C)c1NC(=O)CCCN1CC[C@@](O)(CC#N)C1 ZINC000592147555 357841259 /nfs/dbraw/zinc/84/12/59/357841259.db2.gz MBBJOSVCOUKOIL-SFHVURJKSA-N 0 3 315.417 2.373 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179369979 199023367 /nfs/dbraw/zinc/02/33/67/199023367.db2.gz NEESYWDEAYDEDO-GHMZBOCLSA-N 0 3 309.435 2.416 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000179371756 199023873 /nfs/dbraw/zinc/02/38/73/199023873.db2.gz ODPKNLAAEAYZPD-SJLPKXTDSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000666984768 540375086 /nfs/dbraw/zinc/37/50/86/540375086.db2.gz PRHXRIMJTAHYGN-SJORKVTESA-N 0 3 302.418 2.123 20 30 DEEDHN CC[C@@H](C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000593462759 358084593 /nfs/dbraw/zinc/08/45/93/358084593.db2.gz YQSSUXMWYXPABO-AWEZNQCLSA-N 0 3 309.479 2.404 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000666984767 540374848 /nfs/dbraw/zinc/37/48/48/540374848.db2.gz PRHXRIMJTAHYGN-IRXDYDNUSA-N 0 3 302.418 2.123 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000666984766 540374918 /nfs/dbraw/zinc/37/49/18/540374918.db2.gz PRHXRIMJTAHYGN-IAGOWNOFSA-N 0 3 302.418 2.123 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CN1C1CC1 ZINC000408422116 291138619 /nfs/dbraw/zinc/13/86/19/291138619.db2.gz DYGBPNBJZPTIQX-PPWQZUPISA-N 0 3 304.438 2.241 20 30 DEEDHN CC#CCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000180441825 199159047 /nfs/dbraw/zinc/15/90/47/199159047.db2.gz KSVXXNJOGMOVEW-UHFFFAOYSA-N 0 3 314.433 2.353 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000594286385 358238957 /nfs/dbraw/zinc/23/89/57/358238957.db2.gz YDNFTMDIGXZBJI-KDOFPFPSSA-N 0 3 311.429 2.337 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000594317697 358242386 /nfs/dbraw/zinc/24/23/86/358242386.db2.gz DDGSDACMDSFPKC-HBUWYVDXSA-N 0 3 311.429 2.336 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@@H]2c2cccnc2)cc1 ZINC000594421478 358265124 /nfs/dbraw/zinc/26/51/24/358265124.db2.gz ZEPRBGBFVNNMMI-KURKYZTESA-N 0 3 316.364 2.308 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000594433598 358268817 /nfs/dbraw/zinc/26/88/17/358268817.db2.gz PONBFXHPFJQYPQ-UONOGXRCSA-N 0 3 317.389 2.204 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)Nc2ccnn2CCN(C)C)C1 ZINC000667152329 540403842 /nfs/dbraw/zinc/40/38/42/540403842.db2.gz KJNYZZPTHAEQSD-CQSZACIVSA-N 0 3 305.426 2.265 20 30 DEEDHN COc1ccc(N2C[C@H](N[C@H]3CCC[C@@H](C#N)C3)CC2=O)cc1 ZINC000595070406 358386725 /nfs/dbraw/zinc/38/67/25/358386725.db2.gz URFADTQSHOVMMU-QLFBSQMISA-N 0 3 313.401 2.472 20 30 DEEDHN N#Cc1ccc(CCN2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000595289115 358412352 /nfs/dbraw/zinc/41/23/52/358412352.db2.gz MHGFIQGEWSNFCP-UHFFFAOYSA-N 0 3 311.429 2.435 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000595340422 358426095 /nfs/dbraw/zinc/42/60/95/358426095.db2.gz SWEQAEACFOKFPF-OALUTQOASA-N 0 3 312.461 2.352 20 30 DEEDHN C=CCN(CC(=O)N1CCC[C@@H](C(=O)OCC)C1)C(C)(C)C ZINC000595763589 358543458 /nfs/dbraw/zinc/54/34/58/358543458.db2.gz RBHMJSGGPYZKLX-CQSZACIVSA-N 0 3 310.438 2.075 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC(CC#N)CC1 ZINC000595790366 358550168 /nfs/dbraw/zinc/55/01/68/358550168.db2.gz ZWWNSUZDZPSYFA-HNNXBMFYSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1ccn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1 ZINC000596332300 358668750 /nfs/dbraw/zinc/66/87/50/358668750.db2.gz XJWVBGGLKWDIGT-SFHVURJKSA-N 0 3 323.396 2.011 20 30 DEEDHN N#Cc1ccn(C[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1 ZINC000596332299 358668964 /nfs/dbraw/zinc/66/89/64/358668964.db2.gz XJWVBGGLKWDIGT-GOSISDBHSA-N 0 3 323.396 2.011 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618850101 363616390 /nfs/dbraw/zinc/61/63/90/363616390.db2.gz VGQRTHZFDJVTDL-DOTOQJQBSA-N 0 3 312.417 2.281 20 30 DEEDHN Cc1noc(C)c1CO[C@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598606042 359259102 /nfs/dbraw/zinc/25/91/02/359259102.db2.gz YPIQAYBYJYLEIT-CABCVRRESA-N 0 3 321.421 2.183 20 30 DEEDHN CCCCN(C)C(=O)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585632 359250003 /nfs/dbraw/zinc/25/00/03/359250003.db2.gz HQAOSQGSEQQKLA-INIZCTEOSA-N 0 3 323.481 2.258 20 30 DEEDHN Cc1ccccc1CN1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598584292 359250594 /nfs/dbraw/zinc/25/05/94/359250594.db2.gz GAZSJJNRXPYJAK-SFHVURJKSA-N 0 3 315.461 2.413 20 30 DEEDHN CCN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000598584438 359250642 /nfs/dbraw/zinc/25/06/42/359250642.db2.gz LYUPDFNVDGZSKH-LSDHHAIUSA-N 0 3 318.417 2.449 20 30 DEEDHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598587402 359251837 /nfs/dbraw/zinc/25/18/37/359251837.db2.gz AAQUKDNEXZQFFC-LSDHHAIUSA-N 0 3 304.438 2.475 20 30 DEEDHN COC[C@H](Cc1ccccc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598614006 359260626 /nfs/dbraw/zinc/26/06/26/359260626.db2.gz AKMSVZFCGYUVEP-IRXDYDNUSA-N 0 3 304.434 2.477 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1cccnc1)C(C)(C)CO ZINC000598620092 359263312 /nfs/dbraw/zinc/26/33/12/359263312.db2.gz YHQHQVBYBGSFDI-CABCVRRESA-N 0 3 305.422 2.032 20 30 DEEDHN Cn1ncc2c1CC(C)(C)CN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598628799 359266268 /nfs/dbraw/zinc/26/62/68/359266268.db2.gz SFLCMHSSLCMVHZ-CQSZACIVSA-N 0 3 304.438 2.105 20 30 DEEDHN Cn1ncc2c1CC(C)(C)CN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598628798 359266468 /nfs/dbraw/zinc/26/64/68/359266468.db2.gz SFLCMHSSLCMVHZ-AWEZNQCLSA-N 0 3 304.438 2.105 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCn2cncc2C1 ZINC000598949984 359364378 /nfs/dbraw/zinc/36/43/78/359364378.db2.gz YTNZSWQHAIRHSC-HZPDHXFCSA-N 0 3 308.385 2.087 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000667361942 540442292 /nfs/dbraw/zinc/44/22/92/540442292.db2.gz SXUZDFDDVQJXRJ-WMZOPIPTSA-N 0 3 302.418 2.094 20 30 DEEDHN C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)N1CCC(C)CC1 ZINC000428008765 237060308 /nfs/dbraw/zinc/06/03/08/237060308.db2.gz FRXBCZZXBMZNJV-GFCCVEGCSA-N 0 3 320.824 2.457 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000188084693 200191157 /nfs/dbraw/zinc/19/11/57/200191157.db2.gz GCGMUZPUPUFYDR-OAHLLOKOSA-N 0 3 311.385 2.177 20 30 DEEDHN Cc1nocc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000601019281 359896320 /nfs/dbraw/zinc/89/63/20/359896320.db2.gz FGPRDVAMIPAZSS-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN CC(C)(C)CN(CCC#N)S(=O)(=O)CCCN1CCCC1 ZINC000601338435 360012599 /nfs/dbraw/zinc/01/25/99/360012599.db2.gz VHDOABWTOBIKCH-UHFFFAOYSA-N 0 3 315.483 2.064 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189141739 200355963 /nfs/dbraw/zinc/35/59/63/200355963.db2.gz UNNYEFHTKQYXBS-QZTJIDSGSA-N 0 3 300.402 2.483 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)NCC(C)(C)C#N)C2)cc1 ZINC000602291736 360331850 /nfs/dbraw/zinc/33/18/50/360331850.db2.gz WQLTVWCIIXQWHV-MRXNPFEDSA-N 0 3 314.433 2.418 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCC(=O)NC1CCCCC1 ZINC000602536289 360422449 /nfs/dbraw/zinc/42/24/49/360422449.db2.gz AHUQYLYRZJIGLQ-AWEZNQCLSA-N 0 3 307.438 2.124 20 30 DEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cccc(C#N)n1 ZINC000602653210 360477513 /nfs/dbraw/zinc/47/75/13/360477513.db2.gz NIWHSKMHZUSFJE-KSSFIOAISA-N 0 3 323.396 2.463 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000602633247 360468359 /nfs/dbraw/zinc/46/83/59/360468359.db2.gz XJZFSAALFIFBBL-PBHICJAKSA-N 0 3 320.408 2.418 20 30 DEEDHN CNC(=O)CC1(CNCc2cccc(C#N)n2)CCCCC1 ZINC000602717597 360515056 /nfs/dbraw/zinc/51/50/56/360515056.db2.gz HPMOQWLDFPFGNF-UHFFFAOYSA-N 0 3 300.406 2.129 20 30 DEEDHN CCN(C[C@@H](C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602770830 360545884 /nfs/dbraw/zinc/54/58/84/360545884.db2.gz YKXIAQKPHCINOO-FUHWJXTLSA-N 0 3 301.434 2.105 20 30 DEEDHN N#Cc1cccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1F ZINC000602893365 360613763 /nfs/dbraw/zinc/61/37/63/360613763.db2.gz UZWOHISDBHRXSJ-NVXWUHKLSA-N 0 3 318.392 2.497 20 30 DEEDHN CCOC(=O)c1cnn(C2CCN(CC3(CC#N)CC3)CC2)c1 ZINC000602837042 360581186 /nfs/dbraw/zinc/58/11/86/360581186.db2.gz SDLKBUCUPGQFTB-UHFFFAOYSA-N 0 3 316.405 2.391 20 30 DEEDHN N#Cc1cc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1F ZINC000602891787 360613063 /nfs/dbraw/zinc/61/30/63/360613063.db2.gz PCXKULNHVPIKCZ-IRXDYDNUSA-N 0 3 318.392 2.497 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000668988270 540763233 /nfs/dbraw/zinc/76/32/33/540763233.db2.gz UAOSMAZXTWXLOC-AYBZRNKSSA-N 0 3 316.445 2.435 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)C1 ZINC000442855005 238085542 /nfs/dbraw/zinc/08/55/42/238085542.db2.gz PGZHNMBXMBXFCD-KWCYVHTRSA-N 0 3 305.809 2.266 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000603078310 360692058 /nfs/dbraw/zinc/69/20/58/360692058.db2.gz LZRLZHPJRIXZDM-HNNXBMFYSA-N 0 3 300.337 2.175 20 30 DEEDHN COCCOCc1cc(C#N)ccc1NC1CCN(C)CC1 ZINC000603268645 360771652 /nfs/dbraw/zinc/77/16/52/360771652.db2.gz IVUBRRJCZKUGMU-UHFFFAOYSA-N 0 3 303.406 2.227 20 30 DEEDHN N#Cc1cnn(-c2ccccc2)c1N1CC[C@H](N2CCCC2)C1 ZINC000603286375 360778050 /nfs/dbraw/zinc/77/80/50/360778050.db2.gz GESNXROGSRSMIS-KRWDZBQOSA-N 0 3 307.401 2.418 20 30 DEEDHN N#CC(C(=O)c1ccoc1CC(N)=O)c1ccc2ccccc2n1 ZINC000671746212 541006934 /nfs/dbraw/zinc/00/69/34/541006934.db2.gz WUEPHNZZFSPLLG-CYBMUJFWSA-N 0 3 319.320 2.346 20 30 DEEDHN C[C@H]1CCCC[C@H]1OCCNCc1cnc2c(C#N)cnn2c1 ZINC000609006684 361276053 /nfs/dbraw/zinc/27/60/53/361276053.db2.gz QGWCQEPVJVDXJY-XJKSGUPXSA-N 0 3 313.405 2.286 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000609266641 361296283 /nfs/dbraw/zinc/29/62/83/361296283.db2.gz TWXNYGYEIPANAT-UHFFFAOYSA-N 0 3 318.377 2.017 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN([C@H]3CCCOC3)CC2)c1 ZINC000610569989 361423596 /nfs/dbraw/zinc/42/35/96/361423596.db2.gz LHOZEWCJQNDWQX-KRWDZBQOSA-N 0 3 313.401 2.388 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000610653959 361437564 /nfs/dbraw/zinc/43/75/64/361437564.db2.gz ZKQAYROYFJQNFT-KCQAQPDRSA-N 0 3 313.401 2.067 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000611205184 361548370 /nfs/dbraw/zinc/54/83/70/361548370.db2.gz LVNYBUAHJWGOKQ-GXTWGEPZSA-N 0 3 319.430 2.083 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000611302543 361577316 /nfs/dbraw/zinc/57/73/16/361577316.db2.gz ZASQDPRLYRMACS-QGZVFWFLSA-N 0 3 315.417 2.212 20 30 DEEDHN CN1CCN(CCNc2ncc(C#N)cc2Cl)CC1(C)C ZINC000281534968 216367161 /nfs/dbraw/zinc/36/71/61/216367161.db2.gz APMWNSPUFXCVBI-UHFFFAOYSA-N 0 3 307.829 2.045 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000611705020 361661511 /nfs/dbraw/zinc/66/15/11/361661511.db2.gz QZCKMTQLCLKGKW-PKOBYXMFSA-N 0 3 316.445 2.294 20 30 DEEDHN COc1cc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1C#N ZINC000281562449 216385473 /nfs/dbraw/zinc/38/54/73/216385473.db2.gz CAXBCQRGYUFYJB-AWEZNQCLSA-N 0 3 301.390 2.056 20 30 DEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccc(Br)cn1 ZINC000619465637 363805016 /nfs/dbraw/zinc/80/50/16/363805016.db2.gz UXTSVAUTUSUMKD-LLVKDONJSA-N 0 3 323.238 2.483 20 30 DEEDHN C[C@H](C#N)CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000619669580 363851201 /nfs/dbraw/zinc/85/12/01/363851201.db2.gz MSCGBPCHWWCZOO-OAHLLOKOSA-N 0 3 306.454 2.492 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(CCC)C1 ZINC000619897285 363894944 /nfs/dbraw/zinc/89/49/44/363894944.db2.gz JJAMVWROXQVEHT-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN CN1CC=C(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000271814689 209238626 /nfs/dbraw/zinc/23/86/26/209238626.db2.gz FPNGWOIJFFBJQB-UHFFFAOYSA-N 0 3 313.401 2.094 20 30 DEEDHN C=CCOc1ccc(CNCCN2CC[C@H](O)C2)cc1Cl ZINC000623836980 365191666 /nfs/dbraw/zinc/19/16/66/365191666.db2.gz SGQGBUJVHLGAEC-AWEZNQCLSA-N 0 3 310.825 2.061 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000677478729 541594786 /nfs/dbraw/zinc/59/47/86/541594786.db2.gz DAFTUFXFQKUIHE-QGZVFWFLSA-N 0 3 320.408 2.091 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000630941831 367923864 /nfs/dbraw/zinc/92/38/64/367923864.db2.gz GPMHJLSVKUJBRM-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN CO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000451549566 243095547 /nfs/dbraw/zinc/09/55/47/243095547.db2.gz UAPQXNQWKZCDAZ-WCQYABFASA-N 0 3 307.419 2.305 20 30 DEEDHN C=C(C)[C@H](CO)N(C)CCCOc1cc(OC)cc(OC)c1 ZINC000678049381 541668821 /nfs/dbraw/zinc/66/88/21/541668821.db2.gz JKQJFHHTGSSMCN-KRWDZBQOSA-N 0 3 309.406 2.342 20 30 DEEDHN N#Cc1ccccc1OCCN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451715576 243348868 /nfs/dbraw/zinc/34/88/68/243348868.db2.gz UHHAOLWVVRNHBS-OIISXLGYSA-N 0 3 300.402 2.420 20 30 DEEDHN C=CCCOCCCCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000678857170 541776735 /nfs/dbraw/zinc/77/67/35/541776735.db2.gz JAYQUKIJGWOUGO-QGZVFWFLSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOc1ccc(CN(C)CC(C)(CO)CO)cc1Cl ZINC000093502522 193259403 /nfs/dbraw/zinc/25/94/03/193259403.db2.gz DYOKPOHGFFAXOQ-UHFFFAOYSA-N 0 3 313.825 2.328 20 30 DEEDHN C=CCc1cc(CN2CCC[C@@H](CC(N)=O)C2)cc(OC)c1O ZINC000093808717 193310297 /nfs/dbraw/zinc/31/02/97/193310297.db2.gz PPXXBMXMFUMBMO-ZDUSSCGKSA-N 0 3 318.417 2.217 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453423735 245126445 /nfs/dbraw/zinc/12/64/45/245126445.db2.gz FPJZQHHLDDHIJX-GJZGRUSLSA-N 0 3 319.453 2.236 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)C[C@H]1N(C)C ZINC000455899281 246837249 /nfs/dbraw/zinc/83/72/49/246837249.db2.gz AFBFXRKPBYPAEH-CABCVRRESA-N 0 3 318.446 2.262 20 30 DEEDHN C=CCC[C@H](NC(=O)c1ccc(CN(C)C)cc1)C(=O)OCC ZINC000456621198 247319236 /nfs/dbraw/zinc/31/92/36/247319236.db2.gz DUYSXHWIURVBPW-INIZCTEOSA-N 0 3 318.417 2.376 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCO[C@H](C(C)C)C2)CC1 ZINC000458328930 248263830 /nfs/dbraw/zinc/26/38/30/248263830.db2.gz YINPNCDYZTYXQY-KRWDZBQOSA-N 0 3 323.481 2.483 20 30 DEEDHN N#Cc1ccc([C@H](NCCC2Cc3ccccc3C2)C(N)=O)cc1 ZINC000159721451 291657811 /nfs/dbraw/zinc/65/78/11/291657811.db2.gz DRYXEXAMMPIKGD-IBGZPJMESA-N 0 3 319.408 2.479 20 30 DEEDHN CCN(CC)C[C@H](C)NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000360026446 284725032 /nfs/dbraw/zinc/72/50/32/284725032.db2.gz YUPGTJJJMRVCBI-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN N#Cc1ccc(OCCN2CCC(C3OCCO3)CC2)cc1 ZINC000110083728 194308659 /nfs/dbraw/zinc/30/86/59/194308659.db2.gz WXLZKVZWPYLOAZ-UHFFFAOYSA-N 0 3 302.374 2.022 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)N2CCC(C#N)CC2)c1 ZINC000057991137 184065477 /nfs/dbraw/zinc/06/54/77/184065477.db2.gz MMTWYJKFCZUNGU-UHFFFAOYSA-N 0 3 300.406 2.193 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2C2CCOCC2)c1 ZINC000538626746 285042131 /nfs/dbraw/zinc/04/21/31/285042131.db2.gz CODZOTINEWLDDR-KRWDZBQOSA-N 0 3 313.401 2.388 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(CC)o2)CC1 ZINC000492569798 533045893 /nfs/dbraw/zinc/04/58/93/533045893.db2.gz VFBKSXZOAXRSMU-HJWRWDBZSA-N 0 3 300.402 2.459 20 30 DEEDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C#N)[nH]1 ZINC000120181900 195113360 /nfs/dbraw/zinc/11/33/60/195113360.db2.gz QHGKJNCGZFDBQO-UHFFFAOYSA-N 0 3 302.403 2.152 20 30 DEEDHN COc1cc(OC)cc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000192878904 533085929 /nfs/dbraw/zinc/08/59/29/533085929.db2.gz JUPZAZJYHHMOIY-DXCKQFNASA-N 0 3 304.390 2.409 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000357021607 533111232 /nfs/dbraw/zinc/11/12/32/533111232.db2.gz RBWAKPOUODGUOA-NSHDSACASA-N 0 3 322.206 2.257 20 30 DEEDHN COC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000541596299 285175105 /nfs/dbraw/zinc/17/51/05/285175105.db2.gz REGONUDAJNQEJJ-AWEZNQCLSA-N 0 3 309.797 2.411 20 30 DEEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(C#N)c1 ZINC000157242407 197172399 /nfs/dbraw/zinc/17/23/99/197172399.db2.gz ISADXFWTDVBBOM-UHFFFAOYSA-N 0 3 323.396 2.468 20 30 DEEDHN COCCOC[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000266575266 533134364 /nfs/dbraw/zinc/13/43/64/533134364.db2.gz FMRDPVZTPBQDGC-INIZCTEOSA-N 0 3 304.390 2.074 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CC)[C@@H](CC)Cc1ccccc1 ZINC000120552020 195188261 /nfs/dbraw/zinc/18/82/61/195188261.db2.gz VEKCOGOVGSBMAV-INIZCTEOSA-N 0 3 317.433 2.341 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000289708880 221170332 /nfs/dbraw/zinc/17/03/32/221170332.db2.gz YLMWRHPCSQMMMQ-OAHLLOKOSA-N 0 3 321.808 2.291 20 30 DEEDHN CS[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1N(C)C ZINC000544619317 285364640 /nfs/dbraw/zinc/36/46/40/285364640.db2.gz GVSTXAJCEFRNLP-KGLIPLIRSA-N 0 3 323.849 2.329 20 30 DEEDHN C[C@H](CC#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194630075 533611911 /nfs/dbraw/zinc/61/19/11/533611911.db2.gz ZLPHRRAOECDVAT-UKRRQHHQSA-N 0 3 303.381 2.456 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000684796298 542665811 /nfs/dbraw/zinc/66/58/11/542665811.db2.gz PCBBMLPTHCNDPY-XIRDDKMYSA-N 0 3 321.465 2.284 20 30 DEEDHN Cn1cc(CNCc2ccc(CN3CCOCC3)cc2)cc1C#N ZINC000359977271 133155774 /nfs/dbraw/zinc/15/57/74/133155774.db2.gz RMSPSVRNJYPTGF-UHFFFAOYSA-N 0 3 324.428 2.019 20 30 DEEDHN N#Cc1ccc([C@H](NCCc2c[nH]c3ccccc23)C(N)=O)cc1 ZINC000360060011 133159740 /nfs/dbraw/zinc/15/97/40/133159740.db2.gz KHOFIOCFMPKCIP-SFHVURJKSA-N 0 3 318.380 2.398 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1F ZINC000563803690 292073848 /nfs/dbraw/zinc/07/38/48/292073848.db2.gz PEQUUXRYFZRCOV-WBVHZDCISA-N 0 3 318.392 2.355 20 30 DEEDHN C[C@@](O)(CNCc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000564985189 292125021 /nfs/dbraw/zinc/12/50/21/292125021.db2.gz FDBVFTVPXQTTFD-QGZVFWFLSA-N 0 3 313.405 2.022 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccn1 ZINC000193270408 145084624 /nfs/dbraw/zinc/08/46/24/145084624.db2.gz FDPNVOMIVGHRCI-SFHVURJKSA-N 0 3 320.396 2.348 20 30 DEEDHN N#Cc1ccsc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000371252952 148078119 /nfs/dbraw/zinc/07/81/19/148078119.db2.gz FZQZVXPWCAPZFL-ZSHCYNCHSA-N 0 3 323.421 2.480 20 30 DEEDHN CN1C[C@@H](NC(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000371356395 148092797 /nfs/dbraw/zinc/09/27/97/148092797.db2.gz XKRKKVZCJYZYJK-QZTJIDSGSA-N 0 3 305.381 2.386 20 30 DEEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)CCCC#N)c1ccccc1 ZINC000111339484 401711996 /nfs/dbraw/zinc/71/19/96/401711996.db2.gz ZMSVCZSZCRMHJB-CQSZACIVSA-N 0 3 323.462 2.339 20 30 DEEDHN C[C@H](CC#N)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111587092 401717658 /nfs/dbraw/zinc/71/76/58/401717658.db2.gz YSEXNZTWPQNQQV-MRXNPFEDSA-N 0 3 314.433 2.007 20 30 DEEDHN CCOCCON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000127808248 401750927 /nfs/dbraw/zinc/75/09/27/401750927.db2.gz XDUXDKVRZPYQRV-UHFFFAOYSA-N 0 3 305.422 2.346 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1C1CC1 ZINC000127928233 401756137 /nfs/dbraw/zinc/75/61/37/401756137.db2.gz JLCTXQMACLYMFF-CJNGLKHVSA-N 0 3 312.417 2.325 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccccc2)CCOCC1 ZINC000075732748 401767737 /nfs/dbraw/zinc/76/77/37/401767737.db2.gz KRBZPHPIXMKBBA-HNNXBMFYSA-N 0 3 302.418 2.015 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2cccc(C=O)c2)CC1 ZINC000113174192 401769305 /nfs/dbraw/zinc/76/93/05/401769305.db2.gz JROSSIDOTXWEMP-UHFFFAOYSA-N 0 3 316.401 2.035 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(CC)nn2C)CC1 ZINC000116510704 401853665 /nfs/dbraw/zinc/85/36/65/401853665.db2.gz KHBYHFRRMWIRBH-UHFFFAOYSA-N 0 3 305.426 2.145 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnc(CC)nc2)CC1 ZINC000119086273 401924954 /nfs/dbraw/zinc/92/49/54/401924954.db2.gz OJFRXUCHEHXKNL-UHFFFAOYSA-N 0 3 303.410 2.201 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000080761757 401892481 /nfs/dbraw/zinc/89/24/81/401892481.db2.gz RMFMZIOOCFJMLR-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN N#CCOc1cccc(CC(=O)NCCN2CCCCCC2)c1 ZINC000089708275 401958687 /nfs/dbraw/zinc/95/86/87/401958687.db2.gz MSAHWIIGGOXLCA-UHFFFAOYSA-N 0 3 315.417 2.124 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]([C@H](C)O)C1 ZINC000089931095 401974556 /nfs/dbraw/zinc/97/45/56/401974556.db2.gz CYHMSJVSTXMCDZ-DZGCQCFKSA-N 0 3 304.390 2.038 20 30 DEEDHN N#Cc1ccccc1OCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000135525040 401942969 /nfs/dbraw/zinc/94/29/69/401942969.db2.gz OUVWKXNRRAZYQV-GOEBONIOSA-N 0 3 304.415 2.143 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093064767 402011034 /nfs/dbraw/zinc/01/10/34/402011034.db2.gz DUFMJQIOSLRZFO-OAHLLOKOSA-N 0 3 317.433 2.395 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@H](C(=O)NC)C2)cc1 ZINC000093360967 402014552 /nfs/dbraw/zinc/01/45/52/402014552.db2.gz QMZQAIYZVIVELO-INIZCTEOSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1 ZINC000093808947 402020351 /nfs/dbraw/zinc/02/03/51/402020351.db2.gz SUCAOYDJDGWRRS-MRXNPFEDSA-N 0 3 300.402 2.176 20 30 DEEDHN C#CCN(Cc1c(C)nn(CCC(=O)OC)c1C)C1CCCC1 ZINC000093819772 402021303 /nfs/dbraw/zinc/02/13/03/402021303.db2.gz NQXILRCSQRKQKW-UHFFFAOYSA-N 0 3 317.433 2.441 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)CC1 ZINC000151636067 402047476 /nfs/dbraw/zinc/04/74/76/402047476.db2.gz CNFQTKRRLYDYMM-UHFFFAOYSA-N 0 3 302.422 2.282 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000048707350 402007122 /nfs/dbraw/zinc/00/71/22/402007122.db2.gz YAFSHAOLCCWEFL-UHFFFAOYSA-N 0 3 322.206 2.128 20 30 DEEDHN Cc1cccc([C@@H]2CCCN2CCC(=O)N(C)CCC#N)n1 ZINC000092801845 402009177 /nfs/dbraw/zinc/00/91/77/402009177.db2.gz JOBIHOIPKHTQEY-INIZCTEOSA-N 0 3 300.406 2.289 20 30 DEEDHN N#CC(C(=O)c1cccc2[nH]c(=O)oc21)c1nc2ccccc2[nH]1 ZINC000152017065 402071159 /nfs/dbraw/zinc/07/11/59/402071159.db2.gz SHJOWUKMUFICRI-SNVBAGLBSA-N 0 3 318.292 2.487 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000153330642 402139533 /nfs/dbraw/zinc/13/95/33/402139533.db2.gz RXZTXRUSCKKDEJ-GOSISDBHSA-N 0 3 309.413 2.493 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)CC(C)(C)CN1CCOCC1 ZINC000124101766 402164070 /nfs/dbraw/zinc/16/40/70/402164070.db2.gz WTEHONUHBHHZOR-UHFFFAOYSA-N 0 3 301.434 2.348 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000155137837 402246606 /nfs/dbraw/zinc/24/66/06/402246606.db2.gz SIOYHGPVCHRTFN-WMZOPIPTSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCCOc1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000126111574 402265090 /nfs/dbraw/zinc/26/50/90/402265090.db2.gz BKLIVJSYYQNCPT-UHFFFAOYSA-N 0 3 301.386 2.428 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 ZINC000106263204 402212396 /nfs/dbraw/zinc/21/23/96/402212396.db2.gz WJJPCZVJSCUHHN-UHFFFAOYSA-N 0 3 312.417 2.398 20 30 DEEDHN C#CCN(Cc1cccc(S(=O)(=O)N(C)C)c1)C1CCCC1 ZINC000155782801 402267080 /nfs/dbraw/zinc/26/70/80/402267080.db2.gz XAFAAPNXINFGMH-UHFFFAOYSA-N 0 3 320.458 2.315 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000126196755 402268781 /nfs/dbraw/zinc/26/87/81/402268781.db2.gz WTEUTDLSYZUMQL-XVKBUMFYSA-N 0 3 303.406 2.079 20 30 DEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176083995 402277105 /nfs/dbraw/zinc/27/71/05/402277105.db2.gz ZBZINDDXRUWRTM-CYBMUJFWSA-N 0 3 303.406 2.076 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccnc2Br)CC1 ZINC000176574729 402320718 /nfs/dbraw/zinc/32/07/18/402320718.db2.gz SNXIWZHUYQCJPG-UHFFFAOYSA-N 0 3 324.222 2.224 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(F)cc2)s1 ZINC000176954911 402354091 /nfs/dbraw/zinc/35/40/91/402354091.db2.gz DBGBGSKZVSVJTJ-GFCCVEGCSA-N 0 3 306.362 2.288 20 30 DEEDHN COc1cc(OC)cc([C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176972035 402355238 /nfs/dbraw/zinc/35/52/38/402355238.db2.gz GLMXXYIPTCQVIF-INIZCTEOSA-N 0 3 318.398 2.460 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)CCOC)CC1 ZINC000185630516 402365924 /nfs/dbraw/zinc/36/59/24/402365924.db2.gz UUXMRAYBFYANME-UHFFFAOYSA-N 0 3 311.470 2.389 20 30 DEEDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185856587 402383647 /nfs/dbraw/zinc/38/36/47/402383647.db2.gz NMJMHUAJBPLGEY-BBRMVZONSA-N 0 3 306.431 2.403 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1C(C)(C)O ZINC000162583669 402424988 /nfs/dbraw/zinc/42/49/88/402424988.db2.gz JFKOVOJBEZXGAB-INIZCTEOSA-N 0 3 304.390 2.181 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1(N(C)C)CCC1 ZINC000186986105 402475806 /nfs/dbraw/zinc/47/58/06/402475806.db2.gz RIZHUYJXACTOSH-HNNXBMFYSA-N 0 3 320.481 2.134 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000187309972 402493130 /nfs/dbraw/zinc/49/31/30/402493130.db2.gz VMXFJHPCMCBBDD-SJORKVTESA-N 0 3 306.450 2.042 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C[C@H](C)O)C1CCCCC1 ZINC000245883035 402494236 /nfs/dbraw/zinc/49/42/36/402494236.db2.gz BSKXOQHSTGKQMN-GJZGRUSLSA-N 0 3 309.454 2.010 20 30 DEEDHN C=C(C)CS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000189551165 402545340 /nfs/dbraw/zinc/54/53/40/402545340.db2.gz PJWOOVPHTYFZGE-UHFFFAOYSA-N 0 3 322.474 2.394 20 30 DEEDHN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1CC(C)(C)O ZINC000189885423 402564296 /nfs/dbraw/zinc/56/42/96/402564296.db2.gz JQLODDXZKPARNM-ZDUSSCGKSA-N 0 3 321.852 2.489 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCCOc2cccc(C#N)c2)C1(C)C ZINC000190017390 402570844 /nfs/dbraw/zinc/57/08/44/402570844.db2.gz HWPMMZCBQSRHHT-SJLPKXTDSA-N 0 3 318.417 2.093 20 30 DEEDHN Cc1nc2n(n1)C[C@H](NCc1ccc(N(C)CCC#N)cc1)CC2 ZINC000170715685 402516743 /nfs/dbraw/zinc/51/67/43/402516743.db2.gz HIYPEEDRVXHUNH-MRXNPFEDSA-N 0 3 324.432 2.041 20 30 DEEDHN CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1C[C@H](C)O ZINC000246262844 402521601 /nfs/dbraw/zinc/52/16/01/402521601.db2.gz AFVIMZKZOVHNCI-HDMKZQKVSA-N 0 3 301.434 2.396 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000171718043 402614138 /nfs/dbraw/zinc/61/41/38/402614138.db2.gz ALWSVZQGCSBNTM-UHFFFAOYSA-N 0 3 318.808 2.368 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000171728119 402615751 /nfs/dbraw/zinc/61/57/51/402615751.db2.gz ONDNBILGSOTJNZ-OAHLLOKOSA-N 0 3 304.438 2.218 20 30 DEEDHN CN(C)[C@H](CNCc1cc(C#N)n(C)c1)c1cccc(F)c1 ZINC000190669665 402617153 /nfs/dbraw/zinc/61/71/53/402617153.db2.gz RVTAHECHGSTYDH-QGZVFWFLSA-N 0 3 300.381 2.428 20 30 DEEDHN Cn1cc(CNCc2cccc(CN3CCOCC3)c2)cc1C#N ZINC000190790311 402623372 /nfs/dbraw/zinc/62/33/72/402623372.db2.gz CFPMTVBLSYWDIQ-UHFFFAOYSA-N 0 3 324.428 2.019 20 30 DEEDHN C[C@@H]1Cc2ccccc2[C@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000180867311 402628670 /nfs/dbraw/zinc/62/86/70/402628670.db2.gz RQROFSCSPGNPEV-MQFFZDQTSA-N 0 3 311.385 2.036 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C#N)cc1 ZINC000249757574 402640578 /nfs/dbraw/zinc/64/05/78/402640578.db2.gz FBVFRJVYFRBGMZ-CABCVRRESA-N 0 3 314.433 2.478 20 30 DEEDHN CCCCNC(=O)[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191292416 402658190 /nfs/dbraw/zinc/65/81/90/402658190.db2.gz KXBQPPSWVYHVCU-OAHLLOKOSA-N 0 3 302.422 2.025 20 30 DEEDHN CO[C@@H](C)CON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000181604131 402651543 /nfs/dbraw/zinc/65/15/43/402651543.db2.gz HFSHDPVLOHWTRR-AWEZNQCLSA-N 0 3 305.422 2.344 20 30 DEEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191268292 402656199 /nfs/dbraw/zinc/65/61/99/402656199.db2.gz VNSBMIBTCZUQNU-HOCLYGCPSA-N 0 3 316.449 2.414 20 30 DEEDHN CC[C@H](NCC(=O)N(CC)CCC#N)c1ccc(OC)cc1 ZINC000181805007 402657517 /nfs/dbraw/zinc/65/75/17/402657517.db2.gz YUJZVCIHLPBHMI-INIZCTEOSA-N 0 3 303.406 2.498 20 30 DEEDHN C#CCSCCNCc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000182375538 402684480 /nfs/dbraw/zinc/68/44/80/402684480.db2.gz BBHVBRQUFDFWCN-ZDUSSCGKSA-N 0 3 307.415 2.083 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2nc(C)cs2)CC1 ZINC000182593224 402702620 /nfs/dbraw/zinc/70/26/20/402702620.db2.gz IIRJHNZRNHUMPC-GFCCVEGCSA-N 0 3 305.447 2.016 20 30 DEEDHN C=CCN1CCC(NC(=O)NOCc2ccc(F)cc2)CC1 ZINC000183545398 402775164 /nfs/dbraw/zinc/77/51/64/402775164.db2.gz YNQVGFJNTJFYIP-UHFFFAOYSA-N 0 3 307.369 2.207 20 30 DEEDHN CCOC(=O)CCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000263841176 402811493 /nfs/dbraw/zinc/81/14/93/402811493.db2.gz YKHUHCREAJNIOL-UHFFFAOYSA-N 0 3 304.390 2.350 20 30 DEEDHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000194942541 402823357 /nfs/dbraw/zinc/82/33/57/402823357.db2.gz GCWPXYRILZDXSP-OAHLLOKOSA-N 0 3 311.389 2.387 20 30 DEEDHN CC(C)(C)[C@H](CCO)NCC(=O)N(CCC#N)c1ccccc1 ZINC000183667197 402786872 /nfs/dbraw/zinc/78/68/72/402786872.db2.gz RJQXOPILEAXBCW-INIZCTEOSA-N 0 3 317.433 2.320 20 30 DEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccccc2OC)CC1 ZINC000264153714 402852020 /nfs/dbraw/zinc/85/20/20/402852020.db2.gz SCYSSYMYXKXQSE-UHFFFAOYSA-N 0 3 314.429 2.392 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000329912612 404493390 /nfs/dbraw/zinc/49/33/90/404493390.db2.gz OJJQMCMVBUQQQH-KZNAEPCWSA-N 0 3 323.396 2.126 20 30 DEEDHN Cn1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278612326 402869005 /nfs/dbraw/zinc/86/90/05/402869005.db2.gz IVLQMFQJUFGDAT-UHFFFAOYSA-N 0 3 320.400 2.487 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2cccc(Cl)c2)CC1 ZINC000264346248 402869772 /nfs/dbraw/zinc/86/97/72/402869772.db2.gz ANIDOCRVJPAEDY-UHFFFAOYSA-N 0 3 308.809 2.485 20 30 DEEDHN C#Cc1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000279115105 402905535 /nfs/dbraw/zinc/90/55/35/402905535.db2.gz WQEOBEPGHXXWBR-GOSISDBHSA-N 0 3 309.413 2.347 20 30 DEEDHN C[C@H](O)CCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279412452 402940382 /nfs/dbraw/zinc/94/03/82/402940382.db2.gz NZLXNKARQZBULR-AWEZNQCLSA-N 0 3 313.405 2.061 20 30 DEEDHN CC[C@H]1CN(c2c(C#N)cnc3ccccc32)CCN1C[C@H](C)O ZINC000266419684 402969025 /nfs/dbraw/zinc/96/90/25/402969025.db2.gz RVCWGMIACPXPGR-HOCLYGCPSA-N 0 3 324.428 2.388 20 30 DEEDHN COC[C@H](CNCc1ccc(OC)c(OCCCC#N)c1)OC ZINC000272661304 402959068 /nfs/dbraw/zinc/95/90/68/402959068.db2.gz HYSRRFOIEVMLMZ-HNNXBMFYSA-N 0 3 322.405 2.129 20 30 DEEDHN CCOCCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000265917843 402961926 /nfs/dbraw/zinc/96/19/26/402961926.db2.gz BRIVAIWBHUFAKA-UHFFFAOYSA-N 0 3 301.390 2.245 20 30 DEEDHN C=CCOc1cccc(NC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000265466588 402921359 /nfs/dbraw/zinc/92/13/59/402921359.db2.gz HDQLWXKGWFXYHJ-HNNXBMFYSA-N 0 3 319.405 2.094 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000279287554 402926672 /nfs/dbraw/zinc/92/66/72/402926672.db2.gz PDAJIKCZSJOTLG-UAGQMJEPSA-N 0 3 304.434 2.124 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccc(C#N)cc1 ZINC000272358874 402927662 /nfs/dbraw/zinc/92/76/62/402927662.db2.gz FDFCOAZXPYISDK-RRQGHBQHSA-N 0 3 312.417 2.355 20 30 DEEDHN C[C@H](N[C@H]1CCC[C@H]1CCO)C(=O)Nc1cccc(C#N)c1 ZINC000279338336 402932310 /nfs/dbraw/zinc/93/23/10/402932310.db2.gz UNVHFZPSEVYQNB-NOLJZWGESA-N 0 3 301.390 2.026 20 30 DEEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C12CCCCC2 ZINC000348440339 286287017 /nfs/dbraw/zinc/28/70/17/286287017.db2.gz IXHMOEQQFGAACQ-ARFHVFGLSA-N 0 3 321.465 2.464 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC#N ZINC000273639480 403022312 /nfs/dbraw/zinc/02/23/12/403022312.db2.gz XWYOJIQXYSLVKM-RDJZCZTQSA-N 0 3 314.433 2.500 20 30 DEEDHN C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000280266006 402981430 /nfs/dbraw/zinc/98/14/30/402981430.db2.gz JWLXXBYGCAFSHG-KBXCAEBGSA-N 0 3 322.412 2.007 20 30 DEEDHN Cc1ccc(NC(=O)NCCCC#N)c(OCCN(C)C)c1 ZINC000273208666 402982961 /nfs/dbraw/zinc/98/29/61/402982961.db2.gz MFPGGTQJNYXUAT-UHFFFAOYSA-N 0 3 304.394 2.361 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000280824676 403040616 /nfs/dbraw/zinc/04/06/16/403040616.db2.gz VUZRKPGQQJMCRI-PXAZEXFGSA-N 0 3 307.390 2.480 20 30 DEEDHN COC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280831149 403041212 /nfs/dbraw/zinc/04/12/12/403041212.db2.gz IOPCEUZBWXSMND-SJORKVTESA-N 0 3 311.385 2.126 20 30 DEEDHN COC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280831142 403041480 /nfs/dbraw/zinc/04/14/80/403041480.db2.gz IOPCEUZBWXSMND-IAGOWNOFSA-N 0 3 311.385 2.126 20 30 DEEDHN CN(C)C1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000280838374 403042164 /nfs/dbraw/zinc/04/21/64/403042164.db2.gz ZYJKCQAGVQCHDM-UHFFFAOYSA-N 0 3 309.417 2.234 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268533793 403092102 /nfs/dbraw/zinc/09/21/02/403092102.db2.gz XWWJVNRDWSXORI-VXGBXAGGSA-N 0 3 303.366 2.394 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCOCCc2ccccc2)C1=O ZINC000281321622 403064460 /nfs/dbraw/zinc/06/44/60/403064460.db2.gz LHZOTUTTWCRVIJ-GOSISDBHSA-N 0 3 316.445 2.355 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000274784163 403087178 /nfs/dbraw/zinc/08/71/78/403087178.db2.gz JYCHIGKXPODLAP-YOEHRIQHSA-N 0 3 315.417 2.153 20 30 DEEDHN Cc1noc([C@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000268637907 403101670 /nfs/dbraw/zinc/10/16/70/403101670.db2.gz CVGOZXMELASDEM-HOTGVXAUSA-N 0 3 312.373 2.163 20 30 DEEDHN COc1cccc([C@H](O)CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281824795 403095470 /nfs/dbraw/zinc/09/54/70/403095470.db2.gz XEZRHFKDJDAGGK-QGZVFWFLSA-N 0 3 312.369 2.399 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC[C@@H](O)CC)C(C)C ZINC000268863979 403120010 /nfs/dbraw/zinc/12/00/10/403120010.db2.gz RJVHCKRFBVVDFN-HOTGVXAUSA-N 0 3 311.470 2.145 20 30 DEEDHN CN(C)C1(CNC(=O)/C=C/c2ccc(OCC#N)cc2)CCC1 ZINC000275978773 403136963 /nfs/dbraw/zinc/13/69/63/403136963.db2.gz MJSCZZKISJYZGO-RMKNXTFCSA-N 0 3 313.401 2.203 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000283811556 403225532 /nfs/dbraw/zinc/22/55/32/403225532.db2.gz CFNFOOGKASDJDR-XJKSGUPXSA-N 0 3 301.365 2.254 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000270013550 403178391 /nfs/dbraw/zinc/17/83/91/403178391.db2.gz MQFOUZTWLRXQEF-JJXSEGSLSA-N 0 3 304.434 2.123 20 30 DEEDHN C=C[C@H](CC(=O)NCCN1CCN(CC)CC1)c1ccccc1 ZINC000270429085 403191100 /nfs/dbraw/zinc/19/11/00/403191100.db2.gz NPRYQVBKJFNXTI-QGZVFWFLSA-N 0 3 315.461 2.100 20 30 DEEDHN N#CCCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285419681 403292828 /nfs/dbraw/zinc/29/28/28/403292828.db2.gz BUHGXGHGEFYFBD-LJQANCHMSA-N 0 3 312.461 2.182 20 30 DEEDHN N#CCCn1cc(CN(CCO)C2CC2)c(-c2ccccc2)n1 ZINC000271081150 403261838 /nfs/dbraw/zinc/26/18/38/403261838.db2.gz REMIJCFTHJNLPW-UHFFFAOYSA-N 0 3 310.401 2.420 20 30 DEEDHN C=CCOc1cccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000284441897 403267678 /nfs/dbraw/zinc/26/76/78/403267678.db2.gz SUZDECYWEASDEQ-JKSUJKDBSA-N 0 3 304.434 2.138 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)OCC(F)(F)F)n1 ZINC000271183129 403274614 /nfs/dbraw/zinc/27/46/14/403274614.db2.gz WFZHKFYSZRXZIG-LURJTMIESA-N 0 3 322.264 2.032 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NCCCOCC ZINC000284972838 403275435 /nfs/dbraw/zinc/27/54/35/403275435.db2.gz DDYINXSGSMSIAS-AEFFLSMTSA-N 0 3 316.445 2.142 20 30 DEEDHN CCC[C@H]1CN(c2ccc(C#N)c(C)n2)CCN1CCOC ZINC000292075236 403284793 /nfs/dbraw/zinc/28/47/93/403284793.db2.gz XLLXFYURLFRXEB-INIZCTEOSA-N 0 3 302.422 2.199 20 30 DEEDHN CC(C)[C@@H]1CN(C)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000331247830 403362293 /nfs/dbraw/zinc/36/22/93/403362293.db2.gz WJYGQSJKPYAXQU-KRWDZBQOSA-N 0 3 314.433 2.159 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1N(C)C ZINC000330696191 403306287 /nfs/dbraw/zinc/30/62/87/403306287.db2.gz DONGODJRNXWJIK-KGLIPLIRSA-N 0 3 322.409 2.207 20 30 DEEDHN CCN(CCCC#N)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000293070266 403388416 /nfs/dbraw/zinc/38/84/16/403388416.db2.gz VJYPLBKJFIHRLX-QGZVFWFLSA-N 0 3 320.433 2.241 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)[C@@H]2C1 ZINC000285902526 403407157 /nfs/dbraw/zinc/40/71/57/403407157.db2.gz VEQZISHERPWPSM-IUODEOHRSA-N 0 3 303.793 2.378 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H]1N(C)C ZINC000285909895 403408872 /nfs/dbraw/zinc/40/88/72/403408872.db2.gz YYOWBGPNALMCLC-KBPBESRZSA-N 0 3 323.849 2.329 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000345676744 403432476 /nfs/dbraw/zinc/43/24/76/403432476.db2.gz VHEOKXRSPJCJGA-ZJUUUORDSA-N 0 3 311.179 2.492 20 30 DEEDHN C#CCNC(=O)CCN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000293687387 403537812 /nfs/dbraw/zinc/53/78/12/403537812.db2.gz BMZFDZVVMYGGLL-CYBMUJFWSA-N 0 3 305.447 2.154 20 30 DEEDHN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C#N)c1 ZINC000339922522 403494522 /nfs/dbraw/zinc/49/45/22/403494522.db2.gz LVTNJFBLTFWSCA-BBRMVZONSA-N 0 3 302.374 2.362 20 30 DEEDHN CC(C#N)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000346444324 403589905 /nfs/dbraw/zinc/58/99/05/403589905.db2.gz KTQNCCAJQYJWIS-MRVPVSSYSA-N 0 3 312.272 2.135 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346173166 403577445 /nfs/dbraw/zinc/57/74/45/403577445.db2.gz CLEXWVJMUPYCRO-KYHPRHEASA-N 0 3 308.466 2.404 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCc1ccc(OC)cc1 ZINC000293967237 403611733 /nfs/dbraw/zinc/61/17/33/403611733.db2.gz LOKBVPIUMZATQU-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000293973295 403612699 /nfs/dbraw/zinc/61/26/99/403612699.db2.gz MHMYTWMENSRYDG-UHFFFAOYSA-N 0 3 304.821 2.443 20 30 DEEDHN N#Cc1nccnc1NCc1ccc(OCCN2CCCC2)cc1 ZINC000347275943 403646556 /nfs/dbraw/zinc/64/65/56/403646556.db2.gz NXJWZSLTPAJQEZ-UHFFFAOYSA-N 0 3 323.400 2.435 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccnc3ccncc32)CC1 ZINC000287580298 403627278 /nfs/dbraw/zinc/62/72/78/403627278.db2.gz MATFBOUBWBHALR-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1cccc(C#N)c1 ZINC000343539005 403629085 /nfs/dbraw/zinc/62/90/85/403629085.db2.gz VFYKLBPKZMQISJ-CVEARBPZSA-N 0 3 306.431 2.046 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(OCCC)cc1 ZINC000294044317 403632864 /nfs/dbraw/zinc/63/28/64/403632864.db2.gz SVFVYDSQRFYEAA-UHFFFAOYSA-N 0 3 316.445 2.479 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287631955 403639274 /nfs/dbraw/zinc/63/92/74/403639274.db2.gz FTQLIXSPWDETJY-RBUKOAKNSA-N 0 3 323.396 2.278 20 30 DEEDHN CC1CCN(C[C@@H](O)CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000301507726 403639327 /nfs/dbraw/zinc/63/93/27/403639327.db2.gz HLBBYOMCKRITNS-LBPRGKRZSA-N 0 3 308.813 2.111 20 30 DEEDHN CC(C)N1CC[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000333061577 403657556 /nfs/dbraw/zinc/65/75/56/403657556.db2.gz IJNXJQGLPGVLOD-INIZCTEOSA-N 0 3 320.481 2.086 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000343604484 403658918 /nfs/dbraw/zinc/65/89/18/403658918.db2.gz ZSQVIKUQMZMHFT-CZUORRHYSA-N 0 3 315.417 2.436 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H]1C ZINC001088874798 782006334 /nfs/dbraw/zinc/00/63/34/782006334.db2.gz YEWCOQJFEFQYOA-YGRLFVJLSA-N 0 3 310.319 2.320 20 30 DEEDHN C=CCN1CC[C@H](N(C[C@H](C)c2ccccc2)[C@@H](C)CO)C1=O ZINC000347376243 403685107 /nfs/dbraw/zinc/68/51/07/403685107.db2.gz SBIYDHUMFDRRMD-BQFCYCMXSA-N 0 3 316.445 2.260 20 30 DEEDHN CCC[C@H](OC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000294294321 403695203 /nfs/dbraw/zinc/69/52/03/403695203.db2.gz CCLNKWPIBBIWEK-KRWDZBQOSA-N 0 3 317.433 2.264 20 30 DEEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OC[C@H]2CCCO2)c1 ZINC000343707246 403701296 /nfs/dbraw/zinc/70/12/96/403701296.db2.gz OGINYKFQAZISMA-DZGCQCFKSA-N 0 3 302.374 2.329 20 30 DEEDHN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)[C@H]1CC[C@@H](C#N)C1 ZINC000294430810 403719367 /nfs/dbraw/zinc/71/93/67/403719367.db2.gz FABDNVLHRPHGAV-QPSCCSFWSA-N 0 3 303.385 2.017 20 30 DEEDHN CN1CC[C@H]2CCN(c3ncc(Br)cc3C#N)[C@H]2C1 ZINC000294899792 403737680 /nfs/dbraw/zinc/73/76/80/403737680.db2.gz GYLQMJVQOQOQFW-GWCFXTLKSA-N 0 3 321.222 2.246 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC1 ZINC000288191508 403740544 /nfs/dbraw/zinc/74/05/44/403740544.db2.gz QTTRTMJXMNEWTO-YJBOKZPZSA-N 0 3 311.429 2.457 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1 ZINC000288243943 403742850 /nfs/dbraw/zinc/74/28/50/403742850.db2.gz OLZOXKYENVLLQR-BBRMVZONSA-N 0 3 308.385 2.279 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)c1nc(C)ccc1C#N ZINC000341036081 403746162 /nfs/dbraw/zinc/74/61/62/403746162.db2.gz CBTLPMXTAPMHDJ-UHFFFAOYSA-N 0 3 315.465 2.116 20 30 DEEDHN N#CCCn1cc(CNCC2=CCCOC2)c(-c2ccncc2)n1 ZINC000288415360 403749885 /nfs/dbraw/zinc/74/98/85/403749885.db2.gz JGVGBUGQWPVMQE-UHFFFAOYSA-N 0 3 323.400 2.295 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](CCNC(C)=O)C1 ZINC000347683061 403803980 /nfs/dbraw/zinc/80/39/80/403803980.db2.gz PPJWIEHOCVQARO-RDJZCZTQSA-N 0 3 323.481 2.038 20 30 DEEDHN COC[C@@]1(C(=O)OC)CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000295240826 403808624 /nfs/dbraw/zinc/80/86/24/403808624.db2.gz YAMRQDQENZWFPV-SUMWQHHRSA-N 0 3 302.374 2.131 20 30 DEEDHN Cc1onc(CC(=O)N(CCN(C)C)C2CCCCC2)c1C#N ZINC000354474990 403823939 /nfs/dbraw/zinc/82/39/39/403823939.db2.gz HZAZTVNELWRPNN-UHFFFAOYSA-N 0 3 318.421 2.120 20 30 DEEDHN N#CC(C(=O)c1ccnc(OCC(F)F)c1)c1ccncn1 ZINC000354475700 403826376 /nfs/dbraw/zinc/82/63/76/403826376.db2.gz YDXKWHIHLCHSQN-SNVBAGLBSA-N 0 3 304.256 2.006 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000305096660 403827883 /nfs/dbraw/zinc/82/78/83/403827883.db2.gz UGSBQSKGJVTKPG-IBGZPJMESA-N 0 3 313.445 2.393 20 30 DEEDHN CN(C)C(=O)C1(NCCOc2cccc(C#N)c2)CCCCC1 ZINC000295211171 403798179 /nfs/dbraw/zinc/79/81/79/403798179.db2.gz WRLHHGIQEKULOD-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000411263628 403839984 /nfs/dbraw/zinc/83/99/84/403839984.db2.gz UGBGQJSNCDJVKA-CYBMUJFWSA-N 0 3 307.438 2.431 20 30 DEEDHN C[C@H](CCC#N)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411437944 403857654 /nfs/dbraw/zinc/85/76/54/403857654.db2.gz BBMBHZZNEQYJJR-ZACQAIPSSA-N 0 3 323.481 2.269 20 30 DEEDHN N#CC1(CCN2CCC[C@H](n3cc(CO)nn3)C2)CCCCC1 ZINC000411766763 403962869 /nfs/dbraw/zinc/96/28/69/403962869.db2.gz KYKVESNLCXDKHS-INIZCTEOSA-N 0 3 317.437 2.271 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000411639792 403921045 /nfs/dbraw/zinc/92/10/45/403921045.db2.gz JGPLZZBPZHSSPC-BRWVUGGUSA-N 0 3 309.498 2.319 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1nc2c(s1)CCC2 ZINC000411645662 403923171 /nfs/dbraw/zinc/92/31/71/403923171.db2.gz TZJRQMKXDRBSQQ-UHFFFAOYSA-N 0 3 322.478 2.010 20 30 DEEDHN CN(C)CCN(C)c1cc(Br)c(C#N)cc1F ZINC000310294914 403966844 /nfs/dbraw/zinc/96/68/44/403966844.db2.gz LOJZDZULIWKPES-UHFFFAOYSA-N 0 3 300.175 2.458 20 30 DEEDHN C=CCSc1ccccc1C(=O)NCCN(C)CCOC ZINC000362389525 403952103 /nfs/dbraw/zinc/95/21/03/403952103.db2.gz PFZPMCXJSDDKJM-UHFFFAOYSA-N 0 3 308.447 2.273 20 30 DEEDHN C=CCOCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000347976080 403989009 /nfs/dbraw/zinc/98/90/09/403989009.db2.gz YANSUUWIATWPEB-UHFFFAOYSA-N 0 3 308.447 2.489 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC(CCC(N)=O)CC1 ZINC000347975540 403989369 /nfs/dbraw/zinc/98/93/69/403989369.db2.gz SNXMIXLSJAFEHA-UHFFFAOYSA-N 0 3 301.390 2.044 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000337437539 404025218 /nfs/dbraw/zinc/02/52/18/404025218.db2.gz XZCUYZRTQWVZQT-OLZOCXBDSA-N 0 3 307.825 2.099 20 30 DEEDHN CN(CC[C@@H]1CCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348512072 404073886 /nfs/dbraw/zinc/07/38/86/404073886.db2.gz TYUMKLQLLRVZOQ-IRXDYDNUSA-N 0 3 311.385 2.268 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(C(=O)N(C)C)c2)nc(C)n1 ZINC000348553044 404078033 /nfs/dbraw/zinc/07/80/33/404078033.db2.gz HPQFUEPHLZPBHL-HNNXBMFYSA-N 0 3 322.368 2.285 20 30 DEEDHN Cc1ncsc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348203010 404050442 /nfs/dbraw/zinc/05/04/42/404050442.db2.gz ZMTJXTZQWGYFAU-CQSZACIVSA-N 0 3 310.382 2.322 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000344343091 404069809 /nfs/dbraw/zinc/06/98/09/404069809.db2.gz NBCDYAJANXFROO-AWEZNQCLSA-N 0 3 320.393 2.351 20 30 DEEDHN O=C(NCCN1CCCCCC1)c1csc(-c2nc[nH]n2)n1 ZINC000328664429 404126978 /nfs/dbraw/zinc/12/69/78/404126978.db2.gz BNLUYDSUIJXJLK-UHFFFAOYSA-N 0 3 320.422 2.109 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)CCN1C ZINC000328825034 404158519 /nfs/dbraw/zinc/15/85/19/404158519.db2.gz PWTNGNIYDLSEQY-RBSFLKMASA-N 0 3 309.454 2.322 20 30 DEEDHN Cc1ncc(C(=O)NCC2(N3CCSCC3)CCCC2)[nH]1 ZINC000328852830 404161903 /nfs/dbraw/zinc/16/19/03/404161903.db2.gz SKPVGHIFYGZXKA-UHFFFAOYSA-N 0 3 308.451 2.384 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2conc2CC)CC1 ZINC000296431183 404245473 /nfs/dbraw/zinc/24/54/73/404245473.db2.gz NODRHGCZEMWFLS-UHFFFAOYSA-N 0 3 306.410 2.029 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)s1 ZINC000341954118 404276484 /nfs/dbraw/zinc/27/64/84/404276484.db2.gz XLAVUOJCVKTKMR-NSHDSACASA-N 0 3 315.464 2.018 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)Cc1ccccn1 ZINC000355405453 404330185 /nfs/dbraw/zinc/33/01/85/404330185.db2.gz AKXJIBANTUYYGK-HUUCEWRRSA-N 0 3 300.406 2.197 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cccc2c1OCO2 ZINC000329424000 404333197 /nfs/dbraw/zinc/33/31/97/404333197.db2.gz FMKXGQNUTKMFCF-GFCCVEGCSA-N 0 3 305.378 2.234 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@]1(C)CCOC1)C(C)C ZINC000355434659 404333852 /nfs/dbraw/zinc/33/38/52/404333852.db2.gz ITYOYNPBIPCXCO-WMZOPIPTSA-N 0 3 323.481 2.411 20 30 DEEDHN CSC1(CNC(=O)c2ccc(CC#N)cc2)CCN(C)CC1 ZINC000355442093 404334413 /nfs/dbraw/zinc/33/44/13/404334413.db2.gz KZKVJWZSUZVKDY-UHFFFAOYSA-N 0 3 317.458 2.310 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000338114267 404343890 /nfs/dbraw/zinc/34/38/90/404343890.db2.gz IWCGFUXPEADGKG-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN N#CCOc1ccccc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000364320251 404346069 /nfs/dbraw/zinc/34/60/69/404346069.db2.gz PXHRCYGBNMLIMD-HNNXBMFYSA-N 0 3 313.401 2.289 20 30 DEEDHN CCCN1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000329497258 404356640 /nfs/dbraw/zinc/35/66/40/404356640.db2.gz XMUOULBGHWHPAD-HNNXBMFYSA-N 0 3 307.438 2.218 20 30 DEEDHN Cc1nc([C@@H]2CCCN2C(=O)NCCN2CCC[C@@H](C)C2)no1 ZINC000329387683 404323506 /nfs/dbraw/zinc/32/35/06/404323506.db2.gz QHMIEUCFUKAYFL-OCCSQVGLSA-N 0 3 321.425 2.161 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)c1ncc(Br)cc1C#N ZINC000297051343 404428281 /nfs/dbraw/zinc/42/82/81/404428281.db2.gz IJMCQDGXPDJMPG-LLVKDONJSA-N 0 3 323.238 2.494 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N2CCN(C3CCCC3)CC2)s1 ZINC000329522946 404364972 /nfs/dbraw/zinc/36/49/72/404364972.db2.gz PQMXWFDCDNKBGC-NSHDSACASA-N 0 3 323.466 2.382 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355801091 404368861 /nfs/dbraw/zinc/36/88/61/404368861.db2.gz FBKVWWSNDFNVOB-MJGOQNOKSA-N 0 3 316.445 2.437 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(Cl)s1 ZINC000296918068 404370772 /nfs/dbraw/zinc/37/07/72/404370772.db2.gz OCTNEPKQRVCCOI-UHFFFAOYSA-N 0 3 313.854 2.498 20 30 DEEDHN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H](C1CC1)N1CCCC1 ZINC000329557290 404374855 /nfs/dbraw/zinc/37/48/55/404374855.db2.gz HQBKJBMVDMEPPA-HLLBOEOZSA-N 0 3 308.422 2.155 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000355939150 404378882 /nfs/dbraw/zinc/37/88/82/404378882.db2.gz JNHSTGKGBXVRBR-GJZGRUSLSA-N 0 3 306.454 2.442 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)s1 ZINC000329571427 404379746 /nfs/dbraw/zinc/37/97/46/404379746.db2.gz MREJTWQOHDGGCD-CYZMBNFOSA-N 0 3 323.466 2.238 20 30 DEEDHN CS[C@H]1CN(C(=O)c2sccc2C#N)C[C@@H]1N1CCCC1 ZINC000352465948 404390533 /nfs/dbraw/zinc/39/05/33/404390533.db2.gz RRTIJDPWBMJXIK-STQMWFEESA-N 0 3 321.471 2.272 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616199 404394961 /nfs/dbraw/zinc/39/49/61/404394961.db2.gz LIEBIZSSMRSVHV-JSGCOSHPSA-N 0 3 317.437 2.402 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H](C3CC3)C2)C1 ZINC000329621235 404396380 /nfs/dbraw/zinc/39/63/80/404396380.db2.gz FOHAIIJRVKOXPB-JKSUJKDBSA-N 0 3 307.438 2.076 20 30 DEEDHN CC[C@H](C[C@@H](C)CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350474554 404396914 /nfs/dbraw/zinc/39/69/14/404396914.db2.gz HELFURUMYMWVMO-KBRIMQKVSA-N 0 3 313.401 2.154 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329658981 404411448 /nfs/dbraw/zinc/41/14/48/404411448.db2.gz NXPFXGWZRZRDKC-DSJMHWKBSA-N 0 3 309.454 2.178 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C2=CCN(C)CC2)C12CCC2 ZINC000329695121 404426085 /nfs/dbraw/zinc/42/60/85/404426085.db2.gz CYUNGKZVCJLAMH-CWRNSKLLSA-N 0 3 321.465 2.488 20 30 DEEDHN C[C@H](NC(=O)CN1C[C@@H](C)CC1(C)C)C(=O)N1CCCCC1 ZINC000329921082 404495348 /nfs/dbraw/zinc/49/53/48/404495348.db2.gz FLKYZQRVDMLVNC-KBPBESRZSA-N 0 3 309.454 2.464 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000330215346 404588585 /nfs/dbraw/zinc/58/85/85/404588585.db2.gz GXQOWXZOQAKTHP-RBUCKAEESA-N 0 3 323.437 2.482 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000356458891 404535612 /nfs/dbraw/zinc/53/56/12/404535612.db2.gz SRMGPPUYZRHTKE-CJNGLKHVSA-N 0 3 308.447 2.450 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(CC(C)C)CC1 ZINC000338789908 404549445 /nfs/dbraw/zinc/54/94/45/404549445.db2.gz SXUDMJCKULFUPM-UHFFFAOYSA-N 0 3 321.469 2.169 20 30 DEEDHN CC#CCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000297501060 404562090 /nfs/dbraw/zinc/56/20/90/404562090.db2.gz OGBYZAVJYDPTOX-OAHLLOKOSA-N 0 3 305.447 2.334 20 30 DEEDHN CCC1(CC)[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C[C@H]1OC ZINC000345129513 404567276 /nfs/dbraw/zinc/56/72/76/404567276.db2.gz ISVJRWWZAAKEII-MGPQQGTHSA-N 0 3 307.438 2.121 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC)CCc1cccs1 ZINC000297640286 404574205 /nfs/dbraw/zinc/57/42/05/404574205.db2.gz ZAWICQPYZLGGID-UHFFFAOYSA-N 0 3 307.463 2.277 20 30 DEEDHN O=C(NC1CCN(C2CC2)CC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330232803 404595588 /nfs/dbraw/zinc/59/55/88/404595588.db2.gz XMRXHLHCSCETGL-CQSZACIVSA-N 0 3 307.438 2.219 20 30 DEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1c(F)cccc1C#N ZINC000351524576 404625085 /nfs/dbraw/zinc/62/50/85/404625085.db2.gz MWOUFSZYLGOGLS-AWEZNQCLSA-N 0 3 305.397 2.332 20 30 DEEDHN CCN1CCC(NC(=O)CSc2nccn3ccnc23)CC1 ZINC000330331832 404628747 /nfs/dbraw/zinc/62/87/47/404628747.db2.gz OJNLLSQRZGFCCB-UHFFFAOYSA-N 0 3 319.434 2.262 20 30 DEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000330337863 404630930 /nfs/dbraw/zinc/63/09/30/404630930.db2.gz UOAHVTUUZGSQBH-NHIYQJMISA-N 0 3 309.454 2.176 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000330357015 404636587 /nfs/dbraw/zinc/63/65/87/404636587.db2.gz SJGPMMKHDLVGSX-UONOGXRCSA-N 0 3 320.437 2.483 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000330551197 404686373 /nfs/dbraw/zinc/68/63/73/404686373.db2.gz DYKLYFCNBTZYJD-HUUCEWRRSA-N 0 3 314.433 2.301 20 30 DEEDHN CCOC[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356788694 404692067 /nfs/dbraw/zinc/69/20/67/404692067.db2.gz QOUSYEOKMATRSD-CJNGLKHVSA-N 0 3 301.390 2.068 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(C1)CCOCC2 ZINC000353055304 404733349 /nfs/dbraw/zinc/73/33/49/404733349.db2.gz ZIHQSPGQBHJFKR-KRWDZBQOSA-N 0 3 317.429 2.267 20 30 DEEDHN CC(C#N)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000357828115 404745349 /nfs/dbraw/zinc/74/53/49/404745349.db2.gz NXJYQYSEEWMOEO-RBSFLKMASA-N 0 3 315.417 2.072 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2csc(C)n2)CC1 ZINC000358831138 404777336 /nfs/dbraw/zinc/77/73/36/404777336.db2.gz PUVWRUMMAAVXJM-UHFFFAOYSA-N 0 3 308.451 2.243 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)NCC3CCC(C#N)CC3)C2)C1 ZINC000366270640 404783004 /nfs/dbraw/zinc/78/30/04/404783004.db2.gz SJLMBLPHLAOJMB-VMBOVVBDSA-N 0 3 304.438 2.054 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCCN(CC)CC1 ZINC000359108124 404784347 /nfs/dbraw/zinc/78/43/47/404784347.db2.gz SNIOMUHZLNQDML-HNNXBMFYSA-N 0 3 319.453 2.238 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CCO)c1ccccc1Br ZINC000359607011 404798217 /nfs/dbraw/zinc/79/82/17/404798217.db2.gz BYRAENAZQNBMBJ-CABZTGNLSA-N 0 3 311.179 2.148 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H]1CCCN1C1CCCCC1 ZINC000366662495 404827018 /nfs/dbraw/zinc/82/70/18/404827018.db2.gz FTTBDSYWXOQKFW-HNNXBMFYSA-N 0 3 300.468 2.279 20 30 DEEDHN C=CC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000360506182 404829581 /nfs/dbraw/zinc/82/95/81/404829581.db2.gz FGGVCBLAMRKKAH-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000366706050 404835013 /nfs/dbraw/zinc/83/50/13/404835013.db2.gz XOQCWFUASRUXLD-HOTGVXAUSA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)CN1 ZINC000415557856 404883470 /nfs/dbraw/zinc/88/34/70/404883470.db2.gz DMRRXSVCGOJXSA-VXGBXAGGSA-N 0 3 303.410 2.329 20 30 DEEDHN CS(=O)(=O)C1(CN[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360872237 404841858 /nfs/dbraw/zinc/84/18/58/404841858.db2.gz LWMHKFWASREQJE-INIZCTEOSA-N 0 3 318.442 2.493 20 30 DEEDHN N#CC(C(=O)c1cnnn1Cc1ccccc1)c1ccccn1 ZINC000353519948 404855091 /nfs/dbraw/zinc/85/50/91/404855091.db2.gz NZUHYMCYVBZRGC-AWEZNQCLSA-N 0 3 303.325 2.211 20 30 DEEDHN C=CCc1cc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)cc(OC)c1O ZINC000361170563 404956659 /nfs/dbraw/zinc/95/66/59/404956659.db2.gz ZNDSANMXRWUMDZ-KYJSFNMBSA-N 0 3 321.417 2.411 20 30 DEEDHN C[C@@H]1CN(CCN(C)Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000434696205 404925620 /nfs/dbraw/zinc/92/56/20/404925620.db2.gz XLZPDPLGUAAXKE-IYBDPMFKSA-N 0 3 301.434 2.294 20 30 DEEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000361133541 404936526 /nfs/dbraw/zinc/93/65/26/404936526.db2.gz XSJPHFJKEMCGDW-WBMJQRKESA-N 0 3 315.348 2.183 20 30 DEEDHN C=CCOc1ccc(CN2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000353741584 404951642 /nfs/dbraw/zinc/95/16/42/404951642.db2.gz SETQSZWEZIVWIB-SFHVURJKSA-N 0 3 300.402 2.354 20 30 DEEDHN CC(C)NC(=O)Nc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424095341 405004467 /nfs/dbraw/zinc/00/44/67/405004467.db2.gz NECGRDIZOPBBCU-LBPRGKRZSA-N 0 3 317.393 2.176 20 30 DEEDHN Cc1cccc(C)c1OCCCNC(=O)[C@@H](N)CCCC#N ZINC000424099668 405006364 /nfs/dbraw/zinc/00/63/64/405006364.db2.gz GDIQLUYDIANEEA-HNNXBMFYSA-N 0 3 303.406 2.210 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OC(F)F)cc1 ZINC000424104885 405007148 /nfs/dbraw/zinc/00/71/48/405007148.db2.gz VCAJCFPLIFOIMT-ZWNOBZJWSA-N 0 3 311.332 2.486 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000424106637 405008481 /nfs/dbraw/zinc/00/84/81/405008481.db2.gz XRXBIOILWKAZPA-HOTGVXAUSA-N 0 3 317.389 2.204 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000424106485 405009095 /nfs/dbraw/zinc/00/90/95/405009095.db2.gz XPSAUVCSTQIFRZ-CHWSQXEVSA-N 0 3 307.781 2.301 20 30 DEEDHN COC1([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000416026294 405009503 /nfs/dbraw/zinc/00/95/03/405009503.db2.gz JHLSKDSDZJYRFO-BBRMVZONSA-N 0 3 311.385 2.314 20 30 DEEDHN C=CCc1cc(CN2CCC(OCCO)CC2)cc(OC)c1O ZINC000354035127 405012533 /nfs/dbraw/zinc/01/25/33/405012533.db2.gz WDONWPLATVQISO-UHFFFAOYSA-N 0 3 321.417 2.103 20 30 DEEDHN COCCCOc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424125763 405015331 /nfs/dbraw/zinc/01/53/31/405015331.db2.gz ROZXDZKEGGLMNC-HNNXBMFYSA-N 0 3 305.378 2.062 20 30 DEEDHN Cn1cc(Nc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)cn1 ZINC000424126513 405015386 /nfs/dbraw/zinc/01/53/86/405015386.db2.gz OVHOFEFQWCBTII-HNNXBMFYSA-N 0 3 312.377 2.123 20 30 DEEDHN COC(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424125186 405015437 /nfs/dbraw/zinc/01/54/37/405015437.db2.gz NLGOYPKDHNLSIT-GFCCVEGCSA-N 0 3 309.753 2.086 20 30 DEEDHN CCOC(=O)CCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424125490 405015576 /nfs/dbraw/zinc/01/55/76/405015576.db2.gz NVXHPCJMZRILFS-HNNXBMFYSA-N 0 3 317.389 2.142 20 30 DEEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)CC[C@@H]1N1CCN(C)CC1 ZINC000354043746 405017743 /nfs/dbraw/zinc/01/77/43/405017743.db2.gz ZRSMBISVFCTYIA-PBHICJAKSA-N 0 3 318.490 2.078 20 30 DEEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)CC[C@H]1N1CCN(C)CC1 ZINC000354043747 405017927 /nfs/dbraw/zinc/01/79/27/405017927.db2.gz ZRSMBISVFCTYIA-RHSMWYFYSA-N 0 3 318.490 2.078 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000424136916 405018036 /nfs/dbraw/zinc/01/80/36/405018036.db2.gz ACFNLQWPLMSCPA-HIFRSBDPSA-N 0 3 320.824 2.056 20 30 DEEDHN CN(C)c1cccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424149888 405022082 /nfs/dbraw/zinc/02/20/82/405022082.db2.gz XTAYFFXCMVSHGK-IRXDYDNUSA-N 0 3 314.433 2.437 20 30 DEEDHN CCCCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C1(C)C ZINC000424147700 405023154 /nfs/dbraw/zinc/02/31/54/405023154.db2.gz DAAKYKPGYPNHEK-SOUVJXGZSA-N 0 3 309.454 2.450 20 30 DEEDHN COc1cccc(C(C)(C)CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424171312 405028617 /nfs/dbraw/zinc/02/86/17/405028617.db2.gz JERXXGUIBXEYAK-OAHLLOKOSA-N 0 3 303.406 2.110 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCN([C@H](C)c3ccccc3)C2)nn1 ZINC000424168941 405028788 /nfs/dbraw/zinc/02/87/88/405028788.db2.gz GYTGBBGYPVCTPI-NVXWUHKLSA-N 0 3 311.433 2.389 20 30 DEEDHN C=CCn1cc(CN[C@H]2C[C@H](C)N(Cc3ccccc3)C2)nn1 ZINC000424173330 405029510 /nfs/dbraw/zinc/02/95/10/405029510.db2.gz PIUBPSMJZRRWRG-RDJZCZTQSA-N 0 3 311.433 2.217 20 30 DEEDHN CCOc1cc2c(cc1NC(=O)[C@@H](N)CCCC#N)O[C@@H](C)C2 ZINC000424063022 404989957 /nfs/dbraw/zinc/98/99/57/404989957.db2.gz LXRHKXJXJFQIGU-AAEUAGOBSA-N 0 3 317.389 2.368 20 30 DEEDHN C[C@H](OCCCNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424065027 404991170 /nfs/dbraw/zinc/99/11/70/404991170.db2.gz LEOHEIUCMGQQPW-HOCLYGCPSA-N 0 3 303.406 2.292 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000451427298 404992778 /nfs/dbraw/zinc/99/27/78/404992778.db2.gz VMPMRAPOTUCQOE-ZACQAIPSSA-N 0 3 313.401 2.122 20 30 DEEDHN COc1ccc2nc(NC(=O)[C@@H](N)CCCC#N)sc2c1 ZINC000424078871 404998296 /nfs/dbraw/zinc/99/82/96/404998296.db2.gz QMKUNPKRJYHIIK-JTQLQIEISA-N 0 3 304.375 2.265 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1OC ZINC000354008653 404999303 /nfs/dbraw/zinc/99/93/03/404999303.db2.gz TXBFQOZYYGEUHZ-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000424330483 405069823 /nfs/dbraw/zinc/06/98/23/405069823.db2.gz QSMYLRVKMZTVHH-MBNYWOFBSA-N 0 3 307.419 2.401 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCOCC1 ZINC000424653604 405139230 /nfs/dbraw/zinc/13/92/30/405139230.db2.gz SSRVVIUHUNMTJA-OAHLLOKOSA-N 0 3 306.450 2.492 20 30 DEEDHN CCNC(=O)[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000354322128 405157393 /nfs/dbraw/zinc/15/73/93/405157393.db2.gz MSUGMNDKGBHKQT-CVEARBPZSA-N 0 3 315.417 2.036 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN(C2CC2)C1 ZINC000452167401 405201449 /nfs/dbraw/zinc/20/14/49/405201449.db2.gz VWECCIRLZFLEOF-KBXCAEBGSA-N 0 3 301.434 2.403 20 30 DEEDHN N#CC(C(=O)c1cnc2nccnc2c1)c1nc2ccccc2[nH]1 ZINC000354364310 405176453 /nfs/dbraw/zinc/17/64/53/405176453.db2.gz CMLGUXFPVPSMBO-NSHDSACASA-N 0 3 314.308 2.391 20 30 DEEDHN CC(C#N)C(=O)NCc1nc2cc(Br)ccc2o1 ZINC000425304427 405270359 /nfs/dbraw/zinc/27/03/59/405270359.db2.gz MSFVXWGFPADSCU-SSDOTTSWSA-N 0 3 308.135 2.366 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(CCO)C1CCC1 ZINC000439285187 405273622 /nfs/dbraw/zinc/27/36/22/405273622.db2.gz NVYNZTUQEWKGJU-QGZVFWFLSA-N 0 3 305.418 2.002 20 30 DEEDHN COC(=O)[C@H](C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425357696 405279488 /nfs/dbraw/zinc/27/94/88/405279488.db2.gz SEBILZZKGFBBSP-AEGPPILISA-N 0 3 302.374 2.409 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439473510 405280687 /nfs/dbraw/zinc/28/06/87/405280687.db2.gz VXSBZNUTKYHANF-SUNYJGFJSA-N 0 3 322.449 2.121 20 30 DEEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453185177 405288439 /nfs/dbraw/zinc/28/84/39/405288439.db2.gz QQEZFFMBNROMLB-JKSUJKDBSA-N 0 3 322.836 2.322 20 30 DEEDHN COc1cc(CNCC2(C(=O)N(C)C)CCCC2)ccc1C#N ZINC000440815535 405327860 /nfs/dbraw/zinc/32/78/60/405327860.db2.gz VAKPWLQWGRNPJB-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=CC[C@H]1N(C(=O)NCCN(C)CCOC)CCCC1(C)C ZINC000445034595 405343347 /nfs/dbraw/zinc/34/33/47/405343347.db2.gz RUORLGAHWWASQF-OAHLLOKOSA-N 0 3 311.470 2.341 20 30 DEEDHN CN(C)CCN(CCCc1ccccc1)c1cncc(C#N)n1 ZINC000420592028 405359349 /nfs/dbraw/zinc/35/93/49/405359349.db2.gz AKRGCLXNJAOWQG-UHFFFAOYSA-N 0 3 309.417 2.349 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553719 405302947 /nfs/dbraw/zinc/30/29/47/405302947.db2.gz MXMLGPQWMUJPJM-GOSISDBHSA-N 0 3 318.461 2.468 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000420878341 405398974 /nfs/dbraw/zinc/39/89/74/405398974.db2.gz AJEKHBNUINHBID-UHFFFAOYSA-N 0 3 306.435 2.103 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000455408065 405406110 /nfs/dbraw/zinc/40/61/10/405406110.db2.gz JPYVGNVURNGYNU-BACDZXNISA-N 0 3 321.465 2.236 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)N(C)C ZINC000455442691 405410239 /nfs/dbraw/zinc/41/02/39/405410239.db2.gz OIVCLVHULRWJSY-AWEZNQCLSA-N 0 3 302.422 2.430 20 30 DEEDHN COCCO[C@@H]1C[C@@H](CO)CN(CCCCC(C)(C)C#N)C1 ZINC000447396140 405412898 /nfs/dbraw/zinc/41/28/98/405412898.db2.gz VBRQUYPPGANCEJ-HZPDHXFCSA-N 0 3 312.454 2.052 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455540992 405424371 /nfs/dbraw/zinc/42/43/71/405424371.db2.gz MERROFHRVFOJBH-UHFFFAOYSA-N 0 3 318.396 2.181 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000429717503 405445749 /nfs/dbraw/zinc/44/57/49/405445749.db2.gz CKSGKCLIJZBJAR-HNNXBMFYSA-N 0 3 319.449 2.462 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]2)CC1 ZINC000448923569 405464457 /nfs/dbraw/zinc/46/44/57/405464457.db2.gz VAYINYYALSJHCZ-UHFFFAOYSA-N 0 3 301.312 2.414 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000448968808 405478287 /nfs/dbraw/zinc/47/82/87/405478287.db2.gz HSOXKIMEQIACOG-SJORKVTESA-N 0 3 318.417 2.294 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccccc1C(F)(F)F ZINC000577622023 405482200 /nfs/dbraw/zinc/48/22/00/405482200.db2.gz RERQMSWUFPTFAC-CYBMUJFWSA-N 0 3 315.339 2.001 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458719189 405556729 /nfs/dbraw/zinc/55/67/29/405556729.db2.gz ASNULYSURPHGAG-RYRKJORJSA-N 0 3 321.465 2.095 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@](COC)(C(=O)OC)C2)c1 ZINC000449450757 405566821 /nfs/dbraw/zinc/56/68/21/405566821.db2.gz HBPCGHPFTPJSDJ-SFHVURJKSA-N 0 3 319.401 2.263 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458736485 405565483 /nfs/dbraw/zinc/56/54/83/405565483.db2.gz OJSGZQDIBHYSOH-UXLLHSPISA-N 0 3 321.465 2.093 20 30 DEEDHN CC(C)CO[C@H]1CCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528404339 405592655 /nfs/dbraw/zinc/59/26/55/405592655.db2.gz OYCVCEIIRNRVOZ-IRXDYDNUSA-N 0 3 318.417 2.045 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000528409582 405595490 /nfs/dbraw/zinc/59/54/90/405595490.db2.gz VXIKUPRQULIYNQ-DOTOQJQBSA-N 0 3 311.385 2.463 20 30 DEEDHN C=CCC[C@H](O)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494244592 405669007 /nfs/dbraw/zinc/66/90/07/405669007.db2.gz KDDQOKIFAWNXDS-NUTKFTJISA-N 0 3 324.371 2.153 20 30 DEEDHN C=C(C)CCNC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000458988227 405680269 /nfs/dbraw/zinc/68/02/69/405680269.db2.gz AEFJWIXTMIAQNE-UHFFFAOYSA-N 0 3 322.497 2.153 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000457090941 405692869 /nfs/dbraw/zinc/69/28/69/405692869.db2.gz MOZZJQLMLTUAQC-MSOLQXFVSA-N 0 3 324.428 2.182 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000459043723 405711518 /nfs/dbraw/zinc/71/15/18/405711518.db2.gz PDVFNVPQTBMPBZ-UTSKFRMZSA-N 0 3 321.465 2.092 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000459046133 405712838 /nfs/dbraw/zinc/71/28/38/405712838.db2.gz RTSGGULLYUCALM-CVEARBPZSA-N 0 3 309.454 2.236 20 30 DEEDHN N#CCC[C@@H](C#N)CNc1cccc(CN2CCC(O)CC2)c1 ZINC000582322875 405706430 /nfs/dbraw/zinc/70/64/30/405706430.db2.gz CAUNFPAVVJGZTO-INIZCTEOSA-N 0 3 312.417 2.499 20 30 DEEDHN C=CCC1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCCC1 ZINC000459059241 405720388 /nfs/dbraw/zinc/72/03/88/405720388.db2.gz FDHONZMICXHGNS-INIZCTEOSA-N 0 3 323.481 2.269 20 30 DEEDHN COCCN(CC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000457183571 405741443 /nfs/dbraw/zinc/74/14/43/405741443.db2.gz OYSJMJGZGMGVLR-UHFFFAOYSA-N 0 3 315.417 2.285 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000528916649 405743624 /nfs/dbraw/zinc/74/36/24/405743624.db2.gz DZYHLIAHRQFFPP-BUONHZGMSA-N 0 3 300.358 2.393 20 30 DEEDHN CC1CC(C#N)(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000583541797 405754729 /nfs/dbraw/zinc/75/47/29/405754729.db2.gz IGYGHGJCKYDSNN-CRPOECCBSA-N 0 3 313.401 2.132 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459130474 405762694 /nfs/dbraw/zinc/76/26/94/405762694.db2.gz VKIXMMZHJQQWCT-UHFFFAOYSA-N 0 3 306.385 2.179 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459127570 405759386 /nfs/dbraw/zinc/75/93/86/405759386.db2.gz SJRFZBWLWKYFTD-BLLLJJGKSA-N 0 3 318.396 2.179 20 30 DEEDHN Cc1cccc(O[C@@H](C)CNCc2cnc3c(C#N)cnn3c2)c1 ZINC000583995156 405803546 /nfs/dbraw/zinc/80/35/46/405803546.db2.gz OARZVLBCNULUTB-AWEZNQCLSA-N 0 3 321.384 2.467 20 30 DEEDHN C=CCOc1cccc(CN2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669970 405763634 /nfs/dbraw/zinc/76/36/34/405763634.db2.gz YNGKEYWILHREFI-HDICACEKSA-N 0 3 305.418 2.064 20 30 DEEDHN CCN(CC)C(=O)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433169477 405885883 /nfs/dbraw/zinc/88/58/83/405885883.db2.gz XJXQNWLAENAJBB-MRXNPFEDSA-N 0 3 315.417 2.086 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000495645478 405927983 /nfs/dbraw/zinc/92/79/83/405927983.db2.gz SXUXSNXAHVGLEN-MCIONIFRSA-N 0 3 321.421 2.252 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCCC#N ZINC000495727980 405931432 /nfs/dbraw/zinc/93/14/32/405931432.db2.gz KTNDZLVLGXMJDU-KGLIPLIRSA-N 0 3 311.426 2.294 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000495746500 405933445 /nfs/dbraw/zinc/93/34/45/405933445.db2.gz NOKCGSIUTNFJSC-AWEZNQCLSA-N 0 3 323.437 2.390 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496009821 405944043 /nfs/dbraw/zinc/94/40/43/405944043.db2.gz JSFDILDXXMAZBN-STQMWFEESA-N 0 3 309.410 2.299 20 30 DEEDHN C[C@H](C#N)OCCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496066559 405948499 /nfs/dbraw/zinc/94/84/99/405948499.db2.gz KUKDLCOWHBNVQL-CQSZACIVSA-N 0 3 323.437 2.390 20 30 DEEDHN COc1ncccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433219140 405903933 /nfs/dbraw/zinc/90/39/33/405903933.db2.gz GRDOFCGJUNXYSQ-OAHLLOKOSA-N 0 3 309.369 2.479 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(CC2CC2)CC1 ZINC000433314856 405921662 /nfs/dbraw/zinc/92/16/62/405921662.db2.gz CBEFCTGEHQBRCX-SFHVURJKSA-N 0 3 311.429 2.313 20 30 DEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000562442986 406011236 /nfs/dbraw/zinc/01/12/36/406011236.db2.gz BTEPHDWQCCFRCA-CWRNSKLLSA-N 0 3 312.417 2.054 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000450823388 405983052 /nfs/dbraw/zinc/98/30/52/405983052.db2.gz UMOIQLSMJICALR-IBGZPJMESA-N 0 3 316.445 2.294 20 30 DEEDHN COCC1(C#N)CCN(C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450930867 405989280 /nfs/dbraw/zinc/98/92/80/405989280.db2.gz NVKPFZNWJMENDW-NVXWUHKLSA-N 0 3 302.418 2.403 20 30 DEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(CC#N)ccn1 ZINC000531670852 405993026 /nfs/dbraw/zinc/99/30/26/405993026.db2.gz ITSDFVZLVXMMSV-MEDUHNTESA-N 0 3 309.325 2.315 20 30 DEEDHN CC[C@H](CC#N)NCCCN1CCN(c2ccccc2)CC1 ZINC000566982413 406093096 /nfs/dbraw/zinc/09/30/96/406093096.db2.gz VPWFFIMEEGGMCS-QGZVFWFLSA-N 0 3 300.450 2.481 20 30 DEEDHN CC1(C)[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000514840937 406054817 /nfs/dbraw/zinc/05/48/17/406054817.db2.gz YLKPJDXMBVETTR-IMJJTQAJSA-N 0 3 319.449 2.122 20 30 DEEDHN CC[C@@H]1OCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000459814651 406055687 /nfs/dbraw/zinc/05/56/87/406055687.db2.gz XIRSEZWFWOVOBL-CVEARBPZSA-N 0 3 301.390 2.090 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000460765788 406079958 /nfs/dbraw/zinc/07/99/58/406079958.db2.gz DJVXRTKERLJQPJ-KRWDZBQOSA-N 0 3 324.513 2.400 20 30 DEEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000518927881 406166861 /nfs/dbraw/zinc/16/68/61/406166861.db2.gz WMZQHYSDPMZIOY-OKZBNKHCSA-N 0 3 309.413 2.358 20 30 DEEDHN C=CCCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567710319 406123937 /nfs/dbraw/zinc/12/39/37/406123937.db2.gz IXNIHNHBIUVKBT-UHFFFAOYSA-N 0 3 312.391 2.314 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(O)cc2)cc1 ZINC000472340894 406138589 /nfs/dbraw/zinc/13/85/89/406138589.db2.gz WFNMPLUNTYUUQG-QGZVFWFLSA-N 0 3 319.364 2.305 20 30 DEEDHN C=C(C)COCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000475057705 406145597 /nfs/dbraw/zinc/14/55/97/406145597.db2.gz FZRLPURNTQRZLJ-UHFFFAOYSA-N 0 3 323.481 2.487 20 30 DEEDHN CN1CC[C@@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 ZINC000534280029 406176398 /nfs/dbraw/zinc/17/63/98/406176398.db2.gz OPYBMDMWRGBOTP-YPMHNXCESA-N 0 3 322.206 2.082 20 30 DEEDHN CN1CCC[C@@H](CNc2ncncc2C#N)[C@H]1c1cccs1 ZINC000519547837 406210008 /nfs/dbraw/zinc/21/00/08/406210008.db2.gz ZANUODFHEVWVCU-WFASDCNBSA-N 0 3 313.430 2.327 20 30 DEEDHN C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000519598877 406219625 /nfs/dbraw/zinc/21/96/25/406219625.db2.gz YPGGYTUORBSKIX-UKRRQHHQSA-N 0 3 321.446 2.285 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000537229445 406285850 /nfs/dbraw/zinc/28/58/50/406285850.db2.gz HIAOXFPGSAACFJ-LPHOPBHVSA-N 0 3 316.445 2.484 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cccc(C#N)c1F ZINC000488699150 406339273 /nfs/dbraw/zinc/33/92/73/406339273.db2.gz NRVGBTNEFRLFBE-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000570174148 406357297 /nfs/dbraw/zinc/35/72/97/406357297.db2.gz RUNXCPLIQUWCQU-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000569788676 406302230 /nfs/dbraw/zinc/30/22/30/406302230.db2.gz VFYQQFXFPLDJKH-CQSZACIVSA-N 0 3 317.408 2.382 20 30 DEEDHN O=C1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCN1 ZINC000634967331 406377389 /nfs/dbraw/zinc/37/73/89/406377389.db2.gz LJIDPSWWGDEISX-CQSZACIVSA-N 0 3 310.319 2.315 20 30 DEEDHN C=CCCCS(=O)(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000489094817 406377823 /nfs/dbraw/zinc/37/78/23/406377823.db2.gz CNAUFNJQKBEHON-AWEZNQCLSA-N 0 3 302.484 2.383 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC000489117406 406378875 /nfs/dbraw/zinc/37/88/75/406378875.db2.gz PSPVJOQYQTYTPD-HNNXBMFYSA-N 0 3 302.484 2.383 20 30 DEEDHN C#CCN1CCC(C(=O)N(CCC)CCN2CCCCC2)CC1 ZINC000491095962 406527613 /nfs/dbraw/zinc/52/76/13/406527613.db2.gz OBLIHPNJMHWNIQ-UHFFFAOYSA-N 0 3 319.493 2.056 20 30 DEEDHN N#Cc1cncc(NCC2(N3CCSCC3)CCCC2)n1 ZINC000571512798 406529788 /nfs/dbraw/zinc/52/97/88/406529788.db2.gz UPKUKTUODTXVKH-UHFFFAOYSA-N 0 3 303.435 2.122 20 30 DEEDHN CSc1ccc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)cc1 ZINC000571755563 406560198 /nfs/dbraw/zinc/56/01/98/406560198.db2.gz HDCDNNVUAUEPBS-UKRRQHHQSA-N 0 3 307.463 2.265 20 30 DEEDHN C#CCN1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000491296525 406563462 /nfs/dbraw/zinc/56/34/62/406563462.db2.gz MKTIVOWMUQBXRB-CVEARBPZSA-N 0 3 322.449 2.404 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000525804085 406504257 /nfs/dbraw/zinc/50/42/57/406504257.db2.gz ICEQDCJXULLIDA-ZDUSSCGKSA-N 0 3 303.431 2.108 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000525827444 406507434 /nfs/dbraw/zinc/50/74/34/406507434.db2.gz PNLKAUZIGDWCFT-DLTLXFJOSA-N 0 3 311.385 2.313 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)CC1 ZINC000491072139 406524555 /nfs/dbraw/zinc/52/45/55/406524555.db2.gz PZDYWGLLVOLYIT-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN CSC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCN(C)CC1 ZINC000571494562 406526931 /nfs/dbraw/zinc/52/69/31/406526931.db2.gz BUYJDMWSPTXVBD-KRWDZBQOSA-N 0 3 321.490 2.404 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000491451460 406596030 /nfs/dbraw/zinc/59/60/30/406596030.db2.gz GKEOGOQOGCTSCG-QGZVFWFLSA-N 0 3 313.445 2.069 20 30 DEEDHN N#Cc1cnn2cc(CNCCc3c(F)cccc3F)cnc12 ZINC000550156977 406600229 /nfs/dbraw/zinc/60/02/29/406600229.db2.gz ONOQOHKKLZTRFV-UHFFFAOYSA-N 0 3 313.311 2.211 20 30 DEEDHN CC(C#N)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491518443 406609948 /nfs/dbraw/zinc/60/99/48/406609948.db2.gz LIFFJFXIYMFFHF-OLZOCXBDSA-N 0 3 309.410 2.299 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491568450 406625950 /nfs/dbraw/zinc/62/59/50/406625950.db2.gz MINKXMDEELSNGA-FRRDWIJNSA-N 0 3 309.410 2.298 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccccc2OCC)CC1 ZINC000491696976 406673396 /nfs/dbraw/zinc/67/33/96/406673396.db2.gz PBGZKANBYZLWTQ-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C#C[C@H](NC(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccc(Cl)cc1 ZINC000491723237 406688474 /nfs/dbraw/zinc/68/84/74/406688474.db2.gz AUUOYARUCXGRHK-KBMXLJTQSA-N 0 3 317.820 2.360 20 30 DEEDHN C#CCN(C(=O)NCCCN1CCCO[C@@H](C)C1)C1CCCC1 ZINC000491640912 406646175 /nfs/dbraw/zinc/64/61/75/406646175.db2.gz YXTQAILYMBPXRK-INIZCTEOSA-N 0 3 321.465 2.075 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1NC1CCN(CC)CC1 ZINC000641267754 406735615 /nfs/dbraw/zinc/73/56/15/406735615.db2.gz ZNYUURRCDVMLTH-UHFFFAOYSA-N 0 3 323.462 2.047 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C\CN(C)C)c1 ZINC000491873871 406758073 /nfs/dbraw/zinc/75/80/73/406758073.db2.gz VBSZSJVBOLTXTH-WUKHSURWSA-N 0 3 301.390 2.102 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000491765556 406707689 /nfs/dbraw/zinc/70/76/89/406707689.db2.gz CKTBDNCEOBUAPM-UHFFFAOYSA-N 0 3 323.440 2.449 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1nc(Cl)sc1Cl ZINC000491785903 406719138 /nfs/dbraw/zinc/71/91/38/406719138.db2.gz SAHGMHGBUHBDBR-UHFFFAOYSA-N 0 3 306.218 2.135 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(-c2csc(C)n2)cc1 ZINC000491791633 406721734 /nfs/dbraw/zinc/72/17/34/406721734.db2.gz ADXGIVKFZLRKKP-UHFFFAOYSA-N 0 3 313.426 2.348 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(OCC#N)cc2)CCN1C ZINC000491933477 406782237 /nfs/dbraw/zinc/78/22/37/406782237.db2.gz BVQNMOINCJWOBD-YOPWKTHZSA-N 0 3 313.401 2.201 20 30 DEEDHN CN(C)C/C=C\C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000491984311 406800837 /nfs/dbraw/zinc/80/08/37/406800837.db2.gz PDUMRCRFNQTIMS-ARJAWSKDSA-N 0 3 313.401 2.046 20 30 DEEDHN C=CCC(C)(C)CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000554434004 406797904 /nfs/dbraw/zinc/79/79/04/406797904.db2.gz XWHAPPCGGZCKNZ-LJQANCHMSA-N 0 3 316.445 2.342 20 30 DEEDHN CCN1CCCC[C@H]1CNc1ccc(C(=O)OC)nc1C#N ZINC000554800336 406825566 /nfs/dbraw/zinc/82/55/66/406825566.db2.gz OBLROHILSJAHEK-LBPRGKRZSA-N 0 3 302.378 2.026 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(F)c1C#N ZINC000571446217 292549909 /nfs/dbraw/zinc/54/99/09/292549909.db2.gz HRCWWISZDCOBOJ-LBPRGKRZSA-N 0 3 303.381 2.500 20 30 DEEDHN CCO[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000128947899 196006149 /nfs/dbraw/zinc/00/61/49/196006149.db2.gz RQUMWSUKXDHIKJ-HNNXBMFYSA-N 0 3 301.390 2.388 20 30 DEEDHN Cc1noc(C(C)C)c1C(=O)NCC1CCN(CCO)CC1 ZINC000330494601 226011315 /nfs/dbraw/zinc/01/13/15/226011315.db2.gz STDFKECQLLIUCS-UHFFFAOYSA-N 0 3 309.410 2.115 20 30 DEEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H](C)CO)CC1 ZINC000330800423 226033058 /nfs/dbraw/zinc/03/30/58/226033058.db2.gz IQSDQKLZPMGVDG-LSDHHAIUSA-N 0 3 319.449 2.344 20 30 DEEDHN Cc1c(CNC(=O)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000331085617 226057991 /nfs/dbraw/zinc/05/79/91/226057991.db2.gz CPAOBEWQCJQALK-AWEZNQCLSA-N 0 3 320.393 2.343 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000333426092 226106482 /nfs/dbraw/zinc/10/64/82/226106482.db2.gz SRARTTRBXNPKBW-GDBMZVCRSA-N 0 3 319.449 2.028 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000333434922 226106525 /nfs/dbraw/zinc/10/65/25/226106525.db2.gz VEJYJYDIUBCRKJ-LSDHHAIUSA-N 0 3 304.438 2.339 20 30 DEEDHN N#CCCOCCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000338895922 226174555 /nfs/dbraw/zinc/17/45/55/226174555.db2.gz ZEPROHBDSCNUDB-HNNXBMFYSA-N 0 3 301.390 2.267 20 30 DEEDHN C#CCN(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000291202727 222217829 /nfs/dbraw/zinc/21/78/29/222217829.db2.gz ITXRFJBUUARAQP-CQSZACIVSA-N 0 3 305.447 2.235 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000291388815 222358300 /nfs/dbraw/zinc/35/83/00/222358300.db2.gz XJWAUWYNGMKHPH-PBHICJAKSA-N 0 3 317.433 2.397 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2cc(C)ccc2F)C[C@@H]1C ZINC001328262502 1148758261 /nfs/dbraw/zinc/75/82/61/1148758261.db2.gz XQIADQXBZQFOPF-LSDHHAIUSA-N 0 3 318.392 2.115 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc(C)nc2C(C)C)[C@H]1C ZINC001088897048 782031377 /nfs/dbraw/zinc/03/13/77/782031377.db2.gz PJPDJQTVGPFKQQ-CJNGLKHVSA-N 0 3 314.433 2.124 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)n([C@@H](C)CC)n2)CC1 ZINC000490924428 421194247 /nfs/dbraw/zinc/19/42/47/421194247.db2.gz OWCMQZPCRWBOTD-ZDUSSCGKSA-N 0 3 302.422 2.446 20 30 DEEDHN C=CCC1(C(=O)Nc2ccn(C3CCN(C)CC3)n2)CCC1 ZINC000373236399 424885826 /nfs/dbraw/zinc/88/58/26/424885826.db2.gz IGDNVURPVHFIEM-UHFFFAOYSA-N 0 3 302.422 2.835 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cnc(C3CCCC3)nc2N)CCN1C ZINC000329270648 424904332 /nfs/dbraw/zinc/90/43/32/424904332.db2.gz HOXWGGBHVUOYSF-DGCLKSJQSA-N 0 3 317.437 2.504 20 30 DEEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000569378260 424923166 /nfs/dbraw/zinc/92/31/66/424923166.db2.gz MEJYYDSYENHMKN-UHFFFAOYSA-N 0 3 320.393 2.839 20 30 DEEDHN CC(C)CN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000439087284 425037013 /nfs/dbraw/zinc/03/70/13/425037013.db2.gz CWEVFMBUMKJZHL-CQSZACIVSA-N 0 3 317.393 2.784 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCN1CCCCC1 ZINC000651076352 425098176 /nfs/dbraw/zinc/09/81/76/425098176.db2.gz CUPQTVKMYPUGAE-HZPDHXFCSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc3n2[C@@H](C)CCC3)CC1 ZINC000651273778 425127046 /nfs/dbraw/zinc/12/70/46/425127046.db2.gz YPBWMAQMLQPIPG-ZDUSSCGKSA-N 0 3 302.422 2.161 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000652024300 425164068 /nfs/dbraw/zinc/16/40/68/425164068.db2.gz OBXIHZZSTDSORU-CABCVRRESA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1[C@H](C)O)C(C)C ZINC000663668502 425210471 /nfs/dbraw/zinc/21/04/71/425210471.db2.gz PSJCGTJPNXHVCL-BBWFWOEESA-N 0 3 323.481 2.240 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C(C)C)C2(CO)CCC2)CC1 ZINC000664021378 425289360 /nfs/dbraw/zinc/28/93/60/425289360.db2.gz YAEHECQTRPNUTB-INIZCTEOSA-N 0 3 323.481 2.123 20 30 DEEDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000430101828 267395254 /nfs/dbraw/zinc/39/52/54/267395254.db2.gz PTYKIXFZHPIABK-LJQANCHMSA-N 0 3 323.396 2.213 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654581865 425388704 /nfs/dbraw/zinc/38/87/04/425388704.db2.gz JVHQRHFMTHQBAA-WCVJEAGWSA-N 0 3 307.438 2.036 20 30 DEEDHN C=CC[C@H]1CCCN(Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000661378933 425395491 /nfs/dbraw/zinc/39/54/91/425395491.db2.gz ORVCOUSSXTVHLI-LBPRGKRZSA-N 0 3 304.419 2.248 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H]2OCc3ccccc32)CC1 ZINC000654747821 425434517 /nfs/dbraw/zinc/43/45/17/425434517.db2.gz NNQVRIQVUJNEDG-QGZVFWFLSA-N 0 3 300.402 2.415 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662112003 425566936 /nfs/dbraw/zinc/56/69/36/425566936.db2.gz CJSDODNEXYSLMB-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN NC[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000655508372 425585798 /nfs/dbraw/zinc/58/57/98/425585798.db2.gz CMGRPFBGPDVAKG-QMMMGPOBSA-N 0 3 318.192 2.464 20 30 DEEDHN C=CCOCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000666521463 425768984 /nfs/dbraw/zinc/76/89/84/425768984.db2.gz ORLUKTZIVGRMLX-UHFFFAOYSA-N 0 3 309.454 2.239 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)s1 ZINC000528022432 268229134 /nfs/dbraw/zinc/22/91/34/268229134.db2.gz RYNHSSKBNNQKOI-CYBMUJFWSA-N 0 3 318.446 2.436 20 30 DEEDHN C#CCN(C)CCCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000294865290 275380873 /nfs/dbraw/zinc/38/08/73/275380873.db2.gz CHESGLWPCDKVBA-INIZCTEOSA-N 0 3 300.381 2.183 20 30 DEEDHN C#CCNC(=O)CCN1CCC(c2c(F)cccc2F)CC1 ZINC000491484387 275383183 /nfs/dbraw/zinc/38/31/83/275383183.db2.gz IRYLKVLQJVJXKR-UHFFFAOYSA-N 0 3 306.356 2.284 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)CCc2ccc(C#N)cc2)CCSC1 ZINC000359686894 276787413 /nfs/dbraw/zinc/78/74/13/276787413.db2.gz OAYWNEHHJHGEMX-QGZVFWFLSA-N 0 3 317.458 2.044 20 30 DEEDHN CN(C)CCOC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000342708278 276791891 /nfs/dbraw/zinc/79/18/91/276791891.db2.gz GVNDVGPKRIIVAY-UHFFFAOYSA-N 0 3 318.377 2.013 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@]1(C)CCOC1)C(C)C ZINC000122873410 277851812 /nfs/dbraw/zinc/85/18/12/277851812.db2.gz IITGGGMPEFIYES-NVXWUHKLSA-N 0 3 309.454 2.163 20 30 DEEDHN CC(C)[C@H](NCCC1(C#N)CCCCC1)C(=O)N1CCOCC1 ZINC000411476055 277916571 /nfs/dbraw/zinc/91/65/71/277916571.db2.gz TXDUKKVPVAPGLL-INIZCTEOSA-N 0 3 321.465 2.324 20 30 DEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](N2CCCC2)C1 ZINC000170712389 278215475 /nfs/dbraw/zinc/21/54/75/278215475.db2.gz HXKOVLXAQSESJH-HOCLYGCPSA-N 0 3 312.417 2.055 20 30 DEEDHN CC(C)(C#N)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000350987998 278259251 /nfs/dbraw/zinc/25/92/51/278259251.db2.gz JASZNORWKQTTLM-UHFFFAOYSA-N 0 3 324.494 2.197 20 30 DEEDHN CCN(Cc1ccc(C(=O)N2CCOC[C@@H]2C#N)cc1)C1CC1 ZINC000329808623 279234669 /nfs/dbraw/zinc/23/46/69/279234669.db2.gz LZSOVCMMHIPEMT-KRWDZBQOSA-N 0 3 313.401 2.035 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCCn2cc(Br)ccc2=O)C1 ZINC000449378561 279483299 /nfs/dbraw/zinc/48/32/99/279483299.db2.gz REHXGQYQDUFNPR-YPMHNXCESA-N 0 3 324.222 2.283 20 30 DEEDHN CN(C)C1(CNC(=O)N[C@@H]2CCCC23CCOCC3)CCC1 ZINC000328850650 282026013 /nfs/dbraw/zinc/02/60/13/282026013.db2.gz WNURVDDOQFKDBA-CQSZACIVSA-N 0 3 309.454 2.324 20 30 DEEDHN C[C@H](C(=O)N[C@H](CO)CN1CCCCC1)N1CCCCCC1 ZINC000329160742 289232158 /nfs/dbraw/zinc/23/21/58/289232158.db2.gz FJBWVTMDQMHUPV-CVEARBPZSA-N 0 3 311.470 2.054 20 30 DEEDHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N(C)C[C@H]1CC=CCC1 ZINC000330819860 289258327 /nfs/dbraw/zinc/25/83/27/289258327.db2.gz FKBPNOKELGNAGW-MNOVXSKESA-N 0 3 321.343 2.256 20 30 DEEDHN CO[C@]1(C)C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451501129 294875330 /nfs/dbraw/zinc/87/53/30/294875330.db2.gz YZVWFNCMYODCGD-WMLDXEAASA-N 0 3 321.465 2.464 20 30 DEEDHN CSCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)C ZINC000352495018 295606227 /nfs/dbraw/zinc/60/62/27/295606227.db2.gz HXJQBOURPFESFO-WFASDCNBSA-N 0 3 305.447 2.419 20 30 DEEDHN C[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450545833 300295816 /nfs/dbraw/zinc/29/58/16/300295816.db2.gz BRCIEFJJHDXZNI-GFCCVEGCSA-N 0 3 300.362 2.387 20 30 DEEDHN Fc1ccc(C#CCN[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000365620443 303129442 /nfs/dbraw/zinc/12/94/42/303129442.db2.gz HJWQYVQFBYHTNM-MOPGFXCFSA-N 0 3 316.420 2.410 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@H]1C ZINC001088944901 782069080 /nfs/dbraw/zinc/06/90/80/782069080.db2.gz FZKBQMKILAQWDB-DOMZBBRYSA-N 0 3 310.401 2.087 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nsnc32)[C@H]1C ZINC001088951559 782072747 /nfs/dbraw/zinc/07/27/47/782072747.db2.gz VJVBLNPPAUJRSF-PWSUYJOCSA-N 0 3 302.403 2.070 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001349522097 1151257594 /nfs/dbraw/zinc/25/75/94/1151257594.db2.gz NRJAZNJDAKTZTM-SJLPKXTDSA-N 0 3 317.433 2.151 20 30 DEEDHN CN(C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000573185791 326030010 /nfs/dbraw/zinc/03/00/10/326030010.db2.gz KSGRIFPWLCCIJZ-JKSUJKDBSA-N 0 3 323.400 2.059 20 30 DEEDHN C[C@H](CNC(=O)Nc1cccc(C#N)n1)N1CCCC[C@H]1C ZINC000574398122 326150829 /nfs/dbraw/zinc/15/08/29/326150829.db2.gz OTSVQOUAAWTORB-CHWSQXEVSA-N 0 3 301.394 2.338 20 30 DEEDHN N#Cc1ccc(OC2CCC(NCc3cnccn3)CC2)nc1 ZINC000575338191 326235395 /nfs/dbraw/zinc/23/53/95/326235395.db2.gz VNXZDLPDYZJOBI-UHFFFAOYSA-N 0 3 309.373 2.223 20 30 DEEDHN CC(C)(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556832291 331738369 /nfs/dbraw/zinc/73/83/69/331738369.db2.gz GGOJLLKLQYBRSO-UHFFFAOYSA-N 0 3 308.385 2.433 20 30 DEEDHN C=CCn1c(CC)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000569438504 332082882 /nfs/dbraw/zinc/08/28/82/332082882.db2.gz UCQYOLMDGVVGMJ-RBSFLKMASA-N 0 3 303.454 2.193 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)N[C@H](C)CC#N)c2)CC1 ZINC000185713779 333212737 /nfs/dbraw/zinc/21/27/37/333212737.db2.gz WSIXNDOAMZGTNT-CQSZACIVSA-N 0 3 315.421 2.252 20 30 DEEDHN C[C@@H]1CN(CCCSCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000495858324 333375213 /nfs/dbraw/zinc/37/52/13/333375213.db2.gz KQRWRDWQQCDTND-CHWSQXEVSA-N 0 3 313.467 2.478 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccccc2OC(F)F)CC1 ZINC000050026818 334362287 /nfs/dbraw/zinc/36/22/87/334362287.db2.gz HXDIJCKEMYOKKK-UHFFFAOYSA-N 0 3 322.355 2.249 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000343764520 335191274 /nfs/dbraw/zinc/19/12/74/335191274.db2.gz LXHMBHQMLNOONR-HNNXBMFYSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)COC3)[C@H]1C ZINC001089002329 782108490 /nfs/dbraw/zinc/10/84/90/782108490.db2.gz HZWRTUOTQYPQQQ-DYVFJYSZSA-N 0 3 300.402 2.024 20 30 DEEDHN N#CCCNCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000582541696 337106946 /nfs/dbraw/zinc/10/69/46/337106946.db2.gz GLMYOTWQBDPXJH-UHFFFAOYSA-N 0 3 306.841 2.355 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000583031900 337231255 /nfs/dbraw/zinc/23/12/55/337231255.db2.gz BBFIGLZCAQTEFJ-KUHUBIRLSA-N 0 3 320.396 2.433 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000584563883 337362960 /nfs/dbraw/zinc/36/29/60/337362960.db2.gz QUVQUTVYCGKJLL-CQSZACIVSA-N 0 3 317.458 2.249 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H]2CCCN2C1=O)C(C)C ZINC000272261738 337647851 /nfs/dbraw/zinc/64/78/51/337647851.db2.gz MHBVZLFVLCBKDU-GJZGRUSLSA-N 0 3 305.422 2.112 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn(CCCC)c2C)CC1 ZINC000122465771 337918918 /nfs/dbraw/zinc/91/89/18/337918918.db2.gz RCVQWQSRAQYBDA-UHFFFAOYSA-N 0 3 302.422 2.275 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H](O)C1(C)C)C(C)C ZINC000429941512 338092414 /nfs/dbraw/zinc/09/24/14/338092414.db2.gz KAZQLVOCYKYLDX-OWCLPIDISA-N 0 3 323.481 2.144 20 30 DEEDHN C[C@H](C#N)OCCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496601025 340008613 /nfs/dbraw/zinc/00/86/13/340008613.db2.gz UJDMPFMYQFKNJU-CYBMUJFWSA-N 0 3 311.426 2.294 20 30 DEEDHN COCCN(CCN[C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496619140 340009008 /nfs/dbraw/zinc/00/90/08/340009008.db2.gz WWPJAZJAMJEFSC-ZIAGYGMSSA-N 0 3 311.426 2.152 20 30 DEEDHN COCCN(CCN[C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496619137 340009017 /nfs/dbraw/zinc/00/90/17/340009017.db2.gz WWPJAZJAMJEFSC-KBPBESRZSA-N 0 3 311.426 2.152 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000187309955 340519025 /nfs/dbraw/zinc/51/90/25/340519025.db2.gz VMXFJHPCMCBBDD-IAGOWNOFSA-N 0 3 306.450 2.042 20 30 DEEDHN CCOc1ccc(OC[C@H](O)CN2CCC(CC#N)CC2)cc1 ZINC000543807004 341059931 /nfs/dbraw/zinc/05/99/31/341059931.db2.gz JQTBAQWLIUGCBC-MRXNPFEDSA-N 0 3 318.417 2.451 20 30 DEEDHN CCC(=O)N1CC[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000134521292 341217034 /nfs/dbraw/zinc/21/70/34/341217034.db2.gz BCWIALDHUBFMRY-MRXNPFEDSA-N 0 3 315.417 2.470 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1OC ZINC000248833274 341388106 /nfs/dbraw/zinc/38/81/06/341388106.db2.gz MLSNIISOSSMQHA-IJEWVQPXSA-N 0 3 309.454 2.224 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000565290525 341522847 /nfs/dbraw/zinc/52/28/47/341522847.db2.gz GBLHNYNRGQNLLS-RRFJBIMHSA-N 0 3 319.449 2.265 20 30 DEEDHN C=CCCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001357087843 1152240483 /nfs/dbraw/zinc/24/04/83/1152240483.db2.gz LGMRMYHTDONXQI-HOTGVXAUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CC2(C1)CCOCC2 ZINC001377101122 1159899035 /nfs/dbraw/zinc/89/90/35/1159899035.db2.gz OGFALCAJFKCTLI-CYBMUJFWSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001358552573 1152408920 /nfs/dbraw/zinc/40/89/20/1152408920.db2.gz LMZVFEGHNKBMPG-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)Cn2ccnc2C)CC1 ZINC001369578195 1149048903 /nfs/dbraw/zinc/04/89/03/1149048903.db2.gz WMYYVVQXYQMGKI-ZDUSSCGKSA-N 0 3 324.856 2.161 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cnn(C)c1C ZINC001099101892 782158135 /nfs/dbraw/zinc/15/81/35/782158135.db2.gz GKRDCUCNDLWEBD-INIZCTEOSA-N 0 3 318.465 2.064 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2C1 ZINC001330308928 1149089945 /nfs/dbraw/zinc/08/99/45/1149089945.db2.gz JQKCSQHELLFVLF-LDLYASANSA-N 0 3 322.452 2.426 20 30 DEEDHN CCC[C@H](C(=O)NC[C@@H]1[C@H]2CN(CC#CCOC)C[C@H]21)C(C)C ZINC001330339942 1149095460 /nfs/dbraw/zinc/09/54/60/1149095460.db2.gz MBZKUSZJUGZTBL-XLAORIBOSA-N 0 3 320.477 2.003 20 30 DEEDHN Cc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)n(C)n1 ZINC000418069656 534170639 /nfs/dbraw/zinc/17/06/39/534170639.db2.gz QAKMQTXEBYKTFY-UHFFFAOYSA-N 0 3 311.433 2.164 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCO)C2)CCCCC1 ZINC000452383195 534593096 /nfs/dbraw/zinc/59/30/96/534593096.db2.gz BMROMNNGFVALHT-INIZCTEOSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCc1ccc(C(C)C)cc1 ZINC000451597422 534607663 /nfs/dbraw/zinc/60/76/63/534607663.db2.gz ICFUKSLVECMBQA-MSOLQXFVSA-N 0 3 316.445 2.402 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000451605927 534610618 /nfs/dbraw/zinc/61/06/18/534610618.db2.gz LJPCMBUCKUEPQX-KMUNFCNLSA-N 0 3 319.792 2.472 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000451612144 534611125 /nfs/dbraw/zinc/61/11/25/534611125.db2.gz ZLZIBJNNIYUQMZ-FMKPAKJESA-N 0 3 304.365 2.254 20 30 DEEDHN CCn1ccnc1[C@H]1OCC[C@H]1NCc1cc(C#N)cs1 ZINC000339324710 523561537 /nfs/dbraw/zinc/56/15/37/523561537.db2.gz AJSFTDFHQBUWTL-KGLIPLIRSA-N 0 3 302.403 2.456 20 30 DEEDHN N#Cc1cccc(C2(NC[C@H](O)COCC(F)(F)F)CC2)c1 ZINC000292799373 534803187 /nfs/dbraw/zinc/80/31/87/534803187.db2.gz BKJYIVCQVAAWLN-ZDUSSCGKSA-N 0 3 314.307 2.077 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000338137056 525542220 /nfs/dbraw/zinc/54/22/20/525542220.db2.gz PJODLZAOGUNRRL-INIZCTEOSA-N 0 3 303.431 2.034 20 30 DEEDHN C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1CSCCN1 ZINC000237823205 526360674 /nfs/dbraw/zinc/36/06/74/526360674.db2.gz UYSLQSCRNQLNAQ-CQSZACIVSA-N 0 3 308.422 2.435 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000424749665 526433877 /nfs/dbraw/zinc/43/38/77/526433877.db2.gz REMMBOWPODCMEV-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2OC)CC1 ZINC000340968707 526589875 /nfs/dbraw/zinc/58/98/75/526589875.db2.gz CVIDWNDSKNVQRY-HOCLYGCPSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000330646078 526596505 /nfs/dbraw/zinc/59/65/05/526596505.db2.gz GPLJNOSPUXRFEP-ZDUSSCGKSA-N 0 3 318.465 2.297 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2occ3c2CCOC3)CC1 ZINC000375643107 526601466 /nfs/dbraw/zinc/60/14/66/526601466.db2.gz USXXMCCIHGENEJ-UHFFFAOYSA-N 0 3 304.390 2.123 20 30 DEEDHN C=C(C)COc1cc(CN2CC[C@H](CC(N)=O)C2)ccc1OC ZINC000368136200 526660068 /nfs/dbraw/zinc/66/00/68/526660068.db2.gz TXTJIGFANUQJGN-OAHLLOKOSA-N 0 3 318.417 2.347 20 30 DEEDHN C#CCCCCC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368326466 526686375 /nfs/dbraw/zinc/68/63/75/526686375.db2.gz GOTXJKWMZDJBKX-UHFFFAOYSA-N 0 3 319.493 2.056 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC2CCN(CC=C)CC2)cc1 ZINC000294719098 526739901 /nfs/dbraw/zinc/73/99/01/526739901.db2.gz UXIFYEPFWRMQJZ-UHFFFAOYSA-N 0 3 312.413 2.469 20 30 DEEDHN C#CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000297594833 526792949 /nfs/dbraw/zinc/79/29/49/526792949.db2.gz VLYKBPLYXMJQBF-OAHLLOKOSA-N 0 3 305.447 2.286 20 30 DEEDHN C=C(C)[C@H](NC[C@@H](O)COCCOC)c1ccc(F)c(F)c1 ZINC000295727428 526819938 /nfs/dbraw/zinc/81/99/38/526819938.db2.gz LQPFLXOPMFQVAY-CJNGLKHVSA-N 0 3 315.360 2.196 20 30 DEEDHN C#CCN(C)CCCNc1cccc(C(=O)OC(C)(C)C)n1 ZINC000292683359 526828891 /nfs/dbraw/zinc/82/88/91/526828891.db2.gz DUDMULKVCSRQRN-UHFFFAOYSA-N 0 3 303.406 2.404 20 30 DEEDHN C=C(CC)CN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000358492952 526852779 /nfs/dbraw/zinc/85/27/79/526852779.db2.gz BRPARLJKRAYBLB-CQSZACIVSA-N 0 3 308.426 2.251 20 30 DEEDHN C#CCNC(=O)CCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000292983088 526978693 /nfs/dbraw/zinc/97/86/93/526978693.db2.gz FKGGPLUNOOHDOT-INIZCTEOSA-N 0 3 302.443 2.224 20 30 DEEDHN C=CCSc1ccccc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000419971848 527010265 /nfs/dbraw/zinc/01/02/65/527010265.db2.gz FLBRCAGIDTZLLB-QGZVFWFLSA-N 0 3 322.474 2.397 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000294807727 527072268 /nfs/dbraw/zinc/07/22/68/527072268.db2.gz BVGUZTUNUNJLOI-SJORKVTESA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000338662404 527075312 /nfs/dbraw/zinc/07/53/12/527075312.db2.gz ISOCOAQBUXFKII-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341264231 527077542 /nfs/dbraw/zinc/07/75/42/527077542.db2.gz HDYJPOVLGAWPBO-SNVBAGLBSA-N 0 3 316.304 2.470 20 30 DEEDHN CC(C)(CN1CCOCC1)NCC#Cc1cccc(Cl)c1 ZINC000411996521 527086476 /nfs/dbraw/zinc/08/64/76/527086476.db2.gz CLBSNASWPNONOW-UHFFFAOYSA-N 0 3 306.837 2.392 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000372841203 527093375 /nfs/dbraw/zinc/09/33/75/527093375.db2.gz SBRJFJSQXPAGBT-UHFFFAOYSA-N 0 3 312.413 2.399 20 30 DEEDHN C=CCc1cc(CN2CC[C@](O)(C3CC3)C2)cc(OC)c1O ZINC000376045103 527238795 /nfs/dbraw/zinc/23/87/95/527238795.db2.gz VISGGPBBQQBSMI-GOSISDBHSA-N 0 3 303.402 2.476 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@](C)(O)C1 ZINC000245936838 527265338 /nfs/dbraw/zinc/26/53/38/527265338.db2.gz QFWKJCDVWRMJOX-AEFFLSMTSA-N 0 3 305.418 2.002 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000337844822 527313232 /nfs/dbraw/zinc/31/32/32/527313232.db2.gz GUWPRQSKAVSUPO-HNNXBMFYSA-N 0 3 303.454 2.193 20 30 DEEDHN C=CCC[C@@H](CO)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000413317526 527427284 /nfs/dbraw/zinc/42/72/84/527427284.db2.gz MJPSXUWNWIGXAT-LBPRGKRZSA-N 0 3 302.374 2.413 20 30 DEEDHN CC(C)(C#N)CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000331140324 527459406 /nfs/dbraw/zinc/45/94/06/527459406.db2.gz GPXHZLJKZBWBLP-HNNXBMFYSA-N 0 3 301.390 2.132 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000330800882 527969652 /nfs/dbraw/zinc/96/96/52/527969652.db2.gz AFKXXEAQTCPZAL-GJZGRUSLSA-N 0 3 314.433 2.301 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@@H]1OC(F)F ZINC000337408903 528697267 /nfs/dbraw/zinc/69/72/67/528697267.db2.gz MUBHDROTFPYGOH-UPJWGTAASA-N 0 3 317.380 2.135 20 30 DEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)CN(C)C ZINC000349180193 534974518 /nfs/dbraw/zinc/97/45/18/534974518.db2.gz WIMFMHWOGBABMY-GFCCVEGCSA-N 0 3 304.394 2.417 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C12CCC2 ZINC000451475601 535512009 /nfs/dbraw/zinc/51/20/09/535512009.db2.gz SWNPJQKWMNVTSD-LJIGWXMPSA-N 0 3 321.465 2.367 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@](C)(O)C1CC1)C(C)C ZINC001378961972 1152507946 /nfs/dbraw/zinc/50/79/46/1152507946.db2.gz PIBVCDPPOKQUCA-HIFRSBDPSA-N 0 3 302.846 2.020 20 30 DEEDHN C/C=C/COc1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000835066233 649874400 /nfs/dbraw/zinc/87/44/00/649874400.db2.gz VEVKTIBVVAMNAN-WOMSROEHSA-N 0 3 312.369 2.171 20 30 DEEDHN Cc1cccc2c1O[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C2 ZINC000835071319 649874983 /nfs/dbraw/zinc/87/49/83/649874983.db2.gz OKHLPBKVXHDKFK-LSDHHAIUSA-N 0 3 312.369 2.066 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cnn(C)c2)CC1 ZINC001368775002 1148649348 /nfs/dbraw/zinc/64/93/48/1148649348.db2.gz QDMFROXXAAVAQE-UHFFFAOYSA-N 0 3 324.856 2.347 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001379564257 1152643691 /nfs/dbraw/zinc/64/36/91/1152643691.db2.gz QKTDIMUTLRSCBY-KNXALSJPSA-N 0 3 315.392 2.338 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835341181 649908562 /nfs/dbraw/zinc/90/85/62/649908562.db2.gz SGDXLLLNMHTHCA-KGLIPLIRSA-N 0 3 322.792 2.480 20 30 DEEDHN C=CC[NH+]1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735428165 598373802 /nfs/dbraw/zinc/37/38/02/598373802.db2.gz HZWDXEQCKSFDRK-UHFFFAOYSA-N 0 3 302.357 2.068 20 30 DEEDHN C=CC[NH+]1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735428165 598373804 /nfs/dbraw/zinc/37/38/04/598373804.db2.gz HZWDXEQCKSFDRK-UHFFFAOYSA-N 0 3 302.357 2.068 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)[C@H](C)CO4)[C@@H]2C1 ZINC000978622519 634378676 /nfs/dbraw/zinc/37/86/76/634378676.db2.gz BUNPXOKOYHKHDW-PILAGYSTSA-N 0 3 324.424 2.113 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cccn1C ZINC001379634984 1152659665 /nfs/dbraw/zinc/65/96/65/1152659665.db2.gz WBANDQUJYNYOPK-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC001379702786 1152676523 /nfs/dbraw/zinc/67/65/23/1152676523.db2.gz IAKSMBHRNAEGKF-NSHDSACASA-N 0 3 310.829 2.091 20 30 DEEDHN C[C@H]([N-]C(=O)C(C)(F)F)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001381347097 1153013096 /nfs/dbraw/zinc/01/30/96/1153013096.db2.gz HMNXECXBHBQCQR-UWVGGRQHSA-N 0 3 313.323 2.335 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001025233074 625294930 /nfs/dbraw/zinc/29/49/30/625294930.db2.gz UAHGFNCTWAXBDG-CABCVRRESA-N 0 3 302.422 2.363 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2conc2C(F)(F)F)C1 ZINC001023487403 625295376 /nfs/dbraw/zinc/29/53/76/625295376.db2.gz HRGUMSSIIVXFOB-JTQLQIEISA-N 0 3 317.311 2.321 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(C)onc2C2CC2)C1 ZINC001023492922 625297399 /nfs/dbraw/zinc/29/73/99/625297399.db2.gz IKFTVSGMVAKEHD-ZDUSSCGKSA-N 0 3 303.406 2.488 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn(C)c1C ZINC001025269326 625315901 /nfs/dbraw/zinc/31/59/01/625315901.db2.gz OLXJINYSJZDFGV-MSOLQXFVSA-N 0 3 313.445 2.426 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cncc(C#C)c1 ZINC001025270042 625316422 /nfs/dbraw/zinc/31/64/22/625316422.db2.gz ZVHWDTAFYQHGNA-RTBURBONSA-N 0 3 321.424 2.155 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001023559878 625326764 /nfs/dbraw/zinc/32/67/64/625326764.db2.gz FXLGNPZVMKDOBW-ZDUSSCGKSA-N 0 3 306.356 2.430 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001025293341 625326981 /nfs/dbraw/zinc/32/69/81/625326981.db2.gz CBSFXDFVJWYDKI-JKSUJKDBSA-N 0 3 302.422 2.065 20 30 DEEDHN CN(Cc1cncc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000930666807 625335363 /nfs/dbraw/zinc/33/53/63/625335363.db2.gz XIZAOPOWYDZTTQ-UHFFFAOYSA-N 0 3 312.339 2.412 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001023619221 625353238 /nfs/dbraw/zinc/35/32/38/625353238.db2.gz DOUGEFFBTPRTJM-QFBILLFUSA-N 0 3 310.441 2.253 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2noc3c2CCCC3)C1 ZINC001023614989 625351519 /nfs/dbraw/zinc/35/15/19/625351519.db2.gz DFUSENCHJPVLSU-ZDUSSCGKSA-N 0 3 303.406 2.181 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1cc(C#N)ccc1F ZINC000893283933 625386840 /nfs/dbraw/zinc/38/68/40/625386840.db2.gz APSDKZXNYDNCRZ-HZPDHXFCSA-N 0 3 316.380 2.075 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(F)nc2)C1 ZINC001025369766 625387488 /nfs/dbraw/zinc/38/74/88/625387488.db2.gz UACRRBILYIWWFH-HIFRSBDPSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2oc(CCC)nc2C)C1 ZINC001023701494 625393198 /nfs/dbraw/zinc/39/31/98/625393198.db2.gz UFDMFOVGGORRNN-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3[nH]ccc3s2)C1 ZINC001023724697 625401915 /nfs/dbraw/zinc/40/19/15/625401915.db2.gz YEEJPCORWCOUEF-LBPRGKRZSA-N 0 3 301.415 2.304 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccccc2OCC)C1 ZINC001023730261 625407203 /nfs/dbraw/zinc/40/72/03/625407203.db2.gz XAWOLGGXSMLAOK-OAHLLOKOSA-N 0 3 300.402 2.160 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC000972661232 625415513 /nfs/dbraw/zinc/41/55/13/625415513.db2.gz GTQMELYXZYEJNS-HUUCEWRRSA-N 0 3 312.417 2.316 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2N(C)C)C1 ZINC001023774199 625434001 /nfs/dbraw/zinc/43/40/01/625434001.db2.gz ASVIIVWAUUVESG-MRXNPFEDSA-N 0 3 313.445 2.218 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001025442287 625437734 /nfs/dbraw/zinc/43/77/34/625437734.db2.gz KRYWYFJGHSKIQW-NEPJUHHUSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001025449440 625445321 /nfs/dbraw/zinc/44/53/21/625445321.db2.gz WCVZCHYWUCROCI-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001025448744 625445344 /nfs/dbraw/zinc/44/53/44/625445344.db2.gz ROMZJLGGAMWGHT-GDBMZVCRSA-N 0 3 324.428 2.368 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001025464304 625459200 /nfs/dbraw/zinc/45/92/00/625459200.db2.gz HXHIAPDPHKQNMC-KBPBESRZSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001025482621 625474368 /nfs/dbraw/zinc/47/43/68/625474368.db2.gz QBTWSLPBXCHYLN-CZUORRHYSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)onc2C2CC2)C1 ZINC001025485714 625477594 /nfs/dbraw/zinc/47/75/94/625477594.db2.gz ONYGJOLXCULFBL-WFASDCNBSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)onc2C2CC2)C1 ZINC001025485712 625477604 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C#CCN1C[C@]2(C)CN(C(=O)COC3CCCCC3)C[C@]2(C)C1 ZINC000982332606 635978117 /nfs/dbraw/zinc/97/81/17/635978117.db2.gz KUPCMQVDPGLKSQ-KDURUIRLSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnn2C2CCCC2)C[C@@H]1C ZINC000947362053 636003635 /nfs/dbraw/zinc/00/36/35/636003635.db2.gz UIVKWHMXXAIKOP-LSDHHAIUSA-N 0 3 314.433 2.214 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3c(C)nn(C)c3C)C[C@]2(C)C1 ZINC000982412271 636014168 /nfs/dbraw/zinc/01/41/68/636014168.db2.gz RFKJKKFMILEGJY-HDICACEKSA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCN1CCC(NC(=O)c2[nH]nc(C(F)(F)F)c2C)CC1 ZINC001003736876 636041986 /nfs/dbraw/zinc/04/19/86/636041986.db2.gz YLOZLXUMEDSXJX-UHFFFAOYSA-N 0 3 316.327 2.117 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1C ZINC001028329911 636134225 /nfs/dbraw/zinc/13/42/25/636134225.db2.gz VIEYSHANNXLUPX-AWEZNQCLSA-N 0 3 318.417 2.392 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC001028370154 636153340 /nfs/dbraw/zinc/15/33/40/636153340.db2.gz AEYOOTLCBUBCHK-INIZCTEOSA-N 0 3 309.369 2.403 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCN(CC#CC)[C@H](C)C2)cc1 ZINC000947778454 636214387 /nfs/dbraw/zinc/21/43/87/636214387.db2.gz CXKLUWXXZCALLA-SJLPKXTDSA-N 0 3 324.424 2.305 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccc(Cl)[nH]3)C[C@]2(C)C1 ZINC000982519232 636218151 /nfs/dbraw/zinc/21/81/51/636218151.db2.gz BDWIFVBWVUPPBJ-IYBDPMFKSA-N 0 3 305.809 2.085 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)c3ccco3)C[C@]2(C)C1 ZINC000982546267 636259372 /nfs/dbraw/zinc/25/93/72/636259372.db2.gz JCLRNQYKJLFSTO-JCGIZDLHSA-N 0 3 300.402 2.187 20 30 DEEDHN Cc1nc(C(=O)NC[C@H]2CCN(Cc3ccc(C#N)cc3)C2)co1 ZINC001028500420 636270726 /nfs/dbraw/zinc/27/07/26/636270726.db2.gz SGBDEHVQBYPGSK-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN C#CCN(C(=O)NCCCC(C)(F)F)C1CCN(C)CC1 ZINC000922646199 636294321 /nfs/dbraw/zinc/29/43/21/636294321.db2.gz FVXXLTKWFGCBLQ-UHFFFAOYSA-N 0 3 301.381 2.161 20 30 DEEDHN C#CCOc1ccccc1CN[C@H]1CCCN(C(=O)OC)C1 ZINC000726607174 636445734 /nfs/dbraw/zinc/44/57/34/636445734.db2.gz ZCURISGJGIDRFE-HNNXBMFYSA-N 0 3 302.374 2.019 20 30 DEEDHN Cc1oncc1CN[C@@H](C)[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004868404 636600192 /nfs/dbraw/zinc/60/01/92/636600192.db2.gz UWEKBQZQETXIIG-SUMWQHHRSA-N 0 3 315.417 2.256 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN(C[C@H](F)CC)C2)cc1 ZINC001028732690 636678880 /nfs/dbraw/zinc/67/88/80/636678880.db2.gz MNHDXAGJMWHREH-NVXWUHKLSA-N 0 3 302.393 2.468 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cnc3ccsc3c2)C1 ZINC001028737557 636685373 /nfs/dbraw/zinc/68/53/73/636685373.db2.gz ZKUZXUNRYOJXOT-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC001028836974 636775178 /nfs/dbraw/zinc/77/51/78/636775178.db2.gz FJRPOXVIUMGILF-LLVKDONJSA-N 0 3 314.307 2.292 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001028848571 636787354 /nfs/dbraw/zinc/78/73/54/636787354.db2.gz LVGLAWNATLPSPE-GFCCVEGCSA-N 0 3 315.398 2.088 20 30 DEEDHN C#CCN(C(=O)NC[C@@H](C)CC(F)(F)F)C1CCN(C)CC1 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C=CCN1CC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000947966532 636885037 /nfs/dbraw/zinc/88/50/37/636885037.db2.gz CHKPHTANWRTCQG-GUYCJALGSA-N 0 3 315.417 2.414 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000947966530 636887952 /nfs/dbraw/zinc/88/79/52/636887952.db2.gz CHKPHTANWRTCQG-CXAGYDPISA-N 0 3 315.417 2.414 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001028995128 636939517 /nfs/dbraw/zinc/93/95/17/636939517.db2.gz HXHCWGICMVFCTL-VHDGCEQUSA-N 0 3 318.367 2.140 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001029011415 636952109 /nfs/dbraw/zinc/95/21/09/636952109.db2.gz JKUOAZWCWLMSSU-AWEZNQCLSA-N 0 3 311.385 2.211 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001029017985 636958175 /nfs/dbraw/zinc/95/81/75/636958175.db2.gz XMQYICRZXVXIRZ-OOHWJJMZSA-N 0 3 314.404 2.391 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000947972220 637029959 /nfs/dbraw/zinc/02/99/59/637029959.db2.gz ZGMJIWGRKRKTAR-NVXWUHKLSA-N 0 3 313.445 2.359 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000947972222 637030334 /nfs/dbraw/zinc/03/03/34/637030334.db2.gz ZGMJIWGRKRKTAR-RDJZCZTQSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCCCNCc1c(I)cnn1C ZINC000894597938 637127544 /nfs/dbraw/zinc/12/75/44/637127544.db2.gz RRYPULPSTCHUHE-UHFFFAOYSA-N 0 3 305.163 2.081 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cccc3nccnc32)CC1 ZINC001006184860 637269633 /nfs/dbraw/zinc/26/96/33/637269633.db2.gz ULJGAJZOHKORDF-UHFFFAOYSA-N 0 3 310.401 2.352 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000338333328 637513933 /nfs/dbraw/zinc/51/39/33/637513933.db2.gz VYSIAGYANDFEMT-YJBOKZPZSA-N 0 3 315.417 2.024 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC(F)(F)F ZINC000838788001 637660318 /nfs/dbraw/zinc/66/03/18/637660318.db2.gz QMTWJNRCCGIMEJ-WDEREUQCSA-N 0 3 322.327 2.215 20 30 DEEDHN Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895161880 637695288 /nfs/dbraw/zinc/69/52/88/637695288.db2.gz VCVPZFMQZAWNDW-QLFBSQMISA-N 0 3 303.406 2.386 20 30 DEEDHN C#C[C@@H]1CCCN(Cc2ccccc2O[C@@H](C)C(=O)OC)C1 ZINC000895203462 637790099 /nfs/dbraw/zinc/79/00/99/637790099.db2.gz QLAFJCYQMIUNQJ-LSDHHAIUSA-N 0 3 301.386 2.472 20 30 DEEDHN CCC(CC)NN=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741809495 638016459 /nfs/dbraw/zinc/01/64/59/638016459.db2.gz KIRVSUHDYQZVBW-UHFFFAOYSA-N 0 3 315.421 2.283 20 30 DEEDHN CC(C)OCC(=N)NOCc1nnc(-c2cccc(C#N)c2)o1 ZINC000742357577 638061783 /nfs/dbraw/zinc/06/17/83/638061783.db2.gz XLTNRHZTOPBJQE-UHFFFAOYSA-N 0 3 315.333 2.032 20 30 DEEDHN C#CCC1(O)CCN(Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000895669788 638142681 /nfs/dbraw/zinc/14/26/81/638142681.db2.gz GRYIIOFCSQZGCM-UHFFFAOYSA-N 0 3 318.417 2.158 20 30 DEEDHN C#C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccc(F)cc1 ZINC000895682565 638149552 /nfs/dbraw/zinc/14/95/52/638149552.db2.gz KMPYUZHXWANZSB-HOTGVXAUSA-N 0 3 303.381 2.236 20 30 DEEDHN Cc1ccc2c(CCC(=O)C(C#N)C(=O)NC3CC3)c[nH]c2c1 ZINC000745947974 638299402 /nfs/dbraw/zinc/29/94/02/638299402.db2.gz QPAYWBVVROJQOR-OAHLLOKOSA-N 0 3 309.369 2.396 20 30 DEEDHN CC(C)CN(CCc1ccc(F)cc1)CC(=O)NCCC#N ZINC000746159808 638317357 /nfs/dbraw/zinc/31/73/57/638317357.db2.gz MIVPHZYIPRBOKJ-UHFFFAOYSA-N 0 3 305.397 2.356 20 30 DEEDHN N#Cc1cc2ccccc2nc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000750030718 638704784 /nfs/dbraw/zinc/70/47/84/638704784.db2.gz XCZZTYSQYPZCFE-OAHLLOKOSA-N 0 3 322.412 2.265 20 30 DEEDHN C#Cc1cccc(N(CC)C(=S)NC2CCN(C)CC2)c1 ZINC000728447731 639188844 /nfs/dbraw/zinc/18/88/44/639188844.db2.gz PGAHPFIJCBNOKK-UHFFFAOYSA-N 0 3 301.459 2.463 20 30 DEEDHN Cc1ncc(CN(C)C2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC000985332374 639285434 /nfs/dbraw/zinc/28/54/34/639285434.db2.gz NQCVUVSMROLHDU-LLVKDONJSA-N 0 3 306.435 2.034 20 30 DEEDHN CCc1onc(C)c1CN(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000985331182 639287417 /nfs/dbraw/zinc/28/74/17/639287417.db2.gz DAYDMTMXFZCJDH-LBPRGKRZSA-N 0 3 318.421 2.128 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(N(C)Cc2cccc(Cl)n2)CC1 ZINC000985338530 639291831 /nfs/dbraw/zinc/29/18/31/639291831.db2.gz JNZGYDIBYOBSPB-LBPRGKRZSA-N 0 3 320.824 2.317 20 30 DEEDHN CSCC(=O)N1CC[C@@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029637534 639372511 /nfs/dbraw/zinc/37/25/11/639372511.db2.gz FDUTZRRCRTUISH-LBPRGKRZSA-N 0 3 323.487 2.263 20 30 DEEDHN Cc1nsc(C)c1CN(C)C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001029677422 639413980 /nfs/dbraw/zinc/41/39/80/639413980.db2.gz LWWLONQULAAZCR-BXUZGUMPSA-N 0 3 320.462 2.200 20 30 DEEDHN CN(CC(=O)NCCC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000755274849 639536474 /nfs/dbraw/zinc/53/64/74/639536474.db2.gz CTPFMSMGDKENTL-CVEARBPZSA-N 0 3 319.380 2.007 20 30 DEEDHN CNC(=O)c1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000841492374 650506276 /nfs/dbraw/zinc/50/62/76/650506276.db2.gz IVVJQMXEGFLCIB-SFHVURJKSA-N 0 3 323.396 2.083 20 30 DEEDHN CC(C)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000985992008 639717203 /nfs/dbraw/zinc/71/72/03/639717203.db2.gz 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C#C[C@H](C)NCc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000809683327 646262988 /nfs/dbraw/zinc/26/29/88/646262988.db2.gz ZAHQFMFHDFXOPU-UONOGXRCSA-N 0 3 318.417 2.052 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1ccc(C)s1 ZINC000810526306 646371085 /nfs/dbraw/zinc/37/10/85/646371085.db2.gz BNYBHTUNEFAUCE-CQSZACIVSA-N 0 3 322.430 2.241 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000156597479 646432334 /nfs/dbraw/zinc/43/23/34/646432334.db2.gz SWJSANKYUUSBLV-KGLIPLIRSA-N 0 3 320.414 2.162 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C[C@@H]1C ZINC000947739730 646512852 /nfs/dbraw/zinc/51/28/52/646512852.db2.gz BXEDJXBCANRLFA-DZGCQCFKSA-N 0 3 318.392 2.440 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C[C@H]1C ZINC000947739856 646513376 /nfs/dbraw/zinc/51/33/76/646513376.db2.gz DPWKMGKVSPFZPH-DNVCBOLYSA-N 0 3 310.441 2.394 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)c3ccn4ccccc34)CCC[C@@H]12 ZINC000991781618 646622849 /nfs/dbraw/zinc/62/28/49/646622849.db2.gz 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C#CCCN1CC[C@@]2(NC(=O)c3ocnc3C(F)F)CCC[C@@H]12 ZINC000992195059 646897307 /nfs/dbraw/zinc/89/73/07/646897307.db2.gz ZFGZNRKDIFCSKB-BZNIZROVSA-N 0 3 323.343 2.362 20 30 DEEDHN C#CCNc1nc(NCC[C@@H](C)F)nc(NCC[C@H](C)F)n1 ZINC000814912904 646945776 /nfs/dbraw/zinc/94/57/76/646945776.db2.gz GJADOSRSMDIKEB-PHIMTYICSA-N 0 3 312.368 2.237 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cnn4ccccc34)CCC[C@H]12 ZINC000992325953 646948133 /nfs/dbraw/zinc/94/81/33/646948133.db2.gz FPNYOCMPTBQCSJ-PKOBYXMFSA-N 0 3 322.412 2.084 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cncc(F)c1 ZINC000151616377 646983482 /nfs/dbraw/zinc/98/34/82/646983482.db2.gz GEAGDWWRWAWKHK-GFCCVEGCSA-N 0 3 313.288 2.190 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc4c(c3)COC4)CCC[C@H]12 ZINC000992441620 647008016 /nfs/dbraw/zinc/00/80/16/647008016.db2.gz UPVABJUSJWTWNH-ICSRJNTNSA-N 0 3 324.424 2.006 20 30 DEEDHN C#CCC1(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CCC1 ZINC000913888310 647083120 /nfs/dbraw/zinc/08/31/20/647083120.db2.gz 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/nfs/dbraw/zinc/48/78/57/647487857.db2.gz IRYBVUJZTITTSH-INIZCTEOSA-N 0 3 302.418 2.224 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(c3ccccn3)CC2)[C@@H]1C ZINC000993321784 647593202 /nfs/dbraw/zinc/59/32/02/647593202.db2.gz BOEUMBOCCSFQDP-HOTGVXAUSA-N 0 3 311.429 2.106 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccncc2C)[C@H]1C ZINC000993332919 647616077 /nfs/dbraw/zinc/61/60/77/647616077.db2.gz SLTATKKAGSPUBR-NVXWUHKLSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@H]1C ZINC000993406003 647652082 /nfs/dbraw/zinc/65/20/82/647652082.db2.gz HPCIUDFNDRCBSR-DGCLKSJQSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc3n(n2)CCCC3)[C@H]1C ZINC000993485146 647684481 /nfs/dbraw/zinc/68/44/81/647684481.db2.gz HTSKTVOQFHCROO-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3n[nH]cc3c2)[C@H]1C ZINC000993484993 647684978 /nfs/dbraw/zinc/68/49/78/647684978.db2.gz ZZGVTWMGOWYUIP-DOMZBBRYSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@@H]1C ZINC000993569317 647702501 /nfs/dbraw/zinc/70/25/01/647702501.db2.gz PQJQOPRFMJHXJD-HOCLYGCPSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nncc3ccccc32)[C@@H]1C ZINC000993596026 647711844 /nfs/dbraw/zinc/71/18/44/647711844.db2.gz ZCIYQLWJQKEGQE-YOEHRIQHSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@@H]1C ZINC000993627262 647718388 /nfs/dbraw/zinc/71/83/88/647718388.db2.gz XOODZVYWHQUJTN-WFASDCNBSA-N 0 3 303.406 2.118 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(F)ccc2OC)[C@@H]1C ZINC000993671861 647722419 /nfs/dbraw/zinc/72/24/19/647722419.db2.gz NQMBNHYJCKSIQJ-XJKSGUPXSA-N 0 3 318.392 2.440 20 30 DEEDHN Cc1ccc(NC(=S)NN=C2CCN(CCO)CC2)cc1C ZINC000819801184 647729693 /nfs/dbraw/zinc/72/96/93/647729693.db2.gz CJDRKGNUYPNVNX-UHFFFAOYSA-N 0 3 320.462 2.034 20 30 DEEDHN CCOC(=O)c1ccc(N=NC2CCN(CCO)CC2)cc1C ZINC000819812983 647730437 /nfs/dbraw/zinc/73/04/37/647730437.db2.gz JHIHHBAFSRUUJI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/80/35/56/647803556.db2.gz KTLXXGBGVHMHFJ-CABCVRRESA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@H]1C ZINC000994188769 647803559 /nfs/dbraw/zinc/80/35/59/647803559.db2.gz KTLXXGBGVHMHFJ-CABCVRRESA-N 0 3 316.449 2.448 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)[C@@H]1C ZINC000994227747 647811564 /nfs/dbraw/zinc/81/15/64/647811564.db2.gz IKUUFSZLYPVGBP-QWHCGFSZSA-N 0 3 324.856 2.409 20 30 DEEDHN S=C(NN=C1CCN(CCc2ccccc2)CC1)NC1CC1 ZINC000915944542 647819522 /nfs/dbraw/zinc/81/95/22/647819522.db2.gz ISEPFGFMWCPEJX-UHFFFAOYSA-N 0 3 316.474 2.307 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Cl)cc1C ZINC000916917423 647939495 /nfs/dbraw/zinc/93/94/95/647939495.db2.gz CZNKKJOLOBCJNP-GFCCVEGCSA-N 0 3 306.749 2.038 20 30 DEEDHN N#CC(C(=O)CSCc1ccc(F)cc1)C(=O)NC1CC1 ZINC000916926934 647940843 /nfs/dbraw/zinc/94/08/43/647940843.db2.gz HJAXUAOHYVWXNU-CYBMUJFWSA-N 0 3 306.362 2.046 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1C ZINC000994399848 647941975 /nfs/dbraw/zinc/94/19/75/647941975.db2.gz KNNHSCSXLWTPFV-NVXWUHKLSA-N 0 3 301.434 2.248 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H]1C ZINC000994485078 647966357 /nfs/dbraw/zinc/96/63/57/647966357.db2.gz AZNCVXNUJQSTCW-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2csc(CC)n2)[C@@H]1C ZINC000994498486 647970975 /nfs/dbraw/zinc/97/09/75/647970975.db2.gz MVVKSVYHWAVCOY-DZGCQCFKSA-N 0 3 319.474 2.240 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccn2)C2CC2)CC1 ZINC000917136790 647974665 /nfs/dbraw/zinc/97/46/65/647974665.db2.gz IHBOOPHXLYDYII-KRWDZBQOSA-N 0 3 314.433 2.482 20 30 DEEDHN Cc1noc(C)c1[C@@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000155070784 648178243 /nfs/dbraw/zinc/17/82/43/648178243.db2.gz HDVQGVCSILFNGK-GWCFXTLKSA-N 0 3 303.362 2.116 20 30 DEEDHN C=C(C)CO[N-]C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000824028460 648514037 /nfs/dbraw/zinc/51/40/37/648514037.db2.gz IUEFNEBIKBOATK-UHFFFAOYSA-N 0 3 306.406 2.184 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1C ZINC000939236515 648606819 /nfs/dbraw/zinc/60/68/19/648606819.db2.gz PPHYDYLEUOUYGY-TZMCWYRMSA-N 0 3 324.856 2.196 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000824657323 648631760 /nfs/dbraw/zinc/63/17/60/648631760.db2.gz CZCRRXJTBOUSFZ-ZDUSSCGKSA-N 0 3 301.390 2.169 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)C#Cc1cccs1 ZINC000825756591 648808799 /nfs/dbraw/zinc/80/87/99/648808799.db2.gz YLVTVUQSUVQDTQ-UHFFFAOYSA-N 0 3 313.426 2.085 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)nn2C)C[C@@H]1C ZINC000947887305 648819902 /nfs/dbraw/zinc/81/99/02/648819902.db2.gz UWHGEBUQCCINLC-LSDHHAIUSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940301162 648841685 /nfs/dbraw/zinc/84/16/85/648841685.db2.gz OAUAVFHEUGNMRD-KRWDZBQOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000940748078 648933818 /nfs/dbraw/zinc/93/38/18/648933818.db2.gz UUGZAIYDNNSSGL-CABCVRRESA-N 0 3 316.449 2.232 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(Cl)cnn2C)C(C)(C)C1 ZINC000940747412 648933911 /nfs/dbraw/zinc/93/39/11/648933911.db2.gz KAZIQQDJVKECTE-GFCCVEGCSA-N 0 3 310.829 2.090 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nnc2CC)C(C)(C)C1 ZINC000940847181 648956404 /nfs/dbraw/zinc/95/64/04/648956404.db2.gz QUPUSGALPOHSQN-INIZCTEOSA-N 0 3 316.449 2.364 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(OC)c2)C(C)(C)C1 ZINC000940857835 648960181 /nfs/dbraw/zinc/96/01/81/648960181.db2.gz FDWHQJDMBQUUOC-AWEZNQCLSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C(C)(C)C1 ZINC000940882819 648961951 /nfs/dbraw/zinc/96/19/51/648961951.db2.gz ZGPCNHFEIYLORJ-BBWFWOEESA-N 0 3 320.477 2.452 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C1 ZINC000940904034 648965805 /nfs/dbraw/zinc/96/58/05/648965805.db2.gz AHZHEKSPHDANJP-ZACQAIPSSA-N 0 3 318.461 2.042 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ncccc2OC)C(C)(C)C1 ZINC000940984996 648982250 /nfs/dbraw/zinc/98/22/50/648982250.db2.gz PVFQNFAASLIQIE-INIZCTEOSA-N 0 3 317.433 2.035 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(OC)c1 ZINC000827210430 648993759 /nfs/dbraw/zinc/99/37/59/648993759.db2.gz NXKMNPNNZUJHHG-HNNXBMFYSA-N 0 3 301.390 2.171 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncnc2C2CC2)C(C)(C)C1 ZINC000941193748 649016064 /nfs/dbraw/zinc/01/60/64/649016064.db2.gz ODQBYDCZEOJOPZ-HNNXBMFYSA-N 0 3 314.433 2.370 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C(C)(C)C(=C)C)CC2)C1 ZINC000941512547 649052872 /nfs/dbraw/zinc/05/28/72/649052872.db2.gz MYTPUQKRZKTKSU-UHFFFAOYSA-N 0 3 319.493 2.383 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCN(C3CN(C[C@H](C)CC)C3)CC2)C1 ZINC000941559693 649059414 /nfs/dbraw/zinc/05/94/14/649059414.db2.gz JSZGCKQSIIXCTQ-OAHLLOKOSA-N 0 3 319.493 2.217 20 30 DEEDHN C#CCCN(CCOC)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000827822940 649090848 /nfs/dbraw/zinc/09/08/48/649090848.db2.gz HYBGKNZMYKWYJQ-UHFFFAOYSA-N 0 3 300.402 2.051 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000942123701 649162123 /nfs/dbraw/zinc/16/21/23/649162123.db2.gz VFVUGHLKUOKVIF-WBMJQRKESA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H](C)C1 ZINC000942175389 649175245 /nfs/dbraw/zinc/17/52/45/649175245.db2.gz HYUFYCSVJXEZKW-HUUCEWRRSA-N 0 3 312.417 2.269 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2OCC=C)[C@H](C)C1 ZINC000942192962 649180477 /nfs/dbraw/zinc/18/04/77/649180477.db2.gz PYWBESZBOZSBBF-NVXWUHKLSA-N 0 3 312.413 2.325 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nncc3ccccc32)[C@H](C)C1 ZINC000942444822 649220704 /nfs/dbraw/zinc/22/07/04/649220704.db2.gz QIJRIVJWQPOWLN-CZUORRHYSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3cnccc3c2)[C@H](C)C1 ZINC000942498151 649226301 /nfs/dbraw/zinc/22/63/01/649226301.db2.gz XELUBGVXUQAQCH-CZUORRHYSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)[C@H](C)C1 ZINC000942546925 649242618 /nfs/dbraw/zinc/24/26/18/649242618.db2.gz COHRKNVQPDKPHV-HIFRSBDPSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H](C)C1 ZINC000942550284 649242953 /nfs/dbraw/zinc/24/29/53/649242953.db2.gz BHQZPKAWGWXJNE-DOMZBBRYSA-N 0 3 313.376 2.380 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@H](C)C1 ZINC000942571516 649249735 /nfs/dbraw/zinc/24/97/35/649249735.db2.gz CURDYQOQGXRSSN-GDBMZVCRSA-N 0 3 301.434 2.431 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H](C)C1 ZINC000942579955 649250480 /nfs/dbraw/zinc/25/04/80/649250480.db2.gz QHJZMGBMZIPBIG-MNOVXSKESA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H](C)C1 ZINC000943178431 649346023 /nfs/dbraw/zinc/34/60/23/649346023.db2.gz TZSRJUPAKYCXDU-PBHICJAKSA-N 0 3 307.397 2.308 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000829774150 649353682 /nfs/dbraw/zinc/35/36/82/649353682.db2.gz MNEWCQWGMUNUEW-INIZCTEOSA-N 0 3 314.429 2.389 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000829793627 649356959 /nfs/dbraw/zinc/35/69/59/649356959.db2.gz JYUHECMEPCPYOR-KRWDZBQOSA-N 0 3 313.445 2.104 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)ccc1F ZINC000829806064 649359603 /nfs/dbraw/zinc/35/96/03/649359603.db2.gz GJEZOSRIUPXBMZ-KGLIPLIRSA-N 0 3 301.365 2.396 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2csc(C3CC3)n2)[C@@H](C)C1 ZINC000943333926 649368413 /nfs/dbraw/zinc/36/84/13/649368413.db2.gz LBCHIRKLVQDLLY-SWLSCSKDSA-N 0 3 317.458 2.023 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccsc2C)[C@H](C)C1 ZINC000943336648 649369145 /nfs/dbraw/zinc/36/91/45/649369145.db2.gz VYFQUXAIMXYGBK-CZUORRHYSA-N 0 3 304.459 2.449 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2OC)[C@@H](C)C1 ZINC000943464059 649378800 /nfs/dbraw/zinc/37/88/00/649378800.db2.gz COHIIGOXROFTIJ-SWLSCSKDSA-N 0 3 303.406 2.025 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncc(Cl)c2)[C@H](C)C1 ZINC000943648066 649408744 /nfs/dbraw/zinc/40/87/44/649408744.db2.gz SKUUGVQXXLYCDM-IUODEOHRSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cc(OC)c2)[C@@H](C)C1 ZINC000943744280 649419009 /nfs/dbraw/zinc/41/90/09/649419009.db2.gz GWKQWPLHZCVDOW-BLLLJJGKSA-N 0 3 320.820 2.422 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3nccnc32)[C@@H](C)C1 ZINC000943762384 649423928 /nfs/dbraw/zinc/42/39/28/649423928.db2.gz XWMBWMGQKDCKOS-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@@H](C)C1 ZINC000943966312 649464900 /nfs/dbraw/zinc/46/49/00/649464900.db2.gz NCDBFGBFVQSFPC-KSSFIOAISA-N 0 3 307.397 2.308 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3ccccn3c2F)[C@H](C)C1 ZINC000943986143 649468143 /nfs/dbraw/zinc/46/81/43/649468143.db2.gz CSJLFUSAZORIEW-OLZOCXBDSA-N 0 3 316.380 2.100 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@H](C)C1 ZINC000944134180 649487300 /nfs/dbraw/zinc/48/73/00/649487300.db2.gz BFEXAJRKWIKJGK-NVXWUHKLSA-N 0 3 309.413 2.321 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1 ZINC000944347903 649514993 /nfs/dbraw/zinc/51/49/93/649514993.db2.gz RYIHEULYAOKCJP-CRAIPNDOSA-N 0 3 313.445 2.216 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CN(C(=O)[C@H](C)C#N)CC1(C)C ZINC000995586984 649554141 /nfs/dbraw/zinc/55/41/41/649554141.db2.gz YJJGVBQRNSUAHN-QMTHXVAHSA-N 0 3 320.462 2.246 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@H](C)C1 ZINC000944829849 649573152 /nfs/dbraw/zinc/57/31/52/649573152.db2.gz GXBQYIPMPIODPF-DYVFJYSZSA-N 0 3 301.434 2.105 20 30 DEEDHN CN(C[C@H](O)c1cccc(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371274 651119321 /nfs/dbraw/zinc/11/93/21/651119321.db2.gz XOZHZDMPUZPCMM-MSOLQXFVSA-N 0 3 314.360 2.396 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844432609 651127933 /nfs/dbraw/zinc/12/79/33/651127933.db2.gz AXZBRBCKLAFPIR-GDBMZVCRSA-N 0 3 322.355 2.419 20 30 DEEDHN C#CCN1CCC(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000844964008 651188482 /nfs/dbraw/zinc/18/84/82/651188482.db2.gz KCSGCAGHLDCBIA-CYBMUJFWSA-N 0 3 317.260 2.422 20 30 DEEDHN C[C@@H](COCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000845441429 651243501 /nfs/dbraw/zinc/24/35/01/651243501.db2.gz ZCQJHCBYHSXXKI-HOCLYGCPSA-N 0 3 314.385 2.138 20 30 DEEDHN COCCN1[C@H](C)CN(Cc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000121569511 651245918 /nfs/dbraw/zinc/24/59/18/651245918.db2.gz LSZXDEQSONDIQW-GASCZTMLSA-N 0 3 317.433 2.108 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000845616230 651261406 /nfs/dbraw/zinc/26/14/06/651261406.db2.gz HWQMGBOZXBVKSF-SWLSCSKDSA-N 0 3 307.394 2.103 20 30 DEEDHN COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000848400172 651456123 /nfs/dbraw/zinc/45/61/23/651456123.db2.gz APAXYSXJEGQLDA-ZDUSSCGKSA-N 0 3 323.780 2.476 20 30 DEEDHN C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000848415808 651457154 /nfs/dbraw/zinc/45/71/54/651457154.db2.gz YLIWBYRDUSRVTJ-GOEBONIOSA-N 0 3 314.433 2.265 20 30 DEEDHN CC(C)N1CC(N=Nc2ncc(Br)cn2)[C@@H](C)C1 ZINC000848420746 651457870 /nfs/dbraw/zinc/45/78/70/651457870.db2.gz JQLVIFHCEGYGGY-VIFPVBQESA-N 0 3 312.215 2.367 20 30 DEEDHN C#C[C@@H]1CCCN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)C1 ZINC000848923876 651563221 /nfs/dbraw/zinc/56/32/21/651563221.db2.gz KJCLXSTULUAFLU-MRXNPFEDSA-N 0 3 317.433 2.297 20 30 DEEDHN C=CCc1cc(CN[C@H](C)Cn2cncn2)cc(OC)c1OC ZINC000850442289 651930206 /nfs/dbraw/zinc/93/02/06/651930206.db2.gz LAJBBRGQNYLHFD-CYBMUJFWSA-N 0 3 316.405 2.202 20 30 DEEDHN CO[C@@H](C(=O)C(C#N)C(=O)Nc1cccc(C)c1)C1CCC1 ZINC000850756576 651981463 /nfs/dbraw/zinc/98/14/63/651981463.db2.gz BKWAJUZEQZKRRY-GOEBONIOSA-N 0 3 300.358 2.458 20 30 DEEDHN CO[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc(C)c2)C1 ZINC000850757568 651982154 /nfs/dbraw/zinc/98/21/54/651982154.db2.gz MJRPKGRQUKYLEK-YUELXQCFSA-N 0 3 300.358 2.458 20 30 DEEDHN Cn1nccc1[C@@H](O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000856795666 651985201 /nfs/dbraw/zinc/98/52/01/651985201.db2.gz JOMOBKTVNXLCIN-SFHVURJKSA-N 0 3 310.401 2.237 20 30 DEEDHN C#CC[C@@H](CCOC)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000858333879 652309688 /nfs/dbraw/zinc/30/96/88/652309688.db2.gz PAVIBKHYUHOARU-ZDUSSCGKSA-N 0 3 320.824 2.448 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000852100843 652338703 /nfs/dbraw/zinc/33/87/03/652338703.db2.gz KFZTZTRTJAXUAF-IBGZPJMESA-N 0 3 309.413 2.444 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000852101048 652338985 /nfs/dbraw/zinc/33/89/85/652338985.db2.gz MZCBSZPMWHRNIK-QGZVFWFLSA-N 0 3 301.390 2.343 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000852102984 652339444 /nfs/dbraw/zinc/33/94/44/652339444.db2.gz VFHYJSIRMHJXAG-SJKOYZFVSA-N 0 3 308.372 2.404 20 30 DEEDHN C#C[C@](C)(CC)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000852104324 652340760 /nfs/dbraw/zinc/34/07/60/652340760.db2.gz HEVURVIDFZDFGD-SJLPKXTDSA-N 0 3 300.402 2.188 20 30 DEEDHN C#CCCN(CCOC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000853621016 652579925 /nfs/dbraw/zinc/57/99/25/652579925.db2.gz NBTKTIYVWNNJDG-UHFFFAOYSA-N 0 3 323.400 2.054 20 30 DEEDHN CS[C@@H](C)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001371722661 1155968153 /nfs/dbraw/zinc/96/81/53/1155968153.db2.gz SKSKSXCTIYOQAN-OLZOCXBDSA-N 0 3 305.447 2.294 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc(NC(C)=O)c1 ZINC001371882811 1156052036 /nfs/dbraw/zinc/05/20/36/1156052036.db2.gz RJRNXQHRKZSWSO-LBPRGKRZSA-N 0 3 323.824 2.496 20 30 DEEDHN CON(C)C(=O)[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000858588313 685564286 /nfs/dbraw/zinc/56/42/86/685564286.db2.gz YFVKYTALTLWNGX-WBMJQRKESA-N 0 3 301.390 2.324 20 30 DEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000858921777 685620391 /nfs/dbraw/zinc/62/03/91/685620391.db2.gz MJOHAORYCOTBIK-UHFFFAOYSA-N 0 3 310.344 2.488 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(=O)OC ZINC000928318996 693760734 /nfs/dbraw/zinc/76/07/34/693760734.db2.gz ZTMTZTUYYDBBPR-HZPDHXFCSA-N 0 3 322.449 2.408 20 30 DEEDHN CN(C)CCn1nccc1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928400290 693771710 /nfs/dbraw/zinc/77/17/10/693771710.db2.gz ANXIHBFLJAGRDH-UHFFFAOYSA-N 0 3 311.389 2.153 20 30 DEEDHN C=CCc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc(OC)c1OC ZINC000928452067 693784030 /nfs/dbraw/zinc/78/40/30/693784030.db2.gz MSKFRVAGHHSEGM-SWLSCSKDSA-N 0 3 318.417 2.255 20 30 DEEDHN N#CC(C(=O)CCC(=O)c1cccs1)C(=O)NC1CCCC1 ZINC000119682726 684085544 /nfs/dbraw/zinc/08/55/44/684085544.db2.gz LSURBHLCTLNJHM-GFCCVEGCSA-N 0 3 318.398 2.479 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000129378755 684178464 /nfs/dbraw/zinc/17/84/64/684178464.db2.gz PNTWCDRACRGOKZ-FRRDWIJNSA-N 0 3 320.414 2.022 20 30 DEEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000129985295 684183923 /nfs/dbraw/zinc/18/39/23/684183923.db2.gz YIVCOIIEZXHLKL-GFCCVEGCSA-N 0 3 304.346 2.159 20 30 DEEDHN Cc1cc(C)cc(OCCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000130980837 684194902 /nfs/dbraw/zinc/19/49/02/684194902.db2.gz LJVWGQHKJZEQTA-HNNXBMFYSA-N 0 3 302.374 2.306 20 30 DEEDHN N#CCOc1cc(F)ccc1NC(=O)NCCN1CCCCC1 ZINC000135263445 684233665 /nfs/dbraw/zinc/23/36/65/684233665.db2.gz JCZNZKGXGXWPSB-UHFFFAOYSA-N 0 3 320.368 2.335 20 30 DEEDHN COc1ccc(C[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000136663756 684240829 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DEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001019797700 688412150 /nfs/dbraw/zinc/41/21/50/688412150.db2.gz AAUDKDPPTBUHAY-ZBFHGGJFSA-N 0 3 300.402 2.013 20 30 DEEDHN Cc1cccc(CO[C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000870134251 688493667 /nfs/dbraw/zinc/49/36/67/688493667.db2.gz LPBWFDHXGHDSHQ-GDBMZVCRSA-N 0 3 314.385 2.231 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCOC3)C1 ZINC001020382551 688511403 /nfs/dbraw/zinc/51/14/03/688511403.db2.gz CAPSHIDTYXPATN-WKILWMFISA-N 0 3 320.820 2.362 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(F)cc3ccoc32)C1 ZINC001028643532 688540836 /nfs/dbraw/zinc/54/08/36/688540836.db2.gz PICSGEDJRFSDFS-LBPRGKRZSA-N 0 3 300.333 2.257 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001029027469 688551079 /nfs/dbraw/zinc/55/10/79/688551079.db2.gz MPXDVLLVWUZIPS-ZDUSSCGKSA-N 0 3 305.447 2.342 20 30 DEEDHN Cc1cc(F)c(C#N)cc1NC(=S)NC1CCN(C)CC1 ZINC000871690762 688844868 /nfs/dbraw/zinc/84/48/68/688844868.db2.gz DOZWOBSOCOTWTI-UHFFFAOYSA-N 0 3 306.410 2.386 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](OC2CCC2)CC1 ZINC000872278433 688972157 /nfs/dbraw/zinc/97/21/57/688972157.db2.gz PYPRTSTWXXQURP-INIZCTEOSA-N 0 3 307.438 2.172 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000872286624 688974927 /nfs/dbraw/zinc/97/49/27/688974927.db2.gz NFHZEXSSBPBQRM-UONOGXRCSA-N 0 3 300.830 2.407 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001031675858 688978215 /nfs/dbraw/zinc/97/82/15/688978215.db2.gz UMEYLOGJDJYHQI-MSOLQXFVSA-N 0 3 310.441 2.498 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001031901183 689016961 /nfs/dbraw/zinc/01/69/61/689016961.db2.gz UGXTWZMDEANJNL-UHFFFAOYSA-N 0 3 309.413 2.470 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001031986683 689035332 /nfs/dbraw/zinc/03/53/32/689035332.db2.gz ASQNNFSYHTZSOE-MSOLQXFVSA-N 0 3 314.429 2.134 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2c(F)cc(OC)cc2F)C1 ZINC001031995599 689036731 /nfs/dbraw/zinc/03/67/31/689036731.db2.gz WPFAGWWPBXAELH-UHFFFAOYSA-N 0 3 310.344 2.211 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001032227721 689087128 /nfs/dbraw/zinc/08/71/28/689087128.db2.gz FRLJUSJBKDQVEC-UHFFFAOYSA-N 0 3 314.404 2.391 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000872878713 689111706 /nfs/dbraw/zinc/11/17/06/689111706.db2.gz LNGNDKSQBRKHST-LSDHHAIUSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001032421204 689146550 /nfs/dbraw/zinc/14/65/50/689146550.db2.gz HQHXZKKENRPKQK-PVAVHDDUSA-N 0 3 316.449 2.079 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CCC ZINC001032425874 689147845 /nfs/dbraw/zinc/14/78/45/689147845.db2.gz OMEGQQXCMRPSPU-GJZGRUSLSA-N 0 3 302.422 2.158 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(CC)CC)c1 ZINC001032617198 689203389 /nfs/dbraw/zinc/20/33/89/689203389.db2.gz PONWLCHBBRPKGF-ROUUACIJSA-N 0 3 311.429 2.398 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032679311 689222127 /nfs/dbraw/zinc/22/21/27/689222127.db2.gz KDHOTWFNNJOSND-QAETUUGQSA-N 0 3 306.450 2.299 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1nc(C)cc1C ZINC001032784258 689260057 /nfs/dbraw/zinc/26/00/57/689260057.db2.gz OXDZNFYZHBQXBO-ULQDDVLXSA-N 0 3 316.449 2.312 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncnc3sccc32)C1 ZINC001033095120 689384472 /nfs/dbraw/zinc/38/44/72/689384472.db2.gz QUTVPALPARCEED-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001033190009 689418163 /nfs/dbraw/zinc/41/81/63/689418163.db2.gz FNEWQCSMOYMDJN-OAHLLOKOSA-N 0 3 304.438 2.035 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001033242649 689436217 /nfs/dbraw/zinc/43/62/17/689436217.db2.gz AWJMTECLJHZIDP-CQSZACIVSA-N 0 3 306.381 2.096 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033258275 689441827 /nfs/dbraw/zinc/44/18/27/689441827.db2.gz SWOTYMIWKNLKHD-ZDUSSCGKSA-N 0 3 303.406 2.142 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccncc2OC(C)C)C1 ZINC001033296567 689452190 /nfs/dbraw/zinc/45/21/90/689452190.db2.gz VTPITMQDXLKAJN-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874821064 689498034 /nfs/dbraw/zinc/49/80/34/689498034.db2.gz IQEYZIZYOIQALI-IAGOWNOFSA-N 0 3 308.385 2.348 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874822575 689499867 /nfs/dbraw/zinc/49/98/67/689499867.db2.gz CAIUYOAZLQYUKL-FHLIZLRMSA-N 0 3 311.429 2.432 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2-n2cccn2)C1 ZINC001033460733 689507481 /nfs/dbraw/zinc/50/74/81/689507481.db2.gz STXQRDVEKNDLIR-INIZCTEOSA-N 0 3 322.412 2.042 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2OCCc3ccsc32)C1 ZINC001033603025 689556783 /nfs/dbraw/zinc/55/67/83/689556783.db2.gz IYPYERYLKOEWKU-HUUCEWRRSA-N 0 3 320.458 2.471 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccnn2C2CCC2)C1 ZINC001033836662 689632491 /nfs/dbraw/zinc/63/24/91/689632491.db2.gz IETZAWSHFBPVFZ-INIZCTEOSA-N 0 3 314.433 2.168 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(Cl)cn2C)C1 ZINC001033894865 689653886 /nfs/dbraw/zinc/65/38/86/689653886.db2.gz AZGMXBYROVQUCH-AWEZNQCLSA-N 0 3 307.825 2.238 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001034211405 689764195 /nfs/dbraw/zinc/76/41/95/689764195.db2.gz MJRLFPACPJXUKK-JKSUJKDBSA-N 0 3 316.449 2.376 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001034221085 689768830 /nfs/dbraw/zinc/76/88/30/689768830.db2.gz JTTVDQSWVOKFDN-GFCCVEGCSA-N 0 3 312.364 2.439 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001034220738 689768882 /nfs/dbraw/zinc/76/88/82/689768882.db2.gz FZKUJSWMPCMCPC-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001034227883 689771771 /nfs/dbraw/zinc/77/17/71/689771771.db2.gz OPXAFXRQLSETIP-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001034316017 689807611 /nfs/dbraw/zinc/80/76/11/689807611.db2.gz MGCDTRPILNVSIJ-CQSZACIVSA-N 0 3 307.463 2.459 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001034363794 689823298 /nfs/dbraw/zinc/82/32/98/689823298.db2.gz NPQWWCUIXZLBRP-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001034363794 689823302 /nfs/dbraw/zinc/82/33/02/689823302.db2.gz NPQWWCUIXZLBRP-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001034423841 689844993 /nfs/dbraw/zinc/84/49/93/689844993.db2.gz MEODOUXESFAKMC-RDJZCZTQSA-N 0 3 318.392 2.286 20 30 DEEDHN CC#CCN1CCCC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001034427478 689846196 /nfs/dbraw/zinc/84/61/96/689846196.db2.gz YIUYRCXLFAJXDH-MRXNPFEDSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001034429342 689847247 /nfs/dbraw/zinc/84/72/47/689847247.db2.gz VGUBNMUEDVHOQD-OAHLLOKOSA-N 0 3 315.417 2.006 20 30 DEEDHN C=CCn1cc(C(=O)N[C@@H]2CCCCN(CC=C(C)C)C2)nn1 ZINC001034430936 689847527 /nfs/dbraw/zinc/84/75/27/689847527.db2.gz CEFSKIWMBUTFDY-OAHLLOKOSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCNC(=O)c1ccccc1NC(=O)[C@@H](N)CCC(C)C ZINC000876556109 689855329 /nfs/dbraw/zinc/85/53/29/689855329.db2.gz KKZXLPKNRQTRLI-AWEZNQCLSA-N 0 3 303.406 2.304 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)C[C@@H]1COc2ccccc2O1 ZINC000876557590 689856142 /nfs/dbraw/zinc/85/61/42/689856142.db2.gz ZWPGMHVKQPBFRI-CHWSQXEVSA-N 0 3 324.808 2.145 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000876566007 689858842 /nfs/dbraw/zinc/85/88/42/689858842.db2.gz UWDJAXWHNMEWCO-QMMMGPOBSA-N 0 3 304.680 2.417 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1F ZINC000876682935 689900952 /nfs/dbraw/zinc/90/09/52/689900952.db2.gz NYXPMOZNXINMBN-JQWIXIFHSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC001034472751 689863090 /nfs/dbraw/zinc/86/30/90/689863090.db2.gz YHSKSCIRXYFOCY-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC001034471675 689863147 /nfs/dbraw/zinc/86/31/47/689863147.db2.gz JZKBUQAKAMUUDR-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000876580999 689864899 /nfs/dbraw/zinc/86/48/99/689864899.db2.gz WNPPDQKWVGSHLU-CQSZACIVSA-N 0 3 321.808 2.305 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001034480364 689865791 /nfs/dbraw/zinc/86/57/91/689865791.db2.gz JDZYDGZXAIFOJZ-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001034481383 689867186 /nfs/dbraw/zinc/86/71/86/689867186.db2.gz TYOZNAPKPMNQRO-KRWDZBQOSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000876586152 689867295 /nfs/dbraw/zinc/86/72/95/689867295.db2.gz FXJFABDNVNDNOT-YPMHNXCESA-N 0 3 324.808 2.323 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncccc2OC)C1 ZINC001034511298 689879568 /nfs/dbraw/zinc/87/95/68/689879568.db2.gz PRPQEINIEBCDNQ-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000876647203 689888275 /nfs/dbraw/zinc/88/82/75/689888275.db2.gz ITGXOVHKIUCCKF-CYBMUJFWSA-N 0 3 310.781 2.201 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000876660061 689893483 /nfs/dbraw/zinc/89/34/83/689893483.db2.gz MPGLVZLVSWZIFY-GJZGRUSLSA-N 0 3 318.808 2.211 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001034545532 689894329 /nfs/dbraw/zinc/89/43/29/689894329.db2.gz VCFUFNITAWPFBA-HOTGVXAUSA-N 0 3 304.438 2.218 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000876688106 689903095 /nfs/dbraw/zinc/90/30/95/689903095.db2.gz URQDUJANJPEDGB-VXGBXAGGSA-N 0 3 310.781 2.263 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000876714872 689912926 /nfs/dbraw/zinc/91/29/26/689912926.db2.gz DPRCKACIMOGYMY-HNNXBMFYSA-N 0 3 318.808 2.018 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cccc2cccnc21 ZINC000876716667 689914109 /nfs/dbraw/zinc/91/41/09/689914109.db2.gz JPTAKXBFLRNRIW-AWEZNQCLSA-N 0 3 303.793 2.363 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1N1CCCC1 ZINC000876732368 689920079 /nfs/dbraw/zinc/92/00/79/689920079.db2.gz UNEDICULAHUSRI-AWEZNQCLSA-N 0 3 307.825 2.373 20 30 DEEDHN C#CC1(O)CCN(Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000931151040 694328310 /nfs/dbraw/zinc/32/83/10/694328310.db2.gz LHSKJQUXRQYYAD-UHFFFAOYSA-N 0 3 301.386 2.212 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000876979105 689988917 /nfs/dbraw/zinc/98/89/17/689988917.db2.gz TXGSSNADBKIRLA-AEJSXWLSSA-N 0 3 314.735 2.025 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000876989098 689991943 /nfs/dbraw/zinc/99/19/43/689991943.db2.gz OKZNZOUYVVJXBS-GOEBONIOSA-N 0 3 321.852 2.189 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC000877230615 690051389 /nfs/dbraw/zinc/05/13/89/690051389.db2.gz BCZXEGQWJPIMOK-DOTOQJQBSA-N 0 3 303.381 2.495 20 30 DEEDHN 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ZINC001389981302 1155489792 /nfs/dbraw/zinc/48/97/92/1155489792.db2.gz OCJFGNSONWFPLT-PHIMTYICSA-N 0 3 319.218 2.272 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)CC2CCC2)cc1C#N ZINC001390334606 1155657967 /nfs/dbraw/zinc/65/79/67/1155657967.db2.gz XVCMMFQBXLWQJD-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](CNC(=O)c1ccn(C)c1)N(C)Cc1cccc(C#N)c1 ZINC001403104663 1162720337 /nfs/dbraw/zinc/72/03/37/1162720337.db2.gz NXHLLJZGYKMKDK-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001390456387 1155729333 /nfs/dbraw/zinc/72/93/33/1155729333.db2.gz OIGNCUQSWGDNIU-WBMJQRKESA-N 0 3 321.396 2.107 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001390456377 1155729461 /nfs/dbraw/zinc/72/94/61/1155729461.db2.gz OIGNCUQSWGDNIU-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001371171826 1155758780 /nfs/dbraw/zinc/75/87/80/1155758780.db2.gz UJQNKRGCBPNYJY-NSHDSACASA-N 0 3 302.403 2.164 20 30 DEEDHN Cc1cc(C)c(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)[nH]1 ZINC001371237664 1155802576 /nfs/dbraw/zinc/80/25/76/1155802576.db2.gz MPGRDLKSXXXXJK-GFCCVEGCSA-N 0 3 316.430 2.473 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](C)N(C)CCOC1CCCCCC1 ZINC001403111384 1162732414 /nfs/dbraw/zinc/73/24/14/1162732414.db2.gz DTCMNUWFENBNTF-GJZGRUSLSA-N 0 3 309.454 2.322 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2cnccc2c1 ZINC001390683533 1155837493 /nfs/dbraw/zinc/83/74/93/1155837493.db2.gz VSBKLWGQZBNILP-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN CS[C@H](C)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001371722660 1155969639 /nfs/dbraw/zinc/96/96/39/1155969639.db2.gz SKSKSXCTIYOQAN-CHWSQXEVSA-N 0 3 305.447 2.294 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001371774606 1156009627 /nfs/dbraw/zinc/00/96/27/1156009627.db2.gz ULPSUMUVGNBAQQ-CYBMUJFWSA-N 0 3 312.845 2.390 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H](F)C(C)C ZINC001371805127 1156023383 /nfs/dbraw/zinc/02/33/83/1156023383.db2.gz HFNPFNURHBCZOY-MNOVXSKESA-N 0 3 309.223 2.374 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001391295597 1156319293 /nfs/dbraw/zinc/31/92/93/1156319293.db2.gz MMAZOPLDHBRADU-STQMWFEESA-N 0 3 316.430 2.108 20 30 DEEDHN CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001391640017 1156631100 /nfs/dbraw/zinc/63/11/00/1156631100.db2.gz SQNHMOVHDPIYBS-CVEARBPZSA-N 0 3 315.417 2.148 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](F)CC)NCc1ccc(C#N)c(F)c1 ZINC001391720187 1156734971 /nfs/dbraw/zinc/73/49/71/1156734971.db2.gz PVLQSKKWAMHOGS-KGLIPLIRSA-N 0 3 309.360 2.430 20 30 DEEDHN CC[C@@H](CNC(=O)Cc1ccco1)NCc1ccc(C#N)s1 ZINC001391738555 1156761137 /nfs/dbraw/zinc/76/11/37/1156761137.db2.gz XWXKPDMISHVYKP-LBPRGKRZSA-N 0 3 317.414 2.440 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cnc(C)o2)CCCC1 ZINC001391768076 1156792212 /nfs/dbraw/zinc/79/22/12/1156792212.db2.gz OMBWKRGGAQAOOW-UHFFFAOYSA-N 0 3 311.813 2.297 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001392087305 1156865695 /nfs/dbraw/zinc/86/56/95/1156865695.db2.gz GOXCODFDABQQDY-HUBLWGQQSA-N 0 3 303.381 2.290 20 30 DEEDHN CO[C@H](CC(C)C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001392503972 1157079193 /nfs/dbraw/zinc/07/91/93/1157079193.db2.gz GBFMIJNRVPVAAM-IUODEOHRSA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1CC2(CC2)C1 ZINC001392516620 1157086836 /nfs/dbraw/zinc/08/68/36/1157086836.db2.gz RNSPQMPUNFNIAL-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccns1 ZINC001392659528 1157305597 /nfs/dbraw/zinc/30/55/97/1157305597.db2.gz UYVUNCOGCQXNCU-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001403387619 1162870323 /nfs/dbraw/zinc/87/03/23/1162870323.db2.gz YNHMODOYTMNMHK-GFCCVEGCSA-N 0 3 312.845 2.164 20 30 DEEDHN Cc1cccnc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001374006622 1157540888 /nfs/dbraw/zinc/54/08/88/1157540888.db2.gz PUHNADOSCMFONZ-CQSZACIVSA-N 0 3 322.412 2.417 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)COc2ccsc2)C1 ZINC001403454467 1162887761 /nfs/dbraw/zinc/88/77/61/1162887761.db2.gz DXUGLCHRVCSNHE-HAQNSBGRSA-N 0 3 314.838 2.364 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(CCc2ccns2)C1 ZINC001393183191 1157743768 /nfs/dbraw/zinc/74/37/68/1157743768.db2.gz DHUIINBMCCHMDR-BBRMVZONSA-N 0 3 320.462 2.064 20 30 DEEDHN CS[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001393541981 1157857182 /nfs/dbraw/zinc/85/71/82/1157857182.db2.gz VQYMNLWIFLODLE-NSHDSACASA-N 0 3 323.487 2.500 20 30 DEEDHN COc1cccc(CN(C)CCN(C)C(=O)[C@@H](C)C#N)c1C ZINC001374473133 1157868634 /nfs/dbraw/zinc/86/86/34/1157868634.db2.gz XEQMBQFCBVOZDK-ZDUSSCGKSA-N 0 3 303.406 2.054 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccn(C)c1 ZINC001393942689 1158088922 /nfs/dbraw/zinc/08/89/22/1158088922.db2.gz YUQQKMCVEFTHDI-NEPJUHHUSA-N 0 3 316.430 2.255 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2ncc[nH]2)CCCCC1 ZINC001394180618 1158351554 /nfs/dbraw/zinc/35/15/54/1158351554.db2.gz NHLVXLMCVYUGJU-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001394371649 1158440368 /nfs/dbraw/zinc/44/03/68/1158440368.db2.gz CDCGBSNBJICBJE-JOCQHMNTSA-N 0 3 324.856 2.394 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)OCC(C)C)C1 ZINC001394849534 1158812467 /nfs/dbraw/zinc/81/24/67/1158812467.db2.gz SOFFXCIMCCWHDC-HSBZDZAISA-N 0 3 302.846 2.379 20 30 DEEDHN COCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC001375730572 1158856459 /nfs/dbraw/zinc/85/64/59/1158856459.db2.gz BEQGTTGTFDPVLN-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001376623919 1159611128 /nfs/dbraw/zinc/61/11/28/1159611128.db2.gz MCNVFOPXXNHVPN-URLAMEQQSA-N 0 3 301.365 2.093 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CC2(C1)CCOCC2 ZINC001377101125 1159899139 /nfs/dbraw/zinc/89/91/39/1159899139.db2.gz OGFALCAJFKCTLI-ZDUSSCGKSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(COC)CCC2)C1 ZINC001397679721 1160396696 /nfs/dbraw/zinc/39/66/96/1160396696.db2.gz OJXVWUCYBDRSIW-JOCQHMNTSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2csc(=O)[nH]2)CCCC1 ZINC001401184535 1161889254 /nfs/dbraw/zinc/88/92/54/1161889254.db2.gz XQMKYILNQIUQJO-UHFFFAOYSA-N 0 3 315.826 2.233 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCO[C@@H]2C)CCCC1 ZINC001401191403 1161890395 /nfs/dbraw/zinc/89/03/95/1161890395.db2.gz XTPKALKMEZXWHH-OLZOCXBDSA-N 0 3 300.830 2.183 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001401615679 1162047345 /nfs/dbraw/zinc/04/73/45/1162047345.db2.gz HGXBUTFUWUOWIY-VXGBXAGGSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CCn1cccc1 ZINC001401648692 1162058672 /nfs/dbraw/zinc/05/86/72/1162058672.db2.gz PKOSQXVFDYYPFI-CYBMUJFWSA-N 0 3 316.430 2.106 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001401852859 1162154186 /nfs/dbraw/zinc/15/41/86/1162154186.db2.gz FCYGQCSMOCAKFX-OCCSQVGLSA-N 0 3 310.829 2.071 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccns1)C1CCCC1 ZINC001402093203 1162244613 /nfs/dbraw/zinc/24/46/13/1162244613.db2.gz MZWXPXXVAXISKM-BXUZGUMPSA-N 0 3 306.435 2.067 20 30 DEEDHN C[C@]1(CNCc2ccccc2C#N)CCN(C(=O)c2ccon2)C1 ZINC001402156650 1162268809 /nfs/dbraw/zinc/26/88/09/1162268809.db2.gz CSUIWHJTZLFVDV-GOSISDBHSA-N 0 3 324.384 2.188 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)cc1F ZINC001404038127 1163391567 /nfs/dbraw/zinc/39/15/67/1163391567.db2.gz KBKIMMKAIRNEJU-ZFWWWQNUSA-N 0 3 303.381 2.232 20 30 DEEDHN Cc1nsc(C)c1CNCC1(NC(=O)[C@@H](C)C#N)CCCC1 ZINC001405355388 1164061794 /nfs/dbraw/zinc/06/17/94/1164061794.db2.gz BTAXXAGDPLPLOW-NSHDSACASA-N 0 3 320.462 2.438 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1c(C)[nH]nc1Cl)C(C)C ZINC001406046317 1164407130 /nfs/dbraw/zinc/40/71/30/1164407130.db2.gz WFVYNDNKPLUGIO-SNVBAGLBSA-N 0 3 319.236 2.468 20 30 DEEDHN CCc1ocnc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001406337127 1164538916 /nfs/dbraw/zinc/53/89/16/1164538916.db2.gz LUGXAFVXPQNUOH-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001406456664 1164616267 /nfs/dbraw/zinc/61/62/67/1164616267.db2.gz USPNTMNKAQBSPL-MNOVXSKESA-N 0 3 311.476 2.213 20 30 DEEDHN CO[C@@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)C1CCC1 ZINC001406511044 1164647573 /nfs/dbraw/zinc/64/75/73/1164647573.db2.gz CSSKSDANUHSGRE-XHDPSFHLSA-N 0 3 321.446 2.029 20 30 DEEDHN COc1cccc(CN(C)C[C@H](C)NC(=O)[C@H](C)C#N)c1C ZINC001406582622 1164692182 /nfs/dbraw/zinc/69/21/82/1164692182.db2.gz DHKBFSLVTIYJIM-OLZOCXBDSA-N 0 3 303.406 2.100 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001406601842 1164720187 /nfs/dbraw/zinc/72/01/87/1164720187.db2.gz CKAPUCSXQFRYPR-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccnn1C ZINC001419068037 1168174910 /nfs/dbraw/zinc/17/49/10/1168174910.db2.gz KVLHJYAJXCSBCD-CHWSQXEVSA-N 0 3 310.829 2.145 20 30 DEEDHN CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001419313225 1168391267 /nfs/dbraw/zinc/39/12/67/1168391267.db2.gz CRSAXUKOWRZNBM-DXTPNHAXSA-N 0 3 320.824 2.423 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(C)ncn1)C1CC1 ZINC001419326954 1168403216 /nfs/dbraw/zinc/40/32/16/1168403216.db2.gz SCTMMXRRZONEJK-HNNXBMFYSA-N 0 3 308.813 2.026 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001419723468 1168821101 /nfs/dbraw/zinc/82/11/01/1168821101.db2.gz UZZZKVZRBNOCEA-WDEREUQCSA-N 0 3 309.797 2.103 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)CCOc1ccccc1Cl ZINC001420366512 1169410504 /nfs/dbraw/zinc/41/05/04/1169410504.db2.gz AJIHPYVVDDCTAI-ZDUSSCGKSA-N 0 3 323.824 2.317 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)c2ccc[nH]2)C2CC2)s1 ZINC001420722631 1171085908 /nfs/dbraw/zinc/08/59/08/1171085908.db2.gz WLEIBMKNXDQQPM-HNNXBMFYSA-N 0 3 314.414 2.246 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@](C)(CNCc2cc(C3CC3)no2)C1 ZINC001421235807 1171622252 /nfs/dbraw/zinc/62/22/52/1171622252.db2.gz ZNEGMUUDPOQFPT-YVEFUNNKSA-N 0 3 316.405 2.040 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001421672669 1171894083 /nfs/dbraw/zinc/89/40/83/1171894083.db2.gz DNTGKJMCTIQVEI-VXGBXAGGSA-N 0 3 306.410 2.108 20 30 DEEDHN Cc1nsc(C)c1CNC1(CNC(=O)[C@H](C)C#N)CCCC1 ZINC001421812382 1172008989 /nfs/dbraw/zinc/00/89/89/1172008989.db2.gz JCHOQRJDJMLMMT-LLVKDONJSA-N 0 3 320.462 2.438 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)CCCF)C(C)C ZINC001422115827 1172314807 /nfs/dbraw/zinc/31/48/07/1172314807.db2.gz BQHPXDNJQBXIEU-LLVKDONJSA-N 0 3 309.223 2.375 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1Cc2cccnc2C1)C(C)C ZINC001422136151 1172333343 /nfs/dbraw/zinc/33/33/43/1172333343.db2.gz FHCKMGUIFGXSSQ-GDBMZVCRSA-N 0 3 321.852 2.279 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1Cc2cccnc2C1)C(C)C ZINC001422136169 1172333374 /nfs/dbraw/zinc/33/33/74/1172333374.db2.gz FHCKMGUIFGXSSQ-HOCLYGCPSA-N 0 3 321.852 2.279 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001423487460 1173370250 /nfs/dbraw/zinc/37/02/50/1173370250.db2.gz VZTZBMBPSXGUEL-CQSZACIVSA-N 0 3 324.856 2.340 20 30 DEEDHN Cc1noc(C)c1CNC[C@H](NC(=O)[C@H](C)C#N)C1CCCC1 ZINC001423518174 1173384709 /nfs/dbraw/zinc/38/47/09/1173384709.db2.gz SKGFDCZCJWNNRX-BZNIZROVSA-N 0 3 318.421 2.216 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](OC)C2CCC2)C1 ZINC001423684835 1173488910 /nfs/dbraw/zinc/48/89/10/1173488910.db2.gz VVWJMTMQZKXAAU-RUXDESIVSA-N 0 3 300.830 2.133 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(C2CCN(Cc3ccccn3)CC2)CC1 ZINC001423692005 1173494450 /nfs/dbraw/zinc/49/44/50/1173494450.db2.gz HXCMJTNRAWFJQO-AWEZNQCLSA-N 0 3 312.417 2.102 20 30 DEEDHN COCCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001424530839 1173821284 /nfs/dbraw/zinc/82/12/84/1173821284.db2.gz POTOFZQMAXYCGO-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001436746818 1179214756 /nfs/dbraw/zinc/21/47/56/1179214756.db2.gz HZYRGYKCDQLUSB-XJKSGUPXSA-N 0 3 315.392 2.456 20 30 DEEDHN C[C@H](CNC(=O)CCC(F)F)NCc1ccc(F)c(C#N)c1 ZINC001437173733 1179518698 /nfs/dbraw/zinc/51/86/98/1179518698.db2.gz MCMDKTIIKKQZCV-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)ccn1 ZINC001437229026 1179612936 /nfs/dbraw/zinc/61/29/36/1179612936.db2.gz ZUXNQGNMSUDHHO-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2cccnn21 ZINC001437410142 1179793460 /nfs/dbraw/zinc/79/34/60/1179793460.db2.gz OKCNYAFKRHCOEE-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN CCc1ccc(CN(C)CCNC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001437454151 1179809355 /nfs/dbraw/zinc/80/93/55/1179809355.db2.gz GZHJJNSYZLLNHE-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2ncccc2c1 ZINC001437659553 1179880903 /nfs/dbraw/zinc/88/09/03/1179880903.db2.gz NJMPXIWCSYDQEV-PBHICJAKSA-N 0 3 322.412 2.475 20 30 DEEDHN N#CCOc1ccc(CN(CCNC(=O)C2CC2)C2CC2)cc1 ZINC001437772784 1179971838 /nfs/dbraw/zinc/97/18/38/1179971838.db2.gz KJFJXFQBWNDPNR-UHFFFAOYSA-N 0 3 313.401 2.080 20 30 DEEDHN C[C@](C[NH2+]Cc1ccc(C#N)s1)([N-]C(=O)C(F)F)C1CC1 ZINC001438409061 1180395435 /nfs/dbraw/zinc/39/54/35/1180395435.db2.gz QKHVOGWHIUPZKJ-CQSZACIVSA-N 0 3 313.373 2.259 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(C2CC2)CC1 ZINC001439219391 1180946104 /nfs/dbraw/zinc/94/61/04/1180946104.db2.gz FGVXZYQIUVSRRB-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)C[C@H](C)NC(=O)[C@@H](C)C#N)c1 ZINC001439308989 1181009649 /nfs/dbraw/zinc/00/96/49/1181009649.db2.gz FIZUXAPYYIJSLP-HOTGVXAUSA-N 0 3 317.433 2.278 20 30 DEEDHN CO[C@H](C)CC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001439769573 1181229025 /nfs/dbraw/zinc/22/90/25/1181229025.db2.gz VLOFNLSUFTXHLX-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001440297627 1181432375 /nfs/dbraw/zinc/43/23/75/1181432375.db2.gz YXALUNSDAATTHY-OTVXOJSOSA-N 0 3 319.836 2.350 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccc(C)nc2)C1 ZINC001440362477 1181465855 /nfs/dbraw/zinc/46/58/55/1181465855.db2.gz OSVVTXCJCXGQCU-SHTZXODSSA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)CCC)[C@H]1CC ZINC001440456896 1181528376 /nfs/dbraw/zinc/52/83/76/1181528376.db2.gz RTWNNBYPJXMIQX-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001440767076 1181681515 /nfs/dbraw/zinc/68/15/15/1181681515.db2.gz XWQOQWLBZOZFAZ-UHFFFAOYSA-N 0 3 308.813 2.138 20 30 DEEDHN Cc1nc(C)c(CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N)o1 ZINC001440869918 1181736825 /nfs/dbraw/zinc/73/68/25/1181736825.db2.gz DWLFPHZBWQQEJS-LLVKDONJSA-N 0 3 306.410 2.025 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001440997431 1181820009 /nfs/dbraw/zinc/82/00/09/1181820009.db2.gz NYYIKNVNLIBLBC-GJZGRUSLSA-N 0 3 324.856 2.385 20 30 DEEDHN CCc1onc(C)c1CNC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001442158007 1182350315 /nfs/dbraw/zinc/35/03/15/1182350315.db2.gz ZVLMWMOMCLXJFJ-NHYWBVRUSA-N 0 3 320.437 2.326 20 30 DEEDHN C[C@H](CCNC(=O)c1ccncc1)NCc1ccccc1C#N ZINC001442219151 1182374716 /nfs/dbraw/zinc/37/47/16/1182374716.db2.gz SAZINXQANFJUJP-CQSZACIVSA-N 0 3 308.385 2.251 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001442269712 1182396777 /nfs/dbraw/zinc/39/67/77/1182396777.db2.gz YUXJHHKXNZFCJP-SNVBAGLBSA-N 0 3 323.780 2.384 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001442332348 1182423747 /nfs/dbraw/zinc/42/37/47/1182423747.db2.gz RDPSJXNJRFUREE-TZMCWYRMSA-N 0 3 307.825 2.033 20 30 DEEDHN CC[C@@H](CNC(=O)COC(C)(C)C)NCc1ccc(C#N)s1 ZINC001443922025 1183202838 /nfs/dbraw/zinc/20/28/38/1183202838.db2.gz FVWXBMXCTWVFCY-LBPRGKRZSA-N 0 3 323.462 2.419 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001444098166 1183284711 /nfs/dbraw/zinc/28/47/11/1183284711.db2.gz CXBYYKWPCDWVEO-OAHLLOKOSA-N 0 3 311.788 2.461 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cnc(C)cn1)C1CC1 ZINC001444095386 1183285212 /nfs/dbraw/zinc/28/52/12/1183285212.db2.gz UAFNFWZYLTZCOA-OAHLLOKOSA-N 0 3 308.813 2.026 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2ncc[nH]2)CCCC[C@@H]1C ZINC001444157177 1183303585 /nfs/dbraw/zinc/30/35/85/1183303585.db2.gz QWJLLKCOQUFTDK-BLLLJJGKSA-N 0 3 324.856 2.359 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)no1 ZINC001444280379 1183327925 /nfs/dbraw/zinc/32/79/25/1183327925.db2.gz CZLJXRNOWXOJOT-LBPRGKRZSA-N 0 3 312.373 2.010 20 30 DEEDHN Cc1ccncc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001444293603 1183335127 /nfs/dbraw/zinc/33/51/27/1183335127.db2.gz QFUMWGRMEQMAOB-CQSZACIVSA-N 0 3 322.412 2.417 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccc(F)cn3)CC2)cc1 ZINC001446153346 1184251229 /nfs/dbraw/zinc/25/12/29/1184251229.db2.gz LMAULADIZDSOHI-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN CC[C@H](F)C(=O)NCC1(NCc2ccc(OCC#N)cc2)CC1 ZINC001446224978 1184274675 /nfs/dbraw/zinc/27/46/75/1184274675.db2.gz RNQQNFAOZYTRSV-HNNXBMFYSA-N 0 3 319.380 2.075 20 30 DEEDHN C[C@@]1(CNCc2ccccc2C#N)CCN(C(=O)C(F)F)C1 ZINC001446558855 1184414101 /nfs/dbraw/zinc/41/41/01/1184414101.db2.gz DSDJTLVZPVFSMV-INIZCTEOSA-N 0 3 307.344 2.152 20 30 DEEDHN C=C(Cl)CN1CCC[C@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001446704586 1184516638 /nfs/dbraw/zinc/51/66/38/1184516638.db2.gz ZCXJHMKONNTXGY-GOEBONIOSA-N 0 3 315.889 2.297 20 30 DEEDHN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C3)on1 ZINC001446963845 1184594142 /nfs/dbraw/zinc/59/41/42/1184594142.db2.gz XCFQVHILYFNCKK-MHEUCROKSA-N 0 3 316.405 2.002 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCN(C)Cc1cc(F)cc(F)c1 ZINC001447327770 1184726398 /nfs/dbraw/zinc/72/63/98/1184726398.db2.gz OMXJPUJAAMKZNN-GFCCVEGCSA-N 0 3 309.360 2.405 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001447819426 1184882352 /nfs/dbraw/zinc/88/23/52/1184882352.db2.gz JHZGFUQOFXNZQT-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001447989802 1185004378 /nfs/dbraw/zinc/00/43/78/1185004378.db2.gz VSRHDIYPWXCSJI-QWHCGFSZSA-N 0 3 305.447 2.246 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)c1cnc2n1CCC2)C(C)(C)C ZINC001449288629 1185625407 /nfs/dbraw/zinc/62/54/07/1185625407.db2.gz FJJVHFIJIPDFKL-ZDUSSCGKSA-N 0 3 324.856 2.316 20 30 DEEDHN Cc1cccnc1CNC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001449303573 1185639851 /nfs/dbraw/zinc/63/98/51/1185639851.db2.gz SFQKCRIJFREIQP-DZGCQCFKSA-N 0 3 302.422 2.170 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)COc2ccccc2)C1 ZINC001449403832 1185703958 /nfs/dbraw/zinc/70/39/58/1185703958.db2.gz SZOMRYUWMTWHFA-UHFFFAOYSA-N 0 3 308.809 2.397 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccn3c2nc(C)cc3C)CC1 ZINC001346799540 1151025008 /nfs/dbraw/zinc/02/50/08/1151025008.db2.gz STMSHLTYYFLAIX-UHFFFAOYSA-N 0 3 312.417 2.331 20 30 DEEDHN N#CC(C(=O)CCCOC1CCOCC1)c1cccc(F)n1 ZINC001347259521 1151052239 /nfs/dbraw/zinc/05/22/39/1151052239.db2.gz GUSJTYPQXVQNEC-CYBMUJFWSA-N 0 3 306.337 2.373 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCC(=O)N(CC)CC)[C@@H]1C ZINC001332217774 1149836107 /nfs/dbraw/zinc/83/61/07/1149836107.db2.gz IOTZXDUKJKZEOH-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089317988 782533255 /nfs/dbraw/zinc/53/32/55/782533255.db2.gz MMVBOHDQKQNNEZ-AWEZNQCLSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001089317988 782533265 /nfs/dbraw/zinc/53/32/65/782533265.db2.gz MMVBOHDQKQNNEZ-AWEZNQCLSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2scnc2C)CC(C)(C)C1 ZINC001089329870 782705762 /nfs/dbraw/zinc/70/57/62/782705762.db2.gz DZTMTQQCOXXHFP-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCC(C)=O)C[C@@H](C)O2 ZINC001111535995 782800033 /nfs/dbraw/zinc/80/00/33/782800033.db2.gz WQBCPGVJHMGTKO-MRXNPFEDSA-N 0 3 322.449 2.014 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2C)CC(C)(C)C1 ZINC001089341723 782862644 /nfs/dbraw/zinc/86/26/44/782862644.db2.gz OYZVNWLOIYWBPP-OAHLLOKOSA-N 0 3 316.449 2.270 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC001099290856 783003613 /nfs/dbraw/zinc/00/36/13/783003613.db2.gz BVLPZBNUALPCHW-APWZRJJASA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC(=O)N(C)C ZINC001099316029 783049282 /nfs/dbraw/zinc/04/92/82/783049282.db2.gz KPLNBSHSGXLYAJ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)CC(C)(C)C1 ZINC001089437609 783107166 /nfs/dbraw/zinc/10/71/66/783107166.db2.gz FADFWYPZUIIKLV-CVEARBPZSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)C[C@@H]1C ZINC000947348615 783115140 /nfs/dbraw/zinc/11/51/40/783115140.db2.gz QCSFMONMXFUFIE-DZGCQCFKSA-N 0 3 324.380 2.009 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3ccsc32)C[C@H]1C ZINC000947380165 783121848 /nfs/dbraw/zinc/12/18/48/783121848.db2.gz YNMITMQEISGXJI-NEPJUHHUSA-N 0 3 316.430 2.460 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C[C@H]1C ZINC000947411530 783130573 /nfs/dbraw/zinc/13/05/73/783130573.db2.gz IITNQVWYAWLXJH-UKRRQHHQSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C[C@@H]1C ZINC000947468905 783144445 /nfs/dbraw/zinc/14/44/45/783144445.db2.gz RRNTXZZPOQEVTG-GJZGRUSLSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C[C@H]1C ZINC000947478349 783148543 /nfs/dbraw/zinc/14/85/43/783148543.db2.gz CRQBISFKNTXNKE-GDBMZVCRSA-N 0 3 316.449 2.244 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)nn2CC)C[C@@H]1C ZINC000947493248 783152505 /nfs/dbraw/zinc/15/25/05/783152505.db2.gz RDUNETKBRRIVEU-LSDHHAIUSA-N 0 3 316.449 2.242 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C[C@H]1C ZINC000947509309 783156039 /nfs/dbraw/zinc/15/60/39/783156039.db2.gz CRIRZRRPDZAZKL-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)C[C@@H]1C ZINC000947509308 783156281 /nfs/dbraw/zinc/15/62/81/783156281.db2.gz CRIRZRRPDZAZKL-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCOCC2)C[C@H]1C ZINC000947527306 783162255 /nfs/dbraw/zinc/16/22/55/783162255.db2.gz IHKKPIMRDUZJJN-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN CO[C@@H]1CN(CCC2=CCCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212240890 783165261 /nfs/dbraw/zinc/16/52/61/783165261.db2.gz FVHPSWUABWWOQB-QZTJIDSGSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2onc3c2CCCC3)C[C@H]1C ZINC000947539957 783166434 /nfs/dbraw/zinc/16/64/34/783166434.db2.gz KLLUAXOGRUVOHH-OLZOCXBDSA-N 0 3 303.406 2.322 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cccnn32)CC(C)(C)C1 ZINC001089511209 783173892 /nfs/dbraw/zinc/17/38/92/783173892.db2.gz OBUCJPGQPFWJSP-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccn3ccnc23)CC(C)(C)C1 ZINC001089517811 783178904 /nfs/dbraw/zinc/17/89/04/783178904.db2.gz UVYCANRZIZAPQQ-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN CC[C@H](C(=O)NCC[C@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001099349997 783180374 /nfs/dbraw/zinc/18/03/74/783180374.db2.gz QEYPSKIAJFIQLB-BLLLJJGKSA-N 0 3 320.412 2.344 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C[C@H]1C ZINC000947588979 783182773 /nfs/dbraw/zinc/18/27/73/783182773.db2.gz JMWVGAGETGMUQD-HUUCEWRRSA-N 0 3 315.417 2.010 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)C[C@@H]1C ZINC000947758243 783225085 /nfs/dbraw/zinc/22/50/85/783225085.db2.gz KPUWXBWCZGUIRI-FUHWJXTLSA-N 0 3 323.440 2.279 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2noc3c2CCCC3)C[C@@H]1C ZINC000947746772 783219618 /nfs/dbraw/zinc/21/96/18/783219618.db2.gz QYOVEQZRYQVKPK-QWHCGFSZSA-N 0 3 303.406 2.322 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O)C1 ZINC001090552375 790349563 /nfs/dbraw/zinc/34/95/63/790349563.db2.gz CWQDXZMVNNDDHB-SJORKVTESA-N 0 3 314.429 2.094 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)c3cccnc3)C2)C1 ZINC001073031909 790405024 /nfs/dbraw/zinc/40/50/24/790405024.db2.gz UUPHBGDBKFATNN-MRXNPFEDSA-N 0 3 311.429 2.133 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CO)c(F)c2)CC1 ZINC001136669898 790418026 /nfs/dbraw/zinc/41/80/26/790418026.db2.gz URCXNPHEJXLPBM-UHFFFAOYSA-N 0 3 306.381 2.088 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2)[C@@H](O)C1 ZINC001090648366 790418177 /nfs/dbraw/zinc/41/81/77/790418177.db2.gz WVFIJQLBQUKQJM-CABCVRRESA-N 0 3 324.371 2.365 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001207950282 776536520 /nfs/dbraw/zinc/53/65/20/776536520.db2.gz JLVPVQRNMOKDOP-FZMZJTMJSA-N 0 3 321.248 2.213 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCO[C@H](CC)C3)C2)C1 ZINC001073108715 790459972 /nfs/dbraw/zinc/45/99/72/790459972.db2.gz HZFGHDJOOCLJIE-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc4c(=O)ccoc4c3)C2)C1 ZINC001073130099 790475430 /nfs/dbraw/zinc/47/54/30/790475430.db2.gz LNETWCIYCNFYNA-UHFFFAOYSA-N 0 3 324.380 2.127 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CC[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001073150211 790490447 /nfs/dbraw/zinc/49/04/47/790490447.db2.gz OMWBTAMNPNEXJC-MRXNPFEDSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCO[C@H]1C1CCN(C(C)=O)CC1 ZINC001075399081 776920710 /nfs/dbraw/zinc/92/07/10/776920710.db2.gz BMDLVVZWGOZEBF-GJZGRUSLSA-N 0 3 300.830 2.135 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn(CC(C)C)c3C)C2)C1 ZINC001073155982 790493724 /nfs/dbraw/zinc/49/37/24/790493724.db2.gz ANQOPAKICUTVPX-UHFFFAOYSA-N 0 3 316.449 2.181 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](O)C1 ZINC001090763770 790498490 /nfs/dbraw/zinc/49/84/90/790498490.db2.gz LRRNZTRQAKBVQE-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001087136029 777028344 /nfs/dbraw/zinc/02/83/44/777028344.db2.gz INVJOGOVPFANTL-UPJWGTAASA-N 0 3 306.435 2.019 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](O)C1 ZINC001090771509 790511289 /nfs/dbraw/zinc/51/12/89/790511289.db2.gz UAYUDAHPYKMYKX-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)NC[C@@H](C(CC)CC)N(C)C)cc1 ZINC001211531131 777248113 /nfs/dbraw/zinc/24/81/13/777248113.db2.gz OPPCDHWSPSIRQO-KRWDZBQOSA-N 0 3 322.474 2.313 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1c1ccccc1 ZINC001211538112 777291600 /nfs/dbraw/zinc/29/16/00/777291600.db2.gz SIWFGWFEVQAUKO-ZWKOTPCHSA-N 0 3 314.429 2.019 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3c(C)noc3C)C(C)(C)[C@H]21 ZINC001087272923 777684581 /nfs/dbraw/zinc/68/45/81/777684581.db2.gz PHBOCXKWDWZNEE-BMFZPTHFSA-N 0 3 315.417 2.143 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cnc(C)s3)C(C)(C)[C@H]21 ZINC001087276775 777694385 /nfs/dbraw/zinc/69/43/85/777694385.db2.gz DFSKIXZDMWJGFJ-YUELXQCFSA-N 0 3 317.458 2.304 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ocnc3C)C(C)(C)[C@H]21 ZINC001087280900 777709191 /nfs/dbraw/zinc/70/91/91/777709191.db2.gz WZRZSGJGOHEDEM-KBMXLJTQSA-N 0 3 315.417 2.225 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccoc3)C(C)(C)[C@@H]21 ZINC001087281483 777712205 /nfs/dbraw/zinc/71/22/05/777712205.db2.gz HNYFUNAISJCWCZ-KBAYOESNSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(C)(C)[C@@H]21 ZINC001087292996 777739301 /nfs/dbraw/zinc/73/93/01/777739301.db2.gz WANTXGIWXOPVTN-BHIYHBOVSA-N 0 3 310.441 2.468 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(F)c[nH]3)C(C)(C)[C@H]21 ZINC001087295776 777741744 /nfs/dbraw/zinc/74/17/44/777741744.db2.gz OFFGQAUAUUNRRG-BMFZPTHFSA-N 0 3 317.408 2.396 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3csc(C)n3)C(C)(C)[C@@H]21 ZINC001087300422 777750567 /nfs/dbraw/zinc/75/05/67/777750567.db2.gz KNYUVLFUNHTOCX-BPLDGKMQSA-N 0 3 317.458 2.304 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)Cc3occc3C)C(C)(C)[C@H]21 ZINC001087303629 777755245 /nfs/dbraw/zinc/75/52/45/777755245.db2.gz PIPYHJFTMAFVBA-JLSDUUJJSA-N 0 3 314.429 2.369 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc(OC)ccc1OC ZINC001143497803 778116539 /nfs/dbraw/zinc/11/65/39/778116539.db2.gz KFSOHKGWPUUNLT-HNNXBMFYSA-N 0 3 318.417 2.013 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C(F)(F)F ZINC001112044718 778154854 /nfs/dbraw/zinc/15/48/54/778154854.db2.gz HXUGULNVLAABSS-CHWSQXEVSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CC2CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090861864 790612982 /nfs/dbraw/zinc/61/29/82/790612982.db2.gz UMESZZFHDANXOL-ZWKOTPCHSA-N 0 3 312.413 2.013 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100373947 778759987 /nfs/dbraw/zinc/75/99/87/778759987.db2.gz PHRALUACPWOHEA-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(-c4ccoc4)n[nH]3)C2)C1 ZINC001073430321 790652450 /nfs/dbraw/zinc/65/24/50/790652450.db2.gz CSWMFWCPRFGKKX-UHFFFAOYSA-N 0 3 312.373 2.004 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCNCc1ccccc1OC(C)C ZINC001126361273 778827357 /nfs/dbraw/zinc/82/73/57/778827357.db2.gz ZITYNGWIPMPAGV-GOSISDBHSA-N 0 3 320.433 2.007 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCOC)CC1 ZINC001105388956 779256924 /nfs/dbraw/zinc/25/69/24/779256924.db2.gz FUNBPIDOLQNVGC-GOSISDBHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001059318136 779322487 /nfs/dbraw/zinc/32/24/87/779322487.db2.gz VSBOBGKDBKRDJH-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)noc2C2CC2)[C@H]1CC ZINC001087661401 779399192 /nfs/dbraw/zinc/39/91/92/779399192.db2.gz IHHYYRVBHQORGS-LSDHHAIUSA-N 0 3 315.417 2.466 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1CC ZINC001087680799 779406841 /nfs/dbraw/zinc/40/68/41/779406841.db2.gz MDBFNROOJXWACT-DLBZAZTESA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)[C@H]1CC ZINC001087698719 779414741 /nfs/dbraw/zinc/41/47/41/779414741.db2.gz JPVRZTXTFWLEBL-ZNMIVQPWSA-N 0 3 318.421 2.030 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC2CC(OCC)C2)[C@H]1CC ZINC001087697222 779414939 /nfs/dbraw/zinc/41/49/39/779414939.db2.gz KWLCGKCODDRDRW-SJJHQCBESA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)[C@H]1CC ZINC001087815348 779463107 /nfs/dbraw/zinc/46/31/07/779463107.db2.gz HQPVLYJWILIZQM-KSZLIROESA-N 0 3 314.429 2.283 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncnc2CC)[C@H]1CC ZINC001087831998 779473210 /nfs/dbraw/zinc/47/32/10/779473210.db2.gz PWXKYGQBWSVRDL-JKSUJKDBSA-N 0 3 302.422 2.198 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@H]1CC ZINC001087837506 779476768 /nfs/dbraw/zinc/47/67/68/779476768.db2.gz NUKQAPOFRCCDIS-UONOGXRCSA-N 0 3 303.406 2.173 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3sc(Cl)nc3C)C[C@@H]2C1 ZINC001087980094 779588069 /nfs/dbraw/zinc/58/80/69/779588069.db2.gz JOZGRQAWWPQWAK-NEPJUHHUSA-N 0 3 323.849 2.132 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3)C[C@@H]2C1 ZINC001087993696 779621596 /nfs/dbraw/zinc/62/15/96/779621596.db2.gz YWHCMYJDWZVQDU-SJORKVTESA-N 0 3 311.429 2.232 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ncccc3CC)C[C@@H]2C1 ZINC001088020964 779638984 /nfs/dbraw/zinc/63/89/84/779638984.db2.gz MPRLGNVQLJZMBG-SJORKVTESA-N 0 3 311.429 2.061 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3CCC)C[C@@H]2C1 ZINC001088076272 779677521 /nfs/dbraw/zinc/67/75/21/779677521.db2.gz VQNCTSKRSJKCNM-CVEARBPZSA-N 0 3 313.445 2.384 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3F)C[C@@H]2C1 ZINC001088085287 779690483 /nfs/dbraw/zinc/69/04/83/779690483.db2.gz DMBJVERFWXUWBC-NEPJUHHUSA-N 0 3 322.330 2.131 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn(C(C)(C)C)n3)[C@@H]2C1 ZINC001075852553 779826610 /nfs/dbraw/zinc/82/66/10/779826610.db2.gz WUVYRDDAEGAESD-GOEBONIOSA-N 0 3 316.449 2.361 20 30 DEEDHN Cc1oncc1CN[C@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088281086 779902330 /nfs/dbraw/zinc/90/23/30/779902330.db2.gz HMCMDUUTHJHNQD-WFASDCNBSA-N 0 3 304.394 2.004 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@@H](NCc2ccccn2)C1 ZINC001088280313 779902422 /nfs/dbraw/zinc/90/24/22/779902422.db2.gz NTIVIOGTILCRPF-GDBMZVCRSA-N 0 3 300.406 2.102 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001088281938 779903750 /nfs/dbraw/zinc/90/37/50/779903750.db2.gz WKVZIUYFRHFMGY-ZDUSSCGKSA-N 0 3 310.829 2.445 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC2(O)CCC2)C1 ZINC001088312106 779936802 /nfs/dbraw/zinc/93/68/02/779936802.db2.gz OEOZYZHJHNQTFE-CQSZACIVSA-N 0 3 314.857 2.405 20 30 DEEDHN COC[C@@H]1COCCC12CCN(Cc1cncc(C#N)c1)CC2 ZINC001144080644 790747777 /nfs/dbraw/zinc/74/77/77/790747777.db2.gz UHDMMNOLKCVXPX-QGZVFWFLSA-N 0 3 315.417 2.218 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001073654315 790770951 /nfs/dbraw/zinc/77/09/51/790770951.db2.gz DWSGTENNYGHWIX-MSOLQXFVSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001059856552 780450260 /nfs/dbraw/zinc/45/02/60/780450260.db2.gz SZYRVVNUWPPIAO-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)COCCC)[C@H](OC)C1 ZINC001211985837 780563406 /nfs/dbraw/zinc/56/34/06/780563406.db2.gz AURAGSFUFKHVAO-HZPDHXFCSA-N 0 3 314.470 2.199 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@@H](O)C1 ZINC001083457659 780642413 /nfs/dbraw/zinc/64/24/13/780642413.db2.gz YRZAZSQPUAAXCM-OAGGEKHMSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)[C@H]1C ZINC001088639446 780671824 /nfs/dbraw/zinc/67/18/24/780671824.db2.gz YBNSSDIGPFUKLF-YPMHNXCESA-N 0 3 315.373 2.302 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nc(Cl)sc2C)[C@H]1C ZINC001088734792 780922810 /nfs/dbraw/zinc/92/28/10/780922810.db2.gz DXMDVBXAHKRHOO-KOLCDFICSA-N 0 3 311.838 2.321 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccccc2CC)C1 ZINC001073746324 790840728 /nfs/dbraw/zinc/84/07/28/790840728.db2.gz VATIQWVDJOIFDO-KRWDZBQOSA-N 0 3 314.429 2.093 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@H]1C ZINC001088825033 781063320 /nfs/dbraw/zinc/06/33/20/781063320.db2.gz LDWVLYJNCOVDPE-ZBFHGGJFSA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)[C@H]1C ZINC001088830324 781074766 /nfs/dbraw/zinc/07/47/66/781074766.db2.gz CTDLGRCGMPHZCK-YGRLFVJLSA-N 0 3 310.319 2.320 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc(F)ccc3F)[C@@H]2C1 ZINC001076189628 781162484 /nfs/dbraw/zinc/16/24/84/781162484.db2.gz RQMKVVGCRVGFHV-BLLLJJGKSA-N 0 3 306.356 2.226 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001076281329 781198116 /nfs/dbraw/zinc/19/81/16/781198116.db2.gz AIFKITXZVMMUJK-SWLSCSKDSA-N 0 3 305.809 2.457 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4cnccc4n3)[C@@H]2C1 ZINC001076288845 781199734 /nfs/dbraw/zinc/19/97/34/781199734.db2.gz POUOIJMSTFVGRU-MAUKXSAKSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4nsnc43)[C@@H]2C1 ZINC001076416267 781255684 /nfs/dbraw/zinc/25/56/84/781255684.db2.gz AWDSPRRQZNFSBW-SMDDNHRTSA-N 0 3 314.414 2.024 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cn(C(C)C)nc3C)[C@@H]2C1 ZINC001076453048 781269722 /nfs/dbraw/zinc/26/97/22/781269722.db2.gz RQJUTVWGLARCLQ-DOTOQJQBSA-N 0 3 316.449 2.495 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3C)[C@@H]2C1 ZINC001076446889 781272256 /nfs/dbraw/zinc/27/22/56/781272256.db2.gz GLOMXSHRTRZLJZ-DOTOQJQBSA-N 0 3 316.449 2.495 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)nc1 ZINC001076475919 781278825 /nfs/dbraw/zinc/27/88/25/781278825.db2.gz MGKPVENGXLVZLV-FUHWJXTLSA-N 0 3 309.413 2.175 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)[C@@H]2C1 ZINC001076492549 781285604 /nfs/dbraw/zinc/28/56/04/781285604.db2.gz TUFZPXJDBYYYEV-KBXCAEBGSA-N 0 3 309.413 2.429 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3)[C@@H]2C1 ZINC001076528274 781297981 /nfs/dbraw/zinc/29/79/81/781297981.db2.gz DPNSQQQKOUJTAU-SOLBZPMBSA-N 0 3 312.413 2.010 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cn3ccc4ccccc43)[C@@H]2C1 ZINC001076587907 781318690 /nfs/dbraw/zinc/31/86/90/781318690.db2.gz WRQNDDZEGWIDRY-FUHWJXTLSA-N 0 3 309.413 2.360 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076952472 781436602 /nfs/dbraw/zinc/43/66/02/781436602.db2.gz XNDLUHOBTMYKHT-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001077036968 781456235 /nfs/dbraw/zinc/45/62/35/781456235.db2.gz RKERKQLRNJIOKI-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2coc(CC)n2)[C@H](OC)C1 ZINC001212150377 781756462 /nfs/dbraw/zinc/75/64/62/781756462.db2.gz VXVADSCQDOKXDL-UMVBOHGHSA-N 0 3 321.421 2.021 20 30 DEEDHN C=CCCOCCCCC(=O)NCCNCc1cncc(C)c1 ZINC001127124637 781782030 /nfs/dbraw/zinc/78/20/30/781782030.db2.gz HWXHQZFNHSAKSZ-UHFFFAOYSA-N 0 3 319.449 2.359 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001073863421 790922200 /nfs/dbraw/zinc/92/22/00/790922200.db2.gz PNPDEWDABKVVEB-ULQDDVLXSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C2CC2)C[C@@H]1C ZINC000947895295 783261440 /nfs/dbraw/zinc/26/14/40/783261440.db2.gz KISRBODKAGVXLR-GXTWGEPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(CC=C)[C@@H](C)C1 ZINC000947903416 783264452 /nfs/dbraw/zinc/26/44/52/783264452.db2.gz ILWDREKIZUJETH-GJZGRUSLSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2C(F)F)C[C@@H]1C ZINC000947917374 783266717 /nfs/dbraw/zinc/26/67/17/783266717.db2.gz WNHYFVCYUCOYJT-WDEREUQCSA-N 0 3 312.364 2.126 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001089605810 783269140 /nfs/dbraw/zinc/26/91/40/783269140.db2.gz PVGMFKWHHOGMTR-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncnc2C2CC2)C[C@H]1C ZINC000947989425 783285336 /nfs/dbraw/zinc/28/53/36/783285336.db2.gz KAVYQZQTYPWTRD-TZMCWYRMSA-N 0 3 300.406 2.123 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C[C@@H]1C ZINC000947988933 783285403 /nfs/dbraw/zinc/28/54/03/783285403.db2.gz GKSOISQMWJFBKY-WMLDXEAASA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncnc2C(C)C)C[C@H]1C ZINC000948048664 783302947 /nfs/dbraw/zinc/30/29/47/783302947.db2.gz SSDPUGDTVCQQLG-ZIAGYGMSSA-N 0 3 302.422 2.369 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn(CC)n1 ZINC001089638230 783310720 /nfs/dbraw/zinc/31/07/20/783310720.db2.gz WHGWAWGWOZXOPP-CQSZACIVSA-N 0 3 319.453 2.095 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C[C@@H]1C ZINC000948108491 783324642 /nfs/dbraw/zinc/32/46/42/783324642.db2.gz GLWDWGNOMAYENM-RYUDHWBXSA-N 0 3 315.373 2.302 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2sc(C)nc2C)C1 ZINC001073880161 790937671 /nfs/dbraw/zinc/93/76/71/790937671.db2.gz AHKFHOYYSICRTC-CQSZACIVSA-N 0 3 323.462 2.157 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2CCCCO2)CC1 ZINC000948291259 783413269 /nfs/dbraw/zinc/41/32/69/783413269.db2.gz WGXSVUWSGLSQEG-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000948381182 783447495 /nfs/dbraw/zinc/44/74/95/783447495.db2.gz HCWUJVHTWVNUFF-SQNIBIBYSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnc3cc(C)ccn32)CC1 ZINC000948404280 783455986 /nfs/dbraw/zinc/45/59/86/783455986.db2.gz GHJHMZZNSISAAW-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001073905117 790950402 /nfs/dbraw/zinc/95/04/02/790950402.db2.gz WAKQZTYQTVFUKX-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(F)CCOCC1 ZINC001085220206 783589043 /nfs/dbraw/zinc/58/90/43/783589043.db2.gz IRYVINDQCDADTB-CHWSQXEVSA-N 0 3 318.820 2.275 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)ncn1C ZINC001085234034 783594247 /nfs/dbraw/zinc/59/42/47/783594247.db2.gz YJSYQHQUBJHLHH-CHWSQXEVSA-N 0 3 310.829 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC)n1 ZINC001085352510 783649413 /nfs/dbraw/zinc/64/94/13/783649413.db2.gz KMNKQRIAZSGBFD-CHWSQXEVSA-N 0 3 310.829 2.286 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001066245401 783657208 /nfs/dbraw/zinc/65/72/08/783657208.db2.gz HOAIOMLKNGJNNK-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cnccc2C)C1 ZINC000966841410 783777499 /nfs/dbraw/zinc/77/74/99/783777499.db2.gz HNMFXNBZQWIWLH-WBVHZDCISA-N 0 3 301.434 2.335 20 30 DEEDHN CS[C@@H](C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154930199 783785406 /nfs/dbraw/zinc/78/54/06/783785406.db2.gz NGPKTYFRSCRWQG-NSHDSACASA-N 0 3 309.410 2.045 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899119 783803260 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C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC000967385573 783974653 /nfs/dbraw/zinc/97/46/53/783974653.db2.gz WEVILJNWJMRVRS-ZBFHGGJFSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC000967401611 783981064 /nfs/dbraw/zinc/98/10/64/783981064.db2.gz FANPBJCAMKBNTG-BBRMVZONSA-N 0 3 317.433 2.366 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1COc2ccccc2C1 ZINC001085710167 783995463 /nfs/dbraw/zinc/99/54/63/783995463.db2.gz BNGUSUCFAMTMKJ-DLBZAZTESA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC001085756986 784046606 /nfs/dbraw/zinc/04/66/06/784046606.db2.gz WHZQQZJXRJATMX-AEFFLSMTSA-N 0 3 314.429 2.409 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C[C@H](CC)OC)cc1 ZINC001085757506 784047822 /nfs/dbraw/zinc/04/78/22/784047822.db2.gz ISXUJTAAJAUWJN-ROUUACIJSA-N 0 3 314.429 2.239 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967967377 784190090 /nfs/dbraw/zinc/19/00/90/784190090.db2.gz 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ZINC000968382472 784345611 /nfs/dbraw/zinc/34/56/11/784345611.db2.gz QIWRIUFNIHYXFW-GDBMZVCRSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2CCC)C1 ZINC001086136533 784430864 /nfs/dbraw/zinc/43/08/64/784430864.db2.gz JWMVCWRNQZUKEU-BETUJISGSA-N 0 3 324.856 2.223 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001086154439 784445752 /nfs/dbraw/zinc/44/57/52/784445752.db2.gz IFUCZLGDSWFAMT-RQJABVFESA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000968543733 784456489 /nfs/dbraw/zinc/45/64/89/784456489.db2.gz FJKUUHLKGMOPKS-WCQYABFASA-N 0 3 324.856 2.266 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968610590 784500424 /nfs/dbraw/zinc/50/04/24/784500424.db2.gz RBSPJYRGBCGLMA-CZUORRHYSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001086230825 784506159 /nfs/dbraw/zinc/50/61/59/784506159.db2.gz DLGHBUORKUVJRR-TXEJJXNPSA-N 0 3 318.808 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C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnc[n-]c1=O ZINC000968907082 784645599 /nfs/dbraw/zinc/64/55/99/784645599.db2.gz NJNWPZJIDHGSTB-CQSZACIVSA-N 0 3 318.421 2.123 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccn3nccc23)C1 ZINC001086417317 784700789 /nfs/dbraw/zinc/70/07/89/784700789.db2.gz KOOLMJLIBQYNNW-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C3CC3)on2)C1 ZINC001086441774 784736198 /nfs/dbraw/zinc/73/61/98/784736198.db2.gz OYBYMLFGVSHJEQ-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC001086456115 784747720 /nfs/dbraw/zinc/74/77/20/784747720.db2.gz REUXBAYYYBKGLA-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(CCO)C[C@H](F)CC)CC1 ZINC001098448483 784813759 /nfs/dbraw/zinc/81/37/59/784813759.db2.gz CFGWDHHNGLFEHG-CQSZACIVSA-N 0 3 314.445 2.232 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001007387497 784904426 /nfs/dbraw/zinc/90/44/26/784904426.db2.gz 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/nfs/dbraw/zinc/17/90/59/785179059.db2.gz SXLDFWIJHHASBE-MRXNPFEDSA-N 0 3 307.397 2.452 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccnc(OCC)c2)C1 ZINC001008476265 785215872 /nfs/dbraw/zinc/21/58/72/785215872.db2.gz VHARCXLQGOBEJM-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001008515753 785228348 /nfs/dbraw/zinc/22/83/48/785228348.db2.gz OOBAWAIXTCUFSX-CQSZACIVSA-N 0 3 319.453 2.194 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCN[C@H](C)c1nnc(C)[nH]1 ZINC001169706587 785317217 /nfs/dbraw/zinc/31/72/17/785317217.db2.gz TVQRHTNFJFTQEP-CHWSQXEVSA-N 0 3 307.442 2.405 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001008871987 785320144 /nfs/dbraw/zinc/32/01/44/785320144.db2.gz WVEGPTBGIDOMKQ-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001009061241 785374697 /nfs/dbraw/zinc/37/46/97/785374697.db2.gz XLGZQASQWIYDPX-AWEZNQCLSA-N 0 3 304.438 2.314 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCCNCc1cc(C2CC2)no1 ZINC001169821930 785379966 /nfs/dbraw/zinc/37/99/66/785379966.db2.gz PEAULRMYFRILGU-STQMWFEESA-N 0 3 318.421 2.476 20 30 DEEDHN COc1nscc1CNCCCC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001169821706 785380221 /nfs/dbraw/zinc/38/02/21/785380221.db2.gz MUFSAPYAJPRLRB-VXGBXAGGSA-N 0 3 324.450 2.076 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC001009390653 785445443 /nfs/dbraw/zinc/44/54/43/785445443.db2.gz YHPSWUUOXAKONP-OAHLLOKOSA-N 0 3 314.433 2.433 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001009491836 785463452 /nfs/dbraw/zinc/46/34/52/785463452.db2.gz CPBISEOQIVTRIW-AWEZNQCLSA-N 0 3 304.438 2.314 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001009488935 785463630 /nfs/dbraw/zinc/46/36/30/785463630.db2.gz PJCGIRQMGWQNNP-IBGZPJMESA-N 0 3 310.441 2.322 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2csc(COC)n2)C1 ZINC001009700612 785507045 /nfs/dbraw/zinc/50/70/45/785507045.db2.gz CDHVGGVMTMUJJC-GFCCVEGCSA-N 0 3 309.435 2.060 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@@H]2C(F)F)cc1 ZINC001129375723 785654671 /nfs/dbraw/zinc/65/46/71/785654671.db2.gz PAEAWEKXWJNRKC-LSDHHAIUSA-N 0 3 321.371 2.445 20 30 DEEDHN CCCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn(C)n1)C2 ZINC001109229493 785765607 /nfs/dbraw/zinc/76/56/07/785765607.db2.gz WSSRYZWMPVAIQF-ILXRZTDVSA-N 0 3 319.453 2.121 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cc(C)on1)C2 ZINC001109711150 785996585 /nfs/dbraw/zinc/99/65/85/785996585.db2.gz XMGOJJOVWDQDPU-PMPSAXMXSA-N 0 3 303.406 2.213 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1)C2 ZINC001109772847 786049530 /nfs/dbraw/zinc/04/95/30/786049530.db2.gz VUMBEBGKWQHVJG-WCVJEAGWSA-N 0 3 302.422 2.132 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001113343764 786536350 /nfs/dbraw/zinc/53/63/50/786536350.db2.gz CEMKSAOPGHGQKJ-QGZVFWFLSA-N 0 3 307.482 2.361 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccnc(OC)c2)CC1 ZINC001113348500 786539882 /nfs/dbraw/zinc/53/98/82/786539882.db2.gz QDWXYDMBLGTMRR-HNNXBMFYSA-N 0 3 317.433 2.132 20 30 DEEDHN COc1cccc(Cl)c1CNCCCNC(=O)C#CC1CC1 ZINC001157682413 786805125 /nfs/dbraw/zinc/80/51/25/786805125.db2.gz FZXBVZLFINQKSR-UHFFFAOYSA-N 0 3 320.820 2.358 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001015156948 786919424 /nfs/dbraw/zinc/91/94/24/786919424.db2.gz VKSXOZYLUHDLNC-AWEZNQCLSA-N 0 3 306.381 2.143 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001095932799 787297820 /nfs/dbraw/zinc/29/78/20/787297820.db2.gz KTKSEHBITVVYLL-NCOADZHNSA-N 0 3 311.429 2.409 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C=C(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130558264 787430508 /nfs/dbraw/zinc/43/05/08/787430508.db2.gz VOHUHIKZLRFOBG-DOTOQJQBSA-N 0 3 316.449 2.237 20 30 DEEDHN CCc1cnccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001130607397 787444304 /nfs/dbraw/zinc/44/43/04/787444304.db2.gz DBWZBLMOWIXZPI-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001096019524 787452694 /nfs/dbraw/zinc/45/26/94/787452694.db2.gz LWTITRMUOUNMLY-RANZSIQMSA-N 0 3 311.429 2.094 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OCC)c1)C2 ZINC001096070973 787489154 /nfs/dbraw/zinc/48/91/54/787489154.db2.gz VPQZHVSOKZIKDI-NJAFHUGGSA-N 0 3 312.413 2.444 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccn3ccccc23)s1 ZINC001131176229 787565242 /nfs/dbraw/zinc/56/52/42/787565242.db2.gz SVZSECVYNKEILC-UHFFFAOYSA-N 0 3 324.409 2.392 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c3ccccc3nn1C)C2 ZINC001096282798 787601972 /nfs/dbraw/zinc/60/19/72/787601972.db2.gz FSAIWEYQUJUPBU-COXVUDFISA-N 0 3 324.428 2.485 20 30 DEEDHN C[C@@H](Nc1nccc(-c2ccccc2)c1C#N)[C@@H]1CNCCO1 ZINC001170558833 787611848 /nfs/dbraw/zinc/61/18/48/787611848.db2.gz RHMDUKNXYDCADN-DYVFJYSZSA-N 0 3 308.385 2.409 20 30 DEEDHN C=CCCN1CC[C@]2(C1)CN(C(=O)CCCC(C)=O)C[C@H](C)O2 ZINC001131623790 787665872 /nfs/dbraw/zinc/66/58/72/787665872.db2.gz BDMMXKGYCRJVIM-WMZOPIPTSA-N 0 3 322.449 2.014 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1OCc3ccccc31)C2 ZINC001096451507 787673542 /nfs/dbraw/zinc/67/35/42/787673542.db2.gz SZNVHMOKNMUFJA-XGXHKWSGSA-N 0 3 324.424 2.393 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C(C)=C\CC)C[C@@H](C)O2 ZINC001131652021 787673520 /nfs/dbraw/zinc/67/35/20/787673520.db2.gz FBWICMWDBIDRHV-DKSWFMATSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC(=C)C)C[C@H](C)O2 ZINC001131665475 787674749 /nfs/dbraw/zinc/67/47/49/787674749.db2.gz GEALKEJROVMZHL-FUHWJXTLSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)(C)CC=C)C[C@H](C)O2 ZINC001131687433 787683458 /nfs/dbraw/zinc/68/34/58/787683458.db2.gz AMDFQURBJZJAOJ-LPHOPBHVSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCCC=C)C[C@H](C)O2 ZINC001131676549 787686765 /nfs/dbraw/zinc/68/67/65/787686765.db2.gz BIQOARBXIQCRIV-WMZOPIPTSA-N 0 3 304.434 2.058 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001086675357 787813926 /nfs/dbraw/zinc/81/39/26/787813926.db2.gz ANIAFSQZSWYDAH-NWDGAFQWSA-N 0 3 306.797 2.127 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cnccc2C)CC[C@@H]1C ZINC001131923204 787815461 /nfs/dbraw/zinc/81/54/61/787815461.db2.gz PETPHTXPFOUTKC-JKSUJKDBSA-N 0 3 317.433 2.175 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001131976694 787849210 /nfs/dbraw/zinc/84/92/10/787849210.db2.gz NUUPWFHGRFORSW-SJORKVTESA-N 0 3 316.449 2.046 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CC2(OC)CCC2)CC[C@H]1C ZINC001132000030 787873655 /nfs/dbraw/zinc/87/36/55/787873655.db2.gz WEMLSCZBKOVNSG-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccncc2C)CC[C@H]1C ZINC001132007282 787887406 /nfs/dbraw/zinc/88/74/06/787887406.db2.gz YKEPHVWJRWIFPA-HZPDHXFCSA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCc2ccnn2C)C1 ZINC001132072939 787916970 /nfs/dbraw/zinc/91/69/70/787916970.db2.gz RSZLEMSFJZKUGK-HZPDHXFCSA-N 0 3 318.465 2.288 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCOCC=C)C2)CCC1 ZINC001132100904 787927555 /nfs/dbraw/zinc/92/75/55/787927555.db2.gz CQMOGELNZDAWPF-IAGOWNOFSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)C(=O)Nc2ccccc2)CC[C@@H]1C ZINC001132160257 787953046 /nfs/dbraw/zinc/95/30/46/787953046.db2.gz JTEMZUSZHBFYJY-GOEBONIOSA-N 0 3 315.417 2.170 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(C#N)c(F)c2)cc1 ZINC001132215850 787975401 /nfs/dbraw/zinc/97/54/01/787975401.db2.gz OODCUYPRVIFATF-UHFFFAOYSA-N 0 3 321.355 2.198 20 30 DEEDHN COc1csc(C(=O)NCCNCc2ccc(C#N)s2)c1 ZINC001132246082 787985173 /nfs/dbraw/zinc/98/51/73/787985173.db2.gz QPQACKBHZDXKMB-UHFFFAOYSA-N 0 3 321.427 2.209 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cccnc2C)CC[C@@H]1C ZINC001132248909 787987065 /nfs/dbraw/zinc/98/70/65/787987065.db2.gz KJOSYDYNPHQJDY-GOEBONIOSA-N 0 3 317.433 2.175 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)c1ccccc1 ZINC001111443718 787999098 /nfs/dbraw/zinc/99/90/98/787999098.db2.gz UNWLBCWXKYNODQ-XDNAFOTISA-N 0 3 314.429 2.060 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132288153 788012121 /nfs/dbraw/zinc/01/21/21/788012121.db2.gz NPJXCQIZCPBLHJ-OLZOCXBDSA-N 0 3 318.408 2.449 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCO)C2)CCCCC1 ZINC001132508172 788110021 /nfs/dbraw/zinc/11/00/21/788110021.db2.gz DQEHIHAYBLUFKN-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc3n[nH]cc3c1)C2 ZINC001097521680 788125377 /nfs/dbraw/zinc/12/53/77/788125377.db2.gz BYSIWMAQEMVBOR-NXHRZFHOSA-N 0 3 324.428 2.403 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001132663047 788159052 /nfs/dbraw/zinc/15/90/52/788159052.db2.gz OTZPUCUWLVPRBX-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001132671399 788161968 /nfs/dbraw/zinc/16/19/68/788161968.db2.gz QMNOTPWLXNGVRV-XJKSGUPXSA-N 0 3 308.397 2.167 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNCc2nnc(C)[nH]2)C1 ZINC001132865882 788213599 /nfs/dbraw/zinc/21/35/99/788213599.db2.gz TXNWGINCNMSERO-UKRRQHHQSA-N 0 3 319.453 2.044 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](CC)OC)C1 ZINC001097808421 788238655 /nfs/dbraw/zinc/23/86/55/788238655.db2.gz BUUCWROGMSBSKG-QXSJWSMHSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3nc[nH]c31)C2 ZINC001097822048 788243932 /nfs/dbraw/zinc/24/39/32/788243932.db2.gz XYJIQSXZBCQDQG-CLWVCHIJSA-N 0 3 314.433 2.127 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(CC)cn1)C2 ZINC001097886702 788262064 /nfs/dbraw/zinc/26/20/64/788262064.db2.gz NRWFGIBJYUBXHN-KURKYZTESA-N 0 3 313.445 2.484 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)c(F)c(F)c1)C2 ZINC001097907715 788268507 /nfs/dbraw/zinc/26/85/07/788268507.db2.gz JWEWYTMPLSSAJR-DFBGVHRSSA-N 0 3 322.330 2.462 20 30 DEEDHN Cc1cc(CNCCCC[C@@H](C)NC(=O)C#CC2CC2)on1 ZINC001170665141 788310677 /nfs/dbraw/zinc/31/06/77/788310677.db2.gz KWPSGKBBCFTFGQ-CYBMUJFWSA-N 0 3 303.406 2.161 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@H](CNCC#N)C1 ZINC001133185295 788311085 /nfs/dbraw/zinc/31/10/85/788311085.db2.gz AXILFSHNNUNQRC-DLBZAZTESA-N 0 3 322.497 2.096 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)nc1)C2 ZINC001097984293 788311220 /nfs/dbraw/zinc/31/12/20/788311220.db2.gz CLZIORYOMVLZLN-OAGGEKHMSA-N 0 3 312.417 2.265 20 30 DEEDHN C=CCC1(C(=O)NCCNC[C@H](O)c2ccccc2F)CCC1 ZINC001133398603 788397246 /nfs/dbraw/zinc/39/72/46/788397246.db2.gz FGLZPRZLRWFWEB-INIZCTEOSA-N 0 3 320.408 2.311 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)c(C)c1)C2 ZINC001098040164 788400479 /nfs/dbraw/zinc/40/04/79/788400479.db2.gz IWXQJROUXHMIJS-ZACQAIPSSA-N 0 3 312.413 2.362 20 30 DEEDHN CC(C)C1(C(=O)NCCNCc2ccc(F)c(C#N)c2)CC1 ZINC001133556802 788486578 /nfs/dbraw/zinc/48/65/78/788486578.db2.gz KWZADIXMLJRKAC-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNCc2ccc(OC)c(C#N)c2)C1 ZINC001133570379 788494318 /nfs/dbraw/zinc/49/43/18/788494318.db2.gz YVQXDNKOEBHQSD-UHFFFAOYSA-N 0 3 313.401 2.129 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001133656507 788540114 /nfs/dbraw/zinc/54/01/14/788540114.db2.gz BAJXDFZUKUEWML-GHMZBOCLSA-N 0 3 314.227 2.410 20 30 DEEDHN CC[C@H](CC(=O)NCCNCC#CCOC)c1ccc(C)cc1 ZINC001133757606 788595215 /nfs/dbraw/zinc/59/52/15/788595215.db2.gz RONVTHNVBZBAFZ-QGZVFWFLSA-N 0 3 316.445 2.234 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001133908946 788667833 /nfs/dbraw/zinc/66/78/33/788667833.db2.gz FCTVJLPEXYXKQH-NEPJUHHUSA-N 0 3 311.451 2.027 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133909474 788668030 /nfs/dbraw/zinc/66/80/30/788668030.db2.gz MLFIRVLFHLQLFM-CABCVRRESA-N 0 3 315.417 2.134 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(Cl)n1C ZINC001134201616 788810596 /nfs/dbraw/zinc/81/05/96/788810596.db2.gz RGLJMOORGLNEFR-CHWSQXEVSA-N 0 3 324.856 2.250 20 30 DEEDHN C[C@H](C[C@H](C)NCc1nccn1C(F)F)NC(=O)C#CC1CC1 ZINC001134326713 788873225 /nfs/dbraw/zinc/87/32/25/788873225.db2.gz VAYJPHCEBOSUEY-NWDGAFQWSA-N 0 3 324.375 2.065 20 30 DEEDHN CCn1ccnc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328433 788874289 /nfs/dbraw/zinc/87/42/89/788874289.db2.gz CMRKDJDRQMFHJT-GJZGRUSLSA-N 0 3 318.465 2.325 20 30 DEEDHN CCn1ccc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)n1 ZINC001134330333 788876392 /nfs/dbraw/zinc/87/63/92/788876392.db2.gz YLXYLELMECHBDL-CABCVRRESA-N 0 3 318.465 2.325 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nccn1C ZINC001135185091 789237346 /nfs/dbraw/zinc/23/73/46/789237346.db2.gz TYFYBWRMJAANFH-ZIAGYGMSSA-N 0 3 306.454 2.395 20 30 DEEDHN C=CC1(CC(=O)NCCNCc2cnn(C)c2)CCCCC1 ZINC001135186688 789238145 /nfs/dbraw/zinc/23/81/45/789238145.db2.gz IWUFLSOSGHJMKN-UHFFFAOYSA-N 0 3 304.438 2.153 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc3c(c2)COC3)c1 ZINC001135213042 789251713 /nfs/dbraw/zinc/25/17/13/789251713.db2.gz 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311.429 2.116 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3ccsc3C)C[C@]2(C)C1 ZINC001092074443 791929168 /nfs/dbraw/zinc/92/91/68/791929168.db2.gz ZIRMXFDINRHWSO-WBVHZDCISA-N 0 3 302.443 2.013 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3c[nH]cc3C3CC3)C[C@]2(C)C1 ZINC001092151662 791934765 /nfs/dbraw/zinc/93/47/65/791934765.db2.gz PNTIBIXRAKHHLS-BEFAXECRSA-N 0 3 311.429 2.309 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3scnc3Cl)C[C@]2(C)C1 ZINC001092279981 791962248 /nfs/dbraw/zinc/96/22/48/791962248.db2.gz YHXZGEFOUJZCOC-ABAIWWIYSA-N 0 3 323.849 2.214 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(CF)cc3)C[C@]2(C)C1 ZINC001092309492 791975097 /nfs/dbraw/zinc/97/50/97/791975097.db2.gz MBXJBEWEBPARDD-AEFFLSMTSA-N 0 3 300.377 2.183 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001098918336 791983968 /nfs/dbraw/zinc/98/39/68/791983968.db2.gz HPNOTAAHRPUJNI-UGSOOPFHSA-N 0 3 314.433 2.059 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001098954292 791999835 /nfs/dbraw/zinc/99/98/35/791999835.db2.gz UPFBQVQIAQXILL-DWRORGKVSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccsc2C)C1 ZINC001099063188 792070117 /nfs/dbraw/zinc/07/01/17/792070117.db2.gz SOFYBVOQCUZONI-RDJZCZTQSA-N 0 3 302.443 2.203 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(C3CC3)n2)C1 ZINC001099068432 792073360 /nfs/dbraw/zinc/07/33/60/792073360.db2.gz UVIYLLVQAKDNGE-GUYCJALGSA-N 0 3 301.390 2.322 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nn(C)c3ccccc32)C1 ZINC001099130084 792108000 /nfs/dbraw/zinc/10/80/00/792108000.db2.gz VFSXXWVACRVZSS-LIRRHRJNSA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2OCC)C1 ZINC001099144114 792114602 /nfs/dbraw/zinc/11/46/02/792114602.db2.gz JDJRDPPOJLQERW-KSSFIOAISA-N 0 3 315.417 2.251 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001099156990 792120957 /nfs/dbraw/zinc/12/09/57/792120957.db2.gz ZCKXZDNEHANZNG-FPOVZHCZSA-N 0 3 322.452 2.322 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CC)n(C)n2)C1 ZINC001099187369 792131156 /nfs/dbraw/zinc/13/11/56/792131156.db2.gz YOTDHCUNQPIPRE-KSSFIOAISA-N 0 3 316.449 2.143 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001099189497 792131258 /nfs/dbraw/zinc/13/12/58/792131258.db2.gz WKXSUPSMRNEBQF-HFTRVMKXSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cnoc1 ZINC001099194875 792134850 /nfs/dbraw/zinc/13/48/50/792134850.db2.gz UHPCKLUQFVZWBO-HNNXBMFYSA-N 0 3 305.422 2.400 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnc(CC3CC3)s2)[C@H](C)C1 ZINC001092851121 792151838 /nfs/dbraw/zinc/15/18/38/792151838.db2.gz RIDPBBZWQWBHDJ-TZMCWYRMSA-N 0 3 317.458 2.027 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C(F)(F)F ZINC001099302503 792165926 /nfs/dbraw/zinc/16/59/26/792165926.db2.gz WWJBNXMVAQUAQN-JHJVBQTASA-N 0 3 322.371 2.212 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CN(C[C@H](F)CC)C[C@H]2C)c1 ZINC001092952164 792174077 /nfs/dbraw/zinc/17/40/77/792174077.db2.gz HZUWBKFRKIYYFM-KBRIMQKVSA-N 0 3 317.408 2.109 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CC(C)(F)F)CC2(CCOCC2)C1 ZINC001099592548 792256711 /nfs/dbraw/zinc/25/67/11/792256711.db2.gz DRDLREDBOWQLLW-ZDUSSCGKSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C[C@H]1O ZINC001099727398 792329671 /nfs/dbraw/zinc/32/96/71/792329671.db2.gz ORXOOQZYDHSSHU-IAGOWNOFSA-N 0 3 302.418 2.013 20 30 DEEDHN Cc1cc(CNC2CC(CNC(=O)C#CC(C)(C)C)C2)sn1 ZINC001100317028 792588218 /nfs/dbraw/zinc/58/82/18/792588218.db2.gz AKPYNOWSKQMETD-UHFFFAOYSA-N 0 3 319.474 2.485 20 30 DEEDHN CC1(C(=O)NCC2CC(NCc3cc(C#N)ccc3F)C2)CC1 ZINC001100350097 792604988 /nfs/dbraw/zinc/60/49/88/792604988.db2.gz QXGCFKNMKOQJDQ-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN C#CCC1(C(=O)NCC2CC(NCC(=C)Cl)C2)CCOCC1 ZINC001100394805 792627436 /nfs/dbraw/zinc/62/74/36/792627436.db2.gz UXXCCTKLWXHRPN-UHFFFAOYSA-N 0 3 324.852 2.043 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100595343 792739678 /nfs/dbraw/zinc/73/96/78/792739678.db2.gz UFKHUTOEQCWLSA-JEYLPNPQSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3cncs3)CCC[C@@H]12 ZINC001094373042 792856265 /nfs/dbraw/zinc/85/62/65/792856265.db2.gz PARVYPFZOKTRCD-GDBMZVCRSA-N 0 3 303.431 2.141 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc(F)c3)CCC[C@@H]12 ZINC001094354060 792862271 /nfs/dbraw/zinc/86/22/71/792862271.db2.gz PEUFEIOXWAKAER-SJLPKXTDSA-N 0 3 300.377 2.433 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001100923917 792920939 /nfs/dbraw/zinc/92/09/39/792920939.db2.gz KBBDPCNEYZDERR-PESDSKBTSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CC3(C(F)(F)F)CC3)C[C@]2(C)C1 ZINC001101267807 793090951 /nfs/dbraw/zinc/09/09/51/793090951.db2.gz TZSWQRMEMCARCD-OCCSQVGLSA-N 0 3 314.351 2.133 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001150047592 793439550 /nfs/dbraw/zinc/43/95/50/793439550.db2.gz NOMGRSASHIRCKY-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](CCCC#N)N1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001172510198 793440749 /nfs/dbraw/zinc/44/07/49/793440749.db2.gz XEMAODQHULIZFD-LSDHHAIUSA-N 0 3 300.406 2.358 20 30 DEEDHN Cn1cccc1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172965049 793545199 /nfs/dbraw/zinc/54/51/99/793545199.db2.gz ALVQTEGMECETBL-ZFWWWQNUSA-N 0 3 318.421 2.406 20 30 DEEDHN C[C@H](N)c1nccn1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967198 793545459 /nfs/dbraw/zinc/54/54/59/793545459.db2.gz UOKKWOSVXLENTA-AVGNSLFASA-N 0 3 319.409 2.367 20 30 DEEDHN C[C@@H](N)c1nccn1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172967199 793545624 /nfs/dbraw/zinc/54/56/24/793545624.db2.gz UOKKWOSVXLENTA-UPJWGTAASA-N 0 3 319.409 2.367 20 30 DEEDHN C[C@@H]1CC[C@H](O)CN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981669 793551262 /nfs/dbraw/zinc/55/12/62/793551262.db2.gz XYZWSXXILINSMA-KBXIAJHMSA-N 0 3 323.437 2.123 20 30 DEEDHN COc1cccc2c1C[C@H](N1CCC3SC(=O)C=C3C1)CO2 ZINC001173155483 793609751 /nfs/dbraw/zinc/60/97/51/793609751.db2.gz UISAZVYRVLMUTL-LRDDRELGSA-N 0 3 317.410 2.273 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)n2cccn2)C1 ZINC001102693312 793713733 /nfs/dbraw/zinc/71/37/33/793713733.db2.gz XEPYIQORHLCNDD-BPLDGKMQSA-N 0 3 324.856 2.271 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2cc(C)[nH]n2)C1 ZINC001102849475 793788866 /nfs/dbraw/zinc/78/88/66/793788866.db2.gz YRHKJIRAWQBFED-BXUZGUMPSA-N 0 3 324.856 2.087 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2cc(C)n[nH]2)C1 ZINC001102849475 793788873 /nfs/dbraw/zinc/78/88/73/793788873.db2.gz YRHKJIRAWQBFED-BXUZGUMPSA-N 0 3 324.856 2.087 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1C ZINC001102917004 793821862 /nfs/dbraw/zinc/82/18/62/793821862.db2.gz IECRXHICWDJXBQ-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)CCCCNCc1nccn1C ZINC001174798391 794078855 /nfs/dbraw/zinc/07/88/55/794078855.db2.gz JSQHAAHRKQNSGI-MRXNPFEDSA-N 0 3 318.465 2.378 20 30 DEEDHN CCCCCCN(C)CC(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C ZINC001103542682 794138410 /nfs/dbraw/zinc/13/84/10/794138410.db2.gz SGNRTQHMFYGQSY-IAGOWNOFSA-N 0 3 322.497 2.096 20 30 DEEDHN CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(CCOCC1CC1)C2 ZINC001111738840 794463927 /nfs/dbraw/zinc/46/39/27/794463927.db2.gz MGLBZEUCVODIKK-HKUYNNGSSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(CC#CC)C2)OCC ZINC001111766845 794473436 /nfs/dbraw/zinc/47/34/36/794473436.db2.gz DSNSKDLSLVQXNM-SCTDSRPQSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112098537 794559303 /nfs/dbraw/zinc/55/93/03/794559303.db2.gz KWUJTFCWBZCSPZ-VXGBXAGGSA-N 0 3 302.340 2.201 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCC)C1 ZINC001112108365 794560910 /nfs/dbraw/zinc/56/09/10/794560910.db2.gz BWVLPSBMAVMSIQ-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN CCCc1sc(C(=O)NCCNCC#CCOC)cc1CC ZINC001150647847 794592901 /nfs/dbraw/zinc/59/29/01/794592901.db2.gz SEGMUOVWBIVGNB-UHFFFAOYSA-N 0 3 322.474 2.232 20 30 DEEDHN C#CC[C@H](CC(=O)N[C@@H]1[C@H]2CN(CC=C)C[C@H]21)c1ccccc1 ZINC001115355906 794743615 /nfs/dbraw/zinc/74/36/15/794743615.db2.gz AFFJYCXPRURJNL-XSYGEPLQSA-N 0 3 308.425 2.416 20 30 DEEDHN Cc1noc(C)c1CNC1(CNC(=O)[C@@H](C)C#N)CCCCC1 ZINC001115451784 794777971 /nfs/dbraw/zinc/77/79/71/794777971.db2.gz GHSKQAPJASINMN-LBPRGKRZSA-N 0 3 318.421 2.360 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)COC)C12CCC2 ZINC001203186708 794887106 /nfs/dbraw/zinc/88/71/06/794887106.db2.gz XGRVUYBAXZWQLP-OLZOCXBDSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2ccccn2)[C@@H]1C ZINC001178435069 794913719 /nfs/dbraw/zinc/91/37/19/794913719.db2.gz VUYOBPZWDQZGRP-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN CC(C)(C(=O)NCCCCCCNCC#N)N1CCCCC1 ZINC001178486797 794936471 /nfs/dbraw/zinc/93/64/71/794936471.db2.gz JQJHBEYSLSWKNX-UHFFFAOYSA-N 0 3 308.470 2.041 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC001116554765 794967063 /nfs/dbraw/zinc/96/70/63/794967063.db2.gz DUNPQKUKCXXTIA-KRWDZBQOSA-N 0 3 300.402 2.356 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1=O ZINC001116771283 794985075 /nfs/dbraw/zinc/98/50/75/794985075.db2.gz FGXOCSGUSJFBGB-BMFZPTHFSA-N 0 3 313.401 2.146 20 30 DEEDHN CC#CCCCC(=O)NCCCCCCNCc1ccn(C)n1 ZINC001179316121 795098614 /nfs/dbraw/zinc/09/86/14/795098614.db2.gz RRVJGJUOHKGLKX-UHFFFAOYSA-N 0 3 318.465 2.380 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCCCC)[C@@H]1C ZINC001179384806 795110643 /nfs/dbraw/zinc/11/06/43/795110643.db2.gz WZSTZAOJAKPDAB-PMPSAXMXSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C(C)C)[C@@H]1C ZINC001179464096 795119590 /nfs/dbraw/zinc/11/95/90/795119590.db2.gz UAFQHPNUJRPFKU-PMPSAXMXSA-N 0 3 323.481 2.177 20 30 DEEDHN C#CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC001118187295 795163658 /nfs/dbraw/zinc/16/36/58/795163658.db2.gz NYEZAOJVJLXKSQ-ROUUACIJSA-N 0 3 311.429 2.487 20 30 DEEDHN COc1nc(Cl)c(CNCCc2ccc(C#N)cc2)n1C ZINC001118484417 795193136 /nfs/dbraw/zinc/19/31/36/795193136.db2.gz HUZOVTDSTPZGIU-UHFFFAOYSA-N 0 3 304.781 2.286 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@H]2CCN([C@H](C)c3ccccc3)C2)C1=O ZINC001119697392 795339886 /nfs/dbraw/zinc/33/98/86/795339886.db2.gz MPQVLTIRSJGGFH-KBMXLJTQSA-N 0 3 313.401 2.318 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CCSCC)CC1 ZINC001150978268 795387100 /nfs/dbraw/zinc/38/71/00/795387100.db2.gz UQPMMOXIHQQADK-UHFFFAOYSA-N 0 3 314.495 2.303 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CCOCC)C2 ZINC001120801400 795533337 /nfs/dbraw/zinc/53/33/37/795533337.db2.gz FTMCNKKIRAMFFY-UHFFFAOYSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cnc(C)s2)C1 ZINC001181890640 795557476 /nfs/dbraw/zinc/55/74/76/795557476.db2.gz NMWDAZSGUXKSIP-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001151122016 795639743 /nfs/dbraw/zinc/63/97/43/795639743.db2.gz VDUWJVNZBRGHMP-STQMWFEESA-N 0 3 316.392 2.061 20 30 DEEDHN Cc1nc(C)c(CN[C@@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001182372185 795661256 /nfs/dbraw/zinc/66/12/56/795661256.db2.gz JXJAEKNDCMIJGW-CQSZACIVSA-N 0 3 305.447 2.110 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC001121881945 795698945 /nfs/dbraw/zinc/69/89/45/795698945.db2.gz UCNMDLKIAMPGAG-SJORKVTESA-N 0 3 320.433 2.307 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001121974215 795711236 /nfs/dbraw/zinc/71/12/36/795711236.db2.gz GAJRANAGJVLMHX-MRXNPFEDSA-N 0 3 305.397 2.158 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001122280530 795742791 /nfs/dbraw/zinc/74/27/91/795742791.db2.gz WTSZTWUSHPSIPR-BAYAOMGESA-N 0 3 312.841 2.347 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCc2c(n(C)[nH]c2=O)C1 ZINC001122344988 795749419 /nfs/dbraw/zinc/74/94/19/795749419.db2.gz NQZREEDYEXTGBA-CQSZACIVSA-N 0 3 322.453 2.088 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001182932820 795786188 /nfs/dbraw/zinc/78/61/88/795786188.db2.gz LFFWBWSXTOPXFH-OAHLLOKOSA-N 0 3 303.406 2.137 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCOc2cccc(C)c2C)C1 ZINC001183052711 795800103 /nfs/dbraw/zinc/80/01/03/795800103.db2.gz UOGNLVYXEOOOGH-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN Cc1ccoc1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001123535255 795928670 /nfs/dbraw/zinc/92/86/70/795928670.db2.gz MTNOBXYOABWRQB-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2ocnc2C)[C@@H](C)C1 ZINC001184312900 796032612 /nfs/dbraw/zinc/03/26/12/796032612.db2.gz VYOWWGZRLJUXLD-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN CCCSCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001124196830 796044318 /nfs/dbraw/zinc/04/43/18/796044318.db2.gz FUPHXTKJNAPJCN-UHFFFAOYSA-N 0 3 309.410 2.046 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2cnns2)[C@@H](C)C1 ZINC001184497801 796066484 /nfs/dbraw/zinc/06/64/84/796066484.db2.gz NCILGNASNNDBHC-UONOGXRCSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2ccn(C)n2)[C@@H](C)C1 ZINC001184498529 796072284 /nfs/dbraw/zinc/07/22/84/796072284.db2.gz SLUHXNPVTPMEFU-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCC(=O)N(CCC)CCC)C1 ZINC001184850015 796130005 /nfs/dbraw/zinc/13/00/05/796130005.db2.gz RUSHJAFDRARMHS-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001185064429 796173534 /nfs/dbraw/zinc/17/35/34/796173534.db2.gz OCMRLTFRNXRVTF-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(F)c3ccncc23)C1 ZINC001185085411 796178256 /nfs/dbraw/zinc/17/82/56/796178256.db2.gz WXAWWMXYCIEIJI-CYBMUJFWSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(COC(=O)N3)CC2)c1[O-] ZINC001138630625 796246893 /nfs/dbraw/zinc/24/68/93/796246893.db2.gz ZCGYARZERPZJPD-UHFFFAOYSA-N 0 3 302.374 2.195 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](NCc2ccccn2)C12CCC2 ZINC001202867700 796284756 /nfs/dbraw/zinc/28/47/56/796284756.db2.gz UCEXMADGRUVVOV-SJORKVTESA-N 0 3 311.429 2.258 20 30 DEEDHN Cc1oncc1CN[C@@H]1C[C@@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202876976 796301139 /nfs/dbraw/zinc/30/11/39/796301139.db2.gz KYJPSYSHWTUXJZ-HZPDHXFCSA-N 0 3 315.417 2.159 20 30 DEEDHN Cc1ncoc1CN[C@@H]1C[C@@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202878078 796303482 /nfs/dbraw/zinc/30/34/82/796303482.db2.gz QWWFFJDRGAKALH-HZPDHXFCSA-N 0 3 315.417 2.159 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@@H](NCc2ccccn2)C12CCC2 ZINC001202887716 796311594 /nfs/dbraw/zinc/31/15/94/796311594.db2.gz LXZOGRMAVNHGOD-IAGOWNOFSA-N 0 3 309.413 2.012 20 30 DEEDHN O=C(NCc1cccc(F)c1)N1CCC2SC(=O)C=C2C1 ZINC001185803577 796318644 /nfs/dbraw/zinc/31/86/44/796318644.db2.gz ZTSFFNSOMPVARN-ZDUSSCGKSA-N 0 3 306.362 2.309 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC001185941095 796334976 /nfs/dbraw/zinc/33/49/76/796334976.db2.gz SBHIWMLCEXAHQZ-LLVKDONJSA-N 0 3 314.307 2.434 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC3(CCCNC3=O)CC2)c1 ZINC001139651221 796407286 /nfs/dbraw/zinc/40/72/86/796407286.db2.gz KYQPJMOIZODDLH-UHFFFAOYSA-N 0 3 301.365 2.190 20 30 DEEDHN C=CCn1cc(CN2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)cn1 ZINC001139771807 796425642 /nfs/dbraw/zinc/42/56/42/796425642.db2.gz PMGCMIPBFSMJJL-RDJZCZTQSA-N 0 3 302.422 2.092 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001186668500 796427980 /nfs/dbraw/zinc/42/79/80/796427980.db2.gz DGMBNEKYWXQTLZ-GOEBONIOSA-N 0 3 320.458 2.026 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C12CCC2 ZINC001203011874 796490772 /nfs/dbraw/zinc/49/07/72/796490772.db2.gz CARUOJTYPLRNHC-KGLIPLIRSA-N 0 3 322.840 2.112 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001187272572 796511775 /nfs/dbraw/zinc/51/17/75/796511775.db2.gz MTWBKSMNCOZTEE-IXDOHACOSA-N 0 3 308.466 2.404 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001187291446 796515247 /nfs/dbraw/zinc/51/52/47/796515247.db2.gz SULUWXOTJMMQOD-SECBINFHSA-N 0 3 314.282 2.070 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001187420618 796534154 /nfs/dbraw/zinc/53/41/54/796534154.db2.gz OZJIVXFKWDYYFF-MEMKZHQFSA-N 0 3 302.805 2.153 20 30 DEEDHN Cc1cnc2n1CCC21CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140543865 796537886 /nfs/dbraw/zinc/53/78/86/796537886.db2.gz VYAQEYKFZODUJM-UHFFFAOYSA-N 0 3 307.401 2.396 20 30 DEEDHN N#Cc1ccc(Cl)c(CN2CCC[C@]3(CCNC3=O)C2)c1 ZINC001140599271 796543270 /nfs/dbraw/zinc/54/32/70/796543270.db2.gz VUIYKWWUIXCEHV-INIZCTEOSA-N 0 3 303.793 2.314 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3c(C)nn(C)c3C)C2)C1=O ZINC001203051084 796543318 /nfs/dbraw/zinc/54/33/18/796543318.db2.gz JRLNVLVNBUBGEY-SFHVURJKSA-N 0 3 316.449 2.037 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccn4ccnc4c3)C2)C1=O ZINC001141048236 796625932 /nfs/dbraw/zinc/62/59/32/796625932.db2.gz IEQKBFYNKCUVFT-LJQANCHMSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001188287608 796655621 /nfs/dbraw/zinc/65/56/21/796655621.db2.gz OVSWOMJRENHSHP-CQSZACIVSA-N 0 3 323.462 2.043 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2sc(C)nc2C)C1 ZINC001188309638 796662388 /nfs/dbraw/zinc/66/23/88/796662388.db2.gz FRWUNAOEMWFYHX-TZMCWYRMSA-N 0 3 323.462 2.042 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC001188847386 796733056 /nfs/dbraw/zinc/73/30/56/796733056.db2.gz UWSAATNUMODIGL-HRCADAONSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001150159907 796924287 /nfs/dbraw/zinc/92/42/87/796924287.db2.gz SBLXOXJVNZFPDT-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC(C)COCCN(C)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190077112 796933860 /nfs/dbraw/zinc/93/38/60/796933860.db2.gz YLZRWPLXBXVXNV-INIZCTEOSA-N 0 3 308.466 2.241 20 30 DEEDHN C=C(C)Cc1ccc(C(=O)N2CCOC[C@H]2CN(C)C)cc1 ZINC001190224430 796958351 /nfs/dbraw/zinc/95/83/51/796958351.db2.gz NPEUUMSYXCBILX-QGZVFWFLSA-N 0 3 302.418 2.208 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)CC=C(C)C)C2)CCOCC1 ZINC001190584078 797034840 /nfs/dbraw/zinc/03/48/40/797034840.db2.gz GQBHJKRUTMZUMO-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001190659142 797042756 /nfs/dbraw/zinc/04/27/56/797042756.db2.gz KKEPVNNAXCGSOI-IAGOWNOFSA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001190870928 797100020 /nfs/dbraw/zinc/10/00/20/797100020.db2.gz XFAJJVDZVYXJGA-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)[C@@H](CC)CCCCC)C1=O ZINC001151885006 797111616 /nfs/dbraw/zinc/11/16/16/797111616.db2.gz ZXFQHULVKZQJEO-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCNC[C@@H](F)CC)cc1 ZINC001152803557 797237225 /nfs/dbraw/zinc/23/72/25/797237225.db2.gz XPXDOPOACGQJAJ-HNNXBMFYSA-N 0 3 308.397 2.248 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC001191910886 797276996 /nfs/dbraw/zinc/27/69/96/797276996.db2.gz ADOLECUAXAPQPO-HNNXBMFYSA-N 0 3 319.449 2.487 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001192180656 797342062 /nfs/dbraw/zinc/34/20/62/797342062.db2.gz KUDRZOONLLXXPZ-QGZVFWFLSA-N 0 3 306.450 2.468 20 30 DEEDHN Cc1ncc(C(=O)N(C)CCN(C)Cc2ccccc2)cc1C#N ZINC001192294397 797356319 /nfs/dbraw/zinc/35/63/19/797356319.db2.gz SKCYLAUIOSFHDM-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001192320886 797361360 /nfs/dbraw/zinc/36/13/60/797361360.db2.gz NKLIGRAAXCIKOD-ISIQUDIPSA-N 0 3 306.450 2.088 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@H]1O ZINC001192503327 797397178 /nfs/dbraw/zinc/39/71/78/797397178.db2.gz ARCDRYPWUZKTSN-CGTJXYLNSA-N 0 3 314.429 2.021 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2ccncc2s1 ZINC001153829116 797406060 /nfs/dbraw/zinc/40/60/60/797406060.db2.gz YLDFDWTUDPZSQG-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nc2cccnc2s1 ZINC001153843829 797408337 /nfs/dbraw/zinc/40/83/37/797408337.db2.gz OXNJVEHNMSDJQR-GFCCVEGCSA-N 0 3 316.430 2.155 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)c(F)c1 ZINC001153900538 797421434 /nfs/dbraw/zinc/42/14/34/797421434.db2.gz QKVJKMXRFVTJCZ-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001192750188 797447973 /nfs/dbraw/zinc/44/79/73/797447973.db2.gz VFFSFZZMJDLAFR-JKSUJKDBSA-N 0 3 320.433 2.427 20 30 DEEDHN CC#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001192868428 797457109 /nfs/dbraw/zinc/45/71/09/797457109.db2.gz WUNYASALLSUFQW-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN CC#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001192868428 797457113 /nfs/dbraw/zinc/45/71/13/797457113.db2.gz WUNYASALLSUFQW-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)Cc1cccs1 ZINC001154194946 797482334 /nfs/dbraw/zinc/48/23/34/797482334.db2.gz LCPSFWGRBNUCQD-UHFFFAOYSA-N 0 3 313.426 2.458 20 30 DEEDHN CC(C)(C)OC(=O)N1CCN2C[C@@H](OCCCC#N)C[C@H]2C1 ZINC001205620741 797494311 /nfs/dbraw/zinc/49/43/11/797494311.db2.gz FUXJFXSUCSOYFI-KBPBESRZSA-N 0 3 309.410 2.000 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001154257004 797498426 /nfs/dbraw/zinc/49/84/26/797498426.db2.gz BDEDZHKBAMOROO-UKRRQHHQSA-N 0 3 318.392 2.152 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc2c(F)cccc2c1 ZINC001154332107 797515440 /nfs/dbraw/zinc/51/54/40/797515440.db2.gz GGGDQLCHYPYTPU-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001154364208 797523244 /nfs/dbraw/zinc/52/32/44/797523244.db2.gz QOBYSUVQEXRISW-CABCVRRESA-N 0 3 314.429 2.474 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(F)ccc1OC ZINC001154546036 797559602 /nfs/dbraw/zinc/55/96/02/797559602.db2.gz NVBREUCIYIMAOX-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ccccc1O ZINC001154758617 797606163 /nfs/dbraw/zinc/60/61/63/797606163.db2.gz CAZSVJPBSSMETR-UHFFFAOYSA-N 0 3 309.369 2.174 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccc(OC)c2)C1 ZINC001193673600 797608468 /nfs/dbraw/zinc/60/84/68/797608468.db2.gz KALIFKSMMSLHHD-MRXNPFEDSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccn(C)n2)cc1 ZINC001193704293 797616363 /nfs/dbraw/zinc/61/63/63/797616363.db2.gz ZPBHIVZTMCHYQB-KRWDZBQOSA-N 0 3 324.428 2.467 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)Cc1cccc(C)c1 ZINC001154980461 797652447 /nfs/dbraw/zinc/65/24/47/797652447.db2.gz DTNHCIMSUJLZOA-QGZVFWFLSA-N 0 3 316.445 2.014 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)cc1C ZINC001154980831 797653082 /nfs/dbraw/zinc/65/30/82/797653082.db2.gz PVGVJVDABGYONF-OAHLLOKOSA-N 0 3 302.418 2.467 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)COc2ccccc2)C1 ZINC001194062102 797671316 /nfs/dbraw/zinc/67/13/16/797671316.db2.gz YZYIOPAZFRHWMP-HOTGVXAUSA-N 0 3 302.418 2.420 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001155101169 797682108 /nfs/dbraw/zinc/68/21/08/797682108.db2.gz NNLORJKHZMRCTP-IRYCFIFBSA-N 0 3 315.830 2.070 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2cc(O)cnc21 ZINC001155110558 797684763 /nfs/dbraw/zinc/68/47/63/797684763.db2.gz UUBSTEYMNLQIRD-AWEZNQCLSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cn(C)nc1C1CCCC1 ZINC001155180544 797702234 /nfs/dbraw/zinc/70/22/34/797702234.db2.gz DOQSJXRDGFLWHG-CQSZACIVSA-N 0 3 316.449 2.151 20 30 DEEDHN CCc1nc(C#N)c(C#N)nc1-n1c2ccccc2nc1[C@H](C)N ZINC001155257341 797718962 /nfs/dbraw/zinc/71/89/62/797718962.db2.gz ZORSEDYZSLKTMT-JTQLQIEISA-N 0 3 317.356 2.141 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001155407163 797750623 /nfs/dbraw/zinc/75/06/23/797750623.db2.gz QKXIVHSGRMVNFN-CYBMUJFWSA-N 0 3 314.389 2.133 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1OCC2 ZINC001155423807 797754236 /nfs/dbraw/zinc/75/42/36/797754236.db2.gz PXBZVVRMVZCBGN-CQSZACIVSA-N 0 3 300.402 2.085 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cnc(C)s1 ZINC001155475121 797766162 /nfs/dbraw/zinc/76/61/62/797766162.db2.gz YCAMKKNLNLUMPI-UHFFFAOYSA-N 0 3 318.240 2.070 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1cc(C)cc(C)c1 ZINC001155579660 797795593 /nfs/dbraw/zinc/79/55/93/797795593.db2.gz JISOMTWRJXEPOX-UHFFFAOYSA-N 0 3 317.433 2.304 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001155713018 797833736 /nfs/dbraw/zinc/83/37/36/797833736.db2.gz YWYIUJLPONDQMV-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)O[C@H](C)CC)CC1 ZINC001195113159 797835342 /nfs/dbraw/zinc/83/53/42/797835342.db2.gz WELXTAAZXUJMIC-MRXNPFEDSA-N 0 3 309.454 2.213 20 30 DEEDHN C=CCOCC(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001155731913 797837250 /nfs/dbraw/zinc/83/72/50/797837250.db2.gz MGNHDSMKMKSXNJ-LBPRGKRZSA-N 0 3 312.360 2.324 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N1CCNC[C@H]1c1cccs1 ZINC001156097256 797923920 /nfs/dbraw/zinc/92/39/20/797923920.db2.gz GEQQWLSUHMMSDT-LBPRGKRZSA-N 0 3 315.358 2.074 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001195924741 797983663 /nfs/dbraw/zinc/98/36/63/797983663.db2.gz YXFXFXXZENJPRL-NUJGCVRESA-N 0 3 308.466 2.330 20 30 DEEDHN Cc1nc(C#N)cnc1-n1cncc1CNCc1ccccc1 ZINC001156496385 798016617 /nfs/dbraw/zinc/01/66/17/798016617.db2.gz JFOWICHRHKLMSU-UHFFFAOYSA-N 0 3 304.357 2.132 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001196291588 798037168 /nfs/dbraw/zinc/03/71/68/798037168.db2.gz VFJKNRNFTNLTEZ-HUUCEWRRSA-N 0 3 314.445 2.258 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001196352798 798043533 /nfs/dbraw/zinc/04/35/33/798043533.db2.gz XNGFPFGYHDFIJB-IAGOWNOFSA-N 0 3 300.402 2.071 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(OC)cc1 ZINC001156767222 798079523 /nfs/dbraw/zinc/07/95/23/798079523.db2.gz UXDOAAXNQYZSES-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN CC[NH+](CC)CCCNC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001196688802 798098424 /nfs/dbraw/zinc/09/84/24/798098424.db2.gz HKAKHNLSAGJHLB-UHFFFAOYSA-N 0 3 306.435 2.282 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001196739051 798102698 /nfs/dbraw/zinc/10/26/98/798102698.db2.gz INQQJESEFUJSON-BWRBCVJASA-N 0 3 320.477 2.330 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1sc(CCC)nc1C ZINC001156890557 798102749 /nfs/dbraw/zinc/10/27/49/798102749.db2.gz OVSLGVHLIZWOPS-GFCCVEGCSA-N 0 3 307.463 2.477 20 30 DEEDHN CO[C@@H](C)CCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156901157 798104379 /nfs/dbraw/zinc/10/43/79/798104379.db2.gz GJORCCRECFFOQW-ZDUSSCGKSA-N 0 3 321.396 2.108 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1cc(F)cc(F)c1 ZINC001157183954 798157941 /nfs/dbraw/zinc/15/79/41/798157941.db2.gz FXMMEQYWHCBICY-CYBMUJFWSA-N 0 3 324.371 2.194 20 30 DEEDHN C=CCn1cc(C(=O)N2CCCN(CCCC(C)C)CC2)nn1 ZINC001197369888 798183295 /nfs/dbraw/zinc/18/32/95/798183295.db2.gz NGSYWHYGWZBVGL-UHFFFAOYSA-N 0 3 319.453 2.048 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001197637573 798222626 /nfs/dbraw/zinc/22/26/26/798222626.db2.gz RSLAGQBURUFWER-IAGOWNOFSA-N 0 3 320.477 2.330 20 30 DEEDHN C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001157573473 798233019 /nfs/dbraw/zinc/23/30/19/798233019.db2.gz MFMCETMEOYRMRB-OAHLLOKOSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001157573473 798233021 /nfs/dbraw/zinc/23/30/21/798233021.db2.gz MFMCETMEOYRMRB-OAHLLOKOSA-N 0 3 300.402 2.342 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001197774970 798236848 /nfs/dbraw/zinc/23/68/48/798236848.db2.gz BYKSZTTYMVDNRZ-BZUAXINKSA-N 0 3 314.445 2.422 20 30 DEEDHN Cc1cnccc1C(=O)NCCCNCc1ccccc1C#N ZINC001157615945 798243381 /nfs/dbraw/zinc/24/33/81/798243381.db2.gz KGKWJTPWHVEDGF-UHFFFAOYSA-N 0 3 308.385 2.171 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1cnc(-c2ccccc2)o1 ZINC001157682859 798257171 /nfs/dbraw/zinc/25/71/71/798257171.db2.gz SYICBJIAMOYMQX-UHFFFAOYSA-N 0 3 323.396 2.351 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H](C)COc2ccccc2)CC1 ZINC001198128928 798281642 /nfs/dbraw/zinc/28/16/42/798281642.db2.gz AIQVZZYTBGGRPE-QGZVFWFLSA-N 0 3 314.429 2.259 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001157892742 798299944 /nfs/dbraw/zinc/29/99/44/798299944.db2.gz MYMFXKFSCQZYTF-MRXNPFEDSA-N 0 3 319.449 2.452 20 30 DEEDHN CN(CCOCC1CC1)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001157924864 798307587 /nfs/dbraw/zinc/30/75/87/798307587.db2.gz DUPXCBGLOOOQKH-GOSISDBHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCOCC(F)F ZINC001157964433 798316376 /nfs/dbraw/zinc/31/63/76/798316376.db2.gz AXKNUEPPOTXXDZ-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCCN(CC[C@H]2CCCCO2)CC1 ZINC001198344662 798320204 /nfs/dbraw/zinc/32/02/04/798320204.db2.gz VSDBIFAEKFILSQ-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 ZINC001198351189 798326240 /nfs/dbraw/zinc/32/62/40/798326240.db2.gz MEUPISUGSGFHLG-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)CSC)c1ccccc1OC ZINC001198515732 798353077 /nfs/dbraw/zinc/35/30/77/798353077.db2.gz PGPKHIOPWZOYRF-AWEZNQCLSA-N 0 3 308.447 2.381 20 30 DEEDHN CCCN[C@H](CNC(=O)CSCC#N)c1ccccc1OC ZINC001198555403 798361636 /nfs/dbraw/zinc/36/16/36/798361636.db2.gz UKOXAHCEEDDNCY-CQSZACIVSA-N 0 3 321.446 2.109 20 30 DEEDHN C=CCCN[C@H](CNC(=O)CCOCC)c1ccccc1OC ZINC001198604792 798365134 /nfs/dbraw/zinc/36/51/34/798365134.db2.gz ARXHTBRXYIHJCL-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCOCC(=O)NC[C@H](NCCCC)c1ccccc1OC ZINC001198604822 798365292 /nfs/dbraw/zinc/36/52/92/798365292.db2.gz BQVSOAVDBWYXDS-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cn(-c2ccccc2)cn1 ZINC001158492706 798415927 /nfs/dbraw/zinc/41/59/27/798415927.db2.gz KLZZFXFPLAVGTH-UHFFFAOYSA-N 0 3 318.808 2.334 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](NCC)c2ccccc2OC)cn1 ZINC001198960488 798420620 /nfs/dbraw/zinc/42/06/20/798420620.db2.gz HXCNKADKUSXROA-KRWDZBQOSA-N 0 3 323.396 2.152 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001199001517 798428674 /nfs/dbraw/zinc/42/86/74/798428674.db2.gz GNLQGMMDKLFLRA-ZBFHGGJFSA-N 0 3 320.433 2.442 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C2CC2)C1 ZINC001199164609 798447033 /nfs/dbraw/zinc/44/70/33/798447033.db2.gz VTVJZOJOEZVVKE-USXIJHARSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2ccsc2)C1 ZINC001200093242 798585130 /nfs/dbraw/zinc/58/51/30/798585130.db2.gz SIMYOCCTOKTRRD-OAHLLOKOSA-N 0 3 308.447 2.421 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CC2=CCCCC2)CCCO1 ZINC001200084492 798587330 /nfs/dbraw/zinc/58/73/30/798587330.db2.gz WWKKFIREQSAMBS-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2oc(C)nc2C)CC1 ZINC001159738831 798602447 /nfs/dbraw/zinc/60/24/47/798602447.db2.gz BAYKOIJOIDEQJJ-UHFFFAOYSA-N 0 3 301.390 2.067 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)OCCCO2 ZINC001159923409 798626881 /nfs/dbraw/zinc/62/68/81/798626881.db2.gz FCIWMAMLFZBHDS-UHFFFAOYSA-N 0 3 324.808 2.310 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC(NCc2nccs2)CC1 ZINC001200461622 798633183 /nfs/dbraw/zinc/63/31/83/798633183.db2.gz GEMVAPMUPJARFJ-UHFFFAOYSA-N 0 3 305.447 2.273 20 30 DEEDHN N#Cc1cccc(NC(=S)NCCN2CCCCC2)c1F ZINC001200430768 798636561 /nfs/dbraw/zinc/63/65/61/798636561.db2.gz ZRZGXPHDYVLDAL-UHFFFAOYSA-N 0 3 306.410 2.470 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2c(Cl)cnn2C)CC1 ZINC001160151590 798655540 /nfs/dbraw/zinc/65/55/40/798655540.db2.gz YUYLHIOAKKJWSN-UHFFFAOYSA-N 0 3 308.813 2.012 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@@H](CNC/C=C/Cl)C1 ZINC001200620981 798656527 /nfs/dbraw/zinc/65/65/27/798656527.db2.gz GJDMLGWBOYSACL-RRFAQUSLSA-N 0 3 300.830 2.302 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001160296263 798672158 /nfs/dbraw/zinc/67/21/58/798672158.db2.gz FDOWABXYHNQBLT-SJORKVTESA-N 0 3 304.434 2.106 20 30 DEEDHN Cc1nc(-n2nc(-c3ccncc3)cc2CN)ccc1CC#N ZINC001160339283 798678139 /nfs/dbraw/zinc/67/81/39/798678139.db2.gz GFCPLSDLMYSUFZ-UHFFFAOYSA-N 0 3 304.357 2.163 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001160519643 798698934 /nfs/dbraw/zinc/69/89/34/798698934.db2.gz MJIMWPJMHNMYFL-HNNXBMFYSA-N 0 3 322.380 2.054 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ncc(C)cc2C)CC1 ZINC001160736899 798733415 /nfs/dbraw/zinc/73/34/15/798733415.db2.gz UYLSIZHVHQMTJE-UHFFFAOYSA-N 0 3 311.429 2.474 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](C)c2cccs2)CCCO1 ZINC001201390737 798749914 /nfs/dbraw/zinc/74/99/14/798749914.db2.gz RXOORLMUKDJPPD-GJZGRUSLSA-N 0 3 320.458 2.082 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CCCO1 ZINC001201494876 798760562 /nfs/dbraw/zinc/76/05/62/798760562.db2.gz YFVWRWCYOKYLOU-BRWVUGGUSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](C)CC(C)(C)C)CCCO1 ZINC001201575496 798773369 /nfs/dbraw/zinc/77/33/69/798773369.db2.gz BCRQSHNOIKOKNT-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001160997230 798776437 /nfs/dbraw/zinc/77/64/37/798776437.db2.gz LNHMOTSTHKMRMT-UHFFFAOYSA-N 0 3 315.417 2.044 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCCNCc2ccccc2C#N)[nH]1 ZINC001161068173 798791091 /nfs/dbraw/zinc/79/10/91/798791091.db2.gz XEYMAOSKICLLPK-UHFFFAOYSA-N 0 3 310.401 2.413 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@H](CCCC)C(C)C)CCCO1 ZINC001202174524 798836540 /nfs/dbraw/zinc/83/65/40/798836540.db2.gz VRBAMNNWWDYAAS-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(C)CCC(C)CC2)CCCO1 ZINC001202183351 798837169 /nfs/dbraw/zinc/83/71/69/798837169.db2.gz MOVGZZQSNOBMGX-HFCFLWKCSA-N 0 3 320.477 2.433 20 30 DEEDHN CN1CCN(CCCNc2ccc3nc(C#N)ccc3c2)CC1 ZINC001161709764 798918333 /nfs/dbraw/zinc/91/83/33/798918333.db2.gz GNOKERMBFJPTDC-UHFFFAOYSA-N 0 3 309.417 2.156 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cn(C)nc2C(C)C)CC1 ZINC001161874914 798956010 /nfs/dbraw/zinc/95/60/10/798956010.db2.gz MCXRPSZFCYNHGW-UHFFFAOYSA-N 0 3 316.449 2.482 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001161914527 798966578 /nfs/dbraw/zinc/96/65/78/798966578.db2.gz LYKSZAHFRZBJHJ-UHFFFAOYSA-N 0 3 315.417 2.342 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)CCC)(COC)CC1 ZINC001162160994 799024070 /nfs/dbraw/zinc/02/40/70/799024070.db2.gz QKXYXNWTKQMYSI-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)/C=C\C(C)(C)C)(COC)CC1 ZINC001162171654 799025583 /nfs/dbraw/zinc/02/55/83/799025583.db2.gz SSSKDVCIEHIJFP-FPLPWBNLSA-N 0 3 306.450 2.067 20 30 DEEDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cc(F)ccc1C#N ZINC001162351048 799068592 /nfs/dbraw/zinc/06/85/92/799068592.db2.gz KUUPVBUQEBNMMR-MRXNPFEDSA-N 0 3 318.396 2.052 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)C(C)C)(COC)CC1 ZINC001162521209 799108522 /nfs/dbraw/zinc/10/85/22/799108522.db2.gz RRXBKPRVDSSJNC-INIZCTEOSA-N 0 3 308.466 2.147 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@@H]2C(C)C)(COC)CC1 ZINC001162557719 799116487 /nfs/dbraw/zinc/11/64/87/799116487.db2.gz ISALLGKXFHCTCE-IAGOWNOFSA-N 0 3 320.477 2.147 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)c1c(C)noc1C ZINC001114486100 799146429 /nfs/dbraw/zinc/14/64/29/799146429.db2.gz QLXAAKNJWZENDZ-IHQJAULKSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccc3nccnc3c2)CC1 ZINC001006378180 799270263 /nfs/dbraw/zinc/27/02/63/799270263.db2.gz VHZHBIWTSILVDR-UHFFFAOYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCCNCc1oc(C)nc1C ZINC001163344903 799316688 /nfs/dbraw/zinc/31/66/88/799316688.db2.gz OZORIDHDBIWHQO-KRWDZBQOSA-N 0 3 323.437 2.116 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCCOCC)CC1 ZINC001163549335 799373586 /nfs/dbraw/zinc/37/35/86/799373586.db2.gz SPZAQAOSWZCHPM-UHFFFAOYSA-N 0 3 302.846 2.432 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2[nH]c1=O ZINC001163610798 799386498 /nfs/dbraw/zinc/38/64/98/799386498.db2.gz IWPJHIBSLKUZCT-UHFFFAOYSA-N 0 3 319.792 2.402 20 30 DEEDHN COc1ccc(N[C@H]2CCCC[C@@]23CNCCO3)c(CC#N)c1 ZINC001163650580 799395944 /nfs/dbraw/zinc/39/59/44/799395944.db2.gz TUAVANUIUXQBSQ-ZWKOTPCHSA-N 0 3 315.417 2.474 20 30 DEEDHN Cc1cc(CN)nn1-c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001163980965 799471145 /nfs/dbraw/zinc/47/11/45/799471145.db2.gz BUBXJVPBRKJNKC-UHFFFAOYSA-N 0 3 320.400 2.437 20 30 DEEDHN CC1(C(=O)NCCCNCc2ccc(C#N)cc2F)CCC1 ZINC001164013689 799482745 /nfs/dbraw/zinc/48/27/45/799482745.db2.gz LGMPUYKAKRSPBF-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)COC(C)(C)C)CC1 ZINC001164179071 799532543 /nfs/dbraw/zinc/53/25/43/799532543.db2.gz WFZTYEGHOLJZFT-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN CC#CCCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001164262754 799556161 /nfs/dbraw/zinc/55/61/61/799556161.db2.gz KXZOXRAQDJFZOP-UHFFFAOYSA-N 0 3 323.418 2.446 20 30 DEEDHN C#CCCCC(=O)NCCC1(CNCc2conc2CC)CC1 ZINC001164297824 799564069 /nfs/dbraw/zinc/56/40/69/799564069.db2.gz QCNIYMBECRABQN-UHFFFAOYSA-N 0 3 317.433 2.417 20 30 DEEDHN Cc1ncc(CNCC2(CCNC(=O)C#CC(C)(C)C)CC2)o1 ZINC001164472097 799605155 /nfs/dbraw/zinc/60/51/55/799605155.db2.gz XMVFVQWFWWNKCH-UHFFFAOYSA-N 0 3 317.433 2.409 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@H]2CC[C@H](F)C2)c1 ZINC001164630796 799636082 /nfs/dbraw/zinc/63/60/82/799636082.db2.gz DYAZGKPCQBVWHX-ZFWWWQNUSA-N 0 3 321.371 2.431 20 30 DEEDHN CN(C)C1(C)CN(C(F)(F)c2cc(Cl)nc(C#N)c2)C1 ZINC001165117554 799653340 /nfs/dbraw/zinc/65/33/40/799653340.db2.gz HHDXKKJAOPVRRF-UHFFFAOYSA-N 0 3 300.740 2.292 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(F)(F)F)C2 ZINC001110912551 799750837 /nfs/dbraw/zinc/75/08/37/799750837.db2.gz HRYIPFVAOJIIEH-LPWJVIDDSA-N 0 3 320.355 2.109 20 30 DEEDHN C=C1CCC(C(=O)NCCCNCc2nccn2CC)CC1 ZINC001165901256 799791443 /nfs/dbraw/zinc/79/14/43/799791443.db2.gz QCXBHGGYOCGYOF-UHFFFAOYSA-N 0 3 304.438 2.245 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2cccc(OC)n2)CC1 ZINC001165913930 799793957 /nfs/dbraw/zinc/79/39/57/799793957.db2.gz OYAGHRSWVCDUOL-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCNCc2cc(OC)ns2)C1 ZINC001166249561 799852176 /nfs/dbraw/zinc/85/21/76/799852176.db2.gz WCWBJSOADVPQBA-UHFFFAOYSA-N 0 3 309.435 2.104 20 30 DEEDHN CCCCCCN(C)CC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 ZINC001203505397 800064887 /nfs/dbraw/zinc/06/48/87/800064887.db2.gz CPLARMPTIREFRA-HOTGVXAUSA-N 0 3 320.481 2.039 20 30 DEEDHN C#CCN(C[C@@H](O)Cn1cccn1)[C@@H]1CCCc2ccccc21 ZINC000933421288 800089833 /nfs/dbraw/zinc/08/98/33/800089833.db2.gz GZIVMPHAQHZARO-IEBWSBKVSA-N 0 3 309.413 2.257 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](CCO)C2CCCC2)c1C#N ZINC000934009126 800242648 /nfs/dbraw/zinc/24/26/48/800242648.db2.gz FTKZSAROMJWDNS-KRWDZBQOSA-N 0 3 316.401 2.376 20 30 DEEDHN Cc1nc(C#N)c(Nc2ccc(CN3CCN(C)CC3)cc2)o1 ZINC001204733956 800251164 /nfs/dbraw/zinc/25/11/64/800251164.db2.gz JOEXZPNUQTVFGM-UHFFFAOYSA-N 0 3 311.389 2.346 20 30 DEEDHN C=CCOCC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001204793146 800258075 /nfs/dbraw/zinc/25/80/75/800258075.db2.gz AWLKCORIYBOIQF-JYRVWZFOSA-N 0 3 321.248 2.336 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001204799286 800259089 /nfs/dbraw/zinc/25/90/89/800259089.db2.gz VUDOMGOTOXHJED-HAAVITCDSA-N 0 3 304.221 2.293 20 30 DEEDHN N#C[C@H](c1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934267730 800305853 /nfs/dbraw/zinc/30/58/53/800305853.db2.gz DLJAGSKDYBSVNI-YESZJQIVSA-N 0 3 319.836 2.436 20 30 DEEDHN CC(C)C#CC(=O)N1CCC(CN[C@@H](C)c2cnccn2)CC1 ZINC001205218267 800318706 /nfs/dbraw/zinc/31/87/06/800318706.db2.gz VNRKMEMIYKEOAL-HNNXBMFYSA-N 0 3 314.433 2.025 20 30 DEEDHN Cc1nc(CNCC2CCN(C(=O)C#CC(C)C)CC2)cs1 ZINC001205224338 800323280 /nfs/dbraw/zinc/32/32/80/800323280.db2.gz PFOSDAOFMQSGKC-UHFFFAOYSA-N 0 3 319.474 2.439 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CNCc2cc(OC)no2)CC1 ZINC001205407706 800354099 /nfs/dbraw/zinc/35/40/99/800354099.db2.gz YYVDDGFBLCSLQN-UHFFFAOYSA-N 0 3 321.421 2.368 20 30 DEEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000934511452 800378605 /nfs/dbraw/zinc/37/86/05/800378605.db2.gz NWYIGVJQXAMZRV-CQSZACIVSA-N 0 3 300.358 2.232 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccncc3OC)C2)C1=O ZINC001206458214 800536825 /nfs/dbraw/zinc/53/68/25/800536825.db2.gz INOKZAKCWKZVMF-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC(CNCc2nccs2)CC1 ZINC001206965432 800642369 /nfs/dbraw/zinc/64/23/69/800642369.db2.gz BMNUSFWGJYSVAC-ZDUSSCGKSA-N 0 3 323.462 2.062 20 30 DEEDHN Cn1cc(CN2CCC3(CC2)c2ccccc2NC3=O)cc1C#N ZINC001207104742 800683683 /nfs/dbraw/zinc/68/36/83/800683683.db2.gz XWDHJPXYFFFBOH-UHFFFAOYSA-N 0 3 320.396 2.383 20 30 DEEDHN CSCCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207212965 800711050 /nfs/dbraw/zinc/71/10/50/800711050.db2.gz JWUIUHNELSJVSR-KRWDZBQOSA-N 0 3 316.470 2.372 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001207421459 800748469 /nfs/dbraw/zinc/74/84/69/800748469.db2.gz UFRYPIPEKBVSFY-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN CC[C@@H](OC)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207591040 800786011 /nfs/dbraw/zinc/78/60/11/800786011.db2.gz BIFWVACPXPRGTK-ZWKOTPCHSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001207634303 800794625 /nfs/dbraw/zinc/79/46/25/800794625.db2.gz AUERRWAKCBCQIJ-OAHLLOKOSA-N 0 3 303.406 2.137 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001207635007 800794933 /nfs/dbraw/zinc/79/49/33/800794933.db2.gz HMDJAOIRDBDTQA-CYBMUJFWSA-N 0 3 319.453 2.149 20 30 DEEDHN Cc1nc(C(=O)N2CCC[C@@H](NCC#Cc3ccccc3)C2)co1 ZINC001207884195 800856938 /nfs/dbraw/zinc/85/69/38/800856938.db2.gz XGHNIMQIMGUYRT-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1CC1(C)CCOCC1 ZINC001207968578 800880524 /nfs/dbraw/zinc/88/05/24/800880524.db2.gz MUCBLBGUCZHZOV-MRXNPFEDSA-N 0 3 319.449 2.339 20 30 DEEDHN O=C([C@@H]1CC1(F)F)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207986287 800883903 /nfs/dbraw/zinc/88/39/03/800883903.db2.gz JSLJVKUGEQRPHH-HOTGVXAUSA-N 0 3 318.367 2.274 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C2 ZINC001111240167 800890333 /nfs/dbraw/zinc/89/03/33/800890333.db2.gz QKSCZARZRMZLPS-NDBYEHHHSA-N 0 3 320.355 2.251 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001208307051 800949555 /nfs/dbraw/zinc/94/95/55/800949555.db2.gz VUEYVVNENUFGLH-BRWVUGGUSA-N 0 3 306.450 2.372 20 30 DEEDHN COC(=O)N1CCCN(CCCc2ccc(C#N)cc2)CC1 ZINC001208855396 801080343 /nfs/dbraw/zinc/08/03/43/801080343.db2.gz APFINHINJUQJRY-UHFFFAOYSA-N 0 3 301.390 2.265 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001209146527 801135687 /nfs/dbraw/zinc/13/56/87/801135687.db2.gz PHAOVUNABLSBMD-GOEBONIOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001209169979 801142079 /nfs/dbraw/zinc/14/20/79/801142079.db2.gz OUCGVPXYAKZUJI-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001209240095 801157411 /nfs/dbraw/zinc/15/74/11/801157411.db2.gz ZGUIOVHXJJNPKZ-VNQPRFMTSA-N 0 3 320.433 2.331 20 30 DEEDHN C#CCCCN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001209267607 801161904 /nfs/dbraw/zinc/16/19/04/801161904.db2.gz ROKLLICHIQFUQP-GVDBMIGSSA-N 0 3 300.402 2.353 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001209334486 801172520 /nfs/dbraw/zinc/17/25/20/801172520.db2.gz DAVFTXLXIGDWEG-MRXNPFEDSA-N 0 3 304.438 2.165 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cnccc1N)C2 ZINC001209726106 801265086 /nfs/dbraw/zinc/26/50/86/801265086.db2.gz ORSLNBLSCJYIOF-SFHVURJKSA-N 0 3 314.433 2.027 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2c(C)noc2C)CC1 ZINC001229525693 801289048 /nfs/dbraw/zinc/28/90/48/801289048.db2.gz FOSVGZRQKLIAKJ-GFCCVEGCSA-N 0 3 305.422 2.237 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001210245154 801358430 /nfs/dbraw/zinc/35/84/30/801358430.db2.gz ZNQQKXTXMPFYKN-KBAYOESNSA-N 0 3 315.461 2.302 20 30 DEEDHN C=CCN1CCC(NC(=O)CCCc2nc(C(C)C)no2)CC1 ZINC001230257332 801377535 /nfs/dbraw/zinc/37/75/35/801377535.db2.gz RGTFFLUKOVXTAO-UHFFFAOYSA-N 0 3 320.437 2.282 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001210328688 801377840 /nfs/dbraw/zinc/37/78/40/801377840.db2.gz QFJXHWPNHPIFSP-CRAIPNDOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001210357821 801381412 /nfs/dbraw/zinc/38/14/12/801381412.db2.gz FAIMTJOGFGMGEN-ZBFHGGJFSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@](C)(OC)c2ccccc2)C1 ZINC001210401434 801393312 /nfs/dbraw/zinc/39/33/12/801393312.db2.gz SZXDAKCRVMPTQG-SZVBFZGTSA-N 0 3 314.429 2.008 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001210804752 801466899 /nfs/dbraw/zinc/46/68/99/801466899.db2.gz METYYUVHCBYEND-HOTGVXAUSA-N 0 3 323.481 2.206 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2nc3ccccc3o2)C1 ZINC001210943175 801490338 /nfs/dbraw/zinc/49/03/38/801490338.db2.gz MAQCGKKMZJGMPF-UKRRQHHQSA-N 0 3 313.401 2.383 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H](NCc2ncccc2C)C1 ZINC001211355414 801552878 /nfs/dbraw/zinc/55/28/78/801552878.db2.gz RGKMVRNZISJXCY-INIZCTEOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cnn(C)c1 ZINC001231162354 801596541 /nfs/dbraw/zinc/59/65/41/801596541.db2.gz RZJFOQZOUYYIOW-KRWDZBQOSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C(F)F)CCC2)[C@H](OC)C1 ZINC001213333955 801596542 /nfs/dbraw/zinc/59/65/42/801596542.db2.gz VXPZFKICXYTNGR-CHWSQXEVSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCC(=O)NCC ZINC001231199293 801605315 /nfs/dbraw/zinc/60/53/15/801605315.db2.gz WFMGCILMTVLILS-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccncc2Cl)[C@H](OC)C1 ZINC001213480691 801613421 /nfs/dbraw/zinc/61/34/21/801613421.db2.gz DVDOOAGINBWKTR-HUUCEWRRSA-N 0 3 323.824 2.130 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(OC)c2)[C@H](OC)C1 ZINC001213771288 801641460 /nfs/dbraw/zinc/64/14/60/801641460.db2.gz YUFAQNZOAUYQNO-IAGOWNOFSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1OC)c1ccccc1 ZINC001213900029 801652645 /nfs/dbraw/zinc/65/26/45/801652645.db2.gz QKMZBGWIQZULCT-RCCFBDPRSA-N 0 3 314.429 2.182 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1NCC#Cc1ccccc1 ZINC001214046738 801668918 /nfs/dbraw/zinc/66/89/18/801668918.db2.gz GGCXQJLJJQPZAW-VQIMIIECSA-N 0 3 319.408 2.183 20 30 DEEDHN C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCc1ccccc1F ZINC001214167795 801683231 /nfs/dbraw/zinc/68/32/31/801683231.db2.gz RMIOKPOVIKDJQV-IUODEOHRSA-N 0 3 321.421 2.019 20 30 DEEDHN C[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214394506 801710854 /nfs/dbraw/zinc/71/08/54/801710854.db2.gz OWFGFHLDRUBBNQ-GXXWZAHFSA-N 0 3 308.425 2.441 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001214528972 801726744 /nfs/dbraw/zinc/72/67/44/801726744.db2.gz GLWAPXFFRFIHQE-UKRRQHHQSA-N 0 3 319.836 2.475 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NCCF)C2)cc1 ZINC001214606935 801738070 /nfs/dbraw/zinc/73/80/70/801738070.db2.gz YPZMTEOYVLBTCT-RHSMWYFYSA-N 0 3 318.392 2.108 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001214727906 801752906 /nfs/dbraw/zinc/75/29/06/801752906.db2.gz XHELHYZMMNFYES-CZUORRHYSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(OC)ccn3)C2)C1=O ZINC001231965867 801757610 /nfs/dbraw/zinc/75/76/10/801757610.db2.gz PEKRVGHIEAZBDD-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@]3(CCNC3=O)C2)cc1Cl ZINC001232113418 801795208 /nfs/dbraw/zinc/79/52/08/801795208.db2.gz VGGLMJBOXIUWDI-MRXNPFEDSA-N 0 3 303.793 2.314 20 30 DEEDHN C#Cc1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001216872523 802036788 /nfs/dbraw/zinc/03/67/88/802036788.db2.gz UBSMORZVMVFNTA-UHFFFAOYSA-N 0 3 302.337 2.426 20 30 DEEDHN CCOC(=O)c1ccnc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001233324449 802076831 /nfs/dbraw/zinc/07/68/31/802076831.db2.gz FOHNJKQYCPIWNC-AWEZNQCLSA-N 0 3 318.398 2.032 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)OCCCC)[C@H]2C1 ZINC001217469248 802078581 /nfs/dbraw/zinc/07/85/81/802078581.db2.gz NAYFKZKVGHXTAE-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H](C)OCCCC)[C@H]2C1 ZINC001217469782 802078709 /nfs/dbraw/zinc/07/87/09/802078709.db2.gz SOSZHHMLVSHDIP-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CN(CCCC)C[C@@H]21 ZINC001217985717 802128058 /nfs/dbraw/zinc/12/80/58/802128058.db2.gz CKEQFLKGJKMGHY-DLBZAZTESA-N 0 3 306.450 2.467 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001233488707 802129955 /nfs/dbraw/zinc/12/99/55/802129955.db2.gz DXXDXUKMANDBLA-CZUORRHYSA-N 0 3 315.417 2.161 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCCC34CC4)[C@H]2C1 ZINC001218167163 802148868 /nfs/dbraw/zinc/14/88/68/802148868.db2.gz AEHMUHVSDVZFLF-YESZJQIVSA-N 0 3 318.461 2.445 20 30 DEEDHN N#Cc1ccc([C@H](N)CC(=O)Nc2ccc(Cl)nc2N)cc1 ZINC001218765963 802239432 /nfs/dbraw/zinc/23/94/32/802239432.db2.gz DMIKZSRJLZSDAK-LLVKDONJSA-N 0 3 315.764 2.217 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1C[C@H](OC)C1CCC1 ZINC001233948326 802249288 /nfs/dbraw/zinc/24/92/88/802249288.db2.gz UYQXKCIOPUCGQQ-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CCCCCC)C[C@@H]21 ZINC001219065550 802279534 /nfs/dbraw/zinc/27/95/34/802279534.db2.gz IHWVWTIVZNBRGA-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001219102179 802282677 /nfs/dbraw/zinc/28/26/77/802282677.db2.gz VSHWMPWYHQZGLZ-MJBXVCDLSA-N 0 3 308.447 2.186 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCCC1CCOCC1 ZINC001234160500 802314279 /nfs/dbraw/zinc/31/42/79/802314279.db2.gz HOWQZFOQWZWYHY-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCCCC=C ZINC001234267020 802339176 /nfs/dbraw/zinc/33/91/76/802339176.db2.gz UWNZRIVIXQNPFO-IAGOWNOFSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN([C@@H](CC)c2ccccc2)C[C@@H]1O ZINC001219523415 802341334 /nfs/dbraw/zinc/34/13/34/802341334.db2.gz GSGCJLIAAGAVKN-SQNIBIBYSA-N 0 3 314.429 2.103 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001219706524 802369958 /nfs/dbraw/zinc/36/99/58/802369958.db2.gz BKYYIVDWMCDWID-USQNJUIBSA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2ccc(C)cc2)C[C@@H]1O ZINC001219717050 802373878 /nfs/dbraw/zinc/37/38/78/802373878.db2.gz LEJRNTBWAYAYLV-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](O)C1 ZINC001219806863 802378926 /nfs/dbraw/zinc/37/89/26/802378926.db2.gz 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ZINC001220612844 802479307 /nfs/dbraw/zinc/47/93/07/802479307.db2.gz HPDWRDFSCCCYNV-SJORKVTESA-N 0 3 321.465 2.010 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001220750001 802493427 /nfs/dbraw/zinc/49/34/27/802493427.db2.gz GILQMRSKKBBNRW-ZNMIVQPWSA-N 0 3 320.433 2.280 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@@H](O)C1 ZINC001220762018 802494299 /nfs/dbraw/zinc/49/42/99/802494299.db2.gz HGDGPRWZYYUCBS-XHSDSOJGSA-N 0 3 314.445 2.422 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@@H](O)C1 ZINC001220761761 802494429 /nfs/dbraw/zinc/49/44/29/802494429.db2.gz BYKSZTTYMVDNRZ-XHSDSOJGSA-N 0 3 314.445 2.422 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220775847 802496697 /nfs/dbraw/zinc/49/66/97/802496697.db2.gz POPVXIWFGJRQHX-UPJWGTAASA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3c(F)cncc3F)[C@@H]2C1 ZINC001221579359 802594113 /nfs/dbraw/zinc/59/41/13/802594113.db2.gz AKIPNVBZMMXVIS-IUODEOHRSA-N 0 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ZINC001225214886 802944301 /nfs/dbraw/zinc/94/43/01/802944301.db2.gz AQFXXKGUHOZUBN-GOSISDBHSA-N 0 3 314.429 2.226 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(C)(C)C(F)(F)F)CC1 ZINC001225220548 802944372 /nfs/dbraw/zinc/94/43/72/802944372.db2.gz AODJRIZVJPWABE-UHFFFAOYSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC001225264260 802948054 /nfs/dbraw/zinc/94/80/54/802948054.db2.gz ZDICPBPEZNMORK-UHFFFAOYSA-N 0 3 309.413 2.172 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2ccccc2Cl)CC1 ZINC001225410243 802962266 /nfs/dbraw/zinc/96/22/66/802962266.db2.gz ARMMOQDWNOIMIY-UHFFFAOYSA-N 0 3 320.820 2.180 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2cc(F)ccc2F)CC1 ZINC001225577394 802985563 /nfs/dbraw/zinc/98/55/63/802985563.db2.gz FSRDOALTGMGSBA-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC(F)(F)C(F)(F)F)CC1 ZINC001225695181 803003185 /nfs/dbraw/zinc/00/31/85/803003185.db2.gz XPNQPEWWSXZKDG-UHFFFAOYSA-N 0 3 312.282 2.036 20 30 DEEDHN Cc1ccc(CN2CCC(NC(=O)CSCC#N)CC2)cc1 ZINC001226144217 803060932 /nfs/dbraw/zinc/06/09/32/803060932.db2.gz BBNPDFREOQAZRF-UHFFFAOYSA-N 0 3 317.458 2.332 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001226481443 803114714 /nfs/dbraw/zinc/11/47/14/803114714.db2.gz IOXJPFBZXORPMF-ZIAGYGMSSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]cn1 ZINC001226671697 803141116 /nfs/dbraw/zinc/14/11/16/803141116.db2.gz NTHVTHRUJYOTCV-ZIAGYGMSSA-N 0 3 310.829 2.112 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccsc2C)CC1 ZINC001227220831 803216944 /nfs/dbraw/zinc/21/69/44/803216944.db2.gz OFDJIYDKMRXVRK-UHFFFAOYSA-N 0 3 308.447 2.453 20 30 DEEDHN CC(C)(C)C#CC(=O)NC1CCN(CCOC2CCC2)CC1 ZINC001227281443 803226500 /nfs/dbraw/zinc/22/65/00/803226500.db2.gz VCLAXIXIQVARTH-UHFFFAOYSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCCCC[NH+]1CCC(NC(=O)c2cnc[n-]c2=O)CC1 ZINC001227930171 803296592 /nfs/dbraw/zinc/29/65/92/803296592.db2.gz PEGITDROOCSYLH-UHFFFAOYSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)(C)C ZINC001228269284 803336584 /nfs/dbraw/zinc/33/65/84/803336584.db2.gz DKPVBGCNZZFFPU-HUUCEWRRSA-N 0 3 323.481 2.274 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](OC)C(C)C ZINC001228355222 803349870 /nfs/dbraw/zinc/34/98/70/803349870.db2.gz JDFZAYJFNCPEGL-MCIONIFRSA-N 0 3 302.846 2.427 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001228970393 803437918 /nfs/dbraw/zinc/43/79/18/803437918.db2.gz CMJHXARNMUZOQW-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001334146120 1150211182 /nfs/dbraw/zinc/21/11/82/1150211182.db2.gz WSJFCEOSSSDMJT-SWLSCSKDSA-N 0 3 317.364 2.006 20 30 DEEDHN C[C@@H](NC(=O)c1cscn1)[C@H](C)NCc1ccc(C#N)s1 ZINC001368839222 1148704710 /nfs/dbraw/zinc/70/47/10/1148704710.db2.gz FXGAUUMLDLNSFN-VHSXEESVSA-N 0 3 320.443 2.373 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1ccccc1C(C)C ZINC001331122145 1149384000 /nfs/dbraw/zinc/38/40/00/1149384000.db2.gz BMRDQPGVVUYRTO-UHFFFAOYSA-N 0 3 302.418 2.121 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1[nH]nc2ccccc21)C1CC1 ZINC001370267004 1149442060 /nfs/dbraw/zinc/44/20/60/1149442060.db2.gz USCWTXBZFPFQRO-AWEZNQCLSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC(C)(C)C ZINC001331457790 1149466450 /nfs/dbraw/zinc/46/64/50/1149466450.db2.gz GOZJGYKRBDBZBS-UONOGXRCSA-N 0 3 311.470 2.082 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C(C)C ZINC001419915718 1168921561 /nfs/dbraw/zinc/92/15/61/1168921561.db2.gz TUJQDRIRYOXWST-FMKPAKJESA-N 0 3 314.857 2.429 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001331645428 1149573340 /nfs/dbraw/zinc/57/33/40/1149573340.db2.gz AYJRGKBIFHHIBX-FHERZECASA-N 0 3 308.466 2.145 20 30 DEEDHN CC(C)Oc1ccccc1CNC[C@H](C)NC(=O)[C@H](C)C#N ZINC001420405787 1169484832 /nfs/dbraw/zinc/48/48/32/1169484832.db2.gz SDHHTAWXAGOALP-KGLIPLIRSA-N 0 3 303.406 2.228 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCOC23CCCC3)CC1 ZINC001343096276 1150680854 /nfs/dbraw/zinc/68/08/54/1150680854.db2.gz BALJVDLUYSAFBX-HNNXBMFYSA-N 0 3 307.438 2.038 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](C)Oc1cccc(F)c1 ZINC001327213406 1148399024 /nfs/dbraw/zinc/39/90/24/1148399024.db2.gz SEWCWFBMXLQBTD-HNNXBMFYSA-N 0 3 320.408 2.397 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC001343511032 1150748671 /nfs/dbraw/zinc/74/86/71/1150748671.db2.gz WRJRJMSFBOFGCE-PSHZPRKYSA-N 0 3 316.357 2.014 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COC(F)(F)F)c1 ZINC001343582953 1150754511 /nfs/dbraw/zinc/75/45/11/1150754511.db2.gz NCMQUSGNMKIQGL-SNVBAGLBSA-N 0 3 300.236 2.179 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001574963474 1069310404 /nfs/dbraw/zinc/31/04/04/1069310404.db2.gz VDHMGNLSBCJYRE-CZUORRHYSA-N 0 3 319.836 2.118 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1 ZINC001574971763 1069313942 /nfs/dbraw/zinc/31/39/42/1069313942.db2.gz HWVZWBGQYAUIPW-CJNGLKHVSA-N 0 3 315.417 2.028 20 30 DEEDHN C#CCSCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001343941662 1150786045 /nfs/dbraw/zinc/78/60/45/1150786045.db2.gz WQPZXMRRMLANDG-HZMBPMFUSA-N 0 3 311.334 2.442 20 30 DEEDHN C#CCSCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001343941663 1150786316 /nfs/dbraw/zinc/78/63/16/1150786316.db2.gz WQPZXMRRMLANDG-IINYFYTJSA-N 0 3 311.334 2.442 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CC(C)(C)O ZINC001567252020 1075475240 /nfs/dbraw/zinc/47/52/40/1075475240.db2.gz ZBIANCRKJCWZJP-ZDUSSCGKSA-N 0 3 302.846 2.261 20 30 DEEDHN N#CC(C(=O)Cc1coc2c1ccc(F)c2F)C(=O)NC1CC1 ZINC001346239886 1150957472 /nfs/dbraw/zinc/95/74/72/1150957472.db2.gz OJDAOODEGLDDOK-LLVKDONJSA-N 0 3 318.279 2.241 20 30 DEEDHN C=C[C@@H](C(=O)N[C@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC001346765902 1151022128 /nfs/dbraw/zinc/02/21/28/1151022128.db2.gz ZZEYMQDTYDGLQN-SJLPKXTDSA-N 0 3 315.461 2.098 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C)OC ZINC001328463902 1148797593 /nfs/dbraw/zinc/79/75/93/1148797593.db2.gz LIMQUPMNFBXURV-PBHICJAKSA-N 0 3 302.418 2.313 20 30 DEEDHN CC#CCN1CCN(CCCCCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001328501965 1148803334 /nfs/dbraw/zinc/80/33/34/1148803334.db2.gz UHMWQCXFZMHFMS-SFHVURJKSA-N 0 3 321.509 2.206 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602753291 1069744609 /nfs/dbraw/zinc/74/46/09/1069744609.db2.gz NMXAGBWDPNPVBU-DOMZBBRYSA-N 0 3 317.368 2.077 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602753291 1069744633 /nfs/dbraw/zinc/74/46/33/1069744633.db2.gz NMXAGBWDPNPVBU-DOMZBBRYSA-N 0 3 317.368 2.077 20 30 DEEDHN C=Cc1ccc(C(=O)NC2(CO)CCN(CC(=C)C)CC2)cc1 ZINC001328555261 1148809344 /nfs/dbraw/zinc/80/93/44/1148809344.db2.gz UMFYBUPDIUZHMC-UHFFFAOYSA-N 0 3 314.429 2.462 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCCc2nc(C)no2)[C@@H](C)C1 ZINC001328238282 1148749733 /nfs/dbraw/zinc/74/97/33/1148749733.db2.gz DBSQDCGDGCOEQD-ZFWWWQNUSA-N 0 3 320.437 2.246 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(F)nc1 ZINC001328684511 1148823791 /nfs/dbraw/zinc/82/37/91/1148823791.db2.gz YQDQUUKQFOUYQL-SJLPKXTDSA-N 0 3 323.371 2.229 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC1(F)F ZINC001328733866 1148829352 /nfs/dbraw/zinc/82/93/52/1148829352.db2.gz RWQVTIDIXHIIHS-KBPBESRZSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H]1CN(C)C[C@@H]1CCCCO1 ZINC001328797506 1148836290 /nfs/dbraw/zinc/83/62/90/1148836290.db2.gz OLTOBNQVQNWSBL-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CCCc1nc(C)c(CN[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)o1 ZINC001368551621 1148490582 /nfs/dbraw/zinc/49/05/82/1148490582.db2.gz SFBLYNUYUVDCDV-UBHSHLNASA-N 0 3 318.421 2.080 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCC(=O)Nc1ccccc1 ZINC001328998342 1148855773 /nfs/dbraw/zinc/85/57/73/1148855773.db2.gz STQVISNPGDADEZ-KBPBESRZSA-N 0 3 303.406 2.074 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC001460153389 1058270509 /nfs/dbraw/zinc/27/05/09/1058270509.db2.gz YWDSEJZJCVNSDH-MSOLQXFVSA-N 0 3 300.402 2.340 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)C2CC(C)(C)C2)c1 ZINC001460217093 1058279109 /nfs/dbraw/zinc/27/91/09/1058279109.db2.gz WZYFELXJHCJALU-UHFFFAOYSA-N 0 3 313.401 2.436 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001499874196 1058340822 /nfs/dbraw/zinc/34/08/22/1058340822.db2.gz IFMSSPYVVKSZTK-NVXWUHKLSA-N 0 3 316.470 2.370 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NCCC ZINC001499896974 1058354441 /nfs/dbraw/zinc/35/44/41/1058354441.db2.gz KBFGUUXNEQNAST-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C/C=C(/C)C=C)C2)CC1 ZINC001500018582 1058434284 /nfs/dbraw/zinc/43/42/84/1058434284.db2.gz LDLOZYQSFUKCLI-LTFKWQPMSA-N 0 3 316.445 2.129 20 30 DEEDHN C#CCN(C(=O)CC)C1CCN(CCOCC2CCC2)CC1 ZINC001500019611 1058434711 /nfs/dbraw/zinc/43/47/11/1058434711.db2.gz HPTSYWCRMJUQTK-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C(=O)CCCC(C)=O)C1CCN(CC[C@@H](C)F)CC1 ZINC001500023035 1058438734 /nfs/dbraw/zinc/43/87/34/1058438734.db2.gz LIWCWCZSWXOAIE-OAHLLOKOSA-N 0 3 324.440 2.420 20 30 DEEDHN C#CCN(C(=O)CC[C@H]1CC[C@@H](C)O1)C1CCN(CC=C)CC1 ZINC001500058285 1058456679 /nfs/dbraw/zinc/45/66/79/1058456679.db2.gz XFNLZUOUGMZYOW-SJLPKXTDSA-N 0 3 318.461 2.446 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC001460757187 1058501128 /nfs/dbraw/zinc/50/11/28/1058501128.db2.gz ISGQCCLMVHGFMO-AWEZNQCLSA-N 0 3 320.820 2.180 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)OCC(C)C)C2 ZINC001500156294 1058527181 /nfs/dbraw/zinc/52/71/81/1058527181.db2.gz MPMDHOQJJAPISO-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN CC[C@@H](C)C(=O)N1CCCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001500154214 1058529253 /nfs/dbraw/zinc/52/92/53/1058529253.db2.gz GEGYJSDYQNIKKE-IEBWSBKVSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cccc(F)c2F)C1 ZINC001500253655 1058641931 /nfs/dbraw/zinc/64/19/31/1058641931.db2.gz JLBUXLFZKAAZPU-KRWDZBQOSA-N 0 3 324.371 2.362 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@](C)(CNCc3nccn3C)C2)C1 ZINC001500375783 1058732976 /nfs/dbraw/zinc/73/29/76/1058732976.db2.gz AWQKENSYUGSROS-KRWDZBQOSA-N 0 3 316.449 2.105 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001500436360 1058782242 /nfs/dbraw/zinc/78/22/42/1058782242.db2.gz HQMZAAVJRRHHDZ-SJORKVTESA-N 0 3 318.461 2.186 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001500441207 1058787191 /nfs/dbraw/zinc/78/71/91/1058787191.db2.gz AYJVMSITVAQUFD-LJQANCHMSA-N 0 3 318.461 2.211 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@]1(C)CCCN(CC#CC)C1 ZINC001500481531 1058832970 /nfs/dbraw/zinc/83/29/70/1058832970.db2.gz FHRLNZIOOBKOHG-FUHWJXTLSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2csc(COC)n2)C1 ZINC001500553337 1058918841 /nfs/dbraw/zinc/91/88/41/1058918841.db2.gz WJRMFARLPKUTJZ-INIZCTEOSA-N 0 3 323.462 2.307 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)C[C@@H](C)SC)C1 ZINC001500611554 1058961747 /nfs/dbraw/zinc/96/17/47/1058961747.db2.gz VGDKXWPBMSRTRF-CHWSQXEVSA-N 0 3 318.433 2.225 20 30 DEEDHN C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(CC(=C)C)C2)cc1 ZINC001500729438 1059046548 /nfs/dbraw/zinc/04/65/48/1059046548.db2.gz LQKOHIBJBZWSRM-SFHVURJKSA-N 0 3 300.402 2.072 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2csnc2OC)C1 ZINC001501033962 1059222976 /nfs/dbraw/zinc/22/29/76/1059222976.db2.gz RBYICRZQVSWGNW-OLZOCXBDSA-N 0 3 323.462 2.445 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](CCNCc2ccncc2Cl)C1 ZINC001501544794 1059540809 /nfs/dbraw/zinc/54/08/09/1059540809.db2.gz RWETUWRDJWGNCV-OLZOCXBDSA-N 0 3 320.824 2.223 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](CCN[C@H](C)c2cnccn2)C1 ZINC001501565378 1059549930 /nfs/dbraw/zinc/54/99/30/1059549930.db2.gz HYFONKJJTBJWEJ-CVEARBPZSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cnn(CC)c2C)cc1 ZINC001501681708 1059633218 /nfs/dbraw/zinc/63/32/18/1059633218.db2.gz PCVDUSIYBYONEK-AWEZNQCLSA-N 0 3 324.428 2.425 20 30 DEEDHN C#CCNC1(CNC(=O)c2cn(C)c3ccc(F)cc23)CCC1 ZINC001501962324 1059811459 /nfs/dbraw/zinc/81/14/59/1059811459.db2.gz UBJAYFODQMWYAT-UHFFFAOYSA-N 0 3 313.376 2.193 20 30 DEEDHN Cc1nsc(C)c1CN1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 ZINC001502113773 1059950732 /nfs/dbraw/zinc/95/07/32/1059950732.db2.gz SJGKHLOQFTUXAW-BXUZGUMPSA-N 0 3 320.462 2.390 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CCc2cncc(C)c2)CC1 ZINC001502127785 1059969235 /nfs/dbraw/zinc/96/92/35/1059969235.db2.gz URBBFXVAPSRILO-SFHVURJKSA-N 0 3 313.445 2.317 20 30 DEEDHN C[C@H](NCc1cnn(C(C)(C)C)c1)[C@H](C)NC(=O)C#CC1CC1 ZINC001329040181 1148859946 /nfs/dbraw/zinc/85/99/46/1148859946.db2.gz WVCVAOKHAWVYLG-KBPBESRZSA-N 0 3 316.449 2.034 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(CCOCC2CC2)[C@@H](C)C1 ZINC001502924624 1060401612 /nfs/dbraw/zinc/40/16/12/1060401612.db2.gz ZBFIZQWBJSPJST-RDJZCZTQSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H](C)NC(=O)C1CCCC1 ZINC001505543756 1060691376 /nfs/dbraw/zinc/69/13/76/1060691376.db2.gz CJWRANXZPRFBTN-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](NC(=O)C(C)(F)F)[C@H](C)NCc1ccc(C#N)cc1F ZINC001505544950 1060692930 /nfs/dbraw/zinc/69/29/30/1060692930.db2.gz RVWHSIZAQLRLLM-VHSXEESVSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H](C)NC(=O)C(C)(F)F ZINC001505544949 1060693240 /nfs/dbraw/zinc/69/32/40/1060693240.db2.gz RVWHSIZAQLRLLM-UWVGGRQHSA-N 0 3 313.323 2.335 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)SC)C1 ZINC001479355167 1061409485 /nfs/dbraw/zinc/40/94/85/1061409485.db2.gz WLOFCXAAFOMWAF-GMTAPVOTSA-N 0 3 321.284 2.131 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)CSC)C2)CC1 ZINC001479502488 1061479064 /nfs/dbraw/zinc/47/90/64/1061479064.db2.gz OJEHYZXLJYLIIE-LSDHHAIUSA-N 0 3 308.491 2.322 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)OCC)C2)CC1 ZINC001479497184 1061479205 /nfs/dbraw/zinc/47/92/05/1061479205.db2.gz WQDOPIBKVXQLKA-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCCC ZINC001479564440 1061507053 /nfs/dbraw/zinc/50/70/53/1061507053.db2.gz ODPDDMVMEFXFFE-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001479626380 1061531045 /nfs/dbraw/zinc/53/10/45/1061531045.db2.gz DQLCHDYVVUPNKB-JQFCIGGWSA-N 0 3 315.417 2.149 20 30 DEEDHN CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001479626375 1061532167 /nfs/dbraw/zinc/53/21/67/1061532167.db2.gz DQLCHDYVVUPNKB-COXVUDFISA-N 0 3 315.417 2.149 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)CC(F)(F)F)C[C@@H]2C1 ZINC001479672879 1061585375 /nfs/dbraw/zinc/58/53/75/1061585375.db2.gz BKYSYPYBWCHWTA-OLZOCXBDSA-N 0 3 316.367 2.379 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001479682045 1061594221 /nfs/dbraw/zinc/59/42/21/1061594221.db2.gz WVFVPWXRBUGDNZ-KRWDZBQOSA-N 0 3 316.445 2.139 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ncccc1C(F)(F)F ZINC001479805691 1061803913 /nfs/dbraw/zinc/80/39/13/1061803913.db2.gz GMBOKKGNAUOLFT-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccnn1C ZINC001479825690 1061845930 /nfs/dbraw/zinc/84/59/30/1061845930.db2.gz VZMDRDSCUKROEM-RDJZCZTQSA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001479947359 1062084066 /nfs/dbraw/zinc/08/40/66/1062084066.db2.gz ZITOOPZYXLFYSZ-GJZGRUSLSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001479973433 1062132994 /nfs/dbraw/zinc/13/29/94/1062132994.db2.gz DCKNJILRWDZMCB-LBPRGKRZSA-N 0 3 309.435 2.060 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCCc1cccnc1 ZINC001506579066 1062155661 /nfs/dbraw/zinc/15/56/61/1062155661.db2.gz LDWZFHADORMXMF-SFHVURJKSA-N 0 3 313.445 2.398 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](NCc1ccccc1F)C1CC1 ZINC001480017591 1062191873 /nfs/dbraw/zinc/19/18/73/1062191873.db2.gz MFIYKDQCTSQAEP-QGZVFWFLSA-N 0 3 302.393 2.470 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC001506741783 1062344564 /nfs/dbraw/zinc/34/45/64/1062344564.db2.gz MXGMFOAAXHVPTA-QGZVFWFLSA-N 0 3 316.445 2.258 20 30 DEEDHN CCOCCCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001507050899 1062738341 /nfs/dbraw/zinc/73/83/41/1062738341.db2.gz ARIRTODOIYXGEI-KRWDZBQOSA-N 0 3 316.445 2.291 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)OCc1ccccc1 ZINC001507101705 1062835406 /nfs/dbraw/zinc/83/54/06/1062835406.db2.gz WUMZNGGBEWTRCI-HOTGVXAUSA-N 0 3 302.418 2.052 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccc(Cl)cc2)C1 ZINC001507230786 1062983204 /nfs/dbraw/zinc/98/32/04/1062983204.db2.gz BAZQLJOUJYXTGW-OAHLLOKOSA-N 0 3 322.836 2.263 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC1CCCCCC1 ZINC001480542775 1063005624 /nfs/dbraw/zinc/00/56/24/1063005624.db2.gz GERFZCVVTVGWRA-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](NCc2ccnc(N(C)C)c2)C[C@H]1C ZINC001507310498 1063071510 /nfs/dbraw/zinc/07/15/10/1063071510.db2.gz XHEWHEZVXGWLSC-ZBFHGGJFSA-N 0 3 316.449 2.193 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)c3ccoc3)CCC[C@H]12 ZINC001507337111 1063119213 /nfs/dbraw/zinc/11/92/13/1063119213.db2.gz VXTVWQVEIBRULP-DOTOQJQBSA-N 0 3 304.390 2.209 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC=C)CCOCC2)[C@@H]1C ZINC001507388590 1063213747 /nfs/dbraw/zinc/21/37/47/1063213747.db2.gz WPCGMHLZKSOMDF-DLBZAZTESA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](CNCc2nccnc2C)C1 ZINC001507392237 1063221879 /nfs/dbraw/zinc/22/18/79/1063221879.db2.gz CODHETHQLIJGKQ-CABCVRRESA-N 0 3 302.422 2.126 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C(C)C ZINC001507861763 1063443251 /nfs/dbraw/zinc/44/32/51/1063443251.db2.gz GPJHSBBEUBIHLK-MEUBEVTNSA-N 0 3 302.462 2.471 20 30 DEEDHN C=CCOCC(=O)N[C@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001507902488 1063463993 /nfs/dbraw/zinc/46/39/93/1063463993.db2.gz OZWUTHVYFHAOIV-OAHLLOKOSA-N 0 3 323.412 2.044 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](NC(=O)/C=C(/C)CC)C(C)(C)C ZINC001507931997 1063472752 /nfs/dbraw/zinc/47/27/52/1063472752.db2.gz IPOVVUXIIWZZOL-WJAHIIFUSA-N 0 3 323.481 2.154 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H]1Cc2ccc(F)cc21)CCOC ZINC001508052001 1063519622 /nfs/dbraw/zinc/51/96/22/1063519622.db2.gz WSJVDQPMQZJRSX-KRWDZBQOSA-N 0 3 320.408 2.106 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001493106562 1063571344 /nfs/dbraw/zinc/57/13/44/1063571344.db2.gz GSZFVBURGNGCSM-KBPBESRZSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](OCC)c1ccccc1 ZINC001493159401 1063610373 /nfs/dbraw/zinc/61/03/73/1063610373.db2.gz CJIZSRFSQFOFMR-MSOLQXFVSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C)c(F)c1 ZINC001508243417 1063627749 /nfs/dbraw/zinc/62/77/49/1063627749.db2.gz SWFLWWWELJFCAC-IUODEOHRSA-N 0 3 306.381 2.143 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001493223372 1063648586 /nfs/dbraw/zinc/64/85/86/1063648586.db2.gz OGDRIZQVSQTZSK-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)C2(CCOCC)CCCC2)C1 ZINC001493249167 1063670660 /nfs/dbraw/zinc/67/06/60/1063670660.db2.gz JBCTXXYVGBMEPO-QGZVFWFLSA-N 0 3 320.477 2.435 20 30 DEEDHN CCCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(C#N)c(F)c1 ZINC001493281718 1063693406 /nfs/dbraw/zinc/69/34/06/1063693406.db2.gz UBYOKLGUTFKRPI-ZDUSSCGKSA-N 0 3 316.380 2.185 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(OC)c(OC)c1C)C1CC1 ZINC001493381528 1063759677 /nfs/dbraw/zinc/75/96/77/1063759677.db2.gz QTRPWIBNUABQLM-UHFFFAOYSA-N 0 3 318.417 2.392 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1scnc1C1CCCC1 ZINC001493620188 1063887022 /nfs/dbraw/zinc/88/70/22/1063887022.db2.gz RSMAJCUOZZWGII-UHFFFAOYSA-N 0 3 305.447 2.486 20 30 DEEDHN CCc1cncc(C(=O)N(C)CCNCc2cccc(C#N)c2)c1 ZINC001493630010 1063891739 /nfs/dbraw/zinc/89/17/39/1063891739.db2.gz HXHWVQSSOVIUMH-UHFFFAOYSA-N 0 3 322.412 2.377 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN[C@@H](C)C(=O)N1CCCCC1 ZINC001493652829 1063900132 /nfs/dbraw/zinc/90/01/32/1063900132.db2.gz BVBXHZDLPDHBFS-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)no1 ZINC001493712343 1063929961 /nfs/dbraw/zinc/92/99/61/1063929961.db2.gz HITJZNSCRRWULM-UHFFFAOYSA-N 0 3 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CC#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CO[C@H](C)C1 ZINC001569869550 1065778453 /nfs/dbraw/zinc/77/84/53/1065778453.db2.gz XBBCXMYQRVTJDG-SJLPKXTDSA-N 0 3 314.429 2.053 20 30 DEEDHN Cc1csc(CNC[C@H]2CCC[C@H]2NC(=O)C#CC(C)C)n1 ZINC001496888378 1065779732 /nfs/dbraw/zinc/77/97/32/1065779732.db2.gz PEONSJFPCDTGHJ-HUUCEWRRSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2cc(C)cs2)C1 ZINC001569894878 1065797972 /nfs/dbraw/zinc/79/79/72/1065797972.db2.gz WLUBDCBFRFXBAN-INIZCTEOSA-N 0 3 308.447 2.189 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1OCC ZINC001570026045 1065888305 /nfs/dbraw/zinc/88/83/05/1065888305.db2.gz VBEBRAVSDKLAJM-MSOLQXFVSA-N 0 3 314.429 2.183 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1OCC ZINC001570026047 1065889968 /nfs/dbraw/zinc/88/99/68/1065889968.db2.gz VBEBRAVSDKLAJM-ROUUACIJSA-N 0 3 314.429 2.183 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCOCC2)cc1 ZINC001570030210 1065890893 /nfs/dbraw/zinc/89/08/93/1065890893.db2.gz 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/nfs/dbraw/zinc/08/54/42/1066085442.db2.gz QPVXLNSOLFKOIN-AWEZNQCLSA-N 0 3 318.465 2.416 20 30 DEEDHN CO[C@@H](CNC/C=C\CNC(=O)C#CC1CC1)c1ccccc1 ZINC001497585550 1066151599 /nfs/dbraw/zinc/15/15/99/1066151599.db2.gz XWOWPCMPTJJCBL-XFHJGTJQSA-N 0 3 312.413 2.050 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C/CN[C@@H](C)C(=O)N1CCCCC1 ZINC001497591722 1066183322 /nfs/dbraw/zinc/18/33/22/1066183322.db2.gz URPFRAFNWXFIQP-JFDDCEBESA-N 0 3 321.465 2.006 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCc1ccc(OC)c(F)c1 ZINC001497632052 1066198287 /nfs/dbraw/zinc/19/82/87/1066198287.db2.gz IVZOLMMOSQDSBE-AATRIKPKSA-N 0 3 318.392 2.052 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001497638832 1066202441 /nfs/dbraw/zinc/20/24/41/1066202441.db2.gz IDYBOOCBKNJDLS-BDUNBXCCSA-N 0 3 300.377 2.141 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@@H](C)CCc1ccccc1F ZINC001497676134 1066231126 /nfs/dbraw/zinc/23/11/26/1066231126.db2.gz XJWDRVVPZDOPDO-XHPSBEMXSA-N 0 3 302.393 2.290 20 30 DEEDHN CC(C)(C)Oc1ccc(NC(=O)C[C@H]2CNCCO2)cc1C#N ZINC001575259248 1066242251 /nfs/dbraw/zinc/24/22/51/1066242251.db2.gz SQEKPDYBUFEJAM-AWEZNQCLSA-N 0 3 317.389 2.053 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001497723145 1066264445 /nfs/dbraw/zinc/26/44/45/1066264445.db2.gz QFWXDQZXZUKCTO-SEDCNLEPSA-N 0 3 306.450 2.113 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C1(c2ccccc2F)CCC1 ZINC001497732358 1066272068 /nfs/dbraw/zinc/27/20/68/1066272068.db2.gz RIBQFPOWMYIHKY-WAYWQWQTSA-N 0 3 300.377 2.143 20 30 DEEDHN CC(C)CCc1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)n[nH]1 ZINC001575583564 1066360785 /nfs/dbraw/zinc/36/07/85/1066360785.db2.gz DKIKMDFPIRCEFV-JZLYGMAVSA-N 0 3 315.421 2.076 20 30 DEEDHN Cc1cccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)n1 ZINC001498014049 1066458580 /nfs/dbraw/zinc/45/85/80/1066458580.db2.gz MQTXYUBWLGAQCJ-INIZCTEOSA-N 0 3 307.397 2.150 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)C(C)(C)c1ccc(C)cc1 ZINC001498167528 1066539306 /nfs/dbraw/zinc/53/93/06/1066539306.db2.gz SYQARGZKMQPJPI-INIZCTEOSA-N 0 3 316.445 2.017 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NC(=O)CN(C)CCC)CC1 ZINC001576429402 1066603858 /nfs/dbraw/zinc/60/38/58/1066603858.db2.gz DZQNZVPCASUBTA-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)CCn1cc(Cl)cn1 ZINC001498355750 1066651293 /nfs/dbraw/zinc/65/12/93/1066651293.db2.gz NYFMDVYPGWZJIL-LBPRGKRZSA-N 0 3 312.845 2.185 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1nccn1C ZINC001498476792 1066732734 /nfs/dbraw/zinc/73/27/34/1066732734.db2.gz ZPOQYAJTHLMOGS-CABCVRRESA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(N(C)C)cc1F ZINC001634641086 1078434141 /nfs/dbraw/zinc/43/41/41/1078434141.db2.gz VJGOVVAVSKRZFX-UHFFFAOYSA-N 0 3 307.413 2.472 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001634640823 1078434326 /nfs/dbraw/zinc/43/43/26/1078434326.db2.gz NVXLWQABNHDHSC-OAHLLOKOSA-N 0 3 320.408 2.343 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001634641075 1078434455 /nfs/dbraw/zinc/43/44/55/1078434455.db2.gz UXUOITRAWSVRRB-UHFFFAOYSA-N 0 3 305.378 2.483 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1 ZINC001635757599 1078457935 /nfs/dbraw/zinc/45/79/35/1078457935.db2.gz DRRUUUQZOCPYIB-WMZOPIPTSA-N 0 3 318.461 2.426 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001499093286 1067086853 /nfs/dbraw/zinc/08/68/53/1067086853.db2.gz NSMIIRBFCGBJPX-GJZGRUSLSA-N 0 3 316.449 2.378 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001499108183 1067101005 /nfs/dbraw/zinc/10/10/05/1067101005.db2.gz MPMAVZTWBPHJFG-CVEARBPZSA-N 0 3 323.481 2.158 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CC)CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001499175367 1067130673 /nfs/dbraw/zinc/13/06/73/1067130673.db2.gz WVXBRSUNBNVYQW-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001499227189 1067148094 /nfs/dbraw/zinc/14/80/94/1067148094.db2.gz YKAALZPETOILCZ-ZIAGYGMSSA-N 0 3 318.392 2.163 20 30 DEEDHN COc1cccc(CNC2(CNC(=O)C#CC(C)C)CC2)c1C ZINC001499222268 1067148840 /nfs/dbraw/zinc/14/88/40/1067148840.db2.gz UTDZAHVRPAKEML-UHFFFAOYSA-N 0 3 314.429 2.401 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001499237172 1067150699 /nfs/dbraw/zinc/15/06/99/1067150699.db2.gz SWTZYXLVFDKBJN-INIZCTEOSA-N 0 3 304.434 2.011 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001579032892 1067224142 /nfs/dbraw/zinc/22/41/42/1067224142.db2.gz BCKAZTPJKXKEQH-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](CC)c2ccc(OC)cc2)CC1 ZINC001499461435 1067228918 /nfs/dbraw/zinc/22/89/18/1067228918.db2.gz IWSAVBINFLFJBF-INIZCTEOSA-N 0 3 300.402 2.060 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)c2cc(C)co2)CC1 ZINC001499539467 1067251915 /nfs/dbraw/zinc/25/19/15/1067251915.db2.gz NRVYSILFPSVBEM-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN Cc1c(CN)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)nn1C ZINC001579532740 1067364341 /nfs/dbraw/zinc/36/43/41/1067364341.db2.gz YCWBTHLGSPBLGF-UHFFFAOYSA-N 0 3 311.389 2.241 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1cscn1 ZINC001483430800 1078528636 /nfs/dbraw/zinc/52/86/36/1078528636.db2.gz FEDURVZMXRBQOP-UKRRQHHQSA-N 0 3 323.462 2.110 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@@H](c1ccccc1)C1CC1)C2 ZINC001580044202 1067481056 /nfs/dbraw/zinc/48/10/56/1067481056.db2.gz XPWWKNZIKBVUPP-NRGCRIOASA-N 0 3 323.440 2.436 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccnc1N1CCCCC1 ZINC001580050998 1067483108 /nfs/dbraw/zinc/48/31/08/1067483108.db2.gz WDGVRAFBAQQRNX-CQSZACIVSA-N 0 3 315.421 2.422 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC001580050947 1067483393 /nfs/dbraw/zinc/48/33/93/1067483393.db2.gz SZIPGGGTNHZJHG-HNNXBMFYSA-N 0 3 323.400 2.417 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCCNCc1snnc1C ZINC001483489694 1078566487 /nfs/dbraw/zinc/56/64/87/1078566487.db2.gz IHNKMKFCIGOHLO-OAHLLOKOSA-N 0 3 310.467 2.387 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(CCC)on2)C1 ZINC001267113177 1078590554 /nfs/dbraw/zinc/59/05/54/1078590554.db2.gz FVZYDCZOTMUTNX-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1CC ZINC001483612162 1078626483 /nfs/dbraw/zinc/62/64/83/1078626483.db2.gz FTTFHANQBLEZIQ-GDBMZVCRSA-N 0 3 300.402 2.246 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1nccc2cccnc21 ZINC001570533190 1067989589 /nfs/dbraw/zinc/98/95/89/1067989589.db2.gz VWOWPHUOQAYIDE-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(OC)cc(OC)c1 ZINC001570544889 1067997321 /nfs/dbraw/zinc/99/73/21/1067997321.db2.gz GNMJNIGZFDQAOI-HNNXBMFYSA-N 0 3 318.417 2.426 20 30 DEEDHN C#CCCCC(=O)N(C)C1CCC(NCc2nccn2C)CC1 ZINC001329228699 1148876134 /nfs/dbraw/zinc/87/61/34/1148876134.db2.gz FYBKPSCDMAIJHP-UHFFFAOYSA-N 0 3 316.449 2.083 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)N(C)Cc1cccc(OC)c1 ZINC001570710006 1068084625 /nfs/dbraw/zinc/08/46/25/1068084625.db2.gz ZRBVVRHELFFMNJ-OAHLLOKOSA-N 0 3 302.418 2.435 20 30 DEEDHN CN(C)CC#CCNc1ncnc2ccc(Br)cc21 ZINC001640254879 1078651099 /nfs/dbraw/zinc/65/10/99/1078651099.db2.gz NVIQVPOHSCKQHU-UHFFFAOYSA-N 0 3 319.206 2.369 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)c1ccccc1 ZINC001570808005 1068122156 /nfs/dbraw/zinc/12/21/56/1068122156.db2.gz XFBZBQUXNLPZFJ-KRWDZBQOSA-N 0 3 302.418 2.215 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C2(CCOCC)CCC2)C1 ZINC001570841864 1068137768 /nfs/dbraw/zinc/13/77/68/1068137768.db2.gz VERRZJUEDYIDJV-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)CC2CC(C)(C)C2)C1 ZINC001570852549 1068140310 /nfs/dbraw/zinc/14/03/10/1068140310.db2.gz YBMUWQKAECOLND-CQSZACIVSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2cc(C)ccc2F)C1 ZINC001570860435 1068142309 /nfs/dbraw/zinc/14/23/09/1068142309.db2.gz UBNKRKFULWTVIV-AWEZNQCLSA-N 0 3 302.393 2.136 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001510746312 1068189220 /nfs/dbraw/zinc/18/92/20/1068189220.db2.gz MSUNNYDYHBTRCB-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cnc2n[nH]cc2c1 ZINC001571273794 1068207765 /nfs/dbraw/zinc/20/77/65/1068207765.db2.gz FOSZRFNDRJPDHA-LLVKDONJSA-N 0 3 321.812 2.199 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)CCc1ccccc1 ZINC001267220749 1078675606 /nfs/dbraw/zinc/67/56/06/1078675606.db2.gz FKWGZTIYZATIGT-ROUUACIJSA-N 0 3 316.445 2.258 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(C)(C)F)NCC#Cc1ccc(F)cc1 ZINC001571374494 1068257099 /nfs/dbraw/zinc/25/70/99/1068257099.db2.gz CHZMJPZMWGRQPS-ZDUSSCGKSA-N 0 3 308.372 2.362 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C=C1CCCCC1 ZINC001571378836 1068260604 /nfs/dbraw/zinc/26/06/04/1068260604.db2.gz LRCOWBFEGTVQOI-LSDHHAIUSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)NCC(=O)N1CCCCC1 ZINC001571405023 1068278408 /nfs/dbraw/zinc/27/84/08/1068278408.db2.gz XVFYOHULWCNTMN-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NCc1c(C)cccc1C ZINC001571436477 1068292192 /nfs/dbraw/zinc/29/21/92/1068292192.db2.gz AZZXPQFKXYODBI-INIZCTEOSA-N 0 3 318.461 2.472 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C1=COCCC1 ZINC001571452548 1068299205 /nfs/dbraw/zinc/29/92/05/1068299205.db2.gz OMUXJMAMNBBKGX-QFBILLFUSA-N 0 3 324.424 2.311 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001571480178 1068334316 /nfs/dbraw/zinc/33/43/16/1068334316.db2.gz ANLIQYROTGZRDW-CABCVRRESA-N 0 3 324.428 2.098 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(F)c2F)C1 ZINC001571488046 1068343405 /nfs/dbraw/zinc/34/34/05/1068343405.db2.gz ZBZLUTGVLQHDAE-GXTWGEPZSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2cccc(F)c2F)C1 ZINC001571494896 1068353300 /nfs/dbraw/zinc/35/33/00/1068353300.db2.gz JYUAYZJVVOCUNU-UKRRQHHQSA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2ccsc2)C[C@H]1C ZINC001571496064 1068354602 /nfs/dbraw/zinc/35/46/02/1068354602.db2.gz YYBRDGJTTSKYCA-UKRRQHHQSA-N 0 3 308.447 2.420 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)OCC(C)C)CCC[C@@H]12 ZINC001571497080 1068354889 /nfs/dbraw/zinc/35/48/89/1068354889.db2.gz MAFXWQZOZBPKFG-JFIYKMOQSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2ccccc2)[C@@H]1C ZINC001571520601 1068387519 /nfs/dbraw/zinc/38/75/19/1068387519.db2.gz HYWXQHOGNQSGHF-FUHWJXTLSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001571558992 1068419792 /nfs/dbraw/zinc/41/97/92/1068419792.db2.gz VMCPNQKSCZAHRD-HNNXBMFYSA-N 0 3 306.450 2.065 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC001571562431 1068421118 /nfs/dbraw/zinc/42/11/18/1068421118.db2.gz OYALJUYIVNNHKT-GOEBONIOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC001571562433 1068421262 /nfs/dbraw/zinc/42/12/62/1068421262.db2.gz OYALJUYIVNNHKT-ZBFHGGJFSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](O)CNCc1cc(C)ccc1F ZINC001571576937 1068427250 /nfs/dbraw/zinc/42/72/50/1068427250.db2.gz ZUMZYPIVJRQSOF-OAHLLOKOSA-N 0 3 308.397 2.009 20 30 DEEDHN C#CCCN(CCNC(=O)c1cscc1Cl)CCOC ZINC001571640900 1068455633 /nfs/dbraw/zinc/45/56/33/1068455633.db2.gz KSJYIEKXJJBNLD-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)C[C@@](C)(O)C=C)c(F)c1 ZINC001571701978 1068491623 /nfs/dbraw/zinc/49/16/23/1068491623.db2.gz DEJPISPQHIIMQZ-KRWDZBQOSA-N 0 3 306.381 2.045 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001483645783 1078740069 /nfs/dbraw/zinc/74/00/69/1078740069.db2.gz PXYWUKQOUCPHDM-AEFFLSMTSA-N 0 3 308.466 2.474 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCOc2cccc(C)c2)C1 ZINC001267305085 1078751617 /nfs/dbraw/zinc/75/16/17/1078751617.db2.gz GXJFJGVEKWWSNJ-QGZVFWFLSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CCCC(C)(C)C ZINC001483657291 1078758095 /nfs/dbraw/zinc/75/80/95/1078758095.db2.gz GPRVHGWFYLQRGZ-SJORKVTESA-N 0 3 319.493 2.101 20 30 DEEDHN C=CCN(CCNC(=O)C1(c2ccccc2OC)CC1)C1CC1 ZINC001267338136 1078776079 /nfs/dbraw/zinc/77/60/79/1078776079.db2.gz QVFKDNHGCWMGJY-UHFFFAOYSA-N 0 3 314.429 2.493 20 30 DEEDHN C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1(F)F ZINC001514947663 1068815950 /nfs/dbraw/zinc/81/59/50/1068815950.db2.gz ITBQSJDOPNBWBW-RTXFEEFZSA-N 0 3 306.312 2.255 20 30 DEEDHN CC(C)CO[C@@H](C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267351295 1078785198 /nfs/dbraw/zinc/78/51/98/1078785198.db2.gz DUPKFTUVXGFPBL-HNNXBMFYSA-N 0 3 317.433 2.167 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC001515358304 1068871303 /nfs/dbraw/zinc/87/13/03/1068871303.db2.gz KCPCRYGUXYGSTJ-LBLXLQPISA-N 0 3 316.744 2.212 20 30 DEEDHN CCO[C@@H](C(=O)N(C)CCNCc1cccc(C#N)c1)C(C)C ZINC001267372852 1078802297 /nfs/dbraw/zinc/80/22/97/1078802297.db2.gz ZNBHIJMRNUHFOU-QGZVFWFLSA-N 0 3 317.433 2.167 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCCOC1CCOCC1 ZINC001517046340 1068951052 /nfs/dbraw/zinc/95/10/52/1068951052.db2.gz NADOXNMCVPPVBS-CQSZACIVSA-N 0 3 305.378 2.055 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1nonc1C)c1ccccc1 ZINC001267382798 1078816658 /nfs/dbraw/zinc/81/66/58/1078816658.db2.gz USOQRWYJAPPJSC-AWEZNQCLSA-N 0 3 300.362 2.015 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)[C@H](CC)N(C)C)[C@H]1CC ZINC001573313111 1068985346 /nfs/dbraw/zinc/98/53/46/1068985346.db2.gz YBWGBUSBKPDMLY-XHSDSOJGSA-N 0 3 323.481 2.179 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2cncc(F)c2)cc1 ZINC001267412214 1078833683 /nfs/dbraw/zinc/83/36/83/1078833683.db2.gz UGWCBWRIAIRYQL-UHFFFAOYSA-N 0 3 311.360 2.064 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CCNCc2snnc2C)C1 ZINC001272375633 1078839750 /nfs/dbraw/zinc/83/97/50/1078839750.db2.gz GVJHTCUKLSXEIY-ZDUSSCGKSA-N 0 3 308.451 2.141 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CCNCc2cnc(C)cn2)C1 ZINC001272377451 1078840846 /nfs/dbraw/zinc/84/08/46/1078840846.db2.gz WPPWMDKKMZPBKD-HNNXBMFYSA-N 0 3 302.422 2.079 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C(=O)OC ZINC001644822435 1078863762 /nfs/dbraw/zinc/86/37/62/1078863762.db2.gz DQWWTOMXYWRNJS-HUUCEWRRSA-N 0 3 310.438 2.121 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc3n(n2)CCC3)C[C@H]1C ZINC001671217149 1078862297 /nfs/dbraw/zinc/86/22/97/1078862297.db2.gz IIWZFEFGLRCRLZ-CABCVRRESA-N 0 3 316.449 2.265 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001267455298 1078863645 /nfs/dbraw/zinc/86/36/45/1078863645.db2.gz XTMJFSPNINBVAU-SJLPKXTDSA-N 0 3 308.466 2.427 20 30 DEEDHN C=C[C@H](C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1)c1ccccc1 ZINC001521286418 1069226737 /nfs/dbraw/zinc/22/67/37/1069226737.db2.gz KOCYQTQXXAXVMO-XHSDSOJGSA-N 0 3 304.459 2.460 20 30 DEEDHN C#Cc1cccc(N(CC)C(=O)c2cc3n(n2)CCC[C@@H]3N)c1 ZINC001574766077 1069259495 /nfs/dbraw/zinc/25/94/95/1069259495.db2.gz NAAHBBLNMLJODX-HNNXBMFYSA-N 0 3 308.385 2.325 20 30 DEEDHN C#Cc1cccc(N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)c1 ZINC001574765770 1069259924 /nfs/dbraw/zinc/25/99/24/1069259924.db2.gz JUQINKPKRAVPJY-IBGZPJMESA-N 0 3 321.424 2.090 20 30 DEEDHN C=C(C)[C@@H](CC(=O)Nc1ccc2c(c1)OCCNC2)OCC ZINC001574832146 1069272647 /nfs/dbraw/zinc/27/26/47/1069272647.db2.gz YVUFIDVJAVFSJD-OAHLLOKOSA-N 0 3 304.390 2.478 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC001574908420 1069294325 /nfs/dbraw/zinc/29/43/25/1069294325.db2.gz NDCQVMOEROLDFV-ZIAGYGMSSA-N 0 3 304.390 2.016 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1c(C)nc2sc(C)cn21 ZINC001574908097 1069295237 /nfs/dbraw/zinc/29/52/37/1069295237.db2.gz CYRBHOSTTOCSJS-GFCCVEGCSA-N 0 3 306.435 2.312 20 30 DEEDHN C=CCNC(=O)c1ccccc1NC(=O)c1cccc2c1CNC2 ZINC001574943458 1069302722 /nfs/dbraw/zinc/30/27/22/1069302722.db2.gz NSHAYZAGLMJDKD-UHFFFAOYSA-N 0 3 321.380 2.458 20 30 DEEDHN C=CCCCC(=O)N1CCC([C@H](C)NCc2ccn(C)n2)CC1 ZINC001267490347 1078915178 /nfs/dbraw/zinc/91/51/78/1078915178.db2.gz LLEBEXKTNZOWOL-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)Cc2csc(C)n2)C1 ZINC001267496528 1078921877 /nfs/dbraw/zinc/92/18/77/1078921877.db2.gz VKFKDRHNDUMUKQ-INIZCTEOSA-N 0 3 319.474 2.330 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ccncc1F)c1ccccc1 ZINC001267517814 1078946251 /nfs/dbraw/zinc/94/62/51/1078946251.db2.gz TWLSTXJWGJZWSH-KRWDZBQOSA-N 0 3 311.360 2.305 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNCC(=C)Cl)C1 ZINC001272565467 1078964787 /nfs/dbraw/zinc/96/47/87/1078964787.db2.gz MKFZNKVJDQRQBJ-ZNMIVQPWSA-N 0 3 312.841 2.158 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccns3)CC2)cc1 ZINC001483738331 1078966789 /nfs/dbraw/zinc/96/67/89/1078966789.db2.gz BLMOGGINFVYKGG-UHFFFAOYSA-N 0 3 312.398 2.067 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001267545476 1078976166 /nfs/dbraw/zinc/97/61/66/1078976166.db2.gz TZAUEQCINCAYEX-BRWVUGGUSA-N 0 3 320.477 2.147 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccccc3OC)CC2)C1=O ZINC001272600135 1078999326 /nfs/dbraw/zinc/99/93/26/1078999326.db2.gz AQXSCEYIGOULBM-UHFFFAOYSA-N 0 3 312.413 2.143 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1OC ZINC001272601489 1079001436 /nfs/dbraw/zinc/00/14/36/1079001436.db2.gz SGGZQOSMICCKKY-HZPDHXFCSA-N 0 3 300.402 2.447 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(O)c(C)c1 ZINC001272614201 1079014637 /nfs/dbraw/zinc/01/46/37/1079014637.db2.gz UFZDTPPIIDPFEB-LJQANCHMSA-N 0 3 312.413 2.291 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(CC)[C@@H](C)c1cccc(F)c1 ZINC001480974603 1079019137 /nfs/dbraw/zinc/01/91/37/1079019137.db2.gz PPYWXMYLZOOXPK-GJZGRUSLSA-N 0 3 320.408 2.363 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc(C#N)c3)CC2)C1=O ZINC001272645597 1079039129 /nfs/dbraw/zinc/03/91/29/1079039129.db2.gz FRUBTAWYNZSVIE-UHFFFAOYSA-N 0 3 307.397 2.006 20 30 DEEDHN N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc[nH]c1 ZINC001272645100 1079039748 /nfs/dbraw/zinc/03/97/48/1079039748.db2.gz XRPQJTRUVAINBV-QGZVFWFLSA-N 0 3 300.406 2.275 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CSCC#N ZINC001272661980 1079071044 /nfs/dbraw/zinc/07/10/44/1079071044.db2.gz HWWCDTYJOMTGNQ-UHFFFAOYSA-N 0 3 315.442 2.015 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@H](CNC/C=C\Cl)C1 ZINC001649455562 1079127266 /nfs/dbraw/zinc/12/72/66/1079127266.db2.gz DPGWVUXTVWZKDG-CFHLNLSMSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC(CN(C)CCF)CC1 ZINC001267598280 1079118891 /nfs/dbraw/zinc/11/88/91/1079118891.db2.gz ZDJNONCWIDLMTD-CQSZACIVSA-N 0 3 300.418 2.108 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H](C)NCc2cc(OC)no2)CC1 ZINC001649444925 1079122013 /nfs/dbraw/zinc/12/20/13/1079122013.db2.gz VNZYBGIVFHOMRM-ZDUSSCGKSA-N 0 3 321.421 2.414 20 30 DEEDHN CC#CCNC1(CNC(=O)c2[nH]c3ccccc3c2OC)CC1 ZINC001483795162 1079125688 /nfs/dbraw/zinc/12/56/88/1079125688.db2.gz UXHCCAWJDYBMBT-UHFFFAOYSA-N 0 3 311.385 2.052 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001481062772 1079144600 /nfs/dbraw/zinc/14/46/00/1079144600.db2.gz GBBRMBCFJKESOV-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN COc1ccc(CN2CC[C@@H](CNC(=O)C#CC(C)C)C2)cc1 ZINC001481087222 1079169536 /nfs/dbraw/zinc/16/95/36/1079169536.db2.gz OZIVVGJLKNONJF-KRWDZBQOSA-N 0 3 314.429 2.293 20 30 DEEDHN C#CCN(C(=O)c1ccccc1F)C1CCN(CCOC)CC1 ZINC001483978676 1079222503 /nfs/dbraw/zinc/22/25/03/1079222503.db2.gz DXZSVOHNPWEXIT-UHFFFAOYSA-N 0 3 318.392 2.012 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCc2c(C)noc2C)CC1 ZINC001483975632 1079221177 /nfs/dbraw/zinc/22/11/77/1079221177.db2.gz MCQBRWRELSIEAA-UHFFFAOYSA-N 0 3 305.422 2.381 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)COc2cc(C)cc(C)c2)C1 ZINC001481124138 1079223676 /nfs/dbraw/zinc/22/36/76/1079223676.db2.gz XBTUUVJXZMMXOX-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1ccc(CC)cn1 ZINC001481147191 1079253447 /nfs/dbraw/zinc/25/34/47/1079253447.db2.gz RYEVHTHNCDNWFW-UHFFFAOYSA-N 0 3 301.434 2.038 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)Cc2cccc(F)c2)C1 ZINC001484068253 1079282185 /nfs/dbraw/zinc/28/21/85/1079282185.db2.gz AYDACNOOHHYPNA-SFHVURJKSA-N 0 3 320.408 2.151 20 30 DEEDHN C=CCn1cc(C(=O)N(C)C[C@H]2CCN2CCCC(C)C)nn1 ZINC001565827299 1075015721 /nfs/dbraw/zinc/01/57/21/1075015721.db2.gz ABYBJBLBCGHZFY-OAHLLOKOSA-N 0 3 319.453 2.047 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnn1CC1CCC1 ZINC001556466642 1075032661 /nfs/dbraw/zinc/03/26/61/1075032661.db2.gz HJVXZJZUSLVXFK-UHFFFAOYSA-N 0 3 304.438 2.263 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001484195433 1079352696 /nfs/dbraw/zinc/35/26/96/1079352696.db2.gz HQBVXDSRUQUSSA-NEPJUHHUSA-N 0 3 322.346 2.374 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(CCC#C)CCC1(F)F ZINC001484196071 1079352756 /nfs/dbraw/zinc/35/27/56/1079352756.db2.gz PWWJACFHYHJWOU-OAHLLOKOSA-N 0 3 310.388 2.277 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H](F)C(C)C)C1 ZINC001484199492 1079355678 /nfs/dbraw/zinc/35/56/78/1079355678.db2.gz WUBCLZZRSUCVST-STQMWFEESA-N 0 3 304.356 2.077 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](CC=C)C2)c1 ZINC001560027259 1075131095 /nfs/dbraw/zinc/13/10/95/1075131095.db2.gz XEDATBDCQBPGFA-OAHLLOKOSA-N 0 3 311.385 2.214 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2cccc(Cl)c2C)C1 ZINC001484219275 1079362491 /nfs/dbraw/zinc/36/24/91/1079362491.db2.gz AGUFRWJUAIXYFO-INIZCTEOSA-N 0 3 308.809 2.001 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nc[nH]c21 ZINC001565504022 1075181148 /nfs/dbraw/zinc/18/11/48/1075181148.db2.gz CQAGUDBUMWTDPN-CABCVRRESA-N 0 3 322.412 2.265 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001565850427 1075197419 /nfs/dbraw/zinc/19/74/19/1075197419.db2.gz KZWYKAUSOZRGSC-MBMVNNNZSA-N 0 3 319.453 2.261 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCOc2c(C)cccc2C)C1 ZINC001267681787 1079370206 /nfs/dbraw/zinc/37/02/06/1079370206.db2.gz GJODGXJKVWRBLU-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001566061486 1075221825 /nfs/dbraw/zinc/22/18/25/1075221825.db2.gz IZYZIFNPHOQJRA-UHFFFAOYSA-N 0 3 322.836 2.302 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C[C@H](C)OC ZINC001566542595 1075275614 /nfs/dbraw/zinc/27/56/14/1075275614.db2.gz NRCGTKQSLICMGE-KRWDZBQOSA-N 0 3 316.445 2.291 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccn(C(C)(C)C)n1)C1CC1 ZINC001566588455 1075290356 /nfs/dbraw/zinc/29/03/56/1075290356.db2.gz QAOUMSMZBZQCSA-UHFFFAOYSA-N 0 3 316.449 2.246 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnc(C2CC2)o1)C1CC1 ZINC001566589968 1075290851 /nfs/dbraw/zinc/29/08/51/1075290851.db2.gz PRIPMBHLMCHBHT-UHFFFAOYSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc(N2CC=CC2)c1)C1CC1 ZINC001566598919 1075293247 /nfs/dbraw/zinc/29/32/47/1075293247.db2.gz UOMBJAOWNROARQ-UHFFFAOYSA-N 0 3 323.440 2.280 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(CC(C)C)c[nH]1)C1CC1 ZINC001566600754 1075294408 /nfs/dbraw/zinc/29/44/08/1075294408.db2.gz MBNQGJUBFFOGNF-UHFFFAOYSA-N 0 3 301.434 2.431 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001566662692 1075308596 /nfs/dbraw/zinc/30/85/96/1075308596.db2.gz IAXBDGORWYEQDC-NVXWUHKLSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001566668361 1075311032 /nfs/dbraw/zinc/31/10/32/1075311032.db2.gz KDWKSQWSHNPSFY-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@H]1CCN(CCCO)C1)c1ccccc1 ZINC001566684176 1075317273 /nfs/dbraw/zinc/31/72/73/1075317273.db2.gz IQVLXWAAUBVAPX-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN CCC[C@H](C)CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001566686121 1075317826 /nfs/dbraw/zinc/31/78/26/1075317826.db2.gz PYMMHPYJMOQLGW-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC12CCN(Cc1cnn(C)c1)CC2 ZINC001566691199 1075318386 /nfs/dbraw/zinc/31/83/86/1075318386.db2.gz ICLQVQWVYQRGFT-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)CCc2nccn2C)CC1 ZINC001566700102 1075320643 /nfs/dbraw/zinc/32/06/43/1075320643.db2.gz RWLKKYCCVWCMGL-UHFFFAOYSA-N 0 3 318.465 2.242 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCOc2cccc(C)c2)C1 ZINC001566777971 1075342270 /nfs/dbraw/zinc/34/22/70/1075342270.db2.gz JKTXQZRPTDJSLE-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCOCC2CC2)C1 ZINC001566824318 1075353652 /nfs/dbraw/zinc/35/36/52/1075353652.db2.gz HIHXIMNYSANKFZ-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001566852027 1075362108 /nfs/dbraw/zinc/36/21/08/1075362108.db2.gz IQKUJSAWYBRQFC-YGSHXTJESA-N 0 3 305.426 2.013 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CNCc2cc(C)no2)C1 ZINC001566891994 1075375421 /nfs/dbraw/zinc/37/54/21/1075375421.db2.gz DQTXQZRSIDPTAJ-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001566893551 1075375847 /nfs/dbraw/zinc/37/58/47/1075375847.db2.gz JXKHVAYYFZMBQW-INIZCTEOSA-N 0 3 316.449 2.470 20 30 DEEDHN CCN1CC[C@H]2OCCN(c3cc(C)cc(F)c3C#N)[C@H]2C1 ZINC001650077838 1079397764 /nfs/dbraw/zinc/39/77/64/1079397764.db2.gz HMJGXJBQSQTMCB-DLBZAZTESA-N 0 3 303.381 2.305 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)COc1ccccc1 ZINC001566929024 1075391152 /nfs/dbraw/zinc/39/11/52/1075391152.db2.gz RSJXSARCYBPHHL-MRXNPFEDSA-N 0 3 300.402 2.059 20 30 DEEDHN N#Cc1ccc(Cl)cc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001650081552 1079401060 /nfs/dbraw/zinc/40/10/60/1079401060.db2.gz BFDLDNGXDAUIEC-LSDHHAIUSA-N 0 3 305.809 2.247 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001567002011 1075413646 /nfs/dbraw/zinc/41/36/46/1075413646.db2.gz LDDVAWLSXSNPNN-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)NCc1cc(F)c(OC)c(F)c1 ZINC001567011175 1075415112 /nfs/dbraw/zinc/41/51/12/1075415112.db2.gz DOOYBWMFBLEHBS-LBPRGKRZSA-N 0 3 324.371 2.371 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001567060449 1075425690 /nfs/dbraw/zinc/42/56/90/1075425690.db2.gz JFFUQIXDKDRCDP-HNNXBMFYSA-N 0 3 308.466 2.337 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCOc2cccc(F)c2)C1 ZINC001567193146 1075459596 /nfs/dbraw/zinc/45/95/96/1075459596.db2.gz OBLSLIVCFIOEPS-MRXNPFEDSA-N 0 3 318.392 2.151 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1CCCNC(C)=O ZINC001567241335 1075471302 /nfs/dbraw/zinc/47/13/02/1075471302.db2.gz FMNQSTCXBOXHAH-KRWDZBQOSA-N 0 3 315.417 2.448 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001567279053 1075486692 /nfs/dbraw/zinc/48/66/92/1075486692.db2.gz ITGXSSUAFGVOTA-GOSISDBHSA-N 0 3 304.434 2.179 20 30 DEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCC[C@H](F)C2)c1 ZINC001650165355 1079432041 /nfs/dbraw/zinc/43/20/41/1079432041.db2.gz ZEETZLATLRZUCN-KBPBESRZSA-N 0 3 310.394 2.202 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCOc2ccccc2)C1 ZINC001267789989 1079496728 /nfs/dbraw/zinc/49/67/28/1079496728.db2.gz LTOVROXGODHKGK-QGZVFWFLSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001581336804 1076065156 /nfs/dbraw/zinc/06/51/56/1076065156.db2.gz XSQNIEYBVSJUAY-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001581868851 1076106264 /nfs/dbraw/zinc/10/62/64/1076106264.db2.gz SIGWCGBZOITQMO-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)cc1OC ZINC001620831515 1076386501 /nfs/dbraw/zinc/38/65/01/1076386501.db2.gz WYLRMZXVHYMVAQ-CQSZACIVSA-N 0 3 316.401 2.113 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N(CCN(C)C)Cc1cccs1 ZINC001587629612 1076423452 /nfs/dbraw/zinc/42/34/52/1076423452.db2.gz GYZZTOOPQCSLQW-UHFFFAOYSA-N 0 3 324.446 2.148 20 30 DEEDHN C[C@H](CCC#N)[NH+]1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001589801276 1076517305 /nfs/dbraw/zinc/51/73/05/1076517305.db2.gz ASSGUQFXMJGGJZ-GFCCVEGCSA-N 0 3 311.393 2.133 20 30 DEEDHN C[C@H](Nc1c(C#N)cccc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC001589978226 1076542237 /nfs/dbraw/zinc/54/22/37/1076542237.db2.gz JJEXUXLWUXELNA-NSHDSACASA-N 0 3 313.409 2.127 20 30 DEEDHN C[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC001589978226 1076542239 /nfs/dbraw/zinc/54/22/39/1076542239.db2.gz JJEXUXLWUXELNA-NSHDSACASA-N 0 3 313.409 2.127 20 30 DEEDHN N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001592681489 1076951487 /nfs/dbraw/zinc/95/14/87/1076951487.db2.gz CJRPWCYAUVUDSG-GWCFXTLKSA-N 0 3 300.341 2.178 20 30 DEEDHN N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001592681489 1076951490 /nfs/dbraw/zinc/95/14/90/1076951490.db2.gz CJRPWCYAUVUDSG-GWCFXTLKSA-N 0 3 300.341 2.178 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001609050781 1077748187 /nfs/dbraw/zinc/74/81/87/1077748187.db2.gz BIZJQYVZWKEBPW-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001609050781 1077748190 /nfs/dbraw/zinc/74/81/90/1077748190.db2.gz BIZJQYVZWKEBPW-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001609050781 1077748195 /nfs/dbraw/zinc/74/81/95/1077748195.db2.gz BIZJQYVZWKEBPW-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001609050781 1077748198 /nfs/dbraw/zinc/74/81/98/1077748198.db2.gz BIZJQYVZWKEBPW-UHFFFAOYSA-N 0 3 320.422 2.155 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001267816910 1079512874 /nfs/dbraw/zinc/51/28/74/1079512874.db2.gz SQNDPSOMNMLKLM-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001484320669 1079537018 /nfs/dbraw/zinc/53/70/18/1079537018.db2.gz QRVOBXABKWQSDN-ULQDDVLXSA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](CCC)OC)C2)CC1 ZINC001484324699 1079539897 /nfs/dbraw/zinc/53/98/97/1079539897.db2.gz QTSZCNHXHXFJKY-MSOLQXFVSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CC[NH2+]C[C@@]1(NC(=O)c2cn[n-]n2)CCCC[C@H]1C ZINC001267869863 1079556585 /nfs/dbraw/zinc/55/65/85/1079556585.db2.gz HGQGTCUTHVYXOA-CJNGLKHVSA-N 0 3 305.426 2.039 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2cncnc2C)cc1 ZINC001484559431 1079659985 /nfs/dbraw/zinc/65/99/85/1079659985.db2.gz IYCOEGZTPWDGDN-CQSZACIVSA-N 0 3 322.412 2.389 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@]2(C)CCCOC2)cc1 ZINC001484563499 1079662809 /nfs/dbraw/zinc/66/28/09/1079662809.db2.gz PBNLSEQOWKUBDP-BEFAXECRSA-N 0 3 314.429 2.403 20 30 DEEDHN C=C(C)CN1CCc2c(CNC(=O)Cc3ncc[nH]3)cccc2C1 ZINC001484612511 1079680447 /nfs/dbraw/zinc/68/04/47/1079680447.db2.gz FRXDIVHXZYORDJ-UHFFFAOYSA-N 0 3 324.428 2.203 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNCc1cnc(C)cn1 ZINC001268001457 1079683397 /nfs/dbraw/zinc/68/33/97/1079683397.db2.gz CHDUACKEBRCMEN-DYVFJYSZSA-N 0 3 304.438 2.229 20 30 DEEDHN Cc1nn(C)c(C)c1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001650517339 1079685419 /nfs/dbraw/zinc/68/54/19/1079685419.db2.gz AAZLKTRSAHIRHV-GFCCVEGCSA-N 0 3 304.300 2.129 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)N(CC)CC ZINC001484614466 1079687291 /nfs/dbraw/zinc/68/72/91/1079687291.db2.gz ZYIOWCTYUNEWRN-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CCO[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001484625402 1079687604 /nfs/dbraw/zinc/68/76/04/1079687604.db2.gz CGQKWBBIQFIIQA-LBPRGKRZSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N[C@@H](C)CC ZINC001484616166 1079688381 /nfs/dbraw/zinc/68/83/81/1079688381.db2.gz XOJICPFHJKYTBV-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001484632125 1079699021 /nfs/dbraw/zinc/69/90/21/1079699021.db2.gz NBRCLGLECOGYFB-KRWDZBQOSA-N 0 3 320.408 2.281 20 30 DEEDHN C#CCNC1(CNC(=O)c2sc(Cl)nc2Cl)CCC1 ZINC001484663984 1079717612 /nfs/dbraw/zinc/71/76/12/1079717612.db2.gz MEVJZUMIVCOCNW-UHFFFAOYSA-N 0 3 318.229 2.325 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N2CCN(CC(C)C)CC2)C1 ZINC001484705807 1079731606 /nfs/dbraw/zinc/73/16/06/1079731606.db2.gz YGZUVPOXUWZVBR-QGZVFWFLSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@H]1CCOC1 ZINC001481376527 1079766879 /nfs/dbraw/zinc/76/68/79/1079766879.db2.gz JEZYVJUONSVQAI-YESZJQIVSA-N 0 3 306.450 2.445 20 30 DEEDHN N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCCCF)c[nH]1 ZINC001481378110 1079767610 /nfs/dbraw/zinc/76/76/10/1079767610.db2.gz NRIZGEKVAHVTQB-IYBDPMFKSA-N 0 3 318.396 2.315 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C[C@@H](F)CC ZINC001484758596 1079786317 /nfs/dbraw/zinc/78/63/17/1079786317.db2.gz IBCNQAZXPOEZDY-ZNMIVQPWSA-N 0 3 300.418 2.106 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)Cc2c[nH]cn2)C1 ZINC001481408344 1079797569 /nfs/dbraw/zinc/79/75/69/1079797569.db2.gz PQNGZHYXEMEUBC-CQSZACIVSA-N 0 3 310.829 2.018 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001484826498 1079806910 /nfs/dbraw/zinc/80/69/10/1079806910.db2.gz AUBUITXJZWEFTD-XNHCWWPPSA-N 0 3 324.852 2.092 20 30 DEEDHN CC/C=C(/C)C(=O)N1CCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001484826224 1079807491 /nfs/dbraw/zinc/80/74/91/1079807491.db2.gz XPEMKIJTPCMYJU-IABUVPNTSA-N 0 3 318.461 2.307 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@H](C)[C@@H](C)CC)CC2)C1 ZINC001484945630 1079876844 /nfs/dbraw/zinc/87/68/44/1079876844.db2.gz DKOWRWUDFMPECQ-DLBZAZTESA-N 0 3 321.509 2.463 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC001484946030 1079877792 /nfs/dbraw/zinc/87/77/92/1079877792.db2.gz ICEPLHCKJMQNGO-QGZVFWFLSA-N 0 3 321.509 2.463 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccc(C)cc2)C[C@H]1C ZINC001484985755 1079898496 /nfs/dbraw/zinc/89/84/96/1079898496.db2.gz KLQMOFSPHJKFGJ-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C=C(CC)CC)CC1 ZINC001481467963 1079921479 /nfs/dbraw/zinc/92/14/79/1079921479.db2.gz VFRUUCNJNZDADN-UHFFFAOYSA-N 0 3 307.482 2.385 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001481471034 1079924973 /nfs/dbraw/zinc/92/49/73/1079924973.db2.gz KEFCVFONHPOYNO-MSOLQXFVSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001481472491 1079926307 /nfs/dbraw/zinc/92/63/07/1079926307.db2.gz PHBREUCWHQTUMA-IEBWSBKVSA-N 0 3 321.509 2.321 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001481480234 1079935540 /nfs/dbraw/zinc/93/55/40/1079935540.db2.gz SBGAYMGAMYQKCS-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC001485071693 1079956110 /nfs/dbraw/zinc/95/61/10/1079956110.db2.gz VLQYFJLDMITODZ-AWEZNQCLSA-N 0 3 300.406 2.076 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001485077139 1079962251 /nfs/dbraw/zinc/96/22/51/1079962251.db2.gz YDSNFOOFFCILTJ-CABCVRRESA-N 0 3 316.449 2.188 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CC(CNCc2csnc2OC)C1 ZINC001485099853 1079973494 /nfs/dbraw/zinc/97/34/94/1079973494.db2.gz KTJWHBILLYGYRN-UHFFFAOYSA-N 0 3 323.462 2.348 20 30 DEEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001268053700 1079976788 /nfs/dbraw/zinc/97/67/88/1079976788.db2.gz HFUCCTQNOHKHLB-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CN(C)CC(=O)NC(C)C)CC1 ZINC001481514754 1079982062 /nfs/dbraw/zinc/98/20/62/1079982062.db2.gz MSRAHILVSXZWFR-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](NC(=O)CSCC#N)[C@H](C)NCc1ccccc1F ZINC001485124484 1080003302 /nfs/dbraw/zinc/00/33/02/1080003302.db2.gz LESOAAYEFHTICP-NWDGAFQWSA-N 0 3 309.410 2.065 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)Cc1ccoc1 ZINC001485137784 1080022971 /nfs/dbraw/zinc/02/29/71/1080022971.db2.gz MXOQJSVGSKBWAQ-HZPDHXFCSA-N 0 3 310.397 2.357 20 30 DEEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001268079621 1080031460 /nfs/dbraw/zinc/03/14/60/1080031460.db2.gz CXJXIDWIWVPWPU-AWEZNQCLSA-N 0 3 319.453 2.058 20 30 DEEDHN CC(=O)Nc1cccc(CNCCNc2ncccc2C#N)c1 ZINC001648933436 1080038071 /nfs/dbraw/zinc/03/80/71/1080038071.db2.gz VIJDKEDDNCCCTM-UHFFFAOYSA-N 0 3 309.373 2.113 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001268099485 1080071665 /nfs/dbraw/zinc/07/16/65/1080071665.db2.gz MXFGSEHQPWZJMS-SJLPKXTDSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)OCC3CC3)C2)CC1 ZINC001656394723 1080084615 /nfs/dbraw/zinc/08/46/15/1080084615.db2.gz YDRHGXRXCZZKCQ-JKSUJKDBSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2sc(C)cc2C)C1 ZINC001656774913 1080123473 /nfs/dbraw/zinc/12/34/73/1080123473.db2.gz GSWNJRDMWMNTOL-OAHLLOKOSA-N 0 3 322.474 2.450 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001656866909 1080130211 /nfs/dbraw/zinc/13/02/11/1080130211.db2.gz DBHNYYULPHMWSF-UHFFFAOYSA-N 0 3 322.836 2.302 20 30 DEEDHN COCc1cccc(CN(C)[C@H](C)CNC(=O)C#CC2CC2)c1 ZINC001485304254 1080141354 /nfs/dbraw/zinc/14/13/54/1080141354.db2.gz NVFLJDZMEVCRDL-OAHLLOKOSA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001657067177 1080152634 /nfs/dbraw/zinc/15/26/34/1080152634.db2.gz KLLIWMKIYYYDPP-HNNXBMFYSA-N 0 3 313.405 2.070 20 30 DEEDHN CC(C)C(=O)NCC1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001657173461 1080163544 /nfs/dbraw/zinc/16/35/44/1080163544.db2.gz IXVWJKMMKODCRD-UHFFFAOYSA-N 0 3 302.393 2.318 20 30 DEEDHN Cc1cc(CN[C@H](C)[C@@H]2CCCN(C(=O)C#CC(C)C)C2)on1 ZINC001268180483 1080169929 /nfs/dbraw/zinc/16/99/29/1080169929.db2.gz WVBDRCMBKAXHIX-HZPDHXFCSA-N 0 3 317.433 2.359 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001485369514 1080172984 /nfs/dbraw/zinc/17/29/84/1080172984.db2.gz WPMDWZSKAXDBQH-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN Cc1conc1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001485368815 1080173041 /nfs/dbraw/zinc/17/30/41/1080173041.db2.gz HGXVVBZFDXTZEC-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN C=CCCCN1CCC[C@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001268195063 1080182766 /nfs/dbraw/zinc/18/27/66/1080182766.db2.gz ZKEDWCAFJHJGQJ-ZDUSSCGKSA-N 0 3 321.396 2.390 20 30 DEEDHN COCC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1 ZINC001272699581 1080198889 /nfs/dbraw/zinc/19/88/89/1080198889.db2.gz CAOVOVFIDKOFTR-MPGHIAIKSA-N 0 3 314.429 2.259 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(CC)nn2C)cc1 ZINC001272700264 1080292257 /nfs/dbraw/zinc/29/22/57/1080292257.db2.gz ISIOQARTMLSTCS-AWEZNQCLSA-N 0 3 324.428 2.196 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C(F)F)CC2)C(C)(C)C1 ZINC001485569213 1080301282 /nfs/dbraw/zinc/30/12/82/1080301282.db2.gz JMBNNQXZLPNPEY-LBPRGKRZSA-N 0 3 316.392 2.061 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001660409058 1080326691 /nfs/dbraw/zinc/32/66/91/1080326691.db2.gz SNJUGYDDMVUVAY-SFHVURJKSA-N 0 3 306.450 2.211 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cncn1C ZINC001660439818 1080331780 /nfs/dbraw/zinc/33/17/80/1080331780.db2.gz LAYWJWDASUWOJN-DOTOQJQBSA-N 0 3 316.449 2.083 20 30 DEEDHN CCCC(=O)N[C@H]1C[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC001485673711 1080361829 /nfs/dbraw/zinc/36/18/29/1080361829.db2.gz XBOQMHQHPQTFAH-CTYIDZIISA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001268364048 1080376130 /nfs/dbraw/zinc/37/61/30/1080376130.db2.gz APNLCVOLQSNWPJ-GFCCVEGCSA-N 0 3 320.824 2.493 20 30 DEEDHN COCC#CCN(CCCNC(=O)C[C@H]1CC[C@H](C)C1)C1CC1 ZINC001660716327 1080385623 /nfs/dbraw/zinc/38/56/23/1080385623.db2.gz SLRDVOWPTGMETI-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN(CCCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001660738593 1080389606 /nfs/dbraw/zinc/38/96/06/1080389606.db2.gz BGFOYEKPGCCYOE-UHFFFAOYSA-N 0 3 324.440 2.279 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(CCc2scnc2C)C1 ZINC001481724697 1080390534 /nfs/dbraw/zinc/39/05/34/1080390534.db2.gz PLMODJFEMZLINA-OAHLLOKOSA-N 0 3 319.474 2.330 20 30 DEEDHN COCC#CCN(CCCNC(=O)C1CCC=CCC1)C1CC1 ZINC001660753292 1080391184 /nfs/dbraw/zinc/39/11/84/1080391184.db2.gz QIXVMFRRPHQKHK-UHFFFAOYSA-N 0 3 318.461 2.353 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN(CCC[C@@H]2CCOC2)C1 ZINC001660822884 1080403158 /nfs/dbraw/zinc/40/31/58/1080403158.db2.gz RPFMXRAUWRLLOK-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001660939235 1080417124 /nfs/dbraw/zinc/41/71/24/1080417124.db2.gz UYRDGDZTKPWVTN-DLBZAZTESA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001661028504 1080429817 /nfs/dbraw/zinc/42/98/17/1080429817.db2.gz XEUBKNWDGGTULY-GFCCVEGCSA-N 0 3 309.435 2.060 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001481750935 1080437794 /nfs/dbraw/zinc/43/77/94/1080437794.db2.gz DSSPDHAVDNRHKO-BBRMVZONSA-N 0 3 318.465 2.314 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2nonc2C)CC1 ZINC001661097391 1080441248 /nfs/dbraw/zinc/44/12/48/1080441248.db2.gz NLMTVUARLUEOAG-UHFFFAOYSA-N 0 3 306.410 2.271 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)cn1 ZINC001661240007 1080462002 /nfs/dbraw/zinc/46/20/02/1080462002.db2.gz UAQCCZJATPECEH-OAGGEKHMSA-N 0 3 314.433 2.429 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@]12C[C@H]1CCC2 ZINC001661627040 1080500597 /nfs/dbraw/zinc/50/05/97/1080500597.db2.gz IRIPJXYRDDBGFC-FTEYMNFISA-N 0 3 308.425 2.465 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001661640019 1080502161 /nfs/dbraw/zinc/50/21/61/1080502161.db2.gz BHZOGRXTINVSIZ-BBWFWOEESA-N 0 3 302.393 2.269 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001661742367 1080516727 /nfs/dbraw/zinc/51/67/27/1080516727.db2.gz BTWYFHHJONDULQ-GFCCVEGCSA-N 0 3 310.850 2.405 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001661748342 1080518344 /nfs/dbraw/zinc/51/83/44/1080518344.db2.gz PJHUJFNSEHMIRG-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001661871133 1080538644 /nfs/dbraw/zinc/53/86/44/1080538644.db2.gz LHWHTAMKAIKBGG-MRXNPFEDSA-N 0 3 312.417 2.262 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)COc2ccccc2)C1 ZINC001662008544 1080560171 /nfs/dbraw/zinc/56/01/71/1080560171.db2.gz DVPVNWDATKMSBA-SJORKVTESA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)NCc1cnn(-c2ccccc2)c1 ZINC001662207737 1080583820 /nfs/dbraw/zinc/58/38/20/1080583820.db2.gz OTPBVWDBZYZGIB-INIZCTEOSA-N 0 3 324.428 2.270 20 30 DEEDHN C=CC1(CC(=O)NC[C@H](C)NCC#CCOC)CCCCC1 ZINC001662362652 1080601179 /nfs/dbraw/zinc/60/11/79/1080601179.db2.gz XKKRUUUYWPWEMS-INIZCTEOSA-N 0 3 306.450 2.257 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c2ccccc2nn1C ZINC001272744786 1080615151 /nfs/dbraw/zinc/61/51/51/1080615151.db2.gz DNESWBKBQHUJMS-IAGOWNOFSA-N 0 3 324.428 2.325 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@](C)(CNCC(=C)Cl)C2CC2)cn1 ZINC001481947352 1080637629 /nfs/dbraw/zinc/63/76/29/1080637629.db2.gz SLXUGTMBYGMTIK-KRWDZBQOSA-N 0 3 317.820 2.304 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H](C)NCC(=C)Br ZINC001662908250 1080675539 /nfs/dbraw/zinc/67/55/39/1080675539.db2.gz FKZZITXPQLCTRK-GFCCVEGCSA-N 0 3 301.228 2.183 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001662970689 1080681363 /nfs/dbraw/zinc/68/13/63/1080681363.db2.gz KVXQRCIPCYSOLU-RDTXWAMCSA-N 0 3 318.465 2.416 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1snnc1C ZINC001662979787 1080682218 /nfs/dbraw/zinc/68/22/18/1080682218.db2.gz OVUSSSQOLHJAJJ-NSHDSACASA-N 0 3 310.467 2.433 20 30 DEEDHN COCC#CCNCc1ccc(CNC(=O)CC(C)C)cc1 ZINC001482028294 1080703621 /nfs/dbraw/zinc/70/36/21/1080703621.db2.gz ICKJUICFKLAMED-UHFFFAOYSA-N 0 3 302.418 2.088 20 30 DEEDHN COc1cc(CNC/C=C\CNC(=O)[C@@H](C)C#N)ccc1Cl ZINC001268525403 1080716272 /nfs/dbraw/zinc/71/62/72/1080716272.db2.gz XZSKSUDKVBERTA-MVZIDQBPSA-N 0 3 321.808 2.270 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CCC2CCOCC2)cc1 ZINC001482033766 1080717562 /nfs/dbraw/zinc/71/75/62/1080717562.db2.gz OLVKIMOAMAQSTM-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(C)[nH]c2=O)cc1 ZINC001482034650 1080720826 /nfs/dbraw/zinc/72/08/26/1080720826.db2.gz VPSCZPGUBOUYDL-UHFFFAOYSA-N 0 3 323.396 2.139 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1ccnc(OC2CCC2)c1 ZINC001663304174 1080730416 /nfs/dbraw/zinc/73/04/16/1080730416.db2.gz CTBHQGXIXQPIHP-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC001663327774 1080732092 /nfs/dbraw/zinc/73/20/92/1080732092.db2.gz QTQUYOCKVLTIPX-UHFFFAOYSA-N 0 3 306.406 2.250 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN2CCOC(C)C)cc1 ZINC001663512468 1080762805 /nfs/dbraw/zinc/76/28/05/1080762805.db2.gz JQXZFGYQOCKWAM-SFHVURJKSA-N 0 3 314.429 2.287 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCN(C[C@H](O)c2ccccc2F)C1 ZINC001663572265 1080777971 /nfs/dbraw/zinc/77/79/71/1080777971.db2.gz KCFURCRMESCEMT-PBHICJAKSA-N 0 3 320.408 2.263 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001663608610 1080786355 /nfs/dbraw/zinc/78/63/55/1080786355.db2.gz MPUBSCWAULKJIV-OAHLLOKOSA-N 0 3 314.404 2.319 20 30 DEEDHN CC[C@H](F)C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001268574953 1080790411 /nfs/dbraw/zinc/79/04/11/1080790411.db2.gz NZABQSXTNFRZBV-NQHOJNORSA-N 0 3 307.344 2.207 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001663638909 1080796951 /nfs/dbraw/zinc/79/69/51/1080796951.db2.gz KXZHHUMYCJWUNT-CVEARBPZSA-N 0 3 314.429 2.260 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)c1c(C)noc1C ZINC001663688130 1080803957 /nfs/dbraw/zinc/80/39/57/1080803957.db2.gz LFJXSHBXFFGARF-CYBMUJFWSA-N 0 3 305.422 2.246 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CCOc2ccccc21 ZINC001663688845 1080804382 /nfs/dbraw/zinc/80/43/82/1080804382.db2.gz UHOOQUOXGRZJLY-KRWDZBQOSA-N 0 3 314.429 2.404 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001663723324 1080808012 /nfs/dbraw/zinc/80/80/12/1080808012.db2.gz VGZFSHDNMSUJDE-INIZCTEOSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001663927557 1080838292 /nfs/dbraw/zinc/83/82/92/1080838292.db2.gz DKWCCVBQRGHFFV-CHWSQXEVSA-N 0 3 324.371 2.112 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCNCC(=O)N1CCCC[C@H]1C ZINC001663957236 1080843390 /nfs/dbraw/zinc/84/33/90/1080843390.db2.gz NDPVJCZDYPSFGA-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)CNCc2ccn(CC)n2)CC1 ZINC001482136875 1080853967 /nfs/dbraw/zinc/85/39/67/1080853967.db2.gz MFLRRDCOGGOJPU-HNNXBMFYSA-N 0 3 318.465 2.491 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCCc1ccc(OC)cc1 ZINC001664161129 1080868679 /nfs/dbraw/zinc/86/86/79/1080868679.db2.gz VRUKOYSPIVXVKO-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN Cc1cnc(CN(CCCNC(=O)C#CC(C)C)C(C)C)cn1 ZINC001664505535 1080918250 /nfs/dbraw/zinc/91/82/50/1080918250.db2.gz DSYLOENTIFZDEE-UHFFFAOYSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cccc(OC)n1)c1ccccc1 ZINC001664598098 1080930335 /nfs/dbraw/zinc/93/03/35/1080930335.db2.gz HRZXTBHWCSGHPC-KRWDZBQOSA-N 0 3 323.396 2.174 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cc1cnn(CC)c1)c1ccccc1 ZINC001664599948 1080932231 /nfs/dbraw/zinc/93/22/31/1080932231.db2.gz WUUJPLFTIGDYLC-KRWDZBQOSA-N 0 3 312.417 2.079 20 30 DEEDHN COc1ccc(CN(C)C[C@H](C)NC(=O)C#CC2CC2)cc1 ZINC001268729172 1080957663 /nfs/dbraw/zinc/95/76/63/1080957663.db2.gz DDROSIMPRKXEAY-AWEZNQCLSA-N 0 3 300.402 2.045 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ccc(F)c(F)c1 ZINC001268734732 1080960389 /nfs/dbraw/zinc/96/03/89/1080960389.db2.gz YXVAAJWFAIZDKB-LBPRGKRZSA-N 0 3 312.360 2.218 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001664993501 1080982449 /nfs/dbraw/zinc/98/24/49/1080982449.db2.gz OFHONUXKZCLYDB-IAGOWNOFSA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCCCC(=O)N(C)CCCN[C@@H](C)c1cnc(C)cn1 ZINC001268811764 1081004628 /nfs/dbraw/zinc/00/46/28/1081004628.db2.gz PZWUDWHUQPVWQD-INIZCTEOSA-N 0 3 316.449 2.478 20 30 DEEDHN CS(=O)(=O)c1ccccc1CCNCC#Cc1ccccc1 ZINC001665629444 1081051331 /nfs/dbraw/zinc/05/13/31/1081051331.db2.gz OHWHSKUHPXZGCS-UHFFFAOYSA-N 0 3 313.422 2.274 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)COc2cccc(C)c2)C1 ZINC001665741629 1081074786 /nfs/dbraw/zinc/07/47/86/1081074786.db2.gz FEKIMEYVSHHQGV-KRWDZBQOSA-N 0 3 314.429 2.320 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](CC)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001665839684 1081088981 /nfs/dbraw/zinc/08/89/81/1081088981.db2.gz QVCFKCJZAHLBQI-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)N[C@@H](C)c2n[nH]c(C)n2)CC1 ZINC001665839855 1081089446 /nfs/dbraw/zinc/08/94/46/1081089446.db2.gz SSUPVTLTFREKDV-WFASDCNBSA-N 0 3 319.453 2.405 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1cccc(OC)n1)C1CC1 ZINC001269099157 1081117600 /nfs/dbraw/zinc/11/76/00/1081117600.db2.gz IGGUZSKQOVGCOW-HNNXBMFYSA-N 0 3 317.433 2.287 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2csc3cncn32)cc1 ZINC001666344281 1081145721 /nfs/dbraw/zinc/14/57/21/1081145721.db2.gz HGFOLRHDAVGHKZ-UHFFFAOYSA-N 0 3 324.409 2.049 20 30 DEEDHN 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ZINC001482911971 1082558238 /nfs/dbraw/zinc/55/82/38/1082558238.db2.gz WSLDGNYVDAKASO-UHFFFAOYSA-N 0 3 318.402 2.168 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001482954395 1082575943 /nfs/dbraw/zinc/57/59/43/1082575943.db2.gz BNARGRPUAQARHJ-CVEARBPZSA-N 0 3 310.482 2.393 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C1(C)CCC(C)CC1 ZINC001482970516 1082586323 /nfs/dbraw/zinc/58/63/23/1082586323.db2.gz HKCPBGBYICESNK-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(OC)cccc1OC ZINC001272158703 1082609417 /nfs/dbraw/zinc/60/94/17/1082609417.db2.gz SBLXJPSKPOBBJM-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccn3ccnc23)C1 ZINC001409266067 1082670077 /nfs/dbraw/zinc/67/00/77/1082670077.db2.gz FBBWPIMJFWCGKW-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccccc1[O-] ZINC001483109718 1082715193 /nfs/dbraw/zinc/71/51/93/1082715193.db2.gz JBSNMDNPYZSLMX-CYBMUJFWSA-N 0 3 309.369 2.172 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1=CCCC1 ZINC001483120520 1082730595 /nfs/dbraw/zinc/73/05/95/1082730595.db2.gz ZLDWFGXUTPBZAY-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@H](C)NC(=O)C#CC1CC1 ZINC001483226296 1082828007 /nfs/dbraw/zinc/82/80/07/1082828007.db2.gz ORPULMVITYQWNS-LBPRGKRZSA-N 0 3 320.820 2.356 20 30 DEEDHN CCc1cccc(OCCN(C)C[C@H](C)NC(=O)[C@H](C)C#N)c1 ZINC001483320263 1083098899 /nfs/dbraw/zinc/09/88/99/1083098899.db2.gz UHPBFRJNIVZOQF-CABCVRRESA-N 0 3 317.433 2.224 20 30 DEEDHN CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1C(F)(F)F ZINC001276395475 1083373464 /nfs/dbraw/zinc/37/34/64/1083373464.db2.gz KUTGTJNBXVSHPS-KBPBESRZSA-N 0 3 323.318 2.496 20 30 DEEDHN N#Cc1ccc(C[NH+]2CC3(C2)CCN(Cc2ccc[nH]2)C3)c([O-])c1 ZINC001276493192 1083469387 /nfs/dbraw/zinc/46/93/87/1083469387.db2.gz FLIRPJOWNNCUIN-UHFFFAOYSA-N 0 3 322.412 2.300 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CCc2c(C)noc2C)C(C)(C)C1 ZINC001276623926 1083520010 /nfs/dbraw/zinc/52/00/10/1083520010.db2.gz GUCBXBATKDVEFH-INIZCTEOSA-N 0 3 317.433 2.074 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001281184623 1083543813 /nfs/dbraw/zinc/54/38/13/1083543813.db2.gz LWEIHNQRQIATDW-VQIMIIECSA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107683639 1083597528 /nfs/dbraw/zinc/59/75/28/1083597528.db2.gz RDABBXCJQGZDGS-XJKSGUPXSA-N 0 3 300.418 2.296 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685651 1083598465 /nfs/dbraw/zinc/59/84/65/1083598465.db2.gz LKMIJNSSXIOWJJ-JSGCOSHPSA-N 0 3 304.381 2.203 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107685653 1083598609 /nfs/dbraw/zinc/59/86/09/1083598609.db2.gz LKMIJNSSXIOWJJ-TZMCWYRMSA-N 0 3 304.381 2.203 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@@H](O)C1 ZINC001219385807 1083620585 /nfs/dbraw/zinc/62/05/85/1083620585.db2.gz VXEKBNULSGVEFR-PCCNWKQFSA-N 0 3 308.466 2.496 20 30 DEEDHN Cc1cc(CN2CC[C@H]3[C@@H]2CCN3c2cccc(C#N)c2)n(C)n1 ZINC001276958094 1083701109 /nfs/dbraw/zinc/70/11/09/1083701109.db2.gz FHAIPJZKJHHXOY-OALUTQOASA-N 0 3 321.428 2.453 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc(OCC)cc1 ZINC001276963431 1083704930 /nfs/dbraw/zinc/70/49/30/1083704930.db2.gz HXIFZPYUVOPWAD-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1c(C)noc1C ZINC001276969683 1083710183 /nfs/dbraw/zinc/71/01/83/1083710183.db2.gz HNKPSLRJKZYXQK-OAHLLOKOSA-N 0 3 305.422 2.381 20 30 DEEDHN C#CCSCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001127874183 1083762584 /nfs/dbraw/zinc/76/25/84/1083762584.db2.gz SGIOZFRNSAVTTA-QGZVFWFLSA-N 0 3 316.470 2.476 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001107865174 1083781806 /nfs/dbraw/zinc/78/18/06/1083781806.db2.gz SCBNIPVDPWGECE-MLGOLLRUSA-N 0 3 320.412 2.200 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC001277188927 1083837678 /nfs/dbraw/zinc/83/76/78/1083837678.db2.gz DPFXYONWUDPPJJ-ZDUSSCGKSA-N 0 3 304.821 2.390 20 30 DEEDHN C#CCNC1(CNC(=O)COc2ccccc2C(C)C)CC1 ZINC001277241033 1083864359 /nfs/dbraw/zinc/86/43/59/1083864359.db2.gz XYLOXWHYFPYJIA-UHFFFAOYSA-N 0 3 300.402 2.060 20 30 DEEDHN C[C@@]1(CNC(=O)C#CC2CC2)CN(CC2CCCCC2)CCO1 ZINC001107931857 1083906030 /nfs/dbraw/zinc/90/60/30/1083906030.db2.gz BMNMTNWAQCGJOO-LJQANCHMSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N(C)C1CCN(C(=O)CCC(C)C)CC1 ZINC001277378954 1083933032 /nfs/dbraw/zinc/93/30/32/1083933032.db2.gz HGHWXPPFSGWNFE-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CSC(C)C)C1 ZINC001490983149 1083985528 /nfs/dbraw/zinc/98/55/28/1083985528.db2.gz RLMADFJRFGMTOK-HZPDHXFCSA-N 0 3 308.491 2.464 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccncc3F)C2)C1=O ZINC001272771811 1084002741 /nfs/dbraw/zinc/00/27/41/1084002741.db2.gz MPSRCRWOFXLGQF-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN N#Cc1cccc(CCCN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)c1 ZINC001277588655 1084047699 /nfs/dbraw/zinc/04/76/99/1084047699.db2.gz CKORLACWFPZXCL-QUCCMNQESA-N 0 3 321.424 2.354 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccc(F)cn3)C2)C1=O ZINC001272801797 1084076904 /nfs/dbraw/zinc/07/69/04/1084076904.db2.gz ILRVOVUWTCLGSE-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(=O)C(C)(C)C)NCc1ccc(C#N)cc1 ZINC001277770540 1084141462 /nfs/dbraw/zinc/14/14/62/1084141462.db2.gz GLEWQHBWUWAOKI-ZDUSSCGKSA-N 0 3 315.417 2.110 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)COCCCC)C1 ZINC001670923705 1084149112 /nfs/dbraw/zinc/14/91/12/1084149112.db2.gz OIEWXDKKFYBWKV-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H](OC)C1 ZINC001212383468 1084157934 /nfs/dbraw/zinc/15/79/34/1084157934.db2.gz VIUOFJLYLYODRS-HZPDHXFCSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCNC(=O)C(C)(C)C ZINC001491219547 1084165491 /nfs/dbraw/zinc/16/54/91/1084165491.db2.gz UHWAZCDCLNXPLJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cccc(=O)[nH]1)CC2 ZINC001272809704 1084166199 /nfs/dbraw/zinc/16/61/99/1084166199.db2.gz ZPIVQZOPMUDFOA-UHFFFAOYSA-N 0 3 315.417 2.178 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCC(C)C)C1 ZINC001491281081 1084203638 /nfs/dbraw/zinc/20/36/38/1084203638.db2.gz QOCRIQDHPNMPER-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)CCC=C ZINC001671015879 1084206533 /nfs/dbraw/zinc/20/65/33/1084206533.db2.gz YXYJTTLCXDZVKI-XLAORIBOSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C=C2CCC2)CC2(CCOCC2)C1 ZINC001089932652 1084210299 /nfs/dbraw/zinc/21/02/99/1084210299.db2.gz RNWZNAPINBFHLK-INIZCTEOSA-N 0 3 304.434 2.270 20 30 DEEDHN COCC#CCN1CCC2(CCN(C(=O)CCC3CC3)C2)CC1 ZINC001671050082 1084231680 /nfs/dbraw/zinc/23/16/80/1084231680.db2.gz IWWUOKBRHLVEEF-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cnc(C)cn3)CC2)C1=O ZINC001272815850 1084242880 /nfs/dbraw/zinc/24/28/80/1084242880.db2.gz SYDZVLOKWMPUEW-GOSISDBHSA-N 0 3 314.433 2.176 20 30 DEEDHN C=CCCCCC[NH2+]CCNC(=O)c1cccc2n[n-]nc21 ZINC001128054970 1084246951 /nfs/dbraw/zinc/24/69/51/1084246951.db2.gz FDZBKTFMBZYJEH-UHFFFAOYSA-N 0 3 301.394 2.024 20 30 DEEDHN N#Cc1ccccc1CNC1CCC(NC(=O)C#CC2CC2)CC1 ZINC001491351134 1084254194 /nfs/dbraw/zinc/25/41/94/1084254194.db2.gz AAVGNLFPJZAQLF-UHFFFAOYSA-N 0 3 321.424 2.489 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@@H](C)F)CCOCC1 ZINC001235160001 1084329942 /nfs/dbraw/zinc/32/99/42/1084329942.db2.gz OEXMFRALJPQLGG-CVEARBPZSA-N 0 3 324.440 2.087 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(F)c[nH]1)NCc1ccc(C#N)c(F)c1 ZINC001491532966 1084376675 /nfs/dbraw/zinc/37/66/75/1084376675.db2.gz PMMIBHREXGXZAB-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)cc2Cl)[C@@H](O)C1 ZINC001083797068 1084443331 /nfs/dbraw/zinc/44/33/31/1084443331.db2.gz JWFPWICMRHCGOX-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001078097216 1084539301 /nfs/dbraw/zinc/53/93/01/1084539301.db2.gz IEJGSDGUNNUERE-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN N#CCCCN1CCC2(CCN(Cc3ccc[nH]3)CC2)C1=O ZINC001272926684 1084662246 /nfs/dbraw/zinc/66/22/46/1084662246.db2.gz USYZPGZFAVTVAG-UHFFFAOYSA-N 0 3 300.406 2.133 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CCNC(=O)CN1CCC(C)(C)C1 ZINC001078480940 1084702905 /nfs/dbraw/zinc/70/29/05/1084702905.db2.gz DJPDQBPZSHJVAI-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)cnn2C)C12CCC2 ZINC001078704065 1084817329 /nfs/dbraw/zinc/81/73/29/1084817329.db2.gz ZXPJIYPVNTZBTE-STQMWFEESA-N 0 3 322.840 2.112 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)C(C)C)cc1C#N ZINC001485850368 1084926608 /nfs/dbraw/zinc/92/66/08/1084926608.db2.gz UGKSDOBTAXEZGG-ZDUSSCGKSA-N 0 3 303.406 2.159 20 30 DEEDHN CC(C)OCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001485852978 1084930061 /nfs/dbraw/zinc/93/00/61/1084930061.db2.gz BKFKJMBIZMRTTF-ZDUSSCGKSA-N 0 3 321.396 2.059 20 30 DEEDHN Cc1ocnc1C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001486108503 1085068972 /nfs/dbraw/zinc/06/89/72/1085068972.db2.gz TVYLMWCTJVZQNK-RHSMWYFYSA-N 0 3 323.396 2.227 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001486129941 1085079094 /nfs/dbraw/zinc/07/90/94/1085079094.db2.gz MUJMZPGCQAKORC-RHSMWYFYSA-N 0 3 309.413 2.394 20 30 DEEDHN CCCC[C@H](C)C(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001486231955 1085140006 /nfs/dbraw/zinc/14/00/06/1085140006.db2.gz RJNVIUWMPJKOSR-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(CC)n[nH]1 ZINC000960254243 1085166996 /nfs/dbraw/zinc/16/69/96/1085166996.db2.gz FMKJDIULSJBLBR-NVXWUHKLSA-N 0 3 310.401 2.144 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1nccn1CC ZINC000960264687 1085172369 /nfs/dbraw/zinc/17/23/69/1085172369.db2.gz KLEOKPVYKLDVTC-HZPDHXFCSA-N 0 3 310.401 2.074 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)nnc1C ZINC000960270164 1085174155 /nfs/dbraw/zinc/17/41/55/1085174155.db2.gz DIQYQXLMGNRUNY-QZTJIDSGSA-N 0 3 322.412 2.265 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC000960280774 1085179954 /nfs/dbraw/zinc/17/99/54/1085179954.db2.gz JQQKDCOXRCANGB-IAGOWNOFSA-N 0 3 322.412 2.070 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cnc1C ZINC000960328705 1085199639 /nfs/dbraw/zinc/19/96/39/1085199639.db2.gz CNJPIIDWUVAJTF-IEBWSBKVSA-N 0 3 324.428 2.209 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)c1cocn1 ZINC000960480897 1085306048 /nfs/dbraw/zinc/30/60/48/1085306048.db2.gz ULOFXAFNDYLZNE-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN COc1cccc(CN(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)c1 ZINC000960497691 1085310766 /nfs/dbraw/zinc/31/07/66/1085310766.db2.gz BNNQFPJPKMMHOH-GDBMZVCRSA-N 0 3 315.417 2.278 20 30 DEEDHN CC/C(C)=C/C(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001486445718 1085317304 /nfs/dbraw/zinc/31/73/04/1085317304.db2.gz KDUXMBUWWJOTTN-IYOXOMEYSA-N 0 3 306.450 2.209 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)Cn2ccnc2C)CC1 ZINC001486441954 1085326673 /nfs/dbraw/zinc/32/66/73/1085326673.db2.gz WMYYVVQXYQMGKI-CYBMUJFWSA-N 0 3 324.856 2.161 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2csc(C3CC3)n2)CC1 ZINC001486517963 1085391839 /nfs/dbraw/zinc/39/18/39/1085391839.db2.gz XMYLNLOVSVLBIJ-UHFFFAOYSA-N 0 3 317.458 2.497 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001486556162 1085429584 /nfs/dbraw/zinc/42/95/84/1085429584.db2.gz VTCFFUYCPJHMNY-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccn(CC)n1)C2 ZINC000965346439 1085593414 /nfs/dbraw/zinc/59/34/14/1085593414.db2.gz GKBWNCQWCUILEH-UHFFFAOYSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H]1C[C@]13CCOC3)C2 ZINC000965747425 1085639591 /nfs/dbraw/zinc/63/95/91/1085639591.db2.gz CZCODRORCLPAJY-DSLQFVHVSA-N 0 3 324.852 2.183 20 30 DEEDHN Cc1noc(C)c1CNC[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001272961109 1085666040 /nfs/dbraw/zinc/66/60/40/1085666040.db2.gz UOTRUBZRUSWUCS-MRXNPFEDSA-N 0 3 317.433 2.422 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cccc(Cl)n3)C2)C1=O ZINC001272962293 1085676418 /nfs/dbraw/zinc/67/64/18/1085676418.db2.gz NCEYXSUWJPEIFE-INIZCTEOSA-N 0 3 305.809 2.345 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000961418939 1085726880 /nfs/dbraw/zinc/72/68/80/1085726880.db2.gz PCZVIXMEXRZRDU-FVQHAEBGSA-N 0 3 314.404 2.480 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(Cc3ccc(C)cc3)C2)OCC1=O ZINC001272970792 1085728808 /nfs/dbraw/zinc/72/88/08/1085728808.db2.gz ATQIQFZEEUHJNR-LJQANCHMSA-N 0 3 314.429 2.374 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC001272998525 1085860876 /nfs/dbraw/zinc/86/08/76/1085860876.db2.gz DHWNTJBPWLWNLD-HNNXBMFYSA-N 0 3 308.834 2.459 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC23CCC3)cc1 ZINC000961901215 1085904891 /nfs/dbraw/zinc/90/48/91/1085904891.db2.gz BKWPMKDWCBFFIJ-XWTMOSNGSA-N 0 3 321.424 2.295 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CN[C@@H](C)c3cnccn3)C2)C1 ZINC000962284674 1086053387 /nfs/dbraw/zinc/05/33/87/1086053387.db2.gz ZGEMKDAAZUVCEK-NFOMZHRRSA-N 0 3 314.433 2.378 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cc(C)c(O)cc2C)C1=O ZINC001273049654 1086086588 /nfs/dbraw/zinc/08/65/88/1086086588.db2.gz YWVAQWIJFVXKEY-IBGZPJMESA-N 0 3 312.413 2.209 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108078369 1086144868 /nfs/dbraw/zinc/14/48/68/1086144868.db2.gz OUDNVELHUNSURC-CXAGYDPISA-N 0 3 323.412 2.329 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCNCc1ccc(C)nc1C)OCC ZINC001128528278 1086183124 /nfs/dbraw/zinc/18/31/24/1086183124.db2.gz KZESDWHICZBJJB-KRWDZBQOSA-N 0 3 319.449 2.276 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(OCC2CC2)cc1 ZINC000962613510 1086185645 /nfs/dbraw/zinc/18/56/45/1086185645.db2.gz FVTWGNGZKPFZHP-PIIMJCKOSA-N 0 3 312.413 2.321 20 30 DEEDHN CC#CCNC1(CNC(=O)c2c(C)noc2C2CC2)CCC1 ZINC001273122557 1086275252 /nfs/dbraw/zinc/27/52/52/1086275252.db2.gz UYJMPJOAJOXGOL-UHFFFAOYSA-N 0 3 301.390 2.126 20 30 DEEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)CC)C2 ZINC000963434889 1086454466 /nfs/dbraw/zinc/45/44/66/1086454466.db2.gz NOZPOBZLBCCZGQ-UHFFFAOYSA-N 0 3 301.228 2.322 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)[C@@H](O)C1 ZINC001083866280 1086577816 /nfs/dbraw/zinc/57/78/16/1086577816.db2.gz OYKONONGRABJTO-QGTPRVQTSA-N 0 3 316.445 2.090 20 30 DEEDHN CC[C@@H]1OCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001129088247 1086595267 /nfs/dbraw/zinc/59/52/67/1086595267.db2.gz XGTBANJNEHQQMS-CABCVRRESA-N 0 3 321.446 2.031 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)c1cccc(Br)c1 ZINC001118090422 1086931305 /nfs/dbraw/zinc/93/13/05/1086931305.db2.gz ICGFEDSDVLINQY-CHWSQXEVSA-N 0 3 300.196 2.273 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnc2ccccc2c1 ZINC001273177523 1087188551 /nfs/dbraw/zinc/18/85/51/1087188551.db2.gz NXLXONBSNUEAOC-RTBURBONSA-N 0 3 319.408 2.433 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3occc3c2)[C@H](O)C1 ZINC001090285149 1087219271 /nfs/dbraw/zinc/21/92/71/1087219271.db2.gz CZIRWXUGKNARBD-HZPDHXFCSA-N 0 3 314.385 2.174 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cnccc3OC)C2)C1=O ZINC001273184895 1087229719 /nfs/dbraw/zinc/22/97/19/1087229719.db2.gz KECCXUFUOHSVOA-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NC(=O)CN(CC)CC)CCC1 ZINC001063060590 1087342283 /nfs/dbraw/zinc/34/22/83/1087342283.db2.gz BCTWXLODDUUBFY-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)CN(C)CCC)CCC1 ZINC001064104529 1087548150 /nfs/dbraw/zinc/54/81/50/1087548150.db2.gz QGVUVOJTILLZRY-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001064108670 1087549302 /nfs/dbraw/zinc/54/93/02/1087549302.db2.gz BDUIBQOKUHBVOW-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)s1 ZINC001212892076 1087754419 /nfs/dbraw/zinc/75/44/19/1087754419.db2.gz HFYLQLVOHVQAET-UHFFFAOYSA-N 0 3 309.354 2.377 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3CC=CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231710 1087764876 /nfs/dbraw/zinc/76/48/76/1087764876.db2.gz YEXSXJWKKYFBSE-DLBZAZTESA-N 0 3 316.445 2.078 20 30 DEEDHN C=C(Cl)CN1CC(N(CC)C(=O)[C@H]2CCCCN2CC)C1 ZINC000957424508 1088281510 /nfs/dbraw/zinc/28/15/10/1088281510.db2.gz YSVPJCXHVNWVQG-OAHLLOKOSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001079687901 1088321570 /nfs/dbraw/zinc/32/15/70/1088321570.db2.gz YEXLJQMFMYCFAL-YUELXQCFSA-N 0 3 313.873 2.048 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001079869184 1088457908 /nfs/dbraw/zinc/45/79/08/1088457908.db2.gz BNXUVGQUMXTLSH-ZIAGYGMSSA-N 0 3 303.406 2.025 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001079949351 1088512817 /nfs/dbraw/zinc/51/28/17/1088512817.db2.gz ZAEPNGHZUOPNSZ-HUUCEWRRSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001080514863 1089013799 /nfs/dbraw/zinc/01/37/99/1089013799.db2.gz QWNFGAHBNWERCZ-RDTXWAMCSA-N 0 3 307.397 2.308 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001080574355 1089073214 /nfs/dbraw/zinc/07/32/14/1089073214.db2.gz YMRFNIHERKUTIL-VNQPRFMTSA-N 0 3 314.429 2.348 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001080621198 1089096985 /nfs/dbraw/zinc/09/69/85/1089096985.db2.gz SSNQHLWOFOTPGQ-GDBMZVCRSA-N 0 3 300.402 2.077 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccccc2C2CCC2)[C@H](O)C1 ZINC000958634962 1089110466 /nfs/dbraw/zinc/11/04/66/1089110466.db2.gz DJCPNASRHGQOFV-CRAIPNDOSA-N 0 3 314.429 2.163 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC000958654068 1089126590 /nfs/dbraw/zinc/12/65/90/1089126590.db2.gz QFFDNCMWJIBOKY-SJORKVTESA-N 0 3 316.445 2.210 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2sccc2C(C)C)C1 ZINC000958723103 1089147022 /nfs/dbraw/zinc/14/70/22/1089147022.db2.gz CVJPSBDSACVSQW-ZFWWWQNUSA-N 0 3 322.474 2.470 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001080714876 1089154201 /nfs/dbraw/zinc/15/42/01/1089154201.db2.gz VZDSATKVLORXSZ-RDTXWAMCSA-N 0 3 322.412 2.150 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(C(C)C)s2)[C@H](O)C1 ZINC000958734397 1089156132 /nfs/dbraw/zinc/15/61/32/1089156132.db2.gz ZLJTUWPAYLSQPY-CHWSQXEVSA-N 0 3 308.447 2.080 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2csc(C)c2C)[C@H](OC)C1 ZINC001081728331 1089447832 /nfs/dbraw/zinc/44/78/32/1089447832.db2.gz FMLIZHRVAZVIPK-HUUCEWRRSA-N 0 3 308.447 2.370 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)sc2C)[C@H](OC)C1 ZINC001081908708 1089537580 /nfs/dbraw/zinc/53/75/80/1089537580.db2.gz QFXZVLZUBUCBJM-HUUCEWRRSA-N 0 3 308.447 2.370 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H]2CCCC2(F)F)[C@H](OC)C1 ZINC001082061872 1089694715 /nfs/dbraw/zinc/69/47/15/1089694715.db2.gz CQJJNUJITHEYJQ-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](OC)C1 ZINC001082168346 1089742828 /nfs/dbraw/zinc/74/28/28/1089742828.db2.gz DUMCZNSRIZPQSR-HZPDHXFCSA-N 0 3 306.381 2.139 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@H](OC)C1 ZINC001082157689 1089750077 /nfs/dbraw/zinc/75/00/77/1089750077.db2.gz QPYRJFPWRXBTPA-HZPDHXFCSA-N 0 3 313.401 2.173 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)c3cccc(C)c3)[C@H]2C1 ZINC001082987938 1090134000 /nfs/dbraw/zinc/13/40/00/1090134000.db2.gz BGLSWUVCIHBZGG-ZWKOTPCHSA-N 0 3 314.429 2.486 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(CC)c(CC)c2)[C@@H](O)C1 ZINC001084139211 1090206564 /nfs/dbraw/zinc/20/65/64/1090206564.db2.gz KGJIWJRKIBDXLY-MSOLQXFVSA-N 0 3 316.445 2.162 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(C)c(C#N)c1)CC2 ZINC001273214440 1090217100 /nfs/dbraw/zinc/21/71/00/1090217100.db2.gz XUFCQAZURKTGLZ-SFHVURJKSA-N 0 3 321.424 2.218 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001098902233 1090229980 /nfs/dbraw/zinc/22/99/80/1090229980.db2.gz PMOXPTUIGUROSA-ZBEGNZNMSA-N 0 3 322.359 2.185 20 30 DEEDHN Cc1cccc(C)c1CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084235584 1090248710 /nfs/dbraw/zinc/24/87/10/1090248710.db2.gz IBCKJROGOAKJOR-JFIYKMOQSA-N 0 3 311.429 2.496 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccn(CC(C)C)n3)[C@@H]2C1 ZINC001084380794 1090281604 /nfs/dbraw/zinc/28/16/04/1090281604.db2.gz JJSDWRIFEUCNLI-NVXWUHKLSA-N 0 3 316.449 2.262 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001084546751 1090324938 /nfs/dbraw/zinc/32/49/38/1090324938.db2.gz DKKZMUNSNAGVBD-RBSFLKMASA-N 0 3 310.388 2.368 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001084553562 1090326133 /nfs/dbraw/zinc/32/61/33/1090326133.db2.gz PATAPTSCHXYSMX-RTBURBONSA-N 0 3 310.441 2.484 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ccc(OC)o3)[C@@H]2C1 ZINC001084736817 1090415647 /nfs/dbraw/zinc/41/56/47/1090415647.db2.gz DPYBSPCUUOBOMH-ZIAGYGMSSA-N 0 3 304.390 2.401 20 30 DEEDHN CCc1noc(C)c1CNC[C@@H](C1CC1)N(C)C(=O)[C@H](C)C#N ZINC001410292307 1090529172 /nfs/dbraw/zinc/52/91/72/1090529172.db2.gz GOSFJQPBMHHKMU-BZNIZROVSA-N 0 3 318.421 2.032 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@H]1O ZINC001099856217 1090553067 /nfs/dbraw/zinc/55/30/67/1090553067.db2.gz UEKLZZAFLUWCEK-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN CC(=O)CCCC(=O)N(C)C[C@H](C)NCc1cccc(C#N)c1 ZINC001410350207 1090571988 /nfs/dbraw/zinc/57/19/88/1090571988.db2.gz HBCIHCIKZBIKKC-AWEZNQCLSA-N 0 3 315.417 2.254 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)C[C@@H]21 ZINC001085030617 1090604534 /nfs/dbraw/zinc/60/45/34/1090604534.db2.gz MSYVAMRBIUQNEZ-XHSDSOJGSA-N 0 3 300.402 2.329 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc3c(cnn3C)c2)C1=O ZINC001273261476 1090634300 /nfs/dbraw/zinc/63/43/00/1090634300.db2.gz VNMZJYWMHOXGFV-LJQANCHMSA-N 0 3 324.428 2.326 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3OCc4ccccc43)C[C@@H]21 ZINC001085084535 1090635627 /nfs/dbraw/zinc/63/56/27/1090635627.db2.gz LIBFDMIWMDWTMU-AYOQOUSVSA-N 0 3 324.424 2.204 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001085146595 1090673979 /nfs/dbraw/zinc/67/39/79/1090673979.db2.gz SZIUWDIRJQFNOT-BFHYXJOUSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3c(F)cccc3OC)C2)C1=O ZINC001273322697 1091046684 /nfs/dbraw/zinc/04/66/84/1091046684.db2.gz QKHUVLURGUSODQ-GOSISDBHSA-N 0 3 318.392 2.445 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)C[C@H](C)CC)C2)CC1 ZINC001273374320 1091109265 /nfs/dbraw/zinc/10/92/65/1091109265.db2.gz JDKXFGKKMSKQPC-SJORKVTESA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001273376024 1091110342 /nfs/dbraw/zinc/11/03/42/1091110342.db2.gz URWIZJCXBNSGNG-DLBZAZTESA-N 0 3 319.493 2.217 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001273375754 1091110420 /nfs/dbraw/zinc/11/04/20/1091110420.db2.gz SOPDKVFQZYQRAP-NBEHIINDSA-N 0 3 319.493 2.383 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001273376028 1091110538 /nfs/dbraw/zinc/11/05/38/1091110538.db2.gz URWIZJCXBNSGNG-IRXDYDNUSA-N 0 3 319.493 2.217 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ncc(Cl)cc1Cl ZINC001274463073 1091257192 /nfs/dbraw/zinc/25/71/92/1091257192.db2.gz CUJYRIDXOAVRMP-PLNGDYQASA-N 0 3 312.200 2.287 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(Cl)cs3)C2)C1=O ZINC001274532095 1091288804 /nfs/dbraw/zinc/28/88/04/1091288804.db2.gz XRTUIJRNIRJZSA-OAHLLOKOSA-N 0 3 308.834 2.459 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)CCCCN2C[C@@H](O)c1ccccc1 ZINC001274561007 1091298065 /nfs/dbraw/zinc/29/80/65/1091298065.db2.gz IEAKUXGRJWFSSU-IEBWSBKVSA-N 0 3 314.429 2.363 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N2CCN(CCCC)CC2)C1 ZINC001280692227 1091304951 /nfs/dbraw/zinc/30/49/51/1091304951.db2.gz OLJKFLXDPRSFMV-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN CCCCN1CC[C@@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274579993 1091309661 /nfs/dbraw/zinc/30/96/61/1091309661.db2.gz WOSBCIJHQFFGLD-GOSISDBHSA-N 0 3 312.417 2.178 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274579127 1091309694 /nfs/dbraw/zinc/30/96/94/1091309694.db2.gz FTQUEYPVMAVPFT-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccc(C)cc3C#N)C2)C1=O ZINC001274808302 1091427964 /nfs/dbraw/zinc/42/79/64/1091427964.db2.gz WUJVISCMSVVCLI-LJQANCHMSA-N 0 3 309.413 2.477 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CCOC ZINC001274848236 1091444350 /nfs/dbraw/zinc/44/43/50/1091444350.db2.gz UJZJIAZRXWJAMN-KRWDZBQOSA-N 0 3 302.418 2.315 20 30 DEEDHN N#Cc1ccc(C(=O)N2CC3(C2)CN(C2CCCC2)C3)c(F)c1 ZINC001274856101 1091448818 /nfs/dbraw/zinc/44/88/18/1091448818.db2.gz XGAQUURDUHARAX-UHFFFAOYSA-N 0 3 313.376 2.398 20 30 DEEDHN C=CCCCCCN1C[C@@H]2[C@H](C1)OCCN2C(=O)NC(C)C ZINC001276039869 1091465888 /nfs/dbraw/zinc/46/58/88/1091465888.db2.gz DNFVRKHECMRFAV-CVEARBPZSA-N 0 3 309.454 2.236 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c(C)[nH]1 ZINC001274938259 1091483171 /nfs/dbraw/zinc/48/31/71/1091483171.db2.gz JZANVWMJCBSHKJ-OAHLLOKOSA-N 0 3 309.413 2.391 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1 ZINC001275290602 1091655052 /nfs/dbraw/zinc/65/50/52/1091655052.db2.gz SRUXGJHFPQDDSP-KDURUIRLSA-N 0 3 311.429 2.386 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001275375214 1091696559 /nfs/dbraw/zinc/69/65/59/1091696559.db2.gz GSSPWIDUNQIBOR-HUUCEWRRSA-N 0 3 320.396 2.034 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(C[C@H](C)C(F)(F)F)CC2 ZINC001273444957 1091766525 /nfs/dbraw/zinc/76/65/25/1091766525.db2.gz DPDBOXBKVKXUOS-NWDGAFQWSA-N 0 3 302.340 2.036 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@H]1CCCCO1 ZINC001276291395 1091767727 /nfs/dbraw/zinc/76/77/27/1091767727.db2.gz XKFMPHNQJGXFOI-IAGOWNOFSA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ocnc2C(F)F)CC1 ZINC000948770694 1091926966 /nfs/dbraw/zinc/92/69/66/1091926966.db2.gz KLHPRQKJWFFXET-NSHDSACASA-N 0 3 311.332 2.172 20 30 DEEDHN N#Cc1cncc(CN2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c1 ZINC001273618813 1091957781 /nfs/dbraw/zinc/95/77/81/1091957781.db2.gz BYALHPBRHTVBQN-LJQANCHMSA-N 0 3 324.428 2.320 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC001490847734 1091959544 /nfs/dbraw/zinc/95/95/44/1091959544.db2.gz HSULMWIFFFRPMH-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000948836890 1091961780 /nfs/dbraw/zinc/96/17/80/1091961780.db2.gz RBXITRBPZBMIGC-SQNIBIBYSA-N 0 3 318.461 2.304 20 30 DEEDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273633008 1091965857 /nfs/dbraw/zinc/96/58/57/1091965857.db2.gz YDUVPEFENIMUSE-KDOFPFPSSA-N 0 3 312.417 2.176 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnn(CCC)c2C)CC1 ZINC000948885517 1091981844 /nfs/dbraw/zinc/98/18/44/1091981844.db2.gz AKPPFCNVNYOHDJ-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C)CCCC1)CCO2 ZINC000949151376 1092058688 /nfs/dbraw/zinc/05/86/88/1092058688.db2.gz OYQMNFKPLXTHQE-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(CC)cc1 ZINC001275827906 1092189670 /nfs/dbraw/zinc/18/96/70/1092189670.db2.gz OSPIMABCLNGDLC-HZPDHXFCSA-N 0 3 316.445 2.224 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001275886446 1092272811 /nfs/dbraw/zinc/27/28/11/1092272811.db2.gz BEUMCKSOQMYXET-NSHDSACASA-N 0 3 302.378 2.076 20 30 DEEDHN N#CCSCC(=O)NC/C=C/CNCc1ccc(Cl)cc1 ZINC001273860252 1092433878 /nfs/dbraw/zinc/43/38/78/1092433878.db2.gz DIZIAAZCSSIUMR-OWOJBTEDSA-N 0 3 323.849 2.359 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnc(OC(F)F)c1 ZINC001297373508 1092485382 /nfs/dbraw/zinc/48/53/82/1092485382.db2.gz WMXQSHYUHFCPTK-UHFFFAOYSA-N 0 3 313.348 2.263 20 30 DEEDHN C=CCCC(=O)NC/C=C\CN[C@@H](C)C(=O)N1CCCCCC1 ZINC001273899809 1092491536 /nfs/dbraw/zinc/49/15/36/1092491536.db2.gz GPJWNYVTVHPIDZ-PTZVLDCSSA-N 0 3 321.465 2.006 20 30 DEEDHN Cc1cccnc1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001273938633 1092523355 /nfs/dbraw/zinc/52/33/55/1092523355.db2.gz JBHBOIOUJAJVND-IHWYPQMZSA-N 0 3 320.396 2.338 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001488694301 1092690925 /nfs/dbraw/zinc/69/09/25/1092690925.db2.gz UUCHPLSGZAGURS-DZGCQCFKSA-N 0 3 302.422 2.286 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC2(C[C@H]1C)CCN(CC#CCOC)CC2 ZINC001488974846 1092858535 /nfs/dbraw/zinc/85/85/35/1092858535.db2.gz KMZOUJQBAIWPIK-HZPDHXFCSA-N 0 3 324.440 2.087 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)COCC3CC3)C(C)(C)[C@H]21 ZINC001489080416 1092905292 /nfs/dbraw/zinc/90/52/92/1092905292.db2.gz FAPSGVUJSBRZFA-NJAFHUGGSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C#CC(C)(C)C ZINC001489087111 1092910224 /nfs/dbraw/zinc/91/02/24/1092910224.db2.gz PBTAAKNNRVRPJU-HYVNUMGLSA-N 0 3 300.446 2.274 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc(NC(=O)CC)c1 ZINC001490204483 1093224387 /nfs/dbraw/zinc/22/43/87/1093224387.db2.gz JWJYFUKQKMYYJR-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnc(CC2CC2)s1 ZINC001490229710 1093249361 /nfs/dbraw/zinc/24/93/61/1093249361.db2.gz KPFGARJGRXLKKI-UHFFFAOYSA-N 0 3 305.447 2.171 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001490256099 1093263550 /nfs/dbraw/zinc/26/35/50/1093263550.db2.gz LJZTYBMSNXYCTK-UHFFFAOYSA-N 0 3 311.385 2.015 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001490282854 1093275506 /nfs/dbraw/zinc/27/55/06/1093275506.db2.gz DUYDUZQNBMWNJN-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN Cc1cncc(CN2CCC3(C[C@H]3NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001490587771 1093432299 /nfs/dbraw/zinc/43/22/99/1093432299.db2.gz OCCRIMVUUXLVOY-GOEBONIOSA-N 0 3 312.417 2.020 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001490659952 1093470726 /nfs/dbraw/zinc/47/07/26/1093470726.db2.gz NOAQEACHHSTZPL-GOSISDBHSA-N 0 3 321.424 2.473 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C2CC2)C1 ZINC001490705173 1093473535 /nfs/dbraw/zinc/47/35/35/1093473535.db2.gz LLMPDXGEOKAORB-SMDDNHRTSA-N 0 3 317.437 2.015 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001274227324 1093868566 /nfs/dbraw/zinc/86/85/66/1093868566.db2.gz GQHBZYKFYLHKLC-OAZXXZECSA-N 0 3 300.377 2.215 20 30 DEEDHN Cc1nc(C)c(CN[C@H]2CCN(C(=O)C#CC(C)C)C2)s1 ZINC001480109643 1151652186 /nfs/dbraw/zinc/65/21/86/1151652186.db2.gz JXJAEKNDCMIJGW-AWEZNQCLSA-N 0 3 305.447 2.110 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC001329533517 1148915679 /nfs/dbraw/zinc/91/56/79/1148915679.db2.gz WELYFTDASOBLPU-CQSZACIVSA-N 0 3 308.397 2.387 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2csc(CC)n2)C1 ZINC001480272738 1151734246 /nfs/dbraw/zinc/73/42/46/1151734246.db2.gz ZBWVDAAGABAGQU-AWEZNQCLSA-N 0 3 319.474 2.100 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1cncnc1 ZINC001691721803 1138212296 /nfs/dbraw/zinc/21/22/96/1138212296.db2.gz NXYNXJBQNQHBTC-DOMZBBRYSA-N 0 3 322.840 2.450 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001277994250 1138390968 /nfs/dbraw/zinc/39/09/68/1138390968.db2.gz FRYHNUPRCLXSBW-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN O=C1C=C2CN(Cc3ccnc(OC(F)F)c3)CCC2S1 ZINC001237607580 1138711649 /nfs/dbraw/zinc/71/16/49/1138711649.db2.gz AJPSQJQQLOHOQM-LLVKDONJSA-N 0 3 312.341 2.457 20 30 DEEDHN CCc1[nH]ncc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC001237651968 1138738414 /nfs/dbraw/zinc/73/84/14/1138738414.db2.gz CEHVBWQZLIWWIX-UHFFFAOYSA-N 0 3 313.380 2.305 20 30 DEEDHN C=CCOc1ccccc1CNC12CC(C(=O)N(C)C)(C1)C2 ZINC001278203489 1138835292 /nfs/dbraw/zinc/83/52/92/1138835292.db2.gz QCGZNUJNUHDPSX-UHFFFAOYSA-N 0 3 300.402 2.352 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1F ZINC001238259267 1138837352 /nfs/dbraw/zinc/83/73/52/1138837352.db2.gz KLNBJPUNNVDELG-ZIAGYGMSSA-N 0 3 308.463 2.356 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)N[C@@H]1CNC[C@H]1F ZINC001238259267 1138837353 /nfs/dbraw/zinc/83/73/53/1138837353.db2.gz KLNBJPUNNVDELG-ZIAGYGMSSA-N 0 3 308.463 2.356 20 30 DEEDHN O=C(C#CC1CC1)N[C@H](CNCc1cncs1)C1CCCC1 ZINC001278240573 1138852931 /nfs/dbraw/zinc/85/29/31/1138852931.db2.gz CLUFMZNTFQEWDE-MRXNPFEDSA-N 0 3 317.458 2.321 20 30 DEEDHN CCc1cc(CN2CCN(CC(C)(C)O)CC2)ccc1C#N ZINC001238772815 1138873553 /nfs/dbraw/zinc/87/35/53/1138873553.db2.gz QUHUDWVWVOBSDT-UHFFFAOYSA-N 0 3 301.434 2.009 20 30 DEEDHN CCCCCCC[C@H](C)NC(=O)NCCCC[C@H](N)C(N)=O ZINC001239243509 1139003299 /nfs/dbraw/zinc/00/32/99/1139003299.db2.gz LPTYQHSQBNKAIP-KBPBESRZSA-N 0 3 314.474 2.018 20 30 DEEDHN Cc1n[nH]c(C)c1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240123162 1139248417 /nfs/dbraw/zinc/24/84/17/1139248417.db2.gz GECRBTZIEVUKPX-NSHDSACASA-N 0 3 313.361 2.432 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001295122914 1139338664 /nfs/dbraw/zinc/33/86/64/1139338664.db2.gz SXMZCXQXBCOQBZ-HDJSIYSDSA-N 0 3 323.481 2.082 20 30 DEEDHN COc1cc(C#N)cnc1-c1ccc(CN2CCN(C)CC2)cc1 ZINC001240390003 1139355772 /nfs/dbraw/zinc/35/57/72/1139355772.db2.gz QWAGZSUTCWUHSP-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001295488036 1139405062 /nfs/dbraw/zinc/40/50/62/1139405062.db2.gz GDQUNGIEMWZSTO-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001296435216 1139785740 /nfs/dbraw/zinc/78/57/40/1139785740.db2.gz GURQZFGGCRISHM-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCN(C(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001296609189 1139809596 /nfs/dbraw/zinc/80/95/96/1139809596.db2.gz MPBXWYUEBSCNGO-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001297326529 1139860561 /nfs/dbraw/zinc/86/05/61/1139860561.db2.gz SMPVDDHCKKVYDK-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001297377826 1139865012 /nfs/dbraw/zinc/86/50/12/1139865012.db2.gz BDAZPIBQFLLCRN-UHFFFAOYSA-N 0 3 309.341 2.314 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](CC)CCC)CC2)C1 ZINC001278350477 1140011185 /nfs/dbraw/zinc/01/11/85/1140011185.db2.gz XIQXWGXOUDGOSE-IAGOWNOFSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001298668476 1140071096 /nfs/dbraw/zinc/07/10/96/1140071096.db2.gz LGDZXLKCZBJICR-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001298839337 1140088520 /nfs/dbraw/zinc/08/85/20/1140088520.db2.gz XFASLUHNAMOGNO-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(F)cc2F)C1 ZINC001278369991 1140235471 /nfs/dbraw/zinc/23/54/71/1140235471.db2.gz BTUBNNGBWOMVCP-IUODEOHRSA-N 0 3 306.356 2.110 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NCCC(C)C)C1 ZINC001491729238 1140289187 /nfs/dbraw/zinc/28/91/87/1140289187.db2.gz JCRPXIGUQNRGPR-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001318425710 1140323956 /nfs/dbraw/zinc/32/39/56/1140323956.db2.gz VUEMSSGWIUYXOY-INIZCTEOSA-N 0 3 318.465 2.098 20 30 DEEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1c(C)nsc1C ZINC001318517290 1140357109 /nfs/dbraw/zinc/35/71/09/1140357109.db2.gz DWZUTFXKCCVKDT-CQSZACIVSA-N 0 3 307.463 2.404 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1(CNCC(=C)Cl)CCCC1 ZINC001318627144 1140374818 /nfs/dbraw/zinc/37/48/18/1140374818.db2.gz IAXRGHJKLGYRLB-AWEZNQCLSA-N 0 3 300.830 2.085 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001318968892 1140482360 /nfs/dbraw/zinc/48/23/60/1140482360.db2.gz IMWAFIJADSGWBU-JOCQHMNTSA-N 0 3 308.451 2.411 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)C2CCC3(CC3)CC2)C1 ZINC001278390808 1140490717 /nfs/dbraw/zinc/49/07/17/1140490717.db2.gz KTQYXJHPQQQGDR-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2cnc(C)nc2)CCCC1 ZINC001319350616 1140554401 /nfs/dbraw/zinc/55/44/01/1140554401.db2.gz CSNYAMXXSAJSDM-UHFFFAOYSA-N 0 3 314.433 2.107 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)CCCF ZINC001319508264 1140603493 /nfs/dbraw/zinc/60/34/93/1140603493.db2.gz AYBUFCSFTWMBFT-AWEZNQCLSA-N 0 3 308.372 2.363 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CC12CC2 ZINC001319538595 1140611918 /nfs/dbraw/zinc/61/19/18/1140611918.db2.gz UMYHDAMGORWBFZ-WMLDXEAASA-N 0 3 314.404 2.414 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnn(CCC)c1C1CC1 ZINC001320069208 1140818046 /nfs/dbraw/zinc/81/80/46/1140818046.db2.gz SOEWBOQAZISWJZ-UHFFFAOYSA-N 0 3 316.449 2.198 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCOc2ccccc2C)C1 ZINC001278422171 1140838867 /nfs/dbraw/zinc/83/88/67/1140838867.db2.gz AVYKTNZYRVPJSQ-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](O)CN[C@H](C)c1ccccc1F ZINC001320226688 1140839921 /nfs/dbraw/zinc/83/99/21/1140839921.db2.gz FNCZRUHDBYLXAQ-KGLIPLIRSA-N 0 3 308.397 2.310 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](O)CNCc1ccc(Cl)s1 ZINC001320259178 1140842371 /nfs/dbraw/zinc/84/23/71/1140842371.db2.gz PVSVSZIQTGQGEM-SNVBAGLBSA-N 0 3 316.854 2.180 20 30 DEEDHN C=C[C@H](COC)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001320294664 1140844850 /nfs/dbraw/zinc/84/48/50/1140844850.db2.gz POICEXGHLSFVSM-QGZVFWFLSA-N 0 3 317.433 2.105 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001320294990 1140845556 /nfs/dbraw/zinc/84/55/56/1140845556.db2.gz SNLZEYSWBVORRR-HOCLYGCPSA-N 0 3 305.422 2.007 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1cncs1 ZINC001320362340 1140855575 /nfs/dbraw/zinc/85/55/75/1140855575.db2.gz OAEILVVKMNWDFR-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320378732 1140857873 /nfs/dbraw/zinc/85/78/73/1140857873.db2.gz XHPDLXISXCTTCR-MRXNPFEDSA-N 0 3 320.408 2.439 20 30 DEEDHN C=CCOCCN1CC[C@@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC001278430874 1140860122 /nfs/dbraw/zinc/86/01/22/1140860122.db2.gz KCGVZCFGOKPPIV-WBVHZDCISA-N 0 3 304.390 2.209 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001320427539 1140864195 /nfs/dbraw/zinc/86/41/95/1140864195.db2.gz GDMHBCUMZMUSJJ-JKSUJKDBSA-N 0 3 305.422 2.098 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cnn2ccccc12 ZINC001320449428 1140867150 /nfs/dbraw/zinc/86/71/50/1140867150.db2.gz AWNOMARYNZGYSN-ZDUSSCGKSA-N 0 3 320.824 2.114 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1ccsn1 ZINC001320458763 1140867943 /nfs/dbraw/zinc/86/79/43/1140867943.db2.gz LSVNTRWEFMHJRY-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001278434578 1140870633 /nfs/dbraw/zinc/87/06/33/1140870633.db2.gz RRKJFMCZVLNFOB-CRAIPNDOSA-N 0 3 320.433 2.475 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001320499956 1140872320 /nfs/dbraw/zinc/87/23/20/1140872320.db2.gz LEWWFLVJQMXVDW-YUTCNCBUSA-N 0 3 300.830 2.038 20 30 DEEDHN CCN(CCNCc1c(C)nsc1C)C(=O)C#CC(C)C ZINC001320723923 1140898808 /nfs/dbraw/zinc/89/88/08/1140898808.db2.gz CBBIFJWIZWVIBM-UHFFFAOYSA-N 0 3 307.463 2.357 20 30 DEEDHN CCN(CCNCc1ccc(OC)c(C#N)c1)C(=O)[C@@H]1C[C@H]1C ZINC001320820533 1140941231 /nfs/dbraw/zinc/94/12/31/1140941231.db2.gz XWOGOIBUNZQOQM-CZUORRHYSA-N 0 3 315.417 2.161 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(CC)CCNC/C=C/Cl ZINC001320902423 1140979668 /nfs/dbraw/zinc/97/96/68/1140979668.db2.gz HINFZYVZOWPQQM-JXMROGBWSA-N 0 3 304.821 2.401 20 30 DEEDHN CC(C)=CC(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1 ZINC001320952263 1141004403 /nfs/dbraw/zinc/00/44/03/1141004403.db2.gz KBPQRMBIKDHHLR-ARJAWSKDSA-N 0 3 301.365 2.426 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001321083399 1141049970 /nfs/dbraw/zinc/04/99/70/1141049970.db2.gz JCBZKXBKBPXVBZ-ONEGZZNKSA-N 0 3 302.805 2.267 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)Cc3ccco3)CCC[C@@H]12 ZINC001278466077 1141062103 /nfs/dbraw/zinc/06/21/03/1141062103.db2.gz GCIXGSSBMPKZDV-QGPMSJSTSA-N 0 3 300.402 2.205 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1ccc(Cl)cc1F ZINC001321143570 1141064828 /nfs/dbraw/zinc/06/48/28/1141064828.db2.gz DRHXVABSKFNDLJ-IHWYPQMZSA-N 0 3 324.783 2.005 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1(C2CC2)CC1 ZINC001321550621 1141305940 /nfs/dbraw/zinc/30/59/40/1141305940.db2.gz CERRUSBBZDMDMK-CQSZACIVSA-N 0 3 314.404 2.462 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CNCc2cncc(F)c2)cc1 ZINC001321609450 1141315942 /nfs/dbraw/zinc/31/59/42/1141315942.db2.gz MVHXVCPAPQEHTF-CYBMUJFWSA-N 0 3 311.360 2.110 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@H](C)C(=O)NC1CCCCC1 ZINC001321616838 1141316720 /nfs/dbraw/zinc/31/67/20/1141316720.db2.gz HYQWERGZNUAYDO-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNCc2ccccn2)CCOCC1 ZINC001321723886 1141333894 /nfs/dbraw/zinc/33/38/94/1141333894.db2.gz RWOWWTNYWKVWDU-OAHLLOKOSA-N 0 3 317.433 2.049 20 30 DEEDHN C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)c1cocn1 ZINC001321801029 1141346773 /nfs/dbraw/zinc/34/67/73/1141346773.db2.gz NPCDHUSCXPURDD-LBPRGKRZSA-N 0 3 317.776 2.088 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)C1CCC(F)CC1 ZINC001322234858 1141480296 /nfs/dbraw/zinc/48/02/96/1141480296.db2.gz BHMYBIXPNUTIII-NFOMZHRRSA-N 0 3 300.418 2.154 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)C1CCC(F)CC1 ZINC001322234860 1141480416 /nfs/dbraw/zinc/48/04/16/1141480416.db2.gz BHMYBIXPNUTIII-WLYUNCDWSA-N 0 3 300.418 2.154 20 30 DEEDHN CC(C)OCC(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001322431107 1141581736 /nfs/dbraw/zinc/58/17/36/1141581736.db2.gz QHTYHSLNWMFULM-UHFFFAOYSA-N 0 3 321.396 2.060 20 30 DEEDHN CCCn1nc(C)c(CNCCNc2ncccc2C#N)c1C ZINC001322534437 1141623837 /nfs/dbraw/zinc/62/38/37/1141623837.db2.gz DDJNDSMUVPRWBO-UHFFFAOYSA-N 0 3 312.421 2.378 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCc2ccoc2)[C@@H]1C ZINC001278504341 1141772588 /nfs/dbraw/zinc/77/25/88/1141772588.db2.gz DCXJMMXWIWUIOZ-DOTOQJQBSA-N 0 3 320.433 2.384 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](CN[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001323004641 1141800866 /nfs/dbraw/zinc/80/08/66/1141800866.db2.gz GGXWWYRNWKTXCO-BXUZGUMPSA-N 0 3 319.453 2.261 20 30 DEEDHN Cn1cc(CNCCNc2ncccc2C#N)c(C(C)(C)C)n1 ZINC001323319720 1141841365 /nfs/dbraw/zinc/84/13/65/1141841365.db2.gz ZDDGTCRMEKLUFX-UHFFFAOYSA-N 0 3 312.421 2.186 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCOCC)C1 ZINC001323639115 1141872435 /nfs/dbraw/zinc/87/24/35/1141872435.db2.gz XGQQGLVGKXEZKM-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCOCC(C)C)C1 ZINC001323637686 1141872507 /nfs/dbraw/zinc/87/25/07/1141872507.db2.gz MMADLGYQABHWRU-MSOLQXFVSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CSCCC)C1 ZINC001323636395 1141872586 /nfs/dbraw/zinc/87/25/86/1141872586.db2.gz DGUAUFHJQINLJS-CVEARBPZSA-N 0 3 308.491 2.466 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc(OC)c(F)c3)no2)CCCN1 ZINC001249353858 1141877620 /nfs/dbraw/zinc/87/76/20/1141877620.db2.gz VWJPYWQHNLGGFE-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CCCC(C)=O)C2)CC1 ZINC001323816341 1141889264 /nfs/dbraw/zinc/88/92/64/1141889264.db2.gz OMIVPYTVBZLVRK-UHFFFAOYSA-N 0 3 304.434 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001324168655 1142021378 /nfs/dbraw/zinc/02/13/78/1142021378.db2.gz SRSZXNPPXNCTFH-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C(=O)CC[C@@H]1CCOC1)C1CCN(CC(=C)C)CC1 ZINC001324385073 1142067135 /nfs/dbraw/zinc/06/71/35/1142067135.db2.gz URNUDIOPYRMGNJ-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)C(CC)CC)CC2)C1 ZINC001324560920 1142100695 /nfs/dbraw/zinc/10/06/95/1142100695.db2.gz RVCXHJMHUFUZET-FUHWJXTLSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)C(CC)CC)CC2)C1 ZINC001324560921 1142104496 /nfs/dbraw/zinc/10/44/96/1142104496.db2.gz RVCXHJMHUFUZET-SJLPKXTDSA-N 0 3 321.509 2.463 20 30 DEEDHN CC[C@H](F)C(=O)N1CCCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001324557940 1142105540 /nfs/dbraw/zinc/10/55/40/1142105540.db2.gz WIJZANZUMNLRPP-WMZOPIPTSA-N 0 3 324.440 2.089 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC001278632270 1142393344 /nfs/dbraw/zinc/39/33/44/1142393344.db2.gz MBSMFPTYLGJOFY-ZDUSSCGKSA-N 0 3 317.433 2.246 20 30 DEEDHN Cc1ccccc1OC[C@H](O)CNCc1cc(C#N)cs1 ZINC001251747792 1142502570 /nfs/dbraw/zinc/50/25/70/1142502570.db2.gz AFQDTVLIJCRDSD-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC001278640828 1142583508 /nfs/dbraw/zinc/58/35/08/1142583508.db2.gz VSZSNPVJNFZAIQ-CQSZACIVSA-N 0 3 305.447 2.273 20 30 DEEDHN C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)C[C@H](O)CO ZINC001252062844 1142617167 /nfs/dbraw/zinc/61/71/67/1142617167.db2.gz PYUJELOJEFLNQS-BEFAXECRSA-N 0 3 310.397 2.475 20 30 DEEDHN CCCCC1(C(=O)N2C[C@@H](NCC#CCOC)C(C)(C)C2)CC1 ZINC001278666369 1142715789 /nfs/dbraw/zinc/71/57/89/1142715789.db2.gz BKGVPTUGMHCCCV-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOC[C@H](O)CNCc1c(OC)cccc1C(F)(F)F ZINC001252485083 1142732793 /nfs/dbraw/zinc/73/27/93/1142732793.db2.gz ATSAIRKGOKATJV-LLVKDONJSA-N 0 3 319.323 2.367 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(C(F)F)ncn2)C1 ZINC001278668556 1142732950 /nfs/dbraw/zinc/73/29/50/1142732950.db2.gz OUURFHBJZGKUQV-INIZCTEOSA-N 0 3 324.375 2.432 20 30 DEEDHN C=C[C@@](C)(O)CN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001252551165 1142759786 /nfs/dbraw/zinc/75/97/86/1142759786.db2.gz SYKLNEQBNFBZIK-BSDSXHPESA-N 0 3 309.450 2.362 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001278672208 1142766131 /nfs/dbraw/zinc/76/61/31/1142766131.db2.gz HQAXIRHFRZBSRI-SFHVURJKSA-N 0 3 316.449 2.217 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001252595886 1142775481 /nfs/dbraw/zinc/77/54/81/1142775481.db2.gz LFYUSZLBZQGBDH-DKIMLUQUSA-N 0 3 318.417 2.019 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001252596297 1142780032 /nfs/dbraw/zinc/78/00/32/1142780032.db2.gz QGGYZZBKAOMVDH-ZNMIVQPWSA-N 0 3 310.438 2.255 20 30 DEEDHN C=CCC[C@@H](O)CNCC(=O)CCC(=O)OCCCCCC ZINC001252619249 1142791260 /nfs/dbraw/zinc/79/12/60/1142791260.db2.gz CPOPXAZRVBLSCT-OAHLLOKOSA-N 0 3 313.438 2.376 20 30 DEEDHN N#Cc1ccc(C2(NC[C@H](O)COCc3ccco3)CC2)cc1 ZINC001252656635 1142803945 /nfs/dbraw/zinc/80/39/45/1142803945.db2.gz MPXWDTOOVHNHIS-INIZCTEOSA-N 0 3 312.369 2.308 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252943423 1142832462 /nfs/dbraw/zinc/83/24/62/1142832462.db2.gz FRLBJZIJLYRCQA-QZTJIDSGSA-N 0 3 301.434 2.151 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CC2(C1)CCN(C(C)=O)C2 ZINC001253238282 1142856272 /nfs/dbraw/zinc/85/62/72/1142856272.db2.gz BWYHXRVRFYCXOR-KRWDZBQOSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCCCCCC[C@H](O)CN[C@]1(C)CCS(=O)(=O)C1 ZINC001253250509 1142857156 /nfs/dbraw/zinc/85/71/56/1142857156.db2.gz AYAHSXZSUUDGNI-LSDHHAIUSA-N 0 3 303.468 2.041 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001338694758 1142871363 /nfs/dbraw/zinc/87/13/63/1142871363.db2.gz ZHEZYAXXLXCRPW-SOUVJXGZSA-N 0 3 321.444 2.458 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@@](C)(O)CC ZINC001339026749 1142903828 /nfs/dbraw/zinc/90/38/28/1142903828.db2.gz ZJDRZMZRNOLHRQ-VBQJREDUSA-N 0 3 321.469 2.001 20 30 DEEDHN Cc1ccc(OC[C@@H](O)CNCc2cc(C#N)cs2)cc1 ZINC001253851303 1142989870 /nfs/dbraw/zinc/98/98/70/1142989870.db2.gz QCSPCCFFZCHRFP-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C#CCN1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254310054 1143078873 /nfs/dbraw/zinc/07/88/73/1143078873.db2.gz LYXKAHAEBLXZHX-INIZCTEOSA-N 0 3 321.465 2.027 20 30 DEEDHN CC[C@@H](CC#N)N[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254807719 1143327080 /nfs/dbraw/zinc/32/70/80/1143327080.db2.gz OWQFDNAWBXXNEX-KBPBESRZSA-N 0 3 323.437 2.437 20 30 DEEDHN C=CCn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)C#N ZINC001340593060 1143377097 /nfs/dbraw/zinc/37/70/97/1143377097.db2.gz GRDQENWZMBZHMC-KGLIPLIRSA-N 0 3 316.453 2.184 20 30 DEEDHN C=CCn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)C#N ZINC001340593066 1143377665 /nfs/dbraw/zinc/37/76/65/1143377665.db2.gz GRDQENWZMBZHMC-ZIAGYGMSSA-N 0 3 316.453 2.184 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC001340765628 1143435318 /nfs/dbraw/zinc/43/53/18/1143435318.db2.gz ALBGXWVGCVZCBM-HNNXBMFYSA-N 0 3 318.417 2.190 20 30 DEEDHN CC[C@@H](CC#N)n1nc(C(=O)NC2CCCC2)c2c1CCNC2 ZINC001255170584 1143465045 /nfs/dbraw/zinc/46/50/45/1143465045.db2.gz VEPWYJUFWZPBOY-ZDUSSCGKSA-N 0 3 315.421 2.066 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341047132 1143528900 /nfs/dbraw/zinc/52/89/00/1143528900.db2.gz XLWHKYMVYMADKY-SRVKXCTJSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1N1CCOC1=O ZINC001341410743 1143597086 /nfs/dbraw/zinc/59/70/86/1143597086.db2.gz YQODAPPLZIIKCB-GFCCVEGCSA-N 0 3 303.362 2.265 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@H]2CCCO2)cc1 ZINC001342054598 1143776764 /nfs/dbraw/zinc/77/67/64/1143776764.db2.gz PEKYHXUBDGRTGN-KCPJHIHWSA-N 0 3 316.357 2.158 20 30 DEEDHN C=CCO[C@H]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC001342227432 1143804543 /nfs/dbraw/zinc/80/45/43/1143804543.db2.gz CBJKJKRQOQUPAN-ZWKOTPCHSA-N 0 3 314.429 2.455 20 30 DEEDHN CC(C)n1ccc(CC(=O)C(C#N)C(=O)Nc2ccccc2)n1 ZINC001342579526 1143824833 /nfs/dbraw/zinc/82/48/33/1143824833.db2.gz LCSYAXQQRBOEFE-OAHLLOKOSA-N 0 3 310.357 2.354 20 30 DEEDHN N#CC(C(=O)CCc1nnc(C(F)F)o1)c1cccc(F)n1 ZINC001342714776 1143831924 /nfs/dbraw/zinc/83/19/24/1143831924.db2.gz FIXLRILBXMHWTQ-SSDOTTSWSA-N 0 3 310.235 2.350 20 30 DEEDHN C=C[C@H](COC)N[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC001342732559 1143833233 /nfs/dbraw/zinc/83/32/33/1143833233.db2.gz KYZGTJFJHBJBLZ-TZMCWYRMSA-N 0 3 312.435 2.300 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H](C)Cc2ccccn2)C1 ZINC001256424339 1143848311 /nfs/dbraw/zinc/84/83/11/1143848311.db2.gz VFIDWAFGEHCFFL-GOEBONIOSA-N 0 3 303.406 2.389 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC[C@H](C)OC)C2)CC1 ZINC001278964184 1143866858 /nfs/dbraw/zinc/86/68/58/1143866858.db2.gz OGDDZPYHGGXILK-FUHWJXTLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001299541400 1144054046 /nfs/dbraw/zinc/05/40/46/1144054046.db2.gz UBSGDGLOFHYUSK-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCS(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001259927852 1144159420 /nfs/dbraw/zinc/15/94/20/1144159420.db2.gz ZKFZUJNUNIDGMY-KRWDZBQOSA-N 0 3 320.458 2.100 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)NC[C@@H](C2CC2)N(C)C)cc1 ZINC001262154197 1144296135 /nfs/dbraw/zinc/29/61/35/1144296135.db2.gz ZDXZGSXHEMIZDZ-SNGWPZLWSA-N 0 3 300.402 2.190 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC001263091308 1144354591 /nfs/dbraw/zinc/35/45/91/1144354591.db2.gz JXQDIEJPSUEZIZ-OIISXLGYSA-N 0 3 304.434 2.341 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC001263157179 1144358870 /nfs/dbraw/zinc/35/88/70/1144358870.db2.gz QYAMZNADPIEOMA-FXUDXRNXSA-N 0 3 322.449 2.250 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCc2ncncc2C1 ZINC001263183684 1144360143 /nfs/dbraw/zinc/36/01/43/1144360143.db2.gz ZQJHOGXVAFVYPF-OAHLLOKOSA-N 0 3 304.438 2.439 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](N[C@H](C)c3n[nH]c(C)n3)C2)C1 ZINC001263843753 1144409077 /nfs/dbraw/zinc/40/90/77/1144409077.db2.gz JNGDRVORLBCSSO-BNOWGMLFSA-N 0 3 317.437 2.015 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001263863141 1144415055 /nfs/dbraw/zinc/41/50/55/1144415055.db2.gz HCSMBFVUBNHRKJ-IHRRRGAJSA-N 0 3 319.453 2.269 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2cccc(OC)c2)[C@H]1CC ZINC001264063956 1144452483 /nfs/dbraw/zinc/45/24/83/1144452483.db2.gz RQSOBSJDUMHZQE-DLBZAZTESA-N 0 3 318.417 2.229 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001264073092 1144454790 /nfs/dbraw/zinc/45/47/90/1144454790.db2.gz JBKWRTAFTWMUGG-GFCCVEGCSA-N 0 3 312.797 2.018 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCCCN(C(=O)/C(C)=C\C)C1 ZINC001264117554 1144473549 /nfs/dbraw/zinc/47/35/49/1144473549.db2.gz ZZVDVAVZSMDRCO-FQJVJMQJSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)OCCCC)CC(C)(C)C1 ZINC001264192592 1144502350 /nfs/dbraw/zinc/50/23/50/1144502350.db2.gz BOZHMBDKHDWSKA-JKSUJKDBSA-N 0 3 308.466 2.432 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001264193146 1144504691 /nfs/dbraw/zinc/50/46/91/1144504691.db2.gz LSXBXJNNGPEGRY-JKSUJKDBSA-N 0 3 320.477 2.289 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001264388929 1144525125 /nfs/dbraw/zinc/52/51/25/1144525125.db2.gz UFQMNCBEOUFXLX-HDICACEKSA-N 0 3 321.424 2.473 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001264398224 1144528866 /nfs/dbraw/zinc/52/88/66/1144528866.db2.gz FKWHNEPOHZPHAP-BETUJISGSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(CCn2nc(C)cc2C)[C@@H]1CC ZINC001264602496 1144575014 /nfs/dbraw/zinc/57/50/14/1144575014.db2.gz LUXGLRDTCZOQKV-DLBZAZTESA-N 0 3 318.465 2.435 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1C ZINC001264705621 1144598728 /nfs/dbraw/zinc/59/87/28/1144598728.db2.gz XKQGNKZWVQIBIN-WBMJQRKESA-N 0 3 324.371 2.360 20 30 DEEDHN CC(C)COCCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001264738892 1144603348 /nfs/dbraw/zinc/60/33/48/1144603348.db2.gz JZUKQALJBHISGN-HOTGVXAUSA-N 0 3 309.454 2.132 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CNC(=O)CC(C)(C)C ZINC001264745505 1144605519 /nfs/dbraw/zinc/60/55/19/1144605519.db2.gz IZWDHODRUDAZDG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2cccnc2)CC(C)(C)C1 ZINC001264753796 1144607199 /nfs/dbraw/zinc/60/71/99/1144607199.db2.gz OGNCIZAPGCTRKZ-QGZVFWFLSA-N 0 3 313.445 2.254 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001265263069 1144676697 /nfs/dbraw/zinc/67/66/97/1144676697.db2.gz RJYXTKPEILOZAA-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001265332712 1144694990 /nfs/dbraw/zinc/69/49/90/1144694990.db2.gz ZIPLQJMLGZBYQZ-IAGOWNOFSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)Cn2nc(C)cc2C)CC1 ZINC001265340083 1144696088 /nfs/dbraw/zinc/69/60/88/1144696088.db2.gz FGVXYBRDFBDTTD-UHFFFAOYSA-N 0 3 318.465 2.389 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](NCc1cnc(C)nc1)C1CC1 ZINC001265369681 1144698970 /nfs/dbraw/zinc/69/89/70/1144698970.db2.gz BTTNLIYZZGCBEU-SJLPKXTDSA-N 0 3 316.449 2.372 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001265461699 1144705368 /nfs/dbraw/zinc/70/53/68/1144705368.db2.gz WXAYCMWRUVWNLS-PQUAAJSLSA-N 0 3 306.450 2.043 20 30 DEEDHN O=C(CC1CC1)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001265463004 1144705466 /nfs/dbraw/zinc/70/54/66/1144705466.db2.gz QOUJOTNDWDPUGO-QAQDUYKDSA-N 0 3 300.377 2.214 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]21 ZINC001265520353 1144708709 /nfs/dbraw/zinc/70/87/09/1144708709.db2.gz DMTBKYDZIALHOZ-IRXDYDNUSA-N 0 3 316.449 2.199 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2(CCF)CC2)C1 ZINC001265523332 1144708789 /nfs/dbraw/zinc/70/87/89/1144708789.db2.gz KDTHTUZDMRHHGQ-CVEARBPZSA-N 0 3 306.425 2.462 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCC2CCOCC2)C1 ZINC001265584301 1144715067 /nfs/dbraw/zinc/71/50/67/1144715067.db2.gz KJNXRPYQIQRFGI-SFHVURJKSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001265586862 1144715398 /nfs/dbraw/zinc/71/53/98/1144715398.db2.gz QBIYIMOCTVOPSX-AWEZNQCLSA-N 0 3 320.383 2.277 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001265679531 1144726735 /nfs/dbraw/zinc/72/67/35/1144726735.db2.gz DWSYLDXLUVYMJK-INIZCTEOSA-N 0 3 304.438 2.247 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1csc(-c2ccoc2)n1 ZINC001265841844 1144746689 /nfs/dbraw/zinc/74/66/89/1144746689.db2.gz XBCOSCVEYZJSFV-LLVKDONJSA-N 0 3 303.387 2.134 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)CCC(F)(F)F ZINC001265936976 1144763832 /nfs/dbraw/zinc/76/38/32/1144763832.db2.gz NKSLHSSLRAHLQT-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001265978694 1144775338 /nfs/dbraw/zinc/77/53/38/1144775338.db2.gz VEDNDUOVPFHBID-UHFFFAOYSA-N 0 3 320.373 2.010 20 30 DEEDHN CC#CCN(CCCNC(=O)C1(c2cc(C)no2)CC1)C1CC1 ZINC001266153762 1144810318 /nfs/dbraw/zinc/81/03/18/1144810318.db2.gz SRUXQJPBMQSUDG-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN CC#CCN(CCCNC(=O)CC(F)(F)C(F)F)C1CC1 ZINC001266159229 1144810673 /nfs/dbraw/zinc/81/06/73/1144810673.db2.gz JEGSOIZIBNIMJM-UHFFFAOYSA-N 0 3 308.319 2.271 20 30 DEEDHN CCCCOCCN1CC=C(CNC(=O)C#CC(C)C)CC1 ZINC001279544190 1144824259 /nfs/dbraw/zinc/82/42/59/1144824259.db2.gz GPROFUNQWKUGPQ-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC001280019481 1144831101 /nfs/dbraw/zinc/83/11/01/1144831101.db2.gz GXNBRRKDUXJFIA-GFCCVEGCSA-N 0 3 311.788 2.415 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1ccc2c(c1)COC2 ZINC001316602749 1144835465 /nfs/dbraw/zinc/83/54/65/1144835465.db2.gz BAUAOUHDIJUSER-GOSISDBHSA-N 0 3 314.429 2.368 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CCN1CCCF ZINC001316603497 1144839308 /nfs/dbraw/zinc/83/93/08/1144839308.db2.gz DEEQWZUTTNYRCM-KRWDZBQOSA-N 0 3 302.393 2.103 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001280760836 1144853533 /nfs/dbraw/zinc/85/35/33/1144853533.db2.gz SMPVRERBHQFUBE-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2cc(C)n(C)n2)C1 ZINC001281748050 1144912527 /nfs/dbraw/zinc/91/25/27/1144912527.db2.gz LJEQRRLJUUKVLF-ZDUSSCGKSA-N 0 3 304.438 2.069 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ccnn2C)CCC1 ZINC001282185009 1145009476 /nfs/dbraw/zinc/00/94/76/1145009476.db2.gz MOTNKHDYCBWLLC-KBPBESRZSA-N 0 3 304.438 2.149 20 30 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C=CCC1(C(=O)N2CC[C@@H](N3CCN(CCC)CC3)C2)CCC1 ZINC001327093202 1148324051 /nfs/dbraw/zinc/32/40/51/1148324051.db2.gz BNWKNDNVQRWEOD-QGZVFWFLSA-N 0 3 319.493 2.361 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)/C=C\C(C)(C)C)CC1 ZINC001327111499 1148328225 /nfs/dbraw/zinc/32/82/25/1148328225.db2.gz RXDILIQEGUXXOP-SLWQEBJJSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001327212201 1148348394 /nfs/dbraw/zinc/34/83/94/1148348394.db2.gz BLODMXLOECYSFI-UHFFFAOYSA-N 0 3 316.449 2.485 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1CCCN1c1ccccc1 ZINC001327213280 1148348775 /nfs/dbraw/zinc/34/87/75/1148348775.db2.gz PSTUUYAZOBNHLU-SFHVURJKSA-N 0 3 313.445 2.069 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001327212578 1148349097 /nfs/dbraw/zinc/34/90/97/1148349097.db2.gz HPJOJIACKWESHL-IAGOWNOFSA-N 0 3 308.466 2.385 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)cc1F ZINC000278621854 214281601 /nfs/dbraw/zinc/28/16/01/214281601.db2.gz KAHISMKIRQATEW-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCO1)C(C)C ZINC000079032777 185147861 /nfs/dbraw/zinc/14/78/61/185147861.db2.gz WQFRPKXBKCZEGZ-JKSUJKDBSA-N 0 3 309.454 2.163 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](CO)C1)C(C)C ZINC000079440461 185171793 /nfs/dbraw/zinc/17/17/93/185171793.db2.gz SGOHFMZEYJCPNO-IRXDYDNUSA-N 0 3 323.481 2.099 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NC[C@@H]3CCSC3)C2=O)cc1 ZINC000278775629 214392269 /nfs/dbraw/zinc/39/22/69/214392269.db2.gz PDDPTEWYWOMBOB-HOCLYGCPSA-N 0 3 315.442 2.396 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@](C)(O)c2ccccc2)CC1 ZINC000272810937 210210755 /nfs/dbraw/zinc/21/07/55/210210755.db2.gz NJPRXHVNSIJSFV-SFHVURJKSA-N 0 3 302.418 2.051 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(C#N)s2)C1 ZINC000422219191 529808550 /nfs/dbraw/zinc/80/85/50/529808550.db2.gz NWHAQMFRCVTHNL-DOMZBBRYSA-N 0 3 318.446 2.245 20 30 DEEDHN CN(CC#Cc1ccccc1Cl)C1CCN(CCO)CC1 ZINC000441174917 529822963 /nfs/dbraw/zinc/82/29/63/529822963.db2.gz ZGLOUTSVPRHOSB-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN CN(Cc1cc(C#N)n(C)c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000294976423 529976368 /nfs/dbraw/zinc/97/63/68/529976368.db2.gz JLUOFXGVUMERQD-UHFFFAOYSA-N 0 3 318.421 2.384 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000614729613 362449553 /nfs/dbraw/zinc/44/95/53/362449553.db2.gz RQEVZRSLPHYUAY-MOPGFXCFSA-N 0 3 314.429 2.048 20 30 DEEDHN C#CCOc1cccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272714529 210121425 /nfs/dbraw/zinc/12/14/25/210121425.db2.gz LHBZPBWDHQSTQZ-CQSZACIVSA-N 0 3 313.401 2.471 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1Cc1ccccc1 ZINC000152594236 186088264 /nfs/dbraw/zinc/08/82/64/186088264.db2.gz MIGBZQSDXFYRBI-BBRMVZONSA-N 0 3 308.385 2.279 20 30 DEEDHN CC[C@@H](C)N(CCO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287187590 219368323 /nfs/dbraw/zinc/36/83/23/219368323.db2.gz CVSYPNCXQFDLHM-RHSMWYFYSA-N 0 3 315.417 2.146 20 30 DEEDHN COCCN1CCC(NC(=O)[C@H]2CCc3cccnc32)CC1 ZINC000329370928 539919746 /nfs/dbraw/zinc/91/97/46/539919746.db2.gz JXMAAVOHYVJZBZ-HNNXBMFYSA-N 0 3 303.406 2.179 20 30 DEEDHN CCN1CCC[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC000329161126 539915080 /nfs/dbraw/zinc/91/50/80/539915080.db2.gz YTACUNBUKJLXKP-AWEZNQCLSA-N 0 3 301.390 2.083 20 30 DEEDHN Cc1cccc(CCNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000329893147 539931750 /nfs/dbraw/zinc/93/17/50/539931750.db2.gz ALXYORSSRKDKGC-DZGCQCFKSA-N 0 3 302.422 2.061 20 30 DEEDHN N#Cc1cccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1F ZINC000331984876 234352633 /nfs/dbraw/zinc/35/26/33/234352633.db2.gz UDBNESSXLCRDAT-CABCVRRESA-N 0 3 301.365 2.188 20 30 DEEDHN CCCCN(C)CCNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000340236307 535224412 /nfs/dbraw/zinc/22/44/12/535224412.db2.gz KUWDOVZCLZFGBQ-UHFFFAOYSA-N 0 3 302.422 2.086 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000015550437 354033499 /nfs/dbraw/zinc/03/34/99/354033499.db2.gz WPNQBPZPXVDKOZ-HNNXBMFYSA-N 0 3 307.369 2.124 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)ccc1C#N ZINC000028840350 354103815 /nfs/dbraw/zinc/10/38/15/354103815.db2.gz QQMASUJOMOCFHR-QGZVFWFLSA-N 0 3 322.412 2.164 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000066308744 354708028 /nfs/dbraw/zinc/70/80/28/354708028.db2.gz YROBWYQEJTVGMK-DOTOQJQBSA-N 0 3 304.434 2.257 20 30 DEEDHN CN(CCNc1ncc([N+](=O)[O-])cc1C#N)Cc1ccccc1 ZINC000064916285 354675661 /nfs/dbraw/zinc/67/56/61/354675661.db2.gz GGSBOPHYYORQEV-UHFFFAOYSA-N 0 3 311.345 2.405 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000067126797 354747644 /nfs/dbraw/zinc/74/76/44/354747644.db2.gz QQBWBFMXIBAMAB-UHFFFAOYSA-N 0 3 301.346 2.187 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccccc1C#N)N1CCC(C)CC1 ZINC000067273218 354755096 /nfs/dbraw/zinc/75/50/96/354755096.db2.gz BELPRHVJINBWBE-HNNXBMFYSA-N 0 3 315.417 2.174 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000068487294 354815866 /nfs/dbraw/zinc/81/58/66/354815866.db2.gz MUNBTDIFLYRGJC-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN Cc1cc(CN[C@@H]2CCCc3c2cnn3CCO)ccc1C#N ZINC000618192018 363409541 /nfs/dbraw/zinc/40/95/41/363409541.db2.gz TTYFCIGIAODFTI-QGZVFWFLSA-N 0 3 310.401 2.223 20 30 DEEDHN CCN(CC(=O)NCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000076071737 355123436 /nfs/dbraw/zinc/12/34/36/355123436.db2.gz IWKJZUGAIHGRRC-INIZCTEOSA-N 0 3 305.397 2.354 20 30 DEEDHN C=C(Cl)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000077570211 355212916 /nfs/dbraw/zinc/21/29/16/355212916.db2.gz OKPZPSGZXLESBM-UHFFFAOYSA-N 0 3 317.886 2.400 20 30 DEEDHN C[C@](CO)(NCC(=O)NC1(C#N)CCCCC1)C1CCCCC1 ZINC000077656404 355219638 /nfs/dbraw/zinc/21/96/38/355219638.db2.gz GMLJQJLXLNWQSC-QGZVFWFLSA-N 0 3 321.465 2.250 20 30 DEEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000081123978 355409170 /nfs/dbraw/zinc/40/91/70/355409170.db2.gz GOMZBYKNFFIHRY-ZWKOTPCHSA-N 0 3 309.413 2.405 20 30 DEEDHN CN(CCOc1cccc(C#N)c1)[C@H](CO)Cc1ccccc1 ZINC000595597514 358496274 /nfs/dbraw/zinc/49/62/74/358496274.db2.gz QMXVXTFVVLQUBB-SFHVURJKSA-N 0 3 310.397 2.472 20 30 DEEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000081689294 355444897 /nfs/dbraw/zinc/44/48/97/355444897.db2.gz JCCLFHBMZCRJSK-FGTMMUONSA-N 0 3 309.413 2.262 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080960979 355396207 /nfs/dbraw/zinc/39/62/07/355396207.db2.gz UJLQRUZEQXKJSD-OAHLLOKOSA-N 0 3 323.400 2.490 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595596575 358496624 /nfs/dbraw/zinc/49/66/24/358496624.db2.gz OYHGYSHOMHWXAT-LSDHHAIUSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1ccc(CNC2CCN(C(=O)C3CC3)CC2)c(F)c1 ZINC000089152207 355521736 /nfs/dbraw/zinc/52/17/36/355521736.db2.gz VOPVXEUNBFZSQO-UHFFFAOYSA-N 0 3 301.365 2.188 20 30 DEEDHN C=C(C)CN1CCC(Nc2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000094156398 355695500 /nfs/dbraw/zinc/69/55/00/355695500.db2.gz LGUIMYDCZVZBST-UHFFFAOYSA-N 0 3 307.398 2.343 20 30 DEEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CN(C)CCO1 ZINC000129353630 355833480 /nfs/dbraw/zinc/83/34/80/355833480.db2.gz CVHODFYOCPLMBO-QAPCUYQASA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000138510914 355872345 /nfs/dbraw/zinc/87/23/45/355872345.db2.gz DGJFAAOXDPDDPW-UHFFFAOYSA-N 0 3 315.417 2.041 20 30 DEEDHN CC(C)CN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C ZINC000180562663 356053572 /nfs/dbraw/zinc/05/35/72/356053572.db2.gz CIVYPJOLQHMKDK-QGZVFWFLSA-N 0 3 322.497 2.045 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000352831467 283145889 /nfs/dbraw/zinc/14/58/89/283145889.db2.gz CZCSLLWDGKPVSX-JSGCOSHPSA-N 0 3 314.307 2.064 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000194867914 356246080 /nfs/dbraw/zinc/24/60/80/356246080.db2.gz MBXBKVRVLNIOTF-SFHVURJKSA-N 0 3 324.465 2.322 20 30 DEEDHN COCC(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000618561970 363528674 /nfs/dbraw/zinc/52/86/74/363528674.db2.gz MCHNLMAYMNHOPM-HIFRSBDPSA-N 0 3 301.390 2.443 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2ccccc2)cc1F ZINC000404109429 356731269 /nfs/dbraw/zinc/73/12/69/356731269.db2.gz DBLGDOZOMDDZNQ-QGZVFWFLSA-N 0 3 314.360 2.365 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccccc2F)s1 ZINC000579465296 356977833 /nfs/dbraw/zinc/97/78/33/356977833.db2.gz SRHZRXGSXRJDOQ-NSHDSACASA-N 0 3 306.362 2.288 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000580948690 357106369 /nfs/dbraw/zinc/10/63/69/357106369.db2.gz HPVVEBPHLOIPOH-GVRJEKJASA-N 0 3 304.438 2.050 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276862613 213139059 /nfs/dbraw/zinc/13/90/59/213139059.db2.gz XJMPRAJLSQZNGZ-INIZCTEOSA-N 0 3 300.402 2.448 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCCS(=O)(=O)C1 ZINC000588231341 357403026 /nfs/dbraw/zinc/40/30/26/357403026.db2.gz DSENGIKJZCJCJY-RHSMWYFYSA-N 0 3 318.442 2.350 20 30 DEEDHN C[C@H]1[C@H](NC(=O)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000589621363 357483979 /nfs/dbraw/zinc/48/39/79/357483979.db2.gz APPQWVUWQMBSEK-WMLDXEAASA-N 0 3 320.396 2.346 20 30 DEEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)N(C)C ZINC000591183215 357686896 /nfs/dbraw/zinc/68/68/96/357686896.db2.gz OGPDCOXVCANYLE-STQMWFEESA-N 0 3 324.222 2.470 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCSc2ccc(F)cc21 ZINC000591241196 357694163 /nfs/dbraw/zinc/69/41/63/357694163.db2.gz LGBOHLZTHHPSPC-ZFWWWQNUSA-N 0 3 323.437 2.159 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H](O)Cc3ccccc3)C2)nc1 ZINC000292356354 223016783 /nfs/dbraw/zinc/01/67/83/223016783.db2.gz XRGSLXQYTPQAHH-QZTJIDSGSA-N 0 3 323.396 2.010 20 30 DEEDHN COc1ccc2ncc(C#N)c(NCCN3CC=CCC3)c2c1 ZINC000591939133 357802467 /nfs/dbraw/zinc/80/24/67/357802467.db2.gz OZQVERJCBCJPJD-UHFFFAOYSA-N 0 3 308.385 2.211 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NC3CC3)nc2)CC1 ZINC000592068485 357823542 /nfs/dbraw/zinc/82/35/42/357823542.db2.gz VQDKZYRSNQPKIE-UHFFFAOYSA-N 0 3 300.406 2.036 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](OCC)C2)CC1 ZINC000592302308 357860925 /nfs/dbraw/zinc/86/09/25/357860925.db2.gz JAZCBMQQVXMKFL-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CC)C[C@@H]2CCOC2)CC1 ZINC000592351912 357865103 /nfs/dbraw/zinc/86/51/03/357865103.db2.gz JKWSSDRTBXOKEW-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2cnccc2C)CC1 ZINC000660597168 540309917 /nfs/dbraw/zinc/30/99/17/540309917.db2.gz MBBRZLOKSWLFSH-UHFFFAOYSA-N 0 3 316.449 2.272 20 30 DEEDHN CSC[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592514535 357890823 /nfs/dbraw/zinc/89/08/23/357890823.db2.gz GJGQUSAEKIRQNG-GFCCVEGCSA-N 0 3 301.419 2.176 20 30 DEEDHN C=CCN(C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H](C)COC ZINC000665271872 540349331 /nfs/dbraw/zinc/34/93/31/540349331.db2.gz UBQLYKFOHNUCHT-XHSDSOJGSA-N 0 3 309.454 2.236 20 30 DEEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c(C#N)c1C ZINC000179876825 199090686 /nfs/dbraw/zinc/09/06/86/199090686.db2.gz UEIDOLBSMWYCMM-NWDGAFQWSA-N 0 3 319.405 2.500 20 30 DEEDHN C[C@]1(NC(=O)c2cccc(C#N)n2)CCN(Cc2ccccc2)C1 ZINC000593336355 358057444 /nfs/dbraw/zinc/05/74/44/358057444.db2.gz GITWZYYTKQUSDU-IBGZPJMESA-N 0 3 320.396 2.348 20 30 DEEDHN CCOC(=O)[C@@]1(NC(=O)C(C#N)CC)CCc2ccccc21 ZINC000593470884 358086073 /nfs/dbraw/zinc/08/60/73/358086073.db2.gz NQATYDXUKWGIAJ-YVEFUNNKSA-N 0 3 300.358 2.057 20 30 DEEDHN Cn1cc(CNCCOc2cccc(C(F)(F)F)n2)cc1C#N ZINC000276656511 213027443 /nfs/dbraw/zinc/02/74/43/213027443.db2.gz VCUJTZIJERPGDH-UHFFFAOYSA-N 0 3 324.306 2.479 20 30 DEEDHN CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCCCC#N ZINC000594426300 358265987 /nfs/dbraw/zinc/26/59/87/358265987.db2.gz CHPIGFRDHFVSJK-MRXNPFEDSA-N 0 3 303.406 2.455 20 30 DEEDHN COc1ccc(Cl)cc1CNC(=O)[C@H](N)CCCCC#N ZINC000594429713 358267848 /nfs/dbraw/zinc/26/78/48/358267848.db2.gz VWXPEWOMUOQHOI-CYBMUJFWSA-N 0 3 309.797 2.376 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)C[C@H](c2ccsc2)O1 ZINC000594433016 358268767 /nfs/dbraw/zinc/26/87/67/358268767.db2.gz JLRZTVYSQCVZKV-BPLDGKMQSA-N 0 3 321.446 2.448 20 30 DEEDHN Cn1nc(C2CCCC2)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594437305 358270317 /nfs/dbraw/zinc/27/03/17/358270317.db2.gz MWUFKAYZWHJHIZ-CYBMUJFWSA-N 0 3 303.410 2.427 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000595258204 358407842 /nfs/dbraw/zinc/40/78/42/358407842.db2.gz SRUFZRQFSOMAFH-HOTGVXAUSA-N 0 3 319.380 2.137 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000595783468 358548472 /nfs/dbraw/zinc/54/84/72/358548472.db2.gz AEVPRHASOQJPDC-HNNXBMFYSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000618816237 363611654 /nfs/dbraw/zinc/61/16/54/363611654.db2.gz KMSZYGTWHNLNKM-AEFFLSMTSA-N 0 3 324.428 2.329 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(C#N)s2)CCOCC1 ZINC000595878284 358570312 /nfs/dbraw/zinc/57/03/12/358570312.db2.gz VWBWNDXKBWBJPP-UHFFFAOYSA-N 0 3 308.403 2.212 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc2c(c1)CCCO2 ZINC000595990696 358590716 /nfs/dbraw/zinc/59/07/16/358590716.db2.gz CQPLFDOWNLHVGH-DOMZBBRYSA-N 0 3 301.390 2.210 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C(F)(F)F)C2)cc1 ZINC000597313619 358886378 /nfs/dbraw/zinc/88/63/78/358886378.db2.gz XYGRGBBZIMMUCK-LBPRGKRZSA-N 0 3 307.275 2.261 20 30 DEEDHN N#CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597904989 359036417 /nfs/dbraw/zinc/03/64/17/359036417.db2.gz WAWHCILRKJPCFK-IAGOWNOFSA-N 0 3 306.369 2.393 20 30 DEEDHN Cc1n[nH]c(C)c1CCNC(=O)C(C#N)CCc1ccccc1 ZINC000597732003 358992485 /nfs/dbraw/zinc/99/24/85/358992485.db2.gz HVAMTGMMDLLKPR-INIZCTEOSA-N 0 3 310.401 2.458 20 30 DEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC000598195586 359120008 /nfs/dbraw/zinc/12/00/08/359120008.db2.gz OWMIOPKESFPYMV-MRXNPFEDSA-N 0 3 317.458 2.019 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1c(F)cccc1C#N ZINC000598262383 359139799 /nfs/dbraw/zinc/13/97/99/359139799.db2.gz YZIRDQJUGRYKPY-CQSZACIVSA-N 0 3 317.408 2.476 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](CO)CC1CC1 ZINC000598293697 359153823 /nfs/dbraw/zinc/15/38/23/359153823.db2.gz SSGWRVDEUJZLKA-IRXDYDNUSA-N 0 3 300.402 2.284 20 30 DEEDHN Cc1noc(C)c1CO[C@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598606047 359259171 /nfs/dbraw/zinc/25/91/71/359259171.db2.gz YPIQAYBYJYLEIT-GJZGRUSLSA-N 0 3 321.421 2.183 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1OC ZINC000598585771 359250505 /nfs/dbraw/zinc/25/05/05/359250505.db2.gz AFQRDKKHJGXZKY-AWEZNQCLSA-N 0 3 306.406 2.436 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCN(CCc2cccs2)CC1 ZINC000598587626 359251499 /nfs/dbraw/zinc/25/14/99/359251499.db2.gz SXPKKHVTPSDNHA-HNNXBMFYSA-N 0 3 321.490 2.209 20 30 DEEDHN COC(=O)CCN(Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598589763 359252053 /nfs/dbraw/zinc/25/20/53/359252053.db2.gz IWRJKPSLKOAEKH-MRXNPFEDSA-N 0 3 318.417 2.352 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@]1(C)CO ZINC000598443273 359200938 /nfs/dbraw/zinc/20/09/38/359200938.db2.gz WPGRYFKLARLTDK-HFTRVMKXSA-N 0 3 300.402 2.236 20 30 DEEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000598603172 359257546 /nfs/dbraw/zinc/25/75/46/359257546.db2.gz YIYJXXWOZIIKMS-DEOKDLAOSA-N 0 3 308.447 2.375 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(C(F)(F)F)n1 ZINC000598728493 359307598 /nfs/dbraw/zinc/30/75/98/359307598.db2.gz TWPUTQWUMOUYFW-NSHDSACASA-N 0 3 301.312 2.491 20 30 DEEDHN COC[C@H](Cc1ccccc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598613995 359260869 /nfs/dbraw/zinc/26/08/69/359260869.db2.gz AKMSVZFCGYUVEP-DLBZAZTESA-N 0 3 304.434 2.477 20 30 DEEDHN CC(C)OCCOC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598621919 359264679 /nfs/dbraw/zinc/26/46/79/359264679.db2.gz YUQXXYTZOVXBLL-HNNXBMFYSA-N 0 3 312.454 2.193 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618986326 363658346 /nfs/dbraw/zinc/65/83/46/363658346.db2.gz YFBKHYHDPVPEOL-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN CC(=O)NC[C@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000599689222 359573843 /nfs/dbraw/zinc/57/38/43/359573843.db2.gz HNEBWSRVVURPBM-MRXNPFEDSA-N 0 3 307.438 2.078 20 30 DEEDHN CC(=O)NC[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000599689221 359573880 /nfs/dbraw/zinc/57/38/80/359573880.db2.gz HNEBWSRVVURPBM-INIZCTEOSA-N 0 3 307.438 2.078 20 30 DEEDHN C=CCC[C@H](C(=O)NC[C@@](C)(O)CN(C)C)c1ccccc1 ZINC000187159483 200069976 /nfs/dbraw/zinc/06/99/76/200069976.db2.gz MZMXAVNOGQMMNC-FUHWJXTLSA-N 0 3 304.434 2.165 20 30 DEEDHN C=CCCn1cc(CN(CCN(C)C)Cc2ccc(C)o2)nn1 ZINC000668158911 540601491 /nfs/dbraw/zinc/60/14/91/540601491.db2.gz DYIAAYZKUWLMAF-UHFFFAOYSA-N 0 3 317.437 2.319 20 30 DEEDHN C#CCOc1ccccc1NC(=O)NCCN(CC)C1CC1 ZINC000188129640 200198471 /nfs/dbraw/zinc/19/84/71/200198471.db2.gz VJFBLISISKMBRE-UHFFFAOYSA-N 0 3 301.390 2.304 20 30 DEEDHN C=CC[C@@H]1CCCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000668494388 540673490 /nfs/dbraw/zinc/67/34/90/540673490.db2.gz YQBUKNHLPPKYEK-MRXNPFEDSA-N 0 3 318.465 2.353 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(Cl)cc2F)CC1 ZINC000189377634 200389545 /nfs/dbraw/zinc/38/95/45/200389545.db2.gz JBDUQPLFPCOMOW-UHFFFAOYSA-N 0 3 308.784 2.441 20 30 DEEDHN COC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)n1C ZINC000602016633 360241600 /nfs/dbraw/zinc/24/16/00/360241600.db2.gz HYTFXONSACWPAK-MRXNPFEDSA-N 0 3 309.369 2.460 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC000602574392 360439999 /nfs/dbraw/zinc/43/99/99/360439999.db2.gz ZXYOLEXDGSGVLQ-MRXNPFEDSA-N 0 3 308.385 2.386 20 30 DEEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2cccc(C#N)n2)C1 ZINC000602638768 360471823 /nfs/dbraw/zinc/47/18/23/360471823.db2.gz WMPCHLDKEFTXON-QGZVFWFLSA-N 0 3 301.390 2.364 20 30 DEEDHN CO[C@H](CN(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000602659400 360481132 /nfs/dbraw/zinc/48/11/32/360481132.db2.gz MJIYTWXQOKXAKP-GOSISDBHSA-N 0 3 301.434 2.347 20 30 DEEDHN Cc1nnsc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000602660151 360481530 /nfs/dbraw/zinc/48/15/30/360481530.db2.gz ZIZHKRCUOMSOOI-UHFFFAOYSA-N 0 3 315.446 2.282 20 30 DEEDHN N#Cc1cccc(CNCC[C@@H](O)COCc2ccccc2)n1 ZINC000602731292 360522620 /nfs/dbraw/zinc/52/26/20/360522620.db2.gz VGCIRDVTAWRUGY-GOSISDBHSA-N 0 3 311.385 2.011 20 30 DEEDHN C[C@@H]1OCC[C@H]1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000602802789 360561494 /nfs/dbraw/zinc/56/14/94/360561494.db2.gz UYCBQVLBPMRIHV-QILLFSRXSA-N 0 3 317.408 2.433 20 30 DEEDHN CCOc1ccccc1CN1CCN(C(=O)C(C)C#N)[C@@H](C)C1 ZINC000442894590 238089211 /nfs/dbraw/zinc/08/92/11/238089211.db2.gz IFTBLIMHKHUYSB-CABCVRRESA-N 0 3 315.417 2.278 20 30 DEEDHN N#Cc1cc(NC(=O)NC[C@H]2CCN2C2CCCCC2)ccn1 ZINC000603122481 360710414 /nfs/dbraw/zinc/71/04/14/360710414.db2.gz CWLMDRHTLVMFSG-MRXNPFEDSA-N 0 3 313.405 2.482 20 30 DEEDHN N#Cc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)ccn1 ZINC000603126621 360711008 /nfs/dbraw/zinc/71/10/08/360711008.db2.gz GJBBTWXVGWWERC-UHFFFAOYSA-N 0 3 313.405 2.435 20 30 DEEDHN COCc1cc(C#N)ccc1NCCN1CCC(OC)CC1 ZINC000603311871 360787831 /nfs/dbraw/zinc/78/78/31/360787831.db2.gz YDJXVIRJRUMWPD-UHFFFAOYSA-N 0 3 303.406 2.227 20 30 DEEDHN Cn1cc(CN[C@H](CO)CC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000603431248 360831315 /nfs/dbraw/zinc/83/13/15/360831315.db2.gz KYRUYBYPAPWMOJ-AWEZNQCLSA-N 0 3 320.343 2.064 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(C)n[nH]1)C(C)C ZINC000606641516 361027979 /nfs/dbraw/zinc/02/79/79/361027979.db2.gz FZCINULBZGYOOZ-INIZCTEOSA-N 0 3 319.453 2.216 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(C)[nH]n1)C(C)C ZINC000606641516 361027984 /nfs/dbraw/zinc/02/79/84/361027984.db2.gz FZCINULBZGYOOZ-INIZCTEOSA-N 0 3 319.453 2.216 20 30 DEEDHN Cc1nn(-c2ccccc2)cc1CNC1CCN(CC#N)CC1 ZINC000609334733 361303019 /nfs/dbraw/zinc/30/30/19/361303019.db2.gz DFYFUDDCBHCSEA-UHFFFAOYSA-N 0 3 309.417 2.258 20 30 DEEDHN COC(=O)c1sc2ccccc2c1CNC(=O)C(C)C#N ZINC000609921386 361349472 /nfs/dbraw/zinc/34/94/72/361349472.db2.gz PLRDIDRFVGYTFR-SECBINFHSA-N 0 3 302.355 2.464 20 30 DEEDHN C=C(CNC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1 ZINC000672680299 541054466 /nfs/dbraw/zinc/05/44/66/541054466.db2.gz HXZXIHDTPLUKDS-UHFFFAOYSA-N 0 3 313.405 2.280 20 30 DEEDHN CCN(C[C@@H]1CCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619364550 363772871 /nfs/dbraw/zinc/77/28/71/363772871.db2.gz IQXPZCUBEJDWBI-IRXDYDNUSA-N 0 3 311.385 2.126 20 30 DEEDHN Cc1nc(NC(=O)C(C)C(F)(F)F)n(-c2ccc(C#N)cc2)n1 ZINC000610389249 361391488 /nfs/dbraw/zinc/39/14/88/361391488.db2.gz NMPIQAAFWAVJTI-QMMMGPOBSA-N 0 3 323.278 2.006 20 30 DEEDHN C[C@H](C#N)CN(C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000611091094 361525543 /nfs/dbraw/zinc/52/55/43/361525543.db2.gz DUCKJNKCCRPYAR-CRAIPNDOSA-N 0 3 301.434 2.103 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC(Cc3ccccc3)C2)cc1 ZINC000611177974 361541424 /nfs/dbraw/zinc/54/14/24/361541424.db2.gz HRNZOQPJFXKNJQ-LJQANCHMSA-N 0 3 322.408 2.472 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000611205187 361549077 /nfs/dbraw/zinc/54/90/77/361549077.db2.gz LVNYBUAHJWGOKQ-TZMCWYRMSA-N 0 3 319.430 2.083 20 30 DEEDHN COC1CCN(CCN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000611465744 361604238 /nfs/dbraw/zinc/60/42/38/361604238.db2.gz LIEOYYDYFZZXHR-ZDUSSCGKSA-N 0 3 305.397 2.459 20 30 DEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000611552576 361628130 /nfs/dbraw/zinc/62/81/30/361628130.db2.gz DDOFTACCTAFCPQ-SFHVURJKSA-N 0 3 317.408 2.435 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)c2ccncc2)CC1 ZINC000674152412 541189066 /nfs/dbraw/zinc/18/90/66/541189066.db2.gz CGRZNLVPLIHHCH-AWEZNQCLSA-N 0 3 302.422 2.135 20 30 DEEDHN C=C[C@H](O)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000611841413 361693109 /nfs/dbraw/zinc/69/31/09/361693109.db2.gz YGFHMSFTGBTZPJ-HKUYNNGSSA-N 0 3 314.429 2.048 20 30 DEEDHN Cc1cc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)nn1C ZINC000619723887 363866290 /nfs/dbraw/zinc/86/62/90/363866290.db2.gz DAHIINBGIGPEAT-AWEZNQCLSA-N 0 3 324.432 2.315 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CCN(CCOC)C1)c1ccccc1 ZINC000275414973 212319701 /nfs/dbraw/zinc/31/97/01/212319701.db2.gz ZEKRTBSFABDVSB-IAGOWNOFSA-N 0 3 302.418 2.183 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000093808948 193310897 /nfs/dbraw/zinc/31/08/97/193310897.db2.gz SUCAOYDJDGWRRS-INIZCTEOSA-N 0 3 300.402 2.176 20 30 DEEDHN CN(CCNC(=O)CCCCOc1cccc(C#N)c1)C1CC1 ZINC000264729906 204108924 /nfs/dbraw/zinc/10/89/24/204108924.db2.gz ZEJDSBIVAVEKSP-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN CN1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000264829645 204188706 /nfs/dbraw/zinc/18/87/06/204188706.db2.gz IUXCNQFSHYZNSH-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C#CCNC(=O)c1ccc(N2CC3CC4CC(C3)CC2C4)nc1 ZINC000264879928 204234601 /nfs/dbraw/zinc/23/46/01/204234601.db2.gz QRQOMUQNSIOIQZ-KWOWKCNFSA-N 0 3 309.413 2.460 20 30 DEEDHN C=C(C)COc1cc(CNC2(CO)CCOCC2)ccc1OC ZINC000265227178 204467421 /nfs/dbraw/zinc/46/74/21/204467421.db2.gz IEPMXJCWCLYHFS-UHFFFAOYSA-N 0 3 321.417 2.281 20 30 DEEDHN C#Cc1cccc(N(CC)C(=O)CCN2CCN(CC)CC2)c1 ZINC000266204112 205181511 /nfs/dbraw/zinc/18/15/11/205181511.db2.gz ZKWNGVCSFFKSOU-UHFFFAOYSA-N 0 3 313.445 2.048 20 30 DEEDHN CC1CCN(CCNC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000454324523 245654520 /nfs/dbraw/zinc/65/45/20/245654520.db2.gz QDKDDUREUNUBKY-UHFFFAOYSA-N 0 3 318.396 2.228 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2COC)CC1 ZINC000458313795 248257594 /nfs/dbraw/zinc/25/75/94/248257594.db2.gz CVVALYGTIAUACH-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000491203493 248907950 /nfs/dbraw/zinc/90/79/50/248907950.db2.gz WTEJTUQAEIYZPZ-CQSZACIVSA-N 0 3 318.417 2.273 20 30 DEEDHN CC#CCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000681538686 542167206 /nfs/dbraw/zinc/16/72/06/542167206.db2.gz NGAFZPAJWUSLSC-UHFFFAOYSA-N 0 3 303.406 2.299 20 30 DEEDHN CCC#C[C@@H](C)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711825 542194304 /nfs/dbraw/zinc/19/43/04/542194304.db2.gz QZSIVNIUNQJYCA-MJGOQNOKSA-N 0 3 300.446 2.357 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C/c1ncc[nH]1)C(C)C ZINC000493582495 249330384 /nfs/dbraw/zinc/33/03/84/249330384.db2.gz JOUVZBPIRJYGOS-MVGZEHJDSA-N 0 3 302.422 2.238 20 30 DEEDHN COC1([C@@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)CCC1 ZINC000412020697 284739197 /nfs/dbraw/zinc/73/91/97/284739197.db2.gz LSAYIFBVDXMACN-CQSZACIVSA-N 0 3 307.438 2.218 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)ccc2OC)CC1 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C[C@H](NCCC(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000180450102 402616956 /nfs/dbraw/zinc/61/69/56/402616956.db2.gz XGQOFVKNBCEMHM-LBPRGKRZSA-N 0 3 304.350 2.008 20 30 DEEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1 ZINC000180882338 402629436 /nfs/dbraw/zinc/62/94/36/402629436.db2.gz VSESCGUYUMOKPI-YOJQOHNYSA-N 0 3 303.337 2.003 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)CC(=O)OC)CC1 ZINC000181382979 402643547 /nfs/dbraw/zinc/64/35/47/402643547.db2.gz XSRZGHGMXBZLNX-UHFFFAOYSA-N 0 3 310.438 2.123 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@@H]2CC(C)C)CC1 ZINC000172227255 402646124 /nfs/dbraw/zinc/64/61/24/402646124.db2.gz IDELJAFYTMEDPO-INIZCTEOSA-N 0 3 309.454 2.093 20 30 DEEDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182017792 402664073 /nfs/dbraw/zinc/66/40/73/402664073.db2.gz FVZDGKMOZINMSB-DZGCQCFKSA-N 0 3 316.405 2.043 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 ZINC000253623544 402670486 /nfs/dbraw/zinc/67/04/86/402670486.db2.gz YSUNSHHBTPHYCY-DJIMGWMZSA-N 0 3 304.365 2.059 20 30 DEEDHN Cn1cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C#N ZINC000191536060 402676941 /nfs/dbraw/zinc/67/69/41/402676941.db2.gz OUMUZWKSGMQAIL-HOCLYGCPSA-N 0 3 301.415 2.166 20 30 DEEDHN Cn1cc(CNC[C@@H]2COC3(CCCCCC3)O2)cc1C#N ZINC000191566060 402679145 /nfs/dbraw/zinc/67/91/45/402679145.db2.gz YUMKVNCPGDXTCM-MRXNPFEDSA-N 0 3 303.406 2.452 20 30 DEEDHN N#CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000263692416 402791706 /nfs/dbraw/zinc/79/17/06/402791706.db2.gz IUPNABCDVIMCRE-CQSZACIVSA-N 0 3 311.307 2.081 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](CO)c1cccc(Br)c1 ZINC000183912589 402804747 /nfs/dbraw/zinc/80/47/47/402804747.db2.gz PLCLXBYLTMCSHV-UONOGXRCSA-N 0 3 314.223 2.399 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN[C@H](CO)c2ccccc2)c1 ZINC000183663189 402786605 /nfs/dbraw/zinc/78/66/05/402786605.db2.gz HDGOZGDSBACXST-QGZVFWFLSA-N 0 3 309.369 2.210 20 30 DEEDHN C#CCOc1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000278089967 402854768 /nfs/dbraw/zinc/85/47/68/402854768.db2.gz KLKXPCQAWLYWOA-NSHDSACASA-N 0 3 312.247 2.076 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cncn2-c2ccccc2)CC1 ZINC000264469980 402881910 /nfs/dbraw/zinc/88/19/10/402881910.db2.gz IKANHLDLBCAXAO-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN N#CCCN(Cc1ccccn1)C(=O)C1CCN(C2CC2)CC1 ZINC000279013015 402895522 /nfs/dbraw/zinc/89/55/22/402895522.db2.gz LUCLWVCASBKVFB-UHFFFAOYSA-N 0 3 312.417 2.198 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccsc2)CC1 ZINC000265773141 402948250 /nfs/dbraw/zinc/94/82/50/402948250.db2.gz MRCSGXPORFRSIA-HNNXBMFYSA-N 0 3 323.462 2.121 20 30 DEEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nc1 ZINC000265794406 402950359 /nfs/dbraw/zinc/95/03/59/402950359.db2.gz ORSGUGUIDGFKMS-ZWKOTPCHSA-N 0 3 322.412 2.248 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]([C@@H](C)O)C1 ZINC000272548125 402951707 /nfs/dbraw/zinc/95/17/07/402951707.db2.gz KISSMIWPSFIIGI-RRFJBIMHSA-N 0 3 322.474 2.354 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@H](C)CO)C(C)C ZINC000265888057 402959327 /nfs/dbraw/zinc/95/93/27/402959327.db2.gz UEAHUIRDEHCPGC-BZUAXINKSA-N 0 3 311.470 2.001 20 30 DEEDHN C[C@@H]1CN(CCN(C)Cc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC000279693291 402960960 /nfs/dbraw/zinc/96/09/60/402960960.db2.gz HYMFOADAUQWTJS-IYBDPMFKSA-N 0 3 317.433 2.130 20 30 DEEDHN N#CCCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000272925739 402961463 /nfs/dbraw/zinc/96/14/63/402961463.db2.gz HBNRDDISYJUAMB-UHFFFAOYSA-N 0 3 300.406 2.254 20 30 DEEDHN COCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280008673 402966313 /nfs/dbraw/zinc/96/63/13/402966313.db2.gz JRLWLSVKAODJNY-INIZCTEOSA-N 0 3 311.385 2.173 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCOCC2CC2)cc1 ZINC000280087148 402966996 /nfs/dbraw/zinc/96/69/96/402966996.db2.gz WICCFQLPNPYVFE-KRWDZBQOSA-N 0 3 311.385 2.173 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000272405477 402933322 /nfs/dbraw/zinc/93/33/22/402933322.db2.gz KGRKZCKVIXDECJ-IAQYHMDHSA-N 0 3 302.353 2.255 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1N(C)C ZINC000272418364 402934804 /nfs/dbraw/zinc/93/48/04/402934804.db2.gz AWWPTVXOCVAIEH-ZIAGYGMSSA-N 0 3 322.409 2.207 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCCC#N ZINC000273292317 402991753 /nfs/dbraw/zinc/99/17/53/402991753.db2.gz SOKQGJHVFHPRMJ-UHFFFAOYSA-N 0 3 324.375 2.342 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC#Cc1ccccc1 ZINC000273341165 402995598 /nfs/dbraw/zinc/99/55/98/402995598.db2.gz AKYHXBTWYQTVQC-MRXNPFEDSA-N 0 3 313.445 2.410 20 30 DEEDHN CN(CCC#N)c1ccc(CNCC2([S@](C)=O)CCC2)cc1 ZINC000280515842 403008387 /nfs/dbraw/zinc/00/83/87/403008387.db2.gz APCZZEOKYPFOIX-QFIPXVFZSA-N 0 3 319.474 2.427 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(CC)CCCO)C(C)C ZINC000266655353 402981915 /nfs/dbraw/zinc/98/19/15/402981915.db2.gz IFIUFQUZMACJSS-INIZCTEOSA-N 0 3 311.470 2.099 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000280268550 402981964 /nfs/dbraw/zinc/98/19/64/402981964.db2.gz LUSWTUVALQUYDM-CHWSQXEVSA-N 0 3 306.406 2.088 20 30 DEEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCC[C@@H](C#N)C1 ZINC000274176136 403032626 /nfs/dbraw/zinc/03/26/26/403032626.db2.gz DARNSQDVCRMVBO-XUWXXGDYSA-N 0 3 324.428 2.497 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281210088 403060931 /nfs/dbraw/zinc/06/09/31/403060931.db2.gz DBJJCLYFHDCGOE-BZSNNMDCSA-N 0 3 323.396 2.338 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCCN1CCN(CC)CC1 ZINC000268212997 403062536 /nfs/dbraw/zinc/06/25/36/403062536.db2.gz PKDIZXSDOVEWKA-UHFFFAOYSA-N 0 3 307.482 2.289 20 30 DEEDHN N#Cc1ccc(N2CCN(CCCC3CCOCC3)CC2)nc1 ZINC000274621026 403072250 /nfs/dbraw/zinc/07/22/50/403072250.db2.gz FVLUEWBRLCUSDJ-UHFFFAOYSA-N 0 3 314.433 2.282 20 30 DEEDHN C[C@@H](NC(=O)C1(C#N)CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000274638650 403073984 /nfs/dbraw/zinc/07/39/84/403073984.db2.gz QRMVSYCGCWVVJR-ZBFHGGJFSA-N 0 3 315.417 2.114 20 30 DEEDHN COc1cc(CNCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281634000 403077081 /nfs/dbraw/zinc/07/70/81/403077081.db2.gz IMVGZNAWQUMVQG-GASCZTMLSA-N 0 3 317.433 2.156 20 30 DEEDHN CCC[C@@H](CCO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281748537 403087967 /nfs/dbraw/zinc/08/79/67/403087967.db2.gz YERICSSEZQDEPU-DLBZAZTESA-N 0 3 313.401 2.155 20 30 DEEDHN COc1cc(CNCCN(C)CC(F)(F)F)ccc1C#N ZINC000281828379 403096099 /nfs/dbraw/zinc/09/60/99/403096099.db2.gz XLMYLOPFRHSXBB-UHFFFAOYSA-N 0 3 301.312 2.151 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C(C)(C)O)C1)C(C)C ZINC000275791707 403124281 /nfs/dbraw/zinc/12/42/81/403124281.db2.gz VWUXJOZLXJUCJP-INIZCTEOSA-N 0 3 323.481 2.097 20 30 DEEDHN COc1cc(CN(CCC(N)=O)Cc2ccccc2)ccc1C#N ZINC000282173585 403129394 /nfs/dbraw/zinc/12/93/94/403129394.db2.gz FDSOUVRAKIAGLH-UHFFFAOYSA-N 0 3 323.396 2.444 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-c2cn[nH]c2)CC1 ZINC000275979140 403136979 /nfs/dbraw/zinc/13/69/79/403136979.db2.gz FCSKGKULTAWYQM-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN COC(=O)C1=C(C)O[C@@H](CN(C)Cc2cccc(C#N)c2)C1 ZINC000270435486 403191226 /nfs/dbraw/zinc/19/12/26/403191226.db2.gz KAUWIIBDUKAXGA-OAHLLOKOSA-N 0 3 300.358 2.226 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCOCC(F)F)C(C)C ZINC000277191579 403198112 /nfs/dbraw/zinc/19/81/12/403198112.db2.gz DHDJOVHUDKCSCX-CQSZACIVSA-N 0 3 318.408 2.473 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](NCCOc1ccccc1C#N)C(N)=O ZINC000292085110 403286187 /nfs/dbraw/zinc/28/61/87/403286187.db2.gz DWUJKALWLWDROT-KBXCAEBGSA-N 0 3 323.396 2.184 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCN(C)CC1 ZINC000298061535 403312200 /nfs/dbraw/zinc/31/22/00/403312200.db2.gz BFYIOENJLPXBSH-HNNXBMFYSA-N 0 3 321.490 2.289 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN1C ZINC000331126201 403334803 /nfs/dbraw/zinc/33/48/03/403334803.db2.gz QMGNKENWDUEZGS-HIFRSBDPSA-N 0 3 315.417 2.315 20 30 DEEDHN CCS[C@H]1CCC[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000285611915 403338841 /nfs/dbraw/zinc/33/88/41/403338841.db2.gz CLLDPZSECRCUET-CVEARBPZSA-N 0 3 317.458 2.438 20 30 DEEDHN N#CCOc1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000292935113 403383445 /nfs/dbraw/zinc/38/34/45/403383445.db2.gz HIXRMANBHQPHLK-UHFFFAOYSA-N 0 3 302.374 2.318 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)COCC(F)(F)F)C(C)C ZINC000298482972 403392307 /nfs/dbraw/zinc/39/23/07/403392307.db2.gz DVWCWHRYUCKVQW-CYBMUJFWSA-N 0 3 322.371 2.380 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)N(C)CC2CCN(C)CC2)c1 ZINC000293238463 403422606 /nfs/dbraw/zinc/42/26/06/403422606.db2.gz YNBZOOLIQBYUKG-UHFFFAOYSA-N 0 3 314.433 2.038 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000343056748 403447424 /nfs/dbraw/zinc/44/74/24/403447424.db2.gz ZTEYYNQISRRVMG-PVAVHDDUSA-N 0 3 302.418 2.182 20 30 DEEDHN CN(C)CCOc1ccc(CNC(=O)c2ccc(C#N)o2)cc1 ZINC000339845428 403468699 /nfs/dbraw/zinc/46/86/99/403468699.db2.gz SJDPOEMZOIRTDU-UHFFFAOYSA-N 0 3 313.357 2.022 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)C(C)C#N)N1CCCC1 ZINC000345674363 403431657 /nfs/dbraw/zinc/43/16/57/403431657.db2.gz VKDSWRCLKBDSKP-ZFWWWQNUSA-N 0 3 301.390 2.108 20 30 DEEDHN C#CCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000286475670 403531379 /nfs/dbraw/zinc/53/13/79/403531379.db2.gz LDOGKTQWLOZQDA-OAHLLOKOSA-N 0 3 306.356 2.235 20 30 DEEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccnc(C#N)c1 ZINC000332201435 403513667 /nfs/dbraw/zinc/51/36/67/403513667.db2.gz GCMFQWQWCICYNC-KRWDZBQOSA-N 0 3 320.396 2.476 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000293867142 403586091 /nfs/dbraw/zinc/58/60/91/403586091.db2.gz BQEVYWVEBFFYFL-QGZVFWFLSA-N 0 3 302.418 2.260 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000293884878 403590489 /nfs/dbraw/zinc/59/04/89/403590489.db2.gz CYXDMHIOEBELDN-UHFFFAOYSA-N 0 3 306.381 2.054 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(CCn3cccn3)CC2)c1 ZINC000299664850 403563967 /nfs/dbraw/zinc/56/39/67/403563967.db2.gz SJHZRKSSPUOVFU-UHFFFAOYSA-N 0 3 323.400 2.105 20 30 DEEDHN CN1CCC[C@@H](N2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000301263738 403608636 /nfs/dbraw/zinc/60/86/36/403608636.db2.gz FXUOJSRHYVFERV-MRXNPFEDSA-N 0 3 318.852 2.428 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)ncc1Cl ZINC000294000214 403621278 /nfs/dbraw/zinc/62/12/78/403621278.db2.gz ORPMEKIWWKKARD-UHFFFAOYSA-N 0 3 300.189 2.073 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(C#N)cc3F)[C@H]2C1 ZINC000566996405 292282468 /nfs/dbraw/zinc/28/24/68/292282468.db2.gz ZDEADROKHRVZSC-BQFCYCMXSA-N 0 3 315.392 2.434 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000347120367 403616606 /nfs/dbraw/zinc/61/66/06/403616606.db2.gz YADPTRXZLMUEBW-GFCCVEGCSA-N 0 3 308.341 2.110 20 30 DEEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000293988713 403618046 /nfs/dbraw/zinc/61/80/46/403618046.db2.gz FHHHTFVIFREYRC-CYBMUJFWSA-N 0 3 310.419 2.061 20 30 DEEDHN N#C[C@@H]1CN(C(=O)C23CCCN2CCC3)C[C@H]1c1ccccc1 ZINC000294012100 403623598 /nfs/dbraw/zinc/62/35/98/403623598.db2.gz YHADREOBSBZFTH-SJORKVTESA-N 0 3 309.413 2.381 20 30 DEEDHN CC(C)N(CCOCCC#N)C[C@H](O)COc1ccccc1 ZINC000294014885 403624327 /nfs/dbraw/zinc/62/43/27/403624327.db2.gz GYNKLOPKHBTYBG-INIZCTEOSA-N 0 3 306.406 2.067 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(OC(C)C)c1 ZINC000294013337 403624546 /nfs/dbraw/zinc/62/45/46/403624546.db2.gz PVLXOULBQFGORG-UHFFFAOYSA-N 0 3 302.418 2.088 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000294009195 403623071 /nfs/dbraw/zinc/62/30/71/403623071.db2.gz PLAMGNRPLCZBJN-UHFFFAOYSA-N 0 3 304.821 2.443 20 30 DEEDHN N#CCOc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000287619002 403636187 /nfs/dbraw/zinc/63/61/87/403636187.db2.gz ZPXKZGBKCSWFOW-INIZCTEOSA-N 0 3 313.401 2.033 20 30 DEEDHN N#Cc1ccnc(N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301651312 403659759 /nfs/dbraw/zinc/65/97/59/403659759.db2.gz JVVSBKREMWYLJC-GFCCVEGCSA-N 0 3 301.350 2.290 20 30 DEEDHN C=CCN(CCOCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343630830 403670750 /nfs/dbraw/zinc/67/07/50/403670750.db2.gz AFMXAINMAKCECN-AWEZNQCLSA-N 0 3 301.394 2.248 20 30 DEEDHN C=CCN1CC[C@H](N(C[C@H](C)c2ccccc2)[C@H](C)CO)C1=O ZINC000347376246 403685655 /nfs/dbraw/zinc/68/56/55/403685655.db2.gz SBIYDHUMFDRRMD-JZXOWHBKSA-N 0 3 316.445 2.260 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1 ZINC000288021571 403709961 /nfs/dbraw/zinc/70/99/61/403709961.db2.gz CFVIZESNVKBSFE-CZUORRHYSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)CN(C)C ZINC000288039279 403713713 /nfs/dbraw/zinc/71/37/13/403713713.db2.gz OIOQLJVEPBSMTO-AWEZNQCLSA-N 0 3 300.406 2.206 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000343815195 403744381 /nfs/dbraw/zinc/74/43/81/403744381.db2.gz XTVXOPUITNPSHP-HOTGVXAUSA-N 0 3 311.470 2.123 20 30 DEEDHN COCCCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354466112 403817396 /nfs/dbraw/zinc/81/73/96/403817396.db2.gz MJSJNCKZHFMTAG-HNNXBMFYSA-N 0 3 311.341 2.382 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccncn1 ZINC000354471841 403820115 /nfs/dbraw/zinc/82/01/15/403820115.db2.gz UHSTYISZEHEYQZ-LLVKDONJSA-N 0 3 324.365 2.401 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccncn1 ZINC000354476276 403826797 /nfs/dbraw/zinc/82/67/97/403826797.db2.gz ZCXVZAVHQHHCQQ-JTQLQIEISA-N 0 3 310.338 2.011 20 30 DEEDHN COC[C@H](NCCC(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000288883001 403787287 /nfs/dbraw/zinc/78/72/87/403787287.db2.gz RHOAJYSZUWHVQJ-HNNXBMFYSA-N 0 3 323.824 2.379 20 30 DEEDHN COc1ccc(CNC[C@@H](O)Cc2cccc(F)c2)cc1C#N ZINC000295200541 403795201 /nfs/dbraw/zinc/79/52/01/403795201.db2.gz YPUCKKHWRSOUFL-KRWDZBQOSA-N 0 3 314.360 2.399 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](OC)C1)C(C)C ZINC000361749983 403842850 /nfs/dbraw/zinc/84/28/50/403842850.db2.gz WBZPIUWPBINRAF-CVEARBPZSA-N 0 3 309.454 2.115 20 30 DEEDHN N#CCC1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000362352725 403946498 /nfs/dbraw/zinc/94/64/98/403946498.db2.gz DOZJOLTZBWEJMC-MRXNPFEDSA-N 0 3 312.417 2.254 20 30 DEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(I)cc1 ZINC000289791389 403998837 /nfs/dbraw/zinc/99/88/37/403998837.db2.gz NFDATLPDZAAJLO-JOYOIKCWSA-N 0 3 317.170 2.489 20 30 DEEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000351913057 404001807 /nfs/dbraw/zinc/00/18/07/404001807.db2.gz OTOKQTIGMWRJNR-OAHLLOKOSA-N 0 3 324.465 2.465 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411886888 404004747 /nfs/dbraw/zinc/00/47/47/404004747.db2.gz BMCRHQAMVCODLM-QGTPRVQTSA-N 0 3 314.429 2.478 20 30 DEEDHN C[C@@H]1CN(CCN2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000369116180 403971495 /nfs/dbraw/zinc/97/14/95/403971495.db2.gz LKCRFORLOPYQNG-MRXNPFEDSA-N 0 3 311.429 2.368 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccnc(C#N)n2)C1 ZINC000323943314 404096872 /nfs/dbraw/zinc/09/68/72/404096872.db2.gz URDYKDVCTULZMN-HNNXBMFYSA-N 0 3 307.401 2.307 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000363073945 404064520 /nfs/dbraw/zinc/06/45/20/404064520.db2.gz FWPIEAVIDVADQI-GDBMZVCRSA-N 0 3 313.401 2.022 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc(Br)c1 ZINC000328128654 404104372 /nfs/dbraw/zinc/10/43/72/404104372.db2.gz VJCIBDHJMBGRER-UHFFFAOYSA-N 0 3 309.207 2.134 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000328129957 404104854 /nfs/dbraw/zinc/10/48/54/404104854.db2.gz WBQWFZCQJSVYBD-CHWSQXEVSA-N 0 3 304.356 2.426 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000290265697 404105322 /nfs/dbraw/zinc/10/53/22/404105322.db2.gz TUNSOUKORGDLPG-CQSZACIVSA-N 0 3 323.462 2.098 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000328129959 404105683 /nfs/dbraw/zinc/10/56/83/404105683.db2.gz WBQWFZCQJSVYBD-QWHCGFSZSA-N 0 3 304.356 2.426 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)NCCc2c[nH]c3ncccc23)C1 ZINC000328652417 404124818 /nfs/dbraw/zinc/12/48/18/404124818.db2.gz KLARBEHIIFZFNE-CQSZACIVSA-N 0 3 315.421 2.093 20 30 DEEDHN CO[C@H](C(=O)N[C@H]1CCN(C2CCCC2)C1)c1cnn(C)c1 ZINC000328684635 404131046 /nfs/dbraw/zinc/13/10/46/404131046.db2.gz WVWNYPYCSXZZSY-ZFWWWQNUSA-N 0 3 306.410 2.081 20 30 DEEDHN CN(C)C1(CNC(=O)[C@H]2CCNC(=O)C2)Cc2ccccc2C1 ZINC000328693526 404133362 /nfs/dbraw/zinc/13/33/62/404133362.db2.gz SENDKFYRRMLMKY-ZDUSSCGKSA-N 0 3 315.417 2.409 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328707585 404134246 /nfs/dbraw/zinc/13/42/46/404134246.db2.gz LXAQMVXGTLHHKB-HUUCEWRRSA-N 0 3 309.454 2.324 20 30 DEEDHN CC(C(=O)NCC1(C2CC2)CC1)S(=O)(=O)C1CCOCC1 ZINC000328657607 404125457 /nfs/dbraw/zinc/12/54/57/404125457.db2.gz PJNVPSLMHVNSCC-LLVKDONJSA-N 0 3 315.435 2.115 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2coc(C3CCOCC3)n2)CCN1C ZINC000328668078 404127264 /nfs/dbraw/zinc/12/72/64/404127264.db2.gz DYQYKXXWLCAZDX-YPMHNXCESA-N 0 3 307.394 2.356 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(C)C ZINC000349253112 404140562 /nfs/dbraw/zinc/14/05/62/404140562.db2.gz OIOASOAFHPCQQR-CQSZACIVSA-N 0 3 307.438 2.358 20 30 DEEDHN C[C@H]1CN(Cc2cc(C#N)cs2)CCN1C1CCN(C)CC1 ZINC000349296825 404147846 /nfs/dbraw/zinc/14/78/46/404147846.db2.gz MWBJIZUZQOBBAE-AWEZNQCLSA-N 0 3 318.490 2.220 20 30 DEEDHN CC1(C)CN(CC(=O)NCC(=O)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000328880636 404167743 /nfs/dbraw/zinc/16/77/43/404167743.db2.gz VYRDCGKBXWICOD-UONOGXRCSA-N 0 3 307.438 2.076 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(CC)C1 ZINC000328931027 404176256 /nfs/dbraw/zinc/17/62/56/404176256.db2.gz HTCPYKKQIWSENE-RRFJBIMHSA-N 0 3 320.437 2.421 20 30 DEEDHN CC1CCN(C[C@H](O)CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000328946080 404179371 /nfs/dbraw/zinc/17/93/71/404179371.db2.gz JWJGFCUSQUYVLW-RBSFLKMASA-N 0 3 310.438 2.041 20 30 DEEDHN C[C@H]1OCC[C@]12CN(CCCC1(C#N)CCOCC1)C[C@@H](C)O2 ZINC000369708030 404202330 /nfs/dbraw/zinc/20/23/30/404202330.db2.gz YRNHVASEFXYZHI-NUJGCVRESA-N 0 3 322.449 2.355 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1OC ZINC000344597352 404250100 /nfs/dbraw/zinc/25/01/00/404250100.db2.gz IPELBRGTIHBIIQ-DZGCQCFKSA-N 0 3 318.417 2.473 20 30 DEEDHN CC(C)[C@H](O)C1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000329172503 404254364 /nfs/dbraw/zinc/25/43/64/404254364.db2.gz AGGYSIJRJJWHAH-CVEARBPZSA-N 0 3 324.465 2.383 20 30 DEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000329203846 404263463 /nfs/dbraw/zinc/26/34/63/404263463.db2.gz CVZMUJQRRFFEPA-NVXWUHKLSA-N 0 3 307.438 2.076 20 30 DEEDHN CC(=O)NC1CCC(NC(=O)NCC2=CCN(C)CC2)CC1 ZINC000329219428 404270183 /nfs/dbraw/zinc/27/01/83/404270183.db2.gz SNMSWFDLPRCEQP-UHFFFAOYSA-N 0 3 308.426 2.040 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1nnc(C2CC2)o1 ZINC000329233658 404272969 /nfs/dbraw/zinc/27/29/69/404272969.db2.gz HCKXHCGNTQQORF-VXGBXAGGSA-N 0 3 321.425 2.071 20 30 DEEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3c2OCO3)CCN1C ZINC000329481740 404350150 /nfs/dbraw/zinc/35/01/50/404350150.db2.gz VWNLLRGPGXZOMP-VXGBXAGGSA-N 0 3 305.378 2.375 20 30 DEEDHN CNC(=O)C1CCC(NC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000329314347 404299637 /nfs/dbraw/zinc/29/96/37/404299637.db2.gz RSPWJKUSCZWXCX-LRVUVFPRSA-N 0 3 322.453 2.286 20 30 DEEDHN NC(=O)N1CCC[C@H](CNC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000329340080 404307416 /nfs/dbraw/zinc/30/74/16/404307416.db2.gz RHZPLAQYPYHILC-TZMCWYRMSA-N 0 3 308.426 2.022 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1=CCN(C)CC1 ZINC000329360983 404314262 /nfs/dbraw/zinc/31/42/62/404314262.db2.gz YHQYATKZLOIUGU-HNKHHVNMSA-N 0 3 319.449 2.098 20 30 DEEDHN C[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)C1=CCN(C)CC1 ZINC000329698795 404428052 /nfs/dbraw/zinc/42/80/52/404428052.db2.gz FVINNBVTZBLSQW-NWANDNLSSA-N 0 3 320.437 2.134 20 30 DEEDHN CCc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1[O-] ZINC000291437314 404384435 /nfs/dbraw/zinc/38/44/35/404384435.db2.gz FVKKTMJBSZZLII-UHFFFAOYSA-N 0 3 303.406 2.262 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000352474195 404397002 /nfs/dbraw/zinc/39/70/02/404397002.db2.gz DURBLVLKWBZVGG-GOSISDBHSA-N 0 3 307.482 2.075 20 30 DEEDHN CN1CCC(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000291764417 404511132 /nfs/dbraw/zinc/51/11/32/404511132.db2.gz VWHCASZASITDIB-IBGZPJMESA-N 0 3 311.429 2.286 20 30 DEEDHN CCN1CCN([C@@H](C)CNC(=O)c2oc(C3CC3)nc2C)CC1 ZINC000329726465 404434137 /nfs/dbraw/zinc/43/41/37/404434137.db2.gz CESPZJBYTPQTLC-LBPRGKRZSA-N 0 3 320.437 2.191 20 30 DEEDHN C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329748651 404439231 /nfs/dbraw/zinc/43/92/31/404439231.db2.gz GYEYQTAMMVKEOC-MHEUCROKSA-N 0 3 308.422 2.141 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000344923475 404449317 /nfs/dbraw/zinc/44/93/17/404449317.db2.gz UOBPGLANDQBEDF-HNNXBMFYSA-N 0 3 307.482 2.216 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2(CO)CCC2)C1 ZINC000329779428 404449348 /nfs/dbraw/zinc/44/93/48/404449348.db2.gz LWUXMXYEIKBTDF-GDBMZVCRSA-N 0 3 317.433 2.241 20 30 DEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)C1(C#N)CCC1 ZINC000413966138 404460035 /nfs/dbraw/zinc/46/00/35/404460035.db2.gz YOPZUHIFVLTGAA-UHFFFAOYSA-N 0 3 317.389 2.268 20 30 DEEDHN C=CCNC(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000351476809 404593005 /nfs/dbraw/zinc/59/30/05/404593005.db2.gz NFLHUCBDPOBGST-MRXNPFEDSA-N 0 3 305.422 2.181 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccccc1F)C1CC1 ZINC000297313114 404549366 /nfs/dbraw/zinc/54/93/66/404549366.db2.gz IHZAVCFVPRTTMW-UHFFFAOYSA-N 0 3 317.408 2.455 20 30 DEEDHN CCCCCCCN1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000365129937 404561025 /nfs/dbraw/zinc/56/10/25/404561025.db2.gz ABDBQNHLXKXJKJ-OAHLLOKOSA-N 0 3 302.484 2.457 20 30 DEEDHN CNC(=O)c1cccc(CN2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1 ZINC000330373496 404641412 /nfs/dbraw/zinc/64/14/12/404641412.db2.gz DEKRFKCCQNLALM-SJKOYZFVSA-N 0 3 304.390 2.252 20 30 DEEDHN Cc1cccc(N2CCC(NCc3nc(C#N)cs3)CC2)n1 ZINC000352832920 404653712 /nfs/dbraw/zinc/65/37/12/404653712.db2.gz HQVVAOVFCRTMRF-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN CC(C)OC[C@@H](C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000373871349 404622389 /nfs/dbraw/zinc/62/23/89/404622389.db2.gz DGQCPUSNRDQAEY-PBHICJAKSA-N 0 3 315.417 2.062 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000330568918 404690298 /nfs/dbraw/zinc/69/02/98/404690298.db2.gz LYCSAZWZVWRZKJ-CABCVRRESA-N 0 3 314.433 2.301 20 30 DEEDHN COc1ccc(C(=O)C2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000357832835 404745838 /nfs/dbraw/zinc/74/58/38/404745838.db2.gz QWFXGCCFLNNROE-GFCCVEGCSA-N 0 3 300.358 2.276 20 30 DEEDHN COc1cc(CN[C@H]2CCC(=O)N[C@@H]2C(C)(C)C)ccc1C#N ZINC000353113834 404745940 /nfs/dbraw/zinc/74/59/40/404745940.db2.gz ARBPLAVAVQUGAG-YOEHRIQHSA-N 0 3 315.417 2.350 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000357998430 404750644 /nfs/dbraw/zinc/75/06/44/404750644.db2.gz BSXVHYUPVVRWCK-IINYFYTJSA-N 0 3 302.765 2.439 20 30 DEEDHN C=CC1CCN(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000358300518 404758824 /nfs/dbraw/zinc/75/88/24/404758824.db2.gz PALRBJLACZVYMQ-UHFFFAOYSA-N 0 3 311.495 2.421 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C[C@@H]2CCOC2)C2CC2)CC1 ZINC000358383591 404761130 /nfs/dbraw/zinc/76/11/30/404761130.db2.gz PJPJDWLBYRPAOK-HNNXBMFYSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)CCCC)cc1 ZINC000353003118 404717198 /nfs/dbraw/zinc/71/71/98/404717198.db2.gz YFSRESSOMFLSDF-CQSZACIVSA-N 0 3 304.394 2.450 20 30 DEEDHN COc1cc(CN2CCNC[C@H]2c2cccnc2)ccc1C#N ZINC000414734773 404719743 /nfs/dbraw/zinc/71/97/43/404719743.db2.gz KWMMTXNIBYKXMO-KRWDZBQOSA-N 0 3 308.385 2.108 20 30 DEEDHN N#Cc1ncn(CCNCc2cnc(-c3ccsc3)s2)n1 ZINC000353021229 404723004 /nfs/dbraw/zinc/72/30/04/404723004.db2.gz SGMHJFDLKASMMT-UHFFFAOYSA-N 0 3 316.415 2.125 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2cnccc2C#N)CN1Cc1ccccc1 ZINC000358859290 404777970 /nfs/dbraw/zinc/77/79/70/404777970.db2.gz WLXNVEQZDRZMNN-YOEHRIQHSA-N 0 3 320.396 2.346 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415023461 404789327 /nfs/dbraw/zinc/78/93/27/404789327.db2.gz MXHMWQRYQJQLFI-NEPJUHHUSA-N 0 3 302.378 2.171 20 30 DEEDHN CO[C@@]1(CNCc2cccc(OCCCC#N)c2)CCOC1 ZINC000359660610 404801068 /nfs/dbraw/zinc/80/10/68/404801068.db2.gz WKSQRDGLXVDFIV-QGZVFWFLSA-N 0 3 304.390 2.264 20 30 DEEDHN Cc1nc(N2CC[C@H](OCCN(C)C)C2)c(Cl)cc1C#N ZINC000360068617 404815301 /nfs/dbraw/zinc/81/53/01/404815301.db2.gz ALXNCHIXKMGLDS-ZDUSSCGKSA-N 0 3 308.813 2.072 20 30 DEEDHN CC#CCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000353405158 404824174 /nfs/dbraw/zinc/82/41/74/404824174.db2.gz IYEYRSIDRQERPS-UHFFFAOYSA-N 0 3 303.406 2.470 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@H]2c2ccco2)CC1 ZINC000377698995 404842830 /nfs/dbraw/zinc/84/28/30/404842830.db2.gz IQAYINGPPRGMAL-HNNXBMFYSA-N 0 3 319.405 2.013 20 30 DEEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000415306174 404844154 /nfs/dbraw/zinc/84/41/54/404844154.db2.gz HXNLFAOVQYBCHQ-ZANVPECISA-N 0 3 322.796 2.446 20 30 DEEDHN N#Cc1ccsc1NC(=O)CNC1(CCO)CCCCC1 ZINC000353652676 404904297 /nfs/dbraw/zinc/90/42/97/404904297.db2.gz FKZGUHVCZBREAZ-UHFFFAOYSA-N 0 3 307.419 2.233 20 30 DEEDHN COC[C@]1(CN[C@@H]2CC[C@@H](C#N)C2)OCCc2ccccc21 ZINC000353581536 404870624 /nfs/dbraw/zinc/87/06/24/404870624.db2.gz ZSXKDWUKXHYXCU-KYJSFNMBSA-N 0 3 300.402 2.383 20 30 DEEDHN CC(C)N1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000435252404 404966594 /nfs/dbraw/zinc/96/65/94/404966594.db2.gz RPGGNZPFPILBNM-YOEHRIQHSA-N 0 3 311.429 2.435 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(Br)cc1 ZINC000424088336 405001456 /nfs/dbraw/zinc/00/14/56/405001456.db2.gz GUGKSKNWQBAIMR-ZDUSSCGKSA-N 0 3 324.222 2.129 20 30 DEEDHN CC(C)COc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424092077 405003135 /nfs/dbraw/zinc/00/31/35/405003135.db2.gz OFHVEVRSBXIEIS-HNNXBMFYSA-N 0 3 303.406 2.359 20 30 DEEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1ccc(OC)c(OC)c1 ZINC000424098442 405004906 /nfs/dbraw/zinc/00/49/06/405004906.db2.gz SWIFMJYQNIAKPF-ZDUSSCGKSA-N 0 3 305.378 2.078 20 30 DEEDHN COCCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1ccccc1 ZINC000424095444 405004941 /nfs/dbraw/zinc/00/49/41/405004941.db2.gz NTKPAZJFUZXPJE-HOCLYGCPSA-N 0 3 303.406 2.244 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCCC#N ZINC000424099289 405006062 /nfs/dbraw/zinc/00/60/62/405006062.db2.gz IXLMMPPFTRBSME-MRXNPFEDSA-N 0 3 301.390 2.231 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000424106409 405009133 /nfs/dbraw/zinc/00/91/33/405009133.db2.gz XFRWMRHDKQZNMW-JKSUJKDBSA-N 0 3 303.381 2.380 20 30 DEEDHN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424114249 405011135 /nfs/dbraw/zinc/01/11/35/405011135.db2.gz QNOLGXAJLVNFSO-NSHDSACASA-N 0 3 308.769 2.258 20 30 DEEDHN COc1ccc([C@H](C)CCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424116966 405011684 /nfs/dbraw/zinc/01/16/84/405011684.db2.gz CDQVWBTZESEPJQ-CZUORRHYSA-N 0 3 303.406 2.326 20 30 DEEDHN Cc1ccnc(-c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)n1 ZINC000424134581 405016793 /nfs/dbraw/zinc/01/67/93/405016793.db2.gz YIABBLAACXOSMT-HNNXBMFYSA-N 0 3 309.373 2.412 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000424163803 405026933 /nfs/dbraw/zinc/02/69/33/405026933.db2.gz ASGMZJAFDHPIQY-CHWSQXEVSA-N 0 3 313.323 2.470 20 30 DEEDHN Cc1c(CN[C@@H]2CC[C@H](C#N)C2)c(=O)n(-c2ccccc2)n1C ZINC000424193657 405035224 /nfs/dbraw/zinc/03/52/24/405035224.db2.gz KQRLYQSOKFVUJV-LSDHHAIUSA-N 0 3 310.401 2.266 20 30 DEEDHN CCCN(CCN(CC)CC)S(=O)(=O)CC1(CC#N)CC1 ZINC000451391993 404978400 /nfs/dbraw/zinc/97/84/00/404978400.db2.gz KRLFJSQRYXOUKU-UHFFFAOYSA-N 0 3 315.483 2.064 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCOc1ccc2ccccc2c1 ZINC000424067742 404992582 /nfs/dbraw/zinc/99/25/82/404992582.db2.gz XGPDNFYLUIBSFE-QGZVFWFLSA-N 0 3 311.385 2.356 20 30 DEEDHN CC1(C)Cc2nc(NC(=O)[C@H](N)CCCC#N)sc2C(=O)C1 ZINC000424076670 404996792 /nfs/dbraw/zinc/99/67/92/404996792.db2.gz MOGHEXVXBAUBNN-SECBINFHSA-N 0 3 320.418 2.258 20 30 DEEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)n(Cc2ccccc2)n1 ZINC000424089725 405001094 /nfs/dbraw/zinc/00/10/94/405001094.db2.gz WKILHBVDHOPWQH-HNNXBMFYSA-N 0 3 311.389 2.200 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](N)c1ccccc1CC ZINC000424482367 405105000 /nfs/dbraw/zinc/10/50/00/405105000.db2.gz TXOYZVYUBVFKCE-XIRDDKMYSA-N 0 3 317.433 2.139 20 30 DEEDHN CCCN(CC(=O)N(CC)CCC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000354226884 405111130 /nfs/dbraw/zinc/11/11/30/405111130.db2.gz XUPGTPBZXMXOMQ-DJIMGWMZSA-N 0 3 321.465 2.274 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2ccc(F)c(C#N)c2)CC1 ZINC000451996826 405121615 /nfs/dbraw/zinc/12/16/15/405121615.db2.gz YLHYXFMNFRRRIN-UHFFFAOYSA-N 0 3 318.440 2.203 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(CC)[C@@H]1CCOC1 ZINC000361586169 405146036 /nfs/dbraw/zinc/14/60/36/405146036.db2.gz GRJYWOZNOIDRMV-SJORKVTESA-N 0 3 305.418 2.266 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2c(F)cccc2C#N)C1 ZINC000354358273 405173685 /nfs/dbraw/zinc/17/36/85/405173685.db2.gz JPXLSZANXGKFET-PBHICJAKSA-N 0 3 315.392 2.183 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000438357937 405244041 /nfs/dbraw/zinc/24/40/41/405244041.db2.gz OVNYFHPPRGRAJR-UHFFFAOYSA-N 0 3 314.345 2.047 20 30 DEEDHN COc1cc(OC)cc(OCCCN(C)C(=O)C(C)C#N)c1 ZINC000440758892 405325569 /nfs/dbraw/zinc/32/55/69/405325569.db2.gz WPLNGEWVFNVGMJ-GFCCVEGCSA-N 0 3 306.362 2.091 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOCC2CCCC2)CC1 ZINC000454535925 405359963 /nfs/dbraw/zinc/35/99/63/405359963.db2.gz FWJKSCYLAAKKAA-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000429700812 405444256 /nfs/dbraw/zinc/44/42/56/405444256.db2.gz IXUWTEFDJLHCEP-QGZVFWFLSA-N 0 3 303.450 2.256 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000429715375 405445022 /nfs/dbraw/zinc/44/50/22/405445022.db2.gz ZSZCXDKZQUAQPX-UAGQMJEPSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000429717504 405445820 /nfs/dbraw/zinc/44/58/20/405445820.db2.gz CKSGKCLIJZBJAR-OAHLLOKOSA-N 0 3 319.449 2.462 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000448788806 405448497 /nfs/dbraw/zinc/44/84/97/405448497.db2.gz ZHZRDDREKWKYLN-WBVHZDCISA-N 0 3 320.408 2.307 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455773648 405448984 /nfs/dbraw/zinc/44/89/84/405448984.db2.gz BSHRFUSJRWUPHA-QMTHXVAHSA-N 0 3 321.812 2.457 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C#N)o1 ZINC000429828641 405451870 /nfs/dbraw/zinc/45/18/70/405451870.db2.gz FOCAYMKSBKUVAD-UHFFFAOYSA-N 0 3 322.368 2.227 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3c(cccc3C)O2)CC1 ZINC000448924111 405464646 /nfs/dbraw/zinc/46/46/46/405464646.db2.gz XKOKERPCUWJASV-QGZVFWFLSA-N 0 3 300.402 2.065 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000430662113 405483263 /nfs/dbraw/zinc/48/32/63/405483263.db2.gz RIVZKHKPWMVHQC-WBVHZDCISA-N 0 3 302.418 2.358 20 30 DEEDHN N#C[C@H]1CCC[C@H](NCCn2cc(Br)ccc2=O)C1 ZINC000449378558 405531537 /nfs/dbraw/zinc/53/15/37/405531537.db2.gz REHXGQYQDUFNPR-AAEUAGOBSA-N 0 3 324.222 2.283 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000456783054 405565676 /nfs/dbraw/zinc/56/56/76/405565676.db2.gz VLQFDEWGECUKLT-SFHVURJKSA-N 0 3 316.445 2.342 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@@H](C#N)C3)C2=O)cc1 ZINC000557573133 405608348 /nfs/dbraw/zinc/60/83/48/405608348.db2.gz MVIUUOFRBVPURQ-INMHGKMJSA-N 0 3 308.385 2.336 20 30 DEEDHN CCN1C[C@H](NCc2cccc(OCCCC#N)c2)CC1=O ZINC000449516503 405593700 /nfs/dbraw/zinc/59/37/00/405593700.db2.gz GLFOPJYXVFNOFX-OAHLLOKOSA-N 0 3 301.390 2.080 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000458812177 405603514 /nfs/dbraw/zinc/60/35/14/405603514.db2.gz QXECPNISTQJZAH-UHFFFAOYSA-N 0 3 311.470 2.341 20 30 DEEDHN C=CCn1c(CC)nnc1N1CCN(C2CCCCC2)CC1 ZINC000558677358 405688693 /nfs/dbraw/zinc/68/86/93/405688693.db2.gz IVORGFCMXYQYEL-UHFFFAOYSA-N 0 3 303.454 2.481 20 30 DEEDHN COc1cc(CN(CCO)C2CCSCC2)ccc1C#N ZINC000449682464 405690747 /nfs/dbraw/zinc/69/07/47/405690747.db2.gz HFXGZCIFIWIBMH-UHFFFAOYSA-N 0 3 306.431 2.257 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000582396293 405720134 /nfs/dbraw/zinc/72/01/34/405720134.db2.gz BWZMHTUAWWHGAD-CZUORRHYSA-N 0 3 301.390 2.229 20 30 DEEDHN C[C@H](C#N)OCCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000495746502 405933511 /nfs/dbraw/zinc/93/35/11/405933511.db2.gz NOKCGSIUTNFJSC-CQSZACIVSA-N 0 3 323.437 2.390 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000495877515 405938314 /nfs/dbraw/zinc/93/83/14/405938314.db2.gz QUVTYTMRCMSEGX-DTWKUNHWSA-N 0 3 323.315 2.108 20 30 DEEDHN Cc1sc(NC(=O)CNC(C)(C)CN(C)C)c(C#N)c1C ZINC000459548594 405950710 /nfs/dbraw/zinc/95/07/10/405950710.db2.gz MFBRPZOVTIVNIB-UHFFFAOYSA-N 0 3 308.451 2.105 20 30 DEEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)Cn1cccn1 ZINC000433232260 405904445 /nfs/dbraw/zinc/90/44/45/405904445.db2.gz ZULJCXSUTJVPQF-RDJZCZTQSA-N 0 3 310.401 2.408 20 30 DEEDHN Cc1c(C#N)c(N2CCCN([C@H](C)CO)CC2)nc2ccccc12 ZINC000450476397 405919670 /nfs/dbraw/zinc/91/96/70/405919670.db2.gz PJBDRZFQWITFGG-CQSZACIVSA-N 0 3 324.428 2.308 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000459755217 406033559 /nfs/dbraw/zinc/03/35/59/406033559.db2.gz JTSDINJTNUCUFC-DAXOMENPSA-N 0 3 313.401 2.432 20 30 DEEDHN N#Cc1cc2c(nc1NC[C@@H]1CCCN1CCCO)CCCC2 ZINC000450598457 405970515 /nfs/dbraw/zinc/97/05/15/405970515.db2.gz QRAQAAAIHKNJBR-INIZCTEOSA-N 0 3 314.433 2.091 20 30 DEEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCC2 ZINC000459771192 406039429 /nfs/dbraw/zinc/03/94/29/406039429.db2.gz RNGQTRSHNYRYLK-KGLIPLIRSA-N 0 3 317.389 2.254 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000451083911 406045444 /nfs/dbraw/zinc/04/54/44/406045444.db2.gz QCMJOXISDUNIOT-JKSUJKDBSA-N 0 3 307.482 2.216 20 30 DEEDHN Cc1cc([C@@H](NC[C@H](O)CN(C)CCC#N)C2CC2)ccc1F ZINC000565594386 406074144 /nfs/dbraw/zinc/07/41/44/406074144.db2.gz VPVRYLVSSYXRAJ-WMZOPIPTSA-N 0 3 319.424 2.381 20 30 DEEDHN Cc1cc([C@H](NC[C@H](O)CN(C)CCC#N)C2CC2)ccc1F ZINC000565594378 406074298 /nfs/dbraw/zinc/07/42/98/406074298.db2.gz VPVRYLVSSYXRAJ-FUHWJXTLSA-N 0 3 319.424 2.381 20 30 DEEDHN CC#CCN1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000472345186 406139751 /nfs/dbraw/zinc/13/97/51/406139751.db2.gz DSDKLOLETWACNC-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN Cc1ccccc1OCCCNCc1cnc2c(C#N)cnn2c1 ZINC000569368511 406245820 /nfs/dbraw/zinc/24/58/20/406245820.db2.gz QSHSOAPQCVCORB-UHFFFAOYSA-N 0 3 321.384 2.468 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000569093692 292389399 /nfs/dbraw/zinc/38/93/99/292389399.db2.gz XCFNIEATDFIQHG-OAHLLOKOSA-N 0 3 324.384 2.379 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000488517792 406326351 /nfs/dbraw/zinc/32/63/51/406326351.db2.gz PFGICRWGARYHGL-RDJZCZTQSA-N 0 3 302.418 2.216 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(c2nc3ccccn3c2C#N)C[C@@H](C)C1 ZINC000488719788 406340841 /nfs/dbraw/zinc/34/08/41/406340841.db2.gz OXIJELAULCKBSZ-ZNMIVQPWSA-N 0 3 309.417 2.372 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](O)CC ZINC000488314842 406310067 /nfs/dbraw/zinc/31/00/67/406310067.db2.gz CSOJJMSPCSJQLG-CQSZACIVSA-N 0 3 324.494 2.356 20 30 DEEDHN Cc1csc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1C#N ZINC000570388160 406386063 /nfs/dbraw/zinc/38/60/63/406386063.db2.gz PVQRWDKURQTNMF-YPMHNXCESA-N 0 3 304.419 2.486 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000523653568 406430550 /nfs/dbraw/zinc/43/05/50/406430550.db2.gz BMDWAIUZAFFYLH-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@@H](N)CCCC#N)Nc1ccccc1 ZINC000570276666 406371442 /nfs/dbraw/zinc/37/14/42/406371442.db2.gz OIXYXNYXICMLHY-JKSUJKDBSA-N 0 3 302.422 2.260 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C)C[C@H]1CC ZINC000570325799 406378024 /nfs/dbraw/zinc/37/80/24/406378024.db2.gz PMHYKANPONPMFU-MSOLQXFVSA-N 0 3 318.461 2.181 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2COc3ccc(Cl)cc32)CC1 ZINC000490831751 406497130 /nfs/dbraw/zinc/49/71/30/406497130.db2.gz XCSXYBGPECIKQB-HNNXBMFYSA-N 0 3 318.804 2.235 20 30 DEEDHN C=CCCCS(=O)(=O)N(CC)CCN1CCCCCC1 ZINC000489860457 406435495 /nfs/dbraw/zinc/43/54/95/406435495.db2.gz CQIMESWUWWDLGR-UHFFFAOYSA-N 0 3 302.484 2.480 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3oc(CO)cc3c2)CC1 ZINC000491126555 406532246 /nfs/dbraw/zinc/53/22/46/406532246.db2.gz PTWKXAHJCQSVNO-UHFFFAOYSA-N 0 3 312.369 2.209 20 30 DEEDHN C#CCNC(=O)C1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000491203442 406543183 /nfs/dbraw/zinc/54/31/83/406543183.db2.gz WDYDUXZODOWERM-AWEZNQCLSA-N 0 3 300.402 2.218 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640565109 406545783 /nfs/dbraw/zinc/54/57/83/406545783.db2.gz YEMHKKIYFXVTCT-SOUVJXGZSA-N 0 3 317.351 2.438 20 30 DEEDHN C#C[C@@H](CC)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000491219353 406547149 /nfs/dbraw/zinc/54/71/49/406547149.db2.gz DOSATYHIWQTBFC-AWEZNQCLSA-N 0 3 303.406 2.469 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000491253233 406554855 /nfs/dbraw/zinc/55/48/55/406554855.db2.gz MJIAGHTVZUTADX-ZDUSSCGKSA-N 0 3 321.396 2.150 20 30 DEEDHN CC(C#N)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000491461521 406597298 /nfs/dbraw/zinc/59/72/98/406597298.db2.gz FKJRCSCKNDKDFC-GFCCVEGCSA-N 0 3 309.410 2.252 20 30 DEEDHN C#C[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000491536118 406613850 /nfs/dbraw/zinc/61/38/50/406613850.db2.gz HWRVABMNWRYYAS-WMZOPIPTSA-N 0 3 315.392 2.237 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491568449 406626024 /nfs/dbraw/zinc/62/60/24/406626024.db2.gz MINKXMDEELSNGA-AGIUHOORSA-N 0 3 309.410 2.298 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000491671439 406661854 /nfs/dbraw/zinc/66/18/54/406661854.db2.gz WUCLWYPEJKIOJB-HOCLYGCPSA-N 0 3 301.365 2.036 20 30 DEEDHN C=CCn1c(C)cc(C(=O)Cn2cc([C@@H](N)CC)nn2)c1C ZINC000640799981 406667770 /nfs/dbraw/zinc/66/77/70/406667770.db2.gz LUYXACVCLNJWDZ-AWEZNQCLSA-N 0 3 301.394 2.175 20 30 DEEDHN C#CCN1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000491747245 406700192 /nfs/dbraw/zinc/70/01/92/406700192.db2.gz PPTFIRIMUKZJNK-CABCVRRESA-N 0 3 308.422 2.014 20 30 DEEDHN C#CCNC(=O)CCNCc1ccccc1OCCC(C)C ZINC000491638823 406644517 /nfs/dbraw/zinc/64/45/17/406644517.db2.gz WKQDKTZCNSMVAH-UHFFFAOYSA-N 0 3 302.418 2.341 20 30 DEEDHN C#CCNC(=O)C1CCN(C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000491815785 406733950 /nfs/dbraw/zinc/73/39/50/406733950.db2.gz LSTQSMMRVDSQFV-ZDUSSCGKSA-N 0 3 303.233 2.032 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640920625 406741598 /nfs/dbraw/zinc/74/15/98/406741598.db2.gz PARRNLUJSYRILI-GXTWGEPZSA-N 0 3 305.426 2.086 20 30 DEEDHN COc1cccc(C[C@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000574564422 406784058 /nfs/dbraw/zinc/78/40/58/406784058.db2.gz HLKNNDHOBDTQOH-NVXWUHKLSA-N 0 3 315.417 2.250 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000491929661 406781255 /nfs/dbraw/zinc/78/12/55/406781255.db2.gz CUTJTKNRUSEPPT-UPJWGTAASA-N 0 3 309.410 2.346 20 30 DEEDHN COc1cccc(C[C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000574564424 406783631 /nfs/dbraw/zinc/78/36/31/406783631.db2.gz HLKNNDHOBDTQOH-WBVHZDCISA-N 0 3 315.417 2.250 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000554142238 406786063 /nfs/dbraw/zinc/78/60/63/406786063.db2.gz QQYZPCBLOKROCO-INIZCTEOSA-N 0 3 303.793 2.379 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NCc1ccccc1CN(C)C ZINC000555086443 406832890 /nfs/dbraw/zinc/83/28/90/406832890.db2.gz KDEQODIOYXSTOW-UHFFFAOYSA-N 0 3 308.385 2.253 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)c1C ZINC000644735136 407177339 /nfs/dbraw/zinc/17/73/39/407177339.db2.gz QRDPIHAQALHOEV-WBVHZDCISA-N 0 3 301.434 2.110 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1OC ZINC000644822530 407200358 /nfs/dbraw/zinc/20/03/58/407200358.db2.gz UPKDLPJAECLGNB-HUUCEWRRSA-N 0 3 316.401 2.036 20 30 DEEDHN C[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H](c1ccccc1)N(C)C ZINC000288031749 286946656 /nfs/dbraw/zinc/94/66/56/286946656.db2.gz MWHNYFADDDGYGM-FMKPAKJESA-N 0 3 302.422 2.479 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC(C)(C)C ZINC000133756009 196333745 /nfs/dbraw/zinc/33/37/45/196333745.db2.gz AXQPPCARYXRZTG-UHFFFAOYSA-N 0 3 302.422 2.430 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)[C@H]1C ZINC001088889538 782022443 /nfs/dbraw/zinc/02/24/43/782022443.db2.gz XMNYCGJLNXMGMS-ZBFHGGJFSA-N 0 3 322.412 2.293 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)[C@H]1C ZINC001088889280 782022785 /nfs/dbraw/zinc/02/27/85/782022785.db2.gz JBPKIMMYBFTBRT-APWZRJJASA-N 0 3 323.440 2.279 20 30 DEEDHN O=C(/C=N/OCCN1CCCCC1)Nc1ccc(F)cc1F ZINC000190090887 225073644 /nfs/dbraw/zinc/07/36/44/225073644.db2.gz VYKBRDWNJONDPL-WOJGMQOQSA-N 0 3 311.332 2.392 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000193265996 225154806 /nfs/dbraw/zinc/15/48/06/225154806.db2.gz BZNXREAAISFKGU-DOMZBBRYSA-N 0 3 300.406 2.341 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)CCN1C ZINC000329730034 225920720 /nfs/dbraw/zinc/92/07/20/225920720.db2.gz PJMSEOKPPKZRPR-ZYHUDNBSSA-N 0 3 303.362 2.454 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[C@H](C)O)C1 ZINC000331124613 226061670 /nfs/dbraw/zinc/06/16/70/226061670.db2.gz CUFDHPGIVRNODC-ZMSDIMECSA-N 0 3 319.449 2.439 20 30 DEEDHN CN(C(=O)NCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000331173156 226066266 /nfs/dbraw/zinc/06/62/66/226066266.db2.gz WFHVVTJMCIRKCR-UHFFFAOYSA-N 0 3 300.406 2.410 20 30 DEEDHN C[C@H](O)CC(C)(C)CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000331296484 226077692 /nfs/dbraw/zinc/07/76/92/226077692.db2.gz AGZZQUPBBUWRQN-UONOGXRCSA-N 0 3 313.486 2.408 20 30 DEEDHN CN(C)C(=O)C[C@@H](NCCCSCC#N)c1ccccc1 ZINC000341502672 226219022 /nfs/dbraw/zinc/21/90/22/226219022.db2.gz CLYNZEKEXBNFSR-OAHLLOKOSA-N 0 3 305.447 2.442 20 30 DEEDHN C[C@@]1(NCC(=O)N(CCC#N)CCC#N)CCCc2ccccc21 ZINC000341709483 226223188 /nfs/dbraw/zinc/22/31/88/226223188.db2.gz VGXGKVWBFNXNAT-LJQANCHMSA-N 0 3 324.428 2.484 20 30 DEEDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@H]1N(C)C ZINC000413198222 228290086 /nfs/dbraw/zinc/29/00/86/228290086.db2.gz BWCAKSLVIYUWHW-CABCVRRESA-N 0 3 320.418 2.257 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)s1 ZINC000422214082 230095220 /nfs/dbraw/zinc/09/52/20/230095220.db2.gz GSILHQUIDYKWQC-BXUZGUMPSA-N 0 3 306.435 2.101 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncnc2c1CCC2)C(C)C ZINC000549612447 424874169 /nfs/dbraw/zinc/87/41/69/424874169.db2.gz QSPKVQGPLQPJIB-QGZVFWFLSA-N 0 3 300.450 3.076 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2c1CCC2)C(C)C ZINC000549612446 424874183 /nfs/dbraw/zinc/87/41/83/424874183.db2.gz QSPKVQGPLQPJIB-KRWDZBQOSA-N 0 3 300.450 3.076 20 30 DEEDHN CC[C@H](C)n1nc(NC(=O)NC2CCN(CC)CC2)cc1C ZINC000330686346 424910044 /nfs/dbraw/zinc/91/00/44/424910044.db2.gz MGAJCMKTCFRYGC-LBPRGKRZSA-N 0 3 307.442 2.973 20 30 DEEDHN Cc1cc(NC(=O)CCN[C@@H]2CCCc3cc(C#N)ccc32)no1 ZINC000566910452 424912216 /nfs/dbraw/zinc/91/22/16/424912216.db2.gz DNLIBWJOFOLXFD-MRXNPFEDSA-N 0 3 324.384 2.851 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000574001494 424941481 /nfs/dbraw/zinc/94/14/81/424941481.db2.gz WMUVIBMZUCRMHP-GDBMZVCRSA-N 0 3 307.401 2.837 20 30 DEEDHN C[C@@H](CN(C)C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000343815298 424983765 /nfs/dbraw/zinc/98/37/65/424983765.db2.gz YTQHYJFNXPMQQL-ZDUSSCGKSA-N 0 3 311.433 2.846 20 30 DEEDHN CCC#C[C@H](C)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000649922565 425102883 /nfs/dbraw/zinc/10/28/83/425102883.db2.gz PWJCJSOHGVGKPI-RDJZCZTQSA-N 0 3 301.434 2.418 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@@]2(C)CC2(F)F)CC1 ZINC000660704101 425212471 /nfs/dbraw/zinc/21/24/71/425212471.db2.gz JRJRIDIXUPPLNS-AWEZNQCLSA-N 0 3 301.381 2.371 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654317378 425327214 /nfs/dbraw/zinc/32/72/14/425327214.db2.gz GXYKBEWWCZOEJE-LSDHHAIUSA-N 0 3 315.417 2.393 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C)[C@H]2CCO)CC1 ZINC000664015005 425289668 /nfs/dbraw/zinc/28/96/68/425289668.db2.gz CRADRZKFAHAQQM-DOTOQJQBSA-N 0 3 323.481 2.219 20 30 DEEDHN C=CCN(CCC(=O)Nc1cc(N)ccc1F)[C@H](C)COC ZINC000661243294 425359328 /nfs/dbraw/zinc/35/93/28/425359328.db2.gz ZVKBYWAJUYQDJW-GFCCVEGCSA-N 0 3 309.385 2.259 20 30 DEEDHN C=CCc1cc(CNC[C@@H](OC)[C@H]2CCOC2)cc(OC)c1O ZINC000657540960 425361116 /nfs/dbraw/zinc/36/11/16/425361116.db2.gz IQPMTXHSRQNAEP-DOTOQJQBSA-N 0 3 321.417 2.270 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654581858 425388871 /nfs/dbraw/zinc/38/88/71/425388871.db2.gz JVHQRHFMTHQBAA-FPCVCCKLSA-N 0 3 307.438 2.036 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661278900 425369014 /nfs/dbraw/zinc/36/90/14/425369014.db2.gz LLOHWAQJOQWRAR-XHSDSOJGSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCCNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000664626444 425424861 /nfs/dbraw/zinc/42/48/61/425424861.db2.gz SZFODQJDXARLEC-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2scc3c2OCCO3)CC1 ZINC000654748545 425434219 /nfs/dbraw/zinc/43/42/19/425434219.db2.gz GETFDSXITYYKLG-UHFFFAOYSA-N 0 3 322.430 2.290 20 30 DEEDHN C=CCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000658386652 425478361 /nfs/dbraw/zinc/47/83/61/425478361.db2.gz VGUGIAWZVWGRQM-UHFFFAOYSA-N 0 3 315.417 2.303 20 30 DEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNCC2)[C@@H](C)COC ZINC000659017254 425520945 /nfs/dbraw/zinc/52/09/45/425520945.db2.gz GPISQKVYWLEDKB-ZDUSSCGKSA-N 0 3 303.406 2.387 20 30 DEEDHN C=C[C@H](CO)NCCC(=O)Nc1cc(Cl)ccc1Cl ZINC000662168162 425580433 /nfs/dbraw/zinc/58/04/33/425580433.db2.gz VPAJMHJIJFQXNM-SNVBAGLBSA-N 0 3 303.189 2.459 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000655965837 425695413 /nfs/dbraw/zinc/69/54/13/425695413.db2.gz YIRNWBNHBMOLNT-INIZCTEOSA-N 0 3 322.497 2.010 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCc3ccccc3CC2)cc1 ZINC000304235326 268826027 /nfs/dbraw/zinc/82/60/27/268826027.db2.gz PLAWYXRZWJVQDD-LJQANCHMSA-N 0 3 322.408 2.399 20 30 DEEDHN COCCN(CCOc1ccc(C#N)cc1)[C@H]1CCO[C@@H]1C ZINC000489500230 274024548 /nfs/dbraw/zinc/02/45/48/274024548.db2.gz RTLFSBAPRMCKGE-PBHICJAKSA-N 0 3 304.390 2.063 20 30 DEEDHN N#Cc1cnc(NC2CCN([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000364035622 274929864 /nfs/dbraw/zinc/92/98/64/274929864.db2.gz HVGNULZCUQIEMI-ZDUSSCGKSA-N 0 3 306.797 2.272 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000299522838 275717294 /nfs/dbraw/zinc/71/72/94/275717294.db2.gz AMCMJRYYCRKOIW-QGZVFWFLSA-N 0 3 312.413 2.362 20 30 DEEDHN CCN(CCNC(=O)NC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000269698652 276346677 /nfs/dbraw/zinc/34/66/77/276346677.db2.gz PGVLKIWOTBAORO-UHFFFAOYSA-N 0 3 312.417 2.331 20 30 DEEDHN CN(C)C1(CNC(=O)N[C@H]2CCCC23CCOCC3)CCC1 ZINC000328850646 276765602 /nfs/dbraw/zinc/76/56/02/276765602.db2.gz WNURVDDOQFKDBA-AWEZNQCLSA-N 0 3 309.454 2.324 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000174200627 276862440 /nfs/dbraw/zinc/86/24/40/276862440.db2.gz MQKXLTFXYNSIHD-UHFFFAOYSA-N 0 3 304.438 2.314 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@@H]2c2ccco2)CC1 ZINC000377698996 276894548 /nfs/dbraw/zinc/89/45/48/276894548.db2.gz IQAYINGPPRGMAL-OAHLLOKOSA-N 0 3 319.405 2.013 20 30 DEEDHN CO[C@@H]1C[C@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451487803 277312087 /nfs/dbraw/zinc/31/20/87/277312087.db2.gz FUNNTJKQIRERJP-UONOGXRCSA-N 0 3 307.438 2.074 20 30 DEEDHN COC(=O)CCN1CCN(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411476052 277318364 /nfs/dbraw/zinc/31/83/64/277318364.db2.gz BGHPCZMZHCEJHZ-INIZCTEOSA-N 0 3 321.465 2.420 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000058884889 277379808 /nfs/dbraw/zinc/37/98/08/277379808.db2.gz YWLOBFNPURKFPY-HNNXBMFYSA-N 0 3 317.433 2.372 20 30 DEEDHN CC(C)CN1CCC(NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000330021127 277382885 /nfs/dbraw/zinc/38/28/85/277382885.db2.gz XHXMOOZFQHCTLR-AWEZNQCLSA-N 0 3 316.467 2.031 20 30 DEEDHN CSCC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)N(C)C ZINC000353648419 277511616 /nfs/dbraw/zinc/51/16/16/277511616.db2.gz AGELAELKGFSGQH-JKSUJKDBSA-N 0 3 317.458 2.345 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccccc1C)C1CC1 ZINC000343588116 277866489 /nfs/dbraw/zinc/86/64/89/277866489.db2.gz HZOYKOFGEMTXMO-INIZCTEOSA-N 0 3 301.390 2.048 20 30 DEEDHN COc1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C2CC2)cc1 ZINC000346953314 277926254 /nfs/dbraw/zinc/92/62/54/277926254.db2.gz WILFBAIQKQFRSO-KRWDZBQOSA-N 0 3 313.401 2.298 20 30 DEEDHN CC(C#N)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000331384084 278132679 /nfs/dbraw/zinc/13/26/79/278132679.db2.gz AKWNKNAZGNLIOU-SECBINFHSA-N 0 3 309.163 2.330 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000355939153 278189343 /nfs/dbraw/zinc/18/93/43/278189343.db2.gz JNHSTGKGBXVRBR-HUUCEWRRSA-N 0 3 306.454 2.442 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)N(CC)CC)c1ccc(C#N)cc1 ZINC000447529381 288042241 /nfs/dbraw/zinc/04/22/41/288042241.db2.gz LVJCDVBJPZTJGF-INIZCTEOSA-N 0 3 323.462 2.271 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C[C@@H](C)O)C1CCCCC1 ZINC000303375778 280100818 /nfs/dbraw/zinc/10/08/18/280100818.db2.gz OAOZUPJNJHCRHB-RHSMWYFYSA-N 0 3 309.454 2.056 20 30 DEEDHN C[S@@](=O)CCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352796182 280178510 /nfs/dbraw/zinc/17/85/10/280178510.db2.gz KHEXNSACGGFHIR-HXUWFJFHSA-N 0 3 304.337 2.435 20 30 DEEDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000330197169 289036031 /nfs/dbraw/zinc/03/60/31/289036031.db2.gz RKRYVKPAGBYTNI-ZHCJQAHYSA-N 0 3 323.481 2.256 20 30 DEEDHN CN(C)C[C@@H](NC(=O)NCCCCC#N)c1ccc(F)cc1 ZINC000287324901 289187608 /nfs/dbraw/zinc/18/76/08/289187608.db2.gz HNSIGBJKUGJBHM-OAHLLOKOSA-N 0 3 306.385 2.421 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000175224979 294869834 /nfs/dbraw/zinc/86/98/34/294869834.db2.gz WQRCGNIFAMDBSM-KRWDZBQOSA-N 0 3 308.385 2.453 20 30 DEEDHN C#CCN(C(=O)N[C@@H](C)c1ncccc1C)C1CCN(C)CC1 ZINC001349370233 1151244954 /nfs/dbraw/zinc/24/49/54/1151244954.db2.gz VHNPRDSBZCLDCE-HNNXBMFYSA-N 0 3 314.433 2.190 20 30 DEEDHN CN1CCC[C@@H](CNc2ccnc(C#N)n2)[C@H]1c1cccs1 ZINC000574464194 326157715 /nfs/dbraw/zinc/15/77/15/326157715.db2.gz AQIREIPDMNZERC-LRDDRELGSA-N 0 3 313.430 2.327 20 30 DEEDHN Cn1c(NC(=O)[C@@H](N)CCCC#N)nc2cccc(Cl)c21 ZINC000580324048 333164536 /nfs/dbraw/zinc/16/45/36/333164536.db2.gz WIHFDLWNEFKKFI-JTQLQIEISA-N 0 3 305.769 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCc2sccc21 ZINC000296975435 335150430 /nfs/dbraw/zinc/15/04/30/335150430.db2.gz RSBCAQZVNBXZPF-CQSZACIVSA-N 0 3 305.447 2.380 20 30 DEEDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C1(C)C ZINC000571224240 333685151 /nfs/dbraw/zinc/68/51/51/333685151.db2.gz NPFIVRKJEBNCLE-MELADBBJSA-N 0 3 307.438 2.119 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000050026568 334362420 /nfs/dbraw/zinc/36/24/20/334362420.db2.gz ZQWFSIVWJRTRGL-UHFFFAOYSA-N 0 3 322.355 2.249 20 30 DEEDHN Cc1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cn12 ZINC000352112098 336195459 /nfs/dbraw/zinc/19/54/59/336195459.db2.gz ADQULLHTXNJQPB-GFCCVEGCSA-N 0 3 316.324 2.404 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCC1(CC#N)CC1)Cc1ccccc1 ZINC000362346027 336793241 /nfs/dbraw/zinc/79/32/41/336793241.db2.gz JKIPAZICPGAFBF-INIZCTEOSA-N 0 3 314.433 2.152 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000582469694 337094325 /nfs/dbraw/zinc/09/43/25/337094325.db2.gz VXYBSRFBCUIPLZ-ILXRZTDVSA-N 0 3 309.454 2.140 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1C#N ZINC000583185315 337260205 /nfs/dbraw/zinc/26/02/05/337260205.db2.gz COWPXPLSZAGNOZ-NUEKZKHPSA-N 0 3 314.385 2.248 20 30 DEEDHN COC(=O)CCN(Cc1ccc(CC#N)cc1)C[C@@H]1CCCO1 ZINC000399240578 337314566 /nfs/dbraw/zinc/31/45/66/337314566.db2.gz TZAAOAXSOFVXCE-KRWDZBQOSA-N 0 3 316.401 2.297 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000515314034 337984787 /nfs/dbraw/zinc/98/47/87/337984787.db2.gz MQCJUFVXIKNDMZ-FZMZJTMJSA-N 0 3 308.813 2.402 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CO[C@@H](C)C1)C(C)C ZINC000515349179 337986654 /nfs/dbraw/zinc/98/66/54/337986654.db2.gz YSQXOCMWVBEDMG-HRCADAONSA-N 0 3 309.454 2.162 20 30 DEEDHN CN1CCC(NN=CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496606607 340008748 /nfs/dbraw/zinc/00/87/48/340008748.db2.gz SJLAMPFHRNSJKD-UHFFFAOYSA-N 0 3 324.469 2.303 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496765489 340012372 /nfs/dbraw/zinc/01/23/72/340012372.db2.gz FQGYLMNKFHYQNS-HUUCEWRRSA-N 0 3 310.438 2.378 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000496818770 340013748 /nfs/dbraw/zinc/01/37/48/340013748.db2.gz UVVABPAGDMDOGR-CABCVRRESA-N 0 3 321.421 2.396 20 30 DEEDHN N#CCCOCCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496930966 340016512 /nfs/dbraw/zinc/01/65/12/340016512.db2.gz PADMNZWXUCKMOX-INIZCTEOSA-N 0 3 323.437 2.440 20 30 DEEDHN CC(C#N)C(=O)NC[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496982299 340017522 /nfs/dbraw/zinc/01/75/22/340017522.db2.gz OOCXKWNFFSNVSN-FRRDWIJNSA-N 0 3 309.410 2.346 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCc2sc(Cl)cc21 ZINC000572512846 340134651 /nfs/dbraw/zinc/13/46/51/340134651.db2.gz LZGRBLVVGVXRHT-PWSUYJOCSA-N 0 3 313.854 2.185 20 30 DEEDHN C=CCOCCCN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 ZINC000548095588 341246766 /nfs/dbraw/zinc/24/67/66/341246766.db2.gz JAVAEQHHLFZATO-INIZCTEOSA-N 0 3 323.462 2.081 20 30 DEEDHN C=CCn1c(CCCC)nnc1N1CC[C@@H](N2CCCC2)C1 ZINC000548956826 341282267 /nfs/dbraw/zinc/28/22/67/341282267.db2.gz QMIJSDXPDGLWFY-OAHLLOKOSA-N 0 3 303.454 2.481 20 30 DEEDHN Cc1ccc2c(c1)[C@@H](NC[C@@H](O)CN(C)CCC#N)CCC2 ZINC000566130744 341548517 /nfs/dbraw/zinc/54/85/17/341548517.db2.gz RQKBOILIUPJQSX-AEFFLSMTSA-N 0 3 301.434 2.168 20 30 DEEDHN Cc1oc2ccccc2c1CNC[C@H](O)CN(C)CCC#N ZINC000573084727 341716543 /nfs/dbraw/zinc/71/65/43/341716543.db2.gz SIGAZDRUHCIOTF-AWEZNQCLSA-N 0 3 301.390 2.037 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000573677284 341735610 /nfs/dbraw/zinc/73/56/10/341735610.db2.gz WBPYRFOZOSXKAP-UAGQMJEPSA-N 0 3 300.402 2.437 20 30 DEEDHN Cc1ccc(NC(=O)NC[C@H](C)C#N)c(OCCN(C)C)c1 ZINC000176471113 341877919 /nfs/dbraw/zinc/87/79/19/341877919.db2.gz GFQAIQKAHPUQGN-CYBMUJFWSA-N 0 3 304.394 2.217 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001356997985 1152205841 /nfs/dbraw/zinc/20/58/41/1152205841.db2.gz ZIEQGANUPXCFPK-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)COC(C)(C)C ZINC001377011773 1159875217 /nfs/dbraw/zinc/87/52/17/1159875217.db2.gz FWAVJDOUFQDHPJ-LLVKDONJSA-N 0 3 321.259 2.195 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)[C@H]1C ZINC001089035010 782126744 /nfs/dbraw/zinc/12/67/44/782126744.db2.gz CNVASCTUOPZLHD-HIFRSBDPSA-N 0 3 316.401 2.227 20 30 DEEDHN Cc1cccnc1CNCC1(NC(=O)[C@@H](C)C#N)CCCC1 ZINC001378353116 1152303112 /nfs/dbraw/zinc/30/31/12/1152303112.db2.gz QRWBAIHZXANFTJ-AWEZNQCLSA-N 0 3 300.406 2.068 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@]23CCOC3)CCCC1 ZINC001378363500 1152305759 /nfs/dbraw/zinc/30/57/59/1152305759.db2.gz CFDRUCHPEIMSJQ-HIFRSBDPSA-N 0 3 312.841 2.184 20 30 DEEDHN C=C(C)CC[NH2+]CC1(NC(=O)c2cnc[n-]c2=O)CCCCC1 ZINC001329828682 1149001493 /nfs/dbraw/zinc/00/14/93/1149001493.db2.gz DPUOYJWNTMSDIG-UHFFFAOYSA-N 0 3 318.421 2.171 20 30 DEEDHN C[C@](CNCc1ccc(C#N)cc1F)(NC(=O)C1CC1)C1CC1 ZINC001378378892 1152309734 /nfs/dbraw/zinc/30/97/34/1152309734.db2.gz DHBULYCUKQPCBN-GOSISDBHSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)COc2ccsc2)C1 ZINC001377734968 1160799944 /nfs/dbraw/zinc/79/99/44/1160799944.db2.gz DXUGLCHRVCSNHE-UHFFFAOYSA-N 0 3 314.838 2.364 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2n[nH]c3ccccc32)[C@H]1C ZINC001089058898 782142729 /nfs/dbraw/zinc/14/27/29/782142729.db2.gz OHVDOCFOOVERNX-HIFRSBDPSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)[C@H]1C ZINC001089061812 782144817 /nfs/dbraw/zinc/14/48/17/782144817.db2.gz MQEHAHLTMOZJDU-CJNGLKHVSA-N 0 3 317.408 2.108 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001369568849 1149043828 /nfs/dbraw/zinc/04/38/28/1149043828.db2.gz YJTYZNGHVZGBEC-GJZGRUSLSA-N 0 3 324.428 2.435 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001378744823 1152432896 /nfs/dbraw/zinc/43/28/96/1152432896.db2.gz SBKJMDIXAGSDBI-DOMZBBRYSA-N 0 3 323.462 2.371 20 30 DEEDHN CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378746062 1152433594 /nfs/dbraw/zinc/43/35/94/1152433594.db2.gz ZJURQUYIHGEHBW-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC#Cc2cccc(F)c2)CCN1C ZINC000338728837 533888756 /nfs/dbraw/zinc/88/87/56/533888756.db2.gz UXMVIMWNFUKXMV-RHSMWYFYSA-N 0 3 317.408 2.301 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292992691 534047562 /nfs/dbraw/zinc/04/75/62/534047562.db2.gz OBOCMAYZGJPFBL-SUMWQHHRSA-N 0 3 311.389 2.040 20 30 DEEDHN Cc1noc([C@H]2CCCN2C(=O)NCCN2CCC(C)CC2)n1 ZINC000329189448 534479766 /nfs/dbraw/zinc/47/97/66/534479766.db2.gz CAILMPOMMFQNEA-CQSZACIVSA-N 0 3 321.425 2.161 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000451677726 534572419 /nfs/dbraw/zinc/57/24/19/534572419.db2.gz VKDWRSZEZOSOKV-SJORKVTESA-N 0 3 318.417 2.402 20 30 DEEDHN CN(CCNC(=O)CNc1ccc(C#N)cc1)Cc1ccccc1 ZINC000339212660 522845652 /nfs/dbraw/zinc/84/56/52/522845652.db2.gz FEXIEFWVPIXORM-UHFFFAOYSA-N 0 3 322.412 2.218 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000452369996 534674510 /nfs/dbraw/zinc/67/45/10/534674510.db2.gz FKASPSAYRPBNBC-SJLPKXTDSA-N 0 3 316.445 2.309 20 30 DEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cnccc1C#N ZINC000365045092 523087138 /nfs/dbraw/zinc/08/71/38/523087138.db2.gz OPNRIIVXXPZAAG-IBGZPJMESA-N 0 3 322.412 2.026 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](CO)CC1 ZINC000341049482 534740967 /nfs/dbraw/zinc/74/09/67/534740967.db2.gz NLVOISNTSGMPQZ-SJORKVTESA-N 0 3 300.402 2.380 20 30 DEEDHN C=CCC[C@@H](NC(=O)c1ccccc1CN(C)C)C(=O)OCC ZINC000456607723 534793242 /nfs/dbraw/zinc/79/32/42/534793242.db2.gz MRPDKPRDCYISLN-MRXNPFEDSA-N 0 3 318.417 2.376 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1cnc(C)n1C ZINC001378931219 1152495502 /nfs/dbraw/zinc/49/55/02/1152495502.db2.gz ZPRQIUPKPCABRF-BXUZGUMPSA-N 0 3 324.856 2.311 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@H](O)CN2CCc3ccccc3C2)n1 ZINC000127706388 525993575 /nfs/dbraw/zinc/99/35/75/525993575.db2.gz QVICJSKDSUIVQE-SFHVURJKSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cc(C)no2)CC1 ZINC000332051441 526427485 /nfs/dbraw/zinc/42/74/85/526427485.db2.gz XJUWVHMRIGLGJQ-OAHLLOKOSA-N 0 3 318.421 2.480 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2conc2CC)CC1 ZINC000296566761 526583722 /nfs/dbraw/zinc/58/37/22/526583722.db2.gz GZWFXAPNSYLTGP-UHFFFAOYSA-N 0 3 320.437 2.419 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(C3CC3)nc2)CC1 ZINC000294522311 526602286 /nfs/dbraw/zinc/60/22/86/526602286.db2.gz GVIICFQVUDTBKS-UHFFFAOYSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)[C@@H](C)CC)cc1 ZINC000262323222 526618957 /nfs/dbraw/zinc/61/89/57/526618957.db2.gz SEMWPOKRXRWURQ-FZMZJTMJSA-N 0 3 304.394 2.306 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@H]2C[C@]23CCc2ccccc23)CC1 ZINC000369756055 526723404 /nfs/dbraw/zinc/72/34/04/526723404.db2.gz CGZHYPUEZGYTQP-CTNGQTDRSA-N 0 3 322.452 2.494 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370503247 526735659 /nfs/dbraw/zinc/73/56/59/526735659.db2.gz QHMVWOSVSUPDRJ-OAHLLOKOSA-N 0 3 318.417 2.325 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000297445444 526807130 /nfs/dbraw/zinc/80/71/30/526807130.db2.gz JJFGLQKYZZDYBQ-AWEZNQCLSA-N 0 3 303.406 2.050 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000296806410 526821017 /nfs/dbraw/zinc/82/10/17/526821017.db2.gz IYDIOVKPVSVLJI-SHTZXODSSA-N 0 3 317.408 2.326 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc3ncccc3c2)CC1 ZINC000193940039 526928837 /nfs/dbraw/zinc/92/88/37/526928837.db2.gz SRRMLYANOGHTKG-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000295831078 527071698 /nfs/dbraw/zinc/07/16/98/527071698.db2.gz WCQNCAZXOODJHO-YJBOKZPZSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CCCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000448033125 527217714 /nfs/dbraw/zinc/21/77/14/527217714.db2.gz YPWFQNDXYHFUMT-IYBDPMFKSA-N 0 3 323.481 2.483 20 30 DEEDHN C#C[C@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)C(C)C ZINC000282369583 527394680 /nfs/dbraw/zinc/39/46/80/527394680.db2.gz WTXAMOCXELDXIL-KRWDZBQOSA-N 0 3 317.433 2.084 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376533996 527414670 /nfs/dbraw/zinc/41/46/70/527414670.db2.gz CRKGOKRJZNUROP-QGZVFWFLSA-N 0 3 322.474 2.394 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(C[C@@H](O)CCC=C)CC1(C)C ZINC000247292923 527456184 /nfs/dbraw/zinc/45/61/84/527456184.db2.gz HMHKKNKCHXNQEU-DLBZAZTESA-N 0 3 310.482 2.037 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000448563750 527486721 /nfs/dbraw/zinc/48/67/21/527486721.db2.gz OIHLSIZSPPXVFW-MSOLQXFVSA-N 0 3 314.429 2.358 20 30 DEEDHN C=CCC[C@H](O)CN1CCN(C[C@@H](O)CCC=C)C(C)(C)C1 ZINC000247292932 527491330 /nfs/dbraw/zinc/49/13/30/527491330.db2.gz HMHKKNKCHXNQEU-IRXDYDNUSA-N 0 3 310.482 2.037 20 30 DEEDHN C=CCCc1ccccc1NC(=O)NCCN(CC)CCO ZINC000337595901 527507521 /nfs/dbraw/zinc/50/75/21/527507521.db2.gz JOYZWRQXSCRVLM-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000378274564 527576839 /nfs/dbraw/zinc/57/68/39/527576839.db2.gz 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CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(F)c3Cl)[C@@H]2C1 ZINC000978760128 634414803 /nfs/dbraw/zinc/41/48/03/634414803.db2.gz ZHNQRNACIFCPNO-ZSOGYDGISA-N 0 3 320.795 2.410 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC(OCC)C3)C1 ZINC001022707763 624859096 /nfs/dbraw/zinc/85/90/96/624859096.db2.gz SRPKMSJMRPARTQ-COJVXZESSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001022721145 624872688 /nfs/dbraw/zinc/87/26/88/624872688.db2.gz QRZPHXQOYBCBDG-OCAPTIKFSA-N 0 3 305.712 2.215 20 30 DEEDHN C=CC[C@H]1CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000934459026 624882352 /nfs/dbraw/zinc/88/23/52/624882352.db2.gz AWDAZCDLBYIGPE-IRXDYDNUSA-N 0 3 301.434 2.056 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ncccc2OCCC)C1 ZINC000972232537 624897336 /nfs/dbraw/zinc/89/73/36/624897336.db2.gz SBLYGNYTLQTHGY-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC34CC4)C2)c(F)c1 ZINC001022766850 624905028 /nfs/dbraw/zinc/90/50/28/624905028.db2.gz IUVJBHVKEOOCGA-ZNMIVQPWSA-N 0 3 313.376 2.234 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)C[C@H]1C ZINC000947515270 625054337 /nfs/dbraw/zinc/05/43/37/625054337.db2.gz GBRASBZOTBIXJM-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ncccc1OCC ZINC001024831759 625070735 /nfs/dbraw/zinc/07/07/35/625070735.db2.gz ZHXSOZZOWJWQNS-OAHLLOKOSA-N 0 3 315.417 2.088 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)noc2C(F)(F)F)C1 ZINC000972435198 625079954 /nfs/dbraw/zinc/07/99/54/625079954.db2.gz CVNRNDRNBSXQDS-JTQLQIEISA-N 0 3 317.311 2.334 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(OC(C)C)n2)C1 ZINC001022905590 625088381 /nfs/dbraw/zinc/08/83/81/625088381.db2.gz SONSDFFJFMZGAR-BETUJISGSA-N 0 3 323.824 2.472 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000255884484 625101704 /nfs/dbraw/zinc/10/17/04/625101704.db2.gz OJPPEHWAPLUCPT-CCNLRRDASA-N 0 3 319.449 2.378 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001024902393 625102002 /nfs/dbraw/zinc/10/20/02/625102002.db2.gz PZRANISNUIUYST-DZGCQCFKSA-N 0 3 303.381 2.456 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892530821 625105121 /nfs/dbraw/zinc/10/51/21/625105121.db2.gz YSEMOQKWPNMBJF-OCCSQVGLSA-N 0 3 304.390 2.103 20 30 DEEDHN O=C(C#CC1CC1)N1CCCC[C@@H]1CNCc1cncc(F)c1 ZINC001024959741 625119552 /nfs/dbraw/zinc/11/95/52/625119552.db2.gz HBBPYYYWSYPBCJ-QGZVFWFLSA-N 0 3 315.392 2.105 20 30 DEEDHN CC1(C)CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)OC1 ZINC000892550370 625140554 /nfs/dbraw/zinc/14/05/54/625140554.db2.gz HNMDLBNZGJSHIB-OLZOCXBDSA-N 0 3 315.373 2.324 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nncc3ccccc32)C[C@@H]1C ZINC000947536536 625142717 /nfs/dbraw/zinc/14/27/17/625142717.db2.gz HGGVFPSICRMASK-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC000972502916 625144481 /nfs/dbraw/zinc/14/44/81/625144481.db2.gz ZAYBDVVJTRJANN-STQMWFEESA-N 0 3 321.446 2.327 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC000972506178 625147805 /nfs/dbraw/zinc/14/78/05/625147805.db2.gz GMTUEYRIOKGAJQ-HNNXBMFYSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC000972526918 625183864 /nfs/dbraw/zinc/18/38/64/625183864.db2.gz MGIDDZSTLITLPF-RCCFBDPRSA-N 0 3 314.429 2.278 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC000972544244 625216034 /nfs/dbraw/zinc/21/60/34/625216034.db2.gz JOARVASTTRFGBS-KRWDZBQOSA-N 0 3 310.401 2.409 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001023371078 625242675 /nfs/dbraw/zinc/24/26/75/625242675.db2.gz RENBQGPWXYKFLY-OLZOCXBDSA-N 0 3 323.462 2.478 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001023379600 625245519 /nfs/dbraw/zinc/24/55/19/625245519.db2.gz LFIUJLHBWORMQT-AWEZNQCLSA-N 0 3 316.449 2.172 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001023396566 625252961 /nfs/dbraw/zinc/25/29/61/625252961.db2.gz UARAQIGJMJZDHR-OAHLLOKOSA-N 0 3 314.433 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)COC1CCCC1 ZINC001025205694 625262107 /nfs/dbraw/zinc/26/21/07/625262107.db2.gz WKUZGHQQBHYMRE-QZTJIDSGSA-N 0 3 318.461 2.424 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccon1 ZINC001025208590 625267148 /nfs/dbraw/zinc/26/71/48/625267148.db2.gz WUGKMICGMPINGX-HOTGVXAUSA-N 0 3 301.390 2.157 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccon1 ZINC001025208591 625267178 /nfs/dbraw/zinc/26/71/78/625267178.db2.gz WUGKMICGMPINGX-HZPDHXFCSA-N 0 3 301.390 2.157 20 30 DEEDHN Cc1cc(F)c(C#N)c(N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000893235840 625268247 /nfs/dbraw/zinc/26/82/47/625268247.db2.gz AVZOMXNJBSGIFY-CQSZACIVSA-N 0 3 304.413 2.444 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnsn1 ZINC001025207191 625269475 /nfs/dbraw/zinc/26/94/75/625269475.db2.gz FSSQLQAMHHEUPO-UONOGXRCSA-N 0 3 306.435 2.183 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H]2CCCCN2C)C1 ZINC001023446191 625271635 /nfs/dbraw/zinc/27/16/35/625271635.db2.gz LNGQNPKYYAPYKS-HUUCEWRRSA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cc(C)on1 ZINC001025214307 625272619 /nfs/dbraw/zinc/27/26/19/625272619.db2.gz XUTVEBMQMYAMEF-DLBZAZTESA-N 0 3 315.417 2.004 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001027693766 634447942 /nfs/dbraw/zinc/44/79/42/634447942.db2.gz JDNWGNNCRHPZHY-IAGOWNOFSA-N 0 3 301.434 2.222 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000892464497 625745641 /nfs/dbraw/zinc/74/56/41/625745641.db2.gz DUXNFNKHOANYIT-ZIAGYGMSSA-N 0 3 306.406 2.493 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001024463912 625793846 /nfs/dbraw/zinc/79/38/46/625793846.db2.gz LCCJNHJSNGHRLD-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001024483884 625807788 /nfs/dbraw/zinc/80/77/88/625807788.db2.gz FJTIRPPYRFKWBJ-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001024523331 625838085 /nfs/dbraw/zinc/83/80/85/625838085.db2.gz PIPBCYGBBVNPRR-HNNXBMFYSA-N 0 3 303.406 2.251 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001019960552 625863961 /nfs/dbraw/zinc/86/39/61/625863961.db2.gz VZFIPOVVGLJYRT-JUDXGUMMSA-N 0 3 301.365 2.090 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001024548926 625866937 /nfs/dbraw/zinc/86/69/37/625866937.db2.gz KSOSZMNCHMGBAY-INIZCTEOSA-N 0 3 324.428 2.479 20 30 DEEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000892496665 625897267 /nfs/dbraw/zinc/89/72/67/625897267.db2.gz QKHNPVLSOMRNNJ-GFCCVEGCSA-N 0 3 317.414 2.249 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001024649838 625950746 /nfs/dbraw/zinc/95/07/46/625950746.db2.gz YOHJBNBJEFHRIQ-HNNXBMFYSA-N 0 3 301.434 2.195 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001024669251 625959868 /nfs/dbraw/zinc/95/98/68/625959868.db2.gz DULMWENRUPSZGO-INIZCTEOSA-N 0 3 312.413 2.229 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)CCC4)[C@@H]2C1 ZINC000979043060 634483623 /nfs/dbraw/zinc/48/36/23/634483623.db2.gz GCZCRWJZKGTJCD-LDLYASANSA-N 0 3 308.425 2.106 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(CCC)n[nH]2)C1 ZINC000999202441 634515714 /nfs/dbraw/zinc/51/57/14/634515714.db2.gz OBUVKKLKNSDSDF-UHFFFAOYSA-N 0 3 310.829 2.307 20 30 DEEDHN N#CC(C(=O)Cn1ccc2ccccc21)C(=O)NC1CCCC1 ZINC000125731267 634579917 /nfs/dbraw/zinc/57/99/17/634579917.db2.gz HNAOUMDIHZZZRC-HNNXBMFYSA-N 0 3 309.369 2.409 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000999455176 634596056 /nfs/dbraw/zinc/59/60/56/634596056.db2.gz BEBGCSQXOOGNFA-UHFFFAOYSA-N 0 3 308.813 2.232 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC000999552557 634624899 /nfs/dbraw/zinc/62/48/99/634624899.db2.gz TZSJFWNUFBFQER-UHFFFAOYSA-N 0 3 308.813 2.039 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2C1 ZINC000979479824 634654445 /nfs/dbraw/zinc/65/44/45/634654445.db2.gz HWTVDVQOXRFWOS-USXIJHARSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979506653 634667340 /nfs/dbraw/zinc/66/73/40/634667340.db2.gz SGOCXAUOTBWHDK-ZNMIVQPWSA-N 0 3 300.402 2.409 20 30 DEEDHN C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979506653 634667344 /nfs/dbraw/zinc/66/73/44/634667344.db2.gz SGOCXAUOTBWHDK-ZNMIVQPWSA-N 0 3 300.402 2.409 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)c3cnco3)C2)s1 ZINC000999841919 634683474 /nfs/dbraw/zinc/68/34/74/634683474.db2.gz ORMSIKDJKSEGBP-LLVKDONJSA-N 0 3 316.386 2.002 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccnn3C)C[C@H]2C1 ZINC000979592363 634706673 /nfs/dbraw/zinc/70/66/73/634706673.db2.gz BDYSFYOMTBZUQN-IHRRRGAJSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)Cc3ccon3)C[C@H]2C1 ZINC000979614196 634711743 /nfs/dbraw/zinc/71/17/43/634711743.db2.gz GDMVOXBIWZXUHW-MELADBBJSA-N 0 3 323.824 2.186 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3n[nH]c(C)c3C)CC2)CC1 ZINC001000114175 634750200 /nfs/dbraw/zinc/75/02/00/634750200.db2.gz QROKMSLTSBBPSD-UHFFFAOYSA-N 0 3 314.433 2.024 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](NCc3cn(C)nc3C)C2)C1 ZINC001000129695 634759496 /nfs/dbraw/zinc/75/94/96/634759496.db2.gz ZOIQTJAAJALVQD-MRXNPFEDSA-N 0 3 316.449 2.165 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C)nc(C)c3)CC2)CC1 ZINC001000167863 634775204 /nfs/dbraw/zinc/77/52/04/634775204.db2.gz SULRPPRWANRHHO-UHFFFAOYSA-N 0 3 311.429 2.306 20 30 DEEDHN C=CCCOC(=O)[C@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000835832414 649998364 /nfs/dbraw/zinc/99/83/64/649998364.db2.gz WHJVSCLHWDFDBO-ZDUSSCGKSA-N 0 3 305.374 2.413 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCc2ccccc2C1 ZINC000836310126 650077927 /nfs/dbraw/zinc/07/79/27/650077927.db2.gz ROTYHQBHRXCLPC-INIZCTEOSA-N 0 3 313.445 2.046 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C2CC2)cc1F ZINC000836465678 650094772 /nfs/dbraw/zinc/09/47/72/650094772.db2.gz KTVVVIYPFJTAHU-UHFFFAOYSA-N 0 3 317.408 2.457 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001024690638 632925785 /nfs/dbraw/zinc/92/57/85/632925785.db2.gz ZZBKREHSVYKHQJ-INIZCTEOSA-N 0 3 304.438 2.454 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)CC)cc2)[C@@H](C)C1 ZINC000945808377 633005437 /nfs/dbraw/zinc/00/54/37/633005437.db2.gz OQSPFJGZMSGUOL-YJBOKZPZSA-N 0 3 313.445 2.216 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC001026800211 633129383 /nfs/dbraw/zinc/12/93/83/633129383.db2.gz VNYIZXXTGZAUNU-INIZCTEOSA-N 0 3 323.396 2.332 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001008627482 633151915 /nfs/dbraw/zinc/15/19/15/633151915.db2.gz GWRATEYIXOTYCH-AWEZNQCLSA-N 0 3 304.365 2.052 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001026831068 633152705 /nfs/dbraw/zinc/15/27/05/633152705.db2.gz RBTGXZNJKJOGEJ-IUODEOHRSA-N 0 3 319.355 2.152 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C(C)(C)C1 ZINC000974590080 633160599 /nfs/dbraw/zinc/16/05/99/633160599.db2.gz XVYPXZJKMGCGTQ-CYBMUJFWSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)C(C)(C)C1 ZINC000974681331 633233461 /nfs/dbraw/zinc/23/34/61/633233461.db2.gz SYIOMEUHEQXNLO-GFCCVEGCSA-N 0 3 322.840 2.089 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn3cncc3c2)C(C)(C)C1 ZINC000974771354 633294124 /nfs/dbraw/zinc/29/41/24/633294124.db2.gz CSVABPPLSNJDAT-INIZCTEOSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3ccccc23)C(C)(C)C1 ZINC000974806374 633307874 /nfs/dbraw/zinc/30/78/74/633307874.db2.gz CLMPQBPYXSWWLV-QGZVFWFLSA-N 0 3 309.413 2.403 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001026996745 633335702 /nfs/dbraw/zinc/33/57/02/633335702.db2.gz WUINHQMXWLQGRL-PBFPGSCMSA-N 0 3 315.392 2.291 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001008746914 633355850 /nfs/dbraw/zinc/35/58/50/633355850.db2.gz IIGBFKVJSUVNCZ-KRWDZBQOSA-N 0 3 314.404 2.461 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNCc2cnc(C)cn2)C1 ZINC001027041476 633367488 /nfs/dbraw/zinc/36/74/88/633367488.db2.gz WIZNISIXEYPEMM-QAPCUYQASA-N 0 3 316.449 2.325 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000975033025 633400685 /nfs/dbraw/zinc/40/06/85/633400685.db2.gz WZRIJFKQZVECST-DZGCQCFKSA-N 0 3 316.449 2.232 20 30 DEEDHN N#CC(C(=O)COc1ccc(F)c(Cl)c1)C(=O)N1CCCC1 ZINC000124846714 633414955 /nfs/dbraw/zinc/41/49/55/633414955.db2.gz GPTGJXKWTSLEOU-LLVKDONJSA-N 0 3 324.739 2.189 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001027089331 633430511 /nfs/dbraw/zinc/43/05/11/633430511.db2.gz VJZXDRYPXLFCHF-PBHICJAKSA-N 0 3 309.413 2.296 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC001009127097 633511038 /nfs/dbraw/zinc/51/10/38/633511038.db2.gz XPFBLOOFIDNJLA-AWEZNQCLSA-N 0 3 303.406 2.249 20 30 DEEDHN Cc1cccc(C)c1OCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125112806 633512256 /nfs/dbraw/zinc/51/22/56/633512256.db2.gz WXAVOJYHCCDUNQ-AWEZNQCLSA-N 0 3 323.352 2.425 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027336134 633663771 /nfs/dbraw/zinc/66/37/71/633663771.db2.gz NTMIAZIOSFLTAA-YOEHRIQHSA-N 0 3 310.401 2.141 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(COC)o2)CC1 ZINC000997216628 633678148 /nfs/dbraw/zinc/67/81/48/633678148.db2.gz SFQLCRFFTLFMMF-CQSZACIVSA-N 0 3 318.417 2.280 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sc(C3CC3)nc2C)C1 ZINC001027408012 633746139 /nfs/dbraw/zinc/74/61/39/633746139.db2.gz FXJCNMLILVGKOG-AWEZNQCLSA-N 0 3 317.458 2.499 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001027410952 633749169 /nfs/dbraw/zinc/74/91/69/633749169.db2.gz IYPZLLMKYWQSID-QWHCGFSZSA-N 0 3 321.446 2.020 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cn3ccccc3n2)CC1 ZINC000997416858 633759266 /nfs/dbraw/zinc/75/92/66/633759266.db2.gz CVZIWZQIQLNKHG-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cn(C)nc2C(C)C)CC1 ZINC000997422258 633760264 /nfs/dbraw/zinc/76/02/64/633760264.db2.gz 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C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C(C)(C)C1 ZINC000977315377 633922437 /nfs/dbraw/zinc/92/24/37/633922437.db2.gz IRGMKEMWZWGQMM-XHSDSOJGSA-N 0 3 306.450 2.370 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc3ccccc3nn2)CC1 ZINC000997700784 633939025 /nfs/dbraw/zinc/93/90/25/633939025.db2.gz ONKBNOJKKARLDD-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2onc3c2CCCC3)CC1 ZINC000948612837 633941101 /nfs/dbraw/zinc/94/11/01/633941101.db2.gz RMMCYMISNDJELV-CQSZACIVSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(CCC)nc2C)C(C)(C)C1 ZINC000977374145 633949403 /nfs/dbraw/zinc/94/94/03/633949403.db2.gz BFYRDKHPRNIWCC-INIZCTEOSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nc(Cl)cs2)CC1 ZINC000997723632 633952469 /nfs/dbraw/zinc/95/24/69/633952469.db2.gz FCRAYNCMOLMWAX-JTQLQIEISA-N 0 3 311.838 2.260 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000997747088 633960738 /nfs/dbraw/zinc/96/07/38/633960738.db2.gz 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C#CCN(C)[C@H]1CCCN(C(=O)c2cnc(C)nc2C(C)C)C1 ZINC001027603827 634262685 /nfs/dbraw/zinc/26/26/85/634262685.db2.gz OINUAUAAYYKSDX-HNNXBMFYSA-N 0 3 314.433 2.078 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cscc3Cl)[C@@H]2C1 ZINC000978312903 634280343 /nfs/dbraw/zinc/28/03/43/634280343.db2.gz JCCCZBCYHNLTFE-CNDDSTCGSA-N 0 3 308.834 2.332 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001027609313 634282466 /nfs/dbraw/zinc/28/24/66/634282466.db2.gz SALNZNAQKIHSHA-HYVNUMGLSA-N 0 3 314.404 2.485 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccco4)o3)[C@@H]2C1 ZINC000978457661 634324276 /nfs/dbraw/zinc/32/42/76/634324276.db2.gz QYCSRUOTESZYAB-ZSOGYDGISA-N 0 3 310.353 2.080 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001027630973 634340245 /nfs/dbraw/zinc/34/02/45/634340245.db2.gz LNKNRMBNDNBSBA-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)Cc3cnoc3)C[C@H]2C1 ZINC000980151577 634864753 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ZINC001000330537 635148549 /nfs/dbraw/zinc/14/85/49/635148549.db2.gz UQFDUPLNBZXIML-UHFFFAOYSA-N 0 3 317.458 2.368 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001028020463 635263229 /nfs/dbraw/zinc/26/32/29/635263229.db2.gz UEXMLZHCUKUNRE-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc2ccc(C)cn12 ZINC001028023295 635275198 /nfs/dbraw/zinc/27/51/98/635275198.db2.gz UZEPDPMWPAYVBX-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN O=C(C#CC1CC1)N1CCCN(CCCC2CCOCC2)CC1 ZINC000981125612 635326169 /nfs/dbraw/zinc/32/61/69/635326169.db2.gz GUKQDMJMYJGHCS-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]c(Br)c2)CC1 ZINC001000957698 635370792 /nfs/dbraw/zinc/37/07/92/635370792.db2.gz JSQBRCMMFQPKBA-UHFFFAOYSA-N 0 3 324.222 2.325 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccnc3ccncc32)CC1 ZINC001001005106 635377472 /nfs/dbraw/zinc/37/74/72/635377472.db2.gz UVSYCQAOHZLZKJ-UHFFFAOYSA-N 0 3 308.385 2.178 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2=CCN(CC=C(C)C)CC2)c1 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C=CCN1CC=C(CNC(=O)[C@H]2Cc3c(cccc3C)O2)CC1 ZINC001001373750 635481713 /nfs/dbraw/zinc/48/17/13/635481713.db2.gz KAAASNRBFPQBOE-GOSISDBHSA-N 0 3 312.413 2.233 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000981442957 635483898 /nfs/dbraw/zinc/48/38/98/635483898.db2.gz VPJUILQCOPXQFG-UHFFFAOYSA-N 0 3 312.417 2.367 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2=CCN(CC=C(C)C)CC2)nc1 ZINC001001382855 635484031 /nfs/dbraw/zinc/48/40/31/635484031.db2.gz BZPQQNYCLQVEHU-UHFFFAOYSA-N 0 3 309.413 2.391 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccn3c2CCCC3)CC1 ZINC001001490096 635509786 /nfs/dbraw/zinc/50/97/86/635509786.db2.gz KSDLZCJOVJNEST-UHFFFAOYSA-N 0 3 313.445 2.290 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccnc(CCC)c2)CC1 ZINC001001501842 635513301 /nfs/dbraw/zinc/51/33/01/635513301.db2.gz KNLLPICELAIABX-UHFFFAOYSA-N 0 3 313.445 2.499 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000981535061 635520296 /nfs/dbraw/zinc/52/02/96/635520296.db2.gz MRICGYULIYQLSM-UHFFFAOYSA-N 0 3 315.417 2.126 20 30 DEEDHN 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315.417 2.257 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)N(C)CCC#N)cc2)CC1 ZINC000754431920 639428776 /nfs/dbraw/zinc/42/87/76/639428776.db2.gz NWZZZWNDEFKUKO-UHFFFAOYSA-N 0 3 315.421 2.206 20 30 DEEDHN CCC(=O)N1CC[C@H](NCc2cc(C#N)ccc2OC)[C@@H]1C ZINC000985834134 639658438 /nfs/dbraw/zinc/65/84/38/639658438.db2.gz ANAIIXANSBJCOE-WFASDCNBSA-N 0 3 301.390 2.056 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986284173 639869536 /nfs/dbraw/zinc/86/95/36/639869536.db2.gz ZYERNHNUYQALOE-LRDDRELGSA-N 0 3 317.458 2.252 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccn3cncc3c2)[C@@H]1C ZINC000986483152 639908264 /nfs/dbraw/zinc/90/82/64/639908264.db2.gz SVVCPALBWFBRNE-IUODEOHRSA-N 0 3 318.808 2.279 20 30 DEEDHN C#CCNC(=S)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000758212404 639929038 /nfs/dbraw/zinc/92/90/38/639929038.db2.gz CUXWGUQWNIUMIK-MRXNPFEDSA-N 0 3 301.459 2.311 20 30 DEEDHN C#CCN(C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)C1CC1 ZINC000897404925 640031892 /nfs/dbraw/zinc/03/18/92/640031892.db2.gz 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/nfs/dbraw/zinc/67/47/42/640674742.db2.gz MBZDBVLOQZMVDS-XHDPSFHLSA-N 0 3 317.458 2.252 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000989089337 640721193 /nfs/dbraw/zinc/72/11/93/640721193.db2.gz VDENZYJTZHIROZ-UKRRQHHQSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2c(C)cc3ccccc32)C1 ZINC000989137517 640732683 /nfs/dbraw/zinc/73/26/83/640732683.db2.gz LHDIZILNLOKFRH-DOTOQJQBSA-N 0 3 309.413 2.162 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1 ZINC000765246252 640756608 /nfs/dbraw/zinc/75/66/08/640756608.db2.gz ZQLZNMOLJUCZGC-HNAYVOBHSA-N 0 3 319.408 2.313 20 30 DEEDHN CCn1c(=O)c2ccccc2nc1N=NC1CCN2CCC[C@H]12 ZINC000765569634 640794150 /nfs/dbraw/zinc/79/41/50/640794150.db2.gz LUOWGNAYTCJDEP-OAHLLOKOSA-N 0 3 311.389 2.052 20 30 DEEDHN N#CCOc1ccc(CNCc2ccccc2-n2cncn2)cc1 ZINC000729685283 640826017 /nfs/dbraw/zinc/82/60/17/640826017.db2.gz CYNKZCQHUFDKCY-UHFFFAOYSA-N 0 3 319.368 2.459 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000989402719 640850254 /nfs/dbraw/zinc/85/02/54/640850254.db2.gz QWJNRWTUCXUTTQ-ZJUUUORDSA-N 0 3 312.747 2.444 20 30 DEEDHN C#Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000897815954 640942505 /nfs/dbraw/zinc/94/25/05/640942505.db2.gz HPKIREGMSAEFSP-IBGZPJMESA-N 0 3 320.392 2.487 20 30 DEEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441214 641081111 /nfs/dbraw/zinc/08/11/11/641081111.db2.gz IJMIIZQUAGLWMW-QGZVFWFLSA-N 0 3 310.353 2.322 20 30 DEEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441214 641081116 /nfs/dbraw/zinc/08/11/16/641081116.db2.gz IJMIIZQUAGLWMW-QGZVFWFLSA-N 0 3 310.353 2.322 20 30 DEEDHN CN(Cc1cccc(C#N)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441214 641081119 /nfs/dbraw/zinc/08/11/19/641081119.db2.gz IJMIIZQUAGLWMW-QGZVFWFLSA-N 0 3 310.353 2.322 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn(C(C)C)nc2C)CC1 ZINC000989466555 641114687 /nfs/dbraw/zinc/11/46/87/641114687.db2.gz 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/nfs/dbraw/zinc/25/90/12/641259012.db2.gz OXNZETDTBZWRHO-JSGCOSHPSA-N 0 3 306.356 2.110 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccc(C)nn3)CCC[C@H]12 ZINC000990665541 641586079 /nfs/dbraw/zinc/58/60/79/641586079.db2.gz WGWJINZBWJQMBS-DOTOQJQBSA-N 0 3 300.406 2.088 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000773008730 641715944 /nfs/dbraw/zinc/71/59/44/641715944.db2.gz XWRMRDYEMSWYRF-HOCLYGCPSA-N 0 3 300.402 2.359 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C1SCCCS1 ZINC000842284919 650693932 /nfs/dbraw/zinc/69/39/32/650693932.db2.gz NOHLKFWYQVLNLO-JTQLQIEISA-N 0 3 300.449 2.198 20 30 DEEDHN N#CC(C(=O)Cc1cc2cc(Cl)ccc2[nH]1)C(=O)NC1CC1 ZINC000842289852 650695744 /nfs/dbraw/zinc/69/57/44/650695744.db2.gz UQDXDMDKRRYLDE-ZDUSSCGKSA-N 0 3 315.760 2.351 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(C)cs1 ZINC000774045154 641856673 /nfs/dbraw/zinc/85/66/73/641856673.db2.gz XTXUAUOMJOYQPS-GFCCVEGCSA-N 0 3 307.419 2.399 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@](C)(C#N)C2)cc1 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CCC(CSc1ccccc1[N+](=O)[O-])=NNC1=N[C@H](C)CN1 ZINC000779791836 642539075 /nfs/dbraw/zinc/53/90/75/642539075.db2.gz LKXSCDBAGQGOIN-SNVBAGLBSA-N 0 3 321.406 2.390 20 30 DEEDHN CC1(C)C[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C(C)(C)O1 ZINC000901624776 642732111 /nfs/dbraw/zinc/73/21/11/642732111.db2.gz QCCXIQWFVZRJPZ-LSDHHAIUSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1cc(C#N)ccn1 ZINC000902837577 643158838 /nfs/dbraw/zinc/15/88/38/643158838.db2.gz ZHFQVWCKQIYICM-JSGCOSHPSA-N 0 3 311.364 2.417 20 30 DEEDHN C#CCCOc1ccc(CN(CCOC)[C@@H]2CCOC2)cc1 ZINC000787335914 643483400 /nfs/dbraw/zinc/48/34/00/643483400.db2.gz VDXXYSRUDXBCLM-QGZVFWFLSA-N 0 3 303.402 2.326 20 30 DEEDHN COCCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CCOC1 ZINC000787335468 643484250 /nfs/dbraw/zinc/48/42/50/643484250.db2.gz RRJMGSDJQQUGKV-GOEBONIOSA-N 0 3 304.390 2.215 20 30 DEEDHN C#CCN([C@@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000790269603 643832658 /nfs/dbraw/zinc/83/26/58/643832658.db2.gz 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ZINC000827679025 649066692 /nfs/dbraw/zinc/06/66/92/649066692.db2.gz HOBPGUPOPIWQKM-QGZVFWFLSA-N 0 3 314.429 2.435 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)c1ccon1 ZINC000941853181 649110232 /nfs/dbraw/zinc/11/02/32/649110232.db2.gz ARHLYUKCYJSQRG-CZUORRHYSA-N 0 3 324.384 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(C(C)(C)C)n2)[C@@H](C)C1 ZINC000942052553 649142869 /nfs/dbraw/zinc/14/28/69/649142869.db2.gz GLDHWKLEXIVEBB-UONOGXRCSA-N 0 3 317.433 2.436 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3sccc32)[C@@H](C)C1 ZINC000942061777 649146909 /nfs/dbraw/zinc/14/69/09/649146909.db2.gz PEEJNWAOGOMHFN-AAEUAGOBSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000942113604 649160399 /nfs/dbraw/zinc/16/03/99/649160399.db2.gz PXYJVAMHWSWXMJ-GXTWGEPZSA-N 0 3 321.371 2.483 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncc(C)cc2OC)[C@H](C)C1 ZINC000942135764 649166904 /nfs/dbraw/zinc/16/69/04/649166904.db2.gz DWVDBEARYSSYTP-ZIAGYGMSSA-N 0 3 303.406 2.025 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncc(C)cc2OC)[C@@H](C)C1 ZINC000942135761 649167157 /nfs/dbraw/zinc/16/71/57/649167157.db2.gz DWVDBEARYSSYTP-KBPBESRZSA-N 0 3 303.406 2.025 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000942147939 649168207 /nfs/dbraw/zinc/16/82/07/649168207.db2.gz OJJJIFHVHYCPCY-CZUORRHYSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3cccnc3c2)[C@H](C)C1 ZINC000942175927 649175797 /nfs/dbraw/zinc/17/57/97/649175797.db2.gz LZNCWHFAJHBNLP-CRAIPNDOSA-N 0 3 321.424 2.237 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000942367551 649211489 /nfs/dbraw/zinc/21/14/89/649211489.db2.gz NMVLHBOLTOOKEL-GDBMZVCRSA-N 0 3 322.412 2.150 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)[C@H](C)C1 ZINC000942431521 649221672 /nfs/dbraw/zinc/22/16/72/649221672.db2.gz MVEZOTGGOLKUOQ-KGLIPLIRSA-N 0 3 317.433 2.436 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)[C@@H](C)C1 ZINC000942498147 649226172 /nfs/dbraw/zinc/22/61/72/649226172.db2.gz XELUBGVXUQAQCH-BBRMVZONSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)[C@H](C)C1 ZINC000942498149 649226489 /nfs/dbraw/zinc/22/64/89/649226489.db2.gz XELUBGVXUQAQCH-CJNGLKHVSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncc(Cl)s2)[C@H](C)C1 ZINC000942487490 649228295 /nfs/dbraw/zinc/22/82/95/649228295.db2.gz VGLMVEYUCYORJN-GHMZBOCLSA-N 0 3 311.838 2.260 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@@H](C)C1 ZINC000942523748 649234229 /nfs/dbraw/zinc/23/42/29/649234229.db2.gz VUCNKYMHIJMVNM-GOEBONIOSA-N 0 3 312.417 2.269 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)[C@H](C)C1 ZINC000942527467 649234595 /nfs/dbraw/zinc/23/45/95/649234595.db2.gz MRFHZPRDDXYCGN-IUODEOHRSA-N 0 3 314.389 2.296 20 30 DEEDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1F ZINC000829038172 649263785 /nfs/dbraw/zinc/26/37/85/649263785.db2.gz BOPJEWBKRUIVHO-HNNXBMFYSA-N 0 3 320.412 2.309 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)c2ccoc2)C1 ZINC000995260482 649266423 /nfs/dbraw/zinc/26/64/23/649266423.db2.gz RHGNNWPVFFGRPF-QGZVFWFLSA-N 0 3 323.396 2.272 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C)c2CC)[C@H](C)C1 ZINC000942718210 649279277 /nfs/dbraw/zinc/27/92/77/649279277.db2.gz CPYWVVWRXVRIDU-ZBFHGGJFSA-N 0 3 301.434 2.051 20 30 DEEDHN CS[C@@H]1CN(C(=O)C#Cc2cccs2)C[C@@H]1N1CCCC1 ZINC000829165793 649280205 /nfs/dbraw/zinc/28/02/05/649280205.db2.gz DSZVWOVDRAOMAV-LSDHHAIUSA-N 0 3 320.483 2.138 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OCC)c(C)c2)[C@@H](C)C1 ZINC000943255108 649357034 /nfs/dbraw/zinc/35/70/34/649357034.db2.gz NNFBXGQBLFWHMH-DOTOQJQBSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccsc2C)[C@@H](C)C1 ZINC000943336649 649369034 /nfs/dbraw/zinc/36/90/34/649369034.db2.gz VYFQUXAIMXYGBK-XJKSGUPXSA-N 0 3 304.459 2.449 20 30 DEEDHN CCCCCCCS(=O)(=O)Nc1ccnn1CCN(C)C ZINC000829957270 649377550 /nfs/dbraw/zinc/37/75/50/649377550.db2.gz CWOIEDVWKZKXID-UHFFFAOYSA-N 0 3 316.471 2.157 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000830343213 649429789 /nfs/dbraw/zinc/42/97/89/649429789.db2.gz PGJVOTXVGCCFDO-OAHLLOKOSA-N 0 3 318.446 2.199 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3ccncc32)[C@H](C)C1 ZINC000943816423 649436811 /nfs/dbraw/zinc/43/68/11/649436811.db2.gz PBGRRSCSGNQOIL-RDTXWAMCSA-N 0 3 307.397 2.308 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H](C)C1 ZINC000944077706 649479676 /nfs/dbraw/zinc/47/96/76/649479676.db2.gz CYSQYMLRZCYKKR-GXTWGEPZSA-N 0 3 304.438 2.333 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000944315813 649509772 /nfs/dbraw/zinc/50/97/72/649509772.db2.gz BRIHXGXLWVWXGL-LRDDRELGSA-N 0 3 322.811 2.481 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000944533209 649531169 /nfs/dbraw/zinc/53/11/69/649531169.db2.gz OBYPKDXVMRZECN-BBRMVZONSA-N 0 3 304.821 2.342 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000995567081 649549640 /nfs/dbraw/zinc/54/96/40/649549640.db2.gz VPJYLHUSJQNKBJ-XHDPSFHLSA-N 0 3 321.371 2.451 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@@H](C)C1 ZINC000945005743 649597685 /nfs/dbraw/zinc/59/76/85/649597685.db2.gz FCFDPSJNUCLAEL-FZMZJTMJSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(OCC)c2)[C@H](C)C1 ZINC000945182221 649624714 /nfs/dbraw/zinc/62/47/14/649624714.db2.gz PHLFGJQLRCFUKW-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H](C)C1 ZINC000945223805 649631261 /nfs/dbraw/zinc/63/12/61/649631261.db2.gz QQGZFERVMAANNV-KHQOANHYSA-N 0 3 300.446 2.128 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](C)C1 ZINC000945223807 649631321 /nfs/dbraw/zinc/63/13/21/649631321.db2.gz QQGZFERVMAANNV-RJGWXTLFSA-N 0 3 300.446 2.128 20 30 DEEDHN C=C[C@H](C)ONC(=O)NCCCN1CCc2ccccc2C1 ZINC000844286180 651104550 /nfs/dbraw/zinc/10/45/50/651104550.db2.gz SQKORMPCTYDSKE-AWEZNQCLSA-N 0 3 303.406 2.240 20 30 DEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844359558 651117078 /nfs/dbraw/zinc/11/70/78/651117078.db2.gz BMEJVMYNQHOTFX-OALUTQOASA-N 0 3 321.380 2.129 20 30 DEEDHN C=C[C@@H](C)ONC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000844630099 651148732 /nfs/dbraw/zinc/14/87/32/651148732.db2.gz DUDKBZPDFWPRFH-CQSZACIVSA-N 0 3 318.421 2.456 20 30 DEEDHN N#CCn1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cn1 ZINC000845341400 651234967 /nfs/dbraw/zinc/23/49/67/651234967.db2.gz JIJYLHMXDIQIFM-WDEREUQCSA-N 0 3 316.283 2.093 20 30 DEEDHN CO[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)C(F)(F)F ZINC000845440344 651243328 /nfs/dbraw/zinc/24/33/28/651243328.db2.gz DWEUHCWXEVBMAN-ZYHUDNBSSA-N 0 3 320.311 2.112 20 30 DEEDHN COc1ccc2c(c1)CCCN2C(=O)[C@@H](N)CCCCC#N ZINC000848397036 651455947 /nfs/dbraw/zinc/45/59/47/651455947.db2.gz YOCYMEJJCQZESW-HNNXBMFYSA-N 0 3 301.390 2.386 20 30 DEEDHN COC(=O)Nc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1F ZINC000848399478 651456215 /nfs/dbraw/zinc/45/62/15/651456215.db2.gz QDVDSCWAJINVNB-GFCCVEGCSA-N 0 3 322.340 2.354 20 30 DEEDHN COc1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)ccc1C#N ZINC000855162409 651637225 /nfs/dbraw/zinc/63/72/25/651637225.db2.gz JCZGLCLISRQWPN-AWEZNQCLSA-N 0 3 301.390 2.169 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)CC1 ZINC000855945038 651815934 /nfs/dbraw/zinc/81/59/34/651815934.db2.gz BNOHMRVIGWNKNE-DLBZAZTESA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCCCCC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000856410786 651922128 /nfs/dbraw/zinc/92/21/28/651922128.db2.gz PEYIMNUVPVACRP-MRXNPFEDSA-N 0 3 306.450 2.282 20 30 DEEDHN COc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000850761682 651983568 /nfs/dbraw/zinc/98/35/68/651983568.db2.gz QGYBMRHERHBEDL-ZNMIVQPWSA-N 0 3 300.358 2.032 20 30 DEEDHN C=CCN1CCC(NC(=O)/C(=C\c2ccccc2)OC)CC1 ZINC000857118123 652055690 /nfs/dbraw/zinc/05/56/90/652055690.db2.gz DGCNTUUYPONTCX-SAPNQHFASA-N 0 3 300.402 2.441 20 30 DEEDHN C=CCC1(C(=O)NCCN(C)C(=O)CN(C)C(C)C)CCCC1 ZINC001355735884 1152032496 /nfs/dbraw/zinc/03/24/96/1152032496.db2.gz IQNGCBAGOGEJAC-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CO[C@H]1CC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000851746681 652225313 /nfs/dbraw/zinc/22/53/13/652225313.db2.gz WDYVZZATNQMKMY-GJZGRUSLSA-N 0 3 303.381 2.387 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000852062486 652329626 /nfs/dbraw/zinc/32/96/26/652329626.db2.gz GARQNEPSVPVKCE-NCOADZHNSA-N 0 3 321.465 2.284 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000852098310 652337935 /nfs/dbraw/zinc/33/79/35/652337935.db2.gz JPADLHYNFGCJKJ-GOSISDBHSA-N 0 3 318.417 2.054 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCC2SCCS2)CC1 ZINC000852126675 652347307 /nfs/dbraw/zinc/34/73/07/652347307.db2.gz FWRSQQLABGJSQN-UHFFFAOYSA-N 0 3 315.508 2.132 20 30 DEEDHN C#CCCN(CCOC)Cc1ccc(Cl)cc1-n1cncn1 ZINC000852749210 652448766 /nfs/dbraw/zinc/44/87/66/652448766.db2.gz SNKGSUJQWGLEQG-UHFFFAOYSA-N 0 3 318.808 2.392 20 30 DEEDHN C#CCCN(CCOC)C[C@H](O)COc1ccccc1Cl ZINC000852752979 652450215 /nfs/dbraw/zinc/45/02/15/652450215.db2.gz SLURPBOUVRVZRV-AWEZNQCLSA-N 0 3 311.809 2.051 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H](O)c1cccc2ccccc21 ZINC000852849141 652469104 /nfs/dbraw/zinc/46/91/04/652469104.db2.gz YIYHUQAPFYOFOO-SJORKVTESA-N 0 3 311.385 2.011 20 30 DEEDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C#CC2CC2)CC1 ZINC000854334777 652681217 /nfs/dbraw/zinc/68/12/17/652681217.db2.gz QWNPWFHJDQHSRT-QGZVFWFLSA-N 0 3 320.477 2.120 20 30 DEEDHN C=C(Cl)CN1CC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001374191710 1157706212 /nfs/dbraw/zinc/70/62/12/1157706212.db2.gz UDNCFMGMWVUVOT-UHFFFAOYSA-N 0 3 313.873 2.005 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1ccc(F)cc1F ZINC001374415890 1157847453 /nfs/dbraw/zinc/84/74/53/1157847453.db2.gz QSOBHQUEQFLWOC-IAQYHMDHSA-N 0 3 309.360 2.355 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)COC1 ZINC001356277553 1152069799 /nfs/dbraw/zinc/06/97/99/1152069799.db2.gz XIEMWLHRWXBRHR-AWEZNQCLSA-N 0 3 316.357 2.159 20 30 DEEDHN CC[C@H](F)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001394504598 1158595735 /nfs/dbraw/zinc/59/57/35/1158595735.db2.gz PHNCXYXZDYSHFI-FZMZJTMJSA-N 0 3 309.360 2.382 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)OC ZINC000928318994 693760476 /nfs/dbraw/zinc/76/04/76/693760476.db2.gz ZTMTZTUYYDBBPR-HOTGVXAUSA-N 0 3 322.449 2.408 20 30 DEEDHN CC(=O)N(C)C1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000092538357 684043498 /nfs/dbraw/zinc/04/34/98/684043498.db2.gz ZLKDRFGDVKNPHE-AWEZNQCLSA-N 0 3 315.417 2.420 20 30 DEEDHN Cc1cccc(CSCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000130848673 684193380 /nfs/dbraw/zinc/19/33/80/684193380.db2.gz ZPZONZBNBSAUDQ-AWEZNQCLSA-N 0 3 304.415 2.462 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)SC)cc1 ZINC000156391544 684288569 /nfs/dbraw/zinc/28/85/69/684288569.db2.gz GNPNLWRGXQOPSX-BXUZGUMPSA-N 0 3 320.414 2.162 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC(F)(F)F)C2 ZINC001054096388 693842683 /nfs/dbraw/zinc/84/26/83/693842683.db2.gz NDEWPAHDFCUGQT-CQSZACIVSA-N 0 3 302.340 2.277 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc3occc3[nH]1)C2 ZINC001054141024 693859630 /nfs/dbraw/zinc/85/96/30/693859630.db2.gz DJAFEQZATSLVTC-GOSISDBHSA-N 0 3 311.385 2.322 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C(F)F)CC1)C2 ZINC001054133272 693858276 /nfs/dbraw/zinc/85/82/76/693858276.db2.gz ZSENMDYXWDYMSQ-MRXNPFEDSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cccc3cn[nH]c31)C2 ZINC001054173845 693870783 /nfs/dbraw/zinc/87/07/83/693870783.db2.gz HPNHHUGXVRBYMA-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cccc3c[nH]nc31)C2 ZINC001054173845 693870785 /nfs/dbraw/zinc/87/07/85/693870785.db2.gz HPNHHUGXVRBYMA-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccn(C)c1C)C2 ZINC001054192915 693876681 /nfs/dbraw/zinc/87/66/81/693876681.db2.gz LCANPLFKQBLBDA-LJQANCHMSA-N 0 3 313.445 2.285 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](OC)C1CCCC1)C2 ZINC001054233834 693893381 /nfs/dbraw/zinc/89/33/81/693893381.db2.gz SABYUPVSXKVOGF-HKUYNNGSSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cccn1CC)C2 ZINC001054241447 693897214 /nfs/dbraw/zinc/89/72/14/693897214.db2.gz SAFBBODCLYDNQD-IBGZPJMESA-N 0 3 313.445 2.459 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COc1cccc(OC)c1 ZINC000193382860 685039556 /nfs/dbraw/zinc/03/95/56/685039556.db2.gz CAAQOJIQPKOOAI-HNNXBMFYSA-N 0 3 318.373 2.089 20 30 DEEDHN Cc1nc(CC(=O)C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000193408621 685040195 /nfs/dbraw/zinc/04/01/95/685040195.db2.gz DEBUTOHBJYWKJL-AWEZNQCLSA-N 0 3 313.382 2.019 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)c2ccccc2OCC#N)C1 ZINC000193873956 685050987 /nfs/dbraw/zinc/05/09/87/685050987.db2.gz FDRSLTRTYWDPCO-AWEZNQCLSA-N 0 3 301.390 2.051 20 30 DEEDHN C=CC1(CC(=O)NCCCN2CCN(C)CC2)CCCCC1 ZINC000929422217 693953453 /nfs/dbraw/zinc/95/34/53/693953453.db2.gz QVFPDQJVZUOPRH-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000859445878 685731097 /nfs/dbraw/zinc/73/10/97/685731097.db2.gz UZEZSZZPTKEYPT-MRXNPFEDSA-N 0 3 301.434 2.267 20 30 DEEDHN N#Cc1ccc(CC(=O)O[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000860251753 685905398 /nfs/dbraw/zinc/90/53/98/685905398.db2.gz VCGAAULHQCHBIF-SFHVURJKSA-N 0 3 321.380 2.313 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1cccc(OCC)c1 ZINC000861837622 686191000 /nfs/dbraw/zinc/19/10/00/686191000.db2.gz GGPYHIFVKMHRQU-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1cccc(Cl)n1 ZINC001054633762 694010849 /nfs/dbraw/zinc/01/08/49/694010849.db2.gz BHRDOCJWKDQLQZ-SWLSCSKDSA-N 0 3 317.820 2.085 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001015831733 687435604 /nfs/dbraw/zinc/43/56/04/687435604.db2.gz DNXRDCMGWZTPQJ-INIZCTEOSA-N 0 3 309.413 2.164 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2occc2Br)C1 ZINC001015859661 687443671 /nfs/dbraw/zinc/44/36/71/687443671.db2.gz GHZJRDOSRZNTHF-SNVBAGLBSA-N 0 3 313.195 2.422 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ncccc2OCC=C)C1 ZINC001015969143 687485849 /nfs/dbraw/zinc/48/58/49/687485849.db2.gz PYUKSVOOBVWDRI-AWEZNQCLSA-N 0 3 301.390 2.027 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(F)ccc(OC)c2F)C1 ZINC001016049560 687511543 /nfs/dbraw/zinc/51/15/43/687511543.db2.gz MABPSYAKAMNIDE-LLVKDONJSA-N 0 3 310.344 2.354 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001016142483 687535858 /nfs/dbraw/zinc/53/58/58/687535858.db2.gz XARTVUWHGLGFQH-GDBMZVCRSA-N 0 3 302.805 2.194 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001016231340 687564741 /nfs/dbraw/zinc/56/47/41/687564741.db2.gz YOONNKAETNBJBR-SFHVURJKSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001016309496 687587147 /nfs/dbraw/zinc/58/71/47/687587147.db2.gz VHWRDXBBTLKSHM-GXTWGEPZSA-N 0 3 306.356 2.282 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2scnc2CC)CC1 ZINC001016655180 687675435 /nfs/dbraw/zinc/67/54/35/687675435.db2.gz UDVKGPYFIYVHCH-AWEZNQCLSA-N 0 3 317.458 2.313 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3ncccc32)CC1 ZINC001016761218 687697431 /nfs/dbraw/zinc/69/74/31/687697431.db2.gz UHTAOFBRLDWTSP-GOSISDBHSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3c(c2)[C@H](C)CO3)CC1 ZINC001016787022 687701976 /nfs/dbraw/zinc/70/19/76/687701976.db2.gz RQRDMZNYXJWLQA-RDTXWAMCSA-N 0 3 324.424 2.400 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2nc(Cl)cs2)CC1 ZINC001016790828 687703587 /nfs/dbraw/zinc/70/35/87/687703587.db2.gz JSZHZWMTNSRPHF-LLVKDONJSA-N 0 3 323.849 2.404 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001016812286 687707866 /nfs/dbraw/zinc/70/78/66/687707866.db2.gz LZNMYRSNMQVERR-ZDUSSCGKSA-N 0 3 305.809 2.276 20 30 DEEDHN C[C@H](NC(=O)[C@]1(C#N)CCCOC1)[C@@H](c1ccccc1)N(C)C ZINC000867471010 687708130 /nfs/dbraw/zinc/70/81/30/687708130.db2.gz VWWJAGMLLQVNSB-ZVZYQTTQSA-N 0 3 315.417 2.114 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C3CC3)nc2C)CC1 ZINC001016831623 687713064 /nfs/dbraw/zinc/71/30/64/687713064.db2.gz AUOPWUPSIKVRSO-SFHVURJKSA-N 0 3 323.440 2.485 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3cc[nH]c32)CC1 ZINC001016833349 687713174 /nfs/dbraw/zinc/71/31/74/687713174.db2.gz QOXKXHKRFUDSBA-MRXNPFEDSA-N 0 3 307.397 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2CCC(F)(F)CC2)CC1 ZINC001016847084 687717395 /nfs/dbraw/zinc/71/73/95/687717395.db2.gz JIKOPHGWXSPVJE-AWEZNQCLSA-N 0 3 310.388 2.416 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cnoc2C(C)C)CC1 ZINC001016904399 687731690 /nfs/dbraw/zinc/73/16/90/687731690.db2.gz BAHYNLDPZDOLLX-OAHLLOKOSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ncsc2C(C)C)CC1 ZINC001016923846 687734682 /nfs/dbraw/zinc/73/46/82/687734682.db2.gz NQDUZAIVOASQGP-ZDUSSCGKSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccoc2CCC)CC1 ZINC001016928871 687736881 /nfs/dbraw/zinc/73/68/81/687736881.db2.gz ATKQJJNMTZGRNO-MRXNPFEDSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2cc(C)ccc2F)CC1 ZINC001016941507 687739221 /nfs/dbraw/zinc/73/92/21/687739221.db2.gz SAMYNVKHVGFXTJ-QGZVFWFLSA-N 0 3 314.404 2.281 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccccc2OC)CC1 ZINC001016943376 687739884 /nfs/dbraw/zinc/73/98/84/687739884.db2.gz LYZQZODTSZBNJV-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2occ3c2CCCC3)CC1 ZINC001016946478 687740568 /nfs/dbraw/zinc/74/05/68/687740568.db2.gz NMSQOPIFFGYDKY-MRXNPFEDSA-N 0 3 312.413 2.376 20 30 DEEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCCN(C(C)=O)C1 ZINC001017004075 687755476 /nfs/dbraw/zinc/75/54/76/687755476.db2.gz CNYNSDGBPQVEGK-MRXNPFEDSA-N 0 3 315.417 2.257 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)C2CCOCC2)CC1 ZINC001017007145 687756637 /nfs/dbraw/zinc/75/66/37/687756637.db2.gz HJWUWWCDQAZWKL-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN Cc1noc(C)c1CN(C)C[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001017072969 687781264 /nfs/dbraw/zinc/78/12/64/687781264.db2.gz XOXPXSLFMJJMFZ-WFASDCNBSA-N 0 3 318.421 2.122 20 30 DEEDHN Cc1oncc1CN(C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125133 687796488 /nfs/dbraw/zinc/79/64/88/687796488.db2.gz BLKODVIMWFGNGX-INIZCTEOSA-N 0 3 315.417 2.067 20 30 DEEDHN Cc1cncc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)c1 ZINC000868050819 687893539 /nfs/dbraw/zinc/89/35/39/687893539.db2.gz ZDEBIGWDYOSMKQ-HOTGVXAUSA-N 0 3 300.406 2.465 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001017585076 687918238 /nfs/dbraw/zinc/91/82/38/687918238.db2.gz VRPFZIBWQPZZKQ-BHYGNILZSA-N 0 3 316.449 2.079 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](OC)C1 ZINC001017864631 687976665 /nfs/dbraw/zinc/97/66/65/687976665.db2.gz LASLZFCBMHIMAW-NXOAAHMSSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C(C)C ZINC001018011499 688027635 /nfs/dbraw/zinc/02/76/35/688027635.db2.gz FTNTVMZKGGBJAP-IYBDPMFKSA-N 0 3 316.449 2.258 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccnc12 ZINC001018176546 688071098 /nfs/dbraw/zinc/07/10/98/688071098.db2.gz LEYJOOPKROUWSF-OKILXGFUSA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2cccnc2C1 ZINC001018222346 688085053 /nfs/dbraw/zinc/08/50/53/688085053.db2.gz JRDGSHRONDTURC-YESZJQIVSA-N 0 3 311.429 2.048 20 30 DEEDHN CC(C)CC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018432065 688135038 /nfs/dbraw/zinc/13/50/38/688135038.db2.gz DKVHBAVYNBIOGG-HNNXBMFYSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@H](NC[C@H](O)CC#N)c1ccc(N2CCCCC2=O)cc1 ZINC000930526013 694182094 /nfs/dbraw/zinc/18/20/94/694182094.db2.gz FIDGOEGUADRKHS-XJKSGUPXSA-N 0 3 301.390 2.129 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)c3cc[nH]c3)C2)ccc1F ZINC001018895761 688248107 /nfs/dbraw/zinc/24/81/07/688248107.db2.gz VNTQPSNSMBKSLH-HNNXBMFYSA-N 0 3 312.348 2.030 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001019880158 688418529 /nfs/dbraw/zinc/41/85/29/688418529.db2.gz CENDHHSRFTUHPS-DQPZFDDXSA-N 0 3 300.377 2.143 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001020119690 688467211 /nfs/dbraw/zinc/46/72/11/688467211.db2.gz QZJQIMCJPLPIOJ-XKNYDFJKSA-N 0 3 323.181 2.033 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001020257839 688491859 /nfs/dbraw/zinc/49/18/59/688491859.db2.gz TZJFBDQCYAANRB-HAQNSBGRSA-N 0 3 312.772 2.437 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001029012420 688549184 /nfs/dbraw/zinc/54/91/84/688549184.db2.gz LASFIEUTKVVJSX-XOKHGSTOSA-N 0 3 300.377 2.001 20 30 DEEDHN COCC(COC)N1CCN(CCCCC2(C#N)CCC2)CC1 ZINC000930712059 694223593 /nfs/dbraw/zinc/22/35/93/694223593.db2.gz KSIDTBMDVSHHNB-UHFFFAOYSA-N 0 3 323.481 2.130 20 30 DEEDHN N#CCc1ccnc(NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000871731529 688853899 /nfs/dbraw/zinc/85/38/99/688853899.db2.gz XRAGSNQBVOZWEM-OAHLLOKOSA-N 0 3 313.405 2.286 20 30 DEEDHN C=C(C)CN1CC(CNC(=O)c2sccc2CN(C)C)C1 ZINC001031707214 688984131 /nfs/dbraw/zinc/98/41/31/688984131.db2.gz TULJMNBULSVBSO-UHFFFAOYSA-N 0 3 307.463 2.047 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001032231102 689088085 /nfs/dbraw/zinc/08/80/85/689088085.db2.gz CSQCNDWKKAMFPL-UHFFFAOYSA-N 0 3 312.413 2.042 20 30 DEEDHN FC(F)Cn1cc(CNCCOC(F)(F)C(F)(F)F)cn1 ZINC000873158015 689173113 /nfs/dbraw/zinc/17/31/13/689173113.db2.gz AIYATWBVQNVJOW-UHFFFAOYSA-N 0 3 323.212 2.410 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001032411490 689142709 /nfs/dbraw/zinc/14/27/09/689142709.db2.gz QYXPQDMFDRCNKX-QAETUUGQSA-N 0 3 306.450 2.299 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C2CC2)cnn1C ZINC001032439584 689151692 /nfs/dbraw/zinc/15/16/92/689151692.db2.gz RKUYKKSAZNMGLY-GJZGRUSLSA-N 0 3 314.433 2.162 20 30 DEEDHN C#CCOc1ccc(CNCc2ccc(C(=O)OC)n2C)cc1 ZINC000873131631 689165959 /nfs/dbraw/zinc/16/59/59/689165959.db2.gz RUHMWEJMRQRHHP-UHFFFAOYSA-N 0 3 312.369 2.114 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc2O1 ZINC001032506068 689170390 /nfs/dbraw/zinc/17/03/90/689170390.db2.gz XLSAQNCRLBUEIH-XYJFISCASA-N 0 3 312.413 2.241 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]12CCC[C@H]1OCC2 ZINC001032515699 689173301 /nfs/dbraw/zinc/17/33/01/689173301.db2.gz MSCMASMYCPVNHS-CUSZFKRNSA-N 0 3 304.434 2.197 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]cc2c1 ZINC001032591816 689195860 /nfs/dbraw/zinc/19/58/60/689195860.db2.gz SXHAGHXOLWAZSM-HOTGVXAUSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1 ZINC001032657532 689215259 /nfs/dbraw/zinc/21/52/59/689215259.db2.gz PGJFNZCSZQIXBU-HOTGVXAUSA-N 0 3 302.422 2.158 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1csc(C)n1 ZINC001032663296 689216606 /nfs/dbraw/zinc/21/66/06/689216606.db2.gz FVPILHNTGKEOGB-GJZGRUSLSA-N 0 3 305.447 2.245 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C ZINC001032673166 689220343 /nfs/dbraw/zinc/22/03/43/689220343.db2.gz BFFCWHPSXUDUIE-QAETUUGQSA-N 0 3 306.450 2.299 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2ccnc12 ZINC001032679971 689223655 /nfs/dbraw/zinc/22/36/55/689223655.db2.gz UBBCEXCGCLKJCH-GJZGRUSLSA-N 0 3 310.401 2.199 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCCC2)nc1 ZINC001032737758 689242544 /nfs/dbraw/zinc/24/25/44/689242544.db2.gz FLEOBAZIBYEOAZ-IRXDYDNUSA-N 0 3 309.413 2.152 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C(C)C ZINC001032780852 689258777 /nfs/dbraw/zinc/25/87/77/689258777.db2.gz ZPCWDTZFWVXINP-GJZGRUSLSA-N 0 3 316.449 2.408 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001033083384 689381459 /nfs/dbraw/zinc/38/14/59/689381459.db2.gz JPMVHYXHANJUGQ-OLZOCXBDSA-N 0 3 322.840 2.115 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001033104060 689388418 /nfs/dbraw/zinc/38/84/18/689388418.db2.gz SKQYXYHMAMJYGG-CVEARBPZSA-N 0 3 300.402 2.099 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc3n2CCCCC3)C1 ZINC001033180187 689413928 /nfs/dbraw/zinc/41/39/28/689413928.db2.gz FHCOXOSDFALXSV-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3ncn(C)c32)C1 ZINC001033201437 689423846 /nfs/dbraw/zinc/42/38/46/689423846.db2.gz CLSGENUONFAHHO-AWEZNQCLSA-N 0 3 312.417 2.296 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033376291 689481290 /nfs/dbraw/zinc/48/12/90/689481290.db2.gz RULAIFDDMMSECN-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1 ZINC000874828928 689504562 /nfs/dbraw/zinc/50/45/62/689504562.db2.gz YWFMFKYEJWAVRK-ROUUACIJSA-N 0 3 312.413 2.397 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001033502968 689523026 /nfs/dbraw/zinc/52/30/26/689523026.db2.gz UINGYMAFKJMCKU-LBPRGKRZSA-N 0 3 311.813 2.288 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001033507817 689524727 /nfs/dbraw/zinc/52/47/27/689524727.db2.gz LAQGKOISHMBSPE-MRXNPFEDSA-N 0 3 312.417 2.145 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001033626034 689564542 /nfs/dbraw/zinc/56/45/42/689564542.db2.gz MWWSWICVBKCIIF-MSOLQXFVSA-N 0 3 314.429 2.237 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001033672943 689580291 /nfs/dbraw/zinc/58/02/91/689580291.db2.gz UERAYXBCRPLKLC-GDBMZVCRSA-N 0 3 318.392 2.238 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CC2CCC(OC)CC2)C1 ZINC001033714558 689592258 /nfs/dbraw/zinc/59/22/58/689592258.db2.gz FRHJXFRAQIMHPL-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001033730150 689599546 /nfs/dbraw/zinc/59/95/46/689599546.db2.gz SAVATPICQKZRAU-DLBZAZTESA-N 0 3 314.429 2.407 20 30 DEEDHN N#Cc1ccccc1NC1CCN(CCO[C@H]2CCOC2)CC1 ZINC000931032344 694298199 /nfs/dbraw/zinc/29/81/99/694298199.db2.gz KRKIYZFWLDYUQT-KRWDZBQOSA-N 0 3 315.417 2.240 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001033837052 689632477 /nfs/dbraw/zinc/63/24/77/689632477.db2.gz QVJLBJQCJGMEBK-HZPDHXFCSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnc3[nH]cnc32)C1 ZINC001033851229 689638316 /nfs/dbraw/zinc/63/83/16/689638316.db2.gz YJBRKTVBDXVREP-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2F)C1 ZINC001033884581 689649875 /nfs/dbraw/zinc/64/98/75/689649875.db2.gz FTFIIZYADHBDAJ-AWEZNQCLSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(F)ccc2OC)C1 ZINC001033914206 689659762 /nfs/dbraw/zinc/65/97/62/689659762.db2.gz BZFQLUOSLLEGQL-HNNXBMFYSA-N 0 3 318.392 2.394 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C[C@H](C)OC)C2)cc1 ZINC001033922906 689662797 /nfs/dbraw/zinc/66/27/97/689662797.db2.gz NFYHELLFINRWQT-MAUKXSAKSA-N 0 3 314.429 2.239 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033976229 689680291 /nfs/dbraw/zinc/68/02/91/689680291.db2.gz KIFZJADLCPRSSA-GOSISDBHSA-N 0 3 309.413 2.499 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001034009118 689692128 /nfs/dbraw/zinc/69/21/28/689692128.db2.gz GTAWFIRSZDMORL-AWEZNQCLSA-N 0 3 302.422 2.400 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001034051039 689706205 /nfs/dbraw/zinc/70/62/05/689706205.db2.gz LEFBTEPGAHSICI-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034207372 689762835 /nfs/dbraw/zinc/76/28/35/689762835.db2.gz QZUYTGXHQBKWCL-INIZCTEOSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC001034229568 689772699 /nfs/dbraw/zinc/77/26/99/689772699.db2.gz SLBXUQKGEDWFHA-MRXNPFEDSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cncc(COC)c2)C1 ZINC001034246362 689779772 /nfs/dbraw/zinc/77/97/72/689779772.db2.gz FJDSOFFGODTUQX-QGZVFWFLSA-N 0 3 317.433 2.388 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001034285330 689795089 /nfs/dbraw/zinc/79/50/89/689795089.db2.gz NCAFQWPSALCQKR-CQSZACIVSA-N 0 3 302.422 2.141 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001034297063 689799606 /nfs/dbraw/zinc/79/96/06/689799606.db2.gz WNZQQHZRPRTHEW-CQSZACIVSA-N 0 3 304.390 2.027 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000876322001 689801642 /nfs/dbraw/zinc/80/16/42/689801642.db2.gz BVTLRZSLHVOTHF-HNNXBMFYSA-N 0 3 311.470 2.125 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001034308027 689804447 /nfs/dbraw/zinc/80/44/47/689804447.db2.gz RNAVLCMEUAZBJO-CQSZACIVSA-N 0 3 315.417 2.161 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001034327190 689810596 /nfs/dbraw/zinc/81/05/96/689810596.db2.gz XHANXOVQZYTRND-OAHLLOKOSA-N 0 3 302.422 2.072 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001034396114 689834924 /nfs/dbraw/zinc/83/49/24/689834924.db2.gz CJSLBUDULFPBOK-UKRRQHHQSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000876552113 689854120 /nfs/dbraw/zinc/85/41/20/689854120.db2.gz JQXMRPHTEQQSCA-LLVKDONJSA-N 0 3 311.769 2.062 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001034458774 689856935 /nfs/dbraw/zinc/85/69/35/689856935.db2.gz SGVVTTQJWLZMJM-MRXNPFEDSA-N 0 3 316.449 2.209 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001034533476 689888692 /nfs/dbraw/zinc/88/86/92/689888692.db2.gz UNYMPRRIRQJAFR-ZDUSSCGKSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001034553346 689897511 /nfs/dbraw/zinc/89/75/11/689897511.db2.gz LHYAVDVMQFDMFT-HOCLYGCPSA-N 0 3 304.438 2.070 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(C(=O)OC)CCC(CC)CC1 ZINC000876687637 689902804 /nfs/dbraw/zinc/90/28/04/689902804.db2.gz BUENIZURGBGFQB-MQYJIDSJSA-N 0 3 316.829 2.085 20 30 DEEDHN COC(=O)C[C@H]1CCCN1Cc1cc(C#N)ccc1N(C)C ZINC000876765761 689930183 /nfs/dbraw/zinc/93/01/83/689930183.db2.gz ZTTISCRLZKUGSZ-OAHLLOKOSA-N 0 3 301.390 2.152 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000876895555 689966918 /nfs/dbraw/zinc/96/69/18/689966918.db2.gz DTOFNKUVWKYUKI-QWHCGFSZSA-N 0 3 318.751 2.238 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCCc1nccn1CCC ZINC000876899396 689968265 /nfs/dbraw/zinc/96/82/65/689968265.db2.gz WSODBTZALIJNMQ-ZDUSSCGKSA-N 0 3 312.845 2.154 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000877010656 689996416 /nfs/dbraw/zinc/99/64/16/689996416.db2.gz GKVLFTSKGMZDAL-XHDPSFHLSA-N 0 3 316.829 2.085 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001035010863 690008476 /nfs/dbraw/zinc/00/84/76/690008476.db2.gz KIHNPCWBFMAKOL-TZMCWYRMSA-N 0 3 319.453 2.357 20 30 DEEDHN CC[C@@H](C)[C@H](N)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000877216557 690048612 /nfs/dbraw/zinc/04/86/12/690048612.db2.gz WKTQSTKPCVTQIL-WBMJQRKESA-N 0 3 311.389 2.115 20 30 DEEDHN C#CCCCCCCN1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000877505771 690134098 /nfs/dbraw/zinc/13/40/98/690134098.db2.gz YMDABGGRUIWCGR-UHFFFAOYSA-N 0 3 312.479 2.070 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1[C@@H]3CCCC[C@@H]31)CC2 ZINC001035677653 690149483 /nfs/dbraw/zinc/14/94/83/690149483.db2.gz ORTCTWRNLATUDC-FVQHAEBGSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCc1ccoc1)CC2 ZINC001035678515 690150031 /nfs/dbraw/zinc/15/00/31/690150031.db2.gz LSOOMYFGRVXRFE-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#C[C@@H](NCc1ccccc1OCCCCO)C1CCOCC1 ZINC000877637919 690175112 /nfs/dbraw/zinc/17/51/12/690175112.db2.gz PAKNFJJCCLXPDD-GOSISDBHSA-N 0 3 317.429 2.356 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1=CCOCC1)CC2 ZINC001035784695 690175374 /nfs/dbraw/zinc/17/53/74/690175374.db2.gz IQBPSQUJNMZTRM-UHFFFAOYSA-N 0 3 304.434 2.224 20 30 DEEDHN C=C1CCC(C(=O)N2CCC3(CN(C[C@@H](C)O)C3)CC2)CC1 ZINC001035787233 690176007 /nfs/dbraw/zinc/17/60/07/690176007.db2.gz NFLLLCPCBZZRIL-OAHLLOKOSA-N 0 3 306.450 2.038 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnc(C)nc1C)CC2 ZINC001035820124 690184476 /nfs/dbraw/zinc/18/44/76/690184476.db2.gz WBOQROAPRLHXHB-UHFFFAOYSA-N 0 3 314.433 2.208 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](C)n1cccc1)CC2 ZINC001035838945 690189972 /nfs/dbraw/zinc/18/99/72/690189972.db2.gz GZBYJWIOEMYYIK-QGZVFWFLSA-N 0 3 313.445 2.387 20 30 DEEDHN Cc1cnc(CN[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C)s1 ZINC001036039738 690242132 /nfs/dbraw/zinc/24/21/32/690242132.db2.gz XJLJHPCUPNQUHD-DOMZBBRYSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)NCc2nccn2C)C1 ZINC001036439902 690351093 /nfs/dbraw/zinc/35/10/93/690351093.db2.gz MHJSAZYQKPLYBP-LSDHHAIUSA-N 0 3 318.465 2.349 20 30 DEEDHN O=C(C(F)F)N1CC[C@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036611399 690399955 /nfs/dbraw/zinc/39/99/55/690399955.db2.gz CNVXCYYAOFGZKQ-CVEARBPZSA-N 0 3 318.367 2.226 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CCc3c[nH]cn3)CC[C@H]21 ZINC001036733557 690450231 /nfs/dbraw/zinc/45/02/31/690450231.db2.gz CUPZNKLVOXKXBR-UKRRQHHQSA-N 0 3 322.840 2.018 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)CC[C@H]21 ZINC001036733557 690450235 /nfs/dbraw/zinc/45/02/35/690450235.db2.gz CUPZNKLVOXKXBR-UKRRQHHQSA-N 0 3 322.840 2.018 20 30 DEEDHN C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1[O-] ZINC000879650378 690699192 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C#CCN1CC[C@@H]2CCN(C(=O)Cc3cc(C)ccc3F)C[C@@H]21 ZINC001042320772 691568845 /nfs/dbraw/zinc/56/88/45/691568845.db2.gz VKDCFTQFARSMBE-QAPCUYQASA-N 0 3 314.404 2.233 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]21 ZINC001042322184 691569940 /nfs/dbraw/zinc/56/99/40/691569940.db2.gz MOWQVNSLIWRHKO-DOMZBBRYSA-N 0 3 305.809 2.457 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cc(Cl)no3)C[C@H]21 ZINC001042321973 691570022 /nfs/dbraw/zinc/57/00/22/691570022.db2.gz JGTIJSHBVNBGEF-VXGBXAGGSA-N 0 3 309.797 2.441 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)n(C)nc3Cl)C[C@H]21 ZINC001042326316 691571318 /nfs/dbraw/zinc/57/13/18/691571318.db2.gz NKAPYQYVPYEYDU-QWHCGFSZSA-N 0 3 322.840 2.104 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@@H]21 ZINC001042334151 691574180 /nfs/dbraw/zinc/57/41/80/691574180.db2.gz FLWJFIRTMAXZNE-YJBOKZPZSA-N 0 3 313.445 2.475 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3c(C)onc3CC)C[C@H]21 ZINC001042348595 691577968 /nfs/dbraw/zinc/57/79/68/691577968.db2.gz 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NWGGCTDRSNLMOO-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001332999166 1149950247 /nfs/dbraw/zinc/95/02/47/1149950247.db2.gz QVIKRFHUZZMVGT-QFBILLFUSA-N 0 3 320.477 2.455 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N(C)C1CC(NCC(=C)Cl)C1 ZINC001333043323 1149968799 /nfs/dbraw/zinc/96/87/99/1149968799.db2.gz UNWOLJFNUMFSJX-IYXRBSQSSA-N 0 3 300.830 2.299 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001343935759 1150785516 /nfs/dbraw/zinc/78/55/16/1150785516.db2.gz FJDXXBLNNAAYOR-ZNMIVQPWSA-N 0 3 321.469 2.217 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COc2ccc(C)cc2)C1 ZINC001402544302 1162387074 /nfs/dbraw/zinc/38/70/74/1162387074.db2.gz OYIXIMZXVYTJCC-HDJSIYSDSA-N 0 3 308.809 2.363 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2scnc2C)C1 ZINC001402549093 1162387907 /nfs/dbraw/zinc/38/79/07/1162387907.db2.gz MUEFLGQOFQCQFJ-HAQNSBGRSA-N 0 3 313.854 2.373 20 30 DEEDHN Cc1cccnc1CN1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001402593421 1162404302 /nfs/dbraw/zinc/40/43/02/1162404302.db2.gz DMBPJACELUBNDO-GJZGRUSLSA-N 0 3 300.406 2.020 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(OC)c(Cl)n1 ZINC001349701474 1151273640 /nfs/dbraw/zinc/27/36/40/1151273640.db2.gz GKDDPIXTNUGEJJ-SECBINFHSA-N 0 3 304.737 2.450 20 30 DEEDHN CCn1c(CCCCC#N)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001352420384 1151735938 /nfs/dbraw/zinc/73/59/38/1151735938.db2.gz LGMNSOLJGLAEFQ-LSDHHAIUSA-N 0 3 318.469 2.453 20 30 DEEDHN C[C@@H](CNC(=O)C1CCCC1)NCc1ccc(F)c(C#N)c1 ZINC001480414352 1151779187 /nfs/dbraw/zinc/77/91/87/1151779187.db2.gz FSKYSEOCJICNOG-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC001354330120 1151886638 /nfs/dbraw/zinc/88/66/38/1151886638.db2.gz HCFBRVIMOQCMNF-TUAOUCFPSA-N 0 3 308.344 2.238 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](OC)c1cccc(OC)c1 ZINC001354371115 1151890553 /nfs/dbraw/zinc/89/05/53/1151890553.db2.gz XYKZUSOYJLSBGY-CVEARBPZSA-N 0 3 306.406 2.183 20 30 DEEDHN CC[C@H](F)CNC[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001402749008 1162458695 /nfs/dbraw/zinc/45/86/95/1162458695.db2.gz IEQXBOPBIQFKKH-ZFWWWQNUSA-N 0 3 306.385 2.219 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001356325425 1152074406 /nfs/dbraw/zinc/07/44/06/1152074406.db2.gz SMYWCTLZHMXMTM-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](C(C)C)C(C)(C)O)c1C#N ZINC001413991374 1152403342 /nfs/dbraw/zinc/40/33/42/1152403342.db2.gz NAZUUJJFZGPWJR-HNNXBMFYSA-N 0 3 304.390 2.230 20 30 DEEDHN C[C@@H](CCNC(=O)c1cncs1)NCc1ccccc1C#N ZINC001381185521 1152941357 /nfs/dbraw/zinc/94/13/57/1152941357.db2.gz JWFUVCICUYGJRG-LBPRGKRZSA-N 0 3 314.414 2.313 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2occ3c2CCOC3)C1 ZINC001381959069 1153289211 /nfs/dbraw/zinc/28/92/11/1153289211.db2.gz SRJZFQMTLJYRDI-AULYBMBSSA-N 0 3 324.808 2.203 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001381964801 1153292812 /nfs/dbraw/zinc/29/28/12/1153292812.db2.gz AGPVULQPWPKUBZ-NNUKFRKNSA-N 0 3 320.820 2.472 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC(c3ccncn3)CC2)c1 ZINC001363260212 1153299316 /nfs/dbraw/zinc/29/93/16/1153299316.db2.gz SIYWSSCYISWBJH-SFHVURJKSA-N 0 3 308.385 2.261 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ncc3ccccn32)C1 ZINC001402927578 1162544661 /nfs/dbraw/zinc/54/46/61/1162544661.db2.gz ZNZLEUFBZSJPQT-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)COCC2CCCC2)C1 ZINC001402928666 1162546595 /nfs/dbraw/zinc/54/65/95/1162546595.db2.gz VLNBOLQPACTXBN-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001402934966 1162553293 /nfs/dbraw/zinc/55/32/93/1162553293.db2.gz WFPMWZNFHXYHJH-VCANKDNSSA-N 0 3 324.856 2.065 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1c(C)cccc1C#N ZINC001364000449 1153757522 /nfs/dbraw/zinc/75/75/22/1153757522.db2.gz QRBHMBRSEVUAPV-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccc(CC)cn2)C1 ZINC001388727192 1155074881 /nfs/dbraw/zinc/07/48/81/1155074881.db2.gz PAMODIGSGHSSLR-KOMQPUFPSA-N 0 3 321.852 2.423 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cn(C)cn1 ZINC001389345929 1155315262 /nfs/dbraw/zinc/31/52/62/1155315262.db2.gz MPUIPCGIWXWBHJ-GXTWGEPZSA-N 0 3 310.829 2.145 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001389359570 1155319500 /nfs/dbraw/zinc/31/95/00/1155319500.db2.gz TZGGFIAKZJCZOS-UKRRQHHQSA-N 0 3 324.856 2.074 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(Cl)no1)NCc1ccc(C#N)s1 ZINC001403091497 1162702024 /nfs/dbraw/zinc/70/20/24/1162702024.db2.gz AKGJNESXZRRDAU-QMMMGPOBSA-N 0 3 324.793 2.169 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001389968056 1155485556 /nfs/dbraw/zinc/48/55/56/1155485556.db2.gz TUVZOZBRSRVUFA-YUELXQCFSA-N 0 3 300.406 2.101 20 30 DEEDHN C[C@H](CCNC(=O)Cc1cccnc1)NCc1ccccc1C#N ZINC001371739532 1155993311 /nfs/dbraw/zinc/99/33/11/1155993311.db2.gz HEFTVHACKCARMK-OAHLLOKOSA-N 0 3 322.412 2.180 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2cnccc2n1 ZINC001371850295 1156041902 /nfs/dbraw/zinc/04/19/02/1156041902.db2.gz KJQCURCUGRYBHQ-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001403125174 1162760239 /nfs/dbraw/zinc/76/02/39/1162760239.db2.gz IWSWKWFIOCJWDO-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN CC[C@H](CNC(=O)c1cc(C)no1)NCc1ccc(C#N)s1 ZINC001391656479 1156654543 /nfs/dbraw/zinc/65/45/43/1156654543.db2.gz HHCJRXAUOIQSPY-LLVKDONJSA-N 0 3 318.402 2.214 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)c1cc[nH]c1 ZINC001392067332 1156861241 /nfs/dbraw/zinc/86/12/41/1156861241.db2.gz SJTIUIDORVEREX-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CC[C@@H](F)CNC[C@H](CC(C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC001392169204 1156880779 /nfs/dbraw/zinc/88/07/79/1156880779.db2.gz OKRIJTAWIZIFBJ-HIFRSBDPSA-N 0 3 308.401 2.369 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnn(C)c1CC)C(C)C ZINC001392222063 1156896643 /nfs/dbraw/zinc/89/66/43/1156896643.db2.gz KZJURDFRLUEPHE-CYBMUJFWSA-N 0 3 312.845 2.079 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001392471122 1157063415 /nfs/dbraw/zinc/06/34/15/1157063415.db2.gz JSLDJRSEBPLMOD-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)[nH]1 ZINC001374075420 1157600381 /nfs/dbraw/zinc/60/03/81/1157600381.db2.gz OVAPSCWPZLNUHN-QLFBSQMISA-N 0 3 312.417 2.080 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001374874065 1158068894 /nfs/dbraw/zinc/06/88/94/1158068894.db2.gz APJAKOTVLSBRPM-RYUDHWBXSA-N 0 3 323.437 2.291 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001394382599 1158457512 /nfs/dbraw/zinc/45/75/12/1158457512.db2.gz ODRYLFSJUYWLTL-UMVBOHGHSA-N 0 3 320.820 2.400 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001394800039 1158783474 /nfs/dbraw/zinc/78/34/74/1158783474.db2.gz BYUWZJZIBHFHHA-CQSZACIVSA-N 0 3 301.862 2.002 20 30 DEEDHN CC1(C(=O)NC[C@H]2C[C@@H](NCc3ccc(C#N)cc3F)C2)CC1 ZINC001375500787 1158777248 /nfs/dbraw/zinc/77/72/48/1158777248.db2.gz SAQFPJIBOWBILW-OTVXOJSOSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2cscn2)C1 ZINC001375578025 1158818594 /nfs/dbraw/zinc/81/85/94/1158818594.db2.gz UTJYNTDOOBUFJE-NWDGAFQWSA-N 0 3 313.854 2.313 20 30 DEEDHN COCCC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001375730578 1158856466 /nfs/dbraw/zinc/85/64/66/1158856466.db2.gz BEQGTTGTFDPVLN-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1nocc1CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C2 ZINC001376366196 1159364927 /nfs/dbraw/zinc/36/49/27/1159364927.db2.gz NMLWXVOGHDBTGM-XABYNWHXSA-N 0 3 316.405 2.002 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@]2(C)CCOC2)C1 ZINC001397167762 1160030235 /nfs/dbraw/zinc/03/02/35/1160030235.db2.gz DWTPNZDFPORTPP-GZBFAFLISA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1OCC ZINC001397179345 1160036131 /nfs/dbraw/zinc/03/61/31/1160036131.db2.gz WXSDGNKRWMHCQU-RRFJBIMHSA-N 0 3 316.873 2.484 20 30 DEEDHN CC1(C(=O)NC[C@@H](NCc2cc(C#N)ccc2F)C2CC2)CC1 ZINC001398423057 1160884822 /nfs/dbraw/zinc/88/48/22/1160884822.db2.gz WHVZEZHNYXZODC-MRXNPFEDSA-N 0 3 315.392 2.482 20 30 DEEDHN CC[C@@H](F)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001399387203 1161372966 /nfs/dbraw/zinc/37/29/66/1161372966.db2.gz OSIPKJBWKQMNBI-BXUZGUMPSA-N 0 3 309.360 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1CCOC1CCCCCC1 ZINC001399832519 1161583057 /nfs/dbraw/zinc/58/30/57/1161583057.db2.gz NKXNCFQUZNJAAY-CVEARBPZSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1CCOC1CCCCCC1 ZINC001399832558 1161583352 /nfs/dbraw/zinc/58/33/52/1161583352.db2.gz NKXNCFQUZNJAAY-JKSUJKDBSA-N 0 3 321.465 2.466 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1cc(OC)ccc1Cl ZINC001400792611 1161822350 /nfs/dbraw/zinc/82/23/50/1161822350.db2.gz DNRVVXDFJGYMRT-YPMHNXCESA-N 0 3 323.824 2.493 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C2CCC(O)CC2)CCCC1 ZINC001401175189 1161887136 /nfs/dbraw/zinc/88/71/36/1161887136.db2.gz CGHWUNBGDJIICJ-UHFFFAOYSA-N 0 3 314.857 2.309 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)N(C)C(=O)CCCF ZINC001401238721 1161901417 /nfs/dbraw/zinc/90/14/17/1161901417.db2.gz HEQANTHNKDYEAC-ZDUSSCGKSA-N 0 3 321.396 2.253 20 30 DEEDHN Cc1nocc1CN(C)CCC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001401308831 1161923549 /nfs/dbraw/zinc/92/35/49/1161923549.db2.gz RLXQEJZTZQHZBW-ZDUSSCGKSA-N 0 3 318.421 2.203 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001401615676 1162047467 /nfs/dbraw/zinc/04/74/67/1162047467.db2.gz HGXBUTFUWUOWIY-NEPJUHHUSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C)[nH]c1=O)C1CC1 ZINC001405472279 1164108494 /nfs/dbraw/zinc/10/84/94/1164108494.db2.gz PECOFQLIUCOFEC-MRXNPFEDSA-N 0 3 323.824 2.336 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(CC)nn1C)C1CC1 ZINC001405497237 1164120854 /nfs/dbraw/zinc/12/08/54/1164120854.db2.gz IJCWXSBCRRPLNP-INIZCTEOSA-N 0 3 324.856 2.223 20 30 DEEDHN CC(C)OCC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001405793267 1164243183 /nfs/dbraw/zinc/24/31/83/1164243183.db2.gz IMNZIRJLWYOPNV-ZDUSSCGKSA-N 0 3 321.396 2.059 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)CCOc1ccccc1C ZINC001492951182 1164567240 /nfs/dbraw/zinc/56/72/40/1164567240.db2.gz JUAZSQLOFVKUML-UHFFFAOYSA-N 0 3 316.445 2.471 20 30 DEEDHN COc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H](C)C#N)c1C ZINC001406582642 1164692610 /nfs/dbraw/zinc/69/26/10/1164692610.db2.gz DHKBFSLVTIYJIM-STQMWFEESA-N 0 3 303.406 2.100 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001408201372 1165529825 /nfs/dbraw/zinc/52/98/25/1165529825.db2.gz YUXJHHKXNZFCJP-JTQLQIEISA-N 0 3 323.780 2.384 20 30 DEEDHN CCC(=O)N1CC2(C1)CCN(Cc1ccc(OCC#N)cc1)C2 ZINC001415226827 1166176067 /nfs/dbraw/zinc/17/60/67/1166176067.db2.gz GOOMMKFRQYTJQV-UHFFFAOYSA-N 0 3 313.401 2.033 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001417775928 1167206092 /nfs/dbraw/zinc/20/60/92/1167206092.db2.gz KLIYTDSBXJSCJY-MELADBBJSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001417899689 1167292179 /nfs/dbraw/zinc/29/21/79/1167292179.db2.gz PYWOEXYXFOIMOB-GXTWGEPZSA-N 0 3 308.813 2.202 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001417992853 1167349249 /nfs/dbraw/zinc/34/92/49/1167349249.db2.gz WLEPHNNTIJVKQI-ZBFHGGJFSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@H](CNC(=O)c1nccs1)NCc1ccc(F)c(C#N)c1 ZINC001418291729 1167553795 /nfs/dbraw/zinc/55/37/95/1167553795.db2.gz SMRSJUBHZHZLQX-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CC[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001419451133 1168498610 /nfs/dbraw/zinc/49/86/10/1168498610.db2.gz FOUVCPOAYIHHLW-DFBGVHRSSA-N 0 3 303.381 2.480 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H](C)CNCc1ccccc1OC1CC1 ZINC001419647263 1168747386 /nfs/dbraw/zinc/74/73/86/1168747386.db2.gz KDEWBWFKVSOKSY-KGLIPLIRSA-N 0 3 315.417 2.324 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1c[nH]cc1C ZINC001420159746 1169201909 /nfs/dbraw/zinc/20/19/09/1169201909.db2.gz HDHPOXQTXZAZOV-LLVKDONJSA-N 0 3 314.227 2.330 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)Cc3ccc[nH]3)C2)c1 ZINC001420562557 1169801114 /nfs/dbraw/zinc/80/11/14/1169801114.db2.gz YQTSIGSLUQXVQZ-KRWDZBQOSA-N 0 3 322.412 2.067 20 30 DEEDHN Cc1nc(C)c(CN2CCC(C)(NC(=O)[C@H](C)C#N)CC2)s1 ZINC001421137005 1171522223 /nfs/dbraw/zinc/52/22/23/1171522223.db2.gz GARULAONXVXBOW-LLVKDONJSA-N 0 3 320.462 2.390 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001421566873 1171850676 /nfs/dbraw/zinc/85/06/76/1171850676.db2.gz CKWRKFNQUKZSGU-BBRMVZONSA-N 0 3 314.857 2.430 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001421740649 1171951795 /nfs/dbraw/zinc/95/17/95/1171951795.db2.gz WLVXPDQMAMIVGJ-XJKSGUPXSA-N 0 3 305.397 2.394 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001421838764 1172033079 /nfs/dbraw/zinc/03/30/79/1172033079.db2.gz PILFMKMKFROUKJ-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001422257470 1172444288 /nfs/dbraw/zinc/44/42/88/1172444288.db2.gz ZADLZELEOKOIKN-UHFFFAOYSA-N 0 3 324.856 2.394 20 30 DEEDHN O=C1C=COC2(CCN(C[C@H]3CCC[C@]4(CCOC4)O3)CC2)C1 ZINC001422331763 1172497615 /nfs/dbraw/zinc/49/76/15/1172497615.db2.gz PAUPDUHRHGPUET-SJLPKXTDSA-N 0 3 321.417 2.052 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1[nH]cnc1CC ZINC001422470555 1172618304 /nfs/dbraw/zinc/61/83/04/1172618304.db2.gz QRXWBOMFOKCSFC-UHFFFAOYSA-N 0 3 312.845 2.412 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@]1(C)CCCOC1 ZINC001422575970 1172722491 /nfs/dbraw/zinc/72/24/91/1172722491.db2.gz GZFZGJHHKOSKNK-MLGOLLRUSA-N 0 3 321.446 2.031 20 30 DEEDHN COCC(=O)NC[C@@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC001422689193 1172810507 /nfs/dbraw/zinc/81/05/07/1172810507.db2.gz LFKRBICAWAKZIP-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C[C@H](C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1)C1CC1 ZINC001423190141 1173157079 /nfs/dbraw/zinc/15/70/79/1173157079.db2.gz AHDFTETVUNSMFY-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN COc1ccc(CN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)cc1C ZINC001424917826 1174031742 /nfs/dbraw/zinc/03/17/42/1174031742.db2.gz CUENIUNYTFRVPH-KBPBESRZSA-N 0 3 303.406 2.100 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccncc1)NCc1ccc(C#N)s1 ZINC001425532761 1174354714 /nfs/dbraw/zinc/35/47/14/1174354714.db2.gz UQJOCOLXSLFINW-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H](C)n2cccn2)C1 ZINC001426224701 1174658800 /nfs/dbraw/zinc/65/88/00/1174658800.db2.gz SECXGYBUQPMSBL-HSBZDZAISA-N 0 3 310.829 2.166 20 30 DEEDHN N#Cc1nc(N2CCN[C@@H](c3ccc(O)cc3)C2)ccc1Cl ZINC001434447319 1178566925 /nfs/dbraw/zinc/56/69/25/1178566925.db2.gz RQHYSGOBQXIBCZ-OAHLLOKOSA-N 0 3 314.776 2.463 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001436746808 1179214134 /nfs/dbraw/zinc/21/41/34/1179214134.db2.gz HZYRGYKCDQLUSB-BBRMVZONSA-N 0 3 315.392 2.456 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001436911504 1179296364 /nfs/dbraw/zinc/29/63/64/1179296364.db2.gz JSSKZBOTTHOCBL-JOCQHMNTSA-N 0 3 300.830 2.183 20 30 DEEDHN CO[C@H](C)CC(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001437372135 1179769510 /nfs/dbraw/zinc/76/95/10/1179769510.db2.gz ZTYJGRUGJWTJBL-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnc(C)cn2)CCCC1 ZINC001438367162 1180373553 /nfs/dbraw/zinc/37/35/53/1180373553.db2.gz UBXYDZSTUOQHII-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)CC(C)(F)F ZINC001438519790 1180529873 /nfs/dbraw/zinc/52/98/73/1180529873.db2.gz KTQDKXFIKPHLSB-GFCCVEGCSA-N 0 3 309.360 2.445 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001438586373 1180628510 /nfs/dbraw/zinc/62/85/10/1180628510.db2.gz CMKUWPJYXCPRCW-SNVBAGLBSA-N 0 3 304.221 2.484 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001439350961 1181038788 /nfs/dbraw/zinc/03/87/88/1181038788.db2.gz CRIOGSZIEFSALM-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3cncc(F)c3)CC2)c1 ZINC001439604906 1181166743 /nfs/dbraw/zinc/16/67/43/1181166743.db2.gz SIFYCJZSIVZASV-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN Cc1conc1CNC[C@H]1CC[C@H](CNC(=O)[C@H](C)C#N)CC1 ZINC001440126557 1181360571 /nfs/dbraw/zinc/36/05/71/1181360571.db2.gz GEYMOBZCEBRTLK-BPLDGKMQSA-N 0 3 318.421 2.155 20 30 DEEDHN Cc1cncc(CNC2(CNC(=O)c3cc(C#N)c[nH]3)CCC2)c1 ZINC001440310775 1181442024 /nfs/dbraw/zinc/44/20/24/1181442024.db2.gz ZYJVXEHKAFTHQL-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)CCC(F)(F)F ZINC001440438807 1181515318 /nfs/dbraw/zinc/51/53/18/1181515318.db2.gz YASRXJJCRPULQT-UHFFFAOYSA-N 0 3 316.327 2.233 20 30 DEEDHN CC[C@H](F)C(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC001440755939 1181676104 /nfs/dbraw/zinc/67/61/04/1181676104.db2.gz JYWYLBIESFWYDY-ZALBZXLWSA-N 0 3 321.371 2.430 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)no1 ZINC001440900500 1181752859 /nfs/dbraw/zinc/75/28/59/1181752859.db2.gz PHOKQIYIMCQSEU-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440917410 1181773972 /nfs/dbraw/zinc/77/39/72/1181773972.db2.gz YFRQISLNGPNYEO-QWHCGFSZSA-N 0 3 305.447 2.246 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](C)C#N)N(C)CCOc1ccccc1Cl ZINC001440919941 1181775129 /nfs/dbraw/zinc/77/51/29/1181775129.db2.gz XLFWBNMSNVBJEN-QWHCGFSZSA-N 0 3 323.824 2.315 20 30 DEEDHN Cc1nocc1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440960869 1181800139 /nfs/dbraw/zinc/80/01/39/1181800139.db2.gz AEFLMIUNLASJEV-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001441234505 1181907628 /nfs/dbraw/zinc/90/76/28/1181907628.db2.gz VPUSVHBTMMWHHD-HOCLYGCPSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001441503597 1182028340 /nfs/dbraw/zinc/02/83/40/1182028340.db2.gz FCPMYNQPALCALK-DTORHVGOSA-N 0 3 311.170 2.177 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001444098165 1183284526 /nfs/dbraw/zinc/28/45/26/1183284526.db2.gz CXBYYKWPCDWVEO-HNNXBMFYSA-N 0 3 311.788 2.461 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)CCCF)s1 ZINC001444249263 1183322946 /nfs/dbraw/zinc/32/29/46/1183322946.db2.gz YKPNGDXGXRUWDC-GFCCVEGCSA-N 0 3 309.410 2.450 20 30 DEEDHN C#CCN(CC#C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001444553839 1183449654 /nfs/dbraw/zinc/44/96/54/1183449654.db2.gz NXIJGZDKEPSMQY-SFHVURJKSA-N 0 3 322.452 2.425 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)C2CCC2)C1 ZINC001447794585 1184876364 /nfs/dbraw/zinc/87/63/64/1184876364.db2.gz TXRQVLWRPJLEGU-UHFFFAOYSA-N 0 3 301.228 2.180 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H](C)NC(=O)C1(C)CC1 ZINC001447852736 1184897328 /nfs/dbraw/zinc/89/73/28/1184897328.db2.gz KQXWJUKKWSFRID-STQMWFEESA-N 0 3 315.417 2.350 20 30 DEEDHN COc1cc(CN(C)[C@H](C)CNC(=O)[C@H](C)C#N)ccc1C ZINC001447992740 1185005647 /nfs/dbraw/zinc/00/56/47/1185005647.db2.gz IRGMHUACVAADCQ-ZIAGYGMSSA-N 0 3 303.406 2.100 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H](F)CC ZINC001448598148 1185314480 /nfs/dbraw/zinc/31/44/80/1185314480.db2.gz XQBHQWVZFYNCOZ-RYUDHWBXSA-N 0 3 321.234 2.470 20 30 DEEDHN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NCc1ccsc1 ZINC001448647430 1185344003 /nfs/dbraw/zinc/34/40/03/1185344003.db2.gz HHJWZCCRCXZRGB-LLVKDONJSA-N 0 3 302.403 2.198 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)c1csc(=O)[nH]1)C(C)(C)C ZINC001449286662 1185623080 /nfs/dbraw/zinc/62/30/80/1185623080.db2.gz CWZISBZHOGCVBS-JTQLQIEISA-N 0 3 317.842 2.335 20 30 DEEDHN C#CCN(C(=O)c1cc2c(o1)CCCC2)C1CCN(C)CC1 ZINC001348267633 1151140092 /nfs/dbraw/zinc/14/00/92/1151140092.db2.gz YXBCNWDIOOODEE-UHFFFAOYSA-N 0 3 300.402 2.328 20 30 DEEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(F)F ZINC001331954265 1149799492 /nfs/dbraw/zinc/79/94/92/1149799492.db2.gz PDXBLYWHQGRFOJ-DZGCQCFKSA-N 0 3 306.356 2.272 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)c(C)cc2F)C1 ZINC001331996130 1149805289 /nfs/dbraw/zinc/80/52/89/1149805289.db2.gz MBBMEXNOFKERRU-OLZOCXBDSA-N 0 3 306.356 2.489 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)c(C)c2)C1 ZINC001332029305 1149810195 /nfs/dbraw/zinc/81/01/95/1149810195.db2.gz FHCNKFXJZJFNNA-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)[C@H](F)C(C)C)CCC[C@@H]12 ZINC001332098547 1149819429 /nfs/dbraw/zinc/81/94/29/1149819429.db2.gz DARSBSQBSSAHLW-BFYDXBDKSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)c3c[n-]nn3)CCC[C@H]12 ZINC001332102677 1149820067 /nfs/dbraw/zinc/82/00/67/1149820067.db2.gz YMGPKUWGHATGSR-DOTOQJQBSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@]2(NC(=O)c3c[n-]nn3)CCC[C@H]12 ZINC001332102677 1149820069 /nfs/dbraw/zinc/82/00/69/1149820069.db2.gz YMGPKUWGHATGSR-DOTOQJQBSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@H]12 ZINC001332102677 1149820073 /nfs/dbraw/zinc/82/00/73/1149820073.db2.gz YMGPKUWGHATGSR-DOTOQJQBSA-N 0 3 317.437 2.278 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@]2(NC(=O)c3cnn[n-]3)CCC[C@H]12 ZINC001332102677 1149820075 /nfs/dbraw/zinc/82/00/75/1149820075.db2.gz YMGPKUWGHATGSR-DOTOQJQBSA-N 0 3 317.437 2.278 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(COC)CCCC2)[C@@H]1C ZINC001332183136 1149831439 /nfs/dbraw/zinc/83/14/39/1149831439.db2.gz ASBRXUGNSYVCHH-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCCC(=O)C(C#N)C(=O)NCCc1ccc(OC)cc1 ZINC000176539323 782522707 /nfs/dbraw/zinc/52/27/07/782522707.db2.gz UGKMGBOMSZJDIV-MRXNPFEDSA-N 0 3 314.385 2.419 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3Cc4ccc(F)cc43)C2)C1 ZINC001072918028 790302043 /nfs/dbraw/zinc/30/20/43/790302043.db2.gz NXVSMLJTDVLOEZ-KRWDZBQOSA-N 0 3 312.388 2.023 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)n2C)CC(C)(C)C1 ZINC001089317691 782533915 /nfs/dbraw/zinc/53/39/15/782533915.db2.gz LIOHSMFUXDEZHY-OAHLLOKOSA-N 0 3 301.434 2.187 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2cnc(C)nc2)C1 ZINC001333102667 1149999340 /nfs/dbraw/zinc/99/93/40/1149999340.db2.gz JBYQKGKBANXMDQ-UHFFFAOYSA-N 0 3 302.422 2.076 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](CN[C@@H](C)c2nnc(C)[nH]2)[C@H](C)C1 ZINC001106611718 782812085 /nfs/dbraw/zinc/81/20/85/782812085.db2.gz BTMQLWKIIRQBKR-VNHYZAJKSA-N 0 3 319.453 2.215 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(CC)c2)CC(C)(C)C1 ZINC001089344903 782890266 /nfs/dbraw/zinc/89/02/66/782890266.db2.gz RJPBYPKPJXXZRG-MRXNPFEDSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001083752181 783038675 /nfs/dbraw/zinc/03/86/75/783038675.db2.gz IQTCLZYWCJFGEA-KGLIPLIRSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001060687767 783045557 /nfs/dbraw/zinc/04/55/57/783045557.db2.gz KXGXCPJIDVHPQB-BZUAXINKSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCCOCC2)CC(C)(C)C1 ZINC001089370191 783054378 /nfs/dbraw/zinc/05/43/78/783054378.db2.gz NDNUFTCEVYSARI-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccc(C)cn31)C2 ZINC001095757996 783078394 /nfs/dbraw/zinc/07/83/94/783078394.db2.gz MRBFDPWUWDLKJA-PMPSAXMXSA-N 0 3 322.412 2.001 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccsn2)CC(C)(C)C1 ZINC001089417891 783084826 /nfs/dbraw/zinc/08/48/26/783084826.db2.gz DNGJLBRUIPSGFN-CYBMUJFWSA-N 0 3 305.447 2.387 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C[C@H]1C ZINC000947365484 783117750 /nfs/dbraw/zinc/11/77/50/783117750.db2.gz OANDZACORGZMBG-CVEARBPZSA-N 0 3 316.449 2.145 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C[C@H]1C ZINC000947491935 783151683 /nfs/dbraw/zinc/15/16/83/783151683.db2.gz CQGJRDDVBZIKFY-HUUCEWRRSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccn(C)c2C)CC(C)(C)C1 ZINC001089485849 783153110 /nfs/dbraw/zinc/15/31/10/783153110.db2.gz QGRVPAQZTWZSGB-HNNXBMFYSA-N 0 3 301.434 2.187 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nncc3ccccc32)C[C@H]1C ZINC000947536024 783164302 /nfs/dbraw/zinc/16/43/02/783164302.db2.gz CHEJTGWACKPPPN-UKRRQHHQSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)nnc2C)C[C@H]1C ZINC000947569370 783177325 /nfs/dbraw/zinc/17/73/25/783177325.db2.gz WZDKKHXVJGREQE-DOMZBBRYSA-N 0 3 302.422 2.116 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2occ3c2CCOC3)C[C@@H]1C ZINC000947572219 783177961 /nfs/dbraw/zinc/17/79/61/783177961.db2.gz LYEDJEFLKNAUSZ-GXTWGEPZSA-N 0 3 304.390 2.121 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2)CC(C)(C)C1 ZINC001089542091 783193736 /nfs/dbraw/zinc/19/37/36/783193736.db2.gz RBNIZZDIDCMXAL-MRXNPFEDSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c(COC)c2)C[C@@H]1C ZINC000947710721 783210238 /nfs/dbraw/zinc/21/02/38/783210238.db2.gz OXUAEFRCUIDUHE-XJKSGUPXSA-N 0 3 318.392 2.188 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2noc3c2CCCC3)C[C@H]1C ZINC000947746770 783220677 /nfs/dbraw/zinc/22/06/77/783220677.db2.gz QYOVEQZRYQVKPK-OLZOCXBDSA-N 0 3 303.406 2.322 20 30 DEEDHN CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245958 783220163 /nfs/dbraw/zinc/22/01/63/783220163.db2.gz IABDOUGDVQTYDO-QZTJIDSGSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C(C)C)n2)C[C@H]1C ZINC000947771046 783227434 /nfs/dbraw/zinc/22/74/34/783227434.db2.gz DWHLGRUKAXJOBB-CABCVRRESA-N 0 3 302.422 2.070 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC001072973505 790343659 /nfs/dbraw/zinc/34/36/59/790343659.db2.gz RMFDMAKPFYXYHX-AWEZNQCLSA-N 0 3 310.388 2.370 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(-c4ncon4)c3)C2)C1 ZINC001072975245 790347537 /nfs/dbraw/zinc/34/75/37/790347537.db2.gz BQSPXJFKPXKLPR-UHFFFAOYSA-N 0 3 324.384 2.071 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2O)C1 ZINC001090552374 790349165 /nfs/dbraw/zinc/34/91/65/790349165.db2.gz CWQDXZMVNNDDHB-IRXDYDNUSA-N 0 3 314.429 2.094 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CO[C@@H]3CCCC[C@@H]3C)C2)C1 ZINC001073030248 790401895 /nfs/dbraw/zinc/40/18/95/790401895.db2.gz UXVXXVJCJLNYCT-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(C)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001073069259 790431066 /nfs/dbraw/zinc/43/10/66/790431066.db2.gz HTWMDDZDEABRNU-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C[C@H](C)C(F)(F)F)CC1 ZINC001208903843 776638461 /nfs/dbraw/zinc/63/84/61/776638461.db2.gz ZEVGBNKJIOUAPK-HNNXBMFYSA-N 0 3 319.415 2.476 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001167242215 776794014 /nfs/dbraw/zinc/79/40/14/776794014.db2.gz NSMMAWXXRGMQMQ-UHFFFAOYSA-N 0 3 308.769 2.132 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)[C@@H](C)COC)CC1 ZINC001160314099 790483993 /nfs/dbraw/zinc/48/39/93/790483993.db2.gz GSDFEAYQCKWASE-JKSUJKDBSA-N 0 3 306.450 2.067 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncs1 ZINC001087136389 777028432 /nfs/dbraw/zinc/02/84/32/777028432.db2.gz SLCUFVVVBPUWRU-UPJWGTAASA-N 0 3 306.435 2.019 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)O)CCCCC1 ZINC001111484133 777200679 /nfs/dbraw/zinc/20/06/79/777200679.db2.gz WAVFKTSWMWGFAX-HZMVEIRTSA-N 0 3 318.461 2.063 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001111491147 777438573 /nfs/dbraw/zinc/43/85/73/777438573.db2.gz PVHDDSFLJRRRPF-JJXSEGSLSA-N 0 3 312.429 2.439 20 30 DEEDHN O=C(NCCNCc1cc(Cl)cs1)C1N=CC=CC1=O ZINC000588602181 777578361 /nfs/dbraw/zinc/57/83/61/777578361.db2.gz MZAIGFNEHWDKGA-OUKQBFOZSA-N 0 3 311.794 2.018 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccn3)C(C)(C)[C@H]21 ZINC001087269597 777673639 /nfs/dbraw/zinc/67/36/39/777673639.db2.gz MJPYSFKNHSKTGJ-OIISXLGYSA-N 0 3 311.429 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3c(C)noc3C)C(C)(C)[C@H]21 ZINC001087272925 777683767 /nfs/dbraw/zinc/68/37/67/777683767.db2.gz PHBOCXKWDWZNEE-KBMXLJTQSA-N 0 3 315.417 2.143 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C3=COCCC3)C(C)(C)[C@H]21 ZINC001087275985 777692865 /nfs/dbraw/zinc/69/28/65/777692865.db2.gz PRTSGPAUSXQBNZ-IKGGRYGDSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccn3CC)C(C)(C)[C@H]21 ZINC001087319668 777783996 /nfs/dbraw/zinc/78/39/96/777783996.db2.gz RSGXOWORBMQGRX-OIISXLGYSA-N 0 3 313.445 2.360 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001090839865 790587864 /nfs/dbraw/zinc/58/78/64/790587864.db2.gz SJWRGBXAZDLEET-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C(F)(F)F ZINC001112037868 778112995 /nfs/dbraw/zinc/11/29/95/778112995.db2.gz VBLZVNPLWNMCMJ-GHMZBOCLSA-N 0 3 316.348 2.364 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C(F)(F)F ZINC001112052803 778194342 /nfs/dbraw/zinc/19/43/42/778194342.db2.gz CHINCKSWUKBIFH-CHWSQXEVSA-N 0 3 322.371 2.357 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@H]2CCCOC2)C1 ZINC001100807232 778317665 /nfs/dbraw/zinc/31/76/65/778317665.db2.gz XTJOOTFHOLAFEF-WLYUNCDWSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105299193 778432067 /nfs/dbraw/zinc/43/20/67/778432067.db2.gz KJYALQKRONCDPC-UHFFFAOYSA-N 0 3 319.453 2.009 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3cc(C)ccc3C)C2)C1 ZINC001073425107 790648424 /nfs/dbraw/zinc/64/84/24/790648424.db2.gz CFHUZPQDIQAZAS-UHFFFAOYSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)s2)[C@H](OC)C1 ZINC001211779271 778850862 /nfs/dbraw/zinc/85/08/62/778850862.db2.gz CQTRYNKOZDIPCD-ZIAGYGMSSA-N 0 3 308.447 2.452 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000983411917 779078719 /nfs/dbraw/zinc/07/87/19/779078719.db2.gz NXZSBAPNXLDNJV-TZIWHRDSSA-N 0 3 322.452 2.448 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(Cl)cnn2CC)[C@H]1CC ZINC001087585242 779369643 /nfs/dbraw/zinc/36/96/43/779369643.db2.gz WYMZRVJLRBIHHV-QWHCGFSZSA-N 0 3 310.829 2.325 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1CC ZINC001087710056 779418316 /nfs/dbraw/zinc/41/83/16/779418316.db2.gz GCCVTRSDPFDCTQ-JKSUJKDBSA-N 0 3 304.821 2.485 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)[C@H]1CC ZINC001087829094 779471979 /nfs/dbraw/zinc/47/19/79/779471979.db2.gz JEHCSZFYECGIIW-XJKSGUPXSA-N 0 3 314.389 2.438 20 30 DEEDHN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001087890149 779520974 /nfs/dbraw/zinc/52/09/74/779520974.db2.gz WVIBENIWAMYSTF-CABCVRRESA-N 0 3 300.402 2.362 20 30 DEEDHN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001087890149 779520983 /nfs/dbraw/zinc/52/09/83/779520983.db2.gz WVIBENIWAMYSTF-CABCVRRESA-N 0 3 300.402 2.362 20 30 DEEDHN CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940858 779562080 /nfs/dbraw/zinc/56/20/80/779562080.db2.gz ZKVQWBHAVSREQR-VHDGCEQUSA-N 0 3 318.396 2.028 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C[C@@H]2C1 ZINC001088141979 779724867 /nfs/dbraw/zinc/72/48/67/779724867.db2.gz MJWQPPFZTLAPDY-KYJSFNMBSA-N 0 3 324.424 2.037 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4cccnc4c3)C[C@@H]2C1 ZINC001088143683 779726465 /nfs/dbraw/zinc/72/64/65/779726465.db2.gz WENLCZOWQBOHEX-MSOLQXFVSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3OC)C[C@@H]2C1 ZINC001088176236 779759014 /nfs/dbraw/zinc/75/90/14/779759014.db2.gz JHEYWZFXYPXJAF-CVEARBPZSA-N 0 3 312.413 2.031 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)CC3CC3)CC2)C1 ZINC001088228189 779783528 /nfs/dbraw/zinc/78/35/28/779783528.db2.gz KMXSIUCXNCQAJA-SFHVURJKSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C2CC=CC2)C1 ZINC001090966183 790736269 /nfs/dbraw/zinc/73/62/69/790736269.db2.gz BJWOVEZJGOIYPZ-UHFFFAOYSA-N 0 3 313.239 2.346 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001088313150 779936971 /nfs/dbraw/zinc/93/69/71/779936971.db2.gz PSPNCPTUZPGZAF-OAHLLOKOSA-N 0 3 324.856 2.076 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001088418269 780096493 /nfs/dbraw/zinc/09/64/93/780096493.db2.gz LDUXSVUMDFLSLV-AWEZNQCLSA-N 0 3 324.856 2.374 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2nonc2C)C1 ZINC001088433846 780122060 /nfs/dbraw/zinc/12/20/60/780122060.db2.gz HMMLEIZTUBMNTA-LBPRGKRZSA-N 0 3 312.801 2.105 20 30 DEEDHN CCC(=O)N[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001088435855 780124289 /nfs/dbraw/zinc/12/42/89/780124289.db2.gz RFZSWYVIGVIEOF-CJNGLKHVSA-N 0 3 301.390 2.078 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1C(F)(F)F ZINC001112207856 780282158 /nfs/dbraw/zinc/28/21/58/780282158.db2.gz JMUYRFRLFUJMFE-YNEHKIRRSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCCC(=O)NCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001075883608 780302328 /nfs/dbraw/zinc/30/23/28/780302328.db2.gz LMRWQKCVCLDFDJ-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001073700469 790801635 /nfs/dbraw/zinc/80/16/35/790801635.db2.gz NJGRHFWEUNKSBO-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3cc(C)ccn23)[C@H]1C ZINC001088588577 780551042 /nfs/dbraw/zinc/55/10/42/780551042.db2.gz OMRHYHPDVLRMTL-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3ccccc3n2)[C@H]1C ZINC001088620296 780651578 /nfs/dbraw/zinc/65/15/78/780651578.db2.gz CUMQPBVNGLXQID-KGLIPLIRSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)[C@H]1C ZINC001088628040 780666068 /nfs/dbraw/zinc/66/60/68/780666068.db2.gz VYTXSXKNNONUJI-SKDZVZGDSA-N 0 3 314.429 2.490 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncc(C)cc2OC)[C@H]1C ZINC001088628681 780668118 /nfs/dbraw/zinc/66/81/18/780668118.db2.gz ICLSGBHXALUFLT-KGLIPLIRSA-N 0 3 303.406 2.167 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)[C@H]1C ZINC001088658634 780695822 /nfs/dbraw/zinc/69/58/22/780695822.db2.gz MOZBUBJGTAGNRZ-CVEARBPZSA-N 0 3 313.445 2.270 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@H]1C ZINC001088702543 780863215 /nfs/dbraw/zinc/86/32/15/780863215.db2.gz VTBQVYLHKPMKGK-OCCSQVGLSA-N 0 3 318.446 2.012 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3c2O[C@H](C)C3)[C@H]1C ZINC001088755278 780945039 /nfs/dbraw/zinc/94/50/39/780945039.db2.gz OXRCDUJMFVCUHO-CPUCHLNUSA-N 0 3 312.413 2.226 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H]1C ZINC001088776624 780974227 /nfs/dbraw/zinc/97/42/27/780974227.db2.gz FUEOSORXMLAUAO-PBHICJAKSA-N 0 3 311.429 2.483 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001083488638 780985752 /nfs/dbraw/zinc/98/57/52/780985752.db2.gz QXIOFEAURHLGIX-CABCVRRESA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)nc(OC)c2)[C@H]1C ZINC001088822002 781056304 /nfs/dbraw/zinc/05/63/04/781056304.db2.gz XFPXTKYARSCFID-HIFRSBDPSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4ccncc4n3)[C@@H]2C1 ZINC001076054506 781099988 /nfs/dbraw/zinc/09/99/88/781099988.db2.gz INGMWWZEDAUEHJ-MAUKXSAKSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccc(F)cc43)[C@@H]2C1 ZINC001076181190 781157713 /nfs/dbraw/zinc/15/77/13/781157713.db2.gz OMOLLILYUMEVME-IAOVAPTHSA-N 0 3 300.377 2.184 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C1 ZINC001076314789 781213460 /nfs/dbraw/zinc/21/34/60/781213460.db2.gz SEDRHUMZTXPDRE-GOEBONIOSA-N 0 3 312.417 2.076 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc(C)ccc3F)[C@@H]2C1 ZINC001076485139 781283083 /nfs/dbraw/zinc/28/30/83/781283083.db2.gz YYDJSDGAHSGLIG-WMLDXEAASA-N 0 3 302.393 2.395 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CN(C)CCC)C1 ZINC001060263524 781752650 /nfs/dbraw/zinc/75/26/50/781752650.db2.gz UUVBUEODMBTBIQ-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CNCc2cn(C(C)C)nn2)[C@H](C)C1 ZINC001105926961 781870630 /nfs/dbraw/zinc/87/06/30/781870630.db2.gz PYGVDKCHSATGBK-HUUCEWRRSA-N 0 3 319.453 2.009 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001073867545 790926365 /nfs/dbraw/zinc/92/63/65/790926365.db2.gz ZWWNQBIHLPWQTH-QGZVFWFLSA-N 0 3 318.417 2.092 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)C[C@H]1C ZINC000947899011 783262089 /nfs/dbraw/zinc/26/20/89/783262089.db2.gz COXVULVOPHVBMM-KDOFPFPSSA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cn2cc3ccccc3n2)C[C@H]1C ZINC000947936918 783273364 /nfs/dbraw/zinc/27/33/64/783273364.db2.gz YYUOUKQULUPTRJ-WBVHZDCISA-N 0 3 324.428 2.029 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3nccnc3c2)C[C@H]1C ZINC000948011796 783292880 /nfs/dbraw/zinc/29/28/80/783292880.db2.gz LDQGXTBMBVXPBX-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)C[C@H]1C ZINC000948022840 783295372 /nfs/dbraw/zinc/29/53/72/783295372.db2.gz XWFLXNDGIVQWPH-ZBFHGGJFSA-N 0 3 301.434 2.248 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnn1CC ZINC001089631259 783299973 /nfs/dbraw/zinc/29/99/73/783299973.db2.gz JLVIEWRIQPGBIK-HNNXBMFYSA-N 0 3 316.449 2.147 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@@H]1C ZINC000948073392 783310562 /nfs/dbraw/zinc/31/05/62/783310562.db2.gz KATPOFXIDLCUAU-RJGWXTLFSA-N 0 3 300.446 2.271 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OCC)C[C@@H]1C ZINC000948108139 783324806 /nfs/dbraw/zinc/32/48/06/783324806.db2.gz ASOJDNLUCGKXIZ-UONOGXRCSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccsn1 ZINC001089657088 783329758 /nfs/dbraw/zinc/32/97/58/783329758.db2.gz QYXCSKXSYRKOED-CYBMUJFWSA-N 0 3 305.447 2.387 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncn1C ZINC001089665814 783337304 /nfs/dbraw/zinc/33/73/04/783337304.db2.gz GEAKJHDJLNVLAE-CQSZACIVSA-N 0 3 304.438 2.217 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001089672914 783343433 /nfs/dbraw/zinc/34/34/33/783343433.db2.gz ULLGDEOEZYTNRG-NEXGVSGLSA-N 0 3 318.461 2.203 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1ccc(F)c(F)c1 ZINC001127604606 783404755 /nfs/dbraw/zinc/40/47/55/783404755.db2.gz HTVGVQKNOWVBCQ-CJNGLKHVSA-N 0 3 324.371 2.152 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1cc(F)cc(F)c1 ZINC001127604762 783408996 /nfs/dbraw/zinc/40/89/96/783408996.db2.gz MPCHKFLCCCPKKZ-CVEARBPZSA-N 0 3 324.371 2.152 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C2CC(OCC)C2)CC1 ZINC000948337506 783432575 /nfs/dbraw/zinc/43/25/75/783432575.db2.gz STUUSURKQRJXOY-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000948412609 783457192 /nfs/dbraw/zinc/45/71/92/783457192.db2.gz UHXYADWVSXQVSD-INIZCTEOSA-N 0 3 316.449 2.099 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC000948452645 783472412 /nfs/dbraw/zinc/47/24/12/783472412.db2.gz OMLVKPMCUJWKKL-ZACQAIPSSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnn3ccc(C)cc23)CC1 ZINC000948457208 783473119 /nfs/dbraw/zinc/47/31/19/783473119.db2.gz UJOUWRDXKURYFF-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cncc3[nH]ccc32)CC1 ZINC000948586245 783511936 /nfs/dbraw/zinc/51/19/36/783511936.db2.gz DIYHHNUFELTAJN-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc3cnccc3o2)CC1 ZINC000948595434 783517416 /nfs/dbraw/zinc/51/74/16/783517416.db2.gz YEIKWIJJHJFMIJ-HNNXBMFYSA-N 0 3 311.385 2.388 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nc3c(s2)CCC3)CC1 ZINC000948612238 783527829 /nfs/dbraw/zinc/52/78/29/783527829.db2.gz LQZOLQYLIXGGHS-ZDUSSCGKSA-N 0 3 317.458 2.192 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000966106161 783565001 /nfs/dbraw/zinc/56/50/01/783565001.db2.gz SZQXDTGJIDDNEU-WMLDXEAASA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC000966903351 783808115 /nfs/dbraw/zinc/80/81/15/783808115.db2.gz FJLUXDFFOSOJEM-ZBFHGGJFSA-N 0 3 318.465 2.329 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC000967029207 783860427 /nfs/dbraw/zinc/86/04/27/783860427.db2.gz GCCGQPOAJXOCIH-WMLDXEAASA-N 0 3 316.449 2.163 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC000967033982 783863674 /nfs/dbraw/zinc/86/36/74/783863674.db2.gz QPRMXIVTRABBPA-YOEHRIQHSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c(CC(C)C)n1 ZINC001085596226 783863802 /nfs/dbraw/zinc/86/38/02/783863802.db2.gz 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783951856 /nfs/dbraw/zinc/95/18/56/783951856.db2.gz PQGFUTONSWLQRE-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967333150 783956484 /nfs/dbraw/zinc/95/64/84/783956484.db2.gz GIBUREBTKWTEIN-DOTOQJQBSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC000967339529 783957341 /nfs/dbraw/zinc/95/73/41/783957341.db2.gz SPBQWOJGRPGNBB-RHSMWYFYSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C1CCC1 ZINC001085679397 783959123 /nfs/dbraw/zinc/95/91/23/783959123.db2.gz IEBOUHNAEIEOAY-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)nc1 ZINC001085688958 783971222 /nfs/dbraw/zinc/97/12/22/783971222.db2.gz VLWZAORCAPROHE-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001085718646 784004412 /nfs/dbraw/zinc/00/44/12/784004412.db2.gz WXGRMPIPYBZANG-YESZJQIVSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2cncc(C)c2)C1 ZINC000967471014 784024236 /nfs/dbraw/zinc/02/42/36/784024236.db2.gz VWISOIGYABGYFW-DOTOQJQBSA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cn2ccnc12 ZINC001085740211 784026601 /nfs/dbraw/zinc/02/66/01/784026601.db2.gz KXIRURPEQNPJPP-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001085817113 784109373 /nfs/dbraw/zinc/10/93/73/784109373.db2.gz PORMKMJUZBIUCO-MRXNPFEDSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914438 784204819 /nfs/dbraw/zinc/20/48/19/784204819.db2.gz AFYOSJZVVCMUFY-QGZVFWFLSA-N 0 3 316.449 2.406 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001074000084 791008429 /nfs/dbraw/zinc/00/84/29/791008429.db2.gz VAXRIQFVCRMRJA-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001085952444 784247663 /nfs/dbraw/zinc/24/76/63/784247663.db2.gz BZGSHGJTADLRHB-MSOLQXFVSA-N 0 3 314.429 2.237 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000968360612 784322102 /nfs/dbraw/zinc/32/21/02/784322102.db2.gz JWZSPGPXGSQAEW-IUODEOHRSA-N 0 3 303.406 2.112 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968378446 784338881 /nfs/dbraw/zinc/33/88/81/784338881.db2.gz PXVDAUNBTCPXBM-HOTGVXAUSA-N 0 3 318.465 2.409 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC000968408238 784365045 /nfs/dbraw/zinc/36/50/45/784365045.db2.gz BYOYMHKEPUGVOB-KSSFIOAISA-N 0 3 312.413 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001066377269 784382334 /nfs/dbraw/zinc/38/23/34/784382334.db2.gz WIQMXXXHZHHPQA-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC000968463687 784402080 /nfs/dbraw/zinc/40/20/80/784402080.db2.gz DRZCCLPPZSRUFC-UKRRQHHQSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001086103316 784410771 /nfs/dbraw/zinc/41/07/71/784410771.db2.gz MHVKXJBMMNIKRP-BJHJDKERSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC001086128688 784425120 /nfs/dbraw/zinc/42/51/20/784425120.db2.gz IYOAGXUSPSNXJF-FQUUOJAGSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC001086128690 784425493 /nfs/dbraw/zinc/42/54/93/784425493.db2.gz IYOAGXUSPSNXJF-MQYQWHSLSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](OC)C2)C1 ZINC001086128689 784425536 /nfs/dbraw/zinc/42/55/36/784425536.db2.gz IYOAGXUSPSNXJF-IGQOVBAYSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2nc(C)c(C)nc2C)C1 ZINC001086143849 784437838 /nfs/dbraw/zinc/43/78/38/784437838.db2.gz KZGDWUBRAMHZIP-OKILXGFUSA-N 0 3 322.840 2.252 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000968543575 784454716 /nfs/dbraw/zinc/45/47/16/784454716.db2.gz CPFXEZIHXPKIPX-KBPBESRZSA-N 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/nfs/dbraw/zinc/50/94/70/784509470.db2.gz YOGJPQLGSDVEQG-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC000968731260 784561730 /nfs/dbraw/zinc/56/17/30/784561730.db2.gz ORNZXLIQFNFYPZ-ZIAGYGMSSA-N 0 3 324.856 2.340 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC000968750174 784570712 /nfs/dbraw/zinc/57/07/12/784570712.db2.gz GORRIEZCRAOXGE-OAHLLOKOSA-N 0 3 303.406 2.289 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC000968795201 784596036 /nfs/dbraw/zinc/59/60/36/784596036.db2.gz GIRWRXDNZRCTBU-CQSZACIVSA-N 0 3 322.840 2.254 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cc(OC)ncn1 ZINC000968858941 784623036 /nfs/dbraw/zinc/62/30/36/784623036.db2.gz KCCMFOZKHGKNEQ-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC000968885037 784636113 /nfs/dbraw/zinc/63/61/13/784636113.db2.gz JVHDHTZTFFMQSZ-ZDUSSCGKSA-N 0 3 321.396 2.390 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC000968922625 784652521 /nfs/dbraw/zinc/65/25/21/784652521.db2.gz DBTVSOYWFVAATD-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1coc(OC)n1 ZINC000968965097 784670852 /nfs/dbraw/zinc/67/08/52/784670852.db2.gz GBMQPNVPRGFPPK-ZDUSSCGKSA-N 0 3 307.394 2.234 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccn(C)c1C ZINC000969017940 784691959 /nfs/dbraw/zinc/69/19/59/784691959.db2.gz UDFSXVMCNSWTSO-INIZCTEOSA-N 0 3 301.434 2.331 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(C)CCC)[C@@H](C)C1 ZINC001074090268 791048248 /nfs/dbraw/zinc/04/82/48/791048248.db2.gz MRZDSVGGDWNYPQ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(C/C=C\Cl)CCO)CC1 ZINC001098448566 784812611 /nfs/dbraw/zinc/81/26/11/784812611.db2.gz GYFFJXBWWLIUDF-YVMONPNESA-N 0 3 314.857 2.236 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001007420521 784914799 /nfs/dbraw/zinc/91/47/99/784914799.db2.gz NDXOVOCEJHLWKP-HNNXBMFYSA-N 0 3 324.380 2.011 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001007436972 784918263 /nfs/dbraw/zinc/91/82/63/784918263.db2.gz KVLOLOUCBMISDF-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108397183 784926991 /nfs/dbraw/zinc/92/69/91/784926991.db2.gz QCOQBIAOKADDRM-CRAIPNDOSA-N 0 3 319.449 2.499 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001007479930 784932800 /nfs/dbraw/zinc/93/28/00/784932800.db2.gz CCFPUSACVJJHAD-HNNXBMFYSA-N 0 3 315.417 2.435 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(CC)CCC2CC2)c1 ZINC001169013268 785003510 /nfs/dbraw/zinc/00/35/10/785003510.db2.gz DOZSSBGEJZYPBD-UHFFFAOYSA-N 0 3 313.401 2.438 20 30 DEEDHN COc1ccc(C(=O)NCCCNCc2ccccc2C#N)o1 ZINC001169067525 785028015 /nfs/dbraw/zinc/02/80/15/785028015.db2.gz FTMGFEJLKBEMAO-UHFFFAOYSA-N 0 3 313.357 2.070 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(CC)c2C)C1 ZINC001091297523 791081151 /nfs/dbraw/zinc/08/11/51/791081151.db2.gz JPVZZZUEUYHYCG-UHFFFAOYSA-N 0 3 310.829 2.062 20 30 DEEDHN C[C@H](N)c1ccn(-c2nc(C#N)c(C#N)nc2-c2ccccc2)n1 ZINC001169231492 785098369 /nfs/dbraw/zinc/09/83/69/785098369.db2.gz KLYCZOZZHGXEAZ-NSHDSACASA-N 0 3 315.340 2.092 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001090419662 785160353 /nfs/dbraw/zinc/16/03/53/785160353.db2.gz BNSMVLVPLIONDF-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN O=C(C=CNc1cc2c(cc1[N+](=O)[O-])CNC2)C(F)(F)F ZINC001169475976 785213774 /nfs/dbraw/zinc/21/37/74/785213774.db2.gz NBCHSUCUNAZHNK-OWOJBTEDSA-N 0 3 301.224 2.255 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001008521900 785229391 /nfs/dbraw/zinc/22/93/91/785229391.db2.gz NHMGCDDUYLZZIB-INIZCTEOSA-N 0 3 312.417 2.413 20 30 DEEDHN N#Cc1c[nH]c2cc(N3CCCc4ccc(CN)nc43)cnc12 ZINC001169591163 785251611 /nfs/dbraw/zinc/25/16/11/785251611.db2.gz TWADVJXQDLDWAE-UHFFFAOYSA-N 0 3 304.357 2.373 20 30 DEEDHN Cc1nc(CNCCCC[C@H](C)NC(=O)[C@@H](C)C#N)cs1 ZINC001169830465 785374513 /nfs/dbraw/zinc/37/45/13/785374513.db2.gz AFBFFABPDIMWBO-RYUDHWBXSA-N 0 3 308.451 2.376 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCCN(CC2CC2)C1 ZINC001009125016 785390696 /nfs/dbraw/zinc/39/06/96/785390696.db2.gz SAHRKUUUTYNTCE-OAHLLOKOSA-N 0 3 315.417 2.251 20 30 DEEDHN COC(=O)n1ncc(C#N)c1Nc1ccc(C)cc1CN(C)C ZINC001169969128 785432532 /nfs/dbraw/zinc/43/25/32/785432532.db2.gz XISUOYRWGMBEAW-UHFFFAOYSA-N 0 3 313.361 2.483 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C)n(C)nc2Cl)C1 ZINC001009365037 785438358 /nfs/dbraw/zinc/43/83/58/785438358.db2.gz UGDFTTDXPYTLOL-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cncnc2C2CC2)C1 ZINC001009386368 785444811 /nfs/dbraw/zinc/44/48/11/785444811.db2.gz MHDABVPNMLFIOQ-AWEZNQCLSA-N 0 3 300.406 2.124 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CC2CCC(OC)CC2)C1 ZINC001009752653 785519675 /nfs/dbraw/zinc/51/96/75/785519675.db2.gz CDZTVTZSAKEXKN-AQFXKWCLSA-N 0 3 306.450 2.186 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2CCC[C@H]2C(F)F)c1 ZINC001129376270 785664625 /nfs/dbraw/zinc/66/46/25/785664625.db2.gz SKQWDHXBPNJTTQ-CABCVRRESA-N 0 3 321.371 2.445 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1)C2 ZINC001109454219 785884819 /nfs/dbraw/zinc/88/48/19/785884819.db2.gz PTVKNVKASAAVTN-SQNIBIBYSA-N 0 3 314.429 2.153 20 30 DEEDHN C#CCCCCC(=O)N1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001112774478 786219083 /nfs/dbraw/zinc/21/90/83/786219083.db2.gz YZJWNHPWRNQBCU-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001113479141 786624544 /nfs/dbraw/zinc/62/45/44/786624544.db2.gz KRQZOQISYSAWBB-AWEZNQCLSA-N 0 3 317.433 2.462 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC001113521713 786655567 /nfs/dbraw/zinc/65/55/67/786655567.db2.gz BSODUJAXTBAYRN-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001014665975 786689678 /nfs/dbraw/zinc/68/96/78/786689678.db2.gz SEOYMBIGMNFAJN-HNNXBMFYSA-N 0 3 310.401 2.457 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001170282901 786899443 /nfs/dbraw/zinc/89/94/43/786899443.db2.gz OSVBORPIRMBRFZ-AWEZNQCLSA-N 0 3 319.453 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001015197386 786934232 /nfs/dbraw/zinc/93/42/32/786934232.db2.gz ZKYPZQZEWAUAOS-INIZCTEOSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC001015446368 787058872 /nfs/dbraw/zinc/05/88/72/787058872.db2.gz MEQNNTBJOQQQBQ-GFCCVEGCSA-N 0 3 318.446 2.323 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001015518308 787090117 /nfs/dbraw/zinc/09/01/17/787090117.db2.gz IABYEYKTMIUCDK-KBPBESRZSA-N 0 3 319.405 2.296 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001015689880 787186699 /nfs/dbraw/zinc/18/66/99/787186699.db2.gz OLABZFHTGPXQCF-KRWDZBQOSA-N 0 3 311.429 2.443 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CCc2ccsc2)c1 ZINC001129472983 787216503 /nfs/dbraw/zinc/21/65/03/787216503.db2.gz HKJWTBKMMWHBKA-UHFFFAOYSA-N 0 3 313.426 2.458 20 30 DEEDHN CCc1ccc(C(=O)NCCNCc2ccc(C#N)c(F)c2)o1 ZINC001130352397 787359047 /nfs/dbraw/zinc/35/90/47/787359047.db2.gz YFTFBRNJSRRLSP-UHFFFAOYSA-N 0 3 315.348 2.372 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC001086657552 787546968 /nfs/dbraw/zinc/54/69/68/787546968.db2.gz SVRUCTMHGDPCMG-BFHYXJOUSA-N 0 3 300.830 2.040 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc3ncccc3o2)cc1 ZINC001131443434 787620427 /nfs/dbraw/zinc/62/04/27/787620427.db2.gz NVERFBWHIRIBOC-UHFFFAOYSA-N 0 3 320.352 2.219 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc3ccccc3n1)C2 ZINC001096367177 787637223 /nfs/dbraw/zinc/63/72/23/787637223.db2.gz RZDZZDKZWZMRQK-NJAFHUGGSA-N 0 3 324.428 2.334 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C[C@@H]2C[C@H]2C2CC2)ccc1F ZINC001131526101 787645553 /nfs/dbraw/zinc/64/55/53/787645553.db2.gz YWUUPJZZPGVTOU-HOCLYGCPSA-N 0 3 315.392 2.339 20 30 DEEDHN C[C@@H](Nc1ccc2cc(C#N)c(C#N)cc2c1)[C@@H]1CNCCO1 ZINC001170568714 787648246 /nfs/dbraw/zinc/64/82/46/787648246.db2.gz HDQRQLDUKNJSGW-XIKOKIGWSA-N 0 3 306.369 2.372 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCSC)C[C@@H](C)O2 ZINC001131624309 787665227 /nfs/dbraw/zinc/66/52/27/787665227.db2.gz IMCCIEGZRATNOU-ZBFHGGJFSA-N 0 3 312.479 2.007 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCCOC)C[C@@H](C)O2 ZINC001131641134 787669133 /nfs/dbraw/zinc/66/91/33/787669133.db2.gz ALTXRQHCFGAZKY-AEFFLSMTSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@H](C)O2 ZINC001131657574 787679204 /nfs/dbraw/zinc/67/92/04/787679204.db2.gz KMBSTXFHYWHXDG-QFBILLFUSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(F)cc1)C2 ZINC001096467826 787683303 /nfs/dbraw/zinc/68/33/03/787683303.db2.gz HOPPXNMFZKVQNI-IKGGRYGDSA-N 0 3 300.377 2.113 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1F)C2 ZINC001096471427 787686507 /nfs/dbraw/zinc/68/65/07/787686507.db2.gz DGIWNUJCUPEYEM-PVAVHDDUSA-N 0 3 300.377 2.113 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccsc2)CC[C@H]1C ZINC001131762003 787730545 /nfs/dbraw/zinc/73/05/45/787730545.db2.gz WRMUPPVKPRVSIR-ZBFHGGJFSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCc2ccco2)CC[C@@H]1C ZINC001131820019 787760466 /nfs/dbraw/zinc/76/04/66/787760466.db2.gz AXXVGEHODZTJHU-JKSUJKDBSA-N 0 3 320.433 2.384 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001131867124 787782780 /nfs/dbraw/zinc/78/27/80/787782780.db2.gz JSVUBTHAMFCWOV-INIZCTEOSA-N 0 3 321.446 2.054 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1N(C)C)C2 ZINC001096651220 787783576 /nfs/dbraw/zinc/78/35/76/787783576.db2.gz JJRMQYIIJFIOCG-HFTRVMKXSA-N 0 3 311.429 2.111 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001096659041 787796975 /nfs/dbraw/zinc/79/69/75/787796975.db2.gz YUWLCALMMXAXFU-IWCQGFGOSA-N 0 3 312.413 2.460 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132003796 787879824 /nfs/dbraw/zinc/87/98/24/787879824.db2.gz ZQAYFLWTULYYAO-JKSUJKDBSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cc(OC)no2)CC[C@H]1C ZINC001132063915 787921470 /nfs/dbraw/zinc/92/14/70/787921470.db2.gz BEBUFNHKAPSIQH-KGLIPLIRSA-N 0 3 321.421 2.161 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCOCC(F)(F)F)CC[C@@H]1C ZINC001132150677 787945006 /nfs/dbraw/zinc/94/50/06/787945006.db2.gz VBGQWECVVDQVDM-NWDGAFQWSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2occc2C)CC[C@@H]1C ZINC001132290530 788013483 /nfs/dbraw/zinc/01/34/83/788013483.db2.gz DPIYGDUQPYJHTE-HOTGVXAUSA-N 0 3 320.433 2.302 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CC[C@@H](C)N(CCO)C2)CCCCC1 ZINC001132348988 788039794 /nfs/dbraw/zinc/03/97/94/788039794.db2.gz VYOOOWCWYWGCAF-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CC[C@H](C)N(CCO)C2)CCCCC1 ZINC001132348989 788039822 /nfs/dbraw/zinc/03/98/22/788039822.db2.gz VYOOOWCWYWGCAF-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(CC)CC)CC[C@H]1C ZINC001132368642 788044871 /nfs/dbraw/zinc/04/48/71/788044871.db2.gz PAEKODLNXGJECK-KGLIPLIRSA-N 0 3 301.862 2.050 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cccn2CC)CC[C@@H]1C ZINC001132487116 788092670 /nfs/dbraw/zinc/09/26/70/788092670.db2.gz RMTULICOLAJMGH-JKSUJKDBSA-N 0 3 319.449 2.293 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCn2cc(Cl)cn2)CC[C@@H]1C ZINC001132504361 788107436 /nfs/dbraw/zinc/10/74/36/788107436.db2.gz HXCDSEFZAOTQLK-ZFWWWQNUSA-N 0 3 324.856 2.472 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CN(C)Cc2ccccc2)CC[C@@H]1C ZINC001132541316 788118535 /nfs/dbraw/zinc/11/85/35/788118535.db2.gz CVMAMHLASMIAOY-WMZOPIPTSA-N 0 3 315.461 2.274 20 30 DEEDHN CC1(C)CC[C@@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132632773 788151710 /nfs/dbraw/zinc/15/17/10/788151710.db2.gz SBIYROICTVUVLK-CQSZACIVSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@H](CNCc2nccn2CC)C1 ZINC001132697653 788171021 /nfs/dbraw/zinc/17/10/21/788171021.db2.gz SSDAOBQJGHUKNI-JKSUJKDBSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001133091243 788279169 /nfs/dbraw/zinc/27/91/69/788279169.db2.gz PICRKUATGSWRKU-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001133091041 788279185 /nfs/dbraw/zinc/27/91/85/788279185.db2.gz NNPNQRTWIFFEJF-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)n1)C2 ZINC001097965592 788298110 /nfs/dbraw/zinc/29/81/10/788298110.db2.gz FVQOLTKBPLKECN-BMFZPTHFSA-N 0 3 312.417 2.265 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(Cl)c1)C2 ZINC001098036134 788352445 /nfs/dbraw/zinc/35/24/45/788352445.db2.gz RJEQTSYZQRRBQN-KFWWJZLASA-N 0 3 303.793 2.093 20 30 DEEDHN COCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133486486 788447134 /nfs/dbraw/zinc/44/71/34/788447134.db2.gz MCUVUMRRTKTIOW-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN CSCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133646079 788536211 /nfs/dbraw/zinc/53/62/11/788536211.db2.gz 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C=CCN1C[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)CC[C@H]1C ZINC001071647100 789839023 /nfs/dbraw/zinc/83/90/23/789839023.db2.gz DZLRMNJPIDWWFK-DGCLKSJQSA-N 0 3 324.856 2.080 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)c(C)nc2C)CC[C@@H]1C ZINC001071666252 789851230 /nfs/dbraw/zinc/85/12/30/789851230.db2.gz LWCWOQSYKFGRGI-LRDDRELGSA-N 0 3 314.433 2.008 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nncc3ccccc32)CC[C@@H]1C ZINC001071678244 789860264 /nfs/dbraw/zinc/86/02/64/789860264.db2.gz ZWUPRTLULBXMRI-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnc(OCC)c2)CC[C@@H]1C ZINC001071817281 789927463 /nfs/dbraw/zinc/92/74/63/789927463.db2.gz DJEDFEAFVNXFDT-GOEBONIOSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nn2CC)CC[C@@H]1C ZINC001071844684 789940326 /nfs/dbraw/zinc/94/03/26/789940326.db2.gz QQFUPTQOSFTPOE-GJZGRUSLSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CC[C@@H]1C ZINC001071961648 789989278 /nfs/dbraw/zinc/98/92/78/789989278.db2.gz 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C=CCN1CCC2(CN(C(=O)[C@H](C)OCc3ccccc3)C2)C1 ZINC001147878026 791645143 /nfs/dbraw/zinc/64/51/43/791645143.db2.gz WPGONOGFTXJSDZ-INIZCTEOSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1coc(C)c1)C[C@@H](C)O2 ZINC001098589998 791658520 /nfs/dbraw/zinc/65/85/20/791658520.db2.gz NXKDDGCQNWGMPI-OAHLLOKOSA-N 0 3 318.417 2.470 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001098774425 791701715 /nfs/dbraw/zinc/70/17/15/791701715.db2.gz APZVBXQQKVMTOE-NRUGXNMXSA-N 0 3 300.446 2.417 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCCCCOCC)C2)C1 ZINC001148868526 791812935 /nfs/dbraw/zinc/81/29/35/791812935.db2.gz MSZQJUWFLCVJID-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cccc(C)n3)C2)CC1 ZINC001086900415 791842343 /nfs/dbraw/zinc/84/23/43/791842343.db2.gz JALLKAUSBLCLTO-INIZCTEOSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(F)nc3)C2)CC1 ZINC001086910657 791847865 /nfs/dbraw/zinc/84/78/65/791847865.db2.gz 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791905304 /nfs/dbraw/zinc/90/53/04/791905304.db2.gz CBNZLPRTIAIACC-KDOFPFPSSA-N 0 3 300.377 2.161 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3ccc(CC)cc3)C[C@]2(C)C1 ZINC001092056836 791926392 /nfs/dbraw/zinc/92/63/92/791926392.db2.gz IUESRYAJUUGCJZ-QUCCMNQESA-N 0 3 310.441 2.205 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc([C@@H](C)CC)no3)C[C@]2(C)C1 ZINC001092078838 791929088 /nfs/dbraw/zinc/92/90/88/791929088.db2.gz DQXCSBSXVJTHFC-IYOUNJFTSA-N 0 3 315.417 2.215 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4cccnc4c3)C[C@]2(C)C1 ZINC001092106849 791932045 /nfs/dbraw/zinc/93/20/45/791932045.db2.gz IPXWRWXEEFMLGX-XLIONFOSSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc4ccncc43)C[C@]2(C)C1 ZINC001092157636 791935646 /nfs/dbraw/zinc/93/56/46/791935646.db2.gz IJHZEXYAZCOSQT-UZLBHIALSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)c(CC)o3)C[C@]2(C)C1 ZINC001092196217 791943054 /nfs/dbraw/zinc/94/30/54/791943054.db2.gz YBVIPUSXKJZFKE-KDOFPFPSSA-N 0 3 300.402 2.178 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3OC)C[C@]2(C)C1 ZINC001092214492 791947296 /nfs/dbraw/zinc/94/72/96/791947296.db2.gz NAOGETCBTRVAFH-BEFAXECRSA-N 0 3 312.413 2.031 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001092232725 791951806 /nfs/dbraw/zinc/95/18/06/791951806.db2.gz ZZSZZWXFEVLOIA-CTNGQTDRSA-N 0 3 320.436 2.014 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001098871305 791970499 /nfs/dbraw/zinc/97/04/99/791970499.db2.gz FVNKWLKISLREHX-KSSFIOAISA-N 0 3 315.417 2.251 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3cccn3cn2)C1 ZINC001098901399 791977644 /nfs/dbraw/zinc/97/76/44/791977644.db2.gz XKSAEKXRILTXRF-KXBFYZLASA-N 0 3 324.428 2.495 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001098914332 791983124 /nfs/dbraw/zinc/98/31/24/791983124.db2.gz RVCVCWPPVHBUJF-YJBOKZPZSA-N 0 3 316.449 2.408 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(COC)o2)C1 ZINC001098933801 791988506 /nfs/dbraw/zinc/98/85/06/791988506.db2.gz 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792140895 /nfs/dbraw/zinc/14/08/95/792140895.db2.gz IOIZFAQTKJJBKR-DGCLKSJQSA-N 0 3 313.323 2.169 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1C(F)(F)F ZINC001099236071 792146449 /nfs/dbraw/zinc/14/64/49/792146449.db2.gz KVVOPXIMQFJPGA-CHWSQXEVSA-N 0 3 316.323 2.377 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C(F)(F)F ZINC001099260156 792154446 /nfs/dbraw/zinc/15/44/46/792154446.db2.gz XOUWGOXOLHEMKP-NXEZZACHSA-N 0 3 319.352 2.312 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C(F)(F)F ZINC001099324849 792171699 /nfs/dbraw/zinc/17/16/99/792171699.db2.gz DJQZRDZRTBVSPL-CHWSQXEVSA-N 0 3 315.339 2.043 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C[C@H]1O ZINC001099723974 792327237 /nfs/dbraw/zinc/32/72/37/792327237.db2.gz LEZOVVKVIWGBMK-QZTJIDSGSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC001093353300 792336772 /nfs/dbraw/zinc/33/67/72/792336772.db2.gz SSWNIXOESGGAKO-SFHVURJKSA-N 0 3 323.440 2.422 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)OC)CC1 ZINC001093361969 792340646 /nfs/dbraw/zinc/34/06/46/792340646.db2.gz OKIFNDBYVCMMPX-DLBZAZTESA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C[C@@H]1O ZINC001099850940 792382417 /nfs/dbraw/zinc/38/24/17/792382417.db2.gz SQSDBPSDTGZRRA-MSOLQXFVSA-N 0 3 316.445 2.403 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](O)C1 ZINC001100092513 792470029 /nfs/dbraw/zinc/47/00/29/792470029.db2.gz ONDCJKZIXIGWOU-NWDGAFQWSA-N 0 3 322.371 2.093 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CC(NCc2cc(F)ccc2F)C1 ZINC001100190161 792507828 /nfs/dbraw/zinc/50/78/28/792507828.db2.gz LKDONTMADYYYNE-CDWSIMAYSA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)/C(C)=C\C)C1 ZINC001100228493 792531084 /nfs/dbraw/zinc/53/10/84/792531084.db2.gz QNGRUBNFEPGMIO-WTKPLQERSA-N 0 3 301.228 2.346 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC2(COC)CC2)C1 ZINC001100319234 792589957 /nfs/dbraw/zinc/58/99/57/792589957.db2.gz DATMNTXMJSEDPE-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100597001 792742642 /nfs/dbraw/zinc/74/26/42/792742642.db2.gz MWDAGQSHSAOKBI-UQPPLGOBSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100597083 792743044 /nfs/dbraw/zinc/74/30/44/792743044.db2.gz PEIFQRDSCOFAQO-QQFBHYJXSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001100607623 792748260 /nfs/dbraw/zinc/74/82/60/792748260.db2.gz KAWPANGELHRKJF-UHFFFAOYSA-N 0 3 323.824 2.252 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3cc(C)ncn3)C2)C1 ZINC001100661461 792774726 /nfs/dbraw/zinc/77/47/26/792774726.db2.gz VUYLDVCYZCLZGO-UHFFFAOYSA-N 0 3 314.433 2.126 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001100804514 792857567 /nfs/dbraw/zinc/85/75/67/792857567.db2.gz QAIGLDWAXFOUCL-SSDMNJCBSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3csc(C)n3)CCC[C@@H]12 ZINC001094496847 792941422 /nfs/dbraw/zinc/94/14/22/792941422.db2.gz JMWINRPEOZDNSC-GDBMZVCRSA-N 0 3 303.431 2.059 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001100971026 792950320 /nfs/dbraw/zinc/95/03/20/792950320.db2.gz UYFOBUXUVTXOEX-UHFFFAOYSA-N 0 3 324.856 2.196 20 30 DEEDHN C=CCCC(=O)NCc1cc(O[C@H]2CCN(CC=C)C2)ccn1 ZINC001101091169 793013561 /nfs/dbraw/zinc/01/35/61/793013561.db2.gz WTSDNNNDKPLORW-KRWDZBQOSA-N 0 3 315.417 2.303 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101336884 793125583 /nfs/dbraw/zinc/12/55/83/793125583.db2.gz TXZGMTYHPFMASR-LMMKCTJWSA-N 0 3 318.461 2.019 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1cc(Cl)no1 ZINC001171782041 793211861 /nfs/dbraw/zinc/21/18/61/793211861.db2.gz WNCUMSZSQKFHJV-UHFFFAOYSA-N 0 3 318.764 2.109 20 30 DEEDHN COc1cccc(C(=O)NCCCNCc2ccccc2C#N)c1 ZINC001171908580 793248290 /nfs/dbraw/zinc/24/82/90/793248290.db2.gz WGQUKFSRHZSRBU-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C=CCC[C@@H](C)N1CC2(C1)C[C@@H](NC(=O)CC)c1nccn12 ZINC001101599862 793263581 /nfs/dbraw/zinc/26/35/81/793263581.db2.gz YTCZVFDJHDDBOA-ZIAGYGMSSA-N 0 3 302.422 2.220 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001172312955 793395590 /nfs/dbraw/zinc/39/55/90/793395590.db2.gz MUOFQHDXBQIYHH-WMLDXEAASA-N 0 3 314.433 2.225 20 30 DEEDHN C[C@@H](CCCC#N)N1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172503306 793440484 /nfs/dbraw/zinc/44/04/84/793440484.db2.gz ZGPAHKYFWARDPO-BFHYXJOUSA-N 0 3 311.426 2.029 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCC(NCC2(C#N)CCC2)CC1 ZINC001172883038 793527316 /nfs/dbraw/zinc/52/73/16/793527316.db2.gz IBTFUYLAZLMKCU-UHFFFAOYSA-N 0 3 307.438 2.076 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C)(O)CC2)C[C@H]1C#N ZINC001172979479 793549850 /nfs/dbraw/zinc/54/98/50/793549850.db2.gz DRYDAMZXGWXOMG-KBPBESRZSA-N 0 3 323.437 2.125 20 30 DEEDHN C[C@@H]1C[C@@H](O)CCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992168 793561420 /nfs/dbraw/zinc/56/14/20/793561420.db2.gz RMPZKISRODAGFI-KBXIAJHMSA-N 0 3 323.437 2.123 20 30 DEEDHN CC(=O)NCC[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001102627558 793677317 /nfs/dbraw/zinc/67/73/17/793677317.db2.gz GYPCBKCOPJIMGJ-MLGOLLRUSA-N 0 3 303.381 2.291 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(CC)n[nH]2)C1 ZINC001102690614 793712586 /nfs/dbraw/zinc/71/25/86/793712586.db2.gz NJBWQIMHZBZVFJ-DGCLKSJQSA-N 0 3 324.856 2.412 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCOCC)C1 ZINC001102767712 793748195 /nfs/dbraw/zinc/74/81/95/793748195.db2.gz PKMAQPLNHZZJGD-TZMCWYRMSA-N 0 3 302.846 2.240 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]c(C)c2C)C1 ZINC001102806605 793768309 /nfs/dbraw/zinc/76/83/09/793768309.db2.gz WTVSTOPZATWKDR-QMTHXVAHSA-N 0 3 324.856 2.467 20 30 DEEDHN Cc1cc(CN2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C2)on1 ZINC001102955676 793835004 /nfs/dbraw/zinc/83/50/04/793835004.db2.gz ADRWMDUCRTXAFV-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnn1-c1ncccn1 ZINC001173930212 793871733 /nfs/dbraw/zinc/87/17/33/793871733.db2.gz QSBLABCSYPIKBQ-UHFFFAOYSA-N 0 3 319.372 2.339 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174672468 794037073 /nfs/dbraw/zinc/03/70/73/794037073.db2.gz OBHMCYWUVCZDHF-CYBMUJFWSA-N 0 3 321.469 2.480 20 30 DEEDHN C=CCCC(=O)N[C@]12CCC[C@H]1CN(CCOCC(F)F)C2 ZINC001111650585 794450763 /nfs/dbraw/zinc/45/07/63/794450763.db2.gz XQJYAXXIXBBGBU-BBRMVZONSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001111743830 794465384 /nfs/dbraw/zinc/46/53/84/794465384.db2.gz ANIOTGIOEGNOLF-AOIWGVFYSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCC[C@@H]1CCCN1CC(=O)NC(=O)NCc1ccccc1 ZINC001176771046 794501378 /nfs/dbraw/zinc/50/13/78/794501378.db2.gz DJUCQHWYSHFFHJ-MRXNPFEDSA-N 0 3 315.417 2.443 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCOc2ccccc2)C1 ZINC001111982509 794539006 /nfs/dbraw/zinc/53/90/06/794539006.db2.gz LXLQNODKGIZVBI-LPHOPBHVSA-N 0 3 312.413 2.059 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001112090295 794558223 /nfs/dbraw/zinc/55/82/23/794558223.db2.gz CJAPOINKGNKZLF-JHJVBQTASA-N 0 3 304.356 2.425 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C(F)(F)F ZINC001112099566 794559869 /nfs/dbraw/zinc/55/98/69/794559869.db2.gz BQVGCURAMZVIIC-CHWSQXEVSA-N 0 3 302.340 2.201 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](C)OC)C1 ZINC001112143397 794563913 /nfs/dbraw/zinc/56/39/13/794563913.db2.gz WNGLJALCODJBTO-QJPTWQEYSA-N 0 3 322.371 2.212 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112141969 794564179 /nfs/dbraw/zinc/56/41/79/794564179.db2.gz HBMBACZLTMHFDW-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)N(C(=N)N)c1ccccc1F ZINC001177916776 794777333 /nfs/dbraw/zinc/77/73/33/794777333.db2.gz ZVYLFWKWFPHVJN-JTQLQIEISA-N 0 3 316.361 2.496 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CC(C)(C)O)CCCCC1 ZINC001115510940 794805480 /nfs/dbraw/zinc/80/54/80/794805480.db2.gz IPJJAOBXFBPHHA-UHFFFAOYSA-N 0 3 302.846 2.309 20 30 DEEDHN CSCC(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001178062326 794810943 /nfs/dbraw/zinc/81/09/43/794810943.db2.gz NJKKJRMPRUZNOA-BBRMVZONSA-N 0 3 320.433 2.119 20 30 DEEDHN Cc1cc(C(=O)N2CC[C@H](NCC#Cc3ccccc3)[C@@H]2C)no1 ZINC001178072788 794830680 /nfs/dbraw/zinc/83/06/80/794830680.db2.gz CLTDFIPMPWVEGH-RDJZCZTQSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C=C(CC)CC)[C@H]1C ZINC001178459863 794929317 /nfs/dbraw/zinc/92/93/17/794929317.db2.gz YTIPFWMGHVVEMZ-YCPHGPKFSA-N 0 3 321.465 2.003 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001178582361 794947939 /nfs/dbraw/zinc/94/79/39/794947939.db2.gz YHTFQFPYMKZSRP-QANKJYHBSA-N 0 3 320.408 2.232 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001116619010 794972800 /nfs/dbraw/zinc/97/28/00/794972800.db2.gz GYPPDBOGIZZPKA-DLBZAZTESA-N 0 3 319.449 2.352 20 30 DEEDHN C=CC[C@H]1NC(=O)N(C[C@@H](c2cccs2)N2CCCC2)C1=O ZINC001116769231 794985197 /nfs/dbraw/zinc/98/51/97/794985197.db2.gz BSPDHVCDRPGIOK-OLZOCXBDSA-N 0 3 319.430 2.382 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179307315 795090841 /nfs/dbraw/zinc/09/08/41/795090841.db2.gz URBBESWXUQKTOW-ZIAGYGMSSA-N 0 3 321.469 2.338 20 30 DEEDHN C=CCCC[NH2+]CCCCCCNC(=O)c1c(C)nc[n-]c1=O ZINC001179348693 795096192 /nfs/dbraw/zinc/09/61/92/795096192.db2.gz MSTABWVKXABYPS-UHFFFAOYSA-N 0 3 320.437 2.337 20 30 DEEDHN C#CCC[C@H](O)CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC001179489697 795123742 /nfs/dbraw/zinc/12/37/42/795123742.db2.gz SCLHGBWOBAWBAR-INIZCTEOSA-N 0 3 303.793 2.390 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001118090704 795152599 /nfs/dbraw/zinc/15/25/99/795152599.db2.gz OFSSMOYHNYXTNS-AAEUAGOBSA-N 0 3 305.296 2.409 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)NCCCCCCNCC#N ZINC001179745997 795171116 /nfs/dbraw/zinc/17/11/16/795171116.db2.gz KOCQZNIKWGNWET-MRXNPFEDSA-N 0 3 308.470 2.039 20 30 DEEDHN C#CCN(C(=O)c1cc(CC(C)C)c[nH]1)C1CCN(C)CC1 ZINC001119982737 795383494 /nfs/dbraw/zinc/38/34/94/795383494.db2.gz BGJJEDXSHNHHKA-UHFFFAOYSA-N 0 3 301.434 2.383 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cnccc2C)C1 ZINC001181475409 795484163 /nfs/dbraw/zinc/48/41/63/795484163.db2.gz CICNLYRQHYPPQJ-DOTOQJQBSA-N 0 3 317.433 2.062 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CSCC#N)C2 ZINC001120665984 795509348 /nfs/dbraw/zinc/50/93/48/795509348.db2.gz WGPLJYODEDZXPD-UHFFFAOYSA-N 0 3 313.854 2.013 20 30 DEEDHN Cc1ncc(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)s1 ZINC001182414930 795672220 /nfs/dbraw/zinc/67/22/20/795672220.db2.gz QRNJQMMGTWSHHD-CYBMUJFWSA-N 0 3 305.447 2.192 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001182466156 795684616 /nfs/dbraw/zinc/68/46/16/795684616.db2.gz JFHVFMFQCHEAKX-LSDHHAIUSA-N 0 3 318.392 2.117 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC001121894026 795699432 /nfs/dbraw/zinc/69/94/32/795699432.db2.gz CAIRVAVBAMELEA-VNQPRFMTSA-N 0 3 318.417 2.337 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC001121894024 795699552 /nfs/dbraw/zinc/69/95/52/795699552.db2.gz CAIRVAVBAMELEA-CWRNSKLLSA-N 0 3 318.417 2.337 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC001122003869 795715050 /nfs/dbraw/zinc/71/50/50/795715050.db2.gz HRZQNOXLQUCETE-WBVHZDCISA-N 0 3 301.434 2.455 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC001122055735 795721865 /nfs/dbraw/zinc/72/18/65/795721865.db2.gz MVWROZLLDAFKOJ-XJKSGUPXSA-N 0 3 316.417 2.178 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ncccc2C)CC1 ZINC001122111640 795726993 /nfs/dbraw/zinc/72/69/93/795726993.db2.gz CRZGUXDOMMRIDY-AWEZNQCLSA-N 0 3 302.422 2.401 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2cc(C(=O)OC)ccc2C1 ZINC001122130922 795729159 /nfs/dbraw/zinc/72/91/59/795729159.db2.gz AANKIKOZOOVSPP-MRXNPFEDSA-N 0 3 316.401 2.042 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@](C)(C(=O)OCC)c1ccccc1 ZINC001122136685 795730027 /nfs/dbraw/zinc/73/00/27/795730027.db2.gz BXDQQAQOELOJCZ-QAPCUYQASA-N 0 3 318.417 2.265 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCCn2nncc2C1 ZINC001122214637 795736635 /nfs/dbraw/zinc/73/66/35/795736635.db2.gz JKBLCBIWKMBAEP-HNNXBMFYSA-N 0 3 307.442 2.088 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCCSC[C@H]1c1cnn(C)c1 ZINC001122378174 795752221 /nfs/dbraw/zinc/75/22/21/795752221.db2.gz UJTLISABBHFYNI-GJZGRUSLSA-N 0 3 322.478 2.110 20 30 DEEDHN CCOc1ccc(CCN(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC001122407901 795755198 /nfs/dbraw/zinc/75/51/98/795755198.db2.gz QBXVRTARZGFYKO-INIZCTEOSA-N 0 3 303.406 2.107 20 30 DEEDHN N#Cc1ccc(OCC(=O)NCCc2cnc3cc[nH]cc2-3)cc1 ZINC001182920121 795773308 /nfs/dbraw/zinc/77/33/08/795773308.db2.gz HDRAIRLGISLHIF-UHFFFAOYSA-N 0 3 320.352 2.172 20 30 DEEDHN N#Cc1ccc(OCC(=O)NCCc2c[nH]c3ccncc23)cc1 ZINC001182920121 795773312 /nfs/dbraw/zinc/77/33/12/795773312.db2.gz HDRAIRLGISLHIF-UHFFFAOYSA-N 0 3 320.352 2.172 20 30 DEEDHN CC(C)[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)CCO1 ZINC001122607090 795784775 /nfs/dbraw/zinc/78/47/75/795784775.db2.gz VELAZTKBLHVXJR-MJBXVCDLSA-N 0 3 315.373 2.180 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3ncccc3C)C2)CCC1 ZINC001183185712 795818100 /nfs/dbraw/zinc/81/81/00/795818100.db2.gz REUJIHXXYZQIDZ-MRXNPFEDSA-N 0 3 311.429 2.274 20 30 DEEDHN C#CCOCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC001123355632 795899782 /nfs/dbraw/zinc/89/97/82/795899782.db2.gz HSSHZICOIOMXDM-UHFFFAOYSA-N 0 3 301.386 2.479 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC001184077014 795980927 /nfs/dbraw/zinc/98/09/27/795980927.db2.gz FWHJSVGLYAKGPT-HOCLYGCPSA-N 0 3 318.465 2.269 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2ccn(CC)n2)[C@H](C)C1 ZINC001184079094 795989522 /nfs/dbraw/zinc/98/95/22/795989522.db2.gz STLLBTPXLVWXTB-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001184646443 796099190 /nfs/dbraw/zinc/09/91/90/796099190.db2.gz YZWNGVMKUKHPGM-JGOVJGDKSA-N 0 3 300.830 2.158 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001184815201 796132263 /nfs/dbraw/zinc/13/22/63/796132263.db2.gz NHKOCHFLDDHSLK-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2cncc(F)c2)C1 ZINC001184890464 796139798 /nfs/dbraw/zinc/13/97/98/796139798.db2.gz PSDXPPBMBRHHAI-QGZVFWFLSA-N 0 3 317.408 2.495 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001185063295 796172491 /nfs/dbraw/zinc/17/24/91/796172491.db2.gz YWWYGYCVUOOVNQ-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCc1ccc(C(=O)N[C@]2(C)CCCN(C)C2)c(=O)[nH]1 ZINC001185371778 796252067 /nfs/dbraw/zinc/25/20/67/796252067.db2.gz MZXBBHGLPRHRSS-QGZVFWFLSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@@H](NCc3cn(C)nc3C)C2)CC1 ZINC001185438510 796256766 /nfs/dbraw/zinc/25/67/66/796256766.db2.gz DCQAXHREIKFZFM-MRXNPFEDSA-N 0 3 316.449 2.165 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001185951250 796337758 /nfs/dbraw/zinc/33/77/58/796337758.db2.gz MHWPQRAPAHREHK-OAHLLOKOSA-N 0 3 302.422 2.078 20 30 DEEDHN CC[C@H](CC1CCCC1)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001186041512 796354860 /nfs/dbraw/zinc/35/48/60/796354860.db2.gz PKBQTNMOZCFUOP-QZTJIDSGSA-N 0 3 320.477 2.433 20 30 DEEDHN CC(C)(O)CCN1CCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001139693725 796411042 /nfs/dbraw/zinc/41/10/42/796411042.db2.gz PWSDYIYMDNUCFT-UHFFFAOYSA-N 0 3 321.852 2.490 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(CCOCC)CCCC2)C1 ZINC001186601360 796426678 /nfs/dbraw/zinc/42/66/78/796426678.db2.gz NJXRTGOTRPEXAX-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001186674346 796435147 /nfs/dbraw/zinc/43/51/47/796435147.db2.gz NAYPJZHGACUHLL-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001139865620 796438579 /nfs/dbraw/zinc/43/85/79/796438579.db2.gz NAYWNUIYASHFMW-HNNXBMFYSA-N 0 3 315.417 2.292 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001139869994 796439619 /nfs/dbraw/zinc/43/96/19/796439619.db2.gz VVVPUUCAXFHPOD-UHFFFAOYSA-N 0 3 319.405 2.412 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnn(C(C)C)c2C2CC2)C1 ZINC001186949200 796464713 /nfs/dbraw/zinc/46/47/13/796464713.db2.gz KVAZCVOGIYCAOF-OAHLLOKOSA-N 0 3 314.433 2.169 20 30 DEEDHN COC(=O)COc1ccccc1CN1CCC[C@@H](C#N)CC1 ZINC001140425884 796520954 /nfs/dbraw/zinc/52/09/54/796520954.db2.gz PGTKGBWWZYIUDY-CQSZACIVSA-N 0 3 302.374 2.364 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001187340766 796528227 /nfs/dbraw/zinc/52/82/27/796528227.db2.gz FUFHSHHTBQJJLX-OAHLLOKOSA-N 0 3 311.470 2.016 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001187797194 796579176 /nfs/dbraw/zinc/57/91/76/796579176.db2.gz SCRCECXBUUBMRX-CYBMUJFWSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NCC#CCOC)C2)CCCCC1 ZINC001188053543 796617235 /nfs/dbraw/zinc/61/72/35/796617235.db2.gz UBLSPUHHIBMCKN-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN N#Cc1ccc(Oc2ccc(CN3C[C@@H](O)[C@H](CO)C3)cc2)cc1 ZINC001141289601 796656872 /nfs/dbraw/zinc/65/68/72/796656872.db2.gz LFJWRTSCRKPZCM-QFBILLFUSA-N 0 3 324.380 2.136 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3(F)CCCC3)[C@@H]2C1 ZINC001188396418 796664456 /nfs/dbraw/zinc/66/44/56/796664456.db2.gz LGGHSHXIJOVKLE-LSDHHAIUSA-N 0 3 310.413 2.004 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc(CC(C)C)s2)C1 ZINC001188361114 796667242 /nfs/dbraw/zinc/66/72/42/796667242.db2.gz CSYUHFZSPILPHC-CYBMUJFWSA-N 0 3 305.447 2.169 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001188466427 796674336 /nfs/dbraw/zinc/67/43/36/796674336.db2.gz BTLADJGVXFPYQY-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN CSc1nc(CN2CCN(C3CCC3)CC2)ccc1C#N ZINC001141929036 796698651 /nfs/dbraw/zinc/69/86/51/796698651.db2.gz IXQFCOUMLDPWFN-UHFFFAOYSA-N 0 3 302.447 2.345 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc3[nH]cnc32)C1 ZINC001142700079 796763895 /nfs/dbraw/zinc/76/38/95/796763895.db2.gz JAVRCIPCGBHRGM-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN COCCCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189077206 796766899 /nfs/dbraw/zinc/76/68/99/796766899.db2.gz LXEFYQXSNMBETF-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189298848 796799910 /nfs/dbraw/zinc/79/99/10/796799910.db2.gz ASEOJGMQRCKJPX-YOEHRIQHSA-N 0 3 315.417 2.016 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001189527604 796846682 /nfs/dbraw/zinc/84/66/82/796846682.db2.gz POUBYNVDEAFWOL-NCOADZHNSA-N 0 3 306.450 2.158 20 30 DEEDHN C[C@@H]1CC[C@@H](CCC(=O)NCCNCc2cccc(C#N)c2)O1 ZINC001151793990 796864000 /nfs/dbraw/zinc/86/40/00/796864000.db2.gz JEDADGLHCJOCPI-PBHICJAKSA-N 0 3 315.417 2.112 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)C[C@H]2CCCCO2)C1 ZINC001189744192 796875495 /nfs/dbraw/zinc/87/54/95/796875495.db2.gz OWANBBSADJQGTP-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC001189971534 796909310 /nfs/dbraw/zinc/90/93/10/796909310.db2.gz BTGUWQRIXYKUBC-GFCCVEGCSA-N 0 3 312.410 2.236 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@H]1CN(CC)CCCO1)c1ccccc1 ZINC001150754375 796975214 /nfs/dbraw/zinc/97/52/14/796975214.db2.gz ZALSHHQHOOWWPE-IAGOWNOFSA-N 0 3 302.418 2.183 20 30 DEEDHN C#CCC1(C(=O)NC[C@H]2CN(CC)CCCO2)CCCCC1 ZINC001150793309 796979822 /nfs/dbraw/zinc/97/98/22/796979822.db2.gz FAJZINIUIVOGRU-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@@H](C)SC)CC1 ZINC001151075132 797008932 /nfs/dbraw/zinc/00/89/32/797008932.db2.gz OAVWSLRXIKLOMJ-CQSZACIVSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2scnc2CC)C1 ZINC001190526903 797019679 /nfs/dbraw/zinc/01/96/79/797019679.db2.gz DJGMXKHNEHURGA-CYBMUJFWSA-N 0 3 323.462 2.054 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@H](N(C)C[C@H]3CCCCO3)C2)CCC1 ZINC001190605724 797039840 /nfs/dbraw/zinc/03/98/40/797039840.db2.gz ZHRFMBOUSFLFIE-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cccc3cccnc32)C[C@H]1C ZINC001206641152 797043383 /nfs/dbraw/zinc/04/33/83/797043383.db2.gz PQMJJEHONJLDTL-CKEIUWERSA-N 0 3 322.412 2.331 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001206641659 797094661 /nfs/dbraw/zinc/09/46/61/797094661.db2.gz XWVTVRRHFQLDID-PMUMKWKESA-N 0 3 311.429 2.271 20 30 DEEDHN CCN(Cc1cccc(F)c1)[C@H](C)CNC(=O)CSCC#N ZINC001151954352 797123089 /nfs/dbraw/zinc/12/30/89/797123089.db2.gz RREZBVHEDJAAHE-CYBMUJFWSA-N 0 3 323.437 2.409 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001191491614 797208874 /nfs/dbraw/zinc/20/88/74/797208874.db2.gz DNKQWEWAHNYHSO-VXGBXAGGSA-N 0 3 310.360 2.071 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001192241062 797341587 /nfs/dbraw/zinc/34/15/87/797341587.db2.gz NBVCZMQRBQHNFO-GVDBMIGSSA-N 0 3 321.465 2.181 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001192290887 797355587 /nfs/dbraw/zinc/35/55/87/797355587.db2.gz VWGMCMHGETVFAD-IAGOWNOFSA-N 0 3 322.449 2.262 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COC/C=C/c1ccccc1 ZINC001153994738 797439840 /nfs/dbraw/zinc/43/98/40/797439840.db2.gz NZJJZMNZWCMXGZ-XLNAKTSKSA-N 0 3 314.429 2.176 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2ccncc2)c(F)c1 ZINC001154145686 797472380 /nfs/dbraw/zinc/47/23/80/797472380.db2.gz ZRPIPTFFIZWWBR-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)OCc2ccc(F)cc2)C1 ZINC001193775889 797619152 /nfs/dbraw/zinc/61/91/52/797619152.db2.gz AOFFYDQGRKUPTD-RHSMWYFYSA-N 0 3 320.408 2.450 20 30 DEEDHN CCCSCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155158342 797697227 /nfs/dbraw/zinc/69/72/27/797697227.db2.gz WQAUSUYEKBFFJC-UHFFFAOYSA-N 0 3 323.437 2.436 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H](C)c1ccsc1 ZINC001155200429 797706955 /nfs/dbraw/zinc/70/69/55/797706955.db2.gz PSUOLMKLRWKDBI-HUUCEWRRSA-N 0 3 322.474 2.328 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226877 797712401 /nfs/dbraw/zinc/71/24/01/797712401.db2.gz QECOCIVUAIUAQI-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001194397750 797722157 /nfs/dbraw/zinc/72/21/57/797722157.db2.gz ZBMKJZUKTKGZFM-RHSMWYFYSA-N 0 3 320.408 2.450 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnccc1C(F)(F)F ZINC001155460762 797761346 /nfs/dbraw/zinc/76/13/46/797761346.db2.gz ZARDWEPFVYFASO-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)OC ZINC001155475866 797766121 /nfs/dbraw/zinc/76/61/21/797766121.db2.gz VEWMSAKQPKRANR-BARDWOONSA-N 0 3 310.438 2.262 20 30 DEEDHN N#Cc1cnc2cnc(Cl)cc2c1N[C@H]1CN2CCC1CC2 ZINC001155663088 797821196 /nfs/dbraw/zinc/82/11/96/797821196.db2.gz SKYNOWRLSWKQJQ-AWEZNQCLSA-N 0 3 313.792 2.083 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1ccn(C(CC)CC)n1 ZINC001155707166 797832304 /nfs/dbraw/zinc/83/23/04/797832304.db2.gz DIWUOBWIKWQGDF-UHFFFAOYSA-N 0 3 322.453 2.043 20 30 DEEDHN COc1cccc(Cl)c1CNCCCNC(=O)[C@@H](C)C#N ZINC001155841681 797863471 /nfs/dbraw/zinc/86/34/71/797863471.db2.gz IEYMOLCQDMMOJY-NSHDSACASA-N 0 3 309.797 2.104 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCNCc1cc(-c2ccccc2)no1 ZINC001155848378 797865886 /nfs/dbraw/zinc/86/58/86/797865886.db2.gz KGAZEVRWBKDVOR-ZDUSSCGKSA-N 0 3 312.373 2.097 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001195473787 797909550 /nfs/dbraw/zinc/90/95/50/797909550.db2.gz QYKRKCOWYQANIS-QZTJIDSGSA-N 0 3 318.461 2.232 20 30 DEEDHN CC/C=C/CCN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001195497789 797915334 /nfs/dbraw/zinc/91/53/34/797915334.db2.gz QSAAJIBOALARNA-ONEGZZNKSA-N 0 3 300.406 2.391 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001195549436 797924243 /nfs/dbraw/zinc/92/42/43/797924243.db2.gz YJQLBVGFAPMHSC-DJIMGWMZSA-N 0 3 320.477 2.330 20 30 DEEDHN C#CCCCCC(=O)N1CCCN(C[C@H]2CCCCO2)CC1 ZINC001195563175 797929246 /nfs/dbraw/zinc/92/92/46/797929246.db2.gz VVCPUPOGUSUSEO-QGZVFWFLSA-N 0 3 306.450 2.283 20 30 DEEDHN CN(Cc1ccc(NC(=NC#N)c2ccncc2)nc1)C1CC1 ZINC001156325576 797974907 /nfs/dbraw/zinc/97/49/07/797974907.db2.gz FMOWFHJBPVFDML-UHFFFAOYSA-N 0 3 306.373 2.220 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@]1(C)CCOc2ccccc21 ZINC001156403940 797993967 /nfs/dbraw/zinc/99/39/67/797993967.db2.gz UWNKUUNGLIWCPD-BEFAXECRSA-N 0 3 314.429 2.187 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001156422070 797996486 /nfs/dbraw/zinc/99/64/86/797996486.db2.gz XEHJHQOEPWYGRW-SJORKVTESA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCCN(CCCCOC)CC1 ZINC001196172318 798017696 /nfs/dbraw/zinc/01/76/96/798017696.db2.gz YGWYHVLBFKHQIQ-UHFFFAOYSA-N 0 3 319.449 2.249 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CCc1ccccc1 ZINC001156566349 798030827 /nfs/dbraw/zinc/03/08/27/798030827.db2.gz ASANMCSKQPEIPP-QGZVFWFLSA-N 0 3 316.445 2.096 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccccc1C#N ZINC001196343548 798040890 /nfs/dbraw/zinc/04/08/90/798040890.db2.gz LZMBDYCOGGAVGB-AWEZNQCLSA-N 0 3 300.431 2.495 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001196408168 798055816 /nfs/dbraw/zinc/05/58/16/798055816.db2.gz UWNBJELDYRFGIX-MWDXBVQZSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COc1cc(C)ccc1F ZINC001156672328 798058976 /nfs/dbraw/zinc/05/89/76/798058976.db2.gz LLRXKHRTXUWQJD-UHFFFAOYSA-N 0 3 308.397 2.479 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001157000507 798125906 /nfs/dbraw/zinc/12/59/06/798125906.db2.gz NAHMCBDXVUVUAE-UONOGXRCSA-N 0 3 318.465 2.055 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1cccnc1 ZINC001157441581 798206287 /nfs/dbraw/zinc/20/62/87/798206287.db2.gz WMSBHIYTMDHGPB-QGZVFWFLSA-N 0 3 317.433 2.211 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001197841441 798243670 /nfs/dbraw/zinc/24/36/70/798243670.db2.gz LVFMOIWPYYKEPI-NUEKZKHPSA-N 0 3 320.433 2.280 20 30 DEEDHN CC(C)C#CC(=O)NCCCNCc1ccn(C2CCCC2)n1 ZINC001157633268 798246635 /nfs/dbraw/zinc/24/66/35/798246635.db2.gz STJVTRNHRSJWJF-UHFFFAOYSA-N 0 3 316.449 2.254 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1cc(-c2ccccc2)no1 ZINC001157682570 798256399 /nfs/dbraw/zinc/25/63/99/798256399.db2.gz KENFHQPUFAQCSA-UHFFFAOYSA-N 0 3 323.396 2.351 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCOc2cccnc2)CC1 ZINC001198190946 798296599 /nfs/dbraw/zinc/29/65/99/798296599.db2.gz YCVUIVPIVBIICQ-UHFFFAOYSA-N 0 3 317.433 2.351 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001198285341 798307556 /nfs/dbraw/zinc/30/75/56/798307556.db2.gz JOWIRJOTUYWMFB-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CC[C@@H]1CCN1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001198492203 798342746 /nfs/dbraw/zinc/34/27/46/798342746.db2.gz ZTEUUSGPAKCYJC-BRWVUGGUSA-N 0 3 316.401 2.019 20 30 DEEDHN Cc1nc(Cl)nc(N2CCCc3ccc(CN)nc32)c1C#N ZINC001158652076 798444542 /nfs/dbraw/zinc/44/45/42/798444542.db2.gz JJATXWWSMVKMGD-UHFFFAOYSA-N 0 3 314.780 2.248 20 30 DEEDHN N#CCSCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001199388439 798471752 /nfs/dbraw/zinc/47/17/52/798471752.db2.gz WOFJFWCFANUHSL-YFHOEESVSA-N 0 3 322.261 2.143 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(c2cc(CN(C)C)ccn2)C1 ZINC001158915489 798490052 /nfs/dbraw/zinc/49/00/52/798490052.db2.gz SWILUUCVTXVMQU-OAHLLOKOSA-N 0 3 318.421 2.024 20 30 DEEDHN CCOC(=O)[C@H](C#N)Nc1ccc([C@H]2CCCCN2CC)cn1 ZINC001159326819 798553004 /nfs/dbraw/zinc/55/30/04/798553004.db2.gz OZTJPRSFJXFMOS-LSDHHAIUSA-N 0 3 316.405 2.496 20 30 DEEDHN C=CCOCCCC(=O)N1CCC(NCc2nccs2)CC1 ZINC001199986320 798567988 /nfs/dbraw/zinc/56/79/88/798567988.db2.gz FWUVDBVXARYSNV-UHFFFAOYSA-N 0 3 323.462 2.207 20 30 DEEDHN C#CCCCC(=O)N1CCC(NCC(=C)Br)CC1 ZINC001200316794 798613613 /nfs/dbraw/zinc/61/36/13/798613613.db2.gz BHDIPJGZZGDYST-UHFFFAOYSA-N 0 3 313.239 2.279 20 30 DEEDHN N#Cc1cc(CNC(=S)NCCN2CCCCC2)cs1 ZINC001200442411 798629241 /nfs/dbraw/zinc/62/92/41/798629241.db2.gz VOMXVNRWDTZMJC-UHFFFAOYSA-N 0 3 308.476 2.070 20 30 DEEDHN N#Cc1ccc(NC(=S)NCCN2CCCCC2)c(F)c1 ZINC001200430331 798636546 /nfs/dbraw/zinc/63/65/46/798636546.db2.gz NNVXFARXDXTDDI-UHFFFAOYSA-N 0 3 306.410 2.470 20 30 DEEDHN COc1ccc(NC(=S)NCCN2CCCCC2)cc1C#N ZINC001200430765 798636647 /nfs/dbraw/zinc/63/66/47/798636647.db2.gz ZPLNCRBOXAPJSL-UHFFFAOYSA-N 0 3 318.446 2.339 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(C)=C(C)C2)CCCO1 ZINC001200574227 798651563 /nfs/dbraw/zinc/65/15/63/798651563.db2.gz NQAKDMATYAWQRQ-MSOLQXFVSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CCCCC(C)(C)C)CCCO1 ZINC001200574800 798652039 /nfs/dbraw/zinc/65/20/39/798652039.db2.gz UHKPTVLUPUKKCY-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2csc(C)c2C)CCCO1 ZINC001200582492 798652824 /nfs/dbraw/zinc/65/28/24/798652824.db2.gz KBCDWBSWOOGHRP-HNNXBMFYSA-N 0 3 320.458 2.209 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160145315 798654829 /nfs/dbraw/zinc/65/48/29/798654829.db2.gz QZJYQQBDGYUHLX-XUNMKLQISA-N 0 3 315.830 2.214 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@@H](CNC/C=C\Cl)C1 ZINC001200620983 798656704 /nfs/dbraw/zinc/65/67/04/798656704.db2.gz GJDMLGWBOYSACL-UMSKNGNOSA-N 0 3 300.830 2.302 20 30 DEEDHN N#Cc1cnc2cc[nH]c(-n3nc(-c4ccncc4)cc3CN)c1-2 ZINC001160339143 798677442 /nfs/dbraw/zinc/67/74/42/798677442.db2.gz YMNFHRROLRUHFW-UHFFFAOYSA-N 0 3 315.340 2.141 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2snnc2CC)CC1 ZINC001160617754 798712919 /nfs/dbraw/zinc/71/29/19/798712919.db2.gz RNRYJJSBEYEIFP-UHFFFAOYSA-N 0 3 306.435 2.039 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(Cl)n(C)n2)CC1 ZINC001160645430 798714723 /nfs/dbraw/zinc/71/47/23/798714723.db2.gz BVYKVJFCAUEKFE-UHFFFAOYSA-N 0 3 308.813 2.012 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CCCO1 ZINC001201494881 798760318 /nfs/dbraw/zinc/76/03/18/798760318.db2.gz YFVWRWCYOKYLOU-WNRNVDISSA-N 0 3 318.461 2.043 20 30 DEEDHN N#CCc1cncc(NC2CCN(Cc3ccc(O)cc3)CC2)n1 ZINC001161137397 798801593 /nfs/dbraw/zinc/80/15/93/798801593.db2.gz SPRIYLXSFOEXLD-UHFFFAOYSA-N 0 3 323.400 2.325 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2)CCCO1 ZINC001201932386 798808313 /nfs/dbraw/zinc/80/83/13/798808313.db2.gz YEQOOIHUDPMJKW-SFHVURJKSA-N 0 3 314.429 2.264 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2ccn3cc(C)nc3c2)CC1 ZINC001161243028 798815630 /nfs/dbraw/zinc/81/56/30/798815630.db2.gz CLQPSWZBMIEBTJ-UHFFFAOYSA-N 0 3 322.412 2.028 20 30 DEEDHN CC#CCCCC(=O)N1CCC(NCc2snnc2C)CC1 ZINC001202102169 798827297 /nfs/dbraw/zinc/82/72/97/798827297.db2.gz YGIJEDNDDCQFLW-UHFFFAOYSA-N 0 3 320.462 2.121 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001202122759 798829647 /nfs/dbraw/zinc/82/96/47/798829647.db2.gz GSQWPCHNXJAFRE-STQMWFEESA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001161354465 798835034 /nfs/dbraw/zinc/83/50/34/798835034.db2.gz GWUSNQGXTBUDDI-YNEHKIRRSA-N 0 3 315.255 2.427 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CC[C@H]2CCCCO2)CC1 ZINC001161363941 798836851 /nfs/dbraw/zinc/83/68/51/798836851.db2.gz RLYHZQICYBKFSV-GOSISDBHSA-N 0 3 318.461 2.497 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCCO1 ZINC001202242225 798852311 /nfs/dbraw/zinc/85/23/11/798852311.db2.gz BQIMQFSLGHSRGO-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)C1(F)CCCC1 ZINC001161507253 798874449 /nfs/dbraw/zinc/87/44/49/798874449.db2.gz IOHBFLBWDZCXMT-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCn2cccn2)C12CCC2 ZINC001202480869 798928905 /nfs/dbraw/zinc/92/89/05/798928905.db2.gz PPQIHKYVXAEGAY-KBPBESRZSA-N 0 3 322.840 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2c(C)n(C)nc2Cl)CC1 ZINC001161790156 798936824 /nfs/dbraw/zinc/93/68/24/798936824.db2.gz MVYYYILBYMJVFS-UHFFFAOYSA-N 0 3 322.840 2.320 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)Cc2csc(C)n2)CC1 ZINC001161829102 798945380 /nfs/dbraw/zinc/94/53/80/798945380.db2.gz JLKNNGIXWPDMJJ-UHFFFAOYSA-N 0 3 317.458 2.156 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2c(C)onc2CC)CC1 ZINC001161853684 798949649 /nfs/dbraw/zinc/94/96/49/798949649.db2.gz XVIDSLBXTCHVJR-UHFFFAOYSA-N 0 3 315.417 2.321 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC2=CCCCC2)(COC)CC1 ZINC001162171788 799026061 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C#CCNCCN(CCc1ccccc1)C(=O)[C@@H](C)SC ZINC001162710087 799154066 /nfs/dbraw/zinc/15/40/66/799154066.db2.gz NBQSKKHYZYDWLU-OAHLLOKOSA-N 0 3 304.459 2.032 20 30 DEEDHN C#CCCCC(=O)N(CCNCC#CC)CCc1ccccc1 ZINC001162790556 799174327 /nfs/dbraw/zinc/17/43/27/799174327.db2.gz KOTHPKJOFKYWTI-UHFFFAOYSA-N 0 3 310.441 2.474 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1cc[nH]c1CC ZINC001162797824 799177270 /nfs/dbraw/zinc/17/72/70/799177270.db2.gz ICKWEDCZSAOZJN-UHFFFAOYSA-N 0 3 323.440 2.485 20 30 DEEDHN N#CCOc1ccc(CN2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001137118313 799194916 /nfs/dbraw/zinc/19/49/16/799194916.db2.gz SVEMBZPBDGOKKW-SFHVURJKSA-N 0 3 313.401 2.224 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@H](F)CC ZINC001162880638 799195351 /nfs/dbraw/zinc/19/53/51/799195351.db2.gz VSYCAGLVGNJUCM-QGZVFWFLSA-N 0 3 304.409 2.419 20 30 DEEDHN CCN(CC)CCNC(=N)Nc1nc(Cl)c(F)cc1C#N ZINC001163122823 799251850 /nfs/dbraw/zinc/25/18/50/799251850.db2.gz RFGWZGPVBJWTBX-UHFFFAOYSA-N 0 3 312.780 2.024 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(C)n(C)nc2Cl)CC1 ZINC001006339592 799260570 /nfs/dbraw/zinc/26/05/70/799260570.db2.gz LGAOQDNZHVJCGD-UHFFFAOYSA-N 0 3 324.856 2.494 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1cc(C2CC2)on1 ZINC001163492635 799357119 /nfs/dbraw/zinc/35/71/19/799357119.db2.gz RQDNAUGYOBGZAS-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202688416 799359693 /nfs/dbraw/zinc/35/96/93/799359693.db2.gz NIKXMEUGSXFVFF-UHFFFAOYSA-N 0 3 316.449 2.468 20 30 DEEDHN CCC[C@@H](OC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001163838116 799444377 /nfs/dbraw/zinc/44/43/77/799444377.db2.gz IYVPDFTUMNVYPY-MRXNPFEDSA-N 0 3 321.396 2.108 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CO[C@@H](C)CC)CC1 ZINC001164120876 799515118 /nfs/dbraw/zinc/51/51/18/799515118.db2.gz ZOFAWWZZEHRKCV-ZDUSSCGKSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCc1cccc(OC)n1 ZINC001164221342 799543802 /nfs/dbraw/zinc/54/38/02/799543802.db2.gz AHDIODPAKHVXOR-KBPBESRZSA-N 0 3 305.422 2.144 20 30 DEEDHN CC(C)[Si](C#CN(C)S(=O)(=O)CCN)(C(C)C)C(C)C ZINC001164296809 799562636 /nfs/dbraw/zinc/56/26/36/799562636.db2.gz QJQZYUOCEXAQMA-UHFFFAOYSA-N 0 3 318.559 2.386 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001164360005 799582179 /nfs/dbraw/zinc/58/21/79/799582179.db2.gz CCQBTHJTBLAMGF-HNNXBMFYSA-N 0 3 318.465 2.418 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001149058247 799636814 /nfs/dbraw/zinc/63/68/14/799636814.db2.gz IADXRYKJKNKPTP-MWWKQMNYSA-N 0 3 304.390 2.076 20 30 DEEDHN CN(C)C1(C)CN(C(F)(F)c2cc(C#N)cc(Cl)n2)C1 ZINC001165117166 799653998 /nfs/dbraw/zinc/65/39/98/799653998.db2.gz AQAQKYBHESGKDA-UHFFFAOYSA-N 0 3 300.740 2.292 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C3CC3)c1Cl)C2 ZINC001095687919 799694623 /nfs/dbraw/zinc/69/46/23/799694623.db2.gz ZTJUKSLGYCMHQR-WOPDTQHZSA-N 0 3 320.824 2.462 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C2(CCOC)CC2)CC1 ZINC001165383342 799716712 /nfs/dbraw/zinc/71/67/12/799716712.db2.gz 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C#CCC1(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000933299461 800064527 /nfs/dbraw/zinc/06/45/27/800064527.db2.gz SPMUFEOFLWWQFI-HNNXBMFYSA-N 0 3 313.357 2.236 20 30 DEEDHN N#Cc1ccc(CN2CC[C@]3(CCN3c3ncccn3)C2)cc1 ZINC001203901412 800143732 /nfs/dbraw/zinc/14/37/32/800143732.db2.gz BVZJKHKNRLCOFK-SFHVURJKSA-N 0 3 305.385 2.203 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cn(C)nc1C)C2 ZINC001204581359 800234690 /nfs/dbraw/zinc/23/46/90/800234690.db2.gz WOTDNLYEKPCNAR-ZWKOTPCHSA-N 0 3 319.449 2.302 20 30 DEEDHN N#CC1(C[C@H](O)CN(Cc2ccoc2)C2CC2)CCOCC1 ZINC000934003236 800239472 /nfs/dbraw/zinc/23/94/72/800239472.db2.gz DJANFQQSMHACGX-INIZCTEOSA-N 0 3 304.390 2.315 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1OC ZINC000934322571 800321928 /nfs/dbraw/zinc/32/19/28/800321928.db2.gz NPFNIZOHSJBWTK-CABCVRRESA-N 0 3 313.401 2.266 20 30 DEEDHN C#C[C@H]1CCCCN1C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000934515988 800379121 /nfs/dbraw/zinc/37/91/21/800379121.db2.gz APBZIMVDXCNCLT-ZWKOTPCHSA-N 0 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MEVWHBBXCFNFRJ-UHFFFAOYSA-N 0 3 312.417 2.185 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)/C=C/c2ccco2)[C@@H](O)C1 ZINC001219115450 802284037 /nfs/dbraw/zinc/28/40/37/802284037.db2.gz CBOGUBOYSBTCEG-ZUQFGZKASA-N 0 3 318.417 2.201 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@@H]1O ZINC001219335002 802312940 /nfs/dbraw/zinc/31/29/40/802312940.db2.gz NNFMSPXZSPQPJT-UAGQMJEPSA-N 0 3 302.418 2.184 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCCCC=C)C[C@@H]1O ZINC001219482000 802337202 /nfs/dbraw/zinc/33/72/02/802337202.db2.gz GWVCLDOQEIWCIS-SJORKVTESA-N 0 3 306.450 2.088 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001219482165 802337667 /nfs/dbraw/zinc/33/76/67/802337667.db2.gz NPGNXZRAXLIGQW-CVEARBPZSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001234266630 802339035 /nfs/dbraw/zinc/33/90/35/802339035.db2.gz RMFUORQRBNTAJF-RDJZCZTQSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccsc2C)[C@@H](O)C1 ZINC001219574530 802348589 /nfs/dbraw/zinc/34/85/89/802348589.db2.gz DLFISAYHJWMXMW-GLQYFDAESA-N 0 3 308.447 2.186 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@@H]1O ZINC001220146775 802414247 /nfs/dbraw/zinc/41/42/47/802414247.db2.gz QOSJWSULPWYTJI-WOTWFYSVSA-N 0 3 306.450 2.088 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)CCC1 ZINC001220295425 802440576 /nfs/dbraw/zinc/44/05/76/802440576.db2.gz PSZXCIIWMFDTGJ-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCc2ccc(C)s2)[C@@H](O)C1 ZINC001221202434 802536718 /nfs/dbraw/zinc/53/67/18/802536718.db2.gz AXKMNCFPBCMCBW-CVEARBPZSA-N 0 3 322.474 2.117 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCN(CCOCCCC)C[C@H]21 ZINC001221512892 802585981 /nfs/dbraw/zinc/58/59/81/802585981.db2.gz SZTIDIIXLNPGOL-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001222072549 802637843 /nfs/dbraw/zinc/63/78/43/802637843.db2.gz KEGUBNDMMKDIFN-ZIAGYGMSSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001222072530 802638022 /nfs/dbraw/zinc/63/80/22/802638022.db2.gz SDBXYBMDDZGBSN-ARFHVFGLSA-N 0 3 312.429 2.250 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC001222190288 802653068 /nfs/dbraw/zinc/65/30/68/802653068.db2.gz KYMVUOMXBHOOFE-CABCVRRESA-N 0 3 304.390 2.019 20 30 DEEDHN O=C(C#CC1CC1)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223129956 802768451 /nfs/dbraw/zinc/76/84/51/802768451.db2.gz HXYQPFZAIVXCGH-UHFFFAOYSA-N 0 3 302.340 2.180 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC001223901000 802821620 /nfs/dbraw/zinc/82/16/20/802821620.db2.gz SPJHCVKLGMHZMH-ZWKOTPCHSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001223958647 802825598 /nfs/dbraw/zinc/82/55/98/802825598.db2.gz OVWYBXPBQOZQGH-KRWDZBQOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCC1CCN(CC#CC)CC1 ZINC001223957602 802825719 /nfs/dbraw/zinc/82/57/19/802825719.db2.gz DFIUORLQDUOLDN-SFHVURJKSA-N 0 3 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ZINC001228748172 803405217 /nfs/dbraw/zinc/40/52/17/803405217.db2.gz JXQBCQFAUAXBBI-GJZGRUSLSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228810575 803416790 /nfs/dbraw/zinc/41/67/90/803416790.db2.gz XFJMUTAAPHQWTH-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cn2c(n1)CCC2 ZINC001330818286 1149305025 /nfs/dbraw/zinc/30/50/25/1149305025.db2.gz BHVSSXHYFMRIIP-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001370097540 1149388052 /nfs/dbraw/zinc/38/80/52/1149388052.db2.gz ZYSVVYRGLXLHBL-MNOVXSKESA-N 0 3 303.328 2.069 20 30 DEEDHN CCCC(=O)NC[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001370122528 1149394762 /nfs/dbraw/zinc/39/47/62/1149394762.db2.gz CNZLCIDQICZEJN-INIZCTEOSA-N 0 3 303.381 2.482 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC[C@@H]2CCCO2)C(C)(C)C1 ZINC001328061549 1148709124 /nfs/dbraw/zinc/70/91/24/1148709124.db2.gz OUGCZSXZTBJHBC-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC[C@H]2CCCO2)C(C)(C)C1 ZINC001328061547 1148709550 /nfs/dbraw/zinc/70/95/50/1148709550.db2.gz OUGCZSXZTBJHBC-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1[nH]nc2ccccc21)C1CC1 ZINC001370267008 1149444381 /nfs/dbraw/zinc/44/43/81/1149444381.db2.gz USCWTXBZFPFQRO-CQSZACIVSA-N 0 3 318.808 2.413 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1sccc1Cl ZINC001331453783 1149460859 /nfs/dbraw/zinc/46/08/59/1149460859.db2.gz AIJKLMVWQXJCQP-LLVKDONJSA-N 0 3 314.838 2.101 20 30 DEEDHN CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001370289186 1149479178 /nfs/dbraw/zinc/47/91/78/1149479178.db2.gz HPQXGYCGBYNZMS-HIFRSBDPSA-N 0 3 320.412 2.418 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001331517247 1149499414 /nfs/dbraw/zinc/49/94/14/1149499414.db2.gz FCXSIOSJMRXLFS-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2ccnn2C)CCCC1 ZINC001419607364 1168664106 /nfs/dbraw/zinc/66/41/06/1168664106.db2.gz 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ZINC001574962163 1069310802 /nfs/dbraw/zinc/31/08/02/1069310802.db2.gz GMRXGHOKFNEDBL-LSDHHAIUSA-N 0 3 324.428 2.318 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc(F)ccc1N(C)C ZINC001343797390 1150773982 /nfs/dbraw/zinc/77/39/82/1150773982.db2.gz TUAWWBVLNWNQST-FZMZJTMJSA-N 0 3 306.385 2.090 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC001574971762 1069314225 /nfs/dbraw/zinc/31/42/25/1069314225.db2.gz HWVZWBGQYAUIPW-BBRMVZONSA-N 0 3 315.417 2.028 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001327253003 1148405919 /nfs/dbraw/zinc/40/59/19/1148405919.db2.gz ZZCIEHADCKLISP-UHFFFAOYSA-N 0 3 313.401 2.204 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001343935757 1150785418 /nfs/dbraw/zinc/78/54/18/1150785418.db2.gz FJDXXBLNNAAYOR-KFWWJZLASA-N 0 3 321.469 2.217 20 30 DEEDHN C#CCN(CC)Cc1cccc(C(=O)[O-])c1C[N@H+](CC)CC#C ZINC001588467961 983499338 /nfs/dbraw/zinc/49/93/38/983499338.db2.gz IXGDPUUSYPUMQL-UHFFFAOYSA-N 0 3 312.413 2.295 20 30 DEEDHN C#CCN(CC)Cc1cccc(C(=O)[O-])c1C[N@@H+](CC)CC#C ZINC001588467961 983499342 /nfs/dbraw/zinc/49/93/42/983499342.db2.gz IXGDPUUSYPUMQL-UHFFFAOYSA-N 0 3 312.413 2.295 20 30 DEEDHN C[C@@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)C#CC1CC1 ZINC001331880773 1149749143 /nfs/dbraw/zinc/74/91/43/1149749143.db2.gz YSEPTXPZZXYBEQ-ZYHUDNBSSA-N 0 3 301.217 2.298 20 30 DEEDHN C=C[C@H](C(=O)N[C@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC001346765899 1151022425 /nfs/dbraw/zinc/02/24/25/1151022425.db2.gz ZZEYMQDTYDGLQN-AEFFLSMTSA-N 0 3 315.461 2.098 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001522634462 1069428209 /nfs/dbraw/zinc/42/82/09/1069428209.db2.gz IEOIVSQTDGOTAY-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCCCN1CCOC2(CCN(C(=O)COC)CC2)C1 ZINC001328485140 1148801645 /nfs/dbraw/zinc/80/16/45/1148801645.db2.gz DPFNRRWOAYZDGD-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CC[N@@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001602852179 1069778212 /nfs/dbraw/zinc/77/82/12/1069778212.db2.gz LOQSNDUTVHYQFR-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001602852179 1069778220 /nfs/dbraw/zinc/77/82/20/1069778220.db2.gz LOQSNDUTVHYQFR-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001602852179 1069778231 /nfs/dbraw/zinc/77/82/31/1069778231.db2.gz LOQSNDUTVHYQFR-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001602852179 1069778241 /nfs/dbraw/zinc/77/82/41/1069778241.db2.gz LOQSNDUTVHYQFR-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC001460153391 1058272020 /nfs/dbraw/zinc/27/20/20/1058272020.db2.gz YWDSEJZJCVNSDH-QZTJIDSGSA-N 0 3 300.402 2.340 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCC[C@H]2CNCCF)cc1 ZINC001499954837 1058398470 /nfs/dbraw/zinc/39/84/70/1058398470.db2.gz IFAVTEQUXIMIPO-INIZCTEOSA-N 0 3 320.408 2.344 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)COC2CCCCC2)CC1 ZINC001499990142 1058419036 /nfs/dbraw/zinc/41/90/36/1058419036.db2.gz UCKGPEGDOYUDML-UHFFFAOYSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Oc2cccnc2)CC1 ZINC001499997649 1058421598 /nfs/dbraw/zinc/42/15/98/1058421598.db2.gz NXGSKUJCKIUJMZ-AWEZNQCLSA-N 0 3 303.406 2.006 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)COc2cccc(C)c2)CC1 ZINC001500006682 1058427125 /nfs/dbraw/zinc/42/71/25/1058427125.db2.gz HYXQHQZFKGUGLB-UHFFFAOYSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)CC1 ZINC001500012471 1058429935 /nfs/dbraw/zinc/42/99/35/1058429935.db2.gz FQOOYDIDIXRJTN-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN CN(CCc1cccc(C#N)c1)Cc1cc(=O)n2ccsc2n1 ZINC001460662275 1058485081 /nfs/dbraw/zinc/48/50/81/1058485081.db2.gz HTUUOYREBZTAIT-UHFFFAOYSA-N 0 3 324.409 2.302 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H](C)OC)C2 ZINC001500156289 1058527695 /nfs/dbraw/zinc/52/76/95/1058527695.db2.gz MOEJKRMOULSPSG-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(CCCOc2ccccc2)C1 ZINC001500197474 1058579410 /nfs/dbraw/zinc/57/94/10/1058579410.db2.gz JVZVPVOMESDFFU-YJBOKZPZSA-N 0 3 315.417 2.196 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCCn2nc(C)cc2C)C1 ZINC001500264490 1058650326 /nfs/dbraw/zinc/65/03/26/1058650326.db2.gz KUJHXQFWFIWRGX-QGZVFWFLSA-N 0 3 304.438 2.047 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001500529819 1058901796 /nfs/dbraw/zinc/90/17/96/1058901796.db2.gz NMZIXLHXABSWLA-GOSISDBHSA-N 0 3 316.449 2.319 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cnn3ccccc23)C1 ZINC001500538872 1058907054 /nfs/dbraw/zinc/90/70/54/1058907054.db2.gz QKIHUNCYTVIBPV-SFHVURJKSA-N 0 3 312.417 2.352 20 30 DEEDHN CC(C)N1CCC(NC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC001463730531 1059015554 /nfs/dbraw/zinc/01/55/54/1059015554.db2.gz DUOFZHYCNSDUFM-YVMONPNESA-N 0 3 318.392 2.397 20 30 DEEDHN C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC(C)(C)C ZINC001501386896 1059482163 /nfs/dbraw/zinc/48/21/63/1059482163.db2.gz POBALSIAUONZLH-DLBZAZTESA-N 0 3 318.461 2.304 20 30 DEEDHN C=CC[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(=O)OCC ZINC001466783224 1059536750 /nfs/dbraw/zinc/53/67/50/1059536750.db2.gz HUCQSTUTROJEEN-HOTGVXAUSA-N 0 3 322.449 2.408 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccnnc2)cc1 ZINC001501681346 1059631425 /nfs/dbraw/zinc/63/14/25/1059631425.db2.gz HELZHBFHEFDMSE-AWEZNQCLSA-N 0 3 308.385 2.081 20 30 DEEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)c1cc[nH]c1 ZINC001329030455 1148859340 /nfs/dbraw/zinc/85/93/40/1148859340.db2.gz AWNPWQNGKIITGT-KGLIPLIRSA-N 0 3 313.376 2.302 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)cc(C(=O)OC)c1 ZINC001467728309 1059693768 /nfs/dbraw/zinc/69/37/68/1059693768.db2.gz DYYDOLJDCJBFAG-UHFFFAOYSA-N 0 3 322.380 2.192 20 30 DEEDHN C#CCNC1(CNC(=O)c2c(C)occ2C(F)(F)F)CCC1 ZINC001501983141 1059834444 /nfs/dbraw/zinc/83/44/44/1059834444.db2.gz PTCSVFKOOLEFSZ-UHFFFAOYSA-N 0 3 314.307 2.482 20 30 DEEDHN CCC(CC)CC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001502142207 1059988673 /nfs/dbraw/zinc/98/86/73/1059988673.db2.gz CDMGWJDICVBALP-QGZVFWFLSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](OC)C2CCCC2)CC1 ZINC001502145758 1059992313 /nfs/dbraw/zinc/99/23/13/1059992313.db2.gz XRFLXFAPSRRCLV-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001502145038 1059994135 /nfs/dbraw/zinc/99/41/35/1059994135.db2.gz JHORARNMQVRRQD-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001502335802 1060049711 /nfs/dbraw/zinc/04/97/11/1060049711.db2.gz AMEMMLNUEZTSLW-FGTMMUONSA-N 0 3 318.461 2.019 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2ccccc2nn1 ZINC001502360071 1060073459 /nfs/dbraw/zinc/07/34/59/1060073459.db2.gz KMTMWLDKCVUSMA-UHFFFAOYSA-N 0 3 310.401 2.047 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC001470350834 1060086210 /nfs/dbraw/zinc/08/62/10/1060086210.db2.gz DEPLHFBIOBMHNC-VXLLPVPCSA-N 0 3 305.466 2.456 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCOc1cc(C)ccc1C ZINC001502395321 1060107818 /nfs/dbraw/zinc/10/78/18/1060107818.db2.gz SEZGUWRRCKRANL-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)COCCC)CC2)C1 ZINC001503723562 1060464318 /nfs/dbraw/zinc/46/43/18/1060464318.db2.gz NELRHEMLQPFHHX-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)OC ZINC001505413699 1060549615 /nfs/dbraw/zinc/54/96/15/1060549615.db2.gz NDSDVUGFIWACJK-MZMPZRCHSA-N 0 3 302.418 2.359 20 30 DEEDHN C=CCN(C)CCN(CC)c1cc(CCC)nc2ncnn21 ZINC001472818108 1060588447 /nfs/dbraw/zinc/58/84/47/1060588447.db2.gz VEAUXFNMCLMCSP-UHFFFAOYSA-N 0 3 302.426 2.021 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)CCn1cccn1 ZINC001505446684 1060612292 /nfs/dbraw/zinc/61/22/92/1060612292.db2.gz QLHNZUZVTKTPLD-INIZCTEOSA-N 0 3 318.465 2.408 20 30 DEEDHN C[C@@H](NC(=O)COC(C)(C)C)[C@H](C)NCC#Cc1ccccc1 ZINC001505588167 1060745677 /nfs/dbraw/zinc/74/56/77/1060745677.db2.gz HOTQTWPNJLQFGV-JKSUJKDBSA-N 0 3 316.445 2.336 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC001505601774 1060765634 /nfs/dbraw/zinc/76/56/34/1060765634.db2.gz AKRXBSDZUVRGRG-CHWSQXEVSA-N 0 3 307.825 2.377 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001505608906 1060774681 /nfs/dbraw/zinc/77/46/81/1060774681.db2.gz CXPUSAFQEADHMV-RYUDHWBXSA-N 0 3 301.394 2.021 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(C(C)C)n2)C1 ZINC001505685905 1060863697 /nfs/dbraw/zinc/86/36/97/1060863697.db2.gz JSIDAAUZNKICNB-QWHCGFSZSA-N 0 3 319.453 2.267 20 30 DEEDHN C[C@H](CNC(=O)c1cccn1C)N(C)Cc1cccc(C#N)c1 ZINC001505868548 1061059324 /nfs/dbraw/zinc/05/93/24/1061059324.db2.gz AJZGAOAIOJWITQ-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001496033051 1061063207 /nfs/dbraw/zinc/06/32/07/1061063207.db2.gz PSJBZUUUJMEGDC-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001505918343 1061132729 /nfs/dbraw/zinc/13/27/29/1061132729.db2.gz KENBGHNGGXYMQV-ZDUSSCGKSA-N 0 3 322.474 2.341 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001505944116 1061160411 /nfs/dbraw/zinc/16/04/11/1061160411.db2.gz RTWSMYJTLJZWOA-HOTGVXAUSA-N 0 3 301.434 2.135 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)[C@@H]1C ZINC001479704339 1061621603 /nfs/dbraw/zinc/62/16/03/1061621603.db2.gz VQSBBOGPZPGFBJ-QAPCUYQASA-N 0 3 314.429 2.061 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@@H](C)n2cccc2)[C@H]1C ZINC001479724247 1061641780 /nfs/dbraw/zinc/64/17/80/1061641780.db2.gz CVXFECUGJZHHFP-ZACQAIPSSA-N 0 3 319.449 2.221 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1cc[nH]c1 ZINC001479735127 1061660223 /nfs/dbraw/zinc/66/02/23/1061660223.db2.gz MVHQYMGTZGXCFX-INIZCTEOSA-N 0 3 305.422 2.144 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1n[nH]c(C)n1 ZINC001479820294 1061839525 /nfs/dbraw/zinc/83/95/25/1061839525.db2.gz BLUQDZGFBFQDNR-HIFRSBDPSA-N 0 3 319.453 2.329 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CN(C)c2ccccc2)C1 ZINC001479916540 1062049623 /nfs/dbraw/zinc/04/96/23/1062049623.db2.gz OBGNQUJNMCLCHG-INIZCTEOSA-N 0 3 301.434 2.280 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COCCc2ccccc2)C1 ZINC001479972292 1062133478 /nfs/dbraw/zinc/13/34/78/1062133478.db2.gz PZMZIWAXLJFSNP-KRWDZBQOSA-N 0 3 302.418 2.012 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CC(F)(F)C(F)F ZINC001506576632 1062151073 /nfs/dbraw/zinc/15/10/73/1062151073.db2.gz UHLIJUUUWGWOCU-LLVKDONJSA-N 0 3 308.319 2.271 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](NCc1cnc(C)nc1)C1CC1 ZINC001480024079 1062201475 /nfs/dbraw/zinc/20/14/75/1062201475.db2.gz WOBNPIBQGWSIFK-INIZCTEOSA-N 0 3 316.449 2.372 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cc(-c3ccccc3)no2)C1 ZINC001480197536 1062452115 /nfs/dbraw/zinc/45/21/15/1062452115.db2.gz WRWMEFLZPTUJIT-AEGPPILISA-N 0 3 324.384 2.238 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cccc(OC)n2)C1 ZINC001480206143 1062462989 /nfs/dbraw/zinc/46/29/89/1062462989.db2.gz 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/nfs/dbraw/zinc/64/51/97/1062645197.db2.gz JUVUVSYWGSAUCM-QGZVFWFLSA-N 0 3 313.445 2.353 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001480327301 1062657323 /nfs/dbraw/zinc/65/73/23/1062657323.db2.gz CCIAXDNFKWDXGB-CVEARBPZSA-N 0 3 304.438 2.381 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)CN(C)CCC ZINC001480332999 1062669308 /nfs/dbraw/zinc/66/93/08/1062669308.db2.gz PKLRXLUXYSUXSU-CQSZACIVSA-N 0 3 301.862 2.051 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C[C@H](C)NCc1ccccc1OC1CC1 ZINC001507058400 1062753178 /nfs/dbraw/zinc/75/31/78/1062753178.db2.gz AYGNURXAYBLDQK-KGLIPLIRSA-N 0 3 315.417 2.324 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2cccnc2C)C1 ZINC001480383568 1062765549 /nfs/dbraw/zinc/76/55/49/1062765549.db2.gz QCJHIMUCCHPJJP-FUHWJXTLSA-N 0 3 313.445 2.173 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C1=CCCCCC1 ZINC001507068652 1062778453 /nfs/dbraw/zinc/77/84/53/1062778453.db2.gz RVVUQTZDHSOVIP-GJZGRUSLSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)COc2ccsc2)C1 ZINC001480388130 1062778978 /nfs/dbraw/zinc/77/89/78/1062778978.db2.gz VQXITXUTRHKIBK-GJZGRUSLSA-N 0 3 320.458 2.367 20 30 DEEDHN C[C@@H](CN(C)C(=O)C#CC1CC1)NCC#Cc1ccc(F)cc1 ZINC001507074575 1062785542 /nfs/dbraw/zinc/78/55/42/1062785542.db2.gz GNJXMSSACWEVJZ-HNNXBMFYSA-N 0 3 312.388 2.027 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1cccc(OCCC)c1 ZINC001507145588 1062913659 /nfs/dbraw/zinc/91/36/59/1062913659.db2.gz YUEOFSGFASKORE-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NCc2ccc(CF)cc2)C1 ZINC001507230629 1062981488 /nfs/dbraw/zinc/98/14/88/1062981488.db2.gz ABJFXYJNOUUJNK-INIZCTEOSA-N 0 3 320.408 2.079 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCc2ccc(OC)nc2)CCC1 ZINC001480531573 1062989519 /nfs/dbraw/zinc/98/95/19/1062989519.db2.gz CUZNEZVCNGMONH-AWEZNQCLSA-N 0 3 317.433 2.431 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(C)F ZINC001507270503 1063010059 /nfs/dbraw/zinc/01/00/59/1063010059.db2.gz RDPAPJCCAPJZDU-ZBFHGGJFSA-N 0 3 302.393 2.365 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@H]1C ZINC001507279989 1063023762 /nfs/dbraw/zinc/02/37/62/1063023762.db2.gz FZLMTLPWTWOZJZ-CJNGLKHVSA-N 0 3 316.449 2.466 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(-c2ccccc2)nc1 ZINC001480560256 1063033993 /nfs/dbraw/zinc/03/39/93/1063033993.db2.gz VOOZXRQINYIKQA-OAHLLOKOSA-N 0 3 307.397 2.480 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001507310660 1063074498 /nfs/dbraw/zinc/07/44/98/1063074498.db2.gz RRNCXOLRQMEZOI-HIFRSBDPSA-N 0 3 324.380 2.009 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001480601064 1063092393 /nfs/dbraw/zinc/09/23/93/1063092393.db2.gz KNWXVSZFWXUTRE-FUHWJXTLSA-N 0 3 306.450 2.257 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCOc2ccccc2)C1 ZINC001507330539 1063105238 /nfs/dbraw/zinc/10/52/38/1063105238.db2.gz HFJPDSJTWVXCKG-CVEARBPZSA-N 0 3 300.402 2.058 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2ccccc2CC)C1 ZINC001507331136 1063107897 /nfs/dbraw/zinc/10/78/97/1063107897.db2.gz MTGZOUJFJSLEKY-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCOCCN1CC[C@@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC001507337114 1063118441 /nfs/dbraw/zinc/11/84/41/1063118441.db2.gz VXTVWQVEIBRULP-WBVHZDCISA-N 0 3 304.390 2.209 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2csnc2OC)C1 ZINC001480633803 1063132379 /nfs/dbraw/zinc/13/23/79/1063132379.db2.gz HGRXEIREGDBHGJ-LBPRGKRZSA-N 0 3 309.435 2.056 20 30 DEEDHN CCC1(C(=O)N2C[C@H](NCC#CCOC)C(C)(C)C2)CCC1 ZINC001507442262 1063288103 /nfs/dbraw/zinc/28/81/03/1063288103.db2.gz CTWGGWIMGBMLCP-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN O=C(C#CC1CC1)NCCC[C@@H]1CCCN1Cc1ccns1 ZINC001480821642 1063395048 /nfs/dbraw/zinc/39/50/48/1063395048.db2.gz BGIYBSOBKLPYEY-OAHLLOKOSA-N 0 3 317.458 2.417 20 30 DEEDHN CCN(CCNC(=O)Cc1ccc[nH]1)Cc1ccc(C#N)cc1 ZINC001493064989 1063526231 /nfs/dbraw/zinc/52/62/31/1063526231.db2.gz ZNBXLTGDQLFFIW-UHFFFAOYSA-N 0 3 310.401 2.067 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1CCCc1ccsc1 ZINC001493085938 1063550055 /nfs/dbraw/zinc/55/00/55/1063550055.db2.gz JJCFHNGKLBWXHC-ZFWWWQNUSA-N 0 3 305.447 2.421 20 30 DEEDHN C=CCN1CC=C(CNC(=O)CCc2nc(C(C)C)no2)CC1 ZINC001508212546 1063612360 /nfs/dbraw/zinc/61/23/60/1063612360.db2.gz DZAAZYQOPBXYEI-UHFFFAOYSA-N 0 3 318.421 2.060 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cnn(C2CCC2)c1)C1CC1 ZINC001493373159 1063753026 /nfs/dbraw/zinc/75/30/26/1063753026.db2.gz YIRKYUCQMREYDO-UHFFFAOYSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1nncc2ccccc21)C1CC1 ZINC001493393549 1063766179 /nfs/dbraw/zinc/76/61/79/1063766179.db2.gz YMMXZNAVXIQRHC-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN Cc1ccn(C)c1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493527405 1063850114 /nfs/dbraw/zinc/85/01/14/1063850114.db2.gz OJUIOEASBNUAOF-UHFFFAOYSA-N 0 3 316.430 2.129 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001493665660 1063906166 /nfs/dbraw/zinc/90/61/66/1063906166.db2.gz WTSFMIKKJUHQCQ-OAHLLOKOSA-N 0 3 309.360 2.239 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)c1coc(C2CC2)n1 ZINC001493722741 1063935620 /nfs/dbraw/zinc/93/56/20/1063935620.db2.gz PCTHUAUPRBNNDJ-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN CC[C@H](CN[C@H](CNC(=O)C#CC1CC1)c1ccccc1)OC ZINC001493889157 1064012576 /nfs/dbraw/zinc/01/25/76/1064012576.db2.gz KPBKBCDGJUZIKR-QZTJIDSGSA-N 0 3 314.429 2.272 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2csc(=O)[nH]2)C1 ZINC001493959323 1064041671 /nfs/dbraw/zinc/04/16/71/1064041671.db2.gz CKROJVPSUMXGIR-LBPRGKRZSA-N 0 3 309.435 2.351 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)c2cc(C)cs2)C1 ZINC001494013406 1064081681 /nfs/dbraw/zinc/08/16/81/1064081681.db2.gz GTSBKXHGTUCMRR-HNNXBMFYSA-N 0 3 320.458 2.148 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC001567351751 1064154529 /nfs/dbraw/zinc/15/45/29/1064154529.db2.gz GYPHSWDAMLBWOC-UHFFFAOYSA-N 0 3 306.406 2.250 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001567402224 1064181850 /nfs/dbraw/zinc/18/18/50/1064181850.db2.gz BGUJYRHSPTYERK-KRWDZBQOSA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001567409955 1064186992 /nfs/dbraw/zinc/18/69/92/1064186992.db2.gz RZQBYDZQOSWTQE-CVEARBPZSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)/C=C/c2ccco2)C1 ZINC001494254493 1064187398 /nfs/dbraw/zinc/18/73/98/1064187398.db2.gz FNDBMOYGJHGNJR-MVGZEHJDSA-N 0 3 304.390 2.076 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(Cc1ccc(C)cc1)C1CC1 ZINC001567441909 1064201029 /nfs/dbraw/zinc/20/10/29/1064201029.db2.gz BVAIQTCYWXBIMR-INIZCTEOSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCN(CCNC(=O)c1c(F)cccc1NC(C)=O)C1CC1 ZINC001567451081 1064203968 /nfs/dbraw/zinc/20/39/68/1064203968.db2.gz CDYDXACVVJPDPW-UHFFFAOYSA-N 0 3 319.380 2.164 20 30 DEEDHN C=CC1(CC(=O)N[C@H]2CCCN(C[C@H](C)O)C2)CCCCC1 ZINC001494325998 1064214458 /nfs/dbraw/zinc/21/44/58/1064214458.db2.gz ZFASXYPLBYDQRI-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCN(C)C(=O)C1(C)CCCCCC1 ZINC001567509665 1064229686 /nfs/dbraw/zinc/22/96/86/1064229686.db2.gz PRAAWLMTKJHYTB-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@@H](OC)C1CCC1)c1ccccc1 ZINC001567661390 1064324154 /nfs/dbraw/zinc/32/41/54/1064324154.db2.gz YAYDETLAPDYVMB-MSOLQXFVSA-N 0 3 314.429 2.272 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1ncnc2[nH]ccc21)c1ccccc1 ZINC001567661085 1064325666 /nfs/dbraw/zinc/32/56/66/1064325666.db2.gz QDDPSIUNDRTRFP-OAHLLOKOSA-N 0 3 321.384 2.156 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CCOCC1 ZINC001567669870 1064332906 /nfs/dbraw/zinc/33/29/06/1064332906.db2.gz PWXVOKNTDNCQIA-HDICACEKSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@@H](C)O ZINC001567672207 1064332996 /nfs/dbraw/zinc/33/29/96/1064332996.db2.gz WOBPXSABUAHZLZ-OAGGEKHMSA-N 0 3 308.466 2.425 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001494599484 1064345473 /nfs/dbraw/zinc/34/54/73/1064345473.db2.gz UXLUKJVIXXSGOV-UHFFFAOYSA-N 0 3 309.413 2.090 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001567720099 1064374462 /nfs/dbraw/zinc/37/44/62/1064374462.db2.gz JNOPSLZBWDLTPT-GOSISDBHSA-N 0 3 319.493 2.385 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CN(C)Cc2cccc(OC)n2)C1 ZINC001567724093 1064378812 /nfs/dbraw/zinc/37/88/12/1064378812.db2.gz RYQPAROPYZEUNV-OAHLLOKOSA-N 0 3 317.433 2.337 20 30 DEEDHN CN(Cc1ccccn1)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001567727057 1064381518 /nfs/dbraw/zinc/38/15/18/1064381518.db2.gz ARAYUNLTKYWOGI-MRXNPFEDSA-N 0 3 313.445 2.411 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(C)[C@H](C)C(=O)NCCC)CC1 ZINC001567744270 1064398687 /nfs/dbraw/zinc/39/86/87/1064398687.db2.gz GNNQXRINSZMHNP-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CN(C)Cc2cnn(C)c2)CC1 ZINC001567746890 1064399113 /nfs/dbraw/zinc/39/91/13/1064399113.db2.gz PNMWQEDLUYDQBU-UHFFFAOYSA-N 0 3 318.465 2.447 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(CCCF)C1)OCC ZINC001567763235 1064408929 /nfs/dbraw/zinc/40/89/29/1064408929.db2.gz NNMXNTFSOJIRDG-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cn(CC)nn2)C1 ZINC001567767313 1064410117 /nfs/dbraw/zinc/41/01/17/1064410117.db2.gz PVBLLFXWXSCHSJ-OAHLLOKOSA-N 0 3 321.469 2.463 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001494709486 1064426155 /nfs/dbraw/zinc/42/61/55/1064426155.db2.gz IQZRLGCXQQYECP-CABCVRRESA-N 0 3 304.438 2.163 20 30 DEEDHN O=C(C#CC1CC1)NCC1CN(CC[C@@H]2CCCC2(F)F)C1 ZINC001567829728 1064446573 /nfs/dbraw/zinc/44/65/73/1064446573.db2.gz VANAOVPPVHKTJF-HNNXBMFYSA-N 0 3 310.388 2.273 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2cccc(Cl)c2F)C1 ZINC001567842751 1064455513 /nfs/dbraw/zinc/45/55/13/1064455513.db2.gz RDGYLUSRRGICHF-UHFFFAOYSA-N 0 3 308.784 2.093 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(Cl)n1C ZINC001567859303 1064465362 /nfs/dbraw/zinc/46/53/62/1064465362.db2.gz SMQYETRKAWCKII-AVGNSLFASA-N 0 3 322.840 2.327 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001494834757 1064498653 /nfs/dbraw/zinc/49/86/53/1064498653.db2.gz RJSANAJTRYZHHS-OAHLLOKOSA-N 0 3 324.428 2.052 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC001494905874 1064564170 /nfs/dbraw/zinc/56/41/70/1064564170.db2.gz RVRLWDWSGQXUDC-UONOGXRCSA-N 0 3 316.392 2.157 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](CC)NCc2cccnc2)cc1 ZINC001567972512 1064570365 /nfs/dbraw/zinc/57/03/65/1064570365.db2.gz SMCRMVKQCWKRRU-SFHVURJKSA-N 0 3 307.397 2.361 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCC(=O)NC(C)(C)C)CC1 ZINC001567975782 1064571695 /nfs/dbraw/zinc/57/16/95/1064571695.db2.gz SJLMHIRHNRVJSJ-OAHLLOKOSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1cc(CNC[C@](C)(NC(=O)C#CC(C)C)C2CC2)sn1 ZINC001568019841 1064599980 /nfs/dbraw/zinc/59/99/80/1064599980.db2.gz JSJFTRDIBXEPNR-KRWDZBQOSA-N 0 3 319.474 2.485 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001568053736 1064622134 /nfs/dbraw/zinc/62/21/34/1064622134.db2.gz PCPKDNVZHVTLKF-CYBMUJFWSA-N 0 3 310.829 2.005 20 30 DEEDHN 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C#CCN(C)[C@H]1CCCN(C(=O)COCc2ccc(C)cc2)C1 ZINC001267103945 1078580639 /nfs/dbraw/zinc/58/06/39/1078580639.db2.gz IXSLGJCUPWSKES-SFHVURJKSA-N 0 3 314.429 2.068 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(C)n(C)n2)[C@@H](CC)C1 ZINC001483612720 1078626519 /nfs/dbraw/zinc/62/65/19/1078626519.db2.gz NIAMROPNXWIKHF-RDJZCZTQSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnc2cnccc2c1 ZINC001570535708 1067992176 /nfs/dbraw/zinc/99/21/76/1067992176.db2.gz DQRCHODRMVGXAE-MRXNPFEDSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C)OCCc2ccccc21 ZINC001640020528 1078637774 /nfs/dbraw/zinc/63/77/74/1078637774.db2.gz WSKSKEGRQJYEOX-LJQANCHMSA-N 0 3 316.445 2.441 20 30 DEEDHN C=CCCCC(=O)NC1CC(CNCc2cnc(C)cn2)C1 ZINC001570570907 1068012295 /nfs/dbraw/zinc/01/22/95/1068012295.db2.gz UIQAAAZGUYHRDO-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c2ccccc2nn1C ZINC001640020191 1078637354 /nfs/dbraw/zinc/63/73/54/1078637354.db2.gz QXSYMWPZIJXLHD-UHFFFAOYSA-N 0 3 300.406 2.153 20 30 DEEDHN C=CCCC(=O)N(C)C1CCC(N[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001570658928 1068060009 /nfs/dbraw/zinc/06/00/09/1068060009.db2.gz QZNGKAJFPSMNFG-LRVUVFPRSA-N 0 3 319.453 2.500 20 30 DEEDHN C=CCN(C)CCN(CC)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001640086096 1078642654 /nfs/dbraw/zinc/64/26/54/1078642654.db2.gz COXUJXXOBMEBPP-UHFFFAOYSA-N 0 3 315.377 2.482 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001570741464 1068104476 /nfs/dbraw/zinc/10/44/76/1068104476.db2.gz CEUJDTQOTPZVPG-VNQPRFMTSA-N 0 3 302.418 2.421 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCO)CC2(C)C)CCCC1 ZINC001570911684 1068158750 /nfs/dbraw/zinc/15/87/50/1068158750.db2.gz LAGQDXCSLYWBQR-OAHLLOKOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3ncccc3C)C[C@H]21 ZINC001570949229 1068164944 /nfs/dbraw/zinc/16/49/44/1068164944.db2.gz TUVQJXZMPYBHOY-PHZGNYQRSA-N 0 3 313.445 2.396 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2cc(C)ncn2)C1 ZINC001571148602 1068186608 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CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001571397796 1068274196 /nfs/dbraw/zinc/27/41/96/1068274196.db2.gz HLBYAENZBSVQAK-NVXWUHKLSA-N 0 3 314.429 2.239 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CSCC#N ZINC001571470405 1068322415 /nfs/dbraw/zinc/32/24/15/1068322415.db2.gz CSEONRFXLSMVME-TZMCWYRMSA-N 0 3 321.421 2.161 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)CC(C2CC2)C2CC2)C1 ZINC001571492334 1068348483 /nfs/dbraw/zinc/34/84/83/1068348483.db2.gz CFZVQNUMOIAJBV-PBHICJAKSA-N 0 3 318.461 2.042 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)COc2ccccc2Cl)C1 ZINC001571492596 1068348700 /nfs/dbraw/zinc/34/87/00/1068348700.db2.gz GQKUBPNUMCDBTA-UONOGXRCSA-N 0 3 320.820 2.321 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2csc(C3CC3)n2)C1 ZINC001571493164 1068352407 /nfs/dbraw/zinc/35/24/07/1068352407.db2.gz NECITUQLLGXFEN-WCQYABFASA-N 0 3 303.431 2.236 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCCN1CCc1cccs1 ZINC001267262245 1078708877 /nfs/dbraw/zinc/70/88/77/1078708877.db2.gz 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CCn1ccnc1C(C#N)C(=O)c1cn(C)nc1-c1ccco1 ZINC001517046963 1068950953 /nfs/dbraw/zinc/95/09/53/1068950953.db2.gz QQAMIWXKFVFWIC-NSHDSACASA-N 0 3 309.329 2.387 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1c(C)n[nH]c1C ZINC001483702460 1078823395 /nfs/dbraw/zinc/82/33/95/1078823395.db2.gz SLUJTOMJNUKZKT-HNNXBMFYSA-N 0 3 304.438 2.116 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001518477424 1069006068 /nfs/dbraw/zinc/00/60/68/1069006068.db2.gz TWWFWJUOPRYXAS-ARFHVFGLSA-N 0 3 314.385 2.135 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC)OCC ZINC001267410523 1078832740 /nfs/dbraw/zinc/83/27/40/1078832740.db2.gz SHAKKBMYJOPIQO-MWDXBVQZSA-N 0 3 324.465 2.068 20 30 DEEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)=O ZINC001483708590 1078835858 /nfs/dbraw/zinc/83/58/58/1078835858.db2.gz XPEMSNDXBARWRX-DLBZAZTESA-N 0 3 323.481 2.158 20 30 DEEDHN CCC#C[C@H](C)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC001644602651 1078851638 /nfs/dbraw/zinc/85/16/38/1078851638.db2.gz AYTNKFIQEIBIDT-KRWDZBQOSA-N 0 3 319.493 2.055 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001574852410 1069277631 /nfs/dbraw/zinc/27/76/31/1069277631.db2.gz SBJSJYAWASPKQF-SECBINFHSA-N 0 3 302.708 2.160 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001540832875 1072431089 /nfs/dbraw/zinc/43/10/89/1072431089.db2.gz ZWTQXFPRIPNKIM-IEBWSBKVSA-N 0 3 316.445 2.267 20 30 DEEDHN COCCCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001671271074 1078902866 /nfs/dbraw/zinc/90/28/66/1078902866.db2.gz WWKKDRPGKJIBIR-GOSISDBHSA-N 0 3 314.429 2.045 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](O)CN[C@H](C)c1ccccc1F ZINC001272504995 1078934701 /nfs/dbraw/zinc/93/47/01/1078934701.db2.gz SDBSTEURJIXYQN-HUUCEWRRSA-N 0 3 320.408 2.147 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1coc(CC)n1)c1ccccc1 ZINC001267521266 1078950832 /nfs/dbraw/zinc/95/08/32/1078950832.db2.gz RJKMMBXTJSRNLU-HNNXBMFYSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCNC1(CNC(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC001483740461 1078973878 /nfs/dbraw/zinc/97/38/78/1078973878.db2.gz HLDDPRDYLPXGDE-UHFFFAOYSA-N 0 3 300.333 2.366 20 30 DEEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cccn1C)CC2 ZINC001272579335 1078978630 /nfs/dbraw/zinc/97/86/30/1078978630.db2.gz YDVWAPKDHNCHGH-INIZCTEOSA-N 0 3 301.434 2.320 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(O)c(C)c3)CC2)C1=O ZINC001272614037 1079014531 /nfs/dbraw/zinc/01/45/31/1079014531.db2.gz SKXQIUUZTFVVID-UHFFFAOYSA-N 0 3 312.413 2.148 20 30 DEEDHN N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618491 1079015845 /nfs/dbraw/zinc/01/58/45/1079015845.db2.gz JLQJBZOWWIDLQF-GOSISDBHSA-N 0 3 313.401 2.120 20 30 DEEDHN N#CCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618491 1079015853 /nfs/dbraw/zinc/01/58/53/1079015853.db2.gz JLQJBZOWWIDLQF-GOSISDBHSA-N 0 3 313.401 2.120 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272636979 1079026068 /nfs/dbraw/zinc/02/60/68/1079026068.db2.gz IJUCQOIXOKZTGO-SFHVURJKSA-N 0 3 316.401 2.154 20 30 DEEDHN C=C(C)CCC(=O)NCCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001351556189 1151572458 /nfs/dbraw/zinc/57/24/58/1151572458.db2.gz JTZNGOOXPQGPIO-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN1CCc1ccccc1F ZINC001481030208 1079089121 /nfs/dbraw/zinc/08/91/21/1079089121.db2.gz CYMWVROQHBBNNN-MRXNPFEDSA-N 0 3 320.408 2.151 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccsn1)NCc1ccc(C#N)s1 ZINC001369258876 1148883725 /nfs/dbraw/zinc/88/37/25/1148883725.db2.gz HGDPTVFJCGYIFV-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H](NCc3cncn3C)[C@@H](C)C2)CCC1 ZINC001649460229 1079129551 /nfs/dbraw/zinc/12/95/51/1079129551.db2.gz AKQOVQVRFNNLJD-HOCLYGCPSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCOCC=C)C1 ZINC001483802085 1079130072 /nfs/dbraw/zinc/13/00/72/1079130072.db2.gz NYURRYWKFJWLMA-MSOLQXFVSA-N 0 3 318.461 2.305 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CCCOCC)C2)C1 ZINC001483829437 1079140864 /nfs/dbraw/zinc/14/08/64/1079140864.db2.gz JCGZERWKNGTSCG-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN Cc1ccc(F)c(CN2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001481083376 1079166006 /nfs/dbraw/zinc/16/60/06/1079166006.db2.gz KJYIGAJIGBJFQN-KBPBESRZSA-N 0 3 303.381 2.232 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CCCn2cccc2)CC1 ZINC001483976191 1079221079 /nfs/dbraw/zinc/22/10/79/1079221079.db2.gz GRLXLXCRBKCYGY-UHFFFAOYSA-N 0 3 301.434 2.262 20 30 DEEDHN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(CCOC2CCC2)CC1 ZINC001483979457 1079222808 /nfs/dbraw/zinc/22/28/08/1079222808.db2.gz WTGADMREUDLAPQ-CRAIPNDOSA-N 0 3 318.461 2.138 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001267614671 1079223502 /nfs/dbraw/zinc/22/35/02/1079223502.db2.gz OTVJDRXJQHWOIO-OAHLLOKOSA-N 0 3 302.443 2.285 20 30 DEEDHN C#CCN(C(=O)c1cnco1)C1CCN(Cc2ccccc2)CC1 ZINC001483986037 1079227255 /nfs/dbraw/zinc/22/72/55/1079227255.db2.gz RSJRTZLCNBMOIB-UHFFFAOYSA-N 0 3 323.396 2.415 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cccnc1OC(C)C ZINC001481153786 1079261426 /nfs/dbraw/zinc/26/14/26/1079261426.db2.gz CWMWUQOKIRLAOW-UHFFFAOYSA-N 0 3 317.433 2.334 20 30 DEEDHN CCc1nc(C)c(CNC[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001484084229 1079294568 /nfs/dbraw/zinc/29/45/68/1079294568.db2.gz WDBJQICGUCTZPO-SJCJKPOMSA-N 0 3 318.421 2.033 20 30 DEEDHN CN1C(=O)CCC[C@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001646881415 1074669043 /nfs/dbraw/zinc/66/90/43/1074669043.db2.gz ZERUGYSMKGCQOB-PWSUYJOCSA-N 0 3 303.387 2.208 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@](C)(CNCc2cnns2)C1 ZINC001484108019 1079307734 /nfs/dbraw/zinc/30/77/34/1079307734.db2.gz MUBPSTIIPYTIAY-CJNGLKHVSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(COC)cs2)CC1 ZINC001484138216 1079318643 /nfs/dbraw/zinc/31/86/43/1079318643.db2.gz SZSMSUBEIJGMIK-UHFFFAOYSA-N 0 3 320.458 2.360 20 30 DEEDHN CS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC001647094660 1074790991 /nfs/dbraw/zinc/79/09/91/1074790991.db2.gz WPEZKNJMEFRUBI-HZPDHXFCSA-N 0 3 317.458 2.390 20 30 DEEDHN Cc1cncc(CN(C)C[C@H]2CCN(C(=O)C#CC(C)C)C2)c1 ZINC001267645802 1079334657 /nfs/dbraw/zinc/33/46/57/1079334657.db2.gz GIVZVRCRDMKPNR-QGZVFWFLSA-N 0 3 313.445 2.330 20 30 DEEDHN Cc1ccn(C[C@H](C)C(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001649268095 1075012609 /nfs/dbraw/zinc/01/26/09/1075012609.db2.gz DOVFRVXOHAFEDQ-JOYOIKCWSA-N 0 3 304.300 2.377 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001565843074 1075195478 /nfs/dbraw/zinc/19/54/78/1075195478.db2.gz DDOZMZZZWHZOAQ-TXEJJXNPSA-N 0 3 301.217 2.203 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)N(C)C ZINC001565966940 1075211538 /nfs/dbraw/zinc/21/15/38/1075211538.db2.gz ZHUPLCMJVZDGLT-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccc(C)cc1Cl ZINC001566061247 1075221795 /nfs/dbraw/zinc/22/17/95/1075221795.db2.gz AVMJIOXYUMBZIH-UHFFFAOYSA-N 0 3 322.836 2.302 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC12CCOCC2 ZINC001566124708 1075233347 /nfs/dbraw/zinc/23/33/47/1075233347.db2.gz FMKVPUKPLIZJBF-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccco2)CC(C)(C)C1 ZINC001566128221 1075233703 /nfs/dbraw/zinc/23/37/03/1075233703.db2.gz OQXMTEZOTNLDRW-HNNXBMFYSA-N 0 3 302.418 2.452 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001566453574 1075248140 /nfs/dbraw/zinc/24/81/40/1075248140.db2.gz PJAYDVRWWFPTAK-HUUCEWRRSA-N 0 3 320.408 2.363 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnn(C2CCCCC2)c1 ZINC001566505889 1075264205 /nfs/dbraw/zinc/26/42/05/1075264205.db2.gz BPRMUCNSGZKGBL-UHFFFAOYSA-N 0 3 316.449 2.463 20 30 DEEDHN CC#CCN(CCCNC(=O)C[C@@H](C)n1cccc1)C1CC1 ZINC001566601926 1075294228 /nfs/dbraw/zinc/29/42/28/1075294228.db2.gz DJPIOQPONKFRQX-MRXNPFEDSA-N 0 3 301.434 2.433 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001566610394 1075296593 /nfs/dbraw/zinc/29/65/93/1075296593.db2.gz CNAJETZGCNAURM-UHFFFAOYSA-N 0 3 318.465 2.408 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2ccccc2CC)C1 ZINC001566679938 1075315348 /nfs/dbraw/zinc/31/53/48/1075315348.db2.gz MSVCVDPPIJQSDS-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCOCc2ccccc2)C1 ZINC001566682284 1075315949 /nfs/dbraw/zinc/31/59/49/1075315949.db2.gz USOJOJKHSIYKIU-QGZVFWFLSA-N 0 3 302.418 2.360 20 30 DEEDHN CCC[C@H](C)CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001566686123 1075317803 /nfs/dbraw/zinc/31/78/03/1075317803.db2.gz PYMMHPYJMOQLGW-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccnn2C)CC1 ZINC001566697442 1075320478 /nfs/dbraw/zinc/32/04/78/1075320478.db2.gz ZBWQCTWZOSIRPZ-UHFFFAOYSA-N 0 3 304.438 2.313 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCF)c1 ZINC001566753367 1075336126 /nfs/dbraw/zinc/33/61/26/1075336126.db2.gz IWAWFUAVNXCHLR-IYBDPMFKSA-N 0 3 320.412 2.108 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCCN(CCc2ccns2)C1 ZINC001566867843 1075366974 /nfs/dbraw/zinc/36/69/74/1075366974.db2.gz BVGRUSDYSNRTEI-OAHLLOKOSA-N 0 3 319.474 2.317 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1cc(C)on1 ZINC001566926237 1075389000 /nfs/dbraw/zinc/38/90/00/1075389000.db2.gz ZDGMRTOVZZCHBW-MRXNPFEDSA-N 0 3 305.422 2.462 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001566928299 1075389193 /nfs/dbraw/zinc/38/91/93/1075389193.db2.gz CXSJMUQMOIPMRO-JKSUJKDBSA-N 0 3 304.438 2.381 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001566929550 1075390416 /nfs/dbraw/zinc/39/04/16/1075390416.db2.gz CZHIJKLDNXVVAG-LJQANCHMSA-N 0 3 308.425 2.422 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001567025091 1075418515 /nfs/dbraw/zinc/41/85/15/1075418515.db2.gz HMWASJKQNCITSM-OAHLLOKOSA-N 0 3 316.445 2.342 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CNCc2cnc(C)o2)C1 ZINC001567119856 1075436557 /nfs/dbraw/zinc/43/65/57/1075436557.db2.gz TXCORJQADQJIIB-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN Cc1cc(C(=O)N(C)CCNCc2cccc(C#N)c2)ns1 ZINC001481225882 1079435958 /nfs/dbraw/zinc/43/59/58/1079435958.db2.gz RVHWIEDHLJRXCN-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001329439712 1148895202 /nfs/dbraw/zinc/89/52/02/1148895202.db2.gz BNCNDPQYZABXLQ-JSGCOSHPSA-N 0 3 322.474 2.340 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)COc2ccccc2OC)C1 ZINC001267777954 1079489547 /nfs/dbraw/zinc/48/95/47/1079489547.db2.gz UAUGGBLZEDEMNF-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCOCC(F)(F)F)C1 ZINC001267787837 1079495682 /nfs/dbraw/zinc/49/56/82/1079495682.db2.gz KSJMWCMLNFHEMG-LBPRGKRZSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc3c(c2)COC3)C1 ZINC001267788820 1079496689 /nfs/dbraw/zinc/49/66/89/1079496689.db2.gz BVDFQTSORDRKBL-GOSISDBHSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CC)N[C@H](C)C(=O)N1CCCCCC1 ZINC001267799421 1079502536 /nfs/dbraw/zinc/50/25/36/1079502536.db2.gz XKWVKYDRRPRGNX-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN CN(C)C[C@H]1CCCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001584797685 1076320972 /nfs/dbraw/zinc/32/09/72/1076320972.db2.gz MISVTQXUVNZQFP-JXMNSVBMSA-N 0 3 318.392 2.351 20 30 DEEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC001588364357 1076443722 /nfs/dbraw/zinc/44/37/22/1076443722.db2.gz BLXRLLJWLJBVTI-MQMHXKEQSA-N 0 3 311.389 2.157 20 30 DEEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001588364357 1076443723 /nfs/dbraw/zinc/44/37/23/1076443723.db2.gz BLXRLLJWLJBVTI-MQMHXKEQSA-N 0 3 311.389 2.157 20 30 DEEDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589134733 1076478377 /nfs/dbraw/zinc/47/83/77/1076478377.db2.gz HECPQFZAGXUFCB-GFCCVEGCSA-N 0 3 311.393 2.023 20 30 DEEDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589134733 1076478379 /nfs/dbraw/zinc/47/83/79/1076478379.db2.gz HECPQFZAGXUFCB-GFCCVEGCSA-N 0 3 311.393 2.023 20 30 DEEDHN CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589134733 1076478382 /nfs/dbraw/zinc/47/83/82/1076478382.db2.gz HECPQFZAGXUFCB-GFCCVEGCSA-N 0 3 311.393 2.023 20 30 DEEDHN CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589134733 1076478386 /nfs/dbraw/zinc/47/83/86/1076478386.db2.gz HECPQFZAGXUFCB-GFCCVEGCSA-N 0 3 311.393 2.023 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccns1)C2 ZINC001484320439 1079536989 /nfs/dbraw/zinc/53/69/89/1079536989.db2.gz ZAAMQHURRNCIFS-ZNMIVQPWSA-N 0 3 317.458 2.416 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cn1cccn1)c1ccccc1CC ZINC001484323087 1079538427 /nfs/dbraw/zinc/53/84/27/1079538427.db2.gz CPTUGSNAPWXZES-KRWDZBQOSA-N 0 3 312.417 2.079 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2cc(C)n(C)n2)C1 ZINC001484338787 1079548102 /nfs/dbraw/zinc/54/81/02/1079548102.db2.gz OSNDSWIVUNLITN-JKSUJKDBSA-N 0 3 318.465 2.411 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)CCCC2CCCC2)C1 ZINC001484450556 1079614772 /nfs/dbraw/zinc/61/47/72/1079614772.db2.gz PCKGASKWAAXJMF-LJQANCHMSA-N 0 3 320.477 2.313 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2CC#CC)OCC ZINC001484460620 1079620680 /nfs/dbraw/zinc/62/06/80/1079620680.db2.gz PUUFXZCDWDARHB-BZSNNMDCSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CCOC)CCC1 ZINC001484465862 1079622380 /nfs/dbraw/zinc/62/23/80/1079622380.db2.gz QOABHHZJVTVMSI-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cnsn1 ZINC001484555524 1079661571 /nfs/dbraw/zinc/66/15/71/1079661571.db2.gz PRRZVHACODYTMX-UHFFFAOYSA-N 0 3 302.403 2.086 20 30 DEEDHN CC#CCNCCN(C)C(=O)C(C)(C)c1cccc(OC)c1 ZINC001481300292 1079681749 /nfs/dbraw/zinc/68/17/49/1079681749.db2.gz RXXZLVLNTJVWDD-UHFFFAOYSA-N 0 3 302.418 2.044 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNC/C=C/Cl)CCOCC1 ZINC001481308910 1079702497 /nfs/dbraw/zinc/70/24/97/1079702497.db2.gz JIPHWOBJVYAUGL-XBXARRHUSA-N 0 3 300.830 2.160 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(s2)CCC3)C1 ZINC001284025439 1079712365 /nfs/dbraw/zinc/71/23/65/1079712365.db2.gz KLUASXDDNOWKDF-TZMCWYRMSA-N 0 3 302.443 2.453 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)CCC1 ZINC001484658495 1079714403 /nfs/dbraw/zinc/71/44/03/1079714403.db2.gz DYNVOBMYWSPFIK-HOTGVXAUSA-N 0 3 306.450 2.089 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CCO1 ZINC001484690040 1079723789 /nfs/dbraw/zinc/72/37/89/1079723789.db2.gz KUGRAEGODXGKTO-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CCO1 ZINC001484692107 1079724658 /nfs/dbraw/zinc/72/46/58/1079724658.db2.gz YKTPOWXOWMLDRL-FCEWJHQRSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@](C)(OC)c2ccccc2)CC1 ZINC001484723296 1079747957 /nfs/dbraw/zinc/74/79/57/1079747957.db2.gz GKSBELZGXVXILZ-PKOBYXMFSA-N 0 3 314.429 2.152 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN([C@@H](CCCC)C(N)=O)CC1 ZINC001484720374 1079757933 /nfs/dbraw/zinc/75/79/33/1079757933.db2.gz NVJWHDZUOZZPRX-CABCVRRESA-N 0 3 323.481 2.213 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(OC)c(OC)c1 ZINC001484766172 1079792044 /nfs/dbraw/zinc/79/20/44/1079792044.db2.gz HRPXEJWMTSQREL-UHFFFAOYSA-N 0 3 318.417 2.121 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1ccc(CC)cc1 ZINC001484766911 1079792866 /nfs/dbraw/zinc/79/28/66/1079792866.db2.gz LUDUIKJPZMEDMF-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001484827191 1079809134 /nfs/dbraw/zinc/80/91/34/1079809134.db2.gz JMVQGHDXFVBNTB-FUHWJXTLSA-N 0 3 324.440 2.089 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001484822294 1079814347 /nfs/dbraw/zinc/81/43/47/1079814347.db2.gz OGFIGDODBMZPLU-HKUYNNGSSA-N 0 3 316.445 2.265 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001481422541 1079821058 /nfs/dbraw/zinc/82/10/58/1079821058.db2.gz JODXYYNGYPEPCC-AEFFLSMTSA-N 0 3 309.413 2.026 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001484853109 1079825508 /nfs/dbraw/zinc/82/55/08/1079825508.db2.gz KOUNWEIXZQIQPW-LJQANCHMSA-N 0 3 322.493 2.415 20 30 DEEDHN COCCCCN1Cc2ccc(CNC(=O)[C@H](C)C#N)cc2C1 ZINC001484873727 1079831484 /nfs/dbraw/zinc/83/14/84/1079831484.db2.gz QKEZRVLLVUXRLJ-CQSZACIVSA-N 0 3 315.417 2.205 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001484933005 1079864040 /nfs/dbraw/zinc/86/40/40/1079864040.db2.gz VMAZAGCQVFBDGR-QWRGUYRKSA-N 0 3 305.344 2.315 20 30 DEEDHN CC(C)C#CC(=O)NCC1(NCc2ccc(F)cn2)CCCC1 ZINC001268035996 1079866294 /nfs/dbraw/zinc/86/62/94/1079866294.db2.gz KDAZHBTVVSSIEF-UHFFFAOYSA-N 0 3 317.408 2.399 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CN(C)CC2(C)C)cc1 ZINC001652492231 1079878495 /nfs/dbraw/zinc/87/84/95/1079878495.db2.gz WAQBGGQFQYYNLK-INIZCTEOSA-N 0 3 302.418 2.250 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2cccc(F)c2F)C[C@@H]1C ZINC001484987794 1079899614 /nfs/dbraw/zinc/89/96/14/1079899614.db2.gz IGVPWMFHWAKMIO-ZFWWWQNUSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001485027788 1079920397 /nfs/dbraw/zinc/92/03/97/1079920397.db2.gz WSZRSFZPOQKYJN-IAGOWNOFSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001481472493 1079925942 /nfs/dbraw/zinc/92/59/42/1079925942.db2.gz PHBREUCWHQTUMA-PKOBYXMFSA-N 0 3 321.509 2.321 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](C)[C@@H]2C)c1 ZINC001653438622 1079928046 /nfs/dbraw/zinc/92/80/46/1079928046.db2.gz VRMDNJUFWSCQLY-KBPBESRZSA-N 0 3 313.401 2.436 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001653441859 1079928428 /nfs/dbraw/zinc/92/84/28/1079928428.db2.gz LUUHWVQSZFGASN-IAGOWNOFSA-N 0 3 302.418 2.208 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1cncc(C)c1 ZINC001485064556 1079942998 /nfs/dbraw/zinc/94/29/98/1079942998.db2.gz ILIBCWWTWKDRFU-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN Cc1cc(CN(C)CC2CCN(C(=O)C#CC(C)C)CC2)on1 ZINC001481513386 1079979329 /nfs/dbraw/zinc/97/93/29/1079979329.db2.gz CSKPLMAXMGPSOA-UHFFFAOYSA-N 0 3 317.433 2.313 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CC(CNCc2cc(OC)no2)C1 ZINC001485106110 1079984874 /nfs/dbraw/zinc/98/48/74/1079984874.db2.gz SMKMNFHTZRAIJA-UHFFFAOYSA-N 0 3 321.421 2.270 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cnnn2CC)C1 ZINC001481525280 1079997362 /nfs/dbraw/zinc/99/73/62/1079997362.db2.gz ODNFXOKWMUKMAB-OAHLLOKOSA-N 0 3 319.453 2.239 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)N(C)C(C)C ZINC001268064418 1080006380 /nfs/dbraw/zinc/00/63/80/1080006380.db2.gz GOLSJDUUVIVVNR-LSDHHAIUSA-N 0 3 311.470 2.035 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1c(C)noc1Cl ZINC001656097218 1080042238 /nfs/dbraw/zinc/04/22/38/1080042238.db2.gz IRTZGFMBPPCWAN-GFCCVEGCSA-N 0 3 311.813 2.288 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001656150762 1080055229 /nfs/dbraw/zinc/05/52/29/1080055229.db2.gz UBSBPOOBSLXKKR-BETUJISGSA-N 0 3 319.453 2.125 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001656153485 1080055988 /nfs/dbraw/zinc/05/59/88/1080055988.db2.gz BHYXAKXYPJOTME-OKILXGFUSA-N 0 3 320.462 2.025 20 30 DEEDHN Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)C#CC(C)C)C2)on1 ZINC001656288348 1080075918 /nfs/dbraw/zinc/07/59/18/1080075918.db2.gz KZUSNWYYPRYAGH-LSDHHAIUSA-N 0 3 303.406 2.017 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)COC(C)C)C2)CC1 ZINC001656393427 1080085425 /nfs/dbraw/zinc/08/54/25/1080085425.db2.gz GTYXMFGBPMGWKR-MRXNPFEDSA-N 0 3 306.450 2.138 20 30 DEEDHN C[C@H](CNC(=O)CSCC#N)N(C)C/C=C/c1ccccc1 ZINC001485275937 1080116403 /nfs/dbraw/zinc/11/64/03/1080116403.db2.gz IQUAWCZGIHPUKD-RZIFZGNASA-N 0 3 317.458 2.393 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001656779451 1080122721 /nfs/dbraw/zinc/12/27/21/1080122721.db2.gz ALSFERFLHVLHFZ-XMTFNYHQSA-N 0 3 320.477 2.284 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CCCCO1)N(C)Cc1ccc(C#N)cc1 ZINC001485295379 1080125463 /nfs/dbraw/zinc/12/54/63/1080125463.db2.gz TWRNCANMWIDDTL-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1cc(C(=O)NCC2CC(NCC#Cc3ccccc3)C2)on1 ZINC001657174143 1080163575 /nfs/dbraw/zinc/16/35/75/1080163575.db2.gz ZMDYUOOWEOPSSX-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCOC2CCOCC2)C1 ZINC001268228711 1080210199 /nfs/dbraw/zinc/21/01/99/1080210199.db2.gz JXWQWIDWMKYXKI-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001268237997 1080219996 /nfs/dbraw/zinc/21/99/96/1080219996.db2.gz TVAGNYNZVNGXKJ-HUUCEWRRSA-N 0 3 320.408 2.315 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001268244190 1080228602 /nfs/dbraw/zinc/22/86/02/1080228602.db2.gz ZBKGSIPNSBHTED-JKSUJKDBSA-N 0 3 320.383 2.482 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C(C)(C)c1ccccc1OC ZINC001268259112 1080238817 /nfs/dbraw/zinc/23/88/17/1080238817.db2.gz JZRIWIAJJOPEBG-UHFFFAOYSA-N 0 3 316.445 2.386 20 30 DEEDHN CCC(CC)CC(=O)N1CC[C@@H]2[C@H](CCN2CC#CCOC)C1 ZINC001268268223 1080245097 /nfs/dbraw/zinc/24/50/97/1080245097.db2.gz QKIBBEQXPGQPLN-QZTJIDSGSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CN(C)c1ccccc1 ZINC001485486139 1080262194 /nfs/dbraw/zinc/26/21/94/1080262194.db2.gz WMRSPNPCGPXDKD-SFHVURJKSA-N 0 3 313.445 2.117 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(CCc2ccnn2C)C1 ZINC001485521309 1080279212 /nfs/dbraw/zinc/27/92/12/1080279212.db2.gz BOUNSZJMDKHXDC-KDOFPFPSSA-N 0 3 318.465 2.001 20 30 DEEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)NC(=O)CC ZINC001481670836 1080281794 /nfs/dbraw/zinc/28/17/94/1080281794.db2.gz LAEOWEXESTTXPL-PMPSAXMXSA-N 0 3 323.481 2.157 20 30 DEEDHN C#CCC1(C(=O)N[C@H](C)C2CN(CCOC)C2)CCCCC1 ZINC001485537909 1080284421 /nfs/dbraw/zinc/28/44/21/1080284421.db2.gz BHAWMDPCLFSUER-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001485539510 1080286926 /nfs/dbraw/zinc/28/69/26/1080286926.db2.gz OQUWUYGMEFSUHJ-INIZCTEOSA-N 0 3 310.441 2.486 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001485532137 1080287732 /nfs/dbraw/zinc/28/77/32/1080287732.db2.gz DGXGYRHWQXQVFL-LBPRGKRZSA-N 0 3 322.811 2.481 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001485533564 1080288751 /nfs/dbraw/zinc/28/87/51/1080288751.db2.gz SELNEUOOQRZKSW-GFCCVEGCSA-N 0 3 318.408 2.307 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)CC1(C)C ZINC001485569906 1080300838 /nfs/dbraw/zinc/30/08/38/1080300838.db2.gz OQDCZMJOUDGKSR-JKSUJKDBSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCCOCC(F)(F)F)C1 ZINC001481691995 1080305343 /nfs/dbraw/zinc/30/53/43/1080305343.db2.gz BUCFJNSERXSHAL-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CCc2csc(C)n2)C(C)(C)C1 ZINC001485578185 1080309726 /nfs/dbraw/zinc/30/97/26/1080309726.db2.gz SFBGGXUEHWHGCD-HNNXBMFYSA-N 0 3 319.474 2.234 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](OC)[C@@H](C)CC)C1 ZINC001485687760 1080369415 /nfs/dbraw/zinc/36/94/15/1080369415.db2.gz NJCPCDQHIVSTCV-DOERSZECSA-N 0 3 302.846 2.284 20 30 DEEDHN C[C@H](CCCNCc1ccc(C#N)cc1F)NC(=O)C1CC1 ZINC001485708412 1080373696 /nfs/dbraw/zinc/37/36/96/1080373696.db2.gz PLOSMLGSLHUDDM-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN COCC#CCN(CCCNC(=O)C[C@H]1CC[C@@H](C)C1)C1CC1 ZINC001660716330 1080384675 /nfs/dbraw/zinc/38/46/75/1080384675.db2.gz SLRDVOWPTGMETI-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1ccc2nonc2c1 ZINC001485734927 1080398499 /nfs/dbraw/zinc/39/84/99/1080398499.db2.gz DXKFCTQGYAAHHD-NSHDSACASA-N 0 3 322.796 2.463 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1 ZINC001485731143 1080405587 /nfs/dbraw/zinc/40/55/87/1080405587.db2.gz QLVCYGCYGUKROM-ZDUSSCGKSA-N 0 3 323.824 2.252 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COCCc2cccc(F)c2)C1 ZINC001660991405 1080424752 /nfs/dbraw/zinc/42/47/52/1080424752.db2.gz KFIFCQCNIFBTTB-KRWDZBQOSA-N 0 3 320.408 2.151 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001481745629 1080428787 /nfs/dbraw/zinc/42/87/87/1080428787.db2.gz UMMMGRIFLXFLOX-SJLPKXTDSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC1 ZINC001661240693 1080462080 /nfs/dbraw/zinc/46/20/80/1080462080.db2.gz NKFHQISKHSCGDX-YESZJQIVSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2nc(C(C)C)no2)C1 ZINC001481772666 1080487437 /nfs/dbraw/zinc/48/74/37/1080487437.db2.gz YWMKGQRVPNNCMI-CQSZACIVSA-N 0 3 320.437 2.234 20 30 DEEDHN CC(C)OCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001661568673 1080495043 /nfs/dbraw/zinc/49/50/43/1080495043.db2.gz FEZVCBOKEJMQSX-HDICACEKSA-N 0 3 314.429 2.090 20 30 DEEDHN CC(C)Oc1ccc(CNCCNC(=O)[C@@H](C)C#N)cc1Cl ZINC001124894781 1080514231 /nfs/dbraw/zinc/51/42/31/1080514231.db2.gz BQYDSYMIDNGUDN-LBPRGKRZSA-N 0 3 323.824 2.493 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)NCc1cc(C)ccc1F ZINC001481809488 1080518916 /nfs/dbraw/zinc/51/89/16/1080518916.db2.gz URAGLGZSHYNEKQ-CRAIPNDOSA-N 0 3 322.424 2.446 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1cn(C)nc1C ZINC001481814936 1080522292 /nfs/dbraw/zinc/52/22/92/1080522292.db2.gz LJDMLOXUDJCLNM-HNNXBMFYSA-N 0 3 306.454 2.315 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1ccc(Cl)nc1 ZINC001481811366 1080524129 /nfs/dbraw/zinc/52/41/29/1080524129.db2.gz QUONMMCGZHOASN-AWEZNQCLSA-N 0 3 305.809 2.133 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCOCC1CC1 ZINC001661976307 1080551019 /nfs/dbraw/zinc/55/10/19/1080551019.db2.gz ANVKZRYTOCQEMN-QZTJIDSGSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCCC(=O)NC1(CNCc2cnc(C)nc2)CCCC1 ZINC001481895211 1080583826 /nfs/dbraw/zinc/58/38/26/1080583826.db2.gz VMKOYNGWTVWTBA-UHFFFAOYSA-N 0 3 314.433 2.107 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnn3c2CCC3)CCCC1 ZINC001481897701 1080590104 /nfs/dbraw/zinc/59/01/04/1080590104.db2.gz KAMZQYLHOHBZBI-UHFFFAOYSA-N 0 3 322.840 2.214 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001662545510 1080614945 /nfs/dbraw/zinc/61/49/45/1080614945.db2.gz QEQMONLNUBVJPW-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cccnc1CNC[C@@](C)(NC(=O)C#CC1CC1)C1CC1 ZINC001481927893 1080616091 /nfs/dbraw/zinc/61/60/91/1080616091.db2.gz APLMVAVZWBUIQK-LJQANCHMSA-N 0 3 311.429 2.178 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001268489268 1080619696 /nfs/dbraw/zinc/61/96/96/1080619696.db2.gz RVLJSTCZZOLGNT-ICSRJNTNSA-N 0 3 310.441 2.352 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cnn(C)c2)CCCC[C@@H]1C ZINC001481954464 1080646455 /nfs/dbraw/zinc/64/64/55/1080646455.db2.gz MJHHRUFEBKIMSA-BLLLJJGKSA-N 0 3 324.856 2.441 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001662754034 1080648710 /nfs/dbraw/zinc/64/87/10/1080648710.db2.gz XQAIDWUHWLEQHN-LSDHHAIUSA-N 0 3 303.406 2.304 20 30 DEEDHN CCc1nocc1CNCC[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001481972683 1080656363 /nfs/dbraw/zinc/65/63/63/1080656363.db2.gz MRABQVMWGYPYPN-UONOGXRCSA-N 0 3 318.421 2.115 20 30 DEEDHN CC[C@H](C(=O)NC/C=C\CNc1cccc(F)c1C#N)N(C)C ZINC001107275226 1080702662 /nfs/dbraw/zinc/70/26/62/1080702662.db2.gz QVMWMZPEADMAMZ-OGZRUICASA-N 0 3 318.396 2.122 20 30 DEEDHN CCC(C)(C)C(=O)N1CCC2(CCN(CC#CCOC)C2)CC1 ZINC001482069966 1080776634 /nfs/dbraw/zinc/77/66/34/1080776634.db2.gz IXYSYTOMTXVQQD-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(NC(C)=O)ccc1C ZINC001663696297 1080804251 /nfs/dbraw/zinc/80/42/51/1080804251.db2.gz OTJBANDMQZBKSB-UHFFFAOYSA-N 0 3 315.417 2.028 20 30 DEEDHN C=CCN(CCNC(=O)[C@]1(C)CCOc2ccccc21)C1CC1 ZINC001663769491 1080813679 /nfs/dbraw/zinc/81/36/79/1080813679.db2.gz SOWMZZJBMRMJSA-LJQANCHMSA-N 0 3 314.429 2.493 20 30 DEEDHN C=CCCC(=O)N(C)CCNCC(=O)NC1CCCCCCC1 ZINC001663846642 1080825919 /nfs/dbraw/zinc/82/59/19/1080825919.db2.gz FTYBZASIHOOBPM-UHFFFAOYSA-N 0 3 323.481 2.230 20 30 DEEDHN C#Cc1cncc(C(=O)NC/C=C\CNCc2ccc(F)cc2)c1 ZINC001268592706 1080838734 /nfs/dbraw/zinc/83/87/34/1080838734.db2.gz YBXJUROJYLGTPR-ARJAWSKDSA-N 0 3 323.371 2.278 20 30 DEEDHN C=CCOCC(=O)N1CCC([C@H](C)NCc2nccs2)CC1 ZINC001664430604 1080908598 /nfs/dbraw/zinc/90/85/98/1080908598.db2.gz JRBVACMBGYYKIU-ZDUSSCGKSA-N 0 3 323.462 2.062 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H](C)C1CC1 ZINC001268643141 1080911958 /nfs/dbraw/zinc/91/19/58/1080911958.db2.gz XKWWYZQFZRULAJ-KGLIPLIRSA-N 0 3 302.393 2.318 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)c1ccns1 ZINC001268647901 1080916498 /nfs/dbraw/zinc/91/64/98/1080916498.db2.gz LIMWVFSFUSRHBR-GFCCVEGCSA-N 0 3 317.389 2.042 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1nn(C)cc1Cl)c1ccccc1 ZINC001664577774 1080928061 /nfs/dbraw/zinc/92/80/61/1080928061.db2.gz DVDASRNQNFPFFI-CQSZACIVSA-N 0 3 318.808 2.320 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCc2cnccn2)C1 ZINC001664685574 1080942041 /nfs/dbraw/zinc/94/20/41/1080942041.db2.gz CUGPYFAGCNUOAL-QGZVFWFLSA-N 0 3 316.449 2.298 20 30 DEEDHN CCc1cccc(CN(C)C[C@H](C)NC(=O)CSCC#N)c1 ZINC001268721459 1080950149 /nfs/dbraw/zinc/95/01/49/1080950149.db2.gz CIZCZJLWCYGTKU-AWEZNQCLSA-N 0 3 319.474 2.442 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001268736970 1080959849 /nfs/dbraw/zinc/95/98/49/1080959849.db2.gz HTMXQEZRGBJWSP-OCCSQVGLSA-N 0 3 306.381 2.314 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1nc(Cl)cs1 ZINC001268742176 1080961585 /nfs/dbraw/zinc/96/15/85/1080961585.db2.gz DVCAQPBNXSGLMV-SNVBAGLBSA-N 0 3 317.842 2.049 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC001268741332 1080965436 /nfs/dbraw/zinc/96/54/36/1080965436.db2.gz PXYKTFFEJZMFNI-SNVBAGLBSA-N 0 3 306.435 2.179 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1coc(=O)c2ccccc12 ZINC001268741798 1080965454 /nfs/dbraw/zinc/96/54/54/1080965454.db2.gz YMNIAMRZYFUTJD-LBPRGKRZSA-N 0 3 300.358 2.029 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C[C@@H](F)CC)C2)cn1 ZINC001664849896 1080971304 /nfs/dbraw/zinc/97/13/04/1080971304.db2.gz VDYSPYDXCRKRAM-HOCLYGCPSA-N 0 3 317.408 2.205 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nc1 ZINC001268955691 1081057902 /nfs/dbraw/zinc/05/79/02/1081057902.db2.gz JXRFCYUYHORBGE-BPUTZDHNSA-N 0 3 315.417 2.344 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C ZINC001268974373 1081070139 /nfs/dbraw/zinc/07/01/39/1081070139.db2.gz SOKNSNZQMUQPIQ-KBMXLJTQSA-N 0 3 316.449 2.465 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CCN(CCn2cccn2)C1 ZINC001665726391 1081071875 /nfs/dbraw/zinc/07/18/75/1081071875.db2.gz OYQXHQUKUWAJRI-IRXDYDNUSA-N 0 3 318.465 2.408 20 30 DEEDHN C=CCCCS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001666089350 1081121919 /nfs/dbraw/zinc/12/19/19/1081121919.db2.gz JJJOLZKHZUPPKX-HOTGVXAUSA-N 0 3 314.495 2.477 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C(C)(C)CCC ZINC001666453928 1081153345 /nfs/dbraw/zinc/15/33/45/1081153345.db2.gz HAWDXOASVJPVQF-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001269203491 1081162851 /nfs/dbraw/zinc/16/28/51/1081162851.db2.gz SINPQUBVAMXECQ-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)OCc2ccccc2)C1 ZINC001269257663 1081186072 /nfs/dbraw/zinc/18/60/72/1081186072.db2.gz UMMMGRIFLXFLOX-FUHWJXTLSA-N 0 3 314.429 2.148 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCCC[C@H]1C ZINC001666914733 1081193152 /nfs/dbraw/zinc/19/31/52/1081193152.db2.gz WZCYGDGSTASSJW-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC1(C)CCCCC1 ZINC001666948482 1081196372 /nfs/dbraw/zinc/19/63/72/1081196372.db2.gz VOMLPUHKHGYIJS-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccco2)C1 ZINC001269281821 1081196842 /nfs/dbraw/zinc/19/68/42/1081196842.db2.gz UWAQWEIOQDWGKC-CVEARBPZSA-N 0 3 320.433 2.194 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cnns2)C1 ZINC001667319668 1081236783 /nfs/dbraw/zinc/23/67/83/1081236783.db2.gz LILBCTGIHNFWTQ-CHWSQXEVSA-N 0 3 308.451 2.221 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2cccc(Cl)c2C)CC1 ZINC001269415259 1081242833 /nfs/dbraw/zinc/24/28/33/1081242833.db2.gz BHVDFBBLWOZMJW-UHFFFAOYSA-N 0 3 320.820 2.150 20 30 DEEDHN CCC(CC)C(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001279120726 1081252568 /nfs/dbraw/zinc/25/25/68/1081252568.db2.gz YTMXEARUYRIETH-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN Cc1ncoc1CN1CC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@H]21 ZINC001667686531 1081274021 /nfs/dbraw/zinc/27/40/21/1081274021.db2.gz GHLKYTBASJTRDL-HZPDHXFCSA-N 0 3 315.417 2.065 20 30 DEEDHN C#CCNC1(CNC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC001269530566 1081280371 /nfs/dbraw/zinc/28/03/71/1081280371.db2.gz OZRPQNSAWZKORD-UHFFFAOYSA-N 0 3 302.805 2.243 20 30 DEEDHN CC#CCNC1(CNC(=O)C(C)(C)c2ccc(OC)cc2)CC1 ZINC001269540416 1081285057 /nfs/dbraw/zinc/28/50/57/1081285057.db2.gz AMBHQBSKIZTENI-UHFFFAOYSA-N 0 3 314.429 2.235 20 30 DEEDHN C=CCCC(=O)NC[C@@H](O)CN[C@H](C)c1ccccc1Cl ZINC001667796240 1081289961 /nfs/dbraw/zinc/28/99/61/1081289961.db2.gz RLNYIERCIWHIJP-OLZOCXBDSA-N 0 3 310.825 2.434 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001269778326 1081365220 /nfs/dbraw/zinc/36/52/20/1081365220.db2.gz QLVNTVOMULPMHC-CYBMUJFWSA-N 0 3 310.829 2.303 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H]1CC12CC2 ZINC001668565969 1081369027 /nfs/dbraw/zinc/36/90/27/1081369027.db2.gz APBDFULEXWCXNB-OAHLLOKOSA-N 0 3 315.392 2.436 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C#CC(C)(C)C)CC2 ZINC001482244269 1081371874 /nfs/dbraw/zinc/37/18/74/1081371874.db2.gz POSGDVOWGYAKPS-UHFFFAOYSA-N 0 3 318.461 2.163 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001668635988 1081375251 /nfs/dbraw/zinc/37/52/51/1081375251.db2.gz HSZKPTQLTMHGGS-MRXNPFEDSA-N 0 3 302.418 2.224 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C/CNCc1ccc(F)c(F)c1 ZINC001668797689 1081398418 /nfs/dbraw/zinc/39/84/18/1081398418.db2.gz GLDOEADYSRJDQJ-BDUNBXCCSA-N 0 3 324.371 2.054 20 30 DEEDHN O=C(C#CC1CC1)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001668815327 1081401410 /nfs/dbraw/zinc/40/14/10/1081401410.db2.gz LWUNJIJPVIELNH-ZMXQLYDGSA-N 0 3 312.388 2.488 20 30 DEEDHN C#CCNC/C=C\CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001668888435 1081408022 /nfs/dbraw/zinc/40/80/22/1081408022.db2.gz XYQUDEKQATUCEA-QLQVPFRHSA-N 0 3 302.340 2.250 20 30 DEEDHN CCCc1ccc(C(=O)NC/C=C\CNCC#CCOC)cc1 ZINC001669007931 1081417680 /nfs/dbraw/zinc/41/76/80/1081417680.db2.gz CJRJJQZXHFGJAT-PLNGDYQASA-N 0 3 314.429 2.165 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]1CNCc1c(C)nsc1C ZINC001270022479 1081430019 /nfs/dbraw/zinc/43/00/19/1081430019.db2.gz OEFBSQULZUVREQ-CQSZACIVSA-N 0 3 323.462 2.043 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)C2CC(C)(C)C2)CC1 ZINC001270110765 1081453187 /nfs/dbraw/zinc/45/31/87/1081453187.db2.gz ADJQCSWOOOLQAB-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@@H](C)c2n[nH]c(C)n2)CCCC1 ZINC001669490185 1081453443 /nfs/dbraw/zinc/45/34/43/1081453443.db2.gz WFHWZYKNAVQBGN-OLZOCXBDSA-N 0 3 319.453 2.405 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccnc1C(F)(F)F ZINC001669887248 1081477144 /nfs/dbraw/zinc/47/71/44/1081477144.db2.gz DHMYNWIUDBUXOL-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)Cc2sc(C)nc2C)CC1 ZINC001270243727 1081483651 /nfs/dbraw/zinc/48/36/51/1081483651.db2.gz XEOSTZBLPPSBRY-UHFFFAOYSA-N 0 3 307.463 2.459 20 30 DEEDHN C#CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)C1CCN(CCOC)CC1 ZINC001270358586 1081508748 /nfs/dbraw/zinc/50/87/48/1081508748.db2.gz LFFFUYDQYAALEL-PKOBYXMFSA-N 0 3 320.477 2.241 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1CCN(CCO)CC1 ZINC001671496797 1081520310 /nfs/dbraw/zinc/52/03/10/1081520310.db2.gz GRJBXCZZBFQTHS-JKSUJKDBSA-N 0 3 322.493 2.223 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(CCOCC2CC2)C1 ZINC001671643376 1081528116 /nfs/dbraw/zinc/52/81/16/1081528116.db2.gz HMXNWVRJAVJBGT-SFHVURJKSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001671908215 1081548990 /nfs/dbraw/zinc/54/89/90/1081548990.db2.gz PXXXMHMVYXTMFA-QGZVFWFLSA-N 0 3 303.406 2.114 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)CCOC)C1 ZINC001671912610 1081549330 /nfs/dbraw/zinc/54/93/30/1081549330.db2.gz PEAYMZNTTWOVRL-SFHVURJKSA-N 0 3 308.466 2.291 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NCc2cnns2)C1 ZINC001672227747 1081569032 /nfs/dbraw/zinc/56/90/32/1081569032.db2.gz ILMFYEKYPCRJPM-CHWSQXEVSA-N 0 3 322.478 2.467 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CCF ZINC001672343570 1081587785 /nfs/dbraw/zinc/58/77/85/1081587785.db2.gz SOXOZKOUNBHLRW-LVQVYYBASA-N 0 3 312.429 2.296 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001672397089 1081593147 /nfs/dbraw/zinc/59/31/47/1081593147.db2.gz YXGAECPHKBPSKU-IAGOWNOFSA-N 0 3 302.393 2.376 20 30 DEEDHN Cc1ncoc1CNC[C@@]1(C)CCN(C(=O)C#CC(C)(C)C)C1 ZINC001270718458 1081614447 /nfs/dbraw/zinc/61/44/47/1081614447.db2.gz OKVAEARBAMEQJP-GOSISDBHSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](OCC)C2CC2)C1 ZINC001672795570 1081626990 /nfs/dbraw/zinc/62/69/90/1081626990.db2.gz DYBJGFPRGLUXSZ-ZFWWWQNUSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2ccc(OC)nc2)CCC1 ZINC001673199000 1081745853 /nfs/dbraw/zinc/74/58/53/1081745853.db2.gz PKQCWQNPBSDHNG-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN CC#CCNC1(CNC(=O)CO[C@@H]2CCC[C@@H](C)C2)CCC1 ZINC001673217911 1081747220 /nfs/dbraw/zinc/74/72/20/1081747220.db2.gz GCQSKKGDZBIATO-HZPDHXFCSA-N 0 3 306.450 2.234 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@@H](CNC[C@H](F)CC)C2)CCC1 ZINC001673310657 1081754036 /nfs/dbraw/zinc/75/40/36/1081754036.db2.gz MZFAPRCCLZSNEA-CABCVRRESA-N 0 3 312.429 2.298 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N2CCN(CCC)CC2)C1 ZINC001673352459 1081756815 /nfs/dbraw/zinc/75/68/15/1081756815.db2.gz MFBDYWVZTNXPKV-IRXDYDNUSA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1 ZINC001673407614 1081769204 /nfs/dbraw/zinc/76/92/04/1081769204.db2.gz UMTGTELUFCSFBK-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)c2cocc2C)CC1 ZINC001270899630 1081819691 /nfs/dbraw/zinc/81/96/91/1081819691.db2.gz TWRWZELHAPCYJY-UHFFFAOYSA-N 0 3 318.417 2.070 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2cc(C)on2)C(C)(C)C1 ZINC001674028583 1081828162 /nfs/dbraw/zinc/82/81/62/1081828162.db2.gz HSQTYPCUNIILFO-MRXNPFEDSA-N 0 3 317.433 2.156 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c[nH]nc1-c1ccco1 ZINC001626755429 1081829305 /nfs/dbraw/zinc/82/93/05/1081829305.db2.gz 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ZINC001271192563 1081984522 /nfs/dbraw/zinc/98/45/22/1081984522.db2.gz NINUQHPUTRYEOM-IBGZPJMESA-N 0 3 320.477 2.332 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001271200764 1081989300 /nfs/dbraw/zinc/98/93/00/1081989300.db2.gz KLNUEJZHQDIJDK-VQIMIIECSA-N 0 3 316.445 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCCCCF)C2)nc1 ZINC001266353519 1081993644 /nfs/dbraw/zinc/99/36/44/1081993644.db2.gz WSCRUGHBMUNLRJ-OAHLLOKOSA-N 0 3 303.381 2.007 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001266353644 1081993848 /nfs/dbraw/zinc/99/38/48/1081993848.db2.gz ZHBCLICEKFIFHN-DOTOQJQBSA-N 0 3 302.418 2.183 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CC1(COC)CC1 ZINC001282665488 1082015453 /nfs/dbraw/zinc/01/54/53/1082015453.db2.gz FAIYNBBQGMOOAN-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN Cc1ncc(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]2C)o1 ZINC001271394304 1082028187 /nfs/dbraw/zinc/02/81/87/1082028187.db2.gz IPVXBKDMKXVALM-XJKSGUPXSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)OCc1ccccc1 ZINC001266482394 1082067038 /nfs/dbraw/zinc/06/70/38/1082067038.db2.gz AVFWRBOXLHSWFU-SJLPKXTDSA-N 0 3 314.429 2.196 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C1CC1 ZINC001266486535 1082069061 /nfs/dbraw/zinc/06/90/61/1082069061.db2.gz OUEHFFCNVIISOL-BBWFWOEESA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001266540769 1082136506 /nfs/dbraw/zinc/13/65/06/1082136506.db2.gz IPZRDDIENZJQHK-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001266544872 1082140160 /nfs/dbraw/zinc/14/01/60/1082140160.db2.gz KIBSIUMXFHZOKD-LBPRGKRZSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCCOc2cccc(F)c2)C1 ZINC001266549442 1082144442 /nfs/dbraw/zinc/14/44/42/1082144442.db2.gz VTSYHTYLCIHQBW-HNNXBMFYSA-N 0 3 318.392 2.056 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1nocc1C ZINC001271819964 1082164505 /nfs/dbraw/zinc/16/45/05/1082164505.db2.gz 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/nfs/dbraw/zinc/27/01/42/1082270142.db2.gz DRXGLGIPJSBGGP-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN Cc1cc(CNCCN(C)C(=O)c2ccc(C#N)[nH]2)cs1 ZINC001266678110 1082276148 /nfs/dbraw/zinc/27/61/48/1082276148.db2.gz WHXIEXSAYAOYHE-UHFFFAOYSA-N 0 3 302.403 2.118 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001266755189 1082324303 /nfs/dbraw/zinc/32/43/03/1082324303.db2.gz MJQRPDNWJWQMOE-QGZVFWFLSA-N 0 3 314.429 2.008 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCCOCC ZINC001272054121 1082342202 /nfs/dbraw/zinc/34/22/02/1082342202.db2.gz RZJLSSUGJJMODB-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN CC(C)OCCN1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266842281 1082385426 /nfs/dbraw/zinc/38/54/26/1082385426.db2.gz KHWVFDMQAAWEGR-INIZCTEOSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C(=O)Nc1c(C)cccc1C ZINC001482653750 1082435601 /nfs/dbraw/zinc/43/56/01/1082435601.db2.gz QXTBKGWHGISVSU-UHFFFAOYSA-N 0 3 317.433 2.208 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)C[C@H]2CC(C)(C)CO2)cc1 ZINC001480901248 1082451009 /nfs/dbraw/zinc/45/10/09/1082451009.db2.gz ZEJHWBOTHUPNQJ-QGZVFWFLSA-N 0 3 314.429 2.145 20 30 DEEDHN COc1c(F)cc(CN[C@H](C)CNC(=O)C#CC(C)C)cc1F ZINC001266935387 1082463073 /nfs/dbraw/zinc/46/30/73/1082463073.db2.gz KFKFDXBGNCIPKD-GFCCVEGCSA-N 0 3 324.371 2.227 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@H](CC)Oc1ccccc1F ZINC001266980014 1082486086 /nfs/dbraw/zinc/48/60/86/1082486086.db2.gz OPKZYXFJXAAQFF-HNNXBMFYSA-N 0 3 306.381 2.054 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1c(C)noc1Cl ZINC001482881719 1082544150 /nfs/dbraw/zinc/54/41/50/1082544150.db2.gz OXISSUZYIHVEFE-VIFPVBQESA-N 0 3 320.220 2.416 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1sc(CC2CC2)nc1C ZINC001483076299 1082692958 /nfs/dbraw/zinc/69/29/58/1082692958.db2.gz DTTVSAFVULSKEF-AATRIKPKSA-N 0 3 317.458 2.303 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)c2ncccc2F)c1 ZINC001483078378 1082694044 /nfs/dbraw/zinc/69/40/44/1082694044.db2.gz PZORMBZCFGBQLM-UPHRSURJSA-N 0 3 324.359 2.168 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001483101122 1082708677 /nfs/dbraw/zinc/70/86/77/1082708677.db2.gz UYJFREGPDNEZEF-LLYBFZRZSA-N 0 3 302.393 2.290 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001409305387 1082755408 /nfs/dbraw/zinc/75/54/08/1082755408.db2.gz XZRPUVJUKSMLAA-ZOODHJKOSA-N 0 3 324.856 2.151 20 30 DEEDHN Cc1coc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)c1 ZINC001483158099 1082782019 /nfs/dbraw/zinc/78/20/19/1082782019.db2.gz HTZYTQQBUMOVEN-LLVKDONJSA-N 0 3 303.387 2.429 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNCc1cc(C)ns1 ZINC001483175445 1082790875 /nfs/dbraw/zinc/79/08/75/1082790875.db2.gz WBRXJUAPMSWMPL-SNPRPXQTSA-N 0 3 323.462 2.027 20 30 DEEDHN COC[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001483214833 1082814664 /nfs/dbraw/zinc/81/46/64/1082814664.db2.gz REUDGRSYSVMWER-KGLIPLIRSA-N 0 3 322.836 2.068 20 30 DEEDHN N#CCSCC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001280469270 1082914671 /nfs/dbraw/zinc/91/46/71/1082914671.db2.gz VRMCIDYECYQBIU-UHFFFAOYSA-N 0 3 321.421 2.211 20 30 DEEDHN C[C@@H](CNC(=O)C[C@H]1CCCO1)N(C)Cc1ccc(C#N)cc1 ZINC001409504810 1082926389 /nfs/dbraw/zinc/92/63/89/1082926389.db2.gz ABEZWQPMMLKAFE-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC1(F)F ZINC001483238263 1083033122 /nfs/dbraw/zinc/03/31/22/1083033122.db2.gz FLNBLDSGCDRIAP-SWLSCSKDSA-N 0 3 324.346 2.317 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001077614529 1083467661 /nfs/dbraw/zinc/46/76/61/1083467661.db2.gz JORODOJRKJGTJW-APHBMKBZSA-N 0 3 322.836 2.181 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCOCC(F)F)C(C)(C)C1 ZINC001276586940 1083501516 /nfs/dbraw/zinc/50/15/16/1083501516.db2.gz RYIXMZLJOAKMBQ-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001276650646 1083535047 /nfs/dbraw/zinc/53/50/47/1083535047.db2.gz JQTUMXPRIWNTNG-NNZMDNLPSA-N 0 3 309.413 2.318 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001276661176 1083537089 /nfs/dbraw/zinc/53/70/89/1083537089.db2.gz MBCRFHPGZKOCTE-NNZMDNLPSA-N 0 3 311.429 2.069 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001281184672 1083543863 /nfs/dbraw/zinc/54/38/63/1083543863.db2.gz MZHULKIVGMXZDY-SJLPKXTDSA-N 0 3 308.466 2.025 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccncc3OC)C2)C1=O ZINC001272749326 1083685655 /nfs/dbraw/zinc/68/56/55/1083685655.db2.gz LLDRAATVOWJLJV-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C#CCCCN1CCc2nc(C(=O)NC3(C#N)CCC3)ccc2C1 ZINC001276979820 1083714739 /nfs/dbraw/zinc/71/47/39/1083714739.db2.gz NSLSCTIIJUEGEM-UHFFFAOYSA-N 0 3 322.412 2.029 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCCC(F)(F)F)[C@@H]2C1 ZINC001330340472 1083743145 /nfs/dbraw/zinc/74/31/45/1083743145.db2.gz RHAYSCLGLXBTBV-XYYAHUGASA-N 0 3 302.340 2.036 20 30 DEEDHN C=CCCCCCN1CC[C@H]2C[C@]21C(=O)NCc1ccnn1C ZINC001277152571 1083812128 /nfs/dbraw/zinc/81/21/28/1083812128.db2.gz RPZFGNLGCSRHAI-MAUKXSAKSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCNC(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001277174101 1083829214 /nfs/dbraw/zinc/82/92/14/1083829214.db2.gz UXTOIRDNDXAUOJ-KRWDZBQOSA-N 0 3 302.422 2.198 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ncccc3OC)C2)C1=O ZINC001272752624 1083844444 /nfs/dbraw/zinc/84/44/44/1083844444.db2.gz WCMWEVMNPXHNIW-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)COC(C)C)C1 ZINC001277285303 1083894589 /nfs/dbraw/zinc/89/45/89/1083894589.db2.gz OCZKTKFXYADJGM-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN COc1ccc(C)cc1CN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001074567856 1083930985 /nfs/dbraw/zinc/93/09/85/1083930985.db2.gz AJLQISUNKVNWCU-YCPHGPKFSA-N 0 3 315.417 2.242 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001099339347 1083946477 /nfs/dbraw/zinc/94/64/77/1083946477.db2.gz HFQKCBJMEKMSBB-HNNXBMFYSA-N 0 3 318.465 2.362 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C)CC(=O)NCC(C)C)CC1 ZINC001277402889 1083952155 /nfs/dbraw/zinc/95/21/55/1083952155.db2.gz BYSBCSGTHKBXJM-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCOCC(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001277448288 1083975187 /nfs/dbraw/zinc/97/51/87/1083975187.db2.gz YJSTWHYFJLDOQQ-YVMONPNESA-N 0 3 300.830 2.254 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](CCC)OC)C2)CC1 ZINC001277490147 1084000007 /nfs/dbraw/zinc/00/00/07/1084000007.db2.gz ORVXSAROBSQWNA-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001491135152 1084105496 /nfs/dbraw/zinc/10/54/96/1084105496.db2.gz WGTMZMCUVHUDMN-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001491141145 1084109689 /nfs/dbraw/zinc/10/96/89/1084109689.db2.gz DQTJSUWPNJGYLL-HNNXBMFYSA-N 0 3 302.422 2.079 20 30 DEEDHN COCC(=O)N[C@@H](C)CCCCNCc1cc(F)ccc1C#N ZINC001168598542 1084125902 /nfs/dbraw/zinc/12/59/02/1084125902.db2.gz AZFIOYDCCAWMQT-ZDUSSCGKSA-N 0 3 321.396 2.108 20 30 DEEDHN CC(C)OCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001277767731 1084138795 /nfs/dbraw/zinc/13/87/95/1084138795.db2.gz XXZVKEWTHDEKEU-HNNXBMFYSA-N 0 3 320.408 2.039 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC)CC(F)F)[C@H](OC)C1 ZINC001212401176 1084205324 /nfs/dbraw/zinc/20/53/24/1084205324.db2.gz HRAAINOOFZNCDY-YNEHKIRRSA-N 0 3 304.381 2.059 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](CC)CC(F)F)[C@H](OC)C1 ZINC001212401794 1084206354 /nfs/dbraw/zinc/20/63/54/1084206354.db2.gz ZAKZYAOAZZYOGA-MGPQQGTHSA-N 0 3 318.408 2.449 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001277894383 1084211043 /nfs/dbraw/zinc/21/10/43/1084211043.db2.gz ZJHHAFWJENCFKB-DLBZAZTESA-N 0 3 316.445 2.360 20 30 DEEDHN CCCSCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491404853 1084283395 /nfs/dbraw/zinc/28/33/95/1084283395.db2.gz USZLNNGAYYHNTJ-LBPRGKRZSA-N 0 3 323.437 2.435 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001277939315 1084402794 /nfs/dbraw/zinc/40/27/94/1084402794.db2.gz ZKXNALQAASOHFR-HUUCEWRRSA-N 0 3 304.409 2.464 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1c(CC)noc1CC ZINC001235422655 1084425710 /nfs/dbraw/zinc/42/57/10/1084425710.db2.gz OGXYXXFVWYCHQJ-CQSZACIVSA-N 0 3 319.449 2.451 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001077986250 1084455212 /nfs/dbraw/zinc/45/52/12/1084455212.db2.gz UQHRRLNOABKHPC-CHWSQXEVSA-N 0 3 323.462 2.008 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)cc1 ZINC001272918147 1084474452 /nfs/dbraw/zinc/47/44/52/1084474452.db2.gz FAKXNBRGIOLPCB-IBGZPJMESA-N 0 3 312.413 2.285 20 30 DEEDHN C#CCN1CCN([C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168661928 1084491690 /nfs/dbraw/zinc/49/16/90/1084491690.db2.gz BYFAGWSNZUZBPI-MJGOQNOKSA-N 0 3 314.429 2.166 20 30 DEEDHN CC(=O)N[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC001078515808 1084711183 /nfs/dbraw/zinc/71/11/83/1084711183.db2.gz GKJXNKZVGKEKOR-HZPDHXFCSA-N 0 3 301.365 2.234 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)C12CCC2 ZINC001078738838 1084853384 /nfs/dbraw/zinc/85/33/84/1084853384.db2.gz JDOOPRRBCIMOMX-NEPJUHHUSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C12CCC2 ZINC001078816544 1084909060 /nfs/dbraw/zinc/90/90/60/1084909060.db2.gz OCEDMFFHMSFTLL-KGLIPLIRSA-N 0 3 307.825 2.327 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccn(C)c1)NCc1ccc(C#N)s1 ZINC001485868508 1084941589 /nfs/dbraw/zinc/94/15/89/1084941589.db2.gz URGCADRGWYNXGK-LBPRGKRZSA-N 0 3 316.430 2.209 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001485901970 1084970404 /nfs/dbraw/zinc/97/04/04/1084970404.db2.gz PBHAKWVVAIQUEF-DYVFJYSZSA-N 0 3 302.393 2.315 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)N[C@@H](CCCC)C(N)=O)CC1 ZINC001485918792 1084984051 /nfs/dbraw/zinc/98/40/51/1084984051.db2.gz IARHXLDUQREMSW-ZBFHGGJFSA-N 0 3 323.481 2.213 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)N[C@@H]1CCCc2ccccc21 ZINC001485980128 1085020118 /nfs/dbraw/zinc/02/01/18/1085020118.db2.gz RMFXGGPFDQPPGC-DOTOQJQBSA-N 0 3 302.418 2.097 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](CO)N[C@H](C)c1cc(C)ccc1C ZINC001485991518 1085026339 /nfs/dbraw/zinc/02/63/39/1085026339.db2.gz SJKMYXCIBBABHP-SJORKVTESA-N 0 3 316.445 2.235 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)NCCC(C)(C)C)[C@@H]1C ZINC001486073940 1085059598 /nfs/dbraw/zinc/05/95/98/1085059598.db2.gz LDRAUDOPZAPUPX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001486114470 1085072468 /nfs/dbraw/zinc/07/24/68/1085072468.db2.gz NWJLVLLZUCZPIN-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2oc(CCC)nc2C)C1 ZINC001486125861 1085075749 /nfs/dbraw/zinc/07/57/49/1085075749.db2.gz BBVISXYBOSDYTA-TZMCWYRMSA-N 0 3 303.406 2.151 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H]1C ZINC001486169231 1085103100 /nfs/dbraw/zinc/10/31/00/1085103100.db2.gz GGSZJYUSXZIJQL-GOEBONIOSA-N 0 3 305.422 2.108 20 30 DEEDHN COCCN1CCC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001486186990 1085116485 /nfs/dbraw/zinc/11/64/85/1085116485.db2.gz RHVUPUVHOIDYFW-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN Cc1cnc(CNC[C@H]2CC[C@H](NC(=O)C#CC3CC3)C2)s1 ZINC001486200149 1085127227 /nfs/dbraw/zinc/12/72/27/1085127227.db2.gz HRSHWJNHJLXFMH-GJZGRUSLSA-N 0 3 317.458 2.239 20 30 DEEDHN Cc1ccncc1CN[C@H]1CN(C(=O)C#CC(C)C)CC1(C)C ZINC001486231610 1085140140 /nfs/dbraw/zinc/14/01/40/1085140140.db2.gz NNKSRAUHRXKJCP-KRWDZBQOSA-N 0 3 313.445 2.376 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CO[C@@H](C)C1)C2 ZINC000964093338 1085162277 /nfs/dbraw/zinc/16/22/77/1085162277.db2.gz UYVJPOKXHYXFDE-DNBAFCGZSA-N 0 3 312.841 2.181 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnn2c1CCC2 ZINC000960269951 1085175034 /nfs/dbraw/zinc/17/50/34/1085175034.db2.gz AXBXIMBPBFANBL-SJLPKXTDSA-N 0 3 322.412 2.001 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000960275850 1085177582 /nfs/dbraw/zinc/17/75/82/1085177582.db2.gz OWVSBUQZLVQZCB-FGTMMUONSA-N 0 3 313.445 2.029 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](O)CN(C)Cc1csc(C)c1 ZINC001486328694 1085203407 /nfs/dbraw/zinc/20/34/07/1085203407.db2.gz METOHJMPEGQNMZ-HNNXBMFYSA-N 0 3 310.463 2.274 20 30 DEEDHN CC(C)(C)[C@@H](CNCc1cncs1)NC(=O)C#CC1CC1 ZINC001486396618 1085259995 /nfs/dbraw/zinc/25/99/95/1085259995.db2.gz FIIHTOJSYRCELS-CQSZACIVSA-N 0 3 305.447 2.177 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](CNCc1cncs1)C(C)(C)C ZINC001486397071 1085260831 /nfs/dbraw/zinc/26/08/31/1085260831.db2.gz ZJYVWKNXVLANIW-AWEZNQCLSA-N 0 3 307.463 2.423 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001486436090 1085311031 /nfs/dbraw/zinc/31/10/31/1085311031.db2.gz YJTYZNGHVZGBEC-HUUCEWRRSA-N 0 3 324.428 2.435 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2(COC)CCCCC2)CC1 ZINC001486437823 1085312422 /nfs/dbraw/zinc/31/24/22/1085312422.db2.gz LJVZMENNUSMVBP-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)c(F)c1 ZINC001486525604 1085408123 /nfs/dbraw/zinc/40/81/23/1085408123.db2.gz QURURESDYIOMDP-UHFFFAOYSA-N 0 3 315.348 2.132 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)nn1C(CC)CC ZINC000960713792 1085424425 /nfs/dbraw/zinc/42/44/25/1085424425.db2.gz OKHFBLIHQJPGQY-QLPKVWCKSA-N 0 3 316.449 2.399 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)c1cnco1 ZINC000960770730 1085441273 /nfs/dbraw/zinc/44/12/73/1085441273.db2.gz ULERBRSWLLBTRP-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN C=CCN1CC[C@@H]([C@@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000961138721 1085605362 /nfs/dbraw/zinc/60/53/62/1085605362.db2.gz ICOUKGCUOPCMCU-HUUCEWRRSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001078872625 1085841317 /nfs/dbraw/zinc/84/13/17/1085841317.db2.gz AERJZSRVLFJUFW-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)[C@H]2CC2(F)F)C1 ZINC000961813078 1085867355 /nfs/dbraw/zinc/86/73/55/1085867355.db2.gz GQLYTCURQZVEPQ-WDIPEOLASA-N 0 3 319.355 2.198 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)c1ccccc1F ZINC000962047805 1085951876 /nfs/dbraw/zinc/95/18/76/1085951876.db2.gz ADJXUMLGINEPFA-VIKVFOODSA-N 0 3 302.393 2.336 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C2CC2)oc1C ZINC000962173900 1085993418 /nfs/dbraw/zinc/99/34/18/1085993418.db2.gz VSLHQIBMZCRMOD-NHAGDIPZSA-N 0 3 301.390 2.097 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC000962232614 1086029042 /nfs/dbraw/zinc/02/90/42/1086029042.db2.gz ABFFEMMUWTVZNM-UTXMOHQDSA-N 0 3 315.417 2.105 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc2ccc(F)cc12 ZINC000962409262 1086101909 /nfs/dbraw/zinc/10/19/09/1086101909.db2.gz UEHOIEKYVXJRKF-VIKVFOODSA-N 0 3 300.333 2.418 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000962546597 1086160172 /nfs/dbraw/zinc/16/01/72/1086160172.db2.gz STENYVNDKZJPCH-PIIMJCKOSA-N 0 3 320.396 2.055 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2n[nH]cc2c1 ZINC001273133317 1086320254 /nfs/dbraw/zinc/32/02/54/1086320254.db2.gz AZMBSSCZPAIZTI-IBGZPJMESA-N 0 3 322.412 2.153 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001033536869 1086325080 /nfs/dbraw/zinc/32/50/80/1086325080.db2.gz OJHSASVTBVXHOV-CQSZACIVSA-N 0 3 303.406 2.072 20 30 DEEDHN CC#CCCCC(=O)NC[C@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001108142306 1086510239 /nfs/dbraw/zinc/51/02/39/1086510239.db2.gz PXTCPYGIGFNZOK-SJLPKXTDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc[nH]c(=O)c1)C2 ZINC000963674141 1086535365 /nfs/dbraw/zinc/53/53/65/1086535365.db2.gz YQRVAUMLJGZHDW-UHFFFAOYSA-N 0 3 321.808 2.170 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccc(C)nn1)C2 ZINC000963788832 1086559308 /nfs/dbraw/zinc/55/93/08/1086559308.db2.gz SYQPTNGYDZVMFT-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2cc(C)ccc2OC)CCC1 ZINC001129143722 1086607071 /nfs/dbraw/zinc/60/70/71/1086607071.db2.gz UXGIYYBZSRMDQX-UHFFFAOYSA-N 0 3 314.429 2.403 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129238565 1086657950 /nfs/dbraw/zinc/65/79/50/1086657950.db2.gz CSMCXKSRIAICSG-VYDXJSESSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001062058160 1086731038 /nfs/dbraw/zinc/73/10/38/1086731038.db2.gz LNWPDBGLIJQHST-WBVHZDCISA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)COc1ccc(F)cc1 ZINC001273175063 1087182726 /nfs/dbraw/zinc/18/27/26/1087182726.db2.gz AJFPKOKISBMPLP-GFCCVEGCSA-N 0 3 314.788 2.441 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(CCOc3ccccc3)C[C@H]21 ZINC001114759135 1088433855 /nfs/dbraw/zinc/43/38/55/1088433855.db2.gz CIVVEZAKDRWAJC-DZFIZOCASA-N 0 3 314.429 2.468 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)CCC1 ZINC001114786024 1088491065 /nfs/dbraw/zinc/49/10/65/1088491065.db2.gz ZNHNXMGKUBWODP-FVQHAEBGSA-N 0 3 318.461 2.206 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001114791858 1088503567 /nfs/dbraw/zinc/50/35/67/1088503567.db2.gz KVZZRILIANSULW-MUQADHOPSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001079952566 1088514024 /nfs/dbraw/zinc/51/40/24/1088514024.db2.gz KNOGZNPKOCQVGW-IUODEOHRSA-N 0 3 307.825 2.208 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001079938450 1088526777 /nfs/dbraw/zinc/52/67/77/1088526777.db2.gz XQEDZKHLDMTSLE-MLGOLLRUSA-N 0 3 306.356 2.347 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001080074396 1088604735 /nfs/dbraw/zinc/60/47/35/1088604735.db2.gz RILDJZOFDPJRQN-FRFSOERESA-N 0 3 300.402 2.003 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccccc2)cc1 ZINC000958114536 1088799550 /nfs/dbraw/zinc/79/95/50/1088799550.db2.gz DJPITMMXNJHBFC-BWTSREIZSA-N 0 3 317.392 2.418 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccsc2)cc1 ZINC000958165428 1088823581 /nfs/dbraw/zinc/82/35/81/1088823581.db2.gz PNMKFTAVTNROML-FVQHAEBGSA-N 0 3 323.421 2.480 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000958309649 1088916610 /nfs/dbraw/zinc/91/66/10/1088916610.db2.gz OWBYPXGBYWFAQS-BBRMVZONSA-N 0 3 322.836 2.165 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC000958370085 1088944839 /nfs/dbraw/zinc/94/48/39/1088944839.db2.gz NQMVKPNOYLURFP-GOEBONIOSA-N 0 3 322.836 2.247 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001080572539 1089055102 /nfs/dbraw/zinc/05/51/02/1089055102.db2.gz IXDSRLQWSDRUGC-WHJMJZORSA-N 0 3 308.425 2.032 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC000958614167 1089096439 /nfs/dbraw/zinc/09/64/39/1089096439.db2.gz UHNKXWLAZRJAFC-ROUUACIJSA-N 0 3 310.397 2.048 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000958614867 1089096600 /nfs/dbraw/zinc/09/66/00/1089096600.db2.gz YJBWMSKMWOTIHW-WBVHZDCISA-N 0 3 316.445 2.193 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC000958643695 1089115653 /nfs/dbraw/zinc/11/56/53/1089115653.db2.gz CGLPIWXQNBXGBP-QWRGUYRKSA-N 0 3 314.838 2.000 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC000958643694 1089116432 /nfs/dbraw/zinc/11/64/32/1089116432.db2.gz CGLPIWXQNBXGBP-MNOVXSKESA-N 0 3 314.838 2.000 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001080728119 1089158427 /nfs/dbraw/zinc/15/84/27/1089158427.db2.gz GHDBWXYLPQZLPN-RDTXWAMCSA-N 0 3 307.397 2.308 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC000958736775 1089159264 /nfs/dbraw/zinc/15/92/64/1089159264.db2.gz BDVNEDDHXGBVKJ-VQFNDLOPSA-N 0 3 320.396 2.055 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001080831049 1089206903 /nfs/dbraw/zinc/20/69/03/1089206903.db2.gz YGVMXFIMVVMHLB-CXAGYDPISA-N 0 3 315.417 2.271 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001080876329 1089226389 /nfs/dbraw/zinc/22/63/89/1089226389.db2.gz WWUYTTCCXOOQRL-RHSMWYFYSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1c1ccccc1 ZINC001081132130 1089362200 /nfs/dbraw/zinc/36/22/00/1089362200.db2.gz JJALKANCPWQJNW-HRCADAONSA-N 0 3 318.367 2.249 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(F)ccc2CC)[C@H](OC)C1 ZINC001081894985 1089557471 /nfs/dbraw/zinc/55/74/71/1089557471.db2.gz MJDZLNXWKXXPHM-IAGOWNOFSA-N 0 3 320.408 2.393 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccn2C(C)C)[C@H](OC)C1 ZINC001082373260 1089885999 /nfs/dbraw/zinc/88/59/99/1089885999.db2.gz ZVPKQWAELLBUPO-GDBMZVCRSA-N 0 3 305.422 2.074 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](O)C1 ZINC001084000157 1090192115 /nfs/dbraw/zinc/19/21/15/1090192115.db2.gz OCAJGGWLSFNDQH-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2c(C)cc(O)cc2C)C1=O ZINC001273214477 1090218662 /nfs/dbraw/zinc/21/86/62/1090218662.db2.gz RBWHEVMSFNIDRO-LJQANCHMSA-N 0 3 312.413 2.209 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccncc3)[C@@H]2C1 ZINC001084448322 1090293318 /nfs/dbraw/zinc/29/33/18/1090293318.db2.gz RPPHVGUYXOXVTB-CGTJXYLNSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)n(CC)c3C)[C@@H]2C1 ZINC001084495440 1090304200 /nfs/dbraw/zinc/30/42/00/1090304200.db2.gz WGFJCAYKEBKQKD-SJLPKXTDSA-N 0 3 313.445 2.294 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCc3ccc(F)cc3)[C@@H]2C1 ZINC001084491869 1090306975 /nfs/dbraw/zinc/30/69/75/1090306975.db2.gz DCLQVNAKVVSPQP-SJLPKXTDSA-N 0 3 314.404 2.314 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccn(C(C)C)n3)[C@@H]2C1 ZINC001084535184 1090322474 /nfs/dbraw/zinc/32/24/74/1090322474.db2.gz LEFIDUBAUMZQEK-NVXWUHKLSA-N 0 3 316.449 2.115 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ocnc3CC)[C@@H]2C1 ZINC001084648176 1090362794 /nfs/dbraw/zinc/36/27/94/1090362794.db2.gz YRYPVMREOMQAEH-UKRRQHHQSA-N 0 3 303.406 2.350 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)nc3C)[C@@H]2C1 ZINC001084669470 1090379139 /nfs/dbraw/zinc/37/91/39/1090379139.db2.gz UAWLOOKISLOBMP-VQIMIIECSA-N 0 3 323.440 2.437 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(F)c3)[C@@H]2C1 ZINC001084680476 1090387822 /nfs/dbraw/zinc/38/78/22/1090387822.db2.gz PTCCJGYZRXWZSR-RHSMWYFYSA-N 0 3 300.377 2.304 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2F)C1 ZINC001410196518 1090417986 /nfs/dbraw/zinc/41/79/86/1090417986.db2.gz ZCBVNWCCKXNHKT-SRVKXCTJSA-N 0 3 307.344 2.109 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc4c([nH]3)CCCC4)[C@@H]2C1 ZINC001084761300 1090432029 /nfs/dbraw/zinc/43/20/29/1090432029.db2.gz XZGCNLQJYGCANH-CRAIPNDOSA-N 0 3 311.429 2.063 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@]3(C)CCc4ccccc43)[C@@H]2C1 ZINC001084861860 1090483683 /nfs/dbraw/zinc/48/36/83/1090483683.db2.gz JBBUMTRRCHFWBJ-YFVAEKQCSA-N 0 3 322.452 2.447 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cncc3ccccc32)C1=O ZINC001273239892 1090498869 /nfs/dbraw/zinc/49/88/69/1090498869.db2.gz WWAWITHDCCOTBW-FQEVSTJZSA-N 0 3 319.408 2.435 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccon1 ZINC001098928152 1090521674 /nfs/dbraw/zinc/52/16/74/1090521674.db2.gz UDZGQQCDIDQBDY-AWEZNQCLSA-N 0 3 321.421 2.098 20 30 DEEDHN CCC(=O)N(C)[C@H](CNCc1cc(C#N)ccc1OC)C1CC1 ZINC001410287394 1090522299 /nfs/dbraw/zinc/52/22/99/1090522299.db2.gz ZJQPKDRIPRXTEL-MRXNPFEDSA-N 0 3 315.417 2.303 20 30 DEEDHN CCc1noc(C)c1CNC[C@@H](C1CC1)N(C)C(=O)[C@@H](C)C#N ZINC001410292313 1090529517 /nfs/dbraw/zinc/52/95/17/1090529517.db2.gz GOSFJQPBMHHKMU-ZBEGNZNMSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C[C@@H]21 ZINC001084943527 1090530908 /nfs/dbraw/zinc/53/09/08/1090530908.db2.gz IYRGKFNBVYVRLM-XDNAFOTISA-N 0 3 311.429 2.294 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC[C@H]3CCCOC3)C[C@@H]21 ZINC001085064427 1090624210 /nfs/dbraw/zinc/62/42/10/1090624210.db2.gz BGGIEZQSRPJAHB-KURKYZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)C[C@@H]21 ZINC001085104708 1090647293 /nfs/dbraw/zinc/64/72/93/1090647293.db2.gz VRYSCJJSKURAQZ-BBWFWOEESA-N 0 3 316.449 2.170 20 30 DEEDHN COCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001410434768 1090651422 /nfs/dbraw/zinc/65/14/22/1090651422.db2.gz UBXVNDNDGNVVGA-LBPRGKRZSA-N 0 3 323.462 2.229 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C)cn1 ZINC001085123252 1090659212 /nfs/dbraw/zinc/65/92/12/1090659212.db2.gz RWBWRZCWQMHUTH-CHWSQXEVSA-N 0 3 308.813 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c(C)c1C ZINC001085153982 1090677335 /nfs/dbraw/zinc/67/73/35/1090677335.db2.gz WMQBWEBRPMXGMR-CHWSQXEVSA-N 0 3 310.829 2.410 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccc(O)cc3Cl)C2)C1=O ZINC001273295668 1090759689 /nfs/dbraw/zinc/75/96/89/1090759689.db2.gz UQHOGGWJUMJNAN-KRWDZBQOSA-N 0 3 318.804 2.103 20 30 DEEDHN C#CCN1CC[C@]2(CCCN(Cc3cccc(F)n3)CC2)C1=O ZINC001273299283 1090789419 /nfs/dbraw/zinc/78/94/19/1090789419.db2.gz DYMYKUIBWYYJSK-GOSISDBHSA-N 0 3 315.392 2.059 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cccc(F)n3)C2)C1=O ZINC001273303591 1090829043 /nfs/dbraw/zinc/82/90/43/1090829043.db2.gz MLLPQJPJULXTMT-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cccc3cnccc32)C1=O ZINC001273304599 1090835889 /nfs/dbraw/zinc/83/58/89/1090835889.db2.gz OOFSYUNGCOLKHR-HXUWFJFHSA-N 0 3 319.408 2.435 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(N(C)C)s2)C1=O ZINC001273335101 1091061948 /nfs/dbraw/zinc/06/19/48/1091061948.db2.gz CDMSRKRWSPVDTL-QGZVFWFLSA-N 0 3 317.458 2.014 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3cc(C)sc3C)C2)OCC1=O ZINC001273352882 1091077467 /nfs/dbraw/zinc/07/74/67/1091077467.db2.gz OWSQXKHXYDEFMU-KRWDZBQOSA-N 0 3 320.458 2.354 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c1[O-] ZINC001273360824 1091090546 /nfs/dbraw/zinc/09/05/46/1091090546.db2.gz WAOJKVSLQNHPOT-SFHVURJKSA-N 0 3 300.402 2.317 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c1[O-] ZINC001273360824 1091090552 /nfs/dbraw/zinc/09/05/52/1091090552.db2.gz WAOJKVSLQNHPOT-SFHVURJKSA-N 0 3 300.402 2.317 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc4c[nH]nc43)CC2)C1=O ZINC001274251091 1091150872 /nfs/dbraw/zinc/15/08/72/1091150872.db2.gz OURQFHOQOQRVTR-UHFFFAOYSA-N 0 3 322.412 2.011 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cc2c[nH]ccc-2n1 ZINC001274270768 1091159842 /nfs/dbraw/zinc/15/98/42/1091159842.db2.gz WNVQDTRKSMGGDJ-LJQANCHMSA-N 0 3 322.412 2.153 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301206 1091175637 /nfs/dbraw/zinc/17/56/37/1091175637.db2.gz MOPYWSYSEGLTFU-SFHVURJKSA-N 0 3 300.402 2.311 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274301206 1091175647 /nfs/dbraw/zinc/17/56/47/1091175647.db2.gz MOPYWSYSEGLTFU-SFHVURJKSA-N 0 3 300.402 2.311 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cncn3CC)CC2)C1=O ZINC001274341294 1091197235 /nfs/dbraw/zinc/19/72/35/1091197235.db2.gz DDTFTMORKKFQDN-SFHVURJKSA-N 0 3 316.449 2.294 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc3nccn3c1)CC2 ZINC001273402541 1091203984 /nfs/dbraw/zinc/20/39/84/1091203984.db2.gz WVDLMKMCIBFBBG-MRXNPFEDSA-N 0 3 324.428 2.239 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3oc(C)nc3C)CC2)C1=O ZINC001274436553 1091242576 /nfs/dbraw/zinc/24/25/76/1091242576.db2.gz TVLRBEAGWKRXBG-UHFFFAOYSA-N 0 3 303.406 2.292 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(Cl)cc(C)n3)C2)C1=O ZINC001274450071 1091251006 /nfs/dbraw/zinc/25/10/06/1091251006.db2.gz NWYZPKWQNDZJQP-QGZVFWFLSA-N 0 3 317.820 2.101 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ncc(Cl)cc1Cl ZINC001274463074 1091257457 /nfs/dbraw/zinc/25/74/57/1091257457.db2.gz CUJYRIDXOAVRMP-SNAWJCMRSA-N 0 3 312.200 2.287 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1cc(C)sc1C ZINC001320789071 1091376282 /nfs/dbraw/zinc/37/62/82/1091376282.db2.gz UOFNUXHNFONMNH-UHFFFAOYSA-N 0 3 308.447 2.066 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](OCC)C2CC2)C1 ZINC001411240314 1091459020 /nfs/dbraw/zinc/45/90/20/1091459020.db2.gz PWFGRTZEEGMKBB-JXQTWKCFSA-N 0 3 300.830 2.133 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)NCC(F)(F)F ZINC001274964244 1091490374 /nfs/dbraw/zinc/49/03/74/1091490374.db2.gz FHPGLFNXWJIPFH-TXEJJXNPSA-N 0 3 305.344 2.373 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001275176331 1091600530 /nfs/dbraw/zinc/60/05/30/1091600530.db2.gz NMRCDSPTLCIEAX-SJORKVTESA-N 0 3 314.429 2.407 20 30 DEEDHN Cc1cnc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c(C)c1 ZINC001275240626 1091632707 /nfs/dbraw/zinc/63/27/07/1091632707.db2.gz AJMXEFSXXBFYIR-KRWDZBQOSA-N 0 3 321.424 2.458 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CNCC(=O)NC(C)(C)CC)CC1 ZINC001275298286 1091658707 /nfs/dbraw/zinc/65/87/07/1091658707.db2.gz ZOYVMPGTRCWWIN-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)on1 ZINC001275350306 1091682232 /nfs/dbraw/zinc/68/22/32/1091682232.db2.gz ZZPXQNSGRBEZMF-CABCVRRESA-N 0 3 311.385 2.131 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001441493992 1091817361 /nfs/dbraw/zinc/81/73/61/1091817361.db2.gz HFEKTOMEHFJYKD-QWRGUYRKSA-N 0 3 311.476 2.308 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C(C)(C)COC ZINC001273507216 1091890653 /nfs/dbraw/zinc/89/06/53/1091890653.db2.gz VYUGKNPHKKBLPW-UHFFFAOYSA-N 0 3 317.433 2.169 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](OC)c1cccc(OC)c1 ZINC001275607201 1091905311 /nfs/dbraw/zinc/90/53/11/1091905311.db2.gz MYIOXGLJFKRSJC-XJKSGUPXSA-N 0 3 306.406 2.005 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)cc(F)c1)CC2 ZINC001273556582 1091921290 /nfs/dbraw/zinc/92/12/90/1091921290.db2.gz FBVIEKBRFJSFLT-KRWDZBQOSA-N 0 3 314.404 2.486 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C3CC3)no2)CC1 ZINC000948824725 1091958709 /nfs/dbraw/zinc/95/87/09/1091958709.db2.gz MQIUTLJBXJRZCT-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(O)c1C)CC2 ZINC001273619446 1091959031 /nfs/dbraw/zinc/95/90/31/1091959031.db2.gz IAKBMJMBNPMWES-INIZCTEOSA-N 0 3 312.413 2.052 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000948836889 1091963181 /nfs/dbraw/zinc/96/31/81/1091963181.db2.gz RBXITRBPZBMIGC-BZSNNMDCSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3c(c2)COC3)CC1 ZINC000948844241 1091964441 /nfs/dbraw/zinc/96/44/41/1091964441.db2.gz BTEWONIXASPDJR-GOSISDBHSA-N 0 3 312.413 2.277 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC000949436886 1092144990 /nfs/dbraw/zinc/14/49/90/1092144990.db2.gz HNKAPYRNKCAGTD-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H]3CC34CCC4)CC2)C1 ZINC000949483792 1092163377 /nfs/dbraw/zinc/16/33/77/1092163377.db2.gz YFCLKKOQATVWBO-INIZCTEOSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000949498707 1092167497 /nfs/dbraw/zinc/16/74/97/1092167497.db2.gz JBSVNYQBWONEEK-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(CC)cc1 ZINC001275827907 1092189099 /nfs/dbraw/zinc/18/90/99/1092189099.db2.gz OSPIMABCLNGDLC-JKSUJKDBSA-N 0 3 316.445 2.224 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001487805557 1092222744 /nfs/dbraw/zinc/22/27/44/1092222744.db2.gz QHAXCYXAQJIAQY-RHSMWYFYSA-N 0 3 323.481 2.036 20 30 DEEDHN Cn1cc(CN2CC3(C2)CCCN(Cc2ccc[nH]2)C3)cc1C#N ZINC001275855262 1092238455 /nfs/dbraw/zinc/23/84/55/1092238455.db2.gz LEDBTTOLKSMWLM-UHFFFAOYSA-N 0 3 323.444 2.323 20 30 DEEDHN C#CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(OC)CCC1 ZINC001275975211 1092413104 /nfs/dbraw/zinc/41/31/04/1092413104.db2.gz OESMAPWDYYAJDY-IYBDPMFKSA-N 0 3 304.434 2.034 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C12CCC(C(=O)OC)(CC1)C2 ZINC001297372997 1092479170 /nfs/dbraw/zinc/47/91/70/1092479170.db2.gz JYEBYFBTYWVNHX-UHFFFAOYSA-N 0 3 322.449 2.076 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(CC(=O)C(C)(C)C)CC2)C1=O ZINC001273947759 1092532636 /nfs/dbraw/zinc/53/26/36/1092532636.db2.gz MZFZKOKPDCRUMI-SFHVURJKSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001488702741 1092721123 /nfs/dbraw/zinc/72/11/23/1092721123.db2.gz YLPZGGZZACBMEC-GOEBONIOSA-N 0 3 304.438 2.023 20 30 DEEDHN CCc1noc(C)c1CN[C@H]1C[C@H](CNC(=O)C#CC(C)C)C1 ZINC001488826351 1092768536 /nfs/dbraw/zinc/76/85/36/1092768536.db2.gz PBZJFNQSOKFAEH-SHTZXODSSA-N 0 3 317.433 2.189 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001489032474 1092893881 /nfs/dbraw/zinc/89/38/81/1092893881.db2.gz YJTGYMVVHSWRHK-KGLIPLIRSA-N 0 3 323.462 2.062 20 30 DEEDHN C/C=C(/C)C(=O)N[C@@H]1[C@@H]2CCCN(CC#CCOC)[C@H]2C1(C)C ZINC001489088505 1092940163 /nfs/dbraw/zinc/94/01/63/1092940163.db2.gz VWGLDIVHHWKBMQ-XGIDTYOMSA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)[C@@H]1C ZINC001489264045 1092991287 /nfs/dbraw/zinc/99/12/87/1092991287.db2.gz HXGQORUFBDDYEC-NUJGCVRESA-N 0 3 314.429 2.112 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)NCC(C)C ZINC001490290895 1093279549 /nfs/dbraw/zinc/27/95/49/1093279549.db2.gz LJURICKYROIXPZ-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1cc(C)n[nH]1 ZINC001490316603 1093306980 /nfs/dbraw/zinc/30/69/80/1093306980.db2.gz AQRZJFBPLTVFDI-UHFFFAOYSA-N 0 3 324.428 2.212 20 30 DEEDHN CCCCOCCN1CCC(N(C)C(=O)C#CC(C)C)CC1 ZINC001490408164 1093368311 /nfs/dbraw/zinc/36/83/11/1093368311.db2.gz YDQIARKHGQLTQP-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN CN1CC[C@@]2(CCN(Cc3ccc(C#N)cc3Cl)C2)C1=O ZINC001274103587 1093798703 /nfs/dbraw/zinc/79/87/03/1093798703.db2.gz GUJUKZLVROTCNV-INIZCTEOSA-N 0 3 303.793 2.266 20 30 DEEDHN CCO[C@@H](C)C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001420726056 1171088747 /nfs/dbraw/zinc/08/87/47/1171088747.db2.gz KBDRTACMUPCXQW-XHDPSFHLSA-N 0 3 321.446 2.029 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CCn3cccn3)[C@@H]2C)CCC1 ZINC001691723044 1138212634 /nfs/dbraw/zinc/21/26/34/1138212634.db2.gz QUQSGAXZAAMPGH-CVEARBPZSA-N 0 3 316.449 2.209 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C#CC3CC3)C[C@H]2C1 ZINC001276830516 1138329469 /nfs/dbraw/zinc/32/94/69/1138329469.db2.gz OXCANOXZZLBCGH-JYJNAYRXSA-N 0 3 306.837 2.369 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1coc(-c2ccccc2)n1 ZINC001277987319 1138381444 /nfs/dbraw/zinc/38/14/44/1138381444.db2.gz HTBDPIHVPBBTCC-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C#CC1CCN(Cc2ccc(F)c(N3CCN(C)CC3)c2)CC1 ZINC001236967682 1138469006 /nfs/dbraw/zinc/46/90/06/1138469006.db2.gz OZCWCFGIBQQLKJ-UHFFFAOYSA-N 0 3 315.436 2.423 20 30 DEEDHN CC(=O)N(C)[C@H]1CCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237473367 1138647079 /nfs/dbraw/zinc/64/70/79/1138647079.db2.gz ZAAZUEVZEKZMRU-INIZCTEOSA-N 0 3 310.401 2.103 20 30 DEEDHN C#CCN(C(=O)C(C)(C)F)C1CCN(CCOC2CCC2)CC1 ZINC001278107472 1138660816 /nfs/dbraw/zinc/66/08/16/1138660816.db2.gz QNXBRRIXLXTECM-UHFFFAOYSA-N 0 3 324.440 2.230 20 30 DEEDHN CC(C)(C)CN1CC2(C1)SCC[C@@H]2C(=O)N1CC(CC#N)C1 ZINC001278111128 1138668409 /nfs/dbraw/zinc/66/84/09/1138668409.db2.gz AQFSGABYQOVSBE-CQSZACIVSA-N 0 3 321.490 2.212 20 30 DEEDHN C#CCN(C(=O)[C@H]1CC1(C)C)C1CCN(CCOCC=C)CC1 ZINC001278145017 1138786914 /nfs/dbraw/zinc/78/69/14/1138786914.db2.gz WBAVZBIUUDKSJH-QGZVFWFLSA-N 0 3 318.461 2.161 20 30 DEEDHN C#CCN(C(=O)c1cccc2[nH]ncc21)C1CCN(CC=C)CC1 ZINC001278169804 1138810822 /nfs/dbraw/zinc/81/08/22/1138810822.db2.gz RZVYIEVRCMNTTQ-UHFFFAOYSA-N 0 3 322.412 2.289 20 30 DEEDHN COc1cc(CN2CCC3(CCCNC3=O)CC2)ccc1C#N ZINC001238410219 1138844627 /nfs/dbraw/zinc/84/46/27/1138844627.db2.gz YBXICDOYYQRYOW-UHFFFAOYSA-N 0 3 313.401 2.059 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1cc[nH]c1 ZINC001278265611 1138865648 /nfs/dbraw/zinc/86/56/48/1138865648.db2.gz YGHZOWXVLMDMPE-MAUKXSAKSA-N 0 3 307.397 2.259 20 30 DEEDHN N#Cc1ccc(CN2CCC3(C=C(C(N)=O)CC3)CC2)c(F)c1 ZINC001278305566 1139212388 /nfs/dbraw/zinc/21/23/88/1139212388.db2.gz KDUKEUJALIIAIE-UHFFFAOYSA-N 0 3 313.376 2.485 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001296920659 1139832696 /nfs/dbraw/zinc/83/26/96/1139832696.db2.gz IQYSEIBZQVGDSF-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001297926769 1139899150 /nfs/dbraw/zinc/89/91/50/1139899150.db2.gz ZPXBGOHMCBCUIP-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCOc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001298076602 1139991748 /nfs/dbraw/zinc/99/17/48/1139991748.db2.gz VSSRXKRUPGWAFA-UHFFFAOYSA-N 0 3 302.418 2.293 20 30 DEEDHN N#Cc1cc(-c2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)ccc1[O-] ZINC001242563735 1140000134 /nfs/dbraw/zinc/00/01/34/1140000134.db2.gz KONQYNMMMSHKOV-MRXNPFEDSA-N 0 3 319.364 2.081 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCOc2cccc(OC)c2)C1 ZINC001318446402 1140332694 /nfs/dbraw/zinc/33/26/94/1140332694.db2.gz VIQLCSZYITYOLX-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCc2cncs2)C1 ZINC001318482804 1140345712 /nfs/dbraw/zinc/34/57/12/1140345712.db2.gz LVSMSTCQWHRWSS-AWEZNQCLSA-N 0 3 305.447 2.022 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001318484117 1140345814 /nfs/dbraw/zinc/34/58/14/1140345814.db2.gz VBZAAJMJXANCOO-KGLIPLIRSA-N 0 3 318.408 2.403 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCC#Cc1ccc(Cl)cc1 ZINC001318508750 1140353993 /nfs/dbraw/zinc/35/39/93/1140353993.db2.gz WZDOFFDHDKTFDS-BBRMVZONSA-N 0 3 317.820 2.336 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cncc(OC(C)C)c2)C1 ZINC001278389761 1140471862 /nfs/dbraw/zinc/47/18/62/1140471862.db2.gz AXRLKFQOROKNBD-GDBMZVCRSA-N 0 3 315.417 2.085 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](N[C@@H](C)c2cnccn2)CC1 ZINC001318947354 1140475265 /nfs/dbraw/zinc/47/52/65/1140475265.db2.gz HJRKPJGCVULULF-JYJNAYRXSA-N 0 3 314.433 2.358 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2c(C)onc2CC)cc1 ZINC001319008669 1140489624 /nfs/dbraw/zinc/48/96/24/1140489624.db2.gz ICYSJHYHKQDPRB-UHFFFAOYSA-N 0 3 311.385 2.198 20 30 DEEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(CCOC[C@H]2CCCO2)C1 ZINC001278397646 1140528613 /nfs/dbraw/zinc/52/86/13/1140528613.db2.gz UQXOUJFDNFNHIV-AEFFLSMTSA-N 0 3 324.465 2.119 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(OC)c2C)C1 ZINC001278402739 1140581600 /nfs/dbraw/zinc/58/16/00/1140581600.db2.gz CQPLCROQVCYLGY-UKRRQHHQSA-N 0 3 300.402 2.220 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001278403146 1140592515 /nfs/dbraw/zinc/59/25/15/1140592515.db2.gz GXQJOOMGRUEQEN-RDTXWAMCSA-N 0 3 322.412 2.293 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001319514336 1140606402 /nfs/dbraw/zinc/60/64/02/1140606402.db2.gz KNLIBMRUNDPKSE-NVXWUHKLSA-N 0 3 304.409 2.469 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cccc2scnc21 ZINC001319999399 1140811663 /nfs/dbraw/zinc/81/16/63/1140811663.db2.gz FUUHLAXASMJLMJ-UHFFFAOYSA-N 0 3 301.415 2.323 20 30 DEEDHN Cc1oncc1CN1CC[C@H]2CN(C(=O)C#CC(C)C)CC[C@@H]21 ZINC001320103384 1140822725 /nfs/dbraw/zinc/82/27/25/1140822725.db2.gz KILIQZGJNMQNLH-RDJZCZTQSA-N 0 3 315.417 2.065 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](O)CNCc1sccc1Cl ZINC001320255923 1140841592 /nfs/dbraw/zinc/84/15/92/1140841592.db2.gz BIILTVLCVWNQAT-JTQLQIEISA-N 0 3 316.854 2.180 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001320427538 1140864508 /nfs/dbraw/zinc/86/45/08/1140864508.db2.gz GDMHBCUMZMUSJJ-HZPDHXFCSA-N 0 3 305.422 2.098 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001278438448 1140877237 /nfs/dbraw/zinc/87/72/37/1140877237.db2.gz SVKBGUKBVUYEPG-CRAIPNDOSA-N 0 3 300.402 2.058 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001278443734 1140889189 /nfs/dbraw/zinc/88/91/89/1140889189.db2.gz HDULZICUHXLQPJ-INIZCTEOSA-N 0 3 324.856 2.310 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1ccc(Cl)cc1F ZINC001321143571 1141065535 /nfs/dbraw/zinc/06/55/35/1141065535.db2.gz DRHXVABSKFNDLJ-NSCUHMNNSA-N 0 3 324.783 2.005 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001321433455 1141255732 /nfs/dbraw/zinc/25/57/32/1141255732.db2.gz UWCQWCGDGUPDMX-NNTXTVRGSA-N 0 3 304.821 2.414 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)CC(C1CCC1)C1CCC1 ZINC001321652117 1141321633 /nfs/dbraw/zinc/32/16/33/1141321633.db2.gz BPIZOXBABDVYLC-OAHLLOKOSA-N 0 3 320.477 2.337 20 30 DEEDHN CO[C@H](CN(C)C[C@@H](C)NC(=O)C#CC(C)C)c1ccccc1 ZINC001322155237 1141414887 /nfs/dbraw/zinc/41/48/87/1141414887.db2.gz BBMGSXFIYRSXEK-SJLPKXTDSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1coc(Br)c1 ZINC001322168239 1141429468 /nfs/dbraw/zinc/42/94/68/1141429468.db2.gz INBXLZOCPPLPSD-SECBINFHSA-N 0 3 301.184 2.278 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001322195804 1141450249 /nfs/dbraw/zinc/45/02/49/1141450249.db2.gz JVWYMRBYHBVLEK-NHYWBVRUSA-N 0 3 308.809 2.266 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1c(C)cc(C)nc1C ZINC001322211100 1141466150 /nfs/dbraw/zinc/46/61/50/1141466150.db2.gz UDIYNCVPBBIISM-OAHLLOKOSA-N 0 3 319.449 2.260 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001322698746 1141686750 /nfs/dbraw/zinc/68/67/50/1141686750.db2.gz BDYREHQTXZSMEN-VXGBXAGGSA-N 0 3 303.244 2.379 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1 ZINC001322991897 1141795239 /nfs/dbraw/zinc/79/52/39/1141795239.db2.gz POAIHIYYVPAKCW-SMDDNHRTSA-N 0 3 321.248 2.117 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001323320166 1141841795 /nfs/dbraw/zinc/84/17/95/1141841795.db2.gz URHXXQKYKMICSP-QGZVFWFLSA-N 0 3 300.402 2.487 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001323405605 1141850488 /nfs/dbraw/zinc/85/04/88/1141850488.db2.gz KAGFWURWWOMXEC-GFCCVEGCSA-N 0 3 324.371 2.467 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](OC(C)C)c2ccccc2)CC1 ZINC001323627415 1141871306 /nfs/dbraw/zinc/87/13/06/1141871306.db2.gz CKQVQSXDXUNHHY-MRXNPFEDSA-N 0 3 300.402 2.024 20 30 DEEDHN N#CCCOCCN1CCC(O)(Cc2ccccc2F)CC1 ZINC001324265883 1142043931 /nfs/dbraw/zinc/04/39/31/1142043931.db2.gz FUFADCKGSZWXAK-UHFFFAOYSA-N 0 3 306.381 2.125 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001324285930 1142049067 /nfs/dbraw/zinc/04/90/67/1142049067.db2.gz NKQLHHBTMGOFSC-INIZCTEOSA-N 0 3 320.408 2.499 20 30 DEEDHN C#CCN(C(=O)C1CC1)C1CCN(CCOCC2CCC2)CC1 ZINC001324353703 1142061452 /nfs/dbraw/zinc/06/14/52/1142061452.db2.gz TUJVTMMGXZTNMG-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001324572338 1142110815 /nfs/dbraw/zinc/11/08/15/1142110815.db2.gz GGVNYIKDQDUOJY-ABAIWWIYSA-N 0 3 308.451 2.395 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC001252132476 1142651332 /nfs/dbraw/zinc/65/13/32/1142651332.db2.gz HKTJRGQJCMBEIY-KRWDZBQOSA-N 0 3 314.514 2.486 20 30 DEEDHN C=CCOC[C@H](O)CN1CCN(Cc2ccccc2)C[C@@H]1CC ZINC001252473747 1142727474 /nfs/dbraw/zinc/72/74/74/1142727474.db2.gz OZHBASIOLVXRCV-RBUKOAKNSA-N 0 3 318.461 2.146 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1cc(Br)ccc1F ZINC001252488369 1142732072 /nfs/dbraw/zinc/73/20/72/1142732072.db2.gz LOBCDJAFDWLGAQ-LBPRGKRZSA-N 0 3 318.186 2.241 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001337439049 1142753778 /nfs/dbraw/zinc/75/37/78/1142753778.db2.gz WVNAKMHCXNNYEB-GDBMZVCRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC[C@@H](O)CN1CCc2nc(C(=O)OCC)sc2CC1 ZINC001252596822 1142779808 /nfs/dbraw/zinc/77/98/08/1142779808.db2.gz VEYNXAUFYHFEQU-GFCCVEGCSA-N 0 3 324.446 2.048 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H]1CCOc2ccc(C(=O)OC)cc21 ZINC001252624281 1142796055 /nfs/dbraw/zinc/79/60/55/1142796055.db2.gz CJSIGNHXAAUMAV-UKRRQHHQSA-N 0 3 305.374 2.214 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc3cccnn32)C1 ZINC001278681447 1142814538 /nfs/dbraw/zinc/81/45/38/1142814538.db2.gz FRLWFQOKBFJFAZ-LJQANCHMSA-N 0 3 324.428 2.190 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)COc2ccccc2)C1 ZINC001278687061 1142829226 /nfs/dbraw/zinc/82/92/26/1142829226.db2.gz OJNMZXDZFMREDD-IBGZPJMESA-N 0 3 314.429 2.307 20 30 DEEDHN CCn1c(CCCCC#N)nnc1N1CCN(C(C)(C)C)CC1 ZINC001339312302 1143011065 /nfs/dbraw/zinc/01/10/65/1143011065.db2.gz NYLWYRPPKKEYPJ-UHFFFAOYSA-N 0 3 318.469 2.455 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC001339861540 1143141012 /nfs/dbraw/zinc/14/10/12/1143141012.db2.gz LCFSLQPDQDGPMU-AWEZNQCLSA-N 0 3 310.369 2.473 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC001339909193 1143173513 /nfs/dbraw/zinc/17/35/13/1143173513.db2.gz PMFPEIOCCVBEBW-DOMZBBRYSA-N 0 3 315.417 2.066 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@H]2OCC[C@H]21 ZINC001254636044 1143290178 /nfs/dbraw/zinc/29/01/78/1143290178.db2.gz HLLRVEWGQGPSKV-UXXRCYHCSA-N 0 3 321.421 2.045 20 30 DEEDHN CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254659556 1143300563 /nfs/dbraw/zinc/30/05/63/1143300563.db2.gz AXJDMFACSIFJTO-RBSFLKMASA-N 0 3 323.437 2.246 20 30 DEEDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)[C@H]1CC[C@H](C#N)C1 ZINC001254680218 1143311944 /nfs/dbraw/zinc/31/19/44/1143311944.db2.gz VAFHSHHWYPZXGM-AJNGGQMLSA-N 0 3 323.437 2.245 20 30 DEEDHN C#C[C@H]1CCCCN1c1nnc([C@H]2CCCN(C)C2)n1CC ZINC001340461492 1143351126 /nfs/dbraw/zinc/35/11/26/1143351126.db2.gz ZSSSRVSNQDERLG-GJZGRUSLSA-N 0 3 301.438 2.099 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254962407 1143375764 /nfs/dbraw/zinc/37/57/64/1143375764.db2.gz CTXSROLTOQZUMS-MGPQQGTHSA-N 0 3 306.406 2.121 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCN1CCCc2ccccc21 ZINC001341569882 1143630245 /nfs/dbraw/zinc/63/02/45/1143630245.db2.gz ANXUVRUHKQHLNY-INIZCTEOSA-N 0 3 301.434 2.239 20 30 DEEDHN N#CC1(c2ccccc2)CC(NCCOC[C@H]2CCOC2)C1 ZINC001255467195 1143649277 /nfs/dbraw/zinc/64/92/77/1143649277.db2.gz QKYWLYFANSCBBZ-ZLPCBKJTSA-N 0 3 300.402 2.253 20 30 DEEDHN C=CC1(CC(=O)C(C#N)C(=O)NCCCOC)CCCCC1 ZINC001342022979 1143772288 /nfs/dbraw/zinc/77/22/88/1143772288.db2.gz WBVHEWOSLSUUGC-CQSZACIVSA-N 0 3 306.406 2.375 20 30 DEEDHN C=CCCC(C)(C)NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001342265839 1143807740 /nfs/dbraw/zinc/80/77/40/1143807740.db2.gz RYXAPLVNELEXNS-CQSZACIVSA-N 0 3 315.417 2.373 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1=O ZINC001255833246 1143809771 /nfs/dbraw/zinc/80/97/71/1143809771.db2.gz PNGVJLBPICIHJW-VNQPRFMTSA-N 0 3 313.401 2.003 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cccc2[nH]c(=O)[nH]c21)C(C)C ZINC001278912398 1143830622 /nfs/dbraw/zinc/83/06/22/1143830622.db2.gz PAQHZXWIIHAANF-UHFFFAOYSA-N 0 3 316.405 2.237 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(C)C ZINC001278922658 1143838965 /nfs/dbraw/zinc/83/89/65/1143838965.db2.gz UDIPYUOWVVMZEM-JKSUJKDBSA-N 0 3 323.481 2.023 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H](C)Cc2ccccn2)C1 ZINC001256424337 1143848352 /nfs/dbraw/zinc/84/83/52/1143848352.db2.gz VFIDWAFGEHCFFL-GDBMZVCRSA-N 0 3 303.406 2.389 20 30 DEEDHN C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001278954117 1143860018 /nfs/dbraw/zinc/86/00/18/1143860018.db2.gz SZFCILFBYFESCP-UZNRBESSSA-N 0 3 316.445 2.128 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001281034274 1143919385 /nfs/dbraw/zinc/91/93/85/1143919385.db2.gz GXYVXNRTZGGWCR-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258645598 1144030913 /nfs/dbraw/zinc/03/09/13/1144030913.db2.gz OSECCNVWSQBLOM-UHFFFAOYSA-N 0 3 313.445 2.095 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)COc2ccsc2)CC1 ZINC001279104893 1144119598 /nfs/dbraw/zinc/11/95/98/1144119598.db2.gz PXLZPNXXMLFTMX-CQSZACIVSA-N 0 3 320.458 2.367 20 30 DEEDHN CSC[C@@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001262569835 1144319764 /nfs/dbraw/zinc/31/97/64/1144319764.db2.gz HNSJUVWRLQZYBF-ZDUSSCGKSA-N 0 3 303.349 2.370 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(-c2ccccn2)s1 ZINC001263096512 1144355452 /nfs/dbraw/zinc/35/54/52/1144355452.db2.gz UGSBHSSAEDMHHQ-SNVBAGLBSA-N 0 3 303.391 2.222 20 30 DEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc(F)ccc1OC ZINC001263199961 1144360923 /nfs/dbraw/zinc/36/09/23/1144360923.db2.gz WCLYBWPOCHJTKV-ZIAGYGMSSA-N 0 3 307.369 2.423 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001263869730 1144417180 /nfs/dbraw/zinc/41/71/80/1144417180.db2.gz BIOLPTXWUKRPOP-BRWVUGGUSA-N 0 3 302.393 2.271 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001263869731 1144417354 /nfs/dbraw/zinc/41/73/54/1144417354.db2.gz BIOLPTXWUKRPOP-ULQDDVLXSA-N 0 3 302.393 2.271 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Oc2cccnc2)[C@H]1CC ZINC001264062469 1144453402 /nfs/dbraw/zinc/45/34/02/1144453402.db2.gz HFMZTDRCQAFOIA-CWRNSKLLSA-N 0 3 303.406 2.004 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(CCO)Cc2ccccc2)C1 ZINC001264074557 1144455897 /nfs/dbraw/zinc/45/58/97/1144455897.db2.gz FKHBFPJUKPYGEJ-SFHVURJKSA-N 0 3 316.445 2.438 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCCC[C@H](NCC(=O)NCC)C1 ZINC001264123110 1144476333 /nfs/dbraw/zinc/47/63/33/1144476333.db2.gz ZVNVMXIAIITJBG-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)COCc2ccc(C)cc2)[C@H]1C ZINC001264144644 1144485549 /nfs/dbraw/zinc/48/55/49/1144485549.db2.gz PORRSODHMIZUGB-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@H](NCc2ccns2)C1 ZINC001264429022 1144537912 /nfs/dbraw/zinc/53/79/12/1144537912.db2.gz DKIVYPCWJAASCJ-HDJSIYSDSA-N 0 3 305.447 2.321 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001264428919 1144537942 /nfs/dbraw/zinc/53/79/42/1144537942.db2.gz AJOZNXDXZMBLKA-NMFUWQPSSA-N 0 3 319.453 2.261 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCCOCC)C2)CC1 ZINC001264495527 1144546405 /nfs/dbraw/zinc/54/64/05/1144546405.db2.gz JWWNMYIJZYGWHC-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC001264627973 1144581263 /nfs/dbraw/zinc/58/12/63/1144581263.db2.gz DMMSVQPAGUCCII-KRWDZBQOSA-N 0 3 302.418 2.080 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001264645529 1144585720 /nfs/dbraw/zinc/58/57/20/1144585720.db2.gz NITCDRHBIYELLJ-SJORKVTESA-N 0 3 316.449 2.057 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCCCN(C(=O)CCCC)C1 ZINC001264671643 1144589300 /nfs/dbraw/zinc/58/93/00/1144589300.db2.gz XDEGDZCRRAUIET-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H](C)OC)C2 ZINC001281085150 1144599940 /nfs/dbraw/zinc/59/99/40/1144599940.db2.gz HTKGUMBBWZQENB-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](c2cccnc2)C(C)C)[C@H]1C ZINC001264724988 1144601383 /nfs/dbraw/zinc/60/13/83/1144601383.db2.gz QFIWWPVECRMSQV-NJAFHUGGSA-N 0 3 313.445 2.424 20 30 DEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(CC=C(C)C)[C@@H]1C ZINC001264722178 1144601392 /nfs/dbraw/zinc/60/13/92/1144601392.db2.gz GDPFWYCQXUDNFV-HYVNUMGLSA-N 0 3 321.465 2.003 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)[C@H]2CC23CC3)CC(C)(C)C1 ZINC001264753956 1144607002 /nfs/dbraw/zinc/60/70/02/1144607002.db2.gz SFAZBBAHIUIQJZ-JKSUJKDBSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc2ncsc2c1 ZINC001265065443 1144636020 /nfs/dbraw/zinc/63/60/20/1144636020.db2.gz UIUVLHSMBQOKSH-UHFFFAOYSA-N 0 3 301.415 2.371 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCc1ccc(OC)cc1 ZINC001265066605 1144636104 /nfs/dbraw/zinc/63/61/04/1144636104.db2.gz RRSKQWOOIYNKCH-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN CC#CCN(CCCNC(=O)c1nc(C)n2ccccc12)C1CC1 ZINC001265168596 1144659826 /nfs/dbraw/zinc/65/98/26/1144659826.db2.gz GAEYIVQIIKUQLM-UHFFFAOYSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001265215970 1144668736 /nfs/dbraw/zinc/66/87/36/1144668736.db2.gz FQTBRULJXSUXAZ-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001265274719 1144679750 /nfs/dbraw/zinc/67/97/50/1144679750.db2.gz HNTCCTSUPOXGGM-OAHLLOKOSA-N 0 3 308.447 2.074 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001265343368 1144696362 /nfs/dbraw/zinc/69/63/62/1144696362.db2.gz HUZPVHWMUZFPOF-INIZCTEOSA-N 0 3 320.383 2.410 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001265352742 1144697425 /nfs/dbraw/zinc/69/74/25/1144697425.db2.gz WZLKSTSYBCJABD-MRXNPFEDSA-N 0 3 303.381 2.009 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H]2CN(CC#CC)CC[C@@H]21 ZINC001265523494 1144708911 /nfs/dbraw/zinc/70/89/11/1144708911.db2.gz LQPBVHQSIVDBIN-ROUUACIJSA-N 0 3 318.461 2.305 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001265596327 1144716251 /nfs/dbraw/zinc/71/62/51/1144716251.db2.gz AFQOESXAMRZSDI-ZWKOTPCHSA-N 0 3 316.420 2.419 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC001265642880 1144721324 /nfs/dbraw/zinc/72/13/24/1144721324.db2.gz BNTCAMWGPUJDKI-JJEJIETFSA-N 0 3 317.433 2.201 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCn1cc(Cl)cn1 ZINC001265658108 1144723426 /nfs/dbraw/zinc/72/34/26/1144723426.db2.gz RBGKFBYLCXNGMD-CQSZACIVSA-N 0 3 310.829 2.083 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNCC(=O)N[C@@H](C)C(C)C ZINC001265664602 1144724826 /nfs/dbraw/zinc/72/48/26/1144724826.db2.gz WCJBLLAXMSTTFH-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001265679431 1144726698 /nfs/dbraw/zinc/72/66/98/1144726698.db2.gz DGVDBJDKVNMIKG-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cc(C)nn1C(CC)CC ZINC001265794588 1144741687 /nfs/dbraw/zinc/74/16/87/1144741687.db2.gz RNMDLDVMKZZUCC-CQSZACIVSA-N 0 3 304.438 2.284 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(-c2ccccc2)no1 ZINC001265882128 1144750594 /nfs/dbraw/zinc/75/05/94/1144750594.db2.gz BRMHNVBUJNKRHE-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cccc(NC(C)=O)c2)C1 ZINC001265895078 1144751672 /nfs/dbraw/zinc/75/16/72/1144751672.db2.gz FAGSBDVLDDNWMR-KRWDZBQOSA-N 0 3 315.417 2.302 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCN(CC)[C@@H]1CCCN(C)C1=O ZINC001266045835 1144799670 /nfs/dbraw/zinc/79/96/70/1144799670.db2.gz NZEPKFOMEBQPID-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCC[C@@H](C)O)C2)CCC1 ZINC001266237239 1144817461 /nfs/dbraw/zinc/81/74/61/1144817461.db2.gz RRWDMNSYUQUBMM-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(CCOC)CC2)CC1 ZINC001279136898 1144818801 /nfs/dbraw/zinc/81/88/01/1144818801.db2.gz OLWOXTUICYSCGO-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)Cc1ccoc1 ZINC001279304802 1144820381 /nfs/dbraw/zinc/82/03/81/1144820381.db2.gz QPWCEPDAXPKKCO-UHFFFAOYSA-N 0 3 310.397 2.464 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2occc2Cl)C1 ZINC001279509828 1144823382 /nfs/dbraw/zinc/82/33/82/1144823382.db2.gz OCNXQSJSFBVGRO-HNNXBMFYSA-N 0 3 312.797 2.066 20 30 DEEDHN C=CCN1CC=C(CNC(=O)COc2ccc(OC)cc2)CC1 ZINC001279687331 1144827258 /nfs/dbraw/zinc/82/72/58/1144827258.db2.gz JJYRNPPSJGGOJU-UHFFFAOYSA-N 0 3 316.401 2.008 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001280451956 1144840415 /nfs/dbraw/zinc/84/04/15/1144840415.db2.gz JXPQJUCSRDUMLH-OAHLLOKOSA-N 0 3 304.438 2.247 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001316604041 1144843977 /nfs/dbraw/zinc/84/39/77/1144843977.db2.gz DGZUZAKIYHMUMZ-WFASDCNBSA-N 0 3 304.438 2.239 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001280729853 1144851252 /nfs/dbraw/zinc/85/12/52/1144851252.db2.gz UJSSCYXNWWZIGQ-WNRNVDISSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1scnc1C(C)(C)C ZINC001280864494 1144860261 /nfs/dbraw/zinc/86/02/61/1144860261.db2.gz PNHSAKRQXLYWKY-UHFFFAOYSA-N 0 3 307.463 2.468 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001316606863 1144860975 /nfs/dbraw/zinc/86/09/75/1144860975.db2.gz LVEQPSCBQBIQSN-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](CO)(NCc2cccc(C)c2)C1 ZINC001281103165 1144871639 /nfs/dbraw/zinc/87/16/39/1144871639.db2.gz DBYAKVKFKRECAL-LJQANCHMSA-N 0 3 316.445 2.404 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001281163433 1144875176 /nfs/dbraw/zinc/87/51/76/1144875176.db2.gz OCKBKMMLWPFOQY-QAPCUYQASA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1c2ccccc2CCN1CCC ZINC001281776953 1144913594 /nfs/dbraw/zinc/91/35/94/1144913594.db2.gz QHHAKTJMHGCCMY-QGZVFWFLSA-N 0 3 302.418 2.315 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)CC2(C)CCCCC2)CC1 ZINC001281806309 1144914878 /nfs/dbraw/zinc/91/48/78/1144914878.db2.gz HRMSIKDGJNBTMU-UHFFFAOYSA-N 0 3 320.477 2.313 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281953483 1144923385 /nfs/dbraw/zinc/92/33/85/1144923385.db2.gz WSVOLCZTHFPEJK-OAHLLOKOSA-N 0 3 306.406 2.327 20 30 DEEDHN CC(C)OCCN(C)[C@@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001282498199 1145079702 /nfs/dbraw/zinc/07/97/02/1145079702.db2.gz WSRDNOUJQXISDL-KRWDZBQOSA-N 0 3 316.445 2.290 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001282739779 1145157854 /nfs/dbraw/zinc/15/78/54/1145157854.db2.gz KYOLEZMPAIJYBF-CABCVRRESA-N 0 3 320.433 2.331 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2nc(C)cs2)C(C)(C)C1 ZINC001282813215 1145169325 /nfs/dbraw/zinc/16/93/25/1145169325.db2.gz VDXWFPWHCWMCTK-ZDUSSCGKSA-N 0 3 307.463 2.397 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccncc2)C(C)(C)C1 ZINC001282813593 1145169524 /nfs/dbraw/zinc/16/95/24/1145169524.db2.gz YHBSWAMCSVBTNR-MRXNPFEDSA-N 0 3 301.434 2.417 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC001282872170 1145184058 /nfs/dbraw/zinc/18/40/58/1145184058.db2.gz QMNAFYUQGHKAHY-LDLYASANSA-N 0 3 308.425 2.034 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC001364375642 1145203531 /nfs/dbraw/zinc/20/35/31/1145203531.db2.gz MLTPSZZBKWKVOT-ZWKOTPCHSA-N 0 3 300.402 2.340 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CCOCC)C[C@H]2C1 ZINC001282940291 1145207449 /nfs/dbraw/zinc/20/74/49/1145207449.db2.gz QNCOXWYSTDBQTE-KKUMJFAQSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCOCC)C[C@@H]2C1 ZINC001282940293 1145207991 /nfs/dbraw/zinc/20/79/91/1145207991.db2.gz QNCOXWYSTDBQTE-RRFJBIMHSA-N 0 3 314.857 2.382 20 30 DEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001364455755 1145263554 /nfs/dbraw/zinc/26/35/54/1145263554.db2.gz OZFOYDCAGUKKGP-RTBURBONSA-N 0 3 321.380 2.129 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1cc(C2CC2)no1 ZINC001283146993 1145289944 /nfs/dbraw/zinc/28/99/44/1145289944.db2.gz UMYRIKOQXLSNMS-VXGBXAGGSA-N 0 3 304.394 2.086 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C)CC(=O)N(CC)CC)CC1 ZINC001283309921 1145355949 /nfs/dbraw/zinc/35/59/49/1145355949.db2.gz BKZRAEMTMKMQPI-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@H](O)c1cccc(C#N)c1 ZINC001364660808 1145422436 /nfs/dbraw/zinc/42/24/36/1145422436.db2.gz UUOTXEXJJJLBCO-MSOLQXFVSA-N 0 3 310.401 2.471 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@H](NCc2c(C)onc2CC)C1 ZINC001316628391 1145528721 /nfs/dbraw/zinc/52/87/21/1145528721.db2.gz MIHSDXCUQHKFFJ-HDJSIYSDSA-N 0 3 305.422 2.496 20 30 DEEDHN C[C@@H](CN(C)C(=O)C#CC1CC1)NCc1ccc(Cl)nc1 ZINC001283607681 1145542064 /nfs/dbraw/zinc/54/20/64/1145542064.db2.gz HWJVZEDZKXLDMN-LBPRGKRZSA-N 0 3 305.809 2.085 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1cnc(C)nc1 ZINC001283664813 1145569228 /nfs/dbraw/zinc/56/92/28/1145569228.db2.gz FTTVJGUDKFQFFI-UKRRQHHQSA-N 0 3 304.438 2.324 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](CO)N[C@H](C)c1ccccc1C ZINC001283793267 1145649122 /nfs/dbraw/zinc/64/91/22/1145649122.db2.gz TWOMFCKBJJMTRL-IAGOWNOFSA-N 0 3 316.445 2.316 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)CCC2CCCC2)C1 ZINC001283944181 1145721322 /nfs/dbraw/zinc/72/13/22/1145721322.db2.gz DCSRBBBBZLTIAL-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC1CCCC1 ZINC001480468860 1151824730 /nfs/dbraw/zinc/82/47/30/1151824730.db2.gz SDFGFCFNWXDSDH-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2ccccc2F)C[C@@H]1C ZINC001284034770 1145763792 /nfs/dbraw/zinc/76/37/92/1145763792.db2.gz VPSLLDKEKZOLEK-GOEBONIOSA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccon3)[C@H]2C1 ZINC001284086147 1145793257 /nfs/dbraw/zinc/79/32/57/1145793257.db2.gz YESDQGOVSMZUNE-CWRNSKLLSA-N 0 3 303.406 2.358 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCCOC2CCOCC2)[C@H]1C ZINC001284154769 1145809229 /nfs/dbraw/zinc/80/92/29/1145809229.db2.gz QGSZNPCCYLBMQT-WBVHZDCISA-N 0 3 324.465 2.117 20 30 DEEDHN Cc1nc(C#N)cc(N2CCN[C@H](c3ccc(Cl)cc3)C2)n1 ZINC001365246781 1145829649 /nfs/dbraw/zinc/82/96/49/1145829649.db2.gz CSRZWOIDKJEROF-HNNXBMFYSA-N 0 3 313.792 2.461 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC001284311902 1145834897 /nfs/dbraw/zinc/83/48/97/1145834897.db2.gz GIFPCDNLRPVHOQ-KGLIPLIRSA-N 0 3 319.453 2.042 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001316632579 1145850992 /nfs/dbraw/zinc/85/09/92/1145850992.db2.gz POJJRORMIGYAIT-IYARVYRRSA-N 0 3 321.424 2.473 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNCc1ccccc1F ZINC001284418882 1145851764 /nfs/dbraw/zinc/85/17/64/1145851764.db2.gz VZNREPOAJCBWDY-HNNXBMFYSA-N 0 3 322.424 2.337 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)CN(CC)CC ZINC001284675678 1145888860 /nfs/dbraw/zinc/88/88/60/1145888860.db2.gz LULBTPJTIXXSGQ-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001284723229 1145895482 /nfs/dbraw/zinc/89/54/82/1145895482.db2.gz IZYSUURAIWWEKL-RYUDHWBXSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001284723228 1145895590 /nfs/dbraw/zinc/89/55/90/1145895590.db2.gz IZYSUURAIWWEKL-NEPJUHHUSA-N 0 3 304.356 2.425 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001285378889 1146126450 /nfs/dbraw/zinc/12/64/50/1146126450.db2.gz XKLURCADKQIZPZ-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CCCN1CCC ZINC001285740072 1146309728 /nfs/dbraw/zinc/30/97/28/1146309728.db2.gz VPRUVIWJBBRGMX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001285767155 1146315435 /nfs/dbraw/zinc/31/54/35/1146315435.db2.gz IYDNOLGUJPWFGC-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001286150163 1146464456 /nfs/dbraw/zinc/46/44/56/1146464456.db2.gz WWYXTVGNUUECSC-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001286150165 1146465913 /nfs/dbraw/zinc/46/59/13/1146465913.db2.gz WWYXTVGNUUECSC-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CNCc2cc(OC)no2)C1 ZINC001491838718 1146910511 /nfs/dbraw/zinc/91/05/11/1146910511.db2.gz RKQZKRVHAXPPEF-ZDUSSCGKSA-N 0 3 321.421 2.224 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](NCc2nccn2C)C1 ZINC001491883502 1146952806 /nfs/dbraw/zinc/95/28/06/1146952806.db2.gz VOUBDJQAFIDRTR-UONOGXRCSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H](OC)C(C)C ZINC001492078875 1147086061 /nfs/dbraw/zinc/08/60/61/1147086061.db2.gz YEGGRINTGAPWQP-NEPJUHHUSA-N 0 3 321.259 2.050 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cnsn1 ZINC001492142950 1147094553 /nfs/dbraw/zinc/09/45/53/1147094553.db2.gz XRHXSGKWUUENSD-NSHDSACASA-N 0 3 314.842 2.265 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)SC)C2)CC1 ZINC001316671373 1147147982 /nfs/dbraw/zinc/14/79/82/1147147982.db2.gz ROMBQGWKXPPVJQ-LSDHHAIUSA-N 0 3 308.491 2.464 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)CCC2CC2)cc1C#N ZINC001366274519 1147187838 /nfs/dbraw/zinc/18/78/38/1147187838.db2.gz XNILEJSYHTUFJK-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN CCOCC1(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001366300989 1147198947 /nfs/dbraw/zinc/19/89/47/1147198947.db2.gz NLDLGSQHDXLNCA-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1c(F)cc(C)cc1F ZINC001492331364 1147217184 /nfs/dbraw/zinc/21/71/84/1147217184.db2.gz PWJYXJLJNXWFLU-UHFFFAOYSA-N 0 3 312.360 2.137 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccccc1OCC(C)C ZINC001492458909 1147263767 /nfs/dbraw/zinc/26/37/67/1147263767.db2.gz MOODIBBFQWLJCP-UHFFFAOYSA-N 0 3 302.418 2.406 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001317452178 1147383824 /nfs/dbraw/zinc/38/38/24/1147383824.db2.gz WUTJVRJZLNRZCQ-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2(c3ccccc3C)CCC2)C1 ZINC001317536458 1147554393 /nfs/dbraw/zinc/55/43/93/1147554393.db2.gz WJIRDLPUMNAJEQ-KRWDZBQOSA-N 0 3 310.441 2.488 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)COc2cc(C)ccc2C)C1 ZINC001317536491 1147554829 /nfs/dbraw/zinc/55/48/29/1147554829.db2.gz XBFIYZYYRINROT-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC(C)(C)CC)n1 ZINC001316714170 1147591638 /nfs/dbraw/zinc/59/16/38/1147591638.db2.gz ADFCVLVSWPLYKF-UHFFFAOYSA-N 0 3 320.437 2.290 20 30 DEEDHN CCCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001316787896 1147599802 /nfs/dbraw/zinc/59/98/02/1147599802.db2.gz XINZAYFXZUHANT-HIFRSBDPSA-N 0 3 320.437 2.345 20 30 DEEDHN CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001316787896 1147599804 /nfs/dbraw/zinc/59/98/04/1147599804.db2.gz XINZAYFXZUHANT-HIFRSBDPSA-N 0 3 320.437 2.345 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC001316924850 1147632541 /nfs/dbraw/zinc/63/25/41/1147632541.db2.gz DZKIYKGKDIKBBK-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H](Cc2ccccc2)OC)CC1 ZINC001316938506 1147634905 /nfs/dbraw/zinc/63/49/05/1147634905.db2.gz YHCHYUDPSRGAGE-SFHVURJKSA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](Cc2ccccc2)OC)CC1 ZINC001316938505 1147635009 /nfs/dbraw/zinc/63/50/09/1147635009.db2.gz YHCHYUDPSRGAGE-GOSISDBHSA-N 0 3 316.445 2.353 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001316960025 1147639501 /nfs/dbraw/zinc/63/95/01/1147639501.db2.gz DKZFNVRNPLIIFH-IEBWSBKVSA-N 0 3 321.509 2.369 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001316967599 1147639981 /nfs/dbraw/zinc/63/99/81/1147639981.db2.gz GNPATHFFRGXSSZ-IAGOWNOFSA-N 0 3 321.509 2.369 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2cc(OC)no2)CC1 ZINC001317004321 1147647287 /nfs/dbraw/zinc/64/72/87/1147647287.db2.gz SUINKGKOOWJQCE-UHFFFAOYSA-N 0 3 319.405 2.023 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](OC)C2CC2)CCCC1 ZINC001367151378 1147657299 /nfs/dbraw/zinc/65/72/99/1147657299.db2.gz UCXVQOYBEYIJQG-ZDUSSCGKSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001317116284 1147661558 /nfs/dbraw/zinc/66/15/58/1147661558.db2.gz IXWWOSBNDXXKKO-TXEJJXNPSA-N 0 3 309.435 2.245 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1ccn(C)c1 ZINC001367246856 1147668994 /nfs/dbraw/zinc/66/89/94/1147668994.db2.gz QMZJHPJPZRQMBK-AWEZNQCLSA-N 0 3 310.401 2.052 20 30 DEEDHN Cc1ncoc1CN(C)CCC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001367435353 1147693708 /nfs/dbraw/zinc/69/37/08/1147693708.db2.gz GFTZEKKRKWWVFC-ZDUSSCGKSA-N 0 3 318.421 2.203 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2OC)C1 ZINC001317376817 1147699018 /nfs/dbraw/zinc/69/90/18/1147699018.db2.gz JHDSSHJPKMUCJY-HNNXBMFYSA-N 0 3 318.392 2.394 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001317461355 1147712204 /nfs/dbraw/zinc/71/22/04/1147712204.db2.gz LWKPJTCQYHZEKX-MSOLQXFVSA-N 0 3 316.445 2.443 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001317489026 1147714661 /nfs/dbraw/zinc/71/46/61/1147714661.db2.gz QEIAGUJDGPYTCE-UHFFFAOYSA-N 0 3 301.312 2.338 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCOc1ccc(F)cc1 ZINC001317507749 1147717324 /nfs/dbraw/zinc/71/73/24/1147717324.db2.gz LAJQXSUFYOTFLW-HNNXBMFYSA-N 0 3 306.381 2.361 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)COc1cc(C)ccc1F ZINC001317540529 1147722045 /nfs/dbraw/zinc/72/20/45/1147722045.db2.gz MAGTWWMVYRZWCS-UHFFFAOYSA-N 0 3 320.408 2.364 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(F)cc2ccncc21 ZINC001317540951 1147722453 /nfs/dbraw/zinc/72/24/53/1147722453.db2.gz RPUVVZJWZCAWLM-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(OC(C)C)cn1 ZINC001317545746 1147723311 /nfs/dbraw/zinc/72/33/11/1147723311.db2.gz JCUOZQXXWHTKCF-UHFFFAOYSA-N 0 3 317.433 2.334 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC001317557518 1147724883 /nfs/dbraw/zinc/72/48/83/1147724883.db2.gz BBVBTHQPRAUECN-ZDUSSCGKSA-N 0 3 300.402 2.390 20 30 DEEDHN CN(CCN[C@H]1CCc2c1cc(F)cc2F)C(=O)C#CC1CC1 ZINC001317584395 1147729340 /nfs/dbraw/zinc/72/93/40/1147729340.db2.gz BBGFEMNFHIYMCN-KRWDZBQOSA-N 0 3 318.367 2.414 20 30 DEEDHN C#CCCN[C@H](CNC(=O)Cc1c(C)n[nH]c1C)c1ccccc1 ZINC001317727081 1147747596 /nfs/dbraw/zinc/74/75/96/1147747596.db2.gz JTNILKTVCYVUEL-GOSISDBHSA-N 0 3 324.428 2.039 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H](NCCO)c1ccccc1)c1ccccc1 ZINC001317728255 1147747879 /nfs/dbraw/zinc/74/78/79/1147747879.db2.gz IEAQGLTXFJNXGM-MOPGFXCFSA-N 0 3 324.424 2.396 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)C2=COCCC2)C1 ZINC001317754467 1147749185 /nfs/dbraw/zinc/74/91/85/1147749185.db2.gz RPTRFAPXVGWUIA-KRWDZBQOSA-N 0 3 322.449 2.196 20 30 DEEDHN C=CCC(CC=C)C(=O)N(C)CCN1CCN(C(C)C)CC1 ZINC001317818381 1147755318 /nfs/dbraw/zinc/75/53/18/1147755318.db2.gz AUWYOBPTEXOHHP-UHFFFAOYSA-N 0 3 307.482 2.239 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001317853337 1147757774 /nfs/dbraw/zinc/75/77/74/1147757774.db2.gz KVHTUSMARXSUCO-XDTXHMCESA-N 0 3 312.841 2.110 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC001317926256 1147761137 /nfs/dbraw/zinc/76/11/37/1147761137.db2.gz ZJPVQYPWMQBMKB-SJLPKXTDSA-N 0 3 314.429 2.457 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001317932230 1147761720 /nfs/dbraw/zinc/76/17/20/1147761720.db2.gz WHZDUQHTMKFRBR-JKSUJKDBSA-N 0 3 316.449 2.001 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCn2cc(Cl)cn2)C1 ZINC001317955340 1147763094 /nfs/dbraw/zinc/76/30/94/1147763094.db2.gz KUIUGXMRBXCEDB-CQSZACIVSA-N 0 3 310.829 2.083 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001318197909 1147794691 /nfs/dbraw/zinc/79/46/91/1147794691.db2.gz OKFACJOPCGQMMA-SZMVWBNQSA-N 0 3 318.461 2.280 20 30 DEEDHN C[C@@H]1CCc2nc(CNC3CCN(CC#N)CC3)sc2C1 ZINC001324642619 1147824895 /nfs/dbraw/zinc/82/48/95/1147824895.db2.gz OQJPJVZLKPAGJY-GFCCVEGCSA-N 0 3 304.463 2.345 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001325104674 1147876046 /nfs/dbraw/zinc/87/60/46/1147876046.db2.gz RXFBDYJVKGPRJH-UHFFFAOYSA-N 0 3 315.461 2.262 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)c2cc(C)oc2C)C1 ZINC001325817398 1148003704 /nfs/dbraw/zinc/00/37/04/1148003704.db2.gz HYMZRTCNBWPDQN-SFHVURJKSA-N 0 3 320.433 2.419 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1 ZINC001325873241 1148011553 /nfs/dbraw/zinc/01/15/53/1148011553.db2.gz FMAUZGCWRPKLBD-HOTGVXAUSA-N 0 3 304.390 2.161 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001325881794 1148013462 /nfs/dbraw/zinc/01/34/62/1148013462.db2.gz YFXRLIMHARWJGI-CHWSQXEVSA-N 0 3 319.323 2.236 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cn3c(n2)CCC3)cc1 ZINC001326468410 1148108386 /nfs/dbraw/zinc/10/83/86/1148108386.db2.gz MDLOMLVVZVDUBJ-CQSZACIVSA-N 0 3 322.412 2.043 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccncn2)cc1 ZINC001326478584 1148108732 /nfs/dbraw/zinc/10/87/32/1148108732.db2.gz CUOCVXZNCPXQCT-AWEZNQCLSA-N 0 3 308.385 2.081 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)NCC(C)C ZINC001326691359 1148205014 /nfs/dbraw/zinc/20/50/14/1148205014.db2.gz OHTWAELXCSURAT-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCCC[C@@H]2C)CCC1 ZINC001326875567 1148278718 /nfs/dbraw/zinc/27/87/18/1148278718.db2.gz NLBNONFDTAOUKM-JKSUJKDBSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(OC(C)C)cn2)CCC1 ZINC001326938566 1148295825 /nfs/dbraw/zinc/29/58/25/1148295825.db2.gz YKDAPXFXYBEAJU-UHFFFAOYSA-N 0 3 315.417 2.134 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc([C@H](C)CC)cc2)CCO1 ZINC001327081337 1148322091 /nfs/dbraw/zinc/32/20/91/1148322091.db2.gz OJLXWSWKZQOMOT-CRAIPNDOSA-N 0 3 314.429 2.264 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1 ZINC001327080648 1148322218 /nfs/dbraw/zinc/32/22/18/1148322218.db2.gz LTBWZXIUSHNXOU-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1coc(Br)c1 ZINC001327212787 1148348649 /nfs/dbraw/zinc/34/86/49/1148348649.db2.gz IMFPLXJXDUTVAO-UHFFFAOYSA-N 0 3 313.195 2.069 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCC[C@@H](C)C1 ZINC000612121487 361751404 /nfs/dbraw/zinc/75/14/04/361751404.db2.gz VWBBQCPNVYBQAV-VYDXJSESSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H]1CCSCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000278495830 214190063 /nfs/dbraw/zinc/19/00/63/214190063.db2.gz ACPZHMXQRHQBHB-HIFRSBDPSA-N 0 3 306.431 2.125 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278494119 214191234 /nfs/dbraw/zinc/19/12/34/214191234.db2.gz MORVKZOZCAKNQK-OAHLLOKOSA-N 0 3 306.450 2.467 20 30 DEEDHN N#Cc1ccc(CN2CCN(C[C@@H]3CCSC3)CC2)cc1 ZINC000278518209 214206129 /nfs/dbraw/zinc/20/61/29/214206129.db2.gz XSTBHGBDWDFXIP-KRWDZBQOSA-N 0 3 301.459 2.429 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@H](C)COC ZINC000278663084 214310010 /nfs/dbraw/zinc/31/00/10/214310010.db2.gz NGCUPWVJNVNRTC-CRAIPNDOSA-N 0 3 320.433 2.183 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CO[C@H](C)COC ZINC000278709854 214344442 /nfs/dbraw/zinc/34/44/42/214344442.db2.gz QRMXDYMNEBBNRA-NVXWUHKLSA-N 0 3 323.433 2.096 20 30 DEEDHN CC[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1 ZINC000278722318 214354305 /nfs/dbraw/zinc/35/43/05/214354305.db2.gz MGMIXURQTRSOMG-HNNXBMFYSA-N 0 3 306.431 2.424 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000352574410 404467431 /nfs/dbraw/zinc/46/74/31/404467431.db2.gz GXRHFYBGIUOOKE-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN CC[C@H](NC(=O)C(C)C#N)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000339479050 529546150 /nfs/dbraw/zinc/54/61/50/529546150.db2.gz PCBUMDUEOCCRNF-VNQPRFMTSA-N 0 3 311.389 2.230 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H]2CCC[C@@H]21 ZINC000625345777 365739679 /nfs/dbraw/zinc/73/96/79/365739679.db2.gz ZABQKQNHKQQFFP-PBHICJAKSA-N 0 3 308.381 2.160 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cc(C)c(Cl)cc1C ZINC001480516544 1151837064 /nfs/dbraw/zinc/83/70/64/1151837064.db2.gz UIKXDJPWSDUQEX-CQSZACIVSA-N 0 3 322.836 2.315 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ncccc1C#N ZINC000302489398 529973512 /nfs/dbraw/zinc/97/35/12/529973512.db2.gz YSQJINFMDYEVHM-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN N#Cc1cc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)ccn1 ZINC000614585347 362414472 /nfs/dbraw/zinc/41/44/72/362414472.db2.gz SOXRNHBNOVRWDY-GOSISDBHSA-N 0 3 304.353 2.049 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@H](c1ccc(CC)cc1)N(CC)CC ZINC000615238751 362564326 /nfs/dbraw/zinc/56/43/26/362564326.db2.gz ZBZGRBUUUMJIJF-IAGOWNOFSA-N 0 3 304.434 2.295 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001421870246 1172070316 /nfs/dbraw/zinc/07/03/16/1172070316.db2.gz WAJBRYPRSOBNQW-UHFFFAOYSA-N 0 3 301.862 2.004 20 30 DEEDHN CC1(C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)OCCO1 ZINC000268738496 186373393 /nfs/dbraw/zinc/37/33/93/186373393.db2.gz PIDVKFASAKIZCS-KRWDZBQOSA-N 0 3 316.401 2.067 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1CCc1ccc(C#N)cc1 ZINC000595480428 358460138 /nfs/dbraw/zinc/46/01/38/358460138.db2.gz JUXCONGUFSDWQX-INIZCTEOSA-N 0 3 313.445 2.286 20 30 DEEDHN [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CCC(OCC2CC2)CC1 ZINC000329633057 539925434 /nfs/dbraw/zinc/92/54/34/539925434.db2.gz WNMLYQPAJBNQHA-ZDUSSCGKSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CCC(OCC2CC2)CC1 ZINC000329633057 539925440 /nfs/dbraw/zinc/92/54/40/539925440.db2.gz WNMLYQPAJBNQHA-ZDUSSCGKSA-N 0 3 318.421 2.072 20 30 DEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N[C@H]1CCOc2ccccc21 ZINC000330175570 539935241 /nfs/dbraw/zinc/93/52/41/539935241.db2.gz JFCYWUQZTTZFAM-OCCSQVGLSA-N 0 3 312.373 2.225 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](O)CC23CCC3)CC1 ZINC000333824382 539972752 /nfs/dbraw/zinc/97/27/52/539972752.db2.gz IGAZQWCDOBZZES-INIZCTEOSA-N 0 3 321.465 2.116 20 30 DEEDHN COc1ccc([C@@H](O)CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174258256 198312073 /nfs/dbraw/zinc/31/20/73/198312073.db2.gz BPNPSIPKWIGZJI-KRWDZBQOSA-N 0 3 312.369 2.399 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CN1C1CC1 ZINC000595552978 358481923 /nfs/dbraw/zinc/48/19/23/358481923.db2.gz BYTBUALZGCCXNU-XJKSGUPXSA-N 0 3 312.417 2.025 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(OC)c(OC)cc2C)CC1 ZINC000057152769 354558190 /nfs/dbraw/zinc/55/81/90/354558190.db2.gz WAPIANWDBXAISG-UHFFFAOYSA-N 0 3 316.401 2.296 20 30 DEEDHN C=CCN(CC=C)C[C@@H](O)COc1c(OC)cccc1OC ZINC000063650956 354651280 /nfs/dbraw/zinc/65/12/80/354651280.db2.gz ILCMRKDBNHFHHB-CQSZACIVSA-N 0 3 307.390 2.118 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCc2cc(F)ccc2N2CCOCC2)C1 ZINC000442794881 283067409 /nfs/dbraw/zinc/06/74/09/283067409.db2.gz QQPDTFZVSNBTHS-XJKSGUPXSA-N 0 3 303.381 2.444 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(=O)N(C)C)cc2)nc(C)n1 ZINC000077559176 355213327 /nfs/dbraw/zinc/21/33/27/355213327.db2.gz CJQPMMBHBXTRBA-OAHLLOKOSA-N 0 3 322.368 2.285 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1[C@@H](C)O ZINC000077283376 355196244 /nfs/dbraw/zinc/19/62/44/355196244.db2.gz VNXJDCHDQCZHIY-UKRRQHHQSA-N 0 3 304.390 2.181 20 30 DEEDHN CCO[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000077318299 355198995 /nfs/dbraw/zinc/19/89/95/355198995.db2.gz UUYNDYGZSNPHOV-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN C=C(Cl)CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000077791967 355229128 /nfs/dbraw/zinc/22/91/28/355229128.db2.gz SPBBPZQCHMCDFQ-UHFFFAOYSA-N 0 3 307.825 2.487 20 30 DEEDHN CN(CCOc1ccccc1C#N)[C@@H](CO)Cc1ccccc1 ZINC000595594492 358495825 /nfs/dbraw/zinc/49/58/25/358495825.db2.gz DOHQCGXKDKCECK-GOSISDBHSA-N 0 3 310.397 2.472 20 30 DEEDHN CN(CCOc1ccc(C#N)cc1)[C@H](CO)Cc1ccccc1 ZINC000595597611 358496351 /nfs/dbraw/zinc/49/63/51/358496351.db2.gz SWOQOBUFLAVVFU-SFHVURJKSA-N 0 3 310.397 2.472 20 30 DEEDHN N#Cc1ccncc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000091744791 355608092 /nfs/dbraw/zinc/60/80/92/355608092.db2.gz CWJYSOOYVNMZOF-MRXNPFEDSA-N 0 3 300.406 2.034 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(CCC)nn2C)CC1 ZINC000091036329 355574776 /nfs/dbraw/zinc/57/47/76/355574776.db2.gz PUCMMEDHPJEOGS-UHFFFAOYSA-N 0 3 305.426 2.145 20 30 DEEDHN COc1ccc(CNCC(C)(C)CO)cc1OCCCC#N ZINC000136078274 355867122 /nfs/dbraw/zinc/86/71/22/355867122.db2.gz KOOVDAGPDPQKFP-UHFFFAOYSA-N 0 3 306.406 2.486 20 30 DEEDHN C=CCC[C@H](NCC(=O)N1CCN(C)CC1)c1ccccc1 ZINC000159947709 355963081 /nfs/dbraw/zinc/96/30/81/355963081.db2.gz NYQOFHAKLSJNIR-KRWDZBQOSA-N 0 3 301.434 2.058 20 30 DEEDHN Cc1ccccc1CN1CCC(NC(=O)NC[C@H](C)C#N)CC1 ZINC000182464900 356128006 /nfs/dbraw/zinc/12/80/06/356128006.db2.gz RXSRKLUYGDGIDQ-CQSZACIVSA-N 0 3 314.433 2.418 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CC[C@H](CO)O2)c(C(F)(F)F)c1 ZINC000353690017 283145957 /nfs/dbraw/zinc/14/59/57/283145957.db2.gz QXIAGLMEAFZGPA-QWHCGFSZSA-N 0 3 314.307 2.207 20 30 DEEDHN N#CCCn1cc(CNCC2(CO)CC2)c(-c2ccccc2)n1 ZINC000304514154 356398603 /nfs/dbraw/zinc/39/86/03/356398603.db2.gz IRRBATKNLVCHPO-UHFFFAOYSA-N 0 3 310.401 2.326 20 30 DEEDHN CC(C)O[C@@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000404727190 283165358 /nfs/dbraw/zinc/16/53/58/283165358.db2.gz YASNDQKXGNJMNY-DLBZAZTESA-N 0 3 318.417 2.187 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CNCCOC1CCCCC1 ZINC000320394888 356444944 /nfs/dbraw/zinc/44/49/44/356444944.db2.gz DWNGFLAFIDPAHL-MRXNPFEDSA-N 0 3 318.417 2.237 20 30 DEEDHN N#Cc1cncc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000401338641 356726539 /nfs/dbraw/zinc/72/65/39/356726539.db2.gz QPBLGAHMKRMZIG-IRXDYDNUSA-N 0 3 319.412 2.307 20 30 DEEDHN N#Cc1ccnc(N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000268500275 283221879 /nfs/dbraw/zinc/22/18/79/283221879.db2.gz QAKUORHQHHPBJI-UHFFFAOYSA-N 0 3 315.377 2.316 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1C#N)COCC2 ZINC000578516854 356830055 /nfs/dbraw/zinc/83/00/55/356830055.db2.gz BXVBUOXXEZVTNR-BBRMVZONSA-N 0 3 312.417 2.089 20 30 DEEDHN CC(C)O[C@@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000579232900 356943073 /nfs/dbraw/zinc/94/30/73/356943073.db2.gz JZHFDEIWPVCXQD-MRXNPFEDSA-N 0 3 301.390 2.386 20 30 DEEDHN CCOc1ccc(OC[C@@H](O)CNCC2(CC#N)CC2)cc1 ZINC000578981272 356901036 /nfs/dbraw/zinc/90/10/36/356901036.db2.gz JVUPIYORBOCIPC-AWEZNQCLSA-N 0 3 304.390 2.108 20 30 DEEDHN COc1ncc([C@H](C)NC2CCN(CC#N)CC2)cc1Cl ZINC000585764778 357352846 /nfs/dbraw/zinc/35/28/46/357352846.db2.gz GJZUCKODPYJVMW-NSHDSACASA-N 0 3 308.813 2.382 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)CCCCCC#N)CC1 ZINC000588351931 357408385 /nfs/dbraw/zinc/40/83/85/357408385.db2.gz RQLBESCWZOTCCB-UHFFFAOYSA-N 0 3 309.454 2.466 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)c1ccco1 ZINC000588724723 357420052 /nfs/dbraw/zinc/42/00/52/357420052.db2.gz AFSHAIRUJIECPI-HEHGZKQESA-N 0 3 322.384 2.356 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cnccc2C#N)C1 ZINC000588757133 357421653 /nfs/dbraw/zinc/42/16/53/357421653.db2.gz VZWFCFGYTZDQDS-QGZVFWFLSA-N 0 3 320.396 2.300 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000589449747 357470603 /nfs/dbraw/zinc/47/06/03/357470603.db2.gz TUVKQLBVVXSTIZ-YOEHRIQHSA-N 0 3 320.396 2.346 20 30 DEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1cc2ccccc2o1 ZINC000590605167 357566364 /nfs/dbraw/zinc/56/63/64/357566364.db2.gz BUYBDPVORZLQBB-DZGCQCFKSA-N 0 3 301.390 2.290 20 30 DEEDHN CCn1ccnc1[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000590777700 357610959 /nfs/dbraw/zinc/61/09/59/357610959.db2.gz BRTCOXHTQKTCFX-AWEZNQCLSA-N 0 3 324.432 2.489 20 30 DEEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OCC ZINC000591591233 357740823 /nfs/dbraw/zinc/74/08/23/357740823.db2.gz HHZVZXDQSNRCDM-ZDUSSCGKSA-N 0 3 305.378 2.444 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000591603808 357741696 /nfs/dbraw/zinc/74/16/96/357741696.db2.gz PKHYOZWZXKHMBY-OLZOCXBDSA-N 0 3 317.393 2.022 20 30 DEEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@H](O)CN(C)CCC#N ZINC000591728032 357754448 /nfs/dbraw/zinc/75/44/48/357754448.db2.gz FEMPMOSHORKAFE-HOCLYGCPSA-N 0 3 319.449 2.398 20 30 DEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1cc2cccc(F)c2o1 ZINC000591763500 357757796 /nfs/dbraw/zinc/75/77/96/357757796.db2.gz OZSXBQGEJKBVED-GXTWGEPZSA-N 0 3 319.380 2.429 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)[C@@H]2C1 ZINC000591873298 357773724 /nfs/dbraw/zinc/77/37/24/357773724.db2.gz JCSRXGJSDUQDTM-CGTJXYLNSA-N 0 3 324.428 2.281 20 30 DEEDHN CCN1CCC[C@@H]1CNc1c(C#N)cnc2ccc(OC)cc21 ZINC000591889846 357781182 /nfs/dbraw/zinc/78/11/82/357781182.db2.gz SPJJBZJGCLQLOF-CQSZACIVSA-N 0 3 310.401 2.433 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3CCCC[C@H]3OC(F)F)cnc12 ZINC000592509850 357890424 /nfs/dbraw/zinc/89/04/24/357890424.db2.gz HBMWZRZHXMGDRE-CHWSQXEVSA-N 0 3 321.331 2.241 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCN1C(=O)NC2(CCCC2)C1=O ZINC000662083316 540326735 /nfs/dbraw/zinc/32/67/35/540326735.db2.gz CKDFNNHGEXKJPG-OKILXGFUSA-N 0 3 303.406 2.034 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(CCO)CC1 ZINC000592888864 357969888 /nfs/dbraw/zinc/96/98/88/357969888.db2.gz YXIGDGLPUDCEKY-SFHVURJKSA-N 0 3 319.445 2.249 20 30 DEEDHN COC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000180004012 199105580 /nfs/dbraw/zinc/10/55/80/199105580.db2.gz JIPULWCKGNOFOT-SJORKVTESA-N 0 3 313.401 2.068 20 30 DEEDHN C=C[C@H](O)C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000666976813 540373455 /nfs/dbraw/zinc/37/34/55/540373455.db2.gz PTTJKGCINKXYCL-OIISXLGYSA-N 0 3 302.418 2.217 20 30 DEEDHN C=CCOc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000180094228 199116738 /nfs/dbraw/zinc/11/67/38/199116738.db2.gz XGKNDEADVGXXKK-GOSISDBHSA-N 0 3 316.445 2.406 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000593648453 358117935 /nfs/dbraw/zinc/11/79/35/358117935.db2.gz YTUAKBJUEFRHIV-HNNXBMFYSA-N 0 3 303.406 2.135 20 30 DEEDHN CC[C@@H](C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000593897592 358167160 /nfs/dbraw/zinc/16/71/60/358167160.db2.gz SKDQQPAFMWZXHK-AWEZNQCLSA-N 0 3 308.385 2.433 20 30 DEEDHN Cc1csc(NC(=O)NC[C@@]2(N(C)C)CCSC2)c1C#N ZINC000594111067 358207689 /nfs/dbraw/zinc/20/76/89/358207689.db2.gz QPCPRZORHUHWRL-AWEZNQCLSA-N 0 3 324.475 2.487 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594204735 358223262 /nfs/dbraw/zinc/22/32/62/358223262.db2.gz XULXACWALVRUEP-HZPDHXFCSA-N 0 3 313.401 2.070 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594196633 358221417 /nfs/dbraw/zinc/22/14/17/358221417.db2.gz LGZBDDJSYCFREQ-IAGOWNOFSA-N 0 3 315.392 2.373 20 30 DEEDHN CN(CCOc1ccc(F)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000594429904 358267688 /nfs/dbraw/zinc/26/76/88/358267688.db2.gz SMELOBYCCILRGK-HNNXBMFYSA-N 0 3 307.369 2.074 20 30 DEEDHN CS(=O)(=O)C1(CNCc2cc(C#N)cs2)CCCCC1 ZINC000594975176 358371947 /nfs/dbraw/zinc/37/19/47/358371947.db2.gz RZLGFMBODLBLOI-UHFFFAOYSA-N 0 3 312.460 2.457 20 30 DEEDHN C[C@H](NC1CCN(CC#N)CC1)c1cncc(Br)c1 ZINC000595016666 358378865 /nfs/dbraw/zinc/37/88/65/358378865.db2.gz IJQQPBHIEBJQKY-NSHDSACASA-N 0 3 323.238 2.483 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000595659149 358514381 /nfs/dbraw/zinc/51/43/81/358514381.db2.gz LGEVPFTUQWYSOG-CVEARBPZSA-N 0 3 322.449 2.076 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618811660 363610419 /nfs/dbraw/zinc/61/04/19/363610419.db2.gz AQSUYCOIFFQFMO-WMLDXEAASA-N 0 3 312.417 2.187 20 30 DEEDHN COC(=O)CCN(CCc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000595326312 358423067 /nfs/dbraw/zinc/42/30/67/358423067.db2.gz ZPSRHSFEXNQZOO-QGZVFWFLSA-N 0 3 316.401 2.145 20 30 DEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)CC1=CCSC1 ZINC000595889666 358573015 /nfs/dbraw/zinc/57/30/15/358573015.db2.gz VAXLTQNXNUFSDW-UHFFFAOYSA-N 0 3 301.415 2.492 20 30 DEEDHN N#Cc1ccc(-c2cc(N3CCN(CC4CC4)CC3)n[nH]2)cc1 ZINC000595726509 358533896 /nfs/dbraw/zinc/53/38/96/358533896.db2.gz OZNCAVIZKXELBR-UHFFFAOYSA-N 0 3 307.401 2.480 20 30 DEEDHN CCc1nc(C#N)cc(N2CCN(CCC(C)(C)C)CC2)n1 ZINC000596087817 358607861 /nfs/dbraw/zinc/60/78/61/358607861.db2.gz OFZCIQDUFHIQAQ-UHFFFAOYSA-N 0 3 301.438 2.469 20 30 DEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000596470329 358693680 /nfs/dbraw/zinc/69/36/80/358693680.db2.gz BPEXYCHMHMCNHD-QGZVFWFLSA-N 0 3 322.412 2.275 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2OC)C1 ZINC000596838647 358772034 /nfs/dbraw/zinc/77/20/34/358772034.db2.gz LNZRGJFCAYEVTN-CYBMUJFWSA-N 0 3 302.378 2.173 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598063814 359083595 /nfs/dbraw/zinc/08/35/95/359083595.db2.gz JAIPLINSIYZEQP-SFHVURJKSA-N 0 3 314.433 2.350 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCN(CCc2ccccc2)CC1 ZINC000598587206 359251974 /nfs/dbraw/zinc/25/19/74/359251974.db2.gz PEVYJTXQCGJGOH-SFHVURJKSA-N 0 3 315.461 2.147 20 30 DEEDHN COc1cc(CN(C)C[C@H](O)CC(C)(C)C#N)cc(OC)c1 ZINC000598587631 359252485 /nfs/dbraw/zinc/25/24/85/359252485.db2.gz SZEGUTHSJBOKMP-CQSZACIVSA-N 0 3 306.406 2.436 20 30 DEEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C[C@H](O)CC(C)(C)C#N ZINC000598616837 359261366 /nfs/dbraw/zinc/26/13/66/359261366.db2.gz ZELCXPJDBDKCKX-OWCLPIDISA-N 0 3 314.433 2.341 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000598618927 359262446 /nfs/dbraw/zinc/26/24/46/359262446.db2.gz SIQMRSJYRFYDKP-MRXNPFEDSA-N 0 3 315.417 2.051 20 30 DEEDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1CO ZINC000598647959 359275033 /nfs/dbraw/zinc/27/50/33/359275033.db2.gz QJNBMHFNNZEWJY-KSSFIOAISA-N 0 3 324.428 2.409 20 30 DEEDHN CN(CCOC(C)(C)C)C[C@H](O)COc1ccccc1C#N ZINC000599317977 359461623 /nfs/dbraw/zinc/46/16/23/359461623.db2.gz DJBWMUKRYWWLBL-HNNXBMFYSA-N 0 3 306.406 2.045 20 30 DEEDHN CCC(C#N)(CC)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000599643307 359553581 /nfs/dbraw/zinc/55/35/81/359553581.db2.gz NWKIHIWNQWYPMC-HUUCEWRRSA-N 0 3 309.454 2.322 20 30 DEEDHN Cn1cc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1C#N ZINC000428541076 237182137 /nfs/dbraw/zinc/18/21/37/237182137.db2.gz OWAPHJZIZYLWKM-ZWKOTPCHSA-N 0 3 313.376 2.292 20 30 DEEDHN C=CCCn1cc(CN(CCN(C)C)Cc2ccsc2)nn1 ZINC000668236562 540622732 /nfs/dbraw/zinc/62/27/32/540622732.db2.gz OJCIHEOBWCCMMG-UHFFFAOYSA-N 0 3 319.478 2.480 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000188084676 200191414 /nfs/dbraw/zinc/19/14/14/200191414.db2.gz GCGMUZPUPUFYDR-HNNXBMFYSA-N 0 3 311.385 2.177 20 30 DEEDHN C[C@@H](CCC#N)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602437558 360371915 /nfs/dbraw/zinc/37/19/15/360371915.db2.gz CATQQXYNOTWYHJ-ZDUSSCGKSA-N 0 3 303.366 2.052 20 30 DEEDHN COc1ccc(N(CC2CC2)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000602592039 360447632 /nfs/dbraw/zinc/44/76/32/360447632.db2.gz GXBIRJHQESOUMA-INIZCTEOSA-N 0 3 301.390 2.459 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1ccccc1 ZINC000602509105 360410280 /nfs/dbraw/zinc/41/02/80/360410280.db2.gz GLXXZPWAADERJQ-CVEARBPZSA-N 0 3 318.417 2.115 20 30 DEEDHN N#Cc1cccc(CNC2CCN(Cc3ccccn3)CC2)n1 ZINC000602516906 360413750 /nfs/dbraw/zinc/41/37/50/360413750.db2.gz STNGFWXJRDTZHS-UHFFFAOYSA-N 0 3 307.401 2.102 20 30 DEEDHN COc1cc(OC)c2c(c1)N(C(=O)[C@H](N)CCCC#N)CCC2 ZINC000602539656 360423629 /nfs/dbraw/zinc/42/36/29/360423629.db2.gz UPTNHGRNZKGBBT-CQSZACIVSA-N 0 3 317.389 2.004 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cn2)CCO1 ZINC000442710514 238066492 /nfs/dbraw/zinc/06/64/92/238066492.db2.gz QBEKXTKSSWCRDH-IIAWOOMASA-N 0 3 300.406 2.089 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)[C@H]2C1 ZINC000603077304 360692264 /nfs/dbraw/zinc/69/22/64/360692264.db2.gz UOOBVEPUTGHCTK-WFASDCNBSA-N 0 3 302.353 2.255 20 30 DEEDHN CC[C@H](N)c1cn(Cc2ccc(C#N)cc2Br)nn1 ZINC000603244303 360762747 /nfs/dbraw/zinc/76/27/47/360762747.db2.gz RWQAPFGHGVLPQQ-LBPRGKRZSA-N 0 3 320.194 2.370 20 30 DEEDHN C/C=C/C[C@@H](CO)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000603437703 360831905 /nfs/dbraw/zinc/83/19/05/360831905.db2.gz RRWPCYOWLJFHTH-IDOMTICXSA-N 0 3 310.401 2.375 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608167922 361181529 /nfs/dbraw/zinc/18/15/29/361181529.db2.gz AAWZPXKDJQJWSK-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000608822218 361270019 /nfs/dbraw/zinc/27/00/19/361270019.db2.gz HFZMAHPEABGWEO-SJORKVTESA-N 0 3 314.433 2.348 20 30 DEEDHN COc1cc2c(cc1CNC1CCN(CC#N)CC1)O[C@@H](C)C2 ZINC000609335069 361302746 /nfs/dbraw/zinc/30/27/46/361302746.db2.gz SEJRTWWJMVYYLN-ZDUSSCGKSA-N 0 3 315.417 2.096 20 30 DEEDHN C[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000609399203 361309605 /nfs/dbraw/zinc/30/96/05/361309605.db2.gz NTHYJDAGHOPROY-CXAGYDPISA-N 0 3 312.417 2.403 20 30 DEEDHN CCN(CCNC(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000610350670 361388764 /nfs/dbraw/zinc/38/87/64/361388764.db2.gz USIKVQNKKQLDOC-ZDUSSCGKSA-N 0 3 300.406 2.403 20 30 DEEDHN CN(CCOC(C)(C)C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000610859761 361478821 /nfs/dbraw/zinc/47/88/21/361478821.db2.gz LLPVCQXQEPWQIE-HNNXBMFYSA-N 0 3 306.406 2.045 20 30 DEEDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000611392228 361588992 /nfs/dbraw/zinc/58/89/92/361588992.db2.gz NOTLFMLXMHXWOM-NVXWUHKLSA-N 0 3 307.401 2.440 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000612038168 361729092 /nfs/dbraw/zinc/72/90/92/361729092.db2.gz UPOFOVWRUJKASD-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN CCCC(=O)NC1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000619620119 363842439 /nfs/dbraw/zinc/84/24/39/363842439.db2.gz UKGWTWGIAGFYGG-UHFFFAOYSA-N 0 3 321.465 2.468 20 30 DEEDHN N#CC1(CCCN2CCN(c3ccncc3)CC2)CCOCC1 ZINC000619620818 363842896 /nfs/dbraw/zinc/84/28/96/363842896.db2.gz XANDYEHTIDFLKL-UHFFFAOYSA-N 0 3 314.433 2.304 20 30 DEEDHN COc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1C#N ZINC000619653805 363848178 /nfs/dbraw/zinc/84/81/78/363848178.db2.gz HJKYURJKWXHMIL-KRWDZBQOSA-N 0 3 315.417 2.303 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(C)c2-c2ccccc2)CC1 ZINC000271839770 209258186 /nfs/dbraw/zinc/25/81/86/209258186.db2.gz YZANPWWXUSKVSN-UHFFFAOYSA-N 0 3 324.428 2.467 20 30 DEEDHN C[C@H]1CN(c2c(C#N)cnc3ccccc32)CCN1CC(C)(C)O ZINC000275443091 212333913 /nfs/dbraw/zinc/33/39/13/212333913.db2.gz FZWOJHPWRNIQJW-AWEZNQCLSA-N 0 3 324.428 2.388 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000676809689 541508397 /nfs/dbraw/zinc/50/83/97/541508397.db2.gz ICNGVXQVQDLKNA-QGZVFWFLSA-N 0 3 313.445 2.377 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCN(c2ccncc2)CC1)OCC ZINC000677297284 541571063 /nfs/dbraw/zinc/57/10/63/541571063.db2.gz HKVRVLFYDGRGJX-MRXNPFEDSA-N 0 3 303.406 2.102 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](CNCc2cc(C)no2)[C@H](C)C1 ZINC001106025746 781960036 /nfs/dbraw/zinc/96/00/36/781960036.db2.gz GARXAIIPESGPRW-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000451494487 243028950 /nfs/dbraw/zinc/02/89/50/243028950.db2.gz KTWLBZDNBQSYOI-LEWSCRJBSA-N 0 3 319.405 2.498 20 30 DEEDHN CCO[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C ZINC000451520813 243055561 /nfs/dbraw/zinc/05/55/61/243055561.db2.gz BXUCNZXNOZLMBN-QILLFSRXSA-N 0 3 318.417 2.045 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cnccc2C)CC1 ZINC000678440773 541729195 /nfs/dbraw/zinc/72/91/95/541729195.db2.gz RJGGBCVOPSWGPR-CQSZACIVSA-N 0 3 302.422 2.401 20 30 DEEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)NC)C2)cc1OC ZINC000093360936 193237571 /nfs/dbraw/zinc/23/75/71/193237571.db2.gz ATPROUYFYUHDMK-OAHLLOKOSA-N 0 3 318.417 2.218 20 30 DEEDHN CCOC[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000265077538 204380997 /nfs/dbraw/zinc/38/09/97/204380997.db2.gz QQAQCUMFBLHSHN-IAGOWNOFSA-N 0 3 318.417 2.046 20 30 DEEDHN C=CCOCCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000679505103 541865465 /nfs/dbraw/zinc/86/54/65/541865465.db2.gz OYEMCWXDWAVVRB-UHFFFAOYSA-N 0 3 319.449 2.482 20 30 DEEDHN C=CCOCCN[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000679575748 541878252 /nfs/dbraw/zinc/87/82/52/541878252.db2.gz AJDHIOIZFWQQMJ-ZDUSSCGKSA-N 0 3 312.435 2.301 20 30 DEEDHN CS[C@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H]1N(C)C ZINC000271682510 209122738 /nfs/dbraw/zinc/12/27/38/209122738.db2.gz ZMVYJNIXWXFCCW-CVEARBPZSA-N 0 3 316.474 2.314 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000454530402 245900724 /nfs/dbraw/zinc/90/07/24/245900724.db2.gz AWINOODBPOFWOG-UHFFFAOYSA-N 0 3 316.380 2.147 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCc2nccnc2C1 ZINC001354319430 1151885167 /nfs/dbraw/zinc/88/51/67/1151885167.db2.gz RZPFTVSPKZHKSX-AWEZNQCLSA-N 0 3 304.438 2.439 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccnn1CC)C(C)C ZINC000681263544 542121345 /nfs/dbraw/zinc/12/13/45/542121345.db2.gz YXIHIAMIGDTLLG-MRXNPFEDSA-N 0 3 304.438 2.331 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000458383776 248286537 /nfs/dbraw/zinc/28/65/37/248286537.db2.gz TYMDHIAIELUBNT-DOTOQJQBSA-N 0 3 319.449 2.133 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000458336698 248266155 /nfs/dbraw/zinc/26/61/55/248266155.db2.gz PVVMNILWCJUKTL-DLBZAZTESA-N 0 3 303.450 2.467 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H](CCO)C(C)C)c(C#N)c1C ZINC000274092056 211346869 /nfs/dbraw/zinc/34/68/69/211346869.db2.gz UCLZCUMYTLLOBC-ZDUSSCGKSA-N 0 3 309.435 2.172 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000106037690 194180576 /nfs/dbraw/zinc/18/05/76/194180576.db2.gz ARFPCFLWWONPNQ-UHFFFAOYSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nsc2NC)CC1 ZINC000106038604 194181446 /nfs/dbraw/zinc/18/14/46/194181446.db2.gz LSEWJUDLFPVFTM-UHFFFAOYSA-N 0 3 308.451 2.264 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC[C@@H](O)CC)C(C)C ZINC000268863981 207034923 /nfs/dbraw/zinc/03/49/23/207034923.db2.gz RJVHCKRFBVVDFN-JKSUJKDBSA-N 0 3 311.470 2.145 20 30 DEEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000065424216 184341805 /nfs/dbraw/zinc/34/18/05/184341805.db2.gz DJNGPOYTRWVCIJ-ZDUSSCGKSA-N 0 3 301.390 2.386 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(CC)ncnc2CC)[C@H]1C ZINC001088865474 781974135 /nfs/dbraw/zinc/97/41/35/781974135.db2.gz PRNSSCUTQCVYJD-CJNGLKHVSA-N 0 3 316.449 2.370 20 30 DEEDHN Cc1cc(C#N)nc(NCC2CCN(c3ccncc3)CC2)n1 ZINC000286513046 219029146 /nfs/dbraw/zinc/02/91/46/219029146.db2.gz NRZQZKBALDPUMT-UHFFFAOYSA-N 0 3 308.389 2.380 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000264783904 533135505 /nfs/dbraw/zinc/13/55/05/533135505.db2.gz PZYZPFHYYZEDQQ-LSDHHAIUSA-N 0 3 302.422 2.308 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000289708878 221170967 /nfs/dbraw/zinc/17/09/67/221170967.db2.gz YLMWRHPCSQMMMQ-HNNXBMFYSA-N 0 3 321.808 2.291 20 30 DEEDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3ccccc3C#N)C2)c1 ZINC000289828243 221252482 /nfs/dbraw/zinc/25/24/82/221252482.db2.gz JOZICWNYEDLNJV-INIZCTEOSA-N 0 3 323.400 2.339 20 30 DEEDHN C=Cn1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000289866667 221279957 /nfs/dbraw/zinc/27/99/57/221279957.db2.gz RBADQLGDJVSNCO-UHFFFAOYSA-N 0 3 309.417 2.419 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@H](CO)C2CCCCC2)c1 ZINC000543839182 285321153 /nfs/dbraw/zinc/32/11/53/285321153.db2.gz QDOMVPZJOKOCOF-MRXNPFEDSA-N 0 3 301.390 2.028 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000121564626 195306281 /nfs/dbraw/zinc/30/62/81/195306281.db2.gz ADTHVINHQZZGLW-OAHLLOKOSA-N 0 3 311.389 2.071 20 30 DEEDHN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N1CCC(C)CC1 ZINC000329873105 533362311 /nfs/dbraw/zinc/36/23/11/533362311.db2.gz DNACPJQCGNOSPG-ZDUSSCGKSA-N 0 3 306.410 2.091 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(C)CCN1CCCC1 ZINC000546002535 285472639 /nfs/dbraw/zinc/47/26/39/285472639.db2.gz JTGBQSKSNSMNSA-UHFFFAOYSA-N 0 3 302.378 2.126 20 30 DEEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000355340045 133019123 /nfs/dbraw/zinc/01/91/23/133019123.db2.gz NSCGTONARYQPDD-SFHVURJKSA-N 0 3 321.380 2.377 20 30 DEEDHN Cn1cc(-c2ncc(CNCCc3cccc(C#N)c3)cn2)cn1 ZINC000368529669 133276651 /nfs/dbraw/zinc/27/66/51/133276651.db2.gz DOJSWVSGAGJUEK-UHFFFAOYSA-N 0 3 318.384 2.081 20 30 DEEDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cccc(C#N)c1 ZINC000376520472 133298875 /nfs/dbraw/zinc/29/88/75/133298875.db2.gz KVJHFMYXRVVOPL-DYVFJYSZSA-N 0 3 310.401 2.475 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCn1nc(C(F)(F)F)cc1C ZINC001354747485 1151932626 /nfs/dbraw/zinc/93/26/26/1151932626.db2.gz KZQVXZZZVVJUMW-NSHDSACASA-N 0 3 318.343 2.010 20 30 DEEDHN Cc1ccc(OC[C@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000563952110 292081566 /nfs/dbraw/zinc/08/15/66/292081566.db2.gz BPNVFPJIRVQONU-CYBMUJFWSA-N 0 3 302.399 2.458 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000191664618 145062410 /nfs/dbraw/zinc/06/24/10/145062410.db2.gz DDNZZDFGSLNLIW-SFHVURJKSA-N 0 3 315.417 2.370 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000551779551 285906205 /nfs/dbraw/zinc/90/62/05/285906205.db2.gz BLFBEPNCFQEOSG-CYBMUJFWSA-N 0 3 300.406 2.064 20 30 DEEDHN N#Cc1ccc(OCCN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000346477889 146089267 /nfs/dbraw/zinc/08/92/67/146089267.db2.gz FKAGOYIAWZRWSE-GOSISDBHSA-N 0 3 309.369 2.485 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000358490700 147143736 /nfs/dbraw/zinc/14/37/36/147143736.db2.gz DBDLIPUZCWBXLD-CYBMUJFWSA-N 0 3 300.406 2.182 20 30 DEEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000358793793 147206283 /nfs/dbraw/zinc/20/62/83/147206283.db2.gz ROZLFHXQNXHXOD-AGIUHOORSA-N 0 3 317.389 2.063 20 30 DEEDHN N#Cc1csc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000372341175 148196586 /nfs/dbraw/zinc/19/65/86/148196586.db2.gz ZEIIWFJGUCOPNB-QLPKVWCKSA-N 0 3 323.421 2.480 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000374628507 148269814 /nfs/dbraw/zinc/26/98/14/148269814.db2.gz ZEYLAGDVDATVII-ROUUACIJSA-N 0 3 300.402 2.340 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000374628505 148270123 /nfs/dbraw/zinc/27/01/23/148270123.db2.gz ZEYLAGDVDATVII-MSOLQXFVSA-N 0 3 300.402 2.340 20 30 DEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CCOC2(CCC2)C1 ZINC000329902798 404488080 /nfs/dbraw/zinc/48/80/80/404488080.db2.gz HXADVEMYSWQVTP-UONOGXRCSA-N 0 3 318.421 2.051 20 30 DEEDHN [O-]C(N[C@@H]1CCOC2(CCC2)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329902798 404488091 /nfs/dbraw/zinc/48/80/91/404488091.db2.gz HXADVEMYSWQVTP-UONOGXRCSA-N 0 3 318.421 2.051 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nc(C)ccc2OC)CC1 ZINC000127328228 401729341 /nfs/dbraw/zinc/72/93/41/401729341.db2.gz AEKSFSUJXJEPPN-UHFFFAOYSA-N 0 3 304.394 2.171 20 30 DEEDHN C=CCOc1cccc(CN2CCC(N3CCNC3=O)CC2)c1 ZINC000127605666 401742076 /nfs/dbraw/zinc/74/20/76/401742076.db2.gz GJVGHEVOVLYAAN-UHFFFAOYSA-N 0 3 315.417 2.241 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000127612548 401742204 /nfs/dbraw/zinc/74/22/04/401742204.db2.gz MFXBTIGURBVNGM-KRWDZBQOSA-N 0 3 319.449 2.051 20 30 DEEDHN C=CC1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000111259595 401705194 /nfs/dbraw/zinc/70/51/94/401705194.db2.gz YYBPWXITRJCYBT-INIZCTEOSA-N 0 3 319.401 2.111 20 30 DEEDHN N#CCOc1ccc(CC(=O)NCCN2CCCCCC2)cc1 ZINC000111562893 401717764 /nfs/dbraw/zinc/71/77/64/401717764.db2.gz BQYCBEICQBQHSX-UHFFFAOYSA-N 0 3 315.417 2.124 20 30 DEEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCc2ccccc2C1 ZINC000114489084 401801822 /nfs/dbraw/zinc/80/18/22/401801822.db2.gz HXDANLGJEZPWSF-GOSISDBHSA-N 0 3 324.428 2.132 20 30 DEEDHN CC(C)[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000114730075 401808597 /nfs/dbraw/zinc/80/85/97/401808597.db2.gz ZCEILAHWLZZYMQ-INIZCTEOSA-N 0 3 304.438 2.400 20 30 DEEDHN CCC1(CO)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000127773551 401750090 /nfs/dbraw/zinc/75/00/90/401750090.db2.gz VLXZUKOMDNXGJF-UHFFFAOYSA-N 0 3 321.446 2.433 20 30 DEEDHN CC[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000076072426 401781483 /nfs/dbraw/zinc/78/14/83/401781483.db2.gz YXCCDEKXSQBOCB-HOCLYGCPSA-N 0 3 306.431 2.125 20 30 DEEDHN CCN1CCCC[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130312307 401826997 /nfs/dbraw/zinc/82/69/97/401826997.db2.gz QFFGVLWBGOIPQI-QGZVFWFLSA-N 0 3 313.401 2.022 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000024750349 401830291 /nfs/dbraw/zinc/83/02/91/401830291.db2.gz FAQRPJCDQWGZNS-ZFWWWQNUSA-N 0 3 303.406 2.374 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115554064 401831215 /nfs/dbraw/zinc/83/12/15/401831215.db2.gz DCWKUODVNSASFF-DZKIICNBSA-N 0 3 315.417 2.265 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)nn(C)c1C)C(C)C ZINC000078619532 401859136 /nfs/dbraw/zinc/85/91/36/401859136.db2.gz LODQPMYVBKREHC-INIZCTEOSA-N 0 3 318.465 2.465 20 30 DEEDHN CC(C)C[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000119131673 401927741 /nfs/dbraw/zinc/92/77/41/401927741.db2.gz DLCRINQMOGQWNE-INIZCTEOSA-N 0 3 304.438 2.400 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000135155438 401928428 /nfs/dbraw/zinc/92/84/28/401928428.db2.gz OFDGTEZVZVPGNB-QGZVFWFLSA-N 0 3 305.422 2.241 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2c(CC)noc2CC)CC1 ZINC000087318082 401930760 /nfs/dbraw/zinc/93/07/60/401930760.db2.gz WWTKDECOMKBWLH-UHFFFAOYSA-N 0 3 305.422 2.109 20 30 DEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ncc(C)s2)CC1 ZINC000079748046 401880653 /nfs/dbraw/zinc/88/06/53/401880653.db2.gz KERXSWJJDFWVFA-UHFFFAOYSA-N 0 3 305.447 2.148 20 30 DEEDHN O=C(NCC1(N2CCCC2)CCOCC1)C1CCC(=O)CC1 ZINC000329904153 404489532 /nfs/dbraw/zinc/48/95/32/404489532.db2.gz QWQGCUCXFTXIBM-UHFFFAOYSA-N 0 3 308.422 2.347 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000133842789 401894926 /nfs/dbraw/zinc/89/49/26/401894926.db2.gz FORVGCROAWDNNX-CVEARBPZSA-N 0 3 300.406 2.425 20 30 DEEDHN C[C@@H](O)[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000089932933 401974449 /nfs/dbraw/zinc/97/44/49/401974449.db2.gz FQPYVIGPUPBWCQ-YPMHNXCESA-N 0 3 307.419 2.041 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@H](OCCOCC)C2)cc1 ZINC000092067486 402001508 /nfs/dbraw/zinc/00/15/08/402001508.db2.gz FMBVKRYTXNXKQU-SFHVURJKSA-N 0 3 303.402 2.326 20 30 DEEDHN CS(=O)(=O)Cc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000048779859 402008073 /nfs/dbraw/zinc/00/80/73/402008073.db2.gz OEYJCNCUMKBUSV-UHFFFAOYSA-N 0 3 314.410 2.393 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@H]1c1cccn1C ZINC000092798908 402009332 /nfs/dbraw/zinc/00/93/32/402009332.db2.gz SMULKDDSXSCILB-INIZCTEOSA-N 0 3 302.422 2.314 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000120994303 402010215 /nfs/dbraw/zinc/01/02/15/402010215.db2.gz XHTOAZKWPJDLOK-KRWDZBQOSA-N 0 3 302.418 2.158 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[nH]1 ZINC000152296056 402087651 /nfs/dbraw/zinc/08/76/51/402087651.db2.gz YEKDXMUHOFQMHV-KRWDZBQOSA-N 0 3 308.385 2.453 20 30 DEEDHN Cc1n[nH]cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122843456 402097810 /nfs/dbraw/zinc/09/78/10/402097810.db2.gz JCOUYSKTYOMTQX-UHFFFAOYSA-N 0 3 309.417 2.298 20 30 DEEDHN CN(C)CCOc1ccccc1CNC(=O)c1cccc(C#N)c1 ZINC000122878114 402099545 /nfs/dbraw/zinc/09/95/45/402099545.db2.gz CZDBPZVQNBKGPD-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN N#Cc1ccsc1N1CC[C@@H](N2C[C@@H]3CCC[C@@H]3C2)C1=O ZINC000152707242 402104715 /nfs/dbraw/zinc/10/47/15/402104715.db2.gz SICTYPWQOOUJOO-HZSPNIEDSA-N 0 3 301.415 2.457 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccnn1)C(C)C ZINC000151907869 402064801 /nfs/dbraw/zinc/06/48/01/402064801.db2.gz BXGFDZZPZYKIKK-CQSZACIVSA-N 0 3 303.410 2.297 20 30 DEEDHN CSC[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000066831421 402143233 /nfs/dbraw/zinc/14/32/33/402143233.db2.gz PLITWGHOZGXSIX-AWEZNQCLSA-N 0 3 319.474 2.448 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cnc12 ZINC000566242193 292220731 /nfs/dbraw/zinc/22/07/31/292220731.db2.gz HTXOCPWBXSWLMH-ARFHVFGLSA-N 0 3 323.400 2.038 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cscn1 ZINC000102990368 402175947 /nfs/dbraw/zinc/17/59/47/402175947.db2.gz NAQWPMIGRGBINA-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C=CCOc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000106380474 402213449 /nfs/dbraw/zinc/21/34/49/402213449.db2.gz QXXLKPVRTASUMH-SFHVURJKSA-N 0 3 302.418 2.204 20 30 DEEDHN C=CCC[C@@H](C)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000154609855 402221424 /nfs/dbraw/zinc/22/14/24/402221424.db2.gz GFLOKJHMZFVTPH-CYBMUJFWSA-N 0 3 324.446 2.012 20 30 DEEDHN CCN(CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000108645147 402259060 /nfs/dbraw/zinc/25/90/60/402259060.db2.gz CWPYETDSLCBVOU-UHFFFAOYSA-N 0 3 302.422 2.384 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CSCc2cccnc2)CC1 ZINC000106034743 402211947 /nfs/dbraw/zinc/21/19/47/402211947.db2.gz WLMPDDUTQSFMLG-UHFFFAOYSA-N 0 3 319.474 2.472 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccccc2OC)CC1 ZINC000106039916 402212226 /nfs/dbraw/zinc/21/22/26/402212226.db2.gz YVDOCXVQTGIFMO-UHFFFAOYSA-N 0 3 318.417 2.231 20 30 DEEDHN N#C[C@@H]1CCC[C@@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1 ZINC000185807107 402378741 /nfs/dbraw/zinc/37/87/41/402378741.db2.gz KHPADZNMQFXIIZ-UKRRQHHQSA-N 0 3 301.390 2.184 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)C2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000176684284 402328232 /nfs/dbraw/zinc/32/82/32/402328232.db2.gz INTQKJFHGOLUAG-HZPDHXFCSA-N 0 3 321.465 2.466 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCOCC2(CCOCC2)C1 ZINC000186327827 402421401 /nfs/dbraw/zinc/42/14/01/402421401.db2.gz BQRMPFSERCGXKX-UHFFFAOYSA-N 0 3 300.402 2.496 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)CC2(O)CCCCCC2)CC1 ZINC000187040086 402479731 /nfs/dbraw/zinc/47/97/31/402479731.db2.gz PTBDMTCQHUNFHH-UHFFFAOYSA-N 0 3 323.481 2.364 20 30 DEEDHN C[C@H](NC(=O)c1ccc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000187200401 402487771 /nfs/dbraw/zinc/48/77/71/402487771.db2.gz SUEXVVMHVUPLNY-SUMWQHHRSA-N 0 3 308.385 2.374 20 30 DEEDHN C=CC[C@H](C(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000189687901 402552581 /nfs/dbraw/zinc/55/25/81/402552581.db2.gz HAHFJCGPNLTWCJ-SFHVURJKSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(OC)cccc2OC)CC1 ZINC000171565885 402595363 /nfs/dbraw/zinc/59/53/63/402595363.db2.gz BLCMOMAVMHBFNQ-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN Cn1cc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N ZINC000191068525 402639934 /nfs/dbraw/zinc/63/99/34/402639934.db2.gz DXTREMIQLICPKX-AWEZNQCLSA-N 0 3 318.421 2.386 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@H](CCO)C1CCCCC1 ZINC000181493360 402647440 /nfs/dbraw/zinc/64/74/40/402647440.db2.gz BVNCFASLBHGOPZ-CQSZACIVSA-N 0 3 321.446 2.479 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)OCc2ccccc2)CC1 ZINC000181675252 402653748 /nfs/dbraw/zinc/65/37/48/402653748.db2.gz YVCKQNRORFTGRW-UHFFFAOYSA-N 0 3 303.406 2.410 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2nccn2-c2ccccc2)CC1 ZINC000192010817 402704762 /nfs/dbraw/zinc/70/47/62/402704762.db2.gz XBTVWHLOZZOFNG-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191341298 402662026 /nfs/dbraw/zinc/66/20/26/402662026.db2.gz PSGUUSXGIHSGEV-HNNXBMFYSA-N 0 3 312.421 2.017 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)o1)N1CCN(c2ccccc2)CC1 ZINC000174268745 402734548 /nfs/dbraw/zinc/73/45/48/402734548.db2.gz OEZREAFEQASPBN-MRXNPFEDSA-N 0 3 324.428 2.452 20 30 DEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000193035977 402761523 /nfs/dbraw/zinc/76/15/23/402761523.db2.gz ODEAPLRNLXKJLZ-GRYCIOLGSA-N 0 3 303.328 2.212 20 30 DEEDHN C#CCSCCN[C@@H](C)c1ccccc1OCC(=O)OC ZINC000183777145 402796868 /nfs/dbraw/zinc/79/68/68/402796868.db2.gz NVSSKGDJQCMWEP-ZDUSSCGKSA-N 0 3 307.415 2.255 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183903552 402804106 /nfs/dbraw/zinc/80/41/06/402804106.db2.gz JRVJAIPTCUMYBV-HOTGVXAUSA-N 0 3 322.449 2.051 20 30 DEEDHN N#Cc1cccc(OCCN2CCOCC3(CCOCC3)C2)c1 ZINC000184097765 402817892 /nfs/dbraw/zinc/81/78/92/402817892.db2.gz GFILKVOSXWSDGC-UHFFFAOYSA-N 0 3 316.401 2.066 20 30 DEEDHN C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N(C)C ZINC000263968509 402825677 /nfs/dbraw/zinc/82/56/77/402825677.db2.gz LHXXACZLRBIVFV-SECBINFHSA-N 0 3 312.320 2.231 20 30 DEEDHN N#Cc1cccc(OCCN2CCC(N3CCCC3=O)CC2)c1 ZINC000264143331 402851280 /nfs/dbraw/zinc/85/12/80/402851280.db2.gz BLHSJQCHJCALPP-UHFFFAOYSA-N 0 3 313.401 2.024 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264291786 402864090 /nfs/dbraw/zinc/86/40/90/402864090.db2.gz RVISZZZEDQETII-INIZCTEOSA-N 0 3 318.417 2.187 20 30 DEEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 ZINC000278534081 402867688 /nfs/dbraw/zinc/86/76/88/402867688.db2.gz FNKBBCFRPZIKSR-KYOSRNDESA-N 0 3 307.419 2.067 20 30 DEEDHN C=CCN1CCC(Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000264468198 402881495 /nfs/dbraw/zinc/88/14/95/402881495.db2.gz RCZMXUSGZAYQKB-UHFFFAOYSA-N 0 3 318.377 2.017 20 30 DEEDHN C[C@@H](NCCCC#N)c1cccc(N2CCCS2(=O)=O)c1 ZINC000271732620 402883475 /nfs/dbraw/zinc/88/34/75/402883475.db2.gz YZJXXQAKMCGSDY-CYBMUJFWSA-N 0 3 307.419 2.181 20 30 DEEDHN C#CCCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000265109976 402894646 /nfs/dbraw/zinc/89/46/46/402894646.db2.gz ZGLXRXJHRRHZDN-KRWDZBQOSA-N 0 3 315.417 2.155 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)c2ccc(CN(C)C)cc2)n1 ZINC000279036012 402897180 /nfs/dbraw/zinc/89/71/80/402897180.db2.gz CAFHWKXCGLVWAA-UHFFFAOYSA-N 0 3 324.428 2.240 20 30 DEEDHN C#CCCOc1ccc(CN[C@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000265707763 402942369 /nfs/dbraw/zinc/94/23/69/402942369.db2.gz UXCQGGPVAXDFMX-INIZCTEOSA-N 0 3 300.402 2.188 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)[C@@H]2C1 ZINC000272509615 402946055 /nfs/dbraw/zinc/94/60/55/402946055.db2.gz WVLZCEOPFTWSBF-IAQYHMDHSA-N 0 3 302.353 2.255 20 30 DEEDHN C#CC[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000272543111 402951141 /nfs/dbraw/zinc/95/11/41/402951141.db2.gz HHBAHEQLJVRVJH-OKZBNKHCSA-N 0 3 311.429 2.487 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]([C@H](C)O)C1 ZINC000272548123 402951524 /nfs/dbraw/zinc/95/15/24/402951524.db2.gz KISSMIWPSFIIGI-KKUMJFAQSA-N 0 3 322.474 2.354 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000279262690 402923905 /nfs/dbraw/zinc/92/39/05/402923905.db2.gz UELIYMUAWXNDGK-QGZVFWFLSA-N 0 3 308.397 2.043 20 30 DEEDHN C[C@@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280719490 403030140 /nfs/dbraw/zinc/03/01/40/403030140.db2.gz YAKCLSLITKGLRH-SJLPKXTDSA-N 0 3 311.385 2.004 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1 ZINC000274489642 403060795 /nfs/dbraw/zinc/06/07/95/403060795.db2.gz NVNRDABZAWPDHY-GYKGCMEESA-N 0 3 303.406 2.270 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)CC(=O)OC)C(C)C ZINC000268234140 403064348 /nfs/dbraw/zinc/06/43/48/403064348.db2.gz VIKRXRVYWMLJMR-CABCVRRESA-N 0 3 310.438 2.000 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@H](COc3ccccc3)C2)C1=O ZINC000281514103 403070403 /nfs/dbraw/zinc/07/04/03/403070403.db2.gz YXNAPYAZAWOCDK-RDJZCZTQSA-N 0 3 300.402 2.174 20 30 DEEDHN C=CCC[C@@H](NC(=O)NCCN(CC)CCO)c1ccccc1 ZINC000274656629 403075724 /nfs/dbraw/zinc/07/57/24/403075724.db2.gz MPAUDWYHXLCCNT-QGZVFWFLSA-N 0 3 319.449 2.307 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cccc(C#N)c3F)[C@H]2C1 ZINC000566642819 292258273 /nfs/dbraw/zinc/25/82/73/292258273.db2.gz NMILXFMOLYGXFI-ULQDDVLXSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(CCO)C1CCC1)C(C)C ZINC000276113694 403146640 /nfs/dbraw/zinc/14/66/40/403146640.db2.gz LYIIMUNEZZSCNS-KRWDZBQOSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(=O)[nH]1)C(C)C ZINC000282573987 403156569 /nfs/dbraw/zinc/15/65/69/403156569.db2.gz WMGXAFHKGXCEMG-OAHLLOKOSA-N 0 3 303.406 2.216 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000283749407 403220355 /nfs/dbraw/zinc/22/03/55/403220355.db2.gz KSBITCUNBDXQAR-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN Cc1cc(NC(=O)c2ccc(CN(C)C)cc2)nn1CCC#N ZINC000271067604 403260437 /nfs/dbraw/zinc/26/04/37/403260437.db2.gz NCBYPDCNEKAMRH-UHFFFAOYSA-N 0 3 311.389 2.419 20 30 DEEDHN Cc1n[nH]cc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271155743 403270108 /nfs/dbraw/zinc/27/01/08/403270108.db2.gz GZYVRERBMFVXTA-UHFFFAOYSA-N 0 3 323.400 2.441 20 30 DEEDHN COC(=O)[C@]12CN(Cc3cc(C#N)n(C)c3)C[C@H]1CCCC2 ZINC000284950933 403273243 /nfs/dbraw/zinc/27/32/43/403273243.db2.gz HONIANNOCALQTC-RHSMWYFYSA-N 0 3 301.390 2.062 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284957847 403274447 /nfs/dbraw/zinc/27/44/47/403274447.db2.gz ZRVBJJCQUAFXBW-DZGCQCFKSA-N 0 3 311.447 2.458 20 30 DEEDHN COCC1(O)CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000271199766 403277635 /nfs/dbraw/zinc/27/76/35/403277635.db2.gz STSROOWPMNNCIP-UHFFFAOYSA-N 0 3 317.433 2.010 20 30 DEEDHN N#Cc1ccc(CNCCn2cc(Br)cn2)s1 ZINC000285377730 403283882 /nfs/dbraw/zinc/28/38/82/403283882.db2.gz CJHJWJNRBBCMEF-UHFFFAOYSA-N 0 3 311.208 2.369 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292143086 403304394 /nfs/dbraw/zinc/30/43/94/403304394.db2.gz MSSGCUVKLTXQLJ-MSOLQXFVSA-N 0 3 300.402 2.340 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000342758400 403338001 /nfs/dbraw/zinc/33/80/01/403338001.db2.gz NRCQBDXTFIMUGD-LJQANCHMSA-N 0 3 314.429 2.314 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ccc(C(N)=O)cn1)C(C)C ZINC000298425264 403379503 /nfs/dbraw/zinc/37/95/03/403379503.db2.gz LUCZONCRVIEPCB-OAHLLOKOSA-N 0 3 302.422 2.291 20 30 DEEDHN C=CC[C@H]1N(C(=O)C(=O)NCCN(CC)CC)CCCC1(C)C ZINC000339582229 403388005 /nfs/dbraw/zinc/38/80/05/403388005.db2.gz NNHLXLDLCNNHLT-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1C#N ZINC000298481015 403392579 /nfs/dbraw/zinc/39/25/79/403392579.db2.gz DOOSRASYFSOBHO-STQMWFEESA-N 0 3 300.406 2.112 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000285850480 403395043 /nfs/dbraw/zinc/39/50/43/403395043.db2.gz PFXKNTCWYBGCSN-WBVHZDCISA-N 0 3 312.413 2.397 20 30 DEEDHN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C#N)c1C ZINC000345784864 403483620 /nfs/dbraw/zinc/48/36/20/403483620.db2.gz DBLPHQDMCNBAAP-SMDDNHRTSA-N 0 3 317.414 2.303 20 30 DEEDHN C=CCOCCN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000293752698 403555475 /nfs/dbraw/zinc/55/54/75/403555475.db2.gz JACLPUJNIUJSLB-AWEZNQCLSA-N 0 3 318.417 2.197 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cc(C)ccc2OC)CC1 ZINC000299158428 403536803 /nfs/dbraw/zinc/53/68/03/403536803.db2.gz PYKURFVMPRLUPH-UHFFFAOYSA-N 0 3 314.429 2.008 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(CC#C)CC1 ZINC000287366903 403584137 /nfs/dbraw/zinc/58/41/37/403584137.db2.gz NYBQGQWAURPODQ-IBGZPJMESA-N 0 3 308.425 2.082 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1sc(C)nc1CC(C)C ZINC000293896934 403593063 /nfs/dbraw/zinc/59/30/63/403593063.db2.gz DXGUUKBOJAPTIE-UHFFFAOYSA-N 0 3 307.463 2.335 20 30 DEEDHN COc1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C2CC2)cc1 ZINC000346953316 403608713 /nfs/dbraw/zinc/60/87/13/403608713.db2.gz WILFBAIQKQFRSO-QGZVFWFLSA-N 0 3 313.401 2.298 20 30 DEEDHN CC(C#N)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000347044500 403613641 /nfs/dbraw/zinc/61/36/41/403613641.db2.gz YGSJDYBJCLYNEH-LLVKDONJSA-N 0 3 318.352 2.098 20 30 DEEDHN CN1CCC[C@@H](N2CCN(c3c(F)cc(C#N)cc3F)CC2)C1 ZINC000301306865 403614176 /nfs/dbraw/zinc/61/41/76/403614176.db2.gz VEXYFTAWMYVCFL-CQSZACIVSA-N 0 3 320.387 2.053 20 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XNPRORWPMJTSKX-HSMVNMDESA-N 0 3 301.390 2.288 20 30 DEEDHN C=CCOCC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000356474260 404545991 /nfs/dbraw/zinc/54/59/91/404545991.db2.gz NUJMVTRKNDGQQH-KRWDZBQOSA-N 0 3 317.433 2.097 20 30 DEEDHN C=C(C)CN(C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000351549951 404638070 /nfs/dbraw/zinc/63/80/70/404638070.db2.gz FANFFYUTNHTTAV-UHFFFAOYSA-N 0 3 301.434 2.233 20 30 DEEDHN COCCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000330283491 404614753 /nfs/dbraw/zinc/61/47/53/404614753.db2.gz WEQLFKCRVQZNMN-DLBZAZTESA-N 0 3 317.433 2.157 20 30 DEEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(C)CC1 ZINC000330511736 404675897 /nfs/dbraw/zinc/67/58/97/404675897.db2.gz BKRRICNVSUAXMB-KRWDZBQOSA-N 0 3 315.417 2.172 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2c3ccccc3nn2C)nc(C)n1 ZINC000357768174 404742721 /nfs/dbraw/zinc/74/27/21/404742721.db2.gz MBDNAIUNPHECQD-CYBMUJFWSA-N 0 3 305.341 2.470 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000358440891 404762314 /nfs/dbraw/zinc/76/23/14/404762314.db2.gz HIQVOTAIJYYOKZ-INIZCTEOSA-N 0 3 319.449 2.351 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC000375888367 404766267 /nfs/dbraw/zinc/76/62/67/404766267.db2.gz GNZLDPIWTUHWRW-LJQANCHMSA-N 0 3 312.461 2.159 20 30 DEEDHN C=CC[C@@H](CO)CN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000353005152 404717324 /nfs/dbraw/zinc/71/73/24/404717324.db2.gz TUVWCXVQYLRTOB-CXAGYDPISA-N 0 3 303.381 2.423 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](CCO)C(C)C)c(C#N)c1C ZINC000358802032 404776204 /nfs/dbraw/zinc/77/62/04/404776204.db2.gz CSBQTXCKHFZXAS-FZMZJTMJSA-N 0 3 307.394 2.092 20 30 DEEDHN C=CCN1CCC(NC(=O)CC(C)(C)CC(=O)OCC)CC1 ZINC000353322069 404801243 /nfs/dbraw/zinc/80/12/43/404801243.db2.gz AAOFGQZNKBZSER-UHFFFAOYSA-N 0 3 310.438 2.123 20 30 DEEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](CO)C(C)C)c1 ZINC000359832720 404806567 /nfs/dbraw/zinc/80/65/67/404806567.db2.gz MFQDIZYFIOBJCY-KRWDZBQOSA-N 0 3 317.433 2.157 20 30 DEEDHN C[C@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)CN1 ZINC000415115861 404810478 /nfs/dbraw/zinc/81/04/78/404810478.db2.gz AJELTUUNTPERRN-UWVGGRQHSA-N 0 3 324.331 2.374 20 30 DEEDHN C=CCCS(=O)(=O)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000360170014 404820677 /nfs/dbraw/zinc/82/06/77/404820677.db2.gz WCUUCXWJXHMOQE-KKUMJFAQSA-N 0 3 300.468 2.230 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000353451379 404834125 /nfs/dbraw/zinc/83/41/25/404834125.db2.gz WTZMSAHRQZUMEV-LZLYRXPVSA-N 0 3 307.482 2.073 20 30 DEEDHN C=CCC[C@H](C)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000451209635 404903036 /nfs/dbraw/zinc/90/30/36/404903036.db2.gz QNXJKGDOIVMMLP-RNODOKPDSA-N 0 3 301.452 2.117 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435051811 404953013 /nfs/dbraw/zinc/95/30/13/404953013.db2.gz DXYXFNJCJLGVGM-HNNXBMFYSA-N 0 3 311.429 2.438 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)CC1 ZINC000353770853 404965540 /nfs/dbraw/zinc/96/55/40/404965540.db2.gz IECWSTOWOVRYMO-ZBFHGGJFSA-N 0 3 306.450 2.394 20 30 DEEDHN CCCC(=O)Nc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424089605 405001906 /nfs/dbraw/zinc/00/19/06/405001906.db2.gz LHNSGUXAPPZSTD-CQSZACIVSA-N 0 3 302.378 2.385 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1OC(F)F ZINC000424104325 405006918 /nfs/dbraw/zinc/00/69/18/405006918.db2.gz UIUPXQRVKKARFF-PWSUYJOCSA-N 0 3 311.332 2.486 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000424109186 405008950 /nfs/dbraw/zinc/00/89/50/405008950.db2.gz ZKWZISNAXUCJNW-DLBZAZTESA-N 0 3 315.417 2.215 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000424116360 405011124 /nfs/dbraw/zinc/01/11/24/405011124.db2.gz BIPNFTUAOAIFPI-SRVKXCTJSA-N 0 3 305.344 2.492 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccnc(C#N)c1 ZINC000367333694 405015704 /nfs/dbraw/zinc/01/57/04/405015704.db2.gz UPNGSMQKAWQQFJ-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN CN(C)[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000424132784 405016676 /nfs/dbraw/zinc/01/66/76/405016676.db2.gz IQSLZAPPRNLTMG-GJZGRUSLSA-N 0 3 322.840 2.080 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000424164357 405027154 /nfs/dbraw/zinc/02/71/54/405027154.db2.gz CDFCEDZIDUNRMT-VIFPVBQESA-N 0 3 307.304 2.460 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000424164357 405027159 /nfs/dbraw/zinc/02/71/59/405027159.db2.gz CDFCEDZIDUNRMT-VIFPVBQESA-N 0 3 307.304 2.460 20 30 DEEDHN CN(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424171053 405028429 /nfs/dbraw/zinc/02/84/29/405028429.db2.gz IRQVPSDHTXWELW-LSDHHAIUSA-N 0 3 322.840 2.080 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1OC(F)(F)F ZINC000424060325 404990505 /nfs/dbraw/zinc/99/05/05/404990505.db2.gz HIMGTMKUVWDQGA-NSHDSACASA-N 0 3 315.295 2.223 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000424071173 404993861 /nfs/dbraw/zinc/99/38/61/404993861.db2.gz UJJCQTJRLQHNOZ-MRXNPFEDSA-N 0 3 301.390 2.119 20 30 DEEDHN COc1ccc(OC(F)F)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424084592 404999490 /nfs/dbraw/zinc/99/94/90/404999490.db2.gz BXRYJTAZXMFFLW-SNVBAGLBSA-N 0 3 313.304 2.256 20 30 DEEDHN C=C(C)COc1cccc(NC(=O)NCCOCCN(C)C)c1 ZINC000361432261 405073169 /nfs/dbraw/zinc/07/31/69/405073169.db2.gz KYENXZGCJRMKFK-UHFFFAOYSA-N 0 3 321.421 2.341 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC000354177668 405083306 /nfs/dbraw/zinc/08/33/06/405083306.db2.gz HXJFPVVEBYDGRU-ZBFHGGJFSA-N 0 3 314.433 2.498 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000367563592 405085296 /nfs/dbraw/zinc/08/52/96/405085296.db2.gz DLAZSCHPTHDKJF-BRWVUGGUSA-N 0 3 313.401 2.211 20 30 DEEDHN COc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)ccc1OCCN(C)C ZINC000416331951 405107750 /nfs/dbraw/zinc/10/77/50/405107750.db2.gz DVJMANZHJUQKDD-PXAZEXFGSA-N 0 3 317.389 2.124 20 30 DEEDHN Cn1cc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)cc1C#N ZINC000361603813 405156972 /nfs/dbraw/zinc/15/69/72/405156972.db2.gz OHMSYFCDOCKFPE-OAHLLOKOSA-N 0 3 309.417 2.419 20 30 DEEDHN Cn1cc(CN2CC[C@H](n3cnc4c3CCCC4)C2)cc1C#N ZINC000361603810 405157081 /nfs/dbraw/zinc/15/70/81/405157081.db2.gz OHMSYFCDOCKFPE-HNNXBMFYSA-N 0 3 309.417 2.419 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000361648619 405181578 /nfs/dbraw/zinc/18/15/78/405181578.db2.gz SWBIQWZASYHYKM-UHFFFAOYSA-N 0 3 305.397 2.312 20 30 DEEDHN C=CCCn1cc(C(=O)N(CCC)CCN2CCCCC2)nn1 ZINC000424849601 405195931 /nfs/dbraw/zinc/19/59/31/405195931.db2.gz YVIJZMKINUECBU-UHFFFAOYSA-N 0 3 319.453 2.192 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CN1C1CC1 ZINC000408422119 405203450 /nfs/dbraw/zinc/20/34/50/405203450.db2.gz DYGBPNBJZPTIQX-XSCHDIRWSA-N 0 3 304.438 2.241 20 30 DEEDHN N#Cc1ccc(OCCN(CCO)[C@@H]2CCCSC2)cc1 ZINC000439004445 405262790 /nfs/dbraw/zinc/26/27/90/405262790.db2.gz QEECUYQEFKPLLL-OAHLLOKOSA-N 0 3 306.431 2.127 20 30 DEEDHN C[C@H]1CN(CCCNc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000425260364 405264671 /nfs/dbraw/zinc/26/46/71/405264671.db2.gz OSHUUCSDKWZQBA-ZDUSSCGKSA-N 0 3 318.377 2.379 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419964275 405275687 /nfs/dbraw/zinc/27/56/87/405275687.db2.gz IQVBFPMUNXJZNN-INIZCTEOSA-N 0 3 323.481 2.215 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000438455070 405247305 /nfs/dbraw/zinc/24/73/05/405247305.db2.gz LUJIDKKGYBGIIN-RDJZCZTQSA-N 0 3 323.481 2.483 20 30 DEEDHN COCCCCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000419396472 405247598 /nfs/dbraw/zinc/24/75/98/405247598.db2.gz ZVLVACZCENUXPA-INIZCTEOSA-N 0 3 301.390 2.022 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCOCC(F)(F)C1 ZINC000425972863 405333043 /nfs/dbraw/zinc/33/30/43/405333043.db2.gz CZPBRGZIJYWXQR-AWEZNQCLSA-N 0 3 308.328 2.253 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](OC)C2CC2)CC1 ZINC000454471886 405350203 /nfs/dbraw/zinc/35/02/03/405350203.db2.gz ZZZAGPIJQQKTNT-XJKSGUPXSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C)cc1Cl ZINC000447162748 405403625 /nfs/dbraw/zinc/40/36/25/405403625.db2.gz LLCTVMVKDGTYNQ-NSHDSACASA-N 0 3 315.822 2.254 20 30 DEEDHN C=CCN(CCOC)Cc1ccc(CN2CCOCC2)cc1 ZINC000420925044 405407006 /nfs/dbraw/zinc/40/70/06/405407006.db2.gz VEVAFZZJOOUBEE-UHFFFAOYSA-N 0 3 304.434 2.153 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cc(C#N)cs1 ZINC000426569669 405369153 /nfs/dbraw/zinc/36/91/53/405369153.db2.gz CMNANNVNRQVBCR-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000421027833 405434899 /nfs/dbraw/zinc/43/48/99/405434899.db2.gz VQECVWZALMKQFY-OAHLLOKOSA-N 0 3 315.417 2.266 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C#N)[nH]c2C)o1 ZINC000448815615 405451749 /nfs/dbraw/zinc/45/17/49/405451749.db2.gz GUAGJVUFSAOXJN-UHFFFAOYSA-N 0 3 314.389 2.300 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000448852828 405455814 /nfs/dbraw/zinc/45/58/14/405455814.db2.gz MJQXZNNNMZKTAK-UHFFFAOYSA-N 0 3 320.433 2.464 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1ccc(C)n1)C(C)C ZINC000448974422 405481358 /nfs/dbraw/zinc/48/13/58/405481358.db2.gz KDBFLZZAJNQSQC-INIZCTEOSA-N 0 3 304.438 2.006 20 30 DEEDHN C[C@@H]1CCN(C)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000430689406 405491323 /nfs/dbraw/zinc/49/13/23/405491323.db2.gz CPOMGWDNJKRZGY-CYBMUJFWSA-N 0 3 303.431 2.468 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnnc3ccccc32)CC1 ZINC000528451803 405613471 /nfs/dbraw/zinc/61/34/71/405613471.db2.gz ZMRXLXZLYGSMHE-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)[C@@H]2C1 ZINC000580436594 405615675 /nfs/dbraw/zinc/61/56/75/405615675.db2.gz DUDSAAQVKXUHMN-SWLSCSKDSA-N 0 3 303.793 2.378 20 30 DEEDHN C[C@H](Cc1ccc(O)cc1)NCc1cnc2c(C#N)cnn2c1 ZINC000557179368 405581579 /nfs/dbraw/zinc/58/15/79/405581579.db2.gz OZFIPGZEVAPTRZ-GFCCVEGCSA-N 0 3 307.357 2.027 20 30 DEEDHN N#Cc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1F ZINC000456842005 405586710 /nfs/dbraw/zinc/58/67/10/405586710.db2.gz QZUYOXAIHFLQMC-UHFFFAOYSA-N 0 3 301.365 2.188 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)CSCc1ccc(C#N)cc1 ZINC000421708019 405600276 /nfs/dbraw/zinc/60/02/76/405600276.db2.gz YWXTZNQHFRWKOG-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(C#N)c(F)c3)C2)C1 ZINC000580526814 405635153 /nfs/dbraw/zinc/63/51/53/405635153.db2.gz FPYRYFVWZCPTFW-INIZCTEOSA-N 0 3 302.353 2.257 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H](C2CC2)C1 ZINC000528433032 405604003 /nfs/dbraw/zinc/60/40/03/405604003.db2.gz QXTAPYKZQXPBEC-OAHLLOKOSA-N 0 3 308.381 2.018 20 30 DEEDHN Cc1cc(C#N)ccc1CN[C@]1(CO)COc2ccccc2C1 ZINC000528645881 405696712 /nfs/dbraw/zinc/69/67/12/405696712.db2.gz ONFFYHUIZXDNRR-LJQANCHMSA-N 0 3 308.381 2.323 20 30 DEEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423176181 405712224 /nfs/dbraw/zinc/71/22/24/405712224.db2.gz FOJKJXYQOYEVRA-ZACQAIPSSA-N 0 3 302.418 2.057 20 30 DEEDHN Cc1cccc(C)c1OCCNCc1cnc2c(C#N)cnn2c1 ZINC000559249972 405726612 /nfs/dbraw/zinc/72/66/12/405726612.db2.gz SZKOBJFQTQWKOT-UHFFFAOYSA-N 0 3 321.384 2.386 20 30 DEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c(F)c1 ZINC000559465793 405740946 /nfs/dbraw/zinc/74/09/46/405740946.db2.gz BRKYJKSZQSUVIE-SJORKVTESA-N 0 3 304.365 2.107 20 30 DEEDHN CCOc1cccc(CCC(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000528912129 405743260 /nfs/dbraw/zinc/74/32/60/405743260.db2.gz BLOALRLDMWFHAC-INIZCTEOSA-N 0 3 314.385 2.349 20 30 DEEDHN CO[C@]1(CNCC#Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000638905807 405751784 /nfs/dbraw/zinc/75/17/84/405751784.db2.gz VVBCOWXLBDZMNO-HNNXBMFYSA-N 0 3 313.319 2.452 20 30 DEEDHN C=C(C)CN(C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC000638910726 405755040 /nfs/dbraw/zinc/75/50/40/405755040.db2.gz USHYCLUGDNDYES-UHFFFAOYSA-N 0 3 304.434 2.406 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2scc(C)c2C#N)C[C@H]1N(C)C ZINC000568764994 292366259 /nfs/dbraw/zinc/36/62/59/292366259.db2.gz YUHDZIACWGOXSL-VXGBXAGGSA-N 0 3 324.475 2.438 20 30 DEEDHN C=CC1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530819209 405866572 /nfs/dbraw/zinc/86/65/72/405866572.db2.gz ZBSBYQHQCDIYTF-LJQANCHMSA-N 0 3 314.429 2.048 20 30 DEEDHN N#CCSCCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000495895640 405938960 /nfs/dbraw/zinc/93/89/60/405938960.db2.gz VJQMYQLYDPCYMD-AWEZNQCLSA-N 0 3 311.451 2.376 20 30 DEEDHN CC(C)(C)OC(=O)N1CC2(C1)CCN(CCOCCC#N)CC2 ZINC000496155932 405954043 /nfs/dbraw/zinc/95/40/43/405954043.db2.gz CVPQHWDQLIYGDQ-UHFFFAOYSA-N 0 3 323.437 2.250 20 30 DEEDHN C=C(Br)CN[C@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000495560754 405922580 /nfs/dbraw/zinc/92/25/80/405922580.db2.gz RSXYCYLEMFBJLD-GHMZBOCLSA-N 0 3 305.216 2.352 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC1(C)COC1)C(C)C ZINC000636573681 406013704 /nfs/dbraw/zinc/01/37/04/406013704.db2.gz DAKPFKBLFFCSPT-INIZCTEOSA-N 0 3 323.481 2.363 20 30 DEEDHN C[C@@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459606724 405982066 /nfs/dbraw/zinc/98/20/66/405982066.db2.gz FLMRPFAIDUAHLR-CZUORRHYSA-N 0 3 321.446 2.285 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000451082586 406043738 /nfs/dbraw/zinc/04/37/38/406043738.db2.gz UTIZOTOJOCNRFA-ULQDDVLXSA-N 0 3 300.402 2.426 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000451082585 406044519 /nfs/dbraw/zinc/04/45/19/406044519.db2.gz UTIZOTOJOCNRFA-IXDOHACOSA-N 0 3 300.402 2.426 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2F)co1 ZINC000515059271 406056743 /nfs/dbraw/zinc/05/67/43/406056743.db2.gz UIPSMAQZLGWGNI-LBPRGKRZSA-N 0 3 302.309 2.440 20 30 DEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cccc(C2CC2)c1 ZINC000564860185 406067261 /nfs/dbraw/zinc/06/72/61/406067261.db2.gz PALVHZJXUGPVAF-KDOFPFPSSA-N 0 3 301.434 2.421 20 30 DEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ncc(C#N)cc1Cl ZINC000532891392 406107966 /nfs/dbraw/zinc/10/79/66/406107966.db2.gz PBDREKYZPVPOAY-LBPRGKRZSA-N 0 3 306.797 2.163 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000517558616 406126892 /nfs/dbraw/zinc/12/68/92/406126892.db2.gz BNQMDAOWKQWFMH-KRWDZBQOSA-N 0 3 319.449 2.030 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634458676 406140466 /nfs/dbraw/zinc/14/04/66/406140466.db2.gz ZYPOWLFHHAXEKJ-AEFFLSMTSA-N 0 3 302.418 2.013 20 30 DEEDHN C=CC[C@H](Cc1ccccc1)NS(=O)(=O)CCCN(C)C ZINC000632459382 406147028 /nfs/dbraw/zinc/14/70/28/406147028.db2.gz JPNVDBABHLRTDQ-MRXNPFEDSA-N 0 3 310.463 2.045 20 30 DEEDHN C[C@@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)CO1 ZINC000567898559 406157100 /nfs/dbraw/zinc/15/71/00/406157100.db2.gz VIWZYZLRBPBCLG-CJNGLKHVSA-N 0 3 311.389 2.126 20 30 DEEDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)CN(C)CCC#N)c1 ZINC000568077391 406190108 /nfs/dbraw/zinc/19/01/08/406190108.db2.gz PZTDKCBXIBCLBB-WBVHZDCISA-N 0 3 319.449 2.331 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@]2(C)OCCc3ccccc32)CC1 ZINC000639687237 406205298 /nfs/dbraw/zinc/20/52/98/406205298.db2.gz DLQHQSIOQIOYHW-LJQANCHMSA-N 0 3 314.429 2.241 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@]2(C)OCCc3ccccc32)CC1 ZINC000639687236 406205639 /nfs/dbraw/zinc/20/56/39/406205639.db2.gz DLQHQSIOQIOYHW-IBGZPJMESA-N 0 3 314.429 2.241 20 30 DEEDHN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CCN1C ZINC000487987316 406281366 /nfs/dbraw/zinc/28/13/66/406281366.db2.gz JTHPGERQXIMWPM-WMLDXEAASA-N 0 3 314.433 2.157 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H](C)C1 ZINC000488772164 406347868 /nfs/dbraw/zinc/34/78/68/406347868.db2.gz SOTWAFOIQNOPQS-ZOWXZIJZSA-N 0 3 315.377 2.028 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000541949440 406302108 /nfs/dbraw/zinc/30/21/08/406302108.db2.gz XPUOJQFJYLOLFM-YCPHGPKFSA-N 0 3 300.406 2.281 20 30 DEEDHN Cc1csc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1C#N ZINC000570388157 406385938 /nfs/dbraw/zinc/38/59/38/406385938.db2.gz PVQRWDKURQTNMF-AAEUAGOBSA-N 0 3 304.419 2.486 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000489394481 406402142 /nfs/dbraw/zinc/40/21/42/406402142.db2.gz CAFKKAXRUVSPFQ-DLBZAZTESA-N 0 3 318.417 2.425 20 30 DEEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000489424079 406405082 /nfs/dbraw/zinc/40/50/82/406405082.db2.gz JALCWQGIEUGANL-HNNXBMFYSA-N 0 3 301.390 2.155 20 30 DEEDHN CC(C#N)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000522984801 406415290 /nfs/dbraw/zinc/41/52/90/406415290.db2.gz OKXYKTZAKFWJBM-ZETCQYMHSA-N 0 3 320.702 2.442 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)C[C@@H]1CC ZINC000570325805 406377034 /nfs/dbraw/zinc/37/70/34/406377034.db2.gz PMHYKANPONPMFU-ZWKOTPCHSA-N 0 3 318.461 2.181 20 30 DEEDHN CC(C)CC[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571085409 406476757 /nfs/dbraw/zinc/47/67/57/406476757.db2.gz AJRUIMCSCSRHBC-ZDUSSCGKSA-N 0 3 309.435 2.141 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1CCCN1CCOC)C1CCCCC1 ZINC000490656029 406479746 /nfs/dbraw/zinc/47/97/46/406479746.db2.gz GWGUQHXXLXVIIE-QGZVFWFLSA-N 0 3 321.465 2.075 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000490656923 406480232 /nfs/dbraw/zinc/48/02/32/406480232.db2.gz OVCXRPFKPQDYBA-INIZCTEOSA-N 0 3 315.392 2.207 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@H](OC)C(CC)CC)CC1 ZINC000490867032 406498792 /nfs/dbraw/zinc/49/87/92/406498792.db2.gz YFHQOXZKFHHXDA-KRWDZBQOSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN(C)CCCN[C@H](Cc1ccccn1)c1cccnc1 ZINC000491209902 406544797 /nfs/dbraw/zinc/54/47/97/406544797.db2.gz NKYCHSGALXSEDB-LJQANCHMSA-N 0 3 308.429 2.305 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cncc(N(C)C)c2)CC1 ZINC000640438067 406503268 /nfs/dbraw/zinc/50/32/68/406503268.db2.gz DVGOMLBDKVXHDP-UHFFFAOYSA-N 0 3 317.437 2.310 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640447457 406506739 /nfs/dbraw/zinc/50/67/39/406506739.db2.gz QIPSLRPABVIIHO-OAHLLOKOSA-N 0 3 303.406 2.102 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000490948022 406509729 /nfs/dbraw/zinc/50/97/29/406509729.db2.gz CNGZECJFOCPOJP-HZPDHXFCSA-N 0 3 306.450 2.040 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccn(C2CCCCC2)n1 ZINC000491349128 406573228 /nfs/dbraw/zinc/57/32/28/406573228.db2.gz HCDKIYLGHVXJNE-UHFFFAOYSA-N 0 3 302.422 2.073 20 30 DEEDHN C#C[C@H](NC[C@@H](O)COc1ccc(CC=C)cc1OC)C(C)C ZINC000491381480 406581424 /nfs/dbraw/zinc/58/14/24/406581424.db2.gz FNHNXEJSAXAZJY-SJORKVTESA-N 0 3 317.429 2.411 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2ccc(OCC)cc2[nH]1 ZINC000491644790 406649219 /nfs/dbraw/zinc/64/92/19/406649219.db2.gz LRBTUPDQYZEBJR-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccccc2OCC=C)CC1 ZINC000491673507 406663179 /nfs/dbraw/zinc/66/31/79/406663179.db2.gz ZWMAIEFYWDMFGN-UHFFFAOYSA-N 0 3 312.413 2.213 20 30 DEEDHN C#CCN(CC)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000491703625 406678053 /nfs/dbraw/zinc/67/80/53/406678053.db2.gz XJMDDQHYJSVDGB-QGZVFWFLSA-N 0 3 310.438 2.094 20 30 DEEDHN C#CCN(C(=O)NCC1(SC)CCN(C)CC1)C1CCCC1 ZINC000491719312 406686371 /nfs/dbraw/zinc/68/63/71/406686371.db2.gz YTXIGOFHQCYBMW-UHFFFAOYSA-N 0 3 323.506 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000491811141 406731373 /nfs/dbraw/zinc/73/13/73/406731373.db2.gz KVHYAKBJLQCEIB-HOTGVXAUSA-N 0 3 323.481 2.082 20 30 DEEDHN CCCCN(C)CCNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491867616 406755416 /nfs/dbraw/zinc/75/54/16/406755416.db2.gz NKKRLLAGTJJRLE-YFHOEESVSA-N 0 3 315.417 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1nc2ccccc2nc1C1CC1 ZINC000491808127 406730187 /nfs/dbraw/zinc/73/01/87/406730187.db2.gz VJEDNTKRGAYDRE-UHFFFAOYSA-N 0 3 322.412 2.192 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000491929657 406780722 /nfs/dbraw/zinc/78/07/22/406780722.db2.gz CUTJTKNRUSEPPT-FRRDWIJNSA-N 0 3 309.410 2.346 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cccc(F)c2)CC1 ZINC000491911070 406774933 /nfs/dbraw/zinc/77/49/33/406774933.db2.gz ZNDWSPBPCIUFDI-FPLPWBNLSA-N 0 3 300.377 2.443 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000641397212 406792956 /nfs/dbraw/zinc/79/29/56/406792956.db2.gz VSEWASZXDSBODX-ZIAGYGMSSA-N 0 3 323.462 2.046 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000556066628 406860468 /nfs/dbraw/zinc/86/04/68/406860468.db2.gz XWVRBPJZVLYBQJ-GOSISDBHSA-N 0 3 322.449 2.098 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cnn(Cc2ccccc2Cl)c1 ZINC000641768858 406888514 /nfs/dbraw/zinc/88/85/14/406888514.db2.gz KAHVIMKBTMUNNY-INIZCTEOSA-N 0 3 317.820 2.449 20 30 DEEDHN N#C[C@@]1(NC(=O)c2ccc(CN3CCCCC3)cc2)CCOC1 ZINC000555366414 406842530 /nfs/dbraw/zinc/84/25/30/406842530.db2.gz GNWAUHUUPWZXRU-SFHVURJKSA-N 0 3 313.401 2.085 20 30 DEEDHN Cc1cc2ncc(C(=O)C(C#N)c3cc(C)nc(C)n3)c(C)n2n1 ZINC000642282713 406918858 /nfs/dbraw/zinc/91/88/58/406918858.db2.gz YFGZMXYUNDBBFV-ZDUSSCGKSA-N 0 3 320.356 2.243 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H](O)CC[C@@H]1C)C(C)C ZINC000645171130 407241762 /nfs/dbraw/zinc/24/17/62/407241762.db2.gz YKDLCEUABNJZJG-ULQDDVLXSA-N 0 3 323.481 2.240 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2-n2cccn2)[C@H]1C ZINC001088882221 782015185 /nfs/dbraw/zinc/01/51/85/782015185.db2.gz FGRXCPMXKYGQHM-ZBFHGGJFSA-N 0 3 310.401 2.251 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130852483 196116550 /nfs/dbraw/zinc/11/65/50/196116550.db2.gz MMDWIKTUCIQJBX-GJZGRUSLSA-N 0 3 324.428 2.189 20 30 DEEDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000131954958 196213750 /nfs/dbraw/zinc/21/37/50/196213750.db2.gz BDVBTNOJZWWIRE-IRXDYDNUSA-N 0 3 310.401 2.237 20 30 DEEDHN C=CCCN1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000132673861 196274760 /nfs/dbraw/zinc/27/47/60/196274760.db2.gz FVXZRXARPPIBBJ-UHFFFAOYSA-N 0 3 303.406 2.347 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cn2)CCO1 ZINC000248705404 225239672 /nfs/dbraw/zinc/23/96/72/225239672.db2.gz ASEIRNJNFQNLMB-VYDXJSESSA-N 0 3 314.433 2.479 20 30 DEEDHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N(C)C[C@@H]1CC=CCC1 ZINC000330819858 226034571 /nfs/dbraw/zinc/03/45/71/226034571.db2.gz FKBPNOKELGNAGW-GHMZBOCLSA-N 0 3 321.343 2.256 20 30 DEEDHN COCCN1CC[C@H](NC(=O)NCc2ccc(Cl)s2)C1 ZINC000330857665 226035758 /nfs/dbraw/zinc/03/57/58/226035758.db2.gz SVLOSYHFJBCSMB-JTQLQIEISA-N 0 3 317.842 2.126 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(CS(C)(=O)=O)c2)CCN1C ZINC000330897074 226042148 /nfs/dbraw/zinc/04/21/48/226042148.db2.gz HGDDYIKCXDDMRO-IUODEOHRSA-N 0 3 324.446 2.019 20 30 DEEDHN C[C@@H]1CC[C@H](N(CCO)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000331206476 226069745 /nfs/dbraw/zinc/06/97/45/226069745.db2.gz YGKXKYPSLLGZDJ-CVEARBPZSA-N 0 3 321.465 2.154 20 30 DEEDHN N#CC1(CCCN2CCC[C@@H](n3cncn3)C2)CCOCC1 ZINC000332135517 226092827 /nfs/dbraw/zinc/09/28/27/226092827.db2.gz KPVWHGQYFXZYAI-OAHLLOKOSA-N 0 3 303.410 2.016 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(CC#N)cc1 ZINC000340163095 226198436 /nfs/dbraw/zinc/19/84/36/226198436.db2.gz WNNYGVCTDCIRDO-UHFFFAOYSA-N 0 3 322.412 2.352 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1 ZINC000378331688 227212799 /nfs/dbraw/zinc/21/27/99/227212799.db2.gz GMYCAWQEWKFVBD-CQSZACIVSA-N 0 3 313.401 2.080 20 30 DEEDHN C[C@](Cc1ccccc1)(NCC(=O)NCC#N)c1ccccc1 ZINC000412099691 227638674 /nfs/dbraw/zinc/63/86/74/227638674.db2.gz QKAPGJQCAZTZAV-LJQANCHMSA-N 0 3 307.397 2.374 20 30 DEEDHN Cc1csc(CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001368902574 1148759063 /nfs/dbraw/zinc/75/90/63/1148759063.db2.gz KILSDUPRARWETF-NSHDSACASA-N 0 3 308.451 2.185 20 30 DEEDHN CN(CCCc1[nH]nc(N)c1C#N)c1ccnc2ccccc21 ZINC000530670955 424847004 /nfs/dbraw/zinc/84/70/04/424847004.db2.gz IQAZAAMQXUDEKE-UHFFFAOYSA-N 0 3 306.373 2.481 20 30 DEEDHN CN(CCNc1ncc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000572150622 424933755 /nfs/dbraw/zinc/93/37/55/424933755.db2.gz UDQPIGKXHCNOEZ-UHFFFAOYSA-N 0 3 306.413 2.986 20 30 DEEDHN C=CCCCCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000376030608 424893515 /nfs/dbraw/zinc/89/35/15/424893515.db2.gz FANBPJXYFJPHOT-UHFFFAOYSA-N 0 3 305.426 2.628 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880668 425047819 /nfs/dbraw/zinc/04/78/19/425047819.db2.gz RZFLVPCTWMDQBY-RISCZKNCSA-N 0 3 309.373 2.187 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880668 425047824 /nfs/dbraw/zinc/04/78/24/425047824.db2.gz RZFLVPCTWMDQBY-RISCZKNCSA-N 0 3 309.373 2.187 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC000450248824 425065864 /nfs/dbraw/zinc/06/58/64/425065864.db2.gz YPYLBICMKDQEFT-CQSZACIVSA-N 0 3 319.409 2.804 20 30 DEEDHN C=CCc1cc(CNCC[C@@]2(O)CCCOC2)cc(OC)c1O ZINC000652039862 425166842 /nfs/dbraw/zinc/16/68/42/425166842.db2.gz QDUYVJRPVFEAFD-SFHVURJKSA-N 0 3 321.417 2.151 20 30 DEEDHN C=CCN1CC[C@H](N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1=O ZINC000656689932 425160154 /nfs/dbraw/zinc/16/01/54/425160154.db2.gz XEGIEFZMWBXKOH-SOUVJXGZSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)CO)CC1 ZINC000664017428 425290107 /nfs/dbraw/zinc/29/01/07/425290107.db2.gz WNFXJABRMLMEPA-NVXWUHKLSA-N 0 3 323.481 2.219 20 30 DEEDHN C=CCCn1cc(CN[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000657327405 425306218 /nfs/dbraw/zinc/30/62/18/425306218.db2.gz MBVBVHLVVQPANY-HRCADAONSA-N 0 3 305.470 2.310 20 30 DEEDHN C[C@H](C(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc(C#N)c1 ZINC000360331590 267133425 /nfs/dbraw/zinc/13/34/25/267133425.db2.gz FJBHWULLKODWAE-GUYCJALGSA-N 0 3 317.458 2.215 20 30 DEEDHN C=CCN(C[C@@H]1CN(c2ccccc2)CCO1)[C@H](C)COC ZINC000661238994 425357285 /nfs/dbraw/zinc/35/72/85/425357285.db2.gz BICRKHACIVBWOZ-SJLPKXTDSA-N 0 3 304.434 2.415 20 30 DEEDHN COc1cc(CNCc2ccc(C#N)cc2)ccc1OCCO ZINC000048784403 267367466 /nfs/dbraw/zinc/36/74/66/267367466.db2.gz XLUBMYYIRHRINS-UHFFFAOYSA-N 0 3 312.369 2.228 20 30 DEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000661379925 425394880 /nfs/dbraw/zinc/39/48/80/425394880.db2.gz JJWYQDNVXHSESL-UONOGXRCSA-N 0 3 315.417 2.401 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661278899 425369383 /nfs/dbraw/zinc/36/93/83/425369383.db2.gz LLOHWAQJOQWRAR-OAGGEKHMSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCOCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661795472 425503383 /nfs/dbraw/zinc/50/33/83/425503383.db2.gz ANUYQCIMIDNITA-INIZCTEOSA-N 0 3 305.422 2.181 20 30 DEEDHN C=CCSc1ccccc1NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000662323605 425623189 /nfs/dbraw/zinc/62/31/89/425623189.db2.gz YZHZJTFOQVZSLC-CHWSQXEVSA-N 0 3 323.437 2.274 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)nc1 ZINC000656228305 425738334 /nfs/dbraw/zinc/73/83/34/425738334.db2.gz VNEQMFBNMZTQDJ-JKSUJKDBSA-N 0 3 314.433 2.426 20 30 DEEDHN C=CCC1(NC(=O)Nc2ccn(CCN(C)C)n2)CCCC1 ZINC000666184121 425713803 /nfs/dbraw/zinc/71/38/03/425713803.db2.gz WPRFJXNHTPYWLP-UHFFFAOYSA-N 0 3 305.426 2.455 20 30 DEEDHN C=CCC1(NC(=O)[C@H]2CNCc3ccccc32)CCOCC1 ZINC000662875778 425753304 /nfs/dbraw/zinc/75/33/04/425753304.db2.gz XSKHCIREKFCGBO-INIZCTEOSA-N 0 3 300.402 2.115 20 30 DEEDHN CC[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000517024780 269374972 /nfs/dbraw/zinc/37/49/72/269374972.db2.gz CQKPUJHOTQOMQL-ZFWWWQNUSA-N 0 3 321.446 2.285 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(C#N)c2C)C[C@@H]1N(C)C ZINC000330839716 274181722 /nfs/dbraw/zinc/18/17/22/274181722.db2.gz ZBKIKJOPRAHIMS-LSDHHAIUSA-N 0 3 318.446 2.390 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)CC1 ZINC000377133118 275382035 /nfs/dbraw/zinc/38/20/35/275382035.db2.gz VEHVZRHNFMKMPK-YVEFUNNKSA-N 0 3 316.376 2.109 20 30 DEEDHN CN(CC(=O)OC(C)(C)C)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000330444199 276824979 /nfs/dbraw/zinc/82/49/79/276824979.db2.gz GKGOLNPMSAJBEP-HOCLYGCPSA-N 0 3 321.465 2.417 20 30 DEEDHN C=C(Br)CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000375473694 276855318 /nfs/dbraw/zinc/85/53/18/276855318.db2.gz RCLFJSPVMAJOPG-QWHCGFSZSA-N 0 3 303.244 2.128 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000339978260 277380096 /nfs/dbraw/zinc/38/00/96/277380096.db2.gz CDTQEQFCVRASHV-UHFFFAOYSA-N 0 3 316.449 2.284 20 30 DEEDHN COCC[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272234745 277544814 /nfs/dbraw/zinc/54/48/14/277544814.db2.gz RXJYMWQCRWRLFP-CJNGLKHVSA-N 0 3 301.390 2.068 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000491742529 277689839 /nfs/dbraw/zinc/68/98/39/277689839.db2.gz QKSIKCACQUMCPR-TZMCWYRMSA-N 0 3 310.319 2.290 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000340375233 277770310 /nfs/dbraw/zinc/77/03/10/277770310.db2.gz UBSKDGSECUCQAO-YOEHRIQHSA-N 0 3 310.438 2.123 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)C(C)C ZINC000160403352 277850481 /nfs/dbraw/zinc/85/04/81/277850481.db2.gz WZWSIRQTBSVYQV-AEFFLSMTSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCCCCO)C(C)C ZINC000280415757 277851435 /nfs/dbraw/zinc/85/14/35/277851435.db2.gz HRVQAFZBIFBUGH-MRXNPFEDSA-N 0 3 311.470 2.147 20 30 DEEDHN CS(=O)(=O)CC1(CN[C@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000414339924 278104520 /nfs/dbraw/zinc/10/45/20/278104520.db2.gz ZTYPJIRRBDVEMY-INIZCTEOSA-N 0 3 318.442 2.350 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000265216445 278132542 /nfs/dbraw/zinc/13/25/42/278132542.db2.gz WHCCSWSRYJOOTA-WBVHZDCISA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000249518546 278295179 /nfs/dbraw/zinc/29/51/79/278295179.db2.gz SYFKBKMLYSDDHX-CVEARBPZSA-N 0 3 315.461 2.375 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)s1 ZINC000420803794 279301693 /nfs/dbraw/zinc/30/16/93/279301693.db2.gz MVQHQBWKZPKEQJ-GFCCVEGCSA-N 0 3 306.435 2.293 20 30 DEEDHN CC(C)[C@H](CCO)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000273961126 280233367 /nfs/dbraw/zinc/23/33/67/280233367.db2.gz GNUWHHUYBDCNTJ-WBVHZDCISA-N 0 3 317.433 2.318 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(F)(F)F ZINC000065930175 281513247 /nfs/dbraw/zinc/51/32/47/281513247.db2.gz OILTZNOHEXSOEB-UHFFFAOYSA-N 0 3 313.323 2.401 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000329319707 295381200 /nfs/dbraw/zinc/38/12/00/295381200.db2.gz TWXKXSVCOWKXNR-TZMCWYRMSA-N 0 3 303.410 2.087 20 30 DEEDHN Cc1cc(CNC2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)on1 ZINC001368908867 1148764053 /nfs/dbraw/zinc/76/40/53/1148764053.db2.gz VHVYHFYHOUVAMS-XGNXJENSSA-N 0 3 304.394 2.002 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001349522096 1151257331 /nfs/dbraw/zinc/25/73/31/1151257331.db2.gz NRJAZNJDAKTZTM-FUHWJXTLSA-N 0 3 317.433 2.151 20 30 DEEDHN CSC1(CN2CCN(c3cnccc3C#N)CC2)CCC1 ZINC000572553667 325948184 /nfs/dbraw/zinc/94/81/84/325948184.db2.gz CDTADHDYSHNKIG-UHFFFAOYSA-N 0 3 302.447 2.361 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)C[C@@H]21 ZINC000574862499 326193832 /nfs/dbraw/zinc/19/38/32/326193832.db2.gz DITIIHPZTWITPC-NXHRZFHOSA-N 0 3 324.428 2.281 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000575103989 326218510 /nfs/dbraw/zinc/21/85/10/326218510.db2.gz BXQKIICFWBWSOF-QRVDHSFSSA-N 0 3 309.413 2.261 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)C[C@H]1CSCCN1 ZINC000236657107 332201120 /nfs/dbraw/zinc/20/11/20/332201120.db2.gz JMWJKCNPSZGFGV-INIZCTEOSA-N 0 3 304.459 2.339 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCC(C#N)CC2)C1 ZINC000497231322 333225776 /nfs/dbraw/zinc/22/57/76/333225776.db2.gz HYEUBKPJOIBHOW-YOEHRIQHSA-N 0 3 305.422 2.479 20 30 DEEDHN CCC(=NNC1=N[C@@H](C)CN1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497258906 333228364 /nfs/dbraw/zinc/22/83/64/333228364.db2.gz FMUOOZQCKJIBJA-WCQYABFASA-N 0 3 323.441 2.089 20 30 DEEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000351939720 336181378 /nfs/dbraw/zinc/18/13/78/336181378.db2.gz WMQCTIHNPACWBC-RHSMWYFYSA-N 0 3 309.454 2.320 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000351938255 336181434 /nfs/dbraw/zinc/18/14/34/336181434.db2.gz WWSHSBQQBRVHGI-XYJFISCASA-N 0 3 318.461 2.179 20 30 DEEDHN C=CCNC(=O)c1ccc(NC2CCN(CC(=C)C)CC2)nc1 ZINC000301226545 336295717 /nfs/dbraw/zinc/29/57/17/336295717.db2.gz GHTRXCJNNNAGBD-UHFFFAOYSA-N 0 3 314.433 2.450 20 30 DEEDHN N#Cc1ccnc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000393835721 337094037 /nfs/dbraw/zinc/09/40/37/337094037.db2.gz PWSGOFJJROGDJK-IAGOWNOFSA-N 0 3 319.412 2.307 20 30 DEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(C2CC2)cc1 ZINC000582781382 337157858 /nfs/dbraw/zinc/15/78/58/337157858.db2.gz ZSYYROAOVPVKLB-KSSFIOAISA-N 0 3 301.434 2.421 20 30 DEEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccnc(C#N)n1 ZINC000398018273 337304061 /nfs/dbraw/zinc/30/40/61/337304061.db2.gz IOZPKZBICLDXGB-MRXNPFEDSA-N 0 3 309.417 2.339 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)C1 ZINC000516157469 338006649 /nfs/dbraw/zinc/00/66/49/338006649.db2.gz MNVILDKALXHQJK-QUSNUVHPSA-N 0 3 318.465 2.440 20 30 DEEDHN CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC1CCN(C)CC1 ZINC000496220501 340000881 /nfs/dbraw/zinc/00/08/81/340000881.db2.gz YFZSOQWGFVEYEJ-LBPRGKRZSA-N 0 3 312.458 2.349 20 30 DEEDHN CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC1CCN(C)CC1 ZINC000496220500 340000897 /nfs/dbraw/zinc/00/08/97/340000897.db2.gz YFZSOQWGFVEYEJ-GFCCVEGCSA-N 0 3 312.458 2.349 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496475862 340006308 /nfs/dbraw/zinc/00/63/08/340006308.db2.gz PBDUPZUAKHARQX-AWEZNQCLSA-N 0 3 323.437 2.248 20 30 DEEDHN C=CCN1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 ZINC000496494516 340006636 /nfs/dbraw/zinc/00/66/36/340006636.db2.gz RSBATGWXCODOHY-AWEZNQCLSA-N 0 3 321.425 2.126 20 30 DEEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NNC1CCN(C)CC1 ZINC000497086131 340019939 /nfs/dbraw/zinc/01/99/39/340019939.db2.gz XWBZWYWNOADUOT-ZDUSSCGKSA-N 0 3 324.469 2.303 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000246754078 341356724 /nfs/dbraw/zinc/35/67/24/341356724.db2.gz PUIQOXGKMFUEKJ-KGLIPLIRSA-N 0 3 318.425 2.039 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)[C@@H]1OC ZINC000248741197 341385593 /nfs/dbraw/zinc/38/55/93/341385593.db2.gz DIBZETQHPPEARF-MXASKKJJSA-N 0 3 323.481 2.470 20 30 DEEDHN O=C(NCC#Cc1ccccc1)NC[C@H]1NCCc2ccccc21 ZINC000575732809 341801275 /nfs/dbraw/zinc/80/12/75/341801275.db2.gz JBZNRYAPNDSYGM-LJQANCHMSA-N 0 3 319.408 2.224 20 30 DEEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC1(C2CC2)CC1 ZINC000580602737 341884522 /nfs/dbraw/zinc/88/45/22/341884522.db2.gz OBHKIMXBKLJRDI-UHFFFAOYSA-N 0 3 321.384 2.215 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2sc(COC)nc2C)[C@H]1C ZINC001089009044 782116348 /nfs/dbraw/zinc/11/63/48/782116348.db2.gz QQCIXRHAFMEINX-OLZOCXBDSA-N 0 3 323.462 2.367 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CC)C(=O)CN(C)CCC)C1 ZINC001378220469 1152229626 /nfs/dbraw/zinc/22/96/26/1152229626.db2.gz XNBHPOYSSDSQEE-AWEZNQCLSA-N 0 3 301.862 2.004 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(OC)ccc2OC)[C@H]1C ZINC001089029651 782123807 /nfs/dbraw/zinc/12/38/07/782123807.db2.gz LKMQCACJYGNZMN-CJNGLKHVSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001357301765 1152283539 /nfs/dbraw/zinc/28/35/39/1152283539.db2.gz FHHHJUDKMIYGPR-SJORKVTESA-N 0 3 322.497 2.010 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001397254811 1160086340 /nfs/dbraw/zinc/08/63/40/1160086340.db2.gz ASTHQNNNFUPEHU-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC001357546166 1152310661 /nfs/dbraw/zinc/31/06/61/1152310661.db2.gz PVUPZIDAJCFUFB-CVEARBPZSA-N 0 3 321.465 2.110 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)COc1ccccc1 ZINC001329954728 1149023510 /nfs/dbraw/zinc/02/35/10/1149023510.db2.gz VALSQIVSXDOQTK-QGZVFWFLSA-N 0 3 314.429 2.450 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCCc2csc(C)n2)C1 ZINC001329998660 1149030941 /nfs/dbraw/zinc/03/09/41/1149030941.db2.gz UKDHVJIYBRNAMU-ZDUSSCGKSA-N 0 3 319.474 2.234 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)COC)C2 ZINC001120806852 782138053 /nfs/dbraw/zinc/13/80/53/782138053.db2.gz AYRXGRKCOJRZJV-ZBFOYUMQSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001330059416 1149043288 /nfs/dbraw/zinc/04/32/88/1149043288.db2.gz DKGFVAJNPFSBKY-ZDUSSCGKSA-N 0 3 317.433 2.145 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)COC(C)C)C2)C1 ZINC001330147718 1149054153 /nfs/dbraw/zinc/05/41/53/1149054153.db2.gz KXNPIINGOVNPPC-SJLPKXTDSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(Cl)CN1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001378731967 1152427626 /nfs/dbraw/zinc/42/76/26/1152427626.db2.gz PQYJVIWNXDDEBR-UHFFFAOYSA-N 0 3 313.873 2.004 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378743991 1152432780 /nfs/dbraw/zinc/43/27/80/1152432780.db2.gz PBKOQQCLCKBIET-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CCN1C ZINC000332615653 533936205 /nfs/dbraw/zinc/93/62/05/533936205.db2.gz BHYDJEWESGEKTM-IUODEOHRSA-N 0 3 324.384 2.426 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001330317432 1149091148 /nfs/dbraw/zinc/09/11/48/1149091148.db2.gz ICQNEJRYKHOUQI-LDLYASANSA-N 0 3 310.441 2.245 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3ccc4[nH]ccc4c3)[C@@H]2C1 ZINC001330321019 1149091655 /nfs/dbraw/zinc/09/16/55/1149091655.db2.gz UAUWLXBOLSHJQI-NNZMDNLPSA-N 0 3 321.424 2.028 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cn3ccccc3n2)C1 ZINC001368822882 1148690982 /nfs/dbraw/zinc/69/09/82/1148690982.db2.gz HIZFQULIGVCFBF-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCC[C@H](C#N)C1 ZINC000193059549 534168103 /nfs/dbraw/zinc/16/81/03/534168103.db2.gz KCYKRAYCWFBHOZ-YCPHGPKFSA-N 0 3 310.401 2.457 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(C)C2)cc1 ZINC000287350250 534290777 /nfs/dbraw/zinc/29/07/77/534290777.db2.gz PWTBXRPQXVZJCS-QWKFWESOSA-N 0 3 321.402 2.292 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC001378870142 1152473692 /nfs/dbraw/zinc/47/36/92/1152473692.db2.gz KXPFLHGGWPIOIZ-KBUPBQIOSA-N 0 3 314.857 2.429 20 30 DEEDHN COC(=O)c1cn([C@H]2CCCN(CC(C)(C)CCC#N)C2)nn1 ZINC000372038440 534304954 /nfs/dbraw/zinc/30/49/54/534304954.db2.gz NWXHBRJLEMTCDM-ZDUSSCGKSA-N 0 3 319.409 2.032 20 30 DEEDHN C[C@@H]1CN(CCCCNc2ncc(C#N)cc2F)C[C@@H](C)O1 ZINC000413186452 534463923 /nfs/dbraw/zinc/46/39/23/534463923.db2.gz PEQOGUGBORBJQK-CHWSQXEVSA-N 0 3 306.385 2.394 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000451607918 534608879 /nfs/dbraw/zinc/60/88/79/534608879.db2.gz RAGDYTAPFKKNAB-OLZOCXBDSA-N 0 3 312.316 2.160 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000451605950 534609383 /nfs/dbraw/zinc/60/93/83/534609383.db2.gz LREUFYVLDXIGFE-SOLBZPMBSA-N 0 3 300.402 2.187 20 30 DEEDHN N#CCCCS(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000170887356 534625199 /nfs/dbraw/zinc/62/51/99/534625199.db2.gz DYSDJXNLHUALFG-UHFFFAOYSA-N 0 3 321.446 2.006 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000367697417 523351402 /nfs/dbraw/zinc/35/14/02/523351402.db2.gz JKSGMOMBDGVXKY-QGZVFWFLSA-N 0 3 308.385 2.233 20 30 DEEDHN Cn1cc(NC(=O)NCCN2CCCCC2)c(C(F)(F)F)n1 ZINC000331313943 534737328 /nfs/dbraw/zinc/73/73/28/534737328.db2.gz BYPKGHWXERIBIE-UHFFFAOYSA-N 0 3 319.331 2.251 20 30 DEEDHN CC#CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245754688 526373430 /nfs/dbraw/zinc/37/34/30/526373430.db2.gz YFAPMRXZWYPYMA-DZGCQCFKSA-N 0 3 305.447 2.454 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccncc2F)CC1 ZINC000338038937 526438252 /nfs/dbraw/zinc/43/82/52/526438252.db2.gz KOSPSOHQMZKUAI-GFCCVEGCSA-N 0 3 306.385 2.231 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000332323114 526587068 /nfs/dbraw/zinc/58/70/68/526587068.db2.gz MPOUZLNPBSQURK-MRXNPFEDSA-N 0 3 323.481 2.219 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCSC[C@@H](C)C2)CC1 ZINC000192325689 526587267 /nfs/dbraw/zinc/58/72/67/526587267.db2.gz QTMXURZLLTUOBO-AWEZNQCLSA-N 0 3 311.495 2.421 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000373459048 526589312 /nfs/dbraw/zinc/58/93/12/526589312.db2.gz KUOHPSJLAPUITI-RHSMWYFYSA-N 0 3 321.465 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000413248607 526589785 /nfs/dbraw/zinc/58/97/85/526589785.db2.gz XMECRHRIOYKGNH-ILXRZTDVSA-N 0 3 309.454 2.140 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000369757139 526724106 /nfs/dbraw/zinc/72/41/06/526724106.db2.gz KBQAHLCOFVTUOW-KSSFIOAISA-N 0 3 312.413 2.155 20 30 DEEDHN C=C(C)Cn1c(CCCC)nnc1N1CCN2CCC[C@H]2C1 ZINC000338803601 526729315 /nfs/dbraw/zinc/72/93/15/526729315.db2.gz UDGYFPVKRUAUCS-HNNXBMFYSA-N 0 3 303.454 2.481 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000339111498 526769502 /nfs/dbraw/zinc/76/95/02/526769502.db2.gz SHQUTCZEPWQUDN-KBPBESRZSA-N 0 3 313.442 2.190 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000296727827 526819805 /nfs/dbraw/zinc/81/98/05/526819805.db2.gz CORWLUQYANKGAD-KRWDZBQOSA-N 0 3 317.433 2.401 20 30 DEEDHN C=CCSCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000299306926 526996138 /nfs/dbraw/zinc/99/61/38/526996138.db2.gz HZCNXPOHVQULPB-INIZCTEOSA-N 0 3 319.474 2.479 20 30 DEEDHN C=CCc1cc(CN2CC[C@@](O)(C3CC3)C2)cc(OC)c1O ZINC000376045105 527239091 /nfs/dbraw/zinc/23/90/91/527239091.db2.gz VISGGPBBQQBSMI-SFHVURJKSA-N 0 3 303.402 2.476 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2CCN[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000262795009 527248796 /nfs/dbraw/zinc/24/87/96/527248796.db2.gz OCZNVDZLNCZPGQ-KBPBESRZSA-N 0 3 318.417 2.011 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@](C)(O)C1 ZINC000245936850 527265243 /nfs/dbraw/zinc/26/52/43/527265243.db2.gz QFWKJCDVWRMJOX-SJLPKXTDSA-N 0 3 305.418 2.002 20 30 DEEDHN C=C[C@H](C)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429003660 527560323 /nfs/dbraw/zinc/56/03/23/527560323.db2.gz DCVGVLPVZJMJHN-RDJZCZTQSA-N 0 3 317.433 2.151 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000429700199 527572749 /nfs/dbraw/zinc/57/27/49/527572749.db2.gz HSIGMEJPWRBFIE-INIZCTEOSA-N 0 3 315.461 2.404 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([C@H]2CCOC2)CC1 ZINC000368234146 527626392 /nfs/dbraw/zinc/62/63/92/527626392.db2.gz JFLNEZKPUCVDGM-WBVHZDCISA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@H](O)C[C@H](C)C1)C(C)C ZINC000413121626 527645757 /nfs/dbraw/zinc/64/57/57/527645757.db2.gz WLHJLFPNADRYOJ-BBWFWOEESA-N 0 3 323.481 2.097 20 30 DEEDHN CC(C)[C@@]1(CO)CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000292996957 528893373 /nfs/dbraw/zinc/89/33/73/528893373.db2.gz ITEYJVCPOQDITC-ROUUACIJSA-N 0 3 302.418 2.322 20 30 DEEDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccccc2C#N)CC1 ZINC000298151115 528990591 /nfs/dbraw/zinc/99/05/91/528990591.db2.gz HGNOMPUCZIVLHW-UHFFFAOYSA-N 0 3 321.446 2.052 20 30 DEEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1 ZINC000188199837 529164293 /nfs/dbraw/zinc/16/42/93/529164293.db2.gz AXGNZDQMDYQFBZ-UPTRSRDDSA-N 0 3 317.364 2.393 20 30 DEEDHN C=CCCC(=O)NC[C@]1(C)CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001358848306 1152502955 /nfs/dbraw/zinc/50/29/55/1152502955.db2.gz VEQMSHJSMXWWPE-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCN(C)C[C@@H]1C(C)C ZINC000348554323 536883087 /nfs/dbraw/zinc/88/30/87/536883087.db2.gz RDLAFYRSGRJYCU-MRXNPFEDSA-N 0 3 317.433 2.218 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cncnc1C1CC1)C(C)C ZINC001379011449 1152530510 /nfs/dbraw/zinc/53/05/10/1152530510.db2.gz WNULHPKBGWJARC-CQSZACIVSA-N 0 3 322.840 2.451 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1Cc2ccccc2CN1CCC ZINC001327506074 1148572664 /nfs/dbraw/zinc/57/26/64/1148572664.db2.gz DZCRDHMMBUSXGR-PKOBYXMFSA-N 0 3 316.445 2.267 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCOCC(C)C)C2 ZINC001327512135 1148573661 /nfs/dbraw/zinc/57/36/61/1148573661.db2.gz JRXVRYQXZKOAEO-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(CC)CCOCC1 ZINC001368744022 1148633017 /nfs/dbraw/zinc/63/30/17/1148633017.db2.gz XZGDTPFBXKDEAO-ZDUSSCGKSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](NCc2cn(C)nc2C)C1 ZINC001327861029 1148661810 /nfs/dbraw/zinc/66/18/10/1148661810.db2.gz MUSMRARMSBTIJD-CJNGLKHVSA-N 0 3 318.465 2.267 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1CC2(CC2)C1 ZINC001379552532 1152641103 /nfs/dbraw/zinc/64/11/03/1152641103.db2.gz SXJFKBCJOBJRGU-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000835341500 649908525 /nfs/dbraw/zinc/90/85/25/649908525.db2.gz VFPHKPQKZKTHSG-GXTWGEPZSA-N 0 3 324.327 2.105 20 30 DEEDHN COCC[N@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736995713 598354639 /nfs/dbraw/zinc/35/46/39/598354639.db2.gz XHUVVEPMYQOBHO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN COCC[N@@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736995713 598354640 /nfs/dbraw/zinc/35/46/40/598354640.db2.gz XHUVVEPMYQOBHO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN COCC[N@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736995713 598354642 /nfs/dbraw/zinc/35/46/42/598354642.db2.gz XHUVVEPMYQOBHO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN COCC[N@@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736995713 598354646 /nfs/dbraw/zinc/35/46/46/598354646.db2.gz XHUVVEPMYQOBHO-UHFFFAOYSA-N 0 3 314.393 2.009 20 30 DEEDHN CC(C)(CCC#N)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000819976017 599456027 /nfs/dbraw/zinc/45/60/27/599456027.db2.gz HZEPTSSEAQWLTF-UHFFFAOYSA-N 0 3 302.357 2.425 20 30 DEEDHN CC(C)(CCC#N)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000819976017 599456028 /nfs/dbraw/zinc/45/60/28/599456028.db2.gz HZEPTSSEAQWLTF-UHFFFAOYSA-N 0 3 302.357 2.425 20 30 DEEDHN Cc1cc(CN[C@H](CCN(C)C(=O)C#CC2CC2)C(C)C)no1 ZINC001329737044 1148985174 /nfs/dbraw/zinc/98/51/74/1148985174.db2.gz ZNTNTWXZTDCXLU-QGZVFWFLSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001023464637 625279933 /nfs/dbraw/zinc/27/99/33/625279933.db2.gz HCTFJWGWIFMYNH-NSHDSACASA-N 0 3 320.824 2.016 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(Cl)cn2C)C1 ZINC001023477730 625288760 /nfs/dbraw/zinc/28/87/60/625288760.db2.gz DMBZETLAGPKWOC-ZDUSSCGKSA-N 0 3 307.825 2.144 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001023492961 625296973 /nfs/dbraw/zinc/29/69/73/625296973.db2.gz KBTXQQROUSTWBG-KBXCAEBGSA-N 0 3 314.404 2.317 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnc(CC3CC3)s2)C1 ZINC001023505191 625302442 /nfs/dbraw/zinc/30/24/42/625302442.db2.gz QKCSWWAEIQNZOQ-CQSZACIVSA-N 0 3 317.458 2.171 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH]nc1CC ZINC001025243199 625303379 /nfs/dbraw/zinc/30/33/79/625303379.db2.gz ARFFGWXQJAECRJ-DLBZAZTESA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001023512286 625304000 /nfs/dbraw/zinc/30/40/00/625304000.db2.gz LJGCTMRMTQELHV-OAHLLOKOSA-N 0 3 311.429 2.342 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(F)ccc(F)c2OC)C1 ZINC001023528436 625310813 /nfs/dbraw/zinc/31/08/13/625310813.db2.gz LTOSBZLHUFRZNN-LBPRGKRZSA-N 0 3 322.355 2.048 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001025268458 625315258 /nfs/dbraw/zinc/31/52/58/625315258.db2.gz ZKJVOJWEHTXOHI-GJZGRUSLSA-N 0 3 318.396 2.031 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(C(C)C)cn2)C[C@H]1C ZINC000947567610 625322331 /nfs/dbraw/zinc/32/23/31/625322331.db2.gz FOECSSKEUCTFRR-HUUCEWRRSA-N 0 3 302.422 2.070 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001023556141 625324321 /nfs/dbraw/zinc/32/43/21/625324321.db2.gz IKOTXGITIMWHIY-KSSFIOAISA-N 0 3 314.404 2.317 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001023608836 625346635 /nfs/dbraw/zinc/34/66/35/625346635.db2.gz HYXBYCXOJJSJHX-NSHDSACASA-N 0 3 310.319 2.179 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001023621886 625357651 /nfs/dbraw/zinc/35/76/51/625357651.db2.gz SBYDSQMTBSNZJS-OAHLLOKOSA-N 0 3 316.449 2.101 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)noc2C)C1 ZINC001025338321 625365275 /nfs/dbraw/zinc/36/52/75/625365275.db2.gz YBYVSGQUYGDKIT-SWLSCSKDSA-N 0 3 303.406 2.145 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC001023636815 625367069 /nfs/dbraw/zinc/36/70/69/625367069.db2.gz UVQCRURCFPEKOP-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2scnc2C)C1 ZINC001025346025 625369914 /nfs/dbraw/zinc/36/99/14/625369914.db2.gz CJCOSQXZCYSAQV-OCCSQVGLSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001023651453 625373499 /nfs/dbraw/zinc/37/34/99/625373499.db2.gz SQYLFACCQRHVHJ-HUUCEWRRSA-N 0 3 312.413 2.085 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001023671016 625381290 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C[C@H](C#N)C(=O)N1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC000998748025 634393788 /nfs/dbraw/zinc/39/37/88/634393788.db2.gz UUYIRQPIRRECFP-ABAIWWIYSA-N 0 3 307.344 2.205 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2coc(C(F)(F)F)n2)C1 ZINC000971865556 624666813 /nfs/dbraw/zinc/66/68/13/624666813.db2.gz HYKHLZZNSCVVSE-SECBINFHSA-N 0 3 303.284 2.026 20 30 DEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000891930813 624668861 /nfs/dbraw/zinc/66/88/61/624668861.db2.gz CSNCJWUKIYUQMK-JQFCIGGWSA-N 0 3 312.417 2.082 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC000971901771 624699077 /nfs/dbraw/zinc/69/90/77/624699077.db2.gz OGNOUVJHIQKRIH-MRXNPFEDSA-N 0 3 302.418 2.265 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc(CC3CC3)s2)C1 ZINC000971996736 624761986 /nfs/dbraw/zinc/76/19/86/624761986.db2.gz RCWWSMLASGGWCM-ZDUSSCGKSA-N 0 3 305.447 2.428 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2cccc3cccnc32)C1 ZINC000972047098 624793992 /nfs/dbraw/zinc/79/39/92/624793992.db2.gz 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/nfs/dbraw/zinc/42/67/76/634426776.db2.gz RKQKFLXAFMNEFZ-PHZGNYQRSA-N 0 3 320.795 2.410 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(COC)cc2)C1 ZINC001027676297 634428857 /nfs/dbraw/zinc/42/88/57/634428857.db2.gz UUQSCSPMBGMTPS-QGZVFWFLSA-N 0 3 300.402 2.003 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC#N ZINC001024751187 625035703 /nfs/dbraw/zinc/03/57/03/625035703.db2.gz CEMPOZLDLWIRIT-IRXDYDNUSA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001020264343 625058674 /nfs/dbraw/zinc/05/86/74/625058674.db2.gz KIYSHDVSVZUCGV-JOCQHMNTSA-N 0 3 304.781 2.117 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc3ccc(F)cc23)C1 ZINC001016125459 634431394 /nfs/dbraw/zinc/43/13/94/634431394.db2.gz YWSOZSQSKXDSPP-ZDUSSCGKSA-N 0 3 300.333 2.399 20 30 DEEDHN CCC(=O)N1CCCC[C@@H]1CNCc1cc(C#N)ccc1OC ZINC001024832579 625069871 /nfs/dbraw/zinc/06/98/71/625069871.db2.gz HLTJHKQITSVHDN-MRXNPFEDSA-N 0 3 315.417 2.448 20 30 DEEDHN C=CC[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccncc1 ZINC000893040466 625071590 /nfs/dbraw/zinc/07/15/90/625071590.db2.gz GUKOVUJWBNWRTP-HZPDHXFCSA-N 0 3 302.422 2.434 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(N3CC=CC3)c2)C1 ZINC000972439603 625083555 /nfs/dbraw/zinc/08/35/55/625083555.db2.gz DVEJIYRFIHZHOJ-GOSISDBHSA-N 0 3 311.429 2.395 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nc3ccccn3c2F)C1 ZINC001022932077 625106843 /nfs/dbraw/zinc/10/68/43/625106843.db2.gz ZKOJFWWTRGRCMU-PHIMTYICSA-N 0 3 322.771 2.076 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001022953034 625115118 /nfs/dbraw/zinc/11/51/18/625115118.db2.gz DNINEOJHLVJLJL-BETUJISGSA-N 0 3 322.840 2.383 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001022981152 625125388 /nfs/dbraw/zinc/12/53/88/625125388.db2.gz AYELZSIHZBKYJZ-ZENOOKHLSA-N 0 3 320.820 2.288 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c(C)noc2C)C1 ZINC000972496912 625138110 /nfs/dbraw/zinc/13/81/10/625138110.db2.gz XZVYWPNUCPZLCW-IUODEOHRSA-N 0 3 305.422 2.189 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC000972502910 625144734 /nfs/dbraw/zinc/14/47/34/625144734.db2.gz ZAYBDVVJTRJANN-OLZOCXBDSA-N 0 3 321.446 2.327 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccccc2OC)C1 ZINC001023060643 625148505 /nfs/dbraw/zinc/14/85/05/625148505.db2.gz HXODIGBGJFSASA-OKILXGFUSA-N 0 3 308.809 2.227 20 30 DEEDHN C#Cc1ccc(NC(=O)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC000934919551 625159492 /nfs/dbraw/zinc/15/94/92/625159492.db2.gz ZGHUCPXDJLNHPU-QGZVFWFLSA-N 0 3 313.401 2.043 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(OC(C)C)cn2)C1 ZINC001023176048 625175675 /nfs/dbraw/zinc/17/56/75/625175675.db2.gz QFXBUGYAUDBWGX-BETUJISGSA-N 0 3 323.824 2.472 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2conc2C(F)(F)F)C[C@H]1C ZINC000947547230 625202638 /nfs/dbraw/zinc/20/26/38/625202638.db2.gz PDEFKMHFNHKRKT-ZJUUUORDSA-N 0 3 317.311 2.462 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@]3(C2)CN(CC2CCC2)CCO3)C1 ZINC000972541995 625211049 /nfs/dbraw/zinc/21/10/49/625211049.db2.gz DNANFFMGXYIMMS-LJQANCHMSA-N 0 3 318.461 2.446 20 30 DEEDHN CC[C@@H](F)CN1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296435 625216169 /nfs/dbraw/zinc/21/61/69/625216169.db2.gz XDFGQYFFCPFUHW-TZMCWYRMSA-N 0 3 306.385 2.076 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001023371079 625242493 /nfs/dbraw/zinc/24/24/93/625242493.db2.gz RENBQGPWXYKFLY-QWHCGFSZSA-N 0 3 323.462 2.478 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001023371080 625243199 /nfs/dbraw/zinc/24/31/99/625243199.db2.gz RENBQGPWXYKFLY-STQMWFEESA-N 0 3 323.462 2.478 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(F)cccc2OC)C1 ZINC001023383612 625247206 /nfs/dbraw/zinc/24/72/06/625247206.db2.gz ZTRIDEBLVJRTHR-AWEZNQCLSA-N 0 3 318.392 2.299 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2occc2Br)C1 ZINC000972559689 625249524 /nfs/dbraw/zinc/24/95/24/625249524.db2.gz GMOVCVSIQNGPJE-JTQLQIEISA-N 0 3 313.195 2.374 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1ccon1 ZINC001025212854 625269036 /nfs/dbraw/zinc/26/90/36/625269036.db2.gz IDHPWAHFIKNTKW-IRXDYDNUSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001025212722 625269318 /nfs/dbraw/zinc/26/93/18/625269318.db2.gz YNVRTRGIGIARRA-IAGOWNOFSA-N 0 3 314.433 2.201 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1sc(C)nc1C ZINC000892466043 625753464 /nfs/dbraw/zinc/75/34/64/625753464.db2.gz XCCPUKRRXZDHOC-GFCCVEGCSA-N 0 3 307.419 2.318 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001024439977 625776349 /nfs/dbraw/zinc/77/63/49/625776349.db2.gz IRRDYOAZKPNCGI-MRXNPFEDSA-N 0 3 314.433 2.216 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001024479814 625809503 /nfs/dbraw/zinc/80/95/03/625809503.db2.gz QFISHKVRTBDIMG-HOTGVXAUSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001024495795 625818067 /nfs/dbraw/zinc/81/80/67/625818067.db2.gz QAZLJPJHARPXTF-INIZCTEOSA-N 0 3 310.401 2.122 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001027699449 634453640 /nfs/dbraw/zinc/45/36/40/634453640.db2.gz CWCUDJMOCRCJQK-XLIONFOSSA-N 0 3 310.441 2.447 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CC)c2ccc(OC)cc2)C1 ZINC001019805225 625836611 /nfs/dbraw/zinc/83/66/11/625836611.db2.gz XFEPKZKIEZXYEJ-DOTOQJQBSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001024528480 625844893 /nfs/dbraw/zinc/84/48/93/625844893.db2.gz JRXDOVPYHKKQFV-HNNXBMFYSA-N 0 3 324.428 2.479 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001024556953 625877192 /nfs/dbraw/zinc/87/71/92/625877192.db2.gz JERJWPVNIQEJBZ-OAHLLOKOSA-N 0 3 303.406 2.120 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001024573655 625898844 /nfs/dbraw/zinc/89/88/44/625898844.db2.gz UPCOBFBHDHUODT-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(N(C)C)nc2)C1 ZINC000999032435 634467685 /nfs/dbraw/zinc/46/76/85/634467685.db2.gz DYVAROYRPNPRER-UHFFFAOYSA-N 0 3 322.840 2.093 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3oc4ccccc4c3C)[C@@H]2C1 ZINC000979044342 634484618 /nfs/dbraw/zinc/48/46/18/634484618.db2.gz LPXOYZYDTMJBOC-PHZGNYQRSA-N 0 3 308.381 2.282 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4cccc(F)c4o3)[C@@H]2C1 ZINC000979076577 634492244 /nfs/dbraw/zinc/49/22/44/634492244.db2.gz YXAOEMSFVCDLSP-ZSOGYDGISA-N 0 3 312.344 2.113 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CC(C)C)[C@@H]2C1 ZINC000979091972 634497299 /nfs/dbraw/zinc/49/72/99/634497299.db2.gz SZJRRUKYTWDHSC-LDLYASANSA-N 0 3 310.441 2.426 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C34CCC(CC3)CC4)[C@@H]2C1 ZINC000979101799 634500976 /nfs/dbraw/zinc/50/09/76/634500976.db2.gz LTMYASWSXQLKPW-YKHUIQPLSA-N 0 3 300.446 2.274 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C34CC(c5ccccc5)(C3)C4)[C@@H]2C1 ZINC000979103364 634501602 /nfs/dbraw/zinc/50/16/02/634501602.db2.gz PZEUSFADKLFISN-DBKPMDMOSA-N 0 3 320.436 2.036 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCc3cccnc32)C1 ZINC000999309269 634556792 /nfs/dbraw/zinc/55/67/92/634556792.db2.gz KIMUCNMIDNJMOC-NRXISQOPSA-N 0 3 319.836 2.443 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1CCC[C@@H](NCCF)C1 ZINC000999531261 634631661 /nfs/dbraw/zinc/63/16/61/634631661.db2.gz MBNDIZHQAKGAFT-CQSZACIVSA-N 0 3 306.381 2.415 20 30 DEEDHN C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979506647 634666925 /nfs/dbraw/zinc/66/69/25/634666925.db2.gz SGOCXAUOTBWHDK-RRFJBIMHSA-N 0 3 300.402 2.409 20 30 DEEDHN C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979506647 634666928 /nfs/dbraw/zinc/66/69/28/634666928.db2.gz SGOCXAUOTBWHDK-RRFJBIMHSA-N 0 3 300.402 2.409 20 30 DEEDHN C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979514533 634673343 /nfs/dbraw/zinc/67/33/43/634673343.db2.gz LRHZYASKFHYGRE-JYJNAYRXSA-N 0 3 312.413 2.246 20 30 DEEDHN C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979514533 634673346 /nfs/dbraw/zinc/67/33/46/634673346.db2.gz LRHZYASKFHYGRE-JYJNAYRXSA-N 0 3 312.413 2.246 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2CCCOC2)C1 ZINC000999844026 634685142 /nfs/dbraw/zinc/68/51/42/634685142.db2.gz NUHAETOXWFRRHN-HSBZDZAISA-N 0 3 300.830 2.135 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC000999899824 634698418 /nfs/dbraw/zinc/69/84/18/634698418.db2.gz HOEHCRIPCOOCJZ-WLYUNCDWSA-N 0 3 324.856 2.392 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cocn3)C[C@H]2C1 ZINC000979591548 634707147 /nfs/dbraw/zinc/70/71/47/634707147.db2.gz YMRCMJLUIDVNRV-RWMBFGLXSA-N 0 3 309.797 2.257 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000999923642 634708034 /nfs/dbraw/zinc/70/80/34/634708034.db2.gz RKGJSQZLYXKVAF-MAZHCROVSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCN1C ZINC000925345269 634750132 /nfs/dbraw/zinc/75/01/32/634750132.db2.gz XCNPECYRZISZAW-CZUORRHYSA-N 0 3 312.417 2.329 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cccc(CC)n3)CC2)CC1 ZINC001000179021 634779256 /nfs/dbraw/zinc/77/92/56/634779256.db2.gz WDCLHCFKZMAXNH-UHFFFAOYSA-N 0 3 311.429 2.252 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CCC3(F)F)CC2)CC1 ZINC001000187368 634782618 /nfs/dbraw/zinc/78/26/18/634782618.db2.gz HICHPGMWOBTXMH-AWEZNQCLSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCC[C@H](OC)C3)CC2)CC1 ZINC001000249832 634823085 /nfs/dbraw/zinc/82/30/85/634823085.db2.gz OFXSMBBJVSEGAG-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)Cc1ccccc1C ZINC000836246305 650070412 /nfs/dbraw/zinc/07/04/12/650070412.db2.gz DKDCMPFOHNNWRU-INIZCTEOSA-N 0 3 301.434 2.180 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1SCC ZINC000836341489 650081074 /nfs/dbraw/zinc/08/10/74/650081074.db2.gz PSMACDOOMRITTB-CABCVRRESA-N 0 3 311.495 2.305 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001024714006 632943218 /nfs/dbraw/zinc/94/32/18/632943218.db2.gz RCQXUWFHCHOTKL-INIZCTEOSA-N 0 3 316.449 2.127 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001008627494 633151648 /nfs/dbraw/zinc/15/16/48/633151648.db2.gz GWRATEYIXOTYCH-CQSZACIVSA-N 0 3 304.365 2.052 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC000996233710 633214752 /nfs/dbraw/zinc/21/47/52/633214752.db2.gz KYHSNIVWSCSICB-SUMWQHHRSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000996327532 633238080 /nfs/dbraw/zinc/23/80/80/633238080.db2.gz DILKNOJYHMIDJV-JTQLQIEISA-N 0 3 323.181 2.131 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](C)COC)CC1(C)C ZINC000974693994 633244894 /nfs/dbraw/zinc/24/48/94/633244894.db2.gz YGVPSADMJCHMFL-GOEBONIOSA-N 0 3 319.449 2.149 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2ncc(F)cc2F)C(C)(C)C1 ZINC000974739424 633281889 /nfs/dbraw/zinc/28/18/89/633281889.db2.gz YPSGQLYDITWKPN-ZDUSSCGKSA-N 0 3 309.360 2.376 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(OCC)no2)C(C)(C)C1 ZINC000974829270 633316764 /nfs/dbraw/zinc/31/67/64/633316764.db2.gz UYMKCXILNSQGKH-CQSZACIVSA-N 0 3 321.421 2.480 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001026996744 633336116 /nfs/dbraw/zinc/33/61/16/633336116.db2.gz WUINHQMXWLQGRL-IIYDPXPESA-N 0 3 315.392 2.291 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001026992576 633338647 /nfs/dbraw/zinc/33/86/47/633338647.db2.gz PILBZJAQJIUDOD-STQMWFEESA-N 0 3 319.453 2.078 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CN(CC[C@H](C)F)CC2(C)C)c1 ZINC000975012868 633390355 /nfs/dbraw/zinc/39/03/55/633390355.db2.gz UPNOVUYBMJHLRX-BBRMVZONSA-N 0 3 317.408 2.251 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(CC[C@H](C)F)CC2(C)C)c1 ZINC000975012872 633390627 /nfs/dbraw/zinc/39/06/27/633390627.db2.gz UPNOVUYBMJHLRX-XJKSGUPXSA-N 0 3 317.408 2.251 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)C(C)(C)C1 ZINC000975037251 633392434 /nfs/dbraw/zinc/39/24/34/633392434.db2.gz GORNETDJCVRJJH-GFCCVEGCSA-N 0 3 312.364 2.364 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC000996871360 633483284 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XFHNINXVCGZIAY-INIZCTEOSA-N 0 3 321.400 2.256 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(N(C)C)nc3)CCC[C@@H]12 ZINC000991532630 646470203 /nfs/dbraw/zinc/47/02/03/646470203.db2.gz FGQNSLQODONVLU-CRAIPNDOSA-N 0 3 314.433 2.060 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnc(OC)c3)CCC[C@@H]12 ZINC000991537826 646476532 /nfs/dbraw/zinc/47/65/32/646476532.db2.gz NFGRGCQSNBATPK-RHSMWYFYSA-N 0 3 301.390 2.003 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C[C@H]1C ZINC000947314706 646518118 /nfs/dbraw/zinc/51/81/18/646518118.db2.gz HLMWQAIENYUYSJ-CABCVRRESA-N 0 3 316.449 2.214 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3coc(OCC)n3)CCC[C@@H]12 ZINC000991590943 646525149 /nfs/dbraw/zinc/52/51/49/646525149.db2.gz FMDQLVWLFUBSJH-RHSMWYFYSA-N 0 3 319.405 2.376 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(OCC)c2)C[C@@H]1C ZINC000947754881 646554259 /nfs/dbraw/zinc/55/42/59/646554259.db2.gz VWHDAANILBTCOV-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(OC)nc3)CCC[C@@H]12 ZINC000991709713 646593086 /nfs/dbraw/zinc/59/30/86/646593086.db2.gz LESDDLQQUGUUGP-RHSMWYFYSA-N 0 3 301.390 2.003 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(Br)c1 ZINC000171329426 646695872 /nfs/dbraw/zinc/69/58/72/646695872.db2.gz XHYJHGPXQLPSQY-LBPRGKRZSA-N 0 3 323.190 2.225 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)N2CCc3ccccc32)CC1 ZINC000171714517 646711026 /nfs/dbraw/zinc/71/10/26/646711026.db2.gz ZWXLYVLINNIIKM-OAHLLOKOSA-N 0 3 313.445 2.204 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(OC)ccc2OC)C[C@@H]1C ZINC000948020652 646724369 /nfs/dbraw/zinc/72/43/69/646724369.db2.gz DOPDFYDKSCXYCZ-UONOGXRCSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nc(CC)oc2C)CC1 ZINC000948848804 646724420 /nfs/dbraw/zinc/72/44/20/646724420.db2.gz GXTPEKXDRFZTRD-AWEZNQCLSA-N 0 3 303.406 2.105 20 30 DEEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCCc1ccc(OC)cc1 ZINC000173994924 646785389 /nfs/dbraw/zinc/78/53/89/646785389.db2.gz MRBMDWJVADEYQR-CJNGLKHVSA-N 0 3 316.401 2.499 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173990494 646787326 /nfs/dbraw/zinc/78/73/26/646787326.db2.gz SSAMOMDBJQBYQA-RQJHMYQMSA-N 0 3 315.192 2.069 20 30 DEEDHN N#Cc1cc(Cl)cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000929511849 646845760 /nfs/dbraw/zinc/84/57/60/646845760.db2.gz VNNYERLOYGIQCC-DLBZAZTESA-N 0 3 319.836 2.243 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(OC)ccn3)CCC[C@H]12 ZINC000992098332 646851082 /nfs/dbraw/zinc/85/10/82/646851082.db2.gz HGOOKSNOJQFLPC-WMZOPIPTSA-N 0 3 315.417 2.393 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(CC#CC)CC3)cc1 ZINC000992101158 646852050 /nfs/dbraw/zinc/85/20/50/646852050.db2.gz VKBMCDWUUAIOMB-QUCCMNQESA-N 0 3 306.409 2.418 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001015017110 646853130 /nfs/dbraw/zinc/85/31/30/646853130.db2.gz BOJQFICJLOMJGZ-AWEZNQCLSA-N 0 3 300.333 2.399 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC(OC)CC3)CCC[C@H]12 ZINC000992153662 646875381 /nfs/dbraw/zinc/87/53/81/646875381.db2.gz NDIUASZWOPKCNT-OBQMCRIKSA-N 0 3 306.450 2.491 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3occc3C)CCC[C@@H]12 ZINC000992195844 646897438 /nfs/dbraw/zinc/89/74/38/646897438.db2.gz XHSJQLURYKOAAD-SJLPKXTDSA-N 0 3 300.402 2.267 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3nccc4[nH]ccc43)CCC[C@H]12 ZINC000992205602 646901324 /nfs/dbraw/zinc/90/13/24/646901324.db2.gz FXYYBPQAUMREAK-LPHOPBHVSA-N 0 3 322.412 2.313 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc(C4CC4)nc3)CCC[C@@H]12 ZINC000992283896 646927820 /nfs/dbraw/zinc/92/78/20/646927820.db2.gz GGBQVDNSKNKRLY-QAPCUYQASA-N 0 3 312.417 2.267 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4cccnn43)CCC[C@@H]12 ZINC000992284900 646929740 /nfs/dbraw/zinc/92/97/40/646929740.db2.gz HQBOTCBTKAQOCL-AEFFLSMTSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccn(C(C)C)n3)CCC[C@@H]12 ZINC000992295805 646934109 /nfs/dbraw/zinc/93/41/09/646934109.db2.gz HMDZPACPUSJIJP-WBVHZDCISA-N 0 3 302.422 2.377 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccn4ccnc34)CCC[C@@H]12 ZINC000992321101 646945113 /nfs/dbraw/zinc/94/51/13/646945113.db2.gz DZQOQVWYUCOXLQ-VQIMIIECSA-N 0 3 322.412 2.084 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cccc4[nH]cnc43)CCC[C@@H]12 ZINC000992370561 646961144 /nfs/dbraw/zinc/96/11/44/646961144.db2.gz SDQDDPJWNDQJTA-CRAIPNDOSA-N 0 3 310.401 2.476 20 30 DEEDHN N#CCCOCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000815110212 646971215 /nfs/dbraw/zinc/97/12/15/646971215.db2.gz SPUUEVWVMUDIKX-QGZVFWFLSA-N 0 3 311.385 2.109 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3oc(CC)nc3C)CCC[C@H]12 ZINC000992411928 646980391 /nfs/dbraw/zinc/98/03/91/646980391.db2.gz ZONVLELFXJCXSY-GUYCJALGSA-N 0 3 303.406 2.458 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3cc(Cl)no3)CCC[C@@H]12 ZINC000992422168 646992419 /nfs/dbraw/zinc/99/24/19/646992419.db2.gz KXWAAIZCAULDLG-DOMZBBRYSA-N 0 3 307.781 2.078 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCOc1c(C)cccc1C ZINC000818595682 647485592 /nfs/dbraw/zinc/48/55/92/647485592.db2.gz JRGGTKUFWSLLGC-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000732002607 647531948 /nfs/dbraw/zinc/53/19/48/647531948.db2.gz WYVUAUBIIJCOMN-OAHLLOKOSA-N 0 3 307.397 2.313 20 30 DEEDHN CCc1nn(C)c(CC)c1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819191872 647605127 /nfs/dbraw/zinc/60/51/27/647605127.db2.gz VTVIEFWEHREUAV-SFHVURJKSA-N 0 3 312.417 2.240 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc3cc(C)ccn32)[C@H]1C ZINC000993371405 647632361 /nfs/dbraw/zinc/63/23/61/647632361.db2.gz XOERWYQHVCBINQ-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H]1C ZINC000993372176 647635294 /nfs/dbraw/zinc/63/52/94/647635294.db2.gz DNPHOEZYMODHGQ-NWDGAFQWSA-N 0 3 312.364 2.437 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C3CC3)cnn2C)[C@@H]1C ZINC000993411588 647656812 /nfs/dbraw/zinc/65/68/12/647656812.db2.gz QUKTVCKNKRVTJJ-BBRMVZONSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nccc3cccnc32)[C@H]1C ZINC000993441280 647670271 /nfs/dbraw/zinc/67/02/71/647670271.db2.gz IVKZCEVSAZDMPJ-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C)sc2C)[C@@H]1C ZINC000993472628 647674769 /nfs/dbraw/zinc/67/47/69/647674769.db2.gz BEZHSBIUKOZKOJ-FZMZJTMJSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn3ccc(C)cc23)[C@@H]1C ZINC000993477513 647675907 /nfs/dbraw/zinc/67/59/07/647675907.db2.gz NNEWXBZKMXSGGR-RDJZCZTQSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(F)F)ncn2)[C@@H]1C ZINC000993495722 647680015 /nfs/dbraw/zinc/68/00/15/647680015.db2.gz WOHPHTWRTXNPQH-NWDGAFQWSA-N 0 3 322.359 2.020 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ncc3ccccn32)[C@@H]1C ZINC000993584538 647696863 /nfs/dbraw/zinc/69/68/63/647696863.db2.gz AAXZWVIBNOQPCG-HOCLYGCPSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1C ZINC000993654911 647718421 /nfs/dbraw/zinc/71/84/21/647718421.db2.gz CFUJJFIUQDGEIQ-ZIAGYGMSSA-N 0 3 303.406 2.173 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC000993711772 647728943 /nfs/dbraw/zinc/72/89/43/647728943.db2.gz AZDXXWIJXSGAEV-ZIAGYGMSSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC000993711772 647728944 /nfs/dbraw/zinc/72/89/44/647728944.db2.gz AZDXXWIJXSGAEV-ZIAGYGMSSA-N 0 3 318.421 2.040 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCCN(CCCF)[C@@H]2C)c1 ZINC000993773352 647744530 /nfs/dbraw/zinc/74/45/30/647744530.db2.gz PXVONYOLGBCDIJ-CJNGLKHVSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H]1C ZINC000993852232 647756072 /nfs/dbraw/zinc/75/60/72/647756072.db2.gz ZARAIOOUQKAQLW-YOEHRIQHSA-N 0 3 312.413 2.228 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn(CC)nc2C)[C@@H]1C ZINC000993894898 647760101 /nfs/dbraw/zinc/76/01/01/647760101.db2.gz XWRRBMOSQSPQSR-HOCLYGCPSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3cccnn32)[C@H]1C ZINC000993935927 647764806 /nfs/dbraw/zinc/76/48/06/647764806.db2.gz DBGBTCWKQRESTN-ZBFHGGJFSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OCC#C)cc2)[C@@H]1C ZINC000993940528 647770305 /nfs/dbraw/zinc/77/03/05/647770305.db2.gz YVVWDYUTCLJMTI-LPHOPBHVSA-N 0 3 324.424 2.305 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)COC3)[C@@H]1C ZINC000993971172 647775476 /nfs/dbraw/zinc/77/54/76/647775476.db2.gz ITQPWJNNAAXCJB-KBXCAEBGSA-N 0 3 312.413 2.323 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn3ccccc23)[C@@H]1C ZINC000994014140 647777618 /nfs/dbraw/zinc/77/76/18/647777618.db2.gz YIVYMVOCTKNHGA-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CC)c2C)[C@@H]1C ZINC000994063243 647783587 /nfs/dbraw/zinc/78/35/87/647783587.db2.gz SCAJKBCRRDYOMU-HOCLYGCPSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H]1C ZINC000994063240 647783920 /nfs/dbraw/zinc/78/39/20/647783920.db2.gz SCAJKBCRRDYOMU-GOEBONIOSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(OC)c2F)[C@@H]1C ZINC000994078240 647785757 /nfs/dbraw/zinc/78/57/57/647785757.db2.gz HQQBZBIZLZOTOO-ZFWWWQNUSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3nccnc32)[C@H]1C ZINC000994092689 647788504 /nfs/dbraw/zinc/78/85/04/647788504.db2.gz MTXNQKVCLHFGFE-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@H]1C ZINC000994138867 647800573 /nfs/dbraw/zinc/80/05/73/647800573.db2.gz SETDCOGMMDYZNY-ZBFHGGJFSA-N 0 3 318.465 2.243 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H]1C ZINC000994205312 647805360 /nfs/dbraw/zinc/80/53/60/647805360.db2.gz FRBSBDPWWUQUJG-GOEBONIOSA-N 0 3 302.422 2.070 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CSc1nnnn1CCN(C)C ZINC000916674479 647899840 /nfs/dbraw/zinc/89/98/40/647899840.db2.gz DSLSAQDYFKZMRT-UHFFFAOYSA-N 0 3 316.434 2.016 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@H]1C ZINC000994353567 647917527 /nfs/dbraw/zinc/91/75/27/647917527.db2.gz SOPDODWMXNILEO-CJNGLKHVSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)noc2C)[C@@H]1C ZINC000994385801 647935565 /nfs/dbraw/zinc/93/55/65/647935565.db2.gz IMIUVFZYPRTSRA-BBRMVZONSA-N 0 3 305.422 2.379 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC000916877645 647936911 /nfs/dbraw/zinc/93/69/11/647936911.db2.gz IRZHEMSUOFNFKA-HUUCEWRRSA-N 0 3 318.421 2.466 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCO2)cc1 ZINC000916914284 647941491 /nfs/dbraw/zinc/94/14/91/647941491.db2.gz XYQRCLRLMGEQMB-GJZGRUSLSA-N 0 3 300.358 2.465 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(C)nc2)[C@@H]1C ZINC000994416855 647943163 /nfs/dbraw/zinc/94/31/63/647943163.db2.gz AMCINRQBMJNJBF-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2csc3nccn23)[C@@H]1C ZINC000994435013 647947953 /nfs/dbraw/zinc/94/79/53/647947953.db2.gz MQMKQIVNFUDUHP-GXTWGEPZSA-N 0 3 318.446 2.093 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2[nH]nc3ccccc32)[C@@H]1C ZINC000994498474 647970923 /nfs/dbraw/zinc/97/09/23/647970923.db2.gz MUMBPLAWNHQVJI-GOEBONIOSA-N 0 3 324.428 2.098 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(F)c(F)c1 ZINC000917508656 648007726 /nfs/dbraw/zinc/00/77/26/648007726.db2.gz SNEHUSWSNBHWLK-JTQLQIEISA-N 0 3 301.252 2.321 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NOCCC(F)(F)F)CC1 ZINC000154523520 648031615 /nfs/dbraw/zinc/03/16/15/648031615.db2.gz UMWYZSOPCZPZRT-UHFFFAOYSA-N 0 3 309.332 2.210 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC=CCC1)CCO2 ZINC000949024609 648216362 /nfs/dbraw/zinc/21/63/62/648216362.db2.gz JQXLPJKODSBDQS-KRWDZBQOSA-N 0 3 316.445 2.059 20 30 DEEDHN COc1cccc(CN2CCC(NC(=O)[C@H](C)CC#N)CC2)c1 ZINC000822838755 648300075 /nfs/dbraw/zinc/30/00/75/648300075.db2.gz CUVASKTWGGJQSX-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@H](NC(=O)c2cocn2)C1 ZINC000994831273 648383404 /nfs/dbraw/zinc/38/34/04/648383404.db2.gz BLCJXRMECNXARV-CJNGLKHVSA-N 0 3 324.384 2.235 20 30 DEEDHN C=CCN1CCC([NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823920166 648499616 /nfs/dbraw/zinc/49/96/16/648499616.db2.gz YXHVKQMKCYMPGK-CYBMUJFWSA-N 0 3 312.421 2.168 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CC[C@H](NC(=O)c2cnco2)C1 ZINC000995030060 648774025 /nfs/dbraw/zinc/77/40/25/648774025.db2.gz AEKPAVQVMFRJMV-BBRMVZONSA-N 0 3 324.384 2.235 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182382575 648892578 /nfs/dbraw/zinc/89/25/78/648892578.db2.gz NZMSTYZZAAKXGA-CYBMUJFWSA-N 0 3 306.406 2.476 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)n2C)C(C)(C)C1 ZINC000940566780 648894022 /nfs/dbraw/zinc/89/40/22/648894022.db2.gz RNWHDKZTNJRYAG-INIZCTEOSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)C[C@@H]1C ZINC000947890595 648953200 /nfs/dbraw/zinc/95/32/00/648953200.db2.gz IOADJNUDNPGNOE-KSSFIOAISA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2CCC)C(C)(C)C1 ZINC000940862549 648956715 /nfs/dbraw/zinc/95/67/15/648956715.db2.gz QIGANCMUKGRLTB-INIZCTEOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC000941141420 649007690 /nfs/dbraw/zinc/00/76/90/649007690.db2.gz FLOSRZGUXCWFDP-MRXNPFEDSA-N 0 3 317.433 2.090 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccnc2OCC)C(C)(C)C1 ZINC000941200536 649016938 /nfs/dbraw/zinc/01/69/38/649016938.db2.gz HECMCBMQRHCQNU-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncnc2CC)C(C)(C)C1 ZINC000941224115 649025630 /nfs/dbraw/zinc/02/56/30/649025630.db2.gz QEPOOHLEPNSAGZ-HNNXBMFYSA-N 0 3 302.422 2.055 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@H](C)C1 ZINC000942089552 649153999 /nfs/dbraw/zinc/15/39/99/649153999.db2.gz ZEHRUEJVURSBOY-HUUCEWRRSA-N 0 3 304.438 2.165 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(CC)nc2C2CC2)[C@H](C)C1 ZINC000942091677 649154491 /nfs/dbraw/zinc/15/44/91/649154491.db2.gz OTUOMWXSIPAALW-CZUORRHYSA-N 0 3 316.449 2.407 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H](C)C1 ZINC000942314757 649202657 /nfs/dbraw/zinc/20/26/57/649202657.db2.gz RHGKXBSKNDLHRP-LSDHHAIUSA-N 0 3 312.417 2.269 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000942343270 649206417 /nfs/dbraw/zinc/20/64/17/649206417.db2.gz JKLQETQBNDESTB-QAPCUYQASA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@@H](C)C1 ZINC000942343682 649206494 /nfs/dbraw/zinc/20/64/94/649206494.db2.gz KVBUBICBUAHHEG-YOEHRIQHSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccc3occc32)[C@@H](C)C1 ZINC000942528131 649234745 /nfs/dbraw/zinc/23/47/45/649234745.db2.gz YCCBUBMFUJSJLG-ZFWWWQNUSA-N 0 3 311.385 2.291 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)[C@H](C)C1 ZINC000942529824 649235470 /nfs/dbraw/zinc/23/54/70/649235470.db2.gz MTKRFLPSGXBFJI-PBHICJAKSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@@H](C)C1 ZINC000942546492 649242135 /nfs/dbraw/zinc/24/21/35/649242135.db2.gz VUQKOTONMGMWMT-BBRMVZONSA-N 0 3 323.396 2.014 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000942583073 649253914 /nfs/dbraw/zinc/25/39/14/649253914.db2.gz ANFUEZOQLGSAEX-GUYCJALGSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(OCC)c2)[C@H](C)C1 ZINC000943233415 649352790 /nfs/dbraw/zinc/35/27/90/649352790.db2.gz OUNWEMOTPKXDMW-NVXWUHKLSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000943372172 649372019 /nfs/dbraw/zinc/37/20/19/649372019.db2.gz BQXIJCWUWPYITK-DOMZBBRYSA-N 0 3 320.820 2.422 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2scnc2C2CC2)[C@H](C)C1 ZINC000943466148 649381444 /nfs/dbraw/zinc/38/14/44/649381444.db2.gz OLNJHVVAHSDYTC-TZMCWYRMSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3scnc3c2)[C@@H](C)C1 ZINC000943879289 649447460 /nfs/dbraw/zinc/44/74/60/649447460.db2.gz UYHOWOGJCTXBCF-GXTWGEPZSA-N 0 3 313.426 2.370 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C2CC2)[C@H](C)C1 ZINC000944016497 649471242 /nfs/dbraw/zinc/47/12/42/649471242.db2.gz LRRIOKKPDBQZJG-TZMCWYRMSA-N 0 3 301.390 2.016 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(OC(C)C)c2)[C@@H](C)C1 ZINC000944123801 649486242 /nfs/dbraw/zinc/48/62/42/649486242.db2.gz 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651259258 /nfs/dbraw/zinc/25/92/58/651259258.db2.gz XUBVZFGATZZXJG-MRXNPFEDSA-N 0 3 303.406 2.410 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000845625473 651262438 /nfs/dbraw/zinc/26/24/38/651262438.db2.gz MDGLWFKVSTZLLJ-IJEWVQPXSA-N 0 3 303.406 2.312 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000847379832 651392846 /nfs/dbraw/zinc/39/28/46/651392846.db2.gz WPAYAEIJFGNFIN-CYBMUJFWSA-N 0 3 315.408 2.455 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC000854664610 651530365 /nfs/dbraw/zinc/53/03/65/651530365.db2.gz YPIJCAYJEASALQ-AWEZNQCLSA-N 0 3 324.465 2.062 20 30 DEEDHN N#CCOc1cc(F)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000848901500 651552971 /nfs/dbraw/zinc/55/29/71/651552971.db2.gz UIBIPMZNWJEANE-OAHLLOKOSA-N 0 3 319.380 2.393 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000855166721 651639769 /nfs/dbraw/zinc/63/97/69/651639769.db2.gz OTADFIOSPXESRW-OAHLLOKOSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCCC(C)(C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000856375239 651911001 /nfs/dbraw/zinc/91/10/01/651911001.db2.gz ROVVCTVTWHAXRP-HZPDHXFCSA-N 0 3 318.465 2.316 20 30 DEEDHN CCCCCCCCCN(C)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000856721339 651964261 /nfs/dbraw/zinc/96/42/61/651964261.db2.gz AOVOXIUZFWSNPO-UHFFFAOYSA-N 0 3 320.441 2.182 20 30 DEEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850761591 651983748 /nfs/dbraw/zinc/98/37/48/651983748.db2.gz PBMQYXOZUDWXOM-ZDUSSCGKSA-N 0 3 320.320 2.260 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850767311 651984404 /nfs/dbraw/zinc/98/44/04/651984404.db2.gz IIBIUBCGSINTEZ-HNNXBMFYSA-N 0 3 312.369 2.210 20 30 DEEDHN C=CCN(C(=O)NC[C@@H]1NCCc2ccccc21)[C@H](C)COC ZINC000851667325 652202375 /nfs/dbraw/zinc/20/23/75/652202375.db2.gz NNXKNPQOOFZVDH-PBHICJAKSA-N 0 3 317.433 2.106 20 30 DEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000852098562 652338077 /nfs/dbraw/zinc/33/80/77/652338077.db2.gz QDGVUJJRNBQCBP-SCLBCKFNSA-N 0 3 318.417 2.100 20 30 DEEDHN N#Cc1ccc(-c2ccn(CN3CC[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000853588888 652574205 /nfs/dbraw/zinc/57/42/05/652574205.db2.gz SEYZLRPAMFWNKS-SJORKVTESA-N 0 3 308.385 2.348 20 30 DEEDHN C#C[C@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000854077228 652638182 /nfs/dbraw/zinc/63/81/82/652638182.db2.gz MTZZDRKQVXYZGP-ZBFHGGJFSA-N 0 3 303.406 2.009 20 30 DEEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000854076623 652638472 /nfs/dbraw/zinc/63/84/72/652638472.db2.gz XAWORKDJPGGPAH-MRXNPFEDSA-N 0 3 317.433 2.180 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CC12CCC2 ZINC001392512383 1157083734 /nfs/dbraw/zinc/08/37/34/1157083734.db2.gz JWECIJYRGFRFQO-BXUZGUMPSA-N 0 3 303.431 2.404 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(=O)OC ZINC000928318997 693760592 /nfs/dbraw/zinc/76/05/92/693760592.db2.gz ZTMTZTUYYDBBPR-JKSUJKDBSA-N 0 3 322.449 2.408 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)OC ZINC000928318993 693760604 /nfs/dbraw/zinc/76/06/04/693760604.db2.gz ZTMTZTUYYDBBPR-CVEARBPZSA-N 0 3 322.449 2.408 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000928445595 693781491 /nfs/dbraw/zinc/78/14/91/693781491.db2.gz ZIXUREMWUBNGLA-FZMZJTMJSA-N 0 3 310.319 2.266 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000076500706 683943798 /nfs/dbraw/zinc/94/37/98/683943798.db2.gz SVRLVOGUHRXEKU-ZDUSSCGKSA-N 0 3 311.341 2.119 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nnc(C(C)C)o1 ZINC000080254836 683979843 /nfs/dbraw/zinc/97/98/43/683979843.db2.gz JFYHLQYWSYCDBD-GFCCVEGCSA-N 0 3 320.393 2.141 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000126086340 684151369 /nfs/dbraw/zinc/15/13/69/684151369.db2.gz GSLVEBDZELULJN-AWEZNQCLSA-N 0 3 302.374 2.316 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000129378544 684178825 /nfs/dbraw/zinc/17/88/25/684178825.db2.gz PNTWCDRACRGOKZ-JHJVBQTASA-N 0 3 320.414 2.022 20 30 DEEDHN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000129833071 684182325 /nfs/dbraw/zinc/18/23/25/684182325.db2.gz OXRREUSCKRMZMW-ZYHUDNBSSA-N 0 3 322.311 2.063 20 30 DEEDHN COc1ccc(Cl)cc1CC(=O)C(C#N)C(=O)NC(C)C ZINC000130729541 684192289 /nfs/dbraw/zinc/19/22/89/684192289.db2.gz GLNFXKVGAHHQMQ-LBPRGKRZSA-N 0 3 308.765 2.125 20 30 DEEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1F ZINC000130907088 684194438 /nfs/dbraw/zinc/19/44/38/684194438.db2.gz WQPYXMHZBRCBMN-LBPRGKRZSA-N 0 3 306.337 2.000 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccccc1F)C2 ZINC001054075792 693833701 /nfs/dbraw/zinc/83/37/01/693833701.db2.gz QACANAJWXDYQLH-SFHVURJKSA-N 0 3 300.377 2.387 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1=COCCC1)C2 ZINC001054097377 693842966 /nfs/dbraw/zinc/84/29/66/693842966.db2.gz FKWJTQHQRXEHGR-SFHVURJKSA-N 0 3 302.418 2.019 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C)n1C)C2 ZINC001054085035 693836245 /nfs/dbraw/zinc/83/62/45/693836245.db2.gz JFQNYAPJIIDWLR-LJQANCHMSA-N 0 3 313.445 2.285 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccccc1OC(C)C ZINC000155478410 684274487 /nfs/dbraw/zinc/27/44/87/684274487.db2.gz YJIUTMMLAJJDOA-AWEZNQCLSA-N 0 3 302.374 2.250 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1scnc1CC)C2 ZINC001054143383 693860513 /nfs/dbraw/zinc/86/05/13/693860513.db2.gz SDGUWGYZRGQDLG-QGZVFWFLSA-N 0 3 317.458 2.267 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1nc(C)sc1C)C2 ZINC001054151587 693863886 /nfs/dbraw/zinc/86/38/86/693863886.db2.gz NGVYXLFEGJCFRE-KRWDZBQOSA-N 0 3 317.458 2.321 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCCCO1)C2 ZINC001054208561 693882952 /nfs/dbraw/zinc/88/29/52/693882952.db2.gz RFWYDSDIRPVDQS-IEBWSBKVSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](OC)C1CCCC1)C2 ZINC001054233837 693893833 /nfs/dbraw/zinc/89/38/33/693893833.db2.gz SABYUPVSXKVOGF-PKOBYXMFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnc(CC)s1)C2 ZINC001054247477 693898301 /nfs/dbraw/zinc/89/83/01/693898301.db2.gz WSJYSKHNGSAKMR-QGZVFWFLSA-N 0 3 317.458 2.267 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COc3ccccc31)C2 ZINC001054247929 693898586 /nfs/dbraw/zinc/89/85/86/693898586.db2.gz GWWLBFPOCOJCLK-XLIONFOSSA-N 0 3 324.424 2.110 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1sccc1OC)C2 ZINC001054230065 693892328 /nfs/dbraw/zinc/89/23/28/693892328.db2.gz LEWBLHJOYJXTHZ-QGZVFWFLSA-N 0 3 318.442 2.318 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cn(C)cn3)cc2C1 ZINC001054260780 693905732 /nfs/dbraw/zinc/90/57/32/693905732.db2.gz FNYLAKUOTMEPPN-UHFFFAOYSA-N 0 3 310.401 2.242 20 30 DEEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000859445777 685730599 /nfs/dbraw/zinc/73/05/99/685730599.db2.gz UZEZSZZPTKEYPT-INIZCTEOSA-N 0 3 301.434 2.267 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001054395855 693960526 /nfs/dbraw/zinc/96/05/26/693960526.db2.gz ADZKXFHSTXDIOX-CZUORRHYSA-N 0 3 315.417 2.159 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860462964 685929956 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C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000861838283 686191253 /nfs/dbraw/zinc/19/12/53/686191253.db2.gz XSOJDATZAPMMPH-IAGOWNOFSA-N 0 3 302.393 2.391 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1ccccc1F ZINC001054636602 694011551 /nfs/dbraw/zinc/01/15/51/694011551.db2.gz KTYWCWFDDLWLOP-GUYCJALGSA-N 0 3 300.377 2.176 20 30 DEEDHN CON=Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000863034176 686422822 /nfs/dbraw/zinc/42/28/22/686422822.db2.gz RHSDRIYGOFKZFY-QGZVFWFLSA-N 0 3 315.417 2.414 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2cncc(F)c2)[C@@H](C)C1 ZINC001054976080 694086948 /nfs/dbraw/zinc/08/69/48/694086948.db2.gz INZHUKKQRQCUGI-WFASDCNBSA-N 0 3 305.397 2.369 20 30 DEEDHN C=C(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)N(C)C)C1=O ZINC000865298564 687170635 /nfs/dbraw/zinc/17/06/35/687170635.db2.gz HALMCYQXUTXTME-HOTGVXAUSA-N 0 3 315.417 2.484 20 30 DEEDHN CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)[C@H]1CN2CCC1CC2 ZINC000865712825 687309825 /nfs/dbraw/zinc/30/98/25/687309825.db2.gz 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C=CC(C)(C)CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000875107206 689572742 /nfs/dbraw/zinc/57/27/42/689572742.db2.gz OIQSRGUTFWJPQU-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001033669730 689578476 /nfs/dbraw/zinc/57/84/76/689578476.db2.gz PZBXSZIJZCRLBG-KRWDZBQOSA-N 0 3 313.445 2.158 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001033675075 689580509 /nfs/dbraw/zinc/58/05/09/689580509.db2.gz LJZNJBFJLUKWDJ-RHSMWYFYSA-N 0 3 302.393 2.485 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc(OCC)c2)C1 ZINC001033691204 689585314 /nfs/dbraw/zinc/58/53/14/689585314.db2.gz KEZYWNLNCFMXPG-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001033835668 689632364 /nfs/dbraw/zinc/63/23/64/689632364.db2.gz KMHHPYQJVYSTNT-GJZGRUSLSA-N 0 3 316.449 2.329 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nccc3cccnc32)C1 ZINC001033862029 689642467 /nfs/dbraw/zinc/64/24/67/689642467.db2.gz UGSRAHWFOBASFG-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001033882431 689648995 /nfs/dbraw/zinc/64/89/95/689648995.db2.gz YYNNSPLMIZYHPQ-INIZCTEOSA-N 0 3 324.428 2.133 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001033893924 689653757 /nfs/dbraw/zinc/65/37/57/689653757.db2.gz SSAQBERQXYBGKQ-AEFFLSMTSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001033907103 689658195 /nfs/dbraw/zinc/65/81/95/689658195.db2.gz SHQHWXNYXTVHSE-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(CCC)n[nH]2)C1 ZINC001033913199 689659924 /nfs/dbraw/zinc/65/99/24/689659924.db2.gz QIMSJCRYHCAJMZ-HNNXBMFYSA-N 0 3 304.438 2.475 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccnc3ccncc32)C1 ZINC001033916893 689661159 /nfs/dbraw/zinc/66/11/59/689661159.db2.gz QAJLDYXVBVTLQL-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccn(CC)c2C)C1 ZINC001033932388 689666596 /nfs/dbraw/zinc/66/65/96/689666596.db2.gz MQUYRPROMBKWCK-MRXNPFEDSA-N 0 3 301.434 2.376 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CCC(OC)CC2)C1 ZINC001033942412 689669326 /nfs/dbraw/zinc/66/93/26/689669326.db2.gz MEGLDTTXYYVNQB-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nccc3[nH]ccc32)C1 ZINC001033955778 689672597 /nfs/dbraw/zinc/67/25/97/689672597.db2.gz CWGXHTKCDRMUAI-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033988556 689684850 /nfs/dbraw/zinc/68/48/50/689684850.db2.gz GGCPFTCMRDYUQK-OAHLLOKOSA-N 0 3 305.809 2.295 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001034003509 689689261 /nfs/dbraw/zinc/68/92/61/689689261.db2.gz JBHFZDWOWCXQNE-MRXNPFEDSA-N 0 3 324.428 2.431 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034026184 689697362 /nfs/dbraw/zinc/69/73/62/689697362.db2.gz QBGSTQHPSXUQEH-IAGOWNOFSA-N 0 3 313.445 2.295 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001034211404 689764515 /nfs/dbraw/zinc/76/45/15/689764515.db2.gz MJRLFPACPJXUKK-HZPDHXFCSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001034212807 689764518 /nfs/dbraw/zinc/76/45/18/689764518.db2.gz NLSJAWHXQLDFND-ULQDDVLXSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001034235749 689775195 /nfs/dbraw/zinc/77/51/95/689775195.db2.gz UMPGXNDAJKSDPU-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC001034255312 689784688 /nfs/dbraw/zinc/78/46/88/689784688.db2.gz XSPSGCLVLITCRK-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001034297898 689799738 /nfs/dbraw/zinc/79/97/38/689799738.db2.gz VRLCXMPNKCXENE-CYBMUJFWSA-N 0 3 324.856 2.081 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001034297353 689800064 /nfs/dbraw/zinc/80/00/64/689800064.db2.gz GUHYXXDRDOSPFM-INIZCTEOSA-N 0 3 304.438 2.047 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034315756 689807306 /nfs/dbraw/zinc/80/73/06/689807306.db2.gz PTDUCTAJWANQGP-CQSZACIVSA-N 0 3 311.385 2.435 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034342984 689815452 /nfs/dbraw/zinc/81/54/52/689815452.db2.gz VDYOKBJYHCKCCS-CYBMUJFWSA-N 0 3 306.431 2.364 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC001034359787 689822044 /nfs/dbraw/zinc/82/20/44/689822044.db2.gz CENWWWUERWJSAJ-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001034363793 689823150 /nfs/dbraw/zinc/82/31/50/689823150.db2.gz NPQWWCUIXZLBRP-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001034363793 689823152 /nfs/dbraw/zinc/82/31/52/689823152.db2.gz NPQWWCUIXZLBRP-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001034428649 689847147 /nfs/dbraw/zinc/84/71/47/689847147.db2.gz PFYPJKDFBKTERA-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000876573110 689861547 /nfs/dbraw/zinc/86/15/47/689861547.db2.gz MMTJBIBXTTYQJX-JKSUJKDBSA-N 0 3 322.836 2.429 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001034470492 689862058 /nfs/dbraw/zinc/86/20/58/689862058.db2.gz SHHIVQLBCSNAPR-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001034487941 689870723 /nfs/dbraw/zinc/87/07/23/689870723.db2.gz QQSIYGVJKLJLQV-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000876601282 689872249 /nfs/dbraw/zinc/87/22/49/689872249.db2.gz ROPJNZCUWQQEDG-GFCCVEGCSA-N 0 3 309.753 2.052 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001034500455 689874708 /nfs/dbraw/zinc/87/47/08/689874708.db2.gz BJAKFIMFTUQOHT-QGZVFWFLSA-N 0 3 315.417 2.415 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000876610215 689875823 /nfs/dbraw/zinc/87/58/23/689875823.db2.gz SQWYGQZJCKVKQM-ZDUSSCGKSA-N 0 3 309.797 2.233 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001034517711 689882390 /nfs/dbraw/zinc/88/23/90/689882390.db2.gz OSQIFIXGBAMKSI-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001034535624 689890070 /nfs/dbraw/zinc/89/00/70/689890070.db2.gz SSCOERANSSBNIX-GOEBONIOSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000876705458 689910211 /nfs/dbraw/zinc/91/02/11/689910211.db2.gz OFDNBYSPJXNQDV-BPNCWPANSA-N 0 3 314.788 2.224 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000876714873 689912772 /nfs/dbraw/zinc/91/27/72/689912772.db2.gz DPRCKACIMOGYMY-OAHLLOKOSA-N 0 3 318.808 2.018 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000876726834 689917486 /nfs/dbraw/zinc/91/74/86/689917486.db2.gz ADTNMJGTQOSRNX-UKRRQHHQSA-N 0 3 307.825 2.099 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCN(C)c1ccccc1 ZINC000876734165 689920483 /nfs/dbraw/zinc/92/04/83/689920483.db2.gz BIAFYTHMYUHCEB-HNNXBMFYSA-N 0 3 309.841 2.489 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000876941002 689978311 /nfs/dbraw/zinc/97/83/11/689978311.db2.gz DSOSLPDWUCTQAI-MCIONIFRSA-N 0 3 300.830 2.122 20 30 DEEDHN CSCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC001034851125 689964141 /nfs/dbraw/zinc/96/41/41/689964141.db2.gz LYINNSWMEJCFFI-CQSZACIVSA-N 0 3 321.421 2.141 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(Br)o1 ZINC000876943011 689979026 /nfs/dbraw/zinc/97/90/26/689979026.db2.gz MCVUKPLGQUMPDS-VIFPVBQESA-N 0 3 321.602 2.470 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034947740 689997693 /nfs/dbraw/zinc/99/76/93/689997693.db2.gz XWPZONRJYMYKGE-CQSZACIVSA-N 0 3 324.856 2.279 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000877133147 690026388 /nfs/dbraw/zinc/02/63/88/690026388.db2.gz XGQZUUPQUHIERN-ZFWWWQNUSA-N 0 3 307.781 2.034 20 30 DEEDHN Cc1cc2c(CCNC(=O)[C@@H](N)CCCC#N)c[nH]c2cc1F ZINC000877207562 690046194 /nfs/dbraw/zinc/04/61/94/690046194.db2.gz AYZJLAFYRUGLQU-HNNXBMFYSA-N 0 3 316.380 2.295 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccnn1-c1ccc(F)cc1 ZINC000877230566 690051158 /nfs/dbraw/zinc/05/11/58/690051158.db2.gz AEFSVGXTGAMONE-CQSZACIVSA-N 0 3 315.352 2.361 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccnn1-c1ccc(F)cc1 ZINC000877230564 690051411 /nfs/dbraw/zinc/05/14/11/690051411.db2.gz AEFSVGXTGAMONE-AWEZNQCLSA-N 0 3 315.352 2.361 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC[C@H]1c1ccc(OC)cc1 ZINC000877271082 690061910 /nfs/dbraw/zinc/06/19/10/690061910.db2.gz MJUVRZUQTBNWBU-GJZGRUSLSA-N 0 3 324.808 2.065 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035237729 690070042 /nfs/dbraw/zinc/07/00/42/690070042.db2.gz SQLSTNPRXMDGNL-HOTGVXAUSA-N 0 3 324.440 2.252 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877341626 690081273 /nfs/dbraw/zinc/08/12/73/690081273.db2.gz VJFKAPYBOLHBTF-MRXNPFEDSA-N 0 3 323.396 2.091 20 30 DEEDHN CON=Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC000877347133 690084076 /nfs/dbraw/zinc/08/40/76/690084076.db2.gz RHKSAADBMSHCSB-SFHVURJKSA-N 0 3 323.396 2.111 20 30 DEEDHN C=CCC[C@@H](CO)NCc1cc(Br)cnc1OC ZINC000877574974 690155953 /nfs/dbraw/zinc/15/59/53/690155953.db2.gz BBAMAQCUIINAFA-LBPRGKRZSA-N 0 3 315.211 2.269 20 30 DEEDHN CC(C)(C)N1C[C@H](CNCc2cc(C#N)cnc2Cl)CC1=O ZINC000877636205 690174782 /nfs/dbraw/zinc/17/47/82/690174782.db2.gz PVGFVOMTGBSHBY-LBPRGKRZSA-N 0 3 320.824 2.343 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnn3ccccc13)CC2 ZINC001035823301 690185112 /nfs/dbraw/zinc/18/51/12/690185112.db2.gz GUHOWDVRJMQVDD-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1nc(C)oc1C)CC2 ZINC001035824331 690185788 /nfs/dbraw/zinc/18/57/88/690185788.db2.gz ZRWMHGLFWJJARH-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 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/nfs/dbraw/zinc/48/42/84/691484284.db2.gz FSBMNRQQKGFMRE-INIZCTEOSA-N 0 3 321.465 2.428 20 30 DEEDHN Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001042058749 691494402 /nfs/dbraw/zinc/49/44/02/691494402.db2.gz VITWTSJYRCCBHX-IEBWSBKVSA-N 0 3 323.440 2.226 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccn4c(C)cnc4c3)C[C@H]21 ZINC001042061438 691495219 /nfs/dbraw/zinc/49/52/19/691495219.db2.gz FQGXKCMJSNBPSI-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C[C@@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(OCC#N)cc1 ZINC000883395169 691496348 /nfs/dbraw/zinc/49/63/48/691496348.db2.gz OLBNCNOZKAHXSP-CZUORRHYSA-N 0 3 313.401 2.250 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccn(C(C)(C)C)n3)C[C@H]21 ZINC001042073978 691499581 /nfs/dbraw/zinc/49/95/81/691499581.db2.gz BXFAJJZMUVHOIG-GOEBONIOSA-N 0 3 316.449 2.361 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccnn3CCC)C[C@H]21 ZINC001042075798 691500624 /nfs/dbraw/zinc/50/06/24/691500624.db2.gz NWKYJCOONMWBES-GDBMZVCRSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H]2CCN(CC#CC)[C@@H]2C1 ZINC001042096477 691507412 /nfs/dbraw/zinc/50/74/12/691507412.db2.gz YPLGVEAEWVNOSI-SJLPKXTDSA-N 0 3 311.429 2.234 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cn4cc(C)ccc4n3)C[C@H]21 ZINC001042115451 691512717 /nfs/dbraw/zinc/51/27/17/691512717.db2.gz WLQHXCLXEDCNTK-NVXWUHKLSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)c3cccnc3)C[C@H]21 ZINC001042124560 691514240 /nfs/dbraw/zinc/51/42/40/691514240.db2.gz HYTNUFATMBBXOQ-NVXWUHKLSA-N 0 3 313.445 2.468 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cn(C(C)C)cn3)C[C@@H]21 ZINC001042165635 691527913 /nfs/dbraw/zinc/52/79/13/691527913.db2.gz NEOLLUDBRMOUTJ-HOCLYGCPSA-N 0 3 302.422 2.186 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@H]21 ZINC001042167163 691527929 /nfs/dbraw/zinc/52/79/29/691527929.db2.gz IZFZBKVEKXFRJN-IUODEOHRSA-N 0 3 301.390 2.274 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3nccc4[nH]ccc43)C[C@H]21 ZINC001042240862 691544957 /nfs/dbraw/zinc/54/49/57/691544957.db2.gz OMAKDNVNKWEMGN-XJKSGUPXSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnnc4ccccc43)C[C@@H]21 ZINC001042247842 691547114 /nfs/dbraw/zinc/54/71/14/691547114.db2.gz RJVYULXKTKISRK-KSSFIOAISA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@H]21 ZINC001042251750 691548710 /nfs/dbraw/zinc/54/87/10/691548710.db2.gz GIQMZPMTJGEOTD-CZUORRHYSA-N 0 3 312.417 2.076 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C[C@H]21 ZINC001042253397 691549667 /nfs/dbraw/zinc/54/96/67/691549667.db2.gz HEXYGWPKXZKQGI-VQIMIIECSA-N 0 3 321.424 2.499 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)C[C@H]21 ZINC001042282755 691556634 /nfs/dbraw/zinc/55/66/34/691556634.db2.gz FXGPHABTNOBRLX-RHSMWYFYSA-N 0 3 322.412 2.123 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3nc(C)oc3C)C[C@H]21 ZINC001042286092 691557565 /nfs/dbraw/zinc/55/75/65/691557565.db2.gz VKWCNAUGMCIRQE-HUUCEWRRSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CC)CCOCC3)C[C@H]21 ZINC001042292264 691558824 /nfs/dbraw/zinc/55/88/24/691558824.db2.gz OELMCJPHYRJYLA-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC000883667938 691559727 /nfs/dbraw/zinc/55/97/27/691559727.db2.gz JHZZBKIAEHSLHY-SJORKVTESA-N 0 3 317.408 2.266 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C[C@@H]21 ZINC001042309438 691565023 /nfs/dbraw/zinc/56/50/23/691565023.db2.gz LHSHKVRWSIBGMA-KDOFPFPSSA-N 0 3 311.429 2.063 20 30 DEEDHN C=C(C)C[C@H](CO)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000883691523 691566135 /nfs/dbraw/zinc/56/61/35/691566135.db2.gz JMUUACMTMHVOIL-KFWWJZLASA-N 0 3 323.437 2.335 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ncccc3OC)C[C@H]21 ZINC001042326999 691571365 /nfs/dbraw/zinc/57/13/65/691571365.db2.gz LGDGZTJTTBYNIT-LSDHHAIUSA-N 0 3 315.417 2.203 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@H]21 ZINC001042341157 691576459 /nfs/dbraw/zinc/57/64/59/691576459.db2.gz JUOUQQPSGMNEHG-SJLPKXTDSA-N 0 3 314.404 2.314 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@@H]21 ZINC001042345053 691577607 /nfs/dbraw/zinc/57/76/07/691577607.db2.gz HFOAKNULBHOILE-GJZGRUSLSA-N 0 3 317.458 2.320 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)COc3cccc(C)c3)C[C@H]21 ZINC001042352699 691580241 /nfs/dbraw/zinc/58/02/41/691580241.db2.gz AYNHSANVHYLTHH-SJLPKXTDSA-N 0 3 314.429 2.483 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCc3nccs3)C[C@@H]21 ZINC001042363300 691582301 /nfs/dbraw/zinc/58/23/01/691582301.db2.gz QSRZXGHHXIYEII-CABCVRRESA-N 0 3 317.458 2.022 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@@H]21 ZINC001042360899 691582593 /nfs/dbraw/zinc/58/25/93/691582593.db2.gz YIHKDYHRTBTUAE-CABCVRRESA-N 0 3 317.458 2.320 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccccc1Cl)C2 ZINC000884046388 691640552 /nfs/dbraw/zinc/64/05/52/691640552.db2.gz CEJPSRHEXPAZNB-UYJPIKCFSA-N 0 3 303.793 2.096 20 30 DEEDHN CC(C)CCn1nccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884062805 691644754 /nfs/dbraw/zinc/64/47/54/691644754.db2.gz BONDCXSWTKHXJC-XOYHFGRZSA-N 0 3 315.421 2.007 20 30 DEEDHN C[C@@H](c1ccccc1F)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884072256 691647178 /nfs/dbraw/zinc/64/71/78/691647178.db2.gz WCKIXEJODMFARW-DWBBHFSCSA-N 0 3 315.392 2.484 20 30 DEEDHN C[C@H](c1ccccc1F)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884072255 691647228 /nfs/dbraw/zinc/64/72/28/691647228.db2.gz WCKIXEJODMFARW-CZJPOVKDSA-N 0 3 315.392 2.484 20 30 DEEDHN C[C@H](Cc1ccccc1F)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884080853 691649203 /nfs/dbraw/zinc/64/92/03/691649203.db2.gz HIDISKNZMOFNRT-PBIRYHDKSA-N 0 3 315.392 2.012 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@H](c3ccccc3)C1)C2 ZINC000884082408 691649888 /nfs/dbraw/zinc/64/98/88/691649888.db2.gz GNVAHXFGFYQJLJ-SDDULXJBSA-N 0 3 309.413 2.142 20 30 DEEDHN C[C@@H](CN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884121878 691659570 /nfs/dbraw/zinc/65/95/70/691659570.db2.gz AVCAXKWIDCEHMT-JGWYNZBZSA-N 0 3 311.429 2.388 20 30 DEEDHN Cc1ccc2c(c1)N(C(=O)C1CC3(C1)CNC[C@@H]3C#N)CCC2 ZINC000884134800 691663353 /nfs/dbraw/zinc/66/33/53/691663353.db2.gz RWQODDXKRFMDGB-WUJZJPHMSA-N 0 3 309.413 2.414 20 30 DEEDHN Cc1cccc2c1CCCN2C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884139388 691663925 /nfs/dbraw/zinc/66/39/25/691663925.db2.gz QPAMDXKUDWGQIM-HVEKOLDVSA-N 0 3 309.413 2.414 20 30 DEEDHN COc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)ccc1Cl ZINC000884306737 691705839 /nfs/dbraw/zinc/70/58/39/691705839.db2.gz MJRHMYCWVSUTHR-NOEPWBJOSA-N 0 3 319.792 2.426 20 30 DEEDHN C=CCC1(O)CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000884307714 691706343 /nfs/dbraw/zinc/70/63/43/691706343.db2.gz SCTIXMJKEJYRGU-OAHLLOKOSA-N 0 3 323.481 2.219 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1c[nH]nc1-c1ccccc1)C2 ZINC000884311694 691706918 /nfs/dbraw/zinc/70/69/18/691706918.db2.gz JHZROLMGKHEIGD-TXKKKEFDSA-N 0 3 321.384 2.155 20 30 DEEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Cl)cn1 ZINC000884333650 691712030 /nfs/dbraw/zinc/71/20/30/691712030.db2.gz UFBVTTSZVUDHHV-QZCIIZHISA-N 0 3 318.808 2.052 20 30 DEEDHN CC1(NC(=O)C2CC3(C2)CNC[C@H]3C#N)CCC(F)(F)CC1 ZINC000884432165 691737667 /nfs/dbraw/zinc/73/76/67/691737667.db2.gz UUPVPGRVQZUCFY-MQYJIDSJSA-N 0 3 311.376 2.210 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1c(OC)cccc1SC ZINC000931770465 694474941 /nfs/dbraw/zinc/47/49/41/694474941.db2.gz VIZWMHFTGMCPOE-UHFFFAOYSA-N 0 3 321.446 2.494 20 30 DEEDHN CC[C@@H](CO)NCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000931770581 694475206 /nfs/dbraw/zinc/47/52/06/694475206.db2.gz GHXOSRWKJCHNCY-OLZOCXBDSA-N 0 3 321.446 2.237 20 30 DEEDHN Cc1nc(CN[C@@H]2CCN(C(=O)C#CC3CC3)[C@H](C)C2)cs1 ZINC001044594253 691854991 /nfs/dbraw/zinc/85/49/91/691854991.db2.gz RSESNCCEVKITAA-IUODEOHRSA-N 0 3 317.458 2.334 20 30 DEEDHN Cc1cnc(CN[C@H]2CCN(C(=O)C#CC3CC3)[C@@H](C)C2)s1 ZINC001044601010 691855422 /nfs/dbraw/zinc/85/54/22/691855422.db2.gz BLURVXNGCZAXSZ-WFASDCNBSA-N 0 3 317.458 2.334 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCCN2C(=O)c2cocn2)s1 ZINC001044958451 691919761 /nfs/dbraw/zinc/91/97/61/691919761.db2.gz MNLYGNVCHDXRED-NSHDSACASA-N 0 3 316.386 2.002 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H]1CCCN1C(=O)[C@H](C)C#N ZINC001044960961 691920645 /nfs/dbraw/zinc/92/06/45/691920645.db2.gz JLCSSEIFHFUIJB-ZBFHGGJFSA-N 0 3 315.417 2.244 20 30 DEEDHN CC1(NC(=O)c2ccn[nH]2)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001045369916 691971992 /nfs/dbraw/zinc/97/19/92/691971992.db2.gz BSEDVSIIDBWACD-UHFFFAOYSA-N 0 3 323.400 2.066 20 30 DEEDHN Cc1nccc([C@@H]2CCCN(C[C@H](O)CC3(C#N)CCC3)C2)n1 ZINC000885960063 691972305 /nfs/dbraw/zinc/97/23/05/691972305.db2.gz GPKRQEHEBXMTQM-HZPDHXFCSA-N 0 3 314.433 2.409 20 30 DEEDHN COc1cccc2c1CCN(C[C@H](O)CC1(C#N)CCC1)C2 ZINC000886122845 692007790 /nfs/dbraw/zinc/00/77/90/692007790.db2.gz LPXQRGCNVBBLTF-OAHLLOKOSA-N 0 3 300.402 2.498 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#CC ZINC001045781146 692027252 /nfs/dbraw/zinc/02/72/52/692027252.db2.gz YTCRPTPVHZIXGM-XDNAFOTISA-N 0 3 316.445 2.056 20 30 DEEDHN N#CC1(C[C@@H](O)CN2CCOC(C3CC3)(C3CC3)C2)CCC1 ZINC000886284411 692044519 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CC#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)C2)CC1 ZINC001050570538 693208872 /nfs/dbraw/zinc/20/88/72/693208872.db2.gz CZSSPWIYFWDNMN-GVDBMIGSSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3occc3CC)C2)CC1 ZINC001050648253 693223646 /nfs/dbraw/zinc/22/36/46/693223646.db2.gz HHGWBNLVRCRDME-UHFFFAOYSA-N 0 3 300.402 2.403 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3occc3C)C2)CC1 ZINC001050657931 693225512 /nfs/dbraw/zinc/22/55/12/693225512.db2.gz WDVINMBFCKNTPU-UHFFFAOYSA-N 0 3 300.402 2.078 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cc([C@H](C)CC)no3)C2)CC1 ZINC001050692379 693233081 /nfs/dbraw/zinc/23/30/81/693233081.db2.gz XGAYXBOGMKYUPA-CQSZACIVSA-N 0 3 315.417 2.359 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccccc3C)C2)CC1 ZINC001050752941 693244316 /nfs/dbraw/zinc/24/43/16/693244316.db2.gz YNQOMXSNUITDLI-UHFFFAOYSA-N 0 3 310.441 2.485 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H](C)n3c(C)ccc3C)C2)CC1 ZINC001050765825 693246805 /nfs/dbraw/zinc/24/68/05/693246805.db2.gz XWCPWQMZOYFJEH-QGZVFWFLSA-N 0 3 313.445 2.224 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3COc4ccccc43)C2)CC1 ZINC001050774732 693248298 /nfs/dbraw/zinc/24/82/98/693248298.db2.gz NXJATDDQLXKBBD-KRWDZBQOSA-N 0 3 324.424 2.110 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001051315222 693337148 /nfs/dbraw/zinc/33/71/48/693337148.db2.gz YEFFJKWRRSMLKM-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1CCN([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001051973157 693421067 /nfs/dbraw/zinc/42/10/67/693421067.db2.gz UVCHSDCOEXPXLN-QGZVFWFLSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C(C)CCN1CCN([C@H]2CCN(C(=O)C3CC=CC3)C2)CC1 ZINC001052002734 693426447 /nfs/dbraw/zinc/42/64/47/693426447.db2.gz LCDUJUHTMJOCBK-SFHVURJKSA-N 0 3 317.477 2.137 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)C3(C(C)C)CC3)C2)CC1 ZINC001052079164 693439643 /nfs/dbraw/zinc/43/96/43/693439643.db2.gz FLOJGXMTMREKAY-QGZVFWFLSA-N 0 3 319.493 2.217 20 30 DEEDHN C=C1CCC(CNC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CC1 ZINC000926544035 693468121 /nfs/dbraw/zinc/46/81/21/693468121.db2.gz UJWRONDWHNGQRI-HOTGVXAUSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCN(Cc3ccccc3)[C@H]2C)nn1 ZINC000926616448 693479472 /nfs/dbraw/zinc/47/94/72/693479472.db2.gz UUZBJCHKTOPZLB-YJBOKZPZSA-N 0 3 311.433 2.217 20 30 DEEDHN CC[C@H](F)CN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052318699 693506116 /nfs/dbraw/zinc/50/61/16/693506116.db2.gz HIVUPJZQGAYQDB-KBPBESRZSA-N 0 3 306.385 2.219 20 30 DEEDHN CC[C@@H](F)CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052318702 693506395 /nfs/dbraw/zinc/50/63/95/693506395.db2.gz HIVUPJZQGAYQDB-ZIAGYGMSSA-N 0 3 306.385 2.219 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC001052370698 693517528 /nfs/dbraw/zinc/51/75/28/693517528.db2.gz DOOCINWBJKJIQL-HNNXBMFYSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccn(C3CCCC3)n2)CC1 ZINC001052422024 693530373 /nfs/dbraw/zinc/53/03/73/693530373.db2.gz KDSQKQZJKKTYNF-OAHLLOKOSA-N 0 3 314.433 2.216 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001052492291 693548045 /nfs/dbraw/zinc/54/80/45/693548045.db2.gz QNXRKBJPLXTCPC-OWCLPIDISA-N 0 3 302.443 2.456 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2F)CC1 ZINC001052535629 693561673 /nfs/dbraw/zinc/56/16/73/693561673.db2.gz VTKOECXFIUZECH-CYBMUJFWSA-N 0 3 304.365 2.052 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(Cl)cn2C)CC1 ZINC001052545773 693564194 /nfs/dbraw/zinc/56/41/94/693564194.db2.gz PJWCHGALUBBVEB-AWEZNQCLSA-N 0 3 307.825 2.286 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cnc3cnccc3c2)CC1 ZINC001052562732 693568613 /nfs/dbraw/zinc/56/86/13/693568613.db2.gz ZNBUQTFTAMYURK-KRWDZBQOSA-N 0 3 322.412 2.237 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2c(C)onc2C2CC2)CC1 ZINC001052567996 693569951 /nfs/dbraw/zinc/56/99/51/693569951.db2.gz JOTAFERYOISGDX-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2c(C)noc2C2CC2)CC1 ZINC001052569016 693571127 /nfs/dbraw/zinc/57/11/27/693571127.db2.gz TTXJJYBOXGQBCT-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C(C)(C)c2c(C)noc2C)CC1 ZINC001052644881 693587719 /nfs/dbraw/zinc/58/77/19/693587719.db2.gz CIZPMYOPYQJKJX-HNNXBMFYSA-N 0 3 317.433 2.173 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2nc(Cl)cs2)CC1 ZINC001052655725 693590184 /nfs/dbraw/zinc/59/01/84/693590184.db2.gz HKXPVOWQMHRBQR-NSHDSACASA-N 0 3 311.838 2.404 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCCN(C[C@H](F)CC)CC2)c1 ZINC001052695646 693597367 /nfs/dbraw/zinc/59/73/67/693597367.db2.gz KVBFMLQZTKQSSI-SJORKVTESA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cnc(C3CC3)s2)CC1 ZINC001052879658 693639425 /nfs/dbraw/zinc/63/94/25/693639425.db2.gz CRLATXQJXAFZHO-ZDUSSCGKSA-N 0 3 303.431 2.238 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2OC)CC1 ZINC001052881274 693640471 /nfs/dbraw/zinc/64/04/71/693640471.db2.gz WVYRISUYAQNOTD-HNNXBMFYSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC001052902787 693645074 /nfs/dbraw/zinc/64/50/74/693645074.db2.gz 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C=CCN1CC[C@]2(NC(=O)[C@@H](OC)C3CCCC3)CCC[C@H]12 ZINC001332121984 1149821961 /nfs/dbraw/zinc/82/19/61/1149821961.db2.gz ZTANPZDOKRNQHD-XYJFISCASA-N 0 3 306.450 2.491 20 30 DEEDHN Cn1nc(C2CC2)cc1CNCCC(=O)Nc1cccc(C#N)c1 ZINC001335318661 1150395871 /nfs/dbraw/zinc/39/58/71/1150395871.db2.gz JCDVSFKCZTYHQL-UHFFFAOYSA-N 0 3 323.400 2.288 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1 ZINC001344558155 1150829707 /nfs/dbraw/zinc/82/97/07/1150829707.db2.gz OBNULJZSYFRUDC-PBHICJAKSA-N 0 3 317.389 2.264 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCn2nc(C(C)(C)C)cc2C1 ZINC001344946988 1150853827 /nfs/dbraw/zinc/85/38/27/1150853827.db2.gz MMAXZVQNIFBDLL-CQSZACIVSA-N 0 3 304.438 2.206 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@]2(CCOC2=O)C1 ZINC001346210522 1150951934 /nfs/dbraw/zinc/95/19/34/1150951934.db2.gz UCYYNPFZWDBOJK-WMLDXEAASA-N 0 3 310.438 2.230 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(NC(=O)CN(CC)CC)CC1 ZINC001350916476 1151426667 /nfs/dbraw/zinc/42/66/67/1151426667.db2.gz 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C[C@H](CN(C)C(=O)CC1CC1)NCc1ccc(F)c(C#N)c1 ZINC001382038083 1153327020 /nfs/dbraw/zinc/32/70/20/1153327020.db2.gz DXNAMGRWGFNJRD-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN CCN1C[C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C(C)(C)C1 ZINC001363652933 1153529049 /nfs/dbraw/zinc/52/90/49/1153529049.db2.gz MFMBJBVEVKIRFB-CZUORRHYSA-N 0 3 315.417 2.172 20 30 DEEDHN C#CCN(C(=O)CC(C)(C)O)C1CCN(CC=C(C)C)CC1 ZINC001569586643 1153990724 /nfs/dbraw/zinc/99/07/24/1153990724.db2.gz PSPKVJHYYXALEU-UHFFFAOYSA-N 0 3 306.450 2.040 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1OCC ZINC001388759016 1155082315 /nfs/dbraw/zinc/08/23/15/1155082315.db2.gz GNIUBSGPGCBRSN-MRVWCRGKSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC001389910367 1155468917 /nfs/dbraw/zinc/46/89/17/1155468917.db2.gz VRHXTJXTWOSERD-AAVRWANBSA-N 0 3 300.830 2.323 20 30 DEEDHN C[C@H](CNC(=O)CC(C)(F)F)NCc1ccc(F)c(C#N)c1 ZINC001390465881 1155736926 /nfs/dbraw/zinc/73/69/26/1155736926.db2.gz GXTYLYZJKSLMHT-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1ccoc1 ZINC001390646599 1155825351 /nfs/dbraw/zinc/82/53/51/1155825351.db2.gz HVSWACBAUGWCPW-SNVBAGLBSA-N 0 3 301.184 2.286 20 30 DEEDHN Cc1cnoc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001371864999 1156045732 /nfs/dbraw/zinc/04/57/32/1156045732.db2.gz BTUBIRCQIOOENK-CYBMUJFWSA-N 0 3 312.373 2.153 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372652955 1156642390 /nfs/dbraw/zinc/64/23/90/1156642390.db2.gz HZIWUUAAUMXIAC-SJORKVTESA-N 0 3 317.408 2.490 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](O)C(C)C)CCCCC1 ZINC001403260490 1162830390 /nfs/dbraw/zinc/83/03/90/1162830390.db2.gz WCIWNHALKFOLSU-CYBMUJFWSA-N 0 3 302.846 2.165 20 30 DEEDHN CCCC[C@H](CNCc1cnc(C)s1)NC(=O)[C@H](C)C#N ZINC001403283132 1162837333 /nfs/dbraw/zinc/83/73/33/1162837333.db2.gz ULFATYVPLSPUDU-DGCLKSJQSA-N 0 3 308.451 2.376 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)SC)NCc1ccc(C#N)s1 ZINC001373736464 1157324143 /nfs/dbraw/zinc/32/41/43/1157324143.db2.gz NGSFTMZJGVDHNM-WDEREUQCSA-N 0 3 311.476 2.356 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H]1CCCOC1)NCc1ccc(C#N)s1 ZINC001373741330 1157329741 /nfs/dbraw/zinc/32/97/41/1157329741.db2.gz VYWVSJHRDUOZLY-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)C2CCC2)C2CC2)s1 ZINC001392756304 1157389986 /nfs/dbraw/zinc/38/99/86/1157389986.db2.gz NOGLUTRNDIFWCE-HNNXBMFYSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnn3cc[nH]c23)CCCC1 ZINC001373862776 1157416455 /nfs/dbraw/zinc/41/64/55/1157416455.db2.gz VKIAGPLCMNKUGD-UHFFFAOYSA-N 0 3 321.812 2.047 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(OC)ccn1)C1CC1 ZINC001373882151 1157430685 /nfs/dbraw/zinc/43/06/85/1157430685.db2.gz AWFXDXYVXWPEFT-MRXNPFEDSA-N 0 3 323.824 2.331 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(F)F)CC2)cc1 ZINC001392898409 1157526716 /nfs/dbraw/zinc/52/67/16/1157526716.db2.gz IINKZSCPTQWWBX-KBPBESRZSA-N 0 3 319.355 2.198 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001393819977 1158008362 /nfs/dbraw/zinc/00/83/62/1158008362.db2.gz ANFRRCGKAPECIG-WCFLWFBJSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3[nH]cnc32)C1 ZINC001393902874 1158055853 /nfs/dbraw/zinc/05/58/53/1158055853.db2.gz GRCQPRIFTPEYBH-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)CCCF)C1 ZINC001393904902 1158057353 /nfs/dbraw/zinc/05/73/53/1158057353.db2.gz IUKWPFKXSUMYKL-UHFFFAOYSA-N 0 3 303.381 2.292 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)CCCF ZINC001393979843 1158128825 /nfs/dbraw/zinc/12/88/25/1158128825.db2.gz VDZCNUFEHMQRPH-VXGBXAGGSA-N 0 3 309.360 2.430 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C[C@@H]1CCCO1 ZINC001375011472 1158200873 /nfs/dbraw/zinc/20/08/73/1158200873.db2.gz UNCVLKDCZYCBBU-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394122134 1158314656 /nfs/dbraw/zinc/31/46/56/1158314656.db2.gz BGDHVHBKSSPOHJ-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN Cc1conc1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394130972 1158324087 /nfs/dbraw/zinc/32/40/87/1158324087.db2.gz WFMKAMTUYVBODC-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001375774190 1158868379 /nfs/dbraw/zinc/86/83/79/1158868379.db2.gz VPRJXSKXWZXBJP-AWEZNQCLSA-N 0 3 310.401 2.189 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cn1nccc1C ZINC001376026114 1159058496 /nfs/dbraw/zinc/05/84/96/1159058496.db2.gz SRRNGVUDESTTTI-HUUCEWRRSA-N 0 3 324.856 2.303 20 30 DEEDHN CCC1(C(=O)NC[C@H](C)NCc2ccc(OC)c(C#N)c2)CC1 ZINC001376806046 1159807574 /nfs/dbraw/zinc/80/75/74/1159807574.db2.gz UEXZWTZWUVBVMN-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)CCCF)C1 ZINC001376936149 1159850578 /nfs/dbraw/zinc/85/05/78/1159850578.db2.gz FBZAPERGXDIYMP-AWEZNQCLSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)COC(C)(C)C ZINC001377011776 1159875306 /nfs/dbraw/zinc/87/53/06/1159875306.db2.gz FWAVJDOUFQDHPJ-NSHDSACASA-N 0 3 321.259 2.195 20 30 DEEDHN C[C@H](C#N)C(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001377136265 1159955106 /nfs/dbraw/zinc/95/51/06/1159955106.db2.gz ZFRGJJGMLCGRMW-WBMJQRKESA-N 0 3 303.381 2.411 20 30 DEEDHN CC[C@H](F)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001397739474 1160433332 /nfs/dbraw/zinc/43/33/32/1160433332.db2.gz NZLSFPRNDCRTCH-SNPRPXQTSA-N 0 3 320.412 2.465 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(COCC)CC2)C1 ZINC001377714399 1160773845 /nfs/dbraw/zinc/77/38/45/1160773845.db2.gz SRNSWWZBCHXBRI-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1ccccn1 ZINC001377770398 1160815422 /nfs/dbraw/zinc/81/54/22/1160815422.db2.gz PUYRRSPKOHVINB-VXGBXAGGSA-N 0 3 314.414 2.311 20 30 DEEDHN COCCC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001398822627 1161115304 /nfs/dbraw/zinc/11/53/04/1161115304.db2.gz APVVUUULLCSJIK-UHFFFAOYSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCO[C@@H]2C)CCCC1 ZINC001401191402 1161890284 /nfs/dbraw/zinc/89/02/84/1161890284.db2.gz XTPKALKMEZXWHH-CHWSQXEVSA-N 0 3 300.830 2.183 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)c1ccoc1 ZINC001401665062 1162066504 /nfs/dbraw/zinc/06/65/04/1162066504.db2.gz DSLSPCHPYJUMLF-LBPRGKRZSA-N 0 3 313.357 2.068 20 30 DEEDHN Cc1ccncc1CN1CC[C@]2(NC(=O)[C@@H](C)C#N)CCC[C@H]12 ZINC001403805587 1163207342 /nfs/dbraw/zinc/20/73/42/1163207342.db2.gz VTMZTBDJFCRYRG-QILLFSRXSA-N 0 3 312.417 2.163 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@H]1CC12CC2 ZINC001405693261 1164188865 /nfs/dbraw/zinc/18/88/65/1164188865.db2.gz LGWGDHQKXLOMRH-MLGOLLRUSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@H]1CCCCO1)C(C)C ZINC001406023129 1164394253 /nfs/dbraw/zinc/39/42/53/1164394253.db2.gz UYLNSRXJKNDUDJ-KGLIPLIRSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC(F)(F)F ZINC001406337594 1164541117 /nfs/dbraw/zinc/54/11/17/1164541117.db2.gz KDWLJPNMBYEDBQ-SECBINFHSA-N 0 3 317.286 2.244 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001406611083 1164728329 /nfs/dbraw/zinc/72/83/29/1164728329.db2.gz LBDGCTGLGLSZJG-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)CC(F)(F)F)CC2)cc1 ZINC001406911842 1164880672 /nfs/dbraw/zinc/88/06/72/1164880672.db2.gz QHUSRWZWIMIVEO-UHFFFAOYSA-N 0 3 311.307 2.249 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H](C)C2CC2)CCOCC1 ZINC001408036720 1165441621 /nfs/dbraw/zinc/44/16/21/1165441621.db2.gz CYWZLLTXMJSAED-GFCCVEGCSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H]1CC1(C)C ZINC001408177609 1165518750 /nfs/dbraw/zinc/51/87/50/1165518750.db2.gz VELJYHUYFRUIFN-QWRGUYRKSA-N 0 3 303.244 2.426 20 30 DEEDHN C[C@@H](CCNC(=O)[C@H]1CC12CC2)NCc1cc(C#N)ccc1F ZINC001408218284 1165536215 /nfs/dbraw/zinc/53/62/15/1165536215.db2.gz NGZYSNQQLKCSDR-SWLSCSKDSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)[nH]c(=O)c1 ZINC001418143669 1167436319 /nfs/dbraw/zinc/43/63/19/1167436319.db2.gz JFVPRIYVNNRZDH-CQSZACIVSA-N 0 3 306.325 2.288 20 30 DEEDHN COCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H](C)C#N)cc1 ZINC001418593622 1167831681 /nfs/dbraw/zinc/83/16/81/1167831681.db2.gz NDHJDFYSCRFJIZ-RHSMWYFYSA-N 0 3 315.417 2.073 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1OCC ZINC001418747800 1167938569 /nfs/dbraw/zinc/93/85/69/1167938569.db2.gz RGSMKLYZUXRBAR-VXGBXAGGSA-N 0 3 324.799 2.237 20 30 DEEDHN CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001419452151 1168499284 /nfs/dbraw/zinc/49/92/84/1168499284.db2.gz KODODXQZFAJPFH-IYBDPMFKSA-N 0 3 315.417 2.494 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)C1(C(F)F)CC1 ZINC001419472339 1168515765 /nfs/dbraw/zinc/51/57/65/1168515765.db2.gz UKRZNLRVVBOCLZ-GFCCVEGCSA-N 0 3 321.371 2.445 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2c(C)cnn2C)CCCC1 ZINC001419621686 1168696886 /nfs/dbraw/zinc/69/68/86/1168696886.db2.gz RYOLNCGDLAXQNA-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001419675701 1168793013 /nfs/dbraw/zinc/79/30/13/1168793013.db2.gz ZRMUSWSJAACKLU-IGEOTXOUSA-N 0 3 310.401 2.235 20 30 DEEDHN Cc1ccncc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001420275393 1169309518 /nfs/dbraw/zinc/30/95/18/1169309518.db2.gz GFTJSBHLHYRLRZ-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420411693 1169500638 /nfs/dbraw/zinc/50/06/38/1169500638.db2.gz JVIHNRAGWJBRBD-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3ccncc3F)CC2)c1 ZINC001420922991 1171350220 /nfs/dbraw/zinc/35/02/20/1171350220.db2.gz SSQYVSKNWDLCNM-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN COc1ccc(CN2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)cc1 ZINC001421137873 1171521716 /nfs/dbraw/zinc/52/17/16/1171521716.db2.gz KBLOSPNDQFBCOO-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)COC(C)(C)C ZINC001421881994 1172084425 /nfs/dbraw/zinc/08/44/25/1172084425.db2.gz BEYCZCLZQNMVOO-LBPRGKRZSA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001422137140 1172333506 /nfs/dbraw/zinc/33/35/06/1172333506.db2.gz VYGAAPKVXXXKOP-KBPBESRZSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001422275117 1172453350 /nfs/dbraw/zinc/45/33/50/1172453350.db2.gz FKYATJWMCKAEMY-POOIEITISA-N 0 3 315.255 2.426 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC12CC2 ZINC001422566978 1172715911 /nfs/dbraw/zinc/71/59/11/1172715911.db2.gz NEHVDJKGHLKJBW-RISCZKNCSA-N 0 3 301.365 2.092 20 30 DEEDHN COC[C@H](C)CC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001422577485 1172724447 /nfs/dbraw/zinc/72/44/47/1172724447.db2.gz VHVHZSMDACBDFU-CABCVRRESA-N 0 3 317.433 2.167 20 30 DEEDHN CS[C@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001422975079 1172989968 /nfs/dbraw/zinc/98/99/68/1172989968.db2.gz YUSAWRFTNGJIKS-YGRLFVJLSA-N 0 3 323.487 2.356 20 30 DEEDHN Cc1cc(C(=O)N(C)C[C@@H](C)NCc2ccc(C#N)s2)on1 ZINC001423030785 1173029099 /nfs/dbraw/zinc/02/90/99/1173029099.db2.gz SRMIWIXISPTSSK-LLVKDONJSA-N 0 3 318.402 2.167 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3cscn3)CC2)cc1 ZINC001423201522 1173163508 /nfs/dbraw/zinc/16/35/08/1173163508.db2.gz PKJSKEXLFUVDDA-UHFFFAOYSA-N 0 3 312.398 2.067 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(C2CCN(CCC(F)(F)F)CC2)CC1 ZINC001423695490 1173496405 /nfs/dbraw/zinc/49/64/05/1173496405.db2.gz VUZVKSYLZLOGPD-LLVKDONJSA-N 0 3 317.355 2.459 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001424264477 1173724155 /nfs/dbraw/zinc/72/41/55/1173724155.db2.gz WRKMVDVCSOIDFQ-OCCSQVGLSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001424941555 1174046439 /nfs/dbraw/zinc/04/64/39/1174046439.db2.gz RODNFIGAGDHXGJ-NEPJUHHUSA-N 0 3 310.829 2.019 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccncc1)NCc1ccc(C#N)s1 ZINC001425532764 1174354056 /nfs/dbraw/zinc/35/40/56/1174354056.db2.gz UQJOCOLXSLFINW-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC001434456716 1178582566 /nfs/dbraw/zinc/58/25/66/1178582566.db2.gz GRTLOEQKNABICB-SJLPKXTDSA-N 0 3 308.385 2.261 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001437714038 1179898635 /nfs/dbraw/zinc/89/86/35/1179898635.db2.gz DGLULHONOFKGDO-DLBZAZTESA-N 0 3 317.408 2.490 20 30 DEEDHN CCCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(F)c(F)c1 ZINC001437745478 1179934383 /nfs/dbraw/zinc/93/43/83/1179934383.db2.gz MIIALDQRACSGMV-LBPRGKRZSA-N 0 3 309.360 2.453 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cnon2)CCCC[C@H]1C ZINC001438431333 1180417178 /nfs/dbraw/zinc/41/71/78/1180417178.db2.gz IONQFMAOQZIWQL-QMTHXVAHSA-N 0 3 312.801 2.090 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)CC(C)(F)F ZINC001438519793 1180530489 /nfs/dbraw/zinc/53/04/89/1180530489.db2.gz KTQDKXFIKPHLSB-LBPRGKRZSA-N 0 3 309.360 2.445 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(C)C ZINC001438829916 1180824622 /nfs/dbraw/zinc/82/46/22/1180824622.db2.gz QNGNGKZLHJWEMO-RRFJBIMHSA-N 0 3 324.856 2.007 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2cncs2)C1 ZINC001440303259 1181436116 /nfs/dbraw/zinc/43/61/16/1181436116.db2.gz KJNCJJSGVANWLW-TXEJJXNPSA-N 0 3 313.854 2.313 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001440349953 1181460117 /nfs/dbraw/zinc/46/01/17/1181460117.db2.gz KAWPANGELHRKJF-JOCQHMNTSA-N 0 3 323.824 2.252 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CC2CCC2)CCOCC1 ZINC001440564671 1181597179 /nfs/dbraw/zinc/59/71/79/1181597179.db2.gz JRDSGDQCRWOCTL-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2cccc(OC)c2)C1 ZINC001440760136 1181677872 /nfs/dbraw/zinc/67/78/72/1181677872.db2.gz IYRMGRGZVGFNDI-UHFFFAOYSA-N 0 3 322.836 2.475 20 30 DEEDHN COCCC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001441000641 1181820870 /nfs/dbraw/zinc/82/08/70/1181820870.db2.gz WILMACNUPTYERE-UHFFFAOYSA-N 0 3 315.417 2.018 20 30 DEEDHN CS[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441507803 1182031651 /nfs/dbraw/zinc/03/16/51/1182031651.db2.gz WKETXIFXQGBTQS-VXGBXAGGSA-N 0 3 323.437 2.385 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441514514 1182035645 /nfs/dbraw/zinc/03/56/45/1182035645.db2.gz PBKAWWKFOXSYFC-QWHCGFSZSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001441568869 1182063653 /nfs/dbraw/zinc/06/36/53/1182063653.db2.gz RUDCVYRTIKWKPX-DZGCQCFKSA-N 0 3 303.381 2.314 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001441736791 1182141910 /nfs/dbraw/zinc/14/19/10/1182141910.db2.gz VYKISILARCOMSO-XEFCTIPISA-N 0 3 304.221 2.482 20 30 DEEDHN C[C@@H](N[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1)c1ccccc1F ZINC001441798848 1182168757 /nfs/dbraw/zinc/16/87/57/1182168757.db2.gz MCBBYQPFYGIXCK-NWDGAFQWSA-N 0 3 314.364 2.495 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CC1CCOCC1)C1CC1 ZINC001444097722 1183285179 /nfs/dbraw/zinc/28/51/79/1183285179.db2.gz AJMAFIPXQLPXFO-MRXNPFEDSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccncn2)CCCC[C@@H]1C ZINC001444150328 1183300773 /nfs/dbraw/zinc/30/07/73/1183300773.db2.gz BNZDARGVHKFMNE-BLLLJJGKSA-N 0 3 322.840 2.497 20 30 DEEDHN C=C(Cl)CNCc1ccc(CNC(=O)[C@H]2CCCN2C)cc1 ZINC001444213260 1183316541 /nfs/dbraw/zinc/31/65/41/1183316541.db2.gz VQBHPWMKYKLVQG-MRXNPFEDSA-N 0 3 321.852 2.239 20 30 DEEDHN CO[C@H](C)CCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001444597248 1183477645 /nfs/dbraw/zinc/47/76/45/1183477645.db2.gz JCPGOFQRJLYSBV-CHWSQXEVSA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccn2nccc12)C(C)C ZINC001444875820 1183613821 /nfs/dbraw/zinc/61/38/21/1183613821.db2.gz FJRWGELPQHNZFL-AWEZNQCLSA-N 0 3 320.824 2.431 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001445416596 1183865764 /nfs/dbraw/zinc/86/57/64/1183865764.db2.gz HRKBTDWIXLNKMN-RISCZKNCSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccccn1)C1CCCC1 ZINC001446501177 1184377327 /nfs/dbraw/zinc/37/73/27/1184377327.db2.gz SGYWODOBOZORDQ-CJNGLKHVSA-N 0 3 300.406 2.006 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001448010563 1185021160 /nfs/dbraw/zinc/02/11/60/1185021160.db2.gz NDBAIQKHQQPNTI-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN CO[C@H](C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1)C(C)C ZINC001448085677 1185065668 /nfs/dbraw/zinc/06/56/68/1185065668.db2.gz MQEVZNCSUWUTSO-YOEHRIQHSA-N 0 3 317.433 2.166 20 30 DEEDHN CCc1nocc1CNCC1(NC(=O)[C@H](C)C#N)CCCCC1 ZINC001448220113 1185119352 /nfs/dbraw/zinc/11/93/52/1185119352.db2.gz HCTABAZNHFCQNK-CYBMUJFWSA-N 0 3 318.421 2.305 20 30 DEEDHN CCC(=O)N(C)[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001448561340 1185296499 /nfs/dbraw/zinc/29/64/99/1185296499.db2.gz KJLNOSXPAJNQSV-MRXNPFEDSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cn1ncc2ccccc21 ZINC001448882341 1185446491 /nfs/dbraw/zinc/44/64/91/1185446491.db2.gz JQIMXDMCDOCLSK-UHFFFAOYSA-N 0 3 300.406 2.003 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1c(CC)nn(C)c1CC ZINC001448885275 1185446696 /nfs/dbraw/zinc/44/66/96/1185446696.db2.gz WZHYEXLACMSGRP-UHFFFAOYSA-N 0 3 320.481 2.054 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001449006299 1185482572 /nfs/dbraw/zinc/48/25/72/1185482572.db2.gz COOBYSAVZKJVRP-GDBMZVCRSA-N 0 3 313.873 2.192 20 30 DEEDHN COc1cc(CNC(=O)C2(N(C)C)CCCC2)ccc1C#N ZINC001449089057 1185524273 /nfs/dbraw/zinc/52/42/73/1185524273.db2.gz ZGNPVRWSXAXJKU-UHFFFAOYSA-N 0 3 301.390 2.057 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)c1csc(=O)[nH]1)C(C)(C)C ZINC001449286666 1185622475 /nfs/dbraw/zinc/62/24/75/1185622475.db2.gz CWZISBZHOGCVBS-SNVBAGLBSA-N 0 3 317.842 2.335 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(F)F ZINC001331954268 1149799965 /nfs/dbraw/zinc/79/99/65/1149799965.db2.gz PDXBLYWHQGRFOJ-ZFWWWQNUSA-N 0 3 306.356 2.272 20 30 DEEDHN C[C@H]1CN(CCCc2ccc3c(c2)CCO3)C[C@H](C)N1CC#N ZINC001332022154 1149809357 /nfs/dbraw/zinc/80/93/57/1149809357.db2.gz SUPOGRNDLCQMHX-HOTGVXAUSA-N 0 3 313.445 2.472 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)[C@@H](F)C(C)C)CCC[C@H]12 ZINC001332098550 1149819379 /nfs/dbraw/zinc/81/93/79/1149819379.db2.gz DARSBSQBSSAHLW-YQQAZPJKSA-N 0 3 312.429 2.296 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001370625299 1149822932 /nfs/dbraw/zinc/82/29/32/1149822932.db2.gz INDVNFHHPISEPU-DNIRFERGSA-N 0 3 307.344 2.422 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001370654159 1149825493 /nfs/dbraw/zinc/82/54/93/1149825493.db2.gz MPEVVERWYDORHR-GASCZTMLSA-N 0 3 307.825 2.312 20 30 DEEDHN CC(C)OCCN1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001332179029 1149831008 /nfs/dbraw/zinc/83/10/08/1149831008.db2.gz TULPFEZORPFOEU-HZPDHXFCSA-N 0 3 308.466 2.430 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccnc(-n4cccc4)c3)C2)C1 ZINC001072835687 790265948 /nfs/dbraw/zinc/26/59/48/790265948.db2.gz SOYYKLKPPZUUQP-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)C1 ZINC001072893937 790291199 /nfs/dbraw/zinc/29/11/99/790291199.db2.gz PBFVMTSAHBXIQJ-UHFFFAOYSA-N 0 3 302.422 2.041 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccccc3COC)C2)C1 ZINC001072894495 790291457 /nfs/dbraw/zinc/29/14/57/790291457.db2.gz VBOSFDILOSVJOH-UHFFFAOYSA-N 0 3 312.413 2.004 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)n(CC)c3C)C2)C1 ZINC001072902490 790294780 /nfs/dbraw/zinc/29/47/80/790294780.db2.gz NAHCOYKIQMKANI-UHFFFAOYSA-N 0 3 301.434 2.459 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3nc4ccccc4[nH]3)C2)C1 ZINC001072900744 790294790 /nfs/dbraw/zinc/29/47/90/790294790.db2.gz DRBFOFZXSJUNAZ-UHFFFAOYSA-N 0 3 324.428 2.216 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccc(F)c(F)c3)C2)C1 ZINC001072923178 790304869 /nfs/dbraw/zinc/30/48/69/790304869.db2.gz RKOSRCATIZGZBN-UHFFFAOYSA-N 0 3 318.367 2.065 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4ncccc4c3)C2)C1 ZINC001072940045 790312518 /nfs/dbraw/zinc/31/25/18/790312518.db2.gz LIRCJHFICVICQY-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001332677495 1149878930 /nfs/dbraw/zinc/87/89/30/1149878930.db2.gz JYJHUHGJKHOMMZ-YMVOSSCXSA-N 0 3 320.477 2.140 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(CC)c(CC)c1 ZINC001332678160 1149879227 /nfs/dbraw/zinc/87/92/27/1149879227.db2.gz XGVKEDBKYAIJBJ-GOSISDBHSA-N 0 3 318.461 2.362 20 30 DEEDHN N#Cc1nc(O[C@@H]2CN3CCC2CC3)ccc1Br ZINC001234639722 782614546 /nfs/dbraw/zinc/61/45/46/782614546.db2.gz BMRVFGKVESEVMT-GFCCVEGCSA-N 0 3 308.179 2.189 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](O)C1 ZINC001083731225 782744018 /nfs/dbraw/zinc/74/40/18/782744018.db2.gz NWEIQGKJICSORI-SJORKVTESA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106558084 782778918 /nfs/dbraw/zinc/77/89/18/782778918.db2.gz NWZLMGWREWMGTK-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(Cl)cc2C)[C@@H](O)C1 ZINC001083748251 783018940 /nfs/dbraw/zinc/01/89/40/783018940.db2.gz RXAYSUBBNFXKFW-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccncc2C)CC(C)(C)C1 ZINC001089385888 783062286 /nfs/dbraw/zinc/06/22/86/783062286.db2.gz KLVYOIGSBDDAKD-KRWDZBQOSA-N 0 3 313.445 2.173 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1sc(C)nc1C)C2 ZINC001095786744 783098673 /nfs/dbraw/zinc/09/86/73/783098673.db2.gz HIPLCJOAEVEKPG-ILXRZTDVSA-N 0 3 317.458 2.047 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cc(C3CC3)no2)C[C@@H]1C ZINC000947387394 783124354 /nfs/dbraw/zinc/12/43/54/783124354.db2.gz PNZHELJHZRGCBI-ZFWWWQNUSA-N 0 3 315.417 2.087 20 30 DEEDHN C=CCN1CC=C(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC001333458458 1150052594 /nfs/dbraw/zinc/05/25/94/1150052594.db2.gz PVFPJKXMSKQZQE-UHFFFAOYSA-N 0 3 313.445 2.053 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C[C@H]1C ZINC000947478353 783148407 /nfs/dbraw/zinc/14/84/07/783148407.db2.gz CRQBISFKNTXNKE-ZBFHGGJFSA-N 0 3 316.449 2.244 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC000947478350 783148818 /nfs/dbraw/zinc/14/88/18/783148818.db2.gz CRQBISFKNTXNKE-GOEBONIOSA-N 0 3 316.449 2.244 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)C[C@H]1C ZINC000947546758 783169432 /nfs/dbraw/zinc/16/94/32/783169432.db2.gz KNRRRWZKWLTPQS-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2nc(C)oc2C)CC(C)(C)C1 ZINC001089528021 783185535 /nfs/dbraw/zinc/18/55/35/783185535.db2.gz ZGONLZLVTHPDCN-AWEZNQCLSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)CC(C)(C)C1 ZINC001089533873 783191680 /nfs/dbraw/zinc/19/16/80/783191680.db2.gz KOVWTKYNPXUXTN-AWEZNQCLSA-N 0 3 317.433 2.090 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2conc2C2CC2)C[C@@H]1C ZINC000947716364 783211671 /nfs/dbraw/zinc/21/16/71/783211671.db2.gz VJIKYEJQIGVHMH-GXTWGEPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c(C)c2Cl)C[C@@H]1C ZINC000947761287 783226730 /nfs/dbraw/zinc/22/67/30/783226730.db2.gz ITHKRKBMDYYRGC-CMPLNLGQSA-N 0 3 310.829 2.151 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)[C@@H](O)C1 ZINC001090540410 790340641 /nfs/dbraw/zinc/34/06/41/790340641.db2.gz OVZJGQMATLJEMT-HOTGVXAUSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CCN(CC=C(C)C)C[C@@H]2O)CC1 ZINC001090548224 790345429 /nfs/dbraw/zinc/34/54/29/790345429.db2.gz VQTVFACIEQDHTQ-SJORKVTESA-N 0 3 306.450 2.250 20 30 DEEDHN COC(=O)c1ccc(C(=N)Nc2ccn(C(C)C)c(=O)c2)cc1 ZINC001170984612 790379934 /nfs/dbraw/zinc/37/99/34/790379934.db2.gz VOAZURWBEOFIEG-UHFFFAOYSA-N 0 3 313.357 2.253 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c[nH]c(-c4ccccc4)n3)C2)C1 ZINC001073021156 790392167 /nfs/dbraw/zinc/39/21/67/790392167.db2.gz DTRXTDSFALYOJR-UHFFFAOYSA-N 0 3 322.412 2.411 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H](O)C1 ZINC001090620927 790404819 /nfs/dbraw/zinc/40/48/19/790404819.db2.gz OKLGZIHCKUDVEY-NWDGAFQWSA-N 0 3 314.838 2.143 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCC(=O)NCCCC)C1 ZINC001209168510 776675217 /nfs/dbraw/zinc/67/52/17/776675217.db2.gz GBWWOSDTBCLLCG-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3sccc3COC)C2)C1 ZINC001073125783 790472703 /nfs/dbraw/zinc/47/27/03/790472703.db2.gz JNARTUMNMUUITD-UHFFFAOYSA-N 0 3 306.431 2.228 20 30 DEEDHN C#CCN(C(=O)CCCC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC001333527404 1150060081 /nfs/dbraw/zinc/06/00/81/1150060081.db2.gz FLWAWGUDKXZLBS-UHFFFAOYSA-N 0 3 322.449 2.054 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1c1ccccc1 ZINC001211540392 777309204 /nfs/dbraw/zinc/30/92/04/777309204.db2.gz RKXJLKKGZITXDH-RYQLBKOJSA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)c3ccco3)[C@H]2C1 ZINC001083250418 777388964 /nfs/dbraw/zinc/38/89/64/777388964.db2.gz QACXHITUYMWQQE-HLLBOEOZSA-N 0 3 318.417 2.261 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211563370 777419626 /nfs/dbraw/zinc/41/96/26/777419626.db2.gz QZSNZNNDYBTPQH-NPTZWOEGSA-N 0 3 317.820 2.483 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001207362705 777457678 /nfs/dbraw/zinc/45/76/78/777457678.db2.gz IIRCFVXCEWNROY-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(F)(F)F)C[C@H](C)O2 ZINC001098574963 777474025 /nfs/dbraw/zinc/47/40/25/777474025.db2.gz YBPMGOFAIWWWSY-LBPRGKRZSA-N 0 3 320.355 2.207 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)no3)C(C)(C)[C@H]21 ZINC001087271698 777678314 /nfs/dbraw/zinc/67/83/14/777678314.db2.gz WALZUJGQOQXXMY-YUELXQCFSA-N 0 3 303.406 2.388 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3=COCCC3)C(C)(C)[C@@H]21 ZINC001087275984 777693212 /nfs/dbraw/zinc/69/32/12/777693212.db2.gz PRTSGPAUSXQBNZ-BRWVUGGUSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC(F)(F)C3)C(C)(C)[C@@H]21 ZINC001087279840 777705879 /nfs/dbraw/zinc/70/58/79/777705879.db2.gz FYCULCNDBGIBRJ-MGPQQGTHSA-N 0 3 310.388 2.270 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ocnc3C)C(C)(C)[C@@H]21 ZINC001087280899 777709577 /nfs/dbraw/zinc/70/95/77/777709577.db2.gz WZRZSGJGOHEDEM-FVQBIDKESA-N 0 3 315.417 2.225 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccn(C)c1 ZINC001087282460 777716459 /nfs/dbraw/zinc/71/64/59/777716459.db2.gz YXJKVHBMQAPSDA-IXDOHACOSA-N 0 3 313.445 2.267 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cnoc3CC)C(C)(C)[C@@H]21 ZINC001087306396 777759886 /nfs/dbraw/zinc/75/98/86/777759886.db2.gz IMMANRXNOTUKKD-DAXOMENPSA-N 0 3 315.417 2.089 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1C ZINC001104625715 777976024 /nfs/dbraw/zinc/97/60/24/777976024.db2.gz AAYNRVHWUOPBDJ-YUELXQCFSA-N 0 3 316.873 2.484 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@@H](O)C1 ZINC001090839946 790587642 /nfs/dbraw/zinc/58/76/42/790587642.db2.gz UCQODJNWMNMNBY-GJZGRUSLSA-N 0 3 306.406 2.144 20 30 DEEDHN C=C[C@H](C(=O)N1CCO[C@@H]2CN(CCC)C[C@@H]21)c1ccccc1 ZINC001083282747 778063539 /nfs/dbraw/zinc/06/35/39/778063539.db2.gz RLXZRRTZTQBPGT-OKZBNKHCSA-N 0 3 314.429 2.278 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C3CC3)CC1)C[C@@H](C)O2 ZINC001098606663 778156191 /nfs/dbraw/zinc/15/61/91/778156191.db2.gz VAXFOOZSPGYKHV-OAHLLOKOSA-N 0 3 318.461 2.445 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112046566 778161446 /nfs/dbraw/zinc/16/14/46/778161446.db2.gz FJVHAUZLABDGPS-VXGBXAGGSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112120505 778832640 /nfs/dbraw/zinc/83/26/40/778832640.db2.gz XOANABCIGYEXQC-MRVWCRGKSA-N 0 3 316.367 2.425 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001126365112 778838756 /nfs/dbraw/zinc/83/87/56/778838756.db2.gz FZJFYCVGXOJGBK-OAHLLOKOSA-N 0 3 314.788 2.012 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001211842093 779054744 /nfs/dbraw/zinc/05/47/44/779054744.db2.gz NELGNFWUQYCNCQ-HZPDHXFCSA-N 0 3 306.406 2.455 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC001161660706 779139902 /nfs/dbraw/zinc/13/99/02/779139902.db2.gz UMMAAWGRUDLCCL-ZDUSSCGKSA-N 0 3 320.355 2.278 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3Oc4ccccc4[C@@H]3C)C2)C1 ZINC001073489428 790688682 /nfs/dbraw/zinc/68/86/82/790688682.db2.gz VUZHUJUHRHRUEP-MAUKXSAKSA-N 0 3 324.424 2.109 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCSC)CC1 ZINC001105386392 779234411 /nfs/dbraw/zinc/23/44/11/779234411.db2.gz BOEGPTNBGHDYSY-QGZVFWFLSA-N 0 3 320.502 2.466 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(F)F)[C@H]1CC ZINC001087605279 779374477 /nfs/dbraw/zinc/37/44/77/779374477.db2.gz QMWHAAGQDNHFID-NWDGAFQWSA-N 0 3 312.364 2.126 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc(COC)c2)[C@H]1CC ZINC001087606738 779376177 /nfs/dbraw/zinc/37/61/77/779376177.db2.gz PBHJJUVCSNSMAE-DLBZAZTESA-N 0 3 317.433 2.387 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)[C@H]1CC ZINC001087666952 779403501 /nfs/dbraw/zinc/40/35/01/779403501.db2.gz WZUJKKYKKFNFKT-UONOGXRCSA-N 0 3 313.405 2.035 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)nn(C)c2C)[C@H]1CC ZINC001087677372 779406711 /nfs/dbraw/zinc/40/67/11/779406711.db2.gz MHAFMJOCHYCFII-LSDHHAIUSA-N 0 3 304.438 2.196 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1CC ZINC001087782239 779449722 /nfs/dbraw/zinc/44/97/22/779449722.db2.gz FFRQBIZBTPZJEE-LSDHHAIUSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)onc2CC)[C@H]1CC ZINC001087826264 779470022 /nfs/dbraw/zinc/47/00/22/779470022.db2.gz CKRUOACNNCZARO-LSDHHAIUSA-N 0 3 303.406 2.151 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@H]1CC ZINC001087827460 779470710 /nfs/dbraw/zinc/47/07/10/779470710.db2.gz TYXJOKHVPPTRII-JKSUJKDBSA-N 0 3 315.417 2.045 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001073528482 790712661 /nfs/dbraw/zinc/71/26/61/790712661.db2.gz OOWLWOJNTDEQLF-CYBMUJFWSA-N 0 3 311.813 2.065 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](n2cc(CNCCCC)nn2)C1 ZINC001098710205 779535531 /nfs/dbraw/zinc/53/55/31/779535531.db2.gz BARQMFZWLHHQQD-INIZCTEOSA-N 0 3 319.453 2.298 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3c(C)coc3C)C[C@@H]2C1 ZINC001087954496 779569605 /nfs/dbraw/zinc/56/96/05/779569605.db2.gz VVQJWUCXUOEISI-CVEARBPZSA-N 0 3 300.402 2.314 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)cs3)C[C@@H]2C1 ZINC001087958630 779572182 /nfs/dbraw/zinc/57/21/82/779572182.db2.gz XXYVIEXDQQUTPN-CABCVRRESA-N 0 3 302.443 2.474 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@@H]2C1 ZINC001088030970 779647032 /nfs/dbraw/zinc/64/70/32/779647032.db2.gz SCUNBCJTQLUDLB-CVEARBPZSA-N 0 3 321.424 2.205 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3c(F)cc(F)cc3F)C[C@@H]2C1 ZINC001088086929 779691942 /nfs/dbraw/zinc/69/19/42/779691942.db2.gz BDRPFOUGXIQZKD-NEPJUHHUSA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(OC)cc3C)C[C@@H]2C1 ZINC001088088365 779692569 /nfs/dbraw/zinc/69/25/69/779692569.db2.gz QATKMCPFISVHBT-CVEARBPZSA-N 0 3 312.413 2.031 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cccs3)C[C@@H]2C1 ZINC001088125991 779716039 /nfs/dbraw/zinc/71/60/39/779716039.db2.gz JLBIMBAALRJDPA-XHSDSOJGSA-N 0 3 316.470 2.340 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc([C@H](C)CC)no3)C[C@@H]2C1 ZINC001088133108 779719950 /nfs/dbraw/zinc/71/99/50/779719950.db2.gz RTKNFXMOASKPBF-KFWWJZLASA-N 0 3 315.417 2.215 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccnn3[C@H](C)CC)[C@@H]2C1 ZINC001075844859 779750303 /nfs/dbraw/zinc/75/03/03/779750303.db2.gz GJZQLCWZSYZBET-HLLBOEOZSA-N 0 3 314.433 2.024 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3nc(C)c(C)s3)C[C@@H]2C1 ZINC001088205348 779773970 /nfs/dbraw/zinc/77/39/70/779773970.db2.gz QFUUJWAZRVPOJX-CABCVRRESA-N 0 3 317.458 2.177 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)c3ccoc3)CC2)C1 ZINC001088227123 779783554 /nfs/dbraw/zinc/78/35/54/779783554.db2.gz GMLCVTQXTFYZHV-QGZVFWFLSA-N 0 3 318.417 2.409 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001088228931 779785043 /nfs/dbraw/zinc/78/50/43/779785043.db2.gz DMHBTPMCHNYLAE-WMZOPIPTSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCCO2)C1 ZINC001088257832 779842517 /nfs/dbraw/zinc/84/25/17/779842517.db2.gz VOKVAURWTDOPEE-KGLIPLIRSA-N 0 3 300.830 2.279 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCn2cccn2)C1 ZINC001088265166 779871444 /nfs/dbraw/zinc/87/14/44/779871444.db2.gz TZMRCHPPFPIWGP-OAHLLOKOSA-N 0 3 324.856 2.387 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cnsn2)C1 ZINC001088268165 779880904 /nfs/dbraw/zinc/88/09/04/779880904.db2.gz JYGLXLKESLIOAD-LLVKDONJSA-N 0 3 314.842 2.265 20 30 DEEDHN N#Cc1cncc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1 ZINC001144074378 790743619 /nfs/dbraw/zinc/74/36/19/790743619.db2.gz LCXDDKZTNBBMJI-CVEARBPZSA-N 0 3 304.353 2.121 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@H](NCc2ccns2)C1 ZINC001088281194 779902130 /nfs/dbraw/zinc/90/21/30/779902130.db2.gz IZZJPEAIUKBHCA-STQMWFEESA-N 0 3 306.435 2.164 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cn(C)cn2)C1 ZINC001088296142 779919997 /nfs/dbraw/zinc/91/99/97/779919997.db2.gz LNEZHRQKRRSCLY-ZDUSSCGKSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC(C)(C)O)C1 ZINC001088305164 779929462 /nfs/dbraw/zinc/92/94/62/779929462.db2.gz SHCHGIPQKPGTEQ-ZDUSSCGKSA-N 0 3 302.846 2.261 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c(C)[nH]nc3Cl)[C@@H]2C1 ZINC001075867792 779940275 /nfs/dbraw/zinc/94/02/75/779940275.db2.gz IDKRYKJPAUBOQT-NWDGAFQWSA-N 0 3 308.813 2.094 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2[nH]cnc2C)C1 ZINC001088435292 780123518 /nfs/dbraw/zinc/12/35/18/780123518.db2.gz XEIMMOWCQDOTEF-ZDUSSCGKSA-N 0 3 310.829 2.445 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001073662054 790774111 /nfs/dbraw/zinc/77/41/11/790774111.db2.gz GPMZBDPGLSNODE-OAHLLOKOSA-N 0 3 305.422 2.028 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CCCOC)[C@H](OC)C1 ZINC001211937664 780517746 /nfs/dbraw/zinc/51/77/46/780517746.db2.gz RRBMCNXOZBVHBM-HZPDHXFCSA-N 0 3 314.470 2.199 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC001088576551 780528955 /nfs/dbraw/zinc/52/89/55/780528955.db2.gz VTUIFUIRKAZFFW-NEPJUHHUSA-N 0 3 309.435 2.311 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001073707808 790805890 /nfs/dbraw/zinc/80/58/90/790805890.db2.gz BCWRKJPICCIAPB-MHORFTMASA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)[C@H]1C ZINC001088685636 780709857 /nfs/dbraw/zinc/70/98/57/780709857.db2.gz SXIXCNDZMNWTIR-OCCSQVGLSA-N 0 3 318.421 2.050 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccc(O)cn1)CC2 ZINC001144258597 790823589 /nfs/dbraw/zinc/82/35/89/790823589.db2.gz JBXMJJDEAVFWNQ-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc([O-])cn1)CC2 ZINC001144258597 790823602 /nfs/dbraw/zinc/82/36/02/790823602.db2.gz JBXMJJDEAVFWNQ-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc([O-])cn1)CC2 ZINC001144258597 790823615 /nfs/dbraw/zinc/82/36/15/790823615.db2.gz JBXMJJDEAVFWNQ-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001091020271 790825636 /nfs/dbraw/zinc/82/56/36/790825636.db2.gz OLMPRZXKCVXIOS-UDNWOFFPSA-N 0 3 323.181 2.035 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2snnc2CC)[C@H]1C ZINC001088717218 780905988 /nfs/dbraw/zinc/90/59/88/780905988.db2.gz LGMLFXQHMBNKLD-YPMHNXCESA-N 0 3 308.451 2.259 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nncc3ccccc32)[C@H]1C ZINC001088736802 780922886 /nfs/dbraw/zinc/92/28/86/780922886.db2.gz XJIMNGLHOJRVBY-CJNGLKHVSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(Cl)cn3C)[C@@H]2C1 ZINC001076015790 781079358 /nfs/dbraw/zinc/07/93/58/781079358.db2.gz AOJBUZWBEVGGSE-SWLSCSKDSA-N 0 3 307.825 2.401 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCO4)[C@@H]2C1 ZINC001076278524 781191042 /nfs/dbraw/zinc/19/10/42/781191042.db2.gz LUNCJKCHDMISIQ-DLBZAZTESA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)o3)[C@@H]2C1 ZINC001076336179 781219140 /nfs/dbraw/zinc/21/91/40/781219140.db2.gz NJWXGRRGQLPRRD-OWCLPIDISA-N 0 3 300.402 2.248 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3csc(C(C)C)n3)[C@@H]2C1 ZINC001076365509 781235072 /nfs/dbraw/zinc/23/50/72/781235072.db2.gz AUCPAKPCAMJKKP-DZGCQCFKSA-N 0 3 317.458 2.436 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc(OC)c3F)[C@@H]2C1 ZINC001076387619 781242219 /nfs/dbraw/zinc/24/22/19/781242219.db2.gz QCGWHUPUBUMORV-DZGCQCFKSA-N 0 3 316.376 2.004 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3OC)[C@@H]2C1 ZINC001076480352 781276539 /nfs/dbraw/zinc/27/65/39/781276539.db2.gz QPNFUKNLJARKFE-DOTOQJQBSA-N 0 3 312.413 2.173 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[C@@H](F)C2)cc1F ZINC001126960882 781493626 /nfs/dbraw/zinc/49/36/26/781493626.db2.gz RRHUPDWPMABMPM-DZGCQCFKSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001077186383 781511710 /nfs/dbraw/zinc/51/17/10/781511710.db2.gz VSRXJLKXVQWTOA-CHWSQXEVSA-N 0 3 314.838 2.143 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(F)ccc2CC)[C@@H](O)C1 ZINC001083602636 781607471 /nfs/dbraw/zinc/60/74/71/781607471.db2.gz FNNRRSZLGNAPSP-SJORKVTESA-N 0 3 320.408 2.129 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)C[C@H]1C ZINC000947797047 783233873 /nfs/dbraw/zinc/23/38/73/783233873.db2.gz WUSSHTAIPLUHKZ-DYVFJYSZSA-N 0 3 300.402 2.486 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000947809775 783235765 /nfs/dbraw/zinc/23/57/65/783235765.db2.gz FVULKKAXVOWLNB-KBPBESRZSA-N 0 3 318.465 2.486 20 30 DEEDHN CO[C@@H]1CN(CCC2=CCCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251215 783243328 /nfs/dbraw/zinc/24/33/28/783243328.db2.gz SIDCDZJISUQZQA-QZTJIDSGSA-N 0 3 316.445 2.106 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C2CC2)C[C@H]1C ZINC000947895298 783261103 /nfs/dbraw/zinc/26/11/03/783261103.db2.gz KISRBODKAGVXLR-TZMCWYRMSA-N 0 3 301.390 2.158 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001091130713 790926846 /nfs/dbraw/zinc/92/68/46/790926846.db2.gz SHDUKNYTPKHGRI-PXCJXSSVSA-N 0 3 320.820 2.227 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1=COCCO1 ZINC001089604578 783266041 /nfs/dbraw/zinc/26/60/41/783266041.db2.gz FILKVKWRUJFDDT-CQSZACIVSA-N 0 3 308.422 2.058 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc(COC)nc2C)C[C@H]1C ZINC000947974853 783281758 /nfs/dbraw/zinc/28/17/58/783281758.db2.gz HLVWYNFGCAPWTF-DGCLKSJQSA-N 0 3 323.462 2.367 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001089633090 783300576 /nfs/dbraw/zinc/30/05/76/783300576.db2.gz DJZAKSWYKFGVJI-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001091148924 790934661 /nfs/dbraw/zinc/93/46/61/790934661.db2.gz ZSDOFDQRLVSDMS-UHFFFAOYSA-N 0 3 323.824 2.200 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001089701080 783366198 /nfs/dbraw/zinc/36/61/98/783366198.db2.gz IVSOZSURZDQNPG-JJXSEGSLSA-N 0 3 306.450 2.347 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CSC)C1 ZINC001089766341 783418158 /nfs/dbraw/zinc/41/81/58/783418158.db2.gz MSHGJSNEZRAERM-XUXIUFHCSA-N 0 3 314.882 2.271 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cocn1 ZINC001089776520 783422402 /nfs/dbraw/zinc/42/24/02/783422402.db2.gz FSFXFHMSTHZWHB-JLNYLFASSA-N 0 3 321.808 2.210 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCCOCC2)CC1 ZINC000948329469 783428864 /nfs/dbraw/zinc/42/88/64/783428864.db2.gz FGORNJSODLLSTC-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cnc[n-]c2=O)CC1 ZINC000948473606 783477710 /nfs/dbraw/zinc/47/77/10/783477710.db2.gz JDOKGWZSLNBWBQ-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cnc[n-]c2=O)CC1 ZINC000948473606 783477714 /nfs/dbraw/zinc/47/77/14/783477714.db2.gz JDOKGWZSLNBWBQ-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000948542094 783494568 /nfs/dbraw/zinc/49/45/68/783494568.db2.gz MLPQRNAUEXXKRZ-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nc(C)sc2C)CC1 ZINC000948543442 783495256 /nfs/dbraw/zinc/49/52/56/783495256.db2.gz ZQYOMTSBPGTPKG-AWEZNQCLSA-N 0 3 305.447 2.320 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(COC)cs2)CC1 ZINC000948586323 783511812 /nfs/dbraw/zinc/51/18/12/783511812.db2.gz GLUCUBPIXAYULP-OAHLLOKOSA-N 0 3 320.458 2.454 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001073905495 790950359 /nfs/dbraw/zinc/95/03/59/790950359.db2.gz HFQGKQKSGJEBBN-QGZVFWFLSA-N 0 3 318.392 2.000 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)onc2C2CC2)CC1 ZINC000948621066 783534579 /nfs/dbraw/zinc/53/45/79/783534579.db2.gz LKSNRVAUKFRRCQ-HNNXBMFYSA-N 0 3 315.417 2.420 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc3cn[nH]c32)CC1 ZINC000948665534 783557025 /nfs/dbraw/zinc/55/70/25/783557025.db2.gz LPKRPBUMPYWLBZ-OAHLLOKOSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001085259204 783610673 /nfs/dbraw/zinc/61/06/73/783610673.db2.gz XXAMFFKGFJGQBS-VXGBXAGGSA-N 0 3 320.824 2.204 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1coc(OC)n1 ZINC001085286867 783620463 /nfs/dbraw/zinc/62/04/63/783620463.db2.gz FIXHEMREWHEUFS-GHMZBOCLSA-N 0 3 313.785 2.066 20 30 DEEDHN CC(C)CC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000966412016 783655327 /nfs/dbraw/zinc/65/53/27/783655327.db2.gz DKVHBAVYNBIOGG-OAHLLOKOSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001085412271 783673823 /nfs/dbraw/zinc/67/38/23/783673823.db2.gz MJQZMAIUYSNTET-CHWSQXEVSA-N 0 3 309.797 2.170 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(CCO)C[C@H](F)CC)CC1 ZINC001098382239 783709956 /nfs/dbraw/zinc/70/99/56/783709956.db2.gz IUCIXYJEIZEKRQ-OAHLLOKOSA-N 0 3 314.445 2.376 20 30 DEEDHN CC(C)=CC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000966622034 783712069 /nfs/dbraw/zinc/71/20/69/783712069.db2.gz KDUNJEYJIOEUSC-OAHLLOKOSA-N 0 3 301.365 2.354 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966850620 783781870 /nfs/dbraw/zinc/78/18/70/783781870.db2.gz WGQPXMWLFGHANC-WBVHZDCISA-N 0 3 313.445 2.288 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OCC)nc1 ZINC001085625892 783909202 /nfs/dbraw/zinc/90/92/02/783909202.db2.gz BNAAVVYVPHXXKK-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001085634225 783911034 /nfs/dbraw/zinc/91/10/34/783911034.db2.gz LPSOKFFWBNCIAP-AWEZNQCLSA-N 0 3 319.453 2.146 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2ccccc2n1 ZINC001085640099 783918297 /nfs/dbraw/zinc/91/82/97/783918297.db2.gz BSKHDDDJGPNXKF-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001085666168 783946708 /nfs/dbraw/zinc/94/67/08/783946708.db2.gz ZTTRZEJNAWVYMH-HNNXBMFYSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC000967401724 783979708 /nfs/dbraw/zinc/97/97/08/783979708.db2.gz GMKNRTKPBCOMGF-OLZOCXBDSA-N 0 3 307.394 2.090 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1occc1CN(C)C ZINC001085788026 784080804 /nfs/dbraw/zinc/08/08/04/784080804.db2.gz CMDOSULHDWUGMX-HNNXBMFYSA-N 0 3 305.422 2.064 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CCCF)CC[C@H]2C)cc1 ZINC000967677757 784090654 /nfs/dbraw/zinc/09/06/54/784090654.db2.gz MVJWLESCJFGVRT-PBHICJAKSA-N 0 3 302.393 2.468 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1OCC2 ZINC001085836641 784118811 /nfs/dbraw/zinc/11/88/11/784118811.db2.gz ORBOPTXDTNEEKR-OAHLLOKOSA-N 0 3 300.402 2.344 20 30 DEEDHN C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2CCC(C)C)nn1 ZINC001085863594 784154638 /nfs/dbraw/zinc/15/46/38/784154638.db2.gz FGUXICONMYMHSK-HNNXBMFYSA-N 0 3 319.453 2.047 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001085912084 784206724 /nfs/dbraw/zinc/20/67/24/784206724.db2.gz WCQBVJPVDHXAHG-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC000968134887 784232946 /nfs/dbraw/zinc/23/29/46/784232946.db2.gz ZURBCTFTBJLYKQ-KBXCAEBGSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001085981589 784281197 /nfs/dbraw/zinc/28/11/97/784281197.db2.gz PKVCLFTXOORLPP-HOCLYGCPSA-N 0 3 318.392 2.238 20 30 DEEDHN C[C@H](C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1)C1CC1 ZINC000968329545 784292577 /nfs/dbraw/zinc/29/25/77/784292577.db2.gz JVEGLGVRIRIXSG-BLLLJJGKSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccccc2C)[C@@H](O)C1 ZINC001100018403 784296137 /nfs/dbraw/zinc/29/61/37/784296137.db2.gz RSKIFPOEXRVZDT-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340622 784303663 /nfs/dbraw/zinc/30/36/63/784303663.db2.gz RXIFCFKPSXSZCI-XJKSGUPXSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968364894 784326244 /nfs/dbraw/zinc/32/62/44/784326244.db2.gz LBRBRTKPHZWPCN-RHSMWYFYSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC000968382474 784345127 /nfs/dbraw/zinc/34/51/27/784345127.db2.gz QIWRIUFNIHYXFW-HOCLYGCPSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC000968467752 784403831 /nfs/dbraw/zinc/40/38/31/784403831.db2.gz HKGIDZZXFRRPCO-YOEHRIQHSA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc3nccn3c2)C1 ZINC000968529383 784448007 /nfs/dbraw/zinc/44/80/07/784448007.db2.gz PVSULVUDHYAMHT-GDBMZVCRSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000968543576 784454938 /nfs/dbraw/zinc/45/49/38/784454938.db2.gz CPFXEZIHXPKIPX-KGLIPLIRSA-N 0 3 304.438 2.090 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC000968566418 784468683 /nfs/dbraw/zinc/46/86/83/784468683.db2.gz SECCWTCZPCRNBA-SWLSCSKDSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001086235894 784510045 /nfs/dbraw/zinc/51/00/45/784510045.db2.gz RNFIWIBCYGXFTG-IGQOVBAYSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC001086250132 784522449 /nfs/dbraw/zinc/52/24/49/784522449.db2.gz DDZZAJAKRSWAQA-XBXGTLAGSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2coc(CCC)n2)C1 ZINC001086253270 784524686 /nfs/dbraw/zinc/52/46/86/784524686.db2.gz YRZICWKLBXHMLC-TXEJJXNPSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC001086265794 784530656 /nfs/dbraw/zinc/53/06/56/784530656.db2.gz XIGNIXOCJASNMT-TXEJJXNPSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968687755 784541101 /nfs/dbraw/zinc/54/11/01/784541101.db2.gz GIHZYKAQVJBXBR-RJGWXTLFSA-N 0 3 300.446 2.128 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001086287141 784544725 /nfs/dbraw/zinc/54/47/25/784544725.db2.gz NEDPHFGUEJKMDO-HZSPNIEDSA-N 0 3 312.841 2.040 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC000968833882 784613442 /nfs/dbraw/zinc/61/34/42/784613442.db2.gz MFNSHZWDFIHZIQ-MRXNPFEDSA-N 0 3 301.434 2.331 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)CCC)[C@H](C)C1 ZINC001074092221 791048792 /nfs/dbraw/zinc/04/87/92/791048792.db2.gz AKTMDUHNYUBDTI-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001086413539 784692079 /nfs/dbraw/zinc/69/20/79/784692079.db2.gz LPONWMIWUOKIRQ-HAQNSBGRSA-N 0 3 310.829 2.213 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1nnn(CC)c1CC ZINC000969019660 784692760 /nfs/dbraw/zinc/69/27/60/784692760.db2.gz FMJDXZBRJVZKDU-CQSZACIVSA-N 0 3 319.453 2.021 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC000969052959 784705577 /nfs/dbraw/zinc/70/55/77/784705577.db2.gz BKNULMNZWJTPRF-MRXNPFEDSA-N 0 3 304.438 2.454 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1CC#N ZINC000969059146 784709087 /nfs/dbraw/zinc/70/90/87/784709087.db2.gz HCFFTMKIMXPPPF-DLBZAZTESA-N 0 3 320.481 2.134 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ocnc2C(F)F)C1 ZINC001086479299 784768498 /nfs/dbraw/zinc/76/84/98/784768498.db2.gz ZLYHFWBLIQKMCU-KYZUINATSA-N 0 3 319.739 2.463 20 30 DEEDHN N#Cc1nc(Cl)cnc1N1CCNC[C@H]1c1cccs1 ZINC001156089286 784818801 /nfs/dbraw/zinc/81/88/01/784818801.db2.gz IXYVVIMZJHIEIW-JTQLQIEISA-N 0 3 305.794 2.214 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001007338821 784892534 /nfs/dbraw/zinc/89/25/34/784892534.db2.gz UJQOBNXTRYCQGO-AWEZNQCLSA-N 0 3 304.438 2.379 20 30 DEEDHN Cc1cc(C(=O)NCCCNCc2ccccc2C#N)ccn1 ZINC001168884506 784958021 /nfs/dbraw/zinc/95/80/21/784958021.db2.gz YXSPBBNBUBGUTO-UHFFFAOYSA-N 0 3 308.385 2.171 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)Cc2ccco2)c1 ZINC001168909355 784963846 /nfs/dbraw/zinc/96/38/46/784963846.db2.gz OWECCJZZGXTMKT-UHFFFAOYSA-N 0 3 315.348 2.129 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn(C)c2CCC)C1 ZINC001007765156 784996861 /nfs/dbraw/zinc/99/68/61/784996861.db2.gz FUYAAYNYKMHKFY-CQSZACIVSA-N 0 3 304.438 2.143 20 30 DEEDHN CC[C@H](C)[C@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)C(N)=O ZINC001169157012 785074511 /nfs/dbraw/zinc/07/45/11/785074511.db2.gz KHILANPXNCSYTH-ZCGJJJPHSA-N 0 3 301.394 2.092 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(CCC)c2C)C1 ZINC001091298146 791081189 /nfs/dbraw/zinc/08/11/89/791081189.db2.gz JMIMOUWCYLJUBX-UHFFFAOYSA-N 0 3 324.856 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001008124073 785114568 /nfs/dbraw/zinc/11/45/68/785114568.db2.gz RZGXVGWEBAPWRI-CYBMUJFWSA-N 0 3 301.415 2.447 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008164726 785124700 /nfs/dbraw/zinc/12/47/00/785124700.db2.gz SRDJBAVYWRUDII-AWEZNQCLSA-N 0 3 313.873 2.194 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)Cc1ccccc1)C2 ZINC001111499724 785125044 /nfs/dbraw/zinc/12/50/44/785125044.db2.gz VXVRJBZHSQCZBR-KURKYZTESA-N 0 3 313.445 2.026 20 30 DEEDHN C=CCOc1ccccc1CN[C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001333723369 1150083289 /nfs/dbraw/zinc/08/32/89/1150083289.db2.gz GMRITQROJFHXGV-ZFWWWQNUSA-N 0 3 309.431 2.164 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009057520 785373195 /nfs/dbraw/zinc/37/31/95/785373195.db2.gz JGFNBKKEHOWUGH-INIZCTEOSA-N 0 3 307.397 2.452 20 30 DEEDHN Cc1cnc(CNCCCC[C@H](C)NC(=O)[C@@H](C)C#N)s1 ZINC001169849439 785387503 /nfs/dbraw/zinc/38/75/03/785387503.db2.gz WPVWBTJCGCLNPI-RYUDHWBXSA-N 0 3 308.451 2.376 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001109121584 785714663 /nfs/dbraw/zinc/71/46/63/785714663.db2.gz DRCIRNLKKCXTER-IKGGRYGDSA-N 0 3 324.465 2.116 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCN([C@H]3CCc4ccccc43)C2)c1 ZINC001010480989 785824223 /nfs/dbraw/zinc/82/42/23/785824223.db2.gz URISDKAIWLEUDU-YJBOKZPZSA-N 0 3 320.396 2.378 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C2 ZINC001109611395 785953993 /nfs/dbraw/zinc/95/39/93/785953993.db2.gz HRYIPFVAOJIIEH-NDBYEHHHSA-N 0 3 320.355 2.109 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCCCO1)C2 ZINC001109778121 786052047 /nfs/dbraw/zinc/05/20/47/786052047.db2.gz ATUUTXOLMSRMLS-QZWWFDLISA-N 0 3 304.434 2.081 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCOCC1)C2 ZINC001109901152 786097393 /nfs/dbraw/zinc/09/73/93/786097393.db2.gz OWOHRXKAHZJJIH-PMPSAXMXSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2coc(CCC)n2)C1 ZINC001086533140 786117712 /nfs/dbraw/zinc/11/77/12/786117712.db2.gz YRZICWKLBXHMLC-HAQNSBGRSA-N 0 3 311.813 2.478 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC001113071225 786391508 /nfs/dbraw/zinc/39/15/08/786391508.db2.gz LXAQFFOJKQOGSG-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001113335323 786531420 /nfs/dbraw/zinc/53/14/20/786531420.db2.gz LJGURHNEPRLNAR-CQSZACIVSA-N 0 3 303.406 2.208 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001014424015 786580023 /nfs/dbraw/zinc/58/00/23/786580023.db2.gz HXNFSCXEDBXRKA-ZBFHGGJFSA-N 0 3 318.392 2.143 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001014477354 786597564 /nfs/dbraw/zinc/59/75/64/786597564.db2.gz ITKYKRLUVMHYEF-KURKYZTESA-N 0 3 312.413 2.121 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc2[nH]c(C)nc21 ZINC001170204451 786856783 /nfs/dbraw/zinc/85/67/83/786856783.db2.gz PXWGVCDYDPFYOQ-UHFFFAOYSA-N 0 3 306.797 2.333 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C(C)=C1CCC1 ZINC001157711170 786883361 /nfs/dbraw/zinc/88/33/61/786883361.db2.gz PHAREPMZQIVPCG-UHFFFAOYSA-N 0 3 301.228 2.491 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001015150486 786916003 /nfs/dbraw/zinc/91/60/03/786916003.db2.gz UDSJZKUTDXGOQT-HNNXBMFYSA-N 0 3 314.433 2.062 20 30 DEEDHN CCOC(=O)[C@H](C#N)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001170370137 786924866 /nfs/dbraw/zinc/92/48/66/786924866.db2.gz BOPGGMWOFWBCCF-HNNXBMFYSA-N 0 3 305.353 2.289 20 30 DEEDHN CCc1nc(C)c(CNCCCNC(=O)C#CC(C)(C)C)o1 ZINC001157727200 786933198 /nfs/dbraw/zinc/93/31/98/786933198.db2.gz IFZHPJKIXGDBIA-UHFFFAOYSA-N 0 3 305.422 2.191 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2onc3c2CCCC3)C1 ZINC001015265382 786963446 /nfs/dbraw/zinc/96/34/46/786963446.db2.gz TXHKVICLNQQHEU-ZDUSSCGKSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001015297985 786988834 /nfs/dbraw/zinc/98/88/34/786988834.db2.gz BFBNVCSZXDTUIF-JTQLQIEISA-N 0 3 316.327 2.117 20 30 DEEDHN CC#CC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001115414202 787014863 /nfs/dbraw/zinc/01/48/63/787014863.db2.gz MZYSSHSACMRKGA-UHFFFAOYSA-N 0 3 300.402 2.438 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001015374069 787021935 /nfs/dbraw/zinc/02/19/35/787021935.db2.gz XXIDSYUEQYFKOT-CYBMUJFWSA-N 0 3 300.362 2.050 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001015518309 787089723 /nfs/dbraw/zinc/08/97/23/787089723.db2.gz IABYEYKTMIUCDK-KGLIPLIRSA-N 0 3 319.405 2.296 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(-c3cccnc3)on2)C1 ZINC001015634446 787151077 /nfs/dbraw/zinc/15/10/77/787151077.db2.gz OVQAKNNMMVOZTE-CQSZACIVSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001015721444 787198399 /nfs/dbraw/zinc/19/83/99/787198399.db2.gz JJZOAWJUTAGIFO-KURKYZTESA-N 0 3 314.429 2.011 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)COCC2CCCC2)s1 ZINC001129705180 787239877 /nfs/dbraw/zinc/23/98/77/787239877.db2.gz VTXVJLCLJVSSBG-UHFFFAOYSA-N 0 3 321.446 2.032 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@@H](C)CC)C1 ZINC001130381512 787370919 /nfs/dbraw/zinc/37/09/19/787370919.db2.gz ZNYHJKFKNBHQRQ-UONOGXRCSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC2(C)CC2)C1 ZINC001130405349 787377585 /nfs/dbraw/zinc/37/75/85/787377585.db2.gz DHRQILYIHFPSPF-ZDUSSCGKSA-N 0 3 302.422 2.191 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnn(CC)c2)C1 ZINC001086660642 787566866 /nfs/dbraw/zinc/56/68/66/787566866.db2.gz AZSVRLCUEIGAHG-GXTWGEPZSA-N 0 3 310.829 2.144 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C(C)C)nc1C)C2 ZINC001096328536 787615720 /nfs/dbraw/zinc/61/57/20/787615720.db2.gz CWHVOZIFBNVRHO-PVAVHDDUSA-N 0 3 314.433 2.131 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)cc2)c(C)n1 ZINC001131560607 787650437 /nfs/dbraw/zinc/65/04/37/787650437.db2.gz VGIVVCQLYCSXJC-UHFFFAOYSA-N 0 3 322.412 2.398 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC001096414290 787656485 /nfs/dbraw/zinc/65/64/85/787656485.db2.gz FSTPXFFCNUBLON-MNEFBYGVSA-N 0 3 321.424 2.455 20 30 DEEDHN C[C@H](Nc1ccc(C#C[Si](C)(C)C)nc1)[C@@H]1CNCCO1 ZINC001170574245 787662756 /nfs/dbraw/zinc/66/27/56/787662756.db2.gz MMTVLPQCPKPHDO-BBRMVZONSA-N 0 3 303.482 2.099 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)C=C)C[C@H](C)O2 ZINC001131661089 787672808 /nfs/dbraw/zinc/67/28/08/787672808.db2.gz JLEQAONUSWTKAH-QFBILLFUSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(=C)C)C2)C1 ZINC001131658468 787680670 /nfs/dbraw/zinc/68/06/70/787680670.db2.gz UGMXZJOMEPXXAD-SJLPKXTDSA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2cccs2)CC[C@H]1C ZINC001131761710 787731235 /nfs/dbraw/zinc/73/12/35/787731235.db2.gz SIAAAXONYZECNQ-HUUCEWRRSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccc(C)nc2)CC[C@@H]1C ZINC001131804334 787746549 /nfs/dbraw/zinc/74/65/49/787746549.db2.gz YAVPNGXZVVZLND-RDJZCZTQSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccc(F)nc2)CC[C@@H]1C ZINC001131907408 787795182 /nfs/dbraw/zinc/79/51/82/787795182.db2.gz AWZVOJAIGWVAMX-DZGCQCFKSA-N 0 3 321.396 2.006 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccc(F)nc2)CC[C@H]1C ZINC001131907409 787795632 /nfs/dbraw/zinc/79/56/32/787795632.db2.gz AWZVOJAIGWVAMX-HIFRSBDPSA-N 0 3 321.396 2.006 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCOCC(F)(F)F)CC[C@H]1C ZINC001132150679 787945113 /nfs/dbraw/zinc/94/51/13/787945113.db2.gz VBGQWECVVDQVDM-VXGBXAGGSA-N 0 3 308.344 2.111 20 30 DEEDHN CC[C@@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1)N(C)C ZINC001097046745 787956287 /nfs/dbraw/zinc/95/62/87/787956287.db2.gz JYZVQSIAALKPBV-MKBNYLNASA-N 0 3 318.396 2.097 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001132215698 787975608 /nfs/dbraw/zinc/97/56/08/787975608.db2.gz GBJCTWIAASBDRQ-UHFFFAOYSA-N 0 3 323.352 2.096 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(C)CCC)CC[C@H]1C ZINC001132436521 788074203 /nfs/dbraw/zinc/07/42/03/788074203.db2.gz LPSAYORMVMAJKR-KGLIPLIRSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(C)CCC)CC[C@@H]1C ZINC001132436522 788074838 /nfs/dbraw/zinc/07/48/38/788074838.db2.gz LPSAYORMVMAJKR-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CC(C)=C(C)C ZINC001132466971 788089152 /nfs/dbraw/zinc/08/91/52/788089152.db2.gz RKSMNYSYHLUWNZ-INIZCTEOSA-N 0 3 323.481 2.252 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001086683997 788095391 /nfs/dbraw/zinc/09/53/91/788095391.db2.gz SMRVIDNXEYIYQB-FGZQJIAISA-N 0 3 314.857 2.165 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132574146 788134808 /nfs/dbraw/zinc/13/48/08/788134808.db2.gz WIFDNBHARFJCBX-KGLIPLIRSA-N 0 3 306.454 2.302 20 30 DEEDHN CCC[C@H](OCC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132628207 788150662 /nfs/dbraw/zinc/15/06/62/788150662.db2.gz TZAMNAWVQNJUGJ-INIZCTEOSA-N 0 3 321.396 2.108 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C2 ZINC001097607007 788151539 /nfs/dbraw/zinc/15/15/39/788151539.db2.gz YSGDGEGPFRBJMS-KFWWJZLASA-N 0 3 315.417 2.315 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001132663045 788158994 /nfs/dbraw/zinc/15/89/94/788158994.db2.gz OTZPUCUWLVPRBX-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001132662680 788159068 /nfs/dbraw/zinc/15/90/68/788159068.db2.gz ICLWBDWYCFYOBR-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNC[C@H](O)c1ccccc1F ZINC001132671396 788161664 /nfs/dbraw/zinc/16/16/64/788161664.db2.gz QMNOTPWLXNGVRV-BBRMVZONSA-N 0 3 308.397 2.167 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001132671532 788161719 /nfs/dbraw/zinc/16/17/19/788161719.db2.gz VFZRWYCAHFHQHI-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN CCn1ccc(C(=O)NCCNCc2ccc(C#N)cc2)c1C ZINC001132729843 788177041 /nfs/dbraw/zinc/17/70/41/788177041.db2.gz BQPHKHKDUUVCTA-UHFFFAOYSA-N 0 3 310.401 2.208 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](C)[C@H](CNCc2cscn2)C1 ZINC001132813988 788200310 /nfs/dbraw/zinc/20/03/10/788200310.db2.gz SYYOSMSUGANUEB-LSDHHAIUSA-N 0 3 319.474 2.377 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1C)C2 ZINC001097763109 788212100 /nfs/dbraw/zinc/21/21/00/788212100.db2.gz IFDLSEVNJMOPJN-OLMNPRSZSA-N 0 3 312.413 2.362 20 30 DEEDHN Cc1ncc(CNCCCC[C@H](C)NC(=O)C#CC(C)C)o1 ZINC001170646976 788266651 /nfs/dbraw/zinc/26/66/51/788266651.db2.gz AWVNSJAIFHEYPE-AWEZNQCLSA-N 0 3 305.422 2.407 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1cccc(C#N)c1)C(F)(F)F ZINC001133225234 788322095 /nfs/dbraw/zinc/32/20/95/788322095.db2.gz ULQBKQXFGPAFPI-LLVKDONJSA-N 0 3 313.323 2.353 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001133383745 788395647 /nfs/dbraw/zinc/39/56/47/788395647.db2.gz XLSGPIUTTSNGFL-QAPCUYQASA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)c1cocn1 ZINC001133388167 788399046 /nfs/dbraw/zinc/39/90/46/788399046.db2.gz FVOFRGVOJFMTKW-UHFFFAOYSA-N 0 3 317.776 2.193 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2occc2Cl)cc1F ZINC001133419738 788409403 /nfs/dbraw/zinc/40/94/03/788409403.db2.gz WNIUAEAHLQRBID-UHFFFAOYSA-N 0 3 321.739 2.463 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNCc2ccccc2N(C)C)C1 ZINC001133570169 788492020 /nfs/dbraw/zinc/49/20/20/788492020.db2.gz MPERCMCUVUCUGS-UHFFFAOYSA-N 0 3 301.434 2.315 20 30 DEEDHN C=CCCCC(=O)N(C)CCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001068049784 788524107 /nfs/dbraw/zinc/52/41/07/788524107.db2.gz CUQZIRATRDNLBF-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133622345 788529794 /nfs/dbraw/zinc/52/97/94/788529794.db2.gz GBXWJASOCBJUTM-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)s1)c1ccco1 ZINC001133728155 788581008 /nfs/dbraw/zinc/58/10/08/788581008.db2.gz PWMGTPCYPIOTHX-LLVKDONJSA-N 0 3 303.387 2.222 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC001133908991 788668071 /nfs/dbraw/zinc/66/80/71/788668071.db2.gz FRILONGWUCTKIN-OLZOCXBDSA-N 0 3 321.421 2.128 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CCOCC ZINC001133900372 788670868 /nfs/dbraw/zinc/67/08/68/788670868.db2.gz IALOPJLFYRYDHN-RYUDHWBXSA-N 0 3 321.259 2.195 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001134119272 788771279 /nfs/dbraw/zinc/77/12/79/788771279.db2.gz OITULYLVXUDFIS-HZPDHXFCSA-N 0 3 318.465 2.470 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001134206621 788800120 /nfs/dbraw/zinc/80/01/20/788800120.db2.gz XDUYCZCYQTYXKJ-CABCVRRESA-N 0 3 316.449 2.006 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1csnc1OC ZINC001134206655 788801524 /nfs/dbraw/zinc/80/15/24/788801524.db2.gz XUOQZOXUKYPRSS-QWHCGFSZSA-N 0 3 323.462 2.328 20 30 DEEDHN Cc1nc(C)c(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001134322001 788870221 /nfs/dbraw/zinc/87/02/21/788870221.db2.gz ODEMBNBGTYDWPT-NWDGAFQWSA-N 0 3 303.406 2.078 20 30 DEEDHN Cc1nccnc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134329136 788874101 /nfs/dbraw/zinc/87/41/01/788874101.db2.gz JVNNVRQSKXXLPT-KGLIPLIRSA-N 0 3 316.449 2.207 20 30 DEEDHN CCc1nocc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC1CC1 ZINC001134330283 788877053 /nfs/dbraw/zinc/87/70/53/788877053.db2.gz XVXWLAMLNDBGBK-CHWSQXEVSA-N 0 3 303.406 2.023 20 30 DEEDHN C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134407174 788907147 /nfs/dbraw/zinc/90/71/47/788907147.db2.gz AABYYLDZSLGIGB-OLZOCXBDSA-N 0 3 315.421 2.411 20 30 DEEDHN C#CCC1(C(=O)N[C@H](C)C[C@@H](C)NCc2cnns2)CCC1 ZINC001134592416 788992311 /nfs/dbraw/zinc/99/23/11/788992311.db2.gz DMKPCHYSUYLMJH-CHWSQXEVSA-N 0 3 320.462 2.105 20 30 DEEDHN C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001134726747 789050588 /nfs/dbraw/zinc/05/05/88/789050588.db2.gz SYIRKMZRGWYLIQ-ZIAGYGMSSA-N 0 3 320.437 2.415 20 30 DEEDHN C[C@@H]1CC[C@@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001134738003 789056017 /nfs/dbraw/zinc/05/60/17/789056017.db2.gz DFSHUQVSRCJDST-TZMCWYRMSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccnc1C ZINC001135236501 789254469 /nfs/dbraw/zinc/25/44/69/789254469.db2.gz TYRNFJFCTXZMBH-STQMWFEESA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(OC)no1 ZINC001135358080 789298871 /nfs/dbraw/zinc/29/88/71/789298871.db2.gz MHSDLYAZVNGTTQ-QWHCGFSZSA-N 0 3 309.410 2.412 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2CCCC2)C1 ZINC001070392616 789304343 /nfs/dbraw/zinc/30/43/43/789304343.db2.gz UJJKVLMKXDHIRW-AWEZNQCLSA-N 0 3 302.422 2.191 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1occc1C)C[C@@H](C)O2 ZINC001071136327 789550120 /nfs/dbraw/zinc/55/01/20/789550120.db2.gz HZNMCUNYPKSCQM-QAPCUYQASA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1c[nH]cc1C)C[C@@H](C)O2 ZINC001071240223 789608766 /nfs/dbraw/zinc/60/87/66/789608766.db2.gz BKXXXWXXRLZHOC-QAPCUYQASA-N 0 3 317.433 2.205 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@H]2C[C@H]2C(C)C)cc1C#N ZINC001136061441 789614428 /nfs/dbraw/zinc/61/44/28/789614428.db2.gz MNYXNASSACJGLO-JKSUJKDBSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001086835111 789692852 /nfs/dbraw/zinc/69/28/52/789692852.db2.gz PNWAUBMKWVQDMJ-UONOGXRCSA-N 0 3 324.856 2.452 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cc(C)ccn32)CC[C@@H]1C ZINC001071533332 789764614 /nfs/dbraw/zinc/76/46/14/789764614.db2.gz FXHMXYWJJHBVEF-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnn2CCC)CC[C@@H]1C ZINC001071540972 789768071 /nfs/dbraw/zinc/76/80/71/789768071.db2.gz YLXTZJXZGTZGEY-GJZGRUSLSA-N 0 3 304.438 2.452 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071573592 789788528 /nfs/dbraw/zinc/78/85/28/789788528.db2.gz ICANJMGYLMALAG-HOTGVXAUSA-N 0 3 313.445 2.430 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C(C)(C)C)c2)CC[C@H]1C ZINC001071630883 789827149 /nfs/dbraw/zinc/82/71/49/789827149.db2.gz DRRZPNUTJMQQLD-GDBMZVCRSA-N 0 3 316.449 2.244 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)CC[C@@H]1C ZINC001071647101 789838463 /nfs/dbraw/zinc/83/84/63/789838463.db2.gz DZLRMNJPIDWWFK-WCQYABFASA-N 0 3 324.856 2.080 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]c(=O)cc2C)CC[C@H]1C ZINC001071817299 789927391 /nfs/dbraw/zinc/92/73/91/789927391.db2.gz DJZMBABDPVWLDJ-ZIAGYGMSSA-N 0 3 303.406 2.254 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3c2OCC3)CC[C@H]1C ZINC001071834690 789935346 /nfs/dbraw/zinc/93/53/46/789935346.db2.gz BHQTUFPEJYHDTM-ZBFHGGJFSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3c2OCC3)CC[C@@H]1C ZINC001071834689 789935846 /nfs/dbraw/zinc/93/58/46/789935846.db2.gz BHQTUFPEJYHDTM-HOCLYGCPSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(CC)cn2)CC[C@H]1C ZINC001071836680 789936830 /nfs/dbraw/zinc/93/68/30/789936830.db2.gz WKWSTCWMXJPTQM-CRAIPNDOSA-N 0 3 313.445 2.179 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2cc(Cl)cn2)CC[C@@H]1C ZINC001071854536 789944483 /nfs/dbraw/zinc/94/44/83/789944483.db2.gz BTNGSXIZDAUKHG-JSGCOSHPSA-N 0 3 310.829 2.082 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@@H]1C ZINC001071940179 789979920 /nfs/dbraw/zinc/97/99/20/789979920.db2.gz WERKQGBOYRVZCG-BBRMVZONSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CC[C@H]1C ZINC001071961647 789989255 /nfs/dbraw/zinc/98/92/55/789989255.db2.gz UDSGTBCGKYQATD-CABCVRRESA-N 0 3 317.433 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)CC[C@H]1C ZINC001071989852 790001174 /nfs/dbraw/zinc/00/11/74/790001174.db2.gz RSCPFXFCGUCCNR-KGLIPLIRSA-N 0 3 316.449 2.068 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnccc2N(C)C)CC[C@@H]1C ZINC001072000164 790006939 /nfs/dbraw/zinc/00/69/39/790006939.db2.gz VGSBJQRWRXAKFT-GJZGRUSLSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2OC)CC[C@@H]1C ZINC001072013125 790012609 /nfs/dbraw/zinc/01/26/09/790012609.db2.gz WPJYOWVBKTXOQK-LSDHHAIUSA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccnc2N(C)C)CC[C@H]1C ZINC001072073595 790041927 /nfs/dbraw/zinc/04/19/27/790041927.db2.gz ZZQPCPHKUAUGEA-CABCVRRESA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cncnc2C(C)C)CC[C@@H]1C ZINC001072085790 790047613 /nfs/dbraw/zinc/04/76/13/790047613.db2.gz ZJTRFZOZMZTNAQ-LSDHHAIUSA-N 0 3 314.433 2.206 20 30 DEEDHN COc1cccc(CN2CCC3(CN(C(=O)C#CC4CC4)C3)C2)c1 ZINC001072718818 790229289 /nfs/dbraw/zinc/22/92/89/790229289.db2.gz OZEZOUIRKBIUJI-UHFFFAOYSA-N 0 3 324.424 2.143 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C(C)(C)[C@H]3CCCCO3)C2)C1 ZINC001072743174 790235813 /nfs/dbraw/zinc/23/58/13/790235813.db2.gz BQNANLFPOFALNO-OAHLLOKOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)Oc3ccccc3F)C2)C1 ZINC001072770997 790243098 /nfs/dbraw/zinc/24/30/98/790243098.db2.gz ICEXVCCVRIHEPL-AWEZNQCLSA-N 0 3 318.392 2.313 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCc2ccc(F)cc2F)[C@@H]1C ZINC001074568138 791234507 /nfs/dbraw/zinc/23/45/07/791234507.db2.gz KWDJBDHLUKRNCM-ZETOZRRWSA-N 0 3 307.344 2.203 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1F)C2 ZINC001098318234 791608327 /nfs/dbraw/zinc/60/83/27/791608327.db2.gz DGIWNUJCUPEYEM-OIISXLGYSA-N 0 3 300.377 2.113 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(COC)n1)C2 ZINC001098487837 791639084 /nfs/dbraw/zinc/63/90/84/791639084.db2.gz RLNZGIBIJGBBCZ-BZPMIXESSA-N 0 3 321.446 2.201 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1coc(C)c1)C[C@H](C)O2 ZINC001098589997 791658449 /nfs/dbraw/zinc/65/84/49/791658449.db2.gz NXKDDGCQNWGMPI-HNNXBMFYSA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4occc4c3)C[C@]2(C)C1 ZINC001091692017 791708869 /nfs/dbraw/zinc/70/88/69/791708869.db2.gz VSTZFESQCDMHTI-APWZRJJASA-N 0 3 308.381 2.460 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001148727818 791793803 /nfs/dbraw/zinc/79/38/03/791793803.db2.gz MNUUPOGDIYVRKA-CQSZACIVSA-N 0 3 311.470 2.110 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccnc(F)c3)C2)CC1 ZINC001086909599 791847030 /nfs/dbraw/zinc/84/70/30/791847030.db2.gz ZABDUYBQBXFTHN-AWEZNQCLSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cocn3)C2)CC1 ZINC001086910371 791847857 /nfs/dbraw/zinc/84/78/57/791847857.db2.gz RTRLUKNKQMSELK-AWEZNQCLSA-N 0 3 301.390 2.015 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001086922025 791852314 /nfs/dbraw/zinc/85/23/14/791852314.db2.gz IJJAXXSFKVTKRV-KGLIPLIRSA-N 0 3 310.388 2.368 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3nocc3C)C2)CC1 ZINC001086952368 791862435 /nfs/dbraw/zinc/86/24/35/791862435.db2.gz GRKCKVOHQBPOMU-OAHLLOKOSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(F)cc(C)cc3F)C[C@]2(C)C1 ZINC001091840107 791888967 /nfs/dbraw/zinc/88/89/67/791888967.db2.gz SCNCURFKUMHTIW-ACJLOTCBSA-N 0 3 318.367 2.300 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc4cnccc4o3)C[C@]2(C)C1 ZINC001091824470 791891984 /nfs/dbraw/zinc/89/19/84/791891984.db2.gz 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ZINC001098940048 791990672 /nfs/dbraw/zinc/99/06/72/791990672.db2.gz BPELJSTWMGQFBY-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001098996292 792025450 /nfs/dbraw/zinc/02/54/50/792025450.db2.gz YWKPZIIJORSIQY-KSSFIOAISA-N 0 3 315.417 2.171 20 30 DEEDHN CC(=O)NC[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC001092418620 792031839 /nfs/dbraw/zinc/03/18/39/792031839.db2.gz GDFHQEYBAQONEX-CZUORRHYSA-N 0 3 304.821 2.396 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccc(Cl)c2)C1 ZINC001099009319 792033807 /nfs/dbraw/zinc/03/38/07/792033807.db2.gz AQAOLZJOUXJDCX-YJBOKZPZSA-N 0 3 316.832 2.486 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(CC3CC3)n2)C1 ZINC001099099556 792091255 /nfs/dbraw/zinc/09/12/55/792091255.db2.gz LTVHFGILXMCPPA-KSSFIOAISA-N 0 3 315.417 2.397 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC001092698970 792115170 /nfs/dbraw/zinc/11/51/70/792115170.db2.gz QXYJHJIJQRKTIW-CHWSQXEVSA-N 0 3 319.474 2.372 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001099146104 792115293 /nfs/dbraw/zinc/11/52/93/792115293.db2.gz YOQKJGJGZQFCQM-UGSOOPFHSA-N 0 3 310.401 2.333 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCn1ccnc1 ZINC001099158634 792120046 /nfs/dbraw/zinc/12/00/46/792120046.db2.gz JKZPQWGEOINPFW-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2Cl)C1 ZINC001099164845 792122300 /nfs/dbraw/zinc/12/23/00/792122300.db2.gz GDJMKBDECYKYEN-NHYWBVRUSA-N 0 3 323.849 2.404 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2scnc2C)C[C@H]1C(F)(F)F ZINC001099217811 792141758 /nfs/dbraw/zinc/14/17/58/792141758.db2.gz ZVPLPEKIZQTOBV-NXEZZACHSA-N 0 3 319.352 2.230 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC=C ZINC001099364673 792183921 /nfs/dbraw/zinc/18/39/21/792183921.db2.gz OJLXQEDRKRSDKH-HZPDHXFCSA-N 0 3 306.450 2.208 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CC=C)CC2(CCOCC2)C1 ZINC001099579725 792250282 /nfs/dbraw/zinc/25/02/82/792250282.db2.gz YZJAWXLZTUBEAK-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC001093223526 792294405 /nfs/dbraw/zinc/29/44/05/792294405.db2.gz AXDSOEWWIGMACO-CHWSQXEVSA-N 0 3 319.474 2.372 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c(Cl)cccc2OC)[C@H](C)C1 ZINC001093223646 792294558 /nfs/dbraw/zinc/29/45/58/792294558.db2.gz GALSQHJYVOKTCT-CHWSQXEVSA-N 0 3 320.820 2.280 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C[C@H]1O ZINC001099726548 792328596 /nfs/dbraw/zinc/32/85/96/792328596.db2.gz IBOARWHPCSHTBR-QZTJIDSGSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc(Cl)cn1)C2 ZINC001110145000 792365038 /nfs/dbraw/zinc/36/50/38/792365038.db2.gz BEWCFLFVTHTPSK-ILXRZTDVSA-N 0 3 322.840 2.224 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C[C@H]1O ZINC001099944865 792413518 /nfs/dbraw/zinc/41/35/18/792413518.db2.gz RYBGFBYHJHKQLA-IAGOWNOFSA-N 0 3 316.445 2.259 20 30 DEEDHN C[C@@H](NC1CC(CNC(=O)C#CC(C)(C)C)C1)c1cnccn1 ZINC001100317404 792588114 /nfs/dbraw/zinc/58/81/14/792588114.db2.gz SACSOAMCXCBTBW-WLYUNCDWSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001100373686 792618979 /nfs/dbraw/zinc/61/89/79/792618979.db2.gz HCSMBFVUBNHRKJ-IYXRBSQSSA-N 0 3 319.453 2.269 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001100530634 792707265 /nfs/dbraw/zinc/70/72/65/792707265.db2.gz FBNVBTJPQVRPTA-ZOODHJKOSA-N 0 3 324.856 2.151 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001094018218 792708493 /nfs/dbraw/zinc/70/84/93/792708493.db2.gz LLYNKHBORWZZKD-XJKCOSOUSA-N 0 3 322.478 2.325 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2c(C)noc2C)C1 ZINC001100590381 792738067 /nfs/dbraw/zinc/73/80/67/792738067.db2.gz WYVMVBMEWVSSIN-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001100599494 792744327 /nfs/dbraw/zinc/74/43/27/792744327.db2.gz YXALUNSDAATTHY-UHFFFAOYSA-N 0 3 319.836 2.350 20 30 DEEDHN C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001171443629 792918008 /nfs/dbraw/zinc/91/80/08/792918008.db2.gz BVYQLSBWYZEADX-ZDUSSCGKSA-N 0 3 306.410 2.027 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc4[nH]ccc4n3)CCC[C@@H]12 ZINC001094468885 792922316 /nfs/dbraw/zinc/92/23/16/792922316.db2.gz YDYMNLNEQTUFMT-IEBWSBKVSA-N 0 3 322.412 2.171 20 30 DEEDHN Cc1c[nH]cc1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100976820 792952520 /nfs/dbraw/zinc/95/25/20/792952520.db2.gz MLWZMEKBTRZYBK-UHFFFAOYSA-N 0 3 321.424 2.473 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ocnc3C(F)F)CCC[C@@H]12 ZINC001094513452 792957929 /nfs/dbraw/zinc/95/79/29/792957929.db2.gz WNXNFJSOZMFUIN-BDJLRTHQSA-N 0 3 323.343 2.220 20 30 DEEDHN C=CCCOCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001101053017 792990528 /nfs/dbraw/zinc/99/05/28/792990528.db2.gz DJPFFPUFUOOTKQ-UHFFFAOYSA-N 0 3 320.408 2.403 20 30 DEEDHN C=C(C)CN1CC[C@H](Oc2ccnc(CNC(=O)C(C)C)c2)C1 ZINC001101091225 793013134 /nfs/dbraw/zinc/01/31/34/793013134.db2.gz XRTYZNGIEWXUGB-KRWDZBQOSA-N 0 3 317.433 2.383 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001101279760 793097153 /nfs/dbraw/zinc/09/71/53/793097153.db2.gz YSWOONGMHWYHJV-MDZRGWNJSA-N 0 3 320.477 2.099 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H](N2CCC(CC#N)CC2)CC1=O ZINC001171712208 793179836 /nfs/dbraw/zinc/17/98/36/793179836.db2.gz AAOORBFRGNCVAE-ZDUSSCGKSA-N 0 3 307.394 2.148 20 30 DEEDHN C=CC[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171731444 793186259 /nfs/dbraw/zinc/18/62/59/793186259.db2.gz BDXKKUDMOMOVSP-UAGQMJEPSA-N 0 3 302.418 2.357 20 30 DEEDHN C#Cc1ccc(CN[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171691616 793191566 /nfs/dbraw/zinc/19/15/66/793191566.db2.gz SZLGZPUUKJCDGO-OAHLLOKOSA-N 0 3 314.385 2.294 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(OC)cccc1OC ZINC001171932690 793265568 /nfs/dbraw/zinc/26/55/68/793265568.db2.gz GFOAUQBCUMBNEY-UHFFFAOYSA-N 0 3 312.797 2.166 20 30 DEEDHN CCOC(=O)C1(C)CCC([NH2+][C@@H](CC(C)C)C(=O)N[O-])CC1 ZINC001171948922 793272827 /nfs/dbraw/zinc/27/28/27/793272827.db2.gz XEWBXYXXBURJTL-UYJPIKCFSA-N 0 3 314.426 2.008 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)c2sccc2C)[C@H](C)C1 ZINC001101680855 793316143 /nfs/dbraw/zinc/31/61/43/793316143.db2.gz HZBQPPZFFXCCSX-HUUCEWRRSA-N 0 3 320.458 2.004 20 30 DEEDHN C[C@H](CCCC#N)n1cc(Br)ccc1=NCCN ZINC001172487202 793433102 /nfs/dbraw/zinc/43/31/02/793433102.db2.gz GBKAFKWVMFQSAL-LLVKDONJSA-N 0 3 311.227 2.365 20 30 DEEDHN Cc1ncc(CN2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)s1 ZINC001101946828 793455758 /nfs/dbraw/zinc/45/57/58/793455758.db2.gz LRTIWDDBVFRDGY-UKRRQHHQSA-N 0 3 319.474 2.295 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H]2CCC[C@@H](C(=O)OC)C2)C1 ZINC001172624786 793468749 /nfs/dbraw/zinc/46/87/49/793468749.db2.gz ZNEFCSUTZKXOKA-RBSFLKMASA-N 0 3 324.421 2.095 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)cn1 ZINC001172667213 793474061 /nfs/dbraw/zinc/47/40/61/793474061.db2.gz MWFMVHHYASNFKL-QGZVFWFLSA-N 0 3 320.396 2.234 20 30 DEEDHN C=C(C)[C@H](CC(=O)NC[C@@H]1CN(CCF)C[C@H]1C)OCC ZINC001102014225 793478876 /nfs/dbraw/zinc/47/88/76/793478876.db2.gz RBZIVCPHKQIESQ-KFWWJZLASA-N 0 3 300.418 2.011 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H]2CCCC2(C)C)[C@H](C)C1 ZINC001102242670 793543396 /nfs/dbraw/zinc/54/33/96/793543396.db2.gz HAISBAULOWTYPT-BRWVUGGUSA-N 0 3 320.477 2.147 20 30 DEEDHN CCCC1(C(=O)NC[C@@H]2CN(CC#CCOC)C[C@H]2C)CCC1 ZINC001102256114 793547710 /nfs/dbraw/zinc/54/77/10/793547710.db2.gz AVLBHRBZOGYMKE-IAGOWNOFSA-N 0 3 320.477 2.291 20 30 DEEDHN CO[C@@H]1CCCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172978783 793549522 /nfs/dbraw/zinc/54/95/22/793549522.db2.gz AOXZORAAMVXPNP-SOUVJXGZSA-N 0 3 323.437 2.389 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC[C@@H](O)CC2)C[C@H]1C#N ZINC001172980709 793549713 /nfs/dbraw/zinc/54/97/13/793549713.db2.gz OWGLCVVJTFVHNL-SOUVJXGZSA-N 0 3 323.437 2.125 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150140694 793615064 /nfs/dbraw/zinc/61/50/64/793615064.db2.gz VDXQUCOZHKVUKJ-GJZGRUSLSA-N 0 3 300.418 2.155 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3nccc(C)n3)CC2)CC1 ZINC001173325367 793678822 /nfs/dbraw/zinc/67/88/22/793678822.db2.gz KILHAULCGCRIOV-UHFFFAOYSA-N 0 3 316.449 2.421 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2ccon2)C1 ZINC001102803737 793765764 /nfs/dbraw/zinc/76/57/64/793765764.db2.gz DBLNFZHCBRIKOD-DGCLKSJQSA-N 0 3 311.813 2.044 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2cccnc2)C1 ZINC001102863979 793795711 /nfs/dbraw/zinc/79/57/11/793795711.db2.gz QQSHWWFKYVYTLV-CZUORRHYSA-N 0 3 321.852 2.451 20 30 DEEDHN C=CCN1CCN([C@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173728334 793848303 /nfs/dbraw/zinc/84/83/03/793848303.db2.gz RSVUPNOUBBPAQL-OAHLLOKOSA-N 0 3 302.418 2.208 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2cncc2C)C1 ZINC001103234206 793993896 /nfs/dbraw/zinc/99/38/96/793993896.db2.gz GNHKQNBDUUKOHZ-IUODEOHRSA-N 0 3 324.856 2.018 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccsc2C)C1 ZINC001150410888 794089251 /nfs/dbraw/zinc/08/92/51/794089251.db2.gz RZJBZQFJXHEDLF-INIZCTEOSA-N 0 3 322.474 2.382 20 30 DEEDHN C=C(Br)CNCC[C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001103795756 794228554 /nfs/dbraw/zinc/22/85/54/794228554.db2.gz VGGHAGQERVNPTC-ZYHUDNBSSA-N 0 3 303.244 2.379 20 30 DEEDHN CCCCCCN(C)CC(=O)N[C@H](C)CCCCNCC#N ZINC001175745565 794277553 /nfs/dbraw/zinc/27/75/53/794277553.db2.gz DJHILISSKXZPIC-MRXNPFEDSA-N 0 3 310.486 2.287 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104004997 794342233 /nfs/dbraw/zinc/34/22/33/794342233.db2.gz QJSNPNOYNNALHO-HDMKZQKVSA-N 0 3 324.428 2.292 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C ZINC001104010267 794345485 /nfs/dbraw/zinc/34/54/85/794345485.db2.gz MVYTVQMNBKZUHZ-DGCLKSJQSA-N 0 3 314.857 2.428 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2ocnc2C)C1 ZINC001104126942 794389602 /nfs/dbraw/zinc/38/96/02/794389602.db2.gz JSQBXESYRKDWCV-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001176816206 794504762 /nfs/dbraw/zinc/50/47/62/794504762.db2.gz YXDJTQYHCYXMMP-UKRRQHHQSA-N 0 3 323.437 2.339 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001111868548 794507158 /nfs/dbraw/zinc/50/71/58/794507158.db2.gz CJLPQFXQEXWTCK-MPGHIAIKSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CSCCC)C[C@H]1C(F)(F)F ZINC001112058781 794551603 /nfs/dbraw/zinc/55/16/03/794551603.db2.gz QOQVSRBUIPTKRL-VXGBXAGGSA-N 0 3 322.396 2.132 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1C(F)(F)F ZINC001112068537 794553383 /nfs/dbraw/zinc/55/33/83/794553383.db2.gz DNFPGPNDBQOXGU-HBNTYKKESA-N 0 3 310.385 2.150 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1C(F)(F)F ZINC001112087601 794558197 /nfs/dbraw/zinc/55/81/97/794558197.db2.gz LQYLAVGFMYVOTH-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1C(F)(F)F ZINC001112088744 794558421 /nfs/dbraw/zinc/55/84/21/794558421.db2.gz XJPIAKMRAWTZOQ-CHWSQXEVSA-N 0 3 314.307 2.204 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](C)OC)C1 ZINC001112143396 794563551 /nfs/dbraw/zinc/56/35/51/794563551.db2.gz WNGLJALCODJBTO-IJLUTSLNSA-N 0 3 322.371 2.212 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001177269339 794629407 /nfs/dbraw/zinc/62/94/07/794629407.db2.gz JTWYHTSDISTZMC-CQSZACIVSA-N 0 3 323.437 2.293 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(CC)cc1C ZINC001115123969 794684952 /nfs/dbraw/zinc/68/49/52/794684952.db2.gz XPTJXABOVBZFHC-ZSHCYNCHSA-N 0 3 318.417 2.013 20 30 DEEDHN C=CCCC(=O)NCCCCCCNCc1cc(OC)no1 ZINC001178007870 794794618 /nfs/dbraw/zinc/79/46/18/794794618.db2.gz MVHCCBMAQISMSZ-UHFFFAOYSA-N 0 3 309.410 2.416 20 30 DEEDHN Cc1cnc(CNCCCCCCNC(=O)[C@H](C)C#N)s1 ZINC001178052540 794807196 /nfs/dbraw/zinc/80/71/96/794807196.db2.gz ITRBVTBVLRZTGZ-GFCCVEGCSA-N 0 3 308.451 2.377 20 30 DEEDHN O=C(C#CC1CC1)NCCCCCCNCc1nccs1 ZINC001178435242 794913428 /nfs/dbraw/zinc/91/34/28/794913428.db2.gz JZDFDXFWBVSVFD-UHFFFAOYSA-N 0 3 305.447 2.323 20 30 DEEDHN Cn1ccnc1CNCCCCCCNC(=O)C#CC(C)(C)C ZINC001178445887 794916588 /nfs/dbraw/zinc/91/65/88/794916588.db2.gz HCODAHMPKCLANR-UHFFFAOYSA-N 0 3 318.465 2.236 20 30 DEEDHN CC[C@@H](C(=O)N(C)C[C@@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001115785187 794919054 /nfs/dbraw/zinc/91/90/54/794919054.db2.gz BIWSBLFWQZIEHB-WBMJQRKESA-N 0 3 320.412 2.296 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccoc1 ZINC001178530024 794940959 /nfs/dbraw/zinc/94/09/59/794940959.db2.gz PDWRUNAMTABFKJ-LPHOPBHVSA-N 0 3 322.408 2.453 20 30 DEEDHN C=C(C)CCC(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001178596006 794951018 /nfs/dbraw/zinc/95/10/18/794951018.db2.gz BWMRXFTYGQQVKD-UHFFFAOYSA-N 0 3 307.442 2.236 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)C#CC1CC1 ZINC001178645959 794964330 /nfs/dbraw/zinc/96/43/30/794964330.db2.gz WCAHKZLTTDQRPF-KXBFYZLASA-N 0 3 324.399 2.170 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179212107 795076289 /nfs/dbraw/zinc/07/62/89/795076289.db2.gz CZRMZTXIRMISRC-UHFFFAOYSA-N 0 3 321.469 2.482 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2ccccc2OC)CCC1 ZINC001117735021 795100623 /nfs/dbraw/zinc/10/06/23/795100623.db2.gz OHNUJSLKSHHSCL-UHFFFAOYSA-N 0 3 314.429 2.188 20 30 DEEDHN C#CCN1CCC[C@H](NCc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001119504055 795313147 /nfs/dbraw/zinc/31/31/47/795313147.db2.gz AEULRFSDWKCQHX-KBPBESRZSA-N 0 3 303.475 2.455 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cnc(C)cn2)C1 ZINC001180853029 795383546 /nfs/dbraw/zinc/38/35/46/795383546.db2.gz RWKUUNLFJRAVGL-RDTXWAMCSA-N 0 3 316.449 2.325 20 30 DEEDHN CCO[C@H](CC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001181403754 795471788 /nfs/dbraw/zinc/47/17/88/795471788.db2.gz BLPDCWYQYKVOIS-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cc(C)ns2)C1 ZINC001181468931 795477995 /nfs/dbraw/zinc/47/79/95/795477995.db2.gz FXINRYVZKGTWAV-UONOGXRCSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC001181639643 795503835 /nfs/dbraw/zinc/50/38/35/795503835.db2.gz XNZNNLMKGKHFPS-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC001181639644 795503909 /nfs/dbraw/zinc/50/39/09/795503909.db2.gz XNZNNLMKGKHFPS-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cnccc2C)C1 ZINC001181890467 795557571 /nfs/dbraw/zinc/55/75/71/795557571.db2.gz JEORZEXQWOYQKL-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(COC)cc1 ZINC001182200843 795623920 /nfs/dbraw/zinc/62/39/20/795623920.db2.gz RIVJVBXSDCNLMU-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(NC(=O)CCCCC)CC1 ZINC001121943410 795707828 /nfs/dbraw/zinc/70/78/28/795707828.db2.gz FZSNFEYJUHQZET-INIZCTEOSA-N 0 3 323.481 2.358 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@H](C)COC)C2 ZINC001122001703 795715064 /nfs/dbraw/zinc/71/50/64/795715064.db2.gz VIJQFCOXZLEITN-VBTSJIPESA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1nc2cccc(C)c2n1C ZINC001122053912 795721373 /nfs/dbraw/zinc/72/13/73/795721373.db2.gz HLFMOGUNNREGNN-ZDUSSCGKSA-N 0 3 300.406 2.182 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCCn2nncc2C1 ZINC001122214638 795736688 /nfs/dbraw/zinc/73/66/88/795736688.db2.gz JKBLCBIWKMBAEP-OAHLLOKOSA-N 0 3 307.442 2.088 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@H](NC/C=C/Cl)C1)OCC ZINC001182973432 795791901 /nfs/dbraw/zinc/79/19/01/795791901.db2.gz KIZPBNCTTYPPBU-UMGRQFOVSA-N 0 3 300.830 2.301 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2ccccc2[C@@H]1O ZINC001183390772 795863529 /nfs/dbraw/zinc/86/35/29/795863529.db2.gz LEMZJGSPPFDMPJ-SZMVWBNQSA-N 0 3 314.429 2.049 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001151340267 795881778 /nfs/dbraw/zinc/88/17/78/795881778.db2.gz QHGQJNIDVHCRLZ-HNNXBMFYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(O)cc1 ZINC001183780325 795935048 /nfs/dbraw/zinc/93/50/48/795935048.db2.gz LQJSCHUPLYFOGW-HNNXBMFYSA-N 0 3 302.418 2.436 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCCN1C ZINC001123649039 795948702 /nfs/dbraw/zinc/94/87/02/795948702.db2.gz BWWPBSGMCDDLBE-QGZVFWFLSA-N 0 3 317.408 2.455 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2cnns2)[C@@H](C)C1 ZINC001184497799 796066306 /nfs/dbraw/zinc/06/63/06/796066306.db2.gz NCILGNASNNDBHC-KBPBESRZSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2ccn(C)n2)[C@@H](C)C1 ZINC001184498527 796072235 /nfs/dbraw/zinc/07/22/35/796072235.db2.gz SLUHXNPVTPMEFU-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOc1ccc(CN2CCC(C)(C(=O)OC)CC2)cc1 ZINC001138558680 796234763 /nfs/dbraw/zinc/23/47/63/796234763.db2.gz DYFPHNQWMAAWSC-UHFFFAOYSA-N 0 3 301.386 2.474 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC001138558300 796235411 /nfs/dbraw/zinc/23/54/11/796235411.db2.gz PRYBEEWKOHVQDV-LJQANCHMSA-N 0 3 312.413 2.333 20 30 DEEDHN C=C(C)COc1ccccc1CN1CC[C@](C)(CO)[C@@H](O)C1 ZINC001138662119 796254395 /nfs/dbraw/zinc/25/43/95/796254395.db2.gz OUUVTUXRGRTVGC-ZWKOTPCHSA-N 0 3 305.418 2.207 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2cccc(Cl)c2F)C1 ZINC001185889951 796330223 /nfs/dbraw/zinc/33/02/23/796330223.db2.gz RUFMFURAFGXGLG-CYBMUJFWSA-N 0 3 308.784 2.235 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2(O)CCC2)C12CCC2 ZINC001202899703 796331457 /nfs/dbraw/zinc/33/14/57/796331457.db2.gz PQHYDWMBBGYYKN-STQMWFEESA-N 0 3 312.841 2.061 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001185881359 796333594 /nfs/dbraw/zinc/33/35/94/796333594.db2.gz GTKKKQLDQFCDOG-BRWVUGGUSA-N 0 3 318.461 2.043 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4cncn4)cc3)CCC2S1 ZINC001139329482 796358695 /nfs/dbraw/zinc/35/86/95/796358695.db2.gz YQPBUMYKKZUWIC-OAHLLOKOSA-N 0 3 312.398 2.041 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(-n4cncn4)cc3)CC[C@H]2S1 ZINC001139329482 796358700 /nfs/dbraw/zinc/35/87/00/796358700.db2.gz YQPBUMYKKZUWIC-OAHLLOKOSA-N 0 3 312.398 2.041 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001186102822 796360897 /nfs/dbraw/zinc/36/08/97/796360897.db2.gz CTNVOCWMUBTHJR-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCc1ncn2c1CN(CC1(CC)COC1)CCC2 ZINC001202935889 796377733 /nfs/dbraw/zinc/37/77/33/796377733.db2.gz HCDXGMIDYGVREL-UHFFFAOYSA-N 0 3 305.422 2.218 20 30 DEEDHN N#Cc1cccc2c(CN3CCC4(COC(=O)N4)CC3)c[nH]c21 ZINC001139707327 796413548 /nfs/dbraw/zinc/41/35/48/796413548.db2.gz WUAFNGBFBKLKLZ-UHFFFAOYSA-N 0 3 310.357 2.114 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001186715544 796433530 /nfs/dbraw/zinc/43/35/30/796433530.db2.gz DQJFKAAYASTKLT-ZWKOTPCHSA-N 0 3 314.429 2.344 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccc(C)cn2)CC1 ZINC001139841409 796436017 /nfs/dbraw/zinc/43/60/17/796436017.db2.gz QENNQUPTOACXPP-UHFFFAOYSA-N 0 3 314.477 2.182 20 30 DEEDHN O=C1C=C2CN(Cc3c[nH]c4ncnc(Cl)c34)CCC2S1 ZINC001139940344 796448544 /nfs/dbraw/zinc/44/85/44/796448544.db2.gz DQPAKKIPWFYVDV-SNVBAGLBSA-N 0 3 320.805 2.337 20 30 DEEDHN C=CCCCCCN1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001186994795 796475167 /nfs/dbraw/zinc/47/51/67/796475167.db2.gz XFZOQKPTTKVAAN-UONOGXRCSA-N 0 3 320.462 2.431 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001187083278 796486607 /nfs/dbraw/zinc/48/66/07/796486607.db2.gz BRFKMSSYXLONQB-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN CCCCCC[C@H](F)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001187099876 796489249 /nfs/dbraw/zinc/48/92/49/796489249.db2.gz SRUWHSSNXAYYNI-CVEARBPZSA-N 0 3 312.429 2.135 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2OC)C1 ZINC001187161334 796489728 /nfs/dbraw/zinc/48/97/28/796489728.db2.gz MQRLXSVKHVGYBC-HZPDHXFCSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001187328826 796518746 /nfs/dbraw/zinc/51/87/46/796518746.db2.gz LMJVUBJHWFVOFO-MRXNPFEDSA-N 0 3 323.481 2.230 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001188032957 796620062 /nfs/dbraw/zinc/62/00/62/796620062.db2.gz JKGSHBRCNFQLJB-QHQPLOKBSA-N 0 3 302.805 2.371 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccn4ccnc4c3)C2)C1=O ZINC001141048235 796625947 /nfs/dbraw/zinc/62/59/47/796625947.db2.gz IEQKBFYNKCUVFT-IBGZPJMESA-N 0 3 324.428 2.335 20 30 DEEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)cc(O)c1OC ZINC001141169865 796645149 /nfs/dbraw/zinc/64/51/49/796645149.db2.gz XTDLLMVNEXWCNI-AWEZNQCLSA-N 0 3 321.398 2.184 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001188224027 796645367 /nfs/dbraw/zinc/64/53/67/796645367.db2.gz GBWOFSKQQBMGTO-CYBMUJFWSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001188309656 796655037 /nfs/dbraw/zinc/65/50/37/796655037.db2.gz GJZXMPNMNLCZEI-GXTWGEPZSA-N 0 3 323.462 2.042 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001188322269 796657902 /nfs/dbraw/zinc/65/79/02/796657902.db2.gz IFBKUSKPFCALNR-GVDBMIGSSA-N 0 3 318.461 2.302 20 30 DEEDHN N#C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccncc3)CC2)C1 ZINC001142343714 796736752 /nfs/dbraw/zinc/73/67/52/796736752.db2.gz KTWDMSIJWROJQS-INIZCTEOSA-N 0 3 312.417 2.056 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189003470 796754279 /nfs/dbraw/zinc/75/42/79/796754279.db2.gz LRVHISOPZACYLG-YOEHRIQHSA-N 0 3 315.417 2.016 20 30 DEEDHN O=C1C=C2CN(Cc3scc4c3OCCO4)CCC2S1 ZINC001143184468 796809413 /nfs/dbraw/zinc/80/94/13/796809413.db2.gz DZGTZBRLSFUQCC-LLVKDONJSA-N 0 3 309.412 2.293 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](N(C)C[C@H]2CCCCO2)C1 ZINC001189744190 796875405 /nfs/dbraw/zinc/87/54/05/796875405.db2.gz OWANBBSADJQGTP-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C[C@H](Oc1ccccc1)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001149777981 796893656 /nfs/dbraw/zinc/89/36/56/796893656.db2.gz IIQWUZKUZPSJMU-HNNXBMFYSA-N 0 3 323.396 2.232 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001150317723 796935555 /nfs/dbraw/zinc/93/55/55/796935555.db2.gz JKHJZKXMXRYARE-LSDHHAIUSA-N 0 3 320.458 2.082 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001190338023 796982617 /nfs/dbraw/zinc/98/26/17/796982617.db2.gz XAXDXNBRQQELCE-SJLPKXTDSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001190428064 797004181 /nfs/dbraw/zinc/00/41/81/797004181.db2.gz ALGDHBCXCBUIGB-ZDUSSCGKSA-N 0 3 304.381 2.157 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001190450258 797010684 /nfs/dbraw/zinc/01/06/84/797010684.db2.gz UYKSDYVZYDQVMF-BPQIPLTHSA-N 0 3 314.429 2.310 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001151313025 797033124 /nfs/dbraw/zinc/03/31/24/797033124.db2.gz WWIXOZRHSIVVHD-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001206640765 797037832 /nfs/dbraw/zinc/03/78/32/797037832.db2.gz JGOGLTNFJVUSJX-HBUWYVDXSA-N 0 3 322.412 2.331 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cccn2CC)CC1 ZINC001151410187 797040577 /nfs/dbraw/zinc/04/05/77/797040577.db2.gz SYRHZIJZFXHRCT-UHFFFAOYSA-N 0 3 319.449 2.295 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001190870926 797099212 /nfs/dbraw/zinc/09/92/12/797099212.db2.gz XFAJJVDZVYXJGA-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](CCCC)C(N)=O)CCCCC1 ZINC001151998057 797130245 /nfs/dbraw/zinc/13/02/45/797130245.db2.gz OXWLQVCNLQFLAM-OAHLLOKOSA-N 0 3 323.481 2.263 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2nc(N)sc21 ZINC001152186814 797154551 /nfs/dbraw/zinc/15/45/51/797154551.db2.gz JACSCGONUVRMLI-NSHDSACASA-N 0 3 316.430 2.259 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OCOC)cc1 ZINC001191287260 797173454 /nfs/dbraw/zinc/17/34/54/797173454.db2.gz HZAHIANVXFAXRH-HNNXBMFYSA-N 0 3 304.390 2.050 20 30 DEEDHN C[C@@H](C[C@@H]1CCCO1)C(=O)NCCNCc1ccc(C#N)s1 ZINC001153024601 797271320 /nfs/dbraw/zinc/27/13/20/797271320.db2.gz OFLOCECBMMVUKB-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCOC[C@H]2CCCO2)C1 ZINC001192094552 797325542 /nfs/dbraw/zinc/32/55/42/797325542.db2.gz VAQFPQMKNRIXIM-IAGOWNOFSA-N 0 3 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ZINC001207666800 800802722 /nfs/dbraw/zinc/80/27/22/800802722.db2.gz PHPZNLDCWBCCSI-UKRRQHHQSA-N 0 3 320.437 2.203 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@@H](NCc2cncc(F)c2)C1 ZINC001207860665 800850915 /nfs/dbraw/zinc/85/09/15/800850915.db2.gz OVRDEMVVLSRSIA-QGZVFWFLSA-N 0 3 317.408 2.495 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001207884594 800856464 /nfs/dbraw/zinc/85/64/64/800856464.db2.gz RQLCIBSJVFZNCG-CZUORRHYSA-N 0 3 312.417 2.118 20 30 DEEDHN Cc1ncc(CN[C@@H]2CCCN(C(=O)C#CC(C)C)C2)s1 ZINC001207995289 800886653 /nfs/dbraw/zinc/88/66/53/800886653.db2.gz DQSLQPNHXAVUCZ-CQSZACIVSA-N 0 3 305.447 2.192 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207998673 800886836 /nfs/dbraw/zinc/88/68/36/800886836.db2.gz NOLLDCYLZOACHP-IBGZPJMESA-N 0 3 306.409 2.032 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001208213593 800931637 /nfs/dbraw/zinc/93/16/37/800931637.db2.gz SHZDDUFCOCPKGX-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1C ZINC001208315442 800952503 /nfs/dbraw/zinc/95/25/03/800952503.db2.gz ZRDFFKJHIBMOAZ-CZUORRHYSA-N 0 3 318.465 2.149 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1C ZINC001208374839 800970401 /nfs/dbraw/zinc/97/04/01/800970401.db2.gz ZWRXNIANJCYFOF-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208393647 800974862 /nfs/dbraw/zinc/97/48/62/800974862.db2.gz VSMJZEIFUDFNIL-BFYDXBDKSA-N 0 3 318.465 2.001 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001208919553 801093400 /nfs/dbraw/zinc/09/34/00/801093400.db2.gz UCTFUYRVZNRGFA-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCOC(=O)CCN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001209039148 801118207 /nfs/dbraw/zinc/11/82/07/801118207.db2.gz USSBOEGOHIHYGC-MRXNPFEDSA-N 0 3 302.374 2.355 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001209184970 801144845 /nfs/dbraw/zinc/14/48/45/801144845.db2.gz VHSYISATWVUDEX-CABCVRRESA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCCCN1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC001209266494 801161949 /nfs/dbraw/zinc/16/19/49/801161949.db2.gz SDNISSNMLOXTCJ-UHFFFAOYSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001209347240 801173052 /nfs/dbraw/zinc/17/30/52/801173052.db2.gz ZTTRYSLAZVDQRT-MRXNPFEDSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(CC)CC ZINC001229346530 801261433 /nfs/dbraw/zinc/26/14/33/801261433.db2.gz GEMUHYGSMPHSIV-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)Cc2ccco2)CC1 ZINC001229584202 801293480 /nfs/dbraw/zinc/29/34/80/801293480.db2.gz VNNWTTYIDIKUMM-HNNXBMFYSA-N 0 3 320.433 2.241 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001209866318 801298164 /nfs/dbraw/zinc/29/81/64/801298164.db2.gz RIEHYTATCNFZDE-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001209867346 801298168 /nfs/dbraw/zinc/29/81/68/801298168.db2.gz YDVCSGAZELRAKR-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001210159473 801343738 /nfs/dbraw/zinc/34/37/38/801343738.db2.gz SXPCKWMYZKSRME-CZUORRHYSA-N 0 3 306.450 2.062 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001210179839 801347559 /nfs/dbraw/zinc/34/75/59/801347559.db2.gz SEDYEZHLPVJDLH-BFYDXBDKSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001210214126 801352729 /nfs/dbraw/zinc/35/27/29/801352729.db2.gz VDIPBRMDGJKPOO-CHWSQXEVSA-N 0 3 316.392 2.061 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CCCn2cccc2)CC1 ZINC001230337675 801389106 /nfs/dbraw/zinc/38/91/06/801389106.db2.gz BMORCJCQWDNWLH-UHFFFAOYSA-N 0 3 319.449 2.052 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001230646680 801449297 /nfs/dbraw/zinc/44/92/97/801449297.db2.gz UJKXJAWCZRQIFT-LSDHHAIUSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnc(C)cn1 ZINC001230646678 801449544 /nfs/dbraw/zinc/44/95/44/801449544.db2.gz UJKXJAWCZRQIFT-GJZGRUSLSA-N 0 3 302.422 2.286 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001230659528 801453487 /nfs/dbraw/zinc/45/34/87/801453487.db2.gz WUPBIXCKDZCUKL-QGZVFWFLSA-N 0 3 319.449 2.437 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001210788315 801464081 /nfs/dbraw/zinc/46/40/81/801464081.db2.gz AWXJPEFTEYSOAX-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CN(C[C@@H]1CCN1CC1CC2(CCC2)C1)C(=O)CSCC#N ZINC001230814911 801502349 /nfs/dbraw/zinc/50/23/49/801502349.db2.gz HZZKYRQDIOIGHJ-HNNXBMFYSA-N 0 3 321.490 2.356 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001211435995 801565387 /nfs/dbraw/zinc/56/53/87/801565387.db2.gz WXLZGVBMPOWESP-KBAYOESNSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccn(CC)c2C)[C@H](OC)C1 ZINC001213322321 801595376 /nfs/dbraw/zinc/59/53/76/801595376.db2.gz GJNINEKEPHAEDH-IAGOWNOFSA-N 0 3 319.449 2.212 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)Cc2cnoc2)[C@H](OC)C1 ZINC001213323613 801595724 /nfs/dbraw/zinc/59/57/24/801595724.db2.gz FCRSKCIWIOJGST-HZPDHXFCSA-N 0 3 323.437 2.003 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001231168992 801597372 /nfs/dbraw/zinc/59/73/72/801597372.db2.gz CMCZXBWYYBLZCS-SJORKVTESA-N 0 3 308.466 2.427 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)[C@H](OC)C1 ZINC001213672051 801633282 /nfs/dbraw/zinc/63/32/82/801633282.db2.gz ZXQYCOSJDLQABT-ARFHVFGLSA-N 0 3 306.450 2.348 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@]3(CCNC3=O)C2)cc1Cl ZINC001232113417 801794850 /nfs/dbraw/zinc/79/48/50/801794850.db2.gz VGGLMJBOXIUWDI-INIZCTEOSA-N 0 3 303.793 2.314 20 30 DEEDHN CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215323084 801834779 /nfs/dbraw/zinc/83/47/79/801834779.db2.gz UKCHDQKILFBHFF-HYVNUMGLSA-N 0 3 302.393 2.223 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H](C)[C@H](NCc3cncn3C)C2)CCC1 ZINC001215478066 801865898 /nfs/dbraw/zinc/86/58/98/801865898.db2.gz AKQOVQVRFNNLJD-GDBMZVCRSA-N 0 3 316.449 2.103 20 30 DEEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCCO3)[C@H]2C1 ZINC001217225364 802060896 /nfs/dbraw/zinc/06/08/96/802060896.db2.gz IQBOLKZGLFZNSO-YESZJQIVSA-N 0 3 324.465 2.047 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)OCC)[C@H]2C1 ZINC001217349882 802071126 /nfs/dbraw/zinc/07/11/26/802071126.db2.gz RIOYIUPUYUXIIS-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN C#C[C@H]1CCCN(Cc2cccn3cc(C(=O)OCC)nc23)C1 ZINC001233459573 802122724 /nfs/dbraw/zinc/12/27/24/802122724.db2.gz OIGMHCJHLQEQQM-AWEZNQCLSA-N 0 3 311.385 2.356 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001233611775 802164388 /nfs/dbraw/zinc/16/43/88/802164388.db2.gz UHXKIJFHZPJKNF-HZPDHXFCSA-N 0 3 323.481 2.016 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001233947024 802249586 /nfs/dbraw/zinc/24/95/86/802249586.db2.gz HNWFDQGQKONMDM-ROUUACIJSA-N 0 3 320.477 2.264 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1C[C@@H](OCC)C1CC1 ZINC001233948141 802249726 /nfs/dbraw/zinc/24/97/26/802249726.db2.gz QTMGAWCEWAALIE-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cnnn1CC ZINC001234058953 802282343 /nfs/dbraw/zinc/28/23/43/802282343.db2.gz KKLHBBUOZXXDNF-HNNXBMFYSA-N 0 3 321.469 2.415 20 30 DEEDHN CCc1cc(NC(=O)[C@@H]2CCC3(CNC3)O2)cc(CC)c1C#N ZINC001219112372 802283587 /nfs/dbraw/zinc/28/35/87/802283587.db2.gz FKLNORWAWQKBJT-INIZCTEOSA-N 0 3 313.401 2.143 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@@H](O)C1 ZINC001219158971 802290749 /nfs/dbraw/zinc/29/07/49/802290749.db2.gz XJHQMAKXNMEQCX-BBWFWOEESA-N 0 3 308.466 2.474 20 30 DEEDHN CN(C[C@H]1CCN1CC[C@@H]1CCCO1)C(=O)C#CC(C)(C)C ZINC001234205218 802326616 /nfs/dbraw/zinc/32/66/16/802326616.db2.gz HRCLOWKCKFFTSO-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CCC ZINC001234246463 802333768 /nfs/dbraw/zinc/33/37/68/802333768.db2.gz OLQHPZGLIBUSEB-QWPQOLDESA-N 0 3 306.450 2.305 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nn(C(C)C)cc1Cl ZINC001220068386 802407848 /nfs/dbraw/zinc/40/78/48/802407848.db2.gz DPEWDRRECKLFNE-UHFFFAOYSA-N 0 3 311.817 2.194 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCC(C)C)C[C@@H]1O ZINC001220146311 802415072 /nfs/dbraw/zinc/41/50/72/802415072.db2.gz CILAHPWLOIOOBF-SJORKVTESA-N 0 3 308.466 2.168 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H](O)C1 ZINC001220224169 802429195 /nfs/dbraw/zinc/42/91/95/802429195.db2.gz BTEKGXZGFKWUMU-MAZHCROVSA-N 0 3 318.417 2.287 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)[C@@H](O)C1 ZINC001220420302 802457328 /nfs/dbraw/zinc/45/73/28/802457328.db2.gz UWNBJELDYRFGIX-NXOAAHMSSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCc2ccccc2C)[C@@H](O)C1 ZINC001220425807 802459190 /nfs/dbraw/zinc/45/91/90/802459190.db2.gz GSBTZTQMIJYFOU-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1C(=O)OCC ZINC001220661136 802483669 /nfs/dbraw/zinc/48/36/69/802483669.db2.gz UDDOCNXTOMBVDN-ILXRZTDVSA-N 0 3 310.438 2.298 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](CC)c2ccccc2)[C@@H](O)C1 ZINC001220749779 802493360 /nfs/dbraw/zinc/49/33/60/802493360.db2.gz XHTFKGPTZXHMAB-JQHSSLGASA-N 0 3 316.445 2.308 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CCCCC)C[C@@H]1O)c1ccccc1 ZINC001221044774 802523561 /nfs/dbraw/zinc/52/35/61/802523561.db2.gz JVWFIESDVMFGIK-KURKYZTESA-N 0 3 316.445 2.308 20 30 DEEDHN CN[C@@H](COCc1ccccc1)C(=O)N[C@@](C)(C#N)CC(C)C ZINC001221292416 802550144 /nfs/dbraw/zinc/55/01/44/802550144.db2.gz LHNCWBHOFWXAPT-FUHWJXTLSA-N 0 3 317.433 2.236 20 30 DEEDHN C#CCCC1(CCNC(=O)[C@@](C)(N)Cc2ccc(F)cc2)N=N1 ZINC001221409496 802567332 /nfs/dbraw/zinc/56/73/32/802567332.db2.gz NVGLTQANNPASQB-INIZCTEOSA-N 0 3 316.380 2.167 20 30 DEEDHN N#Cc1cc(C(=O)N2C[C@H]3CCN(CCCCCF)C[C@H]32)c[nH]1 ZINC001221486969 802581689 /nfs/dbraw/zinc/58/16/89/802581689.db2.gz DZZOUECPDLQRBO-CZUORRHYSA-N 0 3 318.396 2.172 20 30 DEEDHN C#CCC1(C(=O)N2C[C@H]3CCN(C[C@@H](CC)OC)C[C@H]32)CCC1 ZINC001221612126 802596654 /nfs/dbraw/zinc/59/66/54/802596654.db2.gz UUQQEUQZOZHAON-BRWVUGGUSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001222064467 802634854 /nfs/dbraw/zinc/63/48/54/802634854.db2.gz WIJGUBSEGXLQIU-QZTJIDSGSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001222072922 802637566 /nfs/dbraw/zinc/63/75/66/802637566.db2.gz MZBRONKYYFXXFL-NWDGAFQWSA-N 0 3 321.248 2.477 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2CCN(Cc3cccnc3)[C@H]2C1 ZINC001222613973 802717471 /nfs/dbraw/zinc/71/74/71/802717471.db2.gz RHWWWLPYRIUWAU-MSOLQXFVSA-N 0 3 311.429 2.308 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](OCC)C(C)C)C[C@@H]21 ZINC001222892350 802747611 /nfs/dbraw/zinc/74/76/11/802747611.db2.gz MKLNZSSYTOGMFH-FGTMMUONSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C(CO[C@@H]1CCN([C@@H](C)c2ccccn2)C1)C(=O)OCC ZINC001224357896 802860493 /nfs/dbraw/zinc/86/04/93/802860493.db2.gz HAFUREOIBMOWOB-LSDHHAIUSA-N 0 3 304.390 2.353 20 30 DEEDHN Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C#N ZINC001225395788 802960488 /nfs/dbraw/zinc/96/04/88/802960488.db2.gz RUACKYBOHQRQLF-RRFJBIMHSA-N 0 3 300.406 2.067 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2cc(C)ccc2C)CC1 ZINC001225410223 802962048 /nfs/dbraw/zinc/96/20/48/802962048.db2.gz ABQXEGNIUJWPJG-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN COC(=O)c1cc(C#N)ccc1OC1CCN(C2CC2)CC1 ZINC001226304849 803085352 /nfs/dbraw/zinc/08/53/52/803085352.db2.gz GGLNYCZRLWBMGX-UHFFFAOYSA-N 0 3 300.358 2.350 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(C)C ZINC001226523262 803119172 /nfs/dbraw/zinc/11/91/72/803119172.db2.gz SDSMQWZSWXHDAN-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCOCCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001227332699 803231363 /nfs/dbraw/zinc/23/13/63/803231363.db2.gz XKXZQRSZNAOXGX-UHFFFAOYSA-N 0 3 314.429 2.116 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001227342836 803232514 /nfs/dbraw/zinc/23/25/14/803232514.db2.gz ZKAFCQKLISVACJ-AWEZNQCLSA-N 0 3 320.458 2.175 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(C#N)c3C)C[C@H]1N2C ZINC001228028198 803309248 /nfs/dbraw/zinc/30/92/48/803309248.db2.gz WYJMHDKWIDWJTF-LISAXSMJSA-N 0 3 314.385 2.412 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001228413332 803356092 /nfs/dbraw/zinc/35/60/92/803356092.db2.gz IQEXDZYPADXTNV-IIDMSEBBSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228801384 803415104 /nfs/dbraw/zinc/41/51/04/803415104.db2.gz NEYDUDRYHVFXPZ-OAHLLOKOSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001228801818 803415846 /nfs/dbraw/zinc/41/58/46/803415846.db2.gz ZJNYSKVHWKRLEX-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC001331457400 1149462847 /nfs/dbraw/zinc/46/28/47/1149462847.db2.gz FPSHTUFPTMNCFU-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001331457405 1149464671 /nfs/dbraw/zinc/46/46/71/1149464671.db2.gz FPSHTUFPTMNCFU-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ncn2cc(Cl)ccc12 ZINC001331457490 1149465783 /nfs/dbraw/zinc/46/57/83/1149465783.db2.gz ZFHIXCHXLWVFDH-GFCCVEGCSA-N 0 3 318.808 2.061 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccnc(-c2ccco2)c1 ZINC001331475537 1149472864 /nfs/dbraw/zinc/47/28/64/1149472864.db2.gz PLCJKAZSRAMTNA-AWEZNQCLSA-N 0 3 311.385 2.415 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)C(C)(C)C1 ZINC001328101449 1148720253 /nfs/dbraw/zinc/72/02/53/1148720253.db2.gz FWJBGNFARDOEEU-GJZGRUSLSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(OC)nc1 ZINC001331535545 1149517866 /nfs/dbraw/zinc/51/78/66/1149517866.db2.gz UJPGUOKGSJTMBL-ZDUSSCGKSA-N 0 3 305.422 2.239 20 30 DEEDHN CC[C@@H](C)OCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001419656876 1168763449 /nfs/dbraw/zinc/76/34/49/1168763449.db2.gz KKJSXMXWDJJETJ-CHWSQXEVSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@@H](CNC(=O)CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC001419713712 1168815115 /nfs/dbraw/zinc/81/51/15/1168815115.db2.gz ROUUDCKEYSRQCX-VIFPVBQESA-N 0 3 317.286 2.244 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001343293959 1150730593 /nfs/dbraw/zinc/73/05/93/1150730593.db2.gz BFJFYXQJQUZYGI-HZPDHXFCSA-N 0 3 304.390 2.476 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001574963801 1069310242 /nfs/dbraw/zinc/31/02/42/1069310242.db2.gz XLYNVYFLBPLKIX-AWEZNQCLSA-N 0 3 310.401 2.010 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001574963080 1069310506 /nfs/dbraw/zinc/31/05/06/1069310506.db2.gz RLXNTAHKQAEECT-VBNZEHGJSA-N 0 3 320.820 2.369 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC001574971799 1069315593 /nfs/dbraw/zinc/31/55/93/1069315593.db2.gz IQCHAANAXHLVQL-CQSZACIVSA-N 0 3 303.793 2.221 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001344546170 1150829067 /nfs/dbraw/zinc/82/90/67/1150829067.db2.gz FURHOTFJEJVJNP-IXDOHACOSA-N 0 3 323.481 2.001 20 30 DEEDHN C=C[C@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)C(=O)[O-] ZINC001588694649 983898064 /nfs/dbraw/zinc/89/80/64/983898064.db2.gz DMLNUWATEKCGOD-KRWDZBQOSA-N 0 3 318.417 2.136 20 30 DEEDHN Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C#N)C2)cc(Cl)n1 ZINC001522743450 1069451899 /nfs/dbraw/zinc/45/18/99/1069451899.db2.gz CBYCTBBNBVTXAW-DGCLKSJQSA-N 0 3 306.797 2.196 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001523321660 1069628196 /nfs/dbraw/zinc/62/81/96/1069628196.db2.gz GMXGPBPVYOCNPS-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C(=O)[O-] ZINC001602755464 1069744317 /nfs/dbraw/zinc/74/43/17/1069744317.db2.gz VCPQIOZFBRMCMS-ISXOHVOVSA-N 0 3 310.438 2.029 20 30 DEEDHN C=C(C)CCC(=O)NC1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001526320331 1070259357 /nfs/dbraw/zinc/25/93/57/1070259357.db2.gz YNNIVEFFUGARFK-GPANFISMSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCCc2nc(C)no2)[C@H](C)C1 ZINC001328238281 1148749273 /nfs/dbraw/zinc/74/92/73/1148749273.db2.gz DBSQDCGDGCOEQD-UKRRQHHQSA-N 0 3 320.437 2.246 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(CNCc2cncc(F)c2)CCCCC1 ZINC001369048273 1148834255 /nfs/dbraw/zinc/83/42/55/1148834255.db2.gz ROFQHVFHAWCDRF-ZDUSSCGKSA-N 0 3 318.396 2.289 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)COc1ccc(F)cc1 ZINC001328786237 1148834896 /nfs/dbraw/zinc/83/48/96/1148834896.db2.gz NJCUTBIMVKSLJN-HNNXBMFYSA-N 0 3 306.381 2.313 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(CC)C(=O)CN(C)CCC)C1 ZINC001531019487 1071391312 /nfs/dbraw/zinc/39/13/12/1071391312.db2.gz OABQCMLLCJYNNF-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001532013879 1071603145 /nfs/dbraw/zinc/60/31/45/1071603145.db2.gz KFYJQKANSAHWTN-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N([O-])Cc1ccc(F)cc1 ZINC001458018124 1058040786 /nfs/dbraw/zinc/04/07/86/1058040786.db2.gz SWFJKVUILCDTAR-CQSZACIVSA-N 0 3 315.348 2.465 20 30 DEEDHN C=CCN(C)CCN(CC)c1ncc(C(=O)OC)cc1Cl ZINC001458455988 1058063854 /nfs/dbraw/zinc/06/38/54/1058063854.db2.gz KIDSLASLCHAKTK-UHFFFAOYSA-N 0 3 311.813 2.466 20 30 DEEDHN C=CCOCCN1CCC(C)(NC(=O)c2cc(CC)on2)CC1 ZINC001500003057 1058426283 /nfs/dbraw/zinc/42/62/83/1058426283.db2.gz KYVAVHGOCYKKQQ-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@](C)(C=C)CC)C2)CC1 ZINC001500018676 1058433999 /nfs/dbraw/zinc/43/39/99/1058433999.db2.gz MPJAWIXVYDFXBN-FUHWJXTLSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@](C)(C=C)CC)C2)CC1 ZINC001500018677 1058434866 /nfs/dbraw/zinc/43/48/66/1058434866.db2.gz MPJAWIXVYDFXBN-SJLPKXTDSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C1CCN(CCO)CC1 ZINC001500061013 1058459560 /nfs/dbraw/zinc/45/95/60/1058459560.db2.gz XVOGEGZKYDQFAK-SJORKVTESA-N 0 3 320.477 2.121 20 30 DEEDHN CC(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CCCC1 ZINC001500063055 1058460455 /nfs/dbraw/zinc/46/04/55/1058460455.db2.gz HQLSGOZLOIBEME-KRWDZBQOSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2ccc(OC)cc2)C1 ZINC001500287491 1058667828 /nfs/dbraw/zinc/66/78/28/1058667828.db2.gz VJPOAIDZYKWJJN-GOSISDBHSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)COc2ccc(CC)cc2)C1 ZINC001500287522 1058668218 /nfs/dbraw/zinc/66/82/18/1058668218.db2.gz VRWOUTIRGZAARO-IBGZPJMESA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC001500436766 1058781864 /nfs/dbraw/zinc/78/18/64/1058781864.db2.gz XHIZGKAFPTUHIA-UHFFFAOYSA-N 0 3 317.433 2.437 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2csc(C3CC3)n2)CC1 ZINC001500465775 1058808732 /nfs/dbraw/zinc/80/87/32/1058808732.db2.gz HNICXVICZGORNM-UHFFFAOYSA-N 0 3 317.458 2.486 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001467727861 1059691218 /nfs/dbraw/zinc/69/12/18/1059691218.db2.gz SZZRYQMYBKGGJN-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001502102283 1059931978 /nfs/dbraw/zinc/93/19/78/1059931978.db2.gz ULNABUNRUXZALI-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCC=C(Cl)Cl ZINC001502712271 1060240280 /nfs/dbraw/zinc/24/02/80/1060240280.db2.gz LPQQRTAUNKJENE-JQWIXIFHSA-N 0 3 301.217 2.155 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@]1(C)CCC[C@H]1C ZINC001327259143 1148504789 /nfs/dbraw/zinc/50/47/89/1148504789.db2.gz ZYRSNNYRMVSUNW-SJLPKXTDSA-N 0 3 308.466 2.243 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccccc2)C(C)(C)C1 ZINC001502836341 1060344453 /nfs/dbraw/zinc/34/44/53/1060344453.db2.gz ODFDHQCKQGZDBC-INIZCTEOSA-N 0 3 302.418 2.468 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CN(CCC(=C)C)C2)CC1 ZINC001502845649 1060354807 /nfs/dbraw/zinc/35/48/07/1060354807.db2.gz NKZDBTLLVFPQJZ-KRWDZBQOSA-N 0 3 319.493 2.383 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1Cc1ccc(C#N)cc1 ZINC001502922064 1060394183 /nfs/dbraw/zinc/39/41/83/1060394183.db2.gz FJRFUOOVWABDRD-KXBFYZLASA-N 0 3 321.424 2.441 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001502933157 1060398787 /nfs/dbraw/zinc/39/87/87/1060398787.db2.gz JMTHZFIGANMTCT-KGLIPLIRSA-N 0 3 313.873 2.192 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)CCCC1CC1)CCO2 ZINC001503700588 1060459910 /nfs/dbraw/zinc/45/99/10/1060459910.db2.gz LOBICDMRWIUXPI-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)CCOCC)CC2)C1 ZINC001503723330 1060462128 /nfs/dbraw/zinc/46/21/28/1060462128.db2.gz ISUPBZVNIXYEDC-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001505416837 1060552723 /nfs/dbraw/zinc/55/27/23/1060552723.db2.gz ZDKGVXQTQQFVFW-MORSLUCNSA-N 0 3 324.428 2.146 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC001505437469 1060597105 /nfs/dbraw/zinc/59/71/05/1060597105.db2.gz SCDVGLMOBAQBKN-ZDUSSCGKSA-N 0 3 302.422 2.011 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@@H](C)NC(=O)C(F)F ZINC001505540766 1060689651 /nfs/dbraw/zinc/68/96/51/1060689651.db2.gz HIICPABAWMRASM-GHMZBOCLSA-N 0 3 314.763 2.439 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)COC(C)(C)C ZINC001505588164 1060745521 /nfs/dbraw/zinc/74/55/21/1060745521.db2.gz HOTQTWPNJLQFGV-CVEARBPZSA-N 0 3 316.445 2.336 20 30 DEEDHN Cc1c(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)ccn1C ZINC001505996970 1061238099 /nfs/dbraw/zinc/23/80/99/1061238099.db2.gz SAFCCLSBDPFIDC-CQSZACIVSA-N 0 3 324.428 2.456 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001479679526 1061588675 /nfs/dbraw/zinc/58/86/75/1061588675.db2.gz MDBGRWDXIQUIFH-JKSUJKDBSA-N 0 3 310.482 2.345 20 30 DEEDHN CN(CCCNC(=O)C1(C)CC1)Cc1ccc(C#N)c(F)c1 ZINC001479771214 1061722464 /nfs/dbraw/zinc/72/24/64/1061722464.db2.gz IRSUEVRPXXTPBD-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cnc(C)n1C ZINC001479831702 1061860343 /nfs/dbraw/zinc/86/03/43/1061860343.db2.gz UFZCTDIICAEOTO-GXTWGEPZSA-N 0 3 324.856 2.454 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001479953222 1062101446 /nfs/dbraw/zinc/10/14/46/1062101446.db2.gz GMSLLCNRSNIAPC-AWEZNQCLSA-N 0 3 318.421 2.036 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001506629925 1062211596 /nfs/dbraw/zinc/21/15/96/1062211596.db2.gz DADOAXUOTNNOAN-STQMWFEESA-N 0 3 317.433 2.245 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](N[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001480050058 1062242116 /nfs/dbraw/zinc/24/21/16/1062242116.db2.gz GDIBHEWPXKGFCW-SMDDNHRTSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCC(=O)N(CCC)CCC)C1 ZINC001480114865 1062342980 /nfs/dbraw/zinc/34/29/80/1062342980.db2.gz RUSHJAFDRARMHS-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H](OCC)C2CCCC2)C(C)(C)C1 ZINC001506743858 1062348859 /nfs/dbraw/zinc/34/88/59/1062348859.db2.gz HJQVGDXOGXGARG-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001480152051 1062397107 /nfs/dbraw/zinc/39/71/07/1062397107.db2.gz LSVVFYSHXLENMC-WKILWMFISA-N 0 3 314.433 2.106 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001480154693 1062399338 /nfs/dbraw/zinc/39/93/38/1062399338.db2.gz UKPFFJTWKCMEQV-AVGNSLFASA-N 0 3 305.426 2.021 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H]([C@H](C)NCc2ccccn2)C1 ZINC001506835102 1062418427 /nfs/dbraw/zinc/41/84/27/1062418427.db2.gz NQBAHIWNSAGOOK-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001506900374 1062489400 /nfs/dbraw/zinc/48/94/00/1062489400.db2.gz AXKARRROOBWKAF-FQUUOJAGSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001506900373 1062490050 /nfs/dbraw/zinc/49/00/50/1062490050.db2.gz AXKARRROOBWKAF-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C)CC(=O)N(C)C(C)C)CC1 ZINC001506960708 1062600115 /nfs/dbraw/zinc/60/01/15/1062600115.db2.gz LLGBHZAHGFNNMF-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1nc(CN[C@H](CCNC(=O)[C@@H](C)C#N)C(C)C)cs1 ZINC001506982490 1062630865 /nfs/dbraw/zinc/63/08/65/1062630865.db2.gz VVTJDFRFIGMVNG-SMDDNHRTSA-N 0 3 308.451 2.232 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H]1CCCCN1CC1CC(F)(F)C1 ZINC001480318157 1062640846 /nfs/dbraw/zinc/64/08/46/1062640846.db2.gz QCYXLAVWUDCCJF-HNNXBMFYSA-N 0 3 310.388 2.416 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1CCn1cccn1 ZINC001480324803 1062652150 /nfs/dbraw/zinc/65/21/50/1062652150.db2.gz POZIGYJXRMEEMU-SJORKVTESA-N 0 3 318.465 2.456 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CN[C@H](C)C(=O)NCCC ZINC001480357758 1062707033 /nfs/dbraw/zinc/70/70/33/1062707033.db2.gz YIVSAGCSKDQILI-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC[C@H](F)CC)nc1 ZINC001480364913 1062718918 /nfs/dbraw/zinc/71/89/18/1062718918.db2.gz JGKHTGWWELFQOW-CVEARBPZSA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001507070184 1062776499 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312.398 2.091 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)C1(C)CCCCCC1 ZINC001568863718 1065164641 /nfs/dbraw/zinc/16/46/41/1065164641.db2.gz JBZQSDKZJRMGKE-FPLPWBNLSA-N 0 3 306.450 2.259 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1sccc1C1CC1 ZINC001568960200 1065214075 /nfs/dbraw/zinc/21/40/75/1065214075.db2.gz GXDULFABSCOELB-IHWYPQMZSA-N 0 3 318.442 2.151 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CC1=CCCCC1 ZINC001496021289 1065231703 /nfs/dbraw/zinc/23/17/03/1065231703.db2.gz XBSSQANCIPIENM-CABCVRRESA-N 0 3 321.465 2.004 20 30 DEEDHN CC[C@H](SC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001569052114 1065259958 /nfs/dbraw/zinc/25/99/58/1065259958.db2.gz JHDAGQSBPSOCHE-HOCLYGCPSA-N 0 3 304.459 2.274 20 30 DEEDHN CC[C@H](CC(=O)N[C@@H](C)CNCC#CCOC)c1ccccc1 ZINC001569090893 1065279818 /nfs/dbraw/zinc/27/98/18/1065279818.db2.gz ZOPZFQCWJAWCTN-DLBZAZTESA-N 0 3 316.445 2.314 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(F)cc1C ZINC001569115668 1065295640 /nfs/dbraw/zinc/29/56/40/1065295640.db2.gz 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C#CCCN(C)CCN(C)C(=O)C(C)(C)c1cccc(OC)c1 ZINC001496816143 1065731400 /nfs/dbraw/zinc/73/14/00/1065731400.db2.gz CZATYFYTOFSWPX-UHFFFAOYSA-N 0 3 316.445 2.386 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)c(Cl)c1N ZINC001569840376 1065758501 /nfs/dbraw/zinc/75/85/01/1065758501.db2.gz ZQVQYIWFEHCINH-UHFFFAOYSA-N 0 3 314.216 2.261 20 30 DEEDHN C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001496888925 1065780535 /nfs/dbraw/zinc/78/05/35/1065780535.db2.gz RBCZDSPMUIXPRU-JSGCOSHPSA-N 0 3 313.405 2.022 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cncnc2)cc1 ZINC001570030571 1065894093 /nfs/dbraw/zinc/89/40/93/1065894093.db2.gz WYYCFNRLOAMSGX-AWEZNQCLSA-N 0 3 308.385 2.081 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N2CCN(CCCC)CC2)C1 ZINC001570167789 1065946820 /nfs/dbraw/zinc/94/68/20/1065946820.db2.gz WYJHRBJTRXSTRM-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc2cnccc2c1 ZINC001570202814 1065972849 /nfs/dbraw/zinc/97/28/49/1065972849.db2.gz JTPWDWPOLKTSLF-UHFFFAOYSA-N 0 3 310.401 2.047 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CCc1ccccc1OC ZINC001570216802 1065977131 /nfs/dbraw/zinc/97/71/31/1065977131.db2.gz KMKJVHYQFSUBDV-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2cc(OC)ns2)C1 ZINC001570352283 1066028921 /nfs/dbraw/zinc/02/89/21/1066028921.db2.gz UIZMPEIAAYZNAR-GXTWGEPZSA-N 0 3 323.462 2.445 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1cccnc1 ZINC001497342432 1066037907 /nfs/dbraw/zinc/03/79/07/1066037907.db2.gz XIECGDAJIAXBHU-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC(C)(C)COC)C(C)(C)C1 ZINC001570395956 1066051595 /nfs/dbraw/zinc/05/15/95/1066051595.db2.gz UJXFGALLSJZFDO-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCOc1ccccc1CNC(=O)C1(N(C)C)CCCC1 ZINC001628085802 1078289483 /nfs/dbraw/zinc/28/94/83/1078289483.db2.gz BQPIRRSQPRLUFC-UHFFFAOYSA-N 0 3 300.402 2.189 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCCC2CCOCC2)C[C@@H]1C ZINC001570438292 1066070815 /nfs/dbraw/zinc/07/08/15/1066070815.db2.gz 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C[C@@H](CN(C)CCOCC(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001498275633 1066609917 /nfs/dbraw/zinc/60/99/17/1066609917.db2.gz GTRAHTSSZMLADQ-LBPRGKRZSA-N 0 3 322.371 2.051 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCNCc1cccc(Cl)n1 ZINC001498546384 1066772982 /nfs/dbraw/zinc/77/29/82/1066772982.db2.gz VLRDHYSJJIIDRZ-UHFFFAOYSA-N 0 3 307.825 2.333 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001498552782 1066775424 /nfs/dbraw/zinc/77/54/24/1066775424.db2.gz AEEHHCMUDDCDMF-UHFFFAOYSA-N 0 3 310.829 2.102 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCc1cnc(C)cn1 ZINC001498606528 1066799399 /nfs/dbraw/zinc/79/93/99/1066799399.db2.gz LLLCWXXYDANBPN-KRWDZBQOSA-N 0 3 304.438 2.325 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](CNCC#Cc2ccccc2)C2CC2)co1 ZINC001498752261 1066867707 /nfs/dbraw/zinc/86/77/07/1066867707.db2.gz MSKXZSFXSMLTCZ-KRWDZBQOSA-N 0 3 323.396 2.133 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001634646290 1078434975 /nfs/dbraw/zinc/43/49/75/1078434975.db2.gz LMWQNXNPAKVQCW-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001635753043 1078457629 /nfs/dbraw/zinc/45/76/29/1078457629.db2.gz DNPMRVYXALQIAN-UHFFFAOYSA-N 0 3 305.378 2.483 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1sc(COC)nc1C ZINC001635758002 1078457964 /nfs/dbraw/zinc/45/79/64/1078457964.db2.gz UETRBJQCWGJBID-UHFFFAOYSA-N 0 3 311.451 2.178 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1COc2ccccc2C1 ZINC001635753137 1078457967 /nfs/dbraw/zinc/45/79/67/1078457967.db2.gz ILLQXKZVHSLZMS-MRXNPFEDSA-N 0 3 302.418 2.204 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H]2COc3cc(C)c(C)cc32)CC1 ZINC001499301100 1067174302 /nfs/dbraw/zinc/17/43/02/1067174302.db2.gz AKRCPBASZVBOFO-INIZCTEOSA-N 0 3 312.413 2.041 20 30 DEEDHN COC(=O)c1cc(C)cc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC001578853046 1067181890 /nfs/dbraw/zinc/18/18/90/1067181890.db2.gz KGDHRWGGPFCKJU-CQSZACIVSA-N 0 3 303.362 2.131 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc3cccc(OC)c3o2)CC1 ZINC001499335750 1067186562 /nfs/dbraw/zinc/18/65/62/1067186562.db2.gz YHESAAOBTCYPEW-UHFFFAOYSA-N 0 3 312.369 2.317 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)C[C@@H](O)c1ccccc1 ZINC001483372104 1078489033 /nfs/dbraw/zinc/48/90/33/1078489033.db2.gz AYUAMIYQSJAFJB-GDBMZVCRSA-N 0 3 304.434 2.369 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](CC)c2ccc(OC)cc2)CC1 ZINC001499461436 1067228563 /nfs/dbraw/zinc/22/85/63/1067228563.db2.gz IWSAVBINFLFJBF-MRXNPFEDSA-N 0 3 300.402 2.060 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CC)OCC)C2)C1 ZINC001499566905 1067261169 /nfs/dbraw/zinc/26/11/69/1067261169.db2.gz IYCFACCQUZZVEZ-SJLPKXTDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)OCCCC)C2)CC1 ZINC001499578472 1067265496 /nfs/dbraw/zinc/26/54/96/1067265496.db2.gz OWZYHTKVARQPCZ-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001499812889 1067341430 /nfs/dbraw/zinc/34/14/30/1067341430.db2.gz GHVLLZKDIDEUFU-HUUCEWRRSA-N 0 3 318.417 2.178 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cnn(CCC(C)C)c1C ZINC001483406273 1078513089 /nfs/dbraw/zinc/51/30/89/1078513089.db2.gz VWPGIRUUGVASRD-AWEZNQCLSA-N 0 3 306.454 2.474 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001267054902 1078531433 /nfs/dbraw/zinc/53/14/33/1078531433.db2.gz HHAIHXRTZYTNQO-CVEARBPZSA-N 0 3 316.449 2.325 20 30 DEEDHN N#Cc1ccc(CNC(=O)Nc2ccnc([C@H]3CCCN3)n2)cc1 ZINC001580065293 1067487032 /nfs/dbraw/zinc/48/70/32/1067487032.db2.gz CYDWALFQXREVIC-CQSZACIVSA-N 0 3 322.372 2.094 20 30 DEEDHN N[C@H](CC1CC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001580122274 1067502380 /nfs/dbraw/zinc/50/23/80/1067502380.db2.gz QOTHTRNQLOUCAO-CQSZACIVSA-N 0 3 310.319 2.301 20 30 DEEDHN N#CCSCC(=O)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001483544574 1078589064 /nfs/dbraw/zinc/58/90/64/1078589064.db2.gz ADMKWWBEVPUIMX-HNNXBMFYSA-N 0 3 321.421 2.067 20 30 DEEDHN CC1(C(=O)N[C@@H](CNCc2ccc(C#N)s2)C2CC2)CC1 ZINC001483566122 1078601538 /nfs/dbraw/zinc/60/15/38/1078601538.db2.gz ZISOIRWBEBPGBA-AWEZNQCLSA-N 0 3 303.431 2.404 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](CNCc2cccnc2)C2CC2)cc1 ZINC001483578550 1078608714 /nfs/dbraw/zinc/60/87/14/1078608714.db2.gz IJBQKYCBFQHIQJ-IBGZPJMESA-N 0 3 319.408 2.361 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1ccc(C)cc1 ZINC001570545026 1067996474 /nfs/dbraw/zinc/99/64/74/1067996474.db2.gz JTBOYYRJDBETJO-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CCNC(=O)C1CCCCC1 ZINC001640015990 1078637975 /nfs/dbraw/zinc/63/79/75/1078637975.db2.gz LWQDBUPCXCTVCN-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@]1(F)CCOC1 ZINC001267175956 1078638866 /nfs/dbraw/zinc/63/88/66/1078638866.db2.gz WHBDLSARTSBPQR-UKRRQHHQSA-N 0 3 318.820 2.228 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1coc(C(C)(C)C)n1 ZINC001570710512 1068085733 /nfs/dbraw/zinc/08/57/33/1068085733.db2.gz JLBLUZBHAHKXJA-ZDUSSCGKSA-N 0 3 323.437 2.225 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](OCC)C(C)C ZINC001570823358 1068131084 /nfs/dbraw/zinc/13/10/84/1068131084.db2.gz WYSNLQYLQBOYMR-DLBZAZTESA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001570848233 1068138972 /nfs/dbraw/zinc/13/89/72/1068138972.db2.gz ULLXDHQSNUYSCT-OAHLLOKOSA-N 0 3 314.429 2.006 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2csc(C)n2)C(C)(C)C1 ZINC001570905081 1068156460 /nfs/dbraw/zinc/15/64/60/1068156460.db2.gz MUNIEHRHTKTXIC-AWEZNQCLSA-N 0 3 307.463 2.397 20 30 DEEDHN CCCC(=O)N1CCO[C@H]([C@@H](C)NCC#Cc2ccccc2)C1 ZINC001570965591 1068167400 /nfs/dbraw/zinc/16/74/00/1068167400.db2.gz OESIQOAIWIVYJI-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001511153537 1068217454 /nfs/dbraw/zinc/21/74/54/1068217454.db2.gz HLWDNFQDFQKZLV-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1conc1CN[C@H](CCNC(=O)C#CC1CC1)C(C)C ZINC001571349602 1068240004 /nfs/dbraw/zinc/24/00/04/1068240004.db2.gz VFOCBLDMHWHJMD-OAHLLOKOSA-N 0 3 303.406 2.017 20 30 DEEDHN CCCOCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001571378652 1068260457 /nfs/dbraw/zinc/26/04/57/1068260457.db2.gz IKPRQSHKQYWAEU-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CC1(CC(=O)N(C)C[C@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001571409315 1068281113 /nfs/dbraw/zinc/28/11/13/1068281113.db2.gz KBRNTTQHHOYLSQ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001571480180 1068335700 /nfs/dbraw/zinc/33/57/00/1068335700.db2.gz ANLIQYROTGZRDW-HUUCEWRRSA-N 0 3 324.428 2.098 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001571483277 1068339288 /nfs/dbraw/zinc/33/92/88/1068339288.db2.gz OYLAAZDFMISCAI-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN CC1(C)CN(C(=O)C(F)F)C[C@@H]1NCC#Cc1ccc(F)cc1 ZINC001571551608 1068415501 /nfs/dbraw/zinc/41/55/01/1068415501.db2.gz GAMVPPXTPZGCHD-AWEZNQCLSA-N 0 3 324.346 2.269 20 30 DEEDHN C#CCCN(C)CCN(C(=O)Cc1ccccc1C#C)C(C)C ZINC001571616115 1068441255 /nfs/dbraw/zinc/44/12/55/1068441255.db2.gz QYNLDCXTMNHGIP-UHFFFAOYSA-N 0 3 310.441 2.403 20 30 DEEDHN C=CCCC(=O)NC1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001511989689 1068448581 /nfs/dbraw/zinc/44/85/81/1068448581.db2.gz WSNZXLBOSKAGDB-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC001571658258 1068465422 /nfs/dbraw/zinc/46/54/22/1068465422.db2.gz QEOWYEFPNXJHDR-UHFFFAOYSA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2ccoc2Cl)CC1 ZINC001571686482 1068479802 /nfs/dbraw/zinc/47/98/02/1068479802.db2.gz YCUHERQFZSPUOW-UHFFFAOYSA-N 0 3 324.808 2.498 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CCN1CCC1CCOCC1 ZINC001483643049 1078735655 /nfs/dbraw/zinc/73/56/55/1078735655.db2.gz PPEFAWSRSIYPNP-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cncc(COC)c1 ZINC001483658703 1078759117 /nfs/dbraw/zinc/75/91/17/1078759117.db2.gz PAOQAPFJJRDWDL-RHSMWYFYSA-N 0 3 317.433 2.387 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(F)cc2cccnc21 ZINC001267318132 1078761783 /nfs/dbraw/zinc/76/17/83/1078761783.db2.gz RXJDISUWXLYQAB-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc(C2CC2)s1 ZINC001267319058 1078762172 /nfs/dbraw/zinc/76/21/72/1078762172.db2.gz DIZPGRIOGLIGKW-UHFFFAOYSA-N 0 3 305.447 2.486 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC001642917628 1078777245 /nfs/dbraw/zinc/77/72/45/1078777245.db2.gz GPSRSGUNRDJPRN-MRXNPFEDSA-N 0 3 309.498 2.463 20 30 DEEDHN COc1cc(CNCCN(C)C(=O)[C@@H](C)C#N)ccc1Cl ZINC001267355210 1078788239 /nfs/dbraw/zinc/78/82/39/1078788239.db2.gz KZWMYPJHSUJWOS-NSHDSACASA-N 0 3 309.797 2.056 20 30 DEEDHN C=CCN[C@@H](CNC(=O)CC[C@H]1CCOC1)c1ccccc1 ZINC001267358171 1078790754 /nfs/dbraw/zinc/79/07/54/1078790754.db2.gz XRINGPJVMWDUQA-RDJZCZTQSA-N 0 3 302.418 2.436 20 30 DEEDHN N#Cc1cccc(CC(=O)N2CC3(C2)CN(C2CCCC2)C3)c1 ZINC001272307220 1078797030 /nfs/dbraw/zinc/79/70/30/1078797030.db2.gz UCGCYOCHPCTBFJ-UHFFFAOYSA-N 0 3 309.413 2.188 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCCOC1CCOCC1 ZINC001517046339 1068950591 /nfs/dbraw/zinc/95/05/91/1068950591.db2.gz NADOXNMCVPPVBS-AWEZNQCLSA-N 0 3 305.378 2.055 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001483703220 1078823288 /nfs/dbraw/zinc/82/32/88/1078823288.db2.gz SXLZEPPBDRBPCM-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC001518425482 1069003110 /nfs/dbraw/zinc/00/31/10/1069003110.db2.gz GVNWZBYDINCUMM-BPNCWPANSA-N 0 3 320.776 2.090 20 30 DEEDHN C=CC[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccncc1 ZINC001518995590 1069026919 /nfs/dbraw/zinc/02/69/19/1069026919.db2.gz FBELQQDIHVMVAA-HZPDHXFCSA-N 0 3 302.422 2.482 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)CC1 ZINC001520435376 1069138008 /nfs/dbraw/zinc/13/80/08/1069138008.db2.gz XBWAIDPHFZXWNC-IRXDYDNUSA-N 0 3 306.450 2.227 20 30 DEEDHN C=CCC1(O)CN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001520671705 1069166161 /nfs/dbraw/zinc/16/61/61/1069166161.db2.gz PNCBFWBGAMOGPU-UHFFFAOYSA-N 0 3 314.429 2.436 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC001574504767 1069232498 /nfs/dbraw/zinc/23/24/98/1069232498.db2.gz NCQCCLKWULNCQF-TZMCWYRMSA-N 0 3 305.809 2.305 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC001574856657 1069278867 /nfs/dbraw/zinc/27/88/67/1069278867.db2.gz DRHJGEWPNHATRU-GFCCVEGCSA-N 0 3 308.744 2.420 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001574903420 1069293397 /nfs/dbraw/zinc/29/33/97/1069293397.db2.gz QIEWUUNZPORADQ-CQSZACIVSA-N 0 3 322.840 2.067 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC001574908452 1069294064 /nfs/dbraw/zinc/29/40/64/1069294064.db2.gz OKYFYSZEMPZUGH-SNVBAGLBSA-N 0 3 317.311 2.033 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC001522046283 1069298576 /nfs/dbraw/zinc/29/85/76/1069298576.db2.gz VODYRYPSJDXKJB-IAGOWNOFSA-N 0 3 301.434 2.407 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001483730691 1078896365 /nfs/dbraw/zinc/89/63/65/1078896365.db2.gz UURFETIDBVNMIT-GUYCJALGSA-N 0 3 320.408 2.452 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c(Cl)n1 ZINC001543695552 1072503806 /nfs/dbraw/zinc/50/38/06/1072503806.db2.gz ISPYFRHAPDGZCO-OLZOCXBDSA-N 0 3 318.808 2.305 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ccnc(F)c1)c1ccccc1 ZINC001267516307 1078945628 /nfs/dbraw/zinc/94/56/28/1078945628.db2.gz BQXAGPITYVCMDZ-MRXNPFEDSA-N 0 3 311.360 2.305 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)c2cccc(OC)c2)CCC1 ZINC001280545396 1078954018 /nfs/dbraw/zinc/95/40/18/1078954018.db2.gz NHUQFCUGJDCQKL-AWEZNQCLSA-N 0 3 300.402 2.060 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2cncnc2)C1 ZINC001267543756 1078973912 /nfs/dbraw/zinc/97/39/12/1078973912.db2.gz KFKZADJFMVSIQS-KRWDZBQOSA-N 0 3 316.449 2.298 20 30 DEEDHN COCC#CCNC1(CNC(=O)C(C)(C)C2CCCC2)CC1 ZINC001483741550 1078975686 /nfs/dbraw/zinc/97/56/86/1078975686.db2.gz XKURVOHBEIITTE-UHFFFAOYSA-N 0 3 306.450 2.091 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC001483743223 1078979732 /nfs/dbraw/zinc/97/97/32/1078979732.db2.gz QXFHQAYLPLSCAO-VXGBXAGGSA-N 0 3 302.340 2.227 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)c2ccccc2C)C1 ZINC001267550677 1078981847 /nfs/dbraw/zinc/98/18/47/1078981847.db2.gz YVSJKCISAQLCQK-QGZVFWFLSA-N 0 3 314.429 2.087 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H]1CCN(Cc2ocnc2C)C1 ZINC001267556575 1078987878 /nfs/dbraw/zinc/98/78/78/1078987878.db2.gz QWPWJLJGJKKXIW-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCCN1CCc1ccccc1F ZINC001481030206 1079088936 /nfs/dbraw/zinc/08/89/36/1079088936.db2.gz CYMWVROQHBBNNN-INIZCTEOSA-N 0 3 320.408 2.151 20 30 DEEDHN CC#CCNC1(CNC(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC001670889403 1079089272 /nfs/dbraw/zinc/08/92/72/1079089272.db2.gz FNMKTDZODZNMLT-UHFFFAOYSA-N 0 3 302.393 2.365 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@@H](C)CCCCC)CCO1 ZINC001649461394 1079129197 /nfs/dbraw/zinc/12/91/97/1079129197.db2.gz XQKIOTTZALQNCX-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCc2ccc(OCC)cc2)C1 ZINC001481100777 1079183874 /nfs/dbraw/zinc/18/38/74/1079183874.db2.gz YPGZVRSUWHUSGF-KRWDZBQOSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001481112160 1079196224 /nfs/dbraw/zinc/19/62/24/1079196224.db2.gz HKNUOMQIPQCLIX-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2cc(C)cs2)CC1 ZINC001267607636 1079197980 /nfs/dbraw/zinc/19/79/80/1079197980.db2.gz OVBKCRWNPMDYRM-UHFFFAOYSA-N 0 3 321.490 2.322 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001481113898 1079198273 /nfs/dbraw/zinc/19/82/73/1079198273.db2.gz BGQPJRSJLPRTMM-OAHLLOKOSA-N 0 3 309.413 2.090 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001483946174 1079201589 /nfs/dbraw/zinc/20/15/89/1079201589.db2.gz NIWRHJGDUZYYES-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001483945553 1079201660 /nfs/dbraw/zinc/20/16/60/1079201660.db2.gz AOIIVIMWOMOTKH-KBPBESRZSA-N 0 3 310.829 2.167 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2CNC[C@@H](F)CC)cn1 ZINC001483951836 1079207656 /nfs/dbraw/zinc/20/76/56/1079207656.db2.gz MJDMSKBODVTWOR-HOCLYGCPSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@H](C)CCC)C2)CC1 ZINC001483975534 1079221435 /nfs/dbraw/zinc/22/14/35/1079221435.db2.gz DFKKCXZLOWQYDN-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001481125201 1079222282 /nfs/dbraw/zinc/22/22/82/1079222282.db2.gz BPLIHSMGADOURC-INIZCTEOSA-N 0 3 320.408 2.357 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001481123944 1079223266 /nfs/dbraw/zinc/22/32/66/1079223266.db2.gz MBOCGGNZNNYLIN-GJZGRUSLSA-N 0 3 302.393 2.391 20 30 DEEDHN CCCN(CCNC(=O)C#CC(C)C)CCc1csc(C)n1 ZINC001481135051 1079239687 /nfs/dbraw/zinc/23/96/87/1079239687.db2.gz GEHUQOASESBXPL-UHFFFAOYSA-N 0 3 321.490 2.482 20 30 DEEDHN CCCN(CCNC(=O)c1cnco1)Cc1cccc(C#N)c1 ZINC001481143154 1079249468 /nfs/dbraw/zinc/24/94/68/1079249468.db2.gz LJZMLOGBLLHZKF-UHFFFAOYSA-N 0 3 312.373 2.188 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1nc2cnccc2s1 ZINC001481141926 1079249528 /nfs/dbraw/zinc/24/95/28/1079249528.db2.gz MRKDAKKTRHVUSJ-UHFFFAOYSA-N 0 3 316.430 2.156 20 30 DEEDHN N#CC[C@]1(O)CCN(CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001649846978 1079261514 /nfs/dbraw/zinc/26/15/14/1079261514.db2.gz MCEVLBGAMHEOGU-AWEZNQCLSA-N 0 3 314.307 2.478 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)Cc2cccc(F)c2)C1 ZINC001484068251 1079281947 /nfs/dbraw/zinc/28/19/47/1079281947.db2.gz AYDACNOOHHYPNA-GOSISDBHSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C(Cl)CNC[C@]1(C)CCN(C(=O)CCCC(C)=O)C1 ZINC001484079732 1079293985 /nfs/dbraw/zinc/29/39/85/1079293985.db2.gz AVEGVTMYJCACGQ-HNNXBMFYSA-N 0 3 300.830 2.326 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OC)c(OC)c1C ZINC001646803699 1074626005 /nfs/dbraw/zinc/62/60/05/1074626005.db2.gz BRFDOBQQOZXMJX-LBPRGKRZSA-N 0 3 312.797 2.098 20 30 DEEDHN CCOCCN1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267634928 1079323129 /nfs/dbraw/zinc/32/31/29/1079323129.db2.gz VUXWGXWOMDKYQC-SFHVURJKSA-N 0 3 314.429 2.045 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(Cl)n(C)n2)C1 ZINC001484163402 1079337339 /nfs/dbraw/zinc/33/73/39/1079337339.db2.gz QOQKBHHCVXYCBE-OAHLLOKOSA-N 0 3 310.829 2.091 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001484172408 1079337988 /nfs/dbraw/zinc/33/79/88/1079337988.db2.gz HFNSVFIOSVLLDC-WMZOPIPTSA-N 0 3 316.449 2.076 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001484165155 1079339433 /nfs/dbraw/zinc/33/94/33/1079339433.db2.gz NHZYJDGSMWPHGY-QAPCUYQASA-N 0 3 318.465 2.318 20 30 DEEDHN N#Cc1cncc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC001647453909 1074932290 /nfs/dbraw/zinc/93/22/90/1074932290.db2.gz YJRFIPNINLAUHP-OAHLLOKOSA-N 0 3 308.389 2.328 20 30 DEEDHN C=CCC[C@H](C(=O)N1CC(N[C@@H]2CCOC2)C1)c1ccccc1 ZINC001647773025 1074981210 /nfs/dbraw/zinc/98/12/10/1074981210.db2.gz LGECEAOJCDHTNL-AEFFLSMTSA-N 0 3 314.429 2.326 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN(CC#CC)C1 ZINC001566874739 1075004743 /nfs/dbraw/zinc/00/47/43/1075004743.db2.gz HCWYZOBNDRZNKU-SJLPKXTDSA-N 0 3 306.450 2.067 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001556466212 1075032266 /nfs/dbraw/zinc/03/22/66/1075032266.db2.gz NLJHMLYXTCLIAM-HNNXBMFYSA-N 0 3 315.417 2.079 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001556466622 1075032610 /nfs/dbraw/zinc/03/26/10/1075032610.db2.gz GOIPPKDDJJYDJI-CQSZACIVSA-N 0 3 304.438 2.045 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001558053159 1075080320 /nfs/dbraw/zinc/08/03/20/1075080320.db2.gz ZRHPYXVOXQBTNN-IEBWSBKVSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001566034183 1075159795 /nfs/dbraw/zinc/15/97/95/1075159795.db2.gz LKXMUCLYMUNGIO-OLZOCXBDSA-N 0 3 322.371 2.046 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)COC(C)C)C1 ZINC001565880910 1075202386 /nfs/dbraw/zinc/20/23/86/1075202386.db2.gz HRFZLYOPJVNHGA-ZWKOTPCHSA-N 0 3 314.429 2.019 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3(OC)CCC3)C2)CC1 ZINC001565923193 1075206334 /nfs/dbraw/zinc/20/63/34/1075206334.db2.gz WKLMOPCGPGHDKG-INIZCTEOSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H](CN(C)CCF)C2)cc1 ZINC001267690015 1079376793 /nfs/dbraw/zinc/37/67/93/1079376793.db2.gz KQJUGFAPSBPBHH-HNNXBMFYSA-N 0 3 318.392 2.062 20 30 DEEDHN CC[C@@H](CC(F)(F)F)C(=O)NCCCN(C)CC#CCOC ZINC001566508835 1075265691 /nfs/dbraw/zinc/26/56/91/1075265691.db2.gz QZSKRKPLVLYKJS-ZDUSSCGKSA-N 0 3 322.371 2.053 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001566469282 1075252027 /nfs/dbraw/zinc/25/20/27/1075252027.db2.gz XRVJANHVBJVLBU-OAHLLOKOSA-N 0 3 316.449 2.238 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C1CCCCCCC1 ZINC001566473165 1075253464 /nfs/dbraw/zinc/25/34/64/1075253464.db2.gz FEYQTPBZXQRBLR-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001267692334 1079379502 /nfs/dbraw/zinc/37/95/02/1079379502.db2.gz CATWXYGRTHDDOM-HNNXBMFYSA-N 0 3 316.420 2.466 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc2ccccc2n1)C1CC1 ZINC001566602051 1075294529 /nfs/dbraw/zinc/29/45/29/1075294529.db2.gz JMUNEXLOCNYHGK-UHFFFAOYSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H](C)Oc1ccc(C)cc1)C1CC1 ZINC001566602978 1075295211 /nfs/dbraw/zinc/29/52/11/1075295211.db2.gz VLCOHPPQUQDQCB-INIZCTEOSA-N 0 3 314.429 2.366 20 30 DEEDHN CC#CCN(CCCNC(=O)CC[C@@H]1CC[C@H](C)O1)C1CC1 ZINC001566603793 1075295299 /nfs/dbraw/zinc/29/52/99/1075295299.db2.gz DCHYWWBZBLLHGJ-RDJZCZTQSA-N 0 3 306.450 2.328 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001566663037 1075308737 /nfs/dbraw/zinc/30/87/37/1075308737.db2.gz LXUYTDNQSNGZMB-SFHVURJKSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001566672262 1075311896 /nfs/dbraw/zinc/31/18/96/1075311896.db2.gz JSQLHDIIXXCBMH-SFHVURJKSA-N 0 3 316.445 2.239 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001566699764 1075320276 /nfs/dbraw/zinc/32/02/76/1075320276.db2.gz PLCFPMYWKNTIAS-UHFFFAOYSA-N 0 3 303.406 2.290 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2conc2C2CCCC2)C1 ZINC001566766631 1075339166 /nfs/dbraw/zinc/33/91/66/1075339166.db2.gz FLVCIAAUWQDBMJ-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(C)nc3ccccc32)C1 ZINC001566777090 1075342153 /nfs/dbraw/zinc/34/21/53/1075342153.db2.gz BLKPAVJSSUCFPM-HNNXBMFYSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001566792231 1075346303 /nfs/dbraw/zinc/34/63/03/1075346303.db2.gz DKXUMIZIMGLPPO-HAQNSBGRSA-N 0 3 308.451 2.186 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001566802626 1075348783 /nfs/dbraw/zinc/34/87/83/1075348783.db2.gz ZFXFQROZLGFJGW-HDJSIYSDSA-N 0 3 303.406 2.183 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCOC(C)C)C1 ZINC001566825616 1075354628 /nfs/dbraw/zinc/35/46/28/1075354628.db2.gz XXCVRYSLGJNIBC-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC001566839537 1075358445 /nfs/dbraw/zinc/35/84/45/1075358445.db2.gz CQGWNIBPXYMBCZ-MELADBBJSA-N 0 3 302.422 2.377 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001566959567 1075400387 /nfs/dbraw/zinc/40/03/87/1075400387.db2.gz FKOXXFAAAHZDHA-SJLPKXTDSA-N 0 3 313.445 2.458 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cscc1C(F)(F)F ZINC001567086135 1075429430 /nfs/dbraw/zinc/42/94/30/1075429430.db2.gz YQFWUFRBVGCZBV-SECBINFHSA-N 0 3 304.337 2.498 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001567194867 1075459575 /nfs/dbraw/zinc/45/95/75/1075459575.db2.gz DPDNMSQDJZVZJJ-INIZCTEOSA-N 0 3 324.428 2.133 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2COC)C1 ZINC001567196255 1075460645 /nfs/dbraw/zinc/46/06/45/1075460645.db2.gz YKHOEBBKZHPCLX-QGZVFWFLSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001567286221 1075487296 /nfs/dbraw/zinc/48/72/96/1075487296.db2.gz AOWXXUQZORCUDZ-MRXNPFEDSA-N 0 3 301.434 2.234 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267772042 1079479584 /nfs/dbraw/zinc/47/95/84/1079479584.db2.gz RVRBIBKUFPLHDY-STQMWFEESA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001267780486 1079490822 /nfs/dbraw/zinc/49/08/22/1079490822.db2.gz OWZRVSTUBDZQOB-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400662 1076446572 /nfs/dbraw/zinc/44/65/72/1076446572.db2.gz DANQSNAHRJYQMB-WQVCFCJDSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400662 1076446575 /nfs/dbraw/zinc/44/65/75/1076446575.db2.gz DANQSNAHRJYQMB-WQVCFCJDSA-N 0 3 313.405 2.499 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001267801160 1079505192 /nfs/dbraw/zinc/50/51/92/1079505192.db2.gz ZRARFQJOOAZNIQ-MRXNPFEDSA-N 0 3 315.392 2.485 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CCOC)CCC1 ZINC001484465859 1079622360 /nfs/dbraw/zinc/62/23/60/1079622360.db2.gz QOABHHZJVTVMSI-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN CN1CC[C@]2(CCN(Cc3cccc(C#N)c3Cl)C2)C1=O ZINC001272683881 1079631026 /nfs/dbraw/zinc/63/10/26/1079631026.db2.gz FWCCGXCYZHMKLB-MRXNPFEDSA-N 0 3 303.793 2.266 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCCCOC)C2)cc1 ZINC001267956399 1079636296 /nfs/dbraw/zinc/63/62/96/1079636296.db2.gz GKIVVVYEOZVRGT-GOSISDBHSA-N 0 3 314.429 2.289 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CCNCc2ccn(CC)n2)C1 ZINC001484512324 1079637792 /nfs/dbraw/zinc/63/77/92/1079637792.db2.gz FCZJZVPLSKRNEQ-OAHLLOKOSA-N 0 3 304.438 2.197 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCc1cnccn1 ZINC001484557963 1079658427 /nfs/dbraw/zinc/65/84/27/1079658427.db2.gz XCGFXXHHWJCFOX-UHFFFAOYSA-N 0 3 324.428 2.343 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)/C=C/c1ccc[nH]1 ZINC001267979266 1079662190 /nfs/dbraw/zinc/66/21/90/1079662190.db2.gz KUDBVYBAYOYPTN-HVHJFMEUSA-N 0 3 322.412 2.442 20 30 DEEDHN Cc1nsc(C)c1CNC1(CNC(=O)C#CC2CC2)CCC1 ZINC001484633732 1079694312 /nfs/dbraw/zinc/69/43/12/1079694312.db2.gz YMSJUSPNKAJSCS-UHFFFAOYSA-N 0 3 317.458 2.302 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(NCC(=O)NC(C)(C)C)CCC1 ZINC001484647103 1079703672 /nfs/dbraw/zinc/70/36/72/1079703672.db2.gz DYTIIYDKBLYBRQ-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H](CNCc2cnc(C)s2)C1 ZINC001484678874 1079724194 /nfs/dbraw/zinc/72/41/94/1079724194.db2.gz RNTIJTSEBAJCJJ-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN Cc1ccncc1CN(C)CCCN(C)C(=O)C#CC(C)C ZINC001484741868 1079761016 /nfs/dbraw/zinc/76/10/16/1079761016.db2.gz HSGJWNOAOYWMGM-UHFFFAOYSA-N 0 3 301.434 2.330 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCN(CCOC)C2)cc1 ZINC001481404492 1079791201 /nfs/dbraw/zinc/79/12/01/1079791201.db2.gz NFGVLKOQLZCRCT-GOSISDBHSA-N 0 3 314.429 2.241 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CCC)C(=O)Cc2c[nH]cn2)C1 ZINC001481408343 1079797280 /nfs/dbraw/zinc/79/72/80/1079797280.db2.gz PQNGZHYXEMEUBC-AWEZNQCLSA-N 0 3 310.829 2.018 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001484824953 1079817348 /nfs/dbraw/zinc/81/73/48/1079817348.db2.gz YZYYTNOJIZDQBJ-SFHVURJKSA-N 0 3 324.428 2.071 20 30 DEEDHN CC(C)C(=O)N1C[C@H](C)[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001484881209 1079841669 /nfs/dbraw/zinc/84/16/69/1079841669.db2.gz QQIYWFCRKVBXQA-WMLDXEAASA-N 0 3 302.393 2.270 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001484933006 1079865062 /nfs/dbraw/zinc/86/50/62/1079865062.db2.gz VMAZAGCQVFBDGR-WDEREUQCSA-N 0 3 305.344 2.315 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2cncs2)C(C)(C)C1 ZINC001484941090 1079875047 /nfs/dbraw/zinc/87/50/47/1079875047.db2.gz WVVBEOQUNNCCPB-AWEZNQCLSA-N 0 3 307.463 2.478 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)CCC(C)C)CC2)C1 ZINC001484941795 1079875266 /nfs/dbraw/zinc/87/52/66/1079875266.db2.gz LBPQLLIYGATSAL-UHFFFAOYSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCN(C2CN(CCC(=C)C)C2)CC1 ZINC001484944458 1079876740 /nfs/dbraw/zinc/87/67/40/1079876740.db2.gz RNOALGRYEUWYHS-UHFFFAOYSA-N 0 3 319.493 2.383 20 30 DEEDHN C[C@@H](CCNC(=O)C#CC1CC1)NCc1ccncc1Cl ZINC001484992377 1079910607 /nfs/dbraw/zinc/91/06/07/1079910607.db2.gz LCRQKLXBEFSXHC-LBPRGKRZSA-N 0 3 305.809 2.133 20 30 DEEDHN C=CCN1CCc2ccccc2[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC001485004800 1079912795 /nfs/dbraw/zinc/91/27/95/1079912795.db2.gz RTCCYSBYJOLEDI-SFHVURJKSA-N 0 3 324.428 2.244 20 30 DEEDHN CCOCCCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001268052863 1079974407 /nfs/dbraw/zinc/97/44/07/1079974407.db2.gz IAWAMVJYBPYNNR-KRWDZBQOSA-N 0 3 316.445 2.291 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001481524244 1079995710 /nfs/dbraw/zinc/99/57/10/1079995710.db2.gz DGNFKXPRJXRSFR-QGZVFWFLSA-N 0 3 302.418 2.012 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC001481527963 1080004658 /nfs/dbraw/zinc/00/46/58/1080004658.db2.gz XAJQNLSPDACTIX-HZPDHXFCSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1cnc(C)nc1 ZINC001268066206 1080009233 /nfs/dbraw/zinc/00/92/33/1080009233.db2.gz PYRNZUZGUDTRLK-CYBMUJFWSA-N 0 3 304.438 2.324 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc3ccn(C)c3c2)CCC1 ZINC001673226509 1080032842 /nfs/dbraw/zinc/03/28/42/1080032842.db2.gz PALYOYLWDPEBPY-UHFFFAOYSA-N 0 3 309.413 2.444 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CN[C@H](C)c1n[nH]c(CC)n1 ZINC001268085512 1080041192 /nfs/dbraw/zinc/04/11/92/1080041192.db2.gz MWJWZANAZYZEBF-CHWSQXEVSA-N 0 3 321.469 2.467 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CN[C@H](C)c1n[nH]c(C)n1 ZINC001268086874 1080043570 /nfs/dbraw/zinc/04/35/70/1080043570.db2.gz SGHPFRHZQZXYBO-NWDGAFQWSA-N 0 3 307.442 2.213 20 30 DEEDHN C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001656297952 1080076197 /nfs/dbraw/zinc/07/61/97/1080076197.db2.gz BWTPUZGXCOHMOD-QWHCGFSZSA-N 0 3 313.405 2.022 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2cncn2C)CC(C)C)C1 ZINC001268113132 1080082937 /nfs/dbraw/zinc/08/29/37/1080082937.db2.gz ZRSLDORJZBVBDL-HNNXBMFYSA-N 0 3 318.465 2.397 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CCCCO1)N(C)Cc1ccc(C#N)cc1 ZINC001485295378 1080124712 /nfs/dbraw/zinc/12/47/12/1080124712.db2.gz TWRNCANMWIDDTL-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](CNC(=O)CCn1cccc1)N(C)Cc1cccc(C#N)c1 ZINC001485365455 1080170172 /nfs/dbraw/zinc/17/01/72/1080170172.db2.gz LMLJZURPGHMNSX-INIZCTEOSA-N 0 3 324.428 2.387 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C)C2(C)CC2)c1 ZINC001657519040 1080177798 /nfs/dbraw/zinc/17/77/98/1080177798.db2.gz IOTIASZBLWFPHJ-ZDUSSCGKSA-N 0 3 313.401 2.436 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC001268236503 1080218214 /nfs/dbraw/zinc/21/82/14/1080218214.db2.gz CDMFTXLUEBTUGB-ZDUSSCGKSA-N 0 3 309.435 2.184 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001481645753 1080220787 /nfs/dbraw/zinc/22/07/87/1080220787.db2.gz WTHXSQUGAYFEEX-HNNXBMFYSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC001485528641 1080270328 /nfs/dbraw/zinc/27/03/28/1080270328.db2.gz KKUAOJCYVLZPMP-GDBMZVCRSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC001485528643 1080270392 /nfs/dbraw/zinc/27/03/92/1080270392.db2.gz KKUAOJCYVLZPMP-GOEBONIOSA-N 0 3 306.450 2.206 20 30 DEEDHN N#CCSCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001481664786 1080271128 /nfs/dbraw/zinc/27/11/28/1080271128.db2.gz QDIMZZRGBAJPCP-GJZGRUSLSA-N 0 3 319.474 2.109 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C(C)(C)C1CCCC1 ZINC001660174062 1080279782 /nfs/dbraw/zinc/27/97/82/1080279782.db2.gz IWTQLMLMOQXESA-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001485537895 1080284252 /nfs/dbraw/zinc/28/42/52/1080284252.db2.gz BCGRCLWMXNVIGM-MGPUTAFESA-N 0 3 310.441 2.350 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](OCC)C1CC1 ZINC001481676804 1080287726 /nfs/dbraw/zinc/28/77/26/1080287726.db2.gz NLHXMOWBDAJAOD-YESZJQIVSA-N 0 3 306.450 2.443 20 30 DEEDHN CC1(C)CN(CC2CC(F)(F)C2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001485570555 1080303565 /nfs/dbraw/zinc/30/35/65/1080303565.db2.gz RXMOUVFFPVSYHX-AWEZNQCLSA-N 0 3 310.388 2.272 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001481702628 1080321488 /nfs/dbraw/zinc/32/14/88/1080321488.db2.gz PLVQSDBGZHDQMI-NWDGAFQWSA-N 0 3 309.435 2.311 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CN(CCO)CC1(C)C)c1ccccc1 ZINC001485587378 1080324816 /nfs/dbraw/zinc/32/48/16/1080324816.db2.gz UXSXMEARWUALEP-DLBZAZTESA-N 0 3 316.445 2.165 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1cncn1C ZINC001660439820 1080333237 /nfs/dbraw/zinc/33/32/37/1080333237.db2.gz LAYWJWDASUWOJN-RDJZCZTQSA-N 0 3 316.449 2.083 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C(C3CCC3)C3CCC3)[C@@H]2C1 ZINC001485615271 1080334598 /nfs/dbraw/zinc/33/45/98/1080334598.db2.gz ZFQDUPOHJXRCHQ-OSYLJGHBSA-N 0 3 300.446 2.130 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCCN(CCOC1CCC1)C2 ZINC001485663346 1080354760 /nfs/dbraw/zinc/35/47/60/1080354760.db2.gz UYFNEOQIAXUVPX-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C(C)C)n(C)n1 ZINC001268367043 1080380045 /nfs/dbraw/zinc/38/00/45/1080380045.db2.gz QKSMYBDQPOUKNT-GFCCVEGCSA-N 0 3 312.845 2.394 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2cc(C)[nH]c2C)CC1 ZINC001660787890 1080396136 /nfs/dbraw/zinc/39/61/36/1080396136.db2.gz UWACUMXXYWNQJN-UHFFFAOYSA-N 0 3 319.449 2.371 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001660892424 1080412381 /nfs/dbraw/zinc/41/23/81/1080412381.db2.gz NLUMMNOYCIJKQK-GOSISDBHSA-N 0 3 305.466 2.043 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001481740426 1080418772 /nfs/dbraw/zinc/41/87/72/1080418772.db2.gz CETKNMALEIOEKW-CABCVRRESA-N 0 3 306.406 2.118 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2c(C)noc2Cl)C1 ZINC001661049283 1080432979 /nfs/dbraw/zinc/43/29/79/1080432979.db2.gz DTMURPMHEPELEH-GFCCVEGCSA-N 0 3 311.813 2.336 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001661045992 1080433168 /nfs/dbraw/zinc/43/31/68/1080433168.db2.gz WLRHJDOEDROCDG-SJORKVTESA-N 0 3 301.434 2.056 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](NCc2cncn2C)C2CC2)CC1 ZINC001661162177 1080449921 /nfs/dbraw/zinc/44/99/21/1080449921.db2.gz CWFGSIFKPVKFTF-QGZVFWFLSA-N 0 3 316.449 2.151 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCC2CC2)C1 ZINC001661547063 1080491679 /nfs/dbraw/zinc/49/16/79/1080491679.db2.gz BEJTYWJWILPMFG-ROUUACIJSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCc3nccnc3C)C2)CCC1 ZINC001661650104 1080503363 /nfs/dbraw/zinc/50/33/63/1080503363.db2.gz PBRYHRSSLMHKBY-GASCZTMLSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001077579734 1080508571 /nfs/dbraw/zinc/50/85/71/1080508571.db2.gz NWEIQGKJICSORI-IAGOWNOFSA-N 0 3 320.477 2.330 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc3cc[nH]c3c2)C1=O ZINC001272733072 1080514105 /nfs/dbraw/zinc/51/41/05/1080514105.db2.gz IRHPLHYIALPLEN-LJQANCHMSA-N 0 3 307.397 2.368 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001661748141 1080516678 /nfs/dbraw/zinc/51/66/78/1080516678.db2.gz NAQGMPHONJAFLY-KRWDZBQOSA-N 0 3 310.441 2.179 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001661743495 1080516949 /nfs/dbraw/zinc/51/69/49/1080516949.db2.gz ONKRKVPWFARIMA-MRXNPFEDSA-N 0 3 323.440 2.480 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cn1ncc2ccccc21 ZINC001661886446 1080539835 /nfs/dbraw/zinc/53/98/35/1080539835.db2.gz UZUJPFNJVNURJS-MRXNPFEDSA-N 0 3 312.417 2.193 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3ccnn3C)CC2)C1=O ZINC001272738497 1080542351 /nfs/dbraw/zinc/54/23/51/1080542351.db2.gz GZZYZPRDJTUQPD-SFHVURJKSA-N 0 3 316.449 2.201 20 30 DEEDHN C=CC(C)(C)C(=O)N(CC)CCNCC(=O)N1CCCC[C@@H]1C ZINC001268469286 1080556391 /nfs/dbraw/zinc/55/63/91/1080556391.db2.gz KENWHJGQOCTKQN-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(COC)CCC2)C1 ZINC001661995039 1080559812 /nfs/dbraw/zinc/55/98/12/1080559812.db2.gz CERWJAUKNHZWLO-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001662263142 1080589423 /nfs/dbraw/zinc/58/94/23/1080589423.db2.gz PPZBTYHHUFGHGL-UPJWGTAASA-N 0 3 304.356 2.473 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001662283088 1080591763 /nfs/dbraw/zinc/59/17/63/1080591763.db2.gz OVMJEUBJCQROCE-SWLSCSKDSA-N 0 3 304.821 2.487 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NCc2cccnc2)CCOCC1 ZINC001662398279 1080604220 /nfs/dbraw/zinc/60/42/20/1080604220.db2.gz AKYFHJUYSYEDMH-OAHLLOKOSA-N 0 3 317.433 2.049 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001268489270 1080619574 /nfs/dbraw/zinc/61/95/74/1080619574.db2.gz RVLJSTCZZOLGNT-QUCCMNQESA-N 0 3 310.441 2.352 20 30 DEEDHN O=C(C#CC1CC1)N1CCC(CCNCc2cscn2)CC1 ZINC001481998160 1080678521 /nfs/dbraw/zinc/67/85/21/1080678521.db2.gz MFTJMEPQWSNTQM-UHFFFAOYSA-N 0 3 317.458 2.275 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)OCC2CC2)cc1 ZINC001482029377 1080700359 /nfs/dbraw/zinc/70/03/59/1080700359.db2.gz JVEQYJBMOBGSQY-HNNXBMFYSA-N 0 3 314.429 2.231 20 30 DEEDHN CC[C@H](C(=O)NC/C=C/CNc1cccc(F)c1C#N)N(C)C ZINC001107275227 1080702789 /nfs/dbraw/zinc/70/27/89/1080702789.db2.gz QVMWMZPEADMAMZ-SQRWCISFSA-N 0 3 318.396 2.122 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)Cc2cncs2)cc1 ZINC001482031503 1080711612 /nfs/dbraw/zinc/71/16/12/1080711612.db2.gz PQDMTUPGIGTGAH-UHFFFAOYSA-N 0 3 313.426 2.115 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cnn(CCC)c2C)cc1 ZINC001482034046 1080718963 /nfs/dbraw/zinc/71/89/63/1080718963.db2.gz VIPQKYWZCKZHNS-UHFFFAOYSA-N 0 3 324.428 2.254 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@@H](C)n1cccc1 ZINC001482089845 1080793639 /nfs/dbraw/zinc/79/36/39/1080793639.db2.gz MVAWTGDQMVHBBX-HZPDHXFCSA-N 0 3 324.428 2.463 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)COc2ccc(C)cc2C)C1 ZINC001663639862 1080795706 /nfs/dbraw/zinc/79/57/06/1080795706.db2.gz YLYHVQBHFBBZEC-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001663723325 1080807207 /nfs/dbraw/zinc/80/72/07/1080807207.db2.gz VGZFSHDNMSUJDE-MRXNPFEDSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCN(CCNC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC1 ZINC001663739403 1080809085 /nfs/dbraw/zinc/80/90/85/1080809085.db2.gz CNAGHFMRRVKISP-QWHCGFSZSA-N 0 3 320.355 2.253 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1nc(C)n2ccccc12)C1CC1 ZINC001663739853 1080809524 /nfs/dbraw/zinc/80/95/24/1080809524.db2.gz NLTJDIRXZSFQLR-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNC/C=C\Cl)CCOCC1 ZINC001268670969 1080926346 /nfs/dbraw/zinc/92/63/46/1080926346.db2.gz QGUDMERJYCZPED-IBSXUBTNSA-N 0 3 300.830 2.206 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C[C@@H]1CCCOC1)c1ccccc1 ZINC001664597695 1080930989 /nfs/dbraw/zinc/93/09/89/1080930989.db2.gz COHTZQVHDLZQRI-FUHWJXTLSA-N 0 3 314.429 2.274 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cnc(C)n2C)C1 ZINC001664677997 1080941334 /nfs/dbraw/zinc/94/13/34/1080941334.db2.gz JUMUUMFIUOQJSK-HNNXBMFYSA-N 0 3 304.438 2.231 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CN(C)Cc2cncc(C)c2)C1 ZINC001664801351 1080961636 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C=C(C)CCC(=O)N(CC)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001665721974 1081070620 /nfs/dbraw/zinc/07/06/20/1081070620.db2.gz XDMAATOZNVVWGO-KRWDZBQOSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001665725970 1081071852 /nfs/dbraw/zinc/07/18/52/1081071852.db2.gz LZLDZMQEALSNFG-OAHLLOKOSA-N 0 3 317.433 2.055 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001269052047 1081098691 /nfs/dbraw/zinc/09/86/91/1081098691.db2.gz QMCWMRWGGAHYDD-IRXDYDNUSA-N 0 3 306.450 2.330 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(F)nc1)C1CC1 ZINC001665985521 1081106204 /nfs/dbraw/zinc/10/62/04/1081106204.db2.gz SLYMKKALPJRIAP-HNNXBMFYSA-N 0 3 311.788 2.461 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CC[C@H](NCc2nc(C)cs2)CC1 ZINC001666274755 1081139431 /nfs/dbraw/zinc/13/94/31/1081139431.db2.gz IECXCYMISYFTND-HDJSIYSDSA-N 0 3 323.462 2.171 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1nccnc1C ZINC001666624070 1081167752 /nfs/dbraw/zinc/16/77/52/1081167752.db2.gz 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C=CCOCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001486195416 1085123229 /nfs/dbraw/zinc/12/32/29/1085123229.db2.gz MGVKHTTYDGQJFI-DTUFIANYSA-N 0 3 321.248 2.383 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000960187910 1085141548 /nfs/dbraw/zinc/14/15/48/1085141548.db2.gz XNYVGWPUFVLYLX-ZSHCYNCHSA-N 0 3 300.377 2.090 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)CCOCC1 ZINC001486246563 1085163725 /nfs/dbraw/zinc/16/37/25/1085163725.db2.gz NCTPDBKSPIGQFW-CQSZACIVSA-N 0 3 312.429 2.155 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000960260532 1085169764 /nfs/dbraw/zinc/16/97/64/1085169764.db2.gz INUGNBOCINBSCQ-IAGOWNOFSA-N 0 3 306.369 2.058 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCCN1C ZINC000960275851 1085177435 /nfs/dbraw/zinc/17/74/35/1085177435.db2.gz OWVSBUQZLVQZCB-KZNAEPCWSA-N 0 3 313.445 2.029 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnn(CCC)c1 ZINC000960310327 1085191330 /nfs/dbraw/zinc/19/13/30/1085191330.db2.gz GXXRDDPNVLXGEW-QZTJIDSGSA-N 0 3 324.428 2.465 20 30 DEEDHN CC(C)(C)[C@H](CNCc1cncs1)NC(=O)C#CC1CC1 ZINC001486396617 1085260234 /nfs/dbraw/zinc/26/02/34/1085260234.db2.gz FIIHTOJSYRCELS-AWEZNQCLSA-N 0 3 305.447 2.177 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)noc1C(F)F ZINC000960463879 1085299605 /nfs/dbraw/zinc/29/96/05/1085299605.db2.gz IBMVNGPCLHFNGC-IAZYJMLFSA-N 0 3 311.332 2.157 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1sc(C)nc1C)CCOC ZINC001486432978 1085308935 /nfs/dbraw/zinc/30/89/35/1085308935.db2.gz JXIZVMAHCFJISJ-UHFFFAOYSA-N 0 3 311.451 2.014 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)COC(C)C)CC[C@H]1C(F)(F)F ZINC001486451502 1085322536 /nfs/dbraw/zinc/32/25/36/1085322536.db2.gz QAIOUXJGKZDUAV-CHWSQXEVSA-N 0 3 322.371 2.357 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965621065 1085627280 /nfs/dbraw/zinc/62/72/80/1085627280.db2.gz FMDSVRDKKMQXRF-TVQRCGJNSA-N 0 3 310.829 2.219 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3ccc(CC)cc3)C2)OCC1=O ZINC001272972824 1085737984 /nfs/dbraw/zinc/73/79/84/1085737984.db2.gz YMPJLDKNMHERLN-IBGZPJMESA-N 0 3 314.429 2.238 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cccc(F)c3F)C2)C1=O ZINC001272974470 1085748524 /nfs/dbraw/zinc/74/85/24/1085748524.db2.gz RDHVOEZQBRWVMD-QGZVFWFLSA-N 0 3 304.340 2.022 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2C=CC=CC=C2)ccc1F ZINC001128384114 1085749013 /nfs/dbraw/zinc/74/90/13/1085749013.db2.gz GEBRKZZGMGNCFA-UHFFFAOYSA-N 0 3 311.360 2.202 20 30 DEEDHN C=C(C)CCC(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001128405177 1085765104 /nfs/dbraw/zinc/76/51/04/1085765104.db2.gz RVGYLYOHOUYIHK-UHFFFAOYSA-N 0 3 303.406 2.207 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)CC3CC3)C2)cc1F ZINC000966081610 1085784385 /nfs/dbraw/zinc/78/43/85/1085784385.db2.gz AVOQIPPBEKYCTA-OAHLLOKOSA-N 0 3 301.365 2.188 20 30 DEEDHN C=C[C@H](COC)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001329508492 1148906441 /nfs/dbraw/zinc/90/64/41/1148906441.db2.gz ZWMQMSZWCBWFRQ-CVEARBPZSA-N 0 3 304.390 2.188 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc(OC(C)C)c1 ZINC000962943769 1086277090 /nfs/dbraw/zinc/27/70/90/1086277090.db2.gz HJQZSUBLCVAEOZ-DZFIZOCASA-N 0 3 314.429 2.249 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1Cc3cccc(Cl)c3C1)C2 ZINC001649124140 1086296654 /nfs/dbraw/zinc/29/66/54/1086296654.db2.gz VKWBPMFEDKBAHV-UIORMTCPSA-N 0 3 315.804 2.322 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)COC)C1 ZINC000963198557 1086325674 /nfs/dbraw/zinc/32/56/74/1086325674.db2.gz ZOSMULKSTCISSO-KGLIPLIRSA-N 0 3 300.830 2.088 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001128718875 1086345913 /nfs/dbraw/zinc/34/59/13/1086345913.db2.gz DYAYZLLVCMPPTP-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN CCc1ncsc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001128893995 1086439799 /nfs/dbraw/zinc/43/97/99/1086439799.db2.gz BRKQHBAGPHLUJI-UHFFFAOYSA-N 0 3 314.414 2.097 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@H]1CCCO1)C2 ZINC000963595901 1086506896 /nfs/dbraw/zinc/50/68/96/1086506896.db2.gz VVGLKCXIVOZIRU-SWAPUOLTSA-N 0 3 312.841 2.325 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1c[nH]c(C#N)c1)C2 ZINC000963699417 1086540543 /nfs/dbraw/zinc/54/05/43/1086540543.db2.gz FNLHQCJQEJTWRF-UHFFFAOYSA-N 0 3 318.808 2.269 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001062252571 1086820389 /nfs/dbraw/zinc/82/03/89/1086820389.db2.gz UZBZRMDTDYHEIO-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001062283396 1086830769 /nfs/dbraw/zinc/83/07/69/1086830769.db2.gz SDMDYDNIUMXXAF-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001487269629 1087179820 /nfs/dbraw/zinc/17/98/20/1087179820.db2.gz KFBBEARAKLLLSH-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001273177743 1087190161 /nfs/dbraw/zinc/19/01/61/1087190161.db2.gz QIGLZYPMDAOLHH-KBXCAEBGSA-N 0 3 312.417 2.176 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(NC(=O)CN(C)C(C)C)CCC1 ZINC001063175108 1087372768 /nfs/dbraw/zinc/37/27/68/1087372768.db2.gz NILJBPXWVCXGAQ-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114689574 1088099903 /nfs/dbraw/zinc/09/99/03/1088099903.db2.gz MJAHIHVRZHXUNP-DZFIZOCASA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC001079737740 1088369619 /nfs/dbraw/zinc/36/96/19/1088369619.db2.gz ZOLQFWCQESCBIJ-QLFBSQMISA-N 0 3 316.449 2.407 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001079829015 1088433305 /nfs/dbraw/zinc/43/33/05/1088433305.db2.gz UFXCEWFHUSLNEZ-CZUORRHYSA-N 0 3 316.449 2.407 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001079896271 1088496355 /nfs/dbraw/zinc/49/63/55/1088496355.db2.gz MEFUGDYXMRPVCL-TZMCWYRMSA-N 0 3 303.406 2.180 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114791353 1088503442 /nfs/dbraw/zinc/50/34/42/1088503442.db2.gz CJJMBTSMMBAJRY-VUHPKUFZSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOCC(C)C)C[C@H]21 ZINC001114791195 1088504723 /nfs/dbraw/zinc/50/47/23/1088504723.db2.gz ACHXMXLGCDXWCA-MUQADHOPSA-N 0 3 308.466 2.308 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001114792139 1088508361 /nfs/dbraw/zinc/50/83/61/1088508361.db2.gz PATVPHHITWVTAS-WBTNSWJXSA-N 0 3 319.474 2.334 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3ccc(C)cn23)C1 ZINC001080125279 1088639468 /nfs/dbraw/zinc/63/94/68/1088639468.db2.gz KWCLCJFOLTXTOJ-HUUCEWRRSA-N 0 3 312.417 2.269 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccc(Cl)cc32)C1 ZINC001080129703 1088641853 /nfs/dbraw/zinc/64/18/53/1088641853.db2.gz KBPHXUDZHZYNHU-BYCMXARLSA-N 0 3 320.820 2.439 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC000958654510 1089128827 /nfs/dbraw/zinc/12/88/27/1089128827.db2.gz UEVAIKGYAOTXBP-LSDHHAIUSA-N 0 3 322.474 2.218 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001080875005 1089229089 /nfs/dbraw/zinc/22/90/89/1089229089.db2.gz IIAWJPWFZQMLSL-OLMNPRSZSA-N 0 3 314.429 2.141 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001080909323 1089239269 /nfs/dbraw/zinc/23/92/69/1089239269.db2.gz LMDIXSPGUWYZSG-CXAGYDPISA-N 0 3 310.401 2.256 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001081066762 1089315038 /nfs/dbraw/zinc/31/50/38/1089315038.db2.gz GRIWQHCPJJYDSJ-RHSMWYFYSA-N 0 3 301.434 2.451 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@H](OC)C1 ZINC001081720558 1089445795 /nfs/dbraw/zinc/44/57/95/1089445795.db2.gz SMHZNRUGIASQJL-IAGOWNOFSA-N 0 3 317.433 2.039 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H](OC)C1 ZINC001081978672 1089635142 /nfs/dbraw/zinc/63/51/42/1089635142.db2.gz ICAJOMTXFSZGMF-FIDHJVLJSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3cccc(C)c3)[C@H]2C1 ZINC001082987098 1090133097 /nfs/dbraw/zinc/13/30/97/1090133097.db2.gz LGAOYSGMAFSHMQ-DLBZAZTESA-N 0 3 300.402 2.096 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C3CCCCCC3)[C@H]2C1 ZINC001083021501 1090143093 /nfs/dbraw/zinc/14/30/93/1090143093.db2.gz RJMGPKSDALFIFW-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc(C3CCC3)c2)[C@@H](O)C1 ZINC001083953180 1090182246 /nfs/dbraw/zinc/18/22/46/1090182246.db2.gz KFMHTCMLGWWIPT-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)c1 ZINC001084235708 1090247668 /nfs/dbraw/zinc/24/76/68/1090247668.db2.gz LCMQHROCRGYDPS-JFIYKMOQSA-N 0 3 311.429 2.496 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(F)cncc3F)[C@@H]2C1 ZINC001084377720 1090280953 /nfs/dbraw/zinc/28/09/53/1090280953.db2.gz VRXUEGOSXJLXAH-BXUZGUMPSA-N 0 3 307.344 2.082 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)nc3)[C@@H]2C1 ZINC001084405414 1090291430 /nfs/dbraw/zinc/29/14/30/1090291430.db2.gz MFZILGMHABUSOL-SJLPKXTDSA-N 0 3 311.429 2.375 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084459960 1090297577 /nfs/dbraw/zinc/29/75/77/1090297577.db2.gz CWANJCDLDZPKMS-GDBMZVCRSA-N 0 3 300.402 2.418 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc4sccc4[nH]3)[C@@H]2C1 ZINC001084755639 1090422675 /nfs/dbraw/zinc/42/26/75/1090422675.db2.gz HJJZFZDTSNEDCJ-IUODEOHRSA-N 0 3 313.426 2.399 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4ccncc4c3)[C@@H]2C1 ZINC001084758400 1090428705 /nfs/dbraw/zinc/42/87/05/1090428705.db2.gz NWIBPXJWVPTKKI-IEBWSBKVSA-N 0 3 319.408 2.404 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001098916960 1090449430 /nfs/dbraw/zinc/44/94/30/1090449430.db2.gz VTGNJCBEURAPOL-JKSUJKDBSA-N 0 3 316.449 2.074 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001084906775 1090508447 /nfs/dbraw/zinc/50/84/47/1090508447.db2.gz HGMCJBFBOHAKBL-YUELXQCFSA-N 0 3 303.431 2.331 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC001099858963 1090557113 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C=CCNC(=O)[C@H]1CC12CCN(Cc1cnc3[nH]ccc3c1)CC2 ZINC001273390613 1091133408 /nfs/dbraw/zinc/13/34/08/1091133408.db2.gz CKGZJLCAJNYQAS-MRXNPFEDSA-N 0 3 324.428 2.467 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(NCc2cc(C)n(C)n2)CC1 ZINC001274319901 1091188252 /nfs/dbraw/zinc/18/82/52/1091188252.db2.gz CQZSYSMQBGLVSC-UHFFFAOYSA-N 0 3 304.438 2.165 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3nccc(C)c3Cl)C2)C1=O ZINC001274360922 1091205258 /nfs/dbraw/zinc/20/52/58/1091205258.db2.gz QFGPSDLQWHWBCE-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCOCC2CC2)C(C)(C)C1 ZINC001274434782 1091242752 /nfs/dbraw/zinc/24/27/52/1091242752.db2.gz GHQXKHUYAQLZIG-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCCCN1CCN([C@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001280680964 1091249851 /nfs/dbraw/zinc/24/98/51/1091249851.db2.gz YOJHDEDRSKGHIT-SFHVURJKSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C=C(CC)CC)CC1 ZINC001274511717 1091277082 /nfs/dbraw/zinc/27/70/82/1091277082.db2.gz WKZHFMXBYCVNJO-UHFFFAOYSA-N 0 3 314.857 2.428 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1c(F)cccc1Cl ZINC001274525551 1091285328 /nfs/dbraw/zinc/28/53/28/1091285328.db2.gz HADXZMLOGOUFGZ-IHWYPQMZSA-N 0 3 324.783 2.005 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCO[C@H](C)CC(C)C)C1 ZINC001494820097 1091491954 /nfs/dbraw/zinc/49/19/54/1091491954.db2.gz RQFXVPHIWAMJBX-SJORKVTESA-N 0 3 308.466 2.384 20 30 DEEDHN COCC#CCN1CC[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001671069949 1091503342 /nfs/dbraw/zinc/50/33/42/1091503342.db2.gz HHCHKKXCXRILSM-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCCCN1C(=O)CN(C)C(C)C ZINC001280604166 1091614334 /nfs/dbraw/zinc/61/43/34/1091614334.db2.gz GTWAHJAOSCTUFY-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001275296907 1091656396 /nfs/dbraw/zinc/65/63/96/1091656396.db2.gz AXMSHACUGRDEAS-LRDDRELGSA-N 0 3 307.442 2.125 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccc(OC)nn1 ZINC001134470595 1091656806 /nfs/dbraw/zinc/65/68/06/1091656806.db2.gz RFHBIVXKTLRZTK-UONOGXRCSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(C)(C)C)CCC1 ZINC001275297378 1091657062 /nfs/dbraw/zinc/65/70/62/1091657062.db2.gz JYBJWNIHRMYIMN-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCOCCN1CCCCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001276278871 1091762419 /nfs/dbraw/zinc/76/24/19/1091762419.db2.gz WVIJRWBSSVJTIF-OAHLLOKOSA-N 0 3 321.421 2.160 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001273445259 1091769383 /nfs/dbraw/zinc/76/93/83/1091769383.db2.gz KNNNXPUDQJMDCD-ZIFCJYIRSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(OC)ns2)[C@@H]1C ZINC001178577246 1091856505 /nfs/dbraw/zinc/85/65/05/1091856505.db2.gz UREMKGMYYIEEQW-JSGCOSHPSA-N 0 3 321.446 2.034 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1cc(C)sc1C ZINC001275558006 1091859422 /nfs/dbraw/zinc/85/94/22/1091859422.db2.gz ANJGJRXHFRDVLE-GXTWGEPZSA-N 0 3 322.474 2.340 20 30 DEEDHN C=CCCCCN1CCC[C@]12CCN(Cc1nc(C)no1)C2=O ZINC001273500906 1091887050 /nfs/dbraw/zinc/88/70/50/1091887050.db2.gz NQNBZXPADRBCHF-QGZVFWFLSA-N 0 3 318.421 2.301 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)Cc2ncccc2F)CC1 ZINC000948722543 1091902030 /nfs/dbraw/zinc/90/20/30/1091902030.db2.gz RTSZVBSKGOZJEM-OAHLLOKOSA-N 0 3 317.408 2.099 20 30 DEEDHN C#CCCCN1CCCC[C@@]12CC(=O)N(CC(F)(F)F)C2 ZINC001273537707 1091910586 /nfs/dbraw/zinc/91/05/86/1091910586.db2.gz KSLJITJZPSVOJK-AWEZNQCLSA-N 0 3 302.340 2.419 20 30 DEEDHN C#CCCCN1CCCC[C@@]12CC(=O)N(Cc1ccncc1)C2 ZINC001273541687 1091913640 /nfs/dbraw/zinc/91/36/40/1091913640.db2.gz IAMGFEMQFQQCNL-IBGZPJMESA-N 0 3 311.429 2.452 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ocnc2CC)CC1 ZINC000948763698 1091922071 /nfs/dbraw/zinc/92/20/71/1091922071.db2.gz ZAXFJPVOQHJRPJ-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1csc(C(C)(C)C)n1 ZINC001273660146 1091980770 /nfs/dbraw/zinc/98/07/70/1091980770.db2.gz FTIAZLQLCWQCNP-UHFFFAOYSA-N 0 3 321.490 2.445 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)c1cncn1C ZINC000948935256 1092004403 /nfs/dbraw/zinc/00/44/03/1092004403.db2.gz DCYXVFRGVQVTCM-QGZVFWFLSA-N 0 3 324.428 2.325 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cnc(-c2ccco2)s1 ZINC001273716200 1092010855 /nfs/dbraw/zinc/01/08/55/1092010855.db2.gz FYEBWQXIWPSRGR-UHFFFAOYSA-N 0 3 317.414 2.478 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1ccc(COC(C)C)cc1 ZINC001273745481 1092026408 /nfs/dbraw/zinc/02/64/08/1092026408.db2.gz XQVJUAUONAHEHH-UHFFFAOYSA-N 0 3 302.418 2.297 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C(C)(C)F)CC2)C1 ZINC000949277080 1092088498 /nfs/dbraw/zinc/08/84/98/1092088498.db2.gz XHFQITDHLRATMW-UHFFFAOYSA-N 0 3 312.429 2.394 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CN(C)C(=O)CN(C)CCC)CC1 ZINC001487856625 1092260833 /nfs/dbraw/zinc/26/08/33/1092260833.db2.gz WIZWIIBUSQUEEP-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001273834218 1092287499 /nfs/dbraw/zinc/28/74/99/1092287499.db2.gz UPZSSKYRBPTZCB-DOTOQJQBSA-N 0 3 312.429 2.252 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1cccc(C)c1 ZINC001493129258 1092428200 /nfs/dbraw/zinc/42/82/00/1092428200.db2.gz AALURTJFFRYZDC-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN CN(CCCNCc1cc(F)ccc1F)C(=O)C#CC1CC1 ZINC001275995775 1092467194 /nfs/dbraw/zinc/46/71/94/1092467194.db2.gz HQVDPNWBOLZTBV-UHFFFAOYSA-N 0 3 306.356 2.316 20 30 DEEDHN CCc1ocnc1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001273918666 1092507261 /nfs/dbraw/zinc/50/72/61/1092507261.db2.gz HPBPAUTUZKAWCV-ONEGZZNKSA-N 0 3 324.384 2.184 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NC(=O)CN(CC)CC)C1 ZINC001488595387 1092635157 /nfs/dbraw/zinc/63/51/57/1092635157.db2.gz RNWNQYCLCDUOCI-JTTJXQCZSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC001488902038 1092805814 /nfs/dbraw/zinc/80/58/14/1092805814.db2.gz IWJCQGWQCFPASJ-FRRDWIJNSA-N 0 3 321.371 2.499 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001489224159 1092994038 /nfs/dbraw/zinc/99/40/38/1092994038.db2.gz ZVQOQCFEJTVRJQ-GOSISDBHSA-N 0 3 306.450 2.163 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCNC(=O)C(C)(C)C ZINC001489328098 1093021834 /nfs/dbraw/zinc/02/18/34/1093021834.db2.gz SSVIUAPVMVDGPJ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C[C@@H](C)c1ccccc1 ZINC001490276301 1093271793 /nfs/dbraw/zinc/27/17/93/1093271793.db2.gz PEUKMYNPIXVRDS-QGZVFWFLSA-N 0 3 316.445 2.268 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1ccc(C)c(OC)c1)C1CC1 ZINC001490380197 1093334605 /nfs/dbraw/zinc/33/46/05/1093334605.db2.gz YWSAETXKRJYMLW-UHFFFAOYSA-N 0 3 314.429 2.150 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC001490387721 1093340544 /nfs/dbraw/zinc/34/05/44/1093340544.db2.gz OUTRZCUNDCXLPI-UHFFFAOYSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCC1(C(=O)N(C)C2CCN(CCO)CC2)CCCCC1 ZINC001490420896 1093374554 /nfs/dbraw/zinc/37/45/54/1093374554.db2.gz LEKFUOCTMKVGAP-UHFFFAOYSA-N 0 3 308.466 2.428 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001490547893 1093405188 /nfs/dbraw/zinc/40/51/88/1093405188.db2.gz JDYQMKLSTNXYLN-IAGOWNOFSA-N 0 3 302.418 2.267 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)CCCC(F)(F)F)C1 ZINC001490562735 1093421112 /nfs/dbraw/zinc/42/11/12/1093421112.db2.gz IMVHHOBUHWXSQZ-GFCCVEGCSA-N 0 3 308.344 2.112 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CCC[C@H](C)O)C2)CCCC1 ZINC001490581726 1093429414 /nfs/dbraw/zinc/42/94/14/1093429414.db2.gz AQSNOYITEGIBPO-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCc2ccco2)CC1 ZINC001490586534 1093431415 /nfs/dbraw/zinc/43/14/15/1093431415.db2.gz AQIYGHZZQJLRDA-INIZCTEOSA-N 0 3 300.402 2.206 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1cncn1C)C1CC1 ZINC001490716819 1093479590 /nfs/dbraw/zinc/47/95/90/1093479590.db2.gz NGZSTUIDFCVDDE-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN O=C(Cc1ccco1)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001490719243 1093479901 /nfs/dbraw/zinc/47/99/01/1093479901.db2.gz DJTRNAYJTHLNON-LJQANCHMSA-N 0 3 322.408 2.358 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c[nH]1 ZINC001490797589 1093550569 /nfs/dbraw/zinc/55/05/69/1093550569.db2.gz CANLSMKSOPXPLR-SOUVJXGZSA-N 0 3 302.422 2.362 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2CCCC(=O)OCC ZINC001273970542 1093599952 /nfs/dbraw/zinc/59/99/52/1093599952.db2.gz RYUYHDPFRPWYOT-SFHVURJKSA-N 0 3 322.449 2.363 20 30 DEEDHN COC(C)(C)CN1CC[C@@]2(CCCN2CCCCC#N)C1=O ZINC001274042621 1093779755 /nfs/dbraw/zinc/77/97/55/1093779755.db2.gz IPAYBQYXUWWHKU-KRWDZBQOSA-N 0 3 307.438 2.172 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(C)c(O)c3)CC2)C1=O ZINC001274099257 1093798271 /nfs/dbraw/zinc/79/82/71/1093798271.db2.gz BGFNGKBXKDTWBJ-UHFFFAOYSA-N 0 3 312.413 2.148 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccccn2)C[C@H]1NCC#Cc1ccccc1 ZINC001274164256 1093829331 /nfs/dbraw/zinc/82/93/31/1093829331.db2.gz JDHUVXIIAXUNDM-QFBILLFUSA-N 0 3 319.408 2.183 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccn2)C1 ZINC001274178487 1093836955 /nfs/dbraw/zinc/83/69/55/1093836955.db2.gz ANYWBDCDFLBAAB-WBVHZDCISA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001329613627 1148939762 /nfs/dbraw/zinc/93/97/62/1148939762.db2.gz PRYQZCVWQUETOO-GFCCVEGCSA-N 0 3 301.390 2.413 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc2scnc2c1 ZINC001277980863 1138344332 /nfs/dbraw/zinc/34/43/32/1138344332.db2.gz VZMHLFRFLZHXIU-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]21 ZINC001237473609 1138648110 /nfs/dbraw/zinc/64/81/10/1138648110.db2.gz PYEDDQYENADMMX-VQFNDLOPSA-N 0 3 323.396 2.291 20 30 DEEDHN N#Cc1cc(CN2CCN(C3CCOCC3)CC2)c(F)cc1F ZINC001237525121 1138665279 /nfs/dbraw/zinc/66/52/79/1138665279.db2.gz AVHZIIIUWWLVGE-UHFFFAOYSA-N 0 3 321.371 2.133 20 30 DEEDHN N#CCC1CN(C(=O)[C@@H]2CC23CN(CCCc2ccccc2)C3)C1 ZINC001278198497 1138831832 /nfs/dbraw/zinc/83/18/32/1138831832.db2.gz CSCPORCPXNVAFV-SFHVURJKSA-N 0 3 323.440 2.313 20 30 DEEDHN COC(=O)CC[C@@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC001238410152 1138844597 /nfs/dbraw/zinc/84/45/97/1138844597.db2.gz WYJTTYAOVXWOHV-CYBMUJFWSA-N 0 3 302.374 2.342 20 30 DEEDHN CCc1cc(CN2CCN(CCC(C)(C)O)CC2)ccc1C#N ZINC001238768820 1138873350 /nfs/dbraw/zinc/87/33/50/1138873350.db2.gz MXLRIPNRWVSVBB-UHFFFAOYSA-N 0 3 315.461 2.399 20 30 DEEDHN CC(C)(C)OC(=O)C(C#N)c1nccnc1/C=C/C(C)(C)O ZINC001239148399 1138963940 /nfs/dbraw/zinc/96/39/40/1138963940.db2.gz IRJQOKPTXQCVDE-MLRMMBSGSA-N 0 3 303.362 2.210 20 30 DEEDHN CCCCCCCCCCNC(=S)N[C@@H](CN)C(=O)OC ZINC001239352503 1139025554 /nfs/dbraw/zinc/02/55/54/1139025554.db2.gz WDAOWJKMEFVPSP-ZDUSSCGKSA-N 0 3 317.499 2.092 20 30 DEEDHN CCCCCCCCNC(=S)N[C@H](C)[C@H]1CNCCO1 ZINC001239376518 1139031306 /nfs/dbraw/zinc/03/13/06/1139031306.db2.gz ADPOKEFMPHRSQW-ZIAGYGMSSA-N 0 3 301.500 2.188 20 30 DEEDHN Cc1cc(C#N)nc(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC001240390084 1139355169 /nfs/dbraw/zinc/35/51/69/1139355169.db2.gz VALBIRDDAFTPQD-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001295488039 1139402783 /nfs/dbraw/zinc/40/27/83/1139402783.db2.gz GDQUNGIEMWZSTO-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN CCN1CCN(c2ccc(-c3nccnc3CC#N)cc2)CC1 ZINC001241739215 1139847543 /nfs/dbraw/zinc/84/75/43/1139847543.db2.gz WPBRSQXQMCQYFT-UHFFFAOYSA-N 0 3 307.401 2.352 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001491577181 1140170939 /nfs/dbraw/zinc/17/09/39/1140170939.db2.gz AEZNMLNNJULABH-QAPCUYQASA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001491595819 1140189970 /nfs/dbraw/zinc/18/99/70/1140189970.db2.gz PYRZVCTUDKVONE-LBPRGKRZSA-N 0 3 314.389 2.010 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(F)cc2F)C1 ZINC001278369992 1140235869 /nfs/dbraw/zinc/23/58/69/1140235869.db2.gz BTUBNNGBWOMVCP-SWLSCSKDSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCOCC)C2)CC1 ZINC001316668096 1140283005 /nfs/dbraw/zinc/28/30/05/1140283005.db2.gz CDQCONNGWUGANZ-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCC(C)C)C1 ZINC001491729239 1140288609 /nfs/dbraw/zinc/28/86/09/1140288609.db2.gz JCRPXIGUQNRGPR-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@@H]1C ZINC001278377893 1140318482 /nfs/dbraw/zinc/31/84/82/1140318482.db2.gz JGIAANCZOVETLO-DZGCQCFKSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001318486366 1140348272 /nfs/dbraw/zinc/34/82/72/1140348272.db2.gz YFKPVAUNJLRKQB-CHWSQXEVSA-N 0 3 322.371 2.453 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)CNCc2cc3n(n2)CCC3)C1 ZINC001319238390 1140531995 /nfs/dbraw/zinc/53/19/95/1140531995.db2.gz TZIOFOGVSABVSY-CQSZACIVSA-N 0 3 316.449 2.028 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)c1ccccn1 ZINC001319419210 1140568568 /nfs/dbraw/zinc/56/85/68/1140568568.db2.gz ZNSFXYCAPNYYRG-INIZCTEOSA-N 0 3 307.397 2.183 20 30 DEEDHN COCCCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001319428563 1140569360 /nfs/dbraw/zinc/56/93/60/1140569360.db2.gz JRZBQVJPWKEGBX-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CCCCO1 ZINC001319443258 1140577563 /nfs/dbraw/zinc/57/75/63/1140577563.db2.gz QHXNDMZDFFQGQO-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN O=C1C=C2CN(C(=S)NCCc3ccccc3)CCC2S1 ZINC001245303293 1140604278 /nfs/dbraw/zinc/60/42/78/1140604278.db2.gz XPFCLRSTBBHFEO-AWEZNQCLSA-N 0 3 318.467 2.378 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](CNCc1cncs1)CC(C)C ZINC001319610348 1140624585 /nfs/dbraw/zinc/62/45/85/1140624585.db2.gz SJFYJWQDBFQNNR-AWEZNQCLSA-N 0 3 307.463 2.423 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1noc2c1CC(C)(C)CC2 ZINC001320028938 1140813420 /nfs/dbraw/zinc/81/34/20/1140813420.db2.gz IJASIAJZBHCBMW-UHFFFAOYSA-N 0 3 305.422 2.379 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001278416060 1140815718 /nfs/dbraw/zinc/81/57/18/1140815718.db2.gz KFSUGNMBDFPDOK-GOEBONIOSA-N 0 3 309.413 2.313 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cn1nc(C)c(Cl)c1C ZINC001320085492 1140819650 /nfs/dbraw/zinc/81/96/50/1140819650.db2.gz SBKAGQHJQNCVGZ-UHFFFAOYSA-N 0 3 312.845 2.120 20 30 DEEDHN C=CCCC(=O)NC[C@H](O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001320203533 1140837987 /nfs/dbraw/zinc/83/79/87/1140837987.db2.gz NCABPWKIZUYRFL-WCQYABFASA-N 0 3 312.360 2.059 20 30 DEEDHN C[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)C1=CCN(C)CC1 ZINC001320223276 1140839546 /nfs/dbraw/zinc/83/95/46/1140839546.db2.gz CGYXFQQWIHIRHS-CYBMUJFWSA-N 0 3 314.389 2.361 20 30 DEEDHN C=CCCCCCC[C@H](O)CNC1=C(C(=O)OCC)CNCC1 ZINC001245997558 1140843855 /nfs/dbraw/zinc/84/38/55/1140843855.db2.gz UQPGHQKLTRLIQF-HNNXBMFYSA-N 0 3 324.465 2.274 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001320426578 1140864415 /nfs/dbraw/zinc/86/44/15/1140864415.db2.gz ODBXJAVKIYJAPQ-SJORKVTESA-N 0 3 317.433 2.151 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001320592092 1140883532 /nfs/dbraw/zinc/88/35/32/1140883532.db2.gz MVCOCKFVINTZCQ-IRXDYDNUSA-N 0 3 317.433 2.151 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC001320604847 1140884772 /nfs/dbraw/zinc/88/47/72/1140884772.db2.gz KNHSOYAGMIAWBU-CYBMUJFWSA-N 0 3 311.451 2.022 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001278451573 1140924845 /nfs/dbraw/zinc/92/48/45/1140924845.db2.gz WJOLMSRIILKHFN-SJLPKXTDSA-N 0 3 302.393 2.171 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC[C@H]3CCCCO3)CCC[C@H]12 ZINC001278459008 1141012288 /nfs/dbraw/zinc/01/22/88/1141012288.db2.gz HMHBKBCHGOXLPU-SOLBZPMBSA-N 0 3 304.434 2.082 20 30 DEEDHN CCc1ocnc1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001321013643 1141031421 /nfs/dbraw/zinc/03/14/21/1141031421.db2.gz NBEOWZKHKXHJHW-ONEGZZNKSA-N 0 3 324.384 2.184 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CC(F)(F)C(F)F)CCC[C@H]12 ZINC001278461521 1141032938 /nfs/dbraw/zinc/03/29/38/1141032938.db2.gz WWLYSZTWSZAJBV-GWCFXTLKSA-N 0 3 306.303 2.023 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)[C@H]2CCC2(F)F)c1 ZINC001321111732 1141056429 /nfs/dbraw/zinc/05/64/29/1141056429.db2.gz LHXQFLWWTWEPFZ-DJYNDVHFSA-N 0 3 319.355 2.366 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC001321379338 1141217241 /nfs/dbraw/zinc/21/72/41/1141217241.db2.gz XUBPSVQROHLVRS-WLMCBFPDSA-N 0 3 300.402 2.048 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CN[C@@H]1CCc2c1cc(F)cc2F ZINC001321468336 1141271508 /nfs/dbraw/zinc/27/15/08/1141271508.db2.gz KTOZZISAXGMVMP-BDJLRTHQSA-N 0 3 324.371 2.249 20 30 DEEDHN CCCc1nc(C)c(CNCCCN(C)C(=O)C#CC2CC2)o1 ZINC001322501248 1141612931 /nfs/dbraw/zinc/61/29/31/1141612931.db2.gz GZIPXYXGQJQBDF-UHFFFAOYSA-N 0 3 317.433 2.287 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1nccnc1C ZINC001322641454 1141662920 /nfs/dbraw/zinc/66/29/20/1141662920.db2.gz RCXBRCPHESNDKM-UHFFFAOYSA-N 0 3 304.438 2.325 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001323321393 1141841561 /nfs/dbraw/zinc/84/15/61/1141841561.db2.gz YNFRGFZHXBFLMU-HNNXBMFYSA-N 0 3 300.406 2.124 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@H]1CCN1CCCOC)c1ccccc1 ZINC001323356870 1141845544 /nfs/dbraw/zinc/84/55/44/1141845544.db2.gz LQPLGYPZBIUOQW-IAGOWNOFSA-N 0 3 302.418 2.183 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001323434658 1141853325 /nfs/dbraw/zinc/85/33/25/1141853325.db2.gz CKGZHNBCXRXEOA-MRXNPFEDSA-N 0 3 322.836 2.406 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc4c(cnn4C)c3)no2)CCCN1 ZINC001249352005 1141877225 /nfs/dbraw/zinc/87/72/25/1141877225.db2.gz RXIDFULQYWOEEU-QGZVFWFLSA-N 0 3 307.357 2.225 20 30 DEEDHN CCCCCCCNC(=S)NCCCN1CCN(C)CC1 ZINC001249625642 1141972225 /nfs/dbraw/zinc/97/22/25/1141972225.db2.gz AXJKVRDBLRMEGA-UHFFFAOYSA-N 0 3 314.543 2.058 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2nccnc2C)C[C@H]1C ZINC001324057592 1141988398 /nfs/dbraw/zinc/98/83/98/1141988398.db2.gz ROWDJKLSHQOFJQ-ZBFHGGJFSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN(C(=O)C1C(C)(C)C1(C)C)C1CCN(CCOC)CC1 ZINC001324376122 1142065871 /nfs/dbraw/zinc/06/58/71/1142065871.db2.gz BAWGAKIRSZXUOH-UHFFFAOYSA-N 0 3 320.477 2.241 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#CC ZINC001324537181 1142096771 /nfs/dbraw/zinc/09/67/71/1142096771.db2.gz AXCRKBACZNRJOK-ZIFCJYIRSA-N 0 3 318.461 2.304 20 30 DEEDHN O[C@H](CNCC#C[C@@H]1CCCCO1)Cc1cccc(Cl)c1 ZINC001336846728 1142596255 /nfs/dbraw/zinc/59/62/55/1142596255.db2.gz XWCKQRZPRLPTGE-IRXDYDNUSA-N 0 3 307.821 2.406 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COCc2ccccc2)ccc1F ZINC001252303353 1142678825 /nfs/dbraw/zinc/67/88/25/1142678825.db2.gz QHEPABFLSSMCFB-QGZVFWFLSA-N 0 3 314.360 2.365 20 30 DEEDHN C=CCOC[C@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001252453170 1142717129 /nfs/dbraw/zinc/71/71/29/1142717129.db2.gz GWXBSXOUPAMGSC-ZIFCJYIRSA-N 0 3 318.461 2.145 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001337247388 1142717384 /nfs/dbraw/zinc/71/73/84/1142717384.db2.gz RKHPIXDSBUAGMA-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOC[C@@H](O)CN(Cc1cccc(OC)c1)[C@@H](C)COC ZINC001252470362 1142723118 /nfs/dbraw/zinc/72/31/18/1142723118.db2.gz KFPVPJUWFMJXRQ-RDJZCZTQSA-N 0 3 323.433 2.096 20 30 DEEDHN C=C[C@](C)(O)CN1CCN(c2ccc(Cl)c(OC)c2)CC1 ZINC001252559184 1142766236 /nfs/dbraw/zinc/76/62/36/1142766236.db2.gz SFCBDCXONTUOMC-INIZCTEOSA-N 0 3 310.825 2.408 20 30 DEEDHN C=CCC[C@H](O)CNCc1ccnc(N2CCCCCC2=O)c1 ZINC001252623213 1142795119 /nfs/dbraw/zinc/79/51/19/1142795119.db2.gz HHQGEGJGUKMJGM-INIZCTEOSA-N 0 3 317.433 2.405 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CCC[C@]2(CNC(=O)O2)C1 ZINC001253241581 1142856668 /nfs/dbraw/zinc/85/66/68/1142856668.db2.gz XSCHEUFQBZLFCE-RDJZCZTQSA-N 0 3 310.438 2.448 20 30 DEEDHN COc1cccc(OC[C@@H](O)CN2CCC[C@@H](C#N)CC2)c1 ZINC001253954500 1143010730 /nfs/dbraw/zinc/01/07/30/1143010730.db2.gz CETMCWWIRVVKSX-CABCVRRESA-N 0 3 304.390 2.061 20 30 DEEDHN C#CCN1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254310055 1143079371 /nfs/dbraw/zinc/07/93/71/1143079371.db2.gz LYXKAHAEBLXZHX-MRXNPFEDSA-N 0 3 321.465 2.027 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCCC)cc1 ZINC001339850874 1143135661 /nfs/dbraw/zinc/13/56/61/1143135661.db2.gz CEIGSWOPVXYSLA-HNNXBMFYSA-N 0 3 303.406 2.449 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCC(=O)OC)cc1C ZINC001339995690 1143226861 /nfs/dbraw/zinc/22/68/61/1143226861.db2.gz LXACBGGNSKCMQW-AWEZNQCLSA-N 0 3 320.389 2.169 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC001340079681 1143259046 /nfs/dbraw/zinc/25/90/46/1143259046.db2.gz LKQUKBOIUOVVKA-IRXDYDNUSA-N 0 3 320.433 2.307 20 30 DEEDHN CC1(COc2ccc(CN[C@H]3CC[C@H](C#N)C3)cn2)COC1 ZINC001254647191 1143295716 /nfs/dbraw/zinc/29/57/16/1143295716.db2.gz FOFPDYVHOQBUGR-ZFWWWQNUSA-N 0 3 301.390 2.279 20 30 DEEDHN COc1cnc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)nc1 ZINC001254675021 1143310728 /nfs/dbraw/zinc/31/07/28/1143310728.db2.gz DBZYETSLKDBCOV-QWHCGFSZSA-N 0 3 302.378 2.021 20 30 DEEDHN C#CC1(N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254686000 1143311234 /nfs/dbraw/zinc/31/12/34/1143311234.db2.gz DXTMBNFABLAYPC-GFCCVEGCSA-N 0 3 308.447 2.237 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCS[C@H](C)C1 ZINC001340567715 1143372989 /nfs/dbraw/zinc/37/29/89/1143372989.db2.gz GYHXRXZQHIURBF-ZIAGYGMSSA-N 0 3 321.494 2.215 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC001340873991 1143475584 /nfs/dbraw/zinc/47/55/84/1143475584.db2.gz WOSGEOPDLGNVEF-STQMWFEESA-N 0 3 300.406 2.434 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H](c2nc(CC)no2)C1 ZINC001341190266 1143559823 /nfs/dbraw/zinc/55/98/23/1143559823.db2.gz BYHZINWMAJCNOU-XQQFMLRXSA-N 0 3 306.410 2.068 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC001341685802 1143664288 /nfs/dbraw/zinc/66/42/88/1143664288.db2.gz XONBMEBOONELOA-INIZCTEOSA-N 0 3 321.396 2.284 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCC[C@H]1OCCc2ccccc21 ZINC001341970418 1143756987 /nfs/dbraw/zinc/75/69/87/1143756987.db2.gz QYAJYFZDMHXEET-IAGOWNOFSA-N 0 3 315.417 2.218 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cc(OC)cc(OC)c1 ZINC001342002084 1143767234 /nfs/dbraw/zinc/76/72/34/1143767234.db2.gz CCKBOMXZNVXKOV-MRXNPFEDSA-N 0 3 306.406 2.046 20 30 DEEDHN CSc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC001342047792 1143776198 /nfs/dbraw/zinc/77/61/98/1143776198.db2.gz COACODINXSJFTA-AWEZNQCLSA-N 0 3 302.399 2.329 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)CCCOC ZINC001342248662 1143806277 /nfs/dbraw/zinc/80/62/77/1143806277.db2.gz VBAANQGYVZAXIG-HNNXBMFYSA-N 0 3 321.469 2.136 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=N)c2ccc(F)cn2)C1 ZINC001255897669 1143812965 /nfs/dbraw/zinc/81/29/65/1143812965.db2.gz DZVUMADQONSEBQ-GFCCVEGCSA-N 0 3 322.384 2.326 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC2(CCNC2=O)CC1 ZINC001342421037 1143816766 /nfs/dbraw/zinc/81/67/66/1143816766.db2.gz FJINPWKFYVGFAS-HNNXBMFYSA-N 0 3 323.481 2.193 20 30 DEEDHN C=CCCC[C@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)OC ZINC001342596552 1143825839 /nfs/dbraw/zinc/82/58/39/1143825839.db2.gz AVSXVJXIRBIKMB-CABCVRRESA-N 0 3 304.390 2.091 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc2c(c1)CCO2 ZINC001342803969 1143837372 /nfs/dbraw/zinc/83/73/72/1143837372.db2.gz WPRNGHUJGMQZIW-IUODEOHRSA-N 0 3 301.390 2.210 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1ccc(C(N)=O)s1)C(C)C ZINC001278922130 1143838930 /nfs/dbraw/zinc/83/89/30/1143838930.db2.gz IUQFJEHRJWNJFV-UHFFFAOYSA-N 0 3 323.462 2.206 20 30 DEEDHN CCn1c(CCCC#N)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001342846899 1143839380 /nfs/dbraw/zinc/83/93/80/1143839380.db2.gz MGBAIOKBUNSYEH-KGLIPLIRSA-N 0 3 304.442 2.063 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC[C@H](C)OC)C2)CC1 ZINC001278964186 1143866680 /nfs/dbraw/zinc/86/66/80/1143866680.db2.gz OGDDZPYHGGXILK-WMZOPIPTSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC[C@@H](C)OC)C2)CC1 ZINC001278964183 1143866935 /nfs/dbraw/zinc/86/69/35/1143866935.db2.gz OGDDZPYHGGXILK-AEFFLSMTSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001421672668 1171893706 /nfs/dbraw/zinc/89/37/06/1171893706.db2.gz DNTGKJMCTIQVEI-RYUDHWBXSA-N 0 3 306.410 2.108 20 30 DEEDHN CSC(C)(C)C[C@@H](C)N1CCN(c2nccnc2C#N)CC1 ZINC001258342151 1143992868 /nfs/dbraw/zinc/99/28/68/1143992868.db2.gz RFFGWDAQBGSIHT-CYBMUJFWSA-N 0 3 319.478 2.390 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC001261296118 1144231587 /nfs/dbraw/zinc/23/15/87/1144231587.db2.gz RDLAKLSSSNNACF-AWEZNQCLSA-N 0 3 311.451 2.022 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@H](CF)C1 ZINC001262970813 1144346842 /nfs/dbraw/zinc/34/68/42/1144346842.db2.gz SXBLBSYLZFRZMR-HUUCEWRRSA-N 0 3 321.444 2.459 20 30 DEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1cc(F)ccc1OC ZINC001263199959 1144360944 /nfs/dbraw/zinc/36/09/44/1144360944.db2.gz WCLYBWPOCHJTKV-KGLIPLIRSA-N 0 3 307.369 2.423 20 30 DEEDHN C=C[C@@](C)(CCOC)COC(=O)C1CCCN(C2CC2)C1=O ZINC001263471530 1144376657 /nfs/dbraw/zinc/37/66/57/1144376657.db2.gz FTQHZHNVKXZKSL-PBHICJAKSA-N 0 3 309.406 2.159 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001263812628 1144398613 /nfs/dbraw/zinc/39/86/13/1144398613.db2.gz QUSRGTYRYIWOSH-NSHDSACASA-N 0 3 312.364 2.460 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)CN(C)Cc1ccccc1 ZINC001263823720 1144401990 /nfs/dbraw/zinc/40/19/90/1144401990.db2.gz VEDARWXMWARQRZ-SFHVURJKSA-N 0 3 315.461 2.227 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1C[C@@H](NCC(=C)Cl)C1 ZINC001263849320 1144410083 /nfs/dbraw/zinc/41/00/83/1144410083.db2.gz DTBMMVPHUQUMBY-KDYLLFBJSA-N 0 3 316.832 2.447 20 30 DEEDHN Cc1cc(C(=O)NC[C@H]2C[C@H](NCC#Cc3ccccc3)C2)on1 ZINC001263854307 1144412293 /nfs/dbraw/zinc/41/22/93/1144412293.db2.gz ZMDYUOOWEOPSSX-QAQDUYKDSA-N 0 3 323.396 2.133 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@H]1CC ZINC001264071431 1144454678 /nfs/dbraw/zinc/45/46/78/1144454678.db2.gz GCALPYGSEZDUHG-RBUKOAKNSA-N 0 3 308.425 2.421 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCCC[C@@H](NCC(=O)NCC)C1 ZINC001264123112 1144475500 /nfs/dbraw/zinc/47/55/00/1144475500.db2.gz ZVNVMXIAIITJBG-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001264365211 1144514303 /nfs/dbraw/zinc/51/43/03/1144514303.db2.gz SSAVSAFBAGYPFN-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@@H](N(CC=C(C)C)CCO)C1 ZINC001264634299 1144582824 /nfs/dbraw/zinc/58/28/24/1144582824.db2.gz MCLJWNHVJNHFEJ-GOSISDBHSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cccc(C)c1Cl ZINC001264667777 1144588617 /nfs/dbraw/zinc/58/86/17/1144588617.db2.gz NTFLDHKAEDLEIH-UHFFFAOYSA-N 0 3 322.836 2.302 20 30 DEEDHN C#CCN(CCCNC(=O)COc1cc(C)ccc1F)C1CC1 ZINC001265161553 1144658011 /nfs/dbraw/zinc/65/80/11/1144658011.db2.gz RKMYJOXJGSHIQH-UHFFFAOYSA-N 0 3 318.392 2.117 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001265196135 1144664491 /nfs/dbraw/zinc/66/44/91/1144664491.db2.gz ZFDYNPOAVACRMJ-LBPRGKRZSA-N 0 3 322.371 2.310 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001265218630 1144669467 /nfs/dbraw/zinc/66/94/67/1144669467.db2.gz JDOSMLFHDLTYFX-BBRMVZONSA-N 0 3 317.433 2.389 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)[C@H](C)c2ccco2)CC1 ZINC001265249504 1144675746 /nfs/dbraw/zinc/67/57/46/1144675746.db2.gz NBJCCKFRWWQMLI-MRXNPFEDSA-N 0 3 319.449 2.083 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN1CCN(CC[C@H](C)F)CC1 ZINC001265263281 1144677643 /nfs/dbraw/zinc/67/76/43/1144677643.db2.gz ZOLVHTFAKVHMBD-DOTOQJQBSA-N 0 3 313.461 2.071 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001265317868 1144692372 /nfs/dbraw/zinc/69/23/72/1144692372.db2.gz YXHBEJIDNIBGNB-MRXNPFEDSA-N 0 3 302.418 2.449 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC001265336114 1144695600 /nfs/dbraw/zinc/69/56/00/1144695600.db2.gz QNAWZPLEUDDZOZ-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN Cc1noc(C)c1CN[C@H](CNC(=O)C#CC(C)(C)C)C1CC1 ZINC001265355010 1144697581 /nfs/dbraw/zinc/69/75/81/1144697581.db2.gz WXBNVUBVYZVGOF-MRXNPFEDSA-N 0 3 317.433 2.325 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2oc(CCC)nc2C)C1 ZINC001265475606 1144705973 /nfs/dbraw/zinc/70/59/73/1144705973.db2.gz NCHTVMOPIUMHCA-SHTZXODSSA-N 0 3 317.433 2.476 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NCc2cc(OC)no2)CC1 ZINC001265738980 1144736160 /nfs/dbraw/zinc/73/61/60/1144736160.db2.gz UIYOQKBNBFEIIY-UHFFFAOYSA-N 0 3 321.421 2.412 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cccc2c1OCC2(C)C ZINC001265875354 1144750265 /nfs/dbraw/zinc/75/02/65/1144750265.db2.gz CRFJXRCBZREIFM-CYBMUJFWSA-N 0 3 300.402 2.088 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001265973383 1144773757 /nfs/dbraw/zinc/77/37/57/1144773757.db2.gz MPYGUTODWMMSQY-INIZCTEOSA-N 0 3 309.413 2.300 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001265973384 1144773767 /nfs/dbraw/zinc/77/37/67/1144773767.db2.gz MPYGUTODWMMSQY-MRXNPFEDSA-N 0 3 309.413 2.300 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2ncc(Cl)n2C)C1 ZINC001265979543 1144776209 /nfs/dbraw/zinc/77/62/09/1144776209.db2.gz ODNPTMBHRCRGFG-CYBMUJFWSA-N 0 3 324.856 2.368 20 30 DEEDHN COCC(=O)N1CCCC[C@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001265988752 1144778050 /nfs/dbraw/zinc/77/80/50/1144778050.db2.gz TVVRHKMBCITAJB-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN Cc1cncc(CN(CCCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001266125662 1144808032 /nfs/dbraw/zinc/80/80/32/1144808032.db2.gz IERDMXHTDIPGFL-AWEZNQCLSA-N 0 3 300.406 2.020 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H](C)Oc1ccccc1F)C1CC1 ZINC001266138411 1144808821 /nfs/dbraw/zinc/80/88/21/1144808821.db2.gz GECCHVZZCORCMH-AWEZNQCLSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCN(CCCNC(=O)C(C)(C)C1CCOCC1)C1CC1 ZINC001266147914 1144809875 /nfs/dbraw/zinc/80/98/75/1144809875.db2.gz HJTAERCNCXQRQZ-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(F)ccc1OC)C1CC1 ZINC001266152237 1144810085 /nfs/dbraw/zinc/81/00/85/1144810085.db2.gz QGCYDDFRTIVASW-UHFFFAOYSA-N 0 3 304.365 2.052 20 30 DEEDHN CC#CCCCC(=O)NCC[C@H](C)NCc1ccc(F)cn1 ZINC001266170779 1144811366 /nfs/dbraw/zinc/81/13/66/1144811366.db2.gz ZNTCALPSLOWQJW-AWEZNQCLSA-N 0 3 305.397 2.399 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001266242888 1144818531 /nfs/dbraw/zinc/81/85/31/1144818531.db2.gz IXUXOCAYCZDHKK-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC001279288566 1144820266 /nfs/dbraw/zinc/82/02/66/1144820266.db2.gz VGJBXASDDAENIP-JFUPDXTOSA-N 0 3 316.449 2.466 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001279360194 1144821130 /nfs/dbraw/zinc/82/11/30/1144821130.db2.gz ISTNHEAACVZMLK-HOCLYGCPSA-N 0 3 324.440 2.134 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)[C@@H](C)COC)CC2)CC1 ZINC001279359891 1144821227 /nfs/dbraw/zinc/82/12/27/1144821227.db2.gz BAYLLXXQEXAIOQ-HOTGVXAUSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)Cc2cccs2)CC1 ZINC001279474702 1144822773 /nfs/dbraw/zinc/82/27/73/1144822773.db2.gz IPHFPKQGXIESBD-UHFFFAOYSA-N 0 3 320.458 2.242 20 30 DEEDHN CCOCCN(C)Cc1ccccc1CNC(=O)C#CC(C)C ZINC001280325001 1144835784 /nfs/dbraw/zinc/83/57/84/1144835784.db2.gz OMDHMDAYUXODSD-UHFFFAOYSA-N 0 3 316.445 2.431 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](OCC)C(C)C)C2)CC1 ZINC001280387745 1144837771 /nfs/dbraw/zinc/83/77/71/1144837771.db2.gz HGJLXPFNQBJLPM-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2cc(C)ccc2F)CCC1 ZINC001280470697 1144841496 /nfs/dbraw/zinc/84/14/96/1144841496.db2.gz BJMLNBWWMIKTRG-UHFFFAOYSA-N 0 3 320.408 2.465 20 30 DEEDHN C#CCNC1(CNC(=O)C(C)(C)c2cccc(F)c2)CCC1 ZINC001280505081 1144843045 /nfs/dbraw/zinc/84/30/45/1144843045.db2.gz BXRRWKVBZLUPJJ-UHFFFAOYSA-N 0 3 302.393 2.365 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001316604025 1144843586 /nfs/dbraw/zinc/84/35/86/1144843586.db2.gz DGZUZAKIYHMUMZ-DOMZBBRYSA-N 0 3 304.438 2.239 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001280757347 1144853365 /nfs/dbraw/zinc/85/33/65/1144853365.db2.gz VGUPMTYDQMUPRO-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CC[C@H]2CCCCO2)CC1 ZINC001280758764 1144853674 /nfs/dbraw/zinc/85/36/74/1144853674.db2.gz FDAMITUYGMBGEX-IAGOWNOFSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001281129870 1144872968 /nfs/dbraw/zinc/87/29/68/1144872968.db2.gz AHDZZZLQBDTABD-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC001281167009 1144875590 /nfs/dbraw/zinc/87/55/90/1144875590.db2.gz IKPQCTJDEQSYCM-LPHOPBHVSA-N 0 3 320.477 2.169 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CN(CC)CC(=O)NCC)CC1 ZINC001281830823 1144915819 /nfs/dbraw/zinc/91/58/19/1144915819.db2.gz MZEYSUCBHBJLMB-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CSCC#N ZINC001281901544 1144918642 /nfs/dbraw/zinc/91/86/42/1144918642.db2.gz MRIFLAKKPNMCSD-NVXWUHKLSA-N 0 3 315.442 2.191 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1coc(C)c1 ZINC001281932449 1144920818 /nfs/dbraw/zinc/92/08/18/1144920818.db2.gz NBXCUEGKIVEBFI-INIZCTEOSA-N 0 3 306.406 2.327 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCc1scnc1C ZINC001282678570 1145123971 /nfs/dbraw/zinc/12/39/71/1145123971.db2.gz WDHULSQIGBLZHU-HNNXBMFYSA-N 0 3 319.474 2.378 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CCCc3sccc3C)[C@@H]2C1 ZINC001282884570 1145187977 /nfs/dbraw/zinc/18/79/77/1145187977.db2.gz DLWDXWXSPFSEDT-PHZGNYQRSA-N 0 3 316.470 2.306 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NCc1cnc(C)nc1 ZINC001283664811 1145570272 /nfs/dbraw/zinc/57/02/72/1145570272.db2.gz FTTVJGUDKFQFFI-DZGCQCFKSA-N 0 3 304.438 2.324 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001283677332 1145577448 /nfs/dbraw/zinc/57/74/48/1145577448.db2.gz BCLNBRARWLXNIA-CYBMUJFWSA-N 0 3 315.392 2.309 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC(F)(F)C(F)(F)F ZINC001283723345 1145618462 /nfs/dbraw/zinc/61/84/62/1145618462.db2.gz KFGFUXWPAPQSLG-VIFPVBQESA-N 0 3 300.271 2.034 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccoc1 ZINC001283861357 1145673058 /nfs/dbraw/zinc/67/30/58/1145673058.db2.gz PDWRUNAMTABFKJ-APWZRJJASA-N 0 3 322.408 2.453 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)CCC2CCCC2)C1 ZINC001283944183 1145721421 /nfs/dbraw/zinc/72/14/21/1145721421.db2.gz DCSRBBBBZLTIAL-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1ccc(CN[C@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)c(C)n1 ZINC001283981320 1145735572 /nfs/dbraw/zinc/73/55/72/1145735572.db2.gz DYYDHJUWTXJSKZ-QAPCUYQASA-N 0 3 313.445 2.437 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H]1C ZINC001284118741 1145802843 /nfs/dbraw/zinc/80/28/43/1145802843.db2.gz BBINVXGCNSTHAS-WMLDXEAASA-N 0 3 319.449 2.362 20 30 DEEDHN C=CCCC(=O)N1C[C@H](NCc2n[nH]c(C(C)C)n2)C(C)(C)C1 ZINC001284274814 1145829509 /nfs/dbraw/zinc/82/95/09/1145829509.db2.gz AQNXUVHDFOYDPD-ZDUSSCGKSA-N 0 3 319.453 2.221 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNCc1cc(C)ccc1F ZINC001284435378 1145855669 /nfs/dbraw/zinc/85/56/69/1145855669.db2.gz HCGONQDXDJOPPD-HNNXBMFYSA-N 0 3 322.424 2.255 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cnnn1C)C(C)(C)C ZINC001284614575 1145879904 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LKEWGHGRVDTUIT-HZPDHXFCSA-N 0 3 300.406 2.403 20 30 DEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C#N)s1 ZINC000328630588 231266996 /nfs/dbraw/zinc/26/69/96/231266996.db2.gz JORLPABQSLPATH-KBPBESRZSA-N 0 3 302.403 2.456 20 30 DEEDHN CC[C@H](C(=O)NCc1ccc(OCC#N)cc1)N(CC)CC ZINC000266780257 529610484 /nfs/dbraw/zinc/61/04/84/529610484.db2.gz AKLZILJEFYRADR-MRXNPFEDSA-N 0 3 303.406 2.326 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1cccc(C#N)c1 ZINC000613388728 362098580 /nfs/dbraw/zinc/09/85/80/362098580.db2.gz DDNRGAPRCOMMTB-KBXCAEBGSA-N 0 3 323.396 2.251 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CCCC3(CC3)C2)cc1 ZINC000613751243 362200482 /nfs/dbraw/zinc/20/04/82/362200482.db2.gz WEDZGTFUMGNMKS-MRXNPFEDSA-N 0 3 300.402 2.368 20 30 DEEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000286656965 219106935 /nfs/dbraw/zinc/10/69/35/219106935.db2.gz ZROPYIBUTTXEMQ-MRXNPFEDSA-N 0 3 315.417 2.448 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](CO)c1ccccc1 ZINC000331335439 530051421 /nfs/dbraw/zinc/05/14/21/530051421.db2.gz UQAKBXMPXUDLBD-HZPDHXFCSA-N 0 3 319.449 2.344 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000447974651 530051848 /nfs/dbraw/zinc/05/18/48/530051848.db2.gz XSJHZHBZPSTVMH-QGZVFWFLSA-N 0 3 313.445 2.458 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000615416049 362605238 /nfs/dbraw/zinc/60/52/38/362605238.db2.gz OKWGLTRGZNBJDN-HOCLYGCPSA-N 0 3 308.447 2.064 20 30 DEEDHN N#Cc1ccncc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272676889 210082145 /nfs/dbraw/zinc/08/21/45/210082145.db2.gz AEYKUXXZLWYPTH-QGZVFWFLSA-N 0 3 308.385 2.132 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC001574962175 1069309126 /nfs/dbraw/zinc/30/91/26/1069309126.db2.gz GWSPDLADNVGVSC-HRCADAONSA-N 0 3 318.417 2.215 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000329172968 539915053 /nfs/dbraw/zinc/91/50/53/539915053.db2.gz AKCJJGIKQCPODC-ZDUSSCGKSA-N 0 3 316.405 2.458 20 30 DEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000329802960 539930110 /nfs/dbraw/zinc/93/01/10/539930110.db2.gz KVSGZNAYUKKDQL-JJXSEGSLSA-N 0 3 309.454 2.180 20 30 DEEDHN CCN1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000595536037 358476846 /nfs/dbraw/zinc/47/68/46/358476846.db2.gz SYORYEQMFLBFSU-MRXNPFEDSA-N 0 3 320.481 2.087 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2)N2CCOCC2)o1 ZINC000174253977 198310737 /nfs/dbraw/zinc/31/07/37/198310737.db2.gz WXWICPBFMCAPSQ-SFHVURJKSA-N 0 3 311.385 2.314 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000174666891 198367422 /nfs/dbraw/zinc/36/74/22/198367422.db2.gz XDCCHLGQTRXXBF-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000617957463 363330039 /nfs/dbraw/zinc/33/00/39/363330039.db2.gz GUEOCDMXQAYALA-DOTOQJQBSA-N 0 3 304.438 2.339 20 30 DEEDHN CN(C)CCOc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000033901286 354161289 /nfs/dbraw/zinc/16/12/89/354161289.db2.gz GSAFDYTWJWIXCA-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000046863413 354294606 /nfs/dbraw/zinc/29/46/06/354294606.db2.gz JBLMFJPPUCQBFU-HUUCEWRRSA-N 0 3 315.417 2.174 20 30 DEEDHN C[C@@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 ZINC000048981885 354357215 /nfs/dbraw/zinc/35/72/15/354357215.db2.gz BXBURMOXVVMBEU-CABCVRRESA-N 0 3 314.433 2.478 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccccc1C#N ZINC000055407290 354497697 /nfs/dbraw/zinc/49/76/97/354497697.db2.gz KLCXZNKYZSGLJP-HUUCEWRRSA-N 0 3 315.417 2.174 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000057171803 354559840 /nfs/dbraw/zinc/55/98/40/354559840.db2.gz YEHSONWYUDMJQG-UHFFFAOYSA-N 0 3 314.385 2.478 20 30 DEEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)on1 ZINC000065930992 354694962 /nfs/dbraw/zinc/69/49/62/354694962.db2.gz HAKBBEYUJPENMR-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 ZINC000066921325 354739584 /nfs/dbraw/zinc/73/95/84/354739584.db2.gz MWNKZQVQCQYRCD-UHFFFAOYSA-N 0 3 310.353 2.077 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nccs2)CC1 ZINC000074877154 191376855 /nfs/dbraw/zinc/37/68/55/191376855.db2.gz AGRPNYCJDNNOCH-UHFFFAOYSA-N 0 3 308.451 2.325 20 30 DEEDHN C=CCN1CCC(NC(=O)CCCOc2cccnc2)CC1 ZINC000080079330 355345962 /nfs/dbraw/zinc/34/59/62/355345962.db2.gz XBJOIFPGTUAVKN-UHFFFAOYSA-N 0 3 303.406 2.007 20 30 DEEDHN N#Cc1cccc(CNC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000089798366 355543515 /nfs/dbraw/zinc/54/35/15/355543515.db2.gz YPAOOUJEILCLAN-WOJBJXKFSA-N 0 3 321.424 2.283 20 30 DEEDHN CC1CCN(C[C@H](O)CNc2cc(C#N)c3ccccc3n2)CC1 ZINC000427372162 540174106 /nfs/dbraw/zinc/17/41/06/540174106.db2.gz JSXXIHCIUOGPIS-MRXNPFEDSA-N 0 3 324.428 2.611 20 30 DEEDHN CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)Cc2ccccc2C1 ZINC000093899838 355691415 /nfs/dbraw/zinc/69/14/15/355691415.db2.gz LPALKCROOADZJD-SFHVURJKSA-N 0 3 319.408 2.479 20 30 DEEDHN COC[C@@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C1CC1 ZINC000183432312 356171885 /nfs/dbraw/zinc/17/18/85/356171885.db2.gz YNKJLTNLMZJYJK-DYDBFVOFSA-N 0 3 321.465 2.320 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000182621577 356134114 /nfs/dbraw/zinc/13/41/14/356134114.db2.gz ZJGOCGQRWCZWSA-KBPBESRZSA-N 0 3 320.462 2.419 20 30 DEEDHN CCC(C)(C)OCCNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000308697407 356410310 /nfs/dbraw/zinc/41/03/10/356410310.db2.gz SHUHPUOTQOHKOQ-OAHLLOKOSA-N 0 3 306.406 2.093 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CNCCOC1CCCCC1 ZINC000320394886 356445547 /nfs/dbraw/zinc/44/55/47/356445547.db2.gz DWNGFLAFIDPAHL-INIZCTEOSA-N 0 3 318.417 2.237 20 30 DEEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccnn1C ZINC000618568514 363529801 /nfs/dbraw/zinc/52/98/01/363529801.db2.gz BUKQUEVACUVPLC-CYBMUJFWSA-N 0 3 310.405 2.006 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1cc(C#N)ncn1 ZINC000383071623 356678969 /nfs/dbraw/zinc/67/89/69/356678969.db2.gz NGWDFZOXVLGNNR-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN C=C[C@H](N[C@H](CN(C)Cc1ccccc1)C(C)C)C(=O)OC ZINC000398155550 356720451 /nfs/dbraw/zinc/72/04/51/356720451.db2.gz QOSMEYFKXAHORQ-DLBZAZTESA-N 0 3 304.434 2.460 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CN1C1CC1 ZINC000578061609 356754664 /nfs/dbraw/zinc/75/46/64/356754664.db2.gz VWDGXQXEFBAMII-MNOVXSKESA-N 0 3 304.419 2.044 20 30 DEEDHN CS[C@@H](CNCc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000578237227 356785264 /nfs/dbraw/zinc/78/52/64/356785264.db2.gz FLUNORIRPNEEIB-ZDUSSCGKSA-N 0 3 303.435 2.468 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCC2(CC#N)CC2)C[C@@H](C)C1 ZINC000580750400 357073989 /nfs/dbraw/zinc/07/39/89/357073989.db2.gz HBNJBHMGAKUWQG-KKUMJFAQSA-N 0 3 304.438 2.052 20 30 DEEDHN C[C@@H]1CC(NCCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000580888172 357096946 /nfs/dbraw/zinc/09/69/46/357096946.db2.gz IRBVHFQGHDXBLN-STQMWFEESA-N 0 3 321.446 2.141 20 30 DEEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1F ZINC000581696373 357231754 /nfs/dbraw/zinc/23/17/54/357231754.db2.gz GZYFOPXEVKACCS-AWEZNQCLSA-N 0 3 302.353 2.399 20 30 DEEDHN CCOc1ccc(OC[C@H](O)CNCC(C)(C)CC#N)cc1 ZINC000581721654 357236451 /nfs/dbraw/zinc/23/64/51/357236451.db2.gz JCRBKMPNGLSKHJ-CQSZACIVSA-N 0 3 306.406 2.354 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ccnc(C#N)n1 ZINC000581895118 357265568 /nfs/dbraw/zinc/26/55/68/357265568.db2.gz TZWFNWSXPRDOGA-UHFFFAOYSA-N 0 3 322.416 2.486 20 30 DEEDHN COC(=O)c1ccc(N[C@@H]2CCN(C3CCCC3)C2)c(C#N)n1 ZINC000584790192 357311270 /nfs/dbraw/zinc/31/12/70/357311270.db2.gz JNCXDCAKHXDRED-GFCCVEGCSA-N 0 3 314.389 2.169 20 30 DEEDHN COC1CCN(CCNc2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000589864017 357502071 /nfs/dbraw/zinc/50/20/71/357502071.db2.gz QNFDHSYERMQGBF-UHFFFAOYSA-N 0 3 324.428 2.360 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(C#N)n1 ZINC000589332935 357464638 /nfs/dbraw/zinc/46/46/38/357464638.db2.gz NQVLRSNCQNHMAB-MGPQQGTHSA-N 0 3 300.406 2.049 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000590680598 357579595 /nfs/dbraw/zinc/57/95/95/357579595.db2.gz DHQFYBZXULDDMW-CQSZACIVSA-N 0 3 324.384 2.164 20 30 DEEDHN N#Cc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000590694369 357583858 /nfs/dbraw/zinc/58/38/58/357583858.db2.gz DZDZFHNGLRYNBY-CQSZACIVSA-N 0 3 316.361 2.132 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000590931372 357646783 /nfs/dbraw/zinc/64/67/83/357646783.db2.gz PAHSEMMNFFTYII-OAHLLOKOSA-N 0 3 318.396 2.371 20 30 DEEDHN N#CC1(CCN2CCN([C@@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000591013105 357659881 /nfs/dbraw/zinc/65/98/81/357659881.db2.gz QUZFQYRKYKHHRV-IAGOWNOFSA-N 0 3 305.466 2.382 20 30 DEEDHN CCCCCCCC[C@H]([NH3+])C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001353832166 1151856378 /nfs/dbraw/zinc/85/63/78/1151856378.db2.gz IVFRIHWKFSFAFU-AWEZNQCLSA-N 0 3 320.437 2.145 20 30 DEEDHN CCCN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCN(C)C1 ZINC000592017616 357816393 /nfs/dbraw/zinc/81/63/93/357816393.db2.gz DWVMNOQVNSVDRP-GPANFISMSA-N 0 3 306.454 2.442 20 30 DEEDHN CCCN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCN(C)C1 ZINC000592017624 357816426 /nfs/dbraw/zinc/81/64/26/357816426.db2.gz DWVMNOQVNSVDRP-UYSNPLJNSA-N 0 3 306.454 2.442 20 30 DEEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000592147788 357841216 /nfs/dbraw/zinc/84/12/16/357841216.db2.gz SDQQZDKTRQAMAX-OAHLLOKOSA-N 0 3 307.781 2.019 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CC)C[C@H]2CCOC2)CC1 ZINC000592351914 357865310 /nfs/dbraw/zinc/86/53/10/357865310.db2.gz JKWSSDRTBXOKEW-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN N#Cc1cnn2cc(CN[C@H]3CCOC4(CCCC4)C3)cnc12 ZINC000592503502 357887751 /nfs/dbraw/zinc/88/77/51/357887751.db2.gz ABSZXHJQVBXKNE-HNNXBMFYSA-N 0 3 311.389 2.182 20 30 DEEDHN N#Cc1cnn2cc(CNC[C@@H]3OCCc4ccccc43)cnc12 ZINC000592506500 357889335 /nfs/dbraw/zinc/88/93/35/357889335.db2.gz YXNVVVOLJZDEGO-KRWDZBQOSA-N 0 3 319.368 2.005 20 30 DEEDHN COCCN(CCc1cncc(C)n1)Cc1ccc(C#N)cc1 ZINC000593000807 357984244 /nfs/dbraw/zinc/98/42/44/357984244.db2.gz AALQJAHGGGKIJT-UHFFFAOYSA-N 0 3 310.401 2.348 20 30 DEEDHN CC[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)C(=O)OC ZINC000593183782 358029135 /nfs/dbraw/zinc/02/91/35/358029135.db2.gz JJNVBTMQKCDYOE-KRWDZBQOSA-N 0 3 315.417 2.064 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000593443864 358079817 /nfs/dbraw/zinc/07/98/17/358079817.db2.gz JZXDXVRSJWYJDQ-HNNXBMFYSA-N 0 3 314.433 2.097 20 30 DEEDHN C=CCC1(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CCCC1 ZINC000666980359 540374715 /nfs/dbraw/zinc/37/47/15/540374715.db2.gz VJIISSGJNYMTHS-INIZCTEOSA-N 0 3 321.465 2.428 20 30 DEEDHN CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1ccc(OC)c(F)c1 ZINC000593617453 358112173 /nfs/dbraw/zinc/11/21/73/358112173.db2.gz MAWDTAHQVACOJF-QMTHXVAHSA-N 0 3 322.336 2.104 20 30 DEEDHN CN(CCN1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1C ZINC000593756425 358137943 /nfs/dbraw/zinc/13/79/43/358137943.db2.gz BJQBOTBMQSYSAJ-UHFFFAOYSA-N 0 3 324.432 2.276 20 30 DEEDHN CN(CCN1CCCCC1)c1nnc(-c2ccc(C#N)cc2)n1C ZINC000593757951 358137978 /nfs/dbraw/zinc/13/79/78/358137978.db2.gz ZUQBUZNMNDSRHN-UHFFFAOYSA-N 0 3 324.432 2.276 20 30 DEEDHN N#Cc1cnc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594198250 358221689 /nfs/dbraw/zinc/22/16/89/358221689.db2.gz TZXRPAQDGWSHRT-KBPBESRZSA-N 0 3 318.808 2.353 20 30 DEEDHN COc1ccc2c(c1)CCCN(C(=O)[C@@H](N)CCCCC#N)C2 ZINC000594434290 358269477 /nfs/dbraw/zinc/26/94/77/358269477.db2.gz MLYHZDRVNPIGNO-KRWDZBQOSA-N 0 3 315.417 2.381 20 30 DEEDHN Cn1ccnc1-c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594441917 358272639 /nfs/dbraw/zinc/27/26/39/358272639.db2.gz YKJLCVYSAHJEJU-HNNXBMFYSA-N 0 3 311.389 2.437 20 30 DEEDHN Cc1ccccc1CN1CCCN(c2ccnc(C#N)n2)CC1 ZINC000594544608 358291737 /nfs/dbraw/zinc/29/17/37/358291737.db2.gz GRJGAEOIRQIVRG-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN Cc1ncc(CNC2CCN(Cc3cccc(C#N)c3)CC2)n1C ZINC000594944649 358365339 /nfs/dbraw/zinc/36/53/39/358365339.db2.gz APGVXDLFXWNMFJ-UHFFFAOYSA-N 0 3 323.444 2.354 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000595783470 358548946 /nfs/dbraw/zinc/54/89/46/358548946.db2.gz AEVPRHASOQJPDC-OAHLLOKOSA-N 0 3 306.454 2.442 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2C)CCOCC1 ZINC000595876277 358569317 /nfs/dbraw/zinc/56/93/17/358569317.db2.gz BIYUGAMPAUQCAX-UHFFFAOYSA-N 0 3 316.401 2.459 20 30 DEEDHN CN(CC1=CCSC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595890151 358573514 /nfs/dbraw/zinc/57/35/14/358573514.db2.gz YNUMWMWMBBUKSU-INIZCTEOSA-N 0 3 318.442 2.097 20 30 DEEDHN C=CCCSCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000595723031 358533091 /nfs/dbraw/zinc/53/30/91/358533091.db2.gz PIJVDZAAGPOFJH-UHFFFAOYSA-N 0 3 320.462 2.223 20 30 DEEDHN CS[C@H]1CN(c2nc(C#N)ccc2C)C[C@@H]1N1CCCC1 ZINC000596194992 358636545 /nfs/dbraw/zinc/63/65/45/358636545.db2.gz CJIJEJRKGIXZPC-GJZGRUSLSA-N 0 3 302.447 2.278 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598063813 359083382 /nfs/dbraw/zinc/08/33/82/359083382.db2.gz JAIPLINSIYZEQP-GOSISDBHSA-N 0 3 314.433 2.350 20 30 DEEDHN N#CC1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000598062651 359083819 /nfs/dbraw/zinc/08/38/19/359083819.db2.gz SEIJSTJQLAPCJZ-UHFFFAOYSA-N 0 3 312.417 2.104 20 30 DEEDHN CCCN1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000598342694 359170319 /nfs/dbraw/zinc/17/03/19/359170319.db2.gz OVNXUTQNCQNLHK-INIZCTEOSA-N 0 3 317.458 2.392 20 30 DEEDHN COc1cc(OC)c(OC)cc1CNC[C@H](O)CC(C)(C)C#N ZINC000598704438 359299148 /nfs/dbraw/zinc/29/91/48/359299148.db2.gz PHRHHIQOYYMRQQ-CYBMUJFWSA-N 0 3 322.405 2.103 20 30 DEEDHN CCC(=O)Nc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598715936 359303221 /nfs/dbraw/zinc/30/32/21/359303221.db2.gz VKEWHWPMWJOPDM-OAHLLOKOSA-N 0 3 303.406 2.425 20 30 DEEDHN CCOc1cc(CNC[C@H](O)CC(C)(C)C#N)ccc1OC ZINC000598718248 359304519 /nfs/dbraw/zinc/30/45/19/359304519.db2.gz CYTOEYHNWANRKD-CQSZACIVSA-N 0 3 306.406 2.484 20 30 DEEDHN COCCOc1cc(C)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598722868 359305329 /nfs/dbraw/zinc/30/53/29/359305329.db2.gz DKPVPXSZFHQNKJ-MRXNPFEDSA-N 0 3 320.433 2.411 20 30 DEEDHN CC(C)N(CC(=O)N1CCCCCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598615958 359262105 /nfs/dbraw/zinc/26/21/05/359262105.db2.gz HKSLXWAIJKDVNS-INIZCTEOSA-N 0 3 323.481 2.400 20 30 DEEDHN COC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000598624462 359265169 /nfs/dbraw/zinc/26/51/69/359265169.db2.gz DATDMHPTKNUADM-GDBMZVCRSA-N 0 3 306.406 2.273 20 30 DEEDHN Cc1ccncc1[C@@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000599360545 359477232 /nfs/dbraw/zinc/47/72/32/359477232.db2.gz CQOOCTYLCPZIFY-ZBFHGGJFSA-N 0 3 311.385 2.352 20 30 DEEDHN CCC(O)(CC)CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599683515 359570965 /nfs/dbraw/zinc/57/09/65/359570965.db2.gz WPCNLWSTCLBQIX-AWEZNQCLSA-N 0 3 309.454 2.200 20 30 DEEDHN CCCN1CC[C@H](NC(=O)Nc2cc(OC)c(C#N)cc2F)C1 ZINC000599811934 359603138 /nfs/dbraw/zinc/60/31/38/359603138.db2.gz XUNOVMOLYGQTDK-LBPRGKRZSA-N 0 3 320.368 2.312 20 30 DEEDHN COCC[C@@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000428653191 237213587 /nfs/dbraw/zinc/21/35/87/237213587.db2.gz VSKPEMXDTFTOID-DLBZAZTESA-N 0 3 316.401 2.023 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CNc1cccc(CN(C)C)c1 ZINC000601935962 360198091 /nfs/dbraw/zinc/19/80/91/360198091.db2.gz VAWYQJBPHWGQPV-AWEZNQCLSA-N 0 3 302.422 2.168 20 30 DEEDHN Cc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)sn1 ZINC000602531803 360421603 /nfs/dbraw/zinc/42/16/03/360421603.db2.gz KQHVWOYBMUIJGW-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN CCCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCCC#N ZINC000602548006 360427166 /nfs/dbraw/zinc/42/71/66/360427166.db2.gz VTPJQDSXEXOTRT-MRXNPFEDSA-N 0 3 303.406 2.455 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1c(C2CC2)cnn1C ZINC000602712400 360512946 /nfs/dbraw/zinc/51/29/46/360512946.db2.gz VIOOJAQIZJGPIA-CYBMUJFWSA-N 0 3 302.422 2.486 20 30 DEEDHN N#Cc1cc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1F ZINC000602891786 360613088 /nfs/dbraw/zinc/61/30/88/360613088.db2.gz PCXKULNHVPIKCZ-IAGOWNOFSA-N 0 3 318.392 2.497 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000668967883 540759654 /nfs/dbraw/zinc/75/96/54/540759654.db2.gz KOGAKOAHCKPENR-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN CCCN1CCN(c2ccc(C#N)cc2COCCOC)CC1 ZINC000603273034 360772647 /nfs/dbraw/zinc/77/26/47/360772647.db2.gz HEJJWNPYRKEYRM-UHFFFAOYSA-N 0 3 317.433 2.253 20 30 DEEDHN C=CCCOCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000272005877 209377574 /nfs/dbraw/zinc/37/75/74/209377574.db2.gz VDSKWUXTJSKGDE-MRXNPFEDSA-N 0 3 319.449 2.399 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCC[C@](O)(CN(C)C)C1)c1ccccc1 ZINC000670378392 540928075 /nfs/dbraw/zinc/92/80/75/540928075.db2.gz YLCYWWJRBNOURH-LPHOPBHVSA-N 0 3 316.445 2.261 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nc(C)ncc2Cl)CC1 ZINC000607901441 361124913 /nfs/dbraw/zinc/12/49/13/361124913.db2.gz GCIJDTFJWGFLGT-UHFFFAOYSA-N 0 3 308.813 2.209 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@H]2CCc3ccccc3C2)C(N)=O)cc1 ZINC000609768669 361338295 /nfs/dbraw/zinc/33/82/95/361338295.db2.gz GZYNOALXBAJEAR-HNAYVOBHSA-N 0 3 319.408 2.479 20 30 DEEDHN C[C@H](C[C@H]1CCOC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619298216 363759945 /nfs/dbraw/zinc/75/99/45/363759945.db2.gz QEWVWJJBEWBKNU-XYPHTWIQSA-N 0 3 311.385 2.172 20 30 DEEDHN Cc1ccccc1-n1nccc1CNC1CCN(CC#N)CC1 ZINC000619426361 363789709 /nfs/dbraw/zinc/78/97/09/363789709.db2.gz XIJNHIDNCQPLIW-UHFFFAOYSA-N 0 3 309.417 2.258 20 30 DEEDHN Cc1nc(NC(=O)C(C)C(F)(F)F)n(-c2ccc(C#N)cc2)n1 ZINC000610389247 361391869 /nfs/dbraw/zinc/39/18/69/361391869.db2.gz NMPIQAAFWAVJTI-MRVPVSSYSA-N 0 3 323.278 2.006 20 30 DEEDHN Cc1cc(C)c(C#N)c(NC[C@@H](O)CN2CCC(C)CC2)n1 ZINC000610550201 361420289 /nfs/dbraw/zinc/42/02/89/361420289.db2.gz LGUFUMXNGIYQIQ-OAHLLOKOSA-N 0 3 302.422 2.075 20 30 DEEDHN COC1CCN(CCNC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000610905726 361490424 /nfs/dbraw/zinc/49/04/24/361490424.db2.gz PWIJJLFQPQFCCO-UHFFFAOYSA-N 0 3 316.405 2.099 20 30 DEEDHN N#Cc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)s1 ZINC000611253993 361562809 /nfs/dbraw/zinc/56/28/09/361562809.db2.gz BWURMYUGVDOSMQ-CQSZACIVSA-N 0 3 305.447 2.306 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000611205295 361548423 /nfs/dbraw/zinc/54/84/23/361548423.db2.gz SNTNMOGVLYOFDF-UKRRQHHQSA-N 0 3 301.390 2.244 20 30 DEEDHN N#CCN1CCC(NCc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000611118781 361530144 /nfs/dbraw/zinc/53/01/44/361530144.db2.gz SKRKSNOIEPNKJX-AWEZNQCLSA-N 0 3 306.435 2.072 20 30 DEEDHN COc1cc(CNC[C@H](C(C)C)N2CCOCC2)ccc1C#N ZINC000281581729 216398281 /nfs/dbraw/zinc/39/82/81/216398281.db2.gz DGTFIAWMABYHRR-QGZVFWFLSA-N 0 3 317.433 2.013 20 30 DEEDHN CS(=O)(=O)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619466003 363805166 /nfs/dbraw/zinc/80/51/66/363805166.db2.gz AKPZXJOTAGWSGK-HNNXBMFYSA-N 0 3 304.415 2.102 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621156482 364285813 /nfs/dbraw/zinc/28/58/13/364285813.db2.gz APELZAQPOZKOPN-INIZCTEOSA-N 0 3 318.417 2.330 20 30 DEEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)CC(N)=O)cc1OC ZINC000623453925 365036822 /nfs/dbraw/zinc/03/68/22/365036822.db2.gz LHXXPDGAJHFESC-JTQLQIEISA-N 0 3 312.797 2.267 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)CCOc1ccc(Cl)cc1 ZINC001422152918 1172350843 /nfs/dbraw/zinc/35/08/43/1172350843.db2.gz PYCRBCAWSLIXLH-CYBMUJFWSA-N 0 3 323.824 2.269 20 30 DEEDHN C=CCN1CCC(Nc2ccnc(-c3nccs3)n2)CC1 ZINC000631109956 368021365 /nfs/dbraw/zinc/02/13/65/368021365.db2.gz URNLLMOSJDACDJ-UHFFFAOYSA-N 0 3 301.419 2.084 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000451599005 243181562 /nfs/dbraw/zinc/18/15/62/243181562.db2.gz MPYDAQCQEYUUTJ-WTTBNOFXSA-N 0 3 302.418 2.228 20 30 DEEDHN CC(C)[C@@H](CO)[C@H](NCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000451603127 243187887 /nfs/dbraw/zinc/18/78/87/243187887.db2.gz WOLHBPCJWVCHEC-SJLPKXTDSA-N 0 3 317.433 2.375 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000451608374 243194277 /nfs/dbraw/zinc/19/42/77/243194277.db2.gz SAKXJJLLRWUASJ-MAZHCROVSA-N 0 3 304.390 2.345 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000275123767 212135106 /nfs/dbraw/zinc/13/51/06/212135106.db2.gz IEFQQNLNNDCDAO-SECBINFHSA-N 0 3 317.336 2.120 20 30 DEEDHN CCOCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000093313134 193229034 /nfs/dbraw/zinc/22/90/34/193229034.db2.gz BTJPDIPIERKJPN-UHFFFAOYSA-N 0 3 321.446 2.405 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453427833 245133581 /nfs/dbraw/zinc/13/35/81/245133581.db2.gz XITBBWUVKJBFFX-CQSZACIVSA-N 0 3 303.454 2.337 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)COc1cccnc1)C(C)C ZINC000264949598 204297610 /nfs/dbraw/zinc/29/76/10/204297610.db2.gz UCVAWDSPRZRYPA-QGZVFWFLSA-N 0 3 317.433 2.275 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000278173801 214004141 /nfs/dbraw/zinc/00/41/41/214004141.db2.gz BPBJOLTZQUTFTF-IAGOWNOFSA-N 0 3 302.418 2.216 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000679482372 541861102 /nfs/dbraw/zinc/86/11/02/541861102.db2.gz CURHTFYZJGFSLZ-DOTOQJQBSA-N 0 3 317.433 2.324 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)C1CCN(CC#C)CC1 ZINC000266061192 205066352 /nfs/dbraw/zinc/06/63/52/205066352.db2.gz IROAWFIIEVVGMS-UHFFFAOYSA-N 0 3 314.360 2.121 20 30 DEEDHN CC[C@H]1CN(c2ccc(Cl)cc2C#N)CCN1C[C@H](C)O ZINC000266411052 205327772 /nfs/dbraw/zinc/32/77/72/205327772.db2.gz QPOWSMKHTKYSNN-WFASDCNBSA-N 0 3 307.825 2.493 20 30 DEEDHN CC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1C[C@H](C)O ZINC000266384826 205308462 /nfs/dbraw/zinc/30/84/62/205308462.db2.gz NLELHIZMKMKUEL-GXTWGEPZSA-N 0 3 307.825 2.493 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000024377434 182379691 /nfs/dbraw/zinc/37/96/91/182379691.db2.gz LZDNVIWJSNMPGI-WDEREUQCSA-N 0 3 309.797 2.391 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)OCC ZINC000456626861 247323282 /nfs/dbraw/zinc/32/32/82/247323282.db2.gz LZOXTIZANYJNSE-BARDWOONSA-N 0 3 310.438 2.262 20 30 DEEDHN CC#CCN(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000457816899 248030276 /nfs/dbraw/zinc/03/02/76/248030276.db2.gz SCTDACHRWRSQRH-UHFFFAOYSA-N 0 3 313.445 2.488 20 30 DEEDHN Cc1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1OCCN(C)C ZINC000458218875 248212832 /nfs/dbraw/zinc/21/28/32/248212832.db2.gz RPTCCSYRXLIMMT-UHFFFAOYSA-N 0 3 312.373 2.388 20 30 DEEDHN C[C@H](CCCc1cccnc1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000459634104 248656188 /nfs/dbraw/zinc/65/61/88/248656188.db2.gz HRRHMAFWJWHUII-KDOFPFPSSA-N 0 3 322.412 2.481 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)/C=C/c2ccccc2)o1 ZINC000492856960 249156455 /nfs/dbraw/zinc/15/64/55/249156455.db2.gz WVHDJRPTQSWWQC-JXMROGBWSA-N 0 3 309.369 2.461 20 30 DEEDHN CCOc1ccccc1CCNCc1cnc2c(C#N)cnn2c1 ZINC000552413255 291719981 /nfs/dbraw/zinc/71/99/81/291719981.db2.gz SOBQNLKGRZAUMF-UHFFFAOYSA-N 0 3 321.384 2.332 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cncc(F)c2)CC1 ZINC000106035028 194181377 /nfs/dbraw/zinc/18/13/77/194181377.db2.gz SPGGBJWUBRZNDS-ONEGZZNKSA-N 0 3 303.381 2.391 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(C)no1)C(C)C ZINC000064219932 184293297 /nfs/dbraw/zinc/29/32/97/184293297.db2.gz RMIPWENZLLSXQD-INIZCTEOSA-N 0 3 320.437 2.481 20 30 DEEDHN CCN1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000157798225 197216909 /nfs/dbraw/zinc/21/69/09/197216909.db2.gz CPACEUIVUZCSGA-UHFFFAOYSA-N 0 3 315.417 2.316 20 30 DEEDHN COCCOC[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000266575269 533113883 /nfs/dbraw/zinc/11/38/83/533113883.db2.gz FMRDPVZTPBQDGC-MRXNPFEDSA-N 0 3 304.390 2.074 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@H](CO)C1CCCCC1 ZINC000541981510 285203808 /nfs/dbraw/zinc/20/38/08/285203808.db2.gz BXIBALPYYCQRPY-CYBMUJFWSA-N 0 3 307.419 2.089 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000543691600 285303180 /nfs/dbraw/zinc/30/31/80/285303180.db2.gz YRWMJJJOASJPFP-MEBBXXQBSA-N 0 3 303.793 2.424 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000120994476 195277128 /nfs/dbraw/zinc/27/71/28/195277128.db2.gz XHTOAZKWPJDLOK-QGZVFWFLSA-N 0 3 302.418 2.158 20 30 DEEDHN COC(=O)COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000339099238 533556932 /nfs/dbraw/zinc/55/69/32/533556932.db2.gz RNJDTCFSYFWIFX-CABCVRRESA-N 0 3 302.374 2.362 20 30 DEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000353774305 133000441 /nfs/dbraw/zinc/00/04/41/133000441.db2.gz HEDNBVXHDSNUSC-BLLLJJGKSA-N 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/nfs/dbraw/zinc/74/65/15/401746515.db2.gz BEIGQYOQWSFBSE-UHFFFAOYSA-N 0 3 305.447 2.464 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(n2ccnc2)CC1 ZINC000111244682 401702809 /nfs/dbraw/zinc/70/28/09/401702809.db2.gz MYLHZGFRSRVETN-HNNXBMFYSA-N 0 3 302.422 2.109 20 30 DEEDHN CO/N=C/c1ccc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc1 ZINC000114377246 401797355 /nfs/dbraw/zinc/79/73/55/401797355.db2.gz VOBHWJIMIKAKIH-YDDPGSGASA-N 0 3 305.422 2.373 20 30 DEEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H](N4CCCC4)C3)o2)cc1 ZINC000075685353 401766977 /nfs/dbraw/zinc/76/69/77/401766977.db2.gz WYZJVJRQIMUPRT-INIZCTEOSA-N 0 3 323.400 2.278 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ccnc(C(N)=O)c1)C(C)C ZINC000114184394 401793818 /nfs/dbraw/zinc/79/38/18/401793818.db2.gz FTDJYUKPUUTRFJ-INIZCTEOSA-N 0 3 302.422 2.291 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000130423170 401831483 /nfs/dbraw/zinc/83/14/83/401831483.db2.gz WYYPCVWTTGMCJA-UHFFFAOYSA-N 0 3 303.406 2.299 20 30 DEEDHN COc1ccc(OC)c([C@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000079720702 401879959 /nfs/dbraw/zinc/87/99/59/401879959.db2.gz LGELXAFZPVKFLK-QGZVFWFLSA-N 0 3 312.369 2.399 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN(C)CC12CCCCC2 ZINC000081598786 401897373 /nfs/dbraw/zinc/89/73/73/401897373.db2.gz VLQRICADSZEFLE-UHFFFAOYSA-N 0 3 307.482 2.361 20 30 DEEDHN CC(C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000042947168 401935984 /nfs/dbraw/zinc/93/59/84/401935984.db2.gz GSXQWSNUMGLVKI-UHFFFAOYSA-N 0 3 302.422 2.287 20 30 DEEDHN CC(C)CCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000085262473 401913200 /nfs/dbraw/zinc/91/32/00/401913200.db2.gz SSOLNCFRIZCWHJ-UHFFFAOYSA-N 0 3 319.449 2.326 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCc2cccc(C#N)c2)C1 ZINC000046040402 401964962 /nfs/dbraw/zinc/96/49/62/401964962.db2.gz KFHMCEMFPFETBP-CQSZACIVSA-N 0 3 300.406 2.089 20 30 DEEDHN C#CCOCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000119959334 401972812 /nfs/dbraw/zinc/97/28/12/401972812.db2.gz BFWOOKJLMHDRGI-UHFFFAOYSA-N 0 3 314.429 2.116 20 30 DEEDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000049969590 402023695 /nfs/dbraw/zinc/02/36/95/402023695.db2.gz VJIAVPSDCHRZPZ-HNNXBMFYSA-N 0 3 314.433 2.159 20 30 DEEDHN N#Cc1c(Cl)nsc1N1CCN(c2ccncc2)CC1 ZINC000048546354 402001893 /nfs/dbraw/zinc/00/18/93/402001893.db2.gz GRJSZJAJFVJNJK-UHFFFAOYSA-N 0 3 305.794 2.390 20 30 DEEDHN COc1ccc(CN2CC[C@@H](CO)C2)cc1OCCCC#N ZINC000092764697 402008300 /nfs/dbraw/zinc/00/83/00/402008300.db2.gz FXQRIAIIAIMLBX-OAHLLOKOSA-N 0 3 304.390 2.192 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@H](C(=O)NCCC)C2)cc1 ZINC000092734166 402008465 /nfs/dbraw/zinc/00/84/65/402008465.db2.gz TWYXTSXWCQYSLO-QGZVFWFLSA-N 0 3 314.429 2.437 20 30 DEEDHN C#CCOCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000152151744 402078253 /nfs/dbraw/zinc/07/82/53/402078253.db2.gz HGWURJZYQFNANK-INIZCTEOSA-N 0 3 314.429 2.368 20 30 DEEDHN CCn1nccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122820605 402096423 /nfs/dbraw/zinc/09/64/23/402096423.db2.gz OBNVCLMBFDGDLE-UHFFFAOYSA-N 0 3 323.444 2.483 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@]1(C)CCOC1)C(C)C ZINC000122873774 402099217 /nfs/dbraw/zinc/09/92/17/402099217.db2.gz IITGGGMPEFIYES-WBVHZDCISA-N 0 3 309.454 2.163 20 30 DEEDHN C=CCOc1cccc(CNC2(CC(=O)OC)CCOCC2)c1 ZINC000152559295 402099997 /nfs/dbraw/zinc/09/99/97/402099997.db2.gz DXMJXVMBBHWYRQ-UHFFFAOYSA-N 0 3 319.401 2.453 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@@H]1CCO ZINC000068046635 402182886 /nfs/dbraw/zinc/18/28/86/402182886.db2.gz FSESYQQQBZYLFR-QZTJIDSGSA-N 0 3 319.445 2.392 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C#N)cn1 ZINC000107568004 402235484 /nfs/dbraw/zinc/23/54/84/402235484.db2.gz FOZOVHLWIKXJJZ-HZSPNIEDSA-N 0 3 300.406 2.049 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ncccc2F)CC1 ZINC000155719225 402265465 /nfs/dbraw/zinc/26/54/65/402265465.db2.gz YTNBWKNUFWGQRF-UHFFFAOYSA-N 0 3 306.385 2.060 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000106040711 402211939 /nfs/dbraw/zinc/21/19/39/402211939.db2.gz UAFKQKAIGRFUOH-XDHOZWIPSA-N 0 3 315.417 2.437 20 30 DEEDHN C#CCN(C[C@@H](O)COc1ccc2c(c1)OCO2)C1CCCC1 ZINC000155878560 402269923 /nfs/dbraw/zinc/26/99/23/402269923.db2.gz GCAOPFJMSNPITE-OAHLLOKOSA-N 0 3 317.385 2.033 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CN1C1CC1 ZINC000177047228 402363580 /nfs/dbraw/zinc/36/35/80/402363580.db2.gz PZLGMKVETLYLFG-TZMCWYRMSA-N 0 3 315.442 2.392 20 30 DEEDHN Cn1cnc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cnc21 ZINC000185726308 402372060 /nfs/dbraw/zinc/37/20/60/402372060.db2.gz DATMFDWGOOZESO-NSHDSACASA-N 0 3 316.324 2.335 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000177528611 402412930 /nfs/dbraw/zinc/41/29/30/402412930.db2.gz DZTJQHPDFWOGOW-GJZGRUSLSA-N 0 3 300.406 2.236 20 30 DEEDHN C#CCOc1ccc(CNCCNC(=O)OC(C)(C)C)cc1 ZINC000177574393 402416974 /nfs/dbraw/zinc/41/69/74/402416974.db2.gz OWKQDSAYTFAAJQ-UHFFFAOYSA-N 0 3 304.390 2.313 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)nc2C)CC1 ZINC000178043657 402454903 /nfs/dbraw/zinc/45/49/03/402454903.db2.gz CULIISANXMTPJH-UHFFFAOYSA-N 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/nfs/dbraw/zinc/81/13/18/402811318.db2.gz QZUIEGZCDNMBAR-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN C[C@H](C(=O)NCc1ccc(OCC#N)cc1)N1CCCCCC1 ZINC000175948674 402844000 /nfs/dbraw/zinc/84/40/00/402844000.db2.gz ZGTZSCPTMFMJDQ-OAHLLOKOSA-N 0 3 315.417 2.470 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN[C@@H](CO)c2ccccc2)c1 ZINC000183663205 402786403 /nfs/dbraw/zinc/78/64/03/402786403.db2.gz HDGOZGDSBACXST-KRWDZBQOSA-N 0 3 309.369 2.210 20 30 DEEDHN N#CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000278064333 402852526 /nfs/dbraw/zinc/85/25/26/402852526.db2.gz WPZRDHRFFWXAMS-OAHLLOKOSA-N 0 3 313.401 2.336 20 30 DEEDHN CCN(C[C@H](O)CO[C@H](C)COC)[C@H](C)c1ccc(C#N)cc1 ZINC000278127543 402858088 /nfs/dbraw/zinc/85/80/88/402858088.db2.gz VSKVFLCXXMZOHZ-RKVPGOIHSA-N 0 3 320.433 2.354 20 30 DEEDHN COC[C@@H](NCc1ccc(N(C)CCC#N)cc1)[C@H]1CCCO1 ZINC000278543631 402867933 /nfs/dbraw/zinc/86/79/33/402867933.db2.gz AHSDSRQMSOGXRH-QZTJIDSGSA-N 0 3 317.433 2.320 20 30 DEEDHN COC[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279463695 402945236 /nfs/dbraw/zinc/94/52/36/402945236.db2.gz USLWUKOBBWQFII-AWEZNQCLSA-N 0 3 313.405 2.325 20 30 DEEDHN C=CCCCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000279520478 402951223 /nfs/dbraw/zinc/95/12/23/402951223.db2.gz KGBJRFHRFQPHJG-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000279520480 402951311 /nfs/dbraw/zinc/95/13/11/402951311.db2.gz KGBJRFHRFQPHJG-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN Cc1ncc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000279597752 402959880 /nfs/dbraw/zinc/95/98/80/402959880.db2.gz RXHUHIXOHLLDSO-CQSZACIVSA-N 0 3 310.382 2.322 20 30 DEEDHN CC[C@]1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279842743 402964014 /nfs/dbraw/zinc/96/40/14/402964014.db2.gz AHIBHPZGTNIREE-SJLPKXTDSA-N 0 3 311.385 2.268 20 30 DEEDHN COCCN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279178775 402912775 /nfs/dbraw/zinc/91/27/75/402912775.db2.gz BEFVJYNPTGBTRW-QGZVFWFLSA-N 0 3 313.401 2.372 20 30 DEEDHN COCCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280124400 402967392 /nfs/dbraw/zinc/96/73/92/402967392.db2.gz UUNPMYRBAADBRF-MRXNPFEDSA-N 0 3 313.401 2.419 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccc(C#N)cc1 ZINC000272358872 402927772 /nfs/dbraw/zinc/92/77/72/402927772.db2.gz FDFCOAZXPYISDK-IAOVAPTHSA-N 0 3 312.417 2.355 20 30 DEEDHN N#Cc1ccc(NCc2ccccc2CN2CC[C@H](O)C2)nc1 ZINC000273264035 402988612 /nfs/dbraw/zinc/98/86/12/402988612.db2.gz WGCNSGANKQIRBV-KRWDZBQOSA-N 0 3 308.385 2.132 20 30 DEEDHN C#CCCOc1ccc(CNCC2([S@](C)=O)CCC2)cc1 ZINC000280682095 403026516 /nfs/dbraw/zinc/02/65/16/403026516.db2.gz QTZYPZXEKOTMAY-NRFANRHFSA-N 0 3 305.443 2.480 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280304272 402985841 /nfs/dbraw/zinc/98/58/41/402985841.db2.gz NALCBNRVVCULRV-ZWKOTPCHSA-N 0 3 324.428 2.230 20 30 DEEDHN CC(C)CN1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280967702 403054783 /nfs/dbraw/zinc/05/47/83/403054783.db2.gz YWJBYLCBOMBDBE-GOSISDBHSA-N 0 3 324.428 2.041 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)CCN(C)C1CC1 ZINC000274450327 403056734 /nfs/dbraw/zinc/05/67/34/403056734.db2.gz DCJDJFWIKZPMJX-UHFFFAOYSA-N 0 3 302.378 2.125 20 30 DEEDHN CN(C)CC1(NC(=O)Nc2cccc(OCC#N)c2)CCC1 ZINC000281437727 403068474 /nfs/dbraw/zinc/06/84/74/403068474.db2.gz RNNWDAFYIURHMU-UHFFFAOYSA-N 0 3 302.378 2.195 20 30 DEEDHN COc1cc(CNCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000281634007 403077183 /nfs/dbraw/zinc/07/71/83/403077183.db2.gz IMVGZNAWQUMVQG-HUUCEWRRSA-N 0 3 317.433 2.156 20 30 DEEDHN C=CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000274686684 403078325 /nfs/dbraw/zinc/07/83/25/403078325.db2.gz YQUMHPMEXSQIDY-QGZVFWFLSA-N 0 3 301.434 2.056 20 30 DEEDHN CC(C)(CCCO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281696580 403082617 /nfs/dbraw/zinc/08/26/17/403082617.db2.gz VLQKVQMHPXWYHT-MRXNPFEDSA-N 0 3 313.401 2.155 20 30 DEEDHN CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268471888 403086603 /nfs/dbraw/zinc/08/66/03/403086603.db2.gz IFFRBSXBZYHZGV-MRXNPFEDSA-N 0 3 308.385 2.233 20 30 DEEDHN CCC[C@@H](CCO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281748563 403088156 /nfs/dbraw/zinc/08/81/56/403088156.db2.gz YERICSSEZQDEPU-IRXDYDNUSA-N 0 3 313.401 2.155 20 30 DEEDHN C=CCc1cc(CN(CCO)C2CCOCC2)cc(OC)c1O ZINC000275687378 403115588 /nfs/dbraw/zinc/11/55/88/403115588.db2.gz AJTRSEFCKLDUFC-UHFFFAOYSA-N 0 3 321.417 2.103 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000269100482 403123625 /nfs/dbraw/zinc/12/36/25/403123625.db2.gz RTFDZGPEDOUFOA-UONOGXRCSA-N 0 3 300.362 2.387 20 30 DEEDHN CO/N=C/C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000283020018 403165002 /nfs/dbraw/zinc/16/50/02/403165002.db2.gz LWTWNEZRPUHRHZ-CXDFQFJYSA-N 0 3 303.406 2.208 20 30 DEEDHN COc1cc(CN2CCC[C@H](C3OCCO3)C2)ccc1C#N ZINC000282161534 403128274 /nfs/dbraw/zinc/12/82/74/403128274.db2.gz DKVCWCCVUKRKDS-HNNXBMFYSA-N 0 3 302.374 2.152 20 30 DEEDHN C=CCCN(C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000276492802 403180374 /nfs/dbraw/zinc/18/03/74/403180374.db2.gz VBZNOICJNPLBAV-UHFFFAOYSA-N 0 3 318.417 2.096 20 30 DEEDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(OCC#N)cc1 ZINC000284079429 403243595 /nfs/dbraw/zinc/24/35/95/403243595.db2.gz LIZUGRKZZDMDHM-KBPBESRZSA-N 0 3 322.430 2.064 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)CCCCc1ccccc1 ZINC000285127628 403278434 /nfs/dbraw/zinc/27/84/34/403278434.db2.gz OEANVGSKQYCKRT-AWEZNQCLSA-N 0 3 309.431 2.115 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285388048 403285383 /nfs/dbraw/zinc/28/53/83/403285383.db2.gz BTJKAYYGRZCPEK-OAHLLOKOSA-N 0 3 303.381 2.185 20 30 DEEDHN Cc1ccc([C@H](O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292140829 403303753 /nfs/dbraw/zinc/30/37/53/403303753.db2.gz JKZURKYDLRQWMC-ZWKOTPCHSA-N 0 3 323.396 2.448 20 30 DEEDHN Cc1ccc(CNCCn2cnc(C#N)n2)cc1Br ZINC000285562658 403328152 /nfs/dbraw/zinc/32/81/52/403328152.db2.gz RSCOSMMFSHHNRX-UHFFFAOYSA-N 0 3 320.194 2.011 20 30 DEEDHN Cc1cc(NCc2ccccc2CN2CC[C@H](O)C2)cc(C#N)n1 ZINC000342850186 403371412 /nfs/dbraw/zinc/37/14/12/403371412.db2.gz LVTQAYLWDIURIV-IBGZPJMESA-N 0 3 322.412 2.440 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)c3ccco3)C2)C1 ZINC000339168519 403372205 /nfs/dbraw/zinc/37/22/05/403372205.db2.gz HPQMGEMONZLNQF-QLFBSQMISA-N 0 3 301.390 2.414 20 30 DEEDHN C[C@@H](CCC#N)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000298636811 403429356 /nfs/dbraw/zinc/42/93/56/403429356.db2.gz WKIJFJMYRWMPTA-SFHVURJKSA-N 0 3 314.477 2.428 20 30 DEEDHN C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)CN(C)C)cc1OC ZINC000286893577 403548491 /nfs/dbraw/zinc/54/84/91/403548491.db2.gz GJYFTHRJSOERQR-PLWJUESGSA-N 0 3 318.417 2.340 20 30 DEEDHN N#Cc1ccc(NC(=O)N2CCCNCC2)cc1Br ZINC000332323489 403550432 /nfs/dbraw/zinc/55/04/32/403550432.db2.gz PEJNWPCULMFPLW-UHFFFAOYSA-N 0 3 323.194 2.148 20 30 DEEDHN COc1ccccc1NC(=O)C1CCN(C(=O)C(C)C#N)CC1 ZINC000345846050 403508237 /nfs/dbraw/zinc/50/82/37/403508237.db2.gz NUQYPJDWTFJWQC-GFCCVEGCSA-N 0 3 315.373 2.032 20 30 DEEDHN C[C@@H](CC(N)=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000345854296 403511037 /nfs/dbraw/zinc/51/10/37/403511037.db2.gz MXRFOQVEUVYRMX-AWEZNQCLSA-N 0 3 323.396 2.491 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(F)(F)c1c(F)cccc1F ZINC000293877529 403587977 /nfs/dbraw/zinc/58/79/77/403587977.db2.gz CITUNVIQLRDCKM-UHFFFAOYSA-N 0 3 316.298 2.128 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000343434224 403588860 /nfs/dbraw/zinc/58/88/60/403588860.db2.gz WODCCCVXGZODNC-MRXNPFEDSA-N 0 3 319.380 2.187 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCCC2(CCCCC2)CC1 ZINC000346656561 403597304 /nfs/dbraw/zinc/59/73/04/403597304.db2.gz GKTTZLYOSITKAB-UHFFFAOYSA-N 0 3 307.438 2.435 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000293778219 403561975 /nfs/dbraw/zinc/56/19/75/403561975.db2.gz ZCLOMNJYIADGRA-UHFFFAOYSA-N 0 3 301.386 2.428 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)ccc1Br ZINC000293856437 403582531 /nfs/dbraw/zinc/58/25/31/403582531.db2.gz AWZBLIUNSXGCJN-UHFFFAOYSA-N 0 3 323.234 2.442 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)SCc1ccccc1 ZINC000293856343 403582793 /nfs/dbraw/zinc/58/27/93/403582793.db2.gz AULNYWUKDADERD-OAHLLOKOSA-N 0 3 304.459 2.380 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000343570835 403644143 /nfs/dbraw/zinc/64/41/43/403644143.db2.gz AMYHPYAFWCYDLD-ZBFHGGJFSA-N 0 3 315.417 2.316 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)ncn3C)nc(C)n1 ZINC000347348707 403674662 /nfs/dbraw/zinc/67/46/62/403674662.db2.gz VICZLBPZMPTMEV-CYBMUJFWSA-N 0 3 305.341 2.470 20 30 DEEDHN CC[C@H](CNC(=O)NCCCC#N)N1CCc2ccccc2C1 ZINC000343655270 403680584 /nfs/dbraw/zinc/68/05/84/403680584.db2.gz OPAQMDUJCDHKEE-QGZVFWFLSA-N 0 3 314.433 2.426 20 30 DEEDHN N#Cc1cccc(CN2CCN(CC3CCOCC3)CC2)c1F ZINC000340907781 403693090 /nfs/dbraw/zinc/69/30/90/403693090.db2.gz PYXRYLMQAOTLTK-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN CC(=O)c1ccc(C#N)cc1N1CCC(OCCN(C)C)CC1 ZINC000347414930 403700967 /nfs/dbraw/zinc/70/09/67/403700967.db2.gz NYMQMUKFRQLJOS-UHFFFAOYSA-N 0 3 315.417 2.308 20 30 DEEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OC[C@H]2CCCO2)c1 ZINC000343707248 403701717 /nfs/dbraw/zinc/70/17/17/403701717.db2.gz OGINYKFQAZISMA-UKRRQHHQSA-N 0 3 302.374 2.329 20 30 DEEDHN CCN(CCNC(=O)CSc1ccc(C#N)cc1)C1CC1 ZINC000343778220 403729167 /nfs/dbraw/zinc/72/91/67/403729167.db2.gz KIRMRRIQTGLXIA-UHFFFAOYSA-N 0 3 303.431 2.251 20 30 DEEDHN C[C@@H]1CN(c2c(C#N)nnc3ccccc32)CCN(C2CC2)C1 ZINC000294864963 403736638 /nfs/dbraw/zinc/73/66/38/403736638.db2.gz DLKBHQPOAWRXGS-ZDUSSCGKSA-N 0 3 307.401 2.422 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000343836145 403752288 /nfs/dbraw/zinc/75/22/88/403752288.db2.gz VCWSYACKXFKUFY-GUYCJALGSA-N 0 3 300.402 2.464 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000343836146 403752656 /nfs/dbraw/zinc/75/26/56/403752656.db2.gz VCWSYACKXFKUFY-SUMWQHHRSA-N 0 3 300.402 2.464 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000295199959 403794148 /nfs/dbraw/zinc/79/41/48/403794148.db2.gz VXZYGRXHIIKBBA-RDTXWAMCSA-N 0 3 312.413 2.301 20 30 DEEDHN CCCCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C1(C)C ZINC000347681260 403803393 /nfs/dbraw/zinc/80/33/93/403803393.db2.gz BISAKCXUAVRHGJ-RRFJBIMHSA-N 0 3 309.454 2.320 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)CC(C)(C)C)CC1 ZINC000305159028 403856445 /nfs/dbraw/zinc/85/64/45/403856445.db2.gz AWSDXAPCOIWRGF-HNNXBMFYSA-N 0 3 311.470 2.123 20 30 DEEDHN C=CCCCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411480334 403867296 /nfs/dbraw/zinc/86/72/96/403867296.db2.gz HYDXNESKVSVFJR-UHFFFAOYSA-N 0 3 303.406 2.078 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(CCC)CCc1cccs1 ZINC000411555484 403893486 /nfs/dbraw/zinc/89/34/86/403893486.db2.gz SAYSRSANDREVEO-CYBMUJFWSA-N 0 3 323.462 2.403 20 30 DEEDHN COC(=O)CC1(CN(C)CCOCc2ccc(C#N)cc2)CC1 ZINC000344095431 403906811 /nfs/dbraw/zinc/90/68/11/403906811.db2.gz ATUMWCFEHUOYOL-UHFFFAOYSA-N 0 3 316.401 2.350 20 30 DEEDHN C=CCN(C)CCN(CC)CCc1nc2ccccc2c(=O)[nH]1 ZINC000411638826 403921428 /nfs/dbraw/zinc/92/14/28/403921428.db2.gz HXQZSPGXPAXVLO-UHFFFAOYSA-N 0 3 314.433 2.318 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)C[C@@H]1CC=CCC1 ZINC000362263275 403939282 /nfs/dbraw/zinc/93/92/82/403939282.db2.gz RRYCDGRMSYKKKS-IAGOWNOFSA-N 0 3 321.465 2.299 20 30 DEEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000289827775 404002739 /nfs/dbraw/zinc/00/27/39/404002739.db2.gz UGVRVJXDIMYRHF-CQSZACIVSA-N 0 3 310.319 2.168 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(C2OCCO2)s1 ZINC000289873540 404006022 /nfs/dbraw/zinc/00/60/22/404006022.db2.gz WIFIMPBMSYBODS-SMDDNHRTSA-N 0 3 310.419 2.259 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc(C2OCCO2)s1 ZINC000289939835 404009562 /nfs/dbraw/zinc/00/95/62/404009562.db2.gz ZKAGDYNYMAYKEV-YPMHNXCESA-N 0 3 310.419 2.259 20 30 DEEDHN CC(C#N)C(=O)N1C[C@@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000348067585 404029598 /nfs/dbraw/zinc/02/95/98/404029598.db2.gz DCDASOBNUUAFSA-BTJLNZGRSA-N 0 3 314.389 2.062 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1 ZINC000344310046 404046572 /nfs/dbraw/zinc/04/65/72/404046572.db2.gz GURGFTXXTGMMKX-ROUUACIJSA-N 0 3 313.445 2.200 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000348398109 404065579 /nfs/dbraw/zinc/06/55/79/404065579.db2.gz HLZPTGHZOUPMGK-XKQJLSEDSA-N 0 3 311.385 2.172 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCC[C@H]1OC(F)F ZINC000348459792 404070579 /nfs/dbraw/zinc/07/05/79/404070579.db2.gz SNYDSESQLWSURO-RWMBFGLXSA-N 0 3 302.365 2.325 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000567263667 292301392 /nfs/dbraw/zinc/30/13/92/292301392.db2.gz BMAZNYQTFFIZGD-SWLSCSKDSA-N 0 3 302.353 2.255 20 30 DEEDHN Cn1cncc1[C@@H]1C[C@@H](NC(=O)C23CCCN2CCC3)CCO1 ZINC000328782514 404149376 /nfs/dbraw/zinc/14/93/76/404149376.db2.gz NFJRVQTUQZRJCT-ZFWWWQNUSA-N 0 3 318.421 2.225 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)CN1C1CC1 ZINC000328778785 404149932 /nfs/dbraw/zinc/14/99/32/404149932.db2.gz LYQMKKQQYVOQNE-HTQZYQBOSA-N 0 3 302.300 2.358 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n[n-]2)C[N@@H+]1C1CC1 ZINC000328778785 404149939 /nfs/dbraw/zinc/14/99/39/404149939.db2.gz LYQMKKQQYVOQNE-HTQZYQBOSA-N 0 3 302.300 2.358 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n[n-]2)C[N@H+]1C1CC1 ZINC000328778785 404149947 /nfs/dbraw/zinc/14/99/47/404149947.db2.gz LYQMKKQQYVOQNE-HTQZYQBOSA-N 0 3 302.300 2.358 20 30 DEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCCO1 ZINC000328801349 404154572 /nfs/dbraw/zinc/15/45/72/404154572.db2.gz ZEALBXONFCUMHB-MRXNPFEDSA-N 0 3 304.390 2.410 20 30 DEEDHN C[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)S(C)(=O)=O ZINC000567343612 292306859 /nfs/dbraw/zinc/30/68/59/292306859.db2.gz XHWNKBKTPMZDHO-MLGOLLRUSA-N 0 3 306.431 2.348 20 30 DEEDHN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)C2)[nH]n1 ZINC000328762402 404145470 /nfs/dbraw/zinc/14/54/70/404145470.db2.gz YRQHVTPNIPREDB-RRFJBIMHSA-N 0 3 319.453 2.294 20 30 DEEDHN C[C@@H](C[S@](C)=O)N(C)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290551562 404216467 /nfs/dbraw/zinc/21/64/67/404216467.db2.gz ZBRKTSIGMAUKNR-FPTDNZKUSA-N 0 3 319.474 2.226 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)C[C@H](C)O ZINC000352211074 404217776 /nfs/dbraw/zinc/21/77/76/404217776.db2.gz IVZKRKURRZBIES-KBPBESRZSA-N 0 3 310.463 2.354 20 30 DEEDHN CC(=O)N1CCC(NC(=O)CN2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000328859592 404163140 /nfs/dbraw/zinc/16/31/40/404163140.db2.gz LEWUZEMKAGDTDO-CVEARBPZSA-N 0 3 321.465 2.464 20 30 DEEDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000328916011 404172150 /nfs/dbraw/zinc/17/21/50/404172150.db2.gz ADOIFOHDOJZTPL-OWCLPIDISA-N 0 3 323.481 2.222 20 30 DEEDHN CC1CCC(O)(CN2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000355078803 404202885 /nfs/dbraw/zinc/20/28/85/404202885.db2.gz IIZBGWYXXXPMEJ-UHFFFAOYSA-N 0 3 314.433 2.016 20 30 DEEDHN C[C@H]1[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CCCN1C ZINC000355082393 404206984 /nfs/dbraw/zinc/20/69/84/404206984.db2.gz MDMPEACFPYXTFD-XJKSGUPXSA-N 0 3 312.417 2.329 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000296445883 404252433 /nfs/dbraw/zinc/25/24/33/404252433.db2.gz UNHMPDNGCNKMOA-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000329222680 404269789 /nfs/dbraw/zinc/26/97/89/404269789.db2.gz WUPSRJKJEVZPEY-LBPRGKRZSA-N 0 3 318.377 2.241 20 30 DEEDHN COC(=O)c1cn([C@H]2CCCN(CCCC(C)(C)C#N)C2)nn1 ZINC000364001261 404280696 /nfs/dbraw/zinc/28/06/96/404280696.db2.gz LIWWHMBFLUSVDD-ZDUSSCGKSA-N 0 3 319.409 2.032 20 30 DEEDHN CC(C)(C)c1cnc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)o1 ZINC000329278897 404287952 /nfs/dbraw/zinc/28/79/52/404287952.db2.gz LKIQYDRCVWXANP-LLVKDONJSA-N 0 3 306.410 2.212 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000344758220 404353652 /nfs/dbraw/zinc/35/36/52/404353652.db2.gz JXCZWZVSVGNYPY-GFCCVEGCSA-N 0 3 302.378 2.125 20 30 DEEDHN O=C(NC1CCN(C(=O)C2CC2)CC1)[C@@H](C1CC1)N1CCCC1 ZINC000329498587 404355905 /nfs/dbraw/zinc/35/59/05/404355905.db2.gz GWRXOIRBUAJHNO-MRXNPFEDSA-N 0 3 319.449 2.218 20 30 DEEDHN C[C@@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)[C@H]1CCCOC1 ZINC000329388867 404323215 /nfs/dbraw/zinc/32/32/15/404323215.db2.gz ROECVYURYABCKT-QXSJWSMHSA-N 0 3 311.470 2.426 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](O)Cc2ccccc2Cl)CC1 ZINC000356291863 404427074 /nfs/dbraw/zinc/42/70/74/404427074.db2.gz YCOCDGIZDKMQBH-INIZCTEOSA-N 0 3 322.836 2.010 20 30 DEEDHN CCC[C@]1(CO)CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000329556067 404374516 /nfs/dbraw/zinc/37/45/16/404374516.db2.gz BPNATPHFAYIIFY-VBQJREDUSA-N 0 3 309.454 2.010 20 30 DEEDHN N#Cc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c[nH]1 ZINC000352455118 404382625 /nfs/dbraw/zinc/38/26/25/404382625.db2.gz FMISYJUIGBFGGZ-UHFFFAOYSA-N 0 3 324.384 2.095 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C(=O)N[C@@H](C)C3=CCN(C)CC3)C2)c1 ZINC000329620232 404395452 /nfs/dbraw/zinc/39/54/52/404395452.db2.gz RCESBZHCFLNGII-GOEBONIOSA-N 0 3 317.437 2.003 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H](C)C3=CCN(C)CC3)C2)c1 ZINC000329620232 404395464 /nfs/dbraw/zinc/39/54/64/404395464.db2.gz RCESBZHCFLNGII-GOEBONIOSA-N 0 3 317.437 2.003 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCC[C@@H]2CCO[C@H](C)C2)C1 ZINC000329625749 404398522 /nfs/dbraw/zinc/39/85/22/404398522.db2.gz GMGGCFKFYCDANI-BZUAXINKSA-N 0 3 311.470 2.427 20 30 DEEDHN CCN(CCN1CCCCCC1)S(=O)(=O)CCCCC#N ZINC000344889266 404426399 /nfs/dbraw/zinc/42/63/99/404426399.db2.gz CHPSPHPZTQJROP-UHFFFAOYSA-N 0 3 315.483 2.208 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345035222 404510265 /nfs/dbraw/zinc/51/02/65/404510265.db2.gz TUMMSEMDBYQEQG-DGCLKSJQSA-N 0 3 302.378 2.171 20 30 DEEDHN C[C@@H]1C[C@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)CC(=O)N1 ZINC000330000627 404521017 /nfs/dbraw/zinc/52/10/17/404521017.db2.gz WTUPDABUNQZZNN-KGLIPLIRSA-N 0 3 324.469 2.114 20 30 DEEDHN CCc1nc(C(=O)NCC2(N3CCCC3)CCOCC2)co1 ZINC000330001562 404523124 /nfs/dbraw/zinc/52/31/24/404523124.db2.gz AJTQYCRJQAOUON-UHFFFAOYSA-N 0 3 307.394 2.187 20 30 DEEDHN C[C@@H](CC(N)=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000344905794 404438443 /nfs/dbraw/zinc/43/84/43/404438443.db2.gz WLFUKPYNWDDQHG-AWEZNQCLSA-N 0 3 323.396 2.491 20 30 DEEDHN CO[C@](C)(C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CC1 ZINC000329744806 404439242 /nfs/dbraw/zinc/43/92/42/404439242.db2.gz QXCMOANOUWMMOQ-YOEHRIQHSA-N 0 3 323.437 2.438 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N(C)CC2CCN(C)CC2)s1 ZINC000329791500 404452683 /nfs/dbraw/zinc/45/26/83/404452683.db2.gz UNKHJWQIJXUUOK-JTQLQIEISA-N 0 3 311.455 2.095 20 30 DEEDHN CCN1CCC(NC(=O)CN2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000329827648 404463928 /nfs/dbraw/zinc/46/39/28/404463928.db2.gz RPTAEIIZIJKJRR-OAHLLOKOSA-N 0 3 322.453 2.011 20 30 DEEDHN O=C(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)C1CCC(=O)CC1 ZINC000330227684 404592671 /nfs/dbraw/zinc/59/26/71/404592671.db2.gz PJFWVNXPPHLQDF-SJORKVTESA-N 0 3 322.449 2.470 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414173706 404534937 /nfs/dbraw/zinc/53/49/37/404534937.db2.gz XFLNOQUIISSCPR-LBPRGKRZSA-N 0 3 309.435 2.185 20 30 DEEDHN C=CCOCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000342386206 404548494 /nfs/dbraw/zinc/54/84/94/404548494.db2.gz DRCNGAQTZQFNAT-UHFFFAOYSA-N 0 3 312.797 2.422 20 30 DEEDHN CCC1(CC)[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)[C@@H]1OC ZINC000345108676 404552815 /nfs/dbraw/zinc/55/28/15/404552815.db2.gz FWZCPTPJYXLFNO-TUVASFSCSA-N 0 3 321.465 2.367 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(n2cccn2)CC1 ZINC000365159976 404563388 /nfs/dbraw/zinc/56/33/88/404563388.db2.gz MJAUIHBOXOMONJ-OAHLLOKOSA-N 0 3 304.438 2.333 20 30 DEEDHN CC(C)(C)[C@H](C#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000292068392 404653647 /nfs/dbraw/zinc/65/36/47/404653647.db2.gz ZXOCXLRBRTVVGO-MCIONIFRSA-N 0 3 300.358 2.345 20 30 DEEDHN Cn1cc([C@H]2OCC[C@@H]2C(=O)NC2CCN(C3CC3)CC2)cn1 ZINC000330291308 404616275 /nfs/dbraw/zinc/61/62/75/404616275.db2.gz GJYXKPKXITZTDE-JKSUJKDBSA-N 0 3 318.421 2.081 20 30 DEEDHN CCc1ncc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000414442733 404632519 /nfs/dbraw/zinc/63/25/19/404632519.db2.gz QPCKQZARLYROJC-UHFFFAOYSA-N 0 3 323.444 2.474 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H](O)C12CCCC2 ZINC000330357705 404636984 /nfs/dbraw/zinc/63/69/84/404636984.db2.gz TWLYRUIMMWEDQT-HOTGVXAUSA-N 0 3 321.465 2.297 20 30 DEEDHN CC1CCC(N2CCN(C(=O)NCC(C)(C)C#N)CC2)CC1 ZINC000358644800 404771170 /nfs/dbraw/zinc/77/11/70/404771170.db2.gz YRZWAMPWKRTPAK-UHFFFAOYSA-N 0 3 306.454 2.442 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2F)CC1 ZINC000357831406 404745523 /nfs/dbraw/zinc/74/55/23/404745523.db2.gz SVXGZCKWEWHVRO-CYBMUJFWSA-N 0 3 306.381 2.360 20 30 DEEDHN CCN(CC)[C@H](CNC(=O)[C@H](C)C#N)c1cccc(OC)c1 ZINC000357824634 404745841 /nfs/dbraw/zinc/74/58/41/404745841.db2.gz KURJFWSQIIRXQT-CZUORRHYSA-N 0 3 303.406 2.354 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CN(C)C ZINC000358501800 404765162 /nfs/dbraw/zinc/76/51/62/404765162.db2.gz OIOQLJVEPBSMTO-CQSZACIVSA-N 0 3 300.406 2.206 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccccc3C#N)C2)CC1 ZINC000375886584 404765908 /nfs/dbraw/zinc/76/59/08/404765908.db2.gz AEXOHVNNGXTVDE-LJQANCHMSA-N 0 3 312.461 2.159 20 30 DEEDHN C=C(Br)CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375473693 404723612 /nfs/dbraw/zinc/72/36/12/404723612.db2.gz RCLFJSPVMAJOPG-OLZOCXBDSA-N 0 3 303.244 2.128 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCO[C@H](CC)C2)CC1 ZINC000358985551 404780365 /nfs/dbraw/zinc/78/03/65/404780365.db2.gz USTDZBSYQGWGMH-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN CSC1(CNC(=O)c2cccc(CC#N)c2)CCN(C)CC1 ZINC000359260863 404789124 /nfs/dbraw/zinc/78/91/24/404789124.db2.gz MQLMLFSYQUOSQM-UHFFFAOYSA-N 0 3 317.458 2.310 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000353306172 404797146 /nfs/dbraw/zinc/79/71/46/404797146.db2.gz GCNZYNHEZHVARL-SCTDSRPQSA-N 0 3 318.461 2.145 20 30 DEEDHN C=CCCCC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000366673164 404829322 /nfs/dbraw/zinc/82/93/22/404829322.db2.gz IISZPOFLXQRRIN-UHFFFAOYSA-N 0 3 307.482 2.360 20 30 DEEDHN C[C@H]1CN(CCCNC(=O)[C@]2(C#N)CC23CCCC3)CCCO1 ZINC000451182155 404891120 /nfs/dbraw/zinc/89/11/20/404891120.db2.gz GYDJREAZFOYOTE-MAUKXSAKSA-N 0 3 319.449 2.078 20 30 DEEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435019405 404950928 /nfs/dbraw/zinc/95/09/28/404950928.db2.gz JOEBCTWCDSSKTF-YOEHRIQHSA-N 0 3 309.413 2.285 20 30 DEEDHN Cc1ccc(OCCCCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424093466 405002269 /nfs/dbraw/zinc/00/22/69/405002269.db2.gz SBDRDLCEEDDXOS-INIZCTEOSA-N 0 3 303.406 2.291 20 30 DEEDHN CCCOCc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424101339 405005494 /nfs/dbraw/zinc/00/54/94/405005494.db2.gz YNGJPPBFUCVNCY-MRXNPFEDSA-N 0 3 303.406 2.251 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000424102016 405007056 /nfs/dbraw/zinc/00/70/56/405007056.db2.gz QEKVTBWESODREK-CQSZACIVSA-N 0 3 311.345 2.229 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OC(F)F)cc1 ZINC000424104884 405007740 /nfs/dbraw/zinc/00/77/40/405007740.db2.gz VCAJCFPLIFOIMT-MFKMUULPSA-N 0 3 311.332 2.486 20 30 DEEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000424118760 405013364 /nfs/dbraw/zinc/01/33/64/405013364.db2.gz DUJUQLPMKYEUFS-RBSFLKMASA-N 0 3 309.454 2.450 20 30 DEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccc(Cl)cc1 ZINC000424120487 405013433 /nfs/dbraw/zinc/01/34/33/405013433.db2.gz HDWNPYQSSKFPHC-SMDDNHRTSA-N 0 3 309.797 2.245 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1F ZINC000424119357 405013462 /nfs/dbraw/zinc/01/34/62/405013462.db2.gz FQVGLZZSSUHJFN-GXTWGEPZSA-N 0 3 307.369 2.120 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000424127699 405015837 /nfs/dbraw/zinc/01/58/37/405015837.db2.gz VROARYVIGDCKFX-INIZCTEOSA-N 0 3 307.438 2.205 20 30 DEEDHN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H](N)CCCC#N ZINC000424143608 405021286 /nfs/dbraw/zinc/02/12/86/405021286.db2.gz WMWZYSBJOCVSSM-ZUZCIYMTSA-N 0 3 307.344 2.432 20 30 DEEDHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@@H](N)CCCC#N ZINC000424170323 405028876 /nfs/dbraw/zinc/02/88/76/405028876.db2.gz KXFPMRPEVOSJLJ-YOEHRIQHSA-N 0 3 315.417 2.252 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000367239387 404977244 /nfs/dbraw/zinc/97/72/44/404977244.db2.gz CSRILRZZIJQYDF-IRXDYDNUSA-N 0 3 302.418 2.183 20 30 DEEDHN CCCN(CCN(CC)CC)S(=O)(=O)CC(C)(C)CC#N ZINC000451394112 404978700 /nfs/dbraw/zinc/97/87/00/404978700.db2.gz RAVRYUFCOQNCHC-UHFFFAOYSA-N 0 3 317.499 2.310 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361222436 404981600 /nfs/dbraw/zinc/98/16/00/404981600.db2.gz XWJCGDVCERTJMG-UHFFFAOYSA-N 0 3 318.377 2.017 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1cccc(Br)c1 ZINC000424081838 404998248 /nfs/dbraw/zinc/99/82/48/404998248.db2.gz KMUJHOWRSCKRDG-GFCCVEGCSA-N 0 3 310.195 2.086 20 30 DEEDHN C=CCn1cc(CN[C@H](C)Cc2ccc(OC)c(OC)c2)nn1 ZINC000424297074 405061548 /nfs/dbraw/zinc/06/15/48/405061548.db2.gz PURLRPWIXJWLFV-CYBMUJFWSA-N 0 3 316.405 2.202 20 30 DEEDHN C=CCn1cc(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000424297312 405061574 /nfs/dbraw/zinc/06/15/74/405061574.db2.gz QEXAWSFZEYAAFG-CYBMUJFWSA-N 0 3 315.377 2.483 20 30 DEEDHN COc1ccccc1CCNC(=O)CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000436281787 405067246 /nfs/dbraw/zinc/06/72/46/405067246.db2.gz FJNGVFMOPRFBSJ-GDBMZVCRSA-N 0 3 315.417 2.026 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)NC2(C#N)CCC2)C12CCCCC2 ZINC000367558644 405082732 /nfs/dbraw/zinc/08/27/32/405082732.db2.gz DIBNTCZAZFFTFI-CABCVRRESA-N 0 3 319.449 2.266 20 30 DEEDHN C[C@@H](C#N)S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000416396640 405129804 /nfs/dbraw/zinc/12/98/04/405129804.db2.gz DITRSVYLOLOREV-KBPBESRZSA-N 0 3 321.446 2.043 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000452027902 405131779 /nfs/dbraw/zinc/13/17/79/405131779.db2.gz WMCCDPFUEIQBGX-APHBMKBZSA-N 0 3 301.390 2.432 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc3cc(Cl)ccn3n2)CC1 ZINC000354281683 405138340 /nfs/dbraw/zinc/13/83/40/405138340.db2.gz PSRDQTBGXOJCMM-UHFFFAOYSA-N 0 3 318.808 2.368 20 30 DEEDHN CCNC(=O)[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000354322129 405157267 /nfs/dbraw/zinc/15/72/67/405157267.db2.gz MSUGMNDKGBHKQT-HOTGVXAUSA-N 0 3 315.417 2.036 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000452122989 405183053 /nfs/dbraw/zinc/18/30/53/405183053.db2.gz LWFBIYRJJOKOEG-DDBAPUKQSA-N 0 3 314.429 2.357 20 30 DEEDHN C=C(CC)CNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418887696 405210999 /nfs/dbraw/zinc/21/09/99/405210999.db2.gz NIAPGIGXTVQEIF-MRXNPFEDSA-N 0 3 317.433 2.008 20 30 DEEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000568503307 292345417 /nfs/dbraw/zinc/34/54/17/292345417.db2.gz NOJRFXSBTWKIHB-CQSZACIVSA-N 0 3 307.401 2.408 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000438058318 405229776 /nfs/dbraw/zinc/22/97/76/405229776.db2.gz RLSXZWDUMSIMPO-GJZGRUSLSA-N 0 3 309.454 2.093 20 30 DEEDHN CO[C@H](CC(C)C)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000419284743 405234761 /nfs/dbraw/zinc/23/47/61/405234761.db2.gz TYJCSQSELWLLKV-HZPDHXFCSA-N 0 3 303.406 2.467 20 30 DEEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC1(C)C ZINC000419320175 405237891 /nfs/dbraw/zinc/23/78/91/405237891.db2.gz XCLWYJKWOHUDNJ-ZIAGYGMSSA-N 0 3 321.446 2.141 20 30 DEEDHN COCCCN1CCC(Nc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425220312 405260041 /nfs/dbraw/zinc/26/00/41/405260041.db2.gz DDCSDYJUHWRJLE-UHFFFAOYSA-N 0 3 318.377 2.379 20 30 DEEDHN C=CCN1CC[C@H](N2CCNC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000420317809 405317267 /nfs/dbraw/zinc/31/72/67/405317267.db2.gz OUEZQJIADCVVDY-JKSUJKDBSA-N 0 3 319.836 2.073 20 30 DEEDHN C=C(CC)CNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000454424838 405344202 /nfs/dbraw/zinc/34/42/02/405344202.db2.gz DEUAXOWWMHWWKK-UHFFFAOYSA-N 0 3 319.449 2.435 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OCC)[C@@H](C)C2)CC1 ZINC000454454173 405347672 /nfs/dbraw/zinc/34/76/72/405347672.db2.gz AJNMTJPKWMQDNM-RDJZCZTQSA-N 0 3 323.481 2.483 20 30 DEEDHN C=C(CC)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000454033741 405293441 /nfs/dbraw/zinc/29/34/41/405293441.db2.gz PUTLSVLKZWNWOX-UHFFFAOYSA-N 0 3 303.406 2.078 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000425511875 405299399 /nfs/dbraw/zinc/29/93/99/405299399.db2.gz XFXAYVOPDAKQMF-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000440151245 405303799 /nfs/dbraw/zinc/30/37/99/405303799.db2.gz AQOMGDYTEJFHBJ-LSDHHAIUSA-N 0 3 309.454 2.140 20 30 DEEDHN CN(C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425610757 405307306 /nfs/dbraw/zinc/30/73/06/405307306.db2.gz MUIKMOOYWPTITM-NUEKZKHPSA-N 0 3 300.406 2.281 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)s1 ZINC000420798319 405386879 /nfs/dbraw/zinc/38/68/79/405386879.db2.gz WZKCTRVHAIOOQF-LBPRGKRZSA-N 0 3 306.435 2.293 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000448689144 405436764 /nfs/dbraw/zinc/43/67/64/405436764.db2.gz GRPFENVPLHWRAX-CJNGLKHVSA-N 0 3 307.463 2.014 20 30 DEEDHN COc1cccc([C@@H](CNC[C@H](C#N)CCC#N)N(C)C)c1 ZINC000556481254 405485311 /nfs/dbraw/zinc/48/53/11/405485311.db2.gz LPHWJPBZJLXOAY-WMLDXEAASA-N 0 3 300.406 2.331 20 30 DEEDHN COc1cccc([C@H](CNC[C@H](C#N)CCC#N)N(C)C)c1 ZINC000556481256 405486203 /nfs/dbraw/zinc/48/62/03/405486203.db2.gz LPHWJPBZJLXOAY-YOEHRIQHSA-N 0 3 300.406 2.331 20 30 DEEDHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430738621 405501577 /nfs/dbraw/zinc/50/15/77/405501577.db2.gz ZRBYWOSVSBXHHE-CYBMUJFWSA-N 0 3 321.446 2.295 20 30 DEEDHN CO[C@@H]1CCN(C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000528515786 405646595 /nfs/dbraw/zinc/64/65/95/405646595.db2.gz CSNIHKITOGLVPU-DOTOQJQBSA-N 0 3 318.417 2.045 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2cccs2)ns1 ZINC000582358667 405713363 /nfs/dbraw/zinc/71/33/63/405713363.db2.gz JDOBHRBWFNKMLM-QMMMGPOBSA-N 0 3 307.404 2.226 20 30 DEEDHN Cc1cnc(CCNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000457159923 405730059 /nfs/dbraw/zinc/73/00/59/405730059.db2.gz AFHGSOIGODRWNS-INIZCTEOSA-N 0 3 308.385 2.216 20 30 DEEDHN COCc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1C#N ZINC000529211220 405752945 /nfs/dbraw/zinc/75/29/45/405752945.db2.gz FJUSSAPXTSMJPV-MRXNPFEDSA-N 0 3 314.389 2.017 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ncccc2F)cc1 ZINC000530311892 405779356 /nfs/dbraw/zinc/77/93/56/405779356.db2.gz VZXQJPUKKRHTCX-AWEZNQCLSA-N 0 3 308.316 2.091 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000495022421 405802305 /nfs/dbraw/zinc/80/23/05/405802305.db2.gz YFZMQIKDAYIWAK-OAHLLOKOSA-N 0 3 323.400 2.490 20 30 DEEDHN COc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000433221310 405902747 /nfs/dbraw/zinc/90/27/47/405902747.db2.gz OYGATDYQQSCLJW-INIZCTEOSA-N 0 3 309.369 2.479 20 30 DEEDHN CN(CCNC[C@@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000497048585 406013034 /nfs/dbraw/zinc/01/30/34/406013034.db2.gz VIWNHWARDUVUIJ-OAHLLOKOSA-N 0 3 319.405 2.048 20 30 DEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1 ZINC000562462895 406013917 /nfs/dbraw/zinc/01/39/17/406013917.db2.gz RIMAGRHJCBFLQY-GRYCIOLGSA-N 0 3 305.328 2.352 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000567219404 406095214 /nfs/dbraw/zinc/09/52/14/406095214.db2.gz CXCCTFNYGBQNPR-UHFFFAOYSA-N 0 3 315.417 2.285 20 30 DEEDHN N#CC1(CNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000567445164 406096686 /nfs/dbraw/zinc/09/66/86/406096686.db2.gz ZJOSRCSVRHKSGV-MRXNPFEDSA-N 0 3 312.417 2.111 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CC2)C[C@H](C)C1 ZINC000451083908 406045673 /nfs/dbraw/zinc/04/56/73/406045673.db2.gz QCMJOXISDUNIOT-CVEARBPZSA-N 0 3 307.482 2.216 20 30 DEEDHN C=CCCCCN(C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000562687825 406054069 /nfs/dbraw/zinc/05/40/69/406054069.db2.gz DBFQNDYYFLCWMT-UHFFFAOYSA-N 0 3 310.438 2.076 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1csc2ccccc12 ZINC000563347325 406059509 /nfs/dbraw/zinc/05/95/09/406059509.db2.gz NNTPDHVRASLIBI-AWEZNQCLSA-N 0 3 303.431 2.197 20 30 DEEDHN CSc1ccccc1[C@H](C)NC[C@H](O)CN(C)CCC#N ZINC000564205309 406062901 /nfs/dbraw/zinc/06/29/01/406062901.db2.gz YTFYHYJVJLJSJG-KBPBESRZSA-N 0 3 307.463 2.265 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCN(C)c2ccccc2)C1=O ZINC000564795845 406065661 /nfs/dbraw/zinc/06/56/61/406065661.db2.gz OWTAQRFAGAPTNZ-KRWDZBQOSA-N 0 3 301.434 2.232 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2CCCCCC2)nc1 ZINC000567696207 406121359 /nfs/dbraw/zinc/12/13/59/406121359.db2.gz VETUKGJQAXUWJC-UHFFFAOYSA-N 0 3 321.446 2.287 20 30 DEEDHN COc1cccc([C@H](CNc2ncncc2C#N)N2CCCC2)c1 ZINC000567750156 406133434 /nfs/dbraw/zinc/13/34/34/406133434.db2.gz JYNWHQRGOLOSOX-KRWDZBQOSA-N 0 3 323.400 2.028 20 30 DEEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(OC3CCOCC3)c2)C1 ZINC000569303844 406232763 /nfs/dbraw/zinc/23/27/63/406232763.db2.gz AIOQSZCPAFZACM-HIFRSBDPSA-N 0 3 301.390 2.421 20 30 DEEDHN Cn1ccnc1[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000536068644 406250243 /nfs/dbraw/zinc/25/02/43/406250243.db2.gz JSNDDCQPTCHUCG-HNNXBMFYSA-N 0 3 323.400 2.110 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000569442241 406253680 /nfs/dbraw/zinc/25/36/80/406253680.db2.gz LQKRXIQFNXQCSB-OAHLLOKOSA-N 0 3 322.412 2.480 20 30 DEEDHN CCN1CCC(NC(=O)Nc2ccc(C#N)cc2OC)CC1 ZINC000546005530 406343708 /nfs/dbraw/zinc/34/37/08/406343708.db2.gz OOOLFDKJDHZKAX-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN Cc1cnc([C@@H](C)CNCc2cnc3c(C#N)cnn3c2)s1 ZINC000570162240 406354556 /nfs/dbraw/zinc/35/45/56/406354556.db2.gz FAHIXEIWCSQOIO-JTQLQIEISA-N 0 3 312.402 2.259 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000541949402 406302511 /nfs/dbraw/zinc/30/25/11/406302511.db2.gz XPUOJQFJYLOLFM-IJEWVQPXSA-N 0 3 300.406 2.281 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000545295104 406311459 /nfs/dbraw/zinc/31/14/59/406311459.db2.gz FGINSMQFROHWHL-UHFFFAOYSA-N 0 3 314.389 2.315 20 30 DEEDHN CC[C@H](C)N1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000570523955 406405798 /nfs/dbraw/zinc/40/57/98/406405798.db2.gz WUAMHVKPMVAOOR-AWEZNQCLSA-N 0 3 315.417 2.261 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000546708179 406376424 /nfs/dbraw/zinc/37/64/24/406376424.db2.gz WXTKSRRFGJHACS-AWEZNQCLSA-N 0 3 316.405 2.372 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2nccn2Cc2ccccc2)CC1 ZINC000490575142 406471234 /nfs/dbraw/zinc/47/12/34/406471234.db2.gz LVSLGPXGCPZPNJ-UHFFFAOYSA-N 0 3 322.412 2.215 20 30 DEEDHN C#CCN(CC)C[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000490739672 406488516 /nfs/dbraw/zinc/48/85/16/406488516.db2.gz GDWBVKCPRACCNR-SBSDFTTDSA-N 0 3 303.402 2.423 20 30 DEEDHN N#Cc1cncnc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000571673575 406551532 /nfs/dbraw/zinc/55/15/32/406551532.db2.gz CEKDASHEKZSPFL-ZDUSSCGKSA-N 0 3 313.430 2.156 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000491304722 406564065 /nfs/dbraw/zinc/56/40/65/406564065.db2.gz GTPKAIOSYKSJIM-UHFFFAOYSA-N 0 3 311.429 2.480 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1F ZINC000571404863 406517384 /nfs/dbraw/zinc/51/73/84/406517384.db2.gz YELMGJVPSWFXLE-OAHLLOKOSA-N 0 3 316.380 2.077 20 30 DEEDHN CC(C#N)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000491461522 406597171 /nfs/dbraw/zinc/59/71/71/406597171.db2.gz FKJRCSCKNDKDFC-LBPRGKRZSA-N 0 3 309.410 2.252 20 30 DEEDHN C#CCNC(=O)C1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000491524169 406610814 /nfs/dbraw/zinc/61/08/14/406610814.db2.gz JYAHSVWFVNXZDP-GFCCVEGCSA-N 0 3 303.233 2.032 20 30 DEEDHN C#CCN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000491544933 406616386 /nfs/dbraw/zinc/61/63/86/406616386.db2.gz OHEYPSPPFQXQQU-HNNXBMFYSA-N 0 3 310.438 2.092 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000491623999 406637308 /nfs/dbraw/zinc/63/73/08/406637308.db2.gz JIFWNDWCKJFIRK-GOSISDBHSA-N 0 3 324.428 2.190 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CSc2ccccc2O1 ZINC000491370883 406579735 /nfs/dbraw/zinc/57/97/35/406579735.db2.gz BOCOLSYUJICIHE-CQSZACIVSA-N 0 3 318.442 2.001 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000491371451 406579980 /nfs/dbraw/zinc/57/99/80/406579980.db2.gz FCCUEKJHHDFSFT-UHFFFAOYSA-N 0 3 301.434 2.400 20 30 DEEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)C(C)C ZINC000491394978 406583861 /nfs/dbraw/zinc/58/38/61/406583861.db2.gz PLLVFJYNUYTWQI-KRWDZBQOSA-N 0 3 301.434 2.418 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(Oc2ccc(Cl)cc2)CC1 ZINC000491669117 406660275 /nfs/dbraw/zinc/66/02/75/406660275.db2.gz ZLRBJDYMBSYCSC-UHFFFAOYSA-N 0 3 320.820 2.323 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000491671437 406661815 /nfs/dbraw/zinc/66/18/15/406661815.db2.gz WUCLWYPEJKIOJB-GDBMZVCRSA-N 0 3 301.365 2.036 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000491759140 406704253 /nfs/dbraw/zinc/70/42/53/406704253.db2.gz LNPKKPUANXASRS-UHFFFAOYSA-N 0 3 324.428 2.191 20 30 DEEDHN C#C[C@H](NC1CCN(C(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC000491699794 406675389 /nfs/dbraw/zinc/67/53/89/406675389.db2.gz CQJKEXLRLQJOLP-INIZCTEOSA-N 0 3 303.381 2.236 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000491717559 406686256 /nfs/dbraw/zinc/68/62/56/406686256.db2.gz RCBPSQDJGWGURY-GJZGRUSLSA-N 0 3 311.495 2.305 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2c(F)cccc2CC)CC1 ZINC000491732043 406692604 /nfs/dbraw/zinc/69/26/04/406692604.db2.gz QRFFPVQOFGGREM-UHFFFAOYSA-N 0 3 302.393 2.350 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000491751386 406701784 /nfs/dbraw/zinc/70/17/84/406701784.db2.gz XWZHCRHWQUERDU-UKRRQHHQSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000491631894 406641805 /nfs/dbraw/zinc/64/18/05/406641805.db2.gz RVQVPVASNKHMNU-HNNXBMFYSA-N 0 3 304.409 2.466 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)n1cc(CNC2CCCC2)nn1 ZINC000640921095 406741627 /nfs/dbraw/zinc/74/16/27/406741627.db2.gz RPYKBXHFPQBMGS-AWEZNQCLSA-N 0 3 317.437 2.072 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000552501066 406715057 /nfs/dbraw/zinc/71/50/57/406715057.db2.gz PWQGMMKCTOSQNV-HNNXBMFYSA-N 0 3 315.392 2.373 20 30 DEEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491784863 406718482 /nfs/dbraw/zinc/71/84/82/406718482.db2.gz QGVSEJKPTURNSN-STQMWFEESA-N 0 3 304.390 2.422 20 30 DEEDHN C#C[C@H](NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)C(C)C ZINC000491794381 406723933 /nfs/dbraw/zinc/72/39/33/406723933.db2.gz QMGCXJBPCBTPFP-HNNXBMFYSA-N 0 3 323.433 2.286 20 30 DEEDHN C#CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000491808964 406730209 /nfs/dbraw/zinc/73/02/09/406730209.db2.gz WILLPWDENNCSIJ-UHFFFAOYSA-N 0 3 317.345 2.030 20 30 DEEDHN N#CCCCNC[C@H](O)COc1ccc(Br)cc1 ZINC000576817875 406833022 /nfs/dbraw/zinc/83/30/22/406833022.db2.gz UZPIFBXEPOZGKY-LBPRGKRZSA-N 0 3 313.195 2.082 20 30 DEEDHN C=CCOCCNC(=O)N(CCC)CCN1CCCCCC1 ZINC000642734554 406934213 /nfs/dbraw/zinc/93/42/13/406934213.db2.gz KEKKHLUDEZDTCT-UHFFFAOYSA-N 0 3 311.470 2.487 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000644185968 407101892 /nfs/dbraw/zinc/10/18/92/407101892.db2.gz HMOWEULRFOJNQM-BBRMVZONSA-N 0 3 301.390 2.045 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1cc(CO)cc(C)n1)C(C)C ZINC000647854309 407062350 /nfs/dbraw/zinc/06/23/50/407062350.db2.gz KXUSLQUBHSSQKG-QGZVFWFLSA-N 0 3 303.450 2.415 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)s1 ZINC000420803795 286832023 /nfs/dbraw/zinc/83/20/23/286832023.db2.gz MVQHQBWKZPKEQJ-LBPRGKRZSA-N 0 3 306.435 2.293 20 30 DEEDHN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000329557288 225896896 /nfs/dbraw/zinc/89/68/96/225896896.db2.gz HQBKJBMVDMEPPA-BFYDXBDKSA-N 0 3 308.422 2.155 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000330991863 226051202 /nfs/dbraw/zinc/05/12/02/226051202.db2.gz UFUSMEHOEMCGPI-INIZCTEOSA-N 0 3 300.406 2.041 20 30 DEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC000330626794 226019385 /nfs/dbraw/zinc/01/93/85/226019385.db2.gz WCNHCUJDHPHPQK-ZDUSSCGKSA-N 0 3 319.453 2.358 20 30 DEEDHN CN(C)C(=O)C[C@H](NCCCSCC#N)c1ccccc1 ZINC000341502666 226218620 /nfs/dbraw/zinc/21/86/20/226218620.db2.gz CLYNZEKEXBNFSR-HNNXBMFYSA-N 0 3 305.447 2.442 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCc3occc3C2)CC1 ZINC000291104321 222139664 /nfs/dbraw/zinc/13/96/64/222139664.db2.gz WLNDHVSKLZLGMT-UHFFFAOYSA-N 0 3 303.406 2.388 20 30 DEEDHN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)[C@@H](C)C#N)CC1 ZINC000416396642 228831173 /nfs/dbraw/zinc/83/11/73/228831173.db2.gz DITRSVYLOLOREV-UONOGXRCSA-N 0 3 321.446 2.043 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)s1 ZINC000422214084 230095717 /nfs/dbraw/zinc/09/57/17/230095717.db2.gz GSILHQUIDYKWQC-RISCZKNCSA-N 0 3 306.435 2.101 20 30 DEEDHN C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424095955 296969936 /nfs/dbraw/zinc/96/99/36/296969936.db2.gz XXZYWUQXRXDHSD-ZIAGYGMSSA-N 0 3 300.406 2.127 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001099043525 782035082 /nfs/dbraw/zinc/03/50/82/782035082.db2.gz PBXSLHYIGHUDAP-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN Cc1cc(NC(=O)N(C)C[C@H]2CCCN(C)C2)ncc1C#N ZINC000603123562 422448835 /nfs/dbraw/zinc/44/88/35/422448835.db2.gz WZFPYGNQGAXXAJ-ZDUSSCGKSA-N 0 3 301.394 2.067 20 30 DEEDHN CCn1nc(NC(=O)NCCN2CCC(C)CC2)cc1C1CC1 ZINC000330274755 424909159 /nfs/dbraw/zinc/90/91/59/424909159.db2.gz KPJDYBHUWWWNNE-UHFFFAOYSA-N 0 3 319.453 2.838 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1csc(NC2CC2)n1 ZINC000330256415 424909366 /nfs/dbraw/zinc/90/93/66/424909366.db2.gz KPFDHYCZEZTNRK-GFCCVEGCSA-N 0 3 320.462 3.039 20 30 DEEDHN CN(C)[C@H](CC(=O)N1CCSC[C@H]1C#N)c1ccccc1 ZINC000416194512 424956701 /nfs/dbraw/zinc/95/67/01/424956701.db2.gz UBNDNUXNZOAVIW-HUUCEWRRSA-N 0 3 303.431 2.147 20 30 DEEDHN CN(CCCc1[nH]nc(N)c1C#N)CCC1(C#N)CCCCC1 ZINC000584456075 424990548 /nfs/dbraw/zinc/99/05/48/424990548.db2.gz VMFXVHYSRHFGQM-UHFFFAOYSA-N 0 3 314.437 2.592 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000649366197 425000705 /nfs/dbraw/zinc/00/07/05/425000705.db2.gz ROTLBKTXBLCRCW-INIZCTEOSA-N 0 3 322.474 2.056 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](N[C@@H](C)CC)c2ccco2)n1 ZINC000596230962 425022093 /nfs/dbraw/zinc/02/20/93/425022093.db2.gz MEVKQMVALVCKEU-GXTWGEPZSA-N 0 3 313.405 3.045 20 30 DEEDHN C=CCNC(=O)CN1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000649680846 425062832 /nfs/dbraw/zinc/06/28/32/425062832.db2.gz AUUCLPUFUPTDNL-ULQDDVLXSA-N 0 3 315.461 2.272 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)OC[C@H]2CC)CC1 ZINC000650852402 425066951 /nfs/dbraw/zinc/06/69/51/425066951.db2.gz CLBOZSUOGKUKPZ-OAHLLOKOSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000660705521 425212622 /nfs/dbraw/zinc/21/26/22/425212622.db2.gz VSILWULUUMLFQU-GFCCVEGCSA-N 0 3 301.381 2.227 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C2CC2)C(C)(C)CO)CC1 ZINC000664017635 425290050 /nfs/dbraw/zinc/29/00/50/425290050.db2.gz YTRRNSYTXZSILD-INIZCTEOSA-N 0 3 323.481 2.123 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](COC)CC(C)(C)C)CC1 ZINC000654431752 425352177 /nfs/dbraw/zinc/35/21/77/425352177.db2.gz YLUZEWMNFHVESK-HNNXBMFYSA-N 0 3 311.470 2.387 20 30 DEEDHN C=CCN(C[C@H]1CN(c2ccccc2)CCO1)[C@H](C)COC ZINC000661238992 425357082 /nfs/dbraw/zinc/35/70/82/425357082.db2.gz BICRKHACIVBWOZ-AEFFLSMTSA-N 0 3 304.434 2.415 20 30 DEEDHN C=CCN(CCC(=O)N1CCOc2ccccc21)[C@@H](C)COC ZINC000661239296 425357571 /nfs/dbraw/zinc/35/75/71/425357571.db2.gz DXNZSAMFBATSCQ-HNNXBMFYSA-N 0 3 318.417 2.325 20 30 DEEDHN C=CCN(C[C@H](O)COc1cccc2[nH]ccc21)[C@H](C)COC ZINC000661241925 425359593 /nfs/dbraw/zinc/35/95/93/425359593.db2.gz FDKOQKQVDDZIDD-CABCVRRESA-N 0 3 318.417 2.431 20 30 DEEDHN Cc1ccc(C#N)cc1NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000186619047 267388303 /nfs/dbraw/zinc/38/83/03/267388303.db2.gz NENZMCSUNXXFAB-UHFFFAOYSA-N 0 3 312.377 2.269 20 30 DEEDHN C=CCCCCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000654665774 425409326 /nfs/dbraw/zinc/40/93/26/425409326.db2.gz LONNZLKBECEEBP-KRWDZBQOSA-N 0 3 322.497 2.154 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654553749 425379287 /nfs/dbraw/zinc/37/92/87/425379287.db2.gz CMKGGAOLCRZWJV-HZPDHXFCSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN)c1 ZINC000659090898 425527044 /nfs/dbraw/zinc/52/70/44/425527044.db2.gz DUCVJRJPPKANGD-ZBFHGGJFSA-N 0 3 315.417 2.335 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000665386262 425560690 /nfs/dbraw/zinc/56/06/90/425560690.db2.gz SOTNVEOPYIXYKK-IXDOHACOSA-N 0 3 323.481 2.267 20 30 DEEDHN C=C[C@H](CO)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000662167525 425580802 /nfs/dbraw/zinc/58/08/02/425580802.db2.gz HHTFDSDEBXWOAU-HZPDHXFCSA-N 0 3 307.434 2.169 20 30 DEEDHN C=CCNC(=O)CN1CCN(C[C@@H]2CCCCC2(C)C)CC1 ZINC000659810640 425656395 /nfs/dbraw/zinc/65/63/95/425656395.db2.gz NQYOCDCMBJBMDK-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000656228303 425738727 /nfs/dbraw/zinc/73/87/27/425738727.db2.gz VNEQMFBNMZTQDJ-HOTGVXAUSA-N 0 3 314.433 2.426 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(C#N)o2)C1 ZINC000495567021 269155406 /nfs/dbraw/zinc/15/54/06/269155406.db2.gz SGKWRYCTFAYZPI-STQMWFEESA-N 0 3 305.378 2.498 20 30 DEEDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000411956265 274073101 /nfs/dbraw/zinc/07/31/01/274073101.db2.gz VGXZKRPLKOWOSX-PXAZEXFGSA-N 0 3 319.405 2.500 20 30 DEEDHN COc1cc(NC(=O)N2CCCC23CCN(C)CC3)ccn1 ZINC000329449456 274096971 /nfs/dbraw/zinc/09/69/71/274096971.db2.gz OOBKZYFHSHIDJY-UHFFFAOYSA-N 0 3 304.394 2.196 20 30 DEEDHN CC(C)C[C@H](CN(C)C)NC(=O)NCC#Cc1cccc(F)c1 ZINC000338040358 275912326 /nfs/dbraw/zinc/91/23/26/275912326.db2.gz AEKWDEYLPQWBTP-QGZVFWFLSA-N 0 3 319.424 2.453 20 30 DEEDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H]1OC ZINC000345129514 275963080 /nfs/dbraw/zinc/96/30/80/275963080.db2.gz ISVJRWWZAAKEII-MJBXVCDLSA-N 0 3 307.438 2.121 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000067204672 276885391 /nfs/dbraw/zinc/88/53/91/276885391.db2.gz LQKQJPCIFSSIQP-GOEBONIOSA-N 0 3 302.418 2.487 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(C#N)cc2)C1 ZINC000245880984 277181395 /nfs/dbraw/zinc/18/13/95/277181395.db2.gz BDEBEWXRESWHQF-IRXDYDNUSA-N 0 3 312.417 2.184 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nn(CC)nc1C)C(C)C ZINC000294860678 277849610 /nfs/dbraw/zinc/84/96/10/277849610.db2.gz SZANXLWFIYTYJK-HNNXBMFYSA-N 0 3 319.453 2.035 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(C)cc(C#N)c2)C[C@@H]1N(C)C ZINC000455958423 278149524 /nfs/dbraw/zinc/14/95/24/278149524.db2.gz RQZFOCOQFRAFJN-LSDHHAIUSA-N 0 3 318.446 2.376 20 30 DEEDHN C[C@H]1CN(c2cccc(F)c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000367059467 278443578 /nfs/dbraw/zinc/44/35/78/278443578.db2.gz GJKKWXCMUZPXTA-YOEHRIQHSA-N 0 3 316.424 2.160 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCC#N)C12CCCCC2 ZINC000424120893 279857420 /nfs/dbraw/zinc/85/74/20/279857420.db2.gz HMARKEVXGUOJNP-SOUVJXGZSA-N 0 3 307.438 2.252 20 30 DEEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1C ZINC000047011281 281452774 /nfs/dbraw/zinc/45/27/74/281452774.db2.gz JVWNFCJNXVRABX-UHFFFAOYSA-N 0 3 324.428 2.409 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccn1 ZINC000047010706 289145082 /nfs/dbraw/zinc/14/50/82/289145082.db2.gz PIQABXBGSNTEMH-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C[C@H](CC(=O)N1CC[C@]2(CCN(C)C2)C1)NC(=O)C1CCCC1 ZINC000329230089 298296561 /nfs/dbraw/zinc/29/65/61/298296561.db2.gz JTJXNARQAZZSJL-KDOFPFPSSA-N 0 3 321.465 2.466 20 30 DEEDHN Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)n(C2CCN(C)CC2)n1 ZINC000431118360 301349483 /nfs/dbraw/zinc/34/94/83/301349483.db2.gz MWZIUOIIEHNEQH-LBPRGKRZSA-N 0 3 318.425 2.082 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(CC)nn(C)c2Cl)[C@H]1C ZINC001088965099 782085202 /nfs/dbraw/zinc/08/52/02/782085202.db2.gz BFGIMHLFJWRMIU-YPMHNXCESA-N 0 3 324.856 2.405 20 30 DEEDHN CN(C)[C@@]1(CNc2ncc3c(c2C#N)CCC3)CCSC1 ZINC000577173550 326347511 /nfs/dbraw/zinc/34/75/11/326347511.db2.gz DINORCMHIRWPNC-MRXNPFEDSA-N 0 3 302.447 2.291 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CC1 ZINC000180844731 331989468 /nfs/dbraw/zinc/98/94/68/331989468.db2.gz KJZLFJKYUYRKLY-QZTJIDSGSA-N 0 3 320.477 2.432 20 30 DEEDHN N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569420041 332079187 /nfs/dbraw/zinc/07/91/87/332079187.db2.gz LMRQJWWWEOOHAE-QZTJIDSGSA-N 0 3 311.429 2.456 20 30 DEEDHN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)NC1(C#N)CCC1 ZINC000560446440 332340524 /nfs/dbraw/zinc/34/05/24/332340524.db2.gz RDONRTCOJHPXFX-RYUDHWBXSA-N 0 3 311.389 2.164 20 30 DEEDHN COc1ccccc1[C@@H](CO)NCCCC1(C#N)CCOCC1 ZINC000531151076 332983901 /nfs/dbraw/zinc/98/39/01/332983901.db2.gz FYUHBXIINJCVPC-MRXNPFEDSA-N 0 3 318.417 2.419 20 30 DEEDHN CC(C)(CCC#N)C[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000174333641 333085238 /nfs/dbraw/zinc/08/52/38/333085238.db2.gz PWPKEGYWVWROIJ-UHFFFAOYSA-N 0 3 303.406 2.432 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000582101789 333223045 /nfs/dbraw/zinc/22/30/45/333223045.db2.gz VNNJICUJBXOZQH-QGZVFWFLSA-N 0 3 321.421 2.189 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C2CCC2)cc1 ZINC000565359510 333396177 /nfs/dbraw/zinc/39/61/77/333396177.db2.gz ZOPBBXUBVGSDRR-GOSISDBHSA-N 0 3 301.434 2.250 20 30 DEEDHN C=CCOCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000354787631 336482170 /nfs/dbraw/zinc/48/21/70/336482170.db2.gz DTGCJQXRJRQDLV-UHFFFAOYSA-N 0 3 310.825 2.433 20 30 DEEDHN COC(=O)C[C@]1(NCc2ccccc2C(C)(C)C#N)CCOC1 ZINC000362261426 336790080 /nfs/dbraw/zinc/79/00/80/336790080.db2.gz GGSNDPFZGSYZPD-GOSISDBHSA-N 0 3 316.401 2.300 20 30 DEEDHN N#CCCCCN1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375754364 337018751 /nfs/dbraw/zinc/01/87/51/337018751.db2.gz CEBIXRGBFSJLBU-CABCVRRESA-N 0 3 309.410 2.050 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)N[C@H](C#N)C2CC2)[C@H](C(F)(F)F)C1 ZINC000582860278 337208735 /nfs/dbraw/zinc/20/87/35/337208735.db2.gz WBMXWQTVKGXVML-IJLUTSLNSA-N 0 3 317.355 2.314 20 30 DEEDHN Cc1ccc(SC[C@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000583748650 337328799 /nfs/dbraw/zinc/32/87/99/337328799.db2.gz QGDNGYZZNIQBAY-HOTGVXAUSA-N 0 3 321.490 2.272 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000424167819 337790462 /nfs/dbraw/zinc/79/04/62/337790462.db2.gz FHYKLBHNEMCEJG-GVDBMIGSSA-N 0 3 315.417 2.262 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCc2sccc2C1 ZINC000429732107 338088655 /nfs/dbraw/zinc/08/86/55/338088655.db2.gz VGPLNKGXXLZMCF-UHFFFAOYSA-N 0 3 321.490 2.073 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496402285 340004705 /nfs/dbraw/zinc/00/47/05/340004705.db2.gz KDGLEEJENPQUGW-GUYCJALGSA-N 0 3 321.421 2.396 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC12CCN(CCOCCC#N)CC2 ZINC000496766112 340012388 /nfs/dbraw/zinc/01/23/88/340012388.db2.gz IFQIINNQQMNHEF-UHFFFAOYSA-N 0 3 323.437 2.392 20 30 DEEDHN CC(=NNC1=N[C@@H](C)CN1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496840652 340014269 /nfs/dbraw/zinc/01/42/69/340014269.db2.gz QHKMOEYLXJPKBS-AAEUAGOBSA-N 0 3 323.441 2.089 20 30 DEEDHN CN(C[C@H]1CCN(CCOCCC#N)C1)C(=O)OC(C)(C)C ZINC000496981323 340017495 /nfs/dbraw/zinc/01/74/95/340017495.db2.gz ZNGJTQVWPDWDHP-CQSZACIVSA-N 0 3 311.426 2.105 20 30 DEEDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCOCCC#N ZINC000497079450 340019776 /nfs/dbraw/zinc/01/97/76/340019776.db2.gz IHAQKRNDYILXMK-KGLIPLIRSA-N 0 3 311.426 2.152 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001376355538 1159355899 /nfs/dbraw/zinc/35/58/99/1159355899.db2.gz CNZLQYSZNGBFMY-RAIGVLPGSA-N 0 3 304.394 2.003 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000546680484 341178561 /nfs/dbraw/zinc/17/85/61/341178561.db2.gz XCEDRXQCMWYSOR-JKSUJKDBSA-N 0 3 322.449 2.123 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000546680482 341178602 /nfs/dbraw/zinc/17/86/02/341178602.db2.gz XCEDRXQCMWYSOR-HOTGVXAUSA-N 0 3 322.449 2.123 20 30 DEEDHN CCC[C@]1(COC)CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000248716269 341384992 /nfs/dbraw/zinc/38/49/92/341384992.db2.gz BJZFMHLOGGJOBD-NVXWUHKLSA-N 0 3 309.454 2.276 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1C[C@H](OC)C1(CC)CC ZINC000248841797 341388265 /nfs/dbraw/zinc/38/82/65/341388265.db2.gz QADDCXBMPRBKQL-KFWWJZLASA-N 0 3 309.454 2.178 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CC)C(=O)CN(C)CCC)C1 ZINC001378220470 1152229582 /nfs/dbraw/zinc/22/95/82/1152229582.db2.gz XNBHPOYSSDSQEE-CQSZACIVSA-N 0 3 301.862 2.004 20 30 DEEDHN CC[C@@H](CNC(=O)c1cccn1C)NCc1ccc(C#N)s1 ZINC001378225100 1152234566 /nfs/dbraw/zinc/23/45/66/1152234566.db2.gz INCIWTILGQFOJC-LBPRGKRZSA-N 0 3 316.430 2.256 20 30 DEEDHN COC(=O)CCCN1CCC(=NNCc2ccc(C)cc2)CC1 ZINC000835008804 649866140 /nfs/dbraw/zinc/86/61/40/649866140.db2.gz ORBAEDIBBFTAIY-UHFFFAOYSA-N 0 3 317.433 2.490 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cnoc1CC)C1CC1 ZINC001378395891 1152315721 /nfs/dbraw/zinc/31/57/21/1152315721.db2.gz DTLXRVUYDBVBDN-HNNXBMFYSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cn2nccc2C)CCCCC1 ZINC001378415016 1152321858 /nfs/dbraw/zinc/32/18/58/1152321858.db2.gz FHQCKCDCVVTAKD-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)[C@H](CC)N(C)C)C(C)C ZINC001369523687 1149015041 /nfs/dbraw/zinc/01/50/41/1149015041.db2.gz DBSYXMHVJFBHFM-AWEZNQCLSA-N 0 3 303.878 2.248 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cn1ccc(C(F)F)n1 ZINC001399346457 1161357284 /nfs/dbraw/zinc/35/72/84/1161357284.db2.gz WUPUGPRCNUSFTL-JTQLQIEISA-N 0 3 320.771 2.058 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378743806 1152432221 /nfs/dbraw/zinc/43/22/21/1152432221.db2.gz NYUMOHRNTGTVIX-MLGOLLRUSA-N 0 3 321.396 2.059 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)[C@H]1C ZINC001089084545 782157085 /nfs/dbraw/zinc/15/70/85/782157085.db2.gz RJUWDWDUPIWWTD-DOMZBBRYSA-N 0 3 315.417 2.045 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cc[nH]c1 ZINC001378779390 1152444144 /nfs/dbraw/zinc/44/41/44/1152444144.db2.gz SZUHARHLAFVAMF-LLVKDONJSA-N 0 3 302.403 2.198 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cc(F)ccc1F ZINC001401318301 1161928059 /nfs/dbraw/zinc/92/80/59/1161928059.db2.gz NRXMLCGDFFUAIK-XHDPSFHLSA-N 0 3 309.360 2.355 20 30 DEEDHN COc1ccccc1C[C@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424143773 534116016 /nfs/dbraw/zinc/11/60/16/534116016.db2.gz RKSJQKWIDPYKLC-DZGCQCFKSA-N 0 3 303.406 2.106 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CN(C)CCOc1ccc(Cl)cc1 ZINC001401736952 1162100888 /nfs/dbraw/zinc/10/08/88/1162100888.db2.gz RVDHOGRZTNZWOP-CHWSQXEVSA-N 0 3 323.824 2.315 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C)cc1 ZINC000287462092 534290737 /nfs/dbraw/zinc/29/07/37/534290737.db2.gz XQZYPXOKZPITBE-VXGBXAGGSA-N 0 3 321.402 2.389 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000515314035 518181464 /nfs/dbraw/zinc/18/14/64/518181464.db2.gz MQCJUFVXIKNDMZ-RISCZKNCSA-N 0 3 308.813 2.402 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCC1(c2ccccc2)CC1 ZINC000451673894 534572010 /nfs/dbraw/zinc/57/20/10/534572010.db2.gz MHIRFZMHGBCHRA-SJORKVTESA-N 0 3 314.429 2.158 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(CC)Cc1cccc(F)c1 ZINC000451597206 534607682 /nfs/dbraw/zinc/60/76/82/534607682.db2.gz HYIQMPNDBRCJDH-CVEARBPZSA-N 0 3 306.381 2.107 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)c1ccccc1Cl ZINC000451600585 534608701 /nfs/dbraw/zinc/60/87/01/534608701.db2.gz RHHMMUIXYGRHGQ-DFBGVHRSSA-N 0 3 308.809 2.450 20 30 DEEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCCn1ccnc1 ZINC000124318562 524279384 /nfs/dbraw/zinc/27/93/84/524279384.db2.gz RJCLFIQQFVQIJW-AWEZNQCLSA-N 0 3 311.389 2.104 20 30 DEEDHN C=CCN(Cc1ccccc1F)C(=O)C[C@H]1CSCCN1 ZINC000237823236 526362138 /nfs/dbraw/zinc/36/21/38/526362138.db2.gz UYSLQSCRNQLNAQ-AWEZNQCLSA-N 0 3 308.422 2.435 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000373546195 526426687 /nfs/dbraw/zinc/42/66/87/526426687.db2.gz XUHAHEHSOXJKNW-QGZVFWFLSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccoc2Br)CC1 ZINC000193557614 526449781 /nfs/dbraw/zinc/44/97/81/526449781.db2.gz OQERSAPIINRMSN-UHFFFAOYSA-N 0 3 313.195 2.422 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429038699 526522271 /nfs/dbraw/zinc/52/22/71/526522271.db2.gz GEHWQTXLBBZFMK-BRWVUGGUSA-N 0 3 307.482 2.073 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429010954 526541804 /nfs/dbraw/zinc/54/18/04/526541804.db2.gz RLJYXMLOXGGELG-VSZNYVQBSA-N 0 3 321.509 2.462 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000247661313 526594232 /nfs/dbraw/zinc/59/42/32/526594232.db2.gz XNDLDVLPFLXOPW-BBWFWOEESA-N 0 3 321.465 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)CC1 ZINC000189278464 526597682 /nfs/dbraw/zinc/59/76/82/526597682.db2.gz IHSPKQOJYCTCFS-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCOc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000290243391 526743553 /nfs/dbraw/zinc/74/35/53/526743553.db2.gz ZSRRUWOBTNIYCA-INIZCTEOSA-N 0 3 321.442 2.003 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000296725077 526809624 /nfs/dbraw/zinc/80/96/24/526809624.db2.gz CKUMUAYZOPVEDL-OAHLLOKOSA-N 0 3 320.462 2.253 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nc2ccccc2s1 ZINC000296688948 526820975 /nfs/dbraw/zinc/82/09/75/526820975.db2.gz YCNFGUBFLPHORI-UHFFFAOYSA-N 0 3 302.403 2.373 20 30 DEEDHN C#CCN(C)CCCNc1ncccc1C(=O)N1CCCCC1 ZINC000292758708 526830105 /nfs/dbraw/zinc/83/01/05/526830105.db2.gz KCOZEWBSMXJJSR-UHFFFAOYSA-N 0 3 314.433 2.075 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000341416223 526961479 /nfs/dbraw/zinc/96/14/79/526961479.db2.gz GTZGRNWNHISVJE-LSDHHAIUSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCNC(=O)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000375570277 526969396 /nfs/dbraw/zinc/96/93/96/526969396.db2.gz YBYBJGAWOGLUSM-KRWDZBQOSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340263000 527119229 /nfs/dbraw/zinc/11/92/29/527119229.db2.gz ZXBDEUYTKYQZTJ-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN CC(C)(C#N)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000369681407 527456419 /nfs/dbraw/zinc/45/64/19/527456419.db2.gz LJRTWQHBUFHPTP-UHFFFAOYSA-N 0 3 309.479 2.404 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@@H](C)N(C[C@@H](O)CCC=C)C[C@@H]1C ZINC000441907522 527457296 /nfs/dbraw/zinc/45/72/96/527457296.db2.gz WKRROVYKPASSTP-FZDBZEDMSA-N 0 3 310.482 2.035 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000373140535 527607743 /nfs/dbraw/zinc/60/77/43/527607743.db2.gz NFMKQXKHYREKMB-IRXDYDNUSA-N 0 3 306.450 2.326 20 30 DEEDHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCCN1CCC(C)CC1 ZINC000330338990 527914003 /nfs/dbraw/zinc/91/40/03/527914003.db2.gz WDJLHPNNBYROAK-HZPDHXFCSA-N 0 3 311.470 2.283 20 30 DEEDHN CCO[C@H]1C[C@H](N[C@@H](C)C(=O)N(C)CCC#N)C1(CC)CC ZINC000178667336 528143993 /nfs/dbraw/zinc/14/39/93/528143993.db2.gz XFOFBMMCDMNYTF-KKUMJFAQSA-N 0 3 309.454 2.320 20 30 DEEDHN CC(C)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000330970848 528730897 /nfs/dbraw/zinc/73/08/97/528730897.db2.gz BKACJWCBKYDUNL-SJORKVTESA-N 0 3 311.385 2.124 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000371331562 535202331 /nfs/dbraw/zinc/20/23/31/535202331.db2.gz IYKNASJFAKVXMV-HNNXBMFYSA-N 0 3 318.490 2.220 20 30 DEEDHN COc1ccc(C#N)cc1CN1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000343589296 536645560 /nfs/dbraw/zinc/64/55/60/536645560.db2.gz VGDSFCFIRZWDCZ-HOCLYGCPSA-N 0 3 305.447 2.044 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001369742001 1149128853 /nfs/dbraw/zinc/12/88/53/1149128853.db2.gz DHBAUSNCUBEBPH-QWHCGFSZSA-N 0 3 310.829 2.064 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cnccc1C)C(C)C ZINC001378968849 1152512134 /nfs/dbraw/zinc/51/21/34/1152512134.db2.gz YTIHAZKDHLXDIS-HNNXBMFYSA-N 0 3 309.841 2.415 20 30 DEEDHN CN(C(=O)C1CC1)[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001378989262 1152520950 /nfs/dbraw/zinc/52/09/50/1152520950.db2.gz YTSXADDWVQFCIK-QGZVFWFLSA-N 0 3 315.392 2.434 20 30 DEEDHN COC(=O)C[C@H]1CCCCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001414029173 1152531170 /nfs/dbraw/zinc/53/11/70/1152531170.db2.gz NBBGJOUULJKXFJ-HZPDHXFCSA-N 0 3 302.374 2.009 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000835061483 649873897 /nfs/dbraw/zinc/87/38/97/649873897.db2.gz LTEOXUQREXXWCC-UONOGXRCSA-N 0 3 304.346 2.158 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000835064527 649874310 /nfs/dbraw/zinc/87/43/10/649874310.db2.gz FYIDYRSDEYLARB-SMDDNHRTSA-N 0 3 304.346 2.158 20 30 DEEDHN Cc1ccc(F)c(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000835070995 649875038 /nfs/dbraw/zinc/87/50/38/649875038.db2.gz MILSUZLPLITDBQ-AWEZNQCLSA-N 0 3 302.349 2.444 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncc2ccccn21 ZINC001368726560 1148618248 /nfs/dbraw/zinc/61/82/48/1148618248.db2.gz RKUSCTVZQHVHBU-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN CCN(Cc1ccccc1NC(=O)[C@H](N)CCCC#N)C(C)=O ZINC001327915661 1148675931 /nfs/dbraw/zinc/67/59/31/1148675931.db2.gz CVOZMODTXJEGKV-OAHLLOKOSA-N 0 3 316.405 2.015 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccns1 ZINC001379368966 1152616128 /nfs/dbraw/zinc/61/61/28/1152616128.db2.gz JVGPSZDLCBAEHE-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN Cc1ccoc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001379487929 1152631786 /nfs/dbraw/zinc/63/17/86/1152631786.db2.gz PCPDFKDPSFDTBQ-NSHDSACASA-N 0 3 303.387 2.429 20 30 DEEDHN C[C@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)n1cccc1 ZINC001379492863 1152632615 /nfs/dbraw/zinc/63/26/15/1152632615.db2.gz HDROFKPFOUJAJC-QWHCGFSZSA-N 0 3 316.430 2.277 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001379563352 1152643606 /nfs/dbraw/zinc/64/36/06/1152643606.db2.gz PQLOZGGBSXHSCG-NZVBXONLSA-N 0 3 303.431 2.260 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](CNCc2ccn(C(C)C)n2)C1 ZINC001330577607 1149201969 /nfs/dbraw/zinc/20/19/69/1149201969.db2.gz LSCXZZKVOSZCEM-KOMQPUFPSA-N 0 3 304.438 2.415 20 30 DEEDHN C=C(C)COCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823877938 608522154 /nfs/dbraw/zinc/52/21/54/608522154.db2.gz KJPNHZQZFCNQQF-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C=C(C)COCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823877938 608522155 /nfs/dbraw/zinc/52/21/55/608522155.db2.gz KJPNHZQZFCNQQF-INIZCTEOSA-N 0 3 313.405 2.426 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1=CCOCC1 ZINC001381473389 1153079087 /nfs/dbraw/zinc/07/90/87/1153079087.db2.gz WXMNQSLCUSTKDF-UHFFFAOYSA-N 0 3 300.830 2.160 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nc(C)n3ccccc23)C1 ZINC001023491681 625296233 /nfs/dbraw/zinc/29/62/33/625296233.db2.gz SCRHGEZNCLMVMV-MRXNPFEDSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)noc2C2CC2)C1 ZINC001023494268 625297035 /nfs/dbraw/zinc/29/70/35/625297035.db2.gz DKYFIKQBOIFGIZ-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1coc(OC)n1 ZINC001025254404 625310588 /nfs/dbraw/zinc/31/05/88/625310588.db2.gz ITXBUPZIHSCKPT-HUUCEWRRSA-N 0 3 319.405 2.328 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001023564900 625326801 /nfs/dbraw/zinc/32/68/01/625326801.db2.gz VOFLZSRNVRFRGE-GTPINHCMSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ncccn1 ZINC001025286037 625324675 /nfs/dbraw/zinc/32/46/75/625324675.db2.gz XUKJYBJAJNVXKI-HUUCEWRRSA-N 0 3 300.406 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C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(F)cc2F)C1 ZINC001025605680 625633425 /nfs/dbraw/zinc/63/34/25/625633425.db2.gz KFTJUHSZYPVFIT-CHWSQXEVSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc3onc(C)c3c2)C1 ZINC000970249321 623356866 /nfs/dbraw/zinc/35/68/66/623356866.db2.gz VPWYGZWPIWDBHT-NSHDSACASA-N 0 3 314.389 2.157 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001021148631 623384646 /nfs/dbraw/zinc/38/46/46/623384646.db2.gz KWAUDDKKBYWXPH-MRVWCRGKSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(CC)ncnc2CC)C1 ZINC000970435573 623453027 /nfs/dbraw/zinc/45/30/27/623453027.db2.gz CPSYRHQTBVJTCV-ZDUSSCGKSA-N 0 3 316.449 2.228 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC000970545185 623532152 /nfs/dbraw/zinc/53/21/52/623532152.db2.gz WVCLQMWYLVZYSK-CYBMUJFWSA-N 0 3 317.433 2.366 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)n(C)c2C)C1 ZINC001025618284 625655940 /nfs/dbraw/zinc/65/59/40/625655940.db2.gz 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C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(CC)ccn2)C1 ZINC001021587414 623791769 /nfs/dbraw/zinc/79/17/69/623791769.db2.gz KNUZKPDAYJZZEZ-WMZOPIPTSA-N 0 3 311.429 2.204 20 30 DEEDHN CN(Cc1ccc(OCC#N)cc1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970922730 623794554 /nfs/dbraw/zinc/79/45/54/623794554.db2.gz ASAMIJOVSMYYFA-MRXNPFEDSA-N 0 3 313.401 2.032 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccn2CC=C)C1 ZINC001021605098 623818030 /nfs/dbraw/zinc/81/80/30/623818030.db2.gz KBWMULYXXVTHBN-DLBZAZTESA-N 0 3 311.429 2.234 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970950835 623826101 /nfs/dbraw/zinc/82/61/01/623826101.db2.gz PTCPWSBAIIKZNN-AWEZNQCLSA-N 0 3 307.344 2.246 20 30 DEEDHN COc1cccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000175944419 623870662 /nfs/dbraw/zinc/87/06/62/623870662.db2.gz HHTWUISZJCMIQT-IAQYHMDHSA-N 0 3 300.358 2.176 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccn2CC)C1 ZINC001025628670 625682011 /nfs/dbraw/zinc/68/20/11/625682011.db2.gz SZMRWKKBOUZHHF-JKSUJKDBSA-N 0 3 301.434 2.362 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C(C)C)cn2)C1 ZINC001021640916 623885339 /nfs/dbraw/zinc/88/53/39/623885339.db2.gz YUAFNHSNHYVFMG-NVXWUHKLSA-N 0 3 314.433 2.024 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001021675026 623939304 /nfs/dbraw/zinc/93/93/04/623939304.db2.gz UFAPRDBUFWCHLD-YOEHRIQHSA-N 0 3 314.433 2.093 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc(CC)s2)C1 ZINC001025630065 625687133 /nfs/dbraw/zinc/68/71/33/625687133.db2.gz OSOHLFNLQBDCDW-QWHCGFSZSA-N 0 3 305.447 2.169 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2coc(CCC)n2)C1 ZINC001021714900 623998743 /nfs/dbraw/zinc/99/87/43/623998743.db2.gz YPGKZSPIMVXAMX-GOEBONIOSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ncccc2Cl)C1 ZINC001021720788 624004648 /nfs/dbraw/zinc/00/46/48/624004648.db2.gz ZEXBXDSLQXDFHS-HIFRSBDPSA-N 0 3 317.820 2.295 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ncccc2Cl)C1 ZINC001021720789 624004742 /nfs/dbraw/zinc/00/47/42/624004742.db2.gz ZEXBXDSLQXDFHS-UKRRQHHQSA-N 0 3 317.820 2.295 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2sc(C)nc2C)C1 ZINC001021727608 624009225 /nfs/dbraw/zinc/00/92/25/624009225.db2.gz NESYESPNCLEMCS-GJZGRUSLSA-N 0 3 317.458 2.320 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2n[nH]c3ccccc32)C1 ZINC001021727165 624009680 /nfs/dbraw/zinc/00/96/80/624009680.db2.gz JJIQRLQEPUKTOY-RHSMWYFYSA-N 0 3 322.412 2.123 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)c3ccco3)C2)c1 ZINC001021782083 624075117 /nfs/dbraw/zinc/07/51/17/624075117.db2.gz IXNJFVJOTGBAIF-OKILXGFUSA-N 0 3 313.332 2.341 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)c3ccco3)C2)c(F)c1 ZINC001021782045 624075143 /nfs/dbraw/zinc/07/51/43/624075143.db2.gz ICMYSOYOJYEYRY-OKILXGFUSA-N 0 3 313.332 2.341 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncc(OC)c2C)C[C@H]1C ZINC000947446261 624139917 /nfs/dbraw/zinc/13/99/17/624139917.db2.gz SUKQYAYGZOPESM-OCCSQVGLSA-N 0 3 303.406 2.167 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC000971539038 624184184 /nfs/dbraw/zinc/18/41/84/624184184.db2.gz IVEOLSJWNQBZNC-VXGBXAGGSA-N 0 3 309.435 2.183 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ncnc3sccc32)C1 ZINC000971562142 624187435 /nfs/dbraw/zinc/18/74/35/624187435.db2.gz CQJKNLZOVPNHRE-NSHDSACASA-N 0 3 302.403 2.024 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000971585042 624191200 /nfs/dbraw/zinc/19/12/00/624191200.db2.gz MTHNLJFPOQSFTO-KRWDZBQOSA-N 0 3 308.385 2.233 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC000971594690 624191551 /nfs/dbraw/zinc/19/15/51/624191551.db2.gz UCCNUEXBBWGROC-INIZCTEOSA-N 0 3 315.417 2.286 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC000971654196 624481035 /nfs/dbraw/zinc/48/10/35/624481035.db2.gz FJDQEEAVEKNZQP-ZWKOTPCHSA-N 0 3 313.445 2.374 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2scnc2C(F)(F)F)C1 ZINC000971703999 624511077 /nfs/dbraw/zinc/51/10/77/624511077.db2.gz OWPAWXVDRUWMGD-VIFPVBQESA-N 0 3 319.352 2.494 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cccc3cnccc32)C1 ZINC000971788917 624547963 /nfs/dbraw/zinc/54/79/63/624547963.db2.gz SHHUKGLKPWIYBC-KRWDZBQOSA-N 0 3 309.413 2.496 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000998745909 634392516 /nfs/dbraw/zinc/39/25/16/634392516.db2.gz KRTXJSKROGBPPZ-BXUZGUMPSA-N 0 3 307.344 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001022342825 624608107 /nfs/dbraw/zinc/60/81/07/624608107.db2.gz GMAOFTFAWUFOSY-BETUJISGSA-N 0 3 310.829 2.241 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cc(C)ccc2F)C1 ZINC001027655574 634395165 /nfs/dbraw/zinc/39/51/65/634395165.db2.gz XTRRYJJTZLCZRX-MRXNPFEDSA-N 0 3 302.393 2.233 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2CCOC2)c1 ZINC000176091264 624623685 /nfs/dbraw/zinc/62/36/85/624623685.db2.gz JGLFZDMVURGPCO-DZGCQCFKSA-N 0 3 300.358 2.459 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(Cl)cnn2C)C1 ZINC000998776325 634400679 /nfs/dbraw/zinc/40/06/79/634400679.db2.gz VGXLGXNEHHNHGT-UHFFFAOYSA-N 0 3 317.220 2.019 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC000971999117 624763178 /nfs/dbraw/zinc/76/31/78/624763178.db2.gz ATWSFFWJWCRUOK-AWEZNQCLSA-N 0 3 314.389 2.012 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001022607342 624780256 /nfs/dbraw/zinc/78/02/56/624780256.db2.gz VJXMCOQYDHSMNY-KKOKHZNYSA-N 0 3 319.218 2.270 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCc3cc(C)ncn3)C2)CC1 ZINC001022655390 624798397 /nfs/dbraw/zinc/79/83/97/624798397.db2.gz FHAXICGKOJCBBJ-IYBDPMFKSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3cnccn3)C2)C1 ZINC001022675434 624815049 /nfs/dbraw/zinc/81/50/49/624815049.db2.gz XGZHHEJGMWBMEF-MELADBBJSA-N 0 3 300.406 2.131 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC000972066430 624815865 /nfs/dbraw/zinc/81/58/65/624815865.db2.gz GQBUGFHXJIYLLO-HNNXBMFYSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2CCC)C[C@@H]1C ZINC000947494693 624852316 /nfs/dbraw/zinc/85/23/16/624852316.db2.gz ZYKVKZAEZZMCOZ-UONOGXRCSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2occc2-c2cnn(C)c2)C1 ZINC000972162001 624873776 /nfs/dbraw/zinc/87/37/76/624873776.db2.gz HZDRDKUKDSKSFL-AWEZNQCLSA-N 0 3 314.389 2.012 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC000972248238 624903394 /nfs/dbraw/zinc/90/33/94/624903394.db2.gz XTLDNEKGLNFUNM-WMZOPIPTSA-N 0 3 318.465 2.098 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001027671432 634419037 /nfs/dbraw/zinc/41/90/37/634419037.db2.gz GWUITWLMEBURGA-IAGOWNOFSA-N 0 3 314.429 2.318 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(CCC1CCCC1)CCO2 ZINC000972299025 624919345 /nfs/dbraw/zinc/91/93/45/624919345.db2.gz XDKAFELCQXJSHQ-YJBOKZPZSA-N 0 3 319.449 2.030 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001022859474 625035098 /nfs/dbraw/zinc/03/50/98/625035098.db2.gz AACPOGOWMWGVTQ-BETUJISGSA-N 0 3 310.829 2.123 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001024775773 625052271 /nfs/dbraw/zinc/05/22/71/625052271.db2.gz HWINFAQNBCCWCM-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1 ZINC001027677581 634430716 /nfs/dbraw/zinc/43/07/16/634430716.db2.gz WIMQCBGOSSSPCY-CQSZACIVSA-N 0 3 320.820 2.275 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001020259846 625058833 /nfs/dbraw/zinc/05/88/33/625058833.db2.gz XOOCXNSJTDTNQN-MGCOHNPYSA-N 0 3 312.826 2.018 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(C)noc2C(F)(F)F)C1 ZINC000972435199 625079780 /nfs/dbraw/zinc/07/97/80/625079780.db2.gz CVNRNDRNBSXQDS-SNVBAGLBSA-N 0 3 317.311 2.334 20 30 DEEDHN CCC[C@@H]1CN(c2cc(C)cc(C#N)n2)CCN1CCOC ZINC000893056800 625083148 /nfs/dbraw/zinc/08/31/48/625083148.db2.gz RFKKIAUGHCKGDD-MRXNPFEDSA-N 0 3 302.422 2.199 20 30 DEEDHN O=C(C#CC1CC1)N1CCCC[C@@H]1CNCc1ccns1 ZINC001024960445 625119900 /nfs/dbraw/zinc/11/99/00/625119900.db2.gz TYJQYGPQZMMMHO-CQSZACIVSA-N 0 3 303.431 2.027 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(c3cc(C)no3)CC2)C[C@H]1C ZINC000947653579 625123142 /nfs/dbraw/zinc/12/31/42/625123142.db2.gz PPMWEAQRZGXDPJ-CABCVRRESA-N 0 3 315.417 2.007 20 30 DEEDHN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026127530 625144238 /nfs/dbraw/zinc/14/42/38/625144238.db2.gz CWJZAMDLEAUNQT-LTFXXXRZSA-N 0 3 323.440 2.397 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001026132195 625146276 /nfs/dbraw/zinc/14/62/76/625146276.db2.gz IOZBJEFFLAANDU-JVVIJLGSSA-N 0 3 308.425 2.123 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccnn1C ZINC001025041134 625158506 /nfs/dbraw/zinc/15/85/06/625158506.db2.gz UAAABGYRLYCNPV-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN COc1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1C#N ZINC000893195164 625220414 /nfs/dbraw/zinc/22/04/14/625220414.db2.gz UWEVHUVBJXZGGG-LSDHHAIUSA-N 0 3 320.364 2.290 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCOCC1 ZINC001025190401 625251108 /nfs/dbraw/zinc/25/11/08/625251108.db2.gz WUCSTUONRYHNPL-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001027690933 634446019 /nfs/dbraw/zinc/44/60/19/634446019.db2.gz SHUVUPKLVKEQPB-IRXDYDNUSA-N 0 3 302.393 2.123 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1=COCCC1 ZINC001025208383 625265541 /nfs/dbraw/zinc/26/55/41/625265541.db2.gz USRIFGLPWRHGQN-SJORKVTESA-N 0 3 302.418 2.159 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001024439937 625775801 /nfs/dbraw/zinc/77/58/01/625775801.db2.gz IBZSWDJXPBWJEP-CVEARBPZSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001024454737 625785454 /nfs/dbraw/zinc/78/54/54/625785454.db2.gz HJBUMLHFORSSSF-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001024461540 625787829 /nfs/dbraw/zinc/78/78/29/625787829.db2.gz LMNGPGJJJCLOCA-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001024469058 625796191 /nfs/dbraw/zinc/79/61/91/625796191.db2.gz UEYNSZBRCMOHLS-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@@H](OCCO)C2)cc1 ZINC000179576675 625803962 /nfs/dbraw/zinc/80/39/62/625803962.db2.gz TYOGQKIVJBLZQP-GOSISDBHSA-N 0 3 303.402 2.062 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001024475467 625805476 /nfs/dbraw/zinc/80/54/76/625805476.db2.gz PBHJKWWXBVNYHW-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC2CC(S(C)(=O)=O)C2)c1 ZINC000892973431 625828469 /nfs/dbraw/zinc/82/84/69/625828469.db2.gz RCRDVPDBOFBDHZ-BBBYJDLNSA-N 0 3 322.430 2.033 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001024522045 625835969 /nfs/dbraw/zinc/83/59/69/625835969.db2.gz XXQYLZWIQGMNLC-MRXNPFEDSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCN1CCCC[C@H]1CNC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001024528136 625842972 /nfs/dbraw/zinc/84/29/72/625842972.db2.gz GHAGWAZWGIHSRY-LBPRGKRZSA-N 0 3 320.824 2.158 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001024535830 625852706 /nfs/dbraw/zinc/85/27/06/625852706.db2.gz YKXMFPHGQHWJRG-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)CO1 ZINC000892494655 625891955 /nfs/dbraw/zinc/89/19/55/625891955.db2.gz FMWDJFIVMFFRFQ-ZOWXZIJZSA-N 0 3 316.357 2.158 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ncsc3C(C)C)[C@@H]2C1 ZINC000978947662 634461343 /nfs/dbraw/zinc/46/13/43/634461343.db2.gz HXYWOQPQFQPGPE-ZSOGYDGISA-N 0 3 317.458 2.197 20 30 DEEDHN Cc1ncc(C=CC(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000255870221 625962646 /nfs/dbraw/zinc/96/26/46/625962646.db2.gz XVKJCJZMQKASEH-FJOGCWAESA-N 0 3 312.354 2.207 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(CC(C)C)c[nH]3)[C@@H]2C1 ZINC000978991364 634471820 /nfs/dbraw/zinc/47/18/20/634471820.db2.gz ZIKLTQAHGRUEGC-OSYLJGHBSA-N 0 3 313.445 2.144 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccccc4n3CC)[C@@H]2C1 ZINC000979105586 634502694 /nfs/dbraw/zinc/50/26/94/634502694.db2.gz TXFANOWRWQSIMC-OSYLJGHBSA-N 0 3 321.424 2.202 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncccc2OC(C)C)C1 ZINC001016139639 634537399 /nfs/dbraw/zinc/53/73/99/634537399.db2.gz BWLIFZMFCMMPRA-CQSZACIVSA-N 0 3 303.406 2.249 20 30 DEEDHN CC(C)(C)OC(=O)NCCN1CCC(NCC(C)(C)C#N)CC1 ZINC000893552498 634597881 /nfs/dbraw/zinc/59/78/81/634597881.db2.gz WESKZYHJEYTDRM-UHFFFAOYSA-N 0 3 324.469 2.115 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@H](N[C@@H](C)c3n[nH]c(C)n3)C2)C1 ZINC001000138367 634763632 /nfs/dbraw/zinc/76/36/32/634763632.db2.gz SZOLWCCFSCJDMF-JSGCOSHPSA-N 0 3 317.437 2.111 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC001000174234 634777631 /nfs/dbraw/zinc/77/76/31/634777631.db2.gz MOTDAGZTDNQBGD-ZDUSSCGKSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(OC)cs3)CC2)CC1 ZINC001000231077 634806277 /nfs/dbraw/zinc/80/62/77/634806277.db2.gz XQXQXENJHHSGJC-UHFFFAOYSA-N 0 3 318.442 2.364 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001024706368 632935351 /nfs/dbraw/zinc/93/53/51/632935351.db2.gz XZLPRVNASAXLEG-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001024713814 632942418 /nfs/dbraw/zinc/94/24/18/632942418.db2.gz OJMUUOCNSAMIIN-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN Cc1ccncc1CN[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995800529 633119098 /nfs/dbraw/zinc/11/90/98/633119098.db2.gz ZVUYDCOZLNKFBR-KRWDZBQOSA-N 0 3 311.429 2.130 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3cccnc3n2)C(C)(C)C1 ZINC000974611131 633181695 /nfs/dbraw/zinc/18/16/95/633181695.db2.gz JASIYIRDXJKSQU-MRXNPFEDSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnn2C(C)C)C(C)(C)C1 ZINC000974642799 633199297 /nfs/dbraw/zinc/19/92/97/633199297.db2.gz YNNGQMPFKJUAJO-HNNXBMFYSA-N 0 3 304.438 2.480 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974742039 633281525 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DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc(C3CCCC3)n2)C1 ZINC000989624406 641173141 /nfs/dbraw/zinc/17/31/41/641173141.db2.gz DVHWLCVYXZOMSJ-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000989647612 641181853 /nfs/dbraw/zinc/18/18/53/641181853.db2.gz XSUQETNASIQVSU-BLLLJJGKSA-N 0 3 311.360 2.200 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769285417 641210139 /nfs/dbraw/zinc/21/01/39/641210139.db2.gz YYNNPLGZEZCJFN-CABCVRRESA-N 0 3 320.364 2.337 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(COC(C)C)cc2)C1 ZINC000989778512 641226673 /nfs/dbraw/zinc/22/66/73/641226673.db2.gz FYXZQHUSUWJUGC-CRAIPNDOSA-N 0 3 314.429 2.437 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000989832908 641245205 /nfs/dbraw/zinc/24/52/05/641245205.db2.gz ZTPBQXIPEWWXQV-NEPJUHHUSA-N 0 3 305.447 2.266 20 30 DEEDHN CC(C)(F)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989845962 641253333 /nfs/dbraw/zinc/25/33/33/641253333.db2.gz 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/nfs/dbraw/zinc/69/47/58/650694758.db2.gz DTNDXLPPLYZUKG-BFHYXJOUSA-N 0 3 300.358 2.032 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC ZINC000842288704 650694926 /nfs/dbraw/zinc/69/49/26/650694926.db2.gz JDRDJUNWPFXDNU-WFASDCNBSA-N 0 3 318.373 2.404 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(CC#CC)CC2 ZINC000990741642 641855083 /nfs/dbraw/zinc/85/50/83/641855083.db2.gz NHVYODXJNVQZKE-NTDBWNAOSA-N 0 3 316.445 2.104 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775228462 642018013 /nfs/dbraw/zinc/01/80/13/642018013.db2.gz WFJUOQMVEUMSDK-ZDUSSCGKSA-N 0 3 312.325 2.487 20 30 DEEDHN C#CCN(C(=S)Nc1ccc(OC)cc1)C1CCN(C)CC1 ZINC000899613561 642118657 /nfs/dbraw/zinc/11/86/57/642118657.db2.gz GOWUFVLOEGVFRE-UHFFFAOYSA-N 0 3 317.458 2.421 20 30 DEEDHN C#CCNC(=O)CN[C@H](COc1c(C)cccc1C)C(C)(C)C ZINC000776034792 642124704 /nfs/dbraw/zinc/12/47/04/642124704.db2.gz XYZMEASMSGUEOU-MRXNPFEDSA-N 0 3 316.445 2.436 20 30 DEEDHN C#CCNC(=O)CN[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000776493905 642178262 /nfs/dbraw/zinc/17/82/62/642178262.db2.gz NIFCDJRTSFECCL-IRXDYDNUSA-N 0 3 300.402 2.024 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)c1ccnn1CCN(C)C ZINC000900071921 642250787 /nfs/dbraw/zinc/25/07/87/642250787.db2.gz SWEKVRHBCWXMNP-UHFFFAOYSA-N 0 3 318.446 2.335 20 30 DEEDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)CC(C)(C)C#N ZINC000777817315 642310330 /nfs/dbraw/zinc/31/03/30/642310330.db2.gz HAPHLKJKYQABIA-UHFFFAOYSA-N 0 3 317.499 2.166 20 30 DEEDHN CN(C)CCN(C(=O)c1cccc(C#CCO)c1)c1ccccc1 ZINC000900429390 642368471 /nfs/dbraw/zinc/36/84/71/642368471.db2.gz JFTWAQUTILXYQA-UHFFFAOYSA-N 0 3 322.408 2.239 20 30 DEEDHN C#CCN1CCC[C@H]1COC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000778633352 642413950 /nfs/dbraw/zinc/41/39/50/642413950.db2.gz BTYNWALCZXUMKJ-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnc(NC3CCC3)c2)CC1 ZINC000900599091 642417965 /nfs/dbraw/zinc/41/79/65/642417965.db2.gz NQDSISBBARFHMD-UHFFFAOYSA-N 0 3 314.433 2.426 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3nn(C)cc3Cl)CCC[C@@H]12 ZINC000990869609 642557886 /nfs/dbraw/zinc/55/78/86/642557886.db2.gz IOCFACHTZKMLSR-CJNGLKHVSA-N 0 3 322.840 2.376 20 30 DEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000780670599 642658158 /nfs/dbraw/zinc/65/81/58/642658158.db2.gz MQHWJMWRUDDFKB-QWHCGFSZSA-N 0 3 302.378 2.193 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C4CC4)nn3C)CCC[C@H]12 ZINC000990891398 642720021 /nfs/dbraw/zinc/72/00/21/642720021.db2.gz NNLZXMQTSMLOME-WMZOPIPTSA-N 0 3 314.433 2.210 20 30 DEEDHN C=CC[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000901706991 642762726 /nfs/dbraw/zinc/76/27/26/642762726.db2.gz SNPNTNNXZGSXQG-SJORKVTESA-N 0 3 319.449 2.063 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCCCS1 ZINC000783349876 642996606 /nfs/dbraw/zinc/99/66/06/642996606.db2.gz KQEFEMIRKAVVIL-KBPBESRZSA-N 0 3 302.399 2.297 20 30 DEEDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C#N)c1 ZINC000903399006 643344263 /nfs/dbraw/zinc/34/42/63/643344263.db2.gz 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/nfs/dbraw/zinc/77/90/78/643779078.db2.gz XXFHGAOSHPLROI-MDXIRLPMSA-N 0 3 315.329 2.145 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H]2[N@H+](C)CCCC2(C)C)c1[O-] ZINC000790599361 643870734 /nfs/dbraw/zinc/87/07/34/643870734.db2.gz WTWLPWOGHKLJJL-QANDDYDISA-N 0 3 305.422 2.127 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H]2[N@@H+](C)CCCC2(C)C)c1[O-] ZINC000790599361 643870737 /nfs/dbraw/zinc/87/07/37/643870737.db2.gz WTWLPWOGHKLJJL-QANDDYDISA-N 0 3 305.422 2.127 20 30 DEEDHN COc1cccc(Cl)c1CC(=O)C(C#N)C(=O)NC(C)C ZINC000790766281 643891310 /nfs/dbraw/zinc/89/13/10/643891310.db2.gz CTVSACSMCPYLNA-NSHDSACASA-N 0 3 308.765 2.125 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCCc3cccnc32)cc1 ZINC000905602102 643960983 /nfs/dbraw/zinc/96/09/83/643960983.db2.gz NBTOFBSHQPBSQV-WMZOPIPTSA-N 0 3 323.396 2.360 20 30 DEEDHN CC(C)(C(=O)NCc1ccc(OCC#N)cc1)N1CCCCC1 ZINC000906537466 644279123 /nfs/dbraw/zinc/27/91/23/644279123.db2.gz ZELSMHVNICQHSX-UHFFFAOYSA-N 0 3 315.417 2.470 20 30 DEEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000794575356 644439333 /nfs/dbraw/zinc/43/93/33/644439333.db2.gz ANYLBMGNVKARFX-UONOGXRCSA-N 0 3 321.808 2.247 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000795329814 644554043 /nfs/dbraw/zinc/55/40/43/644554043.db2.gz RJNGBZFGQMBILP-RDJZCZTQSA-N 0 3 309.413 2.162 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796631753 644767714 /nfs/dbraw/zinc/76/77/14/644767714.db2.gz ITJSXJGRARNCMM-CHWSQXEVSA-N 0 3 306.312 2.447 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000798545497 645035559 /nfs/dbraw/zinc/03/55/59/645035559.db2.gz XWGHQCRMDXAFLX-NVXWUHKLSA-N 0 3 301.434 2.464 20 30 DEEDHN CCOCC1(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)CC1 ZINC000799604863 645194451 /nfs/dbraw/zinc/19/44/51/645194451.db2.gz GFOHNSPRILHZKD-JTQLQIEISA-N 0 3 322.386 2.313 20 30 DEEDHN CCN1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000910280355 645386707 /nfs/dbraw/zinc/38/67/07/645386707.db2.gz QRWTVYSLGWIULI-MAUKXSAKSA-N 0 3 324.428 2.183 20 30 DEEDHN C[C@H](C#N)OCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000801841232 645448459 /nfs/dbraw/zinc/44/84/59/645448459.db2.gz JKVRLOIATGXYIH-OAHLLOKOSA-N 0 3 316.401 2.370 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000801925873 645464038 /nfs/dbraw/zinc/46/40/38/645464038.db2.gz SHHDWZOVVBFQCV-ZDUSSCGKSA-N 0 3 319.361 2.367 20 30 DEEDHN Cc1noc(C[C@@H](NCCO[C@H](C)C#N)c2ccccc2)n1 ZINC000801949006 645468378 /nfs/dbraw/zinc/46/83/78/645468378.db2.gz AKHDUTACNIZYHN-IUODEOHRSA-N 0 3 300.362 2.180 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000806862994 645880621 /nfs/dbraw/zinc/88/06/21/645880621.db2.gz WEKVWVGVAXIHMD-IBGZPJMESA-N 0 3 319.408 2.457 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000912040903 645925206 /nfs/dbraw/zinc/92/52/06/645925206.db2.gz UCPQTJGKIWLAAG-OAHLLOKOSA-N 0 3 317.433 2.330 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000912476797 646083795 /nfs/dbraw/zinc/08/37/95/646083795.db2.gz REAFOXGAZCVREJ-LSDHHAIUSA-N 0 3 306.454 2.461 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000912515928 646093825 /nfs/dbraw/zinc/09/38/25/646093825.db2.gz MFQXQMJAFBNILM-XQQFMLRXSA-N 0 3 306.312 2.302 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCCSC1 ZINC000810530147 646372035 /nfs/dbraw/zinc/37/20/35/646372035.db2.gz WWVISULABYQRAN-KGLIPLIRSA-N 0 3 302.399 2.155 20 30 DEEDHN C=C(CCN(C)C)C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1 ZINC000913505837 646374951 /nfs/dbraw/zinc/37/49/51/646374951.db2.gz WDIZQCTZDFJGSA-JOCHJYFZSA-N 0 3 323.462 2.244 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc4ccccn34)CCC[C@@H]12 ZINC000991498744 646428725 /nfs/dbraw/zinc/42/87/25/646428725.db2.gz BOFCKKAIEFECJH-CRAIPNDOSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnc(OC)c3)CCC[C@H]12 ZINC000991537829 646476961 /nfs/dbraw/zinc/47/69/61/646476961.db2.gz NFGRGCQSNBATPK-WMLDXEAASA-N 0 3 301.390 2.003 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C[C@@H]1C ZINC000947314773 646518995 /nfs/dbraw/zinc/51/89/95/646518995.db2.gz HVWPAJOZJVNOTF-XJKSGUPXSA-N 0 3 312.417 2.411 20 30 DEEDHN CN(C)CCN1C(=O)C(=NOC/C=C\Cl)c2ccccc21 ZINC000811669213 646558085 /nfs/dbraw/zinc/55/80/85/646558085.db2.gz YCVMQLMTQHEJDP-JNFULLQQSA-N 0 3 307.781 2.068 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2csc3cncn32)C[C@H]1C ZINC000947761320 646568081 /nfs/dbraw/zinc/56/80/81/646568081.db2.gz JBMOYYNLVJZADY-OLZOCXBDSA-N 0 3 316.430 2.002 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000811892839 646589334 /nfs/dbraw/zinc/58/93/34/646589334.db2.gz YVCJGDJQVCQPFI-CABCVRRESA-N 0 3 305.809 2.408 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC000948006219 646689305 /nfs/dbraw/zinc/68/93/05/646689305.db2.gz GPVMYFNRPXEFIZ-RHSMWYFYSA-N 0 3 302.393 2.361 20 30 DEEDHN COc1ccc(CNCc2ccc(-n3cncn3)cc2)cc1C#N ZINC000174350875 646807223 /nfs/dbraw/zinc/80/72/23/646807223.db2.gz YCTSUBKRQKDQCF-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3cc(C4CC4)no3)CCC[C@H]12 ZINC000992273510 646923372 /nfs/dbraw/zinc/92/33/72/646923372.db2.gz QYZOCNQKWSPTFX-FUHWJXTLSA-N 0 3 313.401 2.302 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CCC[C@@H]12 ZINC000992282663 646927192 /nfs/dbraw/zinc/92/71/92/646927192.db2.gz ATORDVIUFLCECS-GQUPQBGVSA-N 0 3 320.436 2.319 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccn(C(C)C)n3)CCC[C@@H]12 ZINC000992295797 646934006 /nfs/dbraw/zinc/93/40/06/646934006.db2.gz HMDZPACPUSJIJP-NVXWUHKLSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@](O)(CC)c2ccccc2)CC1 ZINC000840326659 646936811 /nfs/dbraw/zinc/93/68/11/646936811.db2.gz HHWSXHSQKJQXEL-IBGZPJMESA-N 0 3 316.445 2.441 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000815082958 646965096 /nfs/dbraw/zinc/96/50/96/646965096.db2.gz JMYVLFYFHPFDHW-UHFFFAOYSA-N 0 3 322.474 2.119 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnn4c3CCCC4)CCC[C@H]12 ZINC000992392732 646968292 /nfs/dbraw/zinc/96/82/92/646968292.db2.gz CKEWKIMUOHEIMQ-FUHWJXTLSA-N 0 3 314.433 2.132 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3cccc4[nH]c(C)nc43)CCC[C@H]12 ZINC000992395174 646968992 /nfs/dbraw/zinc/96/89/92/646968992.db2.gz SGRUOKJDOWLBSE-QFBILLFUSA-N 0 3 322.412 2.231 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3oc(CC)nc3C)CCC[C@@H]12 ZINC000992398649 646970432 /nfs/dbraw/zinc/97/04/32/646970432.db2.gz HFAYPIPWXFETEL-RDTXWAMCSA-N 0 3 315.417 2.296 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc(C)n(C)c3C)CCC[C@@H]12 ZINC000992464209 647035833 /nfs/dbraw/zinc/03/58/33/647035833.db2.gz LFJBMOIWLOSXHG-IEBWSBKVSA-N 0 3 313.445 2.392 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000913814209 647054396 /nfs/dbraw/zinc/05/43/96/647054396.db2.gz QHNOKSPETSQPCE-JPHXMIBJSA-N 0 3 301.434 2.402 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc(C)s3)CCC[C@H]12 ZINC000992506063 647077709 /nfs/dbraw/zinc/07/77/09/647077709.db2.gz IZTNGRNLKHPJRV-RDJZCZTQSA-N 0 3 302.443 2.345 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)n3nc(C)cc3C)CCC[C@H]12 ZINC000992544710 647102539 /nfs/dbraw/zinc/10/25/39/647102539.db2.gz FXXXZHNFAZFAJN-XYJFISCASA-N 0 3 316.449 2.360 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000152283848 647133851 /nfs/dbraw/zinc/13/38/51/647133851.db2.gz YCWFCTTXYMWSLC-BXUZGUMPSA-N 0 3 304.346 2.158 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1F ZINC000817409064 647287063 /nfs/dbraw/zinc/28/70/63/647287063.db2.gz XRJJZPVMALVCLP-AEFFLSMTSA-N 0 3 314.360 2.272 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000818589275 647483371 /nfs/dbraw/zinc/48/33/71/647483371.db2.gz VFLLREPJTKSRAY-CQSZACIVSA-N 0 3 322.836 2.487 20 30 DEEDHN C#CCN(C)CCCNC(=O)CSCc1ccc(F)cc1 ZINC000818589313 647483553 /nfs/dbraw/zinc/48/35/53/647483553.db2.gz VXSCZXDUDAKYIJ-UHFFFAOYSA-N 0 3 308.422 2.130 20 30 DEEDHN CC(C)=CCN1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000993239370 647565427 /nfs/dbraw/zinc/56/54/27/647565427.db2.gz UOGPUZZEUYPQQQ-ZFWWWQNUSA-N 0 3 300.406 2.435 20 30 DEEDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819083269 647580508 /nfs/dbraw/zinc/58/05/08/647580508.db2.gz YVWMHRHOLZGWQC-FUHWJXTLSA-N 0 3 308.385 2.357 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)[C@H]1C ZINC000993447676 647675772 /nfs/dbraw/zinc/67/57/72/647675772.db2.gz WJUICVPKGMQABY-DGCLKSJQSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@H]1C ZINC000993485133 647684689 /nfs/dbraw/zinc/68/46/89/647684689.db2.gz HTSKTVOQFHCROO-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3nccn32)[C@@H]1C ZINC000993597137 647711709 /nfs/dbraw/zinc/71/17/09/647711709.db2.gz GHAZLLFFYHRLSN-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H]1C ZINC000993639137 647712934 /nfs/dbraw/zinc/71/29/34/647712934.db2.gz CTRHSEIFMWRDIK-DOTOQJQBSA-N 0 3 318.465 2.125 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cncc(C)c2)[C@H]1C ZINC000993641172 647713801 /nfs/dbraw/zinc/71/38/01/647713801.db2.gz LLPDVMOXMQHSDB-NVXWUHKLSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(F)ccc2OC)[C@H]1C ZINC000993671857 647722369 /nfs/dbraw/zinc/72/23/69/647722369.db2.gz NQMBNHYJCKSIQJ-CJNGLKHVSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)nc(OC)c2)[C@@H]1C ZINC000993720075 647730873 /nfs/dbraw/zinc/73/08/73/647730873.db2.gz YWDFNTQBCUUVSZ-GOEBONIOSA-N 0 3 315.417 2.005 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1cccn1 ZINC000819941313 647745180 /nfs/dbraw/zinc/74/51/80/647745180.db2.gz JUWREGCVKMQQHR-UONOGXRCSA-N 0 3 304.394 2.240 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3c2OCC3)[C@H]1C ZINC000993859214 647751933 /nfs/dbraw/zinc/75/19/33/647751933.db2.gz IVOYNSIVAOTKSC-PBHICJAKSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@@H]1C ZINC000993845355 647755183 /nfs/dbraw/zinc/75/51/83/647755183.db2.gz LPKWBTYLZIXWAQ-YJBOKZPZSA-N 0 3 313.445 2.179 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccncc2Cl)[C@@H]1C ZINC000993853805 647756117 /nfs/dbraw/zinc/75/61/17/647756117.db2.gz APUFXCPVFHRRLI-SWLSCSKDSA-N 0 3 305.809 2.341 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)[C@H]1C ZINC000993916437 647766150 /nfs/dbraw/zinc/76/61/50/647766150.db2.gz LJIYDLLOGSMLQT-ZBFHGGJFSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2scnc2COC)[C@@H]1C ZINC000993964164 647768836 /nfs/dbraw/zinc/76/88/36/647768836.db2.gz NUPRLMJLXHQHJK-QWHCGFSZSA-N 0 3 323.462 2.448 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H]1C ZINC000993992074 647774030 /nfs/dbraw/zinc/77/40/30/647774030.db2.gz VJYYZLCUWUMGFI-GXTWGEPZSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H]1C ZINC000994166549 647798096 /nfs/dbraw/zinc/79/80/96/647798096.db2.gz KZBOWEONNUWSHQ-HOCLYGCPSA-N 0 3 313.445 2.500 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2CC3(C2)CCOCC3)[C@@H]1C ZINC000994207903 647806283 /nfs/dbraw/zinc/80/62/83/647806283.db2.gz GXGRZODUWXSFKB-RDJZCZTQSA-N 0 3 318.461 2.186 20 30 DEEDHN C#C[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000820496128 647856719 /nfs/dbraw/zinc/85/67/19/647856719.db2.gz TZGHSHWDNBTPSQ-IAGOWNOFSA-N 0 3 315.392 2.378 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nn(C)c3ccccc32)[C@@H]1C ZINC000994270275 647890349 /nfs/dbraw/zinc/89/03/49/647890349.db2.gz FNWHVMJTHOYUSK-HOCLYGCPSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2OC)[C@@H]1C ZINC000994290302 647903390 /nfs/dbraw/zinc/90/33/90/647903390.db2.gz UTINQAVVIIXWGL-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn3ccccc3n2)[C@@H]1C ZINC000994340409 647913135 /nfs/dbraw/zinc/91/31/35/647913135.db2.gz UQTHWEMRFWTPEQ-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H]1C ZINC000994385808 647935591 /nfs/dbraw/zinc/93/55/91/647935591.db2.gz IMIUVFZYPRTSRA-XJKSGUPXSA-N 0 3 305.422 2.379 20 30 DEEDHN Cc1ccc(SCC(=O)C(C#N)C(=O)NC2CC2)c(C)c1 ZINC000916926680 647941172 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/nfs/dbraw/zinc/52/74/33/652527433.db2.gz ZKMPDWCMFIMEMF-SNVBAGLBSA-N 0 3 307.195 2.364 20 30 DEEDHN OC1CCN(c2ccc(C=NN[C@H]3CCSC3)cc2)CC1 ZINC000853346101 652540235 /nfs/dbraw/zinc/54/02/35/652540235.db2.gz QONADNQXZXKDIW-AWEZNQCLSA-N 0 3 305.447 2.077 20 30 DEEDHN CC1(C)OCC[C@H]1NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853355946 652541758 /nfs/dbraw/zinc/54/17/58/652541758.db2.gz LXCVTTBGJRMARC-QGZVFWFLSA-N 0 3 317.433 2.139 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(CC)n(C)n1)C1CC1 ZINC001391808275 1156807208 /nfs/dbraw/zinc/80/72/08/1156807208.db2.gz VJHCZGROCLCRAV-INIZCTEOSA-N 0 3 324.856 2.223 20 30 DEEDHN COc1cccc(CNC[C@H](C)N(C)C(=O)[C@H](C)C#N)c1Cl ZINC001374205904 1157724563 /nfs/dbraw/zinc/72/45/63/1157724563.db2.gz KRRGPELCFJBXQI-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C)n[nH]1 ZINC001374399194 1157838834 /nfs/dbraw/zinc/83/88/34/1157838834.db2.gz UGZVJMRLYCANII-IINYFYTJSA-N 0 3 310.829 2.301 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C)[nH]n1 ZINC001374399194 1157838837 /nfs/dbraw/zinc/83/88/37/1157838837.db2.gz UGZVJMRLYCANII-IINYFYTJSA-N 0 3 310.829 2.301 20 30 DEEDHN C=CCCC(=O)N(CCC)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001356690370 1152112029 /nfs/dbraw/zinc/11/20/29/1152112029.db2.gz PHPXNRZBRIGEOA-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)CN(C)C2CCC2)[C@@H]1C ZINC001394694728 1158686662 /nfs/dbraw/zinc/68/66/62/1158686662.db2.gz OVCAWQIDKAHCAS-ZFWWWQNUSA-N 0 3 313.873 2.192 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1C ZINC000928434574 693778817 /nfs/dbraw/zinc/77/88/17/693778817.db2.gz JDCZKOYRYCOZBU-NHYWBVRUSA-N 0 3 303.381 2.184 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCNc2ccccc2)CC1 ZINC000086394385 684012796 /nfs/dbraw/zinc/01/27/96/684012796.db2.gz MMZUOYNZGICVGQ-UHFFFAOYSA-N 0 3 316.449 2.438 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCC(=O)c1ccc(F)cc1F ZINC000131068276 684196325 /nfs/dbraw/zinc/19/63/25/684196325.db2.gz LCJQNASNCCTJRR-LBPRGKRZSA-N 0 3 322.311 2.161 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000133442609 684219920 /nfs/dbraw/zinc/21/99/20/684219920.db2.gz AACSJDBWQOJAIU-RISCZKNCSA-N 0 3 302.374 2.206 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](OC)C1CCC1)C2 ZINC001054172107 693870360 /nfs/dbraw/zinc/87/03/60/693870360.db2.gz GXVWPFVDOIOOGX-MJGOQNOKSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(c3cccnc3)CC1)C2 ZINC001054182541 693873508 /nfs/dbraw/zinc/87/35/08/693873508.db2.gz MJZRSRVKGHKAIQ-IBGZPJMESA-N 0 3 323.440 2.061 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc3c([nH]1)CCC3)C2 ZINC001054226695 693890484 /nfs/dbraw/zinc/89/04/84/693890484.db2.gz WRJHKWNIGSDDTJ-LJQANCHMSA-N 0 3 311.429 2.065 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054311497 693923657 /nfs/dbraw/zinc/92/36/57/693923657.db2.gz OVYCQOPDTNTLDU-BDJLRTHQSA-N 0 3 301.365 2.044 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)c2ccccc2OCC#N)C1 ZINC000193873946 685051335 /nfs/dbraw/zinc/05/13/35/685051335.db2.gz FDRSLTRTYWDPCO-CQSZACIVSA-N 0 3 301.390 2.051 20 30 DEEDHN C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054325176 693931865 /nfs/dbraw/zinc/93/18/65/693931865.db2.gz XIYDNLYAPRDKEL-SJKOYZFVSA-N 0 3 315.392 2.434 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000246472616 685130487 /nfs/dbraw/zinc/13/04/87/685130487.db2.gz BHHVAGGMCBJVML-UTUOFQBUSA-N 0 3 304.296 2.056 20 30 DEEDHN CCCC(=O)N1C[C@H](C)[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001054326491 693933069 /nfs/dbraw/zinc/93/30/69/693933069.db2.gz OZHPBZGCPHBJGV-XJKSGUPXSA-N 0 3 315.417 2.303 20 30 DEEDHN CS(=O)(=O)CCCN=C(Nc1ccccc1)N1CCCCC1 ZINC000303890963 685237815 /nfs/dbraw/zinc/23/78/15/685237815.db2.gz QJKGRPXWLJRBGX-UHFFFAOYSA-N 0 3 323.462 2.375 20 30 DEEDHN COc1ccc(CCNC(=[NH2+])NCc2ccc([O-])c(F)c2)cc1 ZINC000304352541 685253180 /nfs/dbraw/zinc/25/31/80/685253180.db2.gz ZGQMNYPQPHLERW-UHFFFAOYSA-N 0 3 317.364 2.187 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1ccc(F)c(F)c1 ZINC001054633664 694010039 /nfs/dbraw/zinc/01/00/39/694010039.db2.gz AMLWKJOYPIVAOY-SJCJKPOMSA-N 0 3 318.367 2.315 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](NCc2ccccn2)C1 ZINC001054742156 694036924 /nfs/dbraw/zinc/03/69/24/694036924.db2.gz DHPBSAFGCPBACR-WBVHZDCISA-N 0 3 324.428 2.319 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1C ZINC001054794436 694045721 /nfs/dbraw/zinc/04/57/21/694045721.db2.gz OGXBNEMARXYXLH-SMDDNHRTSA-N 0 3 324.856 2.116 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnc(-n3cccc3)c2)CC1 ZINC000865194416 686964265 /nfs/dbraw/zinc/96/42/65/686964265.db2.gz VZCDZFAEOQBLIG-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001054975578 694086070 /nfs/dbraw/zinc/08/60/70/694086070.db2.gz DONLEOBLDYFDJK-CHWSQXEVSA-N 0 3 319.453 2.077 20 30 DEEDHN Cc1nnc(CCNCc2cc(C#N)ccc2N(C)C)s1 ZINC000865572571 687264169 /nfs/dbraw/zinc/26/41/69/687264169.db2.gz SGXXTMXTFKSPMC-UHFFFAOYSA-N 0 3 301.419 2.117 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001016062009 687514521 /nfs/dbraw/zinc/51/45/21/687514521.db2.gz AQQULAKWJVAZRW-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001016179540 687551088 /nfs/dbraw/zinc/55/10/88/687551088.db2.gz XBQVEFNKHXOCAR-OAHLLOKOSA-N 0 3 307.397 2.371 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(F)c3occc32)C1 ZINC001016295418 687584506 /nfs/dbraw/zinc/58/45/06/687584506.db2.gz SKCVHPZHXXHPLN-GFCCVEGCSA-N 0 3 300.333 2.399 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001016376362 687605665 /nfs/dbraw/zinc/60/56/65/687605665.db2.gz UJYXZTYUKCIQCX-SWLSCSKDSA-N 0 3 302.805 2.194 20 30 DEEDHN CC[C@@H](F)CN1CCC2(C[C@@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016562002 687652739 /nfs/dbraw/zinc/65/27/39/687652739.db2.gz JGDRINHDVANFAT-HIFRSBDPSA-N 0 3 318.396 2.219 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(C)noc2CCC)CC1 ZINC001016618508 687665664 /nfs/dbraw/zinc/66/56/64/687665664.db2.gz WQFUVDIRYLVPMR-OAHLLOKOSA-N 0 3 315.417 2.153 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CC12CCN(CC#CC)CC2 ZINC001016656433 687676733 /nfs/dbraw/zinc/67/67/33/687676733.db2.gz FWGBFFSVHGZBCR-QGZVFWFLSA-N 0 3 311.429 2.282 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ncccc2CC)CC1 ZINC001016702073 687685338 /nfs/dbraw/zinc/68/53/38/687685338.db2.gz JSVXSKUZHMSCMT-INIZCTEOSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(C)oc(C)c2C)CC1 ZINC001016719133 687689562 /nfs/dbraw/zinc/68/95/62/687689562.db2.gz LKVDQKABPCESIU-OAHLLOKOSA-N 0 3 300.402 2.422 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCc3cccnc32)CC1 ZINC001016798001 687705374 /nfs/dbraw/zinc/70/53/74/687705374.db2.gz ISDSWOZWJUOPNY-DLBZAZTESA-N 0 3 323.440 2.105 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001016799011 687705462 /nfs/dbraw/zinc/70/54/62/687705462.db2.gz UIJBBFLXTYSPJV-INIZCTEOSA-N 0 3 311.429 2.500 20 30 DEEDHN C[C@H](NC(=O)[C@]1(C#N)CCCOC1)[C@H](c1ccccc1)N(C)C ZINC000867471007 687708439 /nfs/dbraw/zinc/70/84/39/687708439.db2.gz VWWJAGMLLQVNSB-LESCRADOSA-N 0 3 315.417 2.114 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cccc3c2OCC3)CC1 ZINC001016844785 687716316 /nfs/dbraw/zinc/71/63/16/687716316.db2.gz DUPQZLOBGNJARP-QGZVFWFLSA-N 0 3 324.424 2.229 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(C)ccc2F)CC1 ZINC001016849424 687718095 /nfs/dbraw/zinc/71/80/95/687718095.db2.gz CDBHUNDTRFCCBC-MRXNPFEDSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3cccnc3c2)CC1 ZINC001016886258 687727660 /nfs/dbraw/zinc/72/76/60/687727660.db2.gz CQJHGEIPYLTQGE-SFHVURJKSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC001016918451 687733897 /nfs/dbraw/zinc/73/38/97/687733897.db2.gz HOJGELYSEYUBAR-CQSZACIVSA-N 0 3 314.433 2.059 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)c2cccnc2)CC1 ZINC001016935036 687737417 /nfs/dbraw/zinc/73/74/17/687737417.db2.gz XSBQQZAOSHESOR-RDJZCZTQSA-N 0 3 311.429 2.179 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cn2ccc3ccccc32)CC1 ZINC001016980315 687748903 /nfs/dbraw/zinc/74/89/03/687748903.db2.gz ZWKBVEDJXJQKFN-SFHVURJKSA-N 0 3 321.424 2.245 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(C)cccc2F)CC1 ZINC001016997811 687752750 /nfs/dbraw/zinc/75/27/50/687752750.db2.gz MQQPRXOESBAMAN-HNNXBMFYSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2csc(C3CC3)n2)CC1 ZINC001016996738 687753119 /nfs/dbraw/zinc/75/31/19/687753119.db2.gz GGMPHGRWMLAMLP-AWEZNQCLSA-N 0 3 315.442 2.238 20 30 DEEDHN CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017491480 687901126 /nfs/dbraw/zinc/90/11/26/687901126.db2.gz UJNPGHLKXVVPDR-QDIASNEPSA-N 0 3 312.417 2.221 20 30 DEEDHN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]cnc21 ZINC001018090029 688051613 /nfs/dbraw/zinc/05/16/13/688051613.db2.gz POXWEZDZTYOFLA-OKILXGFUSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001018112096 688056238 /nfs/dbraw/zinc/05/62/38/688056238.db2.gz MYXGWWYSVBGHLM-LUKYLMHMSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001018309155 688106392 /nfs/dbraw/zinc/10/63/92/688106392.db2.gz VFAWYVDAODCUMS-CALCHBBNSA-N 0 3 313.445 2.223 20 30 DEEDHN CC(C)(F)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018403425 688125717 /nfs/dbraw/zinc/12/57/17/688125717.db2.gz PGGWJOBBVQDBEK-ZDUSSCGKSA-N 0 3 307.344 2.136 20 30 DEEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C[C@H](O)CC#N ZINC000930482206 694172132 /nfs/dbraw/zinc/17/21/32/694172132.db2.gz LMYYJAIJTGZLAL-ZIAGYGMSSA-N 0 3 311.426 2.030 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)c3ccc[nH]3)C2)ccc1F ZINC001018490129 688157406 /nfs/dbraw/zinc/15/74/06/688157406.db2.gz NQHSRWCKZXUUOF-AWEZNQCLSA-N 0 3 312.348 2.030 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001019157868 688292086 /nfs/dbraw/zinc/29/20/86/688292086.db2.gz RFCKVKCGLBAUJP-JTQLQIEISA-N 0 3 300.280 2.044 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001019242662 688306388 /nfs/dbraw/zinc/30/63/88/688306388.db2.gz LUPICDGCKQFIDH-BYCMXARLSA-N 0 3 301.365 2.044 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)s1 ZINC001019495311 688367687 /nfs/dbraw/zinc/36/76/87/688367687.db2.gz VYGQTJKHHMICCY-VBNZEHGJSA-N 0 3 315.442 2.356 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC001019591482 688378322 /nfs/dbraw/zinc/37/83/22/688378322.db2.gz JXHQPFPCRRRLRF-LBPRGKRZSA-N 0 3 300.383 2.445 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)CCCCC1 ZINC000869778133 688399792 /nfs/dbraw/zinc/39/97/92/688399792.db2.gz YCFKCVVKERDFSO-HNNXBMFYSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001019797699 688412244 /nfs/dbraw/zinc/41/22/44/688412244.db2.gz AAUDKDPPTBUHAY-HOCLYGCPSA-N 0 3 300.402 2.013 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H](NCc2ccns2)C1 ZINC001020241416 688490150 /nfs/dbraw/zinc/49/01/50/688490150.db2.gz JYWSDCHPXPIEDO-JOCQHMNTSA-N 0 3 316.430 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001020360336 688508563 /nfs/dbraw/zinc/50/85/63/688508563.db2.gz TYENLUVDTWJAPH-XYPYZODXSA-N 0 3 312.772 2.437 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001028812509 688544438 /nfs/dbraw/zinc/54/44/38/688544438.db2.gz DXJXTHWKROVKBK-BMFZPTHFSA-N 0 3 320.458 2.277 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001029012278 688548923 /nfs/dbraw/zinc/54/89/23/688548923.db2.gz KLKSZUXWZIZRRW-IUODEOHRSA-N 0 3 302.805 2.051 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001029001342 688549058 /nfs/dbraw/zinc/54/90/58/688549058.db2.gz VJXTYKYFRCDIMV-GFCCVEGCSA-N 0 3 306.793 2.034 20 30 DEEDHN COCCN(C)C[C@H](O)COc1c(C#N)ccc2ccccc21 ZINC000871994751 688910259 /nfs/dbraw/zinc/91/02/59/688910259.db2.gz WXLBFIUPWRBIJX-INIZCTEOSA-N 0 3 314.385 2.029 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@H]2CCCS2)cc1 ZINC000872223145 688957243 /nfs/dbraw/zinc/95/72/43/688957243.db2.gz CPQGTYNHQUTNJN-CQSZACIVSA-N 0 3 324.471 2.207 20 30 DEEDHN CC(C)(C)OC(=O)C1(CCN2CC[C@](O)(CC#N)C2)CCC1 ZINC000930817915 694248835 /nfs/dbraw/zinc/24/88/35/694248835.db2.gz AVHJQQJZVCVIAB-QGZVFWFLSA-N 0 3 308.422 2.239 20 30 DEEDHN Cc1nn(C)c2nc(Cl)cc(N=NC3CN4C[C@@H]3CCC4)c12 ZINC000872422567 688997569 /nfs/dbraw/zinc/99/75/69/688997569.db2.gz PZYMVOJIKUUKSB-JTQLQIEISA-N 0 3 318.812 2.424 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CN(Cc3ccccc3C)C2)cn1 ZINC001032136537 689069254 /nfs/dbraw/zinc/06/92/54/689069254.db2.gz BSWOXBUFNOAZMH-UHFFFAOYSA-N 0 3 319.408 2.233 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCCO2)cc1 ZINC001032554867 689184562 /nfs/dbraw/zinc/18/45/62/689184562.db2.gz QETCVQCCRUFFIE-FHWLQOOXSA-N 0 3 324.424 2.136 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCO2 ZINC001032643918 689209992 /nfs/dbraw/zinc/20/99/92/689209992.db2.gz POHAYFBWDMTSOG-IRXDYDNUSA-N 0 3 312.413 2.486 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnn21 ZINC001032671011 689219633 /nfs/dbraw/zinc/21/96/33/689219633.db2.gz XSLOABVTALETEM-HOTGVXAUSA-N 0 3 310.401 2.199 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nc[nH]c21 ZINC001032695365 689227699 /nfs/dbraw/zinc/22/76/99/689227699.db2.gz JOLDVDWKPWYVTC-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1OC ZINC001032768794 689254492 /nfs/dbraw/zinc/25/44/92/689254492.db2.gz RLJMSBLBUWRNED-HOTGVXAUSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001033150863 689405916 /nfs/dbraw/zinc/40/59/16/689405916.db2.gz GGTVIHBINDVDLI-SFHVURJKSA-N 0 3 322.412 2.042 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc3cnccc32)C1 ZINC001033194896 689420757 /nfs/dbraw/zinc/42/07/57/689420757.db2.gz MJOUWVVUKLNBLG-QGZVFWFLSA-N 0 3 309.413 2.496 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001033244368 689436412 /nfs/dbraw/zinc/43/64/12/689436412.db2.gz QLGPORDKUXDVHI-HNNXBMFYSA-N 0 3 320.408 2.486 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001033242648 689436430 /nfs/dbraw/zinc/43/64/30/689436430.db2.gz AWJMTECLJHZIDP-AWEZNQCLSA-N 0 3 306.381 2.096 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2OC)C1 ZINC001033245058 689437413 /nfs/dbraw/zinc/43/74/13/689437413.db2.gz VOJLRZLYUNOJQW-HNNXBMFYSA-N 0 3 300.402 2.173 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001033248428 689438281 /nfs/dbraw/zinc/43/82/81/689438281.db2.gz NRAQPBZXTQVABH-NVXWUHKLSA-N 0 3 300.402 2.099 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001033314647 689458451 /nfs/dbraw/zinc/45/84/51/689458451.db2.gz DCZNEGIRQYREOB-AWEZNQCLSA-N 0 3 311.385 2.273 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnc3ccsc3c2)C1 ZINC001033335184 689466913 /nfs/dbraw/zinc/46/69/13/689466913.db2.gz ZRFBVKTZOQBMOT-CQSZACIVSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001033375975 689481424 /nfs/dbraw/zinc/48/14/24/689481424.db2.gz NXGCXHFINFGDIG-AWEZNQCLSA-N 0 3 306.356 2.063 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(CC)cn2)C1 ZINC001033437219 689498976 /nfs/dbraw/zinc/49/89/76/689498976.db2.gz QOPNKPBPALEWCO-QGZVFWFLSA-N 0 3 301.434 2.295 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001033470369 689511986 /nfs/dbraw/zinc/51/19/86/689511986.db2.gz WHSKNMSNZAFDON-KRWDZBQOSA-N 0 3 314.404 2.413 20 30 DEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033487156 689519388 /nfs/dbraw/zinc/51/93/88/689519388.db2.gz RCNDVSYUEGHZJJ-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(c3ccccc3F)CC2)C1 ZINC001033547296 689537655 /nfs/dbraw/zinc/53/76/55/689537655.db2.gz JCAVNXWUVUJFOC-OAHLLOKOSA-N 0 3 314.404 2.413 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001033554753 689540304 /nfs/dbraw/zinc/54/03/04/689540304.db2.gz POKXJICSTMJBBT-KRWDZBQOSA-N 0 3 322.412 2.246 20 30 DEEDHN CCOC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000931005341 694292448 /nfs/dbraw/zinc/29/24/48/694292448.db2.gz AHUCKUWDOWMPIH-OAHLLOKOSA-N 0 3 324.384 2.448 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033675076 689580303 /nfs/dbraw/zinc/58/03/03/689580303.db2.gz LJZNJBFJLUKWDJ-WMLDXEAASA-N 0 3 302.393 2.485 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000875218463 689590866 /nfs/dbraw/zinc/59/08/66/689590866.db2.gz BHQLRVYTAJESRT-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033711851 689591121 /nfs/dbraw/zinc/59/11/21/689591121.db2.gz DOKJMNFVEVHWEB-CQSZACIVSA-N 0 3 313.376 2.477 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c(Cl)cnn2CC)C1 ZINC001033849805 689637612 /nfs/dbraw/zinc/63/76/12/689637612.db2.gz IZQBBFCPDUAAMK-CYBMUJFWSA-N 0 3 322.840 2.116 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)nn2CC)C1 ZINC001033973970 689679562 /nfs/dbraw/zinc/67/95/62/689679562.db2.gz YJEDFQAGDBLZRU-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnnc3ccccc32)C1 ZINC001033975621 689680281 /nfs/dbraw/zinc/68/02/81/689680281.db2.gz OCYLUFQNAZODPT-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1c2c(ccc1OC)CCC2 ZINC000931068183 694309058 /nfs/dbraw/zinc/30/90/58/694309058.db2.gz WQRDNALNDIIOED-UHFFFAOYSA-N 0 3 315.417 2.261 20 30 DEEDHN C#CC[C@H](COC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000875924310 689718286 /nfs/dbraw/zinc/71/82/86/689718286.db2.gz QFBXPONWHKUGOU-QGZVFWFLSA-N 0 3 323.481 2.178 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001034219502 689767388 /nfs/dbraw/zinc/76/73/88/689767388.db2.gz MYAIYCWSYWXZHV-GJZGRUSLSA-N 0 3 304.438 2.070 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001034220287 689768922 /nfs/dbraw/zinc/76/89/22/689768922.db2.gz XDUWBCPJESYGMX-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001034232302 689773807 /nfs/dbraw/zinc/77/38/07/689773807.db2.gz VIVNQKYZOHPJMA-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001034279793 689792010 /nfs/dbraw/zinc/79/20/10/689792010.db2.gz XFAMJFBOBCDFLJ-MRXNPFEDSA-N 0 3 324.428 2.181 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001034298358 689800879 /nfs/dbraw/zinc/80/08/79/689800879.db2.gz LVMYYGOAQQIKOP-CQSZACIVSA-N 0 3 307.825 2.286 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001034302635 689801850 /nfs/dbraw/zinc/80/18/50/689801850.db2.gz UVKBJBHWPMTROQ-MRXNPFEDSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001034307047 689803647 /nfs/dbraw/zinc/80/36/47/689803647.db2.gz QVQYWRNVFXWCGW-YESZJQIVSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001034309084 689804413 /nfs/dbraw/zinc/80/44/13/689804413.db2.gz HJJHRXIIXSIXIJ-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001034312675 689806606 /nfs/dbraw/zinc/80/66/06/689806606.db2.gz RJQNFWDOCLOLOC-HNNXBMFYSA-N 0 3 303.406 2.120 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001034327335 689810296 /nfs/dbraw/zinc/81/02/96/689810296.db2.gz HWPXDBMQZFHMGO-AWEZNQCLSA-N 0 3 303.406 2.406 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001034363478 689822814 /nfs/dbraw/zinc/82/28/14/689822814.db2.gz BGALITVXSHKOTQ-OAHLLOKOSA-N 0 3 305.422 2.112 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001034411217 689839084 /nfs/dbraw/zinc/83/90/84/689839084.db2.gz OLIYQSHOVJXRKE-ZDUSSCGKSA-N 0 3 305.809 2.343 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001034412855 689839632 /nfs/dbraw/zinc/83/96/32/689839632.db2.gz FCXWHSCIONCPSR-AWEZNQCLSA-N 0 3 310.401 2.400 20 30 DEEDHN Cc1ccc(CN2CCN(c3cc(C#N)ccn3)CC2)c(O)c1 ZINC000876561111 689856744 /nfs/dbraw/zinc/85/67/44/689856744.db2.gz LMPZBGTVERNBDH-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000876583157 689865579 /nfs/dbraw/zinc/86/55/79/689865579.db2.gz GAWJYOGJSSNRKZ-CYBMUJFWSA-N 0 3 321.808 2.296 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000876620603 689878582 /nfs/dbraw/zinc/87/85/82/689878582.db2.gz QNVRMSRNQATXCM-AEGPPILISA-N 0 3 308.809 2.445 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001034521195 689883523 /nfs/dbraw/zinc/88/35/23/689883523.db2.gz CQUXFHFUXBWLST-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000876673071 689897004 /nfs/dbraw/zinc/89/70/04/689897004.db2.gz JLJQLKWDZGBZNS-FRRDWIJNSA-N 0 3 302.846 2.414 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001034553349 689897673 /nfs/dbraw/zinc/89/76/73/689897673.db2.gz LHYAVDVMQFDMFT-ZBFHGGJFSA-N 0 3 304.438 2.070 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000876682849 689900973 /nfs/dbraw/zinc/90/09/73/689900973.db2.gz PBAQFDCRYFTVBQ-KOLCDFICSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000876696368 689906501 /nfs/dbraw/zinc/90/65/01/689906501.db2.gz SOANDQHDKKXOOP-MNOVXSKESA-N 0 3 301.173 2.360 20 30 DEEDHN C#CC1(O)CCN(CCOc2ccc(OCCC)cc2)CC1 ZINC000931142309 694326220 /nfs/dbraw/zinc/32/62/20/694326220.db2.gz APLZZKQCBJFZNU-UHFFFAOYSA-N 0 3 303.402 2.314 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCNc1ccc2ccccc2n1 ZINC000876734860 689920817 /nfs/dbraw/zinc/92/08/17/689920817.db2.gz ASPBDYQWDRGKNO-CYBMUJFWSA-N 0 3 318.808 2.233 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1nc2ccccc2n1CC ZINC000876742340 689923662 /nfs/dbraw/zinc/92/36/62/689923662.db2.gz SPRNSDPOMUYZKB-GFCCVEGCSA-N 0 3 320.824 2.185 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2ccc(CC)cc2)CC1 ZINC000876773160 689932449 /nfs/dbraw/zinc/93/24/49/689932449.db2.gz MNZUNSUZIGXGBB-MRXNPFEDSA-N 0 3 321.852 2.368 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC000876935136 689976866 /nfs/dbraw/zinc/97/68/66/689976866.db2.gz QLTHVIVIZDRRON-MNOVXSKESA-N 0 3 312.822 2.126 20 30 DEEDHN CNC(=O)C1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000876974681 689987269 /nfs/dbraw/zinc/98/72/69/689987269.db2.gz PDXIDZREBBPZGD-UHFFFAOYSA-N 0 3 306.797 2.001 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)OC)sc1C ZINC000876985315 689990476 /nfs/dbraw/zinc/99/04/76/689990476.db2.gz YGAREDOVNAEWEZ-QMMMGPOBSA-N 0 3 302.783 2.252 20 30 DEEDHN N#CCOc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC000877024260 690000330 /nfs/dbraw/zinc/00/03/30/690000330.db2.gz XGTFOYRJZIIUQO-UHFFFAOYSA-N 0 3 319.311 2.436 20 30 DEEDHN CCOC(=O)c1ccc(CNCc2ccc(OCC#N)cc2)[nH]1 ZINC000877025039 690000681 /nfs/dbraw/zinc/00/06/81/690000681.db2.gz ABFDOINXAAAGCF-UHFFFAOYSA-N 0 3 313.357 2.384 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001035035969 690016747 /nfs/dbraw/zinc/01/67/47/690016747.db2.gz SPOLMAZZUDSIIS-PBHICJAKSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCCCCCC[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F ZINC000877148547 690030578 /nfs/dbraw/zinc/03/05/78/690030578.db2.gz NMWVKPPQYIWDJW-CQSZACIVSA-N 0 3 317.355 2.343 20 30 DEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000877224017 690050189 /nfs/dbraw/zinc/05/01/89/690050189.db2.gz SECCPYATBFPKGJ-SFHVURJKSA-N 0 3 307.397 2.129 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(F)CCOCC1)CC2 ZINC001035718873 690160425 /nfs/dbraw/zinc/16/04/25/690160425.db2.gz QJGKRXAALJEOSP-UHFFFAOYSA-N 0 3 310.413 2.006 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1c[nH]nc1C(C)C)CC2 ZINC001035740008 690164907 /nfs/dbraw/zinc/16/49/07/690164907.db2.gz RIGGALCPQVOLIC-UHFFFAOYSA-N 0 3 314.433 2.094 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ncc3ccccn31)CC2 ZINC001035749256 690167799 /nfs/dbraw/zinc/16/77/99/690167799.db2.gz QWAVDQPTUXPINA-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1nccc3occc31)CC2 ZINC001035756473 690169090 /nfs/dbraw/zinc/16/90/90/690169090.db2.gz YYQMPTDWNUVDNA-UHFFFAOYSA-N 0 3 323.396 2.389 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cn(C(C)C)cn1)CC2 ZINC001035757390 690169451 /nfs/dbraw/zinc/16/94/51/690169451.db2.gz JKIKVIRQIIWVNZ-UHFFFAOYSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C(C)(F)F)CC1)CC2 ZINC001035798826 690178663 /nfs/dbraw/zinc/17/86/63/690178663.db2.gz UJHOMEJHNXUMQT-UHFFFAOYSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1Cc3ccccc3C1)CC2 ZINC001035805952 690181145 /nfs/dbraw/zinc/18/11/45/690181145.db2.gz PRADKJZSHJWRGZ-UHFFFAOYSA-N 0 3 322.452 2.349 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccn3ccnc13)CC2 ZINC001035817122 690184663 /nfs/dbraw/zinc/18/46/63/690184663.db2.gz FTSFBYFEFXPWDM-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)CC1(O)CCCCC1 ZINC000877916494 690259677 /nfs/dbraw/zinc/25/96/77/690259677.db2.gz DZKQJNUBFLOYKT-KRWDZBQOSA-N 0 3 302.418 2.436 20 30 DEEDHN C[C@@H](NCc1cscn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001036408546 690343221 /nfs/dbraw/zinc/34/32/21/690343221.db2.gz FKDPJPRUGPGJIT-HIFRSBDPSA-N 0 3 317.458 2.273 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)NCc2ccn(C)n2)C1 ZINC001036438150 690351305 /nfs/dbraw/zinc/35/13/05/690351305.db2.gz GQTQRXZGBWLXJQ-GJZGRUSLSA-N 0 3 318.465 2.349 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001036614758 690402908 /nfs/dbraw/zinc/40/29/08/690402908.db2.gz ZZJGFNBSDKVUPR-ZWKOTPCHSA-N 0 3 309.413 2.391 20 30 DEEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878613406 690455308 /nfs/dbraw/zinc/45/53/08/690455308.db2.gz MVFSULHGPOXFCS-SFHVURJKSA-N 0 3 301.430 2.426 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)nc1 ZINC000878641748 690464118 /nfs/dbraw/zinc/46/41/18/690464118.db2.gz UAEHFMRPKBLKJK-YVSFHVDLSA-N 0 3 313.401 2.364 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(O)CCN(CC2(CC#N)CC2)CC1 ZINC000878718532 690484802 /nfs/dbraw/zinc/48/48/02/690484802.db2.gz ICCZJOXHQXZMBT-UHFFFAOYSA-N 0 3 323.437 2.032 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@H](CO)C[C@H](C)C1)c1ccccc1 ZINC000878721323 690485729 /nfs/dbraw/zinc/48/57/29/690485729.db2.gz VPXTWSVDDDNZCF-KVSKMBFKSA-N 0 3 314.429 2.377 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@H](C)C[C@H](CO)C1)c1ccccc1 ZINC000878721322 690486096 /nfs/dbraw/zinc/48/60/96/690486096.db2.gz VPXTWSVDDDNZCF-HHXXYDBFSA-N 0 3 314.429 2.377 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc3nsnc32)CC1 ZINC000878750580 690491404 /nfs/dbraw/zinc/49/14/04/690491404.db2.gz JVVFKMDIXKIZKV-UHFFFAOYSA-N 0 3 302.403 2.072 20 30 DEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC2(CCC2)CO1 ZINC000878802634 690503242 /nfs/dbraw/zinc/50/32/42/690503242.db2.gz MKYARYXYIWRLIM-IAGOWNOFSA-N 0 3 300.402 2.483 20 30 DEEDHN C[C@@H]1OCC[C@H]1CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591180 690682191 /nfs/dbraw/zinc/68/21/91/690682191.db2.gz QFXUABAWSCQIBB-KBPBESRZSA-N 0 3 303.381 2.244 20 30 DEEDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000879648042 690698655 /nfs/dbraw/zinc/69/86/55/690698655.db2.gz WSTOZUFPCJDIMH-UKRRQHHQSA-N 0 3 312.369 2.354 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038294216 690771199 /nfs/dbraw/zinc/77/11/99/690771199.db2.gz PSFIVBHBLGELAC-GFCCVEGCSA-N 0 3 310.829 2.327 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN1CC[C@H]1CCCO1 ZINC001038343620 690788383 /nfs/dbraw/zinc/78/83/83/690788383.db2.gz BIJQDDJGUQUUQN-HZPDHXFCSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038452459 690825736 /nfs/dbraw/zinc/82/57/36/690825736.db2.gz RESGTGSVHSWCGR-CYBMUJFWSA-N 0 3 302.422 2.059 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)cc(=O)oc1C ZINC001038481734 690836691 /nfs/dbraw/zinc/83/66/91/690836691.db2.gz RHSIULYDYSOSJM-AWEZNQCLSA-N 0 3 304.390 2.027 20 30 DEEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)Cc2c[nH]nc21 ZINC000931458523 694401905 /nfs/dbraw/zinc/40/19/05/694401905.db2.gz SUPIDUZHOLLGCK-GFCCVEGCSA-N 0 3 309.373 2.229 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038526213 690851529 /nfs/dbraw/zinc/85/15/29/690851529.db2.gz HCWFKXCRVRYXSN-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001038546260 690854800 /nfs/dbraw/zinc/85/48/00/690854800.db2.gz MJNJGRFFQPCEOH-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038591383 690869256 /nfs/dbraw/zinc/86/92/56/690869256.db2.gz DJUOATSWGDFBDT-WBVHZDCISA-N 0 3 300.402 2.067 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001038632177 690882022 /nfs/dbraw/zinc/88/20/22/690882022.db2.gz PLOXLUOIAPPGRU-UKRRQHHQSA-N 0 3 318.421 2.032 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001038695225 690900541 /nfs/dbraw/zinc/90/05/41/690900541.db2.gz YUXKHTHDZIFKMP-SFHVURJKSA-N 0 3 311.429 2.443 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001038693622 690900652 /nfs/dbraw/zinc/90/06/52/690900652.db2.gz KETSNMIUECGHPN-HNNXBMFYSA-N 0 3 319.453 2.095 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@@H]2CCN2CCC(C)(C)C)nn1 ZINC001038788718 690926488 /nfs/dbraw/zinc/92/64/88/690926488.db2.gz AVQSWXLDZKWVSY-AWEZNQCLSA-N 0 3 319.453 2.095 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001038815320 690932386 /nfs/dbraw/zinc/93/23/86/690932386.db2.gz LBWFEDPACKNGOJ-GOEBONIOSA-N 0 3 300.402 2.319 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038898516 690960252 /nfs/dbraw/zinc/96/02/52/690960252.db2.gz HTTXERLUQOUFGJ-INIZCTEOSA-N 0 3 302.422 2.063 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000931477878 694408248 /nfs/dbraw/zinc/40/82/48/694408248.db2.gz GAGOHZBWRCEVNW-ZUZCIYMTSA-N 0 3 302.353 2.302 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001038920615 690966683 /nfs/dbraw/zinc/96/66/83/690966683.db2.gz PLCYBASBBIGPTA-YJBOKZPZSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3nccnc32)CC1 ZINC000880781339 690974305 /nfs/dbraw/zinc/97/43/05/690974305.db2.gz RTFGCYSMFMGTIB-UHFFFAOYSA-N 0 3 311.389 2.402 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(OC)cccc1OC ZINC001038954779 690976136 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CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(F)c[nH]2)C1 ZINC001039231411 691062502 /nfs/dbraw/zinc/06/25/02/691062502.db2.gz WCSIRUQUIDQPFG-PBHICJAKSA-N 0 3 317.408 2.494 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC2=CCOCC2)C1 ZINC001039232321 691063211 /nfs/dbraw/zinc/06/32/11/691063211.db2.gz VIPZRUPYAQFDDV-ROUUACIJSA-N 0 3 316.445 2.059 20 30 DEEDHN COC(=O)C1=NO[C@]2(CCN(CCCCC3(C#N)CCC3)C2)C1 ZINC000931532071 694421486 /nfs/dbraw/zinc/42/14/86/694421486.db2.gz MMBHKQPPRRGLGK-QGZVFWFLSA-N 0 3 319.405 2.244 20 30 DEEDHN C#CCC(CC#C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000881414902 691093034 /nfs/dbraw/zinc/09/30/34/691093034.db2.gz QAOJHCDNWAXOIO-LJQANCHMSA-N 0 3 308.425 2.348 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cncnc1 ZINC001039423798 691102928 /nfs/dbraw/zinc/10/29/28/691102928.db2.gz MIJDUPWNHQGOSJ-UAGQMJEPSA-N 0 3 314.433 2.222 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)nc1C ZINC001039453159 691109746 /nfs/dbraw/zinc/10/97/46/691109746.db2.gz 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691214588 /nfs/dbraw/zinc/21/45/88/691214588.db2.gz XWYRYXJMKDVKSO-INIZCTEOSA-N 0 3 310.388 2.370 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cn(C)nc3CC)C2)C1 ZINC001040252312 691221093 /nfs/dbraw/zinc/22/10/93/691221093.db2.gz AFHYZMRBGWGIII-SFHVURJKSA-N 0 3 316.449 2.097 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3cnc4cc[nH]c4c3)C2)C1 ZINC001040258005 691221573 /nfs/dbraw/zinc/22/15/73/691221573.db2.gz LWPPRQRCNMKCEU-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC3(F)F)C2)C1 ZINC001040259843 691222535 /nfs/dbraw/zinc/22/25/35/691222535.db2.gz ZZXRWUUZTGCZQT-GOEBONIOSA-N 0 3 310.388 2.370 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 ZINC001040290558 691226124 /nfs/dbraw/zinc/22/61/24/691226124.db2.gz FIRAMAOLOKOMPF-IBGZPJMESA-N 0 3 324.428 2.448 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ocnc3CC)C2)C1 ZINC001040383138 691239547 /nfs/dbraw/zinc/23/95/47/691239547.db2.gz FZEOLZIZCGHTHM-QGZVFWFLSA-N 0 3 303.406 2.351 20 30 DEEDHN 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COCC(=O)N(C)C1CCC(NCc2ccccc2C#N)CC1 ZINC001381438134 1153060875 /nfs/dbraw/zinc/06/08/75/1153060875.db2.gz HENTXWAPDSECPM-UHFFFAOYSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CC(CNCc2c(F)cccc2F)C1 ZINC001402925201 1162543688 /nfs/dbraw/zinc/54/36/88/1162543688.db2.gz ZCBVNWCCKXNHKT-UNXYVOJBSA-N 0 3 307.344 2.109 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001363840058 1153660591 /nfs/dbraw/zinc/66/05/91/1153660591.db2.gz MMGRQOJKTPXHJM-JKIFEVAISA-N 0 3 323.437 2.104 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccoc1Cl ZINC001569114242 1153712813 /nfs/dbraw/zinc/71/28/13/1153712813.db2.gz FGFZEINLKLSGOO-LLVKDONJSA-N 0 3 300.786 2.186 20 30 DEEDHN Cc1ncccc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001402987636 1162601242 /nfs/dbraw/zinc/60/12/42/1162601242.db2.gz WACKUMCWPKETNZ-NSHDSACASA-N 0 3 314.414 2.231 20 30 DEEDHN CCC(CC)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001569697920 1154082269 /nfs/dbraw/zinc/08/22/69/1154082269.db2.gz VAIWLMBPISYZSY-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001388749902 1155080303 /nfs/dbraw/zinc/08/03/03/1155080303.db2.gz HBZITEPGPICSQS-YUTCNCBUSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1c(C)ncn1C ZINC001403087796 1162698655 /nfs/dbraw/zinc/69/86/55/1162698655.db2.gz UPVZSLOPUFZIHL-UHFFFAOYSA-N 0 3 312.845 2.169 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)[nH]1 ZINC001389842901 1155450877 /nfs/dbraw/zinc/45/08/77/1155450877.db2.gz PVSYIJLSVHJSEH-MGCOHNPYSA-N 0 3 313.188 2.056 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1(c2cccnc2)CC1 ZINC001371820430 1156030800 /nfs/dbraw/zinc/03/08/00/1156030800.db2.gz UKISTVXHLSDAJR-CYBMUJFWSA-N 0 3 307.825 2.350 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001391789336 1156803614 /nfs/dbraw/zinc/80/36/14/1156803614.db2.gz OFKDPXKDUIUSQL-CZUORRHYSA-N 0 3 314.857 2.430 20 30 DEEDHN Cc1cnc([C@@H](C)NC2(CNC(=O)[C@@H](C)C#N)CCCC2)cn1 ZINC001391993827 1156846066 /nfs/dbraw/zinc/84/60/66/1156846066.db2.gz FNDMTJISKMAPLP-GXTWGEPZSA-N 0 3 315.421 2.024 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001392295931 1156997928 /nfs/dbraw/zinc/99/79/28/1156997928.db2.gz YJDUKHMKPNNPHG-NHYWBVRUSA-N 0 3 324.856 2.218 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001392471140 1157063090 /nfs/dbraw/zinc/06/30/90/1157063090.db2.gz JSLDJRSEBPLMOD-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1=COCCC1 ZINC001392653099 1157295272 /nfs/dbraw/zinc/29/52/72/1157295272.db2.gz QMPXVCRBUMHYNQ-CQSZACIVSA-N 0 3 313.401 2.189 20 30 DEEDHN CC[C@H](CNC(=O)c1ccns1)NCc1ccc(C#N)s1 ZINC001373757688 1157343681 /nfs/dbraw/zinc/34/36/81/1157343681.db2.gz CRLVKABYDLFINX-SNVBAGLBSA-N 0 3 320.443 2.374 20 30 DEEDHN COC[C@H](C)CC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001392705828 1157357591 /nfs/dbraw/zinc/35/75/91/1157357591.db2.gz KJNYFWHUGRABRW-CABCVRRESA-N 0 3 317.433 2.167 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)CC2CC2)C2CC2)cc1F ZINC001392755827 1157389677 /nfs/dbraw/zinc/38/96/77/1157389677.db2.gz MOLFOQZFDQHIIT-KRWDZBQOSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@](C)(CNCc1ccncc1Cl)C1CC1 ZINC001373880532 1157429975 /nfs/dbraw/zinc/42/99/75/1157429975.db2.gz YJJNMDYJYZFMQS-MEDUHNTESA-N 0 3 320.824 2.269 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)c1cc[nH]c1 ZINC001374229670 1157749603 /nfs/dbraw/zinc/74/96/03/1157749603.db2.gz ZFEMYEAMTDUJME-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)COc1ccc(F)cc1 ZINC001403483783 1162896884 /nfs/dbraw/zinc/89/68/84/1162896884.db2.gz GYOMOMQSRHMMJQ-GFCCVEGCSA-N 0 3 314.788 2.441 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001393528195 1157851976 /nfs/dbraw/zinc/85/19/76/1157851976.db2.gz RWTVESZCYHXVRP-DOMZBBRYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccnc(N(C)C)c1)C(C)C ZINC001374442055 1157856818 /nfs/dbraw/zinc/85/68/18/1157856818.db2.gz ZDHIVMWKFCCEGX-CQSZACIVSA-N 0 3 324.856 2.244 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001374472723 1157868195 /nfs/dbraw/zinc/86/81/95/1157868195.db2.gz UTVXACZLSSSADM-MLGOLLRUSA-N 0 3 303.381 2.363 20 30 DEEDHN CCC1(NCc2nccs2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001393660594 1157895941 /nfs/dbraw/zinc/89/59/41/1157895941.db2.gz SUGUKMHWXUGWHY-LBPRGKRZSA-N 0 3 306.435 2.164 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C[C@H]1CCCO1 ZINC001375011473 1158200284 /nfs/dbraw/zinc/20/02/84/1158200284.db2.gz UNCVLKDCZYCBBU-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN CC(C)C(=O)NC[C@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001376193481 1159215244 /nfs/dbraw/zinc/21/52/44/1159215244.db2.gz JNAIXFABFFVCOZ-INIZCTEOSA-N 0 3 303.381 2.338 20 30 DEEDHN CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001376286321 1159316297 /nfs/dbraw/zinc/31/62/97/1159316297.db2.gz FRSOZLXUMGBUPE-RBWDJNPFSA-N 0 3 320.824 2.423 20 30 DEEDHN CC(C)SCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001376703279 1159706385 /nfs/dbraw/zinc/70/63/85/1159706385.db2.gz SHJXKJJTQWGBDG-LLVKDONJSA-N 0 3 311.476 2.356 20 30 DEEDHN CCO[C@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001376723031 1159724341 /nfs/dbraw/zinc/72/43/41/1159724341.db2.gz XTLFAWXRLFJWDU-WFASDCNBSA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@@H](CNC(=O)CCn1cccc1)NCc1ccc(C#N)s1 ZINC001376831209 1159816634 /nfs/dbraw/zinc/81/66/34/1159816634.db2.gz GQRAJSKMXACWBP-ZDUSSCGKSA-N 0 3 316.430 2.106 20 30 DEEDHN CCOCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001376974623 1159861373 /nfs/dbraw/zinc/86/13/73/1159861373.db2.gz NYHMJVISGNRNIL-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1cc[nH]c1C ZINC001377006951 1159873623 /nfs/dbraw/zinc/87/36/23/1159873623.db2.gz BENRLGVCEMOMSB-JTQLQIEISA-N 0 3 314.227 2.330 20 30 DEEDHN Cc1cccc(C)c1CN(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001377136410 1159953881 /nfs/dbraw/zinc/95/38/81/1159953881.db2.gz ACGKVERXDMQOIB-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001397127520 1160005761 /nfs/dbraw/zinc/00/57/61/1160005761.db2.gz FBNVBTJPQVRPTA-WHOFXGATSA-N 0 3 324.856 2.151 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001397135398 1160012182 /nfs/dbraw/zinc/01/21/82/1160012182.db2.gz YXALUNSDAATTHY-CTYIDZIISA-N 0 3 319.836 2.350 20 30 DEEDHN CC[C@H](C)CNCc1nc2c(s1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001397810116 1160533569 /nfs/dbraw/zinc/53/35/69/1160533569.db2.gz HQIFAJORFTUWGK-RYUDHWBXSA-N 0 3 320.462 2.323 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1ccc(C#N)cc1 ZINC001378018435 1160925345 /nfs/dbraw/zinc/92/53/45/1160925345.db2.gz AQKNQPAMMXNCSC-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001378102544 1161019050 /nfs/dbraw/zinc/01/90/50/1161019050.db2.gz MBDLJPQUTNJDBL-XJKSGUPXSA-N 0 3 303.381 2.108 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H](C)C1CC1)NCc1ccc(F)c(C#N)c1 ZINC001398900001 1161143269 /nfs/dbraw/zinc/14/32/69/1161143269.db2.gz ZNLPLSOSMQYWRT-RYUDHWBXSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2ncn(C)c21 ZINC001399378544 1161370017 /nfs/dbraw/zinc/37/00/17/1161370017.db2.gz PAZPHWORHPAUKX-LBPRGKRZSA-N 0 3 320.824 2.424 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1noc2c1CCCC2 ZINC001399399890 1161378882 /nfs/dbraw/zinc/37/88/82/1161378882.db2.gz LGFVOYBBRHXJMA-NSHDSACASA-N 0 3 311.813 2.404 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(CCc2ccc(Cl)cc2)C1 ZINC001400603507 1161781186 /nfs/dbraw/zinc/78/11/86/1161781186.db2.gz BFXGUKWUEHIUPP-DOMZBBRYSA-N 0 3 305.809 2.233 20 30 DEEDHN CCC(=O)N[C@@](C)(CNCc1cc(C#N)ccc1F)C1CC1 ZINC001400966996 1161853342 /nfs/dbraw/zinc/85/33/42/1161853342.db2.gz FNTARNONNHFONY-KRWDZBQOSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cnn(CC)c1C)C1CC1 ZINC001401030713 1161862528 /nfs/dbraw/zinc/86/25/28/1161862528.db2.gz WOVPRPPMMJLQOI-MRXNPFEDSA-N 0 3 324.856 2.452 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](C)CNCc1cc(F)ccc1C#N ZINC001401123122 1161877956 /nfs/dbraw/zinc/87/79/56/1161877956.db2.gz JMPRXJXFLXZGIO-XHDPSFHLSA-N 0 3 309.360 2.287 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnc(Cl)n1C)C(C)C ZINC001401340069 1161938360 /nfs/dbraw/zinc/93/83/60/1161938360.db2.gz WAMSGTGOMVIVPN-JTQLQIEISA-N 0 3 319.236 2.170 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C3CCC3)CC2)cc1C#N ZINC001401910055 1162176668 /nfs/dbraw/zinc/17/66/68/1162176668.db2.gz GRDSEXLCPMJAAS-UHFFFAOYSA-N 0 3 313.401 2.105 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3cccnc3)CC2)cc1F ZINC001401914760 1162179300 /nfs/dbraw/zinc/17/93/00/1162179300.db2.gz IJIPUAYRFGICBN-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN N#Cc1cc(C(=O)NCC2(NCc3cccc(F)c3)CC2)c[nH]1 ZINC001401936974 1162189023 /nfs/dbraw/zinc/18/90/23/1162189023.db2.gz MMVVYQLEQUBFII-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN C[C@H](C(=O)NCC1(NCc2cccc(C#N)c2)CC1)n1cccc1 ZINC001401940153 1162190556 /nfs/dbraw/zinc/19/05/56/1162190556.db2.gz XYNRVAIGGWXHDG-OAHLLOKOSA-N 0 3 322.412 2.359 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1c[nH]nc1C ZINC001402042823 1162225879 /nfs/dbraw/zinc/22/58/79/1162225879.db2.gz YCTDZSKKXBGZKE-GXTWGEPZSA-N 0 3 310.829 2.443 20 30 DEEDHN Cc1nsc(C)c1CNCC1(NC(=O)[C@H](C)C#N)CCCC1 ZINC001405355379 1164062269 /nfs/dbraw/zinc/06/22/69/1164062269.db2.gz BTAXXAGDPLPLOW-LLVKDONJSA-N 0 3 320.462 2.438 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H](C)CO2)CCCC1 ZINC001405385803 1164069397 /nfs/dbraw/zinc/06/93/97/1164069397.db2.gz LDESXTDECHGNEO-AAEUAGOBSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ncccc1OC)C(C)C ZINC001406060725 1164416111 /nfs/dbraw/zinc/41/61/11/1164416111.db2.gz FQVMOCMEEWXABW-LBPRGKRZSA-N 0 3 311.813 2.187 20 30 DEEDHN COc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c1C ZINC001406582633 1164691690 /nfs/dbraw/zinc/69/16/90/1164691690.db2.gz DHKBFSLVTIYJIM-QWHCGFSZSA-N 0 3 303.406 2.100 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccsn1 ZINC001406614575 1164729866 /nfs/dbraw/zinc/72/98/66/1164729866.db2.gz GRSNAOFDUYGUHQ-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)c(C(=O)OC)c1 ZINC001574857059 1166669786 /nfs/dbraw/zinc/66/97/86/1166669786.db2.gz KZTXAISJULHOLQ-LLVKDONJSA-N 0 3 300.717 2.021 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001417968487 1167334856 /nfs/dbraw/zinc/33/48/56/1167334856.db2.gz IAURKYLMLDJKJH-BMIGLBTASA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COC2CCCCC2)C1 ZINC001418096651 1167408435 /nfs/dbraw/zinc/40/84/35/1167408435.db2.gz DFHPLVCOIVPWTQ-BETUJISGSA-N 0 3 300.830 2.325 20 30 DEEDHN CCCc1nc(C)c(CN[C@@H](C)CCNC(=O)[C@@H](C)C#N)o1 ZINC001418394682 1167624566 /nfs/dbraw/zinc/62/45/66/1167624566.db2.gz KPUYADXFIDXVHO-RYUDHWBXSA-N 0 3 306.410 2.080 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001418612136 1167843317 /nfs/dbraw/zinc/84/33/17/1167843317.db2.gz HZSYBDHPJAMNEY-SGMGOOAPSA-N 0 3 305.809 2.484 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccnn1C ZINC001419068042 1168174646 /nfs/dbraw/zinc/17/46/46/1168174646.db2.gz KVLHJYAJXCSBCD-STQMWFEESA-N 0 3 310.829 2.145 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C1CCN(CCOc2ccccc2)CC1 ZINC001419074266 1168179766 /nfs/dbraw/zinc/17/97/66/1168179766.db2.gz VBAAAJOJHAPOQH-HNNXBMFYSA-N 0 3 315.417 2.148 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001419599754 1168656005 /nfs/dbraw/zinc/65/60/05/1168656005.db2.gz DHIBQCMJAZXOIH-MGPQQGTHSA-N 0 3 322.840 2.236 20 30 DEEDHN Cc1cccc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)n1 ZINC001419707275 1168812094 /nfs/dbraw/zinc/81/20/94/1168812094.db2.gz MISQAUQWSWPCRF-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@@H](CNC(=O)c1ccco1)NCc1ccc(C#N)c(F)c1 ZINC001419714903 1168816577 /nfs/dbraw/zinc/81/65/77/1168816577.db2.gz VTAGIRULKCGSCM-NSHDSACASA-N 0 3 301.321 2.198 20 30 DEEDHN C[C@H](CNC(=O)C1=CCCC1)NCc1ccc(F)c(C#N)c1 ZINC001419726079 1168822335 /nfs/dbraw/zinc/82/23/35/1168822335.db2.gz WVKCTRLODSNJAR-GFCCVEGCSA-N 0 3 301.365 2.402 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)[C@@H](F)C(C)C ZINC001420331787 1169368517 /nfs/dbraw/zinc/36/85/17/1169368517.db2.gz NFIWHUNMTCHWDW-WBMJQRKESA-N 0 3 321.396 2.155 20 30 DEEDHN CCN(CCNC(=O)c1ccncc1)Cc1cccc(C#N)c1 ZINC001420361483 1169399816 /nfs/dbraw/zinc/39/98/16/1169399816.db2.gz IBYVMKILRYWAQL-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420410339 1169498283 /nfs/dbraw/zinc/49/82/83/1169498283.db2.gz YHJZFEHTVITCKW-RYUDHWBXSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CC12CCC2 ZINC001420484076 1169637333 /nfs/dbraw/zinc/63/73/33/1169637333.db2.gz VHMMMKMVKNIAOQ-SWLSCSKDSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1cnc([C@@H](C)NCC2(NC(=O)[C@@H](C)C#N)CCCC2)cn1 ZINC001421505977 1171826094 /nfs/dbraw/zinc/82/60/94/1171826094.db2.gz KMZLVJCRAANWLO-GXTWGEPZSA-N 0 3 315.421 2.024 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)COc2cccnc2)CCCC1 ZINC001421837758 1172034353 /nfs/dbraw/zinc/03/43/53/1172034353.db2.gz CZAQWUFZKHCGPX-UHFFFAOYSA-N 0 3 323.824 2.232 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](CC(C)C)OC)C1 ZINC001422275183 1172453550 /nfs/dbraw/zinc/45/35/50/1172453550.db2.gz ZATVQEGGBXJMDM-RUXDESIVSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)[C@@H]2CCCO2)C1 ZINC001422910578 1172919828 /nfs/dbraw/zinc/91/98/28/1172919828.db2.gz ZWLNILQJJPDGGX-MXAVVETBSA-N 0 3 314.857 2.429 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)c3ccncc3)CC2)ccc1F ZINC001423163636 1173133663 /nfs/dbraw/zinc/13/36/63/1173133663.db2.gz ULJHTCSBHXMUKX-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001424941561 1174047111 /nfs/dbraw/zinc/04/71/11/1174047111.db2.gz RODNFIGAGDHXGJ-VXGBXAGGSA-N 0 3 310.829 2.019 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001425401051 1174306568 /nfs/dbraw/zinc/30/65/68/1174306568.db2.gz DIDATHWWIODDEH-IJLUTSLNSA-N 0 3 321.234 2.374 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001425414680 1174310658 /nfs/dbraw/zinc/31/06/58/1174310658.db2.gz FDYXDKBUSRHLMZ-YDHLFZDLSA-N 0 3 307.825 2.422 20 30 DEEDHN C[C@@H](CN(C)C(=O)CCCF)NCc1ccc(F)c(C#N)c1 ZINC001425602062 1174394933 /nfs/dbraw/zinc/39/49/33/1174394933.db2.gz NSPNFTWKGJNVOD-LBPRGKRZSA-N 0 3 309.360 2.384 20 30 DEEDHN CN(C)CCN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001433752857 1177975355 /nfs/dbraw/zinc/97/53/55/1177975355.db2.gz RCDYNFZXPWZRSR-UHFFFAOYSA-N 0 3 300.189 2.499 20 30 DEEDHN CCN1C[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001434385502 1178436383 /nfs/dbraw/zinc/43/63/83/1178436383.db2.gz AGXPMAZADIIXEA-IAGOWNOFSA-N 0 3 324.428 2.087 20 30 DEEDHN CN(CCSc1cnc(C#N)c(C#N)n1)Cc1ccccc1 ZINC001434444900 1178564786 /nfs/dbraw/zinc/56/47/86/1178564786.db2.gz QURJZQHHLUBYSZ-UHFFFAOYSA-N 0 3 309.398 2.444 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC([C@H]3CCCO3)CC2)c1 ZINC001434468128 1178615351 /nfs/dbraw/zinc/61/53/51/1178615351.db2.gz YZOJNFGGSYTZBE-ZWKOTPCHSA-N 0 3 300.402 2.483 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(O)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001434475481 1178625463 /nfs/dbraw/zinc/62/54/63/1178625463.db2.gz KWQYXSXYXVILQB-KGLIPLIRSA-N 0 3 323.437 2.030 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001436769768 1179230994 /nfs/dbraw/zinc/23/09/94/1179230994.db2.gz PRWYNEMCZPENDH-HZMBPMFUSA-N 0 3 323.487 2.356 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001436979546 1179327418 /nfs/dbraw/zinc/32/74/18/1179327418.db2.gz NOYSYZABTMCAFO-HZSPNIEDSA-N 0 3 300.830 2.181 20 30 DEEDHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001437162057 1179504881 /nfs/dbraw/zinc/50/48/81/1179504881.db2.gz YMODRWOFFGVHNR-ZOWXZIJZSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1CC1(F)F)NCc1ccc(C#N)s1 ZINC001438305904 1180335510 /nfs/dbraw/zinc/33/55/10/1180335510.db2.gz XQZWTAPBBPJMIK-CABZTGNLSA-N 0 3 313.373 2.259 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccco1 ZINC001438623614 1180686285 /nfs/dbraw/zinc/68/62/85/1180686285.db2.gz QIRBKJMMRWERRX-LLVKDONJSA-N 0 3 303.387 2.463 20 30 DEEDHN CN(CCc1cccs1)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001438871014 1180838281 /nfs/dbraw/zinc/83/82/81/1180838281.db2.gz XDAOLCIDRHVYEX-UHFFFAOYSA-N 0 3 316.430 2.194 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)CC2CC2)C1 ZINC001440264073 1181413127 /nfs/dbraw/zinc/41/31/27/1181413127.db2.gz UORVCLVDEFYMJX-TXEJJXNPSA-N 0 3 301.228 2.180 20 30 DEEDHN CN(CCCN(C)C(=O)C1CC1)Cc1ccc(C#N)c(F)c1 ZINC001440399593 1181483141 /nfs/dbraw/zinc/48/31/41/1181483141.db2.gz QPIUVKWDURZNEX-UHFFFAOYSA-N 0 3 303.381 2.388 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC001440493985 1181559657 /nfs/dbraw/zinc/55/96/57/1181559657.db2.gz PLYZENIRHJVYFQ-IOASZLSFSA-N 0 3 310.401 2.407 20 30 DEEDHN CCOCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440729719 1181660063 /nfs/dbraw/zinc/66/00/63/1181660063.db2.gz OZCGTYQBNUUYBU-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001440799827 1181698502 /nfs/dbraw/zinc/69/85/02/1181698502.db2.gz ZVFKISOQEIYFNZ-CHWSQXEVSA-N 0 3 320.824 2.492 20 30 DEEDHN Cc1nocc1CNCC1(NC(=O)[C@@H](C)C#N)CCCCC1 ZINC001441110450 1181851334 /nfs/dbraw/zinc/85/13/34/1181851334.db2.gz SWCPQRFAOKXDCL-LBPRGKRZSA-N 0 3 304.394 2.051 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001441456491 1182003685 /nfs/dbraw/zinc/00/36/85/1182003685.db2.gz LPNRZNPHBDUNSW-DNIRFERGSA-N 0 3 307.344 2.422 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NCc1ccc(C#N)c(F)c1 ZINC001441589588 1182077818 /nfs/dbraw/zinc/07/78/18/1182077818.db2.gz OHIPPZSKJLZYEU-HUBLWGQQSA-N 0 3 303.381 2.290 20 30 DEEDHN Cc1ncsc1CCN(C)CCN(C(=O)[C@H](C)C#N)C(C)C ZINC001442099143 1182320178 /nfs/dbraw/zinc/32/01/78/1182320178.db2.gz GSTHPXMKBHYEPC-CYBMUJFWSA-N 0 3 322.478 2.323 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(CCOC)CC2)C1 ZINC001442233469 1182381709 /nfs/dbraw/zinc/38/17/09/1182381709.db2.gz UCMWIPRAZRIZAK-UHFFFAOYSA-N 0 3 300.830 2.135 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc(COC)s1 ZINC001442336927 1182425843 /nfs/dbraw/zinc/42/58/43/1182425843.db2.gz IHXYEZVIXDGKAS-SNVBAGLBSA-N 0 3 317.842 2.140 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1cncs1)C1CC1 ZINC001444127032 1183293547 /nfs/dbraw/zinc/29/35/47/1183293547.db2.gz JEHCSBDOVLLDDK-AWEZNQCLSA-N 0 3 313.854 2.313 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)nn2)CCCC1 ZINC001444510815 1183423245 /nfs/dbraw/zinc/42/32/45/1183423245.db2.gz ODIQJISCCHZFQT-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C=C(Cl)CN(C)CCC1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001444826720 1183575456 /nfs/dbraw/zinc/57/54/56/1183575456.db2.gz ZJJPQNMWOWIEJM-UHFFFAOYSA-N 0 3 310.829 2.336 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)C(C)C ZINC001444924629 1183650663 /nfs/dbraw/zinc/65/06/63/1183650663.db2.gz CWLMHRFLQWZJCA-TZMCWYRMSA-N 0 3 312.845 2.007 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001444934574 1183656607 /nfs/dbraw/zinc/65/66/07/1183656607.db2.gz XBQJWYROJXVQKA-LJQANCHMSA-N 0 3 316.445 2.437 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccoc1 ZINC001445348116 1183841239 /nfs/dbraw/zinc/84/12/39/1183841239.db2.gz JNXVEPGZJPVJMU-LLVKDONJSA-N 0 3 301.321 2.198 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001445353257 1183844015 /nfs/dbraw/zinc/84/40/15/1183844015.db2.gz QUZNGPQHUMTYGJ-SNVBAGLBSA-N 0 3 302.403 2.164 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cscn1 ZINC001445710970 1184005236 /nfs/dbraw/zinc/00/52/36/1184005236.db2.gz WHOHBNCARSIXPV-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001448525084 1185274384 /nfs/dbraw/zinc/27/43/84/1185274384.db2.gz JMTCQGOOUQCLDD-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1[nH]ncc1C(F)(F)F ZINC001448868772 1185443816 /nfs/dbraw/zinc/44/38/16/1185443816.db2.gz BBXCAODTXPTAJP-UHFFFAOYSA-N 0 3 304.316 2.008 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001448872762 1185444595 /nfs/dbraw/zinc/44/45/95/1185444595.db2.gz LYTXMHCZSYQQDA-DLBZAZTESA-N 0 3 302.418 2.462 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@](C)(O)c1ccccc1 ZINC001448881974 1185445678 /nfs/dbraw/zinc/44/56/78/1185445678.db2.gz HZIDPBWICIJFBT-GOSISDBHSA-N 0 3 304.434 2.251 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001449391732 1185694521 /nfs/dbraw/zinc/69/45/21/1185694521.db2.gz CBNVPOIDFZMCKW-IYXRBSQSSA-N 0 3 323.824 2.180 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(F)c(C)cc2F)C1 ZINC001331996132 1149805306 /nfs/dbraw/zinc/80/53/06/1149805306.db2.gz MBBMEXNOFKERRU-STQMWFEESA-N 0 3 306.356 2.489 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001332033261 1149811040 /nfs/dbraw/zinc/81/10/40/1149811040.db2.gz TXBCMTGPURLTEZ-GOEBONIOSA-N 0 3 316.449 2.358 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCOc3ccccc3)CCC[C@H]12 ZINC001332121271 1149822305 /nfs/dbraw/zinc/82/23/05/1149822305.db2.gz YJFHXPLYQRBNIV-PKOBYXMFSA-N 0 3 312.413 2.202 20 30 DEEDHN C[C@@H](N[C@@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1)c1ccc(F)cc1F ZINC001370625300 1149822876 /nfs/dbraw/zinc/82/28/76/1149822876.db2.gz INDVNFHHPISEPU-JULQROHOSA-N 0 3 307.344 2.422 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)COCc2cc(C)on2)[C@H]1C ZINC001332184068 1149831706 /nfs/dbraw/zinc/83/17/06/1149831706.db2.gz HAVPOLBFWVXWIY-ZBFHGGJFSA-N 0 3 321.421 2.045 20 30 DEEDHN Cc1ncoc1CNC[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C ZINC001106109668 782250178 /nfs/dbraw/zinc/25/01/78/782250178.db2.gz PQFHQSPCKKDHOF-UKRRQHHQSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)c(C)cc2Cl)[C@@H](O)C1 ZINC001083697790 782363544 /nfs/dbraw/zinc/36/35/44/782363544.db2.gz MDXGVJHFJBLVAQ-CVEARBPZSA-N 0 3 322.836 2.308 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC001121954367 782398430 /nfs/dbraw/zinc/39/84/30/782398430.db2.gz ADKCXPAZINOIJF-GJZGRUSLSA-N 0 3 311.470 2.190 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3Cc4ccc(F)cc43)C2)C1 ZINC001072918029 790301307 /nfs/dbraw/zinc/30/13/07/790301307.db2.gz NXVSMLJTDVLOEZ-QGZVFWFLSA-N 0 3 312.388 2.023 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001332676259 1149879378 /nfs/dbraw/zinc/87/93/78/1149879378.db2.gz JEAWXJAKIVCFEV-FUHWJXTLSA-N 0 3 308.466 2.450 20 30 DEEDHN Cn1cc(CNC[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C)cn1 ZINC001332789607 1149892779 /nfs/dbraw/zinc/89/27/79/1149892779.db2.gz LFDZPDREOMDGRQ-OAHLLOKOSA-N 0 3 318.465 2.090 20 30 DEEDHN C/C=C(/C)C(=O)N(C)CCOCCNCC#Cc1ccccc1 ZINC001333201340 1150014546 /nfs/dbraw/zinc/01/45/46/1150014546.db2.gz CJVBSOJMSPYJAO-INGKJJEOSA-N 0 3 314.429 2.069 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2cc(C)co2)CC1 ZINC001333395592 1150045262 /nfs/dbraw/zinc/04/52/62/1150045262.db2.gz UBIUMBVTZAKFKD-UHFFFAOYSA-N 0 3 304.390 2.153 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccncc2C)CC(C)(C)C1 ZINC001089385890 783061963 /nfs/dbraw/zinc/06/19/63/783061963.db2.gz KLVYOIGSBDDAKD-QGZVFWFLSA-N 0 3 313.445 2.173 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1C(F)(F)F ZINC001099319080 783062160 /nfs/dbraw/zinc/06/21/60/783062160.db2.gz OAKHIUOTOVVNFR-UMSGYPCISA-N 0 3 302.340 2.197 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3cccnc3s2)C[C@@H]1C ZINC000947392271 783124310 /nfs/dbraw/zinc/12/43/10/783124310.db2.gz VCJZELOGISSQSS-RYUDHWBXSA-N 0 3 316.430 2.460 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(CC)n2)CC(C)(C)C1 ZINC001089512072 783175252 /nfs/dbraw/zinc/17/52/52/783175252.db2.gz YRRSFZHTYZZNHK-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C[C@@H]1C ZINC000947564754 783176669 /nfs/dbraw/zinc/17/66/69/783176669.db2.gz SJBKUQBPWPXTJC-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)C[C@H]1C ZINC000947596598 783184198 /nfs/dbraw/zinc/18/41/98/783184198.db2.gz CARHCYYLXDHCKT-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c3cccnc32)CC(C)(C)C1 ZINC001089540087 783192177 /nfs/dbraw/zinc/19/21/77/783192177.db2.gz QZKYNNGQCDCLKV-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c(C)noc2C)CC(C)(C)C1 ZINC001089554774 783202615 /nfs/dbraw/zinc/20/26/15/783202615.db2.gz ZOJVTVXXSKNSGE-HNNXBMFYSA-N 0 3 317.433 2.074 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C[C@@H]1C ZINC000947676228 783203628 /nfs/dbraw/zinc/20/36/28/783203628.db2.gz TVOMLYJIYOEBGW-RDJZCZTQSA-N 0 3 323.440 2.323 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2-n2cccn2)C[C@H]1C ZINC000947749076 783222450 /nfs/dbraw/zinc/22/24/50/783222450.db2.gz BRPZPOBYFKMTLG-HZPDHXFCSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2OC)C[C@@H]1C ZINC000947788088 783231801 /nfs/dbraw/zinc/23/18/01/783231801.db2.gz FXSZYSFTELYOJA-KBPBESRZSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001090583280 790368075 /nfs/dbraw/zinc/36/80/75/790368075.db2.gz MXICFLBNWAEUQT-KGLIPLIRSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cn(CC)nc3C(C)C)C2)C1 ZINC001073020170 790393340 /nfs/dbraw/zinc/39/33/40/790393340.db2.gz MVFGXNQPAALYIX-UHFFFAOYSA-N 0 3 316.449 2.360 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CC)OC3CCCC3)C2)C1 ZINC001073026724 790398503 /nfs/dbraw/zinc/39/85/03/790398503.db2.gz NVMFQFOXSLOKON-QGZVFWFLSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CO[C@H]3CCCC[C@H]3C)C2)C1 ZINC001073030245 790403178 /nfs/dbraw/zinc/40/31/78/790403178.db2.gz UXVXXVJCJLNYCT-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCO[C@@H](C(C)C)C3)C2)C1 ZINC001073106354 790458788 /nfs/dbraw/zinc/45/87/88/790458788.db2.gz ZBURZPVXGGOQGK-HZPDHXFCSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCCCC(=O)NC1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001073125406 790472175 /nfs/dbraw/zinc/47/21/75/790472175.db2.gz VPNAUTBDLSRUMI-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN CN1CC[C@H](Nc2cccc([C@@H](C#N)C(=O)OC(C)(C)C)n2)C1 ZINC001167272958 776817241 /nfs/dbraw/zinc/81/72/41/776817241.db2.gz KAFCFMNTFUPDBX-QWHCGFSZSA-N 0 3 316.405 2.146 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)[C@H](C)COC)CC1 ZINC001160314098 790484349 /nfs/dbraw/zinc/48/43/49/790484349.db2.gz GSDFEAYQCKWASE-HZPDHXFCSA-N 0 3 306.450 2.067 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001090751569 790487995 /nfs/dbraw/zinc/48/79/95/790487995.db2.gz GFOFBTZHONSITJ-CABCVRRESA-N 0 3 308.809 2.081 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001090751570 790488328 /nfs/dbraw/zinc/48/83/28/790488328.db2.gz GFOFBTZHONSITJ-GJZGRUSLSA-N 0 3 308.809 2.081 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1c1ccccc1 ZINC001211532582 777252594 /nfs/dbraw/zinc/25/25/94/777252594.db2.gz XZNKMGCDLWVTET-ZWKOTPCHSA-N 0 3 321.424 2.246 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC001167508727 777276911 /nfs/dbraw/zinc/27/69/11/777276911.db2.gz KCIBZARFLOFBRG-OCCSQVGLSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3ccccc32)[C@@H](O)C1 ZINC001090779391 790526437 /nfs/dbraw/zinc/52/64/37/790526437.db2.gz DOFOJOHKGMBEFL-OALUTQOASA-N 0 3 322.408 2.028 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@H](O)C1 ZINC001090783207 790527538 /nfs/dbraw/zinc/52/75/38/790527538.db2.gz KJFBYOQCWHBIMC-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1c1ccccc1 ZINC001211548491 777354360 /nfs/dbraw/zinc/35/43/60/777354360.db2.gz WQQHZIRTBVVCHH-RCCFBDPRSA-N 0 3 314.429 2.019 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CO[C@@H](C)CC)C[C@H]1c1ccccc1 ZINC001211574863 777471124 /nfs/dbraw/zinc/47/11/24/777471124.db2.gz OQHMCWXSVMEXCM-RYQLBKOJSA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)/C=C\C1CC1)C[C@@H](C)O2 ZINC001098577158 777535086 /nfs/dbraw/zinc/53/50/86/777535086.db2.gz BIHHSYNVLUEGIN-IDTUSYRASA-N 0 3 304.434 2.221 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3snnc3C)C(C)(C)[C@H]21 ZINC001087272243 777681888 /nfs/dbraw/zinc/68/18/88/777681888.db2.gz DQSVXXLCEFKJGE-BNOWGMLFSA-N 0 3 320.462 2.251 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ocnc1C ZINC001087280901 777708891 /nfs/dbraw/zinc/70/88/91/777708891.db2.gz WZRZSGJGOHEDEM-VNQPRFMTSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(F)c[nH]3)C(C)(C)[C@@H]21 ZINC001087297700 777745117 /nfs/dbraw/zinc/74/51/17/777745117.db2.gz SCHOJPVGPBGKKO-BPLDGKMQSA-N 0 3 303.381 2.006 20 30 DEEDHN C=CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1coc(OC)n1 ZINC001087299625 777747463 /nfs/dbraw/zinc/74/74/63/777747463.db2.gz ZOITZTLGHWAKHL-KWCYVHTRSA-N 0 3 319.405 2.088 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001087300746 777748841 /nfs/dbraw/zinc/74/88/41/777748841.db2.gz QEJCLIKLYCBONF-DYSFYUKASA-N 0 3 300.446 2.271 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3conc3CC)C(C)(C)[C@H]21 ZINC001087302145 777752266 /nfs/dbraw/zinc/75/22/66/777752266.db2.gz OCHCAPSTUWICPV-WQVCFCJDSA-N 0 3 315.417 2.089 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3oncc3C)C(C)(C)[C@@H]21 ZINC001087311409 777772455 /nfs/dbraw/zinc/77/24/55/777772455.db2.gz NZRDHMVNWNPQPV-BPLDGKMQSA-N 0 3 303.406 2.388 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3nocc3C)C(C)(C)[C@H]21 ZINC001087313188 777774254 /nfs/dbraw/zinc/77/42/54/777774254.db2.gz QFESTELMFIVPNA-KBMXLJTQSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccn3CC)C(C)(C)[C@@H]21 ZINC001087319666 777783929 /nfs/dbraw/zinc/78/39/29/777783929.db2.gz RSGXOWORBMQGRX-DJIMGWMZSA-N 0 3 313.445 2.360 20 30 DEEDHN CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(Cc2ccc(C#N)s2)C1 ZINC001087322499 777789417 /nfs/dbraw/zinc/78/94/17/777789417.db2.gz JPKJPJOZKBCRTA-STECZYCISA-N 0 3 315.442 2.308 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001104606990 777963126 /nfs/dbraw/zinc/96/31/26/777963126.db2.gz JUAPXGWADBQJQF-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)C=C(C)C)C2)nn1 ZINC001098608139 778193676 /nfs/dbraw/zinc/19/36/76/778193676.db2.gz NYSOBVUSCYKKSD-MRXNPFEDSA-N 0 3 317.437 2.074 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001090856085 790604681 /nfs/dbraw/zinc/60/46/81/790604681.db2.gz WEJGMEOIRUKJHE-SJORKVTESA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)C[C@@H](C)CC)C2)nn1 ZINC001105227597 778391743 /nfs/dbraw/zinc/39/17/43/778391743.db2.gz QIISPBOGHQRWCV-AWEZNQCLSA-N 0 3 319.453 2.153 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001125938672 778430197 /nfs/dbraw/zinc/43/01/97/778430197.db2.gz GPUXZRJTBVGLPB-UHFFFAOYSA-N 0 3 304.438 2.038 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105310099 778438464 /nfs/dbraw/zinc/43/84/64/778438464.db2.gz ORUWIYJBNBZATR-AWEZNQCLSA-N 0 3 319.453 2.009 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090866561 790626873 /nfs/dbraw/zinc/62/68/73/790626873.db2.gz IVGQLSZBPCVCAE-CIRUDOSSSA-N 0 3 324.424 2.179 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](n2cc(CNC[C@@H](C)CC)nn2)C1 ZINC001098632226 778639486 /nfs/dbraw/zinc/63/94/86/778639486.db2.gz AIJKCVTYBQBFMH-HOCLYGCPSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)Oc3ccc(C)cc3)C2)C1 ZINC001073409175 790641341 /nfs/dbraw/zinc/64/13/41/790641341.db2.gz XJWUVGCVAWFJCS-MRXNPFEDSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCC[C@@H](C)NCc1cn(C2CN(C(=O)C(C)(C)C)C2)nn1 ZINC001105364922 778827728 /nfs/dbraw/zinc/82/77/28/778827728.db2.gz FACSEQRCJYLRNG-CYBMUJFWSA-N 0 3 319.453 2.152 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cn3ccc4ccccc43)C2)C1 ZINC001073439282 790656445 /nfs/dbraw/zinc/65/64/45/790656445.db2.gz SPJNGFPXMYZGFR-UHFFFAOYSA-N 0 3 321.424 2.199 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001211764432 778846769 /nfs/dbraw/zinc/84/67/69/778846769.db2.gz HVHWHHGLKLRVTJ-IAGOWNOFSA-N 0 3 319.449 2.481 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)Cc3ccccc3)C2)C1 ZINC001073448884 790662167 /nfs/dbraw/zinc/66/21/67/790662167.db2.gz GCMJIAULPONCHG-KRWDZBQOSA-N 0 3 310.441 2.423 20 30 DEEDHN CN(C)CCN(CCc1ccccc1)C(=O)NCCCCC#N ZINC000729057621 778925348 /nfs/dbraw/zinc/92/53/48/778925348.db2.gz XEOHNZHAWYJOOY-UHFFFAOYSA-N 0 3 316.449 2.496 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCc3ccc(C)o3)C2)C1 ZINC001073455365 790665510 /nfs/dbraw/zinc/66/55/10/790665510.db2.gz FQJCJPMFEOSFAZ-UHFFFAOYSA-N 0 3 300.402 2.078 20 30 DEEDHN C=CCCC(=O)N1CCC(CNCc2nccn2CC)CC1 ZINC001204747785 779158417 /nfs/dbraw/zinc/15/84/17/779158417.db2.gz ALZAKFXTGAVRJQ-UHFFFAOYSA-N 0 3 304.438 2.197 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1CC ZINC001087571330 779355815 /nfs/dbraw/zinc/35/58/15/779355815.db2.gz OIXIOHOMEAQVJO-JKSUJKDBSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C3CC3)cnn2C)[C@H]1CC ZINC001087597204 779371423 /nfs/dbraw/zinc/37/14/23/779371423.db2.gz VADUXZXGYYZJQJ-JKSUJKDBSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc(C3CC3)o2)[C@H]1CC ZINC001087606078 779374272 /nfs/dbraw/zinc/37/42/72/779374272.db2.gz CNKJSAGVWRYGMI-UONOGXRCSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)[C@H]1CC ZINC001087623203 779382336 /nfs/dbraw/zinc/38/23/36/779382336.db2.gz UVMRFSPANOCIAX-IJEWVQPXSA-N 0 3 316.449 2.234 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2COc3ccccc3C2)[C@H]1CC ZINC001087649541 779396650 /nfs/dbraw/zinc/39/66/50/779396650.db2.gz RQCJNVAWVDWDTL-YESZJQIVSA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C(C)C)on2)[C@H]1CC ZINC001087674936 779404709 /nfs/dbraw/zinc/40/47/09/779404709.db2.gz LJRXANBGUVJPSN-DZGCQCFKSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnnc3ccccc32)[C@H]1CC ZINC001087740805 779432655 /nfs/dbraw/zinc/43/26/55/779432655.db2.gz YHPQPZFUHAFZEI-DLBZAZTESA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@H]1CC ZINC001087746003 779434820 /nfs/dbraw/zinc/43/48/20/779434820.db2.gz AEAFOLHSPDBPNB-LSDHHAIUSA-N 0 3 304.438 2.162 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@H]1CC ZINC001087789385 779450990 /nfs/dbraw/zinc/45/09/90/779450990.db2.gz NWOZDRSYDKKTFR-LSDHHAIUSA-N 0 3 316.449 2.448 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)nn(C)c2F)[C@H]1CC ZINC001087813666 779461927 /nfs/dbraw/zinc/46/19/27/779461927.db2.gz ZRCDZSSXRHYRRO-QWHCGFSZSA-N 0 3 308.401 2.026 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)[C@H]1CC ZINC001087815263 779463391 /nfs/dbraw/zinc/46/33/91/779463391.db2.gz BYPWWXLVOMSZIG-DLBZAZTESA-N 0 3 313.445 2.448 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3ccccc3n2)[C@H]1CC ZINC001087818842 779466648 /nfs/dbraw/zinc/46/66/48/779466648.db2.gz QNWCSKMVJRIXMX-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3nccnc3c2)[C@H]1CC ZINC001087821817 779468546 /nfs/dbraw/zinc/46/85/46/779468546.db2.gz FYJMVRHLAAVULU-DOTOQJQBSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccccc2C)C1 ZINC001073517675 790708915 /nfs/dbraw/zinc/70/89/15/790708915.db2.gz VYMBJVTUPWTLBH-MRXNPFEDSA-N 0 3 302.418 2.392 20 30 DEEDHN CC[C@H](F)CN1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938900 779560755 /nfs/dbraw/zinc/56/07/55/779560755.db2.gz PIFFEOJZLMGIFK-RDBSUJKOSA-N 0 3 318.396 2.028 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001088051880 779659111 /nfs/dbraw/zinc/65/91/11/779659111.db2.gz QTSSTGLIXGIEOC-QLCXLMDBSA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4ncccc4c3)C[C@@H]2C1 ZINC001088088075 779692886 /nfs/dbraw/zinc/69/28/86/779692886.db2.gz BFYURRYZWSAXKL-MSOLQXFVSA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccnn3[C@@H](C)CC)[C@@H]2C1 ZINC001075844868 779750116 /nfs/dbraw/zinc/75/01/16/779750116.db2.gz GJZQLCWZSYZBET-YQQAZPJKSA-N 0 3 314.433 2.024 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc4c(s3)CCC4)C[C@@H]2C1 ZINC001088191369 779765039 /nfs/dbraw/zinc/76/50/39/779765039.db2.gz WNYBLJXLEYSTCV-CABCVRRESA-N 0 3 314.454 2.264 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC001088236103 779792307 /nfs/dbraw/zinc/79/23/07/779792307.db2.gz LEJWWPJYOJOSCF-XIRDDKMYSA-N 0 3 306.450 2.158 20 30 DEEDHN Cc1noc(C)c1CN(C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985427485 779822573 /nfs/dbraw/zinc/82/25/73/779822573.db2.gz BTLFACZRAYJNTN-UHFFFAOYSA-N 0 3 315.417 2.128 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001088317152 779941946 /nfs/dbraw/zinc/94/19/46/779941946.db2.gz TWEQLJMBKJFVCT-LZWOXQAQSA-N 0 3 312.841 2.136 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001088324812 779953593 /nfs/dbraw/zinc/95/35/93/779953593.db2.gz AGJLXNYFTLFXJD-OAHLLOKOSA-N 0 3 324.856 2.456 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccncn2)C1 ZINC001088399331 780072882 /nfs/dbraw/zinc/07/28/82/780072882.db2.gz IQQUZFJOAFOPIW-CYBMUJFWSA-N 0 3 308.813 2.204 20 30 DEEDHN C[C@H]1C[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 ZINC001168139064 780218841 /nfs/dbraw/zinc/21/88/41/780218841.db2.gz RDNHVPPLEFXIMJ-DZGCQCFKSA-N 0 3 303.381 2.387 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001059790205 780390266 /nfs/dbraw/zinc/39/02/66/780390266.db2.gz MBJAMXHXJYUMFA-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](CC)OC)[C@H](OC)C1 ZINC001212001854 780583960 /nfs/dbraw/zinc/58/39/60/780583960.db2.gz AQZUVVUJSWFAJK-BZUAXINKSA-N 0 3 314.470 2.197 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)nc3sccn32)[C@H]1C ZINC001088662109 780698569 /nfs/dbraw/zinc/69/85/69/780698569.db2.gz NOMSSORARUKNCV-OLZOCXBDSA-N 0 3 318.446 2.473 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)n(CC)c2C)[C@H]1C ZINC001088715597 780901752 /nfs/dbraw/zinc/90/17/52/780901752.db2.gz IZKMCMMIVNHDIX-WBVHZDCISA-N 0 3 301.434 2.341 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@H]1C ZINC001088752075 780938673 /nfs/dbraw/zinc/93/86/73/780938673.db2.gz UCJHNRGILCOAPW-DOMZBBRYSA-N 0 3 303.406 2.118 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)oc3ccccc32)[C@@H](O)C1 ZINC001083486807 780985264 /nfs/dbraw/zinc/98/52/64/780985264.db2.gz RFDZJBCWQRIIAK-CABCVRRESA-N 0 3 314.385 2.092 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3noc4c3CCCC4)[C@@H]2C1 ZINC001076280765 781198755 /nfs/dbraw/zinc/19/87/55/781198755.db2.gz GQZUDLOPILYGRS-DZGCQCFKSA-N 0 3 315.417 2.276 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)COC4)[C@@H]2C1 ZINC001076352355 781227632 /nfs/dbraw/zinc/22/76/32/781227632.db2.gz XBOLOFDLEAKICQ-MAUKXSAKSA-N 0 3 312.413 2.439 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(CC4CC4)c3)[C@@H]2C1 ZINC001076439918 781266691 /nfs/dbraw/zinc/26/66/91/781266691.db2.gz MPODHWVUCFYPTK-DOTOQJQBSA-N 0 3 314.433 2.016 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3ccccc3C)[C@@H]2C1 ZINC001076524706 781296084 /nfs/dbraw/zinc/29/60/84/781296084.db2.gz ARYXPBNBHFHNGR-DLBZAZTESA-N 0 3 314.429 2.483 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3sccc3CC)[C@@H]2C1 ZINC001076602270 781322044 /nfs/dbraw/zinc/32/20/44/781322044.db2.gz ZVIHBKUBWJIFDI-LSDHHAIUSA-N 0 3 302.443 2.480 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCOCC3)[C@@H]2C1 ZINC001076646542 781337233 /nfs/dbraw/zinc/33/72/33/781337233.db2.gz LORIURWOQPVNBG-BHYGNILZSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001076993812 781447229 /nfs/dbraw/zinc/44/72/29/781447229.db2.gz YRZAZSQPUAAXCM-BZUAXINKSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001091084084 790901914 /nfs/dbraw/zinc/90/19/14/790901914.db2.gz ZBPLBUMUWHKCJU-UHFFFAOYSA-N 0 3 318.808 2.365 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 ZINC001212163559 781797168 /nfs/dbraw/zinc/79/71/68/781797168.db2.gz AGNZTBUJUKNXRU-GDBMZVCRSA-N 0 3 323.437 2.382 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001105946682 781885928 /nfs/dbraw/zinc/88/59/28/781885928.db2.gz YPPBYQPJLJSKMG-QSKLQNQUSA-N 0 3 304.221 2.149 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000947809778 783235870 /nfs/dbraw/zinc/23/58/70/783235870.db2.gz FVULKKAXVOWLNB-ZIAGYGMSSA-N 0 3 318.465 2.486 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cn2ncc3ccccc32)C[C@@H]1C ZINC000947820524 783239133 /nfs/dbraw/zinc/23/91/33/783239133.db2.gz MDIHQNWOJCZZJO-DOTOQJQBSA-N 0 3 324.428 2.029 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C[C@H]1C ZINC000947851982 783247897 /nfs/dbraw/zinc/24/78/97/783247897.db2.gz DBGTYLFGRXTXPY-UKRRQHHQSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)C[C@H]1C ZINC000947878735 783253635 /nfs/dbraw/zinc/25/36/35/783253635.db2.gz RJVHIWJJPBZJDT-TZMCWYRMSA-N 0 3 303.406 2.396 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OCC)cc2)C[C@@H]1C ZINC000947986579 783286511 /nfs/dbraw/zinc/28/65/11/783286511.db2.gz YSGYWRPTDUBNDQ-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001089629080 783296679 /nfs/dbraw/zinc/29/66/79/783296679.db2.gz OTKHBEPCVUNNAW-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000948053711 783305505 /nfs/dbraw/zinc/30/55/05/783305505.db2.gz VANZWXGYGYJBTG-FZMZJTMJSA-N 0 3 313.405 2.035 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c[nH]c3ncccc23)C[C@@H]1C ZINC000948078049 783313145 /nfs/dbraw/zinc/31/31/45/783313145.db2.gz HIXIFHCSGQKKDP-HOCLYGCPSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001089693159 783358717 /nfs/dbraw/zinc/35/87/17/783358717.db2.gz HIYKIACMWJQESO-OAGGEKHMSA-N 0 3 306.450 2.370 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001089735137 783399563 /nfs/dbraw/zinc/39/95/63/783399563.db2.gz GEUFYRLRFLFSEU-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001089746037 783408329 /nfs/dbraw/zinc/40/83/29/783408329.db2.gz LPLRFHPOTZPYMO-QCNOEVLYSA-N 0 3 304.768 2.173 20 30 DEEDHN CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089763350 783415921 /nfs/dbraw/zinc/41/59/21/783415921.db2.gz KGJVWHMAIRFTRH-RANZSIQMSA-N 0 3 324.424 2.198 20 30 DEEDHN CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089763350 783415927 /nfs/dbraw/zinc/41/59/27/783415927.db2.gz KGJVWHMAIRFTRH-RANZSIQMSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(OCC)nc2)CC1 ZINC000948425844 783461223 /nfs/dbraw/zinc/46/12/23/783461223.db2.gz SSPSTVVSCFISNY-MRXNPFEDSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc3cnccc3o2)CC1 ZINC000948595435 783517767 /nfs/dbraw/zinc/51/77/67/783517767.db2.gz YEIKWIJJHJFMIJ-OAHLLOKOSA-N 0 3 311.385 2.388 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(OC)nc2)CC1 ZINC000948602852 783522315 /nfs/dbraw/zinc/52/23/15/783522315.db2.gz WBXBFENLAMLNIC-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001073905114 790950810 /nfs/dbraw/zinc/95/08/10/790950810.db2.gz WAKQZTYQTVFUKX-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)CC1 ZINC001066226911 783572788 /nfs/dbraw/zinc/57/27/88/783572788.db2.gz XJNBYVQRYOJMDI-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C#Cc1ccc(CN2CCC(NC(=O)N3CCCC3)CC2)cc1 ZINC001144580422 790955130 /nfs/dbraw/zinc/95/51/30/790955130.db2.gz BGBRUYJPPFPMKU-UHFFFAOYSA-N 0 3 311.429 2.438 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085279728 783617677 /nfs/dbraw/zinc/61/76/77/783617677.db2.gz ZXFNHGBMQVJFCJ-ZAJFYCSQSA-N 0 3 324.852 2.179 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966725184 783742094 /nfs/dbraw/zinc/74/20/94/783742094.db2.gz SJCIRKWUIREXLB-WBMJQRKESA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC000966876083 783789196 /nfs/dbraw/zinc/78/91/96/783789196.db2.gz UXBBZCGYUJCHCA-CJNGLKHVSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC000966904978 783811475 /nfs/dbraw/zinc/81/14/75/783811475.db2.gz WFHGULREPOSQFC-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC001085591499 783857047 /nfs/dbraw/zinc/85/70/47/783857047.db2.gz LLDRCSWPGHMHDJ-CQSZACIVSA-N 0 3 304.438 2.266 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000967272668 783922634 /nfs/dbraw/zinc/92/26/34/783922634.db2.gz RQQSWKFYZMREDT-BXUZGUMPSA-N 0 3 321.421 2.139 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001085671148 783951632 /nfs/dbraw/zinc/95/16/32/783951632.db2.gz PQGFUTONSWLQRE-CABCVRRESA-N 0 3 316.449 2.188 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC000967385571 783974142 /nfs/dbraw/zinc/97/41/42/783974142.db2.gz WEVILJNWJMRVRS-HOCLYGCPSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC000967413719 783989685 /nfs/dbraw/zinc/98/96/85/783989685.db2.gz FDVPRAGMXWINBN-DOMZBBRYSA-N 0 3 319.474 2.152 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712883 783994704 /nfs/dbraw/zinc/99/47/04/783994704.db2.gz WBKVFUCJFRYZMV-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085722069 784004339 /nfs/dbraw/zinc/00/43/39/784004339.db2.gz NRAYQPLTGKTKNZ-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001085850214 784141014 /nfs/dbraw/zinc/14/10/14/784141014.db2.gz QWJAASYKEZUENK-DOTOQJQBSA-N 0 3 318.392 2.238 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1csc2cncn21 ZINC001085850575 784142450 /nfs/dbraw/zinc/14/24/50/784142450.db2.gz ZZORCHCQDROABJ-LBPRGKRZSA-N 0 3 304.419 2.118 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn(CC)c1C ZINC001085890156 784181351 /nfs/dbraw/zinc/18/13/51/784181351.db2.gz QUGWQQIOJZPTIA-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC001085896105 784187952 /nfs/dbraw/zinc/18/79/52/784187952.db2.gz SSXZFMQIBBZXLN-MRXNPFEDSA-N 0 3 304.438 2.262 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918517 784212315 /nfs/dbraw/zinc/21/23/15/784212315.db2.gz FWSUWZWZPONBFJ-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001073998767 791006692 /nfs/dbraw/zinc/00/66/92/791006692.db2.gz DDASPKMGWCEAAB-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085919456 784216641 /nfs/dbraw/zinc/21/66/41/784216641.db2.gz CAXVVUYEIRVDSH-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063774 784217593 /nfs/dbraw/zinc/21/75/93/784217593.db2.gz YVVWZTLJCVEIRC-SWLSCSKDSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1-c1ccco1 ZINC001085981219 784279903 /nfs/dbraw/zinc/27/99/03/784279903.db2.gz HVVRNIGTXKAYNS-CYBMUJFWSA-N 0 3 314.389 2.392 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001066360030 784309650 /nfs/dbraw/zinc/30/96/50/784309650.db2.gz SJAQUBIDKJXGPM-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968378445 784338003 /nfs/dbraw/zinc/33/80/03/784338003.db2.gz PXVDAUNBTCPXBM-CVEARBPZSA-N 0 3 318.465 2.409 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968382724 784345170 /nfs/dbraw/zinc/34/51/70/784345170.db2.gz UAWWTHZYKSPPGR-CRAIPNDOSA-N 0 3 309.413 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001086104522 784411557 /nfs/dbraw/zinc/41/15/57/784411557.db2.gz IYODTOGYUMDBID-BARDWOONSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001086133952 784429205 /nfs/dbraw/zinc/42/92/05/784429205.db2.gz LPONWMIWUOKIRQ-TXEJJXNPSA-N 0 3 310.829 2.213 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC001086159885 784452037 /nfs/dbraw/zinc/45/20/37/784452037.db2.gz OAIHHLFZFIEECY-BJHJDKERSA-N 0 3 324.808 2.203 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC001086176820 784466734 /nfs/dbraw/zinc/46/67/34/784466734.db2.gz REUXBAYYYBKGLA-BETUJISGSA-N 0 3 322.840 2.070 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(OC)c2)C1 ZINC000968582845 784478394 /nfs/dbraw/zinc/47/83/94/784478394.db2.gz FFRZCQCSIZZEGH-YOEHRIQHSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001086209693 784490953 /nfs/dbraw/zinc/49/09/53/784490953.db2.gz LAPWGIZRFSEZFK-TUAOUCFPSA-N 0 3 313.239 2.180 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC000968782273 784588987 /nfs/dbraw/zinc/58/89/87/784588987.db2.gz UWWPWTXDDBKUBB-CQSZACIVSA-N 0 3 305.447 2.449 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC000968887276 784638378 /nfs/dbraw/zinc/63/83/78/784638378.db2.gz ADHWJNFXCKFTIZ-CVEARBPZSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001086384287 784639470 /nfs/dbraw/zinc/63/94/70/784639470.db2.gz NQVNIHYHMJLFPS-ZQDZILKHSA-N 0 3 314.857 2.284 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC000968925952 784653601 /nfs/dbraw/zinc/65/36/01/784653601.db2.gz QLZZGBCXMKAFTN-OAHLLOKOSA-N 0 3 324.428 2.479 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000968957888 784668288 /nfs/dbraw/zinc/66/82/88/784668288.db2.gz VKRGRGOYJYOGQW-VVLHAWIVSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCn1cc(C(=O)NC[C@H]2CCCCCN2CC(=C)C)nn1 ZINC000969061940 784710085 /nfs/dbraw/zinc/71/00/85/784710085.db2.gz HIXIJQYRLRLJBF-OAHLLOKOSA-N 0 3 317.437 2.015 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC000969079646 784715586 /nfs/dbraw/zinc/71/55/86/784715586.db2.gz RZOVFVBTYBSSRW-INIZCTEOSA-N 0 3 324.428 2.332 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC000969093712 784724308 /nfs/dbraw/zinc/72/43/08/784724308.db2.gz WECUZUMTRZGADD-AWEZNQCLSA-N 0 3 305.426 2.019 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000745814463 784758661 /nfs/dbraw/zinc/75/86/61/784758661.db2.gz ZQBOIOLOHQAMQA-KRWDZBQOSA-N 0 3 311.429 2.175 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001086503423 784799183 /nfs/dbraw/zinc/79/91/83/784799183.db2.gz SIXCBMMQITZLKN-AJNGGQMLSA-N 0 3 312.841 2.205 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001091237200 791058031 /nfs/dbraw/zinc/05/80/31/791058031.db2.gz SMQRKGSCZULXOS-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001007350056 784896864 /nfs/dbraw/zinc/89/68/64/784896864.db2.gz DZBJANIGLPPXJI-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001007402915 784911417 /nfs/dbraw/zinc/91/14/17/784911417.db2.gz ZWMYPTIDGGVPQK-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001007436973 784918776 /nfs/dbraw/zinc/91/87/76/784918776.db2.gz KVLOLOUCBMISDF-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C3CC3)no2)C1 ZINC001091260738 791067792 /nfs/dbraw/zinc/06/77/92/791067792.db2.gz IJNRNLBESXFFMP-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cncc(OC)c2C)C1 ZINC001007647896 784968150 /nfs/dbraw/zinc/96/81/50/784968150.db2.gz DIJSPXHMCNMPOI-CQSZACIVSA-N 0 3 303.406 2.169 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2nccs2)c1 ZINC001169041242 785013714 /nfs/dbraw/zinc/01/37/14/785013714.db2.gz FXLBQOGGIWSJLJ-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN N#Cc1ccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169025941 785018829 /nfs/dbraw/zinc/01/88/29/785018829.db2.gz KDSIWWUNCGZCEU-DOTOQJQBSA-N 0 3 314.389 2.126 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001008251970 785150830 /nfs/dbraw/zinc/15/08/30/785150830.db2.gz PAYJOQWURZNZNA-GDBMZVCRSA-N 0 3 312.413 2.400 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001008509482 785226206 /nfs/dbraw/zinc/22/62/06/785226206.db2.gz AVCWXWICKPHLCE-GOSISDBHSA-N 0 3 323.440 2.280 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001008657588 785263531 /nfs/dbraw/zinc/26/35/31/785263531.db2.gz HHVPCRJZJFLVFV-CYBMUJFWSA-N 0 3 324.346 2.250 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ncccc1C ZINC001156348624 785268981 /nfs/dbraw/zinc/26/89/81/785268981.db2.gz CRVDUAFMBBMLFQ-UHFFFAOYSA-N 0 3 312.211 2.008 20 30 DEEDHN COc1cc(C)cc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1O ZINC001333719052 1150083222 /nfs/dbraw/zinc/08/32/22/1150083222.db2.gz LEASUATXGZLNIG-OKILXGFUSA-N 0 3 303.406 2.127 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001009065284 785375567 /nfs/dbraw/zinc/37/55/67/785375567.db2.gz JSLHKJDVLLOWBS-QGZVFWFLSA-N 0 3 322.412 2.294 20 30 DEEDHN Cc1cnc(CNCCCC[C@@H](C)NC(=O)[C@@H](C)C#N)s1 ZINC001169849437 785387473 /nfs/dbraw/zinc/38/74/73/785387473.db2.gz WPVWBTJCGCLNPI-NWDGAFQWSA-N 0 3 308.451 2.376 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCC1)C2 ZINC001109129950 785718231 /nfs/dbraw/zinc/71/82/31/785718231.db2.gz NLNOOAVGOWILMQ-IKGGRYGDSA-N 0 3 306.450 2.491 20 30 DEEDHN Cc1ccc(CCN2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001010457528 785809461 /nfs/dbraw/zinc/80/94/61/785809461.db2.gz MLGLHOUQTTUACV-KRWDZBQOSA-N 0 3 322.412 2.242 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1C)C2 ZINC001110056918 786144952 /nfs/dbraw/zinc/14/49/52/786144952.db2.gz RKJHXTQYYLVATJ-IKGGRYGDSA-N 0 3 312.413 2.119 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001086541439 786170171 /nfs/dbraw/zinc/17/01/71/786170171.db2.gz HLQWOOLRZKIKQG-BPLDGKMQSA-N 0 3 319.836 2.033 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCCc3cn[nH]c32)CC1 ZINC001112855326 786257465 /nfs/dbraw/zinc/25/74/65/786257465.db2.gz RJFMPKNZJMQOIC-ZBFHGGJFSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001112978396 786344801 /nfs/dbraw/zinc/34/48/01/786344801.db2.gz LHTMIIQULVOCPT-AWEZNQCLSA-N 0 3 304.438 2.014 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cnccc2OC)CC1 ZINC001113005314 786362775 /nfs/dbraw/zinc/36/27/75/786362775.db2.gz JAFFAEXVQVYFPA-OAHLLOKOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC001113172708 786430392 /nfs/dbraw/zinc/43/03/92/786430392.db2.gz RHRORQPSDHMYDW-MRXNPFEDSA-N 0 3 318.465 2.389 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001014642130 786673764 /nfs/dbraw/zinc/67/37/64/786673764.db2.gz BTGKTPYUJSWXOL-MRXNPFEDSA-N 0 3 300.377 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001014658398 786687003 /nfs/dbraw/zinc/68/70/03/786687003.db2.gz KWKQFTXBYBZNQZ-MAUKXSAKSA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCC(=O)N(CC)CC)CC1 ZINC001113670091 786751083 /nfs/dbraw/zinc/75/10/83/786751083.db2.gz QYDUYTJTEDEPMM-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCO[C@H](CC)C1 ZINC001170224743 786869460 /nfs/dbraw/zinc/86/94/60/786869460.db2.gz VSTYNXQPYATLTH-ZMSDIMECSA-N 0 3 319.449 2.480 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001015285436 786979358 /nfs/dbraw/zinc/97/93/58/786979358.db2.gz GQFHEQISPWZLIZ-OAHLLOKOSA-N 0 3 311.360 2.201 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC)C[C@H]1c1ccccc1 ZINC001086610694 787015329 /nfs/dbraw/zinc/01/53/29/787015329.db2.gz AOTLRJOHMQCBRG-XDNAFOTISA-N 0 3 314.429 2.182 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001015411976 787037965 /nfs/dbraw/zinc/03/79/65/787037965.db2.gz GBBVGSNRZGUWHU-GFCCVEGCSA-N 0 3 310.829 2.498 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114034974 787062404 /nfs/dbraw/zinc/06/24/04/787062404.db2.gz PIBSPUUTHYMROI-BWUSGFMJSA-N 0 3 318.392 2.136 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001015679915 787182751 /nfs/dbraw/zinc/18/27/51/787182751.db2.gz QCSNNQUKVWWICY-BFHYXJOUSA-N 0 3 318.367 2.282 20 30 DEEDHN C[C@@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114257637 787188553 /nfs/dbraw/zinc/18/85/53/787188553.db2.gz CVMPPWHCUBYGAM-SPVIKVHDSA-N 0 3 312.388 2.347 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCCCNCc1ccn(CC)n1 ZINC001170452667 787222003 /nfs/dbraw/zinc/22/20/03/787222003.db2.gz BFVXOCXRWKYEKN-MRXNPFEDSA-N 0 3 318.465 2.471 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(-n2cccc2)ccn1 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C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001090490067 787455488 /nfs/dbraw/zinc/45/54/88/787455488.db2.gz QRAQYIGGNYFZEZ-KGLIPLIRSA-N 0 3 322.474 2.153 20 30 DEEDHN CCc1cncc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001131368076 787603663 /nfs/dbraw/zinc/60/36/63/787603663.db2.gz HCBCYDNQPVPBJR-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN C[C@H](Nc1cccc(C2(C#N)CCOCC2)c1)[C@H]1CNCCO1 ZINC001170568319 787646676 /nfs/dbraw/zinc/64/66/76/787646676.db2.gz GNPPDUCEBQHIFM-WMLDXEAASA-N 0 3 315.417 2.047 20 30 DEEDHN C[C@@H](Nc1ccc(C#C[Si](C)(C)C)nc1)[C@@H]1CNCCO1 ZINC001170574247 787662538 /nfs/dbraw/zinc/66/25/38/787662538.db2.gz MMTVLPQCPKPHDO-CJNGLKHVSA-N 0 3 303.482 2.099 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C/C(C)(C)C)C[C@@H](C)O2 ZINC001131645714 787670780 /nfs/dbraw/zinc/67/07/80/787670780.db2.gz KFXJZXBQAWBEDN-ZCLAENRFSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C(C)=C/CC)C[C@@H](C)O2 ZINC001131652022 787673952 /nfs/dbraw/zinc/67/39/52/787673952.db2.gz 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DEEDHN C[C@@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)C(F)(F)F ZINC001132475116 788094259 /nfs/dbraw/zinc/09/42/59/788094259.db2.gz SIAFHXUISQLXEE-VIFPVBQESA-N 0 3 317.286 2.102 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCn2cc(C)cn2)CC[C@@H]1C ZINC001132518402 788107133 /nfs/dbraw/zinc/10/71/33/788107133.db2.gz KRCDWSOMMZPKFV-JKSUJKDBSA-N 0 3 304.438 2.127 20 30 DEEDHN C=C/C(C)=C/CC(=O)NCCN[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001132515863 788113196 /nfs/dbraw/zinc/11/31/96/788113196.db2.gz MSKAAHJJFUBTHJ-LRQZKABGSA-N 0 3 321.465 2.028 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]nc(C)c3c1)C2 ZINC001097516358 788124379 /nfs/dbraw/zinc/12/43/79/788124379.db2.gz VCCHDRXDJZXJBJ-OLMNPRSZSA-N 0 3 322.412 2.230 20 30 DEEDHN C#CCN1CC[C@H](CN(Cc2scnc2C)C(=O)CC)C1 ZINC001132559324 788129173 /nfs/dbraw/zinc/12/91/73/788129173.db2.gz WSQJAEVHPPVBAV-AWEZNQCLSA-N 0 3 305.447 2.145 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132569183 788133105 /nfs/dbraw/zinc/13/31/05/788133105.db2.gz 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ZINC001136036253 789604354 /nfs/dbraw/zinc/60/43/54/789604354.db2.gz NYOAMAHHLWIKRP-UHFFFAOYSA-N 0 3 324.384 2.018 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(OCC#N)cc2)C1 ZINC001071282949 789624904 /nfs/dbraw/zinc/62/49/04/789624904.db2.gz QXSULCSHKKFINF-XJKSGUPXSA-N 0 3 301.390 2.078 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nnc2C)CC[C@H]1C ZINC001071532040 789763377 /nfs/dbraw/zinc/76/33/77/789763377.db2.gz VGDDBJIFCMUUON-HIFRSBDPSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn3cc(C)ccc3n2)CC[C@@H]1C ZINC001071602799 789806080 /nfs/dbraw/zinc/80/60/80/789806080.db2.gz LGZIXUKFJBXGOB-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(C)c2CC)CC[C@@H]1C ZINC001071642153 789835397 /nfs/dbraw/zinc/83/53/97/789835397.db2.gz LDRJDOVLCJSSNM-UONOGXRCSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@H]1C ZINC001071666793 789852577 /nfs/dbraw/zinc/85/25/77/789852577.db2.gz RELJXAZMNGQSMH-OCCSQVGLSA-N 0 3 304.390 2.025 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001071776545 789914933 /nfs/dbraw/zinc/91/49/33/789914933.db2.gz VEUKKCVAGAPJJP-UKRRQHHQSA-N 0 3 305.422 2.110 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccn3ccnc23)CC[C@@H]1C ZINC001071882794 789956804 /nfs/dbraw/zinc/95/68/04/789956804.db2.gz AIHIENLMTSYFFK-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2scnc2COC)CC[C@@H]1C ZINC001071883926 789957490 /nfs/dbraw/zinc/95/74/90/789957490.db2.gz UOTLVDMJMGZRNG-STQMWFEESA-N 0 3 323.462 2.448 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C(F)F)c2)CC[C@@H]1C ZINC001071938915 789980161 /nfs/dbraw/zinc/98/01/61/789980161.db2.gz PLUZIYTUWYTJON-AAEUAGOBSA-N 0 3 312.364 2.437 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c3ccccc3nn2C)CC[C@H]1C ZINC001071964468 789991205 /nfs/dbraw/zinc/99/12/05/789991205.db2.gz NJRSHTIQPBUYSQ-HUUCEWRRSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@H]1C ZINC001071982015 789997341 /nfs/dbraw/zinc/99/73/41/789997341.db2.gz LVCPHZJTCHXBCF-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)CC[C@@H]1C ZINC001072095755 790051525 /nfs/dbraw/zinc/05/15/25/790051525.db2.gz NWOHUBSYGGIPFD-KBPBESRZSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCN1CCC[C@@H](N(Cc2ccccn2)C(=O)C2CC2)CC1 ZINC001072130137 790064437 /nfs/dbraw/zinc/06/44/37/790064437.db2.gz SFAKDPUYVWLPAN-GOSISDBHSA-N 0 3 311.429 2.308 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H]3CCC[C@H](OC)C3)C2)C1 ZINC001072805974 790253153 /nfs/dbraw/zinc/25/31/53/790253153.db2.gz WDKVWFOFKRXOMF-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@]2(C)C1 ZINC001091449810 791189236 /nfs/dbraw/zinc/18/92/36/791189236.db2.gz ZLGHKDZBEKHMTC-QAPCUYQASA-N 0 3 300.377 2.243 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)C[C@]2(C)C1 ZINC001091468277 791193704 /nfs/dbraw/zinc/19/37/04/791193704.db2.gz KZHMWQSCYJTRGI-WBMJQRKESA-N 0 3 305.809 2.085 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001091544401 791237152 /nfs/dbraw/zinc/23/71/52/791237152.db2.gz YYQFLTQJXNLQDW-SIIHOXLZSA-N 0 3 315.392 2.266 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC001146683837 791339836 /nfs/dbraw/zinc/33/98/36/791339836.db2.gz VYVNMLHHJNTUGE-OLZOCXBDSA-N 0 3 311.451 2.109 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001075017847 791431933 /nfs/dbraw/zinc/43/19/33/791431933.db2.gz UORGHWRBJWVRLO-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCOCCN1CCC2(CN(C(=O)c3sccc3F)C2)C1 ZINC001147474732 791543696 /nfs/dbraw/zinc/54/36/96/791543696.db2.gz CAJFVBNYLOMBJE-UHFFFAOYSA-N 0 3 324.421 2.238 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3oc(C)nc31)C2 ZINC001098477176 791636502 /nfs/dbraw/zinc/63/65/02/791636502.db2.gz DVAXAVRSZBKHPT-BMFZPTHFSA-N 0 3 323.396 2.495 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCOCC1)C2 ZINC001098513199 791645620 /nfs/dbraw/zinc/64/56/20/791645620.db2.gz QXVHBGSWCDGLNJ-DZUCGIPZSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)C=C)C[C@H](C)O2 ZINC001098619584 791663272 /nfs/dbraw/zinc/66/32/72/791663272.db2.gz HVIHTLWQUTXKKP-HNNXBMFYSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nccn2CC)C1 ZINC001098815204 791714205 /nfs/dbraw/zinc/71/42/05/791714205.db2.gz DVNFMCAVAOVAHD-YOEHRIQHSA-N 0 3 302.422 2.063 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001098828783 791716025 /nfs/dbraw/zinc/71/60/25/791716025.db2.gz IUKIQSXKIBAHMP-KSSFIOAISA-N 0 3 316.449 2.314 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(C)c(F)c2)cn1 ZINC001148389806 791738486 /nfs/dbraw/zinc/73/84/86/791738486.db2.gz VMBJSHHDXUSOBV-UHFFFAOYSA-N 0 3 311.360 2.030 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc(Cl)cn2)c1 ZINC001148518670 791757315 /nfs/dbraw/zinc/75/73/15/791757315.db2.gz BXUWUWIZKQGOKU-UHFFFAOYSA-N 0 3 314.776 2.126 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CCCCCCCC ZINC001148727985 791794014 /nfs/dbraw/zinc/79/40/14/791794014.db2.gz QZSFVFCLHWIJPT-HNNXBMFYSA-N 0 3 311.470 2.134 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CC(F)(F)C(F)(F)F)C2)C1 ZINC001148924687 791821075 /nfs/dbraw/zinc/82/10/75/791821075.db2.gz NUHQEWABMGRQSQ-UHFFFAOYSA-N 0 3 312.282 2.294 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCOC3)C2)CC1 ZINC001086912339 791848590 /nfs/dbraw/zinc/84/85/90/791848590.db2.gz OGWVVOFHVOUNRF-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)Cc3ccoc3)C2)CC1 ZINC001086918538 791851015 /nfs/dbraw/zinc/85/10/15/791851015.db2.gz PSDDXTZKQOYIBL-HNNXBMFYSA-N 0 3 300.402 2.158 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ocnc3CC)C2)CC1 ZINC001086942154 791857051 /nfs/dbraw/zinc/85/70/51/791857051.db2.gz KGOJLPKTSLFFJC-AWEZNQCLSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(C#C)cn3)C2)CC1 ZINC001086953767 791863508 /nfs/dbraw/zinc/86/35/08/791863508.db2.gz RYVXFPHYLYXFJY-MRXNPFEDSA-N 0 3 321.424 2.013 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3coc(C(F)F)c3)C[C@]2(C)C1 ZINC001091957077 791912578 /nfs/dbraw/zinc/91/25/78/791912578.db2.gz DHRLKFNHRVQYJL-WBMJQRKESA-N 0 3 308.328 2.244 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C4CC4)nc3C)C[C@]2(C)C1 ZINC001092026386 791924193 /nfs/dbraw/zinc/92/41/93/791924193.db2.gz QFYHYROIEOXDRB-UZLBHIALSA-N 0 3 323.440 2.295 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@]2(C)C1 ZINC001092251374 791965198 /nfs/dbraw/zinc/96/51/98/791965198.db2.gz FBLDWFBPANGEQH-MJGOQNOKSA-N 0 3 308.425 2.132 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(F)F)nn2C)C1 ZINC001098942843 791992406 /nfs/dbraw/zinc/99/24/06/791992406.db2.gz QNESOXWOGIYNKW-ZBEGNZNMSA-N 0 3 324.375 2.128 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001098952955 791999585 /nfs/dbraw/zinc/99/95/85/791999585.db2.gz NWIRCEVNCTTXTP-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC1CC1 ZINC001098981737 792014095 /nfs/dbraw/zinc/01/40/95/792014095.db2.gz FOUIMYOJPRXLQG-GDBMZVCRSA-N 0 3 321.465 2.179 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001099083066 792082438 /nfs/dbraw/zinc/08/24/38/792082438.db2.gz HSQYFDAMLTXYJD-MRAWALMUSA-N 0 3 316.449 2.287 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C(F)(F)F ZINC001099199873 792136165 /nfs/dbraw/zinc/13/61/65/792136165.db2.gz IOTJCECHWPVBJN-RKDXNWHRSA-N 0 3 300.271 2.197 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C(F)(F)F ZINC001099234187 792145864 /nfs/dbraw/zinc/14/58/64/792145864.db2.gz SLQUFIMEHYZDSA-CHWSQXEVSA-N 0 3 315.339 2.492 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CC)SC)C[C@H]1C(F)(F)F ZINC001099238923 792147723 /nfs/dbraw/zinc/14/77/23/792147723.db2.gz AKQCEXSITCWZJR-MXWKQRLJSA-N 0 3 310.385 2.293 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnn(CC)c1 ZINC001099303746 792165106 /nfs/dbraw/zinc/16/51/06/792165106.db2.gz IGNWIKMMFAOVCP-MRXNPFEDSA-N 0 3 318.465 2.238 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncn1C ZINC001099325416 792171060 /nfs/dbraw/zinc/17/10/60/792171060.db2.gz UKPLBYZLRZJXDR-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099323768 792171615 /nfs/dbraw/zinc/17/16/15/792171615.db2.gz ASVKUDJIZNPUEF-AWEZNQCLSA-N 0 3 304.438 2.053 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC001093176236 792264998 /nfs/dbraw/zinc/26/49/98/792264998.db2.gz BLAJMWMTECJPCQ-CHWSQXEVSA-N 0 3 320.820 2.280 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C[C@@H]1O ZINC001099726546 792329431 /nfs/dbraw/zinc/32/94/31/792329431.db2.gz IBOARWHPCSHTBR-MSOLQXFVSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099856446 792384444 /nfs/dbraw/zinc/38/44/44/792384444.db2.gz XCUFBRASJZYHRO-IRXDYDNUSA-N 0 3 302.418 2.094 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)[C@H](O)C1 ZINC001100133498 792484162 /nfs/dbraw/zinc/48/41/62/792484162.db2.gz AUCCZERLFYSKPH-ZWKOTPCHSA-N 0 3 322.493 2.270 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)CC)C[C@H]1c1ccc(OC)cc1 ZINC001100146986 792486619 /nfs/dbraw/zinc/48/66/19/792486619.db2.gz AKYGBKZESFEASS-DLBZAZTESA-N 0 3 300.402 2.013 20 30 DEEDHN C=CCCC(=O)NCC1CC(N[C@@H](C)c2cnc(C)cn2)C1 ZINC001100176919 792502113 /nfs/dbraw/zinc/50/21/13/792502113.db2.gz NAAJMPBLYJFOPM-NFOMZHRRSA-N 0 3 302.422 2.297 20 30 DEEDHN C=CCOCC(=O)NCC1CC(NCc2cc(C)ccc2F)C1 ZINC001100186787 792506759 /nfs/dbraw/zinc/50/67/59/792506759.db2.gz KVXAJMLERZKPQF-UHFFFAOYSA-N 0 3 320.408 2.321 20 30 DEEDHN Cc1ccc(F)c(CNC2CC(CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001100196488 792511402 /nfs/dbraw/zinc/51/14/02/792511402.db2.gz KZWAARNNQRJEMI-OPFPJEHXSA-N 0 3 303.381 2.278 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100580075 792730496 /nfs/dbraw/zinc/73/04/96/792730496.db2.gz BIOLPTXWUKRPOP-OFLPRAFFSA-N 0 3 302.393 2.271 20 30 DEEDHN CN(CC(=O)NCCNc1cccc(F)c1C#N)CC(C)(C)C ZINC001094140925 792744941 /nfs/dbraw/zinc/74/49/41/792744941.db2.gz AKIYALZBZZWYSH-UHFFFAOYSA-N 0 3 320.412 2.203 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccc(CC)cn2)C1 ZINC001100693053 792794111 /nfs/dbraw/zinc/79/41/11/792794111.db2.gz PAMODIGSGHSSLR-UHFFFAOYSA-N 0 3 321.852 2.423 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3nc(C)sc3C)CCC[C@@H]12 ZINC001094444668 792925104 /nfs/dbraw/zinc/92/51/04/792925104.db2.gz BAKMIYQVYCOYHG-RHSMWYFYSA-N 0 3 317.458 2.368 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cncc(CC)c3)CCC[C@@H]12 ZINC001094470531 792942843 /nfs/dbraw/zinc/94/28/43/792942843.db2.gz IKZBDNYOXDRTEQ-IEBWSBKVSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cn(C(C)C)cn3)CCC[C@@H]12 ZINC001094477829 792947616 /nfs/dbraw/zinc/94/76/16/792947616.db2.gz LCZYWNATFPAIBB-SJLPKXTDSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001101063495 792997500 /nfs/dbraw/zinc/99/75/00/792997500.db2.gz FXPHRLSLVGOSSP-NFOMZHRRSA-N 0 3 324.856 2.298 20 30 DEEDHN C=C(C)CN1CC[C@@H](Oc2ccnc(CNC(=O)CC)c2)C1 ZINC001101085319 793009678 /nfs/dbraw/zinc/00/96/78/793009678.db2.gz IZPGLJISXLQYQF-MRXNPFEDSA-N 0 3 303.406 2.137 20 30 DEEDHN C=CC[C@H](N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171731443 793186302 /nfs/dbraw/zinc/18/63/02/793186302.db2.gz BDXKKUDMOMOVSP-PVAVHDDUSA-N 0 3 302.418 2.357 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC2(CN(C[C@H](C)CC)C2)n2ccnc21 ZINC001101615369 793272599 /nfs/dbraw/zinc/27/25/99/793272599.db2.gz IIGBQBBHWZLKJA-HUUCEWRRSA-N 0 3 316.449 2.467 20 30 DEEDHN Cc1ncsc1CN1C[C@@H](CNC(=O)C#CC2CC2)[C@H](C)C1 ZINC001101951419 793457499 /nfs/dbraw/zinc/45/74/99/793457499.db2.gz PANPPRFBEPGGHM-IUODEOHRSA-N 0 3 317.458 2.049 20 30 DEEDHN C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001172852426 793519283 /nfs/dbraw/zinc/51/92/83/793519283.db2.gz RDYKQHZMKODPBL-RWEMILLDSA-N 0 3 300.761 2.236 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1C ZINC001102255055 793546977 /nfs/dbraw/zinc/54/69/77/793546977.db2.gz SLMVELCSIDIKPJ-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C[C@@H]1C[C@H](O)CCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992166 793561826 /nfs/dbraw/zinc/56/18/26/793561826.db2.gz RMPZKISRODAGFI-APIJFGDWSA-N 0 3 323.437 2.123 20 30 DEEDHN C[C@@H]1C[C@H](O)CCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992167 793562036 /nfs/dbraw/zinc/56/20/36/793562036.db2.gz RMPZKISRODAGFI-CBBWQLFWSA-N 0 3 323.437 2.123 20 30 DEEDHN C=CCOC1CCC(NCc2c(OC)ncnc2OC)CC1 ZINC001173313523 793672896 /nfs/dbraw/zinc/67/28/96/793672896.db2.gz ZNWMQNHIWARXCG-UHFFFAOYSA-N 0 3 307.394 2.097 20 30 DEEDHN C=CCOC1CCC(N2CC([C@@H](N)C(=O)OC(C)(C)C)C2)CC1 ZINC001173319863 793691745 /nfs/dbraw/zinc/69/17/45/793691745.db2.gz YWFDZJRBOGNDQU-UYSNPLJNSA-N 0 3 324.465 2.101 20 30 DEEDHN COc1cc(N2CCN(C3CCC(C)(C#N)CC3)CC2)ncn1 ZINC001173601223 793777324 /nfs/dbraw/zinc/77/73/24/793777324.db2.gz QLPPMGZHGVTOOA-UHFFFAOYSA-N 0 3 315.421 2.080 20 30 DEEDHN COC(=O)c1ccc(C[C@H](C)NC(=N)c2ccc(F)cn2)cc1 ZINC001173716312 793821065 /nfs/dbraw/zinc/82/10/65/793821065.db2.gz WBTHOYGTZUPPSN-NSHDSACASA-N 0 3 315.348 2.344 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CCCCNCc1cnns1 ZINC001174798772 794079071 /nfs/dbraw/zinc/07/90/71/794079071.db2.gz OLNWQCCMTLALFC-AWEZNQCLSA-N 0 3 322.478 2.496 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCc2cn[nH]c2)C1 ZINC001103513583 794127948 /nfs/dbraw/zinc/12/79/48/794127948.db2.gz GAROMMVVJHDZHL-IUODEOHRSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001176801845 794514350 /nfs/dbraw/zinc/51/43/50/794514350.db2.gz SETSZLTWNUHAHX-ZFWWWQNUSA-N 0 3 323.437 2.339 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)CN(C)C(C)C)C1 ZINC001112008054 794544066 /nfs/dbraw/zinc/54/40/66/794544066.db2.gz QMJGQXWBSISNFJ-HOCLYGCPSA-N 0 3 313.873 2.050 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)COCCCC)C[C@H]1C(F)(F)F ZINC001112073466 794555167 /nfs/dbraw/zinc/55/51/67/794555167.db2.gz RLNFMRQXMNAMFT-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1C(F)(F)F ZINC001112132646 794562541 /nfs/dbraw/zinc/56/25/41/794562541.db2.gz QHSARDHALTUDGF-RKDXNWHRSA-N 0 3 300.271 2.197 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C(F)(F)F ZINC001112217423 794573813 /nfs/dbraw/zinc/57/38/13/794573813.db2.gz LPWDZABAZPDTFH-CHWSQXEVSA-N 0 3 322.371 2.357 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)C1CC1 ZINC001177991153 794802160 /nfs/dbraw/zinc/80/21/60/794802160.db2.gz AJONHJQLHSYVML-GUYCJALGSA-N 0 3 300.377 2.166 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178175522 794851973 /nfs/dbraw/zinc/85/19/73/794851973.db2.gz XUOPUONROAVRBE-UXLLHSPISA-N 0 3 316.470 2.369 20 30 DEEDHN COCCCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178192701 794858038 /nfs/dbraw/zinc/85/80/38/794858038.db2.gz XZGWAXBSCOSVCY-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN CCCOCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178271504 794880917 /nfs/dbraw/zinc/88/09/17/794880917.db2.gz AHDSVTHPGLHOLQ-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN CC[C@@H](C(=O)N(C)C[C@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001115785185 794918932 /nfs/dbraw/zinc/91/89/32/794918932.db2.gz BIWSBLFWQZIEHB-LRDDRELGSA-N 0 3 320.412 2.296 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001179384238 795110242 /nfs/dbraw/zinc/11/02/42/795110242.db2.gz HIHSCOYTIYRBIV-LZWOXQAQSA-N 0 3 304.438 2.101 20 30 DEEDHN COc1ccc(C[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC001118060528 795147988 /nfs/dbraw/zinc/14/79/88/795147988.db2.gz FYUVSIYFZBOHQY-CJNGLKHVSA-N 0 3 303.406 2.106 20 30 DEEDHN C=C[C@@H](COC)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001118090706 795152573 /nfs/dbraw/zinc/15/25/73/795152573.db2.gz OFSSMOYHNYXTNS-WCQYABFASA-N 0 3 305.296 2.409 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC001119320922 795287471 /nfs/dbraw/zinc/28/74/71/795287471.db2.gz VAIVTELXGVAIAR-MRVPVSSYSA-N 0 3 323.706 2.058 20 30 DEEDHN C=CCSCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001180561242 795330767 /nfs/dbraw/zinc/33/07/67/795330767.db2.gz AOZBRMVFHTVKJR-UHFFFAOYSA-N 0 3 319.474 2.329 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC001119834600 795361905 /nfs/dbraw/zinc/36/19/05/795361905.db2.gz ALKZIZAHQAXZGO-WFASDCNBSA-N 0 3 317.364 2.006 20 30 DEEDHN C#CCn1cc(CNC[C@@H](O)c2ccc(C(F)(F)F)cc2)cn1 ZINC001120511683 795474858 /nfs/dbraw/zinc/47/48/58/795474858.db2.gz SYINHPVJTNNRMP-OAHLLOKOSA-N 0 3 323.318 2.358 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC001181598371 795502134 /nfs/dbraw/zinc/50/21/34/795502134.db2.gz FGCXLHLLYUQTPJ-LLVKDONJSA-N 0 3 314.838 2.295 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(C)onc1-c1cccs1 ZINC001120657098 795507312 /nfs/dbraw/zinc/50/73/12/795507312.db2.gz QRZIYSGFWKEGCW-UHFFFAOYSA-N 0 3 317.414 2.396 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/c1ccco1)C2 ZINC001110247939 795546565 /nfs/dbraw/zinc/54/65/65/795546565.db2.gz RLQVGJNHIZJESM-KNYULQNZSA-N 0 3 316.401 2.217 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC001120919252 795558276 /nfs/dbraw/zinc/55/82/76/795558276.db2.gz PZQWCICNRHTQSX-CQSZACIVSA-N 0 3 315.417 2.259 20 30 DEEDHN Cc1cc(CNC2CC3(C2)CC(NC(=O)C#CC(C)C)C3)on1 ZINC001121077728 795587011 /nfs/dbraw/zinc/58/70/11/795587011.db2.gz UYOMAFUBELMUKN-UHFFFAOYSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccc(F)cn2)CC1 ZINC001151079687 795603930 /nfs/dbraw/zinc/60/39/30/795603930.db2.gz DLLKBNXKOJZGOT-UHFFFAOYSA-N 0 3 321.396 2.008 20 30 DEEDHN CC/C=C\CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110300724 795678497 /nfs/dbraw/zinc/67/84/97/795678497.db2.gz KUAUIDNYYSDQPO-QJAGCICUSA-N 0 3 307.463 2.321 20 30 DEEDHN CC/C=C/CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110300725 795678675 /nfs/dbraw/zinc/67/86/75/795678675.db2.gz KUAUIDNYYSDQPO-UAGKGSFFSA-N 0 3 307.463 2.321 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001121974214 795711002 /nfs/dbraw/zinc/71/10/02/795711002.db2.gz GAJRANAGJVLMHX-INIZCTEOSA-N 0 3 305.397 2.158 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c(F)ccc3ccncc32)C1 ZINC001182709625 795737777 /nfs/dbraw/zinc/73/77/77/795737777.db2.gz XPZAIMCWVJMSNT-CQSZACIVSA-N 0 3 311.360 2.201 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)COc2cccc(C(C)C)c2)C1 ZINC001182754148 795739789 /nfs/dbraw/zinc/73/97/89/795739789.db2.gz BBDNCODNDSLXMY-QGZVFWFLSA-N 0 3 314.429 2.403 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001122266819 795741248 /nfs/dbraw/zinc/74/12/48/795741248.db2.gz HNOQNZMEFAHFAJ-JOYOIKCWSA-N 0 3 311.769 2.284 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001122331502 795748715 /nfs/dbraw/zinc/74/87/15/795748715.db2.gz LDJDTZAZCBDIHL-HUUCEWRRSA-N 0 3 305.809 2.335 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@H]2CCCO2)c1 ZINC001122449650 795758662 /nfs/dbraw/zinc/75/86/62/795758662.db2.gz VDDSLXKZSVRIPB-NILFDRSVSA-N 0 3 316.357 2.158 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1ncc(C(=O)OC)cc1Cl ZINC001183039777 795793900 /nfs/dbraw/zinc/79/39/00/795793900.db2.gz ZEHOINRBXUOFOY-UHFFFAOYSA-N 0 3 323.780 2.112 20 30 DEEDHN Cc1nn(C)c2ncc(C(=O)C(C#N)c3cccc(F)n3)cc12 ZINC001122712202 795796868 /nfs/dbraw/zinc/79/68/68/795796868.db2.gz JHINJXOCJWIGIV-LBPRGKRZSA-N 0 3 309.304 2.301 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3cncs3)C2)CCC1 ZINC001183193060 795821064 /nfs/dbraw/zinc/82/10/64/795821064.db2.gz DMUSTNSKWSEIQH-CYBMUJFWSA-N 0 3 303.431 2.027 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cccc3ccc(C)nc32)C1 ZINC001183521578 795878878 /nfs/dbraw/zinc/87/88/78/795878878.db2.gz LKYNGEIQUZFLID-MRXNPFEDSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cnc(C)cn2)[C@@H](C)C1 ZINC001184077662 795989449 /nfs/dbraw/zinc/98/94/49/795989449.db2.gz JQWZZHQXMHIVFX-HOCLYGCPSA-N 0 3 316.449 2.325 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001184127100 795992493 /nfs/dbraw/zinc/99/24/93/795992493.db2.gz JRGQWDHGNOVNQJ-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2nc3ccccc3cc2C)C1 ZINC001184417044 796061073 /nfs/dbraw/zinc/06/10/73/796061073.db2.gz ZNIYRBLGMGPYLK-MRXNPFEDSA-N 0 3 307.397 2.371 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001184807037 796121683 /nfs/dbraw/zinc/12/16/83/796121683.db2.gz QECWQOJJVOOQRI-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN COC(=O)c1ccccc1CN1CCC2SC(=O)C=C2C1 ZINC001137785392 796139482 /nfs/dbraw/zinc/13/94/82/796139482.db2.gz DWLHLSVNLMJXKG-CQSZACIVSA-N 0 3 303.383 2.247 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001185071370 796182496 /nfs/dbraw/zinc/18/24/96/796182496.db2.gz UHQAFEAIPNRLMQ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001185296183 796231853 /nfs/dbraw/zinc/23/18/53/796231853.db2.gz JSASBOZCTPBCKF-MRXNPFEDSA-N 0 3 323.481 2.179 20 30 DEEDHN Cc1ccc(CNC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001185380844 796245386 /nfs/dbraw/zinc/24/53/86/796245386.db2.gz XPJJJIJUNRCZTR-CQSZACIVSA-N 0 3 302.399 2.479 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c1[O-] ZINC001138630736 796247547 /nfs/dbraw/zinc/24/75/47/796247547.db2.gz CEJJRSFCYRITDH-UHFFFAOYSA-N 0 3 300.402 2.365 20 30 DEEDHN COc1ccc(CNC(=O)N2CCC3SC(=O)C=C3C2)cc1 ZINC001185520958 796276118 /nfs/dbraw/zinc/27/61/18/796276118.db2.gz CZNXAKFKFVTSTE-AWEZNQCLSA-N 0 3 318.398 2.179 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001185951582 796337673 /nfs/dbraw/zinc/33/76/73/796337673.db2.gz RWGSAOSJMJMZIP-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001186040051 796354448 /nfs/dbraw/zinc/35/44/48/796354448.db2.gz BTNPMACAZUYJLI-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001186111099 796362679 /nfs/dbraw/zinc/36/26/79/796362679.db2.gz OYFSQLHNVXEIAX-QGZVFWFLSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001186355611 796393103 /nfs/dbraw/zinc/39/31/03/796393103.db2.gz JCVFMTOCSXDBJB-YLJYHZDGSA-N 0 3 310.441 2.494 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001186496556 796408579 /nfs/dbraw/zinc/40/85/79/796408579.db2.gz LCVZOULZFYPLIV-QGZVFWFLSA-N 0 3 307.397 2.371 20 30 DEEDHN N#Cc1cccc2c(CN3CC[C@@H](Oc4ncccn4)C3)c[nH]c21 ZINC001139707565 796413313 /nfs/dbraw/zinc/41/33/13/796413313.db2.gz KGTZODBVIHYZFB-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN C=CCn1cc(CN2CCC[C@@H](C(=O)N(CC)CC)C2)cn1 ZINC001139765373 796423371 /nfs/dbraw/zinc/42/33/71/796423371.db2.gz BTPNYJXGLNQLFA-MRXNPFEDSA-N 0 3 304.438 2.150 20 30 DEEDHN C=CCn1cc(CN2CC[C@@H](CC(=O)OCC)[C@@H](C)C2)cn1 ZINC001139774491 796425316 /nfs/dbraw/zinc/42/53/16/796425316.db2.gz HWEWRMQLHLBKCU-HOCLYGCPSA-N 0 3 305.422 2.480 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ncc(C)s2)CC1 ZINC001139812201 796430397 /nfs/dbraw/zinc/43/03/97/796430397.db2.gz MIRXNZBCXPSBEP-UHFFFAOYSA-N 0 3 320.506 2.243 20 30 DEEDHN N#Cc1cc(F)cc(CN2CCC3(CCCNC3=O)CC2)c1 ZINC001139875167 796439689 /nfs/dbraw/zinc/43/96/89/796439689.db2.gz JDMQEHOLLZPLNV-UHFFFAOYSA-N 0 3 301.365 2.190 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccnc(O[C@H](C)CC)c2)C1 ZINC001186941767 796460997 /nfs/dbraw/zinc/46/09/97/796460997.db2.gz QWDSLZBPQFMMMT-GDBMZVCRSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001186974905 796468460 /nfs/dbraw/zinc/46/84/60/796468460.db2.gz FIEKOBPMHLFYCX-WXJAXGNASA-N 0 3 321.808 2.203 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCc2ccon2)C12CCC2 ZINC001203169029 796494087 /nfs/dbraw/zinc/49/40/87/796494087.db2.gz NXELSPKJVUXGIF-ZIAGYGMSSA-N 0 3 323.824 2.377 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001187447879 796537484 /nfs/dbraw/zinc/53/74/84/796537484.db2.gz QGMBBIILGJSQLU-LSDHHAIUSA-N 0 3 320.477 2.404 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2ccccc2Cl)C1 ZINC001187649493 796562341 /nfs/dbraw/zinc/56/23/41/796562341.db2.gz KPTOZIYOBPCLOV-OAHLLOKOSA-N 0 3 304.821 2.486 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001188229456 796646411 /nfs/dbraw/zinc/64/64/11/796646411.db2.gz KBDCXOYPNWPHRI-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001188322270 796657651 /nfs/dbraw/zinc/65/76/51/796657651.db2.gz IFBKUSKPFCALNR-YESZJQIVSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC001188702485 796707881 /nfs/dbraw/zinc/70/78/81/796707881.db2.gz QRDVQNIXICRVPT-MRXNPFEDSA-N 0 3 306.381 2.175 20 30 DEEDHN N#Cc1ccnc(NC(=O)C2CCN(Cc3ccncc3)CC2)c1 ZINC001142342332 796737076 /nfs/dbraw/zinc/73/70/76/796737076.db2.gz NKYGYOPIMUPXNP-UHFFFAOYSA-N 0 3 321.384 2.199 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001189041971 796759370 /nfs/dbraw/zinc/75/93/70/796759370.db2.gz ZSQFFWRBAPHRTB-ODZFXCKXSA-N 0 3 324.440 2.250 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H]3CN(CCOCC)C[C@H]32)CC1 ZINC001189041267 796759409 /nfs/dbraw/zinc/75/94/09/796759409.db2.gz QWZLEASJIGJFRB-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)CCOC2CCC2)C1 ZINC001189243050 796789795 /nfs/dbraw/zinc/78/97/95/796789795.db2.gz PTQRJIAWIWGTEO-HZPDHXFCSA-N 0 3 324.465 2.069 20 30 DEEDHN CCOCCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189301960 796799847 /nfs/dbraw/zinc/79/98/47/796799847.db2.gz VHLFDYIKRLJFRA-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)C[C@@H](O)c2ccc(F)cc2)C1 ZINC001189319179 796807127 /nfs/dbraw/zinc/80/71/27/796807127.db2.gz UZAJSFYENORSAL-DLBZAZTESA-N 0 3 320.408 2.358 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001189527603 796846856 /nfs/dbraw/zinc/84/68/56/796846856.db2.gz POUBYNVDEAFWOL-MWDXBVQZSA-N 0 3 306.450 2.158 20 30 DEEDHN C[C@H]1CC[C@@H](CCC(=O)NCCNCc2cccc(C#N)c2)O1 ZINC001151793993 796865342 /nfs/dbraw/zinc/86/53/42/796865342.db2.gz JEDADGLHCJOCPI-YOEHRIQHSA-N 0 3 315.417 2.112 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(F)cc2F)s1 ZINC001149630470 796878268 /nfs/dbraw/zinc/87/82/68/796878268.db2.gz YUBGCFYETYIXFI-UHFFFAOYSA-N 0 3 321.352 2.418 20 30 DEEDHN Cc1ccccc1OCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001149703800 796889264 /nfs/dbraw/zinc/88/92/64/796889264.db2.gz ZBFSXEAXWPWHGF-UHFFFAOYSA-N 0 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CC#CCN(CC)[C@H](C)CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001153710039 797379204 /nfs/dbraw/zinc/37/92/04/797379204.db2.gz BYTCDCDWTQRVEV-CQSZACIVSA-N 0 3 304.438 2.102 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCC1CCOCC1 ZINC001153744444 797386002 /nfs/dbraw/zinc/38/60/02/797386002.db2.gz YTYIZIRDAYNMNR-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001192436052 797390625 /nfs/dbraw/zinc/39/06/25/797390625.db2.gz RWYMBRPTHKOWMG-BRWVUGGUSA-N 0 3 308.466 2.404 20 30 DEEDHN C=C(Br)CNCCCNC(=O)/C=C/c1ccco1 ZINC001154218600 797487792 /nfs/dbraw/zinc/48/77/92/797487792.db2.gz QDSHJSYCXYPSMG-AATRIKPKSA-N 0 3 313.195 2.297 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(-c2ccccc2)c1 ZINC001154229659 797492391 /nfs/dbraw/zinc/49/23/91/797492391.db2.gz ZABRCVUSHLTJSZ-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1(C2CC2)CCC1 ZINC001154500754 797546469 /nfs/dbraw/zinc/54/64/69/797546469.db2.gz ITJMREWBDLJHIV-OAHLLOKOSA-N 0 3 306.450 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C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001209194504 801147615 /nfs/dbraw/zinc/14/76/15/801147615.db2.gz OXUSXOHRRRHIMP-JSGCOSHPSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCCCN1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001209201337 801148834 /nfs/dbraw/zinc/14/88/34/801148834.db2.gz YOGIIWWVIYZFGP-KRWDZBQOSA-N 0 3 307.438 2.430 20 30 DEEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)cc2c1OCO2 ZINC001209711162 801261070 /nfs/dbraw/zinc/26/10/70/801261070.db2.gz ALUIZNIIXZRRTD-CQSZACIVSA-N 0 3 319.382 2.198 20 30 DEEDHN O=C([C@H]1CC12CC2)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209808332 801288307 /nfs/dbraw/zinc/28/83/07/801288307.db2.gz KPDXJDCHYCXAKQ-QZTJIDSGSA-N 0 3 308.425 2.419 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2c(C)noc2C)CC1 ZINC001229525694 801289546 /nfs/dbraw/zinc/28/95/46/801289546.db2.gz FOSVGZRQKLIAKJ-LBPRGKRZSA-N 0 3 305.422 2.237 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2scnc2C)C1 ZINC001209965039 801313327 /nfs/dbraw/zinc/31/33/27/801313327.db2.gz 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/nfs/dbraw/zinc/58/84/59/801588459.db2.gz SMSBHUCGHLGCCX-NUEKZKHPSA-N 0 3 306.406 2.372 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1OC)c1ccccc1 ZINC001213900028 801652988 /nfs/dbraw/zinc/65/29/88/801652988.db2.gz QKMZBGWIQZULCT-KZNAEPCWSA-N 0 3 314.429 2.182 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NCC#Cc1ccccc1 ZINC001214130123 801679905 /nfs/dbraw/zinc/67/99/05/801679905.db2.gz TZRCBMJBQFAFMO-CRAIPNDOSA-N 0 3 307.397 2.117 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@H](OCC(=O)OC)C2)c1 ZINC001231624805 801698894 /nfs/dbraw/zinc/69/88/94/801698894.db2.gz MDDGIACKBQNYAO-INIZCTEOSA-N 0 3 305.374 2.015 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(CO)ccc2F)C1 ZINC001214304142 801701577 /nfs/dbraw/zinc/70/15/77/801701577.db2.gz JLRJXJCWVRLOOV-CXAGYDPISA-N 0 3 320.408 2.221 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001214741267 801755967 /nfs/dbraw/zinc/75/59/67/801755967.db2.gz CUBSCLDOBBWPOW-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)n1 ZINC001232927501 801986304 /nfs/dbraw/zinc/98/63/04/801986304.db2.gz CDUSUNMMSBWDBT-IRXDYDNUSA-N 0 3 302.397 2.352 20 30 DEEDHN N#Cc1cc[nH]c1CN1CCN2C[C@@H](Oc3ccccc3)C[C@H]2C1 ZINC001233044669 802013174 /nfs/dbraw/zinc/01/31/74/802013174.db2.gz MXXFJQKQMSHAQT-WMZOPIPTSA-N 0 3 322.412 2.224 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cnc([C@H](C)CC)nc1 ZINC001216926170 802037618 /nfs/dbraw/zinc/03/76/18/802037618.db2.gz MIRDDLKXSWKFRZ-CYBMUJFWSA-N 0 3 303.410 2.067 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 ZINC001217218962 802059589 /nfs/dbraw/zinc/05/95/89/802059589.db2.gz HLZHKKOKOLVKNA-JKSUJKDBSA-N 0 3 320.458 2.168 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@@H](CC)OC)[C@H]2C1 ZINC001217435652 802077129 /nfs/dbraw/zinc/07/71/29/802077129.db2.gz PCLGGYMIXISFDX-GVDBMIGSSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)COCCCC)[C@H]2C1 ZINC001217590279 802087901 /nfs/dbraw/zinc/08/79/01/802087901.db2.gz HNTITMCOWKBRBF-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCO[C@@H]2CN(CC3CCCC3)C[C@@H]21 ZINC001217844165 802116693 /nfs/dbraw/zinc/11/66/93/802116693.db2.gz QLKWKDANEJPZLU-DLBZAZTESA-N 0 3 318.461 2.138 20 30 DEEDHN C#C[C@H](COc1cccc(Cl)c1)OC[C@H]1COC(C)(C)N1 ZINC001217928084 802121081 /nfs/dbraw/zinc/12/10/81/802121081.db2.gz NBMJEVRUJNWHQE-UONOGXRCSA-N 0 3 309.793 2.462 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001217986971 802128545 /nfs/dbraw/zinc/12/85/45/802128545.db2.gz KJQUSSLJMQIBBM-DLBZAZTESA-N 0 3 304.434 2.076 20 30 DEEDHN CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001233741962 802195947 /nfs/dbraw/zinc/19/59/47/802195947.db2.gz MQGONJLEUBLHBQ-YIEVGGLXSA-N 0 3 300.406 2.389 20 30 DEEDHN CC/C=C/CCN1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001233741957 802196027 /nfs/dbraw/zinc/19/60/27/802196027.db2.gz MQGONJLEUBLHBQ-APHBUQMISA-N 0 3 300.406 2.389 20 30 DEEDHN N#Cc1n[nH]cc1NC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001218656528 802222857 /nfs/dbraw/zinc/22/28/57/802222857.db2.gz XCLCGMJPPLHEAI-SNVBAGLBSA-N 0 3 323.278 2.329 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001234163139 802315033 /nfs/dbraw/zinc/31/50/33/802315033.db2.gz YEHJGZYABSTKAW-LSDHHAIUSA-N 0 3 302.422 2.286 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@H](C)SC)[C@@H](O)C1 ZINC001219476080 802336637 /nfs/dbraw/zinc/33/66/37/802336637.db2.gz NXOZHJUEIZKSLF-ZNMIVQPWSA-N 0 3 316.511 2.260 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2c(C)ccn2C)[C@@H](O)C1 ZINC001219512715 802339144 /nfs/dbraw/zinc/33/91/44/802339144.db2.gz AHHNPHRSYQLLQR-CVEARBPZSA-N 0 3 321.465 2.079 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001234267426 802340206 /nfs/dbraw/zinc/34/02/06/802340206.db2.gz ZFVXVACBGFIXKW-HOTGVXAUSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccsc2C)[C@@H](O)C1 ZINC001219574529 802349058 /nfs/dbraw/zinc/34/90/58/802349058.db2.gz DLFISAYHJWMXMW-DFBGVHRSSA-N 0 3 308.447 2.186 20 30 DEEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCC[C@H](C)O ZINC001234518132 802399511 /nfs/dbraw/zinc/39/95/11/802399511.db2.gz RWOTXYWKHKNMMT-RDJZCZTQSA-N 0 3 308.466 2.449 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220292226 802439095 /nfs/dbraw/zinc/43/90/95/802439095.db2.gz QXBMOWXIKGWDLG-QNTJFNKGSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(CCC)CC2)[C@@H](O)C1 ZINC001220312982 802443976 /nfs/dbraw/zinc/44/39/76/802443976.db2.gz HUNPIFBACCKHIN-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC/C=C/c2ccccc2)[C@@H](O)C1 ZINC001220346943 802447182 /nfs/dbraw/zinc/44/71/82/802447182.db2.gz CBMPBOLGMMJMNM-UVWGOUGDSA-N 0 3 314.429 2.217 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001220377978 802449847 /nfs/dbraw/zinc/44/98/47/802449847.db2.gz VWKOOJGGSIHLPK-MCIONIFRSA-N 0 3 318.408 2.185 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(C)c2Cl)[C@@H](O)C1 ZINC001220575043 802475250 /nfs/dbraw/zinc/47/52/50/802475250.db2.gz OOLDWYSWJNBCBK-CABCVRRESA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](O)C1 ZINC001220678416 802486274 /nfs/dbraw/zinc/48/62/74/802486274.db2.gz XMFHEDVQRGHCEQ-ZNMIVQPWSA-N 0 3 312.429 2.175 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](O)C1 ZINC001220762016 802494759 /nfs/dbraw/zinc/49/47/59/802494759.db2.gz HGDGPRWZYYUCBS-OAGGEKHMSA-N 0 3 314.445 2.422 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CCC(=C)C)C[C@@H]1O)c1ccccc1 ZINC001221048009 802524234 /nfs/dbraw/zinc/52/42/34/802524234.db2.gz BKBHGMUIDOANGZ-KSZLIROESA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)[C@@H]2C1 ZINC001221454317 802575993 /nfs/dbraw/zinc/57/59/93/802575993.db2.gz ALVQUHAGAVRZIS-AJKQWTFCSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001221744042 802608880 /nfs/dbraw/zinc/60/88/80/802608880.db2.gz AWYVXPDTWPFJQA-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(C[C@H](C)OC)C[C@H]32)CC1 ZINC001221795128 802615597 /nfs/dbraw/zinc/61/55/97/802615597.db2.gz LFBLOWHDZHADPU-ARFHVFGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@H]3CCN([C@@H](C)COC)C[C@H]32)CC1 ZINC001221795285 802616900 /nfs/dbraw/zinc/61/69/00/802616900.db2.gz RUPLVRUKAXZFFT-ARFHVFGLSA-N 0 3 306.450 2.300 20 30 DEEDHN N#Cc1cccc(CN2CCC(CNC(=O)C(F)F)CC2)c1 ZINC001222217097 802656670 /nfs/dbraw/zinc/65/66/70/802656670.db2.gz OXLNSZWVGPZXNQ-UHFFFAOYSA-N 0 3 307.344 2.152 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccc(F)cc2F)CC1 ZINC001223266228 802776145 /nfs/dbraw/zinc/77/61/45/802776145.db2.gz PSWXPSIKSVWVOZ-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](OCc3ccc(C#N)s3)C[C@H]1N2C ZINC001223288067 802778551 /nfs/dbraw/zinc/77/85/51/802778551.db2.gz FUKIMHQMUNXNGQ-RKLWJJNISA-N 0 3 320.414 2.303 20 30 DEEDHN N#Cc1ccnc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001223367877 802785776 /nfs/dbraw/zinc/78/57/76/802785776.db2.gz PSHAYONFNGZCFG-CALCHBBNSA-N 0 3 301.390 2.113 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCC(F)(F)F)C[C@@H]21 ZINC001223554156 802800375 /nfs/dbraw/zinc/80/03/75/802800375.db2.gz BCBVTTMZSCOJAG-OLZOCXBDSA-N 0 3 302.340 2.275 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001223900998 802821741 /nfs/dbraw/zinc/82/17/41/802821741.db2.gz SPJHCVKLGMHZMH-QZTJIDSGSA-N 0 3 318.461 2.186 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001225428051 802965155 /nfs/dbraw/zinc/96/51/55/802965155.db2.gz YTXUKELMCOSQGV-HBNTYKKESA-N 0 3 304.221 2.482 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cn2ccc3ccccc32)CC1 ZINC001225479180 802972252 /nfs/dbraw/zinc/97/22/52/802972252.db2.gz RVGWJXJKNLLXHU-UHFFFAOYSA-N 0 3 323.440 2.493 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccnn1C ZINC001226547453 803121803 /nfs/dbraw/zinc/12/18/03/803121803.db2.gz NXLZHNUUTJGXIN-HUUCEWRRSA-N 0 3 324.856 2.122 20 30 DEEDHN C[C@@H]1CC[C@H](CN2CCC(NC(=O)C#CC(C)(C)C)CC2)O1 ZINC001227281373 803226822 /nfs/dbraw/zinc/22/68/22/803226822.db2.gz SVCSCCYYWBCSIN-GDBMZVCRSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001227562753 803252908 /nfs/dbraw/zinc/25/29/08/803252908.db2.gz XOAJLILEHMLECP-UHFFFAOYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(C)CCC(=O)NC1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC001227607619 803258654 /nfs/dbraw/zinc/25/86/54/803258654.db2.gz WLJFARKAJJSYNP-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C)c(C)cn2)CC1 ZINC001228386835 803353241 /nfs/dbraw/zinc/35/32/41/803353241.db2.gz HNOCLVQAKUITLX-UHFFFAOYSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(OC)cs2)CC1 ZINC001228560546 803375181 /nfs/dbraw/zinc/37/51/81/803375181.db2.gz ZWISFVXWXUDBMR-UHFFFAOYSA-N 0 3 324.446 2.154 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001228801471 803415781 /nfs/dbraw/zinc/41/57/81/803415781.db2.gz PIVXTRGWPXNWJX-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001417899691 1167292438 /nfs/dbraw/zinc/29/24/38/1167292438.db2.gz PYWOEXYXFOIMOB-JSGCOSHPSA-N 0 3 308.813 2.202 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)CC(=O)N[C@H](C)C(C)C)CC1 ZINC001331002262 1149356822 /nfs/dbraw/zinc/35/68/22/1149356822.db2.gz XMMXMTFAKGCPHL-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001331174871 1149392705 /nfs/dbraw/zinc/39/27/05/1149392705.db2.gz WRVNRCSVEFXSDK-UHFFFAOYSA-N 0 3 324.371 2.110 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001331532935 1149511906 /nfs/dbraw/zinc/51/19/06/1149511906.db2.gz ISXPYQMHRDLKSW-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001331544984 1149523215 /nfs/dbraw/zinc/52/32/15/1149523215.db2.gz SDPHBYPHLWBAMW-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CO[C@H](C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001419700761 1168808697 /nfs/dbraw/zinc/80/86/97/1168808697.db2.gz BUKURJPWTLDCHQ-DOMZBBRYSA-N 0 3 323.462 2.227 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001419723467 1168821271 /nfs/dbraw/zinc/82/12/71/1168821271.db2.gz UZZZKVZRBNOCEA-QWRGUYRKSA-N 0 3 309.797 2.103 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@]3(C)C=CCC3)CC2)C1 ZINC001328130424 1148728179 /nfs/dbraw/zinc/72/81/79/1148728179.db2.gz TUDISLYHVQPNQR-IBGZPJMESA-N 0 3 317.477 2.137 20 30 DEEDHN C=CCCCC[NH+]1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001573334618 947459278 /nfs/dbraw/zinc/45/92/78/947459278.db2.gz GLPRMWDAFGJLNH-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=CCCCC[NH+]1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001573334618 947459285 /nfs/dbraw/zinc/45/92/85/947459285.db2.gz GLPRMWDAFGJLNH-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN COc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)c(OC)c1 ZINC001343745860 1150769128 /nfs/dbraw/zinc/76/91/28/1150769128.db2.gz WPFXUTLKRWDSFA-IUODEOHRSA-N 0 3 319.405 2.292 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)Cc1ccco1 ZINC001368873492 1148737920 /nfs/dbraw/zinc/73/79/20/1148737920.db2.gz HNABIZWLHVUQOO-RYUDHWBXSA-N 0 3 317.414 2.438 20 30 DEEDHN CCCOCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001331861031 1149736442 /nfs/dbraw/zinc/73/64/42/1149736442.db2.gz RHBAZJNQRLHQFW-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001522634465 1069428172 /nfs/dbraw/zinc/42/81/72/1069428172.db2.gz IEOIVSQTDGOTAY-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)OCC[C@H]2C)CC1 ZINC001350774302 1151398308 /nfs/dbraw/zinc/39/83/08/1151398308.db2.gz YWFPFUOBZXLGEO-HUUCEWRRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCC(=O)N1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001350836933 1151409563 /nfs/dbraw/zinc/40/95/63/1151409563.db2.gz MVGOBPOUBZGHST-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001602762769 1069750180 /nfs/dbraw/zinc/75/01/80/1069750180.db2.gz HZYSQBSDQDTHJU-UHFFFAOYSA-N 0 3 316.384 2.458 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001602762769 1069750184 /nfs/dbraw/zinc/75/01/84/1069750184.db2.gz HZYSQBSDQDTHJU-UHFFFAOYSA-N 0 3 316.384 2.458 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCCc2nc(C)no2)[C@@H](C)C1 ZINC001328238279 1148749034 /nfs/dbraw/zinc/74/90/34/1148749034.db2.gz DBSQDCGDGCOEQD-DZGCQCFKSA-N 0 3 320.437 2.246 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)CCOCC)cc1 ZINC001328752116 1148831290 /nfs/dbraw/zinc/83/12/90/1148831290.db2.gz DOKRYKAFEDWERD-GOSISDBHSA-N 0 3 314.429 2.241 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1cccc(OC)c1 ZINC001328785584 1148834918 /nfs/dbraw/zinc/83/49/18/1148834918.db2.gz JJVBGIJUVDJIKL-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)OC ZINC001328797480 1148836501 /nfs/dbraw/zinc/83/65/01/1148836501.db2.gz OFFXUHHEKOMEDW-QZTJIDSGSA-N 0 3 316.445 2.353 20 30 DEEDHN C#CCCCC(=O)NC1CC(CN[C@H](C)c2cnc(C)cn2)C1 ZINC001328852656 1148841805 /nfs/dbraw/zinc/84/18/05/1148841805.db2.gz RKWSPOQTIRFGPR-QQFBHYJXSA-N 0 3 314.433 2.134 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001531199836 1071456673 /nfs/dbraw/zinc/45/66/73/1071456673.db2.gz CNXITBOADIDSLF-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC001328928516 1148848876 /nfs/dbraw/zinc/84/88/76/1148848876.db2.gz SHPUOASCCNRIND-UHFFFAOYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001499982904 1058415733 /nfs/dbraw/zinc/41/57/33/1058415733.db2.gz XSQNIEYBVSJUAY-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001499982905 1058416176 /nfs/dbraw/zinc/41/61/76/1058416176.db2.gz XSQNIEYBVSJUAY-WBVHZDCISA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1 ZINC001500012473 1058430744 /nfs/dbraw/zinc/43/07/44/1058430744.db2.gz FQOOYDIDIXRJTN-HOTGVXAUSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C/C=C(\C)C=C)C2)CC1 ZINC001500018583 1058434625 /nfs/dbraw/zinc/43/46/25/1058434625.db2.gz LDLOZYQSFUKCLI-UMNNMYMZSA-N 0 3 316.445 2.129 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001500293185 1058668692 /nfs/dbraw/zinc/66/86/92/1058668692.db2.gz RTPFDDVEOXHIPI-PKOBYXMFSA-N 0 3 316.445 2.401 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001500444231 1058788435 /nfs/dbraw/zinc/78/84/35/1058788435.db2.gz HNRBWWHRUWYIQP-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN Cc1ncsc1CN1CCC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001500485440 1058838938 /nfs/dbraw/zinc/83/89/38/1058838938.db2.gz NDIVMUUMBUHWRP-LRDDRELGSA-N 0 3 320.462 2.330 20 30 DEEDHN C=CCCCC(=O)NCC1(NCc2ccccn2)CCOCC1 ZINC001500582137 1058934161 /nfs/dbraw/zinc/93/41/61/1058934161.db2.gz SWYUQDDRTVKSNR-UHFFFAOYSA-N 0 3 317.433 2.193 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)COC)CCC1(F)F ZINC001500614160 1058965405 /nfs/dbraw/zinc/96/54/05/1058965405.db2.gz RQYNTLYTWDVVOH-QWHCGFSZSA-N 0 3 318.408 2.307 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001500717847 1059036144 /nfs/dbraw/zinc/03/61/44/1059036144.db2.gz HCKASWWPKCTHAU-KRWDZBQOSA-N 0 3 322.836 2.391 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](CC)OCC)C2)CC1 ZINC001501016633 1059204192 /nfs/dbraw/zinc/20/41/92/1059204192.db2.gz YVADHLRDYQUYRJ-ROUUACIJSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccncc1F ZINC001501194016 1059366465 /nfs/dbraw/zinc/36/64/65/1059366465.db2.gz XVNQULOWOQJCKG-UHFFFAOYSA-N 0 3 311.360 2.086 20 30 DEEDHN CCC1(C(=O)NC[C@H]2CCN(CC#CCOC)C2)CCCCC1 ZINC001493268018 1059439681 /nfs/dbraw/zinc/43/96/81/1059439681.db2.gz UJUQTGVMBPWQLE-QGZVFWFLSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H](C)n1cccn1 ZINC001501661182 1059617069 /nfs/dbraw/zinc/61/70/69/1059617069.db2.gz NYBLPEOIOWQZFI-HNNXBMFYSA-N 0 3 312.417 2.378 20 30 DEEDHN COCC#CCN1CCC2(CN(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001501732218 1059673906 /nfs/dbraw/zinc/67/39/06/1059673906.db2.gz YNVVGQPRIDUJIV-FPLPWBNLSA-N 0 3 318.461 2.163 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCCOC(C)C)C2)CC1 ZINC001501749097 1059684886 /nfs/dbraw/zinc/68/48/86/1059684886.db2.gz NGUSHJLLODUPDY-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN CC[C@H](OC)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001501924150 1059779897 /nfs/dbraw/zinc/77/98/97/1059779897.db2.gz ZTBWIIKNJVHIEM-AWEZNQCLSA-N 0 3 321.446 2.173 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)Cc2ccc(OC)cc2)CCC1 ZINC001502029426 1059885554 /nfs/dbraw/zinc/88/55/54/1059885554.db2.gz XPYORHCZHDWXOY-HNNXBMFYSA-N 0 3 314.429 2.136 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CCC2CCCCCC2)CCO1 ZINC001502064304 1059906782 /nfs/dbraw/zinc/90/67/82/1059906782.db2.gz IGUNGDFDUUYSKM-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](CC)CC2CCCC2)CCO1 ZINC001502079117 1059913063 /nfs/dbraw/zinc/91/30/63/1059913063.db2.gz KPDWQPFFGJDOSN-QZTJIDSGSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)CCC(C)(C)C)CCO1 ZINC001502088140 1059920499 /nfs/dbraw/zinc/92/04/99/1059920499.db2.gz WYBVFDPGLSWHQB-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cc(C)c(CC)s2)CCO1 ZINC001502090557 1059922615 /nfs/dbraw/zinc/92/26/15/1059922615.db2.gz WMCOJEJYLGDYRT-AWEZNQCLSA-N 0 3 320.458 2.073 20 30 DEEDHN Cc1nsc(C)c1CN1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001502113774 1059949547 /nfs/dbraw/zinc/94/95/47/1059949547.db2.gz SJGKHLOQFTUXAW-FZMZJTMJSA-N 0 3 320.462 2.390 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)CC1 ZINC001502127707 1059968418 /nfs/dbraw/zinc/96/84/18/1059968418.db2.gz SJAHHJQZJQDDGM-CJNGLKHVSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC001469596029 1059974136 /nfs/dbraw/zinc/97/41/36/1059974136.db2.gz SWLZVXOKTPUDPJ-OAGGEKHMSA-N 0 3 323.481 2.080 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001502143338 1059989433 /nfs/dbraw/zinc/98/94/33/1059989433.db2.gz QRFLVBBZCHJEAY-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C2(CCOC)CCC2)CC1 ZINC001502145067 1059992501 /nfs/dbraw/zinc/99/25/01/1059992501.db2.gz 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C[C@H](CCNCc1ccc(F)cn1)NC(=O)C#CC(C)(C)C ZINC001497185267 1065948160 /nfs/dbraw/zinc/94/81/60/1065948160.db2.gz FEQWLTBWYAHPEH-CYBMUJFWSA-N 0 3 305.397 2.255 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001570172811 1065949261 /nfs/dbraw/zinc/94/92/61/1065949261.db2.gz GNUNRLVDUCDZRZ-OAHLLOKOSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001570292453 1066006613 /nfs/dbraw/zinc/00/66/13/1066006613.db2.gz GXLVUJBIVLGABS-WMZOPIPTSA-N 0 3 308.466 2.169 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C(C)(C)C1 ZINC001570399863 1066052114 /nfs/dbraw/zinc/05/21/14/1066052114.db2.gz MHZJWGDGJDGTJF-NWDGAFQWSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC2(CC1)CN(C(C)C)CCO2 ZINC001570481309 1066089440 /nfs/dbraw/zinc/08/94/40/1066089440.db2.gz SQHYNGMOXZYRDR-MRXNPFEDSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC2(CC1)CN(C(C)C)CCO2 ZINC001570481308 1066091207 /nfs/dbraw/zinc/09/12/07/1066091207.db2.gz 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CC#CCCCC(=O)N1CC[C@H](NCc2nccn2C)C[C@@H]1C ZINC001499842968 1067357769 /nfs/dbraw/zinc/35/77/69/1067357769.db2.gz DLRGYECWFYAONT-HOTGVXAUSA-N 0 3 316.449 2.083 20 30 DEEDHN CC#CCN(C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC001483406010 1078514101 /nfs/dbraw/zinc/51/41/01/1078514101.db2.gz PAGODQKUHZTIMX-WMZOPIPTSA-N 0 3 315.461 2.139 20 30 DEEDHN Cc1nc(NC(=O)[C@@H](N)CCCCC#N)nc2c1CCCC2 ZINC001579864180 1067441329 /nfs/dbraw/zinc/44/13/29/1067441329.db2.gz KHKSMYLOUVVBAE-ZDUSSCGKSA-N 0 3 301.394 2.014 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(OCC(F)F)n1 ZINC001580050935 1067483179 /nfs/dbraw/zinc/48/31/79/1067483179.db2.gz SBCMSIVOKCYBBA-JTQLQIEISA-N 0 3 312.320 2.075 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001580242881 1067536551 /nfs/dbraw/zinc/53/65/51/1067536551.db2.gz WUAYMIJQYHAMHR-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001483456908 1078544957 /nfs/dbraw/zinc/54/49/57/1078544957.db2.gz 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Cc1ccccc1OCCN(C)CCNC(=O)C#CC(C)C ZINC001267195248 1078657644 /nfs/dbraw/zinc/65/76/44/1078657644.db2.gz SRQLPKZVBQRKDX-UHFFFAOYSA-N 0 3 302.418 2.081 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001570961062 1068166431 /nfs/dbraw/zinc/16/64/31/1068166431.db2.gz FOXMLRQLWBLZFE-LDLYASANSA-N 0 3 310.441 2.163 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001571153247 1068187891 /nfs/dbraw/zinc/18/78/91/1068187891.db2.gz YLWVPNZVICUTPV-JOCQHMNTSA-N 0 3 308.451 2.187 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001670754919 1078668920 /nfs/dbraw/zinc/66/89/20/1078668920.db2.gz DWWSMSLBFOTMMC-CYBMUJFWSA-N 0 3 306.381 2.328 20 30 DEEDHN C=CCNC(=O)[C@H](C)N(C)C1CCN(C(=O)CCCCC)CC1 ZINC001571328324 1068224983 /nfs/dbraw/zinc/22/49/83/1068224983.db2.gz PQVYZPNAULEFIF-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001571390527 1068271192 /nfs/dbraw/zinc/27/11/92/1068271192.db2.gz 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DEEDHN C=C(C)CN(CCNC(=O)c1cn(C)nc1C(F)F)C1CC1 ZINC001267327677 1078768573 /nfs/dbraw/zinc/76/85/73/1078768573.db2.gz WJXIXITWEQNANQ-UHFFFAOYSA-N 0 3 312.364 2.128 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCc1nc(C(C)C)no1 ZINC001483670314 1078769107 /nfs/dbraw/zinc/76/91/07/1078769107.db2.gz NZPJUFDCENQYFT-AWEZNQCLSA-N 0 3 320.437 2.282 20 30 DEEDHN Cc1[nH]ccc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267360534 1078792718 /nfs/dbraw/zinc/79/27/18/1078792718.db2.gz JKPNQRIUDMJKHV-UHFFFAOYSA-N 0 3 302.403 2.118 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)[C@@]1(C)CCOC1)c1ccccc1 ZINC001267376816 1078807322 /nfs/dbraw/zinc/80/73/22/1078807322.db2.gz JNALBHXMYZGITF-WMZOPIPTSA-N 0 3 302.418 2.436 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)Cn1ccnc1C)c1ccccc1 ZINC001267382114 1078815690 /nfs/dbraw/zinc/81/56/90/1078815690.db2.gz MAGWCFDIOZTQOP-KRWDZBQOSA-N 0 3 312.417 2.215 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cc(N(C)C)ccn1)c1ccccc1 ZINC001267382028 1078815858 /nfs/dbraw/zinc/81/58/58/1078815858.db2.gz KYKPGNZVIHDVQU-GOSISDBHSA-N 0 3 324.428 2.394 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1C[C@@H](C)CO1)c1ccccc1 ZINC001518427292 1069004726 /nfs/dbraw/zinc/00/47/26/1069004726.db2.gz RDIFVXQWGRUPRT-DMRZNYOFSA-N 0 3 314.385 2.388 20 30 DEEDHN CO[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001518477426 1069005363 /nfs/dbraw/zinc/00/53/63/1069005363.db2.gz TWWFWJUOPRYXAS-BZUAXINKSA-N 0 3 314.385 2.135 20 30 DEEDHN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@]1(F)CCNC1 ZINC001573801572 1069107301 /nfs/dbraw/zinc/10/73/01/1069107301.db2.gz ZLPHUSRPFZCMAD-CQSZACIVSA-N 0 3 312.728 2.217 20 30 DEEDHN COCC[C@@H](N)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC001573974002 1069138583 /nfs/dbraw/zinc/13/85/83/1069138583.db2.gz DKNDJUURBSWHDR-CABCVRRESA-N 0 3 303.406 2.029 20 30 DEEDHN C=CCn1c(N2CCN([C@@H](C)CC)CC2)nnc1C(C)(C)C#N ZINC001520596010 1069158583 /nfs/dbraw/zinc/15/85/83/1069158583.db2.gz IOVSASABLNLRAF-AWEZNQCLSA-N 0 3 316.453 2.186 20 30 DEEDHN C=CCOCc1nnc(N2CCN(C(C)(C)CC)CC2)n1CC ZINC001520932909 1069190894 /nfs/dbraw/zinc/19/08/94/1069190894.db2.gz RPCOOHQPZIXVQF-UHFFFAOYSA-N 0 3 321.469 2.311 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001574485941 1069229516 /nfs/dbraw/zinc/22/95/16/1069229516.db2.gz ILQKEYQWVOCYSH-HOCLYGCPSA-N 0 3 301.390 2.271 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC001521425165 1069240577 /nfs/dbraw/zinc/24/05/77/1069240577.db2.gz SWGNJCRUOXCHKH-KRWDZBQOSA-N 0 3 301.434 2.327 20 30 DEEDHN C#Cc1ccc(CNC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC001574757496 1069256884 /nfs/dbraw/zinc/25/68/84/1069256884.db2.gz RLESPEHBMQMEMR-UHFFFAOYSA-N 0 3 306.365 2.080 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](COC)c1ccc(F)cc1 ZINC001574852267 1069277653 /nfs/dbraw/zinc/27/76/53/1069277653.db2.gz RCYFPUDAYNBROK-CHWSQXEVSA-N 0 3 300.761 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001574852337 1069278210 /nfs/dbraw/zinc/27/82/10/1069278210.db2.gz ROVYSLDHBBUGCU-GFCCVEGCSA-N 0 3 316.829 2.037 20 30 DEEDHN CN(CCNC(=O)CC#Cc1ccccc1)C[C@H]1CCCCO1 ZINC001480949083 1078888660 /nfs/dbraw/zinc/88/86/60/1078888660.db2.gz CRUBNFZJCMYDFW-GOSISDBHSA-N 0 3 314.429 2.045 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2ccc(OC)c(F)c2)CC1 ZINC001483730779 1078897582 /nfs/dbraw/zinc/89/75/82/1078897582.db2.gz XSLWBAGZIRWFRK-UHFFFAOYSA-N 0 3 318.392 2.376 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2csc(C)n2)C1 ZINC001267496529 1078921714 /nfs/dbraw/zinc/92/17/14/1078921714.db2.gz VKFKDRHNDUMUKQ-MRXNPFEDSA-N 0 3 319.474 2.330 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](O)CN[C@H](C)c1ccccc1F ZINC001272504991 1078934567 /nfs/dbraw/zinc/93/45/67/1078934567.db2.gz SDBSTEURJIXYQN-CABCVRRESA-N 0 3 320.408 2.147 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ocnc2-c2ccccc2)CC1 ZINC001483740031 1078973117 /nfs/dbraw/zinc/97/31/17/1078973117.db2.gz RQZURIGSCMLQTC-UHFFFAOYSA-N 0 3 309.369 2.217 20 30 DEEDHN Cc1nc(C)c(CNCC(C)(C)CN(C)C(=O)C#CC2CC2)o1 ZINC001329293478 1148881884 /nfs/dbraw/zinc/88/18/84/1148881884.db2.gz UIIJCQZZHQHPHM-UHFFFAOYSA-N 0 3 317.433 2.279 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 ZINC001483796164 1079121575 /nfs/dbraw/zinc/12/15/75/1079121575.db2.gz QQFIABSWHUULCJ-CYBMUJFWSA-N 0 3 304.821 2.390 20 30 DEEDHN CC(=NO)[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C)C1(C)C ZINC001550416200 1073642703 /nfs/dbraw/zinc/64/27/03/1073642703.db2.gz UGEXIIQLSOBMLL-XGUBFFRZSA-N 0 3 307.438 2.194 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](CNC(=O)C#CC3CC3)C2)c(C)n1 ZINC001481088550 1079170856 /nfs/dbraw/zinc/17/08/56/1079170856.db2.gz YYEDNPIZSWSBGB-KRWDZBQOSA-N 0 3 311.429 2.050 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481091163 1079172645 /nfs/dbraw/zinc/17/26/45/1079172645.db2.gz KRTLJQCKCKOMKT-GOSISDBHSA-N 0 3 309.413 2.300 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC001481097189 1079179926 /nfs/dbraw/zinc/17/99/26/1079179926.db2.gz XZUUDGNJYIBNNG-CHWSQXEVSA-N 0 3 322.371 2.094 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001483944084 1079200877 /nfs/dbraw/zinc/20/08/77/1079200877.db2.gz OEXSJFJUKVVPBN-LSDHHAIUSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](CC)Oc2ccccc2F)C1 ZINC001481119667 1079214220 /nfs/dbraw/zinc/21/42/20/1079214220.db2.gz ZCTCLCFFAHZGFD-GDBMZVCRSA-N 0 3 318.392 2.054 20 30 DEEDHN CC1(NC(=O)C#CC2CC2)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001483966834 1079217911 /nfs/dbraw/zinc/21/79/11/1079217911.db2.gz CKIGDSVYHMGDLY-UHFFFAOYSA-N 0 3 321.424 2.442 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001481125265 1079222809 /nfs/dbraw/zinc/22/28/09/1079222809.db2.gz BTVNEYSBXIZFMU-IRXDYDNUSA-N 0 3 302.393 2.029 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cc(CC)ccn2)C1 ZINC001484045780 1079264586 /nfs/dbraw/zinc/26/45/86/1079264586.db2.gz XAYRTXREESBNML-SFHVURJKSA-N 0 3 317.433 2.041 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(CCc2ccnn2C)C1 ZINC001484045306 1079265694 /nfs/dbraw/zinc/26/56/94/1079265694.db2.gz PTMDPWSLILVVOG-SFHVURJKSA-N 0 3 318.465 2.146 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(Cc1ccc(CF)cc1)C1CC1 ZINC001481162799 1079276933 /nfs/dbraw/zinc/27/69/33/1079276933.db2.gz OKVINFQSFQAUDJ-ZDUSSCGKSA-N 0 3 303.381 2.396 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC001484130314 1079316148 /nfs/dbraw/zinc/31/61/48/1079316148.db2.gz FQERIAIQLJICRH-KRWDZBQOSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC001484145955 1079322755 /nfs/dbraw/zinc/32/27/55/1079322755.db2.gz MKRNDJBMEOTZBW-MRXNPFEDSA-N 0 3 314.429 2.305 20 30 DEEDHN CCC[C@@H]1CN(c2cccc(CC#N)n2)CCN1CCOC ZINC001647144305 1074815025 /nfs/dbraw/zinc/81/50/25/1074815025.db2.gz CUZCTTOYZVWHTN-MRXNPFEDSA-N 0 3 302.422 2.085 20 30 DEEDHN Cc1cncc(CN(C)C[C@@H]2CCN(C(=O)C#CC(C)C)C2)c1 ZINC001267645801 1079334260 /nfs/dbraw/zinc/33/42/60/1079334260.db2.gz GIVZVRCRDMKPNR-KRWDZBQOSA-N 0 3 313.445 2.330 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001484172405 1079337417 /nfs/dbraw/zinc/33/74/17/1079337417.db2.gz HFNSVFIOSVLLDC-AEFFLSMTSA-N 0 3 316.449 2.076 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1nn(C)c2ccccc12 ZINC001556466790 1075031956 /nfs/dbraw/zinc/03/19/56/1075031956.db2.gz MYVWYMZSQHZWBF-UHFFFAOYSA-N 0 3 314.433 2.082 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001484194029 1079353835 /nfs/dbraw/zinc/35/38/35/1079353835.db2.gz SYSGRKLLTOLHRM-UONOGXRCSA-N 0 3 318.408 2.449 20 30 DEEDHN C=CCCc1ccc(S(=O)(=O)NCCN(CC)CC)cc1 ZINC001561068501 1075150594 /nfs/dbraw/zinc/15/05/94/1075150594.db2.gz ZBRMSZYHQSZZRZ-UHFFFAOYSA-N 0 3 310.463 2.425 20 30 DEEDHN C=C(C)CS(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001562010477 1075157640 /nfs/dbraw/zinc/15/76/40/1075157640.db2.gz HDQNGWWIQFVVHD-HUUCEWRRSA-N 0 3 300.468 2.087 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001484254939 1079367440 /nfs/dbraw/zinc/36/74/40/1079367440.db2.gz SFIUUKMPLISKMP-SFHVURJKSA-N 0 3 308.466 2.332 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1C[C@@H](NCc2c(C)noc2C)C1 ZINC001565840752 1075195100 /nfs/dbraw/zinc/19/51/00/1075195100.db2.gz IRFDJAYPXHGCII-IYBDPMFKSA-N 0 3 317.433 2.469 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ccn(C)n1 ZINC001565944016 1075209597 /nfs/dbraw/zinc/20/95/97/1075209597.db2.gz YLOJVDUZCPZNRB-DOMZBBRYSA-N 0 3 324.856 2.393 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCOC(C)C)C(C)(C)[C@@H]21 ZINC001565992707 1075213955 /nfs/dbraw/zinc/21/39/55/1075213955.db2.gz KWESUJFNOBCHDI-KBAYOESNSA-N 0 3 320.477 2.430 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)OCCCCCC)C[C@@H]2C1 ZINC001566044783 1075220657 /nfs/dbraw/zinc/22/06/57/1075220657.db2.gz NYTJMIYVMLTDHR-KSZLIROESA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001566101703 1075229686 /nfs/dbraw/zinc/22/96/86/1075229686.db2.gz ADZTUQCRLKTGHH-VYDXJSESSA-N 0 3 304.438 2.064 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccnc2[nH]cnc21 ZINC001566122208 1075231279 /nfs/dbraw/zinc/23/12/79/1075231279.db2.gz OGRLRACYYRKOJS-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](CC)Oc1ccccc1F ZINC001566508328 1075265412 /nfs/dbraw/zinc/26/54/12/1075265412.db2.gz AEPGVRAOCHGRRI-INIZCTEOSA-N 0 3 320.408 2.445 20 30 DEEDHN CC#CCN(CCCNC(=O)CC[C@H]1CC[C@H](C)O1)C1CC1 ZINC001566603791 1075295316 /nfs/dbraw/zinc/29/53/16/1075295316.db2.gz DCHYWWBZBLLHGJ-DOTOQJQBSA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC001566635139 1075302036 /nfs/dbraw/zinc/30/20/36/1075302036.db2.gz VRVBULXQMBEBGF-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2nonc2C)C1 ZINC001566634839 1075302246 /nfs/dbraw/zinc/30/22/46/1075302246.db2.gz JVEWHLYJFCKGHG-AWEZNQCLSA-N 0 3 306.410 2.319 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001566662534 1075308525 /nfs/dbraw/zinc/30/85/25/1075308525.db2.gz GQYLWQKJBJQNRY-IEBWSBKVSA-N 0 3 316.445 2.267 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC001566674975 1075314518 /nfs/dbraw/zinc/31/45/18/1075314518.db2.gz IKHUIZQCJPRBOF-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN C=CCCC(=O)NC[C@@H](NCc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC001566705687 1075322416 /nfs/dbraw/zinc/32/24/16/1075322416.db2.gz XQMJDRVTCLVPNV-CYBMUJFWSA-N 0 3 319.453 2.053 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001566805453 1075349289 /nfs/dbraw/zinc/34/92/89/1075349289.db2.gz MNQLVQCPGRDXGF-HDJSIYSDSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2oc(CC)nc2C)C1 ZINC001566835522 1075357325 /nfs/dbraw/zinc/35/73/25/1075357325.db2.gz ANGLVTYROQHWOW-GASCZTMLSA-N 0 3 317.433 2.476 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001566848350 1075361249 /nfs/dbraw/zinc/36/12/49/1075361249.db2.gz KGXATGXGZCGRFF-IYBDPMFKSA-N 0 3 314.433 2.106 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCCN(CCc2ccns2)C1 ZINC001566867842 1075366005 /nfs/dbraw/zinc/36/60/05/1075366005.db2.gz BVGRUSDYSNRTEI-HNNXBMFYSA-N 0 3 319.474 2.317 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCCC2CCOCC2)C1 ZINC001566873729 1075368757 /nfs/dbraw/zinc/36/87/57/1075368757.db2.gz MMEXSJZDEHHLMA-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001566918750 1075385144 /nfs/dbraw/zinc/38/51/44/1075385144.db2.gz XAGWPVDSHNLNHD-QGZVFWFLSA-N 0 3 317.433 2.177 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001566918749 1075385536 /nfs/dbraw/zinc/38/55/36/1075385536.db2.gz XAGWPVDSHNLNHD-KRWDZBQOSA-N 0 3 317.433 2.177 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CSCC#N ZINC001566954720 1075398266 /nfs/dbraw/zinc/39/82/66/1075398266.db2.gz BTFOTAXUUIQWOJ-CVEARBPZSA-N 0 3 319.474 2.112 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001566966785 1075402925 /nfs/dbraw/zinc/40/29/25/1075402925.db2.gz ZEPVLBWUPYQHMW-SJORKVTESA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001566966782 1075402973 /nfs/dbraw/zinc/40/29/73/1075402973.db2.gz ZEPVLBWUPYQHMW-DLBZAZTESA-N 0 3 306.450 2.209 20 30 DEEDHN N#Cc1cc(Cl)ccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001650083239 1079402009 /nfs/dbraw/zinc/40/20/09/1079402009.db2.gz NAHODKRXHRWCBU-CVEARBPZSA-N 0 3 305.809 2.247 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)N1CCCCCC1 ZINC001567020594 1075418561 /nfs/dbraw/zinc/41/85/61/1075418561.db2.gz WEMIUKICFHRRLB-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cccc3[nH]ncc32)C1 ZINC001567196123 1075460339 /nfs/dbraw/zinc/46/03/39/1075460339.db2.gz HHMJLTMGDGOLQL-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](OCC)C2CCCC2)C1 ZINC001567195977 1075460549 /nfs/dbraw/zinc/46/05/49/1075460549.db2.gz GDPDTNPTSIIKAP-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C[C@H](NCCN(C)C(=O)c1cc(C#N)c[nH]1)c1ccccc1F ZINC001481217387 1079418807 /nfs/dbraw/zinc/41/88/07/1079418807.db2.gz AQCLGXFQQLQUSJ-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC001650156283 1079425870 /nfs/dbraw/zinc/42/58/70/1079425870.db2.gz BCKTYJWQOSSENJ-ZIAGYGMSSA-N 0 3 323.824 2.147 20 30 DEEDHN Cc1ccc(F)cc1CNCCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001481218212 1079421436 /nfs/dbraw/zinc/42/14/36/1079421436.db2.gz NGGPKBUPDAHMHN-UHFFFAOYSA-N 0 3 314.364 2.196 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)[C@H](CC)SC)C1 ZINC001672481627 1079481169 /nfs/dbraw/zinc/48/11/69/1079481169.db2.gz HEUPSNOFGRJAEB-HOCLYGCPSA-N 0 3 314.495 2.037 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267772913 1079481607 /nfs/dbraw/zinc/48/16/07/1079481607.db2.gz XXYRVYRIJDLWRC-ARFHVFGLSA-N 0 3 318.417 2.118 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CC)CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001582508766 1076156544 /nfs/dbraw/zinc/15/65/44/1076156544.db2.gz WVXBRSUNBNVYQW-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001582790074 1076184678 /nfs/dbraw/zinc/18/46/78/1076184678.db2.gz KFYJQKANSAHWTN-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001584176004 1076290817 /nfs/dbraw/zinc/29/08/17/1076290817.db2.gz JLPTVRJDQZRFFX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@](C)(NC(=O)CN(C)C(C)C)C1 ZINC001585870470 1076375264 /nfs/dbraw/zinc/37/52/64/1076375264.db2.gz MIJBCEGADHRRMV-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588404539 1076446686 /nfs/dbraw/zinc/44/66/86/1076446686.db2.gz IGFJOWOPTJREIY-CABCVRRESA-N 0 3 301.394 2.235 20 30 DEEDHN C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588404539 1076446687 /nfs/dbraw/zinc/44/66/87/1076446687.db2.gz IGFJOWOPTJREIY-CABCVRRESA-N 0 3 301.394 2.235 20 30 DEEDHN C=C(CC)C[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588441196 1076448830 /nfs/dbraw/zinc/44/88/30/1076448830.db2.gz BLFOCYPRBPUXTN-UHFFFAOYSA-N 0 3 312.421 2.391 20 30 DEEDHN C=CC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588559567 1076455584 /nfs/dbraw/zinc/45/55/84/1076455584.db2.gz KHFROKBGXWISDM-XJKSGUPXSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588559567 1076455587 /nfs/dbraw/zinc/45/55/87/1076455587.db2.gz KHFROKBGXWISDM-XJKSGUPXSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559567 1076455591 /nfs/dbraw/zinc/45/55/91/1076455591.db2.gz KHFROKBGXWISDM-XJKSGUPXSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559567 1076455593 /nfs/dbraw/zinc/45/55/93/1076455593.db2.gz KHFROKBGXWISDM-XJKSGUPXSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[N@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001588627908 1076458831 /nfs/dbraw/zinc/45/88/31/1076458831.db2.gz LUXCLTOMPKTKBV-CQSZACIVSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CC[N@@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001588627908 1076458833 /nfs/dbraw/zinc/45/88/33/1076458833.db2.gz LUXCLTOMPKTKBV-CQSZACIVSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CC[N@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588627908 1076458836 /nfs/dbraw/zinc/45/88/36/1076458836.db2.gz LUXCLTOMPKTKBV-CQSZACIVSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CC[N@@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588627908 1076458837 /nfs/dbraw/zinc/45/88/37/1076458837.db2.gz LUXCLTOMPKTKBV-CQSZACIVSA-N 0 3 301.394 2.187 20 30 DEEDHN C[N@H+](CCNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCC1 ZINC001591103623 1076707995 /nfs/dbraw/zinc/70/79/95/1076707995.db2.gz DUSXUUYSRMSHQQ-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN C[N@@H+](CCNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCC1 ZINC001591103623 1076707998 /nfs/dbraw/zinc/70/79/98/1076707998.db2.gz DUSXUUYSRMSHQQ-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN C[N@H+](CCNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCC1 ZINC001591103623 1076708001 /nfs/dbraw/zinc/70/80/01/1076708001.db2.gz DUSXUUYSRMSHQQ-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN C[N@@H+](CCNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCC1 ZINC001591103623 1076708005 /nfs/dbraw/zinc/70/80/05/1076708005.db2.gz DUSXUUYSRMSHQQ-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001329459353 1148897330 /nfs/dbraw/zinc/89/73/30/1148897330.db2.gz JHILUUXONRBANU-WBVHZDCISA-N 0 3 301.434 2.278 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)(C)C)NCc1scnc1C ZINC001267803791 1079506248 /nfs/dbraw/zinc/50/62/48/1079506248.db2.gz VYIBJMQLUNECDH-ZDUSSCGKSA-N 0 3 307.463 2.485 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2n[nH]c(C)n2)CCCC1 ZINC001267829854 1079520238 /nfs/dbraw/zinc/52/02/38/1079520238.db2.gz FAGPYZOTNHHIQB-AWEZNQCLSA-N 0 3 319.453 2.234 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@](C)(CNCCF)C2CC2)cc1 ZINC001267861125 1079547830 /nfs/dbraw/zinc/54/78/30/1079547830.db2.gz XMYLDYOVSJCUBU-GOSISDBHSA-N 0 3 318.392 2.156 20 30 DEEDHN C[C@H]1c2ccsc2CCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001650358130 1079557543 /nfs/dbraw/zinc/55/75/43/1079557543.db2.gz KLLOQMICJQGDOB-IRSUPMPHSA-N 0 3 315.442 2.333 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)C1(CF)CCC1 ZINC001481281372 1079613518 /nfs/dbraw/zinc/61/35/18/1079613518.db2.gz LUEANZDVQGAWCM-UHFFFAOYSA-N 0 3 321.371 2.385 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ncc(Cl)s2)cc1 ZINC001267936222 1079617569 /nfs/dbraw/zinc/61/75/69/1079617569.db2.gz AJLIMIUBMZSSFF-UHFFFAOYSA-N 0 3 319.817 2.449 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2conc2C2CC2)cc1 ZINC001267938655 1079619769 /nfs/dbraw/zinc/61/97/69/1079619769.db2.gz FDEBPERKFYDIPH-UHFFFAOYSA-N 0 3 309.369 2.205 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CO[C@@H](C)CC)C1 ZINC001484515643 1079638338 /nfs/dbraw/zinc/63/83/38/1079638338.db2.gz IOEFMKCNOUHVJP-KBPBESRZSA-N 0 3 302.846 2.382 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cc[nH]c(=O)c1 ZINC001484555721 1079661311 /nfs/dbraw/zinc/66/13/11/1079661311.db2.gz VXUILPZBQQOHNW-UHFFFAOYSA-N 0 3 323.396 2.172 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCCC[C@@H]2CNC[C@@H](F)CC)c1 ZINC001484618552 1079690159 /nfs/dbraw/zinc/69/01/59/1079690159.db2.gz VBXUMGATWVNOCS-DLBZAZTESA-N 0 3 317.408 2.395 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CCCC[C@@H](C)CC)CCO1 ZINC001484678824 1079722986 /nfs/dbraw/zinc/72/29/86/1079722986.db2.gz QXIBKLQQEITSSU-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)CC2CCCC2)CC1 ZINC001484704409 1079730424 /nfs/dbraw/zinc/73/04/24/1079730424.db2.gz OYZKHKCATZQCQU-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCOCC(=O)N(CCC)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001481398719 1079784604 /nfs/dbraw/zinc/78/46/04/1079784604.db2.gz XSECCSQGFBBZOO-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCc2nccs2)C1 ZINC001481412391 1079802589 /nfs/dbraw/zinc/80/25/89/1079802589.db2.gz VOINHYQTUISDRD-HNNXBMFYSA-N 0 3 319.474 2.412 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CSC)C2 ZINC001484824055 1079816611 /nfs/dbraw/zinc/81/66/11/1079816611.db2.gz KBUZVPCVEZBFPN-NVXWUHKLSA-N 0 3 308.491 2.323 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC2(OC)CCC2)C(C)(C)C1 ZINC001484935498 1079868784 /nfs/dbraw/zinc/86/87/84/1079868784.db2.gz VEMONYOIUPGJGF-OAHLLOKOSA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)[C@H]2CC23CCCC3)C1 ZINC001481456484 1079886553 /nfs/dbraw/zinc/88/65/53/1079886553.db2.gz OXETZDIFSYBITE-DLBZAZTESA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2ccc(F)cc2)C[C@H]1C ZINC001484984535 1079898151 /nfs/dbraw/zinc/89/81/51/1079898151.db2.gz ZUEKQFVACFBEAV-RHSMWYFYSA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2cccc(F)c2F)C[C@H]1C ZINC001484987793 1079900237 /nfs/dbraw/zinc/90/02/37/1079900237.db2.gz IGVPWMFHWAKMIO-UKRRQHHQSA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCCCC(=O)N1CCC2(CC1)CN(CC1CC1)CCO2 ZINC001485010155 1079917161 /nfs/dbraw/zinc/91/71/61/1079917161.db2.gz UEXFGVPBCVZRDC-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C(C)=C2CCC2)CC1 ZINC001481468272 1079921297 /nfs/dbraw/zinc/92/12/97/1079921297.db2.gz KQODSVSJFFUEAJ-UHFFFAOYSA-N 0 3 305.466 2.139 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001481472490 1079926212 /nfs/dbraw/zinc/92/62/12/1079926212.db2.gz PHBREUCWHQTUMA-HKUYNNGSSA-N 0 3 321.509 2.321 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001485044628 1079928607 /nfs/dbraw/zinc/92/86/07/1079928607.db2.gz VNJVUBGLZHHKHL-WHEVEAIOSA-N 0 3 308.425 2.428 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](CCC)OCC)CC2 ZINC001268046044 1079937918 /nfs/dbraw/zinc/93/79/18/1079937918.db2.gz QYGYYEPILXYPDI-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c2c(nn1C)CCCC2 ZINC001485058773 1079949060 /nfs/dbraw/zinc/94/90/60/1079949060.db2.gz VBEMHQZLQCTXAM-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CC(CNCc2cc(OC)no2)C1 ZINC001485099634 1079972528 /nfs/dbraw/zinc/97/25/28/1079972528.db2.gz BYWYMYWWIQXMQB-UHFFFAOYSA-N 0 3 321.421 2.270 20 30 DEEDHN CCCc1ccc(C(=O)N(C)[C@H](C)CNCC#CCOC)s1 ZINC001268063822 1080004147 /nfs/dbraw/zinc/00/41/47/1080004147.db2.gz DDVGTWFLQDBGNF-CQSZACIVSA-N 0 3 322.474 2.401 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001268064431 1080006364 /nfs/dbraw/zinc/00/63/64/1080006364.db2.gz GQOGVSDITHBPOK-STQMWFEESA-N 0 3 307.442 2.221 20 30 DEEDHN N#Cc1cccc(OCCCN2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001655799677 1080018189 /nfs/dbraw/zinc/01/81/89/1080018189.db2.gz JUAVLNTVHBMHRB-HOTGVXAUSA-N 0 3 303.381 2.055 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001485141884 1080025733 /nfs/dbraw/zinc/02/57/33/1080025733.db2.gz KHZNTWXWOTWKFX-HUUCEWRRSA-N 0 3 318.465 2.424 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccnc(OC)c1 ZINC001656077013 1080035166 /nfs/dbraw/zinc/03/51/66/1080035166.db2.gz GIDGFMDRAGVWCD-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001656132761 1080052377 /nfs/dbraw/zinc/05/23/77/1080052377.db2.gz ZLJOKBMEXCPDHZ-AKAXFMLLSA-N 0 3 318.367 2.363 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NCc3cnc(C)cn3)C2)C1 ZINC001656222208 1080068133 /nfs/dbraw/zinc/06/81/33/1080068133.db2.gz GTTDDCRAGMHQQP-SHTZXODSSA-N 0 3 314.433 2.126 20 30 DEEDHN O=C(Cc1ccco1)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001656229266 1080069173 /nfs/dbraw/zinc/06/91/73/1080069173.db2.gz ZBFHLFOKOGURDW-IYARVYRRSA-N 0 3 322.408 2.358 20 30 DEEDHN C=CCOCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)C)C1 ZINC001656244617 1080071902 /nfs/dbraw/zinc/07/19/02/1080071902.db2.gz HSSBQACXWWQLIE-ZWKOTPCHSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N(C)C)CCCC1 ZINC001268102335 1080073986 /nfs/dbraw/zinc/07/39/86/1080073986.db2.gz SPQARKIGIVMMJY-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cn(C)cn1 ZINC001656430669 1080089611 /nfs/dbraw/zinc/08/96/11/1080089611.db2.gz WNULMFFJKQZTJF-SWLSCSKDSA-N 0 3 324.856 2.393 20 30 DEEDHN CCCC(C)(C)C(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1 ZINC001656831002 1080127511 /nfs/dbraw/zinc/12/75/11/1080127511.db2.gz REMGVCCLDFAWAK-SJORKVTESA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC001656916409 1080138136 /nfs/dbraw/zinc/13/81/36/1080138136.db2.gz UYCIFNADEWJSKM-YPMHNXCESA-N 0 3 311.813 2.063 20 30 DEEDHN CC(C)(C)OC(=O)NC1(CCNCC2(C#N)CC2)CCOCC1 ZINC001659028635 1080227164 /nfs/dbraw/zinc/22/71/64/1080227164.db2.gz MRNMKHDQXNJGPB-UHFFFAOYSA-N 0 3 323.437 2.344 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)c1ccsc1 ZINC001485460541 1080229726 /nfs/dbraw/zinc/22/97/26/1080229726.db2.gz QYQZEUWRTNPYBX-HNNXBMFYSA-N 0 3 308.447 2.276 20 30 DEEDHN C=CCS(=O)(=O)CCNC1CC(c2cccc(OC)c2)C1 ZINC001659185837 1080233792 /nfs/dbraw/zinc/23/37/92/1080233792.db2.gz BQCFOIKYUMGCPQ-UHFFFAOYSA-N 0 3 309.431 2.132 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1cc(OC)no1 ZINC001268277501 1080255782 /nfs/dbraw/zinc/25/57/82/1080255782.db2.gz PJTGUKJSIDWBCO-ZFWWWQNUSA-N 0 3 321.421 2.414 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnc1 ZINC001481675620 1080286328 /nfs/dbraw/zinc/28/63/28/1080286328.db2.gz VYTFCXSFKNQLLX-IRXDYDNUSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001485538814 1080286576 /nfs/dbraw/zinc/28/65/76/1080286576.db2.gz HVDMARHRKQWHLM-MAUKXSAKSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001485535213 1080289277 /nfs/dbraw/zinc/28/92/77/1080289277.db2.gz LXQMLNKIEMAYGU-CVEARBPZSA-N 0 3 314.429 2.222 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)C(C)(C)C1 ZINC001485568571 1080301303 /nfs/dbraw/zinc/30/13/03/1080301303.db2.gz CUIHIPOLHQFUQW-HUUCEWRRSA-N 0 3 318.465 2.409 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001481689451 1080301785 /nfs/dbraw/zinc/30/17/85/1080301785.db2.gz GBRWICXXDSRZAT-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CC(F)(F)C(F)F)C(C)(C)C1 ZINC001485575339 1080318638 /nfs/dbraw/zinc/31/86/38/1080318638.db2.gz KILOFGGKZCHDPW-JTQLQIEISA-N 0 3 308.319 2.127 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCOC(C)C)CC1(C)C ZINC001485563842 1080306725 /nfs/dbraw/zinc/30/67/25/1080306725.db2.gz HSKNXWQHVKCUKU-MRXNPFEDSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=O)N(CC)CC ZINC001660431350 1080330105 /nfs/dbraw/zinc/33/01/05/1080330105.db2.gz ASHMPTGHCFRHMG-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C3(c4cccc(C)c4)CC3)[C@@H]2C1 ZINC001485626968 1080339775 /nfs/dbraw/zinc/33/97/75/1080339775.db2.gz CRQGNDNAOKFOCE-LDLYASANSA-N 0 3 322.452 2.344 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2[C@H]3CN(CC#CC)C[C@H]32)CCCC1 ZINC001485629134 1080341087 /nfs/dbraw/zinc/34/10/87/1080341087.db2.gz OXUDAPQVKUEHQG-OSYLJGHBSA-N 0 3 300.446 2.440 20 30 DEEDHN CCN(CCCNC(=O)[C@@H](C)C#N)Cc1cc(F)cc(F)c1 ZINC001660502532 1080346392 /nfs/dbraw/zinc/34/63/92/1080346392.db2.gz TZOHVFOILOFWPI-LBPRGKRZSA-N 0 3 309.360 2.453 20 30 DEEDHN C=C(Cl)CNC[C@H]1CC2(CO1)CCN(C(=O)C1CC1)CC2 ZINC001485669107 1080356312 /nfs/dbraw/zinc/35/63/12/1080356312.db2.gz BSNAGFVNVWCMBK-CQSZACIVSA-N 0 3 312.841 2.136 20 30 DEEDHN COCC#CCN(CCCNC(=O)c1c(C)coc1C)C1CC1 ZINC001660676171 1080379221 /nfs/dbraw/zinc/37/92/21/1080379221.db2.gz YJTTYWDGVWFMSO-UHFFFAOYSA-N 0 3 318.417 2.131 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc2ccccc2n1 ZINC001268374412 1080389985 /nfs/dbraw/zinc/38/99/85/1080389985.db2.gz VLXROBKLDVNQBE-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN CO[C@H](C)C(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001485713070 1080395969 /nfs/dbraw/zinc/39/59/69/1080395969.db2.gz YCBVPQDQAVTHSV-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN N#Cc1ccc(NCCNCc2cnn(-c3ccccc3)c2)nc1 ZINC001660867157 1080411141 /nfs/dbraw/zinc/41/11/41/1080411141.db2.gz HXYFRMLRNWHSJU-UHFFFAOYSA-N 0 3 318.384 2.341 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ncc(OC)cn2)C1 ZINC001661004142 1080426561 /nfs/dbraw/zinc/42/65/61/1080426561.db2.gz RPMCXKOJTQJROJ-CQSZACIVSA-N 0 3 320.437 2.260 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001661346142 1080472255 /nfs/dbraw/zinc/47/22/55/1080472255.db2.gz ODYWFLFXOIDWFK-INIZCTEOSA-N 0 3 302.393 2.317 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CC)C(=O)CN(C)C2CCC2)C1 ZINC001481767550 1080483924 /nfs/dbraw/zinc/48/39/24/1080483924.db2.gz GMYZZKRKEUIRMD-HNNXBMFYSA-N 0 3 313.873 2.146 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001661602155 1080498591 /nfs/dbraw/zinc/49/85/91/1080498591.db2.gz UMDQAGQXONTNIO-OKILXGFUSA-N 0 3 317.433 2.429 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001661717791 1080512189 /nfs/dbraw/zinc/51/21/89/1080512189.db2.gz CRWRVTTVNGBKBG-HNNXBMFYSA-N 0 3 302.443 2.490 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001661748341 1080518360 /nfs/dbraw/zinc/51/83/60/1080518360.db2.gz PJHUJFNSEHMIRG-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](OC)C1CCCC1 ZINC001661890672 1080541032 /nfs/dbraw/zinc/54/10/32/1080541032.db2.gz JDQYONNZKWJEBS-IRXDYDNUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3cnco3)CC2)C1=O ZINC001272742457 1080569975 /nfs/dbraw/zinc/56/99/75/1080569975.db2.gz MYWKJMSFJYELGK-KRWDZBQOSA-N 0 3 303.406 2.455 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCCOC2)CCCC1 ZINC001481892672 1080581046 /nfs/dbraw/zinc/58/10/46/1080581046.db2.gz TXWKTBKKYXBVFW-CYBMUJFWSA-N 0 3 300.830 2.184 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@]2(CNCCF)CCCC[C@H]2C)cn1 ZINC001481963143 1080648833 /nfs/dbraw/zinc/64/88/33/1080648833.db2.gz SVMGYAGSIXBXNL-RDTXWAMCSA-N 0 3 317.408 2.301 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNCc2ccc(F)cn2)C1 ZINC001481971896 1080660587 /nfs/dbraw/zinc/66/05/87/1080660587.db2.gz JIXYFPUBNLFVIW-KBPBESRZSA-N 0 3 318.396 2.099 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCCc2csc(C)n2)C1 ZINC001662838398 1080664906 /nfs/dbraw/zinc/66/49/06/1080664906.db2.gz AZDHZIIKBQKRJJ-INIZCTEOSA-N 0 3 319.474 2.330 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001662845416 1080665691 /nfs/dbraw/zinc/66/56/91/1080665691.db2.gz ORIPEDJUBQRVTE-LBPRGKRZSA-N 0 3 322.840 2.185 20 30 DEEDHN Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)sc1C ZINC001482012582 1080692295 /nfs/dbraw/zinc/69/22/95/1080692295.db2.gz KLRKTTIHNSBXDT-LERXQTSPSA-N 0 3 320.462 2.437 20 30 DEEDHN C=CCN(C)CCNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001663201223 1080717644 /nfs/dbraw/zinc/71/76/44/1080717644.db2.gz MEWWTSYQKCOTQV-RDJZCZTQSA-N 0 3 302.418 2.423 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc(Cl)ccc1F ZINC001663227323 1080722321 /nfs/dbraw/zinc/72/23/21/1080722321.db2.gz RTWLUHOFEAHZQC-UHFFFAOYSA-N 0 3 314.788 2.343 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001663634696 1080794774 /nfs/dbraw/zinc/79/47/74/1080794774.db2.gz XEJCCWRMPCLXKC-INIZCTEOSA-N 0 3 323.440 2.480 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001663638911 1080795656 /nfs/dbraw/zinc/79/56/56/1080795656.db2.gz KXZHHUMYCJWUNT-HZPDHXFCSA-N 0 3 314.429 2.260 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1ccc(OC)cc1C ZINC001663664325 1080800427 /nfs/dbraw/zinc/80/04/27/1080800427.db2.gz OAYMYENMPVRGHI-UHFFFAOYSA-N 0 3 316.445 2.398 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)CNCc2ccn(CC)n2)CC1 ZINC001482136876 1080853875 /nfs/dbraw/zinc/85/38/75/1080853875.db2.gz MFLRRDCOGGOJPU-OAHLLOKOSA-N 0 3 318.465 2.491 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001664116300 1080860834 /nfs/dbraw/zinc/86/08/34/1080860834.db2.gz SSYOLLLWFASYHL-UHFFFAOYSA-N 0 3 306.454 2.398 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCC(=O)N1CCCC[C@H]1C ZINC001664164898 1080868112 /nfs/dbraw/zinc/86/81/12/1080868112.db2.gz IDNIOZMBRIPCCD-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001268629586 1080904333 /nfs/dbraw/zinc/90/43/33/1080904333.db2.gz XLGRKBJGOPSLJW-LXXRFIIISA-N 0 3 300.402 2.084 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC001268634661 1080907663 /nfs/dbraw/zinc/90/76/63/1080907663.db2.gz UKEYMUSKDXLPGQ-ONEGZZNKSA-N 0 3 300.377 2.215 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](C)CNCc1cnn(-c2ccccc2)c1 ZINC001268644547 1080913949 /nfs/dbraw/zinc/91/39/49/1080913949.db2.gz GEZWUTHEYDKFII-MRXNPFEDSA-N 0 3 324.428 2.126 20 30 DEEDHN CCc1nocc1CN(CCCNC(=O)[C@@H](C)C#N)C(C)C ZINC001664492565 1080916929 /nfs/dbraw/zinc/91/69/29/1080916929.db2.gz VEPFVSZLQZLWMT-ZDUSSCGKSA-N 0 3 306.410 2.113 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001268658471 1080920749 /nfs/dbraw/zinc/92/07/49/1080920749.db2.gz WOADBDVUWDRDGT-CQSZACIVSA-N 0 3 315.392 2.485 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001268688604 1080935984 /nfs/dbraw/zinc/93/59/84/1080935984.db2.gz JNCXYRVGFGKTFA-UONOGXRCSA-N 0 3 314.385 2.065 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CCC)[C@H]1CCN(CC=C(C)C)C1 ZINC001664667283 1080939579 /nfs/dbraw/zinc/93/95/79/1080939579.db2.gz HFOAOOCRUXWJMT-IRXDYDNUSA-N 0 3 306.450 2.304 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H](C)C(C)(F)F ZINC001268704608 1080943165 /nfs/dbraw/zinc/94/31/65/1080943165.db2.gz KGSLGUYPCJTTEE-KBPBESRZSA-N 0 3 308.372 2.424 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)Cc1ccc2ccccc2c1 ZINC001268714710 1080947909 /nfs/dbraw/zinc/94/79/09/1080947909.db2.gz NMUBGQIATBLRDW-INIZCTEOSA-N 0 3 324.424 2.126 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001664721384 1080947965 /nfs/dbraw/zinc/94/79/65/1080947965.db2.gz AUIAYNTWQSQQOJ-SJORKVTESA-N 0 3 318.461 2.045 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001268729507 1080954359 /nfs/dbraw/zinc/95/43/59/1080954359.db2.gz NUDHOALFMKLQNK-RDTXWAMCSA-N 0 3 322.424 2.398 20 30 DEEDHN Cc1oncc1CN(C)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001664807511 1080964900 /nfs/dbraw/zinc/96/49/00/1080964900.db2.gz ZWKXVRLVZZFUOK-OAHLLOKOSA-N 0 3 317.433 2.313 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cncc(C(F)(F)F)c1 ZINC001268753099 1080969776 /nfs/dbraw/zinc/96/97/76/1080969776.db2.gz OMEFZGSCGGOSAR-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CN(C)CCCCCC)C1 ZINC001665078300 1080989351 /nfs/dbraw/zinc/98/93/51/1080989351.db2.gz WABFHXKUWZYDEP-KRWDZBQOSA-N 0 3 307.482 2.102 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001665328159 1081013956 /nfs/dbraw/zinc/01/39/56/1081013956.db2.gz CJCDSFZNOVAVCC-YJBOKZPZSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1CC ZINC001665401168 1081024208 /nfs/dbraw/zinc/02/42/08/1081024208.db2.gz VFPLSUGVKQJWEL-RDBSUJKOSA-N 0 3 302.422 2.226 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001665405368 1081024518 /nfs/dbraw/zinc/02/45/18/1081024518.db2.gz CQITWIPLAZWLNH-XYJFISCASA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001665494758 1081033797 /nfs/dbraw/zinc/03/37/97/1081033797.db2.gz XEGKERUERBSCFE-KSZLIROESA-N 0 3 314.429 2.183 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2ccc(OC)c(C)c2)C1 ZINC001665549581 1081039350 /nfs/dbraw/zinc/03/93/50/1081039350.db2.gz BXUPIAPABSVMFY-OAHLLOKOSA-N 0 3 318.417 2.149 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001665681703 1081062534 /nfs/dbraw/zinc/06/25/34/1081062534.db2.gz LTJQROPQICDPJD-SJORKVTESA-N 0 3 314.429 2.318 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCCOc2ccccc2)C1 ZINC001665681680 1081063527 /nfs/dbraw/zinc/06/35/27/1081063527.db2.gz LKSQAJGYZUTOFH-KRWDZBQOSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCOC1 ZINC001268974342 1081070022 /nfs/dbraw/zinc/07/00/22/1081070022.db2.gz RHYHTZIOKPKQBB-XYJFISCASA-N 0 3 306.450 2.445 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001665760165 1081077837 /nfs/dbraw/zinc/07/78/37/1081077837.db2.gz NBRZHUSVYCZQJP-YOEHRIQHSA-N 0 3 320.408 2.087 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](CC)NCc2cncs2)cc1 ZINC001665829691 1081087504 /nfs/dbraw/zinc/08/75/04/1081087504.db2.gz ZPZQWNZMRASUFU-HNNXBMFYSA-N 0 3 313.426 2.423 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)N[C@H]1CCN(C(C)C)C1=O ZINC001665855752 1081090697 /nfs/dbraw/zinc/09/06/97/1081090697.db2.gz CXUJZYOUTSWYTM-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001269052038 1081098823 /nfs/dbraw/zinc/09/88/23/1081098823.db2.gz QMCWMRWGGAHYDD-DLBZAZTESA-N 0 3 306.450 2.330 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001269159719 1081144734 /nfs/dbraw/zinc/14/47/34/1081144734.db2.gz SSFIFQODQZSITH-NVXWUHKLSA-N 0 3 318.465 2.238 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C(C)C)on2)cc1 ZINC001666341333 1081145868 /nfs/dbraw/zinc/14/58/68/1081145868.db2.gz SXNZWQKQFGPBRC-UHFFFAOYSA-N 0 3 311.385 2.451 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001269266510 1081190139 /nfs/dbraw/zinc/19/01/39/1081190139.db2.gz DHCKQNDZSOGLFN-SWLSCSKDSA-N 0 3 304.438 2.196 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001269269100 1081191363 /nfs/dbraw/zinc/19/13/63/1081191363.db2.gz SJGSPNJGIRFKMF-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001666907890 1081192794 /nfs/dbraw/zinc/19/27/94/1081192794.db2.gz LVNBBKVDFHDISL-ZDUSSCGKSA-N 0 3 321.469 2.467 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)nn2C)CCCC1 ZINC001482212233 1081201606 /nfs/dbraw/zinc/20/16/06/1081201606.db2.gz TYVCIAWVSJWRPO-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)COc1cccc(OC)c1 ZINC001269311835 1081207779 /nfs/dbraw/zinc/20/77/79/1081207779.db2.gz WJUIYXSCDOAPBA-OAHLLOKOSA-N 0 3 318.417 2.231 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2cnns2)[C@H](C)C1 ZINC001667169643 1081219338 /nfs/dbraw/zinc/21/93/38/1081219338.db2.gz NQCICKHHDQFKEC-UKRRQHHQSA-N 0 3 320.462 2.058 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2c(C)noc2Cl)C1 ZINC001269347772 1081222776 /nfs/dbraw/zinc/22/27/76/1081222776.db2.gz BRMFCDOVIJNNOQ-ZDUSSCGKSA-N 0 3 323.824 2.125 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1csc(CC)n1 ZINC001269352261 1081224356 /nfs/dbraw/zinc/22/43/56/1081224356.db2.gz TYDQULYOOWWNRF-AWEZNQCLSA-N 0 3 307.463 2.405 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)C(C)=C1CCCC1 ZINC001269389928 1081235295 /nfs/dbraw/zinc/23/52/95/1081235295.db2.gz CWZINUDCBILFME-GDBMZVCRSA-N 0 3 321.465 2.052 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1cc(F)cc(F)c1 ZINC001269402478 1081239938 /nfs/dbraw/zinc/23/99/38/1081239938.db2.gz MHBPULXDTTYGAG-INIZCTEOSA-N 0 3 306.356 2.363 20 30 DEEDHN CC#CCNC1(CNC(=O)c2coc3c2cccc3OC)CC1 ZINC001269416548 1081244802 /nfs/dbraw/zinc/24/48/02/1081244802.db2.gz YBQCBXNAARJRPG-UHFFFAOYSA-N 0 3 312.369 2.317 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1c(C)nnn1CC)C(C)C ZINC001667484203 1081256875 /nfs/dbraw/zinc/25/68/75/1081256875.db2.gz VFFOBSZGUKRVER-CQSZACIVSA-N 0 3 321.469 2.049 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC001667600536 1081267117 /nfs/dbraw/zinc/26/71/17/1081267117.db2.gz OUGDASZXCYGBNU-XJKSGUPXSA-N 0 3 304.438 2.042 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](CC)Oc2cccc(C)c2)CC1 ZINC001269505707 1081269527 /nfs/dbraw/zinc/26/95/27/1081269527.db2.gz LOMHHOGVFGGWGI-QGZVFWFLSA-N 0 3 314.429 2.414 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1ccc(F)cc1F ZINC001667657121 1081270822 /nfs/dbraw/zinc/27/08/22/1081270822.db2.gz XAYBGRCVFOVWBI-UHFFFAOYSA-N 0 3 312.360 2.171 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)CC1 ZINC001269526706 1081278444 /nfs/dbraw/zinc/27/84/44/1081278444.db2.gz VDKXXZXAJVXFEH-RUCARUNLSA-N 0 3 314.404 2.318 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2[nH]c(C)nc2C)CCCC1 ZINC001482229878 1081283416 /nfs/dbraw/zinc/28/34/16/1081283416.db2.gz IUTITZSRDTUDDX-UHFFFAOYSA-N 0 3 310.829 2.411 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCCOC)C1 ZINC001269556803 1081289176 /nfs/dbraw/zinc/28/91/76/1081289176.db2.gz OGHJDKPNQFKTJQ-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001269583919 1081295911 /nfs/dbraw/zinc/29/59/11/1081295911.db2.gz QZKOESXRPIHJNM-SJORKVTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2cccnc2n1 ZINC001668065134 1081311657 /nfs/dbraw/zinc/31/16/57/1081311657.db2.gz GLZZLWHMXPGYJP-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CCN[C@@H](C)c2cnccn2)cc1 ZINC001668164011 1081322442 /nfs/dbraw/zinc/32/24/42/1081322442.db2.gz ZXNYWYYYGIFMEF-CABCVRRESA-N 0 3 322.412 2.317 20 30 DEEDHN C=CCCN1CCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)CC1 ZINC000950487658 1081352065 /nfs/dbraw/zinc/35/20/65/1081352065.db2.gz KOHUOXZWGCJLSL-UHFFFAOYSA-N 0 3 316.327 2.071 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001284627403 1081366602 /nfs/dbraw/zinc/36/66/02/1081366602.db2.gz KYVTTZLHFKFGNY-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)[C@H](C)COC)CC2 ZINC001482243625 1081370717 /nfs/dbraw/zinc/37/07/17/1081370717.db2.gz ILYLSCJUOJXDAA-CVEARBPZSA-N 0 3 308.466 2.406 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)CC1CC1 ZINC001482248922 1081390191 /nfs/dbraw/zinc/39/01/91/1081390191.db2.gz SUGZLESLFWOMRP-AWEZNQCLSA-N 0 3 302.393 2.414 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H](C)NC(=O)C#CC(C)C ZINC001669284610 1081443365 /nfs/dbraw/zinc/44/33/65/1081443365.db2.gz PTAHBEYSEPDCCP-OAHLLOKOSA-N 0 3 302.418 2.257 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001669302770 1081445240 /nfs/dbraw/zinc/44/52/40/1081445240.db2.gz VYXGPZOUBFDAJB-GFCCVEGCSA-N 0 3 307.442 2.125 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001669520728 1081455855 /nfs/dbraw/zinc/45/58/55/1081455855.db2.gz LHABRQZHKNMVHL-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[C@@H]1C ZINC001669638979 1081461411 /nfs/dbraw/zinc/46/14/11/1081461411.db2.gz HVELJPLYCNZODP-XEZPLFJOSA-N 0 3 304.821 2.442 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1ccccc1)C2 ZINC001111345813 1081463467 /nfs/dbraw/zinc/46/34/67/1081463467.db2.gz PKKQHUBVLBGEHM-AHCXZYCDSA-N 0 3 312.413 2.199 20 30 DEEDHN Cc1cccc(CN(C)C[C@@H](C)NC(=O)CSCC#N)c1 ZINC001669777004 1081466930 /nfs/dbraw/zinc/46/69/30/1081466930.db2.gz JSJVMKJITZEFBW-CQSZACIVSA-N 0 3 305.447 2.188 20 30 DEEDHN C#CCN(C(=O)CC[C@@H]1CCCO1)C1CCN(CC=C)CC1 ZINC001270289790 1081494867 /nfs/dbraw/zinc/49/48/67/1081494867.db2.gz ABCWWURRLCOYMM-KRWDZBQOSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCN(C(=O)CCCC#CC)C1CCN(CCOCC)CC1 ZINC001270338514 1081504871 /nfs/dbraw/zinc/50/48/71/1081504871.db2.gz HTXFPCIGOFCQKL-UHFFFAOYSA-N 0 3 318.461 2.143 20 30 DEEDHN Cc1conc1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001670305153 1081509225 /nfs/dbraw/zinc/50/92/25/1081509225.db2.gz ZXOKBOPBWCRFBV-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C[C@H](C)CC)C2)CC1 ZINC001671442116 1081516760 /nfs/dbraw/zinc/51/67/60/1081516760.db2.gz FAOLSOUTTQRAPM-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(C(=O)c1ccc(C)o1)C1CCN(CCOCC)CC1 ZINC001671450954 1081517266 /nfs/dbraw/zinc/51/72/66/1081517266.db2.gz YEQUUAYEHGCDFM-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)CC(C)=C(C)C)C2)CC1 ZINC001671442940 1081517292 /nfs/dbraw/zinc/51/72/92/1081517292.db2.gz OYUDNBKXBOSGRS-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(CCOc2cccc(F)c2)CC1 ZINC001671447236 1081517310 /nfs/dbraw/zinc/51/73/10/1081517310.db2.gz BSHAQPCXOLPBSE-UHFFFAOYSA-N 0 3 318.392 2.151 20 30 DEEDHN C#CCN(C(=O)C1=CCCC1)C1CCN(CCOCC)CC1 ZINC001671469945 1081518863 /nfs/dbraw/zinc/51/88/63/1081518863.db2.gz SUEZAHZMQJPTJB-UHFFFAOYSA-N 0 3 304.434 2.059 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2cncc(C)c2)C1 ZINC001671654326 1081530229 /nfs/dbraw/zinc/53/02/29/1081530229.db2.gz RPPFCSANSFZQDS-SFHVURJKSA-N 0 3 301.434 2.479 20 30 DEEDHN C=CCCCN1CC[C@](C)(NC(=O)c2cnc(COC)s2)C1 ZINC001671699493 1081534395 /nfs/dbraw/zinc/53/43/95/1081534395.db2.gz MYKLTEAHVKFEBO-INIZCTEOSA-N 0 3 323.462 2.450 20 30 DEEDHN CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H](C1)O2 ZINC001270500693 1081538281 /nfs/dbraw/zinc/53/82/81/1081538281.db2.gz BWMHCCBXOFNBRP-LUKYLMHMSA-N 0 3 321.465 2.274 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CNCc2ccn(C)n2)CCC1 ZINC001270506767 1081539494 /nfs/dbraw/zinc/53/94/94/1081539494.db2.gz LMIPAWWLBVETRU-AWEZNQCLSA-N 0 3 304.438 2.008 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC001671857616 1081543512 /nfs/dbraw/zinc/54/35/12/1081543512.db2.gz BIHPRCRUGGOEDH-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC001671857618 1081543587 /nfs/dbraw/zinc/54/35/87/1081543587.db2.gz BIHPRCRUGGOEDH-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2c[nH]c3ncccc23)CC1 ZINC001671867896 1081544531 /nfs/dbraw/zinc/54/45/31/1081544531.db2.gz KZSUGPBTFOZXSJ-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cccc(Cl)c2C)C1 ZINC001671998716 1081556735 /nfs/dbraw/zinc/55/67/35/1081556735.db2.gz NOMFCMCAVQBTJO-QGZVFWFLSA-N 0 3 322.836 2.391 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001672040213 1081559483 /nfs/dbraw/zinc/55/94/83/1081559483.db2.gz SDQRJZQULRKSMD-KRWDZBQOSA-N 0 3 322.474 2.362 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@H](C)NCc2cc3n(n2)CCC3)C1 ZINC001672188501 1081564435 /nfs/dbraw/zinc/56/44/35/1081564435.db2.gz AHCUJVDTYGBUQF-LSDHHAIUSA-N 0 3 316.449 2.122 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)COc2c(C)cccc2C)C1 ZINC001270658945 1081588250 /nfs/dbraw/zinc/58/82/50/1081588250.db2.gz ROUOGVNFORQXQV-IBGZPJMESA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001672413229 1081594251 /nfs/dbraw/zinc/59/42/51/1081594251.db2.gz WHDCTZYCXLVMHR-LPZJRDJDSA-N 0 3 312.841 2.112 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCc3cccs3)C[C@@H]2C1 ZINC001672442210 1081598769 /nfs/dbraw/zinc/59/87/69/1081598769.db2.gz BPXBBHZJALDWOD-GASCZTMLSA-N 0 3 302.443 2.094 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCCN(C(=O)[C@H](F)C(C)C)[C@@H]2C1 ZINC001672558117 1081612291 /nfs/dbraw/zinc/61/22/91/1081612291.db2.gz LYXWXLRHIBBAEN-ARFHVFGLSA-N 0 3 312.429 2.106 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NCCC)CC1 ZINC001482327255 1081720168 /nfs/dbraw/zinc/72/01/68/1081720168.db2.gz JINOPHJMEQLCGW-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC1(CC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC)CCCCC1 ZINC001482342256 1081739859 /nfs/dbraw/zinc/73/98/59/1081739859.db2.gz GMOFMZCJBTUGOU-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C(C)(C)C2CCCCC2)CCO1 ZINC001673321713 1081755204 /nfs/dbraw/zinc/75/52/04/1081755204.db2.gz FBHWZKXRXPLGJC-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001673385493 1081763579 /nfs/dbraw/zinc/76/35/79/1081763579.db2.gz FAHUYKHRPSEGQM-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001673439494 1081771565 /nfs/dbraw/zinc/77/15/65/1081771565.db2.gz VNUWGGQQEMRZDB-UHFFFAOYSA-N 0 3 318.465 2.282 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)n1cnc2ccccc21 ZINC001673478523 1081773128 /nfs/dbraw/zinc/77/31/28/1081773128.db2.gz LAMASADXOQOPPW-OAHLLOKOSA-N 0 3 312.417 2.011 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001673491691 1081775668 /nfs/dbraw/zinc/77/56/68/1081775668.db2.gz PCKOHSAPRMMYMR-LSDHHAIUSA-N 0 3 320.383 2.482 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC001673703956 1081793641 /nfs/dbraw/zinc/79/36/41/1081793641.db2.gz LJHZINRNDDSZBW-HXUWFJFHSA-N 0 3 322.408 2.030 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(Cl)cn2C)CC1 ZINC001270892704 1081813964 /nfs/dbraw/zinc/81/39/64/1081813964.db2.gz QIFHSOINPNZYSP-UHFFFAOYSA-N 0 3 307.825 2.144 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)Cc1ccoc1 ZINC001270948249 1081850894 /nfs/dbraw/zinc/85/08/94/1081850894.db2.gz QQXNXHLWAYXJSY-MRXNPFEDSA-N 0 3 310.397 2.310 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001270975519 1081861856 /nfs/dbraw/zinc/86/18/56/1081861856.db2.gz ZGMVZXXBQBOZCC-AOIWGVFYSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)COCCCC ZINC001674420043 1081868846 /nfs/dbraw/zinc/86/88/46/1081868846.db2.gz PIOIOOVHFVSELM-SJLPKXTDSA-N 0 3 302.418 2.361 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](CCC(C)C)NC(C)=O ZINC001674499210 1081883459 /nfs/dbraw/zinc/88/34/59/1081883459.db2.gz FMHOVPSFMJQSLT-DLBZAZTESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCC(=O)NC1CCCC1 ZINC001271094069 1081907553 /nfs/dbraw/zinc/90/75/53/1081907553.db2.gz UIXUUPXRLJFAMG-RDTXWAMCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2cscc2C)CC1 ZINC001266260179 1081924099 /nfs/dbraw/zinc/92/40/99/1081924099.db2.gz ONLDXYXLEDAILO-UHFFFAOYSA-N 0 3 321.490 2.370 20 30 DEEDHN C=CC1(CC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C)CCCCC1 ZINC001271136867 1081932366 /nfs/dbraw/zinc/93/23/66/1081932366.db2.gz KNVZKPURGOUWGY-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(C)n2)CCCC1 ZINC001271238164 1081997276 /nfs/dbraw/zinc/99/72/76/1081997276.db2.gz MWEBXBWIMQJUSD-ZDUSSCGKSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001266371355 1082004564 /nfs/dbraw/zinc/00/45/64/1082004564.db2.gz WQYXKCQLDOWXKN-MRXNPFEDSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)N(C)C(C)C ZINC001482484609 1082033927 /nfs/dbraw/zinc/03/39/27/1082033927.db2.gz HXXYQFYCMPTWTI-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCCCN1CCC[C@@H]1CNC(=O)c1cnns1 ZINC001266447145 1082042637 /nfs/dbraw/zinc/04/26/37/1082042637.db2.gz PGDHRIUMBROGDY-CYBMUJFWSA-N 0 3 308.451 2.479 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001271624321 1082096168 /nfs/dbraw/zinc/09/61/68/1082096168.db2.gz BGBPKZFOKSYSLL-KGLIPLIRSA-N 0 3 323.462 2.062 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001266525084 1082108629 /nfs/dbraw/zinc/10/86/29/1082108629.db2.gz CKVLNNNCRPOZHG-QGZVFWFLSA-N 0 3 310.441 2.488 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001266543611 1082139685 /nfs/dbraw/zinc/13/96/85/1082139685.db2.gz QHKOUOKPNCAYDP-AWEZNQCLSA-N 0 3 305.447 2.417 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)CO[C@@H]1CCCC[C@H]1C ZINC001266573453 1082167251 /nfs/dbraw/zinc/16/72/51/1082167251.db2.gz UWBJZBUGKCGIJQ-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)C#CC1CC1)C(C)C ZINC001271836552 1082168430 /nfs/dbraw/zinc/16/84/30/1082168430.db2.gz BHVNABZRNSWVDK-CYBMUJFWSA-N 0 3 313.239 2.039 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001266583335 1082174828 /nfs/dbraw/zinc/17/48/28/1082174828.db2.gz UOKYZZVMBHXYAV-RCBQFDQVSA-N 0 3 315.804 2.088 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccn(CC(C)C)n1)C1CC1 ZINC001266594717 1082181227 /nfs/dbraw/zinc/18/12/27/1082181227.db2.gz QCJHSONPWFCMAU-UHFFFAOYSA-N 0 3 304.438 2.309 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](OC)C1CCC1)C(C)C ZINC001482548334 1082200501 /nfs/dbraw/zinc/20/05/01/1082200501.db2.gz YVDYXOLYRRCJCR-KBPBESRZSA-N 0 3 302.846 2.284 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cnn2ccccc12 ZINC001670651049 1082205432 /nfs/dbraw/zinc/20/54/32/1082205432.db2.gz PIXMZUNHXNGLSU-MRXNPFEDSA-N 0 3 312.417 2.034 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001670676555 1082212925 /nfs/dbraw/zinc/21/29/25/1082212925.db2.gz GLNNAVLPGNIRTA-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001670676555 1082212932 /nfs/dbraw/zinc/21/29/32/1082212932.db2.gz GLNNAVLPGNIRTA-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](N[C@H](C)c2cnccn2)C1 ZINC001266614651 1082214463 /nfs/dbraw/zinc/21/44/63/1082214463.db2.gz MQUXFWPVRPNCLM-LXTVHRRPSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001271987523 1082220110 /nfs/dbraw/zinc/22/01/10/1082220110.db2.gz JDHMIKLMAUFMDD-YJBOKZPZSA-N 0 3 320.433 2.211 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001271987520 1082220173 /nfs/dbraw/zinc/22/01/73/1082220173.db2.gz JDHMIKLMAUFMDD-CRAIPNDOSA-N 0 3 320.433 2.211 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001670706707 1082225618 /nfs/dbraw/zinc/22/56/18/1082225618.db2.gz CLBKWABNXRGOTE-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)/C=C/c1ccco1 ZINC001266629863 1082231846 /nfs/dbraw/zinc/23/18/46/1082231846.db2.gz VOGOPBKHUABJHZ-QPJJXVBHSA-N 0 3 315.398 2.474 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001670713931 1082241596 /nfs/dbraw/zinc/24/15/96/1082241596.db2.gz MWHCTWNEKQORDJ-CABCVRRESA-N 0 3 316.449 2.236 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CCN(C)CCc1cccs1 ZINC001272005018 1082249561 /nfs/dbraw/zinc/24/95/61/1082249561.db2.gz OBECVQGKNOETIY-INIZCTEOSA-N 0 3 310.463 2.008 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)COCCCC)C1 ZINC001266658696 1082254427 /nfs/dbraw/zinc/25/44/27/1082254427.db2.gz HMCKAPCFQPUROR-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCNCc1c(C)cccc1Cl ZINC001266696269 1082290173 /nfs/dbraw/zinc/29/01/73/1082290173.db2.gz BQZHKDKDCFPOAV-CQSZACIVSA-N 0 3 322.836 2.235 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2c(F)cccc2F)C1 ZINC001266758063 1082326035 /nfs/dbraw/zinc/32/60/35/1082326035.db2.gz MVRWYDFMHOWLNT-AWEZNQCLSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001266764607 1082328849 /nfs/dbraw/zinc/32/88/49/1082328849.db2.gz TZEPHHQEBYFCLQ-JKSUJKDBSA-N 0 3 324.428 2.059 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](CN[C@@H](C)c2nncn2C)C1 ZINC001266804164 1082357451 /nfs/dbraw/zinc/35/74/51/1082357451.db2.gz CQIFEZGGFDSCDO-GJZGRUSLSA-N 0 3 319.453 2.061 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1Cc2ccccc21 ZINC001266821979 1082371154 /nfs/dbraw/zinc/37/11/54/1082371154.db2.gz HAVHKNKOFGJODG-LJQANCHMSA-N 0 3 319.408 2.446 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)CC(C)(F)F ZINC001266827969 1082375112 /nfs/dbraw/zinc/37/51/12/1082375112.db2.gz IFZBZVALDAQEJP-UHFFFAOYSA-N 0 3 313.323 2.291 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H](OCC)C(C)C)[C@@H]2C1 ZINC001272078756 1082403663 /nfs/dbraw/zinc/40/36/63/1082403663.db2.gz RDUFRLLRVUKCSY-KSZLIROESA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001266867614 1082414051 /nfs/dbraw/zinc/41/40/51/1082414051.db2.gz NKYBNOADGPTEHZ-OPYKRYAKSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cc(F)c(F)c(F)c1F ZINC001482644375 1082433290 /nfs/dbraw/zinc/43/32/90/1082433290.db2.gz NVPVLNZLVUJRAB-UHFFFAOYSA-N 0 3 304.287 2.433 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2cc(C)ncn2)C1 ZINC001482658390 1082440223 /nfs/dbraw/zinc/44/02/23/1082440223.db2.gz SVAMYSPDMGDMRC-DOTOQJQBSA-N 0 3 314.433 2.174 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C#CC(C)(C)C)cc1F ZINC001266937286 1082464169 /nfs/dbraw/zinc/46/41/69/1082464169.db2.gz FVAZATZRMWHHSW-CYBMUJFWSA-N 0 3 320.408 2.478 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NCC(=O)N1CCCC[C@H]1C ZINC001266942776 1082466439 /nfs/dbraw/zinc/46/64/39/1082466439.db2.gz LLSRZYJERVNROW-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@H](C)C(=O)NC/C=C/CNCc1ccc(OC)c(C#N)c1 ZINC001482980154 1082594267 /nfs/dbraw/zinc/59/42/67/1082594267.db2.gz IHILCABFTKIUAA-GJBLVYBDSA-N 0 3 315.417 2.375 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC001272126507 1082595982 /nfs/dbraw/zinc/59/59/82/1082595982.db2.gz ZNOXCXFQJWTWNJ-GFCCVEGCSA-N 0 3 309.435 2.184 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001483034914 1082636900 /nfs/dbraw/zinc/63/69/00/1082636900.db2.gz OYVRDWGVBJOAKD-KJPDOMRESA-N 0 3 304.434 2.011 20 30 DEEDHN COCC#CCN1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001272196145 1082641145 /nfs/dbraw/zinc/64/11/45/1082641145.db2.gz OZNJKMFXNVKALI-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2cc(C)no2)C1 ZINC001272199116 1082657789 /nfs/dbraw/zinc/65/77/89/1082657789.db2.gz ZCTWCXREJACEIP-HOCLYGCPSA-N 0 3 303.406 2.372 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccsn1 ZINC001409341594 1082832592 /nfs/dbraw/zinc/83/25/92/1082832592.db2.gz BIBRTROLRMBALQ-UWVGGRQHSA-N 0 3 320.443 2.373 20 30 DEEDHN Cc1cnc([C@H](C)NCC(C)(C)CN(C)C(=O)[C@H](C)C#N)cn1 ZINC001409444442 1082892978 /nfs/dbraw/zinc/89/29/78/1082892978.db2.gz IDHXCPZCTIKPBV-OCCSQVGLSA-N 0 3 317.437 2.080 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001077621543 1083486513 /nfs/dbraw/zinc/48/65/13/1083486513.db2.gz NZJMGGDQNYXXMM-HUUCEWRRSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cc(OC)no2)C(C)(C)C1 ZINC001276586468 1083502281 /nfs/dbraw/zinc/50/22/81/1083502281.db2.gz JOZXZPNZOQMUIA-CQSZACIVSA-N 0 3 321.421 2.019 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H](CNCc1cncc(F)c1)C1CC1 ZINC001276589469 1083504192 /nfs/dbraw/zinc/50/41/92/1083504192.db2.gz QZICOXQMHFYCPU-INIZCTEOSA-N 0 3 317.408 2.255 20 30 DEEDHN Cn1cc(CN2CCCC3(CN(Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001276608679 1083513960 /nfs/dbraw/zinc/51/39/60/1083513960.db2.gz SHXROUICBNBQGY-UHFFFAOYSA-N 0 3 323.444 2.323 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3oc(C)nc3C)C[C@H]21 ZINC001276678032 1083545660 /nfs/dbraw/zinc/54/56/60/1083545660.db2.gz MUDLFGDOHQJRQM-PHZGNYQRSA-N 0 3 317.433 2.442 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001276933816 1083688898 /nfs/dbraw/zinc/68/88/98/1083688898.db2.gz ZZKOKEUETWNSRP-AWEZNQCLSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCCCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N(C)C ZINC001277159599 1083818525 /nfs/dbraw/zinc/81/85/25/1083818525.db2.gz KQCPYUUPKMUXTR-HZMVEIRTSA-N 0 3 308.466 2.425 20 30 DEEDHN C=CCCCCCCCN1CCn2c(nnc2C(N)=O)C[C@H]1C ZINC001277167319 1083822730 /nfs/dbraw/zinc/82/27/30/1083822730.db2.gz QJQWITBXSWKDEN-CQSZACIVSA-N 0 3 319.453 2.150 20 30 DEEDHN CCCCCCCN1CCn2c(nnc2C(=O)N(C)C)C[C@@H]1C ZINC001277226253 1083855304 /nfs/dbraw/zinc/85/53/04/1083855304.db2.gz UDVOBZHWLAIFNG-AWEZNQCLSA-N 0 3 321.469 2.197 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001277345099 1083918885 /nfs/dbraw/zinc/91/88/85/1083918885.db2.gz FXZNMBHTTHRHBT-SJORKVTESA-N 0 3 318.461 2.304 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(N(C)CC(=O)NCCC)CC1 ZINC001277403563 1083951757 /nfs/dbraw/zinc/95/17/57/1083951757.db2.gz KPGJVODYXCKGTQ-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2c(C)[nH]c3ncccc23)C1=O ZINC001272766956 1083988762 /nfs/dbraw/zinc/98/87/62/1083988762.db2.gz VOWLFNGCTQDZAG-IBGZPJMESA-N 0 3 322.412 2.071 20 30 DEEDHN Cc1ccccc1CN1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277470213 1083990154 /nfs/dbraw/zinc/99/01/54/1083990154.db2.gz QICBABKDNJGRDP-KRWDZBQOSA-N 0 3 309.413 2.189 20 30 DEEDHN Cc1ccc(C)c(CN2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001277477316 1083994211 /nfs/dbraw/zinc/99/42/11/1083994211.db2.gz LGWUJBJUWWHOED-GOSISDBHSA-N 0 3 323.440 2.497 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](C)CSC)C2)CC1 ZINC001277483125 1083997200 /nfs/dbraw/zinc/99/72/00/1083997200.db2.gz SPYKUBYFAGYCBX-OAHLLOKOSA-N 0 3 308.491 2.323 20 30 DEEDHN Cc1cccc(C)c1CN1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277498690 1084003793 /nfs/dbraw/zinc/00/37/93/1084003793.db2.gz ZWXSMLPJPHGDAE-SFHVURJKSA-N 0 3 323.440 2.497 20 30 DEEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)c1cc[nH]c1 ZINC001272789968 1084060339 /nfs/dbraw/zinc/06/03/39/1084060339.db2.gz GXUNFPKGYPSZCF-LBPRGKRZSA-N 0 3 314.364 2.324 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1 ZINC001649074220 1084086422 /nfs/dbraw/zinc/08/64/22/1084086422.db2.gz IOYCUOCYVPVIAM-AWEZNQCLSA-N 0 3 321.808 2.468 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCOc2ccccc2F)C1 ZINC001491130171 1084094415 /nfs/dbraw/zinc/09/44/15/1084094415.db2.gz XQHDAZQVZLXJMM-HNNXBMFYSA-N 0 3 318.392 2.056 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)COC2CCC(C)CC2)C1 ZINC001491132864 1084103822 /nfs/dbraw/zinc/10/38/22/1084103822.db2.gz HHWDFACQKGJFTL-AQFXKWCLSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](CNCc2ccn(C)n2)C1 ZINC001491168342 1084123120 /nfs/dbraw/zinc/12/31/20/1084123120.db2.gz DRPBOBFKFKIRRV-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C1(C)CC1 ZINC001277827134 1084163943 /nfs/dbraw/zinc/16/39/43/1084163943.db2.gz VMHKTFDWSOMLKW-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001491238183 1084175391 /nfs/dbraw/zinc/17/53/91/1084175391.db2.gz ZUAYZWMOZPXALQ-UAGQMJEPSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001491250698 1084181717 /nfs/dbraw/zinc/18/17/17/1084181717.db2.gz PGFPKQFCZKPOCR-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN CCN1CCN(c2ccc(OC3=C(C)O[C@H](C)C3=O)cc2)CC1 ZINC001234657054 1084189192 /nfs/dbraw/zinc/18/91/92/1084189192.db2.gz AJWGHVGFYMJFDD-CYBMUJFWSA-N 0 3 316.401 2.427 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2c(C)noc2Cl)C1 ZINC001491298555 1084221608 /nfs/dbraw/zinc/22/16/08/1084221608.db2.gz VXKHRRMYRCIXAO-DGCLKSJQSA-N 0 3 323.824 2.029 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001272817885 1084248747 /nfs/dbraw/zinc/24/87/47/1084248747.db2.gz UNMQHOHWYPQBKL-GOSISDBHSA-N 0 3 318.461 2.163 20 30 DEEDHN CC[C@H](F)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001277915618 1084269147 /nfs/dbraw/zinc/26/91/47/1084269147.db2.gz BKHVHGJTFKZYEM-SJORKVTESA-N 0 3 302.393 2.367 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001128084736 1084276940 /nfs/dbraw/zinc/27/69/40/1084276940.db2.gz BIVZWTHFNJHYTA-UHFFFAOYSA-N 0 3 316.449 2.122 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001235036232 1084285130 /nfs/dbraw/zinc/28/51/30/1084285130.db2.gz KSOMGKMERKHBQB-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001077877854 1084310724 /nfs/dbraw/zinc/31/07/24/1084310724.db2.gz HWJNXVBZINLFSG-IAGOWNOFSA-N 0 3 316.445 2.335 20 30 DEEDHN CCN(C)C(C)(C)C(=O)N[C@H](C)CNc1cccc(F)c1C#N ZINC001107994337 1084319287 /nfs/dbraw/zinc/31/92/87/1084319287.db2.gz CKLLLOWKQIHDDE-GFCCVEGCSA-N 0 3 320.412 2.344 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCOC2 ZINC001235260033 1084364606 /nfs/dbraw/zinc/36/46/06/1084364606.db2.gz FNHGHNZNAMGPHI-OAHLLOKOSA-N 0 3 317.433 2.200 20 30 DEEDHN C=Cc1ccc(C(=O)N(C)C[C@@H](C)NCC#CCOC)cc1 ZINC001277945715 1084431153 /nfs/dbraw/zinc/43/11/53/1084431153.db2.gz HOTMQYSDRYVZAE-OAHLLOKOSA-N 0 3 300.402 2.030 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@@H]2CC23CCC3)CC2(CCOCC2)C1 ZINC001089959320 1084442795 /nfs/dbraw/zinc/44/27/95/1084442795.db2.gz HPSJSTIJOZMPNZ-CVEARBPZSA-N 0 3 318.461 2.350 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1COc2ccccc2C1 ZINC001272898041 1084447504 /nfs/dbraw/zinc/44/75/04/1084447504.db2.gz SYGFOJVWSFVZDR-UKRRQHHQSA-N 0 3 322.836 2.475 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(Cc3cccc(C)c3)C2)OCC1=O ZINC001272907582 1084458802 /nfs/dbraw/zinc/45/88/02/1084458802.db2.gz SAQDLPNWYHRCSZ-IBGZPJMESA-N 0 3 314.429 2.374 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001078244563 1084612053 /nfs/dbraw/zinc/61/20/53/1084612053.db2.gz IUSCRUAPTLQTLW-ARFHVFGLSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CCOCC2)C12CCC2 ZINC001078529824 1084725473 /nfs/dbraw/zinc/72/54/73/1084725473.db2.gz WNLYYCSYJUJTLD-KGLIPLIRSA-N 0 3 312.841 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)C12CCC2 ZINC001078558738 1084744677 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CC(F)(F)C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000961475736 1085747010 /nfs/dbraw/zinc/74/70/10/1085747010.db2.gz GXKXBORJTVNGPI-UHFFFAOYSA-N 0 3 307.344 2.198 20 30 DEEDHN C=C(C)CCC(=O)NCCNCC(=O)N(CC)C1CCCCC1 ZINC001128414272 1085772513 /nfs/dbraw/zinc/77/25/13/1085772513.db2.gz XFVHGFBSHVLSRS-UHFFFAOYSA-N 0 3 323.481 2.230 20 30 DEEDHN CC(C)C(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC000961572306 1085791586 /nfs/dbraw/zinc/79/15/86/1085791586.db2.gz ZAYXQGXBFLJTHL-UHFFFAOYSA-N 0 3 303.381 2.338 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nc(C)sc2c1 ZINC000962198096 1086011490 /nfs/dbraw/zinc/01/14/90/1086011490.db2.gz WODRTIVKSVCHJQ-VIKVFOODSA-N 0 3 313.426 2.451 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(Cl)ccc1OC ZINC000962467500 1086125803 /nfs/dbraw/zinc/12/58/03/1086125803.db2.gz HHINQOPGCZTRLW-NHAGDIPZSA-N 0 3 306.793 2.195 20 30 DEEDHN C=CCN1C(=O)COCC12CN(C[C@@H]1CCC(C)=C[C@@H]1C)C2 ZINC001273124613 1086282119 /nfs/dbraw/zinc/28/21/19/1086282119.db2.gz 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C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001079805237 1088427850 /nfs/dbraw/zinc/42/78/50/1088427850.db2.gz JYFIXZUFICHGFK-YUELXQCFSA-N 0 3 313.873 2.050 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001079847792 1088471625 /nfs/dbraw/zinc/47/16/25/1088471625.db2.gz YUIVEVWVFZSRRV-DGCLKSJQSA-N 0 3 318.446 2.330 20 30 DEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001079897889 1088496404 /nfs/dbraw/zinc/49/64/04/1088496404.db2.gz WFZIHHYKSXXJIY-DGCLKSJQSA-N 0 3 320.462 2.432 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001079957137 1088519232 /nfs/dbraw/zinc/51/92/32/1088519232.db2.gz MWKDIHFOKDTTKY-RRFJBIMHSA-N 0 3 316.449 2.092 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001079993343 1088539050 /nfs/dbraw/zinc/53/90/50/1088539050.db2.gz GXXGIEPUMQLSFG-CZUORRHYSA-N 0 3 312.417 2.200 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CC[C@@H]2CCOC2)CC1 ZINC001164015473 1088589703 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CCN(CCNC(=O)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC001442633238 1091751874 /nfs/dbraw/zinc/75/18/74/1091751874.db2.gz BFPVLCWOWMQVCP-UHFFFAOYSA-N 0 3 313.323 2.449 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001490836453 1091810867 /nfs/dbraw/zinc/81/08/67/1091810867.db2.gz DHOJBZOCPRSIFY-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CCCCCCCNC(=S)N1CCOC[C@H]1CN(C)C ZINC001249638799 1091846608 /nfs/dbraw/zinc/84/66/08/1091846608.db2.gz GRPCTVBZWJUEJU-CQSZACIVSA-N 0 3 301.500 2.094 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CN(C)CCc1scnc1C ZINC001275545501 1091843420 /nfs/dbraw/zinc/84/34/20/1091843420.db2.gz XVPRUFLFDLRFHJ-CYBMUJFWSA-N 0 3 307.463 2.234 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001492987018 1091872777 /nfs/dbraw/zinc/87/27/77/1091872777.db2.gz PCVGXFJKARDSJB-AWEZNQCLSA-N 0 3 306.381 2.316 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C1CCCCCCC1 ZINC001273498982 1091886997 /nfs/dbraw/zinc/88/69/97/1091886997.db2.gz RYAIVWRCGOJBPE-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cccnc2OC)CC1 ZINC000948743496 1091910680 /nfs/dbraw/zinc/91/06/80/1091910680.db2.gz WABZASXAYNFEEB-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccc3cccnn32)CC1 ZINC000948836982 1091962659 /nfs/dbraw/zinc/96/26/59/1091962659.db2.gz SUXHPHMUQPGVDS-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC000948861997 1091969817 /nfs/dbraw/zinc/96/98/17/1091969817.db2.gz YAGXKPAHPLTRHJ-INIZCTEOSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000948861997 1091969823 /nfs/dbraw/zinc/96/98/23/1091969823.db2.gz YAGXKPAHPLTRHJ-INIZCTEOSA-N 0 3 324.428 2.431 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ncn4ccccc34)C2)C1=O ZINC001273674025 1091988797 /nfs/dbraw/zinc/98/87/97/1091988797.db2.gz JTIDJHYHWBEVPM-LJQANCHMSA-N 0 3 324.428 2.335 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1coc2ccccc12 ZINC001273778217 1092044900 /nfs/dbraw/zinc/04/49/00/1092044900.db2.gz 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/nfs/dbraw/zinc/84/50/02/1138845002.db2.gz MSGXVESEJMZURA-CVEARBPZSA-N 0 3 313.401 2.010 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@H]1C ZINC001278292440 1139019480 /nfs/dbraw/zinc/01/94/80/1139019480.db2.gz FSVWNDJWTPFBIP-WBVHZDCISA-N 0 3 316.449 2.001 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c(F)c1 ZINC001278304547 1139178511 /nfs/dbraw/zinc/17/85/11/1139178511.db2.gz BGMGBABCHATJEW-YOEHRIQHSA-N 0 3 301.365 2.175 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4cnc(C#N)nc4)cc3)CC2)CC1 ZINC001240582432 1139445800 /nfs/dbraw/zinc/44/58/00/1139445800.db2.gz LYHQCRKKJRNXNL-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(=O)OCC)cc1 ZINC001297372726 1139864168 /nfs/dbraw/zinc/86/41/68/1139864168.db2.gz BIKMGLFKQZRBJH-UHFFFAOYSA-N 0 3 318.417 2.443 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc2onc(C)c2c1 ZINC001297379896 1139864920 /nfs/dbraw/zinc/86/49/20/1139864920.db2.gz RKSVFCWLYHOJGY-UHFFFAOYSA-N 0 3 302.378 2.111 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(-n2cccc2)nc1 ZINC001297380081 1139865054 /nfs/dbraw/zinc/86/50/54/1139865054.db2.gz UKPDOPVDMIJYFO-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CCC[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(=O)OCC ZINC001298023900 1139955581 /nfs/dbraw/zinc/95/55/81/1139955581.db2.gz FSFFDTGNALXQIO-CABCVRRESA-N 0 3 310.438 2.121 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001491751617 1140296552 /nfs/dbraw/zinc/29/65/52/1140296552.db2.gz PRGTXYUXOLEFCW-CVEARBPZSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001318415329 1140320521 /nfs/dbraw/zinc/32/05/21/1140320521.db2.gz XZFQZFFCHLYLHM-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CCOCC=C)C2)cc1 ZINC001318426385 1140326720 /nfs/dbraw/zinc/32/67/20/1140326720.db2.gz YSZURWOCMYDSNL-GOSISDBHSA-N 0 3 312.413 2.017 20 30 DEEDHN CCCCCCCN1CC[C@@H](N(C)C(=O)c2nonc2C)C1 ZINC001318454031 1140334592 /nfs/dbraw/zinc/33/45/92/1140334592.db2.gz QIWCGFDWHBKMJT-CQSZACIVSA-N 0 3 308.426 2.495 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@](C)(CNCCF)C1CC1 ZINC001318731673 1140395811 /nfs/dbraw/zinc/39/58/11/1140395811.db2.gz PRFSOGNNGCVWSC-SFHVURJKSA-N 0 3 302.393 2.054 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCc2cccc(OC)c2)C1 ZINC001278390143 1140476385 /nfs/dbraw/zinc/47/63/85/1140476385.db2.gz DSJSLWYBSYHBGK-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1c(C)noc1C ZINC001319065683 1140498786 /nfs/dbraw/zinc/49/87/86/1140498786.db2.gz HCZKQPAVMBIASX-OAHLLOKOSA-N 0 3 303.406 2.176 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@H](C)C1CC1)CC2 ZINC001319395900 1140562572 /nfs/dbraw/zinc/56/25/72/1140562572.db2.gz XPOVNXOWMXUUFJ-OAHLLOKOSA-N 0 3 306.450 2.160 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cnns2)[C@H](C)C1 ZINC001319679864 1140656616 /nfs/dbraw/zinc/65/66/16/1140656616.db2.gz BGSWZANLLUNGGL-TZMCWYRMSA-N 0 3 322.478 2.467 20 30 DEEDHN CCc1ccccc1CN(C)CCN(C)C(=O)CSCC#N ZINC001319976340 1140808283 /nfs/dbraw/zinc/80/82/83/1140808283.db2.gz ILBPKMAPJGSQGD-UHFFFAOYSA-N 0 3 319.474 2.396 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001320294663 1140844901 /nfs/dbraw/zinc/84/49/01/1140844901.db2.gz POICEXGHLSFVSM-KRWDZBQOSA-N 0 3 317.433 2.105 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001320490190 1140871186 /nfs/dbraw/zinc/87/11/86/1140871186.db2.gz HSNMNBOVPNWIRH-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCOc1ccc(C)cc1C ZINC001321083805 1141049433 /nfs/dbraw/zinc/04/94/33/1141049433.db2.gz QOZLQBCNRHDOFZ-VOTSOKGWSA-N 0 3 314.429 2.358 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001321379335 1141217503 /nfs/dbraw/zinc/21/75/03/1141217503.db2.gz XUBPSVQROHLVRS-FYCOFBDGSA-N 0 3 300.402 2.048 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC1(F)F ZINC001321551029 1141306899 /nfs/dbraw/zinc/30/68/99/1141306899.db2.gz FLNBLDSGCDRIAP-IUODEOHRSA-N 0 3 324.346 2.317 20 30 DEEDHN COC[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001321800334 1141345894 /nfs/dbraw/zinc/34/58/94/1141345894.db2.gz BWFJNDQLNCXFNI-KGLIPLIRSA-N 0 3 322.836 2.068 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1cnn2ccccc12 ZINC001322548458 1141626287 /nfs/dbraw/zinc/62/62/87/1141626287.db2.gz BMTLVZLSXKDWLP-UHFFFAOYSA-N 0 3 320.824 2.067 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCCNCc2cc(C)ncn2)CC1 ZINC001322678182 1141677978 /nfs/dbraw/zinc/67/79/78/1141677978.db2.gz MDLVNXJHIWTWBT-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN C#CCN(CC1CC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001322950716 1141778557 /nfs/dbraw/zinc/77/85/57/1141778557.db2.gz CKXGBNZTAZJNIG-GOSISDBHSA-N 0 3 311.429 2.165 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001323004649 1141800687 /nfs/dbraw/zinc/80/06/87/1141800687.db2.gz GGXWWYRNWKTXCO-SMDDNHRTSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2cccc(OC)c2)CC1 ZINC001323308764 1141840199 /nfs/dbraw/zinc/84/01/99/1141840199.db2.gz MCDMOXBXNBOUHR-INIZCTEOSA-N 0 3 314.429 2.493 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001323356053 1141845262 /nfs/dbraw/zinc/84/52/62/1141845262.db2.gz HLITWFFKVRQDRU-CQSZACIVSA-N 0 3 324.856 2.310 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H]1CCN1CCCOC)c1ccccc1 ZINC001323356872 1141845519 /nfs/dbraw/zinc/84/55/19/1141845519.db2.gz LQPLGYPZBIUOQW-IRXDYDNUSA-N 0 3 302.418 2.183 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@H]1CCN1CCCOC)c1ccccc1 ZINC001323356869 1141845570 /nfs/dbraw/zinc/84/55/70/1141845570.db2.gz LQPLGYPZBIUOQW-DLBZAZTESA-N 0 3 302.418 2.183 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc4c(c3)OCCO4)no2)CCCN1 ZINC001249351732 1141877365 /nfs/dbraw/zinc/87/73/65/1141877365.db2.gz GATVMJMEAQNTPY-QGZVFWFLSA-N 0 3 311.341 2.110 20 30 DEEDHN N#Cc1ccc2cc(CN3CCC(N4CCOCC4)CC3)[nH]c2c1 ZINC001249426154 1141888325 /nfs/dbraw/zinc/88/83/25/1141888325.db2.gz GQVHBZGIXIJWNA-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCCn2ccnc2)[C@H]1C ZINC001278533505 1142019429 /nfs/dbraw/zinc/01/94/29/1142019429.db2.gz UXZRKUYADVFEPW-CVEARBPZSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCc1cnc(C)nc1 ZINC001324212913 1142032847 /nfs/dbraw/zinc/03/28/47/1142032847.db2.gz IONJLMSYCNVDFP-WBVHZDCISA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCN(C(=O)C1CC1)C1CCN(CCOCCC(C)C)CC1 ZINC001324352921 1142061787 /nfs/dbraw/zinc/06/17/87/1142061787.db2.gz LGTNTWLLRJQXMV-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN(C(=O)[C@H](C)CCC(C)(C)C)C1CCN(CCO)CC1 ZINC001324432358 1142077107 /nfs/dbraw/zinc/07/71/07/1142077107.db2.gz SWZXPBDYJSRBLS-MRXNPFEDSA-N 0 3 322.493 2.367 20 30 DEEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(CCn2nc(C)cc2C)C1 ZINC001324618477 1142153137 /nfs/dbraw/zinc/15/31/37/1142153137.db2.gz AJGCUDMBDYGKLC-SFHVURJKSA-N 0 3 318.465 2.437 20 30 DEEDHN C#CCOC[C@@H](O)CN1CCC(Oc2cccc(Cl)c2)CC1 ZINC001251847888 1142520324 /nfs/dbraw/zinc/52/03/24/1142520324.db2.gz ORFCVPXNQPZUSC-HNNXBMFYSA-N 0 3 323.820 2.194 20 30 DEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccc(F)cc1 ZINC001251929736 1142551174 /nfs/dbraw/zinc/55/11/74/1142551174.db2.gz KBHCIHMNUHUAEM-DMRZNYOFSA-N 0 3 304.365 2.332 20 30 DEEDHN CC#CC[C@H](CO)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC001336805666 1142580662 /nfs/dbraw/zinc/58/06/62/1142580662.db2.gz WCHIWXSSMKSKRF-RISCZKNCSA-N 0 3 302.201 2.391 20 30 DEEDHN CCCCCCCC[C@H](O)CN1CC(N2CCN(C)CC2)C1 ZINC001252133308 1142650708 /nfs/dbraw/zinc/65/07/08/1142650708.db2.gz NPDXLXAWMWOMBI-SFHVURJKSA-N 0 3 311.514 2.030 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCC[C@H](NC(=O)NC)C1 ZINC001252134802 1142653455 /nfs/dbraw/zinc/65/34/55/1142653455.db2.gz ZBWRKZNZYUAQQQ-JKSUJKDBSA-N 0 3 313.486 2.491 20 30 DEEDHN CCCCCCCC[C@H](O)CNCC(=O)NCC(F)(F)F ZINC001252139348 1142653782 /nfs/dbraw/zinc/65/37/82/1142653782.db2.gz MFHJXNGGJPLREQ-LBPRGKRZSA-N 0 3 312.376 2.366 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC001278666576 1142715710 /nfs/dbraw/zinc/71/57/10/1142715710.db2.gz DKXPQGOCFUXIDV-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN CCCCC1(C(=O)N2C[C@H](NCC#CCOC)C(C)(C)C2)CC1 ZINC001278666368 1142716233 /nfs/dbraw/zinc/71/62/33/1142716233.db2.gz BKGVPTUGMHCCCV-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001337247389 1142716911 /nfs/dbraw/zinc/71/69/11/1142716911.db2.gz RKHPIXDSBUAGMA-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOC[C@H](O)CN[C@H](C)c1ccc(Br)cn1 ZINC001252494507 1142734798 /nfs/dbraw/zinc/73/47/98/1142734798.db2.gz YSYOICZSMHLPCL-ZYHUDNBSSA-N 0 3 315.211 2.058 20 30 DEEDHN C=C[C@@](C)(O)CN1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001252546934 1142758237 /nfs/dbraw/zinc/75/82/37/1142758237.db2.gz COLBUOVYYJYCLX-MRXNPFEDSA-N 0 3 310.438 2.399 20 30 DEEDHN C=C[C@](C)(O)CN1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001252552222 1142760874 /nfs/dbraw/zinc/76/08/74/1142760874.db2.gz IFHNENNNAUBIMH-PBHICJAKSA-N 0 3 306.454 2.037 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001252676590 1142806878 /nfs/dbraw/zinc/80/68/78/1142806878.db2.gz WSZDUMGQCPTAFI-WMZOPIPTSA-N 0 3 318.417 2.187 20 30 DEEDHN C=C[C@H](O)CN[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001253566021 1142880670 /nfs/dbraw/zinc/88/06/70/1142880670.db2.gz VEVPHALPQHQEPS-LSDHHAIUSA-N 0 3 306.406 2.389 20 30 DEEDHN C[C@](O)(CN1CCC[C@H](CC#N)C1)C(=O)OCc1ccccc1 ZINC001253632845 1142886511 /nfs/dbraw/zinc/88/65/11/1142886511.db2.gz SGNNLXAELBZIPP-QAPCUYQASA-N 0 3 316.401 2.106 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1OC ZINC001339974927 1143214545 /nfs/dbraw/zinc/21/45/45/1143214545.db2.gz GMCUTZZAIDTWCH-CYBMUJFWSA-N 0 3 319.405 2.019 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001278800354 1143288054 /nfs/dbraw/zinc/28/80/54/1143288054.db2.gz MPXJEYZRRVVTPS-QGZVFWFLSA-N 0 3 324.371 2.016 20 30 DEEDHN CC(C)(C)NC(=O)CO[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254671668 1143309073 /nfs/dbraw/zinc/30/90/73/1143309073.db2.gz SQPNSWHMDKAWPW-SOUVJXGZSA-N 0 3 307.438 2.074 20 30 DEEDHN COc1cnc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)nc1 ZINC001254675022 1143310276 /nfs/dbraw/zinc/31/02/76/1143310276.db2.gz DBZYETSLKDBCOV-STQMWFEESA-N 0 3 302.378 2.021 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC001340401808 1143338389 /nfs/dbraw/zinc/33/83/89/1143338389.db2.gz VRDPLRIULKOBNW-CABCVRRESA-N 0 3 312.360 2.452 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001278821079 1143350310 /nfs/dbraw/zinc/35/03/10/1143350310.db2.gz HRHINMGQZMDASJ-SFHVURJKSA-N 0 3 302.418 2.046 20 30 DEEDHN C=C[C@@H](COC)NCc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC001255018070 1143384513 /nfs/dbraw/zinc/38/45/13/1143384513.db2.gz AJUOKXGQVJDBFH-HNNXBMFYSA-N 0 3 307.390 2.146 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(=O)NCC)c1 ZINC001340634545 1143387063 /nfs/dbraw/zinc/38/70/63/1143387063.db2.gz GOALTYBHUWQUJT-AWEZNQCLSA-N 0 3 304.394 2.450 20 30 DEEDHN CC[C@H](CC#N)N[C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255162429 1143453447 /nfs/dbraw/zinc/45/34/47/1143453447.db2.gz PHTXVFGMKAXHEM-APIJFGDWSA-N 0 3 323.437 2.435 20 30 DEEDHN CC[C@@H](CC#N)n1nc(C(=O)N2CCC[C@H]2C)c2c1CCNC2 ZINC001255169524 1143464767 /nfs/dbraw/zinc/46/47/67/1143464767.db2.gz GGVVBPNFPFGCSE-OLZOCXBDSA-N 0 3 315.421 2.018 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001341410088 1143596845 /nfs/dbraw/zinc/59/68/45/1143596845.db2.gz SLRYMFCRQJTXMS-ZBFHGGJFSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC001341446931 1143605066 /nfs/dbraw/zinc/60/50/66/1143605066.db2.gz SOXPAMRLMWLWQG-DLBZAZTESA-N 0 3 312.417 2.424 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001341497890 1143616715 /nfs/dbraw/zinc/61/67/15/1143616715.db2.gz SERYBCMOXMUEPE-OAHLLOKOSA-N 0 3 315.421 2.422 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C ZINC001341593244 1143633792 /nfs/dbraw/zinc/63/37/92/1143633792.db2.gz LGSGBOFRGAARRZ-GXTWGEPZSA-N 0 3 301.390 2.039 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)[C@@H]2CCCO2)cc1 ZINC001342054593 1143777581 /nfs/dbraw/zinc/77/75/81/1143777581.db2.gz PEKYHXUBDGRTGN-DFBGVHRSSA-N 0 3 316.357 2.158 20 30 DEEDHN N#CC(C(=O)COC(F)F)C(=O)Nc1ccccc1Cl ZINC001342597024 1143825779 /nfs/dbraw/zinc/82/57/79/1143825779.db2.gz GNVQUZYRCPPOJZ-ZETCQYMHSA-N 0 3 302.664 2.227 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc2c(c1)CCO2 ZINC001342803947 1143837622 /nfs/dbraw/zinc/83/76/22/1143837622.db2.gz WPRNGHUJGMQZIW-DOMZBBRYSA-N 0 3 301.390 2.210 20 30 DEEDHN C#CCCN(C)CCN(C(=O)CCc1nccs1)C(C)C ZINC001278929856 1143842717 /nfs/dbraw/zinc/84/27/17/1143842717.db2.gz NCUBMDPVEHVGDA-UHFFFAOYSA-N 0 3 307.463 2.268 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](NC(=O)/C(C)=C\CC)C(C)(C)C ZINC001278945008 1143852438 /nfs/dbraw/zinc/85/24/38/1143852438.db2.gz FVYBXSRSBFHSKG-GTISMEIMSA-N 0 3 323.481 2.154 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](CNCc1ccccn1)C(C)(C)C ZINC001278956245 1143861133 /nfs/dbraw/zinc/86/11/33/1143861133.db2.gz IQZJZRIWDPIOKK-YJBOKZPZSA-N 0 3 319.449 2.029 20 30 DEEDHN C#CCCN(CCNC(=O)c1cccc(Cl)c1C)CCOC ZINC001279045569 1143953355 /nfs/dbraw/zinc/95/33/55/1143953355.db2.gz XPFKCANZCHCRKC-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 ZINC001263088555 1144354713 /nfs/dbraw/zinc/35/47/13/1144354713.db2.gz LZGYOKIGODVJNS-KGLIPLIRSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC001263111509 1144356887 /nfs/dbraw/zinc/35/68/87/1144356887.db2.gz FKZUHSDMEDWVAZ-IAGOWNOFSA-N 0 3 317.433 2.273 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)NCCCCN1CCN(C)CC1 ZINC001263698747 1144389381 /nfs/dbraw/zinc/38/93/81/1144389381.db2.gz SJDAWIRCJNZMQU-QGZVFWFLSA-N 0 3 322.497 2.154 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CCOC ZINC001263946842 1144429730 /nfs/dbraw/zinc/42/97/30/1144429730.db2.gz YTPXKRANWIMISC-GXTWGEPZSA-N 0 3 302.846 2.382 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)OCCCC)CC(C)(C)C1 ZINC001264192590 1144503320 /nfs/dbraw/zinc/50/33/20/1144503320.db2.gz BOZHMBDKHDWSKA-HOTGVXAUSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2cnc(C)cn2)C1 ZINC001264454992 1144542026 /nfs/dbraw/zinc/54/20/26/1144542026.db2.gz SNHXUOXSXFLHHY-LSDHHAIUSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cnoc2CC)[C@H]1CC ZINC001264619624 1144579171 /nfs/dbraw/zinc/57/91/71/1144579171.db2.gz BAWBFLGMFMIDSJ-LSDHHAIUSA-N 0 3 321.421 2.022 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC001264635562 1144582997 /nfs/dbraw/zinc/58/29/97/1144582997.db2.gz FJBBGPPSIUOCJA-KRWDZBQOSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(OC)cn1 ZINC001264743081 1144604669 /nfs/dbraw/zinc/60/46/69/1144604669.db2.gz RMVRWOKZHSFADU-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccnn1C ZINC001265079046 1144638848 /nfs/dbraw/zinc/63/88/48/1144638848.db2.gz DPIOOPFGZGBUPM-HOCLYGCPSA-N 0 3 304.438 2.246 20 30 DEEDHN CCO[C@@H](CN1CCC[C@@H](NC(=O)C#CC(C)C)C1)C1CC1 ZINC001265213338 1144668224 /nfs/dbraw/zinc/66/82/24/1144668224.db2.gz PWSSXWBBRQUOGG-SJORKVTESA-N 0 3 306.450 2.042 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001265219698 1144669695 /nfs/dbraw/zinc/66/96/95/1144669695.db2.gz AHVTXFMAEHFNKF-GDBMZVCRSA-N 0 3 300.418 2.155 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001265336113 1144695440 /nfs/dbraw/zinc/69/54/40/1144695440.db2.gz QNAWZPLEUDDZOZ-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCOC1 ZINC001265415996 1144703072 /nfs/dbraw/zinc/70/30/72/1144703072.db2.gz JPYBLYMEYAZCFA-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001265449369 1144704854 /nfs/dbraw/zinc/70/48/54/1144704854.db2.gz KSVGLDYYXYYKAA-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](N[C@H](C)c2cnccn2)C1 ZINC001265479859 1144706151 /nfs/dbraw/zinc/70/61/51/1144706151.db2.gz CQGWNIBPXYMBCZ-MGPQQGTHSA-N 0 3 302.422 2.377 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001265680621 1144726866 /nfs/dbraw/zinc/72/68/66/1144726866.db2.gz SLGISZQXGKRUBK-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001265896055 1144751944 /nfs/dbraw/zinc/75/19/44/1144751944.db2.gz PPSJRVFYEMLQLG-QZTJIDSGSA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2snc(Cl)c2Cl)C1 ZINC001265908885 1144755635 /nfs/dbraw/zinc/75/56/35/1144755635.db2.gz WAQNCZDEHDUOFJ-QMMMGPOBSA-N 0 3 318.229 2.277 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2cccc(OCCC)c2)C1 ZINC001265940019 1144764212 /nfs/dbraw/zinc/76/42/12/1144764212.db2.gz IANFUNRLWITIEZ-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCOc1ccccc1F ZINC001265966020 1144771811 /nfs/dbraw/zinc/77/18/11/1144771811.db2.gz HWJSNMACWCQTRC-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cnnn1C ZINC001265998273 1144781057 /nfs/dbraw/zinc/78/10/57/1144781057.db2.gz RORJVUJOIVXVKM-ZBFHGGJFSA-N 0 3 319.453 2.031 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001266008757 1144784570 /nfs/dbraw/zinc/78/45/70/1144784570.db2.gz IZVORLWTVGTPSR-HOTGVXAUSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCN(CCCNC(=O)COc1cc(C)cc(C)c1)C1CC1 ZINC001266174511 1144811631 /nfs/dbraw/zinc/81/16/31/1144811631.db2.gz KVBQARQZZQMUQD-UHFFFAOYSA-N 0 3 314.429 2.286 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C1=COCCC1 ZINC001279298218 1144820476 /nfs/dbraw/zinc/82/04/76/1144820476.db2.gz ZVBMKNKUHDDLHJ-UHFFFAOYSA-N 0 3 312.413 2.322 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)[C@H](C)COC)CC2)CC1 ZINC001279359890 1144821144 /nfs/dbraw/zinc/82/11/44/1144821144.db2.gz BAYLLXXQEXAIOQ-CVEARBPZSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCCC(=O)NCC1=CCN(CCc2ccnn2C)CC1 ZINC001279621018 1144826022 /nfs/dbraw/zinc/82/60/22/1144826022.db2.gz ALIHCNXQFKLEMP-UHFFFAOYSA-N 0 3 316.449 2.067 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001280438882 1144839642 /nfs/dbraw/zinc/83/96/42/1144839642.db2.gz BNTPVMCTNSMUOI-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001316603891 1144843170 /nfs/dbraw/zinc/84/31/70/1144843170.db2.gz XMHQOQRPLYSJHK-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCNC1(CNC(=O)C2(c3ccccc3F)CC2)CCC1 ZINC001280525479 1144843820 /nfs/dbraw/zinc/84/38/20/1144843820.db2.gz KJDGMYDLMPAYAI-UHFFFAOYSA-N 0 3 300.377 2.119 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001280710524 1144850258 /nfs/dbraw/zinc/85/02/58/1144850258.db2.gz RGUKVGQTOMBENG-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC001280745988 1144852344 /nfs/dbraw/zinc/85/23/44/1144852344.db2.gz GTTGBONYJSIKII-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001281042428 1144869876 /nfs/dbraw/zinc/86/98/76/1144869876.db2.gz TZRFWMYGCRXLBH-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001281064718 1144870817 /nfs/dbraw/zinc/87/08/17/1144870817.db2.gz ZYILJQCCPRLNDS-GOSISDBHSA-N 0 3 314.429 2.142 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)C[C@@H](C)n2cccn2)C(C)(C)C1 ZINC001281573075 1144898017 /nfs/dbraw/zinc/89/80/17/1144898017.db2.gz ZWWOUJDTCFXUJD-HUUCEWRRSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)C1 ZINC001281588356 1144898766 /nfs/dbraw/zinc/89/87/66/1144898766.db2.gz KLROZJGTMFBKPH-MRXNPFEDSA-N 0 3 321.509 2.463 20 30 DEEDHN Cc1cccnc1CN[C@H]1C[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001316615002 1144917491 /nfs/dbraw/zinc/91/74/91/1144917491.db2.gz LHLAVAOHBLPNKA-IYBDPMFKSA-N 0 3 313.445 2.424 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1cn[nH]c1 ZINC001281912623 1144919161 /nfs/dbraw/zinc/91/91/61/1144919161.db2.gz PWMCSRCYNOBZGY-IEBWSBKVSA-N 0 3 324.428 2.290 20 30 DEEDHN COCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001282097797 1144973574 /nfs/dbraw/zinc/97/35/74/1144973574.db2.gz NDXRCELZOCSFAF-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1(CC)CCCCC1 ZINC001282241505 1145020912 /nfs/dbraw/zinc/02/09/12/1145020912.db2.gz MIYJWWFDBWKCGN-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001282477135 1145075717 /nfs/dbraw/zinc/07/57/17/1145075717.db2.gz BPDRDTHKZZUCSU-ZDUSSCGKSA-N 0 3 303.406 2.249 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)c1cocc1C ZINC001282647951 1145110314 /nfs/dbraw/zinc/11/03/14/1145110314.db2.gz MEUICQOTKDBELD-OAHLLOKOSA-N 0 3 306.406 2.116 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCc2cccc(OC)c2)C1 ZINC001282724438 1145146064 /nfs/dbraw/zinc/14/60/64/1145146064.db2.gz HAZSSYMAZCPUFU-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN Cc1cc(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)on1 ZINC001283572644 1145528240 /nfs/dbraw/zinc/52/82/40/1145528240.db2.gz NHVLQVNCOZMJAQ-HNNXBMFYSA-N 0 3 311.385 2.085 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)C#CC2CC2)cc1F ZINC001283608585 1145543208 /nfs/dbraw/zinc/54/32/08/1145543208.db2.gz SXRKPQJBTSTOFB-ZDUSSCGKSA-N 0 3 318.392 2.184 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](CO)N[C@H](C)c2ccccc2)cc1 ZINC001283792933 1145648489 /nfs/dbraw/zinc/64/84/89/1145648489.db2.gz QEOVKJJAWMLBAJ-BEFAXECRSA-N 0 3 322.408 2.109 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](CO)N[C@H](C)c1cccc(C)c1 ZINC001283795771 1145649803 /nfs/dbraw/zinc/64/98/03/1145649803.db2.gz HHJMGGIXZSOYTG-SJLPKXTDSA-N 0 3 316.445 2.316 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccn(C)c1 ZINC001283859338 1145672349 /nfs/dbraw/zinc/67/23/49/1145672349.db2.gz DGHGYMZMCIJSLG-APWZRJJASA-N 0 3 321.424 2.269 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1C[C@@H](C)N(C(=O)C#CC(C)C)C1 ZINC001283983865 1145737402 /nfs/dbraw/zinc/73/74/02/1145737402.db2.gz WVWQUPBXFFFUEG-IUODEOHRSA-N 0 3 319.474 2.498 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NCc2cnc(C)nc2)C[C@H]1C ZINC001283984965 1145737688 /nfs/dbraw/zinc/73/76/88/1145737688.db2.gz FVDAFWWKXRWGIV-CJNGLKHVSA-N 0 3 302.422 2.220 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1[nH]nc2ccccc21)C(C)C ZINC001284557311 1145871028 /nfs/dbraw/zinc/87/10/28/1145871028.db2.gz BURUZAAVGRYWMO-UHFFFAOYSA-N 0 3 314.433 2.460 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001284565731 1145871898 /nfs/dbraw/zinc/87/18/98/1145871898.db2.gz RDACDLLMPGUKGW-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN(CCNC(=O)c1sc(C)cc1C)CCOC ZINC001284654881 1145884540 /nfs/dbraw/zinc/88/45/40/1145884540.db2.gz ALFMGNVOMXDULR-UHFFFAOYSA-N 0 3 308.447 2.066 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)CCC2CCC2)CC1 ZINC001284713086 1145894288 /nfs/dbraw/zinc/89/42/88/1145894288.db2.gz SSYXJVKUZLDVKV-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001284720424 1145895088 /nfs/dbraw/zinc/89/50/88/1145895088.db2.gz ZPESBNNJUOTIIM-RDJZCZTQSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)COC2CCC(C)CC2)CC1 ZINC001284730921 1145896942 /nfs/dbraw/zinc/89/69/42/1145896942.db2.gz ANAIUQWFYDPQEG-PQUAAJSLSA-N 0 3 320.477 2.432 20 30 DEEDHN CC(C)=CC(=O)N(C)CCOCCNCC#Cc1ccccc1 ZINC001284855503 1145939532 /nfs/dbraw/zinc/93/95/32/1145939532.db2.gz NMBHUOMYJFAHSG-UHFFFAOYSA-N 0 3 314.429 2.069 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CCCCO2)c(F)c1 ZINC001285005368 1146007245 /nfs/dbraw/zinc/00/72/45/1146007245.db2.gz TZXAPEDXUMHQAL-MRXNPFEDSA-N 0 3 306.381 2.287 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC001365852262 1146028798 /nfs/dbraw/zinc/02/87/98/1146028798.db2.gz SKHNUDJVPZRWQM-MJBXVCDLSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001285197784 1146046570 /nfs/dbraw/zinc/04/65/70/1146046570.db2.gz SEFMUJDELNGPIB-VKJFTORMSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001285930540 1146363331 /nfs/dbraw/zinc/36/33/31/1146363331.db2.gz QDBRBJKXCHFIPX-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001290690199 1146840218 /nfs/dbraw/zinc/84/02/18/1146840218.db2.gz CSMNSSRPCOUEBA-HLLBOEOZSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001365921274 1146910360 /nfs/dbraw/zinc/91/03/60/1146910360.db2.gz AZFSVBDARDMTHF-STQMWFEESA-N 0 3 308.813 2.202 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001491953657 1147017265 /nfs/dbraw/zinc/01/72/65/1147017265.db2.gz YIAINAAGNKTIGK-BZUAXINKSA-N 0 3 300.402 2.329 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2c3ccccc3nn2C)C1 ZINC001491956390 1147018679 /nfs/dbraw/zinc/01/86/79/1147018679.db2.gz MZOLUBOLQMANQQ-HNNXBMFYSA-N 0 3 324.428 2.133 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001366107824 1147059304 /nfs/dbraw/zinc/05/93/04/1147059304.db2.gz DRINMTLSENWVAU-USXUVBGUSA-N 0 3 319.355 2.349 20 30 DEEDHN CC[C@@H](F)CNC[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001366211206 1147118575 /nfs/dbraw/zinc/11/85/75/1147118575.db2.gz DCFYVXWAVPFYLQ-KGLIPLIRSA-N 0 3 306.385 2.219 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001492209339 1147150575 /nfs/dbraw/zinc/15/05/75/1147150575.db2.gz MQQXFMGZXLXQOG-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001366266855 1147183693 /nfs/dbraw/zinc/18/36/93/1147183693.db2.gz UURFWJPXUKGWMU-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001492311692 1147207684 /nfs/dbraw/zinc/20/76/84/1147207684.db2.gz ZNILRYXHGRYZDU-KRWDZBQOSA-N 0 3 302.418 2.428 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCCC(C)=O)C2)CC1 ZINC001316672120 1147215106 /nfs/dbraw/zinc/21/51/06/1147215106.db2.gz YTROKWYOMNBWQI-HNNXBMFYSA-N 0 3 304.434 2.082 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc(Cl)cc1F ZINC001492328374 1147216434 /nfs/dbraw/zinc/21/64/34/1147216434.db2.gz HGDAGSOXTAGXNR-UHFFFAOYSA-N 0 3 314.788 2.343 20 30 DEEDHN CO[C@@H](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001366383147 1147245384 /nfs/dbraw/zinc/24/53/84/1147245384.db2.gz VJOFIBYCXMGVKL-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H](CCNC(=O)[C@@H]1CCCCO1)NCc1ccccc1C#N ZINC001366453577 1147289811 /nfs/dbraw/zinc/28/98/11/1147289811.db2.gz YZIFQZBIQRHAJN-PBHICJAKSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nn(C)c2ccccc12 ZINC001366507400 1147316896 /nfs/dbraw/zinc/31/68/96/1147316896.db2.gz KCQFVGMQGCCXMS-LBPRGKRZSA-N 0 3 320.824 2.424 20 30 DEEDHN C#CCN(C(=O)c1ccc(Cl)c(F)c1N)C1CCN(C)CC1 ZINC001304000065 1147341650 /nfs/dbraw/zinc/34/16/50/1147341650.db2.gz CPHPSTPCNSLSBU-UHFFFAOYSA-N 0 3 323.799 2.231 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC001366618784 1147398388 /nfs/dbraw/zinc/39/83/88/1147398388.db2.gz BUQMPDCKGJWIID-ABAIWWIYSA-N 0 3 324.856 2.266 20 30 DEEDHN CC(C)C(=O)NC[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC001366661191 1147452865 /nfs/dbraw/zinc/45/28/65/1147452865.db2.gz RTAPEMXPCWJBOV-INIZCTEOSA-N 0 3 315.417 2.326 20 30 DEEDHN C=CCc1cc(CN[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O ZINC001308278367 1147463241 /nfs/dbraw/zinc/46/32/41/1147463241.db2.gz CGPTYQPMFMRMPO-HNNXBMFYSA-N 0 3 318.417 2.228 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(Cc1ccc2c(c1)CCC2)C1CC1 ZINC001366736024 1147526511 /nfs/dbraw/zinc/52/65/11/1147526511.db2.gz ABHFPCKGTWQSMO-AWEZNQCLSA-N 0 3 311.429 2.416 20 30 DEEDHN C=C(C)CN(C)CCCNC(=O)c1cc(=O)c2ccccc2o1 ZINC001316863603 1147530333 /nfs/dbraw/zinc/53/03/33/1147530333.db2.gz ISYXHEBKROXJCM-UHFFFAOYSA-N 0 3 314.385 2.421 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001317503554 1147535473 /nfs/dbraw/zinc/53/54/73/1147535473.db2.gz PEQXOYUGAPMHKI-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001317519151 1147545251 /nfs/dbraw/zinc/54/52/51/1147545251.db2.gz QIMILOYEDTUQFR-KBXCAEBGSA-N 0 3 320.408 2.091 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001317034553 1147580563 /nfs/dbraw/zinc/58/05/63/1147580563.db2.gz XFDDKCDUWSPOEG-YFZPWRCSSA-N 0 3 314.857 2.236 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001316809043 1147582380 /nfs/dbraw/zinc/58/23/80/1147582380.db2.gz ZZGCYYZTUBFECT-RDJZCZTQSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001366829106 1147584524 /nfs/dbraw/zinc/58/45/24/1147584524.db2.gz IOUPGLTXSJUCOA-MGPQQGTHSA-N 0 3 322.840 2.094 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001366829106 1147584525 /nfs/dbraw/zinc/58/45/25/1147584525.db2.gz IOUPGLTXSJUCOA-MGPQQGTHSA-N 0 3 322.840 2.094 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(F)(F)F ZINC001316718877 1147590927 /nfs/dbraw/zinc/59/09/27/1147590927.db2.gz IWAMCGAOTFSRMI-KGYLQXTDSA-N 0 3 302.340 2.177 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001316764204 1147595733 /nfs/dbraw/zinc/59/57/33/1147595733.db2.gz OFGPPWOBDJCFDX-MSOLQXFVSA-N 0 3 320.477 2.243 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)C2CC=CC2)CC(C)(C)C1 ZINC001316807800 1147603720 /nfs/dbraw/zinc/60/37/20/1147603720.db2.gz JPWJAPXBEBBNKE-QGZVFWFLSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1cccc(F)c1F)C1CC1 ZINC001316925744 1147632977 /nfs/dbraw/zinc/63/29/77/1147632977.db2.gz WLGIPDWWIIOJCB-UHFFFAOYSA-N 0 3 306.356 2.111 20 30 DEEDHN C#CCN(CCCNC(=O)c1c(C)nn(CC)c1Cl)C1CC1 ZINC001316927441 1147633324 /nfs/dbraw/zinc/63/33/24/1147633324.db2.gz OPHGOUUGHFIKKF-UHFFFAOYSA-N 0 3 322.840 2.082 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001316990307 1147645115 /nfs/dbraw/zinc/64/51/15/1147645115.db2.gz GDPYGDQPJJYDMV-INIZCTEOSA-N 0 3 322.836 2.276 20 30 DEEDHN CC[C@@H](CNC(=O)C(C)C)NCc1cc(C#N)ccc1OC ZINC001367080195 1147645888 /nfs/dbraw/zinc/64/58/88/1147645888.db2.gz QVXLLKYWLRSMJU-HNNXBMFYSA-N 0 3 303.406 2.207 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@](C)(CNCc1ccccc1F)C1CC1 ZINC001367173289 1147660300 /nfs/dbraw/zinc/66/03/00/1147660300.db2.gz VBQDUXLXYXBQHA-PXAZEXFGSA-N 0 3 303.381 2.360 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)c1ccn(C)c1 ZINC001367246860 1147668962 /nfs/dbraw/zinc/66/89/62/1147668962.db2.gz QMZJHPJPZRQMBK-CQSZACIVSA-N 0 3 310.401 2.052 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H]1CCCCN1CCCO)c1ccccc1 ZINC001317178668 1147671843 /nfs/dbraw/zinc/67/18/43/1147671843.db2.gz CYSKSJKOLIFQMU-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001367283381 1147673667 /nfs/dbraw/zinc/67/36/67/1147673667.db2.gz RTRKMSRWVUEZJA-GFCCVEGCSA-N 0 3 312.373 2.010 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)COCCC ZINC001317197499 1147674770 /nfs/dbraw/zinc/67/47/70/1147674770.db2.gz BBKMWOXGSYBCKD-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCc2ccncc2)C1 ZINC001317208130 1147677014 /nfs/dbraw/zinc/67/70/14/1147677014.db2.gz IUPFKFDMSODCFK-SJLPKXTDSA-N 0 3 313.445 2.254 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C(C)(C)F ZINC001367335726 1147680021 /nfs/dbraw/zinc/68/00/21/1147680021.db2.gz OSZKLQSQRNENHJ-NSHDSACASA-N 0 3 309.360 2.382 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccsc1C(F)F ZINC001317280804 1147685532 /nfs/dbraw/zinc/68/55/32/1147685532.db2.gz MIASUCHKSQSRDJ-JTQLQIEISA-N 0 3 316.373 2.043 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001317294792 1147686569 /nfs/dbraw/zinc/68/65/69/1147686569.db2.gz QXZHTTJXGOPMPL-CQSZACIVSA-N 0 3 302.418 2.090 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC001317382527 1147700119 /nfs/dbraw/zinc/70/01/19/1147700119.db2.gz YNXFEHOKHUGRBR-INIZCTEOSA-N 0 3 302.393 2.314 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)Cc1cc[nH]n1 ZINC001317424952 1147705540 /nfs/dbraw/zinc/70/55/40/1147705540.db2.gz GGIGZPKXBZIPSO-CQSZACIVSA-N 0 3 310.829 2.066 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC001317528258 1147720512 /nfs/dbraw/zinc/72/05/12/1147720512.db2.gz QIXUOTJWCCMFPB-QWHCGFSZSA-N 0 3 316.392 2.061 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001317532373 1147721236 /nfs/dbraw/zinc/72/12/36/1147721236.db2.gz JZJCWRJDWFRRLX-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCN(CCNC(=O)c1cc(C(C)(C)C)nn1C)C1CC1 ZINC001317556236 1147724644 /nfs/dbraw/zinc/72/46/44/1147724644.db2.gz DQXQNPAEDXQJGR-UHFFFAOYSA-N 0 3 304.438 2.098 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC001317561880 1147725501 /nfs/dbraw/zinc/72/55/01/1147725501.db2.gz PNPXQHPSSZFDQG-UHFFFAOYSA-N 0 3 316.401 2.228 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)co1 ZINC001367724866 1147733473 /nfs/dbraw/zinc/73/34/73/1147733473.db2.gz BNTCCGBUTXSWOI-JTQLQIEISA-N 0 3 303.387 2.429 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C1(COC)CCC1)c1ccccc1 ZINC001317720874 1147747027 /nfs/dbraw/zinc/74/70/27/1147747027.db2.gz OHMHMWUINYUICC-QGZVFWFLSA-N 0 3 314.429 2.274 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCN1CCN(CCCC)CC1 ZINC001317822260 1147755540 /nfs/dbraw/zinc/75/55/40/1147755540.db2.gz ARAWAHLRWOLBDC-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN Cc1ccc(F)c(CNC[C@H](NC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001367896424 1147767295 /nfs/dbraw/zinc/76/72/95/1147767295.db2.gz QCAASBIVDZZRNU-WBMJQRKESA-N 0 3 303.381 2.278 20 30 DEEDHN N#CCSCC(=O)N[C@H]1CCN(CCCc2ccccc2)C1 ZINC001318235789 1147801977 /nfs/dbraw/zinc/80/19/77/1147801977.db2.gz VDHAOPYGWUQGAN-INIZCTEOSA-N 0 3 317.458 2.066 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001318265636 1147805175 /nfs/dbraw/zinc/80/51/75/1147805175.db2.gz GVAFWMOTYUAPKM-AWEZNQCLSA-N 0 3 321.421 2.153 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001318329683 1147812443 /nfs/dbraw/zinc/81/24/43/1147812443.db2.gz SCEFROFXOXEBFT-IEBWSBKVSA-N 0 3 316.445 2.321 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)c3cccnc3)CC2)ccc1F ZINC001367981678 1147815562 /nfs/dbraw/zinc/81/55/62/1147815562.db2.gz YBLNZJOYMIAPJG-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccncc3)CC2)cc1F ZINC001367983343 1147816508 /nfs/dbraw/zinc/81/65/08/1147816508.db2.gz JNWTYMUMZAZURA-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC2(NCc3ccsc3)CC2)c1 ZINC001367988647 1147819046 /nfs/dbraw/zinc/81/90/46/1147819046.db2.gz DUKWYWVBKIATKH-UHFFFAOYSA-N 0 3 300.387 2.000 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001324892023 1147855842 /nfs/dbraw/zinc/85/58/42/1147855842.db2.gz HEVBCXCIJPCMIB-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cnc(COC)s2)C1 ZINC001324983002 1147864230 /nfs/dbraw/zinc/86/42/30/1147864230.db2.gz DOXPLRFOJASHIG-INIZCTEOSA-N 0 3 323.462 2.307 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2cncs2)CCOCC1 ZINC001325001785 1147866008 /nfs/dbraw/zinc/86/60/08/1147866008.db2.gz FMUWBOSJWRJMCX-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccccc2Cl)C1 ZINC001325153160 1147880844 /nfs/dbraw/zinc/88/08/44/1147880844.db2.gz IHHHCMTWESYHKE-INIZCTEOSA-N 0 3 308.809 2.083 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CCOC1CCC1 ZINC001325901539 1148017522 /nfs/dbraw/zinc/01/75/22/1148017522.db2.gz XNDSOIUXSDIMDO-MSOLQXFVSA-N 0 3 318.461 2.280 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cnn(C)c1C ZINC001326444500 1148101199 /nfs/dbraw/zinc/10/11/99/1148101199.db2.gz CNONNXVFJYHYGK-UHFFFAOYSA-N 0 3 312.417 2.276 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCO[C@@H]1C ZINC001326495285 1148115724 /nfs/dbraw/zinc/11/57/24/1148115724.db2.gz RISSTCJSIBUGMS-PBHICJAKSA-N 0 3 302.418 2.346 20 30 DEEDHN COCC#CCN1CCC2(CN(C(=O)CCCC(C)C)C2)CC1 ZINC001326598829 1148156970 /nfs/dbraw/zinc/15/69/70/1148156970.db2.gz LKJJMLJCOMOFGX-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(Cc2cccnc2C)CC1 ZINC001327111021 1148327992 /nfs/dbraw/zinc/32/79/92/1148327992.db2.gz NAOKHNQIRGLULD-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN CN(CCNC(=O)N1CCC[C@](C)(C#N)C1)Cc1ccccc1 ZINC000612114730 361750645 /nfs/dbraw/zinc/75/06/45/361750645.db2.gz XOXRXOHBAUPCGW-GOSISDBHSA-N 0 3 314.433 2.454 20 30 DEEDHN C#CCOc1ccccc1CN[C@H]1CCCN(c2ccnn2C)C1 ZINC000278475721 214176789 /nfs/dbraw/zinc/17/67/89/214176789.db2.gz IIVOUPUCNDZRAP-KRWDZBQOSA-N 0 3 324.428 2.191 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H]1C1CC1 ZINC000625135903 365656314 /nfs/dbraw/zinc/65/63/14/365656314.db2.gz MPCZOHYLIFQINL-KRWDZBQOSA-N 0 3 308.381 2.160 20 30 DEEDHN C[C@@H](N(C)CC#CCN1C(=O)c2ccccc2C1=O)C1(C)CC1 ZINC000625218534 365684778 /nfs/dbraw/zinc/68/47/78/365684778.db2.gz YBTYCBQFKBQPGO-CQSZACIVSA-N 0 3 310.397 2.406 20 30 DEEDHN C#CCOc1ccccc1CNC1CCN(C(=O)OCC)CC1 ZINC000079122240 185159507 /nfs/dbraw/zinc/15/95/07/185159507.db2.gz BOFZJRBLLOAPPL-UHFFFAOYSA-N 0 3 316.401 2.409 20 30 DEEDHN C=C(C)COCCN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090451429 185297433 /nfs/dbraw/zinc/29/74/33/185297433.db2.gz LCLMNQIREXAVSP-CYBMUJFWSA-N 0 3 312.435 2.301 20 30 DEEDHN Cc1nn(C)c(N2CCN(C[C@H](C)CC(C)C)CC2)c1C#N ZINC000337183401 282270908 /nfs/dbraw/zinc/27/09/08/282270908.db2.gz BUIVOFGGTVTGFI-CQSZACIVSA-N 0 3 303.454 2.404 20 30 DEEDHN CN(C[C@H](O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000336876734 529959545 /nfs/dbraw/zinc/95/95/45/529959545.db2.gz UXZRJSPITZVBPQ-GBESFXJTSA-N 0 3 313.445 2.213 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000093797281 539432073 /nfs/dbraw/zinc/43/20/73/539432073.db2.gz FNKAHYNULUVTRZ-UHFFFAOYSA-N 0 3 316.449 2.309 20 30 DEEDHN CN(C)C1(CNC(=O)c2cc3ccccc3n2CC#N)CCC1 ZINC000615141740 362543678 /nfs/dbraw/zinc/54/36/78/362543678.db2.gz XIGRTZGADKQOGO-UHFFFAOYSA-N 0 3 310.401 2.379 20 30 DEEDHN C#CCCOc1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000279667791 215046022 /nfs/dbraw/zinc/04/60/22/215046022.db2.gz HGDIHNMQZHSBFG-UHFFFAOYSA-N 0 3 321.442 2.146 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000286871173 219203669 /nfs/dbraw/zinc/20/36/69/219203669.db2.gz CPYVOAXGRKMLBB-VIFPVBQESA-N 0 3 312.320 2.231 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC(C2CC2)C2CC2)cc1 ZINC000148110782 186042887 /nfs/dbraw/zinc/04/28/87/186042887.db2.gz ZWSHCAIQIFFCMI-UHFFFAOYSA-N 0 3 304.415 2.110 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617346427 363102216 /nfs/dbraw/zinc/10/22/16/363102216.db2.gz VEWSLUKSDYBSLQ-ZDUSSCGKSA-N 0 3 303.406 2.249 20 30 DEEDHN Cc1ccc(N2CCC[C@@H](NCc3cc(C#N)cs3)C2)nn1 ZINC000331639937 233936855 /nfs/dbraw/zinc/93/68/55/233936855.db2.gz RTQCSJRSXQTIAF-CQSZACIVSA-N 0 3 313.430 2.477 20 30 DEEDHN CN1CCC[C@@H]1C(=O)NCC(C)(C)CNC(=O)[C@@H]1CCCN1C ZINC000329412916 539919975 /nfs/dbraw/zinc/91/99/75/539919975.db2.gz CEQLYRJTRCQPFK-OKILXGFUSA-N 0 3 324.469 2.114 20 30 DEEDHN CCc1noc(C)c1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000329102110 539914468 /nfs/dbraw/zinc/91/44/68/539914468.db2.gz NEKVEMBJHISHBY-UHFFFAOYSA-N 0 3 321.421 2.495 20 30 DEEDHN O=C(CNC(=O)N[C@@H]1CCN(C2CC2)C1)NC1CCCCC1 ZINC000329436468 539921028 /nfs/dbraw/zinc/92/10/28/539921028.db2.gz JDJHKSLAEIDEOM-CYBMUJFWSA-N 0 3 308.426 2.016 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1F ZINC000331927625 234287065 /nfs/dbraw/zinc/28/70/65/234287065.db2.gz MJZMZMQTIJHXHZ-OIISXLGYSA-N 0 3 304.365 2.059 20 30 DEEDHN COc1ccc([C@H](O)CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174258244 198311869 /nfs/dbraw/zinc/31/18/69/198311869.db2.gz BPNPSIPKWIGZJI-QGZVFWFLSA-N 0 3 312.369 2.399 20 30 DEEDHN C[C@@H](NC(=O)NCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000045196248 354251657 /nfs/dbraw/zinc/25/16/57/354251657.db2.gz KXWGBVBBHKJRRE-CQSZACIVSA-N 0 3 300.406 2.404 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000050026518 354366214 /nfs/dbraw/zinc/36/62/14/354366214.db2.gz GJEGGGOLWFAYAB-UHFFFAOYSA-N 0 3 322.311 2.292 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000055935575 354516643 /nfs/dbraw/zinc/51/66/43/354516643.db2.gz STKANFDVFGIDKH-SFHVURJKSA-N 0 3 322.497 2.095 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000057171532 354559639 /nfs/dbraw/zinc/55/96/39/354559639.db2.gz BAEPYCPTVABLRH-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN C=CCc1cc(C(=O)NCCN(C)C2CC2)cc(OC)c1OC ZINC000063117362 354639950 /nfs/dbraw/zinc/63/99/50/354639950.db2.gz WNOCZFPGSJNDLE-UHFFFAOYSA-N 0 3 318.417 2.256 20 30 DEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000060278057 354609609 /nfs/dbraw/zinc/60/96/09/354609609.db2.gz KHXCQSHMIFKYRN-INIZCTEOSA-N 0 3 316.405 2.133 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccnc1 ZINC000065931203 354695169 /nfs/dbraw/zinc/69/51/69/354695169.db2.gz HVJAXHRKNFFKJY-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000066663003 354727757 /nfs/dbraw/zinc/72/77/57/354727757.db2.gz XKYGSFCYNJDKSW-AWEZNQCLSA-N 0 3 320.437 2.460 20 30 DEEDHN C=CCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000076778728 355167947 /nfs/dbraw/zinc/16/79/47/355167947.db2.gz ASZMMOKMPMISMO-MRXNPFEDSA-N 0 3 306.406 2.281 20 30 DEEDHN N#CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000595591192 358494511 /nfs/dbraw/zinc/49/45/11/358494511.db2.gz KCARMQDDNWPIQC-ZBFHGGJFSA-N 0 3 304.438 2.339 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H]1[C@H](C)O ZINC000077283367 355195107 /nfs/dbraw/zinc/19/51/07/355195107.db2.gz VNXJDCHDQCZHIY-ZFWWWQNUSA-N 0 3 304.390 2.181 20 30 DEEDHN C=CCc1cc(C(=O)NC2CCN(C)CC2)cc(OC)c1OC ZINC000078378355 355257830 /nfs/dbraw/zinc/25/78/30/355257830.db2.gz MKUZZKSGOUOCRH-UHFFFAOYSA-N 0 3 318.417 2.256 20 30 DEEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ccnc(C#N)n1 ZINC000390864632 540135003 /nfs/dbraw/zinc/13/50/03/540135003.db2.gz NZFULTVTMKNHGR-INIZCTEOSA-N 0 3 321.428 2.483 20 30 DEEDHN N#CCCn1cc(CN2CC[C@H](CO)C2)c(-c2ccccc2)n1 ZINC000092763271 355650086 /nfs/dbraw/zinc/65/00/86/355650086.db2.gz FBYYSDIRXOTQIF-HNNXBMFYSA-N 0 3 310.401 2.278 20 30 DEEDHN Cc1cscc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000094881032 355696273 /nfs/dbraw/zinc/69/62/73/355696273.db2.gz YEDGMCOGIFQRIA-HNNXBMFYSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000182294563 356119509 /nfs/dbraw/zinc/11/95/09/356119509.db2.gz VEGNYWKLUPGDTG-GDBMZVCRSA-N 0 3 300.406 2.282 20 30 DEEDHN N#Cc1ccc(CNCC2(O)CCOCC2)c(C(F)(F)F)c1 ZINC000352831778 283144327 /nfs/dbraw/zinc/14/43/27/283144327.db2.gz CEXUCNHQZNDBFF-UHFFFAOYSA-N 0 3 314.307 2.208 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(C2)CCOCC3)cc1 ZINC000280557268 283149180 /nfs/dbraw/zinc/14/91/80/283149180.db2.gz UTVWXFQKAVNJHG-QGZVFWFLSA-N 0 3 323.396 2.270 20 30 DEEDHN COc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000321682111 356449959 /nfs/dbraw/zinc/44/99/59/356449959.db2.gz WQKAMFZRRCZXRT-MRXNPFEDSA-N 0 3 312.369 2.096 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CN1C1CC1 ZINC000578061610 356754646 /nfs/dbraw/zinc/75/46/46/356754646.db2.gz VWDGXQXEFBAMII-QWRGUYRKSA-N 0 3 304.419 2.044 20 30 DEEDHN C=CCN(CCC(=O)NC(=O)Nc1ccccc1)[C@@H](C)COC ZINC000595647873 358512035 /nfs/dbraw/zinc/51/20/35/358512035.db2.gz RBSSECOXPUPXKJ-AWEZNQCLSA-N 0 3 319.405 2.248 20 30 DEEDHN Cc1nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1C#N ZINC000579628491 357007241 /nfs/dbraw/zinc/00/72/41/357007241.db2.gz UNFDZWHLPNFSHB-GDZNZVCISA-N 0 3 312.417 2.064 20 30 DEEDHN CCCC(=O)Nc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000579702116 357017018 /nfs/dbraw/zinc/01/70/18/357017018.db2.gz ZVHISBFWMIBSKH-HNNXBMFYSA-N 0 3 316.405 2.063 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000581186731 357145045 /nfs/dbraw/zinc/14/50/45/357145045.db2.gz YMGRDQWMGIBQEU-DJIMGWMZSA-N 0 3 312.369 2.231 20 30 DEEDHN CCCN(CCN1CCCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000352892318 283242335 /nfs/dbraw/zinc/24/23/35/283242335.db2.gz JOZILLITENAUPN-UHFFFAOYSA-N 0 3 320.481 2.137 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC=CCC2)cc1 ZINC000588289016 357405522 /nfs/dbraw/zinc/40/55/22/357405522.db2.gz JKVMTGLEOXLVBF-GFCCVEGCSA-N 0 3 319.386 2.166 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)[C@H](c1ccccc1)N(C)C ZINC000588721170 357419866 /nfs/dbraw/zinc/41/98/66/357419866.db2.gz RSOBUFARNFTJPU-YSVLISHTSA-N 0 3 318.396 2.325 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)c1ccco1 ZINC000588724726 357420084 /nfs/dbraw/zinc/42/00/84/357420084.db2.gz AFSHAIRUJIECPI-ZENOOKHLSA-N 0 3 322.384 2.356 20 30 DEEDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000588821935 357425878 /nfs/dbraw/zinc/42/58/78/357425878.db2.gz RVHUCEGPVVTUBI-GOEBONIOSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)CCCCCC#N)C[C@@H](C)O1 ZINC000589840203 357500390 /nfs/dbraw/zinc/50/03/90/357500390.db2.gz ZCTFKTLTLOPFHS-HZPDHXFCSA-N 0 3 309.454 2.466 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCC1(F)F ZINC000589276240 357460668 /nfs/dbraw/zinc/46/06/68/357460668.db2.gz OEQMBGNTOHBXEF-UKRRQHHQSA-N 0 3 324.371 2.469 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000589449735 357470801 /nfs/dbraw/zinc/47/08/01/357470801.db2.gz TUVKQLBVVXSTIZ-PBHICJAKSA-N 0 3 320.396 2.346 20 30 DEEDHN N#Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000589583176 357480536 /nfs/dbraw/zinc/48/05/36/357480536.db2.gz NMEPJHXQLIPRHJ-OAHLLOKOSA-N 0 3 316.361 2.132 20 30 DEEDHN N#CC1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000590482060 357550204 /nfs/dbraw/zinc/55/02/04/357550204.db2.gz SOAJJICNTZWXOS-OAHLLOKOSA-N 0 3 319.355 2.126 20 30 DEEDHN N#CC1(CCN2CCC[C@@H](N3CCNC3=O)C2)CCCCC1 ZINC000591014686 357661278 /nfs/dbraw/zinc/66/12/78/357661278.db2.gz CHSYUXAYCCDBQO-OAHLLOKOSA-N 0 3 304.438 2.340 20 30 DEEDHN C[C@H]1CN(C(=O)NCC2(C#N)CCC2)CCN(C2CCC2)C1 ZINC000591414695 357719028 /nfs/dbraw/zinc/71/90/28/357719028.db2.gz NBERHUYHFKWKBE-CQSZACIVSA-N 0 3 304.438 2.196 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000591615724 357743825 /nfs/dbraw/zinc/74/38/25/357743825.db2.gz SZTFDHBZZHSRBT-CABCVRRESA-N 0 3 303.431 2.324 20 30 DEEDHN CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](N)CCCC#N ZINC000592218657 357853843 /nfs/dbraw/zinc/85/38/43/357853843.db2.gz OIVYARSKCMNISM-HOTGVXAUSA-N 0 3 314.433 2.265 20 30 DEEDHN N#CCCC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000592135840 357837034 /nfs/dbraw/zinc/83/70/34/357837034.db2.gz BIPKUBWYJXCHEB-QGZVFWFLSA-N 0 3 313.401 2.314 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C)ccc2OC)CC1 ZINC000592494831 357885991 /nfs/dbraw/zinc/88/59/91/357885991.db2.gz GVZJEKDAQJSUNY-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN COC(=O)[C@H]1CCCCCC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000276748649 213083353 /nfs/dbraw/zinc/08/33/53/213083353.db2.gz KLKAJVMSXHHOSZ-JKSUJKDBSA-N 0 3 303.406 2.498 20 30 DEEDHN COc1ccc(C[C@@H](C)CN2CC[C@](O)(CC#N)C2)cc1F ZINC000592523060 357894408 /nfs/dbraw/zinc/89/44/08/357894408.db2.gz VHIBEEAHORGWAZ-CXAGYDPISA-N 0 3 306.381 2.363 20 30 DEEDHN Cc1oc([N-]C(=O)C[NH2+][C@H](C)C2CCOCC2)c(C#N)c1C ZINC000179854099 199088611 /nfs/dbraw/zinc/08/86/11/199088611.db2.gz QRVKBUJDFZNUPU-LLVKDONJSA-N 0 3 305.378 2.111 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000593281114 358047551 /nfs/dbraw/zinc/04/75/51/358047551.db2.gz FZUCTYYZMYZANZ-KBRIMQKVSA-N 0 3 311.385 2.266 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000593881760 358163966 /nfs/dbraw/zinc/16/39/66/358163966.db2.gz ABHPPMMUOMWMTM-GOSISDBHSA-N 0 3 324.428 2.185 20 30 DEEDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594004195 358188079 /nfs/dbraw/zinc/18/80/79/358188079.db2.gz XJBSSRWPWLQCEW-QAVLVDEHSA-N 0 3 321.465 2.055 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000594424818 358266350 /nfs/dbraw/zinc/26/63/50/358266350.db2.gz CMZJGTADHNHSIT-SNVBAGLBSA-N 0 3 311.288 2.358 20 30 DEEDHN CN(CCOc1ccccc1F)C(=O)[C@H](N)CCCCC#N ZINC000594429500 358268188 /nfs/dbraw/zinc/26/81/88/358268188.db2.gz QOKDHRRJJZPTKZ-CQSZACIVSA-N 0 3 307.369 2.074 20 30 DEEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000594445490 358273579 /nfs/dbraw/zinc/27/35/79/358273579.db2.gz GLYJRAVVPIKCOW-AWEZNQCLSA-N 0 3 318.377 2.357 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000594445800 358274064 /nfs/dbraw/zinc/27/40/64/358274064.db2.gz MGWTZBMASWMXEB-QWHCGFSZSA-N 0 3 307.781 2.301 20 30 DEEDHN COc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1OC(F)F ZINC000595259910 358407481 /nfs/dbraw/zinc/40/74/81/358407481.db2.gz QJXBXHPMCZYWDW-JTQLQIEISA-N 0 3 313.304 2.256 20 30 DEEDHN CN(c1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595258590 358407617 /nfs/dbraw/zinc/40/76/17/358407617.db2.gz DDLPZCNOTMBITN-DLBZAZTESA-N 0 3 314.433 2.135 20 30 DEEDHN CN1CCC[C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618811658 363608954 /nfs/dbraw/zinc/60/89/54/363608954.db2.gz AQSUYCOIFFQFMO-PBHICJAKSA-N 0 3 312.417 2.187 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000618816238 363611628 /nfs/dbraw/zinc/61/16/28/363611628.db2.gz KMSZYGTWHNLNKM-FUHWJXTLSA-N 0 3 324.428 2.329 20 30 DEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccc(C#N)cc1OC ZINC000595897188 358574719 /nfs/dbraw/zinc/57/47/19/358574719.db2.gz ASXQXZFFAQBATG-OSRSDYAFSA-N 0 3 314.385 2.244 20 30 DEEDHN CN(C)C[C@H](CO)Nc1c(C#N)cnc2c(Cl)cccc21 ZINC000596245486 358651220 /nfs/dbraw/zinc/65/12/20/358651220.db2.gz ZTRTVAQDFOCETG-LLVKDONJSA-N 0 3 304.781 2.094 20 30 DEEDHN N#Cc1cnccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596435990 358686371 /nfs/dbraw/zinc/68/63/71/358686371.db2.gz GSDFPOVFZUYJPJ-UHFFFAOYSA-N 0 3 307.401 2.094 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000618854406 363617733 /nfs/dbraw/zinc/61/77/33/363617733.db2.gz WFNMELAGXDWIBZ-FUHWJXTLSA-N 0 3 324.428 2.425 20 30 DEEDHN C=CCc1cc(CN[C@H]2C[C@@H](C(=O)OC)C2)cc(OC)c1O ZINC000597221578 358858611 /nfs/dbraw/zinc/85/86/11/358858611.db2.gz RLJHNVKCIKHZGK-OKILXGFUSA-N 0 3 305.374 2.171 20 30 DEEDHN COc1ccc(CNC2([C@H](C)O)CC2)cc1OCCCC#N ZINC000597234019 358863795 /nfs/dbraw/zinc/86/37/95/358863795.db2.gz GCMIOWQOOZYFKX-ZDUSSCGKSA-N 0 3 304.390 2.381 20 30 DEEDHN COC(=O)COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597176298 358843491 /nfs/dbraw/zinc/84/34/91/358843491.db2.gz HKNQNILMCMZBED-AWEZNQCLSA-N 0 3 302.374 2.364 20 30 DEEDHN CCC(O)(CC)C(C)(C)CNCc1cnc2c(C#N)cnn2c1 ZINC000597182815 358846998 /nfs/dbraw/zinc/84/69/98/358846998.db2.gz OWOMKZJXEWMNIH-UHFFFAOYSA-N 0 3 315.421 2.268 20 30 DEEDHN CN(C)CCn1nccc1NC(=O)CC1(C#N)CCCCC1 ZINC000597700762 358982809 /nfs/dbraw/zinc/98/28/09/358982809.db2.gz XFIQLOPNGDQCMM-UHFFFAOYSA-N 0 3 303.410 2.247 20 30 DEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ncc(C#N)cc1Cl)C2 ZINC000597714764 358986472 /nfs/dbraw/zinc/98/64/72/358986472.db2.gz JFCNAAYZFTWZTJ-INIZCTEOSA-N 0 3 318.808 2.165 20 30 DEEDHN CN(Cc1ccc2c(c1)OCCO2)C[C@H](O)CC(C)(C)C#N ZINC000598591076 359252990 /nfs/dbraw/zinc/25/29/90/359252990.db2.gz ZGCRFURLLYERNT-CQSZACIVSA-N 0 3 304.390 2.190 20 30 DEEDHN CCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1OC ZINC000598700180 359296972 /nfs/dbraw/zinc/29/69/72/359296972.db2.gz LRZCEZMHHWCFSJ-CQSZACIVSA-N 0 3 306.406 2.484 20 30 DEEDHN CN1CCN(C)c2cc(NC[C@@H](O)CC(C)(C)C#N)ccc2C1 ZINC000598725447 359306409 /nfs/dbraw/zinc/30/64/09/359306409.db2.gz FITBMFSYKZSVKK-INIZCTEOSA-N 0 3 316.449 2.281 20 30 DEEDHN COC(=O)CCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000599261032 359444098 /nfs/dbraw/zinc/44/40/98/359444098.db2.gz KCCMFBLNPWEVNP-UHFFFAOYSA-N 0 3 315.417 2.019 20 30 DEEDHN CC(=O)NC[C@@H]1CCCCN1CCCOc1cccc(C#N)c1 ZINC000599699397 359578738 /nfs/dbraw/zinc/57/87/38/359578738.db2.gz FTFUFCDMMUEZPN-KRWDZBQOSA-N 0 3 315.417 2.318 20 30 DEEDHN CSC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000187819807 200161547 /nfs/dbraw/zinc/16/15/47/200161547.db2.gz GTJDVZCRDIAKBJ-CQSZACIVSA-N 0 3 306.431 2.125 20 30 DEEDHN COc1cccc2c1OCCC[C@@H]2NC1CCN(CC#N)CC1 ZINC000601267348 359987063 /nfs/dbraw/zinc/98/70/63/359987063.db2.gz KGBLAKKTKXRADJ-INIZCTEOSA-N 0 3 315.417 2.486 20 30 DEEDHN CC[C@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000601819106 360161388 /nfs/dbraw/zinc/16/13/88/360161388.db2.gz SLONXPBDDOJSIS-WMZOPIPTSA-N 0 3 311.385 2.004 20 30 DEEDHN Cc1ccc(CN2CC[C@H](NC(=O)N(C)C[C@H](C)C#N)C2)cc1 ZINC000602406514 360359193 /nfs/dbraw/zinc/35/91/93/360359193.db2.gz RIIZBCUOHGLLCL-WBVHZDCISA-N 0 3 314.433 2.370 20 30 DEEDHN Cc1ccc(CN2CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)C2)cc1 ZINC000602406513 360359731 /nfs/dbraw/zinc/35/97/31/360359731.db2.gz RIIZBCUOHGLLCL-RDJZCZTQSA-N 0 3 314.433 2.370 20 30 DEEDHN CCC(CC)[C@H](CNCc1cccc(C#N)n1)N1CCOCC1 ZINC000602512281 360411375 /nfs/dbraw/zinc/41/13/75/360411375.db2.gz SHAJZHOLSZHZMN-SFHVURJKSA-N 0 3 316.449 2.180 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000668724547 540718188 /nfs/dbraw/zinc/71/81/88/540718188.db2.gz DHEMZRLXYZVWGE-SFHVURJKSA-N 0 3 302.418 2.046 20 30 DEEDHN C[C@@H]1OCC[C@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000602771000 360545620 /nfs/dbraw/zinc/54/56/20/360545620.db2.gz BUPOSYCRQDVKCQ-ZFWWWQNUSA-N 0 3 303.381 2.244 20 30 DEEDHN Cn1ccnc1[C@@H](NCCc1ccc(C#N)cc1)C(C)(C)CO ZINC000602880481 360606481 /nfs/dbraw/zinc/60/64/81/360606481.db2.gz GGNNYFBLCRFNTA-MRXNPFEDSA-N 0 3 312.417 2.184 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)C1 ZINC000442855006 238086759 /nfs/dbraw/zinc/08/67/59/238086759.db2.gz PGZHNMBXMBXFCD-MRVWCRGKSA-N 0 3 305.809 2.266 20 30 DEEDHN N#Cc1cccc(C(=O)N2CCCN(c3ccncc3)CC2)c1 ZINC000603081469 360693067 /nfs/dbraw/zinc/69/30/67/360693067.db2.gz ALQHERUADBTJGU-UHFFFAOYSA-N 0 3 306.369 2.306 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000669150248 540790157 /nfs/dbraw/zinc/79/01/57/540790157.db2.gz PVFYXNWMBZCHJZ-INWMFGNUSA-N 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/nfs/dbraw/zinc/54/63/45/361546345.db2.gz XHGNAAAXPXQQDW-UHFFFAOYSA-N 0 3 301.390 2.132 20 30 DEEDHN CCc1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1[O-] ZINC000611279371 361569840 /nfs/dbraw/zinc/56/98/40/361569840.db2.gz XZUBUBLHKFOYBY-UHFFFAOYSA-N 0 3 303.406 2.262 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000611205210 361549386 /nfs/dbraw/zinc/54/93/86/361549386.db2.gz NXIRUHXOJOOZFD-UONOGXRCSA-N 0 3 301.390 2.244 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCCO[C@H](c2ccccc2)C1 ZINC000611302542 361576913 /nfs/dbraw/zinc/57/69/13/361576913.db2.gz ZASQDPRLYRMACS-KRWDZBQOSA-N 0 3 315.417 2.212 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCC(=O)NCC(F)(F)F ZINC000611392506 361589183 /nfs/dbraw/zinc/58/91/83/361589183.db2.gz RUUGBNUMKVLDAA-CYBMUJFWSA-N 0 3 311.307 2.204 20 30 DEEDHN CC(C)[C@H](NCc1ccc(F)c(C#N)c1)C(=O)N1CCCC1 ZINC000611395417 361590669 /nfs/dbraw/zinc/59/06/69/361590669.db2.gz LBZVDOZJLCSDFA-INIZCTEOSA-N 0 3 303.381 2.434 20 30 DEEDHN CC[C@@H]1CN(CCOc2ccc(C#N)cc2OC)CCCO1 ZINC000281545959 216374974 /nfs/dbraw/zinc/37/49/74/216374974.db2.gz XEGVROLOPCXJIN-OAHLLOKOSA-N 0 3 304.390 2.447 20 30 DEEDHN C=CCOCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673754265 541140164 /nfs/dbraw/zinc/14/01/64/541140164.db2.gz XUIQUWCHUZNZBO-MRXNPFEDSA-N 0 3 302.418 2.312 20 30 DEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H](O)C1CC1 ZINC000611785713 361682015 /nfs/dbraw/zinc/68/20/15/361682015.db2.gz FDNHLOATFPMLBT-KRWDZBQOSA-N 0 3 310.401 2.161 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)c2ccncc2)CC1 ZINC000674152413 541189092 /nfs/dbraw/zinc/18/90/92/541189092.db2.gz CGRZNLVPLIHHCH-CQSZACIVSA-N 0 3 302.422 2.135 20 30 DEEDHN CC(C)(CO)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000674251280 541196517 /nfs/dbraw/zinc/19/65/17/541196517.db2.gz PWSXNPFBQPVWCO-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1[nH]c(C)nc1C)C(C)C ZINC000621534773 364443263 /nfs/dbraw/zinc/44/32/63/364443263.db2.gz NMFDTDZOTVTXDD-OAHLLOKOSA-N 0 3 304.438 2.455 20 30 DEEDHN C=C(C)CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O ZINC000621999894 364627567 /nfs/dbraw/zinc/62/75/67/364627567.db2.gz WIXCWQITYFVRRR-UHFFFAOYSA-N 0 3 313.401 2.149 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC000623192236 364912283 /nfs/dbraw/zinc/91/22/83/364912283.db2.gz NTNUFETZZKNTPR-CJNGLKHVSA-N 0 3 316.449 2.232 20 30 DEEDHN C#CCOc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091856253 193118057 /nfs/dbraw/zinc/11/80/57/193118057.db2.gz VKPWLVUAYHZRDN-IRXDYDNUSA-N 0 3 303.427 2.405 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn3c(n2)C[C@H](C)CC3)CC1 ZINC000630941724 367924168 /nfs/dbraw/zinc/92/41/68/367924168.db2.gz DQRLVONNKFLMGF-CQSZACIVSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc(CO)n1)C(C)C ZINC000631274202 368115953 /nfs/dbraw/zinc/11/59/53/368115953.db2.gz IHBJHSBFVHECNZ-AWEZNQCLSA-N 0 3 323.462 2.064 20 30 DEEDHN CCO[C@@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000451520812 243058745 /nfs/dbraw/zinc/05/87/45/243058745.db2.gz BXUCNZXNOZLMBN-QGPMSJSTSA-N 0 3 318.417 2.045 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000451599124 243179204 /nfs/dbraw/zinc/17/92/04/243179204.db2.gz NBRBLGAWRCHNFO-UAGQMJEPSA-N 0 3 302.418 2.357 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451597120 243179684 /nfs/dbraw/zinc/17/96/84/243179684.db2.gz GPEAIVMBHSZSNK-FUHWJXTLSA-N 0 3 300.402 2.454 20 30 DEEDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1 ZINC000182342196 296130059 /nfs/dbraw/zinc/13/00/59/296130059.db2.gz ITRSUFNQNFJTRH-CZUORRHYSA-N 0 3 302.374 2.131 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000264625819 204036596 /nfs/dbraw/zinc/03/65/96/204036596.db2.gz CENOUPSZHUWWAT-HOCLYGCPSA-N 0 3 315.417 2.316 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN1CC[C@@H](N2CCCCC2)C1 ZINC000264583457 204010183 /nfs/dbraw/zinc/01/01/83/204010183.db2.gz KDZKHFAPNUJBJS-CQSZACIVSA-N 0 3 318.446 2.118 20 30 DEEDHN CCC(CC)(CCO)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000282465548 217015017 /nfs/dbraw/zinc/01/50/17/217015017.db2.gz NFEYNMILCIAZPM-UHFFFAOYSA-N 0 3 307.394 2.237 20 30 DEEDHN CCN(C)CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000264964275 204308374 /nfs/dbraw/zinc/30/83/74/204308374.db2.gz XCWJJKCDSYFWMP-UHFFFAOYSA-N 0 3 303.406 2.175 20 30 DEEDHN CCOC[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000265077537 204380926 /nfs/dbraw/zinc/38/09/26/204380926.db2.gz QQAQCUMFBLHSHN-DLBZAZTESA-N 0 3 318.417 2.046 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(CCOc1cccc(C#N)c1)CC2 ZINC000265088661 204388159 /nfs/dbraw/zinc/38/81/59/204388159.db2.gz TZSNOKKLMMHJNW-MRXNPFEDSA-N 0 3 314.385 2.212 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266223883 205196349 /nfs/dbraw/zinc/19/63/49/205196349.db2.gz COOMAWYPALQYAE-QGZVFWFLSA-N 0 3 302.418 2.360 20 30 DEEDHN N#CC(C(=O)c1coc(C(N)=O)c1)c1ccc2ccccc2n1 ZINC000680617595 542031513 /nfs/dbraw/zinc/03/15/13/542031513.db2.gz WXAKNKIPJSBOQN-GFCCVEGCSA-N 0 3 305.293 2.417 20 30 DEEDHN C=CCC[C@H](NC(=O)c1ccccc1CN(C)C)C(=O)OCC ZINC000456607719 247305595 /nfs/dbraw/zinc/30/55/95/247305595.db2.gz MRPDKPRDCYISLN-INIZCTEOSA-N 0 3 318.417 2.376 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000458057275 248131058 /nfs/dbraw/zinc/13/10/58/248131058.db2.gz YGOKZNJPKKKKIA-DLBZAZTESA-N 0 3 319.449 2.224 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000681485399 542154706 /nfs/dbraw/zinc/15/47/06/542154706.db2.gz HKKPIQOVIMHLST-OAHLLOKOSA-N 0 3 312.417 2.051 20 30 DEEDHN CN(C)C/C=C\C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000491891143 248973464 /nfs/dbraw/zinc/97/34/64/248973464.db2.gz YOKOGJWVTGMKKH-DAXSKMNVSA-N 0 3 313.401 2.046 20 30 DEEDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCOC1 ZINC000274007840 211266174 /nfs/dbraw/zinc/26/61/74/211266174.db2.gz LLGDVFHWPDXEFJ-JQWIXIFHSA-N 0 3 307.781 2.165 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2csc(CC)n2)CC1 ZINC000106034234 194180714 /nfs/dbraw/zinc/18/07/14/194180714.db2.gz FZBRAUKEWOLGBK-UHFFFAOYSA-N 0 3 307.463 2.405 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)[C@H]2C1 ZINC000537611813 285007078 /nfs/dbraw/zinc/00/70/78/285007078.db2.gz SWCIRCROPXPCGC-NHYWBVRUSA-N 0 3 303.793 2.378 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2C2CCOCC2)cc1 ZINC000538629219 285042148 /nfs/dbraw/zinc/04/21/48/285042148.db2.gz ZYUOPOCVAUEYJA-QGZVFWFLSA-N 0 3 313.401 2.388 20 30 DEEDHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000556798020 291842516 /nfs/dbraw/zinc/84/25/16/291842516.db2.gz CRTNXKOLZUFVCY-JLLWLGSASA-N 0 3 307.444 2.066 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCC[C@H]1O ZINC000270048361 208104022 /nfs/dbraw/zinc/10/40/22/208104022.db2.gz FDXDTIOUPLBJSX-HUUCEWRRSA-N 0 3 304.390 2.038 20 30 DEEDHN N#Cc1cccc(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 ZINC000270093588 208151184 /nfs/dbraw/zinc/15/11/84/208151184.db2.gz XZUZVPWMHLHKHC-WMZOPIPTSA-N 0 3 322.412 2.248 20 30 DEEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc(C#N)cc2)C1 ZINC000539801992 285091989 /nfs/dbraw/zinc/09/19/89/285091989.db2.gz FHHLPPLNNUYMFR-RBUKOAKNSA-N 0 3 319.408 2.315 20 30 DEEDHN COc1cc(OC)cc([C@@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000192878943 533085277 /nfs/dbraw/zinc/08/52/77/533085277.db2.gz JUPZAZJYHHMOIY-JDFRZJQESA-N 0 3 304.390 2.409 20 30 DEEDHN CO/N=C/C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000282991047 533115123 /nfs/dbraw/zinc/11/51/23/533115123.db2.gz NZNKLOXKJQUPOS-VVBXCHJUSA-N 0 3 309.435 2.270 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000329766951 285195356 /nfs/dbraw/zinc/19/53/56/285195356.db2.gz YUFSQKJKGRFDNU-BFYDXBDKSA-N 0 3 309.454 2.322 20 30 DEEDHN C=C(C)COCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000151469755 196684872 /nfs/dbraw/zinc/68/48/72/196684872.db2.gz NHCVECOOZPAZEC-MRXNPFEDSA-N 0 3 309.454 2.239 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289721355 221177960 /nfs/dbraw/zinc/17/79/60/221177960.db2.gz CZQXKNNEPCEAJA-CVEARBPZSA-N 0 3 316.792 2.389 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1OC ZINC001212187405 781979268 /nfs/dbraw/zinc/97/92/68/781979268.db2.gz RRPFLNNRCQMUAE-IAGOWNOFSA-N 0 3 306.450 2.186 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CCN1C ZINC000330916942 533603607 /nfs/dbraw/zinc/60/36/07/533603607.db2.gz VRNJJTNNIHRDPH-OCCSQVGLSA-N 0 3 303.431 2.249 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](CNCc2csc(C)n2)[C@H](C)C1 ZINC001106056719 781994897 /nfs/dbraw/zinc/99/48/97/781994897.db2.gz CVIIZXMJBUWAKT-UKRRQHHQSA-N 0 3 319.474 2.439 20 30 DEEDHN COC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1C ZINC000331151746 533648403 /nfs/dbraw/zinc/64/84/03/533648403.db2.gz ODAGUOSSLWVASV-BXKDBHETSA-N 0 3 307.394 2.205 20 30 DEEDHN CCC1(NCc2cc(C)on2)CCN(C(=O)C#CC2CC2)CC1 ZINC001327449398 1148557691 /nfs/dbraw/zinc/55/76/91/1148557691.db2.gz OMAXSYLBVOIOLB-UHFFFAOYSA-N 0 3 315.417 2.257 20 30 DEEDHN N#Cc1ccc([C@@H](NCCc2c[nH]c3ccccc23)C(N)=O)cc1 ZINC000360060005 133159759 /nfs/dbraw/zinc/15/97/59/133159759.db2.gz KHOFIOCFMPKCIP-GOSISDBHSA-N 0 3 318.380 2.398 20 30 DEEDHN CC(C)C[C@@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000563149088 292034665 /nfs/dbraw/zinc/03/46/65/292034665.db2.gz DULONWPSCHMSKE-JKSUJKDBSA-N 0 3 313.405 2.284 20 30 DEEDHN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)c(C#N)cc1[N+](=O)[O-] ZINC000563795318 292073357 /nfs/dbraw/zinc/07/33/57/292073357.db2.gz LAXMJKAFEBJLSN-KGLIPLIRSA-N 0 3 300.362 2.448 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2n(n1)CCCO2 ZINC000329882572 404480966 /nfs/dbraw/zinc/48/09/66/404480966.db2.gz QBJLPDDAJSPJPP-OLZOCXBDSA-N 0 3 306.410 2.091 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)c2sccc2C#N)C[C@H](C)O1 ZINC000083025303 144585867 /nfs/dbraw/zinc/58/58/67/144585867.db2.gz BUQFDHMPJANEIT-STQMWFEESA-N 0 3 321.446 2.239 20 30 DEEDHN Cn1cc(CNCCNC(=O)CC2CCCCC2)cc1C#N ZINC000191040861 145052256 /nfs/dbraw/zinc/05/22/56/145052256.db2.gz JIWAPTXQWISUNM-UHFFFAOYSA-N 0 3 302.422 2.073 20 30 DEEDHN CN(C[C@@H]1CCCN1C)c1ncc(Br)cc1C#N ZINC000336791569 145397348 /nfs/dbraw/zinc/39/73/48/145397348.db2.gz NYXPCXNMHTVUFL-LBPRGKRZSA-N 0 3 309.211 2.246 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000358490720 147144144 /nfs/dbraw/zinc/14/41/44/147144144.db2.gz DBDLIPUZCWBXLD-ZDUSSCGKSA-N 0 3 300.406 2.182 20 30 DEEDHN CCCN(C)CC(=O)NCCSCc1ccccc1C#N ZINC000359237317 147289118 /nfs/dbraw/zinc/28/91/18/147289118.db2.gz BZVOIIPVEPIPPR-UHFFFAOYSA-N 0 3 305.447 2.249 20 30 DEEDHN N#Cc1ccc(OCCN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000359541486 147347338 /nfs/dbraw/zinc/34/73/38/147347338.db2.gz RCCUZISYDBWOMO-KRWDZBQOSA-N 0 3 300.333 2.399 20 30 DEEDHN CN1CCN(C)[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360838770 147393351 /nfs/dbraw/zinc/39/33/51/147393351.db2.gz DYJHSDIKHQOOSH-IEBWSBKVSA-N 0 3 312.461 2.161 20 30 DEEDHN COC(=O)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)CC1CC1 ZINC000565661979 292175404 /nfs/dbraw/zinc/17/54/04/292175404.db2.gz WFBDKOZUKLXCBG-LBPRGKRZSA-N 0 3 303.318 2.468 20 30 DEEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000371356397 148092609 /nfs/dbraw/zinc/09/26/09/148092609.db2.gz XKRKKVZCJYZYJK-ZWKOTPCHSA-N 0 3 305.381 2.386 20 30 DEEDHN CCCCN(C)CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000112310385 401738439 /nfs/dbraw/zinc/73/84/39/401738439.db2.gz QCTAJUFOVQEHPJ-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000112367991 401742028 /nfs/dbraw/zinc/74/20/28/401742028.db2.gz TUURAZWCONHJLY-BBRMVZONSA-N 0 3 320.408 2.347 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000126474619 401696502 /nfs/dbraw/zinc/69/65/02/401696502.db2.gz RJSXANMNUHFCFQ-CQSZACIVSA-N 0 3 324.428 2.096 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(n2ccnc2)CC1 ZINC000111244684 401703226 /nfs/dbraw/zinc/70/32/26/401703226.db2.gz MYLHZGFRSRVETN-OAHLLOKOSA-N 0 3 302.422 2.109 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076806570 401800281 /nfs/dbraw/zinc/80/02/81/401800281.db2.gz RIYUUSHGNBMMMV-GOEBONIOSA-N 0 3 317.408 2.451 20 30 DEEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCc2ccccc2C1 ZINC000114489086 401801966 /nfs/dbraw/zinc/80/19/66/401801966.db2.gz HXDANLGJEZPWSF-SFHVURJKSA-N 0 3 324.428 2.132 20 30 DEEDHN CC(C)[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000114730074 401808523 /nfs/dbraw/zinc/80/85/23/401808523.db2.gz ZCEILAHWLZZYMQ-MRXNPFEDSA-N 0 3 304.438 2.400 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CC(=O)OCC)CC1 ZINC000130399835 401830263 /nfs/dbraw/zinc/83/02/63/401830263.db2.gz GSOWSBANJQWQBO-HNNXBMFYSA-N 0 3 324.465 2.465 20 30 DEEDHN C=CCNC(=O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000078643013 401860068 /nfs/dbraw/zinc/86/00/68/401860068.db2.gz SEMYDOCRRNVBEB-UHFFFAOYSA-N 0 3 302.418 2.217 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000135155452 401928602 /nfs/dbraw/zinc/92/86/02/401928602.db2.gz OFDGTEZVZVPGNB-KRWDZBQOSA-N 0 3 305.422 2.241 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CCOCC1)C(C)C ZINC000080087277 401888190 /nfs/dbraw/zinc/88/81/90/401888190.db2.gz UGXSDGOINSBOHN-INIZCTEOSA-N 0 3 309.454 2.163 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000080662609 401891536 /nfs/dbraw/zinc/89/15/36/401891536.db2.gz HQIZKBIJOFFYQA-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCNc1ncc(C(=O)NC2CCN(C3CC3)CC2)s1 ZINC000136110307 401960915 /nfs/dbraw/zinc/96/09/15/401960915.db2.gz FSENFSIONSKGII-UHFFFAOYSA-N 0 3 306.435 2.098 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812772 401962593 /nfs/dbraw/zinc/96/25/93/401962593.db2.gz QEAKCRLTSXGLSV-OLZOCXBDSA-N 0 3 315.417 2.376 20 30 DEEDHN C=CCCOCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000143679233 401991144 /nfs/dbraw/zinc/99/11/44/401991144.db2.gz CTFUDLYTCRTUEJ-UHFFFAOYSA-N 0 3 302.418 2.360 20 30 DEEDHN N#Cc1ccccc1OCCN1CCS[C@H]2COCC[C@@H]21 ZINC000135525013 401943158 /nfs/dbraw/zinc/94/31/58/401943158.db2.gz OUVWKXNRRAZYQV-HOCLYGCPSA-N 0 3 304.415 2.143 20 30 DEEDHN CNC(=O)[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000093360735 402014623 /nfs/dbraw/zinc/01/46/23/402014623.db2.gz BFVKZSZYNPPXQV-INIZCTEOSA-N 0 3 315.417 2.327 20 30 DEEDHN C=CCCCN(C)CC(=O)NCc1ccc(NC(=O)OC)cc1 ZINC000121136185 402016908 /nfs/dbraw/zinc/01/69/08/402016908.db2.gz YOGQIVXLFGROLC-UHFFFAOYSA-N 0 3 319.405 2.379 20 30 DEEDHN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1OC ZINC000151176433 402021475 /nfs/dbraw/zinc/02/14/75/402021475.db2.gz CVEKGJAELJICFI-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN Cc1ccc(NC(=O)c2ccc(C#N)cn2)c(OCCN(C)C)c1 ZINC000151371379 402032479 /nfs/dbraw/zinc/03/24/79/402032479.db2.gz SUSNBOBECTVHFB-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000150928678 402005517 /nfs/dbraw/zinc/00/55/17/402005517.db2.gz YTLDDSFJTPSGRF-DOTOQJQBSA-N 0 3 321.465 2.237 20 30 DEEDHN CCC[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1[O-] ZINC000092798427 402009343 /nfs/dbraw/zinc/00/93/43/402009343.db2.gz UZDXAUJPDDYHGR-UHFFFAOYSA-N 0 3 303.406 2.366 20 30 DEEDHN CCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1[O-] ZINC000092798427 402009345 /nfs/dbraw/zinc/00/93/45/402009345.db2.gz UZDXAUJPDDYHGR-UHFFFAOYSA-N 0 3 303.406 2.366 20 30 DEEDHN CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1(C)C ZINC000451490043 286172296 /nfs/dbraw/zinc/17/22/96/286172296.db2.gz ODXOVUYIGHRJKS-MGBSGCIJSA-N 0 3 309.454 2.223 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CCCOC1 ZINC000107064478 402225623 /nfs/dbraw/zinc/22/56/23/402225623.db2.gz IHNZAEDIVLTYMH-ZFWWWQNUSA-N 0 3 301.390 2.244 20 30 DEEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1nnc2n1CCCCC2 ZINC000125632542 402242876 /nfs/dbraw/zinc/24/28/76/402242876.db2.gz NKIWDQRJPYNQRX-GFCCVEGCSA-N 0 3 324.388 2.027 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000108335797 402250887 /nfs/dbraw/zinc/25/08/87/402250887.db2.gz YFKLUVQNWDEDNI-FSNWXROXSA-N 0 3 313.401 2.060 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000108590500 402257667 /nfs/dbraw/zinc/25/76/67/402257667.db2.gz XRWNLQPZYWOBLL-MRXNPFEDSA-N 0 3 317.408 2.312 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000068845907 402207500 /nfs/dbraw/zinc/20/75/00/402207500.db2.gz VSJVWAIJONIOFH-GOSISDBHSA-N 0 3 308.381 2.356 20 30 DEEDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)CCCCC#N ZINC000068907347 402208682 /nfs/dbraw/zinc/20/86/82/402208682.db2.gz COIWNUYPOMJKOJ-OAHLLOKOSA-N 0 3 315.483 2.254 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)cc2OC)CC1 ZINC000176598675 402322362 /nfs/dbraw/zinc/32/23/62/402322362.db2.gz LDTKMVRXZNUOGF-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN CC#CCCN1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000155901940 402270403 /nfs/dbraw/zinc/27/04/03/402270403.db2.gz KOGLGCDOHDFSOJ-UHFFFAOYSA-N 0 3 314.429 2.437 20 30 DEEDHN CCC(=O)N[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000155924573 402271057 /nfs/dbraw/zinc/27/10/57/402271057.db2.gz OWPNCCASAQDMQD-MRXNPFEDSA-N 0 3 315.417 2.318 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1CC(C)(C)O ZINC000189885404 402564353 /nfs/dbraw/zinc/56/43/53/402564353.db2.gz JQLODDXZKPARNM-CYBMUJFWSA-N 0 3 321.852 2.489 20 30 DEEDHN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1O ZINC000170779369 402524359 /nfs/dbraw/zinc/52/43/59/402524359.db2.gz KPXDJMPLJFWSBS-GOSISDBHSA-N 0 3 315.417 2.413 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000179183999 402579071 /nfs/dbraw/zinc/57/90/71/402579071.db2.gz IZIIEKKYQNDXHW-OAHLLOKOSA-N 0 3 308.809 2.140 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000171708817 402613242 /nfs/dbraw/zinc/61/32/42/402613242.db2.gz KKJKBXKSRBCAFB-UHFFFAOYSA-N 0 3 318.377 2.044 20 30 DEEDHN C=CCN1CCC(NC(=O)CSCc2cccnc2)CC1 ZINC000171715483 402613829 /nfs/dbraw/zinc/61/38/29/402613829.db2.gz YYQGDVCIPAZBRI-UHFFFAOYSA-N 0 3 305.447 2.081 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000171717820 402614533 /nfs/dbraw/zinc/61/45/33/402614533.db2.gz BJDWKYGJEGXQRO-UHFFFAOYSA-N 0 3 312.373 2.117 20 30 DEEDHN CN(C)[C@H](CNCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000190798632 402623926 /nfs/dbraw/zinc/62/39/26/402623926.db2.gz NIGRKCJWEIMELD-QGZVFWFLSA-N 0 3 300.381 2.428 20 30 DEEDHN Cn1cc(CNC[C@](C)(O)c2ccc(F)cc2F)cc1C#N ZINC000191060408 402639473 /nfs/dbraw/zinc/63/94/73/402639473.db2.gz NVOOFXCHZUPOGO-INIZCTEOSA-N 0 3 305.328 2.172 20 30 DEEDHN CSc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000172124323 402641670 /nfs/dbraw/zinc/64/16/70/402641670.db2.gz JMLOUTYJNBALNN-NXVVXOECSA-N 0 3 317.414 2.025 20 30 DEEDHN N#CC(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccn1 ZINC000181409419 402644881 /nfs/dbraw/zinc/64/48/81/402644881.db2.gz NKUJRQDVPBJECP-SNVBAGLBSA-N 0 3 311.253 2.209 20 30 DEEDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc(OCC#N)cc1 ZINC000181428296 402645451 /nfs/dbraw/zinc/64/54/51/402645451.db2.gz FNHWCZMUPONVPR-CYBMUJFWSA-N 0 3 313.357 2.263 20 30 DEEDHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191537644 402677063 /nfs/dbraw/zinc/67/70/63/402677063.db2.gz OVHAVCGASPVEBJ-QGZVFWFLSA-N 0 3 323.444 2.246 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000174776506 402756946 /nfs/dbraw/zinc/75/69/46/402756946.db2.gz SSXFDZUEGXNHBJ-HZPDHXFCSA-N 0 3 321.465 2.284 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCSC[C@H](C)C2)CC1 ZINC000192325684 402722929 /nfs/dbraw/zinc/72/29/29/402722929.db2.gz QTMXURZLLTUOBO-CQSZACIVSA-N 0 3 311.495 2.421 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000194697478 402811029 /nfs/dbraw/zinc/81/10/29/402811029.db2.gz PXDREIKXRGDXBZ-OAHLLOKOSA-N 0 3 303.431 2.002 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)C(C)(C)C#N)c2)CC1 ZINC000184263326 402831471 /nfs/dbraw/zinc/83/14/71/402831471.db2.gz NJYRKDMWJSKAFO-UHFFFAOYSA-N 0 3 300.406 2.317 20 30 DEEDHN N#CCCN(Cc1ccco1)C(=O)C1CCN(C2CC2)CC1 ZINC000278615427 402869177 /nfs/dbraw/zinc/86/91/77/402869177.db2.gz JSHGVXWJFRGFJY-UHFFFAOYSA-N 0 3 301.390 2.396 20 30 DEEDHN Cc1nsc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000271442400 402871356 /nfs/dbraw/zinc/87/13/56/402871356.db2.gz XRFVJDAEFRPLKW-UHFFFAOYSA-N 0 3 301.419 2.286 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000264384822 402873469 /nfs/dbraw/zinc/87/34/69/402873469.db2.gz JENKXEKRDBWALY-UHFFFAOYSA-N 0 3 309.360 2.414 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000278854177 402878425 /nfs/dbraw/zinc/87/84/25/402878425.db2.gz LQQGGJUMSHEHDI-RHSMWYFYSA-N 0 3 322.474 2.403 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000264444093 402878919 /nfs/dbraw/zinc/87/89/19/402878919.db2.gz AZHFNXALQJEGMK-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(C)c2C2CC2)CC1 ZINC000264509384 402885094 /nfs/dbraw/zinc/88/50/94/402885094.db2.gz SOBOWEQLCYMLEC-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cncnc2C(C)C)CC1 ZINC000264511018 402885116 /nfs/dbraw/zinc/88/51/16/402885116.db2.gz UBFWGYZDFSOQLT-UHFFFAOYSA-N 0 3 302.422 2.370 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272446113 402937970 /nfs/dbraw/zinc/93/79/70/402937970.db2.gz PAAXSXZVBNBQQN-RHSMWYFYSA-N 0 3 313.401 2.257 20 30 DEEDHN CCN(Cc1cnn(C)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279472406 402946229 /nfs/dbraw/zinc/94/62/29/402946229.db2.gz HQOVMEOGWQUFIE-QGZVFWFLSA-N 0 3 321.384 2.023 20 30 DEEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c(=O)n1C ZINC000279617527 402960661 /nfs/dbraw/zinc/96/06/61/402960661.db2.gz XWVPWQMAKNZPSE-AWEZNQCLSA-N 0 3 311.385 2.447 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)CN(C2CC2)C1=O)C(C)C ZINC000272354630 402927220 /nfs/dbraw/zinc/92/72/20/402927220.db2.gz YBOXMBBZEPUAAE-OAHLLOKOSA-N 0 3 305.422 2.112 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCCCCO)C(C)C ZINC000280415755 402997376 /nfs/dbraw/zinc/99/73/76/402997376.db2.gz HRVQAFZBIFBUGH-INIZCTEOSA-N 0 3 311.470 2.147 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000280555021 403012626 /nfs/dbraw/zinc/01/26/26/403012626.db2.gz JQAOQFPEKBFWEY-NVXWUHKLSA-N 0 3 322.474 2.393 20 30 DEEDHN N#CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000273614920 403020126 /nfs/dbraw/zinc/02/01/26/403020126.db2.gz UWJGMZCAUGXBEB-MRXNPFEDSA-N 0 3 300.406 2.254 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000280710279 403028947 /nfs/dbraw/zinc/02/89/47/403028947.db2.gz UCANRNVEENGIKV-ZBEGNZNMSA-N 0 3 322.361 2.380 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000280268552 402982074 /nfs/dbraw/zinc/98/20/74/402982074.db2.gz LUSWTUVALQUYDM-OLZOCXBDSA-N 0 3 306.406 2.088 20 30 DEEDHN COc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1OCCO ZINC000274180844 403032926 /nfs/dbraw/zinc/03/29/26/403032926.db2.gz FKLVCSKUJNRXTI-UKRRQHHQSA-N 0 3 304.390 2.238 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000280824680 403040422 /nfs/dbraw/zinc/04/04/22/403040422.db2.gz VUZRKPGQQJMCRI-SJCJKPOMSA-N 0 3 307.390 2.480 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000280945027 403052638 /nfs/dbraw/zinc/05/26/38/403052638.db2.gz WUICQXYTTPBKEC-UXLLHSPISA-N 0 3 323.458 2.420 20 30 DEEDHN CN(C(=O)[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1)c1ccccc1 ZINC000281045785 403057111 /nfs/dbraw/zinc/05/71/11/403057111.db2.gz HGBYJUFZWCQDCT-MRXNPFEDSA-N 0 3 322.412 2.382 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@](C)(C(=O)NC)C2)cc1OC ZINC000281150530 403059636 /nfs/dbraw/zinc/05/96/36/403059636.db2.gz PBEPAEBTZYWZOG-GOSISDBHSA-N 0 3 318.417 2.218 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000281632883 403077046 /nfs/dbraw/zinc/07/70/46/403077046.db2.gz OKHYVDKCBDNSBK-KGLIPLIRSA-N 0 3 301.390 2.250 20 30 DEEDHN Cc1noc([C@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000268637909 403101844 /nfs/dbraw/zinc/10/18/44/403101844.db2.gz CVGOZXMELASDEM-JKSUJKDBSA-N 0 3 312.373 2.163 20 30 DEEDHN CO[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000281911824 403103610 /nfs/dbraw/zinc/10/36/10/403103610.db2.gz SFGYNZGRUIINEV-KBRIMQKVSA-N 0 3 311.385 2.266 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000268592471 403097351 /nfs/dbraw/zinc/09/73/51/403097351.db2.gz VSWIJOHPLVAHIU-OAHLLOKOSA-N 0 3 308.447 2.223 20 30 DEEDHN C=CCN1CC[C@@H](N(C)[C@H]2CCCN(c3ccccc3)C2)C1=O ZINC000282058030 403117803 /nfs/dbraw/zinc/11/78/03/403117803.db2.gz RZSBEABSSFJSRX-ZWKOTPCHSA-N 0 3 313.445 2.374 20 30 DEEDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000269288406 403128480 /nfs/dbraw/zinc/12/84/80/403128480.db2.gz SISVNLAHTNHOMU-IAGOWNOFSA-N 0 3 310.401 2.237 20 30 DEEDHN CN(C)C1(CNC(=O)CSc2ccc(C#N)cc2)CCC1 ZINC000276105931 403146344 /nfs/dbraw/zinc/14/63/44/403146344.db2.gz ZLKOXAVAOQIJIQ-UHFFFAOYSA-N 0 3 303.431 2.251 20 30 DEEDHN COCCOC[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282407067 403150795 /nfs/dbraw/zinc/15/07/95/403150795.db2.gz RZQSMEWWOQWWND-HNNXBMFYSA-N 0 3 304.390 2.052 20 30 DEEDHN C=CCCN(C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000276269710 403159124 /nfs/dbraw/zinc/15/91/24/403159124.db2.gz PYTGIPPPUAQKNS-UHFFFAOYSA-N 0 3 301.434 2.233 20 30 DEEDHN COCCN(CCOC)Cc1ccc(N(C)CCC#N)cc1 ZINC000270978040 403248298 /nfs/dbraw/zinc/24/82/98/403248298.db2.gz BQKSGXPMOHLUCL-UHFFFAOYSA-N 0 3 305.422 2.131 20 30 DEEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000277807142 403259139 /nfs/dbraw/zinc/25/91/39/403259139.db2.gz GVGCZQLKSJDJLI-MRXNPFEDSA-N 0 3 313.401 2.070 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277816400 403259934 /nfs/dbraw/zinc/25/99/34/403259934.db2.gz QLHTZHJZHNPXAF-BVGQSLNGSA-N 0 3 310.401 2.061 20 30 DEEDHN CCOC1CC2(C1)CCN(C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000285387325 403285718 /nfs/dbraw/zinc/28/57/18/403285718.db2.gz DAOATUYGKJGEGR-ADKAHSJRSA-N 0 3 300.402 2.483 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H](O)c3ccccc3)C2)nc1 ZINC000292332509 403356717 /nfs/dbraw/zinc/35/67/17/403356717.db2.gz WMGYYKUSSKQEML-SJORKVTESA-N 0 3 309.369 2.140 20 30 DEEDHN C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)N(C)C)cc1OC ZINC000298348999 403362600 /nfs/dbraw/zinc/36/26/00/403362600.db2.gz LONIJERFBFVDFN-QSYFUGGGSA-N 0 3 318.417 2.340 20 30 DEEDHN CCn1ccnc1[C@H]1OCC[C@H]1NCc1ccc(C#N)s1 ZINC000342852281 403372262 /nfs/dbraw/zinc/37/22/62/403372262.db2.gz JORLPABQSLPATH-KGLIPLIRSA-N 0 3 302.403 2.456 20 30 DEEDHN CN1CCC[C@@]2(CCN(c3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000292802875 403379015 /nfs/dbraw/zinc/37/90/15/403379015.db2.gz NLAFXCNKYTWMBZ-MRXNPFEDSA-N 0 3 300.362 2.389 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000298489883 403394914 /nfs/dbraw/zinc/39/49/14/403394914.db2.gz JBLMFJPPUCQBFU-CABCVRRESA-N 0 3 315.417 2.174 20 30 DEEDHN C=CCC[C@H](NCCC(=O)N1CCN(C)CC1)c1ccco1 ZINC000285899881 403406267 /nfs/dbraw/zinc/40/62/67/403406267.db2.gz CPVXGKLIRLUWSG-HNNXBMFYSA-N 0 3 305.422 2.041 20 30 DEEDHN CCOC[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000298551503 403411451 /nfs/dbraw/zinc/41/14/51/403411451.db2.gz ODZCHCYJCUJHBQ-SJORKVTESA-N 0 3 315.417 2.314 20 30 DEEDHN CS[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1N(C)C ZINC000286085979 403446455 /nfs/dbraw/zinc/44/64/55/403446455.db2.gz BYLUDJCTPTZPCC-IONNQARKSA-N 0 3 302.856 2.150 20 30 DEEDHN C#CCNC(=O)CCN(C)Cc1cccc(Br)c1 ZINC000293445852 403474303 /nfs/dbraw/zinc/47/43/03/403474303.db2.gz KIORSEYEFUMSQS-UHFFFAOYSA-N 0 3 309.207 2.020 20 30 DEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(SC)cc1 ZINC000345812300 403492902 /nfs/dbraw/zinc/49/29/02/403492902.db2.gz ULAXFNWBGSJRSY-ZWNOBZJWSA-N 0 3 306.387 2.289 20 30 DEEDHN COc1cccc(OC)c1OC1CCN(C(=O)C(C)C#N)CC1 ZINC000345773689 403478471 /nfs/dbraw/zinc/47/84/71/403478471.db2.gz ZAZAXWGECYMBPP-GFCCVEGCSA-N 0 3 318.373 2.233 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000343173301 403486949 /nfs/dbraw/zinc/48/69/49/403486949.db2.gz JKFJLNBSMLFOTF-JYJNAYRXSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2ccc(F)cc2)CC1 ZINC000299137557 403531910 /nfs/dbraw/zinc/53/19/10/403531910.db2.gz QWEKARMEKADYDW-CQSZACIVSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCOc1ccc([C@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000287195119 403555961 /nfs/dbraw/zinc/55/59/61/403555961.db2.gz WBNUAKMIFICVEM-GJZGRUSLSA-N 0 3 321.442 2.174 20 30 DEEDHN COc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1C#N ZINC000287363688 403584184 /nfs/dbraw/zinc/58/41/84/403584184.db2.gz LYYRVMVLDNIBQH-OAHLLOKOSA-N 0 3 313.401 2.011 20 30 DEEDHN CN(C)CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287368617 403585080 /nfs/dbraw/zinc/58/50/80/403585080.db2.gz YVGYFIDSMACTHE-UHFFFAOYSA-N 0 3 311.183 2.004 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000293879732 403589176 /nfs/dbraw/zinc/58/91/76/403589176.db2.gz CNIUUUBARNJGCU-UHFFFAOYSA-N 0 3 302.393 2.319 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000346453858 403590814 /nfs/dbraw/zinc/59/08/14/403590814.db2.gz HZLILKVZYVCZNQ-PWSUYJOCSA-N 0 3 305.765 2.111 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)CCc1ccccc1F ZINC000293899317 403593190 /nfs/dbraw/zinc/59/31/90/403593190.db2.gz FCXNNXZYEMFWQQ-OAHLLOKOSA-N 0 3 304.409 2.466 20 30 DEEDHN C=C(CNC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1 ZINC000287452342 403602242 /nfs/dbraw/zinc/60/22/42/403602242.db2.gz CSJQSNOVDPCNQU-KRWDZBQOSA-N 0 3 319.474 2.436 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(COC)s2)CC1 ZINC000287257449 403562028 /nfs/dbraw/zinc/56/20/28/403562028.db2.gz PXSHVRCWOVNFLF-UHFFFAOYSA-N 0 3 324.450 2.452 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000347094142 403615598 /nfs/dbraw/zinc/61/55/98/403615598.db2.gz VTRZNRXIMNACJZ-WDEREUQCSA-N 0 3 309.316 2.143 20 30 DEEDHN COC(=O)[C@H](CNC(=O)C(C)C#N)Cc1ccc2ccccc2c1 ZINC000347104334 403616406 /nfs/dbraw/zinc/61/64/06/403616406.db2.gz JQMMKTHWBLWXEY-GUYCJALGSA-N 0 3 324.380 2.447 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294015670 403624017 /nfs/dbraw/zinc/62/40/17/403624017.db2.gz QARNWGUVYQZJBW-UHFFFAOYSA-N 0 3 315.329 2.026 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000294020365 403626324 /nfs/dbraw/zinc/62/63/24/403626324.db2.gz QMNSNHAQFFZTQI-CYBMUJFWSA-N 0 3 308.809 2.179 20 30 DEEDHN N#Cc1cc(NC[C@H]2CCCCN2C2CC2)cc(N)c1[N+](=O)[O-] ZINC000287760143 403661691 /nfs/dbraw/zinc/66/16/91/403661691.db2.gz NFEZQYGUHISYDY-CQSZACIVSA-N 0 3 315.377 2.477 20 30 DEEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c2cnn(C)c2n1 ZINC000347354313 403676848 /nfs/dbraw/zinc/67/68/48/403676848.db2.gz ZLHBLVTWTPOFGP-ZDUSSCGKSA-N 0 3 320.356 2.174 20 30 DEEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2ccc(F)cc2)n1 ZINC000287871391 403683179 /nfs/dbraw/zinc/68/31/79/403683179.db2.gz NLYXLAYNELQDIA-UHFFFAOYSA-N 0 3 313.380 2.364 20 30 DEEDHN C=CCN1CC[C@H](N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)C1=O ZINC000347376254 403685636 /nfs/dbraw/zinc/68/56/36/403685636.db2.gz SBIYDHUMFDRRMD-RYRKJORJSA-N 0 3 316.445 2.260 20 30 DEEDHN C[C@@H](NC(=O)c1cnccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000343683035 403690569 /nfs/dbraw/zinc/69/05/69/403690569.db2.gz DTHXQMOSWYUHJG-DYVFJYSZSA-N 0 3 308.385 2.374 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000305096661 403828074 /nfs/dbraw/zinc/82/80/74/403828074.db2.gz UGSBQSKGJVTKPG-LJQANCHMSA-N 0 3 313.445 2.393 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCOCC2(CCC2)C1 ZINC000368707876 403831308 /nfs/dbraw/zinc/83/13/08/403831308.db2.gz PYOSASBQZJNURS-UHFFFAOYSA-N 0 3 313.401 2.389 20 30 DEEDHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000362497165 403960565 /nfs/dbraw/zinc/96/05/65/403960565.db2.gz GYGNAEPOHCHZIJ-AWEZNQCLSA-N 0 3 303.431 2.468 20 30 DEEDHN C=C[C@H](CC(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000305718167 403918370 /nfs/dbraw/zinc/91/83/70/403918370.db2.gz VEQBGYAEFMDXBO-MRXNPFEDSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCCC2(C1)CCCCCC2 ZINC000362383361 403949901 /nfs/dbraw/zinc/94/99/01/403949901.db2.gz KPYMEPBVMQYQAC-UHFFFAOYSA-N 0 3 307.438 2.435 20 30 DEEDHN C=CCSc1ccccc1C(=O)NC[C@](C)(O)CN(C)C ZINC000362420702 403953958 /nfs/dbraw/zinc/95/39/58/403953958.db2.gz RTXIIGAWBRCQOX-INIZCTEOSA-N 0 3 308.447 2.007 20 30 DEEDHN CCOC[C@@H]1CCCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000313442917 403987173 /nfs/dbraw/zinc/98/71/73/403987173.db2.gz KIJSRZJOSOJZTF-IRXDYDNUSA-N 0 3 318.417 2.189 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000362807785 403988981 /nfs/dbraw/zinc/98/89/81/403988981.db2.gz IGBDSRJJWQRNIH-SQNIBIBYSA-N 0 3 314.429 2.358 20 30 DEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000289861818 404003610 /nfs/dbraw/zinc/00/36/10/404003610.db2.gz QYMINGPZMKIRDR-CJNGLKHVSA-N 0 3 301.390 2.138 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000354878493 404074248 /nfs/dbraw/zinc/07/42/48/404074248.db2.gz LDZYDQGERHMBNR-INIZCTEOSA-N 0 3 314.433 2.478 20 30 DEEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)NCCF ZINC000337530379 404081438 /nfs/dbraw/zinc/08/14/38/404081438.db2.gz CPOOGSJIAGDJGY-BLLLJJGKSA-N 0 3 303.381 2.390 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nccnc2C#N)C1 ZINC000323959283 404096605 /nfs/dbraw/zinc/09/66/05/404096605.db2.gz ZJQONLMNPJWRKF-HNNXBMFYSA-N 0 3 307.401 2.307 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCCc2cccc(C#N)c2)CN1C1CC1 ZINC000344325519 404059197 /nfs/dbraw/zinc/05/91/97/404059197.db2.gz HPNHZALSYSISPT-BBRMVZONSA-N 0 3 312.417 2.025 20 30 DEEDHN C[C@@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000348412210 404065380 /nfs/dbraw/zinc/06/53/80/404065380.db2.gz QUMRMLATDBRWLI-KBRIMQKVSA-N 0 3 311.385 2.172 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000348398102 404066723 /nfs/dbraw/zinc/06/67/23/404066723.db2.gz HLZPTGHZOUPMGK-IAOVAPTHSA-N 0 3 311.385 2.172 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC000412030794 404066927 /nfs/dbraw/zinc/06/69/27/404066927.db2.gz BHECOEZYJZOHMR-QGZVFWFLSA-N 0 3 300.402 2.147 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000354921265 404103315 /nfs/dbraw/zinc/10/33/15/404103315.db2.gz YTRCFMLLKWXHLE-IEBWSBKVSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](CO)[C@H]1C ZINC000412095129 404129239 /nfs/dbraw/zinc/12/92/39/404129239.db2.gz SRYFXWUMTTYBOV-KBAYOESNSA-N 0 3 319.445 2.248 20 30 DEEDHN CC(C)[C@@H](C(=O)NC1CCN(C2CC2)CC1)N1CCCC1=O ZINC000328690923 404132693 /nfs/dbraw/zinc/13/26/93/404132693.db2.gz QZPOXJAMQFRTKN-INIZCTEOSA-N 0 3 307.438 2.217 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCOCC2)[C@@H]1C ZINC000349231359 404137578 /nfs/dbraw/zinc/13/75/78/404137578.db2.gz ALUBFMKIHQCUAI-HOTGVXAUSA-N 0 3 306.450 2.467 20 30 DEEDHN CC(C)c1nncn1CCNC(=O)C1CCN(C2CC2)CC1 ZINC000328721194 404138436 /nfs/dbraw/zinc/13/84/36/404138436.db2.gz WSAHICIUJKNBQA-UHFFFAOYSA-N 0 3 305.426 2.232 20 30 DEEDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1coc(C2CCOCC2)n1 ZINC000328753070 404144759 /nfs/dbraw/zinc/14/47/59/404144759.db2.gz RTZDLJDNIYOENR-LBPRGKRZSA-N 0 3 319.405 2.358 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000349418297 404161031 /nfs/dbraw/zinc/16/10/31/404161031.db2.gz VNSKIWRAJHREBQ-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN CCN1CCC[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC000328874255 404165359 /nfs/dbraw/zinc/16/53/59/404165359.db2.gz FMWCUOTVKUYNKG-LSDHHAIUSA-N 0 3 309.454 2.464 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363557987 404184308 /nfs/dbraw/zinc/18/43/08/404184308.db2.gz NVGVODUNAXYVAM-CVEARBPZSA-N 0 3 309.454 2.237 20 30 DEEDHN C[C@@H](NC(=O)[C@@H]1CCCOC1)C(=O)NCCN1CCCCC1 ZINC000329012500 404201675 /nfs/dbraw/zinc/20/16/75/404201675.db2.gz OZNFDFSEFPIKRG-ZIAGYGMSSA-N 0 3 311.426 2.200 20 30 DEEDHN COc1cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)ccc1C#N ZINC000369722608 404207146 /nfs/dbraw/zinc/20/71/46/404207146.db2.gz SMGCUOZXPFXPDY-HNNXBMFYSA-N 0 3 310.401 2.365 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2cc[nH]n2)CCN1C ZINC000329287531 404291311 /nfs/dbraw/zinc/29/13/11/404291311.db2.gz PEDIHAXUTHNEJX-NFAWXSAZSA-N 0 3 305.426 2.333 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)CCN1C ZINC000329287532 404291341 /nfs/dbraw/zinc/29/13/41/404291341.db2.gz PEDIHAXUTHNEJX-UMVBOHGHSA-N 0 3 305.426 2.333 20 30 DEEDHN CNC(=O)CC[C@@H]1CCCCN1C[C@H]1CCCS(=O)(=O)C1 ZINC000329155499 404245979 /nfs/dbraw/zinc/24/59/79/404245979.db2.gz CIUJVDLMVHOYLP-KGLIPLIRSA-N 0 3 316.467 2.032 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000337821978 404263145 /nfs/dbraw/zinc/26/31/45/404263145.db2.gz PFIYFRFDHGTREU-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNCc1ccnc(OC)n1)C(C)C ZINC000296508652 404281517 /nfs/dbraw/zinc/28/15/17/404281517.db2.gz RJEMIXNJJWTGHP-INIZCTEOSA-N 0 3 304.438 2.273 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000352316340 404284717 /nfs/dbraw/zinc/28/47/17/404284717.db2.gz SXIWXUKLTXEPAE-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@]1(C)CCOC1)C(C)C ZINC000355434657 404333866 /nfs/dbraw/zinc/33/38/66/404333866.db2.gz ITYOYNPBIPCXCO-FUHWJXTLSA-N 0 3 323.481 2.411 20 30 DEEDHN CCCN(CC(C)(C)O)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350154313 404335373 /nfs/dbraw/zinc/33/53/73/404335373.db2.gz MBJCMQPENJTHMV-MRXNPFEDSA-N 0 3 313.401 2.250 20 30 DEEDHN C[C@H](NC(=O)NCCOC1CCCCC1)C1=CCN(C)CC1 ZINC000329483754 404351325 /nfs/dbraw/zinc/35/13/25/404351325.db2.gz FIENTQOVJOCUQU-AWEZNQCLSA-N 0 3 309.454 2.490 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)C1=CCN(C)CC1 ZINC000329352731 404310648 /nfs/dbraw/zinc/31/06/48/404310648.db2.gz URKXQUXXDCGPSQ-JSGCOSHPSA-N 0 3 309.454 2.487 20 30 DEEDHN CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)CN(C)C1CC1 ZINC000290815782 404323990 /nfs/dbraw/zinc/32/39/90/404323990.db2.gz RSMBRZYBSUWUAZ-ZDUSSCGKSA-N 0 3 324.808 2.444 20 30 DEEDHN NC(=O)CCC1CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329701262 404427560 /nfs/dbraw/zinc/42/75/60/404427560.db2.gz HHMJPTLTQIEHKA-GFCCVEGCSA-N 0 3 319.409 2.208 20 30 DEEDHN NC(=O)CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329701262 404427566 /nfs/dbraw/zinc/42/75/66/404427566.db2.gz HHMJPTLTQIEHKA-GFCCVEGCSA-N 0 3 319.409 2.208 20 30 DEEDHN C[C@H](CNC(=O)c1cnc2nccnc2c1)N1CCC[C@@H](C)C1 ZINC000329525309 404364746 /nfs/dbraw/zinc/36/47/46/404364746.db2.gz QWQWKEHYSOWTPY-CHWSQXEVSA-N 0 3 313.405 2.450 20 30 DEEDHN CN(C)CCOC1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342107119 404373087 /nfs/dbraw/zinc/37/30/87/404373087.db2.gz AXXGHQIGOYWSIN-UHFFFAOYSA-N 0 3 308.813 2.154 20 30 DEEDHN CN(C)C(=O)O[C@@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000296935233 404380433 /nfs/dbraw/zinc/38/04/33/404380433.db2.gz XHOZYAUYZHKJKM-MRXNPFEDSA-N 0 3 317.389 2.100 20 30 DEEDHN CO[C@](C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000291341135 404381272 /nfs/dbraw/zinc/38/12/72/404381272.db2.gz VGXWYSOWCLNQQQ-MAUKXSAKSA-N 0 3 311.385 2.172 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCC(C)CC1 ZINC000355964390 404382294 /nfs/dbraw/zinc/38/22/94/404382294.db2.gz QEVGZXJRAGXKBV-HNNXBMFYSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@H](n2cccn2)C1)N1CCC[C@@H](C)C1 ZINC000329620902 404396316 /nfs/dbraw/zinc/39/63/16/404396316.db2.gz MWWMKLAZDMNPQF-OAGGEKHMSA-N 0 3 319.453 2.164 20 30 DEEDHN CC[C@H](C[C@H](C)CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350474552 404396610 /nfs/dbraw/zinc/39/66/10/404396610.db2.gz HELFURUMYMWVMO-IAOVAPTHSA-N 0 3 313.401 2.154 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C1 ZINC000291515422 404408572 /nfs/dbraw/zinc/40/85/72/404408572.db2.gz QYOQPJLKWBCGTR-OCCSQVGLSA-N 0 3 318.808 2.163 20 30 DEEDHN COC1(C)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000342160207 404410631 /nfs/dbraw/zinc/41/06/31/404410631.db2.gz VKJVFCUACNPLEK-UHFFFAOYSA-N 0 3 307.419 2.449 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000297008371 404410675 /nfs/dbraw/zinc/41/06/75/404410675.db2.gz UMXQGRUIXDCMAE-HNNXBMFYSA-N 0 3 317.433 2.353 20 30 DEEDHN C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)C1=CCN(C)CC1 ZINC000329689496 404423470 /nfs/dbraw/zinc/42/34/70/404423470.db2.gz BEBJOXSGLVMDOP-KSSFIOAISA-N 0 3 323.481 2.472 20 30 DEEDHN C[C@H](NC(=O)N[C@](C)(CO)C1CCCCC1)C1=CCN(C)CC1 ZINC000329689495 404424203 /nfs/dbraw/zinc/42/42/03/404424203.db2.gz BEBJOXSGLVMDOP-KBXCAEBGSA-N 0 3 323.481 2.472 20 30 DEEDHN O=C(N[C@@H](CO)C1CCCC1)[C@H]1CCCN1C1CCOCC1 ZINC000329693679 404425828 /nfs/dbraw/zinc/42/58/28/404425828.db2.gz AVFBUYLPTKDINW-JKSUJKDBSA-N 0 3 310.438 2.137 20 30 DEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000329816408 404459800 /nfs/dbraw/zinc/45/98/00/404459800.db2.gz VWVOPKCBQVGSLD-XOUADPBQSA-N 0 3 309.454 2.034 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](O)[C@H](C)C1)C(C)C ZINC000350748152 404460008 /nfs/dbraw/zinc/46/00/08/404460008.db2.gz LXOSIQPWHBRBAE-ZACQAIPSSA-N 0 3 323.481 2.097 20 30 DEEDHN O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CCCN1C1CC1 ZINC000330219138 404589678 /nfs/dbraw/zinc/58/96/78/404589678.db2.gz PGDBLCNAWCDEOA-AWEZNQCLSA-N 0 3 317.437 2.130 20 30 DEEDHN C=CCCCCCN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000364817747 404538068 /nfs/dbraw/zinc/53/80/68/404538068.db2.gz LZYRSCRDMCZHRP-HNNXBMFYSA-N 0 3 300.468 2.233 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C(C)C)N(C)C ZINC000342388931 404549145 /nfs/dbraw/zinc/54/91/45/404549145.db2.gz ZSCDLBUNVWNTQX-INIZCTEOSA-N 0 3 308.422 2.263 20 30 DEEDHN CN1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000297839604 404638793 /nfs/dbraw/zinc/63/87/93/404638793.db2.gz KKHWJUDEKDIGFZ-UHFFFAOYSA-N 0 3 308.223 2.458 20 30 DEEDHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000330389952 404646658 /nfs/dbraw/zinc/64/66/58/404646658.db2.gz FRPNEJWIUQRBKS-HIFRSBDPSA-N 0 3 321.469 2.277 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@H](CO)C2)CC1 ZINC000352825102 404650456 /nfs/dbraw/zinc/65/04/56/404650456.db2.gz IPYRXWIMCFZMOE-HOTGVXAUSA-N 0 3 323.481 2.125 20 30 DEEDHN CNC(=O)[C@]1(C)CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000330284355 404615110 /nfs/dbraw/zinc/61/51/10/404615110.db2.gz XJEKKYDEIGRQRY-WMLDXEAASA-N 0 3 322.453 2.216 20 30 DEEDHN O=C(NCc1nc(CO)cs1)[C@H]1CCCN1C1CCCC1 ZINC000330289872 404616652 /nfs/dbraw/zinc/61/66/52/404616652.db2.gz FIALYGIEISFZAT-CYBMUJFWSA-N 0 3 309.435 2.499 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000352804608 404634719 /nfs/dbraw/zinc/63/47/19/404634719.db2.gz MCDLNURKQKYTKL-RHSMWYFYSA-N 0 3 300.402 2.418 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccnc(OC)c2)CC1 ZINC000352875473 404676215 /nfs/dbraw/zinc/67/62/15/404676215.db2.gz IIEYGLZPGVBEOX-ZDUSSCGKSA-N 0 3 318.421 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000374416475 404706084 /nfs/dbraw/zinc/70/60/84/404706084.db2.gz RPQWYASABICVHM-MRXNPFEDSA-N 0 3 321.465 2.285 20 30 DEEDHN Cc1cc(C(F)(F)F)ccc1CNCCn1cnc(C#N)n1 ZINC000353041857 404729482 /nfs/dbraw/zinc/72/94/82/404729482.db2.gz YOBWZKKMQIYGOM-UHFFFAOYSA-N 0 3 309.295 2.267 20 30 DEEDHN COc1ccc(C2(CNC(=O)C(C)C#N)CCOCC2)cc1 ZINC000357813766 404744884 /nfs/dbraw/zinc/74/48/84/404744884.db2.gz WFAVHRRCEYMDLD-ZDUSSCGKSA-N 0 3 302.374 2.019 20 30 DEEDHN N#C[C@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)CCO1 ZINC000357957818 404749352 /nfs/dbraw/zinc/74/93/52/404749352.db2.gz HZAQHILMEIOAKY-KRWDZBQOSA-N 0 3 313.401 2.037 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000358519676 404764807 /nfs/dbraw/zinc/76/48/07/404764807.db2.gz MOCJLGJGHLWSMO-HYVNUMGLSA-N 0 3 314.433 2.418 20 30 DEEDHN C=CCCCNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000359045651 404782083 /nfs/dbraw/zinc/78/20/83/404782083.db2.gz RVOGFLNMTQAOIR-UHFFFAOYSA-N 0 3 310.486 2.012 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000366707775 404835625 /nfs/dbraw/zinc/83/56/25/404835625.db2.gz IKNTXYQUKJPVBD-VQHPVUNQSA-N 0 3 321.465 2.093 20 30 DEEDHN C=CCC[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1ccccc1 ZINC000358724184 404773343 /nfs/dbraw/zinc/77/33/43/404773343.db2.gz QJRYDYSRMWHRNQ-FUHWJXTLSA-N 0 3 317.433 2.060 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC1(O)CCC1 ZINC000353493627 404847203 /nfs/dbraw/zinc/84/72/03/404847203.db2.gz XGRXACDZSXVUNH-AWEZNQCLSA-N 0 3 322.474 2.498 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000378065954 404860442 /nfs/dbraw/zinc/86/04/42/404860442.db2.gz CCIWMSDGAZOYDL-HZPDHXFCSA-N 0 3 321.465 2.236 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435031156 404951215 /nfs/dbraw/zinc/95/12/15/404951215.db2.gz YTTNMFVOAJWRCE-MRXNPFEDSA-N 0 3 311.429 2.390 20 30 DEEDHN Cn1cc(CNCCNC(=O)CCCc2ccccc2)cc1C#N ZINC000424194469 405036881 /nfs/dbraw/zinc/03/68/81/405036881.db2.gz XMKBSJXHSZHBFI-UHFFFAOYSA-N 0 3 324.428 2.125 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1F ZINC000424119360 405013096 /nfs/dbraw/zinc/01/30/96/405013096.db2.gz FQVGLZZSSUHJFN-TZMCWYRMSA-N 0 3 307.369 2.120 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1nc(C2CCCCC2)no1 ZINC000424121152 405014008 /nfs/dbraw/zinc/01/40/08/405014008.db2.gz IDUQAEUSXOPOPZ-WCQYABFASA-N 0 3 319.409 2.316 20 30 DEEDHN Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)c(OC(C)C)c1 ZINC000424132457 405017366 /nfs/dbraw/zinc/01/73/66/405017366.db2.gz XYKHCTWQLBAULP-HNNXBMFYSA-N 0 3 303.406 2.420 20 30 DEEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(C)C ZINC000416065834 405017876 /nfs/dbraw/zinc/01/78/76/405017876.db2.gz SMNLRGWOOOYDJU-SJORKVTESA-N 0 3 313.401 2.418 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000424135406 405018439 /nfs/dbraw/zinc/01/84/39/405018439.db2.gz MFXQHBHRYSISCL-WBVHZDCISA-N 0 3 308.385 2.308 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000424146019 405020728 /nfs/dbraw/zinc/02/07/28/405020728.db2.gz ORMXYJBVVMNGRG-CQSZACIVSA-N 0 3 311.345 2.229 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)NCC(C)(C)CCC#N)CCSC1 ZINC000353945024 404974834 /nfs/dbraw/zinc/97/48/34/404974834.db2.gz ZEVPSOOLRSBQQY-OAHLLOKOSA-N 0 3 312.483 2.053 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000367416331 405043440 /nfs/dbraw/zinc/04/34/40/405043440.db2.gz UYXIUPHZXQNRKP-SJORKVTESA-N 0 3 321.465 2.380 20 30 DEEDHN CC[C@H](C)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000451822942 405052870 /nfs/dbraw/zinc/05/28/70/405052870.db2.gz LQBPBEBKKUGLHM-JKSUJKDBSA-N 0 3 320.481 2.134 20 30 DEEDHN C[C@H](C#N)S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000416396641 405129461 /nfs/dbraw/zinc/12/94/61/405129461.db2.gz DITRSVYLOLOREV-KGLIPLIRSA-N 0 3 321.446 2.043 20 30 DEEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CSCC#N ZINC000436726624 405131321 /nfs/dbraw/zinc/13/13/21/405131321.db2.gz VJLNWACIQFKEEH-CQSZACIVSA-N 0 3 303.431 2.153 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000452028118 405131586 /nfs/dbraw/zinc/13/15/86/405131586.db2.gz BSRLRDWSVYSWIB-KLZNWCGWSA-N 0 3 309.454 2.367 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000424530776 405110922 /nfs/dbraw/zinc/11/09/22/405110922.db2.gz LCDHBAHUXIFAOB-SIRPWMCASA-N 0 3 306.450 2.156 20 30 DEEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nccn1C ZINC000367642274 405111663 /nfs/dbraw/zinc/11/16/63/405111663.db2.gz FMGICQBBFRSMIK-CYBMUJFWSA-N 0 3 310.405 2.006 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN(C)C1CC1 ZINC000361652052 405182717 /nfs/dbraw/zinc/18/27/17/405182717.db2.gz UOVGHNFHEVHLEW-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN CC(C)NC(=O)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354458604 405220548 /nfs/dbraw/zinc/22/05/48/405220548.db2.gz CAEQCAVVHWHKJQ-AWEZNQCLSA-N 0 3 308.341 2.105 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H](O)C1)C(C)C ZINC000439281290 405272850 /nfs/dbraw/zinc/27/28/50/405272850.db2.gz XYQFCTHVDUQMIR-YESZJQIVSA-N 0 3 308.466 2.352 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000438206504 405237195 /nfs/dbraw/zinc/23/71/95/405237195.db2.gz YLHPFKLFVZMGPT-WCQYABFASA-N 0 3 302.378 2.171 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CC1(C)C ZINC000419320165 405237801 /nfs/dbraw/zinc/23/78/01/405237801.db2.gz XCLWYJKWOHUDNJ-KBPBESRZSA-N 0 3 321.446 2.141 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000438442051 405246939 /nfs/dbraw/zinc/24/69/39/405246939.db2.gz IFDCPEMIHGITGM-CVEARBPZSA-N 0 3 309.454 2.093 20 30 DEEDHN N#Cc1ccc(OCCNCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440814847 405328019 /nfs/dbraw/zinc/32/80/19/405328019.db2.gz FUKIBJSIEXWHLQ-UHFFFAOYSA-N 0 3 310.279 2.469 20 30 DEEDHN C[C@H]1C[C@@H](CO)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000426166836 405341638 /nfs/dbraw/zinc/34/16/38/405341638.db2.gz QKPYGZHZCPRICS-XIRDDKMYSA-N 0 3 300.402 2.378 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000425486981 405298238 /nfs/dbraw/zinc/29/82/38/405298238.db2.gz YCEOZXIZRCNYPK-XJKSGUPXSA-N 0 3 312.417 2.497 20 30 DEEDHN N#Cc1cccc(C(=O)NCCN2CCCC2)c1Br ZINC000448605756 405426309 /nfs/dbraw/zinc/42/63/09/405426309.db2.gz MEJVCLLCFJLGNC-UHFFFAOYSA-N 0 3 322.206 2.146 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1cncc(C#N)n1 ZINC000420607189 405360506 /nfs/dbraw/zinc/36/05/06/405360506.db2.gz ZLFXGVZDRGHUQQ-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000448790451 405448507 /nfs/dbraw/zinc/44/85/07/405448507.db2.gz AFRDFPVDKFEEOA-OAHLLOKOSA-N 0 3 300.402 2.147 20 30 DEEDHN N#CC1(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000577570451 405468647 /nfs/dbraw/zinc/46/86/47/405468647.db2.gz HVJBKYKTRSMXLS-MRXNPFEDSA-N 0 3 312.417 2.254 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000448951746 405470437 /nfs/dbraw/zinc/47/04/37/405470437.db2.gz CTHBIMWWELLDGD-CYBMUJFWSA-N 0 3 310.401 2.445 20 30 DEEDHN N#Cc1cc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ncn1 ZINC000557736084 405624776 /nfs/dbraw/zinc/62/47/76/405624776.db2.gz HIGZKQCHBWMTKT-IBGZPJMESA-N 0 3 319.412 2.451 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)C1 ZINC000558032662 405641053 /nfs/dbraw/zinc/64/10/53/405641053.db2.gz IHKPSQBIMTUGAY-INIZCTEOSA-N 0 3 303.793 2.379 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000580655028 405661776 /nfs/dbraw/zinc/66/17/76/405661776.db2.gz AOSAEPMEGVBCIY-BBRMVZONSA-N 0 3 321.380 2.242 20 30 DEEDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494227543 405665485 /nfs/dbraw/zinc/66/54/85/405665485.db2.gz PARVEQODBWNKJI-AFFCQZHESA-N 0 3 321.465 2.463 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)NCCN2CCCC2(C)C)c1 ZINC000457062521 405675269 /nfs/dbraw/zinc/67/52/69/405675269.db2.gz VKUOMHFCVLNGBR-UHFFFAOYSA-N 0 3 314.433 2.228 20 30 DEEDHN C=CCC[C@H](CO)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000449700494 405699567 /nfs/dbraw/zinc/69/95/67/405699567.db2.gz SZFFKBNVTMQXFH-QGZVFWFLSA-N 0 3 303.381 2.487 20 30 DEEDHN C=C(CC)CNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000459091960 405739715 /nfs/dbraw/zinc/73/97/15/405739715.db2.gz MUFNFKRUIIMVRU-UHFFFAOYSA-N 0 3 310.486 2.012 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000528916110 405743600 /nfs/dbraw/zinc/74/36/00/405743600.db2.gz FFILDAFNSJEANP-PLPKTUSISA-N 0 3 314.385 2.071 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](CO)[C@H]1C)C(C)C ZINC000494671476 405743505 /nfs/dbraw/zinc/74/35/05/405743505.db2.gz DANJUSPYFDEBEV-IXDOHACOSA-N 0 3 323.481 2.097 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2OCC3)CC1 ZINC000529195087 405750885 /nfs/dbraw/zinc/75/08/85/405750885.db2.gz NTNVVLQGAIKQKT-UHFFFAOYSA-N 0 3 301.390 2.393 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)Nc2ccc(COC)c(C#N)c2)C1 ZINC000529208525 405751442 /nfs/dbraw/zinc/75/14/42/405751442.db2.gz DWICLMLXQPNJLJ-MRXNPFEDSA-N 0 3 316.405 2.310 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)COc1ccccc1C#N ZINC000530233309 405776871 /nfs/dbraw/zinc/77/68/71/405776871.db2.gz DWDMOOLZRIMRIW-OHNRDTAOSA-N 0 3 324.380 2.410 20 30 DEEDHN N#Cc1cnc(N[C@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000450320648 405831315 /nfs/dbraw/zinc/83/13/15/405831315.db2.gz WNSOXQCRRCFPBA-LBPRGKRZSA-N 0 3 301.350 2.290 20 30 DEEDHN CC(C)O[C@@]1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000529971426 405771607 /nfs/dbraw/zinc/77/16/07/405771607.db2.gz VWWAHXZXYRMCME-NUJGCVRESA-N 0 3 311.385 2.313 20 30 DEEDHN C#CCCCN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495221456 405845215 /nfs/dbraw/zinc/84/52/15/405845215.db2.gz MWYKKABSBWBIKB-LSDHHAIUSA-N 0 3 310.438 2.404 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000495828232 405936706 /nfs/dbraw/zinc/93/67/06/405936706.db2.gz VAEVTLNSJMORHB-KBPBESRZSA-N 0 3 307.394 2.150 20 30 DEEDHN C=CCOc1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)cc1OC ZINC000628368147 405946483 /nfs/dbraw/zinc/94/64/83/405946483.db2.gz PFTBVFSUHQTMAT-HNNXBMFYSA-N 0 3 318.417 2.313 20 30 DEEDHN CN(C)CC(C)(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000459544276 405949254 /nfs/dbraw/zinc/94/92/54/405949254.db2.gz DEURZRTUUZJCSZ-UHFFFAOYSA-N 0 3 308.813 2.080 20 30 DEEDHN Cc1ccc(=NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)[nH]n1 ZINC000496085686 405950007 /nfs/dbraw/zinc/95/00/07/405950007.db2.gz XVMGDVREIKNCGL-SNVBAGLBSA-N 0 3 319.365 2.109 20 30 DEEDHN COc1ccc([C@H](CO)CNCc2cc(C#N)cs2)cc1 ZINC000459727471 406022514 /nfs/dbraw/zinc/02/25/14/406022514.db2.gz FJFNANTWSPJALP-AWEZNQCLSA-N 0 3 302.399 2.494 20 30 DEEDHN C=CCOCCCN1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026884 406022736 /nfs/dbraw/zinc/02/27/36/406022736.db2.gz URWUBJRBXMJOEE-OAHLLOKOSA-N 0 3 305.422 2.193 20 30 DEEDHN C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N1CCCC1 ZINC000532007780 406033286 /nfs/dbraw/zinc/03/32/86/406033286.db2.gz RTXMDSAHEGWMQF-AWEZNQCLSA-N 0 3 315.417 2.316 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000459755215 406033738 /nfs/dbraw/zinc/03/37/38/406033738.db2.gz JTSDINJTNUCUFC-APHBMKBZSA-N 0 3 313.401 2.432 20 30 DEEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2sccc2C#N)C12CCC2 ZINC000459755095 406033902 /nfs/dbraw/zinc/03/39/02/406033902.db2.gz JOUMRXVXJQVQBR-NEPJUHHUSA-N 0 3 305.403 2.105 20 30 DEEDHN N#CCCCNC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000565771116 406083249 /nfs/dbraw/zinc/08/32/49/406083249.db2.gz YLLFFJUQOOYXDJ-LBPRGKRZSA-N 0 3 302.296 2.338 20 30 DEEDHN C=C(C)CN(CC[C@@H]1CCNC1=O)Cc1cnn(C(C)C)c1 ZINC000566426072 406088748 /nfs/dbraw/zinc/08/87/48/406088748.db2.gz MNPPEEXBOHANGN-INIZCTEOSA-N 0 3 304.438 2.368 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCC2(C#N)CC2)CN1Cc1ccccc1 ZINC000562936984 406056414 /nfs/dbraw/zinc/05/64/14/406056414.db2.gz ASEHDVLNXCIMSO-HOCLYGCPSA-N 0 3 312.417 2.252 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000562852142 406056659 /nfs/dbraw/zinc/05/66/59/406056659.db2.gz NAFIPNUWMKVGFG-XHSDSOJGSA-N 0 3 309.454 2.140 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCC2(C#N)CCC2)C[C@@H](C)C1 ZINC000563629277 406061186 /nfs/dbraw/zinc/06/11/86/406061186.db2.gz YCMJVIZJWSIYCH-KKUMJFAQSA-N 0 3 304.438 2.052 20 30 DEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc2c(c1)CCCC2 ZINC000564873932 406067448 /nfs/dbraw/zinc/06/74/48/406067448.db2.gz UWLATAXSSZLTRV-DNVCBOLYSA-N 0 3 315.461 2.422 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000565166763 406070120 /nfs/dbraw/zinc/07/01/20/406070120.db2.gz UYKXSZTVENMHFL-AEGPPILISA-N 0 3 322.474 2.400 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CNc1cccc(C#N)c1 ZINC000479611183 406169537 /nfs/dbraw/zinc/16/95/37/406169537.db2.gz CENKBMBWBJJICA-CQSZACIVSA-N 0 3 314.433 2.159 20 30 DEEDHN N#CC1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000517341217 406125412 /nfs/dbraw/zinc/12/54/12/406125412.db2.gz YFNGIUMBMPNTHM-MRXNPFEDSA-N 0 3 312.417 2.254 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000517558617 406126935 /nfs/dbraw/zinc/12/69/35/406126935.db2.gz BNQMDAOWKQWFMH-QGZVFWFLSA-N 0 3 319.449 2.030 20 30 DEEDHN N#C[C@H]1CC[C@H](NCc2ccnc(OC3CCOCC3)c2)C1 ZINC000569303846 406232705 /nfs/dbraw/zinc/23/27/05/406232705.db2.gz AIOQSZCPAFZACM-ZFWWWQNUSA-N 0 3 301.390 2.421 20 30 DEEDHN CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000568975248 292381188 /nfs/dbraw/zinc/38/11/88/292381188.db2.gz CCMRBNYNGDGAMO-GOSISDBHSA-N 0 3 324.380 2.290 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccnc(C#N)n1 ZINC000569001762 292383524 /nfs/dbraw/zinc/38/35/24/292383524.db2.gz KGELZBOQCSFDNO-LSDHHAIUSA-N 0 3 307.401 2.447 20 30 DEEDHN CCN1CCN([C@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000487889236 406268856 /nfs/dbraw/zinc/26/88/56/406268856.db2.gz AFDCCBJAQXCUPO-IBGZPJMESA-N 0 3 312.461 2.079 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000545999202 406342329 /nfs/dbraw/zinc/34/23/29/406342329.db2.gz LBOSZIPVDGYRLL-AAEUAGOBSA-N 0 3 302.378 2.171 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000570511969 406403265 /nfs/dbraw/zinc/40/32/65/406403265.db2.gz LOFATYDPBSAPKG-WBVHZDCISA-N 0 3 313.401 2.388 20 30 DEEDHN N#CCC1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000570236653 406365967 /nfs/dbraw/zinc/36/59/67/406365967.db2.gz JXXAWKWQNRCGRW-MRXNPFEDSA-N 0 3 312.417 2.104 20 30 DEEDHN CC[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000571030610 406469290 /nfs/dbraw/zinc/46/92/90/406469290.db2.gz VIWDLDMBLCZADC-OAHLLOKOSA-N 0 3 323.462 2.317 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(-c3nnco3)ccc2C)CC1 ZINC000490594391 406473200 /nfs/dbraw/zinc/47/32/00/406473200.db2.gz OLVVOMQZRQGEDH-UHFFFAOYSA-N 0 3 324.384 2.329 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCOc2ccccc2C)CC1 ZINC000490616493 406476178 /nfs/dbraw/zinc/47/61/78/406476178.db2.gz KSIFOJCAOSHHHE-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000490689854 406483002 /nfs/dbraw/zinc/48/30/02/406483002.db2.gz QAOQNIVGNRKWMB-WMLDXEAASA-N 0 3 317.408 2.453 20 30 DEEDHN C#CCN(C)CCCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000491483577 406601700 /nfs/dbraw/zinc/60/17/00/406601700.db2.gz CJVXKUWMDPDENS-OAHLLOKOSA-N 0 3 311.433 2.181 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000491540143 406614944 /nfs/dbraw/zinc/61/49/44/406614944.db2.gz PGKQDHGNCNLRHZ-QWHCGFSZSA-N 0 3 309.410 2.252 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000572353264 406650127 /nfs/dbraw/zinc/65/01/27/406650127.db2.gz DGJPEVVFCBSETK-ZDUSSCGKSA-N 0 3 302.378 2.125 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000491679794 406665529 /nfs/dbraw/zinc/66/55/29/406665529.db2.gz XZBCVSLDBALLBZ-UHFFFAOYSA-N 0 3 315.417 2.424 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000491633172 406641564 /nfs/dbraw/zinc/64/15/64/406641564.db2.gz RKZAEYXTHPAMTN-YFHOEESVSA-N 0 3 322.355 2.373 20 30 DEEDHN C#C[C@@H](NC(=O)NC1CCN(CC)CC1)c1ccc(F)cc1 ZINC000491817187 406734025 /nfs/dbraw/zinc/73/40/25/406734025.db2.gz NXKVBQCMXZRLNZ-MRXNPFEDSA-N 0 3 303.381 2.284 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\c1ccnn1C)C(C)C ZINC000491862729 406752953 /nfs/dbraw/zinc/75/29/53/406752953.db2.gz BCNAWWBLWXMMES-XZVRFQMRSA-N 0 3 316.449 2.248 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000552420665 406709843 /nfs/dbraw/zinc/70/98/43/406709843.db2.gz OCWXLHBXFIJOMT-VNQPRFMTSA-N 0 3 313.401 2.021 20 30 DEEDHN N#CCCCOc1cccc(CNCCN2CCCC2=O)c1 ZINC000574332855 406781784 /nfs/dbraw/zinc/78/17/84/406781784.db2.gz WLHKTLFGLYBVID-UHFFFAOYSA-N 0 3 301.390 2.081 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](c2nccn2C)C1 ZINC000575878288 406827237 /nfs/dbraw/zinc/82/72/37/406827237.db2.gz DKLVQJNWZBRECM-GJZGRUSLSA-N 0 3 304.438 2.023 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000555190494 406835133 /nfs/dbraw/zinc/83/51/33/406835133.db2.gz HSPMSMGZHOSNKI-UHFFFAOYSA-N 0 3 308.385 2.253 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000555564238 406847896 /nfs/dbraw/zinc/84/78/96/406847896.db2.gz FUFQZMKJRZVWBM-CQSZACIVSA-N 0 3 300.406 2.112 20 30 DEEDHN CC#CC[C@@H](CO)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000641769680 406888529 /nfs/dbraw/zinc/88/85/29/406888529.db2.gz XWAZORVQIRYQQN-FUHWJXTLSA-N 0 3 303.402 2.108 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000555459554 406844170 /nfs/dbraw/zinc/84/41/70/406844170.db2.gz ZPCQPBULBCBDIW-GUTXKFCHSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)[C@@H]1CNCCC1(F)F ZINC000644052176 407077511 /nfs/dbraw/zinc/07/75/11/407077511.db2.gz JVNQIBVVJNCZEU-ZDUSSCGKSA-N 0 3 310.344 2.112 20 30 DEEDHN C[C@@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C(=O)N(C)CCC#N ZINC000412066227 287061895 /nfs/dbraw/zinc/06/18/95/287061895.db2.gz GILPOQBJVQTMQU-MCIONIFRSA-N 0 3 309.454 2.319 20 30 DEEDHN C=CCNC(=O)CN[C@](C)(CC)COc1ncccc1Cl ZINC000136234641 196527025 /nfs/dbraw/zinc/52/70/25/196527025.db2.gz DONGOWJOBQBYIQ-OAHLLOKOSA-N 0 3 311.813 2.174 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N2CC[C@H](O)C23CCCC3)C1 ZINC000330353751 287346765 /nfs/dbraw/zinc/34/67/65/287346765.db2.gz OVCZQJZUGIYDNL-CABCVRRESA-N 0 3 309.454 2.012 20 30 DEEDHN N#CC1CCC(CNCc2cn(Cc3cccnc3)nn2)CC1 ZINC000281790210 225543474 /nfs/dbraw/zinc/54/34/74/225543474.db2.gz ULNGLCYZELNMMI-UHFFFAOYSA-N 0 3 310.405 2.141 20 30 DEEDHN CN(C(=O)CCCC#N)C1CCN(CCc2ccccn2)CC1 ZINC000292150726 225695235 /nfs/dbraw/zinc/69/52/35/225695235.db2.gz DRNOHANVMPBZSS-UHFFFAOYSA-N 0 3 314.433 2.241 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329713607 225920013 /nfs/dbraw/zinc/92/00/13/225920013.db2.gz RSTLIXNZFFPXBM-UMVBOHGHSA-N 0 3 324.469 2.460 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000337560682 226138272 /nfs/dbraw/zinc/13/82/72/226138272.db2.gz VCKAJVQWJAPQQU-FMKPAKJESA-N 0 3 313.401 2.298 20 30 DEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347740690 226639763 /nfs/dbraw/zinc/63/97/63/226639763.db2.gz NODNOETWYCIZNV-NSHDSACASA-N 0 3 303.318 2.124 20 30 DEEDHN C[C@H]1CN(CCCNc2ccc(C#N)c([N+](=O)[O-])c2)CCCO1 ZINC000291001819 222063337 /nfs/dbraw/zinc/06/33/37/222063337.db2.gz VEVINGTWZDENDD-ZDUSSCGKSA-N 0 3 318.377 2.379 20 30 DEEDHN COC[C@@](C)(C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413632117 228350685 /nfs/dbraw/zinc/35/06/85/228350685.db2.gz ZGQDGFTUPIBFFV-GOSISDBHSA-N 0 3 315.417 2.331 20 30 DEEDHN CN(C)C[C@H](NC(=O)NCC1(C#N)CCC1)c1ccc(F)cc1 ZINC000419625885 229544821 /nfs/dbraw/zinc/54/48/21/229544821.db2.gz BSOQTHIMAYQNTJ-HNNXBMFYSA-N 0 3 318.396 2.421 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc(C3CC3)n2)[C@H]1C ZINC001088894602 782027301 /nfs/dbraw/zinc/02/73/01/782027301.db2.gz JSUCZPAEOPSZOK-OCCSQVGLSA-N 0 3 300.406 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)nc2OC)[C@H]1C ZINC001088902887 782033876 /nfs/dbraw/zinc/03/38/76/782033876.db2.gz PLKSURWYSNAKOF-HIFRSBDPSA-N 0 3 303.406 2.167 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)[C@H]1C ZINC001088904646 782034710 /nfs/dbraw/zinc/03/47/10/782034710.db2.gz SDIQSQWFUVDYKX-CAEUUNHDSA-N 0 3 308.425 2.175 20 30 DEEDHN C#CCN(C)CCCNc1ncnc2cc(F)c(OC)cc21 ZINC000491154331 421194944 /nfs/dbraw/zinc/19/49/44/421194944.db2.gz ILKZLSGOYWQCBP-UHFFFAOYSA-N 0 3 302.353 2.145 20 30 DEEDHN Cc1[nH]nc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000601680585 422425565 /nfs/dbraw/zinc/42/55/65/422425565.db2.gz SBIUYQVNNFTVQM-CQSZACIVSA-N 0 3 309.373 2.050 20 30 DEEDHN C[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(OCC#N)cc1 ZINC000834916359 649860127 /nfs/dbraw/zinc/86/01/27/649860127.db2.gz WNHVYJWRCAZTSY-QRTARXTBSA-N 0 3 313.401 2.393 20 30 DEEDHN CN1CCC(n2ccc(NC(=O)Nc3ccc(C#N)cc3)n2)CC1 ZINC000369665916 424875918 /nfs/dbraw/zinc/87/59/18/424875918.db2.gz UNCGCTBSLPVWIW-UHFFFAOYSA-N 0 3 324.388 2.665 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000574001495 424941684 /nfs/dbraw/zinc/94/16/84/424941684.db2.gz WMUVIBMZUCRMHP-GOEBONIOSA-N 0 3 307.401 2.837 20 30 DEEDHN CSc1ccc([C@H](CNc2ccc(C#N)nn2)N(C)C)cc1 ZINC000590150762 424996869 /nfs/dbraw/zinc/99/68/69/424996869.db2.gz CDFZTACJDCFVKT-HNNXBMFYSA-N 0 3 313.430 2.785 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000596055189 425017127 /nfs/dbraw/zinc/01/71/27/425017127.db2.gz PADLSBVCLITHOX-OAHLLOKOSA-N 0 3 313.380 2.765 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](C)N2CCc3ccccc3C2)n1 ZINC000596077728 425017489 /nfs/dbraw/zinc/01/74/89/425017489.db2.gz XKAMZSXKIDBCIN-CQSZACIVSA-N 0 3 321.428 2.769 20 30 DEEDHN C=CCC1(NC(=O)Nc2ccn(CCN(C)C)n2)CCCCC1 ZINC000454858539 425092586 /nfs/dbraw/zinc/09/25/86/425092586.db2.gz JBNFAIWDJYQMGL-UHFFFAOYSA-N 0 3 319.453 2.845 20 30 DEEDHN C=CC[C@H]1CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000651741349 425145358 /nfs/dbraw/zinc/14/53/58/425145358.db2.gz HIBBVMLQTHGBQS-STQMWFEESA-N 0 3 314.476 2.361 20 30 DEEDHN C=CCN1CC[C@H](N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)C1=O ZINC000656689929 425160217 /nfs/dbraw/zinc/16/02/17/425160217.db2.gz XEGIEFZMWBXKOH-KKUMJFAQSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660990830 425293702 /nfs/dbraw/zinc/29/37/02/425293702.db2.gz IEIOFHJMZUPYKV-HOCLYGCPSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](COC)CC(C)(C)C)CC1 ZINC000654431753 425352001 /nfs/dbraw/zinc/35/20/01/425352001.db2.gz YLUZEWMNFHVESK-OAHLLOKOSA-N 0 3 311.470 2.387 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC3(CCCC3)O2)CC1 ZINC000654431356 425352229 /nfs/dbraw/zinc/35/22/29/425352229.db2.gz HEEPJDAUGGCIFH-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN C=CCN(CCc1c(C)nc2ccccn2c1=O)[C@@H](C)COC ZINC000661240118 425359348 /nfs/dbraw/zinc/35/93/48/425359348.db2.gz LVTVKWVTAGLFPK-AWEZNQCLSA-N 0 3 315.417 2.068 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654598999 425394165 /nfs/dbraw/zinc/39/41/65/425394165.db2.gz MZSQXFQGXNCNNQ-GJZGRUSLSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCCNC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000664626447 425424097 /nfs/dbraw/zinc/42/40/97/425424097.db2.gz SZFODQJDXARLEC-QGZVFWFLSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCC1(NC(=O)C(=O)Nc2cc(C)cc(CN)c2)CCCC1 ZINC000659103731 425528438 /nfs/dbraw/zinc/52/84/38/425528438.db2.gz VLFQGUSLYHAMSA-UHFFFAOYSA-N 0 3 315.417 2.397 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661983742 425533963 /nfs/dbraw/zinc/53/39/63/425533963.db2.gz LIOVNLSZNJRAMG-WBVHZDCISA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN(CC(=O)NC[C@@H]1Cc2ccccc2O1)C(C)(C)C ZINC000661756935 425495174 /nfs/dbraw/zinc/49/51/74/425495174.db2.gz YBPBDRHGLDPVFT-HNNXBMFYSA-N 0 3 302.418 2.393 20 30 DEEDHN C=C[C@H](CO)NC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000662167494 425581204 /nfs/dbraw/zinc/58/12/04/425581204.db2.gz GLQGOTPTASTECX-MSOLQXFVSA-N 0 3 313.397 2.230 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662316901 425621763 /nfs/dbraw/zinc/62/17/63/425621763.db2.gz XKRDMHMQQPRXJE-QRQLOZEOSA-N 0 3 318.461 2.468 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000514837097 269333283 /nfs/dbraw/zinc/33/32/83/269333283.db2.gz ROIUQEIRTSGHTE-ARFHVFGLSA-N 0 3 313.401 2.067 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCO[C@H]21 ZINC000516246369 269360693 /nfs/dbraw/zinc/36/06/93/269360693.db2.gz WYTKNZVZXSHYAO-USXIJHARSA-N 0 3 313.401 2.290 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CC[C@H](CO)O2)c(C(F)(F)F)c1 ZINC000353690014 274922883 /nfs/dbraw/zinc/92/28/83/274922883.db2.gz QXIAGLMEAFZGPA-CHWSQXEVSA-N 0 3 314.307 2.207 20 30 DEEDHN CCOC(=O)[C@H]1CN(CCC2(C#N)CCCCC2)CC12COC2 ZINC000411772447 276294275 /nfs/dbraw/zinc/29/42/75/276294275.db2.gz QPARPFTWFFBNDP-OAHLLOKOSA-N 0 3 320.433 2.362 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1(O)CCCC1)C(C)C ZINC000171628352 277851046 /nfs/dbraw/zinc/85/10/46/277851046.db2.gz UNWPWAPIXRTDOZ-MRXNPFEDSA-N 0 3 323.481 2.289 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000270415542 278148107 /nfs/dbraw/zinc/14/81/07/278148107.db2.gz BYOPSAAWFDXDKN-APPUJDCNSA-N 0 3 315.442 2.075 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CCCOC1 ZINC000174146608 279218573 /nfs/dbraw/zinc/21/85/73/279218573.db2.gz XUDJGTHNYAFFBG-CABCVRRESA-N 0 3 307.438 2.076 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000329455811 279323477 /nfs/dbraw/zinc/32/34/77/279323477.db2.gz MSAIHIOYKPJKCW-BGMSHATGSA-N 0 3 322.409 2.240 20 30 DEEDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000349780725 279383304 /nfs/dbraw/zinc/38/33/04/279383304.db2.gz DBWKUNQNJADQJX-AWEZNQCLSA-N 0 3 315.483 2.109 20 30 DEEDHN CN(C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000328876119 289304255 /nfs/dbraw/zinc/30/42/55/289304255.db2.gz GELTXPGVPOBGHQ-HZSPNIEDSA-N 0 3 316.467 2.031 20 30 DEEDHN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329325983 293791672 /nfs/dbraw/zinc/79/16/72/293791672.db2.gz TWIKOAMUNRHEDZ-ZFWWWQNUSA-N 0 3 319.453 2.264 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1(C)C ZINC000329367781 294007926 /nfs/dbraw/zinc/00/79/26/294007926.db2.gz JACSMPZBBLIDFY-SOMZYNEFSA-N 0 3 309.454 2.032 20 30 DEEDHN CC(C)(C)C(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000573713446 326084883 /nfs/dbraw/zinc/08/48/83/326084883.db2.gz SJHHSWIRTCXYSX-UHFFFAOYSA-N 0 3 323.462 2.389 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)s1 ZINC000575812135 326247870 /nfs/dbraw/zinc/24/78/70/326247870.db2.gz HIXQEGGMPVDOCA-JKSUJKDBSA-N 0 3 311.410 2.321 20 30 DEEDHN Cn1ncc2c1CCCN(CCC(=O)Nc1ccccc1C#N)C2 ZINC000576365955 326288871 /nfs/dbraw/zinc/28/88/71/326288871.db2.gz JTMDLKYLXNAYDS-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H](O)CN(C)CCC#N ZINC000570444502 332756193 /nfs/dbraw/zinc/75/61/93/332756193.db2.gz QJETYIQMWNGHOS-QWQRMKEZSA-N 0 3 319.424 2.245 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000572835105 333658468 /nfs/dbraw/zinc/65/84/68/333658468.db2.gz NNHQVROOJVKACZ-SUMWQHHRSA-N 0 3 323.387 2.138 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000174372280 337140283 /nfs/dbraw/zinc/14/02/83/337140283.db2.gz OAVNZSTWXUGBJL-CYBMUJFWSA-N 0 3 319.405 2.005 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000174372280 337140284 /nfs/dbraw/zinc/14/02/84/337140284.db2.gz OAVNZSTWXUGBJL-CYBMUJFWSA-N 0 3 319.405 2.005 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)CC1 ZINC000176244160 337149577 /nfs/dbraw/zinc/14/95/77/337149577.db2.gz MVZVVTHWGBEGTF-DNVCBOLYSA-N 0 3 316.445 2.308 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncncc1C#N ZINC000398174769 337308104 /nfs/dbraw/zinc/30/81/04/337308104.db2.gz VOBZLEFJGLHFRD-RHSMWYFYSA-N 0 3 307.401 2.093 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000177718398 340442932 /nfs/dbraw/zinc/44/29/32/340442932.db2.gz QBQWALUBFANFRR-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000187309990 340519050 /nfs/dbraw/zinc/51/90/50/340519050.db2.gz VMXFJHPCMCBBDD-DLBZAZTESA-N 0 3 306.450 2.042 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(CC#N)CC1 ZINC000542855013 341023783 /nfs/dbraw/zinc/02/37/83/341023783.db2.gz YLGDXFJIIBGDAT-LSDHHAIUSA-N 0 3 306.454 2.442 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)[C@H]1OC ZINC000248836937 341388177 /nfs/dbraw/zinc/38/81/77/341388177.db2.gz NWHQWKZOZMWEJA-WBQNTZJQSA-N 0 3 321.465 2.224 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001356997986 1152206056 /nfs/dbraw/zinc/20/60/56/1152206056.db2.gz ZIEQGANUPXCFPK-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN COC(=O)CCCN1CCC(=NNCc2ccccc2F)CC1 ZINC000835011579 649866077 /nfs/dbraw/zinc/86/60/77/649866077.db2.gz NUDDJXAICJQUMY-UHFFFAOYSA-N 0 3 321.396 2.320 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)[C@H]1C ZINC001089040040 782128686 /nfs/dbraw/zinc/12/86/86/782128686.db2.gz VGNOVRAYPSQVCL-DOMZBBRYSA-N 0 3 313.405 2.035 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC=C)cc1 ZINC001357205226 1152269981 /nfs/dbraw/zinc/26/99/81/1152269981.db2.gz URWRBBOFUIMIHV-HNNXBMFYSA-N 0 3 301.390 2.225 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccc(F)cc1 ZINC001357775770 1152337246 /nfs/dbraw/zinc/33/72/46/1152337246.db2.gz FMGCNTPJJSDNJC-JKSUJKDBSA-N 0 3 303.381 2.284 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@H]1CNC(=O)Cc1cnc[nH]1 ZINC001378460873 1152337489 /nfs/dbraw/zinc/33/74/89/1152337489.db2.gz DKVPGWUGCWAVNV-AWEZNQCLSA-N 0 3 310.829 2.066 20 30 DEEDHN COC(=O)c1ccc(N=NC2CN(C3CC3)C[C@@H]2C)cc1F ZINC000835018538 649866932 /nfs/dbraw/zinc/86/69/32/649866932.db2.gz PRQPHVZVCYRCQR-JTQLQIEISA-N 0 3 305.353 2.494 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1cncs1 ZINC001378540368 1152368318 /nfs/dbraw/zinc/36/83/18/1152368318.db2.gz SAKNPNNHNBROJI-LBPRGKRZSA-N 0 3 314.414 2.170 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001329994173 1149029282 /nfs/dbraw/zinc/02/92/82/1149029282.db2.gz HYDOFUSZLQXKSD-BTTYYORXSA-N 0 3 313.392 2.370 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCc2csc(C)n2)C1 ZINC001330056585 1149042846 /nfs/dbraw/zinc/04/28/46/1149042846.db2.gz ZRVCWZNXQGWKPP-GFCCVEGCSA-N 0 3 307.463 2.397 20 30 DEEDHN CCC(CC)CN1CCO[C@@]2(CCN(C(=O)C#CC(C)C)C2)C1 ZINC001330158627 1149056202 /nfs/dbraw/zinc/05/62/02/1149056202.db2.gz BQMGJQNDSVYFRS-IBGZPJMESA-N 0 3 320.477 2.385 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001378743804 1152432485 /nfs/dbraw/zinc/43/24/85/1152432485.db2.gz NYUMOHRNTGTVIX-LRDDRELGSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@@H](C)COC)C1 ZINC001440403639 1181487596 /nfs/dbraw/zinc/48/75/96/1181487596.db2.gz FJIQBPHIJKIAPE-KWCYVHTRSA-N 0 3 302.846 2.286 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cc(OC)ccc1Cl ZINC001400792604 1161822015 /nfs/dbraw/zinc/82/20/15/1161822015.db2.gz DNRVVXDFJGYMRT-AAEUAGOBSA-N 0 3 323.824 2.493 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001401085371 1161869578 /nfs/dbraw/zinc/86/95/78/1161869578.db2.gz AOIIVIMWOMOTKH-ZIAGYGMSSA-N 0 3 310.829 2.167 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001401203539 1161893426 /nfs/dbraw/zinc/89/34/26/1161893426.db2.gz MGPIRILLLOUXLI-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H]1CN(CCCCNc2ncc(C#N)cc2F)C[C@H](C)O1 ZINC000413186454 533929273 /nfs/dbraw/zinc/92/92/73/533929273.db2.gz PEQOGUGBORBJQK-STQMWFEESA-N 0 3 306.385 2.394 20 30 DEEDHN CCOCC1(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001401634339 1162053070 /nfs/dbraw/zinc/05/30/70/1162053070.db2.gz XFDDDRBNMMNCEF-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(CC)CC1)C(C)C ZINC000079440501 517328143 /nfs/dbraw/zinc/32/81/43/517328143.db2.gz WRYVJFPRBQFPEM-QGZVFWFLSA-N 0 3 322.497 2.032 20 30 DEEDHN COC(=O)c1cn([C@@H]2CCN(CCCCC(C)(C)C#N)C2)nn1 ZINC000375716197 534304558 /nfs/dbraw/zinc/30/45/58/534304558.db2.gz AATXYJYTWGFAKH-CYBMUJFWSA-N 0 3 319.409 2.032 20 30 DEEDHN Cc1noc([C@@H]2CCN(CCCC3(C#N)CCOCC3)C2)n1 ZINC000331618131 534458689 /nfs/dbraw/zinc/45/86/89/534458689.db2.gz SSEDFGSCZARTAK-CQSZACIVSA-N 0 3 304.394 2.268 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000451569405 534580848 /nfs/dbraw/zinc/58/08/48/534580848.db2.gz SHGPETBFZQEYJI-IKGGRYGDSA-N 0 3 318.417 2.005 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000451600178 534610772 /nfs/dbraw/zinc/61/07/72/534610772.db2.gz QJBUKOLJFSWOII-XOUADPBQSA-N 0 3 318.417 2.194 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@]1(C)CCN(C(=O)CN(CC)CC)C1 ZINC001358804071 1152489453 /nfs/dbraw/zinc/48/94/53/1152489453.db2.gz MSJSKSODNFECRI-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)c1cnc(C)n1C ZINC001378931225 1152495290 /nfs/dbraw/zinc/49/52/90/1152495290.db2.gz ZPRQIUPKPCABRF-FZMZJTMJSA-N 0 3 324.856 2.311 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000338137057 525541617 /nfs/dbraw/zinc/54/16/17/525541617.db2.gz PJODLZAOGUNRRL-MRXNPFEDSA-N 0 3 303.431 2.034 20 30 DEEDHN C[C@@H](O)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000225780979 525747602 /nfs/dbraw/zinc/74/76/02/525747602.db2.gz CBJVJTDQPBIDAY-LLVKDONJSA-N 0 3 307.419 2.041 20 30 DEEDHN C=CCN(CCOC)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000190562847 526290001 /nfs/dbraw/zinc/29/00/01/526290001.db2.gz ASKYDOHWJBTYOI-UHFFFAOYSA-N 0 3 305.422 2.092 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)CN(C)C ZINC000288013160 526337457 /nfs/dbraw/zinc/33/74/57/526337457.db2.gz MGZLANOJRBNHOS-AWEZNQCLSA-N 0 3 305.422 2.343 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)OCCc2ccccc2)CC1 ZINC000294443809 526443464 /nfs/dbraw/zinc/44/34/64/526443464.db2.gz BCHFJRZQKIXXPV-MRXNPFEDSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000292907763 526445436 /nfs/dbraw/zinc/44/54/36/526445436.db2.gz VIILDEKIPHDLHX-CYBMUJFWSA-N 0 3 316.401 2.285 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC(CCCn3ccnc3)CC2)C1=O ZINC000337186211 526476516 /nfs/dbraw/zinc/47/65/16/526476516.db2.gz DBVTWKDUHVHLQT-QGZVFWFLSA-N 0 3 316.449 2.162 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@@H](O)C(C)C)CC1 ZINC000413231507 526592398 /nfs/dbraw/zinc/59/23/98/526592398.db2.gz FULYXXRZDBOPCE-HOTGVXAUSA-N 0 3 311.470 2.122 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000262599992 526619111 /nfs/dbraw/zinc/61/91/11/526619111.db2.gz BPMKIWRAJXVRMY-CYBMUJFWSA-N 0 3 304.394 2.306 20 30 DEEDHN N#Cc1cccc(C[NH2+]CCCNC(=O)c2cccc([O-])c2)c1 ZINC000105426821 526707783 /nfs/dbraw/zinc/70/77/83/526707783.db2.gz PFUYJMGOKCTTDY-UHFFFAOYSA-N 0 3 309.369 2.174 20 30 DEEDHN N#Cc1cccc(NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000339218754 526722818 /nfs/dbraw/zinc/72/28/18/526722818.db2.gz XWCRFCHMEHNFDL-GOSISDBHSA-N 0 3 308.385 2.002 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000292779819 526771159 /nfs/dbraw/zinc/77/11/59/526771159.db2.gz KOTXYFISLXHWMW-QGZVFWFLSA-N 0 3 302.418 2.474 20 30 DEEDHN C=CCOCCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000339004131 526771695 /nfs/dbraw/zinc/77/16/95/526771695.db2.gz UEITYLDBIAGUBJ-UHFFFAOYSA-N 0 3 303.402 2.396 20 30 DEEDHN C=CCOCCN[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000339063979 526781995 /nfs/dbraw/zinc/78/19/95/526781995.db2.gz MDMUHHZWIUIGLH-SFHVURJKSA-N 0 3 304.434 2.161 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000294515997 526858491 /nfs/dbraw/zinc/85/84/91/526858491.db2.gz SWBTUMYTDASYNZ-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCN1CCC(C)CC1 ZINC000341416766 526962203 /nfs/dbraw/zinc/96/22/03/526962203.db2.gz IFAILRPAINDDCC-UHFFFAOYSA-N 0 3 303.406 2.108 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000245695603 527018699 /nfs/dbraw/zinc/01/86/99/527018699.db2.gz MMDWIKTUCIQJBX-HUUCEWRRSA-N 0 3 324.428 2.189 20 30 DEEDHN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411243493 527019462 /nfs/dbraw/zinc/01/94/62/527019462.db2.gz SVEDWNSUWAZFLL-CYBMUJFWSA-N 0 3 303.406 2.076 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000369618160 527019354 /nfs/dbraw/zinc/01/93/54/527019354.db2.gz BJMJEHWWMLSABV-NVXWUHKLSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CC[C@@H](CO)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000340781741 527056118 /nfs/dbraw/zinc/05/61/18/527056118.db2.gz QZVUXBJIMIUCDY-GFCCVEGCSA-N 0 3 301.346 2.470 20 30 DEEDHN C=CC[C@H](CO)CNCc1cc2c(cc1SC)OCCO2 ZINC000341324417 527185977 /nfs/dbraw/zinc/18/59/77/527185977.db2.gz RRVZXSSUAOPIQF-LBPRGKRZSA-N 0 3 309.431 2.454 20 30 DEEDHN C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000340795337 527397360 /nfs/dbraw/zinc/39/73/60/527397360.db2.gz CTHYMSRAOGBQRV-CYBMUJFWSA-N 0 3 303.406 2.158 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429015110 527634058 /nfs/dbraw/zinc/63/40/58/527634058.db2.gz ZLYQCDPGCOJDPR-ZJPYXAASSA-N 0 3 319.493 2.238 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1CCOCC1)C(C)C ZINC000194830214 527646061 /nfs/dbraw/zinc/64/60/61/527646061.db2.gz WZLINKDEWOLWBX-KRWDZBQOSA-N 0 3 323.481 2.411 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422219727 527940142 /nfs/dbraw/zinc/94/01/42/527940142.db2.gz PJAVQWOCGAAINC-UHFFFAOYSA-N 0 3 308.451 2.349 20 30 DEEDHN CC(C)OCCN1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000337200774 527962728 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C=CCCC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735413700 599267586 /nfs/dbraw/zinc/26/75/86/599267586.db2.gz XXFMXNDIOWUBBZ-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=CCCC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735413700 599267587 /nfs/dbraw/zinc/26/75/87/599267587.db2.gz XXFMXNDIOWUBBZ-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN C=CCCC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735413700 599267589 /nfs/dbraw/zinc/26/75/89/599267589.db2.gz XXFMXNDIOWUBBZ-UHFFFAOYSA-N 0 3 312.421 2.345 20 30 DEEDHN Cc1ncc(CN2CC[C@@H](NC(=O)[C@H](C)C#N)CC(C)(C)C2)o1 ZINC001368824573 1148691632 /nfs/dbraw/zinc/69/16/32/1148691632.db2.gz GKCJDWHIGNWUSS-TZMCWYRMSA-N 0 3 318.421 2.250 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001330570956 1149199175 /nfs/dbraw/zinc/19/91/75/1149199175.db2.gz IMIBFDDGKIZANU-MRXNPFEDSA-N 0 3 300.402 2.154 20 30 DEEDHN C=C(C)COCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823877940 608522654 /nfs/dbraw/zinc/52/26/54/608522654.db2.gz 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306.356 2.111 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccsc2COC)C1 ZINC001025457434 625449303 /nfs/dbraw/zinc/44/93/03/625449303.db2.gz CFIBSNIWYOAHBM-KBPBESRZSA-N 0 3 320.458 2.358 20 30 DEEDHN COCCN(C[C@H](O)C(F)(F)F)CC1CCC(C#N)CC1 ZINC000930883438 625454404 /nfs/dbraw/zinc/45/44/04/625454404.db2.gz FGDHOTUYAVMVDQ-BPCQOVAHSA-N 0 3 308.344 2.188 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001025461903 625455965 /nfs/dbraw/zinc/45/59/65/625455965.db2.gz XWTVPTKQYAQTPI-LSDHHAIUSA-N 0 3 316.449 2.102 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459765 625453114 /nfs/dbraw/zinc/45/31/14/625453114.db2.gz SCSTWWXELZIKQJ-UONOGXRCSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC001025482183 625475197 /nfs/dbraw/zinc/47/51/97/625475197.db2.gz NDIDRBDFVHCFEE-HZPDHXFCSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3ncccc3o2)C1 ZINC001025484453 625476221 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GPRRMLHDAFGAJS-GASCZTMLSA-N 0 3 311.410 2.175 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2scnc2C(F)F)C1 ZINC000971922094 624718953 /nfs/dbraw/zinc/71/89/53/624718953.db2.gz IWVUMOYSFHIIQT-SECBINFHSA-N 0 3 301.362 2.413 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001027660799 634405733 /nfs/dbraw/zinc/40/57/33/634405733.db2.gz ATCUTQITKBCWHU-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001022612431 624782674 /nfs/dbraw/zinc/78/26/74/624782674.db2.gz YNNJDAWFRGQITO-BETUJISGSA-N 0 3 309.797 2.002 20 30 DEEDHN COC(=O)c1cccc(CN[C@H](C)Cc2cccnc2)c1C#N ZINC000934234876 624795020 /nfs/dbraw/zinc/79/50/20/624795020.db2.gz RGXSVZCVSNDUPF-CYBMUJFWSA-N 0 3 309.369 2.461 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000972057936 624809965 /nfs/dbraw/zinc/80/99/65/624809965.db2.gz CWVDXJIYYZVQQX-NVXWUHKLSA-N 0 3 300.402 2.019 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC000972072948 624819676 /nfs/dbraw/zinc/81/96/76/624819676.db2.gz MQVRGDUBWZSKBZ-OAHLLOKOSA-N 0 3 304.438 2.018 20 30 DEEDHN Cc1nocc1C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972223432 624894359 /nfs/dbraw/zinc/89/43/59/624894359.db2.gz WDGBASYAFWEBQY-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3n2C)C[C@@H]1C ZINC000947668716 625034870 /nfs/dbraw/zinc/03/48/70/625034870.db2.gz YQOWVEMKUOHSHA-GOEBONIOSA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001024751563 625035115 /nfs/dbraw/zinc/03/51/15/625035115.db2.gz GWUKVRSLAFOBBO-OAHLLOKOSA-N 0 3 316.449 2.449 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001024751563 625035121 /nfs/dbraw/zinc/03/51/21/625035121.db2.gz GWUKVRSLAFOBBO-OAHLLOKOSA-N 0 3 316.449 2.449 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000972398236 625055266 /nfs/dbraw/zinc/05/52/66/625055266.db2.gz YBYBOZFHIOKEEE-GFCCVEGCSA-N 0 3 316.430 2.471 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000972420946 625067170 /nfs/dbraw/zinc/06/71/70/625067170.db2.gz HRLJWHSLCMQTNL-LLVKDONJSA-N 0 3 313.323 2.433 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001024826682 625067932 /nfs/dbraw/zinc/06/79/32/625067932.db2.gz WVSZSBNZCJHMPI-NVXWUHKLSA-N 0 3 312.413 2.157 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001024824988 625068084 /nfs/dbraw/zinc/06/80/84/625068084.db2.gz BLAKWMRFFBSWBO-OAHLLOKOSA-N 0 3 304.438 2.143 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCOCC2)C[C@H]1C ZINC000947526908 625107063 /nfs/dbraw/zinc/10/70/63/625107063.db2.gz AXKRDSZBHIGWNU-ZBFHGGJFSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3cnccc3s2)C[C@@H]1C ZINC000947527162 625107227 /nfs/dbraw/zinc/10/72/27/625107227.db2.gz GECQQVFULXPANL-NWDGAFQWSA-N 0 3 316.430 2.460 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001022944717 625112379 /nfs/dbraw/zinc/11/23/79/625112379.db2.gz SMCDIODUMYXJEQ-MQYQWHSLSA-N 0 3 300.830 2.181 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)c(C)nc2C)C[C@H]1C ZINC000947529860 625120707 /nfs/dbraw/zinc/12/07/07/625120707.db2.gz WGQAXHWVPDSMRD-WBMJQRKESA-N 0 3 314.433 2.008 20 30 DEEDHN CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001023008260 625132452 /nfs/dbraw/zinc/13/24/52/625132452.db2.gz VIEOZACWCAGUDP-OKILXGFUSA-N 0 3 303.381 2.480 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001025040478 625156241 /nfs/dbraw/zinc/15/62/41/625156241.db2.gz DWCPUHPHTKCXOY-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN CCC(=O)N1C[C@@H]2CC[C@H](NCc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001026159785 625161507 /nfs/dbraw/zinc/16/15/07/625161507.db2.gz PMYHQDHKUKKZNJ-XKQJLSEDSA-N 0 3 315.392 2.434 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000178940736 625188954 /nfs/dbraw/zinc/18/89/54/625188954.db2.gz SKKXPKYZBBRRQX-CQSZACIVSA-N 0 3 302.374 2.152 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001025069064 625192547 /nfs/dbraw/zinc/19/25/47/625192547.db2.gz AJHYYOIUBROVPW-CRAIPNDOSA-N 0 3 318.465 2.493 20 30 DEEDHN COc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1C#N ZINC000893195162 625220631 /nfs/dbraw/zinc/22/06/31/625220631.db2.gz UWEVHUVBJXZGGG-GJZGRUSLSA-N 0 3 320.364 2.290 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(F)cccc2OC)C1 ZINC001023389243 625247901 /nfs/dbraw/zinc/24/79/01/625247901.db2.gz VNFGFAQYTKERKR-ZDUSSCGKSA-N 0 3 306.381 2.462 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cncnc1C ZINC001025205233 625260609 /nfs/dbraw/zinc/26/06/09/625260609.db2.gz SVKZZTDLTIVTPR-DLBZAZTESA-N 0 3 314.433 2.430 20 30 DEEDHN Cc1cc(F)c(C#N)c(N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000893235839 625268657 /nfs/dbraw/zinc/26/86/57/625268657.db2.gz AVZOMXNJBSGIFY-AWEZNQCLSA-N 0 3 304.413 2.444 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CCCCN2C)C1 ZINC001023446192 625271780 /nfs/dbraw/zinc/27/17/80/625271780.db2.gz LNGQNPKYYAPYKS-LSDHHAIUSA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cnccc1C ZINC001025215202 625274445 /nfs/dbraw/zinc/27/44/45/625274445.db2.gz JPNFHXFWACRRTP-MSOLQXFVSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnccc1C ZINC001025215203 625274631 /nfs/dbraw/zinc/27/46/31/625274631.db2.gz JPNFHXFWACRRTP-QZTJIDSGSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnccc1C ZINC001025215204 625274727 /nfs/dbraw/zinc/27/47/27/625274727.db2.gz JPNFHXFWACRRTP-ROUUACIJSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2c(C)noc2Cl)C1 ZINC001027699984 634455008 /nfs/dbraw/zinc/45/50/08/634455008.db2.gz OMGJCLXBXDPKOQ-ZDUSSCGKSA-N 0 3 323.824 2.125 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001024458070 625786486 /nfs/dbraw/zinc/78/64/86/625786486.db2.gz YWCMLRRGZYILQM-GFCCVEGCSA-N 0 3 312.364 2.439 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cc3ccccc3n2C)C1 ZINC001027696186 634451677 /nfs/dbraw/zinc/45/16/77/634451677.db2.gz GCSRGXVPJSYRGC-QGZVFWFLSA-N 0 3 323.440 2.277 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001024523370 625837510 /nfs/dbraw/zinc/83/75/10/625837510.db2.gz PTBWEPUGVCLQLH-MRXNPFEDSA-N 0 3 316.449 2.308 20 30 DEEDHN CC1(C)CO[C@H](CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000892484390 625868594 /nfs/dbraw/zinc/86/85/94/625868594.db2.gz IRIVSUZQXHYUKH-CABCVRRESA-N 0 3 314.385 2.217 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ncc2ccccn21 ZINC001024550650 625870891 /nfs/dbraw/zinc/87/08/91/625870891.db2.gz MPFGABGUYHHBEC-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000892490880 625886050 /nfs/dbraw/zinc/88/60/50/625886050.db2.gz YRAXVPDQHIMRTR-CWSCBRNRSA-N 0 3 306.749 2.412 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2cncc(C)c2)C1 ZINC000999183974 634509761 /nfs/dbraw/zinc/50/97/61/634509761.db2.gz QDUQKOSYZDQRFL-UHFFFAOYSA-N 0 3 307.825 2.264 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC000999413248 634587197 /nfs/dbraw/zinc/58/71/97/634587197.db2.gz YZXZQIBGZBWPDX-JEYLPNPQSA-N 0 3 319.836 2.128 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001000091286 634737884 /nfs/dbraw/zinc/73/78/84/634737884.db2.gz GQJAOQBCUQMETO-YOEHRIQHSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001000093294 634739239 /nfs/dbraw/zinc/73/92/39/634739239.db2.gz VCEUSKMNUNWPCK-DOTOQJQBSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]cc3C)C[C@@H]2C1 ZINC000979714755 634744019 /nfs/dbraw/zinc/74/40/19/634744019.db2.gz DZQQAZZAFRDYER-BFHYXJOUSA-N 0 3 322.840 2.301 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c3ccccc32)C[C@@H]1C ZINC000947949369 634758577 /nfs/dbraw/zinc/75/85/77/634758577.db2.gz USJFBIOYWULMDF-UONOGXRCSA-N 0 3 312.417 2.342 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cccn3CC=C)CC2)CC1 ZINC001000179050 634779120 /nfs/dbraw/zinc/77/91/20/634779120.db2.gz WXGFHTCNIROLRS-UHFFFAOYSA-N 0 3 311.429 2.282 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC001000188419 634783511 /nfs/dbraw/zinc/78/35/11/634783511.db2.gz BLWAJZVKPDSCBH-BZUAXINKSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCc4cccnc43)CC2)CC1 ZINC001000242158 634819973 /nfs/dbraw/zinc/81/99/73/634819973.db2.gz BZTZZRVPTNUJHG-QGZVFWFLSA-N 0 3 323.440 2.105 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@H](CNCc2nc3ccccc3o2)C1 ZINC001026835017 633172615 /nfs/dbraw/zinc/17/26/15/633172615.db2.gz OMBSBLOMSKKEKO-OAHLLOKOSA-N 0 3 323.396 2.179 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2C2CCC2)C(C)(C)C1 ZINC000974599825 633174892 /nfs/dbraw/zinc/17/48/92/633174892.db2.gz FFRJCDZRDRJSHW-MRXNPFEDSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000996228662 633215970 /nfs/dbraw/zinc/21/59/70/633215970.db2.gz RMFGCZGHEWMCJP-YJBOKZPZSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC000996233696 633217946 /nfs/dbraw/zinc/21/79/46/633217946.db2.gz KYHSNIVWSCSICB-DYVFJYSZSA-N 0 3 319.453 2.042 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2COC)C(C)(C)C1 ZINC000974767909 633292706 /nfs/dbraw/zinc/29/27/06/633292706.db2.gz RCHJTBQSGXBFCE-QGZVFWFLSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)ccc2OC)C(C)(C)C1 ZINC000974794563 633303642 /nfs/dbraw/zinc/30/36/42/633303642.db2.gz ZEVKOOPLCUKAGY-QGZVFWFLSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000974805161 633307782 /nfs/dbraw/zinc/30/77/82/633307782.db2.gz HDTUAJLOKGEOEV-INIZCTEOSA-N 0 3 312.417 2.118 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](CNCc3ocnc3C)C2)cc1 ZINC001026984293 633327513 /nfs/dbraw/zinc/32/75/13/633327513.db2.gz NVMWNZOGOVUICT-INIZCTEOSA-N 0 3 323.396 2.216 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)C(C)(C)C1 ZINC000974890188 633358436 /nfs/dbraw/zinc/35/84/36/633358436.db2.gz KNWFNGBGBVVMMK-OAHLLOKOSA-N 0 3 304.438 2.379 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnc3ccncc32)C(C)(C)C1 ZINC000974898241 633362385 /nfs/dbraw/zinc/36/23/85/633362385.db2.gz QPFJNPXDWWQOTR-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CCCF)CC2(C)C)cc1 ZINC000974929466 633372863 /nfs/dbraw/zinc/37/28/63/633372863.db2.gz JSYWPACVZGLGDT-MRXNPFEDSA-N 0 3 302.393 2.468 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CN[C@H](C)c3cnccn3)C2)C1 ZINC001027050648 633377549 /nfs/dbraw/zinc/37/75/49/633377549.db2.gz HOLLCIHQULLIFS-HUUCEWRRSA-N 0 3 314.433 2.332 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn(CC)c2C)C(C)(C)C1 ZINC000974961793 633383141 /nfs/dbraw/zinc/38/31/41/633383141.db2.gz YNXRRSBLVAXFBG-MRXNPFEDSA-N 0 3 301.434 2.280 20 30 DEEDHN Cc1cccc(O[C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000124479272 633386531 /nfs/dbraw/zinc/38/65/31/633386531.db2.gz HRAMMXWQCTVZSA-UKRRQHHQSA-N 0 3 300.358 2.094 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)c1 ZINC000975011501 633390414 /nfs/dbraw/zinc/39/04/14/633390414.db2.gz MAQMPDMYBLWBJG-QGZVFWFLSA-N 0 3 311.429 2.469 20 30 DEEDHN N#CC(C(=O)COc1ccc(F)c(Cl)c1)C(=O)N1CCCC1 ZINC000124846937 633415217 /nfs/dbraw/zinc/41/52/17/633415217.db2.gz GPTGJXKWTSLEOU-NSHDSACASA-N 0 3 324.739 2.189 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000996869539 633472153 /nfs/dbraw/zinc/47/21/53/633472153.db2.gz JQFDHQKPVPQNTL-UHFFFAOYSA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)n2C)CC1 ZINC000996926491 633526620 /nfs/dbraw/zinc/52/66/20/633526620.db2.gz FACLPFDYQCBQEO-OAHLLOKOSA-N 0 3 301.434 2.187 20 30 DEEDHN C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC000996939299 633533096 /nfs/dbraw/zinc/53/30/96/633533096.db2.gz IFBOGJFLWLMNTF-CQSZACIVSA-N 0 3 300.402 2.246 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2coc(CC)n2)CC1 ZINC000997034116 633562744 /nfs/dbraw/zinc/56/27/44/633562744.db2.gz KYMSJGGTBDCAKC-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000112759083 633574205 /nfs/dbraw/zinc/57/42/05/633574205.db2.gz WRNGRBPIZLGYDW-HZSPNIEDSA-N 0 3 315.373 2.324 20 30 DEEDHN Cc1conc1C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000997151592 633652527 /nfs/dbraw/zinc/65/25/27/633652527.db2.gz GOHDQODOZWLYIR-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC000997201013 633672841 /nfs/dbraw/zinc/67/28/41/633672841.db2.gz QHKFAKZFEWEJGA-CQSZACIVSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nccc3[nH]ccc32)CC1 ZINC000997303521 633703633 /nfs/dbraw/zinc/70/36/33/633703633.db2.gz HUZJEKPYELBDHI-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(F)c(OC)c2)CC1 ZINC000997313085 633706149 /nfs/dbraw/zinc/70/61/49/633706149.db2.gz IGSOKGLGOASWHB-CYBMUJFWSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc(OC)c2F)CC1 ZINC000997363249 633715400 /nfs/dbraw/zinc/71/54/00/633715400.db2.gz RZKXJRMMRPMLLA-CYBMUJFWSA-N 0 3 318.392 2.298 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COc2ccc(F)cc2)cs1 ZINC000921588863 633738074 /nfs/dbraw/zinc/73/80/74/633738074.db2.gz UYBJYRZATUEBAP-ZDUSSCGKSA-N 0 3 306.362 2.288 20 30 DEEDHN CN(CCc1ccns1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027408091 633750722 /nfs/dbraw/zinc/75/07/22/633750722.db2.gz IKWSHXAOIGIAQH-HNNXBMFYSA-N 0 3 317.458 2.022 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC000997409134 633757837 /nfs/dbraw/zinc/75/78/37/633757837.db2.gz LYENMZVVFGARDC-CQSZACIVSA-N 0 3 311.429 2.423 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000997448466 633764580 /nfs/dbraw/zinc/76/45/80/633764580.db2.gz IZKRKDNONQEJNZ-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001027430619 633773931 /nfs/dbraw/zinc/77/39/31/633773931.db2.gz UWQVGEOWKOFSJS-CABCVRRESA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027442155 633795500 /nfs/dbraw/zinc/79/55/00/633795500.db2.gz BRQODCFYGLBELI-LSDHHAIUSA-N 0 3 313.873 2.002 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cncc(Cl)c2C)C1 ZINC001027450353 633805490 /nfs/dbraw/zinc/80/54/90/633805490.db2.gz NGVVSSXIZGGPSH-ZDUSSCGKSA-N 0 3 305.809 2.213 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(COC)o2)CC1 ZINC000948602272 633855905 /nfs/dbraw/zinc/85/59/05/633855905.db2.gz IRQZNQABHUWSFR-HNNXBMFYSA-N 0 3 318.417 2.376 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C(C)C)nn2CC)C1 ZINC001027476319 633858050 /nfs/dbraw/zinc/85/80/50/633858050.db2.gz JGDABMADWGAOKE-HNNXBMFYSA-N 0 3 316.449 2.196 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C(C)(C)C1 ZINC000977287413 633912379 /nfs/dbraw/zinc/91/23/79/633912379.db2.gz CNZAOSXRUNJRHQ-BBWFWOEESA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cncc(Cl)c2)C(C)(C)C1 ZINC000977321601 633927503 /nfs/dbraw/zinc/92/75/03/633927503.db2.gz RKHMGYQZDUHQAB-AWEZNQCLSA-N 0 3 305.809 2.199 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn3ccccc23)C(C)(C)C1 ZINC000977352852 633938373 /nfs/dbraw/zinc/93/83/73/633938373.db2.gz VGQGMZBXDJHWDO-INIZCTEOSA-N 0 3 312.417 2.351 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC(C)C)cn2)[C@H](C)C1 ZINC000946309608 633955414 /nfs/dbraw/zinc/95/54/14/633955414.db2.gz CAWWWJGVIUYGMD-ZBFHGGJFSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C(C)(C)C1 ZINC000977392386 633960514 /nfs/dbraw/zinc/96/05/14/633960514.db2.gz UVSFMURQRDZDRJ-KRWDZBQOSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ccsc3[nH]2)C1 ZINC001027514957 633964153 /nfs/dbraw/zinc/96/41/53/633964153.db2.gz SQOCGSVXCSTAKH-CYBMUJFWSA-N 0 3 301.415 2.399 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cncc(OC(C)C)c2)C1 ZINC001027519593 633973743 /nfs/dbraw/zinc/97/37/43/633973743.db2.gz QVRQIJFNCPLOMQ-INIZCTEOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cncnc2C(C)C)CC1 ZINC000997864618 634013678 /nfs/dbraw/zinc/01/36/78/634013678.db2.gz VSFRAHQZYKBNOI-AWEZNQCLSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)c2c(C)noc2C)C1 ZINC001027537575 634038860 /nfs/dbraw/zinc/03/88/60/634038860.db2.gz LREZISZNHZKSGC-HNNXBMFYSA-N 0 3 317.433 2.125 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccccc2OC)C(C)(C)C1 ZINC000977546111 634040724 /nfs/dbraw/zinc/04/07/24/634040724.db2.gz BMXFFCQONFEJTD-INIZCTEOSA-N 0 3 302.418 2.250 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(COC)cc2)C(C)(C)C1 ZINC000977578858 634046871 /nfs/dbraw/zinc/04/68/71/634046871.db2.gz KWIKJLQGVWXZJG-QGZVFWFLSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2c(C)noc2C)CC1 ZINC000997913172 634049969 /nfs/dbraw/zinc/04/99/69/634049969.db2.gz HJNVPJRJFXFURS-HNNXBMFYSA-N 0 3 303.406 2.241 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cccn2C)CC1 ZINC000997920063 634055638 /nfs/dbraw/zinc/05/56/38/634055638.db2.gz FUWDAKKLFVSLEM-MRXNPFEDSA-N 0 3 301.434 2.365 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000997963283 634081190 /nfs/dbraw/zinc/08/11/90/634081190.db2.gz ZEUFMUDQFVSVGJ-INIZCTEOSA-N 0 3 312.417 2.226 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2csc(C3CC3)n2)C(C)(C)C1 ZINC000977667901 634093638 /nfs/dbraw/zinc/09/36/38/634093638.db2.gz PLKRVGWWEVDWPV-CQSZACIVSA-N 0 3 317.458 2.484 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2n[nH]cc2C)CC1 ZINC000998001945 634104851 /nfs/dbraw/zinc/10/48/51/634104851.db2.gz XJWUJEIOICHPHB-HNNXBMFYSA-N 0 3 302.422 2.058 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998040723 634118944 /nfs/dbraw/zinc/11/89/44/634118944.db2.gz ALWBDBQTLUCNPJ-SFHVURJKSA-N 0 3 318.465 2.351 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000998134625 634151179 /nfs/dbraw/zinc/15/11/79/634151179.db2.gz INOOXTXJZVPJOK-IXDOHACOSA-N 0 3 306.450 2.280 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnn(C(C)C)c2)CC1 ZINC000998171167 634159718 /nfs/dbraw/zinc/15/97/18/634159718.db2.gz AOFKXIXSWBVUJT-QGZVFWFLSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC000998173521 634160479 /nfs/dbraw/zinc/16/04/79/634160479.db2.gz LOSVUYXSDWYDGS-MRXNPFEDSA-N 0 3 313.445 2.453 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccn2CC)CC1 ZINC000998187169 634163555 /nfs/dbraw/zinc/16/35/55/634163555.db2.gz DKHMMHAWQXDWBS-MRXNPFEDSA-N 0 3 301.434 2.458 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccccn2)CC[C@@H]1C(F)(F)F ZINC000998242555 634184386 /nfs/dbraw/zinc/18/43/86/634184386.db2.gz YBHNXZIFMPPRKU-AAEUAGOBSA-N 0 3 313.323 2.250 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c(C)noc2C)C1 ZINC001027604009 634262641 /nfs/dbraw/zinc/26/26/41/634262641.db2.gz CCGAZPUQJWDPGU-CZUORRHYSA-N 0 3 317.433 2.026 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1 ZINC000978300218 634276858 /nfs/dbraw/zinc/27/68/58/634276858.db2.gz GARCXDBNVQQOTA-PHZGNYQRSA-N 0 3 323.396 2.067 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001027614990 634292254 /nfs/dbraw/zinc/29/22/54/634292254.db2.gz KGGYVKMRMVGPHN-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001027614990 634292255 /nfs/dbraw/zinc/29/22/55/634292255.db2.gz KGGYVKMRMVGPHN-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC001027615121 634293156 /nfs/dbraw/zinc/29/31/56/634293156.db2.gz NWPUPXMPYUAOGX-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 ZINC001027619990 634305929 /nfs/dbraw/zinc/30/59/29/634305929.db2.gz USJYDUXBTWCGAA-KRWDZBQOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001027882593 634855367 /nfs/dbraw/zinc/85/53/67/634855367.db2.gz SOJIQKQKSLCQRM-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C[C@H]1C[C@@H](CNCc2cc(F)ccc2C#N)CN1C(=O)C1CC1 ZINC000980266276 634921845 /nfs/dbraw/zinc/92/18/45/634921845.db2.gz JTOUIMSHYOKXOW-STQMWFEESA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001027962415 635093485 /nfs/dbraw/zinc/09/34/85/635093485.db2.gz UBOXKAFAOQBWOG-OAHLLOKOSA-N 0 3 311.385 2.354 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CC2)CC1 ZINC001000340386 635147517 /nfs/dbraw/zinc/14/75/17/635147517.db2.gz IGHNVJSKTJKDEO-XYJQFASLSA-N 0 3 312.457 2.273 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001027985608 635169100 /nfs/dbraw/zinc/16/91/00/635169100.db2.gz LOTGBFJXDHRIQZ-HNNXBMFYSA-N 0 3 304.438 2.408 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC001027989920 635177695 /nfs/dbraw/zinc/17/76/95/635177695.db2.gz DCWMDBVQKJASLG-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001027995944 635190162 /nfs/dbraw/zinc/19/01/62/635190162.db2.gz XKDFLQYZOUENMP-CYBMUJFWSA-N 0 3 302.422 2.059 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028019146 635261033 /nfs/dbraw/zinc/26/10/33/635261033.db2.gz OQOOUVDWRFURQU-NSHDSACASA-N 0 3 311.838 2.322 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2csc([C@H](C)OC)n2)CC1 ZINC001000707074 635282982 /nfs/dbraw/zinc/28/29/82/635282982.db2.gz AXNZLCKIYFJOBQ-LBPRGKRZSA-N 0 3 321.446 2.398 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001028030748 635307610 /nfs/dbraw/zinc/30/76/10/635307610.db2.gz IVXDYFOVXOPTBO-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nc3cccnc3s2)CC1 ZINC001000785632 635310890 /nfs/dbraw/zinc/31/08/90/635310890.db2.gz QGNZDQDPHDTKFD-UHFFFAOYSA-N 0 3 314.414 2.239 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3c(c2)ncn3C)CC1 ZINC001000865285 635321121 /nfs/dbraw/zinc/32/11/21/635321121.db2.gz AUDWOUBCSRCOND-UHFFFAOYSA-N 0 3 310.401 2.121 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3c(c2)CCOC3)CC1 ZINC001000939464 635360298 /nfs/dbraw/zinc/36/02/98/635360298.db2.gz PPFSHNFXTZNUOL-UHFFFAOYSA-N 0 3 312.413 2.307 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3ccncc3n2)CC1 ZINC001000960072 635371336 /nfs/dbraw/zinc/37/13/36/635371336.db2.gz ZVOUXQZOBFYMAG-UHFFFAOYSA-N 0 3 308.385 2.178 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CC23CC(OCC)C3)CC1 ZINC001001146156 635417445 /nfs/dbraw/zinc/41/74/45/635417445.db2.gz WTIUAOBYISENTF-PQUAAJSLSA-N 0 3 304.434 2.126 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3cnccc3n2)CC1 ZINC001001200229 635423918 /nfs/dbraw/zinc/42/39/18/635423918.db2.gz HMOHZADNGTXARE-UHFFFAOYSA-N 0 3 308.385 2.178 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H](NCc3cnns3)C2)C1 ZINC000981321911 635434636 /nfs/dbraw/zinc/43/46/36/635434636.db2.gz CPVJSPHUHDCOKQ-CHWSQXEVSA-N 0 3 320.462 2.411 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Cc3ccccc3CO2)CC1 ZINC001001417818 635493180 /nfs/dbraw/zinc/49/31/80/635493180.db2.gz IJCLQEIBALWXRE-SFHVURJKSA-N 0 3 312.413 2.062 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2nsc3ccccc32)CC1 ZINC001001443971 635506849 /nfs/dbraw/zinc/50/68/49/635506849.db2.gz PQECFKZBHNYJIE-UHFFFAOYSA-N 0 3 313.426 2.371 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2c(C)[nH]cc2NC(C)=O)CC1 ZINC000981509003 635509187 /nfs/dbraw/zinc/50/91/87/635509187.db2.gz JZRYADXEXBPSLO-UHFFFAOYSA-N 0 3 318.421 2.006 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(-c3ccccc3)no2)CC1 ZINC001001577024 635527946 /nfs/dbraw/zinc/52/79/46/635527946.db2.gz QNMCYMJZEGELER-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC001001569333 635528110 /nfs/dbraw/zinc/52/81/10/635528110.db2.gz JYEMOSQQIQCHRB-UHFFFAOYSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001001766472 635550950 /nfs/dbraw/zinc/55/09/50/635550950.db2.gz GNEKDROSMAAKSR-UONOGXRCSA-N 0 3 316.367 2.426 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001002161479 635630886 /nfs/dbraw/zinc/63/08/86/635630886.db2.gz BAXDFRKAFISGRK-ZWKOTPCHSA-N 0 3 314.404 2.391 20 30 DEEDHN Cc1ccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1C#N ZINC000921881819 635665681 /nfs/dbraw/zinc/66/56/81/635665681.db2.gz VOJHTRMVYMBWMO-AWEZNQCLSA-N 0 3 312.417 2.316 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3nc(C)sc3C)C2)C1 ZINC000981838834 635681305 /nfs/dbraw/zinc/68/13/05/635681305.db2.gz GWJQRNFQLRXKFT-UHFFFAOYSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnn(C(C)(C)C)c3)C2)C1 ZINC000981864954 635698961 /nfs/dbraw/zinc/69/89/61/635698961.db2.gz IUBMOUBFCDLMDL-UHFFFAOYSA-N 0 3 316.449 2.362 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cccn4nccc34)C2)C1 ZINC000981872260 635702395 /nfs/dbraw/zinc/70/23/95/635702395.db2.gz ONDJZOCFLUCREH-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc4ccc(C)cn34)C2)C1 ZINC000981886877 635716488 /nfs/dbraw/zinc/71/64/88/635716488.db2.gz FURMVUFJKNYTRJ-UHFFFAOYSA-N 0 3 324.428 2.367 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccn(CC)c3C)C[C@]2(C)C1 ZINC000982472119 635719682 /nfs/dbraw/zinc/71/96/82/635719682.db2.gz AWODOYTUCWZLKP-KDURUIRLSA-N 0 3 313.445 2.234 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001028169959 635768083 /nfs/dbraw/zinc/76/80/83/635768083.db2.gz HOMYSSFSCFZPIW-SFHVURJKSA-N 0 3 311.429 2.443 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001028171365 635768952 /nfs/dbraw/zinc/76/89/52/635768952.db2.gz FPLWRWRMRURSIA-LBPRGKRZSA-N 0 3 310.829 2.152 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@H](OC)C3)C2)C1 ZINC000981971522 635780599 /nfs/dbraw/zinc/78/05/99/635780599.db2.gz DMJCOCAHGSRQCI-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C4CC4)n[nH]3)C2)C1 ZINC000982034422 635833292 /nfs/dbraw/zinc/83/32/92/635833292.db2.gz XDLVYXAEHVNHBQ-UHFFFAOYSA-N 0 3 300.406 2.011 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c(C)noc3CC)C2)C1 ZINC000982144271 635887055 /nfs/dbraw/zinc/88/70/55/635887055.db2.gz GUIWLXTWNZPZIP-UHFFFAOYSA-N 0 3 303.406 2.269 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\CCNC(=O)C(C)C)c([O-])c1 ZINC000255730639 635913698 /nfs/dbraw/zinc/91/36/98/635913698.db2.gz PZJUTKQAVNBIKK-PDGQHHTCSA-N 0 3 305.422 2.430 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)SC)C[C@]2(C)C1 ZINC000982258582 635927180 /nfs/dbraw/zinc/92/71/80/635927180.db2.gz KKWVBCIYDQSXTG-BHYGNILZSA-N 0 3 308.491 2.322 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccnn3C(F)F)C[C@]2(C)C1 ZINC000982287806 635949428 /nfs/dbraw/zinc/94/94/28/635949428.db2.gz JOWAZDGQYIVOIO-IYBDPMFKSA-N 0 3 324.375 2.248 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001028253477 635963635 /nfs/dbraw/zinc/96/36/35/635963635.db2.gz ZJCXPUJWLVLPQC-MRXNPFEDSA-N 0 3 316.449 2.209 20 30 DEEDHN CC#CCN1CCC(NC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC001003932797 636087030 /nfs/dbraw/zinc/08/70/30/636087030.db2.gz MZMHAPDPHGFGLX-UHFFFAOYSA-N 0 3 302.422 2.059 20 30 DEEDHN Cn1cccc1C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001028415925 636184182 /nfs/dbraw/zinc/18/41/82/636184182.db2.gz PCCQRBKLYARUPM-QGZVFWFLSA-N 0 3 322.412 2.149 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cccc(OCC)c2)CC1 ZINC001004221782 636246748 /nfs/dbraw/zinc/24/67/48/636246748.db2.gz RPPOVBYFMHDMLI-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc3scnc32)C1 ZINC001028536913 636327744 /nfs/dbraw/zinc/32/77/44/636327744.db2.gz ZPSULYPAPRVETD-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001028536134 636328638 /nfs/dbraw/zinc/32/86/38/636328638.db2.gz MSNZJYSGIKEMKF-RRFJBIMHSA-N 0 3 302.443 2.231 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001028538128 636330697 /nfs/dbraw/zinc/33/06/97/636330697.db2.gz CTMHZQXOPQFJLI-CQSZACIVSA-N 0 3 303.406 2.181 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001028545424 636333727 /nfs/dbraw/zinc/33/37/27/636333727.db2.gz PYANZYSFMAOQFE-CYBMUJFWSA-N 0 3 311.360 2.059 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001028557800 636336143 /nfs/dbraw/zinc/33/61/43/636336143.db2.gz TYKDUWXNLXGRTC-CYBMUJFWSA-N 0 3 311.360 2.059 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001028558734 636337460 /nfs/dbraw/zinc/33/74/60/636337460.db2.gz TZLFHRVIBPJTGP-MRXNPFEDSA-N 0 3 314.429 2.387 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2sc(Cl)nc2C)C1 ZINC001028564557 636341381 /nfs/dbraw/zinc/34/13/81/636341381.db2.gz GUAFKBXYZFKGKM-NSHDSACASA-N 0 3 311.838 2.180 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@]2(C)C1 ZINC000982639828 636350232 /nfs/dbraw/zinc/35/02/32/636350232.db2.gz ATTBUTGAOMBKCL-OGWHTMIXSA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[C@@]3(C)C(C)C)C[C@]2(C)C1 ZINC000982689803 636370599 /nfs/dbraw/zinc/37/05/99/636370599.db2.gz ILBUCWQSVJXDRD-YSHGAJCASA-N 0 3 302.462 2.472 20 30 DEEDHN C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001004344872 636370741 /nfs/dbraw/zinc/37/07/41/636370741.db2.gz FWTVBAHGJZLHQV-KRWDZBQOSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001004344872 636370744 /nfs/dbraw/zinc/37/07/44/636370744.db2.gz FWTVBAHGJZLHQV-KRWDZBQOSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)CCc3ccccc3)C[C@]2(C)C1 ZINC000982756739 636387424 /nfs/dbraw/zinc/38/74/24/636387424.db2.gz HZKKANNICINERJ-BGYRXZFFSA-N 0 3 310.441 2.423 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ocnc2-c2ccccc2)C1 ZINC001028587072 636395138 /nfs/dbraw/zinc/39/51/38/636395138.db2.gz SLUMBTXJXUTJSA-HNNXBMFYSA-N 0 3 323.396 2.417 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H](c2cccnc2)C(C)C)CC1 ZINC000982796659 636449326 /nfs/dbraw/zinc/44/93/26/636449326.db2.gz VYHJNOOPBLSJLH-GOSISDBHSA-N 0 3 313.445 2.379 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3c[nH]nc3C)CC[C@@H]2C1 ZINC000946702636 636570382 /nfs/dbraw/zinc/57/03/82/636570382.db2.gz OCRPBUOFNCQKJM-OKILXGFUSA-N 0 3 322.840 2.255 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001028694577 636634626 /nfs/dbraw/zinc/63/46/26/636634626.db2.gz PYJKYVAYGSQBBV-KSSFIOAISA-N 0 3 314.404 2.317 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001028694478 636634782 /nfs/dbraw/zinc/63/47/82/636634782.db2.gz OCCDEYSSLUOFDF-NSHDSACASA-N 0 3 314.307 2.292 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001028707922 636653069 /nfs/dbraw/zinc/65/30/69/636653069.db2.gz ATKXZBZBCZKPAR-VBNZEHGJSA-N 0 3 318.367 2.140 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnn3ccc(C)cc23)CC1 ZINC001005533909 636762751 /nfs/dbraw/zinc/76/27/51/636762751.db2.gz SZGJHBYRRIGYGV-UHFFFAOYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2coc(C(F)(F)F)n2)CC1 ZINC001005663209 636809724 /nfs/dbraw/zinc/80/97/24/636809724.db2.gz VUMPTUKNNWFPEQ-UHFFFAOYSA-N 0 3 317.311 2.416 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cccc3oc(=O)[nH]c32)CC1 ZINC001005719634 636829623 /nfs/dbraw/zinc/82/96/23/636829623.db2.gz SMIJAAFQJOSOFV-UHFFFAOYSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2occ3c2CCOC3)CC1 ZINC001005779360 636836744 /nfs/dbraw/zinc/83/67/44/636836744.db2.gz AFAJUEBJLAYYDJ-UHFFFAOYSA-N 0 3 318.417 2.465 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001028907744 636839227 /nfs/dbraw/zinc/83/92/27/636839227.db2.gz YFXGPSJOVPPXID-ZDUSSCGKSA-N 0 3 311.360 2.059 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001028922365 636856591 /nfs/dbraw/zinc/85/65/91/636856591.db2.gz KABUVNGANVRIEE-OAHLLOKOSA-N 0 3 307.397 2.367 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccccc2OC(C)C)C1 ZINC001028941580 636876474 /nfs/dbraw/zinc/87/64/74/636876474.db2.gz YUXKZZKCPQCHHO-OAHLLOKOSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001028971113 636912267 /nfs/dbraw/zinc/91/22/67/636912267.db2.gz ZJXVBXJDZQNZEA-CYBMUJFWSA-N 0 3 320.820 2.424 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001029003861 636945561 /nfs/dbraw/zinc/94/55/61/636945561.db2.gz QMUFTBDIVINFGR-GFCCVEGCSA-N 0 3 305.447 2.126 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2csc(C3CC3)n2)C1 ZINC001029018054 636958620 /nfs/dbraw/zinc/95/86/20/636958620.db2.gz ZDJZHYWAWUSKCP-GFCCVEGCSA-N 0 3 303.431 2.096 20 30 DEEDHN C=C(Br)CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000837916295 650296656 /nfs/dbraw/zinc/29/66/56/650296656.db2.gz YCHXGMKGVKGIQE-JTQLQIEISA-N 0 3 316.243 2.021 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC000983578681 637030274 /nfs/dbraw/zinc/03/02/74/637030274.db2.gz IAKXTRVKNOYMKI-CZIWCDLHSA-N 0 3 322.412 2.493 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2nn(C)c3c2CCCC3)CC1 ZINC001006027498 637088464 /nfs/dbraw/zinc/08/84/64/637088464.db2.gz COGOFHFOSNCXBC-UHFFFAOYSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2ccccc2COC)CC1 ZINC001006122451 637225421 /nfs/dbraw/zinc/22/54/21/637225421.db2.gz GNFILTRZLUXEPC-UHFFFAOYSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2c(C)nn(CC)c2C)CC1 ZINC001006306481 637342882 /nfs/dbraw/zinc/34/28/82/637342882.db2.gz MDHFWLJPSVNCJB-UHFFFAOYSA-N 0 3 318.465 2.171 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccc(OC)cn1 ZINC000838786539 637659166 /nfs/dbraw/zinc/65/91/66/637659166.db2.gz HTBPNYACYURHFZ-OAHLLOKOSA-N 0 3 317.389 2.038 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc([Si](C)(C)C)cc1 ZINC000838787830 637660283 /nfs/dbraw/zinc/66/02/83/637660283.db2.gz KHYSJLSZYJGZNQ-HNNXBMFYSA-N 0 3 316.477 2.008 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1CCOC1 ZINC000740536469 637866865 /nfs/dbraw/zinc/86/68/65/637866865.db2.gz UJVJHUXSUGNDJC-QWHCGFSZSA-N 0 3 316.357 2.159 20 30 DEEDHN C#CCNC(=O)CN(CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000740887937 637914651 /nfs/dbraw/zinc/91/46/51/637914651.db2.gz IOZGWZDWQNVUIG-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN COC(=O)[C@H]1[C@H](CN(C)CCc2cccc(C#N)c2)C1(F)F ZINC000895451997 638031249 /nfs/dbraw/zinc/03/12/49/638031249.db2.gz OMWDGUCFDZQBTA-UONOGXRCSA-N 0 3 308.328 2.087 20 30 DEEDHN C[C@H](COc1ccccc1)NCc1cnc2c(C#N)cnn2c1 ZINC000742731318 638091106 /nfs/dbraw/zinc/09/11/06/638091106.db2.gz LIHTUKSCHHBYDP-CYBMUJFWSA-N 0 3 307.357 2.158 20 30 DEEDHN N#CCCn1cc(CN2C[C@H]3C[C@@]3(O)C2)c(-c2ccccc2)n1 ZINC000895651288 638126943 /nfs/dbraw/zinc/12/69/43/638126943.db2.gz ZGSFGSMTVFPGIG-SJLPKXTDSA-N 0 3 308.385 2.030 20 30 DEEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)o1 ZINC000744023972 638185590 /nfs/dbraw/zinc/18/55/90/638185590.db2.gz NNPOHYWMDKHSAW-KBPBESRZSA-N 0 3 320.389 2.332 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCC1(C#N)CCCCC1 ZINC000895830327 638223682 /nfs/dbraw/zinc/22/36/82/638223682.db2.gz YCVGDABMIQMWKQ-GJZGRUSLSA-N 0 3 304.438 2.339 20 30 DEEDHN C#CCN(CC#CC)C(=O)NCCCN1CCc2ccccc2C1 ZINC000745497383 638267733 /nfs/dbraw/zinc/26/77/33/638267733.db2.gz PQYDOLRRZRVPMG-UHFFFAOYSA-N 0 3 323.440 2.103 20 30 DEEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896095990 638358372 /nfs/dbraw/zinc/35/83/72/638358372.db2.gz SLKSHKLZYXVLTQ-CVEARBPZSA-N 0 3 323.481 2.219 20 30 DEEDHN Cc1conc1C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC000985010716 639033057 /nfs/dbraw/zinc/03/30/57/639033057.db2.gz VWFKRVRJPFDUEC-SAZUREKKSA-N 0 3 324.384 2.153 20 30 DEEDHN Cc1ncsc1CN(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000985338523 639291900 /nfs/dbraw/zinc/29/19/00/639291900.db2.gz JMNNZIDMALSNJX-NSHDSACASA-N 0 3 306.435 2.034 20 30 DEEDHN Cc1ncsc1CN(C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000985338522 639292199 /nfs/dbraw/zinc/29/21/99/639292199.db2.gz JMNNZIDMALSNJX-LLVKDONJSA-N 0 3 306.435 2.034 20 30 DEEDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000897344448 639522270 /nfs/dbraw/zinc/52/22/70/639522270.db2.gz CPLHDLZSLMMDNQ-CZUORRHYSA-N 0 3 315.417 2.372 20 30 DEEDHN CN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)c1cccc(C#N)c1 ZINC000841493091 650507420 /nfs/dbraw/zinc/50/74/20/650507420.db2.gz UUTSWCZCPATZHG-QGZVFWFLSA-N 0 3 324.380 2.495 20 30 DEEDHN COC(=O)c1ccc(N=NC2CN(C3CC3)C[C@@H]2C)c(OC)c1 ZINC000756902017 639712972 /nfs/dbraw/zinc/71/29/72/639712972.db2.gz ACOCJNWBKUABIN-NSHDSACASA-N 0 3 317.389 2.364 20 30 DEEDHN COC(=O)c1csc(CNCCNc2ccc(C#N)cn2)c1 ZINC000897397070 639953948 /nfs/dbraw/zinc/95/39/48/639953948.db2.gz ULTFJGIWJAHWBR-UHFFFAOYSA-N 0 3 316.386 2.003 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](NCc3ccccn3)[C@H]2C)cc1 ZINC000986639099 639963399 /nfs/dbraw/zinc/96/33/99/639963399.db2.gz ZAPBYWZJYNVXOS-DNVCBOLYSA-N 0 3 319.408 2.456 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)CN1C(=O)C(F)F ZINC000987695414 640259588 /nfs/dbraw/zinc/25/95/88/640259588.db2.gz NWCKFYOZHZSXPF-SKDRFNHKSA-N 0 3 311.307 2.041 20 30 DEEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cncnc1 ZINC000761094754 640269116 /nfs/dbraw/zinc/26/91/16/640269116.db2.gz UYEGUDMSWNJGKM-SNVBAGLBSA-N 0 3 318.695 2.230 20 30 DEEDHN CC[C@@H](C#N)OC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000753421585 640492409 /nfs/dbraw/zinc/49/24/09/640492409.db2.gz DOQCSURXUBDHJG-WDEREUQCSA-N 0 3 308.284 2.163 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccsc2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988500080 640507327 /nfs/dbraw/zinc/50/73/27/640507327.db2.gz JPXJGDBGBUTYJA-BXUZGUMPSA-N 0 3 314.414 2.341 20 30 DEEDHN COc1cccc(CNC[C@H](O)c2ccc(C#N)cc2)c1OC ZINC000763233731 640520696 /nfs/dbraw/zinc/52/06/96/640520696.db2.gz CJQTVLIAOZMPQB-INIZCTEOSA-N 0 3 312.369 2.399 20 30 DEEDHN N#CC(C(=O)COC/C=C\c1ccccc1)C(=O)N1CCCC1 ZINC000763469038 640545507 /nfs/dbraw/zinc/54/55/07/640545507.db2.gz JPBMNQIVKJJXBH-HWYHOQROSA-N 0 3 312.369 2.048 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccsc2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988645955 640563824 /nfs/dbraw/zinc/56/38/24/640563824.db2.gz NQOQSPXOWLOTMK-SMDDNHRTSA-N 0 3 314.414 2.341 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)C#CC1CC1 ZINC000988827965 640674401 /nfs/dbraw/zinc/67/44/01/640674401.db2.gz VTWQBDKRTDTVJI-OCCSQVGLSA-N 0 3 313.426 2.112 20 30 DEEDHN C[C@H]1C[C@@H](NCc2cc(F)cc(F)c2)CN1C(=O)C#CC1CC1 ZINC000988826275 640674574 /nfs/dbraw/zinc/67/45/74/640674574.db2.gz NWZUBYZIEKKDIL-YVEFUNNKSA-N 0 3 318.367 2.457 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3c2cccc3OC)C1 ZINC000988850592 640678436 /nfs/dbraw/zinc/67/84/36/640678436.db2.gz DIOXBKATBVJUSY-CHWSQXEVSA-N 0 3 312.369 2.267 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2cccc(C(C)C)c2)C1 ZINC000988873513 640680979 /nfs/dbraw/zinc/68/09/79/640680979.db2.gz AKWJFVFPUGZVDN-NVXWUHKLSA-N 0 3 314.429 2.401 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](NCc2cccnc2)C[C@@H]1C ZINC000988967137 640699039 /nfs/dbraw/zinc/69/90/39/640699039.db2.gz OCFDSKUZCVXBAS-RDJZCZTQSA-N 0 3 324.428 2.462 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000989034143 640707963 /nfs/dbraw/zinc/70/79/63/640707963.db2.gz BTMRXEOVGJYJNB-CJNGLKHVSA-N 0 3 309.369 2.167 20 30 DEEDHN COc1cccc(O)c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602174 640846213 /nfs/dbraw/zinc/84/62/13/640846213.db2.gz IALDCJFYPBIFFJ-UHFFFAOYSA-N 0 3 303.358 2.239 20 30 DEEDHN COC(=O)c1cc2n(n1)CCC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000897990171 640997687 /nfs/dbraw/zinc/99/76/87/640997687.db2.gz OGTSNBAAFCIDTF-RYUDHWBXSA-N 0 3 304.394 2.423 20 30 DEEDHN Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898149987 641037458 /nfs/dbraw/zinc/03/74/58/641037458.db2.gz LKMJTQKRDDSLLX-HNNXBMFYSA-N 0 3 323.400 2.039 20 30 DEEDHN Cc1nc([C@H](C)ON=Cc2ccc(N3CCOCC3)cc2)no1 ZINC000842017167 650628193 /nfs/dbraw/zinc/62/81/93/650628193.db2.gz JMNZJZFJJVDEOC-LBPRGKRZSA-N 0 3 316.361 2.326 20 30 DEEDHN Cc1cc(NC2CCC(Oc3ccc(C#N)cn3)CC2)nc(N)n1 ZINC000768527652 641092552 /nfs/dbraw/zinc/09/25/52/641092552.db2.gz NKCRVBLIFMBTOS-UHFFFAOYSA-N 0 3 324.388 2.436 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000989484958 641117251 /nfs/dbraw/zinc/11/72/51/641117251.db2.gz HEIFJYVDZCIPAZ-WCQYABFASA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(OCC)c2)C1 ZINC000989511865 641132728 /nfs/dbraw/zinc/13/27/28/641132728.db2.gz UTZQVFLSAPJQTE-GDBMZVCRSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC000989520200 641135966 /nfs/dbraw/zinc/13/59/66/641135966.db2.gz QOMZRGWHSLHAQW-ZBFHGGJFSA-N 0 3 309.413 2.231 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925322992 641156540 /nfs/dbraw/zinc/15/65/40/641156540.db2.gz YKOVREBJCJTBJF-PBHICJAKSA-N 0 3 317.433 2.485 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(F)cc2F)C1 ZINC000989628761 641175476 /nfs/dbraw/zinc/17/54/76/641175476.db2.gz KGBYVKBFPUAAQA-IUODEOHRSA-N 0 3 306.356 2.110 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000989715138 641206857 /nfs/dbraw/zinc/20/68/57/641206857.db2.gz OKRPEWFGOKULHK-VXGBXAGGSA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C3CCCC3)no2)C1 ZINC000989816801 641240539 /nfs/dbraw/zinc/24/05/39/641240539.db2.gz QOKDBAUQGWXSEX-TZMCWYRMSA-N 0 3 301.390 2.158 20 30 DEEDHN CC(F)(F)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989851694 641255537 /nfs/dbraw/zinc/25/55/37/641255537.db2.gz SZQKUAQNXGJFOQ-UHFFFAOYSA-N 0 3 307.344 2.294 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)c2ccccn2)CC1 ZINC000989852791 641256289 /nfs/dbraw/zinc/25/62/89/641256289.db2.gz NIRVTQXGIUONIP-UHFFFAOYSA-N 0 3 324.222 2.184 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)/C=C/C2CC2)CC1 ZINC000990612848 641551467 /nfs/dbraw/zinc/55/14/67/641551467.db2.gz WVBKVONDOZBLFL-SNAWJCMRSA-N 0 3 313.239 2.442 20 30 DEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cnn(C)c1 ZINC000842288437 650694974 /nfs/dbraw/zinc/69/49/74/650694974.db2.gz JLSDHSPWDVFKGC-WFASDCNBSA-N 0 3 316.405 2.071 20 30 DEEDHN Cc1csc(CCC(=O)C(C#N)C(=O)NC2CCCC2)n1 ZINC000774057003 641857515 /nfs/dbraw/zinc/85/75/15/641857515.db2.gz WTZGCWMLAXGZCC-GFCCVEGCSA-N 0 3 305.403 2.152 20 30 DEEDHN C#CCN(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101711 641935004 /nfs/dbraw/zinc/93/50/04/641935004.db2.gz KRWHEMCBEDMYJJ-KRWDZBQOSA-N 0 3 316.449 2.020 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCc1cnn(C)c1 ZINC000778158753 642346010 /nfs/dbraw/zinc/34/60/10/642346010.db2.gz NMNZCAMJGLFUBK-UHFFFAOYSA-N 0 3 303.793 2.418 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCCc1nc(C)n[nH]1 ZINC000778179222 642349171 /nfs/dbraw/zinc/34/91/71/642349171.db2.gz QUWSPFGOXAINCZ-UHFFFAOYSA-N 0 3 304.781 2.111 20 30 DEEDHN CC(=NNS(=O)(=O)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000779771708 642535826 /nfs/dbraw/zinc/53/58/26/642535826.db2.gz NQARHJWRGKDYIA-MRXNPFEDSA-N 0 3 323.462 2.212 20 30 DEEDHN N#Cc1ccc([C@@H](NCC[C@H]2CCC(F)(F)C2)C(N)=O)cc1 ZINC000901673520 642739817 /nfs/dbraw/zinc/73/98/17/642739817.db2.gz OKDDGKBRQQNHED-BXUZGUMPSA-N 0 3 307.344 2.500 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCSc1ccc(OC)cc1 ZINC000781447029 642753679 /nfs/dbraw/zinc/75/36/79/642753679.db2.gz BGRYJTBYOPUWSV-ZDUSSCGKSA-N 0 3 306.387 2.022 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000782060918 642819150 /nfs/dbraw/zinc/81/91/50/642819150.db2.gz HNXBGYPMYJJEME-IAGOWNOFSA-N 0 3 300.333 2.054 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)n(C(F)F)n3)CCC[C@H]12 ZINC000990936984 642874383 /nfs/dbraw/zinc/87/43/83/642874383.db2.gz QSJWWYCDRYWLJM-BBRMVZONSA-N 0 3 324.375 2.499 20 30 DEEDHN C=CCc1cc(OC)cc(CN(CCOC)[C@H]2CCOC2)c1O ZINC000782954301 642945610 /nfs/dbraw/zinc/94/56/10/642945610.db2.gz MPSAWXPYZGFRLB-INIZCTEOSA-N 0 3 321.417 2.367 20 30 DEEDHN N#CC(C(=O)[C@@H]1CCc2ncncc2C1)c1nc2ccccc2[nH]1 ZINC000842676807 650802315 /nfs/dbraw/zinc/80/23/15/650802315.db2.gz MPJQYAMKYMYCCL-DGCLKSJQSA-N 0 3 317.352 2.334 20 30 DEEDHN N#CCCn1cc(CN2C[C@@H]3C[C@]3(CO)C2)c(-c2ccccc2)n1 ZINC000783733719 643044866 /nfs/dbraw/zinc/04/48/66/643044866.db2.gz IYKPUQMNWDRQFU-PKOBYXMFSA-N 0 3 322.412 2.278 20 30 DEEDHN C[C@@H](NCCc1nnc2n1CCCCC2)c1cc(C#N)ccn1 ZINC000902736671 643126912 /nfs/dbraw/zinc/12/69/12/643126912.db2.gz WHHZQYLIZRWZTN-CYBMUJFWSA-N 0 3 310.405 2.164 20 30 DEEDHN C[C@H](NCC(C)(C)C1(O)CCOCC1)c1cc(C#N)ccn1 ZINC000903023147 643228882 /nfs/dbraw/zinc/22/88/82/643228882.db2.gz NRJKQEYBJPIXHN-ZDUSSCGKSA-N 0 3 303.406 2.172 20 30 DEEDHN CC[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(C#N)cc1 ZINC000903398502 643344197 /nfs/dbraw/zinc/34/41/97/643344197.db2.gz SJDHMKICNKWCCW-JKSUJKDBSA-N 0 3 323.400 2.373 20 30 DEEDHN N#CC(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)c1nc2ccccc2[nH]1 ZINC000786927787 643430042 /nfs/dbraw/zinc/43/00/42/643430042.db2.gz XYPYQYWAYZAXOP-IJLUTSLNSA-N 0 3 310.357 2.031 20 30 DEEDHN CCOC(=O)C(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000805853146 643545346 /nfs/dbraw/zinc/54/53/46/643545346.db2.gz GUANABYJNNEOFK-CYBMUJFWSA-N 0 3 316.357 2.313 20 30 DEEDHN CC1/C(=C/c2ccc3c(c2)CCC(=O)N3C)C(=O)c2ncnn21 ZINC000905085905 643779922 /nfs/dbraw/zinc/77/99/22/643779922.db2.gz QDMOFHHYJFKZMH-AAIQCTMTSA-N 0 3 308.341 2.028 20 30 DEEDHN CC1/C(=C/c2ccc(C(=O)N3CCCC3)cc2)C(=O)c2ncnn21 ZINC000905084670 643779943 /nfs/dbraw/zinc/77/99/43/643779943.db2.gz KFRPBZNUYNVIFI-DYTQJMLRSA-N 0 3 322.368 2.355 20 30 DEEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CCC2(CCOCC2)CO1 ZINC000905827089 644059653 /nfs/dbraw/zinc/05/96/53/644059653.db2.gz FOPUDHDHXXWORN-HOTGVXAUSA-N 0 3 305.422 2.385 20 30 DEEDHN Cc1nc(CNC[C@@H](O)c2ccc(C#N)cc2)ccc1[C@@H](C)O ZINC000843106457 650895578 /nfs/dbraw/zinc/89/55/78/650895578.db2.gz LJGLJRREKDCZDH-FZKQIMNGSA-N 0 3 311.385 2.138 20 30 DEEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCO[C@H](C)C#N)cc1 ZINC000792947644 644172059 /nfs/dbraw/zinc/17/20/59/644172059.db2.gz HHQKZPWQVAGNHZ-OLZOCXBDSA-N 0 3 310.419 2.059 20 30 DEEDHN COC(=O)CCN1CCC(N=Nc2cccc(Cl)n2)CC1 ZINC000793161867 644199418 /nfs/dbraw/zinc/19/94/18/644199418.db2.gz MAPMLOKGJDUHOX-UHFFFAOYSA-N 0 3 310.785 2.162 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000906975782 644404322 /nfs/dbraw/zinc/40/43/22/644404322.db2.gz BJRSPTPNJHWQAL-ZBFHGGJFSA-N 0 3 320.458 2.161 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796491523 644744811 /nfs/dbraw/zinc/74/48/11/644744811.db2.gz HVMPSOKRTQZHJJ-CHWSQXEVSA-N 0 3 322.430 2.033 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cnc2ccccc2c1 ZINC000796632005 644767528 /nfs/dbraw/zinc/76/75/28/644767528.db2.gz VPKTZPCAQMYHNV-OAHLLOKOSA-N 0 3 309.369 2.401 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(COC)c3)CCC[C@@H]12 ZINC000991101066 644768071 /nfs/dbraw/zinc/76/80/71/644768071.db2.gz RZTZMBAGZMDWFM-AEFFLSMTSA-N 0 3 315.417 2.141 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3cnccc3C)CCC[C@@H]12 ZINC000991116133 644771845 /nfs/dbraw/zinc/77/18/45/644771845.db2.gz ITRNIZWWCTWZOE-IEBWSBKVSA-N 0 3 311.429 2.069 20 30 DEEDHN C#CCSCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000908230991 644789542 /nfs/dbraw/zinc/78/95/42/644789542.db2.gz UVSMZTVNAQREPN-HOCLYGCPSA-N 0 3 302.443 2.132 20 30 DEEDHN C=CCCC(=O)[C@@H]1CCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000908662154 644950068 /nfs/dbraw/zinc/95/00/68/644950068.db2.gz ZIYUGFYDTWGXLY-INIZCTEOSA-N 0 3 304.434 2.387 20 30 DEEDHN C#Cc1ccc(CN2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843433194 650974243 /nfs/dbraw/zinc/97/42/43/650974243.db2.gz WUDDKKNJJRBFKH-HNNXBMFYSA-N 0 3 310.319 2.168 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000798938008 645101910 /nfs/dbraw/zinc/10/19/10/645101910.db2.gz XZDBIRNRBUVWNY-CABCVRRESA-N 0 3 300.402 2.360 20 30 DEEDHN CON=Cc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000843477776 650981891 /nfs/dbraw/zinc/98/18/91/650981891.db2.gz SFBAKWVFNGDKRK-GOSISDBHSA-N 0 3 323.396 2.284 20 30 DEEDHN CCN1CCCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@H](C)C1 ZINC000910294199 645407176 /nfs/dbraw/zinc/40/71/76/645407176.db2.gz DWQVYLABDUPIAF-CABCVRRESA-N 0 3 315.417 2.268 20 30 DEEDHN CCN1CCCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000910294200 645407532 /nfs/dbraw/zinc/40/75/32/645407532.db2.gz DWQVYLABDUPIAF-GJZGRUSLSA-N 0 3 315.417 2.268 20 30 DEEDHN CCN(CCO[C@H](C)C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000801917453 645461860 /nfs/dbraw/zinc/46/18/60/645461860.db2.gz DDPPQVGZMAWQTL-CQSZACIVSA-N 0 3 303.406 2.139 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000801937916 645465355 /nfs/dbraw/zinc/46/53/55/645465355.db2.gz XWQBLKGVLOLSGJ-KBPBESRZSA-N 0 3 301.390 2.393 20 30 DEEDHN C[C@@H](C#N)OCCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000801940162 645466093 /nfs/dbraw/zinc/46/60/93/645466093.db2.gz YPTRWEREVOXVHC-GXFFZTMASA-N 0 3 302.296 2.257 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000911199809 645650874 /nfs/dbraw/zinc/65/08/74/645650874.db2.gz GTEMBGVITORJFK-SNGWPZLWSA-N 0 3 300.402 2.287 20 30 DEEDHN C=CCNC(=O)c1ccccc1NC(=O)[C@H](N)C[C@H](C)CC ZINC000912035828 645913295 /nfs/dbraw/zinc/91/32/95/645913295.db2.gz CEMPKHHBWRNIRT-TZMCWYRMSA-N 0 3 303.406 2.304 20 30 DEEDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000912078143 645939748 /nfs/dbraw/zinc/93/97/48/645939748.db2.gz QXOOENSOZFPBKT-BBRMVZONSA-N 0 3 300.406 2.403 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000912137783 645960225 /nfs/dbraw/zinc/96/02/25/645960225.db2.gz BAJQKYUOZRQCJB-MRXNPFEDSA-N 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318.373 2.089 20 30 DEEDHN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193403973 685040318 /nfs/dbraw/zinc/04/03/18/685040318.db2.gz XBKDWVBAOCBTFT-YNEHKIRRSA-N 0 3 306.749 2.412 20 30 DEEDHN C[C@H]1CN(C(=O)C2CCC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054314427 693925198 /nfs/dbraw/zinc/92/51/98/693925198.db2.gz UIFALJFOMSHHRD-SJCJKPOMSA-N 0 3 315.392 2.434 20 30 DEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000929257268 693925688 /nfs/dbraw/zinc/92/56/88/693925688.db2.gz NZVRUZGXWNTBRU-FZMZJTMJSA-N 0 3 304.781 2.379 20 30 DEEDHN C[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1NCc1ccc(C#N)s1 ZINC001054322672 693930405 /nfs/dbraw/zinc/93/04/05/693930405.db2.gz UVAXSDKMYBVMGB-JOYOIKCWSA-N 0 3 313.373 2.211 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000860012063 685870872 /nfs/dbraw/zinc/87/08/72/685870872.db2.gz OYXVTEUTHJPOQF-SUMWQHHRSA-N 0 3 311.429 2.435 20 30 DEEDHN CCCCCCCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000861655364 686165796 /nfs/dbraw/zinc/16/57/96/686165796.db2.gz KMDQYWXTBIQBCE-OAHLLOKOSA-N 0 3 322.457 2.054 20 30 DEEDHN C#CCCOc1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862427914 686300254 /nfs/dbraw/zinc/30/02/54/686300254.db2.gz HQWDKKQOZPEZQO-INIZCTEOSA-N 0 3 300.402 2.141 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862428600 686300877 /nfs/dbraw/zinc/30/08/77/686300877.db2.gz RWANVUQJURCVNM-ZFWWWQNUSA-N 0 3 301.390 2.030 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1ccccc1F ZINC001054636599 694012019 /nfs/dbraw/zinc/01/20/19/694012019.db2.gz KTYWCWFDDLWLOP-DYVFJYSZSA-N 0 3 300.377 2.176 20 30 DEEDHN O=c1ccn(N=C2CCN(C3CC3)[C@@H](c3ccccc3)C2)c(=O)[nH]1 ZINC000863182484 686441747 /nfs/dbraw/zinc/44/17/47/686441747.db2.gz NJFPECNWWHAOGC-MRXNPFEDSA-N 0 3 324.384 2.153 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CC[N@@H+]2C2CCCC2)c1[O-] ZINC000864345799 686692546 /nfs/dbraw/zinc/69/25/46/686692546.db2.gz GKZSGNVUOXZYEW-PACYTGELSA-N 0 3 303.406 2.024 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@@H]2CC[N@H+]2C2CCCC2)c1[O-] ZINC000864345799 686692550 /nfs/dbraw/zinc/69/25/50/686692550.db2.gz GKZSGNVUOXZYEW-PACYTGELSA-N 0 3 303.406 2.024 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H]2CC[N@@H+]2C2CCCC2)c1[O-] ZINC000864345798 686693030 /nfs/dbraw/zinc/69/30/30/686693030.db2.gz GKZSGNVUOXZYEW-BFERYNQYSA-N 0 3 303.406 2.024 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H]2CC[N@H+]2C2CCCC2)c1[O-] ZINC000864345798 686693032 /nfs/dbraw/zinc/69/30/32/686693032.db2.gz GKZSGNVUOXZYEW-BFERYNQYSA-N 0 3 303.406 2.024 20 30 DEEDHN CCc1nc(CN2CCN(CC3CCC(C#N)CC3)CC2)no1 ZINC000929996329 694067461 /nfs/dbraw/zinc/06/74/61/694067461.db2.gz JHYHSEKJYNILOL-UHFFFAOYSA-N 0 3 317.437 2.080 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(OC)nc2)C1 ZINC001054976917 694088002 /nfs/dbraw/zinc/08/80/02/694088002.db2.gz QUXABBSJTXZUJN-UKRRQHHQSA-N 0 3 317.433 2.239 20 30 DEEDHN N#Cc1cc(C(F)(F)F)cc(N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000865561661 687260099 /nfs/dbraw/zinc/26/00/99/687260099.db2.gz PCLJLEIJDRTUSO-CYBMUJFWSA-N 0 3 308.307 2.423 20 30 DEEDHN Cc1c(Cl)cnc(N[C@H]2CCN(CC(C)(C)O)C2)c1C#N ZINC000865998744 687404077 /nfs/dbraw/zinc/40/40/77/687404077.db2.gz TUKUIVBOHODOBL-NSHDSACASA-N 0 3 308.813 2.172 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001015758385 687411502 /nfs/dbraw/zinc/41/15/02/687411502.db2.gz PKOHVYOFPGWGDH-LBPRGKRZSA-N 0 3 312.335 2.413 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001015785848 687421222 /nfs/dbraw/zinc/42/12/22/687421222.db2.gz DPNXTFMVMISNKC-OAHLLOKOSA-N 0 3 311.360 2.201 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001015801337 687426871 /nfs/dbraw/zinc/42/68/71/687426871.db2.gz OGOLLYUGBRTTRS-ZDUSSCGKSA-N 0 3 303.406 2.291 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001015965058 687482825 /nfs/dbraw/zinc/48/28/25/687482825.db2.gz YHXLREHJDZVTFB-OAHLLOKOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001015974317 687487935 /nfs/dbraw/zinc/48/79/35/687487935.db2.gz DPZZOJIMKNDHSI-MRXNPFEDSA-N 0 3 318.465 2.390 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)CN1C1CC1 ZINC000866457691 687579474 /nfs/dbraw/zinc/57/94/74/687579474.db2.gz SSDJNXMVTQYAEN-BXUZGUMPSA-N 0 3 308.385 2.395 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001016389101 687610131 /nfs/dbraw/zinc/61/01/31/687610131.db2.gz UMPMBSWFFLAMOZ-AWEZNQCLSA-N 0 3 319.380 2.164 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001016409382 687614349 /nfs/dbraw/zinc/61/43/49/687614349.db2.gz VSNSFMWHNDYMKG-QGZVFWFLSA-N 0 3 313.445 2.360 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016440957 687622670 /nfs/dbraw/zinc/62/26/70/687622670.db2.gz OPLXRZIYNMVMDX-AZUAARDMSA-N 0 3 310.441 2.395 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001016632114 687669497 /nfs/dbraw/zinc/66/94/97/687669497.db2.gz MKDDFQRPFGBVSB-RCCFBDPRSA-N 0 3 323.440 2.179 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001016664894 687677839 /nfs/dbraw/zinc/67/78/39/687677839.db2.gz ZIJXDKHJOLOZGK-KRWDZBQOSA-N 0 3 311.429 2.423 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001016723700 687690612 /nfs/dbraw/zinc/69/06/12/687690612.db2.gz IGKZIYHVUYYNJB-HOTGVXAUSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc3ncccc3o2)CC1 ZINC001016736852 687692816 /nfs/dbraw/zinc/69/28/16/687692816.db2.gz SRBLCNZNCMANQQ-KRWDZBQOSA-N 0 3 323.396 2.435 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001016737550 687692993 /nfs/dbraw/zinc/69/29/93/687692993.db2.gz WYURFEBULJEOTM-HZPDHXFCSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2nc(Cl)cs2)CC1 ZINC001016792681 687703820 /nfs/dbraw/zinc/70/38/20/687703820.db2.gz VSWORZNNNABVNJ-JTQLQIEISA-N 0 3 309.822 2.014 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C(F)F)o2)CC1 ZINC001016950046 687741368 /nfs/dbraw/zinc/74/13/68/687741368.db2.gz IXYFOHGKXXJKQT-ZDUSSCGKSA-N 0 3 308.328 2.435 20 30 DEEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCN(C(C)=O)C1 ZINC001017004071 687755757 /nfs/dbraw/zinc/75/57/57/687755757.db2.gz CNYNSDGBPQVEGK-INIZCTEOSA-N 0 3 315.417 2.257 20 30 DEEDHN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC(C)C)[nH]1 ZINC001017551936 687910793 /nfs/dbraw/zinc/91/07/93/687910793.db2.gz LGXXNFBLZBJKNO-GASCZTMLSA-N 0 3 316.449 2.473 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C(C)C ZINC001017606194 687922158 /nfs/dbraw/zinc/92/21/58/687922158.db2.gz NIMUALHXNVTKKQ-VVLHAWIVSA-N 0 3 306.450 2.299 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000868283645 687968889 /nfs/dbraw/zinc/96/88/89/687968889.db2.gz CIDJPXPEAQVBST-UONOGXRCSA-N 0 3 309.479 2.031 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1ccnc1 ZINC001018006905 688025761 /nfs/dbraw/zinc/02/57/61/688025761.db2.gz GNSLXPHBOYJRKM-OAGGEKHMSA-N 0 3 302.422 2.086 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCOC1 ZINC001018111271 688055834 /nfs/dbraw/zinc/05/58/34/688055834.db2.gz BGAKYQCFSMAJKO-JZXOWHBKSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc2ccccc2n1 ZINC001018187236 688074510 /nfs/dbraw/zinc/07/45/10/688074510.db2.gz LVSFLEZIHOQLCA-CALCHBBNSA-N 0 3 324.428 2.288 20 30 DEEDHN CC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018529552 688166974 /nfs/dbraw/zinc/16/69/74/688166974.db2.gz FZIUTPSLWVRERG-WFASDCNBSA-N 0 3 303.381 2.434 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)s1 ZINC001018680545 688205323 /nfs/dbraw/zinc/20/53/23/688205323.db2.gz BLMQVGLMLOVPMY-DANNLKNASA-N 0 3 315.442 2.356 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H](NCc2ncccc2C)C1 ZINC001018972801 688264416 /nfs/dbraw/zinc/26/44/16/688264416.db2.gz PSCFYAWBVBMXIN-INIZCTEOSA-N 0 3 324.428 2.382 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cc(C)ns3)C2)C1 ZINC001019352495 688337534 /nfs/dbraw/zinc/33/75/34/688337534.db2.gz UNWAFKLDKDHWKS-ZDUSSCGKSA-N 0 3 305.447 2.498 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001020079878 688460144 /nfs/dbraw/zinc/46/01/44/688460144.db2.gz JQQAFOCNIYDIME-RBSFLKMASA-N 0 3 315.392 2.480 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC000870134988 688494320 /nfs/dbraw/zinc/49/43/20/688494320.db2.gz QRMCNJMWSGIJEY-LSDHHAIUSA-N 0 3 314.385 2.395 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000870134985 688494679 /nfs/dbraw/zinc/49/46/79/688494679.db2.gz QRMCNJMWSGIJEY-CABCVRRESA-N 0 3 314.385 2.395 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000870144908 688497976 /nfs/dbraw/zinc/49/79/76/688497976.db2.gz IFYMJZFNGMEZAZ-SMDDNHRTSA-N 0 3 318.348 2.268 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001020378881 688511376 /nfs/dbraw/zinc/51/13/76/688511376.db2.gz JWGIEQLGBHPJMF-MGCOHNPYSA-N 0 3 322.821 2.294 20 30 DEEDHN N#CCCN(C(=O)CN[C@]12CCC[C@H]1OCC2)c1ccccc1 ZINC000872311351 688979999 /nfs/dbraw/zinc/97/99/99/688979999.db2.gz JGPBJCBGNATYEZ-AEFFLSMTSA-N 0 3 313.401 2.234 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001031799468 688999986 /nfs/dbraw/zinc/99/99/86/688999986.db2.gz GMRANPPQRDCCCY-AWEZNQCLSA-N 0 3 316.449 2.400 20 30 DEEDHN C=C1CCC(C(=O)NCC2CN(C[C@@H]3CC[C@H](C)O3)C2)CC1 ZINC001031951544 689028014 /nfs/dbraw/zinc/02/80/14/689028014.db2.gz LWGBLLLDCBNOJB-YOEHRIQHSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001032021625 689043480 /nfs/dbraw/zinc/04/34/80/689043480.db2.gz DBAFMKDOSYSYQU-UHFFFAOYSA-N 0 3 300.402 2.079 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(C)nc2ccccc21 ZINC001032397863 689140225 /nfs/dbraw/zinc/14/02/25/689140225.db2.gz QMXKGPGMHMTPHY-HOTGVXAUSA-N 0 3 324.428 2.206 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccn2)CC1 ZINC001032403884 689142178 /nfs/dbraw/zinc/14/21/78/689142178.db2.gz KBSBAJKZGXOLOU-HOTGVXAUSA-N 0 3 311.429 2.365 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1ccnc1CC ZINC001032413609 689143643 /nfs/dbraw/zinc/14/36/43/689143643.db2.gz MACHNARJHQDHOR-PMPSAXMXSA-N 0 3 316.449 2.258 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc[nH]c2c1 ZINC001032468501 689159114 /nfs/dbraw/zinc/15/91/14/689159114.db2.gz WITCESONYOVFOZ-GJZGRUSLSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)n[nH]1 ZINC001032554437 689184548 /nfs/dbraw/zinc/18/45/48/689184548.db2.gz WOEIBJYAIFGHHR-GJZGRUSLSA-N 0 3 302.422 2.227 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n[nH]1 ZINC001032642861 689209844 /nfs/dbraw/zinc/20/98/44/689209844.db2.gz GYINHHIDRULQIG-KBPBESRZSA-N 0 3 300.406 2.152 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1CC ZINC001032644864 689211015 /nfs/dbraw/zinc/21/10/15/689211015.db2.gz ZDLSDMUEJSGEFR-GJZGRUSLSA-N 0 3 302.422 2.076 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c(C)noc1C ZINC001032668479 689218434 /nfs/dbraw/zinc/21/84/34/689218434.db2.gz CILOPYKPHYCUSU-KCXAZCMYSA-N 0 3 317.433 2.331 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC(C)C)c1 ZINC001032701876 689230574 /nfs/dbraw/zinc/23/05/74/689230574.db2.gz HDBNHLRVLNNCNR-IRXDYDNUSA-N 0 3 316.449 2.404 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)noc1C ZINC001032775074 689256110 /nfs/dbraw/zinc/25/61/10/689256110.db2.gz ZOIPTOSTVBEWOC-GJZGRUSLSA-N 0 3 303.406 2.085 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033118303 689395196 /nfs/dbraw/zinc/39/51/96/689395196.db2.gz BAKZYKYYWRXQHP-CABCVRRESA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033118306 689395229 /nfs/dbraw/zinc/39/52/29/689395229.db2.gz BAKZYKYYWRXQHP-HUUCEWRRSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccnn2C2CCCC2)C1 ZINC001033123269 689396793 /nfs/dbraw/zinc/39/67/93/689396793.db2.gz XBCXKLTXEKEJIJ-INIZCTEOSA-N 0 3 314.433 2.168 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)c2cccnc2)C1 ZINC001033202295 689423748 /nfs/dbraw/zinc/42/37/48/689423748.db2.gz DXOBEIODZIWQTC-INIZCTEOSA-N 0 3 301.434 2.468 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(C)nc2C2CCC2)C1 ZINC001033201662 689423860 /nfs/dbraw/zinc/42/38/60/689423860.db2.gz BPSFRWUDUCCMOU-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C(C)C)nn2CC)C1 ZINC001033226937 689430724 /nfs/dbraw/zinc/43/07/24/689430724.db2.gz YOHKBQWNFVVLNR-OAHLLOKOSA-N 0 3 316.449 2.196 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001033269599 689445450 /nfs/dbraw/zinc/44/54/50/689445450.db2.gz JYJBONVADUGKNR-OAHLLOKOSA-N 0 3 303.406 2.072 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001033309600 689456512 /nfs/dbraw/zinc/45/65/12/689456512.db2.gz XNXZIZPXLQYZGF-SNVBAGLBSA-N 0 3 314.216 2.491 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033315125 689458581 /nfs/dbraw/zinc/45/85/81/689458581.db2.gz JZNSZULFSQILOJ-GOSISDBHSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033363904 689477101 /nfs/dbraw/zinc/47/71/01/689477101.db2.gz XCMFVXAYOYMSPO-NVXWUHKLSA-N 0 3 300.377 2.021 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cc(F)ccc2F)C1 ZINC001033371456 689480542 /nfs/dbraw/zinc/48/05/42/689480542.db2.gz YUAJFHDAYHOAIM-OAHLLOKOSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001033386669 689483945 /nfs/dbraw/zinc/48/39/45/689483945.db2.gz CHPVZISLDRXTLM-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(OC)c2C)C1 ZINC001033454708 689506078 /nfs/dbraw/zinc/50/60/78/689506078.db2.gz GAONEZVUTGQKHC-OAHLLOKOSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2-n2cccn2)C1 ZINC001033460736 689508167 /nfs/dbraw/zinc/50/81/67/689508167.db2.gz STXQRDVEKNDLIR-MRXNPFEDSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001033509058 689525004 /nfs/dbraw/zinc/52/50/04/689525004.db2.gz GUXWDHPQMURHBZ-SJLPKXTDSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cc(F)ccc2OC)C1 ZINC001033519387 689528796 /nfs/dbraw/zinc/52/87/96/689528796.db2.gz LQXNSKZASHPLDC-HNNXBMFYSA-N 0 3 306.381 2.096 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001033532349 689534097 /nfs/dbraw/zinc/53/40/97/689534097.db2.gz CKXHCAKGZBQCFF-HNNXBMFYSA-N 0 3 313.873 2.004 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001033566808 689545800 /nfs/dbraw/zinc/54/58/00/689545800.db2.gz SQQXQJWCKSFCMU-AWEZNQCLSA-N 0 3 302.422 2.011 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001033566808 689545802 /nfs/dbraw/zinc/54/58/02/689545802.db2.gz SQQXQJWCKSFCMU-AWEZNQCLSA-N 0 3 302.422 2.011 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cn(CCCC)nc2C)C1 ZINC001033571356 689547342 /nfs/dbraw/zinc/54/73/42/689547342.db2.gz PXYGVYBMNGEDMN-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001033586188 689553062 /nfs/dbraw/zinc/55/30/62/689553062.db2.gz SCFXEVOFNDBZBD-GFCCVEGCSA-N 0 3 316.361 2.052 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2OCC)C1 ZINC001033632262 689566301 /nfs/dbraw/zinc/56/63/01/689566301.db2.gz WKTQJOAXQYQYGN-OAHLLOKOSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033658715 689575475 /nfs/dbraw/zinc/57/54/75/689575475.db2.gz SVQMNJPLFGIMKJ-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001033690012 689585774 /nfs/dbraw/zinc/58/57/74/689585774.db2.gz OFNCLXSZESKQES-LRVUVFPRSA-N 0 3 314.351 2.275 20 30 DEEDHN CCOC(=O)/C=C\CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000931017294 694295826 /nfs/dbraw/zinc/29/58/26/694295826.db2.gz ABEZZCCAYUEZDU-DAXSKMNVSA-N 0 3 314.385 2.273 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c[nH]c(CC(C)C)n2)C1 ZINC001033831219 689630402 /nfs/dbraw/zinc/63/04/02/689630402.db2.gz AMRBTSOAGMTMPW-HNNXBMFYSA-N 0 3 316.449 2.168 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC000875622249 689660799 /nfs/dbraw/zinc/66/07/99/689660799.db2.gz GVAJQJSHVNREDQ-KRWDZBQOSA-N 0 3 321.465 2.075 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033976230 689680228 /nfs/dbraw/zinc/68/02/28/689680228.db2.gz KIFZJADLCPRSSA-SFHVURJKSA-N 0 3 309.413 2.499 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nc(CC)oc2C)C1 ZINC001033982669 689684160 /nfs/dbraw/zinc/68/41/60/689684160.db2.gz GCFUBCOQKSYLMH-AWEZNQCLSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(COC)cc2)C1 ZINC001034038899 689701904 /nfs/dbraw/zinc/70/19/04/689701904.db2.gz XTYFRUMPZAMUNN-SFHVURJKSA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001034202243 689760644 /nfs/dbraw/zinc/76/06/44/689760644.db2.gz RSYQSHHCSQDTPC-HNNXBMFYSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001034220286 689768634 /nfs/dbraw/zinc/76/86/34/689768634.db2.gz XDUWBCPJESYGMX-AWEZNQCLSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001034224502 689770344 /nfs/dbraw/zinc/77/03/44/689770344.db2.gz YMEPURFNQKMTMS-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001034228283 689771818 /nfs/dbraw/zinc/77/18/18/689771818.db2.gz APAGJNPYZHRUDL-CYBMUJFWSA-N 0 3 324.375 2.194 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001034284185 689794741 /nfs/dbraw/zinc/79/47/41/689794741.db2.gz YVFATBKZCLFXTP-JKSUJKDBSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034295103 689798933 /nfs/dbraw/zinc/79/89/33/689798933.db2.gz DHCOLSPOCDHDAY-HNNXBMFYSA-N 0 3 311.385 2.435 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001034301005 689801581 /nfs/dbraw/zinc/80/15/81/689801581.db2.gz QABMBOMPROCJKM-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001034326460 689809290 /nfs/dbraw/zinc/80/92/90/689809290.db2.gz PMZGKWFVRXUILA-OAHLLOKOSA-N 0 3 300.402 2.376 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001034325023 689809653 /nfs/dbraw/zinc/80/96/53/689809653.db2.gz FHLZJWMZUXMROE-AWEZNQCLSA-N 0 3 310.401 2.400 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001034394564 689832974 /nfs/dbraw/zinc/83/29/74/689832974.db2.gz OYBBKAWSILZFOC-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001034417169 689842198 /nfs/dbraw/zinc/84/21/98/689842198.db2.gz DXLBPLRCCVQDFQ-AWEZNQCLSA-N 0 3 302.422 2.141 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3nccnc32)C1 ZINC001034464499 689860183 /nfs/dbraw/zinc/86/01/83/689860183.db2.gz YUYAKIJLDOZILO-AWEZNQCLSA-N 0 3 310.401 2.400 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001034468246 689861434 /nfs/dbraw/zinc/86/14/34/689861434.db2.gz PLDSGJDLHOALFY-QGZVFWFLSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000876576813 689863417 /nfs/dbraw/zinc/86/34/17/689863417.db2.gz QJKLLWONGAWXKY-CYBMUJFWSA-N 0 3 309.772 2.436 20 30 DEEDHN CC(C)(C)N1CCCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000931125017 694321872 /nfs/dbraw/zinc/32/18/72/694321872.db2.gz XJZZBTODIZIPSZ-UHFFFAOYSA-N 0 3 309.479 2.356 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1OCCOC ZINC000876595848 689870893 /nfs/dbraw/zinc/87/08/93/689870893.db2.gz MIKBLDHHYNCQEI-LBPRGKRZSA-N 0 3 312.797 2.429 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1ccc(F)cc1 ZINC000876627732 689881622 /nfs/dbraw/zinc/88/16/22/689881622.db2.gz JSKHRNJNURUBKO-ZDUSSCGKSA-N 0 3 300.761 2.181 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001034528507 689886177 /nfs/dbraw/zinc/88/61/77/689886177.db2.gz OJQBVZQNZPLBTK-AWEZNQCLSA-N 0 3 315.417 2.046 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001034545533 689894654 /nfs/dbraw/zinc/89/46/54/689894654.db2.gz VCFUFNITAWPFBA-HZPDHXFCSA-N 0 3 304.438 2.218 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCN(CC)c1ccccc1 ZINC000876712991 689912267 /nfs/dbraw/zinc/91/22/67/689912267.db2.gz WBWVVXSERDVLDE-OAHLLOKOSA-N 0 3 309.841 2.489 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(-c2nncn2CC)c1 ZINC000876731538 689919144 /nfs/dbraw/zinc/91/91/44/689919144.db2.gz RRDDWFUGXZVGLP-ZDUSSCGKSA-N 0 3 319.796 2.373 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000876873858 689960735 /nfs/dbraw/zinc/96/07/35/689960735.db2.gz SNIOHCSZGNSXMA-GWCFXTLKSA-N 0 3 324.808 2.105 20 30 DEEDHN CCCC(=O)N1CCC[C@@H]1CNCc1cc(C#N)ccc1OC ZINC001034843853 689961591 /nfs/dbraw/zinc/96/15/91/689961591.db2.gz IBVJQCJMEQJNGZ-MRXNPFEDSA-N 0 3 315.417 2.448 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000876902545 689969079 /nfs/dbraw/zinc/96/90/79/689969079.db2.gz NGDJUPJKUWVJLE-KGLIPLIRSA-N 0 3 308.809 2.086 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000876901496 689969124 /nfs/dbraw/zinc/96/91/24/689969124.db2.gz FFFZOKSBGOWNKN-KKUMJFAQSA-N 0 3 308.809 2.493 20 30 DEEDHN COc1ccc(C)cc1CNC[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC001034879736 689977155 /nfs/dbraw/zinc/97/71/55/689977155.db2.gz JLCSSEIFHFUIJB-GDBMZVCRSA-N 0 3 315.417 2.244 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)c2cocn2)s1 ZINC001034882197 689977921 /nfs/dbraw/zinc/97/79/21/689977921.db2.gz MNLYGNVCHDXRED-LLVKDONJSA-N 0 3 316.386 2.002 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000876970136 689986010 /nfs/dbraw/zinc/98/60/10/689986010.db2.gz JTGGZRXSYJIHGJ-KBPBESRZSA-N 0 3 312.772 2.196 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000877252381 690057008 /nfs/dbraw/zinc/05/70/08/690057008.db2.gz MVLNQMSCCIRRRM-CABCVRRESA-N 0 3 324.808 2.065 20 30 DEEDHN N#CCc1cccc(C(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC000877340981 690080850 /nfs/dbraw/zinc/08/08/50/690080850.db2.gz SOTCPWNPQMOOQL-GOSISDBHSA-N 0 3 305.381 2.197 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000877567628 690154664 /nfs/dbraw/zinc/15/46/64/690154664.db2.gz ZIVZGNGBMYIUHP-GJZGRUSLSA-N 0 3 305.809 2.493 20 30 DEEDHN C#C[C@H]1CCCN(C[C@H](CCOC)NC(=O)OC(C)(C)C)C1 ZINC000877617929 690169121 /nfs/dbraw/zinc/16/91/21/690169121.db2.gz ZXDDOLLTBPQOAG-GJZGRUSLSA-N 0 3 310.438 2.261 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)c1cccnc1)CC2 ZINC001035835907 690188473 /nfs/dbraw/zinc/18/84/73/690188473.db2.gz VXXTUOQPFBXQLH-MRXNPFEDSA-N 0 3 311.429 2.133 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1ccccc1C#N ZINC001036021744 690238298 /nfs/dbraw/zinc/23/82/98/690238298.db2.gz KFSKNICKBMEZPP-KXBFYZLASA-N 0 3 321.424 2.298 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CC1(O)CCCCC1 ZINC000877916495 690259597 /nfs/dbraw/zinc/25/95/97/690259597.db2.gz DZKQJNUBFLOYKT-QGZVFWFLSA-N 0 3 302.418 2.436 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cc(OC)no2)[C@H](C)C1 ZINC001036141731 690273923 /nfs/dbraw/zinc/27/39/23/690273923.db2.gz IGVGIAQEVUCAKN-TZMCWYRMSA-N 0 3 321.421 2.222 20 30 DEEDHN CC(=O)[C@](C#N)(CCN(CCO)CC1CC1)c1ccccc1 ZINC000877995561 690281395 /nfs/dbraw/zinc/28/13/95/690281395.db2.gz HHKOJAXGNQNGIS-GOSISDBHSA-N 0 3 300.402 2.131 20 30 DEEDHN Cc1ncc(CN[C@H](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001036407518 690343181 /nfs/dbraw/zinc/34/31/81/690343181.db2.gz BXSBPCNBDUOGNR-CZUORRHYSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CC[C@H](C)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000878208641 690347399 /nfs/dbraw/zinc/34/73/99/690347399.db2.gz YERPPGQPDMAPPG-AWEZNQCLSA-N 0 3 312.417 2.418 20 30 DEEDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2c(C)cc(C#N)cc2C)n1 ZINC000931336404 694371572 /nfs/dbraw/zinc/37/15/72/694371572.db2.gz PGKYDYIDFYSGEL-JKSUJKDBSA-N 0 3 312.373 2.486 20 30 DEEDHN C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNCc1ccccn1 ZINC001036549948 690383138 /nfs/dbraw/zinc/38/31/38/690383138.db2.gz MXGLVTZWRKPGFW-MAUKXSAKSA-N 0 3 311.429 2.212 20 30 DEEDHN C[C@](O)(C[C@H](O)CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000878365194 690388510 /nfs/dbraw/zinc/38/85/10/690388510.db2.gz TWTOPVIBLJYENN-IRXDYDNUSA-N 0 3 300.402 2.049 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H]3CC4(CCC4)CO3)C2)nc1 ZINC000878642330 690463820 /nfs/dbraw/zinc/46/38/20/690463820.db2.gz ZWQHZRKSDGLEBW-HZPDHXFCSA-N 0 3 313.401 2.366 20 30 DEEDHN Cc1cccc(C(=O)NC2CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000879350912 690625887 /nfs/dbraw/zinc/62/58/87/690625887.db2.gz VFRMNRUIZGKKTP-OAHLLOKOSA-N 0 3 315.417 2.118 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@@H](CC)C1 ZINC001037895594 690635529 /nfs/dbraw/zinc/63/55/29/690635529.db2.gz GPUBGIOQRSMCEK-KBPBESRZSA-N 0 3 319.453 2.042 20 30 DEEDHN CC(C)(NCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCCO1 ZINC000879407918 690635569 /nfs/dbraw/zinc/63/55/69/690635569.db2.gz RXSBXNUDWVXMCZ-OAHLLOKOSA-N 0 3 301.390 2.434 20 30 DEEDHN C#CCOCCN1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756256 690723129 /nfs/dbraw/zinc/72/31/29/690723129.db2.gz SQFATIHCOOMQLL-GJZGRUSLSA-N 0 3 308.422 2.110 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001038342163 690787282 /nfs/dbraw/zinc/78/72/82/690787282.db2.gz RRYSRNZIPMVIBZ-DOTOQJQBSA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001038487563 690838732 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/nfs/dbraw/zinc/21/60/51/691216051.db2.gz XQOZWSWKJDKDGV-SFHVURJKSA-N 0 3 314.433 2.208 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)Cc3cncs3)C2)C1 ZINC001040251435 691220736 /nfs/dbraw/zinc/22/07/36/691220736.db2.gz YHQRSUYEMWFXDO-QGZVFWFLSA-N 0 3 317.458 2.023 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3cc(C)cc(C)n3)C2)C1 ZINC001040270963 691224145 /nfs/dbraw/zinc/22/41/45/691224145.db2.gz PJHPZGQCJIPYBF-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3CCC(OC)CC3)C2)C1 ZINC001040359391 691235306 /nfs/dbraw/zinc/23/53/06/691235306.db2.gz FKSDUANKQBJJQZ-TVPLGVNVSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccn(CC)n3)C2)C1 ZINC001040432629 691247408 /nfs/dbraw/zinc/24/74/08/691247408.db2.gz OIYIWGRHEITQDV-QGZVFWFLSA-N 0 3 302.422 2.017 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC001040533926 691262636 /nfs/dbraw/zinc/26/26/36/691262636.db2.gz HSMPUJPJCCPVPN-GOSISDBHSA-N 0 3 314.433 2.153 20 30 DEEDHN CCc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)o1 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CC#CCN1CC[C@]2(CCN(C(=O)c3cccc(CC)n3)C2)C1 ZINC001041363713 691368224 /nfs/dbraw/zinc/36/82/24/691368224.db2.gz VJFKQUNWENFROY-IBGZPJMESA-N 0 3 311.429 2.205 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001041402059 691371749 /nfs/dbraw/zinc/37/17/49/691371749.db2.gz FVEOWYSJPNNZQL-GDBMZVCRSA-N 0 3 313.873 2.004 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC001041497657 691384895 /nfs/dbraw/zinc/38/48/95/691384895.db2.gz JMYBSMIWFMTJJT-VXIBKDFQSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(C)cc3F)C2)C1 ZINC001041712388 691413849 /nfs/dbraw/zinc/41/38/49/691413849.db2.gz ZPHGPPKJQZBYON-GOSISDBHSA-N 0 3 300.377 2.305 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cccc(OC)c3C)C2)C1 ZINC001041712906 691414661 /nfs/dbraw/zinc/41/46/61/691414661.db2.gz YJCIDFJTBCEVOV-LJQANCHMSA-N 0 3 312.413 2.175 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3c[nH]cc3C3CC3)C2)C1 ZINC001041765747 691426347 /nfs/dbraw/zinc/42/63/47/691426347.db2.gz 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Cc1cccnc1CN1CC[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001042058656 691494392 /nfs/dbraw/zinc/49/43/92/691494392.db2.gz UAGVVROTXUHERW-HKUYNNGSSA-N 0 3 323.440 2.226 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccn4c(C)cnc4c3)C[C@@H]21 ZINC001042061440 691495402 /nfs/dbraw/zinc/49/54/02/691495402.db2.gz FQGXKCMJSNBPSI-RDJZCZTQSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C[C@H]21 ZINC001042086332 691503589 /nfs/dbraw/zinc/50/35/89/691503589.db2.gz WUWUZDSTBZSLEC-RHSMWYFYSA-N 0 3 314.433 2.020 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn4ccc(C)cc34)C[C@@H]21 ZINC001042104001 691509125 /nfs/dbraw/zinc/50/91/25/691509125.db2.gz YSVJOLATWOIYRL-YJBOKZPZSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)n3cnc(C)c3)C[C@@H]21 ZINC001042115723 691512384 /nfs/dbraw/zinc/51/23/84/691512384.db2.gz ZKUALPUWFJSXNU-HOTGVXAUSA-N 0 3 316.449 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@H]21 ZINC001042124658 691514335 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C=C(C)CN1CCc2c(CNC(=O)c3ccn[nH]3)cccc2C1 ZINC001051280217 693327930 /nfs/dbraw/zinc/32/79/30/693327930.db2.gz QUHRPMUIIKFTFS-UHFFFAOYSA-N 0 3 310.401 2.274 20 30 DEEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(CCC#N)cc1 ZINC000926195445 693413619 /nfs/dbraw/zinc/41/36/19/693413619.db2.gz XYWNEVFWMIHPSR-SWLSCSKDSA-N 0 3 316.405 2.377 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)c3cccs3)C2)CC1 ZINC001051975302 693421931 /nfs/dbraw/zinc/42/19/31/693421931.db2.gz RNAPBXZADKMVSO-OAHLLOKOSA-N 0 3 319.474 2.156 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)CC(C)(C)C)C2)CC1 ZINC001051982547 693423430 /nfs/dbraw/zinc/42/34/30/693423430.db2.gz GSYYKXLVXPMMFA-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C3CC3)C2)CC1 ZINC001052068762 693437294 /nfs/dbraw/zinc/43/72/94/693437294.db2.gz NQAVKJRWKAIAOF-QGZVFWFLSA-N 0 3 319.493 2.217 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001052093063 693440825 /nfs/dbraw/zinc/44/08/25/693440825.db2.gz 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/nfs/dbraw/zinc/54/39/20/693543920.db2.gz WOGAXCFJACGPBB-UKRRQHHQSA-N 0 3 301.390 2.332 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cc(C)c(Cl)cn2)CC1 ZINC001052489660 693547098 /nfs/dbraw/zinc/54/70/98/693547098.db2.gz PXOIPDXSIMWCTC-AWEZNQCLSA-N 0 3 319.836 2.190 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(OCC=C)cc2)CC1 ZINC001052500858 693550052 /nfs/dbraw/zinc/55/00/52/693550052.db2.gz QRLAEFXUOGZUCN-QGZVFWFLSA-N 0 3 312.413 2.469 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001052554981 693566381 /nfs/dbraw/zinc/56/63/81/693566381.db2.gz NYLKYTBSUPJSLX-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001052555824 693567212 /nfs/dbraw/zinc/56/72/12/693567212.db2.gz YXENUMJGUKCAHX-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCS[C@H](C)C1)C1CCN(C)CC1 ZINC000927228659 693573844 /nfs/dbraw/zinc/57/38/44/693573844.db2.gz REDFEJHQMQHNQD-KGLIPLIRSA-N 0 3 309.479 2.010 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2coc(=O)c3ccccc23)CC1 ZINC001052615490 693580276 /nfs/dbraw/zinc/58/02/76/693580276.db2.gz NEUDQGUSZAVSID-AWEZNQCLSA-N 0 3 324.380 2.011 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)C(C)(C)c2c(C)noc2C)CC1 ZINC001052644882 693587459 /nfs/dbraw/zinc/58/74/59/693587459.db2.gz CIZPMYOPYQJKJX-OAHLLOKOSA-N 0 3 317.433 2.173 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2C)CC1 ZINC001052672157 693592678 /nfs/dbraw/zinc/59/26/78/693592678.db2.gz MIZDTSYPNNQBJE-OAHLLOKOSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(OC)c2)CC1 ZINC001052736859 693606747 /nfs/dbraw/zinc/60/67/47/693606747.db2.gz BKHGHLFKSRGYLM-AWEZNQCLSA-N 0 3 304.365 2.052 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(-n3cccc3)nc2)CC1 ZINC001052800196 693621812 /nfs/dbraw/zinc/62/18/12/693621812.db2.gz GTXOGOVVXYJXQV-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927634569 693640713 /nfs/dbraw/zinc/64/07/13/693640713.db2.gz WHOINCRASXVPGU-DOTOQJQBSA-N 0 3 321.465 2.237 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(OCC)cc2)CC1 ZINC001052905528 693645721 /nfs/dbraw/zinc/64/57/21/693645721.db2.gz LFUZQDRCLDVTNW-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2cccc(F)c2)CC1 ZINC001052916078 693648223 /nfs/dbraw/zinc/64/82/23/693648223.db2.gz ILENIBADDZELQV-QGZVFWFLSA-N 0 3 302.393 2.362 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)CC1 ZINC001052946846 693653994 /nfs/dbraw/zinc/65/39/94/693653994.db2.gz ZIXKIIICYJAYFC-CQSZACIVSA-N 0 3 305.447 2.368 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC001052969309 693659031 /nfs/dbraw/zinc/65/90/31/693659031.db2.gz LSZFFFUPTKNYQV-IAGOWNOFSA-N 0 3 316.449 2.055 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2=COCCC2)C1 ZINC001053070303 693683140 /nfs/dbraw/zinc/68/31/40/693683140.db2.gz WTIHVFSGGRRGEZ-AEFFLSMTSA-N 0 3 316.445 2.407 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H](c1ccccn1)C1CC1 ZINC000932387063 694605096 /nfs/dbraw/zinc/60/50/96/694605096.db2.gz WBCUPKHBMAFSIL-APWZRJJASA-N 0 3 323.396 2.434 20 30 DEEDHN N#CCc1cccc(NC(=O)NC[C@H]2CCCCN2C2CC2)n1 ZINC000932424898 694611372 /nfs/dbraw/zinc/61/13/72/694611372.db2.gz PDOZPXBYAPPJHU-OAHLLOKOSA-N 0 3 313.405 2.286 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1nc(C)c(C)s1)CCOC ZINC001332927182 1149925350 /nfs/dbraw/zinc/92/53/50/1149925350.db2.gz DEYXMXNHBOIPRC-UHFFFAOYSA-N 0 3 311.451 2.014 20 30 DEEDHN CN(CCN1CC2(C1)CCOCC2)c1cc(F)ccc1C#N ZINC001413911377 1150521242 /nfs/dbraw/zinc/52/12/42/1150521242.db2.gz KNHAKYMEBMTGJC-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)SC)C1 ZINC001402492709 1162369579 /nfs/dbraw/zinc/36/95/79/1162369579.db2.gz IMWRBCHQTBREMG-GMTAPVOTSA-N 0 3 321.284 2.273 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCCn2nc(C)cc2C)C1 ZINC001402509037 1162374665 /nfs/dbraw/zinc/37/46/65/1162374665.db2.gz FZUURPHQRWANSV-SHTZXODSSA-N 0 3 324.856 2.269 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC001343490757 1150746913 /nfs/dbraw/zinc/74/69/13/1150746913.db2.gz OPAOWMPWBJDTDV-MRFFXNKRSA-N 0 3 316.357 2.014 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC001343715218 1150766043 /nfs/dbraw/zinc/76/60/43/1150766043.db2.gz UHMIHILLBHXHNS-QWHCGFSZSA-N 0 3 306.431 2.340 20 30 DEEDHN C=C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC001347786801 1151097899 /nfs/dbraw/zinc/09/78/99/1151097899.db2.gz QSKVCLOSEJMEHQ-MSOLQXFVSA-N 0 3 314.429 2.326 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccccc1 ZINC001348535342 1151167841 /nfs/dbraw/zinc/16/78/41/1151167841.db2.gz PDZGAGSCBCCSIV-KSZLIROESA-N 0 3 314.429 2.014 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1CCN(CC(C)C)CC1 ZINC001351656392 1151592850 /nfs/dbraw/zinc/59/28/50/1151592850.db2.gz FTWZPUMYDXFKQH-UHFFFAOYSA-N 0 3 316.453 2.088 20 30 DEEDHN C[C@@](O)(CNCC#C[C@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC001353378323 1151827347 /nfs/dbraw/zinc/82/73/47/1151827347.db2.gz UEJKQBHIGXUSHN-GHMZBOCLSA-N 0 3 315.282 2.097 20 30 DEEDHN C=CC[C@@H](CC)NCc1cn(C)nc1I ZINC001353592795 1151840765 /nfs/dbraw/zinc/84/07/65/1151840765.db2.gz GTNLVFYZGUIYCS-SNVBAGLBSA-N 0 3 319.190 2.469 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)NC1(C(=O)NC)CCCC1 ZINC001357244503 1152276294 /nfs/dbraw/zinc/27/62/94/1152276294.db2.gz ZIMHESHBQHKOCM-CQSZACIVSA-N 0 3 311.470 2.239 20 30 DEEDHN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21)C1CC1 ZINC001378683698 1152415040 /nfs/dbraw/zinc/41/50/40/1152415040.db2.gz GGSGWERCXRZHSR-XEKGUZQTSA-N 0 3 323.440 2.398 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1nccs1 ZINC001379755782 1152689912 /nfs/dbraw/zinc/68/99/12/1152689912.db2.gz QNCCZZRIXYXVEW-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN Cc1ccc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)cn1 ZINC001380058334 1152741692 /nfs/dbraw/zinc/74/16/92/1152741692.db2.gz KIQQWAZHUMMYJK-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN CCOCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001380259728 1152777252 /nfs/dbraw/zinc/77/72/52/1152777252.db2.gz LMKSKDMXGOOZET-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN CCOCC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001380259729 1152777378 /nfs/dbraw/zinc/77/73/78/1152777378.db2.gz LMKSKDMXGOOZET-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)C3CC3)CCC2)cc1F ZINC001380839690 1152863667 /nfs/dbraw/zinc/86/36/67/1152863667.db2.gz OVDAKQJQIQOMRX-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001381291430 1152988828 /nfs/dbraw/zinc/98/88/28/1152988828.db2.gz HBFGXFJOBHSDDQ-AWEZNQCLSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001382338473 1153428995 /nfs/dbraw/zinc/42/89/95/1153428995.db2.gz PCVBFOWYBFPRHJ-GDBMZVCRSA-N 0 3 313.873 2.194 20 30 DEEDHN COc1cc([C@H](C)N[C@@H](C)CCC#N)ccc1S(C)(=O)=O ZINC001363858835 1153674639 /nfs/dbraw/zinc/67/46/39/1153674639.db2.gz VMBCIGFPLDIDEG-RYUDHWBXSA-N 0 3 310.419 2.442 20 30 DEEDHN C[C@@H](NC(=O)c1cccnc1)[C@H](C)NCc1ccc(C#N)s1 ZINC001402958619 1162574627 /nfs/dbraw/zinc/57/46/27/1162574627.db2.gz RYRCELMXIMXJFM-NWDGAFQWSA-N 0 3 314.414 2.311 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccc1[O-])[NH2+]Cc1ccc(C#N)s1 ZINC001390281949 1155623093 /nfs/dbraw/zinc/62/30/93/1155623093.db2.gz FWBBUUSSDYEQLQ-NSHDSACASA-N 0 3 315.398 2.233 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001371171823 1155758055 /nfs/dbraw/zinc/75/80/55/1155758055.db2.gz UJQNKRGCBPNYJY-LLVKDONJSA-N 0 3 302.403 2.164 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@H]1CC(C)(C)CO1 ZINC001371802959 1156022579 /nfs/dbraw/zinc/02/25/79/1156022579.db2.gz IQXWXQWYCRFXCS-OLZOCXBDSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)C(C)(C)COC ZINC001371796422 1156019414 /nfs/dbraw/zinc/01/94/14/1156019414.db2.gz AFUCAKIPTSMHCT-LLVKDONJSA-N 0 3 321.259 2.052 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1csc(C)n1 ZINC001371871180 1156047469 /nfs/dbraw/zinc/04/74/69/1156047469.db2.gz CXSCRGKWFGOZSM-SNVBAGLBSA-N 0 3 301.843 2.231 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)NCc1cc(C#N)ccc1OC ZINC001391716051 1156727117 /nfs/dbraw/zinc/72/71/17/1156727117.db2.gz GSYMLCVOQLKVER-MAZHCROVSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(CC)nn2C)CCCC1 ZINC001391767766 1156792580 /nfs/dbraw/zinc/79/25/80/1156792580.db2.gz FSVARTZMUXWIOS-UHFFFAOYSA-N 0 3 324.856 2.367 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)CCCF ZINC001391912592 1156831062 /nfs/dbraw/zinc/83/10/62/1156831062.db2.gz ATCGSYADLLODAD-LBPRGKRZSA-N 0 3 309.360 2.289 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccc(OC)n1)C(C)C ZINC001392245559 1156912686 /nfs/dbraw/zinc/91/26/86/1156912686.db2.gz QMYXNPWPMBXDJE-ZDUSSCGKSA-N 0 3 311.813 2.187 20 30 DEEDHN CN(C/C=C\Cl)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001373288871 1156933396 /nfs/dbraw/zinc/93/33/96/1156933396.db2.gz QQCIOIMWBXIMGD-DTRQGZQOSA-N 0 3 306.797 2.033 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)c1ccccc1 ZINC001392541319 1157101313 /nfs/dbraw/zinc/10/13/13/1157101313.db2.gz CRQZTJHJJHXSAU-AWEZNQCLSA-N 0 3 323.396 2.475 20 30 DEEDHN COC[C@@H](C)CC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001392705834 1157357992 /nfs/dbraw/zinc/35/79/92/1157357992.db2.gz KJNYFWHUGRABRW-LSDHHAIUSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001373875244 1157426440 /nfs/dbraw/zinc/42/64/40/1157426440.db2.gz MRABJBMOBXOZFO-BBRMVZONSA-N 0 3 314.857 2.430 20 30 DEEDHN CO[C@H](C(=O)NCC[C@H](C)NCc1ccccc1C#N)C(C)C ZINC001403435450 1162881033 /nfs/dbraw/zinc/88/10/33/1162881033.db2.gz RXXGSDHVIKJWRJ-YOEHRIQHSA-N 0 3 317.433 2.214 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)C(C)(C)F)C(C)C ZINC001374407587 1157843427 /nfs/dbraw/zinc/84/34/27/1157843427.db2.gz WCANUTCPTWYORN-JTQLQIEISA-N 0 3 309.223 2.374 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C3CC3)CCC2)cc1C#N ZINC001393522614 1157850114 /nfs/dbraw/zinc/85/01/14/1157850114.db2.gz NCYSDLUCZWQGCA-UHFFFAOYSA-N 0 3 313.401 2.105 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)c1[nH]nc2ccccc21 ZINC001374554386 1157898309 /nfs/dbraw/zinc/89/83/09/1157898309.db2.gz LCRPNVLVTUDENB-UHFFFAOYSA-N 0 3 306.797 2.319 20 30 DEEDHN C[C@H](CNC(=O)c1cncs1)N(C)Cc1cccc(C#N)c1 ZINC001394058922 1158221409 /nfs/dbraw/zinc/22/14/09/1158221409.db2.gz WFJDONQMDIGUFL-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN Cc1nc(CN[C@@H](CCN(C)C(=O)[C@H](C)C#N)C(C)C)c(C)o1 ZINC001394175128 1158348712 /nfs/dbraw/zinc/34/87/12/1158348712.db2.gz WRLYJODEQOQSGM-DOMZBBRYSA-N 0 3 320.437 2.414 20 30 DEEDHN CC1(C(=O)N[C@@H](CNCc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001375233855 1158394285 /nfs/dbraw/zinc/39/42/85/1158394285.db2.gz VPXGZCPAODLIAI-INIZCTEOSA-N 0 3 315.392 2.482 20 30 DEEDHN CO[C@H](C)C(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001375773249 1158867815 /nfs/dbraw/zinc/86/78/15/1158867815.db2.gz NIYNYHTZCJPCDX-CQSZACIVSA-N 0 3 315.417 2.064 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001376356300 1159358138 /nfs/dbraw/zinc/35/81/38/1159358138.db2.gz LUJBXQFPDRJVHR-RCBQFDQVSA-N 0 3 315.417 2.350 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001376446652 1159431967 /nfs/dbraw/zinc/43/19/67/1159431967.db2.gz SGNSAOSCOTYSPZ-AEGPPILISA-N 0 3 324.384 2.238 20 30 DEEDHN CS[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001376707717 1159710860 /nfs/dbraw/zinc/71/08/60/1159710860.db2.gz DEYIVXNYNLFRHP-NEPJUHHUSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H](C)Oc1ccccn1 ZINC001377106061 1159903872 /nfs/dbraw/zinc/90/38/72/1159903872.db2.gz SYLWOOCTUODHHB-CHWSQXEVSA-N 0 3 311.813 2.086 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001397103139 1159987542 /nfs/dbraw/zinc/98/75/42/1159987542.db2.gz UYFOBUXUVTXOEX-OKILXGFUSA-N 0 3 324.856 2.196 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ncccc2F)C1 ZINC001397686732 1160399690 /nfs/dbraw/zinc/39/96/90/1160399690.db2.gz SCQBUAHXAFDCLJ-HAQNSBGRSA-N 0 3 311.788 2.000 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001377710374 1160765383 /nfs/dbraw/zinc/76/53/83/1160765383.db2.gz IBPGSWXMBCGYBC-UHFFFAOYSA-N 0 3 310.829 2.213 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001377753501 1160806272 /nfs/dbraw/zinc/80/62/72/1160806272.db2.gz KIALXASIOIACRG-BFHYXJOUSA-N 0 3 322.840 2.046 20 30 DEEDHN Cc1ccc(F)c(CN[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001398376458 1160869610 /nfs/dbraw/zinc/86/96/10/1160869610.db2.gz NXZDEYAYZGDYMT-LRDDRELGSA-N 0 3 303.381 2.278 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cnc2onc(CC)c2c1 ZINC001492877372 1161122364 /nfs/dbraw/zinc/12/23/64/1161122364.db2.gz AQEWPMSPUHFMCQ-UHFFFAOYSA-N 0 3 302.378 2.023 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)c2ccco2)cc1C#N ZINC001398859657 1161126063 /nfs/dbraw/zinc/12/60/63/1161126063.db2.gz OSYNUAPUJWANJZ-GFCCVEGCSA-N 0 3 313.357 2.068 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCn2ccnc2)CCCC1 ZINC001401176168 1161887486 /nfs/dbraw/zinc/88/74/86/1161887486.db2.gz OGLVSJFIJILUEN-UHFFFAOYSA-N 0 3 310.829 2.044 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1cc(F)ccc1F ZINC001401318294 1161928343 /nfs/dbraw/zinc/92/83/43/1161928343.db2.gz NRXMLCGDFFUAIK-NHYWBVRUSA-N 0 3 309.360 2.355 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001401613826 1162046086 /nfs/dbraw/zinc/04/60/86/1162046086.db2.gz KDXOUOKCSNIZIA-NEPJUHHUSA-N 0 3 309.435 2.029 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC12CC2 ZINC001401709254 1162085905 /nfs/dbraw/zinc/08/59/05/1162085905.db2.gz XLWXQIWIEYMRSL-FZMZJTMJSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]nc1C ZINC001402042834 1162225965 /nfs/dbraw/zinc/22/59/65/1162225965.db2.gz YCTDZSKKXBGZKE-JSGCOSHPSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001403846306 1163247634 /nfs/dbraw/zinc/24/76/34/1163247634.db2.gz DWIAIVQSPSLVFP-LBPRGKRZSA-N 0 3 310.829 2.020 20 30 DEEDHN CCCN(CCNC(=O)C1CC1)Cc1ccc(OC)c(C#N)c1 ZINC001404110456 1163454257 /nfs/dbraw/zinc/45/42/57/1163454257.db2.gz LMEATBARBXENHS-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](OC)C1CC1)NCc1ccc(C#N)s1 ZINC001405216464 1164017581 /nfs/dbraw/zinc/01/75/81/1164017581.db2.gz IAZXFEQGBFKNTJ-WFASDCNBSA-N 0 3 321.446 2.029 20 30 DEEDHN N#Cc1cc(C(=O)NCC2(NCc3ccccn3)CCCC2)c[nH]1 ZINC001405754479 1164221276 /nfs/dbraw/zinc/22/12/76/1164221276.db2.gz GAWBXLNDUUZWMM-UHFFFAOYSA-N 0 3 323.400 2.114 20 30 DEEDHN Cc1cccnc1CNC[C@@H](CC(C)C)NC(=O)[C@@H](C)C#N ZINC001405925490 1164338727 /nfs/dbraw/zinc/33/87/27/1164338727.db2.gz IRRHMFBWCSNQET-LSDHHAIUSA-N 0 3 302.422 2.170 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)C1(C)CC1 ZINC001406612179 1164729684 /nfs/dbraw/zinc/72/96/84/1164729684.db2.gz PYEQAZRTCLIPSB-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001406919181 1164883794 /nfs/dbraw/zinc/88/37/94/1164883794.db2.gz MRVRPWGYPGVDPV-UHFFFAOYSA-N 0 3 313.873 2.242 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)c(C(=O)OC)c1 ZINC001574857060 1166669966 /nfs/dbraw/zinc/66/99/66/1166669966.db2.gz KZTXAISJULHOLQ-NSHDSACASA-N 0 3 300.717 2.021 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001417969101 1167335129 /nfs/dbraw/zinc/33/51/29/1167335129.db2.gz WYQFVLMEMLNHTG-HNNXBMFYSA-N 0 3 321.371 2.430 20 30 DEEDHN COc1ccc(Cl)c(CN[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)c1 ZINC001418048625 1167382364 /nfs/dbraw/zinc/38/23/64/1167382364.db2.gz GIQOJDFKPUSEEK-DRZSPHRISA-N 0 3 321.808 2.245 20 30 DEEDHN C[C@@H](CNC(=O)C1(CF)CCC1)NCc1ccc(F)c(C#N)c1 ZINC001418279355 1167543655 /nfs/dbraw/zinc/54/36/55/1167543655.db2.gz GRUKGAJZASNQCU-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN CCN(CCNC(=O)Cc1cccnc1)Cc1cccc(C#N)c1 ZINC001418537643 1167790321 /nfs/dbraw/zinc/79/03/21/1167790321.db2.gz MLCRFKPOHGFMTL-UHFFFAOYSA-N 0 3 322.412 2.134 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC001418851252 1168009474 /nfs/dbraw/zinc/00/94/74/1168009474.db2.gz CJKJTCQBNYRCKE-OAHLLOKOSA-N 0 3 318.808 2.152 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001419069613 1168176236 /nfs/dbraw/zinc/17/62/36/1168176236.db2.gz VCDNLVXXOHWOBG-TZMCWYRMSA-N 0 3 308.813 2.202 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1ccccc1OC1CC1 ZINC001419181708 1168297808 /nfs/dbraw/zinc/29/78/08/1168297808.db2.gz QLLMJUXNXFFSLY-HIFRSBDPSA-N 0 3 315.417 2.372 20 30 DEEDHN CCC(=O)NC1(CNCc2cc(C#N)ccc2OC)CCCC1 ZINC001419270190 1168362831 /nfs/dbraw/zinc/36/28/31/1168362831.db2.gz YEEPTAYPHBPVLF-UHFFFAOYSA-N 0 3 315.417 2.495 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001419459059 1168505973 /nfs/dbraw/zinc/50/59/73/1168505973.db2.gz FKJGGYIXCUIKPX-WQAKAFBOSA-N 0 3 309.772 2.376 20 30 DEEDHN CO[C@H](CC(C)C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001420467410 1169604435 /nfs/dbraw/zinc/60/44/35/1169604435.db2.gz GBFMIJNRVPVAAM-SWLSCSKDSA-N 0 3 323.462 2.275 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccon3)CCC2)s1 ZINC001421740846 1171953642 /nfs/dbraw/zinc/95/36/42/1171953642.db2.gz LGDWCENRWUPCGF-UHFFFAOYSA-N 0 3 316.386 2.050 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1CCC1CC1 ZINC001421954619 1172178941 /nfs/dbraw/zinc/17/89/41/1172178941.db2.gz QQHREVGRWXZURL-RDTXWAMCSA-N 0 3 311.429 2.489 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H](C)SC ZINC001422127455 1172325682 /nfs/dbraw/zinc/32/56/82/1172325682.db2.gz DCHCHWLXZXGHEH-VHSXEESVSA-N 0 3 309.273 2.131 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)Cn2cccn2)CC1 ZINC001422196556 1172384963 /nfs/dbraw/zinc/38/49/63/1172384963.db2.gz QUOQZUHEXZKPHE-UHFFFAOYSA-N 0 3 324.856 2.196 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCO[C@@H]1C ZINC001422460565 1172610053 /nfs/dbraw/zinc/61/00/53/1172610053.db2.gz BNAXTNWWZYIUFJ-CHWSQXEVSA-N 0 3 302.846 2.238 20 30 DEEDHN CCC1(C(=O)N[C@H](C)CNCc2ccc(F)c(C#N)c2)CC1 ZINC001422547196 1172696278 /nfs/dbraw/zinc/69/62/78/1172696278.db2.gz QFEMGQVXILCMGH-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC001422909417 1172919646 /nfs/dbraw/zinc/91/96/46/1172919646.db2.gz YOHTZSMRXASFKZ-MGPQQGTHSA-N 0 3 300.830 2.040 20 30 DEEDHN Cc1cc(C(=O)N(C)C[C@H](C)NCc2ccc(C#N)s2)on1 ZINC001423030789 1173028764 /nfs/dbraw/zinc/02/87/64/1173028764.db2.gz SRMIWIXISPTSSK-NSHDSACASA-N 0 3 318.402 2.167 20 30 DEEDHN C[C@H](CN(C)C(=O)c1nccs1)NCc1ccc(C#N)s1 ZINC001423137250 1173107070 /nfs/dbraw/zinc/10/70/70/1173107070.db2.gz SYJNNOMUQFDDMN-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN N#CC1(c2ccc(CN3CCC([C@H](F)C(N)=O)CC3)cc2)CC1 ZINC001423426690 1173345519 /nfs/dbraw/zinc/34/55/19/1173345519.db2.gz RJLJLAVEYRDTDV-INIZCTEOSA-N 0 3 315.392 2.277 20 30 DEEDHN Cc1cccnc1CN1CCC(C)(NC(=O)[C@H](C)C#N)CC1 ZINC001423511129 1173381089 /nfs/dbraw/zinc/38/10/89/1173381089.db2.gz ZFYRJLUGFLMZQW-CQSZACIVSA-N 0 3 300.406 2.020 20 30 DEEDHN CCC1(NCc2cscn2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001424354993 1173769643 /nfs/dbraw/zinc/76/96/43/1173769643.db2.gz BMMYLCQREFVHLD-LBPRGKRZSA-N 0 3 306.435 2.164 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@H]1OCC ZINC001424862889 1173997182 /nfs/dbraw/zinc/99/71/82/1173997182.db2.gz PGGUEPKWIHHZFI-QWHCGFSZSA-N 0 3 302.846 2.238 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)c1 ZINC001424918028 1174031286 /nfs/dbraw/zinc/03/12/86/1174031286.db2.gz DQMQORZBYWSOAJ-JKSUJKDBSA-N 0 3 317.433 2.278 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001433886231 1178052774 /nfs/dbraw/zinc/05/27/74/1178052774.db2.gz CYIWDVBLPLIMHY-LBPRGKRZSA-N 0 3 307.344 2.439 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@H]1CCCc2c1cnn2C ZINC001434462465 1178600749 /nfs/dbraw/zinc/60/07/49/1178600749.db2.gz CTDAEOFNXXYICG-WMZOPIPTSA-N 0 3 310.401 2.335 20 30 DEEDHN CC1(C)Cc2n[nH]cc2CN(C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434481076 1178640335 /nfs/dbraw/zinc/64/03/35/1178640335.db2.gz XTAIQPZBLFYEEO-KRWDZBQOSA-N 0 3 310.401 2.399 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)n1 ZINC001436157321 1179020844 /nfs/dbraw/zinc/02/08/44/1179020844.db2.gz MAYXBXVPOKVEBE-ZDUSSCGKSA-N 0 3 320.824 2.457 20 30 DEEDHN Cc1nc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)sc1C ZINC001436419293 1179088894 /nfs/dbraw/zinc/08/88/94/1179088894.db2.gz VFZCEZJUTSDJPZ-LEWSCRJBSA-N 0 3 320.462 2.294 20 30 DEEDHN Cc1ccc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)cn1 ZINC001437110161 1179423662 /nfs/dbraw/zinc/42/36/62/1179423662.db2.gz QLLLXUQTIYSMGD-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)C2(C)CCC2)cc1C#N ZINC001437184641 1179525661 /nfs/dbraw/zinc/52/56/61/1179525661.db2.gz HAPQNXOEXMPNDR-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NCc1ccc(F)c(C#N)c1 ZINC001437187992 1179529762 /nfs/dbraw/zinc/52/97/62/1179529762.db2.gz XWQYWKZAQKWJQI-WBHUJUFNSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NCc1ccc(F)c(C#N)c1 ZINC001437187991 1179530881 /nfs/dbraw/zinc/53/08/81/1179530881.db2.gz XWQYWKZAQKWJQI-CDHAZOANSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cc(C2CC2)no1 ZINC001437383244 1179775613 /nfs/dbraw/zinc/77/56/13/1179775613.db2.gz RBNKBJIVDJIPJC-LLVKDONJSA-N 0 3 311.813 2.331 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438632441 1180700554 /nfs/dbraw/zinc/70/05/54/1180700554.db2.gz RVSMUTRIAQPRTC-BLLLJJGKSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1cccc2cn[nH]c21 ZINC001438682837 1180755603 /nfs/dbraw/zinc/75/56/03/1180755603.db2.gz SFABGRTWKMFPIW-NSHDSACASA-N 0 3 306.797 2.366 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1cccc2c[nH]nc21 ZINC001438682837 1180755611 /nfs/dbraw/zinc/75/56/11/1180755611.db2.gz SFABGRTWKMFPIW-NSHDSACASA-N 0 3 306.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001440327804 1181450339 /nfs/dbraw/zinc/45/03/39/1181450339.db2.gz OLSSXQUDSWLOPR-MGPQQGTHSA-N 0 3 300.830 2.183 20 30 DEEDHN CCC[C@H](OC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001441595698 1182081029 /nfs/dbraw/zinc/08/10/29/1182081029.db2.gz SFDWMTITQJAQKE-WFASDCNBSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@H](CNC(=O)CC[C@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001441761983 1182150712 /nfs/dbraw/zinc/15/07/12/1182150712.db2.gz KLKNBSZGMBHTMF-CHWSQXEVSA-N 0 3 321.446 2.173 20 30 DEEDHN CCC1(C(=O)NC[C@H](C)NCc2ccc(C#N)c(F)c2)CC1 ZINC001441930952 1182255305 /nfs/dbraw/zinc/25/53/05/1182255305.db2.gz FOPRWKFVXRRBLD-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001444108580 1183289141 /nfs/dbraw/zinc/28/91/41/1183289141.db2.gz KWGMPCSGJPFGKU-HIFRSBDPSA-N 0 3 300.830 2.183 20 30 DEEDHN CCO[C@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C1CC1 ZINC001445368632 1183851037 /nfs/dbraw/zinc/85/10/37/1183851037.db2.gz SONXYAIJCUVQAF-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001445614606 1183936746 /nfs/dbraw/zinc/93/67/46/1183936746.db2.gz HLWOYCIHAMIQSF-NJZAAPMLSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1C ZINC001447541171 1184804998 /nfs/dbraw/zinc/80/49/98/1184804998.db2.gz OMEKBESDRLRYHT-WFASDCNBSA-N 0 3 324.856 2.161 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccnnc2)CC1 ZINC001447738286 1184853856 /nfs/dbraw/zinc/85/38/56/1184853856.db2.gz KUKOIADCARTPJF-UHFFFAOYSA-N 0 3 322.840 2.403 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001447950811 1184975211 /nfs/dbraw/zinc/97/52/11/1184975211.db2.gz VGZKTGPWOPEOPQ-UHFFFAOYSA-N 0 3 308.813 2.327 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnn2ccc(C)cc12 ZINC001448886359 1185447770 /nfs/dbraw/zinc/44/77/70/1185447770.db2.gz ZCTQGYDXQTZJKN-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001449264787 1185600034 /nfs/dbraw/zinc/60/00/34/1185600034.db2.gz DMVYXLVBHCVJCV-CQSZACIVSA-N 0 3 315.889 2.250 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC001449362918 1185677384 /nfs/dbraw/zinc/67/73/84/1185677384.db2.gz HQNHDVWLHOBMKI-GWMXKSKGSA-N 0 3 307.344 2.203 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)c(C)c2)C1 ZINC001332029298 1149810295 /nfs/dbraw/zinc/81/02/95/1149810295.db2.gz FHCNKFXJZJFNNA-GDBMZVCRSA-N 0 3 300.402 2.220 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001332086047 1149817991 /nfs/dbraw/zinc/81/79/91/1149817991.db2.gz WYEJHUCGYYAORO-HOTGVXAUSA-N 0 3 312.417 2.019 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)[C@H](C)CC(F)(F)F)CCC[C@@H]12 ZINC001332099928 1149819479 /nfs/dbraw/zinc/81/94/79/1149819479.db2.gz MELCLWIHRTVXRP-BZPMIXESSA-N 0 3 302.340 2.321 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 ZINC001072856942 790275848 /nfs/dbraw/zinc/27/58/48/790275848.db2.gz AXXHUZYDOSVXDR-UHFFFAOYSA-N 0 3 302.340 2.439 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)COCC(F)F ZINC001099153526 782331539 /nfs/dbraw/zinc/33/15/39/782331539.db2.gz MLKCIZBKBUXQOK-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)no2)CC(C)(C)C1 ZINC001089312078 782482174 /nfs/dbraw/zinc/48/21/74/782482174.db2.gz GXEDYUFPQMNUGX-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc2c1CCC2)CCOC ZINC001332927380 1149926090 /nfs/dbraw/zinc/92/60/90/1149926090.db2.gz HHFXVFFYGJSAQY-UHFFFAOYSA-N 0 3 316.445 2.430 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)c1ccc(Br)cc1 ZINC001333023267 1149963045 /nfs/dbraw/zinc/96/30/45/1149963045.db2.gz RTZHJFYUYUBFMA-CQSZACIVSA-N 0 3 312.207 2.064 20 30 DEEDHN CC[C@H](C(=O)N(CC)CCNc1cccc(F)c1C#N)N(C)C ZINC001106804786 782950952 /nfs/dbraw/zinc/95/09/52/782950952.db2.gz FQAFFEUMLRKAOG-MRXNPFEDSA-N 0 3 320.412 2.298 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001099310712 783042989 /nfs/dbraw/zinc/04/29/89/783042989.db2.gz UBZDUAIFMQLDQR-AWEZNQCLSA-N 0 3 318.465 2.480 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCOCC2)CC(C)(C)C1 ZINC001089370188 783053128 /nfs/dbraw/zinc/05/31/28/783053128.db2.gz NDNUFTCEVYSARI-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c(F)cncc2F)CC(C)(C)C1 ZINC001089398609 783067145 /nfs/dbraw/zinc/06/71/45/783067145.db2.gz IZFRPYOOIVFAHN-LBPRGKRZSA-N 0 3 321.371 2.213 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(CC)n2)CC(C)(C)C1 ZINC001089408348 783075543 /nfs/dbraw/zinc/07/55/43/783075543.db2.gz FZGLMDQTNUWWST-INIZCTEOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)CC(C)(C)C1 ZINC001089410912 783078607 /nfs/dbraw/zinc/07/86/07/783078607.db2.gz XBGOGKIKDHRFJK-PMPSAXMXSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnc3[nH]ccc3c2)CC(C)(C)C1 ZINC001089413120 783080322 /nfs/dbraw/zinc/08/03/22/783080322.db2.gz UWQDRSATVKSGHK-INIZCTEOSA-N 0 3 324.428 2.368 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC(C)(C)C1 ZINC001089440321 783109277 /nfs/dbraw/zinc/10/92/77/783109277.db2.gz NNDWYEDAIMHVSV-VVLHAWIVSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2-c2cn[nH]c2)C[C@H]1C ZINC000947379023 783122067 /nfs/dbraw/zinc/12/20/67/783122067.db2.gz QTCVIQFVBGXVAA-GDBMZVCRSA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(F)F)ncn2)C[C@@H]1C ZINC000947446383 783138345 /nfs/dbraw/zinc/13/83/45/783138345.db2.gz VDNZUUNXRIDKRH-RYUDHWBXSA-N 0 3 322.359 2.020 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ncccc2F)CC(C)(C)C1 ZINC001089475935 783141465 /nfs/dbraw/zinc/14/14/65/783141465.db2.gz CKLKWNMHQHVLCZ-AWEZNQCLSA-N 0 3 317.408 2.003 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)C[C@@H]1C ZINC000947469053 783145428 /nfs/dbraw/zinc/14/54/28/783145428.db2.gz VIWNTBQXTQRTTE-FZMZJTMJSA-N 0 3 318.421 2.050 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240743 783164249 /nfs/dbraw/zinc/16/42/49/783164249.db2.gz CLCQDKRFTGLTPP-IAGOWNOFSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2onc3c2CCCC3)C[C@@H]1C ZINC000947539958 783165643 /nfs/dbraw/zinc/16/56/43/783165643.db2.gz KLLUAXOGRUVOHH-QWHCGFSZSA-N 0 3 303.406 2.322 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1C ZINC000947572314 783178107 /nfs/dbraw/zinc/17/81/07/783178107.db2.gz MCHNBIBOCAMYLD-RDJZCZTQSA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)C[C@H]1C ZINC000947576282 783180151 /nfs/dbraw/zinc/18/01/51/783180151.db2.gz KAZLTSPPWZXBGC-CABCVRRESA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3ncccc32)C[C@H]1C ZINC000947592537 783183995 /nfs/dbraw/zinc/18/39/95/783183995.db2.gz ACMAFNMTUOCJFL-HUUCEWRRSA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)CC(C)(C)C1 ZINC001089540615 783191586 /nfs/dbraw/zinc/19/15/86/783191586.db2.gz FSJAMMIWFUWZQT-RDJZCZTQSA-N 0 3 313.445 2.425 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2oc(CC)nc2C)CC(C)(C)C1 ZINC001089534130 783191656 /nfs/dbraw/zinc/19/16/56/783191656.db2.gz OYRPTOXFJKDHGO-AWEZNQCLSA-N 0 3 317.433 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C[C@@H]1C ZINC000947719504 783212971 /nfs/dbraw/zinc/21/29/71/783212971.db2.gz OOLXBVDFESSJAK-LSDHHAIUSA-N 0 3 319.453 2.093 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2F)C[C@@H]1C ZINC000947754964 783224051 /nfs/dbraw/zinc/22/40/51/783224051.db2.gz WBCLRQOMFJSAPK-ZFWWWQNUSA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3nc(C4CC4)oc3C)C2)C1 ZINC001073089338 790445213 /nfs/dbraw/zinc/44/52/13/790445213.db2.gz MRMCGDLWHWUFGA-UHFFFAOYSA-N 0 3 301.390 2.194 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CCC)[C@H]2C1 ZINC001083187441 776584382 /nfs/dbraw/zinc/58/43/82/776584382.db2.gz SNQQYIJEDYMCGC-WCXIOVBPSA-N 0 3 306.450 2.300 20 30 DEEDHN CC(C)(C)OC(=O)N1CCO[C@H](CCN2CCC(C#N)CC2)C1 ZINC001209055875 776658371 /nfs/dbraw/zinc/65/83/71/776658371.db2.gz HWILZEPXDYTGNS-OAHLLOKOSA-N 0 3 323.437 2.248 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@H](O)C1 ZINC001090747858 790482055 /nfs/dbraw/zinc/48/20/55/790482055.db2.gz LAHCACZQXSGRTH-LSDHHAIUSA-N 0 3 324.371 2.365 20 30 DEEDHN C[C@@H](NCCNC(=O)c1cc(C#N)c[nH]1)c1cccc(F)c1 ZINC001125370765 776836762 /nfs/dbraw/zinc/83/67/62/776836762.db2.gz SXWDOHLKEAAZLO-LLVKDONJSA-N 0 3 300.337 2.106 20 30 DEEDHN C=CCCCC(=O)NC1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001073166583 790498274 /nfs/dbraw/zinc/49/82/74/790498274.db2.gz VPNAUTBDLSRUMI-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H](O)C1 ZINC001090778378 790524013 /nfs/dbraw/zinc/52/40/13/790524013.db2.gz WLLHODSIZLYNBQ-DLBZAZTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H](C)C3CCCC3)[C@H]2C1 ZINC001083244687 777336009 /nfs/dbraw/zinc/33/60/09/777336009.db2.gz GMIYVLSUVDSKPO-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1c1ccccc1 ZINC001211557341 777393806 /nfs/dbraw/zinc/39/38/06/777393806.db2.gz MUGYFXZVGMQAQF-HYVNUMGLSA-N 0 3 316.470 2.203 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1c1ccccc1 ZINC001211592899 777504251 /nfs/dbraw/zinc/50/42/51/777504251.db2.gz GTGLFVVJRHBUSP-HRCADAONSA-N 0 3 318.367 2.249 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)C1CC1)C[C@@H](C)O2 ZINC001098580708 777592352 /nfs/dbraw/zinc/59/23/52/777592352.db2.gz RXLLEWKRIWVGPG-CABCVRRESA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc[nH]c1C)C[C@@H](C)O2 ZINC001098583863 777650044 /nfs/dbraw/zinc/65/00/44/777650044.db2.gz YYVYENLBXLXWHJ-CQSZACIVSA-N 0 3 317.433 2.205 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001114944192 777671053 /nfs/dbraw/zinc/67/10/53/777671053.db2.gz DSJCSDAIRGHCOG-FVQHAEBGSA-N 0 3 314.404 2.381 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(C)o3)C(C)(C)[C@H]21 ZINC001087271197 777676348 /nfs/dbraw/zinc/67/63/48/777676348.db2.gz NPRNYBHTDVGSIG-KBMXLJTQSA-N 0 3 300.402 2.440 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccn3C)C(C)(C)[C@H]21 ZINC001087273093 777685958 /nfs/dbraw/zinc/68/59/58/777685958.db2.gz SCGDRCTXRRUAIW-OIISXLGYSA-N 0 3 313.445 2.267 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3occc3C)C(C)(C)[C@H]21 ZINC001087274612 777688979 /nfs/dbraw/zinc/68/89/79/777688979.db2.gz UFSUNZLKXQEPRC-BMFZPTHFSA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3occc3C)C(C)(C)[C@H]21 ZINC001087303630 777754742 /nfs/dbraw/zinc/75/47/42/777754742.db2.gz PIPYHJFTMAFVBA-OLMNPRSZSA-N 0 3 314.429 2.369 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ocnc1CC ZINC001087304142 777757223 /nfs/dbraw/zinc/75/72/23/777757223.db2.gz XWBVOQIIGJIFJC-UHOFOFEASA-N 0 3 315.417 2.089 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3nccs3)C(C)(C)[C@H]21 ZINC001087309162 777768502 /nfs/dbraw/zinc/76/85/02/777768502.db2.gz BQSSMEXVHRQDEO-MCIONIFRSA-N 0 3 317.458 2.385 20 30 DEEDHN CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CC#Cc1ccccc1 ZINC001087323077 777788386 /nfs/dbraw/zinc/78/83/86/777788386.db2.gz RJAHGBTWVUDYCO-HAGHYFMRSA-N 0 3 308.425 2.227 20 30 DEEDHN CCCCCCCNCc1cn([C@H]2CCN(C(C)=O)C2)nn1 ZINC001098591349 777794332 /nfs/dbraw/zinc/79/43/32/777794332.db2.gz FDRKRGCGTWLPMD-INIZCTEOSA-N 0 3 307.442 2.131 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C ZINC001104692807 778022820 /nfs/dbraw/zinc/02/28/20/778022820.db2.gz RRXGNJDZDCBZFN-QMTHXVAHSA-N 0 3 324.856 2.467 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2cscn2)C1 ZINC001112020412 778032117 /nfs/dbraw/zinc/03/21/17/778032117.db2.gz DRBQGEZJFORXCF-YOEHRIQHSA-N 0 3 317.458 2.070 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1c1ccccc1 ZINC001211650499 778117444 /nfs/dbraw/zinc/11/74/44/778117444.db2.gz KUNLFVOZEXCQFJ-GVDBMIGSSA-N 0 3 302.393 2.342 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C ZINC001104800976 778187237 /nfs/dbraw/zinc/18/72/37/778187237.db2.gz QCUDKIWUIIPMLO-QMTHXVAHSA-N 0 3 324.856 2.467 20 30 DEEDHN CS[C@H](C)CC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001125873445 778206333 /nfs/dbraw/zinc/20/63/33/778206333.db2.gz SERWPBUGMUFXLO-LLVKDONJSA-N 0 3 309.410 2.045 20 30 DEEDHN C=CCC[C@H](C)NCc1cn([C@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615162 778278973 /nfs/dbraw/zinc/27/89/73/778278973.db2.gz LQBXSBBAVVCTPJ-HOCLYGCPSA-N 0 3 319.453 2.152 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)CC1(C)C ZINC001073341448 790607626 /nfs/dbraw/zinc/60/76/26/790607626.db2.gz HXMFYENQECLJBC-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)C[C@H](C)CC)C2)nn1 ZINC001105227598 778391200 /nfs/dbraw/zinc/39/12/00/778391200.db2.gz QIISPBOGHQRWCV-CQSZACIVSA-N 0 3 319.453 2.153 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@H]1C(F)(F)F ZINC001112098719 778438419 /nfs/dbraw/zinc/43/84/19/778438419.db2.gz QCZKQIGQYVLZIY-NALFIARHSA-N 0 3 302.340 2.345 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)c(F)c2)co1 ZINC001126214458 778607245 /nfs/dbraw/zinc/60/72/45/778607245.db2.gz GCCNNRSCDBWLJC-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc4c(c3)ncn4C)C2)C1 ZINC000981856892 778722344 /nfs/dbraw/zinc/72/23/44/778722344.db2.gz RGAREFBJCMMBTO-UHFFFAOYSA-N 0 3 324.428 2.297 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccoc2Cl)cc1F ZINC001126361014 778826206 /nfs/dbraw/zinc/82/62/06/778826206.db2.gz UQBDVQGOPNLRKG-UHFFFAOYSA-N 0 3 321.739 2.463 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112120504 778833042 /nfs/dbraw/zinc/83/30/42/778833042.db2.gz XOANABCIGYEXQC-IACUBPJLSA-N 0 3 316.367 2.425 20 30 DEEDHN C#CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(C)=O)C1 ZINC001087472315 779130698 /nfs/dbraw/zinc/13/06/98/779130698.db2.gz YBXFQZMIHOKXHG-ROUUACIJSA-N 0 3 300.402 2.013 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COC3CCC(C)CC3)C2)C1 ZINC001073482110 790683582 /nfs/dbraw/zinc/68/35/82/790683582.db2.gz XOEHACSLKRQHQU-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(CNCCCC)nn2)C1 ZINC001098698149 779204575 /nfs/dbraw/zinc/20/45/75/779204575.db2.gz QXCIBKFNJZIPDL-OAHLLOKOSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](C)OC)C1 ZINC001112156923 779249872 /nfs/dbraw/zinc/24/98/72/779249872.db2.gz IIVHJJRYBGMSIE-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1CC ZINC001087576600 779361655 /nfs/dbraw/zinc/36/16/55/779361655.db2.gz RLOSIBYPROUWKM-NWDGAFQWSA-N 0 3 309.435 2.311 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C2CC2)[C@H]1CC ZINC001087588147 779366525 /nfs/dbraw/zinc/36/65/25/779366525.db2.gz COJYVPHOMBFTOT-LSDHHAIUSA-N 0 3 302.422 2.066 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1CC ZINC001087591068 779368914 /nfs/dbraw/zinc/36/89/14/779368914.db2.gz MMJXHTATRLWXRA-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c(CC)noc2CC)[C@H]1CC ZINC001087605651 779374414 /nfs/dbraw/zinc/37/44/14/779374414.db2.gz PENVHQZYFIDRKW-JKSUJKDBSA-N 0 3 319.449 2.497 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cn2)[C@H]1CC ZINC001087733338 779429987 /nfs/dbraw/zinc/42/99/87/779429987.db2.gz ULWVQQTVZMMGLE-ZWKOTPCHSA-N 0 3 313.445 2.179 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2CC)nn1 ZINC001087754811 779438305 /nfs/dbraw/zinc/43/83/05/779438305.db2.gz BNNNXCBRTTUKNU-GOEBONIOSA-N 0 3 317.437 2.013 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2OC)[C@H]1CC ZINC001087804882 779458292 /nfs/dbraw/zinc/45/82/92/779458292.db2.gz AYBWJWNIZGEBRN-QWHCGFSZSA-N 0 3 306.431 2.363 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc3ccccc3n2C)[C@H]1CC ZINC001087843987 779481341 /nfs/dbraw/zinc/48/13/41/779481341.db2.gz BIMTUQJTMUFTRT-ZWKOTPCHSA-N 0 3 323.440 2.323 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)s3)C[C@@H]2C1 ZINC001087868889 779503038 /nfs/dbraw/zinc/50/30/38/779503038.db2.gz ZSFSOHKDANBHLV-CABCVRRESA-N 0 3 302.443 2.474 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001087988167 779616565 /nfs/dbraw/zinc/61/65/65/779616565.db2.gz UCPHLLIMOFWWQE-ZNMIVQPWSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cscc3Cl)C[C@@H]2C1 ZINC001088004341 779628578 /nfs/dbraw/zinc/62/85/78/779628578.db2.gz UZPJZXKRTUTKTN-NEPJUHHUSA-N 0 3 308.834 2.429 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc4cnccc4o3)C[C@@H]2C1 ZINC001088028086 779645079 /nfs/dbraw/zinc/64/50/79/779645079.db2.gz UNKJRTIZHWWZRT-ZBFHGGJFSA-N 0 3 323.396 2.245 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(CC)cc3)C[C@@H]2C1 ZINC001088121935 779713996 /nfs/dbraw/zinc/71/39/96/779713996.db2.gz FCMSLVUDCGLLHW-MOPGFXCFSA-N 0 3 310.441 2.205 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3CCCCO3)C[C@@H]2C1 ZINC001088125521 779715220 /nfs/dbraw/zinc/71/52/20/779715220.db2.gz NXWYJGHYLGVCJY-FGTMMUONSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3)C[C@@H]2C1 ZINC001088208732 779776083 /nfs/dbraw/zinc/77/60/83/779776083.db2.gz OKTFFQIHYZTAHH-UHOSZYNNSA-N 0 3 310.441 2.279 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001088232270 779786077 /nfs/dbraw/zinc/78/60/77/779786077.db2.gz MJJXPAFJYDHXCX-ZNZANGIRSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001088306492 779931961 /nfs/dbraw/zinc/93/19/61/779931961.db2.gz XZFIZQJXBRAJED-CQSZACIVSA-N 0 3 324.856 2.456 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001088306491 779932067 /nfs/dbraw/zinc/93/20/67/779932067.db2.gz XZFIZQJXBRAJED-AWEZNQCLSA-N 0 3 324.856 2.456 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001088324811 779953729 /nfs/dbraw/zinc/95/37/29/779953729.db2.gz AGJLXNYFTLFXJD-HNNXBMFYSA-N 0 3 324.856 2.456 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001088395654 780068106 /nfs/dbraw/zinc/06/81/06/780068106.db2.gz MMDPCRUQLBDVTI-OAHLLOKOSA-N 0 3 324.856 2.456 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2sccc2F)c1 ZINC001126698241 780424737 /nfs/dbraw/zinc/42/47/37/780424737.db2.gz QRDINNKKQURBKO-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3c(CC)noc3CC)[C@@H]2C1 ZINC001075892492 780424850 /nfs/dbraw/zinc/42/48/50/780424850.db2.gz ZVIKPMKRVLRFPX-XJKSGUPXSA-N 0 3 317.433 2.061 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cncc4ccccc43)[C@@H]2C1 ZINC001075903541 780525552 /nfs/dbraw/zinc/52/55/52/780525552.db2.gz CMAYMOWMSYBPFF-QFBILLFUSA-N 0 3 321.424 2.496 20 30 DEEDHN COc1ccc2c(c1)C[C@@H](N1CCC3SC(=O)C=C3C1)C2 ZINC001168268226 780578925 /nfs/dbraw/zinc/57/89/25/780578925.db2.gz OVGNMIPDMDDSLQ-HOCLYGCPSA-N 0 3 301.411 2.437 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncnc3ccsc32)[C@H]1C ZINC001088609957 780610357 /nfs/dbraw/zinc/61/03/57/780610357.db2.gz UOEYVIZNDVPVKQ-NEPJUHHUSA-N 0 3 316.430 2.460 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001073738886 790831422 /nfs/dbraw/zinc/83/14/22/790831422.db2.gz GDBPSMAICLGHEH-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2occc2CC)C1 ZINC001073752951 790843779 /nfs/dbraw/zinc/84/37/79/790843779.db2.gz KCPUDCPCIUYMDG-OAHLLOKOSA-N 0 3 306.406 2.239 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)[C@H]1C ZINC001088814101 781034632 /nfs/dbraw/zinc/03/46/32/781034632.db2.gz ZCRIMTRGPZRHSS-SNPRPXQTSA-N 0 3 318.421 2.030 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccn(CC(C)C)n2)C1 ZINC001091052684 790860965 /nfs/dbraw/zinc/86/09/65/790860965.db2.gz KCXBNLDHKIOQIB-UHFFFAOYSA-N 0 3 324.856 2.390 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)o3)[C@@H]2C1 ZINC001076336178 781219071 /nfs/dbraw/zinc/21/90/71/781219071.db2.gz NJWXGRRGQLPRRD-HRCADAONSA-N 0 3 300.402 2.248 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(F)cc3C)[C@@H]2C1 ZINC001076483725 781278416 /nfs/dbraw/zinc/27/84/16/781278416.db2.gz ONGWZBQJEVTAKU-WMLDXEAASA-N 0 3 300.377 2.304 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3ccccc3)[C@@H]2C1 ZINC001076493475 781286291 /nfs/dbraw/zinc/28/62/91/781286291.db2.gz ICNNWUNGXSTZDR-DOTOQJQBSA-N 0 3 300.402 2.174 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3csc(C)n3)[C@@H]2C1 ZINC001076542999 781305105 /nfs/dbraw/zinc/30/51/05/781305105.db2.gz PJTVHFLQZXOOCG-DZGCQCFKSA-N 0 3 305.447 2.103 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001091057693 790877956 /nfs/dbraw/zinc/87/79/56/790877956.db2.gz YAVABMHCBSMXHF-UHFFFAOYSA-N 0 3 324.856 2.489 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C)CCC1 ZINC001076924654 781425691 /nfs/dbraw/zinc/42/56/91/781425691.db2.gz XQOXUDMJYJDRPE-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076951760 781436209 /nfs/dbraw/zinc/43/62/09/781436209.db2.gz ASVGAXSXNIBCNM-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076952470 781436414 /nfs/dbraw/zinc/43/64/14/781436414.db2.gz XNDLUHOBTMYKHT-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)nnc2CC)C1 ZINC001091106765 790909471 /nfs/dbraw/zinc/90/94/71/790909471.db2.gz VIIXLCAYIFRJIL-UHFFFAOYSA-N 0 3 322.840 2.198 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccoc2CCC)C1 ZINC001073856474 790916097 /nfs/dbraw/zinc/91/60/97/790916097.db2.gz GOLSDERWMHHGCU-HNNXBMFYSA-N 0 3 318.417 2.076 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C[C@H]1C ZINC000947797159 783234206 /nfs/dbraw/zinc/23/42/06/783234206.db2.gz YUGIQMBFECJYHH-KDOFPFPSSA-N 0 3 322.412 2.293 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(CCC)nc2C)C[C@@H]1C ZINC000947853962 783247422 /nfs/dbraw/zinc/24/74/22/783247422.db2.gz YIGCYKWMWSLIOQ-DZGCQCFKSA-N 0 3 304.438 2.370 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(CCC)nc2C)C[C@@H]1C ZINC000947857016 783249217 /nfs/dbraw/zinc/24/92/17/783249217.db2.gz DZLWRTAXSMXSES-GOEBONIOSA-N 0 3 316.449 2.208 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3nccnc32)C[C@@H]1C ZINC000947857570 783250042 /nfs/dbraw/zinc/25/00/42/783250042.db2.gz NSVSIMRJPNYUCT-LSDHHAIUSA-N 0 3 322.412 2.236 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C[C@@H]1C ZINC000947895595 783261072 /nfs/dbraw/zinc/26/10/72/783261072.db2.gz PAEUSPCVINHEIK-DZGCQCFKSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C[C@H]1C ZINC000947915847 783266989 /nfs/dbraw/zinc/26/69/89/783266989.db2.gz GZJISHKOZNYWKT-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2coc(CCC)n2)C[C@@H]1C ZINC000947925069 783272146 /nfs/dbraw/zinc/27/21/46/783272146.db2.gz JNMSCOSDPQOEQU-KBPBESRZSA-N 0 3 303.406 2.233 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)C[C@H]1C ZINC000947949368 783274760 /nfs/dbraw/zinc/27/47/60/783274760.db2.gz USJFBIOYWULMDF-KGLIPLIRSA-N 0 3 312.417 2.342 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncccc2Cl)C[C@H]1C ZINC000947949459 783275559 /nfs/dbraw/zinc/27/55/59/783275559.db2.gz VVCXCDYIAXZFBC-CHWSQXEVSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001089619900 783286667 /nfs/dbraw/zinc/28/66/67/783286667.db2.gz YKLAWHJMQXKHFV-OAHLLOKOSA-N 0 3 317.408 2.464 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(COC)s2)C[C@@H]1C ZINC000948086279 783316397 /nfs/dbraw/zinc/31/63/97/783316397.db2.gz OVZIVQXTWWBZNK-NWDGAFQWSA-N 0 3 309.435 2.058 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC001073873828 790932180 /nfs/dbraw/zinc/93/21/80/790932180.db2.gz LJYPYAUCMOLFAI-AWEZNQCLSA-N 0 3 324.371 2.362 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001089675856 783344133 /nfs/dbraw/zinc/34/41/33/783344133.db2.gz RSEWTOMKFAKFHQ-ZDUSSCGKSA-N 0 3 321.421 2.480 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cnc(C)s2)CC1 ZINC000948237703 783386283 /nfs/dbraw/zinc/38/62/83/783386283.db2.gz XPKSPPFRLHLMTM-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2cnc(C)[nH]2)CC1 ZINC000948248995 783392955 /nfs/dbraw/zinc/39/29/55/783392955.db2.gz MGUMZZZOCHFYAH-CYBMUJFWSA-N 0 3 310.829 2.397 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2CCCCO2)CC1 ZINC000948291261 783413248 /nfs/dbraw/zinc/41/32/48/783413248.db2.gz WGXSVUWSGLSQEG-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CSC ZINC001089766334 783417775 /nfs/dbraw/zinc/41/77/75/783417775.db2.gz MSHGJSNEZRAERM-DGAVXFQQSA-N 0 3 314.882 2.271 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000948361777 783438758 /nfs/dbraw/zinc/43/87/58/783438758.db2.gz NNBOQTUQDRKQJI-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C)nnc2C)CC1 ZINC000948412399 783457279 /nfs/dbraw/zinc/45/72/79/783457279.db2.gz NABSRLYAKBPHMP-INIZCTEOSA-N 0 3 314.433 2.043 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccnn2CCC)CC1 ZINC000948412338 783457806 /nfs/dbraw/zinc/45/78/06/783457806.db2.gz LINBFATZECADDK-MRXNPFEDSA-N 0 3 316.449 2.243 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2cc(C3CC3)no2)CC1 ZINC000948431553 783464627 /nfs/dbraw/zinc/46/46/27/783464627.db2.gz BIZOTSMADCFCGU-OAHLLOKOSA-N 0 3 315.417 2.041 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnc3ccccc3n2)CC1 ZINC000948439260 783465557 /nfs/dbraw/zinc/46/55/57/783465557.db2.gz LGGLJEVHXRMJBL-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCCC)C[C@H]1OC ZINC001212337532 783467929 /nfs/dbraw/zinc/46/79/29/783467929.db2.gz SCVJSIHTVVXBHL-CHWSQXEVSA-N 0 3 302.846 2.381 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2cccs2)C[C@H]1OC ZINC001212344669 783483784 /nfs/dbraw/zinc/48/37/84/783483784.db2.gz HPHRCQZDVWLPEL-HZPDHXFCSA-N 0 3 322.474 2.462 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1OC ZINC001212344926 783484577 /nfs/dbraw/zinc/48/45/77/783484577.db2.gz SKSCXJWLOWXYTK-QZTJIDSGSA-N 0 3 316.445 2.401 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccccc2COC)CC1 ZINC000948574773 783508898 /nfs/dbraw/zinc/50/88/98/783508898.db2.gz KHNOUFAHUQPRLZ-QGZVFWFLSA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000948613009 783529082 /nfs/dbraw/zinc/52/90/82/783529082.db2.gz UGWBXZMEQDYHKI-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001073905116 790950831 /nfs/dbraw/zinc/95/08/31/790950831.db2.gz WAKQZTYQTVFUKX-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2nccc3occc32)CC1 ZINC000948639453 783544890 /nfs/dbraw/zinc/54/48/90/783544890.db2.gz VTJCIASYWJBCHZ-CQSZACIVSA-N 0 3 311.385 2.388 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)C2(C3CC3)CCOCC2)CC1 ZINC000948649084 783549940 /nfs/dbraw/zinc/54/99/40/783549940.db2.gz YYYITULRYWYOJI-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc3[nH]ncc32)CC1 ZINC000948665990 783557557 /nfs/dbraw/zinc/55/75/57/783557557.db2.gz XNGYTSMHDRRRLD-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C#Cc1ccc(CN2CC[C@H](Oc3ncc(OC)cn3)C2)cc1 ZINC001144581082 790954336 /nfs/dbraw/zinc/95/43/36/790954336.db2.gz NLFPBNZHUYHWJC-INIZCTEOSA-N 0 3 309.369 2.120 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnnc1C ZINC001085260286 783608211 /nfs/dbraw/zinc/60/82/11/783608211.db2.gz GKEOKNLCWUUINS-ZIAGYGMSSA-N 0 3 308.813 2.168 20 30 DEEDHN C#Cc1ccc(CN2CCC(NC(=O)c3ccccn3)CC2)cc1 ZINC001144581728 790961151 /nfs/dbraw/zinc/96/11/51/790961151.db2.gz ZUJILKJDSGYAQY-UHFFFAOYSA-N 0 3 319.408 2.457 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCCF)CC[C@@H]1C ZINC000966695326 783735445 /nfs/dbraw/zinc/73/54/45/783735445.db2.gz PPHDIUHPDRNSIQ-LSDHHAIUSA-N 0 3 307.413 2.474 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC000966850616 783781210 /nfs/dbraw/zinc/78/12/10/783781210.db2.gz WGQPXMWLFGHANC-NVXWUHKLSA-N 0 3 313.445 2.288 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC000966978535 783847294 /nfs/dbraw/zinc/84/72/94/783847294.db2.gz NSUVIXLZSWFSKV-BBRMVZONSA-N 0 3 305.397 2.166 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085615037 783889054 /nfs/dbraw/zinc/88/90/54/783889054.db2.gz AYKVPBQPEBRIKB-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001085620174 783889688 /nfs/dbraw/zinc/88/96/88/783889688.db2.gz IFKDHWAQTAINPI-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccn3nccc23)C1 ZINC000967228708 783907619 /nfs/dbraw/zinc/90/76/19/783907619.db2.gz IBMIHSZDJMNCAH-GOEBONIOSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC000967377501 783970498 /nfs/dbraw/zinc/97/04/98/783970498.db2.gz KEHZCRCYYUVELL-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC000967385498 783973755 /nfs/dbraw/zinc/97/37/55/783973755.db2.gz WEVILJNWJMRVRS-GOEBONIOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)nn1C ZINC001085719828 784004807 /nfs/dbraw/zinc/00/48/07/784004807.db2.gz FEDQAYXOAZSBJY-NSHDSACASA-N 0 3 312.364 2.080 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000967600793 784067013 /nfs/dbraw/zinc/06/70/13/784067013.db2.gz YPMUVGRQQSELPW-WFASDCNBSA-N 0 3 317.433 2.420 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001085817112 784109644 /nfs/dbraw/zinc/10/96/44/784109644.db2.gz PORMKMJUZBIUCO-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001085878263 784170705 /nfs/dbraw/zinc/17/07/05/784170705.db2.gz XMJFKZKUDOSJNZ-WMZOPIPTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CCC)c1C ZINC001085892605 784184659 /nfs/dbraw/zinc/18/46/59/784184659.db2.gz DDFHQRUSZFFBCK-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001085917243 784209648 /nfs/dbraw/zinc/20/96/48/784209648.db2.gz UWOZIBVOFDSUCM-HNNXBMFYSA-N 0 3 315.417 2.203 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000968107812 784229546 /nfs/dbraw/zinc/22/95/46/784229546.db2.gz PDAGCZTWIPBTSX-SUMWQHHRSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001085946671 784239903 /nfs/dbraw/zinc/23/99/03/784239903.db2.gz PAWFJHUSUHSGGR-IAGOWNOFSA-N 0 3 313.445 2.295 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986899 784284505 /nfs/dbraw/zinc/28/45/05/784284505.db2.gz PBPOYDBCSZSLIN-KRWDZBQOSA-N 0 3 315.461 2.471 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ccnc(OC)c2)C1 ZINC000968332961 784296968 /nfs/dbraw/zinc/29/69/68/784296968.db2.gz ZTAGDOIIVHCDIK-HOCLYGCPSA-N 0 3 317.433 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968332937 784297388 /nfs/dbraw/zinc/29/73/88/784297388.db2.gz ZIWZTJIHAAGMIF-OCCSQVGLSA-N 0 3 324.856 2.019 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001085999687 784299692 /nfs/dbraw/zinc/29/96/92/784299692.db2.gz QLXZSVGZNYCBLU-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC000968354258 784317496 /nfs/dbraw/zinc/31/74/96/784317496.db2.gz PJGKZHBWQCHVFD-KBXCAEBGSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC000968366190 784327775 /nfs/dbraw/zinc/32/77/75/784327775.db2.gz UEPKUWHBCXMBJE-CZUORRHYSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CN(CC)CC[C@@H]2C)cc1 ZINC000968390067 784349991 /nfs/dbraw/zinc/34/99/91/784349991.db2.gz FBQKJXLOWBKXLL-YOEHRIQHSA-N 0 3 300.402 2.159 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC000968394977 784354190 /nfs/dbraw/zinc/35/41/90/784354190.db2.gz HNWXGCABXSQLRA-SMDDNHRTSA-N 0 3 322.840 2.455 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2cncs2)c(F)c1 ZINC001155208426 784359681 /nfs/dbraw/zinc/35/96/81/784359681.db2.gz MHKAXCDUQDPGPL-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968409309 784368110 /nfs/dbraw/zinc/36/81/10/784368110.db2.gz LHJHJMISLUFDSN-RHSMWYFYSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC000968431103 784383138 /nfs/dbraw/zinc/38/31/38/784383138.db2.gz IZNWOZFSLAVHEC-GDBMZVCRSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc3nccnc32)C1 ZINC000968471779 784405520 /nfs/dbraw/zinc/40/55/20/784405520.db2.gz KUWRQYMMHYIIRJ-WMLDXEAASA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C3CC3)cnn2C)C1 ZINC001086104736 784411813 /nfs/dbraw/zinc/41/18/13/784411813.db2.gz OWAUAZUKGFPXMP-BJHJDKERSA-N 0 3 322.840 2.148 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC000968532677 784450000 /nfs/dbraw/zinc/45/00/00/784450000.db2.gz DAGKAOXIIQBFNL-WMLDXEAASA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CC)s2)[C@H](O)C1 ZINC001090406358 784473453 /nfs/dbraw/zinc/47/34/53/784473453.db2.gz FYJUSTFOTQKGNV-ZIAGYGMSSA-N 0 3 308.447 2.052 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001086209692 784490204 /nfs/dbraw/zinc/49/02/04/784490204.db2.gz LAPWGIZRFSEZFK-GRYCIOLGSA-N 0 3 313.239 2.180 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001086213525 784492371 /nfs/dbraw/zinc/49/23/71/784492371.db2.gz IJNRNLBESXFFMP-KLPPZKSPSA-N 0 3 309.797 2.403 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC000968753968 784572068 /nfs/dbraw/zinc/57/20/68/784572068.db2.gz UNLQRPGPECYRJD-INIZCTEOSA-N 0 3 301.434 2.331 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000968854324 784619468 /nfs/dbraw/zinc/61/94/68/784619468.db2.gz GAFSCGJYGMCCFQ-GOSISDBHSA-N 0 3 305.381 2.186 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccnn2C(C)C)C1 ZINC001086376010 784629513 /nfs/dbraw/zinc/62/95/13/784629513.db2.gz PNZZPTOCOIKBCR-JOCQHMNTSA-N 0 3 310.829 2.315 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC000968905122 784644319 /nfs/dbraw/zinc/64/43/19/784644319.db2.gz UVIFRCQIDUCHJQ-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2oc3c(cccc3F)c2C)C1 ZINC000968915653 784648222 /nfs/dbraw/zinc/64/82/22/784648222.db2.gz MJSHIKYBTSSXQC-GFCCVEGCSA-N 0 3 300.333 2.318 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC000968949508 784665539 /nfs/dbraw/zinc/66/55/39/784665539.db2.gz NQYDHNFMEGGKFY-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC000969050206 784705492 /nfs/dbraw/zinc/70/54/92/784705492.db2.gz RFTIVIQYPXFDMQ-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC000969057426 784706968 /nfs/dbraw/zinc/70/69/68/784706968.db2.gz YIYITUHPVWCAFM-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC000969091010 784722690 /nfs/dbraw/zinc/72/26/90/784722690.db2.gz SCZYAYLVDKOIKZ-ZDUSSCGKSA-N 0 3 312.364 2.439 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000969092225 784722726 /nfs/dbraw/zinc/72/27/26/784722726.db2.gz OURWSMMYHUIZKA-UPJWGTAASA-N 0 3 302.340 2.179 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001086443798 784736923 /nfs/dbraw/zinc/73/69/23/784736923.db2.gz PDTPNJMDBSLZQR-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2csc3cncn32)C1 ZINC001086495528 784791552 /nfs/dbraw/zinc/79/15/52/784791552.db2.gz WKEIDBYVOFIOPU-XYPYZODXSA-N 0 3 324.837 2.246 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007324967 784887054 /nfs/dbraw/zinc/88/70/54/784887054.db2.gz GDQSEDOSOWGJRU-CABCVRRESA-N 0 3 313.873 2.192 20 30 DEEDHN N#Cc1ccccc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005955 785000771 /nfs/dbraw/zinc/00/07/71/785000771.db2.gz DNFLDFYZRJYYMR-GOEBONIOSA-N 0 3 314.389 2.126 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001007986415 785067292 /nfs/dbraw/zinc/06/72/92/785067292.db2.gz XSOFAZQTPNFJJK-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001008170749 785125193 /nfs/dbraw/zinc/12/51/93/785125193.db2.gz PNERDAXDQXDXRV-MRXNPFEDSA-N 0 3 324.428 2.099 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(-c2ccccn2)no1 ZINC001169298964 785135956 /nfs/dbraw/zinc/13/59/56/785135956.db2.gz QBMSTVLYPMELHP-UHFFFAOYSA-N 0 3 320.780 2.199 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCc2sc(C)nc21 ZINC001156336223 785227007 /nfs/dbraw/zinc/22/70/07/785227007.db2.gz XMCRQJNUVWNRMJ-OCCSQVGLSA-N 0 3 319.474 2.331 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn3c2CCCC3)C1 ZINC001091311487 791095163 /nfs/dbraw/zinc/09/51/63/791095163.db2.gz QHLXENGSPSIYNH-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN CCOC(=O)N1CCC[C@H](NC(=N)c2ccc(Cl)cn2)CC1 ZINC001169653134 785285412 /nfs/dbraw/zinc/28/54/12/785285412.db2.gz URAVLLKEOHJVNP-LBPRGKRZSA-N 0 3 324.812 2.451 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001008727933 785288318 /nfs/dbraw/zinc/28/83/18/785288318.db2.gz NYYQCTKSMQWFFL-OAHLLOKOSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C[C@@H](CO)Nc1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001169786553 785368809 /nfs/dbraw/zinc/36/88/09/785368809.db2.gz FYARACRTSBDPKB-INIZCTEOSA-N 0 3 321.440 2.311 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001009061935 785374606 /nfs/dbraw/zinc/37/46/06/785374606.db2.gz DCWPWYBDHKJDIE-HNNXBMFYSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001009144192 785394809 /nfs/dbraw/zinc/39/48/09/785394809.db2.gz ICHCMWCZPHUJBC-CQSZACIVSA-N 0 3 302.422 2.059 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001009144192 785394820 /nfs/dbraw/zinc/39/48/20/785394820.db2.gz ICHCMWCZPHUJBC-CQSZACIVSA-N 0 3 302.422 2.059 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001091373882 791125138 /nfs/dbraw/zinc/12/51/38/791125138.db2.gz NDZYFLHISXEAKZ-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[C@@H]2C(F)F)cc1 ZINC001129375720 785655676 /nfs/dbraw/zinc/65/56/76/785655676.db2.gz PAEAWEKXWJNRKC-GJZGRUSLSA-N 0 3 321.371 2.445 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCCCF)c1 ZINC001109117804 785709044 /nfs/dbraw/zinc/70/90/44/785709044.db2.gz NTVSJSXNMOLSSH-YCPHGPKFSA-N 0 3 318.396 2.361 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001109222357 785769826 /nfs/dbraw/zinc/76/98/26/785769826.db2.gz PBGWSZRYQHLIMM-PMPSAXMXSA-N 0 3 306.450 2.347 20 30 DEEDHN CC[C@H](SC)C(=O)NCCCNCc1ccccc1C#N ZINC001156633943 785782080 /nfs/dbraw/zinc/78/20/80/785782080.db2.gz GDLVRZSHDJPLKE-HNNXBMFYSA-N 0 3 305.447 2.296 20 30 DEEDHN C=CCCOCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC ZINC001109281743 785791859 /nfs/dbraw/zinc/79/18/59/785791859.db2.gz RYZAOXTUBIFVTE-IKGGRYGDSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001090433288 786128687 /nfs/dbraw/zinc/12/86/87/786128687.db2.gz PNESHKSTWRGCNY-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001086563630 786254827 /nfs/dbraw/zinc/25/48/27/786254827.db2.gz QDIVIEGEXJMNDH-ZQDZILKHSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCCc2c[nH]nn2)CC1 ZINC001113154021 786421754 /nfs/dbraw/zinc/42/17/54/786421754.db2.gz QVPBJPDNOQWECL-OAHLLOKOSA-N 0 3 319.453 2.016 20 30 DEEDHN CC#CCCCC(=O)N1CCN(C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001113232048 786462198 /nfs/dbraw/zinc/46/21/98/786462198.db2.gz BXVGMBFGSSEFJG-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001014529938 786622223 /nfs/dbraw/zinc/62/22/23/786622223.db2.gz RWISMCKYJNHBGD-HOTGVXAUSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001113504419 786647196 /nfs/dbraw/zinc/64/71/96/786647196.db2.gz NHGMSSXYXUDNDL-CABCVRRESA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001113504419 786647203 /nfs/dbraw/zinc/64/72/03/786647203.db2.gz NHGMSSXYXUDNDL-CABCVRRESA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001014658400 786686629 /nfs/dbraw/zinc/68/66/29/786686629.db2.gz KWKQFTXBYBZNQZ-YJBOKZPZSA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001014679497 786699172 /nfs/dbraw/zinc/69/91/72/786699172.db2.gz AOPHHYNLTNDNQL-AWEZNQCLSA-N 0 3 302.422 2.161 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001014712815 786717589 /nfs/dbraw/zinc/71/75/89/786717589.db2.gz FYKHNCNXMASFEG-CYBMUJFWSA-N 0 3 318.446 2.475 20 30 DEEDHN C#CCN1CCC(C(=O)N2CCN(CCCCCC)CC2)CC1 ZINC001113682857 786758065 /nfs/dbraw/zinc/75/80/65/786758065.db2.gz VATQDAIGPNSECI-UHFFFAOYSA-N 0 3 319.493 2.056 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C[C@@H](C)OC)C2)cc1 ZINC001014981165 786839432 /nfs/dbraw/zinc/83/94/32/786839432.db2.gz PYSRJMKVQUEQJT-ZBFHGGJFSA-N 0 3 318.417 2.090 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CCc1ccns1 ZINC001157718655 786912504 /nfs/dbraw/zinc/91/25/04/786912504.db2.gz WQDRUXPAYPIFBE-UONOGXRCSA-N 0 3 320.462 2.158 20 30 DEEDHN CCOC(=O)[C@@H](C#N)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001170370139 786924782 /nfs/dbraw/zinc/92/47/82/786924782.db2.gz BOPGGMWOFWBCCF-OAHLLOKOSA-N 0 3 305.353 2.289 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001015197389 786934181 /nfs/dbraw/zinc/93/41/81/786934181.db2.gz ZKYPZQZEWAUAOS-MRXNPFEDSA-N 0 3 302.418 2.313 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001015209210 786937967 /nfs/dbraw/zinc/93/79/67/786937967.db2.gz RWSHWWVZNYBNNX-UKRRQHHQSA-N 0 3 318.392 2.458 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)C1CCC1 ZINC001130130961 787292217 /nfs/dbraw/zinc/29/22/17/787292217.db2.gz AEQMFOCQTSNCKO-LBPRGKRZSA-N 0 3 303.381 2.339 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@H]2CCCC23CC3)ccc1F ZINC001130208036 787315605 /nfs/dbraw/zinc/31/56/05/787315605.db2.gz BAIISDBYTSCNMW-OAHLLOKOSA-N 0 3 315.392 2.483 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(C(F)F)CC2)C1 ZINC001130393087 787369353 /nfs/dbraw/zinc/36/93/53/787369353.db2.gz YROLNIBNCUHROK-NSHDSACASA-N 0 3 324.375 2.047 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)C2CCC2)C1 ZINC001130399432 787387279 /nfs/dbraw/zinc/38/72/79/787387279.db2.gz VOBVJNQHXHKGJG-UKRRQHHQSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)C(C)C)C1 ZINC001130431471 787391622 /nfs/dbraw/zinc/39/16/22/787391622.db2.gz YGKQKXAJTBQIBA-KBPBESRZSA-N 0 3 304.438 2.293 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)c(C)c1)C2 ZINC001095952142 787421663 /nfs/dbraw/zinc/42/16/63/787421663.db2.gz QYCLCTFEIFTBQI-PVAVHDDUSA-N 0 3 300.377 2.493 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](C=C)CC)C[C@H]1c1cn(C)cn1 ZINC001130656322 787452724 /nfs/dbraw/zinc/45/27/24/787452724.db2.gz DXWUIHWUVCFBSF-YQQAZPJKSA-N 0 3 316.449 2.092 20 30 DEEDHN CCOC(=O)C1=C(Nc2ccc3c(C#N)c[nH]c3c2)CCNC1 ZINC001170517606 787480625 /nfs/dbraw/zinc/48/06/25/787480625.db2.gz QIFCLJHSURBHOC-UHFFFAOYSA-N 0 3 310.357 2.262 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@]23C[C@H]2CCC3)cc1F ZINC001131553370 787649218 /nfs/dbraw/zinc/64/92/18/787649218.db2.gz SZRBRMJYBMVYHY-RHSMWYFYSA-N 0 3 301.365 2.093 20 30 DEEDHN Cc1cnc(C(=O)NCCNCc2cccc(C#N)c2)cc1C ZINC001131603785 787658984 /nfs/dbraw/zinc/65/89/84/787658984.db2.gz JQMNBNJGXYEXHA-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCCOC)C[C@@H](C)O2 ZINC001131641136 787669298 /nfs/dbraw/zinc/66/92/98/787669298.db2.gz ALTXRQHCFGAZKY-SJLPKXTDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](C)O[C@@]2(CCN(CCOCC)C2)C1 ZINC001131665017 787675241 /nfs/dbraw/zinc/67/52/41/787675241.db2.gz BYGQPKNOGPTAHD-FUHWJXTLSA-N 0 3 324.465 2.071 20 30 DEEDHN C[C@H](CC(F)(F)F)C(=O)NCCNCc1ccc(C#N)s1 ZINC001131668501 787676492 /nfs/dbraw/zinc/67/64/92/787676492.db2.gz XXVFNSWKIBADFT-SECBINFHSA-N 0 3 319.352 2.414 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCCO)C1 ZINC001132078861 787918212 /nfs/dbraw/zinc/91/82/12/787918212.db2.gz OUHKVQLKUGTCTO-AAEUAGOBSA-N 0 3 302.846 2.117 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132107081 787934032 /nfs/dbraw/zinc/93/40/32/787934032.db2.gz XNFSWJSSKFLVIC-ZIAGYGMSSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132152691 787945134 /nfs/dbraw/zinc/94/51/34/787945134.db2.gz HRWMJMGUJHWQLY-ZIAGYGMSSA-N 0 3 315.889 2.438 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCNC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132214422 787969243 /nfs/dbraw/zinc/96/92/43/787969243.db2.gz HMLQGKFFIILOTA-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132234871 787975712 /nfs/dbraw/zinc/97/57/12/787975712.db2.gz GQIYNGAKRJOXOD-DLBZAZTESA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132326360 788033384 /nfs/dbraw/zinc/03/33/84/788033384.db2.gz DGQTUEMXWILOTQ-NWDGAFQWSA-N 0 3 302.340 2.321 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCn2ccnc2C)CC[C@@H]1C ZINC001132354737 788035944 /nfs/dbraw/zinc/03/59/44/788035944.db2.gz OYLSLXRKADYAFH-GOEBONIOSA-N 0 3 304.438 2.127 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccc(C)cc13)C2 ZINC001097264217 788039911 /nfs/dbraw/zinc/03/99/11/788039911.db2.gz NMMNDBJBQLWRAF-OIISXLGYSA-N 0 3 322.412 2.001 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(CC)CC)CC[C@H]1C ZINC001132368645 788044262 /nfs/dbraw/zinc/04/42/62/788044262.db2.gz PAEKODLNXGJECK-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C=CC(C)(C)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132401991 788059215 /nfs/dbraw/zinc/05/92/15/788059215.db2.gz IIAMFTYYCFWOHE-UHFFFAOYSA-N 0 3 303.406 2.063 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CCOC)CCC2)CC[C@@H]1C ZINC001132447927 788083166 /nfs/dbraw/zinc/08/31/66/788083166.db2.gz CPVJXKQVZGCOOD-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001097437683 788101785 /nfs/dbraw/zinc/10/17/85/788101785.db2.gz FAERMNCZDGZRTM-OIISXLGYSA-N 0 3 309.413 2.317 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1OC)C2 ZINC001097470261 788109027 /nfs/dbraw/zinc/10/90/27/788109027.db2.gz PLLIIXQKIOVSSF-OIISXLGYSA-N 0 3 312.413 2.362 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCCO)C2)CCCCC1 ZINC001132528779 788115494 /nfs/dbraw/zinc/11/54/94/788115494.db2.gz GBTQRHIJVQLTMQ-SJORKVTESA-N 0 3 320.477 2.312 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCCO)C2)CCCCC1 ZINC001132528777 788115738 /nfs/dbraw/zinc/11/57/38/788115738.db2.gz GBTQRHIJVQLTMQ-IAGOWNOFSA-N 0 3 320.477 2.312 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@H]2CCC2(C)C)cc1C#N ZINC001132631535 788151402 /nfs/dbraw/zinc/15/14/02/788151402.db2.gz GLIYXRGCMUSFSG-HNNXBMFYSA-N 0 3 315.417 2.209 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OCCc3ccccc31)C2 ZINC001097624584 788152063 /nfs/dbraw/zinc/15/20/63/788152063.db2.gz XKAZNIGMTDOJTG-OQIJWPOYSA-N 0 3 324.424 2.045 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNCc2nccn2C)C1 ZINC001132859539 788209958 /nfs/dbraw/zinc/20/99/58/788209958.db2.gz FEPJDXQZDCNSDY-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1Cl)C2 ZINC001097914188 788270553 /nfs/dbraw/zinc/27/05/53/788270553.db2.gz BZRRNVXRCYYYEU-DFBGVHRSSA-N 0 3 303.793 2.093 20 30 DEEDHN CO[C@@H]1CCC[C@@H](C(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001133082800 788275699 /nfs/dbraw/zinc/27/56/99/788275699.db2.gz NMIZYDYTHNRJIQ-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2Cc3ccccc32)s1 ZINC001133125719 788289810 /nfs/dbraw/zinc/28/98/10/788289810.db2.gz WHDXIGWBVDKOHH-INIZCTEOSA-N 0 3 311.410 2.165 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccsc1C)C2 ZINC001097982353 788309134 /nfs/dbraw/zinc/30/91/34/788309134.db2.gz RBKSLYDKDBDWKK-OAGGEKHMSA-N 0 3 302.443 2.344 20 30 DEEDHN C[C@@H](CC(F)(F)F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001133264864 788339475 /nfs/dbraw/zinc/33/94/75/788339475.db2.gz HAMPSVTZPZBDAV-NSHDSACASA-N 0 3 313.323 2.353 20 30 DEEDHN C=CCCC1(C(=O)NCCNC[C@H](O)c2ccccc2F)CC1 ZINC001133378673 788392494 /nfs/dbraw/zinc/39/24/94/788392494.db2.gz KDRDWRAODXROMY-INIZCTEOSA-N 0 3 320.408 2.311 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001133379352 788393302 /nfs/dbraw/zinc/39/33/02/788393302.db2.gz YGCDDENCFMVUDS-SFHVURJKSA-N 0 3 315.417 2.375 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC001086705736 788398061 /nfs/dbraw/zinc/39/80/61/788398061.db2.gz MIKOUQRLNXNUFK-UONOGXRCSA-N 0 3 322.840 2.334 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)C#N ZINC001133392955 788401253 /nfs/dbraw/zinc/40/12/53/788401253.db2.gz VDXMRIYTVJTOBE-ZDUSSCGKSA-N 0 3 303.793 2.051 20 30 DEEDHN Cc1ccoc1CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001133577731 788508369 /nfs/dbraw/zinc/50/83/69/788508369.db2.gz ODOQTPNSGJHZPK-UHFFFAOYSA-N 0 3 315.348 2.047 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001134018930 788714867 /nfs/dbraw/zinc/71/48/67/788714867.db2.gz QPDZAROIBSPIRN-UONOGXRCSA-N 0 3 323.437 2.339 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134014596 788720604 /nfs/dbraw/zinc/72/06/04/788720604.db2.gz RIMLMEKVGKVAJX-UONOGXRCSA-N 0 3 323.437 2.339 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1)NCc1nccs1 ZINC001134014842 788721031 /nfs/dbraw/zinc/72/10/31/788721031.db2.gz UUGAGHRVZPJMIC-GHMZBOCLSA-N 0 3 317.418 2.030 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001134054709 788731833 /nfs/dbraw/zinc/73/18/33/788731833.db2.gz PWVWCTBMXCWOKM-GHJWDPDVSA-N 0 3 324.371 2.323 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134342113 788868376 /nfs/dbraw/zinc/86/83/76/788868376.db2.gz YWHCQASFHMIHDA-OLZOCXBDSA-N 0 3 315.255 2.427 20 30 DEEDHN C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134408489 788916420 /nfs/dbraw/zinc/91/64/20/788916420.db2.gz MWGLHBOQJXZOPW-NWDGAFQWSA-N 0 3 301.394 2.021 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135180179 789233330 /nfs/dbraw/zinc/23/33/30/789233330.db2.gz FCBXWZMVBADZFQ-KBPBESRZSA-N 0 3 306.454 2.395 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1CC ZINC001135229543 789259019 /nfs/dbraw/zinc/25/90/19/789259019.db2.gz BETZDNOJPAEZJP-KGLIPLIRSA-N 0 3 306.454 2.488 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccnc(OC)n1 ZINC001135230340 789260281 /nfs/dbraw/zinc/26/02/81/789260281.db2.gz LWYQUUULEZFNMS-CHWSQXEVSA-N 0 3 320.437 2.070 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2cocc2C)C1 ZINC001070420240 789318913 /nfs/dbraw/zinc/31/89/13/789318913.db2.gz ULGBJNFBNGDYGM-CYBMUJFWSA-N 0 3 314.389 2.216 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCCOCC1 ZINC001170821120 789387872 /nfs/dbraw/zinc/38/78/72/789387872.db2.gz KQMWUPVFNBDYBG-GDBMZVCRSA-N 0 3 305.422 2.091 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001135561353 789398644 /nfs/dbraw/zinc/39/86/44/789398644.db2.gz RKZUGXHIIBKMOO-KGLIPLIRSA-N 0 3 306.454 2.395 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001070769097 789452216 /nfs/dbraw/zinc/45/22/16/789452216.db2.gz XVFRREPDLOCTPN-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070865210 789471925 /nfs/dbraw/zinc/47/19/25/789471925.db2.gz MIKKPOYADCKWTF-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071052006 789507734 /nfs/dbraw/zinc/50/77/34/789507734.db2.gz YYTAECAHBFAAQQ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)c1ccccc1)C[C@@H](C)O2 ZINC001071127981 789541882 /nfs/dbraw/zinc/54/18/82/789541882.db2.gz WXQGGTNMGLIQOA-APWZRJJASA-N 0 3 312.413 2.015 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001071137618 789551377 /nfs/dbraw/zinc/55/13/77/789551377.db2.gz HWWWXOHDSRCPKK-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001071138091 789552391 /nfs/dbraw/zinc/55/23/91/789552391.db2.gz WOENTUQRAURVOS-BZUAXINKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CC)CC1)C[C@H](C)O2 ZINC001071206693 789591812 /nfs/dbraw/zinc/59/18/12/789591812.db2.gz NVAQIFRGLMEPEG-MAUKXSAKSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(CC)CC1)C[C@@H](C)O2 ZINC001071206694 789592556 /nfs/dbraw/zinc/59/25/56/789592556.db2.gz NVAQIFRGLMEPEG-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2[nH]nc(CC)c2Cl)CC[C@H]1C ZINC001071576763 789789568 /nfs/dbraw/zinc/78/95/68/789789568.db2.gz PBHKEQKXKWGOPQ-GHMZBOCLSA-N 0 3 310.829 2.394 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)CC[C@@H]1C ZINC001071601510 789804862 /nfs/dbraw/zinc/80/48/62/789804862.db2.gz AUJHKKAFVJQQAR-WFASDCNBSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)nc2)CC[C@H]1C ZINC001071662168 789848016 /nfs/dbraw/zinc/84/80/16/789848016.db2.gz BPLYDFUGNRMWSO-HIFRSBDPSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nncc3ccccc32)CC[C@H]1C ZINC001071678243 789859693 /nfs/dbraw/zinc/85/96/93/789859693.db2.gz ZWUPRTLULBXMRI-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccn(C(C)C)n2)CC[C@H]1C ZINC001071698879 789873440 /nfs/dbraw/zinc/87/34/40/789873440.db2.gz XXNSZWTVDFSGIB-GDBMZVCRSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)CC[C@H]1C ZINC001071717603 789885063 /nfs/dbraw/zinc/88/50/63/789885063.db2.gz GSHKBBIECOACKL-PBHICJAKSA-N 0 3 314.429 2.319 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)nn2CC)CC[C@@H]1C ZINC001071844686 789939915 /nfs/dbraw/zinc/93/99/15/789939915.db2.gz QQFUPTQOSFTPOE-LSDHHAIUSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2csc3cncn32)CC[C@@H]1C ZINC001071858085 789946089 /nfs/dbraw/zinc/94/60/89/789946089.db2.gz NRZIJPQAWSDZSH-QWHCGFSZSA-N 0 3 316.430 2.002 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(CC)nc2C)CC[C@@H]1C ZINC001071857935 789946164 /nfs/dbraw/zinc/94/61/64/789946164.db2.gz MYOUPYMNYSATAB-DZGCQCFKSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2coc(C3CC3)n2)CC[C@@H]1C ZINC001071879208 789955432 /nfs/dbraw/zinc/95/54/32/789955432.db2.gz AFYZAHFCWMZITB-JSGCOSHPSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cncc(Cl)c2)CC[C@@H]1C ZINC001071896517 789963343 /nfs/dbraw/zinc/96/33/43/789963343.db2.gz GMWKCLDFJFOTEC-WFASDCNBSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(CCC)nc2C)CC[C@@H]1C ZINC001071934816 789978065 /nfs/dbraw/zinc/97/80/65/789978065.db2.gz SNOUWAWLQGHHIK-GOEBONIOSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cn2cc3ccccc3n2)CC[C@H]1C ZINC001071990610 789999999 /nfs/dbraw/zinc/99/99/99/789999999.db2.gz BDZXEOOSDNNCJN-WBVHZDCISA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cn2cc3ccccc3n2)CC[C@H]1C ZINC001071990605 790001155 /nfs/dbraw/zinc/00/11/55/790001155.db2.gz BDZXEOOSDNNCJN-NVXWUHKLSA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@@H]1C ZINC001072028564 790019512 /nfs/dbraw/zinc/01/95/12/790019512.db2.gz APEMBKYMFFESAO-DOTOQJQBSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccc(OC)c2)CC[C@H]1C ZINC001072044463 790029711 /nfs/dbraw/zinc/02/97/11/790029711.db2.gz MHOOHOKPVLMUTQ-ZBFHGGJFSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)CC[C@@H]1C ZINC001072096135 790051327 /nfs/dbraw/zinc/05/13/27/790051327.db2.gz UWSFZQPOWBDREW-GXTWGEPZSA-N 0 3 303.406 2.173 20 30 DEEDHN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNCc1nccs1 ZINC001072285433 790105940 /nfs/dbraw/zinc/10/59/40/790105940.db2.gz VKDVBJYZIPYOEE-DZGCQCFKSA-N 0 3 317.458 2.131 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3csc([C@@H](C)OC)n3)C2)C1 ZINC001072738467 790234835 /nfs/dbraw/zinc/23/48/35/790234835.db2.gz VLEVULGQNFGNOS-GFCCVEGCSA-N 0 3 321.446 2.184 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3CCC[C@H](OC)C3)C2)C1 ZINC001072805992 790252800 /nfs/dbraw/zinc/25/28/00/790252800.db2.gz XAECLPZHHDYRAC-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ncoc2C2CC2)s1 ZINC001146677780 791338555 /nfs/dbraw/zinc/33/85/55/791338555.db2.gz DZGVRPBMESTEGT-UHFFFAOYSA-N 0 3 316.386 2.005 20 30 DEEDHN C=CC[C@H](C)NC(=O)Cc1csc(SCCN(C)C)n1 ZINC001146832764 791385617 /nfs/dbraw/zinc/38/56/17/791385617.db2.gz HRQKKSVBYWQVBA-NSHDSACASA-N 0 3 313.492 2.420 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001075031669 791436702 /nfs/dbraw/zinc/43/67/02/791436702.db2.gz JPFUMWCYGNLBKY-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3c(cccc3C)O1)C2 ZINC001098226413 791594224 /nfs/dbraw/zinc/59/42/24/791594224.db2.gz HGAWQVJVTXTDJR-VYCZESIESA-N 0 3 324.424 2.043 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cn1)C2 ZINC001098253298 791596194 /nfs/dbraw/zinc/59/61/94/791596194.db2.gz AOWXWLIFMGKBFR-YUELXQCFSA-N 0 3 303.793 2.093 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc3ccccc31)C2 ZINC001098436688 791632885 /nfs/dbraw/zinc/63/28/85/791632885.db2.gz PJONIFMXXASQQL-LMMKCTJWSA-N 0 3 321.424 2.386 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)SC)C[C@H](C)O2 ZINC001098563463 791652321 /nfs/dbraw/zinc/65/23/21/791652321.db2.gz YBPWKKPJMFKJKG-UONOGXRCSA-N 0 3 312.479 2.006 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC13CC3)C[C@@H](C)O2 ZINC001098642536 791667622 /nfs/dbraw/zinc/66/76/22/791667622.db2.gz FWQAUMHIRMTAOW-HUUCEWRRSA-N 0 3 304.434 2.054 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)n1cccc1 ZINC001148389348 791739269 /nfs/dbraw/zinc/73/92/69/791739269.db2.gz IRQOKZZCJYRQPB-HNNXBMFYSA-N 0 3 310.401 2.217 20 30 DEEDHN CO[C@@H](C(=O)NCCNCc1ccc(C#N)cc1)c1ccccc1 ZINC001148438218 791744878 /nfs/dbraw/zinc/74/48/78/791744878.db2.gz ZSIYYUAYPCSMES-GOSISDBHSA-N 0 3 323.396 2.152 20 30 DEEDHN CCCCCCCCCCC(=O)NCCNCC(=O)N(C)C ZINC001148751792 791800239 /nfs/dbraw/zinc/80/02/39/791800239.db2.gz RHGYFJZARIINRU-UHFFFAOYSA-N 0 3 313.486 2.311 20 30 DEEDHN C=CCNC(=O)CNCCNC(=O)CCCCCCCCC ZINC001148821026 791808516 /nfs/dbraw/zinc/80/85/16/791808516.db2.gz RJEFRPPWPOKKPK-UHFFFAOYSA-N 0 3 311.470 2.135 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(C)no3)C2)CC1 ZINC001086902645 791842650 /nfs/dbraw/zinc/84/26/50/791842650.db2.gz KVENTNZGUCUNGX-OAHLLOKOSA-N 0 3 315.417 2.323 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccn(C)c3)C2)CC1 ZINC001086916974 791849734 /nfs/dbraw/zinc/84/97/34/791849734.db2.gz WRQBSOFAAONKGH-MRXNPFEDSA-N 0 3 313.445 2.365 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3CC(OCC)C3)C2)CC1 ZINC001086921028 791852116 /nfs/dbraw/zinc/85/21/16/791852116.db2.gz FLKGUFDFEKEHKS-GTPINHCMSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3conc3C)C2)CC1 ZINC001086939864 791857154 /nfs/dbraw/zinc/85/71/54/791857154.db2.gz BFJMDHYPALRUQJ-CQSZACIVSA-N 0 3 315.417 2.323 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)C(=O)N[O-] ZINC001171361092 791870537 /nfs/dbraw/zinc/87/05/37/791870537.db2.gz SRUALLRSHDDUSZ-FMSQNYNMSA-N 0 3 312.360 2.332 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(CC)o3)C[C@]2(C)C1 ZINC001091792568 791884028 /nfs/dbraw/zinc/88/40/28/791884028.db2.gz FZLFXFRKQDQQPD-KDOFPFPSSA-N 0 3 300.402 2.259 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(C(F)F)CCCC3)C[C@]2(C)C1 ZINC001091948562 791910725 /nfs/dbraw/zinc/91/07/25/791910725.db2.gz BDTBSCMNJWTLKD-CJNGLKHVSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)C[C@]2(C)C1 ZINC001092216729 791947585 /nfs/dbraw/zinc/94/75/85/791947585.db2.gz KRIBIORXAXFNAR-DOMZBBRYSA-N 0 3 316.367 2.379 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cnc(C4CC4)s3)C[C@]2(C)C1 ZINC001092216940 791948072 /nfs/dbraw/zinc/94/80/72/791948072.db2.gz UQBYYMGMEJXHPY-DYVFJYSZSA-N 0 3 315.442 2.048 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c(Cl)cnn2CC)C1 ZINC001098854605 791963308 /nfs/dbraw/zinc/96/33/08/791963308.db2.gz RWLWINYNTHQGHT-LRDDRELGSA-N 0 3 322.840 2.327 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(Cl)s3)C[C@]2(C)C1 ZINC001092252229 791964868 /nfs/dbraw/zinc/96/48/68/791964868.db2.gz PURPTVBSBUAEPL-ABAIWWIYSA-N 0 3 308.834 2.429 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)n3c(C)ccc3C)C[C@]2(C)C1 ZINC001092301747 791973544 /nfs/dbraw/zinc/97/35/44/791973544.db2.gz MDLSFOUWLDUILK-LMMKCTJWSA-N 0 3 313.445 2.079 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(F)s3)C[C@]2(C)C1 ZINC001092315850 791975847 /nfs/dbraw/zinc/97/58/47/791975847.db2.gz NCOPPPNQPCCFMQ-WBMJQRKESA-N 0 3 306.406 2.304 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cn3ccc4ccccc43)C[C@]2(C)C1 ZINC001092285998 791979989 /nfs/dbraw/zinc/97/99/89/791979989.db2.gz FWGQNCNPZTXASH-XLIONFOSSA-N 0 3 321.424 2.055 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc3cnccc3c2)C1 ZINC001098943770 791992319 /nfs/dbraw/zinc/99/23/19/791992319.db2.gz YGMLWVCQXJHQJH-LPHOPBHVSA-N 0 3 322.412 2.400 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(CC#CC)C3)cc1 ZINC001098969023 792008504 /nfs/dbraw/zinc/00/85/04/792008504.db2.gz AZHCRCAMZXLIPU-ICSRJNTNSA-N 0 3 306.409 2.276 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001098987656 792020196 /nfs/dbraw/zinc/02/01/96/792020196.db2.gz FNRHKOCRNDTXQS-OAHLLOKOSA-N 0 3 305.422 2.318 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001099043824 792055784 /nfs/dbraw/zinc/05/57/84/792055784.db2.gz UESJTUXVILEMRD-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2nc(CC)oc2C)C1 ZINC001099074285 792078822 /nfs/dbraw/zinc/07/88/22/792078822.db2.gz UKADSUDXNRNYIQ-KSSFIOAISA-N 0 3 315.417 2.153 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3ccccc3nc2C)[C@H](C)C1 ZINC001092651992 792097452 /nfs/dbraw/zinc/09/74/52/792097452.db2.gz RQFSHYCQDIPGQH-RHSMWYFYSA-N 0 3 321.424 2.474 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(C)s2)C1 ZINC001099173619 792125815 /nfs/dbraw/zinc/12/58/15/792125815.db2.gz CQWMRKKEYKQDHG-YOEHRIQHSA-N 0 3 302.443 2.203 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001099182031 792128478 /nfs/dbraw/zinc/12/84/78/792128478.db2.gz WOHJVKPGSKYZHD-BQFCYCMXSA-N 0 3 316.449 2.218 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C(F)(F)F ZINC001099296214 792163760 /nfs/dbraw/zinc/16/37/60/792163760.db2.gz NKIHJOJZSJIPLG-NXEZZACHSA-N 0 3 319.352 2.230 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC001092998628 792195998 /nfs/dbraw/zinc/19/59/98/792195998.db2.gz IVEAZOMKADGOAB-DGCLKSJQSA-N 0 3 308.784 2.410 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CC2(C)CC2)CC2(CCOCC2)C1 ZINC001099585061 792253401 /nfs/dbraw/zinc/25/34/01/792253401.db2.gz JXSSTCQTHWOUBU-HNNXBMFYSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001093375783 792348196 /nfs/dbraw/zinc/34/81/96/792348196.db2.gz CDTFVMPSPXVEJV-HOTGVXAUSA-N 0 3 306.425 2.461 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C[C@H]1O ZINC001099944864 792413070 /nfs/dbraw/zinc/41/30/70/792413070.db2.gz RYBGFBYHJHKQLA-DLBZAZTESA-N 0 3 316.445 2.259 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099975861 792425508 /nfs/dbraw/zinc/42/55/08/792425508.db2.gz IBRPUNGICBPWKW-IRXDYDNUSA-N 0 3 302.418 2.094 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCC2CCCC2)[C@@H](O)C1 ZINC001100129755 792480925 /nfs/dbraw/zinc/48/09/25/792480925.db2.gz RMBXWBWCTGDNBH-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCC2CCCCCC2)[C@@H](O)C1 ZINC001099926617 792483205 /nfs/dbraw/zinc/48/32/05/792483205.db2.gz PTONWLZMKMTBOD-ROUUACIJSA-N 0 3 320.477 2.312 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(COC)CCCC2)C1 ZINC001100387056 792622612 /nfs/dbraw/zinc/62/26/12/792622612.db2.gz KGVPMSSJFQUHJB-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc4cc[nH]c4n3)CCC[C@@H]12 ZINC001094440489 792924158 /nfs/dbraw/zinc/92/41/58/792924158.db2.gz QBPOQFAWQGSJAF-VQIMIIECSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc4c[nH]ccc-4n3)CCC[C@@H]12 ZINC001094445587 792927132 /nfs/dbraw/zinc/92/71/32/792927132.db2.gz IRMIXAUVVLIOMS-IEBWSBKVSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc4n[nH]cc43)CCC[C@@H]12 ZINC001094486342 792935846 /nfs/dbraw/zinc/93/58/46/792935846.db2.gz ATYUZYBYKWYWPO-IEBWSBKVSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C4CC4)on3)CCC[C@@H]12 ZINC001094482719 792949218 /nfs/dbraw/zinc/94/92/18/792949218.db2.gz FWTYFJIJVFGPJH-SJLPKXTDSA-N 0 3 313.401 2.160 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3conc3CC)CCC[C@@H]12 ZINC001094505461 792951210 /nfs/dbraw/zinc/95/12/10/792951210.db2.gz MYEFKBWYDSHSEU-SJLPKXTDSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001101058682 792994639 /nfs/dbraw/zinc/99/46/39/792994639.db2.gz RBNDGTTWUWSZSX-IYXRBSQSSA-N 0 3 323.462 2.027 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)CCC)c2)C1 ZINC001101089274 793011552 /nfs/dbraw/zinc/01/15/52/793011552.db2.gz QUSYVNRXPBAKSR-INIZCTEOSA-N 0 3 303.406 2.137 20 30 DEEDHN CCC(=CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1)CC ZINC001101195293 793060961 /nfs/dbraw/zinc/06/09/61/793060961.db2.gz KSYNYVNPRMQKRI-MJGOQNOKSA-N 0 3 318.461 2.163 20 30 DEEDHN CC(C)C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)C(=O)N[O-] ZINC001171471378 793106328 /nfs/dbraw/zinc/10/63/28/793106328.db2.gz HGMXAOVNWOUFDR-DOMZBBRYSA-N 0 3 312.360 2.332 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1C ZINC001101805615 793386662 /nfs/dbraw/zinc/38/66/62/793386662.db2.gz WRBRODOTXXIOTK-IUODEOHRSA-N 0 3 305.422 2.442 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)c2cscc2C)[C@H](C)C1 ZINC001101850608 793409407 /nfs/dbraw/zinc/40/94/07/793409407.db2.gz JMNVGPQJCHRJDX-UKRRQHHQSA-N 0 3 320.458 2.004 20 30 DEEDHN CCO[C@@H]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172990730 793552104 /nfs/dbraw/zinc/55/21/04/793552104.db2.gz QYRZJXUAAUXUBX-SOUVJXGZSA-N 0 3 323.437 2.389 20 30 DEEDHN CC(C)N(C)CC(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001095040622 793606525 /nfs/dbraw/zinc/60/65/25/793606525.db2.gz XJEDRSMXCRKJBG-CYBMUJFWSA-N 0 3 318.396 2.050 20 30 DEEDHN CCCN(C)CC(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001095052360 793627062 /nfs/dbraw/zinc/62/70/62/793627062.db2.gz WNBKLXZQFGMSKU-CYBMUJFWSA-N 0 3 318.396 2.052 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)nc2C)C1 ZINC001102789560 793757164 /nfs/dbraw/zinc/75/71/64/793757164.db2.gz HSGBSLQHAFHSGQ-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN N=C(N[C@@H]1CCC[C@H](n2ncnn2)C1)c1ccc2ccccc2n1 ZINC001173758548 793841198 /nfs/dbraw/zinc/84/11/98/793841198.db2.gz QSMBWHQTAHTNMX-KGLIPLIRSA-N 0 3 321.388 2.111 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1C ZINC001103897610 794289488 /nfs/dbraw/zinc/28/94/88/794289488.db2.gz OGTRUDKWDXYREE-UKRRQHHQSA-N 0 3 324.856 2.100 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2snnc2C)C1 ZINC001103978217 794335251 /nfs/dbraw/zinc/33/52/51/794335251.db2.gz ZREGOTRCQNIBOE-TZMCWYRMSA-N 0 3 322.478 2.387 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1n[nH]c2c1CCCCC2 ZINC001176147718 794357577 /nfs/dbraw/zinc/35/75/77/794357577.db2.gz OIUAMOJMUYCODI-UHFFFAOYSA-N 0 3 310.829 2.141 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cccn1CC ZINC001176194867 794372202 /nfs/dbraw/zinc/37/22/02/794372202.db2.gz SYZOUTDUPMQHPH-UHFFFAOYSA-N 0 3 314.227 2.126 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C(C)C)C1 ZINC001111844725 794499273 /nfs/dbraw/zinc/49/92/73/794499273.db2.gz NZLCDROAJUWASU-ZOBUZTSGSA-N 0 3 312.429 2.154 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCc2ccccn2)C1 ZINC001111949846 794532050 /nfs/dbraw/zinc/53/20/50/794532050.db2.gz WRBWNVSSXKLKNO-LPHOPBHVSA-N 0 3 311.429 2.008 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C[C@H](C)SC)C[C@H]1C(F)(F)F ZINC001112084944 794556749 /nfs/dbraw/zinc/55/67/49/794556749.db2.gz UMXCTMFCDAGZDO-QJPTWQEYSA-N 0 3 322.396 2.130 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@H](C)COC)C1 ZINC001112157130 794564703 /nfs/dbraw/zinc/56/47/03/794564703.db2.gz SKSMMXHCQGVHNX-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c(CC)o1 ZINC001115113516 794681827 /nfs/dbraw/zinc/68/18/27/794681827.db2.gz LXHAPGCMAAQSPE-HALDLXJZSA-N 0 3 318.417 2.013 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccncc1 ZINC001178034072 794817305 /nfs/dbraw/zinc/81/73/05/794817305.db2.gz JXKZPADQKSEZDY-LPHOPBHVSA-N 0 3 319.408 2.326 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@]2(F)CCOC2)CCCCC1 ZINC001115691414 794880552 /nfs/dbraw/zinc/88/05/52/794880552.db2.gz XEBJVUHLCYKOMH-OAHLLOKOSA-N 0 3 318.820 2.276 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)c1cnc[n-]c1=O ZINC001178786922 794994035 /nfs/dbraw/zinc/99/40/35/794994035.db2.gz XVWLWRTWXXJDIM-AWEZNQCLSA-N 0 3 320.437 2.417 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001178806118 795000156 /nfs/dbraw/zinc/00/01/56/795000156.db2.gz UNSVRXAQIUYVOX-BBRMVZONSA-N 0 3 302.422 2.220 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccco1 ZINC001179752752 795172984 /nfs/dbraw/zinc/17/29/84/795172984.db2.gz ZIKXVOCQMKHEHK-LPHOPBHVSA-N 0 3 322.408 2.453 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001180254233 795265768 /nfs/dbraw/zinc/26/57/68/795265768.db2.gz ZJIVSJYPLGAEKL-KBPBESRZSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001180254190 795266115 /nfs/dbraw/zinc/26/61/15/795266115.db2.gz XSEHUVYLSDNPOZ-YOEHRIQHSA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCN(C)c1nnnn1C1CCN(Cc2ccccc2)CC1 ZINC001119726407 795345902 /nfs/dbraw/zinc/34/59/02/795345902.db2.gz LWCFAVHBEJMKLL-UHFFFAOYSA-N 0 3 312.421 2.132 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC001119834598 795361686 /nfs/dbraw/zinc/36/16/86/795361686.db2.gz ALKZIZAHQAXZGO-IUODEOHRSA-N 0 3 317.364 2.006 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2scnc2C)C1 ZINC001181475399 795483999 /nfs/dbraw/zinc/48/39/99/795483999.db2.gz BZRVDOHTBAGJQZ-ZIAGYGMSSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC[C@@H](O)c2cc(F)ccc2F)C1 ZINC001181543341 795491847 /nfs/dbraw/zinc/49/18/47/795491847.db2.gz OKKUOAFTUGDWSW-CZUORRHYSA-N 0 3 324.371 2.155 20 30 DEEDHN C=C(C)CCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC001120594448 795494809 /nfs/dbraw/zinc/49/48/09/795494809.db2.gz OQZBWEBVOIHAEJ-UHFFFAOYSA-N 0 3 317.389 2.451 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001182215540 795627598 /nfs/dbraw/zinc/62/75/98/795627598.db2.gz WBWFJFTZXSIOBK-QAPCUYQASA-N 0 3 320.408 2.152 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC001122134244 795729493 /nfs/dbraw/zinc/72/94/93/795729493.db2.gz NKSWRHWLPPCNPM-HOTGVXAUSA-N 0 3 324.465 2.152 20 30 DEEDHN C[C@@H](Sc1ccc(F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC001122451747 795759792 /nfs/dbraw/zinc/75/97/92/795759792.db2.gz CPAHWRJOLRYQLN-RNCFNFMXSA-N 0 3 306.362 2.294 20 30 DEEDHN C#CCSCC(=O)C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC001122979994 795834677 /nfs/dbraw/zinc/83/46/77/795834677.db2.gz HOMYCAGBSAZHPC-HUUCEWRRSA-N 0 3 314.410 2.329 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001183326205 795856675 /nfs/dbraw/zinc/85/66/75/795856675.db2.gz ONKOPXJOJLZFDN-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183958817 795967716 /nfs/dbraw/zinc/96/77/16/795967716.db2.gz DIBVJYUJXTWNKF-LSDHHAIUSA-N 0 3 300.402 2.103 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC001184077013 795981166 /nfs/dbraw/zinc/98/11/66/795981166.db2.gz FWHJSVGLYAKGPT-GOEBONIOSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001184814973 796132145 /nfs/dbraw/zinc/13/21/45/796132145.db2.gz GXKJSVRBKXVMPP-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001184890748 796140181 /nfs/dbraw/zinc/14/01/81/796140181.db2.gz XYHNVFVOQLWYRV-QGZVFWFLSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2cncs2)C1 ZINC001184900330 796142204 /nfs/dbraw/zinc/14/22/04/796142204.db2.gz QHKOUOKPNCAYDP-CQSZACIVSA-N 0 3 305.447 2.417 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001185296850 796231895 /nfs/dbraw/zinc/23/18/95/796231895.db2.gz UTIGQZZFIBNELT-OAHLLOKOSA-N 0 3 303.406 2.137 20 30 DEEDHN C=C(C)COc1ccccc1CN(C)CCN1CCN(C)CC1 ZINC001138665306 796254381 /nfs/dbraw/zinc/25/43/81/796254381.db2.gz MFIGDQCZCMROQE-UHFFFAOYSA-N 0 3 317.477 2.321 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202878584 796302647 /nfs/dbraw/zinc/30/26/47/796302647.db2.gz UNKLLPWBMRGDHY-CABCVRRESA-N 0 3 317.458 2.320 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCCN(C(=O)CCC)C2)nn1 ZINC001185843099 796326350 /nfs/dbraw/zinc/32/63/50/796326350.db2.gz PRVNOJUILXSBIA-MRXNPFEDSA-N 0 3 319.453 2.298 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC2(O)CCC2)C12CCC2 ZINC001202899700 796331947 /nfs/dbraw/zinc/33/19/47/796331947.db2.gz PQHYDWMBBGYYKN-CHWSQXEVSA-N 0 3 312.841 2.061 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H](NC/C=C\Cl)C2)cc1 ZINC001186164429 796364740 /nfs/dbraw/zinc/36/47/40/796364740.db2.gz WUPHBKCHBCPGNK-ACRUDFBXSA-N 0 3 318.804 2.255 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)C1 ZINC001186555348 796415709 /nfs/dbraw/zinc/41/57/09/796415709.db2.gz OJEKFPSFJDFSGA-LLVKDONJSA-N 0 3 312.200 2.216 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001187184800 796496267 /nfs/dbraw/zinc/49/62/67/796496267.db2.gz QKLILUOTLSTWHF-MRXNPFEDSA-N 0 3 302.393 2.317 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC[C@@H](NC[C@H](F)CC)C1 ZINC001187413370 796532828 /nfs/dbraw/zinc/53/28/28/796532828.db2.gz UMTHRZLRZRACOZ-IAGOWNOFSA-N 0 3 302.393 2.149 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(CO)o1)C2 ZINC001140680225 796554975 /nfs/dbraw/zinc/55/49/75/796554975.db2.gz TWWWGPCWUMYURN-QZTJIDSGSA-N 0 3 321.417 2.346 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cc(C)[nH]n1)C2 ZINC001203074847 796590848 /nfs/dbraw/zinc/59/08/48/796590848.db2.gz WPPLXYISHIEMKQ-IRXDYDNUSA-N 0 3 305.422 2.292 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001187960867 796608673 /nfs/dbraw/zinc/60/86/73/796608673.db2.gz MRWSGKMTWNJQLN-TZMCWYRMSA-N 0 3 306.356 2.282 20 30 DEEDHN CCCCC[C@@H](CC)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001188024294 796618798 /nfs/dbraw/zinc/61/87/98/796618798.db2.gz BXZPGMKMGJFYBG-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OC(F)F)cc1 ZINC000838624260 796671613 /nfs/dbraw/zinc/67/16/13/796671613.db2.gz OQWMTBPFAGCWCC-UHFFFAOYSA-N 0 3 311.332 2.365 20 30 DEEDHN CSCCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001188793349 796715685 /nfs/dbraw/zinc/71/56/85/796715685.db2.gz QSKOHILOASYDGO-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@H](C=C)CC)[C@@H]2C1 ZINC001188908816 796741688 /nfs/dbraw/zinc/74/16/88/796741688.db2.gz JYEDWLSLIVAEPT-IXDOHACOSA-N 0 3 306.450 2.324 20 30 DEEDHN N#Cc1ccc2c(CN3CCC4(CC(=O)CO4)CC3)c[nH]c2c1 ZINC001142915755 796784660 /nfs/dbraw/zinc/78/46/60/796784660.db2.gz GIEBIIYIKXETTI-UHFFFAOYSA-N 0 3 309.369 2.364 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc4nccn4c3)C2)C1=O ZINC001143020807 796794906 /nfs/dbraw/zinc/79/49/06/796794906.db2.gz BWVPILAWZOZCHE-LJQANCHMSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)C[C@@H](O)c2ccc(F)cc2)C1 ZINC001189319182 796807366 /nfs/dbraw/zinc/80/73/66/796807366.db2.gz UZAJSFYENORSAL-IAGOWNOFSA-N 0 3 320.408 2.358 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001189363616 796820157 /nfs/dbraw/zinc/82/01/57/796820157.db2.gz OBGHFIHWMSFDHO-MRXNPFEDSA-N 0 3 320.408 2.369 20 30 DEEDHN Cc1cccc(OCCN(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c1 ZINC001189401575 796823119 /nfs/dbraw/zinc/82/31/19/796823119.db2.gz YVNJHJIWHNNFGI-HOTGVXAUSA-N 0 3 315.417 2.066 20 30 DEEDHN CC(C)(C(=O)NCCNCc1cccc(C#N)c1)C(C)(F)F ZINC001149208379 796831225 /nfs/dbraw/zinc/83/12/25/796831225.db2.gz CGZIIMIQMBYUTB-UHFFFAOYSA-N 0 3 309.360 2.445 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(CC2CC(F)(F)C2)CCCO1 ZINC001149363666 796846224 /nfs/dbraw/zinc/84/62/24/796846224.db2.gz ZARMUWMSFBARPO-CQSZACIVSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCc2ccsc2)C1 ZINC001149847702 796900434 /nfs/dbraw/zinc/90/04/34/796900434.db2.gz HSXXGEDGEWKLCX-MRXNPFEDSA-N 0 3 322.474 2.464 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189910849 796901864 /nfs/dbraw/zinc/90/18/64/796901864.db2.gz UNPBLMUJWTWSCT-GOSISDBHSA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)CCOCC2CCC2)C1 ZINC001189927247 796905054 /nfs/dbraw/zinc/90/50/54/796905054.db2.gz WVELNWMXPOVNNS-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001190013382 796915975 /nfs/dbraw/zinc/91/59/75/796915975.db2.gz DFWDOGBAWHITMV-CQSZACIVSA-N 0 3 308.447 2.405 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001150404131 796941709 /nfs/dbraw/zinc/94/17/09/796941709.db2.gz UGFXUWDEVYXVSL-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)COc3ccccc3)[C@@H]2C1 ZINC001190203165 796962428 /nfs/dbraw/zinc/96/24/28/796962428.db2.gz HIBAWSVOBLSCED-SOLBZPMBSA-N 0 3 314.429 2.420 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2cncs2)CC1 ZINC001150985284 796998165 /nfs/dbraw/zinc/99/81/65/796998165.db2.gz BUBYURTVYQLGHV-UHFFFAOYSA-N 0 3 323.462 2.320 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C#CC(C)(C)C)CC1 ZINC001151121356 797012291 /nfs/dbraw/zinc/01/22/91/797012291.db2.gz MVMPXKCMENQRQN-UHFFFAOYSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)CC(F)F)C1 ZINC001190613581 797041985 /nfs/dbraw/zinc/04/19/85/797041985.db2.gz PNWBUIGQRIYHQM-UONOGXRCSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001190677478 797056554 /nfs/dbraw/zinc/05/65/54/797056554.db2.gz ZHDOTBOGTHVPLR-IAGOWNOFSA-N 0 3 302.418 2.208 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001190933379 797106548 /nfs/dbraw/zinc/10/65/48/797106548.db2.gz HGMUROHGSYBNIR-PQUAAJSLSA-N 0 3 306.450 2.302 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC001190990333 797119997 /nfs/dbraw/zinc/11/99/97/797119997.db2.gz UFUJUNXWLQWDFE-NVXWUHKLSA-N 0 3 321.465 2.079 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CC#Cc2ccccc2)c1 ZINC001151953339 797123733 /nfs/dbraw/zinc/12/37/33/797123733.db2.gz ZTMLGTQEAQDDKI-UHFFFAOYSA-N 0 3 317.392 2.206 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@@H](C)OC ZINC001152320642 797171498 /nfs/dbraw/zinc/17/14/98/797171498.db2.gz VTYLIWPUXLLPKH-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)c1cocn1 ZINC001152464863 797191527 /nfs/dbraw/zinc/19/15/27/797191527.db2.gz FPQABAFSFCPJKQ-CYBMUJFWSA-N 0 3 312.373 2.187 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001191727252 797247710 /nfs/dbraw/zinc/24/77/10/797247710.db2.gz HWNMGKLFSHUMIN-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001191838307 797273035 /nfs/dbraw/zinc/27/30/35/797273035.db2.gz IRSVEEXNJDNEFQ-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCOCC(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001153091397 797284044 /nfs/dbraw/zinc/28/40/44/797284044.db2.gz LXZONCQKHMVBBX-GFCCVEGCSA-N 0 3 312.360 2.324 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1sc(C2CC2)nc1C ZINC001153331884 797322127 /nfs/dbraw/zinc/32/21/27/797322127.db2.gz LXSRJKTXUVNRNZ-LLVKDONJSA-N 0 3 305.447 2.402 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccoc2)C1 ZINC001192172753 797331503 /nfs/dbraw/zinc/33/15/03/797331503.db2.gz VOIWPFXNJXRNMV-IAGOWNOFSA-N 0 3 320.433 2.120 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001192214084 797334839 /nfs/dbraw/zinc/33/48/39/797334839.db2.gz JTTVAHMXYXDISD-BPLDGKMQSA-N 0 3 306.406 2.026 20 30 DEEDHN CC(C)OCCCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001153449391 797339257 /nfs/dbraw/zinc/33/92/57/797339257.db2.gz AVEAAVAFCBCWDF-UHFFFAOYSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001192178137 797341033 /nfs/dbraw/zinc/34/10/33/797341033.db2.gz GHEYYEGGNZTZLP-NWANDNLSSA-N 0 3 310.413 2.300 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001192229578 797348334 /nfs/dbraw/zinc/34/83/34/797348334.db2.gz CLTBJHSFZCRBJW-ZIAGYGMSSA-N 0 3 300.418 2.382 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001153548938 797351647 /nfs/dbraw/zinc/35/16/47/797351647.db2.gz NGRCXQBSTDUHDR-KGLIPLIRSA-N 0 3 306.381 2.053 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@](C)(OC)c1ccccc1F ZINC001153769107 797390691 /nfs/dbraw/zinc/39/06/91/797390691.db2.gz OIVIOFPACWBODO-RDTXWAMCSA-N 0 3 320.408 2.147 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001153857807 797411545 /nfs/dbraw/zinc/41/15/45/797411545.db2.gz DCMVRYOCRUCMQL-CQSZACIVSA-N 0 3 319.449 2.365 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1n[nH]c(CC)c1Cl ZINC001153861299 797412770 /nfs/dbraw/zinc/41/27/70/797412770.db2.gz XTTDBEGLHDZFOQ-LLVKDONJSA-N 0 3 310.829 2.089 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1nccc2ccsc21 ZINC001153895215 797420099 /nfs/dbraw/zinc/42/00/99/797420099.db2.gz WIIJTIPWQUSORA-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1CCOC2 ZINC001154275495 797501327 /nfs/dbraw/zinc/50/13/27/797501327.db2.gz OIYMQMKTATVRDS-OAHLLOKOSA-N 0 3 314.429 2.223 20 30 DEEDHN CC(C#N)S(=O)(=O)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001193137224 797511794 /nfs/dbraw/zinc/51/17/94/797511794.db2.gz UPXNCJJOJFHFRB-NSHDSACASA-N 0 3 311.794 2.298 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccoc1C ZINC001154474545 797541387 /nfs/dbraw/zinc/54/13/87/797541387.db2.gz CIPYXRXCAJTEHC-UHFFFAOYSA-N 0 3 301.184 2.206 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)NCCCCC)CC1 ZINC001193317108 797552737 /nfs/dbraw/zinc/55/27/37/797552737.db2.gz FIVQFLZEJDVPEC-UHFFFAOYSA-N 0 3 322.497 2.178 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1CCOc2ccccc21 ZINC001154596344 797570984 /nfs/dbraw/zinc/57/09/84/797570984.db2.gz MSSSUJCRMJDQND-HZPDHXFCSA-N 0 3 314.429 2.403 20 30 DEEDHN Cc1ccc(-n2nc(C(F)(F)F)c3c2CCNC3)nc1C#N ZINC001154849978 797626694 /nfs/dbraw/zinc/62/66/94/797626694.db2.gz YUOUWTLYNIAVED-UHFFFAOYSA-N 0 3 307.279 2.112 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1csc(-c2ccco2)n1 ZINC001154888525 797633404 /nfs/dbraw/zinc/63/34/04/797633404.db2.gz QJIISQSXTIGLKQ-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2ccccc2F)C1 ZINC001193837311 797634281 /nfs/dbraw/zinc/63/42/81/797634281.db2.gz VRCHQIBHKWDSPU-AWEZNQCLSA-N 0 3 306.381 2.313 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](C)c1cccs1 ZINC001155199192 797706806 /nfs/dbraw/zinc/70/68/06/797706806.db2.gz BZTXOEBCZVSFOP-CABCVRRESA-N 0 3 322.474 2.328 20 30 DEEDHN CCCCO[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155432267 797755868 /nfs/dbraw/zinc/75/58/68/797755868.db2.gz ATKSQBMSUGGLJR-OAHLLOKOSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001110462802 797793865 /nfs/dbraw/zinc/79/38/65/797793865.db2.gz DKFNPCSPOBDRPM-ZACQAIPSSA-N 0 3 306.450 2.327 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001195059166 797822863 /nfs/dbraw/zinc/82/28/63/797822863.db2.gz XTMWYVUCIJTEDN-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCNCc1nc(C(C)(C)C)cs1 ZINC001155847982 797865765 /nfs/dbraw/zinc/86/57/65/797865765.db2.gz FRCUAWAIBJHZAQ-NSHDSACASA-N 0 3 308.451 2.196 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)n1cnc2ccccc21 ZINC001156167502 797937515 /nfs/dbraw/zinc/93/75/15/797937515.db2.gz HIZPUTHGLWUALT-CABCVRRESA-N 0 3 312.417 2.057 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c2ccccc2nn1C ZINC001156183263 797942367 /nfs/dbraw/zinc/94/23/67/797942367.db2.gz YPFKHBVKIXDGDB-CQSZACIVSA-N 0 3 312.417 2.037 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(CCCC)c1C ZINC001156283248 797966298 /nfs/dbraw/zinc/96/62/98/797966298.db2.gz NQKZSLNAXMYSJS-OAHLLOKOSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC/C=C/CC)C[C@H]2O)CCC1 ZINC001195896818 797976376 /nfs/dbraw/zinc/97/63/76/797976376.db2.gz AJPHWFOCKPGGPV-DOOVEFGSSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H]1OCCc2ccccc21 ZINC001156475626 798009845 /nfs/dbraw/zinc/00/98/45/798009845.db2.gz OIFCWUAWTZKAQS-CRAIPNDOSA-N 0 3 314.429 2.150 20 30 DEEDHN N#Cc1nc(Cl)cnc1-n1cncc1CNCc1ccccc1 ZINC001156482454 798012720 /nfs/dbraw/zinc/01/27/20/798012720.db2.gz MIMDOYOEUDNTBO-UHFFFAOYSA-N 0 3 324.775 2.477 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001196227464 798024520 /nfs/dbraw/zinc/02/45/20/798024520.db2.gz CGLMMKQEXZCGJF-MGPQQGTHSA-N 0 3 320.424 2.409 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001196408169 798056004 /nfs/dbraw/zinc/05/60/04/798056004.db2.gz UWNBJELDYRFGIX-QBPKDAKJSA-N 0 3 320.477 2.330 20 30 DEEDHN CC[C@@H](C)OCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156711881 798067711 /nfs/dbraw/zinc/06/77/11/798067711.db2.gz YRDVPDIVHBOLSC-CYBMUJFWSA-N 0 3 321.396 2.108 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)ccc1OC ZINC001156746022 798075710 /nfs/dbraw/zinc/07/57/10/798075710.db2.gz ITNWNRBPCGPCBW-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCOc1ccccc1C ZINC001156870137 798097492 /nfs/dbraw/zinc/09/74/92/798097492.db2.gz JVZOFISUGPHAJG-MRXNPFEDSA-N 0 3 302.418 2.224 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001196946078 798130060 /nfs/dbraw/zinc/13/00/60/798130060.db2.gz IQDLASIAQNTZJN-IAOVAPTHSA-N 0 3 320.408 2.057 20 30 DEEDHN C=C(Br)CNCCCNC(=O)/C=C\c1ccc[nH]1 ZINC001157074381 798138479 /nfs/dbraw/zinc/13/84/79/798138479.db2.gz WODZQRANGOIZRO-WAYWQWQTSA-N 0 3 312.211 2.032 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001157196340 798160343 /nfs/dbraw/zinc/16/03/43/798160343.db2.gz MCGZSZBNMXSSEP-DOMZBBRYSA-N 0 3 304.821 2.440 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(NC(=O)OC)cc1 ZINC001197408275 798187108 /nfs/dbraw/zinc/18/71/08/798187108.db2.gz LIRMFFYTFQCBBD-HNNXBMFYSA-N 0 3 317.389 2.245 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001197768791 798236016 /nfs/dbraw/zinc/23/60/16/798236016.db2.gz FKKYNFVPWNJKQC-RBSFLKMASA-N 0 3 322.474 2.288 20 30 DEEDHN C=CCN1CCCN(C(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC001197794522 798238874 /nfs/dbraw/zinc/23/88/74/798238874.db2.gz KJESPKBOUKPSIB-GOSISDBHSA-N 0 3 315.461 2.400 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1ccc(F)cc1Cl ZINC001157705352 798262648 /nfs/dbraw/zinc/26/26/48/798262648.db2.gz YAHOFCUODSJAAA-UHFFFAOYSA-N 0 3 308.784 2.488 20 30 DEEDHN COc1nc(N2CCN[C@H](c3ccccc3)C2)c(F)cc1C#N ZINC001157765807 798274306 /nfs/dbraw/zinc/27/43/06/798274306.db2.gz YNYKPGYBLQUDMX-HNNXBMFYSA-N 0 3 312.348 2.252 20 30 DEEDHN C=CC[C@H](C(=O)N1CCCN(C[C@H](C)O)CC1)c1ccccc1 ZINC001198196994 798297045 /nfs/dbraw/zinc/29/70/45/798297045.db2.gz KFVYQMQCRXCMDO-WMZOPIPTSA-N 0 3 316.445 2.261 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157951132 798311866 /nfs/dbraw/zinc/31/18/66/798311866.db2.gz PVNBXOMCJQDNKR-DLBZAZTESA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCCOCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001198324306 798315938 /nfs/dbraw/zinc/31/59/38/798315938.db2.gz MRWDBSSKWVNHIP-UHFFFAOYSA-N 0 3 316.445 2.356 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc(Cl)n1C ZINC001158221378 798362851 /nfs/dbraw/zinc/36/28/51/798362851.db2.gz QPOCEFJKXHMHPJ-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001158255182 798367904 /nfs/dbraw/zinc/36/79/04/798367904.db2.gz VROAHSZZFNRFKE-OAHLLOKOSA-N 0 3 323.412 2.283 20 30 DEEDHN C=CCOCCCC(=O)NC[C@H](NCC)c1ccccc1OC ZINC001198635531 798371405 /nfs/dbraw/zinc/37/14/05/798371405.db2.gz FPQMLLRMKQHNMC-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)C#CC1CC1)NCCCF ZINC001198723805 798382100 /nfs/dbraw/zinc/38/21/00/798382100.db2.gz KWHFGLBEZCPLIW-INIZCTEOSA-N 0 3 318.392 2.215 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)c1ncc[nH]1)c1ccccc1OC ZINC001198713012 798387599 /nfs/dbraw/zinc/38/75/99/798387599.db2.gz KEBMEEPWFKAODD-AWEZNQCLSA-N 0 3 314.389 2.055 20 30 DEEDHN C[C@H](N)c1ccn(-c2nc(C#N)ccc2NC(=O)C(C)(C)C)n1 ZINC001158351102 798390605 /nfs/dbraw/zinc/39/06/05/798390605.db2.gz UDYDTFNUEVCNSU-JTQLQIEISA-N 0 3 312.377 2.143 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ncn(C(C)(C)C)n1 ZINC001158472717 798413027 /nfs/dbraw/zinc/41/30/27/798413027.db2.gz FIVMRNKETKHKCY-CQSZACIVSA-N 0 3 319.453 2.146 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1 ZINC001158541873 798426126 /nfs/dbraw/zinc/42/61/26/798426126.db2.gz XMXFAZKKLDBMQJ-OAHLLOKOSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(CC)nn1C ZINC001158646654 798443109 /nfs/dbraw/zinc/44/31/09/798443109.db2.gz RKLUYQDTMMYBBX-OAHLLOKOSA-N 0 3 304.438 2.095 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(N(C)C)cn1 ZINC001158943493 798493641 /nfs/dbraw/zinc/49/36/41/798493641.db2.gz ZTGLXTYFKALIAJ-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1COc2ccccc2O1 ZINC001158948693 798493730 /nfs/dbraw/zinc/49/37/30/798493730.db2.gz HKEILSIDJHUFEL-ZDUSSCGKSA-N 0 3 324.808 2.065 20 30 DEEDHN C[C@@H](Nc1nc(Cl)c(Cl)cc1C#N)[C@H]1CNCCO1 ZINC001159496308 798572932 /nfs/dbraw/zinc/57/29/32/798572932.db2.gz JJNVYDZWEAZKBA-GMSGAONNSA-N 0 3 301.177 2.049 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@@H](CNCc2cccc(F)c2)C1 ZINC001200084140 798587014 /nfs/dbraw/zinc/58/70/14/798587014.db2.gz TUUBZAQVTQHIEM-KRWDZBQOSA-N 0 3 320.408 2.499 20 30 DEEDHN N#Cc1ccc(CNC(=S)NCCN2CCCCC2)cc1 ZINC001200417395 798625062 /nfs/dbraw/zinc/62/50/62/798625062.db2.gz WNDOPZWODFKCFE-UHFFFAOYSA-N 0 3 302.447 2.008 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC(NCc2cnns2)CC1 ZINC001200747489 798675673 /nfs/dbraw/zinc/67/56/73/798675673.db2.gz JWGQWQWVURSLTQ-UHFFFAOYSA-N 0 3 320.462 2.387 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001200795293 798681672 /nfs/dbraw/zinc/68/16/72/798681672.db2.gz ZJQWEACLJMRXDH-UHFFFAOYSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(NCc2cnns2)CC1 ZINC001200794255 798682017 /nfs/dbraw/zinc/68/20/17/798682017.db2.gz DEYBBTAPJFOKNO-UHFFFAOYSA-N 0 3 308.451 2.221 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(CC(C)C)CCC2)CCCO1 ZINC001200944400 798700603 /nfs/dbraw/zinc/70/06/03/798700603.db2.gz IDWWZZVEOAHMKR-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCC1(C(=O)N2CCC(NCc3cc(C)no3)CC2)CCC1 ZINC001201002061 798705311 /nfs/dbraw/zinc/70/53/11/798705311.db2.gz HZCDCLVJVQVGSB-UHFFFAOYSA-N 0 3 315.417 2.257 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)CCCO1 ZINC001201089751 798714839 /nfs/dbraw/zinc/71/48/39/798714839.db2.gz RMGZNZLWRYTHEH-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccccc2CC)CCCO1 ZINC001201260584 798731560 /nfs/dbraw/zinc/73/15/60/798731560.db2.gz IOHJOTGHTRXBPH-KRWDZBQOSA-N 0 3 314.429 2.093 20 30 DEEDHN Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C#N ZINC001201330451 798734616 /nfs/dbraw/zinc/73/46/16/798734616.db2.gz PMSPOZRJFPCMOV-UHFFFAOYSA-N 0 3 321.446 2.021 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@@H](CNC[C@H](F)CC)C1 ZINC001201294237 798735304 /nfs/dbraw/zinc/73/53/04/798735304.db2.gz UGNCRBZXHOYBKG-CABCVRRESA-N 0 3 300.418 2.298 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](C)c2ccsc2)CCCO1 ZINC001201389040 798750266 /nfs/dbraw/zinc/75/02/66/798750266.db2.gz IIHBLDDVWMISFW-GDBMZVCRSA-N 0 3 320.458 2.082 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CCCCCC(C)C)CCCO1 ZINC001201577160 798773250 /nfs/dbraw/zinc/77/32/50/798773250.db2.gz UMHFBBNYDZDOJC-QGZVFWFLSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CCCCCC(C)C)CCCO1 ZINC001201577159 798773358 /nfs/dbraw/zinc/77/33/58/798773358.db2.gz UMHFBBNYDZDOJC-KRWDZBQOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@](C)(CC)CCC)CCCO1 ZINC001201725311 798790823 /nfs/dbraw/zinc/79/08/23/798790823.db2.gz AMUCPFPCMQPPJU-AEFFLSMTSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)CCCO1 ZINC001201966311 798815880 /nfs/dbraw/zinc/81/58/80/798815880.db2.gz YHLSVOPOPVXQIP-DAWZGUTISA-N 0 3 318.461 2.043 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NCc2snnc2C)CC1 ZINC001202084624 798824876 /nfs/dbraw/zinc/82/48/76/798824876.db2.gz GYNKPMCPHZWRRT-NWDGAFQWSA-N 0 3 322.478 2.385 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC001202130047 798830728 /nfs/dbraw/zinc/83/07/28/798830728.db2.gz CZYININGOGBJOT-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C23CCC(CC2)CC3)CCCO1 ZINC001202141957 798832586 /nfs/dbraw/zinc/83/25/86/798832586.db2.gz UIELNCQWVOQWGB-TVRKMHQQSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCC1(C(=O)N2CCC(NCc3ccn(C)n3)CC2)CCC1 ZINC001202365009 798877298 /nfs/dbraw/zinc/87/72/98/798877298.db2.gz FCBNKXCTYDAYFT-UHFFFAOYSA-N 0 3 316.449 2.247 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC001161913917 798965601 /nfs/dbraw/zinc/96/56/01/798965601.db2.gz CTDWMLZDWDEIOT-SJLPKXTDSA-N 0 3 318.461 2.496 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC001161994094 798987744 /nfs/dbraw/zinc/98/77/44/798987744.db2.gz SXCYRJVAFDUONJ-INIZCTEOSA-N 0 3 316.449 2.385 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C)cs2)(COC)CC1 ZINC001162252123 799042537 /nfs/dbraw/zinc/04/25/37/799042537.db2.gz AEXLFSHNHKCGJZ-UHFFFAOYSA-N 0 3 320.458 2.148 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114326180 799051131 /nfs/dbraw/zinc/05/11/31/799051131.db2.gz MRBMGHRALIGMJC-PIIMJCKOSA-N 0 3 318.461 2.228 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1(COC)CCN(CC#CC)CC1 ZINC001162288150 799051487 /nfs/dbraw/zinc/05/14/87/799051487.db2.gz IZCWAORSJBLDDB-UHFFFAOYSA-N 0 3 320.477 2.457 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC(CC)CC)(COC)CC1 ZINC001162553963 799115415 /nfs/dbraw/zinc/11/54/15/799115415.db2.gz UNNOMHUTYDCJFJ-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H](CC)SC ZINC001162780474 799172742 /nfs/dbraw/zinc/17/27/42/799172742.db2.gz XRIHZJVYXJHGLL-QGZVFWFLSA-N 0 3 318.486 2.422 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)/C=C/c1ccc[nH]1 ZINC001162783877 799172989 /nfs/dbraw/zinc/17/29/89/799172989.db2.gz BFNFQWSUCHPQKM-ZHACJKMWSA-N 0 3 321.424 2.322 20 30 DEEDHN COC(=O)C[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137121561 799196785 /nfs/dbraw/zinc/19/67/85/799196785.db2.gz RMICRTLHNTVKKZ-HNNXBMFYSA-N 0 3 302.374 2.364 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001162955180 799207388 /nfs/dbraw/zinc/20/73/88/799207388.db2.gz DWODSZKLRZPYGS-RBUKOAKNSA-N 0 3 310.441 2.327 20 30 DEEDHN C=CCNC(=O)N1CCN2C[C@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001202567342 799272273 /nfs/dbraw/zinc/27/22/73/799272273.db2.gz WYYQZXRBQLOENH-DOTOQJQBSA-N 0 3 315.417 2.028 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202688185 799360303 /nfs/dbraw/zinc/36/03/03/799360303.db2.gz HTOFUSWNQKPNLW-UHFFFAOYSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1OCCc2ccccc21 ZINC001163723586 799416391 /nfs/dbraw/zinc/41/63/91/799416391.db2.gz VHRNCBUKYCPXSB-OAHLLOKOSA-N 0 3 308.809 2.149 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC1(CNCC=C(Cl)Cl)CC1 ZINC001163830904 799442358 /nfs/dbraw/zinc/44/23/58/799442358.db2.gz OGUSHPQEDZWRLC-SNVBAGLBSA-N 0 3 304.221 2.341 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001163952829 799463392 /nfs/dbraw/zinc/46/33/92/799463392.db2.gz AITHKZWVQAZHLD-UHFFFAOYSA-N 0 3 305.378 2.403 20 30 DEEDHN C#CCCCCCC(=O)NCCCNCc1nccn1CC ZINC001163963653 799465278 /nfs/dbraw/zinc/46/52/78/799465278.db2.gz HZYIMLSMWIYEAI-UHFFFAOYSA-N 0 3 304.438 2.083 20 30 DEEDHN C[C@@H](C(=O)NCCCNCc1ccccc1C#N)C(F)(F)F ZINC001164080425 799504445 /nfs/dbraw/zinc/50/44/45/799504445.db2.gz IRIGWAIRNYNLFC-NSHDSACASA-N 0 3 313.323 2.353 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1Cc3ccccc3O1)C2 ZINC001095459377 799608577 /nfs/dbraw/zinc/60/85/77/799608577.db2.gz QUGCTSHFYMDYEU-BDXSIMOUSA-N 0 3 324.424 2.125 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1COC)C2 ZINC001095619744 799673057 /nfs/dbraw/zinc/67/30/57/799673057.db2.gz SLNIDBQBNAAJJY-SNPRPXQTSA-N 0 3 318.442 2.253 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCn3nccc31)C2 ZINC001095642496 799679509 /nfs/dbraw/zinc/67/95/09/799679509.db2.gz ZKWOFSSVSDEGPL-AIANPOQGSA-N 0 3 314.433 2.058 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001095688586 799695681 /nfs/dbraw/zinc/69/56/81/799695681.db2.gz HMZJQFPEFNCDOY-PVUWLOKVSA-N 0 3 310.401 2.474 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C[C@@H]1C ZINC000947351494 799734800 /nfs/dbraw/zinc/73/48/00/799734800.db2.gz CIVFHVWRGJWWEQ-AAEUAGOBSA-N 0 3 324.375 2.193 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2cc(C)n(C)n2)CC1 ZINC001165913442 799793950 /nfs/dbraw/zinc/79/39/50/799793950.db2.gz AISWQLXFCYIRFR-UHFFFAOYSA-N 0 3 304.438 2.071 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCNCc1cccnc1OC ZINC001165921470 799795607 /nfs/dbraw/zinc/79/56/07/799795607.db2.gz MGIBDMFABYCABD-KRWDZBQOSA-N 0 3 305.422 2.288 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1cccnc1OC ZINC001165921471 799795889 /nfs/dbraw/zinc/79/58/89/799795889.db2.gz MGIBDMFABYCABD-QGZVFWFLSA-N 0 3 305.422 2.288 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1C[C@H]1CCC ZINC001166203672 799843069 /nfs/dbraw/zinc/84/30/69/799843069.db2.gz HUOARTQUAUKACQ-VXGBXAGGSA-N 0 3 303.244 2.427 20 30 DEEDHN CCc1ncoc1C(=O)NCCCNCc1ccccc1C#N ZINC001166282369 799855211 /nfs/dbraw/zinc/85/52/11/799855211.db2.gz DGZFEDIIOFJGRW-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC001205395302 800351775 /nfs/dbraw/zinc/35/17/75/800351775.db2.gz VPKXMRRCCHKWJW-UHFFFAOYSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205407578 800353894 /nfs/dbraw/zinc/35/38/94/800353894.db2.gz RJPMJUYKKGMILA-UHFFFAOYSA-N 0 3 308.451 2.223 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCCCO1)C2 ZINC001111084101 800506988 /nfs/dbraw/zinc/50/69/88/800506988.db2.gz ATUUTXOLMSRMLS-TWMKSMIVSA-N 0 3 304.434 2.081 20 30 DEEDHN CC(F)(F)C(=O)N1CCC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001207041756 800666429 /nfs/dbraw/zinc/66/64/29/800666429.db2.gz OZRXZYHZQZYEIF-HNNXBMFYSA-N 0 3 324.346 2.413 20 30 DEEDHN Cn1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1C#N ZINC001207108041 800684987 /nfs/dbraw/zinc/68/49/87/800684987.db2.gz FTDDHXHLWRMTBF-IAGOWNOFSA-N 0 3 306.413 2.465 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC001207117325 800686740 /nfs/dbraw/zinc/68/67/40/800686740.db2.gz UBGVKLZVSJLAOP-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001207343093 800734043 /nfs/dbraw/zinc/73/40/43/800734043.db2.gz JUBXAKXIDIGLGT-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN CCCOCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207610358 800788600 /nfs/dbraw/zinc/78/86/00/800788600.db2.gz DCWXTZBJGVRUEO-GOSISDBHSA-N 0 3 314.429 2.045 20 30 DEEDHN CCCOCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207610359 800788984 /nfs/dbraw/zinc/78/89/84/800788984.db2.gz DCWXTZBJGVRUEO-SFHVURJKSA-N 0 3 314.429 2.045 20 30 DEEDHN CCOCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207664168 800802025 /nfs/dbraw/zinc/80/20/25/800802025.db2.gz UMYFHZZADKBKMH-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCN(CCC#N)CC1 ZINC001208222545 800932744 /nfs/dbraw/zinc/93/27/44/800932744.db2.gz SXZUFIXUNSTJLC-OAHLLOKOSA-N 0 3 315.417 2.125 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCC(=O)NCC(C)(C)C)C1 ZINC001208258139 800941563 /nfs/dbraw/zinc/94/15/63/800941563.db2.gz BFWHDTNQGZKEOF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2C)C1 ZINC001208546964 801008248 /nfs/dbraw/zinc/00/82/48/801008248.db2.gz XKJQWUUIWAAUDH-GDBMZVCRSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN(CCN1CCC2(C[C@H](F)CO2)CC1)C(=O)OCC ZINC001209019991 801112765 /nfs/dbraw/zinc/11/27/65/801112765.db2.gz AQODBBCAJAAFCO-AWEZNQCLSA-N 0 3 314.401 2.224 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 ZINC001209162686 801141591 /nfs/dbraw/zinc/14/15/91/801141591.db2.gz YICPHDCOAODLGK-RBSFLKMASA-N 0 3 306.431 2.143 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001209184974 801144337 /nfs/dbraw/zinc/14/43/37/801144337.db2.gz VHSYISATWVUDEX-GJZGRUSLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001209455099 801194932 /nfs/dbraw/zinc/19/49/32/801194932.db2.gz QLFWHQMUPOHJBK-KBXCAEBGSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cnccc1N)C2 ZINC001209725109 801265508 /nfs/dbraw/zinc/26/55/08/801265508.db2.gz HDRPUNKLALFTPA-ROUUACIJSA-N 0 3 317.433 2.068 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001209866320 801298230 /nfs/dbraw/zinc/29/82/30/801298230.db2.gz RIEHYTATCNFZDE-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCCn2ccnc2C)C1 ZINC001210134675 801339192 /nfs/dbraw/zinc/33/91/92/801339192.db2.gz XWYFSYMWIJPXFJ-OAHLLOKOSA-N 0 3 324.856 2.305 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001210179840 801347456 /nfs/dbraw/zinc/34/74/56/801347456.db2.gz SEDYEZHLPVJDLH-HLLBOEOZSA-N 0 3 308.466 2.452 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC#N)N1CCCCC1 ZINC001230284405 801380110 /nfs/dbraw/zinc/38/01/10/801380110.db2.gz CTWRKNQVSWBTMN-BRWVUGGUSA-N 0 3 320.481 2.037 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001230319949 801385149 /nfs/dbraw/zinc/38/51/49/801385149.db2.gz ADDPFOUSJGZYSH-ZIAGYGMSSA-N 0 3 300.830 2.349 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@@H](CC)OC)Cc1cccnc1 ZINC001230703936 801467552 /nfs/dbraw/zinc/46/75/52/801467552.db2.gz BYSAOWZFOBFFMS-QGZVFWFLSA-N 0 3 319.449 2.391 20 30 DEEDHN C[C@@H](F)CCN(CCCNC(=O)[C@H](C)C#N)Cc1cccnc1 ZINC001230713927 801471730 /nfs/dbraw/zinc/47/17/30/801471730.db2.gz PIDKPDJIQZWYRZ-HUUCEWRRSA-N 0 3 320.412 2.298 20 30 DEEDHN O=C(C#CC1CC1)NCCCN(CCCF)Cc1cccnc1 ZINC001230756801 801483527 /nfs/dbraw/zinc/48/35/27/801483527.db2.gz LCOIZBBCWQVKHM-UHFFFAOYSA-N 0 3 317.408 2.163 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001210982672 801495834 /nfs/dbraw/zinc/49/58/34/801495834.db2.gz MHQJGMFYVQHWFW-SJLPKXTDSA-N 0 3 314.429 2.142 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001211046911 801505204 /nfs/dbraw/zinc/50/52/04/801505204.db2.gz WVADZKOXDGBSHO-HZPDHXFCSA-N 0 3 319.449 2.322 20 30 DEEDHN C=CCCCC(=O)NCCCN(Cc1cccnc1)C[C@H](C)O ZINC001230829883 801505701 /nfs/dbraw/zinc/50/57/01/801505701.db2.gz QNWPJNWSMDEUIX-INIZCTEOSA-N 0 3 319.449 2.127 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CCOC)C[C@H]1C)c1ccccc1 ZINC001211235642 801535017 /nfs/dbraw/zinc/53/50/17/801535017.db2.gz UIUZXAROECHPHJ-DJIMGWMZSA-N 0 3 302.418 2.039 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CNC(=O)CCC ZINC001231016062 801556942 /nfs/dbraw/zinc/55/69/42/801556942.db2.gz YQNVQISKCLKXKW-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(F)c2F)[C@H](OC)C1 ZINC001213339960 801597479 /nfs/dbraw/zinc/59/74/79/801597479.db2.gz JAOHOWHUOAUTBD-HUUCEWRRSA-N 0 3 324.371 2.360 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1OC ZINC001213350489 801598461 /nfs/dbraw/zinc/59/84/61/801598461.db2.gz VNJBJMCGPTUKHN-QZTJIDSGSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@H](OC)C1 ZINC001213662054 801633299 /nfs/dbraw/zinc/63/32/99/801633299.db2.gz OJENFKZBFWKHPX-HUUCEWRRSA-N 0 3 321.421 2.193 20 30 DEEDHN CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001231407406 801659120 /nfs/dbraw/zinc/65/91/20/801659120.db2.gz JNTPIGMINILALX-FOSCPCJNSA-N 0 3 300.406 2.389 20 30 DEEDHN Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)on1 ZINC001214132381 801679993 /nfs/dbraw/zinc/67/99/93/801679993.db2.gz WHEGQCXNHQAPRV-RHSMWYFYSA-N 0 3 323.396 2.085 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)CCCC)C[C@H]1C ZINC001214161935 801683355 /nfs/dbraw/zinc/68/33/55/801683355.db2.gz NBPQQWQPOKYVTE-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN COc1cc(C#N)ccc1CN(C)C1CCN(C(C)=O)CC1 ZINC001231619554 801697024 /nfs/dbraw/zinc/69/70/24/801697024.db2.gz DFEDDTDUZYYYAV-UHFFFAOYSA-N 0 3 301.390 2.010 20 30 DEEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCC2(C1)OCCO2 ZINC001231620407 801697215 /nfs/dbraw/zinc/69/72/15/801697215.db2.gz ACWHIJVIUQYWRB-OAHLLOKOSA-N 0 3 302.374 2.294 20 30 DEEDHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231821395 801734539 /nfs/dbraw/zinc/73/45/39/801734539.db2.gz CXQCWRUSNLISJP-GOSISDBHSA-N 0 3 314.433 2.089 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001214727808 801753183 /nfs/dbraw/zinc/75/31/83/801753183.db2.gz SSLOFRBNTCKSFU-YRGRVCCFSA-N 0 3 319.453 2.213 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001214745206 801756756 /nfs/dbraw/zinc/75/67/56/801756756.db2.gz HLSLJFLCLUMHJV-OWCLPIDISA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001215508148 801868909 /nfs/dbraw/zinc/86/89/09/801868909.db2.gz XSKNKUSAYVNSCH-NVXWUHKLSA-N 0 3 314.404 2.224 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(F)ccn3)C2)C1=O ZINC001232492517 801901764 /nfs/dbraw/zinc/90/17/64/801901764.db2.gz FKLGTIKZBKVRFS-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3occc3C)[C@H]2C1 ZINC001217279833 802063700 /nfs/dbraw/zinc/06/37/00/802063700.db2.gz FEQFXJNBEKRGNF-HRCADAONSA-N 0 3 318.417 2.468 20 30 DEEDHN C#CCCCC(=O)N1CCO[C@@H]2CN(CCCC(C)C)C[C@@H]21 ZINC001217758899 802112810 /nfs/dbraw/zinc/11/28/10/802112810.db2.gz UCWYMUCDSDPQCB-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN N#CC[C@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1ccccc1 ZINC001218317489 802168002 /nfs/dbraw/zinc/16/80/02/802168002.db2.gz NNOPUONJDNXICH-IRXDYDNUSA-N 0 3 309.369 2.075 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001233655171 802175569 /nfs/dbraw/zinc/17/55/69/802175569.db2.gz WMGSORQJOSBWKQ-CVEARBPZSA-N 0 3 322.449 2.219 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C/C=C(\C)C=C)[C@H]2C1 ZINC001218485992 802190283 /nfs/dbraw/zinc/19/02/83/802190283.db2.gz BAWWFAUHLRLZGB-UFWNIKGBSA-N 0 3 304.434 2.387 20 30 DEEDHN N#Cc1ccnc(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)c1 ZINC001218503887 802192866 /nfs/dbraw/zinc/19/28/66/802192866.db2.gz KXGHSZBKWUDVMA-IEKYFPHUSA-N 0 3 310.401 2.435 20 30 DEEDHN N#Cc1c(NC(=O)Cc2ccc(N)cc2)sc2c1CCNC2 ZINC001218553556 802204098 /nfs/dbraw/zinc/20/40/98/802204098.db2.gz QYUPKARXASXTIY-UHFFFAOYSA-N 0 3 312.398 2.029 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCCC(F)(F)F)[C@H]2C1 ZINC001218683438 802226977 /nfs/dbraw/zinc/22/69/77/802226977.db2.gz UNUAXZWQFSSMPH-QWHCGFSZSA-N 0 3 320.355 2.207 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 ZINC001233865210 802228479 /nfs/dbraw/zinc/22/84/79/802228479.db2.gz GKWWCXJPQJUUPX-CQSZACIVSA-N 0 3 323.437 2.095 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCn1ccnn1 ZINC001233905749 802239050 /nfs/dbraw/zinc/23/90/50/802239050.db2.gz BBSGFDBBWMSKBH-MRXNPFEDSA-N 0 3 321.469 2.171 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001233976611 802256773 /nfs/dbraw/zinc/25/67/73/802256773.db2.gz HDBNJATVESRXIU-AEFFLSMTSA-N 0 3 308.466 2.427 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@@H](O)C1 ZINC001219177481 802292883 /nfs/dbraw/zinc/29/28/83/802292883.db2.gz QLBHSGFQFOSCCQ-BBWFWOEESA-N 0 3 308.466 2.474 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001234162912 802315452 /nfs/dbraw/zinc/31/54/52/802315452.db2.gz WOGKCHZJWVQGNH-MSOLQXFVSA-N 0 3 320.477 2.120 20 30 DEEDHN CN(C[C@H]1CCN1CCC[C@@H]1CCOC1)C(=O)C#CC(C)(C)C ZINC001234215417 802328065 /nfs/dbraw/zinc/32/80/65/802328065.db2.gz LFIIXGRJCKPBTA-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCCNC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001219633913 802356639 /nfs/dbraw/zinc/35/66/39/802356639.db2.gz IMTIRTDMBPVKAD-INIZCTEOSA-N 0 3 302.418 2.263 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)CC(F)F)[C@@H](O)C1 ZINC001220029801 802401842 /nfs/dbraw/zinc/40/18/42/802401842.db2.gz MPZMGDLQYGHUGT-MJBXVCDLSA-N 0 3 318.408 2.185 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCCCC)C[C@@H]1O ZINC001220149179 802414790 /nfs/dbraw/zinc/41/47/90/802414790.db2.gz BHKFEQSJEHAZST-SJORKVTESA-N 0 3 308.466 2.312 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(CCC)cc2)[C@@H](O)C1 ZINC001220235183 802430720 /nfs/dbraw/zinc/43/07/20/802430720.db2.gz CJIVLOQOBHNOKK-MSOLQXFVSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H](O)C1 ZINC001220888305 802509434 /nfs/dbraw/zinc/50/94/34/802509434.db2.gz JOWIRJOTUYWMFB-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@H]1CN(CCCC)C[C@@H]1O)c1ccccc1 ZINC001221042598 802523397 /nfs/dbraw/zinc/52/33/97/802523397.db2.gz PRCSKAFHMBTURH-JQHSSLGASA-N 0 3 316.445 2.308 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](O)C1 ZINC001221056685 802525809 /nfs/dbraw/zinc/52/58/09/802525809.db2.gz FPNIDVSVUULLIK-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(CC=C)CCCC2)[C@@H](O)C1 ZINC001221198967 802536000 /nfs/dbraw/zinc/53/60/00/802536000.db2.gz LNTGPHBZARDVAO-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCO[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001221540809 802590820 /nfs/dbraw/zinc/59/08/20/802590820.db2.gz BJGXNDFQGJPCKA-RCCFBDPRSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(CCOCC)C[C@H]21 ZINC001221572235 802593728 /nfs/dbraw/zinc/59/37/28/802593728.db2.gz VPUISKUNRFJWEV-IAGOWNOFSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3coc(OCC)n3)[C@@H]2C1 ZINC001221670601 802602286 /nfs/dbraw/zinc/60/22/86/802602286.db2.gz JZCOJGBGQYORBK-UKRRQHHQSA-N 0 3 319.405 2.186 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)CC(F)(F)F)[C@@H]2C1 ZINC001221707539 802606230 /nfs/dbraw/zinc/60/62/30/802606230.db2.gz GPIVECPVHZDMTE-JHJVBQTASA-N 0 3 302.340 2.131 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CCN(CCOC3CCC3)C[C@H]21 ZINC001221754696 802611136 /nfs/dbraw/zinc/61/11/36/802611136.db2.gz RFJKARNNCOOAJH-SJLPKXTDSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCCN1CC[C@@H]2CCN(C(=O)c3cnns3)C[C@@H]21 ZINC001222330277 802671190 /nfs/dbraw/zinc/67/11/90/802671190.db2.gz QOUVKMRKHVAFAM-OLZOCXBDSA-N 0 3 306.435 2.041 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCC(F)(F)F)C[C@@H]21 ZINC001222510040 802698251 /nfs/dbraw/zinc/69/82/51/802698251.db2.gz QHTAQKPXXDXWEG-OLZOCXBDSA-N 0 3 302.340 2.275 20 30 DEEDHN C=CCCC(=O)NCC1CCN(CCc2ccns2)CC1 ZINC001222612577 802717081 /nfs/dbraw/zinc/71/70/81/802717081.db2.gz GLIBHQJBLACNSD-UHFFFAOYSA-N 0 3 307.463 2.480 20 30 DEEDHN N#Cc1ncccc1CO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001223059749 802763260 /nfs/dbraw/zinc/76/32/60/802763260.db2.gz YDLHEBDFQOQFTA-WKILWMFISA-N 0 3 301.390 2.113 20 30 DEEDHN COCCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224428010 802868167 /nfs/dbraw/zinc/86/81/67/802868167.db2.gz VTEKTHWZOGZXER-QZTJIDSGSA-N 0 3 314.429 2.092 20 30 DEEDHN CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224604810 802886095 /nfs/dbraw/zinc/88/60/95/802886095.db2.gz YNSZMDFPWVAFSA-QZTJIDSGSA-N 0 3 314.429 2.092 20 30 DEEDHN Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C#N ZINC001225395787 802960341 /nfs/dbraw/zinc/96/03/41/802960341.db2.gz RUACKYBOHQRQLF-RBSFLKMASA-N 0 3 300.406 2.067 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COCc2ccccc2)CC1 ZINC001225393037 802960381 /nfs/dbraw/zinc/96/03/81/802960381.db2.gz DSKUZFCWEHWJQB-UHFFFAOYSA-N 0 3 314.429 2.055 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001226532395 803120302 /nfs/dbraw/zinc/12/03/02/803120302.db2.gz FDDRZGAERLIORD-HZPDHXFCSA-N 0 3 304.438 2.293 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cccc(CC)n2)CC1 ZINC001227832731 803285914 /nfs/dbraw/zinc/28/59/14/803285914.db2.gz MYDMYPXSGZWPQW-UHFFFAOYSA-N 0 3 317.433 2.041 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001227916729 803293795 /nfs/dbraw/zinc/29/37/95/803293795.db2.gz HJEXILNZVJFZDP-HUUCEWRRSA-N 0 3 323.481 2.130 20 30 DEEDHN C#CCCCCCC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001228637149 803384136 /nfs/dbraw/zinc/38/41/36/803384136.db2.gz MNJLVVXUTYFHBZ-UHFFFAOYSA-N 0 3 316.449 2.047 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(CCOCC2CC2)CC1 ZINC001228748174 803405464 /nfs/dbraw/zinc/40/54/64/803405464.db2.gz JXQBCQFAUAXBBI-LSDHHAIUSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001334278859 1150256207 /nfs/dbraw/zinc/25/62/07/1150256207.db2.gz ZYQHMNLXMDDLTR-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](CNC(=O)COC(C)(C)C)NCc1ccc(C#N)s1 ZINC001418211503 1167492546 /nfs/dbraw/zinc/49/25/46/1167492546.db2.gz ULNXTADHSYYTND-LLVKDONJSA-N 0 3 309.435 2.029 20 30 DEEDHN COc1cccc2c1OCCC[C@H]2NC(=O)[C@H](N)CCCC#N ZINC001330968455 1149349258 /nfs/dbraw/zinc/34/92/58/1149349258.db2.gz CSYDQKDKLMGHRW-ZIAGYGMSSA-N 0 3 317.389 2.046 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001418629937 1167852826 /nfs/dbraw/zinc/85/28/26/1167852826.db2.gz LCHJTOIMQBCOSP-CQSZACIVSA-N 0 3 315.889 2.297 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001419278718 1168369008 /nfs/dbraw/zinc/36/90/08/1168369008.db2.gz NXXFKFQFIGFSHX-KGLIPLIRSA-N 0 3 309.410 2.352 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1sc(C)cc1C ZINC001331461025 1149465950 /nfs/dbraw/zinc/46/59/50/1149465950.db2.gz SJZVKQFNYZARPI-ZDUSSCGKSA-N 0 3 308.447 2.065 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC001331594665 1149547479 /nfs/dbraw/zinc/54/74/79/1149547479.db2.gz MFAMPNLIRMMSBM-GDBMZVCRSA-N 0 3 300.402 2.013 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001331646025 1149572771 /nfs/dbraw/zinc/57/27/71/1149572771.db2.gz FQKGBNUBUGRWKN-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1cccc(OC(C)C)c1 ZINC001331648828 1149575630 /nfs/dbraw/zinc/57/56/30/1149575630.db2.gz QTCXYURRCDBDSG-INIZCTEOSA-N 0 3 316.445 2.476 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cccnc1C(F)F ZINC001327228870 1148400527 /nfs/dbraw/zinc/40/05/27/1148400527.db2.gz BOGFYBRJQGDHHU-UHFFFAOYSA-N 0 3 309.360 2.436 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1nc2ccccc2n1CC ZINC001343407609 1150739913 /nfs/dbraw/zinc/73/99/13/1150739913.db2.gz HBVVVWNEKUNYEY-AWEZNQCLSA-N 0 3 314.433 2.399 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c(C)cc(C)nc1C ZINC001327239410 1148402997 /nfs/dbraw/zinc/40/29/97/1148402997.db2.gz OSMQQWYVFZWJMV-UHFFFAOYSA-N 0 3 301.434 2.424 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCn2cnnc2[C@H]1C ZINC001343643312 1150759340 /nfs/dbraw/zinc/75/93/40/1150759340.db2.gz LDQUWMXUHZJSON-ZIAGYGMSSA-N 0 3 307.442 2.259 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001344116136 1150797690 /nfs/dbraw/zinc/79/76/90/1150797690.db2.gz PGAIYTRZNRBGKF-OAGGEKHMSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1C(=O)C(C)(C)N(C)CC ZINC001344164783 1150805036 /nfs/dbraw/zinc/80/50/36/1150805036.db2.gz MKJOZTSABSFDSM-OAHLLOKOSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CN1CC[C@H]1CN(C)C(=O)CN(C)CC(C)(C)C ZINC001368406270 1148435512 /nfs/dbraw/zinc/43/55/12/1148435512.db2.gz YWLXGUVBZYNDTP-AWEZNQCLSA-N 0 3 315.889 2.250 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(F)F ZINC001331855103 1149730092 /nfs/dbraw/zinc/73/00/92/1149730092.db2.gz YVXQHWDAPNVJNK-UKRRQHHQSA-N 0 3 306.356 2.272 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnc(Cl)n1C ZINC001571284506 1068209750 /nfs/dbraw/zinc/20/97/50/1068209750.db2.gz QFYPTQMXBUDYRA-JTQLQIEISA-N 0 3 319.236 2.314 20 30 DEEDHN CC#CCN(CCCNC(=O)C1Cc2ccccc2C1)C1CC1 ZINC001479876190 1151022887 /nfs/dbraw/zinc/02/28/87/1151022887.db2.gz JYEXLBPIAFPTPE-UHFFFAOYSA-N 0 3 310.441 2.395 20 30 DEEDHN CC(=NNCC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC001328550909 1148809033 /nfs/dbraw/zinc/80/90/33/1148809033.db2.gz JLNDBCDZPNDEPM-UHFFFAOYSA-N 0 3 317.433 2.263 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc(C)cc(F)c2)CC1 ZINC001328554661 1148809753 /nfs/dbraw/zinc/80/97/53/1148809753.db2.gz LMKNYCXKJYKDNC-UHFFFAOYSA-N 0 3 320.408 2.267 20 30 DEEDHN COc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1-c1nnn[n-]1 ZINC001605283071 1070670800 /nfs/dbraw/zinc/67/08/00/1070670800.db2.gz DDBIECOJFPTBDP-UHFFFAOYSA-N 0 3 312.377 2.047 20 30 DEEDHN COc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1-c1nn[n-]n1 ZINC001605283071 1070670803 /nfs/dbraw/zinc/67/08/03/1070670803.db2.gz DDBIECOJFPTBDP-UHFFFAOYSA-N 0 3 312.377 2.047 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c2ccccc2nn1C ZINC001328781638 1148834167 /nfs/dbraw/zinc/83/41/67/1148834167.db2.gz UTYZELQGRQTDIR-AWEZNQCLSA-N 0 3 312.417 2.296 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001368546478 1148488125 /nfs/dbraw/zinc/48/81/25/1148488125.db2.gz FQANIDDHGNXLOS-GVXVVHGQSA-N 0 3 307.344 2.109 20 30 DEEDHN C=CCCCC(=O)NC1CC(CNCc2cc3n(n2)CCC3)C1 ZINC001328905981 1148846914 /nfs/dbraw/zinc/84/69/14/1148846914.db2.gz YSQKQXXCUHPTCF-UHFFFAOYSA-N 0 3 316.449 2.170 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001459796569 1058218124 /nfs/dbraw/zinc/21/81/24/1058218124.db2.gz JKMRLVSJWVLBQK-VNQPRFMTSA-N 0 3 322.355 2.079 20 30 DEEDHN N#Cc1ccnc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC001459847832 1058224323 /nfs/dbraw/zinc/22/43/23/1058224323.db2.gz PZKSPZVVFVPRRG-AWEZNQCLSA-N 0 3 308.389 2.328 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC001460153393 1058270953 /nfs/dbraw/zinc/27/09/53/1058270953.db2.gz YWDSEJZJCVNSDH-ROUUACIJSA-N 0 3 300.402 2.340 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)Nc1ccccc1 ZINC001328998343 1148855978 /nfs/dbraw/zinc/85/59/78/1148855978.db2.gz STQVISNPGDADEZ-KGLIPLIRSA-N 0 3 303.406 2.074 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC(=O)Nc1ccccc1 ZINC001328998344 1148856016 /nfs/dbraw/zinc/85/60/16/1148856016.db2.gz STQVISNPGDADEZ-UONOGXRCSA-N 0 3 303.406 2.074 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001328998890 1148856456 /nfs/dbraw/zinc/85/64/56/1148856456.db2.gz VPRWJZQNLINSOE-NEPJUHHUSA-N 0 3 307.442 2.051 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2nc(C)sc2C)CC1 ZINC001499990011 1058418241 /nfs/dbraw/zinc/41/82/41/1058418241.db2.gz PPWPFSOAUSWZQZ-UHFFFAOYSA-N 0 3 319.474 2.296 20 30 DEEDHN C#CCN(C(=O)C[C@H](OCC)C(=C)C)C1CCN(CC=C)CC1 ZINC001500038839 1058444918 /nfs/dbraw/zinc/44/49/18/1058444918.db2.gz CEZOWCIZFWDZAJ-SFHVURJKSA-N 0 3 318.461 2.470 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001500542622 1058911097 /nfs/dbraw/zinc/91/10/97/1058911097.db2.gz IGIBQNMSGMFYIY-SFHVURJKSA-N 0 3 314.433 2.142 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ncc[nH]1)c1ccccc1CC ZINC001501018660 1059204156 /nfs/dbraw/zinc/20/41/56/1059204156.db2.gz FREGHIKXFHZNRN-MRXNPFEDSA-N 0 3 310.401 2.056 20 30 DEEDHN CC1(C)CCN(S(=O)(=O)c2ccccc2C#N)CC(C)(C)N1 ZINC001464854570 1059215505 /nfs/dbraw/zinc/21/55/05/1059215505.db2.gz TXUHOXHGWFXMSA-UHFFFAOYSA-N 0 3 321.446 2.099 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNCc1cscn1 ZINC001501115005 1059298622 /nfs/dbraw/zinc/29/86/22/1059298622.db2.gz CWCWCJJWRHJDRT-UONOGXRCSA-N 0 3 319.474 2.377 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1CCCCN1CC ZINC001533519662 1071865903 /nfs/dbraw/zinc/86/59/03/1071865903.db2.gz MGIYLOLNXKYKFT-WLMCBFPDSA-N 0 3 321.465 2.006 20 30 DEEDHN C=CC[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(=O)OCC ZINC001466783226 1059534822 /nfs/dbraw/zinc/53/48/22/1059534822.db2.gz HUCQSTUTROJEEN-JKSUJKDBSA-N 0 3 322.449 2.408 20 30 DEEDHN C=CC[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(=O)OCC ZINC001466783225 1059535006 /nfs/dbraw/zinc/53/50/06/1059535006.db2.gz HUCQSTUTROJEEN-HZPDHXFCSA-N 0 3 322.449 2.408 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](CCN[C@@H](C)c2cnccn2)C1 ZINC001501565381 1059549278 /nfs/dbraw/zinc/54/92/78/1059549278.db2.gz HYFONKJJTBJWEJ-JKSUJKDBSA-N 0 3 314.433 2.025 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001467727579 1059690912 /nfs/dbraw/zinc/69/09/12/1059690912.db2.gz LRFGDCYYHBGWFA-CQSZACIVSA-N 0 3 320.481 2.182 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001502346769 1060060313 /nfs/dbraw/zinc/06/03/13/1060060313.db2.gz ZPHXWBOWCZWXIN-QGZVFWFLSA-N 0 3 306.450 2.163 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001502375677 1060084488 /nfs/dbraw/zinc/08/44/88/1060084488.db2.gz PYNBKRHCSVWBKQ-IAGOWNOFSA-N 0 3 308.466 2.099 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C(C)(C)C)o1 ZINC001470356309 1060086093 /nfs/dbraw/zinc/08/60/93/1060086093.db2.gz OQIKRPJSMIHLMP-UHFFFAOYSA-N 0 3 305.422 2.331 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC001502383640 1060096421 /nfs/dbraw/zinc/09/64/21/1060096421.db2.gz 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C#CCN1CCC(C)(CNC(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC001569700388 1065678663 /nfs/dbraw/zinc/67/86/63/1065678663.db2.gz YGKDZNFGSIHYPE-UHFFFAOYSA-N 0 3 316.449 2.172 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C(F)(F)F)ncn1 ZINC001496743583 1065683574 /nfs/dbraw/zinc/68/35/74/1065683574.db2.gz AXRKNHMZLPOBPS-UHFFFAOYSA-N 0 3 316.327 2.075 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncc3ccccn32)C1 ZINC001569715767 1065688132 /nfs/dbraw/zinc/68/81/32/1065688132.db2.gz JLFSHYYSBPWBEK-GOSISDBHSA-N 0 3 312.417 2.352 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001569724240 1065691090 /nfs/dbraw/zinc/69/10/90/1065691090.db2.gz SFOVRVKRJCUPOK-MSOLQXFVSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CN(C[C@@H](C)OC)CCC1(F)F ZINC001569739030 1065698886 /nfs/dbraw/zinc/69/88/86/1065698886.db2.gz NIOZQFWCOANLFW-OLZOCXBDSA-N 0 3 318.408 2.307 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CCOC(C)C)C2)CC1 ZINC001569797243 1065723157 /nfs/dbraw/zinc/72/31/57/1065723157.db2.gz 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/nfs/dbraw/zinc/92/86/57/1065928657.db2.gz JODAJXMZZFVRPJ-UHFFFAOYSA-N 0 3 314.429 2.198 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)c2c(F)cccc2F)CCC1 ZINC001570111736 1065928917 /nfs/dbraw/zinc/92/89/17/1065928917.db2.gz BCZLNEIXVPPLDW-LBPRGKRZSA-N 0 3 306.356 2.330 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CC=CCC2)CCC1 ZINC001570114297 1065929887 /nfs/dbraw/zinc/92/98/87/1065929887.db2.gz ZARTXZOMDHMBSA-INIZCTEOSA-N 0 3 304.434 2.011 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](F)Cc2ccccc2)CCC1 ZINC001570127720 1065935045 /nfs/dbraw/zinc/93/50/45/1065935045.db2.gz RBMMZYGCGOUUGS-INIZCTEOSA-N 0 3 302.393 2.219 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001497193568 1065954756 /nfs/dbraw/zinc/95/47/56/1065954756.db2.gz VDYJCMQVJLWHIE-CHWSQXEVSA-N 0 3 315.421 2.411 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CC(F)(F)C(F)F)CC1 ZINC001570183871 1065959139 /nfs/dbraw/zinc/95/91/39/1065959139.db2.gz SGSMJSROEJBUDC-LLVKDONJSA-N 0 3 308.319 2.271 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001497213601 1065966224 /nfs/dbraw/zinc/96/62/24/1065966224.db2.gz CCQYACMLJTXBRV-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(-n2cccc2)ccn1 ZINC001570215590 1065977383 /nfs/dbraw/zinc/97/73/83/1065977383.db2.gz IREUBZUOVPRXTC-UHFFFAOYSA-N 0 3 324.428 2.290 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001570333441 1066017599 /nfs/dbraw/zinc/01/75/99/1066017599.db2.gz ADPZTIPREMTCEL-QWHCGFSZSA-N 0 3 319.453 2.005 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC2(COC)CC2)C(C)(C)C1 ZINC001570393027 1066047612 /nfs/dbraw/zinc/04/76/12/1066047612.db2.gz BAKGKJFLEXKGGZ-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)C1 ZINC001570403874 1066053754 /nfs/dbraw/zinc/05/37/54/1066053754.db2.gz FAVHMQIAUJPDMH-ZWKOTPCHSA-N 0 3 319.493 2.073 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C[C@H](C)n2cccn2)C(C)(C)C1 ZINC001570400220 1066053987 /nfs/dbraw/zinc/05/39/87/1066053987.db2.gz UAMJXSWGLXRREK-JKSUJKDBSA-N 0 3 316.449 2.074 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCN(C2CN(CCCC)C2)CC1 ZINC001570402562 1066054004 /nfs/dbraw/zinc/05/40/04/1066054004.db2.gz JLSZKDXOVNHONX-UHFFFAOYSA-N 0 3 319.493 2.383 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CC)CCNCc1ccc(C)c(F)c1 ZINC001497377897 1066060848 /nfs/dbraw/zinc/06/08/48/1066060848.db2.gz UCLDYSHHMIXKLR-GOSISDBHSA-N 0 3 322.424 2.399 20 30 DEEDHN CCCCCCN1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001570481218 1066089810 /nfs/dbraw/zinc/08/98/10/1066089810.db2.gz PWJQARXCEDFQSN-MRXNPFEDSA-N 0 3 321.465 2.420 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)CC(C)(C)C2CC2)CC1 ZINC001570490483 1066093817 /nfs/dbraw/zinc/09/38/17/1066093817.db2.gz VXBGIPOCPZDFHU-UHFFFAOYSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(CC)CCN[C@H]1CCN(C(C)C)C1=O ZINC001497437656 1066094590 /nfs/dbraw/zinc/09/45/90/1066094590.db2.gz WKAFQBYZYVWITM-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC1(CC(=O)N(CC)CCN[C@H](C)C(=O)NC)CCCCC1 ZINC001497465904 1066107013 /nfs/dbraw/zinc/10/70/13/1066107013.db2.gz MSWHXDPWZJTJGQ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)SCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001497789499 1066312775 /nfs/dbraw/zinc/31/27/75/1066312775.db2.gz KKJTVFDVWSGSJV-GFCCVEGCSA-N 0 3 323.437 2.433 20 30 DEEDHN Cc1nn(C(C)C)cc1CNC[C@@H](C)NC(=O)C#CC(C)C ZINC001497811939 1066337331 /nfs/dbraw/zinc/33/73/31/1066337331.db2.gz FEQKPIFHFGNFJR-CQSZACIVSA-N 0 3 304.438 2.026 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CC12CCC2 ZINC001497922286 1066414735 /nfs/dbraw/zinc/41/47/35/1066414735.db2.gz MZXUTOHCCFPZJE-RHSMWYFYSA-N 0 3 314.404 2.462 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001497994831 1066449916 /nfs/dbraw/zinc/44/99/16/1066449916.db2.gz ORWXDIYZLUFECA-SJLPKXTDSA-N 0 3 306.450 2.257 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cccc(C(C)(C)C)c1 ZINC001498139266 1066523815 /nfs/dbraw/zinc/52/38/15/1066523815.db2.gz CLBLYRZMOZNJPI-HNNXBMFYSA-N 0 3 316.445 2.342 20 30 DEEDHN C[C@@](O)(CNC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC001576259001 1066538480 /nfs/dbraw/zinc/53/84/80/1066538480.db2.gz MBGCPIUCYYACSN-GDBMZVCRSA-N 0 3 323.824 2.075 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)CCc1ccnn1C ZINC001498392458 1066675496 /nfs/dbraw/zinc/67/54/96/1066675496.db2.gz FJGBNKKQKLZQKS-CQSZACIVSA-N 0 3 306.454 2.001 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)CCn1cc(Cl)cn1 ZINC001498659229 1066827028 /nfs/dbraw/zinc/82/70/28/1066827028.db2.gz WTCGYEWYTPZZFW-UHFFFAOYSA-N 0 3 319.236 2.117 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001498664013 1066828417 /nfs/dbraw/zinc/82/84/17/1066828417.db2.gz UNZZTJRKIGSTKY-HNNXBMFYSA-N 0 3 322.836 2.489 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCN(CC)C(=O)[C@@H]1CCCN1C ZINC001577555424 1066873786 /nfs/dbraw/zinc/87/37/86/1066873786.db2.gz PVMIOGXGMWLAHD-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CN[C@@H](C)c1n[nH]c(CC)n1)C1CC1 ZINC001498801525 1066898145 /nfs/dbraw/zinc/89/81/45/1066898145.db2.gz HQYFCFNOHXHFES-WCQYABFASA-N 0 3 319.453 2.125 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COc1cccc(C(C)=O)c1 ZINC001635753123 1078457907 /nfs/dbraw/zinc/45/79/07/1078457907.db2.gz HTOMUPBVVLPGKY-UHFFFAOYSA-N 0 3 318.417 2.234 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001499111166 1067103562 /nfs/dbraw/zinc/10/35/62/1067103562.db2.gz BHBWUEQLPHFSLE-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@H]1CNc2ccccc2[C@H]1O ZINC001578445003 1067104111 /nfs/dbraw/zinc/10/41/11/1067104111.db2.gz AZKLKVZXCLXFGI-GBESFXJTSA-N 0 3 323.396 2.051 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CC)CNC(=O)[C@@H]1CCCN1CCC ZINC001499142185 1067115780 /nfs/dbraw/zinc/11/57/80/1067115780.db2.gz YFWPAEGWKDEITE-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCC[C@H](C(=O)NC[C@H](C)NCC#CCOC)c1ccccc1 ZINC001266988073 1078483899 /nfs/dbraw/zinc/48/38/99/1078483899.db2.gz BLVCVOFZZIZEIZ-WMZOPIPTSA-N 0 3 316.445 2.314 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001266989717 1078484308 /nfs/dbraw/zinc/48/43/08/1078484308.db2.gz JKNATLAWZFYWSF-ZVZYQTTQSA-N 0 3 302.393 2.174 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](CC)Oc1ccccc1F ZINC001266986293 1078482820 /nfs/dbraw/zinc/48/28/20/1078482820.db2.gz WMZQWCZREJDMTC-ZFWWWQNUSA-N 0 3 306.381 2.101 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1sc(Cl)nc1Cl ZINC001266992726 1078485576 /nfs/dbraw/zinc/48/55/76/1078485576.db2.gz DLHRXKIPERWXEL-ZETCQYMHSA-N 0 3 306.218 2.181 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC001499538654 1067250146 /nfs/dbraw/zinc/25/01/46/1067250146.db2.gz JELCWPCAKRUKRW-MRXNPFEDSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](OC)[C@@H](C)CC)C2)CC1 ZINC001499581618 1067267262 /nfs/dbraw/zinc/26/72/62/1067267262.db2.gz CPORTRHJOQNNPU-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)C[C@H](C)C(F)(F)F)C2)C1 ZINC001499614251 1067280290 /nfs/dbraw/zinc/28/02/90/1067280290.db2.gz LNOSMDDOYHBARK-JSGCOSHPSA-N 0 3 302.340 2.133 20 30 DEEDHN Cc1c(C(F)(F)F)nn(C)c1NC(=O)[C@@H](N)CCCCC#N ZINC001579527846 1067362188 /nfs/dbraw/zinc/36/21/88/1067362188.db2.gz CSCCJBOTZJIJMM-VIFPVBQESA-N 0 3 317.315 2.097 20 30 DEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cccc1NC(=O)N(C)C ZINC001579538036 1067365289 /nfs/dbraw/zinc/36/52/89/1067365289.db2.gz MMVYFHDIDMEWOG-GFCCVEGCSA-N 0 3 317.393 2.048 20 30 DEEDHN Cn1c2cc(F)ccc2nc1NC(=O)[C@H](N)CCCCC#N ZINC001579948082 1067460480 /nfs/dbraw/zinc/46/04/80/1067460480.db2.gz GYSVIOVPDXMSMK-LLVKDONJSA-N 0 3 303.341 2.062 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001580072398 1067489734 /nfs/dbraw/zinc/48/97/34/1067489734.db2.gz QUGUIIVHGFLAAT-BZUAXINKSA-N 0 3 316.380 2.016 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)C1CCC(OC)CC1 ZINC001483487958 1078565413 /nfs/dbraw/zinc/56/54/13/1078565413.db2.gz HYUVLQPYHMGQHT-UHFFFAOYSA-N 0 3 302.846 2.382 20 30 DEEDHN N#CCSCC(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001483544575 1078590003 /nfs/dbraw/zinc/59/00/03/1078590003.db2.gz ADMKWWBEVPUIMX-OAHLLOKOSA-N 0 3 321.421 2.067 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(CCC)on2)C1 ZINC001267113176 1078590526 /nfs/dbraw/zinc/59/05/26/1078590526.db2.gz FVZYDCZOTMUTNX-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN C[C@H](CCNC(=O)C(=O)C(C)(C)C)NCc1ccccc1C#N ZINC001267122387 1078599084 /nfs/dbraw/zinc/59/90/84/1078599084.db2.gz IXYIZUVHDNVIBB-CYBMUJFWSA-N 0 3 315.417 2.158 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H](C)CN(C)C(=O)[C@@H](C)C#N ZINC001369231533 1148875743 /nfs/dbraw/zinc/87/57/43/1148875743.db2.gz FKDSNGCOQDLTFL-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cncc(OC)c1C ZINC001570534869 1067990861 /nfs/dbraw/zinc/99/08/61/1067990861.db2.gz RWMYNMDEYPGBPS-AWEZNQCLSA-N 0 3 303.406 2.121 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CN(C)CCn1cccn1 ZINC001570538031 1067993303 /nfs/dbraw/zinc/99/33/03/1067993303.db2.gz JUMFAVJDGLCBRQ-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(CC)c[nH]c1=O ZINC001570544294 1067997831 /nfs/dbraw/zinc/99/78/31/1067997831.db2.gz UFHWWBNQWLOXSF-AWEZNQCLSA-N 0 3 303.406 2.072 20 30 DEEDHN CCc1cc(C(=O)N[C@@H](C)[C@@H](C)NCC#Cc2ccccc2)[nH]n1 ZINC001570590259 1068024059 /nfs/dbraw/zinc/02/40/59/1068024059.db2.gz NVKYZHZRROPJSU-CABCVRRESA-N 0 3 324.428 2.120 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001570702180 1068077474 /nfs/dbraw/zinc/07/74/74/1068077474.db2.gz MJXDIXNLJJMGCF-AWEZNQCLSA-N 0 3 308.397 2.273 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H](C)N(C)CCOCC)CCCCC1 ZINC001570753316 1068109481 /nfs/dbraw/zinc/10/94/81/1068109481.db2.gz HCIKAJWDJQQTON-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@H](NCc1cnns1)C(C)C ZINC001570775950 1068116006 /nfs/dbraw/zinc/11/60/06/1068116006.db2.gz YRVPQRDSAANIOS-HNNXBMFYSA-N 0 3 322.478 2.160 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)C(C)(C)C1 ZINC001570894838 1068152972 /nfs/dbraw/zinc/15/29/72/1068152972.db2.gz KCAOCZTUMXVSKX-XITLMJRVSA-N 0 3 317.433 2.057 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C[C@H](C)C2CC2)C(C)(C)C1 ZINC001570908976 1068157341 /nfs/dbraw/zinc/15/73/41/1068157341.db2.gz ALJIHXUQKZAPHQ-GOEBONIOSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)c3ccsc3)[C@@H]2C1 ZINC001570951966 1068165383 /nfs/dbraw/zinc/16/53/83/1068165383.db2.gz GBRICDCNGUUPFT-QCEMKRCNSA-N 0 3 302.443 2.169 20 30 DEEDHN COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)CC(C)C)[C@@H]2C1 ZINC001570958932 1068166353 /nfs/dbraw/zinc/16/63/53/1068166353.db2.gz TYSXJAZKQGAIHL-TVFCKZIOSA-N 0 3 320.477 2.003 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)NC/C=C/Cl)C1 ZINC001570987586 1068170046 /nfs/dbraw/zinc/17/00/46/1068170046.db2.gz SRMWSSWBIAMWBH-XKZLPGLHSA-N 0 3 300.830 2.157 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)NC/C=C\Cl)C1 ZINC001570987583 1068170379 /nfs/dbraw/zinc/17/03/79/1068170379.db2.gz SRMWSSWBIAMWBH-FAVCKAPTSA-N 0 3 300.830 2.157 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CN(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001510671362 1068173198 /nfs/dbraw/zinc/17/31/98/1068173198.db2.gz FODJRBBWPKSVRD-ZBFHGGJFSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001571277175 1068209392 /nfs/dbraw/zinc/20/93/92/1068209392.db2.gz KKUFXXOFQYNWQJ-UONOGXRCSA-N 0 3 324.856 2.073 20 30 DEEDHN Cc1ccc(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)cn1 ZINC001571377031 1068258304 /nfs/dbraw/zinc/25/83/04/1068258304.db2.gz DKTXOPUAHLMNGQ-KRWDZBQOSA-N 0 3 321.424 2.492 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001571379691 1068262797 /nfs/dbraw/zinc/26/27/97/1068262797.db2.gz AYWSIPSHIIACGJ-AWEZNQCLSA-N 0 3 315.417 2.470 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001571397797 1068273682 /nfs/dbraw/zinc/27/36/82/1068273682.db2.gz HLBYAENZBSVQAK-RDJZCZTQSA-N 0 3 314.429 2.239 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1c(F)cccc1Cl ZINC001267227106 1078680277 /nfs/dbraw/zinc/68/02/77/1078680277.db2.gz COSFVCKBTUAABY-UHFFFAOYSA-N 0 3 314.788 2.343 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnn(C2CCCC2)c1C ZINC001571413123 1068283358 /nfs/dbraw/zinc/28/33/58/1068283358.db2.gz MPTKQMGQHPFKJC-AWEZNQCLSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CO)NCc1cc(C)cc(C)c1 ZINC001571429888 1068289029 /nfs/dbraw/zinc/28/90/29/1068289029.db2.gz MHMQVQJGQVGHQK-QGZVFWFLSA-N 0 3 318.461 2.472 20 30 DEEDHN CCOCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001571472505 1068322442 /nfs/dbraw/zinc/32/24/42/1068322442.db2.gz FDXHGFWNFVEESV-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001571480838 1068334217 /nfs/dbraw/zinc/33/42/17/1068334217.db2.gz IJQXBGVVKYBHQV-GDBMZVCRSA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001571489454 1068344931 /nfs/dbraw/zinc/34/49/31/1068344931.db2.gz QLNZGRMDWYWZQA-CVEARBPZSA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001571491312 1068347717 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C=CCOCCN1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001267275856 1078723032 /nfs/dbraw/zinc/72/30/32/1078723032.db2.gz IXRNEPMXWUHEMU-JZXOWHBKSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)C(=O)CN(C)CCC)C1 ZINC001512481764 1068565073 /nfs/dbraw/zinc/56/50/73/1068565073.db2.gz MAEBGJRHQGMUTL-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCOc2ccccc2C)C1 ZINC001267306262 1078752090 /nfs/dbraw/zinc/75/20/90/1078752090.db2.gz SPOOWZGTDJQGGJ-KRWDZBQOSA-N 0 3 314.429 2.225 20 30 DEEDHN C=CCN(CCNC(=O)c1cnc([C@H]2CCCO2)s1)C1CC1 ZINC001267333973 1078773482 /nfs/dbraw/zinc/77/34/82/1078773482.db2.gz SNUARSULKIOPGA-CYBMUJFWSA-N 0 3 321.446 2.375 20 30 DEEDHN C=CCN(CCNC(=O)CC(F)(F)C(F)(F)F)C1CC1 ZINC001267338190 1078775924 /nfs/dbraw/zinc/77/59/24/1078775924.db2.gz GSXJDWUIOAUQML-UHFFFAOYSA-N 0 3 300.271 2.341 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC001514884912 1068797809 /nfs/dbraw/zinc/79/78/09/1068797809.db2.gz 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C=CCCC(=O)N1CC[C@H](NCc2cc3n(n2)CCC3)C[C@@H]1C ZINC001671217150 1078862361 /nfs/dbraw/zinc/86/23/61/1078862361.db2.gz IIWZFEFGLRCRLZ-GJZGRUSLSA-N 0 3 316.449 2.265 20 30 DEEDHN COc1cccc([C@H](C)NC2(CNC(=O)[C@H](C)C#N)CC2)c1 ZINC001483723351 1078875847 /nfs/dbraw/zinc/87/58/47/1078875847.db2.gz LPXHPFPRCVSDLK-OLZOCXBDSA-N 0 3 301.390 2.154 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC001521482563 1069245863 /nfs/dbraw/zinc/24/58/63/1069245863.db2.gz PLSLNMRZMKWMOO-OAHLLOKOSA-N 0 3 323.387 2.297 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001521496613 1069246238 /nfs/dbraw/zinc/24/62/38/1069246238.db2.gz WRJXWWFKYLEQEN-INIZCTEOSA-N 0 3 322.497 2.153 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2ccc(F)cn2)C1 ZINC001267465034 1078877135 /nfs/dbraw/zinc/87/71/35/1078877135.db2.gz BTGYSZICOKADSW-QGZVFWFLSA-N 0 3 317.408 2.099 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc2c(c1)CCCC2 ZINC001480943432 1078877882 /nfs/dbraw/zinc/87/78/82/1078877882.db2.gz 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1078908411 /nfs/dbraw/zinc/90/84/11/1078908411.db2.gz FOZOTDQOLAMTCR-QAPCUYQASA-N 0 3 324.465 2.238 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(Cc2ccnn2C)C(C)C)C1 ZINC001267509338 1078938976 /nfs/dbraw/zinc/93/89/76/1078938976.db2.gz RJECBQFUZCNTED-UHFFFAOYSA-N 0 3 318.465 2.493 20 30 DEEDHN N#CCCCNC(=O)[C@H]1CC12CCN(Cc1ccco1)CC2 ZINC001272580332 1078979718 /nfs/dbraw/zinc/97/97/18/1078979718.db2.gz DUQMVXODNUCTKJ-OAHLLOKOSA-N 0 3 301.390 2.302 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H]2CCN(CCF)C2)CCOCC1 ZINC001267566628 1079000654 /nfs/dbraw/zinc/00/06/54/1079000654.db2.gz FUVLJQCXQOZJJO-HNNXBMFYSA-N 0 3 312.429 2.157 20 30 DEEDHN C#CCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618153 1079015325 /nfs/dbraw/zinc/01/53/25/1079015325.db2.gz CDBKPQDIGRVDGC-IBGZPJMESA-N 0 3 312.413 2.230 20 30 DEEDHN C#CCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618153 1079015333 /nfs/dbraw/zinc/01/53/33/1079015333.db2.gz CDBKPQDIGRVDGC-IBGZPJMESA-N 0 3 312.413 2.230 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001267570397 1079024765 /nfs/dbraw/zinc/02/47/65/1079024765.db2.gz OECAIJUMFMCSMK-FUHWJXTLSA-N 0 3 306.450 2.067 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H]2CCN(CC#CCOC)C2)CC1 ZINC001267570829 1079029599 /nfs/dbraw/zinc/02/95/99/1079029599.db2.gz SVZITYUVAJRFIG-KRWDZBQOSA-N 0 3 318.461 2.211 20 30 DEEDHN CC#CCCCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483759858 1079079621 /nfs/dbraw/zinc/07/96/21/1079079621.db2.gz DHZTZFUFWPPHKM-UHFFFAOYSA-N 0 3 309.413 2.490 20 30 DEEDHN CC#CCCCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483759841 1079079040 /nfs/dbraw/zinc/07/90/40/1079079040.db2.gz CYPOOOZKGIQAGX-UHFFFAOYSA-N 0 3 309.413 2.490 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC001483768872 1079094182 /nfs/dbraw/zinc/09/41/82/1079094182.db2.gz PCWLDYAOJQSXFX-CQSZACIVSA-N 0 3 302.393 2.266 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)nc1 ZINC001267596321 1079113908 /nfs/dbraw/zinc/11/39/08/1079113908.db2.gz YEGHUTIXRCXGHX-JBGNVSFKSA-N 0 3 317.820 2.257 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CC1CCOCC1)C(C)C ZINC001419858215 1079114070 /nfs/dbraw/zinc/11/40/70/1079114070.db2.gz BWCDGTDZFWSFNY-AWEZNQCLSA-N 0 3 302.846 2.286 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001481047112 1079123012 /nfs/dbraw/zinc/12/30/12/1079123012.db2.gz TVIYMZWLBWSACU-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051735 1079129804 /nfs/dbraw/zinc/12/98/04/1079129804.db2.gz GLVHFTASHAHZMU-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051735 1079129806 /nfs/dbraw/zinc/12/98/06/1079129806.db2.gz GLVHFTASHAHZMU-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCOC ZINC001483811895 1079136573 /nfs/dbraw/zinc/13/65/73/1079136573.db2.gz FJGYTCHWKUWFFG-ZACQAIPSSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H]1CCCN1CCOC)c1ccccc1 ZINC001481072229 1079149957 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C=CCCN1CCN(CCN(C)C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001267617905 1079267375 /nfs/dbraw/zinc/26/73/75/1079267375.db2.gz HVYDYHVQXSNUIL-DLBZAZTESA-N 0 3 309.498 2.321 20 30 DEEDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C)c(C#N)c2)C1(C)C ZINC001646795613 1074622048 /nfs/dbraw/zinc/62/20/48/1074622048.db2.gz ABHFFTFVUYKRRH-CRAIPNDOSA-N 0 3 315.417 2.015 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1cc(Cl)ccc1C ZINC001647018225 1074770146 /nfs/dbraw/zinc/77/01/46/1074770146.db2.gz FUYZDGLKVOFUME-UHFFFAOYSA-N 0 3 308.809 2.099 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2c3ccccc3nn2C)CC1 ZINC001484144934 1079321578 /nfs/dbraw/zinc/32/15/78/1079321578.db2.gz NECMJIPYFSEOME-UHFFFAOYSA-N 0 3 324.428 2.038 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC001484145978 1079323054 /nfs/dbraw/zinc/32/30/54/1079323054.db2.gz NQXFKFFVMPMMGZ-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001484145977 1079323505 /nfs/dbraw/zinc/32/35/05/1079323505.db2.gz NQXFKFFVMPMMGZ-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2cn(C)nc2C)C1 ZINC001484170692 1079343184 /nfs/dbraw/zinc/34/31/84/1079343184.db2.gz WHKUHCMSLKKSRT-SFHVURJKSA-N 0 3 318.465 2.065 20 30 DEEDHN CCn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)CC#N ZINC001647707984 1074975559 /nfs/dbraw/zinc/97/55/59/1074975559.db2.gz UKPJXGHIWYKDIB-ZIAGYGMSSA-N 0 3 318.469 2.408 20 30 DEEDHN C=CCC[C@@H](C(=O)N1CC(N[C@@H]2CCOC2)C1)c1ccccc1 ZINC001647773027 1074981333 /nfs/dbraw/zinc/98/13/33/1074981333.db2.gz LGECEAOJCDHTNL-SJLPKXTDSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001556466531 1075032459 /nfs/dbraw/zinc/03/24/59/1075032459.db2.gz CFGZAKWFOJFHIP-UHFFFAOYSA-N 0 3 319.434 2.113 20 30 DEEDHN C#C[C@H](CO)NC1CC(c2ccc(Br)cc2F)C1 ZINC001560951978 1075148689 /nfs/dbraw/zinc/14/86/89/1075148689.db2.gz WUEYWGANMJIYLD-CKBZRRDASA-N 0 3 312.182 2.418 20 30 DEEDHN Cc1ccccc1[C@H](C)N1CC(CNC(=O)CSCC#N)C1 ZINC001267675011 1079364212 /nfs/dbraw/zinc/36/42/12/1079364212.db2.gz YNUHHFWBLVRONC-AWEZNQCLSA-N 0 3 317.458 2.361 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001565829951 1075192259 /nfs/dbraw/zinc/19/22/59/1075192259.db2.gz QFJBAIOWCSEODB-HNNXBMFYSA-N 0 3 302.422 2.206 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cn1nc(C)c(Cl)c1C ZINC001565833223 1075193201 /nfs/dbraw/zinc/19/32/01/1075193201.db2.gz LOUCSRCYLKLXEY-AWEZNQCLSA-N 0 3 324.856 2.262 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2sccc2CC)C1 ZINC001484252706 1079369746 /nfs/dbraw/zinc/36/97/46/1079369746.db2.gz OYMVBSJAKYTOFT-MRXNPFEDSA-N 0 3 308.447 2.053 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)[C@H]1CC ZINC001566030012 1075218398 /nfs/dbraw/zinc/21/83/98/1075218398.db2.gz YKRWGVIRZHVGSU-GVDBMIGSSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001566453572 1075248772 /nfs/dbraw/zinc/24/87/72/1075248772.db2.gz PJAYDVRWWFPTAK-CABCVRRESA-N 0 3 320.408 2.363 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001566524516 1075269274 /nfs/dbraw/zinc/26/92/74/1075269274.db2.gz CWMPFVJIYFPCMC-MMJTVPDGSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC#CCOC)C1CC1 ZINC001566593529 1075291839 /nfs/dbraw/zinc/29/18/39/1075291839.db2.gz CUBYWUFKYDJAQU-UHFFFAOYSA-N 0 3 306.450 2.209 20 30 DEEDHN N#CCSCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001566617852 1075298590 /nfs/dbraw/zinc/29/85/90/1075298590.db2.gz MGVKFBXESYQZTK-MRXNPFEDSA-N 0 3 317.458 2.066 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)COCC2CCCC2)CC1 ZINC001566689942 1075318525 /nfs/dbraw/zinc/31/85/25/1075318525.db2.gz XMKSEKQMHCVFBH-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN Cc1coc(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)c1 ZINC001566800926 1075348102 /nfs/dbraw/zinc/34/81/02/1075348102.db2.gz KYWXPXICMRGOEL-QAQDUYKDSA-N 0 3 308.381 2.490 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC)n1 ZINC001267705291 1079392776 /nfs/dbraw/zinc/39/27/76/1079392776.db2.gz UYALMFXNXZMPAD-RDBSUJKOSA-N 0 3 303.406 2.490 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC2(CC2)CC1 ZINC001267706806 1079394300 /nfs/dbraw/zinc/39/43/00/1079394300.db2.gz IHZUPHVIMGRMAC-IRXDYDNUSA-N 0 3 318.461 2.445 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CNCc2ocnc2C)C1 ZINC001566888895 1075374625 /nfs/dbraw/zinc/37/46/25/1075374625.db2.gz NFQMQMZNEJZXOM-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCCc1nc(C)no1 ZINC001566929809 1075390700 /nfs/dbraw/zinc/39/07/00/1075390700.db2.gz JOBAHUQEZCXGSW-HNNXBMFYSA-N 0 3 320.437 2.248 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1nc(C)cc1C ZINC001267711406 1079398999 /nfs/dbraw/zinc/39/89/99/1079398999.db2.gz VKSZFRMVYHBHCQ-IRXDYDNUSA-N 0 3 316.449 2.141 20 30 DEEDHN C#CCCCC(=O)NC1CCC(NCc2cc(C)no2)CC1 ZINC001566981703 1075407311 /nfs/dbraw/zinc/40/73/11/1075407311.db2.gz JITNZUXYYXCNNV-UHFFFAOYSA-N 0 3 303.406 2.304 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](CNCc3nccn3C)C2)CCC1 ZINC001567140212 1075442607 /nfs/dbraw/zinc/44/26/07/1075442607.db2.gz JVXGKRUPGLCAHX-OAHLLOKOSA-N 0 3 316.449 2.105 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@@H](C)NCc2nccn2C)CC1 ZINC001567228918 1075469068 /nfs/dbraw/zinc/46/90/68/1075469068.db2.gz KNUQUBCBBUZSPT-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001267723297 1079411934 /nfs/dbraw/zinc/41/19/34/1079411934.db2.gz WOLROUPFBYLOCQ-KRWDZBQOSA-N 0 3 302.418 2.197 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCNC(=O)[C@H]1CCCN1C(C)C ZINC001580771483 1075991655 /nfs/dbraw/zinc/99/16/55/1075991655.db2.gz HFAFEHSFILTYCN-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001584281004 1076293217 /nfs/dbraw/zinc/29/32/17/1076293217.db2.gz ZGYROUSSEBGWBB-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCSCC[NH2+][C@@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588364138 1076443472 /nfs/dbraw/zinc/44/34/72/1076443472.db2.gz WDRLJTRXMVFOPF-AWEZNQCLSA-N 0 3 301.419 2.274 20 30 DEEDHN C#CCSCC[NH2+][C@@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588364138 1076443474 /nfs/dbraw/zinc/44/34/74/1076443474.db2.gz WDRLJTRXMVFOPF-AWEZNQCLSA-N 0 3 301.419 2.274 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579003 1076455232 /nfs/dbraw/zinc/45/52/32/1076455232.db2.gz IQGSKXRDUWAKRK-DOMZBBRYSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579003 1076455234 /nfs/dbraw/zinc/45/52/34/1076455234.db2.gz IQGSKXRDUWAKRK-DOMZBBRYSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579003 1076455236 /nfs/dbraw/zinc/45/52/36/1076455236.db2.gz IQGSKXRDUWAKRK-DOMZBBRYSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579003 1076455238 /nfs/dbraw/zinc/45/52/38/1076455238.db2.gz IQGSKXRDUWAKRK-DOMZBBRYSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582795 1076456278 /nfs/dbraw/zinc/45/62/78/1076456278.db2.gz OOGOYOBJDZQRKO-HOTGVXAUSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582795 1076456280 /nfs/dbraw/zinc/45/62/80/1076456280.db2.gz OOGOYOBJDZQRKO-HOTGVXAUSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582795 1076456284 /nfs/dbraw/zinc/45/62/84/1076456284.db2.gz OOGOYOBJDZQRKO-HOTGVXAUSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582795 1076456287 /nfs/dbraw/zinc/45/62/87/1076456287.db2.gz OOGOYOBJDZQRKO-HOTGVXAUSA-N 0 3 313.405 2.331 20 30 DEEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589273161 1076483518 /nfs/dbraw/zinc/48/35/18/1076483518.db2.gz WXLIAFIAULVZOU-UHFFFAOYSA-N 0 3 302.357 2.425 20 30 DEEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589273161 1076483522 /nfs/dbraw/zinc/48/35/22/1076483522.db2.gz WXLIAFIAULVZOU-UHFFFAOYSA-N 0 3 302.357 2.425 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)CCc1nc2ccccc2[nH]1 ZINC001329485779 1148899734 /nfs/dbraw/zinc/89/97/34/1148899734.db2.gz DPNAHRFMPPHJNY-CYBMUJFWSA-N 0 3 300.406 2.118 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NCc2nccn2C)C1 ZINC001484338633 1079548223 /nfs/dbraw/zinc/54/82/23/1079548223.db2.gz MEOJULURARDEJQ-GJZGRUSLSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1(CCF)CC1 ZINC001484398554 1079586814 /nfs/dbraw/zinc/58/68/14/1079586814.db2.gz CHWNQLHZDHRXAS-UHFFFAOYSA-N 0 3 302.393 2.378 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC001484392747 1079587706 /nfs/dbraw/zinc/58/77/06/1079587706.db2.gz BPTQWRHXWUFASC-IHRRRGAJSA-N 0 3 320.462 2.315 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccccc2C)C1 ZINC001484426337 1079608595 /nfs/dbraw/zinc/60/85/95/1079608595.db2.gz LVJVNHBTJYZHLT-SFHVURJKSA-N 0 3 302.418 2.128 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC001650441354 1079626647 /nfs/dbraw/zinc/62/66/47/1079626647.db2.gz LGGFJOKBJQYGQT-AAEUAGOBSA-N 0 3 308.341 2.112 20 30 DEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1cncnc1C1CC1 ZINC001650494942 1079665716 /nfs/dbraw/zinc/66/57/16/1079665716.db2.gz DSICJHBCQHVQTA-VIFPVBQESA-N 0 3 301.737 2.231 20 30 DEEDHN CCCc1nc(C)c(CNC[C@@H](C)CNC(=O)C#CC2CC2)o1 ZINC001267986689 1079667424 /nfs/dbraw/zinc/66/74/24/1079667424.db2.gz VFUWPXHFOPAJTQ-CYBMUJFWSA-N 0 3 317.433 2.191 20 30 DEEDHN COC(=O)N1CCC(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001650518836 1079686468 /nfs/dbraw/zinc/68/64/68/1079686468.db2.gz GAWIZNBRSGZXRR-LLVKDONJSA-N 0 3 323.299 2.014 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H]2CCc3cc(F)ccc32)CCC1 ZINC001484642764 1079701821 /nfs/dbraw/zinc/70/18/21/1079701821.db2.gz MSVUIXPCTOXRIV-INIZCTEOSA-N 0 3 300.377 2.117 20 30 DEEDHN CCC[C@H]1CCC[C@@H]1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001484640037 1079706013 /nfs/dbraw/zinc/70/60/13/1079706013.db2.gz DKWVQFPEWBIOJS-IRXDYDNUSA-N 0 3 320.477 2.481 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccccc1OCC1CC1 ZINC001481317486 1079713123 /nfs/dbraw/zinc/71/31/23/1079713123.db2.gz GQFYUCZMFHLRKA-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)COc2ccccc2CC)CC1 ZINC001484727702 1079752444 /nfs/dbraw/zinc/75/24/44/1079752444.db2.gz UJOQPOHSNFLQAA-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1noc2ccccc21 ZINC001484749601 1079779424 /nfs/dbraw/zinc/77/94/24/1079779424.db2.gz QNRSEQJBAIHONV-UHFFFAOYSA-N 0 3 313.401 2.174 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@](CO)(NC/C=C\Cl)C1 ZINC001484848789 1079822842 /nfs/dbraw/zinc/82/28/42/1079822842.db2.gz ZQFYLXCFIVAVOK-WUKHSURWSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)Cn3ccnc3)cc2C1 ZINC001484876089 1079833541 /nfs/dbraw/zinc/83/35/41/1079833541.db2.gz QNIIPYQNVWOMOV-UHFFFAOYSA-N 0 3 310.401 2.091 20 30 DEEDHN C[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NCC#Cc1ccc(F)cc1 ZINC001484886492 1079836708 /nfs/dbraw/zinc/83/67/08/1079836708.db2.gz DITXRIKAJLDRCT-YOEHRIQHSA-N 0 3 314.404 2.414 20 30 DEEDHN COCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001484968606 1079885003 /nfs/dbraw/zinc/88/50/03/1079885003.db2.gz JIKGPBVOZIEGIX-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1cccnc1OC ZINC001484996814 1079905200 /nfs/dbraw/zinc/90/52/00/1079905200.db2.gz RMIIMDFJHMXETB-ZDUSSCGKSA-N 0 3 305.422 2.287 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc2cccn2cn1 ZINC001484994175 1079910310 /nfs/dbraw/zinc/91/03/10/1079910310.db2.gz DULGWNSQSFTUAD-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2sccc2C)CC1 ZINC001481464538 1079913929 /nfs/dbraw/zinc/91/39/29/1079913929.db2.gz HRFMMKTUYIZCNJ-UHFFFAOYSA-N 0 3 321.490 2.322 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001481471036 1079924817 /nfs/dbraw/zinc/92/48/17/1079924817.db2.gz KEFCVFONHPOYNO-QZTJIDSGSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001481480232 1079935647 /nfs/dbraw/zinc/93/56/47/1079935647.db2.gz SBGAYMGAMYQKCS-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)COc1ccc(F)c(F)c1 ZINC001485080836 1079970798 /nfs/dbraw/zinc/97/07/98/1079970798.db2.gz WJGVAPYGUPPFJN-ZDUSSCGKSA-N 0 3 324.371 2.452 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001656106266 1080045869 /nfs/dbraw/zinc/04/58/69/1080045869.db2.gz VZXKPAPUSJDUNU-OAHLLOKOSA-N 0 3 314.433 2.467 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1C[C@@H](NCc2ccns2)C1 ZINC001656129112 1080051699 /nfs/dbraw/zinc/05/16/99/1080051699.db2.gz POANDBHCSDMNFA-OKILXGFUSA-N 0 3 305.447 2.321 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCOC)C1 ZINC001656244976 1080071553 /nfs/dbraw/zinc/07/15/53/1080071553.db2.gz RLJBVEHKGMKRGJ-DLBZAZTESA-N 0 3 302.418 2.183 20 30 DEEDHN COCC#CCN1CCC2(C[C@H](C)N(C(=O)C=C(C)C)C2)CC1 ZINC001656394137 1080084768 /nfs/dbraw/zinc/08/47/68/1080084768.db2.gz QZQDKHSDEKWMLX-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC001268145760 1080116125 /nfs/dbraw/zinc/11/61/25/1080116125.db2.gz RHIYVLAMNXFREQ-KBPBESRZSA-N 0 3 300.830 2.279 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001268151216 1080123694 /nfs/dbraw/zinc/12/36/94/1080123694.db2.gz PMYSQCVLMRHDIW-OAHLLOKOSA-N 0 3 305.422 2.381 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485293853 1080123824 /nfs/dbraw/zinc/12/38/24/1080123824.db2.gz RYKMEBAOZQJIIS-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1cccc(C#N)c1 ZINC001485294550 1080123880 /nfs/dbraw/zinc/12/38/80/1080123880.db2.gz GCYUSSCABSPHDE-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)co1 ZINC001485295501 1080125032 /nfs/dbraw/zinc/12/50/32/1080125032.db2.gz PCBUWYSSRIDYMR-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001268160453 1080138025 /nfs/dbraw/zinc/13/80/25/1080138025.db2.gz SVEBEXMVNCFVCJ-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCCCNCc1nc2c(s1)CCN(C(=O)COCC)C2 ZINC001657082786 1080153244 /nfs/dbraw/zinc/15/32/44/1080153244.db2.gz LPDILLCSMVGKKX-UHFFFAOYSA-N 0 3 323.462 2.120 20 30 DEEDHN C=CCC(CC=C)C(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001481627585 1080157511 /nfs/dbraw/zinc/15/75/11/1080157511.db2.gz VQLDUXYGGQSHKP-QGZVFWFLSA-N 0 3 306.450 2.372 20 30 DEEDHN C#CCOCCN(C)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001658114531 1080196236 /nfs/dbraw/zinc/19/62/36/1080196236.db2.gz TXUYCAIUAGEBGJ-AWEZNQCLSA-N 0 3 301.308 2.320 20 30 DEEDHN C=CCCCC(=O)NC1(CNCc2cnnn2C)CCCCC1 ZINC001485455062 1080216664 /nfs/dbraw/zinc/21/66/64/1080216664.db2.gz QUXFNALDVZUOIG-UHFFFAOYSA-N 0 3 319.453 2.080 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001268256374 1080235887 /nfs/dbraw/zinc/23/58/87/1080235887.db2.gz SPPJXCTYMZSNOY-CQSZACIVSA-N 0 3 304.438 2.045 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001481648692 1080238491 /nfs/dbraw/zinc/23/84/91/1080238491.db2.gz XYCJCLRAOXWWPC-UHFFFAOYSA-N 0 3 314.404 2.220 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(C)CCOCC2)cc1 ZINC001272700027 1080249078 /nfs/dbraw/zinc/24/90/78/1080249078.db2.gz FXJQBWNTGDJHGC-OAHLLOKOSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCn2ccc3ccccc32)C1 ZINC001481658998 1080262994 /nfs/dbraw/zinc/26/29/94/1080262994.db2.gz MZVCSPRIXBGJGG-UHFFFAOYSA-N 0 3 309.413 2.103 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H](C)C2CN(CC)C2)cc1 ZINC001485501742 1080263532 /nfs/dbraw/zinc/26/35/32/1080263532.db2.gz AULUDQPCCQCUFX-AWEZNQCLSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCc2nc(C)cs2)C1 ZINC001485511233 1080270256 /nfs/dbraw/zinc/27/02/56/1080270256.db2.gz KDWSMGOUYLBPNP-ZDUSSCGKSA-N 0 3 307.463 2.397 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001485564729 1080307778 /nfs/dbraw/zinc/30/77/78/1080307778.db2.gz QBYYJXOBJRXYPZ-QFBILLFUSA-N 0 3 316.445 2.340 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001481702918 1080321416 /nfs/dbraw/zinc/32/14/16/1080321416.db2.gz ZFKJPYCYTYQIAP-GFCCVEGCSA-N 0 3 320.355 2.112 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3c(C)noc3C)C[C@H]21 ZINC001485614675 1080333697 /nfs/dbraw/zinc/33/36/97/1080333697.db2.gz PUGAJDUTFVDILV-XGBSXSJOSA-N 0 3 317.433 2.442 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)OCC(C)C)C[C@]2(C)C1 ZINC001485666688 1080355156 /nfs/dbraw/zinc/35/51/56/1080355156.db2.gz QKFHSZUEPWLGJY-QRQLOZEOSA-N 0 3 320.477 2.241 20 30 DEEDHN C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001268365601 1080376150 /nfs/dbraw/zinc/37/61/50/1080376150.db2.gz GVUWSELYIQRVKE-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc2ccccc2n1 ZINC001268374409 1080389810 /nfs/dbraw/zinc/38/98/10/1080389810.db2.gz VLXROBKLDVNQBE-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(OCC)cc1)C1CC1 ZINC001660749228 1080390920 /nfs/dbraw/zinc/39/09/20/1080390920.db2.gz JKWOOIOOMGYISW-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN Cc1noc(C)c1CNCCC[C@@H](C)NC(=O)C#CC1CC1 ZINC001485721862 1080390977 /nfs/dbraw/zinc/39/09/77/1080390977.db2.gz XFMCCTHPOAEEDU-GFCCVEGCSA-N 0 3 303.406 2.079 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001485748533 1080414086 /nfs/dbraw/zinc/41/40/86/1080414086.db2.gz IQKDUNWGJPUYRB-STQMWFEESA-N 0 3 312.845 2.151 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001661030853 1080431197 /nfs/dbraw/zinc/43/11/97/1080431197.db2.gz CBDREPKTVBDJEI-AWEZNQCLSA-N 0 3 307.442 2.073 20 30 DEEDHN C#CCC1(C(=O)N(C)[C@@H]2CCN(CCOC)C2)CCCCC1 ZINC001481754713 1080444559 /nfs/dbraw/zinc/44/45/59/1080444559.db2.gz SENTYOAHSRODPI-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001661248779 1080463517 /nfs/dbraw/zinc/46/35/17/1080463517.db2.gz CKHYPLNKVPUYES-OAGGEKHMSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001661352783 1080473421 /nfs/dbraw/zinc/47/34/21/1080473421.db2.gz IIZPRMQVIYBMSP-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001661418137 1080480266 /nfs/dbraw/zinc/48/02/66/1080480266.db2.gz ZSMQPNCNRPKWBF-WZTLGTBRSA-N 0 3 320.408 2.451 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)Cc1nc(CC)c[nH]1 ZINC001485812949 1080483395 /nfs/dbraw/zinc/48/33/95/1080483395.db2.gz GNYBFOAYVREGPB-AWEZNQCLSA-N 0 3 324.856 2.094 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)Oc2ccccn2)C1 ZINC001481777913 1080493678 /nfs/dbraw/zinc/49/36/78/1080493678.db2.gz KEGCLDVXSQKMKD-HOTGVXAUSA-N 0 3 317.433 2.348 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](CNCc1cn(C)nc1C)C1CC1 ZINC001485819422 1080565904 /nfs/dbraw/zinc/56/59/04/1080565904.db2.gz GNAFRFVWKZYZSI-MRXNPFEDSA-N 0 3 318.465 2.267 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cccc3c2OCC3(C)C)C1 ZINC001662585522 1080618017 /nfs/dbraw/zinc/61/80/17/1080618017.db2.gz GXOLHPVKFMRZHZ-AWEZNQCLSA-N 0 3 312.413 2.184 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001662872158 1080670522 /nfs/dbraw/zinc/67/05/22/1080670522.db2.gz GMZDHLPJIOWYQR-INIZCTEOSA-N 0 3 300.402 2.012 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001662872966 1080670799 /nfs/dbraw/zinc/67/07/99/1080670799.db2.gz WILALQRZMIYMFS-KRWDZBQOSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCOCC(=O)N1CCC(CCNCc2nccs2)CC1 ZINC001481995069 1080676678 /nfs/dbraw/zinc/67/66/78/1080676678.db2.gz HPTFRNAENCYBGZ-UHFFFAOYSA-N 0 3 323.462 2.064 20 30 DEEDHN Cc1ccc(C)c(CN2CC(CNC(=O)CSCC#N)C2)c1 ZINC001268510322 1080685080 /nfs/dbraw/zinc/68/50/80/1080685080.db2.gz LCAXNZHOQSBAST-UHFFFAOYSA-N 0 3 317.458 2.108 20 30 DEEDHN COCC(=O)NCCC[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC001663020012 1080685745 /nfs/dbraw/zinc/68/57/45/1080685745.db2.gz MHGGUUJDEIMDDB-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN C=CCCC(=O)NC/C=C\CNCc1cccc2c1CCOC2 ZINC001268521968 1080713355 /nfs/dbraw/zinc/71/33/55/1080713355.db2.gz GRGAXPRNYNTGGP-PLNGDYQASA-N 0 3 314.429 2.488 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001663172039 1080714803 /nfs/dbraw/zinc/71/48/03/1080714803.db2.gz QQAXMCLMKIDQHH-SJLPKXTDSA-N 0 3 320.408 2.188 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2nc(C)oc2C)cc1 ZINC001482033764 1080717258 /nfs/dbraw/zinc/71/72/58/1080717258.db2.gz OIYWAUXVXLAJAB-UHFFFAOYSA-N 0 3 311.385 2.334 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1 ZINC001482034980 1080723111 /nfs/dbraw/zinc/72/31/11/1080723111.db2.gz JMTNFUKZCWGZNG-UHFFFAOYSA-N 0 3 321.424 2.405 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@H]3CC3(C)C)CCC[C@@H]12 ZINC001107361668 1080743089 /nfs/dbraw/zinc/74/30/89/1080743089.db2.gz QDYLXIGAXIRAIY-GPMSIDNRSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001663513550 1080764578 /nfs/dbraw/zinc/76/45/78/1080764578.db2.gz ZBITUJPAOVAHFV-INIZCTEOSA-N 0 3 317.433 2.095 20 30 DEEDHN Cc1nc(CNC[C@H](C)CNC(=O)C#CC2CC2)sc1C ZINC001482100738 1080801899 /nfs/dbraw/zinc/80/18/99/1080801899.db2.gz IFTGGVVLSUKUHQ-NSHDSACASA-N 0 3 305.447 2.015 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)CNCc1cc(C)n(C)n1 ZINC001482106188 1080808757 /nfs/dbraw/zinc/80/87/57/1080808757.db2.gz WZZRYCORGAASPR-CYBMUJFWSA-N 0 3 306.454 2.173 20 30 DEEDHN C=CCN(CCNC(=O)C[C@H]1CC[C@H](C(F)(F)F)O1)C1CC1 ZINC001663739401 1080809058 /nfs/dbraw/zinc/80/90/58/1080809058.db2.gz CNAGHFMRRVKISP-CHWSQXEVSA-N 0 3 320.355 2.253 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cc1cn(C)c2ccccc12 ZINC001268587517 1080833425 /nfs/dbraw/zinc/83/34/25/1080833425.db2.gz VYAWZFRGWGQRRA-FPLPWBNLSA-N 0 3 309.413 2.006 20 30 DEEDHN COC[C@@H](C)[C@H](C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001663977674 1080844688 /nfs/dbraw/zinc/84/46/88/1080844688.db2.gz OHBAEYMXIGYCGK-CABCVRRESA-N 0 3 317.433 2.025 20 30 DEEDHN COc1ccc(C(=O)N(C)CCNCc2ccc(C#N)s2)o1 ZINC001664264075 1080884748 /nfs/dbraw/zinc/88/47/48/1080884748.db2.gz ICILDWMCQXPQMS-UHFFFAOYSA-N 0 3 319.386 2.083 20 30 DEEDHN CCc1noc(C)c1CN(CCCNC(=O)[C@@H](C)C#N)C(C)C ZINC001664491716 1080917011 /nfs/dbraw/zinc/91/70/11/1080917011.db2.gz CQHFWKVYZUTLJJ-ZDUSSCGKSA-N 0 3 320.437 2.422 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN[C@@H](C)C(=O)NC1CCCC1 ZINC001268663860 1080922876 /nfs/dbraw/zinc/92/28/76/1080922876.db2.gz ZLWIANLTDPHRTC-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cnc(C)n2C)C1 ZINC001664677998 1080941566 /nfs/dbraw/zinc/94/15/66/1080941566.db2.gz JUMUUMFIUOQJSK-OAHLLOKOSA-N 0 3 304.438 2.231 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H](C)CN(C)CC=C)cc1 ZINC001268729355 1080954799 /nfs/dbraw/zinc/95/47/99/1080954799.db2.gz FVQGGTAYVCNCRZ-HNNXBMFYSA-N 0 3 300.402 2.325 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc(NC(=O)CC)c1 ZINC001268732922 1080958534 /nfs/dbraw/zinc/95/85/34/1080958534.db2.gz QTFAGKOXLIWBMT-CYBMUJFWSA-N 0 3 303.406 2.271 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001664777104 1080958921 /nfs/dbraw/zinc/95/89/21/1080958921.db2.gz FZGDJZPCIUJNRS-IAGOWNOFSA-N 0 3 307.482 2.075 20 30 DEEDHN C=CCC[C@@H](C)N1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001665200008 1081000151 /nfs/dbraw/zinc/00/01/51/1081000151.db2.gz HUPWDPIBPKHKJU-NVXWUHKLSA-N 0 3 307.482 2.404 20 30 DEEDHN C#CCCN1CC(CNC(=O)CO[C@@H]2CCCC[C@@H]2CC)C1 ZINC001268828961 1081010866 /nfs/dbraw/zinc/01/08/66/1081010866.db2.gz RPQUUIGEIMRCQG-DLBZAZTESA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)COc1cccnc1 ZINC001665416966 1081026614 /nfs/dbraw/zinc/02/66/14/1081026614.db2.gz SATPXCYWCKYKMH-PMPSAXMXSA-N 0 3 315.417 2.100 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCCC1 ZINC001665425535 1081029116 /nfs/dbraw/zinc/02/91/16/1081029116.db2.gz ZFKROMKMYXWNDX-ULQDDVLXSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCCO1 ZINC001268939811 1081051438 /nfs/dbraw/zinc/05/14/38/1081051438.db2.gz RZNUTHPAANCUHL-ULQDDVLXSA-N 0 3 304.434 2.034 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCC2CCOCC2)C1 ZINC001665731950 1081073473 /nfs/dbraw/zinc/07/34/73/1081073473.db2.gz PFGQPYSAPMNQLT-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)N[C@H](C)C(=O)N(CC)CC)C1 ZINC001665845027 1081089525 /nfs/dbraw/zinc/08/95/25/1081089525.db2.gz VZSLZJTUZUKSBG-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CCNCc2nccn2C)C1 ZINC001666134635 1081127413 /nfs/dbraw/zinc/12/74/13/1081127413.db2.gz DFHDKJGAEQOTGF-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)c1c[nH]c3cc(C#N)ccc31)CC2 ZINC001269159309 1081144042 /nfs/dbraw/zinc/14/40/42/1081144042.db2.gz YJNFASMNLAHYPX-UHFFFAOYSA-N 0 3 308.385 2.207 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cncc(CC)c2)cc1 ZINC001666337587 1081145256 /nfs/dbraw/zinc/14/52/56/1081145256.db2.gz KKDHZGAIIRORKD-UHFFFAOYSA-N 0 3 307.397 2.297 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CCCn2ccnc2C)cc1 ZINC001666344782 1081146827 /nfs/dbraw/zinc/14/68/27/1081146827.db2.gz OMPUPMKOQFDBDM-UHFFFAOYSA-N 0 3 324.428 2.011 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)C1CCN(Cc2cn(C)nc2C)CC1 ZINC001279119594 1081175527 /nfs/dbraw/zinc/17/55/27/1081175527.db2.gz GXCIIGVPCRWJDY-AWEZNQCLSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001666864520 1081187425 /nfs/dbraw/zinc/18/74/25/1081187425.db2.gz CHPRAEPUXPEPAV-AWEZNQCLSA-N 0 3 315.417 2.470 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001269268144 1081190067 /nfs/dbraw/zinc/19/00/67/1081190067.db2.gz IAXNLLOYKAVZPX-NVXWUHKLSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2)C1 ZINC001269292429 1081201041 /nfs/dbraw/zinc/20/10/41/1081201041.db2.gz MTSVXFQRBJAPHS-KRWDZBQOSA-N 0 3 320.408 2.104 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2csnc2OC)[C@H](C)C1 ZINC001667165153 1081218447 /nfs/dbraw/zinc/21/84/47/1081218447.db2.gz YIYZAEVHHNIJDO-OCCSQVGLSA-N 0 3 323.462 2.445 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001269340053 1081220918 /nfs/dbraw/zinc/22/09/18/1081220918.db2.gz WCFICBUUEWKKRW-WBVHZDCISA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001269357097 1081226443 /nfs/dbraw/zinc/22/64/43/1081226443.db2.gz YJHYLIJBPXPKLJ-MRXNPFEDSA-N 0 3 312.417 2.214 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)N[C@@H](C)c1n[nH]c(C)n1 ZINC001269449314 1081251152 /nfs/dbraw/zinc/25/11/52/1081251152.db2.gz YAAHPKWHUXAPPJ-WCQYABFASA-N 0 3 307.442 2.261 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CO[C@@H](C)C2)CCCC1 ZINC001482222519 1081259851 /nfs/dbraw/zinc/25/98/51/1081259851.db2.gz HWSAHYCEWLCOIT-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(C)nc1C(C)C ZINC001667634768 1081269298 /nfs/dbraw/zinc/26/92/98/1081269298.db2.gz RFYHYHCQRCZLHY-UHFFFAOYSA-N 0 3 304.438 2.488 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1ccnc(C(F)(F)F)c1 ZINC001667647799 1081269870 /nfs/dbraw/zinc/26/98/70/1081269870.db2.gz JLBIDSAQGFMTQM-UHFFFAOYSA-N 0 3 301.312 2.290 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCOC[C@@H]2C)CCCC1 ZINC001482229826 1081282617 /nfs/dbraw/zinc/28/26/17/1081282617.db2.gz MFTQWTDMRMEIPD-GXTWGEPZSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCCC(=O)NC[C@H](O)CN[C@@H](C)c1ccccc1Cl ZINC001667796241 1081290294 /nfs/dbraw/zinc/29/02/94/1081290294.db2.gz 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/nfs/dbraw/zinc/37/37/50/1081373750.db2.gz DIJRDOBFXXAYRR-UHFFFAOYSA-N 0 3 321.424 2.244 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2csc(C)n2)C[C@H]1C ZINC001269917192 1081398908 /nfs/dbraw/zinc/39/89/08/1081398908.db2.gz NUYANQVLZGXYEP-OCCSQVGLSA-N 0 3 323.462 2.123 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1c(F)c(F)cc(F)c1F ZINC001668837906 1081402975 /nfs/dbraw/zinc/40/29/75/1081402975.db2.gz CTFRQVNBZQBUEB-PLNGDYQASA-N 0 3 314.282 2.142 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccoc1)C2 ZINC001095809019 1081403068 /nfs/dbraw/zinc/40/30/68/1081403068.db2.gz KZMJSDIPXWWKHP-KBMXLJTQSA-N 0 3 324.384 2.028 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001669256005 1081441678 /nfs/dbraw/zinc/44/16/78/1081441678.db2.gz RYJWEVYHIMDBLS-NEPJUHHUSA-N 0 3 312.360 2.323 20 30 DEEDHN C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)C(F)F ZINC001669493324 1081453569 /nfs/dbraw/zinc/45/35/69/1081453569.db2.gz AKIBOJNHLXCNSZ-JTQLQIEISA-N 0 3 300.736 2.051 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CCNCc2cnc(C)cn2)C1 ZINC001280173101 1081460414 /nfs/dbraw/zinc/46/04/14/1081460414.db2.gz LWMBKAMKRQSSDX-MRXNPFEDSA-N 0 3 316.449 2.470 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)C1(C2CCCCC2)CC1 ZINC001669724646 1081464351 /nfs/dbraw/zinc/46/43/51/1081464351.db2.gz RRLDMENRUFBUKI-HNNXBMFYSA-N 0 3 306.450 2.091 20 30 DEEDHN Cc1ccc(OCCN(C)C[C@@H](C)NC(=O)C#CC(C)C)cc1 ZINC001669806862 1081470237 /nfs/dbraw/zinc/47/02/37/1081470237.db2.gz VPNRFCCBIAHUSC-QGZVFWFLSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC001669827044 1081472567 /nfs/dbraw/zinc/47/25/67/1081472567.db2.gz QWLZCCNGSOCVGT-CQSZACIVSA-N 0 3 302.418 2.177 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cn2ccnc2C(C)C)CC1 ZINC001270249669 1081485414 /nfs/dbraw/zinc/48/54/14/1081485414.db2.gz VVKRXDYARIHNQO-UHFFFAOYSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCCCC(=O)N(C)CCCN[C@H](C)c1cnc(C)cn1 ZINC001670076333 1081495066 /nfs/dbraw/zinc/49/50/66/1081495066.db2.gz VRYNBOBZBFZNDG-OAHLLOKOSA-N 0 3 302.422 2.088 20 30 DEEDHN CN(CCCNCc1ccc(C#N)cc1F)C(=O)C#CC1CC1 ZINC001670090079 1081495882 /nfs/dbraw/zinc/49/58/82/1081495882.db2.gz APMIVRLKFKETNE-UHFFFAOYSA-N 0 3 313.376 2.049 20 30 DEEDHN CN(CCCNCc1ccc(F)cn1)C(=O)C#CC(C)(C)C ZINC001670090198 1081496022 /nfs/dbraw/zinc/49/60/22/1081496022.db2.gz FAIHRWLVGPEYSI-UHFFFAOYSA-N 0 3 305.397 2.208 20 30 DEEDHN C#CCN(C(=O)C1CCCC1)C1CCN(CCOCC)CC1 ZINC001671450912 1081517339 /nfs/dbraw/zinc/51/73/39/1081517339.db2.gz WZFKLZPKPMNOKV-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C(=O)CC(CC)CC)C1CCN(CCOC)CC1 ZINC001671499804 1081520343 /nfs/dbraw/zinc/52/03/43/1081520343.db2.gz JIDJREUWSJWMMW-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001671523868 1081520644 /nfs/dbraw/zinc/52/06/44/1081520644.db2.gz CZSVTEHPEMAVDB-VQIMIIECSA-N 0 3 323.440 2.462 20 30 DEEDHN CC(C)C#CC(=O)N[C@@]1(C)CCN(CCOCC2CCC2)C1 ZINC001671638093 1081528848 /nfs/dbraw/zinc/52/88/48/1081528848.db2.gz 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1081558747 /nfs/dbraw/zinc/55/87/47/1081558747.db2.gz DQGMOMAWXABBKL-KSSFIOAISA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001672266657 1081575156 /nfs/dbraw/zinc/57/51/56/1081575156.db2.gz IEJJQTOAWADLKF-KMSDLWBPSA-N 0 3 321.248 2.192 20 30 DEEDHN C=CCCCN1CCC[C@@](CO)(NC(=O)[C@H](CC)SC)C1 ZINC001672482171 1081603008 /nfs/dbraw/zinc/60/30/08/1081603008.db2.gz QURJNTGWMAGIPD-GOEBONIOSA-N 0 3 314.495 2.037 20 30 DEEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)c1ncc[nH]1 ZINC001270743321 1081619462 /nfs/dbraw/zinc/61/94/62/1081619462.db2.gz NETHKIJMOJAREW-UHFFFAOYSA-N 0 3 322.412 2.094 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOc1ccccc1)C2 ZINC001111400674 1081716687 /nfs/dbraw/zinc/71/66/87/1081716687.db2.gz NDOYFLAPTZBJOW-NXHRZFHOSA-N 0 3 312.413 2.200 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC001672885623 1081717934 /nfs/dbraw/zinc/71/79/34/1081717934.db2.gz PLFWPTIMISJVOW-CYBMUJFWSA-N 0 3 311.813 2.486 20 30 DEEDHN CC#CCN(C)Cc1ccccc1CNC(=O)CCc1c[nH]cn1 ZINC001672924736 1081721837 /nfs/dbraw/zinc/72/18/37/1081721837.db2.gz ANCUQWZOAKRWFC-UHFFFAOYSA-N 0 3 324.428 2.114 20 30 DEEDHN CC#CCN(C)Cc1ccccc1CNC(=O)CCc1cnc[nH]1 ZINC001672924736 1081721846 /nfs/dbraw/zinc/72/18/46/1081721846.db2.gz ANCUQWZOAKRWFC-UHFFFAOYSA-N 0 3 324.428 2.114 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cnn3c2CCC3)cc1 ZINC001672938968 1081724687 /nfs/dbraw/zinc/72/46/87/1081724687.db2.gz ZWFLYKFBGSEVJU-AWEZNQCLSA-N 0 3 322.412 2.043 20 30 DEEDHN Cc1conc1CNC[C@H]1CC[C@H](NC(=O)C#CC2CC2)CC1 ZINC001672960710 1081726261 /nfs/dbraw/zinc/72/62/61/1081726261.db2.gz JLEFZZQIRBGCBB-WKILWMFISA-N 0 3 315.417 2.161 20 30 DEEDHN C=CC1(CC(=O)N(C)[C@H](C)CN[C@@H](CC)C(N)=O)CCCCC1 ZINC001482343436 1081741179 /nfs/dbraw/zinc/74/11/79/1081741179.db2.gz LCCREOIZOQRMMU-CABCVRRESA-N 0 3 323.481 2.213 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(C(C)C)[nH]c2=O)CCC1 ZINC001673218003 1081746825 /nfs/dbraw/zinc/74/68/25/1081746825.db2.gz IQHSDBIZCGWXLD-UHFFFAOYSA-N 0 3 315.417 2.176 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CCC2CCCCC2)CCO1 ZINC001673336557 1081756248 /nfs/dbraw/zinc/75/62/48/1081756248.db2.gz JHJWCYLOOLABTN-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](C)OCc2ccccc2)CC1 ZINC001673385217 1081763963 /nfs/dbraw/zinc/76/39/63/1081763963.db2.gz BRYNTIAKELLWSQ-FUHWJXTLSA-N 0 3 314.429 2.196 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)CN(C)Cc1ccccc1 ZINC001482372812 1081769491 /nfs/dbraw/zinc/76/94/91/1081769491.db2.gz VWQODTZNZAYGRH-OAHLLOKOSA-N 0 3 323.868 2.307 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC001673483549 1081774375 /nfs/dbraw/zinc/77/43/75/1081774375.db2.gz WCEVALRQAALVRQ-SFHVURJKSA-N 0 3 314.429 2.104 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001673491696 1081776144 /nfs/dbraw/zinc/77/61/44/1081776144.db2.gz PGWHLDOMFLPPGX-KRWDZBQOSA-N 0 3 304.409 2.371 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H](OC)C2CCC2)C(C)(C)C1 ZINC001674022406 1081827701 /nfs/dbraw/zinc/82/77/01/1081827701.db2.gz CDJFTMLWWLVYBC-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN CSC[C@@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001270914633 1081837712 /nfs/dbraw/zinc/83/77/12/1081837712.db2.gz QHMYAKJOQGWMLY-HZPDHXFCSA-N 0 3 318.486 2.474 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001270955889 1081856144 /nfs/dbraw/zinc/85/61/44/1081856144.db2.gz CFZOCFVOEBRSFS-DOMZBBRYSA-N 0 3 324.346 2.269 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)C[C@H](C)OC)CC2)C1 ZINC001674280223 1081856714 /nfs/dbraw/zinc/85/67/14/1081856714.db2.gz SAGWKPZOAZWAKI-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001674392948 1081865821 /nfs/dbraw/zinc/86/58/21/1081865821.db2.gz GPCOXWVRCJOAAV-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001674475112 1081876592 /nfs/dbraw/zinc/87/65/92/1081876592.db2.gz KDRTXQBOZHUXBA-HNNXBMFYSA-N 0 3 317.433 2.055 20 30 DEEDHN Cc1nocc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001271093036 1081907150 /nfs/dbraw/zinc/90/71/50/1081907150.db2.gz MFTOAKWWRWKBLT-CQSZACIVSA-N 0 3 311.385 2.085 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001271099374 1081909458 /nfs/dbraw/zinc/90/94/58/1081909458.db2.gz BOPXGAVSJRNXHF-UKRRQHHQSA-N 0 3 318.408 2.309 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001266292580 1081947671 /nfs/dbraw/zinc/94/76/71/1081947671.db2.gz NCUKJBPLIUHZCM-IRXDYDNUSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]([C@@H](C)NCc2ccn(C)n2)C1 ZINC001482473998 1081954698 /nfs/dbraw/zinc/95/46/98/1081954698.db2.gz BFVPFCJXHLSFFC-CVEARBPZSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC001266316890 1081967301 /nfs/dbraw/zinc/96/73/01/1081967301.db2.gz JVKSOXFMHJKNSB-OAHLLOKOSA-N 0 3 302.422 2.336 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)c1cccc(F)c1 ZINC001271248408 1081998987 /nfs/dbraw/zinc/99/89/87/1081998987.db2.gz YOSNDBJQAUQXJU-KRWDZBQOSA-N 0 3 320.408 2.210 20 30 DEEDHN CCN(CCNC(=O)CSCC#N)Cc1ccc(F)cc1 ZINC001266378159 1082008286 /nfs/dbraw/zinc/00/82/86/1082008286.db2.gz RNBKLXSWKLVSAZ-UHFFFAOYSA-N 0 3 309.410 2.021 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)Cc1cccc(OC)c1 ZINC001266387986 1082013108 /nfs/dbraw/zinc/01/31/08/1082013108.db2.gz NPSRWWWUZAEUCI-UHFFFAOYSA-N 0 3 302.418 2.293 20 30 DEEDHN Cc1ncc(CN[C@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]2C)o1 ZINC001271394300 1082028390 /nfs/dbraw/zinc/02/83/90/1082028390.db2.gz IPVXBKDMKXVALM-BBRMVZONSA-N 0 3 317.433 2.359 20 30 DEEDHN Cc1conc1C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001266436298 1082036998 /nfs/dbraw/zinc/03/69/98/1082036998.db2.gz BMSPDDGZMFQNEP-KRWDZBQOSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1ccc2c(c1)OCCCO2 ZINC001480873828 1082037045 /nfs/dbraw/zinc/03/70/45/1082037045.db2.gz MEUPISQIVIXGIR-UHFFFAOYSA-N 0 3 304.390 2.086 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC001088120752 1082038609 /nfs/dbraw/zinc/03/86/09/1082038609.db2.gz VLGOWOKKSSYBGS-ZCNNSNEGSA-N 0 3 322.452 2.205 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1CCn1cccn1 ZINC001266482547 1082066640 /nfs/dbraw/zinc/06/66/40/1082066640.db2.gz DIMUCKJKFBZKNF-HNNXBMFYSA-N 0 3 304.438 2.066 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cn(C)cn1 ZINC001271514737 1082071215 /nfs/dbraw/zinc/07/12/15/1082071215.db2.gz UEXZQNVVMKBYCE-CYBMUJFWSA-N 0 3 310.829 2.147 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C(F)F)NCc1cc(C#N)ccc1F ZINC001496517764 1082074571 /nfs/dbraw/zinc/07/45/71/1082074571.db2.gz OXJWUJPNGGVYJM-CYBMUJFWSA-N 0 3 313.323 2.193 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)[C@H]2CC23CC3)c(F)c1 ZINC001167304493 1082094126 /nfs/dbraw/zinc/09/41/26/1082094126.db2.gz ZPLMNJBGXRJRLD-CQSZACIVSA-N 0 3 301.365 2.093 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCc2ccc(Cl)cc2)C1 ZINC001266522902 1082106210 /nfs/dbraw/zinc/10/62/10/1082106210.db2.gz BTAKQOSUUAOJSL-OAHLLOKOSA-N 0 3 304.821 2.344 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001286090445 1082106914 /nfs/dbraw/zinc/10/69/14/1082106914.db2.gz BDUWCSDHAOFYGQ-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1cccc(Cl)n1 ZINC001482516446 1082136976 /nfs/dbraw/zinc/13/69/76/1082136976.db2.gz AGFJBIQBSCYUEY-AAEUAGOBSA-N 0 3 308.813 2.125 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)C[C@H](C)OC)C(C)C ZINC001482521504 1082141290 /nfs/dbraw/zinc/14/12/90/1082141290.db2.gz HBOILDFTBQBGLH-NWDGAFQWSA-N 0 3 321.259 2.050 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC001266556879 1082155692 /nfs/dbraw/zinc/15/56/92/1082155692.db2.gz CNYSVZIZZQMFKZ-AWEZNQCLSA-N 0 3 300.377 2.071 20 30 DEEDHN COc1cc(CN[C@H](CNC(=O)C#CC(C)C)C(C)C)sn1 ZINC001271836561 1082168577 /nfs/dbraw/zinc/16/85/77/1082168577.db2.gz BKTLTCOVZPVYSU-CQSZACIVSA-N 0 3 323.462 2.042 20 30 DEEDHN Cc1nc(C)c(C(=O)N(C)CCNCc2ccc(C#N)cc2)o1 ZINC001493510334 1082209989 /nfs/dbraw/zinc/20/99/89/1082209989.db2.gz ZDVYKGAGKJVAHV-UHFFFAOYSA-N 0 3 312.373 2.025 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN(C)Cc1cc(C)ccc1C ZINC001272012938 1082265035 /nfs/dbraw/zinc/26/50/35/1082265035.db2.gz DHQRNQPWWJBACC-QGZVFWFLSA-N 0 3 316.445 2.232 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@H](OCC)C(C)C)C1 ZINC001266752732 1082323126 /nfs/dbraw/zinc/32/31/26/1082323126.db2.gz VZERSYARKGFJQL-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cn1nc(C)cc1C(F)F ZINC001482599123 1082362626 /nfs/dbraw/zinc/36/26/26/1082362626.db2.gz PXBZJLGDUMVTDC-UHFFFAOYSA-N 0 3 314.380 2.095 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCCc1csc(C)n1 ZINC001482599633 1082363187 /nfs/dbraw/zinc/36/31/87/1082363187.db2.gz XAYVLGGRWSOBEU-UHFFFAOYSA-N 0 3 307.463 2.188 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1Cc2ccccc21 ZINC001266821978 1082370822 /nfs/dbraw/zinc/37/08/22/1082370822.db2.gz HAVHKNKOFGJODG-IBGZPJMESA-N 0 3 319.408 2.446 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)Cc1ccccc1 ZINC001266844173 1082386762 /nfs/dbraw/zinc/38/67/62/1082386762.db2.gz HWAXHHCXSIWINZ-GOSISDBHSA-N 0 3 316.445 2.402 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001480892459 1082409641 /nfs/dbraw/zinc/40/96/41/1082409641.db2.gz FFPSDXZHWHMLBI-QGZVFWFLSA-N 0 3 320.408 2.106 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1c[nH]c(Br)c1 ZINC001480892842 1082412386 /nfs/dbraw/zinc/41/23/86/1082412386.db2.gz KCJFWHRPJYDYKM-UHFFFAOYSA-N 0 3 300.200 2.015 20 30 DEEDHN Cc1cc(C(=O)N(C)CCNCc2cccc(C#N)c2)ccn1 ZINC001266904208 1082444815 /nfs/dbraw/zinc/44/48/15/1082444815.db2.gz SHAWKMVLOSQCJO-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@H](C)CSC ZINC001482817212 1082522246 /nfs/dbraw/zinc/52/22/46/1082522246.db2.gz SEVIMYALOOOUSC-MWLCHTKSSA-N 0 3 323.300 2.379 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCNCc2cc(C)ncn2)cc1 ZINC001482858959 1082534684 /nfs/dbraw/zinc/53/46/84/1082534684.db2.gz VKUNCFARCVNRCU-AWEZNQCLSA-N 0 3 322.412 2.065 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(Cl)ccc1OC ZINC001482964990 1082583340 /nfs/dbraw/zinc/58/33/40/1082583340.db2.gz JKWMZJOYTKOEKC-UHFFFAOYSA-N 0 3 308.809 2.424 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC001483087236 1082699656 /nfs/dbraw/zinc/69/96/56/1082699656.db2.gz LHFGUCXHRLRZGE-IYKSTZQJSA-N 0 3 318.392 2.016 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)[C@H](C)NCc2ccc(C#N)s2)on1 ZINC001409278149 1082739256 /nfs/dbraw/zinc/73/92/56/1082739256.db2.gz FMSRMPFCTKYKKE-WDEREUQCSA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(Cl)c1)NC(=O)C#CC1CC1 ZINC001483226098 1082827849 /nfs/dbraw/zinc/82/78/49/1082827849.db2.gz HWEHZTLMCWCKSC-NSHDSACASA-N 0 3 308.784 2.487 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C(C)C)CCC1 ZINC001483263440 1083062518 /nfs/dbraw/zinc/06/25/18/1083062518.db2.gz TYJUNHHSLNIJRH-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN CC[C@@H](C)CC(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107383716 1083365055 /nfs/dbraw/zinc/36/50/55/1083365055.db2.gz DGNKBAUYOLCRKI-ZHALLVOQSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)Cc2ccccc2C)C1 ZINC001276460095 1083447990 /nfs/dbraw/zinc/44/79/90/1083447990.db2.gz INXNYVBEZZGLNU-INIZCTEOSA-N 0 3 316.445 2.177 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@H]2O)C1 ZINC001077644283 1083538928 /nfs/dbraw/zinc/53/89/28/1083538928.db2.gz RGNDKMDTYWAEEN-IAGOWNOFSA-N 0 3 318.461 2.395 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2nccs2)[C@@H](CC)C1 ZINC001276728889 1083574322 /nfs/dbraw/zinc/57/43/22/1083574322.db2.gz BROWKINXUFOWRD-KBPBESRZSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736557 1083651713 /nfs/dbraw/zinc/65/17/13/1083651713.db2.gz YPZQZXAFIUPDRO-PBHICJAKSA-N 0 3 306.406 2.455 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C(C(=O)NC(C)(C)C)=NO[C@@H]2C1 ZINC001277151292 1083811607 /nfs/dbraw/zinc/81/16/07/1083811607.db2.gz IPLXNBMYKJZKKE-UONOGXRCSA-N 0 3 307.438 2.334 20 30 DEEDHN CCCCCCCN1C[C@@H]2C(C(=O)NCC(F)F)=NO[C@@H]2C1 ZINC001277223890 1083853849 /nfs/dbraw/zinc/85/38/49/1083853849.db2.gz AOJCQLDFILBGPK-NWDGAFQWSA-N 0 3 317.380 2.025 20 30 DEEDHN Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CN(Cc2cn[nH]c2)C3)c1 ZINC001277353742 1083923967 /nfs/dbraw/zinc/92/39/67/1083923967.db2.gz KIKSQXKFSWOQQX-CRAIPNDOSA-N 0 3 321.384 2.050 20 30 DEEDHN O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001490966878 1083975763 /nfs/dbraw/zinc/97/57/63/1083975763.db2.gz AIUHTAXGCIAYIY-AGUYFDCRSA-N 0 3 314.351 2.464 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@H]21 ZINC001490987242 1083989709 /nfs/dbraw/zinc/98/97/09/1083989709.db2.gz UBTFNZBYUVJPGP-DGPIVGRDSA-N 0 3 312.841 2.254 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001490987692 1083990176 /nfs/dbraw/zinc/99/01/76/1083990176.db2.gz WMOALRXAEXUHOT-ROUUACIJSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1ccc(C2CCC2)cc1 ZINC001277494829 1084002884 /nfs/dbraw/zinc/00/28/84/1084002884.db2.gz XNORZTUWFUNLSZ-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN COCC#CCN1CC[C@]2(CCN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001277509808 1084009823 /nfs/dbraw/zinc/00/98/23/1084009823.db2.gz POQBUVWXNLXNFZ-UCFODXPJSA-N 0 3 318.461 2.163 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C2(C(F)F)CC2)C1 ZINC001491019464 1084011122 /nfs/dbraw/zinc/01/11/22/1084011122.db2.gz SFPFBIWSQODROU-DTORHVGOSA-N 0 3 323.181 2.177 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001272785142 1084051440 /nfs/dbraw/zinc/05/14/40/1084051440.db2.gz ZBCCBEQMJPIQKF-NEPJUHHUSA-N 0 3 310.829 2.067 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001491125315 1084099350 /nfs/dbraw/zinc/09/93/50/1084099350.db2.gz IIXJWWOHGMJQSE-STQMWFEESA-N 0 3 304.356 2.426 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](CNCc2ccn(C)n2)C1 ZINC001491152034 1084112986 /nfs/dbraw/zinc/11/29/86/1084112986.db2.gz KTIOIEBIOSMGKB-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001491250313 1084182172 /nfs/dbraw/zinc/18/21/72/1084182172.db2.gz CGPIDJIFDRMMCE-CQSZACIVSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)Cc2ccc(C)s2)C1 ZINC001671694659 1084188589 /nfs/dbraw/zinc/18/85/89/1084188589.db2.gz VIFRCOJUINTCTA-KRWDZBQOSA-N 0 3 322.474 2.382 20 30 DEEDHN C[N+](C)(C)C[C@@H](CC#N)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234691411 1084197459 /nfs/dbraw/zinc/19/74/59/1084197459.db2.gz IBVHKJHAFAZQBT-CQSZACIVSA-O 0 3 313.381 2.216 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H](OC)C1 ZINC001212397806 1084197692 /nfs/dbraw/zinc/19/76/92/1084197692.db2.gz SZECICPAPHKQOU-VXGBXAGGSA-N 0 3 304.381 2.059 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001277878994 1084200693 /nfs/dbraw/zinc/20/06/93/1084200693.db2.gz FZTZYSJKAPVQQC-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2cnccc2C)C1 ZINC001491287496 1084212487 /nfs/dbraw/zinc/21/24/87/1084212487.db2.gz NZEGXKHYCSWQOE-DLBZAZTESA-N 0 3 313.445 2.173 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1cc(OC)ns1 ZINC001671275448 1084213035 /nfs/dbraw/zinc/21/30/35/1084213035.db2.gz GMAZIUYCBWHWGK-LBPRGKRZSA-N 0 3 309.435 2.199 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnc(C)cn3)CC2)C1=O ZINC001272815851 1084242598 /nfs/dbraw/zinc/24/25/98/1084242598.db2.gz SYDZVLOKWMPUEW-SFHVURJKSA-N 0 3 314.433 2.176 20 30 DEEDHN CC(C)Oc1ccccc1CN[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001491412901 1084294741 /nfs/dbraw/zinc/29/47/41/1084294741.db2.gz CPAFMQDNRUVOBL-KBPBESRZSA-N 0 3 303.406 2.228 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001235104364 1084312280 /nfs/dbraw/zinc/31/22/80/1084312280.db2.gz FAISYVXRXTVXBH-LBPRGKRZSA-N 0 3 310.829 2.484 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2CCOCc2ccccc2)C1=O ZINC001272853581 1084382213 /nfs/dbraw/zinc/38/22/13/1084382213.db2.gz UGOIWFLLYNZFSG-LJQANCHMSA-N 0 3 314.429 2.456 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1cn(C)nc1C ZINC001277954164 1084469216 /nfs/dbraw/zinc/46/92/16/1084469216.db2.gz NESYYMNJIBQSJF-CYBMUJFWSA-N 0 3 306.454 2.267 20 30 DEEDHN C[C@H](CN(C)C(=O)Cc1ccco1)NCC#Cc1ccccc1 ZINC001277968421 1084529299 /nfs/dbraw/zinc/52/92/99/1084529299.db2.gz IBENVULWRCUUDS-MRXNPFEDSA-N 0 3 310.397 2.310 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001078217031 1084592434 /nfs/dbraw/zinc/59/24/34/1084592434.db2.gz MIHUPXHHIJTTIC-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cn(C)nc2C)C12CCC2 ZINC001078577486 1084753254 /nfs/dbraw/zinc/75/32/54/1084753254.db2.gz CLTCLTWHDGRJTL-KGLIPLIRSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cnc(C)[nH]2)C12CCC2 ZINC001078580372 1084754986 /nfs/dbraw/zinc/75/49/86/1084754986.db2.gz GHNMMFRIPIEXCW-OLZOCXBDSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cnn(CC)c2)C12CCC2 ZINC001078580460 1084756558 /nfs/dbraw/zinc/75/65/58/1084756558.db2.gz HJZKDDSCXQWGKK-KGLIPLIRSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)Cc2cnc(C)o2)C12CCC2 ZINC001078644543 1084790108 /nfs/dbraw/zinc/79/01/08/1084790108.db2.gz GPXKOCCLRDTDMS-ZIAGYGMSSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)C12CCC2 ZINC001078752940 1084848319 /nfs/dbraw/zinc/84/83/19/1084848319.db2.gz VKGRUJQCKLZFBF-CHWSQXEVSA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnc(C)n2)C12CCC2 ZINC001078816399 1084908999 /nfs/dbraw/zinc/90/89/99/1084908999.db2.gz MIUYICPWNARBHS-KBPBESRZSA-N 0 3 320.824 2.168 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C(C)=C1CCCC1 ZINC001485860597 1084936543 /nfs/dbraw/zinc/93/65/43/1084936543.db2.gz IGBWWEDKLSDNDF-UKRRQHHQSA-N 0 3 321.465 2.004 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1ccsc1 ZINC001485861963 1084937784 /nfs/dbraw/zinc/93/77/84/1084937784.db2.gz LRGPTMHYNYGGRC-NSHDSACASA-N 0 3 302.403 2.198 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)C1(c2cccc(F)c2)CC1 ZINC001485929950 1085001839 /nfs/dbraw/zinc/00/18/39/1085001839.db2.gz IQNNZVVKYNEZFW-CQSZACIVSA-N 0 3 302.393 2.317 20 30 DEEDHN C=CCCC(=O)NC[C@H](CO)NCc1cccc2ccccc21 ZINC001485979764 1085019360 /nfs/dbraw/zinc/01/93/60/1085019360.db2.gz OCXXCTOTMSJYNX-QGZVFWFLSA-N 0 3 312.413 2.373 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CO)NCc1ccc(F)cc1C ZINC001486000124 1085023495 /nfs/dbraw/zinc/02/34/95/1085023495.db2.gz LRSROMDLYSQODU-MRXNPFEDSA-N 0 3 322.424 2.303 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CO)NCCC(F)(F)F)CCCC1 ZINC001486067919 1085039556 /nfs/dbraw/zinc/03/95/56/1085039556.db2.gz LDOGMXIAYURADR-GFCCVEGCSA-N 0 3 322.371 2.142 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2scnc2C)[C@H]1C ZINC001486079209 1085064819 /nfs/dbraw/zinc/06/48/19/1085064819.db2.gz LBNHBQZLUZNYBC-ZIAGYGMSSA-N 0 3 305.447 2.334 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@H](NCCF)C[C@H]2C)cc1 ZINC001486111014 1085071110 /nfs/dbraw/zinc/07/11/10/1085071110.db2.gz YGRISPOYMPWKLY-GDBMZVCRSA-N 0 3 318.392 2.251 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3oc2=O)C1 ZINC001486127170 1085094274 /nfs/dbraw/zinc/09/42/74/1085094274.db2.gz FGIBXKKTQFCDKO-HIFRSBDPSA-N 0 3 324.380 2.009 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccccc2OC)C1 ZINC001486127446 1085094478 /nfs/dbraw/zinc/09/44/78/1085094478.db2.gz IGFMOBWJOCJADR-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001486201362 1085126896 /nfs/dbraw/zinc/12/68/96/1085126896.db2.gz SFDXEDFJOLWAOB-QWHCGFSZSA-N 0 3 313.405 2.022 20 30 DEEDHN Cc1ccncc1CN[C@@H]1CN(C(=O)C#CC(C)C)CC1(C)C ZINC001486231611 1085139696 /nfs/dbraw/zinc/13/96/96/1085139696.db2.gz NNKSRAUHRXKJCP-QGZVFWFLSA-N 0 3 313.445 2.376 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncnc1C ZINC000960246600 1085162448 /nfs/dbraw/zinc/16/24/48/1085162448.db2.gz DRTCBODJRZBMFD-QZTJIDSGSA-N 0 3 322.412 2.347 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NC/C=C\Cl)C(C)(C)C1 ZINC001486249278 1085165237 /nfs/dbraw/zinc/16/52/37/1085165237.db2.gz GJOFFZWGUPDCDR-FWWRYZNZSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C=C ZINC000960304497 1085188900 /nfs/dbraw/zinc/18/89/00/1085188900.db2.gz ORUYSBBWSJVFPR-ZJPYXAASSA-N 0 3 312.413 2.135 20 30 DEEDHN Cn1ncc2c1CCCN(CCCC1(C#N)CCOCC1)C2 ZINC001413010815 1085190002 /nfs/dbraw/zinc/19/00/02/1085190002.db2.gz KAEKVFJJXNZWQW-UHFFFAOYSA-N 0 3 302.422 2.269 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCC=C)nc1 ZINC000960327151 1085197653 /nfs/dbraw/zinc/19/76/53/1085197653.db2.gz NFRRNYBBKZNCOK-RTBURBONSA-N 0 3 317.392 2.234 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)c1c[nH]cn1 ZINC000960325811 1085197900 /nfs/dbraw/zinc/19/79/00/1085197900.db2.gz DKRWELMBCGDONF-NVXWUHKLSA-N 0 3 324.428 2.245 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(Cl)no1 ZINC000960327778 1085198089 /nfs/dbraw/zinc/19/80/89/1085198089.db2.gz STSRBZZXPHJXBU-IUODEOHRSA-N 0 3 317.776 2.499 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c(C)n[nH]c1C ZINC000960330614 1085199155 /nfs/dbraw/zinc/19/91/55/1085199155.db2.gz VDUBTDAPEFYQLF-IEBWSBKVSA-N 0 3 324.428 2.127 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC001486437926 1085313552 /nfs/dbraw/zinc/31/35/52/1085313552.db2.gz OUDVQBYRRNNYKT-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC001486475181 1085355326 /nfs/dbraw/zinc/35/53/26/1085355326.db2.gz CCFYHFJKSSWDBF-UHFFFAOYSA-N 0 3 302.422 2.220 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)C2=CCOCC2)c(F)c1 ZINC001486522846 1085406238 /nfs/dbraw/zinc/40/62/38/1085406238.db2.gz LHHKEILBBWZAKE-UHFFFAOYSA-N 0 3 304.365 2.064 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000960990046 1085529056 /nfs/dbraw/zinc/52/90/56/1085529056.db2.gz AXCDBDHIDJCIML-HALDLXJZSA-N 0 3 312.413 2.203 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000961168764 1085623380 /nfs/dbraw/zinc/62/33/80/1085623380.db2.gz LTASBNJXVYQOIP-MWDXBVQZSA-N 0 3 300.377 2.088 20 30 DEEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000965922002 1085694215 /nfs/dbraw/zinc/69/42/15/1085694215.db2.gz RZHVPSWCAMFEMT-QWHCGFSZSA-N 0 3 307.394 2.090 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001114896239 1085718853 /nfs/dbraw/zinc/71/88/53/1085718853.db2.gz LMPRUZUTVVKPRK-FICVDOATSA-N 0 3 319.474 2.334 20 30 DEEDHN COc1ccc(CNCCNC(=O)C2C=CC=CC=C2)cc1C#N ZINC001128384134 1085749404 /nfs/dbraw/zinc/74/94/04/1085749404.db2.gz GVWCVSNAPHNTGK-UHFFFAOYSA-N 0 3 323.396 2.071 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cc(F)ccc3F)CC2)C1=O ZINC001272975143 1085754280 /nfs/dbraw/zinc/75/42/80/1085754280.db2.gz BFUDHKRMBBAGDB-UHFFFAOYSA-N 0 3 318.367 2.413 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3ccc(C)c(C)c3)C2)OCC1=O ZINC001272987639 1085801755 /nfs/dbraw/zinc/80/17/55/1085801755.db2.gz FXHVJTXQSTVZBE-LJQANCHMSA-N 0 3 314.429 2.293 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c3cnccc13)C2 ZINC001095915971 1085877024 /nfs/dbraw/zinc/87/70/24/1085877024.db2.gz QWUUOPPZBCJCJC-HFTRVMKXSA-N 0 3 324.428 2.403 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000961984623 1085931504 /nfs/dbraw/zinc/93/15/04/1085931504.db2.gz ZESREXOPYMPNJX-IGKNDFSCSA-N 0 3 312.413 2.031 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC000962232612 1086028701 /nfs/dbraw/zinc/02/87/01/1086028701.db2.gz ABFFEMMUWTVZNM-MKVSYHDVSA-N 0 3 315.417 2.105 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2CCc1ccccc1F ZINC001273037198 1086058819 /nfs/dbraw/zinc/05/88/19/1086058819.db2.gz VPBZSZLFACKXBK-IBGZPJMESA-N 0 3 314.404 2.458 20 30 DEEDHN C=CCCCC(=O)N(C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001067636413 1086134536 /nfs/dbraw/zinc/13/45/36/1086134536.db2.gz ULHSIUFIWCMCOW-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN CC#CCNC1(CNC(=O)C2([C@@H]3CCCCO3)CCC2)CCC1 ZINC001273122185 1086274641 /nfs/dbraw/zinc/27/46/41/1086274641.db2.gz NTYRUFNUHXGRJT-INIZCTEOSA-N 0 3 318.461 2.378 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCCN3CCF)C2)c[nH]1 ZINC000963284175 1086384586 /nfs/dbraw/zinc/38/45/86/1086384586.db2.gz ARVSDVFFIHACTK-XJKSGUPXSA-N 0 3 318.396 2.172 20 30 DEEDHN CC[C@H](CC(F)F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001129138550 1086604266 /nfs/dbraw/zinc/60/42/66/1086604266.db2.gz VBICMSOPGLOKTO-CQSZACIVSA-N 0 3 309.360 2.445 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129184914 1086620159 /nfs/dbraw/zinc/62/01/59/1086620159.db2.gz ISUYMXZDUALAKF-XHSDSOJGSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129188795 1086622412 /nfs/dbraw/zinc/62/24/12/1086622412.db2.gz AYJZVAVWJVXVPV-XHSDSOJGSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CN(C)CCC ZINC001062331593 1086857020 /nfs/dbraw/zinc/85/70/20/1086857020.db2.gz WTVBRUPFYKEAQU-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNC(=O)CN(CC)CC)CC1 ZINC001486879084 1087010353 /nfs/dbraw/zinc/01/03/53/1087010353.db2.gz YSNUPYFBAZHEOK-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc(C(C)(C)C)c2)[C@@H](O)C1 ZINC001083880989 1087145764 /nfs/dbraw/zinc/14/57/64/1087145764.db2.gz HWJNXVBZINLFSG-SJORKVTESA-N 0 3 316.445 2.335 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)CCC1 ZINC001273179531 1087197222 /nfs/dbraw/zinc/19/72/22/1087197222.db2.gz IKKFFZXNLWAMGC-JKSUJKDBSA-N 0 3 306.450 2.089 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](O)C1 ZINC001083907186 1087638658 /nfs/dbraw/zinc/63/86/58/1087638658.db2.gz IGWOTUTVOHMKMO-CVEARBPZSA-N 0 3 320.433 2.453 20 30 DEEDHN Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001079588534 1088220105 /nfs/dbraw/zinc/22/01/05/1088220105.db2.gz INDWFORRYMLWRW-RDTXWAMCSA-N 0 3 322.412 2.445 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114729333 1088305194 /nfs/dbraw/zinc/30/51/94/1088305194.db2.gz PEYHJYUZVUABCU-ITQYTPKQSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001079737741 1088369916 /nfs/dbraw/zinc/36/99/16/1088369916.db2.gz ZOLQFWCQESCBIJ-RBSFLKMASA-N 0 3 316.449 2.407 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001080061645 1088599879 /nfs/dbraw/zinc/59/98/79/1088599879.db2.gz FGJNEKYBFJSWTM-HUUCEWRRSA-N 0 3 312.417 2.269 20 30 DEEDHN O=[N+]([O-])c1ccc(N=NC2CCN3CCC[C@H]23)c([N+](=O)[O-])c1 ZINC000606510890 1088617027 /nfs/dbraw/zinc/61/70/27/1088617027.db2.gz XUWDTWVSFDNHRP-GFCCVEGCSA-N 0 3 305.294 2.139 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001080231802 1088700264 /nfs/dbraw/zinc/70/02/64/1088700264.db2.gz VKIQGMQJJRNJOB-CXAGYDPISA-N 0 3 310.401 2.256 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC000958082249 1088782297 /nfs/dbraw/zinc/78/22/97/1088782297.db2.gz VZABVGABYMSLEX-HOTGVXAUSA-N 0 3 314.385 2.031 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000958113689 1088797669 /nfs/dbraw/zinc/79/76/69/1088797669.db2.gz ZNORGUIIQPVFMV-ZWKOTPCHSA-N 0 3 314.429 2.163 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cscc2Cl)C1 ZINC000958163670 1088824366 /nfs/dbraw/zinc/82/43/66/1088824366.db2.gz FCLSVDOHBGIVKI-MFKMUULPSA-N 0 3 314.838 2.000 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2CCC)C1 ZINC000958242489 1088877573 /nfs/dbraw/zinc/87/75/73/1088877573.db2.gz CRXQRIRIRQIIJB-FUHWJXTLSA-N 0 3 316.445 2.238 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(C)c(C)c2Cl)[C@H](O)C1 ZINC000958580396 1089070490 /nfs/dbraw/zinc/07/04/90/1089070490.db2.gz FZQBJPJYUWGAAZ-UKRRQHHQSA-N 0 3 322.836 2.165 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C3CC3)s2)C1 ZINC000958587852 1089076403 /nfs/dbraw/zinc/07/64/03/1089076403.db2.gz MODDOFBYDNIPBV-UONOGXRCSA-N 0 3 320.458 2.224 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cc(CC)c(CC)o2)[C@H](O)C1 ZINC000958595474 1089079970 /nfs/dbraw/zinc/07/99/70/1089079970.db2.gz RZHORNHHOKCOEU-HUUCEWRRSA-N 0 3 320.433 2.003 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001080622172 1089099978 /nfs/dbraw/zinc/09/99/78/1089099978.db2.gz IAKZXIBZYJGSON-JKIFEVAISA-N 0 3 312.413 2.083 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCCCN2C(=O)C(F)F)s1 ZINC000958819055 1089207056 /nfs/dbraw/zinc/20/70/56/1089207056.db2.gz CLSDYNWTJFENNC-JTQLQIEISA-N 0 3 313.373 2.356 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001081002946 1089276629 /nfs/dbraw/zinc/27/66/29/1089276629.db2.gz YXDLYVJIUISCFZ-BXUZGUMPSA-N 0 3 315.373 2.160 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001081001614 1089277579 /nfs/dbraw/zinc/27/75/79/1089277579.db2.gz VFLKPCWQBMPGPT-SJLPKXTDSA-N 0 3 310.441 2.486 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001081019832 1089309078 /nfs/dbraw/zinc/30/90/78/1089309078.db2.gz FZQQRVLCQANJMN-IUODEOHRSA-N 0 3 311.385 2.210 20 30 DEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001081051218 1089323298 /nfs/dbraw/zinc/32/32/98/1089323298.db2.gz SDAHQTBBDRKSSH-CHWSQXEVSA-N 0 3 323.462 2.306 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2coc(CC)n2)C[C@H]1c1ccccc1 ZINC001081108710 1089355116 /nfs/dbraw/zinc/35/51/16/1089355116.db2.gz AEXVMMVIFZXQNS-JKSUJKDBSA-N 0 3 323.396 2.068 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@H]1c1ccccc1 ZINC001081111216 1089357243 /nfs/dbraw/zinc/35/72/43/1089357243.db2.gz LOHDBPMHADWMSU-ZWKOTPCHSA-N 0 3 321.424 2.165 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001081275319 1089382348 /nfs/dbraw/zinc/38/23/48/1089382348.db2.gz QEQWYTOXHXDKLF-HZPDHXFCSA-N 0 3 306.381 2.221 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccn2C(C)C)[C@H](OC)C1 ZINC001082372982 1089885551 /nfs/dbraw/zinc/88/55/51/1089885551.db2.gz JURGGSJZAVQOBB-NVXWUHKLSA-N 0 3 319.449 2.464 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)c(F)cc(F)c1F ZINC000960026427 1089913559 /nfs/dbraw/zinc/91/35/59/1089913559.db2.gz JAOADBHWMUICTH-ATTMTXSRSA-N 0 3 314.282 2.089 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001098880736 1090027437 /nfs/dbraw/zinc/02/74/37/1090027437.db2.gz RIRACEYQKDKEKG-OAHLLOKOSA-N 0 3 319.449 2.438 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CC3(C)CCCC3)[C@H]2C1 ZINC001083072167 1090144893 /nfs/dbraw/zinc/14/48/93/1090144893.db2.gz VBKJNPOSMOXDFD-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](O)C1 ZINC001083977517 1090182805 /nfs/dbraw/zinc/18/28/05/1090182805.db2.gz FJLGAODNKSDZRF-CABCVRRESA-N 0 3 324.371 2.365 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc3ccccc32)[C@@H](O)C1 ZINC001084019775 1090186856 /nfs/dbraw/zinc/18/68/56/1090186856.db2.gz ITOUTHUCUUDAJV-MSOLQXFVSA-N 0 3 310.397 2.191 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](O)C1 ZINC001084106322 1090200751 /nfs/dbraw/zinc/20/07/51/1090200751.db2.gz SDYOJIFCWCNSEG-CABCVRRESA-N 0 3 306.406 2.144 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cncc4[nH]ccc43)[C@@H]2C1 ZINC001084485709 1090305516 /nfs/dbraw/zinc/30/55/16/1090305516.db2.gz SZLTXQWJBMPYCH-CXAGYDPISA-N 0 3 310.401 2.285 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)C(C)(F)F)C1 ZINC001410173912 1090376986 /nfs/dbraw/zinc/37/69/86/1090376986.db2.gz DQAZTSQGFVRISH-KYZUINATSA-N 0 3 311.170 2.035 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C1 ZINC001084696793 1090399148 /nfs/dbraw/zinc/39/91/48/1090399148.db2.gz IHHUKAUBHXTPPB-GDBMZVCRSA-N 0 3 312.417 2.076 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)[C@@H]2C1 ZINC001084715663 1090408928 /nfs/dbraw/zinc/40/89/28/1090408928.db2.gz PSEHFPPSWZMRAJ-TWMKSMIVSA-N 0 3 304.434 2.076 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ncoc3C3CC3)[C@@H]2C1 ZINC001084757863 1090427839 /nfs/dbraw/zinc/42/78/39/1090427839.db2.gz RKUPJFAEPXCFST-ZIAGYGMSSA-N 0 3 301.390 2.274 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001410211547 1090428035 /nfs/dbraw/zinc/42/80/35/1090428035.db2.gz YDYYZFXIBBRKIW-JOCQHMNTSA-N 0 3 323.824 2.200 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001084779484 1090443583 /nfs/dbraw/zinc/44/35/83/1090443583.db2.gz LAMXKZNFRBELSD-BZUAXINKSA-N 0 3 300.402 2.329 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)[C@@H]2C1 ZINC001084788086 1090445797 /nfs/dbraw/zinc/44/57/97/1090445797.db2.gz XJHORGBQHZDHCC-VXGBXAGGSA-N 0 3 302.340 2.131 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001098916957 1090449076 /nfs/dbraw/zinc/44/90/76/1090449076.db2.gz VTGNJCBEURAPOL-HOTGVXAUSA-N 0 3 316.449 2.074 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(OCC)cc3)[C@@H]2C1 ZINC001084806575 1090453639 /nfs/dbraw/zinc/45/36/39/1090453639.db2.gz VOINYDHVTPHTBZ-SJLPKXTDSA-N 0 3 312.413 2.255 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3csc(CC)n3)[C@@H]2C1 ZINC001084850567 1090476590 /nfs/dbraw/zinc/47/65/90/1090476590.db2.gz KBQDHXLHWJCBFJ-UKRRQHHQSA-N 0 3 319.474 2.357 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCOCC3)[C@@H]2C1 ZINC001084873255 1090489595 /nfs/dbraw/zinc/48/95/95/1090489595.db2.gz XNRJGANEWOEAGA-USXIJHARSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(C)c1F)CC2 ZINC001273253639 1090591622 /nfs/dbraw/zinc/59/16/22/1090591622.db2.gz JEQOVIJZRDBSRB-INIZCTEOSA-N 0 3 314.404 2.486 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CCCC3(F)F)C[C@@H]21 ZINC001085016855 1090592411 /nfs/dbraw/zinc/59/24/11/1090592411.db2.gz RFHIJTLQCVXEBP-KFWWJZLASA-N 0 3 310.388 2.368 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273283909 1090707475 /nfs/dbraw/zinc/70/74/75/1090707475.db2.gz BTBUXPGNKMLZDO-HUUCEWRRSA-N 0 3 304.365 2.283 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273283909 1090707479 /nfs/dbraw/zinc/70/74/79/1090707479.db2.gz BTBUXPGNKMLZDO-HUUCEWRRSA-N 0 3 304.365 2.283 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN2C[C@@H](O)c2ccccc2)C1=O ZINC001274561441 1091300420 /nfs/dbraw/zinc/30/04/20/1091300420.db2.gz RGRJLELEEWDXGB-IEBWSBKVSA-N 0 3 314.429 2.363 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001274599241 1091317436 /nfs/dbraw/zinc/31/74/36/1091317436.db2.gz HFJYMADCUBVHST-LLYBFZRZSA-N 0 3 300.402 2.084 20 30 DEEDHN C[C@@H]1CCN(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001412361471 1091348234 /nfs/dbraw/zinc/34/82/34/1091348234.db2.gz BVWJNMUCOOWHJJ-CQSZACIVSA-N 0 3 312.417 2.001 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H](C)NC(=O)C#CC1CC1 ZINC001274747765 1091395712 /nfs/dbraw/zinc/39/57/12/1091395712.db2.gz UMPAOZMRNPADAV-CQSZACIVSA-N 0 3 300.402 2.011 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cccc(C#N)n3)CC2)C1=O ZINC001274793823 1091421748 /nfs/dbraw/zinc/42/17/48/1091421748.db2.gz LEGFTRNSUDSVMG-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274794280 1091422159 /nfs/dbraw/zinc/42/21/59/1091422159.db2.gz ZGOHMSBLRHRXGM-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001494820073 1091490460 /nfs/dbraw/zinc/49/04/60/1091490460.db2.gz RQFXVPHIWAMJBX-DLBZAZTESA-N 0 3 308.466 2.384 20 30 DEEDHN N#Cc1cccc(F)c1C(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001275014874 1091515199 /nfs/dbraw/zinc/51/51/99/1091515199.db2.gz CIUBAQVCLPJFLZ-UHFFFAOYSA-N 0 3 313.376 2.398 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C)CCCCC1 ZINC001275029997 1091520075 /nfs/dbraw/zinc/52/00/75/1091520075.db2.gz LDLXKDFLEBQTHE-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](C)O ZINC001275071630 1091540207 /nfs/dbraw/zinc/54/02/07/1091540207.db2.gz FTTKYLYQEAHLLL-MZMPZRCHSA-N 0 3 302.418 2.095 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cc(C2CC2)no1 ZINC001275115600 1091566361 /nfs/dbraw/zinc/56/63/61/1091566361.db2.gz PFSRTJGIWSIGPV-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCCN[C@@H](C)c2cnccn2)cc1 ZINC001276161975 1091617045 /nfs/dbraw/zinc/61/70/45/1091617045.db2.gz KTQRFLDCOVYIAP-HNNXBMFYSA-N 0 3 322.412 2.271 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001275375213 1091696812 /nfs/dbraw/zinc/69/68/12/1091696812.db2.gz GSSPWIDUNQIBOR-GJZGRUSLSA-N 0 3 320.396 2.034 20 30 DEEDHN CCN1C[C@H](NC(=O)CSc2ccc(C#N)cc2)C(C)(C)C1 ZINC001412699685 1091699876 /nfs/dbraw/zinc/69/98/76/1091699876.db2.gz OEZGPSQISHPVIK-HNNXBMFYSA-N 0 3 317.458 2.497 20 30 DEEDHN CCC1(C(=O)N2CC[C@]3(CCN(CC#CCOC)C3)C2)CCC1 ZINC001671080630 1091759237 /nfs/dbraw/zinc/75/92/37/1091759237.db2.gz LVCADMVPHQDJPX-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)nc1 ZINC001275472285 1091780544 /nfs/dbraw/zinc/78/05/44/1091780544.db2.gz WIODZKQFCXZVIN-HUUCEWRRSA-N 0 3 317.433 2.267 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)C[C@]2(C)C1 ZINC001092061054 1091781314 /nfs/dbraw/zinc/78/13/14/1091781314.db2.gz ITTCYIPOIAXOKX-RKVPGOIHSA-N 0 3 316.470 2.340 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1occc1C(C)C ZINC001273569811 1091928367 /nfs/dbraw/zinc/92/83/67/1091928367.db2.gz XMHLPDXKIJMXDI-UHFFFAOYSA-N 0 3 306.406 2.105 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3cnccc3n2)CC1 ZINC000948809890 1091949243 /nfs/dbraw/zinc/94/92/43/1091949243.db2.gz VVWHFRHMDIEGHO-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273633007 1091966005 /nfs/dbraw/zinc/96/60/05/1091966005.db2.gz YDUVPEFENIMUSE-KBXCAEBGSA-N 0 3 312.417 2.176 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000948861011 1091969975 /nfs/dbraw/zinc/96/99/75/1091969975.db2.gz ISWRDQHUZDGWLA-CZUORRHYSA-N 0 3 316.449 2.076 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)COc1ccc2c(c1)CCC2 ZINC001275712320 1092030371 /nfs/dbraw/zinc/03/03/71/1092030371.db2.gz GHHVOKNEQJVRMY-CQSZACIVSA-N 0 3 302.418 2.177 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccoc1CC)CCO2 ZINC000949086338 1092046852 /nfs/dbraw/zinc/04/68/52/1092046852.db2.gz FRFHNAHDLAHZLR-UHFFFAOYSA-N 0 3 318.417 2.335 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)CC1 ZINC001280756389 1092255740 /nfs/dbraw/zinc/25/57/40/1092255740.db2.gz JXRQZAJRSMMGSB-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN CCC[C@H](C)C(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001273831518 1092267129 /nfs/dbraw/zinc/26/71/29/1092267129.db2.gz AVLPDQJODMAGIK-PKOBYXMFSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CC)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001494911079 1092298276 /nfs/dbraw/zinc/29/82/76/1092298276.db2.gz RUEQIRMTUVDWMD-UKRRQHHQSA-N 0 3 313.873 2.004 20 30 DEEDHN CC[C@@H](C[N-]C(=O)C(C)(F)F)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001494931815 1092308105 /nfs/dbraw/zinc/30/81/05/1092308105.db2.gz SRBZFZQXWAYHRQ-LBPRGKRZSA-N 0 3 313.323 2.337 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001488268467 1092463377 /nfs/dbraw/zinc/46/33/77/1092463377.db2.gz PZCYDHWOGIUWRO-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)Cn1cc(Cl)cn1 ZINC001488667121 1092673110 /nfs/dbraw/zinc/67/31/10/1092673110.db2.gz MDBRWSBUNNRLMI-AWEZNQCLSA-N 0 3 310.829 2.035 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCCc1csc(C)n1 ZINC001490197870 1093243836 /nfs/dbraw/zinc/24/38/36/1093243836.db2.gz ZXDHQMGGWUEVDH-UHFFFAOYSA-N 0 3 307.463 2.236 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1ccccc1Cl)C1CC1 ZINC001490394179 1093343626 /nfs/dbraw/zinc/34/36/26/1093343626.db2.gz SBUCQOLNGAJKBS-UHFFFAOYSA-N 0 3 304.821 2.486 20 30 DEEDHN Cc1cncc(CN2CCC3(C[C@@H]3NC(=O)[C@H](C)C#N)CC2)c1 ZINC001490587777 1093433017 /nfs/dbraw/zinc/43/30/17/1093433017.db2.gz OCCRIMVUUXLVOY-ZBFHGGJFSA-N 0 3 312.417 2.020 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](N[C@H](C)c2n[nH]c(C)n2)C2CC2)C1 ZINC001490705168 1093473312 /nfs/dbraw/zinc/47/33/12/1093473312.db2.gz LLMPDXGEOKAORB-BXUZGUMPSA-N 0 3 317.437 2.015 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC001490760849 1093513656 /nfs/dbraw/zinc/51/36/56/1093513656.db2.gz SLHCAZIPYANKTC-SFHVURJKSA-N 0 3 313.445 2.411 20 30 DEEDHN N#CC(C(=O)C[C@H]1COC(=O)C1)c1nccn1Cc1ccccc1 ZINC001649168865 1093736460 /nfs/dbraw/zinc/73/64/60/1093736460.db2.gz YMLDYEHJIMEZST-CABCVRRESA-N 0 3 323.352 2.061 20 30 DEEDHN N#CCCCN1CCC2(C[C@@H]2C(=O)NCc2ccncc2)CC1 ZINC001274039911 1093777729 /nfs/dbraw/zinc/77/77/29/1093777729.db2.gz BTCKVOBBIBUILN-MRXNPFEDSA-N 0 3 312.417 2.104 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc3c2CCO3)C1=O ZINC001274116089 1093807001 /nfs/dbraw/zinc/80/70/01/1093807001.db2.gz HCLCDOVTSGNXCN-LJQANCHMSA-N 0 3 312.413 2.374 20 30 DEEDHN Cc1csc(N2CCC(NCc3ccc(C#N)cn3)CC2)n1 ZINC001414101291 1151754348 /nfs/dbraw/zinc/75/43/48/1151754348.db2.gz NDGQGNRWPFJUOM-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001691734463 1138250558 /nfs/dbraw/zinc/25/05/58/1138250558.db2.gz KAIGWDNZEDFVHY-FZNQNYSPSA-N 0 3 316.449 2.372 20 30 DEEDHN CS[C@H](C)CCN1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001278065425 1138525766 /nfs/dbraw/zinc/52/57/66/1138525766.db2.gz XFWGFXWAWZZMPA-DVOMOZLQSA-N 0 3 307.463 2.155 20 30 DEEDHN CCOC(=O)[C@H]1CCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237469762 1138645243 /nfs/dbraw/zinc/64/52/43/1138645243.db2.gz BFUSODITLBZGPE-AWEZNQCLSA-N 0 3 311.385 2.435 20 30 DEEDHN C#CCN(C(=O)c1cc(CC)n[nH]1)C1CCN(CC(=C)C)CC1 ZINC001278121683 1138716233 /nfs/dbraw/zinc/71/62/33/1138716233.db2.gz JMKDQQFNISKDGV-UHFFFAOYSA-N 0 3 314.433 2.088 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)N[C@H]1CNCCOC1 ZINC001238108831 1138823217 /nfs/dbraw/zinc/82/32/17/1138823217.db2.gz LDVLGVBZOCGCGN-HNNXBMFYSA-N 0 3 320.499 2.035 20 30 DEEDHN C#CCNC[C@H](NC(=O)[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC001278207355 1138836906 /nfs/dbraw/zinc/83/69/06/1138836906.db2.gz PVSGWLVDRJUDJI-RBUKOAKNSA-N 0 3 322.408 2.399 20 30 DEEDHN COC(=O)CC[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC001238410154 1138844498 /nfs/dbraw/zinc/84/44/98/1138844498.db2.gz WYJTTYAOVXWOHV-ZDUSSCGKSA-N 0 3 302.374 2.342 20 30 DEEDHN N#Cc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001239230867 1139000862 /nfs/dbraw/zinc/00/08/62/1139000862.db2.gz GDGPVVIIBKKYFC-KRWDZBQOSA-N 0 3 306.369 2.394 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](NCc2cncn2C)[C@@H]1C ZINC001278293318 1139021702 /nfs/dbraw/zinc/02/17/02/1139021702.db2.gz MGVPIOKCRDYDIC-DOTOQJQBSA-N 0 3 316.449 2.083 20 30 DEEDHN CCCCCCCCNC(=S)N[C@H](C)[C@@H]1CNCCO1 ZINC001239376512 1139031286 /nfs/dbraw/zinc/03/12/86/1139031286.db2.gz ADPOKEFMPHRSQW-KGLIPLIRSA-N 0 3 301.500 2.188 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCN(CC)C(=O)[C@H]1CCCN1C ZINC001294453523 1139182583 /nfs/dbraw/zinc/18/25/83/1139182583.db2.gz ZHCOUIUOISPFJO-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001297919875 1139898755 /nfs/dbraw/zinc/89/87/55/1139898755.db2.gz BBVZUFSHSNNYAO-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1ncc(Cl)cc1Cl ZINC001491619523 1140209407 /nfs/dbraw/zinc/20/94/07/1140209407.db2.gz YTOZEZZUXHMYAM-SECBINFHSA-N 0 3 300.189 2.120 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(F)cc2F)C1 ZINC001278369990 1140234883 /nfs/dbraw/zinc/23/48/83/1140234883.db2.gz BTUBNNGBWOMVCP-DOMZBBRYSA-N 0 3 306.356 2.110 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](NCC#CC)C[C@@H]2C)cc1 ZINC001278372418 1140262991 /nfs/dbraw/zinc/26/29/91/1140262991.db2.gz UOJLEMARUXROQQ-WMZOPIPTSA-N 0 3 324.424 2.305 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCc2cncs2)C1 ZINC001318482805 1140346933 /nfs/dbraw/zinc/34/69/33/1140346933.db2.gz LVSMSTCQWHRWSS-CQSZACIVSA-N 0 3 305.447 2.022 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H](OC)C(F)(F)F)C1 ZINC001318486372 1140348492 /nfs/dbraw/zinc/34/84/92/1140348492.db2.gz YFKPVAUNJLRKQB-STQMWFEESA-N 0 3 322.371 2.453 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2cccc(OC)c2)C1 ZINC001318492111 1140349063 /nfs/dbraw/zinc/34/90/63/1140349063.db2.gz NLBNDGKRJDMWOL-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCC#Cc1ccc(Cl)cc1 ZINC001318508751 1140353533 /nfs/dbraw/zinc/35/35/33/1140353533.db2.gz WZDOFFDHDKTFDS-CJNGLKHVSA-N 0 3 317.820 2.336 20 30 DEEDHN C=CCCCC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001318920840 1140467208 /nfs/dbraw/zinc/46/72/08/1140467208.db2.gz OCSFBSKPBUZNLB-UHFFFAOYSA-N 0 3 315.461 2.407 20 30 DEEDHN CC(C)CCOCCN1CC[C@@](C)(NC(=O)C#CC2CC2)C1 ZINC001278389541 1140472441 /nfs/dbraw/zinc/47/24/41/1140472441.db2.gz UQAQALYUEYKXGR-GOSISDBHSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1 ZINC001318998317 1140487653 /nfs/dbraw/zinc/48/76/53/1140487653.db2.gz DZQPZCDCOWYREM-UHFFFAOYSA-N 0 3 309.369 2.205 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)CNCc1nc(C)c(C)s1 ZINC001319181892 1140519982 /nfs/dbraw/zinc/51/99/82/1140519982.db2.gz PTTCCODSHUHADL-GFCCVEGCSA-N 0 3 307.463 2.405 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)CN[C@@H](C)c1cnccn1 ZINC001319229301 1140529998 /nfs/dbraw/zinc/52/99/98/1140529998.db2.gz NIYCNCYLKWQAJQ-CABCVRRESA-N 0 3 302.422 2.073 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](NCc2cnc(C)nc2)C[C@H]1C ZINC001278398829 1140536834 /nfs/dbraw/zinc/53/68/34/1140536834.db2.gz PUWDWEBBOSHQOY-PBHICJAKSA-N 0 3 314.433 2.058 20 30 DEEDHN COCCC(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001319412992 1140566681 /nfs/dbraw/zinc/56/66/81/1140566681.db2.gz VMKSQIGWEMSRPI-CQSZACIVSA-N 0 3 322.836 2.165 20 30 DEEDHN CC(C)C#CC(=O)N(C)[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001319454022 1140580149 /nfs/dbraw/zinc/58/01/49/1140580149.db2.gz LNFMVKRKNSOCAL-ZDUSSCGKSA-N 0 3 307.825 2.331 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2csc(C(C)C)n2)C1 ZINC001278402672 1140607265 /nfs/dbraw/zinc/60/72/65/1140607265.db2.gz CGMBEXPAIHBAGS-QWHCGFSZSA-N 0 3 305.447 2.482 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001319527562 1140610448 /nfs/dbraw/zinc/61/04/48/1140610448.db2.gz IRJQSMDKRXCGMW-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN CCn1ccc(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)n1 ZINC001319539051 1140611672 /nfs/dbraw/zinc/61/16/72/1140611672.db2.gz DMQCOKIGSNCWKN-MRXNPFEDSA-N 0 3 324.428 2.005 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)c1c(C)coc1C ZINC001319607547 1140624732 /nfs/dbraw/zinc/62/47/32/1140624732.db2.gz DRKNZFKWZAPPQT-MRXNPFEDSA-N 0 3 320.433 2.280 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CNCCF)CC(C)C ZINC001319631552 1140629077 /nfs/dbraw/zinc/62/90/77/1140629077.db2.gz PCNXIVQIOVRLJV-KKUMJFAQSA-N 0 3 300.418 2.058 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cscn2)[C@@H](C)C1 ZINC001319708818 1140677569 /nfs/dbraw/zinc/67/75/69/1140677569.db2.gz GEYXTJWNUQCIPJ-DZGCQCFKSA-N 0 3 323.462 2.062 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)Cc1ccon1 ZINC001319736055 1140698998 /nfs/dbraw/zinc/69/89/98/1140698998.db2.gz NHCVQVHBCNRLLE-AWEZNQCLSA-N 0 3 311.813 2.330 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)Cc2ccc(C)cc2)C1 ZINC001278409573 1140741416 /nfs/dbraw/zinc/74/14/16/1140741416.db2.gz HQCPSAZMJSVTIK-IBGZPJMESA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001320018939 1140812804 /nfs/dbraw/zinc/81/28/04/1140812804.db2.gz WYWOYGVPIOSKIB-KRWDZBQOSA-N 0 3 302.418 2.265 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001320025455 1140813562 /nfs/dbraw/zinc/81/35/62/1140813562.db2.gz IAMJNJOFAGUMQI-CHWSQXEVSA-N 0 3 322.371 2.453 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnn(CCCC)c1C ZINC001320068669 1140817822 /nfs/dbraw/zinc/81/78/22/1140817822.db2.gz LOOAHULBWGVOAQ-UHFFFAOYSA-N 0 3 304.438 2.019 20 30 DEEDHN CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2CC#CCOC)C1 ZINC001320113445 1140823492 /nfs/dbraw/zinc/82/34/92/1140823492.db2.gz XZYRRULIJXRCDM-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](O)CN[C@H](C)c1ccccc1F ZINC001320226690 1140839619 /nfs/dbraw/zinc/83/96/19/1140839619.db2.gz FNCZRUHDBYLXAQ-ZIAGYGMSSA-N 0 3 308.397 2.310 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1cncs1 ZINC001320362339 1140855550 /nfs/dbraw/zinc/85/55/50/1140855550.db2.gz OAEILVVKMNWDFR-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN C=CC[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC001320424122 1140864030 /nfs/dbraw/zinc/86/40/30/1140864030.db2.gz FSCZJFSXGOBVMZ-LSDHHAIUSA-N 0 3 310.438 2.121 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1cc(C)ncn1 ZINC001320436991 1140865283 /nfs/dbraw/zinc/86/52/83/1140865283.db2.gz JHHWKEWZIJJZDI-CYBMUJFWSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1cc2n(n1)CCC2 ZINC001320518707 1140874277 /nfs/dbraw/zinc/87/42/77/1140874277.db2.gz VBMXBHOLAVJIQP-CQSZACIVSA-N 0 3 318.465 2.416 20 30 DEEDHN N#CC1(c2ccc(F)cc2)CCC(N[C@H]2CNCCC2=O)CC1 ZINC001246286529 1140881131 /nfs/dbraw/zinc/88/11/31/1140881131.db2.gz CHPWDUYLIUVHEJ-PQUAAJSLSA-N 0 3 315.392 2.050 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)COc2ccccc2OC)C1 ZINC001278443457 1140887538 /nfs/dbraw/zinc/88/75/38/1140887538.db2.gz AKKNJUNBNDOYSO-SFHVURJKSA-N 0 3 318.417 2.231 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(CC)CCNC/C=C\Cl ZINC001320902424 1140979828 /nfs/dbraw/zinc/97/98/28/1140979828.db2.gz HINFZYVZOWPQQM-YFHOEESVSA-N 0 3 304.821 2.401 20 30 DEEDHN CCc1ocnc1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001321013642 1141030815 /nfs/dbraw/zinc/03/08/15/1141030815.db2.gz NBEOWZKHKXHJHW-ARJAWSKDSA-N 0 3 324.384 2.184 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001321252163 1141098881 /nfs/dbraw/zinc/09/88/81/1141098881.db2.gz NKSHYMUKKMMWLQ-YRLOJYSSSA-N 0 3 318.392 2.179 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cccnc1OCC(C)C ZINC001321371132 1141210476 /nfs/dbraw/zinc/21/04/76/1141210476.db2.gz SVBFJVAJJZDZFQ-VOTSOKGWSA-N 0 3 315.417 2.015 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480442007 1151807784 /nfs/dbraw/zinc/80/77/84/1151807784.db2.gz PEHLVHMGJFSZBD-JTQLQIEISA-N 0 3 302.403 2.164 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001321756076 1141339062 /nfs/dbraw/zinc/33/90/62/1141339062.db2.gz IUTNLVZJTLJHSK-HUUCEWRRSA-N 0 3 320.408 2.063 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321955378 1141372161 /nfs/dbraw/zinc/37/21/61/1141372161.db2.gz FJLWDGJWYUOIOA-INIZCTEOSA-N 0 3 314.404 2.465 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001321979351 1141376855 /nfs/dbraw/zinc/37/68/55/1141376855.db2.gz YBYAFVILIBDQGW-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)CCn1nc(C)cc1C ZINC001322169739 1141433160 /nfs/dbraw/zinc/43/31/60/1141433160.db2.gz RYRZOGXKNYVPKD-OAHLLOKOSA-N 0 3 306.454 2.293 20 30 DEEDHN N#Cc1cc(Cl)c(-c2noc([C@@H]3CNCCN3)n2)cc1Cl ZINC001247715768 1141456114 /nfs/dbraw/zinc/45/61/14/1141456114.db2.gz GERYYCYQCLGZJI-NSHDSACASA-N 0 3 324.171 2.149 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C)nc2onc(C)c21 ZINC001322211162 1141464358 /nfs/dbraw/zinc/46/43/58/1141464358.db2.gz VJIJQGXPJAPZGN-NSHDSACASA-N 0 3 302.378 2.076 20 30 DEEDHN CN(CCCNCc1cccc(F)c1F)C(=O)C#CC1CC1 ZINC001322501895 1141614191 /nfs/dbraw/zinc/61/41/91/1141614191.db2.gz KSEOWLRTMBWXCX-UHFFFAOYSA-N 0 3 306.356 2.316 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)C[C@H](OC)C(F)(F)F ZINC001322780251 1141713421 /nfs/dbraw/zinc/71/34/21/1141713421.db2.gz OPBDTAPKVOWIKE-JTQLQIEISA-N 0 3 316.751 2.144 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC001323041681 1141804646 /nfs/dbraw/zinc/80/46/46/1141804646.db2.gz HUEPRXSBGHISKH-BFHYXJOUSA-N 0 3 309.410 2.209 20 30 DEEDHN O=C1C=C2CN(Cc3cnn4ccc(Cl)nc34)CCC2S1 ZINC001248874495 1141827015 /nfs/dbraw/zinc/82/70/15/1141827015.db2.gz HSFNCZYMEMTBRU-LLVKDONJSA-N 0 3 320.805 2.157 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 ZINC001323469822 1141856173 /nfs/dbraw/zinc/85/61/73/1141856173.db2.gz YCGHJFOBHYEDKJ-RDJZCZTQSA-N 0 3 312.413 2.060 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001323489193 1141858065 /nfs/dbraw/zinc/85/80/65/1141858065.db2.gz HVGMPSGRSRMCBL-HIFRSBDPSA-N 0 3 300.402 2.207 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@@H](C)c2cccc(OC)c2)CC1 ZINC001323625039 1141871661 /nfs/dbraw/zinc/87/16/61/1141871661.db2.gz SWWVKLAJWGBGEV-OAHLLOKOSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCCC ZINC001323776326 1141885727 /nfs/dbraw/zinc/88/57/27/1141885727.db2.gz PAHYRPWBVKZPAF-CALCHBBNSA-N 0 3 306.450 2.282 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CCCCOC)C2)CC1 ZINC001323826407 1141890688 /nfs/dbraw/zinc/89/06/88/1141890688.db2.gz ZILCQFMLVYOFLC-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC001324352819 1142061983 /nfs/dbraw/zinc/06/19/83/1142061983.db2.gz KRBREABFTHGHHG-UHFFFAOYSA-N 0 3 314.429 2.450 20 30 DEEDHN C#CCN(C(=O)CO[C@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001324384102 1142066609 /nfs/dbraw/zinc/06/66/09/1142066609.db2.gz DGQZNJJINUDVSQ-MRXNPFEDSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCN(C(=O)c1ccoc1CC)C1CCN(CCOC)CC1 ZINC001324387391 1142068149 /nfs/dbraw/zinc/06/81/49/1142068149.db2.gz VILUWPBFUAHYLC-UHFFFAOYSA-N 0 3 318.417 2.028 20 30 DEEDHN C#CCN(C(=O)c1ccc(C#C)nc1)C1CCN(CC(=C)C)CC1 ZINC001324439762 1142077674 /nfs/dbraw/zinc/07/76/74/1142077674.db2.gz LBKQSIRASXNIJE-UHFFFAOYSA-N 0 3 321.424 2.179 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCCCC1(C)C)C1CCN(CCO)CC1 ZINC001324440839 1142077716 /nfs/dbraw/zinc/07/77/16/1142077716.db2.gz GNEHLRBPBVBVCF-QGZVFWFLSA-N 0 3 320.477 2.121 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)C(CC)CC)CC2)C1 ZINC001324560922 1142106379 /nfs/dbraw/zinc/10/63/79/1142106379.db2.gz RVCXHJMHUFUZET-WMZOPIPTSA-N 0 3 321.509 2.463 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC001278626354 1142372318 /nfs/dbraw/zinc/37/23/18/1142372318.db2.gz AHYMGVNMBBKWJN-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCOC[C@H](O)CN[C@@H](c1ccncc1)c1ccccc1C ZINC001251820859 1142516700 /nfs/dbraw/zinc/51/67/00/1142516700.db2.gz ACAOATJABQUWKX-MJGOQNOKSA-N 0 3 310.397 2.080 20 30 DEEDHN Cc1cc(C)cc(OC[C@H](O)CNCC#C[C@H]2CCCCO2)c1 ZINC001336844112 1142595727 /nfs/dbraw/zinc/59/57/27/1142595727.db2.gz BCTZXJWNFGEEFZ-QZTJIDSGSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1ccccc1OC(F)(F)F ZINC001252451927 1142717809 /nfs/dbraw/zinc/71/78/09/1142717809.db2.gz ZWDKCHFSSAKUIN-LBPRGKRZSA-N 0 3 305.296 2.238 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1c(OC)cccc1C(F)(F)F ZINC001252485084 1142732814 /nfs/dbraw/zinc/73/28/14/1142732814.db2.gz ATSAIRKGOKATJV-NSHDSACASA-N 0 3 319.323 2.367 20 30 DEEDHN C[C@@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CSCC#N ZINC001331859708 1142740218 /nfs/dbraw/zinc/74/02/18/1142740218.db2.gz JCTIUMZLCGUDBB-ZJUUUORDSA-N 0 3 322.261 2.141 20 30 DEEDHN C=CCC[C@H](O)CN1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001252603927 1142785924 /nfs/dbraw/zinc/78/59/24/1142785924.db2.gz IUHXJSQYBMZMDZ-KGLIPLIRSA-N 0 3 318.392 2.183 20 30 DEEDHN CCN1CCN(C[C@@H](C)CNc2cc(C#N)cc(Cl)n2)CC1 ZINC001337789578 1142801980 /nfs/dbraw/zinc/80/19/80/1142801980.db2.gz IOKJJMLHTGRISV-ZDUSSCGKSA-N 0 3 321.856 2.292 20 30 DEEDHN COc1ccc(OC[C@@H](O)CNCc2cc(C#N)cs2)cc1 ZINC001252745565 1142813683 /nfs/dbraw/zinc/81/36/83/1142813683.db2.gz ONEZTUSSLBPZSH-ZDUSSCGKSA-N 0 3 318.398 2.158 20 30 DEEDHN Cc1cnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(C#N)c1 ZINC001252921229 1142831004 /nfs/dbraw/zinc/83/10/04/1142831004.db2.gz PLYIXCQYAXUASS-IBGZPJMESA-N 0 3 322.412 2.311 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC001253241577 1142856816 /nfs/dbraw/zinc/85/68/16/1142856816.db2.gz XSCHEUFQBZLFCE-DOTOQJQBSA-N 0 3 310.438 2.448 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001338551359 1142863285 /nfs/dbraw/zinc/86/32/85/1142863285.db2.gz MJLBUQFTTAQFJT-CQSZACIVSA-N 0 3 304.365 2.157 20 30 DEEDHN C[C@@](O)(CN1CCC[C@@H](CC#N)C1)C(=O)OCc1ccccc1 ZINC001253632844 1142886624 /nfs/dbraw/zinc/88/66/24/1142886624.db2.gz SGNNLXAELBZIPP-MAUKXSAKSA-N 0 3 316.401 2.106 20 30 DEEDHN C=CCn1c([C@H](O)C(C)C)nnc1N1CCN([C@H](C)CC)CC1 ZINC001339041266 1142906657 /nfs/dbraw/zinc/90/66/57/1142906657.db2.gz MWZMQTZIAVEVTA-HUUCEWRRSA-N 0 3 321.469 2.074 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(N(C)C(=O)CN(CC)CC)C1 ZINC001339198039 1142978367 /nfs/dbraw/zinc/97/83/67/1142978367.db2.gz ITNHZNMWDOYQGD-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1nc2ccccc2n1C ZINC001340089976 1143264278 /nfs/dbraw/zinc/26/42/78/1143264278.db2.gz IGLRSGOZPGJVQD-CYBMUJFWSA-N 0 3 300.406 2.215 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001278800665 1143292395 /nfs/dbraw/zinc/29/23/95/1143292395.db2.gz PIDGBDUUBFQKCH-SUMWQHHRSA-N 0 3 322.836 2.183 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC001254673973 1143309091 /nfs/dbraw/zinc/30/90/91/1143309091.db2.gz RXUNXGRQKFLOQU-DZGCQCFKSA-N 0 3 323.400 2.121 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC001340284008 1143316623 /nfs/dbraw/zinc/31/66/23/1143316623.db2.gz PYGRPYXXHLVOSE-HHXXYDBFSA-N 0 3 318.461 2.416 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC001340679350 1143397716 /nfs/dbraw/zinc/39/77/16/1143397716.db2.gz LWMPPTWTWVIKPA-CQSZACIVSA-N 0 3 301.390 2.218 20 30 DEEDHN C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001341516413 1143619467 /nfs/dbraw/zinc/61/94/67/1143619467.db2.gz MOGAODXEUBOPGQ-HUUCEWRRSA-N 0 3 303.454 2.417 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC001341574061 1143631129 /nfs/dbraw/zinc/63/11/29/1143631129.db2.gz KEIIPOCZPUWZLL-LSDHHAIUSA-N 0 3 314.433 2.076 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001342254005 1143806651 /nfs/dbraw/zinc/80/66/51/1143806651.db2.gz RUHYQXJFVXMNEI-ZNMIVQPWSA-N 0 3 301.438 2.120 20 30 DEEDHN N#Cc1ccc2c(c1)CN(C1CCN(c3ncccn3)CC1)CC2 ZINC001256055170 1143825990 /nfs/dbraw/zinc/82/59/90/1143825990.db2.gz GQDNJHHBHKSVOL-UHFFFAOYSA-N 0 3 319.412 2.375 20 30 DEEDHN CC(C)CN(Cc1ccccn1)C(=O)[C@@H](N)CCCCC#N ZINC001342612935 1143826525 /nfs/dbraw/zinc/82/65/25/1143826525.db2.gz KWJPNZXNUMKIFB-INIZCTEOSA-N 0 3 302.422 2.477 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCc2cncn2C1)C(C)C ZINC001278912179 1143830337 /nfs/dbraw/zinc/83/03/37/1143830337.db2.gz LCSWKLHSXMXANJ-INIZCTEOSA-N 0 3 318.465 2.190 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCC(=O)[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC001256553494 1143853515 /nfs/dbraw/zinc/85/35/15/1143853515.db2.gz HSMRWXFEANHIIO-NXHRZFHOSA-N 0 3 311.429 2.454 20 30 DEEDHN CC(C)C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804099 1143867617 /nfs/dbraw/zinc/86/76/17/1143867617.db2.gz LXBKTJFWNXTATB-JYJNAYRXSA-N 0 3 306.406 2.416 20 30 DEEDHN CC(C)C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)C(=O)N[O-] ZINC001256804098 1143867791 /nfs/dbraw/zinc/86/77/91/1143867791.db2.gz LXBKTJFWNXTATB-HRCADAONSA-N 0 3 306.406 2.416 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1csnn1)c1ccccc1CC ZINC001278968912 1143870768 /nfs/dbraw/zinc/87/07/68/1143870768.db2.gz BIDJNIWPWJHFKF-CQSZACIVSA-N 0 3 316.430 2.347 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)OC)c1ccccc1CC ZINC001278969263 1143871100 /nfs/dbraw/zinc/87/11/00/1143871100.db2.gz HJLMRCIGFRANRW-RHSMWYFYSA-N 0 3 302.418 2.054 20 30 DEEDHN N#CC1CCC(N2CC3CC2(C(=O)NCc2ccco2)C3)CC1 ZINC001256968538 1143877262 /nfs/dbraw/zinc/87/72/62/1143877262.db2.gz VXQDORUWFDYZAC-UHFFFAOYSA-N 0 3 313.401 2.443 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001279008001 1143897543 /nfs/dbraw/zinc/89/75/43/1143897543.db2.gz DABCOZPGLRZYIB-CYBMUJFWSA-N 0 3 321.469 2.336 20 30 DEEDHN C=C1C[C@@H]2CC(N3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@H](C1)C2 ZINC001257890282 1143958450 /nfs/dbraw/zinc/95/84/50/1143958450.db2.gz SXVHGPKCBQITOQ-UJJTZGENSA-N 0 3 318.461 2.445 20 30 DEEDHN CC(C)C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C(=O)N[O-] ZINC001258509961 1144015142 /nfs/dbraw/zinc/01/51/42/1144015142.db2.gz NUTBBWDDSUDXJL-INIZCTEOSA-N 0 3 305.422 2.165 20 30 DEEDHN CCN(CC)CCN(CC)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260041352 1144172052 /nfs/dbraw/zinc/17/20/52/1144172052.db2.gz IKKSBWXTDDENLR-UHFFFAOYSA-N 0 3 323.462 2.052 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC001263145627 1144358198 /nfs/dbraw/zinc/35/81/98/1144358198.db2.gz XWVFORGFLKSEGO-WMZOPIPTSA-N 0 3 302.418 2.444 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](OC)c1ccccc1 ZINC001263819092 1144400875 /nfs/dbraw/zinc/40/08/75/1144400875.db2.gz NOAHVGRBBZBVMA-DLBZAZTESA-N 0 3 302.418 2.483 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)OC)C1 ZINC001263883033 1144420161 /nfs/dbraw/zinc/42/01/61/1144420161.db2.gz IMDORLUAHVJTEK-RCCFBDPRSA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC001263921166 1144424481 /nfs/dbraw/zinc/42/44/81/1144424481.db2.gz IXORDXQKXCHICY-LSDHHAIUSA-N 0 3 318.465 2.397 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCOCC3CC3)C2)CC1 ZINC001263937044 1144426648 /nfs/dbraw/zinc/42/66/48/1144426648.db2.gz RZQVLQFGVPKWRC-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)c1ncc[nH]1 ZINC001263953882 1144430779 /nfs/dbraw/zinc/43/07/79/1144430779.db2.gz ZCVPQMXFMPOYBN-YPMHNXCESA-N 0 3 310.829 2.383 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001264382744 1144523364 /nfs/dbraw/zinc/52/33/64/1144523364.db2.gz OZRSSWGBQCICTG-XJKSGUPXSA-N 0 3 318.465 2.249 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001264390363 1144525944 /nfs/dbraw/zinc/52/59/44/1144525944.db2.gz QSGXIZNIQFCLDG-WDMOLILDSA-N 0 3 321.248 2.117 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCc2ccccc2)[C@H]1C ZINC001264728318 1144600721 /nfs/dbraw/zinc/60/07/21/1144600721.db2.gz HQMNPWIJYYKZKE-AEFFLSMTSA-N 0 3 316.445 2.401 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)[C@@H]2CC23CC3)CC(C)(C)C1 ZINC001264753953 1144606791 /nfs/dbraw/zinc/60/67/91/1144606791.db2.gz SFAZBBAHIUIQJZ-CVEARBPZSA-N 0 3 318.461 2.043 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1coc2ccccc12 ZINC001265076422 1144638596 /nfs/dbraw/zinc/63/85/96/1144638596.db2.gz UFZZECRQUVNRAD-UHFFFAOYSA-N 0 3 314.385 2.134 20 30 DEEDHN COCC#CCN(CCCNC(=O)CC1=CCCCC1)C1CC1 ZINC001265155693 1144656864 /nfs/dbraw/zinc/65/68/64/1144656864.db2.gz AYJSEXIBHBHWPW-UHFFFAOYSA-N 0 3 318.461 2.497 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCCN(CCC[C@@H]2CCOC2)C1 ZINC001265213548 1144668453 /nfs/dbraw/zinc/66/84/53/1144668453.db2.gz UMYZFSRAHPWIPO-SJORKVTESA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCN(CC[C@@H](C)F)CC1 ZINC001265263284 1144677488 /nfs/dbraw/zinc/67/74/88/1144677488.db2.gz ZOLVHTFAKVHMBD-WBVHZDCISA-N 0 3 313.461 2.071 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001265332713 1144695267 /nfs/dbraw/zinc/69/52/67/1144695267.db2.gz ZIPLQJMLGZBYQZ-IRXDYDNUSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccnnc2)CC1 ZINC001265341455 1144696245 /nfs/dbraw/zinc/69/62/45/1144696245.db2.gz QSKQVGVAERGBCE-UHFFFAOYSA-N 0 3 302.422 2.369 20 30 DEEDHN CC(F)(F)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001265343983 1144696509 /nfs/dbraw/zinc/69/65/09/1144696509.db2.gz QIGQXHSSZMMSMO-OAHLLOKOSA-N 0 3 306.356 2.178 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](CN(C)[C@@H](CC)C(N)=O)C1 ZINC001265392653 1144701290 /nfs/dbraw/zinc/70/12/90/1144701290.db2.gz JBVILFZHFWBEGQ-CABCVRRESA-N 0 3 323.481 2.023 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)COCC(F)F ZINC001265410290 1144702827 /nfs/dbraw/zinc/70/28/27/1144702827.db2.gz QZJZNPNAHGDSNV-MELADBBJSA-N 0 3 316.392 2.298 20 30 DEEDHN C[C@@H](C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C(F)(F)F ZINC001265491214 1144706871 /nfs/dbraw/zinc/70/68/71/1144706871.db2.gz SXXNIXNYJCNRGF-QEJZJMRPSA-N 0 3 324.346 2.473 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001265541565 1144710625 /nfs/dbraw/zinc/71/06/25/1144710625.db2.gz HNTBFOSGHBECOY-DFBGVHRSSA-N 0 3 317.437 2.179 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC001265642879 1144721363 /nfs/dbraw/zinc/72/13/63/1144721363.db2.gz BNTCAMWGPUJDKI-IJDCCNJMSA-N 0 3 317.433 2.201 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001265679532 1144726619 /nfs/dbraw/zinc/72/66/19/1144726619.db2.gz DWSYLDXLUVYMJK-MRXNPFEDSA-N 0 3 304.438 2.247 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001265679429 1144726883 /nfs/dbraw/zinc/72/68/83/1144726883.db2.gz DGVDBJDKVNMIKG-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001265856109 1144747734 /nfs/dbraw/zinc/74/77/34/1144747734.db2.gz JTULDQDPXHTMEW-OAHLLOKOSA-N 0 3 302.418 2.168 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001266102299 1144805828 /nfs/dbraw/zinc/80/58/28/1144805828.db2.gz HKMJUBBUTWORFD-IRXDYDNUSA-N 0 3 316.449 2.026 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001266119491 1144807422 /nfs/dbraw/zinc/80/74/22/1144807422.db2.gz GHPFHSZDMDSNHR-UCIFAOBLSA-N 0 3 300.446 2.225 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2cccnc2C)CC1 ZINC001266190416 1144812686 /nfs/dbraw/zinc/81/26/86/1144812686.db2.gz XESUJPHCCINNCF-UHFFFAOYSA-N 0 3 317.433 2.129 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@]12C[C@H]1COC2 ZINC001280325043 1144835801 /nfs/dbraw/zinc/83/58/01/1144835801.db2.gz PIKAMMBIPBILRK-HKUYNNGSSA-N 0 3 314.429 2.347 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2ccc(F)cc2F)CCC1 ZINC001280483115 1144842089 /nfs/dbraw/zinc/84/20/89/1144842089.db2.gz MNLCVLWVWJUOQW-UHFFFAOYSA-N 0 3 306.356 2.159 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(C)n([C@H](C)CC)n2)CCC1 ZINC001280490745 1144842400 /nfs/dbraw/zinc/84/24/00/1144842400.db2.gz DHEISPRKUMFUET-CYBMUJFWSA-N 0 3 302.422 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001280679960 1144849307 /nfs/dbraw/zinc/84/93/07/1144849307.db2.gz MFURYDCAAWOITN-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1ccc(F)cc1 ZINC001316610608 1144886295 /nfs/dbraw/zinc/88/62/95/1144886295.db2.gz UORSJLMBRJSUCH-OAHLLOKOSA-N 0 3 306.381 2.313 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](NCc2cncs2)[C@@H](C)C1 ZINC001281390236 1144886551 /nfs/dbraw/zinc/88/65/51/1144886551.db2.gz ZXIOFLJILMKGHQ-ZFWWWQNUSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001281861481 1144916871 /nfs/dbraw/zinc/91/68/71/1144916871.db2.gz BOZJOQVOIAFGNT-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC001281921142 1144920162 /nfs/dbraw/zinc/92/01/62/1144920162.db2.gz XECOLMRXIGLCNY-IRXDYDNUSA-N 0 3 306.450 2.468 20 30 DEEDHN Cc1ncc(CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)s1 ZINC001282129749 1144994429 /nfs/dbraw/zinc/99/44/29/1144994429.db2.gz UHLZWUAQSKFXOL-RYUDHWBXSA-N 0 3 307.463 2.484 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1c(C)nnn1CC ZINC001282191088 1145010793 /nfs/dbraw/zinc/01/07/93/1145010793.db2.gz GDMCSSOFMJIZAH-CHWSQXEVSA-N 0 3 321.469 2.192 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN(CC)CC ZINC001282197461 1145011983 /nfs/dbraw/zinc/01/19/83/1145011983.db2.gz WUJYTJPJYKZFIF-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)Cc1cccc(C)c1 ZINC001282378031 1145052378 /nfs/dbraw/zinc/05/23/78/1145052378.db2.gz IZALNDKJYUAMEW-YJBOKZPZSA-N 0 3 304.434 2.259 20 30 DEEDHN C#CCOCCC(=O)NC1(CNCC(=C)Cl)CCCCC1 ZINC001282607648 1145096192 /nfs/dbraw/zinc/09/61/92/1145096192.db2.gz ZEQAQMVYZYMTLL-UHFFFAOYSA-N 0 3 312.841 2.188 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cc1ccccc1F ZINC001282678698 1145123606 /nfs/dbraw/zinc/12/36/06/1145123606.db2.gz YXGSUDSNRLZILZ-INIZCTEOSA-N 0 3 302.393 2.362 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C1CN(CCc2scnc2C)C1 ZINC001282692114 1145127195 /nfs/dbraw/zinc/12/71/95/1145127195.db2.gz AYMWGZKKCFCNQZ-GFCCVEGCSA-N 0 3 307.463 2.397 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC001364375638 1145203633 /nfs/dbraw/zinc/20/36/33/1145203633.db2.gz MLTPSZZBKWKVOT-ROUUACIJSA-N 0 3 300.402 2.340 20 30 DEEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)[C@H]1CCCO1 ZINC001283125432 1145277847 /nfs/dbraw/zinc/27/78/47/1145277847.db2.gz WZSMYQINPIUIHO-RHSMWYFYSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1nn(C)cc1Cl ZINC001283175384 1145303618 /nfs/dbraw/zinc/30/36/18/1145303618.db2.gz AWRAUXVGOCPQDV-SNVBAGLBSA-N 0 3 319.236 2.314 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCCNC(=O)[C@@H]1CCCCN1CC ZINC001283275966 1145343840 /nfs/dbraw/zinc/34/38/40/1145343840.db2.gz NXRFEKJQRFHCEI-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001283553015 1145515970 /nfs/dbraw/zinc/51/59/70/1145515970.db2.gz GMHKZHANFXYVEM-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1cnc(C)nc1 ZINC001283664814 1145569102 /nfs/dbraw/zinc/56/91/02/1145569102.db2.gz FTTVJGUDKFQFFI-ZFWWWQNUSA-N 0 3 304.438 2.324 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1ccccc1OC(C)C ZINC001283691703 1145588725 /nfs/dbraw/zinc/58/87/25/1145588725.db2.gz MJYLLNZVMVMXMP-INIZCTEOSA-N 0 3 316.445 2.476 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)NCc1ccc(C)c(C)c1 ZINC001283760199 1145634882 /nfs/dbraw/zinc/63/48/82/1145634882.db2.gz USYGYCIUCUCKOV-KRWDZBQOSA-N 0 3 304.434 2.226 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](CO)N[C@H](C)c2ccccc2)cc1 ZINC001283792934 1145648674 /nfs/dbraw/zinc/64/86/74/1145648674.db2.gz QEOVKJJAWMLBAJ-DNVCBOLYSA-N 0 3 322.408 2.109 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)N[C@H]1CCc2ccccc21 ZINC001283792242 1145648976 /nfs/dbraw/zinc/64/89/76/1145648976.db2.gz JVQDARCGPJZCBC-RDJZCZTQSA-N 0 3 316.445 2.343 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC001283967467 1145730309 /nfs/dbraw/zinc/73/03/09/1145730309.db2.gz JNNBQUGNVCPHSO-WBVHZDCISA-N 0 3 304.434 2.106 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC001284118733 1145802557 /nfs/dbraw/zinc/80/25/57/1145802557.db2.gz BBINVXGCNSTHAS-PBHICJAKSA-N 0 3 319.449 2.362 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCC(NC(=O)CN(C)CCC)CC1 ZINC001284186220 1145814243 /nfs/dbraw/zinc/81/42/43/1145814243.db2.gz DZRBXCPCFVHWDO-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNCc1ccccc1F ZINC001284418884 1145851935 /nfs/dbraw/zinc/85/19/35/1145851935.db2.gz VZNREPOAJCBWDY-OAHLLOKOSA-N 0 3 322.424 2.337 20 30 DEEDHN CC(C)(C)[C@@H](CNCc1ccns1)NC(=O)C#CC1CC1 ZINC001284588351 1145875021 /nfs/dbraw/zinc/87/50/21/1145875021.db2.gz ZUSPKCFGTPOLHC-CQSZACIVSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCCCC(=O)N[C@@H](CN[C@@H]1CCN(CC)C1=O)C(C)(C)C ZINC001284625027 1145881099 /nfs/dbraw/zinc/88/10/99/1145881099.db2.gz MGVOVICCHBOESU-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)CN(CC)CC ZINC001284681678 1145889596 /nfs/dbraw/zinc/88/95/96/1145889596.db2.gz OUNMFWGPVGCFBY-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)OCC(C)C)C1 ZINC001365810374 1146016979 /nfs/dbraw/zinc/01/69/79/1146016979.db2.gz UPYQKLTVTAZXCN-MELADBBJSA-N 0 3 302.846 2.284 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001285689824 1146285369 /nfs/dbraw/zinc/28/53/69/1146285369.db2.gz QJPWDAFLBWPUBE-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001285706694 1146297592 /nfs/dbraw/zinc/29/75/92/1146297592.db2.gz HIPFECYECOJZJC-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001285903467 1146353253 /nfs/dbraw/zinc/35/32/53/1146353253.db2.gz NXGPWRQJZQQSDB-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCCCn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001286315922 1146554827 /nfs/dbraw/zinc/55/48/27/1146554827.db2.gz HITRYOVTGHXKCH-HUUCEWRRSA-N 0 3 303.454 2.309 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccsc2COC)C1 ZINC001491932254 1147005885 /nfs/dbraw/zinc/00/58/85/1147005885.db2.gz GRVWOLLRBJYOGH-AWEZNQCLSA-N 0 3 320.458 2.454 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1cnc(C)cn1 ZINC001492089667 1147091119 /nfs/dbraw/zinc/09/11/19/1147091119.db2.gz DVYNYBCYAIXSLC-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001492226204 1147165466 /nfs/dbraw/zinc/16/54/66/1147165466.db2.gz GSDMUFNQYQFIJM-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)Cc1ccccc1CC ZINC001492237167 1147177770 /nfs/dbraw/zinc/17/77/70/1147177770.db2.gz UTSUZDXQVUDONT-SFHVURJKSA-N 0 3 304.434 2.124 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccn(C(F)F)n1 ZINC001366462226 1147294367 /nfs/dbraw/zinc/29/43/67/1147294367.db2.gz JHIQXIBMJNSWSL-SECBINFHSA-N 0 3 306.744 2.129 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CN[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001317333116 1147350404 /nfs/dbraw/zinc/35/04/04/1147350404.db2.gz BOLRJBKLDDEODS-KBPBESRZSA-N 0 3 319.453 2.223 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1ccc2cnccc2c1 ZINC001316838430 1147353062 /nfs/dbraw/zinc/35/30/62/1147353062.db2.gz KTSZTOMSILZOFG-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN CCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(CCCF)C1 ZINC001366814396 1147575692 /nfs/dbraw/zinc/57/56/92/1147575692.db2.gz TZRMPVIHGCIPGH-CQSZACIVSA-N 0 3 306.385 2.172 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001316764205 1147595498 /nfs/dbraw/zinc/59/54/98/1147595498.db2.gz OFGPPWOBDJCFDX-QZTJIDSGSA-N 0 3 320.477 2.243 20 30 DEEDHN CS[C@H](C)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001316814143 1147605245 /nfs/dbraw/zinc/60/52/45/1147605245.db2.gz NXDUFASDWWBOQL-ODIFPOPNSA-N 0 3 316.470 2.274 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001366890732 1147609871 /nfs/dbraw/zinc/60/98/71/1147609871.db2.gz XZKHQQKHSSWNGD-RHSMWYFYSA-N 0 3 317.408 2.499 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CN(CCCc2ccc(Cl)cc2)C1 ZINC001366961694 1147625832 /nfs/dbraw/zinc/62/58/32/1147625832.db2.gz KUXXWHIGRLRSGN-CYBMUJFWSA-N 0 3 319.836 2.480 20 30 DEEDHN O=C(C#CC1CC1)NCCCN(CCC(F)(F)F)C1CC1 ZINC001316915778 1147630945 /nfs/dbraw/zinc/63/09/45/1147630945.db2.gz YFCGDUPGQQQENV-UHFFFAOYSA-N 0 3 302.340 2.323 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H](C)C(C)(C)C)C1CC1 ZINC001316918027 1147631390 /nfs/dbraw/zinc/63/13/90/1147631390.db2.gz NQJXYDATMAMBCI-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001316942048 1147635707 /nfs/dbraw/zinc/63/57/07/1147635707.db2.gz UTZCAVUYUMWIQL-INIZCTEOSA-N 0 3 322.474 2.464 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001316947499 1147637084 /nfs/dbraw/zinc/63/70/84/1147637084.db2.gz MKXHIXFPYJNCTR-JKSUJKDBSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCC1(C(=O)NCCN2CCN(CC3CC3)CC2)CCCC1 ZINC001316968725 1147640215 /nfs/dbraw/zinc/64/02/15/1147640215.db2.gz XWGRVRCTUKTBNO-UHFFFAOYSA-N 0 3 319.493 2.267 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C[C@H]3CCCCO3)C2)CCC1 ZINC001316987350 1147644632 /nfs/dbraw/zinc/64/46/32/1147644632.db2.gz SMIPKUIQIOOQQK-HZPDHXFCSA-N 0 3 306.450 2.492 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001367081924 1147646389 /nfs/dbraw/zinc/64/63/89/1147646389.db2.gz AQMUQWXGNJUUNO-NEPJUHHUSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](NCc1cncn1C)C1CC1 ZINC001317022958 1147649271 /nfs/dbraw/zinc/64/92/71/1147649271.db2.gz MBCFSZHVLXWRNT-DOTOQJQBSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001317117669 1147661899 /nfs/dbraw/zinc/66/18/99/1147661899.db2.gz XNPJTKUMJGMVKF-BETUJISGSA-N 0 3 319.453 2.195 20 30 DEEDHN C=C(Cl)CNCc1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC001367211090 1147664779 /nfs/dbraw/zinc/66/47/79/1147664779.db2.gz WORKVCKFQYSDGG-MRXNPFEDSA-N 0 3 323.868 2.485 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)Cc1c(C)noc1Cl ZINC001317176812 1147671466 /nfs/dbraw/zinc/67/14/66/1147671466.db2.gz PEJGIALUASVHBP-ZDUSSCGKSA-N 0 3 323.824 2.173 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)NCCC ZINC001317186873 1147673151 /nfs/dbraw/zinc/67/31/51/1147673151.db2.gz USKMBTMJYSRVMR-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C=C2CCC2)cc1C#N ZINC001317242549 1147681763 /nfs/dbraw/zinc/68/17/63/1147681763.db2.gz WMZFKFFAQRQNCO-CYBMUJFWSA-N 0 3 313.401 2.271 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001317257274 1147683123 /nfs/dbraw/zinc/68/31/23/1147683123.db2.gz PLKRCPUQPQXQTR-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N[C@H](C)C(=O)NC1CCCC1 ZINC001317258593 1147683424 /nfs/dbraw/zinc/68/34/24/1147683424.db2.gz SZMBSSVNSLAOMB-ZIAGYGMSSA-N 0 3 323.481 2.130 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001317272087 1147684775 /nfs/dbraw/zinc/68/47/75/1147684775.db2.gz QNFQONCUFJLJAZ-HOTGVXAUSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001317374127 1147698409 /nfs/dbraw/zinc/69/84/09/1147698409.db2.gz CCXVZEZCKBCUKO-ZIAGYGMSSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001317374127 1147698410 /nfs/dbraw/zinc/69/84/10/1147698410.db2.gz CCXVZEZCKBCUKO-ZIAGYGMSSA-N 0 3 318.421 2.073 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](O)C(C)C ZINC001317420291 1147704333 /nfs/dbraw/zinc/70/43/33/1147704333.db2.gz AQAWEFWURUHZRM-UONOGXRCSA-N 0 3 302.846 2.117 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCN1C[C@H]1CC(C)(C)CO1 ZINC001317505238 1147716899 /nfs/dbraw/zinc/71/68/99/1147716899.db2.gz NPSJVCPXYSXJMR-HZPDHXFCSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)COc2cccc(CC)c2)C1 ZINC001317534725 1147721606 /nfs/dbraw/zinc/72/16/06/1147721606.db2.gz KNTNLZIBKCWZPG-KRWDZBQOSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCN(CCC)CCNC(=O)COc1c(C)cc(C)cc1C ZINC001317547832 1147723136 /nfs/dbraw/zinc/72/31/36/1147723136.db2.gz ONHDMYKJQYMJDU-UHFFFAOYSA-N 0 3 316.445 2.452 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CNCc1cc(Cl)cc2c1OCC2 ZINC001367663950 1147723782 /nfs/dbraw/zinc/72/37/82/1147723782.db2.gz SZOJTYRFPMJYDU-GHMZBOCLSA-N 0 3 321.808 2.029 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1COc2cc(F)ccc2C1)C1CC1 ZINC001317553466 1147724189 /nfs/dbraw/zinc/72/41/89/1147724189.db2.gz XVZFWCOHDWQTOD-AWEZNQCLSA-N 0 3 318.392 2.143 20 30 DEEDHN CCO[C@@H](CN(CCNC(=O)C#CC(C)(C)C)C1CC1)C1CC1 ZINC001317552700 1147724391 /nfs/dbraw/zinc/72/43/91/1147724391.db2.gz LSZFVNBDNAUCIE-KRWDZBQOSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN(CCNC(=O)Cc1c(C)cc(C)[nH]c1=O)C1CC1 ZINC001317554347 1147724524 /nfs/dbraw/zinc/72/45/24/1147724524.db2.gz HGYNCHYENRQYHP-UHFFFAOYSA-N 0 3 317.433 2.103 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)C1CCCC1 ZINC001367722177 1147732825 /nfs/dbraw/zinc/73/28/25/1147732825.db2.gz JNBIWYMHAFKVQQ-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN CC[C@H](C)C(=O)N[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001367722924 1147732937 /nfs/dbraw/zinc/73/29/37/1147732937.db2.gz QRPSGNHWICDDAV-STQMWFEESA-N 0 3 303.406 2.207 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCNCc1cccc(NC(C)=O)c1 ZINC001317619024 1147733591 /nfs/dbraw/zinc/73/35/91/1147733591.db2.gz QDLVNUVOPZOUDF-UHFFFAOYSA-N 0 3 317.433 2.405 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cc1ccco1 ZINC001367762204 1147739269 /nfs/dbraw/zinc/73/92/69/1147739269.db2.gz IOOWPCKFXFQXDF-LBPRGKRZSA-N 0 3 315.348 2.127 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1nn(C)cc1C)c1ccccc1 ZINC001317719283 1147747007 /nfs/dbraw/zinc/74/70/07/1147747007.db2.gz UXRDAGSPGJVGPI-MRXNPFEDSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnc(Cl)n1C)c1ccccc1 ZINC001317720178 1147747209 /nfs/dbraw/zinc/74/72/09/1147747209.db2.gz BARCMDDBXIEDLX-ZDUSSCGKSA-N 0 3 318.808 2.320 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cnn(C)c2Cl)C1 ZINC001317762797 1147750062 /nfs/dbraw/zinc/75/00/62/1147750062.db2.gz ZTBMDZSKTXPEMD-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)CC2CCCC2)C1 ZINC001317774246 1147750950 /nfs/dbraw/zinc/75/09/50/1147750950.db2.gz WSVWSDAZSNPFEW-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001367862147 1147763028 /nfs/dbraw/zinc/76/30/28/1147763028.db2.gz NJDUXAMOPJWFFN-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001367862144 1147763109 /nfs/dbraw/zinc/76/31/09/1147763109.db2.gz NJDUXAMOPJWFFN-KGLIPLIRSA-N 0 3 301.862 2.050 20 30 DEEDHN CCCCC1(C(=O)NCC[C@@H]2CCN(CC#CCOC)C2)CC1 ZINC001317801581 1147753748 /nfs/dbraw/zinc/75/37/48/1147753748.db2.gz QKRZCTJLNBLYIH-QGZVFWFLSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001367862143 1147763133 /nfs/dbraw/zinc/76/31/33/1147763133.db2.gz NJDUXAMOPJWFFN-KBPBESRZSA-N 0 3 301.862 2.050 20 30 DEEDHN Cc1cccc([C@@H](C)N2CC(CNC(=O)CSCC#N)C2)c1 ZINC001318109032 1147772745 /nfs/dbraw/zinc/77/27/45/1147772745.db2.gz XDHPPLBLMUDWIF-CQSZACIVSA-N 0 3 317.458 2.361 20 30 DEEDHN C=C[C@@H](C(=O)NCC1CN(C[C@@H](C)OC)C1)c1ccccc1 ZINC001318175676 1147788757 /nfs/dbraw/zinc/78/87/57/1147788757.db2.gz DBGNDMGSEAYNCL-RHSMWYFYSA-N 0 3 302.418 2.039 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H](OC(C)C)c2ccccc2)C1 ZINC001318184727 1147792831 /nfs/dbraw/zinc/79/28/31/1147792831.db2.gz MLDQLLBWBRBLGP-SFHVURJKSA-N 0 3 314.429 2.224 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(CCCOc2ccccc2)C1 ZINC001318384690 1147819156 /nfs/dbraw/zinc/81/91/56/1147819156.db2.gz AQRVYQAFIBKRPI-HOTGVXAUSA-N 0 3 315.417 2.148 20 30 DEEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(CCn2cccn2)C1 ZINC001318405726 1147822585 /nfs/dbraw/zinc/82/25/85/1147822585.db2.gz AHZLGHKVWNWNKC-KRWDZBQOSA-N 0 3 316.449 2.184 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC001324892027 1147855837 /nfs/dbraw/zinc/85/58/37/1147855837.db2.gz HEVBCXCIJPCMIB-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(OCC)nc2)C1 ZINC001324935412 1147860280 /nfs/dbraw/zinc/86/02/80/1147860280.db2.gz DTJDDNLDVNVDFN-GOSISDBHSA-N 0 3 317.433 2.498 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2cncc(C)c2)C1 ZINC001324948831 1147861566 /nfs/dbraw/zinc/86/15/66/1147861566.db2.gz VXJSQWOZRJHIIT-GOSISDBHSA-N 0 3 301.434 2.337 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001325614788 1147964321 /nfs/dbraw/zinc/96/43/21/1147964321.db2.gz IELBTLUSBGLBSQ-IRXDYDNUSA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H](OC)C(F)(F)F)[C@@H]2C1 ZINC001325954326 1148023925 /nfs/dbraw/zinc/02/39/25/1148023925.db2.gz AXVPNQMHWRFZQD-YNEHKIRRSA-N 0 3 320.355 2.063 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCc2ccncn2)cc1 ZINC001326467882 1148107955 /nfs/dbraw/zinc/10/79/55/1148107955.db2.gz HXLBACALYUYJCN-OAHLLOKOSA-N 0 3 322.412 2.009 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCO[C@@H]1C ZINC001326495286 1148115408 /nfs/dbraw/zinc/11/54/08/1148115408.db2.gz RISSTCJSIBUGMS-RHSMWYFYSA-N 0 3 302.418 2.346 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)C(C)(F)F)cccc2C1 ZINC001326671068 1148194681 /nfs/dbraw/zinc/19/46/81/1148194681.db2.gz VFHCMGIBSWMCCP-UHFFFAOYSA-N 0 3 306.356 2.339 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2ccc(OC)c(F)c2)CCC1 ZINC001326854741 1148270459 /nfs/dbraw/zinc/27/04/59/1148270459.db2.gz DSNSWDLBXKVMAU-UHFFFAOYSA-N 0 3 318.392 2.029 20 30 DEEDHN Cc1ccccc1OCCN1CC[C@](C)(NC(=O)[C@@H](C)C#N)C1 ZINC001368154060 1148282824 /nfs/dbraw/zinc/28/28/24/1148282824.db2.gz PJVYEVUVPQMVBM-YJBOKZPZSA-N 0 3 315.417 2.114 20 30 DEEDHN CC#CCNC1(CNC(=O)COc2ccccc2C)CCC1 ZINC001326924717 1148291658 /nfs/dbraw/zinc/29/16/58/1148291658.db2.gz KZNVHCFIWLGYIW-UHFFFAOYSA-N 0 3 300.402 2.026 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2ccc(OCC=C)cc2)CCC1 ZINC001326937034 1148294158 /nfs/dbraw/zinc/29/41/58/1148294158.db2.gz GFCBHQBGQOYVMB-UHFFFAOYSA-N 0 3 312.413 2.056 20 30 DEEDHN CN(C)C(=O)c1cc(NC(=O)[C@H](N)CCCC#N)ccc1Cl ZINC000424088809 230594939 /nfs/dbraw/zinc/59/49/39/230594939.db2.gz HFKSZYSNQVCOPP-CYBMUJFWSA-N 0 3 322.796 2.001 20 30 DEEDHN Cc1c(Cl)cnc(N2CC[C@@H](OCCN(C)C)C2)c1C#N ZINC000612084853 361741304 /nfs/dbraw/zinc/74/13/04/361741304.db2.gz ZZCAYLBKTYBRND-GFCCVEGCSA-N 0 3 308.813 2.072 20 30 DEEDHN C=CC[C@@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccs1 ZINC000090604456 185306222 /nfs/dbraw/zinc/30/62/22/185306222.db2.gz RIPLFJWPNZGRHZ-NEPJUHHUSA-N 0 3 302.465 2.217 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)/C=C\c2cccc(C#N)c2)CCSC1 ZINC000492065281 282228725 /nfs/dbraw/zinc/22/87/25/282228725.db2.gz DMDPODLYKNARQH-JTGQJZMRSA-N 0 3 315.442 2.125 20 30 DEEDHN COC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000181561884 199318010 /nfs/dbraw/zinc/31/80/10/199318010.db2.gz ZRUDTJRKSBYVLH-QMTHXVAHSA-N 0 3 305.378 2.110 20 30 DEEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000181560551 199318273 /nfs/dbraw/zinc/31/82/73/199318273.db2.gz BAFHXCNTMRFRBI-CXAGYDPISA-N 0 3 312.369 2.354 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000614596530 362416512 /nfs/dbraw/zinc/41/65/12/362416512.db2.gz RFOBXFBCHJRXPY-PBHICJAKSA-N 0 3 322.474 2.274 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248808884 530033219 /nfs/dbraw/zinc/03/32/19/530033219.db2.gz KHWXXHAXHVZNRZ-GZBFAFLISA-N 0 3 321.446 2.328 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134342115 788867467 /nfs/dbraw/zinc/86/74/67/788867467.db2.gz YWHCQASFHMIHDA-STQMWFEESA-N 0 3 315.255 2.427 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000595460595 358454896 /nfs/dbraw/zinc/45/48/96/358454896.db2.gz FIIVLZDRYVHEKD-CZUORRHYSA-N 0 3 300.406 2.403 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N(C)CC2CCOCC2)c(C#N)c1C ZINC000155783028 186112782 /nfs/dbraw/zinc/11/27/82/186112782.db2.gz LRRUJUWBILRUKC-GFCCVEGCSA-N 0 3 319.405 2.454 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)C(C)C ZINC000177851127 186193645 /nfs/dbraw/zinc/19/36/45/186193645.db2.gz MSELCAOYBWQMRC-MRXNPFEDSA-N 0 3 300.406 2.315 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ncoc1-c1ccc(C)cc1 ZINC000294055259 186657986 /nfs/dbraw/zinc/65/79/86/186657986.db2.gz UQAJZHICCWXWFA-UHFFFAOYSA-N 0 3 311.385 2.335 20 30 DEEDHN C[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000617263874 363070086 /nfs/dbraw/zinc/07/00/86/363070086.db2.gz UPPNQCCHYNXXOZ-ZBFHGGJFSA-N 0 3 320.458 2.320 20 30 DEEDHN C#CCCOc1ccc(CNCCNC(=O)C(C)(C)C)cc1 ZINC000172119451 198042553 /nfs/dbraw/zinc/04/25/53/198042553.db2.gz NTXMZBSUTAXDCK-UHFFFAOYSA-N 0 3 302.418 2.341 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](O)CC23CCC3)CC1 ZINC000333824383 539973051 /nfs/dbraw/zinc/97/30/51/539973051.db2.gz IGAZQWCDOBZZES-MRXNPFEDSA-N 0 3 321.465 2.116 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccccc1C#N)N1CCCC[C@H]1C ZINC000032732464 354153383 /nfs/dbraw/zinc/15/33/83/354153383.db2.gz OJPDGYMTEBBPDK-CABCVRRESA-N 0 3 315.417 2.316 20 30 DEEDHN CCN1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000043292233 354218095 /nfs/dbraw/zinc/21/80/95/354218095.db2.gz BYQRPNVTTWFXLM-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN CCN1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000048514260 354353538 /nfs/dbraw/zinc/35/35/38/354353538.db2.gz BOPXCEOVKZAMGC-UHFFFAOYSA-N 0 3 302.378 2.195 20 30 DEEDHN CCCCN1CCC(NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000068902633 354838297 /nfs/dbraw/zinc/83/82/97/354838297.db2.gz PJFCWGFQVINXIE-UHFFFAOYSA-N 0 3 321.446 2.101 20 30 DEEDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000068902744 354838604 /nfs/dbraw/zinc/83/86/04/354838604.db2.gz ASQLFURGVKAQPW-UHFFFAOYSA-N 0 3 321.446 2.101 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C[C@H](C)CO)CC1 ZINC000074130017 355008506 /nfs/dbraw/zinc/00/85/06/355008506.db2.gz UPKXSCYZFQIIES-GJZGRUSLSA-N 0 3 311.470 2.123 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)n(C)n1)C(C)C ZINC000076483481 355152072 /nfs/dbraw/zinc/15/20/72/355152072.db2.gz KQRYQRZILLZFAS-INIZCTEOSA-N 0 3 304.438 2.157 20 30 DEEDHN C#CCOc1ccc(CN2CCCN(c3ncccn3)CC2)cc1 ZINC000093056601 355666506 /nfs/dbraw/zinc/66/65/06/355666506.db2.gz ALNMTFUFODGEDA-UHFFFAOYSA-N 0 3 322.412 2.201 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000127221171 355820940 /nfs/dbraw/zinc/82/09/40/355820940.db2.gz QNZPDZONYYMCGO-BXUZGUMPSA-N 0 3 316.380 2.122 20 30 DEEDHN CCN(C(=O)NC[C@@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184652677 356195472 /nfs/dbraw/zinc/19/54/72/356195472.db2.gz FNTXLZNGTPTQCP-DOTOQJQBSA-N 0 3 314.433 2.452 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)NC[C@@H](C)C#N)c2)CC1 ZINC000184916027 356199981 /nfs/dbraw/zinc/19/99/81/356199981.db2.gz WDEWWPKJEOMFTB-AWEZNQCLSA-N 0 3 315.421 2.110 20 30 DEEDHN CCOC[C@@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000081518965 192279160 /nfs/dbraw/zinc/27/91/60/192279160.db2.gz SOVCEXSRPGMIGM-OAHLLOKOSA-N 0 3 304.390 2.304 20 30 DEEDHN CN1CCC2(CCN(Cc3cccc(C#N)c3F)CC2)C1=O ZINC000618546626 363523540 /nfs/dbraw/zinc/52/35/40/363523540.db2.gz SDNMDIWNVHCTBY-UHFFFAOYSA-N 0 3 301.365 2.142 20 30 DEEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381349734 356670996 /nfs/dbraw/zinc/67/09/96/356670996.db2.gz HREDLSMKHCRXLP-RYUDHWBXSA-N 0 3 306.410 2.288 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCSC2)cc1 ZINC000384099013 356682147 /nfs/dbraw/zinc/68/21/47/356682147.db2.gz DQSVYNNEYHAJGZ-AWEZNQCLSA-N 0 3 324.471 2.065 20 30 DEEDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000386918577 356699968 /nfs/dbraw/zinc/69/99/68/356699968.db2.gz OXUMTZAMBOPGAX-UHFFFAOYSA-N 0 3 315.464 2.018 20 30 DEEDHN CCN(CC)[C@H](CNc1ncncc1C#N)c1ccsc1 ZINC000578621610 356846346 /nfs/dbraw/zinc/84/63/46/356846346.db2.gz CAYZRNZSGOWLID-CQSZACIVSA-N 0 3 301.419 2.327 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000579676614 357011333 /nfs/dbraw/zinc/01/13/33/357011333.db2.gz ITQGFWMVBZLOKP-LNSITVRQSA-N 0 3 302.374 2.402 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1cccc(C#N)n1 ZINC000580951157 357107041 /nfs/dbraw/zinc/10/70/41/357107041.db2.gz YFXICHHZCOQHAO-CHWSQXEVSA-N 0 3 301.394 2.195 20 30 DEEDHN N#C[C@@]1(F)CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000585753851 357352290 /nfs/dbraw/zinc/35/22/90/357352290.db2.gz DHNRUWAUMMTIEM-ROUUACIJSA-N 0 3 317.408 2.215 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)CCCCCC#N ZINC000588652678 357413962 /nfs/dbraw/zinc/41/39/62/357413962.db2.gz KUEURVUVVVGCIH-UHFFFAOYSA-N 0 3 302.422 2.446 20 30 DEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc(C#N)n2)C1 ZINC000589333009 357464611 /nfs/dbraw/zinc/46/46/11/357464611.db2.gz IMMUBNFTIWFYLT-CYBMUJFWSA-N 0 3 300.406 2.194 20 30 DEEDHN N#Cc1cccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000589460076 357471875 /nfs/dbraw/zinc/47/18/75/357471875.db2.gz WIKQFFSROUPQKW-INIZCTEOSA-N 0 3 320.396 2.205 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(C#N)n1 ZINC000589456102 357471925 /nfs/dbraw/zinc/47/19/25/357471925.db2.gz ZHOVUBGBYSSJGK-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN CN(C)CCN(C(=O)c1cccc(C#N)n1)C1CCCCC1 ZINC000589760293 357494206 /nfs/dbraw/zinc/49/42/06/357494206.db2.gz BRDCCWYKZUUDSG-UHFFFAOYSA-N 0 3 300.406 2.290 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000590048291 357515208 /nfs/dbraw/zinc/51/52/08/357515208.db2.gz ROPHJMJFJKYSJY-LBPRGKRZSA-N 0 3 301.390 2.406 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cccc(C#N)n1 ZINC000590920356 357643602 /nfs/dbraw/zinc/64/36/02/357643602.db2.gz GHUSZSWUPOCKEE-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN COCC(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000591010988 357659417 /nfs/dbraw/zinc/65/94/17/357659417.db2.gz XNENRNVMEANUBO-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN C[C@@]1(C#N)CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000591311366 357704927 /nfs/dbraw/zinc/70/49/27/357704927.db2.gz MSCMDTRHHSBJEA-KRWDZBQOSA-N 0 3 314.389 2.326 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000591592062 357740563 /nfs/dbraw/zinc/74/05/63/357740563.db2.gz LMRNFDNNIJJINE-CYBMUJFWSA-N 0 3 313.323 2.385 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591867723 357772978 /nfs/dbraw/zinc/77/29/78/357772978.db2.gz RWPJDGGGALJRIF-HOTGVXAUSA-N 0 3 302.422 2.109 20 30 DEEDHN CC(C)C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)C#N ZINC001422005546 1172225632 /nfs/dbraw/zinc/22/56/32/1172225632.db2.gz KUDZSVYXXDIZNX-CHWSQXEVSA-N 0 3 318.446 2.400 20 30 DEEDHN CSc1ccccc1NC(=O)CCN1CC[C@@](O)(CC#N)C1 ZINC000592149530 357840706 /nfs/dbraw/zinc/84/07/06/357840706.db2.gz QNCKDUIXQWXLGS-INIZCTEOSA-N 0 3 319.430 2.088 20 30 DEEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000592503896 357889458 /nfs/dbraw/zinc/88/94/58/357889458.db2.gz IZEMURPAKBTMRG-LSDHHAIUSA-N 0 3 313.405 2.284 20 30 DEEDHN C=C(C)COc1cc(CN(C)CCC(=O)NC)ccc1OC ZINC000179413499 199030844 /nfs/dbraw/zinc/03/08/44/199030844.db2.gz SKEXUVGFHHVBNZ-UHFFFAOYSA-N 0 3 306.406 2.218 20 30 DEEDHN CCCN(C(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CCN(C)C1 ZINC000592828827 357952317 /nfs/dbraw/zinc/95/23/17/357952317.db2.gz KDRBNKWYYVAOLN-INIZCTEOSA-N 0 3 314.433 2.181 20 30 DEEDHN C[C@@H](COCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593332058 358056517 /nfs/dbraw/zinc/05/65/17/358056517.db2.gz KQAFQICDWGGAJT-SUMWQHHRSA-N 0 3 311.385 2.172 20 30 DEEDHN CC[C@H](C#N)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000593456510 358082656 /nfs/dbraw/zinc/08/26/56/358082656.db2.gz CMYPNDDURPBDLK-IAGOWNOFSA-N 0 3 314.433 2.444 20 30 DEEDHN CCC(C#N)C(=O)N(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000593462712 358084799 /nfs/dbraw/zinc/08/47/99/358084799.db2.gz ZRWSUNZYGVZFGF-GFCCVEGCSA-N 0 3 324.327 2.406 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000594317699 358242539 /nfs/dbraw/zinc/24/25/39/358242539.db2.gz DDGSDACMDSFPKC-QWQRMKEZSA-N 0 3 311.429 2.336 20 30 DEEDHN CCC(C)(C)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000594389773 358254934 /nfs/dbraw/zinc/25/49/34/358254934.db2.gz NEOXVNBIJUUSLM-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000594428826 358267033 /nfs/dbraw/zinc/26/70/33/358267033.db2.gz PPZZKUXGXKBMLU-AWEZNQCLSA-N 0 3 315.352 2.361 20 30 DEEDHN CN(c1ccccc1)[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595258591 358407860 /nfs/dbraw/zinc/40/78/60/358407860.db2.gz DDLPZCNOTMBITN-IAGOWNOFSA-N 0 3 314.433 2.135 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788294 358549352 /nfs/dbraw/zinc/54/93/52/358549352.db2.gz IKJUEGUNWYKBPL-PMPSAXMXSA-N 0 3 307.438 2.028 20 30 DEEDHN N#Cc1cc(CN(CCN2CCOCC2)CC2CC2)ccc1F ZINC000595807081 358552417 /nfs/dbraw/zinc/55/24/17/358552417.db2.gz IERLKKRQGCSNFG-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN Cc1cc(C#N)ccc1CN(CCN1CCOCC1)CC1CC1 ZINC000595805704 358552642 /nfs/dbraw/zinc/55/26/42/358552642.db2.gz BCCGHCYEUZOBSH-UHFFFAOYSA-N 0 3 313.445 2.411 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(F)c(C#N)c2)CCOCC1 ZINC000595873806 358569140 /nfs/dbraw/zinc/56/91/40/358569140.db2.gz GGSYWXOVAOVDNK-UHFFFAOYSA-N 0 3 320.364 2.289 20 30 DEEDHN C[C@@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1=CCN(C)CC1 ZINC000618826629 363612460 /nfs/dbraw/zinc/61/24/60/363612460.db2.gz IELQZBKXKVUYSR-FZKQIMNGSA-N 0 3 324.428 2.495 20 30 DEEDHN C=CCCSCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000596717283 358745934 /nfs/dbraw/zinc/74/59/34/358745934.db2.gz LGGYFUVNDCVDPV-CABCVRRESA-N 0 3 311.495 2.421 20 30 DEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000597920969 359040747 /nfs/dbraw/zinc/04/07/47/359040747.db2.gz DHBOVZJMEKTRHU-LLVKDONJSA-N 0 3 307.344 2.439 20 30 DEEDHN CC(C#N)C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000597747392 358996567 /nfs/dbraw/zinc/99/65/67/358996567.db2.gz DFHFALLNYOJTRX-ISVAXAHUSA-N 0 3 301.173 2.477 20 30 DEEDHN C=CCCNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000667261858 540426726 /nfs/dbraw/zinc/42/67/26/540426726.db2.gz LWNRANRRFVHPBM-UHFFFAOYSA-N 0 3 307.394 2.333 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ncc(C#N)cc1Cl ZINC000598261864 359139883 /nfs/dbraw/zinc/13/98/83/359139883.db2.gz HFYOAHZLJBFWLD-GFCCVEGCSA-N 0 3 320.824 2.457 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000598343479 359170606 /nfs/dbraw/zinc/17/06/06/359170606.db2.gz WDGGYYUQYYYMCU-CQSZACIVSA-N 0 3 303.431 2.251 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000598591807 359254025 /nfs/dbraw/zinc/25/40/25/359254025.db2.gz CBRILCYOEXTBNV-WBVHZDCISA-N 0 3 324.465 2.337 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000598719401 359304135 /nfs/dbraw/zinc/30/41/35/359304135.db2.gz HTKJZUWGFSLYNQ-ZDUSSCGKSA-N 0 3 309.797 2.169 20 30 DEEDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC(C)(C)C#N ZINC000598615523 359262134 /nfs/dbraw/zinc/26/21/34/359262134.db2.gz CEQBCMFLFATSMV-CQSZACIVSA-N 0 3 305.378 2.370 20 30 DEEDHN COc1cc(CNC[C@@H]2CCCN2CC(F)F)ccc1C#N ZINC000598986480 359375933 /nfs/dbraw/zinc/37/59/33/359375933.db2.gz AZDXZXUDAUVGSK-AWEZNQCLSA-N 0 3 309.360 2.386 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000667361941 540442255 /nfs/dbraw/zinc/44/22/55/540442255.db2.gz SXUZDFDDVQJXRJ-SJLPKXTDSA-N 0 3 302.418 2.094 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCSC[C@@H]1C1CC1 ZINC000599432798 359496557 /nfs/dbraw/zinc/49/65/57/359496557.db2.gz DDVSZBMGKJGTAO-JKSUJKDBSA-N 0 3 318.442 2.125 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000667592022 540481636 /nfs/dbraw/zinc/48/16/36/540481636.db2.gz HLNXAYVMHYHHDK-AEFFLSMTSA-N 0 3 302.418 2.185 20 30 DEEDHN C=C[C@](C)(O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000667597216 540483710 /nfs/dbraw/zinc/48/37/10/540483710.db2.gz GLLASACFRARMOR-INIZCTEOSA-N 0 3 308.447 2.013 20 30 DEEDHN CCC(C#N)(CC)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000599385668 359484810 /nfs/dbraw/zinc/48/48/10/359484810.db2.gz FMSHEHDUFKONSH-UHFFFAOYSA-N 0 3 309.454 2.322 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000667612666 540487489 /nfs/dbraw/zinc/48/74/89/540487489.db2.gz DEEAOQGDNDYKPW-BBRMVZONSA-N 0 3 308.447 2.013 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](NCc1ccc(CC#N)cc1)C(N)=O ZINC000428838633 237260800 /nfs/dbraw/zinc/26/08/00/237260800.db2.gz HXQBUPUUKYBYNM-KDOFPFPSSA-N 0 3 307.397 2.500 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC000668369786 540655869 /nfs/dbraw/zinc/65/58/69/540655869.db2.gz FDCUVJOHLVNATE-OAHLLOKOSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000668544098 540683887 /nfs/dbraw/zinc/68/38/87/540683887.db2.gz ZYZAJQWZJXDFQC-NVXWUHKLSA-N 0 3 300.402 2.352 20 30 DEEDHN CCC(C#N)(CC)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000602302710 360335116 /nfs/dbraw/zinc/33/51/16/360335116.db2.gz ZAWXPSVGPKGDAZ-UHFFFAOYSA-N 0 3 304.394 2.290 20 30 DEEDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000281213555 216158249 /nfs/dbraw/zinc/15/82/49/216158249.db2.gz JVVCARMYKKIVGD-SFHVURJKSA-N 0 3 316.401 2.350 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000602495495 360405341 /nfs/dbraw/zinc/40/53/41/360405341.db2.gz WEHIOTALFSUCEP-ZDUSSCGKSA-N 0 3 308.389 2.328 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000602495495 360405345 /nfs/dbraw/zinc/40/53/45/360405345.db2.gz WEHIOTALFSUCEP-ZDUSSCGKSA-N 0 3 308.389 2.328 20 30 DEEDHN N#CC1(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC2(CC2)C1 ZINC000602522804 360415825 /nfs/dbraw/zinc/41/58/25/360415825.db2.gz XJJJOIQTIYIZPI-HNNXBMFYSA-N 0 3 311.385 2.370 20 30 DEEDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cccc(C#N)n1 ZINC000602653205 360477443 /nfs/dbraw/zinc/47/74/43/360477443.db2.gz NIWHSKMHZUSFJE-KBXCAEBGSA-N 0 3 323.396 2.463 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603083918 360693889 /nfs/dbraw/zinc/69/38/89/360693889.db2.gz OVPBOEGOGOBYJQ-UHFFFAOYSA-N 0 3 310.357 2.207 20 30 DEEDHN COCc1cc(C#N)ccc1N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000603326315 360793577 /nfs/dbraw/zinc/79/35/77/360793577.db2.gz AKPBZYIRBSJKCY-CVEARBPZSA-N 0 3 305.447 2.186 20 30 DEEDHN CN1CC=C(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000272022842 209393487 /nfs/dbraw/zinc/39/34/87/209393487.db2.gz XPZBTVNQCKTAAP-UHFFFAOYSA-N 0 3 315.421 2.498 20 30 DEEDHN N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000603293797 360781265 /nfs/dbraw/zinc/78/12/65/360781265.db2.gz GEEVRWRPLFBJNR-LBPRGKRZSA-N 0 3 315.377 2.113 20 30 DEEDHN CN(CCCN(C)c1ncc(C#N)cc1F)Cc1ccncc1 ZINC000603403701 360818730 /nfs/dbraw/zinc/81/87/30/360818730.db2.gz XUXNHJNSDLWIGE-UHFFFAOYSA-N 0 3 313.380 2.446 20 30 DEEDHN COCCN(CC(=O)NCc1cccc(C#N)c1)C1CCCC1 ZINC000603629143 360850872 /nfs/dbraw/zinc/85/08/72/360850872.db2.gz YXZMSBHUJLVRSP-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN COc1ccc(C2(NC(=O)C(C)C#N)CCOCC2)cc1F ZINC000444757974 238296735 /nfs/dbraw/zinc/29/67/35/238296735.db2.gz WLDHAILLBHXCGX-NSHDSACASA-N 0 3 306.337 2.116 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1ccccc1Br ZINC000609591065 361324832 /nfs/dbraw/zinc/32/48/32/361324832.db2.gz PCDIMHHBWKXNJH-CYBMUJFWSA-N 0 3 324.222 2.470 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000609620691 361328417 /nfs/dbraw/zinc/32/84/17/361328417.db2.gz WAFMYFLHJSNVPB-GFCCVEGCSA-N 0 3 311.385 2.229 20 30 DEEDHN C[C@H](C[C@H]1CCOC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619298211 363759415 /nfs/dbraw/zinc/75/94/15/363759415.db2.gz QEWVWJJBEWBKNU-KBRIMQKVSA-N 0 3 311.385 2.172 20 30 DEEDHN N#CCc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000611143512 361533588 /nfs/dbraw/zinc/53/35/88/361533588.db2.gz AZZZDPLCWIHIFH-UHFFFAOYSA-N 0 3 306.369 2.110 20 30 DEEDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000611392229 361589159 /nfs/dbraw/zinc/58/91/59/361589159.db2.gz NOTLFMLXMHXWOM-RDJZCZTQSA-N 0 3 307.401 2.440 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000611523480 361622436 /nfs/dbraw/zinc/62/24/36/361622436.db2.gz MKHDOWGTXYGOBV-YSVLISHTSA-N 0 3 312.417 2.355 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673322413 541101272 /nfs/dbraw/zinc/10/12/72/541101272.db2.gz LAHYCGPTUMDLEG-NVXWUHKLSA-N 0 3 302.418 2.358 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ncc4ccccn43)CCC[C@H]12 ZINC000991820799 781949670 /nfs/dbraw/zinc/94/96/70/781949670.db2.gz TYYLMSZDJLMOEQ-MAUKXSAKSA-N 0 3 310.401 2.247 20 30 DEEDHN CS(=O)(=O)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCC1 ZINC000619466014 363805264 /nfs/dbraw/zinc/80/52/64/363805264.db2.gz FLOKIPHSPHEKKV-MRXNPFEDSA-N 0 3 318.442 2.493 20 30 DEEDHN CCOC(=O)CCN(Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000619674383 363851936 /nfs/dbraw/zinc/85/19/36/363851936.db2.gz YKKDRRHYDHKFBU-UHFFFAOYSA-N 0 3 302.374 2.484 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275441391 212334248 /nfs/dbraw/zinc/33/42/48/212334248.db2.gz QKAGBQKDOJJZDD-UHFFFAOYSA-N 0 3 317.433 2.154 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3cccc(C)c3O2)CC1 ZINC000449846407 241158015 /nfs/dbraw/zinc/15/80/15/241158015.db2.gz YDJIHFKPDAIQQX-KRWDZBQOSA-N 0 3 314.429 2.455 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000293037098 223363505 /nfs/dbraw/zinc/36/35/05/223363505.db2.gz GRYSOLKBDOEHRO-QGZVFWFLSA-N 0 3 310.401 2.306 20 30 DEEDHN C=CC[C@@H](C(=O)N(CCOC)CCN(C)C)c1ccccc1 ZINC000275270520 212237989 /nfs/dbraw/zinc/23/79/89/212237989.db2.gz BWURAFROKYWJBV-QGZVFWFLSA-N 0 3 304.434 2.383 20 30 DEEDHN C=CCCOCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000677838154 541634487 /nfs/dbraw/zinc/63/44/87/541634487.db2.gz QKEUTFWNAXOERG-UHFFFAOYSA-N 0 3 318.417 2.175 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000451599456 243178871 /nfs/dbraw/zinc/17/88/71/243178871.db2.gz OCILPIIRFWDMPH-RKLWJJNISA-N 0 3 306.381 2.325 20 30 DEEDHN C=CCOc1ccc(CN2CCN(C(C)(C)CO)CC2)cc1 ZINC000678268805 541703093 /nfs/dbraw/zinc/70/30/93/541703093.db2.gz CGLFMNXFOTWVLA-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000452380825 244226930 /nfs/dbraw/zinc/22/69/30/244226930.db2.gz UHVZZLHIAHHZHJ-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1OC ZINC000262734575 203395464 /nfs/dbraw/zinc/39/54/64/203395464.db2.gz IKXQAJSFQIVRDV-OLZOCXBDSA-N 0 3 304.390 2.082 20 30 DEEDHN C#CCSCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000266140105 205131465 /nfs/dbraw/zinc/13/14/65/205131465.db2.gz GXGBZPAQBMKIAI-UHFFFAOYSA-N 0 3 315.341 2.473 20 30 DEEDHN C=CCOCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000679629376 541884861 /nfs/dbraw/zinc/88/48/61/541884861.db2.gz DOVQVNRISSBRQL-UHFFFAOYSA-N 0 3 311.470 2.343 20 30 DEEDHN C=CCOCCCC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000266310617 205255385 /nfs/dbraw/zinc/25/53/85/205255385.db2.gz PJXMNOIUQGOCTG-UHFFFAOYSA-N 0 3 316.445 2.185 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000135178564 335024637 /nfs/dbraw/zinc/02/46/37/335024637.db2.gz AEEAWCVDMXBUKT-MJGOQNOKSA-N 0 3 316.445 2.124 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cnc(C)o1)C(C)C ZINC000457757584 247998638 /nfs/dbraw/zinc/99/86/38/247998638.db2.gz UFHZWYJLZMTPDW-INIZCTEOSA-N 0 3 320.437 2.481 20 30 DEEDHN CC(C#N)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491518445 248938018 /nfs/dbraw/zinc/93/80/18/248938018.db2.gz LIFFJFXIYMFFHF-STQMWFEESA-N 0 3 309.410 2.299 20 30 DEEDHN Cc1nnc(C)n1N=CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492990881 249189724 /nfs/dbraw/zinc/18/97/24/249189724.db2.gz KNIUOUZIKASKPB-UHFFFAOYSA-N 0 3 307.398 2.376 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000042237858 183245499 /nfs/dbraw/zinc/24/54/99/183245499.db2.gz QDQQSFNJDQARDB-MNOVXSKESA-N 0 3 309.207 2.238 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCc2c(C)n[nH]c2C)CC1 ZINC000106040864 194181202 /nfs/dbraw/zinc/18/12/02/194181202.db2.gz BHUFFQPDROKZPO-UHFFFAOYSA-N 0 3 304.438 2.116 20 30 DEEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000107574774 269685445 /nfs/dbraw/zinc/68/54/45/269685445.db2.gz GWGSVCANHGZFCE-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000269108294 207248407 /nfs/dbraw/zinc/24/84/07/207248407.db2.gz QSGDIPXVTAIQOL-OAHLLOKOSA-N 0 3 320.433 2.264 20 30 DEEDHN CCN1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269637240 207706988 /nfs/dbraw/zinc/70/69/88/207706988.db2.gz GKNLWWPPNHVVFT-UHFFFAOYSA-N 0 3 312.417 2.331 20 30 DEEDHN C=CCN(CCCNS(=O)(=O)CC)CCc1ccccc1 ZINC000270039037 208093187 /nfs/dbraw/zinc/09/31/87/208093187.db2.gz ZWDBRLNSJHBDNN-UHFFFAOYSA-N 0 3 310.463 2.047 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccn(CC)c2)CC1 ZINC000682864607 542368173 /nfs/dbraw/zinc/36/81/73/542368173.db2.gz YMZAZSSJVXUIDG-UHFFFAOYSA-N 0 3 304.438 2.300 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc(C#N)c1 ZINC000120232595 195124397 /nfs/dbraw/zinc/12/43/97/195124397.db2.gz WBYBORLAGLFQAV-BBRMVZONSA-N 0 3 300.406 2.040 20 30 DEEDHN CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccncc1 ZINC000558388362 291887357 /nfs/dbraw/zinc/88/73/57/291887357.db2.gz BJWDFJQXLBFYRK-SJLPKXTDSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCOc1ccccc1CNC[C@@H]1COC2(CCCC2)O1 ZINC000271447235 208920281 /nfs/dbraw/zinc/92/02/81/208920281.db2.gz RFNYOGIBFWOWBC-MRXNPFEDSA-N 0 3 301.386 2.474 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(OC2CCCCC2)nc1 ZINC000491621392 533163047 /nfs/dbraw/zinc/16/30/47/533163047.db2.gz FUAKGELIFRVNRB-UHFFFAOYSA-N 0 3 315.417 2.022 20 30 DEEDHN C=CCc1cc(CNC[C@@](C)(O)CSC)cc(OC)c1O ZINC000120637679 195206529 /nfs/dbraw/zinc/20/65/29/195206529.db2.gz LEYFNNAJMKNGPA-MRXNPFEDSA-N 0 3 311.447 2.333 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H](CO)C2CCCC2)c(C#N)c1C ZINC000289526929 221041968 /nfs/dbraw/zinc/04/19/68/221041968.db2.gz MQTSFVBTQHRZIP-AWEZNQCLSA-N 0 3 321.446 2.316 20 30 DEEDHN C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1=CCN(C)CC1 ZINC000289659782 221135441 /nfs/dbraw/zinc/13/54/41/221135441.db2.gz GREOLPUMGMXHCZ-NSHDSACASA-N 0 3 302.353 2.469 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1N(C)C ZINC000289886070 221292207 /nfs/dbraw/zinc/29/22/07/221292207.db2.gz SGOFOCXPMNRILR-KBPBESRZSA-N 0 3 322.409 2.207 20 30 DEEDHN CN(C(=O)CSCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000113092590 224581443 /nfs/dbraw/zinc/58/14/43/224581443.db2.gz GNFQLDSJNIRVQH-UHFFFAOYSA-N 0 3 317.458 2.366 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccccc1OCC#N ZINC000120964661 195273004 /nfs/dbraw/zinc/27/30/04/195273004.db2.gz ZZOIAHCACLJDOC-HIFRSBDPSA-N 0 3 301.390 2.001 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121043214 195286097 /nfs/dbraw/zinc/28/60/97/195286097.db2.gz GFJXHTPRAVFASG-CABCVRRESA-N 0 3 307.438 2.076 20 30 DEEDHN C=CCN(C)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000121628706 195319352 /nfs/dbraw/zinc/31/93/52/195319352.db2.gz AJGWJWYURXKJCT-UHFFFAOYSA-N 0 3 321.446 2.172 20 30 DEEDHN C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCC1(C#N)CCC1 ZINC000418137554 533579839 /nfs/dbraw/zinc/57/98/39/533579839.db2.gz DZNOSLHKFHKDAW-ZDUSSCGKSA-N 0 3 311.385 2.345 20 30 DEEDHN COC(=O)COC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418149473 533550893 /nfs/dbraw/zinc/55/08/93/533550893.db2.gz VCHMOBOAGVEHQR-BLLLJJGKSA-N 0 3 302.374 2.103 20 30 DEEDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000362713992 133247228 /nfs/dbraw/zinc/24/72/28/133247228.db2.gz GEDZQJQPBFHBQS-CSMYWGQOSA-N 0 3 322.380 2.168 20 30 DEEDHN CC[C@@]1(C(C)C)C[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000563001239 292023459 /nfs/dbraw/zinc/02/34/59/292023459.db2.gz XUFNFBBXTCDVDS-HOCLYGCPSA-N 0 3 321.446 2.141 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000373532161 133394002 /nfs/dbraw/zinc/39/40/02/133394002.db2.gz WPJRKCBOMNATSD-MSOLQXFVSA-N 0 3 300.402 2.483 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000329878550 404479798 /nfs/dbraw/zinc/47/97/98/404479798.db2.gz KYMLHQCHOJMYJK-SLBVQIDZSA-N 0 3 320.437 2.183 20 30 DEEDHN Cn1nnc2ccc(C(=O)NCCN3CCCC(C)(C)C3)cc21 ZINC000329890337 404484766 /nfs/dbraw/zinc/48/47/66/404484766.db2.gz GDBSIZUZPIWJIO-UHFFFAOYSA-N 0 3 315.421 2.395 20 30 DEEDHN Cn1cc(CNCc2cccc(Cn3ccnc3)c2)cc1C#N ZINC000190749769 145047637 /nfs/dbraw/zinc/04/76/37/145047637.db2.gz CWSFFWNRRXDXTJ-UHFFFAOYSA-N 0 3 305.385 2.431 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000192215632 145072433 /nfs/dbraw/zinc/07/24/33/145072433.db2.gz QHELHGGGKXEEEH-RDJZCZTQSA-N 0 3 306.381 2.353 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC000237135581 145091933 /nfs/dbraw/zinc/09/19/33/145091933.db2.gz VFPAAHOTBNCONB-UHFFFAOYSA-N 0 3 309.369 2.086 20 30 DEEDHN C[C@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000249022927 145176329 /nfs/dbraw/zinc/17/63/29/145176329.db2.gz LATPZXFAMDTEQK-DZGCQCFKSA-N 0 3 306.431 2.125 20 30 DEEDHN N#Cc1cccc(CNCCn2cc(Br)cn2)c1 ZINC000310866506 145352850 /nfs/dbraw/zinc/35/28/50/145352850.db2.gz DUXPKALEBGWWPP-UHFFFAOYSA-N 0 3 305.179 2.307 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cscc2C#N)C[C@@H](C)C1 ZINC000346179026 146032010 /nfs/dbraw/zinc/03/20/10/146032010.db2.gz GGEWTNKYFSBKLB-SLEUVZQESA-N 0 3 303.431 2.422 20 30 DEEDHN Cc1nc(SCC(=O)N[C@@H](C)CN(C)C)c(C#N)c(C)c1C ZINC000346259687 146049355 /nfs/dbraw/zinc/04/93/55/146049355.db2.gz KNPRBIIKLOFPJM-JTQLQIEISA-N 0 3 320.462 2.037 20 30 DEEDHN COCC1(C)CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000358765276 147199967 /nfs/dbraw/zinc/19/99/67/147199967.db2.gz FJZZHIVZEVXYID-INIZCTEOSA-N 0 3 318.417 2.046 20 30 DEEDHN N#Cc1ccccc1OCCN[C@@H](CO)c1cccc(F)c1 ZINC000359529174 147344786 /nfs/dbraw/zinc/34/47/86/147344786.db2.gz JMUWOGLTMPOEHL-INIZCTEOSA-N 0 3 300.333 2.399 20 30 DEEDHN N#Cc1cnc(CN2CCC[C@]3(C2)OCc2ccccc23)nc1 ZINC000565647828 292175140 /nfs/dbraw/zinc/17/51/40/292175140.db2.gz ZXZBDBMOMNSYPY-GOSISDBHSA-N 0 3 306.369 2.370 20 30 DEEDHN C#CCCN1CCN(CCCOCCc2ccccc2)CC1 ZINC000127256166 401726358 /nfs/dbraw/zinc/72/63/58/401726358.db2.gz YAMVOLLLOSREFZ-UHFFFAOYSA-N 0 3 300.446 2.277 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CN1C1CC1 ZINC000127681149 401745942 /nfs/dbraw/zinc/74/59/42/401745942.db2.gz YJNMHLSNCYCXSD-CJNGLKHVSA-N 0 3 312.417 2.325 20 30 DEEDHN C=CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000111260072 401705051 /nfs/dbraw/zinc/70/50/51/401705051.db2.gz GOWVFNKRDWGTML-OAHLLOKOSA-N 0 3 306.362 2.233 20 30 DEEDHN C[C@@H](CNC[C@@H](O)COc1ccc(C#N)cc1)C(F)(F)F ZINC000566130695 292208591 /nfs/dbraw/zinc/20/85/91/292208591.db2.gz FCQYLRBDFRDBBG-CMPLNLGQSA-N 0 3 302.296 2.086 20 30 DEEDHN CCN(CCOc1ccc(C#N)cc1OC)C[C@H]1CCCO1 ZINC000077316067 401810216 /nfs/dbraw/zinc/81/02/16/401810216.db2.gz BVWLIINHBBYXBA-OAHLLOKOSA-N 0 3 304.390 2.447 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCn1ccnc1C ZINC000130471431 401833027 /nfs/dbraw/zinc/83/30/27/401833027.db2.gz YGTQLWWVXRQIMV-HNNXBMFYSA-N 0 3 306.454 2.327 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc2ccccc21 ZINC000078256612 401844857 /nfs/dbraw/zinc/84/48/57/401844857.db2.gz XNVVGQBTJQGJCL-ZDUSSCGKSA-N 0 3 317.410 2.445 20 30 DEEDHN C#CCNC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000029325119 401855838 /nfs/dbraw/zinc/85/58/38/401855838.db2.gz SIAQQJRNPSLVED-INIZCTEOSA-N 0 3 303.406 2.011 20 30 DEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1cccc(C#N)c1 ZINC000033713452 401891753 /nfs/dbraw/zinc/89/17/53/401891753.db2.gz OACUNYUEZNYHDJ-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCc2cccc(C#N)c2)C1 ZINC000046040403 401965177 /nfs/dbraw/zinc/96/51/77/401965177.db2.gz KFHMCEMFPFETBP-AWEZNQCLSA-N 0 3 300.406 2.089 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1(c2cccc(F)c2)CC1 ZINC000297186252 404490053 /nfs/dbraw/zinc/49/00/53/404490053.db2.gz BTLRDGDCBOROGF-UHFFFAOYSA-N 0 3 303.381 2.069 20 30 DEEDHN C#CCSCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000121473387 402038703 /nfs/dbraw/zinc/03/87/03/402038703.db2.gz HQPDZWFDFMXQJV-UHFFFAOYSA-N 0 3 319.474 2.126 20 30 DEEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000150897101 402003554 /nfs/dbraw/zinc/00/35/54/402003554.db2.gz KZYHNOJEZCLBFI-LLVKDONJSA-N 0 3 323.359 2.441 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)CC)cc2)CC1 ZINC000057173135 402092573 /nfs/dbraw/zinc/09/25/73/402092573.db2.gz ZBGUEIIZMOFJAD-UHFFFAOYSA-N 0 3 313.401 2.319 20 30 DEEDHN CS[C@@H](CO)[C@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000152468596 402096913 /nfs/dbraw/zinc/09/69/13/402096913.db2.gz DXIFYLKCQPSAGQ-BBRMVZONSA-N 0 3 307.463 2.238 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000151925089 402065697 /nfs/dbraw/zinc/06/56/97/402065697.db2.gz TYMHLOKHFIKTSR-AWEZNQCLSA-N 0 3 303.406 2.124 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000123582762 402135875 /nfs/dbraw/zinc/13/58/75/402135875.db2.gz LRIBAIIISPNHHK-UHFFFAOYSA-N 0 3 322.206 2.128 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000066898571 402145936 /nfs/dbraw/zinc/14/59/36/402145936.db2.gz AIOZKVBHZIHOPK-INIZCTEOSA-N 0 3 315.417 2.268 20 30 DEEDHN CCOC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)C(C)C ZINC000348435589 286169662 /nfs/dbraw/zinc/16/96/62/286169662.db2.gz CDVJNJCWLYPQOQ-CABCVRRESA-N 0 3 309.454 2.368 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000067204677 402154807 /nfs/dbraw/zinc/15/48/07/402154807.db2.gz LQKQJPCIFSSIQP-ZBFHGGJFSA-N 0 3 302.418 2.487 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNC2CC2)cc1 ZINC000154279057 402203140 /nfs/dbraw/zinc/20/31/40/402203140.db2.gz OFGFCNCQHLPJTH-UHFFFAOYSA-N 0 3 313.401 2.191 20 30 DEEDHN C=C(C)CN(CC)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000153642907 402160225 /nfs/dbraw/zinc/16/02/25/402160225.db2.gz UFTYVMHBMLLYRL-UHFFFAOYSA-N 0 3 320.437 2.130 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000124900284 402202515 /nfs/dbraw/zinc/20/25/15/402202515.db2.gz BRODATXHZLXPSM-HNNXBMFYSA-N 0 3 320.458 2.116 20 30 DEEDHN C#CCOCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000154620777 402221950 /nfs/dbraw/zinc/22/19/50/402221950.db2.gz KPNQNSQPGTVMDT-GOSISDBHSA-N 0 3 314.429 2.149 20 30 DEEDHN CN(CCNC(=O)CNc1cccc(C#N)c1)Cc1ccccc1 ZINC000154805943 402233723 /nfs/dbraw/zinc/23/37/23/402233723.db2.gz PDPKLXGEIKIFKS-UHFFFAOYSA-N 0 3 322.412 2.218 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CNc1cccc(C#N)c1 ZINC000154833022 402234739 /nfs/dbraw/zinc/23/47/39/402234739.db2.gz LNASXZZDXCMNMH-LSDHHAIUSA-N 0 3 314.433 2.207 20 30 DEEDHN COc1ccc(CCCN(C)[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000125885536 402254603 /nfs/dbraw/zinc/25/46/03/402254603.db2.gz BFOWPSWGUPKRBM-OAHLLOKOSA-N 0 3 317.433 2.320 20 30 DEEDHN C=C(C)CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000154309827 402205527 /nfs/dbraw/zinc/20/55/27/402205527.db2.gz CCYLVCMMRYCJHB-UHFFFAOYSA-N 0 3 302.418 2.197 20 30 DEEDHN CCCCCCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155922514 402271029 /nfs/dbraw/zinc/27/10/29/402271029.db2.gz USIZVRVFTLIMJH-UHFFFAOYSA-N 0 3 316.511 2.152 20 30 DEEDHN CC(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2Cl)C1 ZINC000156635948 402286030 /nfs/dbraw/zinc/28/60/30/402286030.db2.gz WWKOUEUIIPAHPX-OAHLLOKOSA-N 0 3 304.821 2.492 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000177080251 402367396 /nfs/dbraw/zinc/36/73/96/402367396.db2.gz AFGZOBJBNAGIHD-KFVVJHEBSA-N 0 3 301.390 2.022 20 30 DEEDHN CN(CCC#N)c1ccc(CNCCNC(=O)C(C)(C)C)cc1 ZINC000237195112 402398739 /nfs/dbraw/zinc/39/87/39/402398739.db2.gz RXLXDOZKAHLRJA-UHFFFAOYSA-N 0 3 316.449 2.288 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCC(N2CCCNC2=O)CC1 ZINC000186310308 402419946 /nfs/dbraw/zinc/41/99/46/402419946.db2.gz BIWMEVRGSVTTRN-UHFFFAOYSA-N 0 3 312.417 2.246 20 30 DEEDHN CN(C)CCn1ccc(NC(=O)Nc2ccc(CC#N)cc2)n1 ZINC000186536617 402440158 /nfs/dbraw/zinc/44/01/58/402440158.db2.gz GOZJCQGJZPCLBA-UHFFFAOYSA-N 0 3 312.377 2.155 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2Cc3ccccc3C2)CC1 ZINC000186559658 402441650 /nfs/dbraw/zinc/44/16/50/402441650.db2.gz NZPFVBZSJZLYMU-UHFFFAOYSA-N 0 3 313.445 2.494 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(C#N)c1 ZINC000177324554 402391650 /nfs/dbraw/zinc/39/16/50/402391650.db2.gz PTYAMCDJFMYWIE-SJORKVTESA-N 0 3 312.417 2.055 20 30 DEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1O ZINC000186814186 402465290 /nfs/dbraw/zinc/46/52/90/402465290.db2.gz RRTIJCNWXLSVQM-DYVFJYSZSA-N 0 3 310.401 2.161 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC2(CCOCC2)C1 ZINC000186806983 402465476 /nfs/dbraw/zinc/46/54/76/402465476.db2.gz CPJIOFZQLXVXGA-OAHLLOKOSA-N 0 3 324.490 2.174 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCSC2(CCOCC2)C1 ZINC000186806967 402465515 /nfs/dbraw/zinc/46/55/15/402465515.db2.gz CPJIOFZQLXVXGA-HNNXBMFYSA-N 0 3 324.490 2.174 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000187554181 402504907 /nfs/dbraw/zinc/50/49/07/402504907.db2.gz QPLNASYALOATSX-KRWDZBQOSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000178774819 402538462 /nfs/dbraw/zinc/53/84/62/402538462.db2.gz JCASNGVQNUXEPL-UHFFFAOYSA-N 0 3 320.462 2.470 20 30 DEEDHN COc1ccc([C@H](NCCC(=O)N(C)CCC#N)C2CC2)cc1 ZINC000179681527 402598208 /nfs/dbraw/zinc/59/82/08/402598208.db2.gz HMRUGCUOCSQRIN-GOSISDBHSA-N 0 3 315.417 2.498 20 30 DEEDHN C[C@H](O)CN1CCN(CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000248656967 402602221 /nfs/dbraw/zinc/60/22/21/402602221.db2.gz SBHCEXRMNHTBTJ-CABCVRRESA-N 0 3 306.837 2.078 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000249315288 402625758 /nfs/dbraw/zinc/62/57/58/402625758.db2.gz FIJSFBBPVOSUMG-OAHLLOKOSA-N 0 3 301.434 2.144 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249338687 402626069 /nfs/dbraw/zinc/62/60/69/402626069.db2.gz IOWSFXMTYQHHPY-HUUCEWRRSA-N 0 3 301.434 2.396 20 30 DEEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)C1(CC)CC ZINC000424148416 286240708 /nfs/dbraw/zinc/24/07/08/286240708.db2.gz FJDIMGXQCIBWKQ-RRFJBIMHSA-N 0 3 309.454 2.450 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)CC1 ZINC000181256178 402639275 /nfs/dbraw/zinc/63/92/75/402639275.db2.gz GHOJJNUYKDZWGI-UHFFFAOYSA-N 0 3 303.406 2.291 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc(C#N)cc1F ZINC000172150441 402642059 /nfs/dbraw/zinc/64/20/59/402642059.db2.gz NXUXZJNAHNXQIB-AWEZNQCLSA-N 0 3 318.396 2.181 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(C)cc2)CC1 ZINC000172185573 402644599 /nfs/dbraw/zinc/64/45/99/402644599.db2.gz PEKUSNXWZCPCLI-UHFFFAOYSA-N 0 3 301.434 2.487 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@H]2CC(C)C)CC1 ZINC000172227251 402646209 /nfs/dbraw/zinc/64/62/09/402646209.db2.gz IDELJAFYTMEDPO-MRXNPFEDSA-N 0 3 309.454 2.093 20 30 DEEDHN CN(C[C@@H]1CCOC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182828254 402719654 /nfs/dbraw/zinc/71/96/54/402719654.db2.gz LWAULSDJPUOOLV-DOTOQJQBSA-N 0 3 313.401 2.022 20 30 DEEDHN C#CCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000173319119 402692287 /nfs/dbraw/zinc/69/22/87/402692287.db2.gz HLBFTZKHDPLOTQ-UHFFFAOYSA-N 0 3 303.406 2.299 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000173367962 402694281 /nfs/dbraw/zinc/69/42/81/402694281.db2.gz PUIQOXGKMFUEKJ-ZIAGYGMSSA-N 0 3 318.425 2.039 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000174458245 402742107 /nfs/dbraw/zinc/74/21/07/402742107.db2.gz FLEJMAHQERUGSN-UHFFFAOYSA-N 0 3 303.410 2.065 20 30 DEEDHN C[C@@H](CCNS(=O)(=O)c1cccc(C#N)c1)N1CCCCC1 ZINC000183297619 402754041 /nfs/dbraw/zinc/75/40/41/402754041.db2.gz YGJOCUTYTDXJRQ-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3cnn(CC)c3c2)CC1 ZINC000194525605 402801372 /nfs/dbraw/zinc/80/13/72/402801372.db2.gz ZZRVPPJXAFEKGS-UHFFFAOYSA-N 0 3 310.401 2.340 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000175397909 402803018 /nfs/dbraw/zinc/80/30/18/402803018.db2.gz UUDZLEBKZDDJLI-UHFFFAOYSA-N 0 3 300.406 2.224 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](CO)c1cccc(Br)c1 ZINC000183912551 402804582 /nfs/dbraw/zinc/80/45/82/402804582.db2.gz PLCLXBYLTMCSHV-KBPBESRZSA-N 0 3 314.223 2.399 20 30 DEEDHN CN(C(=O)c1cccc(SCC#N)c1)C1CCN(C)CC1 ZINC000175607410 402820972 /nfs/dbraw/zinc/82/09/72/402820972.db2.gz ZDUFIJAMYFRQHE-UHFFFAOYSA-N 0 3 303.431 2.468 20 30 DEEDHN C=CCN(CC=C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000175717905 402826294 /nfs/dbraw/zinc/82/62/94/402826294.db2.gz CAQZJHAKTVVTOA-QGZVFWFLSA-N 0 3 301.434 2.080 20 30 DEEDHN CN(C)CCOc1ccc(CCNC(=O)CC(C)(C)C#N)cc1 ZINC000278727766 402870241 /nfs/dbraw/zinc/87/02/41/402870241.db2.gz MYSKMOYWWQTNTF-UHFFFAOYSA-N 0 3 317.433 2.226 20 30 DEEDHN N#Cc1ccc(OCC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264463940 402880879 /nfs/dbraw/zinc/88/08/79/402880879.db2.gz FEGMMGNFASCTCW-INIZCTEOSA-N 0 3 313.401 2.024 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000278921165 402886044 /nfs/dbraw/zinc/88/60/44/402886044.db2.gz KMZMWDDBZJDXCN-ROUUACIJSA-N 0 3 309.413 2.347 20 30 DEEDHN CC(C)(C)[C@H](CO)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279046704 402898477 /nfs/dbraw/zinc/89/84/77/402898477.db2.gz GRHWQXNRWLNWPG-CVEARBPZSA-N 0 3 315.417 2.050 20 30 DEEDHN C[C@@H](O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272533270 402949800 /nfs/dbraw/zinc/94/98/00/402949800.db2.gz NKFCVMGSRSDURL-CZUORRHYSA-N 0 3 310.401 2.161 20 30 DEEDHN C#CCOc1ccccc1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000265909270 402961335 /nfs/dbraw/zinc/96/13/35/402961335.db2.gz XDNOZVMWHJXLNP-CVEARBPZSA-N 0 3 321.442 2.144 20 30 DEEDHN Cc1nc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000280032943 402966508 /nfs/dbraw/zinc/96/65/08/402966508.db2.gz LCPHUBXPGHNUBR-OAHLLOKOSA-N 0 3 324.409 2.364 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)NCCCC#N)cc2)CC1 ZINC000273061028 402967090 /nfs/dbraw/zinc/96/70/90/402967090.db2.gz SUOFTTDLHBYUNX-UHFFFAOYSA-N 0 3 314.433 2.251 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(F)(F)C(F)F)cc1 ZINC000280089667 402967198 /nfs/dbraw/zinc/96/71/98/402967198.db2.gz RTOBONJLPLMJES-LLVKDONJSA-N 0 3 313.254 2.257 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)[C@H]2CCCN2C1=O)C(C)C ZINC000272261735 402915914 /nfs/dbraw/zinc/91/59/14/402915914.db2.gz MHBVZLFVLCBKDU-CABCVRRESA-N 0 3 305.422 2.112 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000279209083 402916475 /nfs/dbraw/zinc/91/64/75/402916475.db2.gz BOGNKMHOFOMISC-FGTMMUONSA-N 0 3 323.396 2.411 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2CCO)cc1Cl ZINC000279210451 402916642 /nfs/dbraw/zinc/91/66/42/402916642.db2.gz GWRRDYINVKLEIG-ABAIWWIYSA-N 0 3 321.808 2.291 20 30 DEEDHN Cc1nn(C)cc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280321829 402988209 /nfs/dbraw/zinc/98/82/09/402988209.db2.gz GUJYPDKVYWPJGQ-BLLLJJGKSA-N 0 3 321.384 2.160 20 30 DEEDHN Cc1c([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cnn1C ZINC000280482962 403004232 /nfs/dbraw/zinc/00/42/32/403004232.db2.gz PTHYSMDKQDCUTN-MLGOLLRUSA-N 0 3 321.384 2.160 20 30 DEEDHN Cc1nnc(NC2CCN(CCOC(C)C)CC2)c(C#N)c1C ZINC000267099194 403015435 /nfs/dbraw/zinc/01/54/35/403015435.db2.gz WJWNJSZGERUYDQ-UHFFFAOYSA-N 0 3 317.437 2.266 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@@H](O)c2ccccc2)CC1 ZINC000266537788 402972142 /nfs/dbraw/zinc/97/21/42/402972142.db2.gz QJBPRTQEKNNFMF-QGZVFWFLSA-N 0 3 317.433 2.060 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCSCC2)cc1 ZINC000280281136 402983286 /nfs/dbraw/zinc/98/32/86/402983286.db2.gz DPXHMZYLGOQJEO-MRXNPFEDSA-N 0 3 313.426 2.500 20 30 DEEDHN CC(C)N1CCCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000268002081 403041666 /nfs/dbraw/zinc/04/16/66/403041666.db2.gz WOJUNZIMSVJSPN-UHFFFAOYSA-N 0 3 307.344 2.393 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000268533788 403092449 /nfs/dbraw/zinc/09/24/49/403092449.db2.gz XWWJVNRDWSXORI-RYUDHWBXSA-N 0 3 303.366 2.394 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2Cn2cnc3ccccc32)C1=O ZINC000281142124 403059296 /nfs/dbraw/zinc/05/92/96/403059296.db2.gz ATFDESSYJDAGPL-CRAIPNDOSA-N 0 3 324.428 2.288 20 30 DEEDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc(C#N)cc1Cl ZINC000274520738 403063519 /nfs/dbraw/zinc/06/35/19/403063519.db2.gz WOOPHIACPVDKSZ-LBPRGKRZSA-N 0 3 307.829 2.045 20 30 DEEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)C(=O)N1CCCC1 ZINC000281356032 403066450 /nfs/dbraw/zinc/06/64/50/403066450.db2.gz MXIBVKBSIUDXDQ-HNNXBMFYSA-N 0 3 314.433 2.137 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)C[C@](C)(O)CC)C1=O ZINC000281399152 403067578 /nfs/dbraw/zinc/06/75/78/403067578.db2.gz QHKSWFMNLQUVQA-PKOBYXMFSA-N 0 3 316.445 2.437 20 30 DEEDHN COc1cc(CNCCC(=O)N2CCCCC2)ccc1C#N ZINC000281642101 403077827 /nfs/dbraw/zinc/07/78/27/403077827.db2.gz JAPKOPMKNCBTSG-UHFFFAOYSA-N 0 3 301.390 2.059 20 30 DEEDHN C#C[C@H](C)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000274770031 403085739 /nfs/dbraw/zinc/08/57/39/403085739.db2.gz RLDVYCRIMDMDCL-HNNXBMFYSA-N 0 3 314.433 2.280 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268474673 403086628 /nfs/dbraw/zinc/08/66/28/403086628.db2.gz MYKOSHXMNWPFTD-DZGCQCFKSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268474673 403086629 /nfs/dbraw/zinc/08/66/29/403086629.db2.gz MYKOSHXMNWPFTD-DZGCQCFKSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268474673 403086631 /nfs/dbraw/zinc/08/66/31/403086631.db2.gz MYKOSHXMNWPFTD-DZGCQCFKSA-N 0 3 319.453 2.106 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000274784159 403087312 /nfs/dbraw/zinc/08/73/12/403087312.db2.gz JYCHIGKXPODLAP-RHSMWYFYSA-N 0 3 315.417 2.153 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(OCC#N)cc2)C1(C)C ZINC000275472340 403102703 /nfs/dbraw/zinc/10/27/03/403102703.db2.gz CWIRLPJINQNUAE-FUHWJXTLSA-N 0 3 318.417 2.245 20 30 DEEDHN COc1cc(CNCCNC(=O)c2ccc(C)cc2)ccc1C#N ZINC000281826783 403095950 /nfs/dbraw/zinc/09/59/50/403095950.db2.gz XKCQPTDEFCGKQL-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)CC(C)(C)O)C1=O ZINC000282005520 403112524 /nfs/dbraw/zinc/11/25/24/403112524.db2.gz NXLMLRMXARHFQG-MRXNPFEDSA-N 0 3 302.418 2.046 20 30 DEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCCN(c3ccccc3)C2)C1=O ZINC000282057985 403118116 /nfs/dbraw/zinc/11/81/16/403118116.db2.gz RZSBEABSSFJSRX-MSOLQXFVSA-N 0 3 313.445 2.374 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C)cc(Cl)n2)CC1 ZINC000282105990 403123311 /nfs/dbraw/zinc/12/33/11/403123311.db2.gz JMVKLMZSXMHAGO-UHFFFAOYSA-N 0 3 322.840 2.493 20 30 DEEDHN N#Cc1ccc(CNCCc2nnc3n2CCCCC3)c(F)c1 ZINC000269390847 403135567 /nfs/dbraw/zinc/13/55/67/403135567.db2.gz CRDQRQMQGBKOAP-UHFFFAOYSA-N 0 3 313.380 2.348 20 30 DEEDHN O=C1CC[C@@H](NCC#Cc2ccc(Cl)cc2)C2(CCC2)N1 ZINC000282663923 403157884 /nfs/dbraw/zinc/15/78/84/403157884.db2.gz BUBWXVAWPANVJZ-OAHLLOKOSA-N 0 3 302.805 2.482 20 30 DEEDHN N#Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277364826 403209707 /nfs/dbraw/zinc/20/97/07/403209707.db2.gz HENFPAWTJDHACG-KRWDZBQOSA-N 0 3 312.417 2.374 20 30 DEEDHN CC(C)C(N)=NOC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000283616062 403210185 /nfs/dbraw/zinc/21/01/85/403210185.db2.gz VPRMKTPSERFMRF-INIZCTEOSA-N 0 3 305.422 2.222 20 30 DEEDHN Cc1ncc(CO)c(/C=N/CC(C)(C)C[NH+]2CCCC2)c1[O-] ZINC000276748775 403192848 /nfs/dbraw/zinc/19/28/48/403192848.db2.gz XSQLVNXMTSZNEW-GIJQJNRQSA-N 0 3 305.422 2.129 20 30 DEEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)C1(O)CCCC1 ZINC000566797991 292269033 /nfs/dbraw/zinc/26/90/33/292269033.db2.gz ULAYGHOYUBNITM-UHFFFAOYSA-N 0 3 313.405 2.022 20 30 DEEDHN C[C@H](COCC1CCCCC1)NC(=O)[C@H](N)CCCCC#N ZINC001354866662 1151950041 /nfs/dbraw/zinc/95/00/41/1151950041.db2.gz ZPKHAFAAOOXGFD-GDBMZVCRSA-N 0 3 309.454 2.499 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN([C@H]3Cc4ccccc4[C@@H]3O)C2)nc1 ZINC000292227322 403326698 /nfs/dbraw/zinc/32/66/98/403326698.db2.gz PJGSPIOEUATSJR-AYBZRNKSSA-N 0 3 321.380 2.065 20 30 DEEDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C#N)C2)C1 ZINC000292702218 403375620 /nfs/dbraw/zinc/37/56/20/403375620.db2.gz GBUSBZMHRDSGPZ-INIZCTEOSA-N 0 3 300.362 2.389 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000285775780 403377065 /nfs/dbraw/zinc/37/70/65/403377065.db2.gz UHIFOBKULPYWIB-MEBBXXQBSA-N 0 3 303.793 2.424 20 30 DEEDHN CCC[C@H](NC(=O)C(C)C#N)C(=O)N1CCc2sccc2C1 ZINC000345775720 403478969 /nfs/dbraw/zinc/47/89/69/403478969.db2.gz IXLBXKZQXULLRV-YPMHNXCESA-N 0 3 319.430 2.077 20 30 DEEDHN COc1ccc(Cl)cc1CN1CCN(C(=O)C(C)C#N)CC1 ZINC000345810217 403493291 /nfs/dbraw/zinc/49/32/91/403493291.db2.gz FWSJMOLWGHSHEI-LBPRGKRZSA-N 0 3 321.808 2.152 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2CCO)c(C#N)c1C ZINC000286265838 403486217 /nfs/dbraw/zinc/48/62/17/403486217.db2.gz SYZLUEKNOBYLJB-WHOFXGATSA-N 0 3 319.405 2.236 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)c(C#N)c1C ZINC000286265838 403486220 /nfs/dbraw/zinc/48/62/20/403486220.db2.gz SYZLUEKNOBYLJB-WHOFXGATSA-N 0 3 319.405 2.236 20 30 DEEDHN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)C(C)C#N ZINC000339920112 403494635 /nfs/dbraw/zinc/49/46/35/403494635.db2.gz CLXROPVNODNYNV-DZGCQCFKSA-N 0 3 302.374 2.362 20 30 DEEDHN CCOC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000286322231 403499670 /nfs/dbraw/zinc/49/96/70/403499670.db2.gz WPVDJBMNHTWCOK-AWEZNQCLSA-N 0 3 307.394 2.357 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1CCc2ccccc21 ZINC000346581866 403594354 /nfs/dbraw/zinc/59/43/54/403594354.db2.gz BZIZJBTUYRPFKM-MRXNPFEDSA-N 0 3 315.417 2.398 20 30 DEEDHN C[C@H](CO)N1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000346666576 403597395 /nfs/dbraw/zinc/59/73/95/403597395.db2.gz YNBJDCZXTOTQGI-OAHLLOKOSA-N 0 3 306.837 2.080 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCCCO2)CC1 ZINC000346746966 403600749 /nfs/dbraw/zinc/60/07/49/403600749.db2.gz BLBANLXABAPYPC-ZBFHGGJFSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346170501 403577597 /nfs/dbraw/zinc/57/75/97/403577597.db2.gz AICKGCUKVFYMHK-HLLBOEOZSA-N 0 3 301.434 2.476 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOCCc1ccccc1 ZINC000293848505 403579543 /nfs/dbraw/zinc/57/95/43/403579543.db2.gz AILPPBXDIJHDFB-UHFFFAOYSA-N 0 3 316.445 2.097 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)n(-c2ccc(C)cc2)n1 ZINC000293953074 403607808 /nfs/dbraw/zinc/60/78/08/403607808.db2.gz KEIXSPSNGPAHNU-UHFFFAOYSA-N 0 3 324.428 2.174 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NCc3cnccn3)C2)c(F)c1 ZINC000567025676 292283947 /nfs/dbraw/zinc/28/39/47/292283947.db2.gz WULPLRMGFSOXSL-AWEZNQCLSA-N 0 3 311.364 2.246 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)oc1C(F)(F)F ZINC000294024327 403627268 /nfs/dbraw/zinc/62/72/68/403627268.db2.gz QUCLMBDKCWTLGZ-UHFFFAOYSA-N 0 3 302.296 2.292 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1oc(Br)cc1C ZINC000294042329 403631743 /nfs/dbraw/zinc/63/17/43/403631743.db2.gz SPJNQHYKZLTPAX-UHFFFAOYSA-N 0 3 313.195 2.035 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294258005 403685937 /nfs/dbraw/zinc/68/59/37/403685937.db2.gz UWFJSQWCBCDVRR-GOEBONIOSA-N 0 3 324.783 2.038 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301992365 403706668 /nfs/dbraw/zinc/70/66/68/403706668.db2.gz NCWHMTZFLNHBDI-UHFFFAOYSA-N 0 3 316.365 2.090 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(O)CCCCCC2)CC1 ZINC000304247112 403771796 /nfs/dbraw/zinc/77/17/96/403771796.db2.gz OOIQWJYGFZFIDU-UHFFFAOYSA-N 0 3 309.454 2.021 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2COc3ccccc32)CC1 ZINC000288997488 403805929 /nfs/dbraw/zinc/80/59/29/403805929.db2.gz YXFSYYXURFYWQK-AWEZNQCLSA-N 0 3 315.417 2.112 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C12CCCC2 ZINC000347707573 403817252 /nfs/dbraw/zinc/81/72/52/403817252.db2.gz QJDPDOUNEAVUNG-UXLLHSPISA-N 0 3 319.449 2.122 20 30 DEEDHN C=C(C)COCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000354484165 403831376 /nfs/dbraw/zinc/83/13/76/403831376.db2.gz WSIYBKNQEXJNIJ-UHFFFAOYSA-N 0 3 323.481 2.485 20 30 DEEDHN CC(=O)NCC[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000347629459 403782743 /nfs/dbraw/zinc/78/27/43/403782743.db2.gz KSIRSCMIEOXTKU-KRWDZBQOSA-N 0 3 315.417 2.175 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000295199957 403793763 /nfs/dbraw/zinc/79/37/63/403793763.db2.gz VXZYGRXHIIKBBA-KSSFIOAISA-N 0 3 312.413 2.301 20 30 DEEDHN CC(C)[C@@H](NCCC1(C#N)CCCCC1)C(=O)N1CCOCC1 ZINC000411476060 403867539 /nfs/dbraw/zinc/86/75/39/403867539.db2.gz TXDUKKVPVAPGLL-MRXNPFEDSA-N 0 3 321.465 2.324 20 30 DEEDHN C#Cc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000289226630 403877774 /nfs/dbraw/zinc/87/77/74/403877774.db2.gz CVBPVPBUYHQUOU-OAHLLOKOSA-N 0 3 312.335 2.021 20 30 DEEDHN Cn1cc([C@@H]2CN(CCC3(C#N)CCCCC3)C[C@H]2CO)cn1 ZINC000411650602 403925319 /nfs/dbraw/zinc/92/53/19/403925319.db2.gz WEWPWNCVLRFUTR-IRXDYDNUSA-N 0 3 316.449 2.292 20 30 DEEDHN C#CCOCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000362132984 403927885 /nfs/dbraw/zinc/92/78/85/403927885.db2.gz WSIPZGSSHGJHHW-FUHWJXTLSA-N 0 3 312.413 2.169 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000362808137 403990896 /nfs/dbraw/zinc/99/08/96/403990896.db2.gz JJWIOCBJAUGFRR-IRXDYDNUSA-N 0 3 302.418 2.346 20 30 DEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(I)cc1 ZINC000289791387 403998309 /nfs/dbraw/zinc/99/83/09/403998309.db2.gz NFDATLPDZAAJLO-CABZTGNLSA-N 0 3 317.170 2.489 20 30 DEEDHN CN(C)c1ncccc1O[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000295690849 404005842 /nfs/dbraw/zinc/00/58/42/404005842.db2.gz DJTDJHLMKMKRHT-RBSFLKMASA-N 0 3 300.406 2.293 20 30 DEEDHN N#Cc1ccc(CNC2CCN(C(=O)CC(F)(F)F)CC2)o1 ZINC000344275639 404025323 /nfs/dbraw/zinc/02/53/23/404025323.db2.gz QDAHGVOGRUVPER-UHFFFAOYSA-N 0 3 315.295 2.184 20 30 DEEDHN C=CCOCCCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000347961887 403980250 /nfs/dbraw/zinc/98/02/50/403980250.db2.gz BIFNTGNNTVERBC-UHFFFAOYSA-N 0 3 302.418 2.474 20 30 DEEDHN CC(C)(C#N)CCCN1CCC[C@H]1C(=O)N1CCSCC1 ZINC000363115341 404079038 /nfs/dbraw/zinc/07/90/38/404079038.db2.gz YOTXYTUUQUMPNR-AWEZNQCLSA-N 0 3 309.479 2.356 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000290224332 404088152 /nfs/dbraw/zinc/08/81/52/404088152.db2.gz RBDJOGWBAHRXRI-NHYWBVRUSA-N 0 3 302.353 2.255 20 30 DEEDHN C=C(C)COCCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000354899006 404088482 /nfs/dbraw/zinc/08/84/82/404088482.db2.gz VHAQXTRVHJEJQS-UHFFFAOYSA-N 0 3 323.437 2.254 20 30 DEEDHN N#Cc1ccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)cc1F ZINC000411966518 404036660 /nfs/dbraw/zinc/03/66/60/404036660.db2.gz LSSLYXYRYSJULZ-LJQANCHMSA-N 0 3 323.371 2.326 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290107593 404043912 /nfs/dbraw/zinc/04/39/12/404043912.db2.gz JHRGYPHPGREKEF-RHSMWYFYSA-N 0 3 314.429 2.361 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000348356720 404062286 /nfs/dbraw/zinc/06/22/86/404062286.db2.gz YKCNSLRNCBLBRV-IKGGRYGDSA-N 0 3 311.385 2.314 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000328223533 404105664 /nfs/dbraw/zinc/10/56/64/404105664.db2.gz AXHSHTLIVGBLFQ-CHWSQXEVSA-N 0 3 304.356 2.426 20 30 DEEDHN CCN1CCC[C@H](NC(=O)NCCc2c[nH]c3ncccc23)C1 ZINC000328652416 404124537 /nfs/dbraw/zinc/12/45/37/404124537.db2.gz KLARBEHIIFZFNE-AWEZNQCLSA-N 0 3 315.421 2.093 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CO)[C@@H]1C ZINC000412098193 404133315 /nfs/dbraw/zinc/13/33/15/404133315.db2.gz VNEOFTFTVZXCRE-DZGCQCFKSA-N 0 3 304.390 2.038 20 30 DEEDHN Cc1cc([C@H]2CCCN(C(=O)NCC3(N(C)C)CCC3)C2)[nH]n1 ZINC000328743731 404141762 /nfs/dbraw/zinc/14/17/62/404141762.db2.gz ONAINQLYTMRQLO-AWEZNQCLSA-N 0 3 319.453 2.296 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000296214879 404148384 /nfs/dbraw/zinc/14/83/84/404148384.db2.gz WPFKLXWIXOWYCB-IUIKQTSFSA-N 0 3 301.390 2.146 20 30 DEEDHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H](C2CCOCC2)C1 ZINC000328815862 404155191 /nfs/dbraw/zinc/15/51/91/404155191.db2.gz GMPASUYBCSCPLA-KBMXLJTQSA-N 0 3 310.438 2.259 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000296214884 404147624 /nfs/dbraw/zinc/14/76/24/404147624.db2.gz WPFKLXWIXOWYCB-XFBWCDHKSA-N 0 3 301.390 2.146 20 30 DEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCC(C)(C)C#N)cc1 ZINC000355091290 404212605 /nfs/dbraw/zinc/21/26/05/404212605.db2.gz ZPNDMKXIUSINFK-OAHLLOKOSA-N 0 3 318.421 2.147 20 30 DEEDHN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc(C#N)c1 ZINC000341782286 404169661 /nfs/dbraw/zinc/16/96/61/404169661.db2.gz ZSFCAVAISYYFOL-CYBMUJFWSA-N 0 3 306.431 2.424 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H](COC)C2)CC1 ZINC000363810564 404222912 /nfs/dbraw/zinc/22/29/12/404222912.db2.gz CIBQOJZAUXEWQX-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN COc1cc(CN2CC[C@H](Cc3cnn(C)c3)C2)ccc1C#N ZINC000369722609 404208301 /nfs/dbraw/zinc/20/83/01/404208301.db2.gz SMGCUOZXPFXPDY-OAHLLOKOSA-N 0 3 310.401 2.365 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)NCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000355087630 404209328 /nfs/dbraw/zinc/20/93/28/404209328.db2.gz SUVAJGWBEMNDRM-GDBMZVCRSA-N 0 3 314.433 2.498 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329041370 404209823 /nfs/dbraw/zinc/20/98/23/404209823.db2.gz SUROVRIGGHWARV-LSDHHAIUSA-N 0 3 307.438 2.076 20 30 DEEDHN O=C(CN1Cc2ccccc2C1=O)NC1CCN(C2CC2)CC1 ZINC000329143776 404243619 /nfs/dbraw/zinc/24/36/19/404243619.db2.gz MJRHYIQKBSCIHD-UHFFFAOYSA-N 0 3 313.401 2.226 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000329169368 404252369 /nfs/dbraw/zinc/25/23/69/404252369.db2.gz JCTXJBPVCQQHPH-CXTNEJHOSA-N 0 3 306.410 2.079 20 30 DEEDHN O=C(N[C@@H](CO)CN1CCCCC1)c1cccc2c1CCC2 ZINC000329182699 404256459 /nfs/dbraw/zinc/25/64/59/404256459.db2.gz OQLOYMQRCAGGEA-OAHLLOKOSA-N 0 3 302.418 2.327 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000352274556 404260875 /nfs/dbraw/zinc/26/08/75/404260875.db2.gz VDPVQIVBAFFZMY-UHFFFAOYSA-N 0 3 315.392 2.397 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1C ZINC000341948125 404272609 /nfs/dbraw/zinc/27/26/09/404272609.db2.gz RIMJYZUUZKSARZ-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)SCC(=O)N2)c1ccncn1 ZINC000355200291 404277662 /nfs/dbraw/zinc/27/76/62/404277662.db2.gz CARMIGYWQINUOX-JTQLQIEISA-N 0 3 310.338 2.011 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)C1=CCN(C)CC1 ZINC000329261270 404281246 /nfs/dbraw/zinc/28/12/46/404281246.db2.gz AVWLJSPYWSVVFZ-HNKHHVNMSA-N 0 3 307.438 2.098 20 30 DEEDHN Cc1cc(C)c(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c(=O)[nH]1 ZINC000329265394 404283286 /nfs/dbraw/zinc/28/32/86/404283286.db2.gz CGRGBHVSQFYAHF-ZDUSSCGKSA-N 0 3 318.421 2.058 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCc2noc3c2CCCC3)CCN1C ZINC000329271808 404285091 /nfs/dbraw/zinc/28/50/91/404285091.db2.gz IGINHYWTKYLJCQ-VXGBXAGGSA-N 0 3 306.410 2.040 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(O)c2)cc1 ZINC000349856365 404229986 /nfs/dbraw/zinc/22/99/86/404229986.db2.gz RXUYTXGOKLHEPT-MRXNPFEDSA-N 0 3 305.337 2.263 20 30 DEEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CC(O)C1 ZINC000355362241 404329023 /nfs/dbraw/zinc/32/90/23/404329023.db2.gz IUJXXRSNKMQRSM-UHFFFAOYSA-N 0 3 310.401 2.419 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)Cc1ccccn1 ZINC000355405451 404329850 /nfs/dbraw/zinc/32/98/50/404329850.db2.gz AKXJIBANTUYYGK-GASCZTMLSA-N 0 3 300.406 2.197 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355490075 404343882 /nfs/dbraw/zinc/34/38/82/404343882.db2.gz CWBKHSFXAFFZBG-HNNXBMFYSA-N 0 3 317.433 2.487 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)NC3CCCC3)[C@@H]2C1 ZINC000329469736 404346692 /nfs/dbraw/zinc/34/66/92/404346692.db2.gz YIRSLESHEKHGTH-UKRRQHHQSA-N 0 3 307.438 2.218 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000344760144 404353864 /nfs/dbraw/zinc/35/38/64/404353864.db2.gz OFAFVAUMOABMED-GOEBONIOSA-N 0 3 320.458 2.369 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000344760160 404354112 /nfs/dbraw/zinc/35/41/12/404354112.db2.gz OFAFVAUMOABMED-ZBFHGGJFSA-N 0 3 320.458 2.369 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H](O)C(F)F)ccc1OC ZINC000344783574 404366246 /nfs/dbraw/zinc/36/62/46/404366246.db2.gz ZYBKDACABWIKPJ-LBPRGKRZSA-N 0 3 301.333 2.366 20 30 DEEDHN O=C(NC1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1)C1CC1 ZINC000329541891 404369566 /nfs/dbraw/zinc/36/95/66/404369566.db2.gz XMEYWMXCRXQAHU-MRXNPFEDSA-N 0 3 319.449 2.218 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296934729 404379503 /nfs/dbraw/zinc/37/95/03/404379503.db2.gz SMWLIDWXFUCJLE-UHOFOFEASA-N 0 3 315.442 2.000 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000329597179 404386638 /nfs/dbraw/zinc/38/66/38/404386638.db2.gz CKYYWYKNMFNGOF-PMPSAXMXSA-N 0 3 319.453 2.164 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616198 404394983 /nfs/dbraw/zinc/39/49/83/404394983.db2.gz LIEBIZSSMRSVHV-GXTWGEPZSA-N 0 3 317.437 2.402 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C(=O)N[C@@H]3CN(C(C)C)C[C@@H]3C)C2)c1 ZINC000329626489 404398769 /nfs/dbraw/zinc/39/87/69/404398769.db2.gz TYRKLSXTLVNPJT-ARFHVFGLSA-N 0 3 319.453 2.081 20 30 DEEDHN Cc1cc(NC(=O)c2ccc(C#N)o2)n(C2CCN(C)CC2)n1 ZINC000342322700 404509182 /nfs/dbraw/zinc/50/91/82/404509182.db2.gz LPJZMPXPMUTVAC-UHFFFAOYSA-N 0 3 313.361 2.175 20 30 DEEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C)C[C@@H]1C ZINC000351070936 404510421 /nfs/dbraw/zinc/51/04/21/404510421.db2.gz CCYRPARGOWBKBL-KBPBESRZSA-N 0 3 324.432 2.273 20 30 DEEDHN C[C@H](NC(=O)N[C@]1(C)CCO[C@H]1C1CC1)C1=CCN(C)CC1 ZINC000329731051 404435683 /nfs/dbraw/zinc/43/56/83/404435683.db2.gz GMCOGHYKIYMTKT-YLQAJVPDSA-N 0 3 307.438 2.098 20 30 DEEDHN CN1CN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1=O ZINC000329746630 404439222 /nfs/dbraw/zinc/43/92/22/404439222.db2.gz RXMNPCPRKGUGIE-HUUCEWRRSA-N 0 3 301.390 2.043 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000297076838 404440059 /nfs/dbraw/zinc/44/00/59/404440059.db2.gz ZCNOEZMZFKSJTN-AWEZNQCLSA-N 0 3 320.462 2.157 20 30 DEEDHN O=C(Cn1ccc2ccccc2c1=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329823201 404461793 /nfs/dbraw/zinc/46/17/93/404461793.db2.gz BBBLLLYOBOSMSP-CQSZACIVSA-N 0 3 311.385 2.195 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000350753080 404462882 /nfs/dbraw/zinc/46/28/82/404462882.db2.gz WBQIFFABCWDWCJ-KBPBESRZSA-N 0 3 314.437 2.378 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000329830186 404465491 /nfs/dbraw/zinc/46/54/91/404465491.db2.gz KAKXUCYAGNRAQF-BZPMIXESSA-N 0 3 307.438 2.073 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)[C@H]1CCC[C@H]1O ZINC000352676479 404539264 /nfs/dbraw/zinc/53/92/64/404539264.db2.gz SXWXXVLLWFFQMZ-CWRNSKLLSA-N 0 3 322.474 2.496 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CCN4CCCC[C@H]4C3)o2)c1 ZINC000330090149 404548024 /nfs/dbraw/zinc/54/80/24/404548024.db2.gz WNXBQVDUYAPVMH-INIZCTEOSA-N 0 3 323.400 2.278 20 30 DEEDHN CN(CCN1CCN(Cc2ccccc2)CC1)CC1(C#N)CC1 ZINC000352704896 404563225 /nfs/dbraw/zinc/56/32/25/404563225.db2.gz MBRYKJNMRDDOKI-UHFFFAOYSA-N 0 3 312.461 2.040 20 30 DEEDHN CC(C(=O)NC1(C)CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330160523 404570817 /nfs/dbraw/zinc/57/08/17/404570817.db2.gz RFZKZDYTGBHVEV-LLVKDONJSA-N 0 3 303.424 2.258 20 30 DEEDHN C[C@H](Cc1cccc(O)c1)NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000330193712 404580733 /nfs/dbraw/zinc/58/07/33/404580733.db2.gz YROMJMBEDZGGHY-RDTXWAMCSA-N 0 3 317.433 2.265 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CCN(c2cccnn2)CC1 ZINC000330275810 404611744 /nfs/dbraw/zinc/61/17/44/404611744.db2.gz MAGAVSAPACEIJC-ZIAGYGMSSA-N 0 3 317.437 2.275 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000330320488 404625734 /nfs/dbraw/zinc/62/57/34/404625734.db2.gz FDXXJPNEKNXXIK-HRCADAONSA-N 0 3 320.437 2.327 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)c(C#N)c1C ZINC000365346208 404626983 /nfs/dbraw/zinc/62/69/83/404626983.db2.gz VGYSNTCMYJAZJU-UKRRQHHQSA-N 0 3 319.430 2.332 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc(F)c1Cl ZINC000414435111 404628216 /nfs/dbraw/zinc/62/82/16/404628216.db2.gz WUPBOCWNQLADBY-VIFPVBQESA-N 0 3 319.785 2.085 20 30 DEEDHN C[C@H]1CSC[C@@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000352800803 404633710 /nfs/dbraw/zinc/63/37/10/404633710.db2.gz PXOMVQKJEQMWHG-ZFWWWQNUSA-N 0 3 303.431 2.274 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000357424467 404734227 /nfs/dbraw/zinc/73/42/27/404734227.db2.gz WKBQBNDZINHIHK-UKRRQHHQSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(NC(C)=O)c2)CC1 ZINC000357585769 404738615 /nfs/dbraw/zinc/73/86/15/404738615.db2.gz XXZKLGRSLSKCDX-UHFFFAOYSA-N 0 3 301.390 2.025 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2c3ccccc3nn2C)nc(C)n1 ZINC000357768177 404742797 /nfs/dbraw/zinc/74/27/97/404742797.db2.gz MBDNAIUNPHECQD-ZDUSSCGKSA-N 0 3 305.341 2.470 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Br)cc1)c1ccncn1 ZINC000358041419 404752196 /nfs/dbraw/zinc/75/21/96/404752196.db2.gz AKOWXUFOLVUEQP-NSHDSACASA-N 0 3 317.146 2.485 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)OC[C@@H]2CC)CC1 ZINC000358392986 404761854 /nfs/dbraw/zinc/76/18/54/404761854.db2.gz ZLXUPZNKSZMZHQ-HOCLYGCPSA-N 0 3 309.454 2.236 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000358874701 404777929 /nfs/dbraw/zinc/77/79/29/404777929.db2.gz WHJMPBBZLYAGHB-XUJVJEKNSA-N 0 3 317.364 2.154 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000358874699 404778064 /nfs/dbraw/zinc/77/80/64/404778064.db2.gz WHJMPBBZLYAGHB-LALPHHSUSA-N 0 3 317.364 2.154 20 30 DEEDHN CC#CCNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000359186661 404786416 /nfs/dbraw/zinc/78/64/16/404786416.db2.gz COOHCBXQGIBEGE-QGZVFWFLSA-N 0 3 301.434 2.466 20 30 DEEDHN CC#CCNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000359652784 404800410 /nfs/dbraw/zinc/80/04/10/404800410.db2.gz PNEVGJRSNBHNCD-QGZVFWFLSA-N 0 3 317.433 2.399 20 30 DEEDHN CN(C)C1(CNC(=O)CSCc2ccc(C#N)cc2)CCC1 ZINC000353333148 404805244 /nfs/dbraw/zinc/80/52/44/404805244.db2.gz FGEMZRZOTDJJEO-UHFFFAOYSA-N 0 3 317.458 2.392 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000353337837 404806239 /nfs/dbraw/zinc/80/62/39/404806239.db2.gz NPQLMYROIPYNND-UHFFFAOYSA-N 0 3 324.513 2.400 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000359904423 404808483 /nfs/dbraw/zinc/80/84/83/404808483.db2.gz CUWRMVOXADLHIN-SNVBAGLBSA-N 0 3 300.249 2.375 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)N(CC#N)C2CC2)[C@H](C(F)(F)F)C1 ZINC000366598978 404822336 /nfs/dbraw/zinc/82/23/36/404822336.db2.gz DEVYURDYNNQELX-VXGBXAGGSA-N 0 3 317.355 2.410 20 30 DEEDHN Cn1cc(CNc2cccc(CN3CC[C@H](O)C3)c2)cc1C#N ZINC000361050239 404894163 /nfs/dbraw/zinc/89/41/63/404894163.db2.gz IGZYBFQUUHNBTB-SFHVURJKSA-N 0 3 310.401 2.075 20 30 DEEDHN C=CCC[C@@H](C)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000451209636 404903674 /nfs/dbraw/zinc/90/36/74/404903674.db2.gz QNXJKGDOIVMMLP-XCLFUZPHSA-N 0 3 301.452 2.117 20 30 DEEDHN Cc1ncc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(=O)[n-]1 ZINC000353669860 404911277 /nfs/dbraw/zinc/91/12/77/404911277.db2.gz JQGYXLFDWPAWDB-UHFFFAOYSA-N 0 3 323.400 2.121 20 30 DEEDHN CN(Cc1cccc(Br)c1)C(=O)[C@H](N)CCCC#N ZINC000424099166 405005993 /nfs/dbraw/zinc/00/59/93/405005993.db2.gz MBLUMLYIUZPVBD-CYBMUJFWSA-N 0 3 324.222 2.429 20 30 DEEDHN COc1ccc(CC[C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424099928 405006250 /nfs/dbraw/zinc/00/62/50/405006250.db2.gz NFAABCGEEBHAQY-BBRMVZONSA-N 0 3 303.406 2.154 20 30 DEEDHN COC1([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000416026296 405009880 /nfs/dbraw/zinc/00/98/80/405009880.db2.gz JHLSKDSDZJYRFO-CJNGLKHVSA-N 0 3 311.385 2.314 20 30 DEEDHN COc1ccccc1[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424118365 405013299 /nfs/dbraw/zinc/01/32/99/405013299.db2.gz DHITXERVRLUUIA-DZGCQCFKSA-N 0 3 301.390 2.032 20 30 DEEDHN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H](N)CCCC#N ZINC000424143607 405020622 /nfs/dbraw/zinc/02/06/22/405020622.db2.gz WMWZYSBJOCVSSM-MEBBXXQBSA-N 0 3 307.344 2.432 20 30 DEEDHN Cc1cc(Br)ccc1CNC(=O)[C@H](N)CCCC#N ZINC000424144214 405020658 /nfs/dbraw/zinc/02/06/58/405020658.db2.gz RWMSULNIJUHBNP-CYBMUJFWSA-N 0 3 324.222 2.395 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000451754384 405024930 /nfs/dbraw/zinc/02/49/30/405024930.db2.gz IWHHGHRAQIVQET-INIZCTEOSA-N 0 3 314.364 2.367 20 30 DEEDHN CC(C)(C)c1csc(CCNC(=O)[C@H](N)CCCC#N)n1 ZINC000424160819 405026507 /nfs/dbraw/zinc/02/65/07/405026507.db2.gz VAZXGPWJRKIDOW-LLVKDONJSA-N 0 3 308.451 2.120 20 30 DEEDHN Cc1nc([C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)sc1C ZINC000424161275 405026522 /nfs/dbraw/zinc/02/65/22/405026522.db2.gz VLSSIJDIENDGBZ-ZIAGYGMSSA-N 0 3 320.462 2.487 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451424970 404991017 /nfs/dbraw/zinc/99/10/17/404991017.db2.gz SZMAREGOOSFMNH-BBWFWOEESA-N 0 3 313.401 2.122 20 30 DEEDHN CCOc1ccc(OCC)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424070448 404993744 /nfs/dbraw/zinc/99/37/44/404993744.db2.gz XTNDXBZGHUGWPP-ZDUSSCGKSA-N 0 3 305.378 2.444 20 30 DEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000424077302 404996315 /nfs/dbraw/zinc/99/63/15/404996315.db2.gz BGCJHMSSAFQRDV-RHSMWYFYSA-N 0 3 317.433 2.496 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(OC(F)F)c1 ZINC000424083862 405000344 /nfs/dbraw/zinc/00/03/44/405000344.db2.gz BJSHWKHEPRQHRZ-MFKMUULPSA-N 0 3 311.332 2.486 20 30 DEEDHN CC#CCCN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367602247 405100174 /nfs/dbraw/zinc/10/01/74/405100174.db2.gz SBKNPVNWUNDAGP-INIZCTEOSA-N 0 3 321.465 2.027 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2cccc(C#N)c2F)CC1 ZINC000451988759 405120382 /nfs/dbraw/zinc/12/03/82/405120382.db2.gz PMGGRVFDOHQXIW-UHFFFAOYSA-N 0 3 318.440 2.203 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000424738948 405164362 /nfs/dbraw/zinc/16/43/62/405164362.db2.gz ZMUHJJMJMGZJEG-QGZVFWFLSA-N 0 3 316.445 2.124 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000437596308 405209153 /nfs/dbraw/zinc/20/91/53/405209153.db2.gz WSFZXNDPNWANBM-CQSZACIVSA-N 0 3 303.381 2.246 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000425486976 405298133 /nfs/dbraw/zinc/29/81/33/405298133.db2.gz YCEOZXIZRCNYPK-CJNGLKHVSA-N 0 3 312.417 2.497 20 30 DEEDHN C[C@H]1CCCCN1CCNC(=O)NCc1ccc(C#N)s1 ZINC000420791002 405384863 /nfs/dbraw/zinc/38/48/63/405384863.db2.gz ZTIYTTOTNDOBJI-LBPRGKRZSA-N 0 3 306.435 2.293 20 30 DEEDHN CC(C#N)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427600168 405413654 /nfs/dbraw/zinc/41/36/54/405413654.db2.gz RYCPYHMRUHMTEB-ZETCQYMHSA-N 0 3 301.224 2.389 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000447465485 405415125 /nfs/dbraw/zinc/41/51/25/405415125.db2.gz XLJXYUBIQVSZCA-UHFFFAOYSA-N 0 3 314.389 2.440 20 30 DEEDHN CN1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448597161 405424862 /nfs/dbraw/zinc/42/48/62/405424862.db2.gz JCGFXAXQAUJXAO-UHFFFAOYSA-N 0 3 322.206 2.145 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000448602226 405425789 /nfs/dbraw/zinc/42/57/89/405425789.db2.gz BPQUOTAHIOUXCN-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CCO)CC1 ZINC000421019626 405431478 /nfs/dbraw/zinc/43/14/78/405431478.db2.gz PSODHZWZDYOESW-OAHLLOKOSA-N 0 3 318.417 2.430 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@H](C)C1(OC)CCOCC1 ZINC000421027147 405434991 /nfs/dbraw/zinc/43/49/91/405434991.db2.gz GCQPHRRPHNBYBB-CYBMUJFWSA-N 0 3 304.390 2.241 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000429721063 405445265 /nfs/dbraw/zinc/44/52/65/405445265.db2.gz JLQCNJYPTBVUSK-AWEZNQCLSA-N 0 3 309.479 2.193 20 30 DEEDHN CN(CCNC(=O)N(C)CC(C)(C)C#N)Cc1ccccc1 ZINC000457932304 405475557 /nfs/dbraw/zinc/47/55/57/405475557.db2.gz LUBAKQTVZDXWTB-UHFFFAOYSA-N 0 3 302.422 2.310 20 30 DEEDHN COc1cc(CNC[C@@H](CO)Cc2ccco2)ccc1C#N ZINC000557678596 405620791 /nfs/dbraw/zinc/62/07/91/405620791.db2.gz NAEMVJCGYOUPMG-AWEZNQCLSA-N 0 3 300.358 2.101 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCCC12CCC2 ZINC000528476598 405626189 /nfs/dbraw/zinc/62/61/89/405626189.db2.gz KFJGUUVLTYEMLX-UHFFFAOYSA-N 0 3 308.381 2.305 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000558520231 405667920 /nfs/dbraw/zinc/66/79/20/405667920.db2.gz QEHRYTBIMSBAKC-MRXNPFEDSA-N 0 3 314.433 2.302 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCCC(F)(F)CC1 ZINC000528643683 405695027 /nfs/dbraw/zinc/69/50/27/405695027.db2.gz QGRXZHMFLFUOQY-AWEZNQCLSA-N 0 3 310.344 2.419 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000459031056 405703556 /nfs/dbraw/zinc/70/35/56/405703556.db2.gz PZOTXWGUKYXAFG-SJORKVTESA-N 0 3 321.465 2.237 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000582402073 405720958 /nfs/dbraw/zinc/72/09/58/405720958.db2.gz URJAMKWFQPRPQD-VNSKZABOSA-N 0 3 318.461 2.393 20 30 DEEDHN CON1CCC(N(C)C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000457322381 405798745 /nfs/dbraw/zinc/79/87/45/405798745.db2.gz WBWRGUSAMGKHMK-INIZCTEOSA-N 0 3 315.417 2.243 20 30 DEEDHN CC(C)[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000459426353 405898837 /nfs/dbraw/zinc/89/88/37/405898837.db2.gz TVFRIAQSBNUNHI-INIZCTEOSA-N 0 3 302.378 2.238 20 30 DEEDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)cn1 ZINC000584180277 405842105 /nfs/dbraw/zinc/84/21/05/405842105.db2.gz ICCPVQAUVUEXMK-RDTXWAMCSA-N 0 3 323.396 2.463 20 30 DEEDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)cn1 ZINC000584180274 405843473 /nfs/dbraw/zinc/84/34/73/405843473.db2.gz ICCPVQAUVUEXMK-KBXCAEBGSA-N 0 3 323.396 2.463 20 30 DEEDHN Cn1cc(CCCNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000433352331 405929847 /nfs/dbraw/zinc/92/98/47/405929847.db2.gz IICPVLOVWUAOLS-QGZVFWFLSA-N 0 3 310.401 2.241 20 30 DEEDHN CN1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619759681 405932345 /nfs/dbraw/zinc/93/23/45/405932345.db2.gz XSOBUJNKADSNKG-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN CC(=NNC1=N[C@H]2CCCC[C@H]2N1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000495848534 405935853 /nfs/dbraw/zinc/93/58/53/405935853.db2.gz GBDUJGKJAAGLPV-RTXFEEFZSA-N 0 3 323.441 2.136 20 30 DEEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)Cn1cccn1 ZINC000433232261 405905398 /nfs/dbraw/zinc/90/53/98/405905398.db2.gz ZULJCXSUTJVPQF-WBVHZDCISA-N 0 3 310.401 2.408 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(CC2CC2)CC1 ZINC000433314855 405921277 /nfs/dbraw/zinc/92/12/77/405921277.db2.gz CBEFCTGEHQBRCX-GOSISDBHSA-N 0 3 311.429 2.313 20 30 DEEDHN CN(C)Cc1ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000451009406 406015723 /nfs/dbraw/zinc/01/57/23/406015723.db2.gz OUJUEZFWDSFOOM-UHFFFAOYSA-N 0 3 323.462 2.107 20 30 DEEDHN C[C@@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000459606723 405981541 /nfs/dbraw/zinc/98/15/41/405981541.db2.gz FLMRPFAIDUAHLR-CJNGLKHVSA-N 0 3 321.446 2.285 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CNCC1(CC#N)CC1 ZINC000566556697 406089593 /nfs/dbraw/zinc/08/95/93/406089593.db2.gz RNRMICWNHVZWQY-MRXNPFEDSA-N 0 3 300.402 2.438 20 30 DEEDHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507220991 406053362 /nfs/dbraw/zinc/05/33/62/406053362.db2.gz CSEDMCMYHGUQEI-DFBGVHRSSA-N 0 3 301.415 2.005 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000514748423 406054847 /nfs/dbraw/zinc/05/48/47/406054847.db2.gz XZTOBDJOFVJQJF-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(CC#N)CC2)cc1 ZINC000563672229 406061242 /nfs/dbraw/zinc/06/12/42/406061242.db2.gz ORIVJHIPPIQRJJ-UHFFFAOYSA-N 0 3 321.446 2.063 20 30 DEEDHN CCN(CC)[C@@H](CNc1ccnc(C#N)n1)c1ccsc1 ZINC000518795865 406160033 /nfs/dbraw/zinc/16/00/33/406160033.db2.gz HQIMQWJVKYXSHY-ZDUSSCGKSA-N 0 3 301.419 2.327 20 30 DEEDHN CC(C)(C)CCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000567690737 406120276 /nfs/dbraw/zinc/12/02/76/406120276.db2.gz IGGHPJOMXMTALF-UHFFFAOYSA-N 0 3 309.435 2.143 20 30 DEEDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)CN(C)CCC#N)c1 ZINC000568077388 406189703 /nfs/dbraw/zinc/18/97/03/406189703.db2.gz PZTDKCBXIBCLBB-DOTOQJQBSA-N 0 3 319.449 2.331 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCCN(c2ccncc2)CC1 ZINC000639682287 406204619 /nfs/dbraw/zinc/20/46/19/406204619.db2.gz RMUSFQSRAHOJDX-UHFFFAOYSA-N 0 3 316.449 2.018 20 30 DEEDHN Cc1noc([C@@H](C)N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000569137854 406224838 /nfs/dbraw/zinc/22/48/38/406224838.db2.gz OXFWZBHBEJAQAT-IAQYHMDHSA-N 0 3 323.356 2.152 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000487648184 406253144 /nfs/dbraw/zinc/25/31/44/406253144.db2.gz ABSUSKUYHZRDSL-PBHICJAKSA-N 0 3 302.418 2.459 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000537159458 406284762 /nfs/dbraw/zinc/28/47/62/406284762.db2.gz VCECVHZKCXTLML-AWEZNQCLSA-N 0 3 315.417 2.393 20 30 DEEDHN C=C(C)CN1CCC(Nc2ncc(C(=O)OCC)c(C)n2)CC1 ZINC000540867966 406297699 /nfs/dbraw/zinc/29/76/99/406297699.db2.gz QJYAHLWGJJCFBR-UHFFFAOYSA-N 0 3 318.421 2.414 20 30 DEEDHN N#CCSCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000523541865 406427868 /nfs/dbraw/zinc/42/78/68/406427868.db2.gz PMOCJNONGJIDBV-UHFFFAOYSA-N 0 3 303.431 2.372 20 30 DEEDHN Cc1ncc2c(n1)CCN(CCCC1(C#N)CCOCC1)C2 ZINC000521818501 406367057 /nfs/dbraw/zinc/36/70/57/406367057.db2.gz UMNDOUMAHZYTIQ-UHFFFAOYSA-N 0 3 300.406 2.244 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccnn2CCC(C)C)CC1 ZINC000490603419 406474197 /nfs/dbraw/zinc/47/41/97/406474197.db2.gz CEEYPPLNMSELJF-UHFFFAOYSA-N 0 3 302.422 2.213 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570763598 406435896 /nfs/dbraw/zinc/43/58/96/406435896.db2.gz AMLZOWLELUSSCM-BFYDXBDKSA-N 0 3 318.442 2.491 20 30 DEEDHN C#CCNC(=O)C1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000491202477 406543321 /nfs/dbraw/zinc/54/33/21/406543321.db2.gz OMHRGZZJRKMOFM-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCNC(=O)C1CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000491202478 406543517 /nfs/dbraw/zinc/54/35/17/406543517.db2.gz OMHRGZZJRKMOFM-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)N(CCC#N)CCC#N ZINC000189506670 286708940 /nfs/dbraw/zinc/70/89/40/286708940.db2.gz IZLFLOJJJNVIFX-LSDHHAIUSA-N 0 3 322.478 2.296 20 30 DEEDHN C#CCNC(=O)CCNCc1ccc(F)cc1C(F)(F)F ZINC000491092100 406526633 /nfs/dbraw/zinc/52/66/33/406526633.db2.gz AZERNOALDFOXEM-UHFFFAOYSA-N 0 3 302.271 2.074 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccnn2CC2CCC2)CC1 ZINC000640665422 406601603 /nfs/dbraw/zinc/60/16/03/406601603.db2.gz DEGWIUFKCBOALG-UHFFFAOYSA-N 0 3 317.437 2.455 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(C)(C)Cc1ccccc1OC ZINC000491554941 406620985 /nfs/dbraw/zinc/62/09/85/406620985.db2.gz NKSJYICBMSRQNJ-UHFFFAOYSA-N 0 3 316.445 2.335 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2CSc3ccccc32)CC1 ZINC000491426848 406591560 /nfs/dbraw/zinc/59/15/60/406591560.db2.gz IAESLRIRLADJNG-HNNXBMFYSA-N 0 3 314.454 2.337 20 30 DEEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000491712116 406683578 /nfs/dbraw/zinc/68/35/78/406683578.db2.gz XIZGOYLUIZYXDG-YPMHNXCESA-N 0 3 301.308 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1SCCc2ccccc21 ZINC000491773918 406710692 /nfs/dbraw/zinc/71/06/92/406710692.db2.gz WCFRIXHHOZGBFG-MRXNPFEDSA-N 0 3 302.443 2.088 20 30 DEEDHN C#CCNC(=O)C1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000491775929 406712771 /nfs/dbraw/zinc/71/27/71/406712771.db2.gz DPBQHCQPEJBSBN-SOFGYWHQSA-N 0 3 312.413 2.170 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000552501067 406715297 /nfs/dbraw/zinc/71/52/97/406715297.db2.gz PWQGMMKCTOSQNV-OAHLLOKOSA-N 0 3 315.392 2.373 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491795393 406723687 /nfs/dbraw/zinc/72/36/87/406723687.db2.gz VRACFVZNAADWJD-INIZCTEOSA-N 0 3 315.417 2.471 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC2(C[C@H]1C)CCOCC2 ZINC000646101156 406779845 /nfs/dbraw/zinc/77/98/45/406779845.db2.gz XSGUJYVTKSEBSO-HZPDHXFCSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645416495 407275987 /nfs/dbraw/zinc/27/59/87/407275987.db2.gz ROKODPUVLVPLFM-OAHLLOKOSA-N 0 3 309.454 2.237 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)CC2CC2)C2CC2)s1 ZINC001422964494 1172980042 /nfs/dbraw/zinc/98/00/42/1172980042.db2.gz OMAOWDPAIUCODH-HNNXBMFYSA-N 0 3 303.431 2.404 20 30 DEEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)NCCF ZINC000337530382 287067185 /nfs/dbraw/zinc/06/71/85/287067185.db2.gz CPOOGSJIAGDJGY-WBMJQRKESA-N 0 3 303.381 2.390 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(C)CC1 ZINC000129229255 196031076 /nfs/dbraw/zinc/03/10/76/196031076.db2.gz RXKPVAOEBYJMHC-UHFFFAOYSA-N 0 3 303.381 2.065 20 30 DEEDHN Cc1c(Cl)cnc(N[C@H](CO)CN2CCCCC2)c1C#N ZINC000295637098 225072560 /nfs/dbraw/zinc/07/25/60/225072560.db2.gz CXKDXEWYEIUGBQ-LBPRGKRZSA-N 0 3 308.813 2.174 20 30 DEEDHN CN(C)C/C=C/C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000265644329 225333072 /nfs/dbraw/zinc/33/30/72/225333072.db2.gz MVNYBAPXGZBZFN-WXJAXGNASA-N 0 3 322.206 2.248 20 30 DEEDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330920317 226044015 /nfs/dbraw/zinc/04/40/15/226044015.db2.gz ZJOOVADPLCQLMS-WDEREUQCSA-N 0 3 307.350 2.391 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@H](c2cccs2)N2CCOCC2)C1 ZINC000338963954 226175819 /nfs/dbraw/zinc/17/58/19/226175819.db2.gz RTIIDLBRNLNJBY-QLFBSQMISA-N 0 3 305.447 2.403 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](CO)CC1 ZINC000341049477 226211596 /nfs/dbraw/zinc/21/15/96/226211596.db2.gz NLVOISNTSGMPQZ-IAGOWNOFSA-N 0 3 300.402 2.380 20 30 DEEDHN C=CCOc1cccc(CN2CCC(C(=O)N(C)OC)CC2)c1 ZINC000291294932 222294121 /nfs/dbraw/zinc/29/41/21/222294121.db2.gz PYLYEGFQCYFYQR-UHFFFAOYSA-N 0 3 318.417 2.483 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COCC(C)C ZINC000299450947 229125192 /nfs/dbraw/zinc/12/51/92/229125192.db2.gz WMMISIIQZXLTBE-GOSISDBHSA-N 0 3 320.433 2.040 20 30 DEEDHN Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)ncc1C#N ZINC000603113880 422445598 /nfs/dbraw/zinc/44/55/98/422445598.db2.gz WWSKLSUZFBVQPW-HUUCEWRRSA-N 0 3 313.405 2.400 20 30 DEEDHN COCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1CC=CCC1 ZINC000362243843 424850948 /nfs/dbraw/zinc/85/09/48/424850948.db2.gz FVLFUWPOIYOWQM-AEFFLSMTSA-N 0 3 321.465 2.346 20 30 DEEDHN C[C@@H]1C[C@@H](C)CN(CCSc2nc(N)c(C#N)cc2C#N)C1 ZINC000566497104 424911183 /nfs/dbraw/zinc/91/11/83/424911183.db2.gz SCBLQCLBDRAVGG-VXGBXAGGSA-N 0 3 315.446 2.477 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000263862442 424889565 /nfs/dbraw/zinc/88/95/65/424889565.db2.gz GNNSIAHEDZOKGG-QGZVFWFLSA-N 0 3 312.417 2.326 20 30 DEEDHN C=C[C@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccccc1 ZINC000649369540 425002633 /nfs/dbraw/zinc/00/26/33/425002633.db2.gz BXXVCYSOCUFUPJ-FHLIZLRMSA-N 0 3 324.428 2.033 20 30 DEEDHN C=CCN(C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@H](C)COC ZINC000666751967 425173603 /nfs/dbraw/zinc/17/36/03/425173603.db2.gz APZIEVWMBWMDRH-JKSUJKDBSA-N 0 3 311.470 2.339 20 30 DEEDHN C=C(C)COc1cc(CNCC[C@]2(O)CCOC2)ccc1OC ZINC000651942313 425152630 /nfs/dbraw/zinc/15/26/30/425152630.db2.gz CGYKQKJDNMXINK-SFHVURJKSA-N 0 3 321.417 2.281 20 30 DEEDHN C=CCN(C(=O)NCC(C)(C)N1CCCCC1)[C@H](C)COC ZINC000663442926 425159662 /nfs/dbraw/zinc/15/96/62/425159662.db2.gz NCSDXQQLESMXBM-OAHLLOKOSA-N 0 3 311.470 2.483 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1c[nH]cn1)C(C)C ZINC000663668360 425210651 /nfs/dbraw/zinc/21/06/51/425210651.db2.gz NUXULOMOOKTVFB-MRXNPFEDSA-N 0 3 319.453 2.250 20 30 DEEDHN C=CCN(C(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@@H](C)COC ZINC000664033612 425293438 /nfs/dbraw/zinc/29/34/38/425293438.db2.gz SRAFQHZGQGCYJE-XHSDSOJGSA-N 0 3 311.470 2.482 20 30 DEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC#Cc2ccc(F)cc2)C1 ZINC000661221403 425354680 /nfs/dbraw/zinc/35/46/80/425354680.db2.gz VTVPMQBYMNFQED-KBAYOESNSA-N 0 3 305.393 2.333 20 30 DEEDHN C=CCN(C[C@H]1CN(c2ccccc2)CCO1)[C@@H](C)COC ZINC000661238995 425357666 /nfs/dbraw/zinc/35/76/66/425357666.db2.gz BICRKHACIVBWOZ-WMZOPIPTSA-N 0 3 304.434 2.415 20 30 DEEDHN C=CCN(CCC(=O)Nc1cc(N)ccc1F)[C@@H](C)COC ZINC000661243295 425359124 /nfs/dbraw/zinc/35/91/24/425359124.db2.gz ZVKBYWAJUYQDJW-LBPRGKRZSA-N 0 3 309.385 2.259 20 30 DEEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)nn1 ZINC000657689342 425385248 /nfs/dbraw/zinc/38/52/48/425385248.db2.gz LYNCSCIMTCGMJT-DOTOQJQBSA-N 0 3 314.437 2.089 20 30 DEEDHN C=CC[C@H]1CCCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000661380519 425395101 /nfs/dbraw/zinc/39/51/01/425395101.db2.gz NIAGJTDSVCQNAM-GOEBONIOSA-N 0 3 302.422 2.204 20 30 DEEDHN C=CCN(CC(=O)N1CCN(Cc2ccco2)CC1)C(C)(C)C ZINC000661759883 425496228 /nfs/dbraw/zinc/49/62/28/425496228.db2.gz KZIGESCJBXKVQD-UHFFFAOYSA-N 0 3 319.449 2.210 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCNc1ccncc1 ZINC000665394929 425561997 /nfs/dbraw/zinc/56/19/97/425561997.db2.gz XNDIQXHGVAIAAP-HOCLYGCPSA-N 0 3 302.422 2.350 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(C)CC1 ZINC000425491618 267858258 /nfs/dbraw/zinc/85/82/58/267858258.db2.gz MKTCTNYPYPMZFF-CYBMUJFWSA-N 0 3 300.406 2.355 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCC#Cc1ccccc1 ZINC000660295231 425785962 /nfs/dbraw/zinc/78/59/62/425785962.db2.gz PROGMCDVTPCCBW-QGZVFWFLSA-N 0 3 313.445 2.458 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc(C(C)C)c1 ZINC000663296960 425825426 /nfs/dbraw/zinc/82/54/26/425825426.db2.gz XGPDWMABLQKUDQ-CYBMUJFWSA-N 0 3 309.431 2.416 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(C2CC2)CC1 ZINC000528509362 268299001 /nfs/dbraw/zinc/29/90/01/268299001.db2.gz ZJHLETIAAKZHST-QGZVFWFLSA-N 0 3 300.402 2.420 20 30 DEEDHN N#Cc1ncccc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397546110 269106840 /nfs/dbraw/zinc/10/68/40/269106840.db2.gz FVEHILVSUHVEHI-UHFFFAOYSA-N 0 3 322.412 2.392 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2cncc(C#N)n2)C1 ZINC000401326248 269111894 /nfs/dbraw/zinc/11/18/94/269111894.db2.gz NKSBLZCIALVOHK-OAHLLOKOSA-N 0 3 307.401 2.307 20 30 DEEDHN C#CCSCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000287372604 273479254 /nfs/dbraw/zinc/47/92/54/273479254.db2.gz IAMFKYNDFBKGGO-HNNXBMFYSA-N 0 3 323.437 2.094 20 30 DEEDHN C=CCC[C@H](CO)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453377552 275424194 /nfs/dbraw/zinc/42/41/94/275424194.db2.gz XXEOOGHJARUADV-HUUCEWRRSA-N 0 3 311.447 2.074 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](O)C23CCCC3)CC1 ZINC000330354046 275738347 /nfs/dbraw/zinc/73/83/47/275738347.db2.gz PDMKISJOXLPETE-MRXNPFEDSA-N 0 3 321.465 2.320 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000157767580 276184425 /nfs/dbraw/zinc/18/44/25/276184425.db2.gz OUDOUBXZFILAKM-HNNXBMFYSA-N 0 3 315.417 2.316 20 30 DEEDHN CO/N=C/C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000283701643 277047019 /nfs/dbraw/zinc/04/70/19/277047019.db2.gz ILKYFSAWHARDKY-GKQSURNASA-N 0 3 303.406 2.130 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)C1=CCN(C)CC1 ZINC000329842459 278132223 /nfs/dbraw/zinc/13/22/23/278132223.db2.gz KKSVQPKCCXOJFZ-BPUTZDHNSA-N 0 3 323.481 2.280 20 30 DEEDHN C[C@@]1(F)CNCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000420261312 279167849 /nfs/dbraw/zinc/16/78/49/279167849.db2.gz KKVJOIYJRVSDCF-GFCCVEGCSA-N 0 3 302.275 2.110 20 30 DEEDHN CCOC[C@@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352800502 279731705 /nfs/dbraw/zinc/73/17/05/279731705.db2.gz QHPZSAQAWUMXGV-LBPRGKRZSA-N 0 3 302.296 2.064 20 30 DEEDHN C[C@H]1[C@H](NC(=O)NCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000355087631 280117858 /nfs/dbraw/zinc/11/78/58/280117858.db2.gz SUVAJGWBEMNDRM-GOEBONIOSA-N 0 3 314.433 2.498 20 30 DEEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)no1 ZINC000065930053 281513138 /nfs/dbraw/zinc/51/31/38/281513138.db2.gz HSSIGWPCUPRQNG-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)N(C)C1CC1 ZINC000328946995 289394604 /nfs/dbraw/zinc/39/46/04/289394604.db2.gz KCYSKBYYLGNDMY-VNHYZAJKSA-N 0 3 322.453 2.214 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(F)c1C#N ZINC000376396597 300497957 /nfs/dbraw/zinc/49/79/57/300497957.db2.gz PAPJXIUCKZWYHF-STQMWFEESA-N 0 3 301.365 2.396 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@H]1C ZINC001088966936 782087203 /nfs/dbraw/zinc/08/72/03/782087203.db2.gz JUAFHMLQTRHNDS-KGLIPLIRSA-N 0 3 302.422 2.057 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000573075387 326019157 /nfs/dbraw/zinc/01/91/57/326019157.db2.gz XAYVGCREUFAPTK-RISCZKNCSA-N 0 3 304.781 2.379 20 30 DEEDHN N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569420036 332079247 /nfs/dbraw/zinc/07/92/47/332079247.db2.gz LMRQJWWWEOOHAE-MSOLQXFVSA-N 0 3 311.429 2.456 20 30 DEEDHN C[C@H](O)[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000569435504 332082002 /nfs/dbraw/zinc/08/20/02/332082002.db2.gz CJBRCQOVZQKNMY-XIRDDKMYSA-N 0 3 300.402 2.378 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000562996938 333026233 /nfs/dbraw/zinc/02/62/33/333026233.db2.gz OIEYGEPGXPZYJW-WMLDXEAASA-N 0 3 301.434 2.205 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000497251817 333227367 /nfs/dbraw/zinc/22/73/67/333227367.db2.gz KOFZVULHAGXFQF-DYVFJYSZSA-N 0 3 321.421 2.396 20 30 DEEDHN N#CC1(CCN2CCC(N3CCNC3=O)CC2)CCCCC1 ZINC000563203195 333466370 /nfs/dbraw/zinc/46/63/70/333466370.db2.gz PMOPHQAULNKNDQ-UHFFFAOYSA-N 0 3 304.438 2.340 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000048963446 334303637 /nfs/dbraw/zinc/30/36/37/334303637.db2.gz LPMKZUZMWDWWRI-UHFFFAOYSA-N 0 3 310.850 2.405 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000354189364 336462899 /nfs/dbraw/zinc/46/28/99/336462899.db2.gz MAZDUCVYBIDRGI-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)nc(Cl)c1 ZINC000392858792 337284487 /nfs/dbraw/zinc/28/44/87/337284487.db2.gz NCPQEXLHHVCOMX-UHFFFAOYSA-N 0 3 300.189 2.073 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncncc1C#N ZINC000398174772 337308040 /nfs/dbraw/zinc/30/80/40/337308040.db2.gz VOBZLEFJGLHFRD-YOEHRIQHSA-N 0 3 307.401 2.093 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2C[C@H](C)NC[C@@H]2C)c(OC)c1 ZINC000237122844 337468282 /nfs/dbraw/zinc/46/82/82/337468282.db2.gz GFAOMRZWCLNCPO-KBPBESRZSA-N 0 3 318.417 2.011 20 30 DEEDHN N#CCSCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000046024550 337830813 /nfs/dbraw/zinc/83/08/13/337830813.db2.gz PDJIWUAVZMIIRK-OAHLLOKOSA-N 0 3 303.431 2.196 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001376294026 1159320603 /nfs/dbraw/zinc/32/06/03/1159320603.db2.gz XJELZLIHDYBMDP-HNNXBMFYSA-N 0 3 313.873 2.005 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000496293411 340002307 /nfs/dbraw/zinc/00/23/07/340002307.db2.gz NTPAVIBNPSLHIC-GFCCVEGCSA-N 0 3 317.389 2.487 20 30 DEEDHN CC(C)(C#N)CCN1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000496400888 340004659 /nfs/dbraw/zinc/00/46/59/340004659.db2.gz WNFAKFACBQNOKW-CABCVRRESA-N 0 3 323.437 2.296 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496595478 340008475 /nfs/dbraw/zinc/00/84/75/340008475.db2.gz KTQBABQHAKHLRV-MJBXVCDLSA-N 0 3 311.426 2.293 20 30 DEEDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCOCCC#N ZINC000497079452 340019782 /nfs/dbraw/zinc/01/97/82/340019782.db2.gz IHAQKRNDYILXMK-ZIAGYGMSSA-N 0 3 311.426 2.152 20 30 DEEDHN CC[C@@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000501032276 340072835 /nfs/dbraw/zinc/07/28/35/340072835.db2.gz CIGLNIMNWOIZIV-HBNTYKKESA-N 0 3 305.344 2.314 20 30 DEEDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)NC1(C#N)CCC1 ZINC000502505703 340106238 /nfs/dbraw/zinc/10/62/38/340106238.db2.gz DRJATNMCHPCACL-IJLUTSLNSA-N 0 3 315.364 2.077 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC1 ZINC000173598090 340368377 /nfs/dbraw/zinc/36/83/77/340368377.db2.gz XHFPUVKCOKCCLF-OAHLLOKOSA-N 0 3 317.458 2.364 20 30 DEEDHN COC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000543455391 341045617 /nfs/dbraw/zinc/04/56/17/341045617.db2.gz SBXTZTZUSVXNJE-MRXNPFEDSA-N 0 3 303.406 2.194 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)[C@@H]1OC ZINC000248741198 341385564 /nfs/dbraw/zinc/38/55/64/341385564.db2.gz DIBZETQHPPEARF-PQEBFOHHSA-N 0 3 323.481 2.470 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000566544530 341561500 /nfs/dbraw/zinc/56/15/00/341561500.db2.gz UUMSWVUOYSHRBK-UAGQMJEPSA-N 0 3 323.458 2.480 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000576935876 341870577 /nfs/dbraw/zinc/87/05/77/341870577.db2.gz GDMTUPPNHIGVGS-ZWKOTPCHSA-N 0 3 319.424 2.463 20 30 DEEDHN N#Cc1csc(CNCCNC(=O)c2c(F)cccc2F)c1 ZINC000177699894 341924211 /nfs/dbraw/zinc/92/42/11/341924211.db2.gz QRNJARMTLYXDHO-UHFFFAOYSA-N 0 3 321.352 2.418 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N(C)C(C)(C)C1=O)C(C)C ZINC000349253110 341967228 /nfs/dbraw/zinc/96/72/28/341967228.db2.gz OIOASOAFHPCQQR-AWEZNQCLSA-N 0 3 307.438 2.358 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)CN(C)CCC ZINC001356996755 1152205024 /nfs/dbraw/zinc/20/50/24/1152205024.db2.gz SXULUJZLFYAEKC-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncnc2C2CC2)[C@H]1C ZINC001089013690 782112832 /nfs/dbraw/zinc/11/28/32/782112832.db2.gz GSPNIQDKCUCZTP-DOMZBBRYSA-N 0 3 300.406 2.123 20 30 DEEDHN C=CCOCC(=O)NC1(CNCc2ccccn2)CCCCC1 ZINC001329803026 1148997467 /nfs/dbraw/zinc/99/74/67/1148997467.db2.gz OHGKGLKMOFYFHK-UHFFFAOYSA-N 0 3 317.433 2.193 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001358278966 1152374782 /nfs/dbraw/zinc/37/47/82/1152374782.db2.gz JBFOFTRTTIRBAV-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)COc1ccccc1 ZINC001329954727 1149022849 /nfs/dbraw/zinc/02/28/49/1149022849.db2.gz VALSQIVSXDOQTK-KRWDZBQOSA-N 0 3 314.429 2.450 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001330069125 1149045109 /nfs/dbraw/zinc/04/51/09/1149045109.db2.gz DLZAWSJORIVBGA-JYJNAYRXSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC001330074876 1149046582 /nfs/dbraw/zinc/04/65/82/1149046582.db2.gz QQZFWXBUDRMOEK-LBPRGKRZSA-N 0 3 324.371 2.218 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001330081810 1149047220 /nfs/dbraw/zinc/04/72/20/1149047220.db2.gz RGLKHQOMZACTGA-CQSZACIVSA-N 0 3 301.308 2.320 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CC(C)(F)F)C(C)(C)C1 ZINC001330230546 1149075503 /nfs/dbraw/zinc/07/55/03/1149075503.db2.gz PVGSGIHCELKZCP-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cn(C)nc1Cl)C(C)C ZINC001401398708 1161974854 /nfs/dbraw/zinc/97/48/54/1161974854.db2.gz YMTZWCCRJWUDBT-LLVKDONJSA-N 0 3 319.236 2.170 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)C(C)C)[C@@H]2C1 ZINC001330340543 1149094925 /nfs/dbraw/zinc/09/49/25/1149094925.db2.gz SOFHKDRWIJDBBQ-OKYOBFRVSA-N 0 3 310.441 2.353 20 30 DEEDHN CC(=O)N1CCCC[C@H]1CN(C)Cc1ccc(OCC#N)cc1 ZINC001089090018 782161565 /nfs/dbraw/zinc/16/15/65/782161565.db2.gz FQWDFKAAQAMBFO-KRWDZBQOSA-N 0 3 315.417 2.422 20 30 DEEDHN CC(=O)N[C@@H](C)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000360313914 534536857 /nfs/dbraw/zinc/53/68/57/534536857.db2.gz DDAOFGMRNSOAPI-AWEZNQCLSA-N 0 3 315.417 2.174 20 30 DEEDHN N#CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000371254215 534545929 /nfs/dbraw/zinc/54/59/29/534545929.db2.gz SZHWJRXTLWATKJ-FVQHAEBGSA-N 0 3 309.413 2.317 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000451601777 534607621 /nfs/dbraw/zinc/60/76/21/534607621.db2.gz VSBBKTPXAUFKGM-XKQJLSEDSA-N 0 3 302.418 2.359 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000451604519 534608491 /nfs/dbraw/zinc/60/84/91/534608491.db2.gz HFQKSEPEXKINFK-OLZOCXBDSA-N 0 3 310.781 2.220 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453372796 534610834 /nfs/dbraw/zinc/61/08/34/534610834.db2.gz VREDZUQNLDVUSY-DFBGVHRSSA-N 0 3 310.419 2.052 20 30 DEEDHN N#Cc1c(Cl)cccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000297598211 534761909 /nfs/dbraw/zinc/76/19/09/534761909.db2.gz UQDFCWTZLGNINZ-CYBMUJFWSA-N 0 3 305.809 2.370 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1CSCCN1 ZINC000237269971 526338179 /nfs/dbraw/zinc/33/81/79/526338179.db2.gz ZTOUVFVMKYSTLU-HNNXBMFYSA-N 0 3 320.458 2.305 20 30 DEEDHN CC#CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000136054003 526373636 /nfs/dbraw/zinc/37/36/36/526373636.db2.gz YFAPMRXZWYPYMA-HIFRSBDPSA-N 0 3 305.447 2.454 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@@H](CC)CCCC)CC1 ZINC000339420699 526416903 /nfs/dbraw/zinc/41/69/03/526416903.db2.gz WSUSOVBRNDNHLA-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CCOC)C(C)(C)C)CC1 ZINC000338039048 526440078 /nfs/dbraw/zinc/44/00/78/526440078.db2.gz GCQYZKZUVWKONP-OAHLLOKOSA-N 0 3 311.470 2.387 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000247661315 526594466 /nfs/dbraw/zinc/59/44/66/526594466.db2.gz XNDLDVLPFLXOPW-GVDBMIGSSA-N 0 3 321.465 2.284 20 30 DEEDHN N#Cc1ccc(CC(=O)N2CCCN(CC3CCC3)CC2)cc1 ZINC000339206265 526604729 /nfs/dbraw/zinc/60/47/29/526604729.db2.gz RMJUXOLXDNLZJS-UHFFFAOYSA-N 0 3 311.429 2.435 20 30 DEEDHN C=C(C)CN[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442788877 526626215 /nfs/dbraw/zinc/62/62/15/526626215.db2.gz JIBJXJMXVOXIKS-ZIAGYGMSSA-N 0 3 310.438 2.119 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc(C(F)F)c1 ZINC000281182916 526637138 /nfs/dbraw/zinc/63/71/38/526637138.db2.gz QSHOYUVILKDACI-JTQLQIEISA-N 0 3 317.357 2.230 20 30 DEEDHN N#Cc1ccc([C@H](NCC2CCC(F)(F)CC2)C(N)=O)cc1 ZINC000336967706 526687784 /nfs/dbraw/zinc/68/77/84/526687784.db2.gz ABEDFTXKMCNBMR-AWEZNQCLSA-N 0 3 307.344 2.500 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC(C3OCCO3)CC2)c1 ZINC000156029528 526725472 /nfs/dbraw/zinc/72/54/72/526725472.db2.gz ZZONQLXHLAKBAF-UHFFFAOYSA-N 0 3 316.401 2.412 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000295673832 526742301 /nfs/dbraw/zinc/74/23/01/526742301.db2.gz GHOKDFSHCGQJOU-OAHLLOKOSA-N 0 3 312.413 2.469 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000341416819 526955030 /nfs/dbraw/zinc/95/50/30/526955030.db2.gz IVYYWRXENDENGL-OAHLLOKOSA-N 0 3 315.417 2.347 20 30 DEEDHN C=CCS(=O)(=O)CCNC1CC(c2cc(F)cc(F)c2)C1 ZINC000368014531 526976365 /nfs/dbraw/zinc/97/63/65/526976365.db2.gz GKVKEQIMKZNFII-UHFFFAOYSA-N 0 3 315.385 2.401 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000245874875 527067332 /nfs/dbraw/zinc/06/73/32/527067332.db2.gz GTJPUSASSUELPO-YOEHRIQHSA-N 0 3 320.458 2.287 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000294581159 527080361 /nfs/dbraw/zinc/08/03/61/527080361.db2.gz VEKBQTSOHAXRSB-MRXNPFEDSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCOc1ccccc1CNCCNC(=O)[C@@H](C)CCC ZINC000292698106 527127670 /nfs/dbraw/zinc/12/76/70/527127670.db2.gz NWOBHCZXPQDLTG-HNNXBMFYSA-N 0 3 302.418 2.341 20 30 DEEDHN C=CC[C@H](C)NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000342486910 527129440 /nfs/dbraw/zinc/12/94/40/527129440.db2.gz ILDLPDINPCONAP-HNNXBMFYSA-N 0 3 319.449 2.433 20 30 DEEDHN C#CC[C@@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292537737 527163899 /nfs/dbraw/zinc/16/38/99/527163899.db2.gz JHYGOMCAZYWBJL-MJGOQNOKSA-N 0 3 311.429 2.488 20 30 DEEDHN C=C[C@@H](C)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429003661 527407022 /nfs/dbraw/zinc/40/70/22/527407022.db2.gz DCVGVLPVZJMJHN-WBVHZDCISA-N 0 3 317.433 2.151 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H](Cc1ccccc1)N(CC)CC ZINC000351264637 527414395 /nfs/dbraw/zinc/41/43/95/527414395.db2.gz AQOSDKOBMXFXMI-KRWDZBQOSA-N 0 3 324.490 2.435 20 30 DEEDHN C=C[C@@H](CO)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000352449132 527441098 /nfs/dbraw/zinc/44/10/98/527441098.db2.gz XISIYFSUKCRTBX-NSHDSACASA-N 0 3 305.296 2.273 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000425405435 527495376 /nfs/dbraw/zinc/49/53/76/527495376.db2.gz YHAXVKPQLKGDDM-IRXDYDNUSA-N 0 3 317.433 2.139 20 30 DEEDHN C=C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000340817840 527554694 /nfs/dbraw/zinc/55/46/94/527554694.db2.gz KGDJWYFIBBVRPU-AWEZNQCLSA-N 0 3 315.417 2.302 20 30 DEEDHN C=CCN(C)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000288492579 527570633 /nfs/dbraw/zinc/57/06/33/527570633.db2.gz IRKHOTRVVODBHT-UHFFFAOYSA-N 0 3 312.417 2.370 20 30 DEEDHN CCCN(C)CC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000330658606 527814495 /nfs/dbraw/zinc/81/44/95/527814495.db2.gz QNWFKUZUIUFVIK-UHFFFAOYSA-N 0 3 323.462 2.386 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000330660190 528233628 /nfs/dbraw/zinc/23/36/28/528233628.db2.gz BCASHYOGKWOJKA-LBPRGKRZSA-N 0 3 306.366 2.477 20 30 DEEDHN CCCNC(=O)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264576429 528339250 /nfs/dbraw/zinc/33/92/50/528339250.db2.gz UGSYOZFLXCGSHE-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329926250 528616450 /nfs/dbraw/zinc/61/64/50/528616450.db2.gz KMJJGPDAMIZHNT-QAPCUYQASA-N 0 3 323.481 2.424 20 30 DEEDHN CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000330407108 528826492 /nfs/dbraw/zinc/82/64/92/528826492.db2.gz ISKYVIAJFRLRBD-UONOGXRCSA-N 0 3 303.406 2.223 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)NCc2ccc(C#N)cc2)C1 ZINC000444883921 528933791 /nfs/dbraw/zinc/93/37/91/528933791.db2.gz YASKCIOEBWMYRD-UHFFFAOYSA-N 0 3 314.433 2.479 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1OC ZINC000191363962 529106679 /nfs/dbraw/zinc/10/66/79/529106679.db2.gz MLSNIISOSSMQHA-YCPHGPKFSA-N 0 3 309.454 2.224 20 30 DEEDHN CC[C@](C)(C#N)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428539448 529353163 /nfs/dbraw/zinc/35/31/63/529353163.db2.gz PXDHAVMHDMZDBQ-NVXWUHKLSA-N 0 3 301.390 2.132 20 30 DEEDHN CN1CCC2(CCCN2C(=O)COc2ccccc2C#N)CC1 ZINC000371361501 536348313 /nfs/dbraw/zinc/34/83/13/536348313.db2.gz RFKCQEMBIIDAKA-UHFFFAOYSA-N 0 3 313.401 2.024 20 30 DEEDHN CO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000451549567 536744914 /nfs/dbraw/zinc/74/49/14/536744914.db2.gz UAPQXNQWKZCDAZ-YPMHNXCESA-N 0 3 307.419 2.305 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001369741996 1149129134 /nfs/dbraw/zinc/12/91/34/1149129134.db2.gz DHBAUSNCUBEBPH-OLZOCXBDSA-N 0 3 310.829 2.064 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000835061512 649873748 /nfs/dbraw/zinc/87/37/48/649873748.db2.gz MHTJLRFRWKOQQY-ARFHVFGLSA-N 0 3 311.385 2.343 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000835065693 649874302 /nfs/dbraw/zinc/87/43/02/649874302.db2.gz RJBXOTSPPGWWSE-UONOGXRCSA-N 0 3 304.346 2.158 20 30 DEEDHN CCn1c2ccccc2nc1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000328586693 563929731 /nfs/dbraw/zinc/92/97/31/563929731.db2.gz GPWNDWLWYWBBCK-HNNXBMFYSA-N 0 3 313.405 2.034 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835339559 649908586 /nfs/dbraw/zinc/90/85/86/649908586.db2.gz FOOFJWKRSJQASH-SMDDNHRTSA-N 0 3 324.327 2.105 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cncs1 ZINC001379628802 1152658020 /nfs/dbraw/zinc/65/80/20/1152658020.db2.gz HIVSDZLGLMFYQE-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN Clc1cc(N=NC2CC[N@@H+]3CCC[C@@H]23)ccc1-c1nnn[n-]1 ZINC000826351717 609472657 /nfs/dbraw/zinc/47/26/57/609472657.db2.gz XKVUOMPYDDCPKZ-ZDUSSCGKSA-N 0 3 317.784 2.156 20 30 DEEDHN Clc1cc(N=NC2CC[N@H+]3CCC[C@@H]23)ccc1-c1nnn[n-]1 ZINC000826351717 609472658 /nfs/dbraw/zinc/47/26/58/609472658.db2.gz XKVUOMPYDDCPKZ-ZDUSSCGKSA-N 0 3 317.784 2.156 20 30 DEEDHN Clc1cc(N=NC2CC[N@@H+]3CCC[C@@H]23)ccc1-c1nn[n-]n1 ZINC000826351717 609472660 /nfs/dbraw/zinc/47/26/60/609472660.db2.gz XKVUOMPYDDCPKZ-ZDUSSCGKSA-N 0 3 317.784 2.156 20 30 DEEDHN Clc1cc(N=NC2CC[N@H+]3CCC[C@@H]23)ccc1-c1nn[n-]n1 ZINC000826351717 609472662 /nfs/dbraw/zinc/47/26/62/609472662.db2.gz XKVUOMPYDDCPKZ-ZDUSSCGKSA-N 0 3 317.784 2.156 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cncc3[nH]ccc32)C1 ZINC001023466617 625281974 /nfs/dbraw/zinc/28/19/74/625281974.db2.gz JOCXZFQCNDSKDL-AWEZNQCLSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1coc(C)n1 ZINC001025223354 625284667 /nfs/dbraw/zinc/28/46/67/625284667.db2.gz CIXKRSOJTRDGAF-DLBZAZTESA-N 0 3 315.417 2.465 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2conc2C(F)(F)F)C1 ZINC001023487404 625294917 /nfs/dbraw/zinc/29/49/17/625294917.db2.gz HRGUMSSIIVXFOB-SNVBAGLBSA-N 0 3 317.311 2.321 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181381623 625305899 /nfs/dbraw/zinc/30/58/99/625305899.db2.gz SSABGNREFWXXDK-KBPBESRZSA-N 0 3 315.417 2.155 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001023551017 625321189 /nfs/dbraw/zinc/32/11/89/625321189.db2.gz SSIVWUGHOZETJK-HNNXBMFYSA-N 0 3 301.434 2.432 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001023552237 625323117 /nfs/dbraw/zinc/32/31/17/625323117.db2.gz BNCMHFYVTGZNHJ-MRXNPFEDSA-N 0 3 301.434 2.282 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001025285376 625326256 /nfs/dbraw/zinc/32/62/56/625326256.db2.gz UIAZTBYPJOHHQG-HZPDHXFCSA-N 0 3 300.406 2.122 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1[nH]cnc1CC ZINC001025295086 625329071 /nfs/dbraw/zinc/32/90/71/625329071.db2.gz DMXXLZJAFSLYLY-JKSUJKDBSA-N 0 3 314.433 2.064 20 30 DEEDHN COc1ccc(CN2CCC[C@H]([C@H](C)NC(C)=O)C2)cc1C#N ZINC001025305507 625332333 /nfs/dbraw/zinc/33/23/33/625332333.db2.gz YLGJQFCRSWNKQD-BBRMVZONSA-N 0 3 315.417 2.303 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001023596742 625338352 /nfs/dbraw/zinc/33/83/52/625338352.db2.gz XGNAODMOFUQSGT-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)C[C@H]1C ZINC000947569151 625334317 /nfs/dbraw/zinc/33/43/17/625334317.db2.gz SSFQJJHGYIMOAG-HIFRSBDPSA-N 0 3 320.383 2.418 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2csc(C(C)C)n2)C1 ZINC001023651632 625374120 /nfs/dbraw/zinc/37/41/20/625374120.db2.gz YDPYHDLBFJSKIG-CYBMUJFWSA-N 0 3 305.447 2.342 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2snnc2C(C)C)C1 ZINC001023667967 625378909 /nfs/dbraw/zinc/37/89/09/625378909.db2.gz MQKDNPHCUULCRV-LBPRGKRZSA-N 0 3 308.451 2.289 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(F)nc2)C1 ZINC001025369765 625387509 /nfs/dbraw/zinc/38/75/09/625387509.db2.gz UACRRBILYIWWFH-DZGCQCFKSA-N 0 3 303.381 2.074 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2coc(C3CCC3)n2)C1 ZINC001023693622 625390957 /nfs/dbraw/zinc/39/09/57/625390957.db2.gz ZSFIIQTYBPXKJH-CQSZACIVSA-N 0 3 315.417 2.407 20 30 DEEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000925582250 625409712 /nfs/dbraw/zinc/40/97/12/625409712.db2.gz DNTJBJLVXZOGDH-GHMZBOCLSA-N 0 3 305.344 2.458 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccncc2C(F)(F)F)C1 ZINC000972657681 625412048 /nfs/dbraw/zinc/41/20/48/625412048.db2.gz STTOQEQEALJXJR-LLVKDONJSA-N 0 3 313.323 2.433 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001025422741 625421929 /nfs/dbraw/zinc/42/19/29/625421929.db2.gz NMHPGCMJNZSYAD-KGLIPLIRSA-N 0 3 316.449 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(F)cncc2F)C1 ZINC001025430477 625430383 /nfs/dbraw/zinc/43/03/83/625430383.db2.gz FJKYMZJOPZHVJK-QWHCGFSZSA-N 0 3 321.371 2.213 20 30 DEEDHN C=C(C)CN1CCC(Nc2nc(N)nc(C(C)(C)C)n2)CC1 ZINC000892396386 625431255 /nfs/dbraw/zinc/43/12/55/625431255.db2.gz NEUCMWKITBDCTL-UHFFFAOYSA-N 0 3 304.442 2.204 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2csc(C3CC3)n2)C1 ZINC001023772008 625432082 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CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2csc(C)n2)C1 ZINC001021655577 623909415 /nfs/dbraw/zinc/90/94/15/623909415.db2.gz COFCKEHIPVDXEG-ZBFHGGJFSA-N 0 3 317.458 2.401 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(C)oc2C)C1 ZINC001021699237 623981875 /nfs/dbraw/zinc/98/18/75/623981875.db2.gz IGJYSMTZIZFUAU-HZPDHXFCSA-N 0 3 315.417 2.241 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)no2)C1 ZINC001021715165 623995385 /nfs/dbraw/zinc/99/53/85/623995385.db2.gz DOXGIQAYQHPXHE-RYUDHWBXSA-N 0 3 309.797 2.441 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(OC)cc2)C1 ZINC001021716203 624000469 /nfs/dbraw/zinc/00/04/69/624000469.db2.gz COINKTYBGWTHBM-AEFFLSMTSA-N 0 3 312.413 2.255 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2scnc2Cl)C1 ZINC001021738789 624022431 /nfs/dbraw/zinc/02/24/31/624022431.db2.gz BNXYPJCDJUZCNP-RYUDHWBXSA-N 0 3 323.849 2.356 20 30 DEEDHN Cc1ocnc1C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971173420 624057407 /nfs/dbraw/zinc/05/74/07/624057407.db2.gz CRASPSMMAFOJBU-INIZCTEOSA-N 0 3 324.384 2.201 20 30 DEEDHN CC(C)(F)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001021768864 624060267 /nfs/dbraw/zinc/06/02/67/624060267.db2.gz ADKKOUMVGNVNJM-BETUJISGSA-N 0 3 307.344 2.182 20 30 DEEDHN CCCc1nc(CNC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC001026733570 625701907 /nfs/dbraw/zinc/70/19/07/625701907.db2.gz WOQBVDYKMPGYGX-STQMWFEESA-N 0 3 320.462 2.193 20 30 DEEDHN C[C@@H](C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1)C1CC1 ZINC001021936234 624141917 /nfs/dbraw/zinc/14/19/17/624141917.db2.gz JXTKQYVPBJPRMV-LYRGGWFBSA-N 0 3 315.392 2.480 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000971500877 624175784 /nfs/dbraw/zinc/17/57/84/624175784.db2.gz PLBKLPZXQDJXIQ-LSDHHAIUSA-N 0 3 319.355 2.246 20 30 DEEDHN COc1cccc(CN(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1 ZINC000971508864 624177879 /nfs/dbraw/zinc/17/78/79/624177879.db2.gz PIBIQFRYPYMFMH-QGZVFWFLSA-N 0 3 312.413 2.141 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(C(F)(F)F)CCOCC2)C1 ZINC000971553755 624186387 /nfs/dbraw/zinc/18/63/87/624186387.db2.gz ZVSPQYKUHKZEIZ-GFCCVEGCSA-N 0 3 320.355 2.064 20 30 DEEDHN CC1(C(=O)N[C@H]2C[C@@H](NCc3ccc(C#N)cc3F)C2)CC1 ZINC001022116624 624203991 /nfs/dbraw/zinc/20/39/91/624203991.db2.gz HLXWOHDCDMLGKM-OKILXGFUSA-N 0 3 301.365 2.234 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cn3cc(C)nc3s2)C1 ZINC000971678509 624501513 /nfs/dbraw/zinc/50/15/13/624501513.db2.gz NFCGMQCJESUHIW-GFCCVEGCSA-N 0 3 304.419 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001022216701 624506845 /nfs/dbraw/zinc/50/68/45/624506845.db2.gz KUNRXNLWHUOQAH-DTORHVGOSA-N 0 3 317.220 2.228 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)nc3sccn32)C1 ZINC000971786763 624547475 /nfs/dbraw/zinc/54/74/75/624547475.db2.gz IOMZBOLECDDWBN-LBPRGKRZSA-N 0 3 304.419 2.037 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)ccc(OC)c2F)C1 ZINC001027655176 634394873 /nfs/dbraw/zinc/39/48/73/634394873.db2.gz NKODNMUBEOKRKT-GFCCVEGCSA-N 0 3 322.355 2.143 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001022412927 624641925 /nfs/dbraw/zinc/64/19/25/624641925.db2.gz JCWHLVIMVRWXQS-BETUJISGSA-N 0 3 318.808 2.474 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001027659319 634398392 /nfs/dbraw/zinc/39/83/92/634398392.db2.gz JRUKIHNGVKBCLP-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001027659321 634398609 /nfs/dbraw/zinc/39/86/09/634398609.db2.gz JRUKIHNGVKBCLP-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001022569959 624741306 /nfs/dbraw/zinc/74/13/06/624741306.db2.gz KRVIKQUQHJSMPL-PHIMTYICSA-N 0 3 313.195 2.347 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)C)C[C@@H]1C ZINC000947488651 624800609 /nfs/dbraw/zinc/80/06/09/624800609.db2.gz QPAWMQOBANHJTL-KBPBESRZSA-N 0 3 302.422 2.139 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3conc3CC)C2)C1 ZINC001022674502 624813023 /nfs/dbraw/zinc/81/30/23/624813023.db2.gz BVZIFSNIEHKHCY-OKILXGFUSA-N 0 3 303.406 2.330 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC000972071777 624818391 /nfs/dbraw/zinc/81/83/91/624818391.db2.gz BBDPHFTZRWYIBS-MRXNPFEDSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC000972072944 624819307 /nfs/dbraw/zinc/81/93/07/624819307.db2.gz MQVRGDUBWZSKBZ-HNNXBMFYSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001022711012 624861760 /nfs/dbraw/zinc/86/17/60/624861760.db2.gz QVHOQIWOMHNHHV-OKILXGFUSA-N 0 3 318.808 2.246 20 30 DEEDHN O=C(NCCNCc1ccc(Cl)c(F)c1)C1N=CC=CC1=O ZINC000255508045 624879511 /nfs/dbraw/zinc/87/95/11/624879511.db2.gz SXMUWZNLVLSVAC-CCEZHUSRSA-N 0 3 323.755 2.095 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000972306101 624921347 /nfs/dbraw/zinc/92/13/47/624921347.db2.gz ZNDPGMRYFMNYDO-SECBINFHSA-N 0 3 318.755 2.246 20 30 DEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)C(=O)c1cccc(F)c1 ZINC000177600575 625026381 /nfs/dbraw/zinc/02/63/81/625026381.db2.gz LHCMJCQEFRWZAH-HZMBPMFUSA-N 0 3 316.332 2.022 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001024756882 625039225 /nfs/dbraw/zinc/03/92/25/625039225.db2.gz WRAODCCOYKALBR-INIZCTEOSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001024826681 625067546 /nfs/dbraw/zinc/06/75/46/625067546.db2.gz WVSZSBNZCJHMPI-DOTOQJQBSA-N 0 3 312.413 2.157 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001024823885 625067971 /nfs/dbraw/zinc/06/79/71/625067971.db2.gz FODICIKRNUWLNN-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001024829095 625071219 /nfs/dbraw/zinc/07/12/19/625071219.db2.gz UVBWXVIHHHOLKD-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN Cc1cccnc1CNC[C@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001024902744 625101980 /nfs/dbraw/zinc/10/19/80/625101980.db2.gz ZNQDXNFHYQIVCH-HUUCEWRRSA-N 0 3 300.406 2.020 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001022936224 625109398 /nfs/dbraw/zinc/10/93/98/625109398.db2.gz FJNLASWUQRNOPL-GASCZTMLSA-N 0 3 319.836 2.282 20 30 DEEDHN C=CCN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001027679557 634435493 /nfs/dbraw/zinc/43/54/93/634435493.db2.gz YXWBLBHUTUPWOP-INIZCTEOSA-N 0 3 315.417 2.042 20 30 DEEDHN Cc1ncsc1CNC[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001024959574 625119533 /nfs/dbraw/zinc/11/95/33/625119533.db2.gz DGJFDTKPIGRVND-OAHLLOKOSA-N 0 3 317.458 2.336 20 30 DEEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)OC1 ZINC000892550371 625140376 /nfs/dbraw/zinc/14/03/76/625140376.db2.gz HNMDLBNZGJSHIB-QWHCGFSZSA-N 0 3 315.373 2.324 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001023074786 625149858 /nfs/dbraw/zinc/14/98/58/625149858.db2.gz LKYFHBSXKUVPCZ-GASCZTMLSA-N 0 3 308.809 2.436 20 30 DEEDHN CC[C@H](F)CN1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296434 625216094 /nfs/dbraw/zinc/21/60/94/625216094.db2.gz XDFGQYFFCPFUHW-OCCSQVGLSA-N 0 3 306.385 2.076 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001023378764 625246320 /nfs/dbraw/zinc/24/63/20/625246320.db2.gz FBHMMCFQHCMHBC-BPQIPLTHSA-N 0 3 311.429 2.037 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(F)cccc2OC)C1 ZINC001023383613 625247113 /nfs/dbraw/zinc/24/71/13/625247113.db2.gz ZTRIDEBLVJRTHR-CQSZACIVSA-N 0 3 318.392 2.299 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cncnc1C ZINC001025205235 625260925 /nfs/dbraw/zinc/26/09/25/625260925.db2.gz SVKZZTDLTIVTPR-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001025214535 625273782 /nfs/dbraw/zinc/27/37/82/625273782.db2.gz BCXPUAXWMJGVFV-MSOLQXFVSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cncc(C)c1 ZINC001025214537 625273899 /nfs/dbraw/zinc/27/38/99/625273899.db2.gz BCXPUAXWMJGVFV-ROUUACIJSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ncccc1C ZINC001025220865 625278246 /nfs/dbraw/zinc/27/82/46/625278246.db2.gz KHOWRECKMPYYSV-SJORKVTESA-N 0 3 311.429 2.482 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001024452172 625784332 /nfs/dbraw/zinc/78/43/32/625784332.db2.gz IIUJDLMMURBMQC-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001024466403 625797798 /nfs/dbraw/zinc/79/77/98/625797798.db2.gz DIXGPCVGZRBHED-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001024477183 625803053 /nfs/dbraw/zinc/80/30/53/625803053.db2.gz KKUJQAJDHOOUJY-GFCCVEGCSA-N 0 3 322.840 2.233 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001024488099 625811347 /nfs/dbraw/zinc/81/13/47/625811347.db2.gz VJRFMOQBTUEPIG-RBSFLKMASA-N 0 3 302.422 2.060 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001024527273 625842857 /nfs/dbraw/zinc/84/28/57/625842857.db2.gz QCMVZQPTDKVBNI-AWEZNQCLSA-N 0 3 316.449 2.315 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001024534773 625852905 /nfs/dbraw/zinc/85/29/05/625852905.db2.gz LXVNFPCHKIMJFO-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001024580920 625903156 /nfs/dbraw/zinc/90/31/56/625903156.db2.gz AMIRFHMCNDKTGW-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCc2sccc2C1=O ZINC000892498013 625903691 /nfs/dbraw/zinc/90/36/91/625903691.db2.gz CIJJXAGLKJRJQH-ZYHUDNBSSA-N 0 3 318.398 2.117 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3[nH]ccc3-c3ccccc3)[C@@H]2C1 ZINC000978954202 634463655 /nfs/dbraw/zinc/46/36/55/634463655.db2.gz VUAQRZBHZGZIBS-NNZMDNLPSA-N 0 3 319.408 2.223 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001024678323 625962699 /nfs/dbraw/zinc/96/26/99/625962699.db2.gz ORLKOXWWODJARF-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(-c4ccoc4)c3)[C@@H]2C1 ZINC000978971000 634467673 /nfs/dbraw/zinc/46/76/73/634467673.db2.gz PZRFAUSMXBRFGM-LDLYASANSA-N 0 3 320.392 2.487 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(F)cc3Cl)[C@@H]2C1 ZINC000979042473 634483888 /nfs/dbraw/zinc/48/38/88/634483888.db2.gz SWGQPEGRMNOKOE-QKDCVEJESA-N 0 3 320.795 2.410 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2noc3c2CCCC3)C1 ZINC000999455110 634595407 /nfs/dbraw/zinc/59/54/07/634595407.db2.gz ZXAZQNLVZVGPIX-UHFFFAOYSA-N 0 3 323.824 2.499 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC000999657336 634652563 /nfs/dbraw/zinc/65/25/63/634652563.db2.gz IBUVSBNSSQXGHN-UHFFFAOYSA-N 0 3 322.840 2.238 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC000999897906 634695350 /nfs/dbraw/zinc/69/53/50/634695350.db2.gz GHSACWJZBCOBIB-CYBMUJFWSA-N 0 3 319.453 2.221 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H](NCc3cccnc3)C2)cc1 ZINC000999874099 634698064 /nfs/dbraw/zinc/69/80/64/634698064.db2.gz XKIVORMIUZUYHG-IBGZPJMESA-N 0 3 319.408 2.457 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000999904651 634700860 /nfs/dbraw/zinc/70/08/60/634700860.db2.gz RKGJSQZLYXKVAF-UHOFOFEASA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC001000079144 634734783 /nfs/dbraw/zinc/73/47/83/634734783.db2.gz CJXPQXYHCVIWKD-UHFFFAOYSA-N 0 3 305.809 2.276 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccnc(F)c3)CC2)CC1 ZINC001000107209 634748238 /nfs/dbraw/zinc/74/82/38/634748238.db2.gz YFQGZBNJAUMJDB-UHFFFAOYSA-N 0 3 315.392 2.218 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c3ccccc32)C[C@H]1C ZINC000947949370 634758329 /nfs/dbraw/zinc/75/83/29/634758329.db2.gz USJFBIOYWULMDF-ZIAGYGMSSA-N 0 3 312.417 2.342 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCO[C@H]3C(C)C)CC2)CC1 ZINC001000172775 634776553 /nfs/dbraw/zinc/77/65/53/634776553.db2.gz POLWUXYJBJOIBC-SJORKVTESA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc(C)c(C)n3)CC2)CC1 ZINC001000208757 634792087 /nfs/dbraw/zinc/79/20/87/634792087.db2.gz FXHJOWIILDJCCB-UHFFFAOYSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3occ4c3CCC4)CC2)CC1 ZINC001000225341 634802660 /nfs/dbraw/zinc/80/26/60/634802660.db2.gz YLDDNZMDHSSNSU-UHFFFAOYSA-N 0 3 312.413 2.376 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccn(C)c3CC)CC2)CC1 ZINC001000263129 634829705 /nfs/dbraw/zinc/82/97/05/634829705.db2.gz FZMSGYRDNMWFPX-UHFFFAOYSA-N 0 3 313.445 2.195 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000836339860 650081163 /nfs/dbraw/zinc/08/11/63/650081163.db2.gz SPVXASNJDGNJNC-JKSUJKDBSA-N 0 3 301.434 2.433 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001024702667 632933042 /nfs/dbraw/zinc/93/30/42/632933042.db2.gz ZEDHMLNXWKQQEU-SFHVURJKSA-N 0 3 312.413 2.324 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001024722423 632947190 /nfs/dbraw/zinc/94/71/90/632947190.db2.gz RXEAUOJWMIJEPY-HNNXBMFYSA-N 0 3 304.438 2.143 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2csc(C3CC3)n2)[C@H](C)C1 ZINC000945639034 632967368 /nfs/dbraw/zinc/96/73/68/632967368.db2.gz BJYAWZQWGFTLJD-OCCSQVGLSA-N 0 3 317.458 2.484 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974581965 633163476 /nfs/dbraw/zinc/16/34/76/633163476.db2.gz IRAZWHCJFXHRBE-CJNGLKHVSA-N 0 3 316.449 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C(C)(C)C1 ZINC000974602531 633167895 /nfs/dbraw/zinc/16/78/95/633167895.db2.gz LWECRICEVZMLOE-XHSDSOJGSA-N 0 3 308.466 2.450 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnn2[C@H](C)CC)C(C)(C)C1 ZINC000974636547 633196812 /nfs/dbraw/zinc/19/68/12/633196812.db2.gz SODYEYHSETVXIR-ZBFHGGJFSA-N 0 3 316.449 2.318 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000996228659 633216149 /nfs/dbraw/zinc/21/61/49/633216149.db2.gz RMFGCZGHEWMCJP-CRAIPNDOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C(C)(C)C1 ZINC000974671868 633219725 /nfs/dbraw/zinc/21/97/25/633219725.db2.gz FLSQYDZHHNCQNB-LLVKDONJSA-N 0 3 310.829 2.252 20 30 DEEDHN Cc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733679192 633263649 /nfs/dbraw/zinc/26/36/49/633263649.db2.gz UZHGQTQTOKMZSY-SNVBAGLBSA-N 0 3 316.748 2.343 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2COC)C(C)(C)C1 ZINC000974767905 633292577 /nfs/dbraw/zinc/29/25/77/633292577.db2.gz RCHJTBQSGXBFCE-KRWDZBQOSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC001008680595 633293188 /nfs/dbraw/zinc/29/31/88/633293188.db2.gz HHKXQJNBBRKMJD-CQSZACIVSA-N 0 3 306.356 2.111 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996627004 633319285 /nfs/dbraw/zinc/31/92/85/633319285.db2.gz BGVUSUYOGCFCND-UHFFFAOYSA-N 0 3 324.856 2.279 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C[C@H]2CCC(C)(C)CO2)C(C)(C)C1 ZINC000974847452 633330776 /nfs/dbraw/zinc/33/07/76/633330776.db2.gz NIDPHYBOWLNWDX-CVEARBPZSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C1 ZINC000974847252 633331255 /nfs/dbraw/zinc/33/12/55/633331255.db2.gz OQFQPCGGYOZKEE-PMPSAXMXSA-N 0 3 306.450 2.204 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001026988206 633334145 /nfs/dbraw/zinc/33/41/45/633334145.db2.gz AGIKTMMAZGVDTK-OAHLLOKOSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000974959255 633382818 /nfs/dbraw/zinc/38/28/18/633382818.db2.gz DDGSMFCHHKBKFR-INIZCTEOSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(F)c2F)C(C)(C)C1 ZINC000974962310 633383261 /nfs/dbraw/zinc/38/32/61/633383261.db2.gz KIXQHGLHWHGLPO-CQSZACIVSA-N 0 3 306.356 2.428 20 30 DEEDHN C[C@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124535324 633390173 /nfs/dbraw/zinc/39/01/73/633390173.db2.gz BFZNRMRAJGSUNF-FZMZJTMJSA-N 0 3 320.776 2.439 20 30 DEEDHN Cc1c[nH]cc1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001027214851 633499605 /nfs/dbraw/zinc/49/96/05/633499605.db2.gz YITYQAHCFUTXRI-OAHLLOKOSA-N 0 3 322.412 2.447 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccnn2C2CCC2)CC1 ZINC000997094743 633573612 /nfs/dbraw/zinc/57/36/12/633573612.db2.gz YINKMTYAMVBGPG-CQSZACIVSA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccn(C(F)F)n2)CC1 ZINC000997114342 633592872 /nfs/dbraw/zinc/59/28/72/633592872.db2.gz HMHLWDGOUBFBQL-GFCCVEGCSA-N 0 3 324.375 2.132 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC001027317297 633643518 /nfs/dbraw/zinc/64/35/18/633643518.db2.gz SROBQZYFXFLPAH-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN Cc1nc(CCN(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001027336629 633663867 /nfs/dbraw/zinc/66/38/67/633663867.db2.gz SKQAHTZCLMRZSG-DOMZBBRYSA-N 0 3 320.462 2.077 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ncoc2C(C)(C)C)CC1 ZINC000997387439 633751728 /nfs/dbraw/zinc/75/17/28/633751728.db2.gz MUHFCCBEYGURLW-CYBMUJFWSA-N 0 3 317.433 2.436 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnn(C(C)C)c2)CC1 ZINC000997388637 633751978 /nfs/dbraw/zinc/75/19/78/633751978.db2.gz CHHVOWSTXKBXBM-OAHLLOKOSA-N 0 3 316.449 2.318 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(F)cc2F)CC1 ZINC000997411334 633757625 /nfs/dbraw/zinc/75/76/25/633757625.db2.gz BFORVEBUAISLSH-GFCCVEGCSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001027432498 633779137 /nfs/dbraw/zinc/77/91/37/633779137.db2.gz FBIBKFPLYFGXMD-OAHLLOKOSA-N 0 3 316.449 2.116 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1 ZINC001027434497 633783202 /nfs/dbraw/zinc/78/32/02/633783202.db2.gz RMBCVWNTPZRVLY-MRXNPFEDSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1 ZINC001027449548 633802367 /nfs/dbraw/zinc/80/23/67/633802367.db2.gz BGBYHTRNMVMQBA-CQSZACIVSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnn2-c2ccccc2)C1 ZINC001027466786 633836209 /nfs/dbraw/zinc/83/62/09/633836209.db2.gz RMAINYNPVVSKHP-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001027477237 633859388 /nfs/dbraw/zinc/85/93/88/633859388.db2.gz DDZGQGNYUSKMBW-AWEZNQCLSA-N 0 3 310.401 2.041 20 30 DEEDHN N#Cc1ccccc1CNCC1CCN(C(=O)c2ccon2)CC1 ZINC000997570501 633878429 /nfs/dbraw/zinc/87/84/29/633878429.db2.gz LSSYLWSFCFHTMV-UHFFFAOYSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2conc2C2CC2)CC1 ZINC000997744908 633959943 /nfs/dbraw/zinc/95/99/43/633959943.db2.gz NEQFRVQPKQQMDO-LBPRGKRZSA-N 0 3 301.390 2.016 20 30 DEEDHN C=C(C)CCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC000977421950 633980869 /nfs/dbraw/zinc/98/08/69/633980869.db2.gz QAGGWOVUFNHOSU-INIZCTEOSA-N 0 3 317.433 2.090 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(CC)CC1(C)C ZINC000977441923 633997414 /nfs/dbraw/zinc/99/74/14/633997414.db2.gz UPIGLTFTNKTDFO-CQSZACIVSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)cc(F)c2)C(C)(C)C1 ZINC000977554311 634037227 /nfs/dbraw/zinc/03/72/27/634037227.db2.gz SSZCHGJEOOSLBO-HNNXBMFYSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccnc2N(C)C)C(C)(C)C1 ZINC000977574643 634044017 /nfs/dbraw/zinc/04/40/17/634044017.db2.gz HPTLBKWSGJFNAV-HNNXBMFYSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3nccnc3c2)C(C)(C)C1 ZINC000977576781 634046072 /nfs/dbraw/zinc/04/60/72/634046072.db2.gz OCZSLJCPPBHPPT-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccccc2F)C(C)(C)C1 ZINC000977562395 634047007 /nfs/dbraw/zinc/04/70/07/634047007.db2.gz QAJCGROSYXMIBJ-INIZCTEOSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2OCC)[C@@H](C)C1 ZINC000946418321 634048004 /nfs/dbraw/zinc/04/80/04/634048004.db2.gz CAMOMOVUMOWDKE-KBPBESRZSA-N 0 3 303.406 2.107 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cnc(C)cn2)CC1 ZINC000997931284 634065058 /nfs/dbraw/zinc/06/50/58/634065058.db2.gz XRDAERZPDJJUPD-MRXNPFEDSA-N 0 3 314.433 2.125 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cncnc2C)CC1 ZINC000997937610 634069529 /nfs/dbraw/zinc/06/95/29/634069529.db2.gz AQRGEAJRSXPSBI-MRXNPFEDSA-N 0 3 314.433 2.125 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000977635901 634071131 /nfs/dbraw/zinc/07/11/31/634071131.db2.gz BDVFDMRBAWIYLV-OAHLLOKOSA-N 0 3 304.459 2.449 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(OC)no2)CC1 ZINC000997985832 634095242 /nfs/dbraw/zinc/09/52/42/634095242.db2.gz JRDBQZVOGPYAQB-CQSZACIVSA-N 0 3 319.405 2.023 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OC)cc2C)C1 ZINC001027553925 634116322 /nfs/dbraw/zinc/11/63/22/634116322.db2.gz GWBZLTYTLOYTLR-OAHLLOKOSA-N 0 3 300.402 2.173 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(CNCc3ccn(C)n3)CC2)C1 ZINC000998061415 634127913 /nfs/dbraw/zinc/12/79/13/634127913.db2.gz QPLNBFHSSXQUDE-UHFFFAOYSA-N 0 3 316.449 2.105 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2occ3c2CCC3)CC1 ZINC000948647728 634153626 /nfs/dbraw/zinc/15/36/26/634153626.db2.gz LIVHAAFBIWHHOQ-HNNXBMFYSA-N 0 3 300.402 2.328 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2oncc2C)CC1 ZINC000998167662 634157762 /nfs/dbraw/zinc/15/77/62/634157762.db2.gz ZAJPKKUWVGANGA-HNNXBMFYSA-N 0 3 303.406 2.323 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnn(C(C)C)c2)CC1 ZINC000998171166 634159867 /nfs/dbraw/zinc/15/98/67/634159867.db2.gz AOFKXIXSWBVUJT-KRWDZBQOSA-N 0 3 316.449 2.414 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cscn2)CC[C@@H]1C(F)(F)F ZINC000998223966 634173772 /nfs/dbraw/zinc/17/37/72/634173772.db2.gz APHCAURZDUDLSO-VHSXEESVSA-N 0 3 319.352 2.312 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)C4CC=CC4)[C@@H]3C2)c1 ZINC000977927033 634175222 /nfs/dbraw/zinc/17/52/22/634175222.db2.gz CCVHJAWOPUSSFN-LDLYASANSA-N 0 3 321.424 2.318 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccc[nH]2)CC[C@@H]1C(F)(F)F ZINC000998232194 634179012 /nfs/dbraw/zinc/17/90/12/634179012.db2.gz MKEZQQBTOXUDGC-CMPLNLGQSA-N 0 3 301.312 2.183 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@H]1C(F)(F)F ZINC000998238850 634183171 /nfs/dbraw/zinc/18/31/71/634183171.db2.gz PQWLHXYZDYAIFD-MNOVXSKESA-N 0 3 320.355 2.157 20 30 DEEDHN C=C(C)CN[C@H]1CN(C(=O)c2cocn2)CC[C@@H]1C(F)(F)F ZINC000998241986 634184027 /nfs/dbraw/zinc/18/40/27/634184027.db2.gz ZQUPKFVJRLRSKI-QWRGUYRKSA-N 0 3 317.311 2.233 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cc(F)c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998277387 634196802 /nfs/dbraw/zinc/19/68/02/634196802.db2.gz CUHPSUXQYZPICR-JQWIXIFHSA-N 0 3 319.302 2.322 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2conc2C)CC[C@H]1C(F)(F)F ZINC000998287236 634200397 /nfs/dbraw/zinc/20/03/97/634200397.db2.gz NQWTWXPTTAAPIJ-VXGBXAGGSA-N 0 3 317.311 2.152 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3sccc3C)[C@@H]2C1 ZINC000978131153 634223364 /nfs/dbraw/zinc/22/33/64/634223364.db2.gz OUBWSWPRLKMLAW-QCODTGAPSA-N 0 3 314.454 2.087 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)CC2CC2)C1 ZINC000998351590 634228882 /nfs/dbraw/zinc/22/88/82/634228882.db2.gz GACBIBMQBDYVGJ-UHFFFAOYSA-N 0 3 301.228 2.274 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)CC1 ZINC001000273234 634832254 /nfs/dbraw/zinc/83/22/54/634832254.db2.gz PWYJFHQCVGHWSO-HZPDHXFCSA-N 0 3 312.413 2.377 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1 ZINC001027637955 634365174 /nfs/dbraw/zinc/36/51/74/634365174.db2.gz RTSHJSLLOXRYQF-MRXNPFEDSA-N 0 3 320.383 2.453 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3nc(C)c[nH]3)C[C@H]2C1 ZINC000980183625 634882252 /nfs/dbraw/zinc/88/22/52/634882252.db2.gz ILWHENFOLXOAEG-MELADBBJSA-N 0 3 322.840 2.301 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001027903430 634923442 /nfs/dbraw/zinc/92/34/42/634923442.db2.gz HIVOKPJFMYSFRI-LBPRGKRZSA-N 0 3 310.829 2.327 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC000980270589 634924381 /nfs/dbraw/zinc/92/43/81/634924381.db2.gz QETBCHKNBSMRPW-MJGOQNOKSA-N 0 3 314.429 2.411 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H]2OCc3ccccc32)C1 ZINC000980287022 634930592 /nfs/dbraw/zinc/93/05/92/634930592.db2.gz UKZXAWTWKKLAJZ-DOTOQJQBSA-N 0 3 300.402 2.367 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC000980334282 634958550 /nfs/dbraw/zinc/95/85/50/634958550.db2.gz SKXFDPWXMKHFLK-OAHLLOKOSA-N 0 3 318.417 2.345 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000980475433 635015234 /nfs/dbraw/zinc/01/52/34/635015234.db2.gz FYSQOKKGJOLHLM-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(N(C)CC)cc2)C1 ZINC000980537345 635037193 /nfs/dbraw/zinc/03/71/93/635037193.db2.gz PXEFKPUQNLQRFE-QGZVFWFLSA-N 0 3 301.434 2.475 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001027966331 635104446 /nfs/dbraw/zinc/10/44/46/635104446.db2.gz NJNHWJSLJVCIQY-GJZGRUSLSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCO[C@@H](CC)C3)CC2)CC1 ZINC001000305450 635136290 /nfs/dbraw/zinc/13/62/90/635136290.db2.gz JETAFTAHKYHXTA-WBVHZDCISA-N 0 3 318.461 2.186 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCN(CCCc2cccc(F)c2)CC1 ZINC000980850321 635189049 /nfs/dbraw/zinc/18/90/49/635189049.db2.gz SGZXSPAMVJWNLU-HNNXBMFYSA-N 0 3 317.408 2.452 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCCN(CCc3ccccc3)CC2)c1 ZINC000980917633 635234388 /nfs/dbraw/zinc/23/43/88/635234388.db2.gz UBWNXLSLCWREHB-UHFFFAOYSA-N 0 3 322.412 2.277 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000893626394 635276902 /nfs/dbraw/zinc/27/69/02/635276902.db2.gz KOYGXSFSIQMUDS-IAQYHMDHSA-N 0 3 318.446 2.244 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC000981215181 635373426 /nfs/dbraw/zinc/37/34/26/635373426.db2.gz QWJQHHGFZFJEPL-UHFFFAOYSA-N 0 3 306.356 2.065 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2coc(=O)c3ccccc23)CC1 ZINC001001032848 635392358 /nfs/dbraw/zinc/39/23/58/635392358.db2.gz WENQATZBWMFKHR-UHFFFAOYSA-N 0 3 324.380 2.341 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC001001087523 635403690 /nfs/dbraw/zinc/40/36/90/635403690.db2.gz PQIDOQPGMGPKCA-QGZVFWFLSA-N 0 3 300.377 2.400 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nc(C3CC3)oc2C)CC1 ZINC001001319865 635461600 /nfs/dbraw/zinc/46/16/00/635461600.db2.gz RVSJTWPJHKLSGR-UHFFFAOYSA-N 0 3 301.390 2.408 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000981480798 635493781 /nfs/dbraw/zinc/49/37/81/635493781.db2.gz QIZNDIIYQBTVIW-AWEZNQCLSA-N 0 3 316.449 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0 3 324.856 2.494 20 30 DEEDHN N#CCc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000895091635 637544413 /nfs/dbraw/zinc/54/44/13/637544413.db2.gz XJSNTGAARWVCHD-HZPDHXFCSA-N 0 3 304.365 2.476 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000838623197 637613693 /nfs/dbraw/zinc/61/36/93/637613693.db2.gz UNIWMQYUIFZLAE-UHFFFAOYSA-N 0 3 316.405 2.112 20 30 DEEDHN C=CCONC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000838714812 637637635 /nfs/dbraw/zinc/63/76/35/637637635.db2.gz NRFHPTAJFWBRDJ-OAHLLOKOSA-N 0 3 303.406 2.268 20 30 DEEDHN C#Cc1cccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000838719310 637638550 /nfs/dbraw/zinc/63/85/50/637638550.db2.gz GGWSSBORLLQQLI-HNNXBMFYSA-N 0 3 311.429 2.294 20 30 DEEDHN C#CC[C@H](N[C@@H]1C[C@H](C)CN(Cc2ccccc2)C1)C(=O)OC ZINC000839169549 637808827 /nfs/dbraw/zinc/80/88/27/637808827.db2.gz TUGHUGADWDLWAU-JQHSSLGASA-N 0 3 314.429 2.052 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000741465586 637984757 /nfs/dbraw/zinc/98/47/57/637984757.db2.gz WKLNFIYQUZIRTL-BDLODKHMSA-N 0 3 316.405 2.124 20 30 DEEDHN C[C@H]1CCCN1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000742238599 638052235 /nfs/dbraw/zinc/05/22/35/638052235.db2.gz FSVLSGWOCMCKHD-AWEZNQCLSA-N 0 3 317.458 2.392 20 30 DEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000841178327 650448447 /nfs/dbraw/zinc/44/84/47/650448447.db2.gz GLYSLSRECWJDCV-AGIUHOORSA-N 0 3 302.378 2.192 20 30 DEEDHN N#Cc1cnn2cc(CNC[C@H]3CCCC4(CCC4)O3)cnc12 ZINC000896917578 639074862 /nfs/dbraw/zinc/07/48/62/639074862.db2.gz CXVDFLOXFCCBAB-OAHLLOKOSA-N 0 3 311.389 2.182 20 30 DEEDHN CCOC(=O)[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000896961593 639100084 /nfs/dbraw/zinc/10/00/84/639100084.db2.gz AEWLEJUGJCLRGB-HIFRSBDPSA-N 0 3 302.374 2.362 20 30 DEEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001029614414 639343301 /nfs/dbraw/zinc/34/33/01/639343301.db2.gz RHIKVLCHBHFOMY-JTQLQIEISA-N 0 3 313.373 2.165 20 30 DEEDHN N#Cc1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)s1 ZINC000754082027 639383821 /nfs/dbraw/zinc/38/38/21/639383821.db2.gz QUOVGSGFVABUPA-XJKSGUPXSA-N 0 3 302.399 2.194 20 30 DEEDHN C#CC(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000754087916 639385447 /nfs/dbraw/zinc/38/54/47/639385447.db2.gz VOFJMLVYQGNTKY-INIZCTEOSA-N 0 3 308.385 2.210 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](CN(C)Cc2ccc(Cl)nc2)C1 ZINC001029679261 639415050 /nfs/dbraw/zinc/41/50/50/639415050.db2.gz YONXIULVNLQRKG-TZMCWYRMSA-N 0 3 320.824 2.175 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001029799024 639485959 /nfs/dbraw/zinc/48/59/59/639485959.db2.gz QENTWOHKCRDAKN-HNNXBMFYSA-N 0 3 318.465 2.303 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(N(C)Cc2cncn2C)CC1 ZINC000985620378 639545661 /nfs/dbraw/zinc/54/56/61/639545661.db2.gz YOBUKIPYCWQSPP-GOSISDBHSA-N 0 3 318.465 2.445 20 30 DEEDHN CN(CCC#N)c1ccc(CN[C@@H](CO)CC(F)(F)F)cc1 ZINC000756995405 639726128 /nfs/dbraw/zinc/72/61/28/639726128.db2.gz MUINQPNMWMJLDA-CYBMUJFWSA-N 0 3 315.339 2.439 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1ccc(OCC)cc1)[C@H]1CCCO1 ZINC000839562834 639764318 /nfs/dbraw/zinc/76/43/18/639764318.db2.gz DGEOELDJJXBSKL-DLBZAZTESA-N 0 3 316.401 2.184 20 30 DEEDHN C=C(C)[C@@H](CO)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000839639979 639788551 /nfs/dbraw/zinc/78/85/51/639788551.db2.gz KOZNXKDYFHAIEJ-ZIAGYGMSSA-N 0 3 314.223 2.351 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccnc(Cl)c2)CCN1C(=O)C#CC1CC1 ZINC000986276388 639867240 /nfs/dbraw/zinc/86/72/40/639867240.db2.gz IDHUCSWHQJWYRP-WFASDCNBSA-N 0 3 317.820 2.227 20 30 DEEDHN Cc1ccc(C)c(S(=O)(=O)NN=C2CCCN(C)CC2)c1 ZINC000758094903 639913751 /nfs/dbraw/zinc/91/37/51/639913751.db2.gz STDNTHMZZJADET-UHFFFAOYSA-N 0 3 309.435 2.053 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CN(C)Cc2cncn2C)CC1 ZINC001029983933 639957020 /nfs/dbraw/zinc/95/70/20/639957020.db2.gz TWDFDPILOAOYSN-UHFFFAOYSA-N 0 3 318.465 2.303 20 30 DEEDHN CCC(=O)N1C[C@H](NCc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000987657287 640247930 /nfs/dbraw/zinc/24/79/30/640247930.db2.gz PISRXTFVAQKPMU-IUODEOHRSA-N 0 3 301.390 2.056 20 30 DEEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)NCc1ccccc1)C(C)C ZINC000761040183 640257238 /nfs/dbraw/zinc/25/72/38/640257238.db2.gz VYVGGDFLDYZXAI-WBVHZDCISA-N 0 3 316.401 2.463 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)[C@@H](C)N(C3CCC3)C2=O)CC1 ZINC000761257025 640291010 /nfs/dbraw/zinc/29/10/10/640291010.db2.gz PDDXHFZZQIFGDO-CYBMUJFWSA-N 0 3 305.422 2.232 20 30 DEEDHN CSCC(=O)N1C[C@@H](NCc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000987966419 640321080 /nfs/dbraw/zinc/32/10/80/640321080.db2.gz BKYIPFIKRPJPOU-RISCZKNCSA-N 0 3 321.421 2.139 20 30 DEEDHN CC(C)C(=O)N1C[C@@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000988129920 640350777 /nfs/dbraw/zinc/35/07/77/640350777.db2.gz BLLHYYGMGVGBLG-WFASDCNBSA-N 0 3 303.381 2.432 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)c1ccon1 ZINC000988224270 640373532 /nfs/dbraw/zinc/37/35/32/640373532.db2.gz HGZLLACXEJUZFY-WDEREUQCSA-N 0 3 316.386 2.001 20 30 DEEDHN CCCCCCC[C@H](C)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000763011388 640490656 /nfs/dbraw/zinc/49/06/56/640490656.db2.gz KDDVTRSTEZEYTL-RDJZCZTQSA-N 0 3 313.486 2.349 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@](F)(C#N)C2)cc1 ZINC000897516889 640530328 /nfs/dbraw/zinc/53/03/28/640530328.db2.gz MNLDFUXVRDJXPP-DOTOQJQBSA-N 0 3 319.380 2.198 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988645953 640563808 /nfs/dbraw/zinc/56/38/08/640563808.db2.gz NQOQSPXOWLOTMK-RISCZKNCSA-N 0 3 314.414 2.341 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000764763629 640690017 /nfs/dbraw/zinc/69/00/17/640690017.db2.gz WFMFCRXAVRWJGB-XEZPLFJOSA-N 0 3 318.760 2.414 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccnn2C(CC)CC)C1 ZINC000988956378 640696595 /nfs/dbraw/zinc/69/65/95/640696595.db2.gz VXVUFIJCRVDUSI-KGLIPLIRSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)nn2C(CC)CC)C1 ZINC000989067743 640715908 /nfs/dbraw/zinc/71/59/08/640715908.db2.gz BIROMPILYKESPN-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cccc(C(F)F)c2)C1 ZINC000989168814 640741667 /nfs/dbraw/zinc/74/16/67/640741667.db2.gz CERHYTJAVDQGJI-WFASDCNBSA-N 0 3 306.356 2.379 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2nsc3ccc(C)cc32)C1 ZINC000989297531 640780842 /nfs/dbraw/zinc/78/08/42/640780842.db2.gz COOKNHHAHJZKDO-STQMWFEESA-N 0 3 313.426 2.431 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2csc(-c3ccco3)n2)C1 ZINC000989363269 640817480 /nfs/dbraw/zinc/81/74/80/640817480.db2.gz AJZYRDVGHQLQBQ-RYUDHWBXSA-N 0 3 315.398 2.229 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000989402716 640849523 /nfs/dbraw/zinc/84/95/23/640849523.db2.gz QWJNRWTUCXUTTQ-NXEZZACHSA-N 0 3 312.747 2.444 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC000989431723 640884405 /nfs/dbraw/zinc/88/44/05/640884405.db2.gz WAZIRPIPEYWCLX-UHFFFAOYSA-N 0 3 302.422 2.017 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)NCC2(C#N)CC2)cc1 ZINC000897635803 640884585 /nfs/dbraw/zinc/88/45/85/640884585.db2.gz HKNUYJMLARLRAB-OAHLLOKOSA-N 0 3 301.390 2.154 20 30 DEEDHN COC(=O)c1cccc(OCC(=N)NOCC2(C#N)CCC2)c1 ZINC000842036254 650631628 /nfs/dbraw/zinc/63/16/28/650631628.db2.gz JWLZXAPSJVZHJR-UHFFFAOYSA-N 0 3 317.345 2.044 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000989555692 641144762 /nfs/dbraw/zinc/14/47/62/641144762.db2.gz FJAMOXYGLVGVCE-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cncnc2C(C)C)CC1 ZINC000989679053 641192107 /nfs/dbraw/zinc/19/21/07/641192107.db2.gz HRIDSLCKHINPMS-UHFFFAOYSA-N 0 3 302.422 2.324 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H](Cc2ccccc2)OC)CC1 ZINC000989701921 641201290 /nfs/dbraw/zinc/20/12/90/641201290.db2.gz LMPCWBDAYSURTN-SFHVURJKSA-N 0 3 316.445 2.355 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC000989718652 641207308 /nfs/dbraw/zinc/20/73/08/641207308.db2.gz NORCGZWUXYDLIR-RDJZCZTQSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000989816712 641240450 /nfs/dbraw/zinc/24/04/50/641240450.db2.gz QGUPNTKZMJUTQV-RHSMWYFYSA-N 0 3 312.413 2.301 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000989822402 641243118 /nfs/dbraw/zinc/24/31/18/641243118.db2.gz GUFDJKUQTAAGCY-GDBMZVCRSA-N 0 3 312.413 2.444 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(OCCO)CC2)cc1 ZINC000769538044 641257898 /nfs/dbraw/zinc/25/78/98/641257898.db2.gz PJOHGOZOGFEAIO-UHFFFAOYSA-N 0 3 303.402 2.062 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2cccc(F)c2F)C1 ZINC000989857604 641259027 /nfs/dbraw/zinc/25/90/27/641259027.db2.gz OXNZETDTBZWRHO-OCCSQVGLSA-N 0 3 306.356 2.110 20 30 DEEDHN CS[C@@H](C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989986681 641320481 /nfs/dbraw/zinc/32/04/81/641320481.db2.gz TYYUPIYXAWRFNM-ZDUSSCGKSA-N 0 3 317.458 2.390 20 30 DEEDHN N#Cc1csc(COC(=O)C2CN(C3CCCCC3)C2)n1 ZINC000842101172 650649867 /nfs/dbraw/zinc/64/98/67/650649867.db2.gz FTBLXQJXDSEOHO-UHFFFAOYSA-N 0 3 305.403 2.322 20 30 DEEDHN CN1CCN(c2ccc(C=NO[C@@H]3CCCCO3)cc2)CC1 ZINC000771557593 641524918 /nfs/dbraw/zinc/52/49/18/641524918.db2.gz GCHUEAKHRBDOSH-QGZVFWFLSA-N 0 3 303.406 2.316 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000773008732 641716105 /nfs/dbraw/zinc/71/61/05/641716105.db2.gz XWRMRDYEMSWYRF-ZBFHGGJFSA-N 0 3 300.402 2.359 20 30 DEEDHN C#CCOc1ccccc1NC(=S)NC1CCN(C)CC1 ZINC000774265066 641884099 /nfs/dbraw/zinc/88/40/99/641884099.db2.gz HDVJYGDMKCIDQQ-UHFFFAOYSA-N 0 3 303.431 2.079 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105004 641936507 /nfs/dbraw/zinc/93/65/07/641936507.db2.gz UWNKOAFVGVTHDA-PBHICJAKSA-N 0 3 316.449 2.018 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccnc1Cl)[C@H]1CCCO1 ZINC000775572704 642061739 /nfs/dbraw/zinc/06/17/39/642061739.db2.gz TZYCXGGSPKNWDB-SGMGOOAPSA-N 0 3 321.808 2.223 20 30 DEEDHN C#CCN(C(=O)NCc1cccc2[nH]ccc21)C1CCN(C)CC1 ZINC000923948760 642303353 /nfs/dbraw/zinc/30/33/53/642303353.db2.gz TYEKVLOUPGCFPG-UHFFFAOYSA-N 0 3 324.428 2.407 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000900522457 642388698 /nfs/dbraw/zinc/38/86/98/642388698.db2.gz DEUYTLROQSOGNG-SNGWPZLWSA-N 0 3 300.402 2.287 20 30 DEEDHN CCC(CSc1ccccc1[N+](=O)[O-])=NNC1=N[C@@H](C)CN1 ZINC000779791835 642539326 /nfs/dbraw/zinc/53/93/26/642539326.db2.gz LKXSCDBAGQGOIN-JTQLQIEISA-N 0 3 321.406 2.390 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccn(C(F)F)n3)CCC[C@H]12 ZINC000990890738 642710764 /nfs/dbraw/zinc/71/07/64/642710764.db2.gz KTSJQAZOMRSMJR-SWLSCSKDSA-N 0 3 310.348 2.191 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccn(CC(C)C)n3)CCC[C@H]12 ZINC000990895057 642743994 /nfs/dbraw/zinc/74/39/94/642743994.db2.gz XYRDRYGJAVORDD-FUHWJXTLSA-N 0 3 316.449 2.452 20 30 DEEDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1F ZINC000781420787 642749958 /nfs/dbraw/zinc/74/99/58/642749958.db2.gz DZXJGMMVFYDPBA-TZMCWYRMSA-N 0 3 320.364 2.270 20 30 DEEDHN COC(=O)[C@@H](NCCN1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000901684176 642751991 /nfs/dbraw/zinc/75/19/91/642751991.db2.gz HJGNYTBVKIINMJ-INIZCTEOSA-N 0 3 315.417 2.094 20 30 DEEDHN COC(=O)[C@@H](NCCN1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000901683205 642752199 /nfs/dbraw/zinc/75/21/99/642752199.db2.gz AIXARLWASLAGRV-INIZCTEOSA-N 0 3 315.417 2.094 20 30 DEEDHN C#CCNC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000842619048 650783666 /nfs/dbraw/zinc/78/36/66/650783666.db2.gz XLUBAKAAGUBUQK-MRXNPFEDSA-N 0 3 302.443 2.134 20 30 DEEDHN CN1C(=O)CC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000784866805 643179068 /nfs/dbraw/zinc/17/90/68/643179068.db2.gz KOGWQCDFQSFRQL-ONGXEEELSA-N 0 3 317.345 2.232 20 30 DEEDHN C[C@H]1[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN1C ZINC000902929711 643195472 /nfs/dbraw/zinc/19/54/72/643195472.db2.gz WYBOIICXKQTHHQ-WCQYABFASA-N 0 3 303.410 2.329 20 30 DEEDHN N#Cc1ccc(OCCCN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000903027616 643231208 /nfs/dbraw/zinc/23/12/08/643231208.db2.gz VDCDVJNKVUUMCT-MRXNPFEDSA-N 0 3 323.400 2.304 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000903290930 643313209 /nfs/dbraw/zinc/31/32/09/643313209.db2.gz JUROTYNIVQSLER-INIZCTEOSA-N 0 3 321.446 2.025 20 30 DEEDHN COCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786550745 643383334 /nfs/dbraw/zinc/38/33/34/643383334.db2.gz YBTVDLAXEJCHIK-GDBMZVCRSA-N 0 3 316.401 2.383 20 30 DEEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)O1 ZINC000786550900 643383670 /nfs/dbraw/zinc/38/36/70/643383670.db2.gz RRBQWKOKLJHFPU-BZUAXINKSA-N 0 3 314.385 2.278 20 30 DEEDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1(C#N)CCC1 ZINC000786785268 643408994 /nfs/dbraw/zinc/40/89/94/643408994.db2.gz LUSMVSVQJPTVQC-KBPBESRZSA-N 0 3 314.433 2.354 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786925666 643428700 /nfs/dbraw/zinc/42/87/00/643428700.db2.gz JYOLZIUEIQQCAQ-RWMBFGLXSA-N 0 3 324.384 2.041 20 30 DEEDHN C#CCC1(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CCCCC1 ZINC000788248430 643583065 /nfs/dbraw/zinc/58/30/65/643583065.db2.gz LADPGQIUFOUXLH-KRWDZBQOSA-N 0 3 319.493 2.102 20 30 DEEDHN C[C@H](CC(C)(C)C#N)NCCS(=O)(=O)NCc1ccccc1 ZINC000924801256 643732634 /nfs/dbraw/zinc/73/26/34/643732634.db2.gz CYMDHVSJFSZASB-CQSZACIVSA-N 0 3 323.462 2.024 20 30 DEEDHN COc1cc(OC)c(OC)cc1/C=C1/C(=O)c2ncnn2C1C ZINC000905081234 643778303 /nfs/dbraw/zinc/77/83/03/643778303.db2.gz QAMXXFMHRGNGBE-JTTRITNRSA-N 0 3 315.329 2.145 20 30 DEEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(OC)c1OC ZINC000905081522 643778360 /nfs/dbraw/zinc/77/83/60/643778360.db2.gz RSNRWRGIVURFGV-WUFUFFIZSA-N 0 3 315.329 2.145 20 30 DEEDHN COc1cc(F)c(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905085478 643779541 /nfs/dbraw/zinc/77/95/41/643779541.db2.gz NOCCXVURCVQFFT-HDPPJLHVSA-N 0 3 303.293 2.275 20 30 DEEDHN CC1/C(=C/c2ccc(O[C@@H]3CCOC3)cc2)C(=O)c2ncnn21 ZINC000905085022 643779661 /nfs/dbraw/zinc/77/96/61/643779661.db2.gz LFDBBUKMJGDWQD-XTQWFWOSSA-N 0 3 311.341 2.287 20 30 DEEDHN C=C(Br)CNC[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905064726 643785100 /nfs/dbraw/zinc/78/51/00/643785100.db2.gz KURIMMQDUHOXFM-ZIAGYGMSSA-N 0 3 314.223 2.359 20 30 DEEDHN C=CCOc1ccccc1CNC[C@H](O)CCC1(O)CCC1 ZINC000905104718 643790881 /nfs/dbraw/zinc/79/08/81/643790881.db2.gz RRPNARYMJGNHHU-MRXNPFEDSA-N 0 3 305.418 2.397 20 30 DEEDHN C[C@H]1CCCN1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000790939476 643910983 /nfs/dbraw/zinc/91/09/83/643910983.db2.gz BNBZWGJFJIMNQU-ZDUSSCGKSA-N 0 3 324.384 2.427 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCCc3cccnc32)cc1 ZINC000905602099 643960503 /nfs/dbraw/zinc/96/05/03/643960503.db2.gz NBTOFBSHQPBSQV-SJLPKXTDSA-N 0 3 323.396 2.360 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@]12CCC[C@@H]1N(CC#CC)CC2 ZINC000991070957 644001805 /nfs/dbraw/zinc/00/18/05/644001805.db2.gz XAOCHFZOUSDEAX-PKOBYXMFSA-N 0 3 311.429 2.424 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCc4nccn43)CCC[C@H]12 ZINC000991071541 644002790 /nfs/dbraw/zinc/00/27/90/644002790.db2.gz ZCBRXWWWTMUXCT-RLFYNMQTSA-N 0 3 314.433 2.060 20 30 DEEDHN C[C@@H](COCC1CCCCC1)N[C@@H](C)C(=O)N(C)CCC#N ZINC000905858482 644061483 /nfs/dbraw/zinc/06/14/83/644061483.db2.gz 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/nfs/dbraw/zinc/63/68/87/644636887.db2.gz WJOMBIGNIIXWJT-MRXNPFEDSA-N 0 3 306.431 2.350 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000843416681 650970572 /nfs/dbraw/zinc/97/05/72/650970572.db2.gz WOAJVEIFALWBJU-GDBMZVCRSA-N 0 3 323.400 2.454 20 30 DEEDHN C=CCN1CC[C@@H](N(C)c2ccnc3cc(OC)ccc32)C1=O ZINC000798405452 645012142 /nfs/dbraw/zinc/01/21/42/645012142.db2.gz ZBGSWPKVKPSXMA-QGZVFWFLSA-N 0 3 311.385 2.467 20 30 DEEDHN C=CCN1CCC(NC(=O)NOCc2ccccc2OC)CC1 ZINC000798406827 645012502 /nfs/dbraw/zinc/01/25/02/645012502.db2.gz YZKNUJLNPRUUAC-UHFFFAOYSA-N 0 3 319.405 2.076 20 30 DEEDHN CCCCCCCS(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000799770356 645217992 /nfs/dbraw/zinc/21/79/92/645217992.db2.gz YJGXCSSBEQKLHS-HNNXBMFYSA-N 0 3 302.484 2.361 20 30 DEEDHN CCN1CCCN(C(=O)c2ccccc2OCC#N)[C@H](C)C1 ZINC000910287565 645390392 /nfs/dbraw/zinc/39/03/92/645390392.db2.gz LFBFZZOLGVEWDH-CQSZACIVSA-N 0 3 301.390 2.145 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(CCCC)Cc1ccccc1O ZINC000801597862 645421493 /nfs/dbraw/zinc/42/14/93/645421493.db2.gz QABJZJCVMYAOEZ-UHFFFAOYSA-N 0 3 319.405 2.006 20 30 DEEDHN COc1cccc(C2(NCCO[C@H](C)C#N)CCOCC2)c1F ZINC000801951875 645469666 /nfs/dbraw/zinc/46/96/66/645469666.db2.gz LJFUWBHNKUWFEH-CYBMUJFWSA-N 0 3 322.380 2.358 20 30 DEEDHN Cc1nsc(NC2CCN(C[C@@H]3CCCO3)CC2)c1C#N ZINC000804348758 645759336 /nfs/dbraw/zinc/75/93/36/645759336.db2.gz DYYWEIOQALHYSN-ZDUSSCGKSA-N 0 3 306.435 2.379 20 30 DEEDHN Cc1ccc(C)c(C(=O)CCC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000129371182 645837070 /nfs/dbraw/zinc/83/70/70/645837070.db2.gz PXQNWINKAJCTFX-HNNXBMFYSA-N 0 3 312.369 2.254 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000806832290 645877521 /nfs/dbraw/zinc/87/75/21/645877521.db2.gz NEZDTFQBNAQYCY-OAHLLOKOSA-N 0 3 307.397 2.313 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)NCC=C ZINC000912036936 645913558 /nfs/dbraw/zinc/91/35/58/645913558.db2.gz MJPUZRLFUVAINB-CQSZACIVSA-N 0 3 301.390 2.225 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000912018787 645917118 /nfs/dbraw/zinc/91/71/18/645917118.db2.gz LHJXYAXOINOMEQ-CQSZACIVSA-N 0 3 306.406 2.346 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)N1 ZINC000912731274 646153544 /nfs/dbraw/zinc/15/35/44/646153544.db2.gz QSOPMTUIPWMGRP-WCQYABFASA-N 0 3 307.344 2.249 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913099266 646267588 /nfs/dbraw/zinc/26/75/88/646267588.db2.gz LTEYOSLITLCTGT-FUHWJXTLSA-N 0 3 314.429 2.053 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)c1 ZINC000810529694 646372117 /nfs/dbraw/zinc/37/21/17/646372117.db2.gz MAXXBTVIYMBXHD-RISCZKNCSA-N 0 3 318.398 2.486 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)SC ZINC000156350479 646412883 /nfs/dbraw/zinc/41/28/83/646412883.db2.gz WZAOWHKCJKIYAB-QWRGUYRKSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3cc(C)ccn23)C[C@@H]1C ZINC000947334259 646615202 /nfs/dbraw/zinc/61/52/02/646615202.db2.gz JOXZQUSPTUYUIA-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#C[C@H](NC(=O)NCCN1CCCCC1)c1ccc(F)cc1 ZINC000812318904 646631914 /nfs/dbraw/zinc/63/19/14/646631914.db2.gz LJXVBCSDTXRTJV-INIZCTEOSA-N 0 3 303.381 2.285 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2OCC)C[C@@H]1C ZINC000947993371 646651461 /nfs/dbraw/zinc/65/14/61/646651461.db2.gz AVCQXWBENSNIMK-KBPBESRZSA-N 0 3 303.406 2.249 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccc4nccn43)CCC[C@H]12 ZINC000991839023 646652494 /nfs/dbraw/zinc/65/24/94/646652494.db2.gz GSZKEYFFMABWBA-QFBILLFUSA-N 0 3 322.412 2.084 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn(C(C)C)n2)CC1 ZINC000948829257 646696091 /nfs/dbraw/zinc/69/60/91/646696091.db2.gz HXFDBKDIFDHIRJ-OAHLLOKOSA-N 0 3 302.422 2.024 20 30 DEEDHN COC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000813060100 646723341 /nfs/dbraw/zinc/72/33/41/646723341.db2.gz POKVQUWYEDLRLT-HUBLWGQQSA-N 0 3 318.373 2.261 20 30 DEEDHN COC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000813090691 646726863 /nfs/dbraw/zinc/72/68/63/646726863.db2.gz 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ZINC000992087210 646848809 /nfs/dbraw/zinc/84/88/09/646848809.db2.gz UXINXRPKVHAOFJ-QAPCUYQASA-N 0 3 310.401 2.476 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc4cccnn43)CCC[C@@H]12 ZINC000992293617 646933511 /nfs/dbraw/zinc/93/35/11/646933511.db2.gz PPPHPSLXWVGXKG-MJGOQNOKSA-N 0 3 322.412 2.084 20 30 DEEDHN C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2CCCCN2C2CC2)C1=O ZINC000925383640 646941128 /nfs/dbraw/zinc/94/11/28/646941128.db2.gz VOPSDQSHASSYHP-CHWSQXEVSA-N 0 3 311.813 2.066 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)nc(C)n3)CCC[C@H]12 ZINC000992325296 646947009 /nfs/dbraw/zinc/94/70/09/646947009.db2.gz KMACWRFCYDIRKD-RDJZCZTQSA-N 0 3 300.406 2.006 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc(C)nc3C)CCC[C@H]12 ZINC000992325813 646948041 /nfs/dbraw/zinc/94/80/41/646948041.db2.gz DVBIPJYIALQYFK-DOTOQJQBSA-N 0 3 300.406 2.006 20 30 DEEDHN CC(C)N1CC(N=Nc2nc(-c3cccnc3)no2)[C@@H](C)C1 ZINC000814947938 646950932 /nfs/dbraw/zinc/95/09/32/646950932.db2.gz QUPCFWAQRCBBJU-NSHDSACASA-N 0 3 300.366 2.260 20 30 DEEDHN C#CCNC(=O)CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000815073030 646963135 /nfs/dbraw/zinc/96/31/35/646963135.db2.gz YIXHTFUVYFZHET-UHFFFAOYSA-N 0 3 308.381 2.444 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc4c([nH]3)CCC4)CCC[C@@H]12 ZINC000992393996 646967912 /nfs/dbraw/zinc/96/79/12/646967912.db2.gz AIAAAIUCLYTYDF-MJGOQNOKSA-N 0 3 311.429 2.254 20 30 DEEDHN CC(C)(C)OC(=O)NC1(C)CCN(CCOCCC#N)CC1 ZINC000815098749 646968131 /nfs/dbraw/zinc/96/81/31/646968131.db2.gz NFLSUPKKTYJHOG-UHFFFAOYSA-N 0 3 311.426 2.296 20 30 DEEDHN N#CCCOCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000815110210 646971463 /nfs/dbraw/zinc/97/14/63/646971463.db2.gz SPUUEVWVMUDIKX-KRWDZBQOSA-N 0 3 311.385 2.109 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(C(C)C)c3)CCC[C@H]12 ZINC000992413157 646982505 /nfs/dbraw/zinc/98/25/05/646982505.db2.gz HLBYCLNFFICMIK-RDJZCZTQSA-N 0 3 302.422 2.377 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)c3cccnc3)CCC[C@@H]12 ZINC000992434680 647000150 /nfs/dbraw/zinc/00/01/50/647000150.db2.gz SBVMQPWDCLBDFS-SZVBFZGTSA-N 0 3 311.429 2.322 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc(OC)cc3)CCC[C@@H]12 ZINC000992440797 647007328 /nfs/dbraw/zinc/00/73/28/647007328.db2.gz SJWBTEKFWHRSDD-IEBWSBKVSA-N 0 3 312.413 2.445 20 30 DEEDHN N#CC(C(=O)[C@@H]1CCNC(=O)CC1)c1ccc2ccccc2n1 ZINC000815899238 647063240 /nfs/dbraw/zinc/06/32/40/647063240.db2.gz JXSFPUZNWIEWBI-KBPBESRZSA-N 0 3 307.353 2.327 20 30 DEEDHN C#CCN(C(=O)NCCc1ccc(F)cc1)C1CCN(C)CC1 ZINC000913853564 647068081 /nfs/dbraw/zinc/06/80/81/647068081.db2.gz FSVORUYXWQOWTP-UHFFFAOYSA-N 0 3 317.408 2.107 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3[nH]nc4ccccc43)CCC[C@@H]12 ZINC000992494465 647069293 /nfs/dbraw/zinc/06/92/93/647069293.db2.gz QVWROOXAKIRHEN-APWZRJJASA-N 0 3 322.412 2.313 20 30 DEEDHN CN(C)[C@H](CNC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 ZINC000913858790 647070566 /nfs/dbraw/zinc/07/05/66/647070566.db2.gz WROVRVBJYLWTLN-GDBMZVCRSA-N 0 3 300.406 2.234 20 30 DEEDHN C#CCN(C(=O)NC[C@H](Cc1ccccc1)N(C)C)C(C)C ZINC000913888594 647084178 /nfs/dbraw/zinc/08/41/78/647084178.db2.gz 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647616268 /nfs/dbraw/zinc/61/62/68/647616268.db2.gz SLTATKKAGSPUBR-DOTOQJQBSA-N 0 3 301.434 2.478 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccncc2C)[C@@H]1C ZINC000993332922 647616395 /nfs/dbraw/zinc/61/63/95/647616395.db2.gz SLTATKKAGSPUBR-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn3c2CCCC3)[C@@H]1C ZINC000993440819 647669943 /nfs/dbraw/zinc/66/99/43/647669943.db2.gz DOGYKAQXAZWRSO-DOTOQJQBSA-N 0 3 313.445 2.430 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2n[nH]c(CC)c2Cl)[C@@H]1C ZINC000993444076 647671633 /nfs/dbraw/zinc/67/16/33/647671633.db2.gz OGIRHMSXERAOOS-AAEUAGOBSA-N 0 3 322.840 2.232 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H]1C ZINC000993458935 647678476 /nfs/dbraw/zinc/67/84/76/647678476.db2.gz VSVYUXTWCXCEDB-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@@H]1C ZINC000993509356 647682890 /nfs/dbraw/zinc/68/28/90/647682890.db2.gz AKJCDBRNDRKEIG-HOCLYGCPSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(F)cn2)[C@@H]1C ZINC000993518916 647688000 /nfs/dbraw/zinc/68/80/00/647688000.db2.gz JPHUOVQHKCXNLX-BBRMVZONSA-N 0 3 305.397 2.308 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(C)c2CC)[C@@H]1C ZINC000993575411 647695107 /nfs/dbraw/zinc/69/51/07/647695107.db2.gz YJEPDKFRFMOBDX-ZFWWWQNUSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H]1C ZINC000993556878 647698575 /nfs/dbraw/zinc/69/85/75/647698575.db2.gz SEHDJGKYIQAFLS-JSGCOSHPSA-N 0 3 302.422 2.057 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccn(C(C)C)n2)[C@@H]1C ZINC000993613737 647706950 /nfs/dbraw/zinc/70/69/50/647706950.db2.gz PGDVPSCYZBPGHX-HOCLYGCPSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@H]1C ZINC000993612070 647707254 /nfs/dbraw/zinc/70/72/54/647707254.db2.gz JIPDPOYFIQCGRH-GDBMZVCRSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc3ccc(C)cn32)[C@H]1C ZINC000993593120 647710833 /nfs/dbraw/zinc/71/08/33/647710833.db2.gz 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/nfs/dbraw/zinc/76/08/58/647760858.db2.gz MSQZPKJUNZVEOF-HUUCEWRRSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cn2ncc3ccccc32)[C@@H]1C ZINC000994003837 647776532 /nfs/dbraw/zinc/77/65/32/647776532.db2.gz AGWRMTJSISIRIN-RDJZCZTQSA-N 0 3 324.428 2.029 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(OC)n2)[C@H]1C ZINC000994128883 647791119 /nfs/dbraw/zinc/79/11/19/647791119.db2.gz DWWGSDNRCHHTGV-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H]1C ZINC000994111214 647792907 /nfs/dbraw/zinc/79/29/07/647792907.db2.gz GCNBZROQCIZSQV-DOTOQJQBSA-N 0 3 316.449 2.145 20 30 DEEDHN C#C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(F)cc1 ZINC000820489633 647855115 /nfs/dbraw/zinc/85/51/15/647855115.db2.gz HLFMFAFKUBPKLZ-IAGOWNOFSA-N 0 3 313.376 2.156 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2n[nH]c3ccccc32)C[C@H]1C ZINC000948064792 647902342 /nfs/dbraw/zinc/90/23/42/647902342.db2.gz GLFGPABMTHQFDX-HUUCEWRRSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccccc2F)[C@@H]1C ZINC000994329856 647911870 /nfs/dbraw/zinc/91/18/70/647911870.db2.gz QAAXAMDTLMFNQT-YOEHRIQHSA-N 0 3 302.393 2.361 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000916868441 647935507 /nfs/dbraw/zinc/93/55/07/647935507.db2.gz NCYRPBNWPRRHCK-KFWWJZLASA-N 0 3 320.433 2.476 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSC(C)C)c1 ZINC000916890657 647937357 /nfs/dbraw/zinc/93/73/57/647937357.db2.gz OJTWAFWKJDNZDN-CYBMUJFWSA-N 0 3 306.387 2.484 20 30 DEEDHN Cc1ccccc1OCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000916886193 647937385 /nfs/dbraw/zinc/93/73/85/647937385.db2.gz CSQDFUMKSMTFAC-MRXNPFEDSA-N 0 3 322.364 2.399 20 30 DEEDHN CCC(=O)N[C@@H]1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC000994546109 648038800 /nfs/dbraw/zinc/03/88/00/648038800.db2.gz RQEPRNHSIXRCTD-BLLLJJGKSA-N 0 3 303.381 2.482 20 30 DEEDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCC2)ccc1C#N ZINC000821830611 648117144 /nfs/dbraw/zinc/11/71/44/648117144.db2.gz MYQIAKYBFJUAJN-ZDUSSCGKSA-N 0 3 301.390 2.171 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000823256680 648384104 /nfs/dbraw/zinc/38/41/04/648384104.db2.gz LORVYEUJUQGEON-SFHVURJKSA-N 0 3 312.413 2.255 20 30 DEEDHN C=C[C@@H](C)O[N-]C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000824034182 648515413 /nfs/dbraw/zinc/51/54/13/648515413.db2.gz YMZWSKZODSLHNT-CQSZACIVSA-N 0 3 306.406 2.182 20 30 DEEDHN N#CC1(c2ccc(CN3CCC4(COC(=O)N4)CC3)cc2)CC1 ZINC000825498176 648770627 /nfs/dbraw/zinc/77/06/27/648770627.db2.gz XJIXIKPPPXMIHT-UHFFFAOYSA-N 0 3 311.385 2.316 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2scc3c2OCCO3)C[C@H]1C ZINC000947887322 648822036 /nfs/dbraw/zinc/82/20/36/648822036.db2.gz VNVWLPPRNADBKM-NEPJUHHUSA-N 0 3 322.430 2.288 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCCCO2)C(C)(C)C1 ZINC000940668873 648919747 /nfs/dbraw/zinc/91/97/47/648919747.db2.gz AMKAEMAFDYUZSG-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)cc2Cl)C(C)(C)C1 ZINC000940772293 648942260 /nfs/dbraw/zinc/94/22/60/648942260.db2.gz 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/nfs/dbraw/zinc/02/60/74/649026074.db2.gz SCBQWFLIZQNSGA-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)C(C)(C)C1 ZINC000941244795 649026722 /nfs/dbraw/zinc/02/67/22/649026722.db2.gz OPWUZXNEPGGSSI-HZPDHXFCSA-N 0 3 318.465 2.464 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCN(C2CN(CCC(C)(C)C)C2)CC1 ZINC000941516663 649053499 /nfs/dbraw/zinc/05/34/99/649053499.db2.gz ZIZWGQHQMSPTSV-UHFFFAOYSA-N 0 3 321.509 2.463 20 30 DEEDHN C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(=O)OCC ZINC000827892756 649100566 /nfs/dbraw/zinc/10/05/66/649100566.db2.gz RYCDLNLHRVIMBT-OLZOCXBDSA-N 0 3 316.829 2.050 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncnc3sccc32)[C@@H](C)C1 ZINC000942061779 649147027 /nfs/dbraw/zinc/14/70/27/649147027.db2.gz PEEJNWAOGOMHFN-WCQYABFASA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(F)cccc2OC)[C@H](C)C1 ZINC000942074986 649151594 /nfs/dbraw/zinc/15/15/94/649151594.db2.gz ACZJEFOSDXTBDS-UKRRQHHQSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000942107613 649157744 /nfs/dbraw/zinc/15/77/44/649157744.db2.gz YWSIIIBOFDJHCK-ZBFHGGJFSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000942113606 649160420 /nfs/dbraw/zinc/16/04/20/649160420.db2.gz PXYJVAMHWSWXMJ-OCCSQVGLSA-N 0 3 321.371 2.483 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000828299551 649162636 /nfs/dbraw/zinc/16/26/36/649162636.db2.gz CUUMFRCBZZBSKS-UHFFFAOYSA-N 0 3 301.390 2.123 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2n[nH]c(C3CC3)c2Cl)[C@H](C)C1 ZINC000942270649 649193548 /nfs/dbraw/zinc/19/35/48/649193548.db2.gz FDLDRQVGGFQFHE-PWSUYJOCSA-N 0 3 320.824 2.014 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2coc(C(F)(F)F)n2)[C@H](C)C1 ZINC000942270706 649193923 /nfs/dbraw/zinc/19/39/23/649193923.db2.gz FSZSGDYUXDEXAV-ZJUUUORDSA-N 0 3 317.311 2.320 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc(C)c(C)nc2C)[C@H](C)C1 ZINC000942405861 649217298 /nfs/dbraw/zinc/21/72/98/649217298.db2.gz IHZHOHNKEHKWMS-IAQYHMDHSA-N 0 3 302.422 2.028 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nncc3ccccc32)[C@@H](C)C1 ZINC000942444818 649220359 /nfs/dbraw/zinc/22/03/59/649220359.db2.gz QIJRIVJWQPOWLN-BBRMVZONSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3ccc(C)cn23)[C@@H](C)C1 ZINC000942484671 649226810 /nfs/dbraw/zinc/22/68/10/649226810.db2.gz DPWMOMFZVUPNDY-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)[C@@H](C)C1 ZINC000942486068 649227343 /nfs/dbraw/zinc/22/73/43/649227343.db2.gz LUCFDOVNJMWDBL-ZFWWWQNUSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2onc3c2CCCC3)[C@@H](C)C1 ZINC000942484981 649227708 /nfs/dbraw/zinc/22/77/08/649227708.db2.gz DUUIVVBRIBVTNG-DZGCQCFKSA-N 0 3 315.417 2.017 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2Cl)[C@@H](C)C1 ZINC000942540998 649239939 /nfs/dbraw/zinc/23/99/39/649239939.db2.gz SZOWGMNWFLBKCH-CMPLNLGQSA-N 0 3 310.829 2.008 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3onc(C)c3c2)[C@@H](C)C1 ZINC000942547053 649242787 /nfs/dbraw/zinc/24/27/87/649242787.db2.gz FMASXPUDMDBART-XHDPSFHLSA-N 0 3 314.389 2.157 20 30 DEEDHN CS[C@H]1CN(C(=O)C#Cc2cccs2)C[C@H]1N1CCCC1 ZINC000829165790 649280052 /nfs/dbraw/zinc/28/00/52/649280052.db2.gz DSZVWOVDRAOMAV-CABCVRRESA-N 0 3 320.483 2.138 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ocnc2C2CC2)[C@H](C)C1 ZINC000942821360 649289417 /nfs/dbraw/zinc/28/94/17/649289417.db2.gz DTBXYKHYQBVHHR-TZMCWYRMSA-N 0 3 301.390 2.016 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnnc3ccccc32)[C@@H](C)C1 ZINC000943030398 649321087 /nfs/dbraw/zinc/32/10/87/649321087.db2.gz WVQWVBYWMKTXNE-XJKSGUPXSA-N 0 3 310.401 2.256 20 30 DEEDHN CC1(C)CN(C(=O)C2CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000995318177 649333865 /nfs/dbraw/zinc/33/38/65/649333865.db2.gz KOHXUZKLFSICNQ-INIZCTEOSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccccc2OC)C1 ZINC000829769043 649352615 /nfs/dbraw/zinc/35/26/15/649352615.db2.gz NHZIUKGDMYJBHY-HNNXBMFYSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)[C@@H](C)C1 ZINC000943516282 649387391 /nfs/dbraw/zinc/38/73/91/649387391.db2.gz KVKBGGUDMQCRST-YJBOKZPZSA-N 0 3 323.440 2.479 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2F)[C@@H](C)C1 ZINC000943748165 649419572 /nfs/dbraw/zinc/41/95/72/649419572.db2.gz APHBSGAHNGJOGJ-JSGCOSHPSA-N 0 3 306.381 2.461 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H](C)C1 ZINC000943761139 649423672 /nfs/dbraw/zinc/42/36/72/649423672.db2.gz IAABUJIUICKGGL-XJKSGUPXSA-N 0 3 304.438 2.228 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2CC3(C2)CCOCC3)[C@H](C)C1 ZINC000944155761 649492656 /nfs/dbraw/zinc/49/26/56/649492656.db2.gz PZPPXKKUSYQNDK-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3cccc(C)c23)[C@@H](C)C1 ZINC000944213120 649497915 /nfs/dbraw/zinc/49/79/15/649497915.db2.gz APCUAVGROHAFSP-DOTOQJQBSA-N 0 3 323.440 2.479 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2)[C@H](C)C1 ZINC000944317139 649510416 /nfs/dbraw/zinc/51/04/16/649510416.db2.gz IRKIQROYASBXSK-RHSMWYFYSA-N 0 3 300.402 2.159 20 30 DEEDHN CCC(CC)[C@H](CNS(=O)(=O)CC(C)(C)CC#N)N(C)C ZINC000831187754 649550369 /nfs/dbraw/zinc/55/03/69/649550369.db2.gz NHWGNWIHTQHTGX-AWEZNQCLSA-N 0 3 317.499 2.212 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(OCC)c2)[C@@H](C)C1 ZINC000945182223 649624850 /nfs/dbraw/zinc/62/48/50/649624850.db2.gz PHLFGJQLRCFUKW-MAUKXSAKSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000831678863 649627543 /nfs/dbraw/zinc/62/75/43/649627543.db2.gz JGWWRPDSMDVVHZ-SJORKVTESA-N 0 3 315.417 2.158 20 30 DEEDHN C=C(C)[C@H](CO)N(C)C[C@H](O)c1ccccc1Br ZINC000832679889 649735149 /nfs/dbraw/zinc/73/51/49/649735149.db2.gz LLCUWJKSGKFUEO-KBPBESRZSA-N 0 3 314.223 2.351 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000834423577 649795598 /nfs/dbraw/zinc/79/55/98/649795598.db2.gz DOXJERULGLJGSI-GOSISDBHSA-N 0 3 314.429 2.053 20 30 DEEDHN C=C[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCC ZINC000834620816 649822985 /nfs/dbraw/zinc/82/29/85/649822985.db2.gz XKXCIBVFKLTIJR-XQQFMLRXSA-N 0 3 312.410 2.092 20 30 DEEDHN C=C(CO)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000844034370 651066932 /nfs/dbraw/zinc/06/69/32/651066932.db2.gz BJRBYANURAMPSW-KRWDZBQOSA-N 0 3 302.418 2.046 20 30 DEEDHN C=C(C)CONC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000844630387 651148836 /nfs/dbraw/zinc/14/88/36/651148836.db2.gz GWBCDWHELTWVNA-UHFFFAOYSA-N 0 3 318.421 2.458 20 30 DEEDHN C#Cc1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1 ZINC000846052834 651304661 /nfs/dbraw/zinc/30/46/61/651304661.db2.gz RFXKBHOHWKTOQZ-UHFFFAOYSA-N 0 3 307.397 2.189 20 30 DEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C#N)c(OC)c1 ZINC000846971221 651365663 /nfs/dbraw/zinc/36/56/63/651365663.db2.gz JTUZZQRAKGAMKX-OAHLLOKOSA-N 0 3 301.390 2.123 20 30 DEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C#N)c(OC)c1 ZINC000846971217 651365848 /nfs/dbraw/zinc/36/58/48/651365848.db2.gz JTUZZQRAKGAMKX-HNNXBMFYSA-N 0 3 301.390 2.123 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000847379833 651392748 /nfs/dbraw/zinc/39/27/48/651392748.db2.gz WPAYAEIJFGNFIN-ZDUSSCGKSA-N 0 3 315.408 2.455 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)nc(C2CC2)c1 ZINC000848142089 651440067 /nfs/dbraw/zinc/44/00/67/651440067.db2.gz CUCMRJMBBZEGSH-UHFFFAOYSA-N 0 3 305.809 2.297 20 30 DEEDHN CN1CCCc2cc(CNC(=O)[C@@H](N)CCCCC#N)ccc21 ZINC000848412595 651456995 /nfs/dbraw/zinc/45/69/95/651456995.db2.gz WBSLZCSFVAVMMS-INIZCTEOSA-N 0 3 314.433 2.096 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577320 651474070 /nfs/dbraw/zinc/47/40/70/651474070.db2.gz DFKQBYOGMXUIJA-BLLLJJGKSA-N 0 3 315.373 2.050 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(CC)[C@H]2CCN(C)C2)cc1 ZINC000855363199 651683574 /nfs/dbraw/zinc/68/35/74/651683574.db2.gz ZXAFNEGRKOWQGK-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C#C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CCOCC1 ZINC000856110757 651846905 /nfs/dbraw/zinc/84/69/05/651846905.db2.gz DNOIDDPNIBKXBN-DLBZAZTESA-N 0 3 306.450 2.042 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1OC ZINC000850758887 651982764 /nfs/dbraw/zinc/98/27/64/651982764.db2.gz KGLJFUFPYPFOMJ-LLVKDONJSA-N 0 3 308.309 2.101 20 30 DEEDHN Cn1nccc1[C@H](O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000856795665 651985486 /nfs/dbraw/zinc/98/54/86/651985486.db2.gz JOMOBKTVNXLCIN-GOSISDBHSA-N 0 3 310.401 2.237 20 30 DEEDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(CCOCCC#N)C2 ZINC000856813480 651990200 /nfs/dbraw/zinc/99/02/00/651990200.db2.gz HEJPWIWXAIOERM-RHSMWYFYSA-N 0 3 323.437 2.296 20 30 DEEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1cccc(C)c1)C1CCC1 ZINC000850976530 652034019 /nfs/dbraw/zinc/03/40/19/652034019.db2.gz FBARWBHPYQYERE-RDJZCZTQSA-N 0 3 314.385 2.135 20 30 DEEDHN CNC(=O)OC[C@@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC000852052222 652325589 /nfs/dbraw/zinc/32/55/89/652325589.db2.gz NZHGDVQFTXUQDI-INIZCTEOSA-N 0 3 301.390 2.311 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1OC ZINC000852097949 652337623 /nfs/dbraw/zinc/33/76/23/652337623.db2.gz AXJLXAXPEUHOIX-SFHVURJKSA-N 0 3 318.417 2.054 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000852101678 652339388 /nfs/dbraw/zinc/33/93/88/652339388.db2.gz GNARKZIEMURLLC-FUHWJXTLSA-N 0 3 318.392 2.117 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000852101679 652339964 /nfs/dbraw/zinc/33/99/64/652339964.db2.gz GNARKZIEMURLLC-SJLPKXTDSA-N 0 3 318.392 2.117 20 30 DEEDHN C#C[C@@](C)(CC)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000852104325 652340302 /nfs/dbraw/zinc/34/03/02/652340302.db2.gz HEVURVIDFZDFGD-WMZOPIPTSA-N 0 3 300.402 2.188 20 30 DEEDHN CC[C@@H]1COC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000852555841 652420323 /nfs/dbraw/zinc/42/03/23/652420323.db2.gz FAAJYMLBRWOYBU-PVAVHDDUSA-N 0 3 313.401 2.068 20 30 DEEDHN OC1CCN(c2ccc(C=NNC[C@H]3CCSC3)cc2)CC1 ZINC000853346739 652540565 /nfs/dbraw/zinc/54/05/65/652540565.db2.gz KHIBGUCULHLVLQ-OAHLLOKOSA-N 0 3 319.474 2.324 20 30 DEEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000854073155 652637929 /nfs/dbraw/zinc/63/79/29/652637929.db2.gz RELTXTFXGZUOMM-QGZVFWFLSA-N 0 3 301.434 2.480 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc(CC)cn1 ZINC001390702388 1155842991 /nfs/dbraw/zinc/84/29/91/1155842991.db2.gz GQASSYUYACBXPY-ZDUSSCGKSA-N 0 3 309.841 2.423 20 30 DEEDHN C=C(C)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)O ZINC001356293473 1152071179 /nfs/dbraw/zinc/07/11/79/1152071179.db2.gz INALSXDEJFPQFC-UHFFFAOYSA-N 0 3 321.469 2.002 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000858493519 685551134 /nfs/dbraw/zinc/55/11/34/685551134.db2.gz WZFMEUIBDKMXIF-GOEBONIOSA-N 0 3 321.371 2.075 20 30 DEEDHN N#CC(C(=O)CCNC(=O)Cc1ccccc1)c1ccccn1 ZINC000041482543 683890580 /nfs/dbraw/zinc/89/05/80/683890580.db2.gz OZTHWHBCSHKHGX-HNNXBMFYSA-N 0 3 307.353 2.007 20 30 DEEDHN CC(=O)N(C)C1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000092538358 684043923 /nfs/dbraw/zinc/04/39/23/684043923.db2.gz ZLKDRFGDVKNPHE-CQSZACIVSA-N 0 3 315.417 2.420 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)COCC1CC1 ZINC000113140482 684061640 /nfs/dbraw/zinc/06/16/40/684061640.db2.gz LTZKJQCYFOJHNG-ZDUSSCGKSA-N 0 3 316.357 2.159 20 30 DEEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1 ZINC000126311847 684153264 /nfs/dbraw/zinc/15/32/64/684153264.db2.gz VZZHLXOJUWAFAQ-CYBMUJFWSA-N 0 3 324.296 2.259 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCCOc1ccc(C)cc1Cl ZINC000133349137 684218546 /nfs/dbraw/zinc/21/85/46/684218546.db2.gz STNPMYXWQJYSAK-LLVKDONJSA-N 0 3 308.765 2.262 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000133519867 684220309 /nfs/dbraw/zinc/22/03/09/684220309.db2.gz ZAMBSBSZFSCEKL-IONNQARKSA-N 0 3 315.156 2.216 20 30 DEEDHN C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001054088879 693838582 /nfs/dbraw/zinc/83/85/82/693838582.db2.gz CLUUEKRIDBDBND-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001054088879 693838587 /nfs/dbraw/zinc/83/85/87/693838587.db2.gz CLUUEKRIDBDBND-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN C=CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(OCC)no1)C2 ZINC001054166193 693868719 /nfs/dbraw/zinc/86/87/19/693868719.db2.gz YDJDEECZQRVOOD-QGZVFWFLSA-N 0 3 319.405 2.187 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1CCC(OC)CC1)C2 ZINC001054187117 693875205 /nfs/dbraw/zinc/87/52/05/693875205.db2.gz KWDOIVGFEXKDBL-TVPLGVNVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(C)C)n[nH]1)C2 ZINC001054202130 693880971 /nfs/dbraw/zinc/88/09/71/693880971.db2.gz XBMKJSCOQCGDQO-GOSISDBHSA-N 0 3 314.433 2.094 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ncccc1F)C2 ZINC001054219647 693888034 /nfs/dbraw/zinc/88/80/34/693888034.db2.gz RHWGWUKRAOPDLY-GOSISDBHSA-N 0 3 315.392 2.172 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001054246862 693898514 /nfs/dbraw/zinc/89/85/14/693898514.db2.gz KXDJSOYEDHRTIL-URNBORRASA-N 0 3 312.457 2.226 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)OC ZINC000195492253 685100252 /nfs/dbraw/zinc/10/02/52/685100252.db2.gz AXUSOCVSKWYMBX-NWDGAFQWSA-N 0 3 304.346 2.158 20 30 DEEDHN N#Cc1ccc(CN(C[C@H](O)C2(O)CCCC2)C2CC2)cc1 ZINC000929367667 693945553 /nfs/dbraw/zinc/94/55/53/693945553.db2.gz PZADDXPJUUEEGB-KRWDZBQOSA-N 0 3 300.402 2.189 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860462233 685929401 /nfs/dbraw/zinc/92/94/01/685929401.db2.gz RVVOJKFHEMFRFD-QWHCGFSZSA-N 0 3 306.362 2.025 20 30 DEEDHN CCO[C@@H](C(=O)C(C#N)C(=O)NCc1cccc(C)c1)C1CC1 ZINC000860692621 685951810 /nfs/dbraw/zinc/95/18/10/685951810.db2.gz PISQJOKOGLAIOQ-DOTOQJQBSA-N 0 3 314.385 2.135 20 30 DEEDHN C=CCC1(C(=O)OC[C@]2(C)C[C@H](OC)CN2C)CCOCC1 ZINC000861356663 686061238 /nfs/dbraw/zinc/06/12/38/686061238.db2.gz NNIFGCXGQQXNOG-HOCLYGCPSA-N 0 3 311.422 2.012 20 30 DEEDHN CC[C@@H](CO)N1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929733755 694017073 /nfs/dbraw/zinc/01/70/73/694017073.db2.gz XPQUPPOJJLXFKV-INIZCTEOSA-N 0 3 307.825 2.100 20 30 DEEDHN C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054676914 694022842 /nfs/dbraw/zinc/02/28/42/694022842.db2.gz HWBDSKPWNCVNBF-XHDPSFHLSA-N 0 3 314.414 2.198 20 30 DEEDHN N#Cc1ccc([C@@H](O)CNC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000863565474 686523499 /nfs/dbraw/zinc/52/34/99/686523499.db2.gz KWCSHCOXNXKIIJ-KBPBESRZSA-N 0 3 324.306 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](OCC)C2CC2)C1 ZINC001375531972 1158804784 /nfs/dbraw/zinc/80/47/84/1158804784.db2.gz VQFQSJAQUQKRHZ-UBHSHLNASA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000865193204 686963425 /nfs/dbraw/zinc/96/34/25/686963425.db2.gz HOIORWMBHQYYRX-UHFFFAOYSA-N 0 3 308.385 2.420 20 30 DEEDHN C=C(C)CN1CCC(Nc2nccc(-c3ccnn3C)n2)CC1 ZINC000865521717 687245625 /nfs/dbraw/zinc/24/56/25/687245625.db2.gz BXJLIUVRMCPXQA-UHFFFAOYSA-N 0 3 312.421 2.330 20 30 DEEDHN C#C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000865530822 687248567 /nfs/dbraw/zinc/24/85/67/687248567.db2.gz BYCYXWUTHANTSV-KFWWJZLASA-N 0 3 308.422 2.156 20 30 DEEDHN COc1nccc(CNC2CCN(c3ccccc3C#N)CC2)n1 ZINC000865695960 687304826 /nfs/dbraw/zinc/30/48/26/687304826.db2.gz RTZPOLXVHVMMTE-UHFFFAOYSA-N 0 3 323.400 2.115 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001016231338 687564722 /nfs/dbraw/zinc/56/47/22/687564722.db2.gz YOONNKAETNBJBR-GOSISDBHSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001016291451 687583986 /nfs/dbraw/zinc/58/39/86/687583986.db2.gz SSIFUKYVTHABGC-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC001016331032 687594605 /nfs/dbraw/zinc/59/46/05/687594605.db2.gz IVGGAFVDPJMLTA-INIZCTEOSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001016343301 687596294 /nfs/dbraw/zinc/59/62/94/687596294.db2.gz IKDUYHIWNJJKPM-HOCLYGCPSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001016651489 687674750 /nfs/dbraw/zinc/67/47/50/687674750.db2.gz IKYJGEBJMVBEGZ-ZIAGYGMSSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(F)ccc2F)CC1 ZINC001016662241 687677388 /nfs/dbraw/zinc/67/73/88/687677388.db2.gz JXEIECKYXVWOJT-OAHLLOKOSA-N 0 3 304.340 2.182 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(CC)n2)CC1 ZINC001016663154 687678187 /nfs/dbraw/zinc/67/81/87/687678187.db2.gz WYWLZZAPQCPMQI-KRWDZBQOSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(C)noc2C(F)F)CC1 ZINC001016680574 687680668 /nfs/dbraw/zinc/68/06/68/687680668.db2.gz BMJKHWVUZOPIGH-LLVKDONJSA-N 0 3 323.343 2.138 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(C(C)C)n2)CC1 ZINC001016712459 687687874 /nfs/dbraw/zinc/68/78/74/687687874.db2.gz NCWUMBNNPSYPSF-QGZVFWFLSA-N 0 3 311.429 2.423 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(c3cccnc3)CC2)CC1 ZINC001016786283 687701837 /nfs/dbraw/zinc/70/18/37/687701837.db2.gz OLBXSCLOMAERCX-KRWDZBQOSA-N 0 3 323.440 2.107 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2nccc3ccccc32)CC1 ZINC001016795511 687704514 /nfs/dbraw/zinc/70/45/14/687704514.db2.gz GZDHKWQAZXZUGF-KRWDZBQOSA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC001016877165 687725294 /nfs/dbraw/zinc/72/52/94/687725294.db2.gz JTWIHBDZKCDTNE-SJLPKXTDSA-N 0 3 324.424 2.157 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC001016877163 687725313 /nfs/dbraw/zinc/72/53/13/687725313.db2.gz JTWIHBDZKCDTNE-AEFFLSMTSA-N 0 3 324.424 2.157 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001016915275 687733357 /nfs/dbraw/zinc/73/33/57/687733357.db2.gz WSDLASLSTKSAHB-MRXNPFEDSA-N 0 3 322.412 2.089 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(Cl)cn2)CC1 ZINC001016936196 687737447 /nfs/dbraw/zinc/73/74/47/687737447.db2.gz BMUMKMRNDSKZTN-HNNXBMFYSA-N 0 3 317.820 2.343 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC001016990650 687751371 /nfs/dbraw/zinc/75/13/71/687751371.db2.gz PGJIHVNLBBVMFS-QUCCMNQESA-N 0 3 322.452 2.494 20 30 DEEDHN CC(C)N1CC[C@H](NC[C@H](O)CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000930353172 694143905 /nfs/dbraw/zinc/14/39/05/694143905.db2.gz FDJLNSAIBDMPCN-XOKHGSTOSA-N 0 3 323.387 2.353 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(OC(F)F)cc1F ZINC000867994836 687866305 /nfs/dbraw/zinc/86/63/05/687866305.db2.gz GETQUYQHMXMODU-GFCCVEGCSA-N 0 3 315.295 2.064 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001017738928 687951481 /nfs/dbraw/zinc/95/14/81/687951481.db2.gz CZZRQUXWINLGTK-IYBDPMFKSA-N 0 3 315.417 2.215 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](OC)CC[C@@H]2C)CC1 ZINC000868221655 687952613 /nfs/dbraw/zinc/95/26/13/687952613.db2.gz KUMXUZYRKIBJEF-HOCLYGCPSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](OC)CC[C@H]2C)CC1 ZINC000868221651 687952895 /nfs/dbraw/zinc/95/28/95/687952895.db2.gz KUMXUZYRKIBJEF-GDBMZVCRSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1ccc(C)n1 ZINC001017795247 687963250 /nfs/dbraw/zinc/96/32/50/687963250.db2.gz SCVWAXXNCUFYGT-YESZJQIVSA-N 0 3 316.449 2.394 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cncnc1 ZINC001017843257 687969791 /nfs/dbraw/zinc/96/97/91/687969791.db2.gz BMSKTBKOLBSWEF-BHYGNILZSA-N 0 3 314.433 2.222 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(OC)CC1 ZINC001017870087 687979210 /nfs/dbraw/zinc/97/92/10/687979210.db2.gz NEFKSZMTORMOML-HPZPOOBXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001018070607 688046638 /nfs/dbraw/zinc/04/66/38/688046638.db2.gz KZNFTNXDQXMQKP-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](CC)C1 ZINC001018156092 688066452 /nfs/dbraw/zinc/06/64/52/688066452.db2.gz JPBIUCIEDYAPHB-NXOAAHMSSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)n[nH]c1C ZINC001018258998 688095388 /nfs/dbraw/zinc/09/53/88/688095388.db2.gz QTOSZOZHTSRXEW-IYBDPMFKSA-N 0 3 316.449 2.210 20 30 DEEDHN COc1ccc(CN[C@H]2CCN(C(=O)CC3CC3)C2)cc1C#N ZINC001018399763 688124553 /nfs/dbraw/zinc/12/45/53/688124553.db2.gz MPZMXUIZHAPFIM-INIZCTEOSA-N 0 3 313.401 2.057 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000869024425 688201915 /nfs/dbraw/zinc/20/19/15/688201915.db2.gz IKCYBEDNLXVMBV-UHFFFAOYSA-N 0 3 322.412 2.038 20 30 DEEDHN CC1CC(C(=O)N2CC[C@H](NCc3ccc(C#N)c(F)c3)C2)C1 ZINC001018693836 688209035 /nfs/dbraw/zinc/20/90/35/688209035.db2.gz UMWDMUPYRQXHEM-MOQPWLNLSA-N 0 3 315.392 2.434 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)cc1F ZINC001018820317 688239885 /nfs/dbraw/zinc/23/98/85/688239885.db2.gz QGMQQGPVFFLSHB-QWHCGFSZSA-N 0 3 323.318 2.043 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001019257016 688311516 /nfs/dbraw/zinc/31/15/16/688311516.db2.gz GWKZHDGFTKISGM-CQDKDKBSSA-N 0 3 301.365 2.044 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2ccccc2)C1 ZINC001019945704 688426452 /nfs/dbraw/zinc/42/64/52/688426452.db2.gz RDUUHSZZBFOVFR-JOCQHMNTSA-N 0 3 309.207 2.446 20 30 DEEDHN N#CC1CCC(CN2CCN(c3cc(F)ncn3)CC2)CC1 ZINC000930634118 694206435 /nfs/dbraw/zinc/20/64/35/694206435.db2.gz PMJJXJCRGWUIDN-UHFFFAOYSA-N 0 3 303.385 2.068 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C3CC3)nn2CC)C1 ZINC001020275421 688493920 /nfs/dbraw/zinc/49/39/20/688493920.db2.gz MKSBNVUNJCRXSR-JOCQHMNTSA-N 0 3 322.840 2.383 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000870144906 688498072 /nfs/dbraw/zinc/49/80/72/688498072.db2.gz IFYMJZFNGMEZAZ-FZMZJTMJSA-N 0 3 318.348 2.268 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001020370792 688510428 /nfs/dbraw/zinc/51/04/28/688510428.db2.gz VYMCRPRAGGSQDC-KKUMJFAQSA-N 0 3 320.820 2.227 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nc(C)c(C)nc2C)C1 ZINC001020373131 688510646 /nfs/dbraw/zinc/51/06/46/688510646.db2.gz LEJUNVPAQZKXMI-JOCQHMNTSA-N 0 3 308.813 2.005 20 30 DEEDHN CC(C)(C)OC(=O)C1(CCN2CC[C@@](O)(CC#N)C2)CCC1 ZINC000930817914 694248997 /nfs/dbraw/zinc/24/89/97/694248997.db2.gz AVHJQQJZVCVIAB-KRWDZBQOSA-N 0 3 308.422 2.239 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000930827670 694250432 /nfs/dbraw/zinc/25/04/32/694250432.db2.gz GKXPSUJIXHQXJU-ZDUSSCGKSA-N 0 3 319.371 2.362 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001031822262 689002939 /nfs/dbraw/zinc/00/29/39/689002939.db2.gz QMTWACUTMGUZBP-UHFFFAOYSA-N 0 3 307.397 2.162 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccccc2OC2CCC2)C1 ZINC001031965630 689032849 /nfs/dbraw/zinc/03/28/49/689032849.db2.gz LYYYSKRYGFUTGI-UHFFFAOYSA-N 0 3 312.413 2.303 20 30 DEEDHN CN(CCOC1CCSCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000930844880 694253564 /nfs/dbraw/zinc/25/35/64/694253564.db2.gz HFFKOSKRDHSUSI-QGZVFWFLSA-N 0 3 320.458 2.436 20 30 DEEDHN C=C(Cl)CN1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001032027043 689045145 /nfs/dbraw/zinc/04/51/45/689045145.db2.gz MIJWZRSSPAGWFC-HNNXBMFYSA-N 0 3 313.873 2.050 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001032070795 689054240 /nfs/dbraw/zinc/05/42/40/689054240.db2.gz SHGLBPWXYNGMGO-UHFFFAOYSA-N 0 3 319.408 2.434 20 30 DEEDHN C#CCCN1CC(CNC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001032212784 689084444 /nfs/dbraw/zinc/08/44/44/689084444.db2.gz CJMIIPRFZJHPOL-UHFFFAOYSA-N 0 3 308.425 2.180 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000872881624 689112169 /nfs/dbraw/zinc/11/21/69/689112169.db2.gz PCBKGFKHVMKVSE-XIRDDKMYSA-N 0 3 321.465 2.284 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC001032422850 689147233 /nfs/dbraw/zinc/14/72/33/689147233.db2.gz ODZTVMSBLNBWFB-RDBSUJKOSA-N 0 3 312.841 2.087 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2c(=O)o1 ZINC001032424738 689147645 /nfs/dbraw/zinc/14/76/45/689147645.db2.gz QOZUVYYXJFLCAF-GJZGRUSLSA-N 0 3 324.380 2.268 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2cccnc21 ZINC001032581856 689193588 /nfs/dbraw/zinc/19/35/88/689193588.db2.gz HBKJDOQNTGMDTN-YESZJQIVSA-N 0 3 311.429 2.363 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cc(C)on1 ZINC001032620290 689203661 /nfs/dbraw/zinc/20/36/61/689203661.db2.gz AEQFXZPPRMWUOP-HOTGVXAUSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1ccnc1 ZINC001032656920 689215096 /nfs/dbraw/zinc/21/50/96/689215096.db2.gz QOHAHHNOUBNXET-JYJNAYRXSA-N 0 3 302.422 2.086 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCN2C ZINC001032717442 689235438 /nfs/dbraw/zinc/23/54/38/689235438.db2.gz ICNXAXIFVSYINE-IRXDYDNUSA-N 0 3 311.429 2.154 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]nc1C(C)C ZINC001032720659 689236134 /nfs/dbraw/zinc/23/61/34/689236134.db2.gz BTMMOYYTRZSSTC-KBPBESRZSA-N 0 3 302.422 2.316 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)n[nH]c1C(C)C ZINC001032720659 689236139 /nfs/dbraw/zinc/23/61/39/689236139.db2.gz BTMMOYYTRZSSTC-KBPBESRZSA-N 0 3 302.422 2.316 20 30 DEEDHN COc1ccc(C#N)cc1CN1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930909459 694269104 /nfs/dbraw/zinc/26/91/04/694269104.db2.gz QFRMYJDENOITJV-LALPHHSUSA-N 0 3 301.390 2.041 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cccnc2C1 ZINC001032754398 689249080 /nfs/dbraw/zinc/24/90/80/689249080.db2.gz FZBSEGZZWJBXLY-ULQDDVLXSA-N 0 3 311.429 2.048 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OC)c1 ZINC001032765180 689251796 /nfs/dbraw/zinc/25/17/96/689251796.db2.gz ZVUCJCHLDFDORJ-HOTGVXAUSA-N 0 3 300.402 2.099 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc(Cl)cn1 ZINC001032799843 689263693 /nfs/dbraw/zinc/26/36/93/689263693.db2.gz PEGUZMJMDVPIAB-GJZGRUSLSA-N 0 3 322.840 2.178 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001033071758 689375952 /nfs/dbraw/zinc/37/59/52/689375952.db2.gz HKFQTQFVKZCQGC-AWEZNQCLSA-N 0 3 303.406 2.276 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn(C3CCC3)c2)C1 ZINC001033070654 689376691 /nfs/dbraw/zinc/37/66/91/689376691.db2.gz APAIFYNYNCJKHV-INIZCTEOSA-N 0 3 302.422 2.331 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001033085524 689382177 /nfs/dbraw/zinc/38/21/77/689382177.db2.gz RMSKJKIFPPMUSS-OLZOCXBDSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc([C@H](C)OC)n2)C1 ZINC001033085526 689382473 /nfs/dbraw/zinc/38/24/73/689382473.db2.gz RMSKJKIFPPMUSS-STQMWFEESA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000930939206 694279221 /nfs/dbraw/zinc/27/92/21/694279221.db2.gz DKQMHJQRMVDFNV-CJNGLKHVSA-N 0 3 313.401 2.303 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cncc3ccccc32)C1 ZINC001033166423 689410433 /nfs/dbraw/zinc/41/04/33/689410433.db2.gz UBZGIIGZFJNFNP-GOSISDBHSA-N 0 3 321.424 2.333 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001033313476 689458767 /nfs/dbraw/zinc/45/87/67/689458767.db2.gz SSLLEBVSBPAZDQ-AWEZNQCLSA-N 0 3 303.406 2.126 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001033320788 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C#CCCN1CC[C@@H](N(C)C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001033569168 689546776 /nfs/dbraw/zinc/54/67/76/689546776.db2.gz SIUWHYMIUFLPBC-GDBMZVCRSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033601103 689555524 /nfs/dbraw/zinc/55/55/24/689555524.db2.gz JWJXJICWPKSMJG-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001033626035 689565080 /nfs/dbraw/zinc/56/50/80/689565080.db2.gz MWWSWICVBKCIIF-ROUUACIJSA-N 0 3 314.429 2.237 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(OC)ccc2OC)C1 ZINC001033648646 689571032 /nfs/dbraw/zinc/57/10/32/689571032.db2.gz OLAPWCQQZMCXKH-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033749100 689606251 /nfs/dbraw/zinc/60/62/51/689606251.db2.gz YPNKGMCODQOIAU-ZDUSSCGKSA-N 0 3 308.451 2.349 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001033835671 689631827 /nfs/dbraw/zinc/63/18/27/689631827.db2.gz 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CC#CCN1CCC[C@]2(CCN(C(=O)c3onc(C)c3C)C2)C1 ZINC001040253786 691221083 /nfs/dbraw/zinc/22/10/83/691221083.db2.gz JVMCCYZBXJOOFU-SFHVURJKSA-N 0 3 315.417 2.243 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC001040319727 691230233 /nfs/dbraw/zinc/23/02/33/691230233.db2.gz JPTVLZZKZGWNDN-GOSISDBHSA-N 0 3 316.449 2.151 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3CC[C@H](F)C3)C2)CC1 ZINC001040820497 691290172 /nfs/dbraw/zinc/29/01/72/691290172.db2.gz UCTNTYCMULLKHA-CVEARBPZSA-N 0 3 306.425 2.462 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CCn3cccc3)C2)CC1 ZINC001040895035 691296219 /nfs/dbraw/zinc/29/62/19/691296219.db2.gz RPKIFLUEJKQPLW-UHFFFAOYSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3cc4c([nH]3)CCC4)C2)CC1 ZINC001040909349 691298059 /nfs/dbraw/zinc/29/80/59/691298059.db2.gz HBIJVLDMHHGLKS-UHFFFAOYSA-N 0 3 311.429 2.065 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@]3(CCN(C(=O)C4CC4)C3)C2)cc1 ZINC001040984332 691305437 /nfs/dbraw/zinc/30/54/37/691305437.db2.gz 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/nfs/dbraw/zinc/38/73/64/691387364.db2.gz RAQMESBRECDJAA-HXUWFJFHSA-N 0 3 310.441 2.485 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCc4cccnc43)C2)C1 ZINC001041584527 691397428 /nfs/dbraw/zinc/39/74/28/691397428.db2.gz AKTLUEJXKKQCPJ-PXNSSMCTSA-N 0 3 323.440 2.059 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cc(C4CC4)no3)C2)C1 ZINC001041715853 691415319 /nfs/dbraw/zinc/41/53/19/691415319.db2.gz LFUZPHAFFIXRTL-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC[C@@H]3CCCOC3)C2)C1 ZINC001041762857 691426342 /nfs/dbraw/zinc/42/63/42/691426342.db2.gz OCHNSBAXHPXTSJ-HKUYNNGSSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CC[C@@H](CO)NCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000883123481 691433629 /nfs/dbraw/zinc/43/36/29/691433629.db2.gz YRUNQLGAHVGBRK-SFHVURJKSA-N 0 3 311.429 2.330 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC001041815762 691438188 /nfs/dbraw/zinc/43/81/88/691438188.db2.gz IFWJFNFFQJWLCO-SFHVURJKSA-N 0 3 314.454 2.408 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3c(C)cccc3F)C2)C1 ZINC001041856047 691446974 /nfs/dbraw/zinc/44/69/74/691446974.db2.gz XCYJXRSOMCFDFH-GOSISDBHSA-N 0 3 300.377 2.305 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3[nH]cnc3C(C)(C)C)C[C@@H]21 ZINC001042064972 691496496 /nfs/dbraw/zinc/49/64/96/691496496.db2.gz MMRWQWKERSSXHO-KBPBESRZSA-N 0 3 316.449 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21 ZINC001042078979 691501049 /nfs/dbraw/zinc/50/10/49/691501049.db2.gz ZSFAYZQIXYMPJT-JSGCOSHPSA-N 0 3 324.375 2.391 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(OCC)nc3)C[C@H]21 ZINC001042081975 691502655 /nfs/dbraw/zinc/50/26/55/691502655.db2.gz CMSVGGHFESXXSA-GDBMZVCRSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C[C@@H]21 ZINC001042086331 691503432 /nfs/dbraw/zinc/50/34/32/691503432.db2.gz WUWUZDSTBZSLEC-PBHICJAKSA-N 0 3 314.433 2.020 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C(F)F)ncn3)C[C@@H]21 ZINC001042114649 691511856 /nfs/dbraw/zinc/51/18/56/691511856.db2.gz MMXWPGXQXMEQKP-RISCZKNCSA-N 0 3 322.359 2.137 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc4ncn(C)c43)C[C@H]21 ZINC001042120971 691513391 /nfs/dbraw/zinc/51/33/91/691513391.db2.gz CLWBORFFEPBWEZ-RHSMWYFYSA-N 0 3 324.428 2.296 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)COC3CCCCC3)C[C@H]21 ZINC001042125732 691514859 /nfs/dbraw/zinc/51/48/59/691514859.db2.gz XHQVBDXGYMQDHP-SJLPKXTDSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C[C@H]21 ZINC001042128610 691515650 /nfs/dbraw/zinc/51/56/50/691515650.db2.gz XBTOZGSAFQRTBD-UKRRQHHQSA-N 0 3 316.449 2.430 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cncc4[nH]ccc43)C[C@@H]21 ZINC001042136839 691518074 /nfs/dbraw/zinc/51/80/74/691518074.db2.gz XHAHXIRYGGWRQL-KDOFPFPSSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)c3cccc4cccnc43)C[C@H]21 ZINC001042137440 691518088 /nfs/dbraw/zinc/51/80/88/691518088.db2.gz GDOXHDFNCFQGOE-MAUKXSAKSA-N 0 3 319.408 2.404 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)nc(OC)c3)C[C@@H]21 ZINC001042200350 691534260 /nfs/dbraw/zinc/53/42/60/691534260.db2.gz BGIYGQIFSGGCKV-ZBFHGGJFSA-N 0 3 315.417 2.121 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C[C@@H]21 ZINC001042240510 691544530 /nfs/dbraw/zinc/54/45/30/691544530.db2.gz MCYMUBYNDKGNFH-BBRMVZONSA-N 0 3 302.422 2.256 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C[C@@H]21 ZINC001042241705 691545353 /nfs/dbraw/zinc/54/53/53/691545353.db2.gz CHCJKFDNLOYXRJ-CJNGLKHVSA-N 0 3 300.406 2.010 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)c3cccc4[nH]ccc43)C[C@@H]21 ZINC001042241838 691545377 /nfs/dbraw/zinc/54/53/77/691545377.db2.gz FEJBMOWASVTBQX-KSSFIOAISA-N 0 3 307.397 2.338 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccn(CC)n3)C[C@H]21 ZINC001042260780 691551845 /nfs/dbraw/zinc/55/18/45/691551845.db2.gz WSBRRYCIDYPCPW-GDBMZVCRSA-N 0 3 302.422 2.016 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccc(OC)o3)C[C@H]21 ZINC001042283154 691556806 /nfs/dbraw/zinc/55/68/06/691556806.db2.gz IUDGNLXOFGKCLM-ZIAGYGMSSA-N 0 3 304.390 2.401 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)c3cccc4ccncc43)C[C@H]21 ZINC001042297408 691560731 /nfs/dbraw/zinc/56/07/31/691560731.db2.gz ONIGVXLAOYCNGK-VQIMIIECSA-N 0 3 319.408 2.404 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cn(C(C)C)nc3C)C[C@@H]21 ZINC001042311345 691565891 /nfs/dbraw/zinc/56/58/91/691565891.db2.gz JHGQUBGRRPUYKX-RDJZCZTQSA-N 0 3 316.449 2.495 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)COc3ccsc3)C[C@@H]21 ZINC001042312986 691566684 /nfs/dbraw/zinc/56/66/84/691566684.db2.gz GXEQZTBENLBJOH-HIFRSBDPSA-N 0 3 306.431 2.236 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)C[C@@H]21 ZINC001042336152 691574584 /nfs/dbraw/zinc/57/45/84/691574584.db2.gz SLKFDZCDRSTKPF-QAPCUYQASA-N 0 3 313.445 2.475 20 30 DEEDHN CN(C(=O)Nc1nc(Cl)c(C#N)s1)[C@H]1CCCN(C)C1 ZINC000931725082 694465073 /nfs/dbraw/zinc/46/50/73/694465073.db2.gz NQRCNLFBQCKFGE-QMMMGPOBSA-N 0 3 313.814 2.226 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001042348770 691579021 /nfs/dbraw/zinc/57/90/21/691579021.db2.gz DZBSXQQHWAHKDT-AZUAARDMSA-N 0 3 322.452 2.274 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@H]21 ZINC001042373148 691585791 /nfs/dbraw/zinc/58/57/91/691585791.db2.gz FGFYULQANRVZPI-RJGWXTLFSA-N 0 3 300.446 2.387 20 30 DEEDHN CC[C@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884058164 691643413 /nfs/dbraw/zinc/64/34/13/691643413.db2.gz CQAVMRQATDWFAP-BBPFYFEFSA-N 0 3 311.429 2.436 20 30 DEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(F)cc1 ZINC000884102548 691655336 /nfs/dbraw/zinc/65/53/36/691655336.db2.gz GWJJMQFLAZLOGF-PBIRYHDKSA-N 0 3 315.392 2.185 20 30 DEEDHN CCS[C@H]1CCCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884135100 691663196 /nfs/dbraw/zinc/66/31/96/691663196.db2.gz ASTQPUSQZFHALI-DGNOSDGRSA-N 0 3 321.490 2.260 20 30 DEEDHN C[C@@H]1CCCC[C@H]1CCNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884134666 691663249 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CC[C@@H]1Cc2ccccc2CN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884315759 691708130 /nfs/dbraw/zinc/70/81/30/691708130.db2.gz ZVTFAHYWTIQGKG-SFANZJOMSA-N 0 3 323.440 2.489 20 30 DEEDHN C[C@H]1CC(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)C[C@H](C)C1 ZINC000884401429 691729567 /nfs/dbraw/zinc/72/95/67/691729567.db2.gz PNCLIDSFLAKMCK-HSVUNTSNSA-N 0 3 303.450 2.314 20 30 DEEDHN Cc1ccc2c(c1)[C@@H](NC(=O)C1CC3(C1)CNC[C@H]3C#N)[C@H](C)C2 ZINC000884410751 691732188 /nfs/dbraw/zinc/73/21/88/691732188.db2.gz SAMOSBZXESBPFM-QOQYCONBSA-N 0 3 323.440 2.484 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC001044963116 691921026 /nfs/dbraw/zinc/92/10/26/691921026.db2.gz WWTQXKSDZQZOFK-NHYWBVRUSA-N 0 3 307.344 2.205 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H]1CNCc1cccc(Cl)n1 ZINC001045030831 691932155 /nfs/dbraw/zinc/93/21/55/691932155.db2.gz XNLWFBJAXIWCRK-HNNXBMFYSA-N 0 3 317.820 2.229 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2cnn(C3CCC3)c2)CC1 ZINC001045438038 691980717 /nfs/dbraw/zinc/98/07/17/691980717.db2.gz 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C#CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)C1CCN(C)CC1 ZINC000886582180 692117741 /nfs/dbraw/zinc/11/77/41/692117741.db2.gz IXHXNFQLAHRSLU-UHFFFAOYSA-N 0 3 315.373 2.073 20 30 DEEDHN C#CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CCN(C)CC1 ZINC000886585153 692118393 /nfs/dbraw/zinc/11/83/93/692118393.db2.gz KAHJQKBJBYMSMN-UHFFFAOYSA-N 0 3 314.216 2.491 20 30 DEEDHN C#CCN(C(=O)c1ccn(-c2ccccc2)n1)C1CCN(C)CC1 ZINC000886583546 692118428 /nfs/dbraw/zinc/11/84/28/692118428.db2.gz URNWYANGUJCIQU-UHFFFAOYSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C(=O)CN(CC)c1ccccc1)C1CCN(C)CC1 ZINC000886583271 692119003 /nfs/dbraw/zinc/11/90/03/692119003.db2.gz JDLAUZJPQXOTTP-UHFFFAOYSA-N 0 3 313.445 2.069 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)Oc1cccc(F)c1)C1CCN(C)CC1 ZINC000886585466 692119419 /nfs/dbraw/zinc/11/94/19/692119419.db2.gz XJEOJGNYDKYAJN-CQSZACIVSA-N 0 3 318.392 2.149 20 30 DEEDHN C#CCN(C(=O)c1cnn(-c2ccccc2)c1)C1CCN(C)CC1 ZINC000886587121 692119776 /nfs/dbraw/zinc/11/97/76/692119776.db2.gz HSWOTGWGASNCFK-UHFFFAOYSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C(=O)COc1ccc(CC)cc1)C1CCN(C)CC1 ZINC000886589002 692120117 /nfs/dbraw/zinc/12/01/17/692120117.db2.gz GELRLCZGBOXTEB-UHFFFAOYSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCN(C(=O)COc1ccccc1CC)C1CCN(C)CC1 ZINC000886589165 692120206 /nfs/dbraw/zinc/12/02/06/692120206.db2.gz LRSOKRICDNEJNL-UHFFFAOYSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCN(C)CC1 ZINC000886589590 692120614 /nfs/dbraw/zinc/12/06/14/692120614.db2.gz ZRGWDFIRPKVBNB-UHFFFAOYSA-N 0 3 315.373 2.073 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001046352190 692163074 /nfs/dbraw/zinc/16/30/74/692163074.db2.gz RZUHYHGRXUNRMZ-YOEHRIQHSA-N 0 3 302.422 2.072 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc3ccccc3n2)C1 ZINC001046374996 692170224 /nfs/dbraw/zinc/17/02/24/692170224.db2.gz LIINHKLRUGPJPE-SFHVURJKSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001046379138 692171952 /nfs/dbraw/zinc/17/19/52/692171952.db2.gz 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CC[C@H](F)C(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001048986077 692736037 /nfs/dbraw/zinc/73/60/37/692736037.db2.gz VOXSFNVOXIRQNN-BBWFWOEESA-N 0 3 315.392 2.197 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3c(F)ccc(F)c3F)C[C@@H]2C1 ZINC001049017015 692744367 /nfs/dbraw/zinc/74/43/67/692744367.db2.gz XHKNVBXXRVHWPD-TXEJJXNPSA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)C[C@@H]2C1 ZINC001049080130 692757833 /nfs/dbraw/zinc/75/78/33/692757833.db2.gz MKAKJCNTXKNFCH-YYIAUSFCSA-N 0 3 300.446 2.226 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc4ccccc4n3)C[C@@H]2C1 ZINC001049186659 692785135 /nfs/dbraw/zinc/78/51/35/692785135.db2.gz WVYYZZWEVRZYCR-CALCHBBNSA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCCO1 ZINC001049343480 692846733 /nfs/dbraw/zinc/84/67/33/692846733.db2.gz AMNOIYGQPCKKBK-IXDOHACOSA-N 0 3 304.434 2.034 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncnc1C ZINC001049350611 692849531 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/nfs/dbraw/zinc/37/38/71/1162373871.db2.gz AHEAYHWPHUIIQJ-IHRRRGAJSA-N 0 3 307.344 2.182 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2ccccc2F)C1 ZINC001402638200 1162421702 /nfs/dbraw/zinc/42/17/02/1162421702.db2.gz LDFMINCQKUPXTQ-TXEJJXNPSA-N 0 3 312.772 2.194 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001480436204 1151804697 /nfs/dbraw/zinc/80/46/97/1151804697.db2.gz PEVPTKLHNIDGNK-MEDUHNTESA-N 0 3 324.371 2.249 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC001300395892 1151850094 /nfs/dbraw/zinc/85/00/94/1151850094.db2.gz GOMFGMWIHMICHB-ZNMIVQPWSA-N 0 3 322.449 2.051 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC=C)cc1 ZINC001357205227 1152269678 /nfs/dbraw/zinc/26/96/78/1152269678.db2.gz URWRBBOFUIMIHV-OAHLLOKOSA-N 0 3 301.390 2.225 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2c[nH]cn2)CCCC1 ZINC001378690081 1152416323 /nfs/dbraw/zinc/41/63/23/1152416323.db2.gz DGBSUMHRRBJJLO-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC001402828383 1162486716 /nfs/dbraw/zinc/48/67/16/1162486716.db2.gz LSIRNTYECWEPLB-LBPRGKRZSA-N 0 3 312.845 2.489 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001358939580 1152530442 /nfs/dbraw/zinc/53/04/42/1152530442.db2.gz ZMHJHBTZCJAQQB-HNNXBMFYSA-N 0 3 313.405 2.086 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H](C)SC)C1 ZINC001380152752 1152758092 /nfs/dbraw/zinc/75/80/92/1152758092.db2.gz OZGMXCUNOVNFRB-KPPDAEKUSA-N 0 3 321.284 2.226 20 30 DEEDHN COC(=O)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC001362325264 1152877942 /nfs/dbraw/zinc/87/79/42/1152877942.db2.gz HGVAUBZIDDXVLE-AWEZNQCLSA-N 0 3 302.374 2.217 20 30 DEEDHN COCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001381403400 1153042137 /nfs/dbraw/zinc/04/21/37/1153042137.db2.gz HBTVIXSUZWDJOH-NWDGAFQWSA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)CCOc1ccccc1 ZINC001402904168 1162527530 /nfs/dbraw/zinc/52/75/30/1162527530.db2.gz MFRXISLHTXDTPQ-JKSUJKDBSA-N 0 3 315.417 2.148 20 30 DEEDHN CC(C)[C@H](CCN(C)C(=O)[C@@H](C)C#N)NCc1nccs1 ZINC001381724426 1153196705 /nfs/dbraw/zinc/19/67/05/1153196705.db2.gz ZNTNGOQVTCPKKH-STQMWFEESA-N 0 3 308.451 2.265 20 30 DEEDHN Cc1ccc(F)c(CN2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)c1 ZINC001381880890 1153261200 /nfs/dbraw/zinc/26/12/00/1153261200.db2.gz MSNSWNIWSKUKMF-MIGQKNRLSA-N 0 3 315.392 2.088 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccncn1 ZINC001389343351 1155314743 /nfs/dbraw/zinc/31/47/43/1155314743.db2.gz JACGTQDJSLSQAH-OCCSQVGLSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)[C@@H]2CCCO2)C1 ZINC001390005455 1155496649 /nfs/dbraw/zinc/49/66/49/1155496649.db2.gz LRSQLMIFHWGTTM-DEQVHRJGSA-N 0 3 300.830 2.181 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)CCOC1CCCCCC1 ZINC001403111388 1162730963 /nfs/dbraw/zinc/73/09/63/1162730963.db2.gz DTCMNUWFENBNTF-HUUCEWRRSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1ccc(F)cc1 ZINC001403116044 1162740664 /nfs/dbraw/zinc/74/06/64/1162740664.db2.gz KVCHRSFNNJHINB-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 ZINC001391346614 1156347799 /nfs/dbraw/zinc/34/77/99/1156347799.db2.gz LCWONUUWZVLMOR-GFCCVEGCSA-N 0 3 310.829 2.119 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](F)CC)NCc1cc(C#N)ccc1OC ZINC001391722679 1156739908 /nfs/dbraw/zinc/73/99/08/1156739908.db2.gz UQDUKVVUMOTWRY-CABCVRRESA-N 0 3 321.396 2.299 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](CC)NCc1cc(C#N)ccc1OC ZINC001391722685 1156741094 /nfs/dbraw/zinc/74/10/94/1156741094.db2.gz UQDUKVVUMOTWRY-LSDHHAIUSA-N 0 3 321.396 2.299 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCO[C@@H]2C)CCCC1 ZINC001391769813 1156794548 /nfs/dbraw/zinc/79/45/48/1156794548.db2.gz LUAZRARGJXHYAU-CHWSQXEVSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@@H]1C[C@H]1C ZINC001391928512 1156835446 /nfs/dbraw/zinc/83/54/46/1156835446.db2.gz DONVIZMLDXHZCQ-HWWQOWPSSA-N 0 3 303.381 2.195 20 30 DEEDHN Cc1nc(CCN2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)cs1 ZINC001393059419 1157641752 /nfs/dbraw/zinc/64/17/52/1157641752.db2.gz UTKMVGXOSFLTJI-LBPRGKRZSA-N 0 3 320.462 2.124 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2[nH]cnc2CC)CCCC1 ZINC001374178532 1157693764 /nfs/dbraw/zinc/69/37/64/1157693764.db2.gz ZJBQJYPLYYRDIU-UHFFFAOYSA-N 0 3 310.829 2.357 20 30 DEEDHN COCCC(=O)N1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC001403459482 1162889445 /nfs/dbraw/zinc/88/94/45/1162889445.db2.gz LUCZLWQWPSXKJL-UHFFFAOYSA-N 0 3 321.446 2.079 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)CC1CC1)C(C)C ZINC001374406126 1157836813 /nfs/dbraw/zinc/83/68/13/1157836813.db2.gz HJULNTHDAUWGSR-LBPRGKRZSA-N 0 3 303.244 2.426 20 30 DEEDHN Cc1ccc(CN(C)CCN(C)C(=O)c2cc(C#N)c[nH]2)cc1 ZINC001374481316 1157870667 /nfs/dbraw/zinc/87/06/67/1157870667.db2.gz YKFKEDGPZAXXGR-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN Cc1ncc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)s1 ZINC001374736935 1157994488 /nfs/dbraw/zinc/99/44/88/1157994488.db2.gz IHGNHZXMOOSGBS-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN Cc1cocc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001374922983 1158093851 /nfs/dbraw/zinc/09/38/51/1158093851.db2.gz YCHUMWMOXOPTJH-NSHDSACASA-N 0 3 303.387 2.429 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)CCOc1ccccc1Cl ZINC001375020421 1158210979 /nfs/dbraw/zinc/21/09/79/1158210979.db2.gz NVJWGISKNGHXNB-STQMWFEESA-N 0 3 323.824 2.315 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCCCO1 ZINC001375026341 1158216138 /nfs/dbraw/zinc/21/61/38/1158216138.db2.gz WLVXVLABNJWSHW-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1cccc(CN(C)C[C@H](C)NC(=O)c2ccc(C#N)[nH]2)c1 ZINC001375031362 1158223945 /nfs/dbraw/zinc/22/39/45/1158223945.db2.gz SMGNQRPWFCGOTP-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2c[nH]nc2C)CCCCC1 ZINC001394178438 1158350380 /nfs/dbraw/zinc/35/03/80/1158350380.db2.gz BLHKHBFNZSLLBN-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001394279824 1158403859 /nfs/dbraw/zinc/40/38/59/1158403859.db2.gz CRQPSPBTKWXBRF-CYBMUJFWSA-N 0 3 313.873 2.050 20 30 DEEDHN Cc1oncc1CN1CC[C@H](NC(=O)[C@H](C)C#N)CC(C)(C)C1 ZINC001375695565 1158850621 /nfs/dbraw/zinc/85/06/21/1158850621.db2.gz XABQPNNCUNCBHW-DOMZBBRYSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COc2ccccc2F)C1 ZINC001376411765 1159394634 /nfs/dbraw/zinc/39/46/34/1159394634.db2.gz LDFMINCQKUPXTQ-HAQNSBGRSA-N 0 3 312.772 2.194 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)CCCF)C1 ZINC001376936152 1159850845 /nfs/dbraw/zinc/85/08/45/1159850845.db2.gz FBZAPERGXDIYMP-CQSZACIVSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1OCC ZINC001397162715 1160026225 /nfs/dbraw/zinc/02/62/25/1160026225.db2.gz SKOFGTSKCBEDEB-UZVIJOLCSA-N 0 3 314.857 2.238 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1=CCOCC1 ZINC001398223645 1160825612 /nfs/dbraw/zinc/82/56/12/1160825612.db2.gz XLQSBBCMHFFWBJ-ZFWWWQNUSA-N 0 3 312.841 2.445 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1cn[nH]c1 ZINC001377964308 1160885454 /nfs/dbraw/zinc/88/54/54/1160885454.db2.gz FPNIJBYBJMJPEE-UHFFFAOYSA-N 0 3 312.845 2.169 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001399425610 1161387724 /nfs/dbraw/zinc/38/77/24/1161387724.db2.gz GFAAWLFBVDQORN-LBPRGKRZSA-N 0 3 320.824 2.493 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001401940063 1162190136 /nfs/dbraw/zinc/19/01/36/1162190136.db2.gz MOHNSORVOLATTC-IAQYHMDHSA-N 0 3 301.365 2.211 20 30 DEEDHN Cc1ccncc1CN1CCC(C)(NC(=O)[C@H](C)C#N)CC1 ZINC001402073009 1162236378 /nfs/dbraw/zinc/23/63/78/1162236378.db2.gz JYURBQCCZOGVPZ-CQSZACIVSA-N 0 3 300.406 2.020 20 30 DEEDHN CCc1nc(C)c(CNCC2(NC(=O)[C@@H](C)C#N)CCCC2)o1 ZINC001405360827 1164063031 /nfs/dbraw/zinc/06/30/31/1164063031.db2.gz MRUFJASUVPULNY-LBPRGKRZSA-N 0 3 318.421 2.224 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1nccs1 ZINC001406405380 1164571919 /nfs/dbraw/zinc/57/19/19/1164571919.db2.gz HQCUXQFTWPOAJC-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CC(C)CO[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001406465764 1164622861 /nfs/dbraw/zinc/62/28/61/1164622861.db2.gz OMCVNHVRNFZNOD-QWHCGFSZSA-N 0 3 323.462 2.275 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)CC(C)C)CC2)cc1C#N ZINC001406891738 1164871283 /nfs/dbraw/zinc/87/12/83/1164871283.db2.gz ALUYXZQEGZIHLG-UHFFFAOYSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(C)CCN(CCC(F)(F)F)CC1 ZINC001407263173 1165073585 /nfs/dbraw/zinc/07/35/85/1165073585.db2.gz PBTYQJKMFQIQBX-NSHDSACASA-N 0 3 305.344 2.317 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H](F)CC)C1 ZINC001417767085 1167198703 /nfs/dbraw/zinc/19/87/03/1167198703.db2.gz FKSNRYPVHPPELC-OUAUKWLOSA-N 0 3 307.207 2.128 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001417805414 1167225750 /nfs/dbraw/zinc/22/57/50/1167225750.db2.gz YVHXQHFUENQZHS-UQXBMPASSA-N 0 3 304.221 2.340 20 30 DEEDHN CCCC(=O)NCC1CC(NCc2cc(C#N)ccc2OC)C1 ZINC001417867132 1167271902 /nfs/dbraw/zinc/27/19/02/1167271902.db2.gz IVMALWQPICXVJK-UHFFFAOYSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001417900790 1167293281 /nfs/dbraw/zinc/29/32/81/1167293281.db2.gz PDUJKFRSARRFOA-GXTWGEPZSA-N 0 3 310.829 2.145 20 30 DEEDHN CO[C@H](C)CC(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001417966190 1167333755 /nfs/dbraw/zinc/33/37/55/1167333755.db2.gz BCIDLRACRYQAIC-IAQYHMDHSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001418017961 1167364516 /nfs/dbraw/zinc/36/45/16/1167364516.db2.gz BZJYVISWQDSVGV-UONOGXRCSA-N 0 3 320.412 2.418 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCOc2ccccc2)C1 ZINC001418075847 1167397866 /nfs/dbraw/zinc/39/78/66/1167397866.db2.gz KHCBTCRQOLRGMW-HDJSIYSDSA-N 0 3 308.809 2.445 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001418121025 1167423375 /nfs/dbraw/zinc/42/33/75/1167423375.db2.gz HCQCAITWYWDCJO-GXTWGEPZSA-N 0 3 318.421 2.033 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001418409860 1167634197 /nfs/dbraw/zinc/63/41/97/1167634197.db2.gz FKOLOFMPLYRTHK-BNOWGMLFSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn(CC2CC2)c1 ZINC001418425702 1167646781 /nfs/dbraw/zinc/64/67/81/1167646781.db2.gz XSCMYAQSUAHSTR-LBPRGKRZSA-N 0 3 310.829 2.144 20 30 DEEDHN CCCN(CCNC(=O)[C@H]1CCCO1)Cc1cccc(C#N)c1 ZINC001418695395 1167892332 /nfs/dbraw/zinc/89/23/32/1167892332.db2.gz COLBXBXUQYOGKR-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001418704739 1167897975 /nfs/dbraw/zinc/89/79/75/1167897975.db2.gz QAIGLDWAXFOUCL-UMVBOHGHSA-N 0 3 300.830 2.040 20 30 DEEDHN CC[C@@H](SC)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001419729508 1168823726 /nfs/dbraw/zinc/82/37/26/1168823726.db2.gz NJJZFIAXRDSFON-IAQYHMDHSA-N 0 3 323.437 2.433 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)C(C)(C)C)cc1C#N ZINC001419905289 1168899253 /nfs/dbraw/zinc/89/92/53/1168899253.db2.gz HTCXDSFJGUZQIG-LBPRGKRZSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccc2c(c1)CCO2 ZINC001420119510 1169175410 /nfs/dbraw/zinc/17/54/10/1169175410.db2.gz IDHIHCYUNQAIEE-ZDUSSCGKSA-N 0 3 322.836 2.401 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001420269481 1169302959 /nfs/dbraw/zinc/30/29/59/1169302959.db2.gz MABWXUPOTBHMEH-GHMZBOCLSA-N 0 3 309.410 2.043 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)c(C)[nH]1 ZINC001420347327 1169386364 /nfs/dbraw/zinc/38/63/64/1169386364.db2.gz RWNHXUWWEOPXGB-LLVKDONJSA-N 0 3 316.430 2.473 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001420482787 1169634763 /nfs/dbraw/zinc/63/47/63/1169634763.db2.gz XKWKCZNNLUTPTK-BBRMVZONSA-N 0 3 303.381 2.396 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001420764242 1171126512 /nfs/dbraw/zinc/12/65/12/1171126512.db2.gz ITLMLZXLCBDGAG-GDBMZVCRSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@@](C)(O)C2CC2)CCCC1 ZINC001421503187 1171824668 /nfs/dbraw/zinc/82/46/68/1171824668.db2.gz HZLKHJSZXYYCSX-OAHLLOKOSA-N 0 3 314.857 2.309 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)c1c[nH]cn1)C(C)C ZINC001422139217 1172335731 /nfs/dbraw/zinc/33/57/31/1172335731.db2.gz YWTCHMKQFQOTAK-LBPRGKRZSA-N 0 3 312.845 2.170 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCC(O)(c2nccn2C)CC1 ZINC001422194518 1172383691 /nfs/dbraw/zinc/38/36/91/1172383691.db2.gz LWQOJIVULVQOJH-UHFFFAOYSA-N 0 3 310.401 2.084 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001422262544 1172447345 /nfs/dbraw/zinc/44/73/45/1172447345.db2.gz BVBWEGKUXMJRRD-UHFFFAOYSA-N 0 3 322.840 2.148 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC12CC2 ZINC001422705465 1172820085 /nfs/dbraw/zinc/82/00/85/1172820085.db2.gz NEHVDJKGHLKJBW-SMDDNHRTSA-N 0 3 301.365 2.092 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)c2cc[nH]c2)C2CC2)s1 ZINC001422990107 1173002313 /nfs/dbraw/zinc/00/23/13/1173002313.db2.gz BBYYJHKYBNJDDE-OAHLLOKOSA-N 0 3 314.414 2.246 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001423003090 1173009178 /nfs/dbraw/zinc/00/91/78/1173009178.db2.gz BBOMLWYPGMBEPX-ZBFHGGJFSA-N 0 3 321.371 2.430 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001423003079 1173009296 /nfs/dbraw/zinc/00/92/96/1173009296.db2.gz BBOMLWYPGMBEPX-GOEBONIOSA-N 0 3 321.371 2.430 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)CCCF)C2CC2)s1 ZINC001423013975 1173015891 /nfs/dbraw/zinc/01/58/91/1173015891.db2.gz VLOFIIBWFLQEPI-AWEZNQCLSA-N 0 3 309.410 2.354 20 30 DEEDHN C=C(Cl)CN1CCC[C@@](C)(CNC(=O)CN2CCCC2)C1 ZINC001423708997 1173505739 /nfs/dbraw/zinc/50/57/39/1173505739.db2.gz XUNWAVRNAXTIFQ-INIZCTEOSA-N 0 3 313.873 2.053 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC001424730675 1173890233 /nfs/dbraw/zinc/89/02/33/1173890233.db2.gz YJSHVRJJRNDJKY-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H](C)NC(=O)C(C)(C)F ZINC001424758838 1173905889 /nfs/dbraw/zinc/90/58/89/1173905889.db2.gz PTPXOCMJJABJMA-NEPJUHHUSA-N 0 3 321.396 2.298 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)CCc1c[nH]cn1)C(C)(C)C ZINC001426154958 1174621571 /nfs/dbraw/zinc/62/15/71/1174621571.db2.gz TVUDGKONKVPFLH-CYBMUJFWSA-N 0 3 312.845 2.215 20 30 DEEDHN CN1C[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C(C)(C)C1 ZINC001434381073 1178425234 /nfs/dbraw/zinc/42/52/34/1178425234.db2.gz NXUVZNBMRORSTE-HNNXBMFYSA-N 0 3 317.408 2.431 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCC(O)(c2ccnn2C)CC1 ZINC001434483568 1178647115 /nfs/dbraw/zinc/64/71/15/1178647115.db2.gz BQRFQGZIFHALIA-UHFFFAOYSA-N 0 3 310.401 2.084 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(O)(c2nccn2C)CC1 ZINC001434486883 1178652462 /nfs/dbraw/zinc/65/24/62/1178652462.db2.gz ACMILDTUXWIIHW-AWEZNQCLSA-N 0 3 310.401 2.336 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001436368064 1179064964 /nfs/dbraw/zinc/06/49/64/1179064964.db2.gz UPFOIZQCXJEQEI-MELADBBJSA-N 0 3 323.824 2.086 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1OCC ZINC001436424576 1179091903 /nfs/dbraw/zinc/09/19/03/1179091903.db2.gz OUUMWWIVDOXTFD-ZIAGYGMSSA-N 0 3 314.857 2.382 20 30 DEEDHN C[C@H](CNC(=O)C1(C2CC2)CC1)NCc1ccc(C#N)c(F)c1 ZINC001437145056 1179483590 /nfs/dbraw/zinc/48/35/90/1179483590.db2.gz AMESCDIIBHGJEJ-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccsn1 ZINC001438668251 1180737271 /nfs/dbraw/zinc/73/72/71/1180737271.db2.gz OVHFSQAEPSAGPD-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@H]1C[C@@H]1C)C(C)C ZINC001438822630 1180821781 /nfs/dbraw/zinc/82/17/81/1180821781.db2.gz RYDWSWUYUNXGSA-DLOVCJGASA-N 0 3 303.244 2.281 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccncc1 ZINC001439185891 1180921005 /nfs/dbraw/zinc/92/10/05/1180921005.db2.gz WDAVQJXNJPAVIR-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)c1ncccc1F ZINC001439262170 1180975299 /nfs/dbraw/zinc/97/52/99/1180975299.db2.gz CTOWSVCKBNVSQQ-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccncc1 ZINC001439299923 1181001128 /nfs/dbraw/zinc/00/11/28/1181001128.db2.gz QKBNCYJOWGZTSD-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439410088 1181078331 /nfs/dbraw/zinc/07/83/31/1181078331.db2.gz PARCPZBAHUCMIX-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C(C)(C)C)CC2)cc1C#N ZINC001439664366 1181191909 /nfs/dbraw/zinc/19/19/09/1181191909.db2.gz ZZPLKDNFPUBNRB-UHFFFAOYSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001440758476 1181676740 /nfs/dbraw/zinc/67/67/40/1181676740.db2.gz CDCGBSNBJICBJE-UHFFFAOYSA-N 0 3 324.856 2.394 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001441369699 1181960047 /nfs/dbraw/zinc/96/00/47/1181960047.db2.gz MKEMXCOCPWMJIK-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001441464825 1182007784 /nfs/dbraw/zinc/00/77/84/1182007784.db2.gz HJKAZXARDKQCBF-TUKIKUTGSA-N 0 3 303.381 2.480 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001441736786 1182141757 /nfs/dbraw/zinc/14/17/57/1182141757.db2.gz VYKISILARCOMSO-NFLYEBQJSA-N 0 3 304.221 2.482 20 30 DEEDHN CCc1onc(C)c1CNC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001442158008 1182350356 /nfs/dbraw/zinc/35/03/56/1182350356.db2.gz ZVLMWMOMCLXJFJ-XHDPSFHLSA-N 0 3 320.437 2.326 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1 ZINC001444077637 1183280300 /nfs/dbraw/zinc/28/03/00/1183280300.db2.gz FJLPHGJBVWJYTI-MCIONIFRSA-N 0 3 312.841 2.325 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2ncc[nH]2)CCCC[C@H]1C ZINC001444157245 1183303383 /nfs/dbraw/zinc/30/33/83/1183303383.db2.gz QWJLLKCOQUFTDK-WBMJQRKESA-N 0 3 324.856 2.359 20 30 DEEDHN COCC(=O)NCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC001444193585 1183312581 /nfs/dbraw/zinc/31/25/81/1183312581.db2.gz USCWJJVMKDHBNE-UHFFFAOYSA-N 0 3 323.396 2.111 20 30 DEEDHN COc1cccc([C@H](C)N(C)CCN(C)C(=O)[C@@H](C)C#N)c1 ZINC001444956026 1183670422 /nfs/dbraw/zinc/67/04/22/1183670422.db2.gz MVWOCILJNFOITR-KBPBESRZSA-N 0 3 303.406 2.306 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001445416593 1183865657 /nfs/dbraw/zinc/86/56/57/1183865657.db2.gz HRKBTDWIXLNKMN-BXUZGUMPSA-N 0 3 309.435 2.029 20 30 DEEDHN Cc1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C3)o1 ZINC001446960864 1184593683 /nfs/dbraw/zinc/59/36/83/1184593683.db2.gz RZJGOUIBXZDUHU-REBRKWNGSA-N 0 3 316.405 2.002 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001447605392 1184823288 /nfs/dbraw/zinc/82/32/88/1184823288.db2.gz YJKSNXFTGIBSIQ-ZIAGYGMSSA-N 0 3 314.857 2.118 20 30 DEEDHN CN(C)[C@@H]1CCC[C@H]1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001448077524 1185061917 /nfs/dbraw/zinc/06/19/17/1185061917.db2.gz GLMPBPRCPSKZQK-TYJMOYENSA-N 0 3 304.365 2.007 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccco1)N(C)Cc1ccc(C#N)cc1 ZINC001448106444 1185080049 /nfs/dbraw/zinc/08/00/49/1185080049.db2.gz UDBKDDAVSUSZQJ-CQSZACIVSA-N 0 3 311.385 2.330 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2ccncc2C)C1 ZINC001448500977 1185260089 /nfs/dbraw/zinc/26/00/89/1185260089.db2.gz YIZXLUQBWYDHIS-CTYIDZIISA-N 0 3 307.825 2.169 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(OC(C)C)n1 ZINC001448881127 1185445314 /nfs/dbraw/zinc/44/53/14/1185445314.db2.gz GVIVGODOCODSGC-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](OCC)C(C)C)C1 ZINC001449378707 1185687436 /nfs/dbraw/zinc/68/74/36/1185687436.db2.gz HXSLDPJARAYOOR-RUXDESIVSA-N 0 3 302.846 2.379 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](NCc2cncs2)C[C@H]1C ZINC001331969116 1149802066 /nfs/dbraw/zinc/80/20/66/1149802066.db2.gz KDVQTWFDSSSLPP-KGLIPLIRSA-N 0 3 323.462 2.205 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)CC(F)(F)F)CCC[C@@H]12 ZINC001332099931 1149819510 /nfs/dbraw/zinc/81/95/10/1149819510.db2.gz MELCLWIHRTVXRP-YRGRVCCFSA-N 0 3 302.340 2.321 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCOc3ccccc3)CCC[C@@H]12 ZINC001332121270 1149822044 /nfs/dbraw/zinc/82/20/44/1149822044.db2.gz YJFHXPLYQRBNIV-MJGOQNOKSA-N 0 3 312.413 2.202 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCOCC(F)(F)F)[C@@H]1C ZINC001332183099 1149831295 /nfs/dbraw/zinc/83/12/95/1149831295.db2.gz ALGBICJGVYMUBB-RYUDHWBXSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C4CC4)nn3CC)C2)C1 ZINC001072842843 790269208 /nfs/dbraw/zinc/26/92/08/790269208.db2.gz DYGOIWCWKFZJND-UHFFFAOYSA-N 0 3 314.433 2.114 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNCc1nccs1 ZINC001106109807 782250422 /nfs/dbraw/zinc/25/04/22/782250422.db2.gz WMHLBTLPJOMJSK-ZIAGYGMSSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2cccnc2)C(C)(C)C1 ZINC001332454872 1149861492 /nfs/dbraw/zinc/86/14/92/1149861492.db2.gz WCJWVCMNSVVFAS-INIZCTEOSA-N 0 3 317.433 2.001 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(CC)[nH]c(=O)c1)C(C)C ZINC001332720847 1149884098 /nfs/dbraw/zinc/88/40/98/1149884098.db2.gz XQKUSKSOPUSZSS-UHFFFAOYSA-N 0 3 317.433 2.155 20 30 DEEDHN C=CCN(C)CCN(C(=O)CN1CCc2ccccc21)C(C)C ZINC001332741041 1149887289 /nfs/dbraw/zinc/88/72/89/1149887289.db2.gz RVVBMGKSXRIGIK-UHFFFAOYSA-N 0 3 315.461 2.404 20 30 DEEDHN Cn1cc(CNC[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C)cn1 ZINC001332789606 1149892658 /nfs/dbraw/zinc/89/26/58/1149892658.db2.gz LFDZPDREOMDGRQ-HNNXBMFYSA-N 0 3 318.465 2.090 20 30 DEEDHN C#CCCN(CCNC(=O)c1csc(Cl)c1)CCOC ZINC001332927069 1149926099 /nfs/dbraw/zinc/92/60/99/1149926099.db2.gz BDWBZLCXLYAAQK-UHFFFAOYSA-N 0 3 314.838 2.103 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](CNCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001106609464 782810641 /nfs/dbraw/zinc/81/06/41/782810641.db2.gz BAMQZYWBMAUXPN-GDBMZVCRSA-N 0 3 318.465 2.269 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnnc(C)c2)CC(C)(C)C1 ZINC001089367488 783050743 /nfs/dbraw/zinc/05/07/43/783050743.db2.gz HTGSYXOTQVISCP-MRXNPFEDSA-N 0 3 314.433 2.029 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c2OCCO3)C[C@@H]1C ZINC000947364930 783117651 /nfs/dbraw/zinc/11/76/51/783117651.db2.gz FJWUVPHLYILZRR-UONOGXRCSA-N 0 3 316.401 2.227 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C3CC3)on2)CC(C)(C)C1 ZINC001089452745 783119714 /nfs/dbraw/zinc/11/97/14/783119714.db2.gz FUVTZWYYABLUMC-AWEZNQCLSA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)C[C@H]1C ZINC000947469011 783145264 /nfs/dbraw/zinc/14/52/64/783145264.db2.gz UOKJFTMMXUYZHS-ZIAGYGMSSA-N 0 3 312.417 2.342 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H]1C ZINC000947487555 783150437 /nfs/dbraw/zinc/15/04/37/783150437.db2.gz FXBYHSXYNQYQRV-KBPBESRZSA-N 0 3 316.449 2.313 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ocnc2CC)CC(C)(C)C1 ZINC001089487149 783152843 /nfs/dbraw/zinc/15/28/43/783152843.db2.gz IJLRHJNRRVQRPE-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)nn2CC)CC(C)(C)C1 ZINC001089499347 783165941 /nfs/dbraw/zinc/16/59/41/783165941.db2.gz DNAOAUCMDLSSOZ-OAHLLOKOSA-N 0 3 316.449 2.065 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3n2)C[C@H]1C ZINC000947540673 783166474 /nfs/dbraw/zinc/16/64/74/783166474.db2.gz WWPASNVYSXUTLR-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2sc(C)nc2C)C[C@H]1C ZINC000947561174 783174731 /nfs/dbraw/zinc/17/47/31/783174731.db2.gz XFQVHRYJJDJYOU-DOMZBBRYSA-N 0 3 319.474 2.295 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)C[C@@H]1C ZINC000947584005 783180679 /nfs/dbraw/zinc/18/06/79/783180679.db2.gz CIIDCHXKTSZRMW-HOCLYGCPSA-N 0 3 311.429 2.483 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C[C@@H]1C ZINC000947588978 783182807 /nfs/dbraw/zinc/18/28/07/783182807.db2.gz JMWVGAGETGMUQD-GJZGRUSLSA-N 0 3 315.417 2.010 20 30 DEEDHN CCC/C=C\CCN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212241802 783192020 /nfs/dbraw/zinc/19/20/20/783192020.db2.gz ZBSOYGQMMFZNBM-PMKBXARWSA-N 0 3 306.450 2.208 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnc(C)n2)CC(C)(C)C1 ZINC001089561132 783208831 /nfs/dbraw/zinc/20/88/31/783208831.db2.gz 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/nfs/dbraw/zinc/71/31/61/776713161.db2.gz AHTZYKCIZBIWPI-UHFFFAOYSA-N 0 3 317.820 2.305 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001171044419 790481859 /nfs/dbraw/zinc/48/18/59/790481859.db2.gz YCCAPMKVSLWOMA-CYBMUJFWSA-N 0 3 307.442 2.234 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC001073140317 790482319 /nfs/dbraw/zinc/48/23/19/790482319.db2.gz GUMNXMCBCYTGJD-UHFFFAOYSA-N 0 3 300.377 2.305 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001171044421 790482614 /nfs/dbraw/zinc/48/26/14/790482614.db2.gz YCCAPMKVSLWOMA-ZDUSSCGKSA-N 0 3 307.442 2.234 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cn(CC)nc2C)CC1 ZINC001167348663 776937778 /nfs/dbraw/zinc/93/77/78/776937778.db2.gz PXMDGRHYMSRNMV-UHFFFAOYSA-N 0 3 324.856 2.454 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCNCc1cc(OC)ns1 ZINC001167363193 776952335 /nfs/dbraw/zinc/95/23/35/776952335.db2.gz PZPBTAIGAXEVNX-UHFFFAOYSA-N 0 3 311.451 2.350 20 30 DEEDHN Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)s1 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ZINC001076564931 781311459 /nfs/dbraw/zinc/31/14/59/781311459.db2.gz RKXGQPRGACCXHX-FUHWJXTLSA-N 0 3 314.429 2.401 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)[C@H]1C ZINC001088836823 781389657 /nfs/dbraw/zinc/38/96/57/781389657.db2.gz ZWCPDQWXMSNLMD-KGLIPLIRSA-N 0 3 318.465 2.486 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C)CC1 ZINC001076924520 781425236 /nfs/dbraw/zinc/42/52/36/781425236.db2.gz QWDCWIZIFZJWOT-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001091061810 790880493 /nfs/dbraw/zinc/88/04/93/790880493.db2.gz MHVKXJBMMNIKRP-UHFFFAOYSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001077024926 781455988 /nfs/dbraw/zinc/45/59/88/781455988.db2.gz YDRORYUMDATCPN-ZJIFWQFVSA-N 0 3 308.466 2.186 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CNCc2ccn(CC)n2)[C@H](C)C1 ZINC001105929373 781871582 /nfs/dbraw/zinc/87/15/82/781871582.db2.gz NGIOMIDBRFNKDK-HUUCEWRRSA-N 0 3 304.438 2.053 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-n3cccc3)nc2)C[C@@H]1C ZINC000947814151 783236932 /nfs/dbraw/zinc/23/69/32/783236932.db2.gz JFVDHUDLWBRVLV-RDJZCZTQSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3c2ccn3C)C[C@@H]1C ZINC000947815674 783237668 /nfs/dbraw/zinc/23/76/68/783237668.db2.gz VYSJCWDOMLCREQ-LSDHHAIUSA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cn2ncc3ccccc32)C[C@H]1C ZINC000947820528 783238437 /nfs/dbraw/zinc/23/84/37/783238437.db2.gz MDIHQNWOJCZZJO-WBVHZDCISA-N 0 3 324.428 2.029 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2c(F)cccc2F)C1 ZINC001073867266 790925080 /nfs/dbraw/zinc/92/50/80/790925080.db2.gz RPMPLVSZNXOWPR-CYBMUJFWSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)C[C@@H]1C ZINC000947825836 783241002 /nfs/dbraw/zinc/24/10/02/783241002.db2.gz YKAWENORCLIXMM-YOEHRIQHSA-N 0 3 307.397 2.451 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001091130712 790926215 /nfs/dbraw/zinc/92/62/15/790926215.db2.gz SHDUKNYTPKHGRI-LDZOIKDWSA-N 0 3 320.820 2.227 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C[C@H]1C ZINC000947967425 783279942 /nfs/dbraw/zinc/27/99/42/783279942.db2.gz OUEVSBPOIHCJES-ZBFHGGJFSA-N 0 3 309.413 2.313 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000948025042 783295724 /nfs/dbraw/zinc/29/57/24/783295724.db2.gz AWPMRMLKDJYVNK-DNVCBOLYSA-N 0 3 310.441 2.320 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)nsc2C)C[C@H]1C ZINC000948079183 783313258 /nfs/dbraw/zinc/31/32/58/783313258.db2.gz UVQLPCIWUIIQBS-RISCZKNCSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001073878745 790936754 /nfs/dbraw/zinc/93/67/54/790936754.db2.gz SPESIHABADABRK-GOSISDBHSA-N 0 3 314.429 2.093 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001089716161 783378783 /nfs/dbraw/zinc/37/87/83/783378783.db2.gz AWDFCTSSBGYPAA-CQSZACIVSA-N 0 3 319.453 2.095 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)CC2CCOCC2)CC1 ZINC000948239923 783387829 /nfs/dbraw/zinc/38/78/29/783387829.db2.gz BIPKAXQJMXHKFF-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccc(F)cn2)CC1 ZINC000948320580 783425236 /nfs/dbraw/zinc/42/52/36/783425236.db2.gz YVEBRSBQZZHNSQ-OAHLLOKOSA-N 0 3 303.381 2.171 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(F)cn2)CC1 ZINC000948320579 783425389 /nfs/dbraw/zinc/42/53/89/783425389.db2.gz YVEBRSBQZZHNSQ-HNNXBMFYSA-N 0 3 303.381 2.171 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000948470556 783476344 /nfs/dbraw/zinc/47/63/44/783476344.db2.gz DMTTXZJVMKEQTE-HNNXBMFYSA-N 0 3 310.401 2.123 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)Cc2ccc(F)cn2)CC1 ZINC000948552730 783498827 /nfs/dbraw/zinc/49/88/27/783498827.db2.gz APLBBYYGZLDURQ-QGZVFWFLSA-N 0 3 317.408 2.099 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC000966165983 783586493 /nfs/dbraw/zinc/58/64/93/783586493.db2.gz HVIRNJRUWNBUJN-HOCLYGCPSA-N 0 3 314.433 2.072 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC000966324475 783636273 /nfs/dbraw/zinc/63/62/73/783636273.db2.gz JNPOQNZUKXTIDA-AAEUAGOBSA-N 0 3 310.829 2.090 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1cnn(C)c1 ZINC001085444540 783692171 /nfs/dbraw/zinc/69/21/71/783692171.db2.gz JRRJDGJALRCTNE-BPLDGKMQSA-N 0 3 324.856 2.293 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC000966563470 783696253 /nfs/dbraw/zinc/69/62/53/783696253.db2.gz LPEHFTATQSKTIZ-CJNGLKHVSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2cnccc2OC)C1 ZINC000966903961 783806778 /nfs/dbraw/zinc/80/67/78/783806778.db2.gz LHLMIXBYHHYAGE-GDBMZVCRSA-N 0 3 317.433 2.035 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncnc2sccc21 ZINC001085603220 783879767 /nfs/dbraw/zinc/87/97/67/783879767.db2.gz YAMFHDYTWCQTQK-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967121523 783889521 /nfs/dbraw/zinc/88/95/21/783889521.db2.gz NNSBOFPWYWTPLA-GOEBONIOSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccn3nccc23)C1 ZINC000967228703 783907242 /nfs/dbraw/zinc/90/72/42/783907242.db2.gz IBMIHSZDJMNCAH-GDBMZVCRSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccn3nccc23)C1 ZINC000967228712 783908020 /nfs/dbraw/zinc/90/80/20/783908020.db2.gz IBMIHSZDJMNCAH-ZBFHGGJFSA-N 0 3 312.417 2.351 20 30 DEEDHN CC[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC000967255225 783911007 /nfs/dbraw/zinc/91/10/07/783911007.db2.gz FJUUHJHEZCFZCF-XJKSGUPXSA-N 0 3 315.417 2.303 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC000967251923 783911377 /nfs/dbraw/zinc/91/13/77/783911377.db2.gz COVOOSFNOGJGEX-SUMWQHHRSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001085638282 783926164 /nfs/dbraw/zinc/92/61/64/783926164.db2.gz NFPJKXYKASZHMX-OAHLLOKOSA-N 0 3 315.417 2.387 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001085638281 783926214 /nfs/dbraw/zinc/92/62/14/783926214.db2.gz NFPJKXYKASZHMX-HNNXBMFYSA-N 0 3 315.417 2.387 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085697981 783977402 /nfs/dbraw/zinc/97/74/02/783977402.db2.gz ZFKIRRYIGQPALE-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC000967401723 783979949 /nfs/dbraw/zinc/97/99/49/783979949.db2.gz GMKNRTKPBCOMGF-CHWSQXEVSA-N 0 3 307.394 2.090 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418927 783992077 /nfs/dbraw/zinc/99/20/77/783992077.db2.gz DUVWHHTVZDKQJO-UKRRQHHQSA-N 0 3 311.385 2.291 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2occ3c2CCOC3)C1 ZINC000967462438 784019546 /nfs/dbraw/zinc/01/95/46/784019546.db2.gz FOYNKEZJQOTIQO-XJKSGUPXSA-N 0 3 318.417 2.369 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@@H]2CCN2C(C)C)cc1 ZINC001085858256 784147268 /nfs/dbraw/zinc/14/72/68/784147268.db2.gz UUUPAQVCHKTESL-INIZCTEOSA-N 0 3 300.402 2.253 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnn2ccccc12 ZINC001085877458 784170685 /nfs/dbraw/zinc/17/06/85/784170685.db2.gz CLUGGZOEXVVBPE-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN CC(C)Oc1ccccc1CN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000967943800 784183229 /nfs/dbraw/zinc/18/32/29/784183229.db2.gz LPKSYDFOHRESFW-GDBMZVCRSA-N 0 3 315.417 2.324 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(CCC)nc1C ZINC001085893816 784184550 /nfs/dbraw/zinc/18/45/50/784184550.db2.gz LEFPUGKMQMLIAM-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC000967967376 784189693 /nfs/dbraw/zinc/18/96/93/784189693.db2.gz LVQUOIOXXVXMTJ-WMLDXEAASA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)c[nH]c1=O ZINC001085899018 784190176 /nfs/dbraw/zinc/19/01/76/784190176.db2.gz SHXOQGCEBJQQEA-CQSZACIVSA-N 0 3 303.406 2.072 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC000968034918 784208255 /nfs/dbraw/zinc/20/82/55/784208255.db2.gz JJUBHQVPUXTVTM-ZBFHGGJFSA-N 0 3 317.433 2.035 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085919455 784216457 /nfs/dbraw/zinc/21/64/57/784216457.db2.gz CAXVVUYEIRVDSH-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)nc1C ZINC001085921374 784217545 /nfs/dbraw/zinc/21/75/45/784217545.db2.gz ALDDHNNATDJRMG-OAHLLOKOSA-N 0 3 304.438 2.495 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000968107810 784229154 /nfs/dbraw/zinc/22/91/54/784229154.db2.gz PDAGCZTWIPBTSX-GUYCJALGSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)N(C)CC2 ZINC001085953556 784253960 /nfs/dbraw/zinc/25/39/60/784253960.db2.gz CQWCBMINAUWZIR-KRWDZBQOSA-N 0 3 313.445 2.401 20 30 DEEDHN C=C(Cl)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001085986694 784284456 /nfs/dbraw/zinc/28/44/56/784284456.db2.gz KYWVUWAJXDITMP-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340621 784303591 /nfs/dbraw/zinc/30/35/91/784303591.db2.gz RXIFCFKPSXSZCI-CZUORRHYSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC000968366188 784327754 /nfs/dbraw/zinc/32/77/54/784327754.db2.gz UEPKUWHBCXMBJE-BBRMVZONSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(OCC#C)cc2)C1 ZINC000968391730 784351190 /nfs/dbraw/zinc/35/11/90/784351190.db2.gz UQACJUPVGOXERL-QFBILLFUSA-N 0 3 324.424 2.162 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccnn2CC(C)C)C1 ZINC001086099279 784409326 /nfs/dbraw/zinc/40/93/26/784409326.db2.gz TZOVDWPNULARBN-OKILXGFUSA-N 0 3 324.856 2.390 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2c(C)noc2C)C1 ZINC000968641080 784517212 /nfs/dbraw/zinc/51/72/12/784517212.db2.gz XHMQRNCSGGPKGI-WBMJQRKESA-N 0 3 305.422 2.237 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001086250812 784523838 /nfs/dbraw/zinc/52/38/38/784523838.db2.gz NRCXGLXFHYTWKT-BJHJDKERSA-N 0 3 307.825 2.354 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001086258663 784526872 /nfs/dbraw/zinc/52/68/72/784526872.db2.gz LSFJZWZXLGWSBV-DTORHVGOSA-N 0 3 304.177 2.179 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968687752 784541137 /nfs/dbraw/zinc/54/11/37/784541137.db2.gz GIHZYKAQVJBXBR-FKZADTEYSA-N 0 3 300.446 2.128 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001086298039 784557227 /nfs/dbraw/zinc/55/72/27/784557227.db2.gz DMBXZSZUOSEAHS-CUBALJKWSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001086338584 784599188 /nfs/dbraw/zinc/59/91/88/784599188.db2.gz VZMJOEIMEFZYHD-CXONOXSGSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC001086384920 784640746 /nfs/dbraw/zinc/64/07/46/784640746.db2.gz IYODTOGYUMDBID-AJNGGQMLSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000968931811 784656810 /nfs/dbraw/zinc/65/68/10/784656810.db2.gz ZGUBMCUSKYQTSZ-CQSZACIVSA-N 0 3 316.449 2.449 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC000968934029 784658731 /nfs/dbraw/zinc/65/87/31/784658731.db2.gz KXHFAOMKDMGIFG-MRXNPFEDSA-N 0 3 324.428 2.332 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC000968936588 784660099 /nfs/dbraw/zinc/66/00/99/784660099.db2.gz LQYDOKMUNIVWAC-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC000968949506 784665493 /nfs/dbraw/zinc/66/54/93/784665493.db2.gz NQYDHNFMEGGKFY-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cc(OCC)no1 ZINC000968954871 784669601 /nfs/dbraw/zinc/66/96/01/784669601.db2.gz HVYWXQFXKVNKRE-AWEZNQCLSA-N 0 3 319.405 2.071 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1conc1CC ZINC000969017442 784690841 /nfs/dbraw/zinc/69/08/41/784690841.db2.gz MDSOIFNPVUMYGN-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cnoc1CC ZINC000969057202 784706870 /nfs/dbraw/zinc/70/68/70/784706870.db2.gz VMIPMCGIUGQDRX-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1coc(COC)n1 ZINC000969096643 784725620 /nfs/dbraw/zinc/72/56/20/784725620.db2.gz AVOPHFAFBZAPGA-CQSZACIVSA-N 0 3 321.421 2.372 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001086443888 784737182 /nfs/dbraw/zinc/73/71/82/784737182.db2.gz UKROFAYMSXMPIC-AULYBMBSSA-N 0 3 310.829 2.213 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NCc3conc3C)C2)cc1 ZINC001086444621 784738293 /nfs/dbraw/zinc/73/82/93/784738293.db2.gz HHZDGQIDCZEEDX-RZDIXWSQSA-N 0 3 323.396 2.263 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001086497764 784795172 /nfs/dbraw/zinc/79/51/72/784795172.db2.gz ALSLFYBAUIFYED-YEORSEQZSA-N 0 3 320.824 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn3ccccc23)C1 ZINC001086507131 784801358 /nfs/dbraw/zinc/80/13/58/784801358.db2.gz MJUNRJXUXOQWID-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001007407099 784910810 /nfs/dbraw/zinc/91/08/10/784910810.db2.gz IOEAOTASZFXRHU-LBPRGKRZSA-N 0 3 310.829 2.327 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001007408540 784912802 /nfs/dbraw/zinc/91/28/02/784912802.db2.gz WXRHKSSTQZZWBB-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001007634663 784966124 /nfs/dbraw/zinc/96/61/24/784966124.db2.gz HPHCMMKDHCSQAP-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN N#Cc1cccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169046749 785019620 /nfs/dbraw/zinc/01/96/20/785019620.db2.gz MMIRMFZKJHAYMF-RDJZCZTQSA-N 0 3 314.389 2.126 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001008335424 785176037 /nfs/dbraw/zinc/17/60/37/785176037.db2.gz YVKKCQRLSZBBAP-HNNXBMFYSA-N 0 3 303.406 2.169 20 30 DEEDHN CCO[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)C(C)C ZINC001129336133 785226912 /nfs/dbraw/zinc/22/69/12/785226912.db2.gz ZPRIOIPIWQGWPO-KRWDZBQOSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2noc3c2CCCC3)C1 ZINC001008646028 785260241 /nfs/dbraw/zinc/26/02/41/785260241.db2.gz BACRZBKIZHVHEN-CYBMUJFWSA-N 0 3 303.406 2.324 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001169679740 785299449 /nfs/dbraw/zinc/29/94/49/785299449.db2.gz HIOJMZMLYYYKCT-VXGBXAGGSA-N 0 3 303.244 2.283 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC(NCc2ncc(C)s2)CC1 ZINC001204028920 785344603 /nfs/dbraw/zinc/34/46/03/785344603.db2.gz RSGMWNDGIOSITI-ZDUSSCGKSA-N 0 3 323.462 2.123 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C1CCC(S(C)(=O)=O)CC1 ZINC001169884844 785395677 /nfs/dbraw/zinc/39/56/77/785395677.db2.gz JXQKAPDZMYUKML-UHFFFAOYSA-N 0 3 306.431 2.346 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001009521389 785471595 /nfs/dbraw/zinc/47/15/95/785471595.db2.gz AEZGOEHEKOXBHW-AWEZNQCLSA-N 0 3 313.405 2.037 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001009642674 785496480 /nfs/dbraw/zinc/49/64/80/785496480.db2.gz LPEQCEGVUFFLAB-RDJZCZTQSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109073055 785692531 /nfs/dbraw/zinc/69/25/31/785692531.db2.gz WWAQKLLVDLAONL-SQNIBIBYSA-N 0 3 314.429 2.419 20 30 DEEDHN CC[C@@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2)OC ZINC001109260834 785787351 /nfs/dbraw/zinc/78/73/51/785787351.db2.gz OZJRRDQMGPVJGO-UGUYLWEFSA-N 0 3 306.450 2.182 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C(F)(F)F)CC1)C2 ZINC001109397987 785848990 /nfs/dbraw/zinc/84/89/90/785848990.db2.gz RALJHVUZKTWNEU-AGIUHOORSA-N 0 3 314.351 2.464 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(F)F)C2 ZINC001109536986 785920812 /nfs/dbraw/zinc/92/08/12/785920812.db2.gz DDGDAZLKOSKAEL-MQYQWHSLSA-N 0 3 316.392 2.202 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C ZINC001109657304 785976603 /nfs/dbraw/zinc/97/66/03/785976603.db2.gz JMWXOCQCHWTLFO-IKGGRYGDSA-N 0 3 316.449 2.040 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001156927610 786091938 /nfs/dbraw/zinc/09/19/38/786091938.db2.gz MYVUQQDVVBLJCG-CQSZACIVSA-N 0 3 304.438 2.020 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCF)CCOCC1 ZINC001110046995 786141025 /nfs/dbraw/zinc/14/10/25/786141025.db2.gz HXZJOGWAQFMIDP-PMPSAXMXSA-N 0 3 324.440 2.440 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c[nH]c3ncccc23)C1 ZINC001086555263 786212206 /nfs/dbraw/zinc/21/22/06/786212206.db2.gz YIJYKTBDPHKQLC-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001112969531 786337297 /nfs/dbraw/zinc/33/72/97/786337297.db2.gz MBGJUTWTUCNYGH-UHFFFAOYSA-N 0 3 307.482 2.361 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c2ccccc2nn1C ZINC001170135044 786513209 /nfs/dbraw/zinc/51/32/09/786513209.db2.gz BLZVWHLXSPSZIC-UHFFFAOYSA-N 0 3 306.797 2.035 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001014412533 786575960 /nfs/dbraw/zinc/57/59/60/786575960.db2.gz IIQZKUNFCVRFHO-RRFJBIMHSA-N 0 3 302.443 2.374 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001014432954 786584757 /nfs/dbraw/zinc/58/47/57/786584757.db2.gz ZKIKGJROHAPFQY-AWEZNQCLSA-N 0 3 303.406 2.316 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001014758690 786739745 /nfs/dbraw/zinc/73/97/45/786739745.db2.gz WDKIPTXTMZEYCD-HNNXBMFYSA-N 0 3 314.433 2.285 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001015011407 786856866 /nfs/dbraw/zinc/85/68/66/786856866.db2.gz WATCMTWIXPMCTI-MSOLQXFVSA-N 0 3 312.413 2.018 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001170282903 786900192 /nfs/dbraw/zinc/90/01/92/786900192.db2.gz OSVBORPIRMBRFZ-CQSZACIVSA-N 0 3 319.453 2.071 20 30 DEEDHN CCOC(=O)[C@@H](C#N)Nc1ccc(CN2CCCC[C@H]2C)cn1 ZINC001170369105 786923899 /nfs/dbraw/zinc/92/38/99/786923899.db2.gz RMRDGCKFIKKGSG-UKRRQHHQSA-N 0 3 316.405 2.323 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015369736 787020669 /nfs/dbraw/zinc/02/06/69/787020669.db2.gz AVTAJNBAHLWUGQ-QYZOEREBSA-N 0 3 310.441 2.469 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCOc3cccc(F)c3)C[C@H]21 ZINC001114002316 787041323 /nfs/dbraw/zinc/04/13/23/787041323.db2.gz KBOBUIIPIBUONA-VQFNDLOPSA-N 0 3 318.392 2.217 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001015479103 787075541 /nfs/dbraw/zinc/07/55/41/787075541.db2.gz ZBVLYTWOSOAYHG-AWEZNQCLSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](OCC)C1=CCCC1 ZINC001114284857 787197752 /nfs/dbraw/zinc/19/77/52/787197752.db2.gz BQYUUHQSGOXVJL-HPFXQQBRSA-N 0 3 304.434 2.124 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001015726544 787202256 /nfs/dbraw/zinc/20/22/56/787202256.db2.gz PBKCZWOLWPMNKT-IMJJTQAJSA-N 0 3 320.458 2.072 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)/C(C)=C\CC)C1 ZINC001130355246 787359271 /nfs/dbraw/zinc/35/92/71/787359271.db2.gz LBVWXNJYYLWIMQ-XMRSSTEGSA-N 0 3 302.422 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)CCC)C1 ZINC001130365717 787365983 /nfs/dbraw/zinc/36/59/83/787365983.db2.gz ZUOHBBKKIDIMRP-KBPBESRZSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001130409906 787380053 /nfs/dbraw/zinc/38/00/53/787380053.db2.gz XSHAXFSKBWLYTO-KBXCAEBGSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(CF)CCC2)C1 ZINC001130427759 787389204 /nfs/dbraw/zinc/38/92/04/787389204.db2.gz RCEBKTWCBVKTOE-ZDUSSCGKSA-N 0 3 320.412 2.141 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1OC)C2 ZINC001095964015 787427156 /nfs/dbraw/zinc/42/71/56/787427156.db2.gz NZBCIGNAGZDPME-SNPRPXQTSA-N 0 3 301.390 2.001 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](CC)OC)C1 ZINC001095984092 787434490 /nfs/dbraw/zinc/43/44/90/787434490.db2.gz BUUCWROGMSBSKG-UGUYLWEFSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@H]1c1cn(C)cn1 ZINC001130644290 787450331 /nfs/dbraw/zinc/45/03/31/787450331.db2.gz LYMXSTAVFDZTGK-CMIWADLOSA-N 0 3 314.433 2.013 20 30 DEEDHN Cc1cc(C)nc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001130665963 787451823 /nfs/dbraw/zinc/45/18/23/787451823.db2.gz DIKJQKUSJGCYET-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC001096176450 787560349 /nfs/dbraw/zinc/56/03/49/787560349.db2.gz YAFHFHYEEADNLY-ZSGPHXLJSA-N 0 3 324.424 2.368 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)C[C@H](CC)CCCC)C1=O ZINC001131485261 787635457 /nfs/dbraw/zinc/63/54/57/787635457.db2.gz XQRLOQLRHNMTOI-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC(C)C)C[C@@H](C)O2 ZINC001131629451 787665267 /nfs/dbraw/zinc/66/52/67/787665267.db2.gz RUBVPZWFAQGPDD-SJLPKXTDSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccnc3C1)C2 ZINC001096432639 787665362 /nfs/dbraw/zinc/66/53/62/787665362.db2.gz ZBWPJIVYWSXGTJ-LMSBXDPUSA-N 0 3 311.429 2.094 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCC(=C)C)C[C@@H](C)O2 ZINC001131665473 787675575 /nfs/dbraw/zinc/67/55/75/787675575.db2.gz GEALKEJROVMZHL-AEFFLSMTSA-N 0 3 304.434 2.058 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(CCF)CC1)C[C@H](C)O2 ZINC001131673689 787687349 /nfs/dbraw/zinc/68/73/49/787687349.db2.gz QOVOTLBVODFBES-MAUKXSAKSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131849863 787770096 /nfs/dbraw/zinc/77/00/96/787770096.db2.gz VCOUFJZQJQBHJX-HUUCEWRRSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)c1ccccc1 ZINC001111436329 787803151 /nfs/dbraw/zinc/80/31/51/787803151.db2.gz BPIVUUDFYBTVSJ-XDNAFOTISA-N 0 3 314.429 2.060 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001131976693 787849893 /nfs/dbraw/zinc/84/98/93/787849893.db2.gz NUUPWFHGRFORSW-IRXDYDNUSA-N 0 3 316.449 2.046 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccc(C)o2)CC[C@H]1C ZINC001131965831 787855935 /nfs/dbraw/zinc/85/59/35/787855935.db2.gz ZNPBAJGMNCJFND-ZBFHGGJFSA-N 0 3 320.433 2.302 20 30 DEEDHN C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)CN1CC1CC(F)(F)C1 ZINC001132047051 787910996 /nfs/dbraw/zinc/91/09/96/787910996.db2.gz SYDKEIWVJBLFNR-DOMZBBRYSA-N 0 3 310.388 2.414 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCCO)C1 ZINC001132078862 787918094 /nfs/dbraw/zinc/91/80/94/787918094.db2.gz OUHKVQLKUGTCTO-DGCLKSJQSA-N 0 3 302.846 2.117 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)[nH]1 ZINC001096972204 787918974 /nfs/dbraw/zinc/91/89/74/787918974.db2.gz IVGLWWXPWWAJJC-NXHRZFHOSA-N 0 3 320.396 2.422 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2ncc(C)o2)CC[C@@H]1C ZINC001132164720 787954371 /nfs/dbraw/zinc/95/43/71/787954371.db2.gz JAYOFNFDFQZMNH-DZGCQCFKSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2cncc(OC)c2)CC[C@H]1C ZINC001132164800 787954578 /nfs/dbraw/zinc/95/45/78/787954578.db2.gz JZOQFIRRFYQFTE-GDBMZVCRSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)cnc3c1)C2 ZINC001097073776 787966557 /nfs/dbraw/zinc/96/65/57/787966557.db2.gz UQNKBEPTRUQHOH-ZACQAIPSSA-N 0 3 322.412 2.001 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(F)c(F)c2)cc1 ZINC001132215993 787977238 /nfs/dbraw/zinc/97/72/38/787977238.db2.gz VEJBATZNZLXALP-UHFFFAOYSA-N 0 3 314.335 2.466 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C ZINC001132238209 787989829 /nfs/dbraw/zinc/98/98/29/787989829.db2.gz PRVAPBOWXJKUPT-NRKLIOEPSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CC(C)(F)F)CC[C@H]1C ZINC001132297037 788016600 /nfs/dbraw/zinc/01/66/00/788016600.db2.gz YTSGFDOPPOCNOX-CHWSQXEVSA-N 0 3 304.381 2.203 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132326362 788033803 /nfs/dbraw/zinc/03/38/03/788033803.db2.gz DGQTUEMXWILOTQ-VXGBXAGGSA-N 0 3 302.340 2.321 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCC(=O)N(CC)CC)CC[C@@H]1C ZINC001132353417 788034665 /nfs/dbraw/zinc/03/46/65/788034665.db2.gz GDDJKAZYOCJXIL-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccnc(C)c2)CC[C@@H]1C ZINC001132368304 788041297 /nfs/dbraw/zinc/04/12/97/788041297.db2.gz KXTOYHAXLXQOFW-RDJZCZTQSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cnon2)CC[C@@H]1C ZINC001132368690 788044774 /nfs/dbraw/zinc/04/47/74/788044774.db2.gz PNIGIBJMXKCIAM-KBPBESRZSA-N 0 3 306.410 2.399 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2ccncc2)CC[C@H]1C ZINC001132383657 788051481 /nfs/dbraw/zinc/05/14/81/788051481.db2.gz BVQGHKQGRUMCBM-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCc2nc(C)no2)CC[C@@H]1C ZINC001132487331 788092385 /nfs/dbraw/zinc/09/23/85/788092385.db2.gz UBDSGQRUCMWQBV-ZFWWWQNUSA-N 0 3 320.437 2.246 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2c(C)noc2C)CC[C@@H]1C ZINC001132478539 788095133 /nfs/dbraw/zinc/09/51/33/788095133.db2.gz LQANMRDBKYAYSJ-WFASDCNBSA-N 0 3 305.422 2.379 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CN(C)Cc2ccccc2)CC[C@H]1C ZINC001132541315 788117895 /nfs/dbraw/zinc/11/78/95/788117895.db2.gz CVMAMHLASMIAOY-SJLPKXTDSA-N 0 3 315.461 2.274 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CNC(=O)C(CC)CC)CC[C@@H]1C ZINC001132546168 788120888 /nfs/dbraw/zinc/12/08/88/788120888.db2.gz JBCLBYQOLAFDJK-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CN(C)c2ccccc2)CC[C@@H]1C ZINC001132548478 788127073 /nfs/dbraw/zinc/12/70/73/788127073.db2.gz DCQPIVVMMZZEFM-JKSUJKDBSA-N 0 3 301.434 2.278 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1O[C@@H](C)C3)C2 ZINC001097559723 788135864 /nfs/dbraw/zinc/13/58/64/788135864.db2.gz OJNOEMIURYGIFC-NZPGVSJUSA-N 0 3 324.424 2.368 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1cn(C(C)C)nc1C ZINC001132593061 788141581 /nfs/dbraw/zinc/14/15/81/788141581.db2.gz OYONVULEMQCYFE-UHFFFAOYSA-N 0 3 304.438 2.172 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132651484 788156471 /nfs/dbraw/zinc/15/64/71/788156471.db2.gz ZVGLLNIXWGRUEJ-CQSZACIVSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001132667565 788159831 /nfs/dbraw/zinc/15/98/31/788159831.db2.gz NZYOLRJUYBWWAF-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN CCn1ccc(C(=O)NCCNCc2cccc(C#N)c2)c1C ZINC001132728462 788176315 /nfs/dbraw/zinc/17/63/15/788176315.db2.gz YGOVJTZVIVLCJG-UHFFFAOYSA-N 0 3 310.401 2.208 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(OC)CC1)C2 ZINC001097748354 788215304 /nfs/dbraw/zinc/21/53/04/788215304.db2.gz XZMXNQAADGLRKW-AEFXTWNNSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1nccn1CC ZINC001158746956 788235253 /nfs/dbraw/zinc/23/52/53/788235253.db2.gz OGXNCAUTTOFUKA-UHFFFAOYSA-N 0 3 304.438 2.267 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2Cc3ccccc32)ccc1F ZINC001133125825 788290256 /nfs/dbraw/zinc/29/02/56/788290256.db2.gz XHIVAZQOYUPHGC-QGZVFWFLSA-N 0 3 323.371 2.243 20 30 DEEDHN Cc1cccc(CC(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001133179055 788307797 /nfs/dbraw/zinc/30/77/97/788307797.db2.gz DDZMOQJTAKHOIK-UHFFFAOYSA-N 0 3 307.397 2.315 20 30 DEEDHN Cc1ncoc1CNCCCC[C@H](C)NC(=O)C#CC1CC1 ZINC001170675541 788336343 /nfs/dbraw/zinc/33/63/43/788336343.db2.gz ZKCRBLZPJUGJQS-ZDUSSCGKSA-N 0 3 303.406 2.161 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001133378364 788391638 /nfs/dbraw/zinc/39/16/38/788391638.db2.gz DMEXMAXGJXHUSM-SFHVURJKSA-N 0 3 317.433 2.453 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)COCC=C ZINC001133389495 788398830 /nfs/dbraw/zinc/39/88/30/788398830.db2.gz USERFODGJFFBAC-UHFFFAOYSA-N 0 3 320.820 2.094 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)OC ZINC001133388104 788399659 /nfs/dbraw/zinc/39/96/59/788399659.db2.gz BONNKDISFFFCSZ-MRXNPFEDSA-N 0 3 322.836 2.316 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)n1nc(C)cc1C)C2 ZINC001098483836 788452403 /nfs/dbraw/zinc/45/24/03/788452403.db2.gz CIRSZIMBRCONCE-HZMVEIRTSA-N 0 3 316.449 2.359 20 30 DEEDHN CSCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133641381 788532868 /nfs/dbraw/zinc/53/28/68/788532868.db2.gz RHPONPYGGDQKOK-RYUDHWBXSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001133656510 788539698 /nfs/dbraw/zinc/53/96/98/788539698.db2.gz BAJXDFZUKUEWML-WDEREUQCSA-N 0 3 314.227 2.410 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1ccon1)NCc1ccccc1C#N ZINC001133815929 788622992 /nfs/dbraw/zinc/62/29/92/788622992.db2.gz GQHCDCIQXPWNBC-CHWSQXEVSA-N 0 3 312.373 2.233 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CC(F)(F)C(F)F)c1 ZINC001133883009 788649163 /nfs/dbraw/zinc/64/91/63/788649163.db2.gz DMZKVRHYCWQGDM-UHFFFAOYSA-N 0 3 317.286 2.055 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133909475 788667786 /nfs/dbraw/zinc/66/77/86/788667786.db2.gz MLFIRVLFHLQLFM-GJZGRUSLSA-N 0 3 315.417 2.134 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nccn1CC ZINC001134114633 788764928 /nfs/dbraw/zinc/76/49/28/788764928.db2.gz MLZXGSBBMBXOPG-HZPDHXFCSA-N 0 3 318.465 2.470 20 30 DEEDHN Cc1cc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)ncn1 ZINC001134329518 788875423 /nfs/dbraw/zinc/87/54/23/788875423.db2.gz OQYUHMTVGQCXAO-ZFWWWQNUSA-N 0 3 316.449 2.207 20 30 DEEDHN Cc1nccnc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134329138 788875630 /nfs/dbraw/zinc/87/56/30/788875630.db2.gz JVNNVRQSKXXLPT-ZIAGYGMSSA-N 0 3 316.449 2.207 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134418163 788921920 /nfs/dbraw/zinc/92/19/20/788921920.db2.gz GNKVLWQZFXCHIU-STQMWFEESA-N 0 3 315.421 2.411 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccnc(OC)n1 ZINC001134469829 788938355 /nfs/dbraw/zinc/93/83/55/788938355.db2.gz IUWLWVPZXYWIGF-KBPBESRZSA-N 0 3 320.437 2.214 20 30 DEEDHN CCC[C@@H](CC1CCCC1)C(=O)NCCNCC#CCOC ZINC001134693255 789033112 /nfs/dbraw/zinc/03/31/12/789033112.db2.gz QVGRSUFSWHSMSE-KRWDZBQOSA-N 0 3 308.466 2.339 20 30 DEEDHN C#CCCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cnns1 ZINC001135193130 789230272 /nfs/dbraw/zinc/23/02/72/789230272.db2.gz FJZSIMLTPFUNKV-ZIAGYGMSSA-N 0 3 322.478 2.495 20 30 DEEDHN C=CC1(CC(=O)NCCNCc2cncn2C)CCCCC1 ZINC001135186810 789237821 /nfs/dbraw/zinc/23/78/21/789237821.db2.gz KTVQIPXUFAYUDQ-UHFFFAOYSA-N 0 3 304.438 2.153 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cc(OC)no1 ZINC001135235628 789252905 /nfs/dbraw/zinc/25/29/05/789252905.db2.gz MJPHPZVLSHMFDZ-RYUDHWBXSA-N 0 3 309.410 2.268 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001135238045 789256401 /nfs/dbraw/zinc/25/64/01/789256401.db2.gz JIVKLIGUOYNEFP-HUUCEWRRSA-N 0 3 318.465 2.295 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cncc(Cl)c2)c1 ZINC001135298085 789278588 /nfs/dbraw/zinc/27/85/88/789278588.db2.gz FVEVFBXXWMPPOU-UHFFFAOYSA-N 0 3 314.776 2.126 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cncc(OC)n1 ZINC001135357619 789298453 /nfs/dbraw/zinc/29/84/53/789298453.db2.gz FTQNORUWFUXHQI-KGLIPLIRSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC2(C)C)C1 ZINC001070404928 789313385 /nfs/dbraw/zinc/31/33/85/789313385.db2.gz UMAIMBGJJNGHFE-GXTWGEPZSA-N 0 3 302.422 2.047 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)[C@@H](C)CCCCCC)C1=O ZINC001135547500 789391131 /nfs/dbraw/zinc/39/11/31/789391131.db2.gz KRNPXXUSLMRSPN-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnn(C)c2CC)C1 ZINC001086744506 789414316 /nfs/dbraw/zinc/41/43/16/789414316.db2.gz XEPGLDAGTYOMIM-QWHCGFSZSA-N 0 3 324.856 2.223 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001086751540 789432925 /nfs/dbraw/zinc/43/29/25/789432925.db2.gz SKJNZJZHWMLPIW-GXTWGEPZSA-N 0 3 323.824 2.331 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1cccnn1)NCc1ccccc1C#N ZINC001135739789 789474409 /nfs/dbraw/zinc/47/44/09/789474409.db2.gz SKZPTLHBBYMAAW-KGLIPLIRSA-N 0 3 323.400 2.035 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001070928717 789483609 /nfs/dbraw/zinc/48/36/09/789483609.db2.gz YSJIGIMMWGTUAW-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071054036 789506974 /nfs/dbraw/zinc/50/69/74/789506974.db2.gz WPLQEKWHKKHCDT-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H](NCC(=C)Cl)C2)c1 ZINC001086798457 789523198 /nfs/dbraw/zinc/52/31/98/789523198.db2.gz OPZMTOIPFGRCRA-GOEBONIOSA-N 0 3 317.820 2.304 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccco1)C[C@@H](C)O2 ZINC001071123220 789534728 /nfs/dbraw/zinc/53/47/28/789534728.db2.gz ZNMKHRRRSQVSON-RHSMWYFYSA-N 0 3 304.390 2.161 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(F)(F)F)C[C@@H](C)O2 ZINC001071140784 789554095 /nfs/dbraw/zinc/55/40/95/789554095.db2.gz BEFDFCHJHQBJMM-TZMCWYRMSA-N 0 3 320.355 2.207 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccns1)C[C@H](C)O2 ZINC001071173967 789575700 /nfs/dbraw/zinc/57/57/00/789575700.db2.gz QRHTWBPPEDYOFT-BBRMVZONSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC1(C)CC1)C[C@H](C)O2 ZINC001071193183 789582801 /nfs/dbraw/zinc/58/28/01/789582801.db2.gz XXNYNJZAGQKXRU-MAUKXSAKSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(C)CCC1)C[C@H](C)O2 ZINC001071196599 789584889 /nfs/dbraw/zinc/58/48/89/789584889.db2.gz FIABWRYSEKHDIP-MAUKXSAKSA-N 0 3 306.450 2.445 20 30 DEEDHN CC[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001136086632 789619803 /nfs/dbraw/zinc/61/98/03/789619803.db2.gz BEMDSNFXPZNUOV-YOEHRIQHSA-N 0 3 303.381 2.339 20 30 DEEDHN CC[C@]1(C)C[C@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001136086751 789620072 /nfs/dbraw/zinc/62/00/72/789620072.db2.gz CYNBIVNZJDWIKE-WMLDXEAASA-N 0 3 303.381 2.339 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)CC[C@@H]1C ZINC001071540891 789768253 /nfs/dbraw/zinc/76/82/53/789768253.db2.gz XQLODGKQYDFUMY-AAEUAGOBSA-N 0 3 324.375 2.193 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnn2CCC)CC[C@@H]1C ZINC001071540974 789768351 /nfs/dbraw/zinc/76/83/51/789768351.db2.gz YLXTZJXZGTZGEY-LSDHHAIUSA-N 0 3 304.438 2.452 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3ccccc3n2)CC[C@@H]1C ZINC001071568224 789786536 /nfs/dbraw/zinc/78/65/36/789786536.db2.gz KVLJKTOQFNIFKF-GJZGRUSLSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3c2CCCC3)CC[C@H]1C ZINC001071573591 789788960 /nfs/dbraw/zinc/78/89/60/789788960.db2.gz ICANJMGYLMALAG-CVEARBPZSA-N 0 3 313.445 2.430 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2cnn3ccccc23)CC[C@H]1C ZINC001071576903 789790169 /nfs/dbraw/zinc/79/01/69/789790169.db2.gz SEOMXSMCCINUSQ-GDBMZVCRSA-N 0 3 312.417 2.032 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)CC[C@@H]1C ZINC001071576801 789790453 /nfs/dbraw/zinc/79/04/53/789790453.db2.gz PPRJQHKOLCGVCU-RYUDHWBXSA-N 0 3 322.840 2.232 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c3c[nH]nc3ccc2C)CC[C@H]1C ZINC001071626271 789823937 /nfs/dbraw/zinc/82/39/37/789823937.db2.gz VATCKEXECSSYCH-HUUCEWRRSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)c2cccnc2)CC[C@H]1C ZINC001071627410 789824661 /nfs/dbraw/zinc/82/46/61/789824661.db2.gz FJOXLXMTOCPWQL-WBVHZDCISA-N 0 3 313.445 2.352 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@H]1C ZINC001071638748 789832468 /nfs/dbraw/zinc/83/24/68/789832468.db2.gz 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790004791 /nfs/dbraw/zinc/00/47/91/790004791.db2.gz QJLVYAPCTBPNCS-CHWSQXEVSA-N 0 3 324.856 2.409 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(CCCF)C2)cn1 ZINC001072001087 790006974 /nfs/dbraw/zinc/00/69/74/790006974.db2.gz AAJAMQAVHZWWIX-XJKSGUPXSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(OC)c2)CC[C@H]1C ZINC001072019219 790014677 /nfs/dbraw/zinc/01/46/77/790014677.db2.gz FKMNZSQESGVPAG-GDBMZVCRSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)cc2)CC[C@@H]1C ZINC001072019441 790015109 /nfs/dbraw/zinc/01/51/09/790015109.db2.gz ISMGZJYLGZPHRI-HOCLYGCPSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccnc2OCC)CC[C@@H]1C ZINC001072038002 790027142 /nfs/dbraw/zinc/02/71/42/790027142.db2.gz YMTXFWZKOIRMIP-LSDHHAIUSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]3C(F)F)C2)C1 ZINC001072811987 790256874 /nfs/dbraw/zinc/25/68/74/790256874.db2.gz NVQBQDVTJLJVMO-ZIAGYGMSSA-N 0 3 310.388 2.225 20 30 DEEDHN C[C@@]12CN(Cc3ccc(C#N)cc3)C[C@@H]1CN(C(=O)C1CC1)C2 ZINC001091417343 791154131 /nfs/dbraw/zinc/15/41/31/791154131.db2.gz PNWLOHKMCRHZFL-MJGOQNOKSA-N 0 3 309.413 2.249 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)[C@H]1CC12CC2 ZINC001074917771 791386064 /nfs/dbraw/zinc/38/60/64/791386064.db2.gz NGFMMGOEDWQHSK-GLQYFDAESA-N 0 3 315.442 2.499 20 30 DEEDHN CC[C@@H]1C[C@H](C(=O)NCCNCc2ccc(C#N)s2)CCO1 ZINC001146966477 791420718 /nfs/dbraw/zinc/42/07/18/791420718.db2.gz BBVSODKGOIGNMW-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)C[C@H]1C ZINC001075005093 791426092 /nfs/dbraw/zinc/42/60/92/791426092.db2.gz ZAEUTQRSAVARPA-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)C[C@@H]1C ZINC001075005092 791426512 /nfs/dbraw/zinc/42/65/12/791426512.db2.gz ZAEUTQRSAVARPA-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@@H](C)C1 ZINC001075017289 791430547 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C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001148126519 791695215 /nfs/dbraw/zinc/69/52/15/791695215.db2.gz ZAMYYBOUOARDRZ-MRXNPFEDSA-N 0 3 316.449 2.020 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001148126518 791695995 /nfs/dbraw/zinc/69/59/95/791695995.db2.gz ZAMYYBOUOARDRZ-INIZCTEOSA-N 0 3 316.449 2.020 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H]3CCCN(C)[C@H]3C2)cc1 ZINC001148463258 791751091 /nfs/dbraw/zinc/75/10/91/791751091.db2.gz CHUCBZVKSONPKN-WBVHZDCISA-N 0 3 300.402 2.418 20 30 DEEDHN CCCCCCCCCCC(=O)NCCN[C@H]1CCNC1=O ZINC001148763988 791802425 /nfs/dbraw/zinc/80/24/25/791802425.db2.gz MRNZLRYBEGJLAI-HNNXBMFYSA-N 0 3 311.470 2.112 20 30 DEEDHN CCCCCCOCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001149032548 791830162 /nfs/dbraw/zinc/83/01/62/791830162.db2.gz NWTGRPPYYBEZAU-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCCO3)C2)CC1 ZINC001086906435 791844465 /nfs/dbraw/zinc/84/44/65/791844465.db2.gz YEMGSOZLMUSTPY-SJORKVTESA-N 0 3 318.461 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DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1CCOCC1CC1 ZINC001098981738 792015127 /nfs/dbraw/zinc/01/51/27/792015127.db2.gz FOUIMYOJPRXLQG-GOEBONIOSA-N 0 3 321.465 2.179 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2OC)C1 ZINC001099012440 792036754 /nfs/dbraw/zinc/03/67/54/792036754.db2.gz AHORHYCTDFGKLH-KSSFIOAISA-N 0 3 315.417 2.251 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H](C)C1 ZINC001092741653 792122166 /nfs/dbraw/zinc/12/21/66/792122166.db2.gz GWSIMZDEQOZOSS-HZPDHXFCSA-N 0 3 321.424 2.474 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C)nc2C2CC2)[C@H](C)C1 ZINC001092863945 792154115 /nfs/dbraw/zinc/15/41/15/792154115.db2.gz XHYVUJLXNSUWSI-CZUORRHYSA-N 0 3 311.429 2.198 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1C(F)(F)F ZINC001099303099 792165392 /nfs/dbraw/zinc/16/53/92/792165392.db2.gz HESCGEFIWHWWIC-PSASIEDQSA-N 0 3 321.730 2.447 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CN(C[C@@H](F)CC)C[C@H]2C)c1 ZINC001092952165 792174314 /nfs/dbraw/zinc/17/43/14/792174314.db2.gz HZUWBKFRKIYYFM-XYPHTWIQSA-N 0 3 317.408 2.109 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNCc2cscn2)C1 ZINC001099395975 792193438 /nfs/dbraw/zinc/19/34/38/792193438.db2.gz ILBKIUIKGQQJAU-XEZPLFJOSA-N 0 3 318.446 2.021 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2coc(C3CCCC3)n2)[C@H](C)C1 ZINC001093090700 792238964 /nfs/dbraw/zinc/23/89/64/792238964.db2.gz APXJMXXSJFIVSN-UKRRQHHQSA-N 0 3 315.417 2.263 20 30 DEEDHN C=CCN1C[C@H](NC(=O)/C=C/C2CC2)CC2(CCOCC2)C1 ZINC001099574864 792249225 /nfs/dbraw/zinc/24/92/25/792249225.db2.gz NWBQVCJMPXOZOF-SQRWCISFSA-N 0 3 304.434 2.126 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cncc3ccccc32)[C@H](C)C1 ZINC001093217445 792293787 /nfs/dbraw/zinc/29/37/87/792293787.db2.gz FCGOKYRPZYFUAC-GDBMZVCRSA-N 0 3 307.397 2.166 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CSC)CC1 ZINC001093355291 792337877 /nfs/dbraw/zinc/33/78/77/792337877.db2.gz KMYWPNFQPSAYDN-INIZCTEOSA-N 0 3 306.475 2.076 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCCC(C)(C)C)[C@@H](O)C1 ZINC001099844666 792379338 /nfs/dbraw/zinc/37/93/38/792379338.db2.gz LBUBCFHQNHFNNZ-CVEARBPZSA-N 0 3 308.466 2.168 20 30 DEEDHN Cc1cc[nH]c1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100289710 792567469 /nfs/dbraw/zinc/56/74/69/792567469.db2.gz POJJRORMIGYAIT-UHFFFAOYSA-N 0 3 321.424 2.473 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)[C@@H](C)CC)c2)C1 ZINC001101091300 793014465 /nfs/dbraw/zinc/01/44/65/793014465.db2.gz ZPDINBHOPJAQLB-YOEHRIQHSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCCOCC)C[C@]2(C)C1 ZINC001101483839 793178159 /nfs/dbraw/zinc/17/81/59/793178159.db2.gz KLANLKYKKJWSHE-MJGOQNOKSA-N 0 3 320.477 2.387 20 30 DEEDHN CCC(=O)NC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC001101659483 793297679 /nfs/dbraw/zinc/29/76/79/793297679.db2.gz PAUWFDMEJPLJDQ-CZUORRHYSA-N 0 3 315.417 2.161 20 30 DEEDHN CCOC(=O)[C@@H]1CN([C@@H](C)Cc2ccc(C#N)cc2)CCS1 ZINC001172313480 793395951 /nfs/dbraw/zinc/39/59/51/793395951.db2.gz XPHOQOLWCATKJW-BBRMVZONSA-N 0 3 318.442 2.470 20 30 DEEDHN CCOC(=O)c1c(CN)ncn1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172293229 793405846 /nfs/dbraw/zinc/40/58/46/793405846.db2.gz SXLKMVBFYNHITK-GFCCVEGCSA-N 0 3 312.373 2.194 20 30 DEEDHN COc1ccc(S(C)(=O)=O)c(CN[C@@H](C)CCCC#N)c1 ZINC001172487294 793425202 /nfs/dbraw/zinc/42/52/02/793425202.db2.gz ALKBZIYCLYODCV-LBPRGKRZSA-N 0 3 310.419 2.271 20 30 DEEDHN C[C@H]1CCCN1CC(=O)N(C)CCNc1cccc(F)c1C#N ZINC001101968110 793463211 /nfs/dbraw/zinc/46/32/11/793463211.db2.gz QYICMPIUEWQLCW-ZDUSSCGKSA-N 0 3 318.396 2.052 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001102252839 793545952 /nfs/dbraw/zinc/54/59/52/793545952.db2.gz QWPWGOITUUINBG-SJLPKXTDSA-N 0 3 313.445 2.459 20 30 DEEDHN Cc1cc(CN)nn1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971002 793547767 /nfs/dbraw/zinc/54/77/67/793547767.db2.gz LDIOHWVHVYMHQQ-KGLIPLIRSA-N 0 3 319.409 2.114 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102410332 793604607 /nfs/dbraw/zinc/60/46/07/793604607.db2.gz XLDFHVGVCXETNT-GDBMZVCRSA-N 0 3 318.465 2.207 20 30 DEEDHN C[C@@H]1CN(CCF)C[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001102592906 793667669 /nfs/dbraw/zinc/66/76/69/793667669.db2.gz WYWDHYYDFBTXAG-NVXWUHKLSA-N 0 3 302.393 2.082 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001102609955 793671074 /nfs/dbraw/zinc/67/10/74/793671074.db2.gz QHPQEDROMJCFFT-HLMASZERSA-N 0 3 300.830 2.016 20 30 DEEDHN CC(=O)N1CCC2(CC1)CN(C1CCC(C)(C#N)CC1)CCO2 ZINC001173595280 793774772 /nfs/dbraw/zinc/77/47/72/793774772.db2.gz WATDSNRNLIMPFW-UHFFFAOYSA-N 0 3 319.449 2.172 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)OCCc1ccccc1 ZINC001174951387 794109580 /nfs/dbraw/zinc/10/95/80/794109580.db2.gz WESGTQRCAPEJBH-HNNXBMFYSA-N 0 3 324.852 2.483 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001175080920 794136145 /nfs/dbraw/zinc/13/61/45/794136145.db2.gz BEMSNFMGIBHCKG-GUYCJALGSA-N 0 3 321.469 2.480 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccn2c1nc(C)cc2C ZINC001175177473 794155846 /nfs/dbraw/zinc/15/58/46/794155846.db2.gz IOUJDILUNAUFOH-HNNXBMFYSA-N 0 3 312.417 2.331 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110183183 794162380 /nfs/dbraw/zinc/16/23/80/794162380.db2.gz MQVWFAMSZOCVQD-RANZSIQMSA-N 0 3 314.429 2.499 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001175469987 794214344 /nfs/dbraw/zinc/21/43/44/794214344.db2.gz XUAGQMDOCGLRCX-CYBMUJFWSA-N 0 3 321.469 2.480 20 30 DEEDHN CCN(CC)CC(=O)NC[C@@H](C)CNc1cccc(F)c1C#N ZINC001103981900 794337131 /nfs/dbraw/zinc/33/71/31/794337131.db2.gz SPNBOEWIVZIAFF-ZDUSSCGKSA-N 0 3 320.412 2.203 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001111776973 794476339 /nfs/dbraw/zinc/47/63/39/794476339.db2.gz IOMVNVNKERZBQM-JZXOWHBKSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001111949106 794532352 /nfs/dbraw/zinc/53/23/52/794532352.db2.gz NUEXXFXIDXTVHY-AOIWGVFYSA-N 0 3 313.445 2.433 20 30 DEEDHN CC(C)[C@@H](C(=O)N(CCCNCC#N)CC1CCCC1)N(C)C ZINC001177342399 794644119 /nfs/dbraw/zinc/64/41/19/794644119.db2.gz MJZFXWAUJUNTRR-KRWDZBQOSA-N 0 3 322.497 2.095 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCn2cccn2)CCCCC1 ZINC001115409988 794763723 /nfs/dbraw/zinc/76/37/23/794763723.db2.gz GVUBBNIPOIPMPO-UHFFFAOYSA-N 0 3 324.856 2.434 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CC2(O)CCC2)CCCCC1 ZINC001115526017 794810195 /nfs/dbraw/zinc/81/01/95/794810195.db2.gz VOIYHLSXHRVLSU-UHFFFAOYSA-N 0 3 314.857 2.453 20 30 DEEDHN C#CCCCC(=O)NCCCCCCNCc1cnns1 ZINC001178331591 794890492 /nfs/dbraw/zinc/89/04/92/794890492.db2.gz RZHLPWNKZOXTDK-UHFFFAOYSA-N 0 3 308.451 2.108 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001178338601 794890880 /nfs/dbraw/zinc/89/08/80/794890880.db2.gz FPZNGZYXXUKXTH-JSGCOSHPSA-N 0 3 323.824 2.017 20 30 DEEDHN CN(C)c1ccncc1NC(=O)C#Cc1ccc(F)cc1F ZINC001178565695 794952190 /nfs/dbraw/zinc/95/21/90/794952190.db2.gz ZWBHBHJSJYWKEO-UHFFFAOYSA-N 0 3 301.296 2.416 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178600340 794956391 /nfs/dbraw/zinc/95/63/91/794956391.db2.gz RKHOJHBLYKEMCG-HKUYNNGSSA-N 0 3 308.425 2.421 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)(C)CC)[C@@H]1C ZINC001178806014 794999674 /nfs/dbraw/zinc/99/96/74/794999674.db2.gz RSSAUKMWVYLHDR-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179235651 795082035 /nfs/dbraw/zinc/08/20/35/795082035.db2.gz YKLNJEFYYRAKDE-UHFFFAOYSA-N 0 3 307.442 2.092 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCCF ZINC001179332044 795101229 /nfs/dbraw/zinc/10/12/29/795101229.db2.gz ANJDJBRYLHQRHT-RDJZCZTQSA-N 0 3 302.393 2.367 20 30 DEEDHN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)C(C)C#N ZINC001179894452 795191892 /nfs/dbraw/zinc/19/18/92/795191892.db2.gz CQVBSZYJXWOSJO-CWRNSKLLSA-N 0 3 314.385 2.484 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001180332586 795284949 /nfs/dbraw/zinc/28/49/49/795284949.db2.gz RRDNQCHEZJOSBI-GFCCVEGCSA-N 0 3 323.824 2.257 20 30 DEEDHN O=C(NCC#Cc1ccccc1)NC[C@H]1Cc2ccccc2CN1 ZINC001119467273 795306489 /nfs/dbraw/zinc/30/64/89/795306489.db2.gz PSJQXIJCNCWSQL-LJQANCHMSA-N 0 3 319.408 2.052 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1ccc(CC)cc1 ZINC001180517394 795316313 /nfs/dbraw/zinc/31/63/13/795316313.db2.gz GAYXLAVDSOQJGR-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN CC(=O)CCCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC001180967463 795399496 /nfs/dbraw/zinc/39/94/96/795399496.db2.gz LDOVRWOCYNHCJX-QGZVFWFLSA-N 0 3 313.401 2.008 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](CC)OC)C2 ZINC001120781273 795530008 /nfs/dbraw/zinc/53/00/08/795530008.db2.gz HLUXKQWLUZNORW-PYYBWGNESA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)COC)C2 ZINC001120806851 795534286 /nfs/dbraw/zinc/53/42/86/795534286.db2.gz AYRXGRKCOJRZJV-JKUIUPISSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2csnc2C)CC1 ZINC001151075282 795578892 /nfs/dbraw/zinc/57/88/92/795578892.db2.gz RMWDMUJKKNAIHF-UHFFFAOYSA-N 0 3 323.462 2.238 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2cnc(C)s2)C1 ZINC001182108592 795605068 /nfs/dbraw/zinc/60/50/68/795605068.db2.gz OPUURQRJNTXNSH-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cnn(C(C)(C)C)c2)C1 ZINC001182215216 795627570 /nfs/dbraw/zinc/62/75/70/795627570.db2.gz OWGHEACXVBXZOE-MRXNPFEDSA-N 0 3 316.449 2.132 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2nccn2C)C1 ZINC001182437822 795675236 /nfs/dbraw/zinc/67/52/36/795675236.db2.gz SBIYMPFANYWEGQ-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC001121881942 795698874 /nfs/dbraw/zinc/69/88/74/795698874.db2.gz UCNMDLKIAMPGAG-DLBZAZTESA-N 0 3 320.433 2.307 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(F)cc3ccncc32)C1 ZINC001182669774 795724868 /nfs/dbraw/zinc/72/48/68/795724868.db2.gz AFIFCAKNWPMXGG-OAHLLOKOSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 ZINC001122134240 795730010 /nfs/dbraw/zinc/73/00/10/795730010.db2.gz NKSWRHWLPPCNPM-CVEARBPZSA-N 0 3 324.465 2.152 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCc2c(n(C)[nH]c2=O)C1 ZINC001122344987 795749140 /nfs/dbraw/zinc/74/91/40/795749140.db2.gz NQZREEDYEXTGBA-AWEZNQCLSA-N 0 3 322.453 2.088 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCCSC[C@@H]1c1cnn(C)c1 ZINC001122378178 795751881 /nfs/dbraw/zinc/75/18/81/795751881.db2.gz UJTLISABBHFYNI-HUUCEWRRSA-N 0 3 322.478 2.110 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001182919093 795772979 /nfs/dbraw/zinc/77/29/79/795772979.db2.gz ZFURINPTYUZANL-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN CC(C)[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)CCO1 ZINC001122607086 795784477 /nfs/dbraw/zinc/78/44/77/795784477.db2.gz VELAZTKBLHVXJR-IHRRRGAJSA-N 0 3 315.373 2.180 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@H](NC/C=C\Cl)C1)OCC ZINC001182973431 795791953 /nfs/dbraw/zinc/79/19/53/795791953.db2.gz KIZPBNCTTYPPBU-RKWPFYGESA-N 0 3 300.830 2.301 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)NCc2cccc(C)c2)COC1 ZINC001122897934 795817550 /nfs/dbraw/zinc/81/75/50/795817550.db2.gz OWJWQPPLQGFVOV-OAHLLOKOSA-N 0 3 314.385 2.137 20 30 DEEDHN C#CCSCC(=O)C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC001122979992 795834768 /nfs/dbraw/zinc/83/47/68/795834768.db2.gz HOMYCAGBSAZHPC-CABCVRRESA-N 0 3 314.410 2.329 20 30 DEEDHN C=CCC1(COC(=O)C2CCCN(C3CC3)C2=O)CCOCC1 ZINC001123292318 795887485 /nfs/dbraw/zinc/88/74/85/795887485.db2.gz VLOAYJYWRASPFH-HNNXBMFYSA-N 0 3 321.417 2.304 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC001184138520 795994344 /nfs/dbraw/zinc/99/43/44/795994344.db2.gz KCRKPBVMQMKRCK-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001184331091 796044254 /nfs/dbraw/zinc/04/42/54/796044254.db2.gz GLXZERLEHXDQCX-LLVKDONJSA-N 0 3 314.307 2.434 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2nccn2C)[C@@H](C)C1 ZINC001184496846 796065621 /nfs/dbraw/zinc/06/56/21/796065621.db2.gz GIZOHGUFAYPDOA-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001184498528 796072272 /nfs/dbraw/zinc/07/22/72/796072272.db2.gz SLUHXNPVTPMEFU-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](NCc2cncs2)C1 ZINC001184646426 796099141 /nfs/dbraw/zinc/09/91/41/796099141.db2.gz YNRJFORVIWBKDL-CJNGLKHVSA-N 0 3 323.462 2.062 20 30 DEEDHN O=C(NCCc1ccccc1)N1CCC2SC(=O)C=C2C1 ZINC001184918609 796152891 /nfs/dbraw/zinc/15/28/91/796152891.db2.gz NLDFFXCIPFCVHS-CQSZACIVSA-N 0 3 302.399 2.213 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2cc(C)ns2)C1 ZINC001185034637 796175453 /nfs/dbraw/zinc/17/54/53/796175453.db2.gz DNPWELMZXXRFJI-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@]3(CCCO3)C2)cc1OC ZINC001138343325 796201952 /nfs/dbraw/zinc/20/19/52/796201952.db2.gz JXELIBVUAALQJI-GOSISDBHSA-N 0 3 301.386 2.462 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@](C)(O)[C@H](C)C2)cc1OC ZINC001138344182 796202104 /nfs/dbraw/zinc/20/21/04/796202104.db2.gz ZVTBMDJGKXMTMF-RDTXWAMCSA-N 0 3 303.402 2.300 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@]23CCOC3)cc1OC ZINC001138348417 796202898 /nfs/dbraw/zinc/20/28/98/796202898.db2.gz JHROTNBQTLOLEM-GOSISDBHSA-N 0 3 301.386 2.462 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2ocnc2C)C12CCC2 ZINC001202845565 796240963 /nfs/dbraw/zinc/24/09/63/796240963.db2.gz DHDBXJPPFDMPMJ-HOTGVXAUSA-N 0 3 315.417 2.304 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H](NCc2ocnc2C)C12CCC2 ZINC001202845567 796241057 /nfs/dbraw/zinc/24/10/57/796241057.db2.gz DHDBXJPPFDMPMJ-JKSUJKDBSA-N 0 3 315.417 2.304 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202846286 796242716 /nfs/dbraw/zinc/24/27/16/796242716.db2.gz JIFPKFUFXLASQW-CABCVRRESA-N 0 3 317.458 2.464 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H](NCc2cnc(C)o2)C12CCC2 ZINC001202847451 796244893 /nfs/dbraw/zinc/24/48/93/796244893.db2.gz SRZQWJWUWHNFIB-JKSUJKDBSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCc1cccc(C[NH+]2CC3(C2)CCN(C(C)=O)C3)c1[O-] ZINC001138628900 796246265 /nfs/dbraw/zinc/24/62/65/796246265.db2.gz JDCQWHPZHHHYBJ-UHFFFAOYSA-N 0 3 300.402 2.175 20 30 DEEDHN C=CCc1cccc(CN2CC3(C2)CCN(C(C)=O)C3)c1O ZINC001138628900 796246269 /nfs/dbraw/zinc/24/62/69/796246269.db2.gz JDCQWHPZHHHYBJ-UHFFFAOYSA-N 0 3 300.402 2.175 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202855460 796257613 /nfs/dbraw/zinc/25/76/13/796257613.db2.gz HOJXMMQVKUMQKC-OLZOCXBDSA-N 0 3 322.840 2.112 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001185616255 796294269 /nfs/dbraw/zinc/29/42/69/796294269.db2.gz ODYWFLFXOIDWFK-MRXNPFEDSA-N 0 3 302.393 2.317 20 30 DEEDHN CCCCC[C@H](C)CC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001186129405 796365047 /nfs/dbraw/zinc/36/50/47/796365047.db2.gz JJFLEEPRTMMAIO-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN CN1CC2(C1)CN(Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139404452 796370822 /nfs/dbraw/zinc/37/08/22/796370822.db2.gz HUEVZHDMSVUYGR-UHFFFAOYSA-N 0 3 304.397 2.368 20 30 DEEDHN C=CC1(CC(=O)N2CC[C@@H](NCC#CCOC)C2)CCCCC1 ZINC001186280953 796383780 /nfs/dbraw/zinc/38/37/80/796383780.db2.gz QRLWHUUFPIBNHJ-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN N#Cc1cccc2c(CN3CC[C@H](Oc4cnccn4)C3)c[nH]c21 ZINC001139706860 796413704 /nfs/dbraw/zinc/41/37/04/796413704.db2.gz ALOAQQKELDMKNU-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3c[nH]c4c3cccc4C#N)C[C@H]21 ZINC001139705756 796413738 /nfs/dbraw/zinc/41/37/38/796413738.db2.gz ZBPOJHFQUUSSNC-VQFNDLOPSA-N 0 3 322.412 2.242 20 30 DEEDHN Cc1ccc(CN2CCN(CCC(C)(C)O)CC2)cc1C#N ZINC001139726975 796417925 /nfs/dbraw/zinc/41/79/25/796417925.db2.gz DUGZGTOMCQYAPE-UHFFFAOYSA-N 0 3 301.434 2.145 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001186785396 796443667 /nfs/dbraw/zinc/44/36/67/796443667.db2.gz MJQVVJOKBIDQOU-DOTOQJQBSA-N 0 3 318.417 2.245 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@@]4(CCNC4=O)C3)c2c1 ZINC001140113379 796478908 /nfs/dbraw/zinc/47/89/08/796478908.db2.gz YOGOMPNGYZRDEH-GOSISDBHSA-N 0 3 308.385 2.142 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOc2ccc(C)cc2)C1 ZINC001187608830 796556230 /nfs/dbraw/zinc/55/62/30/796556230.db2.gz PPROOTJXXBFWHI-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1nccnc1C)C2 ZINC001140936518 796601945 /nfs/dbraw/zinc/60/19/45/796601945.db2.gz QUGYZAGZMZUGCH-MSOLQXFVSA-N 0 3 317.433 2.359 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001188405690 796671192 /nfs/dbraw/zinc/67/11/92/796671192.db2.gz VMBRQMQSBGFWIR-QGZVFWFLSA-N 0 3 313.445 2.360 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)c(OC)c1C ZINC000838624007 796671969 /nfs/dbraw/zinc/67/19/69/796671969.db2.gz BSWVLPZWEWDPRK-UHFFFAOYSA-N 0 3 303.406 2.389 20 30 DEEDHN N#Cc1ccc(Br)c(CN2CCN3CC[C@@H]3C2)c1 ZINC001141664374 796682876 /nfs/dbraw/zinc/68/28/76/796682876.db2.gz JFWLCKFZKLYMHD-CYBMUJFWSA-N 0 3 306.207 2.211 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC001188653719 796696802 /nfs/dbraw/zinc/69/68/02/796696802.db2.gz WMWNCRKFWYWAOK-XHPSBEMXSA-N 0 3 304.390 2.028 20 30 DEEDHN O=C(/C=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCN(C2CC2)C1 ZINC001142005289 796706454 /nfs/dbraw/zinc/70/64/54/796706454.db2.gz YSMSQOJTZMCBDB-SMDADKPZSA-N 0 3 316.376 2.009 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001188875316 796730202 /nfs/dbraw/zinc/73/02/02/796730202.db2.gz GJFCEVKTLTZUDD-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001189390516 796816788 /nfs/dbraw/zinc/81/67/88/796816788.db2.gz CRLXGIIYSVISSU-WNRNVDISSA-N 0 3 318.461 2.158 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001189640115 796854111 /nfs/dbraw/zinc/85/41/11/796854111.db2.gz JONQICIHCNAADP-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)CCOCC(C)C)C1 ZINC001189743761 796875539 /nfs/dbraw/zinc/87/55/39/796875539.db2.gz IRGUTNNTECHKPZ-QGZVFWFLSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(C)(C)C(F)F)C1 ZINC001150290873 796932863 /nfs/dbraw/zinc/93/28/63/796932863.db2.gz HRSXZEYHOUGYDK-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@@H](C)C3CC3)[C@@H]2C1 ZINC001190363144 796989107 /nfs/dbraw/zinc/98/91/07/796989107.db2.gz CXTNQQSKRRNAHU-HYVNUMGLSA-N 0 3 306.450 2.158 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 ZINC001190767329 797071833 /nfs/dbraw/zinc/07/18/33/797071833.db2.gz AQLPEPPGIMYRPK-CZDHMLMNSA-N 0 3 320.433 2.425 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)[C@H]1CCCO1 ZINC001151756148 797090692 /nfs/dbraw/zinc/09/06/92/797090692.db2.gz RSTVRLLNUTYDPV-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@H]1CC[C@H](CCC(=O)NCCNCc2ccc(C#N)cc2)O1 ZINC001151795027 797096349 /nfs/dbraw/zinc/09/63/49/797096349.db2.gz QTNXCXRDXYBZCO-WMLDXEAASA-N 0 3 315.417 2.112 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001151848087 797106262 /nfs/dbraw/zinc/10/62/62/797106262.db2.gz DZUNPQPSAIVOLR-GJZGRUSLSA-N 0 3 313.486 2.213 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)NCCNCC(=O)NCC ZINC001151848007 797106902 /nfs/dbraw/zinc/10/69/02/797106902.db2.gz DLNNRDTXEBIUNK-HNNXBMFYSA-N 0 3 313.486 2.215 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2cn(C)nc2C)CCCCC1 ZINC001152010764 797131770 /nfs/dbraw/zinc/13/17/70/797131770.db2.gz OFHNUJWIZSMIEF-UHFFFAOYSA-N 0 3 318.465 2.461 20 30 DEEDHN CCCOCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152221455 797159175 /nfs/dbraw/zinc/15/91/75/797159175.db2.gz QPNGMTIVICMLDN-OAHLLOKOSA-N 0 3 317.433 2.311 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2c(C)cncc2C)C1 ZINC001191319283 797180428 /nfs/dbraw/zinc/18/04/28/797180428.db2.gz HQEAIYZTXHUHIC-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)c1cocn1 ZINC001152459427 797190947 /nfs/dbraw/zinc/19/09/47/797190947.db2.gz CKYBUHRNWCVDHC-CYBMUJFWSA-N 0 3 312.373 2.187 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(C)n2)C1 ZINC001191361301 797191464 /nfs/dbraw/zinc/19/14/64/797191464.db2.gz YJCUAUJXBXUQHS-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ncc(C)cc2C)C1 ZINC001191459209 797211054 /nfs/dbraw/zinc/21/10/54/797211054.db2.gz LMEKBLWKHNLWEM-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN CCN(Cc1cccc(OC)c1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232878 797304325 /nfs/dbraw/zinc/30/43/25/797304325.db2.gz NWUPJSVRLUQLAG-OAHLLOKOSA-N 0 3 314.429 2.435 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC001192059678 797315698 /nfs/dbraw/zinc/31/56/98/797315698.db2.gz IXKBCDSIDUVIQC-MRXNPFEDSA-N 0 3 320.408 2.483 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001153306975 797318744 /nfs/dbraw/zinc/31/87/44/797318744.db2.gz YBWCICJKQUCJOL-CABCVRRESA-N 0 3 320.408 2.191 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001192125273 797322916 /nfs/dbraw/zinc/32/29/16/797322916.db2.gz GHMJJKVPQHDYPA-STQMWFEESA-N 0 3 322.371 2.310 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(F)cc2ccncc21 ZINC001153424968 797337570 /nfs/dbraw/zinc/33/75/70/797337570.db2.gz SSMBCJDGBWKAAU-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N[C@@H](C)CC)CCCCC1 ZINC001152010055 797339389 /nfs/dbraw/zinc/33/93/89/797339389.db2.gz ADKJOWHIBJQSLV-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN C#CC[C@H](CC(=O)NCCNCc1cccnc1)c1ccccc1 ZINC001153714461 797380457 /nfs/dbraw/zinc/38/04/57/797380457.db2.gz MLPYDHSQAQVGQQ-LJQANCHMSA-N 0 3 321.424 2.485 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1conc1C1CCCC1 ZINC001153791002 797395976 /nfs/dbraw/zinc/39/59/76/797395976.db2.gz SNZCITCSMLPPNR-CYBMUJFWSA-N 0 3 303.406 2.406 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cncn1-c1ccccc1 ZINC001153831124 797405533 /nfs/dbraw/zinc/40/55/33/797405533.db2.gz WLQOQNQSQOTLGK-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001192750184 797448613 /nfs/dbraw/zinc/44/86/13/797448613.db2.gz VFFSFZZMJDLAFR-CVEARBPZSA-N 0 3 320.433 2.427 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C(C)C)nn1CC ZINC001154159136 797475493 /nfs/dbraw/zinc/47/54/93/797475493.db2.gz QCMSJCUKUHKVID-OAHLLOKOSA-N 0 3 318.465 2.490 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1n[nH]c(C2CC2)c1Cl ZINC001154167581 797477085 /nfs/dbraw/zinc/47/70/85/797477085.db2.gz LDNNKNTVORNJOQ-SNVBAGLBSA-N 0 3 308.813 2.014 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001154278588 797502637 /nfs/dbraw/zinc/50/26/37/797502637.db2.gz GZEBPKYXQLEXKT-CYBMUJFWSA-N 0 3 312.417 2.335 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001193201534 797519874 /nfs/dbraw/zinc/51/98/74/797519874.db2.gz LPKQLNWUTDCIOC-GVDBMIGSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001193241621 797528583 /nfs/dbraw/zinc/52/85/83/797528583.db2.gz VPMYBYKOQJGSBM-QZTJIDSGSA-N 0 3 320.477 2.496 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001193304056 797541265 /nfs/dbraw/zinc/54/12/65/797541265.db2.gz KKEBFONFQWHCOP-BPLDGKMQSA-N 0 3 322.474 2.495 20 30 DEEDHN CC#CCN(C)[C@@H]1CCN(C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001193339396 797548134 /nfs/dbraw/zinc/54/81/34/797548134.db2.gz KWLUNQAQXQOYFF-CQSZACIVSA-N 0 3 302.422 2.011 20 30 DEEDHN CC#CCN(C)[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001193339396 797548139 /nfs/dbraw/zinc/54/81/39/797548139.db2.gz KWLUNQAQXQOYFF-CQSZACIVSA-N 0 3 302.422 2.011 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H]1O ZINC001193400094 797559062 /nfs/dbraw/zinc/55/90/62/797559062.db2.gz IXKJJEITDSINAJ-KZNAEPCWSA-N 0 3 314.429 2.192 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001193417110 797563752 /nfs/dbraw/zinc/56/37/52/797563752.db2.gz MAYODHOAZCBWOW-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CC1CC(C)(C)C1 ZINC001154806765 797615412 /nfs/dbraw/zinc/61/54/12/797615412.db2.gz UVWLKNRGTPNGIZ-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)CC[C@H]1CCCO1 ZINC001154878103 797631057 /nfs/dbraw/zinc/63/10/57/797631057.db2.gz DCBPVCGGFTYMIW-QGZVFWFLSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCc2cccs2)C1 ZINC001193931046 797644093 /nfs/dbraw/zinc/64/40/93/797644093.db2.gz NSULIHJSGMLTFW-HNNXBMFYSA-N 0 3 322.474 2.416 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2nc(CCC)no2)C1 ZINC001194011599 797662638 /nfs/dbraw/zinc/66/26/38/797662638.db2.gz VNACUJYCMPOEOZ-AWEZNQCLSA-N 0 3 320.437 2.064 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001155142040 797693430 /nfs/dbraw/zinc/69/34/30/797693430.db2.gz PPFQMMFMSLRSDX-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@H](N(C)CCOC)C2)CCCCC1 ZINC001194368381 797714708 /nfs/dbraw/zinc/71/47/08/797714708.db2.gz RWJLJBGTAGWTQS-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN COC(=O)c1cc(C#N)cnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001155256824 797718603 /nfs/dbraw/zinc/71/86/03/797718603.db2.gz SGKSGLCZRFAARG-SNVBAGLBSA-N 0 3 321.340 2.098 20 30 DEEDHN CCO[C@H](CC)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155335039 797736329 /nfs/dbraw/zinc/73/63/29/797736329.db2.gz BNDPFDVSTDJRKG-MRXNPFEDSA-N 0 3 321.396 2.108 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(CC)cn1 ZINC001155367372 797742359 /nfs/dbraw/zinc/74/23/59/797742359.db2.gz ULJNAUQIGYDHER-OAHLLOKOSA-N 0 3 301.434 2.036 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H](F)c1ccccc1 ZINC001155502943 797774622 /nfs/dbraw/zinc/77/46/22/797774622.db2.gz FMLLBTIZFYRTKX-NVXWUHKLSA-N 0 3 320.408 2.174 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccc(Cl)cc1 ZINC001155593618 797798730 /nfs/dbraw/zinc/79/87/30/797798730.db2.gz MNAZQBJHXSOMDN-UHFFFAOYSA-N 0 3 323.824 2.341 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001155688368 797827224 /nfs/dbraw/zinc/82/72/24/797827224.db2.gz PMGGOWHSDMJWLF-CHWSQXEVSA-N 0 3 321.446 2.068 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCc2cccc(C)c2)C1 ZINC001195080362 797828767 /nfs/dbraw/zinc/82/87/67/797828767.db2.gz FLWNHEMDSPPZGA-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCCC#CC)C1 ZINC001195466605 797908619 /nfs/dbraw/zinc/90/86/19/797908619.db2.gz BZRHSWGSCJWAMF-IAGOWNOFSA-N 0 3 306.450 2.088 20 30 DEEDHN O=C1C=C2CN(C(=S)NCc3ccccc3)CCC2S1 ZINC001195603881 797928220 /nfs/dbraw/zinc/92/82/20/797928220.db2.gz KPDVXPRXLCMEPV-CYBMUJFWSA-N 0 3 304.440 2.335 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(C2CCCCC2)c1 ZINC001156214027 797950528 /nfs/dbraw/zinc/95/05/28/797950528.db2.gz AQKJLAHRCYHSGY-OAHLLOKOSA-N 0 3 316.449 2.462 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(OCCC)c1 ZINC001156299281 797969707 /nfs/dbraw/zinc/96/97/07/797969707.db2.gz RBMHFESISBMBJO-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCOc1ccccc1CC ZINC001156335910 797977906 /nfs/dbraw/zinc/97/79/06/797977906.db2.gz SIDKVSQVKWQOBS-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCCN(CCC[C@@H](C)O)CC1 ZINC001195966423 797985377 /nfs/dbraw/zinc/98/53/77/797985377.db2.gz CZMWYTMDBNDVCB-MRXNPFEDSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001196083587 798003710 /nfs/dbraw/zinc/00/37/10/798003710.db2.gz REXJWTWWJWBSQO-KBRIMQKVSA-N 0 3 320.408 2.057 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(F)ccc(OC)c1F ZINC001156525211 798022797 /nfs/dbraw/zinc/02/27/97/798022797.db2.gz JDSXZFFYQPOJPD-GFCCVEGCSA-N 0 3 324.371 2.437 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2CN(C)CC2(C)C)cc1 ZINC001156599474 798039299 /nfs/dbraw/zinc/03/92/99/798039299.db2.gz ZYZRIMQTLKTDAJ-INIZCTEOSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H]1OCc2ccccc21 ZINC001156641571 798050570 /nfs/dbraw/zinc/05/05/70/798050570.db2.gz GFQPMKKXNHFXHT-CRAIPNDOSA-N 0 3 314.429 2.498 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC001156672472 798059291 /nfs/dbraw/zinc/05/92/91/798059291.db2.gz PRGGDOOMUUTUAP-BBRMVZONSA-N 0 3 304.438 2.042 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@@H](C)SC ZINC001156744361 798066093 /nfs/dbraw/zinc/06/60/93/798066093.db2.gz DBAUFMHXEWFTDP-SNVBAGLBSA-N 0 3 309.273 2.133 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1c(C)onc1CC ZINC001156811136 798086209 /nfs/dbraw/zinc/08/62/09/798086209.db2.gz BXJBXLOBJMYTPK-UHFFFAOYSA-N 0 3 305.422 2.335 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCN(CCCCOC)CC2)cc1 ZINC001196711165 798094651 /nfs/dbraw/zinc/09/46/51/798094651.db2.gz TXABYYZUFZZYNP-UHFFFAOYSA-N 0 3 314.429 2.242 20 30 DEEDHN CO[C@H](C)CCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156901154 798104460 /nfs/dbraw/zinc/10/44/60/798104460.db2.gz GJORCCRECFFOQW-CYBMUJFWSA-N 0 3 321.396 2.108 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001157000508 798125542 /nfs/dbraw/zinc/12/55/42/798125542.db2.gz NAHMCBDXVUVUAE-ZIAGYGMSSA-N 0 3 318.465 2.055 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)Cc1ccc[nH]1 ZINC001157030710 798129643 /nfs/dbraw/zinc/12/96/43/798129643.db2.gz KEEDCFIHGCICAH-OAHLLOKOSA-N 0 3 324.428 2.456 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)/C=C\c1ccc[nH]1 ZINC001157080978 798139772 /nfs/dbraw/zinc/13/97/72/798139772.db2.gz QIGWVDGIXOTHDZ-HJWRWDBZSA-N 0 3 308.385 2.196 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CC(C1CC1)C1CC1 ZINC001157145386 798149794 /nfs/dbraw/zinc/14/97/94/798149794.db2.gz CBZRCHSBVHRESE-OAHLLOKOSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001157241322 798169020 /nfs/dbraw/zinc/16/90/20/798169020.db2.gz HOMASJPNLCDMII-HUUCEWRRSA-N 0 3 304.409 2.464 20 30 DEEDHN C=CC1(CC(=O)N2CCCN(C[C@H](C)O)CC2)CCCCC1 ZINC001197440933 798185256 /nfs/dbraw/zinc/18/52/56/798185256.db2.gz SMJHGBWWAJJOSE-INIZCTEOSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001197450239 798186171 /nfs/dbraw/zinc/18/61/71/798186171.db2.gz LJTUUANTQIKGHY-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001197479439 798193398 /nfs/dbraw/zinc/19/33/98/798193398.db2.gz XMFHEDVQRGHCEQ-RBSFLKMASA-N 0 3 312.429 2.175 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1cccc(C#N)c1 ZINC001197736664 798233223 /nfs/dbraw/zinc/23/32/23/798233223.db2.gz YJQLHQDGIPDVAS-HNNXBMFYSA-N 0 3 300.431 2.495 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC(F)(F)F ZINC001157630304 798245677 /nfs/dbraw/zinc/24/56/77/798245677.db2.gz MYQVKDDUVABIOU-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)C1=COCCC1 ZINC001157662014 798252233 /nfs/dbraw/zinc/25/22/33/798252233.db2.gz UGDJQFMAYZWRFF-QGZVFWFLSA-N 0 3 322.449 2.196 20 30 DEEDHN N#Cc1ccc([N+](=O)[O-])c(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001157759924 798272554 /nfs/dbraw/zinc/27/25/54/798272554.db2.gz XFMLAFMRVRWOCJ-AWEZNQCLSA-N 0 3 309.329 2.012 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001157880497 798297111 /nfs/dbraw/zinc/29/71/11/798297111.db2.gz PLGJVELTLXLRJB-QWHCGFSZSA-N 0 3 324.371 2.160 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccnc2[nH]cnc21 ZINC001158011765 798327874 /nfs/dbraw/zinc/32/78/74/798327874.db2.gz OGRLRACYYRKOJS-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN N#Cc1ccc(NC(=O)c2cncn2-c2ccncc2)c(O)c1 ZINC001198552725 798360416 /nfs/dbraw/zinc/36/04/16/798360416.db2.gz RNDBTTFHCXMWPJ-UHFFFAOYSA-N 0 3 305.297 2.097 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c(C)nn(C)c1C ZINC001158289967 798377110 /nfs/dbraw/zinc/37/71/10/798377110.db2.gz PUMCKGYSKZIJEW-OAHLLOKOSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnn(CC)c1C ZINC001158639248 798442165 /nfs/dbraw/zinc/44/21/65/798442165.db2.gz HMANRLSJQMGCEK-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001158684323 798450444 /nfs/dbraw/zinc/45/04/44/798450444.db2.gz UOCGHTZPEDCKEJ-GFCCVEGCSA-N 0 3 314.788 2.441 20 30 DEEDHN Cc1cc(C(=O)NCCCNCc2ccccc2C#N)cc(C)n1 ZINC001158936690 798492047 /nfs/dbraw/zinc/49/20/47/798492047.db2.gz JYHAXIUFDGTUHT-UHFFFAOYSA-N 0 3 322.412 2.480 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001199567189 798500296 /nfs/dbraw/zinc/50/02/96/798500296.db2.gz LNTGPHBZARDVAO-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)Nc1ccccc1C ZINC001159015244 798506283 /nfs/dbraw/zinc/50/62/83/798506283.db2.gz WAAVZJSICMXWPT-UHFFFAOYSA-N 0 3 317.433 2.386 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)Nc1cccc(F)c1 ZINC001159040500 798512209 /nfs/dbraw/zinc/51/22/09/798512209.db2.gz PUNBPZVCCCJKOA-UHFFFAOYSA-N 0 3 321.396 2.216 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001110539381 798515069 /nfs/dbraw/zinc/51/50/69/798515069.db2.gz QPGNTGBWJJWJPC-QRVBRYPASA-N 0 3 308.425 2.364 20 30 DEEDHN C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CCCO1 ZINC001199887564 798559419 /nfs/dbraw/zinc/55/94/19/798559419.db2.gz WOQBZIQFPQRYDW-HNNXBMFYSA-N 0 3 318.417 2.179 20 30 DEEDHN C[C@H](Nc1cc(C#C[Si](C)(C)C)ccn1)[C@@H]1CNCCO1 ZINC001159503220 798574915 /nfs/dbraw/zinc/57/49/15/798574915.db2.gz VAIDYENHMMTLDE-ZFWWWQNUSA-N 0 3 303.482 2.099 20 30 DEEDHN C[C@@H](Nc1cc(C#C[Si](C)(C)C)ccn1)[C@@H]1CNCCO1 ZINC001159503218 798575195 /nfs/dbraw/zinc/57/51/95/798575195.db2.gz VAIDYENHMMTLDE-HIFRSBDPSA-N 0 3 303.482 2.099 20 30 DEEDHN C#CCCCCC(=O)N1CCCO[C@H](CNC/C=C/Cl)C1 ZINC001200322828 798615257 /nfs/dbraw/zinc/61/52/57/798615257.db2.gz SYZFDNNALCEKOO-RZIFZGNASA-N 0 3 312.841 2.140 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200335198 798616731 /nfs/dbraw/zinc/61/67/31/798616731.db2.gz XYFAPNZCTXALLW-RBJHHQRMSA-N 0 3 321.248 2.213 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2=CCCCCC2)CCCO1 ZINC001200361830 798619928 /nfs/dbraw/zinc/61/99/28/798619928.db2.gz YRZAAKXTUKFNNX-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN N#Cc1ncc(Cl)cc1NC(=S)NCCN1CCCCC1 ZINC001200421243 798634965 /nfs/dbraw/zinc/63/49/65/798634965.db2.gz IORVXNPATVQFDO-UHFFFAOYSA-N 0 3 323.853 2.379 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@H](CNC/C=C/Cl)C2)CCC1 ZINC001200680268 798665004 /nfs/dbraw/zinc/66/50/04/798665004.db2.gz NHWRTQYMEKCQDZ-BCFOUKGLSA-N 0 3 324.852 2.140 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2nccn2CC)CC1 ZINC001200815158 798680592 /nfs/dbraw/zinc/68/05/92/798680592.db2.gz BXJFXJZJQFLKMV-UHFFFAOYSA-N 0 3 304.438 2.340 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)C2(C3CC3)CC2)c(F)c1 ZINC001160551159 798703573 /nfs/dbraw/zinc/70/35/73/798703573.db2.gz QFBQNHINUUPLMK-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC001160622437 798713253 /nfs/dbraw/zinc/71/32/53/798713253.db2.gz DFAOPHYRLLZSFO-SFHVURJKSA-N 0 3 312.413 2.315 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2nc(C)c(C)nc2C)CC1 ZINC001160649517 798715572 /nfs/dbraw/zinc/71/55/72/798715572.db2.gz YUJHEVLVMRICFD-UHFFFAOYSA-N 0 3 314.433 2.340 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001160760659 798736810 /nfs/dbraw/zinc/73/68/10/798736810.db2.gz FOLPCWJPLIUZIL-UHFFFAOYSA-N 0 3 311.429 2.392 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)nc2c1ncn2C ZINC001160952951 798769402 /nfs/dbraw/zinc/76/94/02/798769402.db2.gz KIQUUZXZQGQCKW-JTQLQIEISA-N 0 3 306.801 2.079 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)C2(c3cccnc3)CC2)CC1 ZINC001160986344 798775554 /nfs/dbraw/zinc/77/55/54/798775554.db2.gz PNIWWWBWPLMAJK-UHFFFAOYSA-N 0 3 311.429 2.438 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@H](C)CCCCCC)CCCO1 ZINC001201695841 798786913 /nfs/dbraw/zinc/78/69/13/798786913.db2.gz RFRJVRNVHNNDOM-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Br)CNCCCNC(=O)Cc1ccccc1 ZINC001161124753 798800026 /nfs/dbraw/zinc/80/00/26/798800026.db2.gz KNCWTTYGRGDXJL-UHFFFAOYSA-N 0 3 311.223 2.234 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC001202091787 798826911 /nfs/dbraw/zinc/82/69/11/798826911.db2.gz AHKWTNISJBAGHB-HUUCEWRRSA-N 0 3 318.465 2.442 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001202130967 798830579 /nfs/dbraw/zinc/83/05/79/798830579.db2.gz QQVLYNNQHXZNKJ-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202139772 798831981 /nfs/dbraw/zinc/83/19/81/798831981.db2.gz YWIQEDGODIWFFQ-OAHLLOKOSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)CCCO1 ZINC001202174663 798836694 /nfs/dbraw/zinc/83/66/94/798836694.db2.gz XQWHRIIUGAEXSO-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2nc(C)ncc2Cl)CC1 ZINC001161405068 798848538 /nfs/dbraw/zinc/84/85/38/798848538.db2.gz VMRBXWALJKLVKU-UHFFFAOYSA-N 0 3 320.824 2.376 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnn(CC3CC3)c2)CC1 ZINC001161655329 798904121 /nfs/dbraw/zinc/90/41/21/798904121.db2.gz HBJZNKSBAYVEGN-UHFFFAOYSA-N 0 3 314.433 2.231 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001161779554 798934798 /nfs/dbraw/zinc/93/47/98/798934798.db2.gz MTUXJQFGMICGRE-SJLPKXTDSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(N2CCCC2)ccn1 ZINC001161994833 798988294 /nfs/dbraw/zinc/98/82/94/798988294.db2.gz FSYOKHIHSCHECH-UHFFFAOYSA-N 0 3 322.840 2.144 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)(F)F)C2 ZINC001110735082 798996867 /nfs/dbraw/zinc/99/68/67/798996867.db2.gz UCIRONVDEBDOES-MCIONIFRSA-N 0 3 316.392 2.346 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ncccc2OCC)CC1 ZINC001162021894 798997014 /nfs/dbraw/zinc/99/70/14/798997014.db2.gz WXUYSAHDLIOOIY-UHFFFAOYSA-N 0 3 315.417 2.418 20 30 DEEDHN CC#CCN1CCC(CNC(=O)/C=C/C(C)(C)C)(COC)CC1 ZINC001162171306 799025949 /nfs/dbraw/zinc/02/59/49/799025949.db2.gz NAVRGLVLHOVWEZ-CMDGGOBGSA-N 0 3 320.477 2.457 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001114341198 799060807 /nfs/dbraw/zinc/06/08/07/799060807.db2.gz VFHZIABQKQXUMP-QLPKVWCKSA-N 0 3 306.450 2.204 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCC(C)C)C[C@H]21 ZINC001114342992 799063088 /nfs/dbraw/zinc/06/30/88/799063088.db2.gz GGBIRRDOIYZEDJ-VQFNDLOPSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)[C@H](C)CC)(COC)CC1 ZINC001162557275 799116340 /nfs/dbraw/zinc/11/63/40/799116340.db2.gz CIWJCZFBJURMDY-HZPDHXFCSA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)C2CCCC2)(COC)CC1 ZINC001162576499 799122019 /nfs/dbraw/zinc/12/20/19/799122019.db2.gz HEDRCYXLGHPHKO-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CSC(C)C ZINC001162702025 799151797 /nfs/dbraw/zinc/15/17/97/799151797.db2.gz HXMSYZYZZVYYGX-UHFFFAOYSA-N 0 3 318.486 2.422 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1cscn1 ZINC001162738077 799162845 /nfs/dbraw/zinc/16/28/45/799162845.db2.gz WOGIZUUJXCQVKP-UHFFFAOYSA-N 0 3 313.426 2.051 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1c(C)ccn1C ZINC001162784591 799172734 /nfs/dbraw/zinc/17/27/34/799172734.db2.gz SUSUSZHCXQDXLH-UHFFFAOYSA-N 0 3 323.440 2.241 20 30 DEEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137124255 799199097 /nfs/dbraw/zinc/19/90/97/799199097.db2.gz ZKNSRSSOCOBFAI-OAHLLOKOSA-N 0 3 302.374 2.364 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N(CCNCCF)CCc1ccccc1 ZINC001163007627 799221485 /nfs/dbraw/zinc/22/14/85/799221485.db2.gz WBLFLGXVXKKJCE-INIZCTEOSA-N 0 3 322.424 2.208 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)C(F)F)CCN1Cc1ccc(C#N)cc1 ZINC000946952233 799230485 /nfs/dbraw/zinc/23/04/85/799230485.db2.gz JKDKSUYWRUYJMI-SMDDNHRTSA-N 0 3 307.344 2.292 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001163128796 799253352 /nfs/dbraw/zinc/25/33/52/799253352.db2.gz BCLYJXIILONLGP-DABQJJPHSA-N 0 3 315.255 2.427 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)CC1 ZINC001006352120 799264070 /nfs/dbraw/zinc/26/40/70/799264070.db2.gz AATBDYHHRNRWPP-AWEZNQCLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@@H](NCc2snnc2C)C12CCC2 ZINC001202616559 799288091 /nfs/dbraw/zinc/28/80/91/799288091.db2.gz IAWZBIBRDKQCQH-ZIAGYGMSSA-N 0 3 320.462 2.330 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cnc(C)o2)C12CCC2 ZINC001202616474 799288253 /nfs/dbraw/zinc/28/82/53/799288253.db2.gz HGMMBYDIRDGHES-GJZGRUSLSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2nccnc2C)C12CCC2 ZINC001202619061 799289959 /nfs/dbraw/zinc/28/99/59/799289959.db2.gz 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C=CCCC(=O)N1CCC(CN[C@@H](C)c2cnccn2)CC1 ZINC001204753839 800253786 /nfs/dbraw/zinc/25/37/86/800253786.db2.gz QUQFZFUPIUOUNW-AWEZNQCLSA-N 0 3 302.422 2.332 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)/C(C)=C\CC)[C@@H]3COC[C@@H]32)CC1 ZINC001205482474 800362409 /nfs/dbraw/zinc/36/24/09/800362409.db2.gz VGEIBVWVXKJBIM-AKLXSSKXSA-N 0 3 318.461 2.468 20 30 DEEDHN C=CCCCC(=O)N1CC2(CCN(CC=C)CC2)[C@H]2COC[C@H]21 ZINC001205510711 800366493 /nfs/dbraw/zinc/36/64/93/800366493.db2.gz CUZYAYILXVUFBC-DLBZAZTESA-N 0 3 318.461 2.468 20 30 DEEDHN Cc1cccnc1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001205799737 800422998 /nfs/dbraw/zinc/42/29/98/800422998.db2.gz FUTSZXIDGVJQAV-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CCc2scnc2C)C[C@H]1C ZINC001206913651 800625627 /nfs/dbraw/zinc/62/56/27/800625627.db2.gz SUZUXGFGUWXRFD-UKRRQHHQSA-N 0 3 319.474 2.234 20 30 DEEDHN CC(C)(F)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207048541 800667034 /nfs/dbraw/zinc/66/70/34/800667034.db2.gz WHNHMMMZVFVXNV-MRXNPFEDSA-N 0 3 302.393 2.367 20 30 DEEDHN Cn1cccc1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207328685 800730732 /nfs/dbraw/zinc/73/07/32/800730732.db2.gz KMEXDABILDTLNC-SFHVURJKSA-N 0 3 321.424 2.271 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207464123 800759024 /nfs/dbraw/zinc/75/90/24/800759024.db2.gz SGCXCDSWTUXUHX-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccccn2)C1 ZINC001207618999 800789501 /nfs/dbraw/zinc/78/95/01/800789501.db2.gz SVSNAUYUFXYRRR-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](NCc2ccccn2)C1 ZINC001207619000 800790043 /nfs/dbraw/zinc/79/00/43/800790043.db2.gz SVSNAUYUFXYRRR-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cncs2)C1 ZINC001207622348 800791232 /nfs/dbraw/zinc/79/12/32/800791232.db2.gz FREMYWBAKGYKKX-KBPBESRZSA-N 0 3 323.462 2.205 20 30 DEEDHN CO[C@H](C)CC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207646070 800796800 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ZINC001209453631 801193729 /nfs/dbraw/zinc/19/37/29/801193729.db2.gz BKEZOOBYWRJSLF-CRAIPNDOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001229016594 801208842 /nfs/dbraw/zinc/20/88/42/801208842.db2.gz LKARTEZVRNEOKU-SFHVURJKSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCC1(C(=O)NC2CCN(CCn3cccn3)CC2)CCC1 ZINC001229024881 801210354 /nfs/dbraw/zinc/21/03/54/801210354.db2.gz PHMJJMVTRVBHRX-UHFFFAOYSA-N 0 3 316.449 2.210 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001229058464 801216695 /nfs/dbraw/zinc/21/66/95/801216695.db2.gz MXGJCIXPJZSEJU-UHFFFAOYSA-N 0 3 311.813 2.065 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2csc(C)c2)CC1 ZINC001229610348 801296509 /nfs/dbraw/zinc/29/65/09/801296509.db2.gz NVNQAKHNAHVBNX-UHFFFAOYSA-N 0 3 308.447 2.453 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001210051856 801326668 /nfs/dbraw/zinc/32/66/68/801326668.db2.gz XJOARDGZVOZQOV-VXGBXAGGSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NCCF)CCOCC1 ZINC001229978505 801344876 /nfs/dbraw/zinc/34/48/76/801344876.db2.gz XDZOHPDSUWUFEW-HUUCEWRRSA-N 0 3 312.429 2.346 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2cccc(F)c2)CC1 ZINC001230184637 801368367 /nfs/dbraw/zinc/36/83/67/801368367.db2.gz RSUVZFRXVKHMCN-UHFFFAOYSA-N 0 3 320.408 2.151 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC001210730522 801455214 /nfs/dbraw/zinc/45/52/14/801455214.db2.gz XFNIUVYMQZDRLN-CZUORRHYSA-N 0 3 320.820 2.179 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)cc3C)C[C@H]1N2C ZINC001230682747 801461267 /nfs/dbraw/zinc/46/12/67/801461267.db2.gz QSNSZKQBPKVJCO-CUSZFKRNSA-N 0 3 314.385 2.412 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@H]1CCOC1)Cc1cccnc1 ZINC001230704452 801468592 /nfs/dbraw/zinc/46/85/92/801468592.db2.gz VYSYSKNEDYJLJR-KRWDZBQOSA-N 0 3 317.433 2.003 20 30 DEEDHN CC(C)C#CC(=O)NCCCN(CCCF)Cc1cccnc1 ZINC001230757036 801483600 /nfs/dbraw/zinc/48/36/00/801483600.db2.gz YZEHMYASCRAXNO-UHFFFAOYSA-N 0 3 319.424 2.409 20 30 DEEDHN C=C(C)CCC(=O)NCCCN(Cc1cccnc1)C[C@@H](C)O ZINC001230771673 801486793 /nfs/dbraw/zinc/48/67/93/801486793.db2.gz OXEXOOHCRZXLDI-MRXNPFEDSA-N 0 3 319.449 2.127 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001210980536 801495863 /nfs/dbraw/zinc/49/58/63/801495863.db2.gz XXPQMRWJZJGFEC-NVXWUHKLSA-N 0 3 302.418 2.305 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001210998214 801496646 /nfs/dbraw/zinc/49/66/46/801496646.db2.gz LBOFLNIDAFRHQY-NVXWUHKLSA-N 0 3 302.418 2.305 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@H]1CN(CCOC)C[C@H]1C)c1ccccc1 ZINC001211228369 801533849 /nfs/dbraw/zinc/53/38/49/801533849.db2.gz WHINGMTVTHYOIL-SOLBZPMBSA-N 0 3 316.445 2.429 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CCOC)C[C@H]1C)c1ccccc1 ZINC001211235648 801534696 /nfs/dbraw/zinc/53/46/96/801534696.db2.gz UIUZXAROECHPHJ-HYVNUMGLSA-N 0 3 302.418 2.039 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2C)CCCCC1 ZINC001211405569 801560864 /nfs/dbraw/zinc/56/08/64/801560864.db2.gz AQTNSMSHJXERJS-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccc(F)cc2)[C@H](OC)C1 ZINC001213133144 801577358 /nfs/dbraw/zinc/57/73/58/801577358.db2.gz HDARXTFSOQBVAQ-IAGOWNOFSA-N 0 3 320.408 2.150 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001231168990 801597287 /nfs/dbraw/zinc/59/72/87/801597287.db2.gz CMCZXBWYYBLZCS-IRXDYDNUSA-N 0 3 308.466 2.427 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC[C@@H](C)F)C[C@H]2OC)CCC1 ZINC001213397276 801604689 /nfs/dbraw/zinc/60/46/89/801604689.db2.gz FQIYRYRFRMTWNH-RBSFLKMASA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)[C@H](OC)C1 ZINC001213733944 801637774 /nfs/dbraw/zinc/63/77/74/801637774.db2.gz MISORYJZDAYPNK-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214307969 801702581 /nfs/dbraw/zinc/70/25/81/801702581.db2.gz QDWGTTMEUKIRAK-VQIMIIECSA-N 0 3 324.424 2.169 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2scnc2C)C1 ZINC001214529125 801726029 /nfs/dbraw/zinc/72/60/29/801726029.db2.gz NCIGXBAISXTHLU-TZMCWYRMSA-N 0 3 305.447 2.192 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001214582375 801735536 /nfs/dbraw/zinc/73/55/36/801735536.db2.gz QSWSYJXIKRRYJJ-UKRRQHHQSA-N 0 3 319.836 2.331 20 30 DEEDHN Cc1ncsc1CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C ZINC001214589980 801736529 /nfs/dbraw/zinc/73/65/29/801736529.db2.gz WQYCLEXKZMOWEH-TZMCWYRMSA-N 0 3 319.474 2.438 20 30 DEEDHN N#Cc1ccccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001215256741 801825698 /nfs/dbraw/zinc/82/56/98/801825698.db2.gz SOLPUYHLVXTNGJ-UHFFFAOYSA-N 0 3 303.325 2.316 20 30 DEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(N)nc1C)C2 ZINC001232345152 801854324 /nfs/dbraw/zinc/85/43/24/801854324.db2.gz ZXMMYUMBBCEQJQ-FUHWJXTLSA-N 0 3 317.433 2.298 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(OC)ns2)C1 ZINC001215429981 801860995 /nfs/dbraw/zinc/86/09/95/801860995.db2.gz UIZMPEIAAYZNAR-TZMCWYRMSA-N 0 3 323.462 2.445 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1n[nH]c3c1CCC3)CC2 ZINC001232425705 801875628 /nfs/dbraw/zinc/87/56/28/801875628.db2.gz CSHHDOJOQPVZQX-UHFFFAOYSA-N 0 3 314.433 2.041 20 30 DEEDHN N#Cc1ccnc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1 ZINC001232476871 801895897 /nfs/dbraw/zinc/89/58/97/801895897.db2.gz DYKWTAZFPIDWGO-CVEARBPZSA-N 0 3 304.353 2.121 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001216913650 802037397 /nfs/dbraw/zinc/03/73/97/802037397.db2.gz YIJQKGIMWMVYNL-RHSMWYFYSA-N 0 3 320.408 2.355 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCc3ccco3)[C@H]2C1 ZINC001217264709 802062336 /nfs/dbraw/zinc/06/23/36/802062336.db2.gz BCCGPSMRDKQRQC-DLBZAZTESA-N 0 3 318.417 2.090 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3ccoc3)[C@H]2C1 ZINC001217275222 802063516 /nfs/dbraw/zinc/06/35/16/802063516.db2.gz FAAPLERNOLFYHJ-CWRNSKLLSA-N 0 3 304.390 2.160 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3cscn3)[C@H]2C1 ZINC001217497527 802081654 /nfs/dbraw/zinc/08/16/54/802081654.db2.gz ALLNEZHBSVGSDM-VHDGCEQUSA-N 0 3 321.446 2.023 20 30 DEEDHN C#CCCCCC(=O)N1CCO[C@@H]2CN(CCCCCF)C[C@@H]21 ZINC001217669910 802096279 /nfs/dbraw/zinc/09/62/79/802096279.db2.gz PCBVYHKRMRLUFP-DLBZAZTESA-N 0 3 324.440 2.231 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3cc(C)[nH]c3C)[C@H]2C1 ZINC001218696968 802228773 /nfs/dbraw/zinc/22/87/73/802228773.db2.gz LCBUACKIVRKYLR-DLBZAZTESA-N 0 3 317.433 2.123 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)C1 ZINC001219098797 802280018 /nfs/dbraw/zinc/28/00/18/802280018.db2.gz SHFFGUZJABRWAT-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 ZINC001234057907 802282439 /nfs/dbraw/zinc/28/24/39/802282439.db2.gz FQYDWQRJLZOOPN-HNNXBMFYSA-N 0 3 321.469 2.415 20 30 DEEDHN CCc1cc(NC(=O)c2n[nH]c3c2CNCC3)cc(CC)c1C#N ZINC001219114081 802283648 /nfs/dbraw/zinc/28/36/48/802283648.db2.gz BXZLYEJBGXQNAN-UHFFFAOYSA-N 0 3 323.400 2.304 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CSC(C)C)[C@@H](O)C1 ZINC001219218625 802299622 /nfs/dbraw/zinc/29/96/22/802299622.db2.gz UQSHIDCPIHKKCJ-CABCVRRESA-N 0 3 316.511 2.260 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CSCCC)[C@@H](O)C1 ZINC001219277049 802304336 /nfs/dbraw/zinc/30/43/36/802304336.db2.gz ISQSOIPLSUUPDI-CABCVRRESA-N 0 3 314.495 2.037 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cncc(C)c2)[C@@H](O)C1 ZINC001219413901 802324589 /nfs/dbraw/zinc/32/45/89/802324589.db2.gz JZKBJXASPXIESA-SJORKVTESA-N 0 3 319.449 2.135 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@@H](O)C1 ZINC001219521827 802339590 /nfs/dbraw/zinc/33/95/90/802339590.db2.gz YJLPOHMJFYHPKP-WMXNSBIJSA-N 0 3 319.449 2.160 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001219598122 802353339 /nfs/dbraw/zinc/35/33/39/802353339.db2.gz JICOUBBJBUTFIR-CABCVRRESA-N 0 3 308.466 2.024 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001219596412 802353457 /nfs/dbraw/zinc/35/34/57/802353457.db2.gz ULSJONGUMIGDQS-SJORKVTESA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCN1CC[C@H]1CN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC001234403671 802370838 /nfs/dbraw/zinc/37/08/38/802370838.db2.gz XCDZYDWPTDBKIO-GJZGRUSLSA-N 0 3 304.438 2.115 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001219860438 802382532 /nfs/dbraw/zinc/38/25/32/802382532.db2.gz HQLNFXYXSIKYPO-CVEARBPZSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001219956826 802394140 /nfs/dbraw/zinc/39/41/40/802394140.db2.gz PMBOBYCZRFCGBS-CABCVRRESA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001219978863 802396941 /nfs/dbraw/zinc/39/69/41/802396941.db2.gz MQZMQNODZFNPLG-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)[C@@H](O)C1 ZINC001220156528 802417150 /nfs/dbraw/zinc/41/71/50/802417150.db2.gz YNTUUZNXNOVKIK-UPJWGTAASA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001234574563 802418170 /nfs/dbraw/zinc/41/81/70/802418170.db2.gz UWKZUPZVXJYSHT-LBPRGKRZSA-N 0 3 309.360 2.472 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220201744 802424577 /nfs/dbraw/zinc/42/45/77/802424577.db2.gz YJQLBVGFAPMHSC-UAGQMJEPSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCc2ccc(C)cc2)[C@@H](O)C1 ZINC001220270227 802436356 /nfs/dbraw/zinc/43/63/56/802436356.db2.gz HHCOBCVTMYBEEM-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 ZINC001220307718 802442132 /nfs/dbraw/zinc/44/21/32/802442132.db2.gz YGFIFHHYQMLUCG-OLZOCXBDSA-N 0 3 306.397 2.163 20 30 DEEDHN C#Cc1ccc(CNC(=O)[C@@H](NC)[C@@H](C)OC(C)(C)C)cc1 ZINC001220382318 802451411 /nfs/dbraw/zinc/45/14/11/802451411.db2.gz VAKHLVKCQCLDAV-CJNGLKHVSA-N 0 3 302.418 2.076 20 30 DEEDHN C#Cc1ccc(CNC(=O)[C@@H](N)C2Cc3ccccc3C2)cc1 ZINC001220381365 802451756 /nfs/dbraw/zinc/45/17/56/802451756.db2.gz HZAFPDLMFGWXCM-IBGZPJMESA-N 0 3 304.393 2.026 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC001220547845 802471919 /nfs/dbraw/zinc/47/19/19/802471919.db2.gz JXUHCSVVJSBOTJ-GLQYFDAESA-N 0 3 308.447 2.186 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2CCC(C3CC3)CC2)[C@@H](O)C1 ZINC001220875383 802507009 /nfs/dbraw/zinc/50/70/09/802507009.db2.gz HDHQVRHSDPBIFP-HIEASXQVSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CCC)c2ccccc2)[C@@H](O)C1 ZINC001220915876 802512745 /nfs/dbraw/zinc/51/27/45/802512745.db2.gz RYKYFFGYKQKVAH-KURKYZTESA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001220932250 802514505 /nfs/dbraw/zinc/51/45/05/802514505.db2.gz QACMHMUIAROVTC-SJORKVTESA-N 0 3 316.445 2.092 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](O)C1 ZINC001221058679 802525275 /nfs/dbraw/zinc/52/52/75/802525275.db2.gz WQXRNAVLODCORE-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3cnsn3)[C@@H]2C1 ZINC001221307503 802553645 /nfs/dbraw/zinc/55/36/45/802553645.db2.gz VWJFOAJGBVZZAY-UKRRQHHQSA-N 0 3 320.462 2.431 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3ncoc3CC)[C@@H]2C1 ZINC001221458521 802577085 /nfs/dbraw/zinc/57/70/85/802577085.db2.gz JYTNRRLDXSODLN-ZIAGYGMSSA-N 0 3 303.406 2.350 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCO[C@H](C)CC(C)C)[C@@H]2C1 ZINC001221540808 802591275 /nfs/dbraw/zinc/59/12/75/802591275.db2.gz BJGXNDFQGJPCKA-KZNAEPCWSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221646604 802599979 /nfs/dbraw/zinc/59/99/79/802599979.db2.gz HUTCQAJOGDOOIT-ARFHVFGLSA-N 0 3 308.466 2.404 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(COC)CCCC3)C[C@@H]21 ZINC001222855313 802744607 /nfs/dbraw/zinc/74/46/07/802744607.db2.gz OGJOVKNRJKWGOK-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN Cc1ccncc1CN1CCC(CNC(=O)C#CC(C)C)CC1 ZINC001223097034 802765175 /nfs/dbraw/zinc/76/51/75/802765175.db2.gz SGUXQMVQSRVWKY-UHFFFAOYSA-N 0 3 313.445 2.378 20 30 DEEDHN Cc1ncccc1CN1CCC(CNC(=O)C#CC(C)C)CC1 ZINC001223096680 802765472 /nfs/dbraw/zinc/76/54/72/802765472.db2.gz LMHZCJDTLFEJSJ-UHFFFAOYSA-N 0 3 313.445 2.378 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001223164156 802770514 /nfs/dbraw/zinc/77/05/14/802770514.db2.gz HKXGMJBVIINRNC-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223525095 802798647 /nfs/dbraw/zinc/79/86/47/802798647.db2.gz QPCKFIGKFPGSKD-HNNXBMFYSA-N 0 3 315.889 2.153 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2ccccc2F)CC1 ZINC001225401618 802961766 /nfs/dbraw/zinc/96/17/66/802961766.db2.gz UDIFHWZRLZEBMR-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC001225625927 802992554 /nfs/dbraw/zinc/99/25/54/802992554.db2.gz QQKMLMWFTULHRH-FQEVSTJZSA-N 0 3 310.441 2.352 20 30 DEEDHN Cc1ncsc1CCN1CCC(NC(=O)C#CC(C)C)CC1 ZINC001227265722 803223893 /nfs/dbraw/zinc/22/38/93/803223893.db2.gz NGJJPICYLOZGSA-UHFFFAOYSA-N 0 3 319.474 2.234 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2c(C)cncc2C)CC1 ZINC001228256928 803335736 /nfs/dbraw/zinc/33/57/36/803335736.db2.gz ULGUOAHLGQLYOI-UHFFFAOYSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ncc(C)cc2C)CC1 ZINC001228387745 803353857 /nfs/dbraw/zinc/35/38/57/803353857.db2.gz XDIRZUOJNLZZCD-UHFFFAOYSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCN(CCc2cnn(CC)c2)CC1 ZINC001228631415 803383043 /nfs/dbraw/zinc/38/30/43/803383043.db2.gz LFOXWJGMYZLRIH-UHFFFAOYSA-N 0 3 318.465 2.238 20 30 DEEDHN COCCN(Cc1ccc(C)cc1C)C(=O)[C@H](N)CCCC#N ZINC001331021087 1149362039 /nfs/dbraw/zinc/36/20/39/1149362039.db2.gz IJSIWTIMNSNFQL-QGZVFWFLSA-N 0 3 317.433 2.300 20 30 DEEDHN C/C=C(\C)C(=O)NCCOCCN(C)Cc1cccc(C#N)c1 ZINC001331110124 1149382173 /nfs/dbraw/zinc/38/21/73/1149382173.db2.gz MEGVXVIJUUFAKZ-SYZQJQIISA-N 0 3 315.417 2.089 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001335280106 1150392407 /nfs/dbraw/zinc/39/24/07/1150392407.db2.gz FFVPVJSFWIGRBP-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCc1cnc(OC)nc1C ZINC001331458244 1149467697 /nfs/dbraw/zinc/46/76/97/1149467697.db2.gz JMPFHFVUMXRUFD-CYBMUJFWSA-N 0 3 320.437 2.086 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001328115199 1148724206 /nfs/dbraw/zinc/72/42/06/1148724206.db2.gz AAADKBITCICSSV-NVXWUHKLSA-N 0 3 319.493 2.216 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)C(C)(C)C(=C)C)CC2)C1 ZINC001328129930 1148728351 /nfs/dbraw/zinc/72/83/51/1148728351.db2.gz PPRGEZSSGZZWBH-UHFFFAOYSA-N 0 3 319.493 2.383 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)OCc1ccccc1C ZINC001327237474 1148402627 /nfs/dbraw/zinc/40/26/27/1148402627.db2.gz ADPCLNKAAKCAAN-QGZVFWFLSA-N 0 3 316.445 2.314 20 30 DEEDHN C=C(C)Cn1c(N2CCN([C@H](C)CC)CC2)nnc1C(C)(C)O ZINC001346270121 1150962875 /nfs/dbraw/zinc/96/28/75/1150962875.db2.gz QDXAFRKPRGMTEJ-CQSZACIVSA-N 0 3 321.469 2.002 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)OCCCC)CCO2 ZINC001328480933 1148801792 /nfs/dbraw/zinc/80/17/92/1148801792.db2.gz VPECDZBKNBNMBB-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccc(C(=O)OC)cc21 ZINC001523487644 1069674753 /nfs/dbraw/zinc/67/47/53/1069674753.db2.gz MSEBYQYTYLDMAK-CQSZACIVSA-N 0 3 302.374 2.046 20 30 DEEDHN C#CCN1CCN(CCCCCNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001328502019 1148803472 /nfs/dbraw/zinc/80/34/72/1148803472.db2.gz VRWWGSCUGJPUBW-QGZVFWFLSA-N 0 3 321.509 2.206 20 30 DEEDHN C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001602699483 1069729738 /nfs/dbraw/zinc/72/97/38/1069729738.db2.gz HGFINKPHJOVGMX-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001602699483 1069729748 /nfs/dbraw/zinc/72/97/48/1069729748.db2.gz HGFINKPHJOVGMX-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001602699483 1069729760 /nfs/dbraw/zinc/72/97/60/1069729760.db2.gz HGFINKPHJOVGMX-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001602699483 1069729781 /nfs/dbraw/zinc/72/97/81/1069729781.db2.gz HGFINKPHJOVGMX-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC001524044884 1069799962 /nfs/dbraw/zinc/79/99/62/1069799962.db2.gz FUVGLSCMBKSPMU-DSPGLSBSSA-N 0 3 316.357 2.014 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NC(=O)CN1CCC[C@H]1C ZINC001531218829 1071461134 /nfs/dbraw/zinc/46/11/34/1071461134.db2.gz HCTMAXACAKTKEK-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nnc(-c2cccc(O)c2)o1 ZINC001460032161 1058251865 /nfs/dbraw/zinc/25/18/65/1058251865.db2.gz LBWBQHGNYVPKJD-UHFFFAOYSA-N 0 3 316.405 2.382 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)C(C)C)C1CCN(CCOCC=C)CC1 ZINC001500051734 1058455195 /nfs/dbraw/zinc/45/51/95/1058455195.db2.gz KYLNWRFKJPAMOU-KRWDZBQOSA-N 0 3 320.477 2.407 20 30 DEEDHN CCCC(=O)N[C@@]1(C)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001500167280 1058544293 /nfs/dbraw/zinc/54/42/93/1058544293.db2.gz DNTODROXTJFPFQ-SFHVURJKSA-N 0 3 315.417 2.470 20 30 DEEDHN C=CCCC(=O)N1CC[C@](C)(CNCc2nccnc2C)C1 ZINC001500323979 1058694152 /nfs/dbraw/zinc/69/41/52/1058694152.db2.gz CODUPIONJDIEHR-QGZVFWFLSA-N 0 3 302.422 2.079 20 30 DEEDHN C=C(C)CCC(=O)NCC1(C)CCN(Cc2cnn(C)c2)CC1 ZINC001500428406 1058776641 /nfs/dbraw/zinc/77/66/41/1058776641.db2.gz CUVZUDQYXMPXCD-UHFFFAOYSA-N 0 3 318.465 2.495 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CCCc2cccnc2)CC1 ZINC001500454397 1058799963 /nfs/dbraw/zinc/79/99/63/1058799963.db2.gz MGEANVCDPKSSKP-UHFFFAOYSA-N 0 3 313.445 2.256 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CN(CCCCCF)CCC1(F)F ZINC001500608199 1058952834 /nfs/dbraw/zinc/95/28/34/1058952834.db2.gz WGKWURXLNSNCGS-OLZOCXBDSA-N 0 3 319.371 2.359 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C/CNC(=O)[C@H]1CCCCN1CC ZINC001533519655 1071865941 /nfs/dbraw/zinc/86/59/41/1071865941.db2.gz MGIYLOLNXKYKFT-FYCOFBDGSA-N 0 3 321.465 2.006 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@H](CNCc2nnc(C)[nH]2)CC1 ZINC001501177356 1059353180 /nfs/dbraw/zinc/35/31/80/1059353180.db2.gz JTFHVPURRLLKOM-SHTZXODSSA-N 0 3 319.453 2.092 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2cnc(C)o2)cc1 ZINC001501676030 1059626893 /nfs/dbraw/zinc/62/68/93/1059626893.db2.gz GOPRRSHTNSJPCM-ZDUSSCGKSA-N 0 3 311.385 2.126 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cnn(C(C)(C)C)c2C)CCC1 ZINC001501960273 1059806672 /nfs/dbraw/zinc/80/66/72/1059806672.db2.gz KJMPIEARGBETIS-UHFFFAOYSA-N 0 3 316.449 2.212 20 30 DEEDHN CC#CCNC1(CNC(=O)CC2(C(F)(F)F)CC2)CCC1 ZINC001501962002 1059811754 /nfs/dbraw/zinc/81/17/54/1059811754.db2.gz OUZDCFOIBGWHKG-UHFFFAOYSA-N 0 3 302.340 2.371 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H](CNCc2ccsc2)C1 ZINC001502056091 1059902419 /nfs/dbraw/zinc/90/24/19/1059902419.db2.gz PXVQFPBOCJFFBB-HNNXBMFYSA-N 0 3 308.447 2.421 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(CC)CCCCC2)CCO1 ZINC001502094860 1059924008 /nfs/dbraw/zinc/92/40/08/1059924008.db2.gz PBOATTMSIWYWGS-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)C3CC=CC3)C2)CC1 ZINC001502099564 1059928602 /nfs/dbraw/zinc/92/86/02/1059928602.db2.gz OBJIJRHDUUHBNR-GOSISDBHSA-N 0 3 317.477 2.137 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502113880 1059947031 /nfs/dbraw/zinc/94/70/31/1059947031.db2.gz UEQHVNDUCXWAKK-YOEHRIQHSA-N 0 3 310.401 2.189 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001502113879 1059948073 /nfs/dbraw/zinc/94/80/73/1059948073.db2.gz UEQHVNDUCXWAKK-WMLDXEAASA-N 0 3 310.401 2.189 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001502145037 1059990619 /nfs/dbraw/zinc/99/06/19/1059990619.db2.gz JHORARNMQVRRQD-GDBMZVCRSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC001470350024 1060086378 /nfs/dbraw/zinc/08/63/78/1060086378.db2.gz AHTDFCUFNQHGSG-CQSZACIVSA-N 0 3 307.463 2.276 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC1CCCCC1 ZINC001329043403 1148860322 /nfs/dbraw/zinc/86/03/22/1148860322.db2.gz BNLSURCUKLZAEZ-GJZGRUSLSA-N 0 3 323.481 2.274 20 30 DEEDHN CC[C@@H](C)CC(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001502541631 1060171320 /nfs/dbraw/zinc/17/13/20/1060171320.db2.gz QOQMZEJKVZDAQY-IEBWSBKVSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H]2C=CCC2)CCOCC1 ZINC001502612594 1060196560 /nfs/dbraw/zinc/19/65/60/1060196560.db2.gz YLKRRFUUANXYJY-CQSZACIVSA-N 0 3 312.841 2.350 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCn2cnc3ccccc32)C[C@@H]1C ZINC001502954545 1060409063 /nfs/dbraw/zinc/40/90/63/1060409063.db2.gz YQEKAHRTWMFXHF-HOTGVXAUSA-N 0 3 324.428 2.029 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3conc3C(F)(F)F)C2)C1 ZINC001472127917 1060423345 /nfs/dbraw/zinc/42/33/45/1060423345.db2.gz CSDCGCNRWMZGRD-UHFFFAOYSA-N 0 3 315.295 2.027 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2cccc(C)c2)C[C@@H]1C ZINC001503014666 1060423568 /nfs/dbraw/zinc/42/35/68/1060423568.db2.gz OZLKUEKZCTVPEV-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)c2c[nH]cc2C)CC1 ZINC001503743533 1060466122 /nfs/dbraw/zinc/46/61/22/1060466122.db2.gz GPNXCEBDANDUHY-UHFFFAOYSA-N 0 3 318.465 2.027 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001505386307 1060517925 /nfs/dbraw/zinc/51/79/25/1060517925.db2.gz KKDMDEIEPGCMAP-HOTGVXAUSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)nc1 ZINC001505421211 1060563053 /nfs/dbraw/zinc/56/30/53/1060563053.db2.gz RPUVSMGFMAEOTF-KRWDZBQOSA-N 0 3 317.433 2.129 20 30 DEEDHN Cc1nc(CCN(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)cs1 ZINC001505423986 1060569897 /nfs/dbraw/zinc/56/98/97/1060569897.db2.gz GNVYPXKVZPJPFF-DOMZBBRYSA-N 0 3 320.462 2.077 20 30 DEEDHN C[C@@H](NCC1CC(NC(=O)C#CC(C)(C)C)C1)c1cnccn1 ZINC001505495912 1060657069 /nfs/dbraw/zinc/65/70/69/1060657069.db2.gz PTUKEYZJFPBYAD-WLYUNCDWSA-N 0 3 314.433 2.072 20 30 DEEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H](C)NC(=O)C1CCC1 ZINC001505543755 1060691188 /nfs/dbraw/zinc/69/11/88/1060691188.db2.gz CJNZXLUYSYYLGC-ZIAGYGMSSA-N 0 3 302.393 2.460 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](C)NC(=O)C(C)(F)F ZINC001505544951 1060693151 /nfs/dbraw/zinc/69/31/51/1060693151.db2.gz RVWHSIZAQLRLLM-ZJUUUORDSA-N 0 3 313.323 2.335 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001505594251 1060754856 /nfs/dbraw/zinc/75/48/56/1060754856.db2.gz FIWKHVHESTXPFG-HOTGVXAUSA-N 0 3 314.404 2.464 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)Cc1ccc[nH]1 ZINC001505761384 1060938766 /nfs/dbraw/zinc/93/87/66/1060938766.db2.gz SHNPPOLUWNRHET-RYUDHWBXSA-N 0 3 316.430 2.173 20 30 DEEDHN C[C@@H](CNC(=O)c1ccsn1)N(C)Cc1ccc(C#N)cc1 ZINC001505944474 1061161276 /nfs/dbraw/zinc/16/12/76/1061161276.db2.gz VDQVHRVMZKWFDY-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN CCCCCCCC[C@H](CO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC001477560210 1061179063 /nfs/dbraw/zinc/17/90/63/1061179063.db2.gz DBIDCFNLQHKIAJ-HZPDHXFCSA-N 0 3 313.486 2.491 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1nc(Cl)cs1 ZINC001505988987 1061219924 /nfs/dbraw/zinc/21/99/24/1061219924.db2.gz PCRINRZJIQXMMI-SNVBAGLBSA-N 0 3 317.842 2.049 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1cccnc1 ZINC001479224800 1061299266 /nfs/dbraw/zinc/29/92/66/1061299266.db2.gz KJTVVEMXDVMFOV-MRXNPFEDSA-N 0 3 301.434 2.468 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001479236524 1061312547 /nfs/dbraw/zinc/31/25/47/1061312547.db2.gz XSVGYCFIJDPCNA-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@H](C)c2ccccc2)C1 ZINC001479662266 1061577836 /nfs/dbraw/zinc/57/78/36/1061577836.db2.gz YYVSEOPODSGSPF-SJLPKXTDSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccncc1C(F)(F)F ZINC001506031826 1061584439 /nfs/dbraw/zinc/58/44/39/1061584439.db2.gz GSBQHDCKVICZJG-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN Cc1nc(C)c(CN(C)CCCNC(=O)C#CC(C)C)s1 ZINC001479769334 1061720171 /nfs/dbraw/zinc/72/01/71/1061720171.db2.gz BNPOUWPHKSHMAC-UHFFFAOYSA-N 0 3 307.463 2.357 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001479773559 1061732498 /nfs/dbraw/zinc/73/24/98/1061732498.db2.gz ZLLQIQBAQVXIOT-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001479773559 1061732512 /nfs/dbraw/zinc/73/25/12/1061732512.db2.gz ZLLQIQBAQVXIOT-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](CC)c1c(C)noc1C ZINC001479802205 1061799040 /nfs/dbraw/zinc/79/90/40/1061799040.db2.gz MLPYHCLMSQELCK-OAHLLOKOSA-N 0 3 305.422 2.246 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc[n+]([O-])cc1 ZINC001479818737 1061834830 /nfs/dbraw/zinc/83/48/30/1061834830.db2.gz AQAXZSIJNPBZJY-HIFRSBDPSA-N 0 3 323.824 2.045 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnc(C)n1C ZINC001479831704 1061859542 /nfs/dbraw/zinc/85/95/42/1061859542.db2.gz UFZCTDIICAEOTO-JSGCOSHPSA-N 0 3 324.856 2.454 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001479882279 1061982377 /nfs/dbraw/zinc/98/23/77/1061982377.db2.gz NCTOHRDGAGTQBH-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCCN1CCC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001479913548 1062043964 /nfs/dbraw/zinc/04/39/64/1062043964.db2.gz HTXHKRIEDDCTAB-ZDUSSCGKSA-N 0 3 308.401 2.028 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001479942398 1062071083 /nfs/dbraw/zinc/07/10/83/1062071083.db2.gz SBYUUQUNAYQMQH-IBGZPJMESA-N 0 3 319.493 2.433 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1ccccc1C#C ZINC001506580686 1062155859 /nfs/dbraw/zinc/15/58/59/1062155859.db2.gz UPACZMDYZSCFCM-LJQANCHMSA-N 0 3 308.425 2.204 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001506643410 1062227244 /nfs/dbraw/zinc/22/72/44/1062227244.db2.gz YEUVWZUYWDGROY-NXOAAHMSSA-N 0 3 320.477 2.452 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001506662123 1062254419 /nfs/dbraw/zinc/25/44/19/1062254419.db2.gz RZBKLUSTMNBPBP-MRXNPFEDSA-N 0 3 323.440 2.410 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@](C)(OC)c2ccccc2)C1 ZINC001506666962 1062259050 /nfs/dbraw/zinc/25/90/50/1062259050.db2.gz TZWOYFKXGCGUFB-DNVCBOLYSA-N 0 3 314.429 2.008 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCc2ccccn2)C(C)(C)C1 ZINC001506749358 1062359410 /nfs/dbraw/zinc/35/94/10/1062359410.db2.gz FGALNAXHTKZPLQ-INIZCTEOSA-N 0 3 301.434 2.417 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CCOC)CC1(C)C)c1ccccc1 ZINC001506752728 1062366525 /nfs/dbraw/zinc/36/65/25/1062366525.db2.gz KDDBLHRWVUKKCJ-DLBZAZTESA-N 0 3 316.445 2.429 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001480132745 1062367592 /nfs/dbraw/zinc/36/75/92/1062367592.db2.gz FEIKDHBAXVSYCB-HWHMVJPJSA-N 0 3 308.425 2.321 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCOCC)C1 ZINC001480183881 1062435910 /nfs/dbraw/zinc/43/59/10/1062435910.db2.gz GLBUMPDHCUMFPF-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCNCc1cc(C#N)ccc1F ZINC001506913447 1062512361 /nfs/dbraw/zinc/51/23/61/1062512361.db2.gz DRZMYVXXGHWJJC-OLZOCXBDSA-N 0 3 316.380 2.232 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](CNC(=O)C#CC3CC3)C2)c1 ZINC001480252568 1062532273 /nfs/dbraw/zinc/53/22/73/1062532273.db2.gz NPZPDGCRMPHTFX-IBGZPJMESA-N 0 3 321.424 2.300 20 30 DEEDHN C#CCCCC(=O)N(C)[C@H](CNCc1cncc(F)c1)C1CC1 ZINC001507006194 1062665421 /nfs/dbraw/zinc/66/54/21/1062665421.db2.gz DXIGKSWJPFOSPZ-QGZVFWFLSA-N 0 3 317.408 2.351 20 30 DEEDHN C[C@H](CN(C)C(=O)C[C@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001507053858 1062744697 /nfs/dbraw/zinc/74/46/97/1062744697.db2.gz ZOLIHGAAQHXNJS-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN CCOCCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001507057727 1062752172 /nfs/dbraw/zinc/75/21/72/1062752172.db2.gz XDRCLFHRYSBZFI-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001480384712 1062767228 /nfs/dbraw/zinc/76/72/28/1062767228.db2.gz CJRHWOKRUJCBQD-CABCVRRESA-N 0 3 315.889 2.297 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2csc(CC)n2)C1 ZINC001480385326 1062770734 /nfs/dbraw/zinc/77/07/34/1062770734.db2.gz CGIFHPAZIYSNPI-UONOGXRCSA-N 0 3 319.474 2.098 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001368585619 1148508523 /nfs/dbraw/zinc/50/85/23/1148508523.db2.gz AQVBGBUMRMUWDX-IHRRRGAJSA-N 0 3 323.824 2.086 20 30 DEEDHN C=CCN1CC[C@H](N[C@H](C)CN(C)C(=O)C(C)(C)CCC)C1=O ZINC001507115787 1062864165 /nfs/dbraw/zinc/86/41/65/1062864165.db2.gz DMXWXGCDRHZJHA-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)CCc1ccccc1C ZINC001507124327 1062877013 /nfs/dbraw/zinc/87/70/13/1062877013.db2.gz HTXPMZPRFBRDCC-KRWDZBQOSA-N 0 3 316.445 2.014 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C)nc1OCCC ZINC001507138623 1062902085 /nfs/dbraw/zinc/90/20/85/1062902085.db2.gz ORQXXAPJSQMVHX-HNNXBMFYSA-N 0 3 317.433 2.252 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001507162105 1062937742 /nfs/dbraw/zinc/93/77/42/1062937742.db2.gz ONDQVLRSLGIAFJ-HOCLYGCPSA-N 0 3 323.868 2.478 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cccc2ccccc21 ZINC001480582285 1063072231 /nfs/dbraw/zinc/07/22/31/1063072231.db2.gz KUQOGMLMVOWDBC-OAHLLOKOSA-N 0 3 310.397 2.198 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3c2ccn3C)C1 ZINC001507324079 1063094713 /nfs/dbraw/zinc/09/47/13/1063094713.db2.gz HGCDBOBPRBJPDI-GJZGRUSLSA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCc3nc(C)cs3)CCC[C@H]12 ZINC001507360631 1063153321 /nfs/dbraw/zinc/15/33/21/1063153321.db2.gz YDVJEQAYTYJMHK-YOEHRIQHSA-N 0 3 317.458 2.131 20 30 DEEDHN Cc1csc(CN[C@@H]2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001480692963 1063199462 /nfs/dbraw/zinc/19/94/62/1063199462.db2.gz KBMONBABHCWKPQ-HUUCEWRRSA-N 0 3 317.458 2.382 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001480707583 1063222010 /nfs/dbraw/zinc/22/20/10/1063222010.db2.gz CFPXGOODRYUVHR-CABCVRRESA-N 0 3 321.421 2.093 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001480724978 1063250052 /nfs/dbraw/zinc/25/00/52/1063250052.db2.gz NNJQLLLACXUOFL-KRWDZBQOSA-N 0 3 324.428 2.202 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)Cc2sc(C)nc2C)C1 ZINC001480728788 1063253259 /nfs/dbraw/zinc/25/32/59/1063253259.db2.gz VIUUEJQQHLFEDK-HNNXBMFYSA-N 0 3 319.474 2.249 20 30 DEEDHN C=CCOCC[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001507420604 1063263398 /nfs/dbraw/zinc/26/33/98/1063263398.db2.gz AXOVMQXXHRVJET-INIZCTEOSA-N 0 3 318.417 2.035 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)cs2)CC1(C)C ZINC001507432502 1063281822 /nfs/dbraw/zinc/28/18/22/1063281822.db2.gz ZUDNNQFDQGYVHC-OAHLLOKOSA-N 0 3 320.458 2.147 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1CCCc1ccsc1 ZINC001493085917 1063549202 /nfs/dbraw/zinc/54/92/02/1063549202.db2.gz JJCFHNGKLBWXHC-DZGCQCFKSA-N 0 3 305.447 2.421 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001493117411 1063580459 /nfs/dbraw/zinc/58/04/59/1063580459.db2.gz NXAVEXVXBNVVKV-INIZCTEOSA-N 0 3 317.433 2.095 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)CCC3CC3)CC2)CC1 ZINC001508163216 1063585601 /nfs/dbraw/zinc/58/56/01/1063585601.db2.gz DWDRBXKKXLTOHG-UHFFFAOYSA-N 0 3 318.461 2.187 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001493208339 1063638474 /nfs/dbraw/zinc/63/84/74/1063638474.db2.gz YPSBTALHHLKLCN-MSOLQXFVSA-N 0 3 318.461 2.211 20 30 DEEDHN CC[C@@H](C)OCC(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001493519602 1063845924 /nfs/dbraw/zinc/84/59/24/1063845924.db2.gz AESPHVKIEDLHKN-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN CN(CCNCc1cccnc1)C(=O)CC#Cc1ccccc1 ZINC001493800447 1063966989 /nfs/dbraw/zinc/96/69/89/1063966989.db2.gz FNKNHARBTYAWPL-UHFFFAOYSA-N 0 3 307.397 2.071 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001493820034 1063976581 /nfs/dbraw/zinc/97/65/81/1063976581.db2.gz RJJOHUIXIYKXCK-STQMWFEESA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)C1CCOCC1)c1ccccc1 ZINC001493879047 1064006952 /nfs/dbraw/zinc/00/69/52/1064006952.db2.gz TUGDHBSQPYGNSR-QGZVFWFLSA-N 0 3 302.418 2.436 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001494018551 1064085967 /nfs/dbraw/zinc/08/59/67/1064085967.db2.gz OBZCBJMISJEXQO-INIZCTEOSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001567380400 1064172796 /nfs/dbraw/zinc/17/27/96/1064172796.db2.gz OVTLUGUDBLXKDW-SJORKVTESA-N 0 3 320.408 2.480 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2OC)C1 ZINC001567415795 1064190447 /nfs/dbraw/zinc/19/04/47/1064190447.db2.gz OCIJJHZXUVHTPV-HZPDHXFCSA-N 0 3 314.429 2.260 20 30 DEEDHN CCCN(CCNC(=O)C#CC1CC1)CCc1csc(C)n1 ZINC001567425359 1064195307 /nfs/dbraw/zinc/19/53/07/1064195307.db2.gz LSDMRZUVQHWFQK-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN C=CCN(CCNC(=O)C[C@@H](C)n1nc(C)cc1C)C1CC1 ZINC001567454383 1064206266 /nfs/dbraw/zinc/20/62/66/1064206266.db2.gz RNWOJDOGFCFTRO-OAHLLOKOSA-N 0 3 304.438 2.218 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)CN(CC)CC ZINC001494337417 1064216836 /nfs/dbraw/zinc/21/68/36/1064216836.db2.gz DDRKBXSKHDTUJA-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCN[C@@H](C)C(=O)N1CCCCC1 ZINC001567566737 1064256054 /nfs/dbraw/zinc/25/60/54/1064256054.db2.gz BVBVUQITPDXWTP-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC001567662821 1064329613 /nfs/dbraw/zinc/32/96/13/1064329613.db2.gz BWVQIDVKDAKVOZ-YJBOKZPZSA-N 0 3 324.428 2.059 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)CCC2CCCC2)C1 ZINC001567691645 1064350194 /nfs/dbraw/zinc/35/01/94/1064350194.db2.gz VFCRDJFNPFQLJB-GOSISDBHSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001567709858 1064367750 /nfs/dbraw/zinc/36/77/50/1064367750.db2.gz XRUAKCJWXKTLAV-XUZWKGRJSA-N 0 3 312.841 2.158 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN1CCN(CC[C@@H](C)F)CC1 ZINC001567717622 1064376109 /nfs/dbraw/zinc/37/61/09/1064376109.db2.gz IZQKPTLUJKNWJL-MRXNPFEDSA-N 0 3 313.461 2.167 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCn2ccnc2C)C1 ZINC001567767409 1064411439 /nfs/dbraw/zinc/41/14/39/1064411439.db2.gz UYAGGFFDVKWICB-MRXNPFEDSA-N 0 3 304.438 2.128 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001494716422 1064431222 /nfs/dbraw/zinc/43/12/22/1064431222.db2.gz KEFUJMOKVBLRAS-ZDUSSCGKSA-N 0 3 321.421 2.153 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001494724215 1064432714 /nfs/dbraw/zinc/43/27/14/1064432714.db2.gz MVAFCCBUONYFII-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001567848189 1064457367 /nfs/dbraw/zinc/45/73/67/1064457367.db2.gz AQGDXKXXXFTXDR-GFCCVEGCSA-N 0 3 306.356 2.140 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)c1 ZINC001567862585 1064468178 /nfs/dbraw/zinc/46/81/78/1064468178.db2.gz LVBKXDUGGAZGDK-ROUUACIJSA-N 0 3 311.429 2.398 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C)c1F ZINC001567863663 1064470653 /nfs/dbraw/zinc/47/06/53/1064470653.db2.gz JSSWZBYQLKYTOZ-XBFCOCLRSA-N 0 3 320.412 2.121 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCn2cc(C)cn2)C1 ZINC001567944748 1064551441 /nfs/dbraw/zinc/55/14/41/1064551441.db2.gz AFPGQIMFCSTGQN-MRXNPFEDSA-N 0 3 304.438 2.081 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CC)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001494991841 1064630353 /nfs/dbraw/zinc/63/03/53/1064630353.db2.gz UGEHFUVRWRJNBT-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CC(C)(C)C(=O)NCCC1CCN(CC#CCOC)CC1 ZINC001568129130 1064660570 /nfs/dbraw/zinc/66/05/70/1064660570.db2.gz VMMUASLKVSLQRB-UHFFFAOYSA-N 0 3 306.450 2.067 20 30 DEEDHN COc1nscc1CNC[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001568171078 1064682005 /nfs/dbraw/zinc/68/20/05/1064682005.db2.gz RUXGGTPQZGYIPL-GFCCVEGCSA-N 0 3 323.462 2.043 20 30 DEEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCC[C@H]1C ZINC001568295578 1064762757 /nfs/dbraw/zinc/76/27/57/1064762757.db2.gz YIGXTXGVOPWCTD-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C[C@@H](C(=O)N(C)[C@@H](C)CNCC#CCOC)c1ccccc1 ZINC001568320870 1064776635 /nfs/dbraw/zinc/77/66/35/1064776635.db2.gz QDIVEQKPIRUGQZ-FUHWJXTLSA-N 0 3 314.429 2.043 20 30 DEEDHN Cc1cnc(CN[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)s1 ZINC001568355547 1064799874 /nfs/dbraw/zinc/79/98/74/1064799874.db2.gz RECISETYHYCEOH-UKRRQHHQSA-N 0 3 319.474 2.438 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](NCc1cnoc1C)C(C)C ZINC001568458909 1064886485 /nfs/dbraw/zinc/88/64/85/1064886485.db2.gz GRNOBQFGKREUIE-MRXNPFEDSA-N 0 3 305.422 2.407 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001568500812 1064915868 /nfs/dbraw/zinc/91/58/68/1064915868.db2.gz ZUQRXFZGXODDEE-CYBMUJFWSA-N 0 3 304.438 2.114 20 30 DEEDHN Cc1ncc(CN2CC[C@@H]3CN(C(=O)C#CC(C)C)CC[C@@H]32)o1 ZINC001568510769 1064924115 /nfs/dbraw/zinc/92/41/15/1064924115.db2.gz MOUIYUDFTZXRPT-WBVHZDCISA-N 0 3 315.417 2.065 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ncc(C)cc2C)cc1 ZINC001495490958 1064941899 /nfs/dbraw/zinc/94/18/99/1064941899.db2.gz YKDLSDCREILPJO-UHFFFAOYSA-N 0 3 307.397 2.351 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](O)CN[C@H](C)c1ccccc1Cl ZINC001568558542 1064964213 /nfs/dbraw/zinc/96/42/13/1064964213.db2.gz SOZZTZKECOCVOT-ZIAGYGMSSA-N 0 3 322.836 2.127 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1sc(CCC)nc1C ZINC001327291196 1148514571 /nfs/dbraw/zinc/51/45/71/1148514571.db2.gz MSWHVBKRYYBAOG-UHFFFAOYSA-N 0 3 307.463 2.431 20 30 DEEDHN Cc1ocnc1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001568612235 1064991234 /nfs/dbraw/zinc/99/12/34/1064991234.db2.gz OCEBTTUYDJODAL-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001618812998 1078159373 /nfs/dbraw/zinc/15/93/73/1078159373.db2.gz AVBHKQKFFJARKK-INIZCTEOSA-N 0 3 306.381 2.096 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCO1 ZINC001568726428 1065078435 /nfs/dbraw/zinc/07/84/35/1065078435.db2.gz GGVRRZQTVRAPCA-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1cccc(C)c1Cl ZINC001568784953 1065115816 /nfs/dbraw/zinc/11/58/16/1065115816.db2.gz JGLTYIUCPPDSPP-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CCCC1 ZINC001495948425 1065189880 /nfs/dbraw/zinc/18/98/80/1065189880.db2.gz QCVKRJQNAVZRJN-LBPRGKRZSA-N 0 3 324.856 2.359 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccn(C(CC)CC)n1 ZINC001568930949 1065197634 /nfs/dbraw/zinc/19/76/34/1065197634.db2.gz RPQKTFAKDTXOAH-HJWRWDBZSA-N 0 3 302.422 2.143 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1ccc(COC(C)C)cc1 ZINC001568963304 1065216888 /nfs/dbraw/zinc/21/68/88/1065216888.db2.gz ZEAZSYXKPQHLHF-AATRIKPKSA-N 0 3 300.402 2.120 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)c1ccns1 ZINC001569060648 1065262944 /nfs/dbraw/zinc/26/29/44/1065262944.db2.gz LIMWVFSFUSRHBR-LBPRGKRZSA-N 0 3 317.389 2.042 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)c1cc(F)c[nH]1 ZINC001496115170 1065284386 /nfs/dbraw/zinc/28/43/86/1065284386.db2.gz DGJXLJXJJCXFCG-CQSZACIVSA-N 0 3 313.376 2.256 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1c(F)cccc1NC(C)=O ZINC001569141110 1065315212 /nfs/dbraw/zinc/31/52/12/1065315212.db2.gz KMYKBSJELXZYII-LLVKDONJSA-N 0 3 307.369 2.020 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001496234079 1065355969 /nfs/dbraw/zinc/35/59/69/1065355969.db2.gz OSVYFHVWKAICOZ-GJZGRUSLSA-N 0 3 320.408 2.016 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001496234078 1065356327 /nfs/dbraw/zinc/35/63/27/1065356327.db2.gz OSVYFHVWKAICOZ-CABCVRRESA-N 0 3 320.408 2.016 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCC[C@@H]2CCOC2)C1 ZINC001569373216 1065467884 /nfs/dbraw/zinc/46/78/84/1065467884.db2.gz LHZCTAFCIRBKHE-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cncnc1CC ZINC001569383741 1065478776 /nfs/dbraw/zinc/47/87/76/1065478776.db2.gz XABUPHHRPGSQAO-ZIAGYGMSSA-N 0 3 302.422 2.198 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2snnc2C)C[C@@H]1C ZINC001569511161 1065556670 /nfs/dbraw/zinc/55/66/70/1065556670.db2.gz CMXPQMQCUUIMCT-AAEUAGOBSA-N 0 3 308.451 2.282 20 30 DEEDHN Cc1nsc(C)c1CN[C@H](CNC(=O)C#CC1CC1)C(C)C ZINC001496558238 1065561217 /nfs/dbraw/zinc/56/12/17/1065561217.db2.gz PFBPGGFYVPEQFV-MRXNPFEDSA-N 0 3 319.474 2.404 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CNCC(=O)NCCC(C)(C)C ZINC001569534186 1065574415 /nfs/dbraw/zinc/57/44/15/1065574415.db2.gz DYIIPHUAGIFLMR-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](CNCc1n[nH]c(C)n1)C1CCCC1 ZINC001569604382 1065617747 /nfs/dbraw/zinc/61/77/47/1065617747.db2.gz RBECITYJLVTLTR-OAHLLOKOSA-N 0 3 319.453 2.234 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCc2cccc(OC)c2)C1 ZINC001569642424 1065641778 /nfs/dbraw/zinc/64/17/78/1065641778.db2.gz DDDLPECTDCNCEP-SFHVURJKSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001496702206 1065658835 /nfs/dbraw/zinc/65/88/35/1065658835.db2.gz NQUQSOSOCUPFHG-HNNXBMFYSA-N 0 3 320.408 2.085 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001569752398 1065706639 /nfs/dbraw/zinc/70/66/39/1065706639.db2.gz LBCBECUZRJHFHW-QGZVFWFLSA-N 0 3 322.836 2.391 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccnc2C)C1 ZINC001496855569 1065757203 /nfs/dbraw/zinc/75/72/03/1065757203.db2.gz RZPREVZSUIETMI-NVXWUHKLSA-N 0 3 314.433 2.174 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CCNCc2ccc(F)cn2)C1 ZINC001569977412 1065856394 /nfs/dbraw/zinc/85/63/94/1065856394.db2.gz ICJYVWUDMKKHCV-HNNXBMFYSA-N 0 3 317.408 2.352 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CC1(O)CCC1 ZINC001570027090 1065891319 /nfs/dbraw/zinc/89/13/19/1065891319.db2.gz VERIIEYYUJJDJK-UHFFFAOYSA-N 0 3 314.429 2.063 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccnc(C)n2)cc1 ZINC001570032743 1065894788 /nfs/dbraw/zinc/89/47/88/1065894788.db2.gz BWPPJUNLXJCLRK-CQSZACIVSA-N 0 3 322.412 2.389 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2cnc(C)s2)CCC1 ZINC001570102916 1065925662 /nfs/dbraw/zinc/92/56/62/1065925662.db2.gz VDLZYPMZTPHTHF-UHFFFAOYSA-N 0 3 305.447 2.384 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2cc(C(C)C)oc2C)CCO1 ZINC001570157464 1065943937 /nfs/dbraw/zinc/94/39/37/1065943937.db2.gz HAOZTGOLHNTBNT-OAHLLOKOSA-N 0 3 318.417 2.165 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2cnns2)CCC1 ZINC001497262713 1065996205 /nfs/dbraw/zinc/99/62/05/1065996205.db2.gz JPTHOZMOROTSAD-LBPRGKRZSA-N 0 3 308.451 2.269 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001570292452 1066006960 /nfs/dbraw/zinc/00/69/60/1066006960.db2.gz GXLVUJBIVLGABS-SJLPKXTDSA-N 0 3 308.466 2.169 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001570493213 1066093577 /nfs/dbraw/zinc/09/35/77/1066093577.db2.gz BGQVKSJDEGUKOX-OAHLLOKOSA-N 0 3 308.466 2.025 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)Cc2ccoc2)c1 ZINC001497565782 1066142045 /nfs/dbraw/zinc/14/20/45/1066142045.db2.gz CIERKWGXZPKVNS-OWOJBTEDSA-N 0 3 309.369 2.156 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001497723148 1066265485 /nfs/dbraw/zinc/26/54/85/1066265485.db2.gz QFWXDQZXZUKCTO-TZNMXKOXSA-N 0 3 306.450 2.113 20 30 DEEDHN C=C(C)CN(C)C(=O)Cc1csc(SCCN(C)C)n1 ZINC001629824139 1078326961 /nfs/dbraw/zinc/32/69/61/1078326961.db2.gz WUXGZMCYMLDFIQ-UHFFFAOYSA-N 0 3 313.492 2.374 20 30 DEEDHN CCCSCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001498016758 1066459643 /nfs/dbraw/zinc/45/96/43/1066459643.db2.gz BNHUZOMYDMZSLV-AWEZNQCLSA-N 0 3 322.449 2.415 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)c1nccs1 ZINC001498139677 1066524224 /nfs/dbraw/zinc/52/42/24/1066524224.db2.gz JXBLYMFFWMXMAY-LBPRGKRZSA-N 0 3 317.389 2.042 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)CC1CC1 ZINC001498218322 1066567213 /nfs/dbraw/zinc/56/72/13/1066567213.db2.gz PTRWOCCUMHBPJE-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN Cc1ccccc1OCCN(C)C[C@H](C)NC(=O)C#CC(C)C ZINC001498277853 1066611377 /nfs/dbraw/zinc/61/13/77/1066611377.db2.gz ZMKMCDYOTQZYDM-KRWDZBQOSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001498323465 1066632456 /nfs/dbraw/zinc/63/24/56/1066632456.db2.gz CKVPRIDUWYWOJN-TZMCWYRMSA-N 0 3 304.438 2.399 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1c[nH]c(Br)c1 ZINC001498339483 1066641179 /nfs/dbraw/zinc/64/11/79/1066641179.db2.gz DIWUGMIAYQZWSD-VIFPVBQESA-N 0 3 300.200 2.013 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cccc2c1CCC2 ZINC001498464842 1066726712 /nfs/dbraw/zinc/72/67/12/1066726712.db2.gz KLCIBLFLEVCFHD-HNNXBMFYSA-N 0 3 316.445 2.428 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCCC[C@@H]2NC(=O)C#CC(C)C)o1 ZINC001498478813 1066734357 /nfs/dbraw/zinc/73/43/57/1066734357.db2.gz BZJDUIZVXAPWSB-WBVHZDCISA-N 0 3 317.433 2.407 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNCc1nccn1C ZINC001498491544 1066742771 /nfs/dbraw/zinc/74/27/71/1066742771.db2.gz PXHSSPSQPCNISJ-LSDHHAIUSA-N 0 3 318.465 2.397 20 30 DEEDHN CC#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CC ZINC001498880106 1066936562 /nfs/dbraw/zinc/93/65/62/1066936562.db2.gz AWJMNOVOJQDUCK-HOCLYGCPSA-N 0 3 300.402 2.246 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1CCC1CCOCC1 ZINC001498977509 1066995647 /nfs/dbraw/zinc/99/56/47/1066995647.db2.gz LWWBVYKMARZQMA-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001498987162 1067002507 /nfs/dbraw/zinc/00/25/07/1067002507.db2.gz UKFFUMRESJWVBW-ZFWWWQNUSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001499011503 1067020977 /nfs/dbraw/zinc/02/09/77/1067020977.db2.gz AIDJEJWUMKMERG-OAHLLOKOSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1 ZINC001635757597 1078457669 /nfs/dbraw/zinc/45/76/69/1078457669.db2.gz DRRUUUQZOCPYIB-FUHWJXTLSA-N 0 3 318.461 2.426 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC001635753347 1078458014 /nfs/dbraw/zinc/45/80/14/1078458014.db2.gz RZQDFQBXELCYPX-MRXNPFEDSA-N 0 3 306.454 2.417 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001499092614 1067088291 /nfs/dbraw/zinc/08/82/91/1067088291.db2.gz HSTJIHKJACWLJG-ZIAGYGMSSA-N 0 3 303.406 2.249 20 30 DEEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001499108184 1067102095 /nfs/dbraw/zinc/10/20/95/1067102095.db2.gz MPMAVZTWBPHJFG-HOTGVXAUSA-N 0 3 323.481 2.158 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CC)CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001499175366 1067131069 /nfs/dbraw/zinc/13/10/69/1067131069.db2.gz WVXBRSUNBNVYQW-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(C#CC1CC1)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001499221674 1067148691 /nfs/dbraw/zinc/14/86/91/1067148691.db2.gz RSNFGRIMSPVKTD-UHFFFAOYSA-N 0 3 302.805 2.492 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2ccc(C)c(Cl)c2)CC1 ZINC001499262248 1067160467 /nfs/dbraw/zinc/16/04/67/1067160467.db2.gz WWLVLOJKMXXHMM-UHFFFAOYSA-N 0 3 304.821 2.453 20 30 DEEDHN Cc1c(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)ccn1C ZINC001499340243 1067189328 /nfs/dbraw/zinc/18/93/28/1067189328.db2.gz SYNYZZHBOYGMGI-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001578928005 1067202336 /nfs/dbraw/zinc/20/23/36/1067202336.db2.gz BYXNYABQQKKCEA-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001578928266 1067203214 /nfs/dbraw/zinc/20/32/14/1067203214.db2.gz JFEQUAMUFFWKST-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C/C(C)=C/CC(=O)N1CC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001499613292 1067278156 /nfs/dbraw/zinc/27/81/56/1067278156.db2.gz CLDHLPFBMQNGAZ-BKMCDNFVSA-N 0 3 316.445 2.083 20 30 DEEDHN C[C@@H]1CNC[C@H](C)N1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001579493992 1067353736 /nfs/dbraw/zinc/35/37/36/1067353736.db2.gz AEBREXMATFYDKM-TXEJJXNPSA-N 0 3 310.319 2.266 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2nccn2C)C[C@H]1C ZINC001499842969 1067358418 /nfs/dbraw/zinc/35/84/18/1067358418.db2.gz DLRGYECWFYAONT-HZPDHXFCSA-N 0 3 316.449 2.083 20 30 DEEDHN Cc1c(CN)c(NC(=O)Nc2cc(C#N)c(F)cc2C)nn1C ZINC001579608621 1067382305 /nfs/dbraw/zinc/38/23/05/1067382305.db2.gz LQGWQRWLFFUUOZ-UHFFFAOYSA-N 0 3 316.340 2.150 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001483424873 1078525254 /nfs/dbraw/zinc/52/52/54/1078525254.db2.gz WJQSZRNGLYLTCH-LLVKDONJSA-N 0 3 307.369 2.020 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001579852313 1067439371 /nfs/dbraw/zinc/43/93/71/1067439371.db2.gz UODONVGOTZNLKI-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001580050430 1067482270 /nfs/dbraw/zinc/48/22/70/1067482270.db2.gz AJHKFFRBEOHYNH-LBPRGKRZSA-N 0 3 309.316 2.101 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2oc(CC)nc2C)C1 ZINC001267112969 1078590410 /nfs/dbraw/zinc/59/04/10/1078590410.db2.gz BBVJDXYAFPHQGC-CQSZACIVSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CC ZINC001483612163 1078626332 /nfs/dbraw/zinc/62/63/32/1078626332.db2.gz FTTFHANQBLEZIQ-GOEBONIOSA-N 0 3 300.402 2.246 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(C)n(C)n2)[C@H](CC)C1 ZINC001483612719 1078626556 /nfs/dbraw/zinc/62/65/56/1078626556.db2.gz NIAMROPNXWIKHF-NVXWUHKLSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(C)OCCc2ccccc21 ZINC001640020527 1078637844 /nfs/dbraw/zinc/63/78/44/1078637844.db2.gz WSKSKEGRQJYEOX-IBGZPJMESA-N 0 3 316.445 2.441 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC1CCCCCC1 ZINC001570594304 1068026759 /nfs/dbraw/zinc/02/67/59/1068026759.db2.gz ZOKSBTAQBLQDIZ-CABCVRRESA-N 0 3 323.481 2.274 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001570597727 1068029803 /nfs/dbraw/zinc/02/98/03/1068029803.db2.gz BPYXRVXLIMKXKL-CHWSQXEVSA-N 0 3 303.431 2.406 20 30 DEEDHN C=C(C)CCC(=O)N1CCC([C@@H](C)NCc2ccn(C)n2)CC1 ZINC001267185292 1078648938 /nfs/dbraw/zinc/64/89/38/1078648938.db2.gz MILYTOSXOYRHPW-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)C1C=CC=CC=C1 ZINC001570810089 1068123483 /nfs/dbraw/zinc/12/34/83/1068123483.db2.gz HZHVGGQGTDLNIB-SFHVURJKSA-N 0 3 316.445 2.199 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001570839932 1068136178 /nfs/dbraw/zinc/13/61/78/1068136178.db2.gz UTVZBFGAMDJTCF-KXBFYZLASA-N 0 3 316.445 2.259 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001570857381 1068141520 /nfs/dbraw/zinc/14/15/20/1068141520.db2.gz CNEBNRJGIDDNCH-CQSZACIVSA-N 0 3 314.404 2.317 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(C[C@@H](C)O)CC2(C)C)CCCCC1 ZINC001570909983 1068158155 /nfs/dbraw/zinc/15/81/55/1068158155.db2.gz UTGDJFDTJAWGJG-HZPDHXFCSA-N 0 3 320.477 2.168 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CN(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001510671358 1068173289 /nfs/dbraw/zinc/17/32/89/1068173289.db2.gz FODJRBBWPKSVRD-HOCLYGCPSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](CCCNCc1cc(F)ccc1F)NC(=O)[C@@H](C)C#N ZINC001571237571 1068198767 /nfs/dbraw/zinc/19/87/67/1068198767.db2.gz WLQOCDMCSYFHMI-NWDGAFQWSA-N 0 3 309.360 2.499 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnn(C)c1Cl ZINC001571278033 1068209263 /nfs/dbraw/zinc/20/92/63/1068209263.db2.gz UJCYIEQQBYYBMN-JTQLQIEISA-N 0 3 319.236 2.314 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC001571332993 1068228709 /nfs/dbraw/zinc/22/87/09/1068228709.db2.gz ARHLYILFGGQZME-HNNXBMFYSA-N 0 3 318.465 2.445 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001571345008 1068237677 /nfs/dbraw/zinc/23/76/77/1068237677.db2.gz XUDUAWPPEZXZKO-UHFFFAOYSA-N 0 3 316.445 2.296 20 30 DEEDHN Cc1cc(CN[C@H](CCNC(=O)C#CC(C)C)C(C)C)no1 ZINC001571349147 1068239315 /nfs/dbraw/zinc/23/93/15/1068239315.db2.gz CAIRNTVIIZDZTC-MRXNPFEDSA-N 0 3 305.422 2.263 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1c(C)cccc1C ZINC001571407002 1068280471 /nfs/dbraw/zinc/28/04/71/1068280471.db2.gz NFSDLVIAERVZFN-MRXNPFEDSA-N 0 3 302.418 2.003 20 30 DEEDHN C=CCN[C@H](CO)CNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001571447936 1068296223 /nfs/dbraw/zinc/29/62/23/1068296223.db2.gz LNXFKYKCSJJYAO-ZDUSSCGKSA-N 0 3 310.825 2.330 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001571452588 1068299294 /nfs/dbraw/zinc/29/92/94/1068299294.db2.gz PEQJFEDCCOXCFT-CJNGLKHVSA-N 0 3 306.381 2.107 20 30 DEEDHN C=CCC1(C(=O)NCCN(C)CCc2cnn(C)c2)CCCC1 ZINC001267233911 1078685932 /nfs/dbraw/zinc/68/59/32/1078685932.db2.gz XBCIVIGMSKLSCC-UHFFFAOYSA-N 0 3 318.465 2.147 20 30 DEEDHN CCc1nc(C)c(CN(CCCNC(=O)[C@@H](C)C#N)C(C)C)o1 ZINC001267239126 1078689561 /nfs/dbraw/zinc/68/95/61/1078689561.db2.gz ALCAELPRSDGGEG-ZDUSSCGKSA-N 0 3 320.437 2.422 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)Cc1ccc2c(c1)COC2 ZINC001267241390 1078691546 /nfs/dbraw/zinc/69/15/46/1078691546.db2.gz WECYGWLCBSGKGK-UHFFFAOYSA-N 0 3 314.429 2.314 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)Cc1cccc(N(C)C)c1 ZINC001267240961 1078691846 /nfs/dbraw/zinc/69/18/46/1078691846.db2.gz FWLRPLMVLVXABT-UHFFFAOYSA-N 0 3 313.445 2.104 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001571480179 1068334586 /nfs/dbraw/zinc/33/45/86/1068334586.db2.gz ANLIQYROTGZRDW-GJZGRUSLSA-N 0 3 324.428 2.098 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cccc(F)c2F)C1 ZINC001571488047 1068344029 /nfs/dbraw/zinc/34/40/29/1068344029.db2.gz ZBZLUTGVLQHDAE-JSGCOSHPSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001571491313 1068347230 /nfs/dbraw/zinc/34/72/30/1068347230.db2.gz PIYAMXOLAORKTN-ZIAGYGMSSA-N 0 3 311.385 2.352 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)c3ccncc3)CCC[C@@H]12 ZINC001571501380 1068360096 /nfs/dbraw/zinc/36/00/96/1068360096.db2.gz PYHKQVABNWACKL-SZVBFZGTSA-N 0 3 311.429 2.322 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CC)CCO[C@@H]2CC2(F)F)C1 ZINC001267251396 1078699244 /nfs/dbraw/zinc/69/92/44/1078699244.db2.gz FJVANJXZJCVHHP-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)c2ccc(C)cc2)CC1(C)C ZINC001571567497 1068423730 /nfs/dbraw/zinc/42/37/30/1068423730.db2.gz PLCHKCVBUBIRAT-QGZVFWFLSA-N 0 3 314.429 2.085 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc2cccc(F)c2o1 ZINC001571609194 1068437715 /nfs/dbraw/zinc/43/77/15/1068437715.db2.gz YIOWEKHOKWUSEW-ZDUSSCGKSA-N 0 3 320.364 2.123 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](CNCCF)C(C)(C)C)CCOCC1 ZINC001571637097 1068452642 /nfs/dbraw/zinc/45/26/42/1068452642.db2.gz PNUNYZXTCVQLHZ-AWEZNQCLSA-N 0 3 314.445 2.449 20 30 DEEDHN O=C(C#CC1CC1)NC1(C2CCN(Cc3ccccn3)CC2)CC1 ZINC001571668825 1068470269 /nfs/dbraw/zinc/47/02/69/1068470269.db2.gz FFJMLLDZAMLQCC-UHFFFAOYSA-N 0 3 323.440 2.356 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H](CC)N(C)C ZINC001571719242 1068498609 /nfs/dbraw/zinc/49/86/09/1068498609.db2.gz OMHWHWPBUGWEQA-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001572260072 1068708052 /nfs/dbraw/zinc/70/80/52/1068708052.db2.gz RQSDVVQTGSXIQY-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1OCCc2ccccc21)C1CC1 ZINC001267331018 1078770849 /nfs/dbraw/zinc/77/08/49/1078770849.db2.gz VIUAGVZGLCLMSI-KRWDZBQOSA-N 0 3 300.402 2.067 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001483673075 1078772001 /nfs/dbraw/zinc/77/20/01/1078772001.db2.gz ZUQQPLLMEORDGT-OAHLLOKOSA-N 0 3 304.438 2.279 20 30 DEEDHN CCc1ocnc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267358647 1078790219 /nfs/dbraw/zinc/79/02/19/1078790219.db2.gz IKYGLUKQVHJESE-UHFFFAOYSA-N 0 3 318.402 2.032 20 30 DEEDHN Cc1nc(C)c(C(=O)N(C)CCNCc2cccc(C#N)c2)o1 ZINC001267359153 1078791718 /nfs/dbraw/zinc/79/17/18/1078791718.db2.gz BXIUYXZYRODVJR-UHFFFAOYSA-N 0 3 312.373 2.025 20 30 DEEDHN C#CCCCCC(=O)N(C)CCNCc1ccc(C)nc1C ZINC001267365359 1078795857 /nfs/dbraw/zinc/79/58/57/1078795857.db2.gz VQVJHJZVEFDJQL-UHFFFAOYSA-N 0 3 301.434 2.440 20 30 DEEDHN C=C(C)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN(C)C1 ZINC001515823340 1068900271 /nfs/dbraw/zinc/90/02/71/1068900271.db2.gz NEQYEXASBIYHLY-CYBMUJFWSA-N 0 3 315.425 2.141 20 30 DEEDHN CO[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001518477434 1069005382 /nfs/dbraw/zinc/00/53/82/1069005382.db2.gz TWWFWJUOPRYXAS-OWCLPIDISA-N 0 3 314.385 2.135 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCN[C@H](C)C(=O)NC1CCCC1 ZINC001267424675 1078844132 /nfs/dbraw/zinc/84/41/32/1078844132.db2.gz YHTIOCDDBINMNL-RDTXWAMCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001267451026 1078856875 /nfs/dbraw/zinc/85/68/75/1078856875.db2.gz UMQFDSPYUABXSR-KRWDZBQOSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC001521354428 1069234988 /nfs/dbraw/zinc/23/49/88/1069234988.db2.gz HODBRZPJCQXPTJ-QMMMGPOBSA-N 0 3 307.341 2.462 20 30 DEEDHN C#Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)c1 ZINC001574765524 1069259044 /nfs/dbraw/zinc/25/90/44/1069259044.db2.gz FESRUAGOALGMRP-INIZCTEOSA-N 0 3 319.364 2.132 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(C)c1C(=O)OC ZINC001574857413 1069279510 /nfs/dbraw/zinc/27/95/10/1069279510.db2.gz SHOCAIPMEWPQDT-NSHDSACASA-N 0 3 310.781 2.498 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)c(F)cc1NC(C)=O ZINC001574857372 1069279750 /nfs/dbraw/zinc/27/97/50/1069279750.db2.gz RBZIZXDUCQTOBV-JTQLQIEISA-N 0 3 317.723 2.332 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC001574908200 1069295162 /nfs/dbraw/zinc/29/51/62/1069295162.db2.gz HIKIKWWYPCLMNV-ZDUSSCGKSA-N 0 3 318.352 2.176 20 30 DEEDHN C=CCOCCN1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001574943253 1069302497 /nfs/dbraw/zinc/30/24/97/1069302497.db2.gz FKYMNAKVBLRPSX-JKSUJKDBSA-N 0 3 302.418 2.171 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCCCO1 ZINC001409458338 1082899867 /nfs/dbraw/zinc/89/98/67/1082899867.db2.gz SADRTRMGUOOOOX-ZDUSSCGKSA-N 0 3 302.846 2.382 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1sccc1OC)CC2 ZINC001272461315 1078894334 /nfs/dbraw/zinc/89/43/34/1078894334.db2.gz FFDKOWFGNSTASK-CYBMUJFWSA-N 0 3 318.442 2.108 20 30 DEEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)c1cn[nH]c1 ZINC001267498713 1078924698 /nfs/dbraw/zinc/92/46/98/1078924698.db2.gz VLLXCNPQYBYLIS-UHFFFAOYSA-N 0 3 324.428 2.292 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)CCN1C ZINC001545105911 1072560456 /nfs/dbraw/zinc/56/04/56/1072560456.db2.gz RVUWWGVTMODOBL-HZYUJGRASA-N 0 3 304.365 2.007 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H](NCC=C)c2ccccc2)c1 ZINC001267523400 1078952732 /nfs/dbraw/zinc/95/27/32/1078952732.db2.gz SNSWRKQGMHCKOJ-GOSISDBHSA-N 0 3 305.381 2.310 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)Cc2cccc(F)c2)CCC1 ZINC001280547343 1078958482 /nfs/dbraw/zinc/95/84/82/1078958482.db2.gz FRVAWRDICOOGCP-AWEZNQCLSA-N 0 3 302.393 2.266 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)CCCC(C)C)C1 ZINC001267564497 1078997871 /nfs/dbraw/zinc/99/78/71/1078997871.db2.gz BYEONZKYDWVNAC-QGZVFWFLSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](CCC)OC)C1 ZINC001368640360 1148543156 /nfs/dbraw/zinc/54/31/56/1148543156.db2.gz CTRJZPTZYYBLMZ-MJBXVCDLSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001481033759 1079099048 /nfs/dbraw/zinc/09/90/48/1079099048.db2.gz WTURAFDMIIPFTI-KDOFPFPSSA-N 0 3 311.429 2.416 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC001649441398 1079120940 /nfs/dbraw/zinc/12/09/40/1079120940.db2.gz AHSGYYGKQPOBHY-XLAORIBOSA-N 0 3 314.429 2.435 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@H](C)CCCCC)CCO1 ZINC001649461390 1079129663 /nfs/dbraw/zinc/12/96/63/1079129663.db2.gz XQKIOTTZALQNCX-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)OCC(C)C)C2)C1 ZINC001483829107 1079141328 /nfs/dbraw/zinc/14/13/28/1079141328.db2.gz GWAPWYNYPLETQR-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(CCOC)CCC3)C2)C1 ZINC001483832366 1079142137 /nfs/dbraw/zinc/14/21/37/1079142137.db2.gz HQGSABQBQLTTMN-GOSISDBHSA-N 0 3 318.461 2.141 20 30 DEEDHN Cc1cc(C(=O)N2CCC[C@@H]2CNCC#Cc2ccccc2)on1 ZINC001483919436 1079184115 /nfs/dbraw/zinc/18/41/15/1079184115.db2.gz HQAIDUXPBALUKV-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCc2cncc(C)c2)CC1 ZINC001566610529 1074107197 /nfs/dbraw/zinc/10/71/97/1074107197.db2.gz GDAPTYORYNPOGU-UHFFFAOYSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(CCOC2CCC2)CC1 ZINC001483979460 1079222142 /nfs/dbraw/zinc/22/21/42/1079222142.db2.gz WTGADMREUDLAPQ-YJBOKZPZSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCOCc2ccccc2)C1 ZINC001481124593 1079223297 /nfs/dbraw/zinc/22/32/97/1079223297.db2.gz QQFKQPCUOMEDLH-SFHVURJKSA-N 0 3 314.429 2.055 20 30 DEEDHN C#CCN(C(=O)CC[C@H]1CCCO1)C1CCN(CC(=C)C)CC1 ZINC001483980280 1079223462 /nfs/dbraw/zinc/22/34/62/1079223462.db2.gz JLQOCVDPGAIXJX-GOSISDBHSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)OCC1CC1)C2 ZINC001484019746 1079245209 /nfs/dbraw/zinc/24/52/09/1079245209.db2.gz JOMYRRMRKUGEGI-QFBILLFUSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001481141757 1079249737 /nfs/dbraw/zinc/24/97/37/1079249737.db2.gz GEFJUFMLYDYVDQ-SFHVURJKSA-N 0 3 314.429 2.150 20 30 DEEDHN N#CCSCC(=O)N[C@H]1CCCN(CCCC2CCC2)C1 ZINC001267621726 1079288049 /nfs/dbraw/zinc/28/80/49/1079288049.db2.gz XLTNURDJDMOHEQ-HNNXBMFYSA-N 0 3 309.479 2.404 20 30 DEEDHN C=C(C)CN(CCNC(=O)Cc1sc(C)nc1C)C1CC1 ZINC001481178998 1079295760 /nfs/dbraw/zinc/29/57/60/1079295760.db2.gz NLPBZKGAWUYION-UHFFFAOYSA-N 0 3 307.463 2.459 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC001481184438 1079303655 /nfs/dbraw/zinc/30/36/55/1079303655.db2.gz OWWMOGKVSHYFIG-CZUORRHYSA-N 0 3 316.449 2.232 20 30 DEEDHN C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1[O-] ZINC001648054110 1074986383 /nfs/dbraw/zinc/98/63/83/1074986383.db2.gz ODWOKYKZWUIHOL-ZDUSSCGKSA-N 0 3 309.369 2.231 20 30 DEEDHN C=CCC1(O)CCN(CCOc2ccc3c(c2)OCO3)CC1 ZINC001648367324 1074996322 /nfs/dbraw/zinc/99/63/22/1074996322.db2.gz YRYJHCSBQABKFO-UHFFFAOYSA-N 0 3 305.374 2.197 20 30 DEEDHN CC[C@@H](F)CNC1(CNC(=O)C#CC(C)(C)C)CCOCC1 ZINC001484181934 1079345788 /nfs/dbraw/zinc/34/57/88/1079345788.db2.gz MGSSWGKCPXODQR-CQSZACIVSA-N 0 3 312.429 2.039 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2nc(C)[nH]c21 ZINC001556467042 1075032584 /nfs/dbraw/zinc/03/25/84/1075032584.db2.gz XLYUIDVZEBJEGV-UHFFFAOYSA-N 0 3 300.406 2.451 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2ncn(C)c21 ZINC001556466548 1075032617 /nfs/dbraw/zinc/03/26/17/1075032617.db2.gz CZVNGAOLCIMTFS-UHFFFAOYSA-N 0 3 300.406 2.153 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CN(CC)CCC1(F)F)OCC ZINC001484196622 1079355030 /nfs/dbraw/zinc/35/50/30/1079355030.db2.gz VCMRZYFEUVAYLF-UONOGXRCSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001329395041 1148891326 /nfs/dbraw/zinc/89/13/26/1148891326.db2.gz DHQHETWEBDKYAW-AWEZNQCLSA-N 0 3 308.397 2.273 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001484254938 1079367075 /nfs/dbraw/zinc/36/70/75/1079367075.db2.gz SFIUUKMPLISKMP-GOSISDBHSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001565832011 1075192542 /nfs/dbraw/zinc/19/25/42/1075192542.db2.gz SHIGNRQDSHQUHZ-MSOLQXFVSA-N 0 3 315.461 2.398 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001565870407 1075201614 /nfs/dbraw/zinc/20/16/14/1075201614.db2.gz UBSBPOOBSLXKKR-JOCQHMNTSA-N 0 3 319.453 2.125 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCOC)C[C@H]1c1ccccc1 ZINC001565883720 1075203379 /nfs/dbraw/zinc/20/33/79/1075203379.db2.gz XEFMDQXDBXGCOP-DLBZAZTESA-N 0 3 316.445 2.429 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCCOC ZINC001565993400 1075213801 /nfs/dbraw/zinc/21/38/01/1075213801.db2.gz RXUYMFLVEUYKPW-BPQIPLTHSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CN(CC)c2ccccc2)[C@H]1C ZINC001566114510 1075230791 /nfs/dbraw/zinc/23/07/91/1075230791.db2.gz INKDXFOAXCYCJC-WBVHZDCISA-N 0 3 301.434 2.278 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CN(C)C[C@@H]1CCCCO1 ZINC001566119394 1075231881 /nfs/dbraw/zinc/23/18/81/1075231881.db2.gz HPJMJXGZJFUXKX-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN N#CCSCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001566617851 1075297780 /nfs/dbraw/zinc/29/77/80/1075297780.db2.gz MGVKFBXESYQZTK-INIZCTEOSA-N 0 3 317.458 2.066 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001566631540 1075302230 /nfs/dbraw/zinc/30/22/30/1075302230.db2.gz YPOUEPZPQJSHKI-ZWKOTPCHSA-N 0 3 313.445 2.425 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)/C=C(/C)C2CC2)CC1 ZINC001566637867 1075303373 /nfs/dbraw/zinc/30/33/73/1075303373.db2.gz NEBUFNJMFSLKCZ-SSZFMOIBSA-N 0 3 305.466 2.043 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(CCCO)C1)c1ccccc1 ZINC001566684173 1075316855 /nfs/dbraw/zinc/31/68/55/1075316855.db2.gz IQVLXWAAUBVAPX-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN O=C(NC[C@@H](NCC#Cc1ccccc1)C1CC1)c1ccco1 ZINC001566701324 1075321263 /nfs/dbraw/zinc/32/12/63/1075321263.db2.gz AZULRRJKHUZDCC-QGZVFWFLSA-N 0 3 308.381 2.429 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001566707884 1075323002 /nfs/dbraw/zinc/32/30/02/1075323002.db2.gz NCQMEHSQDTTZQT-BXUZGUMPSA-N 0 3 321.248 2.117 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](CN(C)CCF)C1 ZINC001566736964 1075330904 /nfs/dbraw/zinc/33/09/04/1075330904.db2.gz VAYUAPZRINNVQI-CABCVRRESA-N 0 3 300.418 2.108 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001566779333 1075342823 /nfs/dbraw/zinc/34/28/23/1075342823.db2.gz VGEWSJVAVGWCHR-KRWDZBQOSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1cccnc1C ZINC001566925698 1075388638 /nfs/dbraw/zinc/38/86/38/1075388638.db2.gz NTTWTBWGUOYZER-INIZCTEOSA-N 0 3 317.433 2.177 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCCCN1CCn1cccn1 ZINC001566925985 1075389086 /nfs/dbraw/zinc/38/90/86/1075389086.db2.gz UFJQNWMIVKXMLC-MRXNPFEDSA-N 0 3 304.438 2.210 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(OC)cc1 ZINC001566929113 1075390452 /nfs/dbraw/zinc/39/04/52/1075390452.db2.gz UBUNLBBKJLHWLX-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2ccc(CC)cn2)C1 ZINC001566965633 1075401845 /nfs/dbraw/zinc/40/18/45/1075401845.db2.gz LAPRCYLTJLTRMX-WBVHZDCISA-N 0 3 313.445 2.036 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2c(F)cccc2F)C1 ZINC001566966621 1075403518 /nfs/dbraw/zinc/40/35/18/1075403518.db2.gz XQEQXGDNOHVYAS-ZIAGYGMSSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1N(C)C ZINC001267716066 1079404159 /nfs/dbraw/zinc/40/41/59/1079404159.db2.gz HLWDKNWJAWTNMC-GJZGRUSLSA-N 0 3 314.433 2.013 20 30 DEEDHN CCC[C@H](CC(C)C)C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001567109489 1075433692 /nfs/dbraw/zinc/43/36/92/1075433692.db2.gz OZSSKZSZBFWOJR-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001567203928 1075463292 /nfs/dbraw/zinc/46/32/92/1075463292.db2.gz ZOERPHDYAHMSDH-MRXNPFEDSA-N 0 3 324.428 2.052 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)NCc2cnc(C)cn2)cc1 ZINC001567225247 1075468010 /nfs/dbraw/zinc/46/80/10/1075468010.db2.gz OITINWAXUBRGHI-CQSZACIVSA-N 0 3 322.412 2.065 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)N(C)CCNCc2ccc(C#N)s2)O1 ZINC001481236720 1079446252 /nfs/dbraw/zinc/44/62/52/1079446252.db2.gz NTDDOAMKBLODMV-SWLSCSKDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCCC(=O)NC[C@H](CC)N[C@@H](C)C(=O)N1CCCCCC1 ZINC001267799420 1079502740 /nfs/dbraw/zinc/50/27/40/1079502740.db2.gz XKWVKYDRRPRGNX-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCC(=O)N1CCC(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001582681270 1076178063 /nfs/dbraw/zinc/17/80/63/1076178063.db2.gz UNYPSXXUASOXSH-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H](O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001588052173 1076434054 /nfs/dbraw/zinc/43/40/54/1076434054.db2.gz WYQATMHFSUYJRD-IAGOWNOFSA-N 0 3 302.418 2.046 20 30 DEEDHN C=CC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588559544 1076453731 /nfs/dbraw/zinc/45/37/31/1076453731.db2.gz KHFROKBGXWISDM-BBRMVZONSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588559544 1076453737 /nfs/dbraw/zinc/45/37/37/1076453737.db2.gz KHFROKBGXWISDM-BBRMVZONSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559544 1076453743 /nfs/dbraw/zinc/45/37/43/1076453743.db2.gz KHFROKBGXWISDM-BBRMVZONSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559544 1076453746 /nfs/dbraw/zinc/45/37/46/1076453746.db2.gz KHFROKBGXWISDM-BBRMVZONSA-N 0 3 313.405 2.188 20 30 DEEDHN C=C[C@H](C(=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001609264180 1077820417 /nfs/dbraw/zinc/82/04/17/1077820417.db2.gz GCPZEJKKOKVWRK-AEFFLSMTSA-N 0 3 300.402 2.224 20 30 DEEDHN C=C[C@H](C(=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001609264180 1077820425 /nfs/dbraw/zinc/82/04/25/1077820425.db2.gz GCPZEJKKOKVWRK-AEFFLSMTSA-N 0 3 300.402 2.224 20 30 DEEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)NCc1scnc1C ZINC001267803789 1079505975 /nfs/dbraw/zinc/50/59/75/1079505975.db2.gz VYIBJMQLUNECDH-CYBMUJFWSA-N 0 3 307.463 2.485 20 30 DEEDHN N#Cc1ccc(CCNC(=O)c2cccc3c2OCCNC3)cc1 ZINC001650367127 1079566475 /nfs/dbraw/zinc/56/64/75/1079566475.db2.gz PYLZNZXQHOYWJY-UHFFFAOYSA-N 0 3 321.380 2.013 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1[nH]cnc1C ZINC001272682362 1079583628 /nfs/dbraw/zinc/58/36/28/1079583628.db2.gz JORLTPUWEKINEE-UHFFFAOYSA-N 0 3 310.401 2.103 20 30 DEEDHN C=CCCC(=O)N1CCC(CCNCc2nccn2C)CC1 ZINC001267907318 1079592276 /nfs/dbraw/zinc/59/22/76/1079592276.db2.gz ULOGPXGOYIBQCF-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN C[C@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)C(C)(F)F ZINC001481281460 1079616010 /nfs/dbraw/zinc/61/60/10/1079616010.db2.gz PAFXWMJPAVJHMQ-GFCCVEGCSA-N 0 3 309.360 2.398 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001650442433 1079627936 /nfs/dbraw/zinc/62/79/36/1079627936.db2.gz RFUJZMJOQSPZKB-IHRRRGAJSA-N 0 3 324.388 2.057 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2cc(C)ns2)C[C@H]1C ZINC001283968975 1079639732 /nfs/dbraw/zinc/63/97/32/1079639732.db2.gz MPORYFPQFNTNOB-ZIAGYGMSSA-N 0 3 305.447 2.334 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](OC)C2CC2)cc1 ZINC001484559250 1079659990 /nfs/dbraw/zinc/65/99/90/1079659990.db2.gz OSZKGKJJQGPQEO-KSSFIOAISA-N 0 3 314.429 2.402 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CC[C@@H](C)C2)CCC1 ZINC001484647014 1079703785 /nfs/dbraw/zinc/70/37/85/1079703785.db2.gz BAYQLVMNMKCOFC-CVEARBPZSA-N 0 3 306.450 2.091 20 30 DEEDHN C=CCCCN1CC[C@@]2(NC(=O)c3cnns3)CCC[C@H]12 ZINC001284029002 1079717120 /nfs/dbraw/zinc/71/71/20/1079717120.db2.gz IOCRQJLTXDJMSK-ZFWWWQNUSA-N 0 3 306.435 2.231 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](NC(=O)CC)CC1 ZINC001484703916 1079730241 /nfs/dbraw/zinc/73/02/41/1079730241.db2.gz LBBKVSNDSZBYJO-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC001484717019 1079742367 /nfs/dbraw/zinc/74/23/67/1079742367.db2.gz CEYMLTADTLQLQX-OAHLLOKOSA-N 0 3 324.428 2.099 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001484742497 1079761406 /nfs/dbraw/zinc/76/14/06/1079761406.db2.gz DHMMMAIGTUQHFC-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001484763049 1079776116 /nfs/dbraw/zinc/77/61/16/1079776116.db2.gz AGAZSJNXQIVOMU-UYAOXDASSA-N 0 3 310.441 2.304 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481447824 1079867227 /nfs/dbraw/zinc/86/72/27/1079867227.db2.gz UNNRWRXEHXRRGK-QAPCUYQASA-N 0 3 318.465 2.351 20 30 DEEDHN Cc1ncccc1CN1CC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 ZINC001484931246 1079871798 /nfs/dbraw/zinc/87/17/98/1079871798.db2.gz GMBLIPZJGXTVEA-XJKSGUPXSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCOCC(F)F)[C@@H](C)C1 ZINC001484968486 1079886204 /nfs/dbraw/zinc/88/62/04/1079886204.db2.gz QXKJUMNNXRBMOJ-QWHCGFSZSA-N 0 3 304.381 2.203 20 30 DEEDHN O=C(NCC1(NCC#Cc2ccc(F)cc2)CCC1)C(F)F ZINC001673139679 1079923840 /nfs/dbraw/zinc/92/38/40/1079923840.db2.gz XDMGKHRDFYFQEF-UHFFFAOYSA-N 0 3 310.319 2.071 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1ccc(C)c(F)c1)[C@@H]1CCCO1 ZINC001654219337 1079957722 /nfs/dbraw/zinc/95/77/22/1079957722.db2.gz WFRACYMAGUGBEV-CVEARBPZSA-N 0 3 304.365 2.233 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H]2CN(C)CCO)CCCCC1 ZINC001485078462 1079964422 /nfs/dbraw/zinc/96/44/22/1079964422.db2.gz GCWHFUOWNGDCOG-MRXNPFEDSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1cnc(C)nc1 ZINC001268066207 1080009333 /nfs/dbraw/zinc/00/93/33/1080009333.db2.gz PYRNZUZGUDTRLK-ZDUSSCGKSA-N 0 3 304.438 2.324 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](C)[C@H](C)NCc1ccccn1 ZINC001485219422 1080064028 /nfs/dbraw/zinc/06/40/28/1080064028.db2.gz XXXZSHLNTTUXSM-HOTGVXAUSA-N 0 3 321.424 2.288 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)c1cccs1 ZINC001268104259 1080074714 /nfs/dbraw/zinc/07/47/14/1080074714.db2.gz QDISQZMIXHUXOW-AWEZNQCLSA-N 0 3 308.447 2.132 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2nc(C)oc2C)[C@@H](C)C1 ZINC001268126815 1080094293 /nfs/dbraw/zinc/09/42/93/1080094293.db2.gz GLYAKEZHMGJMSJ-BBRMVZONSA-N 0 3 317.433 2.422 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001485262160 1080095768 /nfs/dbraw/zinc/09/57/68/1080095768.db2.gz GSTXLAOJAFQJHX-OAHLLOKOSA-N 0 3 302.846 2.240 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(C)(CC)CC)n1 ZINC001656647118 1080109588 /nfs/dbraw/zinc/10/95/88/1080109588.db2.gz UJKVCGYTPRCQOQ-UHFFFAOYSA-N 0 3 320.437 2.290 20 30 DEEDHN C[C@@H](CNC(=O)CSCC#N)N(C)C/C=C\c1ccccc1 ZINC001485275935 1080116133 /nfs/dbraw/zinc/11/61/33/1080116133.db2.gz IQUAWCZGIHPUKD-AJHXJQRKSA-N 0 3 317.458 2.393 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CCNCc1cnns1 ZINC001268146400 1080117251 /nfs/dbraw/zinc/11/72/51/1080117251.db2.gz XVKIWYDTOLROEP-ZDUSSCGKSA-N 0 3 308.451 2.365 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001656779449 1080122880 /nfs/dbraw/zinc/12/28/80/1080122880.db2.gz ALSFERFLHVLHFZ-FJIDUMEYSA-N 0 3 320.477 2.284 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001657091097 1080155393 /nfs/dbraw/zinc/15/53/93/1080155393.db2.gz FGNRGUXUDNOJJP-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCc1cnn(CC)c1 ZINC001485338468 1080164140 /nfs/dbraw/zinc/16/41/40/1080164140.db2.gz LJRDHYYLSXLPGD-CQSZACIVSA-N 0 3 306.454 2.094 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCCO[C@H]2CCOC2)C1 ZINC001268194030 1080180532 /nfs/dbraw/zinc/18/05/32/1080180532.db2.gz SGRBVYKGIXBANT-IRXDYDNUSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN(C)[C@H](C)CNC(=O)C(=O)Nc1c(C)cccc1C ZINC001485392166 1080190406 /nfs/dbraw/zinc/19/04/06/1080190406.db2.gz BUPJDVMVISVRMJ-OAHLLOKOSA-N 0 3 317.433 2.255 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cccc2c1CCC2 ZINC001485391740 1080190998 /nfs/dbraw/zinc/19/09/98/1080190998.db2.gz ZMUVNVQJOOJNSV-OAHLLOKOSA-N 0 3 316.445 2.428 20 30 DEEDHN Cc1ccccc1CN(C)CCN(C)C(=O)CSCC#N ZINC001268231074 1080213158 /nfs/dbraw/zinc/21/31/58/1080213158.db2.gz UIUBTPBYTSLYCX-UHFFFAOYSA-N 0 3 305.447 2.142 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001268236771 1080218306 /nfs/dbraw/zinc/21/83/06/1080218306.db2.gz GVKGAQALBJRZAK-UHFFFAOYSA-N 0 3 304.287 2.433 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnns2)CCCCC1 ZINC001485447474 1080219771 /nfs/dbraw/zinc/21/97/71/1080219771.db2.gz NSRKNZGSOSOJST-UHFFFAOYSA-N 0 3 314.842 2.313 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cn(C)nc1C1CCCC1 ZINC001268249000 1080229380 /nfs/dbraw/zinc/22/93/80/1080229380.db2.gz NLGOPCKHURLNCK-UHFFFAOYSA-N 0 3 304.438 2.268 20 30 DEEDHN COC(=O)c1csc(CNCCNc2ncccc2C#N)c1 ZINC001659139892 1080232084 /nfs/dbraw/zinc/23/20/84/1080232084.db2.gz TWZYKLIEULZCEQ-UHFFFAOYSA-N 0 3 316.386 2.003 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(N2CCCC2)nc1 ZINC001268252736 1080232623 /nfs/dbraw/zinc/23/26/23/1080232623.db2.gz FLSAENQQXPHROG-UHFFFAOYSA-N 0 3 316.449 2.262 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC001485485018 1080259305 /nfs/dbraw/zinc/25/93/05/1080259305.db2.gz NHPUHXBRMRAYSZ-MRXNPFEDSA-N 0 3 324.428 2.099 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C1CN(CCc2cnn(CC)c2)C1 ZINC001485506321 1080267595 /nfs/dbraw/zinc/26/75/95/1080267595.db2.gz MBSFSKWOERAIHW-OAHLLOKOSA-N 0 3 318.465 2.238 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)C#CC2CC2)cc1F ZINC001660129408 1080273892 /nfs/dbraw/zinc/27/38/92/1080273892.db2.gz VNXZXFBHKVEXAN-UHFFFAOYSA-N 0 3 318.392 2.186 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001485527044 1080283327 /nfs/dbraw/zinc/28/33/27/1080283327.db2.gz PJRLTNXZEFSJSB-OAHLLOKOSA-N 0 3 323.440 2.479 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001481699053 1080316710 /nfs/dbraw/zinc/31/67/10/1080316710.db2.gz DFEFPBZFOOQUFA-QGZVFWFLSA-N 0 3 302.418 2.197 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001481705397 1080328966 /nfs/dbraw/zinc/32/89/66/1080328966.db2.gz DDSAWBZOUKWVNF-CRAIPNDOSA-N 0 3 316.445 2.472 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3cccc(Cl)c3)[C@@H]2C1 ZINC001485608839 1080330622 /nfs/dbraw/zinc/33/06/22/1080330622.db2.gz FPIZRNCLBMQABR-OSYLJGHBSA-N 0 3 316.832 2.200 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc(-n2cccn2)c1)C1CC1 ZINC001660731755 1080389222 /nfs/dbraw/zinc/38/92/22/1080389222.db2.gz LSKOTGLFDUXKFH-UHFFFAOYSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001485776791 1080417446 /nfs/dbraw/zinc/41/74/46/1080417446.db2.gz WNSLJFNNIWZOPV-AWEZNQCLSA-N 0 3 322.836 2.141 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001660980662 1080423466 /nfs/dbraw/zinc/42/34/66/1080423466.db2.gz RAGVNNIUVKCERU-NVXWUHKLSA-N 0 3 322.474 2.383 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cn(CC)nn2)C1 ZINC001661030854 1080432111 /nfs/dbraw/zinc/43/21/11/1080432111.db2.gz CBDREPKTVBDJEI-CQSZACIVSA-N 0 3 307.442 2.073 20 30 DEEDHN CCC(CC)C(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001661055144 1080434781 /nfs/dbraw/zinc/43/47/81/1080434781.db2.gz XCZBTTIQMMBUDC-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2cccc(F)c2)C1 ZINC001481777821 1080492298 /nfs/dbraw/zinc/49/22/98/1080492298.db2.gz CMHBCACBOOCJPC-KRWDZBQOSA-N 0 3 302.393 2.314 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001661722609 1080513786 /nfs/dbraw/zinc/51/37/86/1080513786.db2.gz AJCQQLAGXOMEKX-SJORKVTESA-N 0 3 313.445 2.427 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001661742368 1080516806 /nfs/dbraw/zinc/51/68/06/1080516806.db2.gz BTWYFHHJONDULQ-LBPRGKRZSA-N 0 3 310.850 2.405 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001661880088 1080539983 /nfs/dbraw/zinc/53/99/83/1080539983.db2.gz FMXRASSKYVWVFZ-INIZCTEOSA-N 0 3 317.433 2.267 20 30 DEEDHN C=CCCOCC(=O)NC1CCC(NCc2nccs2)CC1 ZINC001662141605 1080574267 /nfs/dbraw/zinc/57/42/67/1080574267.db2.gz BMOQNNVLYFCKOH-UHFFFAOYSA-N 0 3 323.462 2.253 20 30 DEEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC12CC2 ZINC001268483344 1080603119 /nfs/dbraw/zinc/60/31/19/1080603119.db2.gz GPAKDYFSICJTEG-OAHLLOKOSA-N 0 3 315.392 2.436 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CC(OC)C1)C1CC1 ZINC001481932317 1080620657 /nfs/dbraw/zinc/62/06/57/1080620657.db2.gz QMVQABWONGHENS-ABIUDSBCSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@](C)(CNCc1ccnn1C)C1CC1 ZINC001481931132 1080621028 /nfs/dbraw/zinc/62/10/28/1080621028.db2.gz QYRIOZBUVNHVBN-GOSISDBHSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccnc(C)n1)C1CC1 ZINC001481951194 1080641469 /nfs/dbraw/zinc/64/14/69/1080641469.db2.gz JWROICOSTDPJFD-HNNXBMFYSA-N 0 3 308.813 2.026 20 30 DEEDHN C[C@@H](C(=O)NC/C=C\CNCc1cccc(C#N)c1)n1cccc1 ZINC001268528122 1080722397 /nfs/dbraw/zinc/72/23/97/1080722397.db2.gz DUIUDSRWAFVUQC-YPQKKHBXSA-N 0 3 322.412 2.383 20 30 DEEDHN Cc1nc(C)c(CN2CCC(CCNC(=O)[C@H](C)C#N)CC2)o1 ZINC001482040300 1080735482 /nfs/dbraw/zinc/73/54/82/1080735482.db2.gz LSVLTKGBAVOCJQ-GFCCVEGCSA-N 0 3 318.421 2.169 20 30 DEEDHN C=CCN(CC)CCNC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001663406864 1080741704 /nfs/dbraw/zinc/74/17/04/1080741704.db2.gz ITNNKLQDANYHQK-RYUDHWBXSA-N 0 3 308.344 2.111 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C(C)(C)c2ccccc2OC)C1 ZINC001663645288 1080798274 /nfs/dbraw/zinc/79/82/74/1080798274.db2.gz SCKPIFWEJQXTLT-OAHLLOKOSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)Cc1c(F)cccc1F ZINC001663680139 1080802242 /nfs/dbraw/zinc/80/22/42/1080802242.db2.gz XTXBURPPYVJZBR-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN C=CCN(CCNC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1)C1CC1 ZINC001663739402 1080809635 /nfs/dbraw/zinc/80/96/35/1080809635.db2.gz CNAGHFMRRVKISP-OLZOCXBDSA-N 0 3 320.355 2.253 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2(C)CCCCCC2)CC1 ZINC001670797364 1080825559 /nfs/dbraw/zinc/82/55/59/1080825559.db2.gz DURVQWUTAAJKHT-UHFFFAOYSA-N 0 3 306.450 2.235 20 30 DEEDHN COC[C@H](C)[C@@H](C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001663977677 1080843885 /nfs/dbraw/zinc/84/38/85/1080843885.db2.gz OHBAEYMXIGYCGK-LSDHHAIUSA-N 0 3 317.433 2.025 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001482147772 1080859033 /nfs/dbraw/zinc/85/90/33/1080859033.db2.gz BGFDEKVZWBAKBO-JEBQAFNWSA-N 0 3 311.429 2.446 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCNCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC001664115569 1080861092 /nfs/dbraw/zinc/86/10/92/1080861092.db2.gz DKPYOIMWQWZQCA-GASCZTMLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN[C@@H](C)C(=O)NC(CC)CC)C1 ZINC001664174687 1080871493 /nfs/dbraw/zinc/87/14/93/1080871493.db2.gz YLKFYEUYIBHWBR-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001268624559 1080901279 /nfs/dbraw/zinc/90/12/79/1080901279.db2.gz DKAFGNBKNSFUFF-NSCUHMNNSA-N 0 3 308.385 2.271 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CC1(C)C ZINC001268642054 1080912693 /nfs/dbraw/zinc/91/26/93/1080912693.db2.gz IEYWFRXUURRDES-CZUORRHYSA-N 0 3 302.393 2.318 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)CCC(F)F ZINC001268655564 1080918577 /nfs/dbraw/zinc/91/85/77/1080918577.db2.gz VKYPATFULMWMAL-GFCCVEGCSA-N 0 3 312.335 2.317 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cnn2c1CCCC2)c1ccccc1 ZINC001664598884 1080929889 /nfs/dbraw/zinc/92/98/89/1080929889.db2.gz NKIFRWZRPKKFLD-KRWDZBQOSA-N 0 3 324.428 2.466 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnn2c1CCCC2)c1ccccc1 ZINC001664598885 1080930149 /nfs/dbraw/zinc/93/01/49/1080930149.db2.gz NKIFRWZRPKKFLD-QGZVFWFLSA-N 0 3 324.428 2.466 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H]2CCCCO2)C1 ZINC001664661954 1080937461 /nfs/dbraw/zinc/93/74/61/1080937461.db2.gz JZLLXDKDSACKCW-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCc2cnccn2)C1 ZINC001664685573 1080942592 /nfs/dbraw/zinc/94/25/92/1080942592.db2.gz CUGPYFAGCNUOAL-KRWDZBQOSA-N 0 3 316.449 2.298 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccc(Cl)o1 ZINC001268722365 1080951380 /nfs/dbraw/zinc/95/13/80/1080951380.db2.gz RYKXJYUXJRJXRE-LLVKDONJSA-N 0 3 300.786 2.186 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001664734857 1080952821 /nfs/dbraw/zinc/95/28/21/1080952821.db2.gz KXYCYSRQLSUXJP-IRXDYDNUSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CN(C)Cc2c(C)noc2C)C1 ZINC001664802671 1080963196 /nfs/dbraw/zinc/96/31/96/1080963196.db2.gz VAIFNZUFRFHJSS-INIZCTEOSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001665392465 1081022801 /nfs/dbraw/zinc/02/28/01/1081022801.db2.gz OLTMZJMNFAZLAV-KKUMJFAQSA-N 0 3 314.433 2.081 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCCc2ccc(OC)cc2)C1 ZINC001268873982 1081027194 /nfs/dbraw/zinc/02/71/94/1081027194.db2.gz DWIKSWATURZDIB-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001665481536 1081033976 /nfs/dbraw/zinc/03/39/76/1081033976.db2.gz DNRPOSNSRMGBIS-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001665714505 1081069804 /nfs/dbraw/zinc/06/98/04/1081069804.db2.gz CNXYOPGHQSPAFU-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC001269010076 1081083255 /nfs/dbraw/zinc/08/32/55/1081083255.db2.gz ZRAFGNXRABWHIC-KGLIPLIRSA-N 0 3 316.392 2.205 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001269025591 1081089502 /nfs/dbraw/zinc/08/95/02/1081089502.db2.gz ASRHGKCRGGKCFC-GJZGRUSLSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2n[nH]c(C3CC3)n2)CCCC1 ZINC001665904323 1081095725 /nfs/dbraw/zinc/09/57/25/1081095725.db2.gz CDKJLZTXKUGNBD-UHFFFAOYSA-N 0 3 317.437 2.167 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2cc(OC)no2)CC1 ZINC001666283255 1081140061 /nfs/dbraw/zinc/14/00/61/1081140061.db2.gz CJTWWQGOQWHZCK-HDJSIYSDSA-N 0 3 319.405 2.004 20 30 DEEDHN C=C(C)CCC(=O)NCCC1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC001666368232 1081149155 /nfs/dbraw/zinc/14/91/55/1081149155.db2.gz RHMJZHSHKFAIDG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCc1ccc(C)cc1C ZINC001666571047 1081163233 /nfs/dbraw/zinc/16/32/33/1081163233.db2.gz TZIWTJZMIBDDJV-UHFFFAOYSA-N 0 3 315.461 2.490 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001269278024 1081195029 /nfs/dbraw/zinc/19/50/29/1081195029.db2.gz BAUDJGYNQAYTMJ-OLZOCXBDSA-N 0 3 321.387 2.026 20 30 DEEDHN CC(C)C[C@@H](CNCc1cncc(F)c1)NC(=O)C#CC1CC1 ZINC001667085913 1081209915 /nfs/dbraw/zinc/20/99/15/1081209915.db2.gz FHJBYHJGZLDNOH-KRWDZBQOSA-N 0 3 317.408 2.255 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001269344997 1081222303 /nfs/dbraw/zinc/22/23/03/1081222303.db2.gz ZQIADJCLLIAVSA-CQSZACIVSA-N 0 3 316.449 2.449 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001667252520 1081229799 /nfs/dbraw/zinc/22/97/99/1081229799.db2.gz ALOZPZYMOMYEJN-ZDUSSCGKSA-N 0 3 302.846 2.261 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CC)N[C@H](C)C(=O)N1CCCCC1 ZINC001269412456 1081242561 /nfs/dbraw/zinc/24/25/61/1081242561.db2.gz IHAUBTXDJOYTEK-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CC)N[C@H](C)C(=O)N1CCCCC1 ZINC001269412454 1081242659 /nfs/dbraw/zinc/24/26/59/1081242659.db2.gz IHAUBTXDJOYTEK-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](CC)NCc2cn(C)nc2C)cc1 ZINC001269448571 1081251605 /nfs/dbraw/zinc/25/16/05/1081251605.db2.gz MIUSLCFCGZXEMH-SFHVURJKSA-N 0 3 324.428 2.008 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1nn(C)c2ccccc21 ZINC001667652901 1081270983 /nfs/dbraw/zinc/27/09/83/1081270983.db2.gz YBTPTVPGDXHNJD-UHFFFAOYSA-N 0 3 300.406 2.153 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC001269544394 1081284968 /nfs/dbraw/zinc/28/49/68/1081284968.db2.gz 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C=CCCC(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)N(CC)CC)C1 ZINC001266744362 1082314542 /nfs/dbraw/zinc/31/45/42/1082314542.db2.gz XRQQONAOIRZXOL-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1c(C)oc(C)c1C ZINC001272060915 1082368832 /nfs/dbraw/zinc/36/88/32/1082368832.db2.gz NEBFRKLIJIGLPI-UHFFFAOYSA-N 0 3 308.422 2.411 20 30 DEEDHN COCC#CCNC1(CNC(=O)C(C2CCC2)C2CCC2)CC1 ZINC001670843290 1082411385 /nfs/dbraw/zinc/41/13/85/1082411385.db2.gz VYLVGMITXOTOMR-UHFFFAOYSA-N 0 3 318.461 2.091 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCc2nc(C)cs2)C1 ZINC001266893362 1082436156 /nfs/dbraw/zinc/43/61/56/1082436156.db2.gz ZZHJXXRQQBYAPD-GJZGRUSLSA-N 0 3 319.474 2.234 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCOCC(C)C ZINC001279543049 1082474555 /nfs/dbraw/zinc/47/45/55/1082474555.db2.gz UAJFKSBPNMJBOA-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc(Cl)cc1C ZINC001266967858 1082481868 /nfs/dbraw/zinc/48/18/68/1082481868.db2.gz KSCZTPXXZKBJHS-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1ccnc(N(C)C)c1 ZINC001266975245 1082485507 /nfs/dbraw/zinc/48/55/07/1082485507.db2.gz MVZSDAUHCNXMMS-AWEZNQCLSA-N 0 3 318.465 2.344 20 30 DEEDHN C=CCCC(=O)NC[C@H](O)CNCc1c(C)cccc1Cl ZINC001482713392 1082494071 /nfs/dbraw/zinc/49/40/71/1082494071.db2.gz MIBGVZYOYBNOFY-CYBMUJFWSA-N 0 3 310.825 2.181 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001482824113 1082518229 /nfs/dbraw/zinc/51/82/29/1082518229.db2.gz DNQXNFYJOKHWNB-MNOVXSKESA-N 0 3 303.244 2.426 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)Cc1cccnc1 ZINC001482919964 1082557061 /nfs/dbraw/zinc/55/70/61/1082557061.db2.gz HGTBDOWEWZUZCB-UHFFFAOYSA-N 0 3 322.412 2.134 20 30 DEEDHN CC[C@@H](F)C(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001482942845 1082571649 /nfs/dbraw/zinc/57/16/49/1082571649.db2.gz VMGFIVQTVBWFFI-CQSZACIVSA-N 0 3 309.360 2.384 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001482946758 1082575144 /nfs/dbraw/zinc/57/51/44/1082575144.db2.gz KUZUYWWCRNAQPF-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1cc(C)c(F)c(C)c1 ZINC001482968360 1082584663 /nfs/dbraw/zinc/58/46/63/1082584663.db2.gz IBGZYOXAGSGNQF-UHFFFAOYSA-N 0 3 320.408 2.144 20 30 DEEDHN CC#CCNCCN(CC)C(=O)COc1cc(C)cc(C)c1 ZINC001482967740 1082585120 /nfs/dbraw/zinc/58/51/20/1082585120.db2.gz XTZDOLDSTIJWSV-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN CC(C)(C)OCC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001482998476 1082616216 /nfs/dbraw/zinc/61/62/16/1082616216.db2.gz BINBEVBTFVMMQD-SNAWJCMRSA-N 0 3 315.417 2.135 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C\CNCc1csc(C)c1 ZINC001483001906 1082618035 /nfs/dbraw/zinc/61/80/35/1082618035.db2.gz HSFHASJFSRUKJY-KJPDOMRESA-N 0 3 308.447 2.146 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC/C=C\CNCc1cccc(Cl)c1 ZINC001483008689 1082621286 /nfs/dbraw/zinc/62/12/86/1082621286.db2.gz ZXIBSWUQBZUTCB-WSNITJDQSA-N 0 3 320.820 2.140 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001483193089 1082799538 /nfs/dbraw/zinc/79/95/38/1082799538.db2.gz QUHNNDXJXKODGP-CQSZACIVSA-N 0 3 313.376 2.222 20 30 DEEDHN Cc1csc(CNC[C@H]2CCC[C@@H]2NC(=O)C#CC2CC2)n1 ZINC001272259993 1082824199 /nfs/dbraw/zinc/82/41/99/1082824199.db2.gz FGEYKORLJYXOGC-CABCVRRESA-N 0 3 317.458 2.239 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001483327931 1083103652 /nfs/dbraw/zinc/10/36/52/1083103652.db2.gz MZYCIMYVEHTRJY-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccc(F)cc1)C1CC1)C1CC1 ZINC001276528418 1083480727 /nfs/dbraw/zinc/48/07/27/1083480727.db2.gz IEYLKRMEJSFLIA-QGZVFWFLSA-N 0 3 300.377 2.072 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCn2nc(C)cc2C)C(C)(C)C1 ZINC001276607779 1083512609 /nfs/dbraw/zinc/51/26/09/1083512609.db2.gz LSAKJXCQZLPGCM-MRXNPFEDSA-N 0 3 318.465 2.293 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](CNCc2cn(C)nc2C)C2CC2)C1 ZINC001276655504 1083535380 /nfs/dbraw/zinc/53/53/80/1083535380.db2.gz DFWPXMWPIMEACB-INIZCTEOSA-N 0 3 316.449 2.069 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001276962552 1083704844 /nfs/dbraw/zinc/70/48/44/1083704844.db2.gz SEAOCDVLRGEVPV-JYJNAYRXSA-N 0 3 314.433 2.216 20 30 DEEDHN C=CCCCCCN1CC[C@H]2C[C@]21C(=O)N1CC2(CC(O)C2)C1 ZINC001277150898 1083810933 /nfs/dbraw/zinc/81/09/33/1083810933.db2.gz AZOLIPINURYORL-HNAYVOBHSA-N 0 3 318.461 2.181 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)COC(C)(C)C)C1 ZINC001277284997 1083893258 /nfs/dbraw/zinc/89/32/58/1083893258.db2.gz MOSLSJHEESTSTG-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@]1(C)CN(CC2CCCC2)CCO1 ZINC001107934802 1083908759 /nfs/dbraw/zinc/90/87/59/1083908759.db2.gz MBOISSRIBVVHDK-IBGZPJMESA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](C)[C@H]2CCCO2)C1 ZINC001490947091 1083967437 /nfs/dbraw/zinc/96/74/37/1083967437.db2.gz LRSQLMIFHWGTTM-DOERSZECSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764944 1083976509 /nfs/dbraw/zinc/97/65/09/1083976509.db2.gz DNAWMRGILYQFJV-GOSISDBHSA-N 0 3 300.402 2.311 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272764944 1083976518 /nfs/dbraw/zinc/97/65/18/1083976518.db2.gz DNAWMRGILYQFJV-GOSISDBHSA-N 0 3 300.402 2.311 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CSC(C)C)C1 ZINC001490983147 1083986332 /nfs/dbraw/zinc/98/63/32/1083986332.db2.gz RLMADFJRFGMTOK-HOTGVXAUSA-N 0 3 308.491 2.464 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001490987693 1083990482 /nfs/dbraw/zinc/99/04/82/1083990482.db2.gz WMOALRXAEXUHOT-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001491013800 1084007126 /nfs/dbraw/zinc/00/71/26/1084007126.db2.gz ZSMQPNCNRPKWBF-FLTUCWPJSA-N 0 3 320.408 2.451 20 30 DEEDHN C[C@H](CCNCc1cc(O)ccc1Cl)NC(=O)C#CC1CC1 ZINC001272773701 1084009211 /nfs/dbraw/zinc/00/92/11/1084009211.db2.gz NPNDBLHWKILQFW-GFCCVEGCSA-N 0 3 320.820 2.443 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)/C=C(/C)CC)C1 ZINC001491012268 1084013519 /nfs/dbraw/zinc/01/35/19/1084013519.db2.gz JPQKBXBWKLJHKC-CBXUVWHLSA-N 0 3 301.228 2.488 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001495572350 1084048511 /nfs/dbraw/zinc/04/85/11/1084048511.db2.gz KRTJTUCMISUHNM-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3ccc(F)cn3)C2)C1=O ZINC001272801799 1084077553 /nfs/dbraw/zinc/07/75/53/1084077553.db2.gz ILRVOVUWTCLGSE-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN Cc1cccnc1N1CC[C@H]2CN(Cc3cc(C#N)n(C)c3)C[C@H]21 ZINC001277708249 1084105361 /nfs/dbraw/zinc/10/53/61/1084105361.db2.gz UVVLAXFVCUXBQD-FUHWJXTLSA-N 0 3 321.428 2.311 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccoc2)CC2(CCOCC2)C1 ZINC001089923411 1084123033 /nfs/dbraw/zinc/12/30/33/1084123033.db2.gz FFYJCUSYSRAQHC-INIZCTEOSA-N 0 3 318.417 2.457 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1cnc(C)s1)CC2 ZINC001272807863 1084137364 /nfs/dbraw/zinc/13/73/64/1084137364.db2.gz IADLHAJPBYSMQC-UHFFFAOYSA-N 0 3 317.458 2.289 20 30 DEEDHN Cc1nc(C)c(CN[C@@H](C)CN(C)C(=O)C#CC2CC2)s1 ZINC001277820386 1084161208 /nfs/dbraw/zinc/16/12/08/1084161208.db2.gz ZRLBJGLDLIYCEF-NSHDSACASA-N 0 3 305.447 2.110 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1cc(CO)ccc1F ZINC001277823383 1084162821 /nfs/dbraw/zinc/16/28/21/1084162821.db2.gz LWJZJWXZCUKMBE-INIZCTEOSA-N 0 3 320.408 2.365 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)COCCC=C ZINC001491281883 1084204946 /nfs/dbraw/zinc/20/49/46/1084204946.db2.gz LTMUAPRUVJJTQA-DLBZAZTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc[nH]c2C)CC2(CCOCC2)C1 ZINC001089931071 1084206833 /nfs/dbraw/zinc/20/68/33/1084206833.db2.gz RECMGVQRRFQZOO-OAHLLOKOSA-N 0 3 317.433 2.110 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CSC(C)C)C2)C1 ZINC001671028828 1084216713 /nfs/dbraw/zinc/21/67/13/1084216713.db2.gz PIFFIYWVZDIWDL-KRWDZBQOSA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCC2CCOCC2)C1 ZINC001491297343 1084217690 /nfs/dbraw/zinc/21/76/90/1084217690.db2.gz QRHCQEJPQIEBKC-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)COc2ccc(C)cc2)C1 ZINC001491299241 1084221507 /nfs/dbraw/zinc/22/15/07/1084221507.db2.gz FVGYHFWRLGHOCW-SJORKVTESA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2c(C)noc2Cl)C1 ZINC001491298557 1084222331 /nfs/dbraw/zinc/22/23/31/1084222331.db2.gz VXKHRRMYRCIXAO-WCQYABFASA-N 0 3 323.824 2.029 20 30 DEEDHN CC(C)OCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001671276226 1084225581 /nfs/dbraw/zinc/22/55/81/1084225581.db2.gz XQTOMTYNCMOYBC-SFHVURJKSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2)CC2(CCOCC2)C1 ZINC001089939840 1084236070 /nfs/dbraw/zinc/23/60/70/1084236070.db2.gz ZDLDYOAGHSQRPN-INIZCTEOSA-N 0 3 317.433 2.192 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@H](NC(=O)CC(C)C)C2)n1 ZINC001128076811 1084252893 /nfs/dbraw/zinc/25/28/93/1084252893.db2.gz MTACSUBGHCIGFO-INIZCTEOSA-N 0 3 316.449 2.098 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001272824074 1084269512 /nfs/dbraw/zinc/26/95/12/1084269512.db2.gz UHWIRYZBDSPVMK-LLVKDONJSA-N 0 3 310.829 2.148 20 30 DEEDHN C#CCCCCCC(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001277916488 1084275626 /nfs/dbraw/zinc/27/56/26/1084275626.db2.gz KIEDCPFCFSUUOO-KRWDZBQOSA-N 0 3 316.449 2.084 20 30 DEEDHN CCCSCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001491404852 1084283587 /nfs/dbraw/zinc/28/35/87/1084283587.db2.gz USZLNNGAYYHNTJ-GFCCVEGCSA-N 0 3 323.437 2.435 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)NC[C@@H](O)c1cc(F)ccc1F ZINC001491411444 1084288691 /nfs/dbraw/zinc/28/86/91/1084288691.db2.gz RXFOEHVCKJLJAZ-XHDPSFHLSA-N 0 3 312.360 2.059 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001491454090 1084326486 /nfs/dbraw/zinc/32/64/86/1084326486.db2.gz GHGFZJUOAWMBQX-NSHDSACASA-N 0 3 314.838 2.036 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCOCC)CCC1 ZINC001235226434 1084350674 /nfs/dbraw/zinc/35/06/74/1084350674.db2.gz QFGQITRROAFEIJ-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(O)c1 ZINC001272900580 1084449804 /nfs/dbraw/zinc/44/98/04/1084449804.db2.gz VEHBOYREKHCATC-IAGOWNOFSA-N 0 3 313.401 2.261 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OCC)cc1 ZINC001272918291 1084476069 /nfs/dbraw/zinc/47/60/69/1084476069.db2.gz GNPDVQGUKGYHSK-QZTJIDSGSA-N 0 3 312.413 2.284 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001078025925 1084493041 /nfs/dbraw/zinc/49/30/41/1084493041.db2.gz BSEYSPWZEMYACP-CGTJXYLNSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCOCC(=O)NCCCN(C)Cc1cc(F)cc(F)c1 ZINC001235698998 1084507293 /nfs/dbraw/zinc/50/72/93/1084507293.db2.gz RUKNEFFEYHWXOJ-UHFFFAOYSA-N 0 3 312.360 2.106 20 30 DEEDHN CCCC(=O)N1CCCO[C@@H](CNCc2ccc(C#N)s2)C1 ZINC001078317696 1084642566 /nfs/dbraw/zinc/64/25/66/1084642566.db2.gz YWHUSQBSEGEJBO-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C2CC2)C12CCC2 ZINC001078525627 1084719669 /nfs/dbraw/zinc/71/96/69/1084719669.db2.gz CEJUQQSHLBOVLS-NWDGAFQWSA-N 0 3 313.239 2.322 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCOCC2)C12CCC2 ZINC001078529825 1084725715 /nfs/dbraw/zinc/72/57/15/1084725715.db2.gz WNLYYCSYJUJTLD-UONOGXRCSA-N 0 3 312.841 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2=COCCC2)C12CCC2 ZINC001078569633 1084751317 /nfs/dbraw/zinc/75/13/17/1084751317.db2.gz UIJVVBWPBCRXJB-UONOGXRCSA-N 0 3 310.825 2.450 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)CCCOc1ccccc1 ZINC001485951214 1084998255 /nfs/dbraw/zinc/99/82/55/1084998255.db2.gz HPVONDVAHCMINB-MRXNPFEDSA-N 0 3 302.418 2.305 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)N[C@H]1CCCc2ccccc21 ZINC001486024849 1085030729 /nfs/dbraw/zinc/03/07/29/1085030729.db2.gz URIPBTKMCFJRJD-WBVHZDCISA-N 0 3 316.445 2.343 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@H]1C ZINC001486096044 1085056671 /nfs/dbraw/zinc/05/66/71/1085056671.db2.gz OMYWAYVGZUJPDN-UKRRQHHQSA-N 0 3 323.462 2.123 20 30 DEEDHN CC(C)OCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001486107390 1085067466 /nfs/dbraw/zinc/06/74/66/1085067466.db2.gz OVIFRWUKMYHZCO-WMZOPIPTSA-N 0 3 314.429 2.042 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccccc2OC)C1 ZINC001486127444 1085094079 /nfs/dbraw/zinc/09/40/79/1085094079.db2.gz IGFMOBWJOCJADR-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2[nH]ccc2C)[C@H]1C ZINC001486171536 1085104739 /nfs/dbraw/zinc/10/47/39/1085104739.db2.gz UZRLFBIUEMKKBT-HUUCEWRRSA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cc(C)on1 ZINC000960256120 1085168480 /nfs/dbraw/zinc/16/84/80/1085168480.db2.gz VHFFNQAICRQSLS-SJLPKXTDSA-N 0 3 311.385 2.083 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC[C@@H](C)O)C1 ZINC000960307224 1085189874 /nfs/dbraw/zinc/18/98/74/1085189874.db2.gz OTIGRKFZALSGQA-KBRIMQKVSA-N 0 3 314.429 2.095 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)o2)CC1 ZINC001486434175 1085307640 /nfs/dbraw/zinc/30/76/40/1085307640.db2.gz GOZAKBFWUKUAQM-OAHLLOKOSA-N 0 3 318.417 2.068 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960494017 1085312904 /nfs/dbraw/zinc/31/29/04/1085312904.db2.gz LKYQXZIRQNPAGR-YOEHRIQHSA-N 0 3 310.401 2.141 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCCOC)C1 ZINC001486452229 1085332354 /nfs/dbraw/zinc/33/23/54/1085332354.db2.gz GQXPLXYUDIQVTC-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCOCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001486458225 1085339717 /nfs/dbraw/zinc/33/97/17/1085339717.db2.gz VKOJCEXOZDVRJD-UHFFFAOYSA-N 0 3 306.381 2.107 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)CC(C)(C)C)CC2)CC1 ZINC001486486747 1085374567 /nfs/dbraw/zinc/37/45/67/1085374567.db2.gz YWKLIPZWJUFNTB-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN CN(C[C@H]1CC(C)(C)CO1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615237 1085384701 /nfs/dbraw/zinc/38/47/01/1085384701.db2.gz VNRJYXBFKQAJQE-DLBZAZTESA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@]2(C)CCOC2)c(F)c1 ZINC001486525506 1085408132 /nfs/dbraw/zinc/40/81/32/1085408132.db2.gz MRISKOFJYHMJKD-QGZVFWFLSA-N 0 3 306.381 2.144 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001128252069 1085642034 /nfs/dbraw/zinc/64/20/34/1085642034.db2.gz DMBLJIVQBDTMDC-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cn(CC)cn1)C2 ZINC000965850207 1085660374 /nfs/dbraw/zinc/66/03/74/1085660374.db2.gz LRWGTRVETUGZJJ-UHFFFAOYSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)N(C(=O)CC)CC2 ZINC001649118878 1085733020 /nfs/dbraw/zinc/73/30/20/1085733020.db2.gz JXWVCVPPJKDGQS-ZDUSSCGKSA-N 0 3 321.808 2.394 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc3ccn(C)c3c2)C1=O ZINC001273011466 1085944414 /nfs/dbraw/zinc/94/44/14/1085944414.db2.gz BYVIOSXVTMEKMZ-HXUWFJFHSA-N 0 3 321.424 2.378 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cc(C)c(C)o3)CC2)C1=O ZINC001273012837 1085953932 /nfs/dbraw/zinc/95/39/32/1085953932.db2.gz WKTQZEFSJUYJOR-UHFFFAOYSA-N 0 3 300.402 2.344 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1noc2c1C[C@@H](C)CC2 ZINC000962179138 1085996928 /nfs/dbraw/zinc/99/69/28/1085996928.db2.gz OVYNJGORNNGRJM-YYWXWVFPSA-N 0 3 315.417 2.036 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(C(F)(F)F)n1 ZINC000962187769 1086005897 /nfs/dbraw/zinc/00/58/97/1086005897.db2.gz APSVYMQEEVBAGJ-MBTKJCJQSA-N 0 3 317.336 2.008 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2ccc(F)cc2c1 ZINC000962197084 1086010979 /nfs/dbraw/zinc/01/09/79/1086010979.db2.gz ZXNCNTAGBLIMKK-QLPKVWCKSA-N 0 3 311.360 2.220 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccncc1[O-] ZINC001273080169 1086150086 /nfs/dbraw/zinc/15/00/86/1086150086.db2.gz MYYMUMFTYVKJPX-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccncc1[O-] ZINC001273080169 1086150093 /nfs/dbraw/zinc/15/00/93/1086150093.db2.gz MYYMUMFTYVKJPX-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1[nH]nc2ccc(C)cc21 ZINC001273108005 1086212554 /nfs/dbraw/zinc/21/25/54/1086212554.db2.gz YZAYNCOKOHBTJF-QZTJIDSGSA-N 0 3 322.412 2.070 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2csc(C3CC3)n2)C1 ZINC001033703358 1086349559 /nfs/dbraw/zinc/34/95/59/1086349559.db2.gz YJURSNFCDJBOPE-CYBMUJFWSA-N 0 3 303.431 2.190 20 30 DEEDHN CC#CCCCC(=O)NC[C@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001108142305 1086510574 /nfs/dbraw/zinc/51/05/74/1086510574.db2.gz PXTCPYGIGFNZOK-FUHWJXTLSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc(C)ncn1)C2 ZINC000963695001 1086539425 /nfs/dbraw/zinc/53/94/25/1086539425.db2.gz JRQCVTKGTHXBMQ-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2ccc(Cl)nc2)CCC1 ZINC001129121227 1086597065 /nfs/dbraw/zinc/59/70/65/1086597065.db2.gz PGCORBUHXXQULH-UHFFFAOYSA-N 0 3 305.809 2.134 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC#N)C1 ZINC000458734076 1086833693 /nfs/dbraw/zinc/83/36/93/1086833693.db2.gz YDAORRBAKLBNMS-HNNXBMFYSA-N 0 3 300.406 2.064 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3nc4ccccn4c3C)C2)C1=O ZINC001273174315 1087179196 /nfs/dbraw/zinc/17/91/96/1087179196.db2.gz PLTWGURBQJNQRS-LJQANCHMSA-N 0 3 324.428 2.253 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129289200 1087280308 /nfs/dbraw/zinc/28/03/08/1087280308.db2.gz SCULBJCDMDVQAW-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CN(CC)CC)CCC1 ZINC001063895321 1087502084 /nfs/dbraw/zinc/50/20/84/1087502084.db2.gz TZILOJWECDQLPW-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CCC)s2)[C@H](O)C1 ZINC001090299797 1087645432 /nfs/dbraw/zinc/64/54/32/1087645432.db2.gz GYUGOLHBKVNQEF-LSDHHAIUSA-N 0 3 322.474 2.442 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccco3)[C@@H]3COC[C@@H]32)CC1 ZINC001079218853 1087778385 /nfs/dbraw/zinc/77/83/85/1087778385.db2.gz IBZOCDYOWXJWBS-LSDHHAIUSA-N 0 3 316.401 2.019 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001079695568 1088331303 /nfs/dbraw/zinc/33/13/03/1088331303.db2.gz CRRIPVOSJVFGNM-UKRRQHHQSA-N 0 3 304.438 2.234 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC001079875170 1088464379 /nfs/dbraw/zinc/46/43/79/1088464379.db2.gz ZDQCOEQNLUAFEI-UKRRQHHQSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001080009656 1088564070 /nfs/dbraw/zinc/56/40/70/1088564070.db2.gz MSPFWNILLQYJHR-JKIFEVAISA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccccc2CCC)C1 ZINC000958242488 1088878471 /nfs/dbraw/zinc/87/84/71/1088878471.db2.gz CRXQRIRIRQIIJB-AEFFLSMTSA-N 0 3 316.445 2.238 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCOC3CCC3)C[C@H]2C)C1 ZINC001080405352 1088914793 /nfs/dbraw/zinc/91/47/93/1088914793.db2.gz AWIWKINAXVNQLQ-GDBMZVCRSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@H](O)C1 ZINC000958416840 1088976853 /nfs/dbraw/zinc/97/68/53/1088976853.db2.gz CICNQFAOSZQPNA-CZUORRHYSA-N 0 3 322.836 2.247 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001080541458 1089037873 /nfs/dbraw/zinc/03/78/73/1089037873.db2.gz UMTAQUODKDQXRY-HUUCEWRRSA-N 0 3 304.438 2.019 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001080860099 1089212063 /nfs/dbraw/zinc/21/20/63/1089212063.db2.gz WIERCVJEHFONTR-CZUORRHYSA-N 0 3 315.417 2.033 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1c1ccccc1 ZINC001081101081 1089352298 /nfs/dbraw/zinc/35/22/98/1089352298.db2.gz JRSOXILPNCYVRM-FUHWJXTLSA-N 0 3 323.371 2.052 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccc(C)o2)C[C@H]1c1ccccc1 ZINC001081108786 1089355243 /nfs/dbraw/zinc/35/52/43/1089355243.db2.gz HVFQROHXIYEAAW-RBUKOAKNSA-N 0 3 322.408 2.348 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@H]1c1ccccc1 ZINC001081107960 1089355698 /nfs/dbraw/zinc/35/56/98/1089355698.db2.gz MUGCMXPJGDTRAT-NZSAHSFTSA-N 0 3 321.424 2.267 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(C)coc2C)[C@H](OC)C1 ZINC001081622603 1089429602 /nfs/dbraw/zinc/42/96/02/1089429602.db2.gz WWGLBEOZJSGWSX-HUUCEWRRSA-N 0 3 306.406 2.292 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H](OC)C1 ZINC001081784123 1089452295 /nfs/dbraw/zinc/45/22/95/1089452295.db2.gz FYSHJBZFJSAUHD-HZPDHXFCSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)[C@H](OC)C1 ZINC001082015266 1089655301 /nfs/dbraw/zinc/65/53/01/1089655301.db2.gz LKSBGMLCFLBLHV-HZPDHXFCSA-N 0 3 320.408 2.448 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@H](OC)C1 ZINC001082124880 1089725431 /nfs/dbraw/zinc/72/54/31/1089725431.db2.gz ACKFGAYLHQPYFY-BFHYXJOUSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc(OC)c2C)[C@H](OC)C1 ZINC001082179585 1089760513 /nfs/dbraw/zinc/76/05/13/1089760513.db2.gz CCALXOAGNNRWLO-NVXWUHKLSA-N 0 3 318.417 2.009 20 30 DEEDHN Cc1nsc(C)c1CNC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC000959924897 1089852393 /nfs/dbraw/zinc/85/23/93/1089852393.db2.gz LOCOIZWXWORKCK-FZMZJTMJSA-N 0 3 320.462 2.390 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@H](O)C1 ZINC001090393158 1090130675 /nfs/dbraw/zinc/13/06/75/1090130675.db2.gz GORMAVHVCONUKF-DLBZAZTESA-N 0 3 320.408 2.129 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C3CCCCC3)[C@H]2C1 ZINC001082985117 1090133306 /nfs/dbraw/zinc/13/33/06/1090133306.db2.gz MJYUZEVGKYRQPQ-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@@H]3C=CCCC3)[C@H]2C1 ZINC001083118339 1090154065 /nfs/dbraw/zinc/15/40/65/1090154065.db2.gz CJTHMRXNAGQTDU-IXDOHACOSA-N 0 3 304.434 2.221 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001083981051 1090183395 /nfs/dbraw/zinc/18/33/95/1090183395.db2.gz JJUSJUCZJZTNPE-CABCVRRESA-N 0 3 308.809 2.081 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001084105338 1090201326 /nfs/dbraw/zinc/20/13/26/1090201326.db2.gz ADLOBPBTACDDIX-SOLBZPMBSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)[C@@H](O)C1 ZINC001084126671 1090202786 /nfs/dbraw/zinc/20/27/86/1090202786.db2.gz FAIWFLRLWPZERO-XHSDSOJGSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)nnc3CC)[C@@H]2C1 ZINC001084464204 1090296940 /nfs/dbraw/zinc/29/69/40/1090296940.db2.gz ZTVLVGYATNMBBJ-RHSMWYFYSA-N 0 3 314.433 2.070 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001084577942 1090334313 /nfs/dbraw/zinc/33/43/13/1090334313.db2.gz BFZQBSBHCQHEPI-OWCLPIDISA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084628554 1090355763 /nfs/dbraw/zinc/35/57/63/1090355763.db2.gz MYFBYYQTVVMPRV-RTBURBONSA-N 0 3 310.441 2.402 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCCCO3)[C@@H]2C1 ZINC001084692788 1090395130 /nfs/dbraw/zinc/39/51/30/1090395130.db2.gz ACVJSSNFIDWTSA-BRWVUGGUSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccco3)[C@@H]2C1 ZINC001084715611 1090408816 /nfs/dbraw/zinc/40/88/16/1090408816.db2.gz ODHLLVQILDTVOK-BFYDXBDKSA-N 0 3 300.402 2.014 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001084720806 1090411925 /nfs/dbraw/zinc/41/19/25/1090411925.db2.gz KWCFRULFSDTEGN-IUODEOHRSA-N 0 3 305.809 2.457 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCCOC3)[C@@H]2C1 ZINC001084746947 1090420807 /nfs/dbraw/zinc/42/08/07/1090420807.db2.gz UCZIILUKNPJVSZ-BRWVUGGUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)onc3CC)[C@@H]2C1 ZINC001084826435 1090463910 /nfs/dbraw/zinc/46/39/10/1090463910.db2.gz CBIUSTXLLJGNCE-UKRRQHHQSA-N 0 3 303.406 2.268 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001085146596 1090673889 /nfs/dbraw/zinc/67/38/89/1090673889.db2.gz SZIUWDIRJQFNOT-MGPQQGTHSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001065972917 1090938867 /nfs/dbraw/zinc/93/88/67/1090938867.db2.gz ZIBFXFPKJDOXKJ-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)C=C3CCC3)C2)CC1 ZINC001273374092 1091109464 /nfs/dbraw/zinc/10/94/64/1091109464.db2.gz HHTGIGICFLITOP-SFHVURJKSA-N 0 3 317.477 2.281 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001273375752 1091110562 /nfs/dbraw/zinc/11/05/62/1091110562.db2.gz SOPDKVFQZYQRAP-KMDWOBIYSA-N 0 3 319.493 2.383 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc4[nH]cnc43)CC2)C1=O ZINC001273380605 1091116992 /nfs/dbraw/zinc/11/69/92/1091116992.db2.gz KNOKBJYXPMYHCI-UHFFFAOYSA-N 0 3 322.412 2.011 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cc(OC)ccn3)C2)C1=O ZINC001274251343 1091152405 /nfs/dbraw/zinc/15/24/05/1091152405.db2.gz PZTLOJYYPDCRFM-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN CC[C@H](C)N1CC[C@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001274279265 1091163788 /nfs/dbraw/zinc/16/37/88/1091163788.db2.gz FFVNJGDVLFYBRJ-KSSFIOAISA-N 0 3 312.417 2.176 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)C1CCC(F)CC1 ZINC001320041187 1091220174 /nfs/dbraw/zinc/22/01/74/1091220174.db2.gz AFDPAROGOGQUGE-UHFFFAOYSA-N 0 3 300.418 2.108 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COC2CCCC2)C(C)(C)C1 ZINC001274417964 1091232268 /nfs/dbraw/zinc/23/22/68/1091232268.db2.gz ZXAHEKNXLMIBRI-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(F)c(C)c(F)c3)C2)C1=O ZINC001274557228 1091298421 /nfs/dbraw/zinc/29/84/21/1091298421.db2.gz LXSOMHQROVXFEK-GOSISDBHSA-N 0 3 318.367 2.331 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)C[C@@H](C=C)CC)C2)CC1 ZINC001280693719 1091311943 /nfs/dbraw/zinc/31/19/43/1091311943.db2.gz UUQZRFSXHGSOPF-ZWKOTPCHSA-N 0 3 319.493 2.383 20 30 DEEDHN O=C(CC#Cc1ccccc1)NC/C=C/CNC/C=C\Cl ZINC001274599954 1091318958 /nfs/dbraw/zinc/31/89/58/1091318958.db2.gz MFSFFOATIFKESI-MDFVMQOBSA-N 0 3 302.805 2.443 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccccc1NC ZINC001274664016 1091358922 /nfs/dbraw/zinc/35/89/22/1091358922.db2.gz IVZHKNSDCPPMTN-LJQANCHMSA-N 0 3 311.429 2.319 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)C2CC=CC2)CC1 ZINC001274872704 1091454328 /nfs/dbraw/zinc/45/43/28/1091454328.db2.gz RBZMDAXEQPDBMV-UHFFFAOYSA-N 0 3 305.466 2.043 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2oc(CC)nc2C)C1 ZINC001493187553 1091456116 /nfs/dbraw/zinc/45/61/16/1091456116.db2.gz QWQHIWPYJSHDEL-CQSZACIVSA-N 0 3 305.422 2.450 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCCN1CCOc1ccccc1 ZINC001493096022 1091474788 /nfs/dbraw/zinc/47/47/88/1091474788.db2.gz BGCZQPBMQKUFQD-QGZVFWFLSA-N 0 3 314.429 2.450 20 30 DEEDHN C=CCCCCN1CC2(C1)CN(C(=O)NCC(F)(F)F)C2 ZINC001274978462 1091502238 /nfs/dbraw/zinc/50/22/38/1091502238.db2.gz HPKZKSDHRDQLII-UHFFFAOYSA-N 0 3 305.344 2.232 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001275024601 1091518837 /nfs/dbraw/zinc/51/88/37/1091518837.db2.gz JXPQJUCSRDUMLH-HNNXBMFYSA-N 0 3 304.438 2.247 20 30 DEEDHN C#CCNC[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC001275048797 1091529657 /nfs/dbraw/zinc/52/96/57/1091529657.db2.gz XRYZHZZCELPOOU-AWEZNQCLSA-N 0 3 324.380 2.011 20 30 DEEDHN CCCSCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001275086008 1091549850 /nfs/dbraw/zinc/54/98/50/1091549850.db2.gz XYHOCQYLNMKFGF-LBPRGKRZSA-N 0 3 323.437 2.435 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1[nH]cnc1C(C)(C)C ZINC001275108929 1091562536 /nfs/dbraw/zinc/56/25/36/1091562536.db2.gz QSWHESDHQIUYQI-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c1 ZINC001275290365 1091653509 /nfs/dbraw/zinc/65/35/09/1091653509.db2.gz IMUBFWKIUMTGRQ-ROUUACIJSA-N 0 3 307.401 2.130 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C1CCCCC1 ZINC001275368248 1091695421 /nfs/dbraw/zinc/69/54/21/1091695421.db2.gz WQWZJTSEKCZWEN-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN Cc1cc(CN[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)sn1 ZINC001490822320 1091763618 /nfs/dbraw/zinc/76/36/18/1091763618.db2.gz AKWLHHYDIMGHIT-ZDUSSCGKSA-N 0 3 305.447 2.192 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2C[C@H](C)C(F)(F)F ZINC001273444547 1091767042 /nfs/dbraw/zinc/76/70/42/1091767042.db2.gz AJOANKLIDFRXJH-GXTWGEPZSA-N 0 3 302.340 2.275 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC[C@H]3CCCCO3)C[C@]2(C)C1 ZINC001092062962 1091780991 /nfs/dbraw/zinc/78/09/91/1091780991.db2.gz DYCOMJUGMSSCBP-LMMKCTJWSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C(C)C)CCC1 ZINC001275479678 1091786797 /nfs/dbraw/zinc/78/67/97/1091786797.db2.gz CBXHRHWFZKJVDH-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN Cc1ccc(CN(C)C[C@H](C)NC(=O)CSCC#N)cc1 ZINC001275504509 1091811578 /nfs/dbraw/zinc/81/15/78/1091811578.db2.gz BODHBUGRDFQVHC-AWEZNQCLSA-N 0 3 305.447 2.188 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001441493781 1091816436 /nfs/dbraw/zinc/81/64/36/1091816436.db2.gz HFEKTOMEHFJYKD-MNOVXSKESA-N 0 3 311.476 2.308 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1cc(C)sc1C ZINC001275558014 1091859384 /nfs/dbraw/zinc/85/93/84/1091859384.db2.gz ANJGJRXHFRDVLE-JSGCOSHPSA-N 0 3 322.474 2.340 20 30 DEEDHN C#CCCCN1CCC[C@@]12CCN(CC(=O)C(C)(C)C)C2=O ZINC001273538466 1091910709 /nfs/dbraw/zinc/91/07/09/1091910709.db2.gz WSVAVACAOIXDOE-SFHVURJKSA-N 0 3 304.434 2.082 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3cnccc3n2)CC1 ZINC000948809889 1091948887 /nfs/dbraw/zinc/94/88/87/1091948887.db2.gz VVWHFRHMDIEGHO-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2cc[nH]c2n1 ZINC001273632315 1091966563 /nfs/dbraw/zinc/96/65/63/1091966563.db2.gz QCLLKXNRDYKYAN-HZPDHXFCSA-N 0 3 310.401 2.314 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C(CC)CC)CCO2 ZINC000949035342 1092034667 /nfs/dbraw/zinc/03/46/67/1092034667.db2.gz VBAIJOUDOFGVFL-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001275720477 1092038518 /nfs/dbraw/zinc/03/85/18/1092038518.db2.gz GWNUKHJBGNWPCS-PBHICJAKSA-N 0 3 302.418 2.229 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc(C)c(C)o1)CCO2 ZINC000949072463 1092043714 /nfs/dbraw/zinc/04/37/14/1092043714.db2.gz UULMRIXZIZWAKD-UHFFFAOYSA-N 0 3 318.417 2.389 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(C)c(Cl)cn3)C2)C1=O ZINC001273780269 1092044265 /nfs/dbraw/zinc/04/42/65/1092044265.db2.gz VDFBPASHESLSFL-QGZVFWFLSA-N 0 3 317.820 2.101 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000949267148 1092085558 /nfs/dbraw/zinc/08/55/58/1092085558.db2.gz QBXQRCOWVJYRIP-UHFFFAOYSA-N 0 3 304.390 2.163 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)COCc2ccc(C)cc2)CC1 ZINC001280747509 1092162738 /nfs/dbraw/zinc/16/27/38/1092162738.db2.gz QYPUEPCGIGUKLE-GOSISDBHSA-N 0 3 314.429 2.116 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1CC ZINC001275828091 1092192488 /nfs/dbraw/zinc/19/24/88/1092192488.db2.gz SFAMXRBGBNJMAL-JKSUJKDBSA-N 0 3 316.445 2.224 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)CCc1cnn(CC)c1 ZINC001275898163 1092282456 /nfs/dbraw/zinc/28/24/56/1092282456.db2.gz ZZEOQMQCCZFICG-OAHLLOKOSA-N 0 3 320.481 2.484 20 30 DEEDHN Cn1cc(CN2C[C@@H]3CCN(Cc4ccoc4)[C@@H]3C2)cc1C#N ZINC001275943456 1092358978 /nfs/dbraw/zinc/35/89/78/1092358978.db2.gz IAYJSKIZNHOIGX-FUHWJXTLSA-N 0 3 310.401 2.196 20 30 DEEDHN N#Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001275969018 1092400221 /nfs/dbraw/zinc/40/02/21/1092400221.db2.gz WWNFLDNWBNHYOR-KDURUIRLSA-N 0 3 321.428 2.104 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C\CNCc1ccc(F)c(Cl)c1 ZINC001273912251 1092504823 /nfs/dbraw/zinc/50/48/23/1092504823.db2.gz XDYBREUMXRVWNI-OTDNITJGSA-N 0 3 309.772 2.401 20 30 DEEDHN C[C@@H](C#N)C(=O)NC/C=C/CNCc1ccc(F)c(Cl)c1 ZINC001273912260 1092505078 /nfs/dbraw/zinc/50/50/78/1092505078.db2.gz XDYBREUMXRVWNI-VUDBWIFFSA-N 0 3 309.772 2.401 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001273935675 1092523663 /nfs/dbraw/zinc/52/36/63/1092523663.db2.gz HKBOTTKURWAAOJ-AEFFLSMTSA-N 0 3 308.466 2.025 20 30 DEEDHN C=C(C)CN1C(=O)C[C@]2(CCCN(CC(=O)C(C)(C)C)C2)C1=O ZINC001273948300 1092533264 /nfs/dbraw/zinc/53/32/64/1092533264.db2.gz OZWQAFUYVGNMNM-SFHVURJKSA-N 0 3 320.433 2.019 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NC(=O)CN(CC)CC)C1 ZINC001488595386 1092635466 /nfs/dbraw/zinc/63/54/66/1092635466.db2.gz RNWNQYCLCDUOCI-JMLCCBQJSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CN(C)c2ccccc2)C1 ZINC001488805388 1092757127 /nfs/dbraw/zinc/75/71/27/1092757127.db2.gz MUFWXEYMGCPRRT-GASCZTMLSA-N 0 3 321.852 2.360 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCCCCNCc1nccn1C ZINC001489097879 1092912135 /nfs/dbraw/zinc/91/21/35/1092912135.db2.gz JPCVAQFIZNMJSO-UHFFFAOYSA-N 0 3 318.465 2.188 20 30 DEEDHN C=CCOCC(=O)N1CCCCC[C@@H](NCc2cnoc2C)C1 ZINC001489225774 1092995694 /nfs/dbraw/zinc/99/56/94/1092995694.db2.gz RQOYDKJQEZGIIH-MRXNPFEDSA-N 0 3 321.421 2.046 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)CCC1CCCCC1 ZINC001490276492 1093271633 /nfs/dbraw/zinc/27/16/33/1093271633.db2.gz WIFXSHIKFLJOOT-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN C=CCOCCCC(=O)N[C@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC001490434932 1093380779 /nfs/dbraw/zinc/38/07/79/1093380779.db2.gz VXBKFCLTHXMHBS-IRXDYDNUSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(C(F)F)CCCC2)CC1 ZINC001490598699 1093437143 /nfs/dbraw/zinc/43/71/43/1093437143.db2.gz CTHKXKCQTSIMPV-ZDUSSCGKSA-N 0 3 310.388 2.416 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001273992324 1093724607 /nfs/dbraw/zinc/72/46/07/1093724607.db2.gz YMQCIPCYPZBEDJ-NSCUHMNNSA-N 0 3 308.385 2.271 20 30 DEEDHN N#CC(C(=O)C[C@H]1COC(=O)C1)c1nccn1Cc1ccccc1 ZINC001649168867 1093736376 /nfs/dbraw/zinc/73/63/76/1093736376.db2.gz YMLDYEHJIMEZST-HUUCEWRRSA-N 0 3 323.352 2.061 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cc(F)c(F)cc3N)C2)C1=O ZINC001274167479 1093831386 /nfs/dbraw/zinc/83/13/86/1093831386.db2.gz FHHCVZVYLCNYAD-KRWDZBQOSA-N 0 3 321.371 2.157 20 30 DEEDHN N#CCCCN1CC[C@]2(CCCN2Cc2cccc(N)c2)C1=O ZINC001274205078 1093849686 /nfs/dbraw/zinc/84/96/86/1093849686.db2.gz FSSVDHJWSBRIKB-GOSISDBHSA-N 0 3 312.417 2.139 20 30 DEEDHN Cc1ncc(CN[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C)s1 ZINC001274199752 1093849862 /nfs/dbraw/zinc/84/98/62/1093849862.db2.gz VPIGTYQTYLCHSE-WFASDCNBSA-N 0 3 319.474 2.438 20 30 DEEDHN C#CC[C@@H](CC)c1nnc(N2CCN(CC3CC3)CC2)n1CC ZINC001352226450 1151705268 /nfs/dbraw/zinc/70/52/68/1151705268.db2.gz NANMCDZSOQTPLX-MRXNPFEDSA-N 0 3 315.465 2.347 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCN(CC)C(=O)[C@H]1CCCN1C ZINC001352282458 1151710376 /nfs/dbraw/zinc/71/03/76/1151710376.db2.gz BTCFYUABBMMSAH-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H](CN1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1)c1ccccc1 ZINC001277986037 1138379108 /nfs/dbraw/zinc/37/91/08/1138379108.db2.gz QLRWJDUYUJRYEU-QAPCUYQASA-N 0 3 323.440 2.484 20 30 DEEDHN C#CCCCC(=O)NC1(C)CCN(CCOCC2CC2)CC1 ZINC001278046991 1138493596 /nfs/dbraw/zinc/49/35/96/1138493596.db2.gz ZULTVZWKXCESQI-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)CCCC(C)C)C2)CC1 ZINC001278101937 1138645026 /nfs/dbraw/zinc/64/50/26/1138645026.db2.gz LNRSNMJKSOTYQG-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cncn1CC)C2 ZINC001237589942 1138700536 /nfs/dbraw/zinc/70/05/36/1138700536.db2.gz UUCSSIZDCKMIOG-ZWKOTPCHSA-N 0 3 319.449 2.477 20 30 DEEDHN CO[C@H]1CCC[C@@H]2CN(Cc3cn4cc(C#N)ccc4n3)C[C@@H]21 ZINC001237616069 1138717626 /nfs/dbraw/zinc/71/76/26/1138717626.db2.gz YYMAIEYHXNIURW-PVAVHDDUSA-N 0 3 310.401 2.453 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)CSC)C1CCN(CC(=C)C)CC1 ZINC001278128055 1138740694 /nfs/dbraw/zinc/74/06/94/1138740694.db2.gz GXXIXRATTZQZFA-HNNXBMFYSA-N 0 3 308.491 2.488 20 30 DEEDHN C#CCN(C(=O)c1cocn1)C1CCN(CC=C(C)C)CC1 ZINC001278128380 1138742725 /nfs/dbraw/zinc/74/27/25/1138742725.db2.gz MNBWXPIDRIQNBA-UHFFFAOYSA-N 0 3 301.390 2.181 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cncnc1C)CC2 ZINC001238167269 1138830326 /nfs/dbraw/zinc/83/03/26/1138830326.db2.gz WDUNBSAFBNOIPN-SFHVURJKSA-N 0 3 314.433 2.318 20 30 DEEDHN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)c(OC)c2)C1 ZINC001238409936 1138844146 /nfs/dbraw/zinc/84/41/46/1138844146.db2.gz SFHSAGATCGXTDA-IUODEOHRSA-N 0 3 302.374 2.198 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC=CC1 ZINC001278239772 1138852121 /nfs/dbraw/zinc/85/21/21/1138852121.db2.gz XUKZUGXSIGKPGS-LVFSCSRESA-N 0 3 321.424 2.461 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001293778677 1139037552 /nfs/dbraw/zinc/03/75/52/1139037552.db2.gz XKBKEGXVGAYEHX-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cc(CNC23CC(C(=O)NC4(C#N)CCC4)(C2)C3)oc1C ZINC001278320045 1139619332 /nfs/dbraw/zinc/61/93/32/1139619332.db2.gz WOIBEMTXRXVGJL-UHFFFAOYSA-N 0 3 313.401 2.471 20 30 DEEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)CCCC(C)C)CC2)C1 ZINC001278350378 1140009956 /nfs/dbraw/zinc/00/99/56/1140009956.db2.gz VGQKNBJDFLARJR-GOSISDBHSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H](CC)CCC)CC2)C1 ZINC001278350476 1140010745 /nfs/dbraw/zinc/01/07/45/1140010745.db2.gz XIQXWGXOUDGOSE-DLBZAZTESA-N 0 3 307.482 2.217 20 30 DEEDHN CCCOCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001278354406 1140046272 /nfs/dbraw/zinc/04/62/72/1140046272.db2.gz BQLFRYRBJPTGKE-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001318478783 1140344401 /nfs/dbraw/zinc/34/44/01/1140344401.db2.gz MWQLZZWWOHDZEX-INIZCTEOSA-N 0 3 317.433 2.219 20 30 DEEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001319451504 1140580782 /nfs/dbraw/zinc/58/07/82/1140580782.db2.gz GHUOBOSOCUWALN-GFCCVEGCSA-N 0 3 307.463 2.500 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COC/C=C/c2ccccc2)C1 ZINC001278406118 1140640507 /nfs/dbraw/zinc/64/05/07/1140640507.db2.gz SFGNSDVWUKLPAS-QPGLYAHGSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COC/C=C/c2ccccc2)C1 ZINC001278406119 1140643589 /nfs/dbraw/zinc/64/35/89/1140643589.db2.gz SFGNSDVWUKLPAS-VQFGERMISA-N 0 3 314.429 2.483 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001320018508 1140812649 /nfs/dbraw/zinc/81/26/49/1140812649.db2.gz JOHQVKVNLRVTLE-UHFFFAOYSA-N 0 3 315.417 2.151 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001320072299 1140818254 /nfs/dbraw/zinc/81/82/54/1140818254.db2.gz GTHHUDBLPOFYEC-UHFFFAOYSA-N 0 3 317.414 2.430 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)COc1cccc(CC)c1 ZINC001320081106 1140819115 /nfs/dbraw/zinc/81/91/15/1140819115.db2.gz UXZNNQFJGIQOJB-UHFFFAOYSA-N 0 3 302.418 2.041 20 30 DEEDHN C[C@@H]1CN(CCCCNc2cccc(CC#N)n2)C[C@H](C)O1 ZINC001320359644 1140854844 /nfs/dbraw/zinc/85/48/44/1140854844.db2.gz PXVPSCNRKNWHHO-GASCZTMLSA-N 0 3 302.422 2.449 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001320426575 1140864368 /nfs/dbraw/zinc/86/43/68/1140864368.db2.gz ODBXJAVKIYJAPQ-DLBZAZTESA-N 0 3 317.433 2.151 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)Cc2ccccc2F)C1 ZINC001278438632 1140877467 /nfs/dbraw/zinc/87/74/67/1140877467.db2.gz VMRYDGFCWNEOEP-GOSISDBHSA-N 0 3 320.408 2.151 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc2c1O[C@H](C)C2 ZINC001320799554 1140928590 /nfs/dbraw/zinc/92/85/90/1140928590.db2.gz PFIICPDOFQVKOR-CQSZACIVSA-N 0 3 300.402 2.085 20 30 DEEDHN N#Cc1cc(CNC/C=C/CNC(=O)CCCF)ccc1F ZINC001321187516 1141079312 /nfs/dbraw/zinc/07/93/12/1141079312.db2.gz BXOPIZSFXWFXMO-OWOJBTEDSA-N 0 3 307.344 2.209 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001321373165 1141208981 /nfs/dbraw/zinc/20/89/81/1141208981.db2.gz TXOLMQXEDWRKBE-AATRIKPKSA-N 0 3 309.413 2.304 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@]12C[C@H]1CCC2 ZINC001321595492 1141314026 /nfs/dbraw/zinc/31/40/26/1141314026.db2.gz YMRVEGGXENJHIZ-IDHHARJASA-N 0 3 314.404 2.462 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)c1ccoc1 ZINC001321790134 1141344272 /nfs/dbraw/zinc/34/42/72/1141344272.db2.gz UGLCZHUYZSOCBE-ZDUSSCGKSA-N 0 3 300.333 2.178 20 30 DEEDHN CO[C@@H](CN(C)C[C@H](C)NC(=O)C#CC(C)C)c1ccccc1 ZINC001322155238 1141418887 /nfs/dbraw/zinc/41/88/87/1141418887.db2.gz BBMGSXFIYRSXEK-WMZOPIPTSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001322160624 1141424339 /nfs/dbraw/zinc/42/43/39/1141424339.db2.gz NXHPIFNJMASLRW-CYBMUJFWSA-N 0 3 303.406 2.190 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCNCc1cc(C2CC2)no1 ZINC001322502557 1141612981 /nfs/dbraw/zinc/61/29/81/1141612981.db2.gz QLCZRFSKCZWENC-UHFFFAOYSA-N 0 3 303.406 2.150 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001322531236 1141621871 /nfs/dbraw/zinc/62/18/71/1141621871.db2.gz PWLRCWUHUHUQLY-UHFFFAOYSA-N 0 3 312.845 2.442 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001322539292 1141624009 /nfs/dbraw/zinc/62/40/09/1141624009.db2.gz BAOMWDODVQREJX-UHFFFAOYSA-N 0 3 305.209 2.176 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H](CNCc1cnc(Cl)s1)C1CC1 ZINC001322990338 1141793281 /nfs/dbraw/zinc/79/32/81/1141793281.db2.gz GJOSSURXVCJXDH-ZDUSSCGKSA-N 0 3 323.849 2.194 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CNCc2cnn(C)c2)C2CC2)CC1 ZINC001323066157 1141808102 /nfs/dbraw/zinc/80/81/02/1141808102.db2.gz WRUKVCPRBZOMLC-KRWDZBQOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001323278320 1141836106 /nfs/dbraw/zinc/83/61/06/1141836106.db2.gz PMSDGTCSAWHTFJ-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ncccc1OC ZINC001323340247 1141844094 /nfs/dbraw/zinc/84/40/94/1141844094.db2.gz MUGYIZQXGHBCHI-KBPBESRZSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCNC1(CNC(=O)c2cnc(CC(C)(C)C)s2)CC1 ZINC001323592809 1141867709 /nfs/dbraw/zinc/86/77/09/1141867709.db2.gz WREHCSXTLNZGLI-UHFFFAOYSA-N 0 3 305.447 2.217 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2nc3ccccc3o2)CC1 ZINC001323612981 1141870085 /nfs/dbraw/zinc/87/00/85/1141870085.db2.gz AEPJPRYWVFYHAQ-UHFFFAOYSA-N 0 3 311.385 2.022 20 30 DEEDHN COCC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001323637989 1141872426 /nfs/dbraw/zinc/87/24/26/1141872426.db2.gz OGDLHAUECUPCGK-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN COCC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001323857733 1141893700 /nfs/dbraw/zinc/89/37/00/1141893700.db2.gz LFZASOXQTXGQHB-IBGZPJMESA-N 0 3 320.477 2.243 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001324212910 1142032490 /nfs/dbraw/zinc/03/24/90/1142032490.db2.gz IONJLMSYCNVDFP-DOTOQJQBSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC(C)(C)C ZINC001324222765 1142034646 /nfs/dbraw/zinc/03/46/46/1142034646.db2.gz RSVHVTSNMWMNAO-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCN(C(=O)CCCC1CC1)C1CCN(CCOC)CC1 ZINC001324413353 1142073676 /nfs/dbraw/zinc/07/36/76/1142073676.db2.gz LNVXJKAZPHQQBU-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](CNCc2nccs2)C1 ZINC001278560000 1142139503 /nfs/dbraw/zinc/13/95/03/1142139503.db2.gz VJNNVTJYUUMJQN-KGLIPLIRSA-N 0 3 305.447 2.321 20 30 DEEDHN C#CCOC[C@@H](O)CN[C@H](c1ccncc1)c1ccccc1C ZINC001251820860 1142516107 /nfs/dbraw/zinc/51/61/07/1142516107.db2.gz ACAOATJABQUWKX-PKOBYXMFSA-N 0 3 310.397 2.080 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2CC3(C2)COC(C)(C)C3)CC1 ZINC001336798092 1142574949 /nfs/dbraw/zinc/57/49/49/1142574949.db2.gz PNUIXVWFLKHDHG-UHFFFAOYSA-N 0 3 321.465 2.284 20 30 DEEDHN Cc1cc(C)cc(OC[C@@H](O)CNCC#C[C@H]2CCCCO2)c1 ZINC001336844114 1142595012 /nfs/dbraw/zinc/59/50/12/1142595012.db2.gz BCTZXJWNFGEEFZ-ZWKOTPCHSA-N 0 3 317.429 2.205 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CC2CCC(OC)CC2)CC1 ZINC001278642060 1142606123 /nfs/dbraw/zinc/60/61/23/1142606123.db2.gz VXLWZJFLNCBEJM-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C[C@H](O)CO ZINC001252062759 1142618013 /nfs/dbraw/zinc/61/80/13/1142618013.db2.gz OGYGYOYUMINLRD-BEFAXECRSA-N 0 3 310.397 2.475 20 30 DEEDHN C=CCOC[C@@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001252453169 1142717292 /nfs/dbraw/zinc/71/72/92/1142717292.db2.gz GWXBSXOUPAMGSC-AOIWGVFYSA-N 0 3 318.461 2.145 20 30 DEEDHN C=C[C@@](C)(O)CN1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001252549979 1142758789 /nfs/dbraw/zinc/75/87/89/1142758789.db2.gz LIIADIIXZRDEGQ-MRXNPFEDSA-N 0 3 310.438 2.256 20 30 DEEDHN C=C[C@](C)(O)CN1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001252554098 1142763333 /nfs/dbraw/zinc/76/33/33/1142763333.db2.gz BEBXEAKQXNWGAP-KRWDZBQOSA-N 0 3 301.386 2.423 20 30 DEEDHN C=C[C@@](C)(O)CNCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001252584863 1142771298 /nfs/dbraw/zinc/77/12/98/1142771298.db2.gz HKDIERIMJZQAAX-MRXNPFEDSA-N 0 3 302.330 2.097 20 30 DEEDHN C=C[C@@](C)(O)CNCc1ccnc(N2CCCCCC2=O)c1 ZINC001252583455 1142771837 /nfs/dbraw/zinc/77/18/37/1142771837.db2.gz LAONWSMNAMRUHW-QGZVFWFLSA-N 0 3 303.406 2.015 20 30 DEEDHN C=CCC[C@@H](O)CNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C)n1 ZINC001252590929 1142773622 /nfs/dbraw/zinc/77/36/22/1142773622.db2.gz GDYLJJXRDDHGIE-VNHYZAJKSA-N 0 3 320.437 2.138 20 30 DEEDHN C=CCC[C@H](O)CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001252597458 1142778934 /nfs/dbraw/zinc/77/89/34/1142778934.db2.gz ZLEXYUSMNGFPFV-WMZOPIPTSA-N 0 3 319.449 2.069 20 30 DEEDHN C=CCC[C@H](O)CN1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001252597068 1142778968 /nfs/dbraw/zinc/77/89/68/1142778968.db2.gz WJRCLPVFEBCOEJ-AWEZNQCLSA-N 0 3 310.438 2.399 20 30 DEEDHN C=CCC[C@@H](O)CNc1ccc(CN2CCN(C)CC2)cc1 ZINC001252605260 1142786976 /nfs/dbraw/zinc/78/69/76/1142786976.db2.gz LCPGXLINCDAWGA-GOSISDBHSA-N 0 3 303.450 2.173 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2cc(C#N)cc(Cl)n2)CC1 ZINC001337789577 1142801886 /nfs/dbraw/zinc/80/18/86/1142801886.db2.gz IOKJJMLHTGRISV-CYBMUJFWSA-N 0 3 321.856 2.292 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001252676587 1142807090 /nfs/dbraw/zinc/80/70/90/1142807090.db2.gz WSZDUMGQCPTAFI-AEFFLSMTSA-N 0 3 318.417 2.187 20 30 DEEDHN COc1ccc(OC[C@H](O)CNCc2cc(C#N)cs2)cc1 ZINC001252745563 1142813880 /nfs/dbraw/zinc/81/38/80/1142813880.db2.gz ONEZTUSSLBPZSH-CYBMUJFWSA-N 0 3 318.398 2.158 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001278682023 1142814921 /nfs/dbraw/zinc/81/49/21/1142814921.db2.gz QDQIWZHVIHAEPT-NVXWUHKLSA-N 0 3 304.438 2.239 20 30 DEEDHN C=C[C@@H](O)CN[C@@H](C)C(=O)Nc1cc2ccccc2c(OC)c1 ZINC001253617121 1142884816 /nfs/dbraw/zinc/88/48/16/1142884816.db2.gz ZYBOGHBDKWQAAQ-SWLSCSKDSA-N 0 3 314.385 2.312 20 30 DEEDHN C#Cc1ccc(CNC[C@@](C)(O)C(=O)OCc2ccccc2)cc1 ZINC001253654220 1142888272 /nfs/dbraw/zinc/88/82/72/1142888272.db2.gz VJTZPOITBLMCBI-HXUWFJFHSA-N 0 3 323.392 2.252 20 30 DEEDHN C#CCOCCN(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC001253750264 1142906937 /nfs/dbraw/zinc/90/69/37/1142906937.db2.gz UZJUXKUIEDHCGQ-SFHVURJKSA-N 0 3 313.397 2.161 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1 ZINC001339152375 1142953884 /nfs/dbraw/zinc/95/38/84/1142953884.db2.gz JSXRUYRYXITXRO-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN COc1cccc(OC[C@@H](O)CNCc2csc(C#N)c2)c1 ZINC001253981687 1143016713 /nfs/dbraw/zinc/01/67/13/1143016713.db2.gz DNRZUIWEEGRLIY-ZDUSSCGKSA-N 0 3 318.398 2.158 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C#N)CC2)CC1=O ZINC001254244584 1143064992 /nfs/dbraw/zinc/06/49/92/1143064992.db2.gz FJVFAPBQZADCQV-ZDUSSCGKSA-N 0 3 307.394 2.148 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H](C)CC#N ZINC001339718966 1143086911 /nfs/dbraw/zinc/08/69/11/1143086911.db2.gz CIWFGNDLFUICHL-ZIAGYGMSSA-N 0 3 302.426 2.012 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1OC ZINC001339974929 1143213808 /nfs/dbraw/zinc/21/38/08/1143213808.db2.gz GMCUTZZAIDTWCH-ZDUSSCGKSA-N 0 3 319.405 2.019 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC001339990193 1143223532 /nfs/dbraw/zinc/22/35/32/1143223532.db2.gz QALRMAPQCQGPQM-CYBMUJFWSA-N 0 3 309.797 2.078 20 30 DEEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=N)c1ccc(F)cn1 ZINC001254538395 1143239911 /nfs/dbraw/zinc/23/99/11/1143239911.db2.gz UIWCYOKCTQGDSP-JTQLQIEISA-N 0 3 302.309 2.465 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@H]2OCCc3cn(CC4CC4)nc32)C1 ZINC001254636926 1143292161 /nfs/dbraw/zinc/29/21/61/1143292161.db2.gz OFUBOFCXGYBZGC-VNQPRFMTSA-N 0 3 300.406 2.189 20 30 DEEDHN CC(C)(C)NC(=O)CO[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254671667 1143308765 /nfs/dbraw/zinc/30/87/65/1143308765.db2.gz SQPNSWHMDKAWPW-RRFJBIMHSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC001340284007 1143315977 /nfs/dbraw/zinc/31/59/77/1143315977.db2.gz PYGRPYXXHLVOSE-AYBZRNKSSA-N 0 3 318.461 2.416 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001278821078 1143349747 /nfs/dbraw/zinc/34/97/47/1143349747.db2.gz HRHINMGQZMDASJ-GOSISDBHSA-N 0 3 302.418 2.046 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1C1(OC)CC1 ZINC001340668338 1143394891 /nfs/dbraw/zinc/39/48/91/1143394891.db2.gz LCZLRAMTPWHHRT-KBPBESRZSA-N 0 3 319.453 2.019 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC001340765629 1143434519 /nfs/dbraw/zinc/43/45/19/1143434519.db2.gz ALBGXWVGCVZCBM-OAHLLOKOSA-N 0 3 318.417 2.190 20 30 DEEDHN CC[C@@H](CC#N)NC[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255152035 1143445991 /nfs/dbraw/zinc/44/59/91/1143445991.db2.gz LTJKHVQNNUGGMP-KGLIPLIRSA-N 0 3 323.437 2.294 20 30 DEEDHN CC[C@@H](CC#N)NC[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255152278 1143448313 /nfs/dbraw/zinc/44/83/13/1143448313.db2.gz QDIDBDQVRJKRBE-GRDNDAEWSA-N 0 3 323.437 2.152 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccc(NC(C)=O)cc2C1 ZINC001340941657 1143500595 /nfs/dbraw/zinc/50/05/95/1143500595.db2.gz YRNROCFNYUHCDP-KRWDZBQOSA-N 0 3 315.417 2.213 20 30 DEEDHN C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCN(C)C2)n1CC ZINC001341149385 1143550006 /nfs/dbraw/zinc/55/00/06/1143550006.db2.gz ZSSSRVSNQDERLG-HUUCEWRRSA-N 0 3 301.438 2.099 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC001341538280 1143625509 /nfs/dbraw/zinc/62/55/09/1143625509.db2.gz HGQAAKHZBSWXSN-HNNXBMFYSA-N 0 3 304.390 2.414 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@@H]1CNCCN1C)c1ccccc1 ZINC001341606306 1143637186 /nfs/dbraw/zinc/63/71/86/1143637186.db2.gz AGQWPAIDIKKSPC-SJORKVTESA-N 0 3 301.434 2.104 20 30 DEEDHN CN1CCC[C@H](NC2(C#N)CCN(Cc3ccccc3)CC2)C1 ZINC001255473707 1143654234 /nfs/dbraw/zinc/65/42/34/1143654234.db2.gz WUFYAYAMUABMTJ-SFHVURJKSA-N 0 3 312.461 2.229 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001342344099 1143812430 /nfs/dbraw/zinc/81/24/30/1143812430.db2.gz MIABHBUWWSAHCX-LSDHHAIUSA-N 0 3 321.469 2.218 20 30 DEEDHN N#Cc1cnc(CNC2CCN(Cc3ccncc3)CC2)s1 ZINC001256586213 1143855371 /nfs/dbraw/zinc/85/53/71/1143855371.db2.gz ZRZNLGODEPTIIC-UHFFFAOYSA-N 0 3 313.430 2.164 20 30 DEEDHN COc1ccc(C(=NO)N[C@@H]2CCCN(C3CCCC3)C2)nc1 ZINC001256902472 1143873759 /nfs/dbraw/zinc/87/37/59/1143873759.db2.gz VJNMWBAHNVVHPR-CYBMUJFWSA-N 0 3 318.421 2.223 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001279008002 1143897632 /nfs/dbraw/zinc/89/76/32/1143897632.db2.gz DABCOZPGLRZYIB-ZDUSSCGKSA-N 0 3 321.469 2.336 20 30 DEEDHN C=CCS(=O)(=O)N1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC001259928886 1144159722 /nfs/dbraw/zinc/15/97/22/1144159722.db2.gz LTEAYOUQTPVNKI-QGZVFWFLSA-N 0 3 320.458 2.243 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001299669191 1144186057 /nfs/dbraw/zinc/18/60/57/1144186057.db2.gz UWOUAGMGCWCNPR-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001262952615 1144344254 /nfs/dbraw/zinc/34/42/54/1144344254.db2.gz YBIMNGGJOOMCCY-CABCVRRESA-N 0 3 316.453 2.229 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C(=O)NC ZINC001263069948 1144353297 /nfs/dbraw/zinc/35/32/97/1144353297.db2.gz GUMNFLNKZUUFFK-HUUCEWRRSA-N 0 3 311.470 2.191 20 30 DEEDHN C=C(C)Cn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)O ZINC001263309575 1144367926 /nfs/dbraw/zinc/36/79/26/1144367926.db2.gz NVYFIFXZQHAOMI-UONOGXRCSA-N 0 3 321.469 2.001 20 30 DEEDHN CC(C)[C@@H](C#N)OC(=O)C1CCN(Cc2ccccc2)C1=O ZINC001263367171 1144372552 /nfs/dbraw/zinc/37/25/52/1144372552.db2.gz KWPJBKIPKSYIEQ-HUUCEWRRSA-N 0 3 300.358 2.126 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C=Cc1ccc(C(=O)OC)o1 ZINC001263615698 1144383264 /nfs/dbraw/zinc/38/32/64/1144383264.db2.gz CTTOPZFSVJEFMT-TXNVCOODSA-N 0 3 313.313 2.172 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001263840239 1144408133 /nfs/dbraw/zinc/40/81/33/1144408133.db2.gz AJOZNXDXZMBLKA-CYUUQNCZSA-N 0 3 319.453 2.261 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1CCOCC1CC1 ZINC001264607642 1144578146 /nfs/dbraw/zinc/57/81/46/1144578146.db2.gz JRBBONPMDITDMU-DLBZAZTESA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCC(=O)N1CCCCC[C@H](NCc2cncs2)C1 ZINC001264672620 1144589250 /nfs/dbraw/zinc/58/92/50/1144589250.db2.gz GTJBOEBPMXYOMX-AWEZNQCLSA-N 0 3 323.462 2.207 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)[C@H]1C ZINC001264727426 1144601119 /nfs/dbraw/zinc/60/11/19/1144601119.db2.gz KONPYFTUYLSHGI-NJAFHUGGSA-N 0 3 315.461 2.444 20 30 DEEDHN CCN(CCCNC(=O)[C@@H](C)C#N)Cc1cn(C(C)C)nc1C ZINC001265107073 1144645074 /nfs/dbraw/zinc/64/50/74/1144645074.db2.gz YMYCDQZVRMRLHI-AWEZNQCLSA-N 0 3 319.453 2.260 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001265213695 1144667998 /nfs/dbraw/zinc/66/79/98/1144667998.db2.gz XBCZCKKMPOVGDY-AEFFLSMTSA-N 0 3 306.450 2.395 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001265274642 1144678839 /nfs/dbraw/zinc/67/88/39/1144678839.db2.gz GGGNZENZEVDAOS-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001265315234 1144692002 /nfs/dbraw/zinc/69/20/02/1144692002.db2.gz RPJWILOBYFBTCY-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1cnn(C)c1)C1CC1 ZINC001265372402 1144699480 /nfs/dbraw/zinc/69/94/80/1144699480.db2.gz IOPWDVXTBVIQLX-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001265647504 1144722304 /nfs/dbraw/zinc/72/23/04/1144722304.db2.gz PFGWWVYGWUQSGM-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CNCC(=O)N[C@H](C)C(C)C ZINC001265664599 1144724723 /nfs/dbraw/zinc/72/47/23/1144724723.db2.gz WCJBLLAXMSTTFH-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001265664564 1144724737 /nfs/dbraw/zinc/72/47/37/1144724737.db2.gz VRBXUCLSQATKAA-RPZAIAHZSA-N 0 3 321.465 2.004 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](C)NCc1ccccc1OC1CC1 ZINC001265773013 1144739564 /nfs/dbraw/zinc/73/95/64/1144739564.db2.gz NNMRMYYHABRNFL-HNNXBMFYSA-N 0 3 314.429 2.482 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](OC(C)C)c2ccccc2)C1 ZINC001265951697 1144767096 /nfs/dbraw/zinc/76/70/96/1144767096.db2.gz OJMPVVQVVSCBFK-ROUUACIJSA-N 0 3 314.429 2.367 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2oc(CC)nc2C)C1 ZINC001265963913 1144770548 /nfs/dbraw/zinc/77/05/48/1144770548.db2.gz NVPGMVRBAIHZSI-AWEZNQCLSA-N 0 3 305.422 2.450 20 30 DEEDHN Cc1csc(CNC[C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001265973097 1144773684 /nfs/dbraw/zinc/77/36/84/1144773684.db2.gz ICZVBDAWMNIGGC-AWEZNQCLSA-N 0 3 305.447 2.049 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cnnn1CC ZINC001265993298 1144779916 /nfs/dbraw/zinc/77/99/16/1144779916.db2.gz WLAPTPWKWAYGII-GDBMZVCRSA-N 0 3 319.453 2.123 20 30 DEEDHN CCN(CCCNC(=O)c1ccc(C#N)[nH]1)CCC(F)(F)F ZINC001266036050 1144796996 /nfs/dbraw/zinc/79/69/96/1144796996.db2.gz ZKNKXLXPKGHBPO-UHFFFAOYSA-N 0 3 316.327 2.281 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC001266047886 1144800137 /nfs/dbraw/zinc/80/01/37/1144800137.db2.gz NXSLQMVMRLYUQQ-KBPBESRZSA-N 0 3 323.462 2.171 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](OC)C2CCCC2)C1 ZINC001266116113 1144807014 /nfs/dbraw/zinc/80/70/14/1144807014.db2.gz FPYJOLQUMBRAGN-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC1(C2CCN(C[C@H](F)CC)CC2)CC1 ZINC001279360192 1144821234 /nfs/dbraw/zinc/82/12/34/1144821234.db2.gz ISTNHEAACVZMLK-GOEBONIOSA-N 0 3 324.440 2.134 20 30 DEEDHN C=CCCCN1CCC[C@](CO)(NC(=O)c2cc(C)co2)C1 ZINC001279510464 1144823501 /nfs/dbraw/zinc/82/35/01/1144823501.db2.gz ZYHFJYFKDBDKNQ-KRWDZBQOSA-N 0 3 306.406 2.111 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2coc(C)n2)c(F)c1 ZINC001279710820 1144827453 /nfs/dbraw/zinc/82/74/53/1144827453.db2.gz XRTUXQJYWLMGHU-UHFFFAOYSA-N 0 3 303.337 2.328 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001280533896 1144844221 /nfs/dbraw/zinc/84/42/21/1144844221.db2.gz YEFVHTOMKBGJFZ-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](OCC)C(C)C)C2 ZINC001281084580 1144871280 /nfs/dbraw/zinc/87/12/80/1144871280.db2.gz FRSJUDJOBZWKGK-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCC(=O)N1CCN(C2CN(CCC3CCCC3)C2)CC1 ZINC001281576742 1144898329 /nfs/dbraw/zinc/89/83/29/1144898329.db2.gz AVCXVYZQDZKKOL-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccccc2F)C[C@@H]1C ZINC001281684260 1144907805 /nfs/dbraw/zinc/90/78/05/1144907805.db2.gz JSNQQSPZAJOFDJ-GJZGRUSLSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCC[NH2+][C@@H](C)CCNC(=O)c1nnc2ccccc2c1[O-] ZINC001281749048 1144912389 /nfs/dbraw/zinc/91/23/89/1144912389.db2.gz MPKSBXIAIFFBJX-LBPRGKRZSA-N 0 3 314.389 2.010 20 30 DEEDHN C=C(C)CCC(=O)N1CCC2(CC1)CN(CCCOC)CCO2 ZINC001281782854 1144913832 /nfs/dbraw/zinc/91/38/32/1144913832.db2.gz UWEBKJDRKCXGPY-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001281820029 1144915047 /nfs/dbraw/zinc/91/50/47/1144915047.db2.gz BYQCKUPRIAPCSQ-SJORKVTESA-N 0 3 320.477 2.332 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001281818228 1144915121 /nfs/dbraw/zinc/91/51/21/1144915121.db2.gz XUBSYOHATVJZIV-HNNXBMFYSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001281820026 1144915123 /nfs/dbraw/zinc/91/51/23/1144915123.db2.gz BYQCKUPRIAPCSQ-DLBZAZTESA-N 0 3 320.477 2.332 20 30 DEEDHN C#CCCCCC(=O)NC1CC(CN[C@H](C)c2cnccn2)C1 ZINC001281999803 1144927508 /nfs/dbraw/zinc/92/75/08/1144927508.db2.gz SEAOCDVLRGEVPV-QQFBHYJXSA-N 0 3 314.433 2.216 20 30 DEEDHN CC(=O)CCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282095150 1144972579 /nfs/dbraw/zinc/97/25/79/1144972579.db2.gz KLVTVOPQPLEIIL-IRXDYDNUSA-N 0 3 314.429 2.280 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(C3CC3)n2)C1 ZINC001282185801 1145009924 /nfs/dbraw/zinc/00/99/24/1145009924.db2.gz RCWAMKHBOBXQJJ-RYUDHWBXSA-N 0 3 317.437 2.021 20 30 DEEDHN C[C@@H](NC(=O)CCn1cccc1)[C@H](C)NCC#Cc1ccccc1 ZINC001282205065 1145012176 /nfs/dbraw/zinc/01/21/76/1145012176.db2.gz CCLCHMWYQBTLFP-ZWKOTPCHSA-N 0 3 323.440 2.413 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NCc2ncccc2C)nc1 ZINC001282215798 1145014320 /nfs/dbraw/zinc/01/43/20/1145014320.db2.gz DKNSIQVJCJPTBV-GJZGRUSLSA-N 0 3 322.412 2.063 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CCCC)CN[C@@H](C)C(=O)NC)CC1 ZINC001282648758 1145110038 /nfs/dbraw/zinc/11/00/38/1145110038.db2.gz ZRJQSCQYAFKHMU-GOEBONIOSA-N 0 3 323.481 2.132 20 30 DEEDHN CCN1C[C@H](NC(=O)c2ccc(C#N)cc2OC)C(C)(C)C1 ZINC001364250773 1145117395 /nfs/dbraw/zinc/11/73/95/1145117395.db2.gz AXPZDFXBXNFOMJ-HNNXBMFYSA-N 0 3 301.390 2.027 20 30 DEEDHN C=CCOCCN1CCCCC[C@@H]1CNC(=O)c1oncc1C ZINC001282678427 1145122957 /nfs/dbraw/zinc/12/29/57/1145122957.db2.gz SOMOOSVHHHSJLT-OAHLLOKOSA-N 0 3 321.421 2.160 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001282677711 1145123926 /nfs/dbraw/zinc/12/39/26/1145123926.db2.gz FMJWLAOXYKJJKD-WBVHZDCISA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCc2cc(F)ccc2F)C1 ZINC001282737421 1145154930 /nfs/dbraw/zinc/15/49/30/1145154930.db2.gz BBIYKDHDIRMFQM-ZDUSSCGKSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001282739298 1145155569 /nfs/dbraw/zinc/15/55/69/1145155569.db2.gz TXDRTGDMVSSYMV-KSSFIOAISA-N 0 3 312.413 2.108 20 30 DEEDHN C=C(Br)CNCCC[C@H](C)NC(=O)C#CC(C)C ZINC001283164128 1145297862 /nfs/dbraw/zinc/29/78/62/1145297862.db2.gz IICSZLSVEFLNCX-ZDUSSCGKSA-N 0 3 315.255 2.429 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC1CCCC1 ZINC001480468858 1151824230 /nfs/dbraw/zinc/82/42/30/1151824230.db2.gz SDFGFCFNWXDSDH-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(F)c2ccncc12 ZINC001283665270 1145569075 /nfs/dbraw/zinc/56/90/75/1145569075.db2.gz JJLVHEVMUYBELV-ZDUSSCGKSA-N 0 3 313.376 2.447 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC001283723274 1145618256 /nfs/dbraw/zinc/61/82/56/1145618256.db2.gz OMFAXTUSHZLBGX-CABCVRRESA-N 0 3 304.409 2.464 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2scnc2C2CC2)C1 ZINC001284015030 1145752418 /nfs/dbraw/zinc/75/24/18/1145752418.db2.gz RBGXWAFSQPEVSI-YPMHNXCESA-N 0 3 303.431 2.236 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c(C)c2)C1 ZINC001284027480 1145758655 /nfs/dbraw/zinc/75/86/55/1145758655.db2.gz VOLZFYNNQGSZIN-FUHWJXTLSA-N 0 3 314.429 2.146 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2scnc2C)C[C@@H]1C ZINC001284030737 1145759191 /nfs/dbraw/zinc/75/91/91/1145759191.db2.gz IAFBRDZJAGBGDY-GXTWGEPZSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)COc3ccsc3)CCC[C@@H]12 ZINC001284073092 1145785713 /nfs/dbraw/zinc/78/57/13/1145785713.db2.gz YPPGMAJJEQFDFH-GDBMZVCRSA-N 0 3 306.431 2.426 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2ccnn2C)[C@@H]1C ZINC001284129170 1145804836 /nfs/dbraw/zinc/80/48/36/1145804836.db2.gz GWUJRQGWEWPFFB-GDBMZVCRSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001284244647 1145825785 /nfs/dbraw/zinc/82/57/85/1145825785.db2.gz XLEXMCMBSKPZEK-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)C2CCCCCC2)CC1(C)C ZINC001284261982 1145828118 /nfs/dbraw/zinc/82/81/18/1145828118.db2.gz ZYAMTGPKSFQICF-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NC(=O)C(C)(C)N(C)CC)C1 ZINC001284453063 1145857213 /nfs/dbraw/zinc/85/72/13/1145857213.db2.gz AZIYDGHWMJRHRX-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN(CCNC(=O)C1CCC2(CC2)CC1)CCOC ZINC001284656905 1145884970 /nfs/dbraw/zinc/88/49/70/1145884970.db2.gz BUEMWLIMXRDYIF-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001284691595 1145891224 /nfs/dbraw/zinc/89/12/24/1145891224.db2.gz UNQHOMGFWQSEFM-MAUKXSAKSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC001284718889 1145895123 /nfs/dbraw/zinc/89/51/23/1145895123.db2.gz IFGVLWYJIIIKDF-DOTOQJQBSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCc3ccccn3)CC2)CC1 ZINC001284845879 1145936162 /nfs/dbraw/zinc/93/61/62/1145936162.db2.gz DSZSSEXRRDOYHS-UHFFFAOYSA-N 0 3 311.429 2.008 20 30 DEEDHN 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/nfs/dbraw/zinc/81/87/08/1147818708.db2.gz XMTMPEQUSFWWOR-MRXNPFEDSA-N 0 3 306.381 2.175 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001318404308 1147821932 /nfs/dbraw/zinc/82/19/32/1147821932.db2.gz ZPXAIZUJFZVMEU-RDJZCZTQSA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001324648891 1147825765 /nfs/dbraw/zinc/82/57/65/1147825765.db2.gz XMSANFZGLALQBA-JFIYKMOQSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCc2c(C)noc2C)C1 ZINC001324670981 1147829072 /nfs/dbraw/zinc/82/90/72/1147829072.db2.gz BFWOSGOIHPRDPW-KRWDZBQOSA-N 0 3 305.422 2.381 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)COc2cc(C)cc(C)c2)C1 ZINC001324675411 1147829490 /nfs/dbraw/zinc/82/94/90/1147829490.db2.gz WQCJSHYYQADZJU-IBGZPJMESA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)COc2ccc(C)cc2)CC1 ZINC001324897855 1147856405 /nfs/dbraw/zinc/85/64/05/1147856405.db2.gz QZVSINNWIIUSLH-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C(=NOCC[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC001325340478 1147894220 /nfs/dbraw/zinc/89/42/20/1147894220.db2.gz UCESFDFMOQOTMY-INIZCTEOSA-N 0 3 304.390 2.300 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cc(C)n[nH]1)c1ccccc1CC ZINC001325363414 1147896598 /nfs/dbraw/zinc/89/65/98/1147896598.db2.gz RQIKIGUNLMBQCA-GOSISDBHSA-N 0 3 324.428 2.365 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC001326381081 1148089762 /nfs/dbraw/zinc/08/97/62/1148089762.db2.gz BIMIZOCFJQOEJZ-INIZCTEOSA-N 0 3 302.443 2.083 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc3c([nH]2)c(F)ccc3C)CCC1 ZINC001326846800 1148269726 /nfs/dbraw/zinc/26/97/26/1148269726.db2.gz SWMPHNKIFUUFNJ-UHFFFAOYSA-N 0 3 313.376 2.491 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)OC2CCCCCC2)CCC1 ZINC001326890343 1148282234 /nfs/dbraw/zinc/28/22/34/1148282234.db2.gz XFTYLTYFCJLXTB-OAHLLOKOSA-N 0 3 306.450 2.376 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CCC1 ZINC001326910520 1148288915 /nfs/dbraw/zinc/28/89/15/1148288915.db2.gz HLVVFXKGWBLYHS-FXAWDEMLSA-N 0 3 308.425 2.152 20 30 DEEDHN Cn1nccc1N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000278488952 214187078 /nfs/dbraw/zinc/18/70/78/214187078.db2.gz KZHWUCBFEASKCR-GFCCVEGCSA-N 0 3 301.419 2.112 20 30 DEEDHN C=C(C)COc1cc(CN[C@@]2(CCO)CCOC2)ccc1OC ZINC000278536028 214220737 /nfs/dbraw/zinc/22/07/37/214220737.db2.gz WBRHLXMOQQRKNN-SFHVURJKSA-N 0 3 321.417 2.281 20 30 DEEDHN C=CCc1cc(CN[C@H](COC)[C@@H]2CCCO2)cc(OC)c1O ZINC000278576010 214248174 /nfs/dbraw/zinc/24/81/74/214248174.db2.gz FFPXCDUIZKAFPY-CVEARBPZSA-N 0 3 321.417 2.413 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000348356725 529546266 /nfs/dbraw/zinc/54/62/66/529546266.db2.gz YKCNSLRNCBLBRV-YESZJQIVSA-N 0 3 311.385 2.314 20 30 DEEDHN CC[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N(C)C ZINC000299126652 529611895 /nfs/dbraw/zinc/61/18/95/529611895.db2.gz XOZHHPDVMSABLO-QWHCGFSZSA-N 0 3 324.222 2.470 20 30 DEEDHN C=CCNC(=O)[C@H](C)N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090619003 185307074 /nfs/dbraw/zinc/30/70/74/185307074.db2.gz WJWBXBHKSCNRKX-GJZGRUSLSA-N 0 3 304.434 2.496 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCCC3(CC3)C2)cc1 ZINC000613751240 362200421 /nfs/dbraw/zinc/20/04/21/362200421.db2.gz WEDZGTFUMGNMKS-INIZCTEOSA-N 0 3 300.402 2.368 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(F)cc3C#N)C2)C1 ZINC000292601068 529810757 /nfs/dbraw/zinc/81/07/57/529810757.db2.gz DSQLIECCQUKWSE-INIZCTEOSA-N 0 3 302.353 2.257 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cc(C#N)ccc1OC ZINC000614206358 362315216 /nfs/dbraw/zinc/31/52/16/362315216.db2.gz SSMVOQWRPLTYAA-WBVHZDCISA-N 0 3 315.417 2.303 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@@](C)(O)c2ccccc2)CC1 ZINC000272733445 210138920 /nfs/dbraw/zinc/13/89/20/210138920.db2.gz HHCVGPDVKPNCEU-LJQANCHMSA-N 0 3 316.445 2.441 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@@H](c1ccc(CC)cc1)N(CC)CC ZINC000615238753 362563722 /nfs/dbraw/zinc/56/37/22/362563722.db2.gz ZBZGRBUUUMJIJF-IRXDYDNUSA-N 0 3 304.434 2.295 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc(OCC)c2)[C@H]1C ZINC001088845074 781926375 /nfs/dbraw/zinc/92/63/75/781926375.db2.gz LKJGNYLSOMDCEA-HIFRSBDPSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000115565904 185693465 /nfs/dbraw/zinc/69/34/65/185693465.db2.gz LJHFFVHBTVOSCK-UHFFFAOYSA-N 0 3 319.493 2.383 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCNC1(C2CCC2)CC1 ZINC000625514248 365811954 /nfs/dbraw/zinc/81/19/54/365811954.db2.gz PVLSZTRPDSMPNP-UHFFFAOYSA-N 0 3 308.381 2.208 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279678687 215055880 /nfs/dbraw/zinc/05/58/80/215055880.db2.gz HHSLYPRNRNUWQR-UHFFFAOYSA-N 0 3 324.384 2.379 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCSC3)C2=O)cc1 ZINC000272608857 210010322 /nfs/dbraw/zinc/01/03/22/210010322.db2.gz VTNVMPGDUQEYTF-DZGCQCFKSA-N 0 3 301.415 2.149 20 30 DEEDHN C=C[C@H](O)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000616478162 362869003 /nfs/dbraw/zinc/86/90/03/362869003.db2.gz MAFNVJBIVONZTD-IRXDYDNUSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(CN)o1)C(C)C ZINC000236670052 539738972 /nfs/dbraw/zinc/73/89/72/539738972.db2.gz AMEBLYAUSXZUCO-HNNXBMFYSA-N 0 3 305.422 2.167 20 30 DEEDHN CN(CC1CCOCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000155702185 186104357 /nfs/dbraw/zinc/10/43/57/186104357.db2.gz ZRWUQWMZOFFOFB-AWEZNQCLSA-N 0 3 319.430 2.083 20 30 DEEDHN C=CCC1(NCc2nnnn2CC2CCOCC2)CCCCC1 ZINC000625934677 365961964 /nfs/dbraw/zinc/96/19/64/365961964.db2.gz WPMNCLRNUFZDKC-UHFFFAOYSA-N 0 3 319.453 2.468 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(O)c2)CC1 ZINC000171944085 198012205 /nfs/dbraw/zinc/01/22/05/198012205.db2.gz OKRBYKSPOMYRRP-CYBMUJFWSA-N 0 3 303.406 2.403 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)NC3(C#N)CC3)cc2)CC1 ZINC000172107003 198040856 /nfs/dbraw/zinc/04/08/56/198040856.db2.gz WNYBUWGDEYXYSM-UHFFFAOYSA-N 0 3 312.417 2.003 20 30 DEEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC2(C)C)CC1=O ZINC000329127530 539914502 /nfs/dbraw/zinc/91/45/02/539914502.db2.gz UWFKEYIKQPKBNM-MGPQQGTHSA-N 0 3 307.438 2.074 20 30 DEEDHN CCC(CC)[C@H](CNCc1ccc(C#N)o1)N1CCOCC1 ZINC000174261780 198311825 /nfs/dbraw/zinc/31/18/25/198311825.db2.gz DKBXHUHNLGCQDV-KRWDZBQOSA-N 0 3 305.422 2.378 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H](c2cccs2)N(C)C)c1O ZINC000005110863 353993420 /nfs/dbraw/zinc/99/34/20/353993420.db2.gz MJGDWYQCXDEGSK-WZCGUGGKSA-N 0 3 319.430 2.371 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@@H](c2cccs2)[NH+](C)C)c1[O-] ZINC000005110863 353993429 /nfs/dbraw/zinc/99/34/29/353993429.db2.gz MJGDWYQCXDEGSK-WZCGUGGKSA-N 0 3 319.430 2.371 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H](c2cccs2)N(C)C)c1O ZINC000005110865 353993727 /nfs/dbraw/zinc/99/37/27/353993727.db2.gz MJGDWYQCXDEGSK-CNGOAVBNSA-N 0 3 319.430 2.371 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H](c2cccs2)[NH+](C)C)c1[O-] ZINC000005110865 353993730 /nfs/dbraw/zinc/99/37/30/353993730.db2.gz MJGDWYQCXDEGSK-CNGOAVBNSA-N 0 3 319.430 2.371 20 30 DEEDHN N#Cc1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000046039547 354270283 /nfs/dbraw/zinc/27/02/83/354270283.db2.gz VYVSIUXICJXPOR-UHFFFAOYSA-N 0 3 312.417 2.328 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)CCCCc1ccccc1 ZINC000053083811 354422435 /nfs/dbraw/zinc/42/24/35/354422435.db2.gz GDYKBGHFRHHICH-HNNXBMFYSA-N 0 3 317.433 2.341 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cccn2C)n1 ZINC000067896575 354784854 /nfs/dbraw/zinc/78/48/54/354784854.db2.gz STDVMRXWMPWUKH-SECBINFHSA-N 0 3 303.343 2.148 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H]1[C@@H](C)O ZINC000077283370 355196169 /nfs/dbraw/zinc/19/61/69/355196169.db2.gz VNXJDCHDQCZHIY-HIFRSBDPSA-N 0 3 304.390 2.181 20 30 DEEDHN COC(=O)CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000078728004 355275791 /nfs/dbraw/zinc/27/57/91/355275791.db2.gz UJFONMUKGHQDFT-INIZCTEOSA-N 0 3 302.374 2.102 20 30 DEEDHN Cn1nccc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000080201518 355352046 /nfs/dbraw/zinc/35/20/46/355352046.db2.gz SRVAKOBCQMFHME-CQSZACIVSA-N 0 3 313.380 2.189 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000127364712 283104196 /nfs/dbraw/zinc/10/41/96/283104196.db2.gz VBVFASVDAUNOKU-HOTGVXAUSA-N 0 3 321.465 2.466 20 30 DEEDHN N#Cc1ccncc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000091744790 355608103 /nfs/dbraw/zinc/60/81/03/355608103.db2.gz CWJYSOOYVNMZOF-INIZCTEOSA-N 0 3 300.406 2.034 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000093870335 355688839 /nfs/dbraw/zinc/68/88/39/355688839.db2.gz OTSFQBPDPGWIHA-QGZVFWFLSA-N 0 3 309.413 2.497 20 30 DEEDHN CCN(Cc1ccc(C(=O)N[C@@](C)(C#N)COC)cc1)C1CC1 ZINC000156134424 355950945 /nfs/dbraw/zinc/95/09/45/355950945.db2.gz FUJCRJBLTBJPAC-SFHVURJKSA-N 0 3 315.417 2.329 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000182857857 356149334 /nfs/dbraw/zinc/14/93/34/356149334.db2.gz BVPBSUQSRDNTGW-LBPRGKRZSA-N 0 3 324.375 2.198 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000285642111 283146985 /nfs/dbraw/zinc/14/69/85/283146985.db2.gz XUPGUKGBGFZNOX-QGZVFWFLSA-N 0 3 312.417 2.328 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246235029 283160179 /nfs/dbraw/zinc/16/01/79/283160179.db2.gz IESDYGKJGZLEHB-WFASDCNBSA-N 0 3 319.355 2.393 20 30 DEEDHN Cc1nc2sccn2c(=O)c1CCN1CCC[C@@H](CC#N)C1 ZINC000595622437 358504844 /nfs/dbraw/zinc/50/48/44/358504844.db2.gz AKTZPKMMNURYAA-ZDUSSCGKSA-N 0 3 316.430 2.233 20 30 DEEDHN CCOC[C@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000081518966 192279298 /nfs/dbraw/zinc/27/92/98/192279298.db2.gz SOVCEXSRPGMIGM-HNNXBMFYSA-N 0 3 304.390 2.304 20 30 DEEDHN C=CCN(CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)COC ZINC000595639627 358509689 /nfs/dbraw/zinc/50/96/89/358509689.db2.gz VQMDJIFUEOZVIV-AWEZNQCLSA-N 0 3 301.390 2.410 20 30 DEEDHN N#Cc1cncc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000401327733 356725368 /nfs/dbraw/zinc/72/53/68/356725368.db2.gz NZCPHTXALVEOCT-QGZVFWFLSA-N 0 3 323.400 2.051 20 30 DEEDHN C=CCCCCN1C(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C1=O ZINC000573346516 356749214 /nfs/dbraw/zinc/74/92/14/356749214.db2.gz FXSNDEDSQIGQKI-CALCHBBNSA-N 0 3 312.413 2.460 20 30 DEEDHN N#CC1(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CCCC1 ZINC000579018240 356908901 /nfs/dbraw/zinc/90/89/01/356908901.db2.gz ZIOSUTOMFBSWGX-MRXNPFEDSA-N 0 3 313.401 2.276 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)NC)cc1 ZINC000578905591 356891025 /nfs/dbraw/zinc/89/10/25/356891025.db2.gz DVBJPDMYXKQJRA-ZDUSSCGKSA-N 0 3 301.390 2.047 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)CCCCCC#N)ccn1 ZINC000588662720 357415621 /nfs/dbraw/zinc/41/56/21/357415621.db2.gz FBESEONSUBOMMG-UHFFFAOYSA-N 0 3 304.394 2.435 20 30 DEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000590215643 357526472 /nfs/dbraw/zinc/52/64/72/357526472.db2.gz NEJRVSDJMFKACO-MRXNPFEDSA-N 0 3 314.433 2.181 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cccc(C#N)n1 ZINC000590767707 357607097 /nfs/dbraw/zinc/60/70/97/357607097.db2.gz KDUSVMLBYWPVRX-HNNXBMFYSA-N 0 3 300.406 2.194 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000590931371 357646192 /nfs/dbraw/zinc/64/61/92/357646192.db2.gz PAHSEMMNFFTYII-HNNXBMFYSA-N 0 3 318.396 2.371 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000591615734 357744125 /nfs/dbraw/zinc/74/41/25/357744125.db2.gz SZTFDHBZZHSRBT-HUUCEWRRSA-N 0 3 303.431 2.324 20 30 DEEDHN C#CCCOc1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000276739038 213078063 /nfs/dbraw/zinc/07/80/63/213078063.db2.gz CRUWSJDQGFEVOE-KRWDZBQOSA-N 0 3 312.413 2.285 20 30 DEEDHN CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000592832768 357953881 /nfs/dbraw/zinc/95/38/81/357953881.db2.gz VRSCASAFPVWLDS-GOEBONIOSA-N 0 3 315.417 2.268 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccnc(C#N)c2)C[C@H]1c1ccccc1 ZINC000593090029 358006690 /nfs/dbraw/zinc/00/66/90/358006690.db2.gz MMPRTSSJHUCTLN-ZWKOTPCHSA-N 0 3 321.380 2.342 20 30 DEEDHN COC[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000180004029 199105856 /nfs/dbraw/zinc/10/58/56/199105856.db2.gz JIPULWCKGNOFOT-IAGOWNOFSA-N 0 3 313.401 2.068 20 30 DEEDHN N#CCCn1cc(CN[C@@H](CO)CCF)c(-c2ccccc2)n1 ZINC000593687496 358123484 /nfs/dbraw/zinc/12/34/84/358123484.db2.gz DGKKXXZXFPCYAT-MRXNPFEDSA-N 0 3 316.380 2.274 20 30 DEEDHN N#Cc1ccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594209557 358224358 /nfs/dbraw/zinc/22/43/58/358224358.db2.gz SICCSYBWHJHPGF-IAGOWNOFSA-N 0 3 312.417 2.374 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1F ZINC000594198131 358221958 /nfs/dbraw/zinc/22/19/58/358221958.db2.gz SGQNIYKHYBUYFZ-JKSUJKDBSA-N 0 3 301.365 2.444 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594204734 358223147 /nfs/dbraw/zinc/22/31/47/358223147.db2.gz XULXACWALVRUEP-HOTGVXAUSA-N 0 3 313.401 2.070 20 30 DEEDHN CCNC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594430100 358268148 /nfs/dbraw/zinc/26/81/48/358268148.db2.gz YTNOTTNWYPCYJQ-AWEZNQCLSA-N 0 3 316.405 2.095 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000594429740 358268200 /nfs/dbraw/zinc/26/82/00/358268200.db2.gz VZYKVKFBFABDBV-OAHLLOKOSA-N 0 3 303.381 2.385 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1nc2ccccc2n1C ZINC000594439067 358270292 /nfs/dbraw/zinc/27/02/92/358270292.db2.gz NHWPKHNZJSIZBW-OLZOCXBDSA-N 0 3 313.405 2.162 20 30 DEEDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000595017843 358378728 /nfs/dbraw/zinc/37/87/28/358378728.db2.gz LWLQEVCTQGCJLQ-GFCCVEGCSA-N 0 3 318.377 2.242 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1cc(F)ccc1OC(F)F ZINC000595258273 358407447 /nfs/dbraw/zinc/40/74/47/358407447.db2.gz BEKVMYBIZBCBLJ-NSHDSACASA-N 0 3 315.295 2.064 20 30 DEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000595658084 358514412 /nfs/dbraw/zinc/51/44/12/358514412.db2.gz FNRGYXCEWXSIDR-GJZGRUSLSA-N 0 3 322.449 2.075 20 30 DEEDHN C=CCC1(NCC(=O)Nc2cccc(C(=O)OC)n2)CCCC1 ZINC000595780103 358547765 /nfs/dbraw/zinc/54/77/65/358547765.db2.gz HNIIQQCYUMTEIR-UHFFFAOYSA-N 0 3 317.389 2.285 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788293 358549643 /nfs/dbraw/zinc/54/96/43/358549643.db2.gz IKJUEGUNWYKBPL-OWCLPIDISA-N 0 3 307.438 2.028 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791489 358550114 /nfs/dbraw/zinc/55/01/14/358550114.db2.gz UVYDKRBTNPJIQK-JKSUJKDBSA-N 0 3 307.438 2.030 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791484 358550359 /nfs/dbraw/zinc/55/03/59/358550359.db2.gz UVYDKRBTNPJIQK-CVEARBPZSA-N 0 3 307.438 2.030 20 30 DEEDHN C=CCCSCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000596715308 358745189 /nfs/dbraw/zinc/74/51/89/358745189.db2.gz CLBIRTFWRDIHAK-INIZCTEOSA-N 0 3 311.495 2.423 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000596550847 358711621 /nfs/dbraw/zinc/71/16/21/358711621.db2.gz OEBAYEVGIPKQKK-NVXWUHKLSA-N 0 3 314.433 2.104 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000596881181 358781483 /nfs/dbraw/zinc/78/14/83/358781483.db2.gz JWQQDILOIXMRFS-MRXNPFEDSA-N 0 3 312.417 2.331 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCCO[C@H]1CCCCO1 ZINC000597675707 358976794 /nfs/dbraw/zinc/97/67/94/358976794.db2.gz FANMLTCOTFSSML-IRXDYDNUSA-N 0 3 316.401 2.418 20 30 DEEDHN CC(C)(C)OC(=O)[C@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598603950 359259201 /nfs/dbraw/zinc/25/92/01/359259201.db2.gz IFFOHVXJLLRZIH-UONOGXRCSA-N 0 3 310.438 2.341 20 30 DEEDHN Cc1nccc([C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1 ZINC000598585718 359250269 /nfs/dbraw/zinc/25/02/69/359250269.db2.gz JZROAYMNFYCOFD-GJZGRUSLSA-N 0 3 302.422 2.265 20 30 DEEDHN Cc1cc(C)n([C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1 ZINC000598589643 359251904 /nfs/dbraw/zinc/25/19/04/359251904.db2.gz UJRJQRXLDKDBCI-HZPDHXFCSA-N 0 3 304.438 2.438 20 30 DEEDHN CCCCCNC(=O)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590786 359253823 /nfs/dbraw/zinc/25/38/23/359253823.db2.gz XBLOZOWIHHOVRA-MRXNPFEDSA-N 0 3 323.481 2.306 20 30 DEEDHN CCOC(=O)c1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598700994 359297203 /nfs/dbraw/zinc/29/72/03/359297203.db2.gz SJQNJOUBMHBIFG-HNNXBMFYSA-N 0 3 304.390 2.254 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000598608214 359260707 /nfs/dbraw/zinc/26/07/07/359260707.db2.gz UEBIIUOCNODSGU-HUUCEWRRSA-N 0 3 316.449 2.309 20 30 DEEDHN COc1c(C)cnc(CN(C)C[C@H](O)CC(C)(C)C#N)c1C ZINC000598619094 359263086 /nfs/dbraw/zinc/26/30/86/359263086.db2.gz ACEUUYGVGQDANM-CQSZACIVSA-N 0 3 305.422 2.440 20 30 DEEDHN Cc1cc(CNC2CCN(CC#N)CC2)ncc1Br ZINC000598961622 359367817 /nfs/dbraw/zinc/36/78/17/359367817.db2.gz VMLXZSFVLMAEDN-UHFFFAOYSA-N 0 3 323.238 2.230 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)Nc2cc(OC)c(C#N)cc2F)C1 ZINC000599811933 359603238 /nfs/dbraw/zinc/60/32/38/359603238.db2.gz XUNOVMOLYGQTDK-GFCCVEGCSA-N 0 3 320.368 2.312 20 30 DEEDHN C=C(C)[C@@H](NC[C@@H](O)Cn1cccn1)c1ccc(F)c(F)c1 ZINC000187771489 200155040 /nfs/dbraw/zinc/15/50/40/200155040.db2.gz CMJFIEOHULTTFV-CZUORRHYSA-N 0 3 307.344 2.429 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2-c2ccco2)CC1 ZINC000668368490 540655368 /nfs/dbraw/zinc/65/53/68/540655368.db2.gz AKVHWYZNLDXKBY-UHFFFAOYSA-N 0 3 314.389 2.060 20 30 DEEDHN COc1ccc(CN[C@H]2C[C@@H](CO)C2)cc1OCCCC#N ZINC000601139336 359937376 /nfs/dbraw/zinc/93/73/76/359937376.db2.gz BAFJPSGTXZKQQD-GASCZTMLSA-N 0 3 304.390 2.238 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668541116 540682294 /nfs/dbraw/zinc/68/22/94/540682294.db2.gz DFSNTXLIWPWLAV-WBVHZDCISA-N 0 3 300.402 2.352 20 30 DEEDHN CN(C)CCOc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccn1 ZINC000602301808 360334875 /nfs/dbraw/zinc/33/48/75/360334875.db2.gz AFODBADONBEIIK-KRWDZBQOSA-N 0 3 318.421 2.080 20 30 DEEDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000281213553 216158393 /nfs/dbraw/zinc/15/83/93/216158393.db2.gz JVVCARMYKKIVGD-GOSISDBHSA-N 0 3 316.401 2.350 20 30 DEEDHN N#Cc1cccc(CNCCCN2CCc3ccccc3C2)n1 ZINC000602511102 360410780 /nfs/dbraw/zinc/41/07/80/360410780.db2.gz MPRMVINPRSQXBV-UHFFFAOYSA-N 0 3 306.413 2.491 20 30 DEEDHN Cc1ncc(CNC(=O)CCN2CCC(C)(C#N)CC2)s1 ZINC000602809143 360565904 /nfs/dbraw/zinc/56/59/04/360565904.db2.gz ZGYUIPYAVKJJJN-UHFFFAOYSA-N 0 3 306.435 2.084 20 30 DEEDHN CC[C@]1(O)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000602982801 360653685 /nfs/dbraw/zinc/65/36/85/360653685.db2.gz YNJSSQHBFVLHLP-HNNXBMFYSA-N 0 3 307.419 2.185 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000668988272 540763060 /nfs/dbraw/zinc/76/30/60/540763060.db2.gz UAOSMAZXTWXLOC-SUMDDJOVSA-N 0 3 316.445 2.435 20 30 DEEDHN N#CCCOCCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603142810 360718550 /nfs/dbraw/zinc/71/85/50/360718550.db2.gz FLOZHBKJOAHRBV-KGLIPLIRSA-N 0 3 316.323 2.041 20 30 DEEDHN COCc1cc(C#N)ccc1N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000603326337 360793986 /nfs/dbraw/zinc/79/39/86/360793986.db2.gz AKPBZYIRBSJKCY-JKSUJKDBSA-N 0 3 305.447 2.186 20 30 DEEDHN CCCC(=O)NC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000603849117 360864514 /nfs/dbraw/zinc/86/45/14/360864514.db2.gz HARRSDUXGCJCDL-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C=C[C@H](CC(=O)N1CCC[C@](O)(CN(C)C)C1)c1ccccc1 ZINC000670378391 540927870 /nfs/dbraw/zinc/92/78/70/540927870.db2.gz YLCYWWJRBNOURH-APWZRJJASA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608167911 361182064 /nfs/dbraw/zinc/18/20/64/361182064.db2.gz AAWZPXKDJQJWSK-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN N#Cc1ccc(CN(C[C@@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000619264916 363751197 /nfs/dbraw/zinc/75/11/97/363751197.db2.gz NDGVUKWCKMEFFB-INIZCTEOSA-N 0 3 307.401 2.461 20 30 DEEDHN CCN1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000610892441 361487471 /nfs/dbraw/zinc/48/74/71/361487471.db2.gz BMZSHKSDHTUXJH-CQSZACIVSA-N 0 3 300.406 2.356 20 30 DEEDHN C=C[C@H](CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1ccccc1 ZINC000673513725 541116590 /nfs/dbraw/zinc/11/65/90/541116590.db2.gz OFDKYVOVRBBPMK-NXHRZFHOSA-N 0 3 314.429 2.014 20 30 DEEDHN C=CCOCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673754264 541140485 /nfs/dbraw/zinc/14/04/85/541140485.db2.gz XUIQUWCHUZNZBO-INIZCTEOSA-N 0 3 302.418 2.312 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000611634721 361650011 /nfs/dbraw/zinc/65/00/11/361650011.db2.gz QSCVKLCUINNNHY-GDBMZVCRSA-N 0 3 300.406 2.062 20 30 DEEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000195195710 201356145 /nfs/dbraw/zinc/35/61/45/201356145.db2.gz HNSVUQKYKUVDKR-KRWDZBQOSA-N 0 3 303.406 2.308 20 30 DEEDHN C=C[C@@H](NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)OC ZINC000619700944 363860115 /nfs/dbraw/zinc/86/01/15/363860115.db2.gz QQRCCWRTGPRVMV-UKRRQHHQSA-N 0 3 308.447 2.277 20 30 DEEDHN C=C(C)COc1cc(CN(C)[C@]2(CO)CCOC2)ccc1OC ZINC000628367150 366831035 /nfs/dbraw/zinc/83/10/35/366831035.db2.gz NUDSAJOVAXGWRG-SFHVURJKSA-N 0 3 321.417 2.233 20 30 DEEDHN CCOCCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000621705675 364516888 /nfs/dbraw/zinc/51/68/88/364516888.db2.gz QQXGPHMLBDZVEX-CYBMUJFWSA-N 0 3 323.356 2.286 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000677480544 541594714 /nfs/dbraw/zinc/59/47/14/541594714.db2.gz ZBUIJICVRQUZFA-AWEZNQCLSA-N 0 3 308.447 2.188 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000677480518 541594873 /nfs/dbraw/zinc/59/48/73/541594873.db2.gz YSIYECWTCHUETJ-INIZCTEOSA-N 0 3 306.381 2.413 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)OCc2ccncc2)CC1 ZINC000630941714 367924136 /nfs/dbraw/zinc/92/41/36/367924136.db2.gz DOXAFILLVZCIKY-OAHLLOKOSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)CC1 ZINC000630941722 367924236 /nfs/dbraw/zinc/92/42/36/367924236.db2.gz DQRLVONNKFLMGF-AWEZNQCLSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000630943410 367925473 /nfs/dbraw/zinc/92/54/73/367925473.db2.gz QWPOLRJCRRPWBW-DLBZAZTESA-N 0 3 306.450 2.206 20 30 DEEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000451513446 243053071 /nfs/dbraw/zinc/05/30/71/243053071.db2.gz YRVIZLBALVSOED-CHWSQXEVSA-N 0 3 305.378 2.110 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000451605364 243194810 /nfs/dbraw/zinc/19/48/10/243194810.db2.gz JWJGLLHIFINQSU-UAGQMJEPSA-N 0 3 302.418 2.275 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000678219390 541693523 /nfs/dbraw/zinc/69/35/23/541693523.db2.gz BXVNDAQXJBHTOY-MRXNPFEDSA-N 0 3 306.406 2.028 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)cs2)C[C@@H]1N1CCCC1 ZINC000275136612 212143575 /nfs/dbraw/zinc/14/35/75/212143575.db2.gz PGLJQDYAQQDYRL-JSGCOSHPSA-N 0 3 321.471 2.272 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452535743 244369454 /nfs/dbraw/zinc/36/94/54/244369454.db2.gz RCOIDVKSWHSECJ-CABZTGNLSA-N 0 3 300.280 2.405 20 30 DEEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](C)N1CCOCC1 ZINC000271947670 296150125 /nfs/dbraw/zinc/15/01/25/296150125.db2.gz NSBXURJYZPSSOG-HZSPNIEDSA-N 0 3 305.397 2.457 20 30 DEEDHN C[C@H]1C[C@@H](N(C)C(=O)NCCc2cccc(C#N)c2)CCN1C ZINC000342253544 404469961 /nfs/dbraw/zinc/46/99/61/404469961.db2.gz VEICXWHEPAJNRJ-YOEHRIQHSA-N 0 3 314.433 2.225 20 30 DEEDHN CC(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)N1CCN(C)CC1 ZINC000266136144 205127129 /nfs/dbraw/zinc/12/71/29/205127129.db2.gz FRWNSTYPDOPUIL-OAHLLOKOSA-N 0 3 321.856 2.291 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC1(CC#N)CC1 ZINC000454892978 246231957 /nfs/dbraw/zinc/23/19/57/246231957.db2.gz UZQSYZAWBGIUCB-HNNXBMFYSA-N 0 3 306.454 2.490 20 30 DEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458225327 248217442 /nfs/dbraw/zinc/21/74/42/248217442.db2.gz YDGXDJPOFKXFIP-KRWDZBQOSA-N 0 3 306.406 2.201 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000493519072 249313596 /nfs/dbraw/zinc/31/35/96/249313596.db2.gz LCKMYQGYVZXYDR-OJXHRBAXSA-N 0 3 313.401 2.155 20 30 DEEDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000493676095 249359450 /nfs/dbraw/zinc/35/94/50/249359450.db2.gz IKYHALAXPIOIGW-FUHWJXTLSA-N 0 3 315.417 2.074 20 30 DEEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000274057105 211314042 /nfs/dbraw/zinc/31/40/42/211314042.db2.gz PWXNDKMLYYJELO-ZYHUDNBSSA-N 0 3 307.781 2.165 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000106035439 194180593 /nfs/dbraw/zinc/18/05/93/194180593.db2.gz JASRCIJRBCWULW-SFHVURJKSA-N 0 3 315.461 2.446 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccccc2)CC1 ZINC000106275356 194194205 /nfs/dbraw/zinc/19/42/05/194194205.db2.gz WEYWVCOWDLIVEL-QGZVFWFLSA-N 0 3 317.433 2.060 20 30 DEEDHN C[C@@H](CNC(=O)/C=C/c1ccc(OCC#N)cc1)N(C)C1CC1 ZINC000057714022 184049176 /nfs/dbraw/zinc/04/91/76/184049176.db2.gz WLDIAKMKPBVNPG-SEIPJRMCSA-N 0 3 313.401 2.201 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 ZINC000682363098 542288452 /nfs/dbraw/zinc/28/84/52/542288452.db2.gz HYVZWMALJBDBTI-SOLBZPMBSA-N 0 3 307.482 2.264 20 30 DEEDHN CC(C)OCCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001422463877 1172613010 /nfs/dbraw/zinc/61/30/10/1172613010.db2.gz RGBKWFNBTIDMLV-GFCCVEGCSA-N 0 3 309.435 2.029 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)[C@@H]2C1 ZINC000537611812 285006373 /nfs/dbraw/zinc/00/63/73/285006373.db2.gz SWCIRCROPXPCGC-IAQYHMDHSA-N 0 3 303.793 2.378 20 30 DEEDHN COc1cc(NC(=O)N[C@@H](C)CC#N)ccc1OCCN(C)C ZINC000417679170 533000633 /nfs/dbraw/zinc/00/06/33/533000633.db2.gz HGCKRNKSSBWIKQ-LBPRGKRZSA-N 0 3 320.393 2.059 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@H]1C ZINC000373498766 533014526 /nfs/dbraw/zinc/01/45/26/533014526.db2.gz RPRXKTDVTZYZJI-DVOMOZLQSA-N 0 3 302.374 2.218 20 30 DEEDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271988000 209362098 /nfs/dbraw/zinc/36/20/98/209362098.db2.gz YPTCXOJDFODOEK-RISCZKNCSA-N 0 3 304.369 2.152 20 30 DEEDHN C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000157633858 197203996 /nfs/dbraw/zinc/20/39/96/197203996.db2.gz KOXCUDDNVDGRIL-UHFFFAOYSA-N 0 3 323.824 2.282 20 30 DEEDHN N#CC(C(=O)NCC(F)(F)F)c1nccn1Cc1ccccc1 ZINC000155463919 197057402 /nfs/dbraw/zinc/05/74/02/197057402.db2.gz ZMZOPPRCHFNNJU-GFCCVEGCSA-N 0 3 322.290 2.217 20 30 DEEDHN CN(C)[C@]1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCSC1 ZINC000542721701 285245921 /nfs/dbraw/zinc/24/59/21/285245921.db2.gz DGMPPHJKYXZWSE-HNNXBMFYSA-N 0 3 323.849 2.379 20 30 DEEDHN C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H](C)C1 ZINC000289989929 221364528 /nfs/dbraw/zinc/36/45/28/221364528.db2.gz REJYHOTUFMZIAN-NFAWXSAZSA-N 0 3 321.446 2.141 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ncc(C#N)cc1Cl ZINC000330730268 533389688 /nfs/dbraw/zinc/38/96/88/533389688.db2.gz HXPJTRKIKWTSMO-NSHDSACASA-N 0 3 320.824 2.409 20 30 DEEDHN CO[C@]1(C)CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331827118 533372494 /nfs/dbraw/zinc/37/24/94/533372494.db2.gz CUGCPFMTTCJRDZ-OIISXLGYSA-N 0 3 309.454 2.320 20 30 DEEDHN CS(=O)(=O)c1ccc(OCCN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000447529800 533452096 /nfs/dbraw/zinc/45/20/96/533452096.db2.gz MRVUKNLAGUGCON-KGLIPLIRSA-N 0 3 322.430 2.141 20 30 DEEDHN N#Cc1cccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c1F ZINC000562471269 291986988 /nfs/dbraw/zinc/98/69/88/291986988.db2.gz OVYPBCRRUNSNML-SJORKVTESA-N 0 3 317.408 2.430 20 30 DEEDHN C=CCN1CC[C@H](NC2(c3ccccc3)CCOCC2)C1=O ZINC000685002774 542698854 /nfs/dbraw/zinc/69/88/54/542698854.db2.gz LRRIAIQAFMDXSK-INIZCTEOSA-N 0 3 300.402 2.069 20 30 DEEDHN COC(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000122108249 132161719 /nfs/dbraw/zinc/16/17/19/132161719.db2.gz DFZZYLOSICKGJI-UHFFFAOYSA-N 0 3 302.374 2.212 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000685763098 542753363 /nfs/dbraw/zinc/75/33/63/542753363.db2.gz HSMRLJBLPBLPDF-FUHWJXTLSA-N 0 3 302.418 2.046 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000685769522 542753455 /nfs/dbraw/zinc/75/34/55/542753455.db2.gz CHPMSNFLNMXQPT-APWZRJJASA-N 0 3 316.445 2.437 20 30 DEEDHN CCOC(=O)CC(C)(C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000355354488 133019974 /nfs/dbraw/zinc/01/99/74/133019974.db2.gz LDRNTDSVDJJRNH-UHFFFAOYSA-N 0 3 314.389 2.370 20 30 DEEDHN CSC1(CNC(=O)c2ccc(C#N)cc2)CCN(C)CC1 ZINC000355445601 133027266 /nfs/dbraw/zinc/02/72/66/133027266.db2.gz QDGLAWRSDLQMOI-UHFFFAOYSA-N 0 3 303.431 2.115 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000373532162 133394343 /nfs/dbraw/zinc/39/43/43/133394343.db2.gz WPJRKCBOMNATSD-QZTJIDSGSA-N 0 3 300.402 2.483 20 30 DEEDHN CN(C)[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1O ZINC000563362590 292049723 /nfs/dbraw/zinc/04/97/23/292049723.db2.gz DZDCFULBGJFPCL-PMACEKPBSA-N 0 3 321.424 2.332 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(O)CCC2)C1 ZINC000329859204 404474626 /nfs/dbraw/zinc/47/46/26/404474626.db2.gz WMZUQXRFJUOJCE-ZBFHGGJFSA-N 0 3 317.433 2.241 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348145346 146223632 /nfs/dbraw/zinc/22/36/32/146223632.db2.gz KZSWGGWSHUJBNG-AAEUAGOBSA-N 0 3 305.378 2.111 20 30 DEEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000348145346 146223633 /nfs/dbraw/zinc/22/36/33/146223633.db2.gz KZSWGGWSHUJBNG-AAEUAGOBSA-N 0 3 305.378 2.111 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000348520975 146280791 /nfs/dbraw/zinc/28/07/91/146280791.db2.gz MNRHDJIIAJOCGA-CHWSQXEVSA-N 0 3 309.316 2.247 20 30 DEEDHN CN(CCC(N)=O)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000348838956 146318738 /nfs/dbraw/zinc/31/87/38/146318738.db2.gz RZHCBTLZZOHKOX-UHFFFAOYSA-N 0 3 323.396 2.444 20 30 DEEDHN COc1ccc(CN(CCN(C)C)C[C@@H]2CCCO2)cc1C#N ZINC000349064577 146346192 /nfs/dbraw/zinc/34/61/92/146346192.db2.gz VOKGYTOTXCNKKF-KRWDZBQOSA-N 0 3 317.433 2.109 20 30 DEEDHN CN(C)CCn1nnnc1SCc1ccc(Cl)cc1C#N ZINC000358878421 147223356 /nfs/dbraw/zinc/22/33/56/147223356.db2.gz GTMOZBHLIDRSBY-UHFFFAOYSA-N 0 3 322.825 2.052 20 30 DEEDHN C[C@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1(F)F ZINC000359044649 147252919 /nfs/dbraw/zinc/25/29/19/147252919.db2.gz IVSXHCQYNOTBSY-SWLSCSKDSA-N 0 3 321.371 2.350 20 30 DEEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000374412005 148243092 /nfs/dbraw/zinc/24/30/92/148243092.db2.gz OXMMLAPZDVQNFP-JKSUJKDBSA-N 0 3 324.384 2.467 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000111886108 401727226 /nfs/dbraw/zinc/72/72/26/401727226.db2.gz KZNFOXYKYNWEBT-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN CCCCN(C)CCNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000112466215 401746372 /nfs/dbraw/zinc/74/63/72/401746372.db2.gz AWEYPAMCPORZAV-UHFFFAOYSA-N 0 3 302.422 2.432 20 30 DEEDHN C=CC1CCN([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000111259551 401705269 /nfs/dbraw/zinc/70/52/69/401705269.db2.gz JFHXCPRFSDHSJL-GDBMZVCRSA-N 0 3 322.449 2.075 20 30 DEEDHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)CCCC#N ZINC000111338541 401712215 /nfs/dbraw/zinc/71/22/15/401712215.db2.gz BBFJELHRDJLICV-UHFFFAOYSA-N 0 3 323.462 2.204 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H]1CCc2ccccc2C1 ZINC000114489409 401801583 /nfs/dbraw/zinc/80/15/83/401801583.db2.gz INWOQGJFHWKSII-MAUKXSAKSA-N 0 3 313.445 2.484 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000112699403 401754681 /nfs/dbraw/zinc/75/46/81/401754681.db2.gz FBMFRDBDENTHDT-INIZCTEOSA-N 0 3 303.406 2.327 20 30 DEEDHN N#CC1(c2ccccc2)CC(NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000128100715 401762958 /nfs/dbraw/zinc/76/29/58/401762958.db2.gz AKAHZJZDJVPXEY-UHFFFAOYSA-N 0 3 311.345 2.005 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccccc2)CCOCC1 ZINC000075732749 401767662 /nfs/dbraw/zinc/76/76/62/401767662.db2.gz KRBZPHPIXMKBBA-OAHLLOKOSA-N 0 3 302.418 2.015 20 30 DEEDHN CN(CCOc1ccc(Cl)cc1)CCC(=O)N(C)CCC#N ZINC000131059347 401843242 /nfs/dbraw/zinc/84/32/42/401843242.db2.gz DNZGJDPORXZGNK-UHFFFAOYSA-N 0 3 323.824 2.413 20 30 DEEDHN COC(=O)CC1(NCC#Cc2cccc(Cl)c2)CCOCC1 ZINC000133326768 401882254 /nfs/dbraw/zinc/88/22/54/401882254.db2.gz CHHKPQBCHDSLNQ-UHFFFAOYSA-N 0 3 321.804 2.393 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CSCC#N)CN1Cc1ccccc1 ZINC000134900635 401918635 /nfs/dbraw/zinc/91/86/35/401918635.db2.gz JRBMMNTVIJMPRZ-UKRRQHHQSA-N 0 3 303.431 2.022 20 30 DEEDHN CN(C)CCOc1cc(CNCc2ccc(C#N)s2)ccn1 ZINC000136225228 401963905 /nfs/dbraw/zinc/96/39/05/401963905.db2.gz GJPIZYOQQAKCRR-UHFFFAOYSA-N 0 3 316.430 2.245 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccoc1 ZINC000121268905 402024876 /nfs/dbraw/zinc/02/48/76/402024876.db2.gz VRUNZFUERROQRL-UHFFFAOYSA-N 0 3 311.385 2.284 20 30 DEEDHN C=CCN(C)C[C@H](O)COc1ccc(Br)cc1 ZINC000121516556 402041460 /nfs/dbraw/zinc/04/14/60/402041460.db2.gz ILDCKYPDURWDNG-LBPRGKRZSA-N 0 3 300.196 2.307 20 30 DEEDHN N#Cc1cccc(NCC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000151989726 402069973 /nfs/dbraw/zinc/06/99/73/402069973.db2.gz XVIHKNGAAXIUFU-UHFFFAOYSA-N 0 3 312.417 2.057 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1Cc1ccccc1 ZINC000122496312 402081556 /nfs/dbraw/zinc/08/15/56/402081556.db2.gz ONTMYRKLJJXCDQ-XJKSGUPXSA-N 0 3 308.385 2.279 20 30 DEEDHN COCCCOC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000122557122 402084315 /nfs/dbraw/zinc/08/43/15/402084315.db2.gz CXVULHBUJDYDPX-UHFFFAOYSA-N 0 3 318.417 2.455 20 30 DEEDHN N#Cc1cc(F)c(C(=O)NC[C@@H]2CCN(C3CC3)C2)c(F)c1 ZINC000124723152 402193434 /nfs/dbraw/zinc/19/34/34/402193434.db2.gz ISSSJVSIHYMPBE-JTQLQIEISA-N 0 3 305.328 2.051 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000124724789 402194328 /nfs/dbraw/zinc/19/43/28/402194328.db2.gz NBKAYRVXRGBXJL-HIFRSBDPSA-N 0 3 303.406 2.436 20 30 DEEDHN C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000068359162 402195470 /nfs/dbraw/zinc/19/54/70/402195470.db2.gz TZHNVNPLZXQIEY-CABCVRRESA-N 0 3 314.433 2.349 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@](C)(CC)c2nccs2)CC1 ZINC000154294172 402204243 /nfs/dbraw/zinc/20/42/43/402204243.db2.gz QPYIFUSJUUDCNW-INIZCTEOSA-N 0 3 305.447 2.230 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000124055305 402161482 /nfs/dbraw/zinc/16/14/82/402161482.db2.gz DOTJYNPBXGXVBC-GOSISDBHSA-N 0 3 324.428 2.207 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(C)on1)C(C)C ZINC000067608845 402164808 /nfs/dbraw/zinc/16/48/08/402164808.db2.gz ZFRCZWYNUUQEOV-MRXNPFEDSA-N 0 3 320.437 2.481 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108588716 402257823 /nfs/dbraw/zinc/25/78/23/402257823.db2.gz PGOFHQLERNSBLO-INIZCTEOSA-N 0 3 300.406 2.041 20 30 DEEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CCCCC#N)C1 ZINC000068898581 402208652 /nfs/dbraw/zinc/20/86/52/402208652.db2.gz OLNWVYZKWNTGGM-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000106034104 402212011 /nfs/dbraw/zinc/21/20/11/402212011.db2.gz BOSBFUAZJKPNKM-UHFFFAOYSA-N 0 3 312.417 2.127 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1 ZINC000106035548 402212129 /nfs/dbraw/zinc/21/21/29/402212129.db2.gz LXJJDBYLPISIIV-RDJZCZTQSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2n[nH]c3ccccc32)CC1 ZINC000106034051 402212169 /nfs/dbraw/zinc/21/21/69/402212169.db2.gz RSBUKEHMJLERKT-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)C2(C#N)CCOCC2)N(C)C)cc1 ZINC000109142093 402268908 /nfs/dbraw/zinc/26/89/08/402268908.db2.gz MGNGAXUSCGVNEJ-INIZCTEOSA-N 0 3 315.417 2.034 20 30 DEEDHN N#Cc1ccc(CN2CCCN(CCOCC3CC3)CC2)cc1 ZINC000158795815 402311836 /nfs/dbraw/zinc/31/18/36/402311836.db2.gz NOKHKHVMCMLVCG-UHFFFAOYSA-N 0 3 313.445 2.493 20 30 DEEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCCN(CCO)CC1 ZINC000176835884 402341382 /nfs/dbraw/zinc/34/13/82/402341382.db2.gz JEOUCKOEYBDURC-UHFFFAOYSA-N 0 3 313.323 2.081 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160401109 402344186 /nfs/dbraw/zinc/34/41/86/402344186.db2.gz PHDCRNKVCABBJE-BBRMVZONSA-N 0 3 310.401 2.264 20 30 DEEDHN CCOC(=O)N1CC[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000185774551 402375799 /nfs/dbraw/zinc/37/57/99/402375799.db2.gz ZJPQIISJLYLYBX-ZFWWWQNUSA-N 0 3 317.389 2.298 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCc2cccnc2N2CCOCC2)C1 ZINC000185774432 402375931 /nfs/dbraw/zinc/37/59/31/402375931.db2.gz AXPFLKWMHYMXKZ-GDBMZVCRSA-N 0 3 300.406 2.090 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185810995 402378834 /nfs/dbraw/zinc/37/88/34/402378834.db2.gz PGFBAQPTOSZBEZ-KCQAQPDRSA-N 0 3 321.446 2.328 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2c(C)noc2C)CC1 ZINC000161830530 402400616 /nfs/dbraw/zinc/40/06/16/402400616.db2.gz 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/nfs/dbraw/zinc/47/58/01/402475801.db2.gz RIZHUYJXACTOSH-OAHLLOKOSA-N 0 3 320.481 2.134 20 30 DEEDHN N#Cc1ccc(N2CC[C@H](OCCN3CCCCC3)C2)cn1 ZINC000165672440 402477508 /nfs/dbraw/zinc/47/75/08/402477508.db2.gz KARUHRCSZXZRGN-KRWDZBQOSA-N 0 3 300.406 2.034 20 30 DEEDHN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000329910724 404491955 /nfs/dbraw/zinc/49/19/55/404491955.db2.gz ADJXALDDNMPOGY-UPJWGTAASA-N 0 3 321.425 2.089 20 30 DEEDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(OCC#N)cc1 ZINC000171503354 402590013 /nfs/dbraw/zinc/59/00/13/402590013.db2.gz FJIMWCUSAHCRTP-MRXNPFEDSA-N 0 3 301.390 2.080 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccccc2O)CC1 ZINC000171606990 402600733 /nfs/dbraw/zinc/60/07/33/402600733.db2.gz ITMXNIQIQLKXNU-UHFFFAOYSA-N 0 3 317.433 2.274 20 30 DEEDHN N#CCNC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180061047 402606178 /nfs/dbraw/zinc/60/61/78/402606178.db2.gz GGNTUPXYMRZXCO-CQSZACIVSA-N 0 3 311.307 2.386 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(N3CCCC3)nc2)CC1 ZINC000171715192 402613652 /nfs/dbraw/zinc/61/36/52/402613652.db2.gz VDPWGMRCULDUQH-UHFFFAOYSA-N 0 3 314.433 2.062 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000171724273 402614927 /nfs/dbraw/zinc/61/49/27/402614927.db2.gz IRKYUWFKPUEWKP-UHFFFAOYSA-N 0 3 322.792 2.449 20 30 DEEDHN C=CCN1CCC(NC(=O)CCc2ccccc2OC)CC1 ZINC000171726949 402615686 /nfs/dbraw/zinc/61/56/86/402615686.db2.gz DFOVSRMJPQRZDF-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN Cc1cc(C)cc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000180866343 402628274 /nfs/dbraw/zinc/62/82/74/402628274.db2.gz DXVOXPMRUWSWIS-DNZUHHBVSA-N 0 3 313.401 2.480 20 30 DEEDHN Cc1ccc2c(c1)[C@H](NCCNC(=O)C1N=CC=CC1=O)CC2 ZINC000180871037 402628893 /nfs/dbraw/zinc/62/88/93/402628893.db2.gz HUWQITSJSXALRP-BQASMSSTSA-N 0 3 311.385 2.098 20 30 DEEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cc(F)cc(F)c1 ZINC000180880116 402629146 /nfs/dbraw/zinc/62/91/46/402629146.db2.gz VUNDYQIDOKJGSD-JRELAMLQSA-N 0 3 321.327 2.142 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ccn(CCC#N)n1 ZINC000173375026 402694815 /nfs/dbraw/zinc/69/48/15/402694815.db2.gz VRWGIFWAKACSCM-AWEZNQCLSA-N 0 3 318.425 2.183 20 30 DEEDHN CC(C)(C)n1cc(C#N)c(NC(=O)C2CCN(C3CC3)CC2)n1 ZINC000192669397 402743054 /nfs/dbraw/zinc/74/30/54/402743054.db2.gz ISEVAADKOAHMBO-UHFFFAOYSA-N 0 3 315.421 2.323 20 30 DEEDHN COc1ccc([C@H](N[C@@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000192963601 402758741 /nfs/dbraw/zinc/75/87/41/402758741.db2.gz QEIIPDVZPRFULR-SUMWQHHRSA-N 0 3 315.417 2.496 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)NCCN(C)CCOC ZINC000263779540 402802723 /nfs/dbraw/zinc/80/27/23/402802723.db2.gz PEEDYYBARKORFS-UHFFFAOYSA-N 0 3 319.449 2.005 20 30 DEEDHN N#Cc1ccc(OCCN2CCOCC3(CCOCC3)C2)cc1 ZINC000184062696 402815086 /nfs/dbraw/zinc/81/50/86/402815086.db2.gz CTOHNJYIJRJAPE-UHFFFAOYSA-N 0 3 316.401 2.066 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(CCO)CCCCC2)CC1 ZINC000175612700 402821547 /nfs/dbraw/zinc/82/15/47/402821547.db2.gz KHPLLRDILQNNMU-UHFFFAOYSA-N 0 3 323.481 2.269 20 30 DEEDHN CCC[C@@]1(COC)CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000194937814 402823343 /nfs/dbraw/zinc/82/33/43/402823343.db2.gz KEKUPCZONKJVDH-IRXDYDNUSA-N 0 3 309.454 2.322 20 30 DEEDHN CN(C)c1noc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000194930640 402823506 /nfs/dbraw/zinc/82/35/06/402823506.db2.gz OSHMBHIRGWQZBR-OAHLLOKOSA-N 0 3 311.389 2.387 20 30 DEEDHN CCC[C@@]1(COC)CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000194938950 402823512 /nfs/dbraw/zinc/82/35/12/402823512.db2.gz BJZFMHLOGGJOBD-RDJZCZTQSA-N 0 3 309.454 2.276 20 30 DEEDHN C=CCN(CCC(=O)NC(=O)NCc1ccccc1)C1CC1 ZINC000271377105 402864071 /nfs/dbraw/zinc/86/40/71/402864071.db2.gz HTXAMXDRJXEZLX-UHFFFAOYSA-N 0 3 301.390 2.053 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000278729664 402870111 /nfs/dbraw/zinc/87/01/11/402870111.db2.gz VPYPRUGAXVIHAW-SNVBAGLBSA-N 0 3 309.391 2.292 20 30 DEEDHN C[C@H](NCC1(N2CCOCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000278799819 402872718 /nfs/dbraw/zinc/87/27/18/402872718.db2.gz RCPZNFBYBRXOQT-ZDUSSCGKSA-N 0 3 303.381 2.213 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000264411966 402875994 /nfs/dbraw/zinc/87/59/94/402875994.db2.gz TXDDMQRUHXJKBZ-UHFFFAOYSA-N 0 3 312.417 2.398 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)CCOC3)CC1 ZINC000264479151 402882737 /nfs/dbraw/zinc/88/27/37/402882737.db2.gz KVOPUYARPNWQTM-UHFFFAOYSA-N 0 3 306.431 2.201 20 30 DEEDHN N#C[C@H]1CSCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000271698075 402883101 /nfs/dbraw/zinc/88/31/01/402883101.db2.gz GRRVPVRNEDXBMY-INIZCTEOSA-N 0 3 315.442 2.364 20 30 DEEDHN C[C@@H](O)CCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279412456 402940188 /nfs/dbraw/zinc/94/01/88/402940188.db2.gz NZLXNKARQZBULR-CQSZACIVSA-N 0 3 313.405 2.061 20 30 DEEDHN COc1ccccc1COC[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000272482049 402942363 /nfs/dbraw/zinc/94/23/63/402942363.db2.gz BDEMGYFJWCYZLM-MRXNPFEDSA-N 0 3 318.417 2.198 20 30 DEEDHN C#CCCOc1ccc(CN(C)[C@@H](C)CN2CCOCC2)cc1 ZINC000279435900 402942882 /nfs/dbraw/zinc/94/28/82/402942882.db2.gz OMMDKSZOWUWQQZ-KRWDZBQOSA-N 0 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ZINC000278004946 403278672 /nfs/dbraw/zinc/27/86/72/403278672.db2.gz AVFJPQWTDFUIHB-QAPCUYQASA-N 0 3 320.433 2.181 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C=O)cc2)CC1 ZINC000285239475 403279839 /nfs/dbraw/zinc/27/98/39/403279839.db2.gz BPHFBQFBXMKHEN-CQSZACIVSA-N 0 3 316.401 2.033 20 30 DEEDHN C=CCOCCN(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000338983274 403308928 /nfs/dbraw/zinc/30/89/28/403308928.db2.gz UXVTXSBWGBNCJB-GOSISDBHSA-N 0 3 318.461 2.412 20 30 DEEDHN CO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000331264437 403365055 /nfs/dbraw/zinc/36/50/55/403365055.db2.gz GPMNMQGQSBEWHG-AAEUAGOBSA-N 0 3 307.419 2.448 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CC(OCC)C2)C1 ZINC000285569751 403330566 /nfs/dbraw/zinc/33/05/66/403330566.db2.gz UBHLEABOBJQGTK-HJOIGYKYSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCOCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000342758396 403338302 /nfs/dbraw/zinc/33/83/02/403338302.db2.gz NRCQBDXTFIMUGD-IBGZPJMESA-N 0 3 314.429 2.314 20 30 DEEDHN CC1=CCN(CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000342850571 403371222 /nfs/dbraw/zinc/37/12/22/403371222.db2.gz NDSXHCOOSCGMMT-UHFFFAOYSA-N 0 3 301.350 2.113 20 30 DEEDHN CC1(C)C[C@H](NCC(=O)NCc2cccc(C#N)c2)C(C)(C)O1 ZINC000331295558 403372717 /nfs/dbraw/zinc/37/27/17/403372717.db2.gz NNTSCIFSXGIXIC-HNNXBMFYSA-N 0 3 315.417 2.110 20 30 DEEDHN C[C@H](CCC#N)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000298636808 403429333 /nfs/dbraw/zinc/42/93/33/403429333.db2.gz WKIJFJMYRWMPTA-GOSISDBHSA-N 0 3 314.477 2.428 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000285850470 403395253 /nfs/dbraw/zinc/39/52/53/403395253.db2.gz PFXKNTCWYBGCSN-DOTOQJQBSA-N 0 3 312.413 2.397 20 30 DEEDHN CC(C)[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCCO1 ZINC000293137932 403397993 /nfs/dbraw/zinc/39/79/93/403397993.db2.gz NHVITRPKUSPUSI-SJLPKXTDSA-N 0 3 318.417 2.045 20 30 DEEDHN CCOC[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000298538442 403407714 /nfs/dbraw/zinc/40/77/14/403407714.db2.gz MWNCTQAGKOPZKF-KGLIPLIRSA-N 0 3 321.446 2.376 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000345658553 403424091 /nfs/dbraw/zinc/42/40/91/403424091.db2.gz PCZNVCLSTSNQBE-RTBURBONSA-N 0 3 322.408 2.479 20 30 DEEDHN C[C@@H](O)CN(CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298628705 403427233 /nfs/dbraw/zinc/42/72/33/403427233.db2.gz VQNNLVSPBZUXHS-OAHLLOKOSA-N 0 3 310.397 2.400 20 30 DEEDHN CCN(CCN1CCCCCC1)C(=O)c1ccnc(C#N)c1 ZINC000332036029 403467050 /nfs/dbraw/zinc/46/70/50/403467050.db2.gz UMNSVTIDXMPKRZ-UHFFFAOYSA-N 0 3 300.406 2.291 20 30 DEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](N)CC(F)F ZINC000345807318 403492440 /nfs/dbraw/zinc/49/24/40/403492440.db2.gz OWTLOESGKVJTRN-LBPRGKRZSA-N 0 3 313.304 2.092 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000345757875 403470779 /nfs/dbraw/zinc/47/07/79/403470779.db2.gz IZEWDQCWTANKIL-CQSZACIVSA-N 0 3 320.396 2.420 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000345761515 403472845 /nfs/dbraw/zinc/47/28/45/403472845.db2.gz LEVXAFRRGOOAMI-MNOVXSKESA-N 0 3 320.780 2.072 20 30 DEEDHN COc1ccc(Cl)cc1CN1CCN(C(=O)C(C)C#N)CC1 ZINC000345810209 403492989 /nfs/dbraw/zinc/49/29/89/403492989.db2.gz FWSJMOLWGHSHEI-GFCCVEGCSA-N 0 3 321.808 2.152 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](C)[C@H]1CO ZINC000346308035 403584356 /nfs/dbraw/zinc/58/43/56/403584356.db2.gz KTRKXJHUABRPCL-CGTJXYLNSA-N 0 3 319.445 2.248 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(F)(C#N)CC1 ZINC000346330161 403585921 /nfs/dbraw/zinc/58/59/21/403585921.db2.gz VVBJADGXIULGTG-CYBMUJFWSA-N 0 3 310.417 2.144 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1sc(C)cc1OC(F)F ZINC000293905682 403595485 /nfs/dbraw/zinc/59/54/85/403595485.db2.gz FPFNEAVJHXCUNB-UHFFFAOYSA-N 0 3 316.373 2.343 20 30 DEEDHN Cc1cc(CN2CCC(N3CCCNC3=O)CC2)ccc1C#N ZINC000332380009 403565419 /nfs/dbraw/zinc/56/54/19/403565419.db2.gz GDMBFTRUJVDXBZ-UHFFFAOYSA-N 0 3 312.417 2.246 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346191002 403578485 /nfs/dbraw/zinc/57/84/85/403578485.db2.gz LZXDGMRNLGYNMN-UUAJXVIYSA-N 0 3 306.450 2.156 20 30 DEEDHN C=CCN1CCC(N[C@H](c2cccs2)c2nc[nH]n2)CC1 ZINC000293859075 403583465 /nfs/dbraw/zinc/58/34/65/403583465.db2.gz UMANEOQPBDICBV-CQSZACIVSA-N 0 3 303.435 2.196 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(C#N)cc3F)[C@@H]2C1 ZINC000566996407 292282443 /nfs/dbraw/zinc/28/24/43/292282443.db2.gz ZDEADROKHRVZSC-LZLYRXPVSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(SCC)cc1 ZINC000294093111 403645876 /nfs/dbraw/zinc/64/58/76/403645876.db2.gz XRVQKVHXVCWDHE-UHFFFAOYSA-N 0 3 304.459 2.412 20 30 DEEDHN CCc1nocc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000294020700 403626430 /nfs/dbraw/zinc/62/64/30/403626430.db2.gz NAJJVNDSBCGEMG-OAHLLOKOSA-N 0 3 322.368 2.450 20 30 DEEDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1cccc(C#N)c1 ZINC000343539079 403629105 /nfs/dbraw/zinc/62/91/05/403629105.db2.gz VFYKLBPKZMQISJ-HOTGVXAUSA-N 0 3 306.431 2.046 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CSCC#N)C1 ZINC000347249749 403636701 /nfs/dbraw/zinc/63/67/01/403636701.db2.gz NHHSRJRLIQLMIB-UKRRQHHQSA-N 0 3 303.431 2.195 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000294068308 403638882 /nfs/dbraw/zinc/63/88/82/403638882.db2.gz VOPKLYWCIKDHSP-UHFFFAOYSA-N 0 3 317.820 2.435 20 30 DEEDHN C=CCC[C@H](NCC1(OCCO)CCOCC1)c1ccco1 ZINC000287727739 403656344 /nfs/dbraw/zinc/65/63/44/403656344.db2.gz YFSCTJDZGADJGW-HNNXBMFYSA-N 0 3 309.406 2.435 20 30 DEEDHN CN(CCN1CCCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000340854202 403675152 /nfs/dbraw/zinc/67/51/52/403675152.db2.gz XAVLVLQANHYIPB-UHFFFAOYSA-N 0 3 311.389 2.136 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3oc(=O)[nH]c3c2)nc(C)n1 ZINC000347603228 403769919 /nfs/dbraw/zinc/76/99/19/403769919.db2.gz XXOUMQPJKCCMLP-NSHDSACASA-N 0 3 308.297 2.430 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000294369833 403715936 /nfs/dbraw/zinc/71/59/36/403715936.db2.gz QVLPRPVVZGNVOE-AWEZNQCLSA-N 0 3 314.433 2.038 20 30 DEEDHN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)[C@@H]1CC[C@H](C#N)C1 ZINC000294430815 403719675 /nfs/dbraw/zinc/71/96/75/403719675.db2.gz FABDNVLHRPHGAV-XQLPTFJDSA-N 0 3 303.385 2.017 20 30 DEEDHN CSc1ccc([C@H](CNC(=O)CSCC#N)N(C)C)cc1 ZINC000294646049 403723915 /nfs/dbraw/zinc/72/39/15/403723915.db2.gz DHAXIMKAJYNKKY-AWEZNQCLSA-N 0 3 323.487 2.384 20 30 DEEDHN C[C@H](NC[C@H](O)COCc1ccco1)c1ccc(C#N)cc1 ZINC000303053659 403746981 /nfs/dbraw/zinc/74/69/81/403746981.db2.gz WSAALECSYGHDGT-BBRMVZONSA-N 0 3 300.358 2.380 20 30 DEEDHN N=C(NCCC(=O)N1CCCCC1)Nc1cc(F)ccc1F ZINC000288718914 403762799 /nfs/dbraw/zinc/76/27/99/403762799.db2.gz LTFZCAZBYRFSJA-UHFFFAOYSA-N 0 3 310.348 2.094 20 30 DEEDHN N#CC(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccncn1 ZINC000354462289 403813708 /nfs/dbraw/zinc/81/37/08/403813708.db2.gz HHQMVZYVNQMSLP-CQSZACIVSA-N 0 3 306.325 2.315 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCN(C2CCOCC2)C[C@H]1C)OCC ZINC000347722254 403826678 /nfs/dbraw/zinc/82/66/78/403826678.db2.gz PBQNZSFZUZNVSG-WBVHZDCISA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2CO)CC1 ZINC000347628827 403782819 /nfs/dbraw/zinc/78/28/19/403782819.db2.gz JWMFVHGGFSYVPB-HNNXBMFYSA-N 0 3 316.445 2.124 20 30 DEEDHN N#CCCCOc1cccc(CNC[C@@]2(O)CCSC2)c1 ZINC000304654346 403798444 /nfs/dbraw/zinc/79/84/44/403798444.db2.gz UDXBJIIPSCGVFH-INIZCTEOSA-N 0 3 306.431 2.327 20 30 DEEDHN CN(CCC#N)C(=O)CCN1Cc2ccccc2OC(C)(C)C1 ZINC000289122040 403840763 /nfs/dbraw/zinc/84/07/63/403840763.db2.gz XBHMHYQRCNMTRL-UHFFFAOYSA-N 0 3 315.417 2.422 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1c(C)cccc1C ZINC000354532866 403860224 /nfs/dbraw/zinc/86/02/24/403860224.db2.gz BNDHXNRMSJWVEU-ZIAGYGMSSA-N 0 3 303.406 2.354 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Br)cc1C#N ZINC000295447580 403929345 /nfs/dbraw/zinc/92/93/45/403929345.db2.gz XCRUQLJSPORAKH-VIFPVBQESA-N 0 3 310.195 2.001 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)COC(C)(C)C ZINC000344134702 403932897 /nfs/dbraw/zinc/93/28/97/403932897.db2.gz ZAFRXYFEOVWWHQ-QGZVFWFLSA-N 0 3 320.433 2.183 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CC=CCC1 ZINC000362250001 403939445 /nfs/dbraw/zinc/93/94/45/403939445.db2.gz NOOMCRHMIKYPPG-MAUKXSAKSA-N 0 3 319.449 2.100 20 30 DEEDHN N#CCCN(C(=O)CN[C@H](CO)C1CCCC1)c1ccccc1 ZINC000289414656 403951533 /nfs/dbraw/zinc/95/15/33/403951533.db2.gz BLEOGEQQEWNAKO-QGZVFWFLSA-N 0 3 315.417 2.074 20 30 DEEDHN CCCN(CCN1CCCCC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411728242 403952585 /nfs/dbraw/zinc/95/25/85/403952585.db2.gz RIEOPOYQWZQTMA-INIZCTEOSA-N 0 3 320.481 2.135 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(C(F)F)CC2)CC1 ZINC000362476251 403958520 /nfs/dbraw/zinc/95/85/20/403958520.db2.gz HYINAEYQEBNMIZ-UHFFFAOYSA-N 0 3 301.381 2.324 20 30 DEEDHN C#Cc1ccc(CN[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000289967999 404011677 /nfs/dbraw/zinc/01/16/77/404011677.db2.gz BPVQDKDVOPRZAS-IBGZPJMESA-N 0 3 319.408 2.344 20 30 DEEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)[C@@H](CC)CO)C1=O ZINC000337201477 403973783 /nfs/dbraw/zinc/97/37/83/403973783.db2.gz FZTIVPUAWFXZRU-DLBZAZTESA-N 0 3 302.418 2.046 20 30 DEEDHN C=C(C)CCN1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000352015920 404080934 /nfs/dbraw/zinc/08/09/34/404080934.db2.gz TVWJTJVDIVHQAZ-UHFFFAOYSA-N 0 3 319.424 2.139 20 30 DEEDHN CCN(C)C(=O)[C@@H](NCCOc1ccc(C#N)cc1)C(C)C ZINC000296078232 404083550 /nfs/dbraw/zinc/08/35/50/404083550.db2.gz CIGJQOAOELPDHG-INIZCTEOSA-N 0 3 303.406 2.030 20 30 DEEDHN CC[C@H](C)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000295988672 404040046 /nfs/dbraw/zinc/04/00/46/404040046.db2.gz JTNBWEIYSURTDC-HNNXBMFYSA-N 0 3 314.433 2.303 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@@H](OCC)C23CCCCC3)C1=O ZINC000348153664 404045903 /nfs/dbraw/zinc/04/59/03/404045903.db2.gz DHZZSDJXQRLJJV-ARFHVFGLSA-N 0 3 306.450 2.491 20 30 DEEDHN C[C@@H]1[C@H](CO)CCCN1CCC(=O)Nc1sccc1C#N ZINC000412088476 404125505 /nfs/dbraw/zinc/12/55/05/404125505.db2.gz PLPDGVFZTAEEQK-YPMHNXCESA-N 0 3 307.419 2.041 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328756825 404143914 /nfs/dbraw/zinc/14/39/14/404143914.db2.gz UNVHZAIJWRLSRD-XBFCOCLRSA-N 0 3 320.437 2.014 20 30 DEEDHN C[C@@H](NC(=O)c1cscn1)C(=O)NCCN1CCCCC1 ZINC000328782994 404149529 /nfs/dbraw/zinc/14/95/29/404149529.db2.gz NIUCZRDZBKWLIQ-LLVKDONJSA-N 0 3 310.423 2.279 20 30 DEEDHN CN(C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)S(=O)(=O)C2CC2)C1 ZINC000328800757 404154105 /nfs/dbraw/zinc/15/41/05/404154105.db2.gz IRYUGGVWXINTEM-VXGBXAGGSA-N 0 3 316.467 2.172 20 30 DEEDHN C[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)S(C)(=O)=O ZINC000567343613 292306934 /nfs/dbraw/zinc/30/69/34/292306934.db2.gz XHWNKBKTPMZDHO-WBMJQRKESA-N 0 3 306.431 2.348 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000328939969 404179178 /nfs/dbraw/zinc/17/91/78/404179178.db2.gz DUMGNXQDMFNOCO-ZNMIVQPWSA-N 0 3 322.453 2.216 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CCCN1C ZINC000355082391 404206961 /nfs/dbraw/zinc/20/69/61/404206961.db2.gz MDMPEACFPYXTFD-CJNGLKHVSA-N 0 3 312.417 2.329 20 30 DEEDHN COCCN(C)CC[C@H](Nc1ccnc(C#N)c1)c1ccccc1 ZINC000341978804 404292408 /nfs/dbraw/zinc/29/24/08/404292408.db2.gz DISXOWVSVNDWQR-IBGZPJMESA-N 0 3 324.428 2.497 20 30 DEEDHN CN1CC=C(CNC(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000329220043 404268971 /nfs/dbraw/zinc/26/89/71/404268971.db2.gz SUTKSDXWJSGQLT-UHFFFAOYSA-N 0 3 302.374 2.219 20 30 DEEDHN Cc1noc([C@@H]2CCCCN2C(=O)N[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000329280328 404289802 /nfs/dbraw/zinc/28/98/02/404289802.db2.gz LZROAWGWDLHLHJ-BNOWGMLFSA-N 0 3 321.425 2.302 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)Cc1cccs1 ZINC000296525205 404290974 /nfs/dbraw/zinc/29/09/74/404290974.db2.gz PICGMOYFDSADFR-AWEZNQCLSA-N 0 3 307.463 2.181 20 30 DEEDHN C=C(C)COCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000355418264 404333089 /nfs/dbraw/zinc/33/30/89/404333089.db2.gz LEQVIXRICYLKBL-UHFFFAOYSA-N 0 3 319.449 2.353 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000296842020 404338241 /nfs/dbraw/zinc/33/82/41/404338241.db2.gz JIZSOPYCCZBYMT-MRXNPFEDSA-N 0 3 317.408 2.280 20 30 DEEDHN C=C(C)CN(C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000350024016 404297737 /nfs/dbraw/zinc/29/77/37/404297737.db2.gz XSOWRDWBWYXKDY-UHFFFAOYSA-N 0 3 305.426 2.498 20 30 DEEDHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1=CCN(C)CC1 ZINC000329318404 404299713 /nfs/dbraw/zinc/29/97/13/404299713.db2.gz IEZWJWZCHIYVCP-DZGCQCFKSA-N 0 3 319.449 2.384 20 30 DEEDHN Cc1nc(NC2CCN(CCN(C)C)CC2)c(Cl)cc1C#N ZINC000290921117 404359763 /nfs/dbraw/zinc/35/97/63/404359763.db2.gz HRKMKUAUAPQHPM-UHFFFAOYSA-N 0 3 321.856 2.353 20 30 DEEDHN C=C(Br)CN1CCC(CCN2CCOCC2)CC1 ZINC000364132082 404323469 /nfs/dbraw/zinc/32/34/69/404323469.db2.gz KRRFRBOPMSTFOH-UHFFFAOYSA-N 0 3 317.271 2.329 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1cc(C)cn1)C(C)C ZINC000344782442 404364436 /nfs/dbraw/zinc/36/44/36/404364436.db2.gz FKNVYTGJEMSSBC-INIZCTEOSA-N 0 3 304.438 2.006 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCC[C@H](C)C1 ZINC000355763314 404364630 /nfs/dbraw/zinc/36/46/30/404364630.db2.gz FNBLJIXDFWRUSY-LSDHHAIUSA-N 0 3 306.454 2.442 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)NCCN1CCC[C@H](C)C1)C2 ZINC000329540607 404370036 /nfs/dbraw/zinc/37/00/36/404370036.db2.gz WSJABUBTCBGQRJ-ZFWWWQNUSA-N 0 3 304.438 2.442 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](OCC)c1ccccc1 ZINC000296990296 404403660 /nfs/dbraw/zinc/40/36/60/404403660.db2.gz RQZWYMUIFHSNRM-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN CC[C@H](N[C@@H](CCSC)C(=O)NC)c1ccc(C#N)cc1 ZINC000352494931 404411520 /nfs/dbraw/zinc/41/15/20/404411520.db2.gz HBKKWIBOGKBXQL-GJZGRUSLSA-N 0 3 305.447 2.467 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N(CC#N)C2CCCC2)cc1 ZINC000356265006 404413421 /nfs/dbraw/zinc/41/34/21/404413421.db2.gz NPWSJAPWARMYSV-UHFFFAOYSA-N 0 3 321.446 2.205 20 30 DEEDHN C[C@@H](C(=O)NCc1nnc2ccccn21)N1CCCCCC1 ZINC000329695064 404426089 /nfs/dbraw/zinc/42/60/89/404426089.db2.gz BEYDRBLRGDZPPU-ZDUSSCGKSA-N 0 3 301.394 2.450 20 30 DEEDHN CO[C@]1(C)C[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C1(C)C ZINC000329937017 404500278 /nfs/dbraw/zinc/50/02/78/404500278.db2.gz DMAKBCOFBDMPFT-IIYDPXPESA-N 0 3 320.437 2.153 20 30 DEEDHN C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@H]1n1ccnc1 ZINC000329949041 404504100 /nfs/dbraw/zinc/50/41/00/404504100.db2.gz LFTKHMKVBNPLSU-KLHDSHLOSA-N 0 3 319.453 2.163 20 30 DEEDHN CCC1(CNC(=O)NC2CCN(C3CC3)CC2)CCOCC1 ZINC000329774669 404447481 /nfs/dbraw/zinc/44/74/81/404447481.db2.gz MKXUIOXTKJWFMV-UHFFFAOYSA-N 0 3 309.454 2.324 20 30 DEEDHN CC(C)[C@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)N(C)C ZINC000342462255 404591870 /nfs/dbraw/zinc/59/18/70/404591870.db2.gz NKFMYFNJXKNXEI-DLBZAZTESA-N 0 3 315.417 2.044 20 30 DEEDHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000330034348 404533426 /nfs/dbraw/zinc/53/34/26/404533426.db2.gz WICINJGYVKKSKW-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3cccc(F)c3O2)CC1 ZINC000364834342 404538709 /nfs/dbraw/zinc/53/87/09/404538709.db2.gz PJXJLFAYTNUEEB-MRXNPFEDSA-N 0 3 318.392 2.286 20 30 DEEDHN CN(C)[C@]1(CNC(=O)c2cccc3c2OCO3)CCSC1 ZINC000330057101 404540196 /nfs/dbraw/zinc/54/01/96/404540196.db2.gz WXIIVKKPTLWORK-HNNXBMFYSA-N 0 3 308.403 2.157 20 30 DEEDHN Cc1nccc(NC(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000330098092 404551263 /nfs/dbraw/zinc/55/12/63/404551263.db2.gz BLNLFUGGIORKMI-UHFFFAOYSA-N 0 3 303.410 2.281 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000345116581 404557728 /nfs/dbraw/zinc/55/77/28/404557728.db2.gz ONPMFTOXMSPCMN-OAHLLOKOSA-N 0 3 315.417 2.287 20 30 DEEDHN Cc1nnccc1NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000330146051 404565372 /nfs/dbraw/zinc/56/53/72/404565372.db2.gz HSWQXLQZXRORSG-SMDDNHRTSA-N 0 3 300.366 2.110 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365416042 404651749 /nfs/dbraw/zinc/65/17/49/404651749.db2.gz ZQYSGKFKNLBJHR-OAHLLOKOSA-N 0 3 307.438 2.030 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](n2cccn2)C1 ZINC000291976213 404608876 /nfs/dbraw/zinc/60/88/76/404608876.db2.gz VYLHULSEZYDJNS-HNNXBMFYSA-N 0 3 312.373 2.089 20 30 DEEDHN N#Cc1ncn(CCNCc2cscc2C(F)(F)F)n1 ZINC000352897502 404685636 /nfs/dbraw/zinc/68/56/36/404685636.db2.gz PCYPCORAWAOKNG-UHFFFAOYSA-N 0 3 301.297 2.020 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000357315185 404732961 /nfs/dbraw/zinc/73/29/61/404732961.db2.gz YAQRICZQZSIULQ-QGZVFWFLSA-N 0 3 302.418 2.216 20 30 DEEDHN C=C(C)COCCN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000358290408 404758761 /nfs/dbraw/zinc/75/87/61/404758761.db2.gz RFUROLPQYCVBCX-CYBMUJFWSA-N 0 3 312.435 2.301 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000375907698 404770233 /nfs/dbraw/zinc/77/02/33/404770233.db2.gz STLFIGLYJQWJPU-MSOLQXFVSA-N 0 3 322.412 2.142 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2cccc(O)c2)CC1 ZINC000358810783 404776604 /nfs/dbraw/zinc/77/66/04/404776604.db2.gz WNUSQCHQXVBFKV-CQSZACIVSA-N 0 3 317.433 2.273 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1Cc1ccccc1C ZINC000358943820 404779714 /nfs/dbraw/zinc/77/97/14/404779714.db2.gz BASLJOJGIVIXGC-INIZCTEOSA-N 0 3 315.417 2.014 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC(C3CCCC3)C2)cc1 ZINC000366505919 404805467 /nfs/dbraw/zinc/80/54/67/404805467.db2.gz QVKRACOHBVBUTD-KRWDZBQOSA-N 0 3 300.402 2.420 20 30 DEEDHN C=CCCCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000353346370 404809072 /nfs/dbraw/zinc/80/90/72/404809072.db2.gz NWWQMYIHZXBZOG-UHFFFAOYSA-N 0 3 309.454 2.097 20 30 DEEDHN N#Cc1cc2c(nc1NC[C@H]1CN3CCC[C@H]3CO1)CCCC2 ZINC000377167884 404834104 /nfs/dbraw/zinc/83/41/04/404834104.db2.gz GMWUMTICMNOHDV-HOTGVXAUSA-N 0 3 312.417 2.107 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000366835807 404855647 /nfs/dbraw/zinc/85/56/47/404855647.db2.gz ZZNLBHJMGVPISG-GOSISDBHSA-N 0 3 314.429 2.055 20 30 DEEDHN COCCCN(C(=O)c1cccc(C#N)c1)C1CCN(C)CC1 ZINC000291362715 292328040 /nfs/dbraw/zinc/32/80/40/292328040.db2.gz YUWFTWACFJWWFA-UHFFFAOYSA-N 0 3 315.417 2.131 20 30 DEEDHN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(C#N)s2)cn1 ZINC000378374651 404945972 /nfs/dbraw/zinc/94/59/72/404945972.db2.gz FPYONSPSYUGKPG-CZUORRHYSA-N 0 3 316.430 2.441 20 30 DEEDHN Cc1ccc(OC2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1 ZINC000424094263 405003388 /nfs/dbraw/zinc/00/33/88/405003388.db2.gz UBRJYGIRYKDQEW-QGZVFWFLSA-N 0 3 315.417 2.386 20 30 DEEDHN CCCC(=O)Nc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424096569 405004224 /nfs/dbraw/zinc/00/42/24/405004224.db2.gz YHONJOIVTNHRRT-OAHLLOKOSA-N 0 3 316.405 2.063 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OC(F)F)cc1 ZINC000424104883 405007267 /nfs/dbraw/zinc/00/72/67/405007267.db2.gz VCAJCFPLIFOIMT-GXFFZTMASA-N 0 3 311.332 2.486 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1CCc1ccccc1 ZINC000424108121 405008632 /nfs/dbraw/zinc/00/86/32/405008632.db2.gz ZVYBJRXKOFIFHE-OAHLLOKOSA-N 0 3 311.389 2.085 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000424106641 405009024 /nfs/dbraw/zinc/00/90/24/405009024.db2.gz XRXBIOILWKAZPA-JKSUJKDBSA-N 0 3 317.389 2.204 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC#N)c(Cl)c1 ZINC000424113866 405009916 /nfs/dbraw/zinc/00/99/16/405009916.db2.gz OYRXEQHRXVNLEC-LBPRGKRZSA-N 0 3 308.769 2.258 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424116364 405011778 /nfs/dbraw/zinc/01/17/78/405011778.db2.gz BIPNFTUAOAIFPI-TUAOUCFPSA-N 0 3 305.344 2.492 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1c(F)cccc1OC(F)F ZINC000424120889 405013086 /nfs/dbraw/zinc/01/30/86/405013086.db2.gz HVTTWSSZRLBMJF-NSHDSACASA-N 0 3 315.295 2.064 20 30 DEEDHN COc1ccc([C@H]2CCN(C(=O)[C@H](N)CCCC#N)C2)cc1 ZINC000424117427 405013497 /nfs/dbraw/zinc/01/34/97/405013497.db2.gz YRPJSEPIQHCGGX-GOEBONIOSA-N 0 3 301.390 2.032 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000424135152 405018717 /nfs/dbraw/zinc/01/87/17/405018717.db2.gz ZAUZOLAHWUKIDX-VIFPVBQESA-N 0 3 301.268 2.387 20 30 DEEDHN CC(C)n1c(CNC(=O)[C@@H](N)CCCC#N)nc2ccccc21 ZINC000424144537 405021724 /nfs/dbraw/zinc/02/17/24/405021724.db2.gz LOMHDBPSAGORLC-ZDUSSCGKSA-N 0 3 313.405 2.255 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000424164386 405026761 /nfs/dbraw/zinc/02/67/61/405026761.db2.gz CFKMGBIGLWFWFJ-BXUZGUMPSA-N 0 3 307.344 2.302 20 30 DEEDHN CCc1ccc([C@@H]2CN(C(=O)[C@H](N)CCCC#N)CCO2)cc1 ZINC000424173661 405029581 /nfs/dbraw/zinc/02/95/81/405029581.db2.gz OGWFVKZYRWXOCB-SJORKVTESA-N 0 3 315.417 2.170 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451425011 404991415 /nfs/dbraw/zinc/99/14/15/404991415.db2.gz TVSAGXRXDPCHDH-ORDFZIBCSA-N 0 3 321.465 2.055 20 30 DEEDHN COC[C@]1(CO)CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000451921355 405094228 /nfs/dbraw/zinc/09/42/28/405094228.db2.gz BSXRXUYREFISIW-GOSISDBHSA-N 0 3 302.418 2.319 20 30 DEEDHN COc1ccccc1CCNC(=O)CN[C@H]1CCC[C@H](C#N)C1 ZINC000436281789 405067754 /nfs/dbraw/zinc/06/77/54/405067754.db2.gz FJNGVFMOPRFBSJ-HOCLYGCPSA-N 0 3 315.417 2.026 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)C#N)CN1Cc1ccccc1 ZINC000354177665 405084100 /nfs/dbraw/zinc/08/41/00/405084100.db2.gz HXJFPVVEBYDGRU-GDBMZVCRSA-N 0 3 314.433 2.498 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416349837 405114833 /nfs/dbraw/zinc/11/48/33/405114833.db2.gz HGIXKFJPKBOWOS-CABCVRRESA-N 0 3 321.371 2.215 20 30 DEEDHN C[C@@H](C#N)S(=O)(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000416377188 405124870 /nfs/dbraw/zinc/12/48/70/405124870.db2.gz WVUCRSQFBWKOAY-AWEZNQCLSA-N 0 3 313.467 2.007 20 30 DEEDHN C[C@]12CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452051743 405143790 /nfs/dbraw/zinc/14/37/90/405143790.db2.gz ZRXDLSMTIXFTLR-MUQADHOPSA-N 0 3 314.433 2.010 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ncc(C#N)cc1Cl ZINC000408390753 405195007 /nfs/dbraw/zinc/19/50/07/405195007.db2.gz ZCHAPXCUZADHSP-GXFFZTMASA-N 0 3 306.797 2.019 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000437504080 405203050 /nfs/dbraw/zinc/20/30/50/405203050.db2.gz TVDRXYSFFVGYMH-IRXDYDNUSA-N 0 3 302.418 2.459 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(CCO)C1CCC1 ZINC000439285184 405273892 /nfs/dbraw/zinc/27/38/92/405273892.db2.gz NVYNZTUQEWKGJU-KRWDZBQOSA-N 0 3 305.418 2.002 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425065237 405242295 /nfs/dbraw/zinc/24/22/95/405242295.db2.gz KNUHWXISJCPRND-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000438442054 405246945 /nfs/dbraw/zinc/24/69/45/405246945.db2.gz IFDCPEMIHGITGM-HZPDHXFCSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCCCC(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000426893781 405382251 /nfs/dbraw/zinc/38/22/51/405382251.db2.gz KGWORMYIHYQISE-OAHLLOKOSA-N 0 3 306.406 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C)nc(C)c2)CC1 ZINC000420909747 405403139 /nfs/dbraw/zinc/40/31/39/405403139.db2.gz GEOXWNMKBFTKAS-UHFFFAOYSA-N 0 3 302.422 2.148 20 30 DEEDHN C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C ZINC000455422713 405407454 /nfs/dbraw/zinc/40/74/54/405407454.db2.gz ARPCNHKNFUBSRI-AWEZNQCLSA-N 0 3 312.417 2.307 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCCc2ccccc21 ZINC000429706604 405444139 /nfs/dbraw/zinc/44/41/39/405444139.db2.gz GOLDQIXXJKJCIH-UHFFFAOYSA-N 0 3 315.461 2.406 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(OC)cc1 ZINC000429709905 405444831 /nfs/dbraw/zinc/44/48/31/405444831.db2.gz SVARZKFKMHQPDF-UHFFFAOYSA-N 0 3 305.422 2.073 20 30 DEEDHN N#Cc1ncc(NC(=O)NC2CCN(C3CC3)CC2)cc1Cl ZINC000455759826 405447914 /nfs/dbraw/zinc/44/79/14/405447914.db2.gz SETBIZLXPGCQBU-UHFFFAOYSA-N 0 3 319.796 2.355 20 30 DEEDHN CCN1CCC[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455799320 405451678 /nfs/dbraw/zinc/45/16/78/405451678.db2.gz XOSURCBUFUQYBX-JTQLQIEISA-N 0 3 307.785 2.212 20 30 DEEDHN CC(C)[C@H](CNCc1ccc(C#N)c(F)c1)N1CCN(C)CC1 ZINC000421332012 405464887 /nfs/dbraw/zinc/46/48/87/405464887.db2.gz KZADDMOROJKRTP-SFHVURJKSA-N 0 3 318.440 2.059 20 30 DEEDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)c(F)c2)cn1 ZINC000421349009 405466419 /nfs/dbraw/zinc/46/64/19/405466419.db2.gz XBDZOGGUJQXXGV-DLBZAZTESA-N 0 3 314.364 2.441 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cnc(C)s2)CC1 ZINC000492059051 405472858 /nfs/dbraw/zinc/47/28/58/405472858.db2.gz QSIRFMUFHYKHMD-AATRIKPKSA-N 0 3 303.431 2.069 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCN(c2ccccc2OC)C1=O ZINC000556329771 405474984 /nfs/dbraw/zinc/47/49/84/405474984.db2.gz HQTWBIIYGNFJNT-YCPHGPKFSA-N 0 3 316.401 2.124 20 30 DEEDHN Cn1nccc1N1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000421384699 405481788 /nfs/dbraw/zinc/48/17/88/405481788.db2.gz KRGWUHLOKJSVND-HNNXBMFYSA-N 0 3 313.380 2.189 20 30 DEEDHN Cn1cc(Cl)c(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000456124570 405508057 /nfs/dbraw/zinc/50/80/57/405508057.db2.gz KCHMFFFSERYOBN-CYBMUJFWSA-N 0 3 316.792 2.462 20 30 DEEDHN N#CC1(CCN2CC[C@H](NC(=O)NC3CC3)C2)CCCCC1 ZINC000556814294 405539125 /nfs/dbraw/zinc/53/91/25/405539125.db2.gz WDCQUYNGKXPWCZ-HNNXBMFYSA-N 0 3 304.438 2.386 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000580523618 405632737 /nfs/dbraw/zinc/63/27/37/405632737.db2.gz IALAZIWOOVJMFH-NEPJUHHUSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nn(C)c(C)c2Cl)CC1 ZINC000421769254 405638436 /nfs/dbraw/zinc/63/84/36/405638436.db2.gz RAFHIIKZUAJTPC-UHFFFAOYSA-N 0 3 310.829 2.152 20 30 DEEDHN C[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCC1(F)F ZINC000528503269 405639348 /nfs/dbraw/zinc/63/93/48/405639348.db2.gz JXARLRDEGGJCPW-GXTWGEPZSA-N 0 3 310.344 2.275 20 30 DEEDHN COCCN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[C@@H](C)C1 ZINC000580552079 405641578 /nfs/dbraw/zinc/64/15/78/405641578.db2.gz OUEFWOWIMDAOQP-CJNGLKHVSA-N 0 3 313.405 2.238 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@]2(C)CCO[C@H]2C)c(C#N)c1C ZINC000494271398 405671485 /nfs/dbraw/zinc/67/14/85/405671485.db2.gz PRAFSUIXCVLBNJ-PKWAYOAASA-N 0 3 305.378 2.252 20 30 DEEDHN CC[C@H]1CN(CCN[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000494438245 405696775 /nfs/dbraw/zinc/69/67/75/405696775.db2.gz QEQSTUGULULOSQ-ZFWWWQNUSA-N 0 3 305.397 2.459 20 30 DEEDHN Cc1cnc(CCNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000457159925 405728700 /nfs/dbraw/zinc/72/87/00/405728700.db2.gz AFHGSOIGODRWNS-MRXNPFEDSA-N 0 3 308.385 2.216 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000450075577 405729454 /nfs/dbraw/zinc/72/94/54/405729454.db2.gz QEKROQBPBBIDPM-CABCVRRESA-N 0 3 308.447 2.229 20 30 DEEDHN COCc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1C#N ZINC000529211218 405752487 /nfs/dbraw/zinc/75/24/87/405752487.db2.gz FJUSSAPXTSMJPV-INIZCTEOSA-N 0 3 314.389 2.017 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000450323373 405833932 /nfs/dbraw/zinc/83/39/32/405833932.db2.gz HKUBRXMCIUJSOH-KSSFIOAISA-N 0 3 312.417 2.306 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000495645479 405927315 /nfs/dbraw/zinc/92/73/15/405927315.db2.gz SXUXSNXAHVGLEN-MELADBBJSA-N 0 3 321.421 2.252 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495635364 405927370 /nfs/dbraw/zinc/92/73/70/405927370.db2.gz RINVIMUKMIZPHI-OCCSQVGLSA-N 0 3 307.394 2.196 20 30 DEEDHN CN(C[C@H]1CCCN1CCOCCC#N)C(=O)OC(C)(C)C ZINC000495792883 405935283 /nfs/dbraw/zinc/93/52/83/405935283.db2.gz HLUWCXFCFVHYCO-CQSZACIVSA-N 0 3 311.426 2.248 20 30 DEEDHN C=CCOc1cccc(NS(=O)(=O)CCCN2CCCC2)c1 ZINC000632183493 406037011 /nfs/dbraw/zinc/03/70/11/406037011.db2.gz UVKSHCOJJPHQMK-UHFFFAOYSA-N 0 3 324.446 2.479 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C12CCC2 ZINC000459740693 406027793 /nfs/dbraw/zinc/02/77/93/406027793.db2.gz BODDJWBTNDXLCW-APHBMKBZSA-N 0 3 313.401 2.432 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN(C)C2(CCCCC2)C1 ZINC000566423598 406088511 /nfs/dbraw/zinc/08/85/11/406088511.db2.gz DVQLCZGKZSCERL-UHFFFAOYSA-N 0 3 307.482 2.361 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000566903263 406092443 /nfs/dbraw/zinc/09/24/43/406092443.db2.gz ZWKHVSCRUDPTQJ-YOEHRIQHSA-N 0 3 315.417 2.435 20 30 DEEDHN CCC(CC)[C@@H](CNC[C@H](C#N)CCC#N)N1CCOCC1 ZINC000567103895 406094246 /nfs/dbraw/zinc/09/42/46/406094246.db2.gz XOJCROMYJKFEQP-DOTOQJQBSA-N 0 3 306.454 2.157 20 30 DEEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCC2 ZINC000459771194 406039436 /nfs/dbraw/zinc/03/94/36/406039436.db2.gz RNGQTRSHNYRYLK-UONOGXRCSA-N 0 3 317.389 2.254 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000459775129 406041317 /nfs/dbraw/zinc/04/13/17/406041317.db2.gz MFJNKMIUQIRNNO-GDLCADMTSA-N 0 3 305.378 2.252 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1C[C@H](O)C1(C)C ZINC000565166771 406070320 /nfs/dbraw/zinc/07/03/20/406070320.db2.gz UYKXSZTVENMHFL-CFVMTHIKSA-N 0 3 322.474 2.400 20 30 DEEDHN Cc1noc([C@H](C)N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000569137856 406225216 /nfs/dbraw/zinc/22/52/16/406225216.db2.gz OXFWZBHBEJAQAT-XHDPSFHLSA-N 0 3 323.356 2.152 20 30 DEEDHN CC(C)[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CCN1C ZINC000488056866 406290416 /nfs/dbraw/zinc/29/04/16/406290416.db2.gz VICFVGAWQIBCRA-QGZVFWFLSA-N 0 3 314.433 2.159 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(CC#N)cc1 ZINC000488708370 406338884 /nfs/dbraw/zinc/33/88/84/406338884.db2.gz ZWYZCLISBYOGDS-MRXNPFEDSA-N 0 3 313.445 2.438 20 30 DEEDHN C=CCc1cc(CN2CC[C@@H](c3nnc[nH]3)C2)cc(OC)c1O ZINC000520571071 406302397 /nfs/dbraw/zinc/30/23/97/406302397.db2.gz XHDXIKNVBULUEB-CQSZACIVSA-N 0 3 314.389 2.237 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(c3ccc(OC)cc3)CC2)CC1 ZINC000490638487 406477610 /nfs/dbraw/zinc/47/76/10/406477610.db2.gz XDCHOVSLKKQXMI-UHFFFAOYSA-N 0 3 312.413 2.146 20 30 DEEDHN N#CC1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000571111475 406479570 /nfs/dbraw/zinc/47/95/70/406479570.db2.gz QRIMLFUXKGYVSA-CYBMUJFWSA-N 0 3 318.446 2.488 20 30 DEEDHN C[C@]12CN([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000570898787 406450352 /nfs/dbraw/zinc/45/03/52/406450352.db2.gz NOPNFPFLLGCHQB-DIKXUDHVSA-N 0 3 309.413 2.453 20 30 DEEDHN C#CCN(C)CCCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000491165888 406536218 /nfs/dbraw/zinc/53/62/18/406536218.db2.gz NYPCXCSTMZXBIH-SFHVURJKSA-N 0 3 312.392 2.250 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000491228608 406549188 /nfs/dbraw/zinc/54/91/88/406549188.db2.gz AXWWJRFDNDONOR-UYAOXDASSA-N 0 3 310.441 2.352 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn([C@H](C)CC)c2C)CC1 ZINC000491289120 406561411 /nfs/dbraw/zinc/56/14/11/406561411.db2.gz WTGHDDAYLADTJZ-CYBMUJFWSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000490897636 406504535 /nfs/dbraw/zinc/50/45/35/406504535.db2.gz DJIAVHPWCMSBFY-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCn2ccnc2)cc1 ZINC000525964713 406524365 /nfs/dbraw/zinc/52/43/65/406524365.db2.gz PQNHQISVCRIOBC-QGZVFWFLSA-N 0 3 321.384 2.034 20 30 DEEDHN COC(=O)c1cccc(CN[C@H](C2CC2)C(C)(C)CO)c1C#N ZINC000550461279 406603193 /nfs/dbraw/zinc/60/31/93/406603193.db2.gz FQTKLFIGAZHBNA-MRXNPFEDSA-N 0 3 316.401 2.232 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000527317696 406616264 /nfs/dbraw/zinc/61/62/64/406616264.db2.gz ICQMXORDKYZWKS-IAGOWNOFSA-N 0 3 323.396 2.458 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC)cc1OCCC ZINC000491352303 406575066 /nfs/dbraw/zinc/57/50/66/406575066.db2.gz ZCBJGWNMKOJVIJ-UHFFFAOYSA-N 0 3 318.417 2.169 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC(F)(F)F)C(C)C ZINC000491427987 406591283 /nfs/dbraw/zinc/59/12/83/406591283.db2.gz MWFPJZDJSVXQGJ-LBPRGKRZSA-N 0 3 307.360 2.218 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000491664284 406657359 /nfs/dbraw/zinc/65/73/59/406657359.db2.gz SHXRPJSAHZYYPY-BUHFOSPRSA-N 0 3 315.373 2.069 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3cc[nH]c(=O)c3c2)CC1 ZINC000491672002 406661449 /nfs/dbraw/zinc/66/14/49/406661449.db2.gz OKYPMATZVXSQAF-UHFFFAOYSA-N 0 3 309.369 2.224 20 30 DEEDHN N#Cc1ncn(CCN[C@@H]2CCCc3ccc(Cl)cc32)n1 ZINC000552338919 406703899 /nfs/dbraw/zinc/70/38/99/406703899.db2.gz SUJJTVILCJCNFS-CQSZACIVSA-N 0 3 301.781 2.470 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2cc(C)ccc2F)CC1 ZINC000491682665 406667612 /nfs/dbraw/zinc/66/76/12/406667612.db2.gz UABUVICPDHBNTA-UHFFFAOYSA-N 0 3 302.393 2.138 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1cc(C)ccc1OC ZINC000491759952 406704296 /nfs/dbraw/zinc/70/42/96/406704296.db2.gz OWSJGECSZHGKHG-CSKARUKUSA-N 0 3 300.402 2.088 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(F)cc1F ZINC000491727957 406689734 /nfs/dbraw/zinc/68/97/34/406689734.db2.gz MBYQLKADQIIERQ-UHFFFAOYSA-N 0 3 309.360 2.061 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000491729394 406691703 /nfs/dbraw/zinc/69/17/03/406691703.db2.gz JQPAYUFJIXSLQL-FUHWJXTLSA-N 0 3 300.377 2.085 20 30 DEEDHN C#CCNC(=O)CCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000491736528 406694203 /nfs/dbraw/zinc/69/42/03/406694203.db2.gz AYMHDSCCSLWWQV-GOSISDBHSA-N 0 3 314.429 2.010 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1sc(C)nc1C ZINC000491633388 406641319 /nfs/dbraw/zinc/64/13/19/406641319.db2.gz PSZIMJUVMWRPGA-CYBMUJFWSA-N 0 3 322.478 2.417 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000491818710 406735502 /nfs/dbraw/zinc/73/55/02/406735502.db2.gz ZMZTYWFLJIYWJJ-INIZCTEOSA-N 0 3 321.852 2.014 20 30 DEEDHN COc1cc(CN[C@@]2(CO)COc3ccccc3C2)ccc1C#N ZINC000527769364 406744081 /nfs/dbraw/zinc/74/40/81/406744081.db2.gz MIQZDXYZZHUSPW-IBGZPJMESA-N 0 3 324.380 2.023 20 30 DEEDHN N#Cc1ccc(CN[C@]2(CO)COc3ccccc3C2)s1 ZINC000527769514 406744607 /nfs/dbraw/zinc/74/46/07/406744607.db2.gz QLQYUTRYDLBWQF-MRXNPFEDSA-N 0 3 300.383 2.076 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000491785436 406718808 /nfs/dbraw/zinc/71/88/08/406718808.db2.gz RERIIJNQBRCOHG-MRXNPFEDSA-N 0 3 315.417 2.073 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC2(C[C@@H]1C)CCOCC2 ZINC000646101157 406779663 /nfs/dbraw/zinc/77/96/63/406779663.db2.gz XSGUJYVTKSEBSO-JKSUJKDBSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cccc(F)c2)CC1 ZINC000491911069 406774999 /nfs/dbraw/zinc/77/49/99/406774999.db2.gz ZNDWSPBPCIUFDI-BQYQJAHWSA-N 0 3 300.377 2.443 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000573678778 406775792 /nfs/dbraw/zinc/77/57/92/406775792.db2.gz KIWCARRYIUHGDT-ZACQAIPSSA-N 0 3 317.433 2.322 20 30 DEEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1cccc(-n2cccn2)c1 ZINC000553878212 406776171 /nfs/dbraw/zinc/77/61/71/406776171.db2.gz DSAODCWPFJANRT-AWEZNQCLSA-N 0 3 323.400 2.085 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(C#N)cn1)c1ccco1 ZINC000554634069 406819603 /nfs/dbraw/zinc/81/96/03/406819603.db2.gz LEKAETSKNKFYMC-WFASDCNBSA-N 0 3 312.373 2.405 20 30 DEEDHN C=CCn1cc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)nn1 ZINC000647767487 407048963 /nfs/dbraw/zinc/04/89/63/407048963.db2.gz NEYCKRDVNQLFLV-OAHLLOKOSA-N 0 3 313.405 2.017 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000643901950 407061284 /nfs/dbraw/zinc/06/12/84/407061284.db2.gz YBMQJXYEBGJGPU-QEJZJMRPSA-N 0 3 302.353 2.214 20 30 DEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CNCCC1(F)F ZINC000643983091 407069103 /nfs/dbraw/zinc/06/91/03/407069103.db2.gz MSYSWWMZPKMKFJ-HNNXBMFYSA-N 0 3 308.372 2.489 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000648293101 407153682 /nfs/dbraw/zinc/15/36/82/407153682.db2.gz LOQPOIFXTLPVBU-KRWDZBQOSA-N 0 3 314.429 2.394 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000329757281 287346885 /nfs/dbraw/zinc/34/68/85/287346885.db2.gz MTZLYILBVDIAFS-FRFSOERESA-N 0 3 309.454 2.180 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CSCC#N ZINC000267275092 225353438 /nfs/dbraw/zinc/35/34/38/225353438.db2.gz BBOAOHOZFFXZKW-GOEBONIOSA-N 0 3 317.458 2.270 20 30 DEEDHN C[C@H](CO)N(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000330569017 226015479 /nfs/dbraw/zinc/01/54/79/226015479.db2.gz DJPSLPAKXNZRKT-FMKPAKJESA-N 0 3 305.422 2.049 20 30 DEEDHN Cc1noc(C(C)C)c1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000330398924 226002237 /nfs/dbraw/zinc/00/22/37/226002237.db2.gz QXJRVGWKJFIUQQ-ZDUSSCGKSA-N 0 3 322.453 2.295 20 30 DEEDHN C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)C1=CCN(C)CC1 ZINC000330758257 226028473 /nfs/dbraw/zinc/02/84/73/226028473.db2.gz FJCZQRKOWGSKHB-GFCCVEGCSA-N 0 3 316.380 2.351 20 30 DEEDHN Cc1ccc(NC(=O)NCC2(O)CCN(C)CC2)cc1Cl ZINC000330827295 226034344 /nfs/dbraw/zinc/03/43/44/226034344.db2.gz SBVOMOYNDPIPGC-UHFFFAOYSA-N 0 3 311.813 2.431 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(CS(C)(=O)=O)c2)CCN1C ZINC000330897073 226042186 /nfs/dbraw/zinc/04/21/86/226042186.db2.gz HGDDYIKCXDDMRO-DOMZBBRYSA-N 0 3 324.446 2.019 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000331025918 226052444 /nfs/dbraw/zinc/05/24/44/226052444.db2.gz WFSSUKKLUZAWDN-ZIAGYGMSSA-N 0 3 310.442 2.412 20 30 DEEDHN Cc1nccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000331190946 226067308 /nfs/dbraw/zinc/06/73/08/226067308.db2.gz WTCKNZFCBJPUPL-UHFFFAOYSA-N 0 3 305.426 2.384 20 30 DEEDHN COc1ncc(C)cc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000331286346 226076623 /nfs/dbraw/zinc/07/66/23/226076623.db2.gz NKQJSADUUZDIEN-HNNXBMFYSA-N 0 3 324.450 2.162 20 30 DEEDHN C[C@H](O)CC(C)(C)CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000331296483 226076760 /nfs/dbraw/zinc/07/67/60/226076760.db2.gz AGZZQUPBBUWRQN-KBPBESRZSA-N 0 3 313.486 2.408 20 30 DEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(CC#N)cc1 ZINC000331308903 226079441 /nfs/dbraw/zinc/07/94/41/226079441.db2.gz XPOYCDBSCZVTAW-OAHLLOKOSA-N 0 3 301.434 2.030 20 30 DEEDHN Cc1cc(CN(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)no1 ZINC000331327907 226081268 /nfs/dbraw/zinc/08/12/68/226081268.db2.gz PTDYQRXMJRREKC-CQSZACIVSA-N 0 3 308.426 2.449 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCc2ccc(NC(=O)[C@H](C)C#N)cc21 ZINC000337619765 226139711 /nfs/dbraw/zinc/13/97/11/226139711.db2.gz NPZPBKWACXKHRB-BFQNTYOBSA-N 0 3 324.384 2.438 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](O)c2ccccc2)CC1 ZINC000291013844 222071726 /nfs/dbraw/zinc/07/17/26/222071726.db2.gz NJYFTFPZJZTXPJ-YOEHRIQHSA-N 0 3 317.433 2.058 20 30 DEEDHN CN(C)CCOc1cnccc1CNc1ncc(C#N)cc1F ZINC000413305950 228304957 /nfs/dbraw/zinc/30/49/57/228304957.db2.gz WLRBWSSLLUOYFT-UHFFFAOYSA-N 0 3 315.352 2.040 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413913115 228396026 /nfs/dbraw/zinc/39/60/26/228396026.db2.gz JUWJDHJUNVWTCP-BZNIZROVSA-N 0 3 305.353 2.254 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C)c(C#N)cn1 ZINC000603121771 422448623 /nfs/dbraw/zinc/44/86/23/422448623.db2.gz STLMGISIXQAJDE-CQSZACIVSA-N 0 3 301.394 2.258 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2sccc2C#N)C12CCC2 ZINC000296251404 266294215 /nfs/dbraw/zinc/29/42/15/266294215.db2.gz NUJUYSQDHNRCGE-CHWSQXEVSA-N 0 3 319.430 2.496 20 30 DEEDHN CCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000195324964 424882353 /nfs/dbraw/zinc/88/23/53/424882353.db2.gz QIKARNQBZBJYBH-CABCVRRESA-N 0 3 302.484 2.455 20 30 DEEDHN Cc1cc(CNc2ccn(C3CCN(C)CC3)n2)ccc1C#N ZINC000567166420 424913267 /nfs/dbraw/zinc/91/32/67/424913267.db2.gz SVCDWIUQDXKKGP-UHFFFAOYSA-N 0 3 309.417 2.942 20 30 DEEDHN C[C@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CCN1Cc1ccccc1 ZINC000574052775 424941999 /nfs/dbraw/zinc/94/19/99/424941999.db2.gz BGTMVOQLHZZDKA-WMLDXEAASA-N 0 3 321.428 3.000 20 30 DEEDHN CCCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1cc(C)on1 ZINC000424132337 424991646 /nfs/dbraw/zinc/99/16/46/424991646.db2.gz WGEICYIGULETRU-BFHYXJOUSA-N 0 3 304.394 2.762 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000424127047 424991698 /nfs/dbraw/zinc/99/16/98/424991698.db2.gz PRUZHHIMEATXRK-ZDUSSCGKSA-N 0 3 303.410 2.807 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@@H](c2ccc(C)cc2)N(C)C)n1 ZINC000596092264 425017837 /nfs/dbraw/zinc/01/78/37/425017837.db2.gz MXNFIWOMICPFEN-INIZCTEOSA-N 0 3 309.417 2.934 20 30 DEEDHN C[C@@H]1CCCN(CCNc2ncc(Br)cc2C#N)C1 ZINC000450260080 425067199 /nfs/dbraw/zinc/06/71/99/425067199.db2.gz ZPNYRIXFMIAIGD-LLVKDONJSA-N 0 3 323.238 2.860 20 30 DEEDHN C=CCN1CCC(Nc2nc3ccccc3c(N(C)C)n2)CC1 ZINC000450315053 425068878 /nfs/dbraw/zinc/06/88/78/425068878.db2.gz CVHUZDHBZVMMTD-UHFFFAOYSA-N 0 3 311.433 2.758 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N2CC3CC2(C3)C1=O)C(C)C ZINC000656807371 425197254 /nfs/dbraw/zinc/19/72/54/425197254.db2.gz XTMGIVSNIDDFOZ-SWKXRBFHSA-N 0 3 317.433 2.112 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NCCCCN1CCN(CC)CC1 ZINC000663654036 425205189 /nfs/dbraw/zinc/20/51/89/425205189.db2.gz FGNIXVZNSBWQQQ-UHFFFAOYSA-N 0 3 324.513 2.448 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654317377 425326799 /nfs/dbraw/zinc/32/67/99/425326799.db2.gz GXYKBEWWCZOEJE-HUUCEWRRSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCN(CCc1c(C)nc2sccn2c1=O)[C@@H](C)COC ZINC000661240350 425358745 /nfs/dbraw/zinc/35/87/45/425358745.db2.gz NMJAWNCUELIEPS-LBPRGKRZSA-N 0 3 321.446 2.130 20 30 DEEDHN C=CCc1cc(CNC[C@H](OC)[C@H]2CCOC2)cc(OC)c1O ZINC000657540965 425360283 /nfs/dbraw/zinc/36/02/83/425360283.db2.gz IQPMTXHSRQNAEP-RDJZCZTQSA-N 0 3 321.417 2.270 20 30 DEEDHN C=CC[C@H]1CCCN([C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000661379724 425395538 /nfs/dbraw/zinc/39/55/38/425395538.db2.gz HIYCSYMOOXKPEQ-LSDHHAIUSA-N 0 3 302.422 2.204 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000664760093 425450459 /nfs/dbraw/zinc/45/04/59/425450459.db2.gz WSVUHBMNHOQIGE-YESZJQIVSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CCCNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000658386838 425478111 /nfs/dbraw/zinc/47/81/11/425478111.db2.gz XOABVAOYSARNFP-UHFFFAOYSA-N 0 3 303.406 2.159 20 30 DEEDHN C=CCOCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659040308 425524535 /nfs/dbraw/zinc/52/45/35/425524535.db2.gz LNMHQXLHPXWZGC-MRXNPFEDSA-N 0 3 319.405 2.062 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000659094324 425527659 /nfs/dbraw/zinc/52/76/59/425527659.db2.gz JKJRBMILNHNZNW-CQSZACIVSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C[C@H](CO)NC[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000662167495 425580281 /nfs/dbraw/zinc/58/02/81/425580281.db2.gz GLQGOTPTASTECX-QZTJIDSGSA-N 0 3 313.397 2.230 20 30 DEEDHN C=CCCn1cc(CN2CCNC[C@@H]2c2cccc(F)c2)nn1 ZINC000655939646 425692081 /nfs/dbraw/zinc/69/20/81/425692081.db2.gz SNOOELWYTVCKOV-QGZVFWFLSA-N 0 3 315.396 2.140 20 30 DEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CN(C)C(=O)O1 ZINC000495733026 269172999 /nfs/dbraw/zinc/17/29/99/269172999.db2.gz YXKCHPFLLYRXPY-INIZCTEOSA-N 0 3 301.390 2.467 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1F ZINC000515073713 269343057 /nfs/dbraw/zinc/34/30/57/269343057.db2.gz SDQOWDLIKSBZHG-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN CC[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000517024778 269375124 /nfs/dbraw/zinc/37/51/24/269375124.db2.gz CQKPUJHOTQOMQL-HIFRSBDPSA-N 0 3 321.446 2.285 20 30 DEEDHN CC(C)CN(CCN1CCOCC1)Cc1ccc(C#N)cc1 ZINC000340683512 277380286 /nfs/dbraw/zinc/38/02/86/277380286.db2.gz MAYLHDCLALGAIF-UHFFFAOYSA-N 0 3 301.434 2.348 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)CC(=O)OC)C(C)C ZINC000268234148 277852095 /nfs/dbraw/zinc/85/20/95/277852095.db2.gz VIKRXRVYWMLJMR-LSDHHAIUSA-N 0 3 310.438 2.000 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@@H]1N1CCCC1 ZINC000361637902 278152607 /nfs/dbraw/zinc/15/26/07/278152607.db2.gz LBWYULWYGDIBNX-GXTWGEPZSA-N 0 3 321.471 2.272 20 30 DEEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328818068 278159439 /nfs/dbraw/zinc/15/94/39/278159439.db2.gz GYEQNFHZZFSHHP-DGCLKSJQSA-N 0 3 309.410 2.156 20 30 DEEDHN CC1(C#N)CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000333398291 278170729 /nfs/dbraw/zinc/17/07/29/278170729.db2.gz DZXLVFBYKCGPHA-OAHLLOKOSA-N 0 3 304.438 2.339 20 30 DEEDHN C[C@H](CNC(=O)NCC1(CC#N)CC1)N(C)Cc1ccccc1 ZINC000430699470 279334439 /nfs/dbraw/zinc/33/44/39/279334439.db2.gz IHROCAGBADNTGI-OAHLLOKOSA-N 0 3 314.433 2.500 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)N1CCCC1=O ZINC000329819829 280133929 /nfs/dbraw/zinc/13/39/29/280133929.db2.gz XYWQEIZBZPYSNZ-XNRPHZJLSA-N 0 3 307.438 2.073 20 30 DEEDHN CC[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000286886913 280190388 /nfs/dbraw/zinc/19/03/88/280190388.db2.gz CUUQITAUWYPGKJ-GDBMZVCRSA-N 0 3 306.431 2.424 20 30 DEEDHN CC[C@](C)(C#N)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351816428 281282307 /nfs/dbraw/zinc/28/23/07/281282307.db2.gz RCVKEBPIZXSBEV-RVKKMQEKSA-N 0 3 321.465 2.274 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1(C)C ZINC000329218577 294007993 /nfs/dbraw/zinc/00/79/93/294007993.db2.gz RVQHVJLFPXIOHN-SIJPQNPESA-N 0 3 309.454 2.175 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](CCO)C(C)C)c(C#N)c1C ZINC000358802034 294038967 /nfs/dbraw/zinc/03/89/67/294038967.db2.gz CSBQTXCKHFZXAS-SMDDNHRTSA-N 0 3 307.394 2.092 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001479969618 1151255322 /nfs/dbraw/zinc/25/53/22/1151255322.db2.gz GSFPMNHURRGDSN-AWEZNQCLSA-N 0 3 322.428 2.418 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)COCC1CC1)C2 ZINC001120701845 782077612 /nfs/dbraw/zinc/07/76/12/782077612.db2.gz KXBDXISGINAUIJ-UHFFFAOYSA-N 0 3 312.841 2.183 20 30 DEEDHN COc1ccc(CN[C@H]2C=C[C@H](CO)C2)cc1OCCCC#N ZINC000347782073 533699745 /nfs/dbraw/zinc/69/97/45/533699745.db2.gz WLTOSOOFGOLSJK-HOTGVXAUSA-N 0 3 316.401 2.404 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000569902128 332690927 /nfs/dbraw/zinc/69/09/27/332690927.db2.gz PMSYEDQIBKZFPJ-ZFWWWQNUSA-N 0 3 317.437 2.229 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CC(C)(C)c2ccccc21 ZINC000562996939 333026325 /nfs/dbraw/zinc/02/63/25/333026325.db2.gz OIEYGEPGXPZYJW-YOEHRIQHSA-N 0 3 301.434 2.205 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000563887962 335127456 /nfs/dbraw/zinc/12/74/56/335127456.db2.gz CQKPOSDTQRNWNV-HNNXBMFYSA-N 0 3 324.465 2.367 20 30 DEEDHN CCC(=O)N1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000518784752 333222985 /nfs/dbraw/zinc/22/29/85/333222985.db2.gz RIKNTEOBPXHDCS-UHFFFAOYSA-N 0 3 307.438 2.031 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000296960914 335150378 /nfs/dbraw/zinc/15/03/78/335150378.db2.gz QXELEUKKLKLMJJ-AWEZNQCLSA-N 0 3 305.397 2.483 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CCOCC1 ZINC000120382461 334317636 /nfs/dbraw/zinc/31/76/36/334317636.db2.gz HIFDCOQAZOXQIK-OAHLLOKOSA-N 0 3 321.465 2.466 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCc2nccs2)CC1 ZINC000120339666 334317995 /nfs/dbraw/zinc/31/79/95/334317995.db2.gz NGXYHQGKSZJXEX-UHFFFAOYSA-N 0 3 322.478 2.368 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N(CCCCC)C(C)C)CC1 ZINC000343761444 335191284 /nfs/dbraw/zinc/19/12/84/335191284.db2.gz HKJMQXZWCUINRP-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000332565799 336174761 /nfs/dbraw/zinc/17/47/61/336174761.db2.gz SOEIHPHYKMWFEI-TWMKSMIVSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)cc2OC)[C@H]1C ZINC001088992534 782104055 /nfs/dbraw/zinc/10/40/55/782104055.db2.gz KBMQKUUXAAPETI-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN CCc1ccccc1[C@H](N)CNC(=O)N1CCC(C#N)CC1 ZINC000583683615 336697882 /nfs/dbraw/zinc/69/78/82/336697882.db2.gz ZFYGOIZPZDQPIY-MRXNPFEDSA-N 0 3 300.406 2.194 20 30 DEEDHN C=CC[C@@H]1N(CC(=O)N(C)Cc2cnn(C)c2)CCCC1(C)C ZINC000582705019 337122393 /nfs/dbraw/zinc/12/23/93/337122393.db2.gz IMZIIDJAMDDHKZ-INIZCTEOSA-N 0 3 318.465 2.445 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734723 337171362 /nfs/dbraw/zinc/17/13/62/337171362.db2.gz WGPKYOJQCZKFDH-SJKOYZFVSA-N 0 3 316.401 2.189 20 30 DEEDHN CC(C)(C)c1nc(CCNC(=O)[C@H](N)CCCC#N)cs1 ZINC000424167049 337789604 /nfs/dbraw/zinc/78/96/04/337789604.db2.gz GNFSHDYPMJLZQR-GFCCVEGCSA-N 0 3 308.451 2.120 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCSc2ccccc21 ZINC000516257648 338008988 /nfs/dbraw/zinc/00/89/88/338008988.db2.gz CBJCFRMQFZAXMS-UKRRQHHQSA-N 0 3 305.447 2.019 20 30 DEEDHN CC(C#N)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000430447229 338107307 /nfs/dbraw/zinc/10/73/07/338107307.db2.gz MKAGFGLHUKHBSP-VMGRFDJRSA-N 0 3 304.365 2.175 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496595473 340008455 /nfs/dbraw/zinc/00/84/55/340008455.db2.gz KTQBABQHAKHLRV-BFHYXJOUSA-N 0 3 311.426 2.293 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCC#N)CCCO1 ZINC000496780950 340012821 /nfs/dbraw/zinc/01/28/21/340012821.db2.gz ITDMVUWXKWOQHS-CQSZACIVSA-N 0 3 311.426 2.296 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000496857923 340014699 /nfs/dbraw/zinc/01/46/99/340014699.db2.gz OGOLSEYFMHPGJO-OAGGEKHMSA-N 0 3 302.374 2.335 20 30 DEEDHN CC(C#N)C(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496994424 340017822 /nfs/dbraw/zinc/01/78/22/340017822.db2.gz NJFZOPLRJZDUNM-LBPRGKRZSA-N 0 3 307.394 2.148 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)c(C)s2)cn1 ZINC000505406980 340167751 /nfs/dbraw/zinc/16/77/51/340167751.db2.gz BGORNXOOCOAUOP-NSHDSACASA-N 0 3 302.359 2.409 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510111893 340289058 /nfs/dbraw/zinc/28/90/58/340289058.db2.gz HCZWNQPVTGOEAP-YESZJQIVSA-N 0 3 305.418 2.264 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510111894 340289075 /nfs/dbraw/zinc/28/90/75/340289075.db2.gz HCZWNQPVTGOEAP-ZACQAIPSSA-N 0 3 305.418 2.264 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000187310011 340519002 /nfs/dbraw/zinc/51/90/02/340519002.db2.gz VMXFJHPCMCBBDD-IRXDYDNUSA-N 0 3 306.450 2.042 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1C[C@H]2CCC[C@@H]2C1 ZINC000528404470 340712403 /nfs/dbraw/zinc/71/24/03/340712403.db2.gz OQJHBNQGRYHEIO-HUUCEWRRSA-N 0 3 308.381 2.018 20 30 DEEDHN COCCc1noc(CC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000528628396 340727033 /nfs/dbraw/zinc/72/70/33/340727033.db2.gz RRJNTUUGXFFPMY-CABCVRRESA-N 0 3 318.421 2.205 20 30 DEEDHN CN(C)C(=O)COc1ccccc1CN1CCC(CC#N)CC1 ZINC000543780189 341058420 /nfs/dbraw/zinc/05/84/20/341058420.db2.gz LBSPLEWYJBRKLX-UHFFFAOYSA-N 0 3 315.417 2.279 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000545986968 341149892 /nfs/dbraw/zinc/14/98/92/341149892.db2.gz SZSOPXCTUGXCLZ-AEFFLSMTSA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)ncn1)C(C)C ZINC000134607671 341219584 /nfs/dbraw/zinc/21/95/84/341219584.db2.gz MMNOVZVLMLNETO-INIZCTEOSA-N 0 3 302.422 2.213 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC001357302227 1152284083 /nfs/dbraw/zinc/28/40/83/1152284083.db2.gz IDZDORRDIOTGTO-UONOGXRCSA-N 0 3 304.390 2.476 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001377340268 1160239326 /nfs/dbraw/zinc/23/93/26/1160239326.db2.gz PMDIOIBXIQUDOP-HNNXBMFYSA-N 0 3 315.889 2.440 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cc2cc[nH]n2)CCCC[C@H]1C ZINC001378410581 1152320514 /nfs/dbraw/zinc/32/05/14/1152320514.db2.gz FBFSTQLYXIVBSO-WBMJQRKESA-N 0 3 324.856 2.359 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001357825361 1152342011 /nfs/dbraw/zinc/34/20/11/1152342011.db2.gz MZIXIWJMFILYDD-RHSMWYFYSA-N 0 3 317.433 2.074 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)C1(C)CCCC1 ZINC001329887904 1149009754 /nfs/dbraw/zinc/00/97/54/1149009754.db2.gz QMHHQXVHLRZMEE-MRXNPFEDSA-N 0 3 308.466 2.481 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N(C)[C@H]1CCOC[C@@H]1OC ZINC001358052767 1152358762 /nfs/dbraw/zinc/35/87/62/1152358762.db2.gz UZNFLFXATLDIPH-JYJNAYRXSA-N 0 3 314.470 2.327 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H]1CC(C)(C)CO1 ZINC001329924955 1149017679 /nfs/dbraw/zinc/01/76/79/1149017679.db2.gz YMKDDXNDOUVRFG-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)Cc1cccnc1C ZINC001329940583 1149021280 /nfs/dbraw/zinc/02/12/80/1149021280.db2.gz YSJIDOXDGVDFAO-GOSISDBHSA-N 0 3 313.445 2.317 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cccc(OC)c1 ZINC001399427540 1161388549 /nfs/dbraw/zinc/38/85/49/1161388549.db2.gz TVQAAHOIFSSGKI-ZDUSSCGKSA-N 0 3 310.825 2.475 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncccc2OCC)[C@H]1C ZINC001089085420 782158194 /nfs/dbraw/zinc/15/81/94/782158194.db2.gz HWONZCGBUWRQPQ-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C3(c4cccc(C)c4)CCC3)[C@@H]2C1 ZINC001330322057 1149091923 /nfs/dbraw/zinc/09/19/23/1149091923.db2.gz WADGAZODIHBSBX-LDLYASANSA-N 0 3 322.452 2.344 20 30 DEEDHN COC(=O)c1cccc(NC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000433323105 534277568 /nfs/dbraw/zinc/27/75/68/534277568.db2.gz UODRTEZGNVUZLS-GFCCVEGCSA-N 0 3 315.373 2.036 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000268136204 534289313 /nfs/dbraw/zinc/28/93/13/534289313.db2.gz JKJMKYYTGQBQTR-VYDXJSESSA-N 0 3 314.433 2.450 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001378877083 1152476301 /nfs/dbraw/zinc/47/63/01/1152476301.db2.gz WJMRLMGZOITVDI-IHRRRGAJSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC001378876771 1152476414 /nfs/dbraw/zinc/47/64/14/1152476414.db2.gz LFESOLGHIJVEKR-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CC)(NCc2nccn2C)CC1 ZINC001327468419 1148561671 /nfs/dbraw/zinc/56/16/71/1148561671.db2.gz WBKJYRNCPVAPHH-UHFFFAOYSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000451671108 534572749 /nfs/dbraw/zinc/57/27/49/534572749.db2.gz FEWACLUJJNCMOI-YVSFHVDLSA-N 0 3 324.465 2.021 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](O)CN2CCC(C)CC2)CCCC1 ZINC000449849207 534587676 /nfs/dbraw/zinc/58/76/76/534587676.db2.gz ISIXVVSQLGLIKG-MRXNPFEDSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCCC1 ZINC000449891554 534588650 /nfs/dbraw/zinc/58/86/50/534588650.db2.gz WEBVHAQHUOWOCY-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453361752 534610977 /nfs/dbraw/zinc/61/09/77/534610977.db2.gz PKAHLYLYKZFKAN-HONMWMINSA-N 0 3 313.394 2.223 20 30 DEEDHN CN(C[C@H]1CCOC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245522461 523142824 /nfs/dbraw/zinc/14/28/24/523142824.db2.gz LWAULSDJPUOOLV-WBVHZDCISA-N 0 3 313.401 2.022 20 30 DEEDHN N#Cc1ccnc(NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000295866941 534825511 /nfs/dbraw/zinc/82/55/11/534825511.db2.gz CKVFOONKCLQRCE-UHFFFAOYSA-N 0 3 301.350 2.290 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000246770262 525957936 /nfs/dbraw/zinc/95/79/36/525957936.db2.gz AVJKSKUGVGXIGD-OFQRWUPVSA-N 0 3 313.401 2.021 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000191128905 526288472 /nfs/dbraw/zinc/28/84/72/526288472.db2.gz DXNGXXPIRQOICJ-KRWDZBQOSA-N 0 3 319.449 2.442 20 30 DEEDHN CNC(=O)NC(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000330706904 526398478 /nfs/dbraw/zinc/39/84/78/526398478.db2.gz OYEMVOXXKZUYMP-UHFFFAOYSA-N 0 3 305.422 2.469 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@](C)(OC)CC2)CC1 ZINC000369795739 526426486 /nfs/dbraw/zinc/42/64/86/526426486.db2.gz LMHLVFFNEKVJDY-QGZVFWFLSA-N 0 3 309.454 2.237 20 30 DEEDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)NC2(C#N)CCC2)C1(C)C ZINC000412071410 526569540 /nfs/dbraw/zinc/56/95/40/526569540.db2.gz KLCXSXHEDGYMTD-QWHCGFSZSA-N 0 3 307.438 2.121 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@]2(CO)CCC)CC1 ZINC000445077109 526584882 /nfs/dbraw/zinc/58/48/82/526584882.db2.gz CYLIHKAGCJWIOM-GOSISDBHSA-N 0 3 323.481 2.364 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448552222 526624425 /nfs/dbraw/zinc/62/44/25/526624425.db2.gz PWYVUZUOTFMHBO-IAGOWNOFSA-N 0 3 315.461 2.131 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)s1 ZINC000295663534 526680819 /nfs/dbraw/zinc/68/08/19/526680819.db2.gz SUTOZDSGFNRHGJ-INIZCTEOSA-N 0 3 320.462 2.299 20 30 DEEDHN C#CCCCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000192206394 526681625 /nfs/dbraw/zinc/68/16/25/526681625.db2.gz IGLAHRZSDRUEBG-SFHVURJKSA-N 0 3 314.429 2.063 20 30 DEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CC(O)C1 ZINC000190216478 536484738 /nfs/dbraw/zinc/48/47/38/536484738.db2.gz UPZCEIOMEZCRQA-UHFFFAOYSA-N 0 3 310.401 2.161 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)cc1 ZINC000337795324 526890543 /nfs/dbraw/zinc/89/05/43/526890543.db2.gz CXJFQNGWSJOONQ-IRXDYDNUSA-N 0 3 300.402 2.494 20 30 DEEDHN C#CCN1CCC(C(=O)NCCC2Cc3ccccc3C2)CC1 ZINC000122392441 526923781 /nfs/dbraw/zinc/92/37/81/526923781.db2.gz ZJRLKNTXPOLOPK-UHFFFAOYSA-N 0 3 310.441 2.253 20 30 DEEDHN CC(C)(CC#N)CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418300648 526955203 /nfs/dbraw/zinc/95/52/03/526955203.db2.gz XVWJRFMVTZWUJS-OAHLLOKOSA-N 0 3 300.406 2.112 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000294652308 527073248 /nfs/dbraw/zinc/07/32/48/527073248.db2.gz HNVCIOYRNHJQLA-LSDHHAIUSA-N 0 3 320.458 2.115 20 30 DEEDHN C=CC[C@@H](CO)CNCc1c(C)nn(-c2ccccn2)c1C ZINC000338440302 527077358 /nfs/dbraw/zinc/07/73/58/527077358.db2.gz PSBYIFVSIJUSJV-OAHLLOKOSA-N 0 3 300.406 2.158 20 30 DEEDHN C=CCCCCCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368620504 527114852 /nfs/dbraw/zinc/11/48/52/527114852.db2.gz ZZCQZXCVERBBOD-CVEARBPZSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](O)CC1 ZINC000339784358 527265050 /nfs/dbraw/zinc/26/50/50/527265050.db2.gz RSLHFHLDKNBWNA-DLBZAZTESA-N 0 3 305.418 2.002 20 30 DEEDHN C=CCC[C@H](CO)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000413317525 527468514 /nfs/dbraw/zinc/46/85/14/527468514.db2.gz MJPSXUWNWIGXAT-GFCCVEGCSA-N 0 3 302.374 2.413 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000378274563 527576971 /nfs/dbraw/zinc/57/69/71/527576971.db2.gz REMMYRHGSKOCLE-NJAFHUGGSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000373140536 527610663 /nfs/dbraw/zinc/61/06/63/527610663.db2.gz NFMKQXKHYREKMB-SJORKVTESA-N 0 3 306.450 2.326 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248989039 527611162 /nfs/dbraw/zinc/61/11/62/527611162.db2.gz WVFVJWDVCCPYSB-IEBWSBKVSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1nc(C)no1)C(C)C ZINC000296748263 527647251 /nfs/dbraw/zinc/64/72/51/527647251.db2.gz ICMUDNFFXVUNQH-ZDUSSCGKSA-N 0 3 307.398 2.198 20 30 DEEDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264579589 528063120 /nfs/dbraw/zinc/06/31/20/528063120.db2.gz UWXJMJGSPWEZIH-HNNXBMFYSA-N 0 3 302.374 2.364 20 30 DEEDHN CC(C)c1noc(CON=C(N)c2ccc(CN(C)C)cc2)n1 ZINC000266994090 528500445 /nfs/dbraw/zinc/50/04/45/528500445.db2.gz CWWDVDHMWUMSJQ-UHFFFAOYSA-N 0 3 317.393 2.092 20 30 DEEDHN CCNC(=O)NC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000331296533 528826471 /nfs/dbraw/zinc/82/64/71/528826471.db2.gz NICNXJCKULCBKN-UHFFFAOYSA-N 0 3 303.406 2.486 20 30 DEEDHN CC(C)NC(=O)[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000414351648 529144731 /nfs/dbraw/zinc/14/47/31/529144731.db2.gz VYJXMKJNGTXZLG-CQSZACIVSA-N 0 3 314.433 2.030 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC000375878117 535201537 /nfs/dbraw/zinc/20/15/37/535201537.db2.gz YOZRBRSLZITXSS-HNNXBMFYSA-N 0 3 316.424 2.302 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@](C)(OC)C1 ZINC000348223336 536881810 /nfs/dbraw/zinc/88/18/10/536881810.db2.gz GESPRYSNASJSJG-QGZVFWFLSA-N 0 3 304.390 2.447 20 30 DEEDHN C#CCCCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001358927490 1152528359 /nfs/dbraw/zinc/52/83/59/1152528359.db2.gz AMUIECWLZMRFEI-CABCVRRESA-N 0 3 315.465 2.488 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cncs2)C1 ZINC001327840975 1148655535 /nfs/dbraw/zinc/65/55/35/1148655535.db2.gz DVUVRLHAYQZXKK-HIFRSBDPSA-N 0 3 305.447 2.273 20 30 DEEDHN Cc1cccnc1CN[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1C ZINC001327859378 1148660234 /nfs/dbraw/zinc/66/02/34/1148660234.db2.gz AXTSYTBJWCBSLA-RDJZCZTQSA-N 0 3 313.445 2.376 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](NCc2ccns2)[C@@H](C)C1 ZINC001327905885 1148674784 /nfs/dbraw/zinc/67/47/84/1148674784.db2.gz ROZYEWPQFFHOFC-ZFWWWQNUSA-N 0 3 305.447 2.273 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835340862 649908592 /nfs/dbraw/zinc/90/85/92/649908592.db2.gz OZXNTKKATQBCBA-LSDHHAIUSA-N 0 3 302.374 2.135 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001023467029 625282043 /nfs/dbraw/zinc/28/20/43/625282043.db2.gz ULGHNLDDXDCPPK-INIZCTEOSA-N 0 3 314.429 2.387 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001023468287 625283858 /nfs/dbraw/zinc/28/38/58/625283858.db2.gz OYANYMYBCKMKQX-SNVBAGLBSA-N 0 3 317.311 2.321 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3cnccc3o2)C1 ZINC001023470661 625285123 /nfs/dbraw/zinc/28/51/23/625285123.db2.gz 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/nfs/dbraw/zinc/30/81/93/625308193.db2.gz AFHKVPYWYMNNGN-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cscn1 ZINC001025276237 625320639 /nfs/dbraw/zinc/32/06/39/625320639.db2.gz HMWDGNUMGNZCTJ-HZPDHXFCSA-N 0 3 317.458 2.164 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001023557542 625323943 /nfs/dbraw/zinc/32/39/43/625323943.db2.gz ZKWJFORTPWVWCB-CYBMUJFWSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001023609483 625346746 /nfs/dbraw/zinc/34/67/46/625346746.db2.gz RGVCYDQCXYTKBC-ARFHVFGLSA-N 0 3 300.402 2.235 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)c(F)c2F)C1 ZINC001023609249 625347064 /nfs/dbraw/zinc/34/70/64/625347064.db2.gz NIQXZAZPDIGSNG-ZDUSSCGKSA-N 0 3 306.356 2.348 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccncc2Cl)C1 ZINC001023616102 625350960 /nfs/dbraw/zinc/35/09/60/625350960.db2.gz RAHJKVOLJUEQFO-CYBMUJFWSA-N 0 3 305.809 2.200 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)noc2C)C1 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DEEDHN COc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679031 624060639 /nfs/dbraw/zinc/06/06/39/624060639.db2.gz WCDIENAPPGFAFL-HNNXBMFYSA-N 0 3 314.385 2.395 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC000971218854 624072812 /nfs/dbraw/zinc/07/28/12/624072812.db2.gz SRMXPFQVYUCBAG-CZUORRHYSA-N 0 3 303.381 2.348 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2N(C)C)C1 ZINC001025636425 625701055 /nfs/dbraw/zinc/70/10/55/625701055.db2.gz ZMLUOEGDXROQGY-HZPDHXFCSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CCC1 ZINC000933302508 624161493 /nfs/dbraw/zinc/16/14/93/624161493.db2.gz HNDSSUATSKNXML-CYBMUJFWSA-N 0 3 314.385 2.320 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001022127869 624213637 /nfs/dbraw/zinc/21/36/37/624213637.db2.gz DDSLGPRLYKBEEJ-QLFBSQMISA-N 0 3 320.820 2.370 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001022127870 624213701 /nfs/dbraw/zinc/21/37/01/624213701.db2.gz 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624551201 /nfs/dbraw/zinc/55/12/01/624551201.db2.gz FRPWBZOHONSJAT-PHIMTYICSA-N 0 3 324.837 2.307 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cn(C)nc2C2CCC2)C1 ZINC000971810269 624598181 /nfs/dbraw/zinc/59/81/81/624598181.db2.gz BCMKIOPOWIMEOR-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001022516292 624707116 /nfs/dbraw/zinc/70/71/16/624707116.db2.gz SRQNLALKRCYXFE-TXEJJXNPSA-N 0 3 312.772 2.437 20 30 DEEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1cncs1 ZINC000934196674 624779382 /nfs/dbraw/zinc/77/93/82/624779382.db2.gz WQWKDDPYWBVBEP-AAEUAGOBSA-N 0 3 303.387 2.105 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)C)C[C@@H]1C ZINC000947488653 624800726 /nfs/dbraw/zinc/80/07/26/624800726.db2.gz QPAWMQOBANHJTL-UONOGXRCSA-N 0 3 302.422 2.139 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972089948 624830249 /nfs/dbraw/zinc/83/02/49/624830249.db2.gz HAIIMPDENSXTHR-CVEARBPZSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CC[C@@H]1CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000934459027 624882327 /nfs/dbraw/zinc/88/23/27/624882327.db2.gz AWDAZCDLBYIGPE-SJORKVTESA-N 0 3 301.434 2.056 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC001027665940 634412620 /nfs/dbraw/zinc/41/26/20/634412620.db2.gz FJWMVZZOKGHGHL-INIZCTEOSA-N 0 3 316.449 2.017 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(CCC1CCCC1)CCO2 ZINC000972299024 624919503 /nfs/dbraw/zinc/91/95/03/624919503.db2.gz XDKAFELCQXJSHQ-QAPCUYQASA-N 0 3 319.449 2.030 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001022827530 624941922 /nfs/dbraw/zinc/94/19/22/624941922.db2.gz CMNHCIWEZMPEHU-OKILXGFUSA-N 0 3 323.824 2.343 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001022853565 625028926 /nfs/dbraw/zinc/02/89/26/625028926.db2.gz GXDYCJKQNGVOIU-BETUJISGSA-N 0 3 318.808 2.474 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001024758515 625042302 /nfs/dbraw/zinc/04/23/02/625042302.db2.gz 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625140839 /nfs/dbraw/zinc/14/08/39/625140839.db2.gz ADZKRLYADVTVBD-STQMWFEESA-N 0 3 313.357 2.221 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C[C@@H]1C ZINC000947537562 625146430 /nfs/dbraw/zinc/14/64/30/625146430.db2.gz OVFPLSAYJTXHCG-SWLSCSKDSA-N 0 3 310.401 2.087 20 30 DEEDHN CN1CC[C@H](NC[C@H](O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000930519833 625156369 /nfs/dbraw/zinc/15/63/69/625156369.db2.gz VBIGPGBUSJBIKQ-UGFHNGPFSA-N 0 3 311.788 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001023110181 625159513 /nfs/dbraw/zinc/15/95/13/625159513.db2.gz SHZWLXXVTVJDLM-PHIMTYICSA-N 0 3 320.780 2.273 20 30 DEEDHN CC(=O)N1C[C@@H]2CC[C@@H](NCc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001026158350 625160604 /nfs/dbraw/zinc/16/06/04/625160604.db2.gz UKCDFPBWCMELBD-IAOVAPTHSA-N 0 3 301.365 2.044 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2conc2C(F)(F)F)C[C@@H]1C ZINC000947547228 625202994 /nfs/dbraw/zinc/20/29/94/625202994.db2.gz PDEFKMHFNHKRKT-UWVGGRQHSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)C[C@H]1C ZINC000947547173 625203138 /nfs/dbraw/zinc/20/31/38/625203138.db2.gz OOUJIISKEKLPMN-PBHICJAKSA-N 0 3 322.412 2.236 20 30 DEEDHN CC[C@@H](F)CN1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319666 625227674 /nfs/dbraw/zinc/22/76/74/625227674.db2.gz GHDAZFCHPNSTKO-GXTWGEPZSA-N 0 3 306.385 2.076 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2csc([C@H](C)OC)n2)C1 ZINC001023371411 625242650 /nfs/dbraw/zinc/24/26/50/625242650.db2.gz YXNZNDXJQFGQHW-STQMWFEESA-N 0 3 323.462 2.478 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)nc(OC)c2)C[C@@H]1C ZINC000947663208 625247211 /nfs/dbraw/zinc/24/72/11/625247211.db2.gz RQFWJKABMRLGMG-DZGCQCFKSA-N 0 3 303.406 2.167 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3ncccc3o2)C[C@H]1C ZINC000947554372 625254052 /nfs/dbraw/zinc/25/40/52/625254052.db2.gz APEOAYJSVPRYKF-ZIAGYGMSSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001023434595 625267203 /nfs/dbraw/zinc/26/72/03/625267203.db2.gz 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/nfs/dbraw/zinc/86/31/29/625863129.db2.gz KNIIAVGVJYBALZ-JUDXGUMMSA-N 0 3 301.365 2.090 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001024558530 625877795 /nfs/dbraw/zinc/87/77/95/625877795.db2.gz JVWUQSPSJZRWMD-VVLHAWIVSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnc(C(C)C)s2)C1 ZINC001027707943 634469217 /nfs/dbraw/zinc/46/92/17/634469217.db2.gz OKPCDLQNVCSIPM-ZDUSSCGKSA-N 0 3 305.447 2.436 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4[nH]c(C)c(C)c4c3)[C@@H]2C1 ZINC000979081072 634499438 /nfs/dbraw/zinc/49/94/38/634499438.db2.gz GKGWWGBNXYLPRQ-NNZMDNLPSA-N 0 3 321.424 2.326 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4c(cccc4C)o3)[C@@H]2C1 ZINC000979105074 634501903 /nfs/dbraw/zinc/50/19/03/634501903.db2.gz SJMFKYKLBDKEFJ-PHZGNYQRSA-N 0 3 308.381 2.282 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(CC)c(CC)c3)[C@@H]2C1 ZINC000979113266 634503966 /nfs/dbraw/zinc/50/39/66/634503966.db2.gz GNLPCERCSUFBSY-LDLYASANSA-N 0 3 310.441 2.352 20 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C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001027038392 633371435 /nfs/dbraw/zinc/37/14/35/633371435.db2.gz LNFBPOIJXZKVOX-MAUKXSAKSA-N 0 3 318.465 2.269 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(C[C@H](C)OC)CC2(C)C)cc1 ZINC000974929356 633372744 /nfs/dbraw/zinc/37/27/44/633372744.db2.gz IFSZJWBPTYJHHO-YOEHRIQHSA-N 0 3 314.429 2.143 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cccnc2C)C(C)(C)C1 ZINC000975027923 633399955 /nfs/dbraw/zinc/39/99/55/633399955.db2.gz CVWINPQQHUNPAT-INIZCTEOSA-N 0 3 301.434 2.335 20 30 DEEDHN CC[C@H](F)CN1CCC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000997021236 633562521 /nfs/dbraw/zinc/56/25/21/633562521.db2.gz COMUPLGQEBPBIA-OCCSQVGLSA-N 0 3 320.412 2.465 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000997115450 633595252 /nfs/dbraw/zinc/59/52/52/633595252.db2.gz TXGVDUBMKIHFQT-GFCCVEGCSA-N 0 3 324.375 2.050 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001027327343 633656262 /nfs/dbraw/zinc/65/62/62/633656262.db2.gz 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C=CCN[C@H]1CN(C(=O)c2cncs2)CC[C@H]1C(F)(F)F ZINC000998238223 634180582 /nfs/dbraw/zinc/18/05/82/634180582.db2.gz NYPVIRVPANBSEJ-ZJUUUORDSA-N 0 3 319.352 2.312 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027575650 634181080 /nfs/dbraw/zinc/18/10/80/634181080.db2.gz BTNJMJLYSFFNRD-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccncc2)CC[C@@H]1C(F)(F)F ZINC000998238296 634181044 /nfs/dbraw/zinc/18/10/44/634181044.db2.gz PXEZYLVVRJVKRF-STQMWFEESA-N 0 3 313.323 2.250 20 30 DEEDHN C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC000946490414 634185016 /nfs/dbraw/zinc/18/50/16/634185016.db2.gz QCWCFSFFKMZJTM-IYBDPMFKSA-N 0 3 312.413 2.200 20 30 DEEDHN C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC000946490414 634185021 /nfs/dbraw/zinc/18/50/21/634185021.db2.gz QCWCFSFFKMZJTM-IYBDPMFKSA-N 0 3 312.413 2.200 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccoc2)CC[C@@H]1C(F)(F)F ZINC000998245005 634185589 /nfs/dbraw/zinc/18/55/89/634185589.db2.gz 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C#CCOc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000769524421 641256256 /nfs/dbraw/zinc/25/62/56/641256256.db2.gz DRHNKXIEOIBYSS-LJQANCHMSA-N 0 3 315.413 2.469 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000989930637 641295352 /nfs/dbraw/zinc/29/53/52/641295352.db2.gz BOTXAUNKOBVQNI-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3scnc3C)CCC[C@H]12 ZINC000989973973 641315991 /nfs/dbraw/zinc/31/59/91/641315991.db2.gz NUDVYWNTLCFJPP-BBRMVZONSA-N 0 3 303.431 2.202 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3oc(C)nc3C)CCC[C@H]12 ZINC000990110236 641359384 /nfs/dbraw/zinc/35/93/84/641359384.db2.gz USLVFOSYUJAJAE-WMLDXEAASA-N 0 3 301.390 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)ncn3)CCC[C@H]12 ZINC000990264734 641421719 /nfs/dbraw/zinc/42/17/19/641421719.db2.gz HJXBWTJZJDDTGB-RDJZCZTQSA-N 0 3 300.406 2.088 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3ccc(C)o3)CCC[C@@H]12 ZINC000990288441 641426875 /nfs/dbraw/zinc/42/68/75/641426875.db2.gz LJCALEXJHORJPB-SJLPKXTDSA-N 0 3 300.402 2.267 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(C)c2C2CC2)CC1 ZINC000771228238 641483334 /nfs/dbraw/zinc/48/33/34/641483334.db2.gz LUYRZNYQFGRARS-UHFFFAOYSA-N 0 3 317.437 2.460 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC ZINC000842288700 650694836 /nfs/dbraw/zinc/69/48/36/650694836.db2.gz JDRDJUNWPFXDNU-IUODEOHRSA-N 0 3 318.373 2.404 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC)cc1 ZINC000842289348 650695846 /nfs/dbraw/zinc/69/58/46/650695846.db2.gz PBKCCIDIEKAQNS-GJZGRUSLSA-N 0 3 318.373 2.404 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000842342970 650714315 /nfs/dbraw/zinc/71/43/15/650714315.db2.gz IFCZFRSIXKAWJZ-KBPBESRZSA-N 0 3 322.792 2.480 20 30 DEEDHN C#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CCCO1 ZINC000775341451 642032431 /nfs/dbraw/zinc/03/24/31/642032431.db2.gz PKNRBWRPBMRNIE-ROUUACIJSA-N 0 3 312.413 2.193 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)[C@@H]1OC ZINC000775977795 642118328 /nfs/dbraw/zinc/11/83/28/642118328.db2.gz DKMOQHSYUMDXPZ-SJWGOKEGSA-N 0 3 304.390 2.259 20 30 DEEDHN C#CCN(C(=S)Nc1cccc(OC)c1)C1CCN(C)CC1 ZINC000899613851 642122820 /nfs/dbraw/zinc/12/28/20/642122820.db2.gz QXADIUGKYRSXCW-UHFFFAOYSA-N 0 3 317.458 2.421 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)CCOC ZINC000778169046 642347023 /nfs/dbraw/zinc/34/70/23/642347023.db2.gz KTRGUDDBSPUUAH-MRXNPFEDSA-N 0 3 311.809 2.229 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000900530988 642401573 /nfs/dbraw/zinc/40/15/73/642401573.db2.gz UYWWVFPYAMIOTC-BLIJAFNYSA-N 0 3 300.402 2.287 20 30 DEEDHN C=CCN(CCc1ccco1)C(=S)NC1CCN(C)CC1 ZINC000778533806 642402923 /nfs/dbraw/zinc/40/29/23/642402923.db2.gz POJMSXHXTWFHPW-UHFFFAOYSA-N 0 3 307.463 2.279 20 30 DEEDHN C#Cc1cccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000779353665 642490344 /nfs/dbraw/zinc/49/03/44/642490344.db2.gz OEWMOWHRYYKULC-GJZGRUSLSA-N 0 3 303.431 2.177 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCCCS1 ZINC000783349882 642996316 /nfs/dbraw/zinc/99/63/16/642996316.db2.gz KQEFEMIRKAVVIL-KGLIPLIRSA-N 0 3 302.399 2.297 20 30 DEEDHN C=CCC[C@H]([NH2+]Cc1nnc(COC)[n-]1)[C@]1(C)CCCCO1 ZINC000903048278 643238506 /nfs/dbraw/zinc/23/85/06/643238506.db2.gz LMXATWNVWLWXDI-BBRMVZONSA-N 0 3 308.426 2.335 20 30 DEEDHN C[C@H](NC[C@H]1CC2(CO1)CCOCC2)c1cc(C#N)ccn1 ZINC000903081910 643242058 /nfs/dbraw/zinc/24/20/58/643242058.db2.gz PKECUGIZQBMABV-DZGCQCFKSA-N 0 3 301.390 2.190 20 30 DEEDHN CC[C@@H](C#N)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785715595 643267692 /nfs/dbraw/zinc/26/76/92/643267692.db2.gz VSDHOBYUUGXYCI-KRWDZBQOSA-N 0 3 316.401 2.350 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@H]2CCOC2)c1 ZINC000786538730 643380923 /nfs/dbraw/zinc/38/09/23/643380923.db2.gz BNEKELANYZAVKX-GOEBONIOSA-N 0 3 314.385 2.137 20 30 DEEDHN CC(C)(C)OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786535503 643381365 /nfs/dbraw/zinc/38/13/65/643381365.db2.gz RTGCFSGPPAQLAH-CYBMUJFWSA-N 0 3 322.792 2.480 20 30 DEEDHN CCOCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786541683 643382468 /nfs/dbraw/zinc/38/24/68/643382468.db2.gz QQGZOTLEYKJKOT-HNNXBMFYSA-N 0 3 302.374 2.137 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)c1 ZINC000786552071 643383139 /nfs/dbraw/zinc/38/31/39/643383139.db2.gz JRZRLBOKLJUPMH-HOTGVXAUSA-N 0 3 314.385 2.279 20 30 DEEDHN CC(C)(C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568454 643386015 /nfs/dbraw/zinc/38/60/15/643386015.db2.gz HCIILFGGEBSMFL-LLVKDONJSA-N 0 3 324.327 2.105 20 30 DEEDHN COCCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CCOC1 ZINC000787335470 643484098 /nfs/dbraw/zinc/48/40/98/643484098.db2.gz RRJMGSDJQQUGKV-ZBFHGGJFSA-N 0 3 304.390 2.215 20 30 DEEDHN COc1cc2c(cc1/C=C1\C(=O)c3ncnn3C1C)O[C@@H](C)C2 ZINC000905081862 643778393 /nfs/dbraw/zinc/77/83/93/643778393.db2.gz TYDNMRIILZPJDD-CKRYBIRDSA-N 0 3 311.341 2.451 20 30 DEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(F)c1OC ZINC000905085613 643779473 /nfs/dbraw/zinc/77/94/73/643779473.db2.gz OSUCGPSYOGGAFH-NDVARNPJSA-N 0 3 303.293 2.275 20 30 DEEDHN COc1cc(F)c(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905085481 643779888 /nfs/dbraw/zinc/77/98/88/643779888.db2.gz NOCCXVURCVQFFT-OPWUTIMJSA-N 0 3 303.293 2.275 20 30 DEEDHN CC1/C(=C\c2ccc3c(c2)CCC(=O)N3C)C(=O)c2ncnn21 ZINC000905085912 643779912 /nfs/dbraw/zinc/77/99/12/643779912.db2.gz QDMOFHHYJFKZMH-SEEODLKFSA-N 0 3 308.341 2.028 20 30 DEEDHN CC1/C(=C\c2ccc(N3CCC(O)CC3)cc2)C(=O)c2ncnn21 ZINC000905086962 643780554 /nfs/dbraw/zinc/78/05/54/643780554.db2.gz UWQMBCNCOCBBDY-SEJMYLSOSA-N 0 3 324.384 2.080 20 30 DEEDHN Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1C#N ZINC000905581029 643964891 /nfs/dbraw/zinc/96/48/91/643964891.db2.gz RXILSSWYRKCMBJ-SFHVURJKSA-N 0 3 321.380 2.268 20 30 DEEDHN C=CC[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)OC ZINC000905762576 644036828 /nfs/dbraw/zinc/03/68/28/644036828.db2.gz NVMIIRKSKALXNB-PBHICJAKSA-N 0 3 317.433 2.314 20 30 DEEDHN C=CC[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)C(=O)OC ZINC000905762582 644036888 /nfs/dbraw/zinc/03/68/88/644036888.db2.gz NVMIIRKSKALXNB-YOEHRIQHSA-N 0 3 317.433 2.314 20 30 DEEDHN N#CCC[C@H](C#N)CNCC[C@H]1CCC2(CCOCC2)CO1 ZINC000905827090 644059264 /nfs/dbraw/zinc/05/92/64/644059264.db2.gz FOPUDHDHXXWORN-HZPDHXFCSA-N 0 3 305.422 2.385 20 30 DEEDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000905867009 644064973 /nfs/dbraw/zinc/06/49/73/644064973.db2.gz LYYYIICIHVSIMF-PKFCDNJMSA-N 0 3 307.781 2.163 20 30 DEEDHN C#CCN(C(=O)c1cccnc1C(F)F)C1CCN(C)CC1 ZINC000906451314 644253756 /nfs/dbraw/zinc/25/37/56/644253756.db2.gz DFZJNXDTAQKNLP-UHFFFAOYSA-N 0 3 307.344 2.189 20 30 DEEDHN C#CCN(C(=O)c1c(C)noc1C1CC1)C1CCN(C)CC1 ZINC000906452671 644254904 /nfs/dbraw/zinc/25/49/04/644254904.db2.gz ZLLZCVWLSCHDEZ-UHFFFAOYSA-N 0 3 301.390 2.030 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc(C)cc3OC)CCC[C@H]12 ZINC000991089102 644450360 /nfs/dbraw/zinc/45/03/60/644450360.db2.gz NOKCIKWKBIMOEZ-YJBOKZPZSA-N 0 3 315.417 2.311 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C2CC([NH+]3CCCCC3)C2)c1[O-] ZINC000794846800 644483887 /nfs/dbraw/zinc/48/38/87/644483887.db2.gz DKAQCQSEQHDXNH-VXLYETTFSA-N 0 3 303.406 2.024 20 30 DEEDHN COC(=O)C[C@@](C)(NCCO[C@@H](C)C#N)c1cccc(F)c1 ZINC000796497689 644745987 /nfs/dbraw/zinc/74/59/87/644745987.db2.gz OCQYPEFUYMKKFN-BLLLJJGKSA-N 0 3 308.353 2.122 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(COC)c3)CCC[C@H]12 ZINC000991101069 644767922 /nfs/dbraw/zinc/76/79/22/644767922.db2.gz RZTZMBAGZMDWFM-WMZOPIPTSA-N 0 3 315.417 2.141 20 30 DEEDHN Cc1cncc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000796744465 644785841 /nfs/dbraw/zinc/78/58/41/644785841.db2.gz FFIFXGQIFOUZCA-MRXNPFEDSA-N 0 3 313.401 2.480 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000798544986 645035257 /nfs/dbraw/zinc/03/52/57/645035257.db2.gz NGPJTMRPYUBVLQ-BPQIPLTHSA-N 0 3 313.445 2.464 20 30 DEEDHN C[C@H](C#N)OCCN[C@H](CO)c1ccc(Br)cc1 ZINC000801938583 645466408 /nfs/dbraw/zinc/46/64/08/645466408.db2.gz IKUMVZQMYXAEPO-ZWNOBZJWSA-N 0 3 313.195 2.001 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000801952246 645469623 /nfs/dbraw/zinc/46/96/23/645469623.db2.gz QKAQGXVNPJZGRJ-AWEZNQCLSA-N 0 3 302.422 2.327 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000911916488 645869312 /nfs/dbraw/zinc/86/93/12/645869312.db2.gz YLOAPZINJSEEOW-GFCCVEGCSA-N 0 3 308.378 2.335 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000911990550 645901950 /nfs/dbraw/zinc/90/19/50/645901950.db2.gz VCCPHMDQORMEBW-HNNXBMFYSA-N 0 3 318.417 2.272 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000912012945 645914688 /nfs/dbraw/zinc/91/46/88/645914688.db2.gz KVJLVBSCEOTYHC-CYBMUJFWSA-N 0 3 323.824 2.421 20 30 DEEDHN CCCN(C(=O)c1ccc(C=NOC)cc1)[C@@H]1CCN(C)C1 ZINC000843991705 651059282 /nfs/dbraw/zinc/05/92/82/651059282.db2.gz LBDSLGJRCXIPBQ-MRXNPFEDSA-N 0 3 303.406 2.223 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000912461725 646071117 /nfs/dbraw/zinc/07/11/17/646071117.db2.gz JLAFPGCSMHVZMS-KRWDZBQOSA-N 0 3 312.417 2.231 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(CC(N)=O)cc2)cc1 ZINC000810158931 646333741 /nfs/dbraw/zinc/33/37/41/646333741.db2.gz XBBVPRMEHZDMFD-CQSZACIVSA-N 0 3 323.396 2.295 20 30 DEEDHN Cc1cccc(C)c1OCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129533285 646391365 /nfs/dbraw/zinc/39/13/65/646391365.db2.gz KIWAAHPCKFPTOR-CQSZACIVSA-N 0 3 300.358 2.060 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C[C@H]1C ZINC000947735052 646505354 /nfs/dbraw/zinc/50/53/54/646505354.db2.gz IQVQRGXRMMZUPE-CZUORRHYSA-N 0 3 311.429 2.483 20 30 DEEDHN Cc1nc(C(=O)N2CCC(NCc3ccccc3C#N)CC2)co1 ZINC000991666019 646565869 /nfs/dbraw/zinc/56/58/69/646565869.db2.gz DXUCNQGMDZLTCA-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(COC)o3)CCC[C@H]12 ZINC000991758547 646613654 /nfs/dbraw/zinc/61/36/54/646613654.db2.gz XCOLBOWXXRHFLQ-RDJZCZTQSA-N 0 3 304.390 2.339 20 30 DEEDHN C=CCOc1ccc(CN2CCC(C(=O)N(C)OC)CC2)cc1 ZINC000812779641 646694755 /nfs/dbraw/zinc/69/47/55/646694755.db2.gz UURNVCVRKPUYQK-UHFFFAOYSA-N 0 3 318.417 2.483 20 30 DEEDHN COC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000813060101 646723470 /nfs/dbraw/zinc/72/34/70/646723470.db2.gz POKVQUWYEDLRLT-SLEUVZQESA-N 0 3 318.373 2.261 20 30 DEEDHN CC(COC(=O)CCCCOc1cccc(C#N)c1)[N+](=O)[O-] ZINC000813108191 646730318 /nfs/dbraw/zinc/73/03/18/646730318.db2.gz CDTAPUZHFUQORO-GFCCVEGCSA-N 0 3 306.318 2.316 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)C)C[C@H]1C ZINC000948030274 646746878 /nfs/dbraw/zinc/74/68/78/646746878.db2.gz FQXOOMLGSRUICH-KGLIPLIRSA-N 0 3 304.438 2.312 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2C(C)C)C[C@H]1C ZINC000948030683 646748534 /nfs/dbraw/zinc/74/85/34/646748534.db2.gz HWJKORBNRJDBMY-HUUCEWRRSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2snnc2C(C)C)CC1 ZINC000948873220 646760001 /nfs/dbraw/zinc/76/00/01/646760001.db2.gz DDQXVNCJZVSIIP-ZDUSSCGKSA-N 0 3 320.462 2.221 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN([C@@H](C)COC)C1 ZINC001014975953 646823596 /nfs/dbraw/zinc/82/35/96/646823596.db2.gz OGNHAPMGQPURGK-GJZGRUSLSA-N 0 3 318.417 2.090 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(CC)nnc3C)CCC[C@@H]12 ZINC000992016673 646829442 /nfs/dbraw/zinc/82/94/42/646829442.db2.gz XUFRSCGPNXINLI-SJLPKXTDSA-N 0 3 314.433 2.260 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3c(F)cccc3F)CCC[C@H]12 ZINC000992149108 646874168 /nfs/dbraw/zinc/87/41/68/646874168.db2.gz SVVBBEXIIDPSQY-WMZOPIPTSA-N 0 3 318.367 2.254 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)C3CCC(OC)CC3)CCC[C@@H]12 ZINC000992153995 646876700 /nfs/dbraw/zinc/87/67/00/646876700.db2.gz NDRUHGKAZHRXHT-HTPOPCQBSA-N 0 3 318.461 2.328 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cccnc3OC)CCC[C@@H]12 ZINC000992155842 646877349 /nfs/dbraw/zinc/87/73/49/646877349.db2.gz UULOFIUZFBNYOU-CRAIPNDOSA-N 0 3 315.417 2.393 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3cccnc3C)CCC[C@H]12 ZINC000992173745 646886738 /nfs/dbraw/zinc/88/67/38/646886738.db2.gz QNLWYEQVVZTVQM-HKUYNNGSSA-N 0 3 311.429 2.069 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(OCC)c3)CCC[C@H]12 ZINC000992189734 646895016 /nfs/dbraw/zinc/89/50/16/646895016.db2.gz OCVALQBFSQALHX-YJBOKZPZSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cn(CC)nc3C)CCC[C@H]12 ZINC000992261732 646918992 /nfs/dbraw/zinc/91/89/92/646918992.db2.gz PZCUTQZAGVOZDG-DOTOQJQBSA-N 0 3 302.422 2.124 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C(C)C)n[nH]3)CCC[C@@H]12 ZINC000992268742 646921720 /nfs/dbraw/zinc/92/17/20/646921720.db2.gz SMBZRTLPKOILDE-NVXWUHKLSA-N 0 3 302.422 2.446 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(N(C)C)c3)CCC[C@@H]12 ZINC000992307026 646939117 /nfs/dbraw/zinc/93/91/17/646939117.db2.gz WNSWNPRVGUHAFN-QAPCUYQASA-N 0 3 314.433 2.060 20 30 DEEDHN COCc1nc(Cl)cc([N-][NH+]=Cc2cnccc2N(C)C)n1 ZINC000814979414 646954965 /nfs/dbraw/zinc/95/49/65/646954965.db2.gz NHTMKOQTNYJVRD-UHFFFAOYSA-N 0 3 320.784 2.183 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3c[nH]nc3C3CC3)CCC[C@H]12 ZINC000992369557 646961061 /nfs/dbraw/zinc/96/10/61/646961061.db2.gz NKCOWOUEVBOJOW-YOEHRIQHSA-N 0 3 300.406 2.200 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3c4ccccc4nn3C)CCC[C@H]12 ZINC000992377563 646964172 /nfs/dbraw/zinc/96/41/72/646964172.db2.gz HPSQIUBEYRPDNR-LPHOPBHVSA-N 0 3 324.428 2.486 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3cc(C)ccc3F)CCC[C@H]12 ZINC000992423050 646990456 /nfs/dbraw/zinc/99/04/56/646990456.db2.gz MHONGRILJBMIOL-PKOBYXMFSA-N 0 3 314.404 2.423 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3cccc(F)c3)CCC[C@H]12 ZINC000992449128 647017145 /nfs/dbraw/zinc/01/71/45/647017145.db2.gz BHTQRQDLQBDROA-FUHWJXTLSA-N 0 3 300.377 2.115 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000761108441 647186134 /nfs/dbraw/zinc/18/61/34/647186134.db2.gz MUIAPBISANAOSJ-CQSZACIVSA-N 0 3 312.207 2.064 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1Cc2ccccc21)C1CCN(C)CC1 ZINC000914320674 647264543 /nfs/dbraw/zinc/26/45/43/647264543.db2.gz KHEBIMITRUJWHZ-MRXNPFEDSA-N 0 3 311.429 2.065 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2c(F)ccc(F)c2OC)C1 ZINC001015498090 647364071 /nfs/dbraw/zinc/36/40/71/647364071.db2.gz HOSDPFZMBAFUSR-NSHDSACASA-N 0 3 310.344 2.354 20 30 DEEDHN COc1cc(C=NNC(=N)N)ccc1OCc1cccs1 ZINC000915051186 647472515 /nfs/dbraw/zinc/47/25/15/647472515.db2.gz WXSCAVFGTIGSKM-UHFFFAOYSA-N 0 3 304.375 2.153 20 30 DEEDHN C#CCN(C)CCCNC(=O)CSc1cc(C)ccc1C ZINC000818615163 647489352 /nfs/dbraw/zinc/48/93/52/647489352.db2.gz CCEFQENQORTKBV-UHFFFAOYSA-N 0 3 304.459 2.467 20 30 DEEDHN CN1CCCC[C@@H]1CCN(c1cccc(C#N)c1)S(C)(=O)=O ZINC000915669496 647601286 /nfs/dbraw/zinc/60/12/86/647601286.db2.gz JHKWQONNJCHRMS-OAHLLOKOSA-N 0 3 321.446 2.199 20 30 DEEDHN C#Cc1cccc(CNC[C@H](O)COc2cccc(C(C)=O)c2)c1 ZINC000819357269 647642679 /nfs/dbraw/zinc/64/26/79/647642679.db2.gz OOFDUHKYYINBRD-IBGZPJMESA-N 0 3 323.392 2.400 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H]1C ZINC000993498108 647681221 /nfs/dbraw/zinc/68/12/21/647681221.db2.gz DSCPWABTKZJRKP-YOEHRIQHSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cn3ccccc3n2)[C@H]1C ZINC000993500099 647681401 /nfs/dbraw/zinc/68/14/01/647681401.db2.gz RNEDZQOQNKJFFU-GDBMZVCRSA-N 0 3 312.417 2.032 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H]1C ZINC000993506331 647683042 /nfs/dbraw/zinc/68/30/42/647683042.db2.gz DBGPKNNFBPJTGE-HOCLYGCPSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H]1C ZINC000993575394 647694701 /nfs/dbraw/zinc/69/47/01/647694701.db2.gz YJEPDKFRFMOBDX-DZGCQCFKSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)cc(=O)oc2C)[C@H]1C ZINC000993558976 647699844 /nfs/dbraw/zinc/69/98/44/647699844.db2.gz CEHSPXOLLQBURL-HIFRSBDPSA-N 0 3 318.417 2.415 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H]1C ZINC000993559911 647700371 /nfs/dbraw/zinc/70/03/71/647700371.db2.gz VYWNKXYUAJTJDJ-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H]1C ZINC000993605022 647705196 /nfs/dbraw/zinc/70/51/96/647705196.db2.gz ULYKYNRULWODKN-UONOGXRCSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2sc(C)nc2C)[C@H]1C ZINC000993612054 647707078 /nfs/dbraw/zinc/70/70/78/647707078.db2.gz NEDAMYITLVEONL-OCCSQVGLSA-N 0 3 307.463 2.458 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H]1C ZINC000993654908 647718341 /nfs/dbraw/zinc/71/83/41/647718341.db2.gz CFUJJFIUQDGEIQ-UONOGXRCSA-N 0 3 303.406 2.173 20 30 DEEDHN OCCN1CCC(N=Nc2ccccc2OC(F)(F)F)CC1 ZINC000819809893 647730375 /nfs/dbraw/zinc/73/03/75/647730375.db2.gz QXWVUAYLVDAING-UHFFFAOYSA-N 0 3 317.311 2.441 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccncc2Cl)[C@@H]1C ZINC000993830287 647750810 /nfs/dbraw/zinc/75/08/10/647750810.db2.gz WZKWMADRAFSGFX-BBRMVZONSA-N 0 3 319.836 2.270 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H]1C ZINC000993840615 647754247 /nfs/dbraw/zinc/75/42/47/647754247.db2.gz GFRGTAGERKJHGS-JSGCOSHPSA-N 0 3 302.422 2.446 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1C ZINC000993840627 647754680 /nfs/dbraw/zinc/75/46/80/647754680.db2.gz GFRGTAGERKJHGS-TZMCWYRMSA-N 0 3 302.422 2.446 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn(CC)nc2C)[C@H]1C ZINC000993894900 647760066 /nfs/dbraw/zinc/76/00/66/647760066.db2.gz XWRRBMOSQSPQSR-ZBFHGGJFSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3cccnn32)[C@H]1C ZINC000993935917 647763820 /nfs/dbraw/zinc/76/38/20/647763820.db2.gz DBGBTCWKQRESTN-GDBMZVCRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2c(C)noc2Cl)[C@@H]1C ZINC000993993991 647774664 /nfs/dbraw/zinc/77/46/64/647774664.db2.gz OSGMHJXBZFMCBH-JSGCOSHPSA-N 0 3 323.824 2.171 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(OC)c2F)[C@H]1C ZINC000994078239 647785571 /nfs/dbraw/zinc/78/55/71/647785571.db2.gz HQQBZBIZLZOTOO-UKRRQHHQSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@@H]1C ZINC000994128495 647790919 /nfs/dbraw/zinc/79/09/19/647790919.db2.gz UPXKHMBZGSLZGU-WFASDCNBSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@@H]1C ZINC000994134368 647792116 /nfs/dbraw/zinc/79/21/16/647792116.db2.gz 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/nfs/dbraw/zinc/93/47/62/647934762.db2.gz HWZUVZQDXAODJS-INIZCTEOSA-N 0 3 314.385 2.485 20 30 DEEDHN COc1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916899027 647938301 /nfs/dbraw/zinc/93/83/01/647938301.db2.gz MAIRTMNEILNXSH-AWEZNQCLSA-N 0 3 324.336 2.422 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COC1CCCC1 ZINC000916933415 647942242 /nfs/dbraw/zinc/94/22/42/647942242.db2.gz DWJCBVFOQFBACA-ZDUSSCGKSA-N 0 3 316.357 2.302 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(C)nc2)[C@H]1C ZINC000994416857 647942767 /nfs/dbraw/zinc/94/27/67/647942767.db2.gz AMCINRQBMJNJBF-WBVHZDCISA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cncnc2C(C)C)[C@@H]1C ZINC000994454394 647959206 /nfs/dbraw/zinc/95/92/06/647959206.db2.gz SQRNFORFUMOLBG-HOCLYGCPSA-N 0 3 314.433 2.206 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2n[nH]c3ccccc23)[C@H]1C ZINC000994505093 647973716 /nfs/dbraw/zinc/97/37/16/647973716.db2.gz YWHGOXIHTIJKRN-GDBMZVCRSA-N 0 3 324.428 2.098 20 30 DEEDHN CCN1CCN(Cc2ccc(NC(=O)C#CC(C)C)cc2)CC1 ZINC000821917963 648134179 /nfs/dbraw/zinc/13/41/79/648134179.db2.gz LLKMCOYVIXOLKK-UHFFFAOYSA-N 0 3 313.445 2.422 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CC[C@@H](NC(=O)c2ccon2)C1 ZINC000994778341 648357573 /nfs/dbraw/zinc/35/75/73/648357573.db2.gz YUCUJDKBZMSKRW-XJKSGUPXSA-N 0 3 324.384 2.235 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC000994831281 648383091 /nfs/dbraw/zinc/38/30/91/648383091.db2.gz BLCJXRMECNXARV-XJKSGUPXSA-N 0 3 324.384 2.235 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)C[C@@H]1C ZINC000947877851 648435171 /nfs/dbraw/zinc/43/51/71/648435171.db2.gz GKALQCSIYHKNCL-WFASDCNBSA-N 0 3 315.417 2.466 20 30 DEEDHN COC(=O)N[C@@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000068335907 648445686 /nfs/dbraw/zinc/44/56/86/648445686.db2.gz USXLDWGRMVPRQL-MNOVXSKESA-N 0 3 309.391 2.399 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181381656 648636267 /nfs/dbraw/zinc/63/62/67/648636267.db2.gz SSABGNREFWXXDK-UONOGXRCSA-N 0 3 315.417 2.155 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)CN(C)CC(C)(C)C)C(=O)OCC ZINC000825147381 648710920 /nfs/dbraw/zinc/71/09/20/648710920.db2.gz MBRQDFYKAKUJOL-LBPRGKRZSA-N 0 3 318.845 2.155 20 30 DEEDHN C#CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000825573941 648782564 /nfs/dbraw/zinc/78/25/64/648782564.db2.gz IFUBWLVZIYJULI-GOSISDBHSA-N 0 3 313.445 2.214 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(OC)no2)C(C)(C)C1 ZINC000940694996 648926060 /nfs/dbraw/zinc/92/60/60/648926060.db2.gz KDOIHAXOCFVEFS-CYBMUJFWSA-N 0 3 307.394 2.090 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3cccnc3n2)C[C@H]1C ZINC000947327765 648952265 /nfs/dbraw/zinc/95/22/65/648952265.db2.gz IUFHMFDUYWVVGD-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(COC)o2)C(C)(C)C1 ZINC000940879276 648961286 /nfs/dbraw/zinc/96/12/86/648961286.db2.gz RFXTVHNDKVCEHC-HNNXBMFYSA-N 0 3 306.406 2.442 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nc(C)n2)C(C)(C)C1 ZINC000941094167 649003041 /nfs/dbraw/zinc/00/30/41/649003041.db2.gz 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/nfs/dbraw/zinc/09/00/86/649090086.db2.gz DKUIRZKZANRXRY-UHFFFAOYSA-N 0 3 307.390 2.184 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](C)C1 ZINC000942053499 649143666 /nfs/dbraw/zinc/14/36/66/649143666.db2.gz QCRYNTNPZQQIRL-BBRMVZONSA-N 0 3 312.417 2.269 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000942127950 649163676 /nfs/dbraw/zinc/16/36/76/649163676.db2.gz ABSIINPSUAPDJC-BLLLJJGKSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c(CC)c2Cl)[C@@H](C)C1 ZINC000942134332 649166244 /nfs/dbraw/zinc/16/62/44/649166244.db2.gz LUFQBULEQBADIC-JQWIXIFHSA-N 0 3 310.829 2.252 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnc(-c3ccco3)c2)[C@H](C)C1 ZINC000942164995 649172514 /nfs/dbraw/zinc/17/25/14/649172514.db2.gz WQOBHNRFGJLTPL-ZBFHGGJFSA-N 0 3 323.396 2.415 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnc(-c3ccco3)c2)[C@@H](C)C1 ZINC000942164993 649172904 /nfs/dbraw/zinc/17/29/04/649172904.db2.gz WQOBHNRFGJLTPL-GOEBONIOSA-N 0 3 323.396 2.415 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](C)C1 ZINC000942269864 649193863 /nfs/dbraw/zinc/19/38/63/649193863.db2.gz AOIUTNPJTDUDNK-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@H](C)C1 ZINC000942395256 649214709 /nfs/dbraw/zinc/21/47/09/649214709.db2.gz XCICULJFUIWZRW-NVXWUHKLSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccnc2C(F)F)[C@H](C)C1 ZINC000942405848 649217265 /nfs/dbraw/zinc/21/72/65/649217265.db2.gz IFBIKSCGTCSULH-TZMCWYRMSA-N 0 3 321.371 2.483 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2conc2C(F)(F)F)[C@H](C)C1 ZINC000942497076 649226280 /nfs/dbraw/zinc/22/62/80/649226280.db2.gz PKMBKVNKORBCSV-MWLCHTKSSA-N 0 3 317.311 2.320 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3ccc(C)cn23)[C@H](C)C1 ZINC000942484667 649227067 /nfs/dbraw/zinc/22/70/67/649227067.db2.gz DPWMOMFZVUPNDY-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccc3occc32)[C@H](C)C1 ZINC000942528129 649234709 /nfs/dbraw/zinc/23/47/09/649234709.db2.gz 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ZINC000943208523 649350176 /nfs/dbraw/zinc/35/01/76/649350176.db2.gz LRYVBEWRWARELP-HOCLYGCPSA-N 0 3 322.412 2.150 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCCc2c(F)cccc2F)C1 ZINC000829783747 649355177 /nfs/dbraw/zinc/35/51/77/649355177.db2.gz BRPCEYYPIIPTAK-AWEZNQCLSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)[C@H](C)C1 ZINC000943333857 649368141 /nfs/dbraw/zinc/36/81/41/649368141.db2.gz JRYXNBNMDXSJRB-DYVFJYSZSA-N 0 3 323.396 2.014 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(CCC)nc2C)[C@H](C)C1 ZINC000943761341 649423452 /nfs/dbraw/zinc/42/34/52/649423452.db2.gz LHWMDODZDMDZEQ-CJNGLKHVSA-N 0 3 304.438 2.228 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)nn2C)[C@H](C)C1 ZINC000943947239 649461323 /nfs/dbraw/zinc/46/13/23/649461323.db2.gz FXTRVGVWOCLJHV-HUUCEWRRSA-N 0 3 316.449 2.007 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c3ccccc3nn2C)[C@H](C)C1 ZINC000943964146 649466540 /nfs/dbraw/zinc/46/65/40/649466540.db2.gz DCBDKSNOMAAAOA-GDBMZVCRSA-N 0 3 324.428 2.037 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2OC)[C@@H](C)C1 ZINC000944228781 649500667 /nfs/dbraw/zinc/50/06/67/649500667.db2.gz TWYSHDPYMDDFRG-DOTOQJQBSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(OC)cccc2OC)[C@H](C)C1 ZINC000944319683 649511430 /nfs/dbraw/zinc/51/14/30/649511430.db2.gz YNKFMMMJWGEFAS-KGLIPLIRSA-N 0 3 318.417 2.330 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000944534086 649530877 /nfs/dbraw/zinc/53/08/77/649530877.db2.gz RKLBSUQPGNZOOU-MAUKXSAKSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2OCC)[C@@H](C)C1 ZINC000944532408 649531107 /nfs/dbraw/zinc/53/11/07/649531107.db2.gz LYNGDVMNPUDABN-HOCLYGCPSA-N 0 3 300.402 2.159 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000995567071 649549730 /nfs/dbraw/zinc/54/97/30/649549730.db2.gz VPJYLHUSJQNKBJ-NHYWBVRUSA-N 0 3 321.371 2.451 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000947915517 649567575 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/nfs/dbraw/zinc/06/19/30/684061930.db2.gz GBLYCDDJZFRSMA-NFAWXSAZSA-N 0 3 315.373 2.324 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1F)C2 ZINC001054075791 693833137 /nfs/dbraw/zinc/83/31/37/693833137.db2.gz QACANAJWXDYQLH-GOSISDBHSA-N 0 3 300.377 2.387 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cccc(F)c1)C2 ZINC001054076866 693833687 /nfs/dbraw/zinc/83/36/87/693833687.db2.gz KNYRBBDSIIBIQS-GOSISDBHSA-N 0 3 300.377 2.387 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1c(C)noc1C)C2 ZINC001054083301 693835796 /nfs/dbraw/zinc/83/57/96/693835796.db2.gz AQVKWDXILIPQII-SFHVURJKSA-N 0 3 315.417 2.243 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1scnc1C)C2 ZINC001054092737 693840727 /nfs/dbraw/zinc/84/07/27/693840727.db2.gz QYRMZXSEXXUMEB-KRWDZBQOSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccnc(F)c1)C2 ZINC001054099299 693843475 /nfs/dbraw/zinc/84/34/75/693843475.db2.gz DXURIBOWQFUTJC-GOSISDBHSA-N 0 3 315.392 2.172 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)SC)C2 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C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#C)cc1)C2 ZINC001054173644 693871250 /nfs/dbraw/zinc/87/12/50/693871250.db2.gz DTFFXIVMHRCSPN-HXUWFJFHSA-N 0 3 306.409 2.229 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1coc(C3CC3)n1)C2 ZINC001054210062 693883254 /nfs/dbraw/zinc/88/32/54/693883254.db2.gz FAUGJQVMUYNLNA-GOSISDBHSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1coc(C3CC3)n1)C2 ZINC001054210063 693883580 /nfs/dbraw/zinc/88/35/80/693883580.db2.gz FAUGJQVMUYNLNA-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccco1)C2 ZINC001054216835 693885575 /nfs/dbraw/zinc/88/55/75/693885575.db2.gz GJXFZXYDVLMPFW-GOSISDBHSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C)nc1C)C2 ZINC001054243621 693897823 /nfs/dbraw/zinc/89/78/23/693897823.db2.gz KEGNETOFSFBIND-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c(C)nsc1C)C2 ZINC001054246175 693899209 /nfs/dbraw/zinc/89/92/09/693899209.db2.gz PYYNLNLGUBYPEX-KRWDZBQOSA-N 0 3 317.458 2.321 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(C2CC2)[nH]n1 ZINC000193470914 685041607 /nfs/dbraw/zinc/04/16/07/685041607.db2.gz JHQISCNKHATACH-NSHDSACASA-N 0 3 324.340 2.257 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054314428 693925219 /nfs/dbraw/zinc/92/52/19/693925219.db2.gz UIFALJFOMSHHRD-SJKOYZFVSA-N 0 3 315.392 2.434 20 30 DEEDHN COc1cccc([C@H](O)C2CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000860136169 685890039 /nfs/dbraw/zinc/89/00/39/685890039.db2.gz XXCJKFPTKZCQDA-RDTXWAMCSA-N 0 3 318.417 2.369 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1cc(F)cc(F)c1 ZINC001054636030 694011273 /nfs/dbraw/zinc/01/12/73/694011273.db2.gz IZVLYZANOWNIHX-PXAZEXFGSA-N 0 3 318.367 2.315 20 30 DEEDHN N#CC[C@@H](O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000929896911 694050559 /nfs/dbraw/zinc/05/05/59/694050559.db2.gz JJHPZITZLZUWQW-CQSZACIVSA-N 0 3 302.374 2.091 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cnc(C)nc2)C1 ZINC001054971199 694084000 /nfs/dbraw/zinc/08/40/00/694084000.db2.gz MTHXTVCWEKYGTD-CJNGLKHVSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCN1CC(=O)N([C@H]2CCN(Cc3ccc(C)cc3)C2)C1=O ZINC000865319018 687177239 /nfs/dbraw/zinc/17/72/39/687177239.db2.gz CXSFFPUFUFGIRW-INIZCTEOSA-N 0 3 313.401 2.020 20 30 DEEDHN C=CC[C@H](CO)CNCc1cc(Br)cnc1OC ZINC000865519889 687244517 /nfs/dbraw/zinc/24/45/17/687244517.db2.gz HATTUHWKEHVMNJ-JTQLQIEISA-N 0 3 315.211 2.127 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001015782821 687419694 /nfs/dbraw/zinc/41/96/94/687419694.db2.gz IUPSWKHPFZADCN-INIZCTEOSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001015839094 687437873 /nfs/dbraw/zinc/43/78/73/687437873.db2.gz FLLWGGZKJMWKSW-AWEZNQCLSA-N 0 3 302.393 2.317 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)cn1 ZINC001016028681 687504441 /nfs/dbraw/zinc/50/44/41/687504441.db2.gz ATKZNEFWXBQGJM-IBGZPJMESA-N 0 3 319.408 2.376 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CCc3ccccc3)C2)cn1 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C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(C)c2F)CC1 ZINC001016639921 687671079 /nfs/dbraw/zinc/67/10/79/687671079.db2.gz ZZAUJPWQUWVEGD-HNNXBMFYSA-N 0 3 300.377 2.352 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001016677379 687680737 /nfs/dbraw/zinc/68/07/37/687680737.db2.gz YPXLRMICNUPKOT-MRXNPFEDSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3oc(C)nc3c2)CC1 ZINC001016683422 687681404 /nfs/dbraw/zinc/68/14/04/687681404.db2.gz UUYODTZUGOXGTK-QGZVFWFLSA-N 0 3 323.396 2.354 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2c[nH]nc2C(C)C)CC1 ZINC001016708652 687687161 /nfs/dbraw/zinc/68/71/61/687687161.db2.gz GKGDGSNNYTXJBQ-HNNXBMFYSA-N 0 3 314.433 2.141 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2coc(C3CC3)n2)CC1 ZINC001016864593 687721786 /nfs/dbraw/zinc/72/17/86/687721786.db2.gz GXJTVPFPDIOPDL-OAHLLOKOSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cnoc2C(C)C)CC1 ZINC001016906105 687731589 /nfs/dbraw/zinc/73/15/89/687731589.db2.gz 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ZINC000876560970 689856568 /nfs/dbraw/zinc/85/65/68/689856568.db2.gz IJQZGVIEAZHFDJ-GFCCVEGCSA-N 0 3 303.189 2.305 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000876563640 689858017 /nfs/dbraw/zinc/85/80/17/689858017.db2.gz BKFWZSYWJXWLEU-ZWNOBZJWSA-N 0 3 312.797 2.351 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001034466163 689859647 /nfs/dbraw/zinc/85/96/47/689859647.db2.gz ZASHZPDEADPLBZ-HNNXBMFYSA-N 0 3 315.417 2.235 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000876573107 689861488 /nfs/dbraw/zinc/86/14/88/689861488.db2.gz MMTJBIBXTTYQJX-CVEARBPZSA-N 0 3 322.836 2.429 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000876585058 689866374 /nfs/dbraw/zinc/86/63/74/689866374.db2.gz XKQSOEVBKJMDCV-GFCCVEGCSA-N 0 3 309.797 2.153 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCOC)CCc1ccccc1 ZINC000876601225 689872433 /nfs/dbraw/zinc/87/24/33/689872433.db2.gz YMKGYKKKQFCJLG-OAHLLOKOSA-N 0 3 310.825 2.174 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000876623775 689879940 /nfs/dbraw/zinc/87/99/40/689879940.db2.gz UAQYBDFCCPOPMK-VXGBXAGGSA-N 0 3 324.812 2.471 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(OCC(F)F)c1 ZINC000876640716 689885098 /nfs/dbraw/zinc/88/50/98/689885098.db2.gz CLFQLVHJPVPFSI-GFCCVEGCSA-N 0 3 318.751 2.417 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@H](CCC(N)=O)C1 ZINC000876650119 689888959 /nfs/dbraw/zinc/88/89/59/689888959.db2.gz NTQAOQSEZPAXCQ-CQSZACIVSA-N 0 3 314.433 2.102 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000876658550 689892702 /nfs/dbraw/zinc/89/27/02/689892702.db2.gz YYTFBMBEDFLYRF-GDBMZVCRSA-N 0 3 308.809 2.231 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 ZINC000876682451 689901100 /nfs/dbraw/zinc/90/11/00/689901100.db2.gz KBWWMLGGYCNFHS-ZYHUDNBSSA-N 0 3 321.808 2.102 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000876687514 689903284 /nfs/dbraw/zinc/90/32/84/689903284.db2.gz QAGMTTYZKJGPKZ-CYBMUJFWSA-N 0 3 309.797 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000876720413 689914607 /nfs/dbraw/zinc/91/46/07/689914607.db2.gz HSGLFNYTPWWAJK-VIFPVBQESA-N 0 3 323.702 2.431 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000876726832 689917857 /nfs/dbraw/zinc/91/78/57/689917857.db2.gz ADTNMJGTQOSRNX-DZGCQCFKSA-N 0 3 307.825 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000876750988 689927046 /nfs/dbraw/zinc/92/70/46/689927046.db2.gz ZHYUJRCIBOBEGK-SNVBAGLBSA-N 0 3 313.854 2.151 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccccc1OC(F)F ZINC000876874736 689960691 /nfs/dbraw/zinc/96/06/91/689960691.db2.gz JWTOSXOJKXAPMC-LLVKDONJSA-N 0 3 318.751 2.417 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000876900269 689968139 /nfs/dbraw/zinc/96/81/39/689968139.db2.gz HAIYHCCTSOMDPV-RWMBFGLXSA-N 0 3 300.830 2.262 20 30 DEEDHN CC[C@H](OC)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034876584 689975657 /nfs/dbraw/zinc/97/56/57/689975657.db2.gz DACOGQUJLGZCCT-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000876942507 689979030 /nfs/dbraw/zinc/97/90/30/689979030.db2.gz YVWWBLCHCSGHGH-CYBMUJFWSA-N 0 3 300.830 2.408 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC001034887632 689979411 /nfs/dbraw/zinc/97/94/11/689979411.db2.gz YUQPAMBTBWJQCL-BXUZGUMPSA-N 0 3 307.344 2.205 20 30 DEEDHN C[C@@H](CCNCc1cccc(C#N)n1)NC(=O)OC(C)(C)C ZINC000877023068 689999561 /nfs/dbraw/zinc/99/95/61/689999561.db2.gz CJIMKVHAWBACEO-LBPRGKRZSA-N 0 3 304.394 2.346 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)c(F)c1 ZINC001035018128 690011615 /nfs/dbraw/zinc/01/16/15/690011615.db2.gz MDIRIEUFCXEFEM-DAXOMENPSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001035036003 690016705 /nfs/dbraw/zinc/01/67/05/690016705.db2.gz UIKIUFKOOTUVAN-WBVHZDCISA-N 0 3 304.438 2.103 20 30 DEEDHN C[C@H]1CCN[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC000877216729 690048637 /nfs/dbraw/zinc/04/86/37/690048637.db2.gz XYVKRIBLFCJZRM-GUYCJALGSA-N 0 3 323.400 2.130 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCSCCC(F)(F)F ZINC000877241559 690054617 /nfs/dbraw/zinc/05/46/17/690054617.db2.gz SUVZPGQQDCPDJN-QMMMGPOBSA-N 0 3 304.765 2.258 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000877567627 690154366 /nfs/dbraw/zinc/15/43/66/690154366.db2.gz ZIVZGNGBMYIUHP-CABCVRRESA-N 0 3 305.809 2.493 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(F)cn1)CC2 ZINC001035693694 690154851 /nfs/dbraw/zinc/15/48/51/690154851.db2.gz YWAUEPFLVVXVGZ-UHFFFAOYSA-N 0 3 303.381 2.335 20 30 DEEDHN COC1([C@@H](C)NCc2cc(C#N)cnc2Cl)CCOCC1 ZINC000877596331 690162681 /nfs/dbraw/zinc/16/26/81/690162681.db2.gz LEMAEORUDULLIS-LLVKDONJSA-N 0 3 309.797 2.280 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnc(Cl)n1C)CC2 ZINC001035748592 690167056 /nfs/dbraw/zinc/16/70/56/690167056.db2.gz TYEJNVRGWIJVHT-UHFFFAOYSA-N 0 3 322.840 2.188 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)C(F)(F)F)CC2 ZINC001035769159 690171909 /nfs/dbraw/zinc/17/19/09/690171909.db2.gz VWVNUJXZCIEYQH-GFCCVEGCSA-N 0 3 302.340 2.133 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)[C@@H]1CCCO1)CC2 ZINC001035791286 690177289 /nfs/dbraw/zinc/17/72/89/690177289.db2.gz JUSIWHMAOUVTAE-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCCCCCN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000877645546 690177640 /nfs/dbraw/zinc/17/76/40/690177640.db2.gz ONPODAMIRLRWDX-ZWKOTPCHSA-N 0 3 313.445 2.421 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnn(CCC)c1)CC2 ZINC001035810601 690182339 /nfs/dbraw/zinc/18/23/39/690182339.db2.gz XYOTZQWXPNRCGX-UHFFFAOYSA-N 0 3 316.449 2.407 20 30 DEEDHN CN(C)C[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)c(Cl)c1 ZINC000931255443 694349623 /nfs/dbraw/zinc/34/96/23/694349623.db2.gz HFFXQBPMMWYQPT-BXUZGUMPSA-N 0 3 316.232 2.460 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCO[C@@H](C)C1)CC2 ZINC001035823559 690185706 /nfs/dbraw/zinc/18/57/06/690185706.db2.gz JXOBGONTUTTXAD-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN COc1ccc(C[C@@](C)(CO)NCc2cccc(C#N)n2)cc1 ZINC000877831084 690245709 /nfs/dbraw/zinc/24/57/09/690245709.db2.gz OZXRISOSPCBSKM-SFHVURJKSA-N 0 3 311.385 2.045 20 30 DEEDHN N#CCC1(CN2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000878431915 690405827 /nfs/dbraw/zinc/40/58/27/690405827.db2.gz SXHPFCSXVGJYSF-CQSZACIVSA-N 0 3 310.401 2.213 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H]1CCO)c1ccccc1 ZINC000878465925 690415667 /nfs/dbraw/zinc/41/56/67/690415667.db2.gz HXZSNIDVHVQXNV-MSOLQXFVSA-N 0 3 300.402 2.274 20 30 DEEDHN CCC1(N2CCOCC2)CCN(Cc2cncc(C#N)c2)CC1 ZINC000931329897 694371076 /nfs/dbraw/zinc/37/10/76/694371076.db2.gz ZJUNAKMBVCUVEV-UHFFFAOYSA-N 0 3 314.433 2.030 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H](C)[C@H](O)[C@@H](C)C1)c1ccccc1 ZINC000878936874 690531824 /nfs/dbraw/zinc/53/18/24/690531824.db2.gz YIXUDSBMRGOABI-LVFSCSRESA-N 0 3 314.429 2.376 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@H]2COC[C@]2(C)C1)c1ccccc1 ZINC000878948763 690535739 /nfs/dbraw/zinc/53/57/39/690535739.db2.gz FTOQEIPYCIPPNT-GBESFXJTSA-N 0 3 312.413 2.395 20 30 DEEDHN CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1cc(C)no1 ZINC001037839786 690620936 /nfs/dbraw/zinc/62/09/36/690620936.db2.gz MYBXRQMVOFQGGH-NVXWUHKLSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2nccn2C)[C@@H](CC)C1 ZINC001037906515 690638142 /nfs/dbraw/zinc/63/81/42/690638142.db2.gz RQGYVHVAMWCUEB-GJZGRUSLSA-N 0 3 318.465 2.349 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(CC[C@H]2CCCO2)CC1 ZINC000879590347 690682470 /nfs/dbraw/zinc/68/24/70/690682470.db2.gz ZLWPLMCGVVVKRM-MRXNPFEDSA-N 0 3 303.381 2.388 20 30 DEEDHN C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1[O-] ZINC000879648022 690698671 /nfs/dbraw/zinc/69/86/71/690698671.db2.gz WACBABALPNCNEV-CYBMUJFWSA-N 0 3 301.390 2.385 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)[C@]1(C#N)CCCOC1)c1ccco1 ZINC000879926498 690755641 /nfs/dbraw/zinc/75/56/41/690755641.db2.gz UGZQOXQDCBYJFP-VBQJREDUSA-N 0 3 319.405 2.145 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001038259846 690760798 /nfs/dbraw/zinc/76/07/98/690760798.db2.gz BVBGJHNZOKQDCW-INIZCTEOSA-N 0 3 316.449 2.454 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001038291668 690770205 /nfs/dbraw/zinc/77/02/05/690770205.db2.gz BOESXCKYJLZFRW-AWEZNQCLSA-N 0 3 312.369 2.173 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038307250 690775873 /nfs/dbraw/zinc/77/58/73/690775873.db2.gz XXCWOMPTQQSKGN-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038327965 690783049 /nfs/dbraw/zinc/78/30/49/690783049.db2.gz KXGGWEVFQSEADQ-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038331589 690784857 /nfs/dbraw/zinc/78/48/57/690784857.db2.gz JLWWKPMZFHLXRX-HNNXBMFYSA-N 0 3 300.402 2.140 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001038339049 690786304 /nfs/dbraw/zinc/78/63/04/690786304.db2.gz FDJSLWCZDIRLGD-OAHLLOKOSA-N 0 3 315.417 2.435 20 30 DEEDHN C=C(C)CN1CC[C@H]1CNC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001038453421 690827681 /nfs/dbraw/zinc/82/76/81/690827681.db2.gz YXZQYNZHZSEIEG-NSHDSACASA-N 0 3 308.813 2.321 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2nc(C)n(C)c2c1 ZINC001038584865 690867634 /nfs/dbraw/zinc/86/76/34/690867634.db2.gz BFMVHFBXXBDBJC-OAHLLOKOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H]2CCN2CC[C@H]2CCCO2)CC1 ZINC001038660025 690888757 /nfs/dbraw/zinc/88/87/57/690888757.db2.gz DPCPNEKNVWRRPY-IAGOWNOFSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001038924992 690968129 /nfs/dbraw/zinc/96/81/29/690968129.db2.gz DCORWOHNKNRMKY-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038977406 690982376 /nfs/dbraw/zinc/98/23/76/690982376.db2.gz PVECIOMUVONINT-KRWDZBQOSA-N 0 3 313.445 2.449 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(OC)c(OC)c1 ZINC001038982366 690983288 /nfs/dbraw/zinc/98/32/88/690983288.db2.gz OGCMBCSXEMSODL-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(Cl)CN1CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039041004 691001503 /nfs/dbraw/zinc/00/15/03/691001503.db2.gz WZCGNWOGFBIDAR-INIZCTEOSA-N 0 3 321.852 2.305 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001039113416 691023389 /nfs/dbraw/zinc/02/33/89/691023389.db2.gz QUWLRSMVGFKNHF-DOMZBBRYSA-N 0 3 309.841 2.459 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)Nc1cccc(CC#N)n1 ZINC000881151877 691038589 /nfs/dbraw/zinc/03/85/89/691038589.db2.gz AGPDQPPBXRJDPC-UHFFFAOYSA-N 0 3 303.410 2.199 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC(F)(F)C2)C1 ZINC001039202750 691052646 /nfs/dbraw/zinc/05/26/46/691052646.db2.gz KZRQQXNLPFGQHC-UKRRQHHQSA-N 0 3 310.388 2.368 20 30 DEEDHN COc1ccc([C@@H]2CN(Cc3cncc(C#N)c3)CCN2)cc1 ZINC000931546391 694425062 /nfs/dbraw/zinc/42/50/62/694425062.db2.gz GPLJMSMEQLCFPT-SFHVURJKSA-N 0 3 308.385 2.108 20 30 DEEDHN 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/nfs/dbraw/zinc/73/00/79/691730079.db2.gz OFGIQOFQGACTEX-TVRKMHQQSA-N 0 3 311.429 2.102 20 30 DEEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CCC(F)CC1 ZINC000884413663 691733206 /nfs/dbraw/zinc/73/32/06/691733206.db2.gz ZKRUEMXRWWCEIY-HZLZWUPRSA-N 0 3 307.413 2.159 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC3CC1(c1ccccc1)C3)C2 ZINC000884421442 691734810 /nfs/dbraw/zinc/73/48/10/691734810.db2.gz UMBXMBGDTITRNY-KVRNTEONSA-N 0 3 321.424 2.273 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC3CC1(c1ccccc1)C3)C2 ZINC000884421441 691734817 /nfs/dbraw/zinc/73/48/17/691734817.db2.gz UMBXMBGDTITRNY-AEERLPLZSA-N 0 3 321.424 2.273 20 30 DEEDHN CCOC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000884733634 691792414 /nfs/dbraw/zinc/79/24/14/691792414.db2.gz JONOSULMPBNXEQ-HZPDHXFCSA-N 0 3 314.385 2.171 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccccc2C#N)CCN1C(=O)c1cn[nH]c1 ZINC001044486807 691840472 /nfs/dbraw/zinc/84/04/72/691840472.db2.gz RPPJTZJCRRQWNO-CXAGYDPISA-N 0 3 323.400 2.064 20 30 DEEDHN Cc1nc(C)c(CN[C@H]2CCN(C(=O)C#CC3CC3)[C@@H](C)C2)o1 ZINC001044603460 691856055 /nfs/dbraw/zinc/85/60/55/691856055.db2.gz QTRSUZVHAKJKKK-LRDDRELGSA-N 0 3 315.417 2.174 20 30 DEEDHN Cc1csc(CN[C@@H]2CCN(C(=O)C#CC3CC3)[C@H](C)C2)n1 ZINC001044602898 691856192 /nfs/dbraw/zinc/85/61/92/691856192.db2.gz PIJYHQDSDMDAQX-UKRRQHHQSA-N 0 3 317.458 2.334 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001044937996 691916151 /nfs/dbraw/zinc/91/61/51/691916151.db2.gz IFVYGTKDQRCGBF-NEPJUHHUSA-N 0 3 323.487 2.452 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H]1CNCc1ccccc1F ZINC001045030462 691932020 /nfs/dbraw/zinc/93/20/20/691932020.db2.gz GHWWAAOIKCYUKM-INIZCTEOSA-N 0 3 300.377 2.320 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC001045151537 691942018 /nfs/dbraw/zinc/94/20/18/691942018.db2.gz MDIRIEUFCXEFEM-UHOFOFEASA-N 0 3 315.392 2.434 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@H]2CNCc2cn(C)nc2C)C1 ZINC001045191224 691950181 /nfs/dbraw/zinc/95/01/81/691950181.db2.gz 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C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001045961543 692062717 /nfs/dbraw/zinc/06/27/17/692062717.db2.gz QRIBOXSQDGKLAL-FAJBIJEISA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ccn(C)c1C)C2 ZINC001045963121 692063778 /nfs/dbraw/zinc/06/37/78/692063778.db2.gz GEODQYODLCYNKZ-IBGZPJMESA-N 0 3 313.445 2.285 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1nccs1)C2 ZINC001045977219 692067724 /nfs/dbraw/zinc/06/77/24/692067724.db2.gz SXAYYSJTPLEPNB-KRWDZBQOSA-N 0 3 317.458 2.485 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C(C)(CC)CC)CC2)C1 ZINC001046086180 692081909 /nfs/dbraw/zinc/08/19/09/692081909.db2.gz MWFMSUCKULJZNS-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCN(C(=O)/C=C\c1cnc(C)s1)C1CCN(C)CC1 ZINC000886572280 692113563 /nfs/dbraw/zinc/11/35/63/692113563.db2.gz FXPPYKLRJPZWJU-WAYWQWQTSA-N 0 3 303.431 2.021 20 30 DEEDHN C#CCN1CCC[C@H](N[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000886663408 692152159 /nfs/dbraw/zinc/15/21/59/692152159.db2.gz ZXXWVZVHYQTHBP-HOTGVXAUSA-N 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C#CCCN1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001046917995 692331483 /nfs/dbraw/zinc/33/14/83/692331483.db2.gz SKTCRJDYIKPRKF-AWEZNQCLSA-N 0 3 323.387 2.044 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928389 692337008 /nfs/dbraw/zinc/33/70/08/692337008.db2.gz QNMAWQBPOFRABN-CYBMUJFWSA-N 0 3 322.359 2.149 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C/C=C\Cl)C3)[nH]1 ZINC001047055610 692365005 /nfs/dbraw/zinc/36/50/05/692365005.db2.gz WCHHZPVKUHLVPS-JLZIYCQNSA-N 0 3 318.808 2.222 20 30 DEEDHN C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001047539048 692434751 /nfs/dbraw/zinc/43/47/51/692434751.db2.gz CGQFNRXZSAJJKP-IRXDYDNUSA-N 0 3 320.408 2.217 20 30 DEEDHN C#CCSCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000887900699 692475342 /nfs/dbraw/zinc/47/53/42/692475342.db2.gz UCOULXREMVWANK-UHFFFAOYSA-N 0 3 306.431 2.069 20 30 DEEDHN Cc1nc(CN[C@H](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)c(C)o1 ZINC001047834330 692496355 /nfs/dbraw/zinc/49/63/55/692496355.db2.gz 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C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc(C2CC2)o1 ZINC001049528002 692912845 /nfs/dbraw/zinc/91/28/45/692912845.db2.gz YZNSNUNBTOEQNE-GJZGRUSLSA-N 0 3 313.401 2.254 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccn2nccc12 ZINC001049568488 692924325 /nfs/dbraw/zinc/92/43/25/692924325.db2.gz USCIMYLAKMQVPJ-QZTJIDSGSA-N 0 3 322.412 2.037 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)cc(C)[nH]c1=O ZINC001049624272 692944203 /nfs/dbraw/zinc/94/42/03/692944203.db2.gz GWBWJJRGPYUXRP-CABCVRRESA-N 0 3 315.417 2.269 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2[nH]ncc21 ZINC001049630269 692946318 /nfs/dbraw/zinc/94/63/18/692946318.db2.gz KTVVEWLBZXLGQC-IRXDYDNUSA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccnc(OCC)c1 ZINC001049705351 692969726 /nfs/dbraw/zinc/96/97/26/692969726.db2.gz DKPJMHCSODZOPL-HZPDHXFCSA-N 0 3 315.417 2.345 20 30 DEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ocnc1CC ZINC001049706186 692970136 /nfs/dbraw/zinc/97/01/36/692970136.db2.gz 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C#CCN1CCC2(CN(C(=O)C[C@@H]3CCC[C@@H](OC)C3)C2)CC1 ZINC001050539099 693203553 /nfs/dbraw/zinc/20/35/53/693203553.db2.gz LVVGYICYYOKRDZ-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3cc4c(o3)CCCC4)C2)CC1 ZINC001050545744 693204469 /nfs/dbraw/zinc/20/44/69/693204469.db2.gz TULNMBHSTQVMGB-UHFFFAOYSA-N 0 3 312.413 2.330 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)CC1 ZINC001050608884 693215851 /nfs/dbraw/zinc/21/58/51/693215851.db2.gz RNPMSFPWDMNIIX-UHFFFAOYSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)Cc3cc(F)ccc3F)C2)CC1 ZINC001050637149 693220925 /nfs/dbraw/zinc/22/09/25/693220925.db2.gz ANWRNZVTSUOFRC-UHFFFAOYSA-N 0 3 318.367 2.065 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ncoc3C(C)C)C2)CC1 ZINC001050721376 693238028 /nfs/dbraw/zinc/23/80/28/693238028.db2.gz AWYWUPAUUOLQEW-UHFFFAOYSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3csc(C4CC4)n3)C2)CC1 ZINC001050769969 693247559 /nfs/dbraw/zinc/24/75/59/693247559.db2.gz LVQLYEWFODUZIF-UHFFFAOYSA-N 0 3 315.442 2.192 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925324424 693257854 /nfs/dbraw/zinc/25/78/54/693257854.db2.gz ISYJRUABXTWIOY-YOEHRIQHSA-N 0 3 312.417 2.348 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001051461137 693360780 /nfs/dbraw/zinc/36/07/80/693360780.db2.gz YZJPBXITTOWFEB-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001051752084 693388279 /nfs/dbraw/zinc/38/82/79/693388279.db2.gz CYNHWEYWEFPVTH-INIZCTEOSA-N 0 3 317.433 2.001 20 30 DEEDHN COc1ccccc1CCNC(=O)CN[C@H](C)CC(C)(C)C#N ZINC000926349376 693435691 /nfs/dbraw/zinc/43/56/91/693435691.db2.gz XCHQSYBZIZZHHS-CQSZACIVSA-N 0 3 317.433 2.272 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N2CCN(CCCC)CC2)C1 ZINC001052061207 693436425 /nfs/dbraw/zinc/43/64/25/693436425.db2.gz UBTPLNXDMVMGNB-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001052093060 693440859 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C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001052410696 693528220 /nfs/dbraw/zinc/52/82/20/693528220.db2.gz USNKDJWDHUVEFN-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccnn2[C@H](C)CC)CC1 ZINC001052423578 693531251 /nfs/dbraw/zinc/53/12/51/693531251.db2.gz RUJFBBXYQWWXDS-CABCVRRESA-N 0 3 302.422 2.072 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ncc(C)cc2OC)CC1 ZINC001052453405 693539341 /nfs/dbraw/zinc/53/93/41/693539341.db2.gz PBUPMUPUYBUOKO-OAHLLOKOSA-N 0 3 315.417 2.006 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001052461768 693540191 /nfs/dbraw/zinc/54/01/91/693540191.db2.gz YDRDCGXEAHRRDJ-MGPQQGTHSA-N 0 3 322.840 2.236 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cnn3c2ccc(C)c3C)CC1 ZINC001052463014 693541095 /nfs/dbraw/zinc/54/10/95/693541095.db2.gz PGPTXAMCCNGDFU-MRXNPFEDSA-N 0 3 324.428 2.169 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccsc2COC)CC1 ZINC001052492242 693548057 /nfs/dbraw/zinc/54/80/57/693548057.db2.gz 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C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cscn2)C1 ZINC001053072775 693682974 /nfs/dbraw/zinc/68/29/74/693682974.db2.gz SCGWGZUKNOEOOT-HOCLYGCPSA-N 0 3 317.458 2.483 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cocn2)C1 ZINC001053078673 693684786 /nfs/dbraw/zinc/68/47/86/693684786.db2.gz VVIRSTRGXKLZMB-WBVHZDCISA-N 0 3 315.417 2.405 20 30 DEEDHN C#CCN(C)CCN(C(=O)c1ccc2cncn2c1C)C(C)C ZINC001332711268 1149882981 /nfs/dbraw/zinc/88/29/81/1149882981.db2.gz PQERGMNDKKLKKW-UHFFFAOYSA-N 0 3 312.417 2.058 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001332984743 1149943757 /nfs/dbraw/zinc/94/37/57/1149943757.db2.gz IXVXUZOCJQABKD-KRWDZBQOSA-N 0 3 318.461 2.047 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001344116135 1150797817 /nfs/dbraw/zinc/79/78/17/1150797817.db2.gz PGAIYTRZNRBGKF-BZUAXINKSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(C3CC3)nn2C)CC1 ZINC001347986437 1151111875 /nfs/dbraw/zinc/11/18/75/1151111875.db2.gz JCWMRRWWILJQOL-UHFFFAOYSA-N 0 3 303.410 2.069 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001350905571 1151424872 /nfs/dbraw/zinc/42/48/72/1151424872.db2.gz DZVRMHQWKFRGGM-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001402646642 1162425197 /nfs/dbraw/zinc/42/51/97/1162425197.db2.gz VQVQJTXVNGVVKT-XHSDSOJGSA-N 0 3 321.852 2.279 20 30 DEEDHN C=CCCCC(=O)NCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001350997094 1151446789 /nfs/dbraw/zinc/44/67/89/1151446789.db2.gz XYDPRESELNVIQC-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001351103042 1151470558 /nfs/dbraw/zinc/47/05/58/1151470558.db2.gz QOMNWFWEYPFMRC-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc(C)n1C[C@H](c1ccccc1)N(C)C ZINC001300273972 1151826095 /nfs/dbraw/zinc/82/60/95/1151826095.db2.gz IEYZYZUYJHYGEW-RHSMWYFYSA-N 0 3 311.433 2.347 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc(C)n1C[C@@H](c1ccccc1)N(C)C ZINC001300273976 1151826134 /nfs/dbraw/zinc/82/61/34/1151826134.db2.gz IEYZYZUYJHYGEW-YOEHRIQHSA-N 0 3 311.433 2.347 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001355145483 1151987243 /nfs/dbraw/zinc/98/72/43/1151987243.db2.gz TWGJHTADNXZKEW-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(CCc2ccns2)CC1(C)C ZINC001402799447 1162475593 /nfs/dbraw/zinc/47/55/93/1162475593.db2.gz OIOJBGJJUANMFL-GXTWGEPZSA-N 0 3 320.462 2.062 20 30 DEEDHN C#CCCCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001358919541 1152527472 /nfs/dbraw/zinc/52/74/72/1152527472.db2.gz DZLAGMSOGNEQJS-UHFFFAOYSA-N 0 3 315.465 2.347 20 30 DEEDHN C[C@H](CNC(=O)CC(F)(F)F)NCc1ccc(F)c(C#N)c1 ZINC001402841574 1162493289 /nfs/dbraw/zinc/49/32/89/1162493289.db2.gz UYORFYCXIRVVLP-SECBINFHSA-N 0 3 317.286 2.244 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001379635693 1152660181 /nfs/dbraw/zinc/66/01/81/1152660181.db2.gz BJLFLUBMPITIAQ-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C#N)N2CCCC2)cc1 ZINC001361849586 1152757875 /nfs/dbraw/zinc/75/78/75/1152757875.db2.gz YIKUCKYIIZOIMV-OIISXLGYSA-N 0 3 313.401 2.108 20 30 DEEDHN N#Cc1cnc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 ZINC001361981166 1152792935 /nfs/dbraw/zinc/79/29/35/1152792935.db2.gz KXLIMGPJGLCFSQ-CYBMUJFWSA-N 0 3 318.808 2.307 20 30 DEEDHN CCc1cccc(OCCN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)c1 ZINC001381508761 1153101915 /nfs/dbraw/zinc/10/19/15/1153101915.db2.gz KNQZXIIUONJNOP-LSDHHAIUSA-N 0 3 317.433 2.224 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)N(C)Cc2cccc(C#N)c2)no1 ZINC001381535329 1153113340 /nfs/dbraw/zinc/11/33/40/1153113340.db2.gz CISGZOWVYGPPTG-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC001362849087 1153113660 /nfs/dbraw/zinc/11/36/60/1153113660.db2.gz XNWKJBAGXXDFHO-ZBFHGGJFSA-N 0 3 315.417 2.315 20 30 DEEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC001362923038 1153144228 /nfs/dbraw/zinc/14/42/28/1153144228.db2.gz CMBWVCVFYIWAQC-CWRNSKLLSA-N 0 3 314.385 2.169 20 30 DEEDHN CCc1noc(C)c1CNC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001382527808 1153463638 /nfs/dbraw/zinc/46/36/38/1153463638.db2.gz RRMODAAXMXBRKL-IAQYHMDHSA-N 0 3 320.437 2.326 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cccnc1 ZINC001402958622 1162574405 /nfs/dbraw/zinc/57/44/05/1162574405.db2.gz RYRCELMXIMXJFM-RYUDHWBXSA-N 0 3 314.414 2.311 20 30 DEEDHN C[C@H](Cc1ccno1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001363901087 1153706798 /nfs/dbraw/zinc/70/67/98/1153706798.db2.gz HGFNACZHKHDCSG-CXAGYDPISA-N 0 3 324.384 2.262 20 30 DEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)c1cc[nH]c1 ZINC001402993020 1162607606 /nfs/dbraw/zinc/60/76/06/1162607606.db2.gz NNZTUPAJTJZEID-RYUDHWBXSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cn(C)cn1 ZINC001389345937 1155315212 /nfs/dbraw/zinc/31/52/12/1155315212.db2.gz MPUIPCGIWXWBHJ-JSGCOSHPSA-N 0 3 310.829 2.145 20 30 DEEDHN CCC[C@H](OC)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001389794249 1155433010 /nfs/dbraw/zinc/43/30/10/1155433010.db2.gz CPTYWSYUDDSURP-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NCc1ccc(F)c(C#N)c1 ZINC001371142921 1155735426 /nfs/dbraw/zinc/73/54/26/1155735426.db2.gz MBOGKWXDWYTOJX-LCSDZXHASA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001371773960 1156009048 /nfs/dbraw/zinc/00/90/48/1156009048.db2.gz REGWSVUBPCSTEG-YPMHNXCESA-N 0 3 324.856 2.316 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)c1cscn1 ZINC001391881180 1156823194 /nfs/dbraw/zinc/82/31/94/1156823194.db2.gz OOLMKIDQEMOBCU-GFCCVEGCSA-N 0 3 314.414 2.170 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cccc(F)c1F ZINC001392210147 1156891942 /nfs/dbraw/zinc/89/19/42/1156891942.db2.gz IEQDNTPMUFUJQT-SMDDNHRTSA-N 0 3 309.360 2.355 20 30 DEEDHN CCc1cccc(OCCN(C)CCN(C)C(=O)[C@@H](C)C#N)c1 ZINC001392264065 1156941950 /nfs/dbraw/zinc/94/19/50/1156941950.db2.gz BNDPNXRYPDUQRU-HNNXBMFYSA-N 0 3 317.433 2.178 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cscn1 ZINC001392548947 1157116835 /nfs/dbraw/zinc/11/68/35/1157116835.db2.gz GFSRDZWRFRFNPS-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Br)CNC[C@](C)(NC(=O)[C@H]1C[C@@H]1C)C1CC1 ZINC001373886764 1157433535 /nfs/dbraw/zinc/43/35/35/1157433535.db2.gz IXMZNDQXTDCCGP-WFBYXXMGSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cncnc2)CCCC[C@H]1C ZINC001373894591 1157440923 /nfs/dbraw/zinc/44/09/23/1157440923.db2.gz GNKLQINSRJCGFF-MLGOLLRUSA-N 0 3 322.840 2.497 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)CC3CC3)CC2)ccc1F ZINC001392878792 1157505658 /nfs/dbraw/zinc/50/56/58/1157505658.db2.gz NTIDFLJBBAICSW-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN Cc1ncccc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001392931221 1157546572 /nfs/dbraw/zinc/54/65/72/1157546572.db2.gz XRJIJADBWIJKFR-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN C[C@@H](CCNC(=O)c1cccnc1)NCc1ccccc1C#N ZINC001403451555 1162887268 /nfs/dbraw/zinc/88/72/68/1162887268.db2.gz YRKLFWAFRSKGOC-AWEZNQCLSA-N 0 3 308.385 2.251 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@H](C)N(C)C(=O)[C@H](C)C#N ZINC001374208898 1157728373 /nfs/dbraw/zinc/72/83/73/1157728373.db2.gz VUWPEPFSACSJGI-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001403455327 1162888539 /nfs/dbraw/zinc/88/85/39/1162888539.db2.gz PYWLASNNOIUZPO-BPLDGKMQSA-N 0 3 314.857 2.429 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)NCc1ccc(F)cc1F ZINC001374415894 1157847356 /nfs/dbraw/zinc/84/73/56/1157847356.db2.gz QSOBHQUEQFLWOC-XHDPSFHLSA-N 0 3 309.360 2.355 20 30 DEEDHN Cc1nocc1C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001393962045 1158100675 /nfs/dbraw/zinc/10/06/75/1158100675.db2.gz IOJFDDQXOHMUHV-VHSXEESVSA-N 0 3 318.402 2.213 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001394474216 1158565478 /nfs/dbraw/zinc/56/54/78/1158565478.db2.gz BRUXZGVATOQJAZ-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)[C@@H]3CC34CC4)CC2)ccc1F ZINC001375491850 1158764420 /nfs/dbraw/zinc/76/44/20/1158764420.db2.gz QSGLRMKMBRPTKB-AWEZNQCLSA-N 0 3 313.376 2.236 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001375774191 1158868084 /nfs/dbraw/zinc/86/80/84/1158868084.db2.gz VPRJXSKXWZXBJP-CQSZACIVSA-N 0 3 310.401 2.189 20 30 DEEDHN COCc1ccc(CN2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)cc1 ZINC001375821132 1158883002 /nfs/dbraw/zinc/88/30/02/1158883002.db2.gz OKLYZBGFPBPKLZ-KDOFPFPSSA-N 0 3 315.417 2.073 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001376473200 1159459116 /nfs/dbraw/zinc/45/91/16/1159459116.db2.gz JCLDJFIGCGZTNA-MCIONIFRSA-N 0 3 310.829 2.132 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c2ccccc2nn1C ZINC001377098292 1159898059 /nfs/dbraw/zinc/89/80/59/1159898059.db2.gz NCURCODZYGTPCT-GFCCVEGCSA-N 0 3 320.824 2.424 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001397560504 1160328848 /nfs/dbraw/zinc/32/88/48/1160328848.db2.gz CZNDKSKGCSARJW-FMKPAKJESA-N 0 3 314.433 2.349 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccn2)CC(C)(C)C1 ZINC001397804109 1160528616 /nfs/dbraw/zinc/52/86/16/1160528616.db2.gz FBULQUJRSMAQJE-CABCVRRESA-N 0 3 314.433 2.348 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1scnc1COC ZINC001399392954 1161376448 /nfs/dbraw/zinc/37/64/48/1161376448.db2.gz UMFZZLZWNDIHLC-JTQLQIEISA-N 0 3 317.842 2.140 20 30 DEEDHN COc1ccc(C#N)cc1CNCC1(NC(C)=O)CCCC1 ZINC001400907651 1161844211 /nfs/dbraw/zinc/84/42/11/1161844211.db2.gz RFQFXCWAWAOYCI-UHFFFAOYSA-N 0 3 301.390 2.105 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)CNCc1cc(O)ccc1Cl ZINC001401101591 1161873066 /nfs/dbraw/zinc/87/30/66/1161873066.db2.gz HYWMTRPWEDKGNY-WDEREUQCSA-N 0 3 309.797 2.047 20 30 DEEDHN C[C@H](CNCc1cc(O)ccc1Cl)CNC(=O)[C@H](C)C#N ZINC001401101577 1161873112 /nfs/dbraw/zinc/87/31/12/1161873112.db2.gz HYWMTRPWEDKGNY-GHMZBOCLSA-N 0 3 309.797 2.047 20 30 DEEDHN Cc1cncc(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)c1 ZINC001401109761 1161875093 /nfs/dbraw/zinc/87/50/93/1161875093.db2.gz OWIMNDHMOFAFSX-HNNXBMFYSA-N 0 3 322.412 2.417 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1ccc(F)cn1)C(C)C ZINC001401333076 1161934766 /nfs/dbraw/zinc/93/47/66/1161934766.db2.gz SJJGAKPLZNMKBL-AWEZNQCLSA-N 0 3 313.804 2.246 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(OC)o1)C(C)C ZINC001401346047 1161940806 /nfs/dbraw/zinc/94/08/06/1161940806.db2.gz SSVIBBXICVMWGD-NSHDSACASA-N 0 3 300.786 2.385 20 30 DEEDHN CO[C@H](C)CC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001401841598 1162150818 /nfs/dbraw/zinc/15/08/18/1162150818.db2.gz MWPKKSFVJBYLKR-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001401940073 1162190269 /nfs/dbraw/zinc/19/02/69/1162190269.db2.gz MOHNSORVOLATTC-NHYWBVRUSA-N 0 3 301.365 2.211 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@H](CCNC(=O)c2cnco2)C1 ZINC001404516404 1163692182 /nfs/dbraw/zinc/69/21/82/1163692182.db2.gz GOTWQGPXUWEGMU-AWEZNQCLSA-N 0 3 324.384 2.188 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)n1cccn1)C1CC1 ZINC001405467718 1164106542 /nfs/dbraw/zinc/10/65/42/1164106542.db2.gz ZKEIDRAFBLHHDE-SWLSCSKDSA-N 0 3 310.829 2.071 20 30 DEEDHN CC(C)OCCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001405793861 1164242754 /nfs/dbraw/zinc/24/27/54/1164242754.db2.gz GVEOOVYIMJSMOT-CYBMUJFWSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1ccns1)C1CCCCC1 ZINC001405942664 1164350369 /nfs/dbraw/zinc/35/03/69/1164350369.db2.gz HEXUGKSVKNDHRJ-IUODEOHRSA-N 0 3 320.462 2.457 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1CCCC1 ZINC001406319532 1164529297 /nfs/dbraw/zinc/52/92/97/1164529297.db2.gz NGBQXNUEPGXIRA-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406583973 1164693851 /nfs/dbraw/zinc/69/38/51/1164693851.db2.gz JKWBXBSHQBFTHK-UONOGXRCSA-N 0 3 319.474 2.494 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)C3CCC3)CC2)ccc1F ZINC001406900280 1164875234 /nfs/dbraw/zinc/87/52/34/1164875234.db2.gz BENQELFDNVJMDN-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN C[C@@H](CCNC(=O)c1nccs1)NCc1ccccc1C#N ZINC001408232777 1165541815 /nfs/dbraw/zinc/54/18/15/1165541815.db2.gz SSZKMLMTYDWSJM-LBPRGKRZSA-N 0 3 314.414 2.313 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc(COC)s1 ZINC001408242738 1165545308 /nfs/dbraw/zinc/54/53/08/1165545308.db2.gz IHXYEZVIXDGKAS-JTQLQIEISA-N 0 3 317.842 2.140 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001417992842 1167349319 /nfs/dbraw/zinc/34/93/19/1167349319.db2.gz WLEPHNNTIJVKQI-GDBMZVCRSA-N 0 3 321.371 2.430 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001418215533 1167496390 /nfs/dbraw/zinc/49/63/90/1167496390.db2.gz AMBKHHJKNWHGAX-GFCCVEGCSA-N 0 3 316.430 2.175 20 30 DEEDHN CCCC(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001418653045 1167865750 /nfs/dbraw/zinc/86/57/50/1167865750.db2.gz FUYXBGOPCXOXIH-CTYIDZIISA-N 0 3 303.381 2.482 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001419190667 1168303306 /nfs/dbraw/zinc/30/33/06/1168303306.db2.gz ZRCMHBKSRVALLL-QWHCGFSZSA-N 0 3 321.446 2.173 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001419190669 1168303496 /nfs/dbraw/zinc/30/34/96/1168303496.db2.gz ZRCMHBKSRVALLL-STQMWFEESA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCn2cc(C)cn2)CCCC1 ZINC001419322574 1168399530 /nfs/dbraw/zinc/39/95/30/1168399530.db2.gz RXUYHHZFWPEPMA-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CC(OCC)C1)C1CC1 ZINC001419343526 1168414017 /nfs/dbraw/zinc/41/40/17/1168414017.db2.gz HDIPIRALHHAZDG-LDZOIKDWSA-N 0 3 314.857 2.429 20 30 DEEDHN CC[C@H](F)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001419692396 1168805356 /nfs/dbraw/zinc/80/53/56/1168805356.db2.gz BUSDXFMJYVPOIX-FZMZJTMJSA-N 0 3 309.360 2.382 20 30 DEEDHN C[C@H](CNC(=O)CC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC001419713700 1168815489 /nfs/dbraw/zinc/81/54/89/1168815489.db2.gz ROUUDCKEYSRQCX-SECBINFHSA-N 0 3 317.286 2.244 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CCn1cccc1 ZINC001420641902 1169848060 /nfs/dbraw/zinc/84/80/60/1169848060.db2.gz RVHLXWQAJLGFLH-MRXNPFEDSA-N 0 3 324.428 2.387 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCc1cnccn1)C1CC1 ZINC001421580645 1171856901 /nfs/dbraw/zinc/85/69/01/1171856901.db2.gz ZTZLWDFEGNJMII-INIZCTEOSA-N 0 3 322.840 2.036 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001421836007 1172031936 /nfs/dbraw/zinc/03/19/36/1172031936.db2.gz BFMIQBRMZHZUPA-ZDUSSCGKSA-N 0 3 316.380 2.137 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCC2(C)C)CCOCC1 ZINC001422009744 1172228292 /nfs/dbraw/zinc/22/82/92/1172228292.db2.gz DZCQXGPVRGTCTA-CYBMUJFWSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001422149862 1172347692 /nfs/dbraw/zinc/34/76/92/1172347692.db2.gz BHDGTFWKBLICOI-MLGOLLRUSA-N 0 3 303.381 2.363 20 30 DEEDHN O=C1C=COC2(CCN(C[C@H]3CCC[C@@]4(CCOC4)O3)CC2)C1 ZINC001422331758 1172497751 /nfs/dbraw/zinc/49/77/51/1172497751.db2.gz PAUPDUHRHGPUET-AEFFLSMTSA-N 0 3 321.417 2.052 20 30 DEEDHN C[C@H](CNC(=O)C[C@H]1CCCO1)N(C)Cc1cccc(C#N)c1 ZINC001422473109 1172621375 /nfs/dbraw/zinc/62/13/75/1172621375.db2.gz GTJUGYUFTWXGGX-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC001422906811 1172914763 /nfs/dbraw/zinc/91/47/63/1172914763.db2.gz JYWYLBIESFWYDY-BPLDGKMQSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001422910581 1172919071 /nfs/dbraw/zinc/91/90/71/1172919071.db2.gz ZWLNILQJJPDGGX-NGFQHRJXSA-N 0 3 314.857 2.429 20 30 DEEDHN CS[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001423035109 1173031804 /nfs/dbraw/zinc/03/18/04/1173031804.db2.gz STEBUXCENQFZCZ-VXGBXAGGSA-N 0 3 323.437 2.385 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cc[nH]c1)NCc1ccc(C#N)s1 ZINC001423051257 1173045103 /nfs/dbraw/zinc/04/51/03/1173045103.db2.gz SEHJTKPQIJBREU-NSHDSACASA-N 0 3 302.403 2.198 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)C3CC4(CC4)C3)CC2)c1 ZINC001423270188 1173195849 /nfs/dbraw/zinc/19/58/49/1173195849.db2.gz OSFISOWHQVSKSI-UHFFFAOYSA-N 0 3 309.413 2.487 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C(C)C)CCOCC1 ZINC001424434284 1173785762 /nfs/dbraw/zinc/78/57/62/1173785762.db2.gz SPYDQMZIIVFRLJ-CYBMUJFWSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C(C)(C)F ZINC001424743263 1173894689 /nfs/dbraw/zinc/89/46/89/1173894689.db2.gz ABACSTQMLKWLJP-MNOVXSKESA-N 0 3 309.360 2.428 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)CC2CC2)C2CC2)c(F)c1 ZINC001436778471 1179237683 /nfs/dbraw/zinc/23/76/83/1179237683.db2.gz XDESABOZEBMEQN-KRWDZBQOSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1ccc(CN(C)CCNC(=O)c2cc(C#N)c[nH]2)c(C)c1 ZINC001437443832 1179806583 /nfs/dbraw/zinc/80/65/83/1179806583.db2.gz BGRZNLZWFGEGKR-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN CN(C/C=C/Cl)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001437971120 1180115529 /nfs/dbraw/zinc/11/55/29/1180115529.db2.gz BAFNXGZQYKOQLB-QSLRECBCSA-N 0 3 306.797 2.033 20 30 DEEDHN CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)NCC=C(Cl)Cl ZINC001438299688 1180331590 /nfs/dbraw/zinc/33/15/90/1180331590.db2.gz LIMCLLBDQHIZHW-SECBINFHSA-N 0 3 315.204 2.303 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)s1 ZINC001438341275 1180356364 /nfs/dbraw/zinc/35/63/64/1180356364.db2.gz HDSDZYDYFIOYTQ-FZMZJTMJSA-N 0 3 303.431 2.404 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1CC12CC2)NCc1ccc(C#N)s1 ZINC001438341285 1180356491 /nfs/dbraw/zinc/35/64/91/1180356491.db2.gz HDSDZYDYFIOYTQ-SMDDNHRTSA-N 0 3 303.431 2.404 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001438344984 1180359916 /nfs/dbraw/zinc/35/99/16/1180359916.db2.gz NDZZBCVUXCDATP-CABCVRRESA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@H]1C[C@@H]1C)C(C)C ZINC001438822659 1180821812 /nfs/dbraw/zinc/82/18/12/1180821812.db2.gz RYDWSWUYUNXGSA-ZMLRMANQSA-N 0 3 303.244 2.281 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccncc2-c2ccccc2)CC1 ZINC001438852353 1180832089 /nfs/dbraw/zinc/83/20/89/1180832089.db2.gz FKWOQNFAPCADTL-UHFFFAOYSA-N 0 3 319.408 2.454 20 30 DEEDHN CO[C@H](C)C(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001439798475 1181239884 /nfs/dbraw/zinc/23/98/84/1181239884.db2.gz SJQSGPPWSJTPBV-CQSZACIVSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCCc2ccsc2)[C@@H]1C ZINC001440491719 1181556880 /nfs/dbraw/zinc/55/68/80/1181556880.db2.gz JBTCENHUMAMQKK-GUTXKFCHSA-N 0 3 305.447 2.419 20 30 DEEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@@H](C)NC(=O)C(C)(F)F ZINC001440775680 1181684783 /nfs/dbraw/zinc/68/47/83/1181684783.db2.gz SIKYKMDGYHTPND-NXEZZACHSA-N 0 3 313.323 2.335 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001441034023 1181831777 /nfs/dbraw/zinc/83/17/77/1181831777.db2.gz KBCUHHBLNZLRJY-KGLIPLIRSA-N 0 3 301.862 2.050 20 30 DEEDHN CC[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001441464823 1182007425 /nfs/dbraw/zinc/00/74/25/1182007425.db2.gz HJKAZXARDKQCBF-DFBGVHRSSA-N 0 3 303.381 2.480 20 30 DEEDHN CCC[C@H](OC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001441595689 1182081539 /nfs/dbraw/zinc/08/15/39/1182081539.db2.gz SFDWMTITQJAQKE-DOMZBBRYSA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001442251376 1182390589 /nfs/dbraw/zinc/39/05/89/1182390589.db2.gz DRIZXSIIUFMGOG-NEPJUHHUSA-N 0 3 310.829 2.067 20 30 DEEDHN CC(F)(F)C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001442840245 1182738942 /nfs/dbraw/zinc/73/89/42/1182738942.db2.gz MMQAOGHEQNZCDC-AWEZNQCLSA-N 0 3 307.344 2.152 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(CCCc2ccsc2)C1 ZINC001443800250 1183133622 /nfs/dbraw/zinc/13/36/22/1183133622.db2.gz UHLQCOIHMSUAKU-ZFWWWQNUSA-N 0 3 305.447 2.373 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1cncs1)C1CC1 ZINC001444127036 1183293313 /nfs/dbraw/zinc/29/33/13/1183293313.db2.gz JEHCSBDOVLLDDK-CQSZACIVSA-N 0 3 313.854 2.313 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccncn2)CCCC[C@H]1C ZINC001444150350 1183301029 /nfs/dbraw/zinc/30/10/29/1183301029.db2.gz BNZDARGVHKFMNE-WBMJQRKESA-N 0 3 322.840 2.497 20 30 DEEDHN CC[C@H](F)CN1CCC(CCNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001444210619 1183317005 /nfs/dbraw/zinc/31/70/05/1183317005.db2.gz RTPWBXTZANVDFS-HNNXBMFYSA-N 0 3 320.412 2.466 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H]2CCOC2)CCCC1 ZINC001444501003 1183418092 /nfs/dbraw/zinc/41/80/92/1183418092.db2.gz MRUABFVRZXWBOH-ZDUSSCGKSA-N 0 3 300.830 2.184 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@@](C)(O)C2CC2)CCCC1 ZINC001444506531 1183420618 /nfs/dbraw/zinc/42/06/18/1183420618.db2.gz YMBLIXPIVBIMNE-OAHLLOKOSA-N 0 3 314.857 2.309 20 30 DEEDHN CO[C@H](C)CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001446150231 1184250473 /nfs/dbraw/zinc/25/04/73/1184250473.db2.gz BZTLLXGFMMOPFY-CQSZACIVSA-N 0 3 315.417 2.112 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCCN2C(=O)CCCF)s1 ZINC001446443026 1184351396 /nfs/dbraw/zinc/35/13/96/1184351396.db2.gz YKPNGDXGXRUWDC-LBPRGKRZSA-N 0 3 309.410 2.450 20 30 DEEDHN C=C(Br)CNC[C@H](C1CC1)N(C)C(=O)[C@H](F)CC ZINC001448598150 1185314835 /nfs/dbraw/zinc/31/48/35/1185314835.db2.gz XQBHQWVZFYNCOZ-VXGBXAGGSA-N 0 3 321.234 2.470 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncccc1OC(C)C ZINC001448882565 1185446420 /nfs/dbraw/zinc/44/64/20/1185446420.db2.gz KKDIFSACOCEFHC-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN Cc1cccnc1CNC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001449303585 1185640753 /nfs/dbraw/zinc/64/07/53/1185640753.db2.gz SFQKCRIJFREIQP-ZFWWWQNUSA-N 0 3 302.422 2.170 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NCc2ccnn2C)C[C@@H]1C ZINC001331991709 1149804481 /nfs/dbraw/zinc/80/44/81/1149804481.db2.gz OJVZXXGVZZSRKF-HOCLYGCPSA-N 0 3 316.449 2.268 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)ccc2C)C1 ZINC001332048913 1149813306 /nfs/dbraw/zinc/81/33/06/1149813306.db2.gz NVNYLEGUUMMEIN-IRXDYDNUSA-N 0 3 314.429 2.146 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCOCC(F)(F)F)[C@H]1C ZINC001332183100 1149831245 /nfs/dbraw/zinc/83/12/45/1149831245.db2.gz ALGBICJGVYMUBB-VXGBXAGGSA-N 0 3 308.344 2.111 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)COCC(F)F ZINC001099153528 782332131 /nfs/dbraw/zinc/33/21/31/782332131.db2.gz MLKCIZBKBUXQOK-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001332263930 1149841761 /nfs/dbraw/zinc/84/17/61/1149841761.db2.gz VSOSAYBPHPIADF-HUUCEWRRSA-N 0 3 318.465 2.397 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)CC2CCCCC2)CC1(C)C ZINC001332346073 1149852423 /nfs/dbraw/zinc/85/24/23/1149852423.db2.gz VOWBURLFOSHSFQ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](N[C@H](CCCC)C(N)=O)C(C)(C)C1 ZINC001332405859 1149857363 /nfs/dbraw/zinc/85/73/63/1149857363.db2.gz ZHQPWZGUZHEDDA-KGLIPLIRSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn(-c4ccccc4)c3)C2)C1 ZINC001072903216 790295987 /nfs/dbraw/zinc/29/59/87/790295987.db2.gz UUXISCZWZPXYKW-UHFFFAOYSA-N 0 3 322.412 2.206 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C)CC(C)(C)C1 ZINC001089329808 782704984 /nfs/dbraw/zinc/70/49/84/782704984.db2.gz DCFZLKVUBFLCIL-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ncoc2CC)C[C@H]1C(F)(F)F ZINC001099227035 782719646 /nfs/dbraw/zinc/71/96/46/782719646.db2.gz RBMBSSCDBGXXQH-NXEZZACHSA-N 0 3 317.311 2.016 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc(Cl)c[nH]2)c1 ZINC001123466518 783012507 /nfs/dbraw/zinc/01/25/07/783012507.db2.gz FWLQCOQRUQENSO-UHFFFAOYSA-N 0 3 302.765 2.059 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)sn2)CC(C)(C)C1 ZINC001089371269 783054782 /nfs/dbraw/zinc/05/47/82/783054782.db2.gz YOTZQWYZXJTGSM-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)CC(C)(C)C1 ZINC001089388809 783063807 /nfs/dbraw/zinc/06/38/07/783063807.db2.gz HKGDQSMXWLYPNO-ULQDDVLXSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]nc2CCC)CC(C)(C)C1 ZINC001089426179 783093587 /nfs/dbraw/zinc/09/35/87/783093587.db2.gz HTBNEMGHHZOOOW-CQSZACIVSA-N 0 3 316.449 2.216 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C2 ZINC001095790830 783100836 /nfs/dbraw/zinc/10/08/36/783100836.db2.gz 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/nfs/dbraw/zinc/16/43/77/783164377.db2.gz DIBZOBKJOYGEHV-IAGOWNOFSA-N 0 3 306.450 2.208 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)nn2C)C[C@H]1C ZINC000947540741 783166089 /nfs/dbraw/zinc/16/60/89/783166089.db2.gz XXUHIKHLUYTYRS-MNOVXSKESA-N 0 3 312.364 2.126 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCOCC2)CC(C)(C)C1 ZINC001089519998 783180078 /nfs/dbraw/zinc/18/00/78/783180078.db2.gz QGYJLVSQLWLWRV-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC[C@H](C(=O)NCC[C@@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001099350000 783180451 /nfs/dbraw/zinc/18/04/51/783180451.db2.gz QEYPSKIAJFIQLB-MLGOLLRUSA-N 0 3 320.412 2.344 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(COC)c2)C[C@H]1C ZINC000947710718 783209475 /nfs/dbraw/zinc/20/94/75/783209475.db2.gz OXUAEFRCUIDUHE-CJNGLKHVSA-N 0 3 318.392 2.188 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C[C@H]1C ZINC000947735615 783217750 /nfs/dbraw/zinc/21/77/50/783217750.db2.gz NHYDQLSQITUQPI-KGLIPLIRSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000947751528 783222406 /nfs/dbraw/zinc/22/24/06/783222406.db2.gz YVLNSNLXVBVEOI-WCQYABFASA-N 0 3 324.346 2.249 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](CC)CCCC ZINC001123962078 783226167 /nfs/dbraw/zinc/22/61/67/783226167.db2.gz BVKUCHOPDUDQSL-INIZCTEOSA-N 0 3 323.481 2.109 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4cccnc4c3)C2)C1 ZINC001073066175 790428175 /nfs/dbraw/zinc/42/81/75/790428175.db2.gz PXZCLVCRZVEGHY-UHFFFAOYSA-N 0 3 319.408 2.406 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1C)c1ccccc1 ZINC001211495649 776580477 /nfs/dbraw/zinc/58/04/77/776580477.db2.gz RNUISWJYRVJTKU-KBAYOESNSA-N 0 3 316.445 2.165 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccco3)[C@H]2C1 ZINC001083191235 776622274 /nfs/dbraw/zinc/62/22/74/776622274.db2.gz QEVPZZCSAQNYTO-YQQAZPJKSA-N 0 3 318.417 2.261 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](O)C1 ZINC001090747855 790481750 /nfs/dbraw/zinc/48/17/50/790481750.db2.gz 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/nfs/dbraw/zinc/30/82/84/777308284.db2.gz BCSGVNNPRWYQNW-OAHLLOKOSA-N 0 3 314.857 2.432 20 30 DEEDHN C=CCCCC(=O)N1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001073225580 790530072 /nfs/dbraw/zinc/53/00/72/790530072.db2.gz PLMYEZVJTAXALF-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CCOCC1 ZINC001087268509 777669085 /nfs/dbraw/zinc/66/90/85/777669085.db2.gz RWTXLIIYFVLKDP-IXDOHACOSA-N 0 3 318.461 2.042 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(C)no3)C(C)(C)[C@H]21 ZINC001087270913 777677190 /nfs/dbraw/zinc/67/71/90/777677190.db2.gz INPKUMWZHOBTGF-KBMXLJTQSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3scnc3C)C(C)(C)[C@@H]21 ZINC001087275132 777689596 /nfs/dbraw/zinc/68/95/96/777689596.db2.gz BGUJJXJCBOJILP-BPLDGKMQSA-N 0 3 317.458 2.304 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cncs3)C(C)(C)[C@H]21 ZINC001087277291 777697949 /nfs/dbraw/zinc/69/79/49/777697949.db2.gz MKYFDLMNGZCXFU-YUELXQCFSA-N 0 3 317.458 2.385 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)Cc3ccccc3C)[C@H]2C1 ZINC001083271212 777763856 /nfs/dbraw/zinc/76/38/56/777763856.db2.gz WVAZLNADWMRYSK-ZWKOTPCHSA-N 0 3 314.429 2.025 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(OC)o3)C(C)(C)[C@H]21 ZINC001087309974 777771038 /nfs/dbraw/zinc/77/10/38/777771038.db2.gz OVKKCUBTPFJTIH-KCXAZCMYSA-N 0 3 316.401 2.140 20 30 DEEDHN CC[C@H](C(=O)N(C)[C@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001104626436 777976392 /nfs/dbraw/zinc/97/63/92/777976392.db2.gz DYFHNASSSFMXFC-MLGOLLRUSA-N 0 3 320.412 2.296 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)[C@H](O)C1 ZINC001090856082 790605275 /nfs/dbraw/zinc/60/52/75/790605275.db2.gz WEJGMEOIRUKJHE-DLBZAZTESA-N 0 3 320.477 2.168 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)c2conc2C)C[C@H]1c1ccccc1 ZINC001211663838 778490608 /nfs/dbraw/zinc/49/06/08/778490608.db2.gz GAJAWYHTYWPPOR-FUHWJXTLSA-N 0 3 323.396 2.204 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC001211680131 778561431 /nfs/dbraw/zinc/56/14/31/778561431.db2.gz 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/nfs/dbraw/zinc/66/06/87/790660687.db2.gz DVEPPDMRROYWBJ-UHFFFAOYSA-N 0 3 312.373 2.004 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(C)nn(CC)c3Cl)C2)C1 ZINC001073445688 790661163 /nfs/dbraw/zinc/66/11/63/790661163.db2.gz XJDVQXUWKUZPME-UHFFFAOYSA-N 0 3 322.840 2.199 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](n2cc(CNCC(C)C)nn2)C1 ZINC001098680397 778903238 /nfs/dbraw/zinc/90/32/38/778903238.db2.gz GFPWWVJMJIGSDK-MRXNPFEDSA-N 0 3 319.453 2.153 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)CC1 ZINC000983411898 779079151 /nfs/dbraw/zinc/07/91/51/779079151.db2.gz NXZSBAPNXLDNJV-CTNGQTDRSA-N 0 3 322.452 2.448 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C2(C3CC3)CCOCC2)[C@H]1CC ZINC001087672944 779403704 /nfs/dbraw/zinc/40/37/04/779403704.db2.gz OXUCKBVGPNXVIO-JKSUJKDBSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1CC ZINC001087704938 779415553 /nfs/dbraw/zinc/41/55/53/779415553.db2.gz NXMCKFMFVXSQDG-LSDHHAIUSA-N 0 3 305.422 2.110 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)[C@H]1CC ZINC001087750959 779436591 /nfs/dbraw/zinc/43/65/91/779436591.db2.gz OJNAJOJODIYRQY-LSDHHAIUSA-N 0 3 300.406 2.123 20 30 DEEDHN C=CCn1cc(C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2CC)nn1 ZINC001087754318 779438136 /nfs/dbraw/zinc/43/81/36/779438136.db2.gz ZUGBCWKWHHMMOA-GOEBONIOSA-N 0 3 317.437 2.013 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(OC)c2)[C@H]1CC ZINC001087817799 779465784 /nfs/dbraw/zinc/46/57/84/779465784.db2.gz JLFRSXYXQYLPLL-DLBZAZTESA-N 0 3 302.418 2.393 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001087982316 779587669 /nfs/dbraw/zinc/58/76/69/779587669.db2.gz ZKHQCJSYXHBSME-MSOLQXFVSA-N 0 3 310.441 2.259 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001087988166 779616524 /nfs/dbraw/zinc/61/65/24/779616524.db2.gz UCPHLLIMOFWWQE-KFWWJZLASA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)n(CC)c3C)C[C@@H]2C1 ZINC001088031258 779646753 /nfs/dbraw/zinc/64/67/53/779646753.db2.gz 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ZINC001073605357 790735281 /nfs/dbraw/zinc/73/52/81/790735281.db2.gz IVUNSKXMXSZGFI-VSZNYVQBSA-N 0 3 318.461 2.372 20 30 DEEDHN CCc1nocc1CN[C@@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088281363 779903670 /nfs/dbraw/zinc/90/36/70/779903670.db2.gz LUUGEQJLIRGHCS-UKRRQHHQSA-N 0 3 318.421 2.257 20 30 DEEDHN O=C(C#CC1CC1)N1CCCCC[C@H](NCc2ccccn2)C1 ZINC001088311926 779936105 /nfs/dbraw/zinc/93/61/05/779936105.db2.gz KNJFTLFFTAGTFI-SFHVURJKSA-N 0 3 311.429 2.356 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001088396964 780070114 /nfs/dbraw/zinc/07/01/14/780070114.db2.gz WHDUSINWBSGQFV-ZDUSSCGKSA-N 0 3 310.829 2.445 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2-c2ccco2)[C@H]1C ZINC001088560293 780464959 /nfs/dbraw/zinc/46/49/59/780464959.db2.gz JDTKFFMNKHIAOX-OCCSQVGLSA-N 0 3 314.389 2.059 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001073707806 790804093 /nfs/dbraw/zinc/80/40/93/790804093.db2.gz BCWRKJPICCIAPB-FJIDUMEYSA-N 0 3 318.461 2.043 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)COC)[C@H](OC)C1 ZINC001212030167 780594177 /nfs/dbraw/zinc/59/41/77/780594177.db2.gz VREAWTNDPWSYJK-BZUAXINKSA-N 0 3 314.470 2.055 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001073745600 790838353 /nfs/dbraw/zinc/83/83/53/790838353.db2.gz CNCDYYDKTATGQE-CYBMUJFWSA-N 0 3 324.371 2.362 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)n3)[C@@H]2C1 ZINC001075995817 780985545 /nfs/dbraw/zinc/98/55/45/780985545.db2.gz FVMQZJONEBXHQY-MAUKXSAKSA-N 0 3 311.429 2.375 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nc(C)n4ccccc34)[C@@H]2C1 ZINC001076037798 781087898 /nfs/dbraw/zinc/08/78/98/781087898.db2.gz QMVCBPJPRBVBPA-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(CC)nnc3C)[C@@H]2C1 ZINC001076086061 781110369 /nfs/dbraw/zinc/11/03/69/781110369.db2.gz NCHZDFIQBJJMAR-WMLDXEAASA-N 0 3 314.433 2.070 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3nc(C4CC4)oc3C)[C@@H]2C1 ZINC001076414172 781254410 /nfs/dbraw/zinc/25/44/10/781254410.db2.gz FTZGNLZRENGWJG-LSDHHAIUSA-N 0 3 313.401 2.030 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C4CC4)cn3)[C@@H]2C1 ZINC001076515693 781289855 /nfs/dbraw/zinc/28/98/55/781289855.db2.gz LEIGMCCDPHTKFK-FUHWJXTLSA-N 0 3 309.413 2.129 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cscc2Cl)[C@@H](O)C1 ZINC001083549191 781292864 /nfs/dbraw/zinc/29/28/64/781292864.db2.gz VSRXJLKXVQWTOA-OLZOCXBDSA-N 0 3 314.838 2.143 20 30 DEEDHN C=C[C@@H](C(=O)N1CC[C@H]2CN(CCOC)C[C@H]21)c1ccccc1 ZINC001076598206 781321777 /nfs/dbraw/zinc/32/17/77/781321777.db2.gz RKXUCKBPODGLQG-RCCFBDPRSA-N 0 3 314.429 2.135 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(F)cn2)[C@H](OC)C1 ZINC001212146814 781744738 /nfs/dbraw/zinc/74/47/38/781744738.db2.gz ZGZMPJSOQMIOFT-APHBMKBZSA-N 0 3 321.396 2.004 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ncccc2Cl)C1 ZINC001073863187 790922442 /nfs/dbraw/zinc/92/24/42/790922442.db2.gz ISESMYPAZNLWIS-ZDUSSCGKSA-N 0 3 323.824 2.132 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C[C@@H]1C ZINC000947800776 783233697 /nfs/dbraw/zinc/23/36/97/783233697.db2.gz JRCMFPWCHAXJIY-HOCLYGCPSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C[C@H]1C ZINC000947825834 783240669 /nfs/dbraw/zinc/24/06/69/783240669.db2.gz YKAWENORCLIXMM-RHSMWYFYSA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(CCC)c2C)C[C@H]1C ZINC000947853701 783247653 /nfs/dbraw/zinc/24/76/53/783247653.db2.gz UZIHIMLPCORJDI-ZBFHGGJFSA-N 0 3 316.449 2.208 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1=COCCO1 ZINC001089604577 783265782 /nfs/dbraw/zinc/26/57/82/783265782.db2.gz FILKVKWRUJFDDT-AWEZNQCLSA-N 0 3 308.422 2.058 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C)c2C(F)F)C[C@H]1C ZINC000947917372 783268109 /nfs/dbraw/zinc/26/81/09/783268109.db2.gz WNHYFVCYUCOYJT-MNOVXSKESA-N 0 3 312.364 2.126 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C[C@@H]1C ZINC000948045263 783301506 /nfs/dbraw/zinc/30/15/06/783301506.db2.gz YAEWURPNRIZIEZ-KBPBESRZSA-N 0 3 316.449 2.447 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001089652964 783323461 /nfs/dbraw/zinc/32/34/61/783323461.db2.gz MLCWLCISAPSVTR-RBSFLKMASA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001089652698 783324062 /nfs/dbraw/zinc/32/40/62/783324062.db2.gz KEUQUJOUYKMWDV-ZACQAIPSSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cocn1 ZINC001089776522 783422545 /nfs/dbraw/zinc/42/25/45/783422545.db2.gz FSFXFHMSTHZWHB-XPCVCDNBSA-N 0 3 321.808 2.210 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccnn2[C@H](C)CC)CC1 ZINC000948416634 783458864 /nfs/dbraw/zinc/45/88/64/783458864.db2.gz LGEAEHFJLHHIPT-HZPDHXFCSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2scnc2CC)CC1 ZINC000948427222 783462534 /nfs/dbraw/zinc/46/25/34/783462534.db2.gz AQLLXCLTEYZKNF-ZDUSSCGKSA-N 0 3 305.447 2.265 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn3c2CCCC3)CC1 ZINC000948444796 783467273 /nfs/dbraw/zinc/46/72/73/783467273.db2.gz OHDQOXPMIDXVBO-MRXNPFEDSA-N 0 3 313.445 2.384 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(Cl)n(C)n2)CC1 ZINC000948604651 783522855 /nfs/dbraw/zinc/52/28/55/783522855.db2.gz GHXMLMDVZZWFLM-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1ccnn1C ZINC001085202349 783578653 /nfs/dbraw/zinc/57/86/53/783578653.db2.gz YPFRCAPNIMNTAT-MGPQQGTHSA-N 0 3 324.856 2.293 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC000966200454 783598851 /nfs/dbraw/zinc/59/88/51/783598851.db2.gz UBGORRAKNXXNMC-KGLIPLIRSA-N 0 3 316.449 2.171 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(C)cc1C ZINC001085265430 783611858 /nfs/dbraw/zinc/61/18/58/783611858.db2.gz AFMXNOHKGYKHCH-HUUCEWRRSA-N 0 3 324.856 2.269 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966878194 783791077 /nfs/dbraw/zinc/79/10/77/783791077.db2.gz BBKRDTFUXYRANO-XJKSGUPXSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001066281159 783860179 /nfs/dbraw/zinc/86/01/79/783860179.db2.gz UCTQKNODPNTGPY-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC000967092178 783880458 /nfs/dbraw/zinc/88/04/58/783880458.db2.gz WMENSYSLDFZOSA-GUYCJALGSA-N 0 3 312.417 2.269 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967121525 783889418 /nfs/dbraw/zinc/88/94/18/783889418.db2.gz NNSBOFPWYWTPLA-HOCLYGCPSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCOC2 ZINC001085636370 783912672 /nfs/dbraw/zinc/91/26/72/783912672.db2.gz PHTKTNLZDFDWHA-OAHLLOKOSA-N 0 3 317.433 2.200 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2cncn2c1C ZINC001085686659 783965431 /nfs/dbraw/zinc/96/54/31/783965431.db2.gz YZFRBPQZJOELQJ-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC000967398638 783980981 /nfs/dbraw/zinc/98/09/81/783980981.db2.gz ZHCKLNAETZKUBA-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC000967410165 783988102 /nfs/dbraw/zinc/98/81/02/783988102.db2.gz ZIDVTDKIGLVTCZ-WBVHZDCISA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC000967410164 783988154 /nfs/dbraw/zinc/98/81/54/783988154.db2.gz ZIDVTDKIGLVTCZ-RDJZCZTQSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2ccncc2n1 ZINC001085726561 784011207 /nfs/dbraw/zinc/01/12/07/784011207.db2.gz BAFYHXGWAGFPQI-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001085751377 784042886 /nfs/dbraw/zinc/04/28/86/784042886.db2.gz FAHRXBWLCXZKOD-OAHLLOKOSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC001085756989 784048646 /nfs/dbraw/zinc/04/86/46/784048646.db2.gz WHZQQZJXRJATMX-WMZOPIPTSA-N 0 3 314.429 2.409 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)COC2 ZINC001085870809 784161174 /nfs/dbraw/zinc/16/11/74/784161174.db2.gz DUEBKWSNBYTKBN-QGZVFWFLSA-N 0 3 300.402 2.439 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000968110391 784229121 /nfs/dbraw/zinc/22/91/21/784229121.db2.gz XBQFLQNNYXQAFC-DYVFJYSZSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001074017752 791013368 /nfs/dbraw/zinc/01/33/68/791013368.db2.gz XHIQVKPSSQWQSU-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC000968357634 784318630 /nfs/dbraw/zinc/31/86/30/784318630.db2.gz QHFGPRVSUKZTLR-KBXCAEBGSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458873 784397137 /nfs/dbraw/zinc/39/71/37/784397137.db2.gz FWJDHVGSGKQJOA-BBRMVZONSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000968474956 784407184 /nfs/dbraw/zinc/40/71/84/784407184.db2.gz DIYQIJKUFXWRJF-SCLBCKFNSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC000968483201 784413100 /nfs/dbraw/zinc/41/31/00/784413100.db2.gz DGPLRKXWGRNBQI-HOCLYGCPSA-N 0 3 318.465 2.100 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001086117964 784418119 /nfs/dbraw/zinc/41/81/19/784418119.db2.gz JGFUYUYJQOSPCZ-BJHJDKERSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nccn3c2)C1 ZINC000968529386 784448208 /nfs/dbraw/zinc/44/82/08/784448208.db2.gz PVSULVUDHYAMHT-ZBFHGGJFSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001086182628 784469916 /nfs/dbraw/zinc/46/99/16/784469916.db2.gz FNKWFUHHHHZMGG-KBXIAJHMSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001086194830 784480428 /nfs/dbraw/zinc/48/04/28/784480428.db2.gz RWWMYPJUUQJFQQ-XQQFMLRXSA-N 0 3 322.840 2.067 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC000968588032 784482040 /nfs/dbraw/zinc/48/20/40/784482040.db2.gz JQRZPRVGFFFWLS-QAPCUYQASA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000968624421 784509391 /nfs/dbraw/zinc/50/93/91/784509391.db2.gz SSDKKXKDEPHQIH-BLLLJJGKSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC000968641077 784517630 /nfs/dbraw/zinc/51/76/30/784517630.db2.gz XHMQRNCSGGPKGI-BLLLJJGKSA-N 0 3 305.422 2.237 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ncoc2C2CC2)C1 ZINC001086245420 784517950 /nfs/dbraw/zinc/51/79/50/784517950.db2.gz HOPKJNIBCUUPNZ-KLPPZKSPSA-N 0 3 309.797 2.403 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968668559 784531532 /nfs/dbraw/zinc/53/15/32/784531532.db2.gz CPQWEZUIZCXVPT-CZUORRHYSA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](CNC(=O)C3CC3)C2)c(F)c1 ZINC001086288771 784545389 /nfs/dbraw/zinc/54/53/89/784545389.db2.gz KEDPVGIKROERCU-NNUKFRKNSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC000968819272 784605660 /nfs/dbraw/zinc/60/56/60/784605660.db2.gz IZTSXLHYJIZZMG-HNNXBMFYSA-N 0 3 302.422 2.336 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C3CC3)cnn2C)C1 ZINC001086385832 784637272 /nfs/dbraw/zinc/63/72/72/784637272.db2.gz OWAUAZUKGFPXMP-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001086389026 784644146 /nfs/dbraw/zinc/64/41/46/784644146.db2.gz KNWGQLMGFXSHFZ-MQMHXKEQSA-N 0 3 307.825 2.495 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC000968914218 784646936 /nfs/dbraw/zinc/64/69/36/784646936.db2.gz PLNMEPDYAUXCOT-OAHLLOKOSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC000968951890 784667324 /nfs/dbraw/zinc/66/73/24/784667324.db2.gz IHWJUZRZGQYUDB-GFCCVEGCSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001086409617 784688740 /nfs/dbraw/zinc/68/87/40/784688740.db2.gz KKWUXZSYHDSRRV-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ocnc1CC ZINC000969023092 784693948 /nfs/dbraw/zinc/69/39/48/784693948.db2.gz MOHFJJVFCVBWEF-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC000969025730 784695689 /nfs/dbraw/zinc/69/56/89/784695689.db2.gz SXBGUALHTZETGB-SJLPKXTDSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001086421538 784707702 /nfs/dbraw/zinc/70/77/02/784707702.db2.gz SHDUKNYTPKHGRI-NOLJZWGESA-N 0 3 320.820 2.227 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001091241031 791049621 /nfs/dbraw/zinc/04/96/21/791049621.db2.gz CFRFFQNMPYOPQP-POOIEITISA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001086460048 784751492 /nfs/dbraw/zinc/75/14/92/784751492.db2.gz GCXWFJDJXDNTFI-QEJZJMRPSA-N 0 3 319.836 2.348 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001086492016 784784831 /nfs/dbraw/zinc/78/48/31/784784831.db2.gz IJNRNLBESXFFMP-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001086521798 784840188 /nfs/dbraw/zinc/84/01/88/784840188.db2.gz BLVVJZXTRXCTTQ-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3c(c2)CCO3)C1 ZINC001091249818 791060109 /nfs/dbraw/zinc/06/01/09/791060109.db2.gz JCSKPPBQDRKMJE-UHFFFAOYSA-N 0 3 320.820 2.472 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccnn2CC2CCC2)C1 ZINC001007346137 784895368 /nfs/dbraw/zinc/89/53/68/784895368.db2.gz UILPAIVVZIAPNC-MRXNPFEDSA-N 0 3 316.449 2.454 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=N)c2ccc(F)cn2)CN1C(=O)OC(C)(C)C ZINC001168810468 784925321 /nfs/dbraw/zinc/92/53/21/784925321.db2.gz GTMPBHGNGZDMPC-ZYHUDNBSSA-N 0 3 322.384 2.324 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001007472914 784928761 /nfs/dbraw/zinc/92/87/61/784928761.db2.gz NWBRGOLZWLKCPF-QGZVFWFLSA-N 0 3 309.413 2.465 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CCCN(C[C@H](CC)OC)C1 ZINC001007501845 784937339 /nfs/dbraw/zinc/93/73/39/784937339.db2.gz 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C=CCN1CCC2(CC1)CN(C(=O)CCC(F)F)C[C@H](C)O2 ZINC001111547276 785483846 /nfs/dbraw/zinc/48/38/46/785483846.db2.gz NCCMQTQHTBYJAY-ZDUSSCGKSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)o1)C2 ZINC001109157344 785733010 /nfs/dbraw/zinc/73/30/10/785733010.db2.gz BOTXDFJVAHCURU-PVAVHDDUSA-N 0 3 318.417 2.055 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](OCC)C(=C)C)C2 ZINC001109361068 785821197 /nfs/dbraw/zinc/82/11/97/785821197.db2.gz KRLASWQTMVSPGV-QZWWFDLISA-N 0 3 304.434 2.103 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCN([C@@H]3CCc4ccccc43)C2)c1 ZINC001010480969 785823056 /nfs/dbraw/zinc/82/30/56/785823056.db2.gz URISDKAIWLEUDU-CRAIPNDOSA-N 0 3 320.396 2.378 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCC[C@@H](C)O)C1 ZINC001109696939 785989304 /nfs/dbraw/zinc/98/93/04/785989304.db2.gz PREQRINWAWGLLO-WCVJEAGWSA-N 0 3 306.450 2.225 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CCN(CC(=C)C)C[C@@H]2O)CCCCC1 ZINC001100134278 786112205 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C=C1CCC(C(=O)N[C@@H]2CCN(C[C@H]3CCCCO3)C2)CC1 ZINC001015659537 787165952 /nfs/dbraw/zinc/16/59/52/787165952.db2.gz DCCIHQRDJCCGSE-IAGOWNOFSA-N 0 3 306.450 2.492 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCc2ccsc2)cc1 ZINC001129464616 787215567 /nfs/dbraw/zinc/21/55/67/787215567.db2.gz VMSFSVSKQDLTAC-UHFFFAOYSA-N 0 3 313.426 2.458 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccn3c2CCCC3)cc1 ZINC001129700205 787238300 /nfs/dbraw/zinc/23/83/00/787238300.db2.gz BHZFWMNNBXZNEA-UHFFFAOYSA-N 0 3 322.412 2.216 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001130342870 787352709 /nfs/dbraw/zinc/35/27/09/787352709.db2.gz RQDLMKYGYXWMSY-CABCVRRESA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)C2CCC2)C1 ZINC001130399431 787387331 /nfs/dbraw/zinc/38/73/31/787387331.db2.gz VOBVJNQHXHKGJG-HIFRSBDPSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC[C@@H](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130700911 787460481 /nfs/dbraw/zinc/46/04/81/787460481.db2.gz 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C=CCOCCN1C[C@H](NC(=O)c2cc[nH]c2C)CC[C@@H]1C ZINC001131950074 787838312 /nfs/dbraw/zinc/83/83/12/787838312.db2.gz IPYYCXNEZWGVTJ-DZGCQCFKSA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cc[nH]c2CC)CC[C@@H]1C ZINC001132012944 787891845 /nfs/dbraw/zinc/89/18/45/787891845.db2.gz FDDLLWSDSVUDMR-LSDHHAIUSA-N 0 3 319.449 2.362 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cc[nH]c2CC)CC[C@@H]1C ZINC001132012942 787892979 /nfs/dbraw/zinc/89/29/79/787892979.db2.gz FDDLLWSDSVUDMR-GJZGRUSLSA-N 0 3 319.449 2.362 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCn2nc(C)cc2C)CC[C@H]1C ZINC001132211046 787968035 /nfs/dbraw/zinc/96/80/35/787968035.db2.gz LIXCSRMRRJLKKC-ZBFHGGJFSA-N 0 3 304.438 2.045 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132201159 787972125 /nfs/dbraw/zinc/97/21/25/787972125.db2.gz XHVBQCCTFZBQMM-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(CCc2ccnn2C)C1 ZINC001132227975 787982404 /nfs/dbraw/zinc/98/24/04/787982404.db2.gz KBDLFORMALSCJD-CABCVRRESA-N 0 3 318.465 2.144 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(=O)NC(C)C)CC[C@H]1C ZINC001132430275 788069678 /nfs/dbraw/zinc/06/96/78/788069678.db2.gz VTLJKPNZLQZWFH-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001132569543 788133112 /nfs/dbraw/zinc/13/31/12/788133112.db2.gz UGXPSIMOGNLBNB-KGLIPLIRSA-N 0 3 315.417 2.231 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001097622365 788150153 /nfs/dbraw/zinc/15/01/53/788150153.db2.gz CFXLMZZKPRPWDK-BMFZPTHFSA-N 0 3 310.401 2.474 20 30 DEEDHN CC1(C)CC[C@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132632772 788151009 /nfs/dbraw/zinc/15/10/09/788151009.db2.gz SBIYROICTVUVLK-AWEZNQCLSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001132667567 788160042 /nfs/dbraw/zinc/16/00/42/788160042.db2.gz NZYOLRJUYBWWAF-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001097737175 788206148 /nfs/dbraw/zinc/20/61/48/788206148.db2.gz KTKSEHBITVVYLL-TWMKSMIVSA-N 0 3 311.429 2.409 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cccc(F)c2F)cc1 ZINC001133036179 788256849 /nfs/dbraw/zinc/25/68/49/788256849.db2.gz GFRCATLCUCSZMZ-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=C1CCC(C(=O)NCCNCc2ccc(OC)nc2)CC1 ZINC001133369508 788387785 /nfs/dbraw/zinc/38/77/85/788387785.db2.gz ZEYKJKJTYSVYOU-UHFFFAOYSA-N 0 3 303.406 2.042 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001133378363 788390931 /nfs/dbraw/zinc/39/09/31/788390931.db2.gz DMEXMAXGJXHUSM-GOSISDBHSA-N 0 3 317.433 2.453 20 30 DEEDHN C=CCCC1(C(=O)NCCNCc2ccnc(OC)c2)CC1 ZINC001133375968 788396246 /nfs/dbraw/zinc/39/62/46/788396246.db2.gz QFSORORWIWKALT-UHFFFAOYSA-N 0 3 303.406 2.042 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN[C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC001133565731 788490557 /nfs/dbraw/zinc/49/05/57/788490557.db2.gz JBPHQEIZBHHPBT-OAHLLOKOSA-N 0 3 323.481 2.082 20 30 DEEDHN COCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133799881 788617127 /nfs/dbraw/zinc/61/71/27/788617127.db2.gz WULOGLOYHKRXMJ-HUUCEWRRSA-N 0 3 317.433 2.358 20 30 DEEDHN COc1nscc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134319264 788864626 /nfs/dbraw/zinc/86/46/26/788864626.db2.gz YRZYWHIKONPPRL-CHWSQXEVSA-N 0 3 323.462 2.184 20 30 DEEDHN Cc1csc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001134341643 788867552 /nfs/dbraw/zinc/86/75/52/788867552.db2.gz RCRRCJGCNRRNIJ-STQMWFEESA-N 0 3 307.463 2.484 20 30 DEEDHN CCc1nc(C)c(CN[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001134322757 788869924 /nfs/dbraw/zinc/86/99/24/788869924.db2.gz WAFPCRHPUGXBDR-STQMWFEESA-N 0 3 317.433 2.332 20 30 DEEDHN C[C@H](C[C@H](C)NCc1cc(C2CC2)no1)NC(=O)C#CC1CC1 ZINC001134320830 788870284 /nfs/dbraw/zinc/87/02/84/788870284.db2.gz APDKIQDEZDMFSW-QWHCGFSZSA-N 0 3 315.417 2.338 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134418162 788921569 /nfs/dbraw/zinc/92/15/69/788921569.db2.gz GNKVLWQZFXCHIU-QWHCGFSZSA-N 0 3 315.421 2.411 20 30 DEEDHN C#CCC1(C(=O)N[C@@H](C)C[C@@H](C)NCc2cnns2)CCC1 ZINC001134592417 788992453 /nfs/dbraw/zinc/99/24/53/788992453.db2.gz DMKPCHYSUYLMJH-OLZOCXBDSA-N 0 3 320.462 2.105 20 30 DEEDHN C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001134881271 789121804 /nfs/dbraw/zinc/12/18/04/789121804.db2.gz VUJMYENRJRVCFS-ZJUUUORDSA-N 0 3 308.813 2.060 20 30 DEEDHN Cc1ccc([C@H](C)C(=O)NCCNCc2ccc(C#N)cc2)o1 ZINC001134954221 789139287 /nfs/dbraw/zinc/13/92/87/789139287.db2.gz RDBBUGQMYCTJCB-AWEZNQCLSA-N 0 3 311.385 2.469 20 30 DEEDHN C[C@H](Cc1ccco1)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135182946 789234320 /nfs/dbraw/zinc/23/43/20/789234320.db2.gz HXABOZLODVSLAX-CQSZACIVSA-N 0 3 311.385 2.236 20 30 DEEDHN C=CC1(CC(=O)NCCN[C@H](CCCC)C(N)=O)CCCCC1 ZINC001135196749 789240316 /nfs/dbraw/zinc/24/03/16/789240316.db2.gz GWPIRSXTNKANNQ-OAHLLOKOSA-N 0 3 323.481 2.263 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001135225342 789249426 /nfs/dbraw/zinc/24/94/26/789249426.db2.gz QEWADQLAZWXNAN-HZPDHXFCSA-N 0 3 318.465 2.470 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cnns1 ZINC001135226122 789251119 /nfs/dbraw/zinc/25/11/19/789251119.db2.gz XKRDJVANQRRHCA-QWHCGFSZSA-N 0 3 308.451 2.105 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)cn1 ZINC001135234970 789253494 /nfs/dbraw/zinc/25/34/94/789253494.db2.gz FEXCGCCWHFKLCF-OLZOCXBDSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccc(OC)nn1 ZINC001135357760 789298847 /nfs/dbraw/zinc/29/88/47/789298847.db2.gz IANRJKIBJYMXRP-UONOGXRCSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccc(OC)nn1 ZINC001135357761 789299175 /nfs/dbraw/zinc/29/91/75/789299175.db2.gz IANRJKIBJYMXRP-ZIAGYGMSSA-N 0 3 320.437 2.214 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070863308 789471475 /nfs/dbraw/zinc/47/14/75/789471475.db2.gz SIGWCGBZOITQMO-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CC1CCCC1)C[C@@H](C)O2 ZINC001071127380 789541860 /nfs/dbraw/zinc/54/18/60/789541860.db2.gz NCIZLIXPGIEYJD-VQIMIIECSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001071133324 789548610 /nfs/dbraw/zinc/54/86/10/789548610.db2.gz ZIMOTXKWNICMCO-ARFHVFGLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001071135807 789550215 /nfs/dbraw/zinc/55/02/15/789550215.db2.gz YOWBWMJENZRZNA-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)C)C[C@@H](C)O2 ZINC001071138948 789552523 /nfs/dbraw/zinc/55/25/23/789552523.db2.gz MSEGUIHQFQFXBR-CRAIPNDOSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(F)(F)F)C[C@H](C)O2 ZINC001071140781 789554015 /nfs/dbraw/zinc/55/40/15/789554015.db2.gz BEFDFCHJHQBJMM-GXTWGEPZSA-N 0 3 320.355 2.207 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C(/C)C1CC1)C[C@H](C)O2 ZINC001071144237 789556398 /nfs/dbraw/zinc/55/63/98/789556398.db2.gz JJAQTUFTVREDSW-IZVVPPCGSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1[nH]ccc1C)C[C@@H](C)O2 ZINC001071164119 789568969 /nfs/dbraw/zinc/56/89/69/789568969.db2.gz HMGSSBDVMQEVSM-QAPCUYQASA-N 0 3 317.433 2.205 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc2c1COCC2 ZINC001159736083 789664197 /nfs/dbraw/zinc/66/41/97/789664197.db2.gz WCBZFSWPMPXIQJ-UHFFFAOYSA-N 0 3 308.809 2.221 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001071351193 789676507 /nfs/dbraw/zinc/67/65/07/789676507.db2.gz RYVHZHZFYOQUPG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)=CCN1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[C@@H]1C ZINC001071427875 789719971 /nfs/dbraw/zinc/71/99/71/789719971.db2.gz RMWGUQJZTRHUHI-DZGCQCFKSA-N 0 3 300.406 2.435 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)CC[C@@H]1C ZINC001071512454 789751603 /nfs/dbraw/zinc/75/16/03/789751603.db2.gz YCVVPAZUQAFLGX-HOCLYGCPSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cccnc3n2)CC[C@H]1C ZINC001071520312 789756139 /nfs/dbraw/zinc/75/61/39/789756139.db2.gz CPKRPWJKJRPYCM-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)CC[C@H]1C ZINC001071548848 789773187 /nfs/dbraw/zinc/77/31/87/789773187.db2.gz MOCHFZJSAFGPQS-HIFRSBDPSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncc(C)cc2OC)CC[C@@H]1C ZINC001071574386 789789059 /nfs/dbraw/zinc/78/90/59/789789059.db2.gz NEUWZEVMWVYAME-GJZGRUSLSA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)CC[C@H]1C ZINC001071576799 789789527 /nfs/dbraw/zinc/78/95/27/789789527.db2.gz PPRJQHKOLCGVCU-NEPJUHHUSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cn(C)nc2CC)CC[C@@H]1C ZINC001071594067 789801025 /nfs/dbraw/zinc/80/10/25/789801025.db2.gz MMLHGKFPJFNZPN-KBPBESRZSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cncc(OC)c2C)CC[C@@H]1C ZINC001071610319 789813954 /nfs/dbraw/zinc/81/39/54/789813954.db2.gz SHFYCDXKTAOJNH-DZGCQCFKSA-N 0 3 315.417 2.005 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cccc3ncn(C)c32)CC[C@H]1C ZINC001071622162 789820431 /nfs/dbraw/zinc/82/04/31/789820431.db2.gz GVJYDJIIFCWFSJ-KGLIPLIRSA-N 0 3 312.417 2.342 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)c2ccc3cncn3c2C)CC[C@H]1C ZINC001071629274 789826630 /nfs/dbraw/zinc/82/66/30/789826630.db2.gz XLSWBWFXIQBIQA-GDBMZVCRSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@H]1C ZINC001071666794 789852557 /nfs/dbraw/zinc/85/25/57/789852557.db2.gz RELJXAZMNGQSMH-TZMCWYRMSA-N 0 3 304.390 2.025 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(Cl)cn2C)CC[C@@H]1C ZINC001071670024 789853810 /nfs/dbraw/zinc/85/38/10/789853810.db2.gz DSGRIQZIZQYREW-JSGCOSHPSA-N 0 3 307.825 2.285 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2sc(C)nc2C)CC[C@@H]1C ZINC001071698498 789872679 /nfs/dbraw/zinc/87/26/79/789872679.db2.gz RDVVOMPVZBSJCC-WFASDCNBSA-N 0 3 319.474 2.295 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnc3ccncc32)CC[C@@H]1C ZINC001071705022 789877079 /nfs/dbraw/zinc/87/70/79/789877079.db2.gz JNJAEDBTYIURGT-LSDHHAIUSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)CC[C@H]1C ZINC001071765631 789909188 /nfs/dbraw/zinc/90/91/88/789909188.db2.gz IHGZFAJWCRGGJS-CABCVRRESA-N 0 3 317.433 2.102 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cn2ncc3ccccc32)CC[C@@H]1C ZINC001071904801 789966825 /nfs/dbraw/zinc/96/68/25/789966825.db2.gz PBDREXXDQPESPX-RDJZCZTQSA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)CC[C@@H]1C ZINC001071982014 789997580 /nfs/dbraw/zinc/99/75/80/789997580.db2.gz LVCPHZJTCHXBCF-HOCLYGCPSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccccc2OC)CC[C@@H]1C ZINC001072054724 790034861 /nfs/dbraw/zinc/03/48/61/790034861.db2.gz IPKHNQUQDYOVFR-GOEBONIOSA-N 0 3 302.418 2.393 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2N(C)C)CC[C@@H]1C ZINC001072116768 790059034 /nfs/dbraw/zinc/05/90/34/790059034.db2.gz QSPWWUKBTZFNBR-HOTGVXAUSA-N 0 3 313.445 2.359 20 30 DEEDHN CC#CCN1CC[C@H](CN(Cc2scnc2C)C(C)=O)C1 ZINC001072131939 790064647 /nfs/dbraw/zinc/06/46/47/790064647.db2.gz HTPGHCKCZDAMIJ-HNNXBMFYSA-N 0 3 305.447 2.145 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001072355102 790123214 /nfs/dbraw/zinc/12/32/14/790123214.db2.gz RAHIYDJGQQGZTC-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccnn3C3CCCC3)C2)C1 ZINC001072788668 790248037 /nfs/dbraw/zinc/24/80/37/790248037.db2.gz XBLABIUHUDDSGK-UHFFFAOYSA-N 0 3 314.433 2.332 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(F)F)nc3)C2)C1 ZINC001072803322 790251299 /nfs/dbraw/zinc/25/12/99/790251299.db2.gz MHQOZLXDUDGCBA-UHFFFAOYSA-N 0 3 307.344 2.353 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)N1CCCCCC1 ZINC001146247994 791243380 /nfs/dbraw/zinc/24/33/80/791243380.db2.gz RULHCFVYGKGTTL-HNNXBMFYSA-N 0 3 322.449 2.054 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C3(COC)CCCCC3)C2)C1 ZINC001147681718 791595139 /nfs/dbraw/zinc/59/51/39/791595139.db2.gz CBFXWHLCTGNVSF-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OCC)C2 ZINC001098311331 791605830 /nfs/dbraw/zinc/60/58/30/791605830.db2.gz FQVZLHNDBZHUGM-OIISXLGYSA-N 0 3 312.413 2.444 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cc3ccccc3o2)nc1 ZINC001148370070 791742368 /nfs/dbraw/zinc/74/23/68/791742368.db2.gz HOUUDOARKNUYPO-UHFFFAOYSA-N 0 3 319.364 2.329 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@@H](CCCC)C(N)=O ZINC001148721473 791792855 /nfs/dbraw/zinc/79/28/55/791792855.db2.gz DMVCCYVAFDPQKQ-HNNXBMFYSA-N 0 3 313.486 2.487 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)N1CCCC1 ZINC001148727711 791793611 /nfs/dbraw/zinc/79/36/11/791793611.db2.gz HNXGGDLWULHYTM-UHFFFAOYSA-N 0 3 311.470 2.065 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)n3cccc3)C2)CC1 ZINC001086916176 791854950 /nfs/dbraw/zinc/85/49/50/791854950.db2.gz CJUJHTYLLMGARU-IAGOWNOFSA-N 0 3 313.445 2.385 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3oncc3C)C2)CC1 ZINC001086952002 791862553 /nfs/dbraw/zinc/86/25/53/791862553.db2.gz XKMRLHSMCWVZSP-HNNXBMFYSA-N 0 3 315.417 2.323 20 30 DEEDHN CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC001087105699 791876589 /nfs/dbraw/zinc/87/65/89/791876589.db2.gz QENIRWMTIIZYFE-WBMJQRKESA-N 0 3 303.381 2.434 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)COC3CCCCC3)C[C@]2(C)C1 ZINC001091808529 791884895 /nfs/dbraw/zinc/88/48/95/791884895.db2.gz MBINJOGOFDKDTH-APWZRJJASA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4n3C)C[C@]2(C)C1 ZINC001091960758 791904930 /nfs/dbraw/zinc/90/49/30/791904930.db2.gz NYHXIRCXQSRVDB-UZLBHIALSA-N 0 3 321.424 2.205 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCc3ccccc3C)C[C@]2(C)C1 ZINC001092044124 791920828 /nfs/dbraw/zinc/92/08/28/791920828.db2.gz JPXGDEMVMOYTGN-QUCCMNQESA-N 0 3 310.441 2.341 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCc4ccccc4C3)C[C@]2(C)C1 ZINC001092047747 791923331 /nfs/dbraw/zinc/92/33/31/791923331.db2.gz NYKAFFUWLURLFC-SBHAEUEKSA-N 0 3 322.452 2.205 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001098859523 791965830 /nfs/dbraw/zinc/96/58/30/791965830.db2.gz QHCDYFWVXSEIIW-YJBOKZPZSA-N 0 3 316.449 2.309 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001098943278 791993242 /nfs/dbraw/zinc/99/32/42/791993242.db2.gz YMVCDSZLDHFMIW-UGSOOPFHSA-N 0 3 310.401 2.333 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3ncccc32)C1 ZINC001098966139 792006155 /nfs/dbraw/zinc/00/61/55/792006155.db2.gz YSOAADUFTLJZTA-YWZLYKJASA-N 0 3 319.408 2.452 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001099010657 792034116 /nfs/dbraw/zinc/03/41/16/792034116.db2.gz JHGBJOZTNMUVBR-ICSRJNTNSA-N 0 3 310.441 2.450 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)c1ccnn1C ZINC001099080150 792080644 /nfs/dbraw/zinc/08/06/44/792080644.db2.gz MXRJUVBPXKAWQQ-CABCVRRESA-N 0 3 318.465 2.316 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001099116547 792101964 /nfs/dbraw/zinc/10/19/64/792101964.db2.gz UEEFBPZOUFSYBT-CQSZACIVSA-N 0 3 321.421 2.155 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C)nc2Cl)C1 ZINC001099117046 792102211 /nfs/dbraw/zinc/10/22/11/792102211.db2.gz GDQUFXOZIXXZIW-LRDDRELGSA-N 0 3 322.840 2.234 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001099116546 792102263 /nfs/dbraw/zinc/10/22/63/792102263.db2.gz UEEFBPZOUFSYBT-AWEZNQCLSA-N 0 3 321.421 2.155 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c3cccnc23)C1 ZINC001099121307 792104793 /nfs/dbraw/zinc/10/47/93/792104793.db2.gz VWKNSCJVLQZWJI-UGSOOPFHSA-N 0 3 310.401 2.333 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cc(C)ccc2F)C1 ZINC001099131312 792108809 /nfs/dbraw/zinc/10/88/09/792108809.db2.gz ROKFDURHYKDRAY-LPHOPBHVSA-N 0 3 314.404 2.281 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C(F)(F)F ZINC001099212342 792140919 /nfs/dbraw/zinc/14/09/19/792140919.db2.gz CIMWXZOSEWAILY-CHWSQXEVSA-N 0 3 313.323 2.169 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC001099263143 792154724 /nfs/dbraw/zinc/15/47/24/792154724.db2.gz BRFNRRYUDMJCJR-OAHLLOKOSA-N 0 3 304.438 2.135 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1C(F)(F)F ZINC001099266384 792157013 /nfs/dbraw/zinc/15/70/13/792157013.db2.gz KTDIAAQRZNYEGX-VXGBXAGGSA-N 0 3 302.340 2.342 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnn([C@@H](C)CC)c2C)[C@H](C)C1 ZINC001093118667 792241504 /nfs/dbraw/zinc/24/15/04/792241504.db2.gz RHBIXJQZLKXHGQ-IJEWVQPXSA-N 0 3 316.449 2.093 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)/C=C\C2CC2)CC2(CCOCC2)C1 ZINC001099574862 792249306 /nfs/dbraw/zinc/24/93/06/792249306.db2.gz NWBQVCJMPXOZOF-KJPDOMRESA-N 0 3 304.434 2.126 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@H](C)C(C)C)CC2(CCOCC2)C1 ZINC001099593373 792256245 /nfs/dbraw/zinc/25/62/45/792256245.db2.gz WTVQNKCWIOTLBW-CVEARBPZSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2ccon2)CC1 ZINC001093359136 792340816 /nfs/dbraw/zinc/34/08/16/792340816.db2.gz IWBBRPJVBJNBNE-INIZCTEOSA-N 0 3 313.401 2.015 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099945439 792413808 /nfs/dbraw/zinc/41/38/08/792413808.db2.gz XFLCTBSVEGYGSN-SJORKVTESA-N 0 3 316.445 2.259 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C[C@H]1O ZINC001099975516 792426654 /nfs/dbraw/zinc/42/66/54/792426654.db2.gz CQURLSKCWYVJBF-ZWKOTPCHSA-N 0 3 316.445 2.403 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCC2CCCC2)[C@H](O)C1 ZINC001100129752 792481972 /nfs/dbraw/zinc/48/19/72/792481972.db2.gz RMBXWBWCTGDNBH-DLBZAZTESA-N 0 3 308.466 2.474 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNc1cccc(F)c1C#N ZINC001093668807 792523652 /nfs/dbraw/zinc/52/36/52/792523652.db2.gz SZWYXJYJOQTIMF-CHWSQXEVSA-N 0 3 318.396 2.098 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1 ZINC001093679469 792542698 /nfs/dbraw/zinc/54/26/98/792542698.db2.gz VBAODEZQRQDGRJ-YNEHKIRRSA-N 0 3 321.371 2.309 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2cncs2)C1 ZINC001100259268 792549046 /nfs/dbraw/zinc/54/90/46/792549046.db2.gz DCKZKIDKWGTUIC-UHFFFAOYSA-N 0 3 305.447 2.321 20 30 DEEDHN N#Cc1ccc(F)c(CNC2CC(CNC(=O)CCCF)C2)c1 ZINC001100579402 792731475 /nfs/dbraw/zinc/73/14/75/792731475.db2.gz SUNOTGOACNHFOI-UHFFFAOYSA-N 0 3 321.371 2.431 20 30 DEEDHN C=CCCC1(C(=O)NCC2CC(NCc3ccnn3C)C2)CC1 ZINC001100642541 792762786 /nfs/dbraw/zinc/76/27/86/792762786.db2.gz BPRMIBDOQHOOFE-UHFFFAOYSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C)CCOCC2)C1 ZINC001100762446 792831909 /nfs/dbraw/zinc/83/19/09/792831909.db2.gz WEHZTKOSYNGWLK-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccnn3C(C)C)CCC[C@@H]12 ZINC001094424513 792913449 /nfs/dbraw/zinc/91/34/49/792913449.db2.gz XOZXXQHMXQKALG-SJLPKXTDSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3c(C)noc3CC)CCC[C@@H]12 ZINC001094575734 792989079 /nfs/dbraw/zinc/98/90/79/792989079.db2.gz COSVTNFUVKTCFC-CRAIPNDOSA-N 0 3 315.417 2.153 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3c(C)onc3CC)CCC[C@@H]12 ZINC001094576276 792989449 /nfs/dbraw/zinc/98/94/49/792989449.db2.gz ZEYITVWGFWXXNE-CRAIPNDOSA-N 0 3 315.417 2.153 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)C3(C)CC3)c2)C1 ZINC001101094245 793014889 /nfs/dbraw/zinc/01/48/89/793014889.db2.gz TYSGPXMHZLKHSI-MRXNPFEDSA-N 0 3 315.417 2.137 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)CCC(C)(C)C)C[C@]2(C)C1 ZINC001101401282 793144482 /nfs/dbraw/zinc/14/44/82/793144482.db2.gz RIYZIEKAIWOYTR-APWZRJJASA-N 0 3 320.477 2.243 20 30 DEEDHN C#Cc1cccc(CN[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c1 ZINC001171691589 793189902 /nfs/dbraw/zinc/18/99/02/793189902.db2.gz SOKNQJSYOBPUBN-HNNXBMFYSA-N 0 3 314.385 2.294 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCOC2(CCOCC2)C1 ZINC001172311125 793394315 /nfs/dbraw/zinc/39/43/15/793394315.db2.gz PGHBKVYAVJDRIC-HNNXBMFYSA-N 0 3 300.402 2.371 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1C ZINC001101920940 793440996 /nfs/dbraw/zinc/44/09/96/793440996.db2.gz QVDWQGVQPVHVPZ-CZUORRHYSA-N 0 3 317.433 2.279 20 30 DEEDHN CCCC[C@@H](C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001101933191 793447141 /nfs/dbraw/zinc/44/71/41/793447141.db2.gz AFVLCABPHQVUMX-BRWVUGGUSA-N 0 3 308.466 2.147 20 30 DEEDHN Cc1ncc(CN2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)o1 ZINC001101955020 793459474 /nfs/dbraw/zinc/45/94/74/793459474.db2.gz OOXDMCAZSVRDPI-UKRRQHHQSA-N 0 3 317.433 2.217 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@@H]2CC=CCC2)[C@H](C)C1 ZINC001102227558 793537022 /nfs/dbraw/zinc/53/70/22/793537022.db2.gz HYDMYEVJANQHOZ-KZNAEPCWSA-N 0 3 318.461 2.067 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCC[C@@H](OC)C1 ZINC001172944868 793541464 /nfs/dbraw/zinc/54/14/64/793541464.db2.gz YKOSUDRTIODPOQ-ZMSDIMECSA-N 0 3 319.449 2.480 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102262714 793549625 /nfs/dbraw/zinc/54/96/25/793549625.db2.gz JGKVBIMBUJOLMC-HLLBOEOZSA-N 0 3 318.465 2.207 20 30 DEEDHN CN([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)[C@H]1CCCOC1 ZINC001172991839 793561971 /nfs/dbraw/zinc/56/19/71/793561971.db2.gz BTGSPXABMGKWNO-ILXRZTDVSA-N 0 3 323.437 2.389 20 30 DEEDHN CCOC(=O)C1(NC2CCC(CC#N)CC2)CCN(CC)CC1 ZINC001173334490 793681628 /nfs/dbraw/zinc/68/16/28/793681628.db2.gz SZSCCKFZZKSUTA-UHFFFAOYSA-N 0 3 321.465 2.466 20 30 DEEDHN CC(=O)N1CCC[C@@]2(C1)CN(C1CCC(CC#N)CC1)CCO2 ZINC001173335660 793682379 /nfs/dbraw/zinc/68/23/79/793682379.db2.gz UMBGMCHWFCXQPH-DAWZGUTISA-N 0 3 319.449 2.172 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnc(C)[nH]2)C1 ZINC001102787756 793756866 /nfs/dbraw/zinc/75/68/66/793756866.db2.gz GCEFCMDTULWJIB-ZWNOBZJWSA-N 0 3 310.829 2.158 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2c(C)ncn2C)C1 ZINC001103111780 793945547 /nfs/dbraw/zinc/94/55/47/793945547.db2.gz OKGVJJDDPLNLQO-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1C ZINC001103382525 794065732 /nfs/dbraw/zinc/06/57/32/794065732.db2.gz LLZFMJCQKXWUSW-UKRRQHHQSA-N 0 3 319.453 2.044 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1sc(COC)nc1C ZINC001174795423 794078735 /nfs/dbraw/zinc/07/87/35/794078735.db2.gz NGTIXDDZSYVMOQ-UHFFFAOYSA-N 0 3 317.842 2.060 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2oncc2C)C1 ZINC001103605325 794156780 /nfs/dbraw/zinc/15/67/80/794156780.db2.gz LYIVUCOABQIJAV-DGCLKSJQSA-N 0 3 311.813 2.423 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2[nH]cnc2CC)C1 ZINC001103684649 794188811 /nfs/dbraw/zinc/18/88/11/794188811.db2.gz SBPGSLLTWYJYLK-DGCLKSJQSA-N 0 3 324.856 2.412 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1C ZINC001103932127 794312702 /nfs/dbraw/zinc/31/27/02/794312702.db2.gz LYTDTIMDPOUFBS-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@H]1C ZINC001103987613 794338078 /nfs/dbraw/zinc/33/80/78/794338078.db2.gz XMNBNHFYIJOGRT-MBNYWOFBSA-N 0 3 302.846 2.096 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1C ZINC001104064764 794366698 /nfs/dbraw/zinc/36/66/98/794366698.db2.gz SBBKWLGZQMJNIE-BXUZGUMPSA-N 0 3 323.824 2.228 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnc(C)o2)C1 ZINC001104126834 794389954 /nfs/dbraw/zinc/38/99/54/794389954.db2.gz DFAKCFMJYIWORX-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C(C)C)C1 ZINC001111844723 794498615 /nfs/dbraw/zinc/49/86/15/794498615.db2.gz NZLCDROAJUWASU-UXLLHSPISA-N 0 3 312.429 2.154 20 30 DEEDHN Cc1ncoc1CNCCCNC(=O)CC#Cc1ccccc1 ZINC001176768359 794501184 /nfs/dbraw/zinc/50/11/84/794501184.db2.gz UBFSUYFTBADOLA-UHFFFAOYSA-N 0 3 311.385 2.021 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1C(F)(F)F ZINC001112083662 794556945 /nfs/dbraw/zinc/55/69/45/794556945.db2.gz MOUCCVPWCUEYOO-QJPTWQEYSA-N 0 3 302.340 2.035 20 30 DEEDHN C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC=C)C2)CCC1 ZINC001112114386 794560883 /nfs/dbraw/zinc/56/08/83/794560883.db2.gz OTVFTQUDZYKAAL-CHWSQXEVSA-N 0 3 314.351 2.345 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001177401657 794660677 /nfs/dbraw/zinc/66/06/77/794660677.db2.gz XQQUHJKTCUDXRC-KRWDZBQOSA-N 0 3 322.836 2.323 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)CCCC)[C@H]1C ZINC001178139457 794839395 /nfs/dbraw/zinc/83/93/95/794839395.db2.gz GFXJSHHDQIEWEC-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cccnn2)CCCCC1 ZINC001115784861 794919204 /nfs/dbraw/zinc/91/92/04/794919204.db2.gz OBGHELYAVPYTHC-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN Cc1nnc([C@@H](C)NCCCCCCNC(=O)C#CC(C)C)[nH]1 ZINC001178418976 794922890 /nfs/dbraw/zinc/92/28/90/794922890.db2.gz NMTUWQFPIPQOSK-CQSZACIVSA-N 0 3 319.453 2.100 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)[C@@H]1C ZINC001178645220 794962682 /nfs/dbraw/zinc/96/26/82/794962682.db2.gz IAANLURCXHTCLO-ZFWWWQNUSA-N 0 3 319.836 2.473 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001178773972 795003344 /nfs/dbraw/zinc/00/33/44/795003344.db2.gz VZSHHMYNSRGWOR-YOEHRIQHSA-N 0 3 316.449 2.268 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179307314 795090551 /nfs/dbraw/zinc/09/05/51/795090551.db2.gz URBBESWXUQKTOW-UONOGXRCSA-N 0 3 321.469 2.338 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001179364002 795106190 /nfs/dbraw/zinc/10/61/90/795106190.db2.gz DFKIFEQLHLUKDT-DZKIICNBSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)[C@@H]1C ZINC001179364405 795106759 /nfs/dbraw/zinc/10/67/59/795106759.db2.gz KDNDWRXAYKCNOW-KKUMJFAQSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179482114 795123097 /nfs/dbraw/zinc/12/30/97/795123097.db2.gz PGMRNGGOOVEWTL-KRWDZBQOSA-N 0 3 321.469 2.184 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179692449 795154374 /nfs/dbraw/zinc/15/43/74/795154374.db2.gz IWNFCAVPZUWOQU-UHFFFAOYSA-N 0 3 321.469 2.482 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC(C)=O)C1 ZINC001120318564 795439209 /nfs/dbraw/zinc/43/92/09/795439209.db2.gz GHCXGYBIEPNBCD-ZWKOTPCHSA-N 0 3 318.461 2.472 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cnc(C)o2)C1 ZINC001181324189 795458610 /nfs/dbraw/zinc/45/86/10/795458610.db2.gz CZAFSYKZMULOIH-RDTXWAMCSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2ncccc2C)C1 ZINC001181476535 795483988 /nfs/dbraw/zinc/48/39/88/795483988.db2.gz QUJHFZVNZCLUKU-JKSUJKDBSA-N 0 3 317.433 2.062 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC001181543017 795490374 /nfs/dbraw/zinc/49/03/74/795490374.db2.gz KKVKHTWXZJVWRX-JKSUJKDBSA-N 0 3 323.481 2.177 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cncc(C)c2)C1 ZINC001181890497 795557506 /nfs/dbraw/zinc/55/75/06/795557506.db2.gz JUXNWGGPDTYVRX-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CC2(CC(NCc3cnns3)C2)C1 ZINC001121534696 795644976 /nfs/dbraw/zinc/64/49/76/795644976.db2.gz TYVUFWCVWXFETO-UHFFFAOYSA-N 0 3 320.462 2.267 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001151254318 795718972 /nfs/dbraw/zinc/71/89/72/795718972.db2.gz FUETZLNOKRNOEI-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 ZINC001122134248 795729828 /nfs/dbraw/zinc/72/98/28/795729828.db2.gz NKSWRHWLPPCNPM-HZPDHXFCSA-N 0 3 324.465 2.152 20 30 DEEDHN Cc1csc(C[C@@H]2CCN(C(=O)[C@H](N)CCCCC#N)C2)n1 ZINC001122250851 795739088 /nfs/dbraw/zinc/73/90/88/795739088.db2.gz WGDIGQIWONZDBO-UONOGXRCSA-N 0 3 320.462 2.254 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001122537025 795773824 /nfs/dbraw/zinc/77/38/24/795773824.db2.gz FJDXXBLNNAAYOR-QLFBSQMISA-N 0 3 321.469 2.217 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@H](NCc2cncs2)C1)OCC ZINC001182973215 795790976 /nfs/dbraw/zinc/79/09/76/795790976.db2.gz BNKPKAPEQUNANF-UKRRQHHQSA-N 0 3 323.462 2.205 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)/C=C/c2ccco2)ccc1F ZINC001122736299 795799827 /nfs/dbraw/zinc/79/98/27/795799827.db2.gz YQOPLVRRNOTAHB-GQCTYLIASA-N 0 3 313.332 2.210 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)CC1CCCCC1 ZINC001123151625 795861945 /nfs/dbraw/zinc/86/19/45/795861945.db2.gz RUCVVXYUEUYRQV-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2[C@@H]1O ZINC001183390769 795863465 /nfs/dbraw/zinc/86/34/65/795863465.db2.gz LEMZJGSPPFDMPJ-JQHSSLGASA-N 0 3 314.429 2.049 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cncc(C)n1)CC2 ZINC001203167290 795878780 /nfs/dbraw/zinc/87/87/80/795878780.db2.gz FLVGVYSKEBYCNU-SFHVURJKSA-N 0 3 314.433 2.318 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCCN1C ZINC001123649037 795948800 /nfs/dbraw/zinc/94/88/00/795948800.db2.gz BWWPBSGMCDDLBE-KRWDZBQOSA-N 0 3 317.408 2.455 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2nccn2CC)[C@@H](C)C1 ZINC001184020175 795974896 /nfs/dbraw/zinc/97/48/96/795974896.db2.gz NDPWUWAYBGFTIX-HOTGVXAUSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cncc(C(F)(F)F)c2)CC1 ZINC001123931643 796003287 /nfs/dbraw/zinc/00/32/87/796003287.db2.gz WNWUFQCKXNQGAO-UHFFFAOYSA-N 0 3 311.307 2.384 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](CNCc2nccs2)[C@@H](C)C1 ZINC001184358530 796040801 /nfs/dbraw/zinc/04/08/01/796040801.db2.gz XLIABFUXQTUBRQ-LSDHHAIUSA-N 0 3 319.474 2.377 20 30 DEEDHN C/C(=C\C(=O)NCCNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001124217141 796046024 /nfs/dbraw/zinc/04/60/24/796046024.db2.gz LTQYNLDYENRYPY-XYOKQWHBSA-N 0 3 301.365 2.259 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)o1 ZINC001184371752 796056193 /nfs/dbraw/zinc/05/61/93/796056193.db2.gz OSBIOBLTGGLJJQ-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN CC(=O)Nc1ccccc1CNCCNc1ncccc1C#N ZINC001184438500 796057554 /nfs/dbraw/zinc/05/75/54/796057554.db2.gz HCUMHNMNCCPJGI-UHFFFAOYSA-N 0 3 309.373 2.113 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)CCCC(C)(C)C ZINC001124787944 796089321 /nfs/dbraw/zinc/08/93/21/796089321.db2.gz VKYJJSIOBZJABC-UHFFFAOYSA-N 0 3 323.481 2.109 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001185064401 796173803 /nfs/dbraw/zinc/17/38/03/796173803.db2.gz NQIUXVKDEDTPHL-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001185070619 796182373 /nfs/dbraw/zinc/18/23/73/796182373.db2.gz HTNPDAHTUUPLIM-GDBMZVCRSA-N 0 3 302.422 2.078 20 30 DEEDHN C#CCOc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC001138343157 796200145 /nfs/dbraw/zinc/20/01/45/796200145.db2.gz HUXALUJTXJGYJS-LSDHHAIUSA-N 0 3 302.418 2.232 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@@H](CNCC#N)[C@@H](C)C1 ZINC001185316152 796235280 /nfs/dbraw/zinc/23/52/80/796235280.db2.gz CHDUVZKVVXOVQJ-IRXDYDNUSA-N 0 3 322.497 2.096 20 30 DEEDHN C#CCOc1ccc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)cc1 ZINC001138557845 796235300 /nfs/dbraw/zinc/23/53/00/796235300.db2.gz RCMZRRYSJXHCSQ-GASCZTMLSA-N 0 3 307.340 2.412 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1[O-] ZINC001138628091 796245508 /nfs/dbraw/zinc/24/55/08/796245508.db2.gz MXCNULBPOOVURV-UHFFFAOYSA-N 0 3 302.374 2.195 20 30 DEEDHN Cc1oncc1CN[C@@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202876974 796301733 /nfs/dbraw/zinc/30/17/33/796301733.db2.gz KYJPSYSHWTUXJZ-CVEARBPZSA-N 0 3 315.417 2.159 20 30 DEEDHN Cc1oncc1CN[C@H]1C[C@@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202876977 796302074 /nfs/dbraw/zinc/30/20/74/796302074.db2.gz KYJPSYSHWTUXJZ-JKSUJKDBSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCC[C@H](C)NCc1cn([C@@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185834401 796321374 /nfs/dbraw/zinc/32/13/74/796321374.db2.gz QFYCVEMGVUTBHY-GOEBONIOSA-N 0 3 319.453 2.296 20 30 DEEDHN C=CCC[C@@H](C)NCc1cn([C@@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185834399 796321617 /nfs/dbraw/zinc/32/16/17/796321617.db2.gz QFYCVEMGVUTBHY-GDBMZVCRSA-N 0 3 319.453 2.296 20 30 DEEDHN COc1ccccc1CNC(=O)N1CCC2SC(=O)C=C2C1 ZINC001186109545 796362211 /nfs/dbraw/zinc/36/22/11/796362211.db2.gz NMFKQCWNOASHPZ-CQSZACIVSA-N 0 3 318.398 2.179 20 30 DEEDHN CC(=O)N[C@@H]1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405928 796370967 /nfs/dbraw/zinc/37/09/67/796370967.db2.gz FOQGGQHHLCSRPE-GOSISDBHSA-N 0 3 320.396 2.331 20 30 DEEDHN N#CCC1CCN(Cc2ccc(N3CCOCC3)nc2)CC1 ZINC001139433544 796375387 /nfs/dbraw/zinc/37/53/87/796375387.db2.gz VRSQWFYLOAIDEQ-UHFFFAOYSA-N 0 3 300.406 2.044 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001186803807 796439549 /nfs/dbraw/zinc/43/95/49/796439549.db2.gz OTXFKRIAQVNXJT-IXDOHACOSA-N 0 3 304.434 2.078 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139876140 796440305 /nfs/dbraw/zinc/44/03/05/796440305.db2.gz MLEZSOXIOOAFIQ-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN N#Cc1ccc(CC2CCN(CC3C(=O)N=CNC3=O)CC2)cc1 ZINC001140471993 796527362 /nfs/dbraw/zinc/52/73/62/796527362.db2.gz IKGSPRAUOWYTRI-UHFFFAOYSA-N 0 3 324.384 2.214 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001187340715 796527813 /nfs/dbraw/zinc/52/78/13/796527813.db2.gz BTOKWXUPWKLJMA-LSDHHAIUSA-N 0 3 311.470 2.062 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001187523724 796546838 /nfs/dbraw/zinc/54/68/38/796546838.db2.gz UQJJUWPNXVMMJS-JKSUJKDBSA-N 0 3 318.417 2.245 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC001187607952 796555134 /nfs/dbraw/zinc/55/51/34/796555134.db2.gz BLDPTWJQFWTJEB-FUHWJXTLSA-N 0 3 314.429 2.021 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001188210100 796644494 /nfs/dbraw/zinc/64/44/94/796644494.db2.gz FLZLBPIVXNIAGI-GOSISDBHSA-N 0 3 312.413 2.018 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001188224129 796645652 /nfs/dbraw/zinc/64/56/52/796645652.db2.gz IXKARCARQBHFRQ-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)CCC(C)(F)F)[C@@H]2C1 ZINC001188381560 796663736 /nfs/dbraw/zinc/66/37/36/796663736.db2.gz FGMCHVMGZRWCKD-UONOGXRCSA-N 0 3 316.392 2.157 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2OC)C1 ZINC001188422790 796668529 /nfs/dbraw/zinc/66/85/29/796668529.db2.gz ZHNUCFRZRGBIQO-OAHLLOKOSA-N 0 3 314.429 2.187 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC001188653716 796696783 /nfs/dbraw/zinc/69/67/83/796696783.db2.gz WMWNCRKFWYWAOK-IDTUSYRASA-N 0 3 304.390 2.028 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)[C@@H](OCC)C3CCCC3)[C@@H]2C1 ZINC001188689682 796705969 /nfs/dbraw/zinc/70/59/69/796705969.db2.gz AGHJBXYLTIBMHO-KSZLIROESA-N 0 3 318.461 2.138 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccncc3)CC2)n1 ZINC001142342475 796737006 /nfs/dbraw/zinc/73/70/06/796737006.db2.gz UYCYZQZAHMCBOM-UHFFFAOYSA-N 0 3 321.384 2.199 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001189110022 796764491 /nfs/dbraw/zinc/76/44/91/796764491.db2.gz JQRRRDSHYZJBLB-HRCADAONSA-N 0 3 318.417 2.118 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc(CO)cc2)C1 ZINC001189278892 796794961 /nfs/dbraw/zinc/79/49/61/796794961.db2.gz FLRLMLGKJATQQZ-KRWDZBQOSA-N 0 3 302.418 2.178 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189301430 796799349 /nfs/dbraw/zinc/79/93/49/796799349.db2.gz RWYJUVRMGNIPIY-WMLDXEAASA-N 0 3 315.417 2.016 20 30 DEEDHN C=CCOCCCC(=O)NC[C@@H]1CN(CC=C(C)C)CCCO1 ZINC001149480632 796857572 /nfs/dbraw/zinc/85/75/72/796857572.db2.gz ANUKZLFVURKKJL-QGZVFWFLSA-N 0 3 324.465 2.143 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(CC2=CCCCC2)CCCO1 ZINC001149638454 796878567 /nfs/dbraw/zinc/87/85/67/796878567.db2.gz GJXJPMQKGOIXHZ-GOSISDBHSA-N 0 3 318.461 2.497 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccoc2CC)C1 ZINC001189926196 796903831 /nfs/dbraw/zinc/90/38/31/796903831.db2.gz MCEHAGAZLFLNIP-CQSZACIVSA-N 0 3 306.406 2.191 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)CCOc2ccccc2)C1 ZINC001189927053 796904991 /nfs/dbraw/zinc/90/49/91/796904991.db2.gz VWFDNXFBPUYQMD-QGZVFWFLSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CN(CCCF)CCCO2)CCC1 ZINC001150265588 796931917 /nfs/dbraw/zinc/93/19/17/796931917.db2.gz BSAYGGUKBILNDE-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001150357801 796936880 /nfs/dbraw/zinc/93/68/80/796936880.db2.gz UAMVACJPKFEGFU-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150411099 796941570 /nfs/dbraw/zinc/94/15/70/796941570.db2.gz UAVMCZONCNMPHA-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001150561475 796954071 /nfs/dbraw/zinc/95/40/71/796954071.db2.gz BJSQQFWMTRUVDP-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(C)(C)C(F)(F)F)C1 ZINC001150619853 796961793 /nfs/dbraw/zinc/96/17/93/796961793.db2.gz FTLFPDCUXUJFMR-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150639352 796964439 /nfs/dbraw/zinc/96/44/39/796964439.db2.gz CFGNNMYXKZCKHQ-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150639360 796964455 /nfs/dbraw/zinc/96/44/55/796964455.db2.gz CFGNNMYXKZCKHQ-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC001150654804 796965591 /nfs/dbraw/zinc/96/55/91/796965591.db2.gz ZSDOGECXVZVCHU-KRWDZBQOSA-N 0 3 320.408 2.151 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001190397158 796992727 /nfs/dbraw/zinc/99/27/27/796992727.db2.gz JCCYBFMVFHSIPV-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2cc(C)no2)CC1 ZINC001150937435 796993131 /nfs/dbraw/zinc/99/31/31/796993131.db2.gz DYNSSYDNKXEBGZ-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC001190371337 796995649 /nfs/dbraw/zinc/99/56/49/796995649.db2.gz RVOYBAXHLWBCNG-QGZVFWFLSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)Cc2ccccc2)CC1 ZINC001151180728 797018817 /nfs/dbraw/zinc/01/88/17/797018817.db2.gz XUARKPVZBKUDGX-UHFFFAOYSA-N 0 3 316.445 2.402 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CC(C)(F)F)CC1 ZINC001151294434 797031193 /nfs/dbraw/zinc/03/11/93/797031193.db2.gz GTAURZNIVWPCBE-UHFFFAOYSA-N 0 3 304.381 2.205 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)[C@@H](CC)CCCCC)C1=O ZINC001151885008 797112904 /nfs/dbraw/zinc/11/29/04/797112904.db2.gz ZXFQHULVKZQJEO-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CSC(C)C)C1 ZINC001191149466 797145805 /nfs/dbraw/zinc/14/58/05/797145805.db2.gz UQSHIDCPIHKKCJ-HUUCEWRRSA-N 0 3 316.511 2.260 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@H]1O ZINC001191714946 797246647 /nfs/dbraw/zinc/24/66/47/797246647.db2.gz NNFMSPXZSPQPJT-USXIJHARSA-N 0 3 302.418 2.184 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@H]1O ZINC001191714945 797246789 /nfs/dbraw/zinc/24/67/89/797246789.db2.gz NNFMSPXZSPQPJT-DJIMGWMZSA-N 0 3 302.418 2.184 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc[nH]c2CCC)C1 ZINC001191889231 797281651 /nfs/dbraw/zinc/28/16/51/797281651.db2.gz CBSVMWQMXGGGOB-HNNXBMFYSA-N 0 3 319.449 2.316 20 30 DEEDHN C=CCCOCC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001153086404 797283210 /nfs/dbraw/zinc/28/32/10/797283210.db2.gz XHRZHDQFMOBNAD-INIZCTEOSA-N 0 3 324.371 2.251 20 30 DEEDHN CC(C)OCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001153449415 797339738 /nfs/dbraw/zinc/33/97/38/797339738.db2.gz BSEWPSLUYODDBF-UHFFFAOYSA-N 0 3 309.435 2.031 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)CCOCC3CC3)C2)C1 ZINC001192256997 797344403 /nfs/dbraw/zinc/34/44/03/797344403.db2.gz LJOLSDWBINCPED-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001192237657 797349009 /nfs/dbraw/zinc/34/90/09/797349009.db2.gz IUQDNCLTHRDKQJ-JZXOWHBKSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OC)cc1C ZINC001153588203 797358611 /nfs/dbraw/zinc/35/86/11/797358611.db2.gz OBBCGJUSRZZEMS-MRXNPFEDSA-N 0 3 316.445 2.396 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(N(C)C)cc1F ZINC001153810422 797401219 /nfs/dbraw/zinc/40/12/19/797401219.db2.gz ZPJWOYPQWKSGAX-CQSZACIVSA-N 0 3 319.424 2.355 20 30 DEEDHN C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001153933422 797425768 /nfs/dbraw/zinc/42/57/68/797425768.db2.gz XCHSGRFASRETFY-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001153933422 797425772 /nfs/dbraw/zinc/42/57/72/797425772.db2.gz XCHSGRFASRETFY-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001154116323 797466441 /nfs/dbraw/zinc/46/64/41/797466441.db2.gz HZPBQXVTYVDRIA-UKRRQHHQSA-N 0 3 304.438 2.236 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001154155229 797474706 /nfs/dbraw/zinc/47/47/06/797474706.db2.gz LDVXKVMPEIMSQA-CQSZACIVSA-N 0 3 312.417 2.335 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cn1c(C)cc2ccccc21 ZINC001154220287 797489402 /nfs/dbraw/zinc/48/94/02/797489402.db2.gz HXMAOJMDPCQSAG-MRXNPFEDSA-N 0 3 311.429 2.410 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccccc1F ZINC001154235423 797493332 /nfs/dbraw/zinc/49/33/32/797493332.db2.gz QKIINHDDSWNIIW-UHFFFAOYSA-N 0 3 315.186 2.444 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001193122357 797507291 /nfs/dbraw/zinc/50/72/91/797507291.db2.gz JCZRCJUUJOGNRB-FVQBIDKESA-N 0 3 320.408 2.264 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001154351560 797520446 /nfs/dbraw/zinc/52/04/46/797520446.db2.gz IGJXTGLRYIYCJL-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2OCCOC)C1 ZINC001194144265 797682799 /nfs/dbraw/zinc/68/27/99/797682799.db2.gz GMFPWZJGJLYMFW-HNNXBMFYSA-N 0 3 318.417 2.044 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001155117978 797687413 /nfs/dbraw/zinc/68/74/13/797687413.db2.gz AXUATAKYNSEMFT-RYRKJORJSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001194408564 797722706 /nfs/dbraw/zinc/72/27/06/797722706.db2.gz KZZHAHNLNVKDMU-IAGOWNOFSA-N 0 3 320.408 2.129 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001194728611 797770085 /nfs/dbraw/zinc/77/00/85/797770085.db2.gz DSAQXKZSTUVTCI-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cnn(C)c2)CC1 ZINC001194777845 797771442 /nfs/dbraw/zinc/77/14/42/797771442.db2.gz LSCUBIAPBYRCIF-UHFFFAOYSA-N 0 3 304.438 2.314 20 30 DEEDHN C=CCOCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001155725277 797835793 /nfs/dbraw/zinc/83/57/93/797835793.db2.gz MMUCDGUVPWRKGK-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cn1cc(C)c2ccccc21 ZINC001155789745 797848535 /nfs/dbraw/zinc/84/85/35/797848535.db2.gz SDTSQNZHDSXCPB-MRXNPFEDSA-N 0 3 311.429 2.410 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC[C@@H]2CCCO2)CC1 ZINC001195175025 797851408 /nfs/dbraw/zinc/85/14/08/797851408.db2.gz YHGCVSAYOWMXSM-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)cc1Cl ZINC001155877791 797872813 /nfs/dbraw/zinc/87/28/13/797872813.db2.gz KCSCJDCLOQSAQJ-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCN(C)c1ccccc1 ZINC001155889877 797875208 /nfs/dbraw/zinc/87/52/08/797875208.db2.gz SHESPXWAOSSGOJ-QGZVFWFLSA-N 0 3 315.461 2.363 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001155985601 797897516 /nfs/dbraw/zinc/89/75/16/797897516.db2.gz OCZRRLYTQHLYSM-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN N#Cc1ccc([N+](=O)[O-])c(N2CCNC[C@@H]2c2cccs2)n1 ZINC001156097263 797925314 /nfs/dbraw/zinc/92/53/14/797925314.db2.gz GMOYDJAOPLWCAL-GFCCVEGCSA-N 0 3 315.358 2.074 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001195805966 797967382 /nfs/dbraw/zinc/96/73/82/797967382.db2.gz ITBIBQRJECROLK-DLBZAZTESA-N 0 3 314.429 2.320 20 30 DEEDHN Cc1cccnc1C(=O)NCCCNCc1ccccc1C#N ZINC001156356053 797982870 /nfs/dbraw/zinc/98/28/70/797982870.db2.gz VAYJTULFXXXUIH-UHFFFAOYSA-N 0 3 308.385 2.171 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001195923738 797983382 /nfs/dbraw/zinc/98/33/82/797983382.db2.gz KNADQQQRHUPVRT-JFIYKMOQSA-N 0 3 308.466 2.496 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001196083289 798002972 /nfs/dbraw/zinc/00/29/72/798002972.db2.gz OBWHPNHZKQHGAQ-HZPDHXFCSA-N 0 3 308.466 2.308 20 30 DEEDHN C[C@@H](C(=O)NCCCNCc1ccccc1C#N)n1cccc1 ZINC001156658008 798055777 /nfs/dbraw/zinc/05/57/77/798055777.db2.gz VVGRNUQGNHEZRF-HNNXBMFYSA-N 0 3 310.401 2.217 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001196475394 798059970 /nfs/dbraw/zinc/05/99/70/798059970.db2.gz SOKGWFUKBJSLPB-NKIGNDQYSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCC2CCCC2)C[C@H]1O ZINC001196482019 798061166 /nfs/dbraw/zinc/06/11/66/798061166.db2.gz JLDLPOJJMZKIRW-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)nc2ccccn21 ZINC001156758022 798077875 /nfs/dbraw/zinc/07/78/75/798077875.db2.gz PGHAQKSEJWTDFD-GFCCVEGCSA-N 0 3 318.808 2.061 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2n[nH]nc2C)CC1 ZINC001196711151 798094295 /nfs/dbraw/zinc/09/42/95/798094295.db2.gz SKIWSEMXUCICMH-UHFFFAOYSA-N 0 3 307.442 2.231 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1cccc(F)c1 ZINC001156857847 798097186 /nfs/dbraw/zinc/09/71/86/798097186.db2.gz FNFNKTGEBGHFGO-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1coc(C)c1 ZINC001157062571 798136764 /nfs/dbraw/zinc/13/67/64/798136764.db2.gz IAZKEKUBHUIHTH-UHFFFAOYSA-N 0 3 301.184 2.206 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=O)c3cccc4c(C#N)c[nH]c43)C[C@@H]21 ZINC001157167844 798153950 /nfs/dbraw/zinc/15/39/50/798153950.db2.gz IQESJVAELPQFAR-WBMJQRKESA-N 0 3 308.385 2.206 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COC1CCC(C)CC1 ZINC001157265128 798173735 /nfs/dbraw/zinc/17/37/35/798173735.db2.gz NVLDVOFPETXZGC-AQFXKWCLSA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccnc1OC(C)C ZINC001157389148 798192816 /nfs/dbraw/zinc/19/28/16/798192816.db2.gz NLWNNNVRIIPQPL-OAHLLOKOSA-N 0 3 317.433 2.332 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001197552057 798205821 /nfs/dbraw/zinc/20/58/21/798205821.db2.gz ZREMBSWMDYQDML-VXGBXAGGSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cn(C)nc2Cl)CC1 ZINC001197786289 798237785 /nfs/dbraw/zinc/23/77/85/798237785.db2.gz GQAPAQHVEXWKQU-UHFFFAOYSA-N 0 3 310.829 2.188 20 30 DEEDHN C=CCC[C@@H](C)N[C@@H](CNC(=O)COC)c1ccccc1OC ZINC001198443383 798340735 /nfs/dbraw/zinc/34/07/35/798340735.db2.gz IYLOOFZFTKDBBD-ZBFHGGJFSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001158155420 798350945 /nfs/dbraw/zinc/35/09/45/798350945.db2.gz TXTPHVDULRUAPV-QGZVFWFLSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001198847685 798403317 /nfs/dbraw/zinc/40/33/17/798403317.db2.gz CAANELSYIABNTL-KBRIMQKVSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c2c(nn1C)CCC2 ZINC001158732208 798460280 /nfs/dbraw/zinc/46/02/80/798460280.db2.gz MGEUIZKWOKVIJQ-CQSZACIVSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001158751034 798462952 /nfs/dbraw/zinc/46/29/52/798462952.db2.gz PYUWUVVMSKMXTQ-GDBMZVCRSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCCCNC(C)=O ZINC001158825024 798474279 /nfs/dbraw/zinc/47/42/79/798474279.db2.gz ISLMHNOOSUJERE-QGZVFWFLSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(N(C)C)ccn1 ZINC001158955575 798494274 /nfs/dbraw/zinc/49/42/74/798494274.db2.gz MDTMYSOUWAOEQE-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CC(C)(C)CO1 ZINC001110538309 798509239 /nfs/dbraw/zinc/50/92/39/798509239.db2.gz WPAYICDADNUMJY-TWMKSMIVSA-N 0 3 318.461 2.182 20 30 DEEDHN Cc1c(Cl)c(Cl)nc(N[C@@H](C)[C@@H]2CNCCO2)c1C#N ZINC001159495225 798571851 /nfs/dbraw/zinc/57/18/51/798571851.db2.gz DDFOMQDZYTYICF-WPRPVWTQSA-N 0 3 315.204 2.357 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cn2ccc(C(F)F)n2)CC1 ZINC001160336833 798676469 /nfs/dbraw/zinc/67/64/69/798676469.db2.gz ARTQKUJPZCIKEJ-UHFFFAOYSA-N 0 3 324.375 2.145 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ncc(C)cc2OC)CC1 ZINC001160374322 798680807 /nfs/dbraw/zinc/68/08/07/798680807.db2.gz MWHKAZQHZMXKEP-UHFFFAOYSA-N 0 3 315.417 2.337 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnc(C3CC3)o2)CC1 ZINC001160386379 798682441 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CCOC(=O)CCN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001209039147 801118808 /nfs/dbraw/zinc/11/88/08/801118808.db2.gz USSBOEGOHIHYGC-INIZCTEOSA-N 0 3 302.374 2.355 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001209145924 801135725 /nfs/dbraw/zinc/13/57/25/801135725.db2.gz JNDKVOIDHPIADQ-RHSMWYFYSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001209169978 801142428 /nfs/dbraw/zinc/14/24/28/801142428.db2.gz OUCGVPXYAKZUJI-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001209185280 801145839 /nfs/dbraw/zinc/14/58/39/801145839.db2.gz VRGFIZQASDJCNS-YOEHRIQHSA-N 0 3 316.449 2.468 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001209194500 801148081 /nfs/dbraw/zinc/14/80/81/801148081.db2.gz OXUSXOHRRRHIMP-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c(C)noc2C)C1 ZINC001209253487 801160304 /nfs/dbraw/zinc/16/03/04/801160304.db2.gz HSQBWQYOHXHMMP-XHBSWPGZSA-N 0 3 305.422 2.093 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001209454708 801194836 /nfs/dbraw/zinc/19/48/36/801194836.db2.gz NLVMBGYIKYKYMJ-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)c2ccco2)CC1 ZINC001229165110 801235890 /nfs/dbraw/zinc/23/58/90/801235890.db2.gz YTEDBWINXIMSJK-AWEZNQCLSA-N 0 3 306.406 2.166 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCC(C)(C)C)C1 ZINC001210254747 801359295 /nfs/dbraw/zinc/35/92/95/801359295.db2.gz PRXDTUNEFKQFNI-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001210356372 801381386 /nfs/dbraw/zinc/38/13/86/801381386.db2.gz LTRKEPANRGVTIG-FRRDWIJNSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)Cn1cccn1 ZINC001230773556 801488357 /nfs/dbraw/zinc/48/83/57/801488357.db2.gz XWIDKSBFQMJZBV-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001210998062 801496520 /nfs/dbraw/zinc/49/65/20/801496520.db2.gz FHMSLRTZROQIEE-SJLPKXTDSA-N 0 3 314.429 2.142 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001211155809 801519688 /nfs/dbraw/zinc/51/96/88/801519688.db2.gz BDWRYIQSLWBGDD-KBAYOESNSA-N 0 3 316.445 2.257 20 30 DEEDHN C#CCCN(CCCNC(=O)C(C)(C)C)Cc1cccnc1 ZINC001230912101 801528368 /nfs/dbraw/zinc/52/83/68/801528368.db2.gz WTJYGKPEZUXEMP-UHFFFAOYSA-N 0 3 301.434 2.459 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2c(C)noc2Cl)C1 ZINC001211418767 801564202 /nfs/dbraw/zinc/56/42/02/801564202.db2.gz VRIYGDAGTDMVBE-ZWNOBZJWSA-N 0 3 311.813 2.192 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccc(C)cc2)[C@H](OC)C1 ZINC001213149658 801578463 /nfs/dbraw/zinc/57/84/63/801578463.db2.gz YZRHFVRGQLQLRC-QZTJIDSGSA-N 0 3 316.445 2.319 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@@H]1CCN1CCc1ccc(C)cc1 ZINC001231232196 801613012 /nfs/dbraw/zinc/61/30/12/801613012.db2.gz 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801878687 /nfs/dbraw/zinc/87/86/87/801878687.db2.gz KYVMKRZOUYRXSQ-KDOFPFPSSA-N 0 3 317.433 2.225 20 30 DEEDHN CN1c2ccccc2[C@@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001232479610 801897370 /nfs/dbraw/zinc/89/73/70/801897370.db2.gz YAQQSXGYCURNMP-IBGZPJMESA-N 0 3 318.380 2.073 20 30 DEEDHN COc1cnc(O[C@@H]2CCN(Cc3ccc(C#N)cc3C)C2)nc1 ZINC001233083399 802022720 /nfs/dbraw/zinc/02/27/20/802022720.db2.gz JBJYJPSIOOYDGV-MRXNPFEDSA-N 0 3 324.384 2.319 20 30 DEEDHN CN(C)c1ccc(CN2CCN3CCCC[C@H]3C2)c(F)c1C#N ZINC001233100336 802026246 /nfs/dbraw/zinc/02/62/46/802026246.db2.gz GCMFZQGTALASKN-HNNXBMFYSA-N 0 3 316.424 2.433 20 30 DEEDHN CN(C)c1ccc(CN2CCC3SC(=O)C=C3C2)c(F)n1 ZINC001233117536 802030391 /nfs/dbraw/zinc/03/03/91/802030391.db2.gz VYRBVXKLXFWNLJ-GFCCVEGCSA-N 0 3 307.394 2.061 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C[C@H](C)OC)[C@H]2C1 ZINC001217503150 802080490 /nfs/dbraw/zinc/08/04/90/802080490.db2.gz ACMGKHIEIHJOGE-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)c3cc[nH]c3)[C@H]2C1 ZINC001217960483 802123888 /nfs/dbraw/zinc/12/38/88/802123888.db2.gz ZHUKTTOILAZWAT-DLBZAZTESA-N 0 3 317.433 2.286 20 30 DEEDHN COc1ccc(CN(C)CCCNC(=O)[C@H]2C[C@@H]2C)cc1C#N ZINC001233488705 802129267 /nfs/dbraw/zinc/12/92/67/802129267.db2.gz DXXDXUKMANDBLA-BBRMVZONSA-N 0 3 315.417 2.161 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)CC(F)F)[C@H]2C1 ZINC001218313163 802166007 /nfs/dbraw/zinc/16/60/07/802166007.db2.gz MSXACQDQRJJNIM-MELADBBJSA-N 0 3 316.392 2.156 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)CC(F)F)[C@H]2C1 ZINC001218325636 802168589 /nfs/dbraw/zinc/16/85/89/802168589.db2.gz MNGGIWRDSNRQTN-MELADBBJSA-N 0 3 316.392 2.156 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCO[C@@H]2CN(CCC(=C)C)C[C@@H]21 ZINC001218518482 802196004 /nfs/dbraw/zinc/19/60/04/802196004.db2.gz WYSCKDDPXZGOIQ-IXDOHACOSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC[C@H]1CCCO1 ZINC001233760374 802200630 /nfs/dbraw/zinc/20/06/30/802200630.db2.gz 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C=CCC[C@H](C)N1CC[C@@H]2CN(C(=O)c3snnc3C)[C@@H]2C1 ZINC001221254634 802543754 /nfs/dbraw/zinc/54/37/54/802543754.db2.gz VQYSPGAIXFRIHC-IACUBPJLSA-N 0 3 320.462 2.348 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]2CN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 ZINC001221449070 802573733 /nfs/dbraw/zinc/57/37/33/802573733.db2.gz VZCJGHDTXGRGAN-RBSFLKMASA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CCC(F)(F)F)[C@@H]2C1 ZINC001221469606 802578160 /nfs/dbraw/zinc/57/81/60/802578160.db2.gz BUPSPZFXDXYNEX-CHWSQXEVSA-N 0 3 320.355 2.064 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CCN(C[C@H]3CCCCO3)C[C@H]21 ZINC001221493022 802582534 /nfs/dbraw/zinc/58/25/34/802582534.db2.gz SNVSOXHFGQMNHR-KZNAEPCWSA-N 0 3 318.461 2.282 20 30 DEEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3n[nH]nc3C)[C@@H]2C1 ZINC001221727893 802607089 /nfs/dbraw/zinc/60/70/89/802607089.db2.gz OHOLECFCXWRQNI-HUUCEWRRSA-N 0 3 319.453 2.230 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CCN(CCOC(C)C)C[C@H]21 ZINC001221752373 802611379 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C#CCCN1CC[C@@H]2CN(C(=O)CC(F)(F)C(F)(F)F)[C@@H]2C1 ZINC001222136338 802648110 /nfs/dbraw/zinc/64/81/10/802648110.db2.gz SQLMWACMDSWYIG-GHMZBOCLSA-N 0 3 324.293 2.130 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)OCCCCCC)CC1 ZINC001223164778 802770094 /nfs/dbraw/zinc/77/00/94/802770094.db2.gz RUSRJZXNTYKPKV-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCCC2CCOCC2)CC1 ZINC001223405022 802787397 /nfs/dbraw/zinc/78/73/97/802787397.db2.gz ORWVCGAVSVSIOF-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001223437145 802790053 /nfs/dbraw/zinc/79/00/53/802790053.db2.gz RJTWTMMYXAGUSS-SJORKVTESA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC(F)(F)C(F)F)C[C@@H]21 ZINC001223521578 802797244 /nfs/dbraw/zinc/79/72/44/802797244.db2.gz CJQZOIHXSFWBIY-NEPJUHHUSA-N 0 3 320.330 2.223 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cn(C)c3ccccc23)CC1 ZINC001224268649 802853559 /nfs/dbraw/zinc/85/35/59/802853559.db2.gz DOKIACSUUYDAGI-UHFFFAOYSA-N 0 3 323.440 2.182 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(CCCCC)n[nH]2)CC1 ZINC001224836575 802908691 /nfs/dbraw/zinc/90/86/91/802908691.db2.gz QNDCIWAWYCUMOH-UHFFFAOYSA-N 0 3 316.449 2.217 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC001224862995 802911973 /nfs/dbraw/zinc/91/19/73/802911973.db2.gz YZQQOGMFDVOTNR-AWEZNQCLSA-N 0 3 302.418 2.461 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(CCOC)CCC2)CC1 ZINC001225270562 802949276 /nfs/dbraw/zinc/94/92/76/802949276.db2.gz FHMVCHHRRFJLQI-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC001225271474 802949571 /nfs/dbraw/zinc/94/95/71/802949571.db2.gz ULCFEFMMNVOEGE-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC001225332968 802956499 /nfs/dbraw/zinc/95/64/99/802956499.db2.gz JAURBVKRMUNCFM-MRXNPFEDSA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCN1CCC(CNC(=O)COC2CCC(C)CC2)CC1 ZINC001225647290 802995806 /nfs/dbraw/zinc/99/58/06/802995806.db2.gz YPIWNTTTWXJPJK-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/41/13/81/1149411381.db2.gz ADTULJNWNGLVIJ-MRXNPFEDSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001334913284 1150354082 /nfs/dbraw/zinc/35/40/82/1150354082.db2.gz HOPSRPJNTCULKW-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCOC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC001334970749 1150361551 /nfs/dbraw/zinc/36/15/51/1150361551.db2.gz BVCFFGVQUJZPBR-MRXNPFEDSA-N 0 3 324.465 2.340 20 30 DEEDHN C#CCN(C(=O)Cn1ccc2ccccc21)C1CCN(C)CC1 ZINC001335317566 1150395719 /nfs/dbraw/zinc/39/57/19/1150395719.db2.gz DQPOMCGCBIJQOR-UHFFFAOYSA-N 0 3 309.413 2.197 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC001343490755 1150746432 /nfs/dbraw/zinc/74/64/32/1150746432.db2.gz OPAOWMPWBJDTDV-HPAJIGNASA-N 0 3 316.357 2.014 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccc(C(=O)OC)cc2C1 ZINC001343571693 1150753445 /nfs/dbraw/zinc/75/34/45/1150753445.db2.gz GLZNVRPGHNCTFH-INIZCTEOSA-N 0 3 316.401 2.042 20 30 DEEDHN COc1ccc(C)cc1CNC1(CNC(=O)[C@H](C)C#N)CCC1 ZINC001368466346 1148456792 /nfs/dbraw/zinc/45/67/92/1148456792.db2.gz RXKQWTAQZWBJQZ-CQSZACIVSA-N 0 3 315.417 2.292 20 30 DEEDHN C[C@@H]1[C@H](NCc2cncs2)CCN1C(=O)C#CC(C)(C)C ZINC001331885992 1149751830 /nfs/dbraw/zinc/75/18/30/1149751830.db2.gz HASMVQRJKIQAGA-TZMCWYRMSA-N 0 3 305.447 2.272 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC2CCOCC2)C1 ZINC001368471725 1148458678 /nfs/dbraw/zinc/45/86/78/1148458678.db2.gz ZLFNMUZKBPJXIV-OKILXGFUSA-N 0 3 300.830 2.040 20 30 DEEDHN Cc1cc([C@@H](N)CC(=O)N2CCC[C@H](C#N)C2)cc(Cl)n1 ZINC001522743454 1069451114 /nfs/dbraw/zinc/45/11/14/1069451114.db2.gz CBYCTBBNBVTXAW-YPMHNXCESA-N 0 3 306.797 2.196 20 30 DEEDHN C=CCCC[C@@H](NC(=O)c1cc2c(s1)CCNC2)C(=O)OC ZINC001522743393 1069451243 /nfs/dbraw/zinc/45/12/43/1069451243.db2.gz BILCLMRJGLFAAB-GFCCVEGCSA-N 0 3 322.430 2.022 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccncc2C)C1 ZINC001368478926 1148461364 /nfs/dbraw/zinc/46/13/64/1148461364.db2.gz 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1069735290 /nfs/dbraw/zinc/73/52/90/1069735290.db2.gz IQXJWPBDVOAXEK-UHFFFAOYSA-N 0 3 311.389 2.253 20 30 DEEDHN C#CC[N@H+](Cc1ccc(-c2nn[n-]n2)c(OC)c1)C1CCCC1 ZINC001602717918 1069735299 /nfs/dbraw/zinc/73/52/99/1069735299.db2.gz IQXJWPBDVOAXEK-UHFFFAOYSA-N 0 3 311.389 2.253 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)CN(C)CCC)C1 ZINC001527368620 1070465011 /nfs/dbraw/zinc/46/50/11/1070465011.db2.gz CGQFMGNYFIYRRA-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN CC(C)CCOCCN(C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC001328720380 1148828338 /nfs/dbraw/zinc/82/83/38/1148828338.db2.gz OGTCVDZCVZEKQL-GOSISDBHSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)CCn1cccn1 ZINC001328737452 1148829678 /nfs/dbraw/zinc/82/96/78/1148829678.db2.gz NOCRVVDHYRDILN-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(CC)cn1 ZINC001328764893 1148833107 /nfs/dbraw/zinc/83/31/07/1148833107.db2.gz GIUVXOAEJAUGBB-KRWDZBQOSA-N 0 3 301.434 2.295 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)COc1ccccc1C ZINC001328785866 1148834876 /nfs/dbraw/zinc/83/48/76/1148834876.db2.gz LDQFFSBDSROWJY-INIZCTEOSA-N 0 3 302.418 2.483 20 30 DEEDHN C#CCCCC(=O)NC1CC(CN[C@@H](C)c2cnc(C)cn2)C1 ZINC001328852654 1148841849 /nfs/dbraw/zinc/84/18/49/1148841849.db2.gz RKWSPOQTIRFGPR-FHERZECASA-N 0 3 314.433 2.134 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)CC4CC4)[C@@H]3C2)c1 ZINC001369123739 1148853467 /nfs/dbraw/zinc/85/34/67/1148853467.db2.gz QWCHOKDUSREDRR-NNZMDNLPSA-N 0 3 309.413 2.152 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)CN(CC)CC ZINC001532599553 1071687227 /nfs/dbraw/zinc/68/72/27/1071687227.db2.gz RJDXBWHCAHIWMW-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2sc(C)nc2C)CC1 ZINC001499990909 1058419057 /nfs/dbraw/zinc/41/90/57/1058419057.db2.gz HPSABJSTOXPCJV-UHFFFAOYSA-N 0 3 319.474 2.296 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1 ZINC001500012475 1058430819 /nfs/dbraw/zinc/43/08/19/1058430819.db2.gz 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CC(C)C#CC(=O)N1CC[C@H](CCN[C@@H](C)c2cnccn2)C1 ZINC001501565379 1059548665 /nfs/dbraw/zinc/54/86/65/1059548665.db2.gz HYFONKJJTBJWEJ-HOTGVXAUSA-N 0 3 314.433 2.025 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](CCNCc2cnns2)C1 ZINC001501608283 1059569138 /nfs/dbraw/zinc/56/91/38/1059569138.db2.gz QFZVGICABAPVOV-CQSZACIVSA-N 0 3 320.462 2.060 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ncccc2OCCC)CCC1 ZINC001501995641 1059849805 /nfs/dbraw/zinc/84/98/05/1059849805.db2.gz AZXARKNGPJUJDA-UHFFFAOYSA-N 0 3 315.417 2.136 20 30 DEEDHN CC#CCNC1(CNC(=O)COc2cccc(C)c2)CCC1 ZINC001502026934 1059882000 /nfs/dbraw/zinc/88/20/00/1059882000.db2.gz YDRSDGCVYOUSGQ-UHFFFAOYSA-N 0 3 300.402 2.026 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001502145040 1059993666 /nfs/dbraw/zinc/99/36/66/1059993666.db2.gz JHORARNMQVRRQD-ZBFHGGJFSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001505391129 1060519200 /nfs/dbraw/zinc/51/92/00/1060519200.db2.gz PDGFQTPGTIPERE-OAHLLOKOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1(F)CCCC1 ZINC001505437714 1060598218 /nfs/dbraw/zinc/59/82/18/1060598218.db2.gz XPHCXBKXZXKWBE-HNNXBMFYSA-N 0 3 312.429 2.394 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C(C)(C)C)nn1C ZINC001505444908 1060607601 /nfs/dbraw/zinc/60/76/01/1060607601.db2.gz KTEJIUWJMVQOLI-CQSZACIVSA-N 0 3 318.465 2.440 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C(C)(C)C(F)F ZINC001505444795 1060609120 /nfs/dbraw/zinc/60/91/20/1060609120.db2.gz IFFXZNLOWCGSBG-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN CCOCCOC1CCN(CCOc2ccccc2C#N)CC1 ZINC001473107161 1060650328 /nfs/dbraw/zinc/65/03/28/1060650328.db2.gz BSJYSWTVGDVOGO-UHFFFAOYSA-N 0 3 318.417 2.455 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc(CC)n2)C1 ZINC001505501704 1060661748 /nfs/dbraw/zinc/66/17/48/1060661748.db2.gz GKKGBVULJNYEFL-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)Cc1ccc(CF)cc1 ZINC001505910265 1061120523 /nfs/dbraw/zinc/12/05/23/1061120523.db2.gz PWGOLIAXGQKOTM-KBXCAEBGSA-N 0 3 322.424 2.420 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001479252307 1061329003 /nfs/dbraw/zinc/32/90/03/1061329003.db2.gz CNAPRPXEDDWRFY-RDJZCZTQSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cn1ncc2ccccc21 ZINC001479255309 1061334369 /nfs/dbraw/zinc/33/43/69/1061334369.db2.gz FEMGWSFRJPNNAX-INIZCTEOSA-N 0 3 312.417 2.145 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNCc1ccn(C)n1 ZINC001479513147 1061483165 /nfs/dbraw/zinc/48/31/65/1061483165.db2.gz SUUWJHRXCSBIKF-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CCN(CC#CC)C[C@H]2C1 ZINC001479669116 1061586660 /nfs/dbraw/zinc/58/66/60/1061586660.db2.gz YLTAPHDVTBYIFJ-ZIFCJYIRSA-N 0 3 318.461 2.019 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@H](NCC(=O)NCC(C)C)C1 ZINC001479686502 1061600092 /nfs/dbraw/zinc/60/00/92/1061600092.db2.gz YVIIFIFMEYRQHV-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N1CCCCC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001479688365 1061602624 /nfs/dbraw/zinc/60/26/24/1061602624.db2.gz QXMLUSCJPWLJSQ-OAHLLOKOSA-N 0 3 319.453 2.330 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@H](C)n2cccc2)[C@H]1C ZINC001479724246 1061644487 /nfs/dbraw/zinc/64/44/87/1061644487.db2.gz CVXFECUGJZHHFP-BBWFWOEESA-N 0 3 319.449 2.221 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001479786886 1061760673 /nfs/dbraw/zinc/76/06/73/1061760673.db2.gz IJHRYUPQCAFAJE-KRWDZBQOSA-N 0 3 314.429 2.241 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cnn(C)c1C ZINC001479818721 1061834633 /nfs/dbraw/zinc/83/46/33/1061834633.db2.gz ANHBYANSLGZLFO-IUODEOHRSA-N 0 3 324.856 2.454 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)N(C)C(C)C ZINC001479820507 1061839106 /nfs/dbraw/zinc/83/91/06/1061839106.db2.gz LEHATFIPKRGEPW-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1c(C)cnn1C ZINC001479828847 1061852918 /nfs/dbraw/zinc/85/29/18/1061852918.db2.gz FTZFJRCIDMPWNL-KGLIPLIRSA-N 0 3 324.856 2.454 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1[nH]cnc1C ZINC001479861829 1061935175 /nfs/dbraw/zinc/93/51/75/1061935175.db2.gz FABBMDXHZFIAAI-UHFFFAOYSA-N 0 3 324.428 2.212 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccnc2ccncc21)C1CC1 ZINC001479872808 1061964485 /nfs/dbraw/zinc/96/44/85/1061964485.db2.gz UNPPIOZEFNEIHG-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H](F)Cc1ccccc1)C1CC1 ZINC001479881308 1061985191 /nfs/dbraw/zinc/98/51/91/1061985191.db2.gz ZOVQJOFQGRWIAQ-KRWDZBQOSA-N 0 3 302.393 2.171 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)CCC(F)(F)F)CC1 ZINC001479918654 1062048292 /nfs/dbraw/zinc/04/82/92/1062048292.db2.gz OHGJFVCXWNXCPV-UHFFFAOYSA-N 0 3 321.387 2.029 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001479940645 1062068585 /nfs/dbraw/zinc/06/85/85/1062068585.db2.gz ZHJANYMPXNEJGI-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN N#CCSCC(=O)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001479945133 1062076020 /nfs/dbraw/zinc/07/60/20/1062076020.db2.gz MZRJAEFBNMPPQK-ZBFHGGJFSA-N 0 3 315.442 2.121 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2ccc(C)nn2)CC1 ZINC001479993284 1062159130 /nfs/dbraw/zinc/15/91/30/1062159130.db2.gz LGZJBQZDOUCZLO-UHFFFAOYSA-N 0 3 302.422 2.288 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)COc2ccc(C)cc2)C1 ZINC001506670701 1062259779 /nfs/dbraw/zinc/25/97/79/1062259779.db2.gz BDWFTVLCVIVAPC-HNNXBMFYSA-N 0 3 302.418 2.386 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C1CC1 ZINC001480095584 1062319220 /nfs/dbraw/zinc/31/92/20/1062319220.db2.gz SCMAZWBTNUKTPR-BBWFWOEESA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCC2 ZINC001480099245 1062324727 /nfs/dbraw/zinc/32/47/27/1062324727.db2.gz VBGNXOKICMSBCH-GASCZTMLSA-N 0 3 314.433 2.084 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001480200183 1062455868 /nfs/dbraw/zinc/45/58/68/1062455868.db2.gz AFFJPRAVERFTBZ-OKILXGFUSA-N 0 3 305.447 2.382 20 30 DEEDHN Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001480203083 1062461041 /nfs/dbraw/zinc/46/10/41/1062461041.db2.gz FIIRLSIXVFCQRY-OKILXGFUSA-N 0 3 303.406 2.078 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001506887531 1062473855 /nfs/dbraw/zinc/47/38/55/1062473855.db2.gz ABCOVSBLKFKVRF-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001480272008 1062574595 /nfs/dbraw/zinc/57/45/95/1062574595.db2.gz NUTIYIUJJXQIAC-DOTOQJQBSA-N 0 3 316.420 2.466 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCC(=O)NC(CC)CC)C1 ZINC001329124883 1148867050 /nfs/dbraw/zinc/86/70/50/1148867050.db2.gz GQVOYUYWPSUBJJ-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)NCc1ccc(C#N)s1 ZINC001507053867 1062745110 /nfs/dbraw/zinc/74/51/10/1062745110.db2.gz ZOLIHGAAQHXNJS-QWHCGFSZSA-N 0 3 321.446 2.125 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)COCC2CCCC2)C1 ZINC001480379609 1062754766 /nfs/dbraw/zinc/75/47/66/1062754766.db2.gz KQOZHCBFMPXDGS-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001480382559 1062759728 /nfs/dbraw/zinc/75/97/28/1062759728.db2.gz KFESHMZBPMLZKT-NEPJUHHUSA-N 0 3 302.340 2.179 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)OCc1ccccc1 ZINC001507101703 1062832395 /nfs/dbraw/zinc/83/23/95/1062832395.db2.gz WUMZNGGBEWTRCI-CVEARBPZSA-N 0 3 302.418 2.052 20 30 DEEDHN CCn1ccc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)n1 ZINC001507128460 1062884902 /nfs/dbraw/zinc/88/49/02/1062884902.db2.gz BXYGQXBGAGWUHO-MRXNPFEDSA-N 0 3 324.428 2.005 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1cccc(C(F)F)c1 ZINC001507153863 1062924168 /nfs/dbraw/zinc/92/41/68/1062924168.db2.gz SLOKVWDIZCFPAM-CYBMUJFWSA-N 0 3 324.371 2.324 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CN(C)C(=O)CN(C)Cc1ccccc1 ZINC001507162228 1062939706 /nfs/dbraw/zinc/93/97/06/1062939706.db2.gz FJIBLGLUFWXWSF-HNNXBMFYSA-N 0 3 323.868 2.307 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cncn2C)[C@H]1C ZINC001507279657 1063023088 /nfs/dbraw/zinc/02/30/88/1063023088.db2.gz AFKZFUIQWGNIHJ-HIFRSBDPSA-N 0 3 304.438 2.101 20 30 DEEDHN C=CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001507283495 1063029513 /nfs/dbraw/zinc/02/95/13/1063029513.db2.gz NAJRUIPESMCPSI-UKRRQHHQSA-N 0 3 318.421 2.121 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2nc(Cl)sc2C)C1 ZINC001507314722 1063083461 /nfs/dbraw/zinc/08/34/61/1063083461.db2.gz FTPJOQKVSOXLMS-ONGXEEELSA-N 0 3 311.838 2.321 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001480599051 1063092570 /nfs/dbraw/zinc/09/25/70/1063092570.db2.gz YVQDCUNLCXBFQL-GJZGRUSLSA-N 0 3 320.408 2.063 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)[C@@H](C)SC)CCC[C@@H]12 ZINC001507341570 1063126728 /nfs/dbraw/zinc/12/67/28/1063126728.db2.gz PHOAFIIKUBHGBR-IIAWOOMASA-N 0 3 312.479 2.054 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCc3nc(C)cs3)CCC[C@@H]12 ZINC001507360625 1063152658 /nfs/dbraw/zinc/15/26/58/1063152658.db2.gz YDVJEQAYTYJMHK-RHSMWYFYSA-N 0 3 317.458 2.131 20 30 DEEDHN CCC1(C(=O)N2C[C@@H](NCC#CCOC)C(C)(C)C2)CCC1 ZINC001507442265 1063290007 /nfs/dbraw/zinc/29/00/07/1063290007.db2.gz CTWGGWIMGBMLCP-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1nocc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001480787404 1063344051 /nfs/dbraw/zinc/34/40/51/1063344051.db2.gz GQDNSLZTEITHRD-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1snnc1C ZINC001480790141 1063347934 /nfs/dbraw/zinc/34/79/34/1063347934.db2.gz MLWJKFAHMJSKMI-XHDPSFHLSA-N 0 3 310.467 2.433 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cccc2nccnc21)C(C)C ZINC001507849979 1063441070 /nfs/dbraw/zinc/44/10/70/1063441070.db2.gz VQRHLYLDGPLLHR-UHFFFAOYSA-N 0 3 324.428 2.436 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccc2nccn2c1)C(C)C ZINC001507854457 1063441608 /nfs/dbraw/zinc/44/16/08/1063441608.db2.gz IZAJHRQDOGKOHC-UHFFFAOYSA-N 0 3 312.417 2.140 20 30 DEEDHN Cc1cccc(OCCN2CCC[C@H]2CNC(=O)[C@@H](C)C#N)c1 ZINC001493085681 1063550221 /nfs/dbraw/zinc/55/02/21/1063550221.db2.gz IQCVACXZMKYKKS-HOTGVXAUSA-N 0 3 315.417 2.114 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](CCC)OC)CC2)CC1 ZINC001508162438 1063586611 /nfs/dbraw/zinc/58/66/11/1063586611.db2.gz XBKUXXVKYXBDAZ-MRXNPFEDSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCCN1CCC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001493167864 1063614387 /nfs/dbraw/zinc/61/43/87/1063614387.db2.gz LYCXKSLFZMEEDQ-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001493231425 1063656271 /nfs/dbraw/zinc/65/62/71/1063656271.db2.gz WGCNTAHRXFCGAO-HNNXBMFYSA-N 0 3 309.413 2.090 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@]12CCO[C@@H]1CCCC2)C1CC1 ZINC001493390921 1063764370 /nfs/dbraw/zinc/76/43/70/1063764370.db2.gz GLGGXWLCHNMQGH-AEFFLSMTSA-N 0 3 306.450 2.492 20 30 DEEDHN Cc1occc1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001493472686 1063815305 /nfs/dbraw/zinc/81/53/05/1063815305.db2.gz JNFAJEIULILMAI-UHFFFAOYSA-N 0 3 315.348 2.461 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCNCC(=O)NC1CCCCC1 ZINC001493709132 1063929105 /nfs/dbraw/zinc/92/91/05/1063929105.db2.gz OIDIZGNWVZBPPO-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC1(C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C)CCCCC1 ZINC001493800032 1063966940 /nfs/dbraw/zinc/96/69/40/1063966940.db2.gz BCUUAVRFFZYAAU-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@H](C(=O)N(C)CCNCC#CCOC)c1ccc(F)cc1 ZINC001493808578 1063971117 /nfs/dbraw/zinc/97/11/17/1063971117.db2.gz BGOQQUAFPBHGRD-KRWDZBQOSA-N 0 3 320.408 2.017 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cc(OC)ccn1)c1ccccc1 ZINC001493894295 1064014182 /nfs/dbraw/zinc/01/41/82/1064014182.db2.gz ZLSPKSDDLSCIIC-GOSISDBHSA-N 0 3 323.396 2.174 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](OCC)C1CC1 ZINC001493914348 1064021400 /nfs/dbraw/zinc/02/14/00/1064021400.db2.gz ZCHIEGFFLVQRMP-FGTMMUONSA-N 0 3 318.461 2.280 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001327276524 1148511301 /nfs/dbraw/zinc/51/13/01/1148511301.db2.gz CTLUDZVQBBLAJH-UHFFFAOYSA-N 0 3 301.434 2.311 20 30 DEEDHN N#Cc1cc(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)c[nH]1 ZINC001494009192 1064079299 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ZINC001494298213 1064203238 /nfs/dbraw/zinc/20/32/38/1064203238.db2.gz DDJVGVNMYABPEK-MSOLQXFVSA-N 0 3 315.461 2.446 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001567546338 1064245161 /nfs/dbraw/zinc/24/51/61/1064245161.db2.gz CDWBYXGMVWFASF-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001567546340 1064245288 /nfs/dbraw/zinc/24/52/88/1064245288.db2.gz CDWBYXGMVWFASF-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)N(C/C=C/Cl)CCCNC(=O)c1ccc(C#N)[nH]1 ZINC001567639769 1064301427 /nfs/dbraw/zinc/30/14/27/1064301427.db2.gz ILKVCUXXECJOCM-XVNBXDOJSA-N 0 3 308.813 2.469 20 30 DEEDHN COCCN[C@H](CNC(=O)[C@@H](C)C#N)c1ccc(C(C)C)cc1 ZINC001567653719 1064319206 /nfs/dbraw/zinc/31/92/06/1064319206.db2.gz BHQHVTRXWBLLQC-WMLDXEAASA-N 0 3 317.433 2.363 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](OC)C1CCC1 ZINC001567668270 1064331085 /nfs/dbraw/zinc/33/10/85/1064331085.db2.gz STVWDIZBXRZSKM-IXDOHACOSA-N 0 3 306.450 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C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1OCC ZINC001570026046 1065890082 /nfs/dbraw/zinc/89/00/82/1065890082.db2.gz VBEBRAVSDKLAJM-QZTJIDSGSA-N 0 3 314.429 2.183 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1OCC ZINC001570026048 1065890193 /nfs/dbraw/zinc/89/01/93/1065890193.db2.gz VBEBRAVSDKLAJM-ZWKOTPCHSA-N 0 3 314.429 2.183 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001570029884 1065891083 /nfs/dbraw/zinc/89/10/83/1065891083.db2.gz JZRJUBXWKDEHDH-ZDUSSCGKSA-N 0 3 306.369 2.100 20 30 DEEDHN CC(C)[C@@H](C(=O)NCc1ccc([C@@H](C)NCC#N)cc1)N(C)C ZINC001570033352 1065893985 /nfs/dbraw/zinc/89/39/85/1065893985.db2.gz RJVHKQGEXDEXDR-PBHICJAKSA-N 0 3 316.449 2.063 20 30 DEEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)CC1CC1 ZINC001497131004 1065905649 /nfs/dbraw/zinc/90/56/49/1065905649.db2.gz ZUXKTOAFRMOZLG-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H]2CCO[C@H](CCC)C2)CCC1 ZINC001570122257 1065932706 /nfs/dbraw/zinc/93/27/06/1065932706.db2.gz GGUMBCQEHDMRLO-JKSUJKDBSA-N 0 3 306.450 2.234 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H](CNCc2cncc(C)c2)C1 ZINC001570141575 1065940735 /nfs/dbraw/zinc/94/07/35/1065940735.db2.gz XCKFBEYFMHPKQJ-QGZVFWFLSA-N 0 3 317.433 2.063 20 30 DEEDHN CCc1nocc1CNCC[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001497184983 1065949196 /nfs/dbraw/zinc/94/91/96/1065949196.db2.gz CULCMBLQLZZSNG-CYBMUJFWSA-N 0 3 305.422 2.271 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001570186016 1065964114 /nfs/dbraw/zinc/96/41/14/1065964114.db2.gz WXOMWVUANMLUMR-IRXDYDNUSA-N 0 3 318.461 2.187 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2cccnn21 ZINC001497287885 1066007891 /nfs/dbraw/zinc/00/78/91/1066007891.db2.gz XBMFUEZAFFATDD-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H](NCc2cncc(F)c2)[C@@H](C)C1 ZINC001570337097 1066018947 /nfs/dbraw/zinc/01/89/47/1066018947.db2.gz QRKVWAHINXHSQD-YOEHRIQHSA-N 0 3 317.408 2.351 20 30 DEEDHN CCN(CCNCc1ccc(OC)c(C#N)c1)C(=O)[C@H]1C[C@H]1C ZINC001497349161 1066040989 /nfs/dbraw/zinc/04/09/89/1066040989.db2.gz XWOGOIBUNZQOQM-CJNGLKHVSA-N 0 3 315.417 2.161 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(COCC)CC2)C(C)(C)C1 ZINC001570395559 1066051658 /nfs/dbraw/zinc/05/16/58/1066051658.db2.gz LTYKSDJQJVXGGA-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCCC(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001497377760 1066059990 /nfs/dbraw/zinc/05/99/90/1066059990.db2.gz QGQSNHJSXVHJAK-UHFFFAOYSA-N 0 3 303.431 2.361 20 30 DEEDHN CS[C@@H](C)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001497533878 1066130183 /nfs/dbraw/zinc/13/01/83/1066130183.db2.gz IEZLYJSYOQNDQM-SCOBNMCVSA-N 0 3 303.431 2.072 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cccc(-c2cnco2)c1 ZINC001497713805 1066258765 /nfs/dbraw/zinc/25/87/65/1066258765.db2.gz SPZZGEQGVTYFCM-SNAWJCMRSA-N 0 3 309.369 2.241 20 30 DEEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccccc1[N+](=O)[O-] ZINC001575369657 1066279764 /nfs/dbraw/zinc/27/97/64/1066279764.db2.gz OTCAVVQPJYPUNV-CYBMUJFWSA-N 0 3 318.377 2.357 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1(CF)CCC1 ZINC001497916904 1066411991 /nfs/dbraw/zinc/41/19/91/1066411991.db2.gz MSOMIOKULYLKQC-OAHLLOKOSA-N 0 3 302.393 2.272 20 30 DEEDHN CS[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001498015712 1066459586 /nfs/dbraw/zinc/45/95/86/1066459586.db2.gz MABWXUPOTBHMEH-WDEREUQCSA-N 0 3 309.410 2.043 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H](C)C1CC1 ZINC001498028355 1066467686 /nfs/dbraw/zinc/46/76/86/1066467686.db2.gz XKWWYZQFZRULAJ-KBPBESRZSA-N 0 3 302.393 2.318 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1snnc1C(C)C ZINC001498630137 1066812177 /nfs/dbraw/zinc/81/21/77/1066812177.db2.gz LBFNNROAZPXMKN-UHFFFAOYSA-N 0 3 316.858 2.466 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC001577429887 1066839693 /nfs/dbraw/zinc/83/96/93/1066839693.db2.gz AHLCJJFPQDHSPY-JYJNAYRXSA-N 0 3 323.481 2.334 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cnns2)[C@@H](CC)C1 ZINC001498880880 1066937782 /nfs/dbraw/zinc/93/77/82/1066937782.db2.gz GTSCWSOVXOYTTN-JSGCOSHPSA-N 0 3 308.451 2.221 20 30 DEEDHN Cc1ccncc1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001499188907 1067135237 /nfs/dbraw/zinc/13/52/37/1067135237.db2.gz FZGXSUCALVPINN-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCc2ccc(F)cc2C)CC1 ZINC001499212339 1067143899 /nfs/dbraw/zinc/14/38/99/1067143899.db2.gz MLGJHNWDTWCJED-KRWDZBQOSA-N 0 3 320.408 2.200 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3CC3(F)F)CC2)cc1F ZINC001499217575 1067145604 /nfs/dbraw/zinc/14/56/04/1067145604.db2.gz YXUOBEPJBSVAOW-GFCCVEGCSA-N 0 3 323.318 2.091 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cccc3n[n-]nc32)CC1 ZINC001499237176 1067151074 /nfs/dbraw/zinc/15/10/74/1067151074.db2.gz SYPZOQVYGBPMHH-LBPRGKRZSA-N 0 3 313.405 2.165 20 30 DEEDHN CCc1cc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)no1 ZINC001499419119 1067215054 /nfs/dbraw/zinc/21/50/54/1067215054.db2.gz OUTMPWCWZUPAJI-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001579032893 1067223800 /nfs/dbraw/zinc/22/38/00/1067223800.db2.gz BCKAZTPJKXKEQH-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN CCc1sc(C(=O)N2CC[C@H](NCC#CCOC)C2)cc1C ZINC001267025844 1078513010 /nfs/dbraw/zinc/51/30/10/1078513010.db2.gz SNYRTPNHBJDBBV-AWEZNQCLSA-N 0 3 320.458 2.073 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001483424874 1078525153 /nfs/dbraw/zinc/52/51/53/1078525153.db2.gz WJQSZRNGLYLTCH-NSHDSACASA-N 0 3 307.369 2.020 20 30 DEEDHN Cc1nc2c(s1)[C@@H](NC(=O)[C@H](N)CCCCC#N)CCC2 ZINC001579867790 1067441889 /nfs/dbraw/zinc/44/18/89/1067441889.db2.gz CVSIKWICZPVTMI-YPMHNXCESA-N 0 3 306.435 2.356 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@]1(c2ccccc2)CCCO1 ZINC001580050574 1067481642 /nfs/dbraw/zinc/48/16/42/1067481642.db2.gz FSVMZTQFHCWPOQ-AEFFLSMTSA-N 0 3 315.417 2.220 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC001580050764 1067483222 /nfs/dbraw/zinc/48/32/22/1067483222.db2.gz KMBAVSKLWTWPMQ-CQSZACIVSA-N 0 3 311.389 2.182 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001580245977 1067537720 /nfs/dbraw/zinc/53/77/20/1067537720.db2.gz KBLSTFANFZTZSD-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(C)n(C)n2)[C@H](CC)C1 ZINC001483612721 1078626424 /nfs/dbraw/zinc/62/64/24/1078626424.db2.gz NIAMROPNXWIKHF-WBVHZDCISA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)CC(C)(C)C ZINC001267160229 1078623253 /nfs/dbraw/zinc/62/32/53/1078623253.db2.gz DDNOXDRCGCYOFV-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](c1ccccc1)N(C)C ZINC001640015723 1078637862 /nfs/dbraw/zinc/63/78/62/1078637862.db2.gz HRAGKLAGCSUNFY-KRWDZBQOSA-N 0 3 303.450 2.256 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC1CCCCCC1 ZINC001570594306 1068028274 /nfs/dbraw/zinc/02/82/74/1068028274.db2.gz ZOKSBTAQBLQDIZ-GJZGRUSLSA-N 0 3 323.481 2.274 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712933 1068089524 /nfs/dbraw/zinc/08/95/24/1068089524.db2.gz VLTFOHBHAHQIDF-QWHCGFSZSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712933 1068089536 /nfs/dbraw/zinc/08/95/36/1068089536.db2.gz VLTFOHBHAHQIDF-QWHCGFSZSA-N 0 3 315.421 2.363 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2c(C)noc2Cl)C1 ZINC001570855374 1068141516 /nfs/dbraw/zinc/14/15/16/1068141516.db2.gz AKQRNMJAASBREF-JTQLQIEISA-N 0 3 311.813 2.192 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@]2(C1)CN(C[C@@H](C)CC)CCO2 ZINC001570884557 1068148104 /nfs/dbraw/zinc/14/81/04/1068148104.db2.gz MWTNKHVCFMMYFX-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C/c2ccc[nH]2)C(C)(C)C1 ZINC001570894837 1068152732 /nfs/dbraw/zinc/15/27/32/1068152732.db2.gz KCAOCZTUMXVSKX-WAVCKPEOSA-N 0 3 317.433 2.057 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCNCc1cc(F)ccc1F ZINC001571237570 1068198636 /nfs/dbraw/zinc/19/86/36/1068198636.db2.gz WLQOCDMCSYFHMI-NEPJUHHUSA-N 0 3 309.360 2.499 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(CC)n(C)n1 ZINC001571326751 1068222950 /nfs/dbraw/zinc/22/29/50/1068222950.db2.gz AGDHBDIGGUAMOK-LBPRGKRZSA-N 0 3 312.845 2.223 20 30 DEEDHN Cc1ccc(C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)cn1 ZINC001571377032 1068258273 /nfs/dbraw/zinc/25/82/73/1068258273.db2.gz DKTXOPUAHLMNGQ-QGZVFWFLSA-N 0 3 321.424 2.492 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)NCc1c(C)cccc1C ZINC001571431622 1068290732 /nfs/dbraw/zinc/29/07/32/1068290732.db2.gz ZCMLONDLIHLVHO-MRXNPFEDSA-N 0 3 304.434 2.226 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2ccccn2)[C@H]1C ZINC001571454484 1068300762 /nfs/dbraw/zinc/30/07/62/1068300762.db2.gz VUYOBPZWDQZGRP-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2ccsc2)C[C@@H]1C ZINC001571496062 1068354846 /nfs/dbraw/zinc/35/48/46/1068354846.db2.gz YYBRDGJTTSKYCA-DZGCQCFKSA-N 0 3 308.447 2.420 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001409839896 1078697758 /nfs/dbraw/zinc/69/77/58/1078697758.db2.gz KLSKEZCJCKWUHD-QWHCGFSZSA-N 0 3 310.401 2.264 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNCc2cnns2)C1 ZINC001484369639 1079567720 /nfs/dbraw/zinc/56/77/20/1079567720.db2.gz QBSZVQXGWOCMLR-QWHCGFSZSA-N 0 3 322.478 2.325 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001571607323 1068436632 /nfs/dbraw/zinc/43/66/32/1068436632.db2.gz HWCSKRRNTQJFJQ-QGZVFWFLSA-N 0 3 318.461 2.210 20 30 DEEDHN C#CCCN(C)CCN(C(=O)COc1ccccc1F)C(C)C ZINC001571616163 1068441314 /nfs/dbraw/zinc/44/13/14/1068441314.db2.gz SVHPXVYEKBHTDL-UHFFFAOYSA-N 0 3 320.408 2.397 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](OCC)C(C)C)CC1 ZINC001571643522 1068455361 /nfs/dbraw/zinc/45/53/61/1068455361.db2.gz HNQLPDNFHQSMHM-WBVHZDCISA-N 0 3 308.466 2.288 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC001571655068 1068462888 /nfs/dbraw/zinc/46/28/88/1068462888.db2.gz XMRAGIJSRDDMJI-IUDNXUCKSA-N 0 3 321.421 2.043 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)C[C@@H]3CCCOC3)CC2)CC1 ZINC001571670472 1068471152 /nfs/dbraw/zinc/47/11/52/1068471152.db2.gz NRZJYVGVJULDIW-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)C(=O)[C@H]1CCCN1C ZINC001512416140 1068553957 /nfs/dbraw/zinc/55/39/57/1068553957.db2.gz KOMIYCHDTMKLMH-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001571861843 1068557114 /nfs/dbraw/zinc/55/71/14/1068557114.db2.gz FZJJVPFNKLIYKE-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001483645785 1078739733 /nfs/dbraw/zinc/73/97/33/1078739733.db2.gz PXYWUKQOUCPHDM-SJLPKXTDSA-N 0 3 308.466 2.474 20 30 DEEDHN COc1cccc(CN2CC([C@H](C)NC(=O)[C@@H](C)C#N)C2)c1C ZINC001409863854 1078754739 /nfs/dbraw/zinc/75/47/39/1078754739.db2.gz ZBLKGFGGTVVSFY-JSGCOSHPSA-N 0 3 315.417 2.100 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc(C)nc1C(C)C ZINC001267317555 1078761005 /nfs/dbraw/zinc/76/10/05/1078761005.db2.gz DTGACNSEMZQNRP-UHFFFAOYSA-N 0 3 316.449 2.374 20 30 DEEDHN N#CCSCC(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001267322202 1078764199 /nfs/dbraw/zinc/76/41/99/1078764199.db2.gz VJIFTKYMECEBOV-UHFFFAOYSA-N 0 3 303.431 2.024 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C[C@@H](C)n1ccc(C)n1 ZINC001483670044 1078768993 /nfs/dbraw/zinc/76/89/93/1078768993.db2.gz IUGFIYWHFOCXBN-HZPDHXFCSA-N 0 3 304.438 2.299 20 30 DEEDHN C=C(C)CN(CCNC(=O)C1CC2(C1)CCOCC2)C1CC1 ZINC001267336779 1078774033 /nfs/dbraw/zinc/77/40/33/1078774033.db2.gz XBABLRDGAOPOKI-UHFFFAOYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)C(=O)CN(C)C1CCC1 ZINC001572677607 1068877952 /nfs/dbraw/zinc/87/79/52/1068877952.db2.gz RAFBKDBVDHJGJG-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc2c(c1)COC2 ZINC001483697183 1078817144 /nfs/dbraw/zinc/81/71/44/1078817144.db2.gz QQVMBQGMDMIPBS-KRWDZBQOSA-N 0 3 300.402 2.026 20 30 DEEDHN CC(C)(C)[C@H](N)C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001573458360 1069004514 /nfs/dbraw/zinc/00/45/14/1069004514.db2.gz SDBOYSCHZBCPLY-LLVKDONJSA-N 0 3 310.741 2.432 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001573518529 1069028153 /nfs/dbraw/zinc/02/81/53/1069028153.db2.gz BHOSRLWWWWPAHW-XHSDSOJGSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001483721879 1078871961 /nfs/dbraw/zinc/87/19/61/1078871961.db2.gz MEOPGZYIEJPPEG-ZDUSSCGKSA-N 0 3 306.381 2.328 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC001574857600 1069279871 /nfs/dbraw/zinc/27/98/71/1069279871.db2.gz WKKIXMGDLZOLBR-ZWNOBZJWSA-N 0 3 312.797 2.351 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001574908085 1069294441 /nfs/dbraw/zinc/29/44/41/1069294441.db2.gz CNQGWIMYUXCQCJ-LLVKDONJSA-N 0 3 312.316 2.308 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC001522046305 1069297994 /nfs/dbraw/zinc/29/79/94/1069297994.db2.gz VODYRYPSJDXKJB-IRXDYDNUSA-N 0 3 301.434 2.407 20 30 DEEDHN CCN(CCNC(=O)C(=O)/C=C\c1ccc(F)cc1)C1CC1 ZINC001542802064 1072466158 /nfs/dbraw/zinc/46/61/58/1072466158.db2.gz ITJDKGURYRDXHD-YHYXMXQVSA-N 0 3 304.365 2.009 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001483734347 1078919355 /nfs/dbraw/zinc/91/93/55/1078919355.db2.gz WNECVARTGZEHBC-ZDUSSCGKSA-N 0 3 320.820 2.117 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C(=O)C(C)(C)C)c1ccccc1 ZINC001267517884 1078947291 /nfs/dbraw/zinc/94/72/91/1078947291.db2.gz UUJFDMTYOYDCBR-OAHLLOKOSA-N 0 3 300.402 2.072 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCc2ccnn2C)C1 ZINC001267541477 1078971288 /nfs/dbraw/zinc/97/12/88/1078971288.db2.gz BSBILNUXLQWBHW-QGZVFWFLSA-N 0 3 318.465 2.242 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001267560315 1078992191 /nfs/dbraw/zinc/99/21/91/1078992191.db2.gz FPOHTAOOQYFTSM-KRWDZBQOSA-N 0 3 306.450 2.211 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2ccc(C(F)F)cc2)CC1 ZINC001670872685 1078994013 /nfs/dbraw/zinc/99/40/13/1078994013.db2.gz YCKXIJDRQXOTBW-UHFFFAOYSA-N 0 3 322.355 2.126 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)CSC)Cc1ccc(C#N)cc1 ZINC001480964549 1079008495 /nfs/dbraw/zinc/00/84/95/1079008495.db2.gz BMMHYBNSUKNXTR-AWEZNQCLSA-N 0 3 319.474 2.495 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1coc(-c2ccccc2)n1 ZINC001646113637 1079107328 /nfs/dbraw/zinc/10/73/28/1079107328.db2.gz AFAYPWGUUUOSHZ-CQSZACIVSA-N 0 3 319.792 2.470 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001483818118 1079131912 /nfs/dbraw/zinc/13/19/12/1079131912.db2.gz ICNJBWUYLMMWEM-LZYBPNLTSA-N 0 3 306.450 2.305 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)CCCOC)C2)C1 ZINC001483832891 1079142277 /nfs/dbraw/zinc/14/22/77/1079142277.db2.gz PIIAWJOBTZLJKC-MJGOQNOKSA-N 0 3 320.477 2.387 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001481102140 1079184533 /nfs/dbraw/zinc/18/45/33/1079184533.db2.gz SRQOLVMWVQOTDH-QGZVFWFLSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)OCCC=C)C2 ZINC001484019328 1079246066 /nfs/dbraw/zinc/24/60/66/1079246066.db2.gz ANZGLLZCMKVLEO-HKUYNNGSSA-N 0 3 318.461 2.305 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(OC)cc(OC)c1 ZINC001481152397 1079260229 /nfs/dbraw/zinc/26/02/29/1079260229.db2.gz OZAYRTXXDZZLIY-UHFFFAOYSA-N 0 3 318.417 2.169 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@@]1(C)CCOc2ccccc21 ZINC001481151802 1079260452 /nfs/dbraw/zinc/26/04/52/1079260452.db2.gz SJXUDLRNWFMJEW-IBGZPJMESA-N 0 3 314.429 2.188 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(CCc2ccnn2C)C1 ZINC001484045305 1079265020 /nfs/dbraw/zinc/26/50/20/1079265020.db2.gz PTMDPWSLILVVOG-GOSISDBHSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNCc2ccn(C)n2)C1 ZINC001484097242 1079302004 /nfs/dbraw/zinc/30/20/04/1079302004.db2.gz UFVABZISXJQHDH-QGZVFWFLSA-N 0 3 304.438 2.105 20 30 DEEDHN CN1C(=O)CCC[C@@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001646881416 1074668781 /nfs/dbraw/zinc/66/87/81/1074668781.db2.gz ZERUGYSMKGCQOB-ZYHUDNBSSA-N 0 3 303.387 2.208 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CCC[C@H](C)O)C2)cc1 ZINC001267629043 1079306676 /nfs/dbraw/zinc/30/66/76/1079306676.db2.gz KPKYFXLTOZFUAO-YJBOKZPZSA-N 0 3 314.429 2.023 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(Cc2ccccc2)C2CC2)nc1 ZINC001481194161 1079321519 /nfs/dbraw/zinc/32/15/19/1079321519.db2.gz UWKSTXSRCRUUAX-UHFFFAOYSA-N 0 3 319.408 2.457 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC001484151709 1079332664 /nfs/dbraw/zinc/33/26/64/1079332664.db2.gz CUUGZRVCICIFOM-BEFAXECRSA-N 0 3 324.428 2.436 20 30 DEEDHN Cn1c(N2CCN(C3CCCCC3)CC2)nnc1C(C)(C)C#N ZINC001647662108 1074965568 /nfs/dbraw/zinc/96/55/68/1074965568.db2.gz FVGIJVUBSJCOKJ-UHFFFAOYSA-N 0 3 316.453 2.071 20 30 DEEDHN CC[C@H](F)CNC1(CNC(=O)C#CC(C)(C)C)CCOCC1 ZINC001484181933 1079345756 /nfs/dbraw/zinc/34/57/56/1079345756.db2.gz MGSSWGKCPXODQR-AWEZNQCLSA-N 0 3 312.429 2.039 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@@]1(C)Br ZINC001556466966 1075032502 /nfs/dbraw/zinc/03/25/02/1075032502.db2.gz ULCUBPGLUKUUAR-WCQYABFASA-N 0 3 303.244 2.126 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COCc1ccccc1C ZINC001556466789 1075032591 /nfs/dbraw/zinc/03/25/91/1075032591.db2.gz MYDIHTGWQFJGDR-UHFFFAOYSA-N 0 3 304.434 2.478 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001565872323 1075061051 /nfs/dbraw/zinc/06/10/51/1075061051.db2.gz KZWYKAUSOZRGSC-LSCFUAHRSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2nc(C3CC3)cs2)CC1 ZINC001565628441 1075183591 /nfs/dbraw/zinc/18/35/91/1075183591.db2.gz SOFHYBZRBYOVFY-UHFFFAOYSA-N 0 3 305.447 2.330 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cn1nc(C)c(Cl)c1C ZINC001565833227 1075193663 /nfs/dbraw/zinc/19/36/63/1075193663.db2.gz LOUCSRCYLKLXEY-CQSZACIVSA-N 0 3 324.856 2.262 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001565837748 1075194298 /nfs/dbraw/zinc/19/42/98/1075194298.db2.gz NXDUFASDWWBOQL-OIISXLGYSA-N 0 3 316.470 2.274 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001565850424 1075196840 /nfs/dbraw/zinc/19/68/40/1075196840.db2.gz KZWYKAUSOZRGSC-CVGURMSBSA-N 0 3 319.453 2.261 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001565913282 1075205424 /nfs/dbraw/zinc/20/54/24/1075205424.db2.gz BDDUIEUQAAFUST-MUGHPLOMSA-N 0 3 318.392 2.207 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC001566035859 1075219719 /nfs/dbraw/zinc/21/97/19/1075219719.db2.gz RNSHQTWTMWMPMJ-ZDUSSCGKSA-N 0 3 324.371 2.050 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)CCCC(C)C)C[C@@H]2C1 ZINC001566050010 1075221253 /nfs/dbraw/zinc/22/12/53/1075221253.db2.gz YYOKBXYSZHFNQR-MSOLQXFVSA-N 0 3 320.477 2.243 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001566766418 1075338546 /nfs/dbraw/zinc/33/85/46/1075338546.db2.gz QKOKHLJSDUHTMM-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001566773184 1075340606 /nfs/dbraw/zinc/34/06/06/1075340606.db2.gz COCBGSDWDAQUGX-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001566799436 1075347643 /nfs/dbraw/zinc/34/76/43/1075347643.db2.gz KGXATGXGZCGRFF-WKILWMFISA-N 0 3 314.433 2.106 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001566805799 1075349705 /nfs/dbraw/zinc/34/97/05/1075349705.db2.gz YVCFDXZPSIIGTB-JOCQHMNTSA-N 0 3 317.437 2.021 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CN[C@H](C)c2cnccn2)C1 ZINC001566892451 1075375507 /nfs/dbraw/zinc/37/55/07/1075375507.db2.gz NMZBWBNNMYMPPU-CVEARBPZSA-N 0 3 314.433 2.169 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001566925149 1075388578 /nfs/dbraw/zinc/38/85/78/1075388578.db2.gz BKFRGPWMWZSALV-QGZVFWFLSA-N 0 3 311.429 2.107 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCn1cc(C)cn1 ZINC001566929739 1075390548 /nfs/dbraw/zinc/39/05/48/1075390548.db2.gz IAXDUYPKTRUDML-MRXNPFEDSA-N 0 3 304.438 2.128 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCCc1nc(C)no1 ZINC001566929810 1075391137 /nfs/dbraw/zinc/39/11/37/1075391137.db2.gz JOBAHUQEZCXGSW-OAHLLOKOSA-N 0 3 320.437 2.248 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2(C)CC2)C1 ZINC001566962920 1075402227 /nfs/dbraw/zinc/40/22/27/1075402227.db2.gz NMJSBNUGQIFEJL-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN CCCC1(C(=O)N[C@@H](C)[C@@H]2CCCN(CC#CCOC)C2)CC1 ZINC001566966658 1075402804 /nfs/dbraw/zinc/40/28/04/1075402804.db2.gz YCKPEDMBAIROPZ-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cn(C)nc2C)C1 ZINC001567096802 1075431346 /nfs/dbraw/zinc/43/13/46/1075431346.db2.gz SLCURSMNWKXLHP-HNNXBMFYSA-N 0 3 304.438 2.021 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCc2cncs2)C1 ZINC001567198574 1075462183 /nfs/dbraw/zinc/46/21/83/1075462183.db2.gz KMYKITUCKYSLLM-CQSZACIVSA-N 0 3 305.447 2.022 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001567279334 1075486769 /nfs/dbraw/zinc/48/67/69/1075486769.db2.gz ROXSAMVVZTWUSY-SFHVURJKSA-N 0 3 304.434 2.179 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001267734724 1079426234 /nfs/dbraw/zinc/42/62/34/1079426234.db2.gz WBNXAOLDCDZERF-INIZCTEOSA-N 0 3 315.417 2.090 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001267740612 1079435513 /nfs/dbraw/zinc/43/55/13/1079435513.db2.gz MTAYKLJWRKTQER-IEBWSBKVSA-N 0 3 316.445 2.321 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001481225454 1079436715 /nfs/dbraw/zinc/43/67/15/1079436715.db2.gz PFYXCHUPVRCWMN-KBPBESRZSA-N 0 3 307.344 2.007 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001267744296 1079443373 /nfs/dbraw/zinc/44/33/73/1079443373.db2.gz MPJGWZHQGAOUAV-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)Cc2ccsc2)C1 ZINC001267755938 1079457252 /nfs/dbraw/zinc/45/72/52/1079457252.db2.gz VGLMQLRHUQBWRA-HNNXBMFYSA-N 0 3 308.447 2.026 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(C(F)(F)F)CCC2)C1 ZINC001267767708 1079472080 /nfs/dbraw/zinc/47/20/80/1079472080.db2.gz QUCPDEUMFWPZQW-LBPRGKRZSA-N 0 3 302.340 2.275 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)COCc2cccnc2)C1 ZINC001267791289 1079499100 /nfs/dbraw/zinc/49/91/00/1079499100.db2.gz XHJXXCOMDMJTOP-KRWDZBQOSA-N 0 3 317.433 2.097 20 30 DEEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)cnc2Cl)CC1 ZINC001588364892 1076443488 /nfs/dbraw/zinc/44/34/88/1076443488.db2.gz KXRBDBUILUKPMN-MJHDQNEOSA-N 0 3 316.796 2.197 20 30 DEEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)cnc2Cl)CC1 ZINC001588364892 1076443492 /nfs/dbraw/zinc/44/34/92/1076443492.db2.gz KXRBDBUILUKPMN-MJHDQNEOSA-N 0 3 316.796 2.197 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1-c1nnn[n-]1 ZINC001588456562 1076449325 /nfs/dbraw/zinc/44/93/25/1076449325.db2.gz QRGZNMSXIWDMHX-OKILXGFUSA-N 0 3 311.389 2.429 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1-c1nnn[n-]1 ZINC001588456562 1076449327 /nfs/dbraw/zinc/44/93/27/1076449327.db2.gz QRGZNMSXIWDMHX-OKILXGFUSA-N 0 3 311.389 2.429 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1-c1nn[n-]n1 ZINC001588456562 1076449328 /nfs/dbraw/zinc/44/93/28/1076449328.db2.gz QRGZNMSXIWDMHX-OKILXGFUSA-N 0 3 311.389 2.429 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1-c1nn[n-]n1 ZINC001588456562 1076449331 /nfs/dbraw/zinc/44/93/31/1076449331.db2.gz QRGZNMSXIWDMHX-OKILXGFUSA-N 0 3 311.389 2.429 20 30 DEEDHN C=CC[N@H+](CCc1ccccn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588635855 1076459789 /nfs/dbraw/zinc/45/97/89/1076459789.db2.gz YXHXKKRENGURIV-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@@H+](CCc1ccccn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588635855 1076459793 /nfs/dbraw/zinc/45/97/93/1076459793.db2.gz YXHXKKRENGURIV-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)CCC ZINC001588648821 1076459874 /nfs/dbraw/zinc/45/98/74/1076459874.db2.gz QXHURVXDIMZMQX-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)CCC ZINC001588648821 1076459877 /nfs/dbraw/zinc/45/98/77/1076459877.db2.gz QXHURVXDIMZMQX-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CCC ZINC001588648821 1076459880 /nfs/dbraw/zinc/45/98/80/1076459880.db2.gz QXHURVXDIMZMQX-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CCC ZINC001588648821 1076459882 /nfs/dbraw/zinc/45/98/82/1076459882.db2.gz QXHURVXDIMZMQX-HNNXBMFYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588718774 1076462193 /nfs/dbraw/zinc/46/21/93/1076462193.db2.gz SKODHPHKWWCKHI-CVEARBPZSA-N 0 3 313.405 2.307 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588718774 1076462195 /nfs/dbraw/zinc/46/21/95/1076462195.db2.gz SKODHPHKWWCKHI-CVEARBPZSA-N 0 3 313.405 2.307 20 30 DEEDHN C[N@H+](CCc1cccc(C#N)c1)Cc1cc(-c2nnn[n-]2)cs1 ZINC001591121242 1076710225 /nfs/dbraw/zinc/71/02/25/1076710225.db2.gz PVIUTJLWUUCALN-UHFFFAOYSA-N 0 3 324.413 2.474 20 30 DEEDHN C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(-c2nnn[n-]2)cs1 ZINC001591121242 1076710230 /nfs/dbraw/zinc/71/02/30/1076710230.db2.gz PVIUTJLWUUCALN-UHFFFAOYSA-N 0 3 324.413 2.474 20 30 DEEDHN C[N@H+](CCc1cccc(C#N)c1)Cc1cc(-c2nn[n-]n2)cs1 ZINC001591121242 1076710236 /nfs/dbraw/zinc/71/02/36/1076710236.db2.gz PVIUTJLWUUCALN-UHFFFAOYSA-N 0 3 324.413 2.474 20 30 DEEDHN C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(-c2nn[n-]n2)cs1 ZINC001591121242 1076710238 /nfs/dbraw/zinc/71/02/38/1076710238.db2.gz PVIUTJLWUUCALN-UHFFFAOYSA-N 0 3 324.413 2.474 20 30 DEEDHN N#CC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001592672733 1076951105 /nfs/dbraw/zinc/95/11/05/1076951105.db2.gz NRNMPLZENJHIDM-UHFFFAOYSA-N 0 3 300.341 2.178 20 30 DEEDHN N#CC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001592672733 1076951113 /nfs/dbraw/zinc/95/11/13/1076951113.db2.gz NRNMPLZENJHIDM-UHFFFAOYSA-N 0 3 300.341 2.178 20 30 DEEDHN N#Cc1cc(C[NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cs1 ZINC001592688419 1076952748 /nfs/dbraw/zinc/95/27/48/1076952748.db2.gz YEINJWAPYVCYOV-AWEZNQCLSA-N 0 3 322.397 2.057 20 30 DEEDHN C=CCSCCn1c(C)nnc1N1CCN(CC2CC2)CC1 ZINC001595844773 1077069209 /nfs/dbraw/zinc/06/92/09/1077069209.db2.gz IIKFKEUYFSWKAK-UHFFFAOYSA-N 0 3 321.494 2.038 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609050896 1077748765 /nfs/dbraw/zinc/74/87/65/1077748765.db2.gz HDONUUGOACSIRD-HOCLYGCPSA-N 0 3 313.405 2.246 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609050896 1077748769 /nfs/dbraw/zinc/74/87/69/1077748769.db2.gz HDONUUGOACSIRD-HOCLYGCPSA-N 0 3 313.405 2.246 20 30 DEEDHN N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001609494446 1077870257 /nfs/dbraw/zinc/87/02/57/1077870257.db2.gz DTIGNDNXQUXYTA-PWSUYJOCSA-N 0 3 300.341 2.178 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)C1(C)CCCCC1 ZINC001267818923 1079513806 /nfs/dbraw/zinc/51/38/06/1079513806.db2.gz QEBBDHFMBIKITM-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCCOC2)cc1 ZINC001272682135 1079567855 /nfs/dbraw/zinc/56/78/55/1079567855.db2.gz IDJTXRXQHVTHPY-CRAIPNDOSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cnoc1CC ZINC001484400339 1079591717 /nfs/dbraw/zinc/59/17/17/1079591717.db2.gz QTDMIJQTJFEBIU-UHFFFAOYSA-N 0 3 311.385 2.102 20 30 DEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCOc1ccccc1 ZINC001484462738 1079620235 /nfs/dbraw/zinc/62/02/35/1079620235.db2.gz DMFSWHOHCFOTKZ-MSOLQXFVSA-N 0 3 312.413 2.154 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001484510979 1079635680 /nfs/dbraw/zinc/63/56/80/1079635680.db2.gz FALINIDFYIZJOB-GFCCVEGCSA-N 0 3 311.788 2.415 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@@H]1CNCc1cncc(F)c1 ZINC001267963025 1079642970 /nfs/dbraw/zinc/64/29/70/1079642970.db2.gz MCOGLBLURKDWOL-QGZVFWFLSA-N 0 3 317.408 2.495 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccnc2OC)C1 ZINC001484537476 1079650359 /nfs/dbraw/zinc/65/03/59/1079650359.db2.gz ZLBUYWJRDPJWEH-ZDUSSCGKSA-N 0 3 323.824 2.285 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC001484544132 1079652146 /nfs/dbraw/zinc/65/21/46/1079652146.db2.gz VGMFQOMVBGLQHC-CQSZACIVSA-N 0 3 314.857 2.384 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1CCOCC1 ZINC001484552698 1079656548 /nfs/dbraw/zinc/65/65/48/1079656548.db2.gz HDXXGNGPDGBZSK-UHFFFAOYSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCOC2)cc1 ZINC001484559750 1079660115 /nfs/dbraw/zinc/66/01/15/1079660115.db2.gz KOHIDZNRPHUVLY-RDJZCZTQSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1c[nH]c(C#N)c1 ZINC001484555785 1079661744 /nfs/dbraw/zinc/66/17/44/1079661744.db2.gz XSQLBVPRMSMVCI-UHFFFAOYSA-N 0 3 320.396 2.271 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1c(C)cnn1C ZINC001484556093 1079662822 /nfs/dbraw/zinc/66/28/22/1079662822.db2.gz JPAWVILOAGAQPY-UHFFFAOYSA-N 0 3 312.417 2.276 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCCC[C@@H]2CNC[C@H](F)CC)c1 ZINC001484618553 1079689951 /nfs/dbraw/zinc/68/99/51/1079689951.db2.gz VBXUMGATWVNOCS-IAGOWNOFSA-N 0 3 317.408 2.395 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@@H](CNCC#CC)C2)CCCCC1 ZINC001484699920 1079727907 /nfs/dbraw/zinc/72/79/07/1079727907.db2.gz IKAFMFFZIFERMK-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 ZINC001484711000 1079734973 /nfs/dbraw/zinc/73/49/73/1079734973.db2.gz XAFBYESTKOMUFV-OCCSQVGLSA-N 0 3 318.421 2.176 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)CC(C)=C(C)C)CC1 ZINC001484720222 1079756825 /nfs/dbraw/zinc/75/68/25/1079756825.db2.gz LKFJHQDAMOGBLF-KRWDZBQOSA-N 0 3 306.450 2.353 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC2CCOCC2)C1 ZINC001481394151 1079778233 /nfs/dbraw/zinc/77/82/33/1079778233.db2.gz HSALVINEBXVBJW-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001484769528 1079786098 /nfs/dbraw/zinc/78/60/98/1079786098.db2.gz XCTAHJVQEDFGCY-ABHNRTSZSA-N 0 3 320.477 2.243 20 30 DEEDHN CCC1(C(=O)N2CCC[C@@]3(CCN(CC#CCOC)C3)C2)CC1 ZINC001484829171 1079808222 /nfs/dbraw/zinc/80/82/22/1079808222.db2.gz FKRODMJGTDTUMH-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](OCC)C2CC2)cc1 ZINC001272690634 1079821842 /nfs/dbraw/zinc/82/18/42/1079821842.db2.gz CFWASROATBQMOR-KSSFIOAISA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@](CO)(NC/C=C/Cl)C1 ZINC001484848788 1079822370 /nfs/dbraw/zinc/82/23/70/1079822370.db2.gz ZQFYLXCFIVAVOK-RZIFZGNASA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(OC)ns2)C1 ZINC001484889237 1079838954 /nfs/dbraw/zinc/83/89/54/1079838954.db2.gz LKYLRBVPKVYNQG-OCCSQVGLSA-N 0 3 323.462 2.445 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1NCC#Cc1ccccc1 ZINC001484888861 1079839563 /nfs/dbraw/zinc/83/95/63/1079839563.db2.gz JRORXBYLECZTAJ-QAPCUYQASA-N 0 3 307.397 2.117 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2ccc(CC)cc2)C[C@H]1C ZINC001484984995 1079898395 /nfs/dbraw/zinc/89/83/95/1079898395.db2.gz AOHGSAQGYPHPME-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccoc2Cl)CC1 ZINC001485018178 1079919453 /nfs/dbraw/zinc/91/94/53/1079919453.db2.gz ZCGGUSOZYZYHJT-UHFFFAOYSA-N 0 3 312.797 2.066 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC001485046436 1079936892 /nfs/dbraw/zinc/93/68/92/1079936892.db2.gz DYLXLYQNJFBTHP-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001485077140 1079962218 /nfs/dbraw/zinc/96/22/18/1079962218.db2.gz YDSNFOOFFCILTJ-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1=CCCC1 ZINC001485134157 1079993048 /nfs/dbraw/zinc/99/30/48/1079993048.db2.gz CLXKBTFBXMDNDK-LSDHHAIUSA-N 0 3 321.465 2.004 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccn(C)c1 ZINC001485137268 1080022071 /nfs/dbraw/zinc/02/20/71/1080022071.db2.gz PJTAIUVUGOCESN-CVEARBPZSA-N 0 3 309.413 2.173 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CN[C@H](C)c1n[nH]c(CC)n1 ZINC001268085517 1080041241 /nfs/dbraw/zinc/04/12/41/1080041241.db2.gz MWJWZANAZYZEBF-QWHCGFSZSA-N 0 3 321.469 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001656103041 1080043805 /nfs/dbraw/zinc/04/38/05/1080043805.db2.gz VPNCYMHZQNNQOA-CQSZACIVSA-N 0 3 304.438 2.186 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CC[C@@H](NCc2conc2C)C1 ZINC001656284434 1080074729 /nfs/dbraw/zinc/07/47/29/1080074729.db2.gz JJUKEBPYRBUXEU-GOEBONIOSA-N 0 3 303.406 2.161 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(F)cc3ccncc32)CC1 ZINC001670784332 1080085603 /nfs/dbraw/zinc/08/56/03/1080085603.db2.gz LGMBMBMUGYBZKK-UHFFFAOYSA-N 0 3 311.360 2.249 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H](CNCCF)C2CCCCC2)c1 ZINC001268119413 1080086700 /nfs/dbraw/zinc/08/67/00/1080086700.db2.gz IBJIJCNSRWRERN-QGZVFWFLSA-N 0 3 317.408 2.301 20 30 DEEDHN C[C@@H](CNC(=O)c1cscn1)N(C)Cc1cccc(C#N)c1 ZINC001485284900 1080110774 /nfs/dbraw/zinc/11/07/74/1080110774.db2.gz VDJNURGVOWXOCK-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC001656771561 1080122992 /nfs/dbraw/zinc/12/29/92/1080122992.db2.gz MBYHMJLHGDYAFR-AWEZNQCLSA-N 0 3 308.447 2.141 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1c(C)cc(C)nc1C ZINC001485334447 1080146676 /nfs/dbraw/zinc/14/66/76/1080146676.db2.gz OSMACTOEVGHNOL-HNNXBMFYSA-N 0 3 319.449 2.260 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(COCC)CC2)CC(C)(C)C1 ZINC001657101459 1080156826 /nfs/dbraw/zinc/15/68/26/1080156826.db2.gz AFFJYUHTOFNCPB-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@H](C#N)CNCCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001657727794 1080183212 /nfs/dbraw/zinc/18/32/12/1080183212.db2.gz QEIRGFQCRJEKCO-CYBMUJFWSA-N 0 3 311.426 2.200 20 30 DEEDHN COc1ccc(CNCc2ccnn2-c2ccncc2)cc1C#N ZINC001658497534 1080208578 /nfs/dbraw/zinc/20/85/78/1080208578.db2.gz VSYICCBUYGKNIX-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC001658596594 1080211346 /nfs/dbraw/zinc/21/13/46/1080211346.db2.gz ICDOKJQTLLUAOZ-CYBMUJFWSA-N 0 3 308.328 2.195 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)Cc1ccccc1F ZINC001268249557 1080231253 /nfs/dbraw/zinc/23/12/53/1080231253.db2.gz VWMOGODLKQVEFC-OAHLLOKOSA-N 0 3 304.409 2.418 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001485495060 1080255301 /nfs/dbraw/zinc/25/53/01/1080255301.db2.gz CQIMENFWIARBEX-MRXNPFEDSA-N 0 3 316.445 2.443 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cc(OC)no1 ZINC001268277500 1080255412 /nfs/dbraw/zinc/25/54/12/1080255412.db2.gz PJTGUKJSIDWBCO-UKRRQHHQSA-N 0 3 321.421 2.414 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)C1CN(CC2=CCCCC2)C1 ZINC001485504633 1080266902 /nfs/dbraw/zinc/26/69/02/1080266902.db2.gz OKUPYCSVAFKAGE-RDTXWAMCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C[C@H]2CC=CCC2)C1 ZINC001485520793 1080279330 /nfs/dbraw/zinc/27/93/30/1080279330.db2.gz SGTILCRHAIAZMH-HOTGVXAUSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001485522767 1080281046 /nfs/dbraw/zinc/28/10/46/1080281046.db2.gz OFGWBRNYWMWRSC-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCOCC1 ZINC001481673173 1080283341 /nfs/dbraw/zinc/28/33/41/1080283341.db2.gz WVDJEKBYVFZRCC-KKUMJFAQSA-N 0 3 310.413 2.145 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001485527730 1080283514 /nfs/dbraw/zinc/28/35/14/1080283514.db2.gz XQWMDCJAZKNHRA-AWEZNQCLSA-N 0 3 316.449 2.216 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCCO1 ZINC001481678489 1080293833 /nfs/dbraw/zinc/29/38/33/1080293833.db2.gz UVGTXXKXUBVQBS-OKZBNKHCSA-N 0 3 318.461 2.424 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CN(CCCO)CC2(C)C)CCCCC1 ZINC001485586928 1080316655 /nfs/dbraw/zinc/31/66/55/1080316655.db2.gz RPTBJQDEGRHZLW-INIZCTEOSA-N 0 3 320.477 2.169 20 30 DEEDHN CC#CCN(C)CCCNC(=O)COc1cc(C)ccc1C ZINC001660395155 1080323950 /nfs/dbraw/zinc/32/39/50/1080323950.db2.gz ALDULDCHMCHGRG-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3c(C)noc3C)C[C@H]21 ZINC001485611616 1080332281 /nfs/dbraw/zinc/33/22/81/1080332281.db2.gz JDMASXDQVPMFRC-MKZZRHPPSA-N 0 3 317.433 2.298 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccnc2OCC)C1 ZINC001485704193 1080371881 /nfs/dbraw/zinc/37/18/81/1080371881.db2.gz USNMXDMRMNEURB-JOCQHMNTSA-N 0 3 323.824 2.331 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001660822043 1080402770 /nfs/dbraw/zinc/40/27/70/1080402770.db2.gz BQHAPMXMUCCUFW-LSDHHAIUSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C(C)(C)C(C)C)CC1 ZINC001660883867 1080412334 /nfs/dbraw/zinc/41/23/34/1080412334.db2.gz XHJCYVSXPULVSO-UHFFFAOYSA-N 0 3 309.498 2.369 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C2CCC(=C)CC2)CC1 ZINC001660939025 1080416590 /nfs/dbraw/zinc/41/65/90/1080416590.db2.gz NFJBMSDKXPJWKA-UHFFFAOYSA-N 0 3 305.466 2.043 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCNCc2cnc(C)cn2)C1 ZINC001268398528 1080422916 /nfs/dbraw/zinc/42/29/16/1080422916.db2.gz LIUNZUPEWYJVAQ-CYBMUJFWSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC1 ZINC001661240694 1080462273 /nfs/dbraw/zinc/46/22/73/1080462273.db2.gz NKFHQISKHSCGDX-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)nn1C ZINC001661271375 1080465660 /nfs/dbraw/zinc/46/56/60/1080465660.db2.gz QQALTCZHFVVKLF-IYBDPMFKSA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnn1 ZINC001661270706 1080465774 /nfs/dbraw/zinc/46/57/74/1080465774.db2.gz FQHDTVMKUCSXIU-SOUVJXGZSA-N 0 3 300.406 2.120 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnn1 ZINC001661270705 1080465803 /nfs/dbraw/zinc/46/58/03/1080465803.db2.gz FQHDTVMKUCSXIU-KFWWJZLASA-N 0 3 300.406 2.120 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001661352784 1080473508 /nfs/dbraw/zinc/47/35/08/1080473508.db2.gz IIZPRMQVIYBMSP-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001481777914 1080493742 /nfs/dbraw/zinc/49/37/42/1080493742.db2.gz KEGCLDVXSQKMKD-HZPDHXFCSA-N 0 3 317.433 2.348 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001661871104 1080538086 /nfs/dbraw/zinc/53/80/86/1080538086.db2.gz KUKFOIHXVPDODX-INIZCTEOSA-N 0 3 318.465 2.473 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)NCC(=O)NC1CCCCCCC1 ZINC001662180083 1080578475 /nfs/dbraw/zinc/57/84/75/1080578475.db2.gz OCOFQHMMJJDCFA-OAHLLOKOSA-N 0 3 323.481 2.276 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001662618925 1080622752 /nfs/dbraw/zinc/62/27/52/1080622752.db2.gz KNUKMYQYVUVLSV-JKSUJKDBSA-N 0 3 314.433 2.169 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001662691320 1080636092 /nfs/dbraw/zinc/63/60/92/1080636092.db2.gz SJPMNJWMMDCUNR-OAHLLOKOSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001662758720 1080649578 /nfs/dbraw/zinc/64/95/78/1080649578.db2.gz KEHYIROVGUPYKT-STQMWFEESA-N 0 3 313.405 2.165 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001662827845 1080662781 /nfs/dbraw/zinc/66/27/81/1080662781.db2.gz JHMUUSVICLFKMG-HNNXBMFYSA-N 0 3 324.856 2.426 20 30 DEEDHN Cc1cnc(CN[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)s1 ZINC001482016313 1080689500 /nfs/dbraw/zinc/68/95/00/1080689500.db2.gz ZLVQZPOIHMXEQF-SHTZXODSSA-N 0 3 317.458 2.382 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccc3n[nH]cc3c2)cc1 ZINC001482033699 1080717297 /nfs/dbraw/zinc/71/72/97/1080717297.db2.gz YWAMTTDWEDFVAK-UHFFFAOYSA-N 0 3 318.380 2.216 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107317805 1080724825 /nfs/dbraw/zinc/72/48/25/1080724825.db2.gz BZSDOLHYQBSKHP-BFYDXBDKSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001663508060 1080762029 /nfs/dbraw/zinc/76/20/29/1080762029.db2.gz GZJAAWSOLJIVKG-PQUAAJSLSA-N 0 3 306.450 2.350 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001663644535 1080795528 /nfs/dbraw/zinc/79/55/28/1080795528.db2.gz HZVQXCDBWDIXSR-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCN(CCNC(=O)c1scnc1C(F)F)C1CC1 ZINC001663739592 1080809690 /nfs/dbraw/zinc/80/96/90/1080809690.db2.gz GTXZVSNBCRJHAR-UHFFFAOYSA-N 0 3 301.362 2.461 20 30 DEEDHN Cc1noc(C)c1C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001663809247 1080820234 /nfs/dbraw/zinc/82/02/34/1080820234.db2.gz FXMSMZNXTYPMAB-UHFFFAOYSA-N 0 3 312.373 2.025 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CN[C@H](C)c1cnc(C)cn1 ZINC001482130603 1080829179 /nfs/dbraw/zinc/82/91/79/1080829179.db2.gz FFBMUAJFZLAJQJ-GXTWGEPZSA-N 0 3 304.438 2.400 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H](C)NC(=O)C=C1CCC1 ZINC001268681513 1080931895 /nfs/dbraw/zinc/93/18/95/1080931895.db2.gz GUDOVJUMGXXHFO-GJZGRUSLSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001268688603 1080935939 /nfs/dbraw/zinc/93/59/39/1080935939.db2.gz JNCXYRVGFGKTFA-KBPBESRZSA-N 0 3 314.385 2.065 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001268706860 1080944637 /nfs/dbraw/zinc/94/46/37/1080944637.db2.gz XCJSUFYQEPWJFE-MPGHIAIKSA-N 0 3 308.466 2.193 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCc2cnn(C)c2)CCCC1 ZINC001268718889 1080948596 /nfs/dbraw/zinc/94/85/96/1080948596.db2.gz QKKDPLYRBOYQGP-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CN[C@@H](C)c2n[nH]c(C)n2)CCCC1 ZINC001268719226 1080950191 /nfs/dbraw/zinc/95/01/91/1080950191.db2.gz WFHWZYKNAVQBGN-STQMWFEESA-N 0 3 319.453 2.405 20 30 DEEDHN CCCCCCN1CCN(CCN(C)C(=O)C#CC(C)C)CC1 ZINC001664767290 1080958828 /nfs/dbraw/zinc/95/88/28/1080958828.db2.gz ZWUJLILIYHVUHQ-UHFFFAOYSA-N 0 3 321.509 2.302 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)cn1 ZINC001665425115 1081026730 /nfs/dbraw/zinc/02/67/30/1081026730.db2.gz IXXJXQIKMWVXHT-KKUMJFAQSA-N 0 3 302.422 2.156 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(C)n1 ZINC001665428827 1081028850 /nfs/dbraw/zinc/02/88/50/1081028850.db2.gz JSAAZHMLJYFJHC-GJZGRUSLSA-N 0 3 305.447 2.245 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001665481592 1081033509 /nfs/dbraw/zinc/03/35/09/1081033509.db2.gz IDSBSVJNUOBVJW-INIZCTEOSA-N 0 3 319.449 2.384 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCc2ccc(OCC)cc2)C1 ZINC001665557161 1081039068 /nfs/dbraw/zinc/03/90/68/1081039068.db2.gz ZHNBJWFMUKNPCT-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCOc2ccc(F)cc2)C1 ZINC001665659165 1081056980 /nfs/dbraw/zinc/05/69/80/1081056980.db2.gz JAVORNRJIHWIER-HNNXBMFYSA-N 0 3 306.381 2.313 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN(C)CCCCCC ZINC001268974577 1081071863 /nfs/dbraw/zinc/07/18/63/1081071863.db2.gz WNOJALOYAMSRCF-IRXDYDNUSA-N 0 3 307.482 2.360 20 30 DEEDHN CCCOCC(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001665765962 1081079326 /nfs/dbraw/zinc/07/93/26/1081079326.db2.gz QYXBHIDROOSHLX-KRWDZBQOSA-N 0 3 320.408 2.088 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCOc2cccc(OC)c2)C1 ZINC001269096827 1081116232 /nfs/dbraw/zinc/11/62/32/1081116232.db2.gz CUUIWRQWGQAJBS-HNNXBMFYSA-N 0 3 318.417 2.231 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001269121659 1081125936 /nfs/dbraw/zinc/12/59/36/1081125936.db2.gz HZSXVSPSFKTTGF-QZTJIDSGSA-N 0 3 314.429 2.104 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@H](CC)C1 ZINC001269169068 1081148580 /nfs/dbraw/zinc/14/85/80/1081148580.db2.gz LNSVOSRVPTXYGZ-CABCVRRESA-N 0 3 319.453 2.186 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNCc2ccn(CC)n2)C1 ZINC001666615372 1081166912 /nfs/dbraw/zinc/16/69/12/1081166912.db2.gz CHVQBSIYQHENGQ-AWEZNQCLSA-N 0 3 304.438 2.101 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](C)CNCc2ccn(CC)n2)C1 ZINC001666615373 1081166936 /nfs/dbraw/zinc/16/69/36/1081166936.db2.gz CHVQBSIYQHENGQ-CQSZACIVSA-N 0 3 304.438 2.101 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001269239512 1081179305 /nfs/dbraw/zinc/17/93/05/1081179305.db2.gz ARHGVDNDMIWVIB-VSZNYVQBSA-N 0 3 318.461 2.324 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)CC2 ZINC001666834785 1081184759 /nfs/dbraw/zinc/18/47/59/1081184759.db2.gz OGEHOJKSQPVLFE-IAGOWNOFSA-N 0 3 320.477 2.406 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC1CCCCC1 ZINC001666864993 1081187636 /nfs/dbraw/zinc/18/76/36/1081187636.db2.gz NGPGYNRDANCQQZ-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN CCc1n[nH]cc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666943869 1081195423 /nfs/dbraw/zinc/19/54/23/1081195423.db2.gz XBPZZYFZIRSWGD-HNNXBMFYSA-N 0 3 324.428 2.074 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)c1oc(C)cc1C ZINC001667080558 1081208630 /nfs/dbraw/zinc/20/86/30/1081208630.db2.gz DWQFLQFWZCKCRJ-MRXNPFEDSA-N 0 3 320.433 2.280 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](CNCCF)CC(C)C ZINC001667118517 1081213055 /nfs/dbraw/zinc/21/30/55/1081213055.db2.gz RHLFMXAHWOKWEO-QGZVFWFLSA-N 0 3 304.409 2.300 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001269342867 1081221148 /nfs/dbraw/zinc/22/11/48/1081221148.db2.gz DCSXLCWZKGBNJO-AWEZNQCLSA-N 0 3 315.417 2.046 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001269356144 1081226426 /nfs/dbraw/zinc/22/64/26/1081226426.db2.gz NWDMMTWHSAACES-HIFRSBDPSA-N 0 3 304.438 2.141 20 30 DEEDHN CC[C@@H](CNC(=O)c1[nH]ccc1C)NCC#Cc1ccccc1 ZINC001269395990 1081236953 /nfs/dbraw/zinc/23/69/53/1081236953.db2.gz AXFIEPQXQQKFPN-KRWDZBQOSA-N 0 3 309.413 2.473 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)N(CC)CC ZINC001667368137 1081243478 /nfs/dbraw/zinc/24/34/78/1081243478.db2.gz KTJIBMVULVDRKY-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C1(c2cccnc2)CCCC1 ZINC001667615041 1081268090 /nfs/dbraw/zinc/26/80/90/1081268090.db2.gz HLIFSYINTIFZTM-UHFFFAOYSA-N 0 3 313.445 2.307 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN(C)CCCc2nc(C)no2)C1 ZINC001667623324 1081268475 /nfs/dbraw/zinc/26/84/75/1081268475.db2.gz VEELISZZXZCSSN-UHFFFAOYSA-N 0 3 320.437 2.057 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2cccnc2n1 ZINC001668065132 1081311757 /nfs/dbraw/zinc/31/17/57/1081311757.db2.gz GLZZLWHMXPGYJP-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@H](C)C(=O)N[C@H](C)CC)C1 ZINC001668549938 1081367028 /nfs/dbraw/zinc/36/70/28/1081367028.db2.gz MSWYZSVJOGDPJQ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)CCNCc2cccnc2C)cn1 ZINC001668619901 1081373677 /nfs/dbraw/zinc/37/36/77/1081373677.db2.gz YYGFFKLGOFGPKN-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)C2=COCCC2)c1 ZINC001668738941 1081388559 /nfs/dbraw/zinc/38/85/59/1081388559.db2.gz JOMHNACLFPHQKI-UPHRSURJSA-N 0 3 311.385 2.015 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(C)no2)C[C@@H]1C ZINC001269928696 1081403086 /nfs/dbraw/zinc/40/30/86/1081403086.db2.gz SHGIXBAECMULFS-GJZGRUSLSA-N 0 3 303.406 2.256 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC001006461676 1081405539 /nfs/dbraw/zinc/40/55/39/1081405539.db2.gz GWCIAPNFGZWFOX-HNNXBMFYSA-N 0 3 304.438 2.170 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)c1c(F)cccc1F ZINC001668934875 1081410731 /nfs/dbraw/zinc/41/07/31/1081410731.db2.gz BRXZGWNINIORKF-CFHLNLSMSA-N 0 3 306.356 2.354 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001669131625 1081431132 /nfs/dbraw/zinc/43/11/32/1081431132.db2.gz JALMKYRXXMXRBE-BQYQJAHWSA-N 0 3 314.433 2.356 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C2(C)CC(F)(F)C2)cc1 ZINC001270082058 1081445785 /nfs/dbraw/zinc/44/57/85/1081445785.db2.gz NNGHLPZPFUAPID-UHFFFAOYSA-N 0 3 306.356 2.461 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C(C)C)CCC1 ZINC001669392582 1081448784 /nfs/dbraw/zinc/44/87/84/1081448784.db2.gz TYJUNHHSLNIJRH-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)ccc1OC)C2 ZINC001095839097 1081468086 /nfs/dbraw/zinc/46/80/86/1081468086.db2.gz QQACFIUQNNRGPT-KBMXLJTQSA-N 0 3 316.376 2.193 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)CCO[C@@H]1CC1(F)F ZINC001669862610 1081475458 /nfs/dbraw/zinc/47/54/58/1081475458.db2.gz NHSJGTTXLZEPLO-QWHCGFSZSA-N 0 3 318.408 2.449 20 30 DEEDHN C=CCOCC(=O)NC1(C)CCN(Cc2cccnc2C)CC1 ZINC001270212996 1081475688 /nfs/dbraw/zinc/47/56/88/1081475688.db2.gz OMZMGXZZGXHWCM-UHFFFAOYSA-N 0 3 317.433 2.063 20 30 DEEDHN C[C@H](CNCc1cncc(F)c1)N(C)C(=O)C#CC(C)(C)C ZINC001482280253 1081502864 /nfs/dbraw/zinc/50/28/64/1081502864.db2.gz FFJLQMVKPUGMOD-CYBMUJFWSA-N 0 3 305.397 2.207 20 30 DEEDHN C#CCN(C(=O)c1nc(C)c[nH]1)C1CCN(CC=C(C)C)CC1 ZINC001270351719 1081506469 /nfs/dbraw/zinc/50/64/69/1081506469.db2.gz QYCCYCHAALFODD-UHFFFAOYSA-N 0 3 314.433 2.224 20 30 DEEDHN C#CCN(C(=O)COc1ccsc1)C1CCN(CC=C)CC1 ZINC001270358278 1081507704 /nfs/dbraw/zinc/50/77/04/1081507704.db2.gz FOTSTDHAEGWZMR-UHFFFAOYSA-N 0 3 318.442 2.239 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)[C@H](C)CCCC)CC2)C1 ZINC001671603070 1081525091 /nfs/dbraw/zinc/52/50/91/1081525091.db2.gz KLBPHLSPSJMLLQ-SJORKVTESA-N 0 3 307.482 2.217 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CO[C@@H](C)CC)C2 ZINC001671593488 1081525658 /nfs/dbraw/zinc/52/56/58/1081525658.db2.gz KJTFAMSGSRKVJA-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCOc2cccc(OC)c2)C1 ZINC001671694359 1081533505 /nfs/dbraw/zinc/53/35/05/1081533505.db2.gz SNJMICWFKHNKGT-GOSISDBHSA-N 0 3 318.417 2.231 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC(C)C)C2 ZINC001270503910 1081538812 /nfs/dbraw/zinc/53/88/12/1081538812.db2.gz CUJWNAVAIHMUTJ-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCC2CCOCC2)C1 ZINC001671907834 1081548512 /nfs/dbraw/zinc/54/85/12/1081548512.db2.gz MXRCESRIZNABTP-LJQANCHMSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001671962287 1081553699 /nfs/dbraw/zinc/55/36/99/1081553699.db2.gz FULSKQXVROODJB-LSDHHAIUSA-N 0 3 310.388 2.439 20 30 DEEDHN C=CCCC(=O)NC[C@@]1(O)CCN(Cc2cc(F)ccc2C)C1 ZINC001671982088 1081555690 /nfs/dbraw/zinc/55/56/90/1081555690.db2.gz LMOFISMIARPAJX-SFHVURJKSA-N 0 3 320.408 2.153 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2ncc(Cl)n2C)C1 ZINC001672190726 1081565071 /nfs/dbraw/zinc/56/50/71/1081565071.db2.gz NVGHVNHTUJFJIQ-OLZOCXBDSA-N 0 3 324.856 2.366 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](C)OCc2ccncc2)C1 ZINC001270632158 1081575916 /nfs/dbraw/zinc/57/59/16/1081575916.db2.gz IFGRUAIPNDNHEC-QAPCUYQASA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC001006481626 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ZINC001672929253 1081722944 /nfs/dbraw/zinc/72/29/44/1081722944.db2.gz CVOWPASJLGBEGB-SFHVURJKSA-N 0 3 315.461 2.098 20 30 DEEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001673252859 1081750192 /nfs/dbraw/zinc/75/01/92/1081750192.db2.gz NPUNZNBHQYJMIL-GJZGRUSLSA-N 0 3 318.417 2.178 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CCc2cscn2)CC1 ZINC001673406259 1081768177 /nfs/dbraw/zinc/76/81/77/1081768177.db2.gz CUSFTAOPVSAQBR-AWEZNQCLSA-N 0 3 305.447 2.070 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1coc(C2CCC2)n1 ZINC001673483716 1081775115 /nfs/dbraw/zinc/77/51/15/1081775115.db2.gz YRDSTVHUEPBXSK-UHFFFAOYSA-N 0 3 303.406 2.359 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H](O)C(C)C)cc2C1 ZINC001673761642 1081797310 /nfs/dbraw/zinc/79/73/10/1081797310.db2.gz YUHNQMMOIRIZKZ-QGZVFWFLSA-N 0 3 302.418 2.211 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001673903734 1081811214 /nfs/dbraw/zinc/81/12/14/1081811214.db2.gz GVJKEIKMWHWGCP-XJKSGUPXSA-N 0 3 318.465 2.267 20 30 DEEDHN 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ZINC001266513877 1082095146 /nfs/dbraw/zinc/09/51/46/1082095146.db2.gz IEUZSEBKRSJVLD-DLBZAZTESA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cn(C(C)C)nc2C)C1 ZINC001266521972 1082104469 /nfs/dbraw/zinc/10/44/69/1082104469.db2.gz BGIQQHNOVACRGE-KRWDZBQOSA-N 0 3 316.449 2.266 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](CC)Oc2cccc(C)c2)C1 ZINC001266537296 1082131620 /nfs/dbraw/zinc/13/16/20/1082131620.db2.gz IFIJPXFDIFGAFB-WMZOPIPTSA-N 0 3 314.429 2.224 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001266541144 1082136381 /nfs/dbraw/zinc/13/63/81/1082136381.db2.gz YNRJFORVIWBKDL-XJKSGUPXSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001266595849 1082182204 /nfs/dbraw/zinc/18/22/04/1082182204.db2.gz JPDLCVNAZYSBRQ-WKILWMFISA-N 0 3 314.433 2.290 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c(C)[nH]cc1NC(C)=O)C1CC1 ZINC001266600086 1082187009 /nfs/dbraw/zinc/18/70/09/1082187009.db2.gz IPDSJOQFGLVPMR-UHFFFAOYSA-N 0 3 318.421 2.052 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1cn2c(C)csc2n1 ZINC001670672683 1082211169 /nfs/dbraw/zinc/21/11/69/1082211169.db2.gz OMRMKDWKIXLPAB-CQSZACIVSA-N 0 3 318.446 2.013 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCc1cn(C)nc1C ZINC001671352171 1082214559 /nfs/dbraw/zinc/21/45/59/1082214559.db2.gz ZZWBPHKJKXWEIP-INIZCTEOSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnn2c1CCCC2)C(C)C ZINC001482563830 1082232942 /nfs/dbraw/zinc/23/29/42/1082232942.db2.gz YWCLYXQOQXGPFV-AWEZNQCLSA-N 0 3 324.856 2.316 20 30 DEEDHN N#CCSCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001266643624 1082242684 /nfs/dbraw/zinc/24/26/84/1082242684.db2.gz KBHPNUORPBGEEK-KLHXCDJSSA-N 0 3 313.854 2.107 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(C[C@H]3CCCCO3)[C@@H]2C)C1 ZINC001088844210 1082251081 /nfs/dbraw/zinc/25/10/81/1082251081.db2.gz IIANIGLVJVOWSR-OAGGEKHMSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001266688072 1082285242 /nfs/dbraw/zinc/28/52/42/1082285242.db2.gz 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/nfs/dbraw/zinc/50/43/41/1083504341.db2.gz BOWJLNQPUKSMIY-NEPJUHHUSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC001276615594 1083516529 /nfs/dbraw/zinc/51/65/29/1083516529.db2.gz HOYUYKRZGGQRAL-GVDBMIGSSA-N 0 3 320.477 2.452 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccn(C)n2)[C@H](CC)C1 ZINC001276732798 1083576586 /nfs/dbraw/zinc/57/65/86/1083576586.db2.gz YVQRJFYBRYEIDL-ZBFHGGJFSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1c(C)noc1Cl ZINC001276940845 1083689666 /nfs/dbraw/zinc/68/96/66/1083689666.db2.gz MFJDXSZEHOBRCV-LBPRGKRZSA-N 0 3 311.813 2.336 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC001276957514 1083698231 /nfs/dbraw/zinc/69/82/31/1083698231.db2.gz UMFBAFMOIWKJMG-NWDGAFQWSA-N 0 3 310.829 2.232 20 30 DEEDHN C#CCCCN1CC2(C1)SCC[C@H]2C(=O)N(CC)C(C)C ZINC001276979272 1083714442 /nfs/dbraw/zinc/71/44/42/1083714442.db2.gz DOMDASYWRKJIDA-HNNXBMFYSA-N 0 3 308.491 2.464 20 30 DEEDHN C#CCCCN1CC2(C1)SCC[C@@H]2C(=O)N1CCCC12CC2 ZINC001276980124 1083715906 /nfs/dbraw/zinc/71/59/06/1083715906.db2.gz RNBWWHMYIFYTOD-OAHLLOKOSA-N 0 3 318.486 2.362 20 30 DEEDHN N#CCC1CN(C(=O)[C@H]2[C@H]3CC[C@@H]2CN(Cc2ccoc2)C3)C1 ZINC001277182587 1083834124 /nfs/dbraw/zinc/83/41/24/1083834124.db2.gz SBKTZHIMYFEWAM-BJWYYQGGSA-N 0 3 313.401 2.110 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H](NCc2conc2C)C1 ZINC001490919954 1083929255 /nfs/dbraw/zinc/92/92/55/1083929255.db2.gz TWGURTYWCIHUJS-WKILWMFISA-N 0 3 303.406 2.304 20 30 DEEDHN C=CC[N@H+](CCNC(=O)c1cnc[n-]c1=O)C1CCCCCC1 ZINC001277375677 1083933678 /nfs/dbraw/zinc/93/36/78/1083933678.db2.gz GTLMAERYMNDMLH-UHFFFAOYSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CC[N@@H+](CCNC(=O)c1cnc[n-]c1=O)C1CCCCCC1 ZINC001277375677 1083933681 /nfs/dbraw/zinc/93/36/81/1083933681.db2.gz GTLMAERYMNDMLH-UHFFFAOYSA-N 0 3 318.421 2.123 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNCC#N)CC1 ZINC001272763152 1083962290 /nfs/dbraw/zinc/96/22/90/1083962290.db2.gz NRBHAWKCRPEEGD-BRWVUGGUSA-N 0 3 320.481 2.037 20 30 DEEDHN CC/C=C(\C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001490965115 1083975673 /nfs/dbraw/zinc/97/56/73/1083975673.db2.gz NWYJDHBCCOTXJZ-NIZHBTGHSA-N 0 3 304.434 2.104 20 30 DEEDHN C#CCN1CCC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)C1=O ZINC001272766985 1083986820 /nfs/dbraw/zinc/98/68/20/1083986820.db2.gz WEFGVMJVNLCPQK-UHFFFAOYSA-N 0 3 312.413 2.148 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107961864 1084004092 /nfs/dbraw/zinc/00/40/92/1084004092.db2.gz CNVXQXFNHPJOLM-RHSMWYFYSA-N 0 3 305.422 2.190 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)CCOc2ccccc2)CC1 ZINC001670906604 1084050598 /nfs/dbraw/zinc/05/05/98/1084050598.db2.gz CQYATUPEIRVLKE-INIZCTEOSA-N 0 3 314.429 2.353 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1CCSC3(CCC3)C1)C2 ZINC001649086176 1084101216 /nfs/dbraw/zinc/10/12/16/1084101216.db2.gz CCHCDWPMRYIHOR-MYMJJRTCSA-N 0 3 319.474 2.060 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)C=C(C)C)cc1C#N ZINC001277750787 1084127890 /nfs/dbraw/zinc/12/78/90/1084127890.db2.gz BVQLUTJRYGNYGJ-AWEZNQCLSA-N 0 3 315.417 2.470 20 30 DEEDHN C=CCCCN1CCc2nc(C(=O)N3CC(CC#N)C3)ccc2C1 ZINC001277760428 1084135027 /nfs/dbraw/zinc/13/50/27/1084135027.db2.gz VEPLRFMXVIGWEZ-UHFFFAOYSA-N 0 3 324.428 2.392 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cc(C)no2)C[C@@H]1C ZINC001277786757 1084148916 /nfs/dbraw/zinc/14/89/16/1084148916.db2.gz YIPCBFVDTHPKQN-LSDHHAIUSA-N 0 3 321.421 2.045 20 30 DEEDHN Cc1ncsc1CCN1CCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001491205304 1084152777 /nfs/dbraw/zinc/15/27/77/1084152777.db2.gz QYEWBMUMWCKFGL-TZMCWYRMSA-N 0 3 320.462 2.124 20 30 DEEDHN C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001277855476 1084178224 /nfs/dbraw/zinc/17/82/24/1084178224.db2.gz VSVFOOPYRDUGAM-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2conc2C(C)C)[C@H](OC)C1 ZINC001212399357 1084200832 /nfs/dbraw/zinc/20/08/32/1084200832.db2.gz KEWOXTUXAOZRCZ-HUUCEWRRSA-N 0 3 321.421 2.193 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001277880349 1084202627 /nfs/dbraw/zinc/20/26/27/1084202627.db2.gz PPFNPUAMCUQBRY-BLLLJJGKSA-N 0 3 320.820 2.103 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2nc(C)sc2C)C1 ZINC001491292833 1084216578 /nfs/dbraw/zinc/21/65/78/1084216578.db2.gz NCCUBOZREXHUCR-DOMZBBRYSA-N 0 3 319.474 2.152 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCOc2ccccc2)C1 ZINC001491298011 1084219369 /nfs/dbraw/zinc/21/93/69/1084219369.db2.gz ASYJZOPWOLADBL-SJORKVTESA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001491299093 1084221124 /nfs/dbraw/zinc/22/11/24/1084221124.db2.gz MCMVRQDWVTVEDS-UKRRQHHQSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)COc2ccc(C)cc2)C1 ZINC001491299240 1084221739 /nfs/dbraw/zinc/22/17/39/1084221739.db2.gz FVGYHFWRLGHOCW-IRXDYDNUSA-N 0 3 314.429 2.224 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](C)OCC3CC3)C2)CC1 ZINC001671049694 1084231952 /nfs/dbraw/zinc/23/19/52/1084231952.db2.gz BMAZXRCKWGHCNB-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN CCSCCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)n(C)c1 ZINC001277914068 1084261291 /nfs/dbraw/zinc/26/12/91/1084261291.db2.gz ONBXGZWKTRLIFM-IYBDPMFKSA-N 0 3 318.490 2.298 20 30 DEEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cc[nH]c(=O)c1 ZINC001272823614 1084268092 /nfs/dbraw/zinc/26/80/92/1084268092.db2.gz HBDTXCSFGJKWCY-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C=C(C)CNCc1cccc(N2CC[C@@H](NC(=O)C(C)C)C2)n1 ZINC001128084593 1084276579 /nfs/dbraw/zinc/27/65/79/1084276579.db2.gz YWCFYQSERBACPW-MRXNPFEDSA-N 0 3 316.449 2.098 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001235104361 1084312563 /nfs/dbraw/zinc/31/25/63/1084312563.db2.gz FAISYVXRXTVXBH-GFCCVEGCSA-N 0 3 310.829 2.484 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCN(C)Cc1ncccc1C ZINC001235247476 1084358090 /nfs/dbraw/zinc/35/80/90/1084358090.db2.gz XJLXRJPKCYCMIS-MRXNPFEDSA-N 0 3 319.449 2.309 20 30 DEEDHN C[C@H](CNC(=O)CCC(F)F)NCc1ccc(C#N)s1 ZINC001491535545 1084379043 /nfs/dbraw/zinc/37/90/43/1084379043.db2.gz ZHQCAQKQZUGGSK-SECBINFHSA-N 0 3 301.362 2.259 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2nccn21 ZINC001235339812 1084397060 /nfs/dbraw/zinc/39/70/60/1084397060.db2.gz YXZXEVGXDSNLLJ-HZPDHXFCSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491547026 1084408897 /nfs/dbraw/zinc/40/88/97/1084408897.db2.gz HTDSOEMSEVDYIT-ZDUSSCGKSA-N 0 3 306.454 2.445 20 30 DEEDHN COc1ccnc(O[C@@H]2CCN(Cc3ccccc3CC#N)C2)n1 ZINC001235526324 1084456597 /nfs/dbraw/zinc/45/65/97/1084456597.db2.gz CKDITUZCGOYMJP-MRXNPFEDSA-N 0 3 324.384 2.205 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001272914906 1084466645 /nfs/dbraw/zinc/46/66/45/1084466645.db2.gz JHCRPTICWCMBTR-MRXNPFEDSA-N 0 3 300.377 2.177 20 30 DEEDHN C=CCCCC(=O)NCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001078098135 1084536594 /nfs/dbraw/zinc/53/65/94/1084536594.db2.gz BEBHCQQQXJSMJL-AWEZNQCLSA-N 0 3 311.470 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001078103692 1084547020 /nfs/dbraw/zinc/54/70/20/1084547020.db2.gz WSHIHHNQMDDPPM-OPQOLIRYSA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cnn(C)c2C)C12CCC2 ZINC001078557841 1084740767 /nfs/dbraw/zinc/74/07/67/1084740767.db2.gz CEQQGKQXBLOBEW-KGLIPLIRSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)on2)C12CCC2 ZINC001078543196 1084743392 /nfs/dbraw/zinc/74/33/92/1084743392.db2.gz LLRZCHFXEWYVEV-QWHCGFSZSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cccn2C)C12CCC2 ZINC001078559663 1084745816 /nfs/dbraw/zinc/74/58/16/1084745816.db2.gz ZZVVGAXFBIUINE-ZIAGYGMSSA-N 0 3 307.825 2.408 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C12CCC2 ZINC001078573745 1084752237 /nfs/dbraw/zinc/75/22/37/1084752237.db2.gz NJTZUCMSJSSTAE-UONOGXRCSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2nn(C)cc2C)C12CCC2 ZINC001078625663 1084770901 /nfs/dbraw/zinc/77/09/01/1084770901.db2.gz DKGVRWAWEXYTKU-OLZOCXBDSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)cnn2C)C12CCC2 ZINC001078704064 1084817218 /nfs/dbraw/zinc/81/72/18/1084817218.db2.gz ZXPJIYPVNTZBTE-QWHCGFSZSA-N 0 3 322.840 2.112 20 30 DEEDHN COc1ccccc1C[C@](C)(CO)NCc1cc(C#N)ccn1 ZINC001363290348 1126184178 /nfs/dbraw/zinc/18/41/78/1126184178.db2.gz RZZDCZGSFNNQNS-GOSISDBHSA-N 0 3 311.385 2.045 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C12CCC2 ZINC001078801207 1084885746 /nfs/dbraw/zinc/88/57/46/1084885746.db2.gz SCQSUMMKQHDFOD-QWHCGFSZSA-N 0 3 321.808 2.170 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)NCc1cc(C)ccc1F ZINC001485869206 1084943722 /nfs/dbraw/zinc/94/37/22/1084943722.db2.gz VCDCNQOYFLCHGU-KDOFPFPSSA-N 0 3 322.424 2.398 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001485876281 1084958853 /nfs/dbraw/zinc/95/88/53/1084958853.db2.gz HIQQSLSJNWILIP-OWCLPIDISA-N 0 3 308.466 2.145 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)CC(C)(C)CC(F)F ZINC001485900958 1084969132 /nfs/dbraw/zinc/96/91/32/1084969132.db2.gz HTSGXTDTWQRATP-ZDUSSCGKSA-N 0 3 318.408 2.144 20 30 DEEDHN Cc1conc1C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001485942758 1085009500 /nfs/dbraw/zinc/00/95/00/1085009500.db2.gz VCBNICFFAXYNOW-HNNXBMFYSA-N 0 3 311.385 2.085 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cnoc1-c1ccccc1 ZINC001485943415 1085011165 /nfs/dbraw/zinc/01/11/65/1085011165.db2.gz VPOLBCSNAXQOQT-AWEZNQCLSA-N 0 3 311.385 2.415 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)N[C@H]1CCCc2ccccc21 ZINC001485980132 1085019881 /nfs/dbraw/zinc/01/98/81/1085019881.db2.gz RMFXGGPFDQPPGC-RDJZCZTQSA-N 0 3 302.418 2.097 20 30 DEEDHN C#CCCCC(=O)NC[C@H](CO)N[C@H](C)c1cc(C)ccc1C ZINC001485991516 1085026567 /nfs/dbraw/zinc/02/65/67/1085026567.db2.gz SJKMYXCIBBABHP-IAGOWNOFSA-N 0 3 316.445 2.235 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](CO)N[C@@H]1CCc2ccccc21 ZINC001486037161 1085037684 /nfs/dbraw/zinc/03/76/84/1085037684.db2.gz CIFADMRTINLMSC-NVXWUHKLSA-N 0 3 316.445 2.343 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001486115715 1085073063 /nfs/dbraw/zinc/07/30/63/1085073063.db2.gz SWMTUMNQLKHFFW-DOMZBBRYSA-N 0 3 311.385 2.352 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2oc(CCC)nc2C)C1 ZINC001486125856 1085075145 /nfs/dbraw/zinc/07/51/45/1085075145.db2.gz BBVISXYBOSDYTA-OCCSQVGLSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCCOCc2ccccc2)C1 ZINC001486122279 1085077212 /nfs/dbraw/zinc/07/72/12/1085077212.db2.gz QDJWMSNWELEVJJ-FUHWJXTLSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCCOCc2ccccc2)C1 ZINC001486122281 1085077300 /nfs/dbraw/zinc/07/73/00/1085077300.db2.gz QDJWMSNWELEVJJ-WMZOPIPTSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](CNCc2cnc(C)o2)C1 ZINC001486197326 1085124592 /nfs/dbraw/zinc/12/45/92/1085124592.db2.gz HAEBXDXAYXVWAZ-GJZGRUSLSA-N 0 3 303.406 2.161 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnsn1 ZINC000960252155 1085164642 /nfs/dbraw/zinc/16/46/42/1085164642.db2.gz GWRQYSWCQGCVJX-UKRRQHHQSA-N 0 3 314.414 2.100 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)nn1C ZINC000960252159 1085165368 /nfs/dbraw/zinc/16/53/68/1085165368.db2.gz GXRDCMJNEAUGET-SJLPKXTDSA-N 0 3 324.428 2.290 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnc(F)c1 ZINC000960256140 1085167761 /nfs/dbraw/zinc/16/77/61/1085167761.db2.gz WAXZQAVVUDGGOG-NVXWUHKLSA-N 0 3 311.360 2.392 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncc(F)c1 ZINC000960261873 1085171621 /nfs/dbraw/zinc/17/16/21/1085171621.db2.gz XTNQZPXAGALWGY-IAGOWNOFSA-N 0 3 311.360 2.392 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1OCC[C@H]1C ZINC000960304542 1085188647 /nfs/dbraw/zinc/18/86/47/1085188647.db2.gz QICPMMBEGAAHRT-PILAGYSTSA-N 0 3 314.429 2.359 20 30 DEEDHN CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(OCC#N)cc1 ZINC000960337233 1085203301 /nfs/dbraw/zinc/20/33/01/1085203301.db2.gz OUGBNNDOXJRXSA-MRXNPFEDSA-N 0 3 315.417 2.422 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)CCc1cccc(Cl)c1 ZINC001486342344 1085221460 /nfs/dbraw/zinc/22/14/60/1085221460.db2.gz AJKQVVJOAFOYJM-MRXNPFEDSA-N 0 3 324.852 2.210 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1coc(OCC)n1)C(C)C ZINC001486371105 1085242831 /nfs/dbraw/zinc/24/28/31/1085242831.db2.gz JFAMTKAAWUVKJA-UHFFFAOYSA-N 0 3 309.410 2.432 20 30 DEEDHN C=C(Br)CNC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001486392123 1085272951 /nfs/dbraw/zinc/27/29/51/1085272951.db2.gz YAXOPTSYDITIAN-MWLCHTKSSA-N 0 3 316.243 2.175 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)Cc2ccc(OC)cc2)CC1 ZINC001486450862 1085320780 /nfs/dbraw/zinc/32/07/80/1085320780.db2.gz QIIWUNGQRDZXLR-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)c1cnco1 ZINC000960770732 1085441015 /nfs/dbraw/zinc/44/10/15/1085441015.db2.gz ULERBRSWLLBTRP-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001128242506 1085640629 /nfs/dbraw/zinc/64/06/29/1085640629.db2.gz RFPAHOBBJRACHI-UHFFFAOYSA-N 0 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ZINC001128705902 1086339413 /nfs/dbraw/zinc/33/94/13/1086339413.db2.gz YAIWVGWMWRQZSG-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2N(C)C)C1 ZINC001033702710 1086349711 /nfs/dbraw/zinc/34/97/11/1086349711.db2.gz QSLUZKIEEPGTHS-OAHLLOKOSA-N 0 3 301.434 2.475 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2[nH]ccc2C2CC2)c1 ZINC001129083135 1086593882 /nfs/dbraw/zinc/59/38/82/1086593882.db2.gz XLWXRAJGDIRJGW-UHFFFAOYSA-N 0 3 308.385 2.283 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001079009226 1086855766 /nfs/dbraw/zinc/85/57/66/1086855766.db2.gz OBJMNGBISLFIOH-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001487379924 1087217133 /nfs/dbraw/zinc/21/71/33/1087217133.db2.gz QSSUEMMQBWJNCP-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCC(=O)NC1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001064554258 1087617488 /nfs/dbraw/zinc/61/74/88/1087617488.db2.gz NRLYTLVYCLOOHM-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001090330159 1087682711 /nfs/dbraw/zinc/68/27/11/1087682711.db2.gz SENMWEJBAGQZQJ-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C(C)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC001079148124 1087725855 /nfs/dbraw/zinc/72/58/55/1087725855.db2.gz BDQNLPJIOQNECF-LSDHHAIUSA-N 0 3 324.346 2.388 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001490877784 1088098058 /nfs/dbraw/zinc/09/80/58/1088098058.db2.gz XYCVMVBGDZHTSO-DJIMGWMZSA-N 0 3 316.470 2.274 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001114728673 1088304281 /nfs/dbraw/zinc/30/42/81/1088304281.db2.gz IGNOTLFGAXUZIW-KBEGMRNHSA-N 0 3 306.450 2.204 20 30 DEEDHN CCN(Cc1cnc(C)o1)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957692043 1088550511 /nfs/dbraw/zinc/55/05/11/1088550511.db2.gz KLQRGKCWCHSSIZ-ZDUSSCGKSA-N 0 3 318.421 2.203 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(CCOCC4CCC4)C[C@H]32)C1 ZINC001114805320 1088588018 /nfs/dbraw/zinc/58/80/18/1088588018.db2.gz AZTDKZUAVYWAHY-FVQHAEBGSA-N 0 3 318.461 2.206 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001080062011 1088599136 /nfs/dbraw/zinc/59/91/36/1088599136.db2.gz XACINZUMFOGZAI-RHSMWYFYSA-N 0 3 302.418 2.459 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OC1CCCCCC1 ZINC001114812350 1088703307 /nfs/dbraw/zinc/70/33/07/1088703307.db2.gz GPIBBORVAAWJAO-SIXLDLHFSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccccc2C(C)C)[C@H](O)C1 ZINC000958125966 1088805584 /nfs/dbraw/zinc/80/55/84/1088805584.db2.gz FNFJNWVVMKEDCJ-RHSMWYFYSA-N 0 3 302.418 2.019 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(C[C@H]3CCCCO3)C[C@H]2C)C1 ZINC001080404693 1088912491 /nfs/dbraw/zinc/91/24/91/1088912491.db2.gz VHVMKGJSBCUMDH-BZUAXINKSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC000958366977 1088942745 /nfs/dbraw/zinc/94/27/45/1088942745.db2.gz WZXFCZRIRCIWRL-ZWKOTPCHSA-N 0 3 316.445 2.238 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000958514869 1089035480 /nfs/dbraw/zinc/03/54/80/1089035480.db2.gz DWYIHHDRAFKGGB-QAETUUGQSA-N 0 3 308.466 2.044 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc3cncn32)C1 ZINC001080545049 1089039160 /nfs/dbraw/zinc/03/91/60/1089039160.db2.gz NEHLLJBTDKPJAT-VXGBXAGGSA-N 0 3 304.419 2.022 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC000958554684 1089054388 /nfs/dbraw/zinc/05/43/88/1089054388.db2.gz HLFFNSSDWZMNPC-HOCLYGCPSA-N 0 3 320.433 2.310 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001080605782 1089089394 /nfs/dbraw/zinc/08/93/94/1089089394.db2.gz NKTQRVBFSQHODS-CXAGYDPISA-N 0 3 300.402 2.343 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001080620827 1089096167 /nfs/dbraw/zinc/09/61/67/1089096167.db2.gz BWTHNZAFMRXWJZ-LALPHHSUSA-N 0 3 305.422 2.408 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(CC)c(CC)c2)C1 ZINC000958769012 1089170432 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1090488577 /nfs/dbraw/zinc/48/85/77/1090488577.db2.gz MXRLGAOSJHEMIK-NVXWUHKLSA-N 0 3 316.449 2.495 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001099849485 1090527533 /nfs/dbraw/zinc/52/75/33/1090527533.db2.gz GCGNSDKKUZKSAR-KGLIPLIRSA-N 0 3 314.857 2.283 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C[C@@H]21 ZINC001085039801 1090609436 /nfs/dbraw/zinc/60/94/36/1090609436.db2.gz QXJLJLBMCZXNIT-FPCVCCKLSA-N 0 3 300.402 2.492 20 30 DEEDHN CCN(CCNCc1cccc(F)c1)C(=O)CSCC#N ZINC001273275612 1090705663 /nfs/dbraw/zinc/70/56/63/1090705663.db2.gz YCBVNWZGNLXNCF-UHFFFAOYSA-N 0 3 309.410 2.021 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c[nH]nc1C(C)(C)C ZINC001273356374 1091079632 /nfs/dbraw/zinc/07/96/32/1091079632.db2.gz NICSEMMIPJFZJD-HUUCEWRRSA-N 0 3 316.449 2.459 20 30 DEEDHN C=CC(C)(C)C(=O)NC/C=C/CNCc1ccnc(N(C)C)c1 ZINC001274263806 1091157059 /nfs/dbraw/zinc/15/70/59/1091157059.db2.gz UMGPXSHOBDVAMV-BQYQJAHWSA-N 0 3 316.449 2.122 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccn3nccc3c1)CC2 ZINC001274321701 1091189874 /nfs/dbraw/zinc/18/98/74/1091189874.db2.gz SSJPRCQWSHLXLZ-QGZVFWFLSA-N 0 3 324.428 2.239 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNCc1csc(C)c1 ZINC001274378158 1091213521 /nfs/dbraw/zinc/21/35/21/1091213521.db2.gz LKXZXRPHSNHHJW-MSNYOWOLSA-N 0 3 320.458 2.410 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001274439355 1091245096 /nfs/dbraw/zinc/24/50/96/1091245096.db2.gz TUJXCHZWCCDRBX-AATRIKPKSA-N 0 3 309.413 2.304 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)cc(OC)c1 ZINC001273414603 1091283312 /nfs/dbraw/zinc/28/33/12/1091283312.db2.gz FUVKITSBSGHANS-QZTJIDSGSA-N 0 3 312.413 2.202 20 30 DEEDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274578923 1091309872 /nfs/dbraw/zinc/30/98/72/1091309872.db2.gz ALKVBGTXYIOHSA-KBXCAEBGSA-N 0 3 312.417 2.176 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001411238452 1091454258 /nfs/dbraw/zinc/45/42/58/1091454258.db2.gz FHEHLZWPOKVWLF-VCANKDNSSA-N 0 3 324.856 2.245 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001274924524 1091476473 /nfs/dbraw/zinc/47/64/73/1091476473.db2.gz SCYCQEOBGYAPON-MRXNPFEDSA-N 0 3 306.450 2.252 20 30 DEEDHN C=CCCCN1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1C=CCC=C1C ZINC001274959493 1091494401 /nfs/dbraw/zinc/49/44/01/1091494401.db2.gz XZPBRNSXJASKBE-KURKYZTESA-N 0 3 316.445 2.387 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(CC(C)C)s2)CCO1 ZINC001280595290 1091505525 /nfs/dbraw/zinc/50/55/25/1091505525.db2.gz JJWRLAVNXQUKLE-CQSZACIVSA-N 0 3 320.458 2.010 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)CCC)CC[C@H]1C(F)(F)F ZINC001279173219 1091512914 /nfs/dbraw/zinc/51/29/14/1091512914.db2.gz NEJKPEKNLVCMMZ-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C#Cc1cccc(CN2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c1 ZINC001276096365 1091547355 /nfs/dbraw/zinc/54/73/55/1091547355.db2.gz IDJRJEARIPVJIJ-ZWKOTPCHSA-N 0 3 311.429 2.292 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC001276137626 1091589306 /nfs/dbraw/zinc/58/93/06/1091589306.db2.gz YMRBLWVWHFOLBR-IAQYHMDHSA-N 0 3 324.856 2.266 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc(N(C)C)c1 ZINC001275159710 1091590516 /nfs/dbraw/zinc/59/05/16/1091590516.db2.gz FZXXXUNSVPFVOT-QGZVFWFLSA-N 0 3 301.434 2.475 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc2nsnc21 ZINC001275160351 1091590938 /nfs/dbraw/zinc/59/09/38/1091590938.db2.gz MATPMWDFGHEKIW-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)[C@@H](C)NCC#Cc2ccccc2)on1 ZINC001275350309 1091682935 /nfs/dbraw/zinc/68/29/35/1091682935.db2.gz ZZPXQNSGRBEZMF-HUUCEWRRSA-N 0 3 311.385 2.131 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001490836454 1091810908 /nfs/dbraw/zinc/81/09/08/1091810908.db2.gz DHOJBZOCPRSIFY-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2c[nH]c3cnccc23)CC1 ZINC000948711246 1091894764 /nfs/dbraw/zinc/89/47/64/1091894764.db2.gz ODJRBSKHESLLKL-MRXNPFEDSA-N 0 3 324.428 2.052 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000948722188 1091901511 /nfs/dbraw/zinc/90/15/11/1091901511.db2.gz IOANBTUNHFMNMK-SJLPKXTDSA-N 0 3 314.404 2.412 20 30 DEEDHN CCCC1(C(=O)N(C)CCCN(C)CC#CCOC)CCC1 ZINC001273547621 1091917090 /nfs/dbraw/zinc/91/70/90/1091917090.db2.gz DALUGULFRGGOIC-UHFFFAOYSA-N 0 3 308.466 2.387 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cccc(F)c3OC)C2)C1=O ZINC001273554994 1091920796 /nfs/dbraw/zinc/92/07/96/1091920796.db2.gz HIBCYUBPQBTBGB-SFHVURJKSA-N 0 3 318.392 2.445 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000948804344 1091946081 /nfs/dbraw/zinc/94/60/81/1091946081.db2.gz KIKISFULOVFTQX-OAHLLOKOSA-N 0 3 314.433 2.237 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000948902045 1091990280 /nfs/dbraw/zinc/99/02/80/1091990280.db2.gz KMCAPXQYIUJAAL-AEFFLSMTSA-N 0 3 314.429 2.315 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1c(C)coc1C)CCO2 ZINC000949081011 1092046098 /nfs/dbraw/zinc/04/60/98/1092046098.db2.gz MKGMRWLEJXEQRZ-UHFFFAOYSA-N 0 3 318.417 2.389 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@]1(C)C=CCC1)CCO2 ZINC000949159495 1092059945 /nfs/dbraw/zinc/05/99/45/1092059945.db2.gz UIZKXXAJMMMXQE-GOSISDBHSA-N 0 3 316.445 2.059 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)c1ccco1)CCO2 ZINC000949189496 1092067316 /nfs/dbraw/zinc/06/73/16/1092067316.db2.gz XHBSLTXAMPMPPS-HNNXBMFYSA-N 0 3 318.417 2.263 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H]3CC3(C)C)CC2)C1 ZINC000949343742 1092116737 /nfs/dbraw/zinc/11/67/37/1092116737.db2.gz PHOVPJOOOLLOCG-HNNXBMFYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N(C)CCOCC(F)F)CC1 ZINC001275919494 1092310389 /nfs/dbraw/zinc/31/03/89/1092310389.db2.gz DKSFFTHDJCIYOK-ZDUSSCGKSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001275936338 1092348425 /nfs/dbraw/zinc/34/84/25/1092348425.db2.gz OLKRKWXBEMOBFI-AWEZNQCLSA-N 0 3 315.417 2.421 20 30 DEEDHN C#CCCCN1CC2(C1)CCN(C(=O)Nc1c(C)noc1C)C2 ZINC001275978174 1092428707 /nfs/dbraw/zinc/42/87/07/1092428707.db2.gz LKCQXEXHHFRHKQ-UHFFFAOYSA-N 0 3 316.405 2.244 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001488676892 1092679427 /nfs/dbraw/zinc/67/94/27/1092679427.db2.gz OUBGOARNYQUHDF-GJZGRUSLSA-N 0 3 317.433 2.184 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cncnc1CC ZINC001488689245 1092688540 /nfs/dbraw/zinc/68/85/40/1092688540.db2.gz KMRDAOFGDYQSLX-AWEZNQCLSA-N 0 3 302.422 2.152 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001488660738 1092698362 /nfs/dbraw/zinc/69/83/62/1092698362.db2.gz XPBDVWJARMMBEZ-MAUKXSAKSA-N 0 3 323.481 2.016 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCC2CCOCC2)C1 ZINC001488776738 1092747046 /nfs/dbraw/zinc/74/70/46/1092747046.db2.gz DJOUNTPERSNMTB-GASCZTMLSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N(CC=C(C)C)CCO)C1 ZINC001489163057 1092961007 /nfs/dbraw/zinc/96/10/07/1092961007.db2.gz JBZQGMJUNPOVFB-INIZCTEOSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCn2nc(C)cc2C)[C@@H]1C ZINC001489283337 1093002161 /nfs/dbraw/zinc/00/21/61/1093002161.db2.gz ZKHFPCMJTBDGLC-CVEARBPZSA-N 0 3 318.465 2.291 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001489288716 1093004770 /nfs/dbraw/zinc/00/47/70/1093004770.db2.gz LHDPTBWQWDSVAN-HFTRVMKXSA-N 0 3 318.465 2.144 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)c2ccco2)[C@H]1C ZINC001489291845 1093007584 /nfs/dbraw/zinc/00/75/84/1093007584.db2.gz SLGCNMXZLIMCRU-ZNMIVQPWSA-N 0 3 306.406 2.165 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001489694201 1093078452 /nfs/dbraw/zinc/07/84/52/1093078452.db2.gz FOMWUACEMIZLSA-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN CCN(CCCNC(=O)C#CC1CC1)Cc1cnc(C)s1 ZINC001490324284 1093310456 /nfs/dbraw/zinc/31/04/56/1093310456.db2.gz GRHZVETVHGMIBJ-UHFFFAOYSA-N 0 3 305.447 2.193 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)COc2ccc(C)cc2)CC1 ZINC001490421663 1093373470 /nfs/dbraw/zinc/37/34/70/1093373470.db2.gz KXPNXJYHIIDLQM-UHFFFAOYSA-N 0 3 302.418 2.483 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001495370947 1093380877 /nfs/dbraw/zinc/38/08/77/1093380877.db2.gz NJFWYPDSPIOVMX-HNNXBMFYSA-N 0 3 324.856 2.244 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)CC2CCCC2)CC1 ZINC001490462971 1093397280 /nfs/dbraw/zinc/39/72/80/1093397280.db2.gz YIJJLBQLGHMIHG-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cc2cnoc2)CC1 ZINC001490620514 1093448771 /nfs/dbraw/zinc/44/87/71/1093448771.db2.gz WZYSWRSDXYLTNC-UHFFFAOYSA-N 0 3 305.422 2.496 20 30 DEEDHN CC#CCCCC(=O)N(C)CCNCc1ccc(Cl)nc1 ZINC001317621183 1093547070 /nfs/dbraw/zinc/54/70/70/1093547070.db2.gz GQWVQSBMXRWERW-UHFFFAOYSA-N 0 3 307.825 2.477 20 30 DEEDHN CCc1nc(C(=O)NC/C=C/CNCc2ccc(C#N)cc2)co1 ZINC001273975176 1093696367 /nfs/dbraw/zinc/69/63/67/1093696367.db2.gz RUMXDKOLCZJZPH-ONEGZZNKSA-N 0 3 324.384 2.184 20 30 DEEDHN C=CCCCCCC[C@H](O)CNCC(=O)NCC(F)(F)F ZINC001253254075 1093704021 /nfs/dbraw/zinc/70/40/21/1093704021.db2.gz MGZDHDICWBMZIQ-LBPRGKRZSA-N 0 3 310.360 2.142 20 30 DEEDHN COCc1cccc(CNC/C=C\CNC(=O)C#CC(C)C)c1 ZINC001274010205 1093763359 /nfs/dbraw/zinc/76/33/59/1093763359.db2.gz ONLYRXSCAZGXSC-PLNGDYQASA-N 0 3 314.429 2.254 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cnc(C)c(C)c1)CC2 ZINC001274083843 1093792754 /nfs/dbraw/zinc/79/27/54/1093792754.db2.gz GAROBVSVRBQXBI-KRWDZBQOSA-N 0 3 311.429 2.050 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc3cncn32)C1=O ZINC001274111332 1093803142 /nfs/dbraw/zinc/80/31/42/1093803142.db2.gz WCLLQRGFGZMUAJ-GOSISDBHSA-N 0 3 310.401 2.087 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnc(C)o3)CC2)C1=O ZINC001274160164 1093828645 /nfs/dbraw/zinc/82/86/45/1093828645.db2.gz UERVFYQAUBUMJC-KRWDZBQOSA-N 0 3 303.406 2.374 20 30 DEEDHN C[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001274166051 1093830947 /nfs/dbraw/zinc/83/09/47/1093830947.db2.gz XXPLEAVKHVXZHP-SWLSCSKDSA-N 0 3 324.346 2.269 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@H](CCC)c2ccccc2)CCO1 ZINC001280667010 1093843387 /nfs/dbraw/zinc/84/33/87/1093843387.db2.gz IABBBKVYOBGMFB-ROUUACIJSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(CO)cc1 ZINC001329523862 1148913148 /nfs/dbraw/zinc/91/31/48/1148913148.db2.gz LUYQGZSQZHLOEX-CQSZACIVSA-N 0 3 304.434 2.328 20 30 DEEDHN COC(=O)Cc1cccc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001237481637 1138652834 /nfs/dbraw/zinc/65/28/34/1138652834.db2.gz QVEDQZKUJLLHMY-HNNXBMFYSA-N 0 3 317.410 2.176 20 30 DEEDHN COC(=O)Cc1cccc(CN2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001237481637 1138652839 /nfs/dbraw/zinc/65/28/39/1138652839.db2.gz QVEDQZKUJLLHMY-HNNXBMFYSA-N 0 3 317.410 2.176 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](CO)N[C@H](C)c1cccc(F)c1 ZINC001278137891 1138772154 /nfs/dbraw/zinc/77/21/54/1138772154.db2.gz JUIRGCMYCRJJOC-RHSMWYFYSA-N 0 3 320.408 2.147 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CO)NCc1cc(C)cc(C)c1 ZINC001278148425 1138795902 /nfs/dbraw/zinc/79/59/02/1138795902.db2.gz VDEXTWNPYWYRER-MJGOQNOKSA-N 0 3 318.461 2.472 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CN[C@@H](C)C(=O)N(C)C)C1CCCC1 ZINC001278241104 1138853495 /nfs/dbraw/zinc/85/34/95/1138853495.db2.gz KQVFJIVXZZZGRS-HOCLYGCPSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1ccc(NC(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC001239231586 1139001008 /nfs/dbraw/zinc/00/10/08/1139001008.db2.gz RGTILMHWKPHNAU-QGZVFWFLSA-N 0 3 306.369 2.394 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001293790802 1139039039 /nfs/dbraw/zinc/03/90/39/1139039039.db2.gz DGKSRMAPSWBBAR-GDBMZVCRSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cc(-c2cc(/C=N/[O-])ccc2F)cnc1N1CC[NH2+]CC1 ZINC001239739985 1139100975 /nfs/dbraw/zinc/10/09/75/1139100975.db2.gz ZUZMYXSGIFAHBE-UFFVCSGVSA-N 0 3 314.364 2.414 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001295259154 1139361523 /nfs/dbraw/zinc/36/15/23/1139361523.db2.gz WAXWWVWMWAUQCM-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001295488037 1139403758 /nfs/dbraw/zinc/40/37/58/1139403758.db2.gz GDQUNGIEMWZSTO-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4nccc(C#N)n4)cc3)CC2)CC1 ZINC001240573925 1139435501 /nfs/dbraw/zinc/43/55/01/1139435501.db2.gz WYRGSORGRJIZMP-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001296440392 1139788403 /nfs/dbraw/zinc/78/84/03/1139788403.db2.gz FFTNFQXEWJQRMF-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001296930749 1139833272 /nfs/dbraw/zinc/83/32/72/1139833272.db2.gz DKWYVZQKYIUFJX-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cccnc1C#N ZINC001242309255 1139890580 /nfs/dbraw/zinc/89/05/80/1139890580.db2.gz QNHQUJIAJOORNE-UHFFFAOYSA-N 0 3 309.373 2.459 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)[C@H](CC)CCC)CC2)C1 ZINC001278350479 1140010878 /nfs/dbraw/zinc/01/08/78/1140010878.db2.gz XIQXWGXOUDGOSE-SJORKVTESA-N 0 3 307.482 2.217 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(F)cc2F)C1 ZINC001278369993 1140235284 /nfs/dbraw/zinc/23/52/84/1140235284.db2.gz BTUBNNGBWOMVCP-WFASDCNBSA-N 0 3 306.356 2.110 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CCCc1sccc1C ZINC001491655450 1140264968 /nfs/dbraw/zinc/26/49/68/1140264968.db2.gz WMPGWQCXTOLKQH-HNNXBMFYSA-N 0 3 322.474 2.123 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCc2c(C)noc2C)C1 ZINC001318491645 1140349619 /nfs/dbraw/zinc/34/96/19/1140349619.db2.gz KGNRVBZSIOIZKW-MRXNPFEDSA-N 0 3 317.433 2.170 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCc2c(C)noc2C)C1 ZINC001318491644 1140350028 /nfs/dbraw/zinc/35/00/28/1140350028.db2.gz KGNRVBZSIOIZKW-INIZCTEOSA-N 0 3 317.433 2.170 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CC)N[C@H](C)C(=O)NC)CCCCC1 ZINC001318604687 1140372346 /nfs/dbraw/zinc/37/23/46/1140372346.db2.gz FEWTYGOEWUBISS-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2cnc(C)cn2)CC1 ZINC001318949468 1140477316 /nfs/dbraw/zinc/47/73/16/1140477316.db2.gz XGTBATLOTXTFAE-WKILWMFISA-N 0 3 314.433 2.106 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cncc(F)c2)cc1 ZINC001318991205 1140488085 /nfs/dbraw/zinc/48/80/85/1140488085.db2.gz SCFBZXVDRJNTDL-UHFFFAOYSA-N 0 3 311.360 2.264 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]1CNCc1cc(C)ccc1F ZINC001319058832 1140497199 /nfs/dbraw/zinc/49/71/99/1140497199.db2.gz VUFFSTONBLFNAY-MRXNPFEDSA-N 0 3 320.408 2.417 20 30 DEEDHN COCC#CCN1CCC2(C1)CCN(C(=O)CCC(C)C)CC2 ZINC001319140503 1140512196 /nfs/dbraw/zinc/51/21/96/1140512196.db2.gz YQQOTKFOZBHJHZ-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN COCC#CCN1CCC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001319139238 1140512230 /nfs/dbraw/zinc/51/22/30/1140512230.db2.gz HAKKWRNXTUFXQG-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(CCOC[C@H]2CCCO2)C1 ZINC001278397650 1140529283 /nfs/dbraw/zinc/52/92/83/1140529283.db2.gz UQXOUJFDNFNHIV-SJLPKXTDSA-N 0 3 324.465 2.119 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1cccc(C(F)F)c1 ZINC001319561859 1140616044 /nfs/dbraw/zinc/61/60/44/1140616044.db2.gz DXCHBADKMPXQNV-CYBMUJFWSA-N 0 3 324.371 2.324 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001278405893 1140632354 /nfs/dbraw/zinc/63/23/54/1140632354.db2.gz QHBJQBSEAZPIAC-RDJZCZTQSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001278411301 1140773497 /nfs/dbraw/zinc/77/34/97/1140773497.db2.gz TWGYQVBTYAIPLW-QGZVFWFLSA-N 0 3 306.381 2.143 20 30 DEEDHN Cc1ncc(CN[C@@H](CNC(=O)C#CC(C)C)C(C)C)s1 ZINC001319910153 1140802143 /nfs/dbraw/zinc/80/21/43/1140802143.db2.gz FDPDISAFTAGTGP-HNNXBMFYSA-N 0 3 307.463 2.341 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001320060142 1140817233 /nfs/dbraw/zinc/81/72/33/1140817233.db2.gz CGRIWIZEZJQFLS-CQSZACIVSA-N 0 3 300.402 2.037 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001320084105 1140819468 /nfs/dbraw/zinc/81/94/68/1140819468.db2.gz CWFRGGNILVYCLN-UHFFFAOYSA-N 0 3 302.378 2.168 20 30 DEEDHN C=CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001320115634 1140823975 /nfs/dbraw/zinc/82/39/75/1140823975.db2.gz BZLVXIXKSZDCTH-GOEBONIOSA-N 0 3 318.417 2.083 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](O)CNCc2ccccc2Cl)C1 ZINC001320275161 1140843619 /nfs/dbraw/zinc/84/36/19/1140843619.db2.gz UDBGQZYKGRSGBD-CQSZACIVSA-N 0 3 322.836 2.263 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C2CCC2)cc1F ZINC001320940211 1141000144 /nfs/dbraw/zinc/00/01/44/1141000144.db2.gz MFHNIEMDDJVIIG-OWOJBTEDSA-N 0 3 301.365 2.259 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccc(Cl)[nH]1 ZINC001321636838 1141320396 /nfs/dbraw/zinc/32/03/96/1141320396.db2.gz AHUFPSHCQQBDLA-CYBMUJFWSA-N 0 3 315.804 2.428 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc([C@H]2CCCO2)n1 ZINC001322155353 1141418281 /nfs/dbraw/zinc/41/82/81/1141418281.db2.gz BWZPIBOEZGSAJQ-DGCLKSJQSA-N 0 3 309.435 2.231 20 30 DEEDHN Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)C#CC1CC1 ZINC001322159320 1141422577 /nfs/dbraw/zinc/42/25/77/1141422577.db2.gz ZLIYAZLTPNPWRA-CQSZACIVSA-N 0 3 302.393 2.484 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ccc(F)s1 ZINC001322307697 1141513589 /nfs/dbraw/zinc/51/35/89/1141513589.db2.gz RQRZJBFQKPMECJ-NSHDSACASA-N 0 3 300.399 2.140 20 30 DEEDHN C#CCCCC(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001322484239 1141606333 /nfs/dbraw/zinc/60/63/33/1141606333.db2.gz YBKOZYPSCRBWDY-UHFFFAOYSA-N 0 3 315.392 2.439 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)C#CC2CC2)C2CC2)s1 ZINC001322991887 1141794885 /nfs/dbraw/zinc/79/48/85/1141794885.db2.gz PNGRKAWHBJNEFF-MRXNPFEDSA-N 0 3 313.426 2.018 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001323339149 1141843689 /nfs/dbraw/zinc/84/36/89/1141843689.db2.gz DTFHMWJMHDUKJJ-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)COc1ccc(F)c(F)c1 ZINC001323372377 1141846966 /nfs/dbraw/zinc/84/69/66/1141846966.db2.gz VNMOCRBVUMUBMW-GFCCVEGCSA-N 0 3 310.344 2.110 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)[C@@H](C)COC)C1CCN(CC=C)CC1 ZINC001324396127 1142069546 /nfs/dbraw/zinc/06/95/46/1142069546.db2.gz DNYZLMPSSUIVSH-HOTGVXAUSA-N 0 3 306.450 2.017 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)OCC)C2 ZINC001324548896 1142098654 /nfs/dbraw/zinc/09/86/54/1142098654.db2.gz IKNNTZRPSDEWCJ-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCOC[C@@H](O)CNCc1c(Cl)cccc1C(F)(F)F ZINC001251888388 1142534151 /nfs/dbraw/zinc/53/41/51/1142534151.db2.gz STDAJSWPMOSBQO-JTQLQIEISA-N 0 3 321.726 2.459 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2c[nH]c3ccc(C)cc23)CC1 ZINC001336759182 1142563644 /nfs/dbraw/zinc/56/36/44/1142563644.db2.gz FUILQVSPVXVGED-UHFFFAOYSA-N 0 3 323.440 2.480 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(F)cn2)C1 ZINC001278660021 1142683630 /nfs/dbraw/zinc/68/36/30/1142683630.db2.gz ZDSUJXDXNMSZDQ-QGZVFWFLSA-N 0 3 303.381 2.076 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001252453210 1142717378 /nfs/dbraw/zinc/71/73/78/1142717378.db2.gz HOJHUYSLBOHKOI-KRWDZBQOSA-N 0 3 321.392 2.284 20 30 DEEDHN C=CCOC[C@H](O)CN1CCC2(CC(=O)c3ccccc32)CC1 ZINC001252471195 1142725035 /nfs/dbraw/zinc/72/50/35/1142725035.db2.gz CZYJBOYECMINJR-OAHLLOKOSA-N 0 3 315.413 2.170 20 30 DEEDHN C=C[C@@](C)(O)CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001252549674 1142759278 /nfs/dbraw/zinc/75/92/78/1142759278.db2.gz GSPXHDNDQFZTQB-LJQANCHMSA-N 0 3 324.428 2.236 20 30 DEEDHN CCC(C#N)(CC)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252950186 1142832952 /nfs/dbraw/zinc/83/29/52/1142832952.db2.gz FTZDOQMQBIFSPG-SFHVURJKSA-N 0 3 301.434 2.295 20 30 DEEDHN N#Cc1cncc(CNC[C@H](O)CCOCc2ccccc2)c1 ZINC001253296406 1142862275 /nfs/dbraw/zinc/86/22/75/1142862275.db2.gz QKQAUGVRBRPREM-GOSISDBHSA-N 0 3 311.385 2.011 20 30 DEEDHN C=CCN(c1nnc([C@H]2CCCN(C)C2)n1CC=C)C1CC1 ZINC001338692459 1142871109 /nfs/dbraw/zinc/87/11/09/1142871109.db2.gz BBZAJRXCTOPFAH-AWEZNQCLSA-N 0 3 301.438 2.428 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001278747660 1143002890 /nfs/dbraw/zinc/00/28/90/1143002890.db2.gz RCDDJBRSMXVKDB-KBPBESRZSA-N 0 3 318.408 2.045 20 30 DEEDHN C#CC[C@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2CC)C1 ZINC001339614241 1143064622 /nfs/dbraw/zinc/06/46/22/1143064622.db2.gz BCJWOIKACZIUGB-JKSUJKDBSA-N 0 3 315.465 2.347 20 30 DEEDHN COc1ccnc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC001254678274 1143311556 /nfs/dbraw/zinc/31/15/56/1143311556.db2.gz ZYAIVORLPPLPIG-STQMWFEESA-N 0 3 302.378 2.021 20 30 DEEDHN C[C@@H](CC#N)NC1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255053095 1143395016 /nfs/dbraw/zinc/39/50/16/1143395016.db2.gz ASCSMXNEAKNNSV-FUDCBSFHSA-N 0 3 309.410 2.045 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341047133 1143529465 /nfs/dbraw/zinc/52/94/65/1143529465.db2.gz XLWHKYMVYMADKY-WOPDTQHZSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC001341329654 1143583319 /nfs/dbraw/zinc/58/33/19/1143583319.db2.gz WQJSOEDQEFVNMN-SJORKVTESA-N 0 3 302.418 2.490 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001341394253 1143593704 /nfs/dbraw/zinc/59/37/04/1143593704.db2.gz XXLFMLSVACTOAW-DAYGRLMNSA-N 0 3 322.449 2.356 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001341502302 1143615788 /nfs/dbraw/zinc/61/57/88/1143615788.db2.gz KTYRILDEHVZEFE-DLBZAZTESA-N 0 3 324.465 2.247 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC001341620126 1143642507 /nfs/dbraw/zinc/64/25/07/1143642507.db2.gz UICAQQUMEFGVDT-GFCCVEGCSA-N 0 3 304.369 2.044 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1CCC(OC)CC1 ZINC001255458529 1143646443 /nfs/dbraw/zinc/64/64/43/1143646443.db2.gz QEUBISAVCYRFPS-VMBOVVBDSA-N 0 3 319.449 2.480 20 30 DEEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](CF)C1 ZINC001342247937 1143806339 /nfs/dbraw/zinc/80/63/39/1143806339.db2.gz PBNJPZOQXDYQSS-GJZGRUSLSA-N 0 3 321.444 2.459 20 30 DEEDHN COCCOc1ncccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001342665224 1143829315 /nfs/dbraw/zinc/82/93/15/1143829315.db2.gz WHCKKXOMUQRPRX-GFCCVEGCSA-N 0 3 315.304 2.131 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCC(=O)[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC001256553493 1143853605 /nfs/dbraw/zinc/85/36/05/1143853605.db2.gz HSMRWXFEANHIIO-NJAFHUGGSA-N 0 3 311.429 2.454 20 30 DEEDHN C=C/C(C)=C/CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001278954116 1143860146 /nfs/dbraw/zinc/86/01/46/1143860146.db2.gz SZFCILFBYFESCP-PMURGSQPSA-N 0 3 316.445 2.128 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001278956244 1143861073 /nfs/dbraw/zinc/86/10/73/1143861073.db2.gz IQZJZRIWDPIOKK-QAPCUYQASA-N 0 3 319.449 2.029 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1nc(Cl)cs1)CCOC ZINC001279049459 1143955060 /nfs/dbraw/zinc/95/50/60/1143955060.db2.gz KJQWGJOOXHFUQB-UHFFFAOYSA-N 0 3 317.842 2.051 20 30 DEEDHN C[C@@H]1CCCN(C(=O)CCNCc2ccc(C#N)c(F)c2)C1 ZINC001261387778 1144240879 /nfs/dbraw/zinc/24/08/79/1144240879.db2.gz NMIUOUNDDJOQHZ-CYBMUJFWSA-N 0 3 303.381 2.436 20 30 DEEDHN C[C@H]1CCCN(C(=O)CCNCc2ccc(C#N)c(F)c2)C1 ZINC001261387779 1144241089 /nfs/dbraw/zinc/24/10/89/1144241089.db2.gz NMIUOUNDDJOQHZ-ZDUSSCGKSA-N 0 3 303.381 2.436 20 30 DEEDHN O[C@H](CNCC#C[C@@H]1CCCCO1)COc1ccc(Cl)cc1 ZINC001262577921 1144320691 /nfs/dbraw/zinc/32/06/91/1144320691.db2.gz BTPXBMPSJVJETF-CVEARBPZSA-N 0 3 323.820 2.242 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC001263075126 1144353864 /nfs/dbraw/zinc/35/38/64/1144353864.db2.gz GFHCEDZGZXSCOP-RISCZKNCSA-N 0 3 301.390 2.042 20 30 DEEDHN C=CCC[C@H]1CCCN1C(=O)NCCCCN1CCN(C)CC1 ZINC001263698746 1144389229 /nfs/dbraw/zinc/38/92/29/1144389229.db2.gz SJDAWIRCJNZMQU-KRWDZBQOSA-N 0 3 322.497 2.154 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001263812627 1144398774 /nfs/dbraw/zinc/39/87/74/1144398774.db2.gz QUSRGTYRYIWOSH-LLVKDONJSA-N 0 3 312.364 2.460 20 30 DEEDHN CC1(C(=O)NC[C@H]2C[C@H](NCC#Cc3ccc(F)cc3)C2)CC1 ZINC001263863133 1144415181 /nfs/dbraw/zinc/41/51/81/1144415181.db2.gz GVPYWQMDSNUUHH-JCNLHEQBSA-N 0 3 314.404 2.462 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC001264080622 1144458214 /nfs/dbraw/zinc/45/82/14/1144458214.db2.gz SDSOTVXDVUUMPR-AWEZNQCLSA-N 0 3 322.836 2.425 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@@H](NCc2oc(C)nc2C)C1 ZINC001264400012 1144528730 /nfs/dbraw/zinc/52/87/30/1144528730.db2.gz SHLJNLKZZHOJNE-IYBDPMFKSA-N 0 3 317.433 2.469 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC001279104395 1144529766 /nfs/dbraw/zinc/52/97/66/1144529766.db2.gz CTCUAUHOHVAHSP-CVEARBPZSA-N 0 3 314.429 2.304 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)C(F)(F)F)CC(C)(C)C1 ZINC001264753689 1144606605 /nfs/dbraw/zinc/60/66/05/1144606605.db2.gz MPQUDMUCUKPFKG-NEPJUHHUSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H]1CCO[C@@H](CCC)C1)C1CC1 ZINC001265180657 1144662051 /nfs/dbraw/zinc/66/20/51/1144662051.db2.gz YHMCIFDHVFRCKU-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001265213698 1144667958 /nfs/dbraw/zinc/66/79/58/1144667958.db2.gz XBCZCKKMPOVGDY-WMZOPIPTSA-N 0 3 306.450 2.395 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccc(OC)nc2)C1 ZINC001265218970 1144669479 /nfs/dbraw/zinc/66/94/79/1144669479.db2.gz PPZBOMQRBFYBDP-INIZCTEOSA-N 0 3 317.433 2.180 20 30 DEEDHN C=C[C@@H](C(=O)NCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC001265266230 1144677598 /nfs/dbraw/zinc/67/75/98/1144677598.db2.gz FKJQECSSGYHGFS-GOSISDBHSA-N 0 3 315.461 2.098 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001265319346 1144692711 /nfs/dbraw/zinc/69/27/11/1144692711.db2.gz LQKVLLNNIIRUDL-WCQYABFASA-N 0 3 321.446 2.006 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](CC)NC(C)=O)CC1 ZINC001265341605 1144696096 /nfs/dbraw/zinc/69/60/96/1144696096.db2.gz VFFNYXBTPGYPMW-QGZVFWFLSA-N 0 3 323.481 2.180 20 30 DEEDHN O=C(NC[C@@H](NCC#Cc1ccccc1)C1CC1)C1CC=CC1 ZINC001265349148 1144696858 /nfs/dbraw/zinc/69/68/58/1144696858.db2.gz ACJGXVCGIGTNNQ-LJQANCHMSA-N 0 3 308.425 2.489 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](NCc1ccnc(Cl)c1)C1CC1 ZINC001265354304 1144697671 /nfs/dbraw/zinc/69/76/71/1144697671.db2.gz 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C=C(Cl)CNC[C@@](C)(NC(=O)Cc1cnc(C)o1)C1CC1 ZINC001367169599 1147659637 /nfs/dbraw/zinc/65/96/37/1147659637.db2.gz CETHUBWOPPRZTQ-OAHLLOKOSA-N 0 3 311.813 2.153 20 30 DEEDHN Cc1noc(C)c1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317103290 1147659651 /nfs/dbraw/zinc/65/96/51/1147659651.db2.gz GVHUFVFAMZMGGB-CALCHBBNSA-N 0 3 323.396 2.194 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)c1cscn1 ZINC001317107717 1147660457 /nfs/dbraw/zinc/66/04/57/1147660457.db2.gz NXZFBFJRIYATKN-GASCZTMLSA-N 0 3 311.410 2.045 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(CO)ccc2F)C1 ZINC001317119564 1147662250 /nfs/dbraw/zinc/66/22/50/1147662250.db2.gz VNIIXBOEEGZSNG-IYBDPMFKSA-N 0 3 320.408 2.411 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCc2ccc(F)cc2)C1 ZINC001317140265 1147665601 /nfs/dbraw/zinc/66/56/01/1147665601.db2.gz OHQBCCLHDCUKLV-MRXNPFEDSA-N 0 3 302.393 2.220 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001317170752 1147669998 /nfs/dbraw/zinc/66/99/98/1147669998.db2.gz HBFFRXYJLDGYBE-HNNXBMFYSA-N 0 3 305.422 2.110 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001317198723 1147675153 /nfs/dbraw/zinc/67/51/53/1147675153.db2.gz AYZMJZQOAPOYHA-CVEARBPZSA-N 0 3 317.433 2.001 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001317206234 1147676514 /nfs/dbraw/zinc/67/65/14/1147676514.db2.gz BUMWKTKYRKVADN-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCCCO2)CCCC1 ZINC001367314920 1147677148 /nfs/dbraw/zinc/67/71/48/1147677148.db2.gz ISDRYJKEBSRYSW-CYBMUJFWSA-N 0 3 300.830 2.327 20 30 DEEDHN C=CCCC(=O)NC1CCC(NCc2cc(OC)no2)CC1 ZINC001317214674 1147678258 /nfs/dbraw/zinc/67/82/58/1147678258.db2.gz FDOCGEABNIZVTP-UHFFFAOYSA-N 0 3 307.394 2.166 20 30 DEEDHN COc1ccc(C)cc1CN[C@H](C)CNC(=O)C#CC(C)C ZINC001317238561 1147681089 /nfs/dbraw/zinc/68/10/89/1147681089.db2.gz KXWWAKJJZPFPLZ-OAHLLOKOSA-N 0 3 302.418 2.257 20 30 DEEDHN COc1ccc(Cl)c(CNC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)c1 ZINC001367354653 1147683076 /nfs/dbraw/zinc/68/30/76/1147683076.db2.gz ICNUBKAOUIYNRZ-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN CC[C@@H](CC1CCCC1)C(=O)NC[C@H](C)NCC#CCOC ZINC001317271453 1147684816 /nfs/dbraw/zinc/68/48/16/1147684816.db2.gz NBUIROJERQLNPL-RDJZCZTQSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCCC[NH2+][C@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001317273225 1147685043 /nfs/dbraw/zinc/68/50/43/1147685043.db2.gz YCBAZGLIVJKLFJ-GFCCVEGCSA-N 0 3 314.389 2.010 20 30 DEEDHN C=CC1(CC(=O)NC[C@@H](C)NCC(=O)NC(C)C)CCCCC1 ZINC001317274951 1147685055 /nfs/dbraw/zinc/68/50/55/1147685055.db2.gz HNJSVAQXPITYDD-OAHLLOKOSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1Cc1ccns1 ZINC001317427649 1147706355 /nfs/dbraw/zinc/70/63/55/1147706355.db2.gz QRHMLQIDHLDXGU-OLZOCXBDSA-N 0 3 306.435 2.164 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001317521817 1147719604 /nfs/dbraw/zinc/71/96/04/1147719604.db2.gz FCIWRQWSYRZKCD-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN COc1ccc(CN2CC[C@H](CNC(=O)C#CC3CC3)C2)cc1 ZINC001317524053 1147720013 /nfs/dbraw/zinc/72/00/13/1147720013.db2.gz XMOGNSSEVDYOBS-QGZVFWFLSA-N 0 3 312.413 2.047 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H](OC)c1ccccc1 ZINC001317547802 1147723385 /nfs/dbraw/zinc/72/33/85/1147723385.db2.gz NSQWDTQUTVPTGF-QGZVFWFLSA-N 0 3 302.418 2.226 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)CC[C@@H]1CCCO1 ZINC001317568140 1147726766 /nfs/dbraw/zinc/72/67/66/1147726766.db2.gz AMASOMMNHPJALA-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN Cc1cocc1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001317618825 1147733527 /nfs/dbraw/zinc/73/35/27/1147733527.db2.gz QSTHYOQBGWFLGK-UHFFFAOYSA-N 0 3 315.348 2.461 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CCn1cccn1)c1ccccc1 ZINC001317713612 1147746465 /nfs/dbraw/zinc/74/64/65/1147746465.db2.gz DNICLGPAFVYNGH-QGZVFWFLSA-N 0 3 312.417 2.296 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001317790030 1147752713 /nfs/dbraw/zinc/75/27/13/1147752713.db2.gz QFFNSWSFQJODPH-PKOBYXMFSA-N 0 3 318.461 2.211 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001317955205 1147763021 /nfs/dbraw/zinc/76/30/21/1147763021.db2.gz IWARFDMTSAATPN-OAHLLOKOSA-N 0 3 304.438 2.361 20 30 DEEDHN CCCC(=O)N[C@@H](CNCc1cc(C#N)ccc1OC)C1CC1 ZINC001367876283 1147764404 /nfs/dbraw/zinc/76/44/04/1147764404.db2.gz LXOAHKKUAFSZQA-INIZCTEOSA-N 0 3 315.417 2.351 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)[C@H]2CC23CC3)C2CC2)s1 ZINC001367912166 1147769277 /nfs/dbraw/zinc/76/92/77/1147769277.db2.gz MKDDGIITQYYRPN-CABCVRRESA-N 0 3 315.442 2.404 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)n[nH]c1C ZINC001318223519 1147800180 /nfs/dbraw/zinc/80/01/80/1147800180.db2.gz ASVSBKXGEWVAOV-HOTGVXAUSA-N 0 3 316.449 2.210 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C2(C(F)(F)F)CC2)CC1 ZINC001324886102 1147855514 /nfs/dbraw/zinc/85/55/14/1147855514.db2.gz HBRXOGFNLQXOMA-UHFFFAOYSA-N 0 3 302.340 2.180 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C(C)(C)F)C1 ZINC001368897563 1148755247 /nfs/dbraw/zinc/75/52/47/1148755247.db2.gz FULYQZPLUQCROH-UHFFFAOYSA-N 0 3 307.207 2.128 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccc(C)nn1 ZINC001325690037 1147984741 /nfs/dbraw/zinc/98/47/41/1147984741.db2.gz PRMAGBCUXQQPQD-UHFFFAOYSA-N 0 3 322.412 2.040 20 30 DEEDHN C=C1CCC(C(=O)N(CCO)CCNCc2ccsc2)CC1 ZINC001326085915 1148038460 /nfs/dbraw/zinc/03/84/60/1148038460.db2.gz KYIHVWCZOTYMCU-UHFFFAOYSA-N 0 3 322.474 2.405 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CCNCc2cnns2)C1 ZINC001326275761 1148068935 /nfs/dbraw/zinc/06/89/35/1148068935.db2.gz SDZRRHJOEIQJIX-CYBMUJFWSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001326597423 1148156757 /nfs/dbraw/zinc/15/67/57/1148156757.db2.gz VBIKGOJQEZQBCW-KGLIPLIRSA-N 0 3 303.324 2.399 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cnoc2-c2ccco2)CCC1 ZINC001326842401 1148266741 /nfs/dbraw/zinc/26/67/41/1148266741.db2.gz BSOYRGMBTUJPKU-UHFFFAOYSA-N 0 3 313.357 2.200 20 30 DEEDHN Cc1cc(CNC[C@H](NC(=O)[C@H](C)C#N)C2CCCC2)sn1 ZINC001368139581 1148267932 /nfs/dbraw/zinc/26/79/32/1148267932.db2.gz WHVJKCQFQPCCLA-ABAIWWIYSA-N 0 3 320.462 2.376 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CC3CCC2CC3)CCC1 ZINC001326938276 1148295128 /nfs/dbraw/zinc/29/51/28/1148295128.db2.gz UZPOZWGPMXJEHO-JCYILVPMSA-N 0 3 318.461 2.091 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCO1 ZINC001327063658 1148318079 /nfs/dbraw/zinc/31/80/79/1148318079.db2.gz IGPSXHCEACFJRV-KRWDZBQOSA-N 0 3 314.429 2.048 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC001327162690 1148340370 /nfs/dbraw/zinc/34/03/70/1148340370.db2.gz KMICOCMAVRKGDS-SJORKVTESA-N 0 3 314.429 2.448 20 30 DEEDHN CC[C@@](NC(=O)C(C#N)CCc1ccccc1)(C(N)=O)C(C)C ZINC000433363170 529518161 /nfs/dbraw/zinc/51/81/61/529518161.db2.gz GWJCJAYNKWOVHA-YJBOKZPZSA-N 0 3 315.417 2.165 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2COc3cc(F)ccc3C2)CC1 ZINC000625323220 365728658 /nfs/dbraw/zinc/72/86/58/365728658.db2.gz ULVJFWXRNNNTIY-AWEZNQCLSA-N 0 3 318.392 2.143 20 30 DEEDHN COC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000181564786 199318594 /nfs/dbraw/zinc/31/85/94/199318594.db2.gz AYDOYGPJQPPTDH-CYBMUJFWSA-N 0 3 307.419 2.190 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(C#N)s2)C1 ZINC000422219192 529799101 /nfs/dbraw/zinc/79/91/01/529799101.db2.gz NWHAQMFRCVTHNL-IUODEOHRSA-N 0 3 318.446 2.245 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1Cl ZINC000614619888 362421562 /nfs/dbraw/zinc/42/15/62/362421562.db2.gz MRIWLVYYGVXIMV-CQSZACIVSA-N 0 3 303.793 2.426 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000614747448 362453139 /nfs/dbraw/zinc/45/31/39/362453139.db2.gz UZHXCKVHCLVQPG-CZUORRHYSA-N 0 3 310.825 2.038 20 30 DEEDHN CC[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000286886923 219210609 /nfs/dbraw/zinc/21/06/09/219210609.db2.gz CUUQITAUWYPGKJ-HOCLYGCPSA-N 0 3 306.431 2.424 20 30 DEEDHN CC[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000286886918 219210982 /nfs/dbraw/zinc/21/09/82/219210982.db2.gz CUUQITAUWYPGKJ-GOEBONIOSA-N 0 3 306.431 2.424 20 30 DEEDHN C#CCn1ccc(CN(CC)CC2CCC3(CC2)OCCO3)n1 ZINC000279749175 215112888 /nfs/dbraw/zinc/11/28/88/215112888.db2.gz PYBXQRMXZPVGDJ-UHFFFAOYSA-N 0 3 317.433 2.272 20 30 DEEDHN N#Cc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ccn1 ZINC000287011594 219269566 /nfs/dbraw/zinc/26/95/66/219269566.db2.gz VALMMZMFRQVMCA-GOSISDBHSA-N 0 3 308.385 2.132 20 30 DEEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000595469754 358457025 /nfs/dbraw/zinc/45/70/25/358457025.db2.gz XUYKOBKVFOGGON-HNNXBMFYSA-N 0 3 300.402 2.371 20 30 DEEDHN CC#CCCCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000186032342 186233627 /nfs/dbraw/zinc/23/36/27/186233627.db2.gz SVFQPMSWOTWQLS-SFHVURJKSA-N 0 3 314.429 2.063 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@H]1CCN(CCOC)C1)c1ccccc1 ZINC000270457714 186395423 /nfs/dbraw/zinc/39/54/23/186395423.db2.gz WEPFJIPYIZIRKX-DOTOQJQBSA-N 0 3 302.418 2.183 20 30 DEEDHN COC(=O)C[C@](C)(NCCCSCC#N)c1ccncc1 ZINC000595486627 358462047 /nfs/dbraw/zinc/46/20/47/358462047.db2.gz OXWCRPRNSYOBQJ-HNNXBMFYSA-N 0 3 307.419 2.096 20 30 DEEDHN C[C@H]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000617263872 363070181 /nfs/dbraw/zinc/07/01/81/363070181.db2.gz UPPNQCCHYNXXOZ-GOEBONIOSA-N 0 3 320.458 2.320 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1ccc(C#N)cc1 ZINC000595501059 358466353 /nfs/dbraw/zinc/46/63/53/358466353.db2.gz RKBLEJYADCCFFO-QGZVFWFLSA-N 0 3 314.433 2.274 20 30 DEEDHN C[C@H](CN1CCN(c2ccccc2)CC1)NCc1ccc(C#N)o1 ZINC000174438514 198334241 /nfs/dbraw/zinc/33/42/41/198334241.db2.gz BHQZQVIBMAJKFQ-MRXNPFEDSA-N 0 3 324.428 2.452 20 30 DEEDHN CN(C)C(=O)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000182164327 199396587 /nfs/dbraw/zinc/39/65/87/199396587.db2.gz PSPLHEXYAZRVPG-UHFFFAOYSA-N 0 3 315.417 2.127 20 30 DEEDHN CCCNC(=O)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000042685988 354203551 /nfs/dbraw/zinc/20/35/51/354203551.db2.gz QJSPRERFMCZWRC-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCOC1 ZINC000052072237 354392986 /nfs/dbraw/zinc/39/29/86/354392986.db2.gz ODQJHKHJFQCVHD-INIZCTEOSA-N 0 3 315.417 2.292 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cccc(OCC)c2)CC1 ZINC000057172693 354560130 /nfs/dbraw/zinc/56/01/30/354560130.db2.gz LNKRFKDFYVELSK-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C=CCNC(=O)NC(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000057846542 354581293 /nfs/dbraw/zinc/58/12/93/354581293.db2.gz JWVOFVRUBCQYGP-UHFFFAOYSA-N 0 3 309.797 2.177 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H]2COCCO2)ccc1OC ZINC000057965486 354585592 /nfs/dbraw/zinc/58/55/92/354585592.db2.gz VXJAGLWBBYRBRF-HNNXBMFYSA-N 0 3 307.390 2.155 20 30 DEEDHN C[C@H](CNC(=O)COc1ccccc1C#N)N1CCC(C)CC1 ZINC000067273222 354755088 /nfs/dbraw/zinc/75/50/88/354755088.db2.gz BELPRHVJINBWBE-OAHLLOKOSA-N 0 3 315.417 2.174 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000067332294 354757511 /nfs/dbraw/zinc/75/75/11/354757511.db2.gz GIHPELCRXJRYPF-IRXDYDNUSA-N 0 3 300.377 2.143 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C)n2C)n1 ZINC000067894579 354784381 /nfs/dbraw/zinc/78/43/81/354784381.db2.gz JMJURUYOGZXKFF-SNVBAGLBSA-N 0 3 317.370 2.457 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000066853700 354735658 /nfs/dbraw/zinc/73/56/58/354735658.db2.gz OJBQYRIWUQGRFN-KGLIPLIRSA-N 0 3 303.406 2.122 20 30 DEEDHN CCCN1CCC(NS(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000073353904 354955852 /nfs/dbraw/zinc/95/58/52/354955852.db2.gz UTOGUASNWZHJGS-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000451412020 291053148 /nfs/dbraw/zinc/05/31/48/291053148.db2.gz WCSZNHXPIXKVIS-RYUDHWBXSA-N 0 3 305.344 2.411 20 30 DEEDHN N#Cc1cccc(CN[C@H](C2CC2)C2(CO)CCOCC2)c1F ZINC000595588143 358493600 /nfs/dbraw/zinc/49/36/00/358493600.db2.gz LSBJQEKNAGENBW-QGZVFWFLSA-N 0 3 318.392 2.355 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000078949916 355287393 /nfs/dbraw/zinc/28/73/93/355287393.db2.gz NPFIFNXDCSLPRG-HNNXBMFYSA-N 0 3 302.422 2.310 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000410589360 283099319 /nfs/dbraw/zinc/09/93/19/283099319.db2.gz LPGWPUCJVJHVLE-IIDMSEBBSA-N 0 3 301.434 2.403 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000081682267 355443872 /nfs/dbraw/zinc/44/38/72/355443872.db2.gz KEYTXDWQOWIUJT-ZWKOTPCHSA-N 0 3 311.429 2.462 20 30 DEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000138643044 355872825 /nfs/dbraw/zinc/87/28/25/355872825.db2.gz UCBKLMTVIICRGX-UHFFFAOYSA-N 0 3 308.397 2.309 20 30 DEEDHN C#CCN(CC)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145717396 355906884 /nfs/dbraw/zinc/90/68/84/355906884.db2.gz ZOPGKAGXLBZMLN-UHFFFAOYSA-N 0 3 315.486 2.481 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000170935086 355995276 /nfs/dbraw/zinc/99/52/76/355995276.db2.gz YQOWCKYQJRSQNY-CYBMUJFWSA-N 0 3 318.396 2.371 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000352831466 283145945 /nfs/dbraw/zinc/14/59/45/283145945.db2.gz CZCSLLWDGKPVSX-GXTWGEPZSA-N 0 3 314.307 2.064 20 30 DEEDHN C[C@@H](NCC(=O)NCC#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000185804274 356211627 /nfs/dbraw/zinc/21/16/27/356211627.db2.gz FOFNHKTZSBIYLI-WDEREUQCSA-N 0 3 313.323 2.427 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(C)(C)O)C(C)C ZINC000268138378 356350387 /nfs/dbraw/zinc/35/03/87/356350387.db2.gz QDLYGPMZGQEJTA-OAHLLOKOSA-N 0 3 311.470 2.097 20 30 DEEDHN N#CC[C@H]1CCCN(CCOCCN2CCC[C@H](CC#N)C2)C1 ZINC000595620391 358503763 /nfs/dbraw/zinc/50/37/63/358503763.db2.gz NBECQWXKIXTPJG-QZTJIDSGSA-N 0 3 318.465 2.254 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CNCCOCC1CCCC1 ZINC000313260658 356413062 /nfs/dbraw/zinc/41/30/62/356413062.db2.gz HKEGLESKMHAPSI-KRWDZBQOSA-N 0 3 318.417 2.094 20 30 DEEDHN N#Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)ncn1 ZINC000384044303 356680934 /nfs/dbraw/zinc/68/09/34/356680934.db2.gz VQKVGNGDBNYDID-IRXDYDNUSA-N 0 3 319.412 2.307 20 30 DEEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000578769881 356870874 /nfs/dbraw/zinc/87/08/74/356870874.db2.gz BXDQHSOTJWJNSC-XJKSGUPXSA-N 0 3 313.405 2.116 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCc2c1cccc2Cl ZINC000579810643 357034112 /nfs/dbraw/zinc/03/41/12/357034112.db2.gz CINKXBJMJFZZKF-WBMJQRKESA-N 0 3 307.825 2.123 20 30 DEEDHN Cc1cccc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000580830880 357086922 /nfs/dbraw/zinc/08/69/22/357086922.db2.gz SOKDXWOBXWWTBX-QGZVFWFLSA-N 0 3 308.385 2.353 20 30 DEEDHN COC(=O)c1csc([C@H](C)NC2CCN(CC#N)CC2)c1 ZINC000586789884 357370352 /nfs/dbraw/zinc/37/03/52/357370352.db2.gz LDGGHFYOZHVUQX-NSHDSACASA-N 0 3 307.419 2.173 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000588289033 357405424 /nfs/dbraw/zinc/40/54/24/357405424.db2.gz LIGMVAZQVKDQAR-NSHDSACASA-N 0 3 319.386 2.212 20 30 DEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc(C#N)n1 ZINC000589360113 357466263 /nfs/dbraw/zinc/46/62/63/357466263.db2.gz PLEWYCHKRCWTIG-HNNXBMFYSA-N 0 3 300.406 2.338 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc(C#N)n2)C1 ZINC000589434274 357469243 /nfs/dbraw/zinc/46/92/43/357469243.db2.gz FJNSHQKXLWNHNT-KRWDZBQOSA-N 0 3 320.396 2.300 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1C ZINC000590747942 357598931 /nfs/dbraw/zinc/59/89/31/357598931.db2.gz KQYAAQNMWWWVLL-KBPBESRZSA-N 0 3 315.483 2.061 20 30 DEEDHN CC[C@@](C)(CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591374989 357716264 /nfs/dbraw/zinc/71/62/64/357716264.db2.gz JZLHFWVNQRGQNX-WMZOPIPTSA-N 0 3 315.417 2.458 20 30 DEEDHN N#CCN1CCC(NCc2cccc3c2OC(F)(F)O3)CC1 ZINC000591257362 357695838 /nfs/dbraw/zinc/69/58/38/357695838.db2.gz ATSZFWOJXSJOMH-UHFFFAOYSA-N 0 3 309.316 2.086 20 30 DEEDHN C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)c1cccc(C#N)c1 ZINC000591310753 357704883 /nfs/dbraw/zinc/70/48/83/357704883.db2.gz IGRUQRNHYMBGHV-LBPRGKRZSA-N 0 3 321.384 2.482 20 30 DEEDHN COC(=O)c1cc(NC(=O)[C@H](N)CCCC#N)ccc1Cl ZINC000591595023 357740180 /nfs/dbraw/zinc/74/01/80/357740180.db2.gz VXLWQQBPIPAHNH-GFCCVEGCSA-N 0 3 309.753 2.086 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000591603807 357741943 /nfs/dbraw/zinc/74/19/43/357741943.db2.gz PKHYOZWZXKHMBY-CHWSQXEVSA-N 0 3 317.393 2.022 20 30 DEEDHN CC1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CCCCC1 ZINC000591751564 357756794 /nfs/dbraw/zinc/75/67/94/357756794.db2.gz GFSSLEZMZWBKQF-UHFFFAOYSA-N 0 3 321.446 2.287 20 30 DEEDHN C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000591869518 357774091 /nfs/dbraw/zinc/77/40/91/357774091.db2.gz SXBAMTROQJJYAN-XOKHGSTOSA-N 0 3 312.417 2.355 20 30 DEEDHN CCC(CC)N(CCOC)Cc1cnc2c(C#N)cnn2c1 ZINC000592498216 357886542 /nfs/dbraw/zinc/88/65/42/357886542.db2.gz OGNWXZZBHSZCBW-UHFFFAOYSA-N 0 3 301.394 2.238 20 30 DEEDHN C[C@H]1CC(CCNCc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000592509859 357889957 /nfs/dbraw/zinc/88/99/57/357889957.db2.gz HWISLPZPOMBCAZ-STQMWFEESA-N 0 3 313.405 2.284 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000662078724 540325851 /nfs/dbraw/zinc/32/58/51/540325851.db2.gz FVYDZXYQWNNCEJ-TWMKSMIVSA-N 0 3 304.434 2.339 20 30 DEEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CCN1CCCCC1 ZINC000593111670 358013284 /nfs/dbraw/zinc/01/32/84/358013284.db2.gz HQNZGPCVKJGDHL-QGZVFWFLSA-N 0 3 315.417 2.190 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1C1CC1 ZINC000593125767 358016529 /nfs/dbraw/zinc/01/65/29/358016529.db2.gz DXHPNQDSCMPAOP-LSDHHAIUSA-N 0 3 302.349 2.328 20 30 DEEDHN CC[C@H](C#N)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000593543405 358100198 /nfs/dbraw/zinc/10/01/98/358100198.db2.gz AGAVLPRTKCJFNM-ZIAGYGMSSA-N 0 3 300.406 2.273 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000594445798 358274142 /nfs/dbraw/zinc/27/41/42/358274142.db2.gz MGWTZBMASWMXEB-CHWSQXEVSA-N 0 3 307.781 2.301 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1cc(Cl)cc(Cl)c1 ZINC000594718904 358324903 /nfs/dbraw/zinc/32/49/03/358324903.db2.gz XDNUXPUTQHSJMB-CQSZACIVSA-N 0 3 316.232 2.289 20 30 DEEDHN CC(C)(C)N1C[C@@H](CNCc2ccc(C#N)cc2F)CC1=O ZINC000594995057 358374948 /nfs/dbraw/zinc/37/49/48/358374948.db2.gz YTHBQMUCBMMDDM-CYBMUJFWSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595661348 358515185 /nfs/dbraw/zinc/51/51/85/358515185.db2.gz ZAFVGRPMHNTXMM-GFCCVEGCSA-N 0 3 303.362 2.482 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCN1C ZINC000618816002 363611929 /nfs/dbraw/zinc/61/19/29/363611929.db2.gz XLDZZHOXPMUJPS-VMGRFDJRSA-N 0 3 312.417 2.327 20 30 DEEDHN CN(c1c(C#N)cnn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000596146540 358622130 /nfs/dbraw/zinc/62/21/30/358622130.db2.gz CMAXEKUJPVXGER-QGZVFWFLSA-N 0 3 309.417 2.393 20 30 DEEDHN N#Cc1ccc(CCNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000595938055 358584266 /nfs/dbraw/zinc/58/42/66/358584266.db2.gz KUHGWDMSDQAQCZ-GOSISDBHSA-N 0 3 305.381 2.104 20 30 DEEDHN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)[C@H](N)CCCC#N ZINC000595961070 358586313 /nfs/dbraw/zinc/58/63/13/358586313.db2.gz ORRGWWRIJCIDOE-WQVCFCJDSA-N 0 3 319.380 2.135 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1nccn1-c1ccccc1 ZINC000595991749 358590801 /nfs/dbraw/zinc/59/08/01/358590801.db2.gz HHOUOCVJMAICJM-ZFWWWQNUSA-N 0 3 311.389 2.071 20 30 DEEDHN CN1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC12CCCCC2 ZINC000596250584 358651858 /nfs/dbraw/zinc/65/18/58/358651858.db2.gz GLIJNGYMFNKICI-UHFFFAOYSA-N 0 3 315.377 2.316 20 30 DEEDHN CCCN1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000596881180 358781219 /nfs/dbraw/zinc/78/12/19/358781219.db2.gz JWQQDILOIXMRFS-INIZCTEOSA-N 0 3 312.417 2.331 20 30 DEEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@H]1COCCO1 ZINC000597206238 358852653 /nfs/dbraw/zinc/85/26/53/358852653.db2.gz NAJQEDWSYHSVBX-KRWDZBQOSA-N 0 3 304.390 2.216 20 30 DEEDHN CC(C)N(CCOCCO)C(=O)C(C#N)CCc1ccccc1 ZINC000597628823 358967231 /nfs/dbraw/zinc/96/72/31/358967231.db2.gz JGVDBKCWGXNQJO-QGZVFWFLSA-N 0 3 318.417 2.005 20 30 DEEDHN CC(C)(C#N)CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062144 359082494 /nfs/dbraw/zinc/08/24/94/359082494.db2.gz LDABWFFBSOZMGD-UHFFFAOYSA-N 0 3 314.433 2.350 20 30 DEEDHN Cc1noc(C2(C)CCN(C[C@@H](O)CC(C)(C)C#N)CC2)n1 ZINC000598604496 359259262 /nfs/dbraw/zinc/25/92/62/359259262.db2.gz SUYHSDZXYCGAGR-ZDUSSCGKSA-N 0 3 306.410 2.032 20 30 DEEDHN CC(C)(C)OC(=O)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590672 359252863 /nfs/dbraw/zinc/25/28/63/359252863.db2.gz SHWVHLPTNCDMFE-CQSZACIVSA-N 0 3 310.438 2.341 20 30 DEEDHN CN(C[C@H](O)CC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000598591045 359253958 /nfs/dbraw/zinc/25/39/58/359253958.db2.gz YNVLPZUKVHLQGT-KGLIPLIRSA-N 0 3 304.390 2.059 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1C[C@H](O)CC(C)(C)C#N ZINC000598594777 359255094 /nfs/dbraw/zinc/25/50/94/359255094.db2.gz JSCZVSBCYXONJU-BZUAXINKSA-N 0 3 309.454 2.008 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cccnc1OCC(F)F ZINC000598725771 359306718 /nfs/dbraw/zinc/30/67/18/359306718.db2.gz PFAGPWGWYGDJGT-LBPRGKRZSA-N 0 3 313.348 2.116 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cnccc1C(F)(F)F ZINC000598728671 359307902 /nfs/dbraw/zinc/30/79/02/359307902.db2.gz FBPMGGNHCYQVMP-NSHDSACASA-N 0 3 301.312 2.491 20 30 DEEDHN CCOc1cccc(CN(CCO)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598619908 359263383 /nfs/dbraw/zinc/26/33/83/359263383.db2.gz ISPIBMLFYXTYFR-INIZCTEOSA-N 0 3 320.433 2.180 20 30 DEEDHN COC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(OC)c1 ZINC000598624463 359265404 /nfs/dbraw/zinc/26/54/04/359265404.db2.gz DATDMHPTKNUADM-GOEBONIOSA-N 0 3 306.406 2.273 20 30 DEEDHN COc1cc(NC(=O)N(C)C[C@H]2CCCN2C)c(F)cc1C#N ZINC000599807565 359601724 /nfs/dbraw/zinc/60/17/24/359601724.db2.gz BAHUZSSINMIHPA-GFCCVEGCSA-N 0 3 320.368 2.264 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCO)c2ccco2)CC1 ZINC000187259436 200084958 /nfs/dbraw/zinc/08/49/58/200084958.db2.gz BLGZLSSYBKAVLG-HNNXBMFYSA-N 0 3 321.421 2.043 20 30 DEEDHN C=CCn1c(C)nnc1SCCCN1CCN(C(C)C)CC1 ZINC000188229275 200213005 /nfs/dbraw/zinc/21/30/05/200213005.db2.gz PCXNKLCBLVLUQW-UHFFFAOYSA-N 0 3 323.510 2.281 20 30 DEEDHN C=C[C@@H](O)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000668413999 540661694 /nfs/dbraw/zinc/66/16/94/540661694.db2.gz VNKKJBJQNPZCHN-MRXNPFEDSA-N 0 3 322.836 2.311 20 30 DEEDHN Cc1cccc(CN2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000601241109 359978330 /nfs/dbraw/zinc/97/83/30/359978330.db2.gz XZJDFOFAQMIATR-INIZCTEOSA-N 0 3 308.385 2.199 20 30 DEEDHN C[C@H](NS(=O)(=O)CCCN1CCCC1)c1ccc(C#N)cc1 ZINC000601303791 360000726 /nfs/dbraw/zinc/00/07/26/360000726.db2.gz IOGAAPDCXRZBBA-AWEZNQCLSA-N 0 3 321.446 2.025 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](C)CN(CC)CC ZINC000668624473 540700301 /nfs/dbraw/zinc/70/03/01/540700301.db2.gz ORIHMUWWOJKXHC-OAGGEKHMSA-N 0 3 323.481 2.084 20 30 DEEDHN CN(C)CCOc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccn1 ZINC000602301809 360334593 /nfs/dbraw/zinc/33/45/93/360334593.db2.gz AFODBADONBEIIK-QGZVFWFLSA-N 0 3 318.421 2.080 20 30 DEEDHN COc1ccc(OC)c(CN(CCO)C[C@@H](C)CCC#N)c1 ZINC000602471746 360389486 /nfs/dbraw/zinc/38/94/86/360389486.db2.gz HMIYNKPJLUYVFU-AWEZNQCLSA-N 0 3 306.406 2.438 20 30 DEEDHN COc1ccc(N(CC2CC2)C(=O)[C@H](N)CCCC#N)cc1 ZINC000602592040 360447123 /nfs/dbraw/zinc/44/71/23/360447123.db2.gz GXBIRJHQESOUMA-MRXNPFEDSA-N 0 3 301.390 2.459 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncc(Br)s1 ZINC000602603530 360453415 /nfs/dbraw/zinc/45/34/15/360453415.db2.gz BUYDGMWTWHKLCN-SSDOTTSWSA-N 0 3 317.212 2.255 20 30 DEEDHN Cc1ncc([N+](=O)[O-])n1CCNC1(c2cccc(C#N)c2)CC1 ZINC000602798354 360559972 /nfs/dbraw/zinc/55/99/72/360559972.db2.gz BRTSCVQQOVIKOL-UHFFFAOYSA-N 0 3 311.345 2.250 20 30 DEEDHN CCN(C[C@H](C)C#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602770828 360545765 /nfs/dbraw/zinc/54/57/65/360545765.db2.gz YKXIAQKPHCINOO-AEFFLSMTSA-N 0 3 301.434 2.105 20 30 DEEDHN Cn1cc([C@@H]2CN(CC3(CC#N)CC3)CC23CCOCC3)cn1 ZINC000602843104 360584940 /nfs/dbraw/zinc/58/49/40/360584940.db2.gz UXCUNMIADRRUMW-INIZCTEOSA-N 0 3 314.433 2.310 20 30 DEEDHN N#C[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000442797369 238078284 /nfs/dbraw/zinc/07/82/84/238078284.db2.gz WSYPSVPDFACSOQ-UKRRQHHQSA-N 0 3 313.401 2.279 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000442836365 238084797 /nfs/dbraw/zinc/08/47/97/238084797.db2.gz HABMVBVFOHEIMS-HUUCEWRRSA-N 0 3 319.430 2.008 20 30 DEEDHN CN(C)CCn1cc(NC(=O)Nc2cc(F)cc(C#N)c2)cn1 ZINC000603070529 360688478 /nfs/dbraw/zinc/68/84/78/360688478.db2.gz IFSVKZANDJWFQB-UHFFFAOYSA-N 0 3 316.340 2.099 20 30 DEEDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2cccc(C#N)c2)C1 ZINC000281273825 216203062 /nfs/dbraw/zinc/20/30/62/216203062.db2.gz NZSAWKQSOAVPPE-SFHVURJKSA-N 0 3 316.401 2.350 20 30 DEEDHN N#Cc1cc(Cn2cc(CCN3CCCCC3)nn2)ccc1F ZINC000603200661 360743688 /nfs/dbraw/zinc/74/36/88/360743688.db2.gz MYOOQSMSHAKNQF-UHFFFAOYSA-N 0 3 313.380 2.366 20 30 DEEDHN N#Cc1cccc(Cn2cc(CCN3CCCCC3)nn2)c1F ZINC000603233815 360759193 /nfs/dbraw/zinc/75/91/93/360759193.db2.gz BUENGAFASPITDQ-UHFFFAOYSA-N 0 3 313.380 2.366 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1C#N ZINC000603377416 360810580 /nfs/dbraw/zinc/81/05/80/360810580.db2.gz UTBBMOHLRJEIIF-NWDGAFQWSA-N 0 3 315.377 2.112 20 30 DEEDHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(C#N)c(F)c1 ZINC000272006153 209376943 /nfs/dbraw/zinc/37/69/43/209376943.db2.gz LIKATPYWLUTUGK-DOMZBBRYSA-N 0 3 320.364 2.270 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000604535289 360914860 /nfs/dbraw/zinc/91/48/60/360914860.db2.gz UPOWYMBGQKIVLP-RDJZCZTQSA-N 0 3 314.433 2.302 20 30 DEEDHN C[C@@H]1SCCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1C ZINC000609826522 361340776 /nfs/dbraw/zinc/34/07/76/361340776.db2.gz FJQAHQDXUNORGU-OFQRWUPVSA-N 0 3 320.458 2.318 20 30 DEEDHN Cc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1 ZINC000619359142 363772313 /nfs/dbraw/zinc/77/23/13/363772313.db2.gz DAVGRJVIFPVKFB-CQSZACIVSA-N 0 3 310.382 2.322 20 30 DEEDHN Cc1nn(C)c(N2CCN(C[C@@H](C)C(C)(C)C)CC2)c1C#N ZINC000619845870 363883339 /nfs/dbraw/zinc/88/33/39/363883339.db2.gz ZPKGNBDKPPBGDG-CYBMUJFWSA-N 0 3 303.454 2.404 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1OC ZINC000621149078 364278601 /nfs/dbraw/zinc/27/86/01/364278601.db2.gz BKDMQIJIWABZOS-OAHLLOKOSA-N 0 3 318.417 2.330 20 30 DEEDHN C=C(C)COc1cc(CN(C)[C@@]2(CO)CCOC2)ccc1OC ZINC000628367149 366830631 /nfs/dbraw/zinc/83/06/31/366830631.db2.gz NUDSAJOVAXGWRG-GOSISDBHSA-N 0 3 321.417 2.233 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2cc(C#N)n(C)c2)C[C@@H]1c1ccccc1 ZINC000449752846 241039601 /nfs/dbraw/zinc/03/96/01/241039601.db2.gz DJRCMAKHGGGDLR-MSOLQXFVSA-N 0 3 323.396 2.285 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451510632 243048667 /nfs/dbraw/zinc/04/86/67/243048667.db2.gz PGQINKXZAGJMOR-NUEKZKHPSA-N 0 3 321.465 2.320 20 30 DEEDHN N#Cc1ccccc1OCCN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451715574 243348797 /nfs/dbraw/zinc/34/87/97/243348797.db2.gz UHHAOLWVVRNHBS-DJIMGWMZSA-N 0 3 300.402 2.420 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000452371616 244212460 /nfs/dbraw/zinc/21/24/60/244212460.db2.gz UDFXOALOEKYYBG-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000264625823 204037529 /nfs/dbraw/zinc/03/75/29/204037529.db2.gz CENOUPSZHUWWAT-ZBFHGGJFSA-N 0 3 315.417 2.316 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264571346 204002754 /nfs/dbraw/zinc/00/27/54/204002754.db2.gz HPTZSKHBPIYWBT-INIZCTEOSA-N 0 3 313.401 2.024 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000679323559 541838430 /nfs/dbraw/zinc/83/84/30/541838430.db2.gz CCEPHVDSDNHJPE-GFCCVEGCSA-N 0 3 303.328 2.476 20 30 DEEDHN C=CCNC(=O)c1ccc(N2CC[C@H](N3CCCCC3)C2)nc1 ZINC000264879924 204234527 /nfs/dbraw/zinc/23/45/27/204234527.db2.gz QRMCYMLCMZNVDO-INIZCTEOSA-N 0 3 314.433 2.062 20 30 DEEDHN C=CCOCCN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000679575856 541878266 /nfs/dbraw/zinc/87/82/66/541878266.db2.gz CMRPZRBENHEOIA-AWEZNQCLSA-N 0 3 324.446 2.080 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000288387011 220124780 /nfs/dbraw/zinc/12/47/80/220124780.db2.gz LGHGWDUZRODJPW-AWEZNQCLSA-N 0 3 323.462 2.098 20 30 DEEDHN Clc1ccc(C#CCN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000267418337 206052913 /nfs/dbraw/zinc/05/29/13/206052913.db2.gz VTAVUYYNMVHJKE-QGZVFWFLSA-N 0 3 318.848 2.346 20 30 DEEDHN C=CCOCCN[C@H](CN1CCOCC1)c1ccc(CC)cc1 ZINC000680350301 541991293 /nfs/dbraw/zinc/99/12/93/541991293.db2.gz YQNGVRXKFCESFV-LJQANCHMSA-N 0 3 318.461 2.415 20 30 DEEDHN CO[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000267765101 206267540 /nfs/dbraw/zinc/26/75/40/206267540.db2.gz FYVMWEGRNLRMAG-NSHDSACASA-N 0 3 319.430 2.158 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc(C)[nH]n1)C(C)C ZINC000267999705 206387008 /nfs/dbraw/zinc/38/70/08/206387008.db2.gz VLZXINQPEJXQDG-INIZCTEOSA-N 0 3 304.438 2.075 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc(C)n[nH]1)C(C)C ZINC000267999705 206387012 /nfs/dbraw/zinc/38/70/12/206387012.db2.gz VLZXINQPEJXQDG-INIZCTEOSA-N 0 3 304.438 2.075 20 30 DEEDHN C=CCCOCC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000681151946 542103147 /nfs/dbraw/zinc/10/31/47/542103147.db2.gz JOMLCUXSUOTMKU-UHFFFAOYSA-N 0 3 317.433 2.360 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000458383778 248286171 /nfs/dbraw/zinc/28/61/71/248286171.db2.gz TYMDHIAIELUBNT-NVXWUHKLSA-N 0 3 319.449 2.133 20 30 DEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000042185274 183239241 /nfs/dbraw/zinc/23/92/41/183239241.db2.gz WGJBVMAOJVVEOI-MRXNPFEDSA-N 0 3 304.390 2.059 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCC(=O)OC)C(C)C ZINC000274086069 211339805 /nfs/dbraw/zinc/33/98/05/211339805.db2.gz MKBYPPYKBQCOQJ-OAHLLOKOSA-N 0 3 310.438 2.145 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCC(=O)OC)C(C)C ZINC000274086067 211339180 /nfs/dbraw/zinc/33/91/80/211339180.db2.gz MKBYPPYKBQCOQJ-HNNXBMFYSA-N 0 3 310.438 2.145 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000106040622 194180642 /nfs/dbraw/zinc/18/06/42/194180642.db2.gz KDWDCMINZDPBBW-UHFFFAOYSA-N 0 3 309.391 2.427 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000057155546 184028672 /nfs/dbraw/zinc/02/86/72/184028672.db2.gz PJGJNSHIBXDPRT-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000269080518 207228082 /nfs/dbraw/zinc/22/80/82/207228082.db2.gz FGMPHUORMFRKDU-ROUUACIJSA-N 0 3 322.412 2.248 20 30 DEEDHN Cc1ccc(CCNC[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000555575200 291799338 /nfs/dbraw/zinc/79/93/38/291799338.db2.gz BSXOLUURRFZZKP-OAHLLOKOSA-N 0 3 300.358 2.032 20 30 DEEDHN CN1CCN(Cc2ccc(CNc3cccc(C#N)n3)cc2)CC1 ZINC000270035533 208091413 /nfs/dbraw/zinc/09/14/13/208091413.db2.gz HWVBLHXFYYYMSU-UHFFFAOYSA-N 0 3 321.428 2.313 20 30 DEEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(OC)cc1 ZINC000120216649 195120353 /nfs/dbraw/zinc/12/03/53/195120353.db2.gz TWFMBPVTYDJQRA-BBRMVZONSA-N 0 3 303.406 2.496 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCCC1(F)F ZINC000491705828 533103721 /nfs/dbraw/zinc/10/37/21/533103721.db2.gz ZWNKGXRHNVLBQB-CYBMUJFWSA-N 0 3 301.381 2.066 20 30 DEEDHN COC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000541596300 285174925 /nfs/dbraw/zinc/17/49/25/285174925.db2.gz REGONUDAJNQEJJ-CQSZACIVSA-N 0 3 309.797 2.411 20 30 DEEDHN C[C@@H](NC(=O)NCC#Cc1cccc(F)c1)C1=CCN(C)CC1 ZINC000338062784 533147358 /nfs/dbraw/zinc/14/73/58/533147358.db2.gz SRPSWEIPSBXFNJ-CQSZACIVSA-N 0 3 315.392 2.127 20 30 DEEDHN Cc1cccc(S(=O)(=O)NCCN(C(C)C)C(C)C)c1C#N ZINC000156203162 197094954 /nfs/dbraw/zinc/09/49/54/197094954.db2.gz RVUVQKHWJWPJJU-UHFFFAOYSA-N 0 3 323.462 2.264 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](C)[C@H]2CCCOC2)c1C#N ZINC000542577692 285234857 /nfs/dbraw/zinc/23/48/57/285234857.db2.gz QWAOZKYTHQVJQB-JSGCOSHPSA-N 0 3 302.374 2.250 20 30 DEEDHN N#Cc1ccc(N2CCC([NH2+]Cc3nnc(C4CC4)[n-]3)CC2)cc1 ZINC000294875330 224278946 /nfs/dbraw/zinc/27/89/46/224278946.db2.gz VBTRASHQRQCOAK-UHFFFAOYSA-N 0 3 322.416 2.312 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1N(C)C ZINC000289886086 221292196 /nfs/dbraw/zinc/29/21/96/221292196.db2.gz SGOFOCXPMNRILR-ZIAGYGMSSA-N 0 3 322.409 2.207 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](O)C12CCCC2 ZINC000292839892 533503353 /nfs/dbraw/zinc/50/33/53/533503353.db2.gz UTYQJZSNRZMCKQ-QGZVFWFLSA-N 0 3 316.401 2.325 20 30 DEEDHN CSC1(CNC(=O)Cc2cccc(C#N)c2)CCN(C)CC1 ZINC000562910817 292016345 /nfs/dbraw/zinc/01/63/45/292016345.db2.gz FPLUPEIUXZLJQH-UHFFFAOYSA-N 0 3 317.458 2.044 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000355426651 133026081 /nfs/dbraw/zinc/02/60/81/133026081.db2.gz VIBFJPAUPKPGJE-INIZCTEOSA-N 0 3 317.408 2.476 20 30 DEEDHN CSC1(CNC(=O)c2cccc(C#N)c2C)CCN(C)CC1 ZINC000355448311 133027873 /nfs/dbraw/zinc/02/78/73/133027873.db2.gz VLTHJXASCXLAAJ-UHFFFAOYSA-N 0 3 317.458 2.424 20 30 DEEDHN CN(C)[C@@H](CNC(=O)CNc1cccc(C#N)c1)c1ccccc1 ZINC000355571519 133034740 /nfs/dbraw/zinc/03/47/40/133034740.db2.gz WKQVMQQYKBMILJ-SFHVURJKSA-N 0 3 322.412 2.389 20 30 DEEDHN N#Cc1nccnc1N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000368133216 133261644 /nfs/dbraw/zinc/26/16/44/133261644.db2.gz UEGWHIXXUBXKJB-IAGOWNOFSA-N 0 3 319.412 2.307 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2C2CC2)cc1Cl ZINC000372805761 133366733 /nfs/dbraw/zinc/36/67/33/133366733.db2.gz HRCMYZHDKZIEOH-GOEBONIOSA-N 0 3 319.792 2.307 20 30 DEEDHN N#Cc1cc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1F ZINC000550502524 285872141 /nfs/dbraw/zinc/87/21/41/285872141.db2.gz KEWIHUMSLDYDIY-DLBZAZTESA-N 0 3 304.365 2.107 20 30 DEEDHN C[C@H]1CCC[C@@H](CO)N1CCC(=O)Nc1sccc1C#N ZINC000305879423 145348818 /nfs/dbraw/zinc/34/88/18/145348818.db2.gz TWNVGQDNKKNRBI-AAEUAGOBSA-N 0 3 307.419 2.184 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cscc2C#N)C[C@@H](C)C1 ZINC000346179029 146031363 /nfs/dbraw/zinc/03/13/63/146031363.db2.gz GGEWTNKYFSBKLB-ZOWXZIJZSA-N 0 3 303.431 2.422 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@H]2OC(F)F)cc1 ZINC000348522819 146281358 /nfs/dbraw/zinc/28/13/58/146281358.db2.gz ZVRUNIFIWGAMQE-QWHCGFSZSA-N 0 3 309.316 2.247 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000370400955 148014279 /nfs/dbraw/zinc/01/42/79/148014279.db2.gz SUJUEEUFPLATNL-LBPRGKRZSA-N 0 3 301.365 2.444 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CC[C@H]1N1CCN(C)CC1 ZINC000370696929 148046279 /nfs/dbraw/zinc/04/62/79/148046279.db2.gz IQTQPDZIWZRMJU-RHSMWYFYSA-N 0 3 318.490 2.078 20 30 DEEDHN CCCC[C@@H](COC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000565946296 292192751 /nfs/dbraw/zinc/19/27/51/292192751.db2.gz NDBSDWTWLCYYIR-HNNXBMFYSA-N 0 3 324.446 2.127 20 30 DEEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H](N4CCCC4)C3)o2)cc1 ZINC000075685354 401766915 /nfs/dbraw/zinc/76/69/15/401766915.db2.gz WYZJVJRQIMUPRT-MRXNPFEDSA-N 0 3 323.400 2.278 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000130993691 401842179 /nfs/dbraw/zinc/84/21/79/401842179.db2.gz KZZVKSYVRGJIFO-SFHVURJKSA-N 0 3 316.445 2.406 20 30 DEEDHN CN(C)CCN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000078549806 401855539 /nfs/dbraw/zinc/85/55/39/401855539.db2.gz OFWIXXIKXCYXMP-UHFFFAOYSA-N 0 3 312.320 2.185 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000078599403 401857358 /nfs/dbraw/zinc/85/73/58/401857358.db2.gz GOBATUCPLIPHLR-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN N#CC(C(=O)c1ccccc1SCC(N)=O)c1ccccn1 ZINC000041481988 401929078 /nfs/dbraw/zinc/92/90/78/401929078.db2.gz IWMCWHIYFIMSHE-LBPRGKRZSA-N 0 3 311.366 2.149 20 30 DEEDHN N#Cc1cccc(CNC[C@@H](O)COCc2cccs2)c1 ZINC000037749263 401916760 /nfs/dbraw/zinc/91/67/60/401916760.db2.gz NOGNPFDESIFPRB-OAHLLOKOSA-N 0 3 302.399 2.287 20 30 DEEDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(C#N)cc1 ZINC000119388152 401946541 /nfs/dbraw/zinc/94/65/41/401946541.db2.gz PKGJSFLUBOXSDP-UHFFFAOYSA-N 0 3 323.462 2.301 20 30 DEEDHN C=CCN(C)CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000121169291 402018285 /nfs/dbraw/zinc/01/82/85/402018285.db2.gz AJCRTCNEFIVIRF-UHFFFAOYSA-N 0 3 315.461 2.147 20 30 DEEDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000049969627 402023414 /nfs/dbraw/zinc/02/34/14/402023414.db2.gz BGYSQTAHPIKKIH-HNNXBMFYSA-N 0 3 314.433 2.159 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H](C)CO[C@H]2CCOC2)cc1 ZINC000151233891 402024675 /nfs/dbraw/zinc/02/46/75/402024675.db2.gz WZHIZRVGEZVDHK-YJBOKZPZSA-N 0 3 303.402 2.372 20 30 DEEDHN N#CCCCN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000053049524 402050458 /nfs/dbraw/zinc/05/04/58/402050458.db2.gz YTVYYPKCTSAEJP-UHFFFAOYSA-N 0 3 303.381 2.458 20 30 DEEDHN CN(CCN1CCN(CCCC#N)CC1)Cc1ccccc1 ZINC000066534108 402136141 /nfs/dbraw/zinc/13/61/41/402136141.db2.gz CKNKGNSPISASTM-UHFFFAOYSA-N 0 3 300.450 2.040 20 30 DEEDHN C=CCOc1ccc(C(=O)N(C)CCN2CCCC2)cc1OC ZINC000103120667 402178972 /nfs/dbraw/zinc/17/89/72/402178972.db2.gz MYJKZQPFVSXXDT-UHFFFAOYSA-N 0 3 318.417 2.428 20 30 DEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000154223103 402199942 /nfs/dbraw/zinc/19/99/42/402199942.db2.gz ZZYDYLWQYLUVCA-HNNXBMFYSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CCCOC2)CC1 ZINC000107747695 402239692 /nfs/dbraw/zinc/23/96/92/402239692.db2.gz JDQMMACLHQRTMV-OAHLLOKOSA-N 0 3 309.454 2.095 20 30 DEEDHN C[C@H](CNC(=O)CNc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000155354561 402253825 /nfs/dbraw/zinc/25/38/25/402253825.db2.gz RUFPKADAOWYBSE-OAHLLOKOSA-N 0 3 314.433 2.207 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC2CCOCC2)CC1 ZINC000158731069 402310572 /nfs/dbraw/zinc/31/05/72/402310572.db2.gz HAPDUJONRBFCCS-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN CC[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000229444426 402343274 /nfs/dbraw/zinc/34/32/74/402343274.db2.gz YXCCDEKXSQBOCB-ZBFHGGJFSA-N 0 3 306.431 2.125 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C)(O)CC1)C(C)C ZINC000177448323 402403254 /nfs/dbraw/zinc/40/32/54/402403254.db2.gz PHCUXAPZBBKSIK-MRXNPFEDSA-N 0 3 323.481 2.241 20 30 DEEDHN C#CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)cc1 ZINC000177781298 402435812 /nfs/dbraw/zinc/43/58/12/402435812.db2.gz YRDCJOUBUSYGLZ-SJORKVTESA-N 0 3 312.413 2.397 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCN(C2CCCCC2)CC1 ZINC000163239377 402445234 /nfs/dbraw/zinc/44/52/34/402445234.db2.gz UUJITPABQTZUHE-UHFFFAOYSA-N 0 3 305.466 2.137 20 30 DEEDHN N#Cc1ccc(CC(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177317731 402391114 /nfs/dbraw/zinc/39/11/14/402391114.db2.gz DEUAEZOQCNXYDI-OTWHNJEPSA-N 0 3 323.440 2.434 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000161609401 402393153 /nfs/dbraw/zinc/39/31/53/402393153.db2.gz KWIXEHKYVUBELS-OAHLLOKOSA-N 0 3 315.417 2.268 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1[C@@H]2CCC[C@H]12 ZINC000178169512 402467305 /nfs/dbraw/zinc/46/73/05/402467305.db2.gz LSCMFUMHRGHERD-JWTNVVGKSA-N 0 3 311.429 2.495 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc(C#N)c1 ZINC000246427153 402530803 /nfs/dbraw/zinc/53/08/03/402530803.db2.gz WBYBORLAGLFQAV-CZUORRHYSA-N 0 3 300.406 2.040 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000171679882 402608711 /nfs/dbraw/zinc/60/87/11/402608711.db2.gz LKHAXNVQPPMAFS-UHFFFAOYSA-N 0 3 303.362 2.187 20 30 DEEDHN CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000190798614 402623899 /nfs/dbraw/zinc/62/38/99/402623899.db2.gz NIGRKCJWEIMELD-KRWDZBQOSA-N 0 3 300.381 2.428 20 30 DEEDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181875898 402659429 /nfs/dbraw/zinc/65/94/29/402659429.db2.gz QQOIQMCGXMTJKW-JKIFEVAISA-N 0 3 304.390 2.434 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039246 402707239 /nfs/dbraw/zinc/70/72/39/402707239.db2.gz BWMUXAFSGSCCJQ-TUKIKUTGSA-N 0 3 308.809 2.450 20 30 DEEDHN CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCO1 ZINC000182310275 402680228 /nfs/dbraw/zinc/68/02/28/402680228.db2.gz LOVLMMKCPUYEME-KGLIPLIRSA-N 0 3 305.378 2.254 20 30 DEEDHN CN(CC#Cc1ccc(Cl)cc1)CCCN1CCN(C)CC1 ZINC000182964055 402730094 /nfs/dbraw/zinc/73/00/94/402730094.db2.gz DHPFBTUMHPWTCY-UHFFFAOYSA-N 0 3 319.880 2.261 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCN(c2ccccc2)CC1 ZINC000174268733 402734607 /nfs/dbraw/zinc/73/46/07/402734607.db2.gz OEZREAFEQASPBN-INIZCTEOSA-N 0 3 324.428 2.452 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000174554893 402746718 /nfs/dbraw/zinc/74/67/18/402746718.db2.gz ZCGHMNRLDANBMT-SJORKVTESA-N 0 3 318.461 2.186 20 30 DEEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 ZINC000184069570 402815769 /nfs/dbraw/zinc/81/57/69/402815769.db2.gz YLVHBWFRYLNDBF-XKQJLSEDSA-N 0 3 313.401 2.211 20 30 DEEDHN Cc1[nH]ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000175589144 402819630 /nfs/dbraw/zinc/81/96/30/402819630.db2.gz JRFFMNOWRAACMV-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000194942553 402823473 /nfs/dbraw/zinc/82/34/73/402823473.db2.gz GCWPXYRILZDXSP-HNNXBMFYSA-N 0 3 311.389 2.387 20 30 DEEDHN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)N(C)C1CC1 ZINC000264209289 402857765 /nfs/dbraw/zinc/85/77/65/402857765.db2.gz GRMYHZBCVLDNFY-STQMWFEESA-N 0 3 300.406 2.401 20 30 DEEDHN CCC[C@H](O)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278542487 402867860 /nfs/dbraw/zinc/86/78/60/402867860.db2.gz AEVBPZXJMAMKKS-INIZCTEOSA-N 0 3 313.405 2.109 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000278652363 402869444 /nfs/dbraw/zinc/86/94/44/402869444.db2.gz IECYUCVMTUYUQR-ZFWWWQNUSA-N 0 3 307.419 2.230 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000264468740 402881524 /nfs/dbraw/zinc/88/15/24/402881524.db2.gz IGHLHGXYAOWLSB-ZDUSSCGKSA-N 0 3 306.381 2.360 20 30 DEEDHN C[C@H](NCCNC(=O)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000271938471 402885917 /nfs/dbraw/zinc/88/59/17/402885917.db2.gz NVXMGKUWCIYLQM-NSHDSACASA-N 0 3 301.321 2.371 20 30 DEEDHN CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCN(C)CC1 ZINC000278976060 402892334 /nfs/dbraw/zinc/89/23/34/402892334.db2.gz OERNJQWWWHJWLH-UHFFFAOYSA-N 0 3 324.384 2.379 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000265707766 402942156 /nfs/dbraw/zinc/94/21/56/402942156.db2.gz UXCQGGPVAXDFMX-MRXNPFEDSA-N 0 3 300.402 2.188 20 30 DEEDHN N#Cc1cccnc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000265822585 402953359 /nfs/dbraw/zinc/95/33/59/402953359.db2.gz XAEQGULPMNQUAE-MSOLQXFVSA-N 0 3 322.412 2.248 20 30 DEEDHN C#CCCCCN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000273026508 402963609 /nfs/dbraw/zinc/96/36/09/402963609.db2.gz RJRFERQEWYPTNX-AWEZNQCLSA-N 0 3 312.335 2.495 20 30 DEEDHN CC[C@@]1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279842721 402963816 /nfs/dbraw/zinc/96/38/16/402963816.db2.gz AHIBHPZGTNIREE-AEFFLSMTSA-N 0 3 311.385 2.268 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000279953805 402965890 /nfs/dbraw/zinc/96/58/90/402965890.db2.gz GTUMFDVPQYNERA-BRSBDYLESA-N 0 3 323.396 2.314 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000279209084 402916228 /nfs/dbraw/zinc/91/62/28/402916228.db2.gz BOGNKMHOFOMISC-KURKYZTESA-N 0 3 323.396 2.411 20 30 DEEDHN COCCN1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000265425037 402917838 /nfs/dbraw/zinc/91/78/38/402917838.db2.gz SFDULCHFHHHSFG-ZDUSSCGKSA-N 0 3 322.796 2.054 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279289166 402927283 /nfs/dbraw/zinc/92/72/83/402927283.db2.gz UIOBOZUUBMNYLF-HNNXBMFYSA-N 0 3 324.384 2.379 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280592800 403016563 /nfs/dbraw/zinc/01/65/63/403016563.db2.gz FCDFBPYCHNYLKK-QAPCUYQASA-N 0 3 324.428 2.089 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280592801 403016594 /nfs/dbraw/zinc/01/65/94/403016594.db2.gz FCDFBPYCHNYLKK-YJBOKZPZSA-N 0 3 324.428 2.089 20 30 DEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCCCC#N ZINC000273175980 402979561 /nfs/dbraw/zinc/97/95/61/402979561.db2.gz FKNBKOJWFLEBLT-UHFFFAOYSA-N 0 3 306.385 2.203 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000280268554 402981945 /nfs/dbraw/zinc/98/19/45/402981945.db2.gz LUSWTUVALQUYDM-QWHCGFSZSA-N 0 3 306.406 2.088 20 30 DEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000274180940 403033041 /nfs/dbraw/zinc/03/30/41/403033041.db2.gz FOOZYMJSQDJQLR-HLLBOEOZSA-N 0 3 312.417 2.245 20 30 DEEDHN C=CCCCN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274335307 403045695 /nfs/dbraw/zinc/04/56/95/403045695.db2.gz OEXOTFCBMYJJIE-GOSISDBHSA-N 0 3 313.401 2.149 20 30 DEEDHN CCC(CC)(CO)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281404825 403067428 /nfs/dbraw/zinc/06/74/28/403067428.db2.gz CJOVBLWLXIFULM-MRXNPFEDSA-N 0 3 313.401 2.155 20 30 DEEDHN Cc1cnccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000274622554 403072578 /nfs/dbraw/zinc/07/25/78/403072578.db2.gz XBEOTFHBGOGWSN-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN COCCN(CCCc1nc(C)no1)Cc1ccc(C#N)cc1 ZINC000268703844 403108046 /nfs/dbraw/zinc/10/80/46/403108046.db2.gz VYXRBXUKVPFAIP-UHFFFAOYSA-N 0 3 314.389 2.331 20 30 DEEDHN COC(=O)[C@]1(C)CN(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000282304089 403141817 /nfs/dbraw/zinc/14/18/17/403141817.db2.gz GNQJUNPXGQZYGB-CXAGYDPISA-N 0 3 302.374 2.068 20 30 DEEDHN C=C(C)COc1cc(CN(CC)CCOCCO)ccc1OC ZINC000282760241 403159159 /nfs/dbraw/zinc/15/91/59/403159159.db2.gz OSRXMBCTLFKINN-UHFFFAOYSA-N 0 3 323.433 2.481 20 30 DEEDHN C[C@@H]1CCCN(CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000283533255 403203969 /nfs/dbraw/zinc/20/39/69/403203969.db2.gz LFKZHAHZOYAYMJ-LLVKDONJSA-N 0 3 303.366 2.192 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCCn1ccnc1C ZINC000270982761 403249286 /nfs/dbraw/zinc/24/92/86/403249286.db2.gz GPQHKNSHZNLDPT-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284957856 403274433 /nfs/dbraw/zinc/27/44/33/403274433.db2.gz ZRVBJJCQUAFXBW-ZFWWWQNUSA-N 0 3 311.447 2.458 20 30 DEEDHN CC(C)CCOCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292091911 403288397 /nfs/dbraw/zinc/28/83/97/403288397.db2.gz FPJCBTNTYUDZLK-MRXNPFEDSA-N 0 3 303.406 2.469 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)Cc2ccc(C#N)cc2)ccn1 ZINC000345335114 403290888 /nfs/dbraw/zinc/29/08/88/403290888.db2.gz XUPYXDFKTQFWFK-UHFFFAOYSA-N 0 3 324.384 2.075 20 30 DEEDHN C[C@H]1CN(C2CCN(Cc3ccc(CC#N)cc3)CC2)CCO1 ZINC000342691721 403310447 /nfs/dbraw/zinc/31/04/47/403310447.db2.gz JBUBLBHVNORBRV-INIZCTEOSA-N 0 3 313.445 2.438 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000298075035 403315514 /nfs/dbraw/zinc/31/55/14/403315514.db2.gz VERVMKSOJNPZRD-IRXDYDNUSA-N 0 3 317.433 2.255 20 30 DEEDHN CCS[C@H]1CCC[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000285611918 403339090 /nfs/dbraw/zinc/33/90/90/403339090.db2.gz CLLDPZSECRCUET-HOTGVXAUSA-N 0 3 317.458 2.438 20 30 DEEDHN C=CCCN(C)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000342764877 403341453 /nfs/dbraw/zinc/34/14/53/403341453.db2.gz LMUGBDBZUOQHQC-UHFFFAOYSA-N 0 3 319.449 2.289 20 30 DEEDHN CCNC(=O)[C@@H](NCc1ccc(N(C)CCC#N)cc1)C(C)C ZINC000292884717 403380881 /nfs/dbraw/zinc/38/08/81/403380881.db2.gz FENYZBKWWVRAMR-KRWDZBQOSA-N 0 3 316.449 2.287 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1N(C)C ZINC000285909902 403408690 /nfs/dbraw/zinc/40/86/90/403408690.db2.gz YYOWBGPNALMCLC-KGLIPLIRSA-N 0 3 323.849 2.329 20 30 DEEDHN N#Cc1ccc(OCCN2CCC3(CC2)OCCCO3)cc1 ZINC000293210786 403416675 /nfs/dbraw/zinc/41/66/75/403416675.db2.gz YGLZPQNUJLCMCE-UHFFFAOYSA-N 0 3 302.374 2.166 20 30 DEEDHN N#CCCN(C(=O)CN[C@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000285980097 403424292 /nfs/dbraw/zinc/42/42/92/403424292.db2.gz FGRFNLJBMAONDE-WBVHZDCISA-N 0 3 315.417 2.074 20 30 DEEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccc(=O)[nH]n1 ZINC000285994800 403426609 /nfs/dbraw/zinc/42/66/09/403426609.db2.gz IFXBIOBVGLWCEV-LBPRGKRZSA-N 0 3 314.414 2.226 20 30 DEEDHN Cc1ncc(CO)c(/C=N/C[C@H](C)[NH+]2CCCCCC2)c1[O-] ZINC000298626535 403427333 /nfs/dbraw/zinc/42/73/33/403427333.db2.gz CAKNMWCUWFPRQG-FHXOWUIVSA-N 0 3 305.422 2.271 20 30 DEEDHN N#CCCOCCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000293511889 403491721 /nfs/dbraw/zinc/49/17/21/403491721.db2.gz IDIBDRIICUFKMT-SFHVURJKSA-N 0 3 302.418 2.234 20 30 DEEDHN C#CCNC(=O)CCN(CC)Cc1cccc(Br)c1 ZINC000293437090 403472169 /nfs/dbraw/zinc/47/21/69/403472169.db2.gz JQQWWOGIWCXNJE-UHFFFAOYSA-N 0 3 323.234 2.411 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)C(C)C#N)N1CCCC1 ZINC000345674361 403431797 /nfs/dbraw/zinc/43/17/97/403431797.db2.gz VKDSWRCLKBDSKP-HIFRSBDPSA-N 0 3 301.390 2.108 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](C)c2ccc(F)cc2)CC1 ZINC000299137552 403532129 /nfs/dbraw/zinc/53/21/29/403532129.db2.gz QWEKARMEKADYDW-AWEZNQCLSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN(CC)C[C@@H](O)COc1ccc(CC=C)cc1OC ZINC000299174458 403540923 /nfs/dbraw/zinc/54/09/23/403540923.db2.gz WAFULYTWJMNTSG-MRXNPFEDSA-N 0 3 303.402 2.119 20 30 DEEDHN C[C@@H](CN1CCCCC1)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000286310425 403495889 /nfs/dbraw/zinc/49/58/89/403495889.db2.gz ZBKQGMJTLDUPHC-NSHDSACASA-N 0 3 303.366 2.335 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c([C@H](C)O)c2)CC1 ZINC000286416210 403521678 /nfs/dbraw/zinc/52/16/78/403521678.db2.gz QQTIWEXHQPLKNT-LBPRGKRZSA-N 0 3 304.365 2.163 20 30 DEEDHN C=CCc1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc(OC)c1O ZINC000346336810 403585434 /nfs/dbraw/zinc/58/54/34/403585434.db2.gz PPMKNRVJOICFPX-JYJNAYRXSA-N 0 3 303.402 2.332 20 30 DEEDHN COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000346514433 403592352 /nfs/dbraw/zinc/59/23/52/403592352.db2.gz UUDDEUSVXVFMDA-QAPCUYQASA-N 0 3 314.385 2.171 20 30 DEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000346161617 403576544 /nfs/dbraw/zinc/57/65/44/403576544.db2.gz DROAHEXSRBITGV-ZWNOBZJWSA-N 0 3 310.300 2.348 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346191003 403578841 /nfs/dbraw/zinc/57/88/41/403578841.db2.gz LZXDGMRNLGYNMN-VIQHNZTISA-N 0 3 306.450 2.156 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000346242978 403581655 /nfs/dbraw/zinc/58/16/55/403581655.db2.gz WGXPWCOKAFAEPN-CQSZACIVSA-N 0 3 305.382 2.495 20 30 DEEDHN CC(C#N)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000347055357 403613536 /nfs/dbraw/zinc/61/35/36/403613536.db2.gz VEJDVOHJSMYBJH-JTQLQIEISA-N 0 3 311.179 2.446 20 30 DEEDHN COC(=O)[C@@H](CNC(=O)C(C)C#N)Cc1cccc2ccccc21 ZINC000347101931 403615562 /nfs/dbraw/zinc/61/55/62/403615562.db2.gz HAKDWQQOPWNITD-CZUORRHYSA-N 0 3 324.380 2.447 20 30 DEEDHN COc1ccc(C)cc1C1(CNC(=O)C(C)C#N)CCOCC1 ZINC000347084472 403615676 /nfs/dbraw/zinc/61/56/76/403615676.db2.gz ZEVIZCQGEVZVMY-CQSZACIVSA-N 0 3 316.401 2.328 20 30 DEEDHN Cc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)ncn1 ZINC000301283277 403610140 /nfs/dbraw/zinc/61/01/40/403610140.db2.gz YLPFYDAOYGRIHD-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CC(C#N)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000347032609 403611642 /nfs/dbraw/zinc/61/16/42/403611642.db2.gz GNNZIVMXMKSOAS-SSDOTTSWSA-N 0 3 300.145 2.208 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cnccn3)C2)c(F)c1 ZINC000567025677 292283956 /nfs/dbraw/zinc/28/39/56/292283956.db2.gz WULPLRMGFSOXSL-CQSZACIVSA-N 0 3 311.364 2.246 20 30 DEEDHN CN(CCC(C)(C)C#N)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000347219116 403625847 /nfs/dbraw/zinc/62/58/47/403625847.db2.gz CQTSMUYAGVRBAC-HUUCEWRRSA-N 0 3 319.428 2.261 20 30 DEEDHN Cc1c(Cl)cnc(N2CCC(OCCN(C)C)CC2)c1C#N ZINC000343538424 403629103 /nfs/dbraw/zinc/62/91/03/403629103.db2.gz VOJDNXYBIWTRBP-UHFFFAOYSA-N 0 3 322.840 2.462 20 30 DEEDHN CCCN1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000343570833 403643730 /nfs/dbraw/zinc/64/37/30/403643730.db2.gz AMYHPYAFWCYDLD-GOEBONIOSA-N 0 3 315.417 2.316 20 30 DEEDHN C#CCN(CC)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000287756784 403661426 /nfs/dbraw/zinc/66/14/26/403661426.db2.gz LUVZCODOHQEYOJ-UHFFFAOYSA-N 0 3 324.428 2.207 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnccc1C#N ZINC000343725807 403708773 /nfs/dbraw/zinc/70/87/73/403708773.db2.gz FEOUBYLZYQLXNA-KSSFIOAISA-N 0 3 320.396 2.204 20 30 DEEDHN CC[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCCO1 ZINC000333167911 403684161 /nfs/dbraw/zinc/68/41/61/403684161.db2.gz PDVUOKJDNJTQDH-MJBXVCDLSA-N 0 3 319.430 2.272 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)C12CCCC2 ZINC000347707574 403816819 /nfs/dbraw/zinc/81/68/19/403816819.db2.gz QJDPDOUNEAVUNG-ZMSDIMECSA-N 0 3 319.449 2.122 20 30 DEEDHN N#CCCCOc1cccc(CNC[C@]2(O)CCSC2)c1 ZINC000304654349 403797950 /nfs/dbraw/zinc/79/79/50/403797950.db2.gz UDXBJIIPSCGVFH-MRXNPFEDSA-N 0 3 306.431 2.327 20 30 DEEDHN N#CC(C(=O)c1cc(F)ccc1-n1cccn1)c1ccncn1 ZINC000361792027 403867307 /nfs/dbraw/zinc/86/73/07/403867307.db2.gz ILZXUBDOSRBIEC-ZDUSSCGKSA-N 0 3 307.288 2.291 20 30 DEEDHN C[C@H]1[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCCN1C ZINC000354614896 403906499 /nfs/dbraw/zinc/90/64/99/403906499.db2.gz FXTISGXIRASLRA-BLLLJJGKSA-N 0 3 315.392 2.328 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000411646968 403923437 /nfs/dbraw/zinc/92/34/37/403923437.db2.gz NEXQQNNVILXIHH-UHFFFAOYSA-N 0 3 302.378 2.406 20 30 DEEDHN C=C[C@@H](C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000362702607 403981202 /nfs/dbraw/zinc/98/12/02/403981202.db2.gz FKSDXLNCZOEPAN-CQSZACIVSA-N 0 3 317.433 2.017 20 30 DEEDHN C=CCOCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000354744819 403982731 /nfs/dbraw/zinc/98/27/31/403982731.db2.gz TUFXTLOQPDGKGE-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCCCCC#N)Cc1ccccc1 ZINC000351888539 403986594 /nfs/dbraw/zinc/98/65/94/403986594.db2.gz IPGCFVZMQXJUKO-INIZCTEOSA-N 0 3 302.422 2.152 20 30 DEEDHN C=CCOCCCN1CCN(Cc2ccccc2OC)CC1 ZINC000348043290 404020278 /nfs/dbraw/zinc/02/02/78/404020278.db2.gz XUZLEAVUZAIGTH-UHFFFAOYSA-N 0 3 304.434 2.406 20 30 DEEDHN N#Cc1cc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)ccc1F ZINC000411967287 404035646 /nfs/dbraw/zinc/03/56/46/404035646.db2.gz MMMUHELAXRYHBJ-LJQANCHMSA-N 0 3 323.371 2.326 20 30 DEEDHN Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000348131804 404043239 /nfs/dbraw/zinc/04/32/39/404043239.db2.gz GEFGXYWCERCCDR-KRWDZBQOSA-N 0 3 304.353 2.260 20 30 DEEDHN C=CC1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000348184663 404049741 /nfs/dbraw/zinc/04/97/41/404049741.db2.gz KYLNTBMCRCVKMH-OAHLLOKOSA-N 0 3 321.417 2.342 20 30 DEEDHN C=CCOCCN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009052 404054908 /nfs/dbraw/zinc/05/49/08/404054908.db2.gz IUXIZERIJDDDSR-KRWDZBQOSA-N 0 3 305.418 2.309 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCCc2cccc(C#N)c2)CN1C1CC1 ZINC000344325520 404058944 /nfs/dbraw/zinc/05/89/44/404058944.db2.gz HPNHZALSYSISPT-CJNGLKHVSA-N 0 3 312.417 2.025 20 30 DEEDHN CN(C)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(F)cc1 ZINC000290281446 404110162 /nfs/dbraw/zinc/11/01/62/404110162.db2.gz ATSDRXFQZZSHJP-OAHLLOKOSA-N 0 3 300.337 2.058 20 30 DEEDHN C[C@](C#N)(NC(=O)CN[C@@H]1CCC(=O)NC12CCC2)C1CC1 ZINC000328699214 404132459 /nfs/dbraw/zinc/13/24/59/404132459.db2.gz MDJIPYSTZDEKQU-IUODEOHRSA-N 0 3 304.394 2.266 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000296227124 404152935 /nfs/dbraw/zinc/15/29/35/404152935.db2.gz MYJNMKRCUQHUQB-CVEARBPZSA-N 0 3 313.401 2.434 20 30 DEEDHN CN(C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)S(=O)(=O)C2CC2)C1 ZINC000328800756 404153334 /nfs/dbraw/zinc/15/33/34/404153334.db2.gz IRYUGGVWXINTEM-NWDGAFQWSA-N 0 3 316.467 2.172 20 30 DEEDHN C[C@H](NC(C)(C)CNC(=O)[C@H]1COCCN1C)c1ccccc1 ZINC000329052630 404214326 /nfs/dbraw/zinc/21/43/26/404214326.db2.gz WXUFFIXUKHFZHZ-GOEBONIOSA-N 0 3 319.449 2.403 20 30 DEEDHN CC1CCN(C[C@H](O)CNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000328946082 404179243 /nfs/dbraw/zinc/17/92/43/404179243.db2.gz JWJGFCUSQUYVLW-RRFJBIMHSA-N 0 3 310.438 2.041 20 30 DEEDHN C=CCn1c(CC(C)C)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000337836669 404268835 /nfs/dbraw/zinc/26/88/35/404268835.db2.gz CKQDEBPSQRMRTI-HNNXBMFYSA-N 0 3 305.470 2.439 20 30 DEEDHN C[C@H](NC(=O)N[C@@H](CCO)C1CCCCC1)C1=CCN(C)CC1 ZINC000329277073 404287449 /nfs/dbraw/zinc/28/74/49/404287449.db2.gz CHCGASMMFBSFIT-YOEHRIQHSA-N 0 3 323.481 2.472 20 30 DEEDHN Cc1noc([C@@H]2CCCCN2C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000329280330 404289389 /nfs/dbraw/zinc/28/93/89/404289389.db2.gz LZROAWGWDLHLHJ-YUTCNCBUSA-N 0 3 321.425 2.302 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000352323558 404289912 /nfs/dbraw/zinc/28/99/12/404289912.db2.gz CEDAKMNUOURBNJ-PMPSAXMXSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CNc1cccc(C#N)c1 ZINC000344659040 404290147 /nfs/dbraw/zinc/29/01/47/404290147.db2.gz HFKHADROGWZHFG-INIZCTEOSA-N 0 3 314.433 2.207 20 30 DEEDHN COc1cc(C#N)cc(Cl)c1OC[C@H](O)CN(C)C1CC1 ZINC000290849976 404336331 /nfs/dbraw/zinc/33/63/31/404336331.db2.gz XEYXHHZJQAFRNT-GFCCVEGCSA-N 0 3 310.781 2.054 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1noc2c1CCCC2 ZINC000329511250 404361844 /nfs/dbraw/zinc/36/18/44/404361844.db2.gz BZIOCWJMMWHJIR-ABAIWWIYSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000296564125 404308532 /nfs/dbraw/zinc/30/85/32/404308532.db2.gz XCSCICQOSYWJJV-ZDUSSCGKSA-N 0 3 307.463 2.242 20 30 DEEDHN CN1CCCC[C@H]1CCC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000329518448 404363208 /nfs/dbraw/zinc/36/32/08/404363208.db2.gz PQUNARKDKOEVEZ-ZDUSSCGKSA-N 0 3 316.467 2.175 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCC[C@H](C)C1 ZINC000355763311 404365521 /nfs/dbraw/zinc/36/55/21/404365521.db2.gz FNBLJIXDFWRUSY-GJZGRUSLSA-N 0 3 306.454 2.442 20 30 DEEDHN N#CCSCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296948777 404384977 /nfs/dbraw/zinc/38/49/77/404384977.db2.gz XUAABZPDBNTMSW-UHFFFAOYSA-N 0 3 303.431 2.397 20 30 DEEDHN C[C@H]1CSCCN(CC#CCN2CCSC[C@H](C)C2)C1 ZINC000342127170 404385249 /nfs/dbraw/zinc/38/52/49/404385249.db2.gz LRIPNMMJESEFSO-HZPDHXFCSA-N 0 3 312.548 2.360 20 30 DEEDHN CSCC[C@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)N(C)C ZINC000352495015 404411494 /nfs/dbraw/zinc/41/14/94/404411494.db2.gz HXJQBOURPFESFO-DOMZBBRYSA-N 0 3 305.447 2.419 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000350560717 404419796 /nfs/dbraw/zinc/41/97/96/404419796.db2.gz UWNKPMBHJLLESP-RDJZCZTQSA-N 0 3 314.433 2.310 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)c1coc(C2CCOCC2)n1 ZINC000329959620 404507885 /nfs/dbraw/zinc/50/78/85/404507885.db2.gz NHYZWHZTFWYLBH-CYBMUJFWSA-N 0 3 307.394 2.358 20 30 DEEDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccc(C#N)cc1 ZINC000350656948 404434728 /nfs/dbraw/zinc/43/47/28/404434728.db2.gz MFBTVUOWUMFYDK-UHFFFAOYSA-N 0 3 317.389 2.208 20 30 DEEDHN C=C(C)COc1cc(CNCCc2ncn(C)n2)ccc1OC ZINC000344926575 404450680 /nfs/dbraw/zinc/45/06/80/404450680.db2.gz ZACLZTVIQQFXKU-UHFFFAOYSA-N 0 3 316.405 2.111 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000329799150 404454106 /nfs/dbraw/zinc/45/41/06/404454106.db2.gz IBCNAGKUWIQFSJ-HIFRSBDPSA-N 0 3 319.453 2.232 20 30 DEEDHN Cc1nc(=O)[nH]c(C)c1CCC(=O)NC1(CN(C)C)CCC1 ZINC000329817961 404460406 /nfs/dbraw/zinc/46/04/06/404460406.db2.gz WYEZSKOIBMFJMH-UHFFFAOYSA-N 0 3 306.410 2.172 20 30 DEEDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000414188251 404541873 /nfs/dbraw/zinc/54/18/73/404541873.db2.gz QILPADPNDQJCAM-WQGACYEGSA-N 0 3 301.390 2.288 20 30 DEEDHN CC(C)(CCN[C@H]1CCc2ccc(C#N)cc21)S(C)(=O)=O ZINC000414252715 404556819 /nfs/dbraw/zinc/55/68/19/404556819.db2.gz HXYMHKLYAJZSMZ-HNNXBMFYSA-N 0 3 306.431 2.348 20 30 DEEDHN CC[C@H](C)n1ncc(NC(=O)N2CCN3CCC[C@@H]3C2)c1C ZINC000330140402 404563432 /nfs/dbraw/zinc/56/34/32/404563432.db2.gz WYZZSHPQTGSETH-GXTWGEPZSA-N 0 3 305.426 2.488 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)CN1CCOCC1 ZINC000297894295 404652219 /nfs/dbraw/zinc/65/22/19/404652219.db2.gz OIGAPMVBRBEXMU-INIZCTEOSA-N 0 3 301.434 2.491 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1c(C)cccc1Cl ZINC000414436772 404630276 /nfs/dbraw/zinc/63/02/76/404630276.db2.gz YUSXCNJYLDAXSD-NSHDSACASA-N 0 3 315.822 2.254 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000352804607 404634795 /nfs/dbraw/zinc/63/47/95/404634795.db2.gz MCDLNURKQKYTKL-PBHICJAKSA-N 0 3 300.402 2.418 20 30 DEEDHN C[C@@H]1CN(Cc2cc(C#N)n(C)c2)C[C@H]1C(=O)OC(C)(C)C ZINC000414569221 404684721 /nfs/dbraw/zinc/68/47/21/404684721.db2.gz OUHJQNAXQVZHKZ-IUODEOHRSA-N 0 3 303.406 2.306 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000330558722 404688182 /nfs/dbraw/zinc/68/81/82/404688182.db2.gz ICTNHMMFKRPYCQ-STQMWFEESA-N 0 3 320.462 2.363 20 30 DEEDHN Fc1ccc(C#CCN[C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000365620452 404701358 /nfs/dbraw/zinc/70/13/58/404701358.db2.gz HJWQYVQFBYHTNM-RBUKOAKNSA-N 0 3 316.420 2.410 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1c(F)cccc1C#N ZINC000353056962 404733026 /nfs/dbraw/zinc/73/30/26/404733026.db2.gz WKQNGJGBFBRSMZ-CYBMUJFWSA-N 0 3 303.381 2.040 20 30 DEEDHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(C)C#N)C1 ZINC000357788022 404743420 /nfs/dbraw/zinc/74/34/20/404743420.db2.gz HZXCEYXUMMJXBQ-ZYHUDNBSSA-N 0 3 307.781 2.203 20 30 DEEDHN CC(C#N)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000357828117 404745852 /nfs/dbraw/zinc/74/58/52/404745852.db2.gz NXJYQYSEEWMOEO-SOUVJXGZSA-N 0 3 315.417 2.072 20 30 DEEDHN C=CCC1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CCC1 ZINC000358503007 404765330 /nfs/dbraw/zinc/76/53/30/404765330.db2.gz MGUBBEQXVRCINE-UHFFFAOYSA-N 0 3 322.449 2.124 20 30 DEEDHN CC[C@H](COC)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356854244 404708497 /nfs/dbraw/zinc/70/84/97/404708497.db2.gz UFVZMVKZFKXAFO-GDBMZVCRSA-N 0 3 301.390 2.068 20 30 DEEDHN C[C@@H]1COCCN1CCNCc1cccc(OCCCC#N)c1 ZINC000356901952 404721352 /nfs/dbraw/zinc/72/13/52/404721352.db2.gz NGSRREYAUJLRCE-MRXNPFEDSA-N 0 3 317.433 2.179 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](COC(F)F)C1 ZINC000353025855 404724754 /nfs/dbraw/zinc/72/47/54/404724754.db2.gz SYPWGHHFAGBNHF-GFCCVEGCSA-N 0 3 323.343 2.448 20 30 DEEDHN C=CCc1cc(CNC[C@]2(OC)CCOC2)cc(OC)c1O ZINC000359622509 404799131 /nfs/dbraw/zinc/79/91/31/404799131.db2.gz HGVULMWTWDAWCK-QGZVFWFLSA-N 0 3 307.390 2.024 20 30 DEEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359918864 404809140 /nfs/dbraw/zinc/80/91/40/404809140.db2.gz SECORBQYOYIEFQ-AWEZNQCLSA-N 0 3 324.296 2.438 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000360016412 404812506 /nfs/dbraw/zinc/81/25/06/404812506.db2.gz MUTWJIDGMIMVLU-HUUCEWRRSA-N 0 3 315.479 2.305 20 30 DEEDHN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C#N)cc1C ZINC000360141186 404819772 /nfs/dbraw/zinc/81/97/72/404819772.db2.gz KKXSHGKRPIVHFJ-GXTWGEPZSA-N 0 3 317.414 2.303 20 30 DEEDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)N(C)C)cc1 ZINC000360299450 404824732 /nfs/dbraw/zinc/82/47/32/404824732.db2.gz QPSHPHKJDNUNIS-XJKSGUPXSA-N 0 3 303.406 2.352 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCc3c2cccc3O)cc1 ZINC000451176551 404889621 /nfs/dbraw/zinc/88/96/21/404889621.db2.gz QONXPKNSTAZAAF-KDOFPFPSSA-N 0 3 324.380 2.281 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451181290 404890523 /nfs/dbraw/zinc/89/05/23/404890523.db2.gz HPKKRKFOVNMBCO-YCPHGPKFSA-N 0 3 315.417 2.265 20 30 DEEDHN COc1cc(CNCc2ccnc(-n3cccn3)c2)ccc1C#N ZINC000366924379 404871589 /nfs/dbraw/zinc/87/15/89/404871589.db2.gz WVBOKYHBKHAVKO-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](CN)CCCC ZINC000415499419 404872192 /nfs/dbraw/zinc/87/21/92/404872192.db2.gz ORRXMGSIPIHLAV-HNNXBMFYSA-N 0 3 317.433 2.377 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCN3)CC1 ZINC000415861171 404958020 /nfs/dbraw/zinc/95/80/20/404958020.db2.gz IKQAMAZTYMITJP-UHFFFAOYSA-N 0 3 300.406 2.427 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)CC(C)(C)CO ZINC000451244832 404917766 /nfs/dbraw/zinc/91/77/66/404917766.db2.gz NTAZHMDJZKWIIC-INIZCTEOSA-N 0 3 307.434 2.105 20 30 DEEDHN Cc1cc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000434696392 404926354 /nfs/dbraw/zinc/92/63/54/404926354.db2.gz YIVKTSBUFWEDKS-IYBDPMFKSA-N 0 3 301.434 2.408 20 30 DEEDHN COCCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1ccccc1 ZINC000424095442 405004357 /nfs/dbraw/zinc/00/43/57/405004357.db2.gz NTKPAZJFUZXPJE-GDBMZVCRSA-N 0 3 303.406 2.244 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000424109761 405009632 /nfs/dbraw/zinc/00/96/32/405009632.db2.gz BPFVUJOXHQZDMK-XHSDSOJGSA-N 0 3 301.390 2.044 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000424109758 405009750 /nfs/dbraw/zinc/00/97/50/405009750.db2.gz BPFVUJOXHQZDMK-ARFHVFGLSA-N 0 3 301.390 2.044 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000424116791 405011410 /nfs/dbraw/zinc/01/14/10/405011410.db2.gz YCLXYUAOXTYUNX-ZIAGYGMSSA-N 0 3 314.414 2.370 20 30 DEEDHN CO[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424128240 405015283 /nfs/dbraw/zinc/01/52/83/405015283.db2.gz RHANBNHCKVJABC-KBPBESRZSA-N 0 3 309.797 2.165 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000424130728 405017170 /nfs/dbraw/zinc/01/71/70/405017170.db2.gz HRMNHXDBXQLONP-HNNXBMFYSA-N 0 3 320.824 2.010 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1OCC1CC1 ZINC000424135053 405018727 /nfs/dbraw/zinc/01/87/27/405018727.db2.gz YWDWXQGPAGAGMP-OAHLLOKOSA-N 0 3 301.390 2.113 20 30 DEEDHN CC(C)n1cnnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000435929293 405028546 /nfs/dbraw/zinc/02/85/46/405028546.db2.gz RZRJAVJMPKQERI-HNNXBMFYSA-N 0 3 311.389 2.248 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000424173207 405029722 /nfs/dbraw/zinc/02/97/22/405029722.db2.gz NWHHJOCLFWVGOJ-OAHLLOKOSA-N 0 3 307.344 2.477 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000424186846 405033749 /nfs/dbraw/zinc/03/37/49/405033749.db2.gz HXWNYJJHBFOSHJ-UONOGXRCSA-N 0 3 305.353 2.177 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000424063528 404991395 /nfs/dbraw/zinc/99/13/95/404991395.db2.gz MXUCIRZVOXWZJL-JTQLQIEISA-N 0 3 309.753 2.071 20 30 DEEDHN COc1cc(NC(=O)[C@@H](N)CCCC#N)c(OC)cc1Cl ZINC000424073022 404995458 /nfs/dbraw/zinc/99/54/58/404995458.db2.gz DUWYPFDVBCPGHT-JTQLQIEISA-N 0 3 311.769 2.317 20 30 DEEDHN N#Cc1ccc(OCCN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361437939 405075499 /nfs/dbraw/zinc/07/54/99/405075499.db2.gz RRUHXYKBFPIVHS-GOSISDBHSA-N 0 3 316.401 2.207 20 30 DEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000408122712 405116111 /nfs/dbraw/zinc/11/61/11/405116111.db2.gz ZALWRRRGMDOXBV-SMDDNHRTSA-N 0 3 318.808 2.305 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCSC1 ZINC000354284066 405140162 /nfs/dbraw/zinc/14/01/62/405140162.db2.gz LMMCOJOVZRWYQC-INIZCTEOSA-N 0 3 317.458 2.202 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CCO)CCCCC1 ZINC000452381461 405206467 /nfs/dbraw/zinc/20/64/67/405206467.db2.gz VVKYDSQGRAEQNT-MRXNPFEDSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(C)COCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000354349143 405169176 /nfs/dbraw/zinc/16/91/76/405169176.db2.gz SJBPPCNFOGKKNA-MRXNPFEDSA-N 0 3 323.412 2.320 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(CCN(C)Cc2ccccc2)C1=O ZINC000419919143 405271764 /nfs/dbraw/zinc/27/17/64/405271764.db2.gz AOSCDKAYYRJUHM-HNNXBMFYSA-N 0 3 301.390 2.005 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)[C@@H](C#N)CCc3ccccc3)[C@@H]2C1 ZINC000425069937 405243339 /nfs/dbraw/zinc/24/33/39/405243339.db2.gz WBVIAWZDOZWDNZ-FGTMMUONSA-N 0 3 311.429 2.312 20 30 DEEDHN COc1cc(CNC[C@@H]2CN(CC(C)C)CCO2)ccc1C#N ZINC000440803218 405327423 /nfs/dbraw/zinc/32/74/23/405327423.db2.gz CBUBYWHSEKQMJJ-QGZVFWFLSA-N 0 3 317.433 2.013 20 30 DEEDHN C=CC[C@@H]1N(CC(=O)N(C)CC(=O)OCC)CCCC1(C)C ZINC000444777616 405342756 /nfs/dbraw/zinc/34/27/56/405342756.db2.gz STCKEIMGDDMPPT-AWEZNQCLSA-N 0 3 310.438 2.075 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](O)C[C@@H]1C ZINC000429170642 405426254 /nfs/dbraw/zinc/42/62/54/405426254.db2.gz YBAODDPKEOLVIT-BHYGNILZSA-N 0 3 305.418 2.000 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc(C#N)s2)C1 ZINC000420785589 405383762 /nfs/dbraw/zinc/38/37/62/405383762.db2.gz UVBXOVAIKNEHJZ-GFCCVEGCSA-N 0 3 306.435 2.151 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN(C)C[C@@H]2CCCN2C)c1C ZINC000421001671 405425511 /nfs/dbraw/zinc/42/55/11/405425511.db2.gz LNLPBHDOWLOPKG-INIZCTEOSA-N 0 3 303.450 2.500 20 30 DEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C#N)o1 ZINC000429806479 405450650 /nfs/dbraw/zinc/45/06/50/405450650.db2.gz CJOISFAFNUEGPZ-UHFFFAOYSA-N 0 3 315.348 2.494 20 30 DEEDHN C=CCN1CCC(NC(=O)c2sc(COCC)nc2C)CC1 ZINC000448924265 405464384 /nfs/dbraw/zinc/46/43/84/405464384.db2.gz XSZFPPVJPOWPTG-UHFFFAOYSA-N 0 3 323.462 2.368 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000556295785 405471803 /nfs/dbraw/zinc/47/18/03/405471803.db2.gz HUKNEFSPRYZZBZ-CABCVRRESA-N 0 3 319.449 2.266 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000556329768 405474324 /nfs/dbraw/zinc/47/43/24/405474324.db2.gz HQTWBIIYGNFJNT-FMKPAKJESA-N 0 3 316.401 2.124 20 30 DEEDHN CC(C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000492077923 405480638 /nfs/dbraw/zinc/48/06/38/405480638.db2.gz MLUAOMHLJHTUBO-RWMBFGLXSA-N 0 3 307.394 2.146 20 30 DEEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1S(C)(=O)=O ZINC000430741849 405501009 /nfs/dbraw/zinc/50/10/09/405501009.db2.gz FEEXORKJAVWCEN-LBPRGKRZSA-N 0 3 322.430 2.443 20 30 DEEDHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCC1(CC#N)CC1 ZINC000430738633 405501264 /nfs/dbraw/zinc/50/12/64/405501264.db2.gz ZRBYWOSVSBXHHE-ZDUSSCGKSA-N 0 3 321.446 2.295 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000558520230 405667829 /nfs/dbraw/zinc/66/78/29/405667829.db2.gz QEHRYTBIMSBAKC-INIZCTEOSA-N 0 3 314.433 2.302 20 30 DEEDHN C=CCC[C@H](CO)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000449701395 405698554 /nfs/dbraw/zinc/69/85/54/405698554.db2.gz WFEVCBJUEQPYAC-LLVKDONJSA-N 0 3 315.316 2.433 20 30 DEEDHN C[C@H](N[C@H]1CCO[C@H]1c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000582396375 405720089 /nfs/dbraw/zinc/72/00/89/405720089.db2.gz ZLQJIMKBYUXWMV-BPUTZDHNSA-N 0 3 313.401 2.057 20 30 DEEDHN C[C@@H](CNC(=O)CNc1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000494543033 405716577 /nfs/dbraw/zinc/71/65/77/405716577.db2.gz FKKMLZSXAGDWDH-CABCVRRESA-N 0 3 314.433 2.349 20 30 DEEDHN CO[C@@]1(CNCC#Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000638905808 405752417 /nfs/dbraw/zinc/75/24/17/405752417.db2.gz VVBCOWXLBDZMNO-OAHLLOKOSA-N 0 3 313.319 2.452 20 30 DEEDHN COCc1ccc(NC(=O)NCCN2CCCCC2)cc1C#N ZINC000529213547 405752881 /nfs/dbraw/zinc/75/28/81/405752881.db2.gz ZSNDHXQPGWHGJM-UHFFFAOYSA-N 0 3 316.405 2.312 20 30 DEEDHN CC(C#N)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000495302393 405869029 /nfs/dbraw/zinc/86/90/29/405869029.db2.gz PYOZYEIRGPZCMI-MLGOLLRUSA-N 0 3 309.410 2.299 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCOCCC#N)CC[C@H]21 ZINC000495660716 405930013 /nfs/dbraw/zinc/93/00/13/405930013.db2.gz CERKEADYVZDHEE-LSDHHAIUSA-N 0 3 323.437 2.248 20 30 DEEDHN CN1CCC[C@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619759343 405931072 /nfs/dbraw/zinc/93/10/72/405931072.db2.gz DRUXAIOCMCJPTH-CYBMUJFWSA-N 0 3 320.824 2.353 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619759344 405931228 /nfs/dbraw/zinc/93/12/28/405931228.db2.gz DRUXAIOCMCJPTH-ZDUSSCGKSA-N 0 3 320.824 2.353 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCOCCC#N)C1 ZINC000495795570 405935094 /nfs/dbraw/zinc/93/50/94/405935094.db2.gz PTBAYMMYNBTYQE-AWEZNQCLSA-N 0 3 311.426 2.153 20 30 DEEDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(CC#N)ccn1 ZINC000531670848 405993054 /nfs/dbraw/zinc/99/30/54/405993054.db2.gz ITSDFVZLVXMMSV-BDJLRTHQSA-N 0 3 309.325 2.315 20 30 DEEDHN Cc1ccc2c(c1)[C@@H](NC[C@H](O)CN(C)CCC#N)CCC2 ZINC000566130746 406085937 /nfs/dbraw/zinc/08/59/37/406085937.db2.gz RQKBOILIUPJQSX-WMZOPIPTSA-N 0 3 301.434 2.168 20 30 DEEDHN C=CCC(C)(C)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000634194502 406050419 /nfs/dbraw/zinc/05/04/19/406050419.db2.gz UGJOPWDMMMXLLT-UHFFFAOYSA-N 0 3 302.422 2.374 20 30 DEEDHN N#CC1(NC(=O)CN2CCC[C@H]2[C@@H]2CCCOC2)CCCCC1 ZINC000564915939 406068831 /nfs/dbraw/zinc/06/88/31/406068831.db2.gz GHVBWYIERGWJSU-CVEARBPZSA-N 0 3 319.449 2.220 20 30 DEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ncc(C#N)cc1Cl ZINC000532891391 406106904 /nfs/dbraw/zinc/10/69/04/406106904.db2.gz PBDREKYZPVPOAY-GFCCVEGCSA-N 0 3 306.797 2.163 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(C)o2)CC1 ZINC000517998110 406128433 /nfs/dbraw/zinc/12/84/33/406128433.db2.gz WVNVXDJLDXIZTD-UHFFFAOYSA-N 0 3 305.422 2.470 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)s1 ZINC000518749621 406155913 /nfs/dbraw/zinc/15/59/13/406155913.db2.gz LYYHDYJXLMXINT-CYBMUJFWSA-N 0 3 318.446 2.436 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCCCn2ccnc2)CC1 ZINC000519282719 406188528 /nfs/dbraw/zinc/18/85/28/406188528.db2.gz MIVXTGFDNPINCA-UHFFFAOYSA-N 0 3 319.453 2.003 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](n2ccnn2)CC1 ZINC000639814871 406267076 /nfs/dbraw/zinc/26/70/76/406267076.db2.gz JDCICZSAZQUJNF-JKSUJKDBSA-N 0 3 319.453 2.118 20 30 DEEDHN COc1ccc2c(c1)CCCN(CCC(=O)N(C)CCC#N)C2 ZINC000538954707 406295415 /nfs/dbraw/zinc/29/54/15/406295415.db2.gz UZDPMYDUWLIIMN-UHFFFAOYSA-N 0 3 315.417 2.206 20 30 DEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)CCC(C)(C)C#N ZINC000569968498 406328430 /nfs/dbraw/zinc/32/84/30/406328430.db2.gz HLKKKJSEJUSOGD-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN C=CCCCCCN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000488203698 406301347 /nfs/dbraw/zinc/30/13/47/406301347.db2.gz WGMXMMAOOMAEGX-UHFFFAOYSA-N 0 3 302.422 2.049 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000489668593 406424652 /nfs/dbraw/zinc/42/46/52/406424652.db2.gz SJNLQUMSZFRWPE-HNNXBMFYSA-N 0 3 302.484 2.383 20 30 DEEDHN Cc1cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)ccc1C#N ZINC000488982142 406366851 /nfs/dbraw/zinc/36/68/51/406366851.db2.gz PXLNIZYGWSTTLG-HNNXBMFYSA-N 0 3 301.434 2.144 20 30 DEEDHN C#CCN(C(=O)NC[C@@]1(N(C)C)CCSC1)C1CCCC1 ZINC000490802949 406494188 /nfs/dbraw/zinc/49/41/88/406494188.db2.gz IQPLFDRFEMDSRO-INIZCTEOSA-N 0 3 309.479 2.011 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000360392400 286703107 /nfs/dbraw/zinc/70/31/07/286703107.db2.gz IUGYZFJQQYMJNT-UHOFOFEASA-N 0 3 317.458 2.166 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000571624949 406544340 /nfs/dbraw/zinc/54/43/40/406544340.db2.gz MTIARTNQDJPOOP-YJBOKZPZSA-N 0 3 324.428 2.472 20 30 DEEDHN C#CCN(C)CCCN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000491209901 406544634 /nfs/dbraw/zinc/54/46/34/406544634.db2.gz NKYCHSGALXSEDB-IBGZPJMESA-N 0 3 308.429 2.305 20 30 DEEDHN C#CCN1CCC(C(=O)NN2CCC(C(C)(C)C)CC2)CC1 ZINC000491325372 406569456 /nfs/dbraw/zinc/56/94/56/406569456.db2.gz BYXCUDAFQQDLQE-UHFFFAOYSA-N 0 3 305.466 2.121 20 30 DEEDHN C#CCN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000491228866 406548871 /nfs/dbraw/zinc/54/88/71/406548871.db2.gz CPNGWQSNHYOMTN-UKRRQHHQSA-N 0 3 305.447 2.406 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000491267425 406557740 /nfs/dbraw/zinc/55/77/40/406557740.db2.gz SYZIROYQJMVFTM-CYBMUJFWSA-N 0 3 319.371 2.316 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2C2CCC2)CC1 ZINC000571766525 406562628 /nfs/dbraw/zinc/56/26/28/406562628.db2.gz BCQRDRDRZMNMHV-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000525827446 406507703 /nfs/dbraw/zinc/50/77/03/406507703.db2.gz PNLKAUZIGDWCFT-RMHZUWNSSA-N 0 3 311.385 2.313 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1(CCOC)CCCCC1 ZINC000491451222 406595855 /nfs/dbraw/zinc/59/58/55/406595855.db2.gz DYVDKOBSFQBQBE-UHFFFAOYSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000491621423 406635730 /nfs/dbraw/zinc/63/57/30/406635730.db2.gz HBXYIIXMPRTQRM-INIZCTEOSA-N 0 3 314.429 2.403 20 30 DEEDHN CS[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1N1CCCC1 ZINC000352472386 286718993 /nfs/dbraw/zinc/71/89/93/286718993.db2.gz CRUFOMNJQOUHKG-KGLIPLIRSA-N 0 3 307.463 2.109 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000491371093 406579522 /nfs/dbraw/zinc/57/95/22/406579522.db2.gz CLKBGMQEFSBFRX-DOTOQJQBSA-N 0 3 314.433 2.129 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)Cc1ccccc1F ZINC000491370739 406579763 /nfs/dbraw/zinc/57/97/63/406579763.db2.gz APTJVHHIRGEWLP-AWEZNQCLSA-N 0 3 305.397 2.011 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000527128503 406586550 /nfs/dbraw/zinc/58/65/50/406586550.db2.gz LZHHRHCNTRHPIJ-BMFZPTHFSA-N 0 3 319.449 2.074 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000491440567 406594113 /nfs/dbraw/zinc/59/41/13/406594113.db2.gz PNMFDRSVUJGWJF-CYBMUJFWSA-N 0 3 301.381 2.066 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(CCC(C)C)c1CC ZINC000491734814 406694131 /nfs/dbraw/zinc/69/41/31/406694131.db2.gz SXTMBQLDXWGVOR-UHFFFAOYSA-N 0 3 318.465 2.177 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000491626858 406638138 /nfs/dbraw/zinc/63/81/38/406638138.db2.gz JEVHQVFOKCBLSB-CHWSQXEVSA-N 0 3 319.371 2.314 20 30 DEEDHN CC1=CCN(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527498097 406642877 /nfs/dbraw/zinc/64/28/77/406642877.db2.gz GGYQJXFOMOQNRY-GOSISDBHSA-N 0 3 322.412 2.009 20 30 DEEDHN C=C(C)CN1CCC(Nc2nc(C)cc(C(=O)OC)n2)CC1 ZINC000553074401 406733319 /nfs/dbraw/zinc/73/33/19/406733319.db2.gz GSUWPIXYLOZZDQ-UHFFFAOYSA-N 0 3 304.394 2.024 20 30 DEEDHN C=CCN1CCC(NCc2csc(-c3cnn(C)c3)n2)CC1 ZINC000527658288 406707465 /nfs/dbraw/zinc/70/74/65/406707465.db2.gz YCQPAQIMYPFGNN-UHFFFAOYSA-N 0 3 317.462 2.284 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000491771134 406710452 /nfs/dbraw/zinc/71/04/52/406710452.db2.gz QBCQMMOBSGVAKN-MRXNPFEDSA-N 0 3 323.440 2.485 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000491775875 406712190 /nfs/dbraw/zinc/71/21/90/406712190.db2.gz XMMTXCNTFGWYBU-UHFFFAOYSA-N 0 3 319.371 2.316 20 30 DEEDHN C=CCOCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000645969407 406725979 /nfs/dbraw/zinc/72/59/79/406725979.db2.gz YYVNRGNISQFUGE-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1CCCN1CC ZINC000641255868 406730586 /nfs/dbraw/zinc/73/05/86/406730586.db2.gz KLBUAMSEDQJSNY-AWEZNQCLSA-N 0 3 323.462 2.047 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2COCc3ccccc32)CC1 ZINC000574056571 406780155 /nfs/dbraw/zinc/78/01/55/406780155.db2.gz URRJYVVMYNDDDQ-KRWDZBQOSA-N 0 3 315.417 2.208 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(OCC#N)cc2)CCN1C ZINC000491933475 406782060 /nfs/dbraw/zinc/78/20/60/406782060.db2.gz BVQNMOINCJWOBD-IRHPPKKSSA-N 0 3 313.401 2.201 20 30 DEEDHN C=CCC(C)(C)CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000554434003 406797731 /nfs/dbraw/zinc/79/77/31/406797731.db2.gz XWHAPPCGGZCKNZ-IBGZPJMESA-N 0 3 316.445 2.342 20 30 DEEDHN C=CCOc1ccc(/C=C\C(=O)N(C)CCN(C)C)cc1OC ZINC000492044661 406821004 /nfs/dbraw/zinc/82/10/04/406821004.db2.gz SQUWQUMOINIALY-NTMALXAHSA-N 0 3 318.417 2.293 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)OC3(CCC3)C2)CC1 ZINC000575799129 406826619 /nfs/dbraw/zinc/82/66/19/406826619.db2.gz UNZVTECKKAKOLZ-OAHLLOKOSA-N 0 3 321.465 2.380 20 30 DEEDHN CC(=O)c1cccc(OC[C@H](O)CNCC(C)(C)CC#N)c1 ZINC000576030144 406828143 /nfs/dbraw/zinc/82/81/43/406828143.db2.gz OZHRFSCMKCBTCS-OAHLLOKOSA-N 0 3 304.390 2.158 20 30 DEEDHN CN(CCCN(C)C(=O)CC(C)(C)C#N)Cc1ccncc1 ZINC000576641791 406832544 /nfs/dbraw/zinc/83/25/44/406832544.db2.gz VWAUYVFWSCRXQW-UHFFFAOYSA-N 0 3 302.422 2.302 20 30 DEEDHN N#CCC[C@@H](C#N)CNCCCCN1C(=O)c2ccccc2C1=O ZINC000577205541 406835850 /nfs/dbraw/zinc/83/58/50/406835850.db2.gz LCSLNVHJTZLKLJ-AWEZNQCLSA-N 0 3 324.384 2.096 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000555564237 406847945 /nfs/dbraw/zinc/84/79/45/406847945.db2.gz FUFQZMKJRZVWBM-AWEZNQCLSA-N 0 3 300.406 2.112 20 30 DEEDHN N#Cc1cccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c1F ZINC000555759035 406853381 /nfs/dbraw/zinc/85/33/81/406853381.db2.gz DVNXYBDZBMASMN-IAGOWNOFSA-N 0 3 304.365 2.107 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000641768737 406888538 /nfs/dbraw/zinc/88/85/38/406888538.db2.gz GXBSUGRGGXBMEQ-HNNXBMFYSA-N 0 3 303.793 2.390 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnn(C)c1CC)C(C)C ZINC000642563376 406926495 /nfs/dbraw/zinc/92/64/95/406926495.db2.gz FNGDWMOMLBLYQT-QGZVFWFLSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC3(C[C@@H]2C)CCOCC3)CC1 ZINC000645232638 407251223 /nfs/dbraw/zinc/25/12/23/407251223.db2.gz KLVAAORFMNNODI-HNNXBMFYSA-N 0 3 321.465 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000132900556 196294566 /nfs/dbraw/zinc/29/45/66/196294566.db2.gz OXHULLXWZAWGIT-GOSISDBHSA-N 0 3 314.429 2.457 20 30 DEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000340440652 226201707 /nfs/dbraw/zinc/20/17/07/226201707.db2.gz QGLYZDYWJDARDB-ZWNOBZJWSA-N 0 3 310.300 2.348 20 30 DEEDHN COc1cc(NC(=O)N(C)CCC#N)ccc1OCCN(C)C ZINC000417648958 229063868 /nfs/dbraw/zinc/06/38/68/229063868.db2.gz IIJGUPDSLVBVFK-UHFFFAOYSA-N 0 3 320.393 2.013 20 30 DEEDHN C[C@@H]1C[C@@H](CO)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000421935420 230027993 /nfs/dbraw/zinc/02/79/93/230027993.db2.gz AEXURCVCTZOUSI-DJIMGWMZSA-N 0 3 300.402 2.236 20 30 DEEDHN Cc1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nc1C#N ZINC000302638071 230326388 /nfs/dbraw/zinc/32/63/88/230326388.db2.gz KRUPIMWUWLMANF-DLBZAZTESA-N 0 3 322.412 2.309 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCOc2ccc(F)cc2)C[C@H]1C ZINC001328267009 1148758868 /nfs/dbraw/zinc/75/88/68/1148758868.db2.gz MKNKFEYFKUKNIH-ZBFHGGJFSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCONC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000834934082 649861467 /nfs/dbraw/zinc/86/14/67/649861467.db2.gz HMTMTDWUBFEALG-INIZCTEOSA-N 0 3 303.406 2.240 20 30 DEEDHN CN1CCC(n2ccc(NCc3ccc(C#N)c(F)c3)n2)CC1 ZINC000564808636 424903040 /nfs/dbraw/zinc/90/30/40/424903040.db2.gz CDWJCFJKSFGHAL-UHFFFAOYSA-N 0 3 313.380 2.773 20 30 DEEDHN C=CCCOCCCCC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000649130671 424959477 /nfs/dbraw/zinc/95/94/77/424959477.db2.gz QUUXSBNERZYEGU-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN COCCCN1CCC(Nc2nc(C#N)c(Cl)s2)CC1 ZINC000590576448 424997958 /nfs/dbraw/zinc/99/79/58/424997958.db2.gz SIDXOUFYSMAMDS-UHFFFAOYSA-N 0 3 314.842 2.581 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](C)N2CCc3ccccc3C2)n1 ZINC000596077724 425017635 /nfs/dbraw/zinc/01/76/35/425017635.db2.gz XKAMZSXKIDBCIN-AWEZNQCLSA-N 0 3 321.428 2.769 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)OC[C@H]2C)CC1 ZINC000650851856 425066924 /nfs/dbraw/zinc/06/69/24/425066924.db2.gz HKCGJNRJUGWONW-ZBFHGGJFSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649746265 425073981 /nfs/dbraw/zinc/07/39/81/425073981.db2.gz SOTYPKWQNZUBGZ-UHFFFAOYSA-N 0 3 308.447 2.491 20 30 DEEDHN C=CCN(C)CCN(CC)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000653647375 425200517 /nfs/dbraw/zinc/20/05/17/425200517.db2.gz INTVIZDKIBYGDS-LJQANCHMSA-N 0 3 317.477 2.332 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(COC2)C1)C(C)C ZINC000663667946 425209702 /nfs/dbraw/zinc/20/97/02/425209702.db2.gz JKDROTLIYMSIMW-INIZCTEOSA-N 0 3 321.465 2.117 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](OC)C2CCCC2)CC1 ZINC000660704342 425211856 /nfs/dbraw/zinc/21/18/56/425211856.db2.gz MHDYXUQUTUPUCF-MRXNPFEDSA-N 0 3 309.454 2.141 20 30 DEEDHN O=C(NCC#Cc1ccccc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654362377 425333507 /nfs/dbraw/zinc/33/35/07/425333507.db2.gz PGDKHMPYPQMFMM-QZTJIDSGSA-N 0 3 311.429 2.354 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(O)CCC(C)CC2)CC1 ZINC000664015885 425289719 /nfs/dbraw/zinc/28/97/19/425289719.db2.gz LMTYUCUEUOPICK-UHFFFAOYSA-N 0 3 323.481 2.267 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)[C@@H]2CCO)CC1 ZINC000664015008 425290448 /nfs/dbraw/zinc/29/04/48/425290448.db2.gz CRADRZKFAHAQQM-WBVHZDCISA-N 0 3 323.481 2.219 20 30 DEEDHN CCCN(CCN1CCCOCC1)Cc1ccc(C#N)cc1 ZINC000429728082 267012987 /nfs/dbraw/zinc/01/29/87/267012987.db2.gz ULHXWAXMVDJUSJ-UHFFFAOYSA-N 0 3 301.434 2.493 20 30 DEEDHN Cc1cnc(CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N)s1 ZINC001368908550 1148762720 /nfs/dbraw/zinc/76/27/20/1148762720.db2.gz YRLCRZJXDKRNON-LLVKDONJSA-N 0 3 308.451 2.185 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000661378503 425393968 /nfs/dbraw/zinc/39/39/68/425393968.db2.gz HPMNMTZLMXRNQJ-ZACQAIPSSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN(C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@@H](C)COC ZINC000664783859 425454231 /nfs/dbraw/zinc/45/42/31/425454231.db2.gz JFTQZBYZMWOPTQ-LSDHHAIUSA-N 0 3 311.470 2.339 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664806799 425457819 /nfs/dbraw/zinc/45/78/19/425457819.db2.gz OUTFDVGNSWCPEK-OAGGEKHMSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000664870279 425469325 /nfs/dbraw/zinc/46/93/25/425469325.db2.gz XORRRUAKOVAABA-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661984798 425536403 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/nfs/dbraw/zinc/02/04/97/274020497.db2.gz BZGWMXXFXYOZSW-UHFFFAOYSA-N 0 3 314.433 2.355 20 30 DEEDHN COC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000181561846 274050862 /nfs/dbraw/zinc/05/08/62/274050862.db2.gz ZRUDTJRKSBYVLH-YGRLFVJLSA-N 0 3 305.378 2.110 20 30 DEEDHN CSCC[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)N(C)C ZINC000353648413 274176879 /nfs/dbraw/zinc/17/68/79/274176879.db2.gz AGELAELKGFSGQH-HOTGVXAUSA-N 0 3 317.458 2.345 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(C#N)c2C)C[C@H]1N(C)C ZINC000330839715 274181606 /nfs/dbraw/zinc/18/16/06/274181606.db2.gz ZBKIKJOPRAHIMS-HUUCEWRRSA-N 0 3 318.446 2.390 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c(F)cccc2C#N)C1 ZINC000354358274 277156915 /nfs/dbraw/zinc/15/69/15/277156915.db2.gz JPXLSZANXGKFET-RHSMWYFYSA-N 0 3 315.392 2.183 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185795889 277291633 /nfs/dbraw/zinc/29/16/33/277291633.db2.gz KHWXXHAXHVZNRZ-KCQAQPDRSA-N 0 3 321.446 2.328 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000439638462 277312558 /nfs/dbraw/zinc/31/25/58/277312558.db2.gz VTOMPIVEROBZTE-HZSPNIEDSA-N 0 3 307.438 2.121 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299301062 277644383 /nfs/dbraw/zinc/64/43/83/277644383.db2.gz MYWIKUNSJZTOLS-BRWVUGGUSA-N 0 3 313.401 2.211 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000435673188 277797752 /nfs/dbraw/zinc/79/77/52/277797752.db2.gz MJGRNDJOOXAGFM-BBWFWOEESA-N 0 3 302.418 2.387 20 30 DEEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCO1 ZINC000184069625 278368921 /nfs/dbraw/zinc/36/89/21/278368921.db2.gz YLVHBWFRYLNDBF-KBRIMQKVSA-N 0 3 313.401 2.211 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000365845024 279172274 /nfs/dbraw/zinc/17/22/74/279172274.db2.gz BMDJLYPXSBRMPO-ZACQAIPSSA-N 0 3 321.465 2.154 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451425015 280102540 /nfs/dbraw/zinc/10/25/40/280102540.db2.gz TVSAGXRXDPCHDH-XSDHEKCYSA-N 0 3 321.465 2.055 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C(N)=O)cc1 ZINC000133228061 282012107 /nfs/dbraw/zinc/01/21/07/282012107.db2.gz LAXAKIUKYPJMEG-RDGPPVDQSA-N 0 3 317.392 2.260 20 30 DEEDHN N#CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000273212800 294802323 /nfs/dbraw/zinc/80/23/23/294802323.db2.gz SDOGYWQSHOYXED-CYBMUJFWSA-N 0 3 306.435 2.488 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC([C@@H]2CCCO2)CC1 ZINC000329604742 295384310 /nfs/dbraw/zinc/38/43/10/295384310.db2.gz LWWPCFIEMWKLSM-CJNGLKHVSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC([C@@H]2CCCO2)CC1 ZINC000329604742 295384312 /nfs/dbraw/zinc/38/43/12/295384312.db2.gz LWWPCFIEMWKLSM-CJNGLKHVSA-N 0 3 318.421 2.072 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)CN1C1CC1 ZINC000329731488 297320757 /nfs/dbraw/zinc/32/07/57/297320757.db2.gz GRZXVYHCGCTIPJ-HQHYIBOGSA-N 0 3 307.438 2.073 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCc1cc(C#N)ccc1F ZINC000073664512 298569530 /nfs/dbraw/zinc/56/95/30/298569530.db2.gz OXFFYFFGLXJIEH-CYBMUJFWSA-N 0 3 318.396 2.371 20 30 DEEDHN CO[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC001349821978 1151291458 /nfs/dbraw/zinc/29/14/58/1151291458.db2.gz CMZXYQQBUACLJB-GJZGRUSLSA-N 0 3 307.369 2.041 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000575103987 326218603 /nfs/dbraw/zinc/21/86/03/326218603.db2.gz BXQKIICFWBWSOF-DUOKCRBOSA-N 0 3 309.413 2.261 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000518729204 332137380 /nfs/dbraw/zinc/13/73/80/332137380.db2.gz OEZIXAKNZMNHTF-RHSMWYFYSA-N 0 3 315.417 2.435 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC000584331803 333120639 /nfs/dbraw/zinc/12/06/39/333120639.db2.gz UUNLQMSLICVTBR-CQSZACIVSA-N 0 3 303.406 2.006 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000160328906 333222397 /nfs/dbraw/zinc/22/23/97/333222397.db2.gz 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/nfs/dbraw/zinc/00/89/81/338008981.db2.gz CBJCFRMQFZAXMS-HIFRSBDPSA-N 0 3 305.447 2.019 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496248674 340001509 /nfs/dbraw/zinc/00/15/09/340001509.db2.gz RYSYVFSGYQJPAR-ILXRZTDVSA-N 0 3 323.437 2.104 20 30 DEEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCOCCC#N)C1 ZINC000496399803 340004646 /nfs/dbraw/zinc/00/46/46/340004646.db2.gz CWSVBKWDNSDILG-KGLIPLIRSA-N 0 3 311.426 2.152 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496455362 340005788 /nfs/dbraw/zinc/00/57/88/340005788.db2.gz IYTAEVAYCUMVCJ-RBSFLKMASA-N 0 3 310.438 2.255 20 30 DEEDHN C[C@@H](C#N)OCCN(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496466967 340006002 /nfs/dbraw/zinc/00/60/02/340006002.db2.gz CWERVXKJPMHYMP-GXTWGEPZSA-N 0 3 311.426 2.150 20 30 DEEDHN CC(C#N)C(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000496579501 340008168 /nfs/dbraw/zinc/00/81/68/340008168.db2.gz BWCTVBFJSRJYOG-GFCCVEGCSA-N 0 3 309.410 2.299 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496982301 340017517 /nfs/dbraw/zinc/01/75/17/340017517.db2.gz OOCXKWNFFSNVSN-UPJWGTAASA-N 0 3 309.410 2.346 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCc2sc(Cl)cc21 ZINC000572512845 340134653 /nfs/dbraw/zinc/13/46/53/340134653.db2.gz LZGRBLVVGVXRHT-JQWIXIFHSA-N 0 3 313.854 2.185 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)c(C)s2)cn1 ZINC000505406979 340167806 /nfs/dbraw/zinc/16/78/06/340167806.db2.gz BGORNXOOCOAUOP-LLVKDONJSA-N 0 3 302.359 2.409 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000542826623 341022420 /nfs/dbraw/zinc/02/24/20/341022420.db2.gz NXMZFNHWXDYUNB-ZDUSSCGKSA-N 0 3 301.390 2.027 20 30 DEEDHN COc1ccc(OC2CCN(CCOCCC#N)CC2)cc1 ZINC000549769445 341302778 /nfs/dbraw/zinc/30/27/78/341302778.db2.gz YBENFSHYQOPFPU-UHFFFAOYSA-N 0 3 304.390 2.469 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000551829857 341353327 /nfs/dbraw/zinc/35/33/27/341353327.db2.gz SCFBMLDPGOCGJX-MRXNPFEDSA-N 0 3 307.482 2.216 20 30 DEEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000249489546 341398310 /nfs/dbraw/zinc/39/83/10/341398310.db2.gz DUBMHYBJBKURDD-IIAWOOMASA-N 0 3 309.479 2.449 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)[C@H]1C ZINC001089015422 782111898 /nfs/dbraw/zinc/11/18/98/782111898.db2.gz WWDIJGGRRZGHSY-PBHICJAKSA-N 0 3 313.445 2.448 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC(=O)Nc1ccc(C)cc1Cl ZINC001357227113 1152273807 /nfs/dbraw/zinc/27/38/07/1152273807.db2.gz NXCIIXWRKYVQRM-CYBMUJFWSA-N 0 3 323.824 2.387 20 30 DEEDHN Cc1cccnc1CNCC1(NC(=O)[C@@H](C)C#N)CCCCC1 ZINC001378401731 1152317982 /nfs/dbraw/zinc/31/79/82/1152317982.db2.gz WOAYXZCSXQXIGN-HNNXBMFYSA-N 0 3 314.433 2.458 20 30 DEEDHN C=C(Br)CNC[C@H](NC(=O)C(F)F)C(C)(C)C ZINC001369532384 1149024070 /nfs/dbraw/zinc/02/40/70/1149024070.db2.gz HWMBXALLRQRULS-QMMMGPOBSA-N 0 3 313.186 2.281 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001330060589 1149043409 /nfs/dbraw/zinc/04/34/09/1149043409.db2.gz LFCAFQIAJCTDJZ-QAPCUYQASA-N 0 3 313.445 2.281 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)n2cccn2)CCCC1 ZINC001378694390 1152417039 /nfs/dbraw/zinc/41/70/39/1152417039.db2.gz ZPGHDWGIXUWVTM-ZDUSSCGKSA-N 0 3 310.829 2.215 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001330174002 1149060440 /nfs/dbraw/zinc/06/04/40/1149060440.db2.gz CFSAVEVMJOCDNN-UKYUDJEDSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1c(Br)cnn1C ZINC001473431346 1152427023 /nfs/dbraw/zinc/42/70/23/1152427023.db2.gz BEGGZJXTFPRALG-UHFFFAOYSA-N 0 3 315.259 2.122 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)s1 ZINC000422214083 533894911 /nfs/dbraw/zinc/89/49/11/533894911.db2.gz GSILHQUIDYKWQC-FZMZJTMJSA-N 0 3 306.435 2.101 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnn(C)c1C ZINC001099101894 782157831 /nfs/dbraw/zinc/15/78/31/782157831.db2.gz GKRDCUCNDLWEBD-MRXNPFEDSA-N 0 3 318.465 2.064 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)c3ccccc3)[C@@H]2C1 ZINC001330338841 1149094695 /nfs/dbraw/zinc/09/46/95/1149094695.db2.gz HSNUPJDWYZKPIT-NXOAAHMSSA-N 0 3 300.377 2.015 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001330340315 1149095255 /nfs/dbraw/zinc/09/52/55/1149095255.db2.gz PCZJKGADMAFCSZ-DSLXNQLJSA-N 0 3 310.441 2.416 20 30 DEEDHN COc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000424111983 534017577 /nfs/dbraw/zinc/01/75/77/534017577.db2.gz HVCUTBROLQDMTM-AWEZNQCLSA-N 0 3 303.406 2.154 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCc4ccccc43)[C@@H]2C1 ZINC001330347041 1149096753 /nfs/dbraw/zinc/09/67/53/1149096753.db2.gz MIYGQMSJHPQWTA-AFYVEPGGSA-N 0 3 322.452 2.424 20 30 DEEDHN C[C@@H]1CCN(c2ccc(C#N)nn2)CCN1Cc1ccccc1 ZINC000302019154 534056578 /nfs/dbraw/zinc/05/65/78/534056578.db2.gz ZUSRLNADQRSDLR-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](NCCOc1cccc(C#N)c1)C(N)=O ZINC000428849978 534115868 /nfs/dbraw/zinc/11/58/68/534115868.db2.gz KPCZTURQLHOFIV-KBXCAEBGSA-N 0 3 323.396 2.184 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)O)C1 ZINC000330703506 534131280 /nfs/dbraw/zinc/13/12/80/534131280.db2.gz KYRCCXLGEAVCPO-HIFRSBDPSA-N 0 3 305.422 2.096 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001358794667 1152485820 /nfs/dbraw/zinc/48/58/20/1152485820.db2.gz KOBNRZZULSASES-MSOLQXFVSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000451594098 534610435 /nfs/dbraw/zinc/61/04/35/534610435.db2.gz AFBWYYHSLAPTAO-SRABZTEZSA-N 0 3 302.418 2.494 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000451608377 534610760 /nfs/dbraw/zinc/61/07/60/534610760.db2.gz SAKXJJLLRWUASJ-WQVCFCJDSA-N 0 3 304.390 2.345 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000451606656 534610911 /nfs/dbraw/zinc/61/09/11/534610911.db2.gz NKTDDROHDULKLM-PMPSAXMXSA-N 0 3 304.365 2.254 20 30 DEEDHN N#CCCCS(=O)(=O)NC[C@@H]1CCCN1C1CCCCC1 ZINC000373905062 534626507 /nfs/dbraw/zinc/62/65/07/534626507.db2.gz QIYHFVKXUXWORK-HNNXBMFYSA-N 0 3 313.467 2.007 20 30 DEEDHN N#CCOc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000268979649 534693355 /nfs/dbraw/zinc/69/33/55/534693355.db2.gz QHDARRLMTCYMDU-HOTGVXAUSA-N 0 3 304.415 2.295 20 30 DEEDHN N#CCOc1ccc(CN2CCC(CCC(N)=O)CC2)cc1 ZINC000270997495 534694220 /nfs/dbraw/zinc/69/42/20/534694220.db2.gz CIDAPUNEPDVFKM-UHFFFAOYSA-N 0 3 301.390 2.066 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1cc(C#N)cs1 ZINC000339324711 523556528 /nfs/dbraw/zinc/55/65/28/523556528.db2.gz AJSFTDFHQBUWTL-UONOGXRCSA-N 0 3 302.403 2.456 20 30 DEEDHN N#Cc1ccc(CN2CCN(CCC3CCOCC3)CC2)cc1 ZINC000292572585 534781317 /nfs/dbraw/zinc/78/13/17/534781317.db2.gz IZMNDXCCPCDILQ-UHFFFAOYSA-N 0 3 313.445 2.493 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000156690960 524632229 /nfs/dbraw/zinc/63/22/29/524632229.db2.gz PBFRNEWJYLCDOH-GUYCJALGSA-N 0 3 308.385 2.137 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnc(C)n1C ZINC001378931235 1152495586 /nfs/dbraw/zinc/49/55/86/1152495586.db2.gz ZPRQIUPKPCABRF-SMDDNHRTSA-N 0 3 324.856 2.311 20 30 DEEDHN C=CCN(CCOC)CCC(=O)NCc1ccccc1Cl ZINC000191085702 526300422 /nfs/dbraw/zinc/30/04/22/526300422.db2.gz GFJPXUBDYPLVII-UHFFFAOYSA-N 0 3 310.825 2.481 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@](C)(OC)c2ccccc2F)CC1 ZINC000192070587 526445356 /nfs/dbraw/zinc/44/53/56/526445356.db2.gz DMXKZQWMCDENBH-SFHVURJKSA-N 0 3 320.408 2.454 20 30 DEEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCOc3ccccc32)C1=O ZINC000369066886 526501142 /nfs/dbraw/zinc/50/11/42/526501142.db2.gz SZDSPBQHLMOMFY-HOCLYGCPSA-N 0 3 300.402 2.271 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000374508242 526527154 /nfs/dbraw/zinc/52/71/54/526527154.db2.gz USHOXGRICSUMRY-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C(=O)NCCC)C1 ZINC000250573941 526536440 /nfs/dbraw/zinc/53/64/40/526536440.db2.gz YLIVXEJGZIXNAG-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(COC)CCC2)CC1 ZINC000337015126 526588400 /nfs/dbraw/zinc/58/84/00/526588400.db2.gz KPQGPPPFEPSTJU-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN N#Cc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000365661448 526625487 /nfs/dbraw/zinc/62/54/87/526625487.db2.gz KCLSRXCQMNBRBD-SJORKVTESA-N 0 3 300.402 2.358 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCCCN2)cc1 ZINC000368531241 526652051 /nfs/dbraw/zinc/65/20/51/526652051.db2.gz AKDDEJSOJMOQTK-OAHLLOKOSA-N 0 3 301.390 2.073 20 30 DEEDHN CN1CC[C@@H]2CN(Cc3ccc(C#N)cc3OC(F)F)C[C@@H]21 ZINC000451625391 536467405 /nfs/dbraw/zinc/46/74/05/536467405.db2.gz CKTYEFKGBYHBLA-OCCSQVGLSA-N 0 3 307.344 2.296 20 30 DEEDHN C#CCCCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000192142400 526682537 /nfs/dbraw/zinc/68/25/37/526682537.db2.gz MTYUWKGHVCVELR-UHFFFAOYSA-N 0 3 314.429 2.063 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000294444424 526741105 /nfs/dbraw/zinc/74/11/05/526741105.db2.gz MXOXZXWOZYJVBZ-UHFFFAOYSA-N 0 3 312.413 2.445 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000292927239 526770256 /nfs/dbraw/zinc/77/02/56/526770256.db2.gz YQWLCVOMCXQEMF-UHFFFAOYSA-N 0 3 302.418 2.392 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000294703800 526855890 /nfs/dbraw/zinc/85/58/90/526855890.db2.gz VKQYTVPJZVUPLQ-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000294953980 526944720 /nfs/dbraw/zinc/94/47/20/526944720.db2.gz OIVYHNLKHONUIJ-UHFFFAOYSA-N 0 3 316.445 2.472 20 30 DEEDHN CC(C)(CCC#N)CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263506991 526997773 /nfs/dbraw/zinc/99/77/73/526997773.db2.gz MHNRYIQFBDBRAO-UHFFFAOYSA-N 0 3 307.438 2.234 20 30 DEEDHN CC(C)(CCC#N)CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263506991 526997778 /nfs/dbraw/zinc/99/77/78/526997778.db2.gz MHNRYIQFBDBRAO-UHFFFAOYSA-N 0 3 307.438 2.234 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000295636159 527074150 /nfs/dbraw/zinc/07/41/50/527074150.db2.gz QEXZEBRQCDNTND-BBRMVZONSA-N 0 3 320.458 2.166 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000296618347 527106098 /nfs/dbraw/zinc/10/60/98/527106098.db2.gz WQZVSRCHJJBERB-IRXDYDNUSA-N 0 3 321.442 2.144 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340263001 527120820 /nfs/dbraw/zinc/12/08/20/527120820.db2.gz ZXBDEUYTKYQZTJ-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000341869568 527190672 /nfs/dbraw/zinc/19/06/72/527190672.db2.gz AYDWFVHSTNANDY-NEPJUHHUSA-N 0 3 315.410 2.064 20 30 DEEDHN C=CCc1cc(CNC(=O)C2(N)CCCC2)cc(OC)c1OC ZINC000262536887 527238187 /nfs/dbraw/zinc/23/81/87/527238187.db2.gz QBNABPKPVLCEDE-UHFFFAOYSA-N 0 3 318.417 2.320 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](N)CCC)cc(OC)c1OC ZINC000236878424 527240853 /nfs/dbraw/zinc/24/08/53/527240853.db2.gz IJVHEXPKSIZYSU-AWEZNQCLSA-N 0 3 306.406 2.176 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](N)[C@@H](C)CC)cc(OC)c1OC ZINC000237079117 527241626 /nfs/dbraw/zinc/24/16/26/527241626.db2.gz WQIAYXSKYONACZ-BLLLJJGKSA-N 0 3 320.433 2.422 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000377551398 527434589 /nfs/dbraw/zinc/43/45/89/527434589.db2.gz XHQZVGWMXWOFKL-OALUTQOASA-N 0 3 309.413 2.490 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000341022395 527495296 /nfs/dbraw/zinc/49/52/96/527495296.db2.gz VTJUWYRGYOZNOL-RBUKOAKNSA-N 0 3 318.461 2.285 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1coc(CN)c1)C(C)C ZINC000188082809 527649800 /nfs/dbraw/zinc/64/98/00/527649800.db2.gz LMSIJBFZTWDVFZ-MRXNPFEDSA-N 0 3 305.422 2.167 20 30 DEEDHN CCOc1ccc(N(CCC#N)C(=O)/C=C/CN(C)C)cc1 ZINC000265709181 528479675 /nfs/dbraw/zinc/47/96/75/528479675.db2.gz ULAFLFBRHJTYQC-FNORWQNLSA-N 0 3 301.390 2.450 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC000246344754 528617830 /nfs/dbraw/zinc/61/78/30/528617830.db2.gz INWOQGJFHWKSII-YJBOKZPZSA-N 0 3 313.445 2.484 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337408901 528697369 /nfs/dbraw/zinc/69/73/69/528697369.db2.gz MUBHDROTFPYGOH-FRRDWIJNSA-N 0 3 317.380 2.135 20 30 DEEDHN CO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000458201173 536795170 /nfs/dbraw/zinc/79/51/70/536795170.db2.gz UBFLDECREFYNHG-GVDBMIGSSA-N 0 3 323.396 2.314 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C(C)C ZINC001378961978 1152507912 /nfs/dbraw/zinc/50/79/12/1152507912.db2.gz PIBVCDPPOKQUCA-ZFWWWQNUSA-N 0 3 302.846 2.020 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001369741320 1149129542 /nfs/dbraw/zinc/12/95/42/1149129542.db2.gz BVNYHWGLRWCOGS-HIFRSBDPSA-N 0 3 324.856 2.372 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001369746587 1149137150 /nfs/dbraw/zinc/13/71/50/1149137150.db2.gz JOIAZVDAZQBFEN-RISCZKNCSA-N 0 3 310.829 2.443 20 30 DEEDHN N#CC(C(=O)CCCC(=O)C1CC1)C(=O)NCc1ccccc1 ZINC000835061194 649873983 /nfs/dbraw/zinc/87/39/83/649873983.db2.gz JPACCRAAQXYERE-OAHLLOKOSA-N 0 3 312.369 2.161 20 30 DEEDHN Cc1cccc2c1O[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C2 ZINC000835071315 649875013 /nfs/dbraw/zinc/87/50/13/649875013.db2.gz OKHLPBKVXHDKFK-GJZGRUSLSA-N 0 3 312.369 2.066 20 30 DEEDHN CO[C@@H]1COCC[C@H]1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000835077099 649875874 /nfs/dbraw/zinc/87/58/74/649875874.db2.gz OKFWOCNHTYARCG-HWWQOWPSSA-N 0 3 314.341 2.446 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)CC2CC2)cc1C#N ZINC001379068517 1152556013 /nfs/dbraw/zinc/55/60/13/1152556013.db2.gz STRJKUOKIBGLQM-CYBMUJFWSA-N 0 3 315.417 2.303 20 30 DEEDHN C[C@@H](CCNC(=O)c1ccsn1)NCc1ccccc1C#N ZINC001368721985 1148615972 /nfs/dbraw/zinc/61/59/72/1148615972.db2.gz GAMJUBDIEDJJFL-LBPRGKRZSA-N 0 3 314.414 2.313 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccns2)C1 ZINC001327905882 1148674645 /nfs/dbraw/zinc/67/46/45/1148674645.db2.gz ROZYEWPQFFHOFC-HIFRSBDPSA-N 0 3 305.447 2.273 20 30 DEEDHN C=CCCC[NH+]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735413334 599267679 /nfs/dbraw/zinc/26/76/79/599267679.db2.gz RXIQIOMBHXNBQU-UHFFFAOYSA-N 0 3 316.384 2.094 20 30 DEEDHN C=CCCC[NH+]1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735413334 599267681 /nfs/dbraw/zinc/26/76/81/599267681.db2.gz RXIQIOMBHXNBQU-UHFFFAOYSA-N 0 3 316.384 2.094 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835340861 649908599 /nfs/dbraw/zinc/90/85/99/649908599.db2.gz OZXNTKKATQBCBA-HUUCEWRRSA-N 0 3 302.374 2.135 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000835341502 649908555 /nfs/dbraw/zinc/90/85/55/649908555.db2.gz VFPHKPQKZKTHSG-OCCSQVGLSA-N 0 3 324.327 2.105 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC001327981882 1148692064 /nfs/dbraw/zinc/69/20/64/1148692064.db2.gz ISXWTVYOHJMXQW-UHFFFAOYSA-N 0 3 320.462 2.058 20 30 DEEDHN C=C(C)CN1CCC([NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000819723060 606216356 /nfs/dbraw/zinc/21/63/56/606216356.db2.gz WKRYJXVMMBQEOV-UHFFFAOYSA-N 0 3 318.450 2.058 20 30 DEEDHN C=CC[N@@H+](CCC(C)(C)O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743319 606615743 /nfs/dbraw/zinc/61/57/43/606615743.db2.gz GTHMOCKPTMWMBQ-UHFFFAOYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=CC[N@H+](CCC(C)(C)O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743319 606615744 /nfs/dbraw/zinc/61/57/44/606615744.db2.gz GTHMOCKPTMWMBQ-UHFFFAOYSA-N 0 3 301.394 2.016 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1ccnn1CC ZINC001381473138 1153078875 /nfs/dbraw/zinc/07/88/75/1153078875.db2.gz SFEQFPWHTAVXGX-UHFFFAOYSA-N 0 3 312.845 2.343 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3cnccc3o2)C1 ZINC001023470662 625284861 /nfs/dbraw/zinc/28/48/61/625284861.db2.gz ZKGCLDFNTXVXDV-CQSZACIVSA-N 0 3 311.385 2.293 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cnnc(C)c1 ZINC001025228620 625288015 /nfs/dbraw/zinc/28/80/15/625288015.db2.gz ZJJUWSJNRYPCPS-SJORKVTESA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2nncc3ccccc32)C1 ZINC001023482145 625289863 /nfs/dbraw/zinc/28/98/63/625289863.db2.gz ZUEJSZNWLAFBCE-CQSZACIVSA-N 0 3 310.401 2.258 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2nc(C)n3ccccc23)C1 ZINC001023491680 625296439 /nfs/dbraw/zinc/29/64/39/625296439.db2.gz SCRHGEZNCLMVMV-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3cnco3)C2)cc1 ZINC001023517001 625306695 /nfs/dbraw/zinc/30/66/95/625306695.db2.gz ZOEKJJKAPGCNTC-INIZCTEOSA-N 0 3 324.384 2.188 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C3CC3)on2)C1 ZINC001023514523 625305823 /nfs/dbraw/zinc/30/58/23/625305823.db2.gz OHDZEYGHRWWDEB-CYBMUJFWSA-N 0 3 301.390 2.017 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3ccccc3nn2)C1 ZINC001023525403 625309843 /nfs/dbraw/zinc/30/98/43/625309843.db2.gz STRLVFWZQDZCQS-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c(C)n[nH]c1C ZINC001025276211 625321113 /nfs/dbraw/zinc/32/11/13/625321113.db2.gz HHWOIQHIWVDICL-HOTGVXAUSA-N 0 3 314.433 2.119 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(C(C)C)cn2)C[C@@H]1C ZINC000947567612 625321842 /nfs/dbraw/zinc/32/18/42/625321842.db2.gz FOECSSKEUCTFRR-LSDHHAIUSA-N 0 3 302.422 2.070 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H]2CCCN(C[C@H](F)CC)C2)c1 ZINC001023584003 625333072 /nfs/dbraw/zinc/33/30/72/625333072.db2.gz SURCPVJPLDTZCH-NVXWUHKLSA-N 0 3 317.408 2.253 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)CC(F)(F)F)C2)s1 ZINC001018594099 625341124 /nfs/dbraw/zinc/34/11/24/625341124.db2.gz YKHWIPXIUXULSQ-VIFPVBQESA-N 0 3 317.336 2.263 20 30 DEEDHN COc1cc([C@H](C)N[C@H](C)CCC#N)ccc1S(C)(=O)=O ZINC001363858801 1153674273 /nfs/dbraw/zinc/67/42/73/1153674273.db2.gz VMBCIGFPLDIDEG-NEPJUHHUSA-N 0 3 310.419 2.442 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001023626514 625361253 /nfs/dbraw/zinc/36/12/53/625361253.db2.gz AWPDFQSPZFRCEB-ZDUSSCGKSA-N 0 3 301.390 2.017 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001023687374 625388952 /nfs/dbraw/zinc/38/89/52/625388952.db2.gz KBMCBVIAVCLMHF-AWEZNQCLSA-N 0 3 303.406 2.011 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1 ZINC000972638161 625388047 /nfs/dbraw/zinc/38/80/47/625388047.db2.gz RLEDYVCUFHDJTG-AWEZNQCLSA-N 0 3 303.406 2.201 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001023692463 625390863 /nfs/dbraw/zinc/39/08/63/625390863.db2.gz AGSMVGGFCCFOLH-GOEBONIOSA-N 0 3 316.449 2.238 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C[C@H](F)CC)C2)cn1 ZINC001023711459 625394496 /nfs/dbraw/zinc/39/44/96/625394496.db2.gz ZTRYQPNLLLVZSQ-GOEBONIOSA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2csnc2C)C1 ZINC001025384608 625396167 /nfs/dbraw/zinc/39/61/67/625396167.db2.gz IFDOUOPKIGUXAG-JSGCOSHPSA-N 0 3 305.447 2.305 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC000972649981 625405831 /nfs/dbraw/zinc/40/58/31/625405831.db2.gz GWZMGXNSVRWLQZ-STQMWFEESA-N 0 3 303.406 2.132 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(F)cccc2OC)C1 ZINC001025419549 625419055 /nfs/dbraw/zinc/41/90/55/625419055.db2.gz MLVRILPDFNKAEP-KBPBESRZSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC000972664988 625419218 /nfs/dbraw/zinc/41/92/18/625419218.db2.gz KQIDAQKCAXUAKE-GFCCVEGCSA-N 0 3 313.323 2.433 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001023751466 625421641 /nfs/dbraw/zinc/42/16/41/625421641.db2.gz LVHULQPWLHHWRP-CYBMUJFWSA-N 0 3 307.825 2.236 20 30 DEEDHN CCC(=O)N1CCC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001023781840 625436375 /nfs/dbraw/zinc/43/63/75/625436375.db2.gz WQCHBJHTPNULPY-ZDUSSCGKSA-N 0 3 303.381 2.436 20 30 DEEDHN Cc1conc1C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972684088 625438492 /nfs/dbraw/zinc/43/84/92/625438492.db2.gz LPACSWKBSSOXBF-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc3cccnc32)C[C@H]1C ZINC000947594187 625439739 /nfs/dbraw/zinc/43/97/39/625439739.db2.gz UQGISYRPIIFATG-CRAIPNDOSA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001025448745 625445370 /nfs/dbraw/zinc/44/53/70/625445370.db2.gz ROMZJLGGAMWGHT-GOEBONIOSA-N 0 3 324.428 2.368 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nc(C)sc2C)C1 ZINC001025450860 625445636 /nfs/dbraw/zinc/44/56/36/625445636.db2.gz BRFKZPDVZGGMFP-RISCZKNCSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccnc2C2CC2)C1 ZINC001025469921 625464847 /nfs/dbraw/zinc/46/48/47/625464847.db2.gz RVUYBCOTDXQKSY-GOEBONIOSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(Cl)cn2C)C1 ZINC001025476737 625468333 /nfs/dbraw/zinc/46/83/33/625468333.db2.gz BXLJRRYMCHRNFZ-CHWSQXEVSA-N 0 3 307.825 2.142 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)noc2C2CC2)C1 ZINC001025485766 625477630 /nfs/dbraw/zinc/47/76/30/625477630.db2.gz PDXIPZIAGBFRGW-WFASDCNBSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3ccccc3nn2)C1 ZINC001025495439 625483364 /nfs/dbraw/zinc/48/33/64/625483364.db2.gz BCUGRTDBQQECNU-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(OC)cs2)C1 ZINC001025507083 625493200 /nfs/dbraw/zinc/49/32/00/625493200.db2.gz RSTUOPHLESLOSZ-STQMWFEESA-N 0 3 306.431 2.220 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(OC)cc2C)C1 ZINC001025517909 625497286 /nfs/dbraw/zinc/49/72/86/625497286.db2.gz BXRCEFSOHZFAGV-CVEARBPZSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ocnc2C2CC2)C1 ZINC001025527798 625504197 /nfs/dbraw/zinc/50/41/97/625504197.db2.gz MAZFHQHGNCYOCL-UKRRQHHQSA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@](C)(OC)c2ccccc2)C1 ZINC000972747071 625520851 /nfs/dbraw/zinc/52/08/51/625520851.db2.gz DNHNHBKBFHOGPB-AEFFLSMTSA-N 0 3 302.418 2.267 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000972753158 625527391 /nfs/dbraw/zinc/52/73/91/625527391.db2.gz QXYFJYJIVAJQHG-OAHLLOKOSA-N 0 3 312.373 2.069 20 30 DEEDHN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000893345413 625572596 /nfs/dbraw/zinc/57/25/96/625572596.db2.gz KSRSLSUDKPODOF-CZUORRHYSA-N 0 3 300.406 2.355 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1c(C)cc(=O)[nH]c1C ZINC000969151355 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001020620007 622967268 /nfs/dbraw/zinc/96/72/68/622967268.db2.gz DKAVLKCSDJOLDH-JOCQHMNTSA-N 0 3 306.793 2.224 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC000970012432 623052402 /nfs/dbraw/zinc/05/24/02/623052402.db2.gz MDWKZPUCEWKHFT-ZFWWWQNUSA-N 0 3 316.449 2.236 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(C(C)C)c2)C1 ZINC001025596164 625616488 /nfs/dbraw/zinc/61/64/88/625616488.db2.gz YIOVBDYAPUNWIO-HZPDHXFCSA-N 0 3 316.449 2.318 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CNCc2cnns2)C1 ZINC001024137987 625617736 /nfs/dbraw/zinc/61/77/36/625617736.db2.gz XAIKXEBXAPSRJW-XJKSGUPXSA-N 0 3 322.478 2.469 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@H]3CC34CC4)C2)cc1F ZINC000970089144 623106056 /nfs/dbraw/zinc/10/60/56/623106056.db2.gz SODCTFCFBNBAED-HUUCEWRRSA-N 0 3 313.376 2.188 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001020987346 623241842 /nfs/dbraw/zinc/24/18/42/623241842.db2.gz HQDDHAREHLEGRJ-JOCQHMNTSA-N 0 3 321.808 2.010 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC000970170466 623271003 /nfs/dbraw/zinc/27/10/03/623271003.db2.gz SIAFXGNQDORTOE-UGSOOPFHSA-N 0 3 314.404 2.315 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cn3ccccc3n2)C1 ZINC001025611747 625640781 /nfs/dbraw/zinc/64/07/81/625640781.db2.gz PBSHCDIOBZFLFI-HOTGVXAUSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3ncccc3c2)C1 ZINC000970369730 623423274 /nfs/dbraw/zinc/42/32/74/623423274.db2.gz VILNPJSNXKZOQF-CQSZACIVSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C(Br)CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000852013641 625652269 /nfs/dbraw/zinc/65/22/69/625652269.db2.gz GZTOPRPBSQOPST-SNVBAGLBSA-N 0 3 304.232 2.067 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2OC)C1 ZINC000970498563 623480498 /nfs/dbraw/zinc/48/04/98/623480498.db2.gz FBQZCFBLVZEEHV-LSDHHAIUSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H](C)C2CN(CC(=C)C)C2)cc1 ZINC000970538658 623527034 /nfs/dbraw/zinc/52/70/34/623527034.db2.gz SSISQGHKKLKDGF-HNNXBMFYSA-N 0 3 312.413 2.325 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000970592715 623564275 /nfs/dbraw/zinc/56/42/75/623564275.db2.gz DKALICHUTQKQSK-UONOGXRCSA-N 0 3 312.413 2.083 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cn(CCC)nc2C)C1 ZINC000970647220 623593207 /nfs/dbraw/zinc/59/32/07/623593207.db2.gz ZEFLBILJIGVGAA-ZDUSSCGKSA-N 0 3 304.438 2.228 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC000970773670 623672764 /nfs/dbraw/zinc/67/27/64/623672764.db2.gz IKZFNPCLNCWDBX-ZDUSSCGKSA-N 0 3 311.385 2.210 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC000970810706 623698313 /nfs/dbraw/zinc/69/83/13/623698313.db2.gz PCNYGMOUGRQOJG-CYBMUJFWSA-N 0 3 315.417 2.033 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3ncsc3c2)C1 ZINC000970837500 623735333 /nfs/dbraw/zinc/73/53/33/623735333.db2.gz FANAVODOPPWQQP-LBPRGKRZSA-N 0 3 313.426 2.370 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2oc(C)cc2C)C1 ZINC001021553824 623743807 /nfs/dbraw/zinc/74/38/07/623743807.db2.gz JRSWLMQKIGRFCX-JKSUJKDBSA-N 0 3 300.402 2.456 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cncc(C)c2)C1 ZINC001021554803 623745786 /nfs/dbraw/zinc/74/57/86/623745786.db2.gz LRMHFSZVDMARPY-WMZOPIPTSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn3ccc(C)cc23)C[C@H]1C ZINC000947410974 623749860 /nfs/dbraw/zinc/74/98/60/623749860.db2.gz BKIFUQKLSYVRCV-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC000970867213 623752450 /nfs/dbraw/zinc/75/24/50/623752450.db2.gz AGTMYVRPTIPPLK-GFCCVEGCSA-N 0 3 305.447 2.186 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3cnccc32)C1 ZINC000970882848 623759424 /nfs/dbraw/zinc/75/94/24/623759424.db2.gz IMOKTYBXZOXYQL-CQSZACIVSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC000970908868 623781491 /nfs/dbraw/zinc/78/14/91/623781491.db2.gz GWXVQELZEBSTFT-LRDDRELGSA-N 0 3 318.392 2.142 20 30 DEEDHN CN(C)c1ccc([C@@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1 ZINC000891249269 623793676 /nfs/dbraw/zinc/79/36/76/623793676.db2.gz PZLGQLQKBWHSLP-MRXNPFEDSA-N 0 3 314.433 2.165 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2nccs2)C1 ZINC001021700028 623981434 /nfs/dbraw/zinc/98/14/34/623981434.db2.gz MOLDJTQFHQWMAO-ZIAGYGMSSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(Cl)n2)C1 ZINC001021711400 623993817 /nfs/dbraw/zinc/99/38/17/623993817.db2.gz WEJXIKMHPQMZMB-WCQYABFASA-N 0 3 323.849 2.356 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(CC)on2)C1 ZINC001021720600 624004718 /nfs/dbraw/zinc/00/47/18/624004718.db2.gz YEXJQDCPCDGYMS-WMLDXEAASA-N 0 3 315.417 2.187 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971110581 624005228 /nfs/dbraw/zinc/00/52/28/624005228.db2.gz VTVQAJLNPLRYQE-CZUORRHYSA-N 0 3 317.458 2.342 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccccc2)C1 ZINC001021723259 624006165 /nfs/dbraw/zinc/00/61/65/624006165.db2.gz SRGRAMHQSLKKQE-WMZOPIPTSA-N 0 3 312.413 2.012 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cccc(F)c2)C1 ZINC001021727016 624008210 /nfs/dbraw/zinc/00/82/10/624008210.db2.gz IONJRIJGWBKEPC-WMZOPIPTSA-N 0 3 314.404 2.314 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccccc2F)C1 ZINC001021726496 624008779 /nfs/dbraw/zinc/00/87/79/624008779.db2.gz CTXLVOLQRIUIGE-WMZOPIPTSA-N 0 3 314.404 2.314 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ccc(C)o2)C1 ZINC001021738653 624022947 /nfs/dbraw/zinc/02/29/47/624022947.db2.gz CHMLDUFXGLOBOA-SJLPKXTDSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3cc[nH]c3c2)C[C@@H]1C ZINC000947442060 624089511 /nfs/dbraw/zinc/08/95/11/624089511.db2.gz OYUOWJQWZJDFCF-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN C[C@H](C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1)C1CC1 ZINC001021935912 624141433 /nfs/dbraw/zinc/14/14/33/624141433.db2.gz DVFXVBSTSOHXSC-KNXALSJPSA-N 0 3 315.392 2.480 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000971501491 624175849 /nfs/dbraw/zinc/17/58/49/624175849.db2.gz YXLJOTWKVXBNLM-CABCVRRESA-N 0 3 319.355 2.246 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cn3cc(C)nc3s2)C1 ZINC000971678510 624501609 /nfs/dbraw/zinc/50/16/09/624501609.db2.gz NFCGMQCJESUHIW-LBPRGKRZSA-N 0 3 304.419 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001022267928 624540033 /nfs/dbraw/zinc/54/00/33/624540033.db2.gz AEALQVIWIHMNMJ-BETUJISGSA-N 0 3 322.840 2.212 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000998745914 634393253 /nfs/dbraw/zinc/39/32/53/634393253.db2.gz KRTXJSKROGBPPZ-FZMZJTMJSA-N 0 3 307.344 2.205 20 30 DEEDHN N#Cc1ccccc1N1CCCN(c2ccncc2CO)CC1 ZINC000891838252 624622476 /nfs/dbraw/zinc/62/24/76/624622476.db2.gz ZHWGGIMBOWQHHY-UHFFFAOYSA-N 0 3 308.385 2.162 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2CCOC2)c1 ZINC000176090609 624623508 /nfs/dbraw/zinc/62/35/08/624623508.db2.gz AVEVZYRCRPOWRF-SWLSCSKDSA-N 0 3 316.357 2.159 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000971882817 624684691 /nfs/dbraw/zinc/68/46/91/624684691.db2.gz XHKDERDDGCPHQB-MRXNPFEDSA-N 0 3 314.433 2.014 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)c2cccnc2)C[C@@H]1C ZINC000947480167 624694342 /nfs/dbraw/zinc/69/43/42/624694342.db2.gz UPWITSWEDCLUFC-DOTOQJQBSA-N 0 3 313.445 2.352 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2nc3cnccc3s2)C1 ZINC000971907765 624700946 /nfs/dbraw/zinc/70/09/46/624700946.db2.gz MMYBLRYGFKFQDB-LLVKDONJSA-N 0 3 302.403 2.024 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2occ3c2CCCC3)C1 ZINC001027661315 634402659 /nfs/dbraw/zinc/40/26/59/634402659.db2.gz HXNZMYNXDRIECD-OAHLLOKOSA-N 0 3 300.402 2.328 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2cccc(OC)c2)C1 ZINC000971927466 624720396 /nfs/dbraw/zinc/72/03/96/624720396.db2.gz GBNSHSBLQBLUQI-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC000971938710 624723595 /nfs/dbraw/zinc/72/35/95/624723595.db2.gz WQXLPOCATCTPRT-WMZOPIPTSA-N 0 3 314.429 2.407 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ocnc2C(F)(F)F)C1 ZINC000972010349 624770001 /nfs/dbraw/zinc/77/00/01/624770001.db2.gz AREWYNJUGJXDIT-SECBINFHSA-N 0 3 303.284 2.026 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2sc(C)cc2C)C1 ZINC001027665091 634408176 /nfs/dbraw/zinc/40/81/76/634408176.db2.gz LWCCFKVEIGTEMF-OAHLLOKOSA-N 0 3 304.459 2.463 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC000972071776 624818736 /nfs/dbraw/zinc/81/87/36/624818736.db2.gz BBDPHFTZRWYIBS-INIZCTEOSA-N 0 3 318.465 2.098 20 30 DEEDHN COc1ccccc1CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000051651283 624879269 /nfs/dbraw/zinc/87/92/69/624879269.db2.gz AQEGLKMFTXBZCS-OAHLLOKOSA-N 0 3 314.385 2.395 20 30 DEEDHN COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)cc1F ZINC000051651793 624879348 /nfs/dbraw/zinc/87/93/48/624879348.db2.gz WGRCCLONJAJHSP-ZDUSSCGKSA-N 0 3 318.348 2.144 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccn(C(F)F)n2)C1 ZINC000998829283 634412951 /nfs/dbraw/zinc/41/29/51/634412951.db2.gz UNBFVQGTRDZPIM-UHFFFAOYSA-N 0 3 318.755 2.223 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001027671433 634418995 /nfs/dbraw/zinc/41/89/95/634418995.db2.gz GWUITWLMEBURGA-IRXDYDNUSA-N 0 3 314.429 2.318 20 30 DEEDHN CC(C)(C)CCN1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972381065 624945237 /nfs/dbraw/zinc/94/52/37/624945237.db2.gz LXEQXQUOQCREGP-LJQANCHMSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001027671116 634423690 /nfs/dbraw/zinc/42/36/90/634423690.db2.gz DPKXADXSCWHSMX-SJORKVTESA-N 0 3 314.429 2.318 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001024756908 625038418 /nfs/dbraw/zinc/03/84/18/625038418.db2.gz XFKZXJVKLVWAHL-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000972420947 625067369 /nfs/dbraw/zinc/06/73/69/625067369.db2.gz HRLJWHSLCMQTNL-NSHDSACASA-N 0 3 313.323 2.433 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000972424215 625071083 /nfs/dbraw/zinc/07/10/83/625071083.db2.gz LIDCAWFBYLBEPB-SJORKVTESA-N 0 3 309.413 2.391 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001022909753 625090406 /nfs/dbraw/zinc/09/04/06/625090406.db2.gz WYEWJKAMRICAME-QNWHQSFQSA-N 0 3 315.255 2.424 20 30 DEEDHN Cc1cccnc1CNC[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001024959580 625119541 /nfs/dbraw/zinc/11/95/41/625119541.db2.gz DNLKTJKXKSRMPH-QGZVFWFLSA-N 0 3 311.429 2.274 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)nc2C)C[C@@H]1C ZINC000947529852 625120602 /nfs/dbraw/zinc/12/06/02/625120602.db2.gz WGQAXHWVPDSMRD-BLLLJJGKSA-N 0 3 314.433 2.008 20 30 DEEDHN CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026127531 625144743 /nfs/dbraw/zinc/14/47/43/625144743.db2.gz CWJZAMDLEAUNQT-QQXKLLMISA-N 0 3 323.440 2.397 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC000972529944 625190427 /nfs/dbraw/zinc/19/04/27/625190427.db2.gz SUCCFOSPTJCTQK-VIFPVBQESA-N 0 3 317.220 2.059 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3cocn3)C2)cc1 ZINC001023276060 625207018 /nfs/dbraw/zinc/20/70/18/625207018.db2.gz ZSBSJTSPHHBKJS-INIZCTEOSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001027685500 634441952 /nfs/dbraw/zinc/44/19/52/634441952.db2.gz NJYIDXGCAPPKGV-OAHLLOKOSA-N 0 3 316.449 2.116 20 30 DEEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893195013 625219374 /nfs/dbraw/zinc/21/93/74/625219374.db2.gz PXHJQJZEQUVXGQ-IMJJTQAJSA-N 0 3 306.431 2.444 20 30 DEEDHN CCC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccn1 ZINC000180871973 625231864 /nfs/dbraw/zinc/23/18/64/625231864.db2.gz JIHPTCVLDBKAIS-VLUKHXRESA-N 0 3 314.389 2.039 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(C)noc2CCC)C1 ZINC001023365250 625239985 /nfs/dbraw/zinc/23/99/85/625239985.db2.gz AQFVVTDZHFXKBX-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnc3cc(C)ccn23)C1 ZINC001023389461 625247973 /nfs/dbraw/zinc/24/79/73/625247973.db2.gz VZVTYYRQGLNILT-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccoc2C(F)(F)F)C1 ZINC001023393652 625250925 /nfs/dbraw/zinc/25/09/25/625250925.db2.gz GXWAWRSKKSEKHV-NSHDSACASA-N 0 3 314.307 2.373 20 30 DEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)cnn1C(C)C ZINC000181259021 625255933 /nfs/dbraw/zinc/25/59/33/625255933.db2.gz RDOIAYPCXKHREI-GFCCVEGCSA-N 0 3 311.345 2.129 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2nc3cccnc3s2)C1 ZINC001023416506 625260400 /nfs/dbraw/zinc/26/04/00/625260400.db2.gz BFKAATQOMOJQSD-GFCCVEGCSA-N 0 3 316.430 2.319 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)COC1CCCC1 ZINC001025205693 625262261 /nfs/dbraw/zinc/26/22/61/625262261.db2.gz WKUZGHQQBHYMRE-MSOLQXFVSA-N 0 3 318.461 2.424 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001023438519 625268301 /nfs/dbraw/zinc/26/83/01/625268301.db2.gz YQOMXHQOKHJHIV-HNNXBMFYSA-N 0 3 323.396 2.417 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCOCC1 ZINC001025213702 625271158 /nfs/dbraw/zinc/27/11/58/625271158.db2.gz NWEQGHGVQKHEKN-MSOLQXFVSA-N 0 3 318.461 2.282 20 30 DEEDHN Cc1ncoc1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026756814 625732956 /nfs/dbraw/zinc/73/29/56/625732956.db2.gz PYCBZWNJSGXJBH-AWEZNQCLSA-N 0 3 324.384 2.107 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892464511 625745438 /nfs/dbraw/zinc/74/54/38/625745438.db2.gz FDGLLIKADMXMNY-KBPBESRZSA-N 0 3 306.406 2.351 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001024458071 625786656 /nfs/dbraw/zinc/78/66/56/625786656.db2.gz YWCMLRRGZYILQM-LBPRGKRZSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001024475559 625805818 /nfs/dbraw/zinc/80/58/18/625805818.db2.gz RMRCJUGYLKJUJK-OAHLLOKOSA-N 0 3 317.433 2.248 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cncc(COC)c1 ZINC001024485902 625811191 /nfs/dbraw/zinc/81/11/91/625811191.db2.gz WPMGYNBGLKNILU-QGZVFWFLSA-N 0 3 317.433 2.388 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001024531827 625848753 /nfs/dbraw/zinc/84/87/53/625848753.db2.gz XBFOFLXHJWXZBU-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001024550114 625869570 /nfs/dbraw/zinc/86/95/70/625869570.db2.gz CFAHGRDUNYPBMR-JZXOWHBKSA-N 0 3 306.450 2.492 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccoc3CCC)[C@@H]2C1 ZINC000978960738 634465349 /nfs/dbraw/zinc/46/53/49/634465349.db2.gz HSICQZDPSKBVEJ-PHZGNYQRSA-N 0 3 300.402 2.163 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024647145 625949266 /nfs/dbraw/zinc/94/92/66/625949266.db2.gz JQMJFYLZHOVQTB-GJZGRUSLSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000978982523 634470696 /nfs/dbraw/zinc/47/06/96/634470696.db2.gz CMICOJXPUSZREV-JEFCFZOGSA-N 0 3 312.457 2.130 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999251246 634536245 /nfs/dbraw/zinc/53/62/45/634536245.db2.gz PLSNRJVBYJDDDU-ZDUSSCGKSA-N 0 3 324.856 2.279 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]2C1 ZINC000979480866 634654208 /nfs/dbraw/zinc/65/42/08/634654208.db2.gz JBLGFZJNVZDZCZ-BHYGNILZSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC000999671120 634654924 /nfs/dbraw/zinc/65/49/24/634654924.db2.gz GIAOILNHCNYTEU-UHFFFAOYSA-N 0 3 307.825 2.449 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ncc3n2CCCC3)C1 ZINC000999859513 634688142 /nfs/dbraw/zinc/68/81/42/634688142.db2.gz ZXFFAMBATUWVOV-UHFFFAOYSA-N 0 3 322.840 2.165 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H](NCc3cccnc3)C2)cc1 ZINC000999874100 634698017 /nfs/dbraw/zinc/69/80/17/634698017.db2.gz XKIVORMIUZUYHG-LJQANCHMSA-N 0 3 319.408 2.457 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@H](NCc3cnc(C)nc3)C2)C1 ZINC001000127440 634758174 /nfs/dbraw/zinc/75/81/74/634758174.db2.gz GTPRRGRKSQCEPN-INIZCTEOSA-N 0 3 314.433 2.222 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(CC)ccn3)CC2)CC1 ZINC001000164729 634774024 /nfs/dbraw/zinc/77/40/24/634774024.db2.gz GEGBEGVNVOGJOW-UHFFFAOYSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC001000188424 634783720 /nfs/dbraw/zinc/78/37/20/634783720.db2.gz BLWAJZVKPDSCBH-XHSDSOJGSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000836207511 650064344 /nfs/dbraw/zinc/06/43/44/650064344.db2.gz SNHBFIJDYDHHIU-KRWDZBQOSA-N 0 3 313.445 2.361 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(C)cc1C ZINC000836256076 650072165 /nfs/dbraw/zinc/07/21/65/650072165.db2.gz MYHHPVCHRXQPNL-UHFFFAOYSA-N 0 3 301.434 2.100 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)c1ccccc1F ZINC000836268589 650073091 /nfs/dbraw/zinc/07/30/91/650073091.db2.gz RCXPDHPIFGBOBI-UHFFFAOYSA-N 0 3 319.424 2.358 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000836288095 650075644 /nfs/dbraw/zinc/07/56/44/650075644.db2.gz SZWVMJUEWLNFGX-UHFFFAOYSA-N 0 3 313.445 2.361 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1oc2ccccc2c1C ZINC000836306823 650077704 /nfs/dbraw/zinc/07/77/04/650077704.db2.gz MFFHZJHWISTCPX-UHFFFAOYSA-N 0 3 313.401 2.496 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1c(C)cccc1C ZINC000836366651 650083927 /nfs/dbraw/zinc/08/39/27/650083927.db2.gz MUTXTNMKPWKUBC-UHFFFAOYSA-N 0 3 301.434 2.100 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1(c2ccccc2)CCC1 ZINC000836487016 650097063 /nfs/dbraw/zinc/09/70/63/650097063.db2.gz LUDZPZBPPDMKPV-UHFFFAOYSA-N 0 3 313.445 2.363 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001024692589 632923497 /nfs/dbraw/zinc/92/34/97/632923497.db2.gz PFHJKQCXWALQAO-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1csc2cncn21 ZINC001024691714 632927756 /nfs/dbraw/zinc/92/77/56/632927756.db2.gz ZZHZSAXQYRCHCZ-CYBMUJFWSA-N 0 3 316.430 2.003 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(OCC#C)cc1 ZINC001024695767 632929057 /nfs/dbraw/zinc/92/90/57/632929057.db2.gz WCKMMDHTCXFAPZ-GOSISDBHSA-N 0 3 324.424 2.306 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000177564199 632937814 /nfs/dbraw/zinc/93/78/14/632937814.db2.gz QZBPZKNOKIIJCZ-DZGCQCFKSA-N 0 3 315.417 2.466 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2csc(C3CC3)n2)[C@@H](C)C1 ZINC000945639032 632967459 /nfs/dbraw/zinc/96/74/59/632967459.db2.gz BJYAWZQWGFTLJD-GXTWGEPZSA-N 0 3 317.458 2.484 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC000996139982 633195064 /nfs/dbraw/zinc/19/50/64/633195064.db2.gz RUZNBGDUCUZHBW-YPMHNXCESA-N 0 3 319.453 2.213 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3ncn(C)c32)C(C)(C)C1 ZINC000974749058 633279703 /nfs/dbraw/zinc/27/97/03/633279703.db2.gz GGIZMDKVKWZMRS-MRXNPFEDSA-N 0 3 324.428 2.037 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000124206218 633293776 /nfs/dbraw/zinc/29/37/76/633293776.db2.gz KQEISPUKOOFMEX-ZBFHGGJFSA-N 0 3 316.401 2.432 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn3cncc3c2)C(C)(C)C1 ZINC000974771357 633294608 /nfs/dbraw/zinc/29/46/08/633294608.db2.gz CSVABPPLSNJDAT-MRXNPFEDSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C(C)(C)C1 ZINC000974784166 633299871 /nfs/dbraw/zinc/29/98/71/633299871.db2.gz LOJBBUAMUBZMQY-HNNXBMFYSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001026992575 633338750 /nfs/dbraw/zinc/33/87/50/633338750.db2.gz PILBZJAQJIUDOD-QWHCGFSZSA-N 0 3 319.453 2.078 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](CNCc3ccn(C)n3)C2)CC1 ZINC001027041177 633367765 /nfs/dbraw/zinc/36/77/65/633367765.db2.gz QPCNZQHDCGDNHF-HNNXBMFYSA-N 0 3 316.449 2.105 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ncccc2OC)C(C)(C)C1 ZINC000974964328 633383381 /nfs/dbraw/zinc/38/33/81/633383381.db2.gz LGTRTLSDFBAYRT-INIZCTEOSA-N 0 3 317.433 2.035 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCCC2)c(C)c1 ZINC000124517425 633389277 /nfs/dbraw/zinc/38/92/77/633389277.db2.gz JBRGEGUMEQPOIZ-CQSZACIVSA-N 0 3 300.358 2.014 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000975104076 633420634 /nfs/dbraw/zinc/42/06/34/633420634.db2.gz RUIJLWDOYATFDI-CQSZACIVSA-N 0 3 304.438 2.019 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000975097294 633425146 /nfs/dbraw/zinc/42/51/46/633425146.db2.gz ADMVLZDWZWKOKN-HNNXBMFYSA-N 0 3 318.465 2.409 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000996957621 633539485 /nfs/dbraw/zinc/53/94/85/633539485.db2.gz SBMKCVKARYIJLK-GOSISDBHSA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cncc(F)c2)CC1 ZINC000996999159 633557410 /nfs/dbraw/zinc/55/74/10/633557410.db2.gz IVGJCPSSYJNYTD-CYBMUJFWSA-N 0 3 303.381 2.074 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)Cc2ccco2)CC1 ZINC000997117954 633600307 /nfs/dbraw/zinc/60/03/07/633600307.db2.gz VYOOHYOKAXFYLD-UHFFFAOYSA-N 0 3 323.396 2.475 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000997136388 633619999 /nfs/dbraw/zinc/61/99/99/633619999.db2.gz FIZQFUAFOMDZQJ-GFCCVEGCSA-N 0 3 306.356 2.428 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001027327314 633656311 /nfs/dbraw/zinc/65/63/11/633656311.db2.gz MTSUSIKFKHRJBP-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000997159221 633657732 /nfs/dbraw/zinc/65/77/32/633657732.db2.gz YGZWNDMVBIDABQ-CQSZACIVSA-N 0 3 324.428 2.368 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ncc3ccccn32)CC1 ZINC000997219104 633678902 /nfs/dbraw/zinc/67/89/02/633678902.db2.gz JVGCBZAMPOFUJT-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)cc(C)nc2C)CC1 ZINC000997239163 633686569 /nfs/dbraw/zinc/68/65/69/633686569.db2.gz RLSZMZBCAHANDH-OAHLLOKOSA-N 0 3 313.445 2.470 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000997299761 633700224 /nfs/dbraw/zinc/70/02/24/633700224.db2.gz CZOLXLCGBBIDSH-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ocnc2C(F)F)CC1 ZINC000997304298 633703831 /nfs/dbraw/zinc/70/38/31/633703831.db2.gz STLNJFOCIJPCSZ-SNVBAGLBSA-N 0 3 311.332 2.076 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000997312541 633704436 /nfs/dbraw/zinc/70/44/36/633704436.db2.gz APNAREHISCVLGT-FVQBIDKESA-N 0 3 300.402 2.233 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001009607722 633742461 /nfs/dbraw/zinc/74/24/61/633742461.db2.gz CSDZYFJMLWEJRD-INIZCTEOSA-N 0 3 307.397 2.452 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccn2CC)CC1 ZINC000997426993 633761824 /nfs/dbraw/zinc/76/18/24/633761824.db2.gz LVMHESBYRSOCTL-OAHLLOKOSA-N 0 3 301.434 2.362 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001027430620 633773605 /nfs/dbraw/zinc/77/36/05/633773605.db2.gz UWQVGEOWKOFSJS-GJZGRUSLSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(C(F)(F)F)CCC2)C1 ZINC001027466192 633835420 /nfs/dbraw/zinc/83/54/20/633835420.db2.gz KADBHDXABRQHRE-GFCCVEGCSA-N 0 3 302.340 2.275 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccnc2C2CC2)CC1 ZINC000997659533 633914687 /nfs/dbraw/zinc/91/46/87/633914687.db2.gz JWDYFWGKLAZMLW-AWEZNQCLSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cncc(Cl)c2)C(C)(C)C1 ZINC000977321605 633927382 /nfs/dbraw/zinc/92/73/82/633927382.db2.gz RKHMGYQZDUHQAB-CQSZACIVSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccn(C)c2CC)CC1 ZINC000997748221 633961644 /nfs/dbraw/zinc/96/16/44/633961644.db2.gz HQGQSMBIXAAHHU-AWEZNQCLSA-N 0 3 301.434 2.051 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc3cccnc32)C1 ZINC001027514431 633962290 /nfs/dbraw/zinc/96/22/90/633962290.db2.gz JFAWGUJGRKFTLF-SFHVURJKSA-N 0 3 321.424 2.333 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000997768155 633969241 /nfs/dbraw/zinc/96/92/41/633969241.db2.gz ROBIOIJBTDWZMZ-AWEZNQCLSA-N 0 3 316.449 2.387 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnnc3ccccc32)CC1 ZINC000997781263 633972561 /nfs/dbraw/zinc/97/25/61/633972561.db2.gz XBPGRUGUDJYYFP-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000997786291 633974499 /nfs/dbraw/zinc/97/44/99/633974499.db2.gz CLILUIMPBFCOKB-SZMVWBNQSA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C(C)(C)C1 ZINC000977451319 633991844 /nfs/dbraw/zinc/99/18/44/633991844.db2.gz QJNHLUIHUNJYDE-CQSZACIVSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(Cl)cn2)CC1 ZINC000997840287 634006640 /nfs/dbraw/zinc/00/66/40/634006640.db2.gz CLLVWEGKKQYHIA-LBPRGKRZSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000997845570 634008305 /nfs/dbraw/zinc/00/83/05/634008305.db2.gz FQGVZBQMCGAYEW-HNNXBMFYSA-N 0 3 313.445 2.216 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2csc(C)n2)C(C)(C)C1 ZINC000977571293 634042089 /nfs/dbraw/zinc/04/20/89/634042089.db2.gz BWKOFZAEWPQRJP-CQSZACIVSA-N 0 3 307.463 2.397 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cncc3sccc32)C1 ZINC001027542636 634063865 /nfs/dbraw/zinc/06/38/65/634063865.db2.gz OHGKVANDNJLCAN-ZDUSSCGKSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cncc(F)c2)CC1 ZINC000997960965 634079785 /nfs/dbraw/zinc/07/97/85/634079785.db2.gz NSXZISRBFMWZGN-MRXNPFEDSA-N 0 3 303.381 2.171 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccncc2F)CC1 ZINC000997966231 634081029 /nfs/dbraw/zinc/08/10/29/634081029.db2.gz TYDDNMFUUCISQT-CQSZACIVSA-N 0 3 303.381 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000997963284 634081253 /nfs/dbraw/zinc/08/12/53/634081253.db2.gz ZEUFMUDQFVSVGJ-MRXNPFEDSA-N 0 3 312.417 2.226 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cn(C(C)C)cn2)CC1 ZINC000998075180 634133268 /nfs/dbraw/zinc/13/32/68/634133268.db2.gz KOWSQWJSNDPWBU-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cncc(C#C)c2)CC1 ZINC000998116404 634146316 /nfs/dbraw/zinc/14/63/16/634146316.db2.gz NGUKSMIDTJPTEK-GOSISDBHSA-N 0 3 309.413 2.013 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000998123240 634147070 /nfs/dbraw/zinc/14/70/70/634147070.db2.gz AHGMTFIZOUHKQS-OAHLLOKOSA-N 0 3 314.433 2.237 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ncccc2OC)CC1 ZINC000998183625 634162362 /nfs/dbraw/zinc/16/23/62/634162362.db2.gz XCOWWBUSKGFZQU-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC23CCOCC3)CC1 ZINC000998202842 634167297 /nfs/dbraw/zinc/16/72/97/634167297.db2.gz IZNALZAENWHNBQ-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ncoc2C)CC[C@@H]1C(F)(F)F ZINC000998239367 634182495 /nfs/dbraw/zinc/18/24/95/634182495.db2.gz BMLGGSDCJIVCGN-WDEREUQCSA-N 0 3 317.311 2.152 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC000978128561 634223011 /nfs/dbraw/zinc/22/30/11/634223011.db2.gz IVJZGOQOCXSQEF-LUKYLMHMSA-N 0 3 300.446 2.274 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC000978128568 634223464 /nfs/dbraw/zinc/22/34/64/634223464.db2.gz IVJZGOQOCXSQEF-VQHPVUNQSA-N 0 3 300.446 2.274 20 30 DEEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1[C@H]2CN(CC#CC)C[C@H]21 ZINC000978398412 634301239 /nfs/dbraw/zinc/30/12/39/634301239.db2.gz YRYBVTRUSAHGKK-NNZMDNLPSA-N 0 3 324.424 2.182 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4cc(C)ccc4[nH]3)[C@@H]2C1 ZINC000978572881 634363442 /nfs/dbraw/zinc/36/34/42/634363442.db2.gz MLJQIWHGDPRYKP-PHZGNYQRSA-N 0 3 307.397 2.017 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001027638526 634365864 /nfs/dbraw/zinc/36/58/64/634365864.db2.gz VNVXZHLBHVTLMT-HZPDHXFCSA-N 0 3 324.428 2.153 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001027876694 634846892 /nfs/dbraw/zinc/84/68/92/634846892.db2.gz SSLAOOBSXACSJZ-OAHLLOKOSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027878834 634848861 /nfs/dbraw/zinc/84/88/61/634848861.db2.gz IYAJUQKGNDAKCX-CABCVRRESA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001027921134 634967827 /nfs/dbraw/zinc/96/78/27/634967827.db2.gz OQCCUXDHSSYMJE-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccc(C)c(C)c2)C1 ZINC000980381539 634977836 /nfs/dbraw/zinc/97/78/36/634977836.db2.gz FKTBPHJSXSAKGP-MRXNPFEDSA-N 0 3 302.418 2.401 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001027939102 635020208 /nfs/dbraw/zinc/02/02/08/635020208.db2.gz HGUBDCKMWOIUHQ-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCCN1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)no1 ZINC001027948406 635041917 /nfs/dbraw/zinc/04/19/17/635041917.db2.gz CFCOCXJDCHNSRH-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN Cc1cnc(CNC[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)s1 ZINC000980573690 635048261 /nfs/dbraw/zinc/04/82/61/635048261.db2.gz CSABJGBZGQVHKK-WFASDCNBSA-N 0 3 317.458 2.192 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccnn1-c1ccccc1 ZINC001027976156 635142661 /nfs/dbraw/zinc/14/26/61/635142661.db2.gz VZUPBFIQDKHJMZ-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(CC)ncnc2CC)C[C@H]1C ZINC000947726188 635291330 /nfs/dbraw/zinc/29/13/30/635291330.db2.gz KDHNLUXJDQIWLP-KGLIPLIRSA-N 0 3 316.449 2.370 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nc3cnccc3s2)CC1 ZINC001000935742 635357981 /nfs/dbraw/zinc/35/79/81/635357981.db2.gz NMDYQYTVJIUQOG-UHFFFAOYSA-N 0 3 314.414 2.239 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001028046667 635364010 /nfs/dbraw/zinc/36/40/10/635364010.db2.gz IQZPWCICNALYLT-CQSZACIVSA-N 0 3 314.389 2.060 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001028051031 635374701 /nfs/dbraw/zinc/37/47/01/635374701.db2.gz FOPVACCJIYREKO-KRWDZBQOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC001028051894 635376730 /nfs/dbraw/zinc/37/67/30/635376730.db2.gz VMDWWHMZRXWCTF-AWEZNQCLSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC001001039256 635394076 /nfs/dbraw/zinc/39/40/76/635394076.db2.gz JRTPZSNCCRZJAG-AWEZNQCLSA-N 0 3 317.389 2.074 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@@H](NC(=O)c2cnco2)C1 ZINC000981255620 635407945 /nfs/dbraw/zinc/40/79/45/635407945.db2.gz YUNWCVGZXBSXKO-HZPDHXFCSA-N 0 3 324.384 2.377 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]nc2-c2cccnc2)CC1 ZINC001001270132 635445536 /nfs/dbraw/zinc/44/55/36/635445536.db2.gz RQIAJUVCWGQMNG-UHFFFAOYSA-N 0 3 323.400 2.020 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cc(C(F)F)ncn2)CC1 ZINC000981447017 635486521 /nfs/dbraw/zinc/48/65/21/635486521.db2.gz OAFFKPULGNOJPK-UHFFFAOYSA-N 0 3 310.348 2.138 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC001001617962 635532792 /nfs/dbraw/zinc/53/27/92/635532792.db2.gz TUEMEPAUEHNPIF-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnc3cnccc3c2)CC1 ZINC001001636954 635536531 /nfs/dbraw/zinc/53/65/31/635536531.db2.gz XYCALMFZTVWRCI-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3ccsc3[nH]2)CC1 ZINC001001695495 635542865 /nfs/dbraw/zinc/54/28/65/635542865.db2.gz DRJNLVARMIWZRH-UHFFFAOYSA-N 0 3 301.415 2.304 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001016273033 635551689 /nfs/dbraw/zinc/55/16/89/635551689.db2.gz RMPWIAWSANHFTB-CQSZACIVSA-N 0 3 316.449 2.028 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001001786575 635552923 /nfs/dbraw/zinc/55/29/23/635552923.db2.gz SAONDXGLDVITFP-IAGOWNOFSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000981669343 635584951 /nfs/dbraw/zinc/58/49/51/635584951.db2.gz MLMFGDMWRPQSMB-ZDUSSCGKSA-N 0 3 303.431 2.332 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnc(CC)s2)CC1 ZINC001002169091 635632721 /nfs/dbraw/zinc/63/27/21/635632721.db2.gz RPGGYWXPIGGHIM-UHFFFAOYSA-N 0 3 305.447 2.171 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccnn3CCC)C2)C1 ZINC000981793954 635653429 /nfs/dbraw/zinc/65/34/29/635653429.db2.gz IRMRMETYCGPYCW-UHFFFAOYSA-N 0 3 302.422 2.017 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc4ccccn34)C2)C1 ZINC000981861456 635697132 /nfs/dbraw/zinc/69/71/32/635697132.db2.gz SDQYCARKXHHPBM-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cnoc3CC)C2)C1 ZINC000982044498 635843143 /nfs/dbraw/zinc/84/31/43/635843143.db2.gz QCHVTGLSSHMLAF-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)Cc2cccs2)CC1 ZINC000982056402 635848367 /nfs/dbraw/zinc/84/83/67/635848367.db2.gz JKKOWAZWCFCQSX-HNNXBMFYSA-N 0 3 304.459 2.484 20 30 DEEDHN C#CCCN1CCCN(C(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000982064917 635852660 /nfs/dbraw/zinc/85/26/60/635852660.db2.gz KZRWNQIEVZVQNB-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnoc3C3CC3)C2)C1 ZINC000982100078 635867644 /nfs/dbraw/zinc/86/76/44/635867644.db2.gz SPSFNTJJQIJYGJ-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)cs1 ZINC000922121125 635880004 /nfs/dbraw/zinc/88/00/04/635880004.db2.gz NVUHNYLXGZWUNB-CQSZACIVSA-N 0 3 318.446 2.390 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(OC)cc3)C2)C1 ZINC000982127748 635881683 /nfs/dbraw/zinc/88/16/83/635881683.db2.gz QISYVBHQPSMNNM-UHFFFAOYSA-N 0 3 300.402 2.419 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC2(C1)CCCN(CC=C)C2 ZINC000982130747 635884938 /nfs/dbraw/zinc/88/49/38/635884938.db2.gz CKXNJRCYMMFTIM-UHFFFAOYSA-N 0 3 308.425 2.321 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)COc3ccc(C)cc3)C2)C1 ZINC000982141262 635886429 /nfs/dbraw/zinc/88/64/29/635886429.db2.gz WDZVYWYHNAJLHV-UHFFFAOYSA-N 0 3 314.429 2.484 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001028230618 635928758 /nfs/dbraw/zinc/92/87/58/635928758.db2.gz QGDROGRDJGJIHH-OAHLLOKOSA-N 0 3 310.401 2.089 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ccc(F)cn3)C[C@]2(C)C1 ZINC000982263526 635930502 /nfs/dbraw/zinc/93/05/02/635930502.db2.gz PLURGNHKSKGAHM-HDICACEKSA-N 0 3 315.392 2.028 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001028242113 635951091 /nfs/dbraw/zinc/95/10/91/635951091.db2.gz BYJFJOHKXPZUMR-MRXNPFEDSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H](F)C1)CCO2 ZINC000949170629 635952570 /nfs/dbraw/zinc/95/25/70/635952570.db2.gz NYYGWFSTVZFKEY-CABCVRRESA-N 0 3 310.413 2.004 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC(C)(C)O)CC[C@@H]2C1 ZINC000946571259 635967985 /nfs/dbraw/zinc/96/79/85/635967985.db2.gz VFEXAXJLYRAEDX-OKILXGFUSA-N 0 3 314.857 2.070 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(COC)c(F)c1 ZINC001028285415 636037584 /nfs/dbraw/zinc/03/75/84/636037584.db2.gz XMOKSDWPWLANMJ-MRXNPFEDSA-N 0 3 318.392 2.190 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001028305008 636120495 /nfs/dbraw/zinc/12/04/95/636120495.db2.gz FGOZHVHZYQNDLH-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncccc1OCC ZINC001028357174 636146520 /nfs/dbraw/zinc/14/65/20/636146520.db2.gz BGZCPCDVQIZAEQ-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1 ZINC000922418325 636168252 /nfs/dbraw/zinc/16/82/52/636168252.db2.gz YUKLSEZKUDCQRN-XJKSGUPXSA-N 0 3 303.406 2.143 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3cccc(C#N)c3)C2)no1 ZINC001028390741 636169631 /nfs/dbraw/zinc/16/96/31/636169631.db2.gz GSDHZJGOHYCGHR-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001028473023 636237921 /nfs/dbraw/zinc/23/79/21/636237921.db2.gz YWVFKRHTQWIFET-KRWDZBQOSA-N 0 3 322.412 2.447 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccccn1)CC(C)C ZINC000922628582 636286621 /nfs/dbraw/zinc/28/66/21/636286621.db2.gz FQBLMDFLDZBWFZ-UHFFFAOYSA-N 0 3 316.449 2.204 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)[C@H]3CC3(F)F)C2)c1 ZINC001028528854 636319607 /nfs/dbraw/zinc/31/96/07/636319607.db2.gz RCHXGJOMZAYQEB-LSDHHAIUSA-N 0 3 319.355 2.152 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccc(OC)cc3)C[C@]2(C)C1 ZINC000982756151 636387982 /nfs/dbraw/zinc/38/79/82/636387982.db2.gz CRPOGJXZJVTZLC-KDURUIRLSA-N 0 3 312.413 2.112 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001028587795 636398504 /nfs/dbraw/zinc/39/85/04/636398504.db2.gz PXZPYJPNKCTOKD-CQSZACIVSA-N 0 3 300.402 2.233 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2conc2C2CCCC2)C1 ZINC001028588855 636405864 /nfs/dbraw/zinc/40/58/64/636405864.db2.gz IJDCYMFGCHKDDU-CQSZACIVSA-N 0 3 315.417 2.407 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC([C@H]2CCCN2Cc2ccon2)CC1 ZINC001004388678 636406131 /nfs/dbraw/zinc/40/61/31/636406131.db2.gz QGTGBCSSMIMFNI-CZUORRHYSA-N 0 3 316.405 2.037 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001028607616 636500567 /nfs/dbraw/zinc/50/05/67/636500567.db2.gz WLSGANJAKRQQFN-MGPQQGTHSA-N 0 3 316.367 2.426 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC000982965525 636559539 /nfs/dbraw/zinc/55/95/39/636559539.db2.gz AABHDRKOKTYGPI-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN N#Cc1ccc(F)c(CNC[C@H]2C[C@H](NC(=O)CC3CC3)C2)c1 ZINC000982991955 636567859 /nfs/dbraw/zinc/56/78/59/636567859.db2.gz KBGKECQZDCUPON-KOMQPUFPSA-N 0 3 315.392 2.482 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc3ncccc3s2)C1 ZINC001028736265 636684001 /nfs/dbraw/zinc/68/40/01/636684001.db2.gz BSJXKQUXMBFOOW-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2cc(C#N)cs2)cc1 ZINC000237134178 636716051 /nfs/dbraw/zinc/71/60/51/636716051.db2.gz QSUZTUUBDJJRHV-UHFFFAOYSA-N 0 3 315.398 2.148 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001028764635 636716249 /nfs/dbraw/zinc/71/62/49/636716249.db2.gz KYHGZFWDGWIUCE-CYBMUJFWSA-N 0 3 312.369 2.126 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001028773951 636725751 /nfs/dbraw/zinc/72/57/51/636725751.db2.gz PVAVCLPEHRSVNT-NSHDSACASA-N 0 3 310.319 2.179 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccnn2CC(C)C)CC1 ZINC001005457482 636743783 /nfs/dbraw/zinc/74/37/83/636743783.db2.gz CIEWRPRDZDCSCP-UHFFFAOYSA-N 0 3 304.438 2.262 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc3n[nH]cc3c2)CC1 ZINC001005564094 636777823 /nfs/dbraw/zinc/77/78/23/636777823.db2.gz HUJOSQQRKYFIHA-UHFFFAOYSA-N 0 3 313.405 2.070 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2noc3c2CCCCC3)C1 ZINC001028840024 636778711 /nfs/dbraw/zinc/77/87/11/636778711.db2.gz SMMGKMRWEVAHAN-AWEZNQCLSA-N 0 3 315.417 2.019 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2sc(C)cc2OC)C1 ZINC001028846250 636784483 /nfs/dbraw/zinc/78/44/83/636784483.db2.gz IQMFBKMEHIKXRO-ZDUSSCGKSA-N 0 3 306.431 2.140 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC001005658034 636808011 /nfs/dbraw/zinc/80/80/11/636808011.db2.gz RJAXOFPYRLTTND-UHFFFAOYSA-N 0 3 316.449 2.401 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001028893667 636822965 /nfs/dbraw/zinc/82/29/65/636822965.db2.gz LFEBDJCHTWHJLQ-NSHDSACASA-N 0 3 310.319 2.448 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(F)F)nn2C)CC1 ZINC001005708325 636826195 /nfs/dbraw/zinc/82/61/95/636826195.db2.gz OODOOXYCSZRAIR-UHFFFAOYSA-N 0 3 312.364 2.080 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc3ccncc32)C1 ZINC001028900816 636831212 /nfs/dbraw/zinc/83/12/12/636831212.db2.gz KSMBVZITLHESJQ-OAHLLOKOSA-N 0 3 307.397 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CO[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536268 643381698 /nfs/dbraw/zinc/38/16/98/643381698.db2.gz ZVKOHEBAYWCVPV-SMDDNHRTSA-N 0 3 322.792 2.480 20 30 DEEDHN N#CC(C(=O)CCC1CC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786570759 643387426 /nfs/dbraw/zinc/38/74/26/643387426.db2.gz PGWUOKWKIINRAV-GFCCVEGCSA-N 0 3 306.312 2.480 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786925667 643428554 /nfs/dbraw/zinc/42/85/54/643428554.db2.gz JYOLZIUEIQQCAQ-YNEHKIRRSA-N 0 3 324.384 2.041 20 30 DEEDHN Cc1sccc1CC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000786927571 643429723 /nfs/dbraw/zinc/42/97/23/643429723.db2.gz FCJDAHFDHCHENM-AWEZNQCLSA-N 0 3 322.430 2.239 20 30 DEEDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000787280482 643475454 /nfs/dbraw/zinc/47/54/54/643475454.db2.gz WQMMVEBHHATUQZ-NEPJUHHUSA-N 0 3 317.389 2.002 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cccnc1 ZINC000128897352 643531544 /nfs/dbraw/zinc/53/15/44/643531544.db2.gz RJGGVWCHVMCSPZ-ZDUSSCGKSA-N 0 3 309.325 2.441 20 30 DEEDHN CCCCN([O-])C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904214645 643612729 /nfs/dbraw/zinc/61/27/29/643612729.db2.gz IBOIMUAFNQBPBZ-CVEARBPZSA-N 0 3 322.453 2.252 20 30 DEEDHN CCCCN([O-])C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000904214645 643612730 /nfs/dbraw/zinc/61/27/30/643612730.db2.gz IBOIMUAFNQBPBZ-CVEARBPZSA-N 0 3 322.453 2.252 20 30 DEEDHN CSc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)cnn1C ZINC000791770233 644027628 /nfs/dbraw/zinc/02/76/28/644027628.db2.gz AIFJJBNZCLPMOO-NSHDSACASA-N 0 3 314.370 2.103 20 30 DEEDHN C#CCN(C(=O)c1cccnc1OC(C)C)C1CCN(C)CC1 ZINC000906451570 644253419 /nfs/dbraw/zinc/25/34/19/644253419.db2.gz IFHCKVRYFMCXSJ-UHFFFAOYSA-N 0 3 315.417 2.038 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000794575355 644439360 /nfs/dbraw/zinc/43/93/60/644439360.db2.gz ANYLBMGNVKARFX-KGLIPLIRSA-N 0 3 321.808 2.247 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000907141985 644455649 /nfs/dbraw/zinc/45/56/49/644455649.db2.gz JYEDLMUUHKMLJQ-GJZGRUSLSA-N 0 3 320.458 2.067 20 30 DEEDHN COC(=O)CCCN1CCC(N=Nc2ncccc2F)CC1 ZINC000794992691 644505682 /nfs/dbraw/zinc/50/56/82/644505682.db2.gz AWHLBJUZYSNRJO-UHFFFAOYSA-N 0 3 308.357 2.038 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000795584298 644601119 /nfs/dbraw/zinc/60/11/19/644601119.db2.gz PHWKSFIIEUPFMF-ZIAGYGMSSA-N 0 3 323.820 2.087 20 30 DEEDHN CCCCOC(=O)COC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000795825752 644642007 /nfs/dbraw/zinc/64/20/07/644642007.db2.gz QCDQSRJRLCZDAN-HNNXBMFYSA-N 0 3 314.341 2.127 20 30 DEEDHN CNC(=O)C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000796615161 644765575 /nfs/dbraw/zinc/76/55/75/644765575.db2.gz ZQWPJAUUEYSLBA-QZTJIDSGSA-N 0 3 323.396 2.059 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3cnc(C4CC4)o3)CCC[C@@H]12 ZINC000991101600 644767520 /nfs/dbraw/zinc/76/75/20/644767520.db2.gz YNWWWYUMKFXFIO-CRAIPNDOSA-N 0 3 313.401 2.302 20 30 DEEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000796646558 644771392 /nfs/dbraw/zinc/77/13/92/644771392.db2.gz JBFPDTKXKSJKCU-ZOWXZIJZSA-N 0 3 304.394 2.242 20 30 DEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000796884772 644808090 /nfs/dbraw/zinc/80/80/90/644808090.db2.gz KSOKHRSZEQRBOF-JLJPHGGASA-N 0 3 316.401 2.381 20 30 DEEDHN Cc1c(CC(=O)C(C#N)c2nc3c(cccc3C)[nH]2)cnn1C ZINC000796914221 644812674 /nfs/dbraw/zinc/81/26/74/644812674.db2.gz XPQJFACPZZBKIA-ZDUSSCGKSA-N 0 3 307.357 2.332 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccnc(Cl)c1Cl ZINC000908437538 644860704 /nfs/dbraw/zinc/86/07/04/644860704.db2.gz QDCNQHNXLLJVDG-UHFFFAOYSA-N 0 3 300.189 2.073 20 30 DEEDHN C#Cc1cncc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000798291046 644996802 /nfs/dbraw/zinc/99/68/02/644996802.db2.gz NLQYJAZIHUKDHF-UHFFFAOYSA-N 0 3 323.396 2.393 20 30 DEEDHN C#C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(C)C ZINC000798551976 645036459 /nfs/dbraw/zinc/03/64/59/645036459.db2.gz KIILSZJIYDXFJY-HNNXBMFYSA-N 0 3 323.506 2.305 20 30 DEEDHN C[C@@H](C#N)OCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000801841231 645448157 /nfs/dbraw/zinc/44/81/57/645448157.db2.gz JKVRLOIATGXYIH-HNNXBMFYSA-N 0 3 316.401 2.370 20 30 DEEDHN C#CCSCCNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000806845094 645878387 /nfs/dbraw/zinc/87/83/87/645878387.db2.gz HGQYVDYPJKYINJ-KGLIPLIRSA-N 0 3 323.462 2.374 20 30 DEEDHN CCCN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CCN(C)C1 ZINC000843988361 651058729 /nfs/dbraw/zinc/05/87/29/651058729.db2.gz JEVXRIGWXIAKPE-INIZCTEOSA-N 0 3 315.417 2.074 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000912125353 645952558 /nfs/dbraw/zinc/95/25/58/645952558.db2.gz YMKIBGWOGSAUKS-NSHDSACASA-N 0 3 305.403 2.353 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000912323551 646027437 /nfs/dbraw/zinc/02/74/37/646027437.db2.gz WIQYBJMLFVLPCH-CQSZACIVSA-N 0 3 303.406 2.367 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(C(=O)NCCC)c1 ZINC000912367385 646044924 /nfs/dbraw/zinc/04/49/24/646044924.db2.gz DIUMNVZQDVQNMT-INIZCTEOSA-N 0 3 317.433 2.126 20 30 DEEDHN C[C@]1(NC(=O)c2cc(F)c(C#N)c(F)c2)CN2CCC1CC2 ZINC000912373394 646047063 /nfs/dbraw/zinc/04/70/63/646047063.db2.gz CFDZFNCNASNKQL-INIZCTEOSA-N 0 3 305.328 2.051 20 30 DEEDHN C#CCCCS(=O)(=O)N(CCC)CCN1CCCCCC1 ZINC000808335453 646071706 /nfs/dbraw/zinc/07/17/06/646071706.db2.gz ZUNUMKRAUBGTAG-UHFFFAOYSA-N 0 3 314.495 2.318 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@H](C)SC)c1 ZINC000156322549 646413899 /nfs/dbraw/zinc/41/38/99/646413899.db2.gz AFJHFMKMEMTGAZ-GWCFXTLKSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)c(OC)c2)C[C@H]1C ZINC000947739731 646512836 /nfs/dbraw/zinc/51/28/36/646512836.db2.gz BXEDJXBCANRLFA-HIFRSBDPSA-N 0 3 318.392 2.440 20 30 DEEDHN CON=CC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000811528911 646540390 /nfs/dbraw/zinc/54/03/90/646540390.db2.gz OAVNNPVJVOPQIR-INIZCTEOSA-N 0 3 305.422 2.236 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCOC2)cc1 ZINC000171036213 646682838 /nfs/dbraw/zinc/68/28/38/646682838.db2.gz LLZLOEZMUPZMPT-DZGCQCFKSA-N 0 3 300.358 2.323 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3nccnc3c2)C[C@H]1C ZINC000948005952 646688554 /nfs/dbraw/zinc/68/85/54/646688554.db2.gz BFGNIZPFXIKPKO-UKRRQHHQSA-N 0 3 310.401 2.399 20 30 DEEDHN COC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000813059917 646722592 /nfs/dbraw/zinc/72/25/92/646722592.db2.gz LEICNOBOWDSRNS-ZOWXZIJZSA-N 0 3 318.373 2.261 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109776 646730489 /nfs/dbraw/zinc/73/04/89/646730489.db2.gz WLXUCTNZKLWVDX-SMDDNHRTSA-N 0 3 306.318 2.170 20 30 DEEDHN C[C@@H]1CC[C@@H](CCC(=O)C(C#N)C(=O)NCc2ccccc2)O1 ZINC000173954471 646784416 /nfs/dbraw/zinc/78/44/16/646784416.db2.gz GDDFWXFBYJPJAL-VNQPRFMTSA-N 0 3 314.385 2.359 20 30 DEEDHN CCCOc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000173973202 646785696 /nfs/dbraw/zinc/78/56/96/646785696.db2.gz FVMOWNOQTIGIRC-INIZCTEOSA-N 0 3 314.385 2.395 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)C3CCC(OC)CC3)CCC[C@@H]12 ZINC000992153657 646875800 /nfs/dbraw/zinc/87/58/00/646875800.db2.gz NDIUASZWOPKCNT-AJTLQJAISA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4cccnn43)CCC[C@H]12 ZINC000992284904 646929779 /nfs/dbraw/zinc/92/97/79/646929779.db2.gz HQBOTCBTKAQOCL-FUHWJXTLSA-N 0 3 310.401 2.247 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc4cccnn43)CCC[C@H]12 ZINC000992293605 646933498 /nfs/dbraw/zinc/93/34/98/646933498.db2.gz PPPHPSLXWVGXKG-HKUYNNGSSA-N 0 3 322.412 2.084 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc(C)nc3C)CCC[C@@H]12 ZINC000992325818 646947703 /nfs/dbraw/zinc/94/77/03/646947703.db2.gz DVBIPJYIALQYFK-NVXWUHKLSA-N 0 3 300.406 2.006 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3nnn(C(C)C)c3C)CCC[C@H]12 ZINC000992396036 646970177 /nfs/dbraw/zinc/97/01/77/646970177.db2.gz UAEPNWVEWZFBLB-YOEHRIQHSA-N 0 3 317.437 2.080 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cncc(F)c2)cc1 ZINC000151627757 646985213 /nfs/dbraw/zinc/98/52/13/646985213.db2.gz CPXJDFKTOOFCCX-CQSZACIVSA-N 0 3 313.288 2.190 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)C3CC4(C3)CCOCC4)CCC[C@H]12 ZINC000992432300 646998467 /nfs/dbraw/zinc/99/84/67/646998467.db2.gz PZSXDIIVSQNILO-QFBILLFUSA-N 0 3 318.461 2.492 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3Cc4cccnc4C3)CCC[C@H]12 ZINC000992465482 647038665 /nfs/dbraw/zinc/03/86/65/647038665.db2.gz RLENYJPHDXULDK-HHXXYDBFSA-N 0 3 311.429 2.096 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cn3ccc4ccccc43)CCC[C@H]12 ZINC000992491876 647065973 /nfs/dbraw/zinc/06/59/73/647065973.db2.gz HFIJVWDKKZKJRV-ICSRJNTNSA-N 0 3 321.424 2.388 20 30 DEEDHN C#CCC(CC#C)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000816641176 647161701 /nfs/dbraw/zinc/16/17/01/647161701.db2.gz KNCXUCCWYSKSEJ-UHFFFAOYSA-N 0 3 311.429 2.025 20 30 DEEDHN CC(=O)N[C@H](C)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421707 647193516 /nfs/dbraw/zinc/19/35/16/647193516.db2.gz MOPWDNKRPVZESG-GMSGAONNSA-N 0 3 305.334 2.136 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993030074 647359773 /nfs/dbraw/zinc/35/97/73/647359773.db2.gz CWKIACZXOBVEPU-OLZOCXBDSA-N 0 3 308.451 2.395 20 30 DEEDHN COc1cc(CNC(=O)[C@@H](N)CCCC#N)ccc1OC(C)C ZINC000818058356 647414837 /nfs/dbraw/zinc/41/48/37/647414837.db2.gz GPWJTUQWTQBXCV-AWEZNQCLSA-N 0 3 319.405 2.120 20 30 DEEDHN CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000818056275 647414965 /nfs/dbraw/zinc/41/49/65/647414965.db2.gz CAVZOOGTSOOXSP-ZDUSSCGKSA-N 0 3 316.405 2.175 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000818055918 647414990 /nfs/dbraw/zinc/41/49/90/647414990.db2.gz OPGNABDKWGZRHO-IRXDYDNUSA-N 0 3 311.385 2.011 20 30 DEEDHN CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccncn2)CC1 ZINC000835002248 647415244 /nfs/dbraw/zinc/41/52/44/647415244.db2.gz NFFYFXRYLVBACO-UHFFFAOYSA-N 0 3 324.432 2.455 20 30 DEEDHN CC(C)=CCN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993168834 647469234 /nfs/dbraw/zinc/46/92/34/647469234.db2.gz JCFDUJITRMQTTA-ZFWWWQNUSA-N 0 3 300.406 2.435 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000818612307 647488526 /nfs/dbraw/zinc/48/85/26/647488526.db2.gz VADOCXFQHNAXQQ-AWEZNQCLSA-N 0 3 322.836 2.487 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccnn2C2CCC2)[C@H]1C ZINC000993366168 647628864 /nfs/dbraw/zinc/62/88/64/647628864.db2.gz NBALGAMQSSBEGC-ZBFHGGJFSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC=C)Cc1ccccc1 ZINC000840379644 647634047 /nfs/dbraw/zinc/63/40/47/647634047.db2.gz NFYPLWHHKUFSPQ-SFHVURJKSA-N 0 3 313.445 2.428 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1C ZINC000993395257 647646977 /nfs/dbraw/zinc/64/69/77/647646977.db2.gz LXNCDDGQFRPPHB-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H]1C ZINC000993408988 647654230 /nfs/dbraw/zinc/65/42/30/647654230.db2.gz HOHYUYFHDPTIRN-JSGCOSHPSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H]1C ZINC000993485081 647684622 /nfs/dbraw/zinc/68/46/22/647684622.db2.gz BXTJDLTULCRSCC-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3n[nH]cc3c2)[C@@H]1C ZINC000993485001 647684992 /nfs/dbraw/zinc/68/49/92/647684992.db2.gz ZZGVTWMGOWYUIP-WFASDCNBSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cn(C)nc2CC)[C@H]1C ZINC000993488304 647685232 /nfs/dbraw/zinc/68/52/32/647685232.db2.gz NKQNGFMLQUVCOP-CJNGLKHVSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ncn3ccc(C)cc23)[C@@H]1C ZINC000993515740 647688157 /nfs/dbraw/zinc/68/81/57/647688157.db2.gz UGFQELBIPVAVPP-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc3cnccc3c2)[C@H]1C ZINC000993585040 647697482 /nfs/dbraw/zinc/69/74/82/647697482.db2.gz BSZOQXSPPNGBBT-RHSMWYFYSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H]1C ZINC000993600537 647703494 /nfs/dbraw/zinc/70/34/94/647703494.db2.gz MXRVOUIDKJYGRY-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@H]1C ZINC000993711664 647728872 /nfs/dbraw/zinc/72/88/72/647728872.db2.gz 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C[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(OCC#N)cc1 ZINC000844312518 651109641 /nfs/dbraw/zinc/10/96/41/651109641.db2.gz LYCJYCPOJFJUOC-LRDDRELGSA-N 0 3 315.373 2.223 20 30 DEEDHN COC/C(C)=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000844385906 651121545 /nfs/dbraw/zinc/12/15/45/651121545.db2.gz HLSSCBWLMMRVFX-XNTDXEJSSA-N 0 3 315.417 2.041 20 30 DEEDHN C[C@]1(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]1(F)Cl ZINC000844630686 651148839 /nfs/dbraw/zinc/14/88/39/651148839.db2.gz JOXNZRNMERENKV-VHDGCEQUSA-N 0 3 309.772 2.379 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000847257306 651384882 /nfs/dbraw/zinc/38/48/82/651384882.db2.gz WERMGOVRSBTHIR-QZTJIDSGSA-N 0 3 312.413 2.445 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)CN2CC[C@H](C)C2)c1 ZINC000847495776 651398802 /nfs/dbraw/zinc/39/88/02/651398802.db2.gz GVLGKHLAGRVPNL-HOCLYGCPSA-N 0 3 315.417 2.326 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)CN2CC[C@H](C)C2)c1 ZINC000847495775 651398867 /nfs/dbraw/zinc/39/88/67/651398867.db2.gz GVLGKHLAGRVPNL-GOEBONIOSA-N 0 3 315.417 2.326 20 30 DEEDHN CC(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1C ZINC000848395446 651455903 /nfs/dbraw/zinc/45/59/03/651455903.db2.gz GGDLFMUGVDLHMF-CQSZACIVSA-N 0 3 302.378 2.303 20 30 DEEDHN CCCNC(=O)c1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000848395286 651456066 /nfs/dbraw/zinc/45/60/66/651456066.db2.gz BBDHKSVMXWHOSN-AWEZNQCLSA-N 0 3 316.405 2.176 20 30 DEEDHN Cc1cccc(OCCCNC(=O)[C@H](N)CCCCC#N)c1 ZINC000848397168 651456233 /nfs/dbraw/zinc/45/62/33/651456233.db2.gz VAEAPXOQQYOIJN-MRXNPFEDSA-N 0 3 303.406 2.291 20 30 DEEDHN C=CCOc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577726 651474130 /nfs/dbraw/zinc/47/41/30/651474130.db2.gz JOXFMSUFZPWDSL-MRXNPFEDSA-N 0 3 302.374 2.324 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849578189 651686604 /nfs/dbraw/zinc/68/66/04/651686604.db2.gz USFDHFHDSVZFIX-USXIJHARSA-N 0 3 318.465 2.316 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849587935 651687678 /nfs/dbraw/zinc/68/76/78/651687678.db2.gz JSEFKUDJWHXRKC-IXDOHACOSA-N 0 3 316.449 2.023 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@H](OC)C2)cc1 ZINC000850761076 651982845 /nfs/dbraw/zinc/98/28/45/651982845.db2.gz GOQMMBOKVHAIAQ-BYCMXARLSA-N 0 3 316.357 2.158 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@@H](OC)C2)cc1 ZINC000850761078 651982868 /nfs/dbraw/zinc/98/28/68/651982868.db2.gz GOQMMBOKVHAIAQ-NILFDRSVSA-N 0 3 316.357 2.158 20 30 DEEDHN CO[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)C1 ZINC000850976731 652034191 /nfs/dbraw/zinc/03/41/91/652034191.db2.gz HLLIKQZLMFEZGV-OAGGEKHMSA-N 0 3 314.385 2.135 20 30 DEEDHN C#CCOCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000851735579 652221760 /nfs/dbraw/zinc/22/17/60/652221760.db2.gz XZOOUXKINJQHBW-GOSISDBHSA-N 0 3 303.402 2.326 20 30 DEEDHN Cc1ccc(O[C@@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)nc1 ZINC000858038241 652241869 /nfs/dbraw/zinc/24/18/69/652241869.db2.gz ZDGKNAWYLGQSOB-MSOLQXFVSA-N 0 3 323.396 2.448 20 30 DEEDHN C#CCCN1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000851872497 652266830 /nfs/dbraw/zinc/26/68/30/652266830.db2.gz FPCWBDXLFNRCEN-UHFFFAOYSA-N 0 3 322.355 2.192 20 30 DEEDHN C#CCOCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000851919286 652280263 /nfs/dbraw/zinc/28/02/63/652280263.db2.gz HROBEOGWLPOOSP-LBPRGKRZSA-N 0 3 301.312 2.189 20 30 DEEDHN C#CC[C@H](CCOC)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000858333878 652309732 /nfs/dbraw/zinc/30/97/32/652309732.db2.gz PAVIBKHYUHOARU-CYBMUJFWSA-N 0 3 320.824 2.448 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N(C)CCCOc1ccccc1 ZINC000852103178 652339834 /nfs/dbraw/zinc/33/98/34/652339834.db2.gz ZNWVHABHRVQCFT-GOSISDBHSA-N 0 3 302.418 2.305 20 30 DEEDHN Cc1cc([C@H](N)CC(=O)N2CC[C@@](C)(C#N)C2)cc(Cl)n1 ZINC000852916959 652479416 /nfs/dbraw/zinc/47/94/16/652479416.db2.gz UZXSYOJLLJUOSO-DOMZBBRYSA-N 0 3 306.797 2.196 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\CCN(C)C(=O)OC)c([O-])c1 ZINC000852998342 652487990 /nfs/dbraw/zinc/48/79/90/652487990.db2.gz LCWZZUMDKYETRT-ATVHPVEESA-N 0 3 307.394 2.356 20 30 DEEDHN COc1cccc(CN2CCC(Nc3cc(C#N)cnn3)CC2)c1 ZINC000853202833 652521578 /nfs/dbraw/zinc/52/15/78/652521578.db2.gz JCOHBZNSXNCDTR-UHFFFAOYSA-N 0 3 323.400 2.433 20 30 DEEDHN CC1(C)C[C@H](ON=Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000853643432 652583275 /nfs/dbraw/zinc/58/32/75/652583275.db2.gz VOHMYXQUFQSXOU-INIZCTEOSA-N 0 3 304.390 2.441 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001371759605 1156003873 /nfs/dbraw/zinc/00/38/73/1156003873.db2.gz IFXAAPDQMLQWJA-GFCCVEGCSA-N 0 3 312.845 2.394 20 30 DEEDHN C#CCOc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000119058674 684077042 /nfs/dbraw/zinc/07/70/42/684077042.db2.gz AXAXDHHBHRAYGZ-UHFFFAOYSA-N 0 3 302.418 2.358 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)C2(N(C)C)CCC2)c1 ZINC000119925820 684088691 /nfs/dbraw/zinc/08/86/91/684088691.db2.gz LBAUQHFRVSHIER-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN N#CC(C(=O)Cc1ccc(F)cc1F)C(=O)NC1CCCC1 ZINC000120153027 684093076 /nfs/dbraw/zinc/09/30/76/684093076.db2.gz CSLFTELYAZYSAL-CYBMUJFWSA-N 0 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XHSXZSNSZJATKO-INIZCTEOSA-N 0 3 303.431 2.095 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCCCO1)C2 ZINC001054113913 693849897 /nfs/dbraw/zinc/84/98/97/693849897.db2.gz QIMRWXANIQWZAU-HKUYNNGSSA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ncccc1C)C2 ZINC001054114127 693850219 /nfs/dbraw/zinc/85/02/19/693850219.db2.gz VOHPZVYUKSXOGS-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN C=CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(OCC)no1)C2 ZINC001054166192 693868173 /nfs/dbraw/zinc/86/81/73/693868173.db2.gz YDJDEECZQRVOOD-KRWDZBQOSA-N 0 3 319.405 2.187 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ncc(Cl)s1)C2 ZINC001054163960 693867579 /nfs/dbraw/zinc/86/75/79/693867579.db2.gz VSOCKQJCJVTKOS-OAHLLOKOSA-N 0 3 323.849 2.358 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CCC(F)CC1)C2 ZINC001054191922 693875721 /nfs/dbraw/zinc/87/57/21/693875721.db2.gz OYOGZTQLJMTNLG-LEOMRAHMSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CC)CCOCC1)C2 ZINC001054220166 693887808 /nfs/dbraw/zinc/88/78/08/693887808.db2.gz DQWWGRDEWABGGE-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCCOC1)C2 ZINC001054220426 693888099 /nfs/dbraw/zinc/88/80/99/693888099.db2.gz DLGUHGSUZCZSMI-HKUYNNGSSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ncccc1Cl)C2 ZINC001054230408 693892789 /nfs/dbraw/zinc/89/27/89/693892789.db2.gz SLONOQIQHZSTOC-QGZVFWFLSA-N 0 3 317.820 2.296 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054315066 693926121 /nfs/dbraw/zinc/92/61/21/693926121.db2.gz CMMXTBLWIUVTFP-MFKMUULPSA-N 0 3 309.410 2.304 20 30 DEEDHN C[C@H]1CN(C(=O)CC2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054325177 693931949 /nfs/dbraw/zinc/93/19/49/693931949.db2.gz XIYDNLYAPRDKEL-YVEFUNNKSA-N 0 3 315.392 2.434 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000859250867 685691043 /nfs/dbraw/zinc/69/10/43/685691043.db2.gz PRNLXILFQYGAAC-UHFFFAOYSA-N 0 3 317.220 2.107 20 30 DEEDHN CCCCCCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000859403090 685723308 /nfs/dbraw/zinc/72/33/08/685723308.db2.gz OVDIJRFVRXVLSK-HNNXBMFYSA-N 0 3 311.470 2.014 20 30 DEEDHN Cc1ccccc1CO[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000860462011 685929600 /nfs/dbraw/zinc/92/96/00/685929600.db2.gz PGVCIQZKAPNFTB-HOCLYGCPSA-N 0 3 314.385 2.231 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860462965 685929979 /nfs/dbraw/zinc/92/99/79/685929979.db2.gz ILGBAIJMMWCRRI-KGLIPLIRSA-N 0 3 320.389 2.413 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cn(C3CC3)nn2)cc1 ZINC000860468319 685930366 /nfs/dbraw/zinc/93/03/66/685930366.db2.gz BHIISGHVISETNZ-AWEZNQCLSA-N 0 3 323.356 2.137 20 30 DEEDHN CCOc1cccc(CCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000860472451 685931288 /nfs/dbraw/zinc/93/12/88/685931288.db2.gz ABCLXSUWMMEUAS-HNNXBMFYSA-N 0 3 302.374 2.251 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cn1nccc1C)c1ccccc1 ZINC000860694065 685952240 /nfs/dbraw/zinc/95/22/40/685952240.db2.gz KTINGYNTYVBESN-JKSUJKDBSA-N 0 3 324.384 2.168 20 30 DEEDHN COCCN1CCC[C@H]1COC(=O)c1ccc(C#N)cc1C ZINC000861035322 685988697 /nfs/dbraw/zinc/98/86/97/685988697.db2.gz ZDUYPCXRHNDPRT-HNNXBMFYSA-N 0 3 302.374 2.134 20 30 DEEDHN CN(C)Cc1cccc(NC(=O)NCC#C[C@@H]2CCCCO2)c1 ZINC000929564291 693980373 /nfs/dbraw/zinc/98/03/73/693980373.db2.gz XDBKEXVGUYPBCL-KRWDZBQOSA-N 0 3 315.417 2.442 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cncn2C)C1 ZINC001054675603 694021840 /nfs/dbraw/zinc/02/18/40/694021840.db2.gz AXMHPZIQWCYWHF-SMDDNHRTSA-N 0 3 324.856 2.135 20 30 DEEDHN C#CC[C@@H](COC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000863796955 686576718 /nfs/dbraw/zinc/57/67/18/686576718.db2.gz YLOWGLJSFYFMKY-KRWDZBQOSA-N 0 3 300.402 2.051 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cnnn2CC)c([O-])c1 ZINC000864344956 686692567 /nfs/dbraw/zinc/69/25/67/686692567.db2.gz KXPBCEJEYUKSBV-YVLHZVERSA-N 0 3 301.394 2.469 20 30 DEEDHN N#Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)co1 ZINC000864823855 686855621 /nfs/dbraw/zinc/85/56/21/686855621.db2.gz 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/nfs/dbraw/zinc/47/39/72/687473972.db2.gz MXDLSQTZTWQFDR-CQSZACIVSA-N 0 3 313.426 2.432 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001016010480 687498965 /nfs/dbraw/zinc/49/89/65/687498965.db2.gz VAQYDTQVBGIHGK-QGZVFWFLSA-N 0 3 313.445 2.342 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)cn1 ZINC001016032064 687504976 /nfs/dbraw/zinc/50/49/76/687504976.db2.gz VBHBEGUZAKSULN-SFHVURJKSA-N 0 3 309.413 2.367 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001016164961 687545987 /nfs/dbraw/zinc/54/59/87/687545987.db2.gz OPQBNNFLFJVIKK-CQSZACIVSA-N 0 3 312.369 2.173 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(OC(C)C)cc2)C1 ZINC001016322281 687590811 /nfs/dbraw/zinc/59/08/11/687590811.db2.gz XLGUSVDXPXGWKM-QGZVFWFLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016329906 687592932 /nfs/dbraw/zinc/59/29/32/687592932.db2.gz DALYGRUBTGYARZ-INIZCTEOSA-N 0 3 321.852 2.305 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(F)cc2)CC1 ZINC001016471543 687632639 /nfs/dbraw/zinc/63/26/39/687632639.db2.gz XUEGQWFEOGFQJK-MRXNPFEDSA-N 0 3 300.377 2.433 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2csnc2C)CC1 ZINC001016577508 687656467 /nfs/dbraw/zinc/65/64/67/687656467.db2.gz BONAANGWADPWKT-CQSZACIVSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccccc2OCC=C)CC1 ZINC001016694805 687683330 /nfs/dbraw/zinc/68/33/30/687683330.db2.gz RFFLASZBUYOZHC-GOSISDBHSA-N 0 3 324.424 2.469 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(CC)o2)CC1 ZINC001016694436 687683335 /nfs/dbraw/zinc/68/33/35/687683335.db2.gz NROVXMKNGJTQSG-INIZCTEOSA-N 0 3 300.402 2.450 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CC2CC(F)(F)C2)CC1 ZINC001016695578 687684441 /nfs/dbraw/zinc/68/44/41/687684441.db2.gz NWSCRTSSRQOEPX-AWEZNQCLSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001016790539 687703911 /nfs/dbraw/zinc/70/39/11/687703911.db2.gz HJEUUNOWUBOWIJ-KBPBESRZSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001016790542 687703921 /nfs/dbraw/zinc/70/39/21/687703921.db2.gz HJEUUNOWUBOWIJ-ZIAGYGMSSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2coc(C(F)F)c2)CC1 ZINC001016799049 687706577 /nfs/dbraw/zinc/70/65/77/687706577.db2.gz VNPSKKVOEGKDGX-CYBMUJFWSA-N 0 3 308.328 2.435 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2cc(C)ccc2C)CC1 ZINC001016805486 687707682 /nfs/dbraw/zinc/70/76/82/687707682.db2.gz ZWAHTSOCOVPLJL-SFHVURJKSA-N 0 3 310.441 2.450 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC001016850955 687718354 /nfs/dbraw/zinc/71/83/54/687718354.db2.gz MXBNVPRCJYBAKJ-MOPGFXCFSA-N 0 3 322.452 2.395 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2oc(C3CC3)nc2C)CC1 ZINC001016868897 687722334 /nfs/dbraw/zinc/72/23/34/687722334.db2.gz YZOOUTXKNQZVNT-AWEZNQCLSA-N 0 3 313.401 2.078 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2sc(CC)nc2C)CC1 ZINC001016874909 687724032 /nfs/dbraw/zinc/72/40/32/687724032.db2.gz 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C#CCN[C@H]1CCN(C(=O)c2oc3ccc(F)cc3c2C)C1 ZINC001018968133 688263784 /nfs/dbraw/zinc/26/37/84/688263784.db2.gz VGOBJQRIEGJAIU-ZDUSSCGKSA-N 0 3 300.333 2.318 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3cccnc3)C2)cc1 ZINC001019223486 688302669 /nfs/dbraw/zinc/30/26/69/688302669.db2.gz ZNZFRBGRISLXSO-SFHVURJKSA-N 0 3 305.381 2.067 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3ccccc3F)CCC2)C1 ZINC001019640195 688384838 /nfs/dbraw/zinc/38/48/38/688384838.db2.gz FYMPYWDEYVGQLM-AWEZNQCLSA-N 0 3 300.377 2.071 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001020287826 688496990 /nfs/dbraw/zinc/49/69/90/688496990.db2.gz MNSCQHKTHPSLEU-JOCQHMNTSA-N 0 3 318.808 2.246 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000870142585 688497212 /nfs/dbraw/zinc/49/72/12/688497212.db2.gz LEHNQRDHBOEJOF-YVECIDJPSA-N 0 3 316.357 2.156 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001022339383 688517300 /nfs/dbraw/zinc/51/73/00/688517300.db2.gz 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COc1ccc(C#N)cc1CN1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930909461 694268762 /nfs/dbraw/zinc/26/87/62/694268762.db2.gz QFRMYJDENOITJV-XUJVJEKNSA-N 0 3 301.390 2.041 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)cn1 ZINC001032808611 689267693 /nfs/dbraw/zinc/26/76/93/689267693.db2.gz JVHJLUHEJGIAAR-HOTGVXAUSA-N 0 3 314.433 2.013 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001033117384 689393815 /nfs/dbraw/zinc/39/38/15/689393815.db2.gz PPZAZKOKNCZQDN-CQSZACIVSA-N 0 3 316.449 2.021 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccnn2C(CC)CC)C1 ZINC001033152273 689406676 /nfs/dbraw/zinc/40/66/76/689406676.db2.gz OLLMJQFIZRLGHE-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccnn2-c2ccccc2)C1 ZINC001033195960 689420994 /nfs/dbraw/zinc/42/09/94/689420994.db2.gz XWYXDBGMEWGFLR-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccsc2COC)C1 ZINC001033195797 689421338 /nfs/dbraw/zinc/42/13/38/689421338.db2.gz 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C#CCCN1CC[C@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001033461084 689507935 /nfs/dbraw/zinc/50/79/35/689507935.db2.gz WZDOXZZLVXGABX-ZDUSSCGKSA-N 0 3 324.346 2.202 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001033466837 689511171 /nfs/dbraw/zinc/51/11/71/689511171.db2.gz PHMVMFSCODXQPU-IBGZPJMESA-N 0 3 323.440 2.232 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001033500967 689523206 /nfs/dbraw/zinc/52/32/06/689523206.db2.gz RAXZBEGEMOVYMC-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001033502966 689523301 /nfs/dbraw/zinc/52/33/01/689523301.db2.gz UINGYMAFKJMCKU-GFCCVEGCSA-N 0 3 311.813 2.288 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn(CCC)c2C)C1 ZINC001033529312 689532644 /nfs/dbraw/zinc/53/26/44/689532644.db2.gz KAQGNRXZJIPRKZ-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001033585378 689551770 /nfs/dbraw/zinc/55/17/70/689551770.db2.gz 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/nfs/dbraw/zinc/64/05/34/689640534.db2.gz RMNYGWMAZQZNGM-HZPDHXFCSA-N 0 3 319.449 2.245 20 30 DEEDHN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc3cncn3c2C)C1 ZINC001033876676 689647134 /nfs/dbraw/zinc/64/71/34/689647134.db2.gz ACNBURLRABEGGK-KRWDZBQOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc3nccn32)C1 ZINC001033895675 689653870 /nfs/dbraw/zinc/65/38/70/689653870.db2.gz AYWFNTPSAHGNDO-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(F)ccc2OC)C1 ZINC001033914209 689660051 /nfs/dbraw/zinc/66/00/51/689660051.db2.gz BZFQLUOSLLEGQL-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccn(C)c2CC)C1 ZINC001033952666 689671824 /nfs/dbraw/zinc/67/18/24/689671824.db2.gz YKKFIRGXFVMDRF-OAHLLOKOSA-N 0 3 301.434 2.147 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001034002899 689689099 /nfs/dbraw/zinc/68/90/99/689689099.db2.gz CMPXWCFIGDDODL-AWEZNQCLSA-N 0 3 303.406 2.072 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c[nH]c3cccnc23)C1 ZINC001034019227 689695635 /nfs/dbraw/zinc/69/56/35/689695635.db2.gz NUQXXCRIZOOJNJ-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cn3ccccc3n2)C1 ZINC001034031816 689700489 /nfs/dbraw/zinc/70/04/89/689700489.db2.gz HCNOLUZAQORVRX-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001034221081 689768812 /nfs/dbraw/zinc/76/88/12/689768812.db2.gz YZCONVIUFZZOSU-CYBMUJFWSA-N 0 3 304.438 2.478 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001034221087 689768858 /nfs/dbraw/zinc/76/88/58/689768858.db2.gz JTTVDQSWVOKFDN-LBPRGKRZSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001034282522 689793266 /nfs/dbraw/zinc/79/32/66/689793266.db2.gz KUPRMVIKBZJOCT-CQSZACIVSA-N 0 3 316.449 2.449 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCn3nccc32)C1 ZINC001034284008 689794193 /nfs/dbraw/zinc/79/41/93/689794193.db2.gz YVFATBKZCLFXTP-CVEARBPZSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001034298355 689800713 /nfs/dbraw/zinc/80/07/13/689800713.db2.gz LVMYYGOAQQIKOP-AWEZNQCLSA-N 0 3 307.825 2.286 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001034362374 689823467 /nfs/dbraw/zinc/82/34/67/689823467.db2.gz AZZQAXYWRXXODI-HNNXBMFYSA-N 0 3 315.417 2.009 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001034432969 689848575 /nfs/dbraw/zinc/84/85/75/689848575.db2.gz BCIYMMWANILQJL-CYBMUJFWSA-N 0 3 320.824 2.046 20 30 DEEDHN Cc1cccc(O)c1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000876560021 689856526 /nfs/dbraw/zinc/85/65/26/689856526.db2.gz CUYPDIIWDBSZNV-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001034463524 689859070 /nfs/dbraw/zinc/85/90/70/689859070.db2.gz UGZOXCJHMLXFST-INIZCTEOSA-N 0 3 316.449 2.209 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001034483735 689868669 /nfs/dbraw/zinc/86/86/69/689868669.db2.gz URTDFDVWFGZLSB-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC001034502637 689875692 /nfs/dbraw/zinc/87/56/92/689875692.db2.gz VWUWULSCDFXGLQ-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001034501268 689875806 /nfs/dbraw/zinc/87/58/06/689875806.db2.gz SHBISFYYOUMLIH-DLBZAZTESA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)ccc1OCCOC ZINC000876626790 689880982 /nfs/dbraw/zinc/88/09/82/689880982.db2.gz IXIKSVFHURJJNU-LLVKDONJSA-N 0 3 316.760 2.259 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000876660062 689893134 /nfs/dbraw/zinc/89/31/34/689893134.db2.gz MPGLVZLVSWZIFY-HUUCEWRRSA-N 0 3 318.808 2.211 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001034545534 689894255 /nfs/dbraw/zinc/89/42/55/689894255.db2.gz VCFUFNITAWPFBA-JKSUJKDBSA-N 0 3 304.438 2.218 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001034555317 689898601 /nfs/dbraw/zinc/89/86/01/689898601.db2.gz ZNYHMKSCZUEHSY-CZUORRHYSA-N 0 3 318.465 2.297 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000876714386 689913288 /nfs/dbraw/zinc/91/32/88/689913288.db2.gz XAHLBBUNDOHVIQ-ZIAGYGMSSA-N 0 3 318.808 2.096 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000876722295 689915518 /nfs/dbraw/zinc/91/55/18/689915518.db2.gz ZCDTXOBBBNEXKY-CQSZACIVSA-N 0 3 322.840 2.158 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1nc2ccccc2n1C ZINC000876767134 689931431 /nfs/dbraw/zinc/93/14/31/689931431.db2.gz BYXAZCODGAJQQQ-GFCCVEGCSA-N 0 3 320.824 2.092 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034866555 689971941 /nfs/dbraw/zinc/97/19/41/689971941.db2.gz IFVYGTKDQRCGBF-VXGBXAGGSA-N 0 3 323.487 2.452 20 30 DEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@H](N)Cc1ccccc1 ZINC000877224016 690050355 /nfs/dbraw/zinc/05/03/55/690050355.db2.gz SECCPYATBFPKGJ-GOSISDBHSA-N 0 3 307.397 2.129 20 30 DEEDHN O=C(C#CC1CC1)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001035183279 690052626 /nfs/dbraw/zinc/05/26/26/690052626.db2.gz KKNDEWWUXSQBDS-XLUWADSXSA-N 0 3 306.837 2.467 20 30 DEEDHN COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2N(C)C)[C@@H]1C ZINC000877466011 690121113 /nfs/dbraw/zinc/12/11/13/690121113.db2.gz DLOBPAOHXHAXKB-DOMZBBRYSA-N 0 3 301.390 2.008 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc3c[nH]ccc-3n1)CC2 ZINC001035734628 690163898 /nfs/dbraw/zinc/16/38/98/690163898.db2.gz WNUOKAZHVXBESN-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc3cnccc3o1)CC2 ZINC001035743921 690165728 /nfs/dbraw/zinc/16/57/28/690165728.db2.gz VNPPIAHCKNUHJH-UHFFFAOYSA-N 0 3 323.396 2.389 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]1(C)CCO[C@H]1C)CC2 ZINC001035760250 690169535 /nfs/dbraw/zinc/16/95/35/690169535.db2.gz MPZQATCWRFRVRD-DOTOQJQBSA-N 0 3 306.450 2.302 20 30 DEEDHN COc1ccc(N2CC[C@@H](NCc3cccc(C#N)n3)C2)cc1 ZINC000877620475 690170027 /nfs/dbraw/zinc/17/00/27/690170027.db2.gz IPNNPQJZCOLOHM-MRXNPFEDSA-N 0 3 308.385 2.330 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1Cc3ccccc31)CC2 ZINC001035778462 690174022 /nfs/dbraw/zinc/17/40/22/690174022.db2.gz CONQCLISHIAARE-SFHVURJKSA-N 0 3 308.425 2.274 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)[C@@H]1CCCO1)CC2 ZINC001035791283 690177599 /nfs/dbraw/zinc/17/75/99/690177599.db2.gz JUSIWHMAOUVTAE-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)Cc1ccco1)CC2 ZINC001035814301 690183476 /nfs/dbraw/zinc/18/34/76/690183476.db2.gz KZGDEBLTQMMXMH-INIZCTEOSA-N 0 3 314.429 2.406 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CCCOC1)CC2 ZINC001035855079 690194123 /nfs/dbraw/zinc/19/41/23/690194123.db2.gz SPZAOZWYDQVAOW-INIZCTEOSA-N 0 3 306.450 2.304 20 30 DEEDHN CN(CCN1CC2(C1)CCOCC2)Cc1ccc(C#N)c(F)c1 ZINC000877765515 690219022 /nfs/dbraw/zinc/21/90/22/690219022.db2.gz BNPYEUHMBLIZAI-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC001036139358 690273388 /nfs/dbraw/zinc/27/33/88/690273388.db2.gz XZJISMYHUJXQAS-GXTWGEPZSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3ccn(C)n3)[C@@H](C)C2)C1 ZINC001036168590 690279970 /nfs/dbraw/zinc/27/99/70/690279970.db2.gz IFQVRHFVGVEJCC-HOCLYGCPSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CC[C@@H](C)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000878050049 690294605 /nfs/dbraw/zinc/29/46/05/690294605.db2.gz PQBZEXSBEFOUIZ-MRXNPFEDSA-N 0 3 307.482 2.360 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000878241343 690355463 /nfs/dbraw/zinc/35/54/63/690355463.db2.gz FOGDJEXNIADKRB-YESZJQIVSA-N 0 3 307.482 2.264 20 30 DEEDHN C=CC[C@@H](C)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000878395152 690395463 /nfs/dbraw/zinc/39/54/63/690395463.db2.gz WMSRRUADGQUNPA-HIFRSBDPSA-N 0 3 300.468 2.277 20 30 DEEDHN CC(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001036605278 690395695 /nfs/dbraw/zinc/39/56/95/690395695.db2.gz QXYGCZDGHUFXGC-YOEHRIQHSA-N 0 3 301.365 2.140 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4CC4)CC[C@H]32)s1 ZINC001036613805 690401538 /nfs/dbraw/zinc/40/15/38/690401538.db2.gz MMTGDWLNUZQHAJ-CZUORRHYSA-N 0 3 315.442 2.453 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H]1CCO)c1ccccc1 ZINC000878465931 690415705 /nfs/dbraw/zinc/41/57/05/690415705.db2.gz HXZSNIDVHVQXNV-ZWKOTPCHSA-N 0 3 300.402 2.274 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1 ZINC001036737708 690453439 /nfs/dbraw/zinc/45/34/39/690453439.db2.gz VJRLBRNYDQQSIF-GJZGRUSLSA-N 0 3 305.397 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccnn2C)C1 ZINC001036792539 690476567 /nfs/dbraw/zinc/47/65/67/690476567.db2.gz QYSYWQCFSPYZRN-GDBMZVCRSA-N 0 3 316.449 2.055 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H]2COC[C@@]2(C)C1)c1ccccc1 ZINC000878948764 690535414 /nfs/dbraw/zinc/53/54/14/690535414.db2.gz FTOQEIPYCIPPNT-GUDVDZBRSA-N 0 3 312.413 2.395 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCC[C@@H]1NC(=O)c1ccon1 ZINC001036957592 690541795 /nfs/dbraw/zinc/54/17/95/690541795.db2.gz XFBMCYFQOGGITI-HOTGVXAUSA-N 0 3 324.384 2.235 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](OC)CC[C@@H]1C ZINC000879320347 690618631 /nfs/dbraw/zinc/61/86/31/690618631.db2.gz HULOVROSCKUCQG-ZFWWWQNUSA-N 0 3 304.390 2.445 20 30 DEEDHN C#CCCN1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC000879605953 690686042 /nfs/dbraw/zinc/68/60/42/690686042.db2.gz PGHYYUOJRUIPJR-HUUCEWRRSA-N 0 3 317.433 2.191 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2CCCC2CCC2)[nH]1 ZINC001038171936 690730122 /nfs/dbraw/zinc/73/01/22/690730122.db2.gz CDPOWMIYOBGDOX-HNNXBMFYSA-N 0 3 300.406 2.271 20 30 DEEDHN CC1(C)CC(CN2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001038175926 690731543 /nfs/dbraw/zinc/73/15/43/690731543.db2.gz WNFPKBZSQLPPMS-OAHLLOKOSA-N 0 3 300.406 2.127 20 30 DEEDHN Cn1nnnc1C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000879917840 690753921 /nfs/dbraw/zinc/75/39/21/690753921.db2.gz XDIRPVGENIJGMV-UHFFFAOYSA-N 0 3 302.426 2.254 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ncn2cc(Cl)ccc12 ZINC001038270379 690763501 /nfs/dbraw/zinc/76/35/01/690763501.db2.gz XSOFVHYHICCZAM-CYBMUJFWSA-N 0 3 318.808 2.368 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001038321913 690779793 /nfs/dbraw/zinc/77/97/93/690779793.db2.gz OWNBLVQFHDSALG-CQSZACIVSA-N 0 3 316.401 2.228 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(OC)c(OC)c1C ZINC001038383196 690801097 /nfs/dbraw/zinc/80/10/97/690801097.db2.gz ZRDHWMDBENYPKL-CQSZACIVSA-N 0 3 318.417 2.392 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038567545 690862000 /nfs/dbraw/zinc/86/20/00/690862000.db2.gz OCSJSCNUYCVCFH-GFCCVEGCSA-N 0 3 310.829 2.152 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1CCCC1CCC1 ZINC001038714653 690903836 /nfs/dbraw/zinc/90/38/36/690903836.db2.gz RTVDUBNMKDUQKJ-BBWFWOEESA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C(C)C)[nH]c1=O ZINC001038772830 690921819 /nfs/dbraw/zinc/92/18/19/690921819.db2.gz FBMRPEOWOJZJSP-ZDUSSCGKSA-N 0 3 303.406 2.291 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@@H]2CCN2CCC(=C)C)cc1 ZINC001038779926 690924764 /nfs/dbraw/zinc/92/47/64/690924764.db2.gz XDSBBGIUMVSTPV-KRWDZBQOSA-N 0 3 312.413 2.469 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@H]2CCN2CC(CC)CC)nn1 ZINC001038790501 690927525 /nfs/dbraw/zinc/92/75/25/690927525.db2.gz RREYWXUCHPEOKO-OAHLLOKOSA-N 0 3 319.453 2.095 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038902196 690961662 /nfs/dbraw/zinc/96/16/62/690961662.db2.gz LDIWWTKCBSDMGU-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCCC2CCC2)nc1 ZINC001038931077 690969287 /nfs/dbraw/zinc/96/92/87/690969287.db2.gz KVVAANZDVDFZFE-KRWDZBQOSA-N 0 3 311.429 2.447 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001038960622 690978456 /nfs/dbraw/zinc/97/84/56/690978456.db2.gz JWXHPSVSANYZKU-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038987354 690984961 /nfs/dbraw/zinc/98/49/61/690984961.db2.gz SXXFJGMCHXLERS-OAHLLOKOSA-N 0 3 314.433 2.433 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001039113422 691023532 /nfs/dbraw/zinc/02/35/32/691023532.db2.gz QUWLRSMVGFKNHF-IUODEOHRSA-N 0 3 309.841 2.459 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccns2)C1 ZINC001039212684 691056600 /nfs/dbraw/zinc/05/66/00/691056600.db2.gz YLTMRWATYWQTLG-KBPBESRZSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cncs2)C1 ZINC001039215529 691057265 /nfs/dbraw/zinc/05/72/65/691057265.db2.gz UYZXICJZHOZGEZ-GDBMZVCRSA-N 0 3 317.458 2.022 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2onc(C)c2C)C1 ZINC001039220028 691057992 /nfs/dbraw/zinc/05/79/92/691057992.db2.gz WSHJJJBFLDRBKD-HOTGVXAUSA-N 0 3 315.417 2.241 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cscn2)C1 ZINC001039233867 691063165 /nfs/dbraw/zinc/06/31/65/691063165.db2.gz FNWRXERCDXYJNJ-ZBFHGGJFSA-N 0 3 317.458 2.022 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001039365302 691089979 /nfs/dbraw/zinc/08/99/79/691089979.db2.gz CPQQKXOEYHTZDC-KGLIPLIRSA-N 0 3 303.431 2.154 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001039376596 691092036 /nfs/dbraw/zinc/09/20/36/691092036.db2.gz BQRWLMVOZAHJHY-OWSLCNJRSA-N 0 3 318.461 2.136 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cc[nH]c2n1 ZINC001039390550 691095845 /nfs/dbraw/zinc/09/58/45/691095845.db2.gz TUQZBDQWEJOEOO-CVEARBPZSA-N 0 3 322.412 2.265 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001039412808 691100998 /nfs/dbraw/zinc/10/09/98/691100998.db2.gz AFDDGWGZQCHCLC-IKGGRYGDSA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCC)[nH]n1 ZINC001039414374 691101566 /nfs/dbraw/zinc/10/15/66/691101566.db2.gz YGMBWJUATTYIPJ-CVEARBPZSA-N 0 3 314.433 2.064 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(CC)c1 ZINC001039458120 691110375 /nfs/dbraw/zinc/11/03/75/691110375.db2.gz GOYUHPOIKCLHFF-SJORKVTESA-N 0 3 316.449 2.087 20 30 DEEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1conc1COC ZINC001039459786 691111006 /nfs/dbraw/zinc/11/10/06/691111006.db2.gz MZFPHXCDOYBEFK-KGLIPLIRSA-N 0 3 319.405 2.076 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)cc1 ZINC001039463610 691112218 /nfs/dbraw/zinc/11/22/18/691112218.db2.gz YMWOWRTTWJCAMO-SJORKVTESA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccnc(OC)c3)C2)C1 ZINC001040275229 691224088 /nfs/dbraw/zinc/22/40/88/691224088.db2.gz JRHJTEWUFMNSGV-SFHVURJKSA-N 0 3 315.417 2.204 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cc(OCC)no3)C2)C1 ZINC001040297963 691227447 /nfs/dbraw/zinc/22/74/47/691227447.db2.gz URVAHAYHWVYZJN-QGZVFWFLSA-N 0 3 319.405 2.187 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001040352006 691233658 /nfs/dbraw/zinc/23/36/58/691233658.db2.gz YBGFSIJXSAFQHY-FAJBIJEISA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3ocnc3CC)C2)C1 ZINC001040382820 691239693 /nfs/dbraw/zinc/23/96/93/691239693.db2.gz CZVFEMUQCYVPNK-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(C(C)(F)F)CC3)C2)C1 ZINC001040399295 691241957 /nfs/dbraw/zinc/24/19/57/691241957.db2.gz MXEHHCWVVUWOLZ-MRXNPFEDSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)C1 ZINC001040443660 691248558 /nfs/dbraw/zinc/24/85/58/691248558.db2.gz KIMFIWALSHGMLZ-SCTDSRPQSA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cnn(C(F)F)c3)C2)C1 ZINC001040470602 691252760 /nfs/dbraw/zinc/25/27/60/691252760.db2.gz MCMRHRHEJRFLNE-INIZCTEOSA-N 0 3 324.375 2.392 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cn(CC)cn3)C2)C1 ZINC001040496432 691256574 /nfs/dbraw/zinc/25/65/74/691256574.db2.gz ILERVOITGXDVEY-QGZVFWFLSA-N 0 3 302.422 2.017 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)C1 ZINC001040550726 691264290 /nfs/dbraw/zinc/26/42/90/691264290.db2.gz DMYQYFSYACNGGT-IACFOHHFSA-N 0 3 312.457 2.226 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3ccoc3Cl)C2)CC1 ZINC001040680880 691279067 /nfs/dbraw/zinc/27/90/67/691279067.db2.gz JHHZHIOVBONZNU-UHFFFAOYSA-N 0 3 306.793 2.494 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)c3ccncc3C)C2)CC1 ZINC001040694275 691280009 /nfs/dbraw/zinc/28/00/09/691280009.db2.gz DQUABNMMGPQANL-UHFFFAOYSA-N 0 3 311.429 2.341 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)Cc3cncs3)C2)CC1 ZINC001040738330 691283969 /nfs/dbraw/zinc/28/39/69/691283969.db2.gz KTMYPJXANYUHMU-UHFFFAOYSA-N 0 3 317.458 2.023 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001040780094 691286742 /nfs/dbraw/zinc/28/67/42/691286742.db2.gz SBVJJGCIBDQGGX-IRXDYDNUSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)c3cccnc3)C2)CC1 ZINC001040914202 691298720 /nfs/dbraw/zinc/29/87/20/691298720.db2.gz LROLFQDVHXJHCL-INIZCTEOSA-N 0 3 311.429 2.133 20 30 DEEDHN C[C@]12CN(CC3CCC(C#N)CC3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000931615653 694440667 /nfs/dbraw/zinc/44/06/67/694440667.db2.gz TVUTYMDXLRUXRE-STONLHKKSA-N 0 3 310.463 2.073 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3scnc3C)C2)C1 ZINC001041106528 691327376 /nfs/dbraw/zinc/32/73/76/691327376.db2.gz ZNZCINHUTLCZBK-MRXNPFEDSA-N 0 3 303.431 2.013 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CCc3ccoc3)C2)C1 ZINC001041197491 691342568 /nfs/dbraw/zinc/34/25/68/691342568.db2.gz ALZXCBLNHJFZCC-GOSISDBHSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc4cc(C)cn4c3)C2)C1 ZINC001041350915 691365927 /nfs/dbraw/zinc/36/59/27/691365927.db2.gz YCMBPMYGKYTJAM-FQEVSTJZSA-N 0 3 321.424 2.419 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cccc4c3O[C@H](C)C4)C2)C1 ZINC001041483497 691382747 /nfs/dbraw/zinc/38/27/47/691382747.db2.gz RFDWQBFHRRLGEY-QRWLVFNGSA-N 0 3 324.424 2.181 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3coc(C(F)F)c3)C2)C1 ZINC001041604410 691400067 /nfs/dbraw/zinc/40/00/67/691400067.db2.gz CULSZYCATAJTSC-MRXNPFEDSA-N 0 3 308.328 2.388 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc43)C2)C1 ZINC001041616086 691401491 /nfs/dbraw/zinc/40/14/91/691401491.db2.gz KSJRHEVMGHESFK-AZUAARDMSA-N 0 3 308.425 2.274 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)c3ccsc3)C2)C1 ZINC001041669471 691407604 /nfs/dbraw/zinc/40/76/04/691407604.db2.gz TULDMFVSKOFZFV-RHSMWYFYSA-N 0 3 302.443 2.409 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cnc4ccccc4c3)C2)C1 ZINC001041713286 691414573 /nfs/dbraw/zinc/41/45/73/691414573.db2.gz GLNLEJGFOPWZOI-FQEVSTJZSA-N 0 3 319.408 2.406 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC001041716209 691415156 /nfs/dbraw/zinc/41/51/56/691415156.db2.gz QEGCXYQNIOWHLJ-QAPCUYQASA-N 0 3 316.470 2.484 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3ncccc3Cl)C2)C1 ZINC001041796676 691433274 /nfs/dbraw/zinc/43/32/74/691433274.db2.gz WBTWBUMDBNGRJO-QGZVFWFLSA-N 0 3 317.820 2.296 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3sccc3OC)C2)C1 ZINC001041797237 691433615 /nfs/dbraw/zinc/43/36/15/691433615.db2.gz MTOAHWZBELONBQ-QGZVFWFLSA-N 0 3 318.442 2.318 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](OC)C3CCCC3)C2)C1 ZINC001041809772 691436269 /nfs/dbraw/zinc/43/62/69/691436269.db2.gz QWJPMOQCYYPZGP-IEBWSBKVSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)Cc3ccccc3F)C2)C1 ZINC001041815011 691437573 /nfs/dbraw/zinc/43/75/73/691437573.db2.gz UPHYLAMONQUKMB-LJQANCHMSA-N 0 3 314.404 2.316 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc(F)cc(F)c3)C2)C1 ZINC001041818819 691438482 /nfs/dbraw/zinc/43/84/82/691438482.db2.gz USCSXAIFYKWXSH-KRWDZBQOSA-N 0 3 304.340 2.136 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)n3c(C)ccc3C)C2)C1 ZINC001041844419 691443741 /nfs/dbraw/zinc/44/37/41/691443741.db2.gz HSANRDXJRJNANE-MJGOQNOKSA-N 0 3 313.445 2.224 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)C1 ZINC001041851086 691446254 /nfs/dbraw/zinc/44/62/54/691446254.db2.gz APBUMRJCHZRCGA-IACFOHHFSA-N 0 3 312.457 2.226 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3csc(C4CC4)n3)C2)C1 ZINC001041853939 691446835 /nfs/dbraw/zinc/44/68/35/691446835.db2.gz UFXLMJUUWZMPNC-KRWDZBQOSA-N 0 3 315.442 2.192 20 30 DEEDHN C=CCC[C@H](COc1ccccc1)N[C@@H](C)C(=O)N(C)OC ZINC000883240333 691464044 /nfs/dbraw/zinc/46/40/44/691464044.db2.gz PGLGHMAEKMQFAV-LSDHHAIUSA-N 0 3 306.406 2.398 20 30 DEEDHN C#CCOc1ccc(CNC[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883367502 691491168 /nfs/dbraw/zinc/49/11/68/691491168.db2.gz QTNFUKLCGYRGAP-LBPRGKRZSA-N 0 3 323.261 2.347 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C(C)C)n(C)n3)C[C@@H]21 ZINC001042050038 691493594 /nfs/dbraw/zinc/49/35/94/691493594.db2.gz FISPBOLJIHRKSD-YOEHRIQHSA-N 0 3 316.449 2.266 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(c4ccccn4)CC3)C[C@@H]21 ZINC001042063328 691495613 /nfs/dbraw/zinc/49/56/13/691495613.db2.gz UXMZZPFBSIUMSU-CVEARBPZSA-N 0 3 311.429 2.222 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn(C4CCC4)c3)C[C@H]21 ZINC001042063550 691495855 /nfs/dbraw/zinc/49/58/55/691495855.db2.gz YZMIOACCUKKARJ-WMLDXEAASA-N 0 3 314.433 2.331 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3c(Cl)cnn3C)C[C@H]21 ZINC001042064959 691496337 /nfs/dbraw/zinc/49/63/37/691496337.db2.gz MFUWJSVXNBDJET-TZMCWYRMSA-N 0 3 322.840 2.186 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3cc(C)nc(C)c3)C[C@@H]21 ZINC001042076497 691500724 /nfs/dbraw/zinc/50/07/24/691500724.db2.gz UULQBBKOXOUBDG-WMZOPIPTSA-N 0 3 311.429 2.258 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3scnc3CC)C[C@H]21 ZINC001042088326 691504425 /nfs/dbraw/zinc/50/44/25/691504425.db2.gz PLXGZFCPDKBNFU-UKRRQHHQSA-N 0 3 317.458 2.265 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3n[nH]c(CC)c3Cl)C[C@H]21 ZINC001042095002 691506273 /nfs/dbraw/zinc/50/62/73/691506273.db2.gz FHEYDPUCAIAPSF-DGCLKSJQSA-N 0 3 322.840 2.348 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C[C@@H]21 ZINC001042094548 691506403 /nfs/dbraw/zinc/50/64/03/691506403.db2.gz TUYVCTKXAZRBBU-KDOFPFPSSA-N 0 3 322.412 2.352 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)c3cccc4cccnc43)C[C@H]21 ZINC001042137438 691518026 /nfs/dbraw/zinc/51/80/26/691518026.db2.gz GDOXHDFNCFQGOE-CRAIPNDOSA-N 0 3 319.408 2.404 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3nc(C)n4ccccc34)C[C@H]21 ZINC001042152102 691522459 /nfs/dbraw/zinc/52/24/59/691522459.db2.gz FLSMWLOPEJJHKU-NVXWUHKLSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)Cc3sc(C)nc3C)C[C@@H]21 ZINC001042159932 691526112 /nfs/dbraw/zinc/52/61/12/691526112.db2.gz IITPMIHUJPHTIC-GJZGRUSLSA-N 0 3 319.474 2.411 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 ZINC001042167165 691527468 /nfs/dbraw/zinc/52/74/68/691527468.db2.gz IZFZBKVEKXFRJN-WFASDCNBSA-N 0 3 301.390 2.274 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C[C@H]21 ZINC001042226916 691539988 /nfs/dbraw/zinc/53/99/88/691539988.db2.gz GLSQDAQZCOFQHG-GXTWGEPZSA-N 0 3 305.809 2.228 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccn(C)c3CC)C[C@H]21 ZINC001042234948 691543125 /nfs/dbraw/zinc/54/31/25/691543125.db2.gz PSHMFALDHUBCEF-MAUKXSAKSA-N 0 3 313.445 2.147 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3csc4cncn43)C[C@@H]21 ZINC001042256805 691549984 /nfs/dbraw/zinc/54/99/84/691549984.db2.gz ZWUJHHDTCSBJNQ-STQMWFEESA-N 0 3 316.430 2.118 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)C[C@@H]21 ZINC001042282754 691556411 /nfs/dbraw/zinc/55/64/11/691556411.db2.gz FXGPHABTNOBRLX-PBHICJAKSA-N 0 3 322.412 2.123 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc4nccnc43)C[C@@H]21 ZINC001042288299 691558088 /nfs/dbraw/zinc/55/80/88/691558088.db2.gz RSRFEXMUXBBOKN-PBHICJAKSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn(CC(C)C)c3)C[C@H]21 ZINC001042291002 691558990 /nfs/dbraw/zinc/55/89/90/691558990.db2.gz VNOMNDMNLMMVQU-DOTOQJQBSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn(CC(C)C)c3)C[C@@H]21 ZINC001042291005 691559342 /nfs/dbraw/zinc/55/93/42/691559342.db2.gz VNOMNDMNLMMVQU-RDJZCZTQSA-N 0 3 316.449 2.262 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C[C@@H]21 ZINC001042297529 691560700 /nfs/dbraw/zinc/56/07/00/691560700.db2.gz QBZJYTRCJQXXKC-DOMZBBRYSA-N 0 3 300.406 2.010 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CC(F)(F)C3)C[C@@H]21 ZINC001042308970 691565091 /nfs/dbraw/zinc/56/50/91/691565091.db2.gz IMNRTBAOXHMOKR-KGLIPLIRSA-N 0 3 310.388 2.368 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC[C@@H]2CCN(CC#CC)[C@@H]2C1 ZINC001042325108 691570230 /nfs/dbraw/zinc/57/02/30/691570230.db2.gz DFMCRGMDXQHMOP-AZUAARDMSA-N 0 3 320.436 2.157 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)COc3ccccc3)C[C@H]21 ZINC001042334883 691573635 /nfs/dbraw/zinc/57/36/35/691573635.db2.gz HZBMZPYJZLJMDI-SJLPKXTDSA-N 0 3 312.413 2.012 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@H]21 ZINC001042383648 691586794 /nfs/dbraw/zinc/58/67/94/691586794.db2.gz VUZHZNSBSFTAEN-WMLDXEAASA-N 0 3 316.449 2.095 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC3C[C@@H]4CC1C[C@H](C3)C4)C2 ZINC000884101090 691654760 /nfs/dbraw/zinc/65/47/60/691654760.db2.gz OKFGUVHSFXHORB-KYECLUQDSA-N 0 3 313.445 2.163 20 30 DEEDHN 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312.413 2.469 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2ccc3c(c2)CCN3C)CC1 ZINC001045614509 692005412 /nfs/dbraw/zinc/00/54/12/692005412.db2.gz KEIFFYWYXRNCMH-UHFFFAOYSA-N 0 3 313.445 2.449 20 30 DEEDHN CCNC(=O)OC[C@H]1CCCCN1C[C@H](O)CC1(C#N)CCC1 ZINC000886201904 692022782 /nfs/dbraw/zinc/02/27/82/692022782.db2.gz VWUIMTOVFVUPTA-HUUCEWRRSA-N 0 3 323.437 2.032 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2nc3ccc(OC)cc3s2)C1 ZINC000886210883 692024321 /nfs/dbraw/zinc/02/43/21/692024321.db2.gz DNCZFDWSOACDDY-CYBMUJFWSA-N 0 3 315.442 2.492 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cccnc1)C2 ZINC001045909076 692046833 /nfs/dbraw/zinc/04/68/33/692046833.db2.gz MROBLRCNBIKFOS-IBGZPJMESA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ccnc(F)c1)C2 ZINC001045922083 692051967 /nfs/dbraw/zinc/05/19/67/692051967.db2.gz YNPGSRYCHOHXHA-SFHVURJKSA-N 0 3 315.392 2.172 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccns1)C2 ZINC001045943101 692059080 /nfs/dbraw/zinc/05/90/80/692059080.db2.gz 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3 308.385 2.204 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)C2CC2)C2CC2)c(F)c1 ZINC001392754341 1157388986 /nfs/dbraw/zinc/38/89/86/1157388986.db2.gz DCGGZDPYBDTPJV-INIZCTEOSA-N 0 3 301.365 2.092 20 30 DEEDHN CCc1nc(C)c(CNC[C@](C)(NC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001373874842 1157425769 /nfs/dbraw/zinc/42/57/69/1157425769.db2.gz MONIERCSCKKYBT-GTNSWQLSSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cn2cccn2)CCCC[C@@H]1C ZINC001373895362 1157442855 /nfs/dbraw/zinc/44/28/55/1157442855.db2.gz JBOXUTXQXJCDER-XJKSGUPXSA-N 0 3 324.856 2.290 20 30 DEEDHN N#Cc1cc(C(=O)NCC2(NC/C=C\c3ccccc3)CC2)c[nH]1 ZINC001392902444 1157530901 /nfs/dbraw/zinc/53/09/01/1157530901.db2.gz OYYAIQNRNOFNQD-DAXSKMNVSA-N 0 3 320.396 2.452 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001403449754 1162886332 /nfs/dbraw/zinc/88/63/32/1162886332.db2.gz YVNJYMHVCWJEHN-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001403464140 1162890914 /nfs/dbraw/zinc/89/09/14/1162890914.db2.gz REGSSUYRUXFUSB-JOCQHMNTSA-N 0 3 323.824 2.478 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001374330558 1157815008 /nfs/dbraw/zinc/81/50/08/1157815008.db2.gz QIKICOSGNRIITL-GDBMZVCRSA-N 0 3 323.868 2.478 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1cncs1)C1CCCCC1 ZINC001374357756 1157825590 /nfs/dbraw/zinc/82/55/90/1157825590.db2.gz JFFYULCSEHPNIS-IUODEOHRSA-N 0 3 320.462 2.457 20 30 DEEDHN CC(C)[C@H](CNC(=O)C(F)F)NCc1ccc(C#N)cc1F ZINC001374406208 1157842162 /nfs/dbraw/zinc/84/21/62/1157842162.db2.gz QTIQLUVHRWVPTM-ZDUSSCGKSA-N 0 3 313.323 2.193 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccns1 ZINC001374764663 1158012818 /nfs/dbraw/zinc/01/28/18/1158012818.db2.gz ZGDZCKLOGNCVAM-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2cncs2)C1 ZINC001393899792 1158054508 /nfs/dbraw/zinc/05/45/08/1158054508.db2.gz DMTVJSCJDMUPJF-UHFFFAOYSA-N 0 3 313.854 2.313 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1CC(F)(F)C1 ZINC001374879012 1158071736 /nfs/dbraw/zinc/07/17/36/1158071736.db2.gz PINGYZRESRVRDG-VIFPVBQESA-N 0 3 313.373 2.259 20 30 DEEDHN CC(C)OCCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001375395872 1158566435 /nfs/dbraw/zinc/56/64/35/1158566435.db2.gz GGNYUCQOKJJIMV-UHFFFAOYSA-N 0 3 315.417 2.112 20 30 DEEDHN Cc1noc(C)c1CNC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001394811386 1158800493 /nfs/dbraw/zinc/80/04/93/1158800493.db2.gz NFTPERUBSDWAGS-HZMBPMFUSA-N 0 3 306.410 2.072 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@@H]1CC12CC2)NCc1ccc(F)c(C#N)c1 ZINC001403584147 1163022007 /nfs/dbraw/zinc/02/20/07/1163022007.db2.gz HTVJUTZZNQISCM-WFASDCNBSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H](C)CSC)C1 ZINC001376362169 1159361533 /nfs/dbraw/zinc/36/15/33/1159361533.db2.gz GHUAZOBJKSBFAB-FBIMIBRVSA-N 0 3 321.284 2.131 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)CCCF)C2)c1 ZINC001376470118 1159453131 /nfs/dbraw/zinc/45/31/31/1159453131.db2.gz AQTDOUUGXGZNSM-OKILXGFUSA-N 0 3 307.344 2.184 20 30 DEEDHN C[C@H](CNC(=O)CCc1ccco1)NCc1ccc(C#N)s1 ZINC001376688331 1159680912 /nfs/dbraw/zinc/68/09/12/1159680912.db2.gz BQEPDVUBHSIULP-GFCCVEGCSA-N 0 3 317.414 2.440 20 30 DEEDHN CN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccc2c(c1)CCC2 ZINC001377142482 1159971759 /nfs/dbraw/zinc/97/17/59/1159971759.db2.gz UTWXHVXCRUOYIY-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)[C@@H]2CCCO2)C1 ZINC001397097655 1159981870 /nfs/dbraw/zinc/98/18/70/1159981870.db2.gz KVZVZNYMVMMYOA-MHEUCROKSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1ccco1 ZINC001377385323 1160312382 /nfs/dbraw/zinc/31/23/82/1160312382.db2.gz LMMRHTDRZPOLRX-JTQLQIEISA-N 0 3 301.184 2.286 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cnsn1 ZINC001398196598 1160812375 /nfs/dbraw/zinc/81/23/75/1160812375.db2.gz SVJSZTQCWVQZJE-ZYHUDNBSSA-N 0 3 314.842 2.263 20 30 DEEDHN CC[C@H](F)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001399387206 1161373422 /nfs/dbraw/zinc/37/34/22/1161373422.db2.gz OSIPKJBWKQMNBI-FZMZJTMJSA-N 0 3 309.360 2.430 20 30 DEEDHN COc1cc(CN(CCNC(=O)[C@H](C)C#N)C2CC2)ccc1C ZINC001400000989 1161629911 /nfs/dbraw/zinc/62/99/11/1161629911.db2.gz YYPWNVQDIPSTAU-CQSZACIVSA-N 0 3 315.417 2.244 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C(C)(F)F ZINC001401197886 1161892082 /nfs/dbraw/zinc/89/20/82/1161892082.db2.gz KLQVXDVKNVSTFJ-SNVBAGLBSA-N 0 3 313.323 2.289 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C(C)C ZINC001401346776 1161940472 /nfs/dbraw/zinc/94/04/72/1161940472.db2.gz SOOFPSLPSDEGGH-FZMZJTMJSA-N 0 3 312.845 2.071 20 30 DEEDHN CC(C)C(=O)N[C@@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001401826425 1162146049 /nfs/dbraw/zinc/14/60/49/1162146049.db2.gz IXPRYNNJUYPQKD-INIZCTEOSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC001404125523 1163468377 /nfs/dbraw/zinc/46/83/77/1163468377.db2.gz AFBUDZAKQHIMIL-UHFFFAOYSA-N 0 3 324.856 2.483 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)C#N)NCc1cc(C)ccc1OC ZINC001405189392 1164004038 /nfs/dbraw/zinc/00/40/38/1164004038.db2.gz LEKQKOOHKGAPDM-ZFWWWQNUSA-N 0 3 303.406 2.148 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](OC)C1CC1)NCc1ccc(C#N)s1 ZINC001405216433 1164017285 /nfs/dbraw/zinc/01/72/85/1164017285.db2.gz IAZXFEQGBFKNTJ-IUODEOHRSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)c2cnn(C)c2)CCCC1 ZINC001405419164 1164082062 /nfs/dbraw/zinc/08/20/62/1164082062.db2.gz GRGXGNGEZJMOFC-ZDUSSCGKSA-N 0 3 324.856 2.295 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)c1ccc[nH]1 ZINC001405797878 1164246126 /nfs/dbraw/zinc/24/61/26/1164246126.db2.gz NDVQVVZGORVLQJ-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)CCc1c[nH]cn1)C1CCCC1 ZINC001407154808 1165009579 /nfs/dbraw/zinc/00/95/79/1165009579.db2.gz YEFGDBXQOGBWBI-HNNXBMFYSA-N 0 3 324.856 2.359 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CC2CCOCC2)C1 ZINC001417804572 1167224425 /nfs/dbraw/zinc/22/44/25/1167224425.db2.gz QSVWYQRFJIPUTR-LSDHHAIUSA-N 0 3 314.857 2.430 20 30 DEEDHN CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001418017956 1167363530 /nfs/dbraw/zinc/36/35/30/1167363530.db2.gz BZJYVISWQDSVGV-KGLIPLIRSA-N 0 3 320.412 2.418 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001418629936 1167852424 /nfs/dbraw/zinc/85/24/24/1167852424.db2.gz LCHJTOIMQBCOSP-AWEZNQCLSA-N 0 3 315.889 2.297 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001418818749 1167985123 /nfs/dbraw/zinc/98/51/23/1167985123.db2.gz WDLSJGYLHMOMEX-MEBBXXQBSA-N 0 3 307.344 2.160 20 30 DEEDHN CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001419313227 1168392353 /nfs/dbraw/zinc/39/23/53/1168392353.db2.gz CRSAXUKOWRZNBM-HSBHDXMMSA-N 0 3 320.824 2.423 20 30 DEEDHN CC[C@H](F)C(=O)N(C)[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001419708219 1168812860 /nfs/dbraw/zinc/81/28/60/1168812860.db2.gz UJDOFKNSSADQGQ-DOMZBBRYSA-N 0 3 321.396 2.251 20 30 DEEDHN COCCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001420014851 1169064542 /nfs/dbraw/zinc/06/45/42/1169064542.db2.gz IUQKVOHNIIXDFT-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CCC(OC)CC1 ZINC001420129125 1169181990 /nfs/dbraw/zinc/18/19/90/1169181990.db2.gz LYWKETOLBBGSRW-IYXRBSQSSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@@H](CNCc1ccccc1Cl)NC(=O)c1ccc(C#N)[nH]1 ZINC001420409906 1169497076 /nfs/dbraw/zinc/49/70/76/1169497076.db2.gz SGRMWNDMAKUVIH-NSHDSACASA-N 0 3 316.792 2.448 20 30 DEEDHN Cc1cccnc1CN1CCC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421285207 1171674454 /nfs/dbraw/zinc/67/44/54/1171674454.db2.gz WLFODLRDAZYIRN-YJBOKZPZSA-N 0 3 314.433 2.268 20 30 DEEDHN Cc1cnc([C@H](C)NCC2(NC(=O)[C@H](C)C#N)CCCC2)cn1 ZINC001421505979 1171825926 /nfs/dbraw/zinc/82/59/26/1171825926.db2.gz KMZLVJCRAANWLO-OCCSQVGLSA-N 0 3 315.421 2.024 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CC[C@H]2CCOC2)C1 ZINC001422264515 1172448352 /nfs/dbraw/zinc/44/83/52/1172448352.db2.gz NFTBLLVQXMGNEV-HSBZDZAISA-N 0 3 300.830 2.040 20 30 DEEDHN Cc1ncsc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001422478016 1172627731 /nfs/dbraw/zinc/62/77/31/1172627731.db2.gz RDQFYAIEKVCEEG-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)c1ccc(C#N)[nH]1 ZINC001422483783 1172635762 /nfs/dbraw/zinc/63/57/62/1172635762.db2.gz MYRJPPCLVDXXMR-NEPJUHHUSA-N 0 3 314.364 2.495 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001422804522 1172871786 /nfs/dbraw/zinc/87/17/86/1172871786.db2.gz VBYZYZRYUIZKMO-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001422906716 1172914842 /nfs/dbraw/zinc/91/48/42/1172914842.db2.gz WFPMWZNFHXYHJH-CQDKDKBSSA-N 0 3 324.856 2.065 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001422918748 1172934212 /nfs/dbraw/zinc/93/42/12/1172934212.db2.gz TZJRLIIYFVMBNY-XUXIUFHCSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001422988330 1173001500 /nfs/dbraw/zinc/00/15/00/1173001500.db2.gz YVXRWECLQSBVAF-IAQYHMDHSA-N 0 3 324.856 2.167 20 30 DEEDHN CC1(CNC(=O)c2ccc(C#N)[nH]2)CCN(C/C=C/Cl)CC1 ZINC001423664912 1173476029 /nfs/dbraw/zinc/47/60/29/1173476029.db2.gz BJIYXGHVZSDKKH-FARCUNLSSA-N 0 3 320.824 2.471 20 30 DEEDHN CC1(CNC(=O)c2cc(C#N)c[nH]2)CCN(C/C=C\Cl)CC1 ZINC001423665323 1173476929 /nfs/dbraw/zinc/47/69/29/1173476929.db2.gz DUQSBAUAVMDQKW-DJWKRKHSSA-N 0 3 320.824 2.471 20 30 DEEDHN C[C@@H](NCc1ccccc1F)[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001424769878 1173915540 /nfs/dbraw/zinc/91/55/40/1173915540.db2.gz YUEUJLYGPWCYID-VXGBXAGGSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001425422827 1174315251 /nfs/dbraw/zinc/31/52/51/1174315251.db2.gz XZGOHYJGFXJMLK-CTYIDZIISA-N 0 3 324.856 2.390 20 30 DEEDHN N#Cc1cccc(C#N)c1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001434447133 1178566575 /nfs/dbraw/zinc/56/65/75/1178566575.db2.gz PPPCGLHNWUARKB-KRWDZBQOSA-N 0 3 304.353 2.286 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001436769774 1179231357 /nfs/dbraw/zinc/23/13/57/1179231357.db2.gz PRWYNEMCZPENDH-QMTHXVAHSA-N 0 3 323.487 2.356 20 30 DEEDHN C[C@H](CNC(=O)C1(CF)CCC1)NCc1ccc(C#N)c(F)c1 ZINC001437203424 1179573757 /nfs/dbraw/zinc/57/37/57/1179573757.db2.gz KWHNUONIUPQBNJ-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn(C)nc1C1CC1 ZINC001437374483 1179771246 /nfs/dbraw/zinc/77/12/46/1179771246.db2.gz CNZWANVTLLYFMM-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN C[C@H](CCNC(=O)c1nccs1)NCc1ccccc1C#N ZINC001437410881 1179794353 /nfs/dbraw/zinc/79/43/53/1179794353.db2.gz SSZKMLMTYDWSJM-GFCCVEGCSA-N 0 3 314.414 2.313 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ccn[nH]2)CCCC[C@H]1C ZINC001438430252 1180415841 /nfs/dbraw/zinc/41/58/41/1180415841.db2.gz RVVRVGWPRFILNJ-IAQYHMDHSA-N 0 3 310.829 2.431 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccn[nH]2)CCCC[C@H]1C ZINC001438430251 1180416443 /nfs/dbraw/zinc/41/64/43/1180416443.db2.gz RVVRVGWPRFILNJ-ABAIWWIYSA-N 0 3 310.829 2.431 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)CCC(F)F ZINC001438506251 1180509997 /nfs/dbraw/zinc/50/99/97/1180509997.db2.gz GKUODBCXNPXBAL-LBPRGKRZSA-N 0 3 309.360 2.445 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H](C)n1cccc1 ZINC001439108378 1180885655 /nfs/dbraw/zinc/88/56/55/1180885655.db2.gz HDROFKPFOUJAJC-CHWSQXEVSA-N 0 3 316.430 2.277 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2cncs2)CC(C)(C)C1 ZINC001440537859 1181588213 /nfs/dbraw/zinc/58/82/13/1181588213.db2.gz REYGGNXXLMHKII-STQMWFEESA-N 0 3 320.462 2.410 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1n[nH]c2ccccc12 ZINC001440678801 1181638487 /nfs/dbraw/zinc/63/84/87/1181638487.db2.gz VYYURAYGQMKQHB-LBPRGKRZSA-N 0 3 320.824 2.342 20 30 DEEDHN COCCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440733950 1181663401 /nfs/dbraw/zinc/66/34/01/1181663401.db2.gz WNWIFVXVEBGWTP-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C[C@@H](NCC=C(Cl)Cl)[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001440783143 1181689519 /nfs/dbraw/zinc/68/95/19/1181689519.db2.gz MSKJZWFESXXZKI-RKDXNWHRSA-N 0 3 315.204 2.302 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ncc3ccccn32)C1 ZINC001441359820 1181956553 /nfs/dbraw/zinc/95/65/53/1181956553.db2.gz ZNZLEUFBZSJPQT-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN Cc1nc(CN[C@H](CCNC(=O)[C@@H](C)C#N)C(C)C)c(C)o1 ZINC001441400518 1181976981 /nfs/dbraw/zinc/97/69/81/1181976981.db2.gz IUEIBYDYTYHQKY-SMDDNHRTSA-N 0 3 306.410 2.072 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cc[nH]c1)NCc1ccc(F)c(C#N)c1 ZINC001441537394 1182046979 /nfs/dbraw/zinc/04/69/79/1182046979.db2.gz RLSBQVFXLVXTOB-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CC(C)SCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441771915 1182153566 /nfs/dbraw/zinc/15/35/66/1182153566.db2.gz WSNCGVKUADYULD-GFCCVEGCSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccccc1OC ZINC001442342448 1182427668 /nfs/dbraw/zinc/42/76/68/1182427668.db2.gz VKPVGHSMSQCEOT-ZDUSSCGKSA-N 0 3 310.825 2.475 20 30 DEEDHN CC[C@H](F)CN(C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001443322087 1182927038 /nfs/dbraw/zinc/92/70/38/1182927038.db2.gz UTZNKPGMKCFLHK-JSGCOSHPSA-N 0 3 306.385 2.028 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnc2n[nH]cc2c1)C(C)C ZINC001444894711 1183626194 /nfs/dbraw/zinc/62/61/94/1183626194.db2.gz QLGRRXGZXFNXAZ-CYBMUJFWSA-N 0 3 321.812 2.054 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CCC1CC1 ZINC001445533864 1183894616 /nfs/dbraw/zinc/89/46/16/1183894616.db2.gz KZSCVYFCLHNAGA-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN COCC1(CC(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001445546711 1183897766 /nfs/dbraw/zinc/89/77/66/1183897766.db2.gz LOEXZGHUFRIUCM-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CN(C)CCOC1CCCCCC1 ZINC001445690142 1183984284 /nfs/dbraw/zinc/98/42/84/1183984284.db2.gz RKWMDLZWCQMPOH-HUUCEWRRSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001445936242 1184137749 /nfs/dbraw/zinc/13/77/49/1184137749.db2.gz 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DILWYTLHNXLYJF-RCCFBDPRSA-N 0 3 314.429 2.456 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c3ccccc3nn2C)[C@H]1CC ZINC001087784275 779452018 /nfs/dbraw/zinc/45/20/18/779452018.db2.gz WHWGGAWQWTZVDM-JKSUJKDBSA-N 0 3 312.417 2.342 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cncnc2C(C)C)[C@H]1CC ZINC001087831982 779472894 /nfs/dbraw/zinc/47/28/94/779472894.db2.gz PBVPTNZMPIDXDQ-JKSUJKDBSA-N 0 3 314.433 2.206 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4nc(C)oc4c3)C[C@@H]2C1 ZINC001088001899 779627468 /nfs/dbraw/zinc/62/74/68/779627468.db2.gz GVJVCEVUADKQRU-CVEARBPZSA-N 0 3 323.396 2.163 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@@H]2C1 ZINC001088054853 779660469 /nfs/dbraw/zinc/66/04/69/779660469.db2.gz YUIOARAPCVRAGA-ZBFHGGJFSA-N 0 3 312.413 2.186 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](F)c3ccccc3)C[C@@H]2C1 ZINC001088122317 779713424 /nfs/dbraw/zinc/71/34/24/779713424.db2.gz WYDGLJVEFSTBSI-IXDOHACOSA-N 0 3 300.377 2.111 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088131901 779718506 /nfs/dbraw/zinc/71/85/06/779718506.db2.gz NJTWWWLVSLFKDP-HCXYKTFWSA-N 0 3 308.425 2.204 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3C)C[C@@H]2C1 ZINC001088177176 779759291 /nfs/dbraw/zinc/75/92/91/779759291.db2.gz IUFCFHFYFDATAD-CABCVRRESA-N 0 3 300.377 2.161 20 30 DEEDHN Cc1oncc1CN[C@@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088281085 779901665 /nfs/dbraw/zinc/90/16/65/779901665.db2.gz HMCMDUUTHJHNQD-SWLSCSKDSA-N 0 3 304.394 2.004 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2csc(C)c2C)C1 ZINC001073620363 790746950 /nfs/dbraw/zinc/74/69/50/790746950.db2.gz CFYRLHVIXBSOEV-HNNXBMFYSA-N 0 3 320.458 2.209 20 30 DEEDHN Cc1oncc1CN[C@@H]1CCCCCN(C(=O)C#CC2CC2)C1 ZINC001088313208 779936565 /nfs/dbraw/zinc/93/65/65/779936565.db2.gz REYVHJYVFXWJNF-QGZVFWFLSA-N 0 3 315.417 2.257 20 30 DEEDHN N#Cc1cncc(CN2CCC3(CC2)OC(=O)c2ncccc23)c1 ZINC001144083646 790749087 /nfs/dbraw/zinc/74/90/87/790749087.db2.gz MLYASOXJPJWXNO-UHFFFAOYSA-N 0 3 320.352 2.010 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001073636767 790760485 /nfs/dbraw/zinc/76/04/85/790760485.db2.gz HBWOABIYYYPOAQ-INIZCTEOSA-N 0 3 317.433 2.041 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001073720159 790814160 /nfs/dbraw/zinc/81/41/60/790814160.db2.gz ZFXRFQYDUUAYMV-CQSZACIVSA-N 0 3 324.446 2.154 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4cccn4cn3)[C@@H]2C1 ZINC001075936102 780690132 /nfs/dbraw/zinc/69/01/32/780690132.db2.gz PXHYSXWBZNZKCG-WMLDXEAASA-N 0 3 310.401 2.057 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccncc2OC(C)C)[C@H]1C ZINC001088769505 780969038 /nfs/dbraw/zinc/96/90/38/780969038.db2.gz OJBVEROPLRHPAE-ZBFHGGJFSA-N 0 3 315.417 2.085 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001083483140 780976484 /nfs/dbraw/zinc/97/64/84/780976484.db2.gz JSZZMUQIKXUQHW-BBWFWOEESA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2c(C)noc2C)[C@H]1C ZINC001088807591 781017638 /nfs/dbraw/zinc/01/76/38/781017638.db2.gz PDHLRMMLUOLRBX-HIFRSBDPSA-N 0 3 317.433 2.171 20 30 DEEDHN C=C(C)CCN1C[C@@H]2CCN(C(=O)c3snnc3CC)[C@@H]2C1 ZINC001076007167 781062101 /nfs/dbraw/zinc/06/21/01/781062101.db2.gz KZWTZTQOQDRZDP-GXTWGEPZSA-N 0 3 320.462 2.213 20 30 DEEDHN CCCCCCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102543623 781079987 /nfs/dbraw/zinc/07/99/87/781079987.db2.gz HJXYNPOJELGHAC-IAGOWNOFSA-N 0 3 308.466 2.291 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c(C)noc3C)[C@@H]2C1 ZINC001076334267 781217725 /nfs/dbraw/zinc/21/77/25/781217725.db2.gz STRJWDYYJWPTOF-ISTRZQFTSA-N 0 3 317.433 2.189 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)[C@@H]2C1 ZINC001076364788 781234647 /nfs/dbraw/zinc/23/46/47/781234647.db2.gz RQUWXJIBMWJEPF-UHOFOFEASA-N 0 3 316.449 2.239 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001073784126 790869319 /nfs/dbraw/zinc/86/93/19/790869319.db2.gz VSLDNPAWILZZIX-SFHVURJKSA-N 0 3 312.413 2.174 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001076525150 781295291 /nfs/dbraw/zinc/29/52/91/781295291.db2.gz YGISRJDCWBOBPY-DOTOQJQBSA-N 0 3 302.393 2.477 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)[C@@H]2C1 ZINC001076538956 781303857 /nfs/dbraw/zinc/30/38/57/781303857.db2.gz QJXNCLGBLFRLAG-BLLLJJGKSA-N 0 3 304.340 2.134 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cccc(Cl)c3)[C@@H]2C1 ZINC001076547842 781309826 /nfs/dbraw/zinc/30/98/26/781309826.db2.gz OMBSUGDTZIXQDI-XJKSGUPXSA-N 0 3 320.820 2.438 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC001091087579 790906732 /nfs/dbraw/zinc/90/67/32/790906732.db2.gz RGNWKQLQGIEEPF-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H](C)COC)C1 ZINC001112110637 781847783 /nfs/dbraw/zinc/84/77/83/781847783.db2.gz ZCNVRRLDIKJWNE-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccccc2OC)C1 ZINC001073866720 790925172 /nfs/dbraw/zinc/92/51/72/790925172.db2.gz COZKIUJEEHDVKS-HNNXBMFYSA-N 0 3 318.417 2.092 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)C[C@@H]1C ZINC000947885992 783257719 /nfs/dbraw/zinc/25/77/19/783257719.db2.gz FBQMJNPVKURGQT-GJZGRUSLSA-N 0 3 314.404 2.460 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2OC)C[C@@H]1C ZINC000947971461 783280665 /nfs/dbraw/zinc/28/06/65/783280665.db2.gz NCWVKPXOAFAJHY-UONOGXRCSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(OC)cccc2OC)C[C@H]1C ZINC000947970718 783280822 /nfs/dbraw/zinc/28/08/22/783280822.db2.gz AOGGTIFUDIAOEW-ZIAGYGMSSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2cncn2c1 ZINC001089671272 783341697 /nfs/dbraw/zinc/34/16/97/783341697.db2.gz NBGVAKKPXLMJLC-QGZVFWFLSA-N 0 3 324.428 2.188 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001089696386 783360818 /nfs/dbraw/zinc/36/08/18/783360818.db2.gz AKPMASLJWJCUAO-AWEZNQCLSA-N 0 3 304.438 2.433 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001089725960 783390320 /nfs/dbraw/zinc/39/03/20/783390320.db2.gz INTADMZXQDIHFS-CYBMUJFWSA-N 0 3 315.421 2.069 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001089730370 783394803 /nfs/dbraw/zinc/39/48/03/783394803.db2.gz ZFRPSOZQBNQDCX-AWEZNQCLSA-N 0 3 303.406 2.194 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CSC ZINC001089766338 783418144 /nfs/dbraw/zinc/41/81/44/783418144.db2.gz MSHGJSNEZRAERM-FQUUOJAGSA-N 0 3 314.882 2.271 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2c(C)ccn2C)CC1 ZINC000948330891 783429285 /nfs/dbraw/zinc/42/92/85/783429285.db2.gz VZKDGRGZWRKCHH-INIZCTEOSA-N 0 3 301.434 2.283 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2ccc(F)cc2F)CC1 ZINC000948386105 783448273 /nfs/dbraw/zinc/44/82/73/783448273.db2.gz SQMDMRFWUZSNEO-INIZCTEOSA-N 0 3 320.383 2.453 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnn3ccc(C)cc23)CC1 ZINC000948457207 783474096 /nfs/dbraw/zinc/47/40/96/783474096.db2.gz UJOUWRDXKURYFF-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2nc(C)sc2C)CC1 ZINC000948547117 783496138 /nfs/dbraw/zinc/49/61/38/783496138.db2.gz QSIBCINEJLINDS-OAHLLOKOSA-N 0 3 319.474 2.249 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nccc3occc32)CC1 ZINC000948639452 783544805 /nfs/dbraw/zinc/54/48/05/783544805.db2.gz VTJCIASYWJBCHZ-AWEZNQCLSA-N 0 3 311.385 2.388 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000966102516 783562927 /nfs/dbraw/zinc/56/29/27/783562927.db2.gz JBJFREMEILSXFN-CVEARBPZSA-N 0 3 307.482 2.264 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1cncnc1 ZINC001085307996 783633453 /nfs/dbraw/zinc/63/34/53/783633453.db2.gz XZVDTUDHRRXCQX-NWANDNLSSA-N 0 3 322.840 2.350 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC000967033978 783864518 /nfs/dbraw/zinc/86/45/18/783864518.db2.gz QPRMXIVTRABBPA-PBHICJAKSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000967125802 783890821 /nfs/dbraw/zinc/89/08/21/783890821.db2.gz WQCNFEZYQWACDU-GOEBONIOSA-N 0 3 316.449 2.102 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c2c(nn1C)CCCC2 ZINC001085620198 783891359 /nfs/dbraw/zinc/89/13/59/783891359.db2.gz IRXNTNJQXSDZTP-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001085626524 783908755 /nfs/dbraw/zinc/90/87/55/783908755.db2.gz OPVOCNKOQVVJEW-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1CCC ZINC001085694011 783979606 /nfs/dbraw/zinc/97/96/06/783979606.db2.gz VJWBROHOHNHTEJ-AWEZNQCLSA-N 0 3 304.438 2.095 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC000967410162 783987514 /nfs/dbraw/zinc/98/75/14/783987514.db2.gz ZIDVTDKIGLVTCZ-DOTOQJQBSA-N 0 3 324.428 2.106 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](C)CC(F)(F)F ZINC001154987305 783999492 /nfs/dbraw/zinc/99/94/92/783999492.db2.gz MLKNASKUSXYQHH-QWHCGFSZSA-N 0 3 322.371 2.051 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721448 784008631 /nfs/dbraw/zinc/00/86/31/784008631.db2.gz WGEAQEPPJSXNPC-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)[nH]c1=O ZINC001085751205 784043259 /nfs/dbraw/zinc/04/32/59/784043259.db2.gz ZXWYYAJVUJGJCR-CQSZACIVSA-N 0 3 303.406 2.126 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nn(C)c2c1CCCC2 ZINC001085829786 784117088 /nfs/dbraw/zinc/11/70/88/784117088.db2.gz HAUNHVJOBBAVGJ-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1csc2cncn21 ZINC001085850574 784142395 /nfs/dbraw/zinc/14/23/95/784142395.db2.gz ZZORCHCQDROABJ-GFCCVEGCSA-N 0 3 304.419 2.118 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001085865203 784159686 /nfs/dbraw/zinc/15/96/86/784159686.db2.gz WEYZASCINHMJCM-ULQDDVLXSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccn2ccnc12 ZINC001085873342 784163305 /nfs/dbraw/zinc/16/33/05/784163305.db2.gz WTLTYHCECITSEJ-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN Cc1ccc(CN[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(Cl)c1 ZINC000967976163 784193313 /nfs/dbraw/zinc/19/33/13/784193313.db2.gz SXZNGEGRHFIYIV-TZMCWYRMSA-N 0 3 305.809 2.499 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnccc1N(C)C ZINC001085930305 784228678 /nfs/dbraw/zinc/22/86/78/784228678.db2.gz TVFNXEOARVEJAF-OAHLLOKOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968332938 784296505 /nfs/dbraw/zinc/29/65/05/784296505.db2.gz ZIWZTJIHAAGMIF-TZMCWYRMSA-N 0 3 324.856 2.019 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001086016144 784323919 /nfs/dbraw/zinc/32/39/19/784323919.db2.gz MNWVLHKNMGBWQT-OHBODLIOSA-N 0 3 301.228 2.035 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001086016705 784330777 /nfs/dbraw/zinc/33/07/77/784330777.db2.gz DMBXZSZUOSEAHS-YUDUHTQSSA-N 0 3 315.392 2.338 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2OC)C1 ZINC000968580395 784477069 /nfs/dbraw/zinc/47/70/69/784477069.db2.gz VRWTZAHRKRRIBU-GDBMZVCRSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC000968582690 784477762 /nfs/dbraw/zinc/47/77/62/784477762.db2.gz BOUNMEIBCFCGRF-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000968588018 784481341 /nfs/dbraw/zinc/48/13/41/784481341.db2.gz JISOPUMGSWNHKQ-CRAIPNDOSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000968598288 784488580 /nfs/dbraw/zinc/48/85/80/784488580.db2.gz CBXYEZCZAIIMCP-RDTXWAMCSA-N 0 3 311.429 2.423 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2noc3c2CCCC3)C1 ZINC001086207942 784489409 /nfs/dbraw/zinc/48/94/09/784489409.db2.gz RLAFXVBPSVFXIC-TXEJJXNPSA-N 0 3 323.824 2.404 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC000968633174 784511853 /nfs/dbraw/zinc/51/18/53/784511853.db2.gz VXJBBSAAEWWRET-CXAGYDPISA-N 0 3 301.434 2.105 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC000968656192 784525391 /nfs/dbraw/zinc/52/53/91/784525391.db2.gz XZXKZLWAISLGQN-YOEHRIQHSA-N 0 3 301.434 2.335 20 30 DEEDHN COCCCN1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171222942 791032506 /nfs/dbraw/zinc/03/25/06/791032506.db2.gz JXSCLMSQMQYADV-MRXNPFEDSA-N 0 3 301.434 2.143 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001066462514 784528631 /nfs/dbraw/zinc/52/86/31/784528631.db2.gz HPGWGBCHPYJDBH-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN CC1(C(=O)N2CC[C@@H](NCc3ccc(C#N)c(F)c3)C2)CC1 ZINC000968755360 784574686 /nfs/dbraw/zinc/57/46/86/784574686.db2.gz MTDGCILJICVRQU-CQSZACIVSA-N 0 3 301.365 2.188 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC000968873799 784630878 /nfs/dbraw/zinc/63/08/78/784630878.db2.gz DHSMHUOTYAHXSA-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC000968884979 784636183 /nfs/dbraw/zinc/63/61/83/784636183.db2.gz IJMQQXVUKBTIQP-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001086384921 784641106 /nfs/dbraw/zinc/64/11/06/784641106.db2.gz IYODTOGYUMDBID-KBUPBQIOSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC000968944246 784663099 /nfs/dbraw/zinc/66/30/99/784663099.db2.gz IIJRVRCZMYKCIS-HNNXBMFYSA-N 0 3 318.417 2.424 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000968955489 784669291 /nfs/dbraw/zinc/66/92/91/784669291.db2.gz XGWDAFNSHVMZJF-KURKYZTESA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccnc1OC ZINC000969010875 784688456 /nfs/dbraw/zinc/68/84/56/784688456.db2.gz GHYMMCBQUHVTBM-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969037986 784699165 /nfs/dbraw/zinc/69/91/65/784699165.db2.gz QVOGHBVHDTXNBF-ARFHVFGLSA-N 0 3 316.449 2.070 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001086438922 784735039 /nfs/dbraw/zinc/73/50/39/784735039.db2.gz KEWBPQGMVWSSOH-JOCQHMNTSA-N 0 3 310.829 2.315 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001086460047 784752040 /nfs/dbraw/zinc/75/20/40/784752040.db2.gz GCXWFJDJXDNTFI-BPLDGKMQSA-N 0 3 319.836 2.348 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(=O)[nH]c1C)C2 ZINC001098445560 784806390 /nfs/dbraw/zinc/80/63/90/784806390.db2.gz IFWVVIBOVCCYHR-KFWWJZLASA-N 0 3 315.417 2.315 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001086515752 784821277 /nfs/dbraw/zinc/82/12/77/784821277.db2.gz RNFIWIBCYGXFTG-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(CCC)on2)C1 ZINC001086522907 784847050 /nfs/dbraw/zinc/84/70/50/784847050.db2.gz PUYRDDNSKOCKDY-HAQNSBGRSA-N 0 3 311.813 2.478 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001007460012 784926614 /nfs/dbraw/zinc/92/66/14/784926614.db2.gz RFDIRPYOJQLMET-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001007468848 784927590 /nfs/dbraw/zinc/92/75/90/784927590.db2.gz LCWGLWYEURYJFS-ZDUSSCGKSA-N 0 3 321.396 2.390 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001007595218 784957171 /nfs/dbraw/zinc/95/71/71/784957171.db2.gz KRQXPAWSYIEVGB-OAHLLOKOSA-N 0 3 304.438 2.083 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001007634559 784964807 /nfs/dbraw/zinc/96/48/07/784964807.db2.gz IFFFEXXPQCVXTK-AWEZNQCLSA-N 0 3 307.463 2.459 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C)nc3sccn32)C1 ZINC001007647725 784968077 /nfs/dbraw/zinc/96/80/77/784968077.db2.gz CHCAGSXMHPGVIU-CYBMUJFWSA-N 0 3 318.446 2.475 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001007860939 785028997 /nfs/dbraw/zinc/02/89/97/785028997.db2.gz CKAWMZPOOULXRE-CQSZACIVSA-N 0 3 304.390 2.027 20 30 DEEDHN C[C@H](C(=O)NCCCNCc1cc(C#N)ccc1F)C1CC1 ZINC001156250222 785039489 /nfs/dbraw/zinc/03/94/89/785039489.db2.gz RGGUJSUADAXQMH-LBPRGKRZSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CC(=NCOC)NC1CCN(c2ncccc2Cl)CC1 ZINC001169166061 785077893 /nfs/dbraw/zinc/07/78/93/785077893.db2.gz PTWJMBBMYDTAFG-UHFFFAOYSA-N 0 3 308.813 2.482 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001008164729 785124421 /nfs/dbraw/zinc/12/44/21/785124421.db2.gz SRDJBAVYWRUDII-CQSZACIVSA-N 0 3 313.873 2.194 20 30 DEEDHN CO[C@H](C)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001169500463 785216308 /nfs/dbraw/zinc/21/63/08/785216308.db2.gz PWXOYVXCVPRMTR-LSDHHAIUSA-N 0 3 317.433 2.358 20 30 DEEDHN CCO[C@H](CC(=O)NCCNCc1cccc(C#N)c1)C(C)C ZINC001129336134 785226411 /nfs/dbraw/zinc/22/64/11/785226411.db2.gz ZPRIOIPIWQGWPO-QGZVFWFLSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(CC)ncnc2CC)C1 ZINC001008567625 785240490 /nfs/dbraw/zinc/24/04/90/785240490.db2.gz CKFOHEZXODHMAO-CQSZACIVSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001008626558 785253644 /nfs/dbraw/zinc/25/36/44/785253644.db2.gz DRWGWEWBINWSOG-CYBMUJFWSA-N 0 3 314.389 2.440 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001008680611 785272337 /nfs/dbraw/zinc/27/23/37/785272337.db2.gz QGWXWIRCAZQGAA-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001008712134 785282804 /nfs/dbraw/zinc/28/28/04/785282804.db2.gz XSCVKTLPZRLTIU-GOSISDBHSA-N 0 3 323.440 2.280 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1cncc(OC)n1 ZINC001169706065 785315696 /nfs/dbraw/zinc/31/56/96/785315696.db2.gz PTXDZTLTXWOOED-AWEZNQCLSA-N 0 3 320.437 2.216 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCN[C@@H](C)c1nnc(C)[nH]1 ZINC001169706590 785317262 /nfs/dbraw/zinc/31/72/62/785317262.db2.gz TVQRHTNFJFTQEP-STQMWFEESA-N 0 3 307.442 2.405 20 30 DEEDHN N#Cc1cncc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001169747471 785334580 /nfs/dbraw/zinc/33/45/80/785334580.db2.gz XQYKAOOQTQALED-SFHVURJKSA-N 0 3 320.396 2.348 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001009048005 785371501 /nfs/dbraw/zinc/37/15/01/785371501.db2.gz ZUKXZIIGKKSLRQ-UONOGXRCSA-N 0 3 316.449 2.305 20 30 DEEDHN Cc1cnc(CNCCCC[C@H](C)NC(=O)[C@H](C)C#N)s1 ZINC001169849435 785387886 /nfs/dbraw/zinc/38/78/86/785387886.db2.gz WPVWBTJCGCLNPI-NEPJUHHUSA-N 0 3 308.451 2.376 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109212394 785758511 /nfs/dbraw/zinc/75/85/11/785758511.db2.gz CVTHGZAKVGTSJG-VUHPKUFZSA-N 0 3 314.429 2.235 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2CCN([C@H]3CCc4ccccc43)C2)c[nH]1 ZINC001010687719 785897199 /nfs/dbraw/zinc/89/71/99/785897199.db2.gz HHRYTZWTASDRPW-YJBOKZPZSA-N 0 3 320.396 2.378 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)CCC1 ZINC001109683552 785986115 /nfs/dbraw/zinc/98/61/15/785986115.db2.gz QUPNNPQJMRUBJD-FZKCQIBNSA-N 0 3 306.450 2.489 20 30 DEEDHN CN1CCC[C@@H]2CN(c3nc(Cl)c(C#N)cc3C#N)C[C@@H]21 ZINC001157264304 786217503 /nfs/dbraw/zinc/21/75/03/786217503.db2.gz FAGDGZBRLLNKQJ-MFKMUULPSA-N 0 3 301.781 2.009 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001112965465 786332786 /nfs/dbraw/zinc/33/27/86/786332786.db2.gz JUVRMKRVXBITGK-KRWDZBQOSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cnccc2C)CC1 ZINC001112976958 786344308 /nfs/dbraw/zinc/34/43/08/786344308.db2.gz DXPZXASZAPOYOY-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001112982496 786348881 /nfs/dbraw/zinc/34/88/81/786348881.db2.gz SFGRRIUSSRGATH-RRFJBIMHSA-N 0 3 302.422 2.012 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC001113063624 786386840 /nfs/dbraw/zinc/38/68/40/786386840.db2.gz KPNGRLZURPXZSH-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(CCO)C[C@@H](F)CC)CC1 ZINC001098464868 786416445 /nfs/dbraw/zinc/41/64/45/786416445.db2.gz KEZRMSSCPMAEQY-HNNXBMFYSA-N 0 3 314.445 2.376 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC001113155474 786419949 /nfs/dbraw/zinc/41/99/49/786419949.db2.gz QYSCPNIZMLJADK-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2cc(C)on2)CC1 ZINC001113335977 786531444 /nfs/dbraw/zinc/53/14/44/786531444.db2.gz YVAQKTAFSOGXSA-AWEZNQCLSA-N 0 3 305.422 2.415 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001014396054 786568587 /nfs/dbraw/zinc/56/85/87/786568587.db2.gz KLTFWVIPBXYPII-ZDUSSCGKSA-N 0 3 314.389 2.060 20 30 DEEDHN C=CCCCN1CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)CC1 ZINC001113429022 786590394 /nfs/dbraw/zinc/59/03/94/786590394.db2.gz FWTBYMDBCCRSJQ-UHFFFAOYSA-N 0 3 316.327 2.153 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001014779548 786751550 /nfs/dbraw/zinc/75/15/50/786751550.db2.gz MBLNLCKZIKIQSX-NVXWUHKLSA-N 0 3 313.445 2.377 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001015014178 786858189 /nfs/dbraw/zinc/85/81/89/786858189.db2.gz LHNGRZSXDSBSAV-CYBMUJFWSA-N 0 3 313.376 2.443 20 30 DEEDHN CCOC(=O)[C@H](C#N)Nc1ccc(CN2CCCC[C@@H]2C)cn1 ZINC001170369108 786925051 /nfs/dbraw/zinc/92/50/51/786925051.db2.gz RMRDGCKFIKKGSG-ZFWWWQNUSA-N 0 3 316.405 2.323 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCCCN[C@@H](C)c1nnc(C)[nH]1 ZINC001170425368 787023437 /nfs/dbraw/zinc/02/34/37/787023437.db2.gz MGKOFWNVNGITTP-KGLIPLIRSA-N 0 3 319.453 2.242 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001015437828 787052458 /nfs/dbraw/zinc/05/24/58/787052458.db2.gz IDNYSQNSCQLUCY-VIFPVBQESA-N 0 3 300.189 2.149 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2sccc2-n2cccc2)C1 ZINC001015454302 787059384 /nfs/dbraw/zinc/05/93/84/787059384.db2.gz BVKAEYCGZIILCU-CQSZACIVSA-N 0 3 313.426 2.366 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001114237081 787175849 /nfs/dbraw/zinc/17/58/49/787175849.db2.gz GGSOIXDVCNJSEK-KXTWHKPSSA-N 0 3 322.452 2.381 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001086626302 787262723 /nfs/dbraw/zinc/26/27/23/787262723.db2.gz GKVJRMBTDOFKDF-ZWKOTPCHSA-N 0 3 324.428 2.043 20 30 DEEDHN C=C(C)CN1CC[C@H](Oc2cnccc2CNC(=O)CC)C1 ZINC001130309600 787341596 /nfs/dbraw/zinc/34/15/96/787341596.db2.gz VZUIIJLEZSBVSY-HNNXBMFYSA-N 0 3 303.406 2.137 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccncc1O[C@H]1CCN(CC)C1 ZINC001130323914 787346290 /nfs/dbraw/zinc/34/62/90/787346290.db2.gz XNWSDWLYAYKHQG-HNNXBMFYSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C(CC)CC)C1 ZINC001130345303 787353500 /nfs/dbraw/zinc/35/35/00/787353500.db2.gz JEEBLGSCIRIWSB-CQSZACIVSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)/C(C)=C\CC)C1 ZINC001130355244 787358918 /nfs/dbraw/zinc/35/89/18/787358918.db2.gz LBVWXNJYYLWIMQ-CNTYAEFGSA-N 0 3 302.422 2.358 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)Cc2ccccc2)ccc1F ZINC001130355130 787359144 /nfs/dbraw/zinc/35/91/44/787359144.db2.gz KGJTZJSCBSWEDZ-UHFFFAOYSA-N 0 3 311.360 2.146 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(CCF)CC2)C1 ZINC001130405973 787378414 /nfs/dbraw/zinc/37/84/14/787378414.db2.gz SYPMIGZBLFMEIU-ZDUSSCGKSA-N 0 3 320.412 2.141 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)C(C)C)C1 ZINC001130431473 787390359 /nfs/dbraw/zinc/39/03/59/787390359.db2.gz YGKQKXAJTBQIBA-UONOGXRCSA-N 0 3 304.438 2.293 20 30 DEEDHN CCOC(=O)C1=C(Nc2cc(C#N)cc3[nH]ccc32)CCNC1 ZINC001170521496 787498375 /nfs/dbraw/zinc/49/83/75/787498375.db2.gz WDKOIKCVUOXYDO-UHFFFAOYSA-N 0 3 310.357 2.262 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(CC)nc1C)C2 ZINC001096287920 787603711 /nfs/dbraw/zinc/60/37/11/787603711.db2.gz GHIVEQVHHVYAAR-RDBSUJKOSA-N 0 3 303.406 2.457 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1C(C)(C)C)C2 ZINC001096312854 787607563 /nfs/dbraw/zinc/60/75/63/787607563.db2.gz UEBQILQCPRDEGO-SNPRPXQTSA-N 0 3 314.433 2.066 20 30 DEEDHN C[C@H](CC(F)F)C(=O)NCCNCc1ccc(C#N)s1 ZINC001131450570 787624923 /nfs/dbraw/zinc/62/49/23/787624923.db2.gz ZWFIVSGFQFBLBV-SECBINFHSA-N 0 3 301.362 2.117 20 30 DEEDHN C[C@H](Nc1cccc(C2(C#N)CCOCC2)c1)[C@@H]1CNCCO1 ZINC001170568320 787646518 /nfs/dbraw/zinc/64/65/18/787646518.db2.gz GNPPDUCEBQHIFM-YOEHRIQHSA-N 0 3 315.417 2.047 20 30 DEEDHN Cc1cnc(C(=O)NCCNCc2ccc(C#N)s2)cc1C ZINC001131604048 787658873 /nfs/dbraw/zinc/65/88/73/787658873.db2.gz MOINJYNGNMCKJP-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C[C@@H](Nc1ccc(C#C[Si](C)(C)C)nc1)[C@H]1CNCCO1 ZINC001170574248 787663040 /nfs/dbraw/zinc/66/30/40/787663040.db2.gz MMTVLPQCPKPHDO-CZUORRHYSA-N 0 3 303.482 2.099 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C\C(C)(C)C)C[C@H](C)O2 ZINC001131645711 787670004 /nfs/dbraw/zinc/67/00/04/787670004.db2.gz KFXJZXBQAWBEDN-JCRZBSBLSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C(C)=C/CC)C[C@H](C)O2 ZINC001131652023 787673881 /nfs/dbraw/zinc/67/38/81/787673881.db2.gz FBWICMWDBIDRHV-KXQRRBCJSA-N 0 3 304.434 2.058 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c[nH]nc3c1)C2 ZINC001096458372 787675540 /nfs/dbraw/zinc/67/55/40/787675540.db2.gz HRCQJDKMXPQLJP-NJAFHUGGSA-N 0 3 324.428 2.403 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)Cc2cccs2)CC[C@@H]1C ZINC001131761711 787730528 /nfs/dbraw/zinc/73/05/28/787730528.db2.gz SIAAAXONYZECNQ-LSDHHAIUSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C\c2ccco2)CC[C@H]1C ZINC001131788700 787734724 /nfs/dbraw/zinc/73/47/24/787734724.db2.gz WWNXKMKCTUTGOL-NKIGNDQYSA-N 0 3 318.417 2.465 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2occ3c2CCC3)cc1 ZINC001131851337 787772138 /nfs/dbraw/zinc/77/21/38/787772138.db2.gz PJERJLHYXQIDQQ-UHFFFAOYSA-N 0 3 309.369 2.160 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)COC2CCCC2)CC[C@H]1C ZINC001131855713 787773952 /nfs/dbraw/zinc/77/39/52/787773952.db2.gz AWHUITLQAHJYHH-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001132105233 787932925 /nfs/dbraw/zinc/93/29/25/787932925.db2.gz CZAGVUDOHGKNHO-HZPDHXFCSA-N 0 3 319.449 2.293 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3oc(C)nc3c1)C2 ZINC001097300355 788051598 /nfs/dbraw/zinc/05/15/98/788051598.db2.gz NXCYUYUBRGROFX-INMHGKMJSA-N 0 3 323.396 2.495 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CC(C)=C(C)C ZINC001132466972 788089984 /nfs/dbraw/zinc/08/99/84/788089984.db2.gz RKSMNYSYHLUWNZ-MRXNPFEDSA-N 0 3 323.481 2.252 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCc2nc(CC)no2)CC[C@H]1C ZINC001132485834 788098646 /nfs/dbraw/zinc/09/86/46/788098646.db2.gz KBXNJVLBLCDFBF-ZIAGYGMSSA-N 0 3 320.437 2.110 20 30 DEEDHN C[C@@]1(C(=O)NCCNCc2ccc(F)c(C#N)c2)C=CCC1 ZINC001132502054 788101787 /nfs/dbraw/zinc/10/17/87/788101787.db2.gz GWNQRGFBFPEFKF-QGZVFWFLSA-N 0 3 301.365 2.259 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2cccc(F)c2)CC[C@@H]1C ZINC001132489543 788102663 /nfs/dbraw/zinc/10/26/63/788102663.db2.gz LNKZUVQHOTWGMK-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCn2cc(Cl)cn2)CC[C@H]1C ZINC001132504358 788107702 /nfs/dbraw/zinc/10/77/02/788107702.db2.gz HXCDSEFZAOTQLK-HIFRSBDPSA-N 0 3 324.856 2.472 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCn2cc(Cl)cn2)CC[C@H]1C ZINC001132504359 788107744 /nfs/dbraw/zinc/10/77/44/788107744.db2.gz HXCDSEFZAOTQLK-UKRRQHHQSA-N 0 3 324.856 2.472 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132568623 788133755 /nfs/dbraw/zinc/13/37/55/788133755.db2.gz AWXHUNSMRPKYDU-QWHCGFSZSA-N 0 3 303.381 2.361 20 30 DEEDHN CC1(C)CC[C@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132632244 788150966 /nfs/dbraw/zinc/15/09/66/788150966.db2.gz NNKHKEKTYRQUAG-AWEZNQCLSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001132663256 788158503 /nfs/dbraw/zinc/15/85/03/788158503.db2.gz SQGXUSYCKTVGPC-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001132667103 788160029 /nfs/dbraw/zinc/16/00/29/788160029.db2.gz CRTWOTXNKGSLEM-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001132667757 788161273 /nfs/dbraw/zinc/16/12/73/788161273.db2.gz RMHUHMIKIPRWCJ-XJKSGUPXSA-N 0 3 308.397 2.167 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1CN(C)C)C2 ZINC001097734454 788205381 /nfs/dbraw/zinc/20/53/81/788205381.db2.gz MJUBXSVGVZDWIR-OAGGEKHMSA-N 0 3 317.433 2.252 20 30 DEEDHN Cc1nnc([C@@H](C)NCCCC[C@H](C)NC(=O)C#CC(C)C)[nH]1 ZINC001170649838 788277028 /nfs/dbraw/zinc/27/70/28/788277028.db2.gz VYYYAWGZUYPNHU-UONOGXRCSA-N 0 3 319.453 2.098 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC001133124718 788288412 /nfs/dbraw/zinc/28/84/12/788288412.db2.gz GDQZJGBJQCNOFU-GOSISDBHSA-N 0 3 305.381 2.104 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)COC3)C2 ZINC001098026232 788340876 /nfs/dbraw/zinc/34/08/76/788340876.db2.gz NYBAYKLTYNNWNM-KURKYZTESA-N 0 3 310.397 2.075 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccc3nonc3c2)CCC1 ZINC001133395775 788401234 /nfs/dbraw/zinc/40/12/34/788401234.db2.gz ZXJWRVFINGVCHZ-UHFFFAOYSA-N 0 3 314.389 2.175 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNCc2cccc(NC(C)=O)c2)C1 ZINC001133569775 788491625 /nfs/dbraw/zinc/49/16/25/788491625.db2.gz BNAFMRPMTCJBDD-UHFFFAOYSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNC[C@H](O)c2ccc(F)cc2F)C1 ZINC001133571614 788494420 /nfs/dbraw/zinc/49/44/20/788494420.db2.gz VHCJVTFJWBEPSK-HNNXBMFYSA-N 0 3 324.371 2.060 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)c1ccco1 ZINC001133727961 788580871 /nfs/dbraw/zinc/58/08/71/788580871.db2.gz MSHIYZHVHQEYQZ-GFCCVEGCSA-N 0 3 315.348 2.300 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001133908650 788667123 /nfs/dbraw/zinc/66/71/23/788667123.db2.gz AESZITLZMCFHKG-NEPJUHHUSA-N 0 3 311.451 2.027 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)C(C)(F)F ZINC001133968028 788697153 /nfs/dbraw/zinc/69/71/53/788697153.db2.gz KTQIATBTXGDKJH-JTQLQIEISA-N 0 3 313.323 2.194 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1snnc1C ZINC001134118429 788769437 /nfs/dbraw/zinc/76/94/37/788769437.db2.gz BTSRZWSLDHOTQP-STQMWFEESA-N 0 3 322.478 2.413 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)CCC=C(C)C ZINC001134191078 788797701 /nfs/dbraw/zinc/79/77/01/788797701.db2.gz XTNILPVABSJTGO-JKSUJKDBSA-N 0 3 323.481 2.156 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(Cl)n1C ZINC001134201618 788812099 /nfs/dbraw/zinc/81/20/99/788812099.db2.gz RGLJMOORGLNEFR-QWHCGFSZSA-N 0 3 324.856 2.250 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc3c(c2)CCO3)c1 ZINC001134220059 788814461 /nfs/dbraw/zinc/81/44/61/788814461.db2.gz DZZRLKUWIPLAFV-UHFFFAOYSA-N 0 3 321.380 2.013 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)C2Cc3ccccc3C2)c1 ZINC001134269152 788834962 /nfs/dbraw/zinc/83/49/62/788834962.db2.gz BIMFPBJDQVCNRQ-UHFFFAOYSA-N 0 3 319.408 2.179 20 30 DEEDHN Cc1ncoc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328220 788872505 /nfs/dbraw/zinc/87/25/05/788872505.db2.gz AAZKYNYJEKUURJ-OLZOCXBDSA-N 0 3 305.422 2.405 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)C#CC1CC1 ZINC001134326607 788872985 /nfs/dbraw/zinc/87/29/85/788872985.db2.gz SOYCADQSOVCQHR-VXGBXAGGSA-N 0 3 313.239 2.181 20 30 DEEDHN C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134408490 788915993 /nfs/dbraw/zinc/91/59/93/788915993.db2.gz MWGLHBOQJXZOPW-RYUDHWBXSA-N 0 3 301.394 2.021 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccnc1C ZINC001135230785 789260241 /nfs/dbraw/zinc/26/02/41/789260241.db2.gz RKKQQTQIRXCSLK-GJZGRUSLSA-N 0 3 316.449 2.352 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001070395991 789307954 /nfs/dbraw/zinc/30/79/54/789307954.db2.gz DFEKNTXSEQQADR-HUUCEWRRSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001070421357 789321303 /nfs/dbraw/zinc/32/13/03/789321303.db2.gz IGLRNMBQKCYNTQ-BYNSBNAKSA-N 0 3 314.433 2.047 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071053927 789507970 /nfs/dbraw/zinc/50/79/70/789507970.db2.gz QOMNWFWEYPFMRC-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC1CC1)C[C@@H](C)O2 ZINC001071147132 789559002 /nfs/dbraw/zinc/55/90/02/789559002.db2.gz OKMLWRYSGFJJTP-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](O)C1 ZINC001090525705 789560140 /nfs/dbraw/zinc/56/01/40/789560140.db2.gz MUWFQTJXFLNLPP-IRXDYDNUSA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)Cc1ccoc1)C[C@H](C)O2 ZINC001071159726 789566106 /nfs/dbraw/zinc/56/61/06/789566106.db2.gz QLEFCZJEUQCUMZ-MAUKXSAKSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@@H](C)O2 ZINC001071193002 789583523 /nfs/dbraw/zinc/58/35/23/789583523.db2.gz VEMJWHYDZWBBGO-CXAGYDPISA-N 0 3 321.396 2.035 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(OC)ns2)CC[C@@H]1C ZINC001071516757 789753733 /nfs/dbraw/zinc/75/37/33/789753733.db2.gz BHYVQSGNYOSABJ-RYUDHWBXSA-N 0 3 309.435 2.311 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071573594 789789121 /nfs/dbraw/zinc/78/91/21/789789121.db2.gz ICANJMGYLMALAG-JKSUJKDBSA-N 0 3 313.445 2.430 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2cnn3ccccc23)CC[C@@H]1C ZINC001071576904 789789464 /nfs/dbraw/zinc/78/94/64/789789464.db2.gz SEOMXSMCCINUSQ-GOEBONIOSA-N 0 3 312.417 2.032 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cncc(COC)c2)CC[C@H]1C ZINC001071583576 789794442 /nfs/dbraw/zinc/79/44/42/789794442.db2.gz JAWJUSBRDDCEFH-RHSMWYFYSA-N 0 3 317.433 2.387 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cc(OCC)no2)CC[C@H]1C ZINC001071688867 789866841 /nfs/dbraw/zinc/86/68/41/789866841.db2.gz ANUBUBWKFMYBDQ-CHWSQXEVSA-N 0 3 307.394 2.232 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nccc3occc32)CC[C@@H]1C ZINC001071698289 789873512 /nfs/dbraw/zinc/87/35/12/789873512.db2.gz NMNFAPBDUFPWAS-UONOGXRCSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C(C)C)cn2)CC[C@@H]1C ZINC001071704712 789876386 /nfs/dbraw/zinc/87/63/86/789876386.db2.gz DKHUGWGDSNMVKF-GJZGRUSLSA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)nn(C)c2C)CC[C@@H]1C ZINC001071718321 789885345 /nfs/dbraw/zinc/88/53/45/789885345.db2.gz MJINTEODJPIVNP-SWLSCSKDSA-N 0 3 304.438 2.196 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(F)ccc2OC)CC[C@H]1C ZINC001071724076 789888836 /nfs/dbraw/zinc/88/88/36/789888836.db2.gz APJAFWMFORIDNU-HIFRSBDPSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(c3cccnc3)CC2)CC[C@H]1C ZINC001071758050 789907083 /nfs/dbraw/zinc/90/70/83/789907083.db2.gz XXFNTNOFWGXWDR-WBVHZDCISA-N 0 3 311.429 2.106 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ncccc2OC)CC[C@H]1C ZINC001071768909 789911408 /nfs/dbraw/zinc/91/14/08/789911408.db2.gz GDVZLSQTMAHQJC-HUUCEWRRSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(CC)cn2)CC[C@@H]1C ZINC001071827965 789933192 /nfs/dbraw/zinc/93/31/92/789933192.db2.gz HBYZMOCMMWPLQZ-WMLDXEAASA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(C)c2CC)CC[C@@H]1C ZINC001071827818 789933751 /nfs/dbraw/zinc/93/37/51/789933751.db2.gz DQMMXFUUKYKQBQ-LSDHHAIUSA-N 0 3 301.434 2.194 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@@H]1C ZINC001071839448 789938346 /nfs/dbraw/zinc/93/83/46/789938346.db2.gz DPMAIDDMUIJGDR-JSGCOSHPSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3cnccc3n2)CC[C@@H]1C ZINC001071839265 789938580 /nfs/dbraw/zinc/93/85/80/789938580.db2.gz CUYKJIACMDCNTH-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2coc(C3CC3)n2)CC[C@H]1C ZINC001071879209 789955476 /nfs/dbraw/zinc/95/54/76/789955476.db2.gz AFYZAHFCWMZITB-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]nc2C2CC2)CC[C@H]1C ZINC001071954478 789985841 /nfs/dbraw/zinc/98/58/41/789985841.db2.gz PJFTXVMNIYREHJ-TZMCWYRMSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c3ccccc3nn2C)CC[C@H]1C ZINC001071964464 789991041 /nfs/dbraw/zinc/99/10/41/789991041.db2.gz NJRSHTIQPBUYSQ-CABCVRRESA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)CC[C@@H]1C ZINC001071983113 789997656 /nfs/dbraw/zinc/99/76/56/789997656.db2.gz WMMPDBPJZZHMKY-UONOGXRCSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@H]1C ZINC001071982807 789997690 /nfs/dbraw/zinc/99/76/90/789997690.db2.gz QZRXWAVTNFLEHQ-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]c3cccnc32)CC[C@H]1C ZINC001071993666 790001462 /nfs/dbraw/zinc/00/14/62/790001462.db2.gz VPHFYMQHLMPQBR-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(CCCF)C2)nc1 ZINC001071999968 790006585 /nfs/dbraw/zinc/00/65/85/790006585.db2.gz UEVKGNCUSRICTP-HIFRSBDPSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(N(C)C)c2)CC[C@@H]1C ZINC001072029933 790020296 /nfs/dbraw/zinc/02/02/96/790020296.db2.gz KGPJMCOGIMMZPW-RDJZCZTQSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccccc2OC)CC[C@H]1C ZINC001072054726 790035398 /nfs/dbraw/zinc/03/53/98/790035398.db2.gz IPKHNQUQDYOVFR-ZBFHGGJFSA-N 0 3 302.418 2.393 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)CC[C@H]1C ZINC001072119760 790060211 /nfs/dbraw/zinc/06/02/11/790060211.db2.gz JEMUONDJBRSOJK-HIFRSBDPSA-N 0 3 316.449 2.456 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001072558769 790177836 /nfs/dbraw/zinc/17/78/36/790177836.db2.gz BAPZYSLTCGAFAN-CDVVCGDMSA-N 0 3 309.413 2.394 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC001072806857 790254179 /nfs/dbraw/zinc/25/41/79/790254179.db2.gz CPKWVXKSVSYBSG-UHFFFAOYSA-N 0 3 300.402 2.492 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CCC1(C)CC1 ZINC001146494656 791295035 /nfs/dbraw/zinc/29/50/35/791295035.db2.gz NSXHGEYMHFJOCF-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccsc2)[C@H](O)C1 ZINC001099885261 791350576 /nfs/dbraw/zinc/35/05/76/791350576.db2.gz KOCLUMUMFWQPIR-JKSUJKDBSA-N 0 3 322.474 2.198 20 30 DEEDHN CC[C@H](F)CN1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@]2(C)C1 ZINC001091604279 791380361 /nfs/dbraw/zinc/38/03/61/791380361.db2.gz CQCUVBBVNDKSAT-IGCXYCKISA-N 0 3 318.396 2.028 20 30 DEEDHN CCCCOCCN1CCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001147523245 791570627 /nfs/dbraw/zinc/57/06/27/791570627.db2.gz RCYWJEXFTBFPTP-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1OC)C2 ZINC001098276274 791601507 /nfs/dbraw/zinc/60/15/07/791601507.db2.gz BTEJZAFTTNULGL-MCIONIFRSA-N 0 3 301.390 2.001 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC13CCC3)C[C@H](C)O2 ZINC001098642723 791667858 /nfs/dbraw/zinc/66/78/58/791667858.db2.gz KBYGUAMJNDKJLT-JKSUJKDBSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001148096240 791679857 /nfs/dbraw/zinc/67/98/57/791679857.db2.gz YGWZVHLMLGWLCN-JKSUJKDBSA-N 0 3 320.477 2.406 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@]2(C)C1 ZINC001091686055 791705088 /nfs/dbraw/zinc/70/50/88/791705088.db2.gz OKWOPPVRVMFXTA-LYYGHALDSA-N 0 3 312.457 2.392 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCCc2ccccn2)cc1 ZINC001148592154 791779525 /nfs/dbraw/zinc/77/95/25/791779525.db2.gz VEOPJBQMLQFJBH-UHFFFAOYSA-N 0 3 322.412 2.182 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC(F)(F)F)C2)CC1 ZINC001086906701 791845082 /nfs/dbraw/zinc/84/50/82/791845082.db2.gz DLJKGMPQFRKVMH-LBPRGKRZSA-N 0 3 302.340 2.275 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCOC3)C2)CC1 ZINC001086908812 791845806 /nfs/dbraw/zinc/84/58/06/791845806.db2.gz IOPPVVWMXZGTTF-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cnc(C)s3)C2)CC1 ZINC001086909644 791847053 /nfs/dbraw/zinc/84/70/53/791847053.db2.gz ZVABHYCVWGKHQI-ZDUSSCGKSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3oc(C)nc3C)C2)CC1 ZINC001086910749 791847505 /nfs/dbraw/zinc/84/75/05/791847505.db2.gz AJKUWVDCFSKQNZ-ZDUSSCGKSA-N 0 3 315.417 2.241 20 30 DEEDHN C=CCN1CCC2(C[C@H](C)N(C(=O)C(=O)C(C)(C)C)C2)CC1 ZINC001086910473 791847754 /nfs/dbraw/zinc/84/77/54/791847754.db2.gz UVXCTNQOZFXNMD-AWEZNQCLSA-N 0 3 306.450 2.491 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCOC3)C2)CC1 ZINC001086912336 791848558 /nfs/dbraw/zinc/84/85/58/791848558.db2.gz OGWVVOFHVOUNRF-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)SC)C2)CC1 ZINC001086916745 791850137 /nfs/dbraw/zinc/85/01/37/791850137.db2.gz RGJPKULWRFYCRX-HUUCEWRRSA-N 0 3 308.491 2.464 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3nc(C)c[nH]3)C2)CC1 ZINC001086947692 791858488 /nfs/dbraw/zinc/85/84/88/791858488.db2.gz FPKVGSNXUFGAOY-HNNXBMFYSA-N 0 3 314.433 2.058 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3oncc3C)C2)CC1 ZINC001086952003 791862542 /nfs/dbraw/zinc/86/25/42/791862542.db2.gz XKMRLHSMCWVZSP-OAHLLOKOSA-N 0 3 315.417 2.323 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)C(=O)N[O-] ZINC001171361093 791870452 /nfs/dbraw/zinc/87/04/52/791870452.db2.gz SRUALLRSHDDUSZ-UAKXVISKSA-N 0 3 312.360 2.332 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4[nH]ccc4s3)C[C@]2(C)C1 ZINC001092233480 791951543 /nfs/dbraw/zinc/95/15/43/791951543.db2.gz MSLCPNQVIHTBGV-PXAZEXFGSA-N 0 3 313.426 2.257 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnn2C2CCC2)C1 ZINC001098839949 791959409 /nfs/dbraw/zinc/95/94/09/791959409.db2.gz AOSNIWIGEJJVCQ-KSSFIOAISA-N 0 3 314.433 2.378 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@]3(C)CCc4ccccc43)C[C@]2(C)C1 ZINC001092309434 791975177 /nfs/dbraw/zinc/97/51/77/791975177.db2.gz JXBWZFZMSJAEOC-JRGCBEDISA-N 0 3 322.452 2.304 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nc(C)c(C)nc2C)C1 ZINC001098933365 791988588 /nfs/dbraw/zinc/98/85/88/791988588.db2.gz JBBSNAUISZAFTE-YJBOKZPZSA-N 0 3 314.433 2.172 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc3ccncc32)C1 ZINC001098961731 792002492 /nfs/dbraw/zinc/00/24/92/792002492.db2.gz URLUGWOOTTYDOC-LIRRHRJNSA-N 0 3 322.412 2.400 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001098996813 792025742 /nfs/dbraw/zinc/02/57/42/792025742.db2.gz HRVICKMMIQXVIR-DZKIICNBSA-N 0 3 310.388 2.416 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(OC)CC2)C1 ZINC001099003026 792028744 /nfs/dbraw/zinc/02/87/44/792028744.db2.gz ABMFCGFLLADDOL-OQGULXLBSA-N 0 3 306.450 2.348 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2occc2C)C1 ZINC001099020730 792040385 /nfs/dbraw/zinc/04/03/85/792040385.db2.gz VFRZWDIFIUFOTE-YJBOKZPZSA-N 0 3 300.402 2.125 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nccc3[nH]ccc32)C1 ZINC001099036214 792052858 /nfs/dbraw/zinc/05/28/58/792052858.db2.gz RUTPMNKVBLNIIH-LIRRHRJNSA-N 0 3 322.412 2.171 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2Cc3ccccc3C2)C1 ZINC001099047689 792061026 /nfs/dbraw/zinc/06/10/26/792061026.db2.gz CKRKQMNVIMJALS-FPOVZHCZSA-N 0 3 322.452 2.395 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=C)C ZINC001099074536 792077933 /nfs/dbraw/zinc/07/79/33/792077933.db2.gz OOIDMNDULSVBDY-CVEARBPZSA-N 0 3 306.450 2.208 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001099096080 792091583 /nfs/dbraw/zinc/09/15/83/792091583.db2.gz HBPYWEXBBRLNDT-WMZOPIPTSA-N 0 3 316.449 2.309 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cncs1 ZINC001099116084 792101559 /nfs/dbraw/zinc/10/15/59/792101559.db2.gz NROGBDWCJXPLIN-ZDUSSCGKSA-N 0 3 307.463 2.478 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(C)c(F)cc2F)[C@H](C)C1 ZINC001092717476 792116508 /nfs/dbraw/zinc/11/65/08/792116508.db2.gz KLRGWJNTKBQGFV-CHWSQXEVSA-N 0 3 306.356 2.204 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@H]1C(F)(F)F ZINC001099207971 792138833 /nfs/dbraw/zinc/13/88/33/792138833.db2.gz QKECWEWGIAPVIK-VXGBXAGGSA-N 0 3 315.339 2.112 20 30 DEEDHN C=CCCC1(C(=O)NC[C@H]2CCC(C)(C)CN2CCO)CC1 ZINC001099214142 792140936 /nfs/dbraw/zinc/14/09/36/792140936.db2.gz HBEWWNFXEUSEAN-OAHLLOKOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C(F)(F)F ZINC001099220017 792142512 /nfs/dbraw/zinc/14/25/12/792142512.db2.gz HKXWJQSOFIUXDU-HTQZYQBOSA-N 0 3 304.234 2.104 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2conc2CC)C[C@H]1C(F)(F)F ZINC001099301381 792166115 /nfs/dbraw/zinc/16/61/15/792166115.db2.gz RZBGBPPVHDUGDH-ZYHUDNBSSA-N 0 3 317.311 2.016 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001099379386 792189422 /nfs/dbraw/zinc/18/94/22/792189422.db2.gz JILXVXMPYBEXJK-HOCLYGCPSA-N 0 3 318.465 2.316 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc([C@@H](C)CC)no2)[C@H](C)C1 ZINC001093032474 792214060 /nfs/dbraw/zinc/21/40/60/792214060.db2.gz NYEBYSMWFTYUCN-BFHYXJOUSA-N 0 3 303.406 2.119 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001093039750 792218169 /nfs/dbraw/zinc/21/81/69/792218169.db2.gz VMDIUZDJCXNUQE-WCVJEAGWSA-N 0 3 312.429 2.011 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)cn1 ZINC001093143138 792251672 /nfs/dbraw/zinc/25/16/72/792251672.db2.gz QNHTTZQKXGWFHO-OTDCPUGPSA-N 0 3 317.820 2.113 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099945438 792413675 /nfs/dbraw/zinc/41/36/75/792413675.db2.gz XFLCTBSVEGYGSN-IRXDYDNUSA-N 0 3 316.445 2.259 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccccc2)[C@@H](O)C1 ZINC001099979704 792427055 /nfs/dbraw/zinc/42/70/55/792427055.db2.gz ZKIDAJSGWGRLHO-ROUUACIJSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)CCCC1 ZINC001100144779 792484941 /nfs/dbraw/zinc/48/49/41/792484941.db2.gz CPOYIHSMQIMNEE-CABCVRRESA-N 0 3 312.429 2.034 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@H](O)C1 ZINC001100146023 792486406 /nfs/dbraw/zinc/48/64/06/792486406.db2.gz ULHKLHMRDDCBCO-JKSUJKDBSA-N 0 3 322.474 2.117 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccc(C)s2)[C@H](O)C1 ZINC001100146022 792487430 /nfs/dbraw/zinc/48/74/30/792487430.db2.gz ULHKLHMRDDCBCO-HZPDHXFCSA-N 0 3 322.474 2.117 20 30 DEEDHN C[C@H](NC1CC(CNC(=O)C#CC(C)(C)C)C1)c1cnccn1 ZINC001100317403 792588647 /nfs/dbraw/zinc/58/86/47/792588647.db2.gz SACSOAMCXCBTBW-NFOMZHRRSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cc(C3CC3)no2)C1 ZINC001100399000 792630503 /nfs/dbraw/zinc/63/05/03/792630503.db2.gz FRRDDRCTXDHDJZ-UHFFFAOYSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100594835 792739327 /nfs/dbraw/zinc/73/93/27/792739327.db2.gz GYISOWSUSWFSAA-JEYLPNPQSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C2(CF)CC2)C1 ZINC001100662446 792774397 /nfs/dbraw/zinc/77/43/97/792774397.db2.gz XLQCJRYMNWTPCT-UHFFFAOYSA-N 0 3 319.218 2.129 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCCn2ccnc2C)C1 ZINC001100758098 792828564 /nfs/dbraw/zinc/82/85/64/792828564.db2.gz XMIYNWFSDPXHPK-UHFFFAOYSA-N 0 3 324.856 2.209 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3nc(Cl)cs3)CCC[C@@H]12 ZINC001094497099 792941528 /nfs/dbraw/zinc/94/15/28/792941528.db2.gz OILGYUQLFGXSPN-IAQYHMDHSA-N 0 3 323.849 2.404 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3ocnc3CC)CCC[C@@H]12 ZINC001094508756 792954713 /nfs/dbraw/zinc/95/47/13/792954713.db2.gz MLXZTQXJZOGWHC-CRAIPNDOSA-N 0 3 315.417 2.235 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3scnc3Cl)CCC[C@@H]12 ZINC001094579607 792992166 /nfs/dbraw/zinc/99/21/66/792992166.db2.gz UTNVVGJPBUDPLY-IAQYHMDHSA-N 0 3 323.849 2.404 20 30 DEEDHN C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)C=C(C)C)c2)C1 ZINC001101088095 793010363 /nfs/dbraw/zinc/01/03/63/793010363.db2.gz AXLAKCXWJFHYRV-QGZVFWFLSA-N 0 3 315.417 2.303 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H](N2CCC(C)(C#N)CC2)CC1=O ZINC001171717981 793183141 /nfs/dbraw/zinc/18/31/41/793183141.db2.gz OFCUUGSLCYZVDU-LBPRGKRZSA-N 0 3 307.394 2.148 20 30 DEEDHN C=CC[C@@H](N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171732491 793187309 /nfs/dbraw/zinc/18/73/09/793187309.db2.gz BDXKKUDMOMOVSP-HYVNUMGLSA-N 0 3 302.418 2.357 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)C#CC1CC1 ZINC001101951225 793457958 /nfs/dbraw/zinc/45/79/58/793457958.db2.gz GQPVAKFPOUZFRD-RHSMWYFYSA-N 0 3 314.404 2.423 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C2(CC(C)C)CC2)[C@H](C)C1 ZINC001102035006 793483861 /nfs/dbraw/zinc/48/38/61/793483861.db2.gz IJNQMYINZVHWBR-IAGOWNOFSA-N 0 3 320.477 2.147 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001102226483 793536189 /nfs/dbraw/zinc/53/61/89/793536189.db2.gz QYAWOMDSQKQABW-HUUCEWRRSA-N 0 3 301.434 2.478 20 30 DEEDHN CCC[C@H](C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C)C(C)C ZINC001102418204 793607966 /nfs/dbraw/zinc/60/79/66/793607966.db2.gz RCRCHHFTDCUBNG-KURKYZTESA-N 0 3 322.493 2.393 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001174650131 794042314 /nfs/dbraw/zinc/04/23/14/794042314.db2.gz NQPAJDYOHFBTDH-AWEZNQCLSA-N 0 3 321.469 2.182 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CCCCN[C@H](C)c1nncn1C ZINC001174978242 794110264 /nfs/dbraw/zinc/11/02/64/794110264.db2.gz JADBGMLRBZGCQX-HUUCEWRRSA-N 0 3 321.469 2.497 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccn(CC)n2)C1 ZINC001103495895 794118557 /nfs/dbraw/zinc/11/85/57/794118557.db2.gz YBADEELMMIICHG-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C[C@@H]1CN(CCF)C[C@H]1CCNC(=O)CC#Cc1ccccc1 ZINC001103744734 794212378 /nfs/dbraw/zinc/21/23/78/794212378.db2.gz OUDYIJBAGQMXIM-SJLPKXTDSA-N 0 3 316.420 2.472 20 30 DEEDHN CCN(CC)CC(=O)NC[C@H](C)CNc1cccc(F)c1C#N ZINC001103981899 794335854 /nfs/dbraw/zinc/33/58/54/794335854.db2.gz SPNBOEWIVZIAFF-CYBMUJFWSA-N 0 3 320.412 2.203 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCOCC)C[C@H]1C ZINC001103984451 794337664 /nfs/dbraw/zinc/33/76/64/794337664.db2.gz UJMIGJPCAFOOTO-TZMCWYRMSA-N 0 3 302.846 2.240 20 30 DEEDHN Cc1csc(CNCC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)n1 ZINC001104004765 794342957 /nfs/dbraw/zinc/34/29/57/794342957.db2.gz LDKLWGIXNSKUMX-OUCADQQQSA-N 0 3 320.462 2.185 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC001104016593 794346579 /nfs/dbraw/zinc/34/65/79/794346579.db2.gz AELVTNDAVKDISD-DGCLKSJQSA-N 0 3 311.813 2.044 20 30 DEEDHN Cc1cc(CNCC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)on1 ZINC001104163709 794403750 /nfs/dbraw/zinc/40/37/50/794403750.db2.gz MXXHHXDMYRBTFW-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C#CCOCCN1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001176544803 794442413 /nfs/dbraw/zinc/44/24/13/794442413.db2.gz MBLVGLPGYXQAAH-MAUKXSAKSA-N 0 3 322.449 2.406 20 30 DEEDHN C[C@@H](CCCCNCC#N)NC(=O)c1ccccc1CN(C)C ZINC001176747418 794486882 /nfs/dbraw/zinc/48/68/82/794486882.db2.gz YPDOSUBYSHBDHP-HNNXBMFYSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CN(CC)c1ccccc1 ZINC001176834976 794510514 /nfs/dbraw/zinc/51/05/14/794510514.db2.gz BWHSKQAXLXQIRH-UHFFFAOYSA-N 0 3 309.841 2.361 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@]2(C)C=CCC2)C[C@H]1C(F)(F)F ZINC001112145462 794564344 /nfs/dbraw/zinc/56/43/44/794564344.db2.gz ULSFONKRSPPYEL-UMVBOHGHSA-N 0 3 314.351 2.345 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)Nc1nc(Cl)cnc1N ZINC001177903161 794772576 /nfs/dbraw/zinc/77/25/76/794772576.db2.gz FSCOEUOZTMDRBQ-ZETCQYMHSA-N 0 3 307.766 2.095 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCc2ccccn2)CCCCC1 ZINC001115451843 794777770 /nfs/dbraw/zinc/77/77/70/794777770.db2.gz IJJVWKBLVWGIHX-CQSZACIVSA-N 0 3 300.406 2.150 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H](NCCF)[C@@H]2C)cc1 ZINC001178685161 794972993 /nfs/dbraw/zinc/97/29/93/794972993.db2.gz PBEQEJIQMUCTPX-YOEHRIQHSA-N 0 3 318.392 2.251 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C[C@H](c2cccs2)N2CCCC2)C1=O ZINC001116769232 794985657 /nfs/dbraw/zinc/98/56/57/794985657.db2.gz BSPDHVCDRPGIOK-QWHCGFSZSA-N 0 3 319.430 2.382 20 30 DEEDHN COc1cc(F)cc(CNCCNc2ncccc2C#N)c1 ZINC001117805139 795107191 /nfs/dbraw/zinc/10/71/91/795107191.db2.gz UVTVWBNMKSQZHU-UHFFFAOYSA-N 0 3 300.337 2.303 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)N[C@H](C)CCC)[C@@H]1C ZINC001179463944 795119879 /nfs/dbraw/zinc/11/98/79/795119879.db2.gz SPGZRDJDRIEBEB-PMPSAXMXSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC001118187293 795163432 /nfs/dbraw/zinc/16/34/32/795163432.db2.gz NYEZAOJVJLXKSQ-QZTJIDSGSA-N 0 3 311.429 2.487 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001180714043 795357866 /nfs/dbraw/zinc/35/78/66/795357866.db2.gz JJQSZLFOCCUUGI-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(C(=O)NCCCCC)CC1 ZINC001120461537 795465676 /nfs/dbraw/zinc/46/56/76/795465676.db2.gz OHSXKNOVZAHJKQ-MRXNPFEDSA-N 0 3 323.481 2.215 20 30 DEEDHN C#Cc1cccc(NC(=O)CNC[C@H](O)CCc2ccccc2)c1 ZINC001120486422 795470989 /nfs/dbraw/zinc/47/09/89/795470989.db2.gz UDJDBBJLLZTPRR-LJQANCHMSA-N 0 3 322.408 2.190 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](CC)OC)C2 ZINC001120781274 795529994 /nfs/dbraw/zinc/52/99/94/795529994.db2.gz HLUXKQWLUZNORW-WRSKWOSUSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cnns3)C2)C1 ZINC001120819327 795536646 /nfs/dbraw/zinc/53/66/46/795536646.db2.gz TZJMVXOYMTVENQ-UHFFFAOYSA-N 0 3 306.435 2.021 20 30 DEEDHN C#CC[C@H](CC)c1nnc(N2CCN([C@@H](C)CC)CC2)n1C ZINC001121329130 795618018 /nfs/dbraw/zinc/61/80/18/795618018.db2.gz ZVRFCCWEPHDJST-GJZGRUSLSA-N 0 3 303.454 2.253 20 30 DEEDHN C#CC[C@@H](CC)c1nnc(N2CCN([C@H](C)CC)CC2)n1C ZINC001121329132 795618165 /nfs/dbraw/zinc/61/81/65/795618165.db2.gz ZVRFCCWEPHDJST-HUUCEWRRSA-N 0 3 303.454 2.253 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001110275502 795646650 /nfs/dbraw/zinc/64/66/50/795646650.db2.gz IVUHBRDJLMAYIJ-VQHPVUNQSA-N 0 3 304.434 2.267 20 30 DEEDHN C=CCn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C(C)(F)F ZINC001121634019 795665167 /nfs/dbraw/zinc/66/51/67/795665167.db2.gz OOCWVBZARBYBBD-NEPJUHHUSA-N 0 3 313.396 2.495 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC001121858602 795696446 /nfs/dbraw/zinc/69/64/46/795696446.db2.gz UJPJNMDRHAAARW-HUUCEWRRSA-N 0 3 322.380 2.230 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CC(=O)OC)c(F)c1 ZINC001122076911 795723934 /nfs/dbraw/zinc/72/39/34/795723934.db2.gz ZNMALRUDQYYGTI-CQSZACIVSA-N 0 3 308.353 2.163 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001122266820 795741278 /nfs/dbraw/zinc/74/12/78/795741278.db2.gz HNOQNZMEFAHFAJ-SKDRFNHKSA-N 0 3 311.769 2.284 20 30 DEEDHN C[C@H](Sc1ccc(F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC001122451749 795760189 /nfs/dbraw/zinc/76/01/89/795760189.db2.gz CPAHWRJOLRYQLN-TVQRCGJNSA-N 0 3 306.362 2.294 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001182894505 795776954 /nfs/dbraw/zinc/77/69/54/795776954.db2.gz ZAWZAVQJVVDSGF-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001183317380 795849855 /nfs/dbraw/zinc/84/98/55/795849855.db2.gz GYJQPUQAEDDOGF-CQSZACIVSA-N 0 3 313.376 2.145 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001183456942 795875834 /nfs/dbraw/zinc/87/58/34/795875834.db2.gz FRARSHPJFFHKNS-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CC=CCC2)cc1F ZINC001123381294 795903636 /nfs/dbraw/zinc/90/36/36/795903636.db2.gz KDYOUMSJHYXGML-AWEZNQCLSA-N 0 3 301.365 2.259 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)o2)cc1 ZINC001123559620 795932897 /nfs/dbraw/zinc/93/28/97/795932897.db2.gz XSDPFGMELADMHR-UHFFFAOYSA-N 0 3 303.749 2.324 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001183834311 795941322 /nfs/dbraw/zinc/94/13/22/795941322.db2.gz FFLTXNLBIPOYJD-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)o1 ZINC001184371757 796056825 /nfs/dbraw/zinc/05/68/25/796056825.db2.gz OSBIOBLTGGLJJQ-ZBFHGGJFSA-N 0 3 317.433 2.217 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](CNCc2cnoc2C)C1 ZINC001330645354 1149231914 /nfs/dbraw/zinc/23/19/14/1149231914.db2.gz ZGZCBAZGUUWASW-KOMQPUFPSA-N 0 3 303.406 2.161 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001184815175 796132545 /nfs/dbraw/zinc/13/25/45/796132545.db2.gz MGBYGQLEOBZOOG-HZPDHXFCSA-N 0 3 312.413 2.157 20 30 DEEDHN O=C(NCCc1ccccc1)N1CCC2SC(=O)C=C2C1 ZINC001184918606 796152505 /nfs/dbraw/zinc/15/25/05/796152505.db2.gz NLDFFXCIPFCVHS-AWEZNQCLSA-N 0 3 302.399 2.213 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CNCc2nccn2C)[C@@H](C)C1 ZINC001185063480 796172794 /nfs/dbraw/zinc/17/27/94/796172794.db2.gz ZWFGHTAXULGFPQ-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@]23CCOC3)cc1OC ZINC001138348422 796203412 /nfs/dbraw/zinc/20/34/12/796203412.db2.gz JHROTNBQTLOLEM-SFHVURJKSA-N 0 3 301.386 2.462 20 30 DEEDHN Cn1c2ccc(CNCc3ccc(CC#N)cc3)cc2oc1=O ZINC001202963426 796414347 /nfs/dbraw/zinc/41/43/47/796414347.db2.gz AIVWNYSTZRJNER-UHFFFAOYSA-N 0 3 307.353 2.487 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001186562937 796416669 /nfs/dbraw/zinc/41/66/69/796416669.db2.gz SNHDQZRAHLVWHJ-KZNAEPCWSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2OC)C1 ZINC001187161336 796490078 /nfs/dbraw/zinc/49/00/78/796490078.db2.gz MQRLXSVKHVGYBC-JKSUJKDBSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(COC(C)C)cc2)C1 ZINC001187751047 796573845 /nfs/dbraw/zinc/57/38/45/796573845.db2.gz XDUGIEJEFOENAY-GOSISDBHSA-N 0 3 314.429 2.439 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001188310113 796656061 /nfs/dbraw/zinc/65/60/61/796656061.db2.gz OLRQQWCZEHYHSO-GXTWGEPZSA-N 0 3 323.824 2.017 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001188356906 796666184 /nfs/dbraw/zinc/66/61/84/796666184.db2.gz VDKZRUXYEUKEDR-GOEBONIOSA-N 0 3 318.417 2.191 20 30 DEEDHN C#CC[C@@H](CC(=O)N1CC[C@@H](NCCF)C1)c1ccccc1 ZINC001188438663 796669573 /nfs/dbraw/zinc/66/95/73/796669573.db2.gz RVFCTXYAMDXKQC-DLBZAZTESA-N 0 3 302.393 2.344 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)nn3)CCC2S1 ZINC001141488449 796670811 /nfs/dbraw/zinc/67/08/11/796670811.db2.gz NRISDQGWTOELJW-SNVBAGLBSA-N 0 3 315.320 2.270 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001188709136 796708559 /nfs/dbraw/zinc/70/85/59/796708559.db2.gz LAQMWCJTJBNVQQ-KRWDZBQOSA-N 0 3 302.418 2.344 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001188776701 796719405 /nfs/dbraw/zinc/71/94/05/796719405.db2.gz CXWITVIYPZRZMV-FGTMMUONSA-N 0 3 318.461 2.468 20 30 DEEDHN CC(C)(S)CNC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142347229 796736876 /nfs/dbraw/zinc/73/68/76/796736876.db2.gz AKPNEIILMUZJRY-UHFFFAOYSA-N 0 3 307.463 2.118 20 30 DEEDHN COCCCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189086788 796768745 /nfs/dbraw/zinc/76/87/45/796768745.db2.gz ULOZGHQGHQTTOT-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN N#Cc1ccc2c(CN3CCC4(C[C@H](O)CO4)CC3)c[nH]c2c1 ZINC001142915976 796785096 /nfs/dbraw/zinc/78/50/96/796785096.db2.gz LERRELVFQVIORH-HNNXBMFYSA-N 0 3 311.385 2.155 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc3n[nH]cc32)C1 ZINC001143101730 796801404 /nfs/dbraw/zinc/80/14/04/796801404.db2.gz LZUDXYYFLICEQA-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc3n[nH]cc32)C1 ZINC001143101734 796801886 /nfs/dbraw/zinc/80/18/86/796801886.db2.gz LZUDXYYFLICEQA-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)C[C@@H](O)c2ccccc2)C1 ZINC001189317966 796807026 /nfs/dbraw/zinc/80/70/26/796807026.db2.gz GPUIGRQLKMHQBV-IAGOWNOFSA-N 0 3 302.418 2.219 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](N(C)CCOC2CCC2)C1 ZINC001189744670 796875645 /nfs/dbraw/zinc/87/56/45/796875645.db2.gz XBKVKKQUDWWIQD-INIZCTEOSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189917023 796902197 /nfs/dbraw/zinc/90/21/97/796902197.db2.gz BQZCIBKPGQOOKS-AEFFLSMTSA-N 0 3 320.408 2.186 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)CCOCCC(C)C)C1 ZINC001189925843 796904087 /nfs/dbraw/zinc/90/40/87/796904087.db2.gz GVCOIAHCTKEMDU-KRWDZBQOSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001150394882 796940867 /nfs/dbraw/zinc/94/08/67/796940867.db2.gz NKXMCKYDRRSZOR-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2(F)CCCCC2)C1 ZINC001150554008 796954322 /nfs/dbraw/zinc/95/43/22/796954322.db2.gz PNKUJARHJUMGLM-HNNXBMFYSA-N 0 3 312.429 2.442 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](C)n2cccc2)C1 ZINC001150612456 796959951 /nfs/dbraw/zinc/95/99/51/796959951.db2.gz AIHGWDBNJQZUMJ-IAGOWNOFSA-N 0 3 319.449 2.222 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ccoc2)CC1 ZINC001150943340 796994007 /nfs/dbraw/zinc/99/40/07/796994007.db2.gz ISTOQHHDTUFXCJ-UHFFFAOYSA-N 0 3 306.406 2.457 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccnc(F)c2)CC1 ZINC001151007336 797000388 /nfs/dbraw/zinc/00/03/88/797000388.db2.gz JIGVRKJFDIKPAA-UHFFFAOYSA-N 0 3 321.396 2.008 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001151288548 797029947 /nfs/dbraw/zinc/02/99/47/797029947.db2.gz YETLLZPNVQKBFE-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccn(C)c2C)CC1 ZINC001151312123 797032888 /nfs/dbraw/zinc/03/28/88/797032888.db2.gz JDUZXNGBFUUWBG-UHFFFAOYSA-N 0 3 319.449 2.120 20 30 DEEDHN C=CCC1(S(=O)(=O)N2CCCC[C@H]2CN2CCCC2)CC1 ZINC001190796270 797079828 /nfs/dbraw/zinc/07/98/28/797079828.db2.gz DHUILOIDXMNIRO-HNNXBMFYSA-N 0 3 312.479 2.375 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2cncn2C)CCCCC1 ZINC001152011153 797131123 /nfs/dbraw/zinc/13/11/23/797131123.db2.gz YKXDZHFATSIIID-UHFFFAOYSA-N 0 3 304.438 2.153 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCSCC)C1 ZINC001191339445 797176763 /nfs/dbraw/zinc/17/67/63/797176763.db2.gz UUZFGXAPDVZKBJ-HUUCEWRRSA-N 0 3 316.511 2.261 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CSCCC)C1 ZINC001191400879 797189028 /nfs/dbraw/zinc/18/90/28/797189028.db2.gz CGUGOSQVEJUPMA-HUUCEWRRSA-N 0 3 316.511 2.261 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450343 797189077 /nfs/dbraw/zinc/18/90/77/797189077.db2.gz YJIWDYVYMRDBME-CHWSQXEVSA-N 0 3 316.380 2.184 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CSCCC)C1 ZINC001191369246 797191535 /nfs/dbraw/zinc/19/15/35/797191535.db2.gz ISQSOIPLSUUPDI-HUUCEWRRSA-N 0 3 314.495 2.037 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(OC)cs2)C1 ZINC001191673841 797238383 /nfs/dbraw/zinc/23/83/83/797238383.db2.gz ASNRCKRFXVVDJT-ZDUSSCGKSA-N 0 3 324.446 2.106 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@@H](N(C)CCOCC=C)C1 ZINC001191762810 797251850 /nfs/dbraw/zinc/25/18/50/797251850.db2.gz GNPSGVCZMQRSBE-QGZVFWFLSA-N 0 3 306.450 2.305 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001191890081 797282194 /nfs/dbraw/zinc/28/21/94/797282194.db2.gz NRYSATJMFXQFIL-UONOGXRCSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001192225732 797347081 /nfs/dbraw/zinc/34/70/81/797347081.db2.gz BFCQJKOIJIFXLJ-LBPRGKRZSA-N 0 3 311.813 2.017 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccccc1F ZINC001153548595 797352399 /nfs/dbraw/zinc/35/23/99/797352399.db2.gz IHNOZUROTUPMGP-ZIAGYGMSSA-N 0 3 306.381 2.053 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1cccc(OC)c1F ZINC001153738762 797384036 /nfs/dbraw/zinc/38/40/36/797384036.db2.gz FWAHNSXXHJMIND-CQSZACIVSA-N 0 3 320.408 2.227 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC001192559728 797406911 /nfs/dbraw/zinc/40/69/11/797406911.db2.gz JNAPOSFATJCZPN-IRXDYDNUSA-N 0 3 320.408 2.433 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1nc(C)sc1C ZINC001154020492 797445207 /nfs/dbraw/zinc/44/52/07/797445207.db2.gz HVWASGBXSPRJCH-GFCCVEGCSA-N 0 3 307.463 2.152 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001192750187 797448176 /nfs/dbraw/zinc/44/81/76/797448176.db2.gz VFFSFZZMJDLAFR-HZPDHXFCSA-N 0 3 320.433 2.427 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001192814223 797453426 /nfs/dbraw/zinc/45/34/26/797453426.db2.gz YSTSCLVDLINWHV-IAGOWNOFSA-N 0 3 318.461 2.088 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn2cccc(Cl)c12 ZINC001154242613 797494358 /nfs/dbraw/zinc/49/43/58/797494358.db2.gz WCWLEYCRQISPMU-GFCCVEGCSA-N 0 3 318.808 2.061 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc2cnccc2c1 ZINC001154336607 797515889 /nfs/dbraw/zinc/51/58/89/797515889.db2.gz YXPCTPRUZHIQEL-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC001193551150 797590237 /nfs/dbraw/zinc/59/02/37/797590237.db2.gz NHNGVWDRGGJYBR-DLBZAZTESA-N 0 3 319.449 2.175 20 30 DEEDHN Cc1cccc(C(=O)NCCCNCc2ccccc2C#N)n1 ZINC001154729338 797598529 /nfs/dbraw/zinc/59/85/29/797598529.db2.gz IWEDHWDJZQYXDN-UHFFFAOYSA-N 0 3 308.385 2.171 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)OCc2ccc(F)cc2)C1 ZINC001193775891 797619362 /nfs/dbraw/zinc/61/93/62/797619362.db2.gz AOFFYDQGRKUPTD-WMLDXEAASA-N 0 3 320.408 2.450 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCCc2nc(C(C)C)no2)C1 ZINC001194018461 797663695 /nfs/dbraw/zinc/66/36/95/797663695.db2.gz ZQIDMMRIQHGOCY-AWEZNQCLSA-N 0 3 320.437 2.234 20 30 DEEDHN CCN1CCCC[C@H]1c1ccc(N2CCO[C@@H](C#N)C2)nc1 ZINC001155342194 797737614 /nfs/dbraw/zinc/73/76/14/797737614.db2.gz QKXZNGACFQLMGA-HOTGVXAUSA-N 0 3 300.406 2.357 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)CC(F)(F)F)c1 ZINC001155361893 797741318 /nfs/dbraw/zinc/74/13/18/797741318.db2.gz NZLDNPUYGYYPMZ-UHFFFAOYSA-N 0 3 317.286 2.246 20 30 DEEDHN CCc1nc(C#N)c(C#N)nc1N[C@H]1CNCc2ccsc21 ZINC001155572040 797793675 /nfs/dbraw/zinc/79/36/75/797793675.db2.gz WJIFCBSMDKQCHL-ZDUSSCGKSA-N 0 3 310.386 2.100 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(=O)[nH]c(CCC)c1 ZINC001155724375 797835218 /nfs/dbraw/zinc/83/52/18/797835218.db2.gz KFSBGWPQEVQCKJ-CQSZACIVSA-N 0 3 317.433 2.203 20 30 DEEDHN CSC[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155782440 797845818 /nfs/dbraw/zinc/84/58/18/797845818.db2.gz IQJJALBYJKHMCL-ZDUSSCGKSA-N 0 3 305.447 2.153 20 30 DEEDHN CCOc1cccc(Cl)c1CNCCCNC(=O)[C@@H](C)C#N ZINC001155848842 797865990 /nfs/dbraw/zinc/86/59/90/797865990.db2.gz PXGAOBVSEFPBRU-LBPRGKRZSA-N 0 3 323.824 2.494 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001155851342 797867448 /nfs/dbraw/zinc/86/74/48/797867448.db2.gz XIXZTVBPWUXPJP-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001155856188 797868307 /nfs/dbraw/zinc/86/83/07/797868307.db2.gz DTCQTUPFVKGBGB-CYBMUJFWSA-N 0 3 321.490 2.443 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001155900247 797876504 /nfs/dbraw/zinc/87/65/04/797876504.db2.gz IHXMYZJCVOVLTH-QAPCUYQASA-N 0 3 314.429 2.230 20 30 DEEDHN CC/C=C\CCN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001195426071 797906099 /nfs/dbraw/zinc/90/60/99/797906099.db2.gz HUCHYTRDTTWYSX-ARJAWSKDSA-N 0 3 300.406 2.391 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195467844 797908811 /nfs/dbraw/zinc/90/88/11/797908811.db2.gz WMTNYDJXZUSCEI-KIUVSXKZSA-N 0 3 306.450 2.088 20 30 DEEDHN O=C1C=C2CN(C(=S)NCc3ccccc3)CCC2S1 ZINC001195603882 797928301 /nfs/dbraw/zinc/92/83/01/797928301.db2.gz KPDVXPRXLCMEPV-ZDUSSCGKSA-N 0 3 304.440 2.335 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001195681262 797938297 /nfs/dbraw/zinc/93/82/97/797938297.db2.gz CCNXWSUMPZZNGS-KRWDZBQOSA-N 0 3 322.474 2.152 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001195996957 797989586 /nfs/dbraw/zinc/98/95/86/797989586.db2.gz IXVAPQBFBFAXTC-QBPKDAKJSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(CCCF)CC1)OCC ZINC001196025675 797996391 /nfs/dbraw/zinc/99/63/91/797996391.db2.gz SFUWAWRELVSWIC-OAHLLOKOSA-N 0 3 300.418 2.252 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC/C=C/CCC)C[C@H]2O)C1 ZINC001196029161 797998242 /nfs/dbraw/zinc/99/82/42/797998242.db2.gz FPMOYVDLRFFLNZ-YCZSJOHXSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001196031610 797998713 /nfs/dbraw/zinc/99/87/13/797998713.db2.gz XYZRCFFIRHJDCH-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC001196078906 798003740 /nfs/dbraw/zinc/00/37/40/798003740.db2.gz OORJLWZXUZSVPP-UHFFFAOYSA-N 0 3 319.453 2.147 20 30 DEEDHN N#Cc1cnc(Cl)nc1-n1cncc1CNCc1ccccc1 ZINC001156482651 798013570 /nfs/dbraw/zinc/01/35/70/798013570.db2.gz QYVCWGHNMOXODW-UHFFFAOYSA-N 0 3 324.775 2.477 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2C)C1 ZINC001196420372 798057279 /nfs/dbraw/zinc/05/72/79/798057279.db2.gz AFXGANUGUPSZKU-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1OCCc2ccccc21 ZINC001156672278 798059911 /nfs/dbraw/zinc/05/99/11/798059911.db2.gz KNTHDBVATPBQBK-KRWDZBQOSA-N 0 3 302.418 2.267 20 30 DEEDHN CC[C@@H](OC)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152288579 798087201 /nfs/dbraw/zinc/08/72/01/798087201.db2.gz RVKQGFKDLBXEJX-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001196665793 798090116 /nfs/dbraw/zinc/09/01/16/798090116.db2.gz GYUYYMZCJSFPPC-RDJZCZTQSA-N 0 3 314.445 2.498 20 30 DEEDHN CC(C)(C)OCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156831893 798090809 /nfs/dbraw/zinc/09/08/09/798090809.db2.gz MVMCBRDQCUDADQ-UHFFFAOYSA-N 0 3 321.396 2.108 20 30 DEEDHN N#Cc1ccc(CCNc2cccc(N3CCOCC3)n2)cc1 ZINC001156837717 798092551 /nfs/dbraw/zinc/09/25/51/798092551.db2.gz MYXJUGVZSTVYBB-UHFFFAOYSA-N 0 3 308.385 2.444 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc(OC)c(Cl)c1 ZINC001157058197 798135699 /nfs/dbraw/zinc/13/56/99/798135699.db2.gz PNCVZQFSZQKJRK-GFCCVEGCSA-N 0 3 323.824 2.207 20 30 DEEDHN C=C1CCC(C(=O)N2CCCN(CCC[C@H](C)O)CC2)CC1 ZINC001197043624 798136918 /nfs/dbraw/zinc/13/69/18/798136918.db2.gz JSBWRRDYXGVMLC-INIZCTEOSA-N 0 3 308.466 2.428 20 30 DEEDHN C=CCCC1(C(=O)N2CCCN(CCC[C@@H](C)O)CC2)CC1 ZINC001197062636 798143314 /nfs/dbraw/zinc/14/33/14/798143314.db2.gz VNYWVPQDTSHQAL-MRXNPFEDSA-N 0 3 308.466 2.428 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)[C@H](COC)OC)CC1 ZINC001197118610 798150107 /nfs/dbraw/zinc/15/01/07/798150107.db2.gz RSROJGSUJQYSLZ-INIZCTEOSA-N 0 3 314.470 2.153 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001157196958 798160380 /nfs/dbraw/zinc/16/03/80/798160380.db2.gz YPGYGDDKZOHEKM-XOKHGSTOSA-N 0 3 302.393 2.389 20 30 DEEDHN C=CC1(CC(=O)N[C@H](CO)CN2CCCCC2)CCCCC1 ZINC001157547503 798226502 /nfs/dbraw/zinc/22/65/02/798226502.db2.gz ARWTYBSJDOEHBR-INIZCTEOSA-N 0 3 308.466 2.476 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001197841440 798243599 /nfs/dbraw/zinc/24/35/99/798243599.db2.gz LVFMOIWPYYKEPI-FVQBIDKESA-N 0 3 320.433 2.280 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CCOCC1CCC1 ZINC001157695938 798261222 /nfs/dbraw/zinc/26/12/22/798261222.db2.gz LCHSXMSKHHBBSS-DOTOQJQBSA-N 0 3 321.465 2.276 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC1(F)F ZINC001157914173 798304186 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798421483 /nfs/dbraw/zinc/42/14/83/798421483.db2.gz XZZMBGWGUNNWSY-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001198970599 798421495 /nfs/dbraw/zinc/42/14/95/798421495.db2.gz PKHYBRQVKYWGFJ-BPLDGKMQSA-N 0 3 322.474 2.440 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001158533979 798422992 /nfs/dbraw/zinc/42/29/92/798422992.db2.gz PCGMNCDUHZOMNY-HZPDHXFCSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)CN(CC)CC ZINC001158616143 798437036 /nfs/dbraw/zinc/43/70/36/798437036.db2.gz DJBHCXWZPGTCIY-OAHLLOKOSA-N 0 3 315.889 2.394 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001199206255 798451257 /nfs/dbraw/zinc/45/12/57/798451257.db2.gz NHTBHSIMMLGZMM-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCC)C[C@H]2O)CCCCC1 ZINC001199278231 798465980 /nfs/dbraw/zinc/46/59/80/798465980.db2.gz TZJQIVUOARCGEX-IAGOWNOFSA-N 0 3 320.477 2.312 20 30 DEEDHN 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C#CCCCN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC001209266484 801162123 /nfs/dbraw/zinc/16/21/23/801162123.db2.gz REXHYTPLBVAYNU-IAGOWNOFSA-N 0 3 310.397 2.049 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001209365615 801176186 /nfs/dbraw/zinc/17/61/86/801176186.db2.gz JSSFAQQTGGQHQK-INIZCTEOSA-N 0 3 302.422 2.222 20 30 DEEDHN Cc1nocc1C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209376012 801179534 /nfs/dbraw/zinc/17/95/34/801179534.db2.gz ZIEYEVAGCXQOOZ-KRWDZBQOSA-N 0 3 323.396 2.229 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC001229022773 801210083 /nfs/dbraw/zinc/21/00/83/801210083.db2.gz JXOCRCBVRUYNEZ-KRWDZBQOSA-N 0 3 315.461 2.489 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCC[C@@H](NC[C@H](F)CC)C2)c1 ZINC001209561141 801219176 /nfs/dbraw/zinc/21/91/76/801219176.db2.gz JTGPFSWJYWRISL-HZPDHXFCSA-N 0 3 303.381 2.005 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3cnccc3N)C2)cc1 ZINC001209733381 801267363 /nfs/dbraw/zinc/26/73/63/801267363.db2.gz VEPDHVMWSMDRJY-QGZVFWFLSA-N 0 3 308.385 2.409 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CCOC ZINC001230197087 801369433 /nfs/dbraw/zinc/36/94/33/801369433.db2.gz NGJYQBCVHJAMHW-MRVWCRGKSA-N 0 3 302.846 2.429 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001210660113 801440773 /nfs/dbraw/zinc/44/07/73/801440773.db2.gz GZVWWYVGRVYDJZ-CHWSQXEVSA-N 0 3 318.408 2.307 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001210688368 801446220 /nfs/dbraw/zinc/44/62/20/801446220.db2.gz OROJSOBKTBXUOD-JFIYKMOQSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCCC(=O)NCCCN(Cc1cccnc1)C[C@@H](C)OC ZINC001230709973 801469548 /nfs/dbraw/zinc/46/95/48/801469548.db2.gz OIAICUKZJSFBRV-MRXNPFEDSA-N 0 3 319.449 2.391 20 30 DEEDHN C=CCCC(=O)NCCCN(Cc1cccnc1)[C@@H](C)COC ZINC001230709947 801470318 /nfs/dbraw/zinc/47/03/18/801470318.db2.gz NGDRUNIDMDUITH-INIZCTEOSA-N 0 3 319.449 2.391 20 30 DEEDHN C=CCCC(=O)NCCCN(Cc1cccnc1)C[C@H](C)OC ZINC001230709972 801470486 /nfs/dbraw/zinc/47/04/86/801470486.db2.gz 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CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001215323103 801835223 /nfs/dbraw/zinc/83/52/23/801835223.db2.gz VCITWICFLMOEAD-XOKHGSTOSA-N 0 3 320.383 2.362 20 30 DEEDHN C[C@@H]1CN(C(=O)CCCF)C[C@H]1NCC#Cc1ccccc1 ZINC001215338104 801839818 /nfs/dbraw/zinc/83/98/18/801839818.db2.gz QEEOLPHDPFMXCC-NVXWUHKLSA-N 0 3 302.393 2.224 20 30 DEEDHN C#Cc1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001216568482 801993533 /nfs/dbraw/zinc/99/35/33/801993533.db2.gz MXOJDFGTHWOKPC-UHFFFAOYSA-N 0 3 302.337 2.426 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3cccc(C)c3)[C@H]2C1 ZINC001217231561 802061010 /nfs/dbraw/zinc/06/10/10/802061010.db2.gz UJFHJJXZWWLMFW-ZWKOTPCHSA-N 0 3 314.429 2.486 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@H]3C=CCC3)[C@H]2C1 ZINC001217249437 802061482 /nfs/dbraw/zinc/06/14/82/802061482.db2.gz ZQAMYDOCNKRUPU-YESZJQIVSA-N 0 3 304.434 2.221 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H](C)CC(F)F)[C@H]2C1 ZINC001218325634 802169016 /nfs/dbraw/zinc/16/90/16/802169016.db2.gz 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802334204 /nfs/dbraw/zinc/33/42/04/802334204.db2.gz UOPQMCMXGZEXTQ-FUHWJXTLSA-N 0 3 314.429 2.320 20 30 DEEDHN N#CC1(CNC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)CCC1 ZINC001219631901 802356327 /nfs/dbraw/zinc/35/63/27/802356327.db2.gz CZTKIJNIUBTJMC-URZJAHPPSA-N 0 3 301.434 2.340 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](O)C1 ZINC001219814225 802379253 /nfs/dbraw/zinc/37/92/53/802379253.db2.gz ZAEBOOWWCIVJFQ-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@@H]2O)CCC1 ZINC001219785268 802379626 /nfs/dbraw/zinc/37/96/26/802379626.db2.gz IEKNXMMFDGASCT-CVEARBPZSA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 ZINC001219851468 802383470 /nfs/dbraw/zinc/38/34/70/802383470.db2.gz QPULHOUAWXHUSU-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001220199006 802425021 /nfs/dbraw/zinc/42/50/21/802425021.db2.gz GECMNOTZXKXLQG-HMDCTGQHSA-N 0 3 308.466 2.164 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC001220249697 802431718 /nfs/dbraw/zinc/43/17/18/802431718.db2.gz WYOFJMCLDTZGPA-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN C#Cc1ccc(CNC(=O)[C@@](C)(N)Cc2ccc(F)cc2)cc1 ZINC001220381030 802451642 /nfs/dbraw/zinc/45/16/42/802451642.db2.gz GCFZCSFWOVDOHD-IBGZPJMESA-N 0 3 310.372 2.383 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448712 802461509 /nfs/dbraw/zinc/46/15/09/802461509.db2.gz UCFCJTIYKIADGC-IMJJTQAJSA-N 0 3 322.474 2.054 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccsc2Cl)[C@@H](O)C1 ZINC001220485988 802466806 /nfs/dbraw/zinc/46/68/06/802466806.db2.gz YXURBKBZBMFPRH-NEPJUHHUSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001220564844 802474797 /nfs/dbraw/zinc/47/47/97/802474797.db2.gz IQDLASIAQNTZJN-XKQJLSEDSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@@H](O)C1 ZINC001220989490 802518561 /nfs/dbraw/zinc/51/85/61/802518561.db2.gz YYNWAHLILXDWEQ-CVEARBPZSA-N 0 3 320.408 2.184 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCCC2CCCC2)[C@@H](O)C1 ZINC001221118945 802529616 /nfs/dbraw/zinc/52/96/16/802529616.db2.gz NHTBHSIMMLGZMM-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001221700608 802604913 /nfs/dbraw/zinc/60/49/13/802604913.db2.gz GZMZZTWCTYDJTD-VSZNYVQBSA-N 0 3 318.461 2.158 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001221748523 802611295 /nfs/dbraw/zinc/61/12/95/802611295.db2.gz YICUVPKHGAFUEQ-NVXWUHKLSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CC1(CC(=O)N2C[C@H]3CCN(C[C@H](C)O)C[C@H]32)CCCCC1 ZINC001221867588 802622194 /nfs/dbraw/zinc/62/21/94/802622194.db2.gz XUTSUUJJICQVPW-GVDBMIGSSA-N 0 3 320.477 2.427 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001221918124 802627020 /nfs/dbraw/zinc/62/70/20/802627020.db2.gz BVCTZUQRNAINHL-BRWVUGGUSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001222067406 802636619 /nfs/dbraw/zinc/63/66/19/802636619.db2.gz HNMMGLQXUJNQTH-ZBFHGGJFSA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001222072545 802637447 /nfs/dbraw/zinc/63/74/47/802637447.db2.gz KEGUBNDMMKDIFN-KBPBESRZSA-N 0 3 323.462 2.123 20 30 DEEDHN N#Cc1ccc(CN2CCC(CNC(=O)C(F)F)CC2)cc1 ZINC001222222276 802657461 /nfs/dbraw/zinc/65/74/61/802657461.db2.gz CVQAALPYCUKJGB-UHFFFAOYSA-N 0 3 307.344 2.152 20 30 DEEDHN Cc1cccnc1CN1CCC(CNC(=O)C#CC2CC2)CC1 ZINC001223129592 802767882 /nfs/dbraw/zinc/76/78/82/802767882.db2.gz CVNWORNPZVMVAW-UHFFFAOYSA-N 0 3 311.429 2.132 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@](C)(C=C)CCOC)C[C@@H]21 ZINC001223200754 802772509 /nfs/dbraw/zinc/77/25/09/802772509.db2.gz RMGLUHDAVYUEKG-SOLBZPMBSA-N 0 3 306.450 2.324 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(COC)CCCCC2)CC1 ZINC001223405199 802787670 /nfs/dbraw/zinc/78/76/70/802787670.db2.gz VBQMIWNUSODKQR-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001223449888 802791384 /nfs/dbraw/zinc/79/13/84/802791384.db2.gz OVDQXXBMVHPFNJ-QGZVFWFLSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2c(F)cccc2F)CC1 ZINC001224261699 802852520 /nfs/dbraw/zinc/85/25/20/802852520.db2.gz YMSJDOHNQCUXPN-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](CC)OC2CCCC2)CC1 ZINC001224701580 802895888 /nfs/dbraw/zinc/89/58/88/802895888.db2.gz ALDQLBXSMMVZAM-KRWDZBQOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001224795759 802904159 /nfs/dbraw/zinc/90/41/59/802904159.db2.gz KHOLOIVCGWDQAX-LBPRGKRZSA-N 0 3 324.856 2.169 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](CC)c2c(C)noc2C)CC1 ZINC001224855287 802910474 /nfs/dbraw/zinc/91/04/74/802910474.db2.gz LKMWVKCLKCZXBL-MRXNPFEDSA-N 0 3 317.433 2.246 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001225946864 803033737 /nfs/dbraw/zinc/03/37/37/803033737.db2.gz MEBWQOVNHZIHQP-UMVBOHGHSA-N 0 3 300.830 2.083 20 30 DEEDHN Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)C#CC2CC2)s1 ZINC001226111471 803055055 /nfs/dbraw/zinc/05/50/55/803055055.db2.gz IYSRCYJDBWPYRI-HZPDHXFCSA-N 0 3 317.458 2.382 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001226984002 803186281 /nfs/dbraw/zinc/18/62/81/803186281.db2.gz PVJJSHLPHCDUNK-NWANDNLSSA-N 0 3 318.421 2.168 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001227562323 803253131 /nfs/dbraw/zinc/25/31/31/803253131.db2.gz NYJCYXOASQFXSW-UHFFFAOYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CCc2ccsc2)CC1 ZINC001227826218 803285100 /nfs/dbraw/zinc/28/51/00/803285100.db2.gz YTLIYIVBOCVJGI-UHFFFAOYSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001228074499 803316791 /nfs/dbraw/zinc/31/67/91/803316791.db2.gz IXVJOSVPPWMLOE-VYDXJSESSA-N 0 3 306.450 2.206 20 30 DEEDHN CC#CCCCC(=O)NC1CCN(CCOCC2CC2)CC1 ZINC001228778823 803410223 /nfs/dbraw/zinc/41/02/23/803410223.db2.gz CXEZQGTVPRLIAU-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001417898861 1167291761 /nfs/dbraw/zinc/29/17/61/1167291761.db2.gz KUCYCQCMFMHBKG-ZYHUDNBSSA-N 0 3 314.792 2.274 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)F)C1 ZINC001418600073 1167835551 /nfs/dbraw/zinc/83/55/51/1167835551.db2.gz FULYQZPLUQCROH-AOOOYVTPSA-N 0 3 307.207 2.128 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001370211930 1149424543 /nfs/dbraw/zinc/42/45/43/1149424543.db2.gz KEYVIDDSWBAWDT-NZVBXONLSA-N 0 3 303.431 2.260 20 30 DEEDHN COCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001368851969 1148716903 /nfs/dbraw/zinc/71/69/03/1148716903.db2.gz HWZOZPVYQMNBPR-VXGBXAGGSA-N 0 3 321.446 2.029 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(COCC)cc1 ZINC001335927632 1150561936 /nfs/dbraw/zinc/56/19/36/1150561936.db2.gz MLCRIVVLANAWKO-UHFFFAOYSA-N 0 3 303.406 2.300 20 30 DEEDHN CCN(CCNC(=O)[C@H](F)C(C)C)Cc1cccc(C#N)c1 ZINC001420414247 1169506492 /nfs/dbraw/zinc/50/64/92/1169506492.db2.gz FAUKVMQKVMKRKT-MRXNPFEDSA-N 0 3 305.397 2.490 20 30 DEEDHN C=CCC1(O)CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC001331733299 1149642882 /nfs/dbraw/zinc/64/28/82/1149642882.db2.gz BBPCJWOECLTQDQ-MRXNPFEDSA-N 0 3 321.465 2.116 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCC(c2ccc(OC)cc2)CC1 ZINC001574962599 1069310577 /nfs/dbraw/zinc/31/05/77/1069310577.db2.gz MWLOPPYCBZEOSK-KRWDZBQOSA-N 0 3 300.402 2.142 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC001574971410 1069315027 /nfs/dbraw/zinc/31/50/27/1069315027.db2.gz DRLCMJSSMBDUTJ-INIZCTEOSA-N 0 3 309.369 2.231 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(OC(F)F)cn1 ZINC001344322715 1150816936 /nfs/dbraw/zinc/81/69/36/1150816936.db2.gz WGJNCVOQDBVZGN-SNVBAGLBSA-N 0 3 306.272 2.389 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN(C)CCC ZINC001344475961 1150825188 /nfs/dbraw/zinc/82/51/88/1150825188.db2.gz WJTAJLCMRCDOGN-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC2(OC)CCC2)C1 ZINC001368467761 1148456734 /nfs/dbraw/zinc/45/67/34/1148456734.db2.gz DQQWNSIGTBHLRY-BETUJISGSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1nccs1 ZINC001368887628 1148747792 /nfs/dbraw/zinc/74/77/92/1148747792.db2.gz LXKYKKFBJGLPIV-UWVGGRQHSA-N 0 3 320.443 2.373 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CN(CC)Cc2cn[nH]n2)CC1 ZINC001575062704 1069350336 /nfs/dbraw/zinc/35/03/36/1069350336.db2.gz VELXPMNCGCNBGB-UHFFFAOYSA-N 0 3 319.453 2.077 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CN(CC)Cc2c[nH]nn2)CC1 ZINC001575062704 1069350351 /nfs/dbraw/zinc/35/03/51/1069350351.db2.gz VELXPMNCGCNBGB-UHFFFAOYSA-N 0 3 319.453 2.077 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001523229939 1069600017 /nfs/dbraw/zinc/60/00/17/1069600017.db2.gz ALXIEQZWGHSLEC-MAUKXSAKSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN1CCC2(CC1)CCN(C(=O)CC(C)C)CC2 ZINC001328503372 1148803151 /nfs/dbraw/zinc/80/31/51/1148803151.db2.gz KIXPRPDZGMGODI-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C#C[C@@H]1CCCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602696169 1069729410 /nfs/dbraw/zinc/72/94/10/1069729410.db2.gz DCBPJHCEXLFLBG-OAHLLOKOSA-N 0 3 311.389 2.123 20 30 DEEDHN C#C[C@@H]1CCCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602696169 1069729418 /nfs/dbraw/zinc/72/94/18/1069729418.db2.gz DCBPJHCEXLFLBG-OAHLLOKOSA-N 0 3 311.389 2.123 20 30 DEEDHN C=CC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602823731 1069767116 /nfs/dbraw/zinc/76/71/16/1069767116.db2.gz MEECKXPDZMYRNC-NSHDSACASA-N 0 3 314.349 2.173 20 30 DEEDHN C=CC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602823731 1069767124 /nfs/dbraw/zinc/76/71/24/1069767124.db2.gz MEECKXPDZMYRNC-NSHDSACASA-N 0 3 314.349 2.173 20 30 DEEDHN C=CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602823731 1069767132 /nfs/dbraw/zinc/76/71/32/1069767132.db2.gz MEECKXPDZMYRNC-NSHDSACASA-N 0 3 314.349 2.173 20 30 DEEDHN C=CC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602823731 1069767140 /nfs/dbraw/zinc/76/71/40/1069767140.db2.gz MEECKXPDZMYRNC-NSHDSACASA-N 0 3 314.349 2.173 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001368496955 1148467448 /nfs/dbraw/zinc/46/74/48/1148467448.db2.gz JTPJBQTWHBNRMJ-VHDGCEQUSA-N 0 3 321.371 2.430 20 30 DEEDHN Cc1cc(CN2CC([C@H](C)NC(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001425226025 1174246718 /nfs/dbraw/zinc/24/67/18/1174246718.db2.gz BZXWNGLNNYWQNV-PWSUYJOCSA-N 0 3 305.447 2.461 20 30 DEEDHN CCCCCCC[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604175688 1070262703 /nfs/dbraw/zinc/26/27/03/1070262703.db2.gz ALWBIRDCBYXMLB-HNNXBMFYSA-N 0 3 303.410 2.460 20 30 DEEDHN CCCCCCC[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604175688 1070262720 /nfs/dbraw/zinc/26/27/20/1070262720.db2.gz ALWBIRDCBYXMLB-HNNXBMFYSA-N 0 3 303.410 2.460 20 30 DEEDHN COc1ccc(C)cc1CN[C@H](C)CN(C)C(=O)[C@H](C)C#N ZINC001425546310 1174363470 /nfs/dbraw/zinc/36/34/70/1174363470.db2.gz MGOPTSHMYSVLEG-ZIAGYGMSSA-N 0 3 303.406 2.100 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncs1 ZINC001328683102 1148823984 /nfs/dbraw/zinc/82/39/84/1148823984.db2.gz HRTWWEDYBLIQRE-GDBMZVCRSA-N 0 3 311.410 2.152 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(C2CC2)cnn1C ZINC001328734202 1148829449 /nfs/dbraw/zinc/82/94/49/1148829449.db2.gz VYEZQMSFUMMYKE-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)[C@H]1C ZINC001691741104 1138262428 /nfs/dbraw/zinc/26/24/28/1138262428.db2.gz LACCXHJQLOIIJM-GRYCIOLGSA-N 0 3 308.344 2.109 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COc1ccccc1C ZINC001328785867 1148835178 /nfs/dbraw/zinc/83/51/78/1148835178.db2.gz LDQFFSBDSROWJY-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001459796561 1058218215 /nfs/dbraw/zinc/21/82/15/1058218215.db2.gz JKMRLVSJWVLBQK-BMFZPTHFSA-N 0 3 322.355 2.079 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]1CNCc1cccc(Cl)n1 ZINC001499882504 1058343789 /nfs/dbraw/zinc/34/37/89/1058343789.db2.gz MRQGGGWLTVLPME-AWEZNQCLSA-N 0 3 323.824 2.018 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN(C)Cc2cccc(=O)[nH]2)cc1 ZINC001460833011 1058519920 /nfs/dbraw/zinc/51/99/20/1058519920.db2.gz XHCBBMNHQDPPKR-UHFFFAOYSA-N 0 3 309.369 2.229 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2c(C)noc2Cl)C1 ZINC001500268899 1058653341 /nfs/dbraw/zinc/65/33/41/1058653341.db2.gz NZQRBHHJQWMNCS-HNNXBMFYSA-N 0 3 311.813 2.336 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC001500428523 1058777076 /nfs/dbraw/zinc/77/70/76/1058777076.db2.gz IBRIPHVKIWDXHG-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2nccc3occc32)CC1 ZINC001500436464 1058781822 /nfs/dbraw/zinc/78/18/22/1058781822.db2.gz LOOKSOKVSGTYMZ-UHFFFAOYSA-N 0 3 311.385 2.293 20 30 DEEDHN C#C[C@@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001462295323 1058795392 /nfs/dbraw/zinc/79/53/92/1058795392.db2.gz KCQJKWAJLCCXKV-UONOGXRCSA-N 0 3 310.438 2.260 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2coc(CC3CC3)n2)CC1 ZINC001500454715 1058799232 /nfs/dbraw/zinc/79/92/32/1058799232.db2.gz WTAJGKBGPGQDOT-UHFFFAOYSA-N 0 3 315.417 2.092 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001500546871 1058916438 /nfs/dbraw/zinc/91/64/38/1058916438.db2.gz JJUAZGHSRYATLA-APWZRJJASA-N 0 3 313.445 2.427 20 30 DEEDHN C=CCOCCCC(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001500611445 1058960314 /nfs/dbraw/zinc/96/03/14/1058960314.db2.gz SRWOCLCHXSLQOK-CQSZACIVSA-N 0 3 318.408 2.451 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)CCCc2ccccc2)C1 ZINC001500718185 1059037572 /nfs/dbraw/zinc/03/75/72/1059037572.db2.gz OPYLURKQAPFPMC-IBGZPJMESA-N 0 3 316.445 2.138 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C)nc(NC3CC3)c2)CC1 ZINC001464914950 1059229733 /nfs/dbraw/zinc/22/97/33/1059229733.db2.gz IQXVBEDBHCEUDN-UHFFFAOYSA-N 0 3 314.433 2.345 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC1CCOCC1 ZINC001501193733 1059362960 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C=C(C)CN1CC[C@H](NC(=O)CCCOc2cccnc2)C1 ZINC001479971332 1062129037 /nfs/dbraw/zinc/12/90/37/1062129037.db2.gz SQMQDXJCFWWZDR-HNNXBMFYSA-N 0 3 303.406 2.007 20 30 DEEDHN Cc1cccnc1CN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001479978929 1062140144 /nfs/dbraw/zinc/14/01/44/1062140144.db2.gz ZKRGSQDAVQCLFA-HOCLYGCPSA-N 0 3 312.417 2.020 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC12CCN(CC#CC)CC2 ZINC001479984152 1062144767 /nfs/dbraw/zinc/14/47/67/1062144767.db2.gz PEQHVGBOQOTTDA-AEFFLSMTSA-N 0 3 318.461 2.209 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(Cc2ccc3c(c2)CCC3)C1 ZINC001506599950 1062178184 /nfs/dbraw/zinc/17/81/84/1062178184.db2.gz JZZNUTCEMQBWGW-KBPBESRZSA-N 0 3 311.429 2.271 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)Cc2ccc(C)cc2)C1 ZINC001506644659 1062230329 /nfs/dbraw/zinc/23/03/29/1062230329.db2.gz XRSFJRANXOGBED-MRXNPFEDSA-N 0 3 316.445 2.177 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@H]1C ZINC001480099825 1062326299 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C=CCN1CCCC[C@@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480334630 1062673938 /nfs/dbraw/zinc/67/39/38/1062673938.db2.gz GDVYKGGQBXSMLA-GOSISDBHSA-N 0 3 315.461 2.275 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001480369538 1062725794 /nfs/dbraw/zinc/72/57/94/1062725794.db2.gz MGIPODUVMXJSKD-MSOLQXFVSA-N 0 3 318.461 2.282 20 30 DEEDHN CC[C@H](N[C@H](CO)CNC(=O)C#CC(C)C)c1ccc(F)cc1 ZINC001507189177 1062963751 /nfs/dbraw/zinc/96/37/51/1062963751.db2.gz KRSANAJOOPJEEQ-IRXDYDNUSA-N 0 3 320.408 2.003 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@H]1CCc2c1cccc2F ZINC001507205870 1062972601 /nfs/dbraw/zinc/97/26/01/1062972601.db2.gz GCZJKGZYLCYMCG-DYVFJYSZSA-N 0 3 320.408 2.236 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CO)NCc1cc(C)ccc1C ZINC001507235577 1062990395 /nfs/dbraw/zinc/99/03/95/1062990395.db2.gz VNDDFQCDTJNHHK-MJGOQNOKSA-N 0 3 318.461 2.472 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1ccccc1OCC(C)C ZINC001480556393 1063028427 /nfs/dbraw/zinc/02/84/27/1063028427.db2.gz 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324.371 2.309 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cccc(Cl)c2)C1 ZINC001569761727 1065711439 /nfs/dbraw/zinc/71/14/39/1065711439.db2.gz OBKIKLZDIREUHF-INIZCTEOSA-N 0 3 308.809 2.083 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CCN2CCOCC1CC1 ZINC001569906173 1065805900 /nfs/dbraw/zinc/80/59/00/1065805900.db2.gz IFNVOHHIXMGHMY-ROUUACIJSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@H]2[C@H]1CCN2CC#CC ZINC001569908084 1065811172 /nfs/dbraw/zinc/81/11/72/1065811172.db2.gz YIIGGHIWQGVXGI-DLBZAZTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001497092641 1065889923 /nfs/dbraw/zinc/88/99/23/1065889923.db2.gz GBXLVMPIIYXWLW-RDJZCZTQSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN1CCC2(CN(C(=O)C(C)(C)C(C)C)C2)CC1 ZINC001570052263 1065903560 /nfs/dbraw/zinc/90/35/60/1065903560.db2.gz OMQLKHXCHXUPSU-UHFFFAOYSA-N 0 3 320.477 2.243 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCC(=O)NC2CCCC2)CCC1 ZINC001570106804 1065927150 /nfs/dbraw/zinc/92/71/50/1065927150.db2.gz KVBOBLGVIZONQL-UHFFFAOYSA-N 0 3 321.465 2.030 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(C3=CCCC3)cc2)CCO1 ZINC001570164894 1065945450 /nfs/dbraw/zinc/94/54/50/1065945450.db2.gz AHCGMBGASIJFQF-IBGZPJMESA-N 0 3 324.424 2.318 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC(F)(F)F)C2 ZINC001570272806 1065999706 /nfs/dbraw/zinc/99/97/06/1065999706.db2.gz ISDANPLPGTULFK-CQSZACIVSA-N 0 3 302.340 2.277 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)[C@H](NCC(=O)Nc2ccccc2)C1 ZINC001570335455 1066017802 /nfs/dbraw/zinc/01/78/02/1066017802.db2.gz YHJACOPYQORVSH-GOEBONIOSA-N 0 3 315.417 2.028 20 30 DEEDHN C#CCNCCN(CC)C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001497403770 1066075311 /nfs/dbraw/zinc/07/53/11/1066075311.db2.gz NZVALWPZEDTCII-WMZOPIPTSA-N 0 3 314.429 2.260 20 30 DEEDHN C#CCCCCC(=O)N1CCC2(CC1)CN(C(C)C)CCO2 ZINC001570481098 1066090297 /nfs/dbraw/zinc/09/02/97/1066090297.db2.gz LTXARLVMGYLEBB-UHFFFAOYSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)CC ZINC001570505306 1066100207 /nfs/dbraw/zinc/10/02/07/1066100207.db2.gz XGJVVOOTAGZUEZ-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CC(C)[C@H]1N(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC12CC=CC2 ZINC001575519297 1066328617 /nfs/dbraw/zinc/32/86/17/1066328617.db2.gz BBZNLRWVDPCGCG-BWRBCVJASA-N 0 3 313.445 2.329 20 30 DEEDHN C[C@@H](CNCc1ccccc1OC1CC1)NC(=O)C#CC1CC1 ZINC001498040765 1066474752 /nfs/dbraw/zinc/47/47/52/1066474752.db2.gz ZEMZYYAVGLWYQG-AWEZNQCLSA-N 0 3 312.413 2.236 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCCO1 ZINC001498260299 1066601278 /nfs/dbraw/zinc/60/12/78/1066601278.db2.gz YPNKLQAXLWKKHF-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1ccccc1OCCN(C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001498277854 1066611325 /nfs/dbraw/zinc/61/13/25/1066611325.db2.gz ZMKMCDYOTQZYDM-QGZVFWFLSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1noc2ccc(F)cc12 ZINC001498403563 1066683940 /nfs/dbraw/zinc/68/39/40/1066683940.db2.gz BDHPJLJQEKJMHU-NSHDSACASA-N 0 3 305.353 2.132 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)CN(C)CCC ZINC001577418535 1066837767 /nfs/dbraw/zinc/83/77/67/1066837767.db2.gz OWJAUYKLEGXDJC-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C(F)(F)C1CCOCC1 ZINC001634641087 1078434148 /nfs/dbraw/zinc/43/41/48/1078434148.db2.gz VJRNUXHKARTNHJ-UHFFFAOYSA-N 0 3 304.381 2.015 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CN[C@H](C)c1n[nH]c(CC)n1)C1CC1 ZINC001498801523 1066897785 /nfs/dbraw/zinc/89/77/85/1066897785.db2.gz HQYFCFNOHXHFES-DGCLKSJQSA-N 0 3 319.453 2.125 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)[C@H]1CC12CC2 ZINC001498824048 1066911357 /nfs/dbraw/zinc/91/13/57/1066911357.db2.gz BLWOROVGSLHUPJ-MSOLQXFVSA-N 0 3 308.425 2.323 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001498984202 1066999511 /nfs/dbraw/zinc/99/95/11/1066999511.db2.gz LXDZXYVCXSWSJJ-CVEARBPZSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001499000581 1067012977 /nfs/dbraw/zinc/01/29/77/1067012977.db2.gz RBQNVHDWYNRERV-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001499081413 1067077016 /nfs/dbraw/zinc/07/70/16/1067077016.db2.gz AMLAVSGMRUTSJI-JTQLQIEISA-N 0 3 316.327 2.199 20 30 DEEDHN CN(C)c1nccc2cc(NC(=O)[C@H](N)CCCC#N)ccc21 ZINC001578429600 1067099385 /nfs/dbraw/zinc/09/93/85/1067099385.db2.gz CMBMDNNRECIDQQ-OAHLLOKOSA-N 0 3 311.389 2.260 20 30 DEEDHN CN(CC#N)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC001578433405 1067100547 /nfs/dbraw/zinc/10/05/47/1067100547.db2.gz QXEAYQHNZKERBR-SFHVURJKSA-N 0 3 323.396 2.117 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001499227185 1067148467 /nfs/dbraw/zinc/14/84/67/1067148467.db2.gz YKAALZPETOILCZ-KGLIPLIRSA-N 0 3 318.392 2.163 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)CN(C)C[C@@H](O)c1ccccc1 ZINC001483374428 1078491493 /nfs/dbraw/zinc/49/14/93/1078491493.db2.gz MYOPHDOPYAZJQE-SJLPKXTDSA-N 0 3 316.445 2.350 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](OC)[C@@H](C)CC)C2)CC1 ZINC001499581612 1067267243 /nfs/dbraw/zinc/26/72/43/1067267243.db2.gz CPORTRHJOQNNPU-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN CCCC(C)(C)C(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001499614714 1067279791 /nfs/dbraw/zinc/27/97/91/1067279791.db2.gz RMRHJDBZCMLRPX-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001267020564 1078506731 /nfs/dbraw/zinc/50/67/31/1078506731.db2.gz ITLJHYGXNPLRLY-WUJZJPHMSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)cc1 ZINC001480913175 1078509865 /nfs/dbraw/zinc/50/98/65/1078509865.db2.gz FXRQQFXJISBKCE-SJORKVTESA-N 0 3 302.418 2.134 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001579520036 1067358175 /nfs/dbraw/zinc/35/81/75/1067358175.db2.gz TXACPHFLHRDVOQ-AWEZNQCLSA-N 0 3 307.357 2.334 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CC(F)(F)C(F)(F)F ZINC001670734310 1078520660 /nfs/dbraw/zinc/52/06/60/1078520660.db2.gz GUNHLXRASLAMIS-VIFPVBQESA-N 0 3 300.271 2.341 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001670734851 1078529359 /nfs/dbraw/zinc/52/93/59/1078529359.db2.gz PLUOMQMFQPYUNM-UONOGXRCSA-N 0 3 318.421 2.034 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCC=C(c3ccco3)C1)C2 ZINC001580041623 1067480209 /nfs/dbraw/zinc/48/02/09/1067480209.db2.gz FUBYFOAEPGGSDA-CSLYMUCUSA-N 0 3 311.385 2.035 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC001580050902 1067483414 /nfs/dbraw/zinc/48/34/14/1067483414.db2.gz QMGZTOFPUAECSW-MRXNPFEDSA-N 0 3 323.400 2.126 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](CNCc2cnc(C)cn2)C1 ZINC001267054905 1078532334 /nfs/dbraw/zinc/53/23/34/1078532334.db2.gz HHAIHXRTZYTNQO-JKSUJKDBSA-N 0 3 316.449 2.325 20 30 DEEDHN CCN(C)[C@H]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 ZINC001637913160 1078540082 /nfs/dbraw/zinc/54/00/82/1078540082.db2.gz WEKUCDNPQJSVMJ-SCOAYWHSSA-N 0 3 300.402 2.287 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCN[C@@H](C)C(=O)NCCCC)CC1 ZINC001481277635 1079561796 /nfs/dbraw/zinc/56/17/96/1079561796.db2.gz RZEAQTYRPVOHFD-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2cnc(C)cn2)C1 ZINC001267144883 1078611536 /nfs/dbraw/zinc/61/15/36/1078611536.db2.gz IQSVJEZCNOGEGD-CYBMUJFWSA-N 0 3 302.422 2.126 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2cnc(C)cn2)C1 ZINC001267144884 1078611715 /nfs/dbraw/zinc/61/17/15/1078611715.db2.gz IQSVJEZCNOGEGD-ZDUSSCGKSA-N 0 3 302.422 2.126 20 30 DEEDHN CC(C)[C@@H](CN(C)C)NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001639635518 1078622613 /nfs/dbraw/zinc/62/26/13/1078622613.db2.gz OYIDRWSRSOHNRL-YYRKOSNBSA-N 0 3 306.381 2.110 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(OC)cc(OC)c1 ZINC001570544890 1067997342 /nfs/dbraw/zinc/99/73/42/1067997342.db2.gz GNMJNIGZFDQAOI-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC1CCCCCC1 ZINC001570594309 1068027361 /nfs/dbraw/zinc/02/73/61/1068027361.db2.gz ZOKSBTAQBLQDIZ-LSDHHAIUSA-N 0 3 323.481 2.274 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)C1C=CC=CC=C1 ZINC001570810088 1068123634 /nfs/dbraw/zinc/12/36/34/1068123634.db2.gz HZHVGGQGTDLNIB-GOSISDBHSA-N 0 3 316.445 2.199 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccccn2)C(C)(C)C1 ZINC001570899801 1068154571 /nfs/dbraw/zinc/15/45/71/1068154571.db2.gz UYRXKDGFARLKBT-MRXNPFEDSA-N 0 3 301.434 2.417 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C[C@@H](C)C2CC2)C(C)(C)C1 ZINC001570908978 1068157288 /nfs/dbraw/zinc/15/72/88/1068157288.db2.gz ALJIHXUQKZAPHQ-ZBFHGGJFSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001570954448 1068165635 /nfs/dbraw/zinc/16/56/35/1068165635.db2.gz FPKLBAYVBFSGEN-LDLYASANSA-N 0 3 324.468 2.454 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)COCCC)C[C@@H]2C1 ZINC001571015597 1068174493 /nfs/dbraw/zinc/17/44/93/1068174493.db2.gz NKSDBDUNTPRGNI-RRFJBIMHSA-N 0 3 314.857 2.382 20 30 DEEDHN CC#CCCCC(=O)N1CCC2(CO[C@@H](CNCCF)C2)CC1 ZINC001571072600 1068178782 /nfs/dbraw/zinc/17/87/82/1068178782.db2.gz CMJDIFFRGOETQG-MRXNPFEDSA-N 0 3 324.440 2.137 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC001571148644 1068186841 /nfs/dbraw/zinc/18/68/41/1068186841.db2.gz WGLGWZHTWDQTHO-AVGNSLFASA-N 0 3 308.451 2.125 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001267206032 1078664427 /nfs/dbraw/zinc/66/44/27/1078664427.db2.gz KNERNPYMDWNLOC-UHFFFAOYSA-N 0 3 315.417 2.341 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001571379874 1068263060 /nfs/dbraw/zinc/26/30/60/1068263060.db2.gz DRPYYQTWHKFGLO-LSDHHAIUSA-N 0 3 320.408 2.039 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)N[C@H]1CCc2c1cccc2F ZINC001571437566 1068292658 /nfs/dbraw/zinc/29/26/58/1068292658.db2.gz VZRAEIVVUAIYET-LRDDRELGSA-N 0 3 320.408 2.092 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)CC2CCCCC2)C1 ZINC001571469597 1068320907 /nfs/dbraw/zinc/32/09/07/1068320907.db2.gz SEIFNBNJVDURIS-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN C[C@@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)c1ccc[nH]1 ZINC001571471417 1068323638 /nfs/dbraw/zinc/32/36/38/1068323638.db2.gz RATVXZZHEZEKJB-WBVHZDCISA-N 0 3 307.397 2.259 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cn2ccc3ccccc32)C1 ZINC001571493520 1068350274 /nfs/dbraw/zinc/35/02/74/1068350274.db2.gz RVUQLEVXFZDIQV-RDJZCZTQSA-N 0 3 309.413 2.244 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001267247962 1078698186 /nfs/dbraw/zinc/69/81/86/1078698186.db2.gz ZVBPNHCHTDCQOW-UHFFFAOYSA-N 0 3 301.312 2.338 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCCc2nc(CC)no2)[C@@H]1C ZINC001571524780 1068395929 /nfs/dbraw/zinc/39/59/29/1068395929.db2.gz KGEYOAUTUYKSNG-KBPBESRZSA-N 0 3 320.437 2.110 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCC(=O)N(CC)CC)CC1 ZINC001496150895 1078711030 /nfs/dbraw/zinc/71/10/30/1078711030.db2.gz MRSOEDKYDUTCHI-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC001571656078 1068463860 /nfs/dbraw/zinc/46/38/60/1068463860.db2.gz HYFNVFCYRBYXLL-UHFFFAOYSA-N 0 3 314.433 2.058 20 30 DEEDHN Cc1nocc1CNC1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001571657138 1068464031 /nfs/dbraw/zinc/46/40/31/1068464031.db2.gz WLICCSSUEKLQOU-UHFFFAOYSA-N 0 3 303.406 2.112 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001267275855 1078722629 /nfs/dbraw/zinc/72/26/29/1078722629.db2.gz IXRNEPMXWUHEMU-JFIYKMOQSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001267276118 1078724237 /nfs/dbraw/zinc/72/42/37/1078724237.db2.gz KFMYMIUYXKWBAI-SJORKVTESA-N 0 3 318.461 2.330 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001267280188 1078726081 /nfs/dbraw/zinc/72/60/81/1078726081.db2.gz BBRWWJNEZXESRU-JKSUJKDBSA-N 0 3 300.402 2.058 20 30 DEEDHN C=CCCC(=O)NC1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001571785891 1068522542 /nfs/dbraw/zinc/52/25/42/1068522542.db2.gz VZNLYERDIPULTK-UYSNPLJNSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001483656468 1078748928 /nfs/dbraw/zinc/74/89/28/1078748928.db2.gz PBQHMXUQBHVRKT-KBPBESRZSA-N 0 3 319.453 2.192 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1cn2ccccc2n1 ZINC001483661645 1078761937 /nfs/dbraw/zinc/76/19/37/1078761937.db2.gz NDTHKJITNLDDJI-MRXNPFEDSA-N 0 3 312.417 2.034 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1nc(C(C)C)no1 ZINC001483670315 1078769247 /nfs/dbraw/zinc/76/92/47/1078769247.db2.gz NZPJUFDCENQYFT-CQSZACIVSA-N 0 3 320.437 2.282 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001572266892 1068711514 /nfs/dbraw/zinc/71/15/14/1068711514.db2.gz IFGOGSGXHMDBEV-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cc(CC)n[nH]1)c1ccccc1 ZINC001267350393 1078785131 /nfs/dbraw/zinc/78/51/31/1078785131.db2.gz DLTPRGMAXKTCAF-KRWDZBQOSA-N 0 3 310.401 2.056 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1cc(C)nn1C)c1ccccc1 ZINC001267350811 1078785361 /nfs/dbraw/zinc/78/53/61/1078785361.db2.gz JSDQIECCRKLLMP-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)C1CC(F)(F)C1 ZINC001267360525 1078792315 /nfs/dbraw/zinc/79/23/15/1078792315.db2.gz JHXIQYNWFQUTHU-UHFFFAOYSA-N 0 3 307.344 2.152 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001267370612 1078800283 /nfs/dbraw/zinc/80/02/83/1078800283.db2.gz REMIJGGBDAAXPA-RCCFBDPRSA-N 0 3 324.428 2.157 20 30 DEEDHN C=CCC[C@H]1CCCN1c1nc(NCCO)nc(NC(C)C)n1 ZINC001516125670 1068913357 /nfs/dbraw/zinc/91/33/57/1068913357.db2.gz HBWMUSDHHAXKBZ-ZDUSSCGKSA-N 0 3 320.441 2.031 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)[C@]1(C)CCOC1)c1ccccc1 ZINC001267376814 1078807432 /nfs/dbraw/zinc/80/74/32/1078807432.db2.gz JNALBHXMYZGITF-SJLPKXTDSA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001573090738 1068936312 /nfs/dbraw/zinc/93/63/12/1068936312.db2.gz REPLKDPEOBUQTG-BZUAXINKSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1C[C@@H](F)CN1 ZINC001573308054 1068983366 /nfs/dbraw/zinc/98/33/66/1068983366.db2.gz PIVFGOFATHEGCH-HUUCEWRRSA-N 0 3 308.401 2.069 20 30 DEEDHN C=CC[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccncc1 ZINC001518995592 1069026049 /nfs/dbraw/zinc/02/60/49/1069026049.db2.gz FBELQQDIHVMVAA-JKSUJKDBSA-N 0 3 302.422 2.482 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001272360845 1078831692 /nfs/dbraw/zinc/83/16/92/1078831692.db2.gz QPXHIGWAPTYUOH-KGLIPLIRSA-N 0 3 310.829 2.025 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2cnc(C)s2)cc1 ZINC001267411623 1078833654 /nfs/dbraw/zinc/83/36/54/1078833654.db2.gz HVBAHQYQOPSHPV-UHFFFAOYSA-N 0 3 313.426 2.295 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)CC1 ZINC001520435378 1069137602 /nfs/dbraw/zinc/13/76/02/1069137602.db2.gz XBWAIDPHFZXWNC-SJORKVTESA-N 0 3 306.450 2.227 20 30 DEEDHN C#CCOc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC001574735128 1069249375 /nfs/dbraw/zinc/24/93/75/1069249375.db2.gz BJILTZCZISSXHP-IBGZPJMESA-N 0 3 320.392 2.202 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001267465598 1078878774 /nfs/dbraw/zinc/87/87/74/1078878774.db2.gz HYGROQPJKHZVFO-KRWDZBQOSA-N 0 3 324.428 2.464 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC001574852647 1069278053 /nfs/dbraw/zinc/27/80/53/1069278053.db2.gz XMXBEUANQOSWMH-OLZOCXBDSA-N 0 3 310.781 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCN1c2ccccc2CC[C@@H]1C ZINC001574857131 1069279699 /nfs/dbraw/zinc/27/96/99/1069279699.db2.gz MBPAYRSJLAEKCE-ZFWWWQNUSA-N 0 3 321.852 2.414 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N[C@H](CC)Cc1cn(C)c2ccccc12 ZINC001574963628 1069308681 /nfs/dbraw/zinc/30/86/81/1069308681.db2.gz WZHIAGZHLHBDNK-NVXWUHKLSA-N 0 3 311.429 2.356 20 30 DEEDHN CCCCCCCN1CCC[C@]12CCN([C@H](CC)C(N)=O)C2=O ZINC001272478354 1078912656 /nfs/dbraw/zinc/91/26/56/1078912656.db2.gz JFTWEKXNKPFGFJ-CRAIPNDOSA-N 0 3 323.481 2.288 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1N(C)C ZINC001645572086 1078922479 /nfs/dbraw/zinc/92/24/79/1078922479.db2.gz OBNBSUDYKPJIST-GJZGRUSLSA-N 0 3 321.446 2.018 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)CC(C)(C)C2CC2)C1 ZINC001267523987 1078953140 /nfs/dbraw/zinc/95/31/40/1078953140.db2.gz MUCSKQJJSJEXLI-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H]2C[C@H]2OCC)c(F)c1 ZINC001279703486 1078964249 /nfs/dbraw/zinc/96/42/49/1078964249.db2.gz GOCLMRCMIUBGIO-GOEBONIOSA-N 0 3 306.381 2.143 20 30 DEEDHN C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001267537141 1078967668 /nfs/dbraw/zinc/96/76/68/1078967668.db2.gz GCZKCNRXAJEAEZ-OAHLLOKOSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001267537141 1078967676 /nfs/dbraw/zinc/96/76/76/1078967676.db2.gz GCZKCNRXAJEAEZ-OAHLLOKOSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccn(C)c2C)C1 ZINC001267547646 1078978758 /nfs/dbraw/zinc/97/87/58/1078978758.db2.gz ZATIOJTVQNVMLJ-INIZCTEOSA-N 0 3 301.434 2.283 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1OCC ZINC001272613429 1079012948 /nfs/dbraw/zinc/01/29/48/1079012948.db2.gz JFTLRZKOAGEIEG-IAGOWNOFSA-N 0 3 312.413 2.284 20 30 DEEDHN CN1CC[C@]2(CCN(Cc3cc(C#N)ccc3Cl)C2)C1=O ZINC001272620862 1079016582 /nfs/dbraw/zinc/01/65/82/1079016582.db2.gz BPPKWSJCKDJFSY-MRXNPFEDSA-N 0 3 303.793 2.266 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC001483768870 1079094350 /nfs/dbraw/zinc/09/43/50/1079094350.db2.gz PCWLDYAOJQSXFX-AWEZNQCLSA-N 0 3 302.393 2.266 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001481033761 1079099105 /nfs/dbraw/zinc/09/91/05/1079099105.db2.gz WTURAFDMIIPFTI-RDTXWAMCSA-N 0 3 311.429 2.416 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2cccnc2OC)C1 ZINC001649442884 1079121072 /nfs/dbraw/zinc/12/10/72/1079121072.db2.gz NTDYKMCJGMVVFP-CQSZACIVSA-N 0 3 317.433 2.431 20 30 DEEDHN N#CCOc1cccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC001649449304 1079124650 /nfs/dbraw/zinc/12/46/50/1079124650.db2.gz SNXOXNYDTJHJPY-UHFFFAOYSA-N 0 3 308.341 2.461 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCOC ZINC001483811894 1079137181 /nfs/dbraw/zinc/13/71/81/1079137181.db2.gz FJGYTCHWKUWFFG-BBWFWOEESA-N 0 3 306.450 2.138 20 30 DEEDHN CCC(C)(CC)C(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001483848544 1079149790 /nfs/dbraw/zinc/14/97/90/1079149790.db2.gz TWFOXLJWVPPOGZ-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN CC(C)c1cccc(CN2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001481082088 1079163871 /nfs/dbraw/zinc/16/38/71/1079163871.db2.gz BBDBSXTZJLKBKB-LSDHHAIUSA-N 0 3 314.433 2.303 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cnc(C)cn2)C[C@@H]1C ZINC001483898303 1079170747 /nfs/dbraw/zinc/17/07/47/1079170747.db2.gz IJDJAKLSBKBJLQ-LSDHHAIUSA-N 0 3 302.422 2.220 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001481095507 1079178793 /nfs/dbraw/zinc/17/87/93/1079178793.db2.gz KAIWZBDZKMNNTA-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)COc2ccc(F)cc2)CC1 ZINC001483975641 1079221909 /nfs/dbraw/zinc/22/19/09/1079221909.db2.gz MNAWKPBOBGRHPB-UHFFFAOYSA-N 0 3 306.381 2.361 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CCc2nccs2)CC1 ZINC001483975060 1079220622 /nfs/dbraw/zinc/22/06/22/1079220622.db2.gz BFRZAWIAKPGULU-UHFFFAOYSA-N 0 3 305.447 2.070 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)OC)C1CCN(Cc2ccccc2)CC1 ZINC001483980315 1079223692 /nfs/dbraw/zinc/22/36/92/1079223692.db2.gz IPGWTVSGERZCNN-MRXNPFEDSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001481124267 1079223832 /nfs/dbraw/zinc/22/38/32/1079223832.db2.gz OEWKNQPFIJLWHU-QWHCGFSZSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C(=O)[C@H](C)OC)C1CCN(Cc2ccccc2)CC1 ZINC001483980313 1079224064 /nfs/dbraw/zinc/22/40/64/1079224064.db2.gz IPGWTVSGERZCNN-INIZCTEOSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001566612958 1074189704 /nfs/dbraw/zinc/18/97/04/1074189704.db2.gz OCWGQRAFTKCGIB-UHFFFAOYSA-N 0 3 318.465 2.408 20 30 DEEDHN C#CCN(C(=O)Cc1ccc[nH]1)C1CCN(CC=C(C)C)CC1 ZINC001483989700 1079228110 /nfs/dbraw/zinc/22/81/10/1079228110.db2.gz SVKORZHVZPAMLB-UHFFFAOYSA-N 0 3 313.445 2.450 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC001481152999 1079262688 /nfs/dbraw/zinc/26/26/88/1079262688.db2.gz OKACKNFFMAIWJA-INIZCTEOSA-N 0 3 302.418 2.224 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@@H](F)Cc1ccccc1 ZINC001481155403 1079263907 /nfs/dbraw/zinc/26/39/07/1079263907.db2.gz YUEXTCNHTLMJGO-KRWDZBQOSA-N 0 3 304.409 2.419 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001484040647 1079267264 /nfs/dbraw/zinc/26/72/64/1079267264.db2.gz ADSYNJCLXFKLPU-IRXDYDNUSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCCCN1CCC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001267618696 1079278056 /nfs/dbraw/zinc/27/80/56/1079278056.db2.gz VXWCYNOWZVZXSH-GFCCVEGCSA-N 0 3 321.446 2.007 20 30 DEEDHN CCn1nccc1[C@H]1OCCC[C@@H]1C=Nn1c(C)nnc1C ZINC001552453407 1074579983 /nfs/dbraw/zinc/57/99/83/1074579983.db2.gz OHZKWKJPVOOAID-HIFRSBDPSA-N 0 3 302.382 2.113 20 30 DEEDHN Cc1cnc(CNC[C@]2(C)CCN(C(=O)C#CC3CC3)C2)s1 ZINC001484092449 1079299095 /nfs/dbraw/zinc/29/90/95/1079299095.db2.gz AQVLXGMSESGDNG-KRWDZBQOSA-N 0 3 317.458 2.193 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001484140955 1079324871 /nfs/dbraw/zinc/32/48/71/1079324871.db2.gz QHZPMBJMBIRQFE-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ccc(COC)o2)C1 ZINC001484163600 1079338056 /nfs/dbraw/zinc/33/80/56/1079338056.db2.gz SHSLZRNGTDZEII-QGZVFWFLSA-N 0 3 306.406 2.444 20 30 DEEDHN CC1(C#N)CCN(C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001647450240 1074931069 /nfs/dbraw/zinc/93/10/69/1074931069.db2.gz WIMCWMROQHYIAG-IAGOWNOFSA-N 0 3 302.418 2.487 20 30 DEEDHN C[C@H](CC#N)N(C)c1nnc(C2CCN(C)CC2)n1CC1CC1 ZINC001649296696 1075022846 /nfs/dbraw/zinc/02/28/46/1075022846.db2.gz PWCGXUXKQSAMEK-CYBMUJFWSA-N 0 3 316.453 2.236 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c2nc[nH]c2ccc1F ZINC001556467008 1075032518 /nfs/dbraw/zinc/03/25/18/1075032518.db2.gz WDCXARRRNXUYKM-UHFFFAOYSA-N 0 3 304.369 2.282 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c2[nH]cnc2ccc1F ZINC001556467008 1075032522 /nfs/dbraw/zinc/03/25/22/1075032522.db2.gz WDCXARRRNXUYKM-UHFFFAOYSA-N 0 3 304.369 2.282 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001567920287 1075109636 /nfs/dbraw/zinc/10/96/36/1075109636.db2.gz AUKICDJFFHKYSI-WBVHZDCISA-N 0 3 304.438 2.018 20 30 DEEDHN C=CCN(C)CCN(CC)c1nc(C2CCOCC2)ns1 ZINC001559224399 1075115689 /nfs/dbraw/zinc/11/56/89/1075115689.db2.gz YRLUGUFUGNWIPY-UHFFFAOYSA-N 0 3 310.467 2.376 20 30 DEEDHN C#CC1(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CCCC1 ZINC001563634405 1075169319 /nfs/dbraw/zinc/16/93/19/1075169319.db2.gz RNSXOSBOQKKLIU-KRWDZBQOSA-N 0 3 313.445 2.405 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@@H]1CC ZINC001566008861 1075215664 /nfs/dbraw/zinc/21/56/64/1075215664.db2.gz QOJHOERNAPFXDI-LSDHHAIUSA-N 0 3 308.447 2.420 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](C)Cc2ccco2)[C@H]1C ZINC001566106075 1075229107 /nfs/dbraw/zinc/22/91/07/1075229107.db2.gz CHMVMFWOYUHNKT-INMHGKMJSA-N 0 3 320.433 2.240 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001566387919 1075242386 /nfs/dbraw/zinc/24/23/86/1075242386.db2.gz JKXAXWWFYMAKFO-MRXNPFEDSA-N 0 3 306.356 2.459 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C2CCN(CCOCC)CC2)cc1 ZINC001566610906 1075296644 /nfs/dbraw/zinc/29/66/44/1075296644.db2.gz ROQXIVNJDLSDBI-UHFFFAOYSA-N 0 3 314.429 2.241 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(F)c3occc32)C1 ZINC001566778464 1075342147 /nfs/dbraw/zinc/34/21/47/1075342147.db2.gz GVYHHLRAHZIRAY-LBPRGKRZSA-N 0 3 300.333 2.399 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](NCc2cncs2)C1)OCC ZINC001566841812 1075358314 /nfs/dbraw/zinc/35/83/14/1075358314.db2.gz HAHUQEXZKMFZQR-GUTXKFCHSA-N 0 3 323.462 2.251 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566848148 1075361421 /nfs/dbraw/zinc/36/14/21/1075361421.db2.gz DOHFUJFGUOKWAD-IXDOHACOSA-N 0 3 320.383 2.408 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CN[C@@H](C)c2cnccn2)C1 ZINC001566892452 1075374985 /nfs/dbraw/zinc/37/49/85/1075374985.db2.gz NMZBWBNNMYMPPU-HOTGVXAUSA-N 0 3 314.433 2.169 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001566927897 1075389687 /nfs/dbraw/zinc/38/96/87/1075389687.db2.gz ZDQZHCXGMFBBIL-QGZVFWFLSA-N 0 3 301.434 2.343 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCCC[C@H]2CNC[C@@H](F)CC)c1 ZINC001566946699 1075395883 /nfs/dbraw/zinc/39/58/83/1075395883.db2.gz VBXUMGATWVNOCS-IRXDYDNUSA-N 0 3 317.408 2.395 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001567004929 1075414321 /nfs/dbraw/zinc/41/43/21/1075414321.db2.gz WEQJEXVGPFWVMV-FJVVXJACSA-N 0 3 323.481 2.108 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CCC1CCCCCC1 ZINC001567035128 1075420586 /nfs/dbraw/zinc/42/05/86/1075420586.db2.gz BBPAYWWCYKFMLJ-INIZCTEOSA-N 0 3 308.466 2.481 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001567042657 1075421515 /nfs/dbraw/zinc/42/15/15/1075421515.db2.gz WZFCXUOPDQHKOL-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2nnc(C)[nH]2)C1 ZINC001567171059 1075451660 /nfs/dbraw/zinc/45/16/60/1075451660.db2.gz BPVXRYNXWHYQHV-KBPBESRZSA-N 0 3 319.453 2.232 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001567192370 1075459765 /nfs/dbraw/zinc/45/97/65/1075459765.db2.gz YFZBPCODIKEFHL-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2ocnc2C)cc1 ZINC001567224406 1075467970 /nfs/dbraw/zinc/46/79/70/1075467970.db2.gz DEDLEEHQCFVPFO-ZDUSSCGKSA-N 0 3 311.385 2.263 20 30 DEEDHN COCC(=O)NCCC[C@H]1CCCN1Cc1ccccc1C#N ZINC001567241200 1075471266 /nfs/dbraw/zinc/47/12/66/1075471266.db2.gz DUOVTAQHRPLJJE-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(CCc2scnc2C)C1 ZINC001267728719 1079420262 /nfs/dbraw/zinc/42/02/62/1079420262.db2.gz HTGLMMMPTWGREG-HNNXBMFYSA-N 0 3 319.474 2.378 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001267737892 1079431082 /nfs/dbraw/zinc/43/10/82/1079431082.db2.gz HPHYQBJQYJOTCV-MRXNPFEDSA-N 0 3 313.401 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001580375474 1075912713 /nfs/dbraw/zinc/91/27/13/1075912713.db2.gz HZKAFPARGXNSFA-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)C(=O)C1(N(C)C)CCC1 ZINC001581188268 1076048364 /nfs/dbraw/zinc/04/83/64/1076048364.db2.gz ANTVQLOOMKBHKD-QGZVFWFLSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001585857761 1076375002 /nfs/dbraw/zinc/37/50/02/1076375002.db2.gz OCEUHIHILRMMLK-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(CNC(=O)CN(C)C(C)C)CC1 ZINC001586106975 1076389943 /nfs/dbraw/zinc/38/99/43/1076389943.db2.gz BFZNOKBYRDYLOD-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@H](O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001588052174 1076434029 /nfs/dbraw/zinc/43/40/29/1076434029.db2.gz WYQATMHFSUYJRD-SJORKVTESA-N 0 3 302.418 2.046 20 30 DEEDHN C#Cc1ccc(C[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588374035 1076444473 /nfs/dbraw/zinc/44/44/73/1076444473.db2.gz ZNTCNNLCIMVZOG-UHFFFAOYSA-N 0 3 303.369 2.180 20 30 DEEDHN C#Cc1ccc(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588374035 1076444477 /nfs/dbraw/zinc/44/44/77/1076444477.db2.gz ZNTCNNLCIMVZOG-UHFFFAOYSA-N 0 3 303.369 2.180 20 30 DEEDHN C=CCCC(C)(C)[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001588578166 1076455565 /nfs/dbraw/zinc/45/55/65/1076455565.db2.gz XSWFNSIXUPAJTO-UHFFFAOYSA-N 0 3 311.393 2.349 20 30 DEEDHN C=CCCC(C)(C)[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001588578166 1076455569 /nfs/dbraw/zinc/45/55/69/1076455569.db2.gz XSWFNSIXUPAJTO-UHFFFAOYSA-N 0 3 311.393 2.349 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCO[C@H]1C ZINC001588648110 1076459244 /nfs/dbraw/zinc/45/92/44/1076459244.db2.gz GXRPQURRPWFEEJ-BBRMVZONSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCO[C@H]1C ZINC001588648110 1076459249 /nfs/dbraw/zinc/45/92/49/1076459249.db2.gz GXRPQURRPWFEEJ-BBRMVZONSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCO[C@H]1C ZINC001588648110 1076459251 /nfs/dbraw/zinc/45/92/51/1076459251.db2.gz GXRPQURRPWFEEJ-BBRMVZONSA-N 0 3 313.405 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCO[C@H]1C ZINC001588648110 1076459253 /nfs/dbraw/zinc/45/92/53/1076459253.db2.gz GXRPQURRPWFEEJ-BBRMVZONSA-N 0 3 313.405 2.280 20 30 DEEDHN C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961161 1076536817 /nfs/dbraw/zinc/53/68/17/1076536817.db2.gz BNEXHLRXXWNRES-PNESKVBLSA-N 0 3 311.393 2.242 20 30 DEEDHN C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589961161 1076536821 /nfs/dbraw/zinc/53/68/21/1076536821.db2.gz BNEXHLRXXWNRES-PNESKVBLSA-N 0 3 311.393 2.242 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@@H](C)COC)NCC#Cc1ccccc1 ZINC001267824135 1079517684 /nfs/dbraw/zinc/51/76/84/1079517684.db2.gz XLOGEGDIPIPVTN-AEFFLSMTSA-N 0 3 316.445 2.195 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)Cc1occc1C ZINC001484399811 1079592222 /nfs/dbraw/zinc/59/22/22/1079592222.db2.gz BJJLQXZZKRZZDE-UHFFFAOYSA-N 0 3 310.397 2.382 20 30 DEEDHN C=C[C@H](C(=O)N[C@@]1(CO)CCCN(C(C)C)C1)c1ccccc1 ZINC001484449430 1079612744 /nfs/dbraw/zinc/61/27/44/1079612744.db2.gz FAHUUQFBPMQGJW-HKUYNNGSSA-N 0 3 316.445 2.308 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@H]1C ZINC001283968951 1079638910 /nfs/dbraw/zinc/63/89/10/1079638910.db2.gz MPORYFPQFNTNOB-KGLIPLIRSA-N 0 3 305.447 2.334 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CC1(F)F ZINC001484554299 1079657256 /nfs/dbraw/zinc/65/72/56/1079657256.db2.gz SWBACCDDPGNTFG-OAHLLOKOSA-N 0 3 306.356 2.413 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)n2cccn2)cc1 ZINC001484560656 1079660706 /nfs/dbraw/zinc/66/07/06/1079660706.db2.gz RBCBGFUKJHSGAM-HZPDHXFCSA-N 0 3 324.428 2.434 20 30 DEEDHN C[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1cnn(C)c1 ZINC001650521504 1079689098 /nfs/dbraw/zinc/68/90/98/1079689098.db2.gz UTZDSNOCLMMKOY-CABZTGNLSA-N 0 3 304.300 2.463 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(-c3ccccc3)on2)CCC1 ZINC001484641828 1079700388 /nfs/dbraw/zinc/70/03/88/1079700388.db2.gz CMYNQQWPCSIWHM-UHFFFAOYSA-N 0 3 309.369 2.217 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2cccc(OC)c2)CCC1 ZINC001484642734 1079701472 /nfs/dbraw/zinc/70/14/72/1079701472.db2.gz MCXRQHMGCLUIEO-UHFFFAOYSA-N 0 3 314.429 2.280 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CC[C@@H](C)C2)CCC1 ZINC001484647016 1079704213 /nfs/dbraw/zinc/70/42/13/1079704213.db2.gz BAYQLVMNMKCOFC-HZPDHXFCSA-N 0 3 306.450 2.091 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc3cc(OC)ccc3[nH]2)CCC1 ZINC001484648385 1079713725 /nfs/dbraw/zinc/71/37/25/1079713725.db2.gz AETUINBHUXTBAX-UHFFFAOYSA-N 0 3 311.385 2.052 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC1(CNC(=O)C(C)(C)C)CCC1 ZINC001484659220 1079714959 /nfs/dbraw/zinc/71/49/59/1079714959.db2.gz CSLLBMPMVCDTJA-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2ccccc2)CCC1 ZINC001484662591 1079716540 /nfs/dbraw/zinc/71/65/40/1079716540.db2.gz MNYTVWPHCMGVRE-UHFFFAOYSA-N 0 3 300.402 2.107 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2CCCC[C@H]2C)CCC1 ZINC001484665011 1079718305 /nfs/dbraw/zinc/71/83/05/1079718305.db2.gz YQUNJWAVLGDZJG-IAGOWNOFSA-N 0 3 320.477 2.481 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccc(C(F)(F)F)s1 ZINC001481321775 1079719112 /nfs/dbraw/zinc/71/91/12/1079719112.db2.gz DZFSQKLEDKUNKO-UHFFFAOYSA-N 0 3 304.337 2.452 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@H](CC)c2ccccc2)CCO1 ZINC001484693739 1079725394 /nfs/dbraw/zinc/72/53/94/1079725394.db2.gz JFKUPZDNSSVECD-WMZOPIPTSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)CC3CCC3)C2)CC1 ZINC001484701573 1079728618 /nfs/dbraw/zinc/72/86/18/1079728618.db2.gz JFBZKXWPKAHCHF-SFHVURJKSA-N 0 3 319.493 2.361 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 ZINC001484711002 1079734732 /nfs/dbraw/zinc/73/47/32/1079734732.db2.gz XAFBYESTKOMUFV-TZMCWYRMSA-N 0 3 318.421 2.176 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC001484726488 1079749369 /nfs/dbraw/zinc/74/93/69/1079749369.db2.gz MWKNMFRBRLNDJD-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(NCc2ccc(CC)cc2)CC1 ZINC001670772175 1079757339 /nfs/dbraw/zinc/75/73/39/1079757339.db2.gz PGHLIPVDYYITSA-GOSISDBHSA-N 0 3 316.445 2.315 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001481399270 1079784210 /nfs/dbraw/zinc/78/42/10/1079784210.db2.gz ABHBVCMKCRNOBW-ARFHVFGLSA-N 0 3 316.449 2.402 20 30 DEEDHN Cc1nc(C)c(CNC2(C)CCN(C(=O)C#CC(C)C)CC2)o1 ZINC001484916075 1079851204 /nfs/dbraw/zinc/85/12/04/1079851204.db2.gz JOCDNXFMIJAGNY-UHFFFAOYSA-N 0 3 317.433 2.422 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001485027906 1079920439 /nfs/dbraw/zinc/92/04/39/1079920439.db2.gz FVVOUKAWPMXGTK-QAQDUYKDSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC001653274395 1079922772 /nfs/dbraw/zinc/92/27/72/1079922772.db2.gz DFQADFRUINRCIU-INIZCTEOSA-N 0 3 324.465 2.466 20 30 DEEDHN C#C[C@H](NCCc1cccc2c1OC(F)(F)O2)[C@H]1CCCO1 ZINC001653348755 1079925933 /nfs/dbraw/zinc/92/59/33/1079925933.db2.gz HKXRSKRYTFALFA-QWHCGFSZSA-N 0 3 309.312 2.321 20 30 DEEDHN CN(Cc1ccc2nonc2c1)C[C@H](O)c1cccc(C#N)c1 ZINC001654148947 1079955361 /nfs/dbraw/zinc/95/53/61/1079955361.db2.gz QEVARYSPPIOCBY-KRWDZBQOSA-N 0 3 308.341 2.260 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001481499017 1079956260 /nfs/dbraw/zinc/95/62/60/1079956260.db2.gz UQRPXBPSJGXRNS-MRXNPFEDSA-N 0 3 316.449 2.422 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccnn2C2CCC2)C1 ZINC001485092041 1079976107 /nfs/dbraw/zinc/97/61/07/1079976107.db2.gz JTLFODNGFGJHRX-UHFFFAOYSA-N 0 3 322.840 2.459 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(C)cc(OC)c2C)CCC1 ZINC001673185683 1079977107 /nfs/dbraw/zinc/97/71/07/1079977107.db2.gz PCAOPWZBSRECTE-UHFFFAOYSA-N 0 3 300.402 2.187 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C=C1CCCCC1 ZINC001268056259 1079983822 /nfs/dbraw/zinc/98/38/22/1079983822.db2.gz VQDKUQGNOGBATB-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN N#CCSCC(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001481523134 1079994694 /nfs/dbraw/zinc/99/46/94/1079994694.db2.gz SBQYXSZTDSNJTP-OAHLLOKOSA-N 0 3 307.463 2.324 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCN2C[C@H]2CCOC2)CCC1 ZINC001656089792 1080038545 /nfs/dbraw/zinc/03/85/45/1080038545.db2.gz WWAVUZVRIGSJID-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(C)no2)[C@@H](C)C1 ZINC001268131029 1080098408 /nfs/dbraw/zinc/09/84/08/1080098408.db2.gz XJUGNARTUSWVPS-BBRMVZONSA-N 0 3 303.406 2.113 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccncc2F)[C@H]1CC ZINC001656696338 1080114757 /nfs/dbraw/zinc/11/47/57/1080114757.db2.gz DVCUVERCKYQOFF-JKSUJKDBSA-N 0 3 321.396 2.006 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1CCNCc1ccn(C)n1 ZINC001268149004 1080121209 /nfs/dbraw/zinc/12/12/09/1080121209.db2.gz NAHLPZRXANMFNN-QGZVFWFLSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC001656784481 1080124504 /nfs/dbraw/zinc/12/45/04/1080124504.db2.gz RPPRJNCKUHUKPR-LBPRGKRZSA-N 0 3 322.371 2.046 20 30 DEEDHN C#CCC[C@H](O)CNCc1cnn(Cc2ccccc2Cl)c1 ZINC001657910856 1080189871 /nfs/dbraw/zinc/18/98/71/1080189871.db2.gz GNSKYLGIHNRVLP-INIZCTEOSA-N 0 3 317.820 2.449 20 30 DEEDHN COCC#CCN(Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC001659680498 1080246762 /nfs/dbraw/zinc/24/67/62/1080246762.db2.gz OAXGTNYAPFKXRW-MRXNPFEDSA-N 0 3 305.418 2.308 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(CCc2ccnn2C)C1 ZINC001485521311 1080279538 /nfs/dbraw/zinc/27/95/38/1080279538.db2.gz BOUNSZJMDKHXDC-RDTXWAMCSA-N 0 3 318.465 2.001 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001481672019 1080282893 /nfs/dbraw/zinc/28/28/93/1080282893.db2.gz MNYSYPKDEDZWCY-BQFCYCMXSA-N 0 3 306.450 2.179 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)n[nH]1 ZINC001481678121 1080291702 /nfs/dbraw/zinc/29/17/02/1080291702.db2.gz NUMLQHFTXDWXPM-QWRGUYRKSA-N 0 3 310.348 2.212 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cnc[nH]1 ZINC001481681868 1080292127 /nfs/dbraw/zinc/29/21/27/1080292127.db2.gz SFVODXQOYZECTP-KKUMJFAQSA-N 0 3 316.449 2.327 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001485552631 1080293179 /nfs/dbraw/zinc/29/31/79/1080293179.db2.gz HXXCFPZMICHQIP-YJBOKZPZSA-N 0 3 306.450 2.445 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(CCC[C@H]2CCOC2)C1 ZINC001481688899 1080306661 /nfs/dbraw/zinc/30/66/61/1080306661.db2.gz YDTVTDFLZBTVKY-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001481695593 1080313294 /nfs/dbraw/zinc/31/32/94/1080313294.db2.gz BNBBOMFFLAEUIU-INIZCTEOSA-N 0 3 309.413 2.314 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCO)CC2(C)C)CCCCC1 ZINC001485586930 1080317070 /nfs/dbraw/zinc/31/70/70/1080317070.db2.gz RPTBJQDEGRHZLW-MRXNPFEDSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3c(C)noc3CC)C[C@H]21 ZINC001485594114 1080320654 /nfs/dbraw/zinc/32/06/54/1080320654.db2.gz HWKGDOPJMCZRPJ-MKZZRHPPSA-N 0 3 317.433 2.306 20 30 DEEDHN C=CC1(CC(=O)NC[C@H](O)CNC/C=C/Cl)CCCCC1 ZINC001268327869 1080330547 /nfs/dbraw/zinc/33/05/47/1080330547.db2.gz KVPGEUUUQTXPCH-VIIAAUOXSA-N 0 3 314.857 2.332 20 30 DEEDHN CCN(CCCNC(=O)C#CC1CC1)Cc1ccc(Cl)nc1 ZINC001660525172 1080351017 /nfs/dbraw/zinc/35/10/17/1080351017.db2.gz RHHUAKZMHLPHPJ-UHFFFAOYSA-N 0 3 319.836 2.477 20 30 DEEDHN COCC#CCN(CCCNC(=O)c1ccc(Cl)o1)C1CC1 ZINC001660649947 1080372883 /nfs/dbraw/zinc/37/28/83/1080372883.db2.gz IIRHBSDEUHQPGB-UHFFFAOYSA-N 0 3 324.808 2.167 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001268368692 1080379597 /nfs/dbraw/zinc/37/95/97/1080379597.db2.gz JNBGHOYAFAFCAI-JTQLQIEISA-N 0 3 321.812 2.117 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001660784463 1080396031 /nfs/dbraw/zinc/39/60/31/1080396031.db2.gz WAWQLRHKURNSBN-ZSHCYNCHSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2ccc(OC)o2)CC1 ZINC001660792004 1080397632 /nfs/dbraw/zinc/39/76/32/1080397632.db2.gz YIDYSQAUYUEHRC-UHFFFAOYSA-N 0 3 322.405 2.027 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001481732000 1080400107 /nfs/dbraw/zinc/40/01/07/1080400107.db2.gz DWIZXCPISWTYTP-CZUORRHYSA-N 0 3 316.449 2.076 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)CCCC(C)C)CC1 ZINC001661072680 1080437871 /nfs/dbraw/zinc/43/78/71/1080437871.db2.gz BZRZLGFWEHGLFV-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001661266645 1080465191 /nfs/dbraw/zinc/46/51/91/1080465191.db2.gz DRTLSMRYRIYTPP-CWRNSKLLSA-N 0 3 300.406 2.120 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001661342222 1080472753 /nfs/dbraw/zinc/47/27/53/1080472753.db2.gz GCCMPOSXGPEQPN-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](NCc2c(C)noc2C)C1 ZINC001661395491 1080476842 /nfs/dbraw/zinc/47/68/42/1080476842.db2.gz LOPFRPWENQBCPH-RBSFLKMASA-N 0 3 321.421 2.009 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001661399754 1080478142 /nfs/dbraw/zinc/47/81/42/1080478142.db2.gz XWIMCVJPCSJVPU-XYPYZODXSA-N 0 3 314.838 2.341 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001661426607 1080479999 /nfs/dbraw/zinc/47/99/99/1080479999.db2.gz FTGDFHMANXBFOB-WKILWMFISA-N 0 3 314.433 2.290 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768478 1080485240 /nfs/dbraw/zinc/48/52/40/1080485240.db2.gz PHKPKSVTGATNDZ-KBPBESRZSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768478 1080485244 /nfs/dbraw/zinc/48/52/44/1080485244.db2.gz PHKPKSVTGATNDZ-KBPBESRZSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1cn(C)nc1C ZINC001481814937 1080522161 /nfs/dbraw/zinc/52/21/61/1080522161.db2.gz LJDMLOXUDJCLNM-OAHLLOKOSA-N 0 3 306.454 2.315 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001661866439 1080536132 /nfs/dbraw/zinc/53/61/32/1080536132.db2.gz NHTYJXYSMQUWQW-RDJZCZTQSA-N 0 3 318.465 2.374 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)Cc1cc(C2CC2)no1 ZINC001661866985 1080538401 /nfs/dbraw/zinc/53/84/01/1080538401.db2.gz YIEGXCCRYHOLPW-HNNXBMFYSA-N 0 3 315.417 2.089 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001268467785 1080547548 /nfs/dbraw/zinc/54/75/48/1080547548.db2.gz IJRMMWRPNVFMHR-ROUUACIJSA-N 0 3 320.477 2.291 20 30 DEEDHN CC[C@@H](CNC(=O)[C@]1(C)CCOC1)NCc1ccc(C#N)s1 ZINC001481861833 1080559556 /nfs/dbraw/zinc/55/95/56/1080559556.db2.gz QEPRWFUSGVPGCZ-BLLLJJGKSA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC2(CNCc3ccccn3)CCCC2)c1 ZINC001481893503 1080581474 /nfs/dbraw/zinc/58/14/74/1080581474.db2.gz PBKNEBOUFAKMAS-UHFFFAOYSA-N 0 3 323.400 2.114 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(Cl)s1 ZINC001662219806 1080585233 /nfs/dbraw/zinc/58/52/33/1080585233.db2.gz PCCXRWGMHJBTOJ-GHMZBOCLSA-N 0 3 314.838 2.034 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001662357249 1080600996 /nfs/dbraw/zinc/60/09/96/1080600996.db2.gz ZLSCLZOFWQVZTQ-DAYGRLMNSA-N 0 3 308.466 2.193 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001662545506 1080614686 /nfs/dbraw/zinc/61/46/86/1080614686.db2.gz PZXHQOKBWJINGX-ZDUSSCGKSA-N 0 3 308.784 2.235 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CNCc2ocnc2C)C1 ZINC001662617492 1080621482 /nfs/dbraw/zinc/62/14/82/1080621482.db2.gz ACBHXVXOSBFJCK-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CNCc2cc(C)no2)C1 ZINC001662619616 1080622943 /nfs/dbraw/zinc/62/29/43/1080622943.db2.gz OGALUEHAYZFGHK-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN CCCCC(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107288047 1080709271 /nfs/dbraw/zinc/70/92/71/1080709271.db2.gz JPEBFINXTXYWML-SJLPKXTDSA-N 0 3 306.450 2.187 20 30 DEEDHN CCC[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107340591 1080736532 /nfs/dbraw/zinc/73/65/32/1080736532.db2.gz ACZQODGQOWZTNO-YQVWRLOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001663528267 1080768046 /nfs/dbraw/zinc/76/80/46/1080768046.db2.gz NGEUIEGDPCLMQD-NVXWUHKLSA-N 0 3 306.450 2.328 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663559454 1080774528 /nfs/dbraw/zinc/77/45/28/1080774528.db2.gz HLUXMJOXNPAYCP-AWEZNQCLSA-N 0 3 321.421 2.021 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(Cc2ccccn2)C1 ZINC001663566693 1080776881 /nfs/dbraw/zinc/77/68/81/1080776881.db2.gz LELHTNCUAMDDQG-CVEARBPZSA-N 0 3 317.433 2.001 20 30 DEEDHN CCc1nc(C)c(CNC[C@@H](C)CNC(=O)C#CC(C)(C)C)o1 ZINC001482103061 1080806587 /nfs/dbraw/zinc/80/65/87/1080806587.db2.gz XLAOFGXDISKSLQ-CYBMUJFWSA-N 0 3 319.449 2.437 20 30 DEEDHN CC[C@H]1CC[C@@H](C(=O)N(C)CCNCc2cccc(C#N)c2)O1 ZINC001663964738 1080843055 /nfs/dbraw/zinc/84/30/55/1080843055.db2.gz LGDQEMQEJJUDGJ-IRXDYDNUSA-N 0 3 315.417 2.064 20 30 DEEDHN C=CC1(CC(=O)N(C)CCNCC#CCOC)CCCCC1 ZINC001664245223 1080881514 /nfs/dbraw/zinc/88/15/14/1080881514.db2.gz XHIQNHDXQJIPJW-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001664239995 1080882139 /nfs/dbraw/zinc/88/21/39/1080882139.db2.gz CAFDSIQFGOETRP-LSDHHAIUSA-N 0 3 303.431 2.214 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001268609196 1080887491 /nfs/dbraw/zinc/88/74/91/1080887491.db2.gz FTCWPYDKHRTXNZ-PLNGDYQASA-N 0 3 311.360 2.273 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)NCc2nccn2C)CC1 ZINC001664424691 1080907402 /nfs/dbraw/zinc/90/74/02/1080907402.db2.gz DCVVYKHKLIVWMM-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(CC(=O)NC(C)C)C(C)C)C1 ZINC001664535054 1080922665 /nfs/dbraw/zinc/92/26/65/1080922665.db2.gz WXCFWMSSQZHRFT-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CCc1ccncn1)c1ccccc1 ZINC001664578105 1080927710 /nfs/dbraw/zinc/92/77/10/1080927710.db2.gz JFEJVPAEUNOSDW-GOSISDBHSA-N 0 3 324.428 2.432 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](NCCOC1CCC1)c1ccccc1 ZINC001664574851 1080928212 /nfs/dbraw/zinc/92/82/12/1080928212.db2.gz VRUSJBXELRCYET-RHSMWYFYSA-N 0 3 315.417 2.162 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C[C@H]1CCCOC1)c1ccccc1 ZINC001664597696 1080930037 /nfs/dbraw/zinc/93/00/37/1080930037.db2.gz COHTZQVHDLZQRI-SJLPKXTDSA-N 0 3 314.429 2.274 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001664734066 1080951015 /nfs/dbraw/zinc/95/10/15/1080951015.db2.gz AEHOUSDTAULVJU-UKRRQHHQSA-N 0 3 319.453 2.359 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C[C@H](F)CC)C2)cn1 ZINC001664849894 1080972331 /nfs/dbraw/zinc/97/23/31/1080972331.db2.gz VDYSPYDXCRKRAM-GDBMZVCRSA-N 0 3 317.408 2.205 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001664993500 1080982131 /nfs/dbraw/zinc/98/21/31/1080982131.db2.gz OFHONUXKZCLYDB-DLBZAZTESA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCCCC(=O)N(C)CCCN[C@H](C)c1cnc(C)cn1 ZINC001268811766 1081003869 /nfs/dbraw/zinc/00/38/69/1081003869.db2.gz PZWUDWHUQPVWQD-MRXNPFEDSA-N 0 3 316.449 2.478 20 30 DEEDHN O=C(CCS)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001268959850 1081062575 /nfs/dbraw/zinc/06/25/75/1081062575.db2.gz NMMHDMRVROVFMW-UHFFFAOYSA-N 0 3 310.385 2.183 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001665659777 1081057280 /nfs/dbraw/zinc/05/72/80/1081057280.db2.gz RUDSCHIQPSSESU-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001665715068 1081069263 /nfs/dbraw/zinc/06/92/63/1081069263.db2.gz LVIAJPQZGYMMGW-WBVHZDCISA-N 0 3 318.465 2.327 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCCc2ccccn2)C1 ZINC001665736941 1081072721 /nfs/dbraw/zinc/07/27/21/1081072721.db2.gz GRHAFXDQQOLUTJ-GOSISDBHSA-N 0 3 313.445 2.350 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCc2cccc(OCC)c2)C1 ZINC001269097036 1081116108 /nfs/dbraw/zinc/11/61/08/1081116108.db2.gz NKVHOSPUBKHILD-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@H](CC)C1 ZINC001269169107 1081148591 /nfs/dbraw/zinc/14/85/91/1081148591.db2.gz LQDWGNKKFHQETK-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1snnc1C ZINC001666624486 1081167935 /nfs/dbraw/zinc/16/79/35/1081167935.db2.gz GAINDTWMHLKOLG-LLVKDONJSA-N 0 3 310.467 2.291 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1(NCc2n[nH]c(C)n2)CCCC1 ZINC001666787074 1081180892 /nfs/dbraw/zinc/18/08/92/1081180892.db2.gz MHCROVFXCWWELW-MRXNPFEDSA-N 0 3 319.453 2.234 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2cncn2C)CCCC1 ZINC001666778320 1081181327 /nfs/dbraw/zinc/18/13/27/1081181327.db2.gz KQOHIKMBGMMKBD-UHFFFAOYSA-N 0 3 304.438 2.151 20 30 DEEDHN CC(C)C#CC(=O)N1CCC2(CN(C[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC001666821233 1081183591 /nfs/dbraw/zinc/18/35/91/1081183591.db2.gz KGRYSCBVEXWNON-IAGOWNOFSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCC1CCOCC1 ZINC001269279056 1081195237 /nfs/dbraw/zinc/19/52/37/1081195237.db2.gz UTMWAEHSPZOODF-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001269333025 1081217604 /nfs/dbraw/zinc/21/76/04/1081217604.db2.gz UAFJQTZUUIVFEX-CVEARBPZSA-N 0 3 306.450 2.492 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2nccs2)[C@@H](C)C1 ZINC001667169967 1081219605 /nfs/dbraw/zinc/21/96/05/1081219605.db2.gz PONLDYNNMHOBDR-UONOGXRCSA-N 0 3 305.447 2.129 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001269340049 1081221374 /nfs/dbraw/zinc/22/13/74/1081221374.db2.gz WCFICBUUEWKKRW-NVXWUHKLSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001269356143 1081225569 /nfs/dbraw/zinc/22/55/69/1081225569.db2.gz NWDMMTWHSAACES-DZGCQCFKSA-N 0 3 304.438 2.141 20 30 DEEDHN CC[C@@H](CNC(=O)C1CCC1)NCC#Cc1ccc(F)cc1 ZINC001269361328 1081227800 /nfs/dbraw/zinc/22/78/00/1081227800.db2.gz VEZCOPWMPHBEQF-KRWDZBQOSA-N 0 3 302.393 2.462 20 30 DEEDHN C=CCCC(=O)NCC1(NCc2cccc3c2CCOC3)CC1 ZINC001269384095 1081234353 /nfs/dbraw/zinc/23/43/53/1081234353.db2.gz VRZUAUUGBCDGIH-UHFFFAOYSA-N 0 3 314.429 2.464 20 30 DEEDHN CC[C@@H](CNC(=O)c1nocc1C)NCC#Cc1ccccc1 ZINC001269491932 1081265379 /nfs/dbraw/zinc/26/53/79/1081265379.db2.gz GTDWLQGNCSRFBZ-INIZCTEOSA-N 0 3 311.385 2.133 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2nccc(C)n2)C1 ZINC001269723176 1081345519 /nfs/dbraw/zinc/34/55/19/1081345519.db2.gz HSPRVDFJLNTBOY-CQSZACIVSA-N 0 3 322.840 2.369 20 30 DEEDHN Cc1nocc1CNCC[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001269730459 1081349187 /nfs/dbraw/zinc/34/91/87/1081349187.db2.gz PNVUGZMUNGFNPJ-MRXNPFEDSA-N 0 3 315.417 2.115 20 30 DEEDHN C=C1CCC(C(=O)N(CC)CCN[C@H](C)C(=O)NCCC)CC1 ZINC001668545501 1081365831 /nfs/dbraw/zinc/36/58/31/1081365831.db2.gz CWSKPDISANIJMZ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CNCc1cccnc1 ZINC001270013347 1081426940 /nfs/dbraw/zinc/42/69/40/1081426940.db2.gz ANSYPPYAQBCJHH-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CNCc1cccnc1 ZINC001270013348 1081427601 /nfs/dbraw/zinc/42/76/01/1081427601.db2.gz ANSYPPYAQBCJHH-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCc1cccc(F)c1F ZINC001669219120 1081439360 /nfs/dbraw/zinc/43/93/60/1081439360.db2.gz HJTRJBHTQORMBD-PLNGDYQASA-N 0 3 306.356 2.183 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001669568786 1081457829 /nfs/dbraw/zinc/45/78/29/1081457829.db2.gz NMFXMMAEMJGNOW-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN CO[C@H](CN(C)C[C@@H](C)NC(=O)C#CC1CC1)c1ccccc1 ZINC001669807025 1081470868 /nfs/dbraw/zinc/47/08/68/1081470868.db2.gz YRWIDGJKDFRFKQ-CRAIPNDOSA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)CN(C)[C@H](C)c1cccc(F)c1 ZINC001669812323 1081471691 /nfs/dbraw/zinc/47/16/91/1081471691.db2.gz YDQNFMVCXBHQDN-HUUCEWRRSA-N 0 3 320.408 2.363 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001669857198 1081475332 /nfs/dbraw/zinc/47/53/32/1081475332.db2.gz SCYSHMXKKYFXGA-ZBFHGGJFSA-N 0 3 302.418 2.402 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1nc(C)n2ccccc12 ZINC001670173681 1081500681 /nfs/dbraw/zinc/50/06/81/1081500681.db2.gz JNBDEJHFOATYMB-UHFFFAOYSA-N 0 3 320.824 2.447 20 30 DEEDHN C#CCN(C(=O)[C@H](CC)CCCC)C1CCN(CCO)CC1 ZINC001671456841 1081518146 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C#CCN(C)CCCN(C)C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001673491588 1081776523 /nfs/dbraw/zinc/77/65/23/1081776523.db2.gz MHPBSDVQRNZTEM-INIZCTEOSA-N 0 3 316.445 2.287 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@]2(CCN(CC#CC)C2)C1 ZINC001673645981 1081789590 /nfs/dbraw/zinc/78/95/90/1081789590.db2.gz QWTHKUNYWSHZOB-LJQANCHMSA-N 0 3 318.461 2.307 20 30 DEEDHN Cc1csc(CN[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]2C)n1 ZINC001482420304 1081809934 /nfs/dbraw/zinc/80/99/34/1081809934.db2.gz BNLMSHLHQPKSNV-ZFWWWQNUSA-N 0 3 319.474 2.438 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001674044630 1081831910 /nfs/dbraw/zinc/83/19/10/1081831910.db2.gz ZMXKXINJARSEAV-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C[C@@H](C)ONC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001674080732 1081832921 /nfs/dbraw/zinc/83/29/21/1081832921.db2.gz BELYAQKHSXFQIS-OIISXLGYSA-N 0 3 315.417 2.408 20 30 DEEDHN CSC[C@@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001270914631 1081837051 /nfs/dbraw/zinc/83/70/51/1081837051.db2.gz 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C#CCO[C@H](C)C(=O)NC[C@H]1CCCN1Cc1cccc(C)c1 ZINC001266461420 1082052095 /nfs/dbraw/zinc/05/20/95/1082052095.db2.gz OULQDBHJUIIPRJ-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCOc1cccc(F)c1 ZINC001266468005 1082056610 /nfs/dbraw/zinc/05/66/10/1082056610.db2.gz HTCZGGZBFIZEBW-OAHLLOKOSA-N 0 3 306.381 2.361 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCCO1)C1CCN(CC=C(C)C)CC1 ZINC001671460611 1082126290 /nfs/dbraw/zinc/12/62/90/1082126290.db2.gz IPFWHIPTLCDXDX-SFHVURJKSA-N 0 3 318.461 2.448 20 30 DEEDHN CC(C)C(=O)N[C@@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001670443102 1082135031 /nfs/dbraw/zinc/13/50/31/1082135031.db2.gz INWAHGJSRGJDLE-KRWDZBQOSA-N 0 3 302.393 2.318 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001266539866 1082135761 /nfs/dbraw/zinc/13/57/61/1082135761.db2.gz KJWBIBRYYAQQEC-LSDHHAIUSA-N 0 3 302.393 2.391 20 30 DEEDHN O=C(C#CC1CC1)N[C@H](CNCc1ccc(F)c(F)c1)C1CC1 ZINC001670470148 1082144456 /nfs/dbraw/zinc/14/44/56/1082144456.db2.gz 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ZINC001272080391 1082409362 /nfs/dbraw/zinc/40/93/62/1082409362.db2.gz MNTUVHZQPUJNMP-UHFFFAOYSA-N 0 3 316.445 2.344 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001480892356 1082409712 /nfs/dbraw/zinc/40/97/12/1082409712.db2.gz FFPSDXZHWHMLBI-KRWDZBQOSA-N 0 3 320.408 2.106 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H]3[C@H](CCN3CCF)C2)CCOCC1 ZINC001482668578 1082450923 /nfs/dbraw/zinc/45/09/23/1082450923.db2.gz WMBKOFUBPPOSAA-CVEARBPZSA-N 0 3 324.440 2.252 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1CC12CCOCC2 ZINC001482904265 1082554455 /nfs/dbraw/zinc/55/44/55/1082554455.db2.gz CYKKNPLIDOVWIO-STQMWFEESA-N 0 3 300.830 2.040 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001272110754 1082587348 /nfs/dbraw/zinc/58/73/48/1082587348.db2.gz FEZGFUAZYXMYCZ-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(CC)nn(C)c1Cl ZINC001272145379 1082604646 /nfs/dbraw/zinc/60/46/46/1082604646.db2.gz MLZWXERBNDNFGF-UHFFFAOYSA-N 0 3 312.845 2.216 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@]1(C)OCCc2ccccc21 ZINC001272186043 1082625340 /nfs/dbraw/zinc/62/53/40/1082625340.db2.gz XBYONGPPBNLPLN-IBGZPJMESA-N 0 3 316.445 2.441 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1sccc1-n1cccc1 ZINC001483045639 1082657988 /nfs/dbraw/zinc/65/79/88/1082657988.db2.gz OCVNYGRHMVFFCR-SNAWJCMRSA-N 0 3 313.426 2.438 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C1(c2ccccc2OC)CC1 ZINC001483103978 1082710263 /nfs/dbraw/zinc/71/02/63/1082710263.db2.gz LTYCFUQFQNCGFI-FPLPWBNLSA-N 0 3 312.413 2.012 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)C=C1CCC1 ZINC001483119343 1082727278 /nfs/dbraw/zinc/72/72/78/1082727278.db2.gz GUDOVJUMGXXHFO-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001483121990 1082732422 /nfs/dbraw/zinc/73/24/22/1082732422.db2.gz PRRHBJCLFAQVHV-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001409310682 1082757848 /nfs/dbraw/zinc/75/78/48/1082757848.db2.gz PBFLWMBYMYLOIN-IYXRBSQSSA-N 0 3 323.824 2.086 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001409660794 1083008717 /nfs/dbraw/zinc/00/87/17/1083008717.db2.gz PZTMWNYDNRNKHJ-PWSUYJOCSA-N 0 3 324.856 2.337 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1 ZINC001483337177 1083113724 /nfs/dbraw/zinc/11/37/24/1083113724.db2.gz DRHJDQFRTSGDKY-GYPZGHTGSA-N 0 3 314.429 2.175 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001483348831 1083120418 /nfs/dbraw/zinc/12/04/18/1083120418.db2.gz BCOOWBBVYBGPKS-CJNGLKHVSA-N 0 3 302.418 2.348 20 30 DEEDHN CCN(CC#CCOC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460990225 1083444915 /nfs/dbraw/zinc/44/49/15/1083444915.db2.gz YJHGRXKPVLLONR-OAHLLOKOSA-N 0 3 310.438 2.358 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001281138049 1083491310 /nfs/dbraw/zinc/49/13/10/1083491310.db2.gz ORZZWRDRGYVSKS-PKOBYXMFSA-N 0 3 318.461 2.089 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@@H](OCC)C1(CC)CC ZINC001222524115 1083635988 /nfs/dbraw/zinc/63/59/88/1083635988.db2.gz JWQIKNUGRJUHSB-JKSUJKDBSA-N 0 3 323.481 2.225 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(F)=C(C)C)CC2(CCOCC2)C1 ZINC001099577456 1083683975 /nfs/dbraw/zinc/68/39/75/1083683975.db2.gz ZHVNVQJJOBXYBW-OAHLLOKOSA-N 0 3 322.424 2.260 20 30 DEEDHN N#Cc1cncc(CNC(=O)c2ccc(NC3=NCCC3)cc2)c1 ZINC001413615522 1083772751 /nfs/dbraw/zinc/77/27/51/1083772751.db2.gz PVMNEOXXWOLURM-UHFFFAOYSA-N 0 3 319.368 2.487 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001490894266 1083833874 /nfs/dbraw/zinc/83/38/74/1083833874.db2.gz HNTBFOSGHBECOY-KCPJHIHWSA-N 0 3 317.437 2.179 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001277227027 1083857404 /nfs/dbraw/zinc/85/74/04/1083857404.db2.gz DRAHFOYQJKJPGP-ZIAGYGMSSA-N 0 3 324.856 2.073 20 30 DEEDHN C#CCCCC(=O)NC[C@]1(C)CN([C@H](C)CCC=C)CCO1 ZINC001107900802 1083859552 /nfs/dbraw/zinc/85/95/52/1083859552.db2.gz CGSMGRZAFYMCIU-SJLPKXTDSA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC1CCCC1 ZINC001277344634 1083918643 /nfs/dbraw/zinc/91/86/43/1083918643.db2.gz BVPRFCJRZLOQLZ-MSOLQXFVSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C)[C@H](C)C(=O)NCCC)CC1 ZINC001277423215 1083961417 /nfs/dbraw/zinc/96/14/17/1083961417.db2.gz NSRUZQANKFJUIM-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)n1C ZINC001490991656 1083993208 /nfs/dbraw/zinc/99/32/08/1083993208.db2.gz ANMHEFJMCNOTPT-HDICACEKSA-N 0 3 321.424 2.236 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cnc(C)n1C)CC2 ZINC001272772557 1084004253 /nfs/dbraw/zinc/00/42/53/1084004253.db2.gz VRVJAOKDEHMUEA-UHFFFAOYSA-N 0 3 316.449 2.119 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001280871968 1084048739 /nfs/dbraw/zinc/04/87/39/1084048739.db2.gz CIRGEKFIKHTFEO-UHFFFAOYSA-N 0 3 310.401 2.104 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(C)nc1OCCC ZINC001280872545 1084052585 /nfs/dbraw/zinc/05/25/85/1084052585.db2.gz GMQWOYCGUDDCOP-UHFFFAOYSA-N 0 3 317.433 2.206 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@H]1C ZINC001277730604 1084116757 /nfs/dbraw/zinc/11/67/57/1084116757.db2.gz JQJDSWRXXYPMLZ-GROCXKSISA-N 0 3 321.248 2.477 20 30 DEEDHN C=CCCCN1CCn2c(nnc2C(=O)NC(C)(C)C)C[C@H]1C ZINC001277758275 1084133322 /nfs/dbraw/zinc/13/33/22/1084133322.db2.gz GMXKAOTZOOGTLH-CYBMUJFWSA-N 0 3 319.453 2.019 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001491199939 1084145937 /nfs/dbraw/zinc/14/59/37/1084145937.db2.gz WKVFNTUZTATJOQ-OAHLLOKOSA-N 0 3 305.422 2.110 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]1CNCc1cc(CO)ccc1F ZINC001277823384 1084162579 /nfs/dbraw/zinc/16/25/79/1084162579.db2.gz LWJZJWXZCUKMBE-MRXNPFEDSA-N 0 3 320.408 2.365 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)COCc1ccncc1 ZINC001491228740 1084170285 /nfs/dbraw/zinc/17/02/85/1084170285.db2.gz GXZTVYSZCRIXBM-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CC/C=C/CC)C[C@H]2OC)CCC1 ZINC001212393131 1084182413 /nfs/dbraw/zinc/18/24/13/1084182413.db2.gz DYIOONFJKCTBAY-KGVXHEBISA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CC2CCC2)CC2(CCOCC2)C1 ZINC001089928004 1084187276 /nfs/dbraw/zinc/18/72/76/1084187276.db2.gz GQGVADOTXHLRDS-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC001670999363 1084198309 /nfs/dbraw/zinc/19/83/09/1084198309.db2.gz YKIPDGFVOUGQQO-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C2CC=CC2)CC2(CCOCC2)C1 ZINC001089931334 1084207211 /nfs/dbraw/zinc/20/72/11/1084207211.db2.gz VTECNDRGNZFACK-MRXNPFEDSA-N 0 3 304.434 2.126 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@H]2CC2(C)C)CC2(CCOCC2)C1 ZINC001089932330 1084209718 /nfs/dbraw/zinc/20/97/18/1084209718.db2.gz INHWLDOKHQWQOA-HUUCEWRRSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CCC)OCC)C2)C1 ZINC001671038508 1084224523 /nfs/dbraw/zinc/22/45/23/1084224523.db2.gz DCXDFIOAXKFDMC-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C2(C)CC2)CC2(CCOCC2)C1 ZINC001089941350 1084254709 /nfs/dbraw/zinc/25/47/09/1084254709.db2.gz HCTUHAIOPJNNAA-OAHLLOKOSA-N 0 3 306.450 2.350 20 30 DEEDHN Cc1ncoc1CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272821556 1084259452 /nfs/dbraw/zinc/25/94/52/1084259452.db2.gz NCRJVSMHQTXFIM-QGZVFWFLSA-N 0 3 316.405 2.244 20 30 DEEDHN COCCC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001168637308 1084327356 /nfs/dbraw/zinc/32/73/56/1084327356.db2.gz CFKMTJAVUFZCJW-HNNXBMFYSA-N 0 3 317.433 2.359 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccc(CC(C)C)s1 ZINC001491485221 1084342381 /nfs/dbraw/zinc/34/23/81/1084342381.db2.gz LYPYOEBCPFLELC-AWEZNQCLSA-N 0 3 322.474 2.304 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2C[C@@H]2C)CC2(CCOCC2)C1 ZINC001089950796 1084357573 /nfs/dbraw/zinc/35/75/73/1084357573.db2.gz BLYLSCZTMCTCPB-XHSDSOJGSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491547017 1084407356 /nfs/dbraw/zinc/40/73/56/1084407356.db2.gz HTDSOEMSEVDYIT-CYBMUJFWSA-N 0 3 306.454 2.445 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2CCc2cccc(OC)c2)C1=O ZINC001272892077 1084436673 /nfs/dbraw/zinc/43/66/73/1084436673.db2.gz BPCWYQBFSCEVHT-IBGZPJMESA-N 0 3 314.429 2.491 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001235684878 1084497886 /nfs/dbraw/zinc/49/78/86/1084497886.db2.gz MBJHMDPWCMNBEM-OAHLLOKOSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)CCC[C@@H](C)CCC)C1=O ZINC001128151914 1084648742 /nfs/dbraw/zinc/64/87/42/1084648742.db2.gz CJSGQNMYHHLAJD-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2=COCCC2)C12CCC2 ZINC001078569632 1084751256 /nfs/dbraw/zinc/75/12/56/1084751256.db2.gz UIJVVBWPBCRXJB-KGLIPLIRSA-N 0 3 310.825 2.450 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)ncn2C)C12CCC2 ZINC001078652858 1084796516 /nfs/dbraw/zinc/79/65/16/1084796516.db2.gz VJPDLCSKUXCBHC-QWHCGFSZSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]nc2CC)C12CCC2 ZINC001078665406 1084799823 /nfs/dbraw/zinc/79/98/23/1084799823.db2.gz IARLYMZIZCVDFT-KBPBESRZSA-N 0 3 322.840 2.355 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc(C)n2C)C12CCC2 ZINC001078707680 1084819661 /nfs/dbraw/zinc/81/96/61/1084819661.db2.gz CHUMSPLYFKTJBU-UONOGXRCSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(Cc3cccs3)C2)OCC1=O ZINC001272931108 1084840658 /nfs/dbraw/zinc/84/06/58/1084840658.db2.gz BBFUCUZMOPNINR-INIZCTEOSA-N 0 3 306.431 2.128 20 30 DEEDHN C=Cc1ccc(C(=O)N[C@@H]2CN(CCC(=C)C)C[C@@H]2O)cc1 ZINC001083798453 1084917783 /nfs/dbraw/zinc/91/77/83/1084917783.db2.gz CPWTTXCGNSSRMX-SJORKVTESA-N 0 3 300.402 2.071 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@H](C)NCc2ccnn2C)CCC1 ZINC001485920508 1084985275 /nfs/dbraw/zinc/98/52/75/1084985275.db2.gz RFBPYCIUNCZJFP-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@@H](C(=O)N(C)C[C@@H](C)NCC#CCOC)c1ccccc1 ZINC001485958465 1085021497 /nfs/dbraw/zinc/02/14/97/1085021497.db2.gz LFTCKMPTWSHYNR-SJLPKXTDSA-N 0 3 314.429 2.043 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](CO)NCc1ccc(C)c(C)c1 ZINC001486027843 1085034387 /nfs/dbraw/zinc/03/43/87/1085034387.db2.gz OSBNSSZXWFOMDR-SFHVURJKSA-N 0 3 316.445 2.064 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)CC1CCC(C(C)(C)C)CC1 ZINC001486067326 1085039856 /nfs/dbraw/zinc/03/98/56/1085039856.db2.gz YPDNYDBCEKNJJW-UYSNPLJNSA-N 0 3 310.482 2.482 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCc2ccc(F)cc2)C1 ZINC001486123971 1085077032 /nfs/dbraw/zinc/07/70/32/1085077032.db2.gz JYNLRVBVILBSPM-RHSMWYFYSA-N 0 3 302.393 2.361 20 30 DEEDHN COCCN1CCC[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H]1C ZINC001486186991 1085116033 /nfs/dbraw/zinc/11/60/33/1085116033.db2.gz RHVUPUVHOIDYFW-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN CCC[C@@H](C)CC(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001486228981 1085136944 /nfs/dbraw/zinc/13/69/44/1085136944.db2.gz REUQTQOTQAYGES-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1oc(C)nc1C ZINC000960257609 1085167800 /nfs/dbraw/zinc/16/78/00/1085167800.db2.gz GSGJQFUJFWPXOM-HZPDHXFCSA-N 0 3 311.385 2.463 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cccnc1 ZINC000960259613 1085169964 /nfs/dbraw/zinc/16/99/64/1085169964.db2.gz VYBBHHMOJROMMU-IEBWSBKVSA-N 0 3 307.397 2.182 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ocnc1C1CC1)C(C)C ZINC001486375639 1085247861 /nfs/dbraw/zinc/24/78/61/1085247861.db2.gz MKQJUMCTMKUVAN-UHFFFAOYSA-N 0 3 303.406 2.358 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C[C@H](C)n2nc(C)cc2C)CC1 ZINC001486520738 1085404729 /nfs/dbraw/zinc/40/47/29/1085404729.db2.gz IBTIVGOHGNFURW-INIZCTEOSA-N 0 3 316.449 2.385 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C[C@@H](C)n2nc(C)cc2C)CC1 ZINC001486520739 1085404992 /nfs/dbraw/zinc/40/49/92/1085404992.db2.gz IBTIVGOHGNFURW-MRXNPFEDSA-N 0 3 316.449 2.385 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)cc(OC)c1C ZINC000960816761 1085463348 /nfs/dbraw/zinc/46/33/48/1085463348.db2.gz QGZBMSPCSGMKAY-QLPKVWCKSA-N 0 3 300.402 2.158 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccnc(OC)c1 ZINC001128208636 1085557184 /nfs/dbraw/zinc/55/71/84/1085557184.db2.gz GRKMSPTXYRZTTK-UHFFFAOYSA-N 0 3 311.813 2.075 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1nc(C)c[nH]1)C2 ZINC000965380834 1085598466 /nfs/dbraw/zinc/59/84/66/1085598466.db2.gz NDCYMYGOBLLTPN-UHFFFAOYSA-N 0 3 308.813 2.101 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001128257994 1085645695 /nfs/dbraw/zinc/64/56/95/1085645695.db2.gz ATMYNXYYGSCFLU-OAHLLOKOSA-N 0 3 323.481 2.108 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccc(F)cc3F)C2)C1=O ZINC001272974388 1085750533 /nfs/dbraw/zinc/75/05/33/1085750533.db2.gz PQBIJFFJEBZDNF-KRWDZBQOSA-N 0 3 304.340 2.022 20 30 DEEDHN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000966075280 1085780171 /nfs/dbraw/zinc/78/01/71/1085780171.db2.gz KEUIACUVOFUYQP-SJORKVTESA-N 0 3 319.493 2.101 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC001078876267 1085889178 /nfs/dbraw/zinc/88/91/78/1085889178.db2.gz SCXSRPBIRWOKMX-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3cnc(N)s3)CC2)C1=O ZINC001273026408 1086014502 /nfs/dbraw/zinc/01/45/02/1086014502.db2.gz PMOWTYYZYQGNAU-UHFFFAOYSA-N 0 3 320.462 2.116 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000962422984 1086106139 /nfs/dbraw/zinc/10/61/39/1086106139.db2.gz APHKALANGGLPMW-CAOSSQGBSA-N 0 3 302.805 2.212 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1cccc(OC)c1 ZINC000962824795 1086249825 /nfs/dbraw/zinc/24/98/25/1086249825.db2.gz XWAYFTWRLWSMOJ-KKBVYLPWSA-N 0 3 300.402 2.031 20 30 DEEDHN CC#CCCCC(=O)NC[C@@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001108142307 1086510128 /nfs/dbraw/zinc/51/01/28/1086510128.db2.gz PXTCPYGIGFNZOK-WMZOPIPTSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCCCO1)C2 ZINC000963691775 1086539845 /nfs/dbraw/zinc/53/98/45/1086539845.db2.gz MERMBWUMTFMYBC-JNJRBNHSSA-N 0 3 312.841 2.325 20 30 DEEDHN CC(C)(CC(F)F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001129164143 1086612481 /nfs/dbraw/zinc/61/24/81/1086612481.db2.gz 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C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc3cscc3s2)C1 ZINC000958267312 1088896199 /nfs/dbraw/zinc/89/61/99/1088896199.db2.gz MAUXDFRPPHNCSC-NEPJUHHUSA-N 0 3 322.455 2.171 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2csc3ccccc23)[C@H](O)C1 ZINC000958297190 1088910480 /nfs/dbraw/zinc/91/04/80/1088910480.db2.gz OXIJLMICXMTIIG-IUODEOHRSA-N 0 3 316.426 2.110 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001276311696 1088953936 /nfs/dbraw/zinc/95/39/36/1088953936.db2.gz NNRJYRPTNNATQV-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc3occc3s2)C1 ZINC000958405586 1088968790 /nfs/dbraw/zinc/96/87/90/1088968790.db2.gz UNHIQADISJXLTK-RYUDHWBXSA-N 0 3 320.414 2.093 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cc(Cl)ccc2C)[C@H](O)C1 ZINC000958488621 1089012214 /nfs/dbraw/zinc/01/22/14/1089012214.db2.gz DKLXVKIKPBGQFO-CZUORRHYSA-N 0 3 322.836 2.247 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001080557093 1089059344 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DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1 ZINC001084806514 1090453483 /nfs/dbraw/zinc/45/34/83/1090453483.db2.gz SEPVYANBHZGZIN-NVXWUHKLSA-N 0 3 302.393 2.477 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COc3ccccc3F)[C@@H]2C1 ZINC001084827697 1090462673 /nfs/dbraw/zinc/46/26/73/1090462673.db2.gz ROMLHGDBPWHXJR-GDBMZVCRSA-N 0 3 318.392 2.313 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ncccc3OCC)[C@@H]2C1 ZINC001084875175 1090488548 /nfs/dbraw/zinc/48/85/48/1090488548.db2.gz DHLPBTOUKYBGAF-HUUCEWRRSA-N 0 3 315.417 2.203 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cccc(C)c1F)CC2 ZINC001273253640 1090591133 /nfs/dbraw/zinc/59/11/33/1090591133.db2.gz JEQOVIJZRDBSRB-MRXNPFEDSA-N 0 3 314.404 2.486 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3cncnc3)CC2)C1=O ZINC001273258867 1090625830 /nfs/dbraw/zinc/62/58/30/1090625830.db2.gz VWCOHGVJQVHVQR-GOSISDBHSA-N 0 3 314.433 2.257 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)s1 ZINC001410430625 1090648432 /nfs/dbraw/zinc/64/84/32/1090648432.db2.gz GXNJWGRWMOCBGQ-FZMZJTMJSA-N 0 3 303.431 2.356 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C2CCC(CCCC)CC2)CCO1 ZINC001273351352 1091076642 /nfs/dbraw/zinc/07/66/42/1091076642.db2.gz PRKTUICNEMXSBZ-ABHNRTSZSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c1[O-] ZINC001273359935 1091089180 /nfs/dbraw/zinc/08/91/80/1091089180.db2.gz BVUDWXBXNSIUKU-MRXNPFEDSA-N 0 3 314.429 2.469 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C2(CF)CCC2)cc1 ZINC001274379410 1091214626 /nfs/dbraw/zinc/21/46/26/1091214626.db2.gz RLFMPCOMCROMGE-OWOJBTEDSA-N 0 3 315.392 2.460 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2cc(C)on2)C(C)(C)C1 ZINC001274406023 1091226510 /nfs/dbraw/zinc/22/65/10/1091226510.db2.gz DNJXTJAOVBYPKF-OAHLLOKOSA-N 0 3 321.421 2.016 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Oc2cccnc2)C(C)(C)C1 ZINC001274454366 1091253677 /nfs/dbraw/zinc/25/36/77/1091253677.db2.gz NYFLGTMXOCJHSH-HOCLYGCPSA-N 0 3 317.433 2.252 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3occc3OC)CC2)C1=O ZINC001274462341 1091258586 /nfs/dbraw/zinc/25/85/86/1091258586.db2.gz VNVYNHSLGODBTO-SFHVURJKSA-N 0 3 316.401 2.126 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001274510811 1091275588 /nfs/dbraw/zinc/27/55/88/1091275588.db2.gz NOOUGOQJFXLKTF-SREVYHEPSA-N 0 3 302.393 2.389 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1c(F)cccc1Cl ZINC001274525552 1091286010 /nfs/dbraw/zinc/28/60/10/1091286010.db2.gz HADXZMLOGOUFGZ-NSCUHMNNSA-N 0 3 324.783 2.005 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(C)cccc1F ZINC001274582706 1091309425 /nfs/dbraw/zinc/30/94/25/1091309425.db2.gz CEXXSZLXUTVLNN-IAGOWNOFSA-N 0 3 300.377 2.333 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(CCOCC)CCC2)C[C@H]1C ZINC001274623850 1091334930 /nfs/dbraw/zinc/33/49/30/1091334930.db2.gz NQEISVKEDLAMLV-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1csc(CC(C)C)n1 ZINC001274632295 1091340228 /nfs/dbraw/zinc/34/02/28/1091340228.db2.gz QWKQQFUHIARAEV-SREVYHEPSA-N 0 3 305.447 2.241 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2c(C)cccc2C)C[C@@H]1C ZINC001274654303 1091354249 /nfs/dbraw/zinc/35/42/49/1091354249.db2.gz NOKUMEKDWCRNHR-DLBZAZTESA-N 0 3 314.429 2.285 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC=CO1 ZINC001412476546 1091439873 /nfs/dbraw/zinc/43/98/73/1091439873.db2.gz HTBRZHUPPRRDDK-QGZVFWFLSA-N 0 3 313.401 2.141 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](OCC)C2CC2)C1 ZINC001411240343 1091459285 /nfs/dbraw/zinc/45/92/85/1091459285.db2.gz PWFGRTZEEGMKBB-RUXDESIVSA-N 0 3 300.830 2.133 20 30 DEEDHN C=CCCCCCCN1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001276040836 1091466004 /nfs/dbraw/zinc/46/60/04/1091466004.db2.gz CIFOBKVUUVWMEV-CALCHBBNSA-N 0 3 307.482 2.360 20 30 DEEDHN N#Cc1ccc(CCN2CC3(C2)CCN(Cc2cn[nH]c2)C3)cc1 ZINC001274913455 1091473714 /nfs/dbraw/zinc/47/37/14/1091473714.db2.gz CHKNORXOGGJWCL-UHFFFAOYSA-N 0 3 321.428 2.032 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H](C)NC(=O)C1=CCCC1 ZINC001275122398 1091571571 /nfs/dbraw/zinc/57/15/71/1091571571.db2.gz ZLDWFGXUTPBZAY-LSDHHAIUSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CNCc2cnc(C)nc2)CC1 ZINC001275297738 1091657689 /nfs/dbraw/zinc/65/76/89/1091657689.db2.gz OGUNJRAVWFZGPW-ZDUSSCGKSA-N 0 3 302.422 2.126 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)Cc1cccnc1 ZINC001275384848 1091705076 /nfs/dbraw/zinc/70/50/76/1091705076.db2.gz FBVYJISLVOLRFP-SJORKVTESA-N 0 3 321.424 2.159 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCCCNCc2nnc(C)[nH]2)C1 ZINC001175151059 1091844454 /nfs/dbraw/zinc/84/44/54/1091844454.db2.gz VCLSCGDUCQJXBI-ZDUSSCGKSA-N 0 3 319.453 2.234 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CCCOc2ccccc2)CC1 ZINC001273465335 1091860234 /nfs/dbraw/zinc/86/02/34/1091860234.db2.gz JDXCHDBKJNPIOM-QGZVFWFLSA-N 0 3 314.429 2.450 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC001273474912 1091868155 /nfs/dbraw/zinc/86/81/55/1091868155.db2.gz KTPHNVOFUNMZSP-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@H](C)NCC(=O)NCC)CCCCC1 ZINC001275570035 1091873474 /nfs/dbraw/zinc/87/34/74/1091873474.db2.gz BFCWXTUGBPEOBV-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(Cc1ncccn1)C2 ZINC001273487340 1091877640 /nfs/dbraw/zinc/87/76/40/1091877640.db2.gz HIMGOUJUFBNDAV-SFHVURJKSA-N 0 3 314.433 2.400 20 30 DEEDHN C=CCCCCN1CCCC[C@]12CC(=O)N(CC(OC)OC)C2 ZINC001273495029 1091883324 /nfs/dbraw/zinc/88/33/24/1091883324.db2.gz LYZBQVPSMGMGLP-GOSISDBHSA-N 0 3 324.465 2.419 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000948726092 1091903646 /nfs/dbraw/zinc/90/36/46/1091903646.db2.gz NDIRVRDDCRNPPQ-SJORKVTESA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC001273530585 1091905477 /nfs/dbraw/zinc/90/54/77/1091905477.db2.gz RSHWUCAIXGYISJ-SFHVURJKSA-N 0 3 314.429 2.218 20 30 DEEDHN Cc1ccc(CN2CC3(C2)CCN(Cc2cn[nH]c2)C3)c(C#N)c1 ZINC001275616823 1091914365 /nfs/dbraw/zinc/91/43/65/1091914365.db2.gz OHAMYNIFVLXQHO-UHFFFAOYSA-N 0 3 321.428 2.298 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)cc(F)c1)CC2 ZINC001273556583 1091920884 /nfs/dbraw/zinc/92/08/84/1091920884.db2.gz FBVIEKBRFJSFLT-QGZVFWFLSA-N 0 3 314.404 2.486 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)cc(F)c1 ZINC001273557007 1091921582 /nfs/dbraw/zinc/92/15/82/1091921582.db2.gz LRCARYVNPMQDIG-IAGOWNOFSA-N 0 3 300.377 2.333 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001273591228 1091940373 /nfs/dbraw/zinc/94/03/73/1091940373.db2.gz JHLLCYNCRNDXBT-IRXDYDNUSA-N 0 3 322.493 2.489 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000948841006 1091963011 /nfs/dbraw/zinc/96/30/11/1091963011.db2.gz PTRQAZWUEAXAHP-OAHLLOKOSA-N 0 3 315.417 2.420 20 30 DEEDHN CCCCN1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273631301 1091964394 /nfs/dbraw/zinc/96/43/94/1091964394.db2.gz GMMJTJBWVJBWJP-SFHVURJKSA-N 0 3 312.417 2.178 20 30 DEEDHN CC#CCNCCN(CC)C(=O)COc1ccc(CC)cc1 ZINC001273738664 1092023855 /nfs/dbraw/zinc/02/38/55/1092023855.db2.gz VEJIRXKEIMVPCR-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC1(C)C)CCO2 ZINC000949161887 1092060194 /nfs/dbraw/zinc/06/01/94/1092060194.db2.gz GDBPXCJWSLBDOZ-HNNXBMFYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H]3CC[C@H](F)C3)CC2)C1 ZINC000949454118 1092150848 /nfs/dbraw/zinc/15/08/48/1092150848.db2.gz DBAQMDBWOGIVHE-HOTGVXAUSA-N 0 3 324.440 2.394 20 30 DEEDHN CCC[C@H](CC)C(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001280760480 1092282862 /nfs/dbraw/zinc/28/28/62/1092282862.db2.gz QLDGKIORHRRROU-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001494912650 1092298517 /nfs/dbraw/zinc/29/85/17/1092298517.db2.gz HQHOLERWLANBKK-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnn1CC(F)(F)F ZINC001297373279 1092482170 /nfs/dbraw/zinc/48/21/70/1092482170.db2.gz QFYBHXBQFKXXOD-UHFFFAOYSA-N 0 3 318.343 2.025 20 30 DEEDHN Cc1nc(C(=O)NC[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)co1 ZINC001488731610 1092710932 /nfs/dbraw/zinc/71/09/32/1092710932.db2.gz RJJOPQFLWVEJBR-CALCHBBNSA-N 0 3 323.396 2.133 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001488702740 1092720842 /nfs/dbraw/zinc/72/08/42/1092720842.db2.gz YLPZGGZZACBMEC-GDBMZVCRSA-N 0 3 304.438 2.023 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001488827109 1092768710 /nfs/dbraw/zinc/76/87/10/1092768710.db2.gz WVEWBEQAXRWWPA-SAZUREKKSA-N 0 3 318.367 2.363 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCCC(C)=O)C2)CC1 ZINC001488974300 1092858384 /nfs/dbraw/zinc/85/83/84/1092858384.db2.gz RFWDENIRGKPMFN-MRXNPFEDSA-N 0 3 318.461 2.472 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N[C@H](C)CC ZINC001489032536 1092893384 /nfs/dbraw/zinc/89/33/84/1092893384.db2.gz ZBWCQGFMCRVUEJ-OAGGEKHMSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cn(C)nc1CC ZINC001489323107 1093018614 /nfs/dbraw/zinc/01/86/14/1093018614.db2.gz POPJEMCGDJLDAD-AWEZNQCLSA-N 0 3 304.438 2.095 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001489326871 1093021076 /nfs/dbraw/zinc/02/10/76/1093021076.db2.gz ROKHBXVTVBWUMZ-LSDHHAIUSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H](C)CC)C1 ZINC001489376287 1093037118 /nfs/dbraw/zinc/03/71/18/1093037118.db2.gz NQCXMWYXKRANNY-GCVQQVDUSA-N 0 3 303.244 2.426 20 30 DEEDHN N#Cc1ccc(C(=O)NCCCN(Cc2cccnc2)C2CC2)[nH]1 ZINC001490371135 1093326061 /nfs/dbraw/zinc/32/60/61/1093326061.db2.gz ODXXDRGEJLFQCI-UHFFFAOYSA-N 0 3 323.400 2.066 20 30 DEEDHN C=CCCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001490441730 1093359617 /nfs/dbraw/zinc/35/96/17/1093359617.db2.gz GWQMGPNQFSJABV-MRXNPFEDSA-N 0 3 315.417 2.172 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001490413885 1093370947 /nfs/dbraw/zinc/37/09/47/1093370947.db2.gz XJKKIIAVHMSHHR-CQSZACIVSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CN(C)Cc2ccccc2)CC1 ZINC001490425237 1093375891 /nfs/dbraw/zinc/37/58/91/1093375891.db2.gz QCKKNDSINFQHNM-UHFFFAOYSA-N 0 3 315.461 2.227 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001490456814 1093394694 /nfs/dbraw/zinc/39/46/94/1093394694.db2.gz WSEBIKXQQLRLTC-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)CC(C)=C(C)C)CC1 ZINC001490599047 1093437368 /nfs/dbraw/zinc/43/73/68/1093437368.db2.gz DIQMZJDRIBANAV-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001490643692 1093441229 /nfs/dbraw/zinc/44/12/29/1093441229.db2.gz VLEGZHKJMVUQIB-RHSMWYFYSA-N 0 3 316.470 2.274 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](N[C@@H](C)c2n[nH]c(C)n2)C2CC2)C1 ZINC001490705169 1093473994 /nfs/dbraw/zinc/47/39/94/1093473994.db2.gz LLMPDXGEOKAORB-FZMZJTMJSA-N 0 3 317.437 2.015 20 30 DEEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCN(C(=O)C(F)F)C1 ZINC001490749801 1093504420 /nfs/dbraw/zinc/50/44/20/1093504420.db2.gz QOJCRWYBSHBTDU-MRXNPFEDSA-N 0 3 320.383 2.474 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001490752666 1093505800 /nfs/dbraw/zinc/50/58/00/1093505800.db2.gz OKLMMCFQUUVJCV-CYBMUJFWSA-N 0 3 310.829 2.255 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1cc2cscc2s1 ZINC001317612783 1093536320 /nfs/dbraw/zinc/53/63/20/1093536320.db2.gz YZLWFRPOQRCEGI-UHFFFAOYSA-N 0 3 322.455 2.274 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C/CNCc1cc(C)sc1C ZINC001274024136 1093770332 /nfs/dbraw/zinc/77/03/32/1093770332.db2.gz GKIGRRDMOOAFMR-PSKZRQQASA-N 0 3 320.458 2.165 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(C)cnc3F)C2)C1=O ZINC001274025161 1093771392 /nfs/dbraw/zinc/77/13/92/1093771392.db2.gz JMLNNCJWGQNABS-QGZVFWFLSA-N 0 3 303.381 2.140 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099515 1093798304 /nfs/dbraw/zinc/79/83/04/1093798304.db2.gz KYKVKJVFLOIZNZ-GOSISDBHSA-N 0 3 318.392 2.450 20 30 DEEDHN C=CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099515 1093798313 /nfs/dbraw/zinc/79/83/13/1093798313.db2.gz KYKVKJVFLOIZNZ-GOSISDBHSA-N 0 3 318.392 2.450 20 30 DEEDHN C#CCN1CC2(CCC1=O)CC[NH+](Cc1occc1[S-])CC2 ZINC001274176705 1093835719 /nfs/dbraw/zinc/83/57/19/1093835719.db2.gz PHGOPZONSMEXJV-UHFFFAOYSA-N 0 3 318.442 2.406 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC001329533515 1148915763 /nfs/dbraw/zinc/91/57/63/1148915763.db2.gz WELYFTDASOBLPU-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@]1(C)CCOc2ccccc21 ZINC001277988470 1138383345 /nfs/dbraw/zinc/38/33/45/1138383345.db2.gz PWWRXWOUTMURCA-KXBFYZLASA-N 0 3 314.429 2.187 20 30 DEEDHN COC(=O)c1cc(F)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001236772694 1138421955 /nfs/dbraw/zinc/42/19/55/1138421955.db2.gz KCNAENKKEVINRF-CQSZACIVSA-N 0 3 321.373 2.386 20 30 DEEDHN COC(=O)c1cc(F)cc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001236772693 1138422520 /nfs/dbraw/zinc/42/25/20/1138422520.db2.gz KCNAENKKEVINRF-AWEZNQCLSA-N 0 3 321.373 2.386 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001278010017 1138427573 /nfs/dbraw/zinc/42/75/73/1138427573.db2.gz HPECTQYCEYGKMZ-JKSUJKDBSA-N 0 3 302.418 2.222 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001278025894 1138455454 /nfs/dbraw/zinc/45/54/54/1138455454.db2.gz SLFQQBVFVKAJIQ-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN CS[C@H](C)CCN1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001278065426 1138525335 /nfs/dbraw/zinc/52/53/35/1138525335.db2.gz XFWGFXWAWZZMPA-IOASZLSFSA-N 0 3 307.463 2.155 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1 ZINC001278077848 1138580414 /nfs/dbraw/zinc/58/04/14/1138580414.db2.gz OHUVSUADXMGVBF-CJNGLKHVSA-N 0 3 322.836 2.127 20 30 DEEDHN CN1CCC2(CCN(Cc3cc(C#N)c(F)cc3F)CC2)C1=O ZINC001237530223 1138665735 /nfs/dbraw/zinc/66/57/35/1138665735.db2.gz MYEIBXRKCIIOOR-UHFFFAOYSA-N 0 3 319.355 2.281 20 30 DEEDHN C#CCN(C(=O)c1cc(C)no1)C1CCN(CC(=C)C)CC1 ZINC001278115002 1138684029 /nfs/dbraw/zinc/68/40/29/1138684029.db2.gz FFPDAVBLOBUYNG-UHFFFAOYSA-N 0 3 301.390 2.099 20 30 DEEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1c[nH]nc1CC)CC2 ZINC001237648869 1138736929 /nfs/dbraw/zinc/73/69/29/1138736929.db2.gz FQNCQLHFLKCHSX-UHFFFAOYSA-N 0 3 318.421 2.193 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)N[C@H](C)c2cccc(F)c2)C1 ZINC001278148727 1138797418 /nfs/dbraw/zinc/79/74/18/1138797418.db2.gz ZNKRWVADCWHINV-CZUORRHYSA-N 0 3 320.408 2.310 20 30 DEEDHN N#Cc1ccc(CN2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c(F)c1 ZINC001278304538 1139176746 /nfs/dbraw/zinc/17/67/46/1139176746.db2.gz BGMGBABCHATJEW-RHSMWYFYSA-N 0 3 301.365 2.175 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001295597674 1139459817 /nfs/dbraw/zinc/45/98/17/1139459817.db2.gz LPYPSIBWWBCYPB-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN CCn1nccc1-c1nc2ccccc2nc1C(C#N)C(=O)OC ZINC001240694901 1139522684 /nfs/dbraw/zinc/52/26/84/1139522684.db2.gz PJSHDHDFCDSCPY-LLVKDONJSA-N 0 3 321.340 2.293 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001295872613 1139621138 /nfs/dbraw/zinc/62/11/38/1139621138.db2.gz XNDLUHOBTMYKHT-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CCN1CCN(c2ccc(-c3cncc(CC#N)n3)cc2)CC1 ZINC001241742500 1139848008 /nfs/dbraw/zinc/84/80/08/1139848008.db2.gz KRZPOSMZDSNMKL-UHFFFAOYSA-N 0 3 307.401 2.352 20 30 DEEDHN Cc1oncc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242601606 1140005174 /nfs/dbraw/zinc/00/51/74/1140005174.db2.gz RUFXAJWAUMAWTI-SNVBAGLBSA-N 0 3 300.318 2.389 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001491744348 1140293161 /nfs/dbraw/zinc/29/31/61/1140293161.db2.gz BHWCDZVBZFFJJC-KRWDZBQOSA-N 0 3 314.404 2.461 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCn2nc(C)cc2C)C1 ZINC001318482267 1140345978 /nfs/dbraw/zinc/34/59/78/1140345978.db2.gz GINALHYEGZQPEP-QGZVFWFLSA-N 0 3 318.465 2.389 20 30 DEEDHN Cc1nocc1CNC[C@](C)(NC(=O)C#CC(C)C)C1CC1 ZINC001318685275 1140385283 /nfs/dbraw/zinc/38/52/83/1140385283.db2.gz GJDNJRAILAWEBE-KRWDZBQOSA-N 0 3 303.406 2.017 20 30 DEEDHN CCCCC(=O)N1CCC2(CCN(CC#CCOC)C2)CC1 ZINC001319139676 1140511816 /nfs/dbraw/zinc/51/18/16/1140511816.db2.gz JGUJCIPMJZWRCB-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)C(C)(F)F ZINC001319415909 1140565990 /nfs/dbraw/zinc/56/59/90/1140565990.db2.gz DYPVOJBPQLRJDA-LBPRGKRZSA-N 0 3 312.335 2.269 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)N1CCCCC1 ZINC001319512249 1140605909 /nfs/dbraw/zinc/60/59/09/1140605909.db2.gz WUJPORZVAGTLAQ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CC12CC2 ZINC001319538594 1140612127 /nfs/dbraw/zinc/61/21/27/1140612127.db2.gz UMYHDAMGORWBFZ-RHSMWYFYSA-N 0 3 314.404 2.414 20 30 DEEDHN COC[C@H](C)CC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319550552 1140614393 /nfs/dbraw/zinc/61/43/93/1140614393.db2.gz GYNXWJUKRXYNPX-SJORKVTESA-N 0 3 316.445 2.147 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)CCCC1CCCC1 ZINC001319592618 1140621198 /nfs/dbraw/zinc/62/11/98/1140621198.db2.gz KFDDEJBLXINCKS-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCN(C)C[C@@H]2CCCCO2)cc1 ZINC001320034802 1140814662 /nfs/dbraw/zinc/81/46/62/1140814662.db2.gz XOSVZHGXRMRKSA-SFHVURJKSA-N 0 3 314.429 2.241 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2cnoc2C)C1 ZINC001320097656 1140821017 /nfs/dbraw/zinc/82/10/17/1140821017.db2.gz NWUSKPQHCPBXMP-WBVHZDCISA-N 0 3 315.417 2.209 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1cnns1 ZINC001320150437 1140829869 /nfs/dbraw/zinc/82/98/69/1140829869.db2.gz BTIYSCKFTNNJOO-JSGCOSHPSA-N 0 3 308.451 2.269 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001320294989 1140845512 /nfs/dbraw/zinc/84/55/12/1140845512.db2.gz SNLZEYSWBVORRR-GOEBONIOSA-N 0 3 305.422 2.007 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001278427208 1140854192 /nfs/dbraw/zinc/85/41/92/1140854192.db2.gz PLUKJLMMZWARPM-MRXNPFEDSA-N 0 3 312.335 2.413 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001320438710 1140866255 /nfs/dbraw/zinc/86/62/55/1140866255.db2.gz BCKUIRWTJBAADE-KRWDZBQOSA-N 0 3 319.449 2.269 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ncn2ccc(C)cc12 ZINC001320474713 1140869853 /nfs/dbraw/zinc/86/98/53/1140869853.db2.gz SVERXEDDGWMAHZ-ZDUSSCGKSA-N 0 3 320.824 2.493 20 30 DEEDHN C=C[C@H](COC)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001320584450 1140882852 /nfs/dbraw/zinc/88/28/52/1140882852.db2.gz SFVOTNNMCVHVGV-HWOWSKLDSA-N 0 3 309.454 2.093 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(CCc1ccccc1)CCN(C)C ZINC001320606325 1140885097 /nfs/dbraw/zinc/88/50/97/1140885097.db2.gz VAMYKCJNIZHMKU-KRWDZBQOSA-N 0 3 319.449 2.003 20 30 DEEDHN CCN(CCNCC#Cc1ccccc1)C(=O)c1ccccc1O ZINC001320682208 1140894403 /nfs/dbraw/zinc/89/44/03/1140894403.db2.gz CTAMTYVMQYIESL-UHFFFAOYSA-N 0 3 322.408 2.496 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@@H](C)c1c(C)noc1C ZINC001320780642 1140922404 /nfs/dbraw/zinc/92/24/04/1140922404.db2.gz VVMSSOBWHDGHMN-CYBMUJFWSA-N 0 3 305.422 2.246 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC(F)(F)C(F)F)CCC[C@H]12 ZINC001278461522 1141033215 /nfs/dbraw/zinc/03/32/15/1141033215.db2.gz WWLYSZTWSZAJBV-GXFFZTMASA-N 0 3 306.303 2.023 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1oc2c(cccc2F)c1C ZINC001321097677 1141051929 /nfs/dbraw/zinc/05/19/29/1141051929.db2.gz XWUWAKLIMLYDKX-PLNGDYQASA-N 0 3 300.333 2.389 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001321373166 1141208236 /nfs/dbraw/zinc/20/82/36/1141208236.db2.gz TXOLMQXEDWRKBE-WAYWQWQTSA-N 0 3 309.413 2.304 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)N1CCCCCC1 ZINC001321532028 1141301965 /nfs/dbraw/zinc/30/19/65/1141301965.db2.gz ULJZOHRGTLVJEX-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CNCc1cccc2c1OCCO2 ZINC001321531955 1141302413 /nfs/dbraw/zinc/30/24/13/1141302413.db2.gz QZMYORRVYCYMNJ-CQSZACIVSA-N 0 3 318.417 2.408 20 30 DEEDHN COc1ccc(CNC[C@H](C)NC(=O)C#CC(C)(C)C)cc1F ZINC001321842423 1141352694 /nfs/dbraw/zinc/35/26/94/1141352694.db2.gz QMWAFJJWYZHOAR-ZDUSSCGKSA-N 0 3 320.408 2.478 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)C1(CC(C)C)CCCC1 ZINC001322022641 1141383300 /nfs/dbraw/zinc/38/33/00/1141383300.db2.gz AEBIOVRLUCRKIP-INIZCTEOSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001322155351 1141419066 /nfs/dbraw/zinc/41/90/66/1141419066.db2.gz BWZPIBOEZGSAJQ-AAEUAGOBSA-N 0 3 309.435 2.231 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)CCc1cccc(N(C)C)c1 ZINC001322230840 1141483462 /nfs/dbraw/zinc/48/34/62/1141483462.db2.gz OCPBJFVCFVFBAZ-OAHLLOKOSA-N 0 3 303.450 2.308 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCNCc1ccn(C2CCCC2)n1 ZINC001322442359 1141588014 /nfs/dbraw/zinc/58/80/14/1141588014.db2.gz KITWHQRFQZCYPT-CQSZACIVSA-N 0 3 317.437 2.096 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1c(C)noc1Cl ZINC001322739541 1141704193 /nfs/dbraw/zinc/70/41/93/1141704193.db2.gz XBRYXKAGDCKNQN-UHFFFAOYSA-N 0 3 320.220 2.370 20 30 DEEDHN C#CCN(CC1CC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001322950717 1141777508 /nfs/dbraw/zinc/77/75/08/1141777508.db2.gz CKXGBNZTAZJNIG-SFHVURJKSA-N 0 3 311.429 2.165 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001323241092 1141831590 /nfs/dbraw/zinc/83/15/90/1141831590.db2.gz FGEISGYBDULYIT-CABCVRRESA-N 0 3 304.438 2.163 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CCc1ccc(N(C)C)cc1 ZINC001323261045 1141834325 /nfs/dbraw/zinc/83/43/25/1141834325.db2.gz ZUUARQKTACAZQI-GOSISDBHSA-N 0 3 315.461 2.452 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H]1CCN1CCCOC)c1ccccc1 ZINC001323356873 1141845693 /nfs/dbraw/zinc/84/56/93/1141845693.db2.gz LQPLGYPZBIUOQW-SJORKVTESA-N 0 3 302.418 2.183 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001323592522 1141867925 /nfs/dbraw/zinc/86/79/25/1141867925.db2.gz UEBVNQICISPLFM-OAHLLOKOSA-N 0 3 308.466 2.337 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cccc(OC)c3OC)no2)CCCN1 ZINC001249351660 1141877240 /nfs/dbraw/zinc/87/72/40/1141877240.db2.gz AGPUEICZXVMKKA-QGZVFWFLSA-N 0 3 313.357 2.356 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(CNCc2nccn2C)C1 ZINC001278536875 1142029151 /nfs/dbraw/zinc/02/91/51/1142029151.db2.gz TYXJCMDPIOLULA-YJBOKZPZSA-N 0 3 318.465 2.351 20 30 DEEDHN COc1ccc(F)c(CNCCNc2ncccc2C#N)c1 ZINC001324271737 1142044452 /nfs/dbraw/zinc/04/44/52/1142044452.db2.gz CPKMRAZGBMBZLR-UHFFFAOYSA-N 0 3 300.337 2.303 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)[C@H](C)COC)C1CCN(CC=C)CC1 ZINC001324396124 1142069742 /nfs/dbraw/zinc/06/97/42/1142069742.db2.gz DNYZLMPSSUIVSH-CVEARBPZSA-N 0 3 306.450 2.017 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](N[C@H](C)c2n[nH]c(CC)n2)C(C)(C)C1 ZINC001278630665 1142380637 /nfs/dbraw/zinc/38/06/37/1142380637.db2.gz LZZWGTCNTOUMFG-CHWSQXEVSA-N 0 3 319.453 2.221 20 30 DEEDHN C#CCOC[C@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC001251821838 1142515358 /nfs/dbraw/zinc/51/53/58/1142515358.db2.gz YIUOJZVNMUGMMC-QGZVFWFLSA-N 0 3 305.805 2.440 20 30 DEEDHN CCCCCCCC[C@@H](O)CNC1CN(c2cnccn2)C1 ZINC001252139022 1142654211 /nfs/dbraw/zinc/65/42/11/1142654211.db2.gz HKZRRISNJQGHNS-MRXNPFEDSA-N 0 3 306.454 2.366 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001252601611 1142784107 /nfs/dbraw/zinc/78/41/07/1142784107.db2.gz AHSUTBBQJNCWHA-GOSISDBHSA-N 0 3 316.445 2.091 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](CC(=O)OCC)c1cccc(O)c1 ZINC001252619041 1142790629 /nfs/dbraw/zinc/79/06/29/1142790629.db2.gz AKBIGFXAUDAPAF-HOTGVXAUSA-N 0 3 307.390 2.303 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cc(OC2CCOCC2)ccn1 ZINC001252621653 1142791964 /nfs/dbraw/zinc/79/19/64/1142791964.db2.gz FTNWIJXTNBUBNS-OAHLLOKOSA-N 0 3 306.406 2.056 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001253238141 1142856536 /nfs/dbraw/zinc/85/65/36/1142856536.db2.gz BTJDRHXPDJNOOR-ZDUSSCGKSA-N 0 3 321.421 2.133 20 30 DEEDHN N#CC1(c2ccc(F)cc2)CCC(N2CCNC(=O)CC2)CC1 ZINC001254352870 1143087604 /nfs/dbraw/zinc/08/76/04/1143087604.db2.gz HHYKHZPSXYTANI-UHFFFAOYSA-N 0 3 315.392 2.352 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC001340127762 1143273842 /nfs/dbraw/zinc/27/38/42/1143273842.db2.gz CKOXSSNGYFYOQE-KCXAZCMYSA-N 0 3 308.397 2.438 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001278800662 1143292283 /nfs/dbraw/zinc/29/22/83/1143292283.db2.gz PIDGBDUUBFQKCH-CXAGYDPISA-N 0 3 322.836 2.183 20 30 DEEDHN C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCN(CC(C)C)CC1 ZINC001340311392 1143322507 /nfs/dbraw/zinc/32/25/07/1143322507.db2.gz BLXCGGAACCJZQG-HUUCEWRRSA-N 0 3 303.454 2.366 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)NCC)c1 ZINC001340634547 1143386765 /nfs/dbraw/zinc/38/67/65/1143386765.db2.gz GOALTYBHUWQUJT-CQSZACIVSA-N 0 3 304.394 2.450 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC001340805443 1143448030 /nfs/dbraw/zinc/44/80/30/1143448030.db2.gz WKQGJSPOBMBKEB-INIZCTEOSA-N 0 3 316.449 2.372 20 30 DEEDHN CC[C@@H](CC#N)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001255161258 1143452720 /nfs/dbraw/zinc/45/27/20/1143452720.db2.gz XECJYQXHBIAZFT-INIZCTEOSA-N 0 3 300.406 2.216 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCCN(CC)C1=O ZINC001341019805 1143525201 /nfs/dbraw/zinc/52/52/01/1143525201.db2.gz MUPCCAMNEXQNHH-LSDHHAIUSA-N 0 3 311.470 2.191 20 30 DEEDHN CCCCOCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC001341787978 1143706400 /nfs/dbraw/zinc/70/64/00/1143706400.db2.gz SKNDQPVDBVHXPB-GFCCVEGCSA-N 0 3 304.346 2.159 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H]1CCOC(C)(C)C1 ZINC001255543668 1143739516 /nfs/dbraw/zinc/73/95/16/1143739516.db2.gz WDEQZOVRSFZJRK-HOCLYGCPSA-N 0 3 319.449 2.480 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001255601143 1143778913 /nfs/dbraw/zinc/77/89/13/1143778913.db2.gz UHGRWCQSMOETJJ-QWHCGFSZSA-N 0 3 324.446 2.270 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)/C=C\C(C)(C)C)CC1 ZINC001279071949 1143970122 /nfs/dbraw/zinc/97/01/22/1143970122.db2.gz MILOBFUNGIXQAD-JXMNSVBMSA-N 0 3 320.477 2.455 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001263082437 1144354147 /nfs/dbraw/zinc/35/41/47/1144354147.db2.gz HNHNSNWMQRSESO-ZFWWWQNUSA-N 0 3 320.433 2.435 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC(=O)OC)c1cccc(C)c1 ZINC001263176556 1144359699 /nfs/dbraw/zinc/35/96/99/1144359699.db2.gz JGNYHYMUMTUUFM-JKSUJKDBSA-N 0 3 318.417 2.399 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2cccc(OC)c2)COC1 ZINC001263306284 1144367444 /nfs/dbraw/zinc/36/74/44/1144367444.db2.gz TZERBJYTJSFCOD-CQSZACIVSA-N 0 3 316.357 2.159 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001264032391 1144445603 /nfs/dbraw/zinc/44/56/03/1144445603.db2.gz KZTCARPASBFCJZ-QCOQYPAWSA-N 0 3 324.852 2.110 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001264110333 1144470028 /nfs/dbraw/zinc/47/00/28/1144470028.db2.gz UJWQZEKSAZBXQA-LPHOPBHVSA-N 0 3 322.493 2.489 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001264365420 1144513200 /nfs/dbraw/zinc/51/32/00/1144513200.db2.gz XJUVVNCCAXCRME-CQSZACIVSA-N 0 3 304.438 2.475 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001264376302 1144517984 /nfs/dbraw/zinc/51/79/84/1144517984.db2.gz GROWGFQNPMTYIU-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001264382642 1144522905 /nfs/dbraw/zinc/52/29/05/1144522905.db2.gz MRJACGHOGDTQKY-HNNXBMFYSA-N 0 3 304.438 2.095 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCCO)C[C@H]1c1ccccc1 ZINC001264446598 1144541607 /nfs/dbraw/zinc/54/16/07/1144541607.db2.gz DTEPJWNCCVOWAH-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN C=C(C)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC2CCC2)n1 ZINC001264580140 1144570572 /nfs/dbraw/zinc/57/05/72/1144570572.db2.gz MNOFYZBBWOTMKT-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2c(C)cccc2C)C1 ZINC001264634245 1144582784 /nfs/dbraw/zinc/58/27/84/1144582784.db2.gz LMBWHFAJJXGVRK-QGZVFWFLSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCC(=O)NCCC)C1 ZINC001264679728 1144590850 /nfs/dbraw/zinc/59/08/50/1144590850.db2.gz KLACJRVIJQZVTI-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(CCOC)CCCC2)[C@H]1C ZINC001264734857 1144602067 /nfs/dbraw/zinc/60/20/67/1144602067.db2.gz GUMGTJIXZQYPAA-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN CCC1(C(=O)N[C@H]2CCN(CC#CCOC)CC(C)(C)C2)CC1 ZINC001264753479 1144606824 /nfs/dbraw/zinc/60/68/24/1144606824.db2.gz IWGTYPSTBYVJTH-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2ccc(C)s2)CC1 ZINC001265237161 1144674608 /nfs/dbraw/zinc/67/46/08/1144674608.db2.gz PZAKCTOMRHVMLS-UHFFFAOYSA-N 0 3 321.490 2.370 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)/C=C/C(C)(C)C)CC1 ZINC001265240702 1144675045 /nfs/dbraw/zinc/67/50/45/1144675045.db2.gz ZJONXUABGZMOND-BQYQJAHWSA-N 0 3 307.482 2.289 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2cccc(C)c2)CC1 ZINC001265238849 1144675245 /nfs/dbraw/zinc/67/52/45/1144675245.db2.gz SLSXMMFWKFWHCR-UHFFFAOYSA-N 0 3 315.461 2.309 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)OCC(C)C)CC1 ZINC001265323768 1144693120 /nfs/dbraw/zinc/69/31/20/1144693120.db2.gz NFTJAGUZUPSXKQ-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)COc2ccsc2)CC1 ZINC001265334196 1144695307 /nfs/dbraw/zinc/69/53/07/1144695307.db2.gz MBDDZIZTKUCVAI-HNNXBMFYSA-N 0 3 318.442 2.121 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001265338655 1144695362 /nfs/dbraw/zinc/69/53/62/1144695362.db2.gz GUUHRBOCFKTWNB-UHFFFAOYSA-N 0 3 318.465 2.404 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001265679434 1144726793 /nfs/dbraw/zinc/72/67/93/1144726793.db2.gz DGVDBJDKVNMIKG-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCCC(=O)NC[C@H](C)NCc1ccc(C)nc1C ZINC001265768913 1144739294 /nfs/dbraw/zinc/73/92/94/1144739294.db2.gz KMZHTXBHBYBNFC-HNNXBMFYSA-N 0 3 301.434 2.486 20 30 DEEDHN CC(C)CCOCCN1CCC(N(C)C(=O)C#CC2CC2)CC1 ZINC001266181420 1144812090 /nfs/dbraw/zinc/81/20/90/1144812090.db2.gz DJTKGUQERBCECV-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C2(C3CC3)CC2)CC1 ZINC001266185757 1144812410 /nfs/dbraw/zinc/81/24/10/1144812410.db2.gz VWCPMZOBOFKORB-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN N#CCSCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001266205354 1144813977 /nfs/dbraw/zinc/81/39/77/1144813977.db2.gz MNUINQDGWCXSPD-CYBMUJFWSA-N 0 3 323.487 2.128 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC001266214026 1144814976 /nfs/dbraw/zinc/81/49/76/1144814976.db2.gz AHQIMLSFSRXLLD-SJORKVTESA-N 0 3 306.450 2.330 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 ZINC001266230308 1144816798 /nfs/dbraw/zinc/81/67/98/1144816798.db2.gz NUTZUJBXKIVHFD-MRXNPFEDSA-N 0 3 318.465 2.126 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cccc(C)n1 ZINC001279297971 1144820374 /nfs/dbraw/zinc/82/03/74/1144820374.db2.gz VLDJXGZUBKERIT-UHFFFAOYSA-N 0 3 307.397 2.255 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)C(C)(C)C1CCCCC1 ZINC001279846097 1144828742 /nfs/dbraw/zinc/82/87/42/1144828742.db2.gz DWRRYVSWQYJODM-UHFFFAOYSA-N 0 3 308.466 2.027 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)OCc2cccc(C)c2)CCC1 ZINC001280495727 1144842584 /nfs/dbraw/zinc/84/25/84/1144842584.db2.gz YVLIJFAUBDFRFE-MRXNPFEDSA-N 0 3 314.429 2.162 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CCO1 ZINC001280660341 1144848405 /nfs/dbraw/zinc/84/84/05/1144848405.db2.gz WCDULWCIVBWWMV-LJQANCHMSA-N 0 3 322.408 2.294 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnn2c1CCCC2 ZINC001316606864 1144860952 /nfs/dbraw/zinc/86/09/52/1144860952.db2.gz LVEQPSCBQBIQSN-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001281943318 1144922054 /nfs/dbraw/zinc/92/20/54/1144922054.db2.gz YPUMNEFAWDATGT-ZDUSSCGKSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CCCn2nc(C)cc2C)C1 ZINC001282737857 1145156616 /nfs/dbraw/zinc/15/66/16/1145156616.db2.gz CAUXETJDTUUMSD-MRXNPFEDSA-N 0 3 318.465 2.293 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H](C)c2ccco2)C1 ZINC001282744031 1145159002 /nfs/dbraw/zinc/15/90/02/1145159002.db2.gz LAFAOXIJVJQMFB-KBPBESRZSA-N 0 3 306.406 2.022 20 30 DEEDHN C#CCCCC(=O)N1CCC(N(C)Cc2cnoc2C)CC1 ZINC001283301310 1145351560 /nfs/dbraw/zinc/35/15/60/1145351560.db2.gz BDBVZURCXDRIRD-UHFFFAOYSA-N 0 3 303.406 2.209 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)C1(C2CCCCC2)CC1 ZINC001283420758 1145403987 /nfs/dbraw/zinc/40/39/87/1145403987.db2.gz BKYIDPUZNQVUMN-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cn(C(C)(C)C)nc1C ZINC001283608820 1145543817 /nfs/dbraw/zinc/54/38/17/1145543817.db2.gz VQHKYPUOGVRFBE-CYBMUJFWSA-N 0 3 304.438 2.020 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001283713053 1145611891 /nfs/dbraw/zinc/61/18/91/1145611891.db2.gz FJXOZMYWDOFACJ-OAHLLOKOSA-N 0 3 314.429 2.264 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2csc(C3CC3)n2)C1 ZINC001284012809 1145750565 /nfs/dbraw/zinc/75/05/65/1145750565.db2.gz FAAZJLRGOAUPDY-JSGCOSHPSA-N 0 3 317.458 2.165 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2scnc2C)C[C@H]1C ZINC001284030740 1145759212 /nfs/dbraw/zinc/75/92/12/1145759212.db2.gz IAFBRDZJAGBGDY-TZMCWYRMSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)COc3ccsc3)CCC[C@@H]12 ZINC001284073095 1145785532 /nfs/dbraw/zinc/78/55/32/1145785532.db2.gz YPPGMAJJEQFDFH-ZBFHGGJFSA-N 0 3 306.431 2.426 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC001284104853 1145799889 /nfs/dbraw/zinc/79/98/89/1145799889.db2.gz ZMWXIIFAAVKPRM-HZPDHXFCSA-N 0 3 317.433 2.175 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)C2(C)CCCC2)CC1(C)C ZINC001284309141 1145834426 /nfs/dbraw/zinc/83/44/26/1145834426.db2.gz GKVQNCHSNCGPOV-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC001365322221 1145847185 /nfs/dbraw/zinc/84/71/85/1145847185.db2.gz KDPQRPCFLXTROB-KSSFIOAISA-N 0 3 317.408 2.370 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)Cc1cccc(C)c1Cl ZINC001284506839 1145864525 /nfs/dbraw/zinc/86/45/25/1145864525.db2.gz XAHCHFLYDIAHJR-HNNXBMFYSA-N 0 3 324.852 2.128 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001284519505 1145866675 /nfs/dbraw/zinc/86/66/75/1145866675.db2.gz JYUMRYGHIJANCF-IRXDYDNUSA-N 0 3 322.424 2.256 20 30 DEEDHN C=CCCCC(=O)N(C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001284521970 1145866891 /nfs/dbraw/zinc/86/68/91/1145866891.db2.gz BQSVKPRSIRVXSY-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN CC(C)(C)[C@H](CNCc1ccns1)NC(=O)C#CC1CC1 ZINC001284588347 1145875239 /nfs/dbraw/zinc/87/52/39/1145875239.db2.gz ZUSPKCFGTPOLHC-AWEZNQCLSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCCCC(=O)N[C@@H](CN[C@H]1CCN(CC)C1=O)C(C)(C)C ZINC001284625029 1145881004 /nfs/dbraw/zinc/88/10/04/1145881004.db2.gz MGVOVICCHBOESU-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)C1CCN(Cc2cccnc2)CC1 ZINC001284711850 1145893948 /nfs/dbraw/zinc/89/39/48/1145893948.db2.gz CUDZQNMLBPTSNL-INIZCTEOSA-N 0 3 313.445 2.458 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@H](CC)N(C)C)[C@H]1CC ZINC001365870177 1146035425 /nfs/dbraw/zinc/03/54/25/1146035425.db2.gz VYIJCJXOZQCWQC-MJBXVCDLSA-N 0 3 301.862 2.048 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(COC)CCCC2)C1 ZINC001491932099 1147004842 /nfs/dbraw/zinc/00/48/42/1147004842.db2.gz FXUMGTVRNSKWQU-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1cc(F)c[nH]1 ZINC001492058697 1147053546 /nfs/dbraw/zinc/05/35/46/1147053546.db2.gz QIRISISEVQBYAH-VIFPVBQESA-N 0 3 318.190 2.160 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001492163371 1147107338 /nfs/dbraw/zinc/10/73/38/1147107338.db2.gz MZBMMJUTCSXLTR-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN CCc1cccc(CN(C)CCNC(=O)c2c[nH]c(C#N)c2)c1 ZINC001492231244 1147170817 /nfs/dbraw/zinc/17/08/17/1147170817.db2.gz PJDMWICLWVGKJH-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001366269223 1147185956 /nfs/dbraw/zinc/18/59/56/1147185956.db2.gz UOZMVUMMWGPOBC-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](C)C2CC2)cc1C#N ZINC001366273535 1147187780 /nfs/dbraw/zinc/18/77/80/1147187780.db2.gz TZVVHHVNKAGILG-STQMWFEESA-N 0 3 315.417 2.207 20 30 DEEDHN CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001317205787 1147275133 /nfs/dbraw/zinc/27/51/33/1147275133.db2.gz ATPNVOPTCOXNOX-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001366470510 1147298387 /nfs/dbraw/zinc/29/83/87/1147298387.db2.gz FZDPIALPKVGMLV-QWHCGFSZSA-N 0 3 324.856 2.077 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2oc(CC)nc2C)C1 ZINC001317320548 1147332945 /nfs/dbraw/zinc/33/29/45/1147332945.db2.gz PKDUPFZNUBQKQT-HNNXBMFYSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCN(C)CCN(CC)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307152379 1147399316 /nfs/dbraw/zinc/39/93/16/1147399316.db2.gz AFRAPHXNAAIFFV-UHFFFAOYSA-N 0 3 303.366 2.415 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H]3CSC[C@@]3(C)C2)CC1 ZINC001311893754 1147542783 /nfs/dbraw/zinc/54/27/83/1147542783.db2.gz IAUMDJVCXIQUQT-XJKSGUPXSA-N 0 3 309.479 2.031 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2occc2Cl)C1 ZINC001316744761 1147560161 /nfs/dbraw/zinc/56/01/61/1147560161.db2.gz AGOLCWHQUGPMPK-GFCCVEGCSA-N 0 3 312.797 2.018 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2coc(C)c2)[C@H]1CC ZINC001316729734 1147589637 /nfs/dbraw/zinc/58/96/37/1147589637.db2.gz QAXHPZBMBYRUSN-JKSUJKDBSA-N 0 3 306.406 2.373 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001316748598 1147593812 /nfs/dbraw/zinc/59/38/12/1147593812.db2.gz KFAYMAQUKMGYHU-AEFFLSMTSA-N 0 3 306.450 2.204 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc(OC)c1)C1CC1 ZINC001316926344 1147633144 /nfs/dbraw/zinc/63/31/44/1147633144.db2.gz CHDNOXGDUUTXKF-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001367045596 1147639208 /nfs/dbraw/zinc/63/92/08/1147639208.db2.gz DXQPLMIPPMEALA-PBHICJAKSA-N 0 3 322.412 2.427 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001316963815 1147639750 /nfs/dbraw/zinc/63/97/50/1147639750.db2.gz QTIGSLGWZCQGQN-GOSISDBHSA-N 0 3 319.493 2.433 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001316987783 1147644619 /nfs/dbraw/zinc/64/46/19/1147644619.db2.gz VMKAVGLVWYQDDL-UONOGXRCSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(Br)CNCC1(NC(=O)C2CC2)CCCC1 ZINC001367146120 1147656677 /nfs/dbraw/zinc/65/66/77/1147656677.db2.gz ODWBGZKFBBVQPN-UHFFFAOYSA-N 0 3 301.228 2.324 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001367169685 1147659533 /nfs/dbraw/zinc/65/95/33/1147659533.db2.gz ADWJLIAYHXWGSS-OAHLLOKOSA-N 0 3 306.797 2.127 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2csc(C)n2)C1 ZINC001317203687 1147676285 /nfs/dbraw/zinc/67/62/85/1147676285.db2.gz KAWGYCGDSUVLSG-ZFWWWQNUSA-N 0 3 319.474 2.234 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(CC)nn2C)CCCC1 ZINC001367325112 1147678515 /nfs/dbraw/zinc/67/85/15/1147678515.db2.gz ZANOOPDJGUUIEO-UHFFFAOYSA-N 0 3 324.856 2.367 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H](C)NCc2cccc(F)c2)c1 ZINC001317263518 1147684061 /nfs/dbraw/zinc/68/40/61/1147684061.db2.gz DBDOXDJYCUKZJI-CYBMUJFWSA-N 0 3 311.360 2.110 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cc(F)c[nH]1 ZINC001367381581 1147686813 /nfs/dbraw/zinc/68/68/13/1147686813.db2.gz OPSRZOFZPSVKCQ-JTQLQIEISA-N 0 3 320.393 2.337 20 30 DEEDHN CCCc1ccc(C(=O)N2CC[C@H](NCC#CCOC)C2)cc1 ZINC001317304943 1147688330 /nfs/dbraw/zinc/68/83/30/1147688330.db2.gz SUMJQEAHERHDBA-SFHVURJKSA-N 0 3 314.429 2.093 20 30 DEEDHN C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001317363181 1147696453 /nfs/dbraw/zinc/69/64/53/1147696453.db2.gz FUJCUDSGPKJJCF-ZIAGYGMSSA-N 0 3 318.421 2.087 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2CC3(C2)CCOCC3)C1 ZINC001317382715 1147700251 /nfs/dbraw/zinc/70/02/51/1147700251.db2.gz UOXLJUYAFTVNFH-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN Cc1ccccc1OCCCN(C)CCNC(=O)C#CC1CC1 ZINC001317447709 1147710269 /nfs/dbraw/zinc/71/02/69/1147710269.db2.gz DZXXLHMUFLAPIM-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCCN(C)CCNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001317464657 1147712357 /nfs/dbraw/zinc/71/23/57/1147712357.db2.gz AIYGGBIWTIOGAG-UHFFFAOYSA-N 0 3 307.463 2.054 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC001317522328 1147719576 /nfs/dbraw/zinc/71/95/76/1147719576.db2.gz KMDARUQAHMMKFC-OAHLLOKOSA-N 0 3 320.408 2.275 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001317535177 1147721908 /nfs/dbraw/zinc/72/19/08/1147721908.db2.gz OALWXEACPRPAHV-KRWDZBQOSA-N 0 3 310.441 2.179 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001317543523 1147722989 /nfs/dbraw/zinc/72/29/89/1147722989.db2.gz WPIXRXBBEVPTCK-IRXDYDNUSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCC)CCNC(=O)C1(c2cccc(OC)c2)CC1 ZINC001317546773 1147723287 /nfs/dbraw/zinc/72/32/87/1147723287.db2.gz UJVZIXLDIKDTIM-UHFFFAOYSA-N 0 3 314.429 2.188 20 30 DEEDHN Cc1cnccc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001367671562 1147724921 /nfs/dbraw/zinc/72/49/21/1147724921.db2.gz OAHWEJRUNJOWGR-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN Cc1cncc(C(=O)N(C)CCNCc2ccc(C#N)cc2)c1 ZINC001317579510 1147728544 /nfs/dbraw/zinc/72/85/44/1147728544.db2.gz ZJCMWNACDCWYCI-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001317587103 1147729790 /nfs/dbraw/zinc/72/97/90/1147729790.db2.gz VDNWHAXKGUGYBR-CQSZACIVSA-N 0 3 314.385 2.019 20 30 DEEDHN CS[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001367723625 1147733193 /nfs/dbraw/zinc/73/31/93/1147733193.db2.gz UORBGDFJOLJERC-WDEREUQCSA-N 0 3 309.410 2.043 20 30 DEEDHN Cc1cocc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001317619144 1147733707 /nfs/dbraw/zinc/73/37/07/1147733707.db2.gz YZWBDCOTDVDITL-UHFFFAOYSA-N 0 3 303.387 2.383 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCC(=O)N1CCCC[C@@H]1C ZINC001317623515 1147734473 /nfs/dbraw/zinc/73/44/73/1147734473.db2.gz NVPONVKQAFMCCS-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCNCc1cccc(F)c1 ZINC001317640332 1147737416 /nfs/dbraw/zinc/73/74/16/1147737416.db2.gz RQYKDXYCZYLHMY-IRXDYDNUSA-N 0 3 320.408 2.355 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](NCC=C)c2ccccc2)nc1 ZINC001317726995 1147747626 /nfs/dbraw/zinc/74/76/26/1147747626.db2.gz IHCCINNRJOBWRX-GOSISDBHSA-N 0 3 305.381 2.310 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H](NCCO)c1ccccc1)c1ccccc1 ZINC001317728256 1147747948 /nfs/dbraw/zinc/74/79/48/1147747948.db2.gz IEAQGLTXFJNXGM-OALUTQOASA-N 0 3 324.424 2.396 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001317978071 1147764347 /nfs/dbraw/zinc/76/43/47/1147764347.db2.gz WGVKYFQDLLUDAI-ZBFHGGJFSA-N 0 3 304.438 2.070 20 30 DEEDHN C=C[C@H](CC(=O)NCC1CN([C@H](C)COC)C1)c1ccccc1 ZINC001318177431 1147790830 /nfs/dbraw/zinc/79/08/30/1147790830.db2.gz WRUJAVNMCHOCBN-NVXWUHKLSA-N 0 3 316.445 2.429 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCOc2cccc(C)c2C)C1 ZINC001318257921 1147805487 /nfs/dbraw/zinc/80/54/87/1147805487.db2.gz XKQUAWDEBWJMBH-KRWDZBQOSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccccc2CC)C1 ZINC001318302423 1147808876 /nfs/dbraw/zinc/80/88/76/1147808876.db2.gz MSVCVDPPIJQSDS-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001324656596 1147826307 /nfs/dbraw/zinc/82/63/07/1147826307.db2.gz NFXQDGHQQNADKA-INIZCTEOSA-N 0 3 305.447 2.330 20 30 DEEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)CCOC)CC1 ZINC001368049842 1147841872 /nfs/dbraw/zinc/84/18/72/1147841872.db2.gz JGKRGCJDNMKNIX-UHFFFAOYSA-N 0 3 314.857 2.478 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ncccc2F)C1 ZINC001324958251 1147861875 /nfs/dbraw/zinc/86/18/75/1147861875.db2.gz RKXUKZIVABYKMS-KRWDZBQOSA-N 0 3 305.397 2.168 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)CCC2CCCCC2)C1 ZINC001325152675 1147880782 /nfs/dbraw/zinc/88/07/82/1147880782.db2.gz BLCSCJKEOANACZ-SFHVURJKSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001325633553 1147970740 /nfs/dbraw/zinc/97/07/40/1147970740.db2.gz AOZGGVJDUPLUBU-USXIJHARSA-N 0 3 317.433 2.322 20 30 DEEDHN Cc1ncsc1CN1C[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C1 ZINC001325738058 1147993825 /nfs/dbraw/zinc/99/38/25/1147993825.db2.gz XZZJILJYPHSLLC-GASCZTMLSA-N 0 3 317.458 2.001 20 30 DEEDHN C=C(C)CCN1CCC[C@@](CO)(NC(=O)c2cc(C)co2)C1 ZINC001325849118 1148007964 /nfs/dbraw/zinc/00/79/64/1148007964.db2.gz QJENPNSJNYFEIP-QGZVFWFLSA-N 0 3 306.406 2.111 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001325859456 1148009519 /nfs/dbraw/zinc/00/95/19/1148009519.db2.gz DPZZONOUODOICC-GOSISDBHSA-N 0 3 320.408 2.267 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCC(=O)N(C)C(C)C)CCC1 ZINC001326878317 1148279452 /nfs/dbraw/zinc/27/94/52/1148279452.db2.gz TUCKYCLYNCTEOF-KRWDZBQOSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1ccccc1OCCN1CC[C@](C)(NC(=O)[C@H](C)C#N)C1 ZINC001368154052 1148282912 /nfs/dbraw/zinc/28/29/12/1148282912.db2.gz PJVYEVUVPQMVBM-QAPCUYQASA-N 0 3 315.417 2.114 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C23CCC(CC2)C3(C)C)CCO1 ZINC001327033284 1148313698 /nfs/dbraw/zinc/31/36/98/1148313698.db2.gz DVYGHHUQTKNQKR-KOHRHEQBSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC001327053169 1148317065 /nfs/dbraw/zinc/31/70/65/1148317065.db2.gz OUNJMVDPHJRXKO-ZWKOTPCHSA-N 0 3 302.418 2.169 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCO1 ZINC001327080651 1148322305 /nfs/dbraw/zinc/32/23/05/1148322305.db2.gz LTBWZXIUSHNXOU-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C1CCN(C2CC2)CC1 ZINC000330113426 282097055 /nfs/dbraw/zinc/09/70/55/282097055.db2.gz CXLPDZISQFKNQL-AWEZNQCLSA-N 0 3 303.410 2.252 20 30 DEEDHN CC[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccn(C)n1 ZINC000612571069 361863332 /nfs/dbraw/zinc/86/33/32/361863332.db2.gz QSWRAJXFTIPGFY-INIZCTEOSA-N 0 3 324.432 2.396 20 30 DEEDHN Cc1cc(S(=O)(=O)NCCN(C)C2CCCC2)ccc1C#N ZINC000318518499 231171329 /nfs/dbraw/zinc/17/13/29/231171329.db2.gz IBZJDQSCTRPAJC-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000278767953 214387262 /nfs/dbraw/zinc/38/72/62/214387262.db2.gz WSJCGKHLKKPDBL-SJLPKXTDSA-N 0 3 302.418 2.094 20 30 DEEDHN CC[C@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339625454 529584485 /nfs/dbraw/zinc/58/44/85/529584485.db2.gz CIGLNIMNWOIZIV-MXWKQRLJSA-N 0 3 305.344 2.314 20 30 DEEDHN COCCN1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613422956 362106924 /nfs/dbraw/zinc/10/69/24/362106924.db2.gz KLWQPFKMRGKGKH-AWEZNQCLSA-N 0 3 302.422 2.383 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@](C)(O)c2ccccc2)CC1 ZINC000272810936 210211611 /nfs/dbraw/zinc/21/16/11/210211611.db2.gz NJPRXHVNSIJSFV-GOSISDBHSA-N 0 3 302.418 2.051 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3cnnn3)c(C)c2)n1 ZINC000073974135 539351657 /nfs/dbraw/zinc/35/16/57/539351657.db2.gz HPYBSQGQDVHAJA-LBPRGKRZSA-N 0 3 324.369 2.226 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)C(C)C ZINC000272773581 210177067 /nfs/dbraw/zinc/17/70/67/210177067.db2.gz MZAVQAXHKNLVKE-UHFFFAOYSA-N 0 3 304.394 2.371 20 30 DEEDHN CN(Cc1nc2ccccc2s1)C(=O)[C@H](N)CCCC#N ZINC000424137319 530023995 /nfs/dbraw/zinc/02/39/95/530023995.db2.gz OVVXMBLQQCIWIX-LLVKDONJSA-N 0 3 302.403 2.276 20 30 DEEDHN CN1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000269693439 530053382 /nfs/dbraw/zinc/05/33/82/530053382.db2.gz OPKWRYZUPWQEGC-INIZCTEOSA-N 0 3 300.406 2.379 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1nc2ccc(F)cc2n1C ZINC001353549850 1151838179 /nfs/dbraw/zinc/83/81/79/1151838179.db2.gz XORKNQFGBXDFNC-CYBMUJFWSA-N 0 3 318.396 2.055 20 30 DEEDHN COCCN(CCC#N)C(=O)Nc1ccccc1CCN(C)C ZINC000615050412 362519998 /nfs/dbraw/zinc/51/99/98/362519998.db2.gz ZWLQLVMCFOADAH-UHFFFAOYSA-N 0 3 318.421 2.185 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)C(C)C ZINC000615575110 362643895 /nfs/dbraw/zinc/64/38/95/362643895.db2.gz ZDOGLMUFXWDXLU-NVXWUHKLSA-N 0 3 322.428 2.332 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H](C)C2CCOCC2)c(C#N)c1C ZINC000179876838 282457750 /nfs/dbraw/zinc/45/77/50/282457750.db2.gz UEIDOLBSMWYCMM-RYUDHWBXSA-N 0 3 319.405 2.500 20 30 DEEDHN C#CCOc1ccccc1CNC[C@@H]1CCCN(C(C)=O)C1 ZINC000279631359 215020041 /nfs/dbraw/zinc/02/00/41/215020041.db2.gz BUMOAACLKHSXMB-INIZCTEOSA-N 0 3 300.402 2.047 20 30 DEEDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)c(F)c1 ZINC000286895640 219213684 /nfs/dbraw/zinc/21/36/84/219213684.db2.gz DGBIHXDKRUVYGD-NWDGAFQWSA-N 0 3 310.394 2.173 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000626061971 366031775 /nfs/dbraw/zinc/03/17/75/366031775.db2.gz BENJLJSOIRUVJZ-OAHLLOKOSA-N 0 3 303.450 2.261 20 30 DEEDHN CCCNC(=O)C1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000328719521 539909974 /nfs/dbraw/zinc/90/99/74/539909974.db2.gz VPAHWXMLDNIDBI-UHFFFAOYSA-N 0 3 321.465 2.466 20 30 DEEDHN C=CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H](C)COC ZINC000617580178 363194737 /nfs/dbraw/zinc/19/47/37/363194737.db2.gz RSPSQKOCOVUFNC-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN Cc1nnc2n1C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)CC2 ZINC000329950383 539932292 /nfs/dbraw/zinc/93/22/92/539932292.db2.gz LWBUCZLDJNLELQ-HIFRSBDPSA-N 0 3 319.453 2.370 20 30 DEEDHN C[C@@H]1COCC[C@H]1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000330350415 539938117 /nfs/dbraw/zinc/93/81/17/539938117.db2.gz LBBOVSHTVBYBGQ-HUUCEWRRSA-N 0 3 310.438 2.403 20 30 DEEDHN C=CCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000617616194 363203734 /nfs/dbraw/zinc/20/37/34/363203734.db2.gz MWBMICVPPSKLJF-UHFFFAOYSA-N 0 3 301.434 2.199 20 30 DEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cccc(C#N)c1 ZINC000173668223 198238520 /nfs/dbraw/zinc/23/85/20/198238520.db2.gz FEQXEZMEPONNHF-OAHLLOKOSA-N 0 3 321.446 2.053 20 30 DEEDHN O=C(NCC#Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000045430604 354255713 /nfs/dbraw/zinc/25/57/13/354255713.db2.gz YWAHMRTWQJKUSN-UHFFFAOYSA-N 0 3 311.429 2.308 20 30 DEEDHN CCN1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000048193489 354344950 /nfs/dbraw/zinc/34/49/50/354344950.db2.gz VPOURKRNXIGAOD-UHFFFAOYSA-N 0 3 317.458 2.392 20 30 DEEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)C[C@H]1CCOC1 ZINC000052072238 354393200 /nfs/dbraw/zinc/39/32/00/354393200.db2.gz ODQJHKHJFQCVHD-MRXNPFEDSA-N 0 3 315.417 2.292 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000054339060 354458800 /nfs/dbraw/zinc/45/88/00/354458800.db2.gz QCMQZGOAJQTWRX-UHFFFAOYSA-N 0 3 307.438 2.220 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(N(CC)CC)nc2)CC1 ZINC000057172928 354560106 /nfs/dbraw/zinc/56/01/06/354560106.db2.gz CARALNZJVJGAGI-UHFFFAOYSA-N 0 3 314.433 2.212 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1OC ZINC000057722279 354578753 /nfs/dbraw/zinc/57/87/53/354578753.db2.gz RLASRMAXUKJFHZ-CYBMUJFWSA-N 0 3 318.417 2.473 20 30 DEEDHN CN1CCN(Cc2ccc(CNc3ccc(C#N)cn3)cc2)CC1 ZINC000060741752 354619996 /nfs/dbraw/zinc/61/99/96/354619996.db2.gz RUXLSMPONXOVMQ-UHFFFAOYSA-N 0 3 321.428 2.313 20 30 DEEDHN Cn1cc(CCN2CCCN(c3ccccc3C#N)CC2)cn1 ZINC000077265617 355194864 /nfs/dbraw/zinc/19/48/64/355194864.db2.gz OCAMEXZMWNVAGU-UHFFFAOYSA-N 0 3 309.417 2.047 20 30 DEEDHN CN(CCN1CCCC1)C(=O)c1cccc(SCC#N)c1 ZINC000079541575 355315275 /nfs/dbraw/zinc/31/52/75/355315275.db2.gz KOLPWCPDXYXDCI-UHFFFAOYSA-N 0 3 303.431 2.470 20 30 DEEDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc2cc(C#N)ccc2n1 ZINC000092896245 355655959 /nfs/dbraw/zinc/65/59/59/355655959.db2.gz AVKNDGHGXBIMFK-AWEZNQCLSA-N 0 3 309.417 2.154 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](N)CC)cc1 ZINC000129427544 355834503 /nfs/dbraw/zinc/83/45/03/355834503.db2.gz SQPYVUDHIULEQQ-OAHLLOKOSA-N 0 3 301.390 2.177 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000170936110 355995173 /nfs/dbraw/zinc/99/51/73/355995173.db2.gz ORUNXTBSGXVSDZ-UHFFFAOYSA-N 0 3 318.396 2.181 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000182351113 356122454 /nfs/dbraw/zinc/12/24/54/356122454.db2.gz ZMNSYVZBTOTHDR-OLZOCXBDSA-N 0 3 306.435 2.344 20 30 DEEDHN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1cccc(C#N)c1 ZINC000181988363 356104070 /nfs/dbraw/zinc/10/40/70/356104070.db2.gz QMIKIIGJYBNHDO-CYBMUJFWSA-N 0 3 309.369 2.273 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595608979 358500914 /nfs/dbraw/zinc/50/09/14/358500914.db2.gz DJQAGYQFIZJGRV-DLBZAZTESA-N 0 3 313.401 2.118 20 30 DEEDHN C[C@H]1C[C@]1(C#N)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000351124966 356618092 /nfs/dbraw/zinc/61/80/92/356618092.db2.gz XLTFRUNCROFCMX-YVEFUNNKSA-N 0 3 312.373 2.478 20 30 DEEDHN N#Cc1cncc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000401338638 356726392 /nfs/dbraw/zinc/72/63/92/356726392.db2.gz QPBLGAHMKRMZIG-IAGOWNOFSA-N 0 3 319.412 2.307 20 30 DEEDHN N#CC1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000578590958 356839071 /nfs/dbraw/zinc/83/90/71/356839071.db2.gz GZAUHYUPGMJQDV-INIZCTEOSA-N 0 3 312.417 2.426 20 30 DEEDHN Cc1nc(C)n(C2CN(C(=O)C(C#N)CCc3ccccc3)C2)n1 ZINC000579852029 357043633 /nfs/dbraw/zinc/04/36/33/357043633.db2.gz ZNFQUPGVELZAPD-INIZCTEOSA-N 0 3 323.400 2.051 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000580948691 357106340 /nfs/dbraw/zinc/10/63/40/357106340.db2.gz HPVVEBPHLOIPOH-NPJQDHAYSA-N 0 3 304.438 2.050 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)c1ccco1 ZINC000588724724 357419891 /nfs/dbraw/zinc/41/98/91/357419891.db2.gz AFSHAIRUJIECPI-WOSRLPQWSA-N 0 3 322.384 2.356 20 30 DEEDHN CN(C)CCn1cc(NC(=O)Nc2ccc(C#N)c(F)c2)cn1 ZINC000589344459 357465692 /nfs/dbraw/zinc/46/56/92/357465692.db2.gz NXAXBXAVCXOCNH-UHFFFAOYSA-N 0 3 316.340 2.099 20 30 DEEDHN N#Cc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000589419561 357468460 /nfs/dbraw/zinc/46/84/60/357468460.db2.gz GEAUJTJMIPGMMK-QGZVFWFLSA-N 0 3 320.396 2.348 20 30 DEEDHN N#Cc1cccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000589460080 357471744 /nfs/dbraw/zinc/47/17/44/357471744.db2.gz WIKQFFSROUPQKW-MRXNPFEDSA-N 0 3 320.396 2.205 20 30 DEEDHN CN1C[C@@H]2CCN(Cc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000590011846 357512939 /nfs/dbraw/zinc/51/29/39/357512939.db2.gz WQBQZAFXVGFQRE-DZGCQCFKSA-N 0 3 320.234 2.457 20 30 DEEDHN CN(C)C1(CNS(=O)(=O)CC(C)(C)CC#N)CCCCC1 ZINC000590739599 357596222 /nfs/dbraw/zinc/59/62/22/357596222.db2.gz ULJSLCOGJRJKIQ-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN CCC[C@@H](CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591373992 357716092 /nfs/dbraw/zinc/71/60/92/357716092.db2.gz DLNFTRBRFQOLJN-DLBZAZTESA-N 0 3 315.417 2.458 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC2(CC1)OCc1ccccc12 ZINC000591621761 357744768 /nfs/dbraw/zinc/74/47/68/357744768.db2.gz PVMOVDPTVNRHCJ-INIZCTEOSA-N 0 3 313.401 2.056 20 30 DEEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@@H](O)CN(C)CCC#N ZINC000591728033 357754313 /nfs/dbraw/zinc/75/43/13/357754313.db2.gz FEMPMOSHORKAFE-ZBFHGGJFSA-N 0 3 319.449 2.398 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000591911852 357792506 /nfs/dbraw/zinc/79/25/06/357792506.db2.gz WMWBHAOHJFQKMF-INIZCTEOSA-N 0 3 300.406 2.184 20 30 DEEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000592507965 357889886 /nfs/dbraw/zinc/88/98/86/357889886.db2.gz KSFFAFJREQFFNC-CVEARBPZSA-N 0 3 313.405 2.284 20 30 DEEDHN N#Cc1cnccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593055501 357997519 /nfs/dbraw/zinc/99/75/19/357997519.db2.gz KWODWJQQEYKATG-MNOVXSKESA-N 0 3 313.279 2.061 20 30 DEEDHN COC(=O)[C@@H]1CN(CCOc2ccccc2C#N)C[C@H]1C1CC1 ZINC000593129012 358017221 /nfs/dbraw/zinc/01/72/21/358017221.db2.gz NUYGBBDEXXBIKS-JKSUJKDBSA-N 0 3 314.385 2.068 20 30 DEEDHN C[C@H](COCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593332055 358056774 /nfs/dbraw/zinc/05/67/74/358056774.db2.gz KQAFQICDWGGAJT-DYVFJYSZSA-N 0 3 311.385 2.172 20 30 DEEDHN C=C[C@H](O)C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000666976816 540373125 /nfs/dbraw/zinc/37/31/25/540373125.db2.gz PTTJKGCINKXYCL-XIRDDKMYSA-N 0 3 302.418 2.217 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666980002 540374516 /nfs/dbraw/zinc/37/45/16/540374516.db2.gz MWWMHIOJHJVYDS-OAHLLOKOSA-N 0 3 309.454 2.284 20 30 DEEDHN Cc1n[nH]cc1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693353 358124859 /nfs/dbraw/zinc/12/48/59/358124859.db2.gz VUTZCVAAJYOYQW-UHFFFAOYSA-N 0 3 309.417 2.344 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CCN1CCCCC1 ZINC000593884024 358163865 /nfs/dbraw/zinc/16/38/65/358163865.db2.gz QGGKUCCIMOMHOR-HNNXBMFYSA-N 0 3 315.417 2.270 20 30 DEEDHN N#Cc1cccc(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594209519 358224255 /nfs/dbraw/zinc/22/42/55/358224255.db2.gz QVHXZJZKTRNTFE-IRXDYDNUSA-N 0 3 312.417 2.374 20 30 DEEDHN N#Cc1ccc(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594209558 358224499 /nfs/dbraw/zinc/22/44/99/358224499.db2.gz SICCSYBWHJHPGF-IRXDYDNUSA-N 0 3 312.417 2.374 20 30 DEEDHN CC1(C#N)CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000594283948 358238848 /nfs/dbraw/zinc/23/88/48/358238848.db2.gz OYXXNBPPGFKWAI-CABCVRRESA-N 0 3 304.438 2.339 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000594286384 358238875 /nfs/dbraw/zinc/23/88/75/358238875.db2.gz YDNFTMDIGXZBJI-KBXCAEBGSA-N 0 3 311.429 2.337 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000594442283 358272844 /nfs/dbraw/zinc/27/28/44/358272844.db2.gz CGOXFAVRNDVKDZ-AWEZNQCLSA-N 0 3 315.352 2.361 20 30 DEEDHN Cc1c(Br)cncc1CNC1CCN(CC#N)CC1 ZINC000594927413 358360745 /nfs/dbraw/zinc/36/07/45/358360745.db2.gz VJLZKVYZDNVREY-UHFFFAOYSA-N 0 3 323.238 2.230 20 30 DEEDHN C[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(C)C1CC1 ZINC000618810722 363609299 /nfs/dbraw/zinc/60/92/99/363609299.db2.gz DZMQZRVWUQBLTM-YVEFUNNKSA-N 0 3 312.417 2.327 20 30 DEEDHN CCO[C@H]1C[C@H](O)C12CCN(CCc1ccc(C#N)cc1)CC2 ZINC000595333747 358423382 /nfs/dbraw/zinc/42/33/82/358423382.db2.gz SZUILTWOAIBURJ-ROUUACIJSA-N 0 3 314.429 2.353 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618815439 363611112 /nfs/dbraw/zinc/61/11/12/363611112.db2.gz BCGAPBUUBQHJNX-NVXWUHKLSA-N 0 3 312.417 2.329 20 30 DEEDHN N#Cc1cnnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000596280452 358658305 /nfs/dbraw/zinc/65/83/05/358658305.db2.gz FSJJZGCJJMQTJY-DLBZAZTESA-N 0 3 305.385 2.059 20 30 DEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000596471581 358693743 /nfs/dbraw/zinc/69/37/43/358693743.db2.gz YIZJWGDLPUUJNN-GOSISDBHSA-N 0 3 322.412 2.275 20 30 DEEDHN C=CCCSCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000596715707 358745047 /nfs/dbraw/zinc/74/50/47/358745047.db2.gz LHDAHEJEGQHIMC-AWEZNQCLSA-N 0 3 311.495 2.421 20 30 DEEDHN CCCN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000596670092 358737087 /nfs/dbraw/zinc/73/70/87/358737087.db2.gz WCJCZNXGDKGKJB-KRWDZBQOSA-N 0 3 314.433 2.226 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)NCC3(C#N)CCCCC3)[C@@H]2C1 ZINC000596868337 358778811 /nfs/dbraw/zinc/77/88/11/358778811.db2.gz KFEVJBHFUFQCIC-HUUCEWRRSA-N 0 3 304.438 2.196 20 30 DEEDHN CN1CC=C(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618852624 363617376 /nfs/dbraw/zinc/61/73/76/363617376.db2.gz WHXRVWJRJOKCEI-QGZVFWFLSA-N 0 3 310.401 2.107 20 30 DEEDHN COC(=O)[C@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000597218992 358858001 /nfs/dbraw/zinc/85/80/01/358858001.db2.gz XWYSYQSKILFRDZ-GASCZTMLSA-N 0 3 302.374 2.410 20 30 DEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000597921953 359041759 /nfs/dbraw/zinc/04/17/59/359041759.db2.gz IHJFGNXCQVRKCA-NSHDSACASA-N 0 3 306.797 2.209 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](CO)CC1CC1 ZINC000598293698 359154053 /nfs/dbraw/zinc/15/40/53/359154053.db2.gz SSGWRVDEUJZLKA-SJORKVTESA-N 0 3 300.402 2.284 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000598604362 359258961 /nfs/dbraw/zinc/25/89/61/359258961.db2.gz LTRWEURLBTZTDK-GXTWGEPZSA-N 0 3 322.371 2.312 20 30 DEEDHN CN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000598591047 359253650 /nfs/dbraw/zinc/25/36/50/359253650.db2.gz YNVLPZUKVHLQGT-ZIAGYGMSSA-N 0 3 304.390 2.059 20 30 DEEDHN CCCNC(=O)C1(NC[C@H](O)CC(C)(C)C#N)CCCCC1 ZINC000598599344 359256543 /nfs/dbraw/zinc/25/65/43/359256543.db2.gz ZZOKGLWNAHPFOY-CQSZACIVSA-N 0 3 309.454 2.106 20 30 DEEDHN CSCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000618965909 363649810 /nfs/dbraw/zinc/64/98/10/363649810.db2.gz SFEQDFLFQUDIMU-UHFFFAOYSA-N 0 3 301.419 2.311 20 30 DEEDHN C=C[C@](C)(O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000667598091 540483864 /nfs/dbraw/zinc/48/38/64/540483864.db2.gz JHLLDHQQYDXODF-KRWDZBQOSA-N 0 3 320.458 2.153 20 30 DEEDHN CCC(C#N)(CC)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000599763338 359592852 /nfs/dbraw/zinc/59/28/52/359592852.db2.gz SRYPQASGAJDCKF-KGLIPLIRSA-N 0 3 309.479 2.355 20 30 DEEDHN C=CCOCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000667823726 540534825 /nfs/dbraw/zinc/53/48/25/540534825.db2.gz LLRNZURDCVVDMV-UHFFFAOYSA-N 0 3 317.311 2.488 20 30 DEEDHN Cn1cc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000428541073 237183155 /nfs/dbraw/zinc/18/31/55/237183155.db2.gz OWAPHJZIZYLWKM-MSOLQXFVSA-N 0 3 313.376 2.292 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)c3c[nH]c(C#N)c3)c2)CC1 ZINC000187406504 200108046 /nfs/dbraw/zinc/10/80/46/200108046.db2.gz JEGYVXRBMYEPJA-UHFFFAOYSA-N 0 3 323.400 2.281 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nc(C(F)F)no1 ZINC000601644164 360097120 /nfs/dbraw/zinc/09/71/20/360097120.db2.gz HOKKLODKROMEOG-NSHDSACASA-N 0 3 320.299 2.396 20 30 DEEDHN COc1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1OCCCC#N ZINC000601976916 360218645 /nfs/dbraw/zinc/21/86/45/360218645.db2.gz QCWGXIXAGHLRGJ-IYBDPMFKSA-N 0 3 316.401 2.456 20 30 DEEDHN N#Cc1cccc(CNCCCN(C(=O)C2CCC2)C2CC2)n1 ZINC000602547454 360427131 /nfs/dbraw/zinc/42/71/31/360427131.db2.gz YVYGPPQCLBGMOI-UHFFFAOYSA-N 0 3 312.417 2.224 20 30 DEEDHN CCn1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1=O ZINC000602639926 360472841 /nfs/dbraw/zinc/47/28/41/360472841.db2.gz LJTYFWLHBFNXTL-CQSZACIVSA-N 0 3 303.406 2.057 20 30 DEEDHN N#C[C@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000442797364 238078390 /nfs/dbraw/zinc/07/83/90/238078390.db2.gz WSYPSVPDFACSOQ-DZGCQCFKSA-N 0 3 313.401 2.279 20 30 DEEDHN COC(=O)[C@@]1(C)CN(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000602929266 360630661 /nfs/dbraw/zinc/63/06/61/360630661.db2.gz NJQRYORBSYJOQM-SJCJKPOMSA-N 0 3 302.374 2.198 20 30 DEEDHN CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272028122 209398464 /nfs/dbraw/zinc/39/84/64/209398464.db2.gz TXWAGKYXVPYTRQ-KRWDZBQOSA-N 0 3 308.385 2.233 20 30 DEEDHN C[C@@H](NCCN1CCOCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000271911955 209319742 /nfs/dbraw/zinc/31/97/42/209319742.db2.gz BBKNTTVUICKRPE-CYBMUJFWSA-N 0 3 305.397 2.459 20 30 DEEDHN C=CCOCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000669555361 540862423 /nfs/dbraw/zinc/86/24/23/540862423.db2.gz SRZRVXYNAXAOEI-INIZCTEOSA-N 0 3 305.422 2.312 20 30 DEEDHN N#C[C@]1(NC(=O)c2ccc(CN3CCCC3)cc2)CCSC1 ZINC000609168879 361286841 /nfs/dbraw/zinc/28/68/41/361286841.db2.gz MAIAYEHTULDXIL-QGZVFWFLSA-N 0 3 315.442 2.411 20 30 DEEDHN N#Cc1nnc2ccccc2c1NC1CCN([C@H]2CCOC2)CC1 ZINC000610908562 361491404 /nfs/dbraw/zinc/49/14/04/361491404.db2.gz IZMYYYPFRVCHOF-AWEZNQCLSA-N 0 3 323.400 2.167 20 30 DEEDHN N#Cc1ccc(F)cc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000610728800 361454281 /nfs/dbraw/zinc/45/42/81/361454281.db2.gz LAWZSHHNKOAWBG-GOSISDBHSA-N 0 3 317.408 2.384 20 30 DEEDHN N#Cc1cccc(C2(NC(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)c1 ZINC000610985112 361503718 /nfs/dbraw/zinc/50/37/18/361503718.db2.gz KCHHCKLBGFUCAE-QGZVFWFLSA-N 0 3 324.428 2.331 20 30 DEEDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000611140081 361533828 /nfs/dbraw/zinc/53/38/28/361533828.db2.gz WYXHFAWVMVYJDI-UHFFFAOYSA-N 0 3 324.384 2.422 20 30 DEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000611392227 361589141 /nfs/dbraw/zinc/58/91/41/361589141.db2.gz NOTLFMLXMHXWOM-DOTOQJQBSA-N 0 3 307.401 2.440 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(C)C ZINC001422109597 1172309660 /nfs/dbraw/zinc/30/96/60/1172309660.db2.gz VYQKMHXRVXGLNU-KFWWJZLASA-N 0 3 314.857 2.284 20 30 DEEDHN C[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)N(C)C1CC1 ZINC000619759398 363872395 /nfs/dbraw/zinc/87/23/95/363872395.db2.gz IKZXRVICRGUPOZ-LLVKDONJSA-N 0 3 320.824 2.494 20 30 DEEDHN C=CCc1cc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc(OC)c1O ZINC000628368788 366832186 /nfs/dbraw/zinc/83/21/86/366832186.db2.gz YYFYNRQFXZIYPW-OAHLLOKOSA-N 0 3 318.417 2.182 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000677047691 541537373 /nfs/dbraw/zinc/53/73/73/541537373.db2.gz FYNMEOSUEUZISL-OAHLLOKOSA-N 0 3 314.389 2.248 20 30 DEEDHN C=C(C)CN1CCC(Nc2cc(C)ccc2S(N)(=O)=O)CC1 ZINC000631108313 368021919 /nfs/dbraw/zinc/02/19/19/368021919.db2.gz OBGCUBGTQSBZOP-UHFFFAOYSA-N 0 3 323.462 2.095 20 30 DEEDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000451499270 243033257 /nfs/dbraw/zinc/03/32/57/243033257.db2.gz XDHUJQYWFGFCPU-YOEHRIQHSA-N 0 3 301.390 2.290 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1CCCC[C@H]1C(=O)OCC ZINC000451594026 243174797 /nfs/dbraw/zinc/17/47/97/243174797.db2.gz VAOONUIGLZVZMU-OAGGEKHMSA-N 0 3 322.449 2.287 20 30 DEEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000678744686 541760749 /nfs/dbraw/zinc/76/07/49/541760749.db2.gz MLTVLUYTESTSQR-HOTGVXAUSA-N 0 3 320.433 2.131 20 30 DEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C)[C@H](C(C)C)C1 ZINC000488009869 284294504 /nfs/dbraw/zinc/29/45/04/284294504.db2.gz OKGOSSSAPWWHMU-IRXDYDNUSA-N 0 3 315.417 2.044 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000679480661 541860934 /nfs/dbraw/zinc/86/09/34/541860934.db2.gz VUUWLTMATKVOAO-KRWDZBQOSA-N 0 3 317.433 2.325 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)NC1CCN(C)CC1 ZINC000266156963 205145735 /nfs/dbraw/zinc/14/57/35/205145735.db2.gz YLPAJWJRICZTJB-UHFFFAOYSA-N 0 3 305.353 2.053 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000266232056 205202684 /nfs/dbraw/zinc/20/26/84/205202684.db2.gz CFFFZSOZOWXMOO-QGZVFWFLSA-N 0 3 304.434 2.258 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)C(C)C ZINC000160403482 197407789 /nfs/dbraw/zinc/40/77/89/197407789.db2.gz WZWSIRQTBSVYQV-WMZOPIPTSA-N 0 3 323.481 2.241 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](OC(F)F)C2)CC1 ZINC000679693449 541900541 /nfs/dbraw/zinc/90/05/41/541900541.db2.gz AXWNFAOVFOKSTI-CYBMUJFWSA-N 0 3 317.380 2.050 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C3CC3)n(CC)n2)CC1 ZINC000267431985 206062503 /nfs/dbraw/zinc/06/25/03/206062503.db2.gz VJIMULAHDISHSK-UHFFFAOYSA-N 0 3 300.406 2.064 20 30 DEEDHN C=CCOCCN[C@@H](CN1CCOCC1)c1ccccc1C ZINC000680348777 541990545 /nfs/dbraw/zinc/99/05/45/541990545.db2.gz DHLOODKZWNCVGV-SFHVURJKSA-N 0 3 304.434 2.161 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458265765 248241201 /nfs/dbraw/zinc/24/12/01/248241201.db2.gz BJBSEGKTOJHJNE-MEDUHNTESA-N 0 3 305.353 2.254 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000458328139 248262179 /nfs/dbraw/zinc/26/21/79/248262179.db2.gz XMMNJQKJAYSEBK-HOTGVXAUSA-N 0 3 321.465 2.284 20 30 DEEDHN C[C@@H](CCCc1cccnc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000459634101 248655928 /nfs/dbraw/zinc/65/59/28/248655928.db2.gz HRRHMAFWJWHUII-KBXCAEBGSA-N 0 3 322.412 2.481 20 30 DEEDHN N#CCC[C@H](C#N)CNCCCNC(=O)/C=C/c1ccccc1 ZINC000492811209 249145642 /nfs/dbraw/zinc/14/56/42/249145642.db2.gz SUKPKPDUMOIOAX-OAGJVSPASA-N 0 3 310.401 2.239 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000042237857 183245771 /nfs/dbraw/zinc/24/57/71/183245771.db2.gz QDQQSFNJDQARDB-QWRGUYRKSA-N 0 3 309.207 2.238 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C\COCC(F)(F)F)CC1 ZINC000493729064 249376507 /nfs/dbraw/zinc/37/65/07/249376507.db2.gz SXMGAROZFBAXAR-ARJAWSKDSA-N 0 3 320.355 2.278 20 30 DEEDHN CC#CCCN1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000274080799 211335514 /nfs/dbraw/zinc/33/55/14/211335514.db2.gz NBOSPPGOCPBUCS-UHFFFAOYSA-N 0 3 315.461 2.162 20 30 DEEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000284658788 218120389 /nfs/dbraw/zinc/12/03/89/218120389.db2.gz GVMDPVWQRHRTFO-RDJZCZTQSA-N 0 3 313.405 2.294 20 30 DEEDHN N#Cc1cccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000270022807 208076719 /nfs/dbraw/zinc/07/67/19/208076719.db2.gz DYUAYVCEOKYPJV-WMZOPIPTSA-N 0 3 322.412 2.248 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H](CO)C2CCCCC2)c(C#N)c1C ZINC000541055293 285153378 /nfs/dbraw/zinc/15/33/78/285153378.db2.gz SRGPWQQTGOBRCZ-HNNXBMFYSA-N 0 3 319.405 2.237 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000337746843 533118320 /nfs/dbraw/zinc/11/83/20/533118320.db2.gz XCZADLUJAFKTPC-QUBYGPBYSA-N 0 3 313.126 2.298 20 30 DEEDHN COCCO[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000337185365 533183931 /nfs/dbraw/zinc/18/39/31/533183931.db2.gz OXOQKGAFIDZZBQ-INIZCTEOSA-N 0 3 310.438 2.214 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCSC1 ZINC000542721712 285245601 /nfs/dbraw/zinc/24/56/01/285245601.db2.gz DGMPPHJKYXZWSE-OAHLLOKOSA-N 0 3 323.849 2.379 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)s1 ZINC000294808778 224235224 /nfs/dbraw/zinc/23/52/24/224235224.db2.gz NOMAVIBCLZIDDH-QWHCGFSZSA-N 0 3 311.410 2.401 20 30 DEEDHN OC[C@]1([C@H](NCC#Cc2ccc(F)cc2)C2CC2)CCCO1 ZINC000339759674 285297886 /nfs/dbraw/zinc/29/78/86/285297886.db2.gz SPQQEDRXRIGPRX-MSOLQXFVSA-N 0 3 303.377 2.087 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1N(C)C ZINC000289886076 221292873 /nfs/dbraw/zinc/29/28/73/221292873.db2.gz SGOFOCXPMNRILR-KGLIPLIRSA-N 0 3 322.409 2.207 20 30 DEEDHN CS(=O)(=O)c1ccc(OCCN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000447529803 533451404 /nfs/dbraw/zinc/45/14/04/533451404.db2.gz MRVUKNLAGUGCON-ZIAGYGMSSA-N 0 3 322.430 2.141 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000545999402 285471659 /nfs/dbraw/zinc/47/16/59/285471659.db2.gz PLOVSYGZNPYPKY-CQSZACIVSA-N 0 3 312.373 2.045 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000353774309 133000570 /nfs/dbraw/zinc/00/05/70/133000570.db2.gz HEDNBVXHDSNUSC-WBMJQRKESA-N 0 3 303.381 2.085 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000355572126 133034879 /nfs/dbraw/zinc/03/48/79/133034879.db2.gz SVDZOLSWGKHJJO-UHFFFAOYSA-N 0 3 317.408 2.478 20 30 DEEDHN Cn1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1C#N ZINC000359732456 133141930 /nfs/dbraw/zinc/14/19/30/133141930.db2.gz QOLNTKSSYQJRSF-JKSUJKDBSA-N 0 3 319.355 2.224 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCS(=O)(=O)C1 ZINC000360658652 133193349 /nfs/dbraw/zinc/19/33/49/133193349.db2.gz UMXDQTOAZBAIKW-WMLDXEAASA-N 0 3 318.442 2.350 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000373532165 133394300 /nfs/dbraw/zinc/39/43/00/133394300.db2.gz WPJRKCBOMNATSD-ROUUACIJSA-N 0 3 300.402 2.483 20 30 DEEDHN C[C@](CO)(NCc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000563154280 292034959 /nfs/dbraw/zinc/03/49/59/292034959.db2.gz JVBNPTWJJCZVJP-QGZVFWFLSA-N 0 3 313.405 2.022 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)N1CCCC1 ZINC000563925910 292080016 /nfs/dbraw/zinc/08/00/16/292080016.db2.gz YQQOUUYMDVVJNK-ZDUSSCGKSA-N 0 3 324.384 2.427 20 30 DEEDHN N#Cc1nccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000564226176 292089431 /nfs/dbraw/zinc/08/94/31/292089431.db2.gz PMXDLAFGUARXMU-JKSUJKDBSA-N 0 3 305.385 2.059 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CO)C1)C(C)C ZINC000297160053 404477933 /nfs/dbraw/zinc/47/79/33/404477933.db2.gz SIIGQTWQXVGECK-IXDOHACOSA-N 0 3 323.481 2.145 20 30 DEEDHN C[C@]12CN(Cc3cnc4c(C#N)cnn4c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000564986639 292124981 /nfs/dbraw/zinc/12/49/81/292124981.db2.gz UGKKKFUYNCZVQT-NOVWEMISSA-N 0 3 307.401 2.469 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346176826 146031943 /nfs/dbraw/zinc/03/19/43/146031943.db2.gz ZYAWACYZNOQHBN-HWWQOWPSSA-N 0 3 301.390 2.262 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000348522820 146281384 /nfs/dbraw/zinc/28/13/84/146281384.db2.gz ZVRUNIFIWGAMQE-STQMWFEESA-N 0 3 309.316 2.247 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@H]1CCC[C@@H]1OC(F)F ZINC000348521134 146281400 /nfs/dbraw/zinc/28/14/00/146281400.db2.gz NLJWFWNMSMNCFN-UWVGGRQHSA-N 0 3 315.345 2.308 20 30 DEEDHN N#Cc1cnc(C(=O)NC[C@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000565650985 292175067 /nfs/dbraw/zinc/17/50/67/292175067.db2.gz XKASICNXPDIYQG-CYBMUJFWSA-N 0 3 318.808 2.353 20 30 DEEDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(C#N)cc2)cn1 ZINC000371334256 148090151 /nfs/dbraw/zinc/09/01/51/148090151.db2.gz DSBGDIMOWBEXCW-ROUUACIJSA-N 0 3 310.401 2.380 20 30 DEEDHN CN(CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000372421156 148206258 /nfs/dbraw/zinc/20/62/58/148206258.db2.gz SEUSOXVGCIQDGS-UHFFFAOYSA-N 0 3 324.428 2.451 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCCC23CCOCC3)cc1 ZINC000374300455 148227927 /nfs/dbraw/zinc/22/79/27/148227927.db2.gz DDVNKSIKABZUHP-MRXNPFEDSA-N 0 3 313.401 2.436 20 30 DEEDHN C[C@@H](CO[C@@H]1CCOC1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127610486 401742378 /nfs/dbraw/zinc/74/23/78/401742378.db2.gz RQHWLWPDSFYBLZ-FQXVJMBOSA-N 0 3 300.402 2.394 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)CC)C2)cc1 ZINC000126472259 401695493 /nfs/dbraw/zinc/69/54/93/401695493.db2.gz XVNUZIDDVIRZED-ZBFHGGJFSA-N 0 3 300.402 2.360 20 30 DEEDHN CO/N=C/c1ccc(C(=O)NC[C@H](CC(C)C)N(C)C)cc1 ZINC000114377243 401797483 /nfs/dbraw/zinc/79/74/83/401797483.db2.gz VOBHWJIMIKAKIH-ZVCOJXFSSA-N 0 3 305.422 2.373 20 30 DEEDHN COCc1ccc([C@H]2CCCN2CCC(=O)N(C)CCC#N)o1 ZINC000131474622 401851062 /nfs/dbraw/zinc/85/10/62/401851062.db2.gz SEMYGAGCZBUUMF-OAHLLOKOSA-N 0 3 319.405 2.325 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](CN(C)C)c2ccccc2)ccc1C#N ZINC000028881546 401853463 /nfs/dbraw/zinc/85/34/63/401853463.db2.gz YVRYXIDWPWUWHS-KRWDZBQOSA-N 0 3 308.385 2.294 20 30 DEEDHN C#CCNC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000029325123 401855669 /nfs/dbraw/zinc/85/56/69/401855669.db2.gz SIAQQJRNPSLVED-MRXNPFEDSA-N 0 3 303.406 2.011 20 30 DEEDHN C=CC[C@H](C)NC(=O)NCc1ccccc1OCCN(C)C ZINC000116951512 401865239 /nfs/dbraw/zinc/86/52/39/401865239.db2.gz BUBYASPZGJTAQX-AWEZNQCLSA-N 0 3 305.422 2.391 20 30 DEEDHN CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCCN(C)C1 ZINC000079530190 401875123 /nfs/dbraw/zinc/87/51/23/401875123.db2.gz WGQBXHQFUKSHCN-AWEZNQCLSA-N 0 3 303.431 2.468 20 30 DEEDHN C=CCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133459091 401887240 /nfs/dbraw/zinc/88/72/40/401887240.db2.gz IKMGYIVONIDENA-KRWDZBQOSA-N 0 3 300.450 2.102 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CC[C@H](N3CCCC3)C2)s1 ZINC000136251635 401964107 /nfs/dbraw/zinc/96/41/07/401964107.db2.gz QWTDVVKRFWQEEN-LBPRGKRZSA-N 0 3 306.435 2.051 20 30 DEEDHN C[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 ZINC000046953814 401976555 /nfs/dbraw/zinc/97/65/55/401976555.db2.gz BVIQSJSXHMWDCX-CABCVRRESA-N 0 3 315.417 2.174 20 30 DEEDHN COc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1C#N ZINC000120595304 401995291 /nfs/dbraw/zinc/99/52/91/401995291.db2.gz UNCXVAOHXZGMGG-MRXNPFEDSA-N 0 3 308.385 2.330 20 30 DEEDHN C=CCN(C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000121241185 402023206 /nfs/dbraw/zinc/02/32/06/402023206.db2.gz APHSYDSTRWEOGQ-UHFFFAOYSA-N 0 3 308.378 2.159 20 30 DEEDHN C=CCN(C)CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000121434577 402035581 /nfs/dbraw/zinc/03/55/81/402035581.db2.gz UOYALRWKIQVPRE-UHFFFAOYSA-N 0 3 315.461 2.193 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000123512352 402131499 /nfs/dbraw/zinc/13/14/99/402131499.db2.gz GAOGSCBIGQYZEY-UHFFFAOYSA-N 0 3 310.357 2.020 20 30 DEEDHN C#CCN1CCC(C(=O)NCCOc2cc(C)cc(C)c2)CC1 ZINC000066922207 402146541 /nfs/dbraw/zinc/14/65/41/402146541.db2.gz NLXQAIGWXOEEDY-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cccc(N3CC=CC3)c2)CC1 ZINC000153942294 402182597 /nfs/dbraw/zinc/18/25/97/402182597.db2.gz CJZAJKZANNOWDB-UHFFFAOYSA-N 0 3 323.440 2.024 20 30 DEEDHN Cn1nnc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)ccc21 ZINC000103796235 402194541 /nfs/dbraw/zinc/19/45/41/402194541.db2.gz YXBFLJMINSDOAP-LLVKDONJSA-N 0 3 316.324 2.335 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(OC)cc2F)CC1 ZINC000124745279 402195034 /nfs/dbraw/zinc/19/50/34/402195034.db2.gz IWHFAPPOAJWPBO-UHFFFAOYSA-N 0 3 308.328 2.257 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000154671188 402225184 /nfs/dbraw/zinc/22/51/84/402225184.db2.gz LPQMQDXGBCGPBQ-UHFFFAOYSA-N 0 3 303.406 2.111 20 30 DEEDHN C#CCOc1cccc(NC(=O)NC2CCN(CC)CC2)c1 ZINC000108518751 402255945 /nfs/dbraw/zinc/25/59/45/402255945.db2.gz LZMAISDDQAQKDA-UHFFFAOYSA-N 0 3 301.390 2.304 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104705634 402204810 /nfs/dbraw/zinc/20/48/10/402204810.db2.gz JZXXECMWBJQWOX-MRXNPFEDSA-N 0 3 319.380 2.268 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 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313.195 2.002 20 30 DEEDHN CC[C@H]1Oc2cc([C@H](C)NCCOCCC#N)ccc2NC1=O ZINC000294753137 403727709 /nfs/dbraw/zinc/72/77/09/403727709.db2.gz XUMQZAVHIRBTQM-SWLSCSKDSA-N 0 3 317.389 2.377 20 30 DEEDHN CN(C)C(=O)Nc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354468637 403818778 /nfs/dbraw/zinc/81/87/78/403818778.db2.gz PBDSFMJAGUHMQC-ZDUSSCGKSA-N 0 3 309.329 2.060 20 30 DEEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000361777944 403858996 /nfs/dbraw/zinc/85/89/96/403858996.db2.gz ZQOBCNUUZRJFKK-KRWDZBQOSA-N 0 3 309.413 2.285 20 30 DEEDHN N#CC(C(=O)c1cc(F)ccc1-n1cccn1)c1ccncn1 ZINC000361792026 403868781 /nfs/dbraw/zinc/86/87/81/403868781.db2.gz ILZXUBDOSRBIEC-CYBMUJFWSA-N 0 3 307.288 2.291 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCOCC2(CCC2)C1 ZINC000368841104 403875715 /nfs/dbraw/zinc/87/57/15/403875715.db2.gz HQTKPABJLGBPOO-UHFFFAOYSA-N 0 3 319.430 2.451 20 30 DEEDHN C#CCCOc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000368966272 403918922 /nfs/dbraw/zinc/91/89/22/403918922.db2.gz 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/nfs/dbraw/zinc/14/29/45/404142945.db2.gz IMUCTOVTRGDJHP-UHFFFAOYSA-N 0 3 307.394 2.358 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328718409 404136078 /nfs/dbraw/zinc/13/60/78/404136078.db2.gz UYVFGSKUQRFMAN-ARFHVFGLSA-N 0 3 324.465 2.385 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)CN1C1CC1 ZINC000328778788 404150253 /nfs/dbraw/zinc/15/02/53/404150253.db2.gz LYQMKKQQYVOQNE-SFYZADRCSA-N 0 3 302.300 2.358 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)n[n-]2)C[N@@H+]1C1CC1 ZINC000328778788 404150261 /nfs/dbraw/zinc/15/02/61/404150261.db2.gz LYQMKKQQYVOQNE-SFYZADRCSA-N 0 3 302.300 2.358 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)n[n-]2)C[N@H+]1C1CC1 ZINC000328778788 404150267 /nfs/dbraw/zinc/15/02/67/404150267.db2.gz LYQMKKQQYVOQNE-SFYZADRCSA-N 0 3 302.300 2.358 20 30 DEEDHN CCN1CCC(NC(=O)N2CCC[C@@H](c3cc(C)n[nH]3)C2)CC1 ZINC000328762370 404146595 /nfs/dbraw/zinc/14/65/95/404146595.db2.gz YRKGPDUIQGHJKC-CQSZACIVSA-N 0 3 319.453 2.296 20 30 DEEDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cnn1C1CCOCC1 ZINC000329042943 404212306 /nfs/dbraw/zinc/21/23/06/404212306.db2.gz OVMBBWVIJUKVLI-GXTWGEPZSA-N 0 3 320.437 2.330 20 30 DEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000329056564 404214921 /nfs/dbraw/zinc/21/49/21/404214921.db2.gz IIWQTZBWDNKEME-CQSZACIVSA-N 0 3 317.437 2.261 20 30 DEEDHN CSC1(CN2CCN(c3cc(C#N)ccn3)CC2)CCC1 ZINC000290555927 404219339 /nfs/dbraw/zinc/21/93/39/404219339.db2.gz XEJLEIVSWORSPQ-UHFFFAOYSA-N 0 3 302.447 2.361 20 30 DEEDHN CC(=O)N1CCC(NC(=O)CN2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000328859601 404163449 /nfs/dbraw/zinc/16/34/49/404163449.db2.gz LEWUZEMKAGDTDO-HZPDHXFCSA-N 0 3 321.465 2.464 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCCc2ncccc2C)CC1 ZINC000296286367 404178899 /nfs/dbraw/zinc/17/88/99/404178899.db2.gz DWYJBDIIADKGMG-UHFFFAOYSA-N 0 3 316.449 2.272 20 30 DEEDHN CN1CCC2(CCN(Cc3ccc(C#N)cc3F)CC2)C1=O ZINC000369651849 404179624 /nfs/dbraw/zinc/17/96/24/404179624.db2.gz AOUAGRAQIZPBAW-UHFFFAOYSA-N 0 3 301.365 2.142 20 30 DEEDHN C[C@@H](NC(=O)[C@@H]1CCCCO1)C(=O)NCCN1CCCCC1 ZINC000328978604 404187470 /nfs/dbraw/zinc/18/74/70/404187470.db2.gz CLVFITLIVVHADG-KGLIPLIRSA-N 0 3 311.426 2.343 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000328988292 404191954 /nfs/dbraw/zinc/19/19/54/404191954.db2.gz CIQJLOODJKNUJM-KBUPBQIOSA-N 0 3 320.437 2.420 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(F)c(Cl)c1 ZINC000296350480 404207522 /nfs/dbraw/zinc/20/75/22/404207522.db2.gz NBMNFDBVTHMPLJ-UHFFFAOYSA-N 0 3 311.788 2.233 20 30 DEEDHN CC[C@H](C)[C@](C)(O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350003113 404291194 /nfs/dbraw/zinc/29/11/94/404291194.db2.gz LSDQCYXBVZBCFU-FDQGKXFDSA-N 0 3 313.401 2.154 20 30 DEEDHN CNC(=O)c1cccc(CCNCc2ccc(C#N)cc2F)c1 ZINC000344576847 404235800 /nfs/dbraw/zinc/23/58/00/404235800.db2.gz CUUOVFVUJJAJQB-UHFFFAOYSA-N 0 3 311.360 2.389 20 30 DEEDHN Cc1c(NC(=O)N2CCN3CCC[C@H]3C2)cnn1CC(C)C ZINC000329142536 404243191 /nfs/dbraw/zinc/24/31/91/404243191.db2.gz 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CCCN1CCC[C@@H]1C(=O)NC1CCN(c2cccnn2)CC1 ZINC000329946791 404504230 /nfs/dbraw/zinc/50/42/30/404504230.db2.gz JUEMCHVPXUWMQQ-OAHLLOKOSA-N 0 3 317.437 2.276 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)[C@@H]1CCC[C@@H]1O ZINC000352665884 404528286 /nfs/dbraw/zinc/52/82/86/404528286.db2.gz GFQXNHJTOYUXOW-SYGRHNPNSA-N 0 3 321.465 2.151 20 30 DEEDHN Cc1c(C(=O)NCC2(N(C)C)CCC2)cnn1C1CCOCC1 ZINC000329986365 404516325 /nfs/dbraw/zinc/51/63/25/404516325.db2.gz FFEUQLQKZWJCEH-UHFFFAOYSA-N 0 3 320.437 2.332 20 30 DEEDHN Cc1nc(N2CCOC[C@@H]2[C@@H]2CCCO2)c(Cl)cc1C#N ZINC000329749000 404439191 /nfs/dbraw/zinc/43/91/91/404439191.db2.gz TZKMMLBDEUCCTI-KGLIPLIRSA-N 0 3 307.781 2.299 20 30 DEEDHN Cc1nnc([C@H]2CCCN(C(=O)Nc3cccc(C)n3)C2)[nH]1 ZINC000329749076 404439306 /nfs/dbraw/zinc/43/93/06/404439306.db2.gz UAOBITVKERILBJ-LBPRGKRZSA-N 0 3 300.366 2.242 20 30 DEEDHN C[C@@H](C(=O)NCc1nnc(C2CC2)n1C)N1[C@H](C)CC[C@@H]1C ZINC000329782839 404450495 /nfs/dbraw/zinc/45/04/95/404450495.db2.gz OBRPBCCUHVQXEK-TUAOUCFPSA-N 0 3 305.426 2.410 20 30 DEEDHN CC(C)[C@@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)N(C)C ZINC000342462318 404591596 /nfs/dbraw/zinc/59/15/96/404591596.db2.gz NKFMYFNJXKNXEI-SJORKVTESA-N 0 3 315.417 2.044 20 30 DEEDHN CC(C(=O)NCC1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330054623 404539627 /nfs/dbraw/zinc/53/96/27/404539627.db2.gz SGYFSDKZJJJKBH-LLVKDONJSA-N 0 3 303.424 2.115 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330060836 404541437 /nfs/dbraw/zinc/54/14/37/404541437.db2.gz NIMSOGOXWMRAKQ-CABCVRRESA-N 0 3 309.454 2.466 20 30 DEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000356477836 404547167 /nfs/dbraw/zinc/54/71/67/404547167.db2.gz LCOOERJHQCPDQZ-INIZCTEOSA-N 0 3 300.406 2.194 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)CCN1C ZINC000330228156 404594115 /nfs/dbraw/zinc/59/41/15/404594115.db2.gz VFMWYJVKDPXEJL-RBSFLKMASA-N 0 3 309.454 2.465 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(CC)C[C@H]1C ZINC000352699363 404556791 /nfs/dbraw/zinc/55/67/91/404556791.db2.gz QKGGRYHQEFKHGQ-AEFFLSMTSA-N 0 3 318.461 2.181 20 30 DEEDHN CC(C(=O)NC[C@@H]1CC=CCC1)S(=O)(=O)C1CCOCC1 ZINC000330164041 404571173 /nfs/dbraw/zinc/57/11/73/404571173.db2.gz SWWDGOVBYRTVFZ-CHWSQXEVSA-N 0 3 315.435 2.282 20 30 DEEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352850989 404663132 /nfs/dbraw/zinc/66/31/32/404663132.db2.gz YTMQNQXHOKSRRS-NEPJUHHUSA-N 0 3 306.435 2.188 20 30 DEEDHN CN(C)Cc1cnc(CNCCOc2ccc(C#N)cc2)s1 ZINC000352781943 404616270 /nfs/dbraw/zinc/61/62/70/404616270.db2.gz ATZKBJILEIEOAJ-UHFFFAOYSA-N 0 3 316.430 2.245 20 30 DEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352850992 404663306 /nfs/dbraw/zinc/66/33/06/404663306.db2.gz YTMQNQXHOKSRRS-VXGBXAGGSA-N 0 3 306.435 2.188 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000330336177 404630017 /nfs/dbraw/zinc/63/00/17/404630017.db2.gz SFOFBGLVDUFFMU-HLPPOEQASA-N 0 3 320.437 2.470 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330351318 404633274 /nfs/dbraw/zinc/63/32/74/404633274.db2.gz MCGOXVUKAQOFAY-PMPSAXMXSA-N 0 3 323.481 2.400 20 30 DEEDHN CC1CCN(CCNC(=O)N2CC[C@@H](O)C23CCCC3)CC1 ZINC000330351418 404633964 /nfs/dbraw/zinc/63/39/64/404633964.db2.gz MFCWGFZIPKUAAP-OAHLLOKOSA-N 0 3 309.454 2.012 20 30 DEEDHN N#Cc1cccc(CN2CCC(CN3CCOCC3)CC2)c1F ZINC000352890748 404683428 /nfs/dbraw/zinc/68/34/28/404683428.db2.gz AERQKOSYCPZNGP-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000357822787 404745287 /nfs/dbraw/zinc/74/52/87/404745287.db2.gz ISSWCIVLHDEBBZ-NSHDSACASA-N 0 3 309.772 2.283 20 30 DEEDHN C=C(C)COCCN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000358290410 404759090 /nfs/dbraw/zinc/75/90/90/404759090.db2.gz RFUROLPQYCVBCX-ZDUSSCGKSA-N 0 3 312.435 2.301 20 30 DEEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000375887128 404766029 /nfs/dbraw/zinc/76/60/29/404766029.db2.gz BEAOANKGWHWUJB-ZWKOTPCHSA-N 0 3 305.381 2.386 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(F)cn2)CC1 ZINC000359030352 404781808 /nfs/dbraw/zinc/78/18/08/404781808.db2.gz PLVLZOZKPGHLKQ-UHFFFAOYSA-N 0 3 306.385 2.060 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@]12CCOC2)C(C)C ZINC000359272206 404788699 /nfs/dbraw/zinc/78/86/99/404788699.db2.gz MMXGJSJYQCOBBU-LZLYRXPVSA-N 0 3 306.450 2.228 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(OCC(N)=O)c1)CC2 ZINC000353277723 404789419 /nfs/dbraw/zinc/78/94/19/404789419.db2.gz VOHHJIORCZKRHN-GOSISDBHSA-N 0 3 321.380 2.199 20 30 DEEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000359942122 404809902 /nfs/dbraw/zinc/80/99/02/404809902.db2.gz VBISUTOJEMQKFV-LBPRGKRZSA-N 0 3 300.249 2.375 20 30 DEEDHN C=CCN(CCC(C)(C)O)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000360470344 404828852 /nfs/dbraw/zinc/82/88/52/404828852.db2.gz SRTWYXSNDSCWOQ-CQSZACIVSA-N 0 3 315.421 2.372 20 30 DEEDHN COC1CCC(C)(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360601011 404832334 /nfs/dbraw/zinc/83/23/34/404832334.db2.gz WNYXQHBJKUROKU-UPTPFMHGSA-N 0 3 315.417 2.270 20 30 DEEDHN CS(=O)(=O)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353599293 404877930 /nfs/dbraw/zinc/87/79/30/404877930.db2.gz WTTVKDOSZRQQBD-MRXNPFEDSA-N 0 3 318.442 2.493 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C3CCOCC3)C2)CC1 ZINC000366793815 404848187 /nfs/dbraw/zinc/84/81/87/404848187.db2.gz HAZYVNZFCXEQEN-INIZCTEOSA-N 0 3 321.465 2.095 20 30 DEEDHN CC#CCCNCc1ccccc1OCC(=O)N1CCCC1 ZINC000360967994 404865063 /nfs/dbraw/zinc/86/50/63/404865063.db2.gz GEVCDYKOAQYGAN-UHFFFAOYSA-N 0 3 300.402 2.191 20 30 DEEDHN CCO[C@H]1C[C@@](CO)(NCC#Cc2ccc(F)cc2)C1(C)C ZINC000190001334 286500915 /nfs/dbraw/zinc/50/09/15/286500915.db2.gz ZWEGIQVACOFSST-WMZOPIPTSA-N 0 3 305.393 2.333 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000367198837 404961695 /nfs/dbraw/zinc/96/16/95/404961695.db2.gz GNPJROZETQRINF-KRWDZBQOSA-N 0 3 322.474 2.394 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435252402 404967328 /nfs/dbraw/zinc/96/73/28/404967328.db2.gz RPGGNZPFPILBNM-RHSMWYFYSA-N 0 3 311.429 2.435 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1F ZINC000367217443 404970817 /nfs/dbraw/zinc/97/08/17/404970817.db2.gz NENMDGCQXKKRNP-OAHLLOKOSA-N 0 3 301.365 2.398 20 30 DEEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000361133538 404936788 /nfs/dbraw/zinc/93/67/88/404936788.db2.gz XSJPHFJKEMCGDW-BLLLJJGKSA-N 0 3 315.348 2.183 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000415809696 404948831 /nfs/dbraw/zinc/94/88/31/404948831.db2.gz UTDUDDJYTBKIFA-SMDDNHRTSA-N 0 3 302.378 2.101 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000424094543 405002469 /nfs/dbraw/zinc/00/24/69/405002469.db2.gz UTFRLXMTJHCUNL-CQSZACIVSA-N 0 3 314.414 2.447 20 30 DEEDHN CC(C)COc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424092112 405003124 /nfs/dbraw/zinc/00/31/24/405003124.db2.gz OFHVEVRSBXIEIS-OAHLLOKOSA-N 0 3 303.406 2.359 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000424098882 405004144 /nfs/dbraw/zinc/00/41/44/405004144.db2.gz HWFBZBPGJNIJKD-IKGGRYGDSA-N 0 3 315.417 2.292 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1OC(F)F ZINC000424104327 405007746 /nfs/dbraw/zinc/00/77/46/405007746.db2.gz UIUPXQRVKKARFF-ZYHUDNBSSA-N 0 3 311.332 2.486 20 30 DEEDHN CC(C)COc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424106966 405008407 /nfs/dbraw/zinc/00/84/07/405008407.db2.gz SYDHNVBVCWUCRD-INIZCTEOSA-N 0 3 303.406 2.359 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000424106490 405008897 /nfs/dbraw/zinc/00/88/97/405008897.db2.gz XPSAUVCSTQIFRZ-STQMWFEESA-N 0 3 307.781 2.301 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000424113046 405010041 /nfs/dbraw/zinc/01/00/41/405010041.db2.gz LTMPSFDLPPRBEI-OAHLLOKOSA-N 0 3 303.381 2.385 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000424113901 405011206 /nfs/dbraw/zinc/01/12/06/405011206.db2.gz OXIIBJHQXKGIAL-CQSZACIVSA-N 0 3 324.388 2.309 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000424133731 405016918 /nfs/dbraw/zinc/01/69/18/405016918.db2.gz ZVZSMTJWYBLWAS-IRXDYDNUSA-N 0 3 315.417 2.073 20 30 DEEDHN C=CCOc1ccc(CN2CCC(OCCO)CC2)cc1OC ZINC000354044145 405017254 /nfs/dbraw/zinc/01/72/54/405017254.db2.gz GCNQEPFEZNSMEJ-UHFFFAOYSA-N 0 3 321.417 2.233 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(-n2ccnc2)c1 ZINC000424141596 405020090 /nfs/dbraw/zinc/02/00/90/405020090.db2.gz GQDSEYKPRSQIGL-XJKSGUPXSA-N 0 3 311.389 2.071 20 30 DEEDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1[N+](=O)[O-] ZINC000424149396 405023076 /nfs/dbraw/zinc/02/30/76/405023076.db2.gz HCWWGRRDIPYCTA-WCQYABFASA-N 0 3 304.350 2.102 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000424163087 405027039 /nfs/dbraw/zinc/02/70/39/405027039.db2.gz XIOZQRVNTUMKED-SJORKVTESA-N 0 3 308.385 2.308 20 30 DEEDHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H](N)CCCC#N ZINC000424170321 405028105 /nfs/dbraw/zinc/02/81/05/405028105.db2.gz KXFPMRPEVOSJLJ-RHSMWYFYSA-N 0 3 315.417 2.252 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000367239386 404977388 /nfs/dbraw/zinc/97/73/88/404977388.db2.gz CSRILRZZIJQYDF-IAGOWNOFSA-N 0 3 302.418 2.183 20 30 DEEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000451412017 404985503 /nfs/dbraw/zinc/98/55/03/404985503.db2.gz WCSZNHXPIXKVIS-NEPJUHHUSA-N 0 3 305.344 2.411 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCSCc1ccccc1F ZINC000424062598 404989983 /nfs/dbraw/zinc/98/99/83/404989983.db2.gz HCAWPVUSUCNNEV-AWEZNQCLSA-N 0 3 309.410 2.196 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000424061765 404990396 /nfs/dbraw/zinc/99/03/96/404990396.db2.gz JSZAGOTUHUUDNV-KRWDZBQOSA-N 0 3 315.417 2.215 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCCCOc1ccc(F)cc1 ZINC000424064086 404991150 /nfs/dbraw/zinc/99/11/50/404991150.db2.gz NYIDRVKNFBJIGJ-HNNXBMFYSA-N 0 3 307.369 2.122 20 30 DEEDHN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424065458 404991948 /nfs/dbraw/zinc/99/19/48/404991948.db2.gz LSYKVDBSDVHLKD-HOTGVXAUSA-N 0 3 301.390 2.380 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000424067074 404992929 /nfs/dbraw/zinc/99/29/29/404992929.db2.gz VGFXNKXODFOVAU-CHWSQXEVSA-N 0 3 307.394 2.500 20 30 DEEDHN CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424069763 404993655 /nfs/dbraw/zinc/99/36/55/404993655.db2.gz QPRWJDSKWMOKBO-CQSZACIVSA-N 0 3 316.405 2.175 20 30 DEEDHN C=CCn1cc(CN[C@@H](C)CCc2ccc3c(c2)OCO3)nn1 ZINC000424297078 405060722 /nfs/dbraw/zinc/06/07/22/405060722.db2.gz PUXYEPWTOKIDIX-ZDUSSCGKSA-N 0 3 314.389 2.304 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000424296861 405061767 /nfs/dbraw/zinc/06/17/67/405061767.db2.gz PMSDQIQTFXUMHO-QGZVFWFLSA-N 0 3 311.433 2.218 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367511235 405070915 /nfs/dbraw/zinc/07/09/15/405070915.db2.gz XYTFVXPYVGVYED-UHFFFAOYSA-N 0 3 322.412 2.410 20 30 DEEDHN Cc1cc(S(=O)(=O)NCCN2CCCC2(C)C)ccc1C#N ZINC000452092022 405161478 /nfs/dbraw/zinc/16/14/78/405161478.db2.gz UFEXEZJVNXCNPV-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000437473519 405201220 /nfs/dbraw/zinc/20/12/20/405201220.db2.gz MMEOSOJHASDFPE-OIISXLGYSA-N 0 3 306.450 2.491 20 30 DEEDHN CCN(Cc1ccccc1NC(=O)[C@@H](C)C#N)C(=O)C(C)C#N ZINC000424892721 405207615 /nfs/dbraw/zinc/20/76/15/405207615.db2.gz NTZYCXWNBBANBX-STQMWFEESA-N 0 3 312.373 2.293 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000424777173 405175435 /nfs/dbraw/zinc/17/54/35/405175435.db2.gz KCKYRONWIJLVBX-UHFFFAOYSA-N 0 3 321.509 2.465 20 30 DEEDHN C=CC[C@H]1N(C(=O)C(=O)N[C@@H](CN)CC(C)C)CCCC1(C)C ZINC000419974603 405276686 /nfs/dbraw/zinc/27/66/86/405276686.db2.gz IPBAHZVAMFADEO-HUUCEWRRSA-N 0 3 323.481 2.069 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425402949 405285985 /nfs/dbraw/zinc/28/59/85/405285985.db2.gz SHHAMRVNCOAHII-JKSUJKDBSA-N 0 3 300.406 2.240 20 30 DEEDHN C[C@@H](CNC(=O)NCC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000419466423 405251482 /nfs/dbraw/zinc/25/14/82/405251482.db2.gz VWZYUDSDFVSJPS-HNNXBMFYSA-N 0 3 314.433 2.500 20 30 DEEDHN C=CCN1CC[C@@H](N2CCNC[C@H]2c2cccc(Cl)c2)C1=O ZINC000420317801 405317281 /nfs/dbraw/zinc/31/72/81/405317281.db2.gz OUEZQJIADCVVDY-CVEARBPZSA-N 0 3 319.836 2.073 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OCC)[C@H](C)C2)CC1 ZINC000454454176 405347598 /nfs/dbraw/zinc/34/75/98/405347598.db2.gz AJNMTJPKWMQDNM-WBVHZDCISA-N 0 3 323.481 2.483 20 30 DEEDHN CN(C)Cc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000446654072 405387677 /nfs/dbraw/zinc/38/76/77/405387677.db2.gz SGKPGNKVDWJWTA-UHFFFAOYSA-N 0 3 322.368 2.197 20 30 DEEDHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(C#N)s1 ZINC000420812696 405388708 /nfs/dbraw/zinc/38/87/08/405388708.db2.gz VDQNLXXYAJFSIM-GFCCVEGCSA-N 0 3 308.451 2.395 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)Nc1ccccc1CCN(C)C ZINC000455233594 405389783 /nfs/dbraw/zinc/38/97/83/405389783.db2.gz UHTGNFDXZUMFMA-OAHLLOKOSA-N 0 3 305.422 2.239 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000420961128 405415179 /nfs/dbraw/zinc/41/51/79/405415179.db2.gz IFWQAJQHRPLRQA-MRXNPFEDSA-N 0 3 302.422 2.154 20 30 DEEDHN C=C(C)CN1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420603925 405360512 /nfs/dbraw/zinc/36/05/12/405360512.db2.gz QQWYXWUPPUNADE-UHFFFAOYSA-N 0 3 318.377 2.146 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000421027832 405435055 /nfs/dbraw/zinc/43/50/55/405435055.db2.gz VQECVWZALMKQFY-HNNXBMFYSA-N 0 3 315.417 2.266 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N1c2ccccc2C[C@H]1C ZINC000429700201 405443725 /nfs/dbraw/zinc/44/37/25/405443725.db2.gz HSIGMEJPWRBFIE-MRXNPFEDSA-N 0 3 315.461 2.404 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000448820176 405452054 /nfs/dbraw/zinc/45/20/54/405452054.db2.gz ZFYAULMJRKGUMI-SJORKVTESA-N 0 3 320.408 2.307 20 30 DEEDHN CC(C)[C@@H](CNCc1ccc(C#N)c(F)c1)N1CCOCC1 ZINC000421336172 405464987 /nfs/dbraw/zinc/46/49/87/405464987.db2.gz VPOOSOJYKSEWGZ-QGZVFWFLSA-N 0 3 305.397 2.144 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000577576661 405470513 /nfs/dbraw/zinc/47/05/13/405470513.db2.gz OATBTKXENNPKHD-KRWDZBQOSA-N 0 3 314.429 2.491 20 30 DEEDHN COc1cccc([C@H](CNC[C@@H](C#N)CCC#N)N(C)C)c1 ZINC000556481251 405486216 /nfs/dbraw/zinc/48/62/16/405486216.db2.gz LPHWJPBZJLXOAY-PBHICJAKSA-N 0 3 300.406 2.331 20 30 DEEDHN COc1cccnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456907426 405616338 /nfs/dbraw/zinc/61/63/38/405616338.db2.gz PGCMRTHOTUZECM-HNNXBMFYSA-N 0 3 309.369 2.479 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)NCC2(CC#N)CC2)c1 ZINC000431122278 405580886 /nfs/dbraw/zinc/58/08/86/405580886.db2.gz GUJKSXNGHFUFGH-UHFFFAOYSA-N 0 3 316.405 2.442 20 30 DEEDHN C[C@@H](NC(=O)NCCc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000582266622 405694109 /nfs/dbraw/zinc/69/41/09/405694109.db2.gz BVJOMQADJZWFPG-CQSZACIVSA-N 0 3 312.417 2.050 20 30 DEEDHN C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC000459042676 405711964 /nfs/dbraw/zinc/71/19/64/405711964.db2.gz PRRIHOVSHLRMAR-ZDUSSCGKSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000459037878 405708239 /nfs/dbraw/zinc/70/82/39/405708239.db2.gz VTCPSLBVUYGIGF-SJORKVTESA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NCCCCN1CCN(CC)CC1 ZINC000432116239 405726015 /nfs/dbraw/zinc/72/60/15/405726015.db2.gz OUSTVOOGOYOXOR-UHFFFAOYSA-N 0 3 324.513 2.306 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)COc1ccccc1C#N ZINC000530233324 405776677 /nfs/dbraw/zinc/77/66/77/405776677.db2.gz DWDMOOLZRIMRIW-ZBQZNYHESA-N 0 3 324.380 2.410 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CNc1cccc(C#N)c1 ZINC000495058986 405809448 /nfs/dbraw/zinc/80/94/48/405809448.db2.gz LNASXZZDXCMNMH-CABCVRRESA-N 0 3 314.433 2.207 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530027065 405771785 /nfs/dbraw/zinc/77/17/85/405771785.db2.gz LZQQODWBUBEBDJ-HNNXBMFYSA-N 0 3 315.392 2.373 20 30 DEEDHN CC(C)OC[C@H](CO)N(C)CCCOc1cccc(C#N)c1 ZINC000433155219 405881497 /nfs/dbraw/zinc/88/14/97/405881497.db2.gz XCGSPAVEUGYVET-INIZCTEOSA-N 0 3 306.406 2.045 20 30 DEEDHN CCOC(=O)[C@@](C)(O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433025256 405853148 /nfs/dbraw/zinc/85/31/48/405853148.db2.gz JEYYUEXNNUNKRA-RDJZCZTQSA-N 0 3 304.390 2.325 20 30 DEEDHN N#CC(C(=O)c1cnn(CC2CC2)c1)c1nnc2n1CCCCC2 ZINC000633900609 405897703 /nfs/dbraw/zinc/89/77/03/405897703.db2.gz ROKXVVAOVOIYMF-AWEZNQCLSA-N 0 3 324.388 2.101 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000566487425 406088591 /nfs/dbraw/zinc/08/85/91/406088591.db2.gz ZLIAXNRLOJDRBH-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CCC(CC)[C@H](CNC[C@@H](C#N)CCC#N)N1CCOCC1 ZINC000567103898 406094218 /nfs/dbraw/zinc/09/42/18/406094218.db2.gz XOJCROMYJKFEQP-WBVHZDCISA-N 0 3 306.454 2.157 20 30 DEEDHN CCC(CC)[C@@H](CNC[C@@H](C#N)CCC#N)N1CCOCC1 ZINC000567103896 406094423 /nfs/dbraw/zinc/09/44/23/406094423.db2.gz XOJCROMYJKFEQP-NVXWUHKLSA-N 0 3 306.454 2.157 20 30 DEEDHN C=CCCCCN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000567337782 406095691 /nfs/dbraw/zinc/09/56/91/406095691.db2.gz KTVDTWJCZSKQOH-CQSZACIVSA-N 0 3 300.468 2.137 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459792769 406048225 /nfs/dbraw/zinc/04/82/25/406048225.db2.gz JGBBZWFOJRBNJF-BPQIPLTHSA-N 0 3 320.477 2.449 20 30 DEEDHN Cc1cc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000516844704 406106163 /nfs/dbraw/zinc/10/61/63/406106163.db2.gz FBFPVXQMKZLMFD-HZPDHXFCSA-N 0 3 306.431 2.312 20 30 DEEDHN Cc1cccc2c1OC[C@H](NCc1cnc3c(C#N)cnn3c1)C2 ZINC000567888808 406154547 /nfs/dbraw/zinc/15/45/47/406154547.db2.gz SHKAROKQCFNNBA-MRXNPFEDSA-N 0 3 319.368 2.003 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC1CCN(C)CC1 ZINC000487748922 406261509 /nfs/dbraw/zinc/26/15/09/406261509.db2.gz BJRQSKOCAWHSCR-UHFFFAOYSA-N 0 3 320.433 2.409 20 30 DEEDHN C=CCSCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488578567 406332726 /nfs/dbraw/zinc/33/27/26/406332726.db2.gz YZEHBTWXVBAILY-AWEZNQCLSA-N 0 3 311.495 2.421 20 30 DEEDHN N#CCCC[C@@H]([NH3+])C(=O)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000570087467 406343435 /nfs/dbraw/zinc/34/34/35/406343435.db2.gz WNAPAUJRKDMMOU-LLVKDONJSA-N 0 3 318.768 2.085 20 30 DEEDHN CCC1CCC(N(CCO)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000488236541 406304582 /nfs/dbraw/zinc/30/45/82/406304582.db2.gz VQVADPHNGIYPIY-LEOMRAHMSA-N 0 3 323.481 2.304 20 30 DEEDHN COCCN(Cc1ccc(OC)c(C#N)c1)[C@@H]1CCO[C@@H]1C ZINC000489438579 406407020 /nfs/dbraw/zinc/40/70/20/406407020.db2.gz XNKULOOIBPHTST-CZUORRHYSA-N 0 3 304.390 2.193 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000546709915 406376458 /nfs/dbraw/zinc/37/64/58/406376458.db2.gz XBDIAOSPBNKEBW-LBPRGKRZSA-N 0 3 314.389 2.339 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C)C[C@@H]1CC ZINC000570325803 406377729 /nfs/dbraw/zinc/37/77/29/406377729.db2.gz PMHYKANPONPMFU-ROUUACIJSA-N 0 3 318.461 2.181 20 30 DEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000490616325 406474250 /nfs/dbraw/zinc/47/42/50/406474250.db2.gz KESBNEQMCJCVRT-KBPBESRZSA-N 0 3 320.458 2.214 20 30 DEEDHN C[C@]12CN([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000570898789 406450899 /nfs/dbraw/zinc/45/08/99/406450899.db2.gz NOPNFPFLLGCHQB-NLEPDTAZSA-N 0 3 309.413 2.453 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000491095909 406527727 /nfs/dbraw/zinc/52/77/27/406527727.db2.gz NOIYOLPFQTVVFY-AWEZNQCLSA-N 0 3 317.437 2.382 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccc(F)cc1 ZINC000491276636 406558938 /nfs/dbraw/zinc/55/89/38/406558938.db2.gz KMXHKVKFMVKJFY-CJNGLKHVSA-N 0 3 303.381 2.141 20 30 DEEDHN C#CCN(C1CCCC1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000491372959 406579620 /nfs/dbraw/zinc/57/96/20/406579620.db2.gz LICGGEIRAJDCKX-ZDUSSCGKSA-N 0 3 302.340 2.418 20 30 DEEDHN C#CCNC(=O)CCNCCOc1ccccc1-c1ccccc1 ZINC000491655179 406652632 /nfs/dbraw/zinc/65/26/32/406652632.db2.gz GHOBQMQCANDPPG-UHFFFAOYSA-N 0 3 322.408 2.462 20 30 DEEDHN C#C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(C)(C)C ZINC000491670900 406661302 /nfs/dbraw/zinc/66/13/02/406661302.db2.gz WABJWGYGWGRFDF-HNNXBMFYSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000491673179 406661969 /nfs/dbraw/zinc/66/19/69/406661969.db2.gz IDNTZJJVMYWELD-UHFFFAOYSA-N 0 3 309.413 2.091 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1c(F)cccc1F ZINC000491699840 406675421 /nfs/dbraw/zinc/67/54/21/406675421.db2.gz JOIQOCAILNVYMN-UHFFFAOYSA-N 0 3 309.360 2.061 20 30 DEEDHN C#C[C@@H](NC(=O)NCC1(N(C)C)CCC1)c1ccc(F)cc1 ZINC000491706057 406679876 /nfs/dbraw/zinc/67/98/76/406679876.db2.gz JRRPNOKVFUANFG-OAHLLOKOSA-N 0 3 303.381 2.284 20 30 DEEDHN C#CCN1CCC(C(=O)NCCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000491712259 406683592 /nfs/dbraw/zinc/68/35/92/406683592.db2.gz WSZKIDNWICJCAT-HUUCEWRRSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1ccccc1C(C)C ZINC000491725803 406688286 /nfs/dbraw/zinc/68/82/86/406688286.db2.gz IIHOABYSHWCRAM-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)cnc2OCC)CC1 ZINC000491743278 406698834 /nfs/dbraw/zinc/69/88/34/406698834.db2.gz QXXWGDVIFWNNDL-UHFFFAOYSA-N 0 3 301.390 2.072 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCSc2ccccc21 ZINC000491640201 406646233 /nfs/dbraw/zinc/64/62/33/406646233.db2.gz YFJXOZBYGVLONH-HNNXBMFYSA-N 0 3 302.443 2.337 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccc(F)cc1 ZINC000491642136 406647505 /nfs/dbraw/zinc/64/75/05/406647505.db2.gz VTKBJLQTNBXGNT-BLLLJJGKSA-N 0 3 303.381 2.282 20 30 DEEDHN C#CCNC(=O)C1CCN(CCSc2ccccc2)CC1 ZINC000491816683 406733980 /nfs/dbraw/zinc/73/39/80/406733980.db2.gz NMVMPZCKVHPZCH-UHFFFAOYSA-N 0 3 302.443 2.240 20 30 DEEDHN N#Cc1ccc(CN[C@]2(CO)COc3ccccc3C2)cc1F ZINC000527769181 406743970 /nfs/dbraw/zinc/74/39/70/406743970.db2.gz JUQLJRPZDQKUCA-GOSISDBHSA-N 0 3 312.344 2.153 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000491779764 406715967 /nfs/dbraw/zinc/71/59/67/406715967.db2.gz KQLGEEKNRPQHHL-CQSZACIVSA-N 0 3 305.422 2.163 20 30 DEEDHN C[C@H](Cc1ccccc1F)NCc1cnc2c(C#N)cnn2c1 ZINC000569387699 292410275 /nfs/dbraw/zinc/41/02/75/292410275.db2.gz CCJRAKJRBASPNX-GFCCVEGCSA-N 0 3 309.348 2.461 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000554629666 406818757 /nfs/dbraw/zinc/81/87/57/406818757.db2.gz BECCKKPJULRVOK-BFYDXBDKSA-N 0 3 314.433 2.356 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000556128060 406863046 /nfs/dbraw/zinc/86/30/46/406863046.db2.gz ZTSOAVJQXOTOIJ-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)s1 ZINC000131121829 196141943 /nfs/dbraw/zinc/14/19/43/196141943.db2.gz RCCAUXNDAPQUDL-CQSZACIVSA-N 0 3 305.447 2.164 20 30 DEEDHN C=CCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000132427328 196255441 /nfs/dbraw/zinc/25/54/41/196255441.db2.gz REMORGNUGXTMFM-UHFFFAOYSA-N 0 3 300.449 2.067 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2ccc(CC#N)cc2)CCSC1 ZINC000267211344 225349688 /nfs/dbraw/zinc/34/96/88/225349688.db2.gz SGVLBHGPFMJASN-INIZCTEOSA-N 0 3 318.446 2.311 20 30 DEEDHN Cc1ccc(NC(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000330702078 226025736 /nfs/dbraw/zinc/02/57/36/226025736.db2.gz ZMQYYTJDDCHWQY-UHFFFAOYSA-N 0 3 304.350 2.491 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000339237595 226184177 /nfs/dbraw/zinc/18/41/77/226184177.db2.gz UVSZLEQYLPAYDZ-QGZVFWFLSA-N 0 3 321.380 2.174 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)cc1 ZINC000340632920 226204008 /nfs/dbraw/zinc/20/40/08/226204008.db2.gz BLRKZPMPIVXEDS-INIZCTEOSA-N 0 3 321.446 2.061 20 30 DEEDHN COC[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000377933003 227205261 /nfs/dbraw/zinc/20/52/61/227205261.db2.gz SFXCLXDXNLPUIW-UMQBVGHOSA-N 0 3 300.402 2.394 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCOc2ccc(F)cc2)C[C@H]1C ZINC001328267003 1148758899 /nfs/dbraw/zinc/75/88/99/1148758899.db2.gz MKNKFEYFKUKNIH-GDBMZVCRSA-N 0 3 318.392 2.197 20 30 DEEDHN Cc1csc(CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001368902572 1148758488 /nfs/dbraw/zinc/75/84/88/1148758488.db2.gz KILSDUPRARWETF-LLVKDONJSA-N 0 3 308.451 2.185 20 30 DEEDHN Cc1nc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488078041 421069447 /nfs/dbraw/zinc/06/94/47/421069447.db2.gz HUZHUVORIZANFR-IBGZPJMESA-N 0 3 322.412 2.311 20 30 DEEDHN C=CC1CCN(C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000369682639 424876248 /nfs/dbraw/zinc/87/62/48/424876248.db2.gz GASSHMHAKYLCNK-UHFFFAOYSA-N 0 3 317.437 2.580 20 30 DEEDHN COc1ccc([C@H](CNc2cc(C#N)ncn2)N2CCCC2)cc1 ZINC000565870447 424907422 /nfs/dbraw/zinc/90/74/22/424907422.db2.gz UPTFVVDNTYDXSM-KRWDZBQOSA-N 0 3 323.400 2.606 20 30 DEEDHN CC#CC[C@@H](CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000649181425 424965030 /nfs/dbraw/zinc/96/50/30/424965030.db2.gz ZXSQEYAINOUHFO-SFHVURJKSA-N 0 3 314.429 2.177 20 30 DEEDHN COc1cccc([C@@H](CNc2cc(C#N)cnn2)N2CCCC2)c1 ZINC000596060972 425017047 /nfs/dbraw/zinc/01/70/47/425017047.db2.gz ZCCWGTGYIGYOOG-QGZVFWFLSA-N 0 3 323.400 2.606 20 30 DEEDHN Cc1c(C#N)c(NCCCN2CCC(O)CC2)nc2ccccc12 ZINC000596085294 425018301 /nfs/dbraw/zinc/01/83/01/425018301.db2.gz MBQPZXVPCCDSBB-UHFFFAOYSA-N 0 3 324.428 2.674 20 30 DEEDHN C=CCCCCN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000649552205 425040897 /nfs/dbraw/zinc/04/08/97/425040897.db2.gz QBDISIIJGKQWCU-UHFFFAOYSA-N 0 3 300.468 2.233 20 30 DEEDHN C=CCn1c(N)nnc1SCCN(C)Cc1ccccc1 ZINC000450790333 425080632 /nfs/dbraw/zinc/08/06/32/425080632.db2.gz JYFVOSLUEGVUKR-UHFFFAOYSA-N 0 3 303.435 2.270 20 30 DEEDHN C=CCCn1cc(CNC[C@@H](C)N(C)Cc2ccccc2)nn1 ZINC000657358533 425316033 /nfs/dbraw/zinc/31/60/33/425316033.db2.gz XPFGTVGGUPZCNI-MRXNPFEDSA-N 0 3 313.449 2.464 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N(C)CCN1CCCCC1 ZINC000652561908 425294105 /nfs/dbraw/zinc/29/41/05/425294105.db2.gz IWCNUWBURDRLBI-OAHLLOKOSA-N 0 3 319.453 2.238 20 30 DEEDHN C=CC[C@H]1CCCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000661383497 425396194 /nfs/dbraw/zinc/39/61/94/425396194.db2.gz DJFHRTWRCIKYEO-AWEZNQCLSA-N 0 3 308.447 2.383 20 30 DEEDHN C=CCOCCCNCc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000657657786 425382417 /nfs/dbraw/zinc/38/24/17/425382417.db2.gz CMPKHXASGFRINC-UHFFFAOYSA-N 0 3 315.417 2.167 20 30 DEEDHN CC#CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000664704284 425440226 /nfs/dbraw/zinc/44/02/26/425440226.db2.gz TWMKTPFGTNNLCR-UHFFFAOYSA-N 0 3 314.433 2.006 20 30 DEEDHN C=CCN(C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661669537 425476077 /nfs/dbraw/zinc/47/60/77/425476077.db2.gz RHVSBYBMKIJUSG-UHFFFAOYSA-N 0 3 302.422 2.121 20 30 DEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNCC2)[C@H](C)COC ZINC000659017252 425521060 /nfs/dbraw/zinc/52/10/60/425521060.db2.gz GPISQKVYWLEDKB-CYBMUJFWSA-N 0 3 303.406 2.387 20 30 DEEDHN C=CCN(CC(=O)NC[C@H]1COc2ccccc2O1)C(C)(C)C ZINC000661754961 425495109 /nfs/dbraw/zinc/49/51/09/425495109.db2.gz IKPNRUYUZBRCJF-AWEZNQCLSA-N 0 3 318.417 2.229 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000665386607 425560584 /nfs/dbraw/zinc/56/05/84/425560584.db2.gz ZJRSGZCLJNGNEL-BRWVUGGUSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000665386610 425560904 /nfs/dbraw/zinc/56/09/04/425560904.db2.gz ZJRSGZCLJNGNEL-ZACQAIPSSA-N 0 3 323.481 2.267 20 30 DEEDHN Cn1cc(CN[C@@H](COC(N)=O)Cc2ccccc2)cc1C#N ZINC000496907041 269265264 /nfs/dbraw/zinc/26/52/64/269265264.db2.gz ABYACIAHJSORAG-OAHLLOKOSA-N 0 3 312.373 2.107 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1c(F)cccc1C#N ZINC000505324637 269309918 /nfs/dbraw/zinc/30/99/18/269309918.db2.gz CGSKMQMNYBGQGG-ZDUSSCGKSA-N 0 3 303.381 2.230 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H]1C ZINC001088919314 782047137 /nfs/dbraw/zinc/04/71/37/782047137.db2.gz ZROPMGPKMBAPTR-NEPJUHHUSA-N 0 3 321.446 2.006 20 30 DEEDHN CS[C@H]1CN(c2nccc(C)c2C#N)C[C@@H]1N1CCCC1 ZINC000275898048 274187494 /nfs/dbraw/zinc/18/74/94/274187494.db2.gz ZAIBWKVUNVWTDM-GJZGRUSLSA-N 0 3 302.447 2.278 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000295047652 275741874 /nfs/dbraw/zinc/74/18/74/275741874.db2.gz SNDGVBKPZLZQSY-UHFFFAOYSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000358288101 276892432 /nfs/dbraw/zinc/89/24/32/276892432.db2.gz ISQJADISMBPUEH-QGZVFWFLSA-N 0 3 319.449 2.003 20 30 DEEDHN CN1CC[C@@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000450775506 277149856 /nfs/dbraw/zinc/14/98/56/277149856.db2.gz FVDJAVNORFNWOC-BZNIZROVSA-N 0 3 323.356 2.155 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000459049703 277902585 /nfs/dbraw/zinc/90/25/85/277902585.db2.gz WCNVBEJBLWACMY-BBWFWOEESA-N 0 3 321.465 2.380 20 30 DEEDHN CC(C)c1cc(C(=O)N[C@H](CO)CN2CCCCC2)cc(=O)[nH]1 ZINC000330619416 278005609 /nfs/dbraw/zinc/00/56/09/278005609.db2.gz ZDOYUFXWGVWLES-AWEZNQCLSA-N 0 3 321.421 2.062 20 30 DEEDHN COc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1=O ZINC000193018953 278055934 /nfs/dbraw/zinc/05/59/34/278055934.db2.gz ZAFADUZUMDUTIH-ZNMIVQPWSA-N 0 3 313.401 2.472 20 30 DEEDHN COc1ccccc1N1CC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1=O ZINC000249057306 278056156 /nfs/dbraw/zinc/05/61/56/278056156.db2.gz ZAFADUZUMDUTIH-ILXRZTDVSA-N 0 3 313.401 2.472 20 30 DEEDHN C[C@H](CNC(=O)N[C@H]1CCCc2c[nH]nc21)N1CCC(C)CC1 ZINC000330088133 278159754 /nfs/dbraw/zinc/15/97/54/278159754.db2.gz UKSRSDUPYBYEEM-HIFRSBDPSA-N 0 3 319.453 2.411 20 30 DEEDHN CC[C@](C)(C#N)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351816427 281282181 /nfs/dbraw/zinc/28/21/81/281282181.db2.gz RCVKEBPIZXSBEV-RLFYNMQTSA-N 0 3 321.465 2.274 20 30 DEEDHN CN(C)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000054853245 281481751 /nfs/dbraw/zinc/48/17/51/281481751.db2.gz JZZJYDOSCLWQPL-UHFFFAOYSA-N 0 3 313.357 2.022 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)C(N)=O)cc1 ZINC000133227840 282012080 /nfs/dbraw/zinc/01/20/80/282012080.db2.gz LAXAKIUKYPJMEG-MKXGPGLRSA-N 0 3 317.392 2.260 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2ncc3ccccc32)[C@H]1C ZINC001088926768 782053446 /nfs/dbraw/zinc/05/34/46/782053446.db2.gz RBUHJSUXYMKEOP-ZBFHGGJFSA-N 0 3 312.417 2.191 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001423680957 1173487074 /nfs/dbraw/zinc/48/70/74/1173487074.db2.gz JXXUQQSRMXEWRM-AAEUAGOBSA-N 0 3 305.344 2.317 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@H](O)C12CCCC2)N1CCC[C@@H](C)C1 ZINC000330341292 298244760 /nfs/dbraw/zinc/24/47/60/298244760.db2.gz ZBIGKTFUFDWYEY-OAGGEKHMSA-N 0 3 323.481 2.400 20 30 DEEDHN Cc1cnc(CN(CCN(C)C)Cc2ccc(C#N)cc2)n1C ZINC000348889087 302341322 /nfs/dbraw/zinc/34/13/22/302341322.db2.gz BWVHKTYHCBAPLN-UHFFFAOYSA-N 0 3 311.433 2.164 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cncnc1C ZINC001368913489 1148766127 /nfs/dbraw/zinc/76/61/27/1148766127.db2.gz KFMOLBWCSGWYJV-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN COc1cc(CNC[C@H](O)COc2ccccc2)ccc1C#N ZINC000574237500 326136120 /nfs/dbraw/zinc/13/61/20/326136120.db2.gz RWRFGTMKUYXENR-INIZCTEOSA-N 0 3 312.369 2.096 20 30 DEEDHN COC(=O)c1ccc(NC[C@H](C)N2CCC[C@H](C)C2)c(C#N)n1 ZINC000575430190 326239541 /nfs/dbraw/zinc/23/95/41/326239541.db2.gz SLHWIBOWYLSGLI-STQMWFEESA-N 0 3 316.405 2.272 20 30 DEEDHN CN(C)[C@]1(CNc2ncc3c(c2C#N)CCC3)CCSC1 ZINC000577173549 326347130 /nfs/dbraw/zinc/34/71/30/326347130.db2.gz DINORCMHIRWPNC-INIZCTEOSA-N 0 3 302.447 2.291 20 30 DEEDHN Cc1cc([C@H](NC[C@@H](O)CN(C)CCC#N)C2CC2)ccc1F ZINC000565594385 331733545 /nfs/dbraw/zinc/73/35/45/331733545.db2.gz VPVRYLVSSYXRAJ-SJLPKXTDSA-N 0 3 319.424 2.381 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)c1ccn(CCN(C)C)n1 ZINC000574050851 332313515 /nfs/dbraw/zinc/31/35/15/332313515.db2.gz AELHPWVMRMBOKR-UHFFFAOYSA-N 0 3 318.446 2.335 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cc2ccccc2n(C)c1=O ZINC000583388936 332380839 /nfs/dbraw/zinc/38/08/39/332380839.db2.gz OPKAFBRVCGPOJM-UHFFFAOYSA-N 0 3 313.445 2.478 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583419730 332397764 /nfs/dbraw/zinc/39/77/64/332397764.db2.gz YJADMBYKKZLWIG-JKSUJKDBSA-N 0 3 323.481 2.483 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000563007818 333039383 /nfs/dbraw/zinc/03/93/83/333039383.db2.gz NQHRKHHSOWNXPQ-DJIMGWMZSA-N 0 3 306.381 2.363 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN2CCC(C#N)CC2)C1 ZINC000497231318 333225769 /nfs/dbraw/zinc/22/57/69/333225769.db2.gz HYEUBKPJOIBHOW-RHSMWYFYSA-N 0 3 305.422 2.479 20 30 DEEDHN CN1CCC(NN=C2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000497283252 333231332 /nfs/dbraw/zinc/23/13/32/333231332.db2.gz CFNSLBKEZUSOQM-UHFFFAOYSA-N 0 3 324.469 2.446 20 30 DEEDHN COc1ccc([C@H](CCC#N)NC[C@@H](O)[C@@H]2CCOC2)cc1 ZINC000583604477 335772057 /nfs/dbraw/zinc/77/20/57/335772057.db2.gz CSHSACHALXWSEY-HYVNUMGLSA-N 0 3 304.390 2.027 20 30 DEEDHN C=CCOCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000354792564 336482489 /nfs/dbraw/zinc/48/24/89/336482489.db2.gz OOKWBSKWQXWNOG-UHFFFAOYSA-N 0 3 312.360 2.058 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(C(C)(F)F)cc1 ZINC000582481616 337096733 /nfs/dbraw/zinc/09/67/33/337096733.db2.gz BCTQFPGOXSTHJY-HNNXBMFYSA-N 0 3 311.376 2.094 20 30 DEEDHN CC(C)(C)N1C[C@@H](C(=O)N[C@@H](C#N)C2CC2)[C@H](C(F)(F)F)C1 ZINC000582860279 337208827 /nfs/dbraw/zinc/20/88/27/337208827.db2.gz WBMXWQTVKGXVML-UTUOFQBUSA-N 0 3 317.355 2.314 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185585764 337249308 /nfs/dbraw/zinc/24/93/08/337249308.db2.gz UBYWEVMGRQINAR-HOCLYGCPSA-N 0 3 300.402 2.341 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CO[C@@H](C)C1)C(C)C ZINC000515349177 337986681 /nfs/dbraw/zinc/98/66/81/337986681.db2.gz YSQXOCMWVBEDMG-ARFHVFGLSA-N 0 3 309.454 2.162 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516187105 338006211 /nfs/dbraw/zinc/00/62/11/338006211.db2.gz HXADFCJXDZDRSY-AWEZNQCLSA-N 0 3 310.825 2.304 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)C1 ZINC000516157470 338006699 /nfs/dbraw/zinc/00/66/99/338006699.db2.gz MNVILDKALXHQJK-WOYTXXSLSA-N 0 3 318.465 2.440 20 30 DEEDHN C[C@H](C#N)OCCN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496526571 340007174 /nfs/dbraw/zinc/00/71/74/340007174.db2.gz CZVPKFYQMLRCFY-CHWSQXEVSA-N 0 3 303.362 2.222 20 30 DEEDHN CC(C)(C)OC(=O)NCCOCCN1CCC(CC#N)CC1 ZINC000496569421 340007966 /nfs/dbraw/zinc/00/79/66/340007966.db2.gz XHGGTHQNEUWRRH-UHFFFAOYSA-N 0 3 311.426 2.153 20 30 DEEDHN C#Cc1ccc(CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)cc1 ZINC000496664004 340010067 /nfs/dbraw/zinc/01/00/67/340010067.db2.gz SOJDCHQWXGJERB-GOSISDBHSA-N 0 3 318.417 2.033 20 30 DEEDHN C[C@@H](C#N)OCCN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496758288 340012170 /nfs/dbraw/zinc/01/21/70/340012170.db2.gz NLTOUKNZHOTSHL-WMLDXEAASA-N 0 3 323.437 2.248 20 30 DEEDHN CC#CCN1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000496774096 340012639 /nfs/dbraw/zinc/01/26/39/340012639.db2.gz QQKLFMVAQXCHJU-OAHLLOKOSA-N 0 3 322.449 2.263 20 30 DEEDHN C=CCc1cc(CNC2(COC)CCOCC2)cc(OC)c1O ZINC000552083511 341368222 /nfs/dbraw/zinc/36/82/22/341368222.db2.gz JQEKEIRWVVNSKI-UHFFFAOYSA-N 0 3 321.417 2.415 20 30 DEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc2c(c1)CCCC2 ZINC000576578952 341853284 /nfs/dbraw/zinc/85/32/84/341853284.db2.gz UWLATAXSSZLTRV-HNAYVOBHSA-N 0 3 315.461 2.422 20 30 DEEDHN CC1(C)CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000580640352 341890742 /nfs/dbraw/zinc/89/07/42/341890742.db2.gz GKOQAYZIYGQWIH-AWEZNQCLSA-N 0 3 321.446 2.285 20 30 DEEDHN C=CCCC(=O)N1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001356970764 1152195448 /nfs/dbraw/zinc/19/54/48/1152195448.db2.gz NUSMIKAFHALLOB-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)c(OC)c2)[C@H]1C ZINC001089017158 782115067 /nfs/dbraw/zinc/11/50/67/782115067.db2.gz QDQPUGDWCYIJCG-HIFRSBDPSA-N 0 3 318.417 2.473 20 30 DEEDHN CCCCCCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC001329826056 1149000353 /nfs/dbraw/zinc/00/03/53/1149000353.db2.gz MMKXPAODHSAUQO-INIZCTEOSA-N 0 3 323.481 2.160 20 30 DEEDHN COC(=O)c1ccc(N=NC2CN(C3CC3)C[C@H]2C)cc1F ZINC000835018540 649866916 /nfs/dbraw/zinc/86/69/16/649866916.db2.gz PRQPHVZVCYRCQR-SNVBAGLBSA-N 0 3 305.353 2.494 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001378154851 1161060918 /nfs/dbraw/zinc/06/09/18/1161060918.db2.gz NGGOUTNWMIHBRW-HUUCEWRRSA-N 0 3 315.889 2.438 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2C)C1 ZINC001329971547 1149025879 /nfs/dbraw/zinc/02/58/79/1149025879.db2.gz LXLQMDMRUNTUKV-INIZCTEOSA-N 0 3 316.445 2.443 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)[C@H]1C ZINC001089049464 782137535 /nfs/dbraw/zinc/13/75/35/782137535.db2.gz MGNYYJHCAJIRLD-OCCSQVGLSA-N 0 3 314.389 2.438 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)[C@H]1C ZINC001089051296 782139969 /nfs/dbraw/zinc/13/99/69/782139969.db2.gz JJFBJWBSJFSCMC-UHOFOFEASA-N 0 3 318.392 2.284 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H](F)C(C)C)C1 ZINC001368820216 1148689901 /nfs/dbraw/zinc/68/99/01/1148689901.db2.gz DIDATHWWIODDEH-MCIGGMRASA-N 0 3 321.234 2.374 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001330174000 1149059779 /nfs/dbraw/zinc/05/97/79/1149059779.db2.gz CFSAVEVMJOCDNN-QBOMHBFWSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC001330240477 1149076361 /nfs/dbraw/zinc/07/63/61/1149076361.db2.gz CUKWVGRQKDQXFW-CABCVRRESA-N 0 3 306.450 2.206 20 30 DEEDHN COC(=O)c1cccc(NC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000433323106 534277892 /nfs/dbraw/zinc/27/78/92/534277892.db2.gz UODRTEZGNVUZLS-LBPRGKRZSA-N 0 3 315.373 2.036 20 30 DEEDHN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000297352456 534316149 /nfs/dbraw/zinc/31/61/49/534316149.db2.gz HXLPMXAQZSKFKU-AWEZNQCLSA-N 0 3 312.417 2.184 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(S(=O)(=O)CC)cc1 ZINC000451682744 534573234 /nfs/dbraw/zinc/57/32/34/534573234.db2.gz PXRQNYFTKHCGQY-CVEARBPZSA-N 0 3 309.431 2.303 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000453341786 534610876 /nfs/dbraw/zinc/61/08/76/534610876.db2.gz CXXBNYFLRCOMLW-MAZHCROVSA-N 0 3 324.446 2.442 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000451595556 534611279 /nfs/dbraw/zinc/61/12/79/534611279.db2.gz DHUZLFHXQBZWJO-XHSDSOJGSA-N 0 3 304.390 2.345 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000193354859 534782021 /nfs/dbraw/zinc/78/20/21/534782021.db2.gz NXFDIXXEXXXNGB-RCCFBDPRSA-N 0 3 322.412 2.331 20 30 DEEDHN N#Cc1csc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000428480421 534830226 /nfs/dbraw/zinc/83/02/26/534830226.db2.gz LKPKAJHVQKYVHO-SNVBAGLBSA-N 0 3 317.336 2.120 20 30 DEEDHN CC#CCN(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000417693247 526352046 /nfs/dbraw/zinc/35/20/46/526352046.db2.gz ZLUVTSFJWBFWCM-UHFFFAOYSA-N 0 3 319.405 2.123 20 30 DEEDHN CC#CCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000292377338 526373921 /nfs/dbraw/zinc/37/39/21/526373921.db2.gz KQRFNGFOJFJAJN-QGZVFWFLSA-N 0 3 315.417 2.155 20 30 DEEDHN CNC(=O)c1cccc(CN2CCC([C@H](C)NC(C)=O)CC2)c1 ZINC000331098403 526409965 /nfs/dbraw/zinc/40/99/65/526409965.db2.gz BSXWRWZEVJJEKW-ZDUSSCGKSA-N 0 3 317.433 2.358 20 30 DEEDHN CNC(=O)c1cccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000330574756 526410187 /nfs/dbraw/zinc/41/01/87/526410187.db2.gz OCNKOTXYIYTGBO-CHWSQXEVSA-N 0 3 303.406 2.110 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCOC[C@H](C3CCC3)C2)CC1 ZINC000368196268 526428756 /nfs/dbraw/zinc/42/87/56/526428756.db2.gz ZVDZBADUSRIRIM-MRXNPFEDSA-N 0 3 321.465 2.095 20 30 DEEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2[C@@H](O)c2ccccc2)C1=O ZINC000368538792 526506310 /nfs/dbraw/zinc/50/63/10/526506310.db2.gz MTTLGRXLCNNGLM-SQNIBIBYSA-N 0 3 314.429 2.361 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000340375231 526526145 /nfs/dbraw/zinc/52/61/45/526526145.db2.gz UBSKDGSECUCQAO-RHSMWYFYSA-N 0 3 310.438 2.123 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000422953880 526618420 /nfs/dbraw/zinc/61/84/20/526618420.db2.gz GURWFKRPSMMQDU-AWEZNQCLSA-N 0 3 302.378 2.060 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000422953881 526618571 /nfs/dbraw/zinc/61/85/71/526618571.db2.gz GURWFKRPSMMQDU-CQSZACIVSA-N 0 3 302.378 2.060 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552223 526634560 /nfs/dbraw/zinc/63/45/60/526634560.db2.gz PWYVUZUOTFMHBO-IRXDYDNUSA-N 0 3 315.461 2.131 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000364810092 526635243 /nfs/dbraw/zinc/63/52/43/526635243.db2.gz YROQVSHOEIODMV-CZUORRHYSA-N 0 3 319.792 2.307 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000336975939 526688268 /nfs/dbraw/zinc/68/82/68/526688268.db2.gz WJQPRQDJHPVKAU-GXTWGEPZSA-N 0 3 307.344 2.500 20 30 DEEDHN C#CCCCS(=O)(=O)NC[C@H]1CCCN1C1CCCCC1 ZINC000376314239 526720961 /nfs/dbraw/zinc/72/09/61/526720961.db2.gz NRVIVGYWEYRJOX-MRXNPFEDSA-N 0 3 312.479 2.116 20 30 DEEDHN C=CCOCCN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000339020278 526772003 /nfs/dbraw/zinc/77/20/03/526772003.db2.gz DNYVZIICRLFDCJ-UHFFFAOYSA-N 0 3 321.417 2.316 20 30 DEEDHN C#CCN(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000292663497 526791606 /nfs/dbraw/zinc/79/16/06/526791606.db2.gz ZCSHYSQNZPKAFF-KRWDZBQOSA-N 0 3 317.433 2.353 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1cccs1)C1CC1 ZINC000297590946 526806508 /nfs/dbraw/zinc/80/65/08/526806508.db2.gz VAYLCEBTHGNPCK-UHFFFAOYSA-N 0 3 305.447 2.377 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)CCc1ccccc1C ZINC000296714190 526808258 /nfs/dbraw/zinc/80/82/58/526808258.db2.gz BOSNHADSSBSZBI-UHFFFAOYSA-N 0 3 301.434 2.134 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000293848367 526823246 /nfs/dbraw/zinc/82/32/46/526823246.db2.gz AFHFCOMFYZJYPE-ZIAGYGMSSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3cn[nH]c3)c2)CC1 ZINC000128877604 526933910 /nfs/dbraw/zinc/93/39/10/526933910.db2.gz WRSIMAFNUYSWJP-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C#CCNC(=O)C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000375570279 526969234 /nfs/dbraw/zinc/96/92/34/526969234.db2.gz YBYBJGAWOGLUSM-QGZVFWFLSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340209785 527119076 /nfs/dbraw/zinc/11/90/76/527119076.db2.gz VUFRBQPKTZVZGA-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000341370138 527148506 /nfs/dbraw/zinc/14/85/06/527148506.db2.gz MGXRUWTWIFMRPX-INIZCTEOSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCCCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000376309255 527153138 /nfs/dbraw/zinc/15/31/38/527153138.db2.gz DEZFQGIBNAOSCW-SJORKVTESA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCOC[C@H](C)C1 ZINC000338248978 527263046 /nfs/dbraw/zinc/26/30/46/527263046.db2.gz AZAOCXVZANUNBV-WBVHZDCISA-N 0 3 305.418 2.123 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339622764 527264868 /nfs/dbraw/zinc/26/48/68/527264868.db2.gz QQICJGKWLQQXQJ-XYJFISCASA-N 0 3 318.461 2.179 20 30 DEEDHN C=CCC[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000330601405 527482923 /nfs/dbraw/zinc/48/29/23/527482923.db2.gz DJASDDUSNTVYCX-AWEZNQCLSA-N 0 3 312.435 2.301 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294998250 527546386 /nfs/dbraw/zinc/54/63/86/527546386.db2.gz UYCJHFBPJMJGRH-NVXWUHKLSA-N 0 3 322.474 2.455 20 30 DEEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000353572830 527594347 /nfs/dbraw/zinc/59/43/47/527594347.db2.gz ZGQUMWOMTWGCDJ-CMPLNLGQSA-N 0 3 312.797 2.202 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000442678450 527611141 /nfs/dbraw/zinc/61/11/41/527611141.db2.gz LJANVTGXYAGMEM-MOPGFXCFSA-N 0 3 316.445 2.342 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000348459799 527635527 /nfs/dbraw/zinc/63/55/27/527635527.db2.gz SNYDSESQLWSURO-YNEHKIRRSA-N 0 3 302.365 2.325 20 30 DEEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292689111 527642053 /nfs/dbraw/zinc/64/20/53/527642053.db2.gz AJBGSHJKKMDNTB-KRWDZBQOSA-N 0 3 305.418 2.289 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnn2c1CCC2)C(C)C ZINC000294902385 527647465 /nfs/dbraw/zinc/64/74/65/527647465.db2.gz HLWJROCCTAJEBU-KRWDZBQOSA-N 0 3 316.449 2.258 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000328831578 527953291 /nfs/dbraw/zinc/95/32/91/527953291.db2.gz VIGRLBPGJJNHIE-CQSZACIVSA-N 0 3 311.426 2.341 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)C2CCOCC2)c([O-])c1 ZINC000265563949 528293453 /nfs/dbraw/zinc/29/34/53/528293453.db2.gz ZCEVGUTUNGTQMN-LPGQDOADSA-N 0 3 320.433 2.445 20 30 DEEDHN CC(C)[C@@H](NCC(=O)Nc1cccc(C#N)c1)C1(CO)CCC1 ZINC000293096273 528583610 /nfs/dbraw/zinc/58/36/10/528583610.db2.gz PWLOCJLTLCZERN-QGZVFWFLSA-N 0 3 315.417 2.274 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC000246344739 528689823 /nfs/dbraw/zinc/68/98/23/528689823.db2.gz INWOQGJFHWKSII-QAPCUYQASA-N 0 3 313.445 2.484 20 30 DEEDHN CCN1CCC(NC(=O)NCc2ccc(OC)c(F)c2)CC1 ZINC000330387597 528974064 /nfs/dbraw/zinc/97/40/64/528974064.db2.gz BVKXNFDPTOJLBV-UHFFFAOYSA-N 0 3 309.385 2.322 20 30 DEEDHN CC(C)N1CCC(N(C)S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000298149249 528991462 /nfs/dbraw/zinc/99/14/62/528991462.db2.gz FGQYYEZGWJNDPT-UHFFFAOYSA-N 0 3 321.446 2.052 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)C2(C#N)CCC2)cc1F ZINC000458300524 535906838 /nfs/dbraw/zinc/90/68/38/535906838.db2.gz VCBFRAHNURYQGJ-UHFFFAOYSA-N 0 3 305.353 2.398 20 30 DEEDHN C#CCN(CC)c1nnc(C(C)C)n1CCN1CC=CCC1 ZINC001358999905 1152536993 /nfs/dbraw/zinc/53/69/93/1152536993.db2.gz GTCKOFGCEDRMEB-UHFFFAOYSA-N 0 3 301.438 2.123 20 30 DEEDHN C#CCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835066550 649874397 /nfs/dbraw/zinc/87/43/97/649874397.db2.gz YDJVRSKLFJRHCR-GXSJLCMTSA-N 0 3 322.723 2.165 20 30 DEEDHN C=CCN1Cc2ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc2C1 ZINC001327685863 1148622655 /nfs/dbraw/zinc/62/26/55/1148622655.db2.gz SXRJMBPMGMQJIA-SFHVURJKSA-N 0 3 315.461 2.391 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1nccs1 ZINC001368740381 1148630160 /nfs/dbraw/zinc/63/01/60/1148630160.db2.gz HTUXXYKPIJTMSV-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001368811390 1148681782 /nfs/dbraw/zinc/68/17/82/1148681782.db2.gz XAUIHKAZJNBYFQ-UHFFFAOYSA-N 0 3 324.856 2.489 20 30 DEEDHN C=CCOCC(=O)N1C[C@@]2(C)CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001330524463 1149177400 /nfs/dbraw/zinc/17/74/00/1149177400.db2.gz CDIJVMAWEMODCK-BHYGNILZSA-N 0 3 312.429 2.108 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735412697 599476285 /nfs/dbraw/zinc/47/62/85/599476285.db2.gz JDTPHBBJQOFWNP-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735412697 599476287 /nfs/dbraw/zinc/47/62/87/599476287.db2.gz JDTPHBBJQOFWNP-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735412697 599476288 /nfs/dbraw/zinc/47/62/88/599476288.db2.gz JDTPHBBJQOFWNP-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=CCCC[N@H+](C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735412697 599476290 /nfs/dbraw/zinc/47/62/90/599476290.db2.gz JDTPHBBJQOFWNP-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001330582926 1149202413 /nfs/dbraw/zinc/20/24/13/1149202413.db2.gz DEGRMZPMSTUMNZ-JOCQHMNTSA-N 0 3 313.239 2.490 20 30 DEEDHN C=CC[C@H](C)[C@H](C)[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000823888268 608280721 /nfs/dbraw/zinc/28/07/21/608280721.db2.gz ILYUIKUQBXEDEJ-STQMWFEESA-N 0 3 301.394 2.436 20 30 DEEDHN C=CC[C@H](C)[C@H](C)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823888268 608280722 /nfs/dbraw/zinc/28/07/22/608280722.db2.gz ILYUIKUQBXEDEJ-STQMWFEESA-N 0 3 301.394 2.436 20 30 DEEDHN CC(CCCC[NH+](C)C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824400119 609276059 /nfs/dbraw/zinc/27/60/59/609276059.db2.gz AHDYGUZENMZEAE-UHFFFAOYSA-N 0 3 301.398 2.386 20 30 DEEDHN CC(CCCC[NH+](C)C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824400119 609276060 /nfs/dbraw/zinc/27/60/60/609276060.db2.gz AHDYGUZENMZEAE-UHFFFAOYSA-N 0 3 301.398 2.386 20 30 DEEDHN N#CCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826380587 609431299 /nfs/dbraw/zinc/43/12/99/609431299.db2.gz 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/nfs/dbraw/zinc/33/11/53/625331153.db2.gz YUJZLJDNVQLHAE-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(F)c(OC)c2)C1 ZINC001023610070 625347958 /nfs/dbraw/zinc/34/79/58/625347958.db2.gz YZHFJBMZCHAQJL-CQSZACIVSA-N 0 3 318.392 2.299 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001007559272 625349004 /nfs/dbraw/zinc/34/90/04/625349004.db2.gz GHRJEZVSITYVNP-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC001023636956 625366716 /nfs/dbraw/zinc/36/67/16/625366716.db2.gz YOOCNGNNYDFZPN-CYBMUJFWSA-N 0 3 303.406 2.488 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001023643083 625371125 /nfs/dbraw/zinc/37/11/25/625371125.db2.gz OLJIPSZYZOFHIR-CQSZACIVSA-N 0 3 303.406 2.011 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ncoc2CC)C1 ZINC001025370823 625386049 /nfs/dbraw/zinc/38/60/49/625386049.db2.gz ANPBHCWZZJMXST-KGLIPLIRSA-N 0 3 303.406 2.091 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(F)nc2)C1 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C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccccc2F)C1 ZINC001021726494 624008240 /nfs/dbraw/zinc/00/82/40/624008240.db2.gz CTXLVOLQRIUIGE-FUHWJXTLSA-N 0 3 314.404 2.314 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2sc(C)nc2C)C1 ZINC001021727607 624009330 /nfs/dbraw/zinc/00/93/30/624009330.db2.gz NESYESPNCLEMCS-CABCVRRESA-N 0 3 317.458 2.320 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCc2cscn2)C1 ZINC001021742492 624028310 /nfs/dbraw/zinc/02/83/10/624028310.db2.gz DSIHNIMUQVKQGK-ZBFHGGJFSA-N 0 3 317.458 2.022 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)c3ccncc3)C2)c1 ZINC001021776788 624068425 /nfs/dbraw/zinc/06/84/25/624068425.db2.gz WDYMWGLFJFLDCK-IYBDPMFKSA-N 0 3 324.359 2.143 20 30 DEEDHN COCc1cccc(CN(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c1 ZINC000971218929 624072703 /nfs/dbraw/zinc/07/27/03/624072703.db2.gz UTHRVSBVHWMHNN-RHSMWYFYSA-N 0 3 315.417 2.025 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)c3ccoc3)C2)c1 ZINC001021833036 624120646 /nfs/dbraw/zinc/12/06/46/624120646.db2.gz 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/nfs/dbraw/zinc/60/89/72/624608972.db2.gz FYQAGQRKMYGANS-SECBINFHSA-N 0 3 303.284 2.026 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccsc1 ZINC000121583065 624615841 /nfs/dbraw/zinc/61/58/41/624615841.db2.gz GDUGWWDJMFCPFO-DGCLKSJQSA-N 0 3 308.403 2.103 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001022441668 624664495 /nfs/dbraw/zinc/66/44/95/624664495.db2.gz AFYLYWFMVCDHHW-TXEJJXNPSA-N 0 3 309.797 2.463 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)cc2OC)C1 ZINC001027657669 634401121 /nfs/dbraw/zinc/40/11/21/634401121.db2.gz SHSJGWJJUALTQE-HNNXBMFYSA-N 0 3 300.402 2.173 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000971895967 624697436 /nfs/dbraw/zinc/69/74/36/624697436.db2.gz LLABSBVRWMUXBA-HOCLYGCPSA-N 0 3 320.820 2.362 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001022611200 624782122 /nfs/dbraw/zinc/78/21/22/624782122.db2.gz CGGNEHQCFBCGFN-MJBXVCDLSA-N 0 3 305.809 2.101 20 30 DEEDHN C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001022658075 624799818 /nfs/dbraw/zinc/79/98/18/624799818.db2.gz VVGWWSBZOAUBSI-VCOSZWKGSA-N 0 3 315.392 2.480 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC000998813405 634411265 /nfs/dbraw/zinc/41/12/65/634411265.db2.gz RPLLPNZYWSRTBO-UHFFFAOYSA-N 0 3 312.211 2.116 20 30 DEEDHN COc1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000051651047 624879242 /nfs/dbraw/zinc/87/92/42/624879242.db2.gz NIQIMDNGXCZDRH-HNNXBMFYSA-N 0 3 300.358 2.005 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001022754050 624893472 /nfs/dbraw/zinc/89/34/72/624893472.db2.gz DKAVLKCSDJOLDH-BETUJISGSA-N 0 3 306.793 2.224 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC34CC4)C2)c1 ZINC001022766947 624905128 /nfs/dbraw/zinc/90/51/28/624905128.db2.gz LCBIAPVDJVHHOY-QLFBSQMISA-N 0 3 313.376 2.234 20 30 DEEDHN CC1CC(C(=O)N[C@H]2C[C@H](NCc3cc(C#N)ccc3F)C2)C1 ZINC001020061598 625029166 /nfs/dbraw/zinc/02/91/66/625029166.db2.gz IRQXCFRKJUDEMT-LTGIFMSQSA-N 0 3 315.392 2.480 20 30 DEEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001024742649 625029184 /nfs/dbraw/zinc/02/91/84/625029184.db2.gz PSOYPNGUMUPCPA-HNNXBMFYSA-N 0 3 317.433 2.234 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001022859815 625035785 /nfs/dbraw/zinc/03/57/85/625035785.db2.gz IFSQNQVEEKUXSB-WQAKAFBOSA-N 0 3 310.829 2.119 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001024760885 625040859 /nfs/dbraw/zinc/04/08/59/625040859.db2.gz YKDQWCTVMFDLCX-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001024765626 625046959 /nfs/dbraw/zinc/04/69/59/625046959.db2.gz HDMNMEGNJZXNRU-HNNXBMFYSA-N 0 3 324.428 2.181 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COc2ccccc2Cl)C1 ZINC001027677580 634430763 /nfs/dbraw/zinc/43/07/63/634430763.db2.gz WIMQCBGOSSSPCY-AWEZNQCLSA-N 0 3 320.820 2.275 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001020241503 625055597 /nfs/dbraw/zinc/05/55/97/625055597.db2.gz NOOBVNQTEKATIY-HAQNSBGRSA-N 0 3 316.792 2.233 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccccc3C)[C@@H]2C1 ZINC000978837420 634436290 /nfs/dbraw/zinc/43/62/90/634436290.db2.gz GZTMQCMMJQISFZ-LJDSDSDDSA-N 0 3 322.452 2.416 20 30 DEEDHN CC1(C)CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)OC1 ZINC000892550369 625140323 /nfs/dbraw/zinc/14/03/23/625140323.db2.gz HNMDLBNZGJSHIB-CHWSQXEVSA-N 0 3 315.373 2.324 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001023139853 625167296 /nfs/dbraw/zinc/16/72/96/625167296.db2.gz DOWFSIOCWQRNBC-BETUJISGSA-N 0 3 318.808 2.095 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)C[C@H]1C ZINC000947543138 625171393 /nfs/dbraw/zinc/17/13/93/625171393.db2.gz PZFBSBLOWCRTJU-VXGBXAGGSA-N 0 3 305.447 2.401 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC000972526917 625183890 /nfs/dbraw/zinc/18/38/90/625183890.db2.gz MGIDDZSTLITLPF-KZNAEPCWSA-N 0 3 314.429 2.278 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001025069294 625192446 /nfs/dbraw/zinc/19/24/46/625192446.db2.gz HGPJETXTHGIWJT-AEFFLSMTSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001025070474 625193502 /nfs/dbraw/zinc/19/35/02/625193502.db2.gz ZONSGHMFZOAVEZ-FUHWJXTLSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ncc(C)cc2OC)C1 ZINC000998912808 634441227 /nfs/dbraw/zinc/44/12/27/634441227.db2.gz CGWYOGOEVDRZHH-UHFFFAOYSA-N 0 3 323.824 2.344 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000972557822 625243048 /nfs/dbraw/zinc/24/30/48/625243048.db2.gz IQMRXMRAHBDRGF-INIZCTEOSA-N 0 3 314.433 2.014 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001023406259 625255418 /nfs/dbraw/zinc/25/54/18/625255418.db2.gz FCUHMSNOAZZYSM-LBPRGKRZSA-N 0 3 307.344 2.094 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cnc(C)cn1 ZINC001025194867 625255857 /nfs/dbraw/zinc/25/58/57/625255857.db2.gz HDNHKAYDFHWHRE-DLBZAZTESA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(Cl)ccc3C)[C@@H]2C1 ZINC000978879398 634446050 /nfs/dbraw/zinc/44/60/50/634446050.db2.gz ONGUYERRAYXLLI-PHZGNYQRSA-N 0 3 302.805 2.189 20 30 DEEDHN Cc1[nH]ccc1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026767035 625749530 /nfs/dbraw/zinc/74/95/30/625749530.db2.gz RHLFLLNXWUHXAB-HNNXBMFYSA-N 0 3 322.412 2.447 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001024446796 625770759 /nfs/dbraw/zinc/77/07/59/625770759.db2.gz JMOMXTVVZFLRMT-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001024438758 625776677 /nfs/dbraw/zinc/77/66/77/625776677.db2.gz WEDRBHSNSQRFNS-LSDHHAIUSA-N 0 3 316.449 2.376 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)[C@H]2Cc3ccccc3[C@H]21 ZINC001025838017 625793781 /nfs/dbraw/zinc/79/37/81/625793781.db2.gz NKNKLGRWYBFLED-CKAYJIMUSA-N 0 3 308.425 2.195 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001024536069 625853351 /nfs/dbraw/zinc/85/33/51/625853351.db2.gz HBDNRLRRLLXEAM-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001019976657 625856792 /nfs/dbraw/zinc/85/67/92/625856792.db2.gz RNAOFINRYCXFKE-AVGNSLFASA-N 0 3 313.239 2.488 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C[C@H]1C ZINC000947304611 625881994 /nfs/dbraw/zinc/88/19/94/625881994.db2.gz IGDZOEPLFBWLMW-HUUCEWRRSA-N 0 3 316.449 2.150 20 30 DEEDHN COc1ccc2c(c1)CC[C@H](C(=O)C(C#N)C(=O)NC(C)C)C2 ZINC000892500964 625912363 /nfs/dbraw/zinc/91/23/63/625912363.db2.gz ILYGCCZPSAEUNJ-GOEBONIOSA-N 0 3 314.385 2.034 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCC(OC)CC1 ZINC001024625163 625939210 /nfs/dbraw/zinc/93/92/10/625939210.db2.gz JNGMIYHGGDASJR-CGZBRXJRSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001024625318 625941757 /nfs/dbraw/zinc/94/17/57/625941757.db2.gz LSBMJKAZTUKISH-MRXNPFEDSA-N 0 3 315.417 2.006 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(F)cc3C)[C@@H]2C1 ZINC000979006469 634476151 /nfs/dbraw/zinc/47/61/51/634476151.db2.gz QCOXPSRMXIQYMN-OSYLJGHBSA-N 0 3 300.377 2.065 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC000999129028 634483351 /nfs/dbraw/zinc/48/33/51/634483351.db2.gz OVBKVZORFGPSAS-KRWDZBQOSA-N 0 3 318.367 2.459 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccn3ccnc3c2)C1 ZINC000999110252 634486224 /nfs/dbraw/zinc/48/62/24/634486224.db2.gz GUMMMTNXRFRRCD-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2onc3c2CCCC3)C1 ZINC000999118582 634488988 /nfs/dbraw/zinc/48/89/88/634488988.db2.gz QFDROOSSFAKYIH-UHFFFAOYSA-N 0 3 323.824 2.499 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3csc4c3CCCC4)[C@@H]2C1 ZINC000979048359 634490490 /nfs/dbraw/zinc/49/04/90/634490490.db2.gz USHHIWTWGICXPI-QKDCVEJESA-N 0 3 314.454 2.168 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCC[C@H](NCc2cccnc2)C1 ZINC000999357514 634565297 /nfs/dbraw/zinc/56/52/97/634565297.db2.gz GAKFLQFXGVLMLQ-KRWDZBQOSA-N 0 3 324.428 2.464 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCc3conc3C)C2)C1 ZINC000999357423 634565488 /nfs/dbraw/zinc/56/54/88/634565488.db2.gz DHVFSHBELPNDMO-UHFFFAOYSA-N 0 3 303.406 2.418 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2nc(CC)oc2C)C1 ZINC000999535597 634621462 /nfs/dbraw/zinc/62/14/62/634621462.db2.gz IIGGCZKBYLLGKE-UHFFFAOYSA-N 0 3 311.813 2.491 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC000999611368 634645708 /nfs/dbraw/zinc/64/57/08/634645708.db2.gz BTJZGRBZTOCLRU-PIMMBPRGSA-N 0 3 300.830 2.135 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000979476787 634646287 /nfs/dbraw/zinc/64/62/87/634646287.db2.gz DXHGARJFFZBINK-JENIJYKNSA-N 0 3 314.404 2.414 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC000999876941 634698474 /nfs/dbraw/zinc/69/84/74/634698474.db2.gz QIECBKJPHGIEPR-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cnc(C)[nH]3)C[C@H]2C1 ZINC000979616653 634712744 /nfs/dbraw/zinc/71/27/44/634712744.db2.gz JWEHPJOMCKPVFW-IHRRRGAJSA-N 0 3 322.840 2.301 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccsn3)CC2)CC1 ZINC001000188435 634782824 /nfs/dbraw/zinc/78/28/24/634782824.db2.gz JYMUPCMNOMUWPZ-UHFFFAOYSA-N 0 3 303.431 2.141 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000836191655 650062260 /nfs/dbraw/zinc/06/22/60/650062260.db2.gz LNHNMAVHCGXJFL-HNNXBMFYSA-N 0 3 317.433 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)c1ccccc1 ZINC000836218616 650066365 /nfs/dbraw/zinc/06/63/65/650066365.db2.gz RLZSYGFZVDKMBJ-UHFFFAOYSA-N 0 3 301.434 2.219 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000836336239 650080623 /nfs/dbraw/zinc/08/06/23/650080623.db2.gz VVOSUHQTCQGNLY-CYBMUJFWSA-N 0 3 323.387 2.323 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](CC)c1ccccc1 ZINC000836487491 650097348 /nfs/dbraw/zinc/09/73/48/650097348.db2.gz FVQSEEFPAMDKMV-MRXNPFEDSA-N 0 3 301.434 2.435 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000836470593 650095288 /nfs/dbraw/zinc/09/52/88/650095288.db2.gz BQCQRQZIGDIFKD-GOSISDBHSA-N 0 3 313.445 2.435 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C(C)(C)C1 ZINC000974584864 633166689 /nfs/dbraw/zinc/16/66/89/633166689.db2.gz FEEKZBPLYDVMHP-CVEARBPZSA-N 0 3 320.477 2.432 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@@H](CNCc2nc3ccccc3o2)C1 ZINC001026835016 633173421 /nfs/dbraw/zinc/17/34/21/633173421.db2.gz OMBSBLOMSKKEKO-HNNXBMFYSA-N 0 3 323.396 2.179 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2CC(C)C)C(C)(C)C1 ZINC000974630135 633184273 /nfs/dbraw/zinc/18/42/73/633184273.db2.gz AZFXGXVXHVFEHV-MRXNPFEDSA-N 0 3 316.449 2.003 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H](NCc3cncn3C)C(C)(C)C2)C1 ZINC000996255396 633224350 /nfs/dbraw/zinc/22/43/50/633224350.db2.gz NVXIOFBCUBZETF-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2n[nH]c(CC)c2Cl)C(C)(C)C1 ZINC000974681342 633232514 /nfs/dbraw/zinc/23/25/14/633232514.db2.gz SYIOMEUHEQXNLO-LBPRGKRZSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnc(CCC)c2)C(C)(C)C1 ZINC000974709561 633254656 /nfs/dbraw/zinc/25/46/56/633254656.db2.gz IAOPQWHCFGDJIB-QGZVFWFLSA-N 0 3 313.445 2.498 20 30 DEEDHN Cc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733679191 633263817 /nfs/dbraw/zinc/26/38/17/633263817.db2.gz UZHGQTQTOKMZSY-JTQLQIEISA-N 0 3 316.748 2.343 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)nc2)C(C)(C)C1 ZINC000974792101 633302333 /nfs/dbraw/zinc/30/23/33/633302333.db2.gz STEWHHMKPDDCTR-AWEZNQCLSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2sc(C)nc2C)C(C)(C)C1 ZINC000974843690 633329346 /nfs/dbraw/zinc/32/93/46/633329346.db2.gz KXPJFXIKYLJPFO-HNNXBMFYSA-N 0 3 319.474 2.152 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001026992835 633338823 /nfs/dbraw/zinc/33/88/23/633338823.db2.gz TYDRVBVSCFQTMT-ZIAGYGMSSA-N 0 3 302.422 2.188 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3cnc(C)o3)C2)C1 ZINC001027050770 633377413 /nfs/dbraw/zinc/37/74/13/633377413.db2.gz KCEOSDBJBLRDNX-AWEZNQCLSA-N 0 3 303.406 2.277 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000975033046 633401237 /nfs/dbraw/zinc/40/12/37/633401237.db2.gz WZRIJFKQZVECST-UKRRQHHQSA-N 0 3 316.449 2.232 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001027132313 633452513 /nfs/dbraw/zinc/45/25/13/633452513.db2.gz KPSDFZZDFUJMEW-OAHLLOKOSA-N 0 3 323.396 2.332 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000124987687 633471831 /nfs/dbraw/zinc/47/18/31/633471831.db2.gz JJGQXQYOBTWYLI-ZFWWWQNUSA-N 0 3 302.374 2.042 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(CCC(C)C)c2C)C1 ZINC001015969937 633517460 /nfs/dbraw/zinc/51/74/60/633517460.db2.gz ZPQLKKCQVQVPLW-INIZCTEOSA-N 0 3 316.449 2.065 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c(C)noc2C)CC1 ZINC000996918150 633524143 /nfs/dbraw/zinc/52/41/43/633524143.db2.gz NDJRSGBTBGNDAR-GFCCVEGCSA-N 0 3 303.406 2.145 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2scnc2CC)CC1 ZINC000997126727 633613094 /nfs/dbraw/zinc/61/30/94/633613094.db2.gz ZLHSLXCLXZASDR-GFCCVEGCSA-N 0 3 305.447 2.169 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CC2CCC1CC2)C1CCN(C)CC1 ZINC000921547953 633667867 /nfs/dbraw/zinc/66/78/67/633667867.db2.gz SYQJPJAYTCSGOK-DQPZFDDXSA-N 0 3 303.450 2.304 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000997220146 633679058 /nfs/dbraw/zinc/67/90/58/633679058.db2.gz VLVKFOONVPKMFX-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2CCC(OC)CC2)CC1 ZINC000997283056 633696131 /nfs/dbraw/zinc/69/61/31/633696131.db2.gz NFNLXYZBNPSZQQ-FAEJEUNOSA-N 0 3 320.477 2.432 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CCN1C ZINC000921580060 633724716 /nfs/dbraw/zinc/72/47/16/633724716.db2.gz CIIZHVSDQLRSIR-FVQBIDKESA-N 0 3 300.406 2.423 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405468 633746881 /nfs/dbraw/zinc/74/68/81/633746881.db2.gz IJDBJZKSASRQEL-LJQANCHMSA-N 0 3 321.424 2.394 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2coc(CCC)n2)CC1 ZINC000997389785 633752529 /nfs/dbraw/zinc/75/25/29/633752529.db2.gz JHAHLXJNVYREIV-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2sccc2OC)CC1 ZINC000997398705 633753324 /nfs/dbraw/zinc/75/33/24/633753324.db2.gz FAFFFRXLTGRJAQ-GFCCVEGCSA-N 0 3 306.431 2.220 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001027422457 633761708 /nfs/dbraw/zinc/76/17/08/633761708.db2.gz HWAJHTIJEZZILO-ZBFHGGJFSA-N 0 3 318.392 2.149 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2COc3ccccc32)CC1 ZINC000997449171 633764676 /nfs/dbraw/zinc/76/46/76/633764676.db2.gz NIEKEYWDBBCYPP-RHSMWYFYSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)C1 ZINC001027452495 633810722 /nfs/dbraw/zinc/81/07/22/633810722.db2.gz POSPDVZSGKXOBK-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN CC[C@@H](F)CN1CCC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000997548849 633857669 /nfs/dbraw/zinc/85/76/69/633857669.db2.gz COMUPLGQEBPBIA-GXTWGEPZSA-N 0 3 320.412 2.465 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1 ZINC001027478982 633863029 /nfs/dbraw/zinc/86/30/29/633863029.db2.gz ZQUHOMLIMSKTHY-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001027479716 633863245 /nfs/dbraw/zinc/86/32/45/633863245.db2.gz OLFGXAXAUHYMNT-LBPRGKRZSA-N 0 3 320.824 2.110 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(CNCc2c(F)cccc2F)CC1 ZINC000997619746 633901497 /nfs/dbraw/zinc/90/14/97/633901497.db2.gz YLEOYWXNJNNYJQ-GFCCVEGCSA-N 0 3 321.371 2.453 20 30 DEEDHN CCc1nc(C)c(CNCC2CCN(C(=O)[C@@H](C)C#N)CC2)o1 ZINC000997624347 633902986 /nfs/dbraw/zinc/90/29/86/633902986.db2.gz NUZOPLDBTVMLMK-LBPRGKRZSA-N 0 3 318.421 2.033 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2c(C)noc2Cl)C(C)(C)C1 ZINC000977325361 633928699 /nfs/dbraw/zinc/92/86/99/633928699.db2.gz GPSNHGKIKOUGRQ-ZDUSSCGKSA-N 0 3 323.824 2.029 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3[nH]cnc32)C(C)(C)C1 ZINC000977378959 633954463 /nfs/dbraw/zinc/95/44/63/633954463.db2.gz NRKOTDDZQNUMDW-OAHLLOKOSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C(C)(C)C1 ZINC000977392390 633960977 /nfs/dbraw/zinc/96/09/77/633960977.db2.gz UVSFMURQRDZDRJ-QGZVFWFLSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CN2CCC(C)CC2)C(C)(C)C1 ZINC000977379838 633961982 /nfs/dbraw/zinc/96/19/82/633961982.db2.gz QQOORFZKZSOJAC-INIZCTEOSA-N 0 3 307.482 2.121 20 30 DEEDHN N#Cc1ccccc1CNCC1CCN(C(=O)C#CC2CC2)CC1 ZINC000997764908 633965961 /nfs/dbraw/zinc/96/59/61/633965961.db2.gz VHBSVBQLNCZFPF-UHFFFAOYSA-N 0 3 321.424 2.300 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001027516360 633966841 /nfs/dbraw/zinc/96/68/41/633966841.db2.gz DHMLVHNJEDHTBG-HNNXBMFYSA-N 0 3 313.376 2.477 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)cn2)C(C)(C)C1 ZINC000977492745 634009071 /nfs/dbraw/zinc/00/90/71/634009071.db2.gz ISOMIAZURYNCSV-CQSZACIVSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(F)cc2F)CC1 ZINC000997848454 634010561 /nfs/dbraw/zinc/01/05/61/634010561.db2.gz BFORVEBUAISLSH-LBPRGKRZSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccccc2OC)C(C)(C)C1 ZINC000977546115 634040949 /nfs/dbraw/zinc/04/09/49/634040949.db2.gz BMXFFCQONFEJTD-MRXNPFEDSA-N 0 3 302.418 2.250 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCCOC2)CC1 ZINC000997953485 634076338 /nfs/dbraw/zinc/07/63/38/634076338.db2.gz HCLAMJBZROLSCT-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000948638531 634079218 /nfs/dbraw/zinc/07/92/18/634079218.db2.gz CRZOHWRGQCVWHT-ZACQAIPSSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000998135679 634151647 /nfs/dbraw/zinc/15/16/47/634151647.db2.gz KHSRLJDGNODGSV-MLHJIOFPSA-N 0 3 318.461 2.280 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccn(CC)n2)CC1 ZINC000998140561 634152728 /nfs/dbraw/zinc/15/27/28/634152728.db2.gz 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ZINC000978035632 634198450 /nfs/dbraw/zinc/19/84/50/634198450.db2.gz YRGURUAKLVEFNG-LDLYASANSA-N 0 3 321.424 2.463 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2nocc2C)CC[C@@H]1C(F)(F)F ZINC000998310136 634205155 /nfs/dbraw/zinc/20/51/55/634205155.db2.gz GCACMLYREADMMD-WDEREUQCSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]cc2C)CC[C@H]1C(F)(F)F ZINC000998310819 634206802 /nfs/dbraw/zinc/20/68/02/634206802.db2.gz HYEPYFQDADZOGJ-CHWSQXEVSA-N 0 3 315.339 2.492 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(F)F)c3F)[C@@H]2C1 ZINC000978142568 634220497 /nfs/dbraw/zinc/22/04/97/634220497.db2.gz KWEPIMLUDBJBEE-ZSOGYDGISA-N 0 3 322.330 2.304 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 ZINC001027594851 634239280 /nfs/dbraw/zinc/23/92/80/634239280.db2.gz PYNJUSWCGCIJGJ-KRWDZBQOSA-N 0 3 307.397 2.404 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4oc(C)nc4c3)[C@@H]2C1 ZINC000978335059 634284291 /nfs/dbraw/zinc/28/42/91/634284291.db2.gz ORVLIMPAGHPZPT-PHZGNYQRSA-N 0 3 323.396 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/nfs/dbraw/zinc/26/18/36/635261836.db2.gz KRMDZHXOYQQGCU-LBPRGKRZSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022004 635267419 /nfs/dbraw/zinc/26/74/19/635267419.db2.gz DUHSWDKMSRWHLJ-YESZJQIVSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC001000768474 635290459 /nfs/dbraw/zinc/29/04/59/635290459.db2.gz YYFAIKAZTSTIMM-UHFFFAOYSA-N 0 3 308.813 2.173 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(C(F)(F)F)no2)CC1 ZINC001000802640 635305163 /nfs/dbraw/zinc/30/51/63/635305163.db2.gz XXCWNLGBPAOBBL-UHFFFAOYSA-N 0 3 315.295 2.241 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC001000784829 635309888 /nfs/dbraw/zinc/30/98/88/635309888.db2.gz LAHJNSVGGCVCPO-UHFFFAOYSA-N 0 3 308.813 2.173 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC001000940799 635342827 /nfs/dbraw/zinc/34/28/27/635342827.db2.gz WQSWZERAVZVCLQ-UHFFFAOYSA-N 0 3 310.401 2.419 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2conc2C(F)(F)F)CC1 ZINC001000943760 635344101 /nfs/dbraw/zinc/34/41/01/635344101.db2.gz FANVFNKQEPLZME-UHFFFAOYSA-N 0 3 315.295 2.241 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001028051032 635375147 /nfs/dbraw/zinc/37/51/47/635375147.db2.gz FOPVACCJIYREKO-QGZVFWFLSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2c(Cl)cnn2CC)CC1 ZINC000981236184 635390846 /nfs/dbraw/zinc/39/08/46/635390846.db2.gz AYCKPLIZSBFTSC-UHFFFAOYSA-N 0 3 310.829 2.280 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN(C[C@@H](C)OC)CC1 ZINC000981242542 635398775 /nfs/dbraw/zinc/39/87/75/635398775.db2.gz LYHXMYGIOLPFGQ-GFCCVEGCSA-N 0 3 302.846 2.334 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC001001080730 635401553 /nfs/dbraw/zinc/40/15/53/635401553.db2.gz PEYNJFQXLOVZPA-CJNGLKHVSA-N 0 3 314.433 2.010 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccn3cc(C)nc3c2)CC1 ZINC001001152901 635419289 /nfs/dbraw/zinc/41/92/89/635419289.db2.gz SZIHZTVPBSSPGJ-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc(C)nc2C(C)C)CC1 ZINC001001231989 635435368 /nfs/dbraw/zinc/43/53/68/635435368.db2.gz KUIFKYCXIAQWEB-UHFFFAOYSA-N 0 3 314.433 2.456 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnn(CC(C)C)c2)CC1 ZINC001001308791 635458095 /nfs/dbraw/zinc/45/80/95/635458095.db2.gz XNUMBLIGUPNRCI-UHFFFAOYSA-N 0 3 302.422 2.087 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Cc3c(cccc3C)O2)CC1 ZINC001001373751 635481231 /nfs/dbraw/zinc/48/12/31/635481231.db2.gz KAAASNRBFPQBOE-SFHVURJKSA-N 0 3 312.413 2.233 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001001417351 635492155 /nfs/dbraw/zinc/49/21/55/635492155.db2.gz AVWDFIYUMMCMEX-ZWKOTPCHSA-N 0 3 311.429 2.037 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC001001495938 635511474 /nfs/dbraw/zinc/51/14/74/635511474.db2.gz AQYMSFPWYAFGMZ-RDTXWAMCSA-N 0 3 312.413 2.485 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c(C)noc2C(C)C)CC1 ZINC001001501090 635513006 /nfs/dbraw/zinc/51/30/06/635513006.db2.gz NZRZEYLHEOMCRE-UHFFFAOYSA-N 0 3 303.406 2.181 20 30 DEEDHN CC(=O)N1CC2(C1)CCCN(Cc1ccc(OCC#N)cc1)C2 ZINC000981558901 635526700 /nfs/dbraw/zinc/52/67/00/635526700.db2.gz BCQYCKYVOPJZSH-UHFFFAOYSA-N 0 3 313.401 2.033 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(OC)cc2F)CC1 ZINC001001598471 635530077 /nfs/dbraw/zinc/53/00/77/635530077.db2.gz ZQMYBRCNUUKRMF-UHFFFAOYSA-N 0 3 318.392 2.299 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC001001659574 635538211 /nfs/dbraw/zinc/53/82/11/635538211.db2.gz WZEGZCOVVJZACW-AZUAARDMSA-N 0 3 310.441 2.426 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028105345 635547495 /nfs/dbraw/zinc/54/74/95/635547495.db2.gz SVHIJISGWKITJG-MRXNPFEDSA-N 0 3 309.413 2.396 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CC(C)(C)C1)CCO2 ZINC000949090147 635552839 /nfs/dbraw/zinc/55/28/39/635552839.db2.gz XKUNFJKSHWUHPB-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc(OC)c2C)CC1 ZINC001001888920 635569788 /nfs/dbraw/zinc/56/97/88/635569788.db2.gz YDXTZMFAWKKBDV-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccn(C(CC)CC)n2)CC1 ZINC001001912154 635574104 /nfs/dbraw/zinc/57/41/04/635574104.db2.gz UECHUULEWFFKNS-UHFFFAOYSA-N 0 3 316.449 2.319 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccccc2N(C)C)CC1 ZINC001002169479 635632469 /nfs/dbraw/zinc/63/24/69/635632469.db2.gz ADURKDVAGMZDHI-UHFFFAOYSA-N 0 3 313.445 2.218 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001028135577 635683403 /nfs/dbraw/zinc/68/34/03/635683403.db2.gz VAUVDRZSASZLMU-SFHVURJKSA-N 0 3 311.429 2.443 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000981841716 635687998 /nfs/dbraw/zinc/68/79/98/635687998.db2.gz PQCNXSYIKZJSDD-UHFFFAOYSA-N 0 3 306.356 2.065 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001028205131 635823606 /nfs/dbraw/zinc/82/36/06/635823606.db2.gz HQZJKMMXUBAENG-CZUORRHYSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H](C)[C@H]3CCCO3)C2)C1 ZINC000982130999 635885100 /nfs/dbraw/zinc/88/51/00/635885100.db2.gz NLEGNYNRUKXKDI-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CN(C)c3ccccc3)C2)C1 ZINC000982169112 635895039 /nfs/dbraw/zinc/89/50/39/635895039.db2.gz OVLAFLZCNFOIMZ-UHFFFAOYSA-N 0 3 313.445 2.233 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)C1 ZINC000982169664 635895289 /nfs/dbraw/zinc/89/52/89/635895289.db2.gz NCNKYLJLUHOACS-MRXNPFEDSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC000982266243 635931505 /nfs/dbraw/zinc/93/15/05/635931505.db2.gz FPDVUOOOCCOAAV-GOSISDBHSA-N 0 3 314.429 2.491 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cn2)C[C@@H]1C ZINC000947953438 635935111 /nfs/dbraw/zinc/93/51/11/635935111.db2.gz OCWHJRKTQUXQJK-GXTWGEPZSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(C)nn(CCC)c1C ZINC001028249478 635957991 /nfs/dbraw/zinc/95/79/91/635957991.db2.gz BMJSDBHHZAIFJA-MRXNPFEDSA-N 0 3 316.449 2.127 20 30 DEEDHN Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCc1csc(C#N)c1 ZINC000922226649 636013047 /nfs/dbraw/zinc/01/30/47/636013047.db2.gz MFECTQKRTSESMS-CABCVRRESA-N 0 3 302.403 2.282 20 30 DEEDHN C#CCCN1CCC(NC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001003756676 636049002 /nfs/dbraw/zinc/04/90/02/636049002.db2.gz IFDHXPURRDFSHC-ZDUSSCGKSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ncccc1OC(C)C ZINC001028292529 636101561 /nfs/dbraw/zinc/10/15/61/636101561.db2.gz RHJWCGLYEPQORM-HNNXBMFYSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001028294439 636114327 /nfs/dbraw/zinc/11/43/27/636114327.db2.gz CJAJKEDXLTYYFL-ROUUACIJSA-N 0 3 314.429 2.285 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001028307774 636123224 /nfs/dbraw/zinc/12/32/24/636123224.db2.gz OTSWGDAVUCLGDH-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028463887 636224333 /nfs/dbraw/zinc/22/43/33/636224333.db2.gz HXBNLNJZZRWUDF-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3ccn(C)c3CC)C[C@]2(C)C1 ZINC000982557529 636264850 /nfs/dbraw/zinc/26/48/50/636264850.db2.gz PRDKABSRZYURDW-KDURUIRLSA-N 0 3 313.445 2.005 20 30 DEEDHN COCCN1CCC[C@H]1CNC(=O)c1c(C)cc(C#N)cc1C ZINC000894160139 636326048 /nfs/dbraw/zinc/32/60/48/636326048.db2.gz ZRKGCLLFXZQFER-INIZCTEOSA-N 0 3 315.417 2.016 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001028538127 636330546 /nfs/dbraw/zinc/33/05/46/636330546.db2.gz CTMHZQXOPQFJLI-AWEZNQCLSA-N 0 3 303.406 2.181 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CCn3cccc3)C[C@]2(C)C1 ZINC000982670311 636362397 /nfs/dbraw/zinc/36/23/97/636362397.db2.gz FMHKUORJTWYRMK-KDURUIRLSA-N 0 3 313.445 2.072 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001028593210 636454081 /nfs/dbraw/zinc/45/40/81/636454081.db2.gz HXQKXNINQXZEQJ-LSDHHAIUSA-N 0 3 307.413 2.474 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C[C@H]1C ZINC000947783153 636465395 /nfs/dbraw/zinc/46/53/95/636465395.db2.gz MPDZPBWSIAAYHI-IUODEOHRSA-N 0 3 300.406 2.123 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C[C@H]1C ZINC000947783152 636465432 /nfs/dbraw/zinc/46/54/32/636465432.db2.gz MPDZPBWSIAAYHI-DOMZBBRYSA-N 0 3 300.406 2.123 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc3ccc(C)nc32)C1 ZINC001028621213 636507320 /nfs/dbraw/zinc/50/73/20/636507320.db2.gz MJDNSXZIKPOIJX-HNNXBMFYSA-N 0 3 307.397 2.228 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001028646688 636544969 /nfs/dbraw/zinc/54/49/69/636544969.db2.gz ZQTPTYJLVMTDSQ-GOEBONIOSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc3cccnc32)C1 ZINC001028660268 636570846 /nfs/dbraw/zinc/57/08/46/636570846.db2.gz TXUZPHVAJATKMJ-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2nc(Cl)sc2C)C1 ZINC001028680693 636619178 /nfs/dbraw/zinc/61/91/78/636619178.db2.gz HOCODDBBMDYVBL-NSHDSACASA-N 0 3 311.838 2.180 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2c(Cl)cnn2C)CC1 ZINC001005392834 636729967 /nfs/dbraw/zinc/72/99/67/636729967.db2.gz IJUAOZFAOUOKEL-UHFFFAOYSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccn(CC(C)C)n2)CC1 ZINC001005456814 636743794 /nfs/dbraw/zinc/74/37/94/636743794.db2.gz KXOFPDQMCZRAQB-UHFFFAOYSA-N 0 3 304.438 2.262 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001028834048 636771924 /nfs/dbraw/zinc/77/19/24/636771924.db2.gz ZKDBTHOWGMBIID-QGZVFWFLSA-N 0 3 323.440 2.138 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001028889810 636817286 /nfs/dbraw/zinc/81/72/86/636817286.db2.gz HOXFHXMGXGJKBD-MRXNPFEDSA-N 0 3 319.408 2.434 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001028902421 636832368 /nfs/dbraw/zinc/83/23/68/636832368.db2.gz UXSDDYRLMNVCFG-OAHLLOKOSA-N 0 3 323.396 2.417 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCN1C ZINC000922923165 636857075 /nfs/dbraw/zinc/85/70/75/636857075.db2.gz BDPGNBLUGHMOJK-JLZZUVOBSA-N 0 3 312.417 2.327 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001028973345 636914473 /nfs/dbraw/zinc/91/44/73/636914473.db2.gz 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CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CSCCS1 ZINC000152186136 639528210 /nfs/dbraw/zinc/52/82/10/639528210.db2.gz KVSNSDDWPZNZDO-VXGBXAGGSA-N 0 3 314.476 2.240 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCC(N(C)CCF)CC2)cc1 ZINC000985687929 639583139 /nfs/dbraw/zinc/58/31/39/639583139.db2.gz CXNQVTZWWJRWCS-UHFFFAOYSA-N 0 3 318.392 2.205 20 30 DEEDHN CC(=O)CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000755854565 639596123 /nfs/dbraw/zinc/59/61/23/639596123.db2.gz ZXRVLRHMKYMBSE-CQSZACIVSA-N 0 3 320.776 2.424 20 30 DEEDHN CC(C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@H]1C ZINC000985992009 639717364 /nfs/dbraw/zinc/71/73/64/639717364.db2.gz BEHLWPKZCPSSDU-MLGOLLRUSA-N 0 3 303.381 2.432 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C#CC1CC1 ZINC000986278876 639877703 /nfs/dbraw/zinc/87/77/03/639877703.db2.gz LQTZGOBORJROTN-LRDDRELGSA-N 0 3 313.426 2.112 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H](NCc2ccccn2)[C@@H]1C ZINC000986367992 639891217 /nfs/dbraw/zinc/89/12/17/639891217.db2.gz ZGYYMKXQPPBNIX-RDJZCZTQSA-N 0 3 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C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC000989621240 641171930 /nfs/dbraw/zinc/17/19/30/641171930.db2.gz GWMMHDQLYAKICI-BBRMVZONSA-N 0 3 312.413 2.398 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn3c(cccc3C)n2)CC1 ZINC000989630364 641176586 /nfs/dbraw/zinc/17/65/86/641176586.db2.gz ZORWUEYRIIDDEY-UHFFFAOYSA-N 0 3 312.417 2.367 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)COc2c(C)cc(C)cc2C)C1 ZINC000989752407 641222021 /nfs/dbraw/zinc/22/20/21/641222021.db2.gz MKBPNPVAXJFJBW-DLBZAZTESA-N 0 3 314.429 2.203 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000989776839 641226553 /nfs/dbraw/zinc/22/65/53/641226553.db2.gz XKEBJIQZSAHQNX-YPMHNXCESA-N 0 3 306.793 2.174 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc(CC(C)C)s2)C1 ZINC000989847160 641253540 /nfs/dbraw/zinc/25/35/40/641253540.db2.gz FSIGTVKVDRTOGX-QWHCGFSZSA-N 0 3 305.447 2.167 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)c2ccccn2)CC1 ZINC000989852416 641256527 /nfs/dbraw/zinc/25/65/27/641256527.db2.gz 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C=CCN1CCN(CN(CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1=O ZINC000840008272 645672923 /nfs/dbraw/zinc/67/29/23/645672923.db2.gz KUTLFSMYTGGETD-BZUAXINKSA-N 0 3 321.465 2.393 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000911916489 645869337 /nfs/dbraw/zinc/86/93/37/645869337.db2.gz YLOAPZINJSEEOW-LBPRGKRZSA-N 0 3 308.378 2.335 20 30 DEEDHN C=C[C@H](CC(=O)N(CCO)C1CCN(C)CC1)c1ccccc1 ZINC000911941191 645888315 /nfs/dbraw/zinc/88/83/15/645888315.db2.gz HMVSDWFFGZMMGD-MRXNPFEDSA-N 0 3 316.445 2.261 20 30 DEEDHN C#CCOc1ccc(C(=O)N(CCC)[C@@H]2CCN(C)C2)cc1 ZINC000843987376 651058654 /nfs/dbraw/zinc/05/86/54/651058654.db2.gz DTQCUDGBSILMJR-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000807402242 645946522 /nfs/dbraw/zinc/94/65/22/645946522.db2.gz DOEAEZKNFDFDIN-SJLPKXTDSA-N 0 3 311.429 2.346 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000912099479 645955042 /nfs/dbraw/zinc/95/50/42/645955042.db2.gz 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CC#CCN1CC[C@@]2(NC(=O)c3cncc4[nH]ccc43)CCC[C@@H]12 ZINC000991597894 646530101 /nfs/dbraw/zinc/53/01/01/646530101.db2.gz RNVIBYMZGLUAIO-MJGOQNOKSA-N 0 3 322.412 2.313 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccn4cncc4c3)CCC[C@H]12 ZINC000991621218 646548334 /nfs/dbraw/zinc/54/83/34/646548334.db2.gz HJCFKMLALZHUHP-HKUYNNGSSA-N 0 3 322.412 2.084 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C[C@@H]1C ZINC000947767854 646587575 /nfs/dbraw/zinc/58/75/75/646587575.db2.gz SHOWQEGSJAPPAC-WMLDXEAASA-N 0 3 314.404 2.460 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C(F)F)nn3C)CCC[C@@H]12 ZINC000991822184 646642463 /nfs/dbraw/zinc/64/24/63/646642463.db2.gz WXQLRZBZPMPPGY-CJNGLKHVSA-N 0 3 324.375 2.271 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)CCC[C@@H]12 ZINC000991823420 646643192 /nfs/dbraw/zinc/64/31/92/646643192.db2.gz ZRJSOKXQFRJBPT-FAJBIJEISA-N 0 3 318.461 2.348 20 30 DEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812899747 646712249 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C#CCN(C)CCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000815082861 646964998 /nfs/dbraw/zinc/96/49/98/646964998.db2.gz HWQWRFGOJKPTRB-UHFFFAOYSA-N 0 3 322.474 2.154 20 30 DEEDHN CN1C(=O)C[C@@H](NCCOCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000815102877 646969330 /nfs/dbraw/zinc/96/93/30/646969330.db2.gz TUEWDIOMLIGRIV-ZBFHGGJFSA-N 0 3 321.808 2.132 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3c[nH]c4ccccc34)CCC[C@H]12 ZINC000992430340 646999149 /nfs/dbraw/zinc/99/91/49/646999149.db2.gz ZATDEFHSTWVICJ-ICSRJNTNSA-N 0 3 321.424 2.457 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccc4c(c3)CCC4)CCC[C@H]12 ZINC000992488995 647063550 /nfs/dbraw/zinc/06/35/50/647063550.db2.gz FVTJOHOKGUYEFV-PZJWPPBQSA-N 0 3 322.452 2.464 20 30 DEEDHN CN(C)[C@@H](CNC(=O)N1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000913888382 647083493 /nfs/dbraw/zinc/08/34/93/647083493.db2.gz BXWRQVJVWTUVPK-IAGOWNOFSA-N 0 3 314.433 2.104 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000152284040 647133755 /nfs/dbraw/zinc/13/37/55/647133755.db2.gz 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CC#CCN1CC[C@H](NC(=O)c2ncc(Cl)s2)[C@H](C)C1 ZINC000942487491 649228049 /nfs/dbraw/zinc/22/80/49/649228049.db2.gz VGLMVEYUCYORJN-MNOVXSKESA-N 0 3 311.838 2.260 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H](C)C1 ZINC000942535140 649237333 /nfs/dbraw/zinc/23/73/33/649237333.db2.gz DBXIWQZRPRORIQ-ZIAGYGMSSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2OC)[C@@H](C)C1 ZINC000942546415 649241676 /nfs/dbraw/zinc/24/16/76/649241676.db2.gz UIDQRCQXZDNJBM-XJKSGUPXSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@@H](C)C1 ZINC000942582218 649253840 /nfs/dbraw/zinc/25/38/40/649253840.db2.gz VFDPDTMLFBCUST-WFASDCNBSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)C2CCC2)C1 ZINC000995262729 649271763 /nfs/dbraw/zinc/27/17/63/649271763.db2.gz XUFMXKDSFIUVFZ-QGZVFWFLSA-N 0 3 311.429 2.165 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc(OCC)c2)[C@H](C)C1 ZINC000942701626 649276770 /nfs/dbraw/zinc/27/67/70/649276770.db2.gz 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DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OCC)cc2)[C@H](C)C1 ZINC000944531929 649530360 /nfs/dbraw/zinc/53/03/60/649530360.db2.gz KQLLQRHKPXMZIM-PBHICJAKSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OCC)cc2)[C@H](C)C1 ZINC000944531931 649530587 /nfs/dbraw/zinc/53/05/87/649530587.db2.gz KQLLQRHKPXMZIM-RHSMWYFYSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)[C@H](C)C1 ZINC000945005763 649597941 /nfs/dbraw/zinc/59/79/41/649597941.db2.gz FEXZYCZBHYCYQN-NVXWUHKLSA-N 0 3 309.413 2.101 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2Cl)[C@@H](C)C1 ZINC000945029312 649600526 /nfs/dbraw/zinc/60/05/26/649600526.db2.gz RNGIMXDCGRWOMH-AAEUAGOBSA-N 0 3 324.856 2.491 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)[C@H](C)C1 ZINC000945178136 649623967 /nfs/dbraw/zinc/62/39/67/649623967.db2.gz FEVVZSFBPSDHEZ-RMNLLRHXSA-N 0 3 314.351 2.179 20 30 DEEDHN N#Cc1ccc(F)c(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000834475985 649804166 /nfs/dbraw/zinc/80/41/66/649804166.db2.gz KMHJPXXYQKKZTL-CQSZACIVSA-N 0 3 301.365 2.444 20 30 DEEDHN COc1cc(C(=O)NCCN2CCCC(C)(C)C2)ccc1C#N ZINC000834555739 649813859 /nfs/dbraw/zinc/81/38/59/649813859.db2.gz HAGFZVVMSSOCCQ-UHFFFAOYSA-N 0 3 315.417 2.419 20 30 DEEDHN CCO[C@@H]1CN(CCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844408908 651124445 /nfs/dbraw/zinc/12/44/45/651124445.db2.gz KVHMDBAPQCJGNJ-ZIAGYGMSSA-N 0 3 311.426 2.152 20 30 DEEDHN C=C[C@H](C)ONC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000845617646 651261382 /nfs/dbraw/zinc/26/13/82/651261382.db2.gz GBOHDPPWAQTNTL-LZWOXQAQSA-N 0 3 303.406 2.455 20 30 DEEDHN CC([C@H](OC(=O)CSCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845872092 651290720 /nfs/dbraw/zinc/29/07/20/651290720.db2.gz BONQZOCJDMXMMM-ZANVPECISA-N 0 3 312.322 2.332 20 30 DEEDHN C#C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000847265855 651385423 /nfs/dbraw/zinc/38/54/23/651385423.db2.gz CVPKDFPCTLAFSF-WMZOPIPTSA-N 0 3 311.429 2.316 20 30 DEEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)[C@@H](N)CCCCC#N ZINC000848407616 651456803 /nfs/dbraw/zinc/45/68/03/651456803.db2.gz SDLMRGSYQHYDCS-UHOFOFEASA-N 0 3 321.396 2.165 20 30 DEEDHN N#CC1(c2ccc(CNC[C@@H]3CN(C4CC4)C(=O)O3)cc2)CC1 ZINC000850340513 651902951 /nfs/dbraw/zinc/90/29/51/651902951.db2.gz UNBUDANTHGGXHG-MRXNPFEDSA-N 0 3 311.385 2.315 20 30 DEEDHN C=C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000850572262 651954999 /nfs/dbraw/zinc/95/49/99/651954999.db2.gz JABPJXYDOACQRU-PSASIEDQSA-N 0 3 316.195 2.361 20 30 DEEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850761590 651983457 /nfs/dbraw/zinc/98/34/57/651983457.db2.gz PBMQYXOZUDWXOM-CYBMUJFWSA-N 0 3 320.320 2.260 20 30 DEEDHN CO[C@@H](C(=O)C(C#N)c1nnc2n1CCCCC2)C1CCCC1 ZINC000850782547 651989185 /nfs/dbraw/zinc/98/91/85/651989185.db2.gz NLXIVGWWHYKMOB-XJKSGUPXSA-N 0 3 316.405 2.386 20 30 DEEDHN C=CCN(C(=O)NC[C@H]1NCCc2ccccc21)[C@@H](C)COC ZINC000851667329 652202750 /nfs/dbraw/zinc/20/27/50/652202750.db2.gz NNXKNPQOOFZVDH-WMLDXEAASA-N 0 3 317.433 2.106 20 30 DEEDHN C#CCOCCN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000851855814 652260259 /nfs/dbraw/zinc/26/02/59/652260259.db2.gz AIPMQZAXIVWKHS-OAHLLOKOSA-N 0 3 318.417 2.230 20 30 DEEDHN CCCCCC[C@@](O)(CN1CCC(C)(C#N)CC1)C(=O)OC ZINC000851912833 652278698 /nfs/dbraw/zinc/27/86/98/652278698.db2.gz OMBCNQUPUFEWQN-QGZVFWFLSA-N 0 3 310.438 2.487 20 30 DEEDHN C#CCOCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000852045349 652323098 /nfs/dbraw/zinc/32/30/98/652323098.db2.gz KXSOQBZEVFOMTO-INIZCTEOSA-N 0 3 308.422 2.160 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2SCCS2)CC1 ZINC000852073692 652332499 /nfs/dbraw/zinc/33/24/99/652332499.db2.gz XKKVZGKJFPRQGU-UHFFFAOYSA-N 0 3 315.508 2.132 20 30 DEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000852100379 652339033 /nfs/dbraw/zinc/33/90/33/652339033.db2.gz WWHMRFGBGIFJON-YJBOKZPZSA-N 0 3 302.418 2.270 20 30 DEEDHN C=CC[C@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccncc1 ZINC000853747577 652598051 /nfs/dbraw/zinc/59/80/51/652598051.db2.gz UYOCYEPXISNORS-CVEARBPZSA-N 0 3 302.422 2.434 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000854068656 652637302 /nfs/dbraw/zinc/63/73/02/652637302.db2.gz DCLPORRVJVGHGP-INIZCTEOSA-N 0 3 305.397 2.311 20 30 DEEDHN COc1ccc(CN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)cc1Cl ZINC001394046748 1158201455 /nfs/dbraw/zinc/20/14/55/1158201455.db2.gz UMMKHALFSJCPHX-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)CN(C)CCC ZINC001356369176 1152077143 /nfs/dbraw/zinc/07/71/43/1152077143.db2.gz JLGOVBZXDRAWGZ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)c(C)c1 ZINC000381451390 685400816 /nfs/dbraw/zinc/40/08/16/685400816.db2.gz YHAICSYYOIKHPK-UHFFFAOYSA-N 0 3 323.234 2.442 20 30 DEEDHN C=CCCC(=O)N(CCC)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001356690259 1152112273 /nfs/dbraw/zinc/11/22/73/1152112273.db2.gz NBTYFYFDJQFCNY-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C#Cc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000118798689 684073694 /nfs/dbraw/zinc/07/36/94/684073694.db2.gz XLJOIGRJEWJTNP-QGZVFWFLSA-N 0 3 315.417 2.242 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1ccc(C)cc1C ZINC000132521388 684209979 /nfs/dbraw/zinc/20/99/79/684209979.db2.gz WOAQIGFHKHUPCI-OAHLLOKOSA-N 0 3 314.385 2.474 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000133442171 684219651 /nfs/dbraw/zinc/21/96/51/684219651.db2.gz AACSJDBWQOJAIU-BXUZGUMPSA-N 0 3 302.374 2.206 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000133518499 684220488 /nfs/dbraw/zinc/22/04/88/684220488.db2.gz NXUXUWUOWKDTMK-TZMCWYRMSA-N 0 3 302.374 2.341 20 30 DEEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccncc1 ZINC000137221858 684244172 /nfs/dbraw/zinc/24/41/72/684244172.db2.gz OKKXWRVNMSMBAT-GXTWGEPZSA-N 0 3 308.341 2.318 20 30 DEEDHN CCCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000158394366 684298751 /nfs/dbraw/zinc/29/87/51/684298751.db2.gz MFGCPBOLVNLSAZ-AWEZNQCLSA-N 0 3 315.373 2.030 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CC(F)(F)C1)C2 ZINC001054114850 693850261 /nfs/dbraw/zinc/85/02/61/693850261.db2.gz MQXSZRLQSRVDIH-MRXNPFEDSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCOCC1)C2 ZINC001054124552 693854802 /nfs/dbraw/zinc/85/48/02/693854802.db2.gz UIPOFGPLJQJEDR-IEBWSBKVSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1conc1C(C)C)C2 ZINC001054144066 693860625 /nfs/dbraw/zinc/86/06/25/693860625.db2.gz POEJBHJWEACPRB-SFHVURJKSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC(C)(C)CO1)C2 ZINC001054163442 693867971 /nfs/dbraw/zinc/86/79/71/693867971.db2.gz JCNLVWNWXKMRJB-LPHOPBHVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C(F)F)CCC1)C2 ZINC001054183385 693874414 /nfs/dbraw/zinc/87/44/14/693874414.db2.gz GEHJVUYESHBAIZ-MRXNPFEDSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1nc(CC)oc1C)C2 ZINC001054212395 693884902 /nfs/dbraw/zinc/88/49/02/693884902.db2.gz GIPNGKABIXINDV-SFHVURJKSA-N 0 3 315.417 2.107 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1nc(C)oc1C)C2 ZINC001054219864 693888046 /nfs/dbraw/zinc/88/80/46/693888046.db2.gz YRVGFVWSVWFSDW-SFHVURJKSA-N 0 3 315.417 2.243 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]cc1C1CC1)C2 ZINC001054222029 693888858 /nfs/dbraw/zinc/88/88/58/693888858.db2.gz QOQSCRNBHSCMJK-LJQANCHMSA-N 0 3 311.429 2.453 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1csc(Cl)n1)C2 ZINC001054223125 693889107 /nfs/dbraw/zinc/88/91/07/693889107.db2.gz NZYUOSQNQLRHQD-OAHLLOKOSA-N 0 3 323.849 2.358 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)no1)C2 ZINC001054230652 693892700 /nfs/dbraw/zinc/89/27/00/693892700.db2.gz ZCYXKQIYMXJROI-INIZCTEOSA-N 0 3 321.808 2.279 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC001054237630 693895111 /nfs/dbraw/zinc/89/51/11/693895111.db2.gz ZLIDWFCYMSZIFT-LJQANCHMSA-N 0 3 314.404 2.316 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCCOC1)C2 ZINC001054241907 693897760 /nfs/dbraw/zinc/89/77/60/693897760.db2.gz AEKGHUIJRNSZIT-IEBWSBKVSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCc1ccc(C)o1)C2 ZINC001054243469 693897810 /nfs/dbraw/zinc/89/78/10/693897810.db2.gz IFLPTHNLRYQCRT-LJQANCHMSA-N 0 3 314.429 2.468 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)[C@@H]3CCOC3)cc2C1 ZINC001054258619 693904952 /nfs/dbraw/zinc/90/49/52/693904952.db2.gz VCYOGGDYLGOIRS-MRXNPFEDSA-N 0 3 300.402 2.231 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054313786 693925120 /nfs/dbraw/zinc/92/51/20/693925120.db2.gz MZCWDFCNSDDFHN-IAQYHMDHSA-N 0 3 303.431 2.356 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000245891457 685119636 /nfs/dbraw/zinc/11/96/36/685119636.db2.gz BVTUPJNGWVTZAX-MJBXVCDLSA-N 0 3 302.761 2.431 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000246580784 685132786 /nfs/dbraw/zinc/13/27/86/685132786.db2.gz OGGYDKHMLOAQGR-WXHSDQCUSA-N 0 3 304.296 2.056 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000929650234 693997372 /nfs/dbraw/zinc/99/73/72/693997372.db2.gz SBHNJOWNUALFIR-MRXNPFEDSA-N 0 3 312.417 2.165 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862428597 686300572 /nfs/dbraw/zinc/30/05/72/686300572.db2.gz RWANVUQJURCVNM-DZGCQCFKSA-N 0 3 301.390 2.030 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cncn2C)C1 ZINC001054675602 694021898 /nfs/dbraw/zinc/02/18/98/694021898.db2.gz AXMHPZIQWCYWHF-RISCZKNCSA-N 0 3 324.856 2.135 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCc3ccccn3)C2)cc1 ZINC001054961352 694082558 /nfs/dbraw/zinc/08/25/58/694082558.db2.gz HNXSAAGNLFHUAJ-DNVCBOLYSA-N 0 3 319.408 2.313 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCC[S@@](=O)C(C)(C)C ZINC000865466127 687222988 /nfs/dbraw/zinc/22/29/88/687222988.db2.gz BLLMITWMOXEEHF-OAQYLSRUSA-N 0 3 307.463 2.261 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H]1CC2(CO1)CCOCC2 ZINC000865781476 687332702 /nfs/dbraw/zinc/33/27/02/687332702.db2.gz NIGHPSXBKKWADX-QGZVFWFLSA-N 0 3 315.413 2.374 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001015770484 687416656 /nfs/dbraw/zinc/41/66/56/687416656.db2.gz QQYWCWJRNAQDNV-KRWDZBQOSA-N 0 3 311.429 2.443 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001015817643 687432425 /nfs/dbraw/zinc/43/24/25/687432425.db2.gz MRQABQBKSAYQGH-BPQIPLTHSA-N 0 3 312.413 2.013 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cccnc2OCC(C)C)C1 ZINC001016023418 687502329 /nfs/dbraw/zinc/50/23/29/687502329.db2.gz JUKJNKPXJOXNSJ-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001016343299 687596018 /nfs/dbraw/zinc/59/60/18/687596018.db2.gz IKDUYHIWNJJKPM-GDBMZVCRSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001016376361 687605422 /nfs/dbraw/zinc/60/54/22/687605422.db2.gz UJYXZTYUKCIQCX-IUODEOHRSA-N 0 3 302.805 2.194 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2sc(Cl)nc2C)CC1 ZINC001016645395 687672852 /nfs/dbraw/zinc/67/28/52/687672852.db2.gz JBIAOQAUDPWNFN-LLVKDONJSA-N 0 3 323.849 2.322 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccnn2C(C)C)CC1 ZINC001016644664 687673122 /nfs/dbraw/zinc/67/31/22/687673122.db2.gz FTWIYMIJHJTWPA-INIZCTEOSA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001016655461 687675751 /nfs/dbraw/zinc/67/57/51/687675751.db2.gz XYARZIJIHVZGNX-UONOGXRCSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3c(o2)CCCC3)CC1 ZINC001016655525 687675821 /nfs/dbraw/zinc/67/58/21/687675821.db2.gz RLBQMAZOEVYGCJ-QGZVFWFLSA-N 0 3 312.413 2.376 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001016746758 687694366 /nfs/dbraw/zinc/69/43/66/687694366.db2.gz JKUALKOQMKWUTM-NXOAAHMSSA-N 0 3 300.446 2.417 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(F)c(C)c2)CC1 ZINC001016797407 687705235 /nfs/dbraw/zinc/70/52/35/687705235.db2.gz AWCVRWRIQMVXLJ-MRXNPFEDSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001016867987 687722502 /nfs/dbraw/zinc/72/25/02/687722502.db2.gz OMZZNJPSYYRQFV-CZUORRHYSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2csc(Cl)n2)CC1 ZINC001016917895 687733015 /nfs/dbraw/zinc/73/30/15/687733015.db2.gz GYJPIDWYNHXENR-GFCCVEGCSA-N 0 3 323.849 2.404 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC001016943281 687739954 /nfs/dbraw/zinc/73/99/54/687739954.db2.gz LOHVDAYVCMCAOB-SFHVURJKSA-N 0 3 321.424 2.314 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cccc(OC)c2)CC1 ZINC001016945751 687740691 /nfs/dbraw/zinc/74/06/91/687740691.db2.gz CGJLLPXOVOUPRW-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3c(s2)CCC3)CC1 ZINC001016959402 687743089 /nfs/dbraw/zinc/74/30/89/687743089.db2.gz SVSAGDXWDNQLTL-MRXNPFEDSA-N 0 3 314.454 2.454 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC001016990648 687751467 /nfs/dbraw/zinc/75/14/67/687751467.db2.gz PGJIHVNLBBVMFS-AZUAARDMSA-N 0 3 322.452 2.494 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n[nH]1 ZINC001017369260 687875392 /nfs/dbraw/zinc/87/53/92/687875392.db2.gz JKDYYVIBLNYCMH-GASCZTMLSA-N 0 3 302.422 2.227 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CC ZINC001017504059 687903983 /nfs/dbraw/zinc/90/39/83/687903983.db2.gz KMGCVVNVENQDJC-GASCZTMLSA-N 0 3 302.422 2.158 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001017767355 687956925 /nfs/dbraw/zinc/95/69/25/687956925.db2.gz MBYYRUXFDKCJJV-OIISXLGYSA-N 0 3 316.449 2.165 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000868283705 687968569 /nfs/dbraw/zinc/96/85/69/687968569.db2.gz FEIPKFRWPRSDBS-RDJZCZTQSA-N 0 3 321.465 2.141 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC(OCC)C2 ZINC001017940918 688006739 /nfs/dbraw/zinc/00/67/39/688006739.db2.gz ZNPZFKOWCFLSNN-UIEBLEIFSA-N 0 3 318.461 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)noc1C ZINC001018261681 688096220 /nfs/dbraw/zinc/09/62/20/688096220.db2.gz IULWSKMQQSZTPV-IYBDPMFKSA-N 0 3 317.433 2.475 20 30 DEEDHN C/C=C(/C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC001018694373 688209290 /nfs/dbraw/zinc/20/92/90/688209290.db2.gz FCDRWFLOYMHSOX-BOCDPNTGSA-N 0 3 313.401 2.224 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001019157355 688291771 /nfs/dbraw/zinc/29/17/71/688291771.db2.gz HXDUDJQSYBNUML-SWLSCSKDSA-N 0 3 302.805 2.194 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccnc(N(C)C)c2)C1 ZINC001019238379 688305578 /nfs/dbraw/zinc/30/55/78/688305578.db2.gz YYMDGJHVGPOHHY-HNNXBMFYSA-N 0 3 316.449 2.050 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001019246188 688307503 /nfs/dbraw/zinc/30/75/03/688307503.db2.gz BCDKDRUAMGCBEW-UONOGXRCSA-N 0 3 307.344 2.136 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001019445288 688358440 /nfs/dbraw/zinc/35/84/40/688358440.db2.gz NHLAUPAVFFXHMH-CABCVRRESA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001019825543 688413561 /nfs/dbraw/zinc/41/35/61/688413561.db2.gz DIHICBAKFHOEEJ-HOTGVXAUSA-N 0 3 321.852 2.232 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001019984048 688434771 /nfs/dbraw/zinc/43/47/71/688434771.db2.gz SELJQACGEOFYSI-AVGNSLFASA-N 0 3 313.239 2.488 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)C3CC=CC3)C2)c1 ZINC001020041084 688447865 /nfs/dbraw/zinc/44/78/65/688447865.db2.gz NTGSTJCMTYLAAW-WKILWMFISA-N 0 3 313.376 2.400 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001020170177 688477981 /nfs/dbraw/zinc/47/79/81/688477981.db2.gz QDCSRVDDBXYTRD-AJNGGQMLSA-N 0 3 314.857 2.427 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001020277641 688493547 /nfs/dbraw/zinc/49/35/47/688493547.db2.gz PJFDMOJOQROWCI-OPRDCNLKSA-N 0 3 323.181 2.177 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000870144907 688497919 /nfs/dbraw/zinc/49/79/19/688497919.db2.gz IFYMJZFNGMEZAZ-RISCZKNCSA-N 0 3 318.348 2.268 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)nc3sccn32)C1 ZINC001020292679 688498489 /nfs/dbraw/zinc/49/84/89/688498489.db2.gz FRPWBZOHONSJAT-XYPYZODXSA-N 0 3 324.837 2.307 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)c3ccncc3)C2)c1 ZINC001028373264 688536975 /nfs/dbraw/zinc/53/69/75/688536975.db2.gz IZXIKOHNMRGADS-KRWDZBQOSA-N 0 3 320.396 2.205 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(OCC)c2)C1 ZINC001028836524 688545080 /nfs/dbraw/zinc/54/50/80/688545080.db2.gz XCCWPIMMGYQBKJ-OAHLLOKOSA-N 0 3 300.402 2.160 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CN(C)Cc3cnn(C)c3)C2)C1 ZINC001029834924 688582073 /nfs/dbraw/zinc/58/20/73/688582073.db2.gz ARULFYKPOQLAHE-OAHLLOKOSA-N 0 3 316.449 2.057 20 30 DEEDHN CO[C@H]1C[C@@H](CON=Cc2ccc(N3CCOCC3)cc2)C1 ZINC000871723628 688851246 /nfs/dbraw/zinc/85/12/46/688851246.db2.gz OSVXSDJOPRFJDO-WOVMCDHWSA-N 0 3 304.390 2.299 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872286545 688974950 /nfs/dbraw/zinc/97/49/50/688974950.db2.gz KNZABQOVFYYCHG-CVEARBPZSA-N 0 3 307.438 2.348 20 30 DEEDHN CNC(=O)[C@@H]1Cc2ccccc2CN1CC1CCC(C#N)CC1 ZINC000930816670 694248981 /nfs/dbraw/zinc/24/89/81/694248981.db2.gz QVVXRMTZBZYGDC-JMLCCBQJSA-N 0 3 311.429 2.489 20 30 DEEDHN CSc1nnc(SC)n1N=Cc1cnccc1N(C)C ZINC000872417581 688996055 /nfs/dbraw/zinc/99/60/55/688996055.db2.gz FYIPENKSKYZTPH-UHFFFAOYSA-N 0 3 308.436 2.065 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C1 ZINC001031924255 689021371 /nfs/dbraw/zinc/02/13/71/689021371.db2.gz HYAZECUGMVAEDZ-OLZOCXBDSA-N 0 3 302.340 2.036 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)cn1 ZINC001032138118 689069048 /nfs/dbraw/zinc/06/90/48/689069048.db2.gz LZWDHHVSAXKOOY-HNNXBMFYSA-N 0 3 319.408 2.486 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1CN(C)C ZINC001032430926 689149531 /nfs/dbraw/zinc/14/95/31/689149531.db2.gz IQWOMUWQEKPVSX-GJZGRUSLSA-N 0 3 319.474 2.285 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCOC2 ZINC001032515364 689173243 /nfs/dbraw/zinc/17/32/43/689173243.db2.gz VBYMYTUSMLWLDL-ROUUACIJSA-N 0 3 312.413 2.234 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001032673253 689220336 /nfs/dbraw/zinc/22/03/36/689220336.db2.gz GUQKPTDYQZRJTQ-QAETUUGQSA-N 0 3 304.434 2.219 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001032752437 689247757 /nfs/dbraw/zinc/24/77/57/689247757.db2.gz LWBVFJMWRZGJSW-JYJNAYRXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)noc1Cl ZINC001032811459 689268391 /nfs/dbraw/zinc/26/83/91/689268391.db2.gz BCVWXVKHFOWHNE-STQMWFEESA-N 0 3 323.824 2.430 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncc(F)c1 ZINC001032819153 689270995 /nfs/dbraw/zinc/27/09/95/689270995.db2.gz LHFABIVTUCZNNZ-HOTGVXAUSA-N 0 3 303.381 2.015 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001033072513 689377634 /nfs/dbraw/zinc/37/76/34/689377634.db2.gz LDVCPDFCNVCCME-OAHLLOKOSA-N 0 3 316.449 2.116 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2c(CC)noc2CC)C1 ZINC001033155458 689407581 /nfs/dbraw/zinc/40/75/81/689407581.db2.gz KHOWIGFYKVVRLK-CQSZACIVSA-N 0 3 319.449 2.451 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033244342 689436424 /nfs/dbraw/zinc/43/64/24/689436424.db2.gz QGHVRJFLBXRTPL-HNNXBMFYSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2COc3ccccc3C2)C1 ZINC001033244964 689437556 /nfs/dbraw/zinc/43/75/56/689437556.db2.gz BSQJIRWBWWDKNM-SJORKVTESA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001033261157 689442521 /nfs/dbraw/zinc/44/25/21/689442521.db2.gz GCMBITUSLPHBPY-SFHVURJKSA-N 0 3 309.413 2.496 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001033315645 689459286 /nfs/dbraw/zinc/45/92/86/689459286.db2.gz ODPHSBFALCOOLG-OAHLLOKOSA-N 0 3 323.396 2.110 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001033315643 689459979 /nfs/dbraw/zinc/45/99/79/689459979.db2.gz ODPHSBFALCOOLG-HNNXBMFYSA-N 0 3 323.396 2.110 20 30 DEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)CSc1ccc(C#N)cc1 ZINC000874840091 689512241 /nfs/dbraw/zinc/51/22/41/689512241.db2.gz JWZAHTZJNVHAEZ-CVEARBPZSA-N 0 3 315.442 2.345 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874843153 689515013 /nfs/dbraw/zinc/51/50/13/689515013.db2.gz MUIAFMQEOUUXOA-IMJJTQAJSA-N 0 3 313.401 2.021 20 30 DEEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033487157 689519287 /nfs/dbraw/zinc/51/92/87/689519287.db2.gz RCNDVSYUEGHZJJ-ZDUSSCGKSA-N 0 3 323.462 2.402 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cc(F)ccc2OC)C1 ZINC001033519430 689528484 /nfs/dbraw/zinc/52/84/84/689528484.db2.gz MGAMOUFZCGMYNL-MRXNPFEDSA-N 0 3 320.408 2.486 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001033555858 689541995 /nfs/dbraw/zinc/54/19/95/689541995.db2.gz WAXLYMLYZAJIGH-HOTGVXAUSA-N 0 3 324.428 2.153 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001033569170 689546219 /nfs/dbraw/zinc/54/62/19/689546219.db2.gz SIUWHYMIUFLPBC-HOCLYGCPSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001033667513 689577402 /nfs/dbraw/zinc/57/74/02/689577402.db2.gz MUSIMBZCCCWHTI-CQSZACIVSA-N 0 3 324.856 2.262 20 30 DEEDHN Cc1nnc(CCN2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000931031754 694298039 /nfs/dbraw/zinc/29/80/39/694298039.db2.gz DRELIICQSVVEPA-UHFFFAOYSA-N 0 3 311.389 2.369 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033866490 689644575 /nfs/dbraw/zinc/64/45/75/689644575.db2.gz AIITXHJBXWCTAP-HNNXBMFYSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CC[C@H](COC)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000875572587 689652193 /nfs/dbraw/zinc/65/21/93/689652193.db2.gz HBCCPGXWZPWBGS-OIISXLGYSA-N 0 3 317.433 2.015 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn(C)c2CC)C1 ZINC001033952665 689671644 /nfs/dbraw/zinc/67/16/44/689671644.db2.gz YKKFIRGXFVMDRF-HNNXBMFYSA-N 0 3 301.434 2.147 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001033973115 689678902 /nfs/dbraw/zinc/67/89/02/689678902.db2.gz BPBGVMANBCVRNW-OAHLLOKOSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2F)C1 ZINC001033995965 689686604 /nfs/dbraw/zinc/68/66/04/689686604.db2.gz JCFPQXLFLDSORV-CQSZACIVSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(CCC)on2)C1 ZINC001034003834 689689379 /nfs/dbraw/zinc/68/93/79/689689379.db2.gz HYJQMUFWJDKGEX-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000931062387 694307635 /nfs/dbraw/zinc/30/76/35/694307635.db2.gz QDOSKYNFLUODIA-MRXNPFEDSA-N 0 3 314.433 2.363 20 30 DEEDHN C=CCN(C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)(C)C ZINC000875826376 689700606 /nfs/dbraw/zinc/70/06/06/689700606.db2.gz QCACBDNJUNYAOD-HZPDHXFCSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001034253590 689783407 /nfs/dbraw/zinc/78/34/07/689783407.db2.gz IXOVYJPIUUSEDB-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001034286134 689795888 /nfs/dbraw/zinc/79/58/88/689795888.db2.gz IWAOVNMPTSEYIH-CQSZACIVSA-N 0 3 316.449 2.315 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001034296318 689799237 /nfs/dbraw/zinc/79/92/37/689799237.db2.gz OPKLOZUGDYAOEV-CQSZACIVSA-N 0 3 304.390 2.034 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001034314641 689807280 /nfs/dbraw/zinc/80/72/80/689807280.db2.gz WLSWHYRCWOYWSW-LUKYLMHMSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC001034359788 689822025 /nfs/dbraw/zinc/82/20/25/689822025.db2.gz CENWWWUERWJSAJ-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC001034362103 689823132 /nfs/dbraw/zinc/82/31/32/689823132.db2.gz YOVXJSLWYMGTTL-ZBFHGGJFSA-N 0 3 302.422 2.127 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001034367721 689825602 /nfs/dbraw/zinc/82/56/02/689825602.db2.gz HIWQJYCMGFTJLC-HNNXBMFYSA-N 0 3 317.433 2.103 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000876503457 689841157 /nfs/dbraw/zinc/84/11/57/689841157.db2.gz KLSKIYBQMFQZMO-KBPBESRZSA-N 0 3 312.772 2.196 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034481205 689867545 /nfs/dbraw/zinc/86/75/45/689867545.db2.gz RVVNZJOBMKLEHD-AWEZNQCLSA-N 0 3 303.406 2.406 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1OCCOC ZINC000876595846 689870787 /nfs/dbraw/zinc/87/07/87/689870787.db2.gz MIKBLDHHYNCQEI-GFCCVEGCSA-N 0 3 312.797 2.429 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1nc2ccccc2n1CC ZINC000876629111 689882320 /nfs/dbraw/zinc/88/23/20/689882320.db2.gz OVEPDNPXCGJYGV-LLVKDONJSA-N 0 3 306.797 2.142 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nc(C)c2ccccc2n1 ZINC000876640245 689885280 /nfs/dbraw/zinc/88/52/80/689885280.db2.gz OOKLWFOZBVTCGP-LBPRGKRZSA-N 0 3 304.781 2.024 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001034539993 689892013 /nfs/dbraw/zinc/89/20/13/689892013.db2.gz DGUPQNOQUBYMHT-CYBMUJFWSA-N 0 3 315.373 2.304 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000876673069 689897026 /nfs/dbraw/zinc/89/70/26/689897026.db2.gz JLJQLKWDZGBZNS-AVGNSLFASA-N 0 3 302.846 2.414 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(CCOC)nc2c1 ZINC000876692937 689905392 /nfs/dbraw/zinc/90/53/92/689905392.db2.gz KHGCLVQHWCSNBQ-LLVKDONJSA-N 0 3 323.780 2.425 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000876695338 689905952 /nfs/dbraw/zinc/90/59/52/689905952.db2.gz XBOQHRSVVZJQIF-ZYHUDNBSSA-N 0 3 320.780 2.384 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000876705137 689909677 /nfs/dbraw/zinc/90/96/77/689909677.db2.gz WSNVCSPPGUKPRX-CVEARBPZSA-N 0 3 322.836 2.317 20 30 DEEDHN COC(=O)[C@@]1(C)CCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876782725 689936121 /nfs/dbraw/zinc/93/61/21/689936121.db2.gz 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C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC(F)(F)F)C2 ZINC001045919477 692050670 /nfs/dbraw/zinc/05/06/70/692050670.db2.gz XWJURXGZERPXFJ-CQSZACIVSA-N 0 3 302.340 2.277 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1scnc1C)C2 ZINC001045920729 692051008 /nfs/dbraw/zinc/05/10/08/692051008.db2.gz XKSCVGKZPYFBTA-KRWDZBQOSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCOC1)C2 ZINC001045924649 692052666 /nfs/dbraw/zinc/05/26/66/692052666.db2.gz MIFUZTFPJVYPCZ-PKOBYXMFSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cncc(C)c1)C2 ZINC001045924188 692052854 /nfs/dbraw/zinc/05/28/54/692052854.db2.gz GYJDXPXFVKAWLR-IBGZPJMESA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)n1cccc1)C2 ZINC001045931156 692055142 /nfs/dbraw/zinc/05/51/42/692055142.db2.gz HEOZISQDHBQAKF-HKUYNNGSSA-N 0 3 313.445 2.387 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C/c1ccc[nH]1)C2 ZINC001045934323 692056780 /nfs/dbraw/zinc/05/67/80/692056780.db2.gz 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C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)Cc3ccccc3C)C[C@@H]2C1 ZINC001049239253 692797795 /nfs/dbraw/zinc/79/77/95/692797795.db2.gz ZBOGJQDXKBKJOX-YTQUADARSA-N 0 3 310.441 2.197 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1ccco1 ZINC001049332701 692840255 /nfs/dbraw/zinc/84/02/55/692840255.db2.gz RXCIXJLDHHBDLY-IAGOWNOFSA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)nn1 ZINC001049474461 692893463 /nfs/dbraw/zinc/89/34/63/692893463.db2.gz LVVARUSYORGYRD-CVEARBPZSA-N 0 3 300.406 2.040 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000932143978 694559538 /nfs/dbraw/zinc/55/95/38/694559538.db2.gz JZGNAJUAIUMNIM-LSDHHAIUSA-N 0 3 322.449 2.121 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)nc1C1CC1 ZINC001049498132 692902606 /nfs/dbraw/zinc/90/26/06/692902606.db2.gz MAWBKYOHBWCKBF-JKSUJKDBSA-N 0 3 314.433 2.162 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(Cl)cnn1CC ZINC001049499208 692902842 /nfs/dbraw/zinc/90/28/42/692902842.db2.gz 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C[C@H](CNC(=O)C1CCCC1)NCc1ccc(F)c(C#N)c1 ZINC001480414350 1151778851 /nfs/dbraw/zinc/77/88/51/1151778851.db2.gz FSKYSEOCJICNOG-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN CS[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480446054 1151809944 /nfs/dbraw/zinc/80/99/44/1151809944.db2.gz IGTDQBJBZGHYAD-QWRGUYRKSA-N 0 3 311.476 2.356 20 30 DEEDHN CC[C@H](F)CNC[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001402748983 1162458382 /nfs/dbraw/zinc/45/83/82/1162458382.db2.gz IEQXBOPBIQFKKH-DZGCQCFKSA-N 0 3 306.385 2.219 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC(c3ncccn3)CC2)c1 ZINC001414031421 1152533077 /nfs/dbraw/zinc/53/30/77/1152533077.db2.gz IFYPBTGLQKHOSH-QGZVFWFLSA-N 0 3 308.385 2.261 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@H]1C#N ZINC001361340031 1152607931 /nfs/dbraw/zinc/60/79/31/1152607931.db2.gz IZFHHJUEQYRYEB-TZMCWYRMSA-N 0 3 307.344 2.015 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCCN(C(=O)CN(C)CCC)[C@@H]2C1 ZINC001380753047 1152852791 /nfs/dbraw/zinc/85/27/91/1152852791.db2.gz IOUKNXAIKIJDNF-LSDHHAIUSA-N 0 3 313.873 2.004 20 30 DEEDHN Cc1nsc(C)c1CNC1(CNC(=O)[C@H](C)C#N)CCC1 ZINC001380853128 1152866058 /nfs/dbraw/zinc/86/60/58/1152866058.db2.gz QGTWXSDIVAXMIF-SNVBAGLBSA-N 0 3 306.435 2.048 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnnc(C)c1 ZINC001381471369 1153077584 /nfs/dbraw/zinc/07/75/84/1153077584.db2.gz HNOAXNSAXBCDCS-UHFFFAOYSA-N 0 3 310.829 2.225 20 30 DEEDHN C[C@@H](CNC(=O)c1cncs1)N(C)Cc1ccc(C#N)cc1 ZINC001381489120 1153086911 /nfs/dbraw/zinc/08/69/11/1153086911.db2.gz IGFSQNFKQGTKRJ-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@H](CNC(=O)COC(C)(C)C)N(C)Cc1ccc(C#N)cc1 ZINC001381506579 1153101152 /nfs/dbraw/zinc/10/11/52/1153101152.db2.gz SNKKLXQXGXLUSW-CQSZACIVSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](CNC(=O)c1ccns1)N(C)Cc1cccc(C#N)c1 ZINC001381536785 1153114505 /nfs/dbraw/zinc/11/45/05/1153114505.db2.gz XCJJHNKNVTZJHL-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cc[nH]n2)CCCCC1 ZINC001381716997 1153193842 /nfs/dbraw/zinc/19/38/42/1153193842.db2.gz QWVIXBHKCUGWGJ-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C)C1 ZINC001381946003 1153284438 /nfs/dbraw/zinc/28/44/38/1153284438.db2.gz DFQJQYURJJWXCR-HKWIRBFKSA-N 0 3 301.228 2.035 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001381972168 1153297706 /nfs/dbraw/zinc/29/77/06/1153297706.db2.gz ZKZVBIGNCJERDR-AJNGGQMLSA-N 0 3 314.857 2.429 20 30 DEEDHN CCCC(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001382044828 1153330352 /nfs/dbraw/zinc/33/03/52/1153330352.db2.gz USGHFRSSNSZUIP-ZDUSSCGKSA-N 0 3 303.406 2.303 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001402993026 1162607140 /nfs/dbraw/zinc/60/71/40/1162607140.db2.gz NNZTUPAJTJZEID-VXGBXAGGSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001389528204 1155362140 /nfs/dbraw/zinc/36/21/40/1155362140.db2.gz MDPBAKSNFVVCJZ-KGLIPLIRSA-N 0 3 313.873 2.050 20 30 DEEDHN C[C@@H](CNC(=O)c1cccnc1)NCc1ccc(F)c(C#N)c1 ZINC001371085775 1155692902 /nfs/dbraw/zinc/69/29/02/1155692902.db2.gz ABUPJFCHVUQCML-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN CCC[C@@H](OC)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001390456383 1155729216 /nfs/dbraw/zinc/72/92/16/1155729216.db2.gz OIGNCUQSWGDNIU-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN CC(C)(C)OCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001390551666 1155802243 /nfs/dbraw/zinc/80/22/43/1155802243.db2.gz FZRUHMBEECNNOC-LBPRGKRZSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(Cl)cnn1CC ZINC001390673306 1155834703 /nfs/dbraw/zinc/83/47/03/1155834703.db2.gz ZKYNENGRWXVYTR-SNVBAGLBSA-N 0 3 319.236 2.407 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)[C@H]1CCCCN1C ZINC001372715255 1156695604 /nfs/dbraw/zinc/69/56/04/1156695604.db2.gz WRGUNZFQMUNTBB-CQSZACIVSA-N 0 3 301.862 2.051 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)COCC(F)F)CCCC1 ZINC001391763674 1156788746 /nfs/dbraw/zinc/78/87/46/1156788746.db2.gz GQRAZFNQXQIAMG-UHFFFAOYSA-N 0 3 310.772 2.039 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001391720189 1156735602 /nfs/dbraw/zinc/73/56/02/1156735602.db2.gz PVLQSKKWAMHOGS-ZIAGYGMSSA-N 0 3 309.360 2.430 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1CCCOC1)NCc1ccc(C#N)s1 ZINC001373741335 1157329988 /nfs/dbraw/zinc/32/99/88/1157329988.db2.gz VYWVSJHRDUOZLY-OLZOCXBDSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2c(C)nn(C)c2C)CCCC1 ZINC001374164561 1157679552 /nfs/dbraw/zinc/67/95/52/1157679552.db2.gz AHRZLQRDBCHPDO-UHFFFAOYSA-N 0 3 324.856 2.422 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1COc2ccccc2O1 ZINC001393825780 1158011288 /nfs/dbraw/zinc/01/12/88/1158011288.db2.gz ZSQWTOUZWHBKLX-SWLSCSKDSA-N 0 3 324.808 2.063 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001393850574 1158020958 /nfs/dbraw/zinc/02/09/58/1158020958.db2.gz AUPYUTLUYVYWRF-OAHLLOKOSA-N 0 3 314.857 2.478 20 30 DEEDHN COc1ccc(CN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)cc1Cl ZINC001394046749 1158204991 /nfs/dbraw/zinc/20/49/91/1158204991.db2.gz UMMKHALFSJCPHX-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394050661 1158209716 /nfs/dbraw/zinc/20/97/16/1158209716.db2.gz UGGNHCFCUAKOMU-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN Cc1nc(CN[C@@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C)c(C)o1 ZINC001394175136 1158348578 /nfs/dbraw/zinc/34/85/78/1158348578.db2.gz WRLYJODEQOQSGM-WFASDCNBSA-N 0 3 320.437 2.414 20 30 DEEDHN CC(F)(F)C(=O)[N-][C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001375200344 1158377376 /nfs/dbraw/zinc/37/73/76/1158377376.db2.gz KQHCCGAXDNPHLD-GFCCVEGCSA-N 0 3 313.373 2.259 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)COc1ccc(OC)cc1 ZINC001568504367 1158415993 /nfs/dbraw/zinc/41/59/93/1158415993.db2.gz VVMPANFZNDNVSC-UHFFFAOYSA-N 0 3 306.406 2.040 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001394374647 1158442630 /nfs/dbraw/zinc/44/26/30/1158442630.db2.gz QFFXASBEPHOEDE-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CO[C@H](C)CC)C1 ZINC001375570487 1158816646 /nfs/dbraw/zinc/81/66/46/1158816646.db2.gz WJAQVXXDEGFVFS-HZSPNIEDSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001376022328 1159055372 /nfs/dbraw/zinc/05/53/72/1159055372.db2.gz UMFLBSBGSILAFA-QWHCGFSZSA-N 0 3 310.829 2.443 20 30 DEEDHN CO[C@H](C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001403591055 1163028852 /nfs/dbraw/zinc/02/88/52/1163028852.db2.gz BGWISWVMYXEYDR-DOMZBBRYSA-N 0 3 323.462 2.227 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001376364930 1159362860 /nfs/dbraw/zinc/36/28/60/1159362860.db2.gz ZMGBHLKYRJRGEQ-XDTLVQLUSA-N 0 3 309.772 2.376 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)c1 ZINC001376364207 1159363068 /nfs/dbraw/zinc/36/30/68/1159363068.db2.gz XJWDTKSOEVHPIA-MGCOHNPYSA-N 0 3 313.188 2.056 20 30 DEEDHN CS[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001376443822 1159426953 /nfs/dbraw/zinc/42/69/53/1159426953.db2.gz LBEAYWXQIQNNGK-HONMWMINSA-N 0 3 321.421 2.186 20 30 DEEDHN CS[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001376707720 1159710011 /nfs/dbraw/zinc/71/00/11/1159710011.db2.gz DEYIVXNYNLFRHP-RYUDHWBXSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@@H](CCNC(=O)C1CCC1)NCc1cc(C#N)ccc1F ZINC001376998233 1159870562 /nfs/dbraw/zinc/87/05/62/1159870562.db2.gz BWBMVRHLFLCAIY-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@H](CCNC(=O)C1(C)CC1)NCc1cc(C#N)ccc1F ZINC001377025143 1159879633 /nfs/dbraw/zinc/87/96/33/1159879633.db2.gz PWEADKZSOGAIGP-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2nccn21 ZINC001377046915 1159884592 /nfs/dbraw/zinc/88/45/92/1159884592.db2.gz SXRGCNWQVIQXJF-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1OCC ZINC001397179847 1160036765 /nfs/dbraw/zinc/03/67/65/1160036765.db2.gz ZJRXMOFIUOWIPF-MCIONIFRSA-N 0 3 320.836 2.186 20 30 DEEDHN CC(C)(F)C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001377428467 1160359485 /nfs/dbraw/zinc/35/94/85/1160359485.db2.gz UQGATWXLCNWYLY-OAHLLOKOSA-N 0 3 303.381 2.244 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3c[nH]nc32)C1 ZINC001377712703 1160769934 /nfs/dbraw/zinc/76/99/34/1160769934.db2.gz MPHFEQYWBMLVEI-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN CC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001377754403 1160806997 /nfs/dbraw/zinc/80/69/97/1160806997.db2.gz GOBXSBRQEAZADV-OLZOCXBDSA-N 0 3 321.446 2.362 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)CCOC)CCCC[C@H]1C ZINC001401016976 1161860816 /nfs/dbraw/zinc/86/08/16/1161860816.db2.gz DRCQYXWZEKJBJD-DOMZBBRYSA-N 0 3 302.846 2.430 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)N(C)C(=O)CCCF ZINC001401238720 1161901145 /nfs/dbraw/zinc/90/11/45/1161901145.db2.gz HEQANTHNKDYEAC-CYBMUJFWSA-N 0 3 321.396 2.253 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnn(C(F)F)c1)C(C)C ZINC001401341458 1161938651 /nfs/dbraw/zinc/93/86/51/1161938651.db2.gz CXFXZJIOJYDXKM-NSHDSACASA-N 0 3 320.771 2.375 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)co1 ZINC001401745175 1162105227 /nfs/dbraw/zinc/10/52/27/1162105227.db2.gz MUFGIFGSMUPSJH-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN Cc1ccncc1CN1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001402072997 1162236519 /nfs/dbraw/zinc/23/65/19/1162236519.db2.gz JYURBQCCZOGVPZ-AWEZNQCLSA-N 0 3 300.406 2.020 20 30 DEEDHN COc1cccc(CN2CCC(C)(NC(=O)[C@H](C)C#N)CC2)c1 ZINC001402080944 1162239383 /nfs/dbraw/zinc/23/93/83/1162239383.db2.gz SRMQIWXAJFFJRQ-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@H](C)CO2)CCCC1 ZINC001405385850 1164069616 /nfs/dbraw/zinc/06/96/16/1164069616.db2.gz LDESXTDECHGNEO-WCQYABFASA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)c1cc(C#N)c[nH]1 ZINC001406472608 1164626933 /nfs/dbraw/zinc/62/69/33/1164626933.db2.gz QWEOEXQLDYEATJ-RYUDHWBXSA-N 0 3 314.364 2.495 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(CF)CCC1 ZINC001406528744 1164658145 /nfs/dbraw/zinc/65/81/45/1164658145.db2.gz MADFYZQYLPOQFN-NSHDSACASA-N 0 3 309.410 2.354 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)CCc1c(F)cccc1F ZINC001406590808 1164707989 /nfs/dbraw/zinc/70/79/89/1164707989.db2.gz RYNAEJLJIYZEKS-RYUDHWBXSA-N 0 3 309.360 2.103 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)Cn2cncc2C)CC1 ZINC001407272613 1165079333 /nfs/dbraw/zinc/07/93/33/1165079333.db2.gz IDUUVAOFYTWVNI-UHFFFAOYSA-N 0 3 324.856 2.162 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cnccc1C)C1CC1 ZINC001419265086 1168357773 /nfs/dbraw/zinc/35/77/73/1168357773.db2.gz LJPVIHVVUBRMPI-HNNXBMFYSA-N 0 3 307.825 2.169 20 30 DEEDHN Cc1nsc(C)c1CN1CCC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001419535049 1168580806 /nfs/dbraw/zinc/58/08/06/1168580806.db2.gz GFYCCUNMGKPZCK-SMDDNHRTSA-N 0 3 320.462 2.248 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccco1)NCc1ccc(C#N)s1 ZINC001419886803 1168892008 /nfs/dbraw/zinc/89/20/08/1168892008.db2.gz KOXBANLRMFQPDD-LLVKDONJSA-N 0 3 303.387 2.050 20 30 DEEDHN COCCC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001420009899 1169057607 /nfs/dbraw/zinc/05/76/07/1169057607.db2.gz POUKEENMKDYPBZ-DLBZAZTESA-N 0 3 315.417 2.112 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)COC1CCCC1 ZINC001420270310 1169304564 /nfs/dbraw/zinc/30/45/64/1169304564.db2.gz OSCZXCJWNIDWRH-GFCCVEGCSA-N 0 3 321.446 2.173 20 30 DEEDHN CC1(NC(=O)C(F)F)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001421139709 1171522989 /nfs/dbraw/zinc/52/29/89/1171522989.db2.gz RSYGEQXFYVBNSS-UHFFFAOYSA-N 0 3 307.344 2.294 20 30 DEEDHN Cc1ncc(CNC[C@H](NC(=O)[C@@H](C)C#N)C2CCCC2)s1 ZINC001421162634 1171542374 /nfs/dbraw/zinc/54/23/74/1171542374.db2.gz TZIOCQDIRKQSTI-NHYWBVRUSA-N 0 3 320.462 2.376 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cn2ccnc2)CCCC[C@H]1C ZINC001421574280 1171854059 /nfs/dbraw/zinc/85/40/59/1171854059.db2.gz JPHPUUJAVWLYHT-CZUORRHYSA-N 0 3 324.856 2.290 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CCOCC1 ZINC001422008387 1172226398 /nfs/dbraw/zinc/22/63/98/1172226398.db2.gz AYDDTBYOSRHLOO-WDNDVIMCSA-N 0 3 312.841 2.040 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001422137146 1172332775 /nfs/dbraw/zinc/33/27/75/1172332775.db2.gz VYGAAPKVXXXKOP-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN Cc1conc1C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001422389543 1172544315 /nfs/dbraw/zinc/54/43/15/1172544315.db2.gz BUWLAEXATIMTBX-QWRGUYRKSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001422447721 1172600297 /nfs/dbraw/zinc/60/02/97/1172600297.db2.gz UOCXMCUYDQIBIC-MRXNPFEDSA-N 0 3 316.873 2.364 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001422608867 1172756581 /nfs/dbraw/zinc/75/65/81/1172756581.db2.gz YNVGOLQUFLWMTL-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@]12C[C@H]1CCC2 ZINC001422671888 1172803627 /nfs/dbraw/zinc/80/36/27/1172803627.db2.gz DICMKNLWQSGOHY-WBHUJUFNSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001424264481 1173724683 /nfs/dbraw/zinc/72/46/83/1173724683.db2.gz WRKMVDVCSOIDFQ-TZMCWYRMSA-N 0 3 324.856 2.312 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cncc(CC)c2)C1 ZINC001424726259 1173889093 /nfs/dbraw/zinc/88/90/93/1173889093.db2.gz BLQZCQDMRINZSO-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)[C@@H](C)CNC(=O)[C@H](C)C#N)c1 ZINC001424918019 1174031571 /nfs/dbraw/zinc/03/15/71/1174031571.db2.gz DQMQORZBYWSOAJ-CVEARBPZSA-N 0 3 317.433 2.278 20 30 DEEDHN Cc1cccnc1CN1CCCCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001425195208 1174225264 /nfs/dbraw/zinc/22/52/64/1174225264.db2.gz PLBGKCJGPIQCAA-HOTGVXAUSA-N 0 3 314.433 2.411 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 ZINC001425336048 1174290535 /nfs/dbraw/zinc/29/05/35/1174290535.db2.gz ZEGAFBRKBUCYST-CYUUQNCZSA-N 0 3 317.820 2.294 20 30 DEEDHN C[C@@H](CNc1cnc(C#N)c(C#N)n1)N1CCc2ccccc2C1 ZINC001434437331 1178548195 /nfs/dbraw/zinc/54/81/95/1178548195.db2.gz UZBWMVXFUJMGBD-ZDUSSCGKSA-N 0 3 318.384 2.079 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](c3ncccn3)C2)cc1 ZINC001434490693 1178659333 /nfs/dbraw/zinc/65/93/33/1178659333.db2.gz UHEHPBZUWSZAPX-HNNXBMFYSA-N 0 3 321.384 2.166 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCn1cccn1 ZINC001436658066 1179170715 /nfs/dbraw/zinc/17/07/15/1179170715.db2.gz AFMSKODGPPEVEW-HUUCEWRRSA-N 0 3 324.856 2.385 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001436926358 1179304642 /nfs/dbraw/zinc/30/46/42/1179304642.db2.gz IQPFXFVWLHISGT-MGPQQGTHSA-N 0 3 302.846 2.427 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1ccn(C)c1 ZINC001437371194 1179768117 /nfs/dbraw/zinc/76/81/17/1179768117.db2.gz XCBHUVAKNRAUNT-LLVKDONJSA-N 0 3 314.227 2.032 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC001437662504 1179881282 /nfs/dbraw/zinc/88/12/82/1179881282.db2.gz SXTSQCILTRTEBA-BBRMVZONSA-N 0 3 310.401 2.408 20 30 DEEDHN C[C@@H](NCCN(C)C(=O)c1c[nH]c(C#N)c1)c1ccccc1F ZINC001437827594 1180017317 /nfs/dbraw/zinc/01/73/17/1180017317.db2.gz AEIZYPMZIWKJOZ-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN C=C(Cl)CN[C@@H](CC)CNC(=O)Cc1[nH]nc2c1CCCC2 ZINC001438309063 1180337359 /nfs/dbraw/zinc/33/73/59/1180337359.db2.gz ZIAJZDYKWOKOPG-LBPRGKRZSA-N 0 3 324.856 2.068 20 30 DEEDHN C=C(Cl)CN[C@@H](CC)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001438309063 1180337369 /nfs/dbraw/zinc/33/73/69/1180337369.db2.gz ZIAJZDYKWOKOPG-LBPRGKRZSA-N 0 3 324.856 2.068 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccnn2CC)CCCC1 ZINC001438384448 1180385649 /nfs/dbraw/zinc/38/56/49/1180385649.db2.gz IRTHWBIUOUPCQX-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001438473678 1180472824 /nfs/dbraw/zinc/47/28/24/1180472824.db2.gz JFVDKURLHKJRBQ-GFCCVEGCSA-N 0 3 312.373 2.010 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001438487938 1180490184 /nfs/dbraw/zinc/49/01/84/1180490184.db2.gz NBSDVDLAPPPEKY-UGFHNGPFSA-N 0 3 321.371 2.301 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001439159540 1180901696 /nfs/dbraw/zinc/90/16/96/1180901696.db2.gz LSIWVZBQWMXZTH-XFBWCDHKSA-N 0 3 315.392 2.338 20 30 DEEDHN CC(C)(F)C(=O)NCC1(NCc2ccc(OCC#N)cc2)CC1 ZINC001439579956 1181154905 /nfs/dbraw/zinc/15/49/05/1181154905.db2.gz HILVTJSAWNMNDQ-UHFFFAOYSA-N 0 3 319.380 2.075 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](NCc1ccccc1Cl)C1CC1 ZINC001441179495 1181885585 /nfs/dbraw/zinc/88/55/85/1181885585.db2.gz WGMJMMVZXNGDEN-NHYWBVRUSA-N 0 3 305.809 2.484 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001441346807 1181951470 /nfs/dbraw/zinc/95/14/70/1181951470.db2.gz DCTIIGXGGJZCKB-UBHSHLNASA-N 0 3 318.421 2.251 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C)(C)CCOC)C1 ZINC001441372239 1181961054 /nfs/dbraw/zinc/96/10/54/1181961054.db2.gz VUIIWGKJFMCSGJ-JOCQHMNTSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001441426129 1181987970 /nfs/dbraw/zinc/98/79/70/1181987970.db2.gz WAWBFQDBOBLXAO-IJLUTSLNSA-N 0 3 303.244 2.424 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001441460873 1182005539 /nfs/dbraw/zinc/00/55/39/1182005539.db2.gz YKOAGAQCQNLECG-JLLWLGSASA-N 0 3 309.772 2.376 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001441736788 1182141939 /nfs/dbraw/zinc/14/19/39/1182141939.db2.gz VYKISILARCOMSO-VGAIFNRVSA-N 0 3 304.221 2.482 20 30 DEEDHN CC[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001441794167 1182166683 /nfs/dbraw/zinc/16/66/83/1182166683.db2.gz WIILDJZFSYMGND-QWHCGFSZSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(CC)nnc1C ZINC001442290034 1182407222 /nfs/dbraw/zinc/40/72/22/1182407222.db2.gz VKCHDTIHBJZVFY-LLVKDONJSA-N 0 3 310.829 2.198 20 30 DEEDHN CCN(CCNC(=O)C[C@H]1CCCO1)Cc1cccc(C#N)c1 ZINC001442638382 1182597256 /nfs/dbraw/zinc/59/72/56/1182597256.db2.gz OFNCNOLSROPLKL-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001443234814 1182888885 /nfs/dbraw/zinc/88/88/85/1182888885.db2.gz AZULNDXAXULPIY-TZMCWYRMSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CCNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001443234814 1182888889 /nfs/dbraw/zinc/88/88/89/1182888889.db2.gz AZULNDXAXULPIY-TZMCWYRMSA-N 0 3 324.856 2.169 20 30 DEEDHN CC[C@H](CNC(=O)c1oncc1C)NCc1ccc(C#N)s1 ZINC001444014190 1183255483 /nfs/dbraw/zinc/25/54/83/1183255483.db2.gz FTNOZHOIPIOMQE-LLVKDONJSA-N 0 3 318.402 2.214 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001444645753 1183497381 /nfs/dbraw/zinc/49/73/81/1183497381.db2.gz CMRDJMBBCDXURB-TYNCELHUSA-N 0 3 303.381 2.290 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001445506368 1183887878 /nfs/dbraw/zinc/88/78/78/1183887878.db2.gz VVQCEPGXZAFDAM-HIFRSBDPSA-N 0 3 309.841 2.136 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001445591343 1183922313 /nfs/dbraw/zinc/92/23/13/1183922313.db2.gz HRKBTDWIXLNKMN-SMDDNHRTSA-N 0 3 309.435 2.029 20 30 DEEDHN COc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H](C)C#N)cc1Cl ZINC001445691132 1183984116 /nfs/dbraw/zinc/98/41/16/1183984116.db2.gz TUVMQYLWVWCJGA-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001447808862 1184879654 /nfs/dbraw/zinc/87/96/54/1184879654.db2.gz AGPVULQPWPKUBZ-UHFFFAOYSA-N 0 3 320.820 2.472 20 30 DEEDHN CCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C#N)ccc1OC ZINC001447823805 1184884000 /nfs/dbraw/zinc/88/40/00/1184884000.db2.gz QEOBMIRWYPGIRC-CHWSQXEVSA-N 0 3 303.406 2.350 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H](CNCc1cccc(F)c1F)C1CC1 ZINC001448576511 1185302683 /nfs/dbraw/zinc/30/26/83/1185302683.db2.gz XPTJXKPESZOZPQ-NHYWBVRUSA-N 0 3 321.371 2.451 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C)c(C(=O)OC)c1 ZINC001448872186 1185444193 /nfs/dbraw/zinc/44/41/93/1185444193.db2.gz ICEFNHQRAYTFGL-UHFFFAOYSA-N 0 3 318.417 2.362 20 30 DEEDHN Cc1ncccc1CN1CC[C@]2(NC(=O)[C@@H](C)C#N)CCC[C@@H]12 ZINC001449004474 1185478715 /nfs/dbraw/zinc/47/87/15/1185478715.db2.gz BLXABHJELCFSLD-FDQGKXFDSA-N 0 3 312.417 2.163 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001405429195 1164088043 /nfs/dbraw/zinc/08/80/43/1164088043.db2.gz NEXZWJGBSWQQNE-LDZOIKDWSA-N 0 3 314.857 2.165 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)COc1cccc2ccccc21 ZINC001331972034 1149801895 /nfs/dbraw/zinc/80/18/95/1149801895.db2.gz OWBHHOKNAOSUNV-HOTGVXAUSA-N 0 3 301.386 2.370 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)COCc2ccc(C)cc2)C1 ZINC001331992365 1149804669 /nfs/dbraw/zinc/80/46/69/1149804669.db2.gz AUWACAAXRJYDOQ-WMZOPIPTSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCOc2cccc(C)c2)C1 ZINC001332045114 1149812717 /nfs/dbraw/zinc/81/27/17/1149812717.db2.gz CCWJENSMFQXAJA-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)[C@@H](F)C(C)C)CCC[C@@H]12 ZINC001332098548 1149819099 /nfs/dbraw/zinc/81/90/99/1149819099.db2.gz DARSBSQBSSAHLW-HLLBOEOZSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106181488 782478840 /nfs/dbraw/zinc/47/88/40/782478840.db2.gz PRDWWFORGFUISH-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(Cl)CN1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001407117840 1164989706 /nfs/dbraw/zinc/98/97/06/1164989706.db2.gz HHSUZRGGKPTFNF-UHFFFAOYSA-N 0 3 313.873 2.194 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC001072933026 790308792 /nfs/dbraw/zinc/30/87/92/790308792.db2.gz FZNNPXVLLCTHHX-UHFFFAOYSA-N 0 3 307.397 2.339 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2snnc2C)C1 ZINC001333103389 1149998870 /nfs/dbraw/zinc/99/88/70/1149998870.db2.gz XWBOLNKVNDBFCY-UHFFFAOYSA-N 0 3 308.451 2.138 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3nc(C(C)C)oc3C)C[C@@H]2C1 ZINC001087965038 779575417 /nfs/dbraw/zinc/57/54/17/779575417.db2.gz LPKZDESQSWDTIF-CABCVRRESA-N 0 3 315.417 2.134 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCCn2ccnc2)CC1 ZINC001168474012 782595861 /nfs/dbraw/zinc/59/58/61/782595861.db2.gz BUMDFRQJTHAPSB-UHFFFAOYSA-N 0 3 324.856 2.292 20 30 DEEDHN CC[C@@H](C(=O)N[C@@H](C)CCNc1cccc(F)c1C#N)N(C)C ZINC001106389222 782682157 /nfs/dbraw/zinc/68/21/57/782682157.db2.gz GXNAIQJGQUDTLP-LRDDRELGSA-N 0 3 320.412 2.344 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2CC)CC(C)(C)C1 ZINC001089343055 782880058 /nfs/dbraw/zinc/88/00/58/782880058.db2.gz CGJWRNKWAFVDAP-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC001099290858 783003372 /nfs/dbraw/zinc/00/33/72/783003372.db2.gz BVLPZBNUALPCHW-QFBILLFUSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)CC(C)(C)C1 ZINC001089410910 783078923 /nfs/dbraw/zinc/07/89/23/783078923.db2.gz XBGOGKIKDHRFJK-OAGGEKHMSA-N 0 3 306.450 2.042 20 30 DEEDHN Cc1cc(CNC2CC(CNC(=O)C#CC(C)C)C2)sn1 ZINC001100310419 783088019 /nfs/dbraw/zinc/08/80/19/783088019.db2.gz QZAXBLSOYNBMDK-UHFFFAOYSA-N 0 3 305.447 2.095 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cncc(CC)c2)CC(C)(C)C1 ZINC001089442136 783109973 /nfs/dbraw/zinc/10/99/73/783109973.db2.gz NPMFDXBGTVJLPX-KRWDZBQOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC(C)(C)C1 ZINC001089449383 783115766 /nfs/dbraw/zinc/11/57/66/783115766.db2.gz VWSJUVBQJJWASC-ZACQAIPSSA-N 0 3 318.461 2.042 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c2OCCO3)C[C@H]1C ZINC000947364929 783117616 /nfs/dbraw/zinc/11/76/16/783117616.db2.gz FJWUVPHLYILZRR-KGLIPLIRSA-N 0 3 316.401 2.227 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3n[nH]cc32)CC(C)(C)C1 ZINC001089456842 783122843 /nfs/dbraw/zinc/12/28/43/783122843.db2.gz MQEFYVDLUIVIQC-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C[C@H]1C ZINC000947502354 783153988 /nfs/dbraw/zinc/15/39/88/783153988.db2.gz NLASCODOEIIUCS-NXEZZACHSA-N 0 3 317.311 2.462 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnn(CCC)c2)CC(C)(C)C1 ZINC001089510568 783173272 /nfs/dbraw/zinc/17/32/72/783173272.db2.gz XLRKCHDZASYMGF-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C[C@H]1C ZINC000947564753 783175995 /nfs/dbraw/zinc/17/59/95/783175995.db2.gz 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C=CCN1CCC2(CN(C(=O)CCn3ccnc3C(C)C)C2)C1 ZINC001073033229 790407325 /nfs/dbraw/zinc/40/73/25/790407325.db2.gz GRHYJOVIUPNZMO-UHFFFAOYSA-N 0 3 316.449 2.117 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3scnc3C3CC3)C2)C1 ZINC001073043368 790412401 /nfs/dbraw/zinc/41/24/01/790412401.db2.gz VBZBYMKCBLMSLH-UHFFFAOYSA-N 0 3 303.431 2.354 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2)[C@H](O)C1 ZINC001090648369 790417866 /nfs/dbraw/zinc/41/78/66/790417866.db2.gz WVFIJQLBQUKQJM-HUUCEWRRSA-N 0 3 324.371 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)[C@H](O)C1 ZINC001090690803 790445569 /nfs/dbraw/zinc/44/55/69/790445569.db2.gz UOFFZDYRWVGWDI-JKSUJKDBSA-N 0 3 320.433 2.453 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3CCO[C@H](CC)C3)C2)C1 ZINC001073108716 790459282 /nfs/dbraw/zinc/45/92/82/790459282.db2.gz HZFGHDJOOCLJIE-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)[C@@H](O)C1 ZINC001090726576 790463800 /nfs/dbraw/zinc/46/38/00/790463800.db2.gz 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ZINC001083257346 777470643 /nfs/dbraw/zinc/47/06/43/777470643.db2.gz VGRUXJIRVNSQBG-ZWKOTPCHSA-N 0 3 314.429 2.486 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001167670263 777500396 /nfs/dbraw/zinc/50/03/96/777500396.db2.gz ZNIFUIQMMMNTEU-CJNGLKHVSA-N 0 3 312.841 2.042 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccnc3)C(C)(C)[C@@H]21 ZINC001087269839 777673267 /nfs/dbraw/zinc/67/32/67/777673267.db2.gz PPXAZMPUJNLVOU-BRWVUGGUSA-N 0 3 311.429 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CCOCC3)C(C)(C)[C@@H]21 ZINC001087276789 777694672 /nfs/dbraw/zinc/69/46/72/777694672.db2.gz DONBLZSOFYGBMP-KBAYOESNSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1csnc1C ZINC001087281256 777710548 /nfs/dbraw/zinc/71/05/48/777710548.db2.gz DQFQPPGQJZZLNV-VHDGCEQUSA-N 0 3 317.458 2.304 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccoc3)C(C)(C)[C@H]21 ZINC001087281485 777712420 /nfs/dbraw/zinc/71/24/20/777712420.db2.gz HNYFUNAISJCWCZ-NXHRZFHOSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccncc1C ZINC001087285869 777728797 /nfs/dbraw/zinc/72/87/97/777728797.db2.gz HEMSPTVSNNOINJ-IXDOHACOSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3conc3CC)C(C)(C)[C@@H]21 ZINC001087302142 777752337 /nfs/dbraw/zinc/75/23/37/777752337.db2.gz OCHCAPSTUWICPV-DAXOMENPSA-N 0 3 315.417 2.089 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccco3)C(C)(C)[C@@H]21 ZINC001087309629 777766989 /nfs/dbraw/zinc/76/69/89/777766989.db2.gz JVSDESBJNBTYCY-DJIMGWMZSA-N 0 3 300.402 2.061 20 30 DEEDHN C=CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1oncc1C ZINC001087311411 777771946 /nfs/dbraw/zinc/77/19/46/777771946.db2.gz NZRDHMVNWNPQPV-VHDGCEQUSA-N 0 3 303.406 2.388 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C ZINC001104589332 777953464 /nfs/dbraw/zinc/95/34/64/777953464.db2.gz WZMVQZCUGDZWLF-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H](O)C1 ZINC001090840726 790592151 /nfs/dbraw/zinc/59/21/51/790592151.db2.gz FDDBGRKIZUNCEC-WINGESFGSA-N 0 3 320.477 2.330 20 30 DEEDHN C[C@H](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)N(C)C1CC1 ZINC001143663168 790625248 /nfs/dbraw/zinc/62/52/48/790625248.db2.gz JJBOZQWQHFYYOA-DUWGPSABSA-N 0 3 304.365 2.007 20 30 DEEDHN C[C@H](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)N(C)C1CC1 ZINC001143663173 790625673 /nfs/dbraw/zinc/62/56/73/790625673.db2.gz JJBOZQWQHFYYOA-SBKJXLNCSA-N 0 3 304.365 2.007 20 30 DEEDHN C#Cc1ccc(C(=O)NCCC2(CNCC(=C)Cl)CC2)nc1 ZINC001167784057 778537889 /nfs/dbraw/zinc/53/78/89/778537889.db2.gz KVHZMSVSNGNKJI-UHFFFAOYSA-N 0 3 317.820 2.305 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C[C@@H](C)O2 ZINC001098627519 778573218 /nfs/dbraw/zinc/57/32/18/778573218.db2.gz UAEWSFSJKJBGQO-NCOADZHNSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)C1=CCCCCC1 ZINC001126210560 778602731 /nfs/dbraw/zinc/60/27/31/778602731.db2.gz QSNSRWSYSRZLFC-UHFFFAOYSA-N 0 3 321.465 2.007 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC001160913621 791236300 /nfs/dbraw/zinc/23/63/00/791236300.db2.gz UTFCKBFKNLFFQN-VLYAYIKJSA-N 0 3 317.846 2.445 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C)OCC)CC1 ZINC001105389291 779258574 /nfs/dbraw/zinc/25/85/74/779258574.db2.gz MWXAFUSGMUVGKD-NVXWUHKLSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)[C@@H]2C1 ZINC001075811855 779348190 /nfs/dbraw/zinc/34/81/90/779348190.db2.gz INWFDVUNMQGGTD-OWCLPIDISA-N 0 3 316.449 2.115 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)[C@H]1CC ZINC001087605827 779374323 /nfs/dbraw/zinc/37/43/23/779374323.db2.gz DHRBWBACHYNWFQ-GXTWGEPZSA-N 0 3 314.389 2.037 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ocnc2C(F)F)[C@H]1CC ZINC001087727934 779426290 /nfs/dbraw/zinc/42/62/90/779426290.db2.gz URHMUXDTNMRYCB-WDEREUQCSA-N 0 3 311.332 2.218 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2F)[C@H]1CC ZINC001087741981 779432643 /nfs/dbraw/zinc/43/26/43/779432643.db2.gz LZFFPWKZLGIUOF-JKSUJKDBSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001073517674 790710723 /nfs/dbraw/zinc/71/07/23/790710723.db2.gz VYMBJVTUPWTLBH-INIZCTEOSA-N 0 3 302.418 2.392 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2csc(CC)n2)[C@H]1CC ZINC001087839617 779479328 /nfs/dbraw/zinc/47/93/28/779479328.db2.gz LDQKVZNSZBEMDG-UONOGXRCSA-N 0 3 307.463 2.403 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001073535030 790715838 /nfs/dbraw/zinc/71/58/38/790715838.db2.gz AVTBZEMHKPTUAQ-GFCCVEGCSA-N 0 3 312.797 2.330 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@@H]2C1 ZINC001087984112 779592594 /nfs/dbraw/zinc/59/25/94/779592594.db2.gz JQOBRYQKKHGZBQ-KGLIPLIRSA-N 0 3 311.385 2.178 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)ccc3OC)C[C@@H]2C1 ZINC001088031790 779646953 /nfs/dbraw/zinc/64/69/53/779646953.db2.gz LHVKDWCITCDPQK-CVEARBPZSA-N 0 3 312.413 2.031 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001073574335 790724511 /nfs/dbraw/zinc/72/45/11/790724511.db2.gz PMWDPKCSOQWCJO-HNNXBMFYSA-N 0 3 306.406 2.293 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(F)c(C)c3)C[C@@H]2C1 ZINC001088086776 779691709 /nfs/dbraw/zinc/69/17/09/779691709.db2.gz WEUYCLIJGRMKMG-CVEARBPZSA-N 0 3 300.377 2.161 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)o3)C[C@@H]2C1 ZINC001088133199 779719730 /nfs/dbraw/zinc/71/97/30/779719730.db2.gz WJFHNMXSPGNORE-ZACQAIPSSA-N 0 3 314.429 2.495 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4ccncc43)C[C@@H]2C1 ZINC001088157328 779735711 /nfs/dbraw/zinc/73/57/11/779735711.db2.gz JBXRCJUFCWQEEI-SJORKVTESA-N 0 3 319.408 2.262 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001073601124 790732603 /nfs/dbraw/zinc/73/26/03/790732603.db2.gz GRCCCIRXWHDXDY-IRXDYDNUSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cncc4ccccc43)C[C@@H]2C1 ZINC001088209934 779774714 /nfs/dbraw/zinc/77/47/14/779774714.db2.gz 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780254003 /nfs/dbraw/zinc/25/40/03/780254003.db2.gz CJAMXXFTQSAHQA-WBVHZDCISA-N 0 3 324.428 2.462 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001073687579 790793445 /nfs/dbraw/zinc/79/34/45/790793445.db2.gz VUKNBIDKUANFOE-INIZCTEOSA-N 0 3 318.417 2.049 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1C ZINC001088564706 780486532 /nfs/dbraw/zinc/48/65/32/780486532.db2.gz GTISDENATONMRD-OCCSQVGLSA-N 0 3 303.406 2.322 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4nc(C)oc4c3)[C@@H]2C1 ZINC001075910636 780564198 /nfs/dbraw/zinc/56/41/98/780564198.db2.gz DOBGQGBBEVRULL-DOTOQJQBSA-N 0 3 323.396 2.306 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C3CC3)nn2C)[C@H]1C ZINC001088598584 780568165 /nfs/dbraw/zinc/56/81/65/780568165.db2.gz XMEZVXRDZLFXPO-OCCSQVGLSA-N 0 3 302.422 2.066 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)COC(C)C)[C@H](OC)C1 ZINC001211991289 780570553 /nfs/dbraw/zinc/57/05/53/780570553.db2.gz ZIFGTOYZZLTQPG-HZPDHXFCSA-N 0 3 314.470 2.197 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cncc(F)c2)[C@H](OC)C1 ZINC001212100244 780637475 /nfs/dbraw/zinc/63/74/75/780637475.db2.gz HOTBECKUPMIWOC-APHBMKBZSA-N 0 3 321.396 2.004 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OCC=C)cc2)[C@H]1C ZINC001088672171 780704235 /nfs/dbraw/zinc/70/42/35/780704235.db2.gz RJPLLRIGRRFXDB-QAPCUYQASA-N 0 3 312.413 2.467 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(=C)C)CCCO2)cc1 ZINC001073724500 790816809 /nfs/dbraw/zinc/81/68/09/790816809.db2.gz XNMABXUFEFRCSU-GOSISDBHSA-N 0 3 312.413 2.065 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001059979381 780788235 /nfs/dbraw/zinc/78/82/35/780788235.db2.gz SZYRVVNUWPPIAO-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2COc3ccccc3C2)[C@H]1C ZINC001088723625 780917657 /nfs/dbraw/zinc/91/76/57/780917657.db2.gz MDUJNUKBBCZFNV-PVAVHDDUSA-N 0 3 314.429 2.393 20 30 DEEDHN O=C(C#CC1CC1)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001126875904 781013102 /nfs/dbraw/zinc/01/31/02/781013102.db2.gz RGFJRMUXDXHODQ-MRXNPFEDSA-N 0 3 304.340 2.071 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCNCc1cnn(-c2ccccc2)c1 ZINC001126908033 781063390 /nfs/dbraw/zinc/06/33/90/781063390.db2.gz ZSYUWPDFPKXGKO-UHFFFAOYSA-N 0 3 324.428 2.128 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC001076233212 781178051 /nfs/dbraw/zinc/17/80/51/781178051.db2.gz WDJJBIHFUIVIEH-PKOBYXMFSA-N 0 3 323.440 2.395 20 30 DEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3ocnc3C(F)F)[C@@H]2C1 ZINC001076251624 781186046 /nfs/dbraw/zinc/18/60/46/781186046.db2.gz NRYPYKDOMBUPMU-WDEREUQCSA-N 0 3 311.332 2.335 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(CCC)on3)[C@@H]2C1 ZINC001076416343 781256100 /nfs/dbraw/zinc/25/61/00/781256100.db2.gz FFJBJMSNKLVKOJ-XJKSGUPXSA-N 0 3 303.406 2.350 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3oc(CCC)nc3C)[C@@H]2C1 ZINC001076464608 781275762 /nfs/dbraw/zinc/27/57/62/781275762.db2.gz SOUREIMMBHACMR-LSDHHAIUSA-N 0 3 315.417 2.105 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cccc(C)c3)[C@@H]2C1 ZINC001076563583 781310052 /nfs/dbraw/zinc/31/00/52/781310052.db2.gz BHANZXAGXUNAMF-DOTOQJQBSA-N 0 3 300.402 2.093 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc4ccccc4n3C)[C@@H]2C1 ZINC001076620917 781327045 /nfs/dbraw/zinc/32/70/45/781327045.db2.gz XJYLMGSOMKKQHP-QFBILLFUSA-N 0 3 323.440 2.440 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001077151056 781503160 /nfs/dbraw/zinc/50/31/60/781503160.db2.gz BTJVGTDSVQEWJL-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cc1ccccc1)C(=O)N(CCOC)C1CCN(C)CC1 ZINC001144395984 790893741 /nfs/dbraw/zinc/89/37/41/790893741.db2.gz SAHGNNKIIOWHDQ-UHFFFAOYSA-N 0 3 316.445 2.355 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCNC[C@@H](F)CC)cc1 ZINC001127014522 781622058 /nfs/dbraw/zinc/62/20/58/781622058.db2.gz KNVSYPSEXBQRED-HNNXBMFYSA-N 0 3 306.381 2.156 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001073821281 790899904 /nfs/dbraw/zinc/89/99/04/790899904.db2.gz FIPWSSKQTXRQGK-HNNXBMFYSA-N 0 3 308.447 2.453 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H]1c2ccccc2CNC1=O ZINC001171189158 790920118 /nfs/dbraw/zinc/92/01/18/790920118.db2.gz BVARNWGNUHKCII-UGSOOPFHSA-N 0 3 305.381 2.450 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C[C@@H]1C ZINC000947853699 783248003 /nfs/dbraw/zinc/24/80/03/783248003.db2.gz UZIHIMLPCORJDI-GOEBONIOSA-N 0 3 316.449 2.208 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)C[C@H]1C ZINC000947862267 783248740 /nfs/dbraw/zinc/24/87/40/783248740.db2.gz SDKGFEOCEGCQRP-WBVHZDCISA-N 0 3 316.449 2.145 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@@H]1C ZINC000947857110 783249741 /nfs/dbraw/zinc/24/97/41/783249741.db2.gz GNIPZHKZHANFGA-XJKSGUPXSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C ZINC000947967423 783279589 /nfs/dbraw/zinc/27/95/89/783279589.db2.gz OUEVSBPOIHCJES-GOEBONIOSA-N 0 3 309.413 2.313 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2OC)C[C@@H]1C ZINC000947970747 783281124 /nfs/dbraw/zinc/28/11/24/783281124.db2.gz BBFLSBNHLWMYFQ-KBPBESRZSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001089625091 783290215 /nfs/dbraw/zinc/29/02/15/783290215.db2.gz JWLZCSDDQLDCPI-INIZCTEOSA-N 0 3 317.408 2.464 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(COC)cc2)C[C@H]1C ZINC000948027393 783296860 /nfs/dbraw/zinc/29/68/60/783296860.db2.gz WROANJYNWYZEBK-PBHICJAKSA-N 0 3 300.402 2.049 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cn2ccc3ccccc32)C[C@@H]1C ZINC000948036182 783299828 /nfs/dbraw/zinc/29/98/28/783299828.db2.gz OVYGRZZSDWZOPY-RDJZCZTQSA-N 0 3 309.413 2.244 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cn2CC)C[C@@H]1C ZINC000948043911 783301911 /nfs/dbraw/zinc/30/19/11/783301911.db2.gz KQSPNAVFTWQCGQ-GXTWGEPZSA-N 0 3 307.825 2.377 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2OCC)C[C@@H]1C ZINC000948108137 783325346 /nfs/dbraw/zinc/32/53/46/783325346.db2.gz ASOJDNLUCGKXIZ-KBPBESRZSA-N 0 3 303.406 2.249 20 30 DEEDHN CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000948201218 783367689 /nfs/dbraw/zinc/36/76/89/783367689.db2.gz ZFELEJCYJNXXFN-OAHLLOKOSA-N 0 3 300.402 2.342 20 30 DEEDHN CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000948201218 783367697 /nfs/dbraw/zinc/36/76/97/783367697.db2.gz ZFELEJCYJNXXFN-OAHLLOKOSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001089722774 783386854 /nfs/dbraw/zinc/38/68/54/783386854.db2.gz CXMMOTWEUBPODT-HNNXBMFYSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001089731942 783395976 /nfs/dbraw/zinc/39/59/76/783395976.db2.gz ILVBVVHTEDGCQQ-CQSZACIVSA-N 0 3 304.438 2.217 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001073883750 790940504 /nfs/dbraw/zinc/94/05/04/790940504.db2.gz WVLJUBVACLMEMU-HNNXBMFYSA-N 0 3 320.458 2.209 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2csnc2C)CC1 ZINC000948306409 783419414 /nfs/dbraw/zinc/41/94/14/783419414.db2.gz GYBYSAAUDUWRAV-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3cccnc3n2)CC1 ZINC000948385942 783449464 /nfs/dbraw/zinc/44/94/64/783449464.db2.gz SCBBUQNVWMNGIK-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H](OC)C1 ZINC001212330549 783458774 /nfs/dbraw/zinc/45/87/74/783458774.db2.gz SLJFSIRTFZFKPT-IAGOWNOFSA-N 0 3 317.433 2.094 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC ZINC001212337233 783467858 /nfs/dbraw/zinc/46/78/58/783467858.db2.gz DECJMZMSLKBJRE-CYZMBNFOSA-N 0 3 320.836 2.329 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOCCOCC)C2 ZINC001111275446 783488742 /nfs/dbraw/zinc/48/87/42/783488742.db2.gz WWSVJHQYJHLIMB-ZACQAIPSSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnc3cnccc3c2)CC1 ZINC000948618045 783530370 /nfs/dbraw/zinc/53/03/70/783530370.db2.gz ZWADIFWSYDUPHO-KRWDZBQOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc3ncccc3o2)CC1 ZINC000948623897 783535395 /nfs/dbraw/zinc/53/53/95/783535395.db2.gz AQVRHQFWWJVLAS-AWEZNQCLSA-N 0 3 311.385 2.388 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001073905115 790950910 /nfs/dbraw/zinc/95/09/10/790950910.db2.gz WAKQZTYQTVFUKX-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)CC1 ZINC001066225365 783571803 /nfs/dbraw/zinc/57/18/03/783571803.db2.gz BUKIGDIKPAVQFJ-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1F ZINC000966140763 783577930 /nfs/dbraw/zinc/57/79/30/783577930.db2.gz CWSOZXJLNHKESM-OAHLLOKOSA-N 0 3 324.359 2.097 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1CC ZINC001085235818 783597307 /nfs/dbraw/zinc/59/73/07/783597307.db2.gz QTLPZWQODOSIJA-HUUCEWRRSA-N 0 3 324.856 2.366 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC000966360106 783642992 /nfs/dbraw/zinc/64/29/92/783642992.db2.gz VQMHSXLRJNEWEH-OCCSQVGLSA-N 0 3 322.840 2.020 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001085335609 783643619 /nfs/dbraw/zinc/64/36/19/783643619.db2.gz FUWNSXLKEFMRDJ-TUVASFSCSA-N 0 3 312.841 2.347 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC000966630496 783715382 /nfs/dbraw/zinc/71/53/82/783715382.db2.gz GYXBALBDWLGWLW-SUMWQHHRSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC000966691876 783734099 /nfs/dbraw/zinc/73/40/99/783734099.db2.gz GFJBMKHWSVVDQZ-KDOFPFPSSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ncc(F)cc2F)C1 ZINC000966908644 783815490 /nfs/dbraw/zinc/81/54/90/783815490.db2.gz UCLBNWRZVZHVNB-FZMZJTMJSA-N 0 3 309.360 2.376 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966916404 783819485 /nfs/dbraw/zinc/81/94/85/783819485.db2.gz SSVRMPVMKFZURU-DYVFJYSZSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1CC ZINC001085616126 783890710 /nfs/dbraw/zinc/89/07/10/783890710.db2.gz DZRCUBRYZLEJME-GFCCVEGCSA-N 0 3 310.829 2.279 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000967156843 783897461 /nfs/dbraw/zinc/89/74/61/783897461.db2.gz PLYVUAHHYJTRDU-UKRRQHHQSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967208988 783905920 /nfs/dbraw/zinc/90/59/20/783905920.db2.gz SKOHYVFHANSLEQ-RHSMWYFYSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC000967257409 783912748 /nfs/dbraw/zinc/91/27/48/783912748.db2.gz MSFWOTRUZLVFLL-QWHCGFSZSA-N 0 3 307.394 2.090 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn2ccc(C)cc12 ZINC001085654511 783931040 /nfs/dbraw/zinc/93/10/40/783931040.db2.gz QTEOWPLVRHNBRM-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1CC ZINC001085679868 783957830 /nfs/dbraw/zinc/95/78/30/783957830.db2.gz SFEMEIBHLHUWOS-CQSZACIVSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC000967413720 783989618 /nfs/dbraw/zinc/98/96/18/783989618.db2.gz FDVPRAGMXWINBN-IUODEOHRSA-N 0 3 319.474 2.152 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712884 783994610 /nfs/dbraw/zinc/99/46/10/783994610.db2.gz WBKVFUCJFRYZMV-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034928 784210539 /nfs/dbraw/zinc/21/05/39/784210539.db2.gz JPPFFZQHPLUKLG-DYVFJYSZSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000968063776 784217011 /nfs/dbraw/zinc/21/70/11/784217011.db2.gz YVVWZTLJCVEIRC-WFASDCNBSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085985345 784287577 /nfs/dbraw/zinc/28/75/77/784287577.db2.gz ZTMNNXRWXYAISQ-GOSISDBHSA-N 0 3 315.461 2.471 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cn1 ZINC001085992443 784291525 /nfs/dbraw/zinc/29/15/25/784291525.db2.gz KJCFAZONFXSFSF-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001086005211 784305777 /nfs/dbraw/zinc/30/57/77/784305777.db2.gz ZNAYOQAEHOANHP-IRXDYDNUSA-N 0 3 314.429 2.407 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC001086006789 784310645 /nfs/dbraw/zinc/31/06/45/784310645.db2.gz NYCMTICYRVNFOM-GFCCVEGCSA-N 0 3 315.373 2.256 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC000968353367 784315877 /nfs/dbraw/zinc/31/58/77/784315877.db2.gz FBOVDCPMSGHKDT-DOMZBBRYSA-N 0 3 305.809 2.199 20 30 DEEDHN Cc1[nH]ccc1C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000968360299 784321749 /nfs/dbraw/zinc/32/17/49/784321749.db2.gz UBTPSHGYNPDPLS-GFCCVEGCSA-N 0 3 314.414 2.261 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968378447 784339884 /nfs/dbraw/zinc/33/98/84/784339884.db2.gz PXVDAUNBTCPXBM-HZPDHXFCSA-N 0 3 318.465 2.409 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3nccnc32)C1 ZINC000968471778 784405542 /nfs/dbraw/zinc/40/55/42/784405542.db2.gz KUWRQYMMHYIIRJ-RHSMWYFYSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC000968480469 784410245 /nfs/dbraw/zinc/41/02/45/784410245.db2.gz MKAZJFLUUFGUFO-NVXWUHKLSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968602620 784494590 /nfs/dbraw/zinc/49/45/90/784494590.db2.gz RUXJBELKBYKBIV-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001086232858 784508283 /nfs/dbraw/zinc/50/82/83/784508283.db2.gz CWTJMDSHBQRUEB-JGZJWPJOSA-N 0 3 318.755 2.129 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001086237623 784511698 /nfs/dbraw/zinc/51/16/98/784511698.db2.gz LDSLZSZMSCQILI-BETUJISGSA-N 0 3 323.824 2.478 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001086242058 784517814 /nfs/dbraw/zinc/51/78/14/784517814.db2.gz ZOIZIIHXLZKXAV-BETUJISGSA-N 0 3 323.824 2.200 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC000968660747 784526754 /nfs/dbraw/zinc/52/67/54/784526754.db2.gz NOOGHQHCMGZZGW-GOEBONIOSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC000968660746 784526899 /nfs/dbraw/zinc/52/68/99/784526899.db2.gz NOOGHQHCMGZZGW-GDBMZVCRSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC000968677829 784534586 /nfs/dbraw/zinc/53/45/86/784534586.db2.gz JPBYMXLQGCGNOT-UKRRQHHQSA-N 0 3 319.474 2.098 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001086343429 784605982 /nfs/dbraw/zinc/60/59/82/784605982.db2.gz CCSMQIOMFZMUQU-SRVKXCTJSA-N 0 3 315.255 2.426 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC000968858113 784622738 /nfs/dbraw/zinc/62/27/38/784622738.db2.gz BDMLVDABLSVAQW-CVEARBPZSA-N 0 3 316.449 2.376 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCCN1CC#CC ZINC000968861847 784624406 /nfs/dbraw/zinc/62/44/06/784624406.db2.gz UEFQJFVBSVAKPB-KURKYZTESA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC000968873800 784630926 /nfs/dbraw/zinc/63/09/26/784630926.db2.gz DHSMHUOTYAHXSA-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC000968877241 784633305 /nfs/dbraw/zinc/63/33/05/784633305.db2.gz QQDWAKAGHGJUDB-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC001086376614 784633612 /nfs/dbraw/zinc/63/36/12/784633612.db2.gz VBUWETCPLBIHRI-MGCOHNPYSA-N 0 3 318.755 2.129 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC000968888447 784638005 /nfs/dbraw/zinc/63/80/05/784638005.db2.gz VENCHZWLAWYJFD-CQSZACIVSA-N 0 3 319.453 2.194 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC000968914392 784647033 /nfs/dbraw/zinc/64/70/33/784647033.db2.gz SWAGKMTYBHRMQC-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC000968925951 784654888 /nfs/dbraw/zinc/65/48/88/784654888.db2.gz QLZZGBCXMKAFTN-HNNXBMFYSA-N 0 3 324.428 2.479 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn(C)c1CC ZINC000968931195 784657162 /nfs/dbraw/zinc/65/71/62/784657162.db2.gz ISISWGSPRWGHKH-CQSZACIVSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(COC)on1 ZINC000969060396 784709934 /nfs/dbraw/zinc/70/99/34/784709934.db2.gz ZXTAKPNQCWNTGN-AWEZNQCLSA-N 0 3 321.421 2.372 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(CC)nnc2C)C1 ZINC001086438408 784734329 /nfs/dbraw/zinc/73/43/29/784734329.db2.gz OOYHBJMIUPHZJV-MQMHXKEQSA-N 0 3 322.840 2.198 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC001086439654 784735022 /nfs/dbraw/zinc/73/50/22/784735022.db2.gz OAIHHLFZFIEECY-AULYBMBSSA-N 0 3 324.808 2.203 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001007621487 784963702 /nfs/dbraw/zinc/96/37/02/784963702.db2.gz XTTRBQXNJKYROZ-CQSZACIVSA-N 0 3 319.836 2.190 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC001007704395 784981059 /nfs/dbraw/zinc/98/10/59/784981059.db2.gz JMMZCPLBFIDQDC-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H](Oc2cnccn2)C1 ZINC001171230126 791072981 /nfs/dbraw/zinc/07/29/81/791072981.db2.gz AWIXPIJVQLBGEL-RHSMWYFYSA-N 0 3 308.385 2.433 20 30 DEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001171232450 791078126 /nfs/dbraw/zinc/07/81/26/791078126.db2.gz SLWHGWPCOLLHDL-RHSMWYFYSA-N 0 3 314.433 2.225 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001007990477 785068474 /nfs/dbraw/zinc/06/84/74/785068474.db2.gz NXAGIJOCLPGEHN-AWEZNQCLSA-N 0 3 307.463 2.459 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)CCn1cccc1 ZINC001169185651 785078170 /nfs/dbraw/zinc/07/81/70/785078170.db2.gz ZNXYATVSWVICIC-UHFFFAOYSA-N 0 3 310.401 2.046 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001008115709 785111534 /nfs/dbraw/zinc/11/15/34/785111534.db2.gz WHENHSCYDSUHHG-QGZVFWFLSA-N 0 3 314.429 2.321 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001008877139 785320054 /nfs/dbraw/zinc/32/00/54/785320054.db2.gz QBCBWRFSBINMMM-KRWDZBQOSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001008878683 785320848 /nfs/dbraw/zinc/32/08/48/785320848.db2.gz YLEWJBXUDHQTJB-YOEHRIQHSA-N 0 3 312.413 2.228 20 30 DEEDHN Cc1csc(CNCCCC[C@@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001169846379 785386075 /nfs/dbraw/zinc/38/60/75/785386075.db2.gz CJFBRJNVSPWGPP-NWDGAFQWSA-N 0 3 308.451 2.376 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001009331718 785431748 /nfs/dbraw/zinc/43/17/48/785431748.db2.gz XSBYDUSAURPXBL-SFHVURJKSA-N 0 3 314.429 2.416 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001009524836 785472184 /nfs/dbraw/zinc/47/21/84/785472184.db2.gz PWFAHEQHNISTOK-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c[nH]c3ncccc23)C1 ZINC001091369558 791123826 /nfs/dbraw/zinc/12/38/26/791123826.db2.gz YIJYKTBDPHKQLC-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001091372588 791125656 /nfs/dbraw/zinc/12/56/56/791125656.db2.gz ROKOQVVCGYBGNR-UHFFFAOYSA-N 0 3 323.824 2.255 20 30 DEEDHN N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001108951897 785641356 /nfs/dbraw/zinc/64/13/56/785641356.db2.gz JVTUIWDJYINBKV-RDBSUJKOSA-N 0 3 313.442 2.104 20 30 DEEDHN CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109262669 785790450 /nfs/dbraw/zinc/79/04/50/785790450.db2.gz PKYGRIMSILQBPK-PMPSAXMXSA-N 0 3 306.450 2.184 20 30 DEEDHN Cc1ccc(CCN2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001010457530 785810388 /nfs/dbraw/zinc/81/03/88/785810388.db2.gz MLGLHOUQTTUACV-QGZVFWFLSA-N 0 3 322.412 2.242 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCCCC1)C2 ZINC001109477168 785893723 /nfs/dbraw/zinc/89/37/23/785893723.db2.gz HKHWIYGXXDOEIF-PVAVHDDUSA-N 0 3 304.434 2.081 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC=C)CCOCC1)C2 ZINC001110047037 786140777 /nfs/dbraw/zinc/14/07/77/786140777.db2.gz JPRKODMIGDDNIZ-IKGGRYGDSA-N 0 3 316.445 2.104 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2cnn(C)c2C)CC1 ZINC001112894856 786279741 /nfs/dbraw/zinc/27/97/41/786279741.db2.gz PGAPNMZGTCXAEU-HNNXBMFYSA-N 0 3 318.465 2.160 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccc(F)cc31)C2 ZINC001095925594 786398752 /nfs/dbraw/zinc/39/87/52/786398752.db2.gz HZCNSGKQMOAZMV-UBDQQSCGSA-N 0 3 312.388 2.210 20 30 DEEDHN COCCN(C(=O)Nc1cccc(C#N)c1)C1CCN(C)CC1 ZINC001202783781 786489596 /nfs/dbraw/zinc/48/95/96/786489596.db2.gz JPWYGXSRAURFSO-UHFFFAOYSA-N 0 3 316.405 2.133 20 30 DEEDHN C=CCc1c(F)c(F)c(C(=O)N2C[C@@H](F)[C@@H](N)C2)c(F)c1F ZINC001157555378 786596741 /nfs/dbraw/zinc/59/67/41/786596741.db2.gz GCPRNZKEPPMBLP-SFYZADRCSA-N 0 3 320.261 2.093 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC001113546786 786677421 /nfs/dbraw/zinc/67/74/21/786677421.db2.gz LKKZGASHQDPYPF-OAHLLOKOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C[C@@H](C)OC)C2)cc1 ZINC001014981162 786839930 /nfs/dbraw/zinc/83/99/30/786839930.db2.gz PYSRJMKVQUEQJT-GDBMZVCRSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC001170265109 786882173 /nfs/dbraw/zinc/88/21/73/786882173.db2.gz AXPPRGPWPKIPND-UONOGXRCSA-N 0 3 302.846 2.286 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114160352 787132558 /nfs/dbraw/zinc/13/25/58/787132558.db2.gz WOENWBSQXAEGCN-RUYXUALKSA-N 0 3 321.424 2.298 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114162217 787135385 /nfs/dbraw/zinc/13/53/85/787135385.db2.gz RKKORSOYKWBCDA-DZFIZOCASA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001015637769 787150971 /nfs/dbraw/zinc/15/09/71/787150971.db2.gz RTBBXJZMDWVAJC-OAHLLOKOSA-N 0 3 309.413 2.233 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(F)cc(OC)cc2F)C1 ZINC001015737328 787208705 /nfs/dbraw/zinc/20/87/05/787208705.db2.gz GUIHVTQVQDADIH-LLVKDONJSA-N 0 3 310.344 2.354 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1CN(C)C)C2 ZINC001095931723 787282890 /nfs/dbraw/zinc/28/28/90/787282890.db2.gz MJUBXSVGVZDWIR-PMPSAXMXSA-N 0 3 317.433 2.252 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)CCCOC ZINC001170476764 787288114 /nfs/dbraw/zinc/28/81/14/787288114.db2.gz LKODTPFVYQJLHK-LLVKDONJSA-N 0 3 321.259 2.054 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(C)(F)F)C1 ZINC001130423548 787387193 /nfs/dbraw/zinc/38/71/93/787387193.db2.gz RYJHPQBHOGONRA-LLVKDONJSA-N 0 3 312.364 2.047 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1F ZINC001130540099 787426101 /nfs/dbraw/zinc/42/61/01/787426101.db2.gz XAPYYPHWUUUOTB-RBSFLKMASA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1c1cn(C)cn1 ZINC001130649458 787449532 /nfs/dbraw/zinc/44/95/32/787449532.db2.gz MTHUGUJJMHDWDU-DOTOQJQBSA-N 0 3 316.449 2.070 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130664698 787452494 /nfs/dbraw/zinc/45/24/94/787452494.db2.gz YAEOZKDAIAYUAF-GOEBONIOSA-N 0 3 318.465 2.316 20 30 DEEDHN COCC#CCNCCNC(=O)c1cc2ccc(F)cc2s1 ZINC001130956458 787510231 /nfs/dbraw/zinc/51/02/31/787510231.db2.gz XSTHLEOQIKDUFU-UHFFFAOYSA-N 0 3 320.389 2.010 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C(C)=C\CC)C[C@H](C)O2 ZINC001131652024 787673075 /nfs/dbraw/zinc/67/30/75/787673075.db2.gz FBWICMWDBIDRHV-QOQSIOTLSA-N 0 3 304.434 2.058 20 30 DEEDHN CC(C)=CCN1CC[C@@]2(C1)CN(C(=O)C#CC(C)C)C[C@@H](C)O2 ZINC001131661204 787673238 /nfs/dbraw/zinc/67/32/38/787673238.db2.gz KUNGMUTWFTZCDE-IEBWSBKVSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C/C=C(/C)C=C)C[C@H](C)O2 ZINC001131678248 787689187 /nfs/dbraw/zinc/68/91/87/787689187.db2.gz WEZDFBHIUOJENP-LMEZIFLKSA-N 0 3 316.445 2.224 20 30 DEEDHN COCC#CCNCCNC(=O)c1coc2cc(C)c(C)cc12 ZINC001131828662 787763784 /nfs/dbraw/zinc/76/37/84/787763784.db2.gz ZFBPKDJXVGVYKU-UHFFFAOYSA-N 0 3 314.385 2.019 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CCOCC1)C2 ZINC001096674924 787791356 /nfs/dbraw/zinc/79/13/56/787791356.db2.gz QXVHBGSWCDGLNJ-ORQFMDKSSA-N 0 3 306.450 2.347 20 30 DEEDHN COCC#CCNCCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001131898252 787791669 /nfs/dbraw/zinc/79/16/69/787791669.db2.gz GPKRYZOXZITUPG-UHFFFAOYSA-N 0 3 308.466 2.195 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C/c2ccc[nH]2)CC[C@H]1C ZINC001131999552 787872089 /nfs/dbraw/zinc/87/20/89/787872089.db2.gz QSUQRNVMJDIXJD-PJZFAXFVSA-N 0 3 317.433 2.200 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCC(C)C)C1 ZINC001132003235 787877539 /nfs/dbraw/zinc/87/75/39/787877539.db2.gz RPAWNMYTBVJGQM-DLBZAZTESA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCOCC=C)C2)CCC1 ZINC001132100903 787926747 /nfs/dbraw/zinc/92/67/47/787926747.db2.gz CQMOGELNZDAWPF-DLBZAZTESA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)CC[C@H]1C ZINC001132127877 787939390 /nfs/dbraw/zinc/93/93/90/787939390.db2.gz FRRLWPAXCUWYDM-HZPDHXFCSA-N 0 3 319.449 2.417 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2nc(C(C)C)no2)CC[C@H]1C ZINC001132215000 787969605 /nfs/dbraw/zinc/96/96/05/787969605.db2.gz QCDPXQSHQYCCBZ-KGLIPLIRSA-N 0 3 320.437 2.281 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCc2ccnn2C)C1 ZINC001132256244 787993048 /nfs/dbraw/zinc/99/30/48/787993048.db2.gz LHJMHTMUEQPZGF-CVEARBPZSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132316070 788024573 /nfs/dbraw/zinc/02/45/73/788024573.db2.gz YSPQNYUKVWUDKE-GJZGRUSLSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCCCCCN1C[C@H](NC(=O)c2cnon2)CC[C@H]1C ZINC001132368693 788045455 /nfs/dbraw/zinc/04/54/55/788045455.db2.gz PNIGIBJMXKCIAM-ZIAGYGMSSA-N 0 3 306.410 2.399 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CNC(=O)CCC(C)C)CC[C@H]1C ZINC001132359926 788046417 /nfs/dbraw/zinc/04/64/17/788046417.db2.gz PZPXAJCYEQSXRO-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001132395692 788054467 /nfs/dbraw/zinc/05/44/67/788054467.db2.gz LHXMAKSMRFVSIB-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCOC2CCOCC2)CC[C@@H]1C ZINC001132417096 788067260 /nfs/dbraw/zinc/06/72/60/788067260.db2.gz RNHIRQGFGMJNGL-HOTGVXAUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCCNC(C)=O)CC[C@@H]1C ZINC001132472537 788091508 /nfs/dbraw/zinc/09/15/08/788091508.db2.gz IKIBMNVXEPRXRO-RDJZCZTQSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COCc2ccccc2)CC[C@@H]1C ZINC001132479153 788096034 /nfs/dbraw/zinc/09/60/34/788096034.db2.gz WDLOFYHNUZZKQZ-WMZOPIPTSA-N 0 3 314.429 2.196 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCn2ccnc2)CC[C@@H]1C ZINC001132546542 788121279 /nfs/dbraw/zinc/12/12/79/788121279.db2.gz NSRXOBLZBUXAFX-HOTGVXAUSA-N 0 3 304.438 2.209 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CN(C)c2ccccc2)CC[C@H]1C ZINC001132548476 788127262 /nfs/dbraw/zinc/12/72/62/788127262.db2.gz DCQPIVVMMZZEFM-HZPDHXFCSA-N 0 3 301.434 2.278 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)n3ccccc13)C2 ZINC001097539593 788129430 /nfs/dbraw/zinc/12/94/30/788129430.db2.gz BWQLFRKNOKEJKX-OAGGEKHMSA-N 0 3 322.412 2.001 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001132663044 788159278 /nfs/dbraw/zinc/15/92/78/788159278.db2.gz OTZPUCUWLVPRBX-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](C)[C@@H](CNCc2nccs2)C1 ZINC001132810503 788199027 /nfs/dbraw/zinc/19/90/27/788199027.db2.gz XSTUTQKPCARCGT-GJZGRUSLSA-N 0 3 319.474 2.377 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccncc1Cl)C2 ZINC001097854346 788252877 /nfs/dbraw/zinc/25/28/77/788252877.db2.gz DSHVYCZVOZKCOZ-BMFZPTHFSA-N 0 3 317.820 2.022 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1Cc3ccccc3C1)C2 ZINC001097911111 788270617 /nfs/dbraw/zinc/27/06/17/788270617.db2.gz APFMDRPBAIBSBD-QRVBRYPASA-N 0 3 308.425 2.146 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2[nH]c(C)cc2C)CC1 ZINC001137332570 788306227 /nfs/dbraw/zinc/30/62/27/788306227.db2.gz ZLJHZWXMFBTWEO-UHFFFAOYSA-N 0 3 316.493 2.423 20 30 DEEDHN CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](CNCC#N)C1 ZINC001133185298 788310636 /nfs/dbraw/zinc/31/06/36/788310636.db2.gz AXILFSHNNUNQRC-SJORKVTESA-N 0 3 322.497 2.096 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)COC ZINC001133388080 788397495 /nfs/dbraw/zinc/39/74/95/788397495.db2.gz ASLMEOYWYKNKOI-AWEZNQCLSA-N 0 3 322.836 2.174 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(Cl)n1C ZINC001133889438 788659245 /nfs/dbraw/zinc/65/92/45/788659245.db2.gz WOKGWUGYFXQJPK-NWDGAFQWSA-N 0 3 312.845 2.413 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001133910178 788668097 /nfs/dbraw/zinc/66/80/97/788668097.db2.gz WRVNNRRHMZDIFZ-FYLRKMKASA-N 0 3 309.237 2.381 20 30 DEEDHN Cc1ncoc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328222 788874705 /nfs/dbraw/zinc/87/47/05/788874705.db2.gz AAZKYNYJEKUURJ-STQMWFEESA-N 0 3 305.422 2.405 20 30 DEEDHN CCc1nocc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001134330288 788876899 /nfs/dbraw/zinc/87/68/99/788876899.db2.gz XVXWLAMLNDBGBK-STQMWFEESA-N 0 3 303.406 2.023 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)s2)c(C)[nH]1 ZINC001134423436 788913082 /nfs/dbraw/zinc/91/30/82/788913082.db2.gz GGQMGUKVSOJUSC-UHFFFAOYSA-N 0 3 302.403 2.084 20 30 DEEDHN C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134408488 788916399 /nfs/dbraw/zinc/91/63/99/788916399.db2.gz MWGLHBOQJXZOPW-NEPJUHHUSA-N 0 3 301.394 2.021 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)n(C)n1 ZINC001134471840 788948661 /nfs/dbraw/zinc/94/86/61/788948661.db2.gz YOOGVRDQAMYFDZ-KBPBESRZSA-N 0 3 306.454 2.458 20 30 DEEDHN C[C@H](CCCCNCC#N)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770420 789078962 /nfs/dbraw/zinc/07/89/62/789078962.db2.gz WIGGJIJTFNPBIM-OAHLLOKOSA-N 0 3 308.470 2.039 20 30 DEEDHN Cc1ccc([C@@H](C)C(=O)NCCNCc2cccc(C#N)c2)o1 ZINC001134954046 789138592 /nfs/dbraw/zinc/13/85/92/789138592.db2.gz PEEPRWXWIUTKDL-CQSZACIVSA-N 0 3 311.385 2.469 20 30 DEEDHN C[C@H](Cc1ccco1)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135183170 789235566 /nfs/dbraw/zinc/23/55/66/789235566.db2.gz KLTAAUSPJXLNGK-CQSZACIVSA-N 0 3 311.385 2.236 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001135238043 789255678 /nfs/dbraw/zinc/25/56/78/789255678.db2.gz JIVKLIGUOYNEFP-CABCVRRESA-N 0 3 318.465 2.295 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccc(OC)nn1 ZINC001135229987 789258539 /nfs/dbraw/zinc/25/85/39/789258539.db2.gz HLGPIWVZBMULGL-STQMWFEESA-N 0 3 320.437 2.070 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccnc(OC)n1 ZINC001135230343 789260195 /nfs/dbraw/zinc/26/01/95/789260195.db2.gz LWYQUUULEZFNMS-STQMWFEESA-N 0 3 320.437 2.070 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2cnns2)C1 ZINC001135426296 789336343 /nfs/dbraw/zinc/33/63/43/789336343.db2.gz BWESRWGVXGGXSL-VXGBXAGGSA-N 0 3 308.451 2.267 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001086770986 789492669 /nfs/dbraw/zinc/49/26/69/789492669.db2.gz LKVYFMLNCMHVNS-UONOGXRCSA-N 0 3 324.856 2.278 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccoc1C)C[C@H](C)O2 ZINC001071129749 789543132 /nfs/dbraw/zinc/54/31/32/789543132.db2.gz QRVHAUQKVQXJEQ-KSSFIOAISA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1CCCCC1)C[C@H](C)O2 ZINC001071129876 789543650 /nfs/dbraw/zinc/54/36/50/789543650.db2.gz SJAQTFPBFIBRGX-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccc(C)o1)C[C@H](C)O2 ZINC001071131746 789546347 /nfs/dbraw/zinc/54/63/47/789546347.db2.gz LUCMCQPVZQHRIQ-YJBOKZPZSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccc(C)o1)C[C@@H](C)O2 ZINC001071131745 789547067 /nfs/dbraw/zinc/54/70/67/789547067.db2.gz LUCMCQPVZQHRIQ-QAPCUYQASA-N 0 3 318.417 2.470 20 30 DEEDHN C#CCSCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001135926963 789563428 /nfs/dbraw/zinc/56/34/28/789563428.db2.gz WVLPKEJJVCSYAI-MRXNPFEDSA-N 0 3 304.459 2.334 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@H](C)O2 ZINC001071171333 789575618 /nfs/dbraw/zinc/57/56/18/789575618.db2.gz LOBJGAAQAZYLQJ-LPHOPBHVSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1(C3CC3)CC1)C[C@H](C)O2 ZINC001071178519 789578518 /nfs/dbraw/zinc/57/85/18/789578518.db2.gz QVKNIOJNQOJSKB-MAUKXSAKSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001071210744 789596157 /nfs/dbraw/zinc/59/61/57/789596157.db2.gz NXJPUJQGNNXCHW-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN CC(C)[C@H]1C[C@@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001136062374 789607516 /nfs/dbraw/zinc/60/75/16/789607516.db2.gz ZLBYRAIUARIYHN-CABCVRRESA-N 0 3 303.381 2.195 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)CC[C@@H]1C ZINC001071505436 789748227 /nfs/dbraw/zinc/74/82/27/789748227.db2.gz VXGCBPJMUGZJOQ-GJZGRUSLSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@@H]1C ZINC001071517951 789755035 /nfs/dbraw/zinc/75/50/35/789755035.db2.gz LTABYGGHVVGGFR-UONOGXRCSA-N 0 3 316.449 2.313 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)CC[C@H]1C ZINC001071576764 789789750 /nfs/dbraw/zinc/78/97/50/789789750.db2.gz PBHKEQKXKWGOPQ-MNOVXSKESA-N 0 3 310.829 2.394 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001071609276 789811217 /nfs/dbraw/zinc/81/12/17/789811217.db2.gz IIZWJUJTKGXJFJ-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3n[nH]cc32)CC[C@@H]1C ZINC001071727631 789891203 /nfs/dbraw/zinc/89/12/03/789891203.db2.gz BAVUZLXTBMRMLJ-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3c[nH]nc32)CC[C@@H]1C ZINC001071731538 789894250 /nfs/dbraw/zinc/89/42/50/789894250.db2.gz GBZJOBGKROFHIR-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)c(OC)c2)CC[C@@H]1C ZINC001071836062 789936754 /nfs/dbraw/zinc/93/67/54/789936754.db2.gz SITLMYKITMJGRA-DZGCQCFKSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(CCC)c2C)CC[C@@H]1C ZINC001071931368 789976907 /nfs/dbraw/zinc/97/69/07/789976907.db2.gz UKLSDKRRJCHEFG-GOEBONIOSA-N 0 3 316.449 2.208 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(CC)c2C)CC[C@H]1C ZINC001071931356 789977136 /nfs/dbraw/zinc/97/71/36/789977136.db2.gz TWZTUIUIVMXJHJ-HIFRSBDPSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)CC[C@H]1C ZINC001071940181 789980285 /nfs/dbraw/zinc/98/02/85/789980285.db2.gz WERKQGBOYRVZCG-CJNGLKHVSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccccc2F)CC[C@H]1C ZINC001072034462 790023673 /nfs/dbraw/zinc/02/36/73/790023673.db2.gz YYPMVJWBADPBBS-ZBFHGGJFSA-N 0 3 302.393 2.361 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001072428157 790142220 /nfs/dbraw/zinc/14/22/20/790142220.db2.gz IGSDDTUUDCCEES-WMLDXEAASA-N 0 3 309.413 2.249 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001072639540 790205687 /nfs/dbraw/zinc/20/56/87/790205687.db2.gz XYMSQVRTJHECAJ-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cccc(F)c3C)C2)C1 ZINC001072766467 790241798 /nfs/dbraw/zinc/24/17/98/790241798.db2.gz 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/nfs/dbraw/zinc/63/16/08/791631608.db2.gz OZZYZSJDXCFMLB-UHFFFAOYSA-N 0 3 308.466 2.339 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C)nc2C)C1 ZINC001098768232 791699992 /nfs/dbraw/zinc/69/99/92/791699992.db2.gz OGCSAPDNFBCICW-YOEHRIQHSA-N 0 3 303.406 2.452 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3sc(C)cc3C)C[C@]2(C)C1 ZINC001091705614 791730412 /nfs/dbraw/zinc/73/04/12/791730412.db2.gz ISKUTZFGPLALQZ-PBHICJAKSA-N 0 3 302.443 2.392 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3conc3C(C)C)C[C@]2(C)C1 ZINC001091733723 791777601 /nfs/dbraw/zinc/77/76/01/791777601.db2.gz ASUHWCFVVIOWST-KDOFPFPSSA-N 0 3 315.417 2.215 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCOc3ccccc3C)C2)C1 ZINC001148755334 791800625 /nfs/dbraw/zinc/80/06/25/791800625.db2.gz VIMVXXBABSNEIU-UHFFFAOYSA-N 0 3 314.429 2.484 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C3(CCOC)CCCC3)C2)C1 ZINC001148887279 791818557 /nfs/dbraw/zinc/81/85/57/791818557.db2.gz IJMZUMIFNWMFIJ-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NCC(=C)Cl)C2)cn1 ZINC001086857272 791835197 /nfs/dbraw/zinc/83/51/97/791835197.db2.gz UBXHQALFAMIWKJ-XJKSGUPXSA-N 0 3 317.820 2.304 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3nocc3C)C2)CC1 ZINC001086952367 791862279 /nfs/dbraw/zinc/86/22/79/791862279.db2.gz GRKCKVOHQBPOMU-HNNXBMFYSA-N 0 3 315.417 2.323 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ncccc3CC)C[C@]2(C)C1 ZINC001091805721 791884693 /nfs/dbraw/zinc/88/46/93/791884693.db2.gz MQFSKPXLDKVGDJ-APWZRJJASA-N 0 3 311.429 2.061 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCCC3(F)F)C[C@]2(C)C1 ZINC001091882834 791893857 /nfs/dbraw/zinc/89/38/57/791893857.db2.gz LKGVRQVBELFJMR-FMKPAKJESA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(C)cc(F)cc3C)C[C@]2(C)C1 ZINC001091905903 791898448 /nfs/dbraw/zinc/89/84/48/791898448.db2.gz URBYGWBREZMDHO-BEFAXECRSA-N 0 3 314.404 2.470 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc4ccccn4c3)C[C@]2(C)C1 ZINC001092068326 791927414 /nfs/dbraw/zinc/92/74/14/791927414.db2.gz 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DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC001099240127 792147427 /nfs/dbraw/zinc/14/74/27/792147427.db2.gz NZHYXMVFYISDDB-UPJWGTAASA-N 0 3 320.355 2.111 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3ncccc3s2)[C@H](C)C1 ZINC001092882051 792151969 /nfs/dbraw/zinc/15/19/69/792151969.db2.gz HOJSCUHMYNJTGF-CHWSQXEVSA-N 0 3 313.426 2.227 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001111472338 792189174 /nfs/dbraw/zinc/18/91/74/792189174.db2.gz NMAZZNCEJHOFAH-SVGFKBNWSA-N 0 3 306.450 2.347 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc3scnc3c2)[C@H](C)C1 ZINC001093099092 792233647 /nfs/dbraw/zinc/23/36/47/792233647.db2.gz BKPUPLZUZZALMQ-TZMCWYRMSA-N 0 3 313.426 2.227 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CC(=C)C)CC2(CCOCC2)C1 ZINC001099579221 792249045 /nfs/dbraw/zinc/24/90/45/792249045.db2.gz MWOPHYWMLXJQHT-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@@H](C)C(C)C)CC2(CCOCC2)C1 ZINC001099593376 792256370 /nfs/dbraw/zinc/25/63/70/792256370.db2.gz WTVQNKCWIOTLBW-JKSUJKDBSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C[C@@H]1O ZINC001099723361 792327682 /nfs/dbraw/zinc/32/76/82/792327682.db2.gz GVTWTKYORZNDQY-MSOLQXFVSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C[C@@H]1O ZINC001099726550 792329003 /nfs/dbraw/zinc/32/90/03/792329003.db2.gz IBOARWHPCSHTBR-ROUUACIJSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C[C@H]1O ZINC001099850943 792380814 /nfs/dbraw/zinc/38/08/14/792380814.db2.gz SQSDBPSDTGZRRA-ZWKOTPCHSA-N 0 3 316.445 2.403 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C[C@H]1O ZINC001099850941 792381958 /nfs/dbraw/zinc/38/19/58/792381958.db2.gz SQSDBPSDTGZRRA-QZTJIDSGSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099945640 792413991 /nfs/dbraw/zinc/41/39/91/792413991.db2.gz ZOKWEXIOTKOQJO-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCC1(C(=O)N[C@H]2CCN(CC=C(C)C)C[C@@H]2O)CC1 ZINC001099999067 792437228 /nfs/dbraw/zinc/43/72/28/792437228.db2.gz REZOKHBNMDTNPO-HOTGVXAUSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CC2(C=C)CCCCC2)[C@H](O)C1 ZINC001100035079 792451664 /nfs/dbraw/zinc/45/16/64/792451664.db2.gz XIYRUGXOHUVVCM-DLBZAZTESA-N 0 3 318.461 2.088 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](O)C1 ZINC001100064807 792462299 /nfs/dbraw/zinc/46/22/99/792462299.db2.gz RMNMPADEHKOEBI-RYUDHWBXSA-N 0 3 322.371 2.093 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001100235617 792534489 /nfs/dbraw/zinc/53/44/89/792534489.db2.gz OLSSXQUDSWLOPR-RUXDESIVSA-N 0 3 300.830 2.183 20 30 DEEDHN CCN1CCCC[C@@H]1C(=O)NCCNc1cccc(F)c1C#N ZINC001093676396 792540681 /nfs/dbraw/zinc/54/06/81/792540681.db2.gz NDOMFKDLYARAPD-MRXNPFEDSA-N 0 3 318.396 2.100 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100285635 792563695 /nfs/dbraw/zinc/56/36/95/792563695.db2.gz ORRWVHKIYZYVNC-LEHRNKBSSA-N 0 3 320.408 2.137 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001100440044 792653815 /nfs/dbraw/zinc/65/38/15/792653815.db2.gz HSWRFFFEKBKJHY-UHFFFAOYSA-N 0 3 324.856 2.164 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2oc(C)nc2C)C1 ZINC001100569374 792725429 /nfs/dbraw/zinc/72/54/29/792725429.db2.gz YUNHNCAJDAUZDW-UHFFFAOYSA-N 0 3 305.422 2.488 20 30 DEEDHN O=C(CCCF)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100579485 792731399 /nfs/dbraw/zinc/73/13/99/792731399.db2.gz XKDXOIDNDLYDCC-UHFFFAOYSA-N 0 3 302.393 2.272 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2nccnc2C)C1 ZINC001100623246 792754810 /nfs/dbraw/zinc/75/48/10/792754810.db2.gz FSYWLAUXXPQUJQ-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc4c3OCC4)CCC[C@@H]12 ZINC001094522122 792978850 /nfs/dbraw/zinc/97/88/50/792978850.db2.gz FEEBAGGYYNTYCH-YLJYHZDGSA-N 0 3 324.424 2.229 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)C3(C)CC3)c2)C1 ZINC001101094244 793016146 /nfs/dbraw/zinc/01/61/46/793016146.db2.gz TYSGPXMHZLKHSI-INIZCTEOSA-N 0 3 315.417 2.137 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC2(CN(C[C@H](C)CC)C2)n2ccnc21 ZINC001101615367 793272476 /nfs/dbraw/zinc/27/24/76/793272476.db2.gz IIGBQBBHWZLKJA-CABCVRRESA-N 0 3 316.449 2.467 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC2(CN(CCC(C)C)C2)n2ccnc21 ZINC001101616186 793274896 /nfs/dbraw/zinc/27/48/96/793274896.db2.gz YKZVGZSWZUICQY-OAHLLOKOSA-N 0 3 316.449 2.467 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172228237 793373685 /nfs/dbraw/zinc/37/36/85/793373685.db2.gz YKRPCHAWNBOTGZ-UCMJJCQDSA-N 0 3 317.433 2.232 20 30 DEEDHN CCCCC1(C(=O)NC[C@@H]2CN(CC#CCOC)C[C@H]2C)CC1 ZINC001102326048 793575050 /nfs/dbraw/zinc/57/50/50/793575050.db2.gz GPEHHVGCVZCCOC-IAGOWNOFSA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CCOCC2)C1 ZINC001102633582 793682578 /nfs/dbraw/zinc/68/25/78/793682578.db2.gz ZJRUPQPQKLIVSB-IUODEOHRSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)n2cccn2)C1 ZINC001102693313 793714218 /nfs/dbraw/zinc/71/42/18/793714218.db2.gz XEPYIQORHLCNDD-VHDGCEQUSA-N 0 3 324.856 2.271 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCCO2)C1 ZINC001102705741 793721316 /nfs/dbraw/zinc/72/13/16/793721316.db2.gz QLNSSMKTKQYBGX-BPLDGKMQSA-N 0 3 314.857 2.382 20 30 DEEDHN COc1ccnc(N2CCN(C3CCC(C)(C#N)CC3)CC2)n1 ZINC001173597953 793776941 /nfs/dbraw/zinc/77/69/41/793776941.db2.gz KBQROLVRKFAHCA-UHFFFAOYSA-N 0 3 315.421 2.080 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC2(F)F)C1 ZINC001102953477 793833434 /nfs/dbraw/zinc/83/34/34/793833434.db2.gz HRRROARIAARMAY-YUSALJHKSA-N 0 3 306.784 2.468 20 30 DEEDHN CC[C@H](C(=O)NC[C@H](CC)Nc1cccc(F)c1C#N)N(C)C ZINC001103137496 793952477 /nfs/dbraw/zinc/95/24/77/793952477.db2.gz LJROHFBZZKPZPN-BLLLJJGKSA-N 0 3 320.412 2.344 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001174682160 794038912 /nfs/dbraw/zinc/03/89/12/794038912.db2.gz JPRWLMOASHHTHM-KGLIPLIRSA-N 0 3 321.469 2.353 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CCCCNCc1cn(CC)nn1 ZINC001174978355 794111941 /nfs/dbraw/zinc/11/19/41/794111941.db2.gz LAMMSBKAWQRLKF-OAHLLOKOSA-N 0 3 321.469 2.419 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1C ZINC001103916315 794303279 /nfs/dbraw/zinc/30/32/79/794303279.db2.gz FRKUIVGDCJERDT-KWCYVHTRSA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111666920 794452414 /nfs/dbraw/zinc/45/24/14/794452414.db2.gz OVNSYHLDINQKNX-MDZLAQPJSA-N 0 3 303.328 2.069 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COC2CCCCC2)C1 ZINC001111797009 794483615 /nfs/dbraw/zinc/48/36/15/794483615.db2.gz RXGGICOOBQPKSJ-YJBOKZPZSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1C(F)(F)F ZINC001112060031 794551847 /nfs/dbraw/zinc/55/18/47/794551847.db2.gz PDQBTSJCMQKAOO-UPJWGTAASA-N 0 3 322.371 2.357 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncc(F)c1)C2 ZINC001110207538 794672715 /nfs/dbraw/zinc/67/27/15/794672715.db2.gz GMHOZAZTPOZCIB-IKGGRYGDSA-N 0 3 317.408 2.451 20 30 DEEDHN CN1CCC(N(C(=O)C#Cc2ccccn2)C2CCCC2)CC1 ZINC001177802492 794755685 /nfs/dbraw/zinc/75/56/85/794755685.db2.gz ISHYUEIETRFUCQ-UHFFFAOYSA-N 0 3 311.429 2.299 20 30 DEEDHN CSCCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178077350 794832929 /nfs/dbraw/zinc/83/29/29/794832929.db2.gz VFEDZPVPGCVFBC-RDJZCZTQSA-N 0 3 316.470 2.370 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCCCCNCc1cn(C)nn1 ZINC001178580287 794946982 /nfs/dbraw/zinc/94/69/82/794946982.db2.gz VBVSRLSVDSHUDG-UHFFFAOYSA-N 0 3 321.469 2.184 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC001116555201 794966538 /nfs/dbraw/zinc/96/65/38/794966538.db2.gz NEXLWUYJJDIKRU-YOEHRIQHSA-N 0 3 319.401 2.404 20 30 DEEDHN C=CC[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(=O)OCC ZINC001116588840 794970523 /nfs/dbraw/zinc/97/05/23/794970523.db2.gz MDOADUURBUNHEA-HUUCEWRRSA-N 0 3 308.422 2.017 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)[C@@H]1C ZINC001179359809 795106608 /nfs/dbraw/zinc/10/66/08/795106608.db2.gz GZHMGOGNWGVTSX-YOEHRIQHSA-N 0 3 317.408 2.493 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001179384293 795110296 /nfs/dbraw/zinc/11/02/96/795110296.db2.gz IXJFGKBCBKDOHL-UXLLHSPISA-N 0 3 318.465 2.410 20 30 DEEDHN C=C[C@@H](COC)NC[C@@H](O)COc1ccccc1C(F)(F)F ZINC001118156723 795159957 /nfs/dbraw/zinc/15/99/57/795159957.db2.gz ZBORGXXDNCJZFA-NWDGAFQWSA-N 0 3 319.323 2.236 20 30 DEEDHN C=CC[C@H]1NC(=O)N(C[C@@H](c2ccc(CC)cc2)N(C)C)C1=O ZINC001119626054 795331495 /nfs/dbraw/zinc/33/14/95/795331495.db2.gz ZVSBCXPGFINIJY-CVEARBPZSA-N 0 3 315.417 2.348 20 30 DEEDHN C[C@@H](N[C@@H]1CCN(C(=O)CSCC#N)C1)c1ccccc1F ZINC001181123200 795425638 /nfs/dbraw/zinc/42/56/38/795425638.db2.gz BTPZYVFHKJIHIX-CHWSQXEVSA-N 0 3 321.421 2.334 20 30 DEEDHN C#Cc1cccc(NC(=O)CNC[C@@H](O)CCc2ccccc2)c1 ZINC001120486419 795471131 /nfs/dbraw/zinc/47/11/31/795471131.db2.gz UDJDBBJLLZTPRR-IBGZPJMESA-N 0 3 322.408 2.190 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2cccnc2C)C1 ZINC001181476758 795484258 /nfs/dbraw/zinc/48/42/58/795484258.db2.gz UDGUXOCXFGEBJU-NVXWUHKLSA-N 0 3 317.433 2.062 20 30 DEEDHN Cc1csc(CNC2CC3(C2)CC(NC(=O)[C@H](C)C#N)C3)n1 ZINC001120834162 795539553 /nfs/dbraw/zinc/53/95/53/795539553.db2.gz FMXIOLQRMPGJNN-ZJMBPCIDSA-N 0 3 318.446 2.128 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001182422839 795668665 /nfs/dbraw/zinc/66/86/65/795668665.db2.gz DDDVNSUCAMXINY-CQSZACIVSA-N 0 3 319.474 2.500 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2scnc2Cl)c1 ZINC001151239426 795689363 /nfs/dbraw/zinc/68/93/63/795689363.db2.gz BZOHDELJQYXQDX-UHFFFAOYSA-N 0 3 320.805 2.188 20 30 DEEDHN C=CCC1(NC(=O)c2ccc3c(c2)OCCNC3)CCOCC1 ZINC001122143022 795730469 /nfs/dbraw/zinc/73/04/69/795730469.db2.gz GLLIZCQQRNTLPB-UHFFFAOYSA-N 0 3 316.401 2.024 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1cccc(F)c1 ZINC001122328609 795747254 /nfs/dbraw/zinc/74/72/54/795747254.db2.gz QMKJYDOIZJVQCW-CYBMUJFWSA-N 0 3 300.761 2.181 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@H](NC/C=C/Cl)C1)OCC ZINC001182973433 795792248 /nfs/dbraw/zinc/79/22/48/795792248.db2.gz KIZPBNCTTYPPBU-VTGPQGOBSA-N 0 3 300.830 2.301 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001183047969 795794568 /nfs/dbraw/zinc/79/45/68/795794568.db2.gz VRXYSBCHHQCFHR-SNVBAGLBSA-N 0 3 314.216 2.159 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2[C@H]2CCCO2)CC1 ZINC001123505114 795923780 /nfs/dbraw/zinc/92/37/80/795923780.db2.gz YAPRSQSEAQPQDP-DLBZAZTESA-N 0 3 321.465 2.380 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC001183912966 795960704 /nfs/dbraw/zinc/96/07/04/795960704.db2.gz QRWSMQACROYKIG-MRXNPFEDSA-N 0 3 304.821 2.486 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]2C)o1 ZINC001184371755 796056458 /nfs/dbraw/zinc/05/64/58/796056458.db2.gz OSBIOBLTGGLJJQ-HOCLYGCPSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001185063477 796172837 /nfs/dbraw/zinc/17/28/37/796172837.db2.gz ZWFGHTAXULGFPQ-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](C)[C@@](C)(O)C2)cc1OC ZINC001138342704 796200783 /nfs/dbraw/zinc/20/07/83/796200783.db2.gz BEERTYCSVYNVPV-KDOFPFPSSA-N 0 3 303.402 2.300 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC001138628666 796246495 /nfs/dbraw/zinc/24/64/95/796246495.db2.gz BMLHBLMKKOQYGR-QGZVFWFLSA-N 0 3 302.418 2.027 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC001138628666 796246498 /nfs/dbraw/zinc/24/64/98/796246498.db2.gz BMLHBLMKKOQYGR-QGZVFWFLSA-N 0 3 302.418 2.027 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001186177238 796369649 /nfs/dbraw/zinc/36/96/49/796369649.db2.gz ITLJHYGXNPLRLY-KOHRHEQBSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001186479009 796407565 /nfs/dbraw/zinc/40/75/65/796407565.db2.gz CQZAWILKZDTNGA-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCn1cc(CN2CCC[C@H](C(=O)N(CC)CC)C2)cn1 ZINC001139765370 796423096 /nfs/dbraw/zinc/42/30/96/796423096.db2.gz BTPNYJXGLNQLFA-INIZCTEOSA-N 0 3 304.438 2.150 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC001186756260 796438360 /nfs/dbraw/zinc/43/83/60/796438360.db2.gz LHXVKYJGWAAZSC-DZGCQCFKSA-N 0 3 306.431 2.097 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC001139866004 796438610 /nfs/dbraw/zinc/43/86/10/796438610.db2.gz WXCZUUCXVKKBIR-YOEHRIQHSA-N 0 3 318.417 2.181 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](O)[C@@H](C)c1ccccc1F ZINC001139869307 796439649 /nfs/dbraw/zinc/43/96/49/796439649.db2.gz FCVZPOPNPRGBES-WMLDXEAASA-N 0 3 322.424 2.256 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@H]3C=CCC3)[C@@H]2C1 ZINC001186779118 796442544 /nfs/dbraw/zinc/44/25/44/796442544.db2.gz SGJQOBDLUPLTLU-YESZJQIVSA-N 0 3 304.434 2.078 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCc3sc(C)nc32)C1 ZINC001187051580 796478976 /nfs/dbraw/zinc/47/89/76/796478976.db2.gz XCIUXCKMTCJQDZ-KGLIPLIRSA-N 0 3 317.458 2.085 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccccc2OC(C)C)C1 ZINC001187291175 796514828 /nfs/dbraw/zinc/51/48/28/796514828.db2.gz LRDGXMJQZWOFKF-OAHLLOKOSA-N 0 3 300.402 2.301 20 30 DEEDHN CCCCCCCCCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001187367754 796525049 /nfs/dbraw/zinc/52/50/49/796525049.db2.gz VAKZWFXPCFUDSB-HUUCEWRRSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001187472430 796540444 /nfs/dbraw/zinc/54/04/44/796540444.db2.gz IPYNPVFHMCJTKJ-DLBZAZTESA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC001187608918 796556019 /nfs/dbraw/zinc/55/60/19/796556019.db2.gz RQQVGYNBNSRKGT-CYBMUJFWSA-N 0 3 306.793 2.176 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cc(C)[nH]n1)CC2 ZINC001203073551 796590238 /nfs/dbraw/zinc/59/02/38/796590238.db2.gz BWFYPIGRRWHPHQ-KRWDZBQOSA-N 0 3 302.422 2.251 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001188317498 796657268 /nfs/dbraw/zinc/65/72/68/796657268.db2.gz ONYGJRVZZLGRPJ-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000838624221 796671883 /nfs/dbraw/zinc/67/18/83/796671883.db2.gz NCZJPCXNNOUDEV-UHFFFAOYSA-N 0 3 324.768 2.325 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(F)cc1OCC ZINC000838624131 796672085 /nfs/dbraw/zinc/67/20/85/796672085.db2.gz IQFSSJSXINDORG-UHFFFAOYSA-N 0 3 307.369 2.301 20 30 DEEDHN N#Cc1cc(Br)ccc1CN1CCN2CC[C@H]2C1 ZINC001141818524 796692766 /nfs/dbraw/zinc/69/27/66/796692766.db2.gz HFINCENFXPEUII-AWEZNQCLSA-N 0 3 306.207 2.211 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cccn4ccnc34)C2)C1=O ZINC001142949361 796788039 /nfs/dbraw/zinc/78/80/39/796788039.db2.gz ZGYZUHOBNVESQD-LJQANCHMSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(CC=C(C)C)CCCO1 ZINC001149356811 796845390 /nfs/dbraw/zinc/84/53/90/796845390.db2.gz UJPYQFWIPTUTPU-DLBZAZTESA-N 0 3 324.465 2.141 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](N(C)CCOCC(C)C)C1 ZINC001189743760 796875688 /nfs/dbraw/zinc/87/56/88/796875688.db2.gz IRGUTNNTECHKPZ-KRWDZBQOSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CN(CC2=CCCCC2)CCCO1 ZINC001149638455 796879074 /nfs/dbraw/zinc/87/90/74/796879074.db2.gz GJXJPMQKGOIXHZ-SFHVURJKSA-N 0 3 318.461 2.497 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2ccccc2F)cc1 ZINC001149697640 796888114 /nfs/dbraw/zinc/88/81/14/796888114.db2.gz HAJJXMMAFVVWGX-UHFFFAOYSA-N 0 3 311.360 2.146 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCC(C)(F)F)C1 ZINC001149913034 796905627 /nfs/dbraw/zinc/90/56/27/796905627.db2.gz BFLCKYOQYBAUOR-CYBMUJFWSA-N 0 3 304.381 2.205 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(F)cc(F)c2)cc1 ZINC001150163722 796925347 /nfs/dbraw/zinc/92/53/47/796925347.db2.gz GWTOIUWPUJRMQR-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150247171 796930782 /nfs/dbraw/zinc/93/07/82/796930782.db2.gz NAAOWFYRXINNEV-GDBMZVCRSA-N 0 3 300.418 2.155 20 30 DEEDHN CC(C)COCCN(C)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190077113 796933277 /nfs/dbraw/zinc/93/32/77/796933277.db2.gz YLZRWPLXBXVXNV-MRXNPFEDSA-N 0 3 308.466 2.241 20 30 DEEDHN CCCCOCCN(C)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084975 796935511 /nfs/dbraw/zinc/93/55/11/796935511.db2.gz UYBWBDHIEAFTKK-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001190230434 796959999 /nfs/dbraw/zinc/95/99/99/796959999.db2.gz YJSSLHUDJJOSOH-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccccc2C)C1 ZINC001150691950 796969361 /nfs/dbraw/zinc/96/93/61/796969361.db2.gz GNMDXHPTKHGQDJ-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001151150574 797016780 /nfs/dbraw/zinc/01/67/80/797016780.db2.gz SNRKQLMPBPDDBJ-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COCc2ccc(C)cc2)C1 ZINC001190520344 797016997 /nfs/dbraw/zinc/01/69/97/797016997.db2.gz NMOXVZUBFWUBNT-QGZVFWFLSA-N 0 3 302.418 2.230 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@@H]2CC23CC3)CC1 ZINC001151345329 797036343 /nfs/dbraw/zinc/03/63/43/797036343.db2.gz AWBYONOMUIPIDU-HNNXBMFYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)Cc2ccco2)CC1 ZINC001151362272 797036648 /nfs/dbraw/zinc/03/66/48/797036648.db2.gz AQTKJWAOWWRJSM-UHFFFAOYSA-N 0 3 320.433 2.386 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001151374528 797038921 /nfs/dbraw/zinc/03/89/21/797038921.db2.gz JWDQKPZDGMKCRK-JKSUJKDBSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)CCOC(C)C)C2)CCC1 ZINC001190612485 797041621 /nfs/dbraw/zinc/04/16/21/797041621.db2.gz FZDOKWFPKPAGIY-MRXNPFEDSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001190741698 797066196 /nfs/dbraw/zinc/06/61/96/797066196.db2.gz ORAKAEYSVFMKGZ-IAGOWNOFSA-N 0 3 320.408 2.347 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CCCO1 ZINC001151748311 797089956 /nfs/dbraw/zinc/08/99/56/797089956.db2.gz ITDGEOXWCUOLDM-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN CCCCCCCNC(=O)N1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001191094100 797144092 /nfs/dbraw/zinc/14/40/92/797144092.db2.gz STOUPOUGLSBSDA-JKSUJKDBSA-N 0 3 311.470 2.319 20 30 DEEDHN CCCCCCCNC(=O)N1CCN2C[C@H](OCC)C[C@H]2C1 ZINC001191093727 797144254 /nfs/dbraw/zinc/14/42/54/797144254.db2.gz OGNANJQYABHXOT-JKSUJKDBSA-N 0 3 311.470 2.461 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450163 797188521 /nfs/dbraw/zinc/18/85/21/797188521.db2.gz SCUCVZSKUDXNBC-CHWSQXEVSA-N 0 3 316.380 2.184 20 30 DEEDHN CCOCCCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001153042584 797275689 /nfs/dbraw/zinc/27/56/89/797275689.db2.gz RRIUVSJXCIXPSF-UHFFFAOYSA-N 0 3 323.462 2.422 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2cccc(C)c2)C1 ZINC001192073246 797311218 /nfs/dbraw/zinc/31/12/18/797311218.db2.gz RIFKSGSLKCNXNV-SFHVURJKSA-N 0 3 316.445 2.273 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001192093927 797325446 /nfs/dbraw/zinc/32/54/46/797325446.db2.gz OBXYCNQQEACLAO-ZDUSSCGKSA-N 0 3 304.381 2.157 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001153361955 797328095 /nfs/dbraw/zinc/32/80/95/797328095.db2.gz IWFOZNSGVKSTEQ-OCCSQVGLSA-N 0 3 321.446 2.068 20 30 DEEDHN CC[C@H](C(=O)NCCNCC#CCOC)c1ccc(Cl)cc1 ZINC001152010102 797339277 /nfs/dbraw/zinc/33/92/77/797339277.db2.gz BPVRESQHCSVWNZ-INIZCTEOSA-N 0 3 322.836 2.189 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001192397878 797383496 /nfs/dbraw/zinc/38/34/96/797383496.db2.gz NTWADZCEKHPJEK-OLZOCXBDSA-N 0 3 304.381 2.013 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ocnc1-c1ccccc1 ZINC001153769306 797390526 /nfs/dbraw/zinc/39/05/26/797390526.db2.gz UBZKOWWPLSYKRJ-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001192495918 797394893 /nfs/dbraw/zinc/39/48/93/797394893.db2.gz YJLPOHMJFYHPKP-CZDHMLMNSA-N 0 3 319.449 2.160 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)NCCCC)CCCC1 ZINC001153809250 797400175 /nfs/dbraw/zinc/40/01/75/797400175.db2.gz HJJKHJOJMJGUKW-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(C)cc2F)C1 ZINC001192522990 797400721 /nfs/dbraw/zinc/40/07/21/797400721.db2.gz NKIGEPPHBJTFIC-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)nc2sccn21 ZINC001154015755 797443871 /nfs/dbraw/zinc/44/38/71/797443871.db2.gz VASTWTBTGVAXBD-GFCCVEGCSA-N 0 3 318.446 2.168 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OC)c(F)c1 ZINC001154212830 797486299 /nfs/dbraw/zinc/48/62/99/797486299.db2.gz VVWOLFKBCZSSTE-CQSZACIVSA-N 0 3 320.408 2.227 20 30 DEEDHN C=CCN(CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001154220207 797489002 /nfs/dbraw/zinc/48/90/02/797489002.db2.gz FSTPQDDGLKFYQH-GFCCVEGCSA-N 0 3 323.824 2.291 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001193269734 797536119 /nfs/dbraw/zinc/53/61/19/797536119.db2.gz ZSZXBNJQABGHJN-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)COCC(F)F ZINC001154468926 797540308 /nfs/dbraw/zinc/54/03/08/797540308.db2.gz HMQGFCSQCUEIFC-CYBMUJFWSA-N 0 3 318.408 2.144 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2ccoc2)c(F)c1 ZINC001154589162 797569302 /nfs/dbraw/zinc/56/93/02/797569302.db2.gz ZPPSHSQVRBNPAV-UHFFFAOYSA-N 0 3 301.321 2.200 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001154757597 797605948 /nfs/dbraw/zinc/60/59/48/797605948.db2.gz RMBQOGOORPFNJQ-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](c1ccncc1)C(C)C ZINC001154850828 797626067 /nfs/dbraw/zinc/62/60/67/797626067.db2.gz LQYYZIAFBVTDMJ-NVXWUHKLSA-N 0 3 301.434 2.281 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC001193874419 797643217 /nfs/dbraw/zinc/64/32/17/797643217.db2.gz UDVSLZLUIXFZBG-INIZCTEOSA-N 0 3 324.371 2.314 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cnc(CC)s2)C1 ZINC001194375011 797715780 /nfs/dbraw/zinc/71/57/80/797715780.db2.gz MHEVADVSJFOIRQ-ZDUSSCGKSA-N 0 3 323.462 2.054 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001194468622 797729359 /nfs/dbraw/zinc/72/93/59/797729359.db2.gz PMBOBYCZRFCGBS-HUUCEWRRSA-N 0 3 308.447 2.106 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001155704429 797831655 /nfs/dbraw/zinc/83/16/55/797831655.db2.gz UHNCXBKNLYJBNB-ZBFHGGJFSA-N 0 3 320.433 2.168 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)O[C@@H](C)CC)CC1 ZINC001195113157 797835192 /nfs/dbraw/zinc/83/51/92/797835192.db2.gz WELXTAAZXUJMIC-INIZCTEOSA-N 0 3 309.454 2.213 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(CCCCC)n[nH]1 ZINC001155790221 797848856 /nfs/dbraw/zinc/84/88/56/797848856.db2.gz VXYDRYVCZFQAMH-CQSZACIVSA-N 0 3 304.438 2.216 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccccc1OC(C)C ZINC001155829203 797860191 /nfs/dbraw/zinc/86/01/91/797860191.db2.gz GFYAKFPVAPTCTJ-MRXNPFEDSA-N 0 3 316.445 2.476 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCCCC)C[C@H]1O ZINC001195306458 797875335 /nfs/dbraw/zinc/87/53/35/797875335.db2.gz BHKFEQSJEHAZST-IAGOWNOFSA-N 0 3 308.466 2.312 20 30 DEEDHN N#Cc1ncc(Cl)nc1N1CCNC[C@H]1c1cccs1 ZINC001156089806 797923491 /nfs/dbraw/zinc/92/34/91/797923491.db2.gz SKTCXOLWMMKVJS-JTQLQIEISA-N 0 3 305.794 2.214 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N1CCNC[C@@H]1c1cccs1 ZINC001156097255 797924244 /nfs/dbraw/zinc/92/42/44/797924244.db2.gz GEQQWLSUHMMSDT-GFCCVEGCSA-N 0 3 315.358 2.074 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC001156258783 797959248 /nfs/dbraw/zinc/95/92/48/797959248.db2.gz ZLMYHECFVVEODQ-QLPKVWCKSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1O ZINC001195924036 797983017 /nfs/dbraw/zinc/98/30/17/797983017.db2.gz QXBMOWXIKGWDLG-FTVWBCRMSA-N 0 3 308.466 2.496 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001195923541 797983932 /nfs/dbraw/zinc/98/39/32/797983932.db2.gz FPJGUAOFGWBAIS-JFIYKMOQSA-N 0 3 320.477 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc2c(s1)CCOC2 ZINC001156490688 798014851 /nfs/dbraw/zinc/01/48/51/798014851.db2.gz IJHMYHQMHNECGM-CYBMUJFWSA-N 0 3 320.458 2.284 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001196306422 798032736 /nfs/dbraw/zinc/03/27/36/798032736.db2.gz BDPLYDAUDDVQDP-HUUCEWRRSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1OCCc2ccccc21 ZINC001156672279 798058997 /nfs/dbraw/zinc/05/89/97/798058997.db2.gz KNTHDBVATPBQBK-QGZVFWFLSA-N 0 3 302.418 2.267 20 30 DEEDHN Cc1ccc(CC(=O)NCCCNCc2ccccc2C#N)o1 ZINC001156724734 798071475 /nfs/dbraw/zinc/07/14/75/798071475.db2.gz IJYYDIBQEQZEEY-UHFFFAOYSA-N 0 3 311.385 2.298 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccc(F)cc1 ZINC001156858596 798096883 /nfs/dbraw/zinc/09/68/83/798096883.db2.gz YAJXLMCFIBTMQW-CQSZACIVSA-N 0 3 306.381 2.054 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)COC(C)C ZINC001152302999 798103418 /nfs/dbraw/zinc/10/34/18/798103418.db2.gz LTSNSCBXOZFIRC-OAHLLOKOSA-N 0 3 317.433 2.310 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001156912783 798106849 /nfs/dbraw/zinc/10/68/49/798106849.db2.gz GHPJRMVNHZJXAG-OAHLLOKOSA-N 0 3 318.465 2.410 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001156942504 798114733 /nfs/dbraw/zinc/11/47/33/798114733.db2.gz VXMUXOMHNLNATK-GFCCVEGCSA-N 0 3 324.856 2.003 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC001196935503 798128677 /nfs/dbraw/zinc/12/86/77/798128677.db2.gz SQGFCAXGSUQZCD-UHFFFAOYSA-N 0 3 319.449 2.455 20 30 DEEDHN C=CCN1CCCN(C(=O)c2cc(CCCCC)[nH]n2)CC1 ZINC001197411935 798186717 /nfs/dbraw/zinc/18/67/17/798186717.db2.gz WZJAXCDALFQSLN-UHFFFAOYSA-N 0 3 304.438 2.476 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ccco1 ZINC001157449679 798207947 /nfs/dbraw/zinc/20/79/47/798207947.db2.gz FXDPRZSKNUBWQM-OAHLLOKOSA-N 0 3 306.406 2.409 20 30 DEEDHN CC(C)(CCC#N)c1ccc(C(=O)N2C[C@@H](F)[C@@H](N)C2)cc1 ZINC001157556232 798229470 /nfs/dbraw/zinc/22/94/70/798229470.db2.gz XHWQTIYUFRKYAF-CABCVRRESA-N 0 3 303.381 2.389 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC001197722189 798231222 /nfs/dbraw/zinc/23/12/22/798231222.db2.gz XXIFOHQTTBLENA-GFCCVEGCSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2conc2COC)CC1 ZINC001197794147 798238961 /nfs/dbraw/zinc/23/89/61/798238961.db2.gz HLUKCJZQFQOGHF-AWEZNQCLSA-N 0 3 321.421 2.324 20 30 DEEDHN C#CCOCCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001157870135 798294817 /nfs/dbraw/zinc/29/48/17/798294817.db2.gz XEARAOKWJZSBCE-ZDUSSCGKSA-N 0 3 324.371 2.162 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001198233629 798301215 /nfs/dbraw/zinc/30/12/15/798301215.db2.gz LQFSFLZCJCCJEV-HUUCEWRRSA-N 0 3 322.474 2.035 20 30 DEEDHN CCOCCN(C)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157919507 798306308 /nfs/dbraw/zinc/30/63/08/798306308.db2.gz GSWWIFGVNSTQBM-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCOCCC(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157945828 798310332 /nfs/dbraw/zinc/31/03/32/798310332.db2.gz QFJJZGNLCBJERR-QGZVFWFLSA-N 0 3 306.450 2.305 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(Cl)n(C)n1 ZINC001158207264 798360344 /nfs/dbraw/zinc/36/03/44/798360344.db2.gz SVODGZRESZFIMT-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@@H]1CCOC1)c1ccccc1OC ZINC001198597181 798364005 /nfs/dbraw/zinc/36/40/05/798364005.db2.gz XWFGEQMENSQTFO-ZBFHGGJFSA-N 0 3 318.417 2.055 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)c1cnco1)c1ccccc1OC ZINC001198820101 798402865 /nfs/dbraw/zinc/40/28/65/798402865.db2.gz XTTZBIDAEMZIEU-AWEZNQCLSA-N 0 3 315.373 2.320 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CN(CCCC)C[C@H]1O)c1ccccc1 ZINC001198881508 798412579 /nfs/dbraw/zinc/41/25/79/798412579.db2.gz ZJKWGUBLUVONNF-RCCFBDPRSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnn(CC2CC2)c1 ZINC001158709024 798454223 /nfs/dbraw/zinc/45/42/23/798454223.db2.gz GOCCPTJTGHQGIE-QGZVFWFLSA-N 0 3 316.449 2.406 20 30 DEEDHN C=CCCC(=O)N1CCC(NCc2nccn2C(F)F)CC1 ZINC001199681424 798519677 /nfs/dbraw/zinc/51/96/77/798519677.db2.gz CBYBNDFQAFVSJV-UHFFFAOYSA-N 0 3 312.364 2.325 20 30 DEEDHN COC(=O)c1sc(SC)c(C#N)c1N=C1CCCNC1 ZINC001159205891 798539174 /nfs/dbraw/zinc/53/91/74/798539174.db2.gz YEXJIJLWDGFLNQ-UHFFFAOYSA-N 0 3 309.416 2.417 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC(C)C)nc1 ZINC001159373628 798558454 /nfs/dbraw/zinc/55/84/54/798558454.db2.gz MYYWGAWZVVZJPL-UHFFFAOYSA-N 0 3 311.813 2.331 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C(C)=C2CCCC2)CCCO1 ZINC001200236934 798600824 /nfs/dbraw/zinc/60/08/24/798600824.db2.gz CWOUSRCGERABQR-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CC(C)(C)C2CC2)CCCO1 ZINC001200428493 798635532 /nfs/dbraw/zinc/63/55/32/798635532.db2.gz KEIKJAMTIBVKPR-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN N#Cc1cc(NC(=S)NCCN2CCCCC2)ccc1F ZINC001200430060 798636599 /nfs/dbraw/zinc/63/65/99/798636599.db2.gz FQBGXPXRYIGHPA-UHFFFAOYSA-N 0 3 306.410 2.470 20 30 DEEDHN Cc1ncccc1CN1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001160081528 798646163 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ZINC001208859250 801080561 /nfs/dbraw/zinc/08/05/61/801080561.db2.gz OECIHGCFRZJBMD-SFHVURJKSA-N 0 3 324.428 2.470 20 30 DEEDHN CN(C)C(=O)N[C@@H]1CCCN(CCCc2ccc(C#N)cc2)C1 ZINC001208864061 801081308 /nfs/dbraw/zinc/08/13/08/801081308.db2.gz MPGBCTQPRHKBKU-QGZVFWFLSA-N 0 3 314.433 2.226 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(CC)CC)C1 ZINC001208961888 801103038 /nfs/dbraw/zinc/10/30/38/801103038.db2.gz LHCWDTZSINXVLY-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(OCCN1CCC2SC(=O)C=C2C1)c1ccccc1 ZINC001209043284 801118848 /nfs/dbraw/zinc/11/88/48/801118848.db2.gz YUUPZTAXOYVXJF-AWEZNQCLSA-N 0 3 303.383 2.118 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC001209145927 801136017 /nfs/dbraw/zinc/13/60/17/801136017.db2.gz JNDKVOIDHPIADQ-YOEHRIQHSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001209161232 801140001 /nfs/dbraw/zinc/14/00/01/801140001.db2.gz JSJFCULLLFHXTA-IKGGRYGDSA-N 0 3 315.417 2.009 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001209182721 801143293 /nfs/dbraw/zinc/14/32/93/801143293.db2.gz HTISGYGGKPXKCM-ZBFHGGJFSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001209366998 801176616 /nfs/dbraw/zinc/17/66/16/801176616.db2.gz WYRCNTXGMPIRLM-GXTWGEPZSA-N 0 3 305.426 2.111 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001229017083 801209080 /nfs/dbraw/zinc/20/90/80/801209080.db2.gz PLLWFXXVHYBEMV-QGZVFWFLSA-N 0 3 304.438 2.066 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC1CCCCC1)OCC ZINC001229292442 801251946 /nfs/dbraw/zinc/25/19/46/801251946.db2.gz SMDNBLLMMLCYFM-UHFFFAOYSA-N 0 3 309.454 2.485 20 30 DEEDHN CC[C@H](C#CC(=O)OC)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302077 801252818 /nfs/dbraw/zinc/25/28/18/801252818.db2.gz FUAPLOANIGBYHB-OAHLLOKOSA-N 0 3 317.385 2.155 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001229500956 801285909 /nfs/dbraw/zinc/28/59/09/801285909.db2.gz WQUADNGEFKUWMD-HNNXBMFYSA-N 0 3 320.433 2.475 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001209867347 801298137 /nfs/dbraw/zinc/29/81/37/801298137.db2.gz YDVCSGAZELRAKR-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001209874703 801299858 /nfs/dbraw/zinc/29/98/58/801299858.db2.gz KQTAENFALAHVJR-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C(C2CC2)C2CC2)CC1 ZINC001229967870 801343563 /nfs/dbraw/zinc/34/35/63/801343563.db2.gz IPSTUFHYNSTFSI-UHFFFAOYSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001210316013 801375303 /nfs/dbraw/zinc/37/53/03/801375303.db2.gz URLXDRSPYNFHSJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)CCOC)CC1 ZINC001230486310 801405300 /nfs/dbraw/zinc/40/53/00/801405300.db2.gz XMNKXHSJCDSTIS-HNNXBMFYSA-N 0 3 314.857 2.478 20 30 DEEDHN CCCCCCCCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001210804754 801466692 /nfs/dbraw/zinc/46/66/92/801466692.db2.gz METYYUVHCBYEND-HZPDHXFCSA-N 0 3 323.481 2.206 20 30 DEEDHN C=C(C)CN(CCCNC(=O)C[C@H](C)OC)Cc1cccnc1 ZINC001230704433 801468559 /nfs/dbraw/zinc/46/85/59/801468559.db2.gz VBPGZDBVAYYDOX-INIZCTEOSA-N 0 3 319.449 2.391 20 30 DEEDHN C[C@H](F)CCN(CCCNC(=O)[C@@H](C)C#N)Cc1cccnc1 ZINC001230713920 801471894 /nfs/dbraw/zinc/47/18/94/801471894.db2.gz PIDKPDJIQZWYRZ-GJZGRUSLSA-N 0 3 320.412 2.298 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@H](F)C(C)C)Cc1cccnc1 ZINC001230819831 801502852 /nfs/dbraw/zinc/50/28/52/801502852.db2.gz IRXHMQXDNCYBKX-QGZVFWFLSA-N 0 3 319.424 2.407 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001211066295 801506841 /nfs/dbraw/zinc/50/68/41/801506841.db2.gz GMGVYGQYYUTCLE-NVXWUHKLSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cncnc1C ZINC001230855386 801513292 /nfs/dbraw/zinc/51/32/92/801513292.db2.gz MLOZHOUHBRKJLN-HIFRSBDPSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CN(CCOC)C[C@H]1C)c1ccccc1 ZINC001211199767 801530168 /nfs/dbraw/zinc/53/01/68/801530168.db2.gz BPJFXCFORWTVCC-KBAYOESNSA-N 0 3 316.445 2.429 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001211435800 801565459 /nfs/dbraw/zinc/56/54/59/801565459.db2.gz MTKPVYYQUIVWKZ-HDMKZQKVSA-N 0 3 316.420 2.464 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)[C@H](OC)C1 ZINC001213506166 801616951 /nfs/dbraw/zinc/61/69/51/801616951.db2.gz FGNDERPWPJGINY-BRWVUGGUSA-N 0 3 324.465 2.116 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CNC(=O)CC ZINC001231272265 801623125 /nfs/dbraw/zinc/62/31/25/801623125.db2.gz OCVLXJBMUBUSLU-OAHLLOKOSA-N 0 3 311.470 2.016 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231407892 801658546 /nfs/dbraw/zinc/65/85/46/801658546.db2.gz PWFCRLVFIJRCJJ-INIZCTEOSA-N 0 3 304.438 2.231 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001214021601 801664527 /nfs/dbraw/zinc/66/45/27/801664527.db2.gz NIYHIZPATIDPHA-CXAGYDPISA-N 0 3 300.377 2.024 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1NCC#Cc1ccccc1 ZINC001214146665 801681064 /nfs/dbraw/zinc/68/10/64/801681064.db2.gz LEGDRAAQEYDYJC-SJLPKXTDSA-N 0 3 321.424 2.127 20 30 DEEDHN C#Cc1cccc(CN2CC[C@@H](Oc3ncc(OC)cn3)C2)c1 ZINC001231663080 801706453 /nfs/dbraw/zinc/70/64/53/801706453.db2.gz IKTXDPZSSIFXBW-MRXNPFEDSA-N 0 3 309.369 2.120 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NCc1cncc(F)c1 ZINC001214589568 801736264 /nfs/dbraw/zinc/73/62/64/801736264.db2.gz NJFXPGWDQUCDNY-CZUORRHYSA-N 0 3 317.408 2.207 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc(N)nc1C)CC2 ZINC001232339170 801850143 /nfs/dbraw/zinc/85/01/43/801850143.db2.gz INGUIMNCVLMEAW-UHFFFAOYSA-N 0 3 314.433 2.115 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232968579 801992292 /nfs/dbraw/zinc/99/22/92/801992292.db2.gz IRNVZDJWOAGIJW-UHFFFAOYSA-N 0 3 301.434 2.411 20 30 DEEDHN Cc1cc(-c2noc(-c3noc4c3CNCC4)n2)ccc1C#N ZINC001217213469 802057621 /nfs/dbraw/zinc/05/76/21/802057621.db2.gz ZFZGCSFJEHRMNA-UHFFFAOYSA-N 0 3 307.313 2.217 20 30 DEEDHN CC(C)C#CC(=O)N1CCO[C@@H]2CN(C[C@@H](C)CC(C)C)C[C@@H]21 ZINC001217852621 802115997 /nfs/dbraw/zinc/11/59/97/802115997.db2.gz OPAIMYBLTNFZIO-OKZBNKHCSA-N 0 3 320.477 2.240 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCO[C@@H]2CN(CCCC)C[C@@H]21)OCC ZINC001218048331 802138338 /nfs/dbraw/zinc/13/83/38/802138338.db2.gz FIMUDDKBDHGSKS-GVDBMIGSSA-N 0 3 324.465 2.069 20 30 DEEDHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)Nc1ccsc1C#N ZINC001218625256 802216637 /nfs/dbraw/zinc/21/66/37/802216637.db2.gz WOOXTJWFKYTJMC-SECBINFHSA-N 0 3 309.391 2.007 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CCC[C@@H]1CCOC1 ZINC001233948389 802249463 /nfs/dbraw/zinc/24/94/63/802249463.db2.gz VNHXCWPTBMGXBI-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCc2ccoc2)[C@@H](O)C1 ZINC001219453927 802333050 /nfs/dbraw/zinc/33/30/50/802333050.db2.gz VOIWPFXNJXRNMV-SJORKVTESA-N 0 3 320.433 2.120 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001219482158 802337290 /nfs/dbraw/zinc/33/72/90/802337290.db2.gz NKLIGRAAXCIKOD-DGEHHSODSA-N 0 3 306.450 2.088 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2c(C)coc2C)[C@@H](O)C1 ZINC001219551281 802345889 /nfs/dbraw/zinc/34/58/89/802345889.db2.gz WKEWFRDAJMCNSX-CFVMTHIKSA-N 0 3 306.406 2.026 20 30 DEEDHN CCO[C@@H](C)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001234312267 802349842 /nfs/dbraw/zinc/34/98/42/802349842.db2.gz SYFWTBIXEMJSBP-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCCC23CC3)[C@@H](O)C1 ZINC001219872207 802385400 /nfs/dbraw/zinc/38/54/00/802385400.db2.gz VCXGTFCBDGLZAK-ZACQAIPSSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2ccccc2)[C@@H](O)C1 ZINC001219883268 802387257 /nfs/dbraw/zinc/38/72/57/802387257.db2.gz OVKLWEDYCCDDET-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001219978909 802396519 /nfs/dbraw/zinc/39/65/19/802396519.db2.gz OUEPMNYWVOLTHQ-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001234536867 802406910 /nfs/dbraw/zinc/40/69/10/802406910.db2.gz IASFXKFAOLMZMM-GFCCVEGCSA-N 0 3 312.364 2.391 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnc2[nH]cnc2c1 ZINC001234583099 802419961 /nfs/dbraw/zinc/41/99/61/802419961.db2.gz HVQANDXOHDAULJ-AWEZNQCLSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C2CCC2)C2CCC2)[C@@H](O)C1 ZINC001220222539 802428494 /nfs/dbraw/zinc/42/84/94/802428494.db2.gz TWKSYXJZFIVNIW-SJORKVTESA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2ccc(C)cc2)C[C@@H]1O ZINC001220242365 802431881 /nfs/dbraw/zinc/43/18/81/802431881.db2.gz XALLZBVBOYIBNZ-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@@H](O)C1 ZINC001220308703 802442637 /nfs/dbraw/zinc/44/26/37/802442637.db2.gz IXVAPQBFBFAXTC-VQHPVUNQSA-N 0 3 308.466 2.330 20 30 DEEDHN N#Cc1ccc([C@H](N)CC(=O)N[C@@H]2CNc3ccccc3C2)cc1 ZINC001220602131 802478709 /nfs/dbraw/zinc/47/87/09/802478709.db2.gz RISFVIDQNXDEBX-DLBZAZTESA-N 0 3 320.396 2.101 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@@H](O)C1 ZINC001220783353 802497646 /nfs/dbraw/zinc/49/76/46/802497646.db2.gz GWHHGPKXQCPTNP-JQHSSLGASA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](O)C1 ZINC001220852807 802503976 /nfs/dbraw/zinc/50/39/76/802503976.db2.gz XZEJGXBNRSBIRH-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CCCCC1 ZINC001221052935 802524307 /nfs/dbraw/zinc/52/43/07/802524307.db2.gz ZSHUAJUGXHBBGM-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCC(=C)C)C[C@@H]2O)CCCC1 ZINC001221191260 802535641 /nfs/dbraw/zinc/53/56/41/802535641.db2.gz MKDPLIAORIUWAT-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN N#Cc1ccc(C(=O)N2C[C@H]3CCN(CCCCCF)C[C@H]32)[nH]1 ZINC001221481911 802581794 /nfs/dbraw/zinc/58/17/94/802581794.db2.gz NOUQLCIUNDIKBQ-CZUORRHYSA-N 0 3 318.396 2.172 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCC3)[C@@H]2C1 ZINC001221639230 802599555 /nfs/dbraw/zinc/59/95/55/802599555.db2.gz KPJPKDVXHVYLIF-USXIJHARSA-N 0 3 306.450 2.158 20 30 DEEDHN CCCCOCCN1CC[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001222640727 802720635 /nfs/dbraw/zinc/72/06/35/802720635.db2.gz RPXQERDRCHKKLM-MSOLQXFVSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001223436652 802789469 /nfs/dbraw/zinc/78/94/69/802789469.db2.gz HXXCTJXPNVMDMG-QZTJIDSGSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cncc3ccccc32)CC1 ZINC001223516942 802797217 /nfs/dbraw/zinc/79/72/17/802797217.db2.gz PNXCRHFFZVZEFF-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)c2c(C)noc2C)CC1 ZINC001223653929 802806199 /nfs/dbraw/zinc/80/61/99/802806199.db2.gz HHHSNBGIZKEMPD-CYBMUJFWSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Cc2cccs2)CC1 ZINC001224691191 802893721 /nfs/dbraw/zinc/89/37/21/802893721.db2.gz FBROJTNAGYXYEF-AWEZNQCLSA-N 0 3 304.459 2.388 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1c(C)cc(C)cc1C ZINC001224710235 802896528 /nfs/dbraw/zinc/89/65/28/802896528.db2.gz JRKDJHGRAAXZTP-UHFFFAOYSA-N 0 3 315.461 2.409 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)c2ccccc2F)CC1 ZINC001224894195 802914998 /nfs/dbraw/zinc/91/49/98/802914998.db2.gz HUQIAWFYVQDKLC-CQSZACIVSA-N 0 3 302.393 2.391 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCCc2cccnc2)CC1 ZINC001225019416 802928448 /nfs/dbraw/zinc/92/84/48/802928448.db2.gz FDNSXBUIWZBSLQ-UHFFFAOYSA-N 0 3 313.445 2.256 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC001225646821 802995837 /nfs/dbraw/zinc/99/58/37/802995837.db2.gz LBMMFMQNDRAAQP-HNNXBMFYSA-N 0 3 316.420 2.466 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001226533041 803121000 /nfs/dbraw/zinc/12/10/00/803121000.db2.gz OKFFORYMTMSJJX-HZPDHXFCSA-N 0 3 304.438 2.293 20 30 DEEDHN Cc1cc(=O)oc2cc([O-])c(O[C@H](CC#N)C[N+](C)(C)C)cc12 ZINC001226532799 803121062 /nfs/dbraw/zinc/12/10/62/803121062.db2.gz VIYXGFUPOZTVBT-GFCCVEGCSA-O 0 3 317.365 2.174 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@H](OCC)C(=C)C)CC1 ZINC001227629687 803263587 /nfs/dbraw/zinc/26/35/87/803263587.db2.gz ZYDXTFVXUBYPHL-KRWDZBQOSA-N 0 3 324.465 2.141 20 30 DEEDHN CC#CCCCC(=O)NC1CCN(CCOCC(C)C)CC1 ZINC001228770387 803408568 /nfs/dbraw/zinc/40/85/68/803408568.db2.gz LJRHDAVSENBZEB-UHFFFAOYSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001228801819 803416078 /nfs/dbraw/zinc/41/60/78/803416078.db2.gz ZJNYSKVHWKRLEX-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)COC(C)(C)C ZINC001368843990 1148709626 /nfs/dbraw/zinc/70/96/26/1148709626.db2.gz PSUFONPQUYHSCC-RYUDHWBXSA-N 0 3 323.462 2.418 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001331457407 1149462240 /nfs/dbraw/zinc/46/22/40/1149462240.db2.gz FPSHTUFPTMNCFU-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCC(=O)N1CCCCCC1 ZINC001331458294 1149466493 /nfs/dbraw/zinc/46/64/93/1149466493.db2.gz JYXLCZVVYYKYGI-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccnn1C(CC)CC ZINC001331468601 1149470315 /nfs/dbraw/zinc/47/03/15/1149470315.db2.gz DGUPZBBULVPKRA-AWEZNQCLSA-N 0 3 304.438 2.318 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001368856064 1148722192 /nfs/dbraw/zinc/72/21/92/1148722192.db2.gz JDXPTHDQCVCYOR-RYUDHWBXSA-N 0 3 324.856 2.066 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC001368856064 1148722200 /nfs/dbraw/zinc/72/22/00/1148722200.db2.gz JDXPTHDQCVCYOR-RYUDHWBXSA-N 0 3 324.856 2.066 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)CCCc1ccccc1 ZINC001331544225 1149523559 /nfs/dbraw/zinc/52/35/59/1149523559.db2.gz OXBQDBUBOXEWLN-KRWDZBQOSA-N 0 3 316.445 2.096 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CN(CCCC)C2)CC1 ZINC001328129959 1148728247 /nfs/dbraw/zinc/72/82/47/1148728247.db2.gz PYHIACQQUIOBMX-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC001343194943 1150707069 /nfs/dbraw/zinc/70/70/69/1150707069.db2.gz AMKFHOCHGRPOHB-SWLSCSKDSA-N 0 3 319.405 2.282 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C[C@H](C)c1c(C)noc1C ZINC001327224958 1148400907 /nfs/dbraw/zinc/40/09/07/1148400907.db2.gz IDIQTAKNRKIBKY-ZDUSSCGKSA-N 0 3 305.422 2.199 20 30 DEEDHN COc1cccc2cc(CNC(=O)[C@H](N)CCCC#N)oc21 ZINC001331831558 1149714722 /nfs/dbraw/zinc/71/47/22/1149714722.db2.gz GMULOOTUYNIPSY-CYBMUJFWSA-N 0 3 301.346 2.079 20 30 DEEDHN C=C(Cl)CN(C)CC1CCN(C(=O)Cn2cncc2C)CC1 ZINC001404618220 1163754544 /nfs/dbraw/zinc/75/45/44/1163754544.db2.gz KSUQCJRTYKJCFC-UHFFFAOYSA-N 0 3 324.856 2.114 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccccc1 ZINC001346765904 1151022290 /nfs/dbraw/zinc/02/22/90/1151022290.db2.gz ZZEYMQDTYDGLQN-WMZOPIPTSA-N 0 3 315.461 2.098 20 30 DEEDHN C[C@@H]1[C@@H](NCc2cncs2)CCN1C(=O)C#CC(C)(C)C ZINC001331885991 1149752481 /nfs/dbraw/zinc/75/24/81/1149752481.db2.gz HASMVQRJKIQAGA-OCCSQVGLSA-N 0 3 305.447 2.272 20 30 DEEDHN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001575118159 1069370336 /nfs/dbraw/zinc/37/03/36/1069370336.db2.gz BTNMAXUZHFCVMB-QAVLVDEHSA-N 0 3 303.450 2.457 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001368495717 1148467955 /nfs/dbraw/zinc/46/79/55/1148467955.db2.gz HSWRFFFEKBKJHY-OKILXGFUSA-N 0 3 324.856 2.164 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2[C@H]2CCCOC2)CC1 ZINC001527461709 1070485224 /nfs/dbraw/zinc/48/52/24/1070485224.db2.gz RSGNIFWNPBPMDW-DOTOQJQBSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)CCOCC(F)F ZINC001328751709 1148831267 /nfs/dbraw/zinc/83/12/67/1148831267.db2.gz AEEBHGJMBUXOHQ-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c(CC)nn(C)c1Cl ZINC001328782329 1148834823 /nfs/dbraw/zinc/83/48/23/1148834823.db2.gz YZHXZUHDZDQBGR-LBPRGKRZSA-N 0 3 324.856 2.358 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2cc(C)n(C)n2)C1 ZINC001328861783 1148842617 /nfs/dbraw/zinc/84/26/17/1148842617.db2.gz WFIZVRAFOIBGFQ-UHFFFAOYSA-N 0 3 318.465 2.315 20 30 DEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C#N)cn1 ZINC001451096933 1056672944 /nfs/dbraw/zinc/67/29/44/1056672944.db2.gz VFHSKBYPQBNBHE-UHFFFAOYSA-N 0 3 310.357 2.276 20 30 DEEDHN O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC(N2CCC2)CC1 ZINC001453777120 1057365688 /nfs/dbraw/zinc/36/56/88/1057365688.db2.gz XFOAAVBWUBZOHO-QPJJXVBHSA-N 0 3 316.376 2.105 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)CN(CC)CC ZINC001499930006 1058383065 /nfs/dbraw/zinc/38/30/65/1058383065.db2.gz VLVHFBWRHFQTGK-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(Cc2cccc(COC)c2)CC1 ZINC001500020143 1058436603 /nfs/dbraw/zinc/43/66/03/1058436603.db2.gz UIQNTEWQWWMZPI-UHFFFAOYSA-N 0 3 314.429 2.279 20 30 DEEDHN COCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CCCC1 ZINC001500063522 1058463456 /nfs/dbraw/zinc/46/34/56/1058463456.db2.gz KPUQPDWOCZAVNY-HNNXBMFYSA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1cncs1)C1CCCC1 ZINC001500076669 1058472896 /nfs/dbraw/zinc/47/28/96/1058472896.db2.gz JLTSJQOUHFGRGT-FZMZJTMJSA-N 0 3 306.435 2.067 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccsc2Cl)C1 ZINC001500736889 1059049761 /nfs/dbraw/zinc/04/97/61/1059049761.db2.gz ZIZVSRILAVICPE-CQSZACIVSA-N 0 3 314.838 2.144 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2nnc(C(C)C)[nH]2)C1 ZINC001501034268 1059221492 /nfs/dbraw/zinc/22/14/92/1059221492.db2.gz VSNAVOWKWMJCLE-KBPBESRZSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001501323301 1059449805 /nfs/dbraw/zinc/44/98/05/1059449805.db2.gz CYYXETRTTZPPGK-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(CC[C@@H](C)F)C1 ZINC001501327927 1059450260 /nfs/dbraw/zinc/45/02/60/1059450260.db2.gz VYJOUYYTXJDOTN-PBHICJAKSA-N 0 3 314.445 2.280 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329026935 1148858849 /nfs/dbraw/zinc/85/88/49/1148858849.db2.gz JRZCUVCPVMMTEE-IRXDYDNUSA-N 0 3 323.440 2.482 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](CCNCc2ccncc2Cl)C1 ZINC001501544793 1059541352 /nfs/dbraw/zinc/54/13/52/1059541352.db2.gz RWETUWRDJWGNCV-CHWSQXEVSA-N 0 3 320.824 2.223 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001467727240 1059690975 /nfs/dbraw/zinc/69/09/75/1059690975.db2.gz BKANJXVEVJDHPB-UHFFFAOYSA-N 0 3 320.393 2.065 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2cccc(C)c2)CCC1 ZINC001502025885 1059882536 /nfs/dbraw/zinc/88/25/36/1059882536.db2.gz HOJXWSNWHICDKG-UHFFFAOYSA-N 0 3 314.429 2.416 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C2(CCOC)CCC2)CC1 ZINC001502145068 1059990834 /nfs/dbraw/zinc/99/08/34/1059990834.db2.gz JVYAFFADGMYUSB-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C[C@@H](NC(=O)C#CC1CC1)[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001329040185 1148859999 /nfs/dbraw/zinc/85/99/99/1148859999.db2.gz WVCVAOKHAWVYLG-UONOGXRCSA-N 0 3 316.449 2.034 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001502905326 1060386179 /nfs/dbraw/zinc/38/61/79/1060386179.db2.gz AFXLSWJJKGMYEM-HIFRSBDPSA-N 0 3 308.447 2.420 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001505376761 1060514496 /nfs/dbraw/zinc/51/44/96/1060514496.db2.gz NXEMJYRBXRNKSS-LSDHHAIUSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc2cccnc2n1 ZINC001505431330 1060582460 /nfs/dbraw/zinc/58/24/60/1060582460.db2.gz TVAGGYXWHVDQHY-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C2CC2)n(C)n1 ZINC001505433103 1060590404 /nfs/dbraw/zinc/59/04/04/1060590404.db2.gz ZKQNYCHBKMDEFJ-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nn(C)c2ccccc12 ZINC001505455742 1060625941 /nfs/dbraw/zinc/62/59/41/1060625941.db2.gz HEDFHKIAZHMLSM-AWEZNQCLSA-N 0 3 312.417 2.296 20 30 DEEDHN COCCCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001505565901 1060717758 /nfs/dbraw/zinc/71/77/58/1060717758.db2.gz MTDJUKSIWNADJX-HUUCEWRRSA-N 0 3 320.408 2.087 20 30 DEEDHN C[C@@H](CNC(=O)CSCC#N)N(C)CCc1ccccc1F ZINC001505871808 1061064971 /nfs/dbraw/zinc/06/49/71/1061064971.db2.gz WZKHUTFEVPVFNM-ZDUSSCGKSA-N 0 3 323.437 2.061 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001505886072 1061089742 /nfs/dbraw/zinc/08/97/42/1061089742.db2.gz DUQPPLTUQJCBHO-KGLIPLIRSA-N 0 3 310.401 2.331 20 30 DEEDHN CN(C)[C@H](CNC(=O)Nc1ccnc(C#N)c1)c1ccccc1 ZINC001476945196 1061127123 /nfs/dbraw/zinc/12/71/23/1061127123.db2.gz FOLQPUWDONKCAS-MRXNPFEDSA-N 0 3 309.373 2.378 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1ccc(C)c(F)c1 ZINC001505957450 1061174848 /nfs/dbraw/zinc/17/48/48/1061174848.db2.gz SRGKNKOLWKZVMF-CQSZACIVSA-N 0 3 308.397 2.387 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1OC ZINC001479263729 1061348065 /nfs/dbraw/zinc/34/80/65/1061348065.db2.gz NNWJWPAIHFADIX-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@@H](NCc2csnc2OC)C1 ZINC001479438052 1061455539 /nfs/dbraw/zinc/45/55/39/1061455539.db2.gz CAXYCINVKFLRJQ-GXTWGEPZSA-N 0 3 323.462 2.492 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC001479654690 1061563195 /nfs/dbraw/zinc/56/31/95/1061563195.db2.gz NMGXZHLRRKDREI-INIZCTEOSA-N 0 3 322.474 2.152 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(CCOCC2CC2)[C@@H]1C ZINC001479715477 1061635763 /nfs/dbraw/zinc/63/57/63/1061635763.db2.gz AEEMLYWEORZIMM-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)C/C=C\Cl)cn1 ZINC001479860042 1061931639 /nfs/dbraw/zinc/93/16/39/1061931639.db2.gz PRXJVCHWMXGJDA-UITAMQMPSA-N 0 3 305.809 2.257 20 30 DEEDHN COCC#CCN(CCCNC(=O)C12CCC(CC1)C2)C1CC1 ZINC001479870643 1061961788 /nfs/dbraw/zinc/96/17/88/1061961788.db2.gz KJWMGNGXZKEDFN-UHFFFAOYSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccnc1C(F)F)C1CC1 ZINC001479873221 1061969285 /nfs/dbraw/zinc/96/92/85/1061969285.db2.gz ZBAAUPLCNFKEHP-UHFFFAOYSA-N 0 3 307.344 2.237 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@](C)(NC(=O)[C@H](CC)N(C)C)C1 ZINC001506492630 1062038695 /nfs/dbraw/zinc/03/86/95/1062038695.db2.gz CSPVBXZQWPEOOB-KSSFIOAISA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COCCc2ccccc2)C1 ZINC001479972296 1062134095 /nfs/dbraw/zinc/13/40/95/1062134095.db2.gz PZMZIWAXLJFSNP-QGZVFWFLSA-N 0 3 302.418 2.012 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001479981818 1062142593 /nfs/dbraw/zinc/14/25/93/1062142593.db2.gz RNAMZVCDSQPISN-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](OCC)C(C)C)CC1 ZINC001479980389 1062143032 /nfs/dbraw/zinc/14/30/32/1062143032.db2.gz GTJCONULGSLOHN-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2cccc(F)c2)C1 ZINC001506584360 1062157629 /nfs/dbraw/zinc/15/76/29/1062157629.db2.gz HBCINUYNGQCAJE-ZDUSSCGKSA-N 0 3 306.381 2.078 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001506643413 1062225029 /nfs/dbraw/zinc/22/50/29/1062225029.db2.gz YEUVWZUYWDGROY-WCXIOVBPSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2cnc(C)nc2)C2CC2)C1 ZINC001480045192 1062233716 /nfs/dbraw/zinc/23/37/16/1062233716.db2.gz WAUAZNQOKCZJGD-INIZCTEOSA-N 0 3 314.433 2.126 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCC1 ZINC001480098082 1062323583 /nfs/dbraw/zinc/32/35/83/1062323583.db2.gz KMPNARXKDKUXJH-IXDOHACOSA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cnc(CC(C)C)s2)C1 ZINC001480122897 1062350986 /nfs/dbraw/zinc/35/09/86/1062350986.db2.gz CSYUHFZSPILPHC-ZDUSSCGKSA-N 0 3 305.447 2.169 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2ncccc2C)C1 ZINC001480131381 1062364037 /nfs/dbraw/zinc/36/40/37/1062364037.db2.gz UXEUBANEJPAIQH-JYJNAYRXSA-N 0 3 317.433 2.108 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cscn2)C(C)(C)C1 ZINC001506752417 1062365817 /nfs/dbraw/zinc/36/58/17/1062365817.db2.gz IFEDLAHNMCGNFY-AWEZNQCLSA-N 0 3 307.463 2.478 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](NCc2cc(C)ccc2F)C1 ZINC001480136337 1062370580 /nfs/dbraw/zinc/37/05/80/1062370580.db2.gz FSCYACMMZSLXPG-IIDMSEBBSA-N 0 3 320.408 2.198 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3c(C)onc3CC)C[C@H]21 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305.447 2.095 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001506899598 1062488737 /nfs/dbraw/zinc/48/87/37/1062488737.db2.gz MRCSATLYINYAIU-HDJSIYSDSA-N 0 3 324.856 2.370 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)Cc1c(C)noc1C ZINC001506947813 1062576115 /nfs/dbraw/zinc/57/61/15/1062576115.db2.gz CWQMXHUKBGWQID-NSHDSACASA-N 0 3 313.829 2.461 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(CC)CC)C1 ZINC001329124882 1148866876 /nfs/dbraw/zinc/86/68/76/1148866876.db2.gz GQVOYUYWPSUBJJ-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](C)NCc1ccccc1OC1CC1 ZINC001507058403 1062750691 /nfs/dbraw/zinc/75/06/91/1062750691.db2.gz AYGNURXAYBLDQK-ZIAGYGMSSA-N 0 3 315.417 2.324 20 30 DEEDHN C=CCOCC(=O)NC1CCC(NCc2ncc(C)s2)CC1 ZINC001480400020 1062803892 /nfs/dbraw/zinc/80/38/92/1062803892.db2.gz FBCCVNJMFDCXME-UHFFFAOYSA-N 0 3 323.462 2.171 20 30 DEEDHN C=C(Cl)CN[C@H](C)CN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001507162106 1062937550 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2.374 20 30 DEEDHN Cc1cc([C@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(C)o1 ZINC001579567881 1067374299 /nfs/dbraw/zinc/37/42/99/1067374299.db2.gz LEXUOMSGUFADEK-MZYOMISDSA-N 0 3 301.390 2.213 20 30 DEEDHN Cc1csc(N(CC(F)(F)F)C(=O)[C@H](N)CCCC#N)n1 ZINC001579834517 1067434605 /nfs/dbraw/zinc/43/46/05/1067434605.db2.gz DTSFSLLBMWSSEZ-SECBINFHSA-N 0 3 320.340 2.368 20 30 DEEDHN Cc1ncoc1CNC[C@@H]1CCCC[C@@H]1NC(=O)C#CC(C)C ZINC001483434200 1078529780 /nfs/dbraw/zinc/52/97/80/1078529780.db2.gz KHRDUUHIBBCVHO-HOTGVXAUSA-N 0 3 317.433 2.407 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@]1(c2ccccc2)CCCO1 ZINC001580050575 1067481738 /nfs/dbraw/zinc/48/17/38/1067481738.db2.gz FSVMZTQFHCWPOQ-FUHWJXTLSA-N 0 3 315.417 2.220 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001483440400 1078533006 /nfs/dbraw/zinc/53/30/06/1078533006.db2.gz FKFJDGOQFWWBLE-GJZGRUSLSA-N 0 3 319.453 2.234 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001580245978 1067538370 /nfs/dbraw/zinc/53/83/70/1067538370.db2.gz KBLSTFANFZTZSD-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)OC ZINC001638401669 1078563694 /nfs/dbraw/zinc/56/36/94/1078563694.db2.gz TXYUOZDZVMQXPW-CABCVRRESA-N 0 3 310.438 2.265 20 30 DEEDHN C=C(Cl)CNCCc1ccc(CNC(=O)c2ccon2)cc1 ZINC001267095279 1078569505 /nfs/dbraw/zinc/56/95/05/1078569505.db2.gz LVGDZEJYBZYBDR-UHFFFAOYSA-N 0 3 319.792 2.489 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2scnc2CC)C1 ZINC001267104483 1078580309 /nfs/dbraw/zinc/58/03/09/1078580309.db2.gz QVQCZPWZVUYUJE-ZDUSSCGKSA-N 0 3 305.447 2.265 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(CC)CCOCC2)C1 ZINC001267113575 1078591535 /nfs/dbraw/zinc/59/15/35/1078591535.db2.gz OADBUNDTSSHVOD-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC001267114158 1078591792 /nfs/dbraw/zinc/59/17/92/1078591792.db2.gz XTLKDRXBNMUDFV-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN CC#CCNCCN(C)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC001267125549 1078601103 /nfs/dbraw/zinc/60/11/03/1078601103.db2.gz BMHDXGPPKGTTGT-HNNXBMFYSA-N 0 3 302.418 2.260 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1csc2cncn21 ZINC001570541984 1067995658 /nfs/dbraw/zinc/99/56/58/1067995658.db2.gz NFKOROOKRORTFC-LBPRGKRZSA-N 0 3 304.419 2.118 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)Nc1ccccc1 ZINC001570606759 1068034199 /nfs/dbraw/zinc/03/41/99/1068034199.db2.gz BVHRAEJUYNTBHG-HUUCEWRRSA-N 0 3 317.433 2.464 20 30 DEEDHN C=CCCC(=O)N(C)C1CCC(NCc2ccn(C)n2)CC1 ZINC001570659057 1068060048 /nfs/dbraw/zinc/06/00/48/1068060048.db2.gz WUOFKKHVYXFQDT-UHFFFAOYSA-N 0 3 304.438 2.246 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001570848232 1068139105 /nfs/dbraw/zinc/13/91/05/1068139105.db2.gz ULLXDHQSNUYSCT-HNNXBMFYSA-N 0 3 314.429 2.006 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)CCOc2ccccc2)C1 ZINC001570862102 1068144174 /nfs/dbraw/zinc/14/41/74/1068144174.db2.gz PRTUEWKGTSHTAF-HNNXBMFYSA-N 0 3 302.418 2.468 20 30 DEEDHN Cc1cccc(OCCN(C)CCNC(=O)C#CC(C)(C)C)c1 ZINC001267194763 1078657361 /nfs/dbraw/zinc/65/73/61/1078657361.db2.gz XQESOCQCTCPJSG-UHFFFAOYSA-N 0 3 316.445 2.471 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CN(CCn2cccn2)CC1(C)C ZINC001570902412 1068156508 /nfs/dbraw/zinc/15/65/08/1068156508.db2.gz RTPRLTPIKABRQO-HOTGVXAUSA-N 0 3 318.465 2.312 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001511167951 1068224585 /nfs/dbraw/zinc/22/45/85/1068224585.db2.gz DGXACHJLAIHVHQ-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN COCCC(=O)NCCCN(CC#Cc1ccccc1)C(C)C ZINC001267222257 1078676496 /nfs/dbraw/zinc/67/64/96/1078676496.db2.gz JYHYIOLWVSDAOI-UHFFFAOYSA-N 0 3 316.445 2.291 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccc(Cl)cc1C ZINC001571403300 1068278532 /nfs/dbraw/zinc/27/85/32/1068278532.db2.gz OQLNDUDNGNOBSA-CQSZACIVSA-N 0 3 322.836 2.348 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccnc(OC2CCC2)c1 ZINC001571411269 1068281646 /nfs/dbraw/zinc/28/16/46/1068281646.db2.gz AAQFWPKODQKIEC-AWEZNQCLSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCCC(=O)NCCN(CC)Cc1ccc2c(c1)OCCO2 ZINC001267238416 1078689412 /nfs/dbraw/zinc/68/94/12/1078689412.db2.gz MZNJPCLYKGWYND-UHFFFAOYSA-N 0 3 318.417 2.362 20 30 DEEDHN CCOCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001571472504 1068322302 /nfs/dbraw/zinc/32/23/02/1068322302.db2.gz FDXHGFWNFVEESV-QWHCGFSZSA-N 0 3 321.446 2.125 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(F)c2F)C1 ZINC001571488049 1068342640 /nfs/dbraw/zinc/34/26/40/1068342640.db2.gz ZBZLUTGVLQHDAE-TZMCWYRMSA-N 0 3 306.356 2.110 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)C2(F)CCCCC2)CC1(C)C ZINC001571566577 1068424031 /nfs/dbraw/zinc/42/40/31/1068424031.db2.gz VXBWHBCGLMLTAW-OAHLLOKOSA-N 0 3 324.440 2.135 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC001571646577 1068457060 /nfs/dbraw/zinc/45/70/60/1068457060.db2.gz ZVBSPXGBPHFOND-QAPCUYQASA-N 0 3 320.477 2.432 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)c2cocc2C)CC1 ZINC001571645265 1068457231 /nfs/dbraw/zinc/45/72/31/1068457231.db2.gz YHEJGLQLYQCNKR-OAHLLOKOSA-N 0 3 318.417 2.068 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001267278037 1078725056 /nfs/dbraw/zinc/72/50/56/1078725056.db2.gz DZTGAGOTWAVHFE-OAHLLOKOSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001267278036 1078725492 /nfs/dbraw/zinc/72/54/92/1078725492.db2.gz DZTGAGOTWAVHFE-HNNXBMFYSA-N 0 3 323.824 2.132 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H]2CCN(CC#CC)C2)cc1 ZINC001267293567 1078739941 /nfs/dbraw/zinc/73/99/41/1078739941.db2.gz VJHFIELFLZBHMA-KRWDZBQOSA-N 0 3 324.424 2.164 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001572260073 1068708254 /nfs/dbraw/zinc/70/82/54/1068708254.db2.gz RQSDVVQTGSXIQY-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](CNCC=C(Cl)Cl)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001268056091 1079981920 /nfs/dbraw/zinc/98/19/20/1079981920.db2.gz DKXUGMROKKQAGL-VIFPVBQESA-N 0 3 315.204 2.255 20 30 DEEDHN C[C@H](C(=O)N(C)CCNCc1ccc(C#N)s1)n1cccc1 ZINC001267365102 1078796716 /nfs/dbraw/zinc/79/67/16/1078796716.db2.gz WPDWUAYHLSSDBO-CYBMUJFWSA-N 0 3 316.430 2.230 20 30 DEEDHN COCC[C@@H](N)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001573978774 1069138839 /nfs/dbraw/zinc/13/88/39/1069138839.db2.gz YLOWTYKIKHWUGY-MRXNPFEDSA-N 0 3 314.410 2.450 20 30 DEEDHN COCC[C@@H](N)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001573977312 1069139083 /nfs/dbraw/zinc/13/90/83/1069139083.db2.gz AWVGPCHSCDQWKX-GOSISDBHSA-N 0 3 308.381 2.389 20 30 DEEDHN CC(C)c1cccc(CN[C@@H](C)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001369241722 1148879331 /nfs/dbraw/zinc/87/93/31/1148879331.db2.gz VBSPLJWREIOZRM-KGLIPLIRSA-N 0 3 302.422 2.301 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC001521687172 1069263359 /nfs/dbraw/zinc/26/33/59/1069263359.db2.gz RMYIGRMTVLBXQV-RHSMWYFYSA-N 0 3 310.438 2.108 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC001483724929 1078881317 /nfs/dbraw/zinc/88/13/17/1078881317.db2.gz MOSGUEQSHDMALH-FVQHAEBGSA-N 0 3 309.413 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC001574857598 1069279860 /nfs/dbraw/zinc/27/98/60/1069279860.db2.gz WKKIXMGDLZOLBR-MFKMUULPSA-N 0 3 312.797 2.351 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2cnn(C)c2)c(C)n1 ZINC001574908881 1069294568 /nfs/dbraw/zinc/29/45/68/1069294568.db2.gz ZNIKJQGIQKGAFO-HNNXBMFYSA-N 0 3 313.405 2.413 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC001267520765 1078949786 /nfs/dbraw/zinc/94/97/86/1078949786.db2.gz NTFQBDMVCDSEFZ-IAGOWNOFSA-N 0 3 324.428 2.079 20 30 DEEDHN C#CCCN[C@H](CNC(=O)Cc1cscn1)c1ccccc1 ZINC001267522973 1078953362 /nfs/dbraw/zinc/95/33/62/1078953362.db2.gz OKKQGWYCWHLRCX-MRXNPFEDSA-N 0 3 313.426 2.156 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)Cc2cccc(F)c2)CCC1 ZINC001280547346 1078959001 /nfs/dbraw/zinc/95/90/01/1078959001.db2.gz FRVAWRDICOOGCP-CQSZACIVSA-N 0 3 302.393 2.266 20 30 DEEDHN C=C(C)CN1CC2(CCC1=O)CCN(Cc1cn[nH]c1)CC2 ZINC001272550933 1078959162 /nfs/dbraw/zinc/95/91/62/1078959162.db2.gz OCLJRTNLYRMCSP-UHFFFAOYSA-N 0 3 302.422 2.190 20 30 DEEDHN CCCN(C(=O)C#CC1CC1)[C@H]1CCN(CCOC(C)C)C1 ZINC001267542234 1078972684 /nfs/dbraw/zinc/97/26/84/1078972684.db2.gz RYKIRPZFGPWBFX-KRWDZBQOSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCC1(C(=O)NCC[C@@H]2CCN(CCF)C2)CCOCC1 ZINC001267566629 1079000761 /nfs/dbraw/zinc/00/07/61/1079000761.db2.gz FUVLJQCXQOZJJO-OAHLLOKOSA-N 0 3 312.429 2.157 20 30 DEEDHN CCN(CCNC(=O)[C@H]1C[C@@H]1C(F)F)Cc1cccc(C#N)c1 ZINC001480972497 1079015962 /nfs/dbraw/zinc/01/59/62/1079015962.db2.gz OXWWTYWDAQCVNH-GJZGRUSLSA-N 0 3 321.371 2.398 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(CC)[C@@H](C)c1cccc(F)c1 ZINC001480974605 1079019326 /nfs/dbraw/zinc/01/93/26/1079019326.db2.gz PPYWXMYLZOOXPK-LSDHHAIUSA-N 0 3 320.408 2.363 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](CN(C)Cc2ccc(F)cn2)C1 ZINC001267581078 1079074608 /nfs/dbraw/zinc/07/46/08/1079074608.db2.gz ISEAHWAGINCDOU-OAHLLOKOSA-N 0 3 317.408 2.160 20 30 DEEDHN CC(=NO)[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C)C1(C)C ZINC001550416198 1073643117 /nfs/dbraw/zinc/64/31/17/1073643117.db2.gz UGEXIIQLSOBMLL-GBJTYRQASA-N 0 3 307.438 2.194 20 30 DEEDHN Cc1ccc(F)c(CN2CC[C@H](CNC(=O)[C@H](C)C#N)C2)c1 ZINC001481083379 1079166711 /nfs/dbraw/zinc/16/67/11/1079166711.db2.gz KJYIGAJIGBJFQN-ZIAGYGMSSA-N 0 3 303.381 2.232 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001481113852 1079197496 /nfs/dbraw/zinc/19/74/96/1079197496.db2.gz ANWDWRUQSLTFOL-LBPRGKRZSA-N 0 3 310.850 2.405 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)N(C)C(C)C ZINC001483946173 1079201807 /nfs/dbraw/zinc/20/18/07/1079201807.db2.gz NIWRHJGDUZYYES-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C(=O)COC1CCCCC1)C1CCN(CC=C)CC1 ZINC001483984069 1079225825 /nfs/dbraw/zinc/22/58/25/1079225825.db2.gz QUXDBXXNVZWXGD-UHFFFAOYSA-N 0 3 318.461 2.448 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2ccn(C)n2)C[C@H]1C ZINC001671246254 1079228828 /nfs/dbraw/zinc/22/88/28/1079228828.db2.gz RKOYFJMJKMBLOC-HZPDHXFCSA-N 0 3 316.449 2.083 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(C(=O)OCC)c1ccccc1 ZINC001646173587 1074359749 /nfs/dbraw/zinc/35/97/49/1074359749.db2.gz WLQCMRRZIVNECD-CJNGLKHVSA-N 0 3 324.808 2.051 20 30 DEEDHN C=C(Cl)CN1CC[C@](C)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001484061737 1079281156 /nfs/dbraw/zinc/28/11/56/1079281156.db2.gz PCNAIWVDPNLOTM-INIZCTEOSA-N 0 3 315.889 2.297 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cn(CC)nn2)C1 ZINC001267619354 1079281772 /nfs/dbraw/zinc/28/17/72/1079281772.db2.gz IMPBZTSZRJJMHF-OAHLLOKOSA-N 0 3 319.453 2.239 20 30 DEEDHN Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001646678174 1074545639 /nfs/dbraw/zinc/54/56/39/1074545639.db2.gz ZSXDXDKSESYGRK-KGLIPLIRSA-N 0 3 316.453 2.000 20 30 DEEDHN Cc1cnc(CNC[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)s1 ZINC001484092450 1079298954 /nfs/dbraw/zinc/29/89/54/1079298954.db2.gz AQVLXGMSESGDNG-QGZVFWFLSA-N 0 3 317.458 2.193 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1cscn1 ZINC001272680753 1079317487 /nfs/dbraw/zinc/31/74/87/1079317487.db2.gz SAOQKBHAUHHEAK-VIFPVBQESA-N 0 3 318.240 2.150 20 30 DEEDHN C=C(C)CN(CCNC(=O)Cc1cccc(OC)c1)C1CC1 ZINC001481195202 1079322675 /nfs/dbraw/zinc/32/26/75/1079322675.db2.gz KURWQEIOUCHHBY-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN(CCNC(=O)COc1ccc(C)cc1C)C1CC1 ZINC001481197324 1079327036 /nfs/dbraw/zinc/32/70/36/1079327036.db2.gz YDELMKTWABZOQY-UHFFFAOYSA-N 0 3 302.418 2.449 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(CC2CCC(O)CC2)CC1 ZINC001649971170 1079330798 /nfs/dbraw/zinc/33/07/98/1079330798.db2.gz UHAQPFBMUBXRRE-UHFFFAOYSA-N 0 3 317.408 2.370 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001484165829 1079341004 /nfs/dbraw/zinc/34/10/04/1079341004.db2.gz ZKWFSXUSELWKKR-QGZVFWFLSA-N 0 3 304.438 2.482 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCN(C)C2)n1C ZINC001647678545 1074968034 /nfs/dbraw/zinc/96/80/34/1074968034.db2.gz ZGQYWQYYXGRMHE-MRXNPFEDSA-N 0 3 324.432 2.132 20 30 DEEDHN CCn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)C#N ZINC001647696525 1074972623 /nfs/dbraw/zinc/97/26/23/1074972623.db2.gz NBTQPWJMUAWMAR-UHFFFAOYSA-N 0 3 304.442 2.020 20 30 DEEDHN C=CCC[C@H](C(=O)N1CC(N[C@H]2CCOC2)C1)c1ccccc1 ZINC001647773028 1074981165 /nfs/dbraw/zinc/98/11/65/1074981165.db2.gz LGECEAOJCDHTNL-WMZOPIPTSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(CC(F)(F)F)C(C)C ZINC001559796775 1075129302 /nfs/dbraw/zinc/12/93/02/1075129302.db2.gz WBMXSXZCUIMXQI-UHFFFAOYSA-N 0 3 323.403 2.225 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@@H](C)c2ccccc2F)C1 ZINC001484245912 1079366317 /nfs/dbraw/zinc/36/63/17/1079366317.db2.gz YWLZSBHKDVTEMA-KDOFPFPSSA-N 0 3 320.408 2.058 20 30 DEEDHN [O-]c1ccc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c(F)c1F ZINC001560984176 1075149154 /nfs/dbraw/zinc/14/91/54/1075149154.db2.gz RTBZDNMECNPUQU-ZETCQYMHSA-N 0 3 321.192 2.319 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1 ZINC001565961542 1075155845 /nfs/dbraw/zinc/15/58/45/1075155845.db2.gz YYKVJYXQWRRTSJ-WBVHZDCISA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2sccc2C(F)F)C1 ZINC001484248624 1079368234 /nfs/dbraw/zinc/36/82/34/1079368234.db2.gz PDXPIWTXXFZTKY-AWEZNQCLSA-N 0 3 316.373 2.038 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001565821376 1075189144 /nfs/dbraw/zinc/18/91/44/1075189144.db2.gz JRAUYFPPWCNPPT-VVLHAWIVSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](OC)C(F)(F)F ZINC001565829517 1075192287 /nfs/dbraw/zinc/19/22/87/1075192287.db2.gz IFFDZZSAGAGEBN-NEPJUHHUSA-N 0 3 308.344 2.063 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@](C)(NC(C)=O)C(C)C ZINC001565835164 1075193319 /nfs/dbraw/zinc/19/33/19/1075193319.db2.gz IKFLPABMFPKZQT-FUHWJXTLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001565834963 1075193591 /nfs/dbraw/zinc/19/35/91/1075193591.db2.gz FGUUDXICLGILGP-ROUUACIJSA-N 0 3 315.461 2.398 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001565913285 1075205406 /nfs/dbraw/zinc/20/54/06/1075205406.db2.gz BDDUIEUQAAFUST-XHTKRDSESA-N 0 3 318.392 2.207 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1[C@@H]2CCCN(CC#CC)[C@H]2C1(C)C ZINC001565995218 1075214524 /nfs/dbraw/zinc/21/45/24/1075214524.db2.gz POFOSILRZAAOAY-CGTJXYLNSA-N 0 3 318.461 2.208 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@@H]2C1 ZINC001566044644 1075221067 /nfs/dbraw/zinc/22/10/67/1075221067.db2.gz NHOSHINXMCUGPF-SJORKVTESA-N 0 3 320.477 2.099 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2nc(CC)no2)[C@H]1C ZINC001566114012 1075230960 /nfs/dbraw/zinc/23/09/60/1075230960.db2.gz SBCTWBOAJKFWQD-KGLIPLIRSA-N 0 3 320.437 2.110 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001566130515 1075234420 /nfs/dbraw/zinc/23/44/20/1075234420.db2.gz YHOOLXGWRNTDOP-QGZVFWFLSA-N 0 3 318.461 2.047 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(COC)CCCC2)CC(C)(C)C1 ZINC001566130295 1075234887 /nfs/dbraw/zinc/23/48/87/1075234887.db2.gz UISWBSZZIIPQON-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)CC(C)=C(C)C)CC1 ZINC001566642382 1075303826 /nfs/dbraw/zinc/30/38/26/1075303826.db2.gz AUSPJIWFYNCTTJ-UHFFFAOYSA-N 0 3 307.482 2.433 20 30 DEEDHN C=CCC1(C(=O)NCCN2CCN(C(C)C)CC2)CCCC1 ZINC001566654422 1075305533 /nfs/dbraw/zinc/30/55/33/1075305533.db2.gz UDZUIXXPRMLYQH-UHFFFAOYSA-N 0 3 307.482 2.265 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CC)OC2CCCC2)CC1 ZINC001566692641 1075319304 /nfs/dbraw/zinc/31/93/04/1075319304.db2.gz JMJZFEJWLBSVGN-DLBZAZTESA-N 0 3 318.461 2.328 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CC(C)C)OC)CC1 ZINC001566692649 1075319691 /nfs/dbraw/zinc/31/96/91/1075319691.db2.gz JRPRTRKTDQCWHR-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cccc(=O)[nH]2)CC1 ZINC001566697310 1075320508 /nfs/dbraw/zinc/32/05/08/1075320508.db2.gz UYJAMBRZQFDBFN-UHFFFAOYSA-N 0 3 303.406 2.290 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C2CCc3ccccc3CC2)C1 ZINC001566768379 1075339706 /nfs/dbraw/zinc/33/97/06/1075339706.db2.gz NZESTEPJJJEJCV-IBGZPJMESA-N 0 3 310.441 2.395 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1CC[C@H](NC/C=C/Cl)C1 ZINC001566778505 1075341796 /nfs/dbraw/zinc/34/17/96/1075341796.db2.gz JKGSHBRCNFQLJB-WQRDJFRPSA-N 0 3 302.805 2.371 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCOCC2CC2)C1 ZINC001566824316 1075353834 /nfs/dbraw/zinc/35/38/34/1075353834.db2.gz HIHXIMNYSANKFZ-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2(COC)CC2)C1 ZINC001566825065 1075353885 /nfs/dbraw/zinc/35/38/85/1075353885.db2.gz QOEGYHCGVZNRLM-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(F)(F)C(F)F)C1 ZINC001566825958 1075355005 /nfs/dbraw/zinc/35/50/05/1075355005.db2.gz CHSHFVHCARIJCF-NWDGAFQWSA-N 0 3 320.330 2.223 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC(F)(F)C(F)F)C1 ZINC001566851807 1075362346 /nfs/dbraw/zinc/36/23/46/1075362346.db2.gz AQQSOOCRFOWVBQ-OCAPTIKFSA-N 0 3 302.699 2.266 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCO1 ZINC001267711056 1079398093 /nfs/dbraw/zinc/39/80/93/1079398093.db2.gz ISKHTCAEAPPQBS-OKZBNKHCSA-N 0 3 318.461 2.424 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1cnccc1C ZINC001566918746 1075385184 /nfs/dbraw/zinc/38/51/84/1075385184.db2.gz WXMCTGHHWAKTFH-MRXNPFEDSA-N 0 3 317.433 2.177 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2C)C1 ZINC001566957817 1075399161 /nfs/dbraw/zinc/39/91/61/1075399161.db2.gz JJLKHBNPSROVNZ-ZBFHGGJFSA-N 0 3 318.417 2.068 20 30 DEEDHN Cc1cc(CNC2CCC(NC(=O)C#CC(C)C)CC2)on1 ZINC001566984269 1075408454 /nfs/dbraw/zinc/40/84/54/1075408454.db2.gz ZDMXRXGCLWUPKS-UHFFFAOYSA-N 0 3 303.406 2.159 20 30 DEEDHN CC(C)CO[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001481212281 1079404136 /nfs/dbraw/zinc/40/41/36/1079404136.db2.gz XRBXFPZKUNQXAT-CYBMUJFWSA-N 0 3 323.462 2.229 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2cc(OC)no2)C1 ZINC001567163872 1075449326 /nfs/dbraw/zinc/44/93/26/1075449326.db2.gz ZLUYHNWDRFGIIA-OLZOCXBDSA-N 0 3 307.394 2.166 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 ZINC001567196391 1075461076 /nfs/dbraw/zinc/46/10/76/1075461076.db2.gz KIRZYXVWEGNSLY-CQSZACIVSA-N 0 3 303.406 2.358 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2snnc2C)C1 ZINC001567229792 1075468673 /nfs/dbraw/zinc/46/86/73/1075468673.db2.gz YNOUXNRGSPYBPM-NSHDSACASA-N 0 3 308.451 2.187 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2cc3n(n2)CCC3)C1 ZINC001567228586 1075469059 /nfs/dbraw/zinc/46/90/59/1075469059.db2.gz BURHKPVTDQAAIG-CQSZACIVSA-N 0 3 316.449 2.170 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN(C)Cc1ccc(Cl)cc1C ZINC001567281467 1075485953 /nfs/dbraw/zinc/48/59/53/1075485953.db2.gz OBRNLHWRSXUEIR-CQSZACIVSA-N 0 3 322.836 2.235 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)OCc2ccncc2)C1 ZINC001267772213 1079480518 /nfs/dbraw/zinc/48/05/18/1079480518.db2.gz TZSNVZZFFYHAKZ-WBVHZDCISA-N 0 3 317.433 2.096 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)on1 ZINC001481262866 1079487844 /nfs/dbraw/zinc/48/78/44/1079487844.db2.gz OPJJLCFURLJZTR-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001580376135 1075913129 /nfs/dbraw/zinc/91/31/29/1075913129.db2.gz YNOTXOHLFTUABG-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001580966587 1076026037 /nfs/dbraw/zinc/02/60/37/1076026037.db2.gz DKZVIWZFUOWJEQ-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001584150105 1076290112 /nfs/dbraw/zinc/29/01/12/1076290112.db2.gz MMBVZDNPYRRIFF-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)CCN1C ZINC001586631517 1076403093 /nfs/dbraw/zinc/40/30/93/1076403093.db2.gz OBZNYAOBJYTCSH-XHTKRDSESA-N 0 3 318.392 2.349 20 30 DEEDHN C#CCSCC[NH2+][C@@H](CC)c1cccc(-c2nnn[n-]2)c1 ZINC001588363875 1076442961 /nfs/dbraw/zinc/44/29/61/1076442961.db2.gz GYHIXHOVBUOXMI-AWEZNQCLSA-N 0 3 301.419 2.274 20 30 DEEDHN C#CCSCC[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1 ZINC001588363875 1076442965 /nfs/dbraw/zinc/44/29/65/1076442965.db2.gz GYHIXHOVBUOXMI-AWEZNQCLSA-N 0 3 301.419 2.274 20 30 DEEDHN C#Cc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC001588373642 1076444145 /nfs/dbraw/zinc/44/41/45/1076444145.db2.gz PWJSQSBACDLYDC-UHFFFAOYSA-N 0 3 319.368 2.146 20 30 DEEDHN C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961160 1076535890 /nfs/dbraw/zinc/53/58/90/1076535890.db2.gz BNEXHLRXXWNRES-HIFPTAJRSA-N 0 3 311.393 2.242 20 30 DEEDHN C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589961160 1076535895 /nfs/dbraw/zinc/53/58/95/1076535895.db2.gz BNEXHLRXXWNRES-HIFPTAJRSA-N 0 3 311.393 2.242 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](CC)NCc1cc(C)ccc1F ZINC001267805564 1079506749 /nfs/dbraw/zinc/50/67/49/1079506749.db2.gz QHOPDQOVOIFQIT-GOEBONIOSA-N 0 3 320.408 2.157 20 30 DEEDHN C=C(C)CCC(=O)N[C@](C)(CN[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001267853757 1079541776 /nfs/dbraw/zinc/54/17/76/1079541776.db2.gz QUYRSOIIBYKXJT-YVEFUNNKSA-N 0 3 319.453 2.405 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@@H]1CNCc1ccccc1C#N ZINC001484374856 1079574062 /nfs/dbraw/zinc/57/40/62/1079574062.db2.gz BWBYIDHUGDTWTJ-YOEHRIQHSA-N 0 3 317.408 2.492 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)cc1 ZINC001267937603 1079618234 /nfs/dbraw/zinc/61/82/34/1079618234.db2.gz ZXVLGSHDZAHLND-UHFFFAOYSA-N 0 3 323.396 2.057 20 30 DEEDHN CC(C)C#CC(=O)NCCC1CCN(Cc2ccccn2)CC1 ZINC001267943428 1079622384 /nfs/dbraw/zinc/62/23/84/1079622384.db2.gz NANNSCTXHPNOSW-UHFFFAOYSA-N 0 3 313.445 2.459 20 30 DEEDHN CCc1onc(C)c1CNC[C@H]1CCCN1C(=O)C#CC(C)C ZINC001267955166 1079635400 /nfs/dbraw/zinc/63/54/00/1079635400.db2.gz KXFGWYGNAKDWHX-OAHLLOKOSA-N 0 3 317.433 2.285 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCN[C@H](C)C(=O)NC1CCCC1 ZINC001481284859 1079636422 /nfs/dbraw/zinc/63/64/22/1079636422.db2.gz JPUHSNBHOJFPFY-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001484614276 1079681854 /nfs/dbraw/zinc/68/18/54/1079681854.db2.gz OPBZJJBCBLFDGS-FUHWJXTLSA-N 0 3 309.413 2.168 20 30 DEEDHN C=CCOCCN1CCc2c(CNC(=O)C3CC3)cccc2C1 ZINC001484610691 1079685325 /nfs/dbraw/zinc/68/53/25/1079685325.db2.gz VHRXHQWEUWLQQH-UHFFFAOYSA-N 0 3 314.429 2.274 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2ccnn2C)CCC1 ZINC001484650380 1079708976 /nfs/dbraw/zinc/70/89/76/1079708976.db2.gz URSDVRGLQPNDBX-INIZCTEOSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)Oc2cccc(C)c2)CCC1 ZINC001484661484 1079715572 /nfs/dbraw/zinc/71/55/72/1079715572.db2.gz SYMCXFKTEOYUOO-HNNXBMFYSA-N 0 3 300.402 2.024 20 30 DEEDHN CC#CCNC1(CNC(=O)CCc2c(C)noc2Cl)CCC1 ZINC001484665027 1079717998 /nfs/dbraw/zinc/71/79/98/1079717998.db2.gz ZHHCUYRMYVRALA-UHFFFAOYSA-N 0 3 323.824 2.221 20 30 DEEDHN Cc1ncc(CN2CCC[C@@H](NC(=O)[C@H](C)C#N)CC2)s1 ZINC001484709061 1079745014 /nfs/dbraw/zinc/74/50/14/1079745014.db2.gz AYCAROLGPCXNQS-DGCLKSJQSA-N 0 3 306.435 2.082 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN([C@H](CCCC)C(N)=O)CC1 ZINC001484720376 1079757198 /nfs/dbraw/zinc/75/71/98/1079757198.db2.gz NVJWHDZUOZZPRX-HUUCEWRRSA-N 0 3 323.481 2.213 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@H]1CCc2cncn2C1)c1ccccc1 ZINC001481365736 1079759694 /nfs/dbraw/zinc/75/96/94/1079759694.db2.gz RWSWBFPIZFPITA-WMZOPIPTSA-N 0 3 324.428 2.079 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnn(CC)c1C)c1ccccc1 ZINC001481372784 1079763659 /nfs/dbraw/zinc/76/36/59/1079763659.db2.gz LBCWMZKUWBVMNZ-GOSISDBHSA-N 0 3 324.428 2.295 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)OC ZINC001481379673 1079768416 /nfs/dbraw/zinc/76/84/16/1079768416.db2.gz HMBUUUFAOPRDGH-BHYGNILZSA-N 0 3 306.450 2.465 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnn(C(C)C)c1C ZINC001484765198 1079775370 /nfs/dbraw/zinc/77/53/70/1079775370.db2.gz YECUGNRRTFGDTN-UHFFFAOYSA-N 0 3 304.438 2.190 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1c(C)ncn1C ZINC001496399103 1079777382 /nfs/dbraw/zinc/77/73/82/1079777382.db2.gz KHGARRUXEBZEIU-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1scnc1C(F)F ZINC001484750503 1079779023 /nfs/dbraw/zinc/77/90/23/1079779023.db2.gz HYSXZJXJZPRSHS-UHFFFAOYSA-N 0 3 315.389 2.498 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc3nccn3c2)C1 ZINC001481409176 1079798181 /nfs/dbraw/zinc/79/81/81/1079798181.db2.gz JHXKMEOPYHNKBO-QGZVFWFLSA-N 0 3 324.428 2.284 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@H](C)[C@H](C)CC)CC2)C1 ZINC001484945637 1079875914 /nfs/dbraw/zinc/87/59/14/1079875914.db2.gz DKOWRWUDFMPECQ-IAGOWNOFSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CN(C)CC2(C)C)cc1 ZINC001652492232 1079878530 /nfs/dbraw/zinc/87/85/30/1079878530.db2.gz WAQBGGQFQYYNLK-MRXNPFEDSA-N 0 3 302.418 2.250 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001484968769 1079885807 /nfs/dbraw/zinc/88/58/07/1079885807.db2.gz SBZCBOUUPSFZEM-TZMCWYRMSA-N 0 3 323.462 2.123 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2ccc(F)cc2)C[C@@H]1C ZINC001484984537 1079897702 /nfs/dbraw/zinc/89/77/02/1079897702.db2.gz ZUEKQFVACFBEAV-YOEHRIQHSA-N 0 3 302.393 2.361 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1CCCC1)CC2 ZINC001268041947 1079912265 /nfs/dbraw/zinc/91/22/65/1079912265.db2.gz HZOCRJZKIYRXCB-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCn1cccn1 ZINC001485045129 1079928089 /nfs/dbraw/zinc/92/80/89/1079928089.db2.gz MSNFWRQBNVDWPF-IEBWSBKVSA-N 0 3 324.428 2.221 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1ccn(C(C)C)n1 ZINC001485064385 1079942160 /nfs/dbraw/zinc/94/21/60/1079942160.db2.gz FCQNXOSMSVLANZ-INIZCTEOSA-N 0 3 304.438 2.115 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)c2ccoc2)C1 ZINC001485085661 1079964952 /nfs/dbraw/zinc/96/49/52/1079964952.db2.gz YUKWIRXDGBGPBB-UHFFFAOYSA-N 0 3 313.195 2.286 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001656105837 1080044139 /nfs/dbraw/zinc/04/41/39/1080044139.db2.gz MCBXRJXNIRQVTR-OCCSQVGLSA-N 0 3 322.428 2.369 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001656105838 1080044648 /nfs/dbraw/zinc/04/46/48/1080044648.db2.gz MCBXRJXNIRQVTR-TZMCWYRMSA-N 0 3 322.428 2.369 20 30 DEEDHN Cc1ocnc1C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001656185304 1080061388 /nfs/dbraw/zinc/06/13/88/1080061388.db2.gz SETYPMREYTZYCL-QAQDUYKDSA-N 0 3 323.396 2.133 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)c1cccs1 ZINC001268104269 1080074926 /nfs/dbraw/zinc/07/49/26/1080074926.db2.gz QDISQZMIXHUXOW-CQSZACIVSA-N 0 3 308.447 2.132 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cncnc1CC ZINC001485265288 1080096811 /nfs/dbraw/zinc/09/68/11/1080096811.db2.gz UABBCXRFFGFMCZ-UHFFFAOYSA-N 0 3 324.856 2.479 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2 ZINC001485284814 1080110819 /nfs/dbraw/zinc/11/08/19/1080110819.db2.gz SNUPEYLQYUARNV-CQSZACIVSA-N 0 3 318.417 2.361 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001485299472 1080127801 /nfs/dbraw/zinc/12/78/01/1080127801.db2.gz KFGGATFZVDRIIF-AWEZNQCLSA-N 0 3 322.836 2.316 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)c1cccnc1 ZINC001657170608 1080163509 /nfs/dbraw/zinc/16/35/09/1080163509.db2.gz QKVOBEUPEKESJA-UHFFFAOYSA-N 0 3 319.408 2.231 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN[C@@H](CO)c2ccccc2)cc1 ZINC001657899553 1080187631 /nfs/dbraw/zinc/18/76/31/1080187631.db2.gz MBTRXRBTJLYMOD-SFHVURJKSA-N 0 3 308.381 2.320 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001485393887 1080190926 /nfs/dbraw/zinc/19/09/26/1080190926.db2.gz DYTBBUYANLDXLZ-KDOFPFPSSA-N 0 3 302.418 2.097 20 30 DEEDHN CC#CCCCC(=O)NCC1CN(C[C@H](O)C2CCCCC2)C1 ZINC001481640278 1080194879 /nfs/dbraw/zinc/19/48/79/1080194879.db2.gz FTNJNCRFTDRBTK-SFHVURJKSA-N 0 3 320.477 2.169 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H](NCc2ccccn2)C(C)C)c1 ZINC001268216065 1080202517 /nfs/dbraw/zinc/20/25/17/1080202517.db2.gz GTPHEXAOXBENDY-SFHVURJKSA-N 0 3 322.412 2.002 20 30 DEEDHN Cc1conc1CN[C@@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C ZINC001485430243 1080211717 /nfs/dbraw/zinc/21/17/17/1080211717.db2.gz ZXRXAWOWDPLTHW-JSGCOSHPSA-N 0 3 306.410 2.105 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001268242708 1080223777 /nfs/dbraw/zinc/22/37/77/1080223777.db2.gz BHNCWGMXYZYBEQ-MSOLQXFVSA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCOCCN1CCCCC[C@@H]1CNC(=O)C(C)(C)F ZINC001485473024 1080237303 /nfs/dbraw/zinc/23/73/03/1080237303.db2.gz OGCSRBPYNMIGOJ-CQSZACIVSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1cc(C)n(C)n1 ZINC001268276106 1080254891 /nfs/dbraw/zinc/25/48/91/1080254891.db2.gz IMVBPVOJBJOEAF-DOTOQJQBSA-N 0 3 318.465 2.459 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001485552628 1080292943 /nfs/dbraw/zinc/29/29/43/1080292943.db2.gz HXXCFPZMICHQIP-CRAIPNDOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001481678682 1080293747 /nfs/dbraw/zinc/29/37/47/1080293747.db2.gz OFQJZNAGFVMYMV-GJZGRUSLSA-N 0 3 302.422 2.076 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC001485577822 1080310246 /nfs/dbraw/zinc/31/02/46/1080310246.db2.gz PEIGIWCTNTUSLW-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1CCOc2ccccc21 ZINC001660337512 1080311448 /nfs/dbraw/zinc/31/14/48/1080311448.db2.gz FAKAYTJUXFWNEA-MRXNPFEDSA-N 0 3 300.402 2.014 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CC(C)C)OC)C[C@]2(C)C1 ZINC001485668891 1080356095 /nfs/dbraw/zinc/35/60/95/1080356095.db2.gz JBKLLVKKHDMOLB-YTQUADARSA-N 0 3 320.477 2.241 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H](F)CC)C1 ZINC001485693762 1080378028 /nfs/dbraw/zinc/37/80/28/1080378028.db2.gz MXMHHJMXOJRMNY-GMTAPVOTSA-N 0 3 307.207 2.128 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCOc2cccc(F)c2)C1 ZINC001481731008 1080398964 /nfs/dbraw/zinc/39/89/64/1080398964.db2.gz XXTLRNVQBGZKRF-HNNXBMFYSA-N 0 3 306.381 2.313 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1ccnc(N(C)C)c1 ZINC001485740606 1080402352 /nfs/dbraw/zinc/40/23/52/1080402352.db2.gz QSDMSDCMGGXUON-CYBMUJFWSA-N 0 3 324.856 2.388 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)c2cc(C)c(C)o2)CC1 ZINC001660877029 1080410975 /nfs/dbraw/zinc/41/09/75/1080410975.db2.gz YWPHJPYGJSYRAU-UHFFFAOYSA-N 0 3 319.449 2.210 20 30 DEEDHN Cc1oncc1CN(C)C1CCN(C(=O)C#CC(C)C)CC1 ZINC001485757499 1080411228 /nfs/dbraw/zinc/41/12/28/1080411228.db2.gz SKEAGNSKKDFVGM-UHFFFAOYSA-N 0 3 303.406 2.065 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)c2sccc2C)CC1 ZINC001660868687 1080411352 /nfs/dbraw/zinc/41/13/52/1080411352.db2.gz GVBOERDITZOAMB-UHFFFAOYSA-N 0 3 321.490 2.370 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C(C)(C)CC(C)C)CC1 ZINC001660946674 1080418390 /nfs/dbraw/zinc/41/83/90/1080418390.db2.gz LKNASHYSJYTZNK-UHFFFAOYSA-N 0 3 309.498 2.369 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)Cc2cnc(C)o2)CC1 ZINC001661090865 1080440388 /nfs/dbraw/zinc/44/03/88/1080440388.db2.gz XHWIMEJSECDSSF-UHFFFAOYSA-N 0 3 305.422 2.415 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ncn1C ZINC001661254405 1080464385 /nfs/dbraw/zinc/46/43/85/1080464385.db2.gz GBLRBIRBIXAEDR-BMFZPTHFSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001661463084 1080483660 /nfs/dbraw/zinc/48/36/60/1080483660.db2.gz NEVACWMOHZAGAE-KKUMJFAQSA-N 0 3 302.422 2.124 20 30 DEEDHN O=C(CCCF)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001661459760 1080484111 /nfs/dbraw/zinc/48/41/11/1080484111.db2.gz JWANCAHZYMLGRV-WKILWMFISA-N 0 3 306.356 2.164 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2ccccc2C#C)C1 ZINC001481779041 1080494426 /nfs/dbraw/zinc/49/44/26/1080494426.db2.gz QEVYFIKNXHEMHF-IBGZPJMESA-N 0 3 308.425 2.157 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001481815185 1080522333 /nfs/dbraw/zinc/52/23/33/1080522333.db2.gz QEWVTCLOZDSKHQ-OLZOCXBDSA-N 0 3 315.421 2.411 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001661856363 1080533244 /nfs/dbraw/zinc/53/32/44/1080533244.db2.gz MZQIWTZLLOKBMT-MWDXBVQZSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)N(C)C ZINC001661950410 1080549015 /nfs/dbraw/zinc/54/90/15/1080549015.db2.gz PRKNUBRXQPOFSX-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@@H]1CNCc1ccccn1 ZINC001661972329 1080551300 /nfs/dbraw/zinc/55/13/00/1080551300.db2.gz SPTSGGFEKMGFCK-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)o2)C1 ZINC001661984941 1080556301 /nfs/dbraw/zinc/55/63/01/1080556301.db2.gz ZJNOJSXJEDPPRC-JKSUJKDBSA-N 0 3 318.417 2.068 20 30 DEEDHN CC/C=C(/C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001662024959 1080563963 /nfs/dbraw/zinc/56/39/63/1080563963.db2.gz HANNWHJMKXAPAJ-NYLVPYLXSA-N 0 3 309.413 2.461 20 30 DEEDHN C#CCCCC(=O)N[C@](C)(CNCc1oc(C)nc1C)C1CC1 ZINC001481926196 1080616135 /nfs/dbraw/zinc/61/61/35/1080616135.db2.gz HELOMJLCBBWIIH-GOSISDBHSA-N 0 3 317.433 2.469 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](CNCc2ccn(C(C)C)n2)C1 ZINC001662624904 1080622821 /nfs/dbraw/zinc/62/28/21/1080622821.db2.gz HGFGJACRKMSVMQ-MRXNPFEDSA-N 0 3 316.449 2.062 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1n[nH]c2c1CCC2)C1CC1 ZINC001481934516 1080623314 /nfs/dbraw/zinc/62/33/14/1080623314.db2.gz DVYHTUKAEIDDPH-INIZCTEOSA-N 0 3 322.840 2.139 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CCNCc2cc(C)ncn2)C1 ZINC001481969276 1080657932 /nfs/dbraw/zinc/65/79/32/1080657932.db2.gz FMLMRIVZMYQAEP-INIZCTEOSA-N 0 3 316.449 2.470 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cccc(C(F)(F)F)n1 ZINC001663305261 1080729269 /nfs/dbraw/zinc/72/92/69/1080729269.db2.gz XYOQIMQVYZGGSJ-UHFFFAOYSA-N 0 3 301.312 2.338 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2ccsn2)cc1 ZINC001268555692 1080752720 /nfs/dbraw/zinc/75/27/20/1080752720.db2.gz RLDMJWUTYNZRPZ-UPHRSURJSA-N 0 3 312.398 2.091 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001663644607 1080796455 /nfs/dbraw/zinc/79/64/55/1080796455.db2.gz JTPTZZVOTRCTMP-OAHLLOKOSA-N 0 3 310.397 2.355 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1noc2c1CCCCC2 ZINC001663684137 1080802104 /nfs/dbraw/zinc/80/21/04/1080802104.db2.gz QSTDNBBVXYWWPU-UHFFFAOYSA-N 0 3 303.406 2.019 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c(Cl)n[nH]c1CC)C1CC1 ZINC001663726582 1080807759 /nfs/dbraw/zinc/80/77/59/1080807759.db2.gz DRMGUNXRKLQBND-UHFFFAOYSA-N 0 3 310.829 2.396 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(F)cc2cccnc21 ZINC001268599882 1080881868 /nfs/dbraw/zinc/88/18/68/1080881868.db2.gz SDLSJQKEWMFTCK-PLNGDYQASA-N 0 3 311.360 2.273 20 30 DEEDHN CC[C@H](F)CNC/C=C\CNC(=O)CC#Cc1ccccc1 ZINC001268627138 1080903579 /nfs/dbraw/zinc/90/35/79/1080903579.db2.gz GEFXAWIKYHRMSQ-TUYSUELWSA-N 0 3 302.393 2.438 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[C@H]1CCCO1 ZINC001268638096 1080909568 /nfs/dbraw/zinc/90/95/68/1080909568.db2.gz FFSROQZBYFJGJK-SJLPKXTDSA-N 0 3 314.429 2.092 20 30 DEEDHN Cc1nn(C)cc1CN(CCCNC(=O)C#CC(C)C)C(C)C ZINC001664505714 1080918984 /nfs/dbraw/zinc/91/89/84/1080918984.db2.gz LRKJFVDBVBTBLI-UHFFFAOYSA-N 0 3 318.465 2.105 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1[nH]c(=O)[nH]c1C)c1ccccc1 ZINC001664582925 1080927867 /nfs/dbraw/zinc/92/78/67/1080927867.db2.gz CALOFPUSYQTTJG-CQSZACIVSA-N 0 3 314.389 2.061 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC001664830537 1080967687 /nfs/dbraw/zinc/96/76/87/1080967687.db2.gz VMBZCTZATBWVPY-JKSUJKDBSA-N 0 3 318.465 2.303 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(C)CC(=O)NC(C)(C)C)CC1 ZINC001664869077 1080973007 /nfs/dbraw/zinc/97/30/07/1080973007.db2.gz RMLPYNJYUMUHGR-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC/C=C\CCN1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001665050219 1080986957 /nfs/dbraw/zinc/98/69/57/1080986957.db2.gz SANOZDHESWRVBA-JZIMQPMSSA-N 0 3 300.406 2.437 20 30 DEEDHN CN(CCCNCc1ccncc1Cl)C(=O)C#CC1CC1 ZINC001268791482 1080994309 /nfs/dbraw/zinc/99/43/09/1080994309.db2.gz MOVOSHGCRDJNBK-UHFFFAOYSA-N 0 3 305.809 2.087 20 30 DEEDHN C=CCCCCCN1CC(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001665156941 1080994401 /nfs/dbraw/zinc/99/44/01/1080994401.db2.gz GSAFAFFWAVBJTM-UHFFFAOYSA-N 0 3 316.449 2.449 20 30 DEEDHN C=CCOCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665616761 1081047653 /nfs/dbraw/zinc/04/76/53/1081047653.db2.gz IHOXEZQCPFSMMW-KRWDZBQOSA-N 0 3 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C=C1CCC(C(=O)N(C)C[C@H](C)N[C@H](CCCC)C(N)=O)CC1 ZINC001485918790 1084984430 /nfs/dbraw/zinc/98/44/30/1084984430.db2.gz IARHXLDUQREMSW-GOEBONIOSA-N 0 3 323.481 2.213 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2ccnc(OC)c2)C1 ZINC001485921696 1084988098 /nfs/dbraw/zinc/98/80/98/1084988098.db2.gz VCOVEIRSNQLBDJ-CQSZACIVSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cn(CC)nc1C(C)C ZINC001485928761 1085001349 /nfs/dbraw/zinc/00/13/49/1085001349.db2.gz LIGNINQPFOPELD-AWEZNQCLSA-N 0 3 304.438 2.100 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)NCc1cc(C)cc(C)c1 ZINC001486000278 1085024257 /nfs/dbraw/zinc/02/42/57/1085024257.db2.gz OQXKOVWTMVQAEK-QGZVFWFLSA-N 0 3 304.434 2.226 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cccnc2)[C@@H]1C ZINC001486077076 1085062351 /nfs/dbraw/zinc/06/23/51/1085062351.db2.gz ZFJIBYOKEIBRAX-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2cc(C)ccc2F)C[C@H]1C ZINC001486104608 1085066725 /nfs/dbraw/zinc/06/67/25/1085066725.db2.gz MGKKSJRHYAXGJA-GDBMZVCRSA-N 0 3 320.408 2.416 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001486115845 1085073526 /nfs/dbraw/zinc/07/35/26/1085073526.db2.gz UBNYRAKNNXGPRL-DZGCQCFKSA-N 0 3 316.449 2.162 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2c(C)oc(C)c2C)C1 ZINC001486119183 1085075581 /nfs/dbraw/zinc/07/55/81/1085075581.db2.gz JDPWNZLGZPGZDN-MLGOLLRUSA-N 0 3 318.417 2.047 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)COC3CCCC3)CCC[C@@H]12 ZINC001486137772 1085084051 /nfs/dbraw/zinc/08/40/51/1085084051.db2.gz CPYWGBXYKDCSQV-SJLPKXTDSA-N 0 3 304.434 2.082 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](OCC)C(C)C)CCC[C@H]12 ZINC001486147289 1085091081 /nfs/dbraw/zinc/09/10/81/1085091081.db2.gz MHYRKXLVZQZQKH-XYJFISCASA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncnc1 ZINC000960258243 1085167633 /nfs/dbraw/zinc/16/76/33/1085167633.db2.gz XSHIBCDSTDOXLB-IAGOWNOFSA-N 0 3 308.385 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](N[C@H](C)C(=O)NCCC)C(C)(C)C1 ZINC001486233456 1085171794 /nfs/dbraw/zinc/17/17/94/1085171794.db2.gz LNDVHNRIBTYDRZ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnn(C)c1CC ZINC000960282500 1085181699 /nfs/dbraw/zinc/18/16/99/1085181699.db2.gz VLKQMLKXHSRCAM-SJLPKXTDSA-N 0 3 324.428 2.154 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]cc1F ZINC000960304697 1085188544 /nfs/dbraw/zinc/18/85/44/1085188544.db2.gz YEFUNDDLZZZEDA-HUUCEWRRSA-N 0 3 314.364 2.110 20 30 DEEDHN CC(C)N(CCN(C)C[C@H]1CC[C@H](C)O1)C(=O)C#CC1CC1 ZINC001486368557 1085238341 /nfs/dbraw/zinc/23/83/41/1085238341.db2.gz SBOJQELJUJTJKL-DOTOQJQBSA-N 0 3 306.450 2.136 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)CCCC[C@@H](C)CC)C1=O ZINC001128169041 1085278156 /nfs/dbraw/zinc/27/81/56/1085278156.db2.gz ZCROQGCSBYKYJB-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cncn1C)C(C)(C)C ZINC001486400155 1085286285 /nfs/dbraw/zinc/28/62/85/1085286285.db2.gz SCQQRLWWDHYAEY-HNNXBMFYSA-N 0 3 306.454 2.397 20 30 DEEDHN COc1ccc(CN(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)cc1 ZINC000960504307 1085319322 /nfs/dbraw/zinc/31/93/22/1085319322.db2.gz UDXJKQXHQLCDPN-ZBFHGGJFSA-N 0 3 315.417 2.278 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)Cc2ccsc2)CC1 ZINC001486501789 1085387819 /nfs/dbraw/zinc/38/78/19/1085387819.db2.gz LIGXMPHYNYKNBK-UHFFFAOYSA-N 0 3 320.458 2.242 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001486510006 1085393645 /nfs/dbraw/zinc/39/36/45/1085393645.db2.gz ZKZRVFGVIWDDBG-QGZVFWFLSA-N 0 3 316.449 2.405 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2=CCN(CCOCC=C)CC2)cc1 ZINC001486512450 1085396913 /nfs/dbraw/zinc/39/69/13/1085396913.db2.gz FCTOUHKAAVUIHD-UHFFFAOYSA-N 0 3 324.424 2.232 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001128246110 1085636950 /nfs/dbraw/zinc/63/69/50/1085636950.db2.gz QNHCDFYNOLFZGW-UHFFFAOYSA-N 0 3 306.454 2.446 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNC[C@H](O)c1ccccc1F ZINC001128265000 1085649648 /nfs/dbraw/zinc/64/96/48/1085649648.db2.gz YMVLQJRCTCOLJT-HNNXBMFYSA-N 0 3 308.397 2.167 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)ccc(F)c1OC ZINC000961454479 1085739240 /nfs/dbraw/zinc/73/92/40/1085739240.db2.gz CBMIUOFJUQJCLM-HBYGRHMLSA-N 0 3 322.355 2.210 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)C1=O ZINC001272976297 1085757052 /nfs/dbraw/zinc/75/70/52/1085757052.db2.gz YBXRPCFPQCLFNK-UHFFFAOYSA-N 0 3 318.367 2.413 20 30 DEEDHN CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)CCC1 ZINC000961496275 1085758641 /nfs/dbraw/zinc/75/86/41/1085758641.db2.gz XXCWMZMRSJVLPS-FVQHAEBGSA-N 0 3 309.413 2.295 20 30 DEEDHN C=C(C)CCC(=O)NCCNC[C@H](O)c1cc(F)ccc1F ZINC001128417863 1085774223 /nfs/dbraw/zinc/77/42/23/1085774223.db2.gz HRPPBHHJRNNJDY-HNNXBMFYSA-N 0 3 312.360 2.060 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)ccc(F)c1Cl ZINC000961850062 1085877322 /nfs/dbraw/zinc/87/73/22/1085877322.db2.gz DZVIMQCFAHIAPH-QRJZZWFUSA-N 0 3 312.747 2.464 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2CCc1ccccc1F ZINC001273037201 1086058581 /nfs/dbraw/zinc/05/85/81/1086058581.db2.gz VPBZSZLFACKXBK-LJQANCHMSA-N 0 3 314.404 2.458 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)ccc(OC)c1F ZINC000962336784 1086069538 /nfs/dbraw/zinc/06/95/38/1086069538.db2.gz ITCSVUWNOPXBIS-CDMJZVDBSA-N 0 3 322.355 2.210 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(COC(C)C)cc1 ZINC000962514834 1086144747 /nfs/dbraw/zinc/14/47/47/1086144747.db2.gz BEWVLWYSHODTOD-PIIMJCKOSA-N 0 3 314.429 2.458 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCC(C)C)[C@@H](n2ccnn2)C1 ZINC001128681834 1086323889 /nfs/dbraw/zinc/32/38/89/1086323889.db2.gz OHRNKYVZEOKEAF-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc(C3CC3)n2)C1 ZINC001033703359 1086351237 /nfs/dbraw/zinc/35/12/37/1086351237.db2.gz YJURSNFCDJBOPE-ZDUSSCGKSA-N 0 3 303.431 2.190 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001099672738 1086386328 /nfs/dbraw/zinc/38/63/28/1086386328.db2.gz SCPQYOONMKNYLN-IRXDYDNUSA-N 0 3 324.465 2.044 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC001128935735 1086455174 /nfs/dbraw/zinc/45/51/74/1086455174.db2.gz LRQBFJSMTONFTD-CQSZACIVSA-N 0 3 307.344 2.199 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2csc(C)c2)CCOCC1 ZINC001129116918 1086598765 /nfs/dbraw/zinc/59/87/65/1086598765.db2.gz NCKZTXYDOFEMNF-UHFFFAOYSA-N 0 3 320.458 2.082 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001062263726 1086825671 /nfs/dbraw/zinc/82/56/71/1086825671.db2.gz SDMDYDNIUMXXAF-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cn4c(cccc4C)n3)C2)C1=O ZINC001273177204 1087189044 /nfs/dbraw/zinc/18/90/44/1087189044.db2.gz AMTPNNGTIDOTGV-IBGZPJMESA-N 0 3 324.428 2.253 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)C2(C)CCC2)cc1C#N ZINC001493658342 1087215785 /nfs/dbraw/zinc/21/57/85/1087215785.db2.gz HTVVIVXGGRIVPJ-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1c[nH]c2ncccc12 ZINC001273188218 1087239823 /nfs/dbraw/zinc/23/98/23/1087239823.db2.gz LKSBXHPPXMMDHD-IBGZPJMESA-N 0 3 322.412 2.153 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001090289755 1087427734 /nfs/dbraw/zinc/42/77/34/1087427734.db2.gz LRXBNVVKOMNJBQ-GJZGRUSLSA-N 0 3 308.447 2.106 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001063740567 1087475941 /nfs/dbraw/zinc/47/59/41/1087475941.db2.gz MWCYNALAQWXQNT-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)CN(C)CCC)CCC1 ZINC001063856606 1087495240 /nfs/dbraw/zinc/49/52/40/1087495240.db2.gz PYGQKCSBEWKAKC-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3=CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079235709 1087767525 /nfs/dbraw/zinc/76/75/25/1087767525.db2.gz MOYFYOSZYVWWEC-DLBZAZTESA-N 0 3 316.445 2.222 20 30 DEEDHN C=C(Cl)CN1CC(N(CC)C(=O)[C@@H]2CCCCN2CC)C1 ZINC000957424507 1088280953 /nfs/dbraw/zinc/28/09/53/1088280953.db2.gz YSVPJCXHVNWVQG-HNNXBMFYSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001114724261 1088293108 /nfs/dbraw/zinc/29/31/08/1088293108.db2.gz JTCQOENTKKIFCO-ARLBYUKCSA-N 0 3 319.474 2.334 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC001079853184 1088451483 /nfs/dbraw/zinc/45/14/83/1088451483.db2.gz ISTHJWMLHLNASP-CXAGYDPISA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001079958806 1088517917 /nfs/dbraw/zinc/51/79/17/1088517917.db2.gz IHKAJSIMIDMULY-RDTXWAMCSA-N 0 3 309.413 2.400 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001080082329 1088607957 /nfs/dbraw/zinc/60/79/57/1088607957.db2.gz DFNUOKUSRJSUEZ-DJIMGWMZSA-N 0 3 314.429 2.250 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC000958121377 1088804134 /nfs/dbraw/zinc/80/41/34/1088804134.db2.gz FMJSRJNQXDZBOP-MAUKXSAKSA-N 0 3 316.445 2.409 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC000958304812 1088913269 /nfs/dbraw/zinc/91/32/69/1088913269.db2.gz URUCLCRRGDLSTL-CJNGLKHVSA-N 0 3 322.836 2.165 20 30 DEEDHN C=CCOCCN1CCCCC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001276319255 1088973503 /nfs/dbraw/zinc/97/35/03/1088973503.db2.gz JJDPROWYHYTWGQ-CABCVRRESA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001080511249 1089009961 /nfs/dbraw/zinc/00/99/61/1089009961.db2.gz RASRCFKKPJFLHH-MEBBXXQBSA-N 0 3 312.335 2.269 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCOc1ccccc1 ZINC001276327415 1089012358 /nfs/dbraw/zinc/01/23/58/1089012358.db2.gz WARIWAFBICNVLL-KRWDZBQOSA-N 0 3 314.429 2.450 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccc(C)c2Cl)C1 ZINC000958493385 1089013414 /nfs/dbraw/zinc/01/34/14/1089013414.db2.gz GHXMRJYGZPGLBI-HIFRSBDPSA-N 0 3 322.836 2.247 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H](O)C1 ZINC000958515992 1089039548 /nfs/dbraw/zinc/03/95/48/1089039548.db2.gz NJVKJEWUEKRAPK-BRSBDYLESA-N 0 3 322.493 2.434 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2ccccc2C)C1 ZINC001276335171 1089039730 /nfs/dbraw/zinc/03/97/30/1089039730.db2.gz VHEQPQOMNJNZDR-HNNXBMFYSA-N 0 3 302.418 2.248 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001080528470 1089042935 /nfs/dbraw/zinc/04/29/35/1089042935.db2.gz QXLJPQOMJSVFQV-VQIMIIECSA-N 0 3 323.440 2.136 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001080574354 1089070856 /nfs/dbraw/zinc/07/08/56/1089070856.db2.gz YMRFNIHERKUTIL-FVQBIDKESA-N 0 3 314.429 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000958606853 1089090292 /nfs/dbraw/zinc/09/02/92/1089090292.db2.gz WAZRJPNVPDMKNA-LUKYLMHMSA-N 0 3 308.466 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001080620828 1089095829 /nfs/dbraw/zinc/09/58/29/1089095829.db2.gz BWTHNZAFMRXWJZ-TYNCELHUSA-N 0 3 305.422 2.408 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000958640651 1089111954 /nfs/dbraw/zinc/11/19/54/1089111954.db2.gz WAVXGWJDSQAQHQ-APWZRJJASA-N 0 3 324.424 2.438 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC000958649384 1089121492 /nfs/dbraw/zinc/12/14/92/1089121492.db2.gz MNLRQFNYNMASSN-GJZGRUSLSA-N 0 3 314.385 2.031 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2OCC)C1 ZINC001080695762 1089145017 /nfs/dbraw/zinc/14/50/17/1089145017.db2.gz DYARJTMWIBNWPZ-CZUORRHYSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC000958732719 1089156014 /nfs/dbraw/zinc/15/60/14/1089156014.db2.gz PVEWSGKZYKEFHT-DZGCQCFKSA-N 0 3 306.406 2.002 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001080800500 1089184581 /nfs/dbraw/zinc/18/45/81/1089184581.db2.gz UHUIGGLWXVFUBZ-CXAGYDPISA-N 0 3 318.465 2.075 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1c1ccccc1 ZINC001081203631 1089371069 /nfs/dbraw/zinc/37/10/69/1089371069.db2.gz VQUHEGTUUYBGTA-JKSUJKDBSA-N 0 3 324.380 2.119 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1c1ccccc1 ZINC001081203690 1089371110 /nfs/dbraw/zinc/37/11/10/1089371110.db2.gz YILFYBNVTGVNDP-DLBZAZTESA-N 0 3 323.396 2.122 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2coc(CCC)n2)[C@H](OC)C1 ZINC001082325080 1089846517 /nfs/dbraw/zinc/84/65/17/1089846517.db2.gz OWMZGKKARATKDL-UKRRQHHQSA-N 0 3 321.421 2.022 20 30 DEEDHN Cc1nsc(C)c1CNC[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC000959925199 1089851885 /nfs/dbraw/zinc/85/18/85/1089851885.db2.gz LOCOIZWXWORKCK-RISCZKNCSA-N 0 3 320.462 2.390 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(F)cccc2F)[C@H](OC)C1 ZINC001082342842 1089853183 /nfs/dbraw/zinc/85/31/83/1089853183.db2.gz IOMJJHMQXYVJQD-HUUCEWRRSA-N 0 3 324.371 2.360 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H](OC)C1 ZINC001082335600 1089859901 /nfs/dbraw/zinc/85/99/01/1089859901.db2.gz VJGBPHAPEYHHKJ-HUUCEWRRSA-N 0 3 323.824 2.130 20 30 DEEDHN O=C(C#CC1CC1)N1CCCC[C@H]1CNCc1cncs1 ZINC000960008938 1089902502 /nfs/dbraw/zinc/90/25/02/1089902502.db2.gz YCCHPIVQWFMPMO-AWEZNQCLSA-N 0 3 303.431 2.027 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)c3cccc(F)c3)[C@H]2C1 ZINC001082985943 1090133370 /nfs/dbraw/zinc/13/33/70/1090133370.db2.gz BINJQZOXCFNKAP-DLBZAZTESA-N 0 3 318.392 2.317 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CC=CCC3)[C@H]2C1 ZINC001082996971 1090138698 /nfs/dbraw/zinc/13/86/98/1090138698.db2.gz FXUFMEVUPBJSLV-YESZJQIVSA-N 0 3 304.434 2.221 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H]3CCC3(C)C)[C@H]2C1 ZINC001083169806 1090173044 /nfs/dbraw/zinc/17/30/44/1090173044.db2.gz GTEZEBAEWDGTMW-HRCADAONSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001084076489 1090194072 /nfs/dbraw/zinc/19/40/72/1090194072.db2.gz OGKSXPVEUAPCPU-XYPHTWIQSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(C)c2ccccc2C)[C@@H](O)C1 ZINC001084122388 1090197829 /nfs/dbraw/zinc/19/78/29/1090197829.db2.gz RILNZYVQBMEOEE-SJORKVTESA-N 0 3 316.445 2.010 20 30 DEEDHN CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084236289 1090247427 /nfs/dbraw/zinc/24/74/27/1090247427.db2.gz CUYKWGUOBIYFPU-BMGDILEWSA-N 0 3 311.429 2.441 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc4cccnc4n3)[C@@H]2C1 ZINC001084362910 1090276247 /nfs/dbraw/zinc/27/62/47/1090276247.db2.gz LZVGQGCJGMZMSS-NVXWUHKLSA-N 0 3 322.412 2.352 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccccc3OCC=C)[C@@H]2C1 ZINC001084460597 1090297682 /nfs/dbraw/zinc/29/76/82/1090297682.db2.gz BWHWSRUIKDNFCW-SJLPKXTDSA-N 0 3 324.424 2.421 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](C)c3cnn(C)c3)[C@@H]2C1 ZINC001084542779 1090322233 /nfs/dbraw/zinc/32/22/33/1090322233.db2.gz DMTIGNQKLWUWOZ-ZMSDIMECSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H]3CCCC3(F)F)[C@@H]2C1 ZINC001084608831 1090348133 /nfs/dbraw/zinc/34/81/33/1090348133.db2.gz MZSDGEQAHUTHBW-RBSFLKMASA-N 0 3 310.388 2.368 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cn3ccnc3C(C)C)[C@@H]2C1 ZINC001084694443 1090397661 /nfs/dbraw/zinc/39/76/61/1090397661.db2.gz DJQWJCVZWARNGF-HZPDHXFCSA-N 0 3 316.449 2.115 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)[C@@H]2C1 ZINC001084705480 1090405616 /nfs/dbraw/zinc/40/56/16/1090405616.db2.gz ZLMJAEIVUXEJPY-GDBMZVCRSA-N 0 3 312.417 2.076 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001084906404 1090508344 /nfs/dbraw/zinc/50/83/44/1090508344.db2.gz PPPLHXUBVCLADI-OLMNPRSZSA-N 0 3 322.412 2.141 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3cccnn3)C2)C1=O ZINC001273269227 1090674387 /nfs/dbraw/zinc/67/43/87/1090674387.db2.gz VPGHWLMRTWHKOX-LJQANCHMSA-N 0 3 320.396 2.153 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CSCCC)C1 ZINC001323636397 1091058835 /nfs/dbraw/zinc/05/88/35/1091058835.db2.gz DGUAUFHJQINLJS-HOTGVXAUSA-N 0 3 308.491 2.466 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3csc(Cl)c3)C2)C1=O ZINC001273384190 1091121259 /nfs/dbraw/zinc/12/12/59/1091121259.db2.gz NFCSDBDXCJVPDY-HNNXBMFYSA-N 0 3 308.834 2.459 20 30 DEEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccnc(N(C)C)c1 ZINC001274263808 1091157080 /nfs/dbraw/zinc/15/70/80/1091157080.db2.gz UMGPXSHOBDVAMV-FPLPWBNLSA-N 0 3 316.449 2.122 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccnn1C1CCCC1 ZINC001273403758 1091217621 /nfs/dbraw/zinc/21/76/21/1091217621.db2.gz CAYYZFOZUBWCBG-UHFFFAOYSA-N 0 3 302.422 2.073 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)on2)C(C)(C)C1 ZINC001274406022 1091225426 /nfs/dbraw/zinc/22/54/26/1091225426.db2.gz DNJXTJAOVBYPKF-HNNXBMFYSA-N 0 3 321.421 2.016 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@H](CNCCF)C2)CCCCC1 ZINC001280684075 1091264286 /nfs/dbraw/zinc/26/42/86/1091264286.db2.gz ULRDSZPWXYBZRF-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN(Cc3c[nH]c(C)n3)CC2)C1=O ZINC001274576437 1091304720 /nfs/dbraw/zinc/30/47/20/1091304720.db2.gz NNUPHRCIBOVFOY-SFHVURJKSA-N 0 3 316.449 2.499 20 30 DEEDHN Cc1cncc(CN2CCC[C@@H](NC(=O)C#CC3CC3)CC2)c1 ZINC001273418775 1091319426 /nfs/dbraw/zinc/31/94/26/1091319426.db2.gz QROYZCWMBMAHJF-GOSISDBHSA-N 0 3 311.429 2.274 20 30 DEEDHN CCOCCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001274702104 1091378528 /nfs/dbraw/zinc/37/85/28/1091378528.db2.gz OVJJUOVMFUFGBS-CQSZACIVSA-N 0 3 322.836 2.212 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274727249 1091389885 /nfs/dbraw/zinc/38/98/85/1091389885.db2.gz UJUBEHMBEPVNOD-HUUCEWRRSA-N 0 3 304.459 2.274 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001274727207 1091390120 /nfs/dbraw/zinc/39/01/20/1091390120.db2.gz SOWUTLROZXNGKR-OAHLLOKOSA-N 0 3 318.465 2.426 20 30 DEEDHN Cc1ncc(CNC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)s1 ZINC001411206278 1091416566 /nfs/dbraw/zinc/41/65/66/1091416566.db2.gz GWBANZKTLCJGCQ-GWCFXTLKSA-N 0 3 308.451 2.232 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001274923058 1091474880 /nfs/dbraw/zinc/47/48/80/1091474880.db2.gz BRNYSPGXLZTEBE-GFCCVEGCSA-N 0 3 322.371 2.094 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1c[nH]nc1-c1ccoc1 ZINC001275129270 1091573579 /nfs/dbraw/zinc/57/35/79/1091573579.db2.gz RDXFLYXRTMZPQV-AWEZNQCLSA-N 0 3 314.389 2.392 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1c(C)nn(CC)c1C ZINC001275161060 1091590767 /nfs/dbraw/zinc/59/07/67/1091590767.db2.gz XNNUKKURSPJLRY-MRXNPFEDSA-N 0 3 318.465 2.171 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccns1 ZINC001275414565 1091728978 /nfs/dbraw/zinc/72/89/78/1091728978.db2.gz MAIRBRVRBOQZKH-KBPBESRZSA-N 0 3 313.426 2.291 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001111229911 1091829155 /nfs/dbraw/zinc/82/91/55/1091829155.db2.gz CQRGDWCRDLXFLT-VQHPVUNQSA-N 0 3 318.461 2.491 20 30 DEEDHN C[C@@H](CN(C)CCOc1cccc(F)c1)NC(=O)C#CC1CC1 ZINC001275552828 1091851891 /nfs/dbraw/zinc/85/18/91/1091851891.db2.gz VFLLSSMXNKBSGW-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CCOc2ccccc2)CC1 ZINC001273465992 1091861048 /nfs/dbraw/zinc/86/10/48/1091861048.db2.gz MXXIPUUQPVEMAG-MRXNPFEDSA-N 0 3 300.402 2.059 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N([C@H](C)C(=O)OCC)C2 ZINC001273486806 1091877722 /nfs/dbraw/zinc/87/77/22/1091877722.db2.gz OHOYYPKCKBRKHP-CRAIPNDOSA-N 0 3 322.449 2.361 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001273530584 1091904480 /nfs/dbraw/zinc/90/44/80/1091904480.db2.gz RSHWUCAIXGYISJ-GOSISDBHSA-N 0 3 314.429 2.218 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)n1 ZINC001275606204 1091906184 /nfs/dbraw/zinc/90/61/84/1091906184.db2.gz ZYIJUMJOQQZBLG-ROUUACIJSA-N 0 3 307.401 2.130 20 30 DEEDHN C#CCCCN1CCC[C@]12CCN(CC(=O)C(C)(C)C)C2=O ZINC001273538464 1091910039 /nfs/dbraw/zinc/91/00/39/1091910039.db2.gz WSVAVACAOIXDOE-GOSISDBHSA-N 0 3 304.434 2.082 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)[C@@H]2CCCN(CC#CC)CC2)c1 ZINC000948761205 1091920557 /nfs/dbraw/zinc/92/05/57/1091920557.db2.gz AIGGNTJXZQGOAP-GOSISDBHSA-N 0 3 309.413 2.013 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn(C)c2CC)CC1 ZINC000948779882 1091932486 /nfs/dbraw/zinc/93/24/86/1091932486.db2.gz WVOSRSGDGFHAGE-OAHLLOKOSA-N 0 3 301.434 2.147 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000948804343 1091946542 /nfs/dbraw/zinc/94/65/42/1091946542.db2.gz KIKISFULOVFTQX-HNNXBMFYSA-N 0 3 314.433 2.237 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCN(CCOCC(F)F)CC1 ZINC001280734269 1092003132 /nfs/dbraw/zinc/00/31/32/1092003132.db2.gz VIRNVLZRMDMZGM-CQSZACIVSA-N 0 3 316.392 2.042 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)Cc1ccsc1)CCO2 ZINC000949014667 1092030374 /nfs/dbraw/zinc/03/03/74/1092030374.db2.gz FCIYIJYBNMOIPC-UHFFFAOYSA-N 0 3 320.458 2.170 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@]13C[C@@H]1CCCC3)CCO2 ZINC000949182285 1092064336 /nfs/dbraw/zinc/06/43/36/1092064336.db2.gz JFOWEHONKDSHQV-LPHOPBHVSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C1CCC1)CCO2 ZINC000949212559 1092071728 /nfs/dbraw/zinc/07/17/28/1092071728.db2.gz BLYDCKMROUXJAB-DLBZAZTESA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C(C)C)CCO2 ZINC000949221409 1092073223 /nfs/dbraw/zinc/07/32/23/1092073223.db2.gz ZKXDDVPVHCBCAO-JKSUJKDBSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC000949414542 1092139724 /nfs/dbraw/zinc/13/97/24/1092139724.db2.gz CAVBEJNRICPLDA-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cnn(CC2CCCC2)c1 ZINC001275963616 1092383936 /nfs/dbraw/zinc/38/39/36/1092383936.db2.gz QXCZFWKUXROUTJ-AWEZNQCLSA-N 0 3 304.438 2.309 20 30 DEEDHN CC(C)C(=O)NC/C=C\CNCc1ccc(OCC#N)cc1 ZINC001273861098 1092450462 /nfs/dbraw/zinc/45/04/62/1092450462.db2.gz LFXJGOZBZGJGHJ-ARJAWSKDSA-N 0 3 301.390 2.007 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)[C@H]1C ZINC001488268469 1092463033 /nfs/dbraw/zinc/46/30/33/1092463033.db2.gz PZCYDHWOGIUWRO-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)CCC)[C@H]1C ZINC001488268464 1092463850 /nfs/dbraw/zinc/46/38/50/1092463850.db2.gz PZCYDHWOGIUWRO-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)Cc1ncccc1F ZINC001488652383 1092661401 /nfs/dbraw/zinc/66/14/01/1092661401.db2.gz AAUJTNKDZXZFBP-CQSZACIVSA-N 0 3 305.397 2.262 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001488704953 1092723151 /nfs/dbraw/zinc/72/31/51/1092723151.db2.gz PUVNAMVTUGPMNT-WCZJQEMASA-N 0 3 314.404 2.318 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001488772054 1092742385 /nfs/dbraw/zinc/74/23/85/1092742385.db2.gz SNWPLPQPCWYKCR-DAYGRLMNSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(=O)C(C)(C)C)C1 ZINC001488901779 1092805891 /nfs/dbraw/zinc/80/58/91/1092805891.db2.gz FXRVKNONPQBLTE-NWDGAFQWSA-N 0 3 300.830 2.229 20 30 DEEDHN CC[C@H](F)C(=O)N1CC2(C[C@H]1C)CCN(CC#CCOC)CC2 ZINC001488974841 1092858399 /nfs/dbraw/zinc/85/83/99/1092858399.db2.gz KMZOUJQBAIWPIK-CVEARBPZSA-N 0 3 324.440 2.087 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCOC(C)C)C2)CC1 ZINC001488974802 1092858438 /nfs/dbraw/zinc/85/84/38/1092858438.db2.gz VBEMUBKVXOKXGO-INIZCTEOSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=O)NCC(C)C ZINC001490290889 1093279629 /nfs/dbraw/zinc/27/96/29/1093279629.db2.gz LJURICKYROIXPZ-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001490409059 1093368753 /nfs/dbraw/zinc/36/87/53/1093368753.db2.gz GXARHGCNPCWPOM-UHFFFAOYSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC001490537784 1093401511 /nfs/dbraw/zinc/40/15/11/1093401511.db2.gz NCWYCAROGITFRQ-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN1CCC(N(CCC)C(=O)c2cc(C)[nH]n2)CC1 ZINC001490609442 1093446039 /nfs/dbraw/zinc/44/60/39/1093446039.db2.gz OAPJIPMJNXTJLY-UHFFFAOYSA-N 0 3 302.422 2.058 20 30 DEEDHN COC(C)(C)CN1CC[C@]2(CCCN2CCCCC#N)C1=O ZINC001274042623 1093779096 /nfs/dbraw/zinc/77/90/96/1093779096.db2.gz IPAYBQYXUWWHKU-QGZVFWFLSA-N 0 3 307.438 2.172 20 30 DEEDHN CN1C[C@@H](c2cccnc2)C2(CCN(CCCC#N)CC2)C1=O ZINC001274040066 1093779112 /nfs/dbraw/zinc/77/91/12/1093779112.db2.gz FSGYPTCFRKUQQJ-INIZCTEOSA-N 0 3 312.417 2.023 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccc3cncn31)CC2 ZINC001274111423 1093802843 /nfs/dbraw/zinc/80/28/43/1093802843.db2.gz ZAHVOLHOROXQEM-KRWDZBQOSA-N 0 3 324.428 2.239 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(C)ns2)C1 ZINC001274188765 1093841200 /nfs/dbraw/zinc/84/12/00/1093841200.db2.gz KETOZIACPLXMEB-DOMZBBRYSA-N 0 3 305.447 2.192 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001274188038 1093842402 /nfs/dbraw/zinc/84/24/02/1093842402.db2.gz DEDYAXCYWPCDEU-XJKSGUPXSA-N 0 3 315.442 2.360 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001420919066 1171348457 /nfs/dbraw/zinc/34/84/57/1171348457.db2.gz BBFPNYBRLILJCT-CQSZACIVSA-N 0 3 313.873 2.004 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1ccc(OCC)cc1 ZINC001278010522 1138428658 /nfs/dbraw/zinc/42/86/58/1138428658.db2.gz SOIDPDOVSWVQNP-HNNXBMFYSA-N 0 3 302.418 2.088 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCCn2nc(C)cc2C)CC1 ZINC001278078985 1138562203 /nfs/dbraw/zinc/56/22/03/1138562203.db2.gz BTJVXTDBUVNBPS-UHFFFAOYSA-N 0 3 318.465 2.437 20 30 DEEDHN CCOC(=O)c1csc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001237343773 1138586637 /nfs/dbraw/zinc/58/66/37/1138586637.db2.gz VVWJPSVNEFRSNL-LLVKDONJSA-N 0 3 324.427 2.094 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cn[nH]c1CC ZINC001237653545 1138738774 /nfs/dbraw/zinc/73/87/74/1138738774.db2.gz HGIINZPQWWULCB-MRXNPFEDSA-N 0 3 315.421 2.008 20 30 DEEDHN CC(C)(O)CCN1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195349 1138833944 /nfs/dbraw/zinc/83/39/44/1138833944.db2.gz FRFOWDOOAVGZFW-UHFFFAOYSA-N 0 3 321.852 2.490 20 30 DEEDHN CCOc1cc(CN2CCC3SC(=O)C=C3C2)c(F)cn1 ZINC001238722594 1138869057 /nfs/dbraw/zinc/86/90/57/1138869057.db2.gz AHTLBBQBERJNOT-ZDUSSCGKSA-N 0 3 308.378 2.394 20 30 DEEDHN CCCCCCCCCCOC(=O)N[C@@H](CN)C(=O)OC ZINC001239314858 1139019381 /nfs/dbraw/zinc/01/93/81/1139019381.db2.gz GJDGOBVNTPLCRT-ZDUSSCGKSA-N 0 3 302.415 2.354 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001293790803 1139039630 /nfs/dbraw/zinc/03/96/30/1139039630.db2.gz DGKSRMAPSWBBAR-GOEBONIOSA-N 0 3 323.481 2.036 20 30 DEEDHN CCc1nc(C#N)cc(-c2cccc(CN3CCN(C)CC3)c2)n1 ZINC001240293477 1139321609 /nfs/dbraw/zinc/32/16/09/1139321609.db2.gz IUBWICRPEVWKGJ-UHFFFAOYSA-N 0 3 321.428 2.325 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001295258230 1139361339 /nfs/dbraw/zinc/36/13/39/1139361339.db2.gz ZKFNDSNRSPCYNY-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001297372678 1139864020 /nfs/dbraw/zinc/86/40/20/1139864020.db2.gz ANRJOQXEODZSSI-STQMWFEESA-N 0 3 322.371 2.453 20 30 DEEDHN C=CCCC(=O)NC1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001297507681 1139875075 /nfs/dbraw/zinc/87/50/75/1139875075.db2.gz IEPIRCRTFKBLAK-MRXNPFEDSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CC12CCC2)NCc1ccc(F)c(C#N)c1 ZINC001491592728 1140186947 /nfs/dbraw/zinc/18/69/47/1140186947.db2.gz MPEGYJWOYUROGP-DOMZBBRYSA-N 0 3 315.392 2.482 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001491773409 1140305063 /nfs/dbraw/zinc/30/50/63/1140305063.db2.gz DWMKXFCOCFIDKH-WBVHZDCISA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001318472965 1140342591 /nfs/dbraw/zinc/34/25/91/1140342591.db2.gz KOILWEJSVOFSML-OAHLLOKOSA-N 0 3 304.438 2.014 20 30 DEEDHN CC[C@H](CNC(=O)c1ccns1)NCC#Cc1ccccc1 ZINC001318527434 1140360315 /nfs/dbraw/zinc/36/03/15/1140360315.db2.gz DLGLXZXZUPVSAV-OAHLLOKOSA-N 0 3 313.426 2.293 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1cnc(C)nc1 ZINC001318580455 1140367714 /nfs/dbraw/zinc/36/77/14/1140367714.db2.gz DNCXKJRVGCGWIU-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001318781449 1140412032 /nfs/dbraw/zinc/41/20/32/1140412032.db2.gz OKANRJQWWGESDA-LSDHHAIUSA-N 0 3 314.857 2.384 20 30 DEEDHN Cc1csc(CNCC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001318778455 1140412376 /nfs/dbraw/zinc/41/23/76/1140412376.db2.gz DTRROYOPVXKGAT-OCCSQVGLSA-N 0 3 320.462 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1cc2n(n1)CCCC2 ZINC001319224125 1140530076 /nfs/dbraw/zinc/53/00/76/1140530076.db2.gz DUIGLWJBUYKYIV-CQSZACIVSA-N 0 3 318.465 2.274 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CCCCO1 ZINC001319443259 1140578119 /nfs/dbraw/zinc/57/81/19/1140578119.db2.gz QHXNDMZDFFQGQO-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)c(OC)c2)C1 ZINC001278403251 1140593681 /nfs/dbraw/zinc/59/36/81/1140593681.db2.gz HIBXAQXYNNHMBM-GXTWGEPZSA-N 0 3 304.365 2.050 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(CCCC)nc2C)C1 ZINC001278411475 1140779678 /nfs/dbraw/zinc/77/96/78/1140779678.db2.gz RVKBLPYUQQIOOR-ZBFHGGJFSA-N 0 3 316.449 2.208 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001320009912 1140812078 /nfs/dbraw/zinc/81/20/78/1140812078.db2.gz XSUVCLLPVHGXNX-MRXNPFEDSA-N 0 3 302.418 2.301 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ccn(CC)n1 ZINC001320133860 1140826987 /nfs/dbraw/zinc/82/69/87/1140826987.db2.gz KGLHUOOFDWASIW-WBVHZDCISA-N 0 3 316.449 2.081 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC001278430871 1140860515 /nfs/dbraw/zinc/86/05/15/1140860515.db2.gz KCGVZCFGOKPPIV-NVXWUHKLSA-N 0 3 304.390 2.209 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@@H](C)C(=O)N(CC)CC)C1 ZINC001320839497 1140946386 /nfs/dbraw/zinc/94/63/86/1140946386.db2.gz YOQOHCQNAVBHAW-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCc3ccsc3)CCC[C@H]12 ZINC001278452783 1140954313 /nfs/dbraw/zinc/95/43/13/1140954313.db2.gz OCKKUANXRAQGAU-RDJZCZTQSA-N 0 3 302.443 2.427 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001321335967 1141173077 /nfs/dbraw/zinc/17/30/77/1141173077.db2.gz ISYDITBZWDNNEN-SREVYHEPSA-N 0 3 313.445 2.414 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001321479056 1141279747 /nfs/dbraw/zinc/27/97/47/1141279747.db2.gz NVIWHXFKVKKPCD-LSDHHAIUSA-N 0 3 304.459 2.132 20 30 DEEDHN Cc1cc(-c2noc([C@@H]3CNCc4ccnn4C3)n2)ccc1C#N ZINC001247136289 1141305394 /nfs/dbraw/zinc/30/53/94/1141305394.db2.gz FLOJLHKZNFDRKC-CQSZACIVSA-N 0 3 320.356 2.000 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)[C@@H](C)CC1CCCCC1 ZINC001322003864 1141379438 /nfs/dbraw/zinc/37/94/38/1141379438.db2.gz FFHPFFMOGNJKSI-HOTGVXAUSA-N 0 3 308.466 2.337 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(CO)cc1)NC(=O)C#CC(C)(C)C ZINC001322155345 1141419263 /nfs/dbraw/zinc/41/92/63/1141419263.db2.gz BVPWVOACNTVGHG-OAHLLOKOSA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccn1 ZINC001322273146 1141498942 /nfs/dbraw/zinc/49/89/42/1141498942.db2.gz DPDHFARARZIEMS-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cc2c(s1)CCC2 ZINC001322293248 1141506495 /nfs/dbraw/zinc/50/64/95/1141506495.db2.gz LWGBRBQNIKSSPC-ZDUSSCGKSA-N 0 3 322.474 2.490 20 30 DEEDHN CSC[C@H](C)C(=O)N(C)CCCNCc1ccccc1C#N ZINC001322442065 1141588696 /nfs/dbraw/zinc/58/86/96/1141588696.db2.gz HZFIDRGUOGNRCX-AWEZNQCLSA-N 0 3 319.474 2.495 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cnc2onc(CC)c2c1 ZINC001329623563 1148945477 /nfs/dbraw/zinc/94/54/77/1148945477.db2.gz KVNPWBFYSDSZBG-LLVKDONJSA-N 0 3 302.378 2.021 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2cscn2)[C@@H](CC)C1 ZINC001323128962 1141815790 /nfs/dbraw/zinc/81/57/90/1141815790.db2.gz IMSSGFDSVGAZKM-ZFWWWQNUSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCn2cccn2)[C@@H]1C ZINC001278509493 1141827608 /nfs/dbraw/zinc/82/76/08/1141827608.db2.gz AZGCHXVITGSSMX-HZPDHXFCSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2cccc(OC)c2)CC1 ZINC001323308767 1141840358 /nfs/dbraw/zinc/84/03/58/1141840358.db2.gz MCDMOXBXNBOUHR-MRXNPFEDSA-N 0 3 314.429 2.493 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC001323443978 1141854361 /nfs/dbraw/zinc/85/43/61/1141854361.db2.gz TVYYEWUIVSGVHE-MRXNPFEDSA-N 0 3 306.450 2.376 20 30 DEEDHN C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001323777349 1141886082 /nfs/dbraw/zinc/88/60/82/1141886082.db2.gz XUEDKOASDJJGNT-CALCHBBNSA-N 0 3 306.450 2.138 20 30 DEEDHN N#Cc1ccc2cc(CN3CCC(=O)N4CCC[C@@H]4C3)[nH]c2c1 ZINC001249431168 1141888585 /nfs/dbraw/zinc/88/85/85/1141888585.db2.gz WQEFNIBAYACERE-MRXNPFEDSA-N 0 3 308.385 2.236 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@](C)(C=C)CCOC)C2)C1 ZINC001323812784 1141889011 /nfs/dbraw/zinc/88/90/11/1141889011.db2.gz LKPRRAIUFDXFBF-MOPGFXCFSA-N 0 3 318.461 2.163 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3(CCF)CC3)C2)C1 ZINC001323813912 1141889460 /nfs/dbraw/zinc/88/94/60/1141889460.db2.gz VIEVUYWACJBUCG-QGZVFWFLSA-N 0 3 306.425 2.464 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2nccnc2C)C[C@@H]1C ZINC001324057590 1141990489 /nfs/dbraw/zinc/99/04/89/1141990489.db2.gz ROWDJKLSHQOFJQ-GOEBONIOSA-N 0 3 314.433 2.058 20 30 DEEDHN C=CCCC(=O)N[C@@H](CNCc1cnn(C)c1)C1CCCC1 ZINC001324452128 1142080508 /nfs/dbraw/zinc/08/05/08/1142080508.db2.gz CJDUYJHRPBWSPY-INIZCTEOSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)CSC)C2 ZINC001324550506 1142098932 /nfs/dbraw/zinc/09/89/32/1142098932.db2.gz UROVPYAHDOXUIB-WBVHZDCISA-N 0 3 308.491 2.323 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](CNCc2nccs2)C1 ZINC001278559999 1142138951 /nfs/dbraw/zinc/13/89/51/1142138951.db2.gz VJNNVTJYUUMJQN-KBPBESRZSA-N 0 3 305.447 2.321 20 30 DEEDHN CC(C)COCCN1CC[C@@](C)(NC(=O)C#CC(C)(C)C)C1 ZINC001324614252 1142150765 /nfs/dbraw/zinc/15/07/65/1142150765.db2.gz GMSOYDHQKTZLQZ-GOSISDBHSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(CCn2nc(C)cc2C)C1 ZINC001324618476 1142152163 /nfs/dbraw/zinc/15/21/63/1142152163.db2.gz AJGCUDMBDYGKLC-GOSISDBHSA-N 0 3 318.465 2.437 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001278585484 1142246747 /nfs/dbraw/zinc/24/67/47/1142246747.db2.gz LWCQFLBMDWRXGS-GJZGRUSLSA-N 0 3 318.465 2.490 20 30 DEEDHN C=CCCC(=O)N1C[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C(C)(C)C1 ZINC001278630668 1142380555 /nfs/dbraw/zinc/38/05/55/1142380555.db2.gz LZZWGTCNTOUMFG-STQMWFEESA-N 0 3 319.453 2.221 20 30 DEEDHN C#CCOC[C@@H](O)CN(C)Cc1ccccc1C(F)(F)F ZINC001251851075 1142519275 /nfs/dbraw/zinc/51/92/75/1142519275.db2.gz CWLQHJQWKVVEGU-ZDUSSCGKSA-N 0 3 301.308 2.148 20 30 DEEDHN C#CCOC[C@@H](O)CN(C)Cc1cccc(OC(F)(F)F)c1 ZINC001251860248 1142526311 /nfs/dbraw/zinc/52/63/11/1142526311.db2.gz FWJXVJXQTKZDQJ-ZDUSSCGKSA-N 0 3 317.307 2.028 20 30 DEEDHN C#C[C@H](C)NC[C@](C)(O)c1ccc(Br)cc1F ZINC001336783432 1142570244 /nfs/dbraw/zinc/57/02/44/1142570244.db2.gz HQLNQJGRIOJYCM-ZANVPECISA-N 0 3 300.171 2.407 20 30 DEEDHN CC#CC[C@H](CO)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC001336805663 1142579417 /nfs/dbraw/zinc/57/94/17/1142579417.db2.gz WCHIWXSSMKSKRF-BXUZGUMPSA-N 0 3 302.201 2.391 20 30 DEEDHN Cc1cc(C)cc(OC[C@H](O)CNCC#C[C@@H]2CCCCO2)c1 ZINC001336844111 1142596232 /nfs/dbraw/zinc/59/62/32/1142596232.db2.gz BCTZXJWNFGEEFZ-MSOLQXFVSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001337243603 1142716324 /nfs/dbraw/zinc/71/63/24/1142716324.db2.gz ASLUHESMMVKFMF-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC(Oc2ccccc2OC)CC1 ZINC001252471233 1142725874 /nfs/dbraw/zinc/72/58/74/1142725874.db2.gz VJUZIQCRJGATHG-HNNXBMFYSA-N 0 3 321.417 2.102 20 30 DEEDHN C=CCOC[C@@H](O)CN1CC=C(c2ccc(OC)cc2)CC1 ZINC001252474025 1142726889 /nfs/dbraw/zinc/72/68/89/1142726889.db2.gz VAQWCRYKKFVIFL-KRWDZBQOSA-N 0 3 303.402 2.348 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001252596133 1142775997 /nfs/dbraw/zinc/77/59/97/1142775997.db2.gz OUBXUBZUWOCUAT-QLFBSQMISA-N 0 3 310.438 2.255 20 30 DEEDHN C=CCC[C@H](O)CNCC(=O)CCC(=O)OCCCCCC ZINC001252619236 1142790549 /nfs/dbraw/zinc/79/05/49/1142790549.db2.gz CPOPXAZRVBLSCT-HNNXBMFYSA-N 0 3 313.438 2.376 20 30 DEEDHN CC(C)[C@](C)(C#N)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252943424 1142832522 /nfs/dbraw/zinc/83/25/22/1142832522.db2.gz FRLBJZIJLYRCQA-ROUUACIJSA-N 0 3 301.434 2.151 20 30 DEEDHN C=C[C@H](O)CN1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001253587009 1142882868 /nfs/dbraw/zinc/88/28/68/1142882868.db2.gz XJPMPVDPVMIJRM-LBPRGKRZSA-N 0 3 307.777 2.348 20 30 DEEDHN C=CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC=C ZINC001338933614 1142893232 /nfs/dbraw/zinc/89/32/32/1142893232.db2.gz GPNUKRIBZUMCOW-CABCVRRESA-N 0 3 319.453 2.086 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC001340200984 1143299985 /nfs/dbraw/zinc/29/99/85/1143299985.db2.gz URWUDAVFUQBMFV-ZFWWWQNUSA-N 0 3 317.437 2.003 20 30 DEEDHN C=CCn1c(C2CCN(C)CC2)nnc1N1CCC[C@H](C#N)C1 ZINC001340600847 1143379086 /nfs/dbraw/zinc/37/90/86/1143379086.db2.gz QTUYBCZXKCYYJT-CQSZACIVSA-N 0 3 314.437 2.013 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC001340651070 1143390884 /nfs/dbraw/zinc/39/08/84/1143390884.db2.gz OEIRCURLANBULM-QGZVFWFLSA-N 0 3 312.417 2.215 20 30 DEEDHN CC[C@@H](CC#N)NC[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255152031 1143446083 /nfs/dbraw/zinc/44/60/83/1143446083.db2.gz LTJKHVQNNUGGMP-KBPBESRZSA-N 0 3 323.437 2.294 20 30 DEEDHN CC[C@H](CC#N)N[C@@H]1[C@@H]2COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255152191 1143448921 /nfs/dbraw/zinc/44/89/21/1143448921.db2.gz NOFPUFNRIUSECF-BARDWOONSA-N 0 3 323.437 2.150 20 30 DEEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)C2CCOCC2)CC1 ZINC001255162474 1143450715 /nfs/dbraw/zinc/45/07/15/1143450715.db2.gz QNPBQNSXFHIORR-JYJNAYRXSA-N 0 3 307.438 2.122 20 30 DEEDHN CC[C@@H](CC#N)N[C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC001255160703 1143451933 /nfs/dbraw/zinc/45/19/33/1143451933.db2.gz OIMPZAVFAKGLDP-JYJNAYRXSA-N 0 3 300.406 2.404 20 30 DEEDHN CC[C@@H](CC#N)N1C[C@H]2[C@H](CC[C@@]23N=C(C)N(CC)C3=O)C1 ZINC001255169960 1143464149 /nfs/dbraw/zinc/46/41/49/1143464149.db2.gz MHUQTUJYQKBLCT-WBTNSWJXSA-N 0 3 302.422 2.040 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2F)cc1Cl ZINC001341955970 1143750988 /nfs/dbraw/zinc/75/09/88/1143750988.db2.gz SQTLSJWWIFJLIX-FXPVBKGRSA-N 0 3 310.712 2.354 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cncc(C#N)c2)C1 ZINC001255590663 1143773456 /nfs/dbraw/zinc/77/34/56/1143773456.db2.gz HAWQQAOZYDMHFH-CQSZACIVSA-N 0 3 302.378 2.052 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@H]2CCCO2)cc1 ZINC001342054601 1143777069 /nfs/dbraw/zinc/77/70/69/1143777069.db2.gz PEKYHXUBDGRTGN-NILFDRSVSA-N 0 3 316.357 2.158 20 30 DEEDHN C=CCn1c(-c2cocn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001342118971 1143793299 /nfs/dbraw/zinc/79/32/99/1143793299.db2.gz HDWIULSXTFJBTA-OLZOCXBDSA-N 0 3 316.409 2.038 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(OC)cn1 ZINC001342183108 1143801631 /nfs/dbraw/zinc/80/16/31/1143801631.db2.gz JFODJVLTCZBSRK-GOEBONIOSA-N 0 3 303.406 2.437 20 30 DEEDHN N#CC1(CNC2CCN(C(=O)C(F)(F)F)CC2)CCCC1 ZINC001255969409 1143817949 /nfs/dbraw/zinc/81/79/49/1143817949.db2.gz ABIMUVDFMUQTDD-UHFFFAOYSA-N 0 3 303.328 2.213 20 30 DEEDHN C#CCCN(C)CCN(C(=O)COc1ccsc1)C(C)C ZINC001278926430 1143841125 /nfs/dbraw/zinc/84/11/25/1143841125.db2.gz MBJNKSNGYLGOMC-UHFFFAOYSA-N 0 3 308.447 2.319 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(CCC)on1)C(C)C ZINC001278926785 1143841689 /nfs/dbraw/zinc/84/16/89/1143841689.db2.gz YWMMNBFMMXDITN-UHFFFAOYSA-N 0 3 305.422 2.433 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cccc(C(=O)NC)c1)C(C)C ZINC001278929324 1143842210 /nfs/dbraw/zinc/84/22/10/1143842210.db2.gz CAKKHIFSCYMCLB-UHFFFAOYSA-N 0 3 317.433 2.015 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](NC(=O)/C(C)=C\CC)C(C)(C)C ZINC001278945011 1143852421 /nfs/dbraw/zinc/85/24/21/1143852421.db2.gz FVYBXSRSBFHSKG-ZKHYDWRDSA-N 0 3 323.481 2.154 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CCCCOC)C2)CC1 ZINC001278964032 1143866813 /nfs/dbraw/zinc/86/68/13/1143866813.db2.gz KOJKMCUHWRKENO-SFHVURJKSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCC[C@@H](C)N1CCc2onc(CN3CCOCC3)c2C1 ZINC001258729207 1144036515 /nfs/dbraw/zinc/03/65/15/1144036515.db2.gz UOUPODWECBAMPN-CQSZACIVSA-N 0 3 305.422 2.220 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@](C)(NC(=O)CN(CC)CC)C1 ZINC001299541175 1144053514 /nfs/dbraw/zinc/05/35/14/1144053514.db2.gz RBRITCOJNHQSGO-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccn1 ZINC001261261576 1144228598 /nfs/dbraw/zinc/22/85/98/1144228598.db2.gz AHSNMJBBRXDCBG-OAGGEKHMSA-N 0 3 302.422 2.086 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(F)(F)CC[C@H]2C)CC1 ZINC001263084987 1144354128 /nfs/dbraw/zinc/35/41/28/1144354128.db2.gz LUEFDIHHBGBNSL-GFCCVEGCSA-N 0 3 301.381 2.466 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001263840241 1144408551 /nfs/dbraw/zinc/40/85/51/1144408551.db2.gz AJOZNXDXZMBLKA-PMOUVXMZSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2nccnc2C)C1 ZINC001263915184 1144423798 /nfs/dbraw/zinc/42/37/98/1144423798.db2.gz NROBIECFQJODAL-LSDHHAIUSA-N 0 3 316.449 2.372 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H](C)N(C(=O)CC(C)C)C2)CC1 ZINC001263934566 1144426828 /nfs/dbraw/zinc/42/68/28/1144426828.db2.gz GMLOGBZRZWRHCZ-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCCn2nc(C)cc2C)[C@H]1C ZINC001264162544 1144492036 /nfs/dbraw/zinc/49/20/36/1144492036.db2.gz XWSKZZOXZFXCMM-CVEARBPZSA-N 0 3 304.438 2.045 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccc(OC)cc2)[C@H]1C ZINC001264172796 1144495338 /nfs/dbraw/zinc/49/53/38/1144495338.db2.gz QUQNNVATKLNURR-PBHICJAKSA-N 0 3 318.417 2.229 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)Cc2cccc(OC)c2)CC1 ZINC001279104502 1144554412 /nfs/dbraw/zinc/55/44/12/1144554412.db2.gz HLZQBFUUJDRICR-OAHLLOKOSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(C)=O ZINC001264540043 1144562236 /nfs/dbraw/zinc/56/22/36/1144562236.db2.gz MNCOHCGQRJJHSM-INMHGKMJSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 ZINC001264636430 1144583100 /nfs/dbraw/zinc/58/31/00/1144583100.db2.gz SRFCYSVZDCMWCK-QGZVFWFLSA-N 0 3 316.445 2.388 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCCC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001264679491 1144591636 /nfs/dbraw/zinc/59/16/36/1144591636.db2.gz GASOHBCEFJZKGI-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H]1CCO[C@H](CCC)C1)C1CC1 ZINC001265180655 1144661402 /nfs/dbraw/zinc/66/14/02/1144661402.db2.gz YHMCIFDHVFRCKU-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCc2ccc(OC)nc2)C1 ZINC001265218971 1144669765 /nfs/dbraw/zinc/66/97/65/1144669765.db2.gz PPZBOMQRBFYBDP-MRXNPFEDSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001265244676 1144675764 /nfs/dbraw/zinc/67/57/64/1144675764.db2.gz LLPZGAGOVIVRBT-RCCFBDPRSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2ccc(C)cc2F)CC1 ZINC001265264582 1144677195 /nfs/dbraw/zinc/67/71/95/1144677195.db2.gz WCWALVIHBBULOI-UHFFFAOYSA-N 0 3 319.424 2.058 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](NCc1cn(C)nc1C)C1CC1 ZINC001265358382 1144698159 /nfs/dbraw/zinc/69/81/59/1144698159.db2.gz IDDWTXNRAMAUFR-INIZCTEOSA-N 0 3 304.438 2.069 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001265386744 1144701231 /nfs/dbraw/zinc/70/12/31/1144701231.db2.gz LXHKWPUJIBNYJO-PKOBYXMFSA-N 0 3 323.440 2.368 20 30 DEEDHN CCOCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001265420130 1144703278 /nfs/dbraw/zinc/70/32/78/1144703278.db2.gz WLKNZXKTZLGIKB-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@@H]2CN(CC#CC)CC[C@H]21 ZINC001265523493 1144708871 /nfs/dbraw/zinc/70/88/71/1144708871.db2.gz LQPBVHQSIVDBIN-QZTJIDSGSA-N 0 3 318.461 2.305 20 30 DEEDHN CCc1cc(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)no1 ZINC001265567410 1144712373 /nfs/dbraw/zinc/71/23/73/1144712373.db2.gz ZVEGAOOKRPUYKS-IYBDPMFKSA-N 0 3 323.396 2.139 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001265582965 1144715125 /nfs/dbraw/zinc/71/51/25/1144715125.db2.gz XUTGQVPJKMXSAM-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001265592429 1144716084 /nfs/dbraw/zinc/71/60/84/1144716084.db2.gz BAXIEHJDYBAANB-LSDHHAIUSA-N 0 3 302.393 2.391 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCc2cccc(F)c2F)C1 ZINC001265596697 1144716336 /nfs/dbraw/zinc/71/63/36/1144716336.db2.gz ITAMNNBBLFSQLK-CQSZACIVSA-N 0 3 320.383 2.359 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001265603271 1144717308 /nfs/dbraw/zinc/71/73/08/1144717308.db2.gz SMMIWLFXDYUGGO-OAHLLOKOSA-N 0 3 304.438 2.023 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)COc2cccc(C)c2)C1 ZINC001265707702 1144732418 /nfs/dbraw/zinc/73/24/18/1144732418.db2.gz DRQKTMBSHNMJBU-IRXDYDNUSA-N 0 3 314.429 2.224 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cnnn1C ZINC001265998271 1144780627 /nfs/dbraw/zinc/78/06/27/1144780627.db2.gz RORJVUJOIVXVKM-GOEBONIOSA-N 0 3 319.453 2.031 20 30 DEEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1cc(F)ccc1OC ZINC001266027944 1144793903 /nfs/dbraw/zinc/79/39/03/1144793903.db2.gz CYVHZDNENAAECQ-CYBMUJFWSA-N 0 3 321.396 2.322 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(C)c(F)cc1F)C1CC1 ZINC001266143029 1144809353 /nfs/dbraw/zinc/80/93/53/1144809353.db2.gz JSSHOUZJZKNZEB-UHFFFAOYSA-N 0 3 306.356 2.491 20 30 DEEDHN COCC#CCN(CCCNC(=O)CC1CC(C)(C)C1)C1CC1 ZINC001266153988 1144810222 /nfs/dbraw/zinc/81/02/22/1144810222.db2.gz XDPPVYZAMKRNLY-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(CCCNC(=O)C1(c2ccccc2F)CC1)C1CC1 ZINC001266166371 1144811025 /nfs/dbraw/zinc/81/10/25/1144811025.db2.gz ZATNXHKXUVCFHV-UHFFFAOYSA-N 0 3 314.404 2.461 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](CCC)OCC)CC1 ZINC001279147089 1144818931 /nfs/dbraw/zinc/81/89/31/1144818931.db2.gz XCMUYNDKHIWQHM-DOTOQJQBSA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)Cc3ccoc3)CC2)CC1 ZINC001279353354 1144821205 /nfs/dbraw/zinc/82/12/05/1144821205.db2.gz WOLHQPHPBSTFDF-UHFFFAOYSA-N 0 3 300.402 2.206 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@]1(CO)CCCN(CC)C1)c1ccccc1 ZINC001279530919 1144823964 /nfs/dbraw/zinc/82/39/64/1144823964.db2.gz XNRRXOAVEIEQNL-LPHOPBHVSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ncoc2CC)cc1 ZINC001280340218 1144835981 /nfs/dbraw/zinc/83/59/81/1144835981.db2.gz KEPNKOXJIAQFQI-CYBMUJFWSA-N 0 3 311.385 2.451 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001280835532 1144858857 /nfs/dbraw/zinc/85/88/57/1144858857.db2.gz JGXOJCDQLSIQSY-NNZMDNLPSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2cc(C)ns2)CCOCC1 ZINC001281211777 1144878261 /nfs/dbraw/zinc/87/82/61/1144878261.db2.gz MDQDCOHSNXPLJW-UHFFFAOYSA-N 0 3 323.462 2.173 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCn2cc(Cl)cn2)C(C)(C)C1 ZINC001281568481 1144897895 /nfs/dbraw/zinc/89/78/95/1144897895.db2.gz VFNCZHQIEFLNQU-AWEZNQCLSA-N 0 3 324.856 2.329 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCc1c(C)noc1C ZINC001282678618 1145123481 /nfs/dbraw/zinc/12/34/81/1145123481.db2.gz XBMSKXJJNDMUTB-INIZCTEOSA-N 0 3 317.433 2.218 20 30 DEEDHN CC1(C)CN(CCCCCF)C[C@H]1NC(=O)CSCC#N ZINC001282787502 1145164695 /nfs/dbraw/zinc/16/46/95/1145164695.db2.gz ZAOFEGCWEYVAHJ-CYBMUJFWSA-N 0 3 315.458 2.210 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001282834917 1145174758 /nfs/dbraw/zinc/17/47/58/1145174758.db2.gz WTQBDVILYZLQFD-SJORKVTESA-N 0 3 315.461 2.302 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@@H]([C@@H](C)NCc2cncs2)C1 ZINC001282916694 1145201470 /nfs/dbraw/zinc/20/14/70/1145201470.db2.gz UUZAHGWFWJTTFF-UKRRQHHQSA-N 0 3 323.462 2.205 20 30 DEEDHN CC[C@H](C)N[C@@H](CNc1cnc(C#N)c(C#N)n1)c1ccco1 ZINC001364555218 1145338681 /nfs/dbraw/zinc/33/86/81/1145338681.db2.gz GBAMATIRWCBLET-FZMZJTMJSA-N 0 3 310.361 2.354 20 30 DEEDHN Cc1noc(C)c1CN(C)C1CCN(C(=O)C#CC(C)C)CC1 ZINC001283307092 1145353972 /nfs/dbraw/zinc/35/39/72/1145353972.db2.gz KALFJCCFJMFEHP-UHFFFAOYSA-N 0 3 317.433 2.374 20 30 DEEDHN C=CCNC(=O)CN(C)C1CCN(C(=O)CC(CC)CC)CC1 ZINC001283333741 1145366876 /nfs/dbraw/zinc/36/68/76/1145366876.db2.gz BQJMJBIGJIMHHX-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001283467504 1145450115 /nfs/dbraw/zinc/45/01/15/1145450115.db2.gz 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C=C(C)CN1CCC[C@@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001317503478 1147535540 /nfs/dbraw/zinc/53/55/40/1147535540.db2.gz NXOYPGGZGYIDFT-OAHLLOKOSA-N 0 3 304.438 2.083 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001314492383 1147575582 /nfs/dbraw/zinc/57/55/82/1147575582.db2.gz KYTLPNOGQCGPFD-NXHRZFHOSA-N 0 3 311.429 2.274 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)C[C@@H]2C1 ZINC001316752990 1147594291 /nfs/dbraw/zinc/59/42/91/1147594291.db2.gz WCEVCRRPZDNGNY-KVPVBUAESA-N 0 3 318.461 2.019 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccoc1C(C)C ZINC001316765556 1147595599 /nfs/dbraw/zinc/59/55/99/1147595599.db2.gz BAEVXVDQUVMKNQ-UHFFFAOYSA-N 0 3 306.406 2.057 20 30 DEEDHN CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001316874930 1147618463 /nfs/dbraw/zinc/61/84/63/1147618463.db2.gz VCEGUJQPZWCQJF-GDBMZVCRSA-N 0 3 300.402 2.388 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2ccc(C)cc2)CC1 ZINC001316961338 1147639876 /nfs/dbraw/zinc/63/98/76/1147639876.db2.gz 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ZINC001317231260 1147680287 /nfs/dbraw/zinc/68/02/87/1147680287.db2.gz YJOHOQKIGHAZTN-ZDUSSCGKSA-N 0 3 304.390 2.018 20 30 DEEDHN C=CCC1(C(=O)NCCN(C)C[C@H](O)CC(F)(F)F)CCC1 ZINC001317460413 1147711840 /nfs/dbraw/zinc/71/18/40/1147711840.db2.gz WEGOTOYVHANKLG-GFCCVEGCSA-N 0 3 322.371 2.094 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)c1cccnc1 ZINC001317543712 1147723038 /nfs/dbraw/zinc/72/30/38/1147723038.db2.gz SQZHCGIXGMEOND-UHFFFAOYSA-N 0 3 301.434 2.211 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc2c(c1)CCN2C ZINC001317548120 1147723226 /nfs/dbraw/zinc/72/32/26/1147723226.db2.gz SCHGQFJGOHQCMS-UHFFFAOYSA-N 0 3 313.445 2.144 20 30 DEEDHN C=CCN(CCNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CC1 ZINC001317560161 1147725238 /nfs/dbraw/zinc/72/52/38/1147725238.db2.gz WQZQGPCICPYAEJ-ZDUSSCGKSA-N 0 3 306.381 2.360 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)[C@H]1CCCOC1)c1ccccc1 ZINC001317715237 1147746676 /nfs/dbraw/zinc/74/66/76/1147746676.db2.gz MVUDRAHQZBFHNI-DLBZAZTESA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001318338140 1147812268 /nfs/dbraw/zinc/81/22/68/1147812268.db2.gz OKXKTKDQURAVHI-GOSISDBHSA-N 0 3 316.445 2.185 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001324948329 1147861434 /nfs/dbraw/zinc/86/14/34/1147861434.db2.gz RLMCNHITCDBLMD-NJAFHUGGSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001325136967 1147879631 /nfs/dbraw/zinc/87/96/31/1147879631.db2.gz ADXKVUJPENFNSG-OBONGRFPSA-N 0 3 320.477 2.332 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H](OC)C(C)C ZINC001325701700 1147985718 /nfs/dbraw/zinc/98/57/18/1147985718.db2.gz OSFJZDMANHNYEI-GOSISDBHSA-N 0 3 316.445 2.299 20 30 DEEDHN CC(=O)Nc1c(C)ccc(NC(=O)[C@H](N)CCCC#N)c1C ZINC001325791080 1148000041 /nfs/dbraw/zinc/00/00/41/1148000041.db2.gz KHEMYKUZALERGV-CYBMUJFWSA-N 0 3 302.378 2.222 20 30 DEEDHN C=CCCC(=O)N[C@@]1(CO)CCCN(CC2=CCCCC2)C1 ZINC001325817867 1148003093 /nfs/dbraw/zinc/00/30/93/1148003093.db2.gz 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1148107647 /nfs/dbraw/zinc/10/76/47/1148107647.db2.gz DPHDZQJAOOMVCQ-HUUCEWRRSA-N 0 3 314.429 2.402 20 30 DEEDHN COC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC001326823935 1148260836 /nfs/dbraw/zinc/26/08/36/1148260836.db2.gz SWZXVEBCSVMWDF-CYBMUJFWSA-N 0 3 323.780 2.476 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cc(C)c(Cl)cn2)CCC1 ZINC001326843251 1148266666 /nfs/dbraw/zinc/26/66/66/1148266666.db2.gz JSKCDYQABBHRBD-UHFFFAOYSA-N 0 3 319.836 2.238 20 30 DEEDHN CC[C@H](F)CN1CCC(C)(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001368198981 1148320551 /nfs/dbraw/zinc/32/05/51/1148320551.db2.gz ONUPXGZUPXPUAM-AWEZNQCLSA-N 0 3 320.412 2.466 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)/C=C/C(C)(C)C)CC1 ZINC001327111497 1148328718 /nfs/dbraw/zinc/32/87/18/1148328718.db2.gz RXDILIQEGUXXOP-PXUDHTSWSA-N 0 3 306.450 2.209 20 30 DEEDHN CC[C@H](F)CN1CCC[C@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001368221502 1148339614 /nfs/dbraw/zinc/33/96/14/1148339614.db2.gz LEWLSVNMHPRXPH-WMLDXEAASA-N 0 3 320.412 2.466 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CCOc2cccc(C)c2)CC1 ZINC001327164872 1148341009 /nfs/dbraw/zinc/34/10/09/1148341009.db2.gz XZRFBFCRHREIEO-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c(C#N)c1 ZINC000181236117 199269177 /nfs/dbraw/zinc/26/91/77/199269177.db2.gz LHGCICQBIAWPBD-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000424106639 230596997 /nfs/dbraw/zinc/59/69/97/230596997.db2.gz XRXBIOILWKAZPA-HZPDHXFCSA-N 0 3 317.389 2.204 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000424146018 230600880 /nfs/dbraw/zinc/60/08/80/230600880.db2.gz ORMXYJBVVMNGRG-AWEZNQCLSA-N 0 3 311.345 2.229 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000278676870 214318642 /nfs/dbraw/zinc/31/86/42/214318642.db2.gz QDRDJRRTRQPABH-SFHVURJKSA-N 0 3 302.418 2.048 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H](O)C(C)C ZINC000412717884 529546299 /nfs/dbraw/zinc/54/62/99/529546299.db2.gz LYZIFMFYWSXJOD-ULQDDVLXSA-N 0 3 313.401 2.152 20 30 DEEDHN C=CCNC(=O)CN(Cc1ccccc1)C1(CO)CCCC1 ZINC000625455953 365794039 /nfs/dbraw/zinc/79/40/39/365794039.db2.gz UHTPHSDOQWLDJS-UHFFFAOYSA-N 0 3 302.418 2.096 20 30 DEEDHN CN(CCCOc1ccc(F)cc1)C(=O)[C@H](N)CCCC#N ZINC000424096417 529895022 /nfs/dbraw/zinc/89/50/22/529895022.db2.gz PBQXOHYKUDWROJ-OAHLLOKOSA-N 0 3 307.369 2.074 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000614510832 362399590 /nfs/dbraw/zinc/39/95/90/362399590.db2.gz RBYUXXPEEIZUFB-UHFFFAOYSA-N 0 3 310.332 2.055 20 30 DEEDHN CN1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000269693443 530053440 /nfs/dbraw/zinc/05/34/40/530053440.db2.gz OPKWRYZUPWQEGC-MRXNPFEDSA-N 0 3 300.406 2.379 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@]2(C)CCO[C@@H]2C)c(C#N)c1C ZINC000494271395 282457612 /nfs/dbraw/zinc/45/76/12/282457612.db2.gz PRAFSUIXCVLBNJ-IETSOEAISA-N 0 3 305.378 2.252 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C(C)C ZINC000177851137 186193731 /nfs/dbraw/zinc/19/37/31/186193731.db2.gz MSELCAOYBWQMRC-INIZCTEOSA-N 0 3 300.406 2.315 20 30 DEEDHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000328737221 539910137 /nfs/dbraw/zinc/91/01/37/539910137.db2.gz LQFOYCJQQBQUSS-SOUVJXGZSA-N 0 3 321.465 2.464 20 30 DEEDHN Cc1cn2cc(NC(=O)N3CC[C@H](N4CC=CC4)C3)ccc2n1 ZINC000328610851 539908672 /nfs/dbraw/zinc/90/86/72/539908672.db2.gz OASXGIRHVIWGMV-HNNXBMFYSA-N 0 3 311.389 2.134 20 30 DEEDHN Cc1csc(C(C)(C)NC(=O)N[C@@H]2CCN(C3CC3)C2)n1 ZINC000329313233 539918249 /nfs/dbraw/zinc/91/82/49/539918249.db2.gz DCKGLXDKSXHZTC-LLVKDONJSA-N 0 3 308.451 2.427 20 30 DEEDHN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329325982 539918301 /nfs/dbraw/zinc/91/83/01/539918301.db2.gz TWIKOAMUNRHEDZ-DZGCQCFKSA-N 0 3 319.453 2.264 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000329558308 539923059 /nfs/dbraw/zinc/92/30/59/539923059.db2.gz HXYVXCJJXXKVQH-LZWOXQAQSA-N 0 3 321.465 2.464 20 30 DEEDHN Cc1cccc(CCNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000329893148 539931417 /nfs/dbraw/zinc/93/14/17/539931417.db2.gz ALXYORSSRKDKGC-UKRRQHHQSA-N 0 3 302.422 2.061 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000072895650 191248678 /nfs/dbraw/zinc/24/86/78/191248678.db2.gz VQPOVPRVBQQILV-SJORKVTESA-N 0 3 315.461 2.274 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cnc2nccnc2c1 ZINC000329933811 539932251 /nfs/dbraw/zinc/93/22/51/539932251.db2.gz BSPADNZNHLFOKE-AWEZNQCLSA-N 0 3 311.389 2.346 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1F ZINC000331879306 234228039 /nfs/dbraw/zinc/22/80/39/234228039.db2.gz HQJCTZJZPJLSPJ-ARFHVFGLSA-N 0 3 304.365 2.059 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)NC1CCN(C)CC1 ZINC000173470395 198218583 /nfs/dbraw/zinc/21/85/83/198218583.db2.gz ORXAPXVSDNCEFC-UHFFFAOYSA-N 0 3 305.353 2.053 20 30 DEEDHN CN(CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000011483868 354021518 /nfs/dbraw/zinc/02/15/18/354021518.db2.gz PYBGHTOQFVRNIR-UHFFFAOYSA-N 0 3 321.446 2.141 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)n1cccn1)C(C)C ZINC000042393624 354194577 /nfs/dbraw/zinc/19/45/77/354194577.db2.gz LSBUJDDOKIGKSR-JKSUJKDBSA-N 0 3 304.438 2.259 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCn1cccn1)C(C)C ZINC000046049074 354270019 /nfs/dbraw/zinc/27/00/19/354270019.db2.gz JHAGEFKQZLZLQB-MRXNPFEDSA-N 0 3 304.438 2.088 20 30 DEEDHN CCCNC(=O)[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000050993947 354377421 /nfs/dbraw/zinc/37/74/21/354377421.db2.gz UCTXZZVSAWSABO-INIZCTEOSA-N 0 3 315.417 2.175 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000050993655 354377968 /nfs/dbraw/zinc/37/79/68/354377968.db2.gz QNSBZJJHVCJMQA-MRXNPFEDSA-N 0 3 315.417 2.175 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)COc1ccc(C#N)cc1 ZINC000055401492 354496596 /nfs/dbraw/zinc/49/65/96/354496596.db2.gz XGCXQXQGRHYEGF-HUUCEWRRSA-N 0 3 315.417 2.174 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(NC(=O)OC)c2)CC1 ZINC000057175630 354559699 /nfs/dbraw/zinc/55/96/99/354559699.db2.gz CUBJZLRQFWKZJC-UHFFFAOYSA-N 0 3 315.373 2.149 20 30 DEEDHN COc1cccc(N2CC[C@@H](NCc3cc(C#N)n(C)c3)C2)c1 ZINC000277002406 213232506 /nfs/dbraw/zinc/23/25/06/213232506.db2.gz ZVJADXVPFLCELR-OAHLLOKOSA-N 0 3 310.401 2.274 20 30 DEEDHN CCN1CCN(C[C@@H](C)CNc2cccc(F)c2C#N)CC1 ZINC000060380191 354612606 /nfs/dbraw/zinc/61/26/06/354612606.db2.gz VTPJLWDNFQRYGP-AWEZNQCLSA-N 0 3 304.413 2.383 20 30 DEEDHN CC(C)N1CCCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000068800874 354834070 /nfs/dbraw/zinc/83/40/70/354834070.db2.gz GJVVAIFENMJTPN-HNNXBMFYSA-N 0 3 315.417 2.268 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@](C)(O)Cc2ccccc2)CC1 ZINC000073437018 354959342 /nfs/dbraw/zinc/95/93/42/354959342.db2.gz YLFLXEYOLWVCQH-IBGZPJMESA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc(C)on1)C(C)C ZINC000073640430 354973083 /nfs/dbraw/zinc/97/30/83/354973083.db2.gz QSSPFJBPLQTEPM-INIZCTEOSA-N 0 3 305.422 2.340 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000074491222 355032624 /nfs/dbraw/zinc/03/26/24/355032624.db2.gz LDEDVDPKVLBCRH-MRXNPFEDSA-N 0 3 300.406 2.184 20 30 DEEDHN C=CCOc1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1 ZINC000353701531 540070871 /nfs/dbraw/zinc/07/08/71/540070871.db2.gz GPJSKFRGQOEIDT-UHFFFAOYSA-N 0 3 300.402 2.354 20 30 DEEDHN CC[C@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000076072622 355123221 /nfs/dbraw/zinc/12/32/21/355123221.db2.gz TYVWTBMAJXKPDE-RDJZCZTQSA-N 0 3 320.458 2.320 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000410589361 283098093 /nfs/dbraw/zinc/09/80/93/283098093.db2.gz LPGWPUCJVJHVLE-RKVPGOIHSA-N 0 3 301.434 2.403 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000080959039 355396306 /nfs/dbraw/zinc/39/63/06/355396306.db2.gz YGWXYRCTGIWYNW-HNNXBMFYSA-N 0 3 323.400 2.490 20 30 DEEDHN Cc1ccsc1CNC[C@H](O)COc1ccccc1C#N ZINC000094879752 355696590 /nfs/dbraw/zinc/69/65/90/355696590.db2.gz SWRQGBFCXDMXOB-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000171483973 356003623 /nfs/dbraw/zinc/00/36/23/356003623.db2.gz WYYHXKRURUTAQT-CYBMUJFWSA-N 0 3 318.396 2.228 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCO[C@H](C)C1 ZINC000245400371 356308471 /nfs/dbraw/zinc/30/84/71/356308471.db2.gz BXGRWJNIOXMOTI-NVXWUHKLSA-N 0 3 305.418 2.266 20 30 DEEDHN CC1(C)CN(CC#Cc2cccc(Cl)c2)CCN1CCO ZINC000682034987 542254674 /nfs/dbraw/zinc/25/46/74/542254674.db2.gz ORQCDZFFWPOUDJ-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN CC1(C)CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000383083675 356678424 /nfs/dbraw/zinc/67/84/24/356678424.db2.gz IABZODPQLXYJCO-UHFFFAOYSA-N 0 3 307.401 2.449 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC3(CC3(F)F)CC2)cc1 ZINC000404726396 356733926 /nfs/dbraw/zinc/73/39/26/356733926.db2.gz YXXOYXBLQYKVGQ-AWEZNQCLSA-N 0 3 322.355 2.419 20 30 DEEDHN N#C[C@@]1(F)CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000586770443 357367809 /nfs/dbraw/zinc/36/78/09/357367809.db2.gz MDFIYUNVPALWDZ-SFHVURJKSA-N 0 3 316.424 2.136 20 30 DEEDHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000588821938 357426018 /nfs/dbraw/zinc/42/60/18/357426018.db2.gz RVHUCEGPVVTUBI-ZBFHGGJFSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)CCCCCC#N)C[C@H](C)O1 ZINC000589840202 357499692 /nfs/dbraw/zinc/49/96/92/357499692.db2.gz ZCTFKTLTLOPFHS-HOTGVXAUSA-N 0 3 309.454 2.466 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)C2)C1 ZINC000589926352 357505656 /nfs/dbraw/zinc/50/56/56/357505656.db2.gz UYSVSMRRVYXENE-MJGOQNOKSA-N 0 3 324.428 2.283 20 30 DEEDHN N#CCN1CCC([NH2+]Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000589311828 357462187 /nfs/dbraw/zinc/46/21/87/357462187.db2.gz ZNKJGLMNSGRPCZ-UHFFFAOYSA-N 0 3 313.323 2.489 20 30 DEEDHN N#CCN1CCC(NCc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000589311828 357462191 /nfs/dbraw/zinc/46/21/91/357462191.db2.gz ZNKJGLMNSGRPCZ-UHFFFAOYSA-N 0 3 313.323 2.489 20 30 DEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc(C#N)n2)C1 ZINC000589333012 357464551 /nfs/dbraw/zinc/46/45/51/357464551.db2.gz IMMUBNFTIWFYLT-ZDUSSCGKSA-N 0 3 300.406 2.194 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C#N)n1 ZINC000589458274 357471438 /nfs/dbraw/zinc/47/14/38/357471438.db2.gz ODGVEEZYEIXFFW-KSSFIOAISA-N 0 3 320.396 2.204 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000590680597 357579507 /nfs/dbraw/zinc/57/95/07/357579507.db2.gz DHQFYBZXULDDMW-AWEZNQCLSA-N 0 3 324.384 2.164 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2(C(F)(F)F)CC2)cc1 ZINC000590913014 357641502 /nfs/dbraw/zinc/64/15/02/357641502.db2.gz GXYRXCNWMZGDGI-LBPRGKRZSA-N 0 3 307.275 2.452 20 30 DEEDHN C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)c1cccc(C#N)c1 ZINC000591310752 357705166 /nfs/dbraw/zinc/70/51/66/357705166.db2.gz IGRUQRNHYMBGHV-GFCCVEGCSA-N 0 3 321.384 2.482 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(CCO)CC1 ZINC000592888861 357969809 /nfs/dbraw/zinc/96/98/09/357969809.db2.gz YXIGDGLPUDCEKY-GOSISDBHSA-N 0 3 319.445 2.249 20 30 DEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N(C)CCN1CCCCC1 ZINC000593111668 358013322 /nfs/dbraw/zinc/01/33/22/358013322.db2.gz HQNZGPCVKJGDHL-KRWDZBQOSA-N 0 3 315.417 2.190 20 30 DEEDHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(C#N)c1 ZINC000179976454 199101357 /nfs/dbraw/zinc/10/13/57/199101357.db2.gz WJNLKHSHELKQBT-CJNGLKHVSA-N 0 3 302.374 2.131 20 30 DEEDHN CCOC(=O)[C@]1(NC(=O)C(C#N)CC)CCc2ccccc21 ZINC000593470880 358086041 /nfs/dbraw/zinc/08/60/41/358086041.db2.gz NQATYDXUKWGIAJ-PXAZEXFGSA-N 0 3 300.358 2.057 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000594038071 358193884 /nfs/dbraw/zinc/19/38/84/358193884.db2.gz GWKDWVPREYDREK-HNAYVOBHSA-N 0 3 311.429 2.291 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cocn1)C(C)C ZINC000594288865 358239224 /nfs/dbraw/zinc/23/92/24/358239224.db2.gz ZBXLADSQPPZQBG-OAHLLOKOSA-N 0 3 306.410 2.172 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000594317698 358242665 /nfs/dbraw/zinc/24/26/65/358242665.db2.gz DDGSDACMDSFPKC-LBTNJELSSA-N 0 3 311.429 2.336 20 30 DEEDHN N#Cc1ccc(OCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594201768 358222450 /nfs/dbraw/zinc/22/24/50/358222450.db2.gz RKBMPMAXNKVFKW-SJORKVTESA-N 0 3 313.401 2.070 20 30 DEEDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(CC#N)CC1 ZINC000595017844 358378327 /nfs/dbraw/zinc/37/83/27/358378327.db2.gz LWLQEVCTQGCJLQ-LBPRGKRZSA-N 0 3 318.377 2.242 20 30 DEEDHN COc1ccc(N2C[C@H](N[C@@H]3CCC[C@@H](C#N)C3)CC2=O)cc1 ZINC000595070407 358386698 /nfs/dbraw/zinc/38/66/98/358386698.db2.gz URFADTQSHOVMMU-RBSFLKMASA-N 0 3 313.401 2.472 20 30 DEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000595658086 358514422 /nfs/dbraw/zinc/51/44/22/358514422.db2.gz FNRGYXCEWXSIDR-HUUCEWRRSA-N 0 3 322.449 2.075 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCN1C ZINC000618816001 363611083 /nfs/dbraw/zinc/61/10/83/363611083.db2.gz XLDZZHOXPMUJPS-SRCQZFHVSA-N 0 3 312.417 2.327 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618820895 363611231 /nfs/dbraw/zinc/61/12/31/363611231.db2.gz LXFWLTGYIQMPDW-UUWFMWQGSA-N 0 3 324.428 2.327 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000595786177 358549331 /nfs/dbraw/zinc/54/93/31/358549331.db2.gz LFLOAKHBDKBWMO-RDJZCZTQSA-N 0 3 306.454 2.442 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595789815 358550413 /nfs/dbraw/zinc/55/04/13/358550413.db2.gz OQXHADSKMNOHGD-ZACQAIPSSA-N 0 3 321.465 2.276 20 30 DEEDHN C=CCCSCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000596715708 358745140 /nfs/dbraw/zinc/74/51/40/358745140.db2.gz LHDAHEJEGQHIMC-CQSZACIVSA-N 0 3 311.495 2.421 20 30 DEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000597715521 358986486 /nfs/dbraw/zinc/98/64/86/358986486.db2.gz LCKAFSVUTQIKAZ-KRWDZBQOSA-N 0 3 319.355 2.394 20 30 DEEDHN CC(C#N)C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000597747560 358996684 /nfs/dbraw/zinc/99/66/84/358996684.db2.gz DFHFALLNYOJTRX-OQPBUACISA-N 0 3 301.173 2.477 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000598604377 359259432 /nfs/dbraw/zinc/25/94/32/359259432.db2.gz MBOFGOFHQSATRM-MAUKXSAKSA-N 0 3 300.402 2.419 20 30 DEEDHN COCCN(CCc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598587356 359252476 /nfs/dbraw/zinc/25/24/76/359252476.db2.gz RBPKHBVIUGZYCY-KRWDZBQOSA-N 0 3 304.434 2.478 20 30 DEEDHN CC1CCC(N2CCN(C[C@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598592183 359253682 /nfs/dbraw/zinc/25/36/82/359253682.db2.gz HCJDPIMKDRQZPA-OFLPRAFFSA-N 0 3 307.482 2.483 20 30 DEEDHN CCCCCC(=O)NC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598591698 359253963 /nfs/dbraw/zinc/25/39/63/359253963.db2.gz YULWQGUFEYOLBB-MRXNPFEDSA-N 0 3 323.481 2.448 20 30 DEEDHN COC(=O)[C@H](C)[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598598020 359256806 /nfs/dbraw/zinc/25/68/06/359256806.db2.gz MFZYVRGLVBLPJN-FVQBIDKESA-N 0 3 318.417 2.427 20 30 DEEDHN Cc1ccc2c(c1)nc(CNC[C@@H](O)CC(C)(C)C#N)n2C ZINC000598723126 359305777 /nfs/dbraw/zinc/30/57/77/359305777.db2.gz FFINZLWYDMZNNH-ZDUSSCGKSA-N 0 3 300.406 2.272 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000598608210 359260384 /nfs/dbraw/zinc/26/03/84/359260384.db2.gz UEBIIUOCNODSGU-CABCVRRESA-N 0 3 316.449 2.309 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000598608216 359260513 /nfs/dbraw/zinc/26/05/13/359260513.db2.gz UEBIIUOCNODSGU-LSDHHAIUSA-N 0 3 316.449 2.309 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000598615527 359261268 /nfs/dbraw/zinc/26/12/68/359261268.db2.gz CJQMTDIAZCCXDX-WCQYABFASA-N 0 3 308.344 2.066 20 30 DEEDHN COc1cccc([C@@H]2C[C@@H](O)CN2C[C@H](O)CC(C)(C)C#N)c1 ZINC000598619948 359262793 /nfs/dbraw/zinc/26/27/93/359262793.db2.gz QJMWGVLKLSKEFA-INMHGKMJSA-N 0 3 318.417 2.104 20 30 DEEDHN CC(C)[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CCS1 ZINC000599303398 359456758 /nfs/dbraw/zinc/45/67/58/359456758.db2.gz OZALMODZJHTZIH-RDJZCZTQSA-N 0 3 320.458 2.371 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000667612667 540487230 /nfs/dbraw/zinc/48/72/30/540487230.db2.gz DEEAOQGDNDYKPW-CJNGLKHVSA-N 0 3 308.447 2.013 20 30 DEEDHN COc1cc(NC(=O)NC2(CN(C)C)CCC2)c(F)cc1C#N ZINC000599812605 359603111 /nfs/dbraw/zinc/60/31/11/359603111.db2.gz NWXYWNSWRJTENT-UHFFFAOYSA-N 0 3 320.368 2.312 20 30 DEEDHN CC[C@@]1(CO)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000187521855 200122756 /nfs/dbraw/zinc/12/27/56/200122756.db2.gz AEVWVSAJOBXDCQ-GOSISDBHSA-N 0 3 318.417 2.430 20 30 DEEDHN CCC(O)(CC)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600768208 359824126 /nfs/dbraw/zinc/82/41/26/359824126.db2.gz UPHXDMZFMJBPTD-INIZCTEOSA-N 0 3 313.401 2.250 20 30 DEEDHN C=CC[C@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000668493817 540673118 /nfs/dbraw/zinc/67/31/18/540673118.db2.gz RVYVUVSSVUXRMG-INIZCTEOSA-N 0 3 315.465 2.017 20 30 DEEDHN Cc1ccn(C)c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000189364355 200388244 /nfs/dbraw/zinc/38/82/44/200388244.db2.gz ZHMZLOIIDROJND-UHFFFAOYSA-N 0 3 324.428 2.409 20 30 DEEDHN CN(C)CCOc1cc(C(=O)N(C)c2ccc(C#N)cc2)ccn1 ZINC000602275291 360328122 /nfs/dbraw/zinc/32/81/22/360328122.db2.gz HNIXWWBNXBTHRU-UHFFFAOYSA-N 0 3 324.384 2.170 20 30 DEEDHN CC[C@H](C)[C@H](CN1CCN(c2cc(C#N)ccn2)CC1)OC ZINC000602434468 360370786 /nfs/dbraw/zinc/37/07/86/360370786.db2.gz FAWMWCIJGMODIO-HOCLYGCPSA-N 0 3 302.422 2.136 20 30 DEEDHN N#Cc1cccc(CNC[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000602580985 360443121 /nfs/dbraw/zinc/44/31/21/360443121.db2.gz OWQGDACEWBHUMW-MRXNPFEDSA-N 0 3 320.396 2.092 20 30 DEEDHN N#Cc1cccc(CNCCCC(=O)N2CCc3ccccc32)n1 ZINC000602541654 360423732 /nfs/dbraw/zinc/42/37/32/360423732.db2.gz YNCQDPDGOHDYLW-UHFFFAOYSA-N 0 3 320.396 2.412 20 30 DEEDHN N#Cc1cccc(CNCCCC(=O)N2Cc3ccccc3C2)n1 ZINC000602551336 360428580 /nfs/dbraw/zinc/42/85/80/360428580.db2.gz CHUDHFMCMSFNJA-UHFFFAOYSA-N 0 3 320.396 2.365 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nccnc1C)C(C)C ZINC000668683371 540709153 /nfs/dbraw/zinc/70/91/53/540709153.db2.gz VUYLUFAMDIUOSU-OAHLLOKOSA-N 0 3 302.422 2.213 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000602633250 360468418 /nfs/dbraw/zinc/46/84/18/360468418.db2.gz XJZFSAALFIFBBL-WMLDXEAASA-N 0 3 320.408 2.418 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN(C)[C@H](C)CC ZINC000668776262 540727876 /nfs/dbraw/zinc/72/78/76/540727876.db2.gz CUFGWIOSUQDZGX-BZUAXINKSA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@]1(O)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000602982388 360653822 /nfs/dbraw/zinc/65/38/22/360653822.db2.gz RWEQVLSLUDDBNG-KRWDZBQOSA-N 0 3 304.390 2.183 20 30 DEEDHN N#Cc1cc(F)cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000603081266 360692895 /nfs/dbraw/zinc/69/28/95/360692895.db2.gz NUHZLZQQVUJSNI-OAHLLOKOSA-N 0 3 302.353 2.399 20 30 DEEDHN N#Cc1ccc(CCn2cc(CCN3CCCCC3)nn2)cc1 ZINC000603247032 360763770 /nfs/dbraw/zinc/76/37/70/360763770.db2.gz IEPIQGDNTALVEI-UHFFFAOYSA-N 0 3 309.417 2.421 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc[nH]c1=O)C(C)C ZINC000603287924 360778857 /nfs/dbraw/zinc/77/88/57/360778857.db2.gz XVKKVDOBYLTJQY-OAHLLOKOSA-N 0 3 303.406 2.216 20 30 DEEDHN COC(=O)C[C@@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000604305072 360895819 /nfs/dbraw/zinc/89/58/19/360895819.db2.gz RMVFJMYXKYADDB-HNNXBMFYSA-N 0 3 302.374 2.355 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609399057 361309428 /nfs/dbraw/zinc/30/94/28/361309428.db2.gz GCALQLVSSUPBHA-CQSZACIVSA-N 0 3 314.389 2.173 20 30 DEEDHN CN1CCC(N(C(=O)CSCC#N)c2ccccc2)CC1 ZINC000609566758 361319800 /nfs/dbraw/zinc/31/98/00/361319800.db2.gz KZVMDOKXHUGIRJ-UHFFFAOYSA-N 0 3 303.431 2.371 20 30 DEEDHN COCCNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822899 361341136 /nfs/dbraw/zinc/34/11/36/361341136.db2.gz QHXVRYLGGQNSJA-AWEZNQCLSA-N 0 3 315.417 2.094 20 30 DEEDHN COC1CCN(CCNc2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610573659 361425090 /nfs/dbraw/zinc/42/50/90/361425090.db2.gz KEZJVHXCDRHHMA-UHFFFAOYSA-N 0 3 324.428 2.360 20 30 DEEDHN CS(=O)(=O)CC1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611394631 361591000 /nfs/dbraw/zinc/59/10/00/361591000.db2.gz UBCGIVKPFYIRLT-INIZCTEOSA-N 0 3 318.442 2.350 20 30 DEEDHN C[C@H](NC[C@@H](O)COCc1ccco1)c1cccc(C#N)c1 ZINC000611387790 361589088 /nfs/dbraw/zinc/58/90/88/361589088.db2.gz GPQIRYJVCUXWFW-XJKSGUPXSA-N 0 3 300.358 2.380 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CCN1C ZINC000619759396 363872369 /nfs/dbraw/zinc/87/23/69/363872369.db2.gz IFOQRCNCFXLRKE-RISCZKNCSA-N 0 3 320.824 2.494 20 30 DEEDHN COCC#CCN(Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000677817692 541631668 /nfs/dbraw/zinc/63/16/68/541631668.db2.gz PNMKAEIEPGIYNA-UHFFFAOYSA-N 0 3 317.429 2.451 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(C)nc2C(C)(C)C)CC1 ZINC000092243495 193178742 /nfs/dbraw/zinc/17/87/42/193178742.db2.gz ZIMGMDITBYXEQG-UHFFFAOYSA-N 0 3 304.438 2.098 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000678049042 541668707 /nfs/dbraw/zinc/66/87/07/541668707.db2.gz BGYXDWZHYGTLES-WBVHZDCISA-N 0 3 302.418 2.065 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC(F)(F)F)nc1 ZINC000451608771 243195135 /nfs/dbraw/zinc/19/51/35/243195135.db2.gz UDLYGFVIVAGNIO-NEPJUHHUSA-N 0 3 302.296 2.456 20 30 DEEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000678754793 541761613 /nfs/dbraw/zinc/76/16/13/541761613.db2.gz NNXJOLSJSNCHFP-UONOGXRCSA-N 0 3 308.447 2.389 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453454610 245148005 /nfs/dbraw/zinc/14/80/05/245148005.db2.gz QKFLCHXXCOJVBD-HNNXBMFYSA-N 0 3 321.469 2.311 20 30 DEEDHN C=CCOCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000679487207 541862775 /nfs/dbraw/zinc/86/27/75/541862775.db2.gz CVCOLRGVYRYKJY-MRXNPFEDSA-N 0 3 305.422 2.100 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000265966999 205006076 /nfs/dbraw/zinc/00/60/76/205006076.db2.gz SYAQTJVVBTUZSL-UHFFFAOYSA-N 0 3 300.402 2.255 20 30 DEEDHN CC#CCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000266028378 205038976 /nfs/dbraw/zinc/03/89/76/205038976.db2.gz ZNSCMQKRDTXSJR-QGZVFWFLSA-N 0 3 318.417 2.118 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1 ZINC000288348550 220099104 /nfs/dbraw/zinc/09/91/04/220099104.db2.gz TVSDMAJHQKNZBM-CXAGYDPISA-N 0 3 308.385 2.279 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](OC(C)C)C2)CC1 ZINC000458311534 248255943 /nfs/dbraw/zinc/25/59/43/248255943.db2.gz AONOSSPNTFEJIA-IYBDPMFKSA-N 0 3 309.454 2.282 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000458328138 248264261 /nfs/dbraw/zinc/26/42/61/248264261.db2.gz XMMNJQKJAYSEBK-CVEARBPZSA-N 0 3 321.465 2.284 20 30 DEEDHN C#C[C@@H](CC)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000491095658 248899271 /nfs/dbraw/zinc/89/92/71/248899271.db2.gz MGSLVHDBODKQKF-HNNXBMFYSA-N 0 3 314.433 2.362 20 30 DEEDHN CN(C)C/C=C\C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000493163456 249237026 /nfs/dbraw/zinc/23/70/26/249237026.db2.gz KKQIDMFNHQCNQR-XQRVVYSFSA-N 0 3 310.319 2.291 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)[nH]1 ZINC000162293241 291680961 /nfs/dbraw/zinc/68/09/61/291680961.db2.gz JXGQCADJGKQKHZ-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccnc2OC)CC1 ZINC000106252953 194192268 /nfs/dbraw/zinc/19/22/68/194192268.db2.gz MITQARXQGKZYSD-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C(C)C)N(C)C ZINC000110624061 194343828 /nfs/dbraw/zinc/34/38/28/194343828.db2.gz QMXJSTYOEDSPBX-QGZVFWFLSA-N 0 3 317.433 2.119 20 30 DEEDHN Cc1ccc(CCNC[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000555575199 291799197 /nfs/dbraw/zinc/79/91/97/291799197.db2.gz BSXOLUURRFZZKP-HNNXBMFYSA-N 0 3 300.358 2.032 20 30 DEEDHN CN1C[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000538702863 285049847 /nfs/dbraw/zinc/04/98/47/285049847.db2.gz DZFROIXVFBKPGJ-RTBURBONSA-N 0 3 319.408 2.315 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(CNC(C)=O)CC1 ZINC000271133117 208643817 /nfs/dbraw/zinc/64/38/17/208643817.db2.gz LLKGQJNYCGFDEC-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN COCCCOC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156507016 197118972 /nfs/dbraw/zinc/11/89/72/197118972.db2.gz ZPTATAXTQGYVHA-SFHVURJKSA-N 0 3 318.417 2.109 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCS[C@@]1(C)Cc1ccccc1 ZINC001574963796 1069309794 /nfs/dbraw/zinc/30/97/94/1069309794.db2.gz XJKSZBQZJLIRFL-WBVHZDCISA-N 0 3 302.443 2.261 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289721370 221178014 /nfs/dbraw/zinc/17/80/14/221178014.db2.gz CZQXKNNEPCEAJA-JKSUJKDBSA-N 0 3 316.792 2.389 20 30 DEEDHN O[C@@H]1CCC[C@H]1N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000363603211 285319400 /nfs/dbraw/zinc/31/94/00/285319400.db2.gz HRLGSSRJFLWCAD-QZTJIDSGSA-N 0 3 318.848 2.223 20 30 DEEDHN COC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000544411164 285348026 /nfs/dbraw/zinc/34/80/26/285348026.db2.gz SIXXUFXVDIBBOC-RISCZKNCSA-N 0 3 307.394 2.356 20 30 DEEDHN COC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000544411162 285348105 /nfs/dbraw/zinc/34/81/05/285348105.db2.gz SIXXUFXVDIBBOC-BXUZGUMPSA-N 0 3 307.394 2.356 20 30 DEEDHN Cc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000417718014 533598094 /nfs/dbraw/zinc/59/80/94/533598094.db2.gz HBADFSDOOPONKP-UHFFFAOYSA-N 0 3 323.444 2.308 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000685658578 542749305 /nfs/dbraw/zinc/74/93/05/542749305.db2.gz VAGORLYNMLSRQK-MJGOQNOKSA-N 0 3 316.445 2.342 20 30 DEEDHN Cc1onc(CC(=O)Nc2ccc(C)cc2CN(C)C)c1C#N ZINC000353882084 133008716 /nfs/dbraw/zinc/00/87/16/133008716.db2.gz PMASICWTIZIWPY-UHFFFAOYSA-N 0 3 312.373 2.406 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cc1c(F)cccc1C#N ZINC000356268658 133075654 /nfs/dbraw/zinc/07/56/54/133075654.db2.gz DUCBOZMUJZNCLA-HIFRSBDPSA-N 0 3 315.392 2.325 20 30 DEEDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cccc(C#N)c1 ZINC000376520476 133298737 /nfs/dbraw/zinc/29/87/37/133298737.db2.gz KVJHFMYXRVVOPL-SUMWQHHRSA-N 0 3 310.401 2.475 20 30 DEEDHN Cn1cc(C(C)(C)NCCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000547413574 285574523 /nfs/dbraw/zinc/57/45/23/285574523.db2.gz NXIDOFFTVXAGER-UHFFFAOYSA-N 0 3 311.389 2.145 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C ZINC000352593380 404478638 /nfs/dbraw/zinc/47/86/38/404478638.db2.gz QFWLBWXTRYKVSX-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCOC[C@@H]2C2CCC2)cc1 ZINC000564930586 292121973 /nfs/dbraw/zinc/12/19/73/292121973.db2.gz TUHUTMIMJMFQBS-QGZVFWFLSA-N 0 3 313.401 2.388 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)C1 ZINC000346301718 146057421 /nfs/dbraw/zinc/05/74/21/146057421.db2.gz VSIKDSMCCAZSAR-GOSISDBHSA-N 0 3 309.413 2.144 20 30 DEEDHN CC(C)n1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000363003189 147611930 /nfs/dbraw/zinc/61/19/30/147611930.db2.gz GDMPLDWFPFRLCS-UHFFFAOYSA-N 0 3 324.432 2.489 20 30 DEEDHN N#Cc1c(NCCN2C[C@H]3CC[C@@H](C2)O3)cccc1-n1cccn1 ZINC000565667868 292175789 /nfs/dbraw/zinc/17/57/89/292175789.db2.gz PPKBNVBPHXXJDQ-GASCZTMLSA-N 0 3 323.400 2.019 20 30 DEEDHN C[C@@H](CO[C@H]1CCOC1)NC1CC(C#N)(c2ccccc2)C1 ZINC000127610947 401742230 /nfs/dbraw/zinc/74/22/30/401742230.db2.gz RQHWLWPDSFYBLZ-VNCIIQTRSA-N 0 3 300.402 2.394 20 30 DEEDHN N#CCSCCCN1CCC(CC(=O)N2CCCC2)CC1 ZINC000074981699 401746713 /nfs/dbraw/zinc/74/67/13/401746713.db2.gz URMVQCSTLOMPET-UHFFFAOYSA-N 0 3 309.479 2.358 20 30 DEEDHN CC[C@H]([NH+]=C([O-])NC[C@@H]1CCc2nccn2C1)C1CCOCC1 ZINC000329902384 404488399 /nfs/dbraw/zinc/48/83/99/404488399.db2.gz PJSMXZDYDLLLEF-ZFWWWQNUSA-N 0 3 320.437 2.154 20 30 DEEDHN CC[C@H](NC([O-])=[NH+]C[C@@H]1CCc2nccn2C1)C1CCOCC1 ZINC000329902384 404488400 /nfs/dbraw/zinc/48/84/00/404488400.db2.gz PJSMXZDYDLLLEF-ZFWWWQNUSA-N 0 3 320.437 2.154 20 30 DEEDHN C#CCCOc1ccc(CN[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000113333720 401777021 /nfs/dbraw/zinc/77/70/21/401777021.db2.gz ISEZUWKXYYPWEA-INIZCTEOSA-N 0 3 310.401 2.093 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000135175516 401929336 /nfs/dbraw/zinc/92/93/36/401929336.db2.gz WVFVJWDVCCPYSB-HKUYNNGSSA-N 0 3 316.445 2.472 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000134739130 401912676 /nfs/dbraw/zinc/91/26/76/401912676.db2.gz NXWQIFODNXNTBZ-AWEZNQCLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000135014203 401923905 /nfs/dbraw/zinc/92/39/05/401923905.db2.gz WDRPIKNFGUAAEX-INIZCTEOSA-N 0 3 319.449 2.399 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCC1CCOCC1 ZINC000120410838 401989584 /nfs/dbraw/zinc/98/95/84/401989584.db2.gz PQDQVDGONJMFIQ-WMLDXEAASA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1C#N ZINC000151140815 402018689 /nfs/dbraw/zinc/01/86/89/402018689.db2.gz BUTTTXAULGZJKZ-LBRJOISOSA-N 0 3 313.401 2.432 20 30 DEEDHN CN(CC#Cc1ccc(F)cc1)CC(C)(C)CN1CCOCC1 ZINC000123742165 402144123 /nfs/dbraw/zinc/14/41/23/402144123.db2.gz DDBCUTBOPOPBIB-UHFFFAOYSA-N 0 3 318.436 2.467 20 30 DEEDHN CC1CCN(CCNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000103069923 402177822 /nfs/dbraw/zinc/17/78/22/402177822.db2.gz LIOUGQWYXZUYBV-UHFFFAOYSA-N 0 3 317.458 2.498 20 30 DEEDHN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000154713879 402227326 /nfs/dbraw/zinc/22/73/26/402227326.db2.gz YMUAIXKTPZBGLC-UHFFFAOYSA-N 0 3 317.433 2.420 20 30 DEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)cn2)C1 ZINC000107567307 402235245 /nfs/dbraw/zinc/23/52/45/402235245.db2.gz FOOSVBKGGISYNV-ZDUSSCGKSA-N 0 3 300.406 2.194 20 30 DEEDHN C=C(C)COc1cc(CN2CCC(C(N)=O)CC2)ccc1OC ZINC000158644182 402309909 /nfs/dbraw/zinc/30/99/09/402309909.db2.gz BDRKSXIFDAWZRN-UHFFFAOYSA-N 0 3 318.417 2.347 20 30 DEEDHN COC(=O)COc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185833074 402381051 /nfs/dbraw/zinc/38/10/51/402381051.db2.gz VCHSFEVNGAGRFT-HIFRSBDPSA-N 0 3 302.374 2.410 20 30 DEEDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1cccc(C#N)c1 ZINC000186769857 402463438 /nfs/dbraw/zinc/46/34/38/402463438.db2.gz SAVOLFXBAUXOIN-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCCNC2=O)CC1 ZINC000187701972 402508888 /nfs/dbraw/zinc/50/88/88/402508888.db2.gz QAHYHHZLGAWMFK-CQSZACIVSA-N 0 3 312.417 2.499 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189446350 402537594 /nfs/dbraw/zinc/53/75/94/402537594.db2.gz FIJSFBBPVOSUMG-HNNXBMFYSA-N 0 3 301.434 2.144 20 30 DEEDHN N#Cc1ccc2nc(N3CCN(C4CCOCC4)CC3)ccc2c1 ZINC000179933191 402603486 /nfs/dbraw/zinc/60/34/86/402603486.db2.gz HYNRMCJLTYRQIA-UHFFFAOYSA-N 0 3 322.412 2.407 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)cn1 ZINC000248817862 402609462 /nfs/dbraw/zinc/60/94/62/402609462.db2.gz LBQNFMHCNWYWJD-RDTXWAMCSA-N 0 3 320.396 2.204 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCN(C)c2ccccc2)CC1 ZINC000171705544 402612694 /nfs/dbraw/zinc/61/26/94/402612694.db2.gz SGBDWFUMRDIPAH-UHFFFAOYSA-N 0 3 316.449 2.072 20 30 DEEDHN CCOc1cccc([C@@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000180714234 402623955 /nfs/dbraw/zinc/62/39/55/402623955.db2.gz QMRCWWVWYRSGTF-CQSZACIVSA-N 0 3 303.406 2.498 20 30 DEEDHN Cc1ccsc1[C@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180880253 402629275 /nfs/dbraw/zinc/62/92/75/402629275.db2.gz HVIZAULYWMGTAW-YLCNQMKUSA-N 0 3 305.403 2.234 20 30 DEEDHN C=C(C)CN(C)C[C@@H](O)COc1cccc(C(=O)OCC)c1 ZINC000181273536 402639879 /nfs/dbraw/zinc/63/98/79/402639879.db2.gz FKORUPRBDPOSMJ-OAHLLOKOSA-N 0 3 307.390 2.111 20 30 DEEDHN CC(C)OCCOC[C@H](O)CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000250204545 402645649 /nfs/dbraw/zinc/64/56/49/402645649.db2.gz GZSLXWMZSCTUPM-CRAIPNDOSA-N 0 3 320.433 2.354 20 30 DEEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(OC)cc1 ZINC000181837401 402658314 /nfs/dbraw/zinc/65/83/14/402658314.db2.gz TUWMEFYUPVRRTC-MRXNPFEDSA-N 0 3 303.406 2.498 20 30 DEEDHN C[C@](C#N)(NC(=O)CN[C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000181552641 402649630 /nfs/dbraw/zinc/64/96/30/402649630.db2.gz LUHAFAXSIHGYAB-IEBWSBKVSA-N 0 3 311.429 2.406 20 30 DEEDHN C#CCCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000174118958 402727636 /nfs/dbraw/zinc/72/76/36/402727636.db2.gz VQCYBFJJXBRMHA-UHFFFAOYSA-N 0 3 313.445 2.406 20 30 DEEDHN C=CCCS(=O)(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183023855 402733730 /nfs/dbraw/zinc/73/37/30/402733730.db2.gz XDMXZOBSYVZDDM-ZIAGYGMSSA-N 0 3 300.468 2.135 20 30 DEEDHN CC[C@H](CC#N)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000183911149 402804820 /nfs/dbraw/zinc/80/48/20/402804820.db2.gz ZBTMGZKFHSGBHE-MRXNPFEDSA-N 0 3 314.433 2.007 20 30 DEEDHN CS(=O)(=O)Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000195017611 402826932 /nfs/dbraw/zinc/82/69/32/402826932.db2.gz HDMTYCNWOYWKGE-UHFFFAOYSA-N 0 3 314.410 2.393 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000176040268 402849776 /nfs/dbraw/zinc/84/97/76/402849776.db2.gz GRYKEKUAVFSKEY-AWEZNQCLSA-N 0 3 303.431 2.468 20 30 DEEDHN C[C@H](Cn1cccn1)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272160708 402904602 /nfs/dbraw/zinc/90/46/02/402904602.db2.gz NRCODCMQBHYXHM-CQSZACIVSA-N 0 3 320.400 2.334 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H]1COC2(CCCC2)O1 ZINC000271447232 402871587 /nfs/dbraw/zinc/87/15/87/402871587.db2.gz RFNYOGIBFWOWBC-INIZCTEOSA-N 0 3 301.386 2.474 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccncc2)CC1 ZINC000264396608 402874924 /nfs/dbraw/zinc/87/49/24/402874924.db2.gz YEIOAFMCDDWQIO-UHFFFAOYSA-N 0 3 302.422 2.264 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2cccc(OC)c2)CC1 ZINC000264470052 402881785 /nfs/dbraw/zinc/88/17/85/402881785.db2.gz INBSSMNNULRWBN-BQYQJAHWSA-N 0 3 300.402 2.475 20 30 DEEDHN CC(C)N1C[C@H](N[C@H](C)c2ccc(OCC#N)cc2)CC1=O ZINC000271901732 402885379 /nfs/dbraw/zinc/88/53/79/402885379.db2.gz VSTIPURCXTUHHO-UKRRQHHQSA-N 0 3 301.390 2.249 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@H]2CCC[C@@H]2CCO)c(C#N)c1C ZINC000279398180 402938646 /nfs/dbraw/zinc/93/86/46/402938646.db2.gz ZKMKVVXCOITGRA-TZMCWYRMSA-N 0 3 321.446 2.316 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272511038 402946462 /nfs/dbraw/zinc/94/64/62/402946462.db2.gz WWIDEJRVKHWLLF-HIFRSBDPSA-N 0 3 314.389 2.125 20 30 DEEDHN C[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000272577128 402955214 /nfs/dbraw/zinc/95/52/14/402955214.db2.gz PCZWDHWOTBLEGL-UKPHBRMFSA-N 0 3 313.401 2.211 20 30 DEEDHN N#CCCCCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000272952477 402962192 /nfs/dbraw/zinc/96/21/92/402962192.db2.gz DTBPICUFVMXXKU-CYBMUJFWSA-N 0 3 313.323 2.385 20 30 DEEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1C#N ZINC000265934524 402963207 /nfs/dbraw/zinc/96/32/07/402963207.db2.gz DVWXLAMRDJFQQH-YUDUHTQSSA-N 0 3 313.401 2.288 20 30 DEEDHN N#CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000273037671 402964899 /nfs/dbraw/zinc/96/48/99/402964899.db2.gz DEVXCZZRQKSQPY-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN COC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000272246796 402913964 /nfs/dbraw/zinc/91/39/64/402913964.db2.gz ULMIDWCYVUPUCT-SJORKVTESA-N 0 3 315.417 2.314 20 30 DEEDHN C=CCCS(=O)(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272400653 402932321 /nfs/dbraw/zinc/93/23/21/402932321.db2.gz KELCDYKEWXTLKF-NVXWUHKLSA-N 0 3 322.474 2.393 20 30 DEEDHN C=CCNC(=O)CN(CCN(CC)CC)Cc1ccccc1 ZINC000266915757 402999768 /nfs/dbraw/zinc/99/97/68/402999768.db2.gz KOZPEJOTNKJALP-UHFFFAOYSA-N 0 3 303.450 2.133 20 30 DEEDHN C[C@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280719485 403030198 /nfs/dbraw/zinc/03/01/98/403030198.db2.gz YAKCLSLITKGLRH-AEFFLSMTSA-N 0 3 311.385 2.004 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000280640945 403022198 /nfs/dbraw/zinc/02/21/98/403022198.db2.gz NFNIULIRBYPKQR-UHFFFAOYSA-N 0 3 319.405 2.079 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(CC)CCCO)C(C)C ZINC000266655354 402981727 /nfs/dbraw/zinc/98/17/27/402981727.db2.gz IFIUFQUZMACJSS-MRXNPFEDSA-N 0 3 311.470 2.099 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1OCC#N ZINC000273224345 402984719 /nfs/dbraw/zinc/98/47/19/402984719.db2.gz DUOUGXGFPFTYAP-CQSZACIVSA-N 0 3 315.417 2.391 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cncnc1)C(C)C ZINC000274306060 403043496 /nfs/dbraw/zinc/04/34/96/403043496.db2.gz CPNXLYVBVWJMPG-HNNXBMFYSA-N 0 3 303.410 2.297 20 30 DEEDHN Cc1ccc(NC(=O)N2CC(C)(C#N)C2)c(OCCN(C)C)c1 ZINC000280940453 403052270 /nfs/dbraw/zinc/05/22/70/403052270.db2.gz IJVITZBFALZISG-UHFFFAOYSA-N 0 3 316.405 2.313 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000274420580 403054226 /nfs/dbraw/zinc/05/42/26/403054226.db2.gz DFZHZIMKISSVEU-MRXNPFEDSA-N 0 3 315.417 2.120 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCOCc2ccccc2)C1=O ZINC000281276150 403062397 /nfs/dbraw/zinc/06/23/97/403062397.db2.gz IJYQHLBTLZESGH-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCCCn2cc(C)cn2)C1=O ZINC000281424174 403067783 /nfs/dbraw/zinc/06/77/83/403067783.db2.gz RXOBWKZLMWXBQX-MRXNPFEDSA-N 0 3 304.438 2.081 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncnc2[nH]ccc21 ZINC000268349634 403075961 /nfs/dbraw/zinc/07/59/61/403075961.db2.gz UPKHXZIPBZUXQS-UHFFFAOYSA-N 0 3 320.400 2.398 20 30 DEEDHN C=CCN1CC[C@@H](N(CCCc2ccccc2)CCOC)C1=O ZINC000281895588 403101900 /nfs/dbraw/zinc/10/19/00/403101900.db2.gz FDNRTOFBFQOSIY-GOSISDBHSA-N 0 3 316.445 2.355 20 30 DEEDHN CC(=O)NCC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000268659057 403103909 /nfs/dbraw/zinc/10/39/09/403103909.db2.gz HXTMQIQPJMVBSN-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@H](CO)C2CC2)C1=O ZINC000281914509 403104137 /nfs/dbraw/zinc/10/41/37/403104137.db2.gz GTQWIGSOBATYDZ-ZWKOTPCHSA-N 0 3 314.429 2.046 20 30 DEEDHN C#CCCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000268701133 403107747 /nfs/dbraw/zinc/10/77/47/403107747.db2.gz KEZVOEYJXJJOJN-MRXNPFEDSA-N 0 3 320.458 2.009 20 30 DEEDHN C=CCN1CC[C@H](N(C)[C@H]2CCCN(c3ccccc3)C2)C1=O ZINC000282058016 403118184 /nfs/dbraw/zinc/11/81/84/403118184.db2.gz RZSBEABSSFJSRX-ROUUACIJSA-N 0 3 313.445 2.374 20 30 DEEDHN C#CCNC(=O)CCN[C@H](CC)c1ccccc1OC(F)F ZINC000268824990 403118217 /nfs/dbraw/zinc/11/82/17/403118217.db2.gz QREAHLMFXHSCNE-CYBMUJFWSA-N 0 3 310.344 2.468 20 30 DEEDHN Cc1cc(N2CCC(NCc3ccc(C#N)cc3F)CC2)n[nH]1 ZINC000276086856 403144822 /nfs/dbraw/zinc/14/48/22/403144822.db2.gz VBFZFTWQCSDKDP-UHFFFAOYSA-N 0 3 313.380 2.488 20 30 DEEDHN CS[C@H]1CCCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000269626567 403151286 /nfs/dbraw/zinc/15/12/86/403151286.db2.gz GDSNJXHHHBLFFR-INIZCTEOSA-N 0 3 317.458 2.392 20 30 DEEDHN COc1cc(CN2CCC(CCC(N)=O)CC2)ccc1C#N ZINC000282421801 403152204 /nfs/dbraw/zinc/15/22/04/403152204.db2.gz SSPYKZAWMAEFGG-UHFFFAOYSA-N 0 3 301.390 2.044 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)NC2(CCC2)C1=O)C(C)C ZINC000277532795 403227757 /nfs/dbraw/zinc/22/77/57/403227757.db2.gz YPPROYLIIBCXEJ-AWEZNQCLSA-N 0 3 305.422 2.160 20 30 DEEDHN C#CC[C@H](NC(=O)NCCCN(C)CCOC)c1ccccc1 ZINC000270434050 403191238 /nfs/dbraw/zinc/19/12/38/403191238.db2.gz PSWDGSNAJSSRTO-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CCCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000270472438 403193543 /nfs/dbraw/zinc/19/35/43/403193543.db2.gz VOIKFRUBYIUZFS-KRWDZBQOSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000270484548 403194993 /nfs/dbraw/zinc/19/49/93/403194993.db2.gz WWFQCRAKIPRLHD-INIZCTEOSA-N 0 3 319.449 2.399 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(OC)c(Cl)c2)CC1 ZINC000284383019 403267120 /nfs/dbraw/zinc/26/71/20/403267120.db2.gz VFNWTRBQWIYJRN-UHFFFAOYSA-N 0 3 309.797 2.124 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCOC[C@H](C2CCC2)C1 ZINC000292133440 403302420 /nfs/dbraw/zinc/30/24/20/403302420.db2.gz LOMUNOFSPKWJFD-DOTOQJQBSA-N 0 3 306.450 2.324 20 30 DEEDHN CC#CCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000298059726 403312664 /nfs/dbraw/zinc/31/26/64/403312664.db2.gz GEQWRHLNTCNWGZ-UHFFFAOYSA-N 0 3 301.415 2.392 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](NCc1ccc(OCC#N)cc1)C(N)=O ZINC000292242832 403331936 /nfs/dbraw/zinc/33/19/36/403331936.db2.gz QIMAIWKBYAKSFO-KDOFPFPSSA-N 0 3 323.396 2.336 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293133340 403397089 /nfs/dbraw/zinc/39/70/89/403397089.db2.gz JERZONDKMLAEMQ-GUYCJALGSA-N 0 3 314.433 2.036 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)[C@@H]2C1 ZINC000285902532 403407272 /nfs/dbraw/zinc/40/72/72/403407272.db2.gz VEQZISHERPWPSM-SWLSCSKDSA-N 0 3 303.793 2.378 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)C2(C#N)CCCCC2)ccn1 ZINC000343040602 403440267 /nfs/dbraw/zinc/44/02/67/403440267.db2.gz ORDPGOGEHWFPLX-UHFFFAOYSA-N 0 3 316.405 2.435 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000345757871 403471248 /nfs/dbraw/zinc/47/12/48/403471248.db2.gz 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/nfs/dbraw/zinc/75/44/38/403754438.db2.gz DYIWBARUUZAMKS-UHFFFAOYSA-N 0 3 312.417 2.418 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000343843692 403755615 /nfs/dbraw/zinc/75/56/15/403755615.db2.gz SASRIYAKSVHZBT-JKSUJKDBSA-N 0 3 311.470 2.483 20 30 DEEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccncn1 ZINC000354462294 403813556 /nfs/dbraw/zinc/81/35/56/403813556.db2.gz HIKJUPNMECAEHZ-JTQLQIEISA-N 0 3 322.246 2.303 20 30 DEEDHN N#CC(C(=O)c1cccc(N2CCCC2=O)c1)c1ccncn1 ZINC000354462290 403813600 /nfs/dbraw/zinc/81/36/00/403813600.db2.gz HIDZVJLZZQNJPV-AWEZNQCLSA-N 0 3 306.325 2.093 20 30 DEEDHN N#CC(C(=O)c1ccnc(OCC(F)F)c1)c1ccncn1 ZINC000354475699 403826720 /nfs/dbraw/zinc/82/67/20/403826720.db2.gz YDXKWHIHLCHSQN-JTQLQIEISA-N 0 3 304.256 2.006 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000295151948 403775498 /nfs/dbraw/zinc/77/54/98/403775498.db2.gz PQGFKAJFOBUYJF-JZXOWHBKSA-N 0 3 314.429 2.194 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCOC(C)C)CC1 ZINC000354489998 403837170 /nfs/dbraw/zinc/83/71/70/403837170.db2.gz LUOHPAJMCMRNAJ-UHFFFAOYSA-N 0 3 311.470 2.483 20 30 DEEDHN CC(C)(CN1CCCC1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000308704295 403960272 /nfs/dbraw/zinc/96/02/72/403960272.db2.gz JQEBQXKKIBRBOY-UHFFFAOYSA-N 0 3 307.344 2.441 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](CO)C[C@@H]1C ZINC000344118602 403921234 /nfs/dbraw/zinc/92/12/34/403921234.db2.gz CHJNDEDGESGHGH-LZLYRXPVSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccnn2C(C)(C)C)CC1 ZINC000362111734 403925755 /nfs/dbraw/zinc/92/57/55/403925755.db2.gz MRWWEQMDPQDAIS-UHFFFAOYSA-N 0 3 305.426 2.410 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000305742983 403926053 /nfs/dbraw/zinc/92/60/53/403926053.db2.gz SYKUOTNRIGUOQW-RTBURBONSA-N 0 3 308.381 2.015 20 30 DEEDHN C#CCOCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000362132985 403927958 /nfs/dbraw/zinc/92/79/58/403927958.db2.gz WSIPZGSSHGJHHW-SJLPKXTDSA-N 0 3 312.413 2.169 20 30 DEEDHN CCCC(N)=NOC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000289405499 403947348 /nfs/dbraw/zinc/94/73/48/403947348.db2.gz ORPAJPLCIWWKFQ-MRXNPFEDSA-N 0 3 305.422 2.366 20 30 DEEDHN CCCN(CCN1CCCC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411716453 403947996 /nfs/dbraw/zinc/94/79/96/403947996.db2.gz FZYDXBYABYBTHB-WMZOPIPTSA-N 0 3 322.497 2.237 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337383094 403986587 /nfs/dbraw/zinc/98/65/87/403986587.db2.gz DUKRFNLETCTPQZ-JMSVASOKSA-N 0 3 317.380 2.181 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(C2OCCO2)s1 ZINC000289873525 404005819 /nfs/dbraw/zinc/00/58/19/404005819.db2.gz WIFIMPBMSYBODS-FZMZJTMJSA-N 0 3 310.419 2.259 20 30 DEEDHN CC(C)(CNC(=O)CNc1ccc(C#N)cc1)N1CCCCC1 ZINC000337416756 404008554 /nfs/dbraw/zinc/00/85/54/404008554.db2.gz RTCLPTBLKWPQEU-UHFFFAOYSA-N 0 3 314.433 2.351 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCCN1C ZINC000344282121 404028661 /nfs/dbraw/zinc/02/86/61/404028661.db2.gz IKHYRYJDLRWUJH-CJNGLKHVSA-N 0 3 300.406 2.182 20 30 DEEDHN Cc1nn(C)c(N2CCN(C[C@@H](C)CC(C)C)CC2)c1C#N ZINC000337183400 403970552 /nfs/dbraw/zinc/97/05/52/403970552.db2.gz BUIVOFGGTVTGFI-AWEZNQCLSA-N 0 3 303.454 2.404 20 30 DEEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@H]2OC(F)F)CCCCC1 ZINC000348522790 404077137 /nfs/dbraw/zinc/07/71/37/404077137.db2.gz ZRUHDCRNDCBVTL-VXGBXAGGSA-N 0 3 315.364 2.079 20 30 DEEDHN CN(CCN(C)C1CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000351962516 404038301 /nfs/dbraw/zinc/03/83/01/404038301.db2.gz YJZCWOWGPYUIQV-UHFFFAOYSA-N 0 3 311.389 2.134 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CN(C)C1CC1 ZINC000290096986 404039118 /nfs/dbraw/zinc/03/91/18/404039118.db2.gz WISTXTWGMFPGEZ-KRWDZBQOSA-N 0 3 304.434 2.138 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@H](C(C)C)C1=O)C(C)C ZINC000348145171 404044542 /nfs/dbraw/zinc/04/45/42/404044542.db2.gz OPHIVCHFRVOWRF-LSDHHAIUSA-N 0 3 307.438 2.261 20 30 DEEDHN C=CC1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000348377996 404063998 /nfs/dbraw/zinc/06/39/98/404063998.db2.gz NLVLLXBYVJVHJA-UHFFFAOYSA-N 0 3 323.481 2.483 20 30 DEEDHN CCN1C[C@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000348423578 404067812 /nfs/dbraw/zinc/06/78/12/404067812.db2.gz PMUNIVAORIEVBQ-RLFYNMQTSA-N 0 3 324.428 2.182 20 30 DEEDHN N#CCCCOc1cccc(CNC2(CO)CCOCC2)c1 ZINC000344347300 404072827 /nfs/dbraw/zinc/07/28/27/404072827.db2.gz SYLJTMGRXMZAFC-UHFFFAOYSA-N 0 3 304.390 2.000 20 30 DEEDHN COCCOCCN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290288330 404111159 /nfs/dbraw/zinc/11/11/59/404111159.db2.gz ZVSXOZBNEKGAIL-UHFFFAOYSA-N 0 3 305.422 2.131 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000344447852 404143514 /nfs/dbraw/zinc/14/35/14/404143514.db2.gz VCHYAMTUQIJCMX-CVEARBPZSA-N 0 3 307.482 2.073 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000296227128 404152823 /nfs/dbraw/zinc/15/28/23/404152823.db2.gz MYJNMKRCUQHUQB-HOTGVXAUSA-N 0 3 313.401 2.434 20 30 DEEDHN N#C[C@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412145602 404157301 /nfs/dbraw/zinc/15/73/01/404157301.db2.gz NOSBDYGLHOJVOC-KRWDZBQOSA-N 0 3 313.401 2.037 20 30 DEEDHN Cc1ncsc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000296295969 404183990 /nfs/dbraw/zinc/18/39/90/404183990.db2.gz ZOPBECKMUNZZNH-OAHLLOKOSA-N 0 3 324.409 2.364 20 30 DEEDHN C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CN1C1CC1 ZINC000290524062 404205517 /nfs/dbraw/zinc/20/55/17/404205517.db2.gz CSKSWPDJIGWKFE-CABZTGNLSA-N 0 3 301.350 2.086 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329106251 404233067 /nfs/dbraw/zinc/23/30/67/404233067.db2.gz DIYLPJBOMWYKOD-AWEZNQCLSA-N 0 3 305.426 2.143 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000352236898 404236591 /nfs/dbraw/zinc/23/65/91/404236591.db2.gz GCPZKPUARDSTTN-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN(CC=C)[C@H](CNCc1nccnc1OC)C(C)C ZINC000296409907 404236700 /nfs/dbraw/zinc/23/67/00/404236700.db2.gz LYHAUXIWCHCARH-MRXNPFEDSA-N 0 3 304.438 2.273 20 30 DEEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@H](CO)C(C)C)cc1 ZINC000355149548 404246998 /nfs/dbraw/zinc/24/69/98/404246998.db2.gz XOZSXHPHNPTPDS-CZUORRHYSA-N 0 3 304.390 2.200 20 30 DEEDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1F ZINC000341907636 404248134 /nfs/dbraw/zinc/24/81/34/404248134.db2.gz YHVJNZRUEAGVEE-WCQYABFASA-N 0 3 310.394 2.173 20 30 DEEDHN O=C(N[C@H](CO)CN1CCCCC1)[C@H]1CCCN1C1CCCC1 ZINC000329175486 404255008 /nfs/dbraw/zinc/25/50/08/404255008.db2.gz MBIOFKBWWHBVME-DOTOQJQBSA-N 0 3 323.481 2.197 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cccc(C)c1C#N ZINC000341934643 404264115 /nfs/dbraw/zinc/26/41/15/404264115.db2.gz FITPUVZMUOVVLQ-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN CN1CC=C(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000329222246 404268811 /nfs/dbraw/zinc/26/88/11/404268811.db2.gz WBRBMXJUHLTWNW-OAHLLOKOSA-N 0 3 321.465 2.490 20 30 DEEDHN COc1cnc(NC(=O)N2CC[C@H](N3CCCCC3)C2)s1 ZINC000329234368 404274789 /nfs/dbraw/zinc/27/47/89/404274789.db2.gz HRTHOONGROWJJC-NSHDSACASA-N 0 3 310.423 2.257 20 30 DEEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1C ZINC000344634744 404276005 /nfs/dbraw/zinc/27/60/05/404276005.db2.gz MKDISJSFRQBIEN-LLVKDONJSA-N 0 3 322.324 2.178 20 30 DEEDHN CC(C)(C)c1cnc(CNC(=O)N[C@H]2CCN(C3CC3)C2)o1 ZINC000329278898 404287157 /nfs/dbraw/zinc/28/71/57/404287157.db2.gz LKIQYDRCVWXANP-NSHDSACASA-N 0 3 306.410 2.212 20 30 DEEDHN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC2(CCOCC2)[C@H]1C ZINC000329423491 404332772 /nfs/dbraw/zinc/33/27/72/404332772.db2.gz IEHIOTMAKNCTNA-KFWWJZLASA-N 0 3 310.438 2.401 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N1CCC(C)CC1 ZINC000329450218 404340410 /nfs/dbraw/zinc/34/04/10/404340410.db2.gz OTZLJLGOHIXSQQ-RBSFLKMASA-N 0 3 322.453 2.072 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000338234014 404353560 /nfs/dbraw/zinc/35/35/60/404353560.db2.gz SVUGJEZAJOINCT-JONQDZQNSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000344760155 404354070 /nfs/dbraw/zinc/35/40/70/404354070.db2.gz OFAFVAUMOABMED-HOCLYGCPSA-N 0 3 320.458 2.369 20 30 DEEDHN CC(C#N)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000352419056 404357272 /nfs/dbraw/zinc/35/72/72/404357272.db2.gz KYMFVQIDVMSFRC-DOMZBBRYSA-N 0 3 316.792 2.209 20 30 DEEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@H](C2CC2)C1 ZINC000329309321 404297872 /nfs/dbraw/zinc/29/78/72/404297872.db2.gz BWVNXFBHLZGJHX-ZFWWWQNUSA-N 0 3 302.422 2.482 20 30 DEEDHN C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN(C)C1CC1 ZINC000290796271 404315610 /nfs/dbraw/zinc/31/56/10/404315610.db2.gz PAYCBDJQGLXVMY-HNNXBMFYSA-N 0 3 306.362 2.157 20 30 DEEDHN CC#CCCCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000355311498 404323618 /nfs/dbraw/zinc/32/36/18/404323618.db2.gz MFSNGNROHNEGIV-KRWDZBQOSA-N 0 3 300.402 2.385 20 30 DEEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCCc2occc21 ZINC000329708076 404428511 /nfs/dbraw/zinc/42/85/11/404428511.db2.gz KWZCAMQLHRYDOQ-ZYHUDNBSSA-N 0 3 300.362 2.441 20 30 DEEDHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@@H]1CCCc2occc21 ZINC000329708076 404428522 /nfs/dbraw/zinc/42/85/22/404428522.db2.gz KWZCAMQLHRYDOQ-ZYHUDNBSSA-N 0 3 300.362 2.441 20 30 DEEDHN C[C@H](O)C[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350643351 404431955 /nfs/dbraw/zinc/43/19/55/404431955.db2.gz WLRQATUCJMDQTA-IAOVAPTHSA-N 0 3 311.385 2.002 20 30 DEEDHN CC(C)[C@@H](NCCCC1(C#N)CCOCC1)c1nncn1C ZINC000352463845 404389329 /nfs/dbraw/zinc/38/93/29/404389329.db2.gz LFDUDVKAEDVEQY-CQSZACIVSA-N 0 3 305.426 2.202 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000350453478 404391939 /nfs/dbraw/zinc/39/19/39/404391939.db2.gz FXPCRYURNBIMSA-QZTJIDSGSA-N 0 3 319.364 2.090 20 30 DEEDHN CCC[C@]1(CO)CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000329614600 404394994 /nfs/dbraw/zinc/39/49/94/404394994.db2.gz PFSWYFAEYTYAPO-KRWDZBQOSA-N 0 3 309.454 2.012 20 30 DEEDHN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329662267 404412936 /nfs/dbraw/zinc/41/29/36/404412936.db2.gz PGYOPTLMWBZFCH-DHMWGJHJSA-N 0 3 317.389 2.280 20 30 DEEDHN O=C(CN1CCCCCC1=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329933269 404499320 /nfs/dbraw/zinc/49/93/20/404499320.db2.gz BKUUJWJUGBPJRW-HNNXBMFYSA-N 0 3 307.438 2.362 20 30 DEEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000329939425 404500546 /nfs/dbraw/zinc/50/05/46/404500546.db2.gz FRLRDNCTZCQULA-SOUVJXGZSA-N 0 3 302.422 2.482 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000329945502 404502132 /nfs/dbraw/zinc/50/21/32/404502132.db2.gz JBYYZHUKIGFONX-DOMZBBRYSA-N 0 3 302.422 2.488 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000414126756 404521400 /nfs/dbraw/zinc/52/14/00/404521400.db2.gz PCTQBRRBDAQRGD-ZWKOTPCHSA-N 0 3 313.445 2.420 20 30 DEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)C(C)(C)C#N ZINC000413956186 404456734 /nfs/dbraw/zinc/45/67/34/404456734.db2.gz MKMFHFHCVAWVGI-UHFFFAOYSA-N 0 3 305.378 2.124 20 30 DEEDHN C=CCNC(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000351476808 404592390 /nfs/dbraw/zinc/59/23/90/404592390.db2.gz NFLHUCBDPOBGST-INIZCTEOSA-N 0 3 305.422 2.181 20 30 DEEDHN Cc1nnsc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000291822597 404537548 /nfs/dbraw/zinc/53/75/48/404537548.db2.gz ZGCZTEQVQJXYHC-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCn3ccnc3C2)on1 ZINC000330176692 404574349 /nfs/dbraw/zinc/57/43/49/404574349.db2.gz CLROYPAMRWNWEQ-STQMWFEESA-N 0 3 315.377 2.245 20 30 DEEDHN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000330183287 404575946 /nfs/dbraw/zinc/57/59/46/404575946.db2.gz PTYZMDQFAWNQFG-DLBZAZTESA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000297646082 404576764 /nfs/dbraw/zinc/57/67/64/404576764.db2.gz ZJVHLGHHXYQACC-UHFFFAOYSA-N 0 3 317.408 2.455 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(CCC)CCOC2)CC1 ZINC000352827030 404650703 /nfs/dbraw/zinc/65/07/03/404650703.db2.gz LWLTYIUJVCGONY-KRWDZBQOSA-N 0 3 309.454 2.285 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000373871201 404622926 /nfs/dbraw/zinc/62/29/26/404622926.db2.gz YLKVWSLTZNBSMI-PIIMJCKOSA-N 0 3 321.380 2.320 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CSC[C@H]2C)c(C#N)c1C ZINC000352797812 404629198 /nfs/dbraw/zinc/62/91/98/404629198.db2.gz CLCUXBKMQHLOAQ-DVYJOKAKSA-N 0 3 307.419 2.436 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000352804612 404634535 /nfs/dbraw/zinc/63/45/35/404634535.db2.gz MCDLNURKQKYTKL-YOEHRIQHSA-N 0 3 300.402 2.418 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC(c3ncc[nH]3)CC2)c1 ZINC000342609940 404677823 /nfs/dbraw/zinc/67/78/23/404677823.db2.gz WRQQQPWLGQUZDG-UHFFFAOYSA-N 0 3 323.400 2.490 20 30 DEEDHN CC#CCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000352966591 404706293 /nfs/dbraw/zinc/70/62/93/404706293.db2.gz TYSAYKKUHXQKJT-UHFFFAOYSA-N 0 3 314.433 2.363 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2F)CC1 ZINC000357831408 404745260 /nfs/dbraw/zinc/74/52/60/404745260.db2.gz 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/nfs/dbraw/zinc/77/81/18/404778118.db2.gz UHDSBAVXZVCBJT-WBMJQRKESA-N 0 3 303.381 2.038 20 30 DEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415047568 404795680 /nfs/dbraw/zinc/79/56/80/404795680.db2.gz BGHOBZIGELDIQX-FZMZJTMJSA-N 0 3 302.378 2.101 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CCO)c1ccccc1Br ZINC000359607013 404798390 /nfs/dbraw/zinc/79/83/90/404798390.db2.gz BYRAENAZQNBMBJ-JOYOIKCWSA-N 0 3 311.179 2.148 20 30 DEEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000359942121 404810056 /nfs/dbraw/zinc/81/00/56/404810056.db2.gz VBISUTOJEMQKFV-GFCCVEGCSA-N 0 3 300.249 2.375 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360623191 404832372 /nfs/dbraw/zinc/83/23/72/404832372.db2.gz VSXBATKONOEVJB-CQSZACIVSA-N 0 3 307.438 2.291 20 30 DEEDHN CNC(=O)c1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000353223865 404774529 /nfs/dbraw/zinc/77/45/29/404774529.db2.gz JEHNBXPKSMTFKE-UHFFFAOYSA-N 0 3 309.369 2.216 20 30 DEEDHN CN1CCC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416676111 404875967 /nfs/dbraw/zinc/87/59/67/404875967.db2.gz BXMMXXXCEVZLCR-KRWDZBQOSA-N 0 3 312.417 2.329 20 30 DEEDHN CN(CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000416680045 404877862 /nfs/dbraw/zinc/87/78/62/404877862.db2.gz GVEZYHMNIZGEHR-KRWDZBQOSA-N 0 3 312.417 2.329 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000378065952 404860271 /nfs/dbraw/zinc/86/02/71/404860271.db2.gz CCIWMSDGAZOYDL-HOTGVXAUSA-N 0 3 321.465 2.236 20 30 DEEDHN COC[C@]1(CN[C@H]2CC[C@@H](C#N)C2)OCCc2ccccc21 ZINC000353581531 404871186 /nfs/dbraw/zinc/87/11/86/404871186.db2.gz ZSXKDWUKXHYXCU-HFTRVMKXSA-N 0 3 300.402 2.383 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(N)c2)CC1 ZINC000415847435 404954820 /nfs/dbraw/zinc/95/48/20/404954820.db2.gz WZQHLYSJYHBVHA-UHFFFAOYSA-N 0 3 318.421 2.439 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000367198838 404962077 /nfs/dbraw/zinc/96/20/77/404962077.db2.gz GNPJROZETQRINF-QGZVFWFLSA-N 0 3 322.474 2.394 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccnn2CC(F)F)nc(C)n1 ZINC000434624277 404916956 /nfs/dbraw/zinc/91/69/56/404916956.db2.gz GJBMEVDOSUOJHP-SNVBAGLBSA-N 0 3 305.288 2.045 20 30 DEEDHN N#CC(C(=O)c1cnnn1-c1cccc(F)c1)c1ccccn1 ZINC000434631044 404917047 /nfs/dbraw/zinc/91/70/47/404917047.db2.gz VIDHEOLSABQOLU-ZDUSSCGKSA-N 0 3 307.288 2.291 20 30 DEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435019403 404950959 /nfs/dbraw/zinc/95/09/59/404950959.db2.gz JOEBCTWCDSSKTF-RHSMWYFYSA-N 0 3 309.413 2.285 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000424099001 405006022 /nfs/dbraw/zinc/00/60/22/405006022.db2.gz FCBGCPVOECJEIR-KGLIPLIRSA-N 0 3 305.353 2.177 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000424099890 405006108 /nfs/dbraw/zinc/00/61/08/405006108.db2.gz NAPZOAQFWBBOCB-OAHLLOKOSA-N 0 3 307.344 2.477 20 30 DEEDHN CCCOCc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424101336 405006312 /nfs/dbraw/zinc/00/63/12/405006312.db2.gz YNGJPPBFUCVNCY-INIZCTEOSA-N 0 3 303.406 2.251 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000424112322 405009786 /nfs/dbraw/zinc/00/97/86/405009786.db2.gz JHVNDSSSNDHTEJ-CYBMUJFWSA-N 0 3 317.780 2.485 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000424121039 405014066 /nfs/dbraw/zinc/01/40/66/405014066.db2.gz HWHRNLCVKGMOFD-MRXNPFEDSA-N 0 3 303.381 2.380 20 30 DEEDHN CCCOc1cc(C)ccc1CNC(=O)[C@H](N)CCCC#N ZINC000424126515 405015189 /nfs/dbraw/zinc/01/51/89/405015189.db2.gz PDWKKDHUXZZCSH-OAHLLOKOSA-N 0 3 303.406 2.421 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCSC[C@@H]2C2CC2)cc1 ZINC000451652427 405015819 /nfs/dbraw/zinc/01/58/19/405015819.db2.gz YXEUQYZUMFVTRG-NVXWUHKLSA-N 0 3 318.442 2.125 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000424129992 405017018 /nfs/dbraw/zinc/01/70/18/405017018.db2.gz DUVORUMPKNOXNH-UONOGXRCSA-N 0 3 320.462 2.022 20 30 DEEDHN COc1ccccc1C[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424131123 405017311 /nfs/dbraw/zinc/01/73/11/405017311.db2.gz 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/nfs/dbraw/zinc/02/71/83/405027183.db2.gz VLSSIJDIENDGBZ-UONOGXRCSA-N 0 3 320.462 2.487 20 30 DEEDHN CCOc1cc(Cl)ccc1CNC(=O)[C@H](N)CCCC#N ZINC000424176151 405031255 /nfs/dbraw/zinc/03/12/55/405031255.db2.gz RNWVGXKYTSZKBO-CYBMUJFWSA-N 0 3 309.797 2.376 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCCCOc1ccc(F)cc1 ZINC000424064089 404991524 /nfs/dbraw/zinc/99/15/24/404991524.db2.gz NYIDRVKNFBJIGJ-OAHLLOKOSA-N 0 3 307.369 2.122 20 30 DEEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)n(-c2ccc(F)cc2)n1 ZINC000424070941 404994437 /nfs/dbraw/zinc/99/44/37/404994437.db2.gz AXQHQGCMCLKNPM-CQSZACIVSA-N 0 3 315.352 2.280 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000367416328 405043306 /nfs/dbraw/zinc/04/33/06/405043306.db2.gz UYXIUPHZXQNRKP-IAGOWNOFSA-N 0 3 321.465 2.380 20 30 DEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000424324836 405068323 /nfs/dbraw/zinc/06/83/23/405068323.db2.gz KGQHUMVOJRBFJI-SLEUVZQESA-N 0 3 307.419 2.401 20 30 DEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)[C@H](C)C#N ZINC000416384157 405127366 /nfs/dbraw/zinc/12/73/66/405127366.db2.gz FMFANNZZJGQYLG-OAHLLOKOSA-N 0 3 323.462 2.072 20 30 DEEDHN COC[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000452028950 405131225 /nfs/dbraw/zinc/13/12/25/405131225.db2.gz IHPULAFTQDFCJA-CYBMUJFWSA-N 0 3 307.419 2.449 20 30 DEEDHN CN(CCC#N)C(=O)CCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361572723 405137424 /nfs/dbraw/zinc/13/74/24/405137424.db2.gz GFLWCCCYELIOFD-UHFFFAOYSA-N 0 3 313.401 2.002 20 30 DEEDHN C=CCCn1cc(C(=O)Nc2ccc(C)cc2CN(C)C)nn1 ZINC000424671642 405145969 /nfs/dbraw/zinc/14/59/69/405145969.db2.gz WPDCBPYQTBVWCQ-UHFFFAOYSA-N 0 3 313.405 2.477 20 30 DEEDHN CN(CCCN1CCN(C)CC1)Cc1ccc(C#N)cc1Cl ZINC000439436477 405278640 /nfs/dbraw/zinc/27/86/40/405278640.db2.gz HPCDHKZJNAUMIT-UHFFFAOYSA-N 0 3 320.868 2.281 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)[C@H](C#N)CCc3ccccc3)[C@@H]2C1 ZINC000425069969 405243065 /nfs/dbraw/zinc/24/30/65/405243065.db2.gz WBVIAWZDOZWDNZ-OKZBNKHCSA-N 0 3 311.429 2.312 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCN(C)C1CC1 ZINC000425469656 405295870 /nfs/dbraw/zinc/29/58/70/405295870.db2.gz FRPSYDXKQNFXJW-CYBMUJFWSA-N 0 3 300.406 2.355 20 30 DEEDHN C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN1 ZINC000420231823 405298365 /nfs/dbraw/zinc/29/83/65/405298365.db2.gz BDNFQNKSWJIUFZ-CYBMUJFWSA-N 0 3 309.417 2.282 20 30 DEEDHN N#CCCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425503752 405299203 /nfs/dbraw/zinc/29/92/03/405299203.db2.gz JYYUPUQVUAMMEV-DLBZAZTESA-N 0 3 312.417 2.206 20 30 DEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(C#N)s1 ZINC000420812697 405388694 /nfs/dbraw/zinc/38/86/94/405388694.db2.gz VDQNLXXYAJFSIM-LBPRGKRZSA-N 0 3 308.451 2.395 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000427468810 405407336 /nfs/dbraw/zinc/40/73/36/405407336.db2.gz HBKRHHIWZPFRPF-LVQVYYBASA-N 0 3 324.490 2.006 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCC[C@@H]1CCO ZINC000429773144 405448677 /nfs/dbraw/zinc/44/86/77/405448677.db2.gz YLPGTAOLODFKQW-BXUZGUMPSA-N 0 3 321.808 2.291 20 30 DEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000421349453 405466493 /nfs/dbraw/zinc/46/64/93/405466493.db2.gz XNFJVTSTBYZEDR-HOTGVXAUSA-N 0 3 314.364 2.441 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000458616463 405505417 /nfs/dbraw/zinc/50/54/17/405505417.db2.gz JNCZHRQCWFUFED-WBVHZDCISA-N 0 3 319.449 2.133 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000449548888 405608350 /nfs/dbraw/zinc/60/83/50/405608350.db2.gz ROFBLARXMVLIII-XYPHTWIQSA-N 0 3 319.401 2.450 20 30 DEEDHN C[C@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN(C2CC2)C1 ZINC000458775149 405583310 /nfs/dbraw/zinc/58/33/10/405583310.db2.gz WHZDOAYERZOAIN-CQSZACIVSA-N 0 3 306.454 2.442 20 30 DEEDHN CC(C)CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528404334 405594006 /nfs/dbraw/zinc/59/40/06/405594006.db2.gz OYCVCEIIRNRVOZ-IAGOWNOFSA-N 0 3 318.417 2.045 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000459023938 405700567 /nfs/dbraw/zinc/70/05/67/405700567.db2.gz KPUXEBQTWICQOU-SJORKVTESA-N 0 3 317.433 2.103 20 30 DEEDHN CC(C#N)C(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC000633710280 405804049 /nfs/dbraw/zinc/80/40/49/405804049.db2.gz XRCLWSCBVAJIKA-ZETCQYMHSA-N 0 3 313.126 2.047 20 30 DEEDHN COC(=O)c1cccc(CN2CCN(C)[C@@H](C(C)C)C2)c1C#N ZINC000584029211 405809163 /nfs/dbraw/zinc/80/91/63/405809163.db2.gz GFGBFDIVBUOATO-QGZVFWFLSA-N 0 3 315.417 2.117 20 30 DEEDHN COc1ccc([C@H](CCC#N)NC[C@H](O)[C@H]2CCOC2)cc1 ZINC000583604479 405768536 /nfs/dbraw/zinc/76/85/36/405768536.db2.gz CSHSACHALXWSEY-XIRDDKMYSA-N 0 3 304.390 2.027 20 30 DEEDHN CC(C#N)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000495263485 405858674 /nfs/dbraw/zinc/85/86/74/405858674.db2.gz GYQJMXJTYWETJF-GFCCVEGCSA-N 0 3 309.410 2.299 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000457491931 405865647 /nfs/dbraw/zinc/86/56/47/405865647.db2.gz OSPOSIGOVFNNTB-INIZCTEOSA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495615747 405926439 /nfs/dbraw/zinc/92/64/39/405926439.db2.gz BWXYFXGUOAWXJE-HOCLYGCPSA-N 0 3 323.437 2.438 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495653763 405927439 /nfs/dbraw/zinc/92/74/39/405927439.db2.gz CIEOLHYTCFVPQU-MCIONIFRSA-N 0 3 311.426 2.150 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495635366 405927934 /nfs/dbraw/zinc/92/79/34/405927934.db2.gz RINVIMUKMIZPHI-TZMCWYRMSA-N 0 3 307.394 2.196 20 30 DEEDHN C=C(CC)CN1CCC(n2cnc(C(=O)OCC)c2N)CC1 ZINC000459436644 405902848 /nfs/dbraw/zinc/90/28/48/405902848.db2.gz YTEHRFMMKMLUJM-UHFFFAOYSA-N 0 3 306.410 2.245 20 30 DEEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000566792277 406091375 /nfs/dbraw/zinc/09/13/75/406091375.db2.gz PNGLUVQXRKBBCI-HZPDHXFCSA-N 0 3 319.449 2.331 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000466136064 406092262 /nfs/dbraw/zinc/09/22/62/406092262.db2.gz IZOODCGYQMNWBX-KRWDZBQOSA-N 0 3 324.513 2.258 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000565064664 406070015 /nfs/dbraw/zinc/07/00/15/406070015.db2.gz LVDVOVQMCIVGBM-PBHICJAKSA-N 0 3 300.406 2.110 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCc3ccccc3CC2)CC1 ZINC000565619393 406076145 /nfs/dbraw/zinc/07/61/45/406076145.db2.gz ILGRNVQDNIGGDP-UHFFFAOYSA-N 0 3 313.445 2.447 20 30 DEEDHN CN1CCN(c2ccncc2NCc2cc(C#N)cs2)CC1 ZINC000533583814 406156538 /nfs/dbraw/zinc/15/65/38/406156538.db2.gz LIYUARZOESOCRQ-UHFFFAOYSA-N 0 3 313.430 2.379 20 30 DEEDHN C=CC[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000632551332 406179572 /nfs/dbraw/zinc/17/95/72/406179572.db2.gz WSOUEVALMLAMHE-OAHLLOKOSA-N 0 3 300.468 2.090 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000632616832 406201354 /nfs/dbraw/zinc/20/13/54/406201354.db2.gz LOUQZFJEHGBSEO-NVXWUHKLSA-N 0 3 322.474 2.250 20 30 DEEDHN CCC(CC)CN(CCC#N)C(=O)c1ccn(CCN(C)C)n1 ZINC000569138552 406225240 /nfs/dbraw/zinc/22/52/40/406225240.db2.gz XORJCCAVRKZMEL-UHFFFAOYSA-N 0 3 319.453 2.237 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000569473801 406259421 /nfs/dbraw/zinc/25/94/21/406259421.db2.gz WHQQIQKZZKUEOA-CWRNSKLLSA-N 0 3 313.401 2.021 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCN(C)[C@@H](C(C)C)C1 ZINC000488002354 406283040 /nfs/dbraw/zinc/28/30/40/406283040.db2.gz XZIJQTGMEZBDPR-MRXNPFEDSA-N 0 3 317.433 2.218 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000545999634 406342284 /nfs/dbraw/zinc/34/22/84/406342284.db2.gz RALFKJSYZWLTQT-ZFWWWQNUSA-N 0 3 314.389 2.125 20 30 DEEDHN C=CCN(C)C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000488915860 406360727 /nfs/dbraw/zinc/36/07/27/406360727.db2.gz UUAIELGPDCGFLT-UHFFFAOYSA-N 0 3 317.433 2.489 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000489462318 406408729 /nfs/dbraw/zinc/40/87/29/406408729.db2.gz KMXXLUKFIOGYLJ-HIFRSBDPSA-N 0 3 306.362 2.375 20 30 DEEDHN C=CCCCS(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000489535867 406416359 /nfs/dbraw/zinc/41/63/59/406416359.db2.gz XEVDSBLCSZKWTE-OAHLLOKOSA-N 0 3 300.468 2.090 20 30 DEEDHN CC(C)OC1CC(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000521978935 406380201 /nfs/dbraw/zinc/38/02/01/406380201.db2.gz WFLDOAAGUNMGEM-HWOWSKLDSA-N 0 3 301.390 2.362 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CSc3ccccc32)CC1 ZINC000490651651 406478651 /nfs/dbraw/zinc/47/86/51/406478651.db2.gz UQBIGMUZGURXQT-HNNXBMFYSA-N 0 3 300.427 2.295 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CSc3ccccc32)CC1 ZINC000490651653 406478848 /nfs/dbraw/zinc/47/88/48/406478848.db2.gz UQBIGMUZGURXQT-OAHLLOKOSA-N 0 3 300.427 2.295 20 30 DEEDHN C#CCN(CC#CC)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000490714884 406485510 /nfs/dbraw/zinc/48/55/10/406485510.db2.gz SJELODCCESMHNI-LJQANCHMSA-N 0 3 323.440 2.177 20 30 DEEDHN C#CCN(C)CCCNc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000491203786 406543203 /nfs/dbraw/zinc/54/32/03/406543203.db2.gz ZCKHQMDVZAENLT-UHFFFAOYSA-N 0 3 310.829 2.019 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccc(F)cc1 ZINC000491243356 406552634 /nfs/dbraw/zinc/55/26/34/406552634.db2.gz WJYAHUMXYFKGLD-CXAGYDPISA-N 0 3 315.392 2.450 20 30 DEEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491276940 406559356 /nfs/dbraw/zinc/55/93/56/406559356.db2.gz LRDNBAJCBYPMQE-JSGCOSHPSA-N 0 3 302.374 2.192 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000490891242 406502178 /nfs/dbraw/zinc/50/21/78/406502178.db2.gz BMYIQTVPHDCZBG-QZTJIDSGSA-N 0 3 309.413 2.100 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1 ZINC000491461985 406598521 /nfs/dbraw/zinc/59/85/21/406598521.db2.gz GGZSOUKDTPHKIQ-KCXAZCMYSA-N 0 3 303.381 2.282 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](CC)CC(F)(F)F ZINC000491497648 406605942 /nfs/dbraw/zinc/60/59/42/406605942.db2.gz ZBKDZRRJKHIAIH-LBPRGKRZSA-N 0 3 307.360 2.219 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(OC)cc2)CC1 ZINC000491543422 406617007 /nfs/dbraw/zinc/61/70/07/406617007.db2.gz BIJJOOAJRZUKSG-RMKNXTFCSA-N 0 3 300.402 2.475 20 30 DEEDHN C#CCNC(=O)C1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000491565629 406624374 /nfs/dbraw/zinc/62/43/74/406624374.db2.gz AZYMSFIASLNKDX-UHFFFAOYSA-N 0 3 322.811 2.483 20 30 DEEDHN CC(C#N)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491568451 406625987 /nfs/dbraw/zinc/62/59/87/406625987.db2.gz MINKXMDEELSNGA-JHJVBQTASA-N 0 3 309.410 2.298 20 30 DEEDHN C#CCNC(=O)C1CCN(CCOC2CCCCCC2)CC1 ZINC000491616824 406632746 /nfs/dbraw/zinc/63/27/46/406632746.db2.gz AMPNPTBOEIHNAJ-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000491408213 406588074 /nfs/dbraw/zinc/58/80/74/406588074.db2.gz UQHFERKGDZAECO-OAHLLOKOSA-N 0 3 324.428 2.205 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(CC)nn1C)C(C)C ZINC000635560875 406591851 /nfs/dbraw/zinc/59/18/51/406591851.db2.gz OKRFUGOWIJFBSO-QGZVFWFLSA-N 0 3 318.465 2.411 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(OC)cc(Cl)c1F ZINC000491661406 406656234 /nfs/dbraw/zinc/65/62/34/406656234.db2.gz KSCYXFDWBGYPMV-UHFFFAOYSA-N 0 3 312.772 2.173 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccccc1OC(F)F ZINC000491703457 406678456 /nfs/dbraw/zinc/67/84/56/406678456.db2.gz XBFKIKHNCKWAPS-KTKRTIGZSA-N 0 3 322.355 2.373 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000491710988 406681796 /nfs/dbraw/zinc/68/17/96/406681796.db2.gz VPMCAIBZQWGJHO-LBPRGKRZSA-N 0 3 305.809 2.257 20 30 DEEDHN CCN1CCCN(C(=O)/C=C\c2ccc(OCC#N)cc2)CC1 ZINC000491748860 406700484 /nfs/dbraw/zinc/70/04/84/406700484.db2.gz QQRHGNYOFDAJCR-TWGQIWQCSA-N 0 3 313.401 2.156 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(CC)n1)C(C)C ZINC000572288576 406638639 /nfs/dbraw/zinc/63/86/39/406638639.db2.gz AAKIWBCZNFCMAU-INIZCTEOSA-N 0 3 304.438 2.331 20 30 DEEDHN C#CCNC(=O)CCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000491634254 406643068 /nfs/dbraw/zinc/64/30/68/406643068.db2.gz JNJUHPITNMLIQB-ZIAGYGMSSA-N 0 3 300.402 2.142 20 30 DEEDHN C#CCN(C)CCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000491635833 406643302 /nfs/dbraw/zinc/64/33/02/406643302.db2.gz URCTUXCYTKKVTC-GOSISDBHSA-N 0 3 314.408 2.193 20 30 DEEDHN CN(C)C/C=C\C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000491850096 406747221 /nfs/dbraw/zinc/74/72/21/406747221.db2.gz PTLZCJBAVZVSGN-DHCBQETCSA-N 0 3 322.206 2.248 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000573081225 406769345 /nfs/dbraw/zinc/76/93/45/406769345.db2.gz QUHHMRDLHPHDLY-SIXLDLHFSA-N 0 3 317.433 2.321 20 30 DEEDHN C#C[C@H](NC1CCN(CC(=O)OC)CC1)c1ccc(Cl)cc1 ZINC000491771520 406710280 /nfs/dbraw/zinc/71/02/80/406710280.db2.gz OPNVMRCKEMHFNF-INIZCTEOSA-N 0 3 320.820 2.241 20 30 DEEDHN C#CCN(C)CCCNC(=S)Nc1cccc(OCC)c1 ZINC000491783039 406717601 /nfs/dbraw/zinc/71/76/01/406717601.db2.gz NCIASLGPKRTWDR-UHFFFAOYSA-N 0 3 305.447 2.327 20 30 DEEDHN CCOc1ccc(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000573438643 406773461 /nfs/dbraw/zinc/77/34/61/406773461.db2.gz IRDKDGNWICAHQF-RRFJBIMHSA-N 0 3 304.390 2.107 20 30 DEEDHN C=CCNC(=O)CN(CCCC)[C@H]1CCc2ncsc2C1 ZINC000646129136 406791460 /nfs/dbraw/zinc/79/14/60/406791460.db2.gz WNVCOCRDQFWAAJ-ZDUSSCGKSA-N 0 3 307.463 2.405 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000641769681 406888570 /nfs/dbraw/zinc/88/85/70/406888570.db2.gz XWAZORVQIRYQQN-SJLPKXTDSA-N 0 3 303.402 2.108 20 30 DEEDHN CN(Cc1ccccc1)C[C@@H](O)CNCC#Cc1ccccc1 ZINC000644514890 407133618 /nfs/dbraw/zinc/13/36/18/407133618.db2.gz GFZJOISQLHVXFW-FQEVSTJZSA-N 0 3 308.425 2.121 20 30 DEEDHN C=CCn1cc(C(=O)N(CCN2CCCCCC2)C(C)C)nn1 ZINC000648392613 407173351 /nfs/dbraw/zinc/17/33/51/407173351.db2.gz QYLBESHLOUFJLO-UHFFFAOYSA-N 0 3 319.453 2.191 20 30 DEEDHN CCCC(O)(CCC)CNCc1cnc2c(C#N)cnn2c1 ZINC000570092936 292462596 /nfs/dbraw/zinc/46/25/96/292462596.db2.gz BRAKMZISPVXBLX-UHFFFAOYSA-N 0 3 301.394 2.022 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cnccc3n2)[C@H]1C ZINC001088881021 782014953 /nfs/dbraw/zinc/01/49/53/782014953.db2.gz WXKMQKFGRJBHOM-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)[C@H]1C ZINC001088881696 782015682 /nfs/dbraw/zinc/01/56/82/782015682.db2.gz BIJSWTYBAMKBEF-BMIGLBTASA-N 0 3 312.335 2.411 20 30 DEEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)CSCC#N ZINC000133189493 196320351 /nfs/dbraw/zinc/32/03/51/196320351.db2.gz YSILXNSJKHFIQP-UHFFFAOYSA-N 0 3 305.447 2.270 20 30 DEEDHN N=C(NCc1cn2c(n1)CCCC2)Nc1cc(F)ccc1F ZINC000262297048 225267648 /nfs/dbraw/zinc/26/76/48/225267648.db2.gz OZQQKATVBLGMOQ-UHFFFAOYSA-N 0 3 305.332 2.424 20 30 DEEDHN N#CCOc1ccccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264659451 225317135 /nfs/dbraw/zinc/31/71/35/225317135.db2.gz YIAWVHWUUPOVMQ-HNNXBMFYSA-N 0 3 313.401 2.289 20 30 DEEDHN Cc1c(C(=O)N[C@H](CO)CN2CCCCC2)cnn1C(C)(C)C ZINC000330615946 226017487 /nfs/dbraw/zinc/01/74/87/226017487.db2.gz VGLLCVQIEACKDB-AWEZNQCLSA-N 0 3 322.453 2.098 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1cccc(C#N)c1 ZINC000330943165 226045888 /nfs/dbraw/zinc/04/58/88/226045888.db2.gz HJFASJUQBHIYKW-PBHICJAKSA-N 0 3 314.433 2.287 20 30 DEEDHN N#CCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000331183121 226067792 /nfs/dbraw/zinc/06/77/92/226067792.db2.gz ZUXHVGOJKMRXGV-ZDUSSCGKSA-N 0 3 306.435 2.377 20 30 DEEDHN C#CCN(C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000291306056 222300766 /nfs/dbraw/zinc/30/07/66/222300766.db2.gz QGRHDDVQYIITOK-KRWDZBQOSA-N 0 3 317.433 2.351 20 30 DEEDHN Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ncc1C#N ZINC000603113878 422445136 /nfs/dbraw/zinc/44/51/36/422445136.db2.gz WWSKLSUZFBVQPW-CABCVRRESA-N 0 3 313.405 2.400 20 30 DEEDHN N#Cc1c[nH]nc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000601640644 422426459 /nfs/dbraw/zinc/42/64/59/422426459.db2.gz JXBXZAKWIHYEAV-UHFFFAOYSA-N 0 3 309.373 2.132 20 30 DEEDHN CN1CCC(n2ccc(NC(=O)c3ccc(C#N)s3)n2)CC1 ZINC000618779754 422527506 /nfs/dbraw/zinc/52/75/06/422527506.db2.gz BBXVZJWQMPGXJD-UHFFFAOYSA-N 0 3 315.402 2.335 20 30 DEEDHN N#Cc1ccc(NC2CCN(Cc3ccccc3)CC2)nc1N ZINC000571938347 424933112 /nfs/dbraw/zinc/93/31/12/424933112.db2.gz DNDIJUSTWKODSS-UHFFFAOYSA-N 0 3 307.401 2.612 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)nc1 ZINC000593052646 425006681 /nfs/dbraw/zinc/00/66/81/425006681.db2.gz SIOYCHSOJXBJAR-QWRGUYRKSA-N 0 3 313.279 2.639 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](c2ccc(C)cc2)N(C)C)n1 ZINC000596092265 425017792 /nfs/dbraw/zinc/01/77/92/425017792.db2.gz MXNFIWOMICPFEN-MRXNPFEDSA-N 0 3 309.417 2.934 20 30 DEEDHN C[C@H](c1ccccc1)N1CCC(Nc2cc(C#N)cnn2)CC1 ZINC000596132140 425019086 /nfs/dbraw/zinc/01/90/86/425019086.db2.gz HKPAENFDKBDYDW-CQSZACIVSA-N 0 3 307.401 2.986 20 30 DEEDHN CCc1nc(C#N)cc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000596217464 425020896 /nfs/dbraw/zinc/02/08/96/425020896.db2.gz RAHCHIDHWBPELK-ACJLOTCBSA-N 0 3 309.417 3.014 20 30 DEEDHN C=CCOCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751727 425073841 /nfs/dbraw/zinc/07/38/41/425073841.db2.gz QSTPVIIHYLVLNL-MOPGFXCFSA-N 0 3 316.445 2.164 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1 ZINC000660705523 425212376 /nfs/dbraw/zinc/21/23/76/425212376.db2.gz VSILWULUUMLFQU-LBPRGKRZSA-N 0 3 301.381 2.227 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000660706030 425212531 /nfs/dbraw/zinc/21/25/31/425212531.db2.gz ZTAVQUFPSXCXAD-BZUAXINKSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN(C(=O)NCCN1CCCC[C@@H]1CC)[C@H](C)COC ZINC000664178308 425324528 /nfs/dbraw/zinc/32/45/28/425324528.db2.gz IIHOUMBYTCOVIB-CVEARBPZSA-N 0 3 311.470 2.483 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000654313974 425325250 /nfs/dbraw/zinc/32/52/50/425325250.db2.gz GDEAKZIYZXVANE-HOTGVXAUSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1CC1CCOCC1 ZINC000661113871 425327290 /nfs/dbraw/zinc/32/72/90/425327290.db2.gz BLWGNMLBGLLHIZ-HOTGVXAUSA-N 0 3 319.453 2.324 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)CO)CC1 ZINC000664017430 425289926 /nfs/dbraw/zinc/28/99/26/425289926.db2.gz WNFXJABRMLMEPA-WBVHZDCISA-N 0 3 323.481 2.219 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CCN(C)C ZINC000665392978 425561551 /nfs/dbraw/zinc/56/15/51/425561551.db2.gz KOMUOEBNVQSAQC-IAGOWNOFSA-N 0 3 324.513 2.256 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCNc1ccncc1 ZINC000665394927 425561807 /nfs/dbraw/zinc/56/18/07/425561807.db2.gz XNDIQXHGVAIAAP-GDBMZVCRSA-N 0 3 302.422 2.350 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C#N)cn1)C1CC1 ZINC000496175179 269203955 /nfs/dbraw/zinc/20/39/55/269203955.db2.gz YMEZTJVHMWGCKB-OAHLLOKOSA-N 0 3 316.405 2.346 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCO[C@H]21 ZINC000516246366 269360715 /nfs/dbraw/zinc/36/07/15/269360715.db2.gz WYTKNZVZXSHYAO-DJIMGWMZSA-N 0 3 313.401 2.290 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000319405177 276008249 /nfs/dbraw/zinc/00/82/49/276008249.db2.gz MTLNBPAMFCJVSN-ZMSDIMECSA-N 0 3 309.454 2.056 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H](C)C(=O)N1CCCC1)N1CCCCC1 ZINC000329829451 276010882 /nfs/dbraw/zinc/01/08/82/276010882.db2.gz JSFGCIGSBRXJGK-LSDHHAIUSA-N 0 3 309.454 2.464 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](O)CC1)C(C)C ZINC000296964844 276891211 /nfs/dbraw/zinc/89/12/11/276891211.db2.gz DELJHLSQRWYVBA-IRXDYDNUSA-N 0 3 323.481 2.241 20 30 DEEDHN CN1CCC2(CCCN2C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000362367915 277037466 /nfs/dbraw/zinc/03/74/66/277037466.db2.gz DQAGHXXRQIGCBH-UHFFFAOYSA-N 0 3 312.417 2.328 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000489580021 277830064 /nfs/dbraw/zinc/83/00/64/277830064.db2.gz CUNWFEJBCGJVDM-SOUVJXGZSA-N 0 3 302.484 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@](C)(O)C1CCC1)C(C)C ZINC000362768337 277852386 /nfs/dbraw/zinc/85/23/86/277852386.db2.gz DEPPYZWMMIMJMK-SJLPKXTDSA-N 0 3 308.466 2.352 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374396394 279219384 /nfs/dbraw/zinc/21/93/84/279219384.db2.gz YBQYHNDSCKACPO-OWCLPIDISA-N 0 3 319.449 2.076 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000333280358 279271651 /nfs/dbraw/zinc/27/16/51/279271651.db2.gz ITOFYMZXHQAXRG-UYSNPLJNSA-N 0 3 306.454 2.490 20 30 DEEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CC2(CCOCC2)O1 ZINC000369707036 288158209 /nfs/dbraw/zinc/15/82/09/288158209.db2.gz PBYAKHBMHCYYDB-MRXNPFEDSA-N 0 3 322.449 2.357 20 30 DEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000408122709 280101445 /nfs/dbraw/zinc/10/14/45/280101445.db2.gz ZALWRRRGMDOXBV-FZMZJTMJSA-N 0 3 318.808 2.305 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329328939 281051791 /nfs/dbraw/zinc/05/17/91/281051791.db2.gz KTFMNFKCIWDYBA-RRFJBIMHSA-N 0 3 322.453 2.216 20 30 DEEDHN CN(CCN1CCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000089899418 281626373 /nfs/dbraw/zinc/62/63/73/281626373.db2.gz WOWFLYNDBIIQAI-UHFFFAOYSA-N 0 3 311.389 2.136 20 30 DEEDHN C[C@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)n1nnnc1C(C)(C)C ZINC000329255175 289231868 /nfs/dbraw/zinc/23/18/68/289231868.db2.gz ANSROYDKJCODSV-UTUOFQBUSA-N 0 3 320.441 2.113 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)[C@H]1C ZINC001088935060 782060359 /nfs/dbraw/zinc/06/03/59/782060359.db2.gz MLRLMPIFVHBHFS-DOMZBBRYSA-N 0 3 315.417 2.045 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2(COC)CC2)C1 ZINC001423675256 1173482439 /nfs/dbraw/zinc/48/24/39/1173482439.db2.gz DTUZWDWYQWTRRF-UHFFFAOYSA-N 0 3 300.830 2.135 20 30 DEEDHN C[C@H](NC(=O)NCC1CCC(C#N)CC1)C1=CCN(C)CC1 ZINC000331315270 299005475 /nfs/dbraw/zinc/00/54/75/299005475.db2.gz XLYDSRNXIPVXKN-NFOMZHRRSA-N 0 3 304.438 2.470 20 30 DEEDHN C=CC[C@@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)OC ZINC001350015358 1151316738 /nfs/dbraw/zinc/31/67/38/1151316738.db2.gz SAGJVBGNNNLPGW-MRXNPFEDSA-N 0 3 317.385 2.096 20 30 DEEDHN CN1CCC[C@H](CNc2ccnc(C#N)n2)[C@@H]1c1cccs1 ZINC000574464195 326158020 /nfs/dbraw/zinc/15/80/20/326158020.db2.gz AQIREIPDMNZERC-MLGOLLRUSA-N 0 3 313.430 2.327 20 30 DEEDHN N#Cc1cc2c(nc1N1CC[C@H](N3CCCCC3)C1)CCOC2 ZINC000577466707 326368222 /nfs/dbraw/zinc/36/82/22/326368222.db2.gz LIRRHBBJJOGPTP-INIZCTEOSA-N 0 3 312.417 2.091 20 30 DEEDHN CCO[C@@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)C12CCC2 ZINC000584113938 331832476 /nfs/dbraw/zinc/83/24/76/331832476.db2.gz QEIKQXDSNMAYCI-LSDHHAIUSA-N 0 3 311.389 2.038 20 30 DEEDHN CC[C@@H](C)NC(=O)CCNCc1ccc(N(C)CCC#N)cc1 ZINC000069750170 331916490 /nfs/dbraw/zinc/91/64/90/331916490.db2.gz IDPHFHCKEMFXAT-OAHLLOKOSA-N 0 3 316.449 2.431 20 30 DEEDHN C=CCn1c(CC)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000569438503 332082853 /nfs/dbraw/zinc/08/28/53/332082853.db2.gz UCQYOLMDGVVGMJ-QLFBSQMISA-N 0 3 303.454 2.193 20 30 DEEDHN C=C(C)COc1cc(CN[C@H]2CCN(C(C)=O)C2)ccc1OC ZINC000152822462 332431900 /nfs/dbraw/zinc/43/19/00/332431900.db2.gz KFARFZYFZZZZRQ-INIZCTEOSA-N 0 3 318.417 2.361 20 30 DEEDHN CN(c1cc(C#N)ncn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388356013 333280673 /nfs/dbraw/zinc/28/06/73/333280673.db2.gz KXNJJMBRGQLTJN-QGZVFWFLSA-N 0 3 307.401 2.449 20 30 DEEDHN CCN(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531229943 333336302 /nfs/dbraw/zinc/33/63/02/333336302.db2.gz QETWVUGFHKYUBG-MRXNPFEDSA-N 0 3 300.406 2.056 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCC[C@@H](C)C1 ZINC000344833462 335278911 /nfs/dbraw/zinc/27/89/11/335278911.db2.gz XERBAEXLGKHFJU-KGLIPLIRSA-N 0 3 310.417 2.144 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000351938252 336181500 /nfs/dbraw/zinc/18/15/00/336181500.db2.gz WWSHSBQQBRVHGI-JFIYKMOQSA-N 0 3 318.461 2.179 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000563977104 336389377 /nfs/dbraw/zinc/38/93/77/336389377.db2.gz ZVCBWAJWPOOHOO-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CCCCCN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375754366 337018774 /nfs/dbraw/zinc/01/87/74/337018774.db2.gz CEBIXRGBFSJLBU-HUUCEWRRSA-N 0 3 309.410 2.050 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000582961483 337219041 /nfs/dbraw/zinc/21/90/41/337219041.db2.gz GCSYERISVXFODI-UHFFFAOYSA-N 0 3 304.438 2.362 20 30 DEEDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000584566197 337362203 /nfs/dbraw/zinc/36/22/03/337362203.db2.gz GUDNCZITKXCNOI-DAYGRLMNSA-N 0 3 314.433 2.027 20 30 DEEDHN C=CC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528379173 337748876 /nfs/dbraw/zinc/74/88/76/337748876.db2.gz KDFJMUNBINPTBQ-UHFFFAOYSA-N 0 3 308.381 2.184 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)C1 ZINC000516157468 338006619 /nfs/dbraw/zinc/00/66/19/338006619.db2.gz MNVILDKALXHQJK-QEOTZNIISA-N 0 3 318.465 2.440 20 30 DEEDHN CN1CCC(NN=CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000496747087 340011999 /nfs/dbraw/zinc/01/19/99/340011999.db2.gz ZYRYHILWYZYSOB-UHFFFAOYSA-N 0 3 324.469 2.351 20 30 DEEDHN CC(C#N)C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496963860 340017114 /nfs/dbraw/zinc/01/71/14/340017114.db2.gz SFEHPSSYNVDLGC-LBPRGKRZSA-N 0 3 307.394 2.006 20 30 DEEDHN CC(C#N)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497021835 340018381 /nfs/dbraw/zinc/01/83/81/340018381.db2.gz YTHMNFQOZMXCQY-OLZOCXBDSA-N 0 3 309.410 2.442 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]Cc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000544569484 341086242 /nfs/dbraw/zinc/08/62/42/341086242.db2.gz GZNURTOJDILFTK-SJKOYZFVSA-N 0 3 301.390 2.186 20 30 DEEDHN C=CCOCc1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000545580139 341131427 /nfs/dbraw/zinc/13/14/27/341131427.db2.gz FCJNSZNKCPPSPK-UHFFFAOYSA-N 0 3 303.362 2.380 20 30 DEEDHN C=CCn1c(CCCC)nnc1N1CC[C@H](N2CCCC2)C1 ZINC000548956825 341282228 /nfs/dbraw/zinc/28/22/28/341282228.db2.gz QMIJSDXPDGLWFY-HNNXBMFYSA-N 0 3 303.454 2.481 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000248869317 341388982 /nfs/dbraw/zinc/38/89/82/341388982.db2.gz ZMGPCWWHYCMVHC-YALNPMBYSA-N 0 3 323.481 2.424 20 30 DEEDHN CN(C(=O)/C=C\c1ccc(OCC#N)cc1)C1CCN(C)CC1 ZINC000255003081 341496680 /nfs/dbraw/zinc/49/66/80/341496680.db2.gz WADIKCSLJWMEQK-YVMONPNESA-N 0 3 313.401 2.155 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000576935875 341870705 /nfs/dbraw/zinc/87/07/05/341870705.db2.gz GDMTUPPNHIGVGS-ROUUACIJSA-N 0 3 319.424 2.463 20 30 DEEDHN Cc1cccnc1CNCC1(NC(=O)[C@H](C)C#N)CCCC1 ZINC001378353122 1152302995 /nfs/dbraw/zinc/30/29/95/1152302995.db2.gz QRWBAIHZXANFTJ-CQSZACIVSA-N 0 3 300.406 2.068 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](OC)C1CCCC1 ZINC001377519389 1160474039 /nfs/dbraw/zinc/47/40/39/1160474039.db2.gz XPRJUABRJTYAON-JSGCOSHPSA-N 0 3 302.846 2.429 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](C)CNCc1cc(F)ccc1C#N ZINC001378534148 1152365715 /nfs/dbraw/zinc/36/57/15/1152365715.db2.gz VIEJZAADPRNJRP-NEPJUHHUSA-N 0 3 323.437 2.291 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001378562673 1152377611 /nfs/dbraw/zinc/37/76/11/1152377611.db2.gz VTUVXWFVWXNVPT-ZIAGYGMSSA-N 0 3 319.474 2.399 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001330069124 1149045681 /nfs/dbraw/zinc/04/56/81/1149045681.db2.gz DLZAWSJORIVBGA-BZUAXINKSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(OC)ccn2)CCCC1 ZINC001378708289 1152420114 /nfs/dbraw/zinc/42/01/14/1152420114.db2.gz LPFRXGSNFGBDSA-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC001330240481 1149077612 /nfs/dbraw/zinc/07/76/12/1149077612.db2.gz CUKWVGRQKDQXFW-HUUCEWRRSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001330345869 1149096702 /nfs/dbraw/zinc/09/67/02/1149096702.db2.gz IPMKPSWMZDRYER-QSPRXWTASA-N 0 3 314.404 2.247 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCCc3cccs3)[C@@H]2C1 ZINC001330359580 1149098913 /nfs/dbraw/zinc/09/89/13/1149098913.db2.gz JNBQAGYBRZWHMF-OSYLJGHBSA-N 0 3 316.470 2.388 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001358794911 1152486304 /nfs/dbraw/zinc/48/63/04/1152486304.db2.gz PEAXPVHJMFPJCW-KSSFIOAISA-N 0 3 323.481 2.036 20 30 DEEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1 ZINC000106883565 522676197 /nfs/dbraw/zinc/67/61/97/522676197.db2.gz LGNXFIMPKZVRNB-ZDUSSCGKSA-N 0 3 307.781 2.261 20 30 DEEDHN Cc1csc(CON=C(N)c2ccc(CN(C)C)cc2)n1 ZINC000267995484 534820633 /nfs/dbraw/zinc/82/06/33/534820633.db2.gz LBVKONXQUZWDEX-UHFFFAOYSA-N 0 3 304.419 2.350 20 30 DEEDHN C=C(C)CCC(=O)NC[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001358824436 1152497650 /nfs/dbraw/zinc/49/76/50/1152497650.db2.gz ZYXRLMGEFYYUID-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCn1ccnc1 ZINC000124242700 526152799 /nfs/dbraw/zinc/15/27/99/526152799.db2.gz XUXXFTIDMSSISO-CQSZACIVSA-N 0 3 311.389 2.104 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccncc2F)CC1 ZINC000338038939 526437148 /nfs/dbraw/zinc/43/71/48/526437148.db2.gz KOSPSOHQMZKUAI-LBPRGKRZSA-N 0 3 306.385 2.231 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2CCO3)CC1 ZINC000333055362 526441914 /nfs/dbraw/zinc/44/19/14/526441914.db2.gz RETFBUHUYPHXCQ-UHFFFAOYSA-N 0 3 301.390 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000292907772 526442553 /nfs/dbraw/zinc/44/25/53/526442553.db2.gz VIILDEKIPHDLHX-ZDUSSCGKSA-N 0 3 316.401 2.285 20 30 DEEDHN C=C(C)CN(CCC(=O)N1CCN(C)CC1)Cc1ccccc1 ZINC000338395209 526551246 /nfs/dbraw/zinc/55/12/46/526551246.db2.gz ZUZBTVFFTPQWJA-UHFFFAOYSA-N 0 3 315.461 2.229 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(CCO)CCCC2)CC1 ZINC000341084477 526588556 /nfs/dbraw/zinc/58/85/56/526588556.db2.gz DUBYBXAOEJGZLG-UHFFFAOYSA-N 0 3 323.481 2.269 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000368913631 526723801 /nfs/dbraw/zinc/72/38/01/526723801.db2.gz LWEGGHJRSXCWEA-KRWDZBQOSA-N 0 3 311.429 2.105 20 30 DEEDHN C=C(C)Cn1c(CCCC)nnc1N1CCN2CCC[C@@H]2C1 ZINC000338803602 526729295 /nfs/dbraw/zinc/72/92/95/526729295.db2.gz UDGYFPVKRUAUCS-OAHLLOKOSA-N 0 3 303.454 2.481 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](CC)c1ccncc1 ZINC000296811724 526806379 /nfs/dbraw/zinc/80/63/79/526806379.db2.gz ISCDQYBTPLGOJI-MRXNPFEDSA-N 0 3 302.422 2.129 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1csc(CC)n1 ZINC000296612148 526819030 /nfs/dbraw/zinc/81/90/30/526819030.db2.gz KPZPVDSLQHQLKL-GFCCVEGCSA-N 0 3 308.451 2.021 20 30 DEEDHN C#CCN(C)CCCNc1ncc(Br)cc1C#N ZINC000294834997 526828631 /nfs/dbraw/zinc/82/86/31/526828631.db2.gz AMXPZFVUDCTFDU-UHFFFAOYSA-N 0 3 307.195 2.083 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000418169862 526876805 /nfs/dbraw/zinc/87/68/05/526876805.db2.gz QNNJAPNVIOOGNC-KGLIPLIRSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N3CCCC[C@H]23)cc1 ZINC000337795320 526890408 /nfs/dbraw/zinc/89/04/08/526890408.db2.gz CXJFQNGWSJOONQ-DLBZAZTESA-N 0 3 300.402 2.494 20 30 DEEDHN C=CCC(F)(F)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000292980770 527036696 /nfs/dbraw/zinc/03/66/96/527036696.db2.gz HQBDAEWEWLBZIK-UHFFFAOYSA-N 0 3 312.360 2.455 20 30 DEEDHN C#CCOc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC000296879556 527104166 /nfs/dbraw/zinc/10/41/66/527104166.db2.gz GCZJVYKMUPFMES-QGZVFWFLSA-N 0 3 300.402 2.189 20 30 DEEDHN CC(C)(O)CN1CCc2c(cccc2Nc2nccnc2C#N)C1 ZINC000302166226 527347647 /nfs/dbraw/zinc/34/76/47/527347647.db2.gz OXUMNHOOGHNTLV-UHFFFAOYSA-N 0 3 323.400 2.221 20 30 DEEDHN C#Cc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000294927988 527434148 /nfs/dbraw/zinc/43/41/48/527434148.db2.gz ZGSXZWLZBRTXET-ZWKOTPCHSA-N 0 3 304.393 2.449 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(C[C@@H](O)CCC=C)C(C)(C)C1 ZINC000247292937 527455009 /nfs/dbraw/zinc/45/50/09/527455009.db2.gz HMHKKNKCHXNQEU-SJORKVTESA-N 0 3 310.482 2.037 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000372016617 527489466 /nfs/dbraw/zinc/48/94/66/527489466.db2.gz GROHIPIFGQHXAE-HNNXBMFYSA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@@H](C)N(C[C@@H](O)CCC=C)[C@@H](C)C1 ZINC000193258691 527493340 /nfs/dbraw/zinc/49/33/40/527493340.db2.gz OVVPVQKGHAEBDZ-MHORFTMASA-N 0 3 310.482 2.035 20 30 DEEDHN C=CCCc1ccccc1NC(=O)NCC1(O)CCN(C)CC1 ZINC000337607302 527507289 /nfs/dbraw/zinc/50/72/89/527507289.db2.gz QRUJGPNCGPONOO-UHFFFAOYSA-N 0 3 317.433 2.383 20 30 DEEDHN CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424090517 527547910 /nfs/dbraw/zinc/54/79/10/527547910.db2.gz JDYSGGMGCQOXTI-AWEZNQCLSA-N 0 3 302.378 2.241 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1cc(-c2cnn(C)c2C)no1 ZINC000340209196 527573169 /nfs/dbraw/zinc/57/31/69/527573169.db2.gz JFELRYPLGQUGCE-UHFFFAOYSA-N 0 3 317.437 2.323 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245589775 527633454 /nfs/dbraw/zinc/63/34/54/527633454.db2.gz KKEPMLANDZVWEQ-IXDOHACOSA-N 0 3 316.449 2.355 20 30 DEEDHN CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330779366 527709122 /nfs/dbraw/zinc/70/91/22/527709122.db2.gz WFEVNSIXMUOCSD-ZFWWWQNUSA-N 0 3 311.470 2.184 20 30 DEEDHN CC[C@@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000453431123 535568261 /nfs/dbraw/zinc/56/82/61/535568261.db2.gz ULSFAHZXRIDJTF-CQSZACIVSA-N 0 3 324.432 2.274 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1(C)C ZINC000451501709 536816367 /nfs/dbraw/zinc/81/63/67/536816367.db2.gz GZDFDCRDDZYNOB-XBRDJLCQSA-N 0 3 309.454 2.078 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1cc(C#N)ccc1F 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DEEDHN Cc1nc(C)c(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)o1 ZINC001379345070 1152612426 /nfs/dbraw/zinc/61/24/26/1152612426.db2.gz NWGILZWBQKMCRX-SECBINFHSA-N 0 3 318.402 2.133 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001379350385 1152613440 /nfs/dbraw/zinc/61/34/40/1152613440.db2.gz VEUFLRSOKBGRQD-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001379413390 1152620758 /nfs/dbraw/zinc/62/07/58/1152620758.db2.gz CYWLMWUUIJIUGV-RZFFKMDDSA-N 0 3 315.392 2.338 20 30 DEEDHN C#CCCCCC(=O)N1CCC2(CO[C@H](CNCCF)C2)CC1 ZINC001330541532 1149184228 /nfs/dbraw/zinc/18/42/28/1149184228.db2.gz CWXQQYQWSXBDHM-INIZCTEOSA-N 0 3 324.440 2.137 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CCCn2ccnc2C)C1 ZINC001379588288 1152647365 /nfs/dbraw/zinc/64/73/65/1152647365.db2.gz SNVMXZKGZFTEJD-DZGCQCFKSA-N 0 3 324.856 2.303 20 30 DEEDHN CC[C@@H](OC)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998711445 634384365 /nfs/dbraw/zinc/38/43/65/634384365.db2.gz PCBLIWUAHCLMFH-SWLSCSKDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001381136715 1152923597 /nfs/dbraw/zinc/92/35/97/1152923597.db2.gz VBPVKWLFZXKXHV-KBPBESRZSA-N 0 3 315.889 2.296 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1nccc(C)n1 ZINC001025225714 625283775 /nfs/dbraw/zinc/28/37/75/625283775.db2.gz GBNMWEOPUYPNBB-JKSUJKDBSA-N 0 3 314.433 2.430 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(COC)c2)C1 ZINC001023472296 625285585 /nfs/dbraw/zinc/28/55/85/625285585.db2.gz VFZQGQZCMFOXBV-KRWDZBQOSA-N 0 3 314.429 2.298 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(OC)cc2F)C1 ZINC001023472381 625285685 /nfs/dbraw/zinc/28/56/85/625285685.db2.gz XKHOHQXKOYMINC-CQSZACIVSA-N 0 3 318.392 2.299 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001025227832 625287402 /nfs/dbraw/zinc/28/74/02/625287402.db2.gz SLKOHPHMHPGZLM-HOTGVXAUSA-N 0 3 306.450 2.016 20 30 DEEDHN 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/nfs/dbraw/zinc/16/19/61/624161961.db2.gz HNPPCBFLLVJHNP-GFCCVEGCSA-N 0 3 300.358 2.278 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2csc([C@H](C)OC)n2)C1 ZINC000971538542 624185088 /nfs/dbraw/zinc/18/50/88/624185088.db2.gz DPZZFTLLQAAZLK-RYUDHWBXSA-N 0 3 309.435 2.183 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2cccc(OC)c2F)C1 ZINC000971645873 624471516 /nfs/dbraw/zinc/47/15/16/624471516.db2.gz YXJNVVACWRHAOI-OAHLLOKOSA-N 0 3 320.408 2.486 20 30 DEEDHN COC1CCC(CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000891540895 624472719 /nfs/dbraw/zinc/47/27/19/624472719.db2.gz UYBNCXXTSYYFHP-UHFFFAOYSA-N 0 3 314.433 2.280 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@](C)(OC)c2ccccc2F)C1 ZINC000971662907 624495605 /nfs/dbraw/zinc/49/56/05/624495605.db2.gz LITQFQJZEMVARC-RDTXWAMCSA-N 0 3 320.408 2.406 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000971683973 624505477 /nfs/dbraw/zinc/50/54/77/624505477.db2.gz FYGQBXODUFJGNT-QGZVFWFLSA-N 0 3 310.401 2.205 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC000971707061 624512429 /nfs/dbraw/zinc/51/24/29/624512429.db2.gz RPGTZDHMFFDJMA-NVXWUHKLSA-N 0 3 313.445 2.329 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@](C)(OC)c2ccccc2)C1 ZINC001027652806 634392655 /nfs/dbraw/zinc/39/26/55/634392655.db2.gz UEWJOGFNUBOLAQ-PKOBYXMFSA-N 0 3 314.429 2.104 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC000971832498 624629146 /nfs/dbraw/zinc/62/91/46/624629146.db2.gz JCXIHGDCGDPHPX-GOEBONIOSA-N 0 3 316.449 2.495 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2coc(C(F)(F)F)n2)C1 ZINC000971865557 624666819 /nfs/dbraw/zinc/66/68/19/624666819.db2.gz HYKHLZZNSCVVSE-VIFPVBQESA-N 0 3 303.284 2.026 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)c2cocc2C)C1 ZINC001022551408 624725838 /nfs/dbraw/zinc/72/58/38/624725838.db2.gz OGQKCXCSPMDJIB-PHIMTYICSA-N 0 3 313.195 2.347 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000119556477 624756542 /nfs/dbraw/zinc/75/65/42/624756542.db2.gz 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ZINC000924409634 624810758 /nfs/dbraw/zinc/81/07/58/624810758.db2.gz UPNHRQOYVZSBRM-ZMSDIMECSA-N 0 3 303.450 2.162 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2F)C[C@@H]1C ZINC000947507797 624931087 /nfs/dbraw/zinc/93/10/87/624931087.db2.gz YJTFWTDLCCPRSN-UONOGXRCSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C(CC)CC)no3)[C@@H]2C1 ZINC000978805684 634424876 /nfs/dbraw/zinc/42/48/76/634424876.db2.gz MJRMXZFEVARYRE-QKDCVEJESA-N 0 3 315.417 2.119 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001024798155 625059199 /nfs/dbraw/zinc/05/91/99/625059199.db2.gz VAIBVWGUCXZDEX-HNNXBMFYSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001027675160 634431131 /nfs/dbraw/zinc/43/11/31/634431131.db2.gz QGOGFFOMZLEYDR-GDBMZVCRSA-N 0 3 318.392 2.149 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000972409304 625061147 /nfs/dbraw/zinc/06/11/47/625061147.db2.gz MFRBLJSGYNLBBO-LBPRGKRZSA-N 0 3 308.813 2.186 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000972421016 625066641 /nfs/dbraw/zinc/06/66/41/625066641.db2.gz INRGNPUFFXAPAZ-HNNXBMFYSA-N 0 3 310.401 2.205 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ncccc1OCC ZINC001024831757 625070116 /nfs/dbraw/zinc/07/01/16/625070116.db2.gz ZHXSOZZOWJWQNS-HNNXBMFYSA-N 0 3 315.417 2.088 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000998884518 634433166 /nfs/dbraw/zinc/43/31/66/634433166.db2.gz JWJPSMLVCDRGFP-UHFFFAOYSA-N 0 3 323.824 2.033 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC001022944718 625112215 /nfs/dbraw/zinc/11/22/15/625112215.db2.gz SMCDIODUMYXJEQ-YIYPIFLZSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC000972482122 625116071 /nfs/dbraw/zinc/11/60/71/625116071.db2.gz FFWJQBYYMMJMSR-CYBMUJFWSA-N 0 3 311.385 2.273 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(c3cc(C)no3)CC2)C[C@@H]1C ZINC000947653582 625122305 /nfs/dbraw/zinc/12/23/05/625122305.db2.gz PPMWEAQRZGXDPJ-LSDHHAIUSA-N 0 3 315.417 2.007 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001022986514 625126750 /nfs/dbraw/zinc/12/67/50/625126750.db2.gz TZCPEOQIURTSGY-OKILXGFUSA-N 0 3 318.808 2.026 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)CCN1Cc1cccc(C#N)c1 ZINC000947289894 625128599 /nfs/dbraw/zinc/12/85/99/625128599.db2.gz BFSZVJXIQQCUGO-BBRMVZONSA-N 0 3 323.400 2.064 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NCc2ccccn2)C1 ZINC001023025403 625137677 /nfs/dbraw/zinc/13/76/77/625137677.db2.gz HZLIDKSVNFWDPQ-KDURUIRLSA-N 0 3 319.408 2.042 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001023184063 625177806 /nfs/dbraw/zinc/17/78/06/625177806.db2.gz BWZCZOLSRLYJGD-QLFBSQMISA-N 0 3 320.820 2.288 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC001027686143 634442736 /nfs/dbraw/zinc/44/27/36/634442736.db2.gz ULTBICFFACDCEL-QGZVFWFLSA-N 0 3 309.413 2.197 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001023368215 625241226 /nfs/dbraw/zinc/24/12/26/625241226.db2.gz JNDOJCPTFZMHHL-CQSZACIVSA-N 0 3 317.433 2.437 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2occc2Br)C1 ZINC000972559690 625250241 /nfs/dbraw/zinc/25/02/41/625250241.db2.gz GMOVCVSIQNGPJE-SNVBAGLBSA-N 0 3 313.195 2.374 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC000972560159 625251581 /nfs/dbraw/zinc/25/15/81/625251581.db2.gz RAROVJJRYXTBME-CYBMUJFWSA-N 0 3 304.438 2.050 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)noc2C2CC2)C[C@@H]1C ZINC000947555329 625264534 /nfs/dbraw/zinc/26/45/34/625264534.db2.gz JMOLJXORAYOKBK-WFASDCNBSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001023434309 625266922 /nfs/dbraw/zinc/26/69/22/625266922.db2.gz IAOKSKXEFBYMHZ-JTQLQIEISA-N 0 3 317.311 2.321 20 30 DEEDHN C#CCCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025212030 625267725 /nfs/dbraw/zinc/26/77/25/625267725.db2.gz GYFJXDNRYMCCGA-HZPDHXFCSA-N 0 3 318.461 2.470 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001025212598 625268658 /nfs/dbraw/zinc/26/86/58/625268658.db2.gz XYMAJWUYPYYOTC-DLBZAZTESA-N 0 3 314.433 2.201 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cncc(F)c1 ZINC001025217937 625276228 /nfs/dbraw/zinc/27/62/28/625276228.db2.gz HCIXQCKOIHAVCH-DLBZAZTESA-N 0 3 315.392 2.313 20 30 DEEDHN Cn1ccc(C(=O)N2CC[C@H](CNCc3ccccc3C#N)C2)c1 ZINC001026778803 625766109 /nfs/dbraw/zinc/76/61/09/625766109.db2.gz CXKQUIKGTSOUPX-OAHLLOKOSA-N 0 3 322.412 2.149 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001024438757 625775514 /nfs/dbraw/zinc/77/55/14/625775514.db2.gz WEDRBHSNSQRFNS-HUUCEWRRSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001024445039 625779058 /nfs/dbraw/zinc/77/90/58/625779058.db2.gz GOBYQMIHVMZIQB-FGTMMUONSA-N 0 3 311.429 2.179 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001027696260 634451252 /nfs/dbraw/zinc/45/12/52/634451252.db2.gz 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/nfs/dbraw/zinc/95/76/36/625957636.db2.gz BYVMGKHNWUTFCY-YESZJQIVSA-N 0 3 316.449 2.070 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024675997 625961498 /nfs/dbraw/zinc/96/14/98/625961498.db2.gz OTSUXSILQFUEDK-IBGZPJMESA-N 0 3 310.441 2.395 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3OCC3CC3)[C@@H]2C1 ZINC000979074615 634492275 /nfs/dbraw/zinc/49/22/75/634492275.db2.gz DLFLBJFAPCVMJN-NNZMDNLPSA-N 0 3 324.424 2.016 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c4ccc(C)cc34)[C@@H]2C1 ZINC000979088684 634496518 /nfs/dbraw/zinc/49/65/18/634496518.db2.gz NIZMXSNJYZENCZ-XGWQRUHWSA-N 0 3 321.424 2.407 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(N[C@H](C)c3cnccn3)C2)C1 ZINC000999374590 634570988 /nfs/dbraw/zinc/57/09/88/634570988.db2.gz OQNXRUHKAWDMJR-WLYUNCDWSA-N 0 3 314.433 2.473 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC000999623802 634648071 /nfs/dbraw/zinc/64/80/71/634648071.db2.gz YDIXFVKJQSJGOI-AWEZNQCLSA-N 0 3 318.808 2.281 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(C(F)F)c2)C1 ZINC000999611565 634645316 /nfs/dbraw/zinc/64/53/16/634645316.db2.gz UIUDVLZOJZTQPG-UHFFFAOYSA-N 0 3 318.755 2.223 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC000999876965 634698748 /nfs/dbraw/zinc/69/87/48/634698748.db2.gz QUSDNRJVZHOHKW-INIZCTEOSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001000093299 634739410 /nfs/dbraw/zinc/73/94/10/634739410.db2.gz VCEUSKMNUNWPCK-NVXWUHKLSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3csnc3C)CC2)CC1 ZINC001000127473 634758542 /nfs/dbraw/zinc/75/85/42/634758542.db2.gz JRSIPHCGWQTTDA-UHFFFAOYSA-N 0 3 303.431 2.059 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](N[C@H](C)c3n[nH]c(C)n3)C2)C1 ZINC001000138379 634763880 /nfs/dbraw/zinc/76/38/80/634763880.db2.gz SZOLWCCFSCJDMF-TZMCWYRMSA-N 0 3 317.437 2.111 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc4occc4[nH]3)CC2)CC1 ZINC001000168387 634775493 /nfs/dbraw/zinc/77/54/93/634775493.db2.gz ZLHBJXQHQMCNFG-UHFFFAOYSA-N 0 3 311.385 2.369 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)c1cccc(C)c1 ZINC000836324447 650079883 /nfs/dbraw/zinc/07/98/83/650079883.db2.gz OOQAZXHLQQEEGH-INIZCTEOSA-N 0 3 301.434 2.353 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001024714510 632944991 /nfs/dbraw/zinc/94/49/91/632944991.db2.gz XGKZRXXXMZXJEQ-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C(C)(C)C1 ZINC000974581124 633162110 /nfs/dbraw/zinc/16/21/10/633162110.db2.gz FEFKAMLHUSUGPQ-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2sccc2CN(C)C)C(C)(C)C1 ZINC000974647109 633193501 /nfs/dbraw/zinc/19/35/01/633193501.db2.gz QWNRMCRHZHFAAJ-AWEZNQCLSA-N 0 3 321.490 2.436 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(F)ccc2F)C(C)(C)C1 ZINC000974693414 633244595 /nfs/dbraw/zinc/24/45/95/633244595.db2.gz XJQFJPUIHMVRQH-OAHLLOKOSA-N 0 3 306.356 2.428 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1csc(C)n1 ZINC000733677181 633263916 /nfs/dbraw/zinc/26/39/16/633263916.db2.gz BREGLDRELGZCSJ-ZDUSSCGKSA-N 0 3 307.419 2.399 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C(C)(C)C1 ZINC000974846282 633331310 /nfs/dbraw/zinc/33/13/10/633331310.db2.gz MCEIVZJJHMZEAQ-CAOSSQGBSA-N 0 3 306.450 2.204 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001026988769 633334027 /nfs/dbraw/zinc/33/40/27/633334027.db2.gz OQKJSWNSECHSAW-GFCCVEGCSA-N 0 3 308.451 2.079 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001026995475 633341846 /nfs/dbraw/zinc/34/18/46/633341846.db2.gz MKWDYWXMGSHZHH-WBMJQRKESA-N 0 3 321.371 2.384 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C(C)(C)C1 ZINC000974876271 633345300 /nfs/dbraw/zinc/34/53/00/633345300.db2.gz AQJRNXHPOFMHLS-CQSZACIVSA-N 0 3 317.433 2.420 20 30 DEEDHN C[C@H]1CC(=NNC(=S)N(C)C)CCN1Cc1ccccc1 ZINC000734298996 633353701 /nfs/dbraw/zinc/35/37/01/633353701.db2.gz ICIVHOQOZXPTLW-ZDUSSCGKSA-N 0 3 304.463 2.463 20 30 DEEDHN CC(C)[C@H](F)C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001027007233 633354375 /nfs/dbraw/zinc/35/43/75/633354375.db2.gz WMOZRUORWBXPTF-YOEHRIQHSA-N 0 3 317.408 2.490 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3ocnc3C)C2)C1 ZINC001027051028 633378450 /nfs/dbraw/zinc/37/84/50/633378450.db2.gz PEGZGWWGFGAQMK-AWEZNQCLSA-N 0 3 303.406 2.277 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001027055297 633380912 /nfs/dbraw/zinc/38/09/12/633380912.db2.gz AWYYZICTPPZNFB-AWEZNQCLSA-N 0 3 315.392 2.246 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(CC[C@@H](C)F)CC2(C)C)c1 ZINC000975012870 633390026 /nfs/dbraw/zinc/39/00/26/633390026.db2.gz UPNOVUYBMJHLRX-CZUORRHYSA-N 0 3 317.408 2.251 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnnc3ccccc32)C(C)(C)C1 ZINC000975090741 633417143 /nfs/dbraw/zinc/41/71/43/633417143.db2.gz JFUAJIVQGUYYCR-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccncc2Cl)C(C)(C)C1 ZINC000975100335 633418700 /nfs/dbraw/zinc/41/87/00/633418700.db2.gz 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/nfs/dbraw/zinc/53/98/81/633539881.db2.gz SHJJBLZJLQDTJV-QGZVFWFLSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCOCC2)CC1 ZINC000997045250 633564121 /nfs/dbraw/zinc/56/41/21/633564121.db2.gz CBAIRHGMBDOFQT-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000997206787 633682084 /nfs/dbraw/zinc/68/20/84/633682084.db2.gz ACPMYZVJUNZTLW-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(OC)cc2F)CC1 ZINC000997206622 633682174 /nfs/dbraw/zinc/68/21/74/633682174.db2.gz XOCIYRLIHIZLKC-CYBMUJFWSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)cc2OC)CC1 ZINC000997400666 633754503 /nfs/dbraw/zinc/75/45/03/633754503.db2.gz WCHYLXMOOZGFOL-OAHLLOKOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccnn2-c2ccccc2)C1 ZINC001027466787 633835987 /nfs/dbraw/zinc/83/59/87/633835987.db2.gz RMAINYNPVVSKHP-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)cc(OC)c2C)C1 ZINC001027479991 633864276 /nfs/dbraw/zinc/86/42/76/633864276.db2.gz VWOOJBSUYNIGIU-INIZCTEOSA-N 0 3 314.429 2.482 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2csnc2C)CC1 ZINC000997553258 633866383 /nfs/dbraw/zinc/86/63/83/633866383.db2.gz VYTFNYNAETXDJM-LBPRGKRZSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2nc(Cl)sc2C)C1 ZINC001027488006 633876984 /nfs/dbraw/zinc/87/69/84/633876984.db2.gz IRMQQZFBVLEBOG-NSHDSACASA-N 0 3 311.838 2.275 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)onc2C2CC2)C1 ZINC001027495374 633890302 /nfs/dbraw/zinc/89/03/02/633890302.db2.gz VIJKHKODPPXSAX-AWEZNQCLSA-N 0 3 301.390 2.030 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(CNCc2c(F)cccc2F)CC1 ZINC000997619751 633901923 /nfs/dbraw/zinc/90/19/23/633901923.db2.gz YLEOYWXNJNNYJQ-LBPRGKRZSA-N 0 3 321.371 2.453 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C(C)(C)C1 ZINC000977334507 633924092 /nfs/dbraw/zinc/92/40/92/633924092.db2.gz LIPYITCETJFGEC-WFASDCNBSA-N 0 3 317.433 2.245 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccccc2COC)C(C)(C)C1 ZINC000977320819 633927469 /nfs/dbraw/zinc/92/74/69/633927469.db2.gz WJYRLGXDAVPXKL-QGZVFWFLSA-N 0 3 316.445 2.388 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C(C)(C)C1 ZINC000977389630 633959323 /nfs/dbraw/zinc/95/93/23/633959323.db2.gz OYPSGWFBWAGFKW-OAHLLOKOSA-N 0 3 317.433 2.366 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ncccc2F)CC1 ZINC000997813017 633996189 /nfs/dbraw/zinc/99/61/89/633996189.db2.gz LWYRDBXJSWPOGC-ZDUSSCGKSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C)cc2OC)CC1 ZINC000997839724 634005894 /nfs/dbraw/zinc/00/58/94/634005894.db2.gz WCHYLXMOOZGFOL-HNNXBMFYSA-N 0 3 314.429 2.467 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC[C@H](C)F)CC2(C)C)cn1 ZINC000977527856 634027060 /nfs/dbraw/zinc/02/70/60/634027060.db2.gz UCXXMECNNCWXOV-BBRMVZONSA-N 0 3 317.408 2.251 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)C(C)(C)C1 ZINC000977640245 634077829 /nfs/dbraw/zinc/07/78/29/634077829.db2.gz AWSBTTVEEJURJK-OAHLLOKOSA-N 0 3 316.449 2.314 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccnn2C(F)F)CC1 ZINC000998021343 634115645 /nfs/dbraw/zinc/11/56/45/634115645.db2.gz FQTUOICMYANJNJ-ZDUSSCGKSA-N 0 3 324.375 2.228 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000998033207 634117429 /nfs/dbraw/zinc/11/74/29/634117429.db2.gz HBNSTTLCXUPSDW-QGZVFWFLSA-N 0 3 324.428 2.464 20 30 DEEDHN C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998034293 634118197 /nfs/dbraw/zinc/11/81/97/634118197.db2.gz ABOFWYUDYFQBGT-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)CC1 ZINC000998034293 634118199 /nfs/dbraw/zinc/11/81/99/634118199.db2.gz ABOFWYUDYFQBGT-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccnnc2C)CC1 ZINC000998050732 634123591 /nfs/dbraw/zinc/12/35/91/634123591.db2.gz NQTRXHXYTAOYJM-MRXNPFEDSA-N 0 3 314.433 2.125 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000998069575 634131564 /nfs/dbraw/zinc/13/15/64/634131564.db2.gz DUHRUQDIBHLADO-KSZLIROESA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000998117060 634146266 /nfs/dbraw/zinc/14/62/66/634146266.db2.gz QGXZONWEJWDTFQ-OAHLLOKOSA-N 0 3 315.417 2.045 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(CC)on2)CC1 ZINC000998177406 634161606 /nfs/dbraw/zinc/16/16/06/634161606.db2.gz AHFJXAAZHGOFCO-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C3CC3)on2)CC1 ZINC000948656486 634203356 /nfs/dbraw/zinc/20/33/56/634203356.db2.gz ZMCAMRJVRLKQAP-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN CCC(=O)N1CCC[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC000998312876 634208516 /nfs/dbraw/zinc/20/85/16/634208516.db2.gz LZUMYEIYDWXCIR-HNNXBMFYSA-N 0 3 301.390 2.057 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 ZINC001027594852 634239529 /nfs/dbraw/zinc/23/95/29/634239529.db2.gz PYNJUSWCGCIJGJ-QGZVFWFLSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001027600305 634251498 /nfs/dbraw/zinc/25/14/98/634251498.db2.gz BMYUUMSWIPMAJK-DOTOQJQBSA-N 0 3 306.450 2.280 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001027602112 634255465 /nfs/dbraw/zinc/25/54/65/634255465.db2.gz LGRXXQOZJOHCCS-KRWDZBQOSA-N 0 3 314.404 2.413 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(CCC)s3)[C@@H]2C1 ZINC000978251946 634256932 /nfs/dbraw/zinc/25/69/32/634256932.db2.gz GUFPYJFMWXIINL-QKDCVEJESA-N 0 3 302.443 2.241 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2cccs2)C1 ZINC001027601236 634259013 /nfs/dbraw/zinc/25/90/13/634259013.db2.gz VBUDQPQAJARECT-HUUCEWRRSA-N 0 3 304.459 2.483 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(C)C)nc3)[C@@H]2C1 ZINC000978260229 634260905 /nfs/dbraw/zinc/26/09/05/634260905.db2.gz YRBCQLPMHHQSFT-OSYLJGHBSA-N 0 3 311.429 2.136 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3oc(C(F)F)cc3C)[C@@H]2C1 ZINC000978320382 634281915 /nfs/dbraw/zinc/28/19/15/634281915.db2.gz JTNCMCRQOPJDFA-XYYAHUGASA-N 0 3 322.355 2.457 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sc(CC)nc2C)C1 ZINC001027612176 634282549 /nfs/dbraw/zinc/28/25/49/634282549.db2.gz CCMHWYVINSMJGI-ZDUSSCGKSA-N 0 3 305.447 2.184 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)C[C@@H]1C ZINC000947947626 634292050 /nfs/dbraw/zinc/29/20/50/634292050.db2.gz HLEQLETWCARIGL-GJZGRUSLSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)c(F)ccc3Cl)[C@@H]2C1 ZINC000978393662 634299091 /nfs/dbraw/zinc/29/90/91/634299091.db2.gz PPZDEHRIAXJBTG-XYYAHUGASA-N 0 3 320.795 2.328 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001027642225 634370869 /nfs/dbraw/zinc/37/08/69/634370869.db2.gz UDRJAAPFXYQUPN-AWEZNQCLSA-N 0 3 310.401 2.041 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001027881336 634853022 /nfs/dbraw/zinc/85/30/22/634853022.db2.gz NUJPKTOUJQWTFY-MRXNPFEDSA-N 0 3 302.422 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001027882594 634855317 /nfs/dbraw/zinc/85/53/17/634855317.db2.gz SOJIQKQKSLCQRM-CQSZACIVSA-N 0 3 303.406 2.153 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001027882822 634855922 /nfs/dbraw/zinc/85/59/22/634855922.db2.gz WSRBFLAHJFMFBR-CHWSQXEVSA-N 0 3 322.840 2.163 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC001027883449 634859616 /nfs/dbraw/zinc/85/96/16/634859616.db2.gz MACYJVFEZGRZFU-OAHLLOKOSA-N 0 3 315.417 2.153 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)Cc3cnoc3)C[C@@H]2C1 ZINC000980151580 634864651 /nfs/dbraw/zinc/86/46/51/634864651.db2.gz DDMIELZHAXQZTN-RRFJBIMHSA-N 0 3 323.824 2.186 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]nc3C)C[C@H]2C1 ZINC000980163995 634872180 /nfs/dbraw/zinc/87/21/80/634872180.db2.gz SLQSFYUBDYWDPJ-MELADBBJSA-N 0 3 322.840 2.301 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccnnc3)C[C@@H]2C1 ZINC000980181450 634877378 /nfs/dbraw/zinc/87/73/78/634877378.db2.gz 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311.385 2.293 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(Cl)cn2C)CC1 ZINC001001609128 635531920 /nfs/dbraw/zinc/53/19/20/635531920.db2.gz JQGXLPLRSCDMMA-UHFFFAOYSA-N 0 3 307.825 2.144 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc3ncccc3o2)CC1 ZINC001001650857 635535433 /nfs/dbraw/zinc/53/54/33/635535433.db2.gz SPODEERNLRUHIL-UHFFFAOYSA-N 0 3 311.385 2.293 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC001001702056 635543382 /nfs/dbraw/zinc/54/33/82/635543382.db2.gz WDPVWFKVCLCTPU-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC000981601352 635548427 /nfs/dbraw/zinc/54/84/27/635548427.db2.gz CRBHVFAAWULUHH-FUHWJXTLSA-N 0 3 306.450 2.446 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(OCC)c(C)c2)CC1 ZINC001001906344 635580514 /nfs/dbraw/zinc/58/05/14/635580514.db2.gz ZDQBNIWJJCMLLF-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000981708149 635607001 /nfs/dbraw/zinc/60/70/01/635607001.db2.gz JTJZIPGNLTYPJM-UHFFFAOYSA-N 0 3 322.412 2.248 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnn(CCCC)c2C)CC1 ZINC001002029462 635607811 /nfs/dbraw/zinc/60/78/11/635607811.db2.gz IMNBXFKTSNIOMM-UHFFFAOYSA-N 0 3 316.449 2.067 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(Cl)n(C)n3)C2)C1 ZINC000981883144 635711460 /nfs/dbraw/zinc/71/14/60/635711460.db2.gz FLBRFMWUZFRCBP-UHFFFAOYSA-N 0 3 322.840 2.188 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@]34CCO[C@@H]3CCCC4)C2)C1 ZINC000981886971 635716723 /nfs/dbraw/zinc/71/67/23/635716723.db2.gz KKSHZJZZURGLLP-VQIMIIECSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CC34CC(OCC)C4)C2)C1 ZINC000982009169 635808343 /nfs/dbraw/zinc/80/83/43/635808343.db2.gz IGZFDSDVWCCJSJ-KOHRHEQBSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001028205128 635823649 /nfs/dbraw/zinc/82/36/49/635823649.db2.gz HQZJKMMXUBAENG-BBRMVZONSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1 ZINC000982067857 635846110 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ZINC001028905951 636836896 /nfs/dbraw/zinc/83/68/96/636836896.db2.gz YTMVGNBNXNJMJV-OAHLLOKOSA-N 0 3 323.396 2.417 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001028931707 636867178 /nfs/dbraw/zinc/86/71/78/636867178.db2.gz WBUFZSSBHLPSCY-AWEZNQCLSA-N 0 3 302.418 2.479 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2csc3c2CCCC3)C1 ZINC001028972353 636913286 /nfs/dbraw/zinc/91/32/86/636913286.db2.gz JSYIJZPGHYKUKH-ZDUSSCGKSA-N 0 3 302.443 2.312 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001028977389 636920148 /nfs/dbraw/zinc/92/01/48/636920148.db2.gz YILXECBQSXLFMA-MRXNPFEDSA-N 0 3 301.434 2.371 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001028988124 636933504 /nfs/dbraw/zinc/93/35/04/636933504.db2.gz DLGUQFVUWWFYDF-OAHLLOKOSA-N 0 3 316.449 2.022 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001029003285 636945474 /nfs/dbraw/zinc/94/54/74/636945474.db2.gz KHRNPPCLVQMMBN-LSDHHAIUSA-N 0 3 313.873 2.051 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cn(CCC(C)C)nn2)CC1 ZINC001005987158 637041334 /nfs/dbraw/zinc/04/13/34/637041334.db2.gz NPNNUNQONBOBJG-UHFFFAOYSA-N 0 3 319.453 2.047 20 30 DEEDHN C=CC(C)(C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000923391992 637153291 /nfs/dbraw/zinc/15/32/91/637153291.db2.gz RBHZORLIUFLNAT-OAHLLOKOSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928438845 637236485 /nfs/dbraw/zinc/23/64/85/637236485.db2.gz MYEKRSHAVMOVSP-DOMZBBRYSA-N 0 3 304.390 2.082 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC([C@@H](C)NCc2nccn2C)CC1 ZINC001029125823 637265957 /nfs/dbraw/zinc/26/59/57/637265957.db2.gz ITBLDHVDCHJGDM-CQSZACIVSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnn(CC(C)C)c2)CC1 ZINC001006196002 637272168 /nfs/dbraw/zinc/27/21/68/637272168.db2.gz HOSOARKFTGSPAS-UHFFFAOYSA-N 0 3 304.438 2.262 20 30 DEEDHN Cc1cc(N)nc(NC2CCN(c3ccccc3C#N)CC2)n1 ZINC000894926797 637334566 /nfs/dbraw/zinc/33/45/66/637334566.db2.gz ZAJZSMLNHNMUTH-UHFFFAOYSA-N 0 3 308.389 2.320 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1c(C)cccc1C ZINC000895057607 637440406 /nfs/dbraw/zinc/44/04/06/637440406.db2.gz VPVQTWMDROAPIV-UHFFFAOYSA-N 0 3 301.434 2.400 20 30 DEEDHN C=CCONC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000838705704 637635273 /nfs/dbraw/zinc/63/52/73/637635273.db2.gz GLQSBEJXLYZMPJ-OAHLLOKOSA-N 0 3 303.406 2.410 20 30 DEEDHN C#CCSCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000141863126 637673580 /nfs/dbraw/zinc/67/35/80/637673580.db2.gz IANZLLSZINAFCO-UHFFFAOYSA-N 0 3 309.479 2.013 20 30 DEEDHN CC(C)(C)OC(=O)NCC1(CNCc2ccc(C#N)cn2)CC1 ZINC000839030933 637760764 /nfs/dbraw/zinc/76/07/64/637760764.db2.gz XMCMGLQGDDJVQO-UHFFFAOYSA-N 0 3 316.405 2.348 20 30 DEEDHN C#CCCN1CCN(CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000839526115 637894394 /nfs/dbraw/zinc/89/43/94/637894394.db2.gz BMOWPWDWMGQSSF-UHFFFAOYSA-N 0 3 317.408 2.104 20 30 DEEDHN CCCN(CC(=O)NCCC#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000740887908 637914383 /nfs/dbraw/zinc/91/43/83/637914383.db2.gz HRZHBNYLTAZPJS-JKSUJKDBSA-N 0 3 321.465 2.466 20 30 DEEDHN CN(C(=O)c1ccccc1SCC#N)[C@@H]1CCCN(C)C1 ZINC000741720160 638006627 /nfs/dbraw/zinc/00/66/27/638006627.db2.gz PXFSALIGUMUMQF-CYBMUJFWSA-N 0 3 303.431 2.468 20 30 DEEDHN N#Cc1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)c(CO)c1 ZINC000895565449 638092193 /nfs/dbraw/zinc/09/21/93/638092193.db2.gz UAUWMYPYJISCKO-CVEARBPZSA-N 0 3 303.431 2.042 20 30 DEEDHN C#CCC1(NCc2ccc(/C=C\C(=O)OC)o2)CCOCC1 ZINC000895895171 638249425 /nfs/dbraw/zinc/24/94/25/638249425.db2.gz VBNUKVWWZSAQSR-SREVYHEPSA-N 0 3 303.358 2.128 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H](CNCc3ccn(C)n3)C2)CC1 ZINC000984750495 638605497 /nfs/dbraw/zinc/60/54/97/638605497.db2.gz WTFXPXIKVPVOFV-CZIWCDLHSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000749025486 638609017 /nfs/dbraw/zinc/60/90/17/638609017.db2.gz HGEFNPJOLWTGFZ-ZDUSSCGKSA-N 0 3 314.341 2.461 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000985140586 639073971 /nfs/dbraw/zinc/07/39/71/639073971.db2.gz OOVVCEZPFLDAOW-PPUGGXLSSA-N 0 3 322.412 2.113 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC2CC2)cn1 ZINC001029558236 639098943 /nfs/dbraw/zinc/09/89/43/639098943.db2.gz FOFZLRSZBUPUCY-HDICACEKSA-N 0 3 309.413 2.152 20 30 DEEDHN CN(C(=O)c1[nH]c2ccccc2c1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000896990094 639110976 /nfs/dbraw/zinc/11/09/76/639110976.db2.gz ZWUKWZJYVJQSSU-CYBMUJFWSA-N 0 3 308.385 2.348 20 30 DEEDHN COc1ccc(C#N)cc1CN(C)C1CCN(C(C)=O)CC1 ZINC000985192215 639138445 /nfs/dbraw/zinc/13/84/45/639138445.db2.gz GUNREZDQIFDIFL-UHFFFAOYSA-N 0 3 301.390 2.010 20 30 DEEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)C(F)F)C1 ZINC001029614415 639342922 /nfs/dbraw/zinc/34/29/22/639342922.db2.gz RHIKVLCHBHFOMY-SNVBAGLBSA-N 0 3 313.373 2.165 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)nc1 ZINC000728812676 639431710 /nfs/dbraw/zinc/43/17/10/639431710.db2.gz KBSHCVZQETUZRX-UHFFFAOYSA-N 0 3 321.424 2.309 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CCCCCO)CC1 ZINC000755309153 639540769 /nfs/dbraw/zinc/54/07/69/639540769.db2.gz IBHMBRLLDVGWFU-MRXNPFEDSA-N 0 3 301.434 2.399 20 30 DEEDHN C=CCOCCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897349473 639543036 /nfs/dbraw/zinc/54/30/36/639543036.db2.gz RJFBZUVGJWABKH-MRXNPFEDSA-N 0 3 306.406 2.053 20 30 DEEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000756232692 639637624 /nfs/dbraw/zinc/63/76/24/639637624.db2.gz WGHQWSOEVKPBBU-FZMZJTMJSA-N 0 3 304.346 2.015 20 30 DEEDHN C[C@H]1[C@H](NCc2ccc(C#N)c(F)c2)CCN1C(=O)C1CC1 ZINC000985855252 639666281 /nfs/dbraw/zinc/66/62/81/639666281.db2.gz FIXYDBDMNQXKFX-MEDUHNTESA-N 0 3 301.365 2.186 20 30 DEEDHN CCCC(=O)N1CC[C@H](NCc2cc(C#N)ccc2OC)[C@H]1C ZINC000985858187 639666794 /nfs/dbraw/zinc/66/67/94/639666794.db2.gz NRPFJMMBGUDQOD-CJNGLKHVSA-N 0 3 315.417 2.446 20 30 DEEDHN CC(=NNC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000757599109 639856319 /nfs/dbraw/zinc/85/63/19/639856319.db2.gz QQXJBQKUMLOTFS-UHFFFAOYSA-N 0 3 303.406 2.016 20 30 DEEDHN Cc1nc(C)c(CN(C)CC2CCN(C(=O)[C@@H](C)C#N)CC2)o1 ZINC001029946775 639921475 /nfs/dbraw/zinc/92/14/75/639921475.db2.gz VTDHVFBJCVNDIJ-LBPRGKRZSA-N 0 3 318.421 2.122 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)c1cocn1 ZINC000988303318 640390538 /nfs/dbraw/zinc/39/05/38/640390538.db2.gz NDLXVCWAYCWBTI-MNOVXSKESA-N 0 3 316.386 2.001 20 30 DEEDHN CCCCCCC[C@H](C)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000763011383 640490668 /nfs/dbraw/zinc/49/06/68/640490668.db2.gz KDDVTRSTEZEYTL-DOTOQJQBSA-N 0 3 313.486 2.349 20 30 DEEDHN N#CC(C(=O)[C@H]1CCc2n[nH]cc2C1)c1nc2ccccc2[nH]1 ZINC000763924198 640585793 /nfs/dbraw/zinc/58/57/93/640585793.db2.gz MLYMGCFLXCYKAY-JQWIXIFHSA-N 0 3 305.341 2.267 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC000989070219 640717008 /nfs/dbraw/zinc/71/70/08/640717008.db2.gz RPMBOBWEPAPUGC-UKRRQHHQSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2c(C)cccc2Cl)C1 ZINC000989092316 640721430 /nfs/dbraw/zinc/72/14/30/640721430.db2.gz DUNGAGWEOCXBPE-KBPBESRZSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(C(F)F)c2)C1 ZINC000989168755 640741946 /nfs/dbraw/zinc/74/19/46/640741946.db2.gz CERHYTJAVDQGJI-DOMZBBRYSA-N 0 3 306.356 2.379 20 30 DEEDHN C=CCc1cc(CN[C@@H]2COCC[C@H]2OC)cc(OC)c1O ZINC000897891936 640965576 /nfs/dbraw/zinc/96/55/76/640965576.db2.gz YRVULZYJZFXWNG-HUUCEWRRSA-N 0 3 307.390 2.023 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000989484959 641117186 /nfs/dbraw/zinc/11/71/86/641117186.db2.gz HEIFJYVDZCIPAZ-YPMHNXCESA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000989555785 641144195 /nfs/dbraw/zinc/14/41/95/641144195.db2.gz IKFJLJKBPBODHI-UHFFFAOYSA-N 0 3 309.413 2.268 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2sc(CC3CC3)nc2C)C1 ZINC000989615895 641171197 /nfs/dbraw/zinc/17/11/97/641171197.db2.gz RTNZMYBLQSCWCK-BXUZGUMPSA-N 0 3 317.458 2.230 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C3CCCCC3)c2)C1 ZINC000989652061 641183982 /nfs/dbraw/zinc/18/39/82/641183982.db2.gz HADKQVAXJNHILQ-GOEBONIOSA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC000989660015 641185410 /nfs/dbraw/zinc/18/54/10/641185410.db2.gz FNOHUXVBYKAHCD-GDBMZVCRSA-N 0 3 316.449 2.063 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3c(C)noc3C)CCC[C@@H]12 ZINC000989944771 641300333 /nfs/dbraw/zinc/30/03/33/641300333.db2.gz FVHBDKZTXFCBTH-RHSMWYFYSA-N 0 3 301.390 2.042 20 30 DEEDHN CN(CCOc1ccccc1C#N)C[C@@H](O)c1cccc(C#N)c1 ZINC000842151679 650660650 /nfs/dbraw/zinc/66/06/50/650660650.db2.gz XEVRTTKKOFRCGL-GOSISDBHSA-N 0 3 321.380 2.474 20 30 DEEDHN CN(CCOc1ccccc1C#N)C[C@H](O)c1cccc(C#N)c1 ZINC000842151680 650660428 /nfs/dbraw/zinc/66/04/28/650660428.db2.gz XEVRTTKKOFRCGL-SFHVURJKSA-N 0 3 321.380 2.474 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000730109124 641475107 /nfs/dbraw/zinc/47/51/07/641475107.db2.gz FJHFSPKGYPVGAO-UHFFFAOYSA-N 0 3 306.435 2.404 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCc4c[nH]nc43)CCC[C@@H]12 ZINC000990682191 641598897 /nfs/dbraw/zinc/59/88/97/641598897.db2.gz GUIHHGURXHUZCN-HDMKZQKVSA-N 0 3 314.433 2.129 20 30 DEEDHN CN(CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000772647527 641669115 /nfs/dbraw/zinc/66/91/15/641669115.db2.gz ZUUVOSUSVOWGSE-INIZCTEOSA-N 0 3 313.401 2.281 20 30 DEEDHN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000842289372 650695750 /nfs/dbraw/zinc/69/57/50/650695750.db2.gz QOYYALUHQFLCIW-LSDHHAIUSA-N 0 3 302.374 2.073 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000842292634 650696815 /nfs/dbraw/zinc/69/68/15/650696815.db2.gz VANRMOMAQIFFBO-CABCVRRESA-N 0 3 312.369 2.320 20 30 DEEDHN CC(C)N(C)CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F ZINC000899096232 641929989 /nfs/dbraw/zinc/92/99/89/641929989.db2.gz RSQFSTPQZSJWBX-UHFFFAOYSA-N 0 3 312.229 2.276 20 30 DEEDHN CC#CCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105228 641936042 /nfs/dbraw/zinc/93/60/42/641936042.db2.gz VQUGJXWCTXTXPO-QGZVFWFLSA-N 0 3 316.449 2.020 20 30 DEEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101120 641941936 /nfs/dbraw/zinc/94/19/36/641941936.db2.gz FDOADZHIOPHLCK-CZUORRHYSA-N 0 3 304.438 2.229 20 30 DEEDHN CCCCCCCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000774766362 641961873 /nfs/dbraw/zinc/96/18/73/641961873.db2.gz HNIORGLNHGMQCK-OAHLLOKOSA-N 0 3 323.481 2.230 20 30 DEEDHN C=C(C)C[C@@H](CO)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000899234042 642005707 /nfs/dbraw/zinc/00/57/07/642005707.db2.gz DLSWVYNHDFDMNR-RDJZCZTQSA-N 0 3 320.433 2.178 20 30 DEEDHN C#C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCCO1 ZINC000775435213 642043692 /nfs/dbraw/zinc/04/36/92/642043692.db2.gz UHCCANNXTZVGPY-JKSUJKDBSA-N 0 3 301.390 2.051 20 30 DEEDHN C#C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000775572941 642061689 /nfs/dbraw/zinc/06/16/89/642061689.db2.gz DPWQFFHQLFDZHC-QLFBSQMISA-N 0 3 308.422 2.156 20 30 DEEDHN C#C[C@H](NC[C@H](O)COc1c(C)ccc(C)c1C)[C@H]1CCCO1 ZINC000775790001 642096149 /nfs/dbraw/zinc/09/61/49/642096149.db2.gz OWKKADROTIZEMQ-OKZBNKHCSA-N 0 3 317.429 2.122 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837045 642103757 /nfs/dbraw/zinc/10/37/57/642103757.db2.gz QTYNPUXZRQNICX-GJZGRUSLSA-N 0 3 316.449 2.411 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000776516352 642179713 /nfs/dbraw/zinc/17/97/13/642179713.db2.gz MIGKSRXYXPGRGK-RWMBFGLXSA-N 0 3 316.357 2.158 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)nn2C)nn1 ZINC000899885851 642202429 /nfs/dbraw/zinc/20/24/29/642202429.db2.gz JFRPTYOYGSILDQ-WMLDXEAASA-N 0 3 314.437 2.007 20 30 DEEDHN CC(=O)CCc1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000777363447 642257456 /nfs/dbraw/zinc/25/74/56/642257456.db2.gz TZBOJLUEBCHVJZ-MRXNPFEDSA-N 0 3 323.352 2.253 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H](F)Cc1ccccc1 ZINC000778293697 642367366 /nfs/dbraw/zinc/36/73/66/642367366.db2.gz GZPSULFAZFMWTE-UONOGXRCSA-N 0 3 311.316 2.310 20 30 DEEDHN CN(C)CCn1nccc1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000900722885 642453046 /nfs/dbraw/zinc/45/30/46/642453046.db2.gz KWCUAXMWNVHFCL-QGZVFWFLSA-N 0 3 317.437 2.037 20 30 DEEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCO[C@H](C)C2)c1 ZINC000778999683 642453051 /nfs/dbraw/zinc/45/30/51/642453051.db2.gz JRNGEVGCGMFFNP-GDBMZVCRSA-N 0 3 300.402 2.353 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1 ZINC000780304716 642610429 /nfs/dbraw/zinc/61/04/29/642610429.db2.gz AGEMCWJILRNIAE-PNBKFKSVSA-N 0 3 312.369 2.321 20 30 DEEDHN N#CCOc1ccc(Cl)cc1CN(CCO)C1CCOCC1 ZINC000781984201 642807715 /nfs/dbraw/zinc/80/77/15/642807715.db2.gz XYRGUFRIYURXKL-UHFFFAOYSA-N 0 3 324.808 2.216 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnn3CC(C)C)CCC[C@H]12 ZINC000990951162 642919829 /nfs/dbraw/zinc/91/98/29/642919829.db2.gz AOKSKAOLANPOTC-WMZOPIPTSA-N 0 3 316.449 2.452 20 30 DEEDHN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(C#N)ccn1 ZINC000902818706 643150381 /nfs/dbraw/zinc/15/03/81/643150381.db2.gz OUIKNMFJVNIGHI-DZGCQCFKSA-N 0 3 310.405 2.006 20 30 DEEDHN C[C@H](NCC(C)(C)[C@]1(O)CCCOC1)c1cc(C#N)ccn1 ZINC000903056263 643232434 /nfs/dbraw/zinc/23/24/34/643232434.db2.gz KDBRHMZQEURXGC-GUYCJALGSA-N 0 3 303.406 2.172 20 30 DEEDHN C[C@H](NC[C@]1(c2cnn(C)c2)CCCO1)c1cc(C#N)ccn1 ZINC000903359888 643327289 /nfs/dbraw/zinc/32/72/89/643327289.db2.gz TZFYVFYKKDBANY-GUYCJALGSA-N 0 3 311.389 2.043 20 30 DEEDHN CCN1CCC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)C1=O ZINC000903392537 643331734 /nfs/dbraw/zinc/33/17/34/643331734.db2.gz UIVXEAFLRFSVTF-XJKSGUPXSA-N 0 3 301.390 2.250 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000786393178 643361129 /nfs/dbraw/zinc/36/11/29/643361129.db2.gz GGHGKPIDCIYOSE-SFHVURJKSA-N 0 3 307.397 2.007 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H]2CCOC2)c1 ZINC000786538726 643381315 /nfs/dbraw/zinc/38/13/15/643381315.db2.gz BNEKELANYZAVKX-GDBMZVCRSA-N 0 3 314.385 2.137 20 30 DEEDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1(C#N)CCC1 ZINC000786785277 643408675 /nfs/dbraw/zinc/40/86/75/643408675.db2.gz LUSMVSVQJPTVQC-ZIAGYGMSSA-N 0 3 314.433 2.354 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COCc2cccnc2)c1 ZINC000805854061 643546230 /nfs/dbraw/zinc/54/62/30/643546230.db2.gz PUFPMRAFPMAVNX-INIZCTEOSA-N 0 3 323.352 2.254 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCOCC1 ZINC000128956305 643741848 /nfs/dbraw/zinc/74/18/48/643741848.db2.gz YCZMRVISCQPZDQ-CYBMUJFWSA-N 0 3 316.357 2.159 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C2CC(CC(N)=O)C2)c([O-])c1 ZINC000905003699 643761201 /nfs/dbraw/zinc/76/12/01/643761201.db2.gz ZRSYLGKLTRKKNW-YBFXNURJSA-N 0 3 303.406 2.311 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2cccc3c2OCC3)cc1 ZINC000905617718 643981354 /nfs/dbraw/zinc/98/13/54/643981354.db2.gz RKRMSPLRBVJQEZ-KRWDZBQOSA-N 0 3 324.380 2.023 20 30 DEEDHN C#CCOc1cccc(Cl)c1CN1CC[C@@](C)(C(N)=O)C1 ZINC000793391237 644244670 /nfs/dbraw/zinc/24/46/70/644244670.db2.gz SZDVIOGYBHYBOP-MRXNPFEDSA-N 0 3 306.793 2.049 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906971050 644403876 /nfs/dbraw/zinc/40/38/76/644403876.db2.gz HTWZPWXMLCYWMC-UGYCJWBPSA-N 0 3 301.434 2.305 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000907099099 644437668 /nfs/dbraw/zinc/43/76/68/644437668.db2.gz DJMPFXGOVIMNFB-AWEZNQCLSA-N 0 3 320.458 2.019 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3cnccc3C)CCC[C@H]12 ZINC000991116131 644771515 /nfs/dbraw/zinc/77/15/15/644771515.db2.gz ITRNIZWWCTWZOE-HKUYNNGSSA-N 0 3 311.429 2.069 20 30 DEEDHN N#CC(C(=O)CCC(F)F)C(=O)NCc1ccc(F)c(F)c1 ZINC000796885038 644807908 /nfs/dbraw/zinc/80/79/08/644807908.db2.gz MSXAYKCKPYTHPN-SECBINFHSA-N 0 3 316.254 2.335 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCN(C)C[C@@H]2CC)cc1 ZINC000798141364 644971258 /nfs/dbraw/zinc/97/12/58/644971258.db2.gz IRDBVVPOURBYCA-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN Cc1ccc([C@H](O)[C@@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000843409117 650968210 /nfs/dbraw/zinc/96/82/10/650968210.db2.gz PFMQHLOSPYGUBL-CXAGYDPISA-N 0 3 321.384 2.121 20 30 DEEDHN C#CC[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000843423257 650972428 /nfs/dbraw/zinc/97/24/28/650972428.db2.gz BEMCZEDWQDPDAH-CQSZACIVSA-N 0 3 305.447 2.215 20 30 DEEDHN N#CC1(CCCN2CCCC[C@@H]2C2OCCO2)CCOCC1 ZINC000799119956 645128617 /nfs/dbraw/zinc/12/86/17/645128617.db2.gz HLVXILDXZXGRPW-OAHLLOKOSA-N 0 3 308.422 2.314 20 30 DEEDHN CCN1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000910294202 645407363 /nfs/dbraw/zinc/40/73/63/645407363.db2.gz DWQVYLABDUPIAF-LSDHHAIUSA-N 0 3 315.417 2.268 20 30 DEEDHN CCN1C[C@H](CN(C)CCO[C@@H](C)C#N)Oc2ccccc21 ZINC000801911431 645460551 /nfs/dbraw/zinc/46/05/51/645460551.db2.gz KPQJUFMOARBCSY-GJZGRUSLSA-N 0 3 303.406 2.134 20 30 DEEDHN CCN(CCO[C@@H](C)C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000801917452 645461448 /nfs/dbraw/zinc/46/14/48/645461448.db2.gz DDPPQVGZMAWQTL-AWEZNQCLSA-N 0 3 303.406 2.139 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000801924617 645462511 /nfs/dbraw/zinc/46/25/11/645462511.db2.gz RQQCQEAGBLRBTR-JKSUJKDBSA-N 0 3 315.417 2.057 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc4cccn4cn3)CCC[C@H]12 ZINC000991331678 645717881 /nfs/dbraw/zinc/71/78/81/645717881.db2.gz NSYFIIQURIGKGJ-FUHWJXTLSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000912436619 646064029 /nfs/dbraw/zinc/06/40/29/646064029.db2.gz RKFQKFVGRGGSEI-MRXNPFEDSA-N 0 3 315.417 2.113 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000912486354 646077716 /nfs/dbraw/zinc/07/77/16/646077716.db2.gz SZKAAFWGXOERKU-MRXNPFEDSA-N 0 3 306.406 2.346 20 30 DEEDHN CCN(CC)CCS(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC000810052661 646317508 /nfs/dbraw/zinc/31/75/08/646317508.db2.gz XXNHCBXENYEHEA-UHFFFAOYSA-N 0 3 310.419 2.226 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810530301 646371855 /nfs/dbraw/zinc/37/18/55/646371855.db2.gz AEIDZSFXKZQMIT-RYUDHWBXSA-N 0 3 318.398 2.486 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)c1 ZINC000810529693 646372226 /nfs/dbraw/zinc/37/22/26/646372226.db2.gz MAXXBTVIYMBXHD-FZMZJTMJSA-N 0 3 318.398 2.486 20 30 DEEDHN Cc1cc(C)cc(OCCC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000129532833 646375880 /nfs/dbraw/zinc/37/58/80/646375880.db2.gz ROJHDGHCISXJRH-OAHLLOKOSA-N 0 3 300.358 2.060 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000156525787 646429191 /nfs/dbraw/zinc/42/91/91/646429191.db2.gz PZVADRRAEAKYCP-STQMWFEESA-N 0 3 306.387 2.484 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(OC)c3)CCC[C@@H]12 ZINC000991537823 646476507 /nfs/dbraw/zinc/47/65/07/646476507.db2.gz NFGRGCQSNBATPK-PBHICJAKSA-N 0 3 301.390 2.003 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)C[C@@H]1C ZINC000947314709 646518039 /nfs/dbraw/zinc/51/80/39/646518039.db2.gz HLMWQAIENYUYSJ-LSDHHAIUSA-N 0 3 316.449 2.214 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccn4nccc34)CCC[C@H]12 ZINC000991597880 646530038 /nfs/dbraw/zinc/53/00/38/646530038.db2.gz RJZIGIIZDICEGZ-PKOBYXMFSA-N 0 3 322.412 2.084 20 30 DEEDHN C[C@H]1C(N=Nc2ncnc3[nH]cnc32)CCN1Cc1ccccc1 ZINC000811639113 646553308 /nfs/dbraw/zinc/55/33/08/646553308.db2.gz OSSVPPZEJACYNH-LBPRGKRZSA-N 0 3 321.388 2.415 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000811892844 646589352 /nfs/dbraw/zinc/58/93/52/646589352.db2.gz YVCJGDJQVCQPFI-HUUCEWRRSA-N 0 3 305.809 2.408 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(OC)nc3)CCC[C@H]12 ZINC000991709718 646593123 /nfs/dbraw/zinc/59/31/23/646593123.db2.gz LESDDLQQUGUUGP-YOEHRIQHSA-N 0 3 301.390 2.003 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(Cl)n(C)n3)CCC[C@@H]12 ZINC000991753922 646611867 /nfs/dbraw/zinc/61/18/67/646611867.db2.gz PVQXAMDXXCTQOR-CZUORRHYSA-N 0 3 322.840 2.376 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014918305 646635955 /nfs/dbraw/zinc/63/59/55/646635955.db2.gz YMTVWFIUSLVGOD-HNNXBMFYSA-N 0 3 304.821 2.405 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCCOC1 ZINC000171035386 646682890 /nfs/dbraw/zinc/68/28/90/646682890.db2.gz YCSCVGIAZZXKRL-ZWNOBZJWSA-N 0 3 306.749 2.414 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCCOC1 ZINC000171035394 646683069 /nfs/dbraw/zinc/68/30/69/646683069.db2.gz YCSCVGIAZZXKRL-GXFFZTMASA-N 0 3 306.749 2.414 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2sc(C)nc2C)C[C@H]1C ZINC000948006052 646689945 /nfs/dbraw/zinc/68/99/45/646689945.db2.gz CZQCPRKVEFMTQQ-RISCZKNCSA-N 0 3 305.447 2.366 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccn(C(C)C)n2)CC1 ZINC000948829668 646696735 /nfs/dbraw/zinc/69/67/35/646696735.db2.gz SMGXISRAIVUTIT-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN CC(=O)N1CCC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000171567637 646705934 /nfs/dbraw/zinc/70/59/34/646705934.db2.gz MEHBZEXUQZROMV-STQMWFEESA-N 0 3 311.341 2.263 20 30 DEEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000173323626 646765364 /nfs/dbraw/zinc/76/53/64/646765364.db2.gz RLXFZSRVFVBEPC-UHFFFAOYSA-N 0 3 305.397 2.312 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3cncc(C)c3)CCC[C@H]12 ZINC000992026841 646833148 /nfs/dbraw/zinc/83/31/48/646833148.db2.gz BMZPVUPGWMZIES-HKUYNNGSSA-N 0 3 311.429 2.069 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)C3CCC(OC)CC3)CCC[C@H]12 ZINC000992153664 646875191 /nfs/dbraw/zinc/87/51/91/646875191.db2.gz NDIUASZWOPKCNT-UNGSAITNSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccncc3Cl)CCC[C@@H]12 ZINC000992195171 646897716 /nfs/dbraw/zinc/89/77/16/646897716.db2.gz ZQAOAWJTALFZEO-WBVHZDCISA-N 0 3 317.820 2.024 20 30 DEEDHN COc1ccc(C(C)=NNC[C@H](C)O)cc1CN1CCCCC1 ZINC000814961529 646951996 /nfs/dbraw/zinc/95/19/96/646951996.db2.gz LTSKAYNBYFOHSZ-AWEZNQCLSA-N 0 3 319.449 2.376 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(C(F)F)c3)CCC[C@H]12 ZINC000992359533 646957934 /nfs/dbraw/zinc/95/79/34/646957934.db2.gz FOWTZOBRKHGQIM-WFASDCNBSA-N 0 3 310.348 2.191 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C(C)C)nn3C)CCC[C@@H]12 ZINC000992369103 646960302 /nfs/dbraw/zinc/96/03/02/646960302.db2.gz MGNVCAMRUBCYBE-AEFFLSMTSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ncoc3C3CC3)CCC[C@H]12 ZINC000992391599 646967490 /nfs/dbraw/zinc/96/74/90/646967490.db2.gz AVNZNVKZYCMTJX-SUMWQHHRSA-N 0 3 301.390 2.465 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc4c([nH]3)CCC4)CCC[C@H]12 ZINC000992394003 646968062 /nfs/dbraw/zinc/96/80/62/646968062.db2.gz AIAAAIUCLYTYDF-PKOBYXMFSA-N 0 3 311.429 2.254 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3oc(CC)nc3C)CCC[C@H]12 ZINC000992398638 646970081 /nfs/dbraw/zinc/97/00/81/646970081.db2.gz HFAYPIPWXFETEL-KBXCAEBGSA-N 0 3 315.417 2.296 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3ccc4c(c3)CCN4C)CCC[C@@H]12 ZINC000992397304 646971259 /nfs/dbraw/zinc/97/12/59/646971259.db2.gz FBAWFLBKVHZKRH-UYAOXDASSA-N 0 3 323.440 2.039 20 30 DEEDHN Cc1cc(Cl)cc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000815126326 646974815 /nfs/dbraw/zinc/97/48/15/646974815.db2.gz LISCGSOBLRQWED-NXVVXOECSA-N 0 3 319.792 2.264 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3cccc(F)c3)CCC[C@@H]12 ZINC000992449133 647017228 /nfs/dbraw/zinc/01/72/28/647017228.db2.gz BHTQRQDLQBDROA-SJLPKXTDSA-N 0 3 300.377 2.115 20 30 DEEDHN N#C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000913892123 647086749 /nfs/dbraw/zinc/08/67/49/647086749.db2.gz IXOGRLUSCZRNQP-IAGOWNOFSA-N 0 3 312.417 2.206 20 30 DEEDHN C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC000992655493 647179210 /nfs/dbraw/zinc/17/92/10/647179210.db2.gz KZRZPZQMODJVLO-FVQBIDKESA-N 0 3 300.402 2.409 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC1CCN(OC)CC1 ZINC000817418831 647291405 /nfs/dbraw/zinc/29/14/05/647291405.db2.gz IOCGRLNIALTFOZ-UHFFFAOYSA-N 0 3 308.809 2.467 20 30 DEEDHN C=C(C)CNC(=S)NCCCN1CCc2ccccc2C1 ZINC000914704598 647413752 /nfs/dbraw/zinc/41/37/52/647413752.db2.gz AQLMHXMJAWQXCF-UHFFFAOYSA-N 0 3 303.475 2.475 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000818055920 647414694 /nfs/dbraw/zinc/41/46/94/647414694.db2.gz OPGNABDKWGZRHO-SJORKVTESA-N 0 3 311.385 2.011 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000818130386 647424408 /nfs/dbraw/zinc/42/44/08/647424408.db2.gz MOGAPCOYQIOPDI-DLBZAZTESA-N 0 3 315.417 2.292 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000818608965 647487086 /nfs/dbraw/zinc/48/70/86/647487086.db2.gz BNOCMMMQKHXPMS-OAHLLOKOSA-N 0 3 304.821 2.441 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncccc2OCCC)C1 ZINC001015649988 647606371 /nfs/dbraw/zinc/60/63/71/647606371.db2.gz FVXUYILQIBJIDR-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc3[nH]cnc32)[C@@H]1C ZINC000993378853 647638391 /nfs/dbraw/zinc/63/83/91/647638391.db2.gz KKBGHDJMRABUDJ-JSGCOSHPSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@@H]1C ZINC000993477509 647675756 /nfs/dbraw/zinc/67/57/56/647675756.db2.gz NNEWXBZKMXSGGR-DOTOQJQBSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H]1C ZINC000993453135 647677769 /nfs/dbraw/zinc/67/77/69/647677769.db2.gz JIBHZBHDTKBKGE-BBRMVZONSA-N 0 3 310.401 2.121 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@@H]1C ZINC000993500110 647681211 /nfs/dbraw/zinc/68/12/11/647681211.db2.gz RNEDZQOQNKJFFU-HOCLYGCPSA-N 0 3 312.417 2.032 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2c(C)nn(C)c2Cl)[C@@H]1C ZINC000993545987 647692925 /nfs/dbraw/zinc/69/29/25/647692925.db2.gz IYPSBQHZHSIEFI-GXTWGEPZSA-N 0 3 324.856 2.080 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OC)cc2F)[C@@H]1C ZINC000993572027 647694954 /nfs/dbraw/zinc/69/49/54/647694954.db2.gz RHLDUNILKPHRQD-GUYCJALGSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(Cl)cn2C)[C@@H]1C ZINC000993558893 647699869 /nfs/dbraw/zinc/69/98/69/647699869.db2.gz BJJSTPRVCWUVFH-JSGCOSHPSA-N 0 3 307.825 2.285 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC000993636277 647712953 /nfs/dbraw/zinc/71/29/53/647712953.db2.gz WHOCZFVAUNBCBC-HIFRSBDPSA-N 0 3 311.385 2.434 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(OC)cn2)[C@@H]1C ZINC000993711684 647729074 /nfs/dbraw/zinc/72/90/74/647729074.db2.gz APZJOCQORINMSZ-YOEHRIQHSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc(CC)cn2)[C@H]1C ZINC000993845350 647755376 /nfs/dbraw/zinc/75/53/76/647755376.db2.gz LPKWBTYLZIXWAQ-CRAIPNDOSA-N 0 3 313.445 2.179 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CCC)c2)[C@H]1C ZINC000993894887 647759934 /nfs/dbraw/zinc/75/99/34/647759934.db2.gz XTMNPVKTEOVPTK-GDBMZVCRSA-N 0 3 304.438 2.452 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CCC)c2)[C@H]1C ZINC000993894890 647760366 /nfs/dbraw/zinc/76/03/66/647760366.db2.gz XTMNPVKTEOVPTK-ZBFHGGJFSA-N 0 3 304.438 2.452 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@H]1C ZINC000993916428 647766182 /nfs/dbraw/zinc/76/61/82/647766182.db2.gz LJIYDLLOGSMLQT-GDBMZVCRSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2c(C)noc2Cl)[C@H]1C ZINC000993994000 647775028 /nfs/dbraw/zinc/77/50/28/647775028.db2.gz OSGMHJXBZFMCBH-TZMCWYRMSA-N 0 3 323.824 2.171 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(CCC)c2C)[C@H]1C ZINC000994091861 647787720 /nfs/dbraw/zinc/78/77/20/647787720.db2.gz LGBJDCDYRJIJLX-NVXWUHKLSA-N 0 3 316.449 2.208 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H]1C ZINC000994144753 647793415 /nfs/dbraw/zinc/79/34/15/647793415.db2.gz JOUVGOUEUJXARB-GDBMZVCRSA-N 0 3 317.433 2.232 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2csc(Cl)n2)[C@H]1C ZINC000994169008 647799190 /nfs/dbraw/zinc/79/91/90/647799190.db2.gz RHERHYWWLMTPHP-GHMZBOCLSA-N 0 3 311.838 2.403 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2coc(CCC)n2)[C@H]1C ZINC000994212789 647806376 /nfs/dbraw/zinc/80/63/76/647806376.db2.gz RBYYDSXCFFEBNV-KGLIPLIRSA-N 0 3 303.406 2.233 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@@H]1C ZINC000994231193 647813785 /nfs/dbraw/zinc/81/37/85/647813785.db2.gz NMNLBRMDUDNEDZ-HOCLYGCPSA-N 0 3 312.417 2.191 20 30 DEEDHN C#C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000820441417 647845569 /nfs/dbraw/zinc/84/55/69/647845569.db2.gz UXKAUYHSNQJJMA-GFCCVEGCSA-N 0 3 309.360 2.060 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCCF)[C@H]2C)cn1 ZINC000994252017 647855117 /nfs/dbraw/zinc/85/51/17/647855117.db2.gz OPGAPSTZZIHCEX-XJKSGUPXSA-N 0 3 303.381 2.005 20 30 DEEDHN C#C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(F)cc1 ZINC000820489637 647855953 /nfs/dbraw/zinc/85/59/53/647855953.db2.gz HLFMFAFKUBPKLZ-SJORKVTESA-N 0 3 313.376 2.156 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000820635934 647884195 /nfs/dbraw/zinc/88/41/95/647884195.db2.gz OTFDZQOIJPCHND-HNNXBMFYSA-N 0 3 305.422 2.463 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC000994303040 647907952 /nfs/dbraw/zinc/90/79/52/647907952.db2.gz WFYDXEXDLDUHDT-PBHICJAKSA-N 0 3 300.402 2.301 20 30 DEEDHN CCO[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916912678 647941458 /nfs/dbraw/zinc/94/14/58/647941458.db2.gz SHBMOYSKSIHLLB-GBIKHYSHSA-N 0 3 306.749 2.412 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000917003162 647954136 /nfs/dbraw/zinc/95/41/36/647954136.db2.gz YWGPAFSEGVGRNP-OCCSQVGLSA-N 0 3 302.374 2.341 20 30 DEEDHN C=CCCn1cc(C(=O)OCCN(C)Cc2ccccc2)nn1 ZINC000820966260 647958188 /nfs/dbraw/zinc/95/81/88/647958188.db2.gz NZRLCXCSLRZSEI-UHFFFAOYSA-N 0 3 314.389 2.143 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cncnc2C(C)C)[C@H]1C ZINC000994454389 647959083 /nfs/dbraw/zinc/95/90/83/647959083.db2.gz SQRNFORFUMOLBG-GDBMZVCRSA-N 0 3 314.433 2.206 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(C)CCCCO2)CC1 ZINC000917098213 647967181 /nfs/dbraw/zinc/96/71/81/647967181.db2.gz TYOMVPKWNAYMJS-QGZVFWFLSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2([C@H]3CCCCO3)CC2)CC1 ZINC000917142064 647975944 /nfs/dbraw/zinc/97/59/44/647975944.db2.gz OAXZJQYADCMGLW-OAHLLOKOSA-N 0 3 307.438 2.038 20 30 DEEDHN C#CCN(C(=O)NCc1ccccc1CC)C1CCN(C)CC1 ZINC000919933228 648194753 /nfs/dbraw/zinc/19/47/53/648194753.db2.gz KLONZBWCFVGCGT-UHFFFAOYSA-N 0 3 313.445 2.488 20 30 DEEDHN COCCCN(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000921193485 648279500 /nfs/dbraw/zinc/27/95/00/648279500.db2.gz XWNIVDQMXKSPHR-AWEZNQCLSA-N 0 3 324.384 2.192 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncccc2OCC)C[C@@H]1C ZINC000948109770 648379886 /nfs/dbraw/zinc/37/98/86/648379886.db2.gz ZDQFIVXONMZGAO-LSDHHAIUSA-N 0 3 315.417 2.086 20 30 DEEDHN N#CC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCSCC1 ZINC000824376675 648577288 /nfs/dbraw/zinc/57/72/88/648577288.db2.gz SZVMCMRDGPZOTI-UONOGXRCSA-N 0 3 307.463 2.156 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000824726137 648644091 /nfs/dbraw/zinc/64/40/91/648644091.db2.gz GEHROPUXKARSTF-MRXNPFEDSA-N 0 3 309.360 2.238 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)cc2Cl)C(C)(C)C1 ZINC000940772292 648942340 /nfs/dbraw/zinc/94/23/40/648942340.db2.gz WJAFDDGHSDGZQA-GFCCVEGCSA-N 0 3 310.829 2.090 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncc(C)cc2OC)C(C)(C)C1 ZINC000940806164 648945937 /nfs/dbraw/zinc/94/59/37/648945937.db2.gz UUJFIYVPZJKCEN-HNNXBMFYSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)C[C@H]1C ZINC000947890594 648953102 /nfs/dbraw/zinc/95/31/02/648953102.db2.gz IOADJNUDNPGNOE-KDOFPFPSSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(OCC)c2)C(C)(C)C1 ZINC000941017452 648986290 /nfs/dbraw/zinc/98/62/90/648986290.db2.gz OBWOQZAOAGSUCG-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C(C)(C)C1 ZINC000941051544 648991619 /nfs/dbraw/zinc/99/16/19/648991619.db2.gz JCUFIZOCTXDNGY-INIZCTEOSA-N 0 3 314.433 2.141 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2Cl)C(C)(C)C1 ZINC000941158750 649010841 /nfs/dbraw/zinc/01/08/41/649010841.db2.gz VBQAEULKTBIFIR-LBPRGKRZSA-N 0 3 310.829 2.090 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC#CC)CC1(C)C ZINC000941186182 649018059 /nfs/dbraw/zinc/01/80/59/649018059.db2.gz FJNXOGZCNJDUEP-IBGZPJMESA-N 0 3 322.452 2.450 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)C(C)(C)C1 ZINC000941244794 649026992 /nfs/dbraw/zinc/02/69/92/649026992.db2.gz OPWUZXNEPGGSSI-HOTGVXAUSA-N 0 3 318.465 2.464 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)C1 ZINC000941304920 649036530 /nfs/dbraw/zinc/03/65/30/649036530.db2.gz RSDRMTRQIHRZQS-QGZVFWFLSA-N 0 3 317.477 2.137 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c3ccccc3nn2C)C[C@H]1C ZINC000947895326 649052399 /nfs/dbraw/zinc/05/23/99/649052399.db2.gz KQECECPDKOZIOK-ZIAGYGMSSA-N 0 3 312.417 2.342 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCN(C2CN(CC3CC(C)C3)C2)CC1 ZINC000941516657 649053507 /nfs/dbraw/zinc/05/35/07/649053507.db2.gz ZGKAFQRPNBZUAS-UHFFFAOYSA-N 0 3 319.493 2.073 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000947328354 649105767 /nfs/dbraw/zinc/10/57/67/649105767.db2.gz QNTIMHMQAYKKCI-WFASDCNBSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C ZINC000947899021 649123647 /nfs/dbraw/zinc/12/36/47/649123647.db2.gz CSNOCYRQQABIHM-ZBFHGGJFSA-N 0 3 313.445 2.500 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C3CCC3)c2)[C@H](C)C1 ZINC000942052319 649142753 /nfs/dbraw/zinc/14/27/53/649142753.db2.gz FDDLNOKHDYRITF-CJNGLKHVSA-N 0 3 302.422 2.234 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC000942053500 649143916 /nfs/dbraw/zinc/14/39/16/649143916.db2.gz QCRYNTNPZQQIRL-CJNGLKHVSA-N 0 3 312.417 2.269 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)[C@H](C)C1 ZINC000942129356 649163485 /nfs/dbraw/zinc/16/34/85/649163485.db2.gz JDOUKHNINPMXQT-CJNGLKHVSA-N 0 3 323.396 2.014 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nc3cccnc3s2)[C@H](C)C1 ZINC000942134871 649166839 /nfs/dbraw/zinc/16/68/39/649166839.db2.gz QKUUEMZSMQRREI-VXGBXAGGSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn3c2CCCC3)[C@@H](C)C1 ZINC000942135671 649167100 /nfs/dbraw/zinc/16/71/00/649167100.db2.gz ZRISMFSJXFOMNX-RDJZCZTQSA-N 0 3 313.445 2.288 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2snnc2C2CC2)[C@H](C)C1 ZINC000942148438 649168513 /nfs/dbraw/zinc/16/85/13/649168513.db2.gz RTVRRKZOVOZBDI-ZYHUDNBSSA-N 0 3 306.435 2.042 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H](C)C1 ZINC000942172052 649173723 /nfs/dbraw/zinc/17/37/23/649173723.db2.gz IQYWEBIRLMMVGX-HIFRSBDPSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C2CCC2)[C@H](C)C1 ZINC000942196987 649181491 /nfs/dbraw/zinc/18/14/91/649181491.db2.gz SXYJMFKKFVPEAO-CJNGLKHVSA-N 0 3 316.449 2.314 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)onc2C2CC2)[C@@H](C)C1 ZINC000942518039 649231601 /nfs/dbraw/zinc/23/16/01/649231601.db2.gz LBVGCJGSHYEXNK-SMDDNHRTSA-N 0 3 303.406 2.487 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(C3CC3)CCOCC2)[C@H](C)C1 ZINC000942529033 649235218 /nfs/dbraw/zinc/23/52/18/649235218.db2.gz DMLHMGDQCSHEMA-WBVHZDCISA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CC3)CCOCC2)[C@H](C)C1 ZINC000942529031 649235476 /nfs/dbraw/zinc/23/54/76/649235476.db2.gz DMLHMGDQCSHEMA-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)C2CC=CC2)C1 ZINC000995262683 649271925 /nfs/dbraw/zinc/27/19/25/649271925.db2.gz XRRWBDAIVSPQPD-GOSISDBHSA-N 0 3 323.440 2.332 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccncc2Cl)[C@H](C)C1 ZINC000942960240 649307014 /nfs/dbraw/zinc/30/70/14/649307014.db2.gz RABDATOHZIGRAR-IUODEOHRSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000943026123 649319783 /nfs/dbraw/zinc/31/97/83/649319783.db2.gz GKDFPIBTFVNJGO-BDJLRTHQSA-N 0 3 324.346 2.106 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(OC)c2C)[C@@H](C)C1 ZINC000943178710 649346756 /nfs/dbraw/zinc/34/67/56/649346756.db2.gz UUDCBUHKFSBLKT-YOEHRIQHSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccc(OC)cc2)C1 ZINC000829773559 649353715 /nfs/dbraw/zinc/35/37/15/649353715.db2.gz FWYHXXLOTOBMHR-INIZCTEOSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000829789556 649356042 /nfs/dbraw/zinc/35/60/42/649356042.db2.gz XQOTVRLGWZZJKK-CABCVRRESA-N 0 3 319.449 2.269 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2cccc(OCC)c2)C1 ZINC000829789015 649356156 /nfs/dbraw/zinc/35/61/56/649356156.db2.gz LVOKLLCPSDVKCJ-MRXNPFEDSA-N 0 3 314.429 2.437 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3ccccn3c2)[C@H](C)C1 ZINC000943301252 649362132 /nfs/dbraw/zinc/36/21/32/649362132.db2.gz AGNXIJLJPNECII-CRAIPNDOSA-N 0 3 309.413 2.403 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2OCC)[C@H](C)C1 ZINC000943777155 649425062 /nfs/dbraw/zinc/42/50/62/649425062.db2.gz GGSDASSQQAHJQQ-CZUORRHYSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000830321535 649426329 /nfs/dbraw/zinc/42/63/29/649426329.db2.gz QDCOHIMWQRUXTN-CYBMUJFWSA-N 0 3 302.443 2.367 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)[C@H](C)C1 ZINC000943800382 649430905 /nfs/dbraw/zinc/43/09/05/649430905.db2.gz VCKLIHSJJWINQZ-UKRRQHHQSA-N 0 3 315.417 2.091 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cc(F)ccc2OC)C1 ZINC001015885574 649446539 /nfs/dbraw/zinc/44/65/39/649446539.db2.gz RDGVNPICUZJZEL-OAHLLOKOSA-N 0 3 306.381 2.143 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3cccnc23)[C@H](C)C1 ZINC000944082664 649481233 /nfs/dbraw/zinc/48/12/33/649481233.db2.gz YBHYGSAFGSOXJT-HIFRSBDPSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2oc(CCC)nc2C)[C@H](C)C1 ZINC000944156319 649492736 /nfs/dbraw/zinc/49/27/36/649492736.db2.gz UGTWGZHKRZGZOZ-UKRRQHHQSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000944242265 649501768 /nfs/dbraw/zinc/50/17/68/649501768.db2.gz SOPSAQSYZWRFQU-YOEHRIQHSA-N 0 3 309.413 2.170 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)[C@@H](C)C1 ZINC000944240264 649501932 /nfs/dbraw/zinc/50/19/32/649501932.db2.gz DDUIYDQVTZGHTJ-HOCLYGCPSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2C)[C@@H](C)C1 ZINC000944443090 649526668 /nfs/dbraw/zinc/52/66/68/649526668.db2.gz GAMUXDJLJBWURD-YOEHRIQHSA-N 0 3 318.465 2.474 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sc(COC)nc2C)[C@H](C)C1 ZINC000944492938 649528159 /nfs/dbraw/zinc/52/81/59/649528159.db2.gz RYNVGAUNJFGGJN-YPMHNXCESA-N 0 3 323.462 2.224 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C)nc2C2CC2)[C@H](C)C1 ZINC000944530756 649530399 /nfs/dbraw/zinc/53/03/99/649530399.db2.gz FYFOFLABJFUPDW-MLGOLLRUSA-N 0 3 314.433 2.289 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2OC(C)C)[C@@H](C)C1 ZINC000944531361 649530478 /nfs/dbraw/zinc/53/04/78/649530478.db2.gz IWAWYCJOQXOSQZ-GJZGRUSLSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000944534088 649531048 /nfs/dbraw/zinc/53/10/48/649531048.db2.gz RKLBSUQPGNZOOU-YJBOKZPZSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cn2ccc3ccccc32)[C@@H](C)C1 ZINC000945005764 649597825 /nfs/dbraw/zinc/59/78/25/649597825.db2.gz FEXZYCZBHYCYQN-RDJZCZTQSA-N 0 3 309.413 2.101 20 30 DEEDHN COCCCN(C(=O)C#Cc1cccs1)C1CCN(C)CC1 ZINC000832920149 649754720 /nfs/dbraw/zinc/75/47/20/649754720.db2.gz UXWHMXBRPQVHDJ-UHFFFAOYSA-N 0 3 320.458 2.059 20 30 DEEDHN C[C@@H](COCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000845441426 651243846 /nfs/dbraw/zinc/24/38/46/651243846.db2.gz ZCQJHCBYHSXXKI-GOEBONIOSA-N 0 3 314.385 2.138 20 30 DEEDHN CC([C@H](OC(=O)CSCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845871915 651290917 /nfs/dbraw/zinc/29/09/17/651290917.db2.gz BONQZOCJDMXMMM-RNCFNFMXSA-N 0 3 312.322 2.332 20 30 DEEDHN CCC(C#N)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000845915876 651294732 /nfs/dbraw/zinc/29/47/32/651294732.db2.gz UIRZRLDPZWMVLZ-JTQLQIEISA-N 0 3 324.764 2.097 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CC(=O)N(CC)C1 ZINC000846091875 651307089 /nfs/dbraw/zinc/30/70/89/651307089.db2.gz PVPMZTPWXBYECT-CYBMUJFWSA-N 0 3 320.820 2.310 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC000854664611 651529753 /nfs/dbraw/zinc/52/97/53/651529753.db2.gz YPIJCAYJEASALQ-CQSZACIVSA-N 0 3 324.465 2.062 20 30 DEEDHN COc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1C#N ZINC000854678069 651534473 /nfs/dbraw/zinc/53/44/73/651534473.db2.gz UZAVBKHQEYBRHD-ZDUSSCGKSA-N 0 3 313.401 2.123 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccco1 ZINC000850752139 651980485 /nfs/dbraw/zinc/98/04/85/651980485.db2.gz LFOYUDJMAOOYQQ-DZGCQCFKSA-N 0 3 320.389 2.098 20 30 DEEDHN N#CC(C(=O)CCCc1cccnc1)C(=O)NCc1ccccc1 ZINC000850756704 651981273 /nfs/dbraw/zinc/98/12/73/651981273.db2.gz DGDKMAXRKKOLLA-KRWDZBQOSA-N 0 3 321.380 2.430 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1cccnc1 ZINC000850753955 651981833 /nfs/dbraw/zinc/98/18/33/651981833.db2.gz NWKCUVMGYLPYRX-HNNXBMFYSA-N 0 3 301.390 2.420 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(CCOC(F)F)CC2)c1 ZINC000851834469 652253900 /nfs/dbraw/zinc/25/39/00/652253900.db2.gz RASNWDXMKLDOPA-UHFFFAOYSA-N 0 3 323.343 2.448 20 30 DEEDHN C#CC[C@@H](CCOC)NCc1ccc(OC)c(OC)c1OC ZINC000858331592 652309624 /nfs/dbraw/zinc/30/96/24/652309624.db2.gz FSNYKOPSDLDLQM-AWEZNQCLSA-N 0 3 307.390 2.230 20 30 DEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000852098563 652337698 /nfs/dbraw/zinc/33/76/98/652337698.db2.gz QDGVUJJRNBQCBP-UGSOOPFHSA-N 0 3 318.417 2.100 20 30 DEEDHN C#CCOCCN[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000852206679 652363278 /nfs/dbraw/zinc/36/32/78/652363278.db2.gz PDYSYPKLMNOBHT-CQSZACIVSA-N 0 3 317.307 2.248 20 30 DEEDHN Cc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)cc(C#N)c1[N+](=O)[O-] ZINC000853242914 652528452 /nfs/dbraw/zinc/52/84/52/652528452.db2.gz ZMMZSOGFTHBUPF-LSDHHAIUSA-N 0 3 316.361 2.050 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ncc(C)cc1OC ZINC001371767356 1156007349 /nfs/dbraw/zinc/00/73/49/1156007349.db2.gz CCFOLJZGILCCCJ-GFCCVEGCSA-N 0 3 311.813 2.249 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCO[C@@H]2C)CCCC1 ZINC001391769821 1156794654 /nfs/dbraw/zinc/79/46/54/1156794654.db2.gz LUAZRARGJXHYAU-OLZOCXBDSA-N 0 3 300.830 2.183 20 30 DEEDHN CC(C)c1cccc(CNC[C@H](C)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001392049803 1156857414 /nfs/dbraw/zinc/85/74/14/1156857414.db2.gz LEOBOQKGQGDZIA-KBPBESRZSA-N 0 3 302.422 2.301 20 30 DEEDHN C=CCc1ccc(OCC(=O)N[C@H]2CCN(C)[C@@H]2C)c(OC)c1 ZINC000928450583 693782777 /nfs/dbraw/zinc/78/27/77/693782777.db2.gz CKIBLTVFWJHZCX-HIFRSBDPSA-N 0 3 318.417 2.011 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cn(C)c2ccccc12 ZINC000120084642 684091828 /nfs/dbraw/zinc/09/18/28/684091828.db2.gz NQMNXVQUYPSVSS-HNNXBMFYSA-N 0 3 311.385 2.344 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccsc1)C2 ZINC001054078415 693834052 /nfs/dbraw/zinc/83/40/52/693834052.db2.gz NECSTFBEMGTGKF-QGZVFWFLSA-N 0 3 302.443 2.238 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCc1ccco1)C2 ZINC001054083573 693835959 /nfs/dbraw/zinc/83/59/59/693835959.db2.gz HSOFKAKVYNTWHY-SFHVURJKSA-N 0 3 300.402 2.160 20 30 DEEDHN CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC/C=C\Cl ZINC001394715869 1158720940 /nfs/dbraw/zinc/72/09/40/1158720940.db2.gz NWQQHPBGUKPMCM-SCOBNMCVSA-N 0 3 306.797 2.079 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)c1cnc(C)[nH]1)C2 ZINC001054100228 693845197 /nfs/dbraw/zinc/84/51/97/693845197.db2.gz BKKKKDWDRWIVLR-MRXNPFEDSA-N 0 3 322.840 2.399 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001054101919 693845752 /nfs/dbraw/zinc/84/57/52/693845752.db2.gz IEBMLFPQIPQLBV-MAUKXSAKSA-N 0 3 312.417 2.056 20 30 DEEDHN COCCO[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000188814868 684364953 /nfs/dbraw/zinc/36/49/53/684364953.db2.gz BAUYLYPRJOJRJP-PBHICJAKSA-N 0 3 304.390 2.215 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1csnc1C)C2 ZINC001054119273 693852530 /nfs/dbraw/zinc/85/25/30/693852530.db2.gz AUSPOBRDKSAQCS-INIZCTEOSA-N 0 3 303.431 2.013 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#C)cc1)C2 ZINC001054173643 693870951 /nfs/dbraw/zinc/87/09/51/693870951.db2.gz DTFFXIVMHRCSPN-FQEVSTJZSA-N 0 3 306.409 2.229 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C(F)(F)F)C2 ZINC001054174824 693871420 /nfs/dbraw/zinc/87/14/20/693871420.db2.gz ATYJPUAZMWUFTK-TZMCWYRMSA-N 0 3 302.340 2.133 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2 ZINC001054211632 693883676 /nfs/dbraw/zinc/88/36/76/693883676.db2.gz UGXKBNDNXGUCBA-YQVWRLOYSA-N 0 3 300.446 2.370 20 30 DEEDHN N#CC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000929158713 693908006 /nfs/dbraw/zinc/90/80/06/693908006.db2.gz YCIOZZKZVCOPHV-OAHLLOKOSA-N 0 3 302.374 2.434 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccco2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054338918 693938863 /nfs/dbraw/zinc/93/88/63/693938863.db2.gz JMPCARRXSVYXMQ-SMDDNHRTSA-N 0 3 315.398 2.463 20 30 DEEDHN N#Cc1ccc(OCCCN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859885456 685847836 /nfs/dbraw/zinc/84/78/36/685847836.db2.gz WPULCIAZAIFTGG-JLHGSKIFSA-N 0 3 318.442 2.313 20 30 DEEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)C12CC(C1)C2 ZINC000860690200 685951772 /nfs/dbraw/zinc/95/17/72/685951772.db2.gz CGGKKDJUENDLOI-RYCVTPFZSA-N 0 3 302.761 2.465 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)C1CC(OC)C1)c1ccccc1 ZINC000860693389 685952173 /nfs/dbraw/zinc/95/21/73/685952173.db2.gz GKWDFCUNPBJBJW-FJBKBRRZSA-N 0 3 314.385 2.388 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000861839022 686192067 /nfs/dbraw/zinc/19/20/67/686192067.db2.gz SLWYRKPTGIAKSA-OAHLLOKOSA-N 0 3 322.355 2.158 20 30 DEEDHN COC1(CN2CCN(c3ccc(C#N)nc3)CC2)CCCCC1 ZINC000862422024 686299001 /nfs/dbraw/zinc/29/90/01/686299001.db2.gz OFMODTBRUKJQJY-UHFFFAOYSA-N 0 3 314.433 2.425 20 30 DEEDHN Cn1ncc(C(F)(F)F)c1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000863565403 686523511 /nfs/dbraw/zinc/52/35/11/686523511.db2.gz JAJMJQFFFLVQEQ-CQSZACIVSA-N 0 3 324.306 2.134 20 30 DEEDHN C#CC[C@H](COC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000863796956 686576388 /nfs/dbraw/zinc/57/63/88/686576388.db2.gz YLOWGLJSFYFMKY-QGZVFWFLSA-N 0 3 300.402 2.051 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccc(F)cn2)C1 ZINC001375532993 1158805223 /nfs/dbraw/zinc/80/52/23/1158805223.db2.gz CJVKGFDMELQIMI-YEORSEQZSA-N 0 3 311.788 2.000 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001015794032 687424049 /nfs/dbraw/zinc/42/40/49/687424049.db2.gz DZWCNJALGZLALZ-GJZGRUSLSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H]2CCN(CC[C@H](C)F)C2)cc1 ZINC001015809795 687429140 /nfs/dbraw/zinc/42/91/40/687429140.db2.gz URWQGYZEDANNDF-GOEBONIOSA-N 0 3 318.392 2.251 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccccc2OC(C)C)C1 ZINC001015845061 687439962 /nfs/dbraw/zinc/43/99/62/687439962.db2.gz MIULJENCFGWIDB-KRWDZBQOSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001015887996 687454403 /nfs/dbraw/zinc/45/44/03/687454403.db2.gz SSYTWRAVMZBPLR-QGZVFWFLSA-N 0 3 307.397 2.371 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001015932005 687469836 /nfs/dbraw/zinc/46/98/36/687469836.db2.gz QMLUNQZPEOURCG-INIZCTEOSA-N 0 3 310.401 2.253 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(OC)ccc1OCC ZINC000930225839 694115301 /nfs/dbraw/zinc/11/53/01/694115301.db2.gz LLZWZYRIUWAGOD-UHFFFAOYSA-N 0 3 319.405 2.171 20 30 DEEDHN C=CCC[C@@H](C)NCc1c(I)cnn1C ZINC000866631361 687633329 /nfs/dbraw/zinc/63/33/29/687633329.db2.gz MNOLWSCITLDAFF-SECBINFHSA-N 0 3 319.190 2.469 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)Cc2ccc(C)o2)CC1 ZINC001016577942 687657153 /nfs/dbraw/zinc/65/71/53/687657153.db2.gz DKTMYTNYHKAEDX-MRXNPFEDSA-N 0 3 300.402 2.125 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccncc2CC)CC1 ZINC001016698061 687684411 /nfs/dbraw/zinc/68/44/11/687684411.db2.gz JYFYUNLKUPSJRV-QGZVFWFLSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c[nH]c3ccccc23)CC1 ZINC001016713967 687688793 /nfs/dbraw/zinc/68/87/93/687688793.db2.gz DGWVQHMLGRJUAD-KRWDZBQOSA-N 0 3 307.397 2.385 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2c(C)cncc2C)CC1 ZINC001016729026 687691360 /nfs/dbraw/zinc/69/13/60/687691360.db2.gz AMBFJCDEYUVHDQ-MRXNPFEDSA-N 0 3 311.429 2.306 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C(C)C)on2)CC1 ZINC001016752040 687695040 /nfs/dbraw/zinc/69/50/40/687695040.db2.gz OODUFQTZELFGFH-INIZCTEOSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2occc2CC)CC1 ZINC001016814452 687708315 /nfs/dbraw/zinc/70/83/15/687708315.db2.gz KUMACAVKNHSOIS-HNNXBMFYSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001016818372 687709244 /nfs/dbraw/zinc/70/92/44/687709244.db2.gz CSTLNEFINIRXFZ-DZGCQCFKSA-N 0 3 302.443 2.456 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001016820810 687710253 /nfs/dbraw/zinc/71/02/53/687710253.db2.gz 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DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc2cc[nH]c2c1 ZINC000868653594 688091801 /nfs/dbraw/zinc/09/18/01/688091801.db2.gz WTPASCMLXLJHPG-UHFFFAOYSA-N 0 3 312.417 2.264 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC2(CCSCC2)CC1 ZINC000868653525 688092212 /nfs/dbraw/zinc/09/22/12/688092212.db2.gz OVBRWRRQJXHVQC-UHFFFAOYSA-N 0 3 323.506 2.260 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)noc1C ZINC001018257243 688095105 /nfs/dbraw/zinc/09/51/05/688095105.db2.gz XIYQESVGLHZPRH-IYBDPMFKSA-N 0 3 317.433 2.475 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)c3cccnc3)C2)ccc1F ZINC001018417001 688130260 /nfs/dbraw/zinc/13/02/60/688130260.db2.gz GZTZIEXEFYXISR-INIZCTEOSA-N 0 3 324.359 2.097 20 30 DEEDHN C[C@H](C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1)C1CC1 ZINC001018674339 688203247 /nfs/dbraw/zinc/20/32/47/688203247.db2.gz XNRMKVSBOSDYEH-AAEUAGOBSA-N 0 3 303.431 2.356 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001018938586 688258327 /nfs/dbraw/zinc/25/83/27/688258327.db2.gz UUFDZMJRARQADP-HNNXBMFYSA-N 0 3 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C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)C2)cn1 ZINC001032739591 689242388 /nfs/dbraw/zinc/24/23/88/689242388.db2.gz ICABAWSUAVLMRO-GNNGFNCTSA-N 0 3 309.413 2.008 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)nc1 ZINC001032737809 689242770 /nfs/dbraw/zinc/24/27/70/689242770.db2.gz HZABFXQAJZKTQK-IRXDYDNUSA-N 0 3 323.440 2.398 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001033085523 689382482 /nfs/dbraw/zinc/38/24/82/689382482.db2.gz RMSKJKIFPPMUSS-CHWSQXEVSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001033125429 689398714 /nfs/dbraw/zinc/39/87/14/689398714.db2.gz DRTAOHJECWIROI-OAHLLOKOSA-N 0 3 316.449 2.116 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cn3cc(C)nc3s2)C1 ZINC001033153212 689406884 /nfs/dbraw/zinc/40/68/84/689406884.db2.gz TWTAMGHVDCBABY-CYBMUJFWSA-N 0 3 318.446 2.427 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033172734 689411548 /nfs/dbraw/zinc/41/15/48/689411548.db2.gz 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C#CCCN1CC[C@H](N(CC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001033862331 689642523 /nfs/dbraw/zinc/64/25/23/689642523.db2.gz AJFAPPCZUDOUEY-INIZCTEOSA-N 0 3 310.401 2.074 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001033907035 689657927 /nfs/dbraw/zinc/65/79/27/689657927.db2.gz RIPVORRNLKCMTN-BZUAXINKSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(CCC)n[nH]2)C1 ZINC001033913201 689659675 /nfs/dbraw/zinc/65/96/75/689659675.db2.gz QIMSJCRYHCAJMZ-OAHLLOKOSA-N 0 3 304.438 2.475 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001033966582 689676884 /nfs/dbraw/zinc/67/68/84/689676884.db2.gz HDCAGDXBNRFUOU-QGZVFWFLSA-N 0 3 312.413 2.181 20 30 DEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2scnc2COC)C1 ZINC001033982519 689684192 /nfs/dbraw/zinc/68/41/92/689684192.db2.gz SSJDXHPXRVCIJJ-ZDUSSCGKSA-N 0 3 323.462 2.402 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnn3ccccc23)C1 ZINC001033988231 689684531 /nfs/dbraw/zinc/68/45/31/689684531.db2.gz ITIVKLWGVHNPIQ-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034008708 689690811 /nfs/dbraw/zinc/69/08/11/689690811.db2.gz FPBWDLFRGGKUKM-LLVKDONJSA-N 0 3 311.838 2.356 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001034211880 689764964 /nfs/dbraw/zinc/76/49/64/689764964.db2.gz PMCVDRZEHBLKDH-CABCVRRESA-N 0 3 316.449 2.376 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cncc3[nH]cnc32)C1 ZINC001034216057 689766246 /nfs/dbraw/zinc/76/62/46/689766246.db2.gz AEJTZDZHJKZZKM-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC001034236771 689775953 /nfs/dbraw/zinc/77/59/53/689775953.db2.gz LWZLVLRYVSWJSC-CYBMUJFWSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001034285732 689795052 /nfs/dbraw/zinc/79/50/52/689795052.db2.gz FYWHZXYSHWBTCW-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001034310422 689805517 /nfs/dbraw/zinc/80/55/17/689805517.db2.gz XURZOSDPEGUJDX-INIZCTEOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001034312677 689806624 /nfs/dbraw/zinc/80/66/24/689806624.db2.gz RJQNFWDOCLOLOC-OAHLLOKOSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001034336901 689813623 /nfs/dbraw/zinc/81/36/23/689813623.db2.gz LEMIRSPHONEQAI-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001034415421 689842174 /nfs/dbraw/zinc/84/21/74/689842174.db2.gz IKEBEGFLNGNSAZ-OAHLLOKOSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001034433250 689848447 /nfs/dbraw/zinc/84/84/47/689848447.db2.gz VOSUXEGBGXGLOL-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001034443535 689851993 /nfs/dbraw/zinc/85/19/93/689851993.db2.gz HRQASQRIJCOATR-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034450363 689855386 /nfs/dbraw/zinc/85/53/86/689855386.db2.gz APPGOXZGUXDDCM-HNNXBMFYSA-N 0 3 305.809 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCOc1ccc(Cl)cc1 ZINC000876560971 689856862 /nfs/dbraw/zinc/85/68/62/689856862.db2.gz IJQZGVIEAZHFDJ-LBPRGKRZSA-N 0 3 303.189 2.305 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000876563365 689858178 /nfs/dbraw/zinc/85/81/78/689858178.db2.gz FARYXLSYSXMRGT-CABZTGNLSA-N 0 3 300.761 2.481 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001034474937 689864195 /nfs/dbraw/zinc/86/41/95/689864195.db2.gz TWFCENFTZVPYKA-QGZVFWFLSA-N 0 3 313.445 2.449 20 30 DEEDHN C=CCN(Cc1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C ZINC000876596203 689870619 /nfs/dbraw/zinc/87/06/19/689870619.db2.gz GBANIYKYABZUPX-UHFFFAOYSA-N 0 3 302.827 2.384 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000876600185 689871701 /nfs/dbraw/zinc/87/17/01/689871701.db2.gz OXFGLRHBUQDCPH-CQSZACIVSA-N 0 3 312.797 2.132 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000876602664 689872847 /nfs/dbraw/zinc/87/28/47/689872847.db2.gz SGPAUSADQHZXDU-HNNXBMFYSA-N 0 3 322.836 2.321 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001034508299 689877410 /nfs/dbraw/zinc/87/74/10/689877410.db2.gz HHNCSSHVAHBHOH-ZDUSSCGKSA-N 0 3 308.401 2.028 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)onc2CC)C1 ZINC001034522760 689883359 /nfs/dbraw/zinc/88/33/59/689883359.db2.gz XGWCQOQHUAVGHC-CQSZACIVSA-N 0 3 303.406 2.153 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1ccccc1OC ZINC000876645856 689887551 /nfs/dbraw/zinc/88/75/51/689887551.db2.gz NRLLLXZGRIIKHC-LBPRGKRZSA-N 0 3 312.797 2.050 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ncccc2OCC)C1 ZINC001034561268 689898940 /nfs/dbraw/zinc/89/89/40/689898940.db2.gz BYVUKYHJKYFXNU-HNNXBMFYSA-N 0 3 315.417 2.088 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](C)C(=O)N(C)c2ccccc21 ZINC000876682446 689900113 /nfs/dbraw/zinc/90/01/13/689900113.db2.gz KBWWMLGGYCNFHS-CMPLNLGQSA-N 0 3 321.808 2.102 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000876696364 689906586 /nfs/dbraw/zinc/90/65/86/689906586.db2.gz SOANDQHDKKXOOP-GHMZBOCLSA-N 0 3 301.173 2.360 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000876700134 689907859 /nfs/dbraw/zinc/90/78/59/689907859.db2.gz RKACSYJGZWQNPO-XBFCOCLRSA-N 0 3 324.808 2.123 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc2ccccc2n1 ZINC000876742795 689924481 /nfs/dbraw/zinc/92/44/81/689924481.db2.gz UBDHYHSNHUWNNV-CQSZACIVSA-N 0 3 303.793 2.363 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000876814927 689945357 /nfs/dbraw/zinc/94/53/57/689945357.db2.gz RYLDBMVKHGQAMF-MRXNPFEDSA-N 0 3 324.432 2.128 20 30 DEEDHN CC(F)(F)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034837180 689957996 /nfs/dbraw/zinc/95/79/96/689957996.db2.gz NBYSYKRGJDEBKO-SNVBAGLBSA-N 0 3 313.373 2.356 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000876901498 689968675 /nfs/dbraw/zinc/96/86/75/689968675.db2.gz FFFZOKSBGOWNKN-SOUVJXGZSA-N 0 3 308.809 2.493 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000876903351 689969784 /nfs/dbraw/zinc/96/97/84/689969784.db2.gz VWFBVYMLVWDYGA-INIZCTEOSA-N 0 3 320.820 2.286 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000876955417 689982228 /nfs/dbraw/zinc/98/22/28/689982228.db2.gz XUTDQXOEFKCCDI-GUBZILKMSA-N 0 3 314.735 2.073 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000876970934 689986344 /nfs/dbraw/zinc/98/63/44/689986344.db2.gz HETPCIIATISVEX-HZSPNIEDSA-N 0 3 300.830 2.264 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000877112847 690021138 /nfs/dbraw/zinc/02/11/38/690021138.db2.gz ZEARUVGDMQEKEC-OAHLLOKOSA-N 0 3 303.793 2.107 20 30 DEEDHN C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)CNC2)C(=O)OCC ZINC000877144312 690028705 /nfs/dbraw/zinc/02/87/05/690028705.db2.gz KJDDLTNAUFYBPE-CQSZACIVSA-N 0 3 322.792 2.094 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000877200076 690044053 /nfs/dbraw/zinc/04/40/53/690044053.db2.gz JLBQKVXHLYKCKS-BFHYXJOUSA-N 0 3 322.792 2.372 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC2(CN(C[C@@H](C)O)C2)CC1 ZINC001035714149 690158652 /nfs/dbraw/zinc/15/86/52/690158652.db2.gz OAYYOLFVJXKDON-GFCCVEGCSA-N 0 3 314.857 2.070 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ncc(Cl)s1)CC2 ZINC001035749259 690167860 /nfs/dbraw/zinc/16/78/60/690167860.db2.gz RAFYDOKLLXJKRZ-UHFFFAOYSA-N 0 3 323.849 2.358 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](OC)C1CCC1)CC2 ZINC001035758608 690169953 /nfs/dbraw/zinc/16/99/53/690169953.db2.gz GMKVNUOQGYOFMJ-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1nc(Cl)cs1)CC2 ZINC001035775917 690173455 /nfs/dbraw/zinc/17/34/55/690173455.db2.gz IGSBQTPQGCYBDN-UHFFFAOYSA-N 0 3 323.849 2.358 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1conc1C1CC1)CC2 ZINC001035794128 690178318 /nfs/dbraw/zinc/17/83/18/690178318.db2.gz XMMMNNBHYNRDHF-UHFFFAOYSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(CC)CCOCC1)CC2 ZINC001035828299 690186537 /nfs/dbraw/zinc/18/65/37/690186537.db2.gz HJVCFGJKYDLLLR-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cn3ccccc3n1)CC2 ZINC001035845260 690191945 /nfs/dbraw/zinc/19/19/45/690191945.db2.gz FAPIFNBQTRWOKI-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cnns2)[C@@H](C)C1 ZINC001036137331 690272304 /nfs/dbraw/zinc/27/23/04/690272304.db2.gz MFIWVBLBAPSHOF-JSGCOSHPSA-N 0 3 322.478 2.467 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccn(CC)n2)[C@@H](C)C1 ZINC001036141062 690273258 /nfs/dbraw/zinc/27/32/58/690273258.db2.gz FRSIHBXCXPYHNV-GOEBONIOSA-N 0 3 318.465 2.442 20 30 DEEDHN C#CCC1(O)CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000878182204 690338022 /nfs/dbraw/zinc/33/80/22/690338022.db2.gz CKLNAOQTMFEWIP-UHFFFAOYSA-N 0 3 315.417 2.130 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000878235941 690353987 /nfs/dbraw/zinc/35/39/87/690353987.db2.gz YEAAJPTUFQCGTD-CGZBRXJRSA-N 0 3 307.482 2.264 20 30 DEEDHN CC[C@@H]1CN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C[C@H]1O ZINC000878321144 690378322 /nfs/dbraw/zinc/37/83/22/690378322.db2.gz BYNQBXYSWIWBGU-KBAYOESNSA-N 0 3 300.402 2.130 20 30 DEEDHN C[C@@](O)(C[C@H](O)CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000878365188 690388490 /nfs/dbraw/zinc/38/84/90/690388490.db2.gz TWTOPVIBLJYENN-DLBZAZTESA-N 0 3 300.402 2.049 20 30 DEEDHN COc1ccc(CN2CC[C@H]3CN(C(C)=O)CC[C@@H]32)cc1C#N ZINC001036605263 690396064 /nfs/dbraw/zinc/39/60/64/690396064.db2.gz QSALJDYDSCSURH-RDJZCZTQSA-N 0 3 313.401 2.010 20 30 DEEDHN CC(=O)N1CC[C@H]2[C@H](CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001036605688 690396182 /nfs/dbraw/zinc/39/61/82/690396182.db2.gz YBTYNXZTOTYDGO-WBVHZDCISA-N 0 3 301.365 2.140 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]3CN(C(=O)C4CC4)CC[C@H]32)s1 ZINC001036613806 690401642 /nfs/dbraw/zinc/40/16/42/690401642.db2.gz MMTGDWLNUZQHAJ-XJKSGUPXSA-N 0 3 315.442 2.453 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001036614756 690402984 /nfs/dbraw/zinc/40/29/84/690402984.db2.gz ZZJGFNBSDKVUPR-QZTJIDSGSA-N 0 3 309.413 2.391 20 30 DEEDHN CC[C@]1(O)CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878466619 690415757 /nfs/dbraw/zinc/41/57/57/690415757.db2.gz UHNWKDIEFUUNGJ-ZWKOTPCHSA-N 0 3 300.402 2.274 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)CC[C@@H]21 ZINC001036650419 690420457 /nfs/dbraw/zinc/42/04/57/690420457.db2.gz NETNQCDHFYSLCY-DOMZBBRYSA-N 0 3 322.840 2.261 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001036737710 690453175 /nfs/dbraw/zinc/45/31/75/690453175.db2.gz VJRLBRNYDQQSIF-LSDHHAIUSA-N 0 3 305.397 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2Cc2cnn(C)c2)C1 ZINC001036792235 690476583 /nfs/dbraw/zinc/47/65/83/690476583.db2.gz MKHUPTPNFVDOJL-CVEARBPZSA-N 0 3 316.449 2.055 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931365316 694379374 /nfs/dbraw/zinc/37/93/74/694379374.db2.gz FIFFEQBHZWOYAC-KBPBESRZSA-N 0 3 312.417 2.433 20 30 DEEDHN CNC(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000879334088 690621894 /nfs/dbraw/zinc/62/18/94/690621894.db2.gz GUJFEXXGMQGVQK-MRXNPFEDSA-N 0 3 300.406 2.150 20 30 DEEDHN C[C@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)NC1(C#N)CCC1 ZINC000879672973 690703857 /nfs/dbraw/zinc/70/38/57/690703857.db2.gz YRZREQFTQTYAED-QJPTWQEYSA-N 0 3 315.339 2.424 20 30 DEEDHN CC1(C)CC(CN2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001038144105 690719584 /nfs/dbraw/zinc/71/95/84/690719584.db2.gz JMQFWITWUZOPKE-CQSZACIVSA-N 0 3 300.406 2.127 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001038259854 690760741 /nfs/dbraw/zinc/76/07/41/690760741.db2.gz BVBGJHNZOKQDCW-MRXNPFEDSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038269622 690763201 /nfs/dbraw/zinc/76/32/01/690763201.db2.gz QDSSIIRFIIZNLV-ZDUSSCGKSA-N 0 3 304.438 2.478 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ncnc2sccc21 ZINC001038276276 690765903 /nfs/dbraw/zinc/76/59/03/690765903.db2.gz 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ZINC001052666830 693592574 /nfs/dbraw/zinc/59/25/74/693592574.db2.gz YXXJUMICACSUJR-ZDUSSCGKSA-N 0 3 306.356 2.111 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccn(C)c2CC)CC1 ZINC001052713396 693602366 /nfs/dbraw/zinc/60/23/66/693602366.db2.gz WUROETLBVUZBSR-HNNXBMFYSA-N 0 3 301.434 2.195 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2ccc(CC)cn2)CC1 ZINC001052726812 693604456 /nfs/dbraw/zinc/60/44/56/693604456.db2.gz WYCSTFOUGNRFPX-KRWDZBQOSA-N 0 3 313.445 2.181 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2oc(C3CC3)nc2C)CC1 ZINC001052778946 693618448 /nfs/dbraw/zinc/61/84/48/693618448.db2.gz UPQFQYALPIIPCL-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC001052793524 693620167 /nfs/dbraw/zinc/62/01/67/693620167.db2.gz FLGZTOWJUJETMN-WBVHZDCISA-N 0 3 312.413 2.157 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2snnc2C(C)C)CC1 ZINC001052816845 693624400 /nfs/dbraw/zinc/62/44/00/693624400.db2.gz QANSDKQJDRTPLG-ZDUSSCGKSA-N 0 3 320.462 2.269 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(F)c2OCC)CC1 ZINC001052826733 693626214 /nfs/dbraw/zinc/62/62/14/693626214.db2.gz BAJQAJXSRRFFEJ-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(CCC)on2)CC1 ZINC001052835826 693628876 /nfs/dbraw/zinc/62/88/76/693628876.db2.gz DDNIOTBMLPFDRW-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2scnc2Cl)CC1 ZINC001052938636 693652359 /nfs/dbraw/zinc/65/23/59/693652359.db2.gz BCBFQOHBAOOCLH-NSHDSACASA-N 0 3 311.838 2.404 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(N(C)CC)cc2)CC1 ZINC001052972994 693659791 /nfs/dbraw/zinc/65/97/91/693659791.db2.gz YLFSRATWJBLONC-KRWDZBQOSA-N 0 3 313.445 2.360 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2nocc2C)C1 ZINC001053105971 693691182 /nfs/dbraw/zinc/69/11/82/693691182.db2.gz WLIRJPWDDSRSSW-HZPDHXFCSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN(CCC(=O)NCC(=O)c1ccccc1)C(C)(C)C ZINC000932463907 694620734 /nfs/dbraw/zinc/62/07/34/694620734.db2.gz QDXAXZQUJWTVCF-UHFFFAOYSA-N 0 3 300.402 2.109 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)c1ccc(Br)cc1 ZINC001332287090 1149844821 /nfs/dbraw/zinc/84/48/21/1149844821.db2.gz CNYIGHSVBUBSIT-CHWSQXEVSA-N 0 3 300.196 2.273 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)Cc2ccc(F)cc2F)CC1 ZINC001332948368 1149932907 /nfs/dbraw/zinc/93/29/07/1149932907.db2.gz MJBZMRPLCOKXHV-CYBMUJFWSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@H](C)n2cccc2)CC1 ZINC001332971479 1149939974 /nfs/dbraw/zinc/93/99/74/1149939974.db2.gz ASHGBTSWYSJNKC-JKSUJKDBSA-N 0 3 301.434 2.289 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001343022397 1150657478 /nfs/dbraw/zinc/65/74/78/1150657478.db2.gz QFRSKRCSUXXFHD-LESCRADOSA-N 0 3 312.417 2.330 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)CC1(C)COC1)c1ccccc1 ZINC001345886130 1150923299 /nfs/dbraw/zinc/92/32/99/1150923299.db2.gz CPCDKYWGALLJHR-GJZGRUSLSA-N 0 3 314.385 2.389 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCOC)cc2)CC1 ZINC001352935542 1151795691 /nfs/dbraw/zinc/79/56/91/1151795691.db2.gz PVRIHRMDURXYLX-UHFFFAOYSA-N 0 3 319.405 2.441 20 30 DEEDHN Cc1nc(C)c(CN2CCC([C@H](C)NC(=O)[C@H](C)C#N)CC2)o1 ZINC001380131964 1152754224 /nfs/dbraw/zinc/75/42/24/1152754224.db2.gz BYWNVVHPDYPXGM-NEPJUHHUSA-N 0 3 318.421 2.168 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001380303376 1152784973 /nfs/dbraw/zinc/78/49/73/1152784973.db2.gz CEJKFZFSEJDKFU-MRXNPFEDSA-N 0 3 315.392 2.341 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccc[nH]3)CCC2)s1 ZINC001380844169 1152864428 /nfs/dbraw/zinc/86/44/28/1152864428.db2.gz IHZZDOZFFBSVQP-UHFFFAOYSA-N 0 3 314.414 2.390 20 30 DEEDHN Cc1cnc(CNC2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)s1 ZINC001381461823 1153072707 /nfs/dbraw/zinc/07/27/07/1153072707.db2.gz WGZVIMKQFZIIEY-XGNXJENSSA-N 0 3 320.462 2.470 20 30 DEEDHN Cc1cccc(CN(C)[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001381506370 1153100368 /nfs/dbraw/zinc/10/03/68/1153100368.db2.gz HSJUJCDBQPZYNK-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@H](CNC(=O)c1ccns1)N(C)Cc1ccc(C#N)cc1 ZINC001381525787 1153109329 /nfs/dbraw/zinc/10/93/29/1153109329.db2.gz LSOLXIYOJOWZPF-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN CCN1C[C@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)C(C)(C)C1 ZINC001362968540 1153164234 /nfs/dbraw/zinc/16/42/34/1153164234.db2.gz CNLCAHZLSXIXLI-INIZCTEOSA-N 0 3 310.401 2.500 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccoc1)NCc1ccc(C#N)s1 ZINC001382051908 1153334033 /nfs/dbraw/zinc/33/40/33/1153334033.db2.gz QELZNRDIQKJBEG-LLVKDONJSA-N 0 3 303.387 2.463 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NCc1ccccc1F ZINC001382070093 1153344033 /nfs/dbraw/zinc/34/40/33/1153344033.db2.gz SVYTXDZYWOONHV-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cccc(C#N)c21 ZINC001363583225 1153471666 /nfs/dbraw/zinc/47/16/66/1153471666.db2.gz XKYXWQHZACOFHT-UONOGXRCSA-N 0 3 308.385 2.348 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccoc1Br ZINC001570215998 1154370708 /nfs/dbraw/zinc/37/07/08/1154370708.db2.gz RBVSVPTYEAGUOO-UHFFFAOYSA-N 0 3 313.195 2.069 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001403072691 1162689409 /nfs/dbraw/zinc/68/94/09/1162689409.db2.gz HHCGELMPLNGBCL-XJKSGUPXSA-N 0 3 314.857 2.240 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001389829846 1155446084 /nfs/dbraw/zinc/44/60/84/1155446084.db2.gz AIJIBAJFBFWPAV-OASPWFOLSA-N 0 3 309.772 2.376 20 30 DEEDHN C[C@@H](CNC(=O)CC[C@H]1CCOC1)NCc1ccc(C#N)s1 ZINC001390329266 1155652572 /nfs/dbraw/zinc/65/25/72/1155652572.db2.gz PTSUMZNEFKZJPT-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001371166436 1155754077 /nfs/dbraw/zinc/75/40/77/1155754077.db2.gz QBEYXIAOKCQRAJ-NWDGAFQWSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001403109716 1162728040 /nfs/dbraw/zinc/72/80/40/1162728040.db2.gz CVQMZVBYTHWKDC-ZIAGYGMSSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H]1CC1(F)F ZINC001390665513 1155832279 /nfs/dbraw/zinc/83/22/79/1155832279.db2.gz WBSSDCHTWUDHNT-RKDXNWHRSA-N 0 3 311.170 2.035 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn(CC(C)C)c1 ZINC001390701539 1155842932 /nfs/dbraw/zinc/84/29/32/1155842932.db2.gz RLPQOBRXOHYTIG-CYBMUJFWSA-N 0 3 312.845 2.390 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@@H](C)NCc1nsc2ccccc12 ZINC001371729346 1155976879 /nfs/dbraw/zinc/97/68/79/1155976879.db2.gz AMXGTUJRZJOEOH-VXGBXAGGSA-N 0 3 316.430 2.440 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001371769164 1156007498 /nfs/dbraw/zinc/00/74/98/1156007498.db2.gz HPYDSCSLUHGIPC-LLVKDONJSA-N 0 3 310.829 2.148 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001371773959 1156009343 /nfs/dbraw/zinc/00/93/43/1156009343.db2.gz REGWSVUBPCSTEG-WCQYABFASA-N 0 3 324.856 2.316 20 30 DEEDHN COCc1cccc(CN2CCC[C@@H]2CNC(=O)[C@H](C)C#N)c1 ZINC001372506680 1156482197 /nfs/dbraw/zinc/48/21/97/1156482197.db2.gz BQRXLFVUKYCQBS-RHSMWYFYSA-N 0 3 315.417 2.073 20 30 DEEDHN CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001391531500 1156500933 /nfs/dbraw/zinc/50/09/33/1156500933.db2.gz ZJZRADJRQPFWSY-GJZGRUSLSA-N 0 3 300.406 2.221 20 30 DEEDHN CC#CCN(C)CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001561032629 1156552909 /nfs/dbraw/zinc/55/29/09/1156552909.db2.gz LCWUZSUZWUWDRE-UHFFFAOYSA-N 0 3 310.438 2.406 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)Cc3ccco3)C2)c1 ZINC001372667684 1156657963 /nfs/dbraw/zinc/65/79/63/1156657963.db2.gz RAKUDFUZDAAHOC-QGZVFWFLSA-N 0 3 323.396 2.332 20 30 DEEDHN CC(C)c1cccc(CNC[C@H](C)N(C)C(=O)[C@H](C)C#N)n1 ZINC001392049830 1156857164 /nfs/dbraw/zinc/85/71/64/1156857164.db2.gz LEOBOQKGQGDZIA-KGLIPLIRSA-N 0 3 302.422 2.301 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)c1cncc(F)c1 ZINC001392549250 1157116665 /nfs/dbraw/zinc/11/66/65/1157116665.db2.gz DTQAPVRVPZOARW-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2cccc(C#N)c2)n1C ZINC001392626923 1157236473 /nfs/dbraw/zinc/23/64/73/1157236473.db2.gz CRBZPWFDGFYYPU-AWEZNQCLSA-N 0 3 324.428 2.456 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCC2CCN(C/C=C/Cl)CC2)c1 ZINC001373938244 1157482725 /nfs/dbraw/zinc/48/27/25/1157482725.db2.gz MRQMQQDDCSYKEQ-ORCRQEGFSA-N 0 3 320.824 2.471 20 30 DEEDHN N#Cc1cc(C(=O)NCC2(NC/C=C/c3ccccc3)CC2)c[nH]1 ZINC001392902445 1157530592 /nfs/dbraw/zinc/53/05/92/1157530592.db2.gz OYYAIQNRNOFNQD-QPJJXVBHSA-N 0 3 320.396 2.452 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@]23CCOC3)CCCC1 ZINC001374179874 1157694535 /nfs/dbraw/zinc/69/45/35/1157694535.db2.gz VTYBWTDTJIUFTF-ZFWWWQNUSA-N 0 3 312.841 2.184 20 30 DEEDHN CC(C)C(=O)NCC1(NCc2ccc(C#N)s2)CCOCC1 ZINC001393198114 1157755077 /nfs/dbraw/zinc/75/50/77/1157755077.db2.gz NTPFGKSUXXNOAY-UHFFFAOYSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)CC1CC1)C(C)C ZINC001374406124 1157836907 /nfs/dbraw/zinc/83/69/07/1157836907.db2.gz HJULNTHDAUWGSR-GFCCVEGCSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]cn1 ZINC001374392501 1157837031 /nfs/dbraw/zinc/83/70/31/1157837031.db2.gz GJDBUYMWELGDHK-IUODEOHRSA-N 0 3 324.856 2.312 20 30 DEEDHN Cc1ccc(CN(C)CCN(C)C(=O)c2ccc(C#N)[nH]2)cc1 ZINC001374482593 1157871090 /nfs/dbraw/zinc/87/10/90/1157871090.db2.gz JQUMAFQEOVLTGZ-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN CC(C)SCC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001374736095 1157992308 /nfs/dbraw/zinc/99/23/08/1157992308.db2.gz LAZBEASZMFWLTC-LLVKDONJSA-N 0 3 311.476 2.356 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC001394099255 1158274486 /nfs/dbraw/zinc/27/44/86/1158274486.db2.gz KRAYGYNZIKMOQN-CJNGLKHVSA-N 0 3 321.396 2.274 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001394279825 1158403727 /nfs/dbraw/zinc/40/37/27/1158403727.db2.gz CRQPSPBTKWXBRF-ZDUSSCGKSA-N 0 3 313.873 2.050 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H](CNCc1ccccc1F)C1CC1 ZINC001394413066 1158500724 /nfs/dbraw/zinc/50/07/24/1158500724.db2.gz AJMHRHVHQSCEGQ-BLLLJJGKSA-N 0 3 303.381 2.312 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CC34CCC4)CC2)cc1 ZINC001375489820 1158761945 /nfs/dbraw/zinc/76/19/45/1158761945.db2.gz KXSDZPUBOKDGNM-INIZCTEOSA-N 0 3 309.413 2.487 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C(C)(F)F)C1 ZINC001375518327 1158798814 /nfs/dbraw/zinc/79/88/14/1158798814.db2.gz RDQLELCPCPTWGT-KYZUINATSA-N 0 3 311.170 2.035 20 30 DEEDHN Cc1cccnc1CNC[C@H](NC(=O)[C@@H](C)C#N)C1CCCC1 ZINC001375784283 1158871418 /nfs/dbraw/zinc/87/14/18/1158871418.db2.gz KHVWVXNFLFVTEV-YOEHRIQHSA-N 0 3 314.433 2.314 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cc[nH]c1)NCc1ccc(C#N)c(F)c1 ZINC001403554453 1162997043 /nfs/dbraw/zinc/99/70/43/1162997043.db2.gz JNAOGWLTNFVELF-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001376623900 1159610970 /nfs/dbraw/zinc/61/09/70/1159610970.db2.gz MCNVFOPXXNHVPN-GRIRQICOSA-N 0 3 301.365 2.093 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCC(NCc2ccncc2Cl)CC1 ZINC001376666677 1159656073 /nfs/dbraw/zinc/65/60/73/1159656073.db2.gz QWTWFECAZOSUCK-LMWSTFAQSA-N 0 3 320.824 2.412 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)CC)C1 ZINC001397096495 1159977135 /nfs/dbraw/zinc/97/71/35/1159977135.db2.gz NQCXMWYXKRANNY-DLOVCJGASA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001397076520 1159947159 /nfs/dbraw/zinc/94/71/59/1159947159.db2.gz LYSLYOYYEJPJGK-MJBXVCDLSA-N 0 3 314.857 2.429 20 30 DEEDHN CCN(CCNC(=O)c1ccc(C)n1C)Cc1ccc(C#N)cc1 ZINC001377293055 1160146806 /nfs/dbraw/zinc/14/68/06/1160146806.db2.gz SIDDCFLDBGKTAT-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001377484712 1160416563 /nfs/dbraw/zinc/41/65/63/1160416563.db2.gz YVNJYMHVCWJEHN-LBPRGKRZSA-N 0 3 320.824 2.342 20 30 DEEDHN CCC(=O)NCC[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001377680682 1160718202 /nfs/dbraw/zinc/71/82/02/1160718202.db2.gz UVRWFHWHPNITIL-CYBMUJFWSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)CN2CCCC2)C1 ZINC001398794695 1161105627 /nfs/dbraw/zinc/10/56/27/1161105627.db2.gz PRXOMXNBKKEKIE-GJZGRUSLSA-N 0 3 313.873 2.051 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1CCOC1CCCCCC1 ZINC001399832537 1161581777 /nfs/dbraw/zinc/58/17/77/1161581777.db2.gz NKXNCFQUZNJAAY-HOTGVXAUSA-N 0 3 321.465 2.466 20 30 DEEDHN N#Cc1cc(C(=O)NCCN(Cc2ccccc2)C2CC2)c[nH]1 ZINC001399999386 1161629973 /nfs/dbraw/zinc/62/99/73/1161629973.db2.gz OBFZFROAYMJZDU-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)Cc1ccco1 ZINC001401136658 1161880971 /nfs/dbraw/zinc/88/09/71/1161880971.db2.gz AHFNFXGDDJQRNP-CQSZACIVSA-N 0 3 311.385 2.236 20 30 DEEDHN CCC[C@H](OC)C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001401239190 1161901293 /nfs/dbraw/zinc/90/12/93/1161901293.db2.gz IVLLBKRLYUNOFB-DOMZBBRYSA-N 0 3 323.462 2.371 20 30 DEEDHN COc1cc(CN(C)CCN(C)C(=O)[C@@H](C)C#N)ccc1C ZINC001401360333 1161950752 /nfs/dbraw/zinc/95/07/52/1161950752.db2.gz XLVHLUSOEURQTK-AWEZNQCLSA-N 0 3 303.406 2.054 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001401677958 1162072407 /nfs/dbraw/zinc/07/24/07/1162072407.db2.gz VEUFLRSOKBGRQD-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001401772971 1162122681 /nfs/dbraw/zinc/12/26/81/1162122681.db2.gz USFBKLBMERMTEY-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001405429208 1164088368 /nfs/dbraw/zinc/08/83/68/1164088368.db2.gz NEXZWJGBSWQQNE-PXCJXSSVSA-N 0 3 314.857 2.165 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC001405508048 1164125365 /nfs/dbraw/zinc/12/53/65/1164125365.db2.gz RUXKNPXJBFZZFQ-UBHSHLNASA-N 0 3 316.405 2.229 20 30 DEEDHN Cc1cccnc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001406350327 1164548469 /nfs/dbraw/zinc/54/84/69/1164548469.db2.gz NWUNQJBIMWTILM-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN Cc1ncsc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001406456725 1164616013 /nfs/dbraw/zinc/61/60/13/1164616013.db2.gz RDQFYAIEKVCEEG-VIFPVBQESA-N 0 3 320.443 2.293 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2(NC/C=C/c3ccccc3)CC2)[nH]1 ZINC001406911092 1164881061 /nfs/dbraw/zinc/88/10/61/1164881061.db2.gz TYIVLZSPVGTQPR-QPJJXVBHSA-N 0 3 320.396 2.452 20 30 DEEDHN Cc1cncc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)c1 ZINC001418210689 1167491847 /nfs/dbraw/zinc/49/18/47/1167491847.db2.gz PQEKQWQSQVDVIM-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN CCc1[nH]ccc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001418219312 1167499285 /nfs/dbraw/zinc/49/92/85/1167499285.db2.gz TTXICBBDMXFBCD-LLVKDONJSA-N 0 3 316.430 2.418 20 30 DEEDHN CCCC(=O)NC[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC001418604787 1167838923 /nfs/dbraw/zinc/83/89/23/1167838923.db2.gz VSSVIQBPIYJBSG-MRXNPFEDSA-N 0 3 315.417 2.470 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001418818753 1167984841 /nfs/dbraw/zinc/98/48/41/1167984841.db2.gz WDLSJGYLHMOMEX-ZUZCIYMTSA-N 0 3 307.344 2.160 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2n[nH]c3c2CCC3)CCCC1 ZINC001419307120 1168389625 /nfs/dbraw/zinc/38/96/25/1168389625.db2.gz IMUVIWCWPOFXBK-UHFFFAOYSA-N 0 3 322.840 2.283 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNCc1ccccc1OC1CC1 ZINC001419647260 1168746748 /nfs/dbraw/zinc/74/67/48/1168746748.db2.gz KDEWBWFKVSOKSY-KBPBESRZSA-N 0 3 315.417 2.324 20 30 DEEDHN COCCC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001420016649 1169067075 /nfs/dbraw/zinc/06/70/75/1169067075.db2.gz MWYDDHSJHSRVBO-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1cncs1 ZINC001420058890 1169118527 /nfs/dbraw/zinc/11/85/27/1169118527.db2.gz HUSUJWTZXBVYMR-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)C(F)(F)F ZINC001420460395 1169592796 /nfs/dbraw/zinc/59/27/96/1169592796.db2.gz QSFWIZYYDRAACO-IUCAKERBSA-N 0 3 319.352 2.412 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421184042 1171563384 /nfs/dbraw/zinc/56/33/84/1171563384.db2.gz NQOSEZRHOTWTFI-IFXJQAMLSA-N 0 3 311.429 2.416 20 30 DEEDHN Cc1cccc(CN2CC[C@H](Nc3cnc(C#N)c(C#N)n3)C2)c1 ZINC001421204782 1171588137 /nfs/dbraw/zinc/58/81/37/1171588137.db2.gz MCZGWQGUMKBKDK-HNNXBMFYSA-N 0 3 318.384 2.215 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H](C)NC(=O)CCCF ZINC001422367329 1172522012 /nfs/dbraw/zinc/52/20/12/1172522012.db2.gz JSOJONZTEICRBL-OLZOCXBDSA-N 0 3 321.396 2.299 20 30 DEEDHN CS[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001422791285 1172865408 /nfs/dbraw/zinc/86/54/08/1172865408.db2.gz SHBAQCIVKOIIJV-QWHCGFSZSA-N 0 3 305.447 2.246 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001422906875 1172914806 /nfs/dbraw/zinc/91/48/06/1172914806.db2.gz XAUIHKAZJNBYFQ-JOCQHMNTSA-N 0 3 324.856 2.489 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001423010013 1173013432 /nfs/dbraw/zinc/01/34/32/1173013432.db2.gz OZPVHFDBESILSP-VCTAVGKDSA-N 0 3 303.431 2.260 20 30 DEEDHN COCCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001424530842 1173820973 /nfs/dbraw/zinc/82/09/73/1173820973.db2.gz POTOFZQMAXYCGO-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1cc(C(=O)NCC[C@H](C)NCc2ccccc2C#N)no1 ZINC001424555671 1173831183 /nfs/dbraw/zinc/83/11/83/1173831183.db2.gz QQGIKUQQKBYNJI-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C1CC(NCc2cccc(F)c2F)C1 ZINC001426234511 1174663726 /nfs/dbraw/zinc/66/37/26/1174663726.db2.gz MUTHPZPFSUGNCG-QFWMXSHPSA-N 0 3 307.344 2.203 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001436676159 1179182514 /nfs/dbraw/zinc/18/25/14/1179182514.db2.gz YLIFIFFSKABCDB-AWEZNQCLSA-N 0 3 301.862 2.002 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H](CC)SC)C1 ZINC001436946615 1179314825 /nfs/dbraw/zinc/31/48/25/1179314825.db2.gz SFQZNKINODEURH-OUAUKWLOSA-N 0 3 321.284 2.273 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](CNC(=O)C(F)F)C2)c1 ZINC001436983552 1179330047 /nfs/dbraw/zinc/33/00/47/1179330047.db2.gz WVLLAENHJJZFRD-AWEZNQCLSA-N 0 3 307.344 2.152 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC001437662512 1179881687 /nfs/dbraw/zinc/88/16/87/1179881687.db2.gz SXTSQCILTRTEBA-CJNGLKHVSA-N 0 3 310.401 2.408 20 30 DEEDHN CCCN(CCNC(=O)[C@@H](C)C#N)Cc1ccc(F)c(C#N)c1 ZINC001437746536 1179937221 /nfs/dbraw/zinc/93/72/21/1179937221.db2.gz SIIWUGRAUISVMB-ZDUSSCGKSA-N 0 3 316.380 2.185 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(C)C ZINC001438829918 1180824636 /nfs/dbraw/zinc/82/46/36/1180824636.db2.gz QNGNGKZLHJWEMO-ZNMIVQPWSA-N 0 3 324.856 2.007 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001439350970 1181037699 /nfs/dbraw/zinc/03/76/99/1181037699.db2.gz CRIOGSZIEFSALM-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)Cc1ccc[nH]1 ZINC001439405118 1181076561 /nfs/dbraw/zinc/07/65/61/1181076561.db2.gz JMMBPSZDNLUNHH-CQSZACIVSA-N 0 3 310.401 2.066 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CC1 ZINC001439635548 1181178094 /nfs/dbraw/zinc/17/80/94/1181178094.db2.gz JXCRQAPEQIFZTD-CQSZACIVSA-N 0 3 319.380 2.053 20 30 DEEDHN CCOCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440729723 1181660044 /nfs/dbraw/zinc/66/00/44/1181660044.db2.gz OZCGTYQBNUUYBU-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)C1CCOCC1 ZINC001440783691 1181690842 /nfs/dbraw/zinc/69/08/42/1181690842.db2.gz ZWNLNNHIMKBMSF-VXGBXAGGSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC001441367235 1181958457 /nfs/dbraw/zinc/95/84/57/1181958457.db2.gz UMHIAPQUIBUYDJ-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)c1Cl ZINC001441386653 1181970425 /nfs/dbraw/zinc/97/04/25/1181970425.db2.gz NNHIEWFMEWADDJ-RAIGVLPGSA-N 0 3 321.808 2.245 20 30 DEEDHN C[C@H](CNC(=O)C[C@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001441800332 1182169892 /nfs/dbraw/zinc/16/98/92/1182169892.db2.gz ZTAUCZWRNIXOMS-CHWSQXEVSA-N 0 3 321.446 2.173 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2ccc(C)cc2n1 ZINC001442273128 1182399161 /nfs/dbraw/zinc/39/91/61/1182399161.db2.gz MRGDTPYCUAGGRY-CYBMUJFWSA-N 0 3 320.824 2.493 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(Cc1cccc2cccnc21)C1CC1 ZINC001442990464 1182821291 /nfs/dbraw/zinc/82/12/91/1182821291.db2.gz AQJGFYAKDAZPAN-AWEZNQCLSA-N 0 3 322.412 2.475 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)C#N)NCc1cccc(C(C)C)n1 ZINC001443890454 1183186946 /nfs/dbraw/zinc/18/69/46/1183186946.db2.gz CEJDCLSCBNXKJR-ZIAGYGMSSA-N 0 3 302.422 2.349 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2c(C)cnn2C)CCCC1 ZINC001444071222 1183277811 /nfs/dbraw/zinc/27/78/11/1183277811.db2.gz HHZLKAXPGXCLFC-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)COCC)CCCC[C@H]1C ZINC001444155299 1183302378 /nfs/dbraw/zinc/30/23/78/1183302378.db2.gz HNICSFSXZXIRFL-IUODEOHRSA-N 0 3 302.846 2.430 20 30 DEEDHN CO[C@H](C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001444597252 1183477394 /nfs/dbraw/zinc/47/73/94/1183477394.db2.gz JCPGOFQRJLYSBV-QWHCGFSZSA-N 0 3 323.462 2.371 20 30 DEEDHN COc1cccc([C@H](C)N(C)CCN(C)C(=O)[C@H](C)C#N)c1 ZINC001444956046 1183670305 /nfs/dbraw/zinc/67/03/05/1183670305.db2.gz MVWOCILJNFOITR-KGLIPLIRSA-N 0 3 303.406 2.306 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC001445448403 1183875421 /nfs/dbraw/zinc/87/54/21/1183875421.db2.gz SEWOYBFGQXIJBT-ZIAGYGMSSA-N 0 3 317.433 2.453 20 30 DEEDHN Cc1nc(CNC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001446589993 1184433131 /nfs/dbraw/zinc/43/31/31/1184433131.db2.gz XWRDRIMTEQUJRO-BDJLRTHQSA-N 0 3 320.462 2.248 20 30 DEEDHN Cc1ncccc1CN1CCC[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001446654942 1184475606 /nfs/dbraw/zinc/47/56/06/1184475606.db2.gz ALAJITONRNCZBV-KDOFPFPSSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001446942122 1184584996 /nfs/dbraw/zinc/58/49/96/1184584996.db2.gz IMYUJTSUZWQFFB-AAEUAGOBSA-N 0 3 308.809 2.442 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(Cc2ccc3ncccc3c2)C1 ZINC001448288419 1185151707 /nfs/dbraw/zinc/15/17/07/1185151707.db2.gz TWGSFLLUMKQIJV-UONOGXRCSA-N 0 3 322.412 2.331 20 30 DEEDHN CC1(C(=O)NC[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001448423977 1185219709 /nfs/dbraw/zinc/21/97/09/1185219709.db2.gz QXGRECFAYARFLC-OSYLJGHBSA-N 0 3 309.413 2.152 20 30 DEEDHN CC[C@@H](CN(C)CCN(C(=O)c1c[nH]c(C#N)c1)C(C)C)OC ZINC001449248841 1185584045 /nfs/dbraw/zinc/58/40/45/1185584045.db2.gz LHUHPVPRYGZEIK-INIZCTEOSA-N 0 3 320.437 2.094 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC[C@H]2CCCO2)C1 ZINC001449371948 1185682059 /nfs/dbraw/zinc/68/20/59/1185682059.db2.gz HTWZYCCEYKZMJT-JXQTWKCFSA-N 0 3 300.830 2.277 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C(C)(C)C(F)F)CC1 ZINC001479891887 1151106241 /nfs/dbraw/zinc/10/62/41/1151106241.db2.gz GKLMSJIYDFPMTQ-UHFFFAOYSA-N 0 3 318.408 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001370480765 1149780933 /nfs/dbraw/zinc/78/09/33/1149780933.db2.gz BQWOKRNRCMVYEM-IHRRRGAJSA-N 0 3 302.846 2.427 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H](NCc2ccnn2C)C[C@@H]1C ZINC001332016579 1149808581 /nfs/dbraw/zinc/80/85/81/1149808581.db2.gz VYKSDKUEGRMCDZ-JKSUJKDBSA-N 0 3 316.449 2.083 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)ccc2C)C1 ZINC001332048912 1149813005 /nfs/dbraw/zinc/81/30/05/1149813005.db2.gz NVNYLEGUUMMEIN-IAGOWNOFSA-N 0 3 314.429 2.146 20 30 DEEDHN CC(C)CC(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001370597744 1149817272 /nfs/dbraw/zinc/81/72/72/1149817272.db2.gz KFYUUEQRFSYDPZ-GASCZTMLSA-N 0 3 303.381 2.480 20 30 DEEDHN C#CCCCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001332090275 1149818328 /nfs/dbraw/zinc/81/83/28/1149818328.db2.gz LNXGIZIEJZHION-IEBWSBKVSA-N 0 3 311.429 2.498 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CN(C)CCc1c(F)cccc1F ZINC001406590816 1164707472 /nfs/dbraw/zinc/70/74/72/1164707472.db2.gz RYNAEJLJIYZEKS-VXGBXAGGSA-N 0 3 309.360 2.103 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCc3csc(C)n3)CCC[C@@H]12 ZINC001332109326 1149820581 /nfs/dbraw/zinc/82/05/81/1149820581.db2.gz GBUMUXRHPDAZCK-WBVHZDCISA-N 0 3 317.458 2.131 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(CCn2cccn2)[C@@H]1C ZINC001332183312 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C=CCN1CC=C(CNC(=O)[C@H](OC)c2ccccc2)CC1 ZINC001333432824 1150049126 /nfs/dbraw/zinc/04/91/26/1150049126.db2.gz FLZMUBPELDOFTE-QGZVFWFLSA-N 0 3 300.402 2.308 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC(=O)N(C)C ZINC001099316031 783049220 /nfs/dbraw/zinc/04/92/20/783049220.db2.gz KPLNBSHSGXLYAJ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2CC)CC(C)(C)C1 ZINC001089426422 783095865 /nfs/dbraw/zinc/09/58/65/783095865.db2.gz CPUYPFJYDLEGIH-CQSZACIVSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)CC(C)(C)C1 ZINC001089438550 783106960 /nfs/dbraw/zinc/10/69/60/783106960.db2.gz JWOPGWFPPKRVES-FCEWJHQRSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)CC(C)(C)C1 ZINC001089437612 783107738 /nfs/dbraw/zinc/10/77/38/783107738.db2.gz FADFWYPZUIIKLV-JKSUJKDBSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)CC(C)(C)C1 ZINC001089473440 783143282 /nfs/dbraw/zinc/14/32/82/783143282.db2.gz 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C#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2C)C[C@H]1C ZINC000947754849 783223317 /nfs/dbraw/zinc/22/33/17/783223317.db2.gz VSTNAPUOXIGSQV-UKRRQHHQSA-N 0 3 300.402 2.220 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)[C@H](O)C1 ZINC001090540414 790339646 /nfs/dbraw/zinc/33/96/46/790339646.db2.gz OVZJGQMATLJEMT-JKSUJKDBSA-N 0 3 322.836 2.390 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CO[C@H]3CCCC[C@H]3C)C2)C1 ZINC001073026798 790401037 /nfs/dbraw/zinc/40/10/37/790401037.db2.gz PQPDPWLORIZXTI-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCc4ccccc4O3)C2)C1 ZINC001073063921 790425825 /nfs/dbraw/zinc/42/58/25/790425825.db2.gz QNVWHBLAFCTLRS-QGZVFWFLSA-N 0 3 312.413 2.101 20 30 DEEDHN N#Cc1ccc(CCN2CCCN(C(=O)C3CCC3)CC2)cc1 ZINC001208926182 776640402 /nfs/dbraw/zinc/64/04/02/776640402.db2.gz IFSVBJDGGSORSW-UHFFFAOYSA-N 0 3 311.429 2.435 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)CCCF)C2)s1 ZINC001209086386 776663430 /nfs/dbraw/zinc/66/34/30/776663430.db2.gz LNDOTWZYVYJGKN-GFCCVEGCSA-N 0 3 309.410 2.450 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001209168612 776674545 /nfs/dbraw/zinc/67/45/45/776674545.db2.gz GJOMGPAWGCYZBF-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc4c(C)cccn4c3)C2)C1 ZINC001073121169 790471055 /nfs/dbraw/zinc/47/10/55/790471055.db2.gz MYDAGIIHXHGMMR-UHFFFAOYSA-N 0 3 321.424 2.419 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@](C)(OC)c3ccccc3)C2)C1 ZINC001073132236 790477830 /nfs/dbraw/zinc/47/78/30/790477830.db2.gz VNTOYOCYQUNASU-GOSISDBHSA-N 0 3 314.429 2.269 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001167362860 776951582 /nfs/dbraw/zinc/95/15/82/776951582.db2.gz CWSGXKXSGWJNDZ-UHFFFAOYSA-N 0 3 318.465 2.418 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001167422498 777015684 /nfs/dbraw/zinc/01/56/84/777015684.db2.gz RLLJFVVGDVFAMW-GFCCVEGCSA-N 0 3 324.856 2.217 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccc(C)o1)C[C@@H](C)O2 ZINC001098559545 777241667 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CC#CCN[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1c1ccccc1 ZINC001211580024 777477945 /nfs/dbraw/zinc/47/79/45/777477945.db2.gz DBIVPKVYQDRXBT-DLBZAZTESA-N 0 3 323.396 2.204 20 30 DEEDHN C=CCCCC(=O)NCC1CC(N[C@H](C)c2cnccn2)C1 ZINC001100623257 777483528 /nfs/dbraw/zinc/48/35/28/777483528.db2.gz GAGRXUHXVQHSRK-WLYUNCDWSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001104491892 777540382 /nfs/dbraw/zinc/54/03/82/777540382.db2.gz HCVVAIURNIIVGR-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CC=CC1)C[C@@H](C)O2 ZINC001098578621 777565767 /nfs/dbraw/zinc/56/57/67/777565767.db2.gz ZQFCAOQLCWXBIJ-OAHLLOKOSA-N 0 3 304.434 2.221 20 30 DEEDHN Cc1nc(NCCc2ccc(C#N)cc2)cc(N2CCOCC2)n1 ZINC001167677404 777597525 /nfs/dbraw/zinc/59/75/25/777597525.db2.gz ZQESORNSNKIHCL-UHFFFAOYSA-N 0 3 323.400 2.148 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCOCC3)C(C)(C)[C@H]21 ZINC001087268510 777668874 /nfs/dbraw/zinc/66/88/74/777668874.db2.gz 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C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ncccc1F ZINC001087310343 777767670 /nfs/dbraw/zinc/76/76/70/777767670.db2.gz VBYJOZVGMRITGK-UHOFOFEASA-N 0 3 315.392 2.073 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3nocc3C)C(C)(C)[C@@H]21 ZINC001087312594 777772099 /nfs/dbraw/zinc/77/20/99/777772099.db2.gz HETZHAISQXLGDA-BPLDGKMQSA-N 0 3 303.406 2.388 20 30 DEEDHN N#Cc1ccc2c(c1)ncnc2-n1nc(CN)c2ccccc21 ZINC001167695414 777866296 /nfs/dbraw/zinc/86/62/96/777866296.db2.gz IFPQSOMOQWUKCR-UHFFFAOYSA-N 0 3 300.325 2.299 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](O)C1 ZINC001090828558 790579721 /nfs/dbraw/zinc/57/97/21/790579721.db2.gz RDNGKKIXBZSIDX-ZWKOTPCHSA-N 0 3 314.429 2.305 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090835762 790583403 /nfs/dbraw/zinc/58/34/03/790583403.db2.gz IVPFODWDSLVYNZ-ZWKOTPCHSA-N 0 3 314.429 2.305 20 30 DEEDHN CO[C@H](C(=O)NCCNCc1ccc(C#N)s1)C1CCCC1 ZINC001149278169 778392759 /nfs/dbraw/zinc/39/27/59/778392759.db2.gz 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/nfs/dbraw/zinc/66/37/73/790663773.db2.gz CIFNNRHDKRIMNO-INIZCTEOSA-N 0 3 302.393 2.288 20 30 DEEDHN CCC(=O)N[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H]1CC ZINC001087478411 779152843 /nfs/dbraw/zinc/15/28/43/779152843.db2.gz PGNACLNTMQYOLF-DLBZAZTESA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H](C)OC)CC1 ZINC001105389676 779261629 /nfs/dbraw/zinc/26/16/29/779261629.db2.gz WAUCEHHIIGDPRZ-CRAIPNDOSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=C)C)C[C@H]21 ZINC001075804913 779301056 /nfs/dbraw/zinc/30/10/56/779301056.db2.gz GIQLEODIAJWNBF-HZMVEIRTSA-N 0 3 304.434 2.076 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@H]1CC ZINC001087594217 779369326 /nfs/dbraw/zinc/36/93/26/779369326.db2.gz RQTNGDLUPXDBEG-DZGCQCFKSA-N 0 3 302.422 2.066 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncc(OC)cc2F)[C@H]1CC ZINC001087596121 779372008 /nfs/dbraw/zinc/37/20/08/779372008.db2.gz NATWOSKUYUDUDZ-LSDHHAIUSA-N 0 3 321.396 2.388 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(CC)ncnc2CC)[C@H]1CC ZINC001087728586 779426074 /nfs/dbraw/zinc/42/60/74/779426074.db2.gz FPCOOGLZDWAGHT-JKSUJKDBSA-N 0 3 316.449 2.370 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2noc3c2CCCC3)[C@H]1CC ZINC001087737414 779427714 /nfs/dbraw/zinc/42/77/14/779427714.db2.gz VDTJKMLQRRDPCJ-LSDHHAIUSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)[C@H]1CC ZINC001087746614 779434936 /nfs/dbraw/zinc/43/49/36/779434936.db2.gz HRVVEVVBTQLSFL-UXLLHSPISA-N 0 3 318.392 2.284 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(CCC)nc2C)[C@H]1CC ZINC001087773326 779447314 /nfs/dbraw/zinc/44/73/14/779447314.db2.gz HOTJIKBIEOPMSG-JKSUJKDBSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1CC ZINC001087779663 779448186 /nfs/dbraw/zinc/44/81/86/779448186.db2.gz RBYSDAMCBSRFBJ-LSDHHAIUSA-N 0 3 315.417 2.466 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nsnc32)[C@H]1CC ZINC001087780308 779448401 /nfs/dbraw/zinc/44/84/01/779448401.db2.gz ABBMSUYMMZJMHP-GXTWGEPZSA-N 0 3 316.430 2.460 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(OCC=C)cc3)C[C@@H]2C1 ZINC001088016463 779635904 /nfs/dbraw/zinc/63/59/04/779635904.db2.gz FXTPTFRVWMSTDX-MSOLQXFVSA-N 0 3 324.424 2.279 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(OC)c3)C[C@@H]2C1 ZINC001088033130 779647922 /nfs/dbraw/zinc/64/79/22/779647922.db2.gz UZEVMULPAHKQLZ-SJORKVTESA-N 0 3 312.413 2.031 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3nccc4occc43)C[C@@H]2C1 ZINC001088049672 779656101 /nfs/dbraw/zinc/65/61/01/779656101.db2.gz SOBZXYZVLMBRIM-CABCVRRESA-N 0 3 323.396 2.245 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC001088086029 779690588 /nfs/dbraw/zinc/69/05/88/779690588.db2.gz QKTOUOZFFHVHQM-SJORKVTESA-N 0 3 307.397 2.195 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(OC)cc3)C[C@@H]2C1 ZINC001088180065 779758734 /nfs/dbraw/zinc/75/87/34/779758734.db2.gz NRBYJBWOSRWAOH-SJORKVTESA-N 0 3 312.413 2.112 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001088228929 779784837 /nfs/dbraw/zinc/78/48/37/779784837.db2.gz DMHBTPMCHNYLAE-FUHWJXTLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001088232269 779786503 /nfs/dbraw/zinc/78/65/03/779786503.db2.gz MJJXPAFJYDHXCX-GYKBNXPHSA-N 0 3 306.450 2.468 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001073608366 790738053 /nfs/dbraw/zinc/73/80/53/790738053.db2.gz PFPRUSFAUGDWBR-GVDBMIGSSA-N 0 3 320.477 2.289 20 30 DEEDHN N#Cc1cncc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1 ZINC001144085719 790741764 /nfs/dbraw/zinc/74/17/64/790741764.db2.gz CKNZOZWSVRIUGM-DLBZAZTESA-N 0 3 302.397 2.352 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CCOC2)C1 ZINC001088273507 779894294 /nfs/dbraw/zinc/89/42/94/779894294.db2.gz FJVRGCRETODUIF-KBPBESRZSA-N 0 3 300.830 2.136 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc(C)n(C)n2)C1 ZINC001088274690 779895706 /nfs/dbraw/zinc/89/57/06/779895706.db2.gz ZTDVHNUVAQRDSA-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN CCc1nocc1CN[C@@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088281361 779903468 /nfs/dbraw/zinc/90/34/68/779903468.db2.gz LUUGEQJLIRGHCS-DZGCQCFKSA-N 0 3 318.421 2.257 20 30 DEEDHN N#Cc1cncc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC001144080641 790747188 /nfs/dbraw/zinc/74/71/88/790747188.db2.gz UGQZKKSYPYEJIL-GOSISDBHSA-N 0 3 304.353 2.049 20 30 DEEDHN C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001088366725 780028661 /nfs/dbraw/zinc/02/86/61/780028661.db2.gz SCFFRUIDCMMMPL-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2c(C)cnn2C)C1 ZINC001088365461 780033834 /nfs/dbraw/zinc/03/38/34/780033834.db2.gz LTSDBOWENQVMDA-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC001088567105 780491780 /nfs/dbraw/zinc/49/17/80/780491780.db2.gz VAPDRBQKEMRBIZ-ZBFHGGJFSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001073696732 790797945 /nfs/dbraw/zinc/79/79/45/790797945.db2.gz NFJKRGHJBATEJA-INIZCTEOSA-N 0 3 317.433 2.095 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H]1OC ZINC001212022465 780590622 /nfs/dbraw/zinc/59/06/22/780590622.db2.gz SCJLSHIIYRPOQO-KZNAEPCWSA-N 0 3 314.429 2.456 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccncc2F)[C@H](OC)C1 ZINC001212064518 780603353 /nfs/dbraw/zinc/60/33/53/780603353.db2.gz YZMVEIGRGQMNBW-DAXOMENPSA-N 0 3 321.396 2.004 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc[nH]c2C)[C@H](OC)C1 ZINC001212086809 780632860 /nfs/dbraw/zinc/63/28/60/780632860.db2.gz HODPFDHADSTONW-IAGOWNOFSA-N 0 3 319.449 2.499 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nccc3cccnc32)[C@H]1C ZINC001088630333 780666169 /nfs/dbraw/zinc/66/61/69/780666169.db2.gz YWGJWIHRKFMUNE-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@H]1C ZINC001088690356 780819012 /nfs/dbraw/zinc/81/90/12/780819012.db2.gz AOTDBBBWAPQVKX-HIFRSBDPSA-N 0 3 304.438 2.407 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)[C@H]1C ZINC001088732171 780922967 /nfs/dbraw/zinc/92/29/67/780922967.db2.gz RDSMYPUSXIXLEB-DOMZBBRYSA-N 0 3 306.356 2.489 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2conc2C(F)(F)F)[C@H]1C ZINC001088749051 780933798 /nfs/dbraw/zinc/93/37/98/780933798.db2.gz LDJINOMAONPFOJ-KOLCDFICSA-N 0 3 317.311 2.462 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001073752303 790843362 /nfs/dbraw/zinc/84/33/62/790843362.db2.gz UPNQKPFTJZHRKE-FUHWJXTLSA-N 0 3 314.429 2.110 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnc(OCC)c3)[C@@H]2C1 ZINC001076224093 781174630 /nfs/dbraw/zinc/17/46/30/781174630.db2.gz CYRZMLWRWMKUIC-JKSUJKDBSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCOc4ccccc43)[C@@H]2C1 ZINC001076366709 781235243 /nfs/dbraw/zinc/23/52/43/781235243.db2.gz FOOQUQPXALRICP-USXIJHARSA-N 0 3 312.413 2.271 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3c(C)noc3Cl)[C@@H]2C1 ZINC001076358343 781235516 /nfs/dbraw/zinc/23/55/16/781235516.db2.gz WDSBOAUOIYFFHG-GXTWGEPZSA-N 0 3 323.824 2.288 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC001076497964 781286336 /nfs/dbraw/zinc/28/63/36/781286336.db2.gz XHJYTDUYCZEFCV-FUHWJXTLSA-N 0 3 313.445 2.475 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3csc(COC)n3)[C@@H]2C1 ZINC001076630089 781332408 /nfs/dbraw/zinc/33/24/08/781332408.db2.gz LJUPNJSGLRQDOZ-GXTWGEPZSA-N 0 3 321.446 2.012 20 30 DEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3cnc(COC)s3)[C@@H]2C1 ZINC001076641830 781336091 /nfs/dbraw/zinc/33/60/91/781336091.db2.gz PQUVVXYLWQDGJR-QWHCGFSZSA-N 0 3 321.446 2.012 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccccc2C(C)(C)C)[C@@H](O)C1 ZINC001083553371 781367719 /nfs/dbraw/zinc/36/77/19/781367719.db2.gz ZUJQOSHDTBJXRC-SJORKVTESA-N 0 3 316.445 2.335 20 30 DEEDHN C=CCn1cccc1C(=O)NCC1CC(NCc2ccccn2)C1 ZINC001091068295 790887868 /nfs/dbraw/zinc/88/78/68/790887868.db2.gz HKADYCAKTIDCKL-UHFFFAOYSA-N 0 3 324.428 2.367 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCOC2)C1 ZINC001102765708 781557368 /nfs/dbraw/zinc/55/73/68/781557368.db2.gz DYESBRTXXIIMHW-YUELXQCFSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001073812970 790894865 /nfs/dbraw/zinc/89/48/65/790894865.db2.gz KIJCPQKMUDJOML-IXDOHACOSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001083629046 781662609 /nfs/dbraw/zinc/66/26/09/781662609.db2.gz AFONEIQCLWBWBX-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c[nH]nc2CCC)C1 ZINC001091110086 790910026 /nfs/dbraw/zinc/91/00/26/790910026.db2.gz LPONWMIWUOKIRQ-UHFFFAOYSA-N 0 3 310.829 2.213 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)/C=C\C(C)(C)C)C[C@]2(C)C1 ZINC001101182399 781791133 /nfs/dbraw/zinc/79/11/33/781791133.db2.gz QBALKDQGZYEOLU-RQUZMNLWSA-N 0 3 318.461 2.019 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1 ZINC001212166100 781807529 /nfs/dbraw/zinc/80/75/29/781807529.db2.gz RYHVGRHOGPIRPZ-APHBMKBZSA-N 0 3 306.406 2.372 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001077462093 781867736 /nfs/dbraw/zinc/86/77/36/781867736.db2.gz BZMKKGYBXNKFRS-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000947916235 783267053 /nfs/dbraw/zinc/26/70/53/783267053.db2.gz NYNYGZYRNVFAMX-CHWSQXEVSA-N 0 3 304.438 2.476 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630459 783296700 /nfs/dbraw/zinc/29/67/00/783296700.db2.gz KCKAQVRGGRPTNP-OAHLLOKOSA-N 0 3 312.417 2.130 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cn2CC)C[C@H]1C ZINC000948043914 783302598 /nfs/dbraw/zinc/30/25/98/783302598.db2.gz KQSPNAVFTWQCGQ-TZMCWYRMSA-N 0 3 307.825 2.377 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001089639012 783308812 /nfs/dbraw/zinc/30/88/12/783308812.db2.gz LDXPIPCMGHMNSY-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC001073873829 790931968 /nfs/dbraw/zinc/93/19/68/790931968.db2.gz LJYPYAUCMOLFAI-CQSZACIVSA-N 0 3 324.371 2.362 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1C ZINC000948108492 783325910 /nfs/dbraw/zinc/32/59/10/783325910.db2.gz GLWDWGNOMAYENM-VXGBXAGGSA-N 0 3 315.373 2.302 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1conc1CC ZINC001089691433 783356886 /nfs/dbraw/zinc/35/68/86/783356886.db2.gz PPXLHKRAGAXJSB-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc3cccn3cn2)CC1 ZINC000948541850 783495172 /nfs/dbraw/zinc/49/51/72/783495172.db2.gz JCCJJZUEXGENMR-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cccc3nccn32)CC1 ZINC000948616373 783530668 /nfs/dbraw/zinc/53/06/68/783530668.db2.gz IJFHZNXRTRHVHI-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1ccc(F)c(F)c1 ZINC001124483141 783549106 /nfs/dbraw/zinc/54/91/06/783549106.db2.gz KPJVYYDVHLPLCQ-GFCCVEGCSA-N 0 3 312.360 2.152 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC000966100012 783561464 /nfs/dbraw/zinc/56/14/64/783561464.db2.gz FZGSAVUGZQYDME-WMLDXEAASA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CN(CC)CC)CC1 ZINC001066193678 783563824 /nfs/dbraw/zinc/56/38/24/783563824.db2.gz INJPJCIXQDJSJR-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnn(C)c1C ZINC001085220794 783589471 /nfs/dbraw/zinc/58/94/71/783589471.db2.gz MNKGJJQUEHIUMP-HUUCEWRRSA-N 0 3 324.856 2.041 20 30 DEEDHN C#Cc1ccc(CN2CC[C@H](Oc3nccc(OC)n3)C2)cc1 ZINC001144581675 790955198 /nfs/dbraw/zinc/95/51/98/790955198.db2.gz XWBPLDUYPKATMK-INIZCTEOSA-N 0 3 309.369 2.120 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085357731 783651912 /nfs/dbraw/zinc/65/19/12/783651912.db2.gz MTDLZXSZHBUCHF-JJXSEGSLSA-N 0 3 312.429 2.344 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(CC)n(C)n1 ZINC001085441240 783687475 /nfs/dbraw/zinc/68/74/75/783687475.db2.gz NAWAGQVNCVJHEI-ZIAGYGMSSA-N 0 3 324.856 2.366 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2c1OCCO2 ZINC001085629131 783904853 /nfs/dbraw/zinc/90/48/53/783904853.db2.gz MDTZSNUQEISEEC-AWEZNQCLSA-N 0 3 316.401 2.180 20 30 DEEDHN CC[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000967255384 783910618 /nfs/dbraw/zinc/91/06/18/783910618.db2.gz FZIUTPSLWVRERG-SWLSCSKDSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C2CC2)cnn1C ZINC001085634792 783911595 /nfs/dbraw/zinc/91/15/95/783911595.db2.gz AAIQXABQFXBRFJ-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C2CC2)cnn1C ZINC001085637728 783926749 /nfs/dbraw/zinc/92/67/49/783926749.db2.gz XPSLLNDQCVHLQK-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000967285524 783931047 /nfs/dbraw/zinc/93/10/47/783931047.db2.gz VZHUIVNDOAMNNO-OCCSQVGLSA-N 0 3 307.825 2.142 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC000967377498 783970330 /nfs/dbraw/zinc/97/03/30/783970330.db2.gz KEHZCRCYYUVELL-KBXCAEBGSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccc(C)cc21 ZINC001085696018 783974321 /nfs/dbraw/zinc/97/43/21/783974321.db2.gz XVKPSIQWXBUPFE-CQSZACIVSA-N 0 3 310.401 2.041 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001085707900 783988048 /nfs/dbraw/zinc/98/80/48/783988048.db2.gz WAOBMMLQYCBZLO-RDJZCZTQSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418925 783993166 /nfs/dbraw/zinc/99/31/66/783993166.db2.gz DUVWHHTVZDKQJO-DZGCQCFKSA-N 0 3 311.385 2.291 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085722070 784003653 /nfs/dbraw/zinc/00/36/53/784003653.db2.gz NRAYQPLTGKTKNZ-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2c1CCOC2 ZINC001085718573 784003977 /nfs/dbraw/zinc/00/39/77/784003977.db2.gz UUQVTHCLPMJKFF-INIZCTEOSA-N 0 3 314.429 2.482 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc2ccncc21 ZINC001085744568 784036469 /nfs/dbraw/zinc/03/64/69/784036469.db2.gz NGBAYDMPJAFPAW-CQSZACIVSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccncc2C1 ZINC001085818806 784107594 /nfs/dbraw/zinc/10/75/94/784107594.db2.gz JSCXYHQJPIJFSS-AEFFLSMTSA-N 0 3 313.445 2.295 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@H]2CCN2CCC=C)cc1 ZINC001085857795 784144966 /nfs/dbraw/zinc/14/49/66/784144966.db2.gz HSPUXEMVCZGEDS-QGZVFWFLSA-N 0 3 312.413 2.421 20 30 DEEDHN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873552 784162586 /nfs/dbraw/zinc/16/25/86/784162586.db2.gz DRWYKINZRICANM-HNNXBMFYSA-N 0 3 310.401 2.041 20 30 DEEDHN Cc1nc(C(C)C)ccc1CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967945410 784183592 /nfs/dbraw/zinc/18/35/92/784183592.db2.gz WRMBXCMZURJUPH-XJKSGUPXSA-N 0 3 314.433 2.364 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000968038460 784211710 /nfs/dbraw/zinc/21/17/10/784211710.db2.gz ZUKGWILJMLORHU-GUYCJALGSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC000968058877 784215013 /nfs/dbraw/zinc/21/50/13/784215013.db2.gz NJIYWJJIIAXRRY-HOCLYGCPSA-N 0 3 319.449 2.358 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC2CC(C)C2)nc1 ZINC001085934295 784230735 /nfs/dbraw/zinc/23/07/35/784230735.db2.gz YFCQNCZZMFUVTP-PREGVCBESA-N 0 3 311.429 2.255 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(Cl)nn(C)c1C ZINC001085948105 784244222 /nfs/dbraw/zinc/24/42/22/784244222.db2.gz BFPHPFJPFLOELL-ZDUSSCGKSA-N 0 3 324.856 2.494 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCCCC2 ZINC001085968116 784268113 /nfs/dbraw/zinc/26/81/13/784268113.db2.gz CHUZYGYLEBAULZ-AWEZNQCLSA-N 0 3 316.449 2.401 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086003349 784306065 /nfs/dbraw/zinc/30/60/65/784306065.db2.gz GXUIOSMDZJNZKC-HNNXBMFYSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCOCC2 ZINC001086006648 784310057 /nfs/dbraw/zinc/31/00/57/784310057.db2.gz KRJPMIKMAKNWDA-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC000968353370 784316204 /nfs/dbraw/zinc/31/62/04/784316204.db2.gz FBOVDCPMSGHKDT-WFASDCNBSA-N 0 3 305.809 2.199 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001086017407 784325375 /nfs/dbraw/zinc/32/53/75/784325375.db2.gz XIMXVFIILAYJQX-XABYNWHXSA-N 0 3 315.392 2.338 20 30 DEEDHN C/C=C(\C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000968363384 784325488 /nfs/dbraw/zinc/32/54/88/784325488.db2.gz LMZFFLWJKGMMBJ-NEDLJVEISA-N 0 3 301.365 2.354 20 30 DEEDHN CC1CC(C(=O)N2CC[C@@H](NCc3ccc(C#N)s3)C2)C1 ZINC000968375797 784336840 /nfs/dbraw/zinc/33/68/40/784336840.db2.gz BRJCXIWQZMDPPK-WXRRBKDZSA-N 0 3 303.431 2.356 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001086059580 784367858 /nfs/dbraw/zinc/36/78/58/784367858.db2.gz KZWACVUFEASRLS-BJHJDKERSA-N 0 3 313.239 2.490 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968414034 784370505 /nfs/dbraw/zinc/37/05/05/784370505.db2.gz OQZODQYDNBRUNX-DOMZBBRYSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC000968418827 784373675 /nfs/dbraw/zinc/37/36/75/784373675.db2.gz OXCYUTVPLUGDRM-RHSMWYFYSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001086104677 784412118 /nfs/dbraw/zinc/41/21/18/784412118.db2.gz NQVNIHYHMJLFPS-LXTVHRRPSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ncccc2CC)C1 ZINC001086129607 784429197 /nfs/dbraw/zinc/42/91/97/784429197.db2.gz BEEWTLMXPADNDJ-XBXGTLAGSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000968678511 784536385 /nfs/dbraw/zinc/53/63/85/784536385.db2.gz RHVSEGIUVNEHLE-DOMZBBRYSA-N 0 3 317.433 2.420 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968680867 784537601 /nfs/dbraw/zinc/53/76/01/784537601.db2.gz DTEZFRSZXOZJSK-CZUORRHYSA-N 0 3 304.459 2.449 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)C3CC3)C2)c1 ZINC001086288757 784544766 /nfs/dbraw/zinc/54/47/66/784544766.db2.gz JJLSUJWTPYXPCI-NNUKFRKNSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001086298869 784558160 /nfs/dbraw/zinc/55/81/60/784558160.db2.gz XIMXVFIILAYJQX-DLKVLKDVSA-N 0 3 315.392 2.338 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1coc(CC)n1 ZINC000968822293 784606644 /nfs/dbraw/zinc/60/66/44/784606644.db2.gz SYZFIPSRINYLGN-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1c(F)cncc1F ZINC000968876600 784633046 /nfs/dbraw/zinc/63/30/46/784633046.db2.gz HGXUJJKBCRUJFN-ZDUSSCGKSA-N 0 3 321.371 2.358 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC000968895934 784642026 /nfs/dbraw/zinc/64/20/26/784642026.db2.gz HWTADYNBPFBKKD-KRWDZBQOSA-N 0 3 317.433 2.388 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(C)CCC)[C@H](C)C1 ZINC001074090265 791049725 /nfs/dbraw/zinc/04/97/25/791049725.db2.gz MRZDSVGGDWNYPQ-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001086431371 784729894 /nfs/dbraw/zinc/72/98/94/784729894.db2.gz KHBBGGHYUZQHBF-YYFQZIEXSA-N 0 3 312.841 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)nn(CC)c2C)C1 ZINC001086506024 784800546 /nfs/dbraw/zinc/80/05/46/784800546.db2.gz CQNXJIBZLQKRQO-HDJSIYSDSA-N 0 3 324.856 2.370 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001086511866 784816061 /nfs/dbraw/zinc/81/60/61/784816061.db2.gz JPVZZZUEUYHYCG-JOCQHMNTSA-N 0 3 310.829 2.062 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](O)C1 ZINC001100121455 784860544 /nfs/dbraw/zinc/86/05/44/784860544.db2.gz AERMIEOTKBHFLY-LSDHHAIUSA-N 0 3 308.466 2.024 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2CCC)[C@@H](O)C1 ZINC001090419074 785014360 /nfs/dbraw/zinc/01/43/60/785014360.db2.gz DFGCMIKABKGZSF-MSOLQXFVSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001007925291 785049455 /nfs/dbraw/zinc/04/94/55/785049455.db2.gz LIPNRBQXBSDWLD-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc2c1OCCCO2 ZINC001169198810 785083302 /nfs/dbraw/zinc/08/33/02/785083302.db2.gz BMLKJXKDJHZCLJ-UHFFFAOYSA-N 0 3 324.808 2.310 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(C[C@H](CC)OC)C2)cc1 ZINC001008150164 785121924 /nfs/dbraw/zinc/12/19/24/785121924.db2.gz SJRHONWOIYRYQA-MSOLQXFVSA-N 0 3 314.429 2.287 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(F)c(COC)c2)C1 ZINC001008461317 785210307 /nfs/dbraw/zinc/21/03/07/785210307.db2.gz WQRDWOISAKEJAI-INIZCTEOSA-N 0 3 318.392 2.190 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(C[C@H]3CCCCO3)C2)C1 ZINC001008466086 785211277 /nfs/dbraw/zinc/21/12/77/785211277.db2.gz UVGAXPFDXRGMPT-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001008491303 785222374 /nfs/dbraw/zinc/22/23/74/785222374.db2.gz ZTQDOAXUYBSHMJ-OLZOCXBDSA-N 0 3 322.840 2.163 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001008515752 785227490 /nfs/dbraw/zinc/22/74/90/785227490.db2.gz OOBAWAIXTCUFSX-AWEZNQCLSA-N 0 3 319.453 2.194 20 30 DEEDHN CC(=O)N1CC[C@H](N2CCC[C@@H](Oc3cccc(C#N)c3)C2)C1 ZINC001169555029 785237968 /nfs/dbraw/zinc/23/79/68/785237968.db2.gz DWQMDCSITJKBEH-FUHWJXTLSA-N 0 3 313.401 2.022 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001008851617 785316635 /nfs/dbraw/zinc/31/66/35/785316635.db2.gz YAFPOBBZLHQRPR-GOSISDBHSA-N 0 3 322.412 2.294 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCN[C@H](C)c1nnc(C)[nH]1 ZINC001169706589 785317549 /nfs/dbraw/zinc/31/75/49/785317549.db2.gz TVQRHTNFJFTQEP-QWHCGFSZSA-N 0 3 307.442 2.405 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001008878680 785319962 /nfs/dbraw/zinc/31/99/62/785319962.db2.gz YLEWJBXUDHQTJB-WMLDXEAASA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001333723366 1150083716 /nfs/dbraw/zinc/08/37/16/1150083716.db2.gz GMRITQROJFHXGV-UKRRQHHQSA-N 0 3 309.431 2.164 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001009057523 785372871 /nfs/dbraw/zinc/37/28/71/785372871.db2.gz JGFNBKKEHOWUGH-MRXNPFEDSA-N 0 3 307.397 2.452 20 30 DEEDHN CC(C)n1ccc(CNCCCC[C@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001169832246 785374090 /nfs/dbraw/zinc/37/40/90/785374090.db2.gz MQBQDTZRCHGUBQ-CABCVRRESA-N 0 3 319.453 2.388 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001009100939 785384097 /nfs/dbraw/zinc/38/40/97/785384097.db2.gz AQEMIGDDCWPDMI-GOSISDBHSA-N 0 3 307.397 2.452 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001009231439 785414564 /nfs/dbraw/zinc/41/45/64/785414564.db2.gz LVBJCBMGHQOLEL-INIZCTEOSA-N 0 3 318.465 2.219 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001009279495 785422232 /nfs/dbraw/zinc/42/22/32/785422232.db2.gz YYXRXCNZBVUNCH-MRXNPFEDSA-N 0 3 312.417 2.193 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001009296494 785424790 /nfs/dbraw/zinc/42/47/90/785424790.db2.gz TWXDABMGZQVHIL-IAGOWNOFSA-N 0 3 318.461 2.330 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001091343572 791115778 /nfs/dbraw/zinc/11/57/78/791115778.db2.gz HLQWOOLRZKIKQG-HNFVBEJKSA-N 0 3 319.836 2.033 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001009642670 785496363 /nfs/dbraw/zinc/49/63/63/785496363.db2.gz LPEQCEGVUFFLAB-DOTOQJQBSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109072267 785692648 /nfs/dbraw/zinc/69/26/48/785692648.db2.gz BRVAIWMWIDEBDH-IKGGRYGDSA-N 0 3 304.434 2.411 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1CC)C2 ZINC001109227991 785764085 /nfs/dbraw/zinc/76/40/85/785764085.db2.gz TVOIQRDJYLYSFM-COXVUDFISA-N 0 3 317.433 2.115 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC)OCC ZINC001109360945 785821078 /nfs/dbraw/zinc/82/10/78/785821078.db2.gz HVGJLYQLDVBVPV-QZWWFDLISA-N 0 3 324.465 2.116 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC)OCC ZINC001109360944 785821527 /nfs/dbraw/zinc/82/15/27/785821527.db2.gz HVGJLYQLDVBVPV-LTIDMASMSA-N 0 3 324.465 2.116 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC(C)C)CCC1 ZINC001109395531 785847902 /nfs/dbraw/zinc/84/79/02/785847902.db2.gz OQJZBUWOJUPYPL-IKGGRYGDSA-N 0 3 318.461 2.327 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOCC)CCC1 ZINC001109395534 785848545 /nfs/dbraw/zinc/84/85/45/785848545.db2.gz OSTRCKKBBSPSMZ-IKGGRYGDSA-N 0 3 318.461 2.328 20 30 DEEDHN Cc1ccc(CCN2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001010634637 785880163 /nfs/dbraw/zinc/88/01/63/785880163.db2.gz CNTPYXOCVGLZLN-KRWDZBQOSA-N 0 3 322.412 2.242 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@@H](C)O ZINC001109771435 786022299 /nfs/dbraw/zinc/02/22/99/786022299.db2.gz ZXYYXGIIGOWNBS-WCVJEAGWSA-N 0 3 308.466 2.471 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2COc3ccccc32)C1 ZINC001086565161 786269195 /nfs/dbraw/zinc/26/91/95/786269195.db2.gz ZLRSFIKCEKXIDK-YDHLFZDLSA-N 0 3 320.820 2.400 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)n1cnc2ccccc21 ZINC001170088957 786318691 /nfs/dbraw/zinc/31/86/91/786318691.db2.gz HNNOSLIJGIZFTO-CYBMUJFWSA-N 0 3 320.824 2.446 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC001113505988 786648782 /nfs/dbraw/zinc/64/87/82/786648782.db2.gz RNJUMLSDWKMKQX-QWHCGFSZSA-N 0 3 322.371 2.453 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001014721190 786722829 /nfs/dbraw/zinc/72/28/29/786722829.db2.gz IXRFBKKSFBLRIC-HZPDHXFCSA-N 0 3 317.433 2.047 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001014758691 786739385 /nfs/dbraw/zinc/73/93/85/786739385.db2.gz WDKIPTXTMZEYCD-OAHLLOKOSA-N 0 3 314.433 2.285 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001014844324 786773611 /nfs/dbraw/zinc/77/36/11/786773611.db2.gz FXISQFLDKXFPHA-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC2CN(C)C2)n1 ZINC001170253242 786889307 /nfs/dbraw/zinc/88/93/07/786889307.db2.gz JILLHMDVNMMALH-YISAHFMGSA-N 0 3 322.478 2.245 20 30 DEEDHN CC(C)=C(F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114142414 787125616 /nfs/dbraw/zinc/12/56/16/787125616.db2.gz DVDGDXDYIIWGSB-QLPKVWCKSA-N 0 3 313.376 2.368 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccnn2)C1 ZINC001086616820 787131186 /nfs/dbraw/zinc/13/11/86/787131186.db2.gz ZMTJXDPLJPYGCV-FUHWJXTLSA-N 0 3 322.412 2.251 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001015640042 787153226 /nfs/dbraw/zinc/15/32/26/787153226.db2.gz SWNQGGDZZGRLOU-INIZCTEOSA-N 0 3 311.429 2.487 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@H](C)C2CCC2)cc1C#N ZINC001130131345 787292911 /nfs/dbraw/zinc/29/29/11/787292911.db2.gz JJAUHYGXQBHLEL-CYBMUJFWSA-N 0 3 315.417 2.209 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(OCC)c2)CC1 ZINC000117793442 787315362 /nfs/dbraw/zinc/31/53/62/787315362.db2.gz WUIPJIHLCWSASA-UHFFFAOYSA-N 0 3 303.406 2.251 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(F)c(C#N)c2)[nH]1 ZINC001130310891 787343053 /nfs/dbraw/zinc/34/30/53/787343053.db2.gz HEEMZRYYKYYEIE-UHFFFAOYSA-N 0 3 314.364 2.162 20 30 DEEDHN C#CCCCCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC=C)C1 ZINC001130374822 787364252 /nfs/dbraw/zinc/36/42/52/787364252.db2.gz YQKDCTHTEXLQKL-OAHLLOKOSA-N 0 3 314.433 2.195 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015491 787449869 /nfs/dbraw/zinc/44/98/69/787449869.db2.gz HYUNIYGOBHPSBR-LLDVTBCESA-N 0 3 323.456 2.106 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)ncc1Cl)C2 ZINC001096107898 787509758 /nfs/dbraw/zinc/50/97/58/787509758.db2.gz FYKIPCFSGFQZAE-XBFCOCLRSA-N 0 3 320.824 2.350 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccc(C)o1)C2 ZINC001096121815 787513501 /nfs/dbraw/zinc/51/35/01/787513501.db2.gz HAPWAXHDBNMPET-FZKCQIBNSA-N 0 3 300.402 2.436 20 30 DEEDHN CC1(C)CO[C@H](CC(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001131226452 787572829 /nfs/dbraw/zinc/57/28/29/787572829.db2.gz MCCBZFWVACWBCG-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(C)C ZINC001096307658 787606349 /nfs/dbraw/zinc/60/63/49/787606349.db2.gz XTBRPCRBLNTVTP-ILXRZTDVSA-N 0 3 315.417 2.390 20 30 DEEDHN C[C@@H](Nc1nc(-c2ccccc2)ccc1C#N)[C@@H]1CNCCO1 ZINC001170557900 787607339 /nfs/dbraw/zinc/60/73/39/787607339.db2.gz IOZTWGVHSZKUBW-DYVFJYSZSA-N 0 3 308.385 2.409 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C=C(CC)CC)C[C@@H](C)O2 ZINC001131649091 787672530 /nfs/dbraw/zinc/67/25/30/787672530.db2.gz FQPKKJMWNWDGKA-VQIMIIECSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1OCc3ccccc31)C2 ZINC001096451506 787673200 /nfs/dbraw/zinc/67/32/00/787673200.db2.gz SZNVHMOKNMUFJA-BVBHFADKSA-N 0 3 324.424 2.393 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccc(C)n2C)CC[C@H]1C ZINC001131796334 787741554 /nfs/dbraw/zinc/74/15/54/787741554.db2.gz FEEMIFRJNMHQAU-HZPDHXFCSA-N 0 3 319.449 2.119 20 30 DEEDHN CC(C)OCCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037860 787900986 /nfs/dbraw/zinc/90/09/86/787900986.db2.gz JISFRFIMOGBBGO-HOTGVXAUSA-N 0 3 308.466 2.430 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCc2ccnn2C)C1 ZINC001132227976 787982862 /nfs/dbraw/zinc/98/28/62/787982862.db2.gz KBDLFORMALSCJD-GJZGRUSLSA-N 0 3 318.465 2.144 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC)c1ccccc1 ZINC001111443416 787992018 /nfs/dbraw/zinc/99/20/18/787992018.db2.gz KEMGBXWOBGLHMI-TVFCKZIOSA-N 0 3 314.429 2.324 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cn(C)nc2C)CC[C@H]1C ZINC001132339985 788036534 /nfs/dbraw/zinc/03/65/34/788036534.db2.gz LMPVEFUPMYUADK-PBHICJAKSA-N 0 3 318.465 2.206 20 30 DEEDHN C=CCCCCCN1C[C@H](NC(=O)c2cnon2)CC[C@@H]1C ZINC001132368692 788045371 /nfs/dbraw/zinc/04/53/71/788045371.db2.gz PNIGIBJMXKCIAM-UONOGXRCSA-N 0 3 306.410 2.399 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCn2cccc2)CC[C@H]1C ZINC001132384011 788051824 /nfs/dbraw/zinc/05/18/24/788051824.db2.gz HNVQTVAKSQLNIP-SJORKVTESA-N 0 3 319.449 2.050 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001086682306 788068842 /nfs/dbraw/zinc/06/88/42/788068842.db2.gz JBYDIICIYJKRSJ-GXTWGEPZSA-N 0 3 308.813 2.026 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COCc2ccccc2)CC[C@H]1C ZINC001132479150 788095807 /nfs/dbraw/zinc/09/58/07/788095807.db2.gz WDLOFYHNUZZKQZ-AEFFLSMTSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COCc2ccccc2)CC[C@@H]1C ZINC001132479151 788095877 /nfs/dbraw/zinc/09/58/77/788095877.db2.gz WDLOFYHNUZZKQZ-FUHWJXTLSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2cccc(F)c2)CC[C@H]1C ZINC001132489545 788103163 /nfs/dbraw/zinc/10/31/63/788103163.db2.gz LNKZUVQHOTWGMK-ZBFHGGJFSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(COC)c1)C2 ZINC001097462542 788106413 /nfs/dbraw/zinc/10/64/13/788106413.db2.gz MAGSPRLUNOHSBV-KURKYZTESA-N 0 3 312.413 2.191 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(=O)oc1C)C2 ZINC001097489094 788116505 /nfs/dbraw/zinc/11/65/05/788116505.db2.gz JAKKHNQEFQPYRX-KFWWJZLASA-N 0 3 316.401 2.168 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCNC(=O)CC(C)C)CC[C@@H]1C ZINC001132543065 788119382 /nfs/dbraw/zinc/11/93/82/788119382.db2.gz UTBVAGHDXRNOCY-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCn2ccnc2)CC[C@@H]1C ZINC001132546544 788120742 /nfs/dbraw/zinc/12/07/42/788120742.db2.gz NSRXOBLZBUXAFX-JKSUJKDBSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)C1(CC)CCC1 ZINC001132583953 788130290 /nfs/dbraw/zinc/13/02/90/788130290.db2.gz GNHZOWDLGWMPQJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@H](CNCc2nccn2C)C1 ZINC001132859540 788210246 /nfs/dbraw/zinc/21/02/46/788210246.db2.gz FEPJDXQZDCNSDY-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001133071912 788273472 /nfs/dbraw/zinc/27/34/72/788273472.db2.gz DFCITCMTKSPCCH-HIFRSBDPSA-N 0 3 319.453 2.044 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1C)C2 ZINC001097934368 788277339 /nfs/dbraw/zinc/27/73/39/788277339.db2.gz WVBNBJZTFUVRLG-OIISXLGYSA-N 0 3 312.413 2.362 20 30 DEEDHN CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCOC ZINC001133380002 788392534 /nfs/dbraw/zinc/39/25/34/788392534.db2.gz RNWFQJDVKVWXRN-UHFFFAOYSA-N 0 3 322.836 2.318 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2CCC(F)CC2)cc1F ZINC001133384833 788395527 /nfs/dbraw/zinc/39/55/27/788395527.db2.gz COXJTOAPGFMXLY-UHFFFAOYSA-N 0 3 321.371 2.431 20 30 DEEDHN CSCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133641379 788532255 /nfs/dbraw/zinc/53/22/55/788532255.db2.gz RHPONPYGGDQKOK-NEPJUHHUSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CSC ZINC001133640119 788532387 /nfs/dbraw/zinc/53/23/87/788532387.db2.gz FKGNIACBYDSESS-VHSXEESVSA-N 0 3 309.273 2.131 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(Cl)n1C ZINC001133889440 788659408 /nfs/dbraw/zinc/65/94/08/788659408.db2.gz WOKGWUGYFXQJPK-VXGBXAGGSA-N 0 3 312.845 2.413 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001133912777 788666158 /nfs/dbraw/zinc/66/61/58/788666158.db2.gz GXXKPCZQCJPJIH-GJZGRUSLSA-N 0 3 322.453 2.040 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccn1CC ZINC001134200672 788810036 /nfs/dbraw/zinc/81/00/36/788810036.db2.gz HKKGXFDBOOKIII-GJZGRUSLSA-N 0 3 304.438 2.079 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)C#CC1CC1)NCc1ccccc1C#N ZINC001134318525 788865600 /nfs/dbraw/zinc/86/56/00/788865600.db2.gz TUMOGYDKEUAIPP-HUUCEWRRSA-N 0 3 309.413 2.345 20 30 DEEDHN CC(C)n1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001134322053 788870391 /nfs/dbraw/zinc/87/03/91/788870391.db2.gz OKMAWZRFJFBBJR-GJZGRUSLSA-N 0 3 316.449 2.250 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)C#CC1CC1)NCc1cc(C2CC2)no1 ZINC001134320831 788870557 /nfs/dbraw/zinc/87/05/57/788870557.db2.gz APDKIQDEZDMFSW-STQMWFEESA-N 0 3 315.417 2.338 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCC(=O)N1CCCCCCC1 ZINC001134411669 788917890 /nfs/dbraw/zinc/91/78/90/788917890.db2.gz AQFBADXHCFIOLS-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cncc(OC)n1 ZINC001134476177 788951807 /nfs/dbraw/zinc/95/18/07/788951807.db2.gz ODOKFRQCIXZJDP-KBPBESRZSA-N 0 3 320.437 2.214 20 30 DEEDHN CC[C@@H](CC1CCCCC1)C(=O)NCCNCC#CCOC ZINC001134679307 789035219 /nfs/dbraw/zinc/03/52/19/789035219.db2.gz DKCQEHVQPVJWIC-KRWDZBQOSA-N 0 3 308.466 2.339 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)C[C@@H](C)CCCCC)C1=O ZINC001134821870 789099369 /nfs/dbraw/zinc/09/93/69/789099369.db2.gz STPNDRQVMPRGFB-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001134881268 789121930 /nfs/dbraw/zinc/12/19/30/789121930.db2.gz VUJMYENRJRVCFS-NXEZZACHSA-N 0 3 308.813 2.060 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)c1cnco1 ZINC001135122805 789207477 /nfs/dbraw/zinc/20/74/77/789207477.db2.gz ICGQBGCAAPWZDB-UWVGGRQHSA-N 0 3 316.199 2.070 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCc1cccc(F)c1 ZINC001135145428 789216695 /nfs/dbraw/zinc/21/66/95/789216695.db2.gz HYNVDTYAKYTAJN-HOTGVXAUSA-N 0 3 306.381 2.013 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)NCc2ccn(C)n2)cc1 ZINC001135184988 789236985 /nfs/dbraw/zinc/23/69/85/789236985.db2.gz RWYYFENLARTAFK-CABCVRRESA-N 0 3 324.428 2.088 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001135236023 789254200 /nfs/dbraw/zinc/25/42/00/789254200.db2.gz PKOCBZBWPINUOA-KGLIPLIRSA-N 0 3 318.465 2.414 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nccnc1C ZINC001135230786 789259799 /nfs/dbraw/zinc/25/97/99/789259799.db2.gz RKKQQTQIRXCSLK-HUUCEWRRSA-N 0 3 316.449 2.352 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2cnns2)C1 ZINC001135426295 789336366 /nfs/dbraw/zinc/33/63/66/789336366.db2.gz BWESRWGVXGGXSL-RYUDHWBXSA-N 0 3 308.451 2.267 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1C ZINC001135562412 789400308 /nfs/dbraw/zinc/40/03/08/789400308.db2.gz ZAFHVISHSNSQGD-KGLIPLIRSA-N 0 3 306.454 2.395 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001070926224 789482826 /nfs/dbraw/zinc/48/28/26/789482826.db2.gz BHMRFFLEBSSNNF-IIDMSEBBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071051888 789507358 /nfs/dbraw/zinc/50/73/58/789507358.db2.gz UMZJMVIEOGOTBB-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001071138090 789553066 /nfs/dbraw/zinc/55/30/66/789553066.db2.gz WOENTUQRAURVOS-ARFHVFGLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@H](C)O2 ZINC001071154778 789562311 /nfs/dbraw/zinc/56/23/11/789562311.db2.gz PLQMJANVMMYVJN-KSSFIOAISA-N 0 3 317.433 2.205 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001135925375 789563778 /nfs/dbraw/zinc/56/37/78/789563778.db2.gz ZPPFATFAOXRIHS-BZSNNMDCSA-N 0 3 316.445 2.257 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1coc(C)c1)C[C@H](C)O2 ZINC001071161907 789567173 /nfs/dbraw/zinc/56/71/73/789567173.db2.gz PTESICWIFKXXRB-MAUKXSAKSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccsn1)C[C@H](C)O2 ZINC001071177709 789576932 /nfs/dbraw/zinc/57/69/32/789576932.db2.gz FHUYCUIINCMUCB-XJKSGUPXSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@@H](C)O2 ZINC001071193003 789583169 /nfs/dbraw/zinc/58/31/69/789583169.db2.gz VEMJWHYDZWBBGO-DYVFJYSZSA-N 0 3 321.396 2.035 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cc1ccco1)C[C@@H](C)O2 ZINC001071222428 789601016 /nfs/dbraw/zinc/60/10/16/789601016.db2.gz BUWLYHLYSORGLR-QAPCUYQASA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(Cl)cnn2C)CC[C@@H]1C ZINC001071515724 789752724 /nfs/dbraw/zinc/75/27/24/789752724.db2.gz WNDGOEPYTZEYAE-NWDGAFQWSA-N 0 3 310.829 2.232 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2C2CCC2)CC[C@H]1C ZINC001071515539 789753090 /nfs/dbraw/zinc/75/30/90/789753090.db2.gz VGVODCVBEGNLBJ-CABCVRRESA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)CC[C@H]1C ZINC001071561832 789782382 /nfs/dbraw/zinc/78/23/82/789782382.db2.gz WDEAXGAWYFILPR-HIFRSBDPSA-N 0 3 315.417 2.087 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3n[nH]cc3c2)CC[C@H]1C ZINC001071601508 789805149 /nfs/dbraw/zinc/80/51/49/789805149.db2.gz AUJHKKAFVJQQAR-IUODEOHRSA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071608522 789811121 /nfs/dbraw/zinc/81/11/21/789811121.db2.gz AIKMLTICNRVDMF-SMDDNHRTSA-N 0 3 307.463 2.458 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@@H]1C ZINC001071609275 789811501 /nfs/dbraw/zinc/81/15/01/789811501.db2.gz IIZWJUJTKGXJFJ-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(F)cn2)CC[C@H]1C ZINC001071613084 789815829 /nfs/dbraw/zinc/81/58/29/789815829.db2.gz RHXVZEKJTOEUEH-CJNGLKHVSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@@H]1C ZINC001071642045 789835185 /nfs/dbraw/zinc/83/51/85/789835185.db2.gz KCKPFKGSTXYJBD-UONOGXRCSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@H]1C ZINC001071667571 789851787 /nfs/dbraw/zinc/85/17/87/789851787.db2.gz ZHIKMULEGISJGB-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ncc3ccccn32)CC[C@@H]1C ZINC001071679078 789860414 /nfs/dbraw/zinc/86/04/14/789860414.db2.gz IRUCFZZUGKHBLR-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)CC[C@H]1C ZINC001071680024 789860801 /nfs/dbraw/zinc/86/08/01/789860801.db2.gz QLIJHNYMSZTRHD-CJNGLKHVSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)n3ccccc23)CC[C@@H]1C ZINC001071685521 789863694 /nfs/dbraw/zinc/86/36/94/789863694.db2.gz CVULQFXDOKCKOU-HOCLYGCPSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)CC[C@@H]1C ZINC001071720915 789887847 /nfs/dbraw/zinc/88/78/47/789887847.db2.gz JMYFMTSZIXXPIO-KBPBESRZSA-N 0 3 303.406 2.173 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3ccccc3nn2)CC[C@@H]1C ZINC001071728360 789891334 /nfs/dbraw/zinc/89/13/34/789891334.db2.gz LNVPCFQVURKTTR-GOEBONIOSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)CC[C@H]1C ZINC001071776196 789914872 /nfs/dbraw/zinc/91/48/72/789914872.db2.gz NWLAMDNGEOPUMS-CJNGLKHVSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3nonc3c2)CC[C@H]1C ZINC001071793081 789922350 /nfs/dbraw/zinc/92/23/50/789922350.db2.gz URRXGTIDIPRXTI-OCCSQVGLSA-N 0 3 314.389 2.382 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccncc2Cl)CC[C@H]1C ZINC001071821851 789929803 /nfs/dbraw/zinc/92/98/03/789929803.db2.gz SUPBDFVRBAAVLJ-TZMCWYRMSA-N 0 3 307.825 2.433 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccnc(OC)c2)CC[C@@H]1C ZINC001071827788 789933696 /nfs/dbraw/zinc/93/36/96/789933696.db2.gz DHNUUXOZZGEWFS-GOEBONIOSA-N 0 3 317.433 2.178 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)nn2C)CC[C@H]1C ZINC001071923676 789974658 /nfs/dbraw/zinc/97/46/58/789974658.db2.gz MGHNZVAMAYXLNA-HIFRSBDPSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)c2cnn(C)c2)CC[C@@H]1C ZINC001071942018 789979904 /nfs/dbraw/zinc/97/99/04/789979904.db2.gz MIJVVZSHPXZVEJ-GOEBONIOSA-N 0 3 318.465 2.243 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnccc2N(C)C)CC[C@H]1C ZINC001072000163 790006404 /nfs/dbraw/zinc/00/64/04/790006404.db2.gz VGSBJQRWRXAKFT-CABCVRRESA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@H]1C ZINC001072028577 790019133 /nfs/dbraw/zinc/01/91/33/790019133.db2.gz APEMBKYMFFESAO-NVXWUHKLSA-N 0 3 313.445 2.359 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]nc3ccccc32)CC[C@@H]1C ZINC001072040759 790029148 /nfs/dbraw/zinc/02/91/48/790029148.db2.gz MWJYEVSXZGHAKJ-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(COC)cc2)CC[C@H]1C ZINC001072057961 790034458 /nfs/dbraw/zinc/03/44/58/790034458.db2.gz DTVPPLGQYYEIOU-QAPCUYQASA-N 0 3 314.429 2.439 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)Cc2[nH]nc3ccccc32)CC[C@@H]1C ZINC001072096478 790050831 /nfs/dbraw/zinc/05/08/31/790050831.db2.gz ZZXWCCQBRXIBOI-LSDHHAIUSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)CC[C@H]1C ZINC001072096017 790050900 /nfs/dbraw/zinc/05/09/00/790050900.db2.gz SALMJGKAFIPODR-HUUCEWRRSA-N 0 3 324.428 2.098 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001072223229 790095914 /nfs/dbraw/zinc/09/59/14/790095914.db2.gz VPRHEKUHCOCQLZ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3oc(CC4CC4)nc3C)C2)C1 ZINC001072738284 790234058 /nfs/dbraw/zinc/23/40/58/790234058.db2.gz MZYIIUQPGNYMQN-UHFFFAOYSA-N 0 3 315.417 2.269 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(C4CCC4)cnn3C)C2)C1 ZINC001072762801 790240934 /nfs/dbraw/zinc/24/09/34/790240934.db2.gz CKTCOAMAIZDODN-UHFFFAOYSA-N 0 3 314.433 2.022 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001091545678 791238715 /nfs/dbraw/zinc/23/87/15/791238715.db2.gz RYDWLEAIUCYBHX-SIIHOXLZSA-N 0 3 315.392 2.266 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@H](C)C1 ZINC001075096650 791459777 /nfs/dbraw/zinc/45/97/77/791459777.db2.gz DEZIVUIXMIAIPJ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC001147450062 791549715 /nfs/dbraw/zinc/54/97/15/791549715.db2.gz XHPRMLMBAMAPFG-HNNXBMFYSA-N 0 3 309.841 2.138 20 30 DEEDHN CC(C)C#CC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001147514393 791558856 /nfs/dbraw/zinc/55/88/56/791558856.db2.gz KWJYGCFXBQQBSE-UHFFFAOYSA-N 0 3 302.443 2.442 20 30 DEEDHN COCC#CCNCCNC(=O)c1oc2ccccc2c1Cl ZINC001147623588 791582595 /nfs/dbraw/zinc/58/25/95/791582595.db2.gz KAPDYPPTNVLEPO-UHFFFAOYSA-N 0 3 320.776 2.055 20 30 DEEDHN C=C(Cl)CN1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147835845 791634839 /nfs/dbraw/zinc/63/48/39/791634839.db2.gz NKZYJSLETQQWQN-UHFFFAOYSA-N 0 3 313.873 2.004 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1n[nH]c3ccccc31)C2 ZINC001098458537 791634908 /nfs/dbraw/zinc/63/49/08/791634908.db2.gz PSWLNJHCHHHOGE-XWIAVFTESA-N 0 3 324.428 2.403 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1N(C)C)C2 ZINC001098489729 791641315 /nfs/dbraw/zinc/64/13/15/791641315.db2.gz JJRMQYIIJFIOCG-KYJSFNMBSA-N 0 3 311.429 2.111 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC13CCC3)C[C@@H](C)O2 ZINC001098642720 791667939 /nfs/dbraw/zinc/66/79/39/791667939.db2.gz KBYGUAMJNDKJLT-CVEARBPZSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnns2)C1 ZINC001098743984 791690000 /nfs/dbraw/zinc/69/00/00/791690000.db2.gz REISUMYVWPBIOD-WFASDCNBSA-N 0 3 306.435 2.089 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(C)s2)C1 ZINC001098753719 791693703 /nfs/dbraw/zinc/69/37/03/791693703.db2.gz QHKRBSYQTVMDGD-BBRMVZONSA-N 0 3 303.431 2.059 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)cn2)C1 ZINC001098804068 791710417 /nfs/dbraw/zinc/71/04/17/791710417.db2.gz MULPGDCBEOKQRI-GUYCJALGSA-N 0 3 303.381 2.381 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(C#N)s1)C(F)(F)F ZINC001148542244 791768040 /nfs/dbraw/zinc/76/80/40/791768040.db2.gz CEHUTLLAPJCLDC-UHFFFAOYSA-N 0 3 319.352 2.414 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)N1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001161117835 791776707 /nfs/dbraw/zinc/77/67/07/791776707.db2.gz UPUBXXKGCKFDCF-KFWWJZLASA-N 0 3 310.438 2.250 20 30 DEEDHN COc1ccccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001148728142 791794522 /nfs/dbraw/zinc/79/45/22/791794522.db2.gz XLCSTIKIDYKRKA-UHFFFAOYSA-N 0 3 309.369 2.086 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)COc3ccccc3)C2)C1 ZINC001148763371 791802645 /nfs/dbraw/zinc/80/26/45/791802645.db2.gz YWNSRQDTBGHTHK-MRXNPFEDSA-N 0 3 314.429 2.422 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](OCC)c3ccccc3)C2)C1 ZINC001148874073 791808347 /nfs/dbraw/zinc/80/83/47/791808347.db2.gz IEYLWIIKRGHLKZ-QGZVFWFLSA-N 0 3 314.429 2.485 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cncc(Cl)c3C)C[C@]2(C)C1 ZINC001091756207 791817327 /nfs/dbraw/zinc/81/73/27/791817327.db2.gz FKCXPEOUFWWGQT-DYVFJYSZSA-N 0 3 317.820 2.071 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cncs3)C2)CC1 ZINC001086907942 791845739 /nfs/dbraw/zinc/84/57/39/791845739.db2.gz IUXKNHOTZNUUQA-CQSZACIVSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccnc(F)c3)C2)CC1 ZINC001086909600 791846787 /nfs/dbraw/zinc/84/67/87/791846787.db2.gz ZABDUYBQBXFTHN-CQSZACIVSA-N 0 3 315.392 2.171 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cscn3)C2)CC1 ZINC001086909413 791847006 /nfs/dbraw/zinc/84/70/06/791847006.db2.gz VLUXEVWYQYZCAJ-AWEZNQCLSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3c(C)ccn3C)C2)CC1 ZINC001086919388 791851934 /nfs/dbraw/zinc/85/19/34/791851934.db2.gz NRJSRQVYMFCBGR-INIZCTEOSA-N 0 3 313.445 2.283 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@]2(C)C1 ZINC001091874115 791896659 /nfs/dbraw/zinc/89/66/59/791896659.db2.gz YXZDDYUNDSXFQC-APWZRJJASA-N 0 3 311.429 2.116 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3scnc3C(C)C)C[C@]2(C)C1 ZINC001092078785 791929341 /nfs/dbraw/zinc/92/93/41/791929341.db2.gz BWQUKTIRGXFJOB-DYVFJYSZSA-N 0 3 317.458 2.294 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3coc4ccccc43)C[C@]2(C)C1 ZINC001092321208 791979024 /nfs/dbraw/zinc/97/90/24/791979024.db2.gz JIGPLEXTTXHCIL-KUHUBIRLSA-N 0 3 308.381 2.460 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001098915346 791982764 /nfs/dbraw/zinc/98/27/64/791982764.db2.gz IOGPBJKEXUWNQY-HUUCEWRRSA-N 0 3 304.438 2.237 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001098952957 791999880 /nfs/dbraw/zinc/99/98/80/791999880.db2.gz NWIRCEVNCTTXTP-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001099027993 792047097 /nfs/dbraw/zinc/04/70/97/792047097.db2.gz RBIUDSIXVUHLRX-LPHOPBHVSA-N 0 3 324.428 2.413 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3[nH]cnc32)C1 ZINC001099090048 792087011 /nfs/dbraw/zinc/08/70/11/792087011.db2.gz ZSJTVLACWJSUCO-LIRRHRJNSA-N 0 3 322.412 2.171 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2F)C1 ZINC001099094363 792087542 /nfs/dbraw/zinc/08/75/42/792087542.db2.gz KMJWJIGGCSMLAA-GUYCJALGSA-N 0 3 303.381 2.381 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@]12CCC[C@H]1CN(CC#CC)C2 ZINC001099139065 792112830 /nfs/dbraw/zinc/11/28/30/792112830.db2.gz TZXLUJKJQPBUEA-FPOVZHCZSA-N 0 3 320.436 2.204 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001099153806 792118828 /nfs/dbraw/zinc/11/88/28/792118828.db2.gz MWFPIMNKRZMGBX-YJBOKZPZSA-N 0 3 301.434 2.412 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001099186191 792130128 /nfs/dbraw/zinc/13/01/28/792130128.db2.gz XZYRLLCPYSHNNV-GMBSWORKSA-N 0 3 312.413 2.319 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1C(F)(F)F ZINC001099204617 792138465 /nfs/dbraw/zinc/13/84/65/792138465.db2.gz WJQKFLLGZQNSLG-NTQVKLLNSA-N 0 3 314.307 2.458 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cc(F)ccc2C#N)C1 ZINC001099351087 792177842 /nfs/dbraw/zinc/17/78/42/792177842.db2.gz DUMFCZCXXWKJSQ-WMZOPIPTSA-N 0 3 315.392 2.436 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@@H](F)CC)C[C@H]2C)nc1 ZINC001093140664 792249948 /nfs/dbraw/zinc/24/99/48/792249948.db2.gz HKMYKVJFBFJNDB-BMFZPTHFSA-N 0 3 317.408 2.109 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C[C@@H]1O ZINC001099726891 792328908 /nfs/dbraw/zinc/32/89/08/792328908.db2.gz KPKUSTBZLMINDO-ROUUACIJSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2C)C[C@H]1O ZINC001099725217 792329711 /nfs/dbraw/zinc/32/97/11/792329711.db2.gz UNOFFZBGEBNDKR-DLBZAZTESA-N 0 3 302.418 2.013 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C[C@H]1O ZINC001099729079 792331354 /nfs/dbraw/zinc/33/13/54/792331354.db2.gz BEZWVCBQRGADAS-QZTJIDSGSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099856444 792383918 /nfs/dbraw/zinc/38/39/18/792383918.db2.gz XCUFBRASJZYHRO-DLBZAZTESA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C[C@@H]1O ZINC001099973883 792425328 /nfs/dbraw/zinc/42/53/28/792425328.db2.gz KHUFZMVHXNEUHC-ROUUACIJSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001100020581 792447269 /nfs/dbraw/zinc/44/72/69/792447269.db2.gz PSBHJLOAXAUBNK-DLBZAZTESA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCC2CCCCC2)[C@H](O)C1 ZINC001100096530 792472137 /nfs/dbraw/zinc/47/21/37/792472137.db2.gz ISDQCUCBTYXOKA-ZWKOTPCHSA-N 0 3 320.477 2.312 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2cncc(F)c2)C1 ZINC001100259869 792550521 /nfs/dbraw/zinc/55/05/21/792550521.db2.gz WWNHHKJFUINMPI-UHFFFAOYSA-N 0 3 317.408 2.399 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001094015274 792706445 /nfs/dbraw/zinc/70/64/45/792706445.db2.gz BHGZUPVMYUEPLJ-RKVPGOIHSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC1CC(NCc2cc(C)ncn2)C1 ZINC001100594774 792739557 /nfs/dbraw/zinc/73/95/57/792739557.db2.gz FECCKKHBYQWRQP-IUDNXUCKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100644861 792764135 /nfs/dbraw/zinc/76/41/35/792764135.db2.gz KQRXXMVKGJYDHA-JTTJXQCZSA-N 0 3 316.449 2.372 20 30 DEEDHN O=C(Cc1ccco1)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100779088 792841113 /nfs/dbraw/zinc/84/11/13/792841113.db2.gz ZBFHLFOKOGURDW-UHFFFAOYSA-N 0 3 322.408 2.358 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(OC)cs3)CCC[C@@H]12 ZINC001094487372 792935670 /nfs/dbraw/zinc/93/56/70/792935670.db2.gz VQYRUSOOIQJESH-NVXWUHKLSA-N 0 3 318.442 2.364 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCNCC=C(Cl)Cl)cn1 ZINC001171594529 793142335 /nfs/dbraw/zinc/14/23/35/793142335.db2.gz GFUDGZOALUGOOU-UHFFFAOYSA-N 0 3 312.200 2.091 20 30 DEEDHN CCOC(=O)C1(C)CCC([NH2+][C@H](C(=O)N[O-])[C@@H](C)CC)CC1 ZINC001171948312 793271737 /nfs/dbraw/zinc/27/17/37/793271737.db2.gz DROMAKRADDMAPY-AJAZOQAWSA-N 0 3 314.426 2.008 20 30 DEEDHN N=C(N[C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccc2ccccc2n1 ZINC001172165629 793357740 /nfs/dbraw/zinc/35/77/40/793357740.db2.gz PCLDTFCEAAWKGE-ZIAGYGMSSA-N 0 3 308.385 2.094 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@@H](C)C(C)C)[C@H](C)C1 ZINC001101808145 793387997 /nfs/dbraw/zinc/38/79/97/793387997.db2.gz UWNLHPYHQXAEST-BRWVUGGUSA-N 0 3 308.466 2.003 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(Cc2cnoc2C)C[C@H]1C ZINC001101893525 793429413 /nfs/dbraw/zinc/42/94/13/793429413.db2.gz FEQYPYMMTJJFDO-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CC(C)N(C)C(=O)C1=NO[C@]2(CCN([C@@H](C)CCCC#N)C2)C1 ZINC001172495771 793438073 /nfs/dbraw/zinc/43/80/73/793438073.db2.gz UWQLVCQHSGXHEF-WMLDXEAASA-N 0 3 320.437 2.156 20 30 DEEDHN C[C@H](CCCC#N)N1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172503307 793439860 /nfs/dbraw/zinc/43/98/60/793439860.db2.gz ZGPAHKYFWARDPO-MGPQQGTHSA-N 0 3 311.426 2.029 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001101920848 793440778 /nfs/dbraw/zinc/44/07/78/793440778.db2.gz MWZUPCAXQPNSJK-ZIAGYGMSSA-N 0 3 305.447 2.131 20 30 DEEDHN C[C@@H]1CN(Cc2ccccn2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101954933 793459436 /nfs/dbraw/zinc/45/94/36/793459436.db2.gz KKOSLACFPIIMCU-HZPDHXFCSA-N 0 3 313.445 2.315 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102261059 793548313 /nfs/dbraw/zinc/54/83/13/793548313.db2.gz MMEYEZNVNOATLU-BFYDXBDKSA-N 0 3 318.465 2.207 20 30 DEEDHN CN([C@H]1CCCOC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991841 793561842 /nfs/dbraw/zinc/56/18/42/793561842.db2.gz BTGSPXABMGKWNO-KKUMJFAQSA-N 0 3 323.437 2.389 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001102508427 793636297 /nfs/dbraw/zinc/63/62/97/793636297.db2.gz QVJNKSJFBNRXSC-RCCFBDPRSA-N 0 3 322.493 2.393 20 30 DEEDHN COC(=O)c1ccc(C[C@@H](C)NC(=N)c2ccc(F)cn2)cc1 ZINC001173716311 793820207 /nfs/dbraw/zinc/82/02/07/793820207.db2.gz WBTHOYGTZUPPSN-LLVKDONJSA-N 0 3 315.348 2.344 20 30 DEEDHN N#Cc1ccc2c(c1)CN([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173747462 793834722 /nfs/dbraw/zinc/83/47/22/793834722.db2.gz MZTKNZRPWQRDGB-IRXDYDNUSA-N 0 3 308.389 2.087 20 30 DEEDHN CC[C@@H](CNC(=O)CN(CC)CC)Nc1cccc(F)c1C#N ZINC001103097070 793938861 /nfs/dbraw/zinc/93/88/61/793938861.db2.gz XRPKPFQVUXDGFQ-ZDUSSCGKSA-N 0 3 320.412 2.346 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001150527826 794297661 /nfs/dbraw/zinc/29/76/61/794297661.db2.gz RZNJAUROUPBBND-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cnc(C)cn2)C1 ZINC001103978096 794335134 /nfs/dbraw/zinc/33/51/34/794335134.db2.gz UABJMMSDZWCYDY-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN CC[C@H](C(=O)NC[C@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001104031066 794351750 /nfs/dbraw/zinc/35/17/50/794351750.db2.gz OYILJMOPCLEMQM-MLGOLLRUSA-N 0 3 320.412 2.202 20 30 DEEDHN Cc1oncc1CNCC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001104165382 794405542 /nfs/dbraw/zinc/40/55/42/794405542.db2.gz YIPHJZGJWCXYQQ-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C ZINC001104177743 794411570 /nfs/dbraw/zinc/41/15/70/794411570.db2.gz HJDXZIBLCORHJN-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cn1ccc2ccccc21 ZINC001176450994 794429450 /nfs/dbraw/zinc/42/94/50/794429450.db2.gz ATIAIXNWGFCMPA-UHFFFAOYSA-N 0 3 305.809 2.490 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)COCC2CCCC2)C1 ZINC001111781182 794479992 /nfs/dbraw/zinc/47/99/92/794479992.db2.gz GPVSNBPWLLOJQL-HKUYNNGSSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001150620375 794485161 /nfs/dbraw/zinc/48/51/61/794485161.db2.gz OPFGILSPGMPCEU-FUHWJXTLSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCCCN(CC)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC001176798210 794494032 /nfs/dbraw/zinc/49/40/32/794494032.db2.gz MXRMHYRUDINDEP-UHFFFAOYSA-N 0 3 319.449 2.212 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(C)C)C1 ZINC001111874850 794509726 /nfs/dbraw/zinc/50/97/26/794509726.db2.gz BLZJZYWOYAFWCX-DZKIICNBSA-N 0 3 313.873 2.050 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COc2ccccc2)C1 ZINC001111952586 794532914 /nfs/dbraw/zinc/53/29/14/794532914.db2.gz PFLQULOCZDIVHZ-YJBOKZPZSA-N 0 3 300.402 2.222 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001111956266 794535544 /nfs/dbraw/zinc/53/55/44/794535544.db2.gz KRUDYDFSHKQGKQ-BXWFABGCSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COc2cccc(F)c2)C1 ZINC001111982614 794538824 /nfs/dbraw/zinc/53/88/24/794538824.db2.gz RDPHPYXDMSVSKX-KSSFIOAISA-N 0 3 318.392 2.361 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)c1ccccc1 ZINC001115181747 794698192 /nfs/dbraw/zinc/69/81/92/794698192.db2.gz AMRVMLCTQXNJLE-ITQYTPKQSA-N 0 3 314.429 2.039 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOc1cc(C)ccc1C ZINC001115201260 794703255 /nfs/dbraw/zinc/70/32/55/794703255.db2.gz RRENNVDDSVJLNP-MNZLEMJZSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1ccccc1C(C)C ZINC001115213411 794706103 /nfs/dbraw/zinc/70/61/03/794706103.db2.gz VQMIQHLIEHHPEH-MNZLEMJZSA-N 0 3 314.429 2.421 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001115274337 794718320 /nfs/dbraw/zinc/71/83/20/794718320.db2.gz VBXKRYBPYAADQI-ZSGPHXLJSA-N 0 3 314.429 2.106 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnccn2)CCCCC1 ZINC001115386150 794753986 /nfs/dbraw/zinc/75/39/86/794753986.db2.gz YAHLIDPNSBICDB-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cc[nH]n2)CCCCC1 ZINC001115461167 794780612 /nfs/dbraw/zinc/78/06/12/794780612.db2.gz HHONVILZUWDWPX-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001178053435 794807272 /nfs/dbraw/zinc/80/72/72/794807272.db2.gz ROQKWCGGHRJKPW-OAHLLOKOSA-N 0 3 312.417 2.484 20 30 DEEDHN C=CCCC[NH2+]C1(CNC(=O)c2cnc[n-]c2=O)CCCCC1 ZINC001115587617 794830300 /nfs/dbraw/zinc/83/03/00/794830300.db2.gz JRXRGOVPABFFHM-UHFFFAOYSA-N 0 3 318.421 2.171 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CSCC#N ZINC001178148497 794842592 /nfs/dbraw/zinc/84/25/92/794842592.db2.gz WZQPNJWRFFEHQX-WFASDCNBSA-N 0 3 321.421 2.161 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cn2nccc2C)CCCCC1 ZINC001115752736 794908144 /nfs/dbraw/zinc/90/81/44/794908144.db2.gz RGSFTBFETMONEU-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN Cc1nc(C(=O)N2CC[C@H](NCC#Cc3ccccc3)[C@@H]2C)co1 ZINC001178544782 794944500 /nfs/dbraw/zinc/94/45/00/794944500.db2.gz RVTOGQRPTVMNHJ-YOEHRIQHSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCC(=O)OC)cc2)C1 ZINC001116576221 794970938 /nfs/dbraw/zinc/97/09/38/794970938.db2.gz RMDYCLAMLUFVOT-MRXNPFEDSA-N 0 3 305.374 2.015 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001116619012 794972655 /nfs/dbraw/zinc/97/26/55/794972655.db2.gz GYPPDBOGIZZPKA-IRXDYDNUSA-N 0 3 319.449 2.352 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C(C)C)n2)[C@@H]1C ZINC001178802678 794999049 /nfs/dbraw/zinc/99/90/49/794999049.db2.gz UPAOOPMWIHWAJI-KBPBESRZSA-N 0 3 319.453 2.363 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC001178808105 795001701 /nfs/dbraw/zinc/00/17/01/795001701.db2.gz WOBNNRLSECOJSY-RDJZCZTQSA-N 0 3 313.401 2.271 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001179384275 795110495 /nfs/dbraw/zinc/11/04/95/795110495.db2.gz IKFPKWGKBUMPAK-KEYYUXOJSA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(CC)CC)[C@@H]1C ZINC001179451706 795116870 /nfs/dbraw/zinc/11/68/70/795116870.db2.gz DLLSDIPDRBOAOA-PMPSAXMXSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2n[nH]c(C(C)C)n2)[C@@H]1C ZINC001179455003 795117679 /nfs/dbraw/zinc/11/76/79/795117679.db2.gz MSHPENFREFWBBQ-KBPBESRZSA-N 0 3 319.453 2.363 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179481223 795122805 /nfs/dbraw/zinc/12/28/05/795122805.db2.gz AHUSMPTTXAPKKN-QGZVFWFLSA-N 0 3 321.469 2.482 20 30 DEEDHN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)C(C)C#N ZINC001179894691 795191885 /nfs/dbraw/zinc/19/18/85/795191885.db2.gz CQVBSZYJXWOSJO-VNQPRFMTSA-N 0 3 314.385 2.484 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001179994395 795216710 /nfs/dbraw/zinc/21/67/10/795216710.db2.gz MXXXFEBTBADOBV-JYJNAYRXSA-N 0 3 323.481 2.205 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC001180190547 795260973 /nfs/dbraw/zinc/26/09/73/795260973.db2.gz JYHURMJWMHHQPA-XJKSGUPXSA-N 0 3 314.385 2.055 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001180260847 795267170 /nfs/dbraw/zinc/26/71/70/795267170.db2.gz OMYWAYVGZUJPDN-ZFWWWQNUSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(Cl)CNC[C@]1(C)CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C ZINC001180988612 795407267 /nfs/dbraw/zinc/40/72/67/795407267.db2.gz JOUOMJVBVKKWJU-BDJLRTHQSA-N 0 3 314.857 2.428 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001181898135 795558392 /nfs/dbraw/zinc/55/83/92/795558392.db2.gz KEDLTSKSUVMGJA-QGZVFWFLSA-N 0 3 320.408 2.499 20 30 DEEDHN C=CCCCC(=O)NC1CC2(CC(NCc3ccn(C)n3)C2)C1 ZINC001121663796 795670120 /nfs/dbraw/zinc/67/01/20/795670120.db2.gz QLYWYFUMCKAXTK-UHFFFAOYSA-N 0 3 316.449 2.293 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001121996331 795714922 /nfs/dbraw/zinc/71/49/22/795714922.db2.gz GGPOFCYGNUXTNT-OAHLLOKOSA-N 0 3 321.396 2.284 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001182639222 795717334 /nfs/dbraw/zinc/71/73/34/795717334.db2.gz CBXCYVFBPFPJND-KURKYZTESA-N 0 3 312.413 2.121 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC001122134251 795729721 /nfs/dbraw/zinc/72/97/21/795729721.db2.gz NKSWRHWLPPCNPM-JKSUJKDBSA-N 0 3 324.465 2.152 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001182873711 795771910 /nfs/dbraw/zinc/77/19/10/795771910.db2.gz JMXQUGWEWDSXEP-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC001122577373 795779833 /nfs/dbraw/zinc/77/98/33/795779833.db2.gz BDTOSCSTWBMSRW-FOGDFJRCSA-N 0 3 320.370 2.087 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001182932282 795786275 /nfs/dbraw/zinc/78/62/75/795786275.db2.gz JDSFTTITKVIZBQ-OAHLLOKOSA-N 0 3 303.406 2.137 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1cncc(C(F)(F)F)n1 ZINC001183039684 795793311 /nfs/dbraw/zinc/79/33/11/795793311.db2.gz XXYZEJRGOKZSIS-UHFFFAOYSA-N 0 3 300.284 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCOc2c(C)cccc2C)C1 ZINC001183046717 795794370 /nfs/dbraw/zinc/79/43/70/795794370.db2.gz AYUJDRLJLDKSBQ-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)/C=C\c2ccco2)cc1F ZINC001122736306 795799798 /nfs/dbraw/zinc/79/97/98/795799798.db2.gz YWHHQJNYXQPDAD-WAYWQWQTSA-N 0 3 313.332 2.210 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cccc(F)c2)cc1F ZINC001122883665 795813847 /nfs/dbraw/zinc/81/38/47/795813847.db2.gz STSRBHPNTJNGHZ-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)o2)s1 ZINC001123558983 795932836 /nfs/dbraw/zinc/93/28/36/795932836.db2.gz NSQDHZILPAVWGU-UHFFFAOYSA-N 0 3 309.778 2.386 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)COc2ccc(C(C)C)cc2)C1 ZINC001184006834 795979259 /nfs/dbraw/zinc/97/92/59/795979259.db2.gz HNAPXJPKANIGBL-QGZVFWFLSA-N 0 3 314.429 2.403 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1cc(F)cc(F)c1 ZINC001124484817 796070852 /nfs/dbraw/zinc/07/08/52/796070852.db2.gz ZTJJLSSPBSQDNF-GFCCVEGCSA-N 0 3 312.360 2.152 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CNCc2ccn(C)n2)[C@@H](C)C1 ZINC001185063296 796172628 /nfs/dbraw/zinc/17/26/28/796172628.db2.gz YWWYGYCVUOOVNQ-JKSUJKDBSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOc1ccc(CN2CCN(C3CCC3)CC2)cc1OC ZINC001138340859 796200662 /nfs/dbraw/zinc/20/06/62/796200662.db2.gz CYXQEOZVMYHCJL-UHFFFAOYSA-N 0 3 314.429 2.377 20 30 DEEDHN C=C(C)COc1ccccc1CN1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001138665489 796254287 /nfs/dbraw/zinc/25/42/87/796254287.db2.gz NEJXBHYQYOYHRB-HOCLYGCPSA-N 0 3 300.402 2.209 20 30 DEEDHN O=C1C=C2CN(Cc3ccnn3[C@@H]3CCCCO3)CCC2S1 ZINC001138774569 796273370 /nfs/dbraw/zinc/27/33/70/796273370.db2.gz AGMCSCRTRFSSNR-GJZGRUSLSA-N 0 3 319.430 2.356 20 30 DEEDHN CCCCC[C@@H](C)CC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001186129506 796365339 /nfs/dbraw/zinc/36/53/39/796365339.db2.gz JJFLEEPRTMMAIO-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C[C@]1(O)COCCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402408 796371431 /nfs/dbraw/zinc/37/14/31/796371431.db2.gz QIMQVWJMBRTCIS-LJQANCHMSA-N 0 3 323.396 2.203 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC001186367296 796394990 /nfs/dbraw/zinc/39/49/90/796394990.db2.gz STSSLIMOWHTKGJ-CYBMUJFWSA-N 0 3 319.474 2.197 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ncoc2-c2cccs2)C1 ZINC001186411606 796399875 /nfs/dbraw/zinc/39/98/75/796399875.db2.gz BBAUAEHEGBSFLR-GFCCVEGCSA-N 0 3 315.398 2.231 20 30 DEEDHN C=CCN(C)CCN(CC)c1cc(C(C)C)nc2ncnn21 ZINC001186855618 796456419 /nfs/dbraw/zinc/45/64/19/796456419.db2.gz ZCFWLHCMECWFOW-UHFFFAOYSA-N 0 3 302.426 2.192 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001187340714 796528081 /nfs/dbraw/zinc/52/80/81/796528081.db2.gz BTOKWXUPWKLJMA-HUUCEWRRSA-N 0 3 311.470 2.062 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)cn1 ZINC001140542394 796536516 /nfs/dbraw/zinc/53/65/16/796536516.db2.gz AUWRRWOZDGMEGP-PHZGNYQRSA-N 0 3 324.428 2.080 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001187989394 796611255 /nfs/dbraw/zinc/61/12/55/796611255.db2.gz XMIZSMINQTUPPM-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188016335 796617890 /nfs/dbraw/zinc/61/78/90/796617890.db2.gz ZRCLWABOWWOOKW-LSDHHAIUSA-N 0 3 311.470 2.049 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001188328879 796658390 /nfs/dbraw/zinc/65/83/90/796658390.db2.gz BULMDSQLARBICN-OKZBNKHCSA-N 0 3 318.461 2.468 20 30 DEEDHN O=C1C=C2CN(Cc3ccc(C(F)(F)F)nn3)CCC2S1 ZINC001141488447 796670884 /nfs/dbraw/zinc/67/08/84/796670884.db2.gz NRISDQGWTOELJW-JTQLQIEISA-N 0 3 315.320 2.270 20 30 DEEDHN Cc1cc(CN(C)[C@H]2CCN(C(=O)CSCC#N)C2)cs1 ZINC001188959552 796747711 /nfs/dbraw/zinc/74/77/11/796747711.db2.gz VEUSQZSRTJYYOZ-AWEZNQCLSA-N 0 3 323.487 2.346 20 30 DEEDHN CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959818 796748064 /nfs/dbraw/zinc/74/80/64/796748064.db2.gz YTZLKHNCWCLDLW-HNNXBMFYSA-N 0 3 321.421 2.115 20 30 DEEDHN CC(=O)N(C)C1CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142922367 796785437 /nfs/dbraw/zinc/78/54/37/796785437.db2.gz FPXRROCVUXPYLT-UHFFFAOYSA-N 0 3 310.401 2.482 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)C[C@H](O)c2ccc(F)cc2)C1 ZINC001189319185 796807267 /nfs/dbraw/zinc/80/72/67/796807267.db2.gz UZAJSFYENORSAL-IRXDYDNUSA-N 0 3 320.408 2.358 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)CCc2ccccc2F)C1 ZINC001189380340 796815625 /nfs/dbraw/zinc/81/56/25/796815625.db2.gz PHODBDQIVVPEME-INIZCTEOSA-N 0 3 320.408 2.104 20 30 DEEDHN Cc1ccc(OCCN(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1 ZINC001189400115 796823108 /nfs/dbraw/zinc/82/31/08/796823108.db2.gz HKJBAPJRUCQEIU-HOTGVXAUSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CN(CC=C(C)C)CCCO1 ZINC001149356814 796844805 /nfs/dbraw/zinc/84/48/05/796844805.db2.gz UJPYQFWIPTUTPU-SJORKVTESA-N 0 3 324.465 2.141 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001149536544 796866429 /nfs/dbraw/zinc/86/64/29/796866429.db2.gz YXYCEMWFDXZIBU-HNNXBMFYSA-N 0 3 308.397 2.014 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001149789058 796895751 /nfs/dbraw/zinc/89/57/51/796895751.db2.gz LCJRGYSQHQOQMH-AWEZNQCLSA-N 0 3 300.418 2.155 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccccc1-c1ccccc1 ZINC001149997091 796911268 /nfs/dbraw/zinc/91/12/68/796911268.db2.gz JAWSCDCPSZSOAR-UHFFFAOYSA-N 0 3 322.408 2.323 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCC1CCCCC1 ZINC001149997715 796911762 /nfs/dbraw/zinc/91/17/62/796911762.db2.gz UFDQZMSXMDVMGE-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CN(CC=C(C)C)CCCO1 ZINC001150165077 796924997 /nfs/dbraw/zinc/92/49/97/796924997.db2.gz GTSMIXDOHYXBRM-QGZVFWFLSA-N 0 3 306.450 2.353 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1-n1ccnc1 ZINC001190112075 796941059 /nfs/dbraw/zinc/94/10/59/796941059.db2.gz CNXMSFIPQKADML-HNNXBMFYSA-N 0 3 310.401 2.253 20 30 DEEDHN Cc1ccccc1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001150542107 796952284 /nfs/dbraw/zinc/95/22/84/796952284.db2.gz HBHFFJRNEKJJEK-UHFFFAOYSA-N 0 3 313.426 2.377 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001150572759 796955817 /nfs/dbraw/zinc/95/58/17/796955817.db2.gz UGOHKMUKLJILMT-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150639355 796964054 /nfs/dbraw/zinc/96/40/54/796964054.db2.gz CFGNNMYXKZCKHQ-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001150751987 796975418 /nfs/dbraw/zinc/97/54/18/796975418.db2.gz KLWDBCDKMFUCBS-MJGOQNOKSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001190329964 796981558 /nfs/dbraw/zinc/98/15/58/796981558.db2.gz WUXODMVKMBHLBL-QGZVFWFLSA-N 0 3 316.449 2.184 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COCCc2cccc(F)c2)C1 ZINC001190537075 797023189 /nfs/dbraw/zinc/02/31/89/797023189.db2.gz DEEMQDLATUZQQQ-QGZVFWFLSA-N 0 3 320.408 2.104 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001151288550 797030545 /nfs/dbraw/zinc/03/05/45/797030545.db2.gz YETLLZPNVQKBFE-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccco2)C1 ZINC001190767382 797071972 /nfs/dbraw/zinc/07/19/72/797071972.db2.gz CBOGUBOYSBTCEG-VEUZHWNKSA-N 0 3 318.417 2.201 20 30 DEEDHN C[C@@H]1CC[C@@H](CCC(=O)NCCNCc2ccc(C#N)cc2)O1 ZINC001151795025 797096966 /nfs/dbraw/zinc/09/69/66/797096966.db2.gz QTNXCXRDXYBZCO-PBHICJAKSA-N 0 3 315.417 2.112 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)NCCN[C@H](CC)C(N)=O ZINC001151849192 797106248 /nfs/dbraw/zinc/10/62/48/797106248.db2.gz XNLNOTSHNABYHW-LSDHHAIUSA-N 0 3 313.486 2.343 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CCCn2cccc2)c1 ZINC001152026258 797135110 /nfs/dbraw/zinc/13/51/10/797135110.db2.gz HGEILSILTHLAME-UHFFFAOYSA-N 0 3 310.401 2.046 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)c1ccon1 ZINC001152104526 797144145 /nfs/dbraw/zinc/14/41/45/797144145.db2.gz ZSWBGOSAJHKSBV-CYBMUJFWSA-N 0 3 312.373 2.187 20 30 DEEDHN CN1CCC[C@@](C)(NC(=O)c2ccc(C#CC(C)(C)O)cc2)C1 ZINC001191188113 797160819 /nfs/dbraw/zinc/16/08/19/797160819.db2.gz AJNAQONPZNXPHS-LJQANCHMSA-N 0 3 314.429 2.023 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=S)[nH]c2c1 ZINC001152290874 797168521 /nfs/dbraw/zinc/16/85/21/797168521.db2.gz ZZBQVJCYARKSTE-LBPRGKRZSA-N 0 3 316.430 2.232 20 30 DEEDHN O=C(CC#Cc1ccccc1)NCCNCc1ccc(F)cc1 ZINC001151952979 797210767 /nfs/dbraw/zinc/21/07/67/797210767.db2.gz OLLVVEQELMGXGJ-UHFFFAOYSA-N 0 3 310.372 2.473 20 30 DEEDHN COCC#CCNCCNC(=O)[C@@H](C)CCCc1ccccc1 ZINC001152769670 797232372 /nfs/dbraw/zinc/23/23/72/797232372.db2.gz JFJPAORZDPKCEN-KRWDZBQOSA-N 0 3 316.445 2.001 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCNC[C@H](F)CC)cc1 ZINC001152803558 797236919 /nfs/dbraw/zinc/23/69/19/797236919.db2.gz XPXDOPOACGQJAJ-OAHLLOKOSA-N 0 3 308.397 2.248 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](N(C)CCOCC=C)C2)cc1 ZINC001191665306 797244662 /nfs/dbraw/zinc/24/46/62/797244662.db2.gz AHGZWUATBZDCHH-GOSISDBHSA-N 0 3 312.413 2.017 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCc2ccc(C)cc2)C[C@H]1O ZINC001191724872 797248495 /nfs/dbraw/zinc/24/84/95/797248495.db2.gz UVCMAWHLDIBPKD-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001153018818 797270325 /nfs/dbraw/zinc/27/03/25/797270325.db2.gz UFSNJYVEHIHPCC-RDTXWAMCSA-N 0 3 322.424 2.479 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153226350 797303148 /nfs/dbraw/zinc/30/31/48/797303148.db2.gz FIFAJGHDXKKEMC-OAHLLOKOSA-N 0 3 309.413 2.298 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001192079093 797312567 /nfs/dbraw/zinc/31/25/67/797312567.db2.gz UIFNUXLKKPYBCM-NWANDNLSSA-N 0 3 306.406 2.026 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001192093801 797324985 /nfs/dbraw/zinc/32/49/85/797324985.db2.gz NPZPJXASUJHDPN-OAHLLOKOSA-N 0 3 324.856 2.426 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001153407918 797335060 /nfs/dbraw/zinc/33/50/60/797335060.db2.gz QLBOXRMXLLJEHL-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001153790633 797395615 /nfs/dbraw/zinc/39/56/15/797395615.db2.gz DIXQOMJCZLAOPP-LLVKDONJSA-N 0 3 322.840 2.404 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)ccc2F)C1 ZINC001192542526 797412780 /nfs/dbraw/zinc/41/27/80/797412780.db2.gz RVDSZSGINILOJU-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1scnc1C(F)(F)F ZINC001153864314 797413483 /nfs/dbraw/zinc/41/34/83/797413483.db2.gz PATYFILNAHRHNG-SECBINFHSA-N 0 3 319.352 2.235 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn2c1ccc(C)c2C ZINC001153879772 797416975 /nfs/dbraw/zinc/41/69/75/797416975.db2.gz KXCLXYVBJFORJE-CQSZACIVSA-N 0 3 312.417 2.025 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)c1ccncc1 ZINC001154008618 797441570 /nfs/dbraw/zinc/44/15/70/797441570.db2.gz BHVQPEPJKVQNAZ-JKSUJKDBSA-N 0 3 301.434 2.425 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cc(C)c(Cl)cn1 ZINC001154020264 797445368 /nfs/dbraw/zinc/44/53/68/797445368.db2.gz DJQIXUJGZPMVRD-CYBMUJFWSA-N 0 3 307.825 2.046 20 30 DEEDHN C#CC[C@H](NC[C@H](O)CN(C)CC(F)(F)F)c1ccccc1 ZINC001192792963 797456514 /nfs/dbraw/zinc/45/65/14/797456514.db2.gz UZHDZBKFEDNXBM-GJZGRUSLSA-N 0 3 314.351 2.196 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@@H]1C=CCC1 ZINC001154483108 797543765 /nfs/dbraw/zinc/54/37/65/797543765.db2.gz QERGCZFWEAMDES-GFCCVEGCSA-N 0 3 301.228 2.347 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cncc(OC(C)C)c1 ZINC001154596008 797570674 /nfs/dbraw/zinc/57/06/74/797570674.db2.gz IZFGOIKFWGXHCU-OAHLLOKOSA-N 0 3 317.433 2.332 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1cc(F)ccc1C)[C@H]1CCCO1 ZINC001193594598 797589455 /nfs/dbraw/zinc/58/94/55/797589455.db2.gz XCEQPCNKSDOOSQ-GOEBONIOSA-N 0 3 304.365 2.233 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cccc(C)n1 ZINC001154723954 797597403 /nfs/dbraw/zinc/59/74/03/797597403.db2.gz PEFMQOHOACFWLY-UHFFFAOYSA-N 0 3 312.211 2.008 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC001193874679 797642543 /nfs/dbraw/zinc/64/25/43/797642543.db2.gz YVYTZICSNSLKKU-KRWDZBQOSA-N 0 3 320.408 2.104 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001194275055 797697575 /nfs/dbraw/zinc/69/75/75/797697575.db2.gz RKOAHQIKDLYTSU-FMKPAKJESA-N 0 3 300.418 2.032 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc2c(C#N)c[nH]c2n1 ZINC001155258314 797718372 /nfs/dbraw/zinc/71/83/72/797718372.db2.gz OIAXPXQHDCGNTQ-SECBINFHSA-N 0 3 303.329 2.188 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001194611651 797745360 /nfs/dbraw/zinc/74/53/60/797745360.db2.gz QNFMJUHUUJJFRB-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001155426506 797755599 /nfs/dbraw/zinc/75/55/99/797755599.db2.gz DIBCNSJIFXXQDT-OAHLLOKOSA-N 0 3 315.417 2.135 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC(F)F)C1 ZINC001194745063 797765751 /nfs/dbraw/zinc/76/57/51/797765751.db2.gz IBJTZRPBKGISEK-CHWSQXEVSA-N 0 3 306.397 2.163 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(c2cccc(F)c2)CC1 ZINC001155638731 797813497 /nfs/dbraw/zinc/81/34/97/797813497.db2.gz HWBBWTFVJUSPAR-CQSZACIVSA-N 0 3 302.393 2.317 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001155764565 797843031 /nfs/dbraw/zinc/84/30/31/797843031.db2.gz VWXVGIOEPSGUBZ-KBAYOESNSA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC001195173944 797850802 /nfs/dbraw/zinc/85/08/02/797850802.db2.gz HDKVDCHUBSIUIU-HUUCEWRRSA-N 0 3 300.418 2.250 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cc(F)ccc1OC ZINC001155944786 797888047 /nfs/dbraw/zinc/88/80/47/797888047.db2.gz SCYDBRRDTWCCMV-CQSZACIVSA-N 0 3 320.408 2.227 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)/C=C\C2CC2)c1 ZINC001156174527 797939276 /nfs/dbraw/zinc/93/92/76/797939276.db2.gz ZAYFUHDRNUDHPI-ALCCZGGFSA-N 0 3 301.365 2.259 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccoc1Br ZINC001156214025 797950637 /nfs/dbraw/zinc/95/06/37/797950637.db2.gz AMQWIMOZXXYVHV-SNVBAGLBSA-N 0 3 313.195 2.116 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN(CCC[C@@H](C)O)CC1 ZINC001195957784 797990245 /nfs/dbraw/zinc/99/02/45/797990245.db2.gz HNBLLZOTRZSQPC-CYBMUJFWSA-N 0 3 316.873 2.460 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001196128009 798008342 /nfs/dbraw/zinc/00/83/42/798008342.db2.gz CBMPBOLGMMJMNM-VAOBHQIWSA-N 0 3 314.429 2.217 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C(C)(C)C(F)(F)F ZINC001156497487 798016440 /nfs/dbraw/zinc/01/64/40/798016440.db2.gz ZRTFLRVSAWJFAL-GFCCVEGCSA-N 0 3 322.371 2.051 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(OC)c1OC ZINC001156585444 798034670 /nfs/dbraw/zinc/03/46/70/798034670.db2.gz JXZUKNNPUUCBLY-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(NC(=O)NC)c1 ZINC001156672852 798059356 /nfs/dbraw/zinc/05/93/56/798059356.db2.gz ZEWMMQLLPHKNMY-UHFFFAOYSA-N 0 3 318.421 2.018 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156811845 798086310 /nfs/dbraw/zinc/08/63/10/798086310.db2.gz NLBCBTWZPQXPDD-UHFFFAOYSA-N 0 3 315.392 2.487 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001196911379 798126506 /nfs/dbraw/zinc/12/65/06/798126506.db2.gz JXUHCSVVJSBOTJ-NILFDRSVSA-N 0 3 308.447 2.186 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(OC)c(OC)cc1C ZINC001157041714 798132141 /nfs/dbraw/zinc/13/21/41/798132141.db2.gz SZKWNEHVARPRBR-CQSZACIVSA-N 0 3 318.417 2.086 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001157132153 798148119 /nfs/dbraw/zinc/14/81/19/798148119.db2.gz BJWSGEUWCIJGNU-LMWSTFAQSA-N 0 3 302.340 2.179 20 30 DEEDHN CN1CCC[C@H]2CN(c3nc(Cl)c(C#N)cc3C#N)C[C@@H]21 ZINC001157264302 798172405 /nfs/dbraw/zinc/17/24/05/798172405.db2.gz FAGDGZBRLLNKQJ-GWCFXTLKSA-N 0 3 301.781 2.009 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCn2ccnc2C)CC1 ZINC001197453312 798196084 /nfs/dbraw/zinc/19/60/84/798196084.db2.gz FDYFSTACXCMMBP-UHFFFAOYSA-N 0 3 304.438 2.082 20 30 DEEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2conc2COC)CC1 ZINC001197794149 798238736 /nfs/dbraw/zinc/23/87/36/798238736.db2.gz HLUKCJZQFQOGHF-CQSZACIVSA-N 0 3 321.421 2.324 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCCO1 ZINC001157812378 798285849 /nfs/dbraw/zinc/28/58/49/798285849.db2.gz UXCBGYBPLFMSDM-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccncc1C ZINC001157957712 798314146 /nfs/dbraw/zinc/31/41/46/798314146.db2.gz GQNZCAZRPPIKQE-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001157958345 798314401 /nfs/dbraw/zinc/31/44/01/798314401.db2.gz ROKHBXVTVBWUMZ-CABCVRRESA-N 0 3 316.449 2.329 20 30 DEEDHN C=CC[C@H]1CCN1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001198492204 798343423 /nfs/dbraw/zinc/34/34/23/798343423.db2.gz ZTEUUSGPAKCYJC-GVDBMIGSSA-N 0 3 316.401 2.019 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccn2ccnc2c1 ZINC001158217442 798361609 /nfs/dbraw/zinc/36/16/09/798361609.db2.gz PFSRCDHHJUDRMS-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCC(=O)NC[C@@H](NCCCOC)c1ccccc1OC ZINC001198596314 798364017 /nfs/dbraw/zinc/36/40/17/798364017.db2.gz PZUFWCZVRGIDGD-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@H]1CCOC1)c1ccccc1OC ZINC001198597180 798363965 /nfs/dbraw/zinc/36/39/65/798363965.db2.gz XWFGEQMENSQTFO-HOCLYGCPSA-N 0 3 318.417 2.055 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001158234431 798365115 /nfs/dbraw/zinc/36/51/15/798365115.db2.gz QHOYAQYLRTXJKZ-ZDUSSCGKSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1occ2c1CCOC2 ZINC001158270157 798371239 /nfs/dbraw/zinc/37/12/39/798371239.db2.gz GNEYVTJAYJYINY-OAHLLOKOSA-N 0 3 318.417 2.465 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)C#CC1CC1)c1ccccc1OC ZINC001198723044 798381944 /nfs/dbraw/zinc/38/19/44/798381944.db2.gz APORFTVSXCIHNC-KRWDZBQOSA-N 0 3 312.413 2.432 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](F)CC ZINC001158329812 798385495 /nfs/dbraw/zinc/38/54/95/798385495.db2.gz VAWZHXXWLXPKRR-HUUCEWRRSA-N 0 3 300.418 2.250 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001158498063 798417851 /nfs/dbraw/zinc/41/78/51/798417851.db2.gz CAEVPCVUONLCGM-LBPRGKRZSA-N 0 3 310.829 2.242 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001199001982 798428280 /nfs/dbraw/zinc/42/82/80/798428280.db2.gz NPUQFCDOGMNRMT-HOCLYGCPSA-N 0 3 320.433 2.443 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc2cc(C)ccn21 ZINC001158768949 798466138 /nfs/dbraw/zinc/46/61/38/798466138.db2.gz IGQBUSXWYRAEBO-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001199465759 798486346 /nfs/dbraw/zinc/48/63/46/798486346.db2.gz BVKSZIYGQWKSQL-FVQBIDKESA-N 0 3 320.408 2.264 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001199591347 798504233 /nfs/dbraw/zinc/50/42/33/798504233.db2.gz QAFFUGJYMHRUMP-PJHKVULZSA-N 0 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C=CCOC(=O)N[C@H]1CCCN(CCCc2cccnc2)C1 ZINC001209180843 801143132 /nfs/dbraw/zinc/14/31/32/801143132.db2.gz KPEZKGXXGJAVMM-INIZCTEOSA-N 0 3 303.406 2.391 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001209193890 801147761 /nfs/dbraw/zinc/14/77/61/801147761.db2.gz LDSFUKWFIYGVIP-NVXWUHKLSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001209193889 801148230 /nfs/dbraw/zinc/14/82/30/801148230.db2.gz LDSFUKWFIYGVIP-DOTOQJQBSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001209367001 801176217 /nfs/dbraw/zinc/17/62/17/801176217.db2.gz WYRCNTXGMPIRLM-TZMCWYRMSA-N 0 3 305.426 2.111 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001209366267 801176532 /nfs/dbraw/zinc/17/65/32/801176532.db2.gz PUGOTHRLJQQYCF-CQSZACIVSA-N 0 3 317.437 2.119 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1c[nH]nc1C)C2 ZINC001209553756 801215925 /nfs/dbraw/zinc/21/59/25/801215925.db2.gz MCOLUEIHUSZISI-IAGOWNOFSA-N 0 3 305.422 2.292 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC(C)(C)C ZINC001229202499 801241800 /nfs/dbraw/zinc/24/18/00/801241800.db2.gz UZGIHUGDTLDCOU-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001209769415 801279036 /nfs/dbraw/zinc/27/90/36/801279036.db2.gz LVJTTZGIGIMOMA-KBAYOESNSA-N 0 3 313.445 2.281 20 30 DEEDHN C=CCN1CCC(NC(=O)CCN(C)c2ccccc2)CC1 ZINC001229647725 801300882 /nfs/dbraw/zinc/30/08/82/801300882.db2.gz DXEADWAONMONPU-UHFFFAOYSA-N 0 3 301.434 2.280 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cccn2C(C)C)CC1 ZINC001230270876 801378142 /nfs/dbraw/zinc/37/81/42/801378142.db2.gz VMGJGEMNOGPIPA-UHFFFAOYSA-N 0 3 319.449 2.466 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(F)s2)CC1 ZINC001230422669 801401070 /nfs/dbraw/zinc/40/10/70/801401070.db2.gz AJWWJWYKUQIFRQ-UHFFFAOYSA-N 0 3 312.410 2.284 20 30 DEEDHN C#CCCN(CCCNC(=O)c1cccn1C)Cc1cccnc1 ZINC001230671762 801457374 /nfs/dbraw/zinc/45/73/74/801457374.db2.gz ZAMNHOTVBWXQCB-UHFFFAOYSA-N 0 3 324.428 2.066 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2ccccc2OC)C1 ZINC001210779138 801462154 /nfs/dbraw/zinc/46/21/54/801462154.db2.gz ZTOIEHVAHOQRNA-HUUCEWRRSA-N 0 3 318.417 2.087 20 30 DEEDHN C=C(C)CN(CCCNC(=O)c1cocn1)Cc1cccnc1 ZINC001230713667 801472102 /nfs/dbraw/zinc/47/21/02/801472102.db2.gz ILAPALBHDOYEEE-UHFFFAOYSA-N 0 3 314.389 2.268 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 ZINC001230715160 801473395 /nfs/dbraw/zinc/47/33/95/801473395.db2.gz RRZUDFAAISDNAH-MRXNPFEDSA-N 0 3 304.438 2.313 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001210903981 801484146 /nfs/dbraw/zinc/48/41/46/801484146.db2.gz BICOUNKEEVFYAO-JKIFEVAISA-N 0 3 318.392 2.053 20 30 DEEDHN C#CCCN(CCCNC(=O)c1cc[nH]c1)Cc1cccnc1 ZINC001230766732 801486436 /nfs/dbraw/zinc/48/64/36/801486436.db2.gz IXVJESZDRHTSJO-UHFFFAOYSA-N 0 3 310.401 2.055 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC001210925619 801488045 /nfs/dbraw/zinc/48/80/45/801488045.db2.gz NKSDNZLGQHLWNV-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCc2nc(C(C)C)no2)C1 ZINC001211016726 801498912 /nfs/dbraw/zinc/49/89/12/801498912.db2.gz NRUXOSFEKDMVDK-ZIAGYGMSSA-N 0 3 320.437 2.138 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001211175705 801524953 /nfs/dbraw/zinc/52/49/53/801524953.db2.gz AYTMTBMMNUGBLC-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001211424723 801564237 /nfs/dbraw/zinc/56/42/37/801564237.db2.gz COQDHGHKFKATMA-BFYDXBDKSA-N 0 3 302.418 2.214 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cncc(CC)c2)[C@H](OC)C1 ZINC001213173770 801578792 /nfs/dbraw/zinc/57/87/92/801578792.db2.gz WFZXPXHBAULVQE-IAGOWNOFSA-N 0 3 317.433 2.039 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2OC)CC1 ZINC001213395191 801602422 /nfs/dbraw/zinc/60/24/22/801602422.db2.gz QZAAPINVBPSNDL-HZPDHXFCSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCC(=O)NCC ZINC001231199289 801605523 /nfs/dbraw/zinc/60/55/23/801605523.db2.gz WFMGCILMTVLILS-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCC(F)(F)F)[C@H](OC)C1 ZINC001213479551 801613848 /nfs/dbraw/zinc/61/38/48/801613848.db2.gz WNPOOHBYHWGGRM-VXGBXAGGSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001213497785 801615558 /nfs/dbraw/zinc/61/55/58/801615558.db2.gz GMQKFCJNQRBQOC-MGPQQGTHSA-N 0 3 300.418 2.152 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccccc2F)[C@H](OC)C1 ZINC001213839086 801647401 /nfs/dbraw/zinc/64/74/01/801647401.db2.gz CDWRNLDVYYZAFD-IAGOWNOFSA-N 0 3 320.408 2.150 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CCC)C[C@H]1OC)c1ccccc1 ZINC001213899386 801653068 /nfs/dbraw/zinc/65/30/68/801653068.db2.gz ABZCHOKZAFYJIB-GVDBMIGSSA-N 0 3 302.418 2.182 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CC(C)C)C[C@H]2OC)CCCCC1 ZINC001213954282 801658817 /nfs/dbraw/zinc/65/88/17/801658817.db2.gz YFRDEGKBZQZZGP-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214420828 801712840 /nfs/dbraw/zinc/71/28/40/801712840.db2.gz PQEIKJXQVSCNSL-DNVCBOLYSA-N 0 3 321.424 2.425 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001214743798 801756914 /nfs/dbraw/zinc/75/69/14/801756914.db2.gz OIYBTUASUOTYEN-MGPQQGTHSA-N 0 3 319.453 2.221 20 30 DEEDHN N#Cc1ccnc(N2CCN(Cc3cc4c[nH]ccc-4n3)CC2)c1 ZINC001232013703 801768098 /nfs/dbraw/zinc/76/80/98/801768098.db2.gz DGBRNKQQQUCBRQ-UHFFFAOYSA-N 0 3 318.384 2.152 20 30 DEEDHN N#Cc1ccnc(N2CCN(Cc3cc4cnccc4[nH]3)CC2)c1 ZINC001232013703 801768102 /nfs/dbraw/zinc/76/81/02/801768102.db2.gz DGBRNKQQQUCBRQ-UHFFFAOYSA-N 0 3 318.384 2.152 20 30 DEEDHN C=C(C)COc1cccc(NC(=O)N(C)CCN(C)CCO)c1 ZINC001215119835 801806517 /nfs/dbraw/zinc/80/65/17/801806517.db2.gz OLVHWUHTMGNZMP-UHFFFAOYSA-N 0 3 321.421 2.029 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H](N)C[C@H](C)CC)cc1 ZINC000400890243 801810085 /nfs/dbraw/zinc/81/00/85/801810085.db2.gz HEVAGYPDTONJCN-IUODEOHRSA-N 0 3 303.406 2.304 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@@H](C)[C@H](NCc3cnn(C)c3)C2)CC1 ZINC001215470393 801865087 /nfs/dbraw/zinc/86/50/87/801865087.db2.gz RIXBKDYOQHCPQF-GDBMZVCRSA-N 0 3 316.449 2.103 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2cccc(C#N)n2)C[C@H]1c1ccccc1 ZINC001232927023 801986673 /nfs/dbraw/zinc/98/66/73/801986673.db2.gz MXGYKYCKVHVCHR-ROUUACIJSA-N 0 3 321.380 2.342 20 30 DEEDHN CCCCCCCCCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001216544521 801987324 /nfs/dbraw/zinc/98/73/24/801987324.db2.gz WCYRSOSBBNGVGV-HUUCEWRRSA-N 0 3 311.470 2.049 20 30 DEEDHN C=CCN(C)Cc1ccc(OCCOC)c(OCCOC)c1 ZINC001233087231 802024663 /nfs/dbraw/zinc/02/46/63/802024663.db2.gz KPNOWUWECZBBQR-UHFFFAOYSA-N 0 3 309.406 2.355 20 30 DEEDHN CN(C)c1ccc(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(F)c1C#N ZINC001233101969 802026708 /nfs/dbraw/zinc/02/67/08/802026708.db2.gz LZJIIOGQTBRZDK-ULAZLLGUSA-N 0 3 315.392 2.373 20 30 DEEDHN C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1NCC#Cc1ccccc1 ZINC001216800609 802027234 /nfs/dbraw/zinc/02/72/34/802027234.db2.gz AATMGOVJMUMXAP-VQIMIIECSA-N 0 3 321.424 2.045 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccc(N)n1)C2 ZINC001233370294 802094621 /nfs/dbraw/zinc/09/46/21/802094621.db2.gz WKJSUEQDPLRGAW-AEFFLSMTSA-N 0 3 317.433 2.238 20 30 DEEDHN C#CCCCC(=O)N1CCO[C@@H]2CN(CC/C=C/CCC)C[C@@H]21 ZINC001217757895 802112195 /nfs/dbraw/zinc/11/21/95/802112195.db2.gz DTWUXQXTFQHZOQ-KBSZCIAZSA-N 0 3 318.461 2.448 20 30 DEEDHN CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1cccc2c1CNC2 ZINC001218356733 802170888 /nfs/dbraw/zinc/17/08/88/802170888.db2.gz RNMRZQAYQKSBCW-INIZCTEOSA-N 0 3 317.461 2.481 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC34CC4)[C@H]2C1 ZINC001218683049 802227253 /nfs/dbraw/zinc/22/72/53/802227253.db2.gz LKBUQFYWJOGBAP-YESZJQIVSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCC3(C)CC3)[C@H]2C1 ZINC001218905258 802257700 /nfs/dbraw/zinc/25/77/00/802257700.db2.gz OJWYGGSVHLENBR-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CSCCC)[C@@H](O)C1 ZINC001219276903 802304089 /nfs/dbraw/zinc/30/40/89/802304089.db2.gz CGUGOSQVEJUPMA-CABCVRRESA-N 0 3 316.511 2.261 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001219305739 802309172 /nfs/dbraw/zinc/30/91/72/802309172.db2.gz DNKQWEWAHNYHSO-NEPJUHHUSA-N 0 3 310.360 2.071 20 30 DEEDHN Cc1cc(CN(C)CCCNC(=O)CSCC#N)cs1 ZINC001234154168 802312781 /nfs/dbraw/zinc/31/27/81/802312781.db2.gz GOQCJZNSMGEKAJ-UHFFFAOYSA-N 0 3 311.476 2.251 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@@H]1O ZINC001219531928 802341164 /nfs/dbraw/zinc/34/11/64/802341164.db2.gz ARCDRYPWUZKTSN-NXHRZFHOSA-N 0 3 314.429 2.021 20 30 DEEDHN CN[C@H](C(=O)N[C@H](C#N)c1ccccc1)[C@@H](C)OC(C)(C)C ZINC001219558750 802345074 /nfs/dbraw/zinc/34/50/74/802345074.db2.gz UQPCXGKBGFAPMB-YUELXQCFSA-N 0 3 303.406 2.159 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](O)C1 ZINC001220180519 802421895 /nfs/dbraw/zinc/42/18/95/802421895.db2.gz HSKOAQAOXGVIHV-QLFBSQMISA-N 0 3 302.434 2.112 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](O)C1 ZINC001220229312 802429848 /nfs/dbraw/zinc/42/98/48/802429848.db2.gz XOUVJMKVNNDVJE-DFBGVHRSSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2c(C)cccc2C)C[C@@H]1O ZINC001220239746 802429946 /nfs/dbraw/zinc/42/99/46/802429946.db2.gz RQWIHOXKRPKCPJ-MSOLQXFVSA-N 0 3 316.445 2.321 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)[C@@H](O)C1 ZINC001220430268 802458985 /nfs/dbraw/zinc/45/89/85/802458985.db2.gz POKKBAUJSUVYKY-XHSDSOJGSA-N 0 3 308.466 2.308 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)CC2CCCCC2)[C@@H](O)C1 ZINC001220470156 802464808 /nfs/dbraw/zinc/46/48/08/802464808.db2.gz ULXMCAAOBDLFII-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@@H](O)C1 ZINC001221027555 802521201 /nfs/dbraw/zinc/52/12/01/802521201.db2.gz JUDZBFCYFVVKBV-RYRKJORJSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2(CC=C)CCCCC2)[C@@H](O)C1 ZINC001221052456 802524536 /nfs/dbraw/zinc/52/45/36/802524536.db2.gz LOGHKRILTZWWSK-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@@H]1CN(CCC)C[C@@H]1O)c1ccccc1 ZINC001221194306 802535454 /nfs/dbraw/zinc/53/54/54/802535454.db2.gz ATBHVWUYQRRONZ-KURKYZTESA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCCC)C[C@@H]2O)CCCC1 ZINC001221198714 802535822 /nfs/dbraw/zinc/53/58/22/802535822.db2.gz ITCVEHIDRUXGMC-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCc2ccc(C)s2)[C@@H](O)C1 ZINC001221196352 802535912 /nfs/dbraw/zinc/53/59/12/802535912.db2.gz HYNULDRXVGAHGP-CVEARBPZSA-N 0 3 322.474 2.117 20 30 DEEDHN C#CCC1(C(=O)N2C[C@H]3CCN(CCCOCC)C[C@H]32)CCC1 ZINC001221611329 802596529 /nfs/dbraw/zinc/59/65/29/802596529.db2.gz WNQUGFZYBFMYGK-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221646605 802599901 /nfs/dbraw/zinc/59/99/01/802599901.db2.gz HUTCQAJOGDOOIT-BZUAXINKSA-N 0 3 308.466 2.404 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CCN([C@H](C)COC)C[C@H]21 ZINC001221741400 802609265 /nfs/dbraw/zinc/60/92/65/802609265.db2.gz ZTIGLQWTVGCZMH-BRWVUGGUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001221899066 802626154 /nfs/dbraw/zinc/62/61/54/802626154.db2.gz KHBHZECIRUUDRG-GVDBMIGSSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(C[C@@H](C)O)C[C@H]32)CCCC1 ZINC001222146626 802648648 /nfs/dbraw/zinc/64/86/48/802648648.db2.gz RJIJPMCWTLVPSM-BZUAXINKSA-N 0 3 306.450 2.036 20 30 DEEDHN C=CCCC(=O)NCC1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001222612504 802716700 /nfs/dbraw/zinc/71/67/00/802716700.db2.gz FDFQWJHJAPKZAJ-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCC3CCOCC3)C[C@@H]21 ZINC001222854997 802744658 /nfs/dbraw/zinc/74/46/58/802744658.db2.gz LJTYVHPOBQBTKU-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCCC(=O)NCC1CCN(Cc2c(C)noc2C)CC1 ZINC001222987754 802755539 /nfs/dbraw/zinc/75/55/39/802755539.db2.gz YWLMTKZVYQLLGU-UHFFFAOYSA-N 0 3 317.433 2.423 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCCCOCCC=C)CC1 ZINC001223190081 802772105 /nfs/dbraw/zinc/77/21/05/802772105.db2.gz RRWCRDOONUHDJC-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3cocc3C)C[C@@H]21 ZINC001223271991 802776940 /nfs/dbraw/zinc/77/69/40/802776940.db2.gz RJENTMNLZMFVFL-WBVHZDCISA-N 0 3 318.417 2.327 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@H](C#N)c3ccccc3)C[C@H]1N2C ZINC001223710584 802809922 /nfs/dbraw/zinc/80/99/22/802809922.db2.gz CMCJDLCGAOYLLO-IECFSIQFSA-N 0 3 314.385 2.435 20 30 DEEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)C(F)F ZINC001224372910 802861754 /nfs/dbraw/zinc/86/17/54/802861754.db2.gz UGALMYZPKMRNBY-HUUCEWRRSA-N 0 3 306.356 2.320 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(CCOCC)CCCC2)CC1 ZINC001224980894 802923946 /nfs/dbraw/zinc/92/39/46/802923946.db2.gz QBQLTESMMZEELI-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001225271475 802949718 /nfs/dbraw/zinc/94/97/18/802949718.db2.gz ULCFEFMMNVOEGE-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC001225625929 802992327 /nfs/dbraw/zinc/99/23/27/802992327.db2.gz QQKMLMWFTULHRH-HXUWFJFHSA-N 0 3 310.441 2.352 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001225626250 802992394 /nfs/dbraw/zinc/99/23/94/802992394.db2.gz VVKXQYLAYVKIHU-HNNXBMFYSA-N 0 3 317.433 2.001 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](OCC)c2ccccc2)CC1 ZINC001225638980 802995335 /nfs/dbraw/zinc/99/53/35/802995335.db2.gz LRKFYOIQHVIAOK-SFHVURJKSA-N 0 3 314.429 2.226 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001225921007 803029726 /nfs/dbraw/zinc/02/97/26/803029726.db2.gz JLIDSMISGQKFIE-HUUCEWRRSA-N 0 3 305.447 2.464 20 30 DEEDHN C=CCCC(=O)NC1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC001226518813 803119451 /nfs/dbraw/zinc/11/94/51/803119451.db2.gz MSLDEIQRPQVLGF-KRWDZBQOSA-N 0 3 320.408 2.406 20 30 DEEDHN COc1ccc(CN2CCC(NC(=O)[C@@H](C)C#N)CC2)cc1C ZINC001226641295 803135384 /nfs/dbraw/zinc/13/53/84/803135384.db2.gz YDIYSMBRQNIJHS-AWEZNQCLSA-N 0 3 315.417 2.244 20 30 DEEDHN Cc1cccc(OCCN2CCC(NC(=O)[C@H](C)C#N)CC2)c1 ZINC001226648842 803135907 /nfs/dbraw/zinc/13/59/07/803135907.db2.gz OFUTYLMVEDTUCY-OAHLLOKOSA-N 0 3 315.417 2.114 20 30 DEEDHN Cc1ccc(OCCN2CCC(NC(=O)[C@H](C)C#N)CC2)cc1 ZINC001226648606 803136243 /nfs/dbraw/zinc/13/62/43/803136243.db2.gz LIGLPRIYZZJHLV-OAHLLOKOSA-N 0 3 315.417 2.114 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2C=CC=CC=C2)CC1 ZINC001227570941 803254213 /nfs/dbraw/zinc/25/42/13/803254213.db2.gz TWNFYWSASKJAQS-UHFFFAOYSA-N 0 3 302.418 2.068 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1ccnc1 ZINC001227840096 803287217 /nfs/dbraw/zinc/28/72/17/803287217.db2.gz YPCHEXROMUMBHF-ZIAGYGMSSA-N 0 3 310.829 2.043 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(C#N)c3C)C[C@H]1N2C ZINC001228028195 803309523 /nfs/dbraw/zinc/30/95/23/803309523.db2.gz WYJMHDKWIDWJTF-CUSZFKRNSA-N 0 3 314.385 2.412 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228750149 803406387 /nfs/dbraw/zinc/40/63/87/803406387.db2.gz WNFGQLKBUSJBML-CABCVRRESA-N 0 3 318.465 2.001 20 30 DEEDHN C=C(Br)CNCCC[C@H](C)NC(=O)c1cocn1 ZINC001330770585 1149289219 /nfs/dbraw/zinc/28/92/19/1149289219.db2.gz VCHKUBUQSGPIOV-JTQLQIEISA-N 0 3 316.199 2.071 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cncs1 ZINC001368838753 1148703730 /nfs/dbraw/zinc/70/37/30/1148703730.db2.gz CZFOBCXIENGNIE-UWVGGRQHSA-N 0 3 320.443 2.373 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cscn1 ZINC001368839227 1148704559 /nfs/dbraw/zinc/70/45/59/1148704559.db2.gz FXGAUUMLDLNSFN-ZJUUUORDSA-N 0 3 320.443 2.373 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001331323074 1149418608 /nfs/dbraw/zinc/41/86/08/1149418608.db2.gz AJLBUDQHEGAFMY-SJLPKXTDSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C[C@H](O)c1nnc(N2CCN([C@@H](C)CC)CC2)n1CC(C)C ZINC001342994406 1150648143 /nfs/dbraw/zinc/64/81/43/1150648143.db2.gz RKVAWJIRIHWDQN-GJZGRUSLSA-N 0 3 321.469 2.074 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)NCc1cccc(CC)c1 ZINC001331770632 1149665045 /nfs/dbraw/zinc/66/50/45/1149665045.db2.gz HSPSCSGMJLHRKG-INIZCTEOSA-N 0 3 304.434 2.028 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](CO)NCc1ccccc1C ZINC001331789605 1149687024 /nfs/dbraw/zinc/68/70/24/1149687024.db2.gz JUYCOLKPSNVVMO-INIZCTEOSA-N 0 3 304.434 2.164 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cccc(C2CC2)c1 ZINC001479816397 1150826086 /nfs/dbraw/zinc/82/60/86/1150826086.db2.gz PHFMMDSSSVYWLT-UHFFFAOYSA-N 0 3 314.429 2.266 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1 ZINC001344558158 1150829728 /nfs/dbraw/zinc/82/97/28/1150829728.db2.gz OBNULJZSYFRUDC-RHSMWYFYSA-N 0 3 317.389 2.264 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)CN(CC)CC)C1 ZINC001345191277 1150872629 /nfs/dbraw/zinc/87/26/29/1150872629.db2.gz LVDPEYVWSIFZPO-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN COc1ccc(C)cc1CNC1(CNC(=O)[C@@H](C)C#N)CCC1 ZINC001368466201 1148456865 /nfs/dbraw/zinc/45/68/65/1148456865.db2.gz RXKQWTAQZWBJQZ-AWEZNQCLSA-N 0 3 315.417 2.292 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)C2CC2)C1 ZINC001368471669 1148458587 /nfs/dbraw/zinc/45/85/87/1148458587.db2.gz YIVPPGBIBRCTAF-WZRBSPASSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1c[nH]nn1)CC(C)C ZINC001575072631 1069355796 /nfs/dbraw/zinc/35/57/96/1069355796.db2.gz KUGYIKYTOKZGCK-CJNGLKHVSA-N 0 3 307.442 2.028 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001523229938 1069600118 /nfs/dbraw/zinc/60/01/18/1069600118.db2.gz ALXIEQZWGHSLEC-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001328501487 1148803266 /nfs/dbraw/zinc/80/32/66/1148803266.db2.gz QGKLUFXSSUCYSY-PIIMJCKOSA-N 0 3 319.493 2.123 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001350905573 1151424074 /nfs/dbraw/zinc/42/40/74/1151424074.db2.gz DZVRMHQWKFRGGM-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC[N@H+](CCc1ccncc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602852479 1069779058 /nfs/dbraw/zinc/77/90/58/1069779058.db2.gz QYQOBRUKIAPZMR-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@@H+](CCc1ccncc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602852479 1069779069 /nfs/dbraw/zinc/77/90/69/1069779069.db2.gz QYQOBRUKIAPZMR-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@H+](CCc1ccncc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602852479 1069779074 /nfs/dbraw/zinc/77/90/74/1069779074.db2.gz QYQOBRUKIAPZMR-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@@H+](CCc1ccncc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602852479 1069779084 /nfs/dbraw/zinc/77/90/84/1069779084.db2.gz QYQOBRUKIAPZMR-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCO[C@H](C)C1 ZINC001602859532 1069780943 /nfs/dbraw/zinc/78/09/43/1069780943.db2.gz BGQGHKAPFXZBFL-CZUORRHYSA-N 0 3 313.405 2.422 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCO[C@H](C)C1 ZINC001602859532 1069780956 /nfs/dbraw/zinc/78/09/56/1069780956.db2.gz BGQGHKAPFXZBFL-CZUORRHYSA-N 0 3 313.405 2.422 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCO[C@H](C)C1 ZINC001602859532 1069780969 /nfs/dbraw/zinc/78/09/69/1069780969.db2.gz BGQGHKAPFXZBFL-CZUORRHYSA-N 0 3 313.405 2.422 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCO[C@H](C)C1 ZINC001602859532 1069780978 /nfs/dbraw/zinc/78/09/78/1069780978.db2.gz BGQGHKAPFXZBFL-CZUORRHYSA-N 0 3 313.405 2.422 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001328779144 1148833884 /nfs/dbraw/zinc/83/38/84/1148833884.db2.gz DPIIHIJEKIYUAS-WFASDCNBSA-N 0 3 304.438 2.239 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001369110105 1148850605 /nfs/dbraw/zinc/85/06/05/1148850605.db2.gz WKODZYYFTZFYRV-KGLIPLIRSA-N 0 3 315.889 2.152 20 30 DEEDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)c2cccc(C#N)c2)C[C@@H]1O ZINC001459884551 1058227893 /nfs/dbraw/zinc/22/78/93/1058227893.db2.gz WBHNPABBSKWQNJ-IKGGRYGDSA-N 0 3 302.418 2.321 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)CC3CCCC3)C2)CC1 ZINC001500012087 1058429536 /nfs/dbraw/zinc/42/95/36/1058429536.db2.gz RZHCYLDUPIZFRJ-KRWDZBQOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C(=O)c1nocc1C)C1CCN(CC(=C)C)CC1 ZINC001500054158 1058455283 /nfs/dbraw/zinc/45/52/83/1058455283.db2.gz JIQIPOCYLFLBEE-UHFFFAOYSA-N 0 3 301.390 2.099 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H](NC(C)=O)C1CCCC1 ZINC001500063102 1058462691 /nfs/dbraw/zinc/46/26/91/1058462691.db2.gz IGCJCHOKOQNGMA-PBHICJAKSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001460976263 1058557663 /nfs/dbraw/zinc/55/76/63/1058557663.db2.gz SRYSCKACDWXWPB-CIRFHOKZSA-N 0 3 321.465 2.320 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001500267519 1058653962 /nfs/dbraw/zinc/65/39/62/1058653962.db2.gz DMXFENSJBFUYTG-LZLYRXPVSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2c(C)onc2CC)CC1 ZINC001500463283 1058805581 /nfs/dbraw/zinc/80/55/81/1058805581.db2.gz WLVKIKABXKWNGF-UHFFFAOYSA-N 0 3 303.406 2.011 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C)CCCN(CC#CC)C1 ZINC001500537891 1058906234 /nfs/dbraw/zinc/90/62/34/1058906234.db2.gz MOFFSBSEQKSOII-JENIJYKNSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)C(C)(C)C(F)F)C1 ZINC001500616475 1058969051 /nfs/dbraw/zinc/96/90/51/1058969051.db2.gz CXJHVNFYMIQKTL-LLVKDONJSA-N 0 3 322.346 2.374 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001501322647 1059446302 /nfs/dbraw/zinc/44/63/02/1059446302.db2.gz AGWPDTVTTABQJL-FCEWJHQRSA-N 0 3 320.477 2.025 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001501350252 1059463329 /nfs/dbraw/zinc/46/33/29/1059463329.db2.gz UETVQNQDRYEMBA-APWZRJJASA-N 0 3 322.493 2.415 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001467728364 1059693143 /nfs/dbraw/zinc/69/31/43/1059693143.db2.gz 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Cc1nsc(C)c1CNC[C@@H](NC(=O)C#CC(C)C)C1CC1 ZINC001498757926 1066869069 /nfs/dbraw/zinc/86/90/69/1066869069.db2.gz FDIZLJRBHIGLHZ-MRXNPFEDSA-N 0 3 319.474 2.404 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(NC(C)=O)c1 ZINC001634640500 1078434108 /nfs/dbraw/zinc/43/41/08/1078434108.db2.gz FLEJNHKJDFPGPI-UHFFFAOYSA-N 0 3 303.406 2.225 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COc1cccc(OC)c1 ZINC001634640810 1078434125 /nfs/dbraw/zinc/43/41/25/1078434125.db2.gz NHRONTBKUFEMQM-UHFFFAOYSA-N 0 3 306.406 2.040 20 30 DEEDHN CCOC(=O)c1sc(NC(=O)[C@@H](N)CCCC#N)cc1C ZINC001578070258 1066969897 /nfs/dbraw/zinc/96/98/97/1066969897.db2.gz UZWYLGATDCGJBH-JTQLQIEISA-N 0 3 309.391 2.193 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001635752976 1078457886 /nfs/dbraw/zinc/45/78/86/1078457886.db2.gz ATANRMFEENZHIZ-UHFFFAOYSA-N 0 3 321.377 2.183 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001499137510 1067114173 /nfs/dbraw/zinc/11/41/73/1067114173.db2.gz IDKGQJXJDMHXAY-IAGOWNOFSA-N 0 3 314.429 2.455 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@H](CC)Oc1ccccc1F ZINC001266986291 1078482283 /nfs/dbraw/zinc/48/22/83/1078482283.db2.gz WMZQWCZREJDMTC-HIFRSBDPSA-N 0 3 306.381 2.101 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001266985917 1078482309 /nfs/dbraw/zinc/48/23/09/1078482309.db2.gz RAVSNNHZGSMSCB-MRXNPFEDSA-N 0 3 316.445 2.017 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)c2c(F)cccc2F)CC1 ZINC001499290159 1067172264 /nfs/dbraw/zinc/17/22/64/1067172264.db2.gz RRSINFUFYBBXSS-GFCCVEGCSA-N 0 3 306.356 2.330 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(CC#CCOC)C1 ZINC001499481999 1067234407 /nfs/dbraw/zinc/23/44/07/1067234407.db2.gz SLJSPFBIRCDWOU-ZWKOTPCHSA-N 0 3 318.461 2.305 20 30 DEEDHN COCC#CCN1CC[C@]2(CCN(C(=O)CCC3(C)CC3)C2)C1 ZINC001499617036 1067280336 /nfs/dbraw/zinc/28/03/36/1067280336.db2.gz WVOAFQAVHIRBBS-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1(OC)CCC1 ZINC001279556448 1078511238 /nfs/dbraw/zinc/51/12/38/1078511238.db2.gz QYHOWYUTFKAVGV-HOTGVXAUSA-N 0 3 304.434 2.034 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc([N+](=O)[O-])cc1 ZINC001579480550 1067350704 /nfs/dbraw/zinc/35/07/04/1067350704.db2.gz WQQXTJFANNLFMM-SMDDNHRTSA-N 0 3 304.350 2.183 20 30 DEEDHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cccc(C#N)c1Br ZINC001579494386 1067354387 /nfs/dbraw/zinc/35/43/87/1067354387.db2.gz NNHXIDJGJWCBIC-AOOOYVTPSA-N 0 3 322.206 2.143 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC001267026434 1078512962 /nfs/dbraw/zinc/51/29/62/1078512962.db2.gz GQUORAKROUSATP-AWEZNQCLSA-N 0 3 306.356 2.111 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2ccn(C(C)C)n2)C1 ZINC001267031980 1078516318 /nfs/dbraw/zinc/51/63/18/1078516318.db2.gz CEUOXTODTVNQJY-HNNXBMFYSA-N 0 3 304.438 2.368 20 30 DEEDHN Cc1cccc(Cn2nccc2NC(=O)[C@H](N)CCCC#N)c1 ZINC001579766993 1067418991 /nfs/dbraw/zinc/41/89/91/1067418991.db2.gz JPLLKJUVOWRZCE-OAHLLOKOSA-N 0 3 311.389 2.200 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001267042963 1078523509 /nfs/dbraw/zinc/52/35/09/1078523509.db2.gz GFYHZSGEWDZQMF-GXTWGEPZSA-N 0 3 319.453 2.215 20 30 DEEDHN CCCCCCCC[C@H](CO)NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001638550830 1078569012 /nfs/dbraw/zinc/56/90/12/1078569012.db2.gz RCDSLMATDORMDT-OAGGEKHMSA-N 0 3 313.486 2.490 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001640020222 1078637717 /nfs/dbraw/zinc/63/77/17/1078637717.db2.gz SEMZJLFHQVSNGT-UHFFFAOYSA-N 0 3 318.343 2.019 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1ccc(C)n1 ZINC001570537204 1067992997 /nfs/dbraw/zinc/99/29/97/1067992997.db2.gz ZGJIDZOIWBPCNX-CVEARBPZSA-N 0 3 304.438 2.251 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CC(CNCc2cccnc2OC)C1 ZINC001570569381 1068010256 /nfs/dbraw/zinc/01/02/56/1068010256.db2.gz KCMCFOPFDXUQGQ-UHFFFAOYSA-N 0 3 317.433 2.287 20 30 DEEDHN COCc1ccc(CN(C)[C@H](C)CNC(=O)C#CC(C)C)cc1 ZINC001570709408 1068083949 /nfs/dbraw/zinc/08/39/49/1068083949.db2.gz QMIAIJKMIUQUJD-MRXNPFEDSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(Br)c[nH]1 ZINC001570722687 1068095439 /nfs/dbraw/zinc/09/54/39/1068095439.db2.gz ZSWHLXRYBNVKPQ-SECBINFHSA-N 0 3 300.200 2.013 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)c1ccccc1F ZINC001570807630 1068121902 /nfs/dbraw/zinc/12/19/02/1068121902.db2.gz PODUCYHHRJGKIA-OAHLLOKOSA-N 0 3 320.408 2.354 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H](C)C1CN(CCCF)C1 ZINC001570860662 1068143999 /nfs/dbraw/zinc/14/39/99/1068143999.db2.gz XLWDZHXEHMKEQL-CQSZACIVSA-N 0 3 302.393 2.007 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCNCc1cnc(C)cn1 ZINC001571297521 1068211722 /nfs/dbraw/zinc/21/17/22/1068211722.db2.gz VJKDZNTURFHDNG-CYBMUJFWSA-N 0 3 304.438 2.372 20 30 DEEDHN Cc1cnccc1C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001571385308 1068266127 /nfs/dbraw/zinc/26/61/27/1068266127.db2.gz FKXBFUFRCNTUMG-QGZVFWFLSA-N 0 3 321.424 2.492 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)CN1C(=O)C#CC1CC1 ZINC001571476677 1068330875 /nfs/dbraw/zinc/33/08/75/1068330875.db2.gz HXGNIRJCGYPDFS-KXBFYZLASA-N 0 3 324.399 2.170 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(F)cc2F)C1 ZINC001571482011 1068337189 /nfs/dbraw/zinc/33/71/89/1068337189.db2.gz YEJIVKDPYJWMNC-OLZOCXBDSA-N 0 3 306.356 2.489 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCc2ccco2)[C@@H]1C ZINC001571514800 1068374180 /nfs/dbraw/zinc/37/41/80/1068374180.db2.gz KLNMWHHULJPBRQ-DOTOQJQBSA-N 0 3 320.433 2.384 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(CC)Cc2ccccc2)cn1 ZINC001267255894 1078701989 /nfs/dbraw/zinc/70/19/89/1078701989.db2.gz RWCXKMOZLCZMIK-UHFFFAOYSA-N 0 3 307.397 2.315 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)COCc2cccnc2)[C@H]1C ZINC001571525939 1068395291 /nfs/dbraw/zinc/39/52/91/1068395291.db2.gz YZDAFGDSQZURFF-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCC3CCOCC3)CC2)CC1 ZINC001571669975 1068471197 /nfs/dbraw/zinc/47/11/97/1068471197.db2.gz UTRKQPFQOLIIIE-UHFFFAOYSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)C[C@](C)(O)C2CC2)c(F)c1 ZINC001571702023 1068491650 /nfs/dbraw/zinc/49/16/50/1068491650.db2.gz FOKVWPZCPBQLNX-SFHVURJKSA-N 0 3 320.408 2.269 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1ccn(C(C)C)n1 ZINC001267277340 1078723923 /nfs/dbraw/zinc/72/39/23/1078723923.db2.gz WPJYIRGGUFERQR-INIZCTEOSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001267299490 1078746384 /nfs/dbraw/zinc/74/63/84/1078746384.db2.gz CRGWAHLXDJDOMG-HOTGVXAUSA-N 0 3 318.465 2.269 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001572261545 1068709657 /nfs/dbraw/zinc/70/96/57/1068709657.db2.gz UZYPEVJZVBWIBX-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)OCc1ccncc1 ZINC001483683319 1078789276 /nfs/dbraw/zinc/78/92/76/1078789276.db2.gz YOYIBDSZLJFQRG-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN CCO[C@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)C(C)C ZINC001267372377 1078802484 /nfs/dbraw/zinc/80/24/84/1078802484.db2.gz OIABYXXPEDJZOP-KRWDZBQOSA-N 0 3 317.433 2.167 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1ccn(CC)n1)c1ccccc1 ZINC001267361605 1078793298 /nfs/dbraw/zinc/79/32/98/1078793298.db2.gz DEWYNRDYHKSYMF-QGZVFWFLSA-N 0 3 312.417 2.079 20 30 DEEDHN C#CCNCCN(CCO)C(=O)c1ccccc1-c1ccccc1 ZINC001272307574 1078796349 /nfs/dbraw/zinc/79/63/49/1078796349.db2.gz UGMNHPCSVWMIHX-UHFFFAOYSA-N 0 3 322.408 2.011 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1c[nH]nc1C1CC1)c1ccccc1 ZINC001267378205 1078809096 /nfs/dbraw/zinc/80/90/96/1078809096.db2.gz YSISBCJWJRXMRJ-QGZVFWFLSA-N 0 3 322.412 2.371 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001518477430 1069005295 /nfs/dbraw/zinc/00/52/95/1069005295.db2.gz TWWFWJUOPRYXAS-HRCADAONSA-N 0 3 314.385 2.135 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@H]1C ZINC001573497569 1069018524 /nfs/dbraw/zinc/01/85/24/1069018524.db2.gz HZKPCFWYDBDWKT-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@@H]1C ZINC001573562141 1069038643 /nfs/dbraw/zinc/03/86/43/1069038643.db2.gz JXTRGNSHELCPHS-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001574545241 1069237058 /nfs/dbraw/zinc/23/70/58/1069237058.db2.gz ORMDYIIKOTXZFK-CVEARBPZSA-N 0 3 312.413 2.299 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001574545243 1069237135 /nfs/dbraw/zinc/23/71/35/1069237135.db2.gz ORMDYIIKOTXZFK-HZPDHXFCSA-N 0 3 312.413 2.299 20 30 DEEDHN C#CCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)C1CSC1 ZINC001574583966 1069240797 /nfs/dbraw/zinc/24/07/97/1069240797.db2.gz QCSMLYUMSVSEOY-ZDUSSCGKSA-N 0 3 323.849 2.011 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1NCCc2ccccc21 ZINC001574766561 1069259955 /nfs/dbraw/zinc/25/99/55/1069259955.db2.gz UHHZGLRDMJYRIO-LJQANCHMSA-N 0 3 304.393 2.214 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC001521687173 1069263278 /nfs/dbraw/zinc/26/32/78/1069263278.db2.gz RMYIGRMTVLBXQV-WMLDXEAASA-N 0 3 310.438 2.108 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC001574849172 1069276307 /nfs/dbraw/zinc/27/63/07/1069276307.db2.gz KEXYXPGPKHEOPH-GFCCVEGCSA-N 0 3 300.761 2.263 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(OC)cc2CC1 ZINC001574851729 1069276943 /nfs/dbraw/zinc/27/69/43/1069276943.db2.gz KVAGMWUWUHQWGL-OAHLLOKOSA-N 0 3 308.809 2.092 20 30 DEEDHN O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001543282650 1072487074 /nfs/dbraw/zinc/48/70/74/1072487074.db2.gz FEZLWQYGCXYKLN-CDVVCGDMSA-N 0 3 316.376 2.009 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)Cc2cccc(OC)c2)CC1 ZINC001279163893 1078914270 /nfs/dbraw/zinc/91/42/70/1078914270.db2.gz HLZQBFUUJDRICR-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ncccc1OC)c1ccccc1 ZINC001267526513 1078957465 /nfs/dbraw/zinc/95/74/65/1078957465.db2.gz VHRIHLHYHJOZKX-MRXNPFEDSA-N 0 3 323.396 2.174 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC ZINC001267534648 1078965042 /nfs/dbraw/zinc/96/50/42/1078965042.db2.gz ULSUFUGNDBTQIZ-ZACQAIPSSA-N 0 3 306.450 2.280 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3cc(CC)no3)C2)C1=O ZINC001272571187 1078965457 /nfs/dbraw/zinc/96/54/57/1078965457.db2.gz GVQBTCHPMRLGMK-QGZVFWFLSA-N 0 3 303.406 2.238 20 30 DEEDHN Cn1cccc1CN1CCC2(C[C@H]2C(=O)NCCCC#N)CC1 ZINC001272577473 1078976370 /nfs/dbraw/zinc/97/63/70/1078976370.db2.gz KLXQUTGAKUUPKM-INIZCTEOSA-N 0 3 314.433 2.047 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cccn1C)CC2 ZINC001272579337 1078979029 /nfs/dbraw/zinc/97/90/29/1078979029.db2.gz YDVWAPKDHNCHGH-MRXNPFEDSA-N 0 3 301.434 2.320 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)C2CC3(CCC3)C2)C1 ZINC001267565235 1078998355 /nfs/dbraw/zinc/99/83/55/1078998355.db2.gz YSTMABBNAKMROO-MRXNPFEDSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cc(Br)c[nH]1 ZINC001480987148 1079032408 /nfs/dbraw/zinc/03/24/08/1079032408.db2.gz XEMZVUQLEYVGJB-UHFFFAOYSA-N 0 3 300.200 2.015 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(CC#CCOC)C1 ZINC001267570398 1079025162 /nfs/dbraw/zinc/02/51/62/1079025162.db2.gz OECAIJUMFMCSMK-SJLPKXTDSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@H]1CCCO1 ZINC001272661331 1079069575 /nfs/dbraw/zinc/06/95/75/1079069575.db2.gz CTXFLFBCWUNXBU-GOSISDBHSA-N 0 3 314.429 2.327 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccsn1)NCc1ccc(C#N)s1 ZINC001369258881 1148883707 /nfs/dbraw/zinc/88/37/07/1148883707.db2.gz HGDPTVFJCGYIFV-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@H](F)CC)C2 ZINC001483830377 1079141693 /nfs/dbraw/zinc/14/16/93/1079141693.db2.gz NNHOWDLKLPQFRE-AEFFLSMTSA-N 0 3 324.440 2.089 20 30 DEEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCCN1CCO)c1ccccc1 ZINC001481073951 1079153860 /nfs/dbraw/zinc/15/38/60/1079153860.db2.gz WZGBLXWNELONHL-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2cc(C)oc2C)CC1 ZINC001267605584 1079183455 /nfs/dbraw/zinc/18/34/55/1079183455.db2.gz XOXFGHCEZXCDEK-UHFFFAOYSA-N 0 3 319.449 2.162 20 30 DEEDHN Cc1cc(C(=O)N2CCC[C@H]2CNCC#Cc2ccccc2)on1 ZINC001483919434 1079184212 /nfs/dbraw/zinc/18/42/12/1079184212.db2.gz HQAIDUXPBALUKV-KRWDZBQOSA-N 0 3 323.396 2.229 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001267613734 1079220343 /nfs/dbraw/zinc/22/03/43/1079220343.db2.gz SEJYBHFVOPCUIJ-QGZVFWFLSA-N 0 3 302.418 2.068 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(Cc2cccc(OC)c2C)CC1 ZINC001483977828 1079223122 /nfs/dbraw/zinc/22/31/22/1079223122.db2.gz FWANGVOZQYWHRR-UHFFFAOYSA-N 0 3 314.429 2.450 20 30 DEEDHN C=CCC[C@@H](O)CNCc1ccc(Br)nc1OC ZINC001252619117 1093601398 /nfs/dbraw/zinc/60/13/98/1093601398.db2.gz JGQLFVNCCSEFBF-LLVKDONJSA-N 0 3 315.211 2.269 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(C(=O)OCC)c1ccccc1 ZINC001646173586 1074359477 /nfs/dbraw/zinc/35/94/77/1074359477.db2.gz WLQCMRRZIVNECD-BBRMVZONSA-N 0 3 324.808 2.051 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccnn1C1CCC1)C1CC1 ZINC001481170071 1079285803 /nfs/dbraw/zinc/28/58/03/1079285803.db2.gz CNEGFROZNULZKC-UHFFFAOYSA-N 0 3 302.422 2.378 20 30 DEEDHN CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001646717509 1074573690 /nfs/dbraw/zinc/57/36/90/1074573690.db2.gz LENDOMIAPSRQRS-GJZGRUSLSA-N 0 3 316.453 2.237 20 30 DEEDHN C=CCN(CCNC(=O)c1sccc1CN(C)C)C1CC1 ZINC001481171326 1079288419 /nfs/dbraw/zinc/28/84/19/1079288419.db2.gz YLXPFRGDNWQILK-UHFFFAOYSA-N 0 3 307.463 2.190 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2ccc(F)c(F)c2)C1 ZINC001484073419 1079289247 /nfs/dbraw/zinc/28/92/47/1079289247.db2.gz LINOKUKTMZFPOV-MRXNPFEDSA-N 0 3 310.344 2.110 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc(CC)c[nH]c1=O)C1CC1 ZINC001481191855 1079314433 /nfs/dbraw/zinc/31/44/33/1079314433.db2.gz LXFWBQCDZNJAHN-UHFFFAOYSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(C)nnc2CC)C1 ZINC001484163027 1079335862 /nfs/dbraw/zinc/33/58/62/1079335862.db2.gz GCUNVNIPAJYWDH-GOSISDBHSA-N 0 3 316.449 2.365 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncc(OC)cc2F)C1 ZINC001484159678 1079335259 /nfs/dbraw/zinc/33/52/59/1079335259.db2.gz DFGNLWPRZSUQLF-QGZVFWFLSA-N 0 3 321.396 2.247 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC001647357468 1074893235 /nfs/dbraw/zinc/89/32/35/1074893235.db2.gz QXAUZWHQPUZFMZ-OLZOCXBDSA-N 0 3 300.761 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC001649983205 1079337400 /nfs/dbraw/zinc/33/74/00/1079337400.db2.gz VRLFCONCERYYKW-GFCCVEGCSA-N 0 3 321.808 2.305 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NC[C@H]2CN3CCC2CC3)cc1 ZINC001648310459 1074992899 /nfs/dbraw/zinc/99/28/99/1074992899.db2.gz SEJHAHFTGGKFHF-LXXRFIIISA-N 0 3 312.413 2.192 20 30 DEEDHN Cc1ccn(C[C@@H](C)C(=O)C(C#N)c2ncc(F)cc2F)n1 ZINC001649268092 1075012621 /nfs/dbraw/zinc/01/26/21/1075012621.db2.gz DOVFRVXOHAFEDQ-BXKDBHETSA-N 0 3 304.300 2.377 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(C(F)(F)F)cnn1C ZINC001556466615 1075032360 /nfs/dbraw/zinc/03/23/60/1075032360.db2.gz GKSBIHPPTHUAKF-UHFFFAOYSA-N 0 3 318.343 2.019 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001484194030 1079352492 /nfs/dbraw/zinc/35/24/92/1079352492.db2.gz SYSGRKLLTOLHRM-ZIAGYGMSSA-N 0 3 318.408 2.449 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001484195435 1079353394 /nfs/dbraw/zinc/35/33/94/1079353394.db2.gz HQBVXDSRUQUSSA-RYUDHWBXSA-N 0 3 322.346 2.374 20 30 DEEDHN C#CCCN1CCC[C@@H]2[C@H](NC(=O)CCCC(C)=O)C(C)(C)[C@H]21 ZINC001565992157 1075213321 /nfs/dbraw/zinc/21/33/21/1075213321.db2.gz CZEQGATYLAMUCI-NJAFHUGGSA-N 0 3 318.461 2.374 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2scnc2C)[C@H]1CC ZINC001566024490 1075218533 /nfs/dbraw/zinc/21/85/33/1075218533.db2.gz HJQLBHFBDCKBIT-LSDHHAIUSA-N 0 3 319.474 2.377 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccco1 ZINC001566123667 1075232865 /nfs/dbraw/zinc/23/28/65/1075232865.db2.gz UNXKKAZWNSWGQN-INIZCTEOSA-N 0 3 320.433 2.338 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)NCc1ccc(Cl)cc1C ZINC001283744649 1079379576 /nfs/dbraw/zinc/37/95/76/1079379576.db2.gz GZHVLGBVHGTRRT-HNNXBMFYSA-N 0 3 310.825 2.181 20 30 DEEDHN CC/C=C\CCN1CCN(CCCNC(=O)C#CC(C)C)CC1 ZINC001566639798 1075303335 /nfs/dbraw/zinc/30/33/35/1075303335.db2.gz HFCFEOXRYBXWMS-WAYWQWQTSA-N 0 3 319.493 2.126 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2(COC)CCCCC2)CC1 ZINC001566689494 1075318728 /nfs/dbraw/zinc/31/87/28/1075318728.db2.gz OKYSSOJTWIHPKH-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001566735218 1075329990 /nfs/dbraw/zinc/32/99/90/1075329990.db2.gz FVFQRSNFDGNAHR-HNNXBMFYSA-N 0 3 300.402 2.200 20 30 DEEDHN CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001566735218 1075329994 /nfs/dbraw/zinc/32/99/94/1075329994.db2.gz FVFQRSNFDGNAHR-HNNXBMFYSA-N 0 3 300.402 2.200 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1CCCC[C@@H]1CNCCF ZINC001566953187 1075397595 /nfs/dbraw/zinc/39/75/95/1075397595.db2.gz BWXROXHONNSYQQ-QGZVFWFLSA-N 0 3 302.393 2.368 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C)CCOCC2)C1 ZINC001566964559 1075402038 /nfs/dbraw/zinc/40/20/38/1075402038.db2.gz ABQKOHIBUFFMSK-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2cncc(F)c2)cc1 ZINC001567042629 1075421228 /nfs/dbraw/zinc/42/12/28/1075421228.db2.gz WKWHADDSMJZQKA-CYBMUJFWSA-N 0 3 311.360 2.110 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(C(C)C)nc1CC ZINC001567054598 1075423671 /nfs/dbraw/zinc/42/36/71/1075423671.db2.gz VQWQOIQHNDFZOZ-CQSZACIVSA-N 0 3 301.434 2.499 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCCOc1cccc(C)c1 ZINC001567075859 1075427744 /nfs/dbraw/zinc/42/77/44/1075427744.db2.gz JAPCGUOSTURTEB-MRXNPFEDSA-N 0 3 302.418 2.272 20 30 DEEDHN CCCC[C@@H](CC)CC(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001567100339 1075432171 /nfs/dbraw/zinc/43/21/71/1075432171.db2.gz WAVRHWVINRTJGA-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC(F)(F)F ZINC001481213559 1079406249 /nfs/dbraw/zinc/40/62/49/1079406249.db2.gz HCPPDXAFTBVGSL-UHFFFAOYSA-N 0 3 317.286 2.198 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001567202414 1075462871 /nfs/dbraw/zinc/46/28/71/1075462871.db2.gz OCYCHDHMLOTMAV-SJORKVTESA-N 0 3 314.429 2.400 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001567279408 1075486117 /nfs/dbraw/zinc/48/61/17/1075486117.db2.gz USVZPARALRJQJP-CXAGYDPISA-N 0 3 308.397 2.262 20 30 DEEDHN CC(C)C#CC(=O)NCCN(C)CCc1ccc(F)c(F)c1 ZINC001567279810 1075486670 /nfs/dbraw/zinc/48/66/70/1075486670.db2.gz JZOHDNUQAGTGED-UHFFFAOYSA-N 0 3 308.372 2.215 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001267724362 1079413044 /nfs/dbraw/zinc/41/30/44/1079413044.db2.gz UGXJQSHUZMMGIP-SFHVURJKSA-N 0 3 314.429 2.034 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001267733866 1079424821 /nfs/dbraw/zinc/42/48/21/1079424821.db2.gz HZSLQPBHSOFPKH-HNNXBMFYSA-N 0 3 322.836 2.276 20 30 DEEDHN Cc1cnccc1C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481227829 1079438438 /nfs/dbraw/zinc/43/84/38/1079438438.db2.gz GRHKGYPZQQPHIF-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)NCc1cc(C)sc1C ZINC001283792693 1079454041 /nfs/dbraw/zinc/45/40/41/1079454041.db2.gz NUIBSDRTZDTUOB-AWEZNQCLSA-N 0 3 310.463 2.144 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc2c([nH]1)c(F)ccc2C ZINC001481247784 1079470675 /nfs/dbraw/zinc/47/06/75/1079470675.db2.gz DYABGOAGRULTBI-UHFFFAOYSA-N 0 3 301.365 2.300 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(C(F)(F)F)CCC2)C1 ZINC001267767707 1079472201 /nfs/dbraw/zinc/47/22/01/1079472201.db2.gz QUCPDEUMFWPZQW-GFCCVEGCSA-N 0 3 302.340 2.275 20 30 DEEDHN C=CCCN1CC[C@H](N(CC)C(=O)C(=O)Nc2ccccc2)C1 ZINC001267788134 1079495904 /nfs/dbraw/zinc/49/59/04/1079495904.db2.gz QMNQTSSAKQNMES-INIZCTEOSA-N 0 3 315.417 2.124 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@H](C)C(F)(F)F)C1 ZINC001267790464 1079497857 /nfs/dbraw/zinc/49/78/57/1079497857.db2.gz LPSJEURCUZSFFH-QWHCGFSZSA-N 0 3 322.371 2.310 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cccn2)C1 ZINC001267789777 1079497877 /nfs/dbraw/zinc/49/78/77/1079497877.db2.gz KTCALIJUCUDINE-HZPDHXFCSA-N 0 3 304.438 2.333 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)[C@H](F)C(C)C)cc1C#N ZINC001481268516 1079500742 /nfs/dbraw/zinc/50/07/42/1079500742.db2.gz YMPJHDPJMPDBAK-MRXNPFEDSA-N 0 3 321.396 2.109 20 30 DEEDHN C#CC[C@@H]([NH2+]Cc1ccncc1-c1nnn[n-]1)c1ccccc1 ZINC001588334306 1076442365 /nfs/dbraw/zinc/44/23/65/1076442365.db2.gz SNZMDAQEHCIEMC-MRXNPFEDSA-N 0 3 304.357 2.116 20 30 DEEDHN C=CC[C@@H](C)[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588539585 1076453071 /nfs/dbraw/zinc/45/30/71/1076453071.db2.gz QPFVDSPAXASSRH-CQSZACIVSA-N 0 3 312.421 2.343 20 30 DEEDHN C=CC[C@@H](C)[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588539585 1076453072 /nfs/dbraw/zinc/45/30/72/1076453072.db2.gz QPFVDSPAXASSRH-CQSZACIVSA-N 0 3 312.421 2.343 20 30 DEEDHN C=CC[C@@H](C)[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588539585 1076453075 /nfs/dbraw/zinc/45/30/75/1076453075.db2.gz QPFVDSPAXASSRH-CQSZACIVSA-N 0 3 312.421 2.343 20 30 DEEDHN C=CC[C@@H](C)[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588539585 1076453078 /nfs/dbraw/zinc/45/30/78/1076453078.db2.gz QPFVDSPAXASSRH-CQSZACIVSA-N 0 3 312.421 2.343 20 30 DEEDHN CCCC[N@H+](C)C[C@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590600833 1076659560 /nfs/dbraw/zinc/65/95/60/1076659560.db2.gz YASFEONPQNXPKO-LBPRGKRZSA-N 0 3 313.409 2.271 20 30 DEEDHN CCCC[N@@H+](C)C[C@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590600833 1076659561 /nfs/dbraw/zinc/65/95/61/1076659561.db2.gz YASFEONPQNXPKO-LBPRGKRZSA-N 0 3 313.409 2.271 20 30 DEEDHN CCCC[N@H+](C)C[C@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590600833 1076659564 /nfs/dbraw/zinc/65/95/64/1076659564.db2.gz YASFEONPQNXPKO-LBPRGKRZSA-N 0 3 313.409 2.271 20 30 DEEDHN CCCC[N@@H+](C)C[C@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590600833 1076659567 /nfs/dbraw/zinc/65/95/67/1076659567.db2.gz YASFEONPQNXPKO-LBPRGKRZSA-N 0 3 313.409 2.271 20 30 DEEDHN N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592672065 1076949156 /nfs/dbraw/zinc/94/91/56/1076949156.db2.gz BNMMAZZNGUBFDK-MWLCHTKSSA-N 0 3 302.769 2.302 20 30 DEEDHN N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592672063 1076949865 /nfs/dbraw/zinc/94/98/65/1076949865.db2.gz BNMMAZZNGUBFDK-GXSJLCMTSA-N 0 3 302.769 2.302 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001329489103 1148899651 /nfs/dbraw/zinc/89/96/51/1148899651.db2.gz QCBXFBAFBXZRTO-GFCCVEGCSA-N 0 3 308.422 2.458 20 30 DEEDHN C=CCCC[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609054626 1077751320 /nfs/dbraw/zinc/75/13/20/1077751320.db2.gz DTNVASRSXNWGMM-UHFFFAOYSA-N 0 3 302.338 2.173 20 30 DEEDHN C=CCCC[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609054626 1077751325 /nfs/dbraw/zinc/75/13/25/1077751325.db2.gz DTNVASRSXNWGMM-UHFFFAOYSA-N 0 3 302.338 2.173 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609059703 1077751725 /nfs/dbraw/zinc/75/17/25/1077751725.db2.gz FQHBHHIFNZJNCT-IMJJTQAJSA-N 0 3 311.389 2.035 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609059703 1077751731 /nfs/dbraw/zinc/75/17/31/1077751731.db2.gz FQHBHHIFNZJNCT-IMJJTQAJSA-N 0 3 311.389 2.035 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CC)NCc2ccnn2C)CCC1 ZINC001267818532 1079513493 /nfs/dbraw/zinc/51/34/93/1079513493.db2.gz IYLYGDNXZCBWNI-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cn1cccn1)c1ccccc1CC ZINC001484323088 1079538353 /nfs/dbraw/zinc/53/83/53/1079538353.db2.gz CPTUGSNAPWXZES-QGZVFWFLSA-N 0 3 312.417 2.079 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@](C)(CNCc1n[nH]c(C)n1)C1CC1 ZINC001267852290 1079540786 /nfs/dbraw/zinc/54/07/86/1079540786.db2.gz CKCSNONXOSYXDD-QGZVFWFLSA-N 0 3 319.453 2.090 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@H](C)NCc2ccn(CC)n2)C1 ZINC001484329755 1079545512 /nfs/dbraw/zinc/54/55/12/1079545512.db2.gz AAOGPKQPIVEBPU-LSDHHAIUSA-N 0 3 304.438 2.196 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@]2(CNCCF)CCCC[C@@H]2C)c1 ZINC001267874296 1079562624 /nfs/dbraw/zinc/56/26/24/1079562624.db2.gz SJXLSJBNAAUFLI-KBXCAEBGSA-N 0 3 317.408 2.301 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNCc1nccs1 ZINC001484369244 1079571172 /nfs/dbraw/zinc/57/11/72/1079571172.db2.gz WMHLBTLPJOMJSK-KGLIPLIRSA-N 0 3 319.474 2.377 20 30 DEEDHN CCCCCCN1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 ZINC001484434586 1079609684 /nfs/dbraw/zinc/60/96/84/1079609684.db2.gz KFIPIFFJXBYXIX-GOSISDBHSA-N 0 3 308.466 2.169 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ccncc2F)cc1 ZINC001267935979 1079615967 /nfs/dbraw/zinc/61/59/67/1079615967.db2.gz CCCYTAJGYSSEOF-UHFFFAOYSA-N 0 3 311.360 2.264 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001267955342 1079635279 /nfs/dbraw/zinc/63/52/79/1079635279.db2.gz RJXOOHLHRHYKMF-GFCCVEGCSA-N 0 3 301.217 2.299 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)CCNC/C=C/Cl ZINC001481300850 1079684361 /nfs/dbraw/zinc/68/43/61/1079684361.db2.gz JHEMXJAGVYALRX-FNORWQNLSA-N 0 3 309.797 2.061 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(NCc2cccc(F)c2)CCC1 ZINC001484632126 1079699270 /nfs/dbraw/zinc/69/92/70/1079699270.db2.gz NBRCLGLECOGYFB-QGZVFWFLSA-N 0 3 320.408 2.281 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N2CCN(CCC3CC3)CC2)C1 ZINC001484701564 1079728783 /nfs/dbraw/zinc/72/87/83/1079728783.db2.gz JCDSNKZMMUEAFS-GOSISDBHSA-N 0 3 319.493 2.361 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001484743601 1079762677 /nfs/dbraw/zinc/76/26/77/1079762677.db2.gz NDVFBWVLCPXAAH-CQSZACIVSA-N 0 3 306.381 2.007 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@@H](C)O ZINC001481382439 1079769767 /nfs/dbraw/zinc/76/97/67/1079769767.db2.gz OENWKNAOFMZWBD-KURKYZTESA-N 0 3 320.477 2.406 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC)CCOCC1 ZINC001481387169 1079772928 /nfs/dbraw/zinc/77/29/28/1079772928.db2.gz IGGUZGMNJFIBNP-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001484749219 1079778919 /nfs/dbraw/zinc/77/89/19/1079778919.db2.gz CFPPRKQYYRIOES-UHFFFAOYSA-N 0 3 324.428 2.494 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC2(F)F)C1 ZINC001481396858 1079782526 /nfs/dbraw/zinc/78/25/26/1079782526.db2.gz MMNSMGWBMQWLDP-KGLIPLIRSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001484822432 1079815027 /nfs/dbraw/zinc/81/50/27/1079815027.db2.gz AWPOIATUZGLPKC-MJGOQNOKSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)Cc2cc(C)on2)cc1 ZINC001272690571 1079820045 /nfs/dbraw/zinc/82/00/45/1079820045.db2.gz BCPHQCMVHRSZHH-CQSZACIVSA-N 0 3 311.385 2.126 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001484844557 1079823874 /nfs/dbraw/zinc/82/38/74/1079823874.db2.gz RIXMIOWFWOJZBI-IBGZPJMESA-N 0 3 320.477 2.169 20 30 DEEDHN COCCCCN1Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2C1 ZINC001484873725 1079831663 /nfs/dbraw/zinc/83/16/63/1079831663.db2.gz QKEZRVLLVUXRLJ-AWEZNQCLSA-N 0 3 315.417 2.205 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccncc2)C[C@H]1NCC#Cc1ccccc1 ZINC001484878098 1079834588 /nfs/dbraw/zinc/83/45/88/1079834588.db2.gz OFYWRDXSEACFCM-QFBILLFUSA-N 0 3 319.408 2.183 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(N[C@@H](C)c2n[nH]c(C)n2)CCCC1 ZINC001268038320 1079877214 /nfs/dbraw/zinc/87/72/14/1079877214.db2.gz QLVVFAHVTGBWMG-LBPRGKRZSA-N 0 3 319.453 2.405 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001481472492 1079926246 /nfs/dbraw/zinc/92/62/46/1079926246.db2.gz PHBREUCWHQTUMA-MJGOQNOKSA-N 0 3 321.509 2.321 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)CCO[C@H]1CC1(F)F ZINC001485051435 1079939511 /nfs/dbraw/zinc/93/95/11/1079939511.db2.gz WHNKYGWMEVTXNU-KGLIPLIRSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001485053769 1079941158 /nfs/dbraw/zinc/94/11/58/1079941158.db2.gz CJOVRFODVDNQLT-MWDXBVQZSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCOCc2ccccc2)C1 ZINC001481538806 1080026078 /nfs/dbraw/zinc/02/60/78/1080026078.db2.gz WMFYAXUQYPTFTH-SFHVURJKSA-N 0 3 314.429 2.197 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2cnc(C)nc2)cc1 ZINC001268077335 1080027359 /nfs/dbraw/zinc/02/73/59/1080027359.db2.gz KTHUYZKUTYCLDE-AWEZNQCLSA-N 0 3 322.412 2.017 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCC(=O)NC(CC)CC)C1 ZINC001268085314 1080039657 /nfs/dbraw/zinc/03/96/57/1080039657.db2.gz OTKATAHPTBZNET-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1ncoc1CNC1CCC(N(C)C(=O)[C@H](C)C#N)CC1 ZINC001485237160 1080082652 /nfs/dbraw/zinc/08/26/52/1080082652.db2.gz VOIBDCSIPFOBJL-LMWSTFAQSA-N 0 3 304.394 2.002 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCCn2cccc2)[C@H]1CC ZINC001656763794 1080121932 /nfs/dbraw/zinc/12/19/32/1080121932.db2.gz PDLJLFQMFRNWIK-DLBZAZTESA-N 0 3 301.434 2.261 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)CCn1nc(C)cc1C ZINC001485310923 1080132478 /nfs/dbraw/zinc/13/24/78/1080132478.db2.gz XFHIRHDGBWRDSV-INIZCTEOSA-N 0 3 306.454 2.293 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](CCC)OCC)CC(C)(C)C1 ZINC001657102401 1080156053 /nfs/dbraw/zinc/15/60/53/1080156053.db2.gz TXAYJOGKQFGJBJ-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN COC[C@@H](C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001268204160 1080190157 /nfs/dbraw/zinc/19/01/57/1080190157.db2.gz GOAVNPXEIDPVHE-SJLPKXTDSA-N 0 3 316.445 2.051 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(C)c(C)c1 ZINC001268237689 1080218827 /nfs/dbraw/zinc/21/88/27/1080218827.db2.gz NYSURSUQVMOKEQ-KRWDZBQOSA-N 0 3 316.445 2.232 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC001658859915 1080221125 /nfs/dbraw/zinc/22/11/25/1080221125.db2.gz FSMORDVWMYHMCA-QAPCUYQASA-N 0 3 321.417 2.390 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cccnc1C(F)(F)F ZINC001268250028 1080231619 /nfs/dbraw/zinc/23/16/19/1080231619.db2.gz FJVOVBNZQXBHJO-UHFFFAOYSA-N 0 3 301.312 2.290 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(OC)ccc1OC ZINC001268256091 1080235852 /nfs/dbraw/zinc/23/58/52/1080235852.db2.gz IYPPUISHKUREQC-UHFFFAOYSA-N 0 3 306.406 2.284 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccnn2C)C1 ZINC001268270609 1080250807 /nfs/dbraw/zinc/25/08/07/1080250807.db2.gz YFKHSBNAEWXIHB-DOTOQJQBSA-N 0 3 316.449 2.199 20 30 DEEDHN C[C@H](c1ccccc1)N1CC([C@H](C)NC(=O)CSCC#N)C1 ZINC001485492145 1080252530 /nfs/dbraw/zinc/25/25/30/1080252530.db2.gz VYPGFIJCOGYBPY-UONOGXRCSA-N 0 3 317.458 2.441 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001485513011 1080261561 /nfs/dbraw/zinc/26/15/61/1080261561.db2.gz ULZOQFHDOZKRCG-AWEZNQCLSA-N 0 3 308.466 2.452 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCN(C)Cc1ccccc1OC1CC1 ZINC001660081426 1080263684 /nfs/dbraw/zinc/26/36/84/1080263684.db2.gz PUYHHILMBVJZNA-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](OC)C1CCCC1 ZINC001481667675 1080277797 /nfs/dbraw/zinc/27/77/97/1080277797.db2.gz IXLZUNWOSKTJMW-ULQDDVLXSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCOCc2ccccc2)C1 ZINC001485537574 1080284538 /nfs/dbraw/zinc/28/45/38/1080284538.db2.gz PLAMKASFKOQEAD-INIZCTEOSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H]2CCCOC2)CCC1 ZINC001481676797 1080287842 /nfs/dbraw/zinc/28/78/42/1080287842.db2.gz NEFNGCZFEWFTGP-IKGGRYGDSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)COc2ccccc2OC)C1 ZINC001485535950 1080289520 /nfs/dbraw/zinc/28/95/20/1080289520.db2.gz OYTBDNHYOBNQMX-AWEZNQCLSA-N 0 3 318.417 2.087 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@]2(C1)CN(CC1CCC1)CCO2 ZINC001485556283 1080294760 /nfs/dbraw/zinc/29/47/60/1080294760.db2.gz KPTFDPHRPFAKOI-GOSISDBHSA-N 0 3 306.450 2.446 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(C)CCC(F)(F)F)c1 ZINC001660298724 1080303863 /nfs/dbraw/zinc/30/38/63/1080303863.db2.gz CFKPXKNFZZXHTL-UHFFFAOYSA-N 0 3 313.323 2.067 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cccnc2C)C(C)(C)C1 ZINC001485575966 1080318752 /nfs/dbraw/zinc/31/87/52/1080318752.db2.gz AAOFXMGYJVRFAX-MRXNPFEDSA-N 0 3 317.433 2.033 20 30 DEEDHN C=CC[C@H](C(=O)N[C@H]1CN(CCO)CC1(C)C)c1ccccc1 ZINC001485587382 1080325171 /nfs/dbraw/zinc/32/51/71/1080325171.db2.gz UXSXMEARWUALEP-IRXDYDNUSA-N 0 3 316.445 2.165 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001485692902 1080376944 /nfs/dbraw/zinc/37/69/44/1080376944.db2.gz PHFSOQBNVZMTMY-MGPQQGTHSA-N 0 3 322.478 2.433 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H]1C[C@H]1c1ccsc1)C1CC1 ZINC001660696142 1080380812 /nfs/dbraw/zinc/38/08/12/1080380812.db2.gz NRLAGIRXBLBKQR-JKSUJKDBSA-N 0 3 302.443 2.456 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC1 ZINC001660703482 1080382113 /nfs/dbraw/zinc/38/21/13/1080382113.db2.gz GNSADFIFDHAVCG-IAGOWNOFSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@H](C)n2cccc2)CC1 ZINC001660769132 1080394521 /nfs/dbraw/zinc/39/45/21/1080394521.db2.gz XTCIQUSBMFDASE-INIZCTEOSA-N 0 3 319.449 2.175 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001660855290 1080410013 /nfs/dbraw/zinc/41/00/13/1080410013.db2.gz DUMSHCPRFWIIFZ-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2cn(C)nc2C)C2CC2)C1 ZINC001661169649 1080450993 /nfs/dbraw/zinc/45/09/93/1080450993.db2.gz YDGMUVRPDHCERZ-MRXNPFEDSA-N 0 3 316.449 2.069 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)ccc1F)CC2 ZINC001272706868 1080460797 /nfs/dbraw/zinc/46/07/97/1080460797.db2.gz ILEOJQKMOWMTJN-INIZCTEOSA-N 0 3 314.404 2.486 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H](CNCc2ccccc2F)C1 ZINC001280569439 1080468508 /nfs/dbraw/zinc/46/85/08/1080468508.db2.gz ZPTFDXPQYPVGNZ-HNNXBMFYSA-N 0 3 306.381 2.109 20 30 DEEDHN CC[C@@H](CNC(=O)C(C)(F)F)NCC#Cc1ccc(F)cc1 ZINC001481784181 1080496349 /nfs/dbraw/zinc/49/63/49/1080496349.db2.gz WWULXMRTKNKANJ-AWEZNQCLSA-N 0 3 312.335 2.317 20 30 DEEDHN CC[C@H](CNC(=O)c1n[nH]c(C)c1C)NCC#Cc1ccccc1 ZINC001481797645 1080514760 /nfs/dbraw/zinc/51/47/60/1080514760.db2.gz MNNHJOBWTUKGNM-QGZVFWFLSA-N 0 3 324.428 2.176 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001661748142 1080516823 /nfs/dbraw/zinc/51/68/23/1080516823.db2.gz NAQGMPHONJAFLY-QGZVFWFLSA-N 0 3 310.441 2.179 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H](CC)NCc2ncccc2C)c1 ZINC001481848087 1080547162 /nfs/dbraw/zinc/54/71/62/1080547162.db2.gz WUWIUWNNPSJGBD-QGZVFWFLSA-N 0 3 322.412 2.065 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001661989109 1080556998 /nfs/dbraw/zinc/55/69/98/1080556998.db2.gz JCIDGQUHNIVTDK-SJLPKXTDSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(COC)CCC2)C1 ZINC001661995040 1080559008 /nfs/dbraw/zinc/55/90/08/1080559008.db2.gz CERWJAUKNHZWLO-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC1(C(=O)N(CC)CCNCC(=O)NC(C)(C)C)CCC1 ZINC001268477310 1080583483 /nfs/dbraw/zinc/58/34/83/1080583483.db2.gz PDGCFYAPYJZANK-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2cnc(C)nc2)CCCC1 ZINC001481892289 1080587030 /nfs/dbraw/zinc/58/70/30/1080587030.db2.gz NIIQMZDCZLDPNQ-UHFFFAOYSA-N 0 3 302.422 2.270 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cc2cccc(OC)c2o1 ZINC001662319316 1080596382 /nfs/dbraw/zinc/59/63/82/1080596382.db2.gz HQLGZFQNZKINGA-GFCCVEGCSA-N 0 3 300.358 2.173 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cn(C)nc2C(F)F)C1 ZINC001662470150 1080610494 /nfs/dbraw/zinc/61/04/94/1080610494.db2.gz CCAFQLGYPKGEIZ-LBPRGKRZSA-N 0 3 312.364 2.014 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC001127713668 1080625282 /nfs/dbraw/zinc/62/52/82/1080625282.db2.gz GIZNOFBEGJSJPN-FHLIZLRMSA-N 0 3 309.413 2.366 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC001662872159 1080671521 /nfs/dbraw/zinc/67/15/21/1080671521.db2.gz GMZDHLPJIOWYQR-MRXNPFEDSA-N 0 3 300.402 2.012 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](OCC)c2ccccc2)C1 ZINC001662878651 1080671701 /nfs/dbraw/zinc/67/17/01/1080671701.db2.gz SRCUKJKLSLKZHR-QZTJIDSGSA-N 0 3 314.429 2.320 20 30 DEEDHN Cc1nc(CNCCC2CCN(C(=O)[C@@H](C)C#N)CC2)c(C)o1 ZINC001481997484 1080677444 /nfs/dbraw/zinc/67/74/44/1080677444.db2.gz WSVGODNVPDSWLS-LBPRGKRZSA-N 0 3 318.421 2.169 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1cncn1C ZINC001663083846 1080696994 /nfs/dbraw/zinc/69/69/94/1080696994.db2.gz AZBKVBIVRSSPNL-CYBMUJFWSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1n1cccn1 ZINC001663200673 1080718673 /nfs/dbraw/zinc/71/86/73/1080718673.db2.gz CLKGLKQVGANQTP-CVEARBPZSA-N 0 3 304.438 2.239 20 30 DEEDHN N#Cc1ccc(C(=O)NC/C=C\CNCc2cccc(F)c2)[nH]1 ZINC001268530033 1080723889 /nfs/dbraw/zinc/72/38/89/1080723889.db2.gz WWVGGEQQCIFYAE-UPHRSURJSA-N 0 3 312.348 2.101 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)C(C)(C)C(C)(F)F ZINC001663543194 1080772939 /nfs/dbraw/zinc/77/29/39/1080772939.db2.gz SRNJIXOVRBBZPN-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001663559455 1080774567 /nfs/dbraw/zinc/77/45/67/1080774567.db2.gz HLUXMJOXNPAYCP-CQSZACIVSA-N 0 3 321.421 2.021 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001663597429 1080784227 /nfs/dbraw/zinc/78/42/27/1080784227.db2.gz AXYVHECVGNWMSP-LBPRGKRZSA-N 0 3 302.340 2.180 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCn2ccc3ccccc32)C1 ZINC001663638402 1080797281 /nfs/dbraw/zinc/79/72/81/1080797281.db2.gz FJODBWTXNMPGCW-MRXNPFEDSA-N 0 3 309.413 2.103 20 30 DEEDHN CC[C@H](F)C(=O)NC/C=C/CNCc1ccc(OC)c(C#N)c1 ZINC001268576925 1080798712 /nfs/dbraw/zinc/79/87/12/1080798712.db2.gz XRFQDGWVPRTHTM-RGDDUWESSA-N 0 3 319.380 2.077 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cn(CCC)nc1C)C1CC1 ZINC001663763192 1080813872 /nfs/dbraw/zinc/81/38/72/1080813872.db2.gz MMVQZEBXFQDJRQ-UHFFFAOYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001329500703 1148903074 /nfs/dbraw/zinc/90/30/74/1148903074.db2.gz LLVMWLANHRKSSN-SNVBAGLBSA-N 0 3 306.435 2.179 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNCc1ccnc(N(C)C)c1 ZINC001663960182 1080842904 /nfs/dbraw/zinc/84/29/04/1080842904.db2.gz HRBLXVBULFPWKQ-UHFFFAOYSA-N 0 3 304.438 2.052 20 30 DEEDHN Cc1cocc1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001664120947 1080862720 /nfs/dbraw/zinc/86/27/20/1080862720.db2.gz SMJFUHSWSVVKHB-UHFFFAOYSA-N 0 3 315.348 2.461 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)c1ccc(Cl)[nH]1 ZINC001664174683 1080871959 /nfs/dbraw/zinc/87/19/59/1080871959.db2.gz YIMYALILFPNCLB-UHFFFAOYSA-N 0 3 316.792 2.402 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1ccsc1C(F)(F)F ZINC001664332121 1080897469 /nfs/dbraw/zinc/89/74/69/1080897469.db2.gz RQZRWLANDHTNLZ-UHFFFAOYSA-N 0 3 304.337 2.452 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)c1cnc(C2CC2)o1 ZINC001268648559 1080916836 /nfs/dbraw/zinc/91/68/36/1080916836.db2.gz NBGXAYLHPBECEM-CQSZACIVSA-N 0 3 323.396 2.312 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cc2occc2[nH]1 ZINC001268731939 1080956973 /nfs/dbraw/zinc/95/69/73/1080956973.db2.gz DBJPVDSVVHOWMD-GFCCVEGCSA-N 0 3 305.378 2.014 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccc2c(c1)COC2 ZINC001268729080 1080957434 /nfs/dbraw/zinc/95/74/34/1080957434.db2.gz LPYNPSBJDYIEQT-HNNXBMFYSA-N 0 3 314.429 2.457 20 30 DEEDHN Cc1oncc1CN(C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001664807510 1080964227 /nfs/dbraw/zinc/96/42/27/1080964227.db2.gz ZWKXVRLVZZFUOK-HNNXBMFYSA-N 0 3 317.433 2.313 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccnc(C(F)(F)F)c1 ZINC001268754137 1080969544 /nfs/dbraw/zinc/96/95/44/1080969544.db2.gz VSXLIRCYQHXJHH-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc[nH]n1 ZINC001665379172 1081021157 /nfs/dbraw/zinc/02/11/57/1081021157.db2.gz NTWLUUHMCIBZLX-HOTGVXAUSA-N 0 3 304.438 2.208 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)C1(CC)CCOCC1 ZINC001268899938 1081036523 /nfs/dbraw/zinc/03/65/23/1081036523.db2.gz VDPOEEURYSLBHW-UHFFFAOYSA-N 0 3 302.846 2.384 20 30 DEEDHN CCC#CC(=O)N1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001268951295 1081055865 /nfs/dbraw/zinc/05/58/65/1081055865.db2.gz KXTRNKOPJTVZMJ-UHFFFAOYSA-N 0 3 314.433 2.028 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCOC1 ZINC001268970189 1081066484 /nfs/dbraw/zinc/06/64/84/1081066484.db2.gz ZZLCWKROYYWILV-PMPSAXMXSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001665714525 1081068620 /nfs/dbraw/zinc/06/86/20/1081068620.db2.gz CVPVEMASCKRBRX-SJLPKXTDSA-N 0 3 318.461 2.448 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)[C@H]2CCCO2)cc1 ZINC001666341330 1081146257 /nfs/dbraw/zinc/14/62/57/1081146257.db2.gz SUYMPVPGVVWBQW-MAUKXSAKSA-N 0 3 314.429 2.231 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@H](CC)C1 ZINC001269169072 1081148454 /nfs/dbraw/zinc/14/84/54/1081148454.db2.gz LNSVOSRVPTXYGZ-HUUCEWRRSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)COc1cc(C)ccc1F ZINC001269235389 1081177770 /nfs/dbraw/zinc/17/77/70/1081177770.db2.gz KIZTXLLRTMZOCG-AWEZNQCLSA-N 0 3 306.381 2.280 20 30 DEEDHN Cc1cc(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)no1 ZINC001666849037 1081185775 /nfs/dbraw/zinc/18/57/75/1081185775.db2.gz DFEMJEQHBZSTTM-AWEZNQCLSA-N 0 3 311.385 2.085 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C1(C)CCCCCC1 ZINC001666920810 1081194038 /nfs/dbraw/zinc/19/40/38/1081194038.db2.gz KJPBOCFXDUFZTJ-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@H](C)CNCc2cncs2)cc1 ZINC001666966977 1081197993 /nfs/dbraw/zinc/19/79/93/1081197993.db2.gz FYUFTMOKZOIUHK-CYBMUJFWSA-N 0 3 313.426 2.375 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CN(C)Cc2ccccc2)C1 ZINC001269302997 1081204372 /nfs/dbraw/zinc/20/43/72/1081204372.db2.gz XPQSGZZGIMLKTD-SFHVURJKSA-N 0 3 315.461 2.227 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2cccc(F)c2F)C1 ZINC001269345224 1081222419 /nfs/dbraw/zinc/22/24/19/1081222419.db2.gz LXJVDQGKFQONJH-HNNXBMFYSA-N 0 3 320.383 2.453 20 30 DEEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1cc(F)cc(F)c1 ZINC001269402479 1081240138 /nfs/dbraw/zinc/24/01/38/1081240138.db2.gz MHBPULXDTTYGAG-MRXNPFEDSA-N 0 3 306.356 2.363 20 30 DEEDHN CC(C)[C@@H](CNC(=O)C#CC1CC1)NCc1cccc(Cl)n1 ZINC001667459149 1081254205 /nfs/dbraw/zinc/25/42/05/1081254205.db2.gz PXQIJOXSUAQVQR-OAHLLOKOSA-N 0 3 319.836 2.379 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001667592204 1081266260 /nfs/dbraw/zinc/26/62/60/1081266260.db2.gz KKZXFDUBYMPFTE-UHFFFAOYSA-N 0 3 310.401 2.104 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@@H](C)CO2)CCCC1 ZINC001482225372 1081270192 /nfs/dbraw/zinc/27/01/92/1081270192.db2.gz SOXBZPNAJUYLPW-DGCLKSJQSA-N 0 3 300.830 2.183 20 30 DEEDHN CCCc1nc(C)c(CNCC[C@@H](C)NC(=O)[C@@H](C)C#N)o1 ZINC001668004401 1081303449 /nfs/dbraw/zinc/30/34/49/1081303449.db2.gz JMQPBZULPQAGLB-NWDGAFQWSA-N 0 3 306.410 2.080 20 30 DEEDHN Cc1oncc1CNC[C@@](C)(NC(=O)C#CC(C)(C)C)C1CC1 ZINC001269613520 1081307398 /nfs/dbraw/zinc/30/73/98/1081307398.db2.gz ARQGDTRHYJLLCS-GOSISDBHSA-N 0 3 317.433 2.407 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(CC#CC)C2 ZINC001269687821 1081335563 /nfs/dbraw/zinc/33/55/63/1081335563.db2.gz YOKLZQUTPMNADS-MJGOQNOKSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCNCCN(CC)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001668506852 1081361426 /nfs/dbraw/zinc/36/14/26/1081361426.db2.gz MHKGCYVLCQPCRL-SJORKVTESA-N 0 3 302.393 2.391 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](F)C1)CC2 ZINC001482244188 1081372870 /nfs/dbraw/zinc/37/28/70/1081372870.db2.gz YVILCMHZSARPOF-HOTGVXAUSA-N 0 3 324.440 2.252 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)C2 ZINC001111323851 1081406113 /nfs/dbraw/zinc/40/61/13/1081406113.db2.gz AHFAMWAGADFHEI-VQHPVUNQSA-N 0 3 318.461 2.327 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccc(F)c2ccncc12 ZINC001668995492 1081417232 /nfs/dbraw/zinc/41/72/32/1081417232.db2.gz OHXKRUFHNUDBJF-SNAWJCMRSA-N 0 3 311.360 2.273 20 30 DEEDHN O=C(Cc1ccoc1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270034073 1081433048 /nfs/dbraw/zinc/43/30/48/1081433048.db2.gz FWTMTLNNBRTHGS-LJQANCHMSA-N 0 3 322.408 2.454 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C(C)(F)F ZINC001669229068 1081439491 /nfs/dbraw/zinc/43/94/91/1081439491.db2.gz HBYYYMXZKQWJGX-LLVKDONJSA-N 0 3 314.763 2.441 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC001669256047 1081441687 /nfs/dbraw/zinc/44/16/87/1081441687.db2.gz UGLHAPWAPJAHBC-CABCVRRESA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN[C@H](C)C(=O)Nc1cccc(C)c1 ZINC001669256048 1081441696 /nfs/dbraw/zinc/44/16/96/1081441696.db2.gz UGLHAPWAPJAHBC-HUUCEWRRSA-N 0 3 317.433 2.383 20 30 DEEDHN CCCc1cc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)[nH]n1 ZINC001669368970 1081448095 /nfs/dbraw/zinc/44/80/95/1081448095.db2.gz SPBBGCFENZMWJF-OAHLLOKOSA-N 0 3 324.428 2.122 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC(C)(C)C ZINC001270113062 1081453143 /nfs/dbraw/zinc/45/31/43/1081453143.db2.gz NWFTZLYPTRDLNZ-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCC#CCOC)CCCCC1 ZINC001669750753 1081465660 /nfs/dbraw/zinc/46/56/60/1081465660.db2.gz PFMCSUAELSPZHH-INIZCTEOSA-N 0 3 306.450 2.257 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2csc(COC)n2)CC1 ZINC001006471004 1081482855 /nfs/dbraw/zinc/48/28/55/1081482855.db2.gz MODMLESXMVKZPE-UHFFFAOYSA-N 0 3 309.435 2.012 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C(C)(C)CCC)C2)CC1 ZINC001270272975 1081491064 /nfs/dbraw/zinc/49/10/64/1081491064.db2.gz ACGRHBCZHQWJDJ-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C(=O)c1occc1Cl)C1CCN(CCOC)CC1 ZINC001270338355 1081504666 /nfs/dbraw/zinc/50/46/66/1081504666.db2.gz CONNCZQEXXHAIA-UHFFFAOYSA-N 0 3 324.808 2.119 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)COc2ccc(C)cc2)CC1 ZINC001671436855 1081516345 /nfs/dbraw/zinc/51/63/45/1081516345.db2.gz FHVFMZFZRRAAGF-UHFFFAOYSA-N 0 3 314.429 2.368 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001671523867 1081520757 /nfs/dbraw/zinc/52/07/57/1081520757.db2.gz CZSVTEHPEMAVDB-QFBILLFUSA-N 0 3 323.440 2.462 20 30 DEEDHN C#CCN1CC[C@@H](N2CCN(C(=O)[C@](C)(CC)CCC)CC2)C1 ZINC001671603246 1081525473 /nfs/dbraw/zinc/52/54/73/1081525473.db2.gz NRGWHINFDVEUHG-IEBWSBKVSA-N 0 3 319.493 2.055 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001270500597 1081538296 /nfs/dbraw/zinc/53/82/96/1081538296.db2.gz ARAKXQMENSGCDJ-GRYCIOLGSA-N 0 3 303.328 2.021 20 30 DEEDHN C=C(C)CN1CCC(C)(CNC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001671858704 1081543700 /nfs/dbraw/zinc/54/37/00/1081543700.db2.gz VAJIMUIEXDECLX-UHFFFAOYSA-N 0 3 317.433 2.091 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccccc2O)C1 ZINC001671873579 1081544607 /nfs/dbraw/zinc/54/46/07/1081544607.db2.gz SCXLIGDBRHYSLV-SFHVURJKSA-N 0 3 300.402 2.247 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001671907028 1081549366 /nfs/dbraw/zinc/54/93/66/1081549366.db2.gz DOPPQRKFWMRSGC-FUHWJXTLSA-N 0 3 316.449 2.076 20 30 DEEDHN C=CCCC(=O)NC[C@@]1(O)CCN(CCCCC(F)(F)F)C1 ZINC001671982103 1081555826 /nfs/dbraw/zinc/55/58/26/1081555826.db2.gz LPVIRLVVBYTVHC-AWEZNQCLSA-N 0 3 322.371 2.238 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001672024230 1081558163 /nfs/dbraw/zinc/55/81/63/1081558163.db2.gz HXGGOQNENZMNER-QGZVFWFLSA-N 0 3 322.836 2.391 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001672035060 1081558434 /nfs/dbraw/zinc/55/84/34/1081558434.db2.gz SQOMBGAQPYWAFD-LPHOPBHVSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]([C@H](C)NCc2cnns2)C1 ZINC001672227749 1081569507 /nfs/dbraw/zinc/56/95/07/1081569507.db2.gz ILMFYEKYPCRJPM-QWHCGFSZSA-N 0 3 322.478 2.467 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C1CCCCCCC1 ZINC001482305026 1081572247 /nfs/dbraw/zinc/57/22/47/1081572247.db2.gz IWIXKWXXRTXBKJ-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001672266659 1081575019 /nfs/dbraw/zinc/57/50/19/1081575019.db2.gz IEJJQTOAWADLKF-WCCNQAHISA-N 0 3 321.248 2.192 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001672280107 1081577159 /nfs/dbraw/zinc/57/71/59/1081577159.db2.gz PRDWWFORGFUISH-GJZGRUSLSA-N 0 3 318.465 2.207 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCc3sccc3C)C[C@@H]2C1 ZINC001672442221 1081598455 /nfs/dbraw/zinc/59/84/55/1081598455.db2.gz BTIWMYLPKZDNFQ-IYBDPMFKSA-N 0 3 316.470 2.403 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](C)CNCc2cn(C)nc2C)CCC1 ZINC001482326271 1081715414 /nfs/dbraw/zinc/71/54/14/1081715414.db2.gz BEMDMADKELPBJW-CQSZACIVSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2cnc(C)nc2)C1 ZINC001482328711 1081723232 /nfs/dbraw/zinc/72/32/32/1081723232.db2.gz DVLCKEQVPBLAHH-ZDUSSCGKSA-N 0 3 302.422 2.078 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC[C@@H](C)OC)cc1 ZINC001672937128 1081724155 /nfs/dbraw/zinc/72/41/55/1081724155.db2.gz HPJYNSHGZUFJKQ-HUUCEWRRSA-N 0 3 302.418 2.402 20 30 DEEDHN C#CCNC1(CNC(=O)C/C=C/c2ccc(F)cc2)CCC1 ZINC001673181070 1081744660 /nfs/dbraw/zinc/74/46/60/1081744660.db2.gz UWABKSTXRAIGBQ-HWKANZROSA-N 0 3 300.377 2.491 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C(C)(C)C2CCCCC2)CCO1 ZINC001673321712 1081755262 /nfs/dbraw/zinc/75/52/62/1081755262.db2.gz FBHWZKXRXPLGJC-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N2CCN(CCC)CC2)C1 ZINC001673352817 1081757195 /nfs/dbraw/zinc/75/71/95/1081757195.db2.gz TZKLSLMIFISLQM-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)COc1ccc(F)cc1F ZINC001673438856 1081770918 /nfs/dbraw/zinc/77/09/18/1081770918.db2.gz CGKCUXWDXXJGJQ-UHFFFAOYSA-N 0 3 324.371 2.147 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1ccc2cnccc2c1 ZINC001673455150 1081771278 /nfs/dbraw/zinc/77/12/78/1081771278.db2.gz QVXIYQCKJHNIJI-UHFFFAOYSA-N 0 3 309.413 2.191 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCOC)C1 ZINC001673496588 1081776355 /nfs/dbraw/zinc/77/63/55/1081776355.db2.gz OTVYZYQTOXOXAB-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C(CCC)CCC)C1 ZINC001673689692 1081792426 /nfs/dbraw/zinc/79/24/26/1081792426.db2.gz SZJICZISABNZIB-SFHVURJKSA-N 0 3 308.466 2.169 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001270892597 1081814114 /nfs/dbraw/zinc/81/41/14/1081814114.db2.gz MZZDMZVYOFPLSS-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)OCC(C)C)C(C)(C)C1 ZINC001674008039 1081824459 /nfs/dbraw/zinc/82/44/59/1081824459.db2.gz YDSHDHWYXSLZOY-HOTGVXAUSA-N 0 3 308.466 2.288 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)(C)C=C)CCO2 ZINC001674275861 1081856672 /nfs/dbraw/zinc/85/66/72/1081856672.db2.gz JHQRGNMHABMBLT-UHFFFAOYSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCCC(=O)NC1(CO)CCN(Cc2ccccc2)CC1 ZINC001674319392 1081859392 /nfs/dbraw/zinc/85/93/92/1081859392.db2.gz KVJBBFCNLWEMEL-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCc2cccnc2)C1 ZINC001270975525 1081861872 /nfs/dbraw/zinc/86/18/72/1081861872.db2.gz ZHHNMTFWOCIAKJ-LJQANCHMSA-N 0 3 313.445 2.256 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)COC ZINC001674429296 1081870205 /nfs/dbraw/zinc/87/02/05/1081870205.db2.gz DFEBGVRZGMALNW-FDQGKXFDSA-N 0 3 302.418 2.217 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cn(CC)nc2C)C1 ZINC001270999530 1081870814 /nfs/dbraw/zinc/87/08/14/1081870814.db2.gz QHWZGWYGTUMQTO-GOSISDBHSA-N 0 3 316.449 2.067 20 30 DEEDHN Cc1csc(CNCC2CC(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001674541966 1081888804 /nfs/dbraw/zinc/88/88/04/1081888804.db2.gz KVAHDCPDVNPEHS-UHFFFAOYSA-N 0 3 319.474 2.485 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccccn1 ZINC001674617498 1081895551 /nfs/dbraw/zinc/89/55/51/1081895551.db2.gz 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C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)[nH]1 ZINC001266481397 1082066041 /nfs/dbraw/zinc/06/60/41/1082066041.db2.gz QOICIUUGDINXTL-OKILXGFUSA-N 0 3 301.390 2.042 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCc2ccc(Cl)cc2)C1 ZINC001266522901 1082105864 /nfs/dbraw/zinc/10/58/64/1082105864.db2.gz BTAKQOSUUAOJSL-HNNXBMFYSA-N 0 3 304.821 2.344 20 30 DEEDHN C#CCCCC(=O)NC[C@H](N[C@@H](C)c1cnc(C)cn1)C(C)C ZINC001482525278 1082152506 /nfs/dbraw/zinc/15/25/06/1082152506.db2.gz FKLBJMGESMUGHI-HOTGVXAUSA-N 0 3 316.449 2.380 20 30 DEEDHN COCC#CCNCCN(Cc1ccccc1)C(=O)C1(C)CC1 ZINC001271806289 1082159696 /nfs/dbraw/zinc/15/96/96/1082159696.db2.gz LHKGSPFKSWPKTQ-UHFFFAOYSA-N 0 3 314.429 2.055 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc2n1CCCCC2 ZINC001266564864 1082161693 /nfs/dbraw/zinc/16/16/93/1082161693.db2.gz DGNZGPVTLBQRGP-UHFFFAOYSA-N 0 3 316.449 2.075 20 30 DEEDHN Cc1ccoc1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001266576763 1082170899 /nfs/dbraw/zinc/17/08/99/1082170899.db2.gz WMOXMHRQKLLVEJ-QAQDUYKDSA-N 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/nfs/dbraw/zinc/33/08/02/1082330802.db2.gz CXVFVCNWGWZTHT-MRXNPFEDSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN(C)Cc1ccc(C)cc1C ZINC001482596101 1082339548 /nfs/dbraw/zinc/33/95/48/1082339548.db2.gz GOHCLNXNRZSZFH-QGZVFWFLSA-N 0 3 316.445 2.232 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCC(=O)NC1CCCCC1 ZINC001266828021 1082375288 /nfs/dbraw/zinc/37/52/88/1082375288.db2.gz JVWBTNSFYHSKPD-SFHVURJKSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001266837768 1082382778 /nfs/dbraw/zinc/38/27/78/1082382778.db2.gz WKYQQJLBUBLIID-OAHLLOKOSA-N 0 3 321.396 2.008 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CNCc1ncccc1C ZINC001266864970 1082410433 /nfs/dbraw/zinc/41/04/33/1082410433.db2.gz NYJVYDWQLYOHAO-MRXNPFEDSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC001482631783 1082423673 /nfs/dbraw/zinc/42/36/73/1082423673.db2.gz GWPWIMOPOGIJHJ-UHFFFAOYSA-N 0 3 308.809 2.376 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001266876593 1082425086 /nfs/dbraw/zinc/42/50/86/1082425086.db2.gz CHYOQZBRKSCUIR-AWEZNQCLSA-N 0 3 319.453 2.186 20 30 DEEDHN C#CCC1(C(=O)N(C)CCN(C)[C@@H](C)COC)CCCCC1 ZINC001482652752 1082433725 /nfs/dbraw/zinc/43/37/25/1082433725.db2.gz CODJHPLMGPXXBF-INIZCTEOSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(C)CCC(=O)NCCN(CC)C(=O)[C@H]1CCCCN1CC ZINC001496777730 1082501796 /nfs/dbraw/zinc/50/17/96/1082501796.db2.gz DWXAUOVAPCIDKL-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CCC(=O)NCCN(CC)C(=O)[C@@H]1CCCCN1CC ZINC001496777703 1082502209 /nfs/dbraw/zinc/50/22/09/1082502209.db2.gz DWXAUOVAPCIDKL-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1cc2n(n1)CCC2 ZINC001482861257 1082532077 /nfs/dbraw/zinc/53/20/77/1082532077.db2.gz UKNVBYWYYOFCEF-ZDUSSCGKSA-N 0 3 304.438 2.026 20 30 DEEDHN CCCC#CC(=O)N1CCC[C@]2(C1)CN(C1CCCC1)CCO2 ZINC001272112110 1082587290 /nfs/dbraw/zinc/58/72/90/1082587290.db2.gz MQMLEMOVALUOML-LJQANCHMSA-N 0 3 318.461 2.426 20 30 DEEDHN C=CCC1(C(=O)N(CC)CCNCC#CCOC)CCCC1 ZINC001482971920 1082587583 /nfs/dbraw/zinc/58/75/83/1082587583.db2.gz IUNDGYJULIXXAL-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001272145065 1082604089 /nfs/dbraw/zinc/60/40/89/1082604089.db2.gz HODMZZOAMIVDJP-AWEZNQCLSA-N 0 3 305.422 2.449 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1ccsc1C(F)(F)F ZINC001483086117 1082698789 /nfs/dbraw/zinc/69/87/89/1082698789.db2.gz DHACKMNEYDSZSA-ARJAWSKDSA-N 0 3 302.321 2.276 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001483093819 1082703246 /nfs/dbraw/zinc/70/32/46/1082703246.db2.gz URQFDYNOMGAWRY-WAYWQWQTSA-N 0 3 311.385 2.075 20 30 DEEDHN Cc1ocnc1C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001409304324 1082755331 /nfs/dbraw/zinc/75/53/31/1082755331.db2.gz MEHVGQVFQFNDPV-VHSXEESVSA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@H](CNC(=O)C[C@H]1CCCO1)N(C)Cc1ccc(C#N)cc1 ZINC001409504807 1082926464 /nfs/dbraw/zinc/92/64/64/1082926464.db2.gz ABEZWQPMMLKAFE-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@H](CNC(=O)C1=COCCC1)N(C)Cc1cccc(C#N)c1 ZINC001409548813 1082948209 /nfs/dbraw/zinc/94/82/09/1082948209.db2.gz WZLIDJIQTRRIFT-CQSZACIVSA-N 0 3 313.401 2.189 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CCC1(F)F ZINC001483239028 1083036947 /nfs/dbraw/zinc/03/69/47/1083036947.db2.gz YENPIIQNRGYCIR-JOYOIKCWSA-N 0 3 313.373 2.259 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1cccc(C)c1 ZINC001483330329 1083107742 /nfs/dbraw/zinc/10/77/42/1083107742.db2.gz BTGFRMGSPOSJBW-CRAIPNDOSA-N 0 3 304.434 2.259 20 30 DEEDHN C[C@H](CN(C)C[C@H]1CC(C)(C)CO1)NC(=O)C#CC(C)(C)C ZINC001483336457 1083113365 /nfs/dbraw/zinc/11/33/65/1083113365.db2.gz OAQLQKRZALQSHG-HUUCEWRRSA-N 0 3 308.466 2.288 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCCOC ZINC001152071633 1083396748 /nfs/dbraw/zinc/39/67/48/1083396748.db2.gz GRXADBXGLDMOFZ-OAHLLOKOSA-N 0 3 317.433 2.311 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@H](C)C1CN(CCOC)C1)c1ccccc1 ZINC001276462183 1083451358 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CCc1onc(C)c1CNCCC[C@H](C)NC(=O)[C@H](C)C#N ZINC001277148786 1083808338 /nfs/dbraw/zinc/80/83/38/1083808338.db2.gz VMZHQQQOBRCDCX-NEPJUHHUSA-N 0 3 306.410 2.080 20 30 DEEDHN C#CCCCCC(=O)NC[C@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001107880649 1083814830 /nfs/dbraw/zinc/81/48/30/1083814830.db2.gz PUNNVJCUHYYLJQ-FUHWJXTLSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1CCn2cncc2C1 ZINC001277227020 1083856690 /nfs/dbraw/zinc/85/66/90/1083856690.db2.gz DRAHFOYQJKJPGP-KBPBESRZSA-N 0 3 324.856 2.073 20 30 DEEDHN CC(C)C#CC(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001107926455 1083901686 /nfs/dbraw/zinc/90/16/86/1083901686.db2.gz HVYGOVYKYHJCIF-GOSISDBHSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCC)OC ZINC001277352080 1083922052 /nfs/dbraw/zinc/92/20/52/1083922052.db2.gz QOYANSCMABSKCX-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H](N[C@@H](C)c3n[nH]c(C)n3)C2)CCC1 ZINC001490926956 1083956574 /nfs/dbraw/zinc/95/65/74/1083956574.db2.gz UBQACZWJQAOTFS-UBHSHLNASA-N 0 3 317.437 2.157 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(CC)n(C)n2)CC1 ZINC001168556578 1083964411 /nfs/dbraw/zinc/96/44/11/1083964411.db2.gz CBNPZIYTDDNIIO-UHFFFAOYSA-N 0 3 324.856 2.225 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCCOC)C1 ZINC001490987667 1083989725 /nfs/dbraw/zinc/98/97/25/1083989725.db2.gz WGOHSEADPZWMFX-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCC2)C1 ZINC001490987691 1083990572 /nfs/dbraw/zinc/99/05/72/1083990572.db2.gz WMOALRXAEXUHOT-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC2(C1)CCN(CC#CC)CC2 ZINC001277483112 1083996610 /nfs/dbraw/zinc/99/66/10/1083996610.db2.gz SLGUQAZAKHMERS-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C/C=C(\C)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001491009346 1084004648 /nfs/dbraw/zinc/00/46/48/1084004648.db2.gz DRXMNZCVYCQPHF-SZPPYKDFSA-N 0 3 301.365 2.400 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCOc2ccccc2C)C1 ZINC001491130438 1084096796 /nfs/dbraw/zinc/09/67/96/1084096796.db2.gz NBDSXKWLHJEVOX-KRWDZBQOSA-N 0 3 314.429 2.225 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccn(C)n2)C[C@H]1C ZINC001277740666 1084122584 /nfs/dbraw/zinc/12/25/84/1084122584.db2.gz RUNFNNAYMWTHNS-HUUCEWRRSA-N 0 3 318.465 2.492 20 30 DEEDHN C[C@H]1C[C@@H](NCc2cnns2)CCN1C(=O)C#CC(C)(C)C ZINC001277739332 1084122900 /nfs/dbraw/zinc/12/29/00/1084122900.db2.gz HJHYQNFULAHQCN-STQMWFEESA-N 0 3 320.462 2.057 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3cccc(=O)[nH]3)CC2)C1=O ZINC001272807819 1084137660 /nfs/dbraw/zinc/13/76/60/1084137660.db2.gz BPJDEEPDZZMEBF-UHFFFAOYSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C[C@H]1CCCCO1 ZINC001491198743 1084145529 /nfs/dbraw/zinc/14/55/29/1084145529.db2.gz KYGDDJXRXAGBDQ-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1c(C)nsc1C ZINC001277800625 1084154846 /nfs/dbraw/zinc/15/48/46/1084154846.db2.gz NCGVQIJECRYMGM-LBPRGKRZSA-N 0 3 307.463 2.500 20 30 DEEDHN C#CCCCC(=O)N1CC[C@](C)(CNCc2ocnc2C)C1 ZINC001671731337 1084158836 /nfs/dbraw/zinc/15/88/36/1084158836.db2.gz XXLRMSWKRNWHOD-QGZVFWFLSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001491279738 1084203040 /nfs/dbraw/zinc/20/30/40/1084203040.db2.gz FSKVKYJELOAYKA-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCC2CCOCC2)C1 ZINC001491284361 1084207932 /nfs/dbraw/zinc/20/79/32/1084207932.db2.gz BURIFMISBWTPHM-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)CCc1cccc(C)c1 ZINC001277893244 1084211649 /nfs/dbraw/zinc/21/16/49/1084211649.db2.gz IFVARIYBBKHMOI-KRWDZBQOSA-N 0 3 316.445 2.014 20 30 DEEDHN C#CCCCCC(=O)NC1CCC(NCc2ccn(C)n2)CC1 ZINC001491347425 1084248735 /nfs/dbraw/zinc/24/87/35/1084248735.db2.gz IPLYKZDVALPECF-UHFFFAOYSA-N 0 3 316.449 2.131 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001077846353 1084281796 /nfs/dbraw/zinc/28/17/96/1084281796.db2.gz MLXQDAJSWHYRHA-TZMCWYRMSA-N 0 3 323.462 2.008 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCOc1ccc(C)c(C)c1 ZINC001491475610 1084336995 /nfs/dbraw/zinc/33/69/95/1084336995.db2.gz YZYWMXJVKRPKDV-MRXNPFEDSA-N 0 3 302.418 2.190 20 30 DEEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC)CCOCC1 ZINC001235209106 1084344422 /nfs/dbraw/zinc/34/44/22/1084344422.db2.gz JCPJZEBBYRQJOV-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)/C(C)=C/C)C2)n1 ZINC001128102806 1084350891 /nfs/dbraw/zinc/35/08/91/1084350891.db2.gz VLLLUHKANRQRQQ-HQYNXSMWSA-N 0 3 314.433 2.018 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001077925521 1084353093 /nfs/dbraw/zinc/35/30/93/1084353093.db2.gz DDGDSFXGINLNJP-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCN(C)Cc1cncc(C)c1 ZINC001235242977 1084356428 /nfs/dbraw/zinc/35/64/28/1084356428.db2.gz CDBMWYBYHDIEQH-INIZCTEOSA-N 0 3 319.449 2.309 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC2(CCOCC2)C1 ZINC001089950794 1084357441 /nfs/dbraw/zinc/35/74/41/1084357441.db2.gz BLYLSCZTMCTCPB-JYJNAYRXSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001272853506 1084380004 /nfs/dbraw/zinc/38/00/04/1084380004.db2.gz HLDJEEINOAZAQM-GFCCVEGCSA-N 0 3 312.845 2.164 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3cc(C)cs3)C2)OCC1=O ZINC001272872350 1084402423 /nfs/dbraw/zinc/40/24/23/1084402423.db2.gz MJJISRQVALLAPP-MRXNPFEDSA-N 0 3 306.431 2.046 20 30 DEEDHN CC(=O)Nc1ccc(CN2C[C@H]3C[C@@H](C2)N(CCC#N)C3)cc1 ZINC001277939554 1084405680 /nfs/dbraw/zinc/40/56/80/1084405680.db2.gz XAXMVICOZXJNNG-AEFFLSMTSA-N 0 3 312.417 2.065 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1ccnc(OC)c1 ZINC001491547510 1084408962 /nfs/dbraw/zinc/40/89/62/1084408962.db2.gz KVYLBSJVIAYLFA-CYBMUJFWSA-N 0 3 305.422 2.287 20 30 DEEDHN N#CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]cnc21 ZINC001277942795 1084418590 /nfs/dbraw/zinc/41/85/90/1084418590.db2.gz DQYNJPFCJYHBQS-OKILXGFUSA-N 0 3 323.400 2.155 20 30 DEEDHN N#CCc1ccccc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001235527704 1084456733 /nfs/dbraw/zinc/45/67/33/1084456733.db2.gz LCVQQCNYPNZJKG-INIZCTEOSA-N 0 3 312.348 2.335 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1cccc2c1CCN(C[C@H](C)O)C2 ZINC001272917347 1084470811 /nfs/dbraw/zinc/47/08/11/1084470811.db2.gz UNMLDQRJKUQENM-AWEZNQCLSA-N 0 3 316.445 2.254 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC001272918292 1084476215 /nfs/dbraw/zinc/47/62/15/1084476215.db2.gz GOQSKFCATOUQCF-UHFFFAOYSA-N 0 3 312.413 2.143 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001280476413 1084532772 /nfs/dbraw/zinc/53/27/72/1084532772.db2.gz SMHHFYIQRALNGR-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN N#Cc1ccc(C[N@@H+]2CCNC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001235857360 1084550756 /nfs/dbraw/zinc/55/07/56/1084550756.db2.gz VWLDUWPFGYBNBV-SFHVURJKSA-N 0 3 307.397 2.280 20 30 DEEDHN N#Cc1ccc(C[N@H+]2CCNC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001235857360 1084550765 /nfs/dbraw/zinc/55/07/65/1084550765.db2.gz VWLDUWPFGYBNBV-SFHVURJKSA-N 0 3 307.397 2.280 20 30 DEEDHN N#Cc1ccc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001235857360 1084550774 /nfs/dbraw/zinc/55/07/74/1084550774.db2.gz VWLDUWPFGYBNBV-SFHVURJKSA-N 0 3 307.397 2.280 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001083798231 1084599869 /nfs/dbraw/zinc/59/98/69/1084599869.db2.gz QQYSKMSUQBVBTG-KGLIPLIRSA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001078226337 1084609517 /nfs/dbraw/zinc/60/95/17/1084609517.db2.gz WOJLGTROZJPUSD-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(F)c1OCC ZINC001277978631 1084611774 /nfs/dbraw/zinc/61/17/74/1084611774.db2.gz LSPGMIPTUBWLJD-CYBMUJFWSA-N 0 3 306.381 2.298 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3sccc3C)C2)OCC1=O ZINC001272932029 1084853350 /nfs/dbraw/zinc/85/33/50/1084853350.db2.gz ISYUNLFRECTACA-MRXNPFEDSA-N 0 3 306.431 2.046 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(Cc3sccc3C)C2)OCC1=O ZINC001272935075 1084900859 /nfs/dbraw/zinc/90/08/59/1084900859.db2.gz YGJXZLZZIJLJNM-QGZVFWFLSA-N 0 3 320.458 2.436 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)C(C)(C)F)cc1C#N ZINC001485840056 1084943646 /nfs/dbraw/zinc/94/36/46/1084943646.db2.gz MAZHYOSKAZFKAN-LBPRGKRZSA-N 0 3 321.396 2.251 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccn(C2CCCC2)n1 ZINC001485880373 1084952157 /nfs/dbraw/zinc/95/21/57/1084952157.db2.gz NAODZDMZWCLRSC-AWEZNQCLSA-N 0 3 302.422 2.072 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001485951119 1084997839 /nfs/dbraw/zinc/99/78/39/1084997839.db2.gz GWIUMQJHRGHNNJ-MRXNPFEDSA-N 0 3 302.418 2.003 20 30 DEEDHN Cc1ocnc1C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001486108500 1085069256 /nfs/dbraw/zinc/06/92/56/1085069256.db2.gz TVYLMWCTJVZQNK-PBHICJAKSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2cc[nH]c2C)[C@@H]1C ZINC001486169232 1085102478 /nfs/dbraw/zinc/10/24/78/1085102478.db2.gz GGSZJYUSXZIJQL-HOCLYGCPSA-N 0 3 305.422 2.108 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1-c1ccccc1 ZINC000960186384 1085141477 /nfs/dbraw/zinc/14/14/77/1085141477.db2.gz UZNCSAWVEJRSAJ-FICVDOATSA-N 0 3 309.369 2.188 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc(C)cn1 ZINC000960246553 1085162592 /nfs/dbraw/zinc/16/25/92/1085162592.db2.gz NCGATCUYIUTZLN-SJLPKXTDSA-N 0 3 322.412 2.347 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc(C)[nH]1 ZINC000960251499 1085164723 /nfs/dbraw/zinc/16/47/23/1085164723.db2.gz AUMXXBXADHOZJF-NVXWUHKLSA-N 0 3 310.401 2.280 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC000960252314 1085165161 /nfs/dbraw/zinc/16/51/61/1085165161.db2.gz JZICWAHMRKORCH-KBAYOESNSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccnc1OC ZINC000960302816 1085188072 /nfs/dbraw/zinc/18/80/72/1085188072.db2.gz NAECGPZENJAEQF-IAGOWNOFSA-N 0 3 323.396 2.262 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(CC)nn1C ZINC000960315805 1085192684 /nfs/dbraw/zinc/19/26/84/1085192684.db2.gz XCQCROSBYNQFAF-SJLPKXTDSA-N 0 3 324.428 2.154 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC000960320241 1085195510 /nfs/dbraw/zinc/19/55/10/1085195510.db2.gz IISGZYYRGVZTBD-LMMKCTJWSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001486341072 1085210421 /nfs/dbraw/zinc/21/04/21/1085210421.db2.gz OPWLUFFIUAZSAB-AEFFLSMTSA-N 0 3 316.445 2.044 20 30 DEEDHN CC(C)C#CC(=O)N(CCN(C)C[C@@H]1CCCCO1)C(C)C ZINC001486368540 1085238695 /nfs/dbraw/zinc/23/86/95/1085238695.db2.gz RQKGAQLMXJSSOX-KRWDZBQOSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@@H](C)c1c(C)n[nH]c1C)C(C)C ZINC001486376404 1085249149 /nfs/dbraw/zinc/24/91/49/1085249149.db2.gz CLYLWWQOAFJDMR-ZDUSSCGKSA-N 0 3 306.454 2.485 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)CC2(C)CC2)CC1 ZINC001486447218 1085318579 /nfs/dbraw/zinc/31/85/79/1085318579.db2.gz SWTFAGKOMMFJTR-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000960565332 1085364265 /nfs/dbraw/zinc/36/42/65/1085364265.db2.gz GEHFOFXXJIYBCI-RGDJUOJXSA-N 0 3 314.351 2.364 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C[C@H](OCC)C(C)C)CC2)CC1 ZINC001486488164 1085376867 /nfs/dbraw/zinc/37/68/67/1085376867.db2.gz BXQRWRGLHHOQMX-KRWDZBQOSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3ccc(O)cc3)CC2)C1=O ZINC001272952477 1085525243 /nfs/dbraw/zinc/52/52/43/1085525243.db2.gz INUHGBKOPVQWDO-UHFFFAOYSA-N 0 3 300.402 2.393 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2ccccc2c1C ZINC000961221779 1085641586 /nfs/dbraw/zinc/64/15/86/1085641586.db2.gz ASCQAMLTSKVVGL-VQFNDLOPSA-N 0 3 307.397 2.389 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@H]1CCCN(CC(C)(C)C)C1=O ZINC001128409058 1085769716 /nfs/dbraw/zinc/76/97/16/1085769716.db2.gz RDEJSAYGMKWMGP-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001078872627 1085841834 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C=C(C)CN1CC2(CCC1=O)CCN(Cc1cnc[nH]1)CC2 ZINC001273023775 1086002666 /nfs/dbraw/zinc/00/26/66/1086002666.db2.gz PSZOWYWKODCIJG-UHFFFAOYSA-N 0 3 302.422 2.190 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(OC(C)C)nc2)CCC1 ZINC001273090359 1086165039 /nfs/dbraw/zinc/16/50/39/1086165039.db2.gz DTXBCVWFJKTSKY-UHFFFAOYSA-N 0 3 315.417 2.134 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccncc1)C2 ZINC000963495755 1086477953 /nfs/dbraw/zinc/47/79/53/1086477953.db2.gz CHUBJGGEDCJELS-UHFFFAOYSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCCOC1)C2 ZINC000963617423 1086513530 /nfs/dbraw/zinc/51/35/30/1086513530.db2.gz DDIVSCAMCXGFOW-BHTBLZRRSA-N 0 3 312.841 2.183 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001062058159 1086730844 /nfs/dbraw/zinc/73/08/44/1086730844.db2.gz LNWPDBGLIJQHST-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(Cl)c2C)[C@H](O)C1 ZINC001090284176 1087211544 /nfs/dbraw/zinc/21/15/44/1087211544.db2.gz 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CC#CCNC[C@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)CCO1 ZINC001273343617 1091070208 /nfs/dbraw/zinc/07/02/08/1091070208.db2.gz YEXXRBSMPCNXSO-IRXDYDNUSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001273376026 1091110609 /nfs/dbraw/zinc/11/06/09/1091110609.db2.gz URWIZJCXBNSGNG-IAGOWNOFSA-N 0 3 319.493 2.217 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](N2CCN(CCCC)CC2)C1 ZINC001273376078 1091111259 /nfs/dbraw/zinc/11/12/59/1091111259.db2.gz VAOWMBUBNVUPRT-GOSISDBHSA-N 0 3 319.493 2.199 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2ccncc2)C(C)(C)C1 ZINC001274435539 1091239538 /nfs/dbraw/zinc/23/95/38/1091239538.db2.gz KGPBEHPTXYLJSW-QGZVFWFLSA-N 0 3 313.445 2.254 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001274483840 1091266070 /nfs/dbraw/zinc/26/60/70/1091266070.db2.gz WOWBYEDKBXMCRD-MRXNPFEDSA-N 0 3 324.428 2.467 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc(NC(=O)CC)c1 ZINC001273413063 1091276299 /nfs/dbraw/zinc/27/62/99/1091276299.db2.gz QQZOSLSNMBCFDQ-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(F)c(C)c(F)c3)C2)C1=O ZINC001274557231 1091298620 /nfs/dbraw/zinc/29/86/20/1091298620.db2.gz LXSOMHQROVXFEK-SFHVURJKSA-N 0 3 318.367 2.331 20 30 DEEDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274578924 1091309222 /nfs/dbraw/zinc/30/92/22/1091309222.db2.gz ALKVBGTXYIOHSA-KDOFPFPSSA-N 0 3 312.417 2.176 20 30 DEEDHN C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(CC)cc3[O-])C2)C1=O ZINC001274654560 1091354840 /nfs/dbraw/zinc/35/48/40/1091354840.db2.gz ROSZLGNACGJGMS-LJQANCHMSA-N 0 3 312.413 2.012 20 30 DEEDHN C#CCN1CC[C@@]2(CC[N@H+](Cc3ccc(CC)cc3[O-])C2)C1=O ZINC001274654560 1091354851 /nfs/dbraw/zinc/35/48/51/1091354851.db2.gz ROSZLGNACGJGMS-LJQANCHMSA-N 0 3 312.413 2.012 20 30 DEEDHN C[C@H](CNCC#Cc1cccc(Cl)c1)NC(=O)c1ccc[nH]1 ZINC001274671768 1091362772 /nfs/dbraw/zinc/36/27/72/1091362772.db2.gz XTAWMPZULWBSLK-CYBMUJFWSA-N 0 3 315.804 2.428 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccc(C2CCC2)cc1 ZINC001274780692 1091411115 /nfs/dbraw/zinc/41/11/15/1091411115.db2.gz GNOOLHWKNVPDQA-OAHLLOKOSA-N 0 3 314.429 2.312 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001411228831 1091443050 /nfs/dbraw/zinc/44/30/50/1091443050.db2.gz DFUFZLYAKGNVML-GJZGRUSLSA-N 0 3 324.428 2.435 20 30 DEEDHN CN1CCO[C@]2(CCCN(CCCc3ccc(C#N)cc3)C2)C1 ZINC001274891964 1091464948 /nfs/dbraw/zinc/46/49/48/1091464948.db2.gz JDQAZUJQPBLYDY-LJQANCHMSA-N 0 3 313.445 2.287 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)Cc1ccoc1 ZINC001275128172 1091573798 /nfs/dbraw/zinc/57/37/98/1091573798.db2.gz MDMUFCRHFMGFNQ-AWEZNQCLSA-N 0 3 314.360 2.107 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1ccc(OC)nc1 ZINC001275297355 1091656830 /nfs/dbraw/zinc/65/68/30/1091656830.db2.gz JAWFADUBPCZOKW-SUMWQHHRSA-N 0 3 305.422 2.287 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2nonc2c1 ZINC001276203237 1091684416 /nfs/dbraw/zinc/68/44/16/1091684416.db2.gz ORTCXOLPRVUART-UHFFFAOYSA-N 0 3 308.769 2.027 20 30 DEEDHN N#CCCCN1CC[C@@]2(CCCN2C[C@H]2CCC=CO2)C1=O ZINC001273443555 1091699374 /nfs/dbraw/zinc/69/93/74/1091699374.db2.gz MNRUJZPPQDNRTC-WBVHZDCISA-N 0 3 303.406 2.050 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1c(C)noc1C ZINC001671289342 1091723308 /nfs/dbraw/zinc/72/33/08/1091723308.db2.gz HCZKQPAVMBIASX-HNNXBMFYSA-N 0 3 303.406 2.176 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2C[C@@H](C)C(F)(F)F ZINC001273444551 1091766914 /nfs/dbraw/zinc/76/69/14/1091766914.db2.gz AJOANKLIDFRXJH-OCCSQVGLSA-N 0 3 302.340 2.275 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2cnc(C)nc2)C1 ZINC001275490012 1091799101 /nfs/dbraw/zinc/79/91/01/1091799101.db2.gz AZPWIMQXTQVHBL-STQMWFEESA-N 0 3 302.422 2.124 20 30 DEEDHN N#CCc1ccc(C(=O)N2CC3(C2)CN(C2CCCC2)C3)cc1 ZINC001275540329 1091840413 /nfs/dbraw/zinc/84/04/13/1091840413.db2.gz KOVNUHVLWXACMB-UHFFFAOYSA-N 0 3 309.413 2.453 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC)CCCCC1 ZINC001275570034 1091873613 /nfs/dbraw/zinc/87/36/13/1091873613.db2.gz BFCWXTUGBPEOBV-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001273531332 1091904982 /nfs/dbraw/zinc/90/49/82/1091904982.db2.gz ZBJCCZNBWWTPPP-AWEZNQCLSA-N 0 3 318.465 2.324 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)[C@H]2CCCN(CC#CC)CC2)c1 ZINC000948761206 1091919879 /nfs/dbraw/zinc/91/98/79/1091919879.db2.gz AIGGNTJXZQGOAP-SFHVURJKSA-N 0 3 309.413 2.013 20 30 DEEDHN CNC(=O)[C@@H]1CC12CCN(Cc1cc3ccc(C#N)cc3[nH]1)CC2 ZINC001273557345 1091922526 /nfs/dbraw/zinc/92/25/26/1091922526.db2.gz RSAIDTNZKGOYCA-INIZCTEOSA-N 0 3 322.412 2.388 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ncccc1C(F)(F)F ZINC001273577859 1091932946 /nfs/dbraw/zinc/93/29/46/1091932946.db2.gz GNAMSSOSALIOPF-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001273583971 1091936639 /nfs/dbraw/zinc/93/66/39/1091936639.db2.gz HZCYRJFYVPEAHS-MRXNPFEDSA-N 0 3 302.418 2.176 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)COCCC)C1 ZINC001273598948 1091945404 /nfs/dbraw/zinc/94/54/04/1091945404.db2.gz KZXQJVAQDOFVEP-IRXDYDNUSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccnc1C(F)(F)F ZINC001273628796 1091961703 /nfs/dbraw/zinc/96/17/03/1091961703.db2.gz PGMCOAATWPGESP-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001273701967 1092003262 /nfs/dbraw/zinc/00/32/62/1092003262.db2.gz HCYPUTUUAMPDGM-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1cc(C)n(CC2CC2)c1C ZINC001273710343 1092006896 /nfs/dbraw/zinc/00/68/96/1092006896.db2.gz RMLAAUGXANWGNT-UHFFFAOYSA-N 0 3 301.434 2.200 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(OCC=C)c1 ZINC001273779616 1092045241 /nfs/dbraw/zinc/04/52/41/1092045241.db2.gz DZWFWYHTIYMFFN-RTBURBONSA-N 0 3 324.424 2.450 20 30 DEEDHN C=C(C)CN1CC[C@]2(CC[N@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001273801234 1092069871 /nfs/dbraw/zinc/06/98/71/1092069871.db2.gz GZGIBWBGPLHQGO-SFHVURJKSA-N 0 3 315.417 2.096 20 30 DEEDHN C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3nc(C)ccc3[O-])C2)C1=O ZINC001273801234 1092069883 /nfs/dbraw/zinc/06/98/83/1092069883.db2.gz GZGIBWBGPLHQGO-SFHVURJKSA-N 0 3 315.417 2.096 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@H](C)C1)CCO2 ZINC000949205641 1092071073 /nfs/dbraw/zinc/07/10/73/1092071073.db2.gz ZJSYHKOBXLFGQT-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC3(CC2)CN(CC2CC2)CCO3)C1 ZINC000949468441 1092159711 /nfs/dbraw/zinc/15/97/11/1092159711.db2.gz FKDRUMSKLYXWLA-UHFFFAOYSA-N 0 3 318.461 2.446 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC001490848650 1092166266 /nfs/dbraw/zinc/16/62/66/1092166266.db2.gz RMUMFHLUNQOWDB-HNNXBMFYSA-N 0 3 318.417 2.165 20 30 DEEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)CCOCC1CCC1 ZINC001275827233 1092187977 /nfs/dbraw/zinc/18/79/77/1092187977.db2.gz GYFPDYMNABKMNX-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CN(C)C(=O)CN(C)CCC)CC1 ZINC001487856623 1092258770 /nfs/dbraw/zinc/25/87/70/1092258770.db2.gz WIZWIIBUSQUEEP-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)SC)C2 ZINC001273833860 1092287647 /nfs/dbraw/zinc/28/76/47/1092287647.db2.gz RBDPMHNXTJFAMX-RDJZCZTQSA-N 0 3 308.491 2.466 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@@H]1C ZINC001488136636 1092337429 /nfs/dbraw/zinc/33/74/29/1092337429.db2.gz RGYBBKWEVUMOFO-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001276001978 1092480526 /nfs/dbraw/zinc/48/05/26/1092480526.db2.gz IVHBTVKAJSTHNX-YOEHRIQHSA-N 0 3 302.418 2.229 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3[nH]c(C)nc3C)CC2)C1=O ZINC001273906640 1092497486 /nfs/dbraw/zinc/49/74/86/1092497486.db2.gz GTOUJDBTQNABBS-UHFFFAOYSA-N 0 3 316.449 2.417 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)CC[C@H]1C ZINC001488681328 1092682646 /nfs/dbraw/zinc/68/26/46/1092682646.db2.gz QRUAUVACHSQBHH-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC001488943409 1092842665 /nfs/dbraw/zinc/84/26/65/1092842665.db2.gz APMWOVYRYNLJHJ-UONOGXRCSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001489305816 1093011235 /nfs/dbraw/zinc/01/12/35/1093011235.db2.gz XCFKOTNIEZINNF-WBVHZDCISA-N 0 3 302.418 2.390 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCc2cnn(C)c2)[C@@H]1C ZINC001489282392 1093014553 /nfs/dbraw/zinc/01/45/53/1093014553.db2.gz GSMKTKBPMSBZCG-ZBFHGGJFSA-N 0 3 318.465 2.144 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc2ccncc2s1 ZINC001490208278 1093225622 /nfs/dbraw/zinc/22/56/22/1093225622.db2.gz SMMZRCNORKKIFZ-UHFFFAOYSA-N 0 3 301.415 2.371 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)C#CC1CC1 ZINC001490323939 1093311802 /nfs/dbraw/zinc/31/18/02/1093311802.db2.gz AXFGQPXLQFTWNN-UHFFFAOYSA-N 0 3 308.425 2.280 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)Cc2ccccn2)cn1 ZINC001490355763 1093349923 /nfs/dbraw/zinc/34/99/23/1093349923.db2.gz QCHMEJOHXWQLPC-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC001490586622 1093432265 /nfs/dbraw/zinc/43/22/65/1093432265.db2.gz INTFAUAEFLKWMI-WMLDXEAASA-N 0 3 322.412 2.189 20 30 DEEDHN CCCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CCN(CC#N)CC1 ZINC001490623563 1093449962 /nfs/dbraw/zinc/44/99/62/1093449962.db2.gz QHFGVCZQMFRPPH-IYBDPMFKSA-N 0 3 320.481 2.086 20 30 DEEDHN CCCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CCN(CC#N)CC1 ZINC001490623562 1093450300 /nfs/dbraw/zinc/45/03/00/1093450300.db2.gz QHFGVCZQMFRPPH-HZPDHXFCSA-N 0 3 320.481 2.086 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2c(C)noc2C)CCOCC1 ZINC001273951843 1093537316 /nfs/dbraw/zinc/53/73/16/1093537316.db2.gz JONFPKKNUOQRRA-UHFFFAOYSA-N 0 3 321.421 2.013 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1snc(Cl)c1Cl ZINC001274068937 1093789139 /nfs/dbraw/zinc/78/91/39/1093789139.db2.gz OMRHBYSNKBSPQD-SNAWJCMRSA-N 0 3 318.229 2.349 20 30 DEEDHN N#Cc1cc(CN2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)ccn1 ZINC001237464210 1138643929 /nfs/dbraw/zinc/64/39/29/1138643929.db2.gz OWZHJOJICUPPEN-LJQANCHMSA-N 0 3 324.428 2.178 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NCc2ccccc2CC)C1 ZINC001278148409 1138795705 /nfs/dbraw/zinc/79/57/05/1138795705.db2.gz UOLPNAAUVJWMDW-KRWDZBQOSA-N 0 3 316.445 2.172 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)NCc1cc(C)cc(C)c1 ZINC001278148423 1138796803 /nfs/dbraw/zinc/79/68/03/1138796803.db2.gz VDEXTWNPYWYRER-HKUYNNGSSA-N 0 3 318.461 2.472 20 30 DEEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3c[nH]ccc3=O)C2)c1 ZINC001237848745 1138804405 /nfs/dbraw/zinc/80/44/05/1138804405.db2.gz QNWGVORBDLFVLM-KRWDZBQOSA-N 0 3 309.369 2.290 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cccc4cncn43)C2)C1=O ZINC001238104339 1138822625 /nfs/dbraw/zinc/82/26/25/1138822625.db2.gz LLENMMKDIGOUEG-LJQANCHMSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@H]1C ZINC001278251695 1138858054 /nfs/dbraw/zinc/85/80/54/1138858054.db2.gz PVRMMCXAHDVAIE-UKRRQHHQSA-N 0 3 305.447 2.334 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001292735651 1138863028 /nfs/dbraw/zinc/86/30/28/1138863028.db2.gz DNYPQWXFEXCHKH-MAUKXSAKSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001292735650 1138863290 /nfs/dbraw/zinc/86/32/90/1138863290.db2.gz DNYPQWXFEXCHKH-CRAIPNDOSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CCN(Cc2ccc(-c3ccc(OCC#N)cn3)cc2)CC1 ZINC001240402764 1139360762 /nfs/dbraw/zinc/36/07/62/1139360762.db2.gz RFPBFFYCTJZODW-UHFFFAOYSA-N 0 3 322.412 2.398 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](OC)c2ccccc2)C1 ZINC001318443966 1140330289 /nfs/dbraw/zinc/33/02/89/1140330289.db2.gz AAQDIRNJPGXOAZ-IAGOWNOFSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@H](C)C(C)(F)F)C1 ZINC001318484118 1140346358 /nfs/dbraw/zinc/34/63/58/1140346358.db2.gz VBZAAJMJXANCOO-UONOGXRCSA-N 0 3 318.408 2.403 20 30 DEEDHN CCOCC(=O)NC[C@H](CC)NCC#Cc1ccc(Cl)cc1 ZINC001318496731 1140351610 /nfs/dbraw/zinc/35/16/10/1140351610.db2.gz NITHEAFCGVYERY-INIZCTEOSA-N 0 3 322.836 2.212 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](CCNCC(=C)Cl)C1 ZINC001318777835 1140411950 /nfs/dbraw/zinc/41/19/50/1140411950.db2.gz CTCJVIOJTNXODT-CQSZACIVSA-N 0 3 300.830 2.160 20 30 DEEDHN C=CCCC(=O)N1CCC(CCN[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001318875096 1140447908 /nfs/dbraw/zinc/44/79/08/1140447908.db2.gz RRPMAFPPMRGQAJ-CYBMUJFWSA-N 0 3 319.453 2.359 20 30 DEEDHN C=CCCC(=O)N1CCC(CCN[C@H](C)c2nncn2C)CC1 ZINC001318875476 1140450715 /nfs/dbraw/zinc/45/07/15/1140450715.db2.gz WLDFSUIIEMZDIW-CQSZACIVSA-N 0 3 319.453 2.061 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001278389710 1140472637 /nfs/dbraw/zinc/47/26/37/1140472637.db2.gz AHNVFQCAMRDLGB-OLZOCXBDSA-N 0 3 322.840 2.333 20 30 DEEDHN C=CCCC(=O)NCCC1CCN(CC(=O)N(C)C(C)C)CC1 ZINC001319019287 1140491179 /nfs/dbraw/zinc/49/11/79/1140491179.db2.gz IBCXLFDSTWERES-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2csc(C(C)C)n2)C1 ZINC001278402669 1140606838 /nfs/dbraw/zinc/60/68/38/1140606838.db2.gz CGMBEXPAIHBAGS-CHWSQXEVSA-N 0 3 305.447 2.482 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC001320009337 1140811806 /nfs/dbraw/zinc/81/18/06/1140811806.db2.gz RQEIXMUPFPGXLI-UHFFFAOYSA-N 0 3 307.438 2.481 20 30 DEEDHN C=CCO[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC001320064618 1140817791 /nfs/dbraw/zinc/81/77/91/1140817791.db2.gz ZBHCKXZXIBZUST-SJORKVTESA-N 0 3 317.433 2.276 20 30 DEEDHN C=CCCCCCC[C@@H](O)CNC1=C(C(=O)OCC)CNCC1 ZINC001245997559 1140843468 /nfs/dbraw/zinc/84/34/68/1140843468.db2.gz UQPGHQKLTRLIQF-OAHLLOKOSA-N 0 3 324.465 2.274 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001278426623 1140850855 /nfs/dbraw/zinc/85/08/55/1140850855.db2.gz INLVJBDKBFRBKH-APWZRJJASA-N 0 3 314.429 2.196 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@H](C)c1c(C)noc1C ZINC001320780643 1140921664 /nfs/dbraw/zinc/92/16/64/1140921664.db2.gz VVMSSOBWHDGHMN-ZDUSSCGKSA-N 0 3 305.422 2.246 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001321037971 1141035827 /nfs/dbraw/zinc/03/58/27/1141035827.db2.gz AZLNVALHKKVBLK-QWNKOJSDSA-N 0 3 320.408 2.223 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)c1cccc(C2CC2)c1 ZINC001321418485 1141242063 /nfs/dbraw/zinc/24/20/63/1141242063.db2.gz CRPKLTGQKYAXSP-IHWYPQMZSA-N 0 3 312.413 2.089 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CCCCCCC1 ZINC001321585761 1141311715 /nfs/dbraw/zinc/31/17/15/1141311715.db2.gz JBTPHEWENBEQHJ-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H](C)CNC[C@H](F)CC)cc1 ZINC001322012220 1141381690 /nfs/dbraw/zinc/38/16/90/1141381690.db2.gz FVIIRHBBFMNQKK-DZGCQCFKSA-N 0 3 306.381 2.155 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(CF)cc1 ZINC001322159187 1141423002 /nfs/dbraw/zinc/42/30/02/1141423002.db2.gz YWGHZJIQSIYOMZ-CABCVRRESA-N 0 3 320.408 2.131 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160416 1141423807 /nfs/dbraw/zinc/42/38/07/1141423807.db2.gz LMNQDNPSKQZANN-STQMWFEESA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160416 1141423837 /nfs/dbraw/zinc/42/38/37/1141423837.db2.gz LMNQDNPSKQZANN-STQMWFEESA-N 0 3 315.421 2.363 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)CCn2cc(Cl)cn2)C1 ZINC001322243682 1141489049 /nfs/dbraw/zinc/48/90/49/1141489049.db2.gz HUTNUIDKEMOGOQ-CYBMUJFWSA-N 0 3 324.856 2.329 20 30 DEEDHN Cc1ncc(CNC[C@H](NC(=O)C#CC(C)(C)C)C2CC2)s1 ZINC001322999992 1141798707 /nfs/dbraw/zinc/79/87/07/1141798707.db2.gz LGKBPROEUQBVIE-HNNXBMFYSA-N 0 3 319.474 2.485 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001492494512 1141809023 /nfs/dbraw/zinc/80/90/23/1141809023.db2.gz WXUULYQBRNPJOG-UHFFFAOYSA-N 0 3 302.422 2.142 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc4c(c3)CCC4=O)no2)CCCN1 ZINC001249351801 1141877300 /nfs/dbraw/zinc/87/73/00/1141877300.db2.gz JLWMXRJPWQSWHR-GOSISDBHSA-N 0 3 307.353 2.468 20 30 DEEDHN CN1CCC2(CCN(Cc3cc4ccc(C#N)cc4[nH]3)CC2)C1=O ZINC001249430553 1141888991 /nfs/dbraw/zinc/88/89/91/1141888991.db2.gz WZOFGQVLNXRWHP-UHFFFAOYSA-N 0 3 322.412 2.484 20 30 DEEDHN Cc1cc(Nc2ccc(N3CCN(C)CC3)c(C#N)c2)cnc1N ZINC001249787022 1142026969 /nfs/dbraw/zinc/02/69/69/1142026969.db2.gz DDAAREYFNCGFGV-UHFFFAOYSA-N 0 3 322.416 2.339 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@@H](CC)CCC)C2)CC1 ZINC001324353800 1142062066 /nfs/dbraw/zinc/06/20/66/1142062066.db2.gz WXXVFDCUBLHFFD-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCCOC1)C1CCN(CC(=C)C)CC1 ZINC001324441811 1142077972 /nfs/dbraw/zinc/07/79/72/1142077972.db2.gz ROKIZJQJFMRNHQ-QGZVFWFLSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CSC(C)C)C2 ZINC001324549227 1142098870 /nfs/dbraw/zinc/09/88/70/1142098870.db2.gz KVXQYHGRZFIULO-QGZVFWFLSA-N 0 3 308.491 2.466 20 30 DEEDHN N#Cc1csc(CNC[C@H](O)COc2ccc(F)cc2F)c1 ZINC001250887468 1142344816 /nfs/dbraw/zinc/34/48/16/1142344816.db2.gz FORQEODAZLRGOD-LBPRGKRZSA-N 0 3 324.352 2.427 20 30 DEEDHN C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)C[C@H](O)CO ZINC001252062845 1142618110 /nfs/dbraw/zinc/61/81/10/1142618110.db2.gz PYUJELOJEFLNQS-KXBFYZLASA-N 0 3 310.397 2.475 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC001252132478 1142652484 /nfs/dbraw/zinc/65/24/84/1142652484.db2.gz HKTJRGQJCMBEIY-QGZVFWFLSA-N 0 3 314.514 2.486 20 30 DEEDHN CCCC1(C(=O)N2C[C@H](NCC#CCOC)C(C)(C)C2)CC1 ZINC001278666818 1142716289 /nfs/dbraw/zinc/71/62/89/1142716289.db2.gz HBVMLGXDVZXWRI-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001337247391 1142717442 /nfs/dbraw/zinc/71/74/42/1142717442.db2.gz RKHPIXDSBUAGMA-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C[C@](C)(O)CN1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001252556409 1142763874 /nfs/dbraw/zinc/76/38/74/1142763874.db2.gz GVUNIHCILQWOQY-ACJLOTCBSA-N 0 3 318.392 2.183 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001278672038 1142764050 /nfs/dbraw/zinc/76/40/50/1142764050.db2.gz FUTJPKBLLXAQOO-KRWDZBQOSA-N 0 3 304.438 2.055 20 30 DEEDHN C=C[C@@](C)(O)CN1CCN(c2nc3ccccc3n2CC)CC1 ZINC001252556266 1142764144 /nfs/dbraw/zinc/76/41/44/1142764144.db2.gz FUWSYMXUTPBZJP-GOSISDBHSA-N 0 3 314.433 2.115 20 30 DEEDHN C=CCC[C@H](O)CNCc1cc(F)c(OCCOC)c(F)c1 ZINC001252622867 1142794410 /nfs/dbraw/zinc/79/44/10/1142794410.db2.gz AAMSNMGSZNXUAW-ZDUSSCGKSA-N 0 3 315.360 2.407 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccnc3C(F)F)C2)C1 ZINC001253528813 1142878198 /nfs/dbraw/zinc/87/81/98/1142878198.db2.gz IPBBXBPMCBNHRZ-UHFFFAOYSA-N 0 3 307.344 2.353 20 30 DEEDHN C=C[C@H](O)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001253586197 1142882586 /nfs/dbraw/zinc/88/25/86/1142882586.db2.gz JHMBMDAXXRHTQE-HNNXBMFYSA-N 0 3 308.809 2.035 20 30 DEEDHN C[C@@](O)(CN1CCC[C@H](CC#N)C1)C(=O)OCc1ccccc1 ZINC001253632843 1142886735 /nfs/dbraw/zinc/88/67/35/1142886735.db2.gz SGNNLXAELBZIPP-CRAIPNDOSA-N 0 3 316.401 2.106 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001339033313 1142905125 /nfs/dbraw/zinc/90/51/25/1142905125.db2.gz RSWYDJAXESPNKO-ZBFHGGJFSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCn1c([C@@H](O)C(C)C)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001339041265 1142906313 /nfs/dbraw/zinc/90/63/13/1142906313.db2.gz MWZMQTZIAVEVTA-GJZGRUSLSA-N 0 3 321.469 2.074 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)C1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001339203731 1142982062 /nfs/dbraw/zinc/98/20/62/1142982062.db2.gz APZAIUWVTZXALZ-YMAMQOFZSA-N 0 3 323.481 2.035 20 30 DEEDHN COc1cccc(OC[C@H](O)CNCc2csc(C#N)c2)c1 ZINC001253981686 1143017613 /nfs/dbraw/zinc/01/76/13/1143017613.db2.gz DNRZUIWEEGRLIY-CYBMUJFWSA-N 0 3 318.398 2.158 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001339571361 1143056043 /nfs/dbraw/zinc/05/60/43/1143056043.db2.gz XVSVWGHDVLDHSK-HNNXBMFYSA-N 0 3 316.453 2.231 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1nc2ccccc2n1C ZINC001340089977 1143263201 /nfs/dbraw/zinc/26/32/01/1143263201.db2.gz IGLRSGOZPGJVQD-ZDUSSCGKSA-N 0 3 300.406 2.215 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC001340409955 1143339851 /nfs/dbraw/zinc/33/98/51/1143339851.db2.gz RXRICZVKRRDKJG-CYBMUJFWSA-N 0 3 301.394 2.475 20 30 DEEDHN C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001340456483 1143350340 /nfs/dbraw/zinc/35/03/40/1143350340.db2.gz KGHIYLXLECXNMB-SOUVJXGZSA-N 0 3 314.437 2.012 20 30 DEEDHN C=CCn1c(N2CCN([C@@H](C)CC)CC2)nnc1[C@](C)(O)CC ZINC001340528436 1143365427 /nfs/dbraw/zinc/36/54/27/1143365427.db2.gz BZCXLLAQYVYQIT-WMLDXEAASA-N 0 3 321.469 2.002 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC001340735797 1143420094 /nfs/dbraw/zinc/42/00/94/1143420094.db2.gz MKOCSAQLKNHMIL-BBRMVZONSA-N 0 3 306.406 2.262 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC001341362898 1143589764 /nfs/dbraw/zinc/58/97/64/1143589764.db2.gz URMPRPQJSVIICE-ZDUSSCGKSA-N 0 3 303.341 2.029 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC001278873553 1143771499 /nfs/dbraw/zinc/77/14/99/1143771499.db2.gz KCFXIIRDOWBONH-QGZVFWFLSA-N 0 3 316.445 2.294 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H]1OC ZINC001342049564 1143776632 /nfs/dbraw/zinc/77/66/32/1143776632.db2.gz SNSZGQKWFYRGJS-SCRDCRAPSA-N 0 3 316.357 2.158 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(C#N)nc2)C1 ZINC001255903551 1143813770 /nfs/dbraw/zinc/81/37/70/1143813770.db2.gz LBCIQFPIAQULAI-OAHLLOKOSA-N 0 3 316.405 2.442 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCN(CCC#N)CC1 ZINC001342392637 1143815139 /nfs/dbraw/zinc/81/51/39/1143815139.db2.gz PTCZRFVUCPISAI-MRXNPFEDSA-N 0 3 308.470 2.122 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccn(C(C)C)n1 ZINC001342580058 1143824900 /nfs/dbraw/zinc/82/49/00/1143824900.db2.gz RQZWBIXLKYJMPE-HNNXBMFYSA-N 0 3 318.421 2.412 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cccc(C)n1 ZINC001342606708 1143826352 /nfs/dbraw/zinc/82/63/52/1143826352.db2.gz NXWLBTJIHRRBAI-LBPRGKRZSA-N 0 3 309.325 2.360 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cn2c(n1)CCCC2)C(C)C ZINC001278908869 1143828236 /nfs/dbraw/zinc/82/82/36/1143828236.db2.gz ZCXWAOMWCXZSLO-UHFFFAOYSA-N 0 3 316.449 2.025 20 30 DEEDHN C=C[C@H](COC)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001342731166 1143832866 /nfs/dbraw/zinc/83/28/66/1143832866.db2.gz DTONCOBICFBLLQ-NXHRZFHOSA-N 0 3 304.434 2.067 20 30 DEEDHN C=CCN1CC[C@@H](NC[C@@H](NC(=O)CCCC)C(C)(C)C)C1=O ZINC001278938741 1143849860 /nfs/dbraw/zinc/84/98/60/1143849860.db2.gz CHALXTPYKZCFCE-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC[C@H](C)n1nc(C(=O)NCC2CC2)c2c1CCNC2 ZINC001258730805 1144037410 /nfs/dbraw/zinc/03/74/10/1144037410.db2.gz OCWPVQRCSPERDD-LBPRGKRZSA-N 0 3 302.422 2.196 20 30 DEEDHN C=CCS(=O)(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001259932538 1144160496 /nfs/dbraw/zinc/16/04/96/1144160496.db2.gz LPPRHMKKNMEWGG-BJWYYQGGSA-N 0 3 320.458 2.287 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCCC[C@H]1C(=O)NC ZINC001263069946 1144353490 /nfs/dbraw/zinc/35/34/90/1144353490.db2.gz GUMNFLNKZUUFFK-CABCVRRESA-N 0 3 311.470 2.191 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCNC(=O)CC12CCC2 ZINC001263180958 1144359878 /nfs/dbraw/zinc/35/98/78/1144359878.db2.gz ZBLYMKLLPWOVPZ-HNNXBMFYSA-N 0 3 323.481 2.336 20 30 DEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc(F)ccc1OC ZINC001263199960 1144360816 /nfs/dbraw/zinc/36/08/16/1144360816.db2.gz WCLYBWPOCHJTKV-UONOGXRCSA-N 0 3 307.369 2.423 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001263861520 1144415040 /nfs/dbraw/zinc/41/50/40/1144415040.db2.gz DDOZMZZZWHZOAQ-HAQNSBGRSA-N 0 3 301.217 2.203 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccn1 ZINC001263959801 1144433660 /nfs/dbraw/zinc/43/36/60/1144433660.db2.gz ZVQUQGPDETZYJG-TZMCWYRMSA-N 0 3 322.840 2.450 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)COC(C)C ZINC001264029539 1144444263 /nfs/dbraw/zinc/44/42/63/1144444263.db2.gz FQXKWZWUCMPLEM-HYVNUMGLSA-N 0 3 306.450 2.040 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)COC(C)C)C(C)(C)[C@@H]21 ZINC001264029538 1144444889 /nfs/dbraw/zinc/44/48/89/1144444889.db2.gz FQXKWZWUCMPLEM-DJIMGWMZSA-N 0 3 306.450 2.040 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H]1C ZINC001264139713 1144483713 /nfs/dbraw/zinc/48/37/13/1144483713.db2.gz YSLBPKXTPGBONW-UKPHBRMFSA-N 0 3 322.474 2.463 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)COc2ccc(C)cc2C)[C@H]1C ZINC001264172559 1144496150 /nfs/dbraw/zinc/49/61/50/1144496150.db2.gz GXRILCHIXRVATO-SJORKVTESA-N 0 3 314.429 2.285 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)CC2CCC2)CC(C)(C)C1 ZINC001264193252 1144504518 /nfs/dbraw/zinc/50/45/18/1144504518.db2.gz OHICRWFNKSXADW-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001264365212 1144513883 /nfs/dbraw/zinc/51/38/83/1144513883.db2.gz SSAVSAFBAGYPFN-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001264373097 1144518445 /nfs/dbraw/zinc/51/84/45/1144518445.db2.gz RPQYBKBXWRPTAD-INIZCTEOSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1 ZINC001264652946 1144585510 /nfs/dbraw/zinc/58/55/10/1144585510.db2.gz CVMYPOACWRBGHW-SJORKVTESA-N 0 3 318.461 2.019 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCCCN(C(=O)C=C(C)C)C1 ZINC001264670833 1144588700 /nfs/dbraw/zinc/58/87/00/1144588700.db2.gz JAKBRPYYXWSIGQ-JKSUJKDBSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccnn1C ZINC001265079044 1144639032 /nfs/dbraw/zinc/63/90/32/1144639032.db2.gz DPIOOPFGZGBUPM-GDBMZVCRSA-N 0 3 304.438 2.246 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001265218632 1144670033 /nfs/dbraw/zinc/67/00/33/1144670033.db2.gz JDOSMLFHDLTYFX-CZUORRHYSA-N 0 3 317.433 2.389 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001265315233 1144691868 /nfs/dbraw/zinc/69/18/68/1144691868.db2.gz RPJWILOBYFBTCY-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)CCc2cnccn2)CC1 ZINC001265341675 1144696140 /nfs/dbraw/zinc/69/61/40/1144696140.db2.gz WIAGCVXIIFDXSM-UHFFFAOYSA-N 0 3 316.449 2.298 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2ccnc(OC)c2)C1 ZINC001265443052 1144704216 /nfs/dbraw/zinc/70/42/16/1144704216.db2.gz OCMRLTFRNXRVTF-HOCLYGCPSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2ncccc2C)C1 ZINC001265531759 1144709621 /nfs/dbraw/zinc/70/96/21/1144709621.db2.gz UXEUBANEJPAIQH-OAGGEKHMSA-N 0 3 317.433 2.108 20 30 DEEDHN O=C(CCC(F)F)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001265549724 1144711176 /nfs/dbraw/zinc/71/11/76/1144711176.db2.gz WKGBRLDOKICUBP-GASCZTMLSA-N 0 3 306.356 2.320 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001265559547 1144712025 /nfs/dbraw/zinc/71/20/25/1144712025.db2.gz QWNMKIJLVCNLDQ-OKILXGFUSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCOc2cccc(C)c2)C1 ZINC001265597494 1144716896 /nfs/dbraw/zinc/71/68/96/1144716896.db2.gz ZKPPOFGWOGEPRO-KRWDZBQOSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)Cc1nc(C)sc1C ZINC001265646678 1144721879 /nfs/dbraw/zinc/72/18/79/1144721879.db2.gz DUXQAPRXFGAJHI-HNNXBMFYSA-N 0 3 319.474 2.296 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2cccnc2C)C1 ZINC001265892913 1144751591 /nfs/dbraw/zinc/75/15/91/1144751591.db2.gz UDGUXOCXFGEBJU-RDJZCZTQSA-N 0 3 317.433 2.062 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001265929256 1144760563 /nfs/dbraw/zinc/76/05/63/1144760563.db2.gz KHWIDLNAXOCIHY-UHFFFAOYSA-N 0 3 315.392 2.311 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC001266052084 1144800691 /nfs/dbraw/zinc/80/06/91/1144800691.db2.gz OYEMYEBJOKMEFD-UONOGXRCSA-N 0 3 323.462 2.171 20 30 DEEDHN CC#CCN(CCCNC(=O)C1CCC(OC)CC1)C1CC1 ZINC001266156953 1144810336 /nfs/dbraw/zinc/81/03/36/1144810336.db2.gz RSCADVPYYLYJIH-UHFFFAOYSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H]1CCO[C@H](C(C)C)C1)C1CC1 ZINC001266169315 1144811424 /nfs/dbraw/zinc/81/14/24/1144811424.db2.gz XGSCNVYJLYQVQE-RDJZCZTQSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CN(C)c2ccccc2)CC1 ZINC001266197265 1144813048 /nfs/dbraw/zinc/81/30/48/1144813048.db2.gz FZBNSVBFGDFJJT-UHFFFAOYSA-N 0 3 301.434 2.232 20 30 DEEDHN C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001266202184 1144813862 /nfs/dbraw/zinc/81/38/62/1144813862.db2.gz UBPKKRUMPQWOTL-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001266202184 1144813863 /nfs/dbraw/zinc/81/38/63/1144813863.db2.gz UBPKKRUMPQWOTL-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)COc1ccccc1 ZINC001279328843 1144820842 /nfs/dbraw/zinc/82/08/42/1144820842.db2.gz YXOKBPBGJDHDHJ-UHFFFAOYSA-N 0 3 322.408 2.317 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)[C@H](C)COC)CC2)CC1 ZINC001279359892 1144821279 /nfs/dbraw/zinc/82/12/79/1144821279.db2.gz BAYLLXXQEXAIOQ-HZPDHXFCSA-N 0 3 320.477 2.289 20 30 DEEDHN CCC(=O)N(C)CCOCCNCC#Cc1cccc(Cl)c1 ZINC001279375609 1144821494 /nfs/dbraw/zinc/82/14/94/1144821494.db2.gz OQZKTBIUGYWGLD-UHFFFAOYSA-N 0 3 322.836 2.166 20 30 DEEDHN C=CCCCN1CCC[C@](CO)(NC(=O)c2cocc2C)C1 ZINC001279499820 1144823332 /nfs/dbraw/zinc/82/33/32/1144823332.db2.gz MIJMTPMPODJGRV-KRWDZBQOSA-N 0 3 306.406 2.111 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@H](C)C(C)(F)F)CC1 ZINC001279636016 1144826351 /nfs/dbraw/zinc/82/63/51/1144826351.db2.gz GGODPZPRNLLFIU-ZDUSSCGKSA-N 0 3 316.392 2.229 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1c(C)ncn1C ZINC001280325632 1144835796 /nfs/dbraw/zinc/83/57/96/1144835796.db2.gz WYTMRMVFAAUXDA-UHFFFAOYSA-N 0 3 312.417 2.276 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccsc1COC ZINC001280821955 1144858257 /nfs/dbraw/zinc/85/82/57/1144858257.db2.gz HZNBYJRHMFRSEV-UHFFFAOYSA-N 0 3 308.447 2.312 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1c(F)cccc1F ZINC001280849276 1144859485 /nfs/dbraw/zinc/85/94/85/1144859485.db2.gz BDNODQDBNXDHAV-UHFFFAOYSA-N 0 3 308.372 2.311 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc2nc(C)[nH]c21 ZINC001280875099 1144860891 /nfs/dbraw/zinc/86/08/91/1144860891.db2.gz WAMUBOZSZILZLL-UHFFFAOYSA-N 0 3 312.417 2.289 20 30 DEEDHN C=CCCC(=O)N1CCC([C@@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001281331135 1144883069 /nfs/dbraw/zinc/88/30/69/1144883069.db2.gz QKZIQDFMAOKPNQ-GDBMZVCRSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1ncc(CN[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)s1 ZINC001281393569 1144886716 /nfs/dbraw/zinc/88/67/16/1144886716.db2.gz DMIVOIYKYFRCAJ-WFASDCNBSA-N 0 3 305.447 2.047 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001281808726 1144914823 /nfs/dbraw/zinc/91/48/23/1144914823.db2.gz PRBOJGNRXVNVGG-JKSUJKDBSA-N 0 3 320.477 2.025 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)C1CC2(CC2)C1 ZINC001282648423 1145110591 /nfs/dbraw/zinc/11/05/91/1145110591.db2.gz VZHABENDQFGPBD-MRXNPFEDSA-N 0 3 306.450 2.091 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001282677704 1145123092 /nfs/dbraw/zinc/12/30/92/1145123092.db2.gz FJRAAGINHDGZNC-HNNXBMFYSA-N 0 3 305.422 2.381 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CN(CCOC2CCC2)CC1(C)C ZINC001282801142 1145168008 /nfs/dbraw/zinc/16/80/08/1145168008.db2.gz RRZODTXMMKTAOH-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)C(C)(C)C1 ZINC001282825182 1145172081 /nfs/dbraw/zinc/17/20/81/1145172081.db2.gz YOJDSGGYROTIKQ-HNNXBMFYSA-N 0 3 317.433 2.123 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@@H](OCC)C(C)C)C[C@]2(C)C1 ZINC001282984660 1145225378 /nfs/dbraw/zinc/22/53/78/1145225378.db2.gz BVNPTVIMAUTRKJ-QRQLOZEOSA-N 0 3 320.477 2.241 20 30 DEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cccc(=O)[nH]1 ZINC001364500837 1145301575 /nfs/dbraw/zinc/30/15/75/1145301575.db2.gz HTYAAGJIMDLHOS-UHFFFAOYSA-N 0 3 310.357 2.119 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)OCC[C@H]1C ZINC001364536982 1145324834 /nfs/dbraw/zinc/32/48/34/1145324834.db2.gz YRTVQDSOOLTZGK-ZIAGYGMSSA-N 0 3 304.390 2.445 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc(CC)nn1C ZINC001283260154 1145338054 /nfs/dbraw/zinc/33/80/54/1145338054.db2.gz MHNBFTQZMXHSCJ-GFCCVEGCSA-N 0 3 312.845 2.223 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001283618524 1145546731 /nfs/dbraw/zinc/54/67/31/1145546731.db2.gz VCRZJQNGAAFTTP-GFCCVEGCSA-N 0 3 316.430 2.212 20 30 DEEDHN COc1cccc2c1CC[C@H](NCC1(C#N)CCOCC1)C2 ZINC001364766848 1145549186 /nfs/dbraw/zinc/54/91/86/1145549186.db2.gz AAVVLTAJGJAIHE-HNNXBMFYSA-N 0 3 300.402 2.462 20 30 DEEDHN Cn1ncc2c1CC(C)(C)CN(C[C@@H](O)c1cccc(C#N)c1)C2 ZINC001364777073 1145557487 /nfs/dbraw/zinc/55/74/87/1145557487.db2.gz QBTSCWCRTGNSFM-GOSISDBHSA-N 0 3 324.428 2.410 20 30 DEEDHN C[C@H](CN(C)C(=O)CCn1cccc1)NCC#Cc1ccccc1 ZINC001283691238 1145589439 /nfs/dbraw/zinc/58/94/39/1145589439.db2.gz KZEULDXWGMSIDJ-GOSISDBHSA-N 0 3 323.440 2.366 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CO)N[C@H]1CCc2ccc(Cl)cc21 ZINC001283745268 1145627874 /nfs/dbraw/zinc/62/78/74/1145627874.db2.gz IWMSJMXMHHXFRS-HOCLYGCPSA-N 0 3 322.836 2.360 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)NCc1c(C)cccc1C ZINC001283791633 1145648337 /nfs/dbraw/zinc/64/83/37/1145648337.db2.gz GTDOPYKMNXVQIG-OAHLLOKOSA-N 0 3 304.434 2.082 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](CO)N[C@@H](C)c1cccc(C)c1 ZINC001283795770 1145650172 /nfs/dbraw/zinc/65/01/72/1145650172.db2.gz HHJMGGIXZSOYTG-FUHWJXTLSA-N 0 3 316.445 2.316 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2scnc2C)[C@H]1C ZINC001283941734 1145720105 /nfs/dbraw/zinc/72/01/05/1145720105.db2.gz ZJIVSJYPLGAEKL-KGLIPLIRSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2ccccc2F)C[C@H]1C ZINC001284034769 1145763822 /nfs/dbraw/zinc/76/38/22/1145763822.db2.gz VPSLLDKEKZOLEK-GDBMZVCRSA-N 0 3 320.408 2.497 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)CCCOC)CCC[C@H]12 ZINC001284067653 1145783633 /nfs/dbraw/zinc/78/36/33/1145783633.db2.gz BSYNOIMLFKVAMY-SOLBZPMBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CCCN(CCO)[C@H]2C)CCCCC1 ZINC001284132618 1145805791 /nfs/dbraw/zinc/80/57/91/1145805791.db2.gz QNHDFCPYKIJZBG-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CC1(CC(=O)N[C@H]2CCCN(CCO)[C@@H]2C)CCCCC1 ZINC001284132612 1145805806 /nfs/dbraw/zinc/80/58/06/1145805806.db2.gz QNHDFCPYKIJZBG-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H](OC)[C@@H](C)CC)CC2)CC1 ZINC001284841152 1145934644 /nfs/dbraw/zinc/93/46/44/1145934644.db2.gz BXHQOQVANZQHLH-HOCLYGCPSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H](OC)[C@@H](C)CC)CC2)CC1 ZINC001284841150 1145935476 /nfs/dbraw/zinc/93/54/76/1145935476.db2.gz BXHQOQVANZQHLH-GOEBONIOSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@H](C)c2ccco2)CC1 ZINC001284958437 1145994245 /nfs/dbraw/zinc/99/42/45/1145994245.db2.gz XAOWOEDTJQEFKJ-OAHLLOKOSA-N 0 3 318.417 2.334 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cn(C)nc2C)c(F)c1 ZINC001285003517 1146006648 /nfs/dbraw/zinc/00/66/48/1146006648.db2.gz AOCOYIZADPKNEB-UHFFFAOYSA-N 0 3 316.380 2.073 20 30 DEEDHN C=CCCCC(=O)N(CC)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001285022705 1146010774 /nfs/dbraw/zinc/01/07/74/1146010774.db2.gz HRICGGNNWCFNHE-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001285645311 1146255069 /nfs/dbraw/zinc/25/50/69/1146255069.db2.gz JEXAQVULEHQHDF-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001285774378 1146317675 /nfs/dbraw/zinc/31/76/75/1146317675.db2.gz ULLNIIFWLWYGNI-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)N1C[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001287909756 1146746889 /nfs/dbraw/zinc/74/68/89/1146746889.db2.gz CSGPNCJYKFAUDA-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001491956766 1147019687 /nfs/dbraw/zinc/01/96/87/1147019687.db2.gz VLRDOLJPNGKTEK-INIZCTEOSA-N 0 3 313.445 2.453 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001491956767 1147020240 /nfs/dbraw/zinc/02/02/40/1147020240.db2.gz VLRDOLJPNGKTEK-MRXNPFEDSA-N 0 3 313.445 2.453 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H](C)n1ccc(C)n1 ZINC001492067528 1147059115 /nfs/dbraw/zinc/05/91/15/1147059115.db2.gz INCLQIOGMRPJPN-TZMCWYRMSA-N 0 3 312.845 2.380 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn(C)nc1C(F)F ZINC001366477697 1147301871 /nfs/dbraw/zinc/30/18/71/1147301871.db2.gz RDZYSAWXLSSVTL-VIFPVBQESA-N 0 3 320.771 2.208 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CCc1ccc(Cl)cc1 ZINC001317256247 1147305142 /nfs/dbraw/zinc/30/51/42/1147305142.db2.gz OJFKXDRVXBTICD-CQSZACIVSA-N 0 3 322.836 2.017 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CCc1ccc(Cl)cc1 ZINC001317256246 1147305731 /nfs/dbraw/zinc/30/57/31/1147305731.db2.gz OJFKXDRVXBTICD-AWEZNQCLSA-N 0 3 322.836 2.017 20 30 DEEDHN CCCSCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001317296565 1147316574 /nfs/dbraw/zinc/31/65/74/1147316574.db2.gz HSKVRQIHDGUVEN-LBPRGKRZSA-N 0 3 323.487 2.453 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ncoc2C2CC2)C1 ZINC001317380904 1147365077 /nfs/dbraw/zinc/36/50/77/1147365077.db2.gz HFJAQADLZOYQIL-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001316744623 1147541214 /nfs/dbraw/zinc/54/12/14/1147541214.db2.gz QNKOSFFSVZRAJK-CQSZACIVSA-N 0 3 308.466 2.140 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001317519156 1147544967 /nfs/dbraw/zinc/54/49/67/1147544967.db2.gz QIMILOYEDTUQFR-RDTXWAMCSA-N 0 3 320.408 2.091 20 30 DEEDHN CC[C@H](C)CCC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1 ZINC001316757775 1147569028 /nfs/dbraw/zinc/56/90/28/1147569028.db2.gz HQEFCVRFYVSJKO-KSZLIROESA-N 0 3 320.477 2.243 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@H](CCNC(=O)c2cocn2)C1 ZINC001366822143 1147580172 /nfs/dbraw/zinc/58/01/72/1147580172.db2.gz MGZXJYXFXSHOQK-CQSZACIVSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc2ccncc21)C1CC1 ZINC001316930018 1147633679 /nfs/dbraw/zinc/63/36/79/1147633679.db2.gz MNAKXAXSTTVMEK-UHFFFAOYSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001316996232 1147646245 /nfs/dbraw/zinc/64/62/45/1147646245.db2.gz WASQNMODODPXQA-WBVHZDCISA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN1CCC(N(CCC)C(=O)CCc2c[nH]cn2)CC1 ZINC001317007668 1147647517 /nfs/dbraw/zinc/64/75/17/1147647517.db2.gz XRKGSGXHEPVAPB-UHFFFAOYSA-N 0 3 316.449 2.069 20 30 DEEDHN CC#CCN1CCC(N(CCC)C(=O)CCc2cnc[nH]2)CC1 ZINC001317007668 1147647519 /nfs/dbraw/zinc/64/75/19/1147647519.db2.gz XRKGSGXHEPVAPB-UHFFFAOYSA-N 0 3 316.449 2.069 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001317048905 1147653077 /nfs/dbraw/zinc/65/30/77/1147653077.db2.gz FEHBTBCXTKAASB-BMFZPTHFSA-N 0 3 314.433 2.429 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)Cc1c(C)noc1Cl ZINC001317176811 1147671403 /nfs/dbraw/zinc/67/14/03/1147671403.db2.gz PEJGIALUASVHBP-CYBMUJFWSA-N 0 3 323.824 2.173 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCCO2)CCCC1 ZINC001367314923 1147677187 /nfs/dbraw/zinc/67/71/87/1147677187.db2.gz ISDRYJKEBSRYSW-ZDUSSCGKSA-N 0 3 300.830 2.327 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001317239691 1147681272 /nfs/dbraw/zinc/68/12/72/1147681272.db2.gz DENRJYMXRHFKSO-OLZOCXBDSA-N 0 3 324.371 2.160 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001317243689 1147681919 /nfs/dbraw/zinc/68/19/19/1147681919.db2.gz ZGFDJBXJWXLBGB-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001317261755 1147683929 /nfs/dbraw/zinc/68/39/29/1147683929.db2.gz NNDYRAQGRRSYNK-CYBMUJFWSA-N 0 3 303.431 2.408 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001317334259 1147692361 /nfs/dbraw/zinc/69/23/61/1147692361.db2.gz QNWILXLIRUWUSH-HZPDHXFCSA-N 0 3 318.465 2.269 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001317380736 1147699768 /nfs/dbraw/zinc/69/97/68/1147699768.db2.gz GHEJUTXMNWKNPA-SJORKVTESA-N 0 3 301.434 2.385 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cccnc1C(F)(F)F ZINC001317486897 1147714525 /nfs/dbraw/zinc/71/45/25/1147714525.db2.gz JPJDZDCNOSYNOL-UHFFFAOYSA-N 0 3 301.312 2.338 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001317491507 1147714969 /nfs/dbraw/zinc/71/49/69/1147714969.db2.gz KFLRZYBAUQJNGE-UHFFFAOYSA-N 0 3 307.369 2.022 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CC(F)(F)C(F)(F)F ZINC001317512731 1147718150 /nfs/dbraw/zinc/71/81/50/1147718150.db2.gz CRUIGANQCICYCA-VIFPVBQESA-N 0 3 300.271 2.341 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCC(=O)N1CCCC[C@H]1C ZINC001317623514 1147734360 /nfs/dbraw/zinc/73/43/60/1147734360.db2.gz NVPONVKQAFMCCS-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001317933889 1147762104 /nfs/dbraw/zinc/76/21/04/1147762104.db2.gz LJSDJEKZUOPFEG-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001318232783 1147802240 /nfs/dbraw/zinc/80/22/40/1147802240.db2.gz NDBZKZPPECZNOF-YQQAZPJKSA-N 0 3 312.413 2.414 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001318247984 1147804081 /nfs/dbraw/zinc/80/40/81/1147804081.db2.gz MTAYKLJWRKTQER-PKOBYXMFSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001318300914 1147809124 /nfs/dbraw/zinc/80/91/24/1147809124.db2.gz GOEUHJLGUUBTFL-RDJZCZTQSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2ccncc2Cl)C1 ZINC001324646880 1147825597 /nfs/dbraw/zinc/82/55/97/1147825597.db2.gz JPRXOAXKPCUPDD-INIZCTEOSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001324970983 1147863241 /nfs/dbraw/zinc/86/32/41/1147863241.db2.gz CLZCVWJWVUNIQX-NVXWUHKLSA-N 0 3 304.438 2.239 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@]1(O)CCN(CC(=C)C)C1)c1ccccc1 ZINC001325161322 1147881890 /nfs/dbraw/zinc/88/18/90/1147881890.db2.gz NFXXOPNJGLEJEE-MJGOQNOKSA-N 0 3 314.429 2.085 20 30 DEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C[C@H](C)OC)C2)CC1 ZINC001325352944 1147895084 /nfs/dbraw/zinc/89/50/84/1147895084.db2.gz UAABLOBTRKDNQT-FUHWJXTLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1nonc1C)c1ccccc1CC ZINC001325367774 1147897001 /nfs/dbraw/zinc/89/70/01/1147897001.db2.gz ZASDKGAZGFFTNZ-OAHLLOKOSA-N 0 3 314.389 2.187 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccns1 ZINC001325694500 1147985158 /nfs/dbraw/zinc/98/51/58/1147985158.db2.gz UXVZFYOMHCLBFL-UHFFFAOYSA-N 0 3 313.426 2.398 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cnn(CCC)c1 ZINC001325703501 1147985927 /nfs/dbraw/zinc/98/59/27/1147985927.db2.gz YLKXFPCZIFVKEH-UHFFFAOYSA-N 0 3 324.428 2.158 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCc1coc(-c2ccccc2)n1 ZINC001325737080 1147993130 /nfs/dbraw/zinc/99/31/30/1147993130.db2.gz KBFAHIUWPDLINM-OAHLLOKOSA-N 0 3 312.373 2.021 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@H](OCC)C(=C)C)[C@@H]2C1 ZINC001325943870 1148022061 /nfs/dbraw/zinc/02/20/61/1148022061.db2.gz ZXESZUHHSOKCEA-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN Cc1cc(CNCCN2c3ccccc3OCC2=O)ccc1C#N ZINC001326562215 1148145124 /nfs/dbraw/zinc/14/51/24/1148145124.db2.gz RGVOWKHPXBYTGV-UHFFFAOYSA-N 0 3 321.380 2.382 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001327080756 1148322287 /nfs/dbraw/zinc/32/22/87/1148322287.db2.gz DSMHNXULFSSETC-KRWDZBQOSA-N 0 3 319.493 2.217 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)CCC2CCC2)CC1 ZINC001327116303 1148329787 /nfs/dbraw/zinc/32/97/87/1148329787.db2.gz VMRTZPWHMQQOQX-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)COc2ccsc2)CC1 ZINC001327165038 1148341314 /nfs/dbraw/zinc/34/13/14/1148341314.db2.gz ZHUHHLHVFDKOAH-CQSZACIVSA-N 0 3 306.431 2.121 20 30 DEEDHN C=C[C@H](O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000612583086 361865789 /nfs/dbraw/zinc/86/57/89/361865789.db2.gz FXNDADPSNKJRIA-INIZCTEOSA-N 0 3 304.390 2.037 20 30 DEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(F)c(F)c1 ZINC000153298992 282167221 /nfs/dbraw/zinc/16/72/21/282167221.db2.gz YQRTVSZUWACXBH-UHFFFAOYSA-N 0 3 305.332 2.206 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CC[C@H](N3CCCCC3)C2)cc1 ZINC000320496858 231195579 /nfs/dbraw/zinc/19/55/79/231195579.db2.gz XCKXFYUDHRHHSE-KRWDZBQOSA-N 0 3 312.417 2.057 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001421828713 1172022931 /nfs/dbraw/zinc/02/29/31/1172022931.db2.gz PEBWVRMSQPADPF-AWEZNQCLSA-N 0 3 313.873 2.194 20 30 DEEDHN CN1CCN(c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000192645201 529777504 /nfs/dbraw/zinc/77/75/04/529777504.db2.gz GMSQCJDMZAGZMH-WBVHZDCISA-N 0 3 313.449 2.005 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)OCC1CC1 ZINC000192859013 282345070 /nfs/dbraw/zinc/34/50/70/282345070.db2.gz LGLVQQSFDRWBDR-UHFFFAOYSA-N 0 3 301.390 2.468 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000614675466 362434117 /nfs/dbraw/zinc/43/41/17/362434117.db2.gz XZBXGGKPPAWLCH-HUUCEWRRSA-N 0 3 310.825 2.386 20 30 DEEDHN N#CCNC(=O)CN(CCc1cccc(F)c1)C1CCCC1 ZINC000152576381 186086620 /nfs/dbraw/zinc/08/66/20/186086620.db2.gz UTBQLSKJQUOVTF-UHFFFAOYSA-N 0 3 303.381 2.253 20 30 DEEDHN CC[C@H](C)N(CCO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000287187598 219368121 /nfs/dbraw/zinc/36/81/21/219368121.db2.gz CVSYPNCXQFDLHM-YOEHRIQHSA-N 0 3 315.417 2.146 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(F)c1 ZINC000171963017 198015689 /nfs/dbraw/zinc/01/56/89/198015689.db2.gz UIBPVVDUTZOQFF-MRXNPFEDSA-N 0 3 317.408 2.242 20 30 DEEDHN N#Cc1ccc(CNCC2(N3CCCCC3)CCOCC2)o1 ZINC000174380043 198328015 /nfs/dbraw/zinc/32/80/15/198328015.db2.gz PASWTYQVZNJUJL-UHFFFAOYSA-N 0 3 303.406 2.276 20 30 DEEDHN COc1ccc(CNCC2(C(=O)N(C)C)CCCC2)cc1C#N ZINC000174387198 198328385 /nfs/dbraw/zinc/32/83/85/198328385.db2.gz UVZNSOOSBWMKLP-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(C#N)cc2)CN1C1CC1 ZINC000595552976 358482164 /nfs/dbraw/zinc/48/21/64/358482164.db2.gz BYTBUALZGCCXNU-CJNGLKHVSA-N 0 3 312.417 2.025 20 30 DEEDHN CC(=O)NCc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041562858 354175139 /nfs/dbraw/zinc/17/51/39/354175139.db2.gz ZWIYTNOTFCPMEU-MRXNPFEDSA-N 0 3 322.368 2.220 20 30 DEEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)on1 ZINC000047011084 354301463 /nfs/dbraw/zinc/30/14/63/354301463.db2.gz FTBZODLHQSNYSG-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cccc(OC(F)F)c2)CC1 ZINC000050364992 354371932 /nfs/dbraw/zinc/37/19/32/354371932.db2.gz RZMZORNPAUJXAQ-UHFFFAOYSA-N 0 3 322.355 2.249 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN2CC)cc1OC ZINC000054460834 354463654 /nfs/dbraw/zinc/46/36/54/354463654.db2.gz QRHMCZYWEXKGHV-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCNC(=O)CCNCc1ccccc1OCc1ccccc1 ZINC000064615699 354670768 /nfs/dbraw/zinc/67/07/68/354670768.db2.gz WMYSMVLSOCWTHB-UHFFFAOYSA-N 0 3 322.408 2.495 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)C2CCOCC2)CC1 ZINC000074877504 355057763 /nfs/dbraw/zinc/05/77/63/355057763.db2.gz OITBOQDNWICBSZ-MRXNPFEDSA-N 0 3 309.454 2.141 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H](N4CCCC4)C3)o2)c1 ZINC000075685377 355101582 /nfs/dbraw/zinc/10/15/82/355101582.db2.gz IXDKJYRTRDVUFK-MRXNPFEDSA-N 0 3 323.400 2.278 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CCN1C ZINC000332615656 235201062 /nfs/dbraw/zinc/20/10/62/235201062.db2.gz BHYDJEWESGEKTM-SWLSCSKDSA-N 0 3 324.384 2.426 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC000081355686 355421306 /nfs/dbraw/zinc/42/13/06/355421306.db2.gz KAFNZGWKZYELSG-LSDHHAIUSA-N 0 3 322.449 2.123 20 30 DEEDHN N#Cc1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cn1 ZINC000089643875 355539464 /nfs/dbraw/zinc/53/94/64/355539464.db2.gz DFKUVCTVGMPXFB-QZTJIDSGSA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1cccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000089644661 355539651 /nfs/dbraw/zinc/53/96/51/355539651.db2.gz HABCKSZTBLIAMN-SJORKVTESA-N 0 3 308.385 2.001 20 30 DEEDHN C=CCCOCCN[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000090884062 355569141 /nfs/dbraw/zinc/56/91/41/355569141.db2.gz JVXXMYQHQACZEM-MJGOQNOKSA-N 0 3 318.461 2.458 20 30 DEEDHN CCN1CCN(CCCNc2snc(Cl)c2C#N)CC1 ZINC000092607666 355641475 /nfs/dbraw/zinc/64/14/75/355641475.db2.gz RVNOKFQUZYEMIW-UHFFFAOYSA-N 0 3 313.858 2.108 20 30 DEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000107581138 355728513 /nfs/dbraw/zinc/72/85/13/355728513.db2.gz SIYNPKFCGMFSHE-OAHLLOKOSA-N 0 3 300.406 2.338 20 30 DEEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)[C@H]1CN(C)CCO1 ZINC000129354067 355833650 /nfs/dbraw/zinc/83/36/50/355833650.db2.gz CVHODFYOCPLMBO-CRAIPNDOSA-N 0 3 317.433 2.178 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCCN1C ZINC000139738291 355879491 /nfs/dbraw/zinc/87/94/91/355879491.db2.gz WKGWWJMENGHJTP-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN COC(=O)[C@@H](C)CN(CCOc1cccc(C#N)c1)C1CC1 ZINC000171298776 355999466 /nfs/dbraw/zinc/99/94/66/355999466.db2.gz PVEJNWHWDCVSNI-ZDUSSCGKSA-N 0 3 302.374 2.211 20 30 DEEDHN C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(C#N)cc1 ZINC000180141703 356043041 /nfs/dbraw/zinc/04/30/41/356043041.db2.gz MYCKWQWBDRCMEB-ZDUSSCGKSA-N 0 3 309.369 2.273 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NCc1ccccc1 ZINC000180508278 356052714 /nfs/dbraw/zinc/05/27/14/356052714.db2.gz DMHFBAXPWNIVDG-AWEZNQCLSA-N 0 3 304.353 2.497 20 30 DEEDHN CC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000182326680 356121341 /nfs/dbraw/zinc/12/13/41/356121341.db2.gz NKJBRIXNVNGNNU-SJORKVTESA-N 0 3 315.417 2.480 20 30 DEEDHN Cc1c([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)cnn1C ZINC000183462299 356172557 /nfs/dbraw/zinc/17/25/57/356172557.db2.gz UULPEFPGSLKTMK-LBPRGKRZSA-N 0 3 311.389 2.280 20 30 DEEDHN N#CC[C@@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000595610708 358500948 /nfs/dbraw/zinc/50/09/48/358500948.db2.gz ABNVIVUMNLTDDV-AWEZNQCLSA-N 0 3 311.385 2.298 20 30 DEEDHN C[C@H](NCC(=O)NCC#N)C(c1ccccc1)c1ccccc1 ZINC000184002900 356182890 /nfs/dbraw/zinc/18/28/90/356182890.db2.gz MQRYZDILXFFJDI-HNNXBMFYSA-N 0 3 307.397 2.436 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2COCCO2)c(C(F)(F)F)c1 ZINC000352821464 283146415 /nfs/dbraw/zinc/14/64/15/283146415.db2.gz GZGXHMLPEPGRTO-LBPRGKRZSA-N 0 3 300.280 2.082 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H](C)C1 ZINC000488772161 291097175 /nfs/dbraw/zinc/09/71/75/291097175.db2.gz SOTWAFOIQNOPQS-HUBLWGQQSA-N 0 3 315.377 2.028 20 30 DEEDHN C[C@@]1(NC(=O)c2ccc(C#N)cn2)CCN(Cc2ccccc2)C1 ZINC000405962994 356735527 /nfs/dbraw/zinc/73/55/27/356735527.db2.gz PUVFTKZUHXSIIZ-LJQANCHMSA-N 0 3 320.396 2.348 20 30 DEEDHN COc1ccc([C@H](CNc2ncncc2C#N)N2CCCC2)cc1 ZINC000578352183 356803115 /nfs/dbraw/zinc/80/31/15/356803115.db2.gz INHAMOFFZBCZCG-KRWDZBQOSA-N 0 3 323.400 2.028 20 30 DEEDHN CCOc1ccc(OC[C@H](O)CNCC2(CC#N)CC2)cc1 ZINC000578981273 356901361 /nfs/dbraw/zinc/90/13/61/356901361.db2.gz JVUPIYORBOCIPC-CQSZACIVSA-N 0 3 304.390 2.108 20 30 DEEDHN N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000586776428 357368329 /nfs/dbraw/zinc/36/83/29/357368329.db2.gz WXTOVHLKJVJFBB-CYBMUJFWSA-N 0 3 303.793 2.426 20 30 DEEDHN CCCN(CCN1CCCCCC1)CC(=O)N(CC)CCC#N ZINC000344029633 283256616 /nfs/dbraw/zinc/25/66/16/283256616.db2.gz NNDUROKXHLBRDQ-UHFFFAOYSA-N 0 3 322.497 2.337 20 30 DEEDHN N#Cc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nn1 ZINC000588072472 357392050 /nfs/dbraw/zinc/39/20/50/357392050.db2.gz DXWFCQSWYVVQOF-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN N#CCCCCCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000588280661 357404636 /nfs/dbraw/zinc/40/46/36/357404636.db2.gz MOSWPMLJYJUDMF-MRXNPFEDSA-N 0 3 307.438 2.174 20 30 DEEDHN N#Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000589300151 357461644 /nfs/dbraw/zinc/46/16/44/357461644.db2.gz KBHJPUMTAUPAIM-UHFFFAOYSA-N 0 3 320.396 2.131 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(CC(N)=O)cc1)CC2 ZINC000589344799 357465823 /nfs/dbraw/zinc/46/58/23/357465823.db2.gz ISWDWNPGPIOEAH-GOSISDBHSA-N 0 3 305.381 2.363 20 30 DEEDHN N#Cc1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000589419560 357468107 /nfs/dbraw/zinc/46/81/07/357468107.db2.gz GEAUJTJMIPGMMK-KRWDZBQOSA-N 0 3 320.396 2.348 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000591549440 357735411 /nfs/dbraw/zinc/73/54/11/357735411.db2.gz WNCMUVJXZJUSFJ-NVXWUHKLSA-N 0 3 312.417 2.281 20 30 DEEDHN COc1ccccc1C(C)(C)CNC(=O)[C@H](N)CCCC#N ZINC000591604503 357742262 /nfs/dbraw/zinc/74/22/62/357742262.db2.gz RBZBEKSGBSIRIE-CQSZACIVSA-N 0 3 303.406 2.110 20 30 DEEDHN CCOC(=O)CC[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765791 357758421 /nfs/dbraw/zinc/75/84/21/357758421.db2.gz HXWRQCUURHGNCB-ZDUSSCGKSA-N 0 3 310.781 2.005 20 30 DEEDHN COc1ccc2ncc(C#N)c(N3C[C@@H]4CCN(C)[C@@H]4C3)c2c1 ZINC000591947743 357804120 /nfs/dbraw/zinc/80/41/20/357804120.db2.gz VFCJKLNAZQUYTR-YVEFUNNKSA-N 0 3 308.385 2.255 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCN(C)C1 ZINC000591954130 357805006 /nfs/dbraw/zinc/80/50/06/357805006.db2.gz LFKBPOFEAVNCIS-OAHLLOKOSA-N 0 3 318.396 2.323 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(C)c2C(F)F)CC1 ZINC000592071249 357823675 /nfs/dbraw/zinc/82/36/75/357823675.db2.gz QAIZBWWWCWOHDC-UHFFFAOYSA-N 0 3 312.364 2.128 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000592233752 357855515 /nfs/dbraw/zinc/85/55/15/357855515.db2.gz AGDHUZSCKITSQK-XUIVZRPNSA-N 0 3 317.374 2.261 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000592126864 357836702 /nfs/dbraw/zinc/83/67/02/357836702.db2.gz ROBOLUYMWRQUQQ-SECBINFHSA-N 0 3 307.404 2.226 20 30 DEEDHN C=CCN1CCC(Nc2cc(C(C)C)nc3ncnn32)CC1 ZINC000592370852 357867927 /nfs/dbraw/zinc/86/79/27/357867927.db2.gz HJHCSUKEOTVSIQ-UHFFFAOYSA-N 0 3 300.410 2.310 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179369966 199023804 /nfs/dbraw/zinc/02/38/04/199023804.db2.gz NEESYWDEAYDEDO-QWRGUYRKSA-N 0 3 309.435 2.416 20 30 DEEDHN CCCN(C(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CCN(C)C1 ZINC000592828852 357951889 /nfs/dbraw/zinc/95/18/89/357951889.db2.gz KDRBNKWYYVAOLN-MRXNPFEDSA-N 0 3 314.433 2.181 20 30 DEEDHN CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1ccc(F)cc1 ZINC000593419812 358073562 /nfs/dbraw/zinc/07/35/62/358073562.db2.gz YKJZCZUTLJBIHV-BXUZGUMPSA-N 0 3 306.337 2.486 20 30 DEEDHN CC[C@@H](C#N)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000593543400 358100320 /nfs/dbraw/zinc/10/03/20/358100320.db2.gz AGAVLPRTKCJFNM-KGLIPLIRSA-N 0 3 300.406 2.273 20 30 DEEDHN Cc1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)nn1C ZINC000593691813 358124318 /nfs/dbraw/zinc/12/43/18/358124318.db2.gz NVLUXQIUQFIPEW-UHFFFAOYSA-N 0 3 323.444 2.354 20 30 DEEDHN CCOC(=O)[C@@](C)(CNC(=O)C(C#N)CC)c1ccccc1 ZINC000593642296 358116612 /nfs/dbraw/zinc/11/66/12/358116612.db2.gz FEHKFFGAOZZGLX-DYVFJYSZSA-N 0 3 302.374 2.173 20 30 DEEDHN CNC(=O)CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000593987204 358185009 /nfs/dbraw/zinc/18/50/09/358185009.db2.gz OWJZDKRICPEEQB-UHFFFAOYSA-N 0 3 319.380 2.067 20 30 DEEDHN CCC(C)(C)N1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000594390025 358254488 /nfs/dbraw/zinc/25/44/88/358254488.db2.gz RHVODAREMBXGIS-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000180642379 199189776 /nfs/dbraw/zinc/18/97/76/199189776.db2.gz SZQBSYFYXSPTGI-TZMCWYRMSA-N 0 3 304.390 2.189 20 30 DEEDHN CSCC1(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000594713654 358323360 /nfs/dbraw/zinc/32/33/60/358323360.db2.gz UTILTRNKRJHTKH-AWEZNQCLSA-N 0 3 303.431 2.208 20 30 DEEDHN COc1cccc([C@@]2(C)CCN(C(=O)[C@H](N)CCCC#N)C2)c1 ZINC000595257426 358406951 /nfs/dbraw/zinc/40/69/51/358406951.db2.gz LBQBRXIEFDEOOF-AEFFLSMTSA-N 0 3 315.417 2.206 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1=CCN(C)CC1 ZINC000618826630 363612268 /nfs/dbraw/zinc/61/22/68/363612268.db2.gz IELQZBKXKVUYSR-SCLBCKFNSA-N 0 3 324.428 2.495 20 30 DEEDHN COc1ccc(CN2CCCN(c3cc(C#N)cnn3)CC2)cc1 ZINC000596066994 358602393 /nfs/dbraw/zinc/60/23/93/358602393.db2.gz XGUSBACQUILWDP-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN COC(=O)c1ccc(N[C@H]2CCN(C(C)(C)C)C2)c(C#N)n1 ZINC000596337374 358669726 /nfs/dbraw/zinc/66/97/26/358669726.db2.gz VYGAOTRRTRPIJF-NSHDSACASA-N 0 3 302.378 2.025 20 30 DEEDHN CCc1ccc([C@@H](CNC(=O)c2c[nH]c(C#N)c2)N(C)C)cc1 ZINC000181154851 199258538 /nfs/dbraw/zinc/25/85/38/199258538.db2.gz IPSUONWABGJRFB-QGZVFWFLSA-N 0 3 310.401 2.481 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596674695 358738668 /nfs/dbraw/zinc/73/86/68/358738668.db2.gz TUGBRJNHUNGVPQ-UHFFFAOYSA-N 0 3 316.449 2.330 20 30 DEEDHN CS[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H]1N(C)C ZINC000597444432 358919106 /nfs/dbraw/zinc/91/91/06/358919106.db2.gz ACSSSXPNGDPSRR-ZIAGYGMSSA-N 0 3 309.479 2.355 20 30 DEEDHN CN(CC1=CCSC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598516361 359227923 /nfs/dbraw/zinc/22/79/23/359227923.db2.gz SWEIELUIXZSCSW-INIZCTEOSA-N 0 3 311.410 2.372 20 30 DEEDHN CCc1nccn1[C@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598587530 359252268 /nfs/dbraw/zinc/25/22/68/359252268.db2.gz BLIOMACUPRSCHC-LSDHHAIUSA-N 0 3 304.438 2.383 20 30 DEEDHN COc1ccc2c(c1)[C@@H](NC[C@H](O)CC(C)(C)C#N)CCO2 ZINC000598724398 359306198 /nfs/dbraw/zinc/30/61/98/359306198.db2.gz OOYWTKYXJJBYCW-DOMZBBRYSA-N 0 3 304.390 2.409 20 30 DEEDHN Cc1cc(CNC[C@H](O)CC(C)(C)C#N)cc(N2CCCC2)n1 ZINC000598727885 359307852 /nfs/dbraw/zinc/30/78/52/359307852.db2.gz KSIPJPHGXHOSGV-MRXNPFEDSA-N 0 3 316.449 2.381 20 30 DEEDHN CC[C@](C)(C(=O)OC)N(C[C@H](O)CC(C)(C)C#N)CC1CC1 ZINC000598622043 359264741 /nfs/dbraw/zinc/26/47/41/359264741.db2.gz KLXWISBLDZIRIO-RHSMWYFYSA-N 0 3 310.438 2.341 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCSC[C@@H]1C1CC1 ZINC000599432797 359495931 /nfs/dbraw/zinc/49/59/31/359495931.db2.gz DDVSZBMGKJGTAO-HZPDHXFCSA-N 0 3 318.442 2.125 20 30 DEEDHN C=CCOc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1OC ZINC000186749934 200003568 /nfs/dbraw/zinc/00/35/68/200003568.db2.gz IVXQOCJCJRBZDL-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN COc1cc(NC(=O)NC[C@H]2CCCN(C)C2)c(F)cc1C#N ZINC000599816906 359604614 /nfs/dbraw/zinc/60/46/14/359604614.db2.gz KVCVPARJMCVLED-LLVKDONJSA-N 0 3 320.368 2.169 20 30 DEEDHN COCC[C@@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000428653192 237216970 /nfs/dbraw/zinc/21/69/70/237216970.db2.gz VSKPEMXDTFTOID-IAGOWNOFSA-N 0 3 316.401 2.023 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189141760 200355968 /nfs/dbraw/zinc/35/59/68/200355968.db2.gz UNNYEFHTKQYXBS-ZWKOTPCHSA-N 0 3 300.402 2.483 20 30 DEEDHN CCOC(=O)c1cc(-c2ccc(C#N)cc2)n(CCN(C)C)n1 ZINC000601930756 360195882 /nfs/dbraw/zinc/19/58/82/360195882.db2.gz BWLDUYJDNQPNHR-UHFFFAOYSA-N 0 3 312.373 2.160 20 30 DEEDHN CC[C@@H](C)[C@H](CN1CCN(c2cc(C#N)ccn2)CC1)OC ZINC000602434470 360371119 /nfs/dbraw/zinc/37/11/19/360371119.db2.gz FAWMWCIJGMODIO-ZBFHGGJFSA-N 0 3 302.422 2.136 20 30 DEEDHN CC[C@H](C)[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)OC ZINC000602442726 360375665 /nfs/dbraw/zinc/37/56/65/360375665.db2.gz WQDIHWWRLOZYND-HOCLYGCPSA-N 0 3 302.422 2.136 20 30 DEEDHN COc1ccc(CN(CCO)C[C@H](C)CCC#N)c(OC)c1 ZINC000602471151 360389679 /nfs/dbraw/zinc/38/96/79/360389679.db2.gz GZLIFKUYZUDBQA-CQSZACIVSA-N 0 3 306.406 2.438 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCCNC(=O)c1cccs1 ZINC000602515717 360413465 /nfs/dbraw/zinc/41/34/65/360413465.db2.gz CICSCQUNOCAIQD-CYBMUJFWSA-N 0 3 321.446 2.166 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000602521837 360415746 /nfs/dbraw/zinc/41/57/46/360415746.db2.gz SJSBXWJSXQGTAS-RRQGHBQHSA-N 0 3 300.402 2.333 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cnc2n1CCCC2 ZINC000602656856 360478498 /nfs/dbraw/zinc/47/84/98/360478498.db2.gz ZCWRLKMBCPXDBV-AWEZNQCLSA-N 0 3 302.422 2.408 20 30 DEEDHN N#C[C@H]1CC[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000442852086 238086183 /nfs/dbraw/zinc/08/61/83/238086183.db2.gz XOKXOXJKFSYCAP-ZFWWWQNUSA-N 0 3 319.430 2.008 20 30 DEEDHN CC1(F)CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602992288 360659227 /nfs/dbraw/zinc/65/92/27/360659227.db2.gz IOYKHIXUTLFTJL-HNNXBMFYSA-N 0 3 306.381 2.316 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1C#N ZINC000603377423 360810928 /nfs/dbraw/zinc/81/09/28/360810928.db2.gz UTBBMOHLRJEIIF-VXGBXAGGSA-N 0 3 315.377 2.112 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)NC1(CN(C)C)CCC1 ZINC000281360333 216248396 /nfs/dbraw/zinc/24/83/96/216248396.db2.gz LZMJYDVJRDFDRA-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN C=C(C)Cn1c(COC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000670230820 540922604 /nfs/dbraw/zinc/92/26/04/540922604.db2.gz UHGZYUWLCGFBQD-HNNXBMFYSA-N 0 3 319.453 2.065 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609258107 361293735 /nfs/dbraw/zinc/29/37/35/361293735.db2.gz MCZPBEZGCOMIEF-QGZVFWFLSA-N 0 3 323.400 2.420 20 30 DEEDHN CCC[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000608815880 361268851 /nfs/dbraw/zinc/26/88/51/361268851.db2.gz MVHIVOPFFPBITL-JKSUJKDBSA-N 0 3 300.406 2.102 20 30 DEEDHN CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000608822209 361269751 /nfs/dbraw/zinc/26/97/51/361269751.db2.gz HFZMAHPEABGWEO-IAGOWNOFSA-N 0 3 314.433 2.348 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2)C[C@H]1OC ZINC001212185250 781937787 /nfs/dbraw/zinc/93/77/87/781937787.db2.gz QQJGNLWXUZJACO-CGTJXYLNSA-N 0 3 314.429 2.367 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000673011016 541082223 /nfs/dbraw/zinc/08/22/23/541082223.db2.gz RQFQLZODMQWDKJ-GOEBONIOSA-N 0 3 305.422 2.180 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000611034412 361516470 /nfs/dbraw/zinc/51/64/70/361516470.db2.gz UWXXWNJXIYRRDF-INIZCTEOSA-N 0 3 308.385 2.233 20 30 DEEDHN N#Cc1ccc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)[nH]1 ZINC000611197612 361546026 /nfs/dbraw/zinc/54/60/26/361546026.db2.gz SFGBWAGRJYZCMA-UHFFFAOYSA-N 0 3 324.384 2.095 20 30 DEEDHN COC1CCN(CCN[C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000611465742 361604114 /nfs/dbraw/zinc/60/41/14/361604114.db2.gz LIEOYYDYFZZXHR-CYBMUJFWSA-N 0 3 305.397 2.459 20 30 DEEDHN C=C(CNC(=O)NCCN1CCC(OC)CC1)c1ccccc1 ZINC000673193535 541094469 /nfs/dbraw/zinc/09/44/69/541094469.db2.gz LTCCKIKCGDGFHN-UHFFFAOYSA-N 0 3 317.433 2.110 20 30 DEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H](O)C1CC1 ZINC000611785714 361682030 /nfs/dbraw/zinc/68/20/30/361682030.db2.gz FDNHLOATFPMLBT-QGZVFWFLSA-N 0 3 310.401 2.161 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C[C@H]2CCOC2)CC1 ZINC000675308343 541316815 /nfs/dbraw/zinc/31/68/15/541316815.db2.gz KKYGBVPTPOHIFX-HUUCEWRRSA-N 0 3 309.454 2.141 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1 ZINC000275442789 212334957 /nfs/dbraw/zinc/33/49/57/212334957.db2.gz FYNWPOJTGUIVHO-IRXDYDNUSA-N 0 3 311.385 2.052 20 30 DEEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1CC(C)(C)O ZINC000275418114 212320522 /nfs/dbraw/zinc/32/05/22/212320522.db2.gz CSMDERLJEOTTPG-GFCCVEGCSA-N 0 3 307.825 2.493 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000449865679 241181928 /nfs/dbraw/zinc/18/19/28/241181928.db2.gz BMBWVXHTWHFSMN-KURKYZTESA-N 0 3 314.429 2.358 20 30 DEEDHN C=CCC[C@@H](C)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000451209637 242711230 /nfs/dbraw/zinc/71/12/30/242711230.db2.gz QNXJKGDOIVMMLP-ZUOKHONESA-N 0 3 301.452 2.117 20 30 DEEDHN C=CC[C@H](C(=O)NCCCN1CCN(C)CC1)c1ccccc1 ZINC000275172439 212169598 /nfs/dbraw/zinc/16/95/98/212169598.db2.gz VBMRHJDVLKYKBP-SFHVURJKSA-N 0 3 315.461 2.100 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451597121 243181776 /nfs/dbraw/zinc/18/17/76/243181776.db2.gz GPEAIVMBHSZSNK-SJLPKXTDSA-N 0 3 300.402 2.454 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H](C)N1CCO ZINC000451651258 243267488 /nfs/dbraw/zinc/26/74/88/243267488.db2.gz GPZACQGWDLSEQA-GASCZTMLSA-N 0 3 306.837 2.078 20 30 DEEDHN C=CCOc1ccccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000678237138 541696193 /nfs/dbraw/zinc/69/61/93/541696193.db2.gz NPNUJSORVQPVHD-ROUUACIJSA-N 0 3 316.445 2.282 20 30 DEEDHN C=CCOc1ccc(CNC[C@]2(C)CCC(=O)N2)cc1OC ZINC000453586819 245194738 /nfs/dbraw/zinc/19/47/38/245194738.db2.gz IYRFPCWVZLTDQI-KRWDZBQOSA-N 0 3 304.390 2.018 20 30 DEEDHN C[C@H](Cn1cccn1)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000265083284 204384908 /nfs/dbraw/zinc/38/49/08/204384908.db2.gz RAOMNINBMXVGOE-LLVKDONJSA-N 0 3 317.780 2.025 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000274881856 212005715 /nfs/dbraw/zinc/00/57/15/212005715.db2.gz WWDOWDWGQXXBAN-CQSZACIVSA-N 0 3 313.401 2.471 20 30 DEEDHN C=CCOCCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000679588660 541881018 /nfs/dbraw/zinc/88/10/18/541881018.db2.gz IASRQIRHWWVVAO-QGZVFWFLSA-N 0 3 319.449 2.354 20 30 DEEDHN CC(C)[C@H](CNc1ccc(Cl)c(C#N)n1)N1CCN(C)CC1 ZINC000266136142 205127239 /nfs/dbraw/zinc/12/72/39/205127239.db2.gz FRWNSTYPDOPUIL-HNNXBMFYSA-N 0 3 321.856 2.291 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1 ZINC000288348568 220099130 /nfs/dbraw/zinc/09/91/30/220099130.db2.gz TVSDMAJHQKNZBM-DYVFJYSZSA-N 0 3 308.385 2.279 20 30 DEEDHN COc1ccc(CNCCN(C)CC(F)(F)F)cc1C#N ZINC000266227327 205198748 /nfs/dbraw/zinc/19/87/48/205198748.db2.gz SVOLHIDYKLJZRF-UHFFFAOYSA-N 0 3 301.312 2.151 20 30 DEEDHN C=CCOCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000679630135 541884711 /nfs/dbraw/zinc/88/47/11/541884711.db2.gz OYHISTAWVPERNT-UHFFFAOYSA-N 0 3 319.449 2.271 20 30 DEEDHN CC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1C[C@@H](C)O ZINC000266386501 205309242 /nfs/dbraw/zinc/30/92/42/205309242.db2.gz NLELHIZMKMKUEL-TZMCWYRMSA-N 0 3 307.825 2.493 20 30 DEEDHN C=C(C)COCCNC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000454677732 246055945 /nfs/dbraw/zinc/05/59/45/246055945.db2.gz FYQQHVBXLREFGA-INIZCTEOSA-N 0 3 311.470 2.389 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H](C)Cn2cccn2)c(C#N)c1C ZINC000267359697 206010660 /nfs/dbraw/zinc/01/06/60/206010660.db2.gz HWUOEBLCNGZKCG-SNVBAGLBSA-N 0 3 317.418 2.050 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC)C[C@H]2CC)CC1 ZINC000458314583 248257629 /nfs/dbraw/zinc/25/76/29/248257629.db2.gz FAWFCZZWZVBXFB-QGZVFWFLSA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000458336700 248265240 /nfs/dbraw/zinc/26/52/40/248265240.db2.gz PVVMNILWCJUKTL-IAGOWNOFSA-N 0 3 303.450 2.467 20 30 DEEDHN CN1CCC[C@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104918403 194053917 /nfs/dbraw/zinc/05/39/17/194053917.db2.gz INTPXUAJQAVMFU-KRWDZBQOSA-N 0 3 313.401 2.022 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000106039502 194181401 /nfs/dbraw/zinc/18/14/01/194181401.db2.gz VJPWPNZOROUNPG-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(Cl)s2)C1 ZINC000330857666 532973740 /nfs/dbraw/zinc/97/37/40/532973740.db2.gz SVLOSYHFJBCSMB-SNVBAGLBSA-N 0 3 317.842 2.126 20 30 DEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)CCCC#N ZINC000412585805 533092452 /nfs/dbraw/zinc/09/24/52/533092452.db2.gz YFDPHYUXXFJYRH-UHFFFAOYSA-N 0 3 305.378 2.268 20 30 DEEDHN C=C[C@H](C)NC[C@H](O)COc1ccc(Br)cc1 ZINC000158230553 197255437 /nfs/dbraw/zinc/25/54/37/197255437.db2.gz ZNQNEXBAZXCAHE-JQWIXIFHSA-N 0 3 300.196 2.353 20 30 DEEDHN C=CCc1cc(CNC[C@](C)(O)CSC)cc(OC)c1O ZINC000120637827 195205752 /nfs/dbraw/zinc/20/57/52/195205752.db2.gz LEYFNNAJMKNGPA-INIZCTEOSA-N 0 3 311.447 2.333 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)c2ccoc2)C1 ZINC001086029078 784338888 /nfs/dbraw/zinc/33/88/88/784338888.db2.gz UMVBTQHWCPYGFS-KLPPZKSPSA-N 0 3 313.195 2.286 20 30 DEEDHN Cc1n[nH]c(C)c1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289690585 221155870 /nfs/dbraw/zinc/15/58/70/221155870.db2.gz FMOUBSOYLUAKET-UHFFFAOYSA-N 0 3 311.433 2.462 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H](CO)C2CCCCC2)cc1 ZINC000543837836 285320264 /nfs/dbraw/zinc/32/02/64/285320264.db2.gz BCYZMNLMOGYTIE-INIZCTEOSA-N 0 3 301.390 2.028 20 30 DEEDHN CO[C@](C)([C@H](C)NCC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000411946745 533354723 /nfs/dbraw/zinc/35/47/23/533354723.db2.gz LLZWYKDKALUXKJ-XJKSGUPXSA-N 0 3 307.438 2.122 20 30 DEEDHN COc1ccc(C2(NCCC(=O)N(C)CCC#N)CC2)cc1 ZINC000341682913 533428049 /nfs/dbraw/zinc/42/80/49/533428049.db2.gz JPLSRKQKDHYPFG-UHFFFAOYSA-N 0 3 301.390 2.036 20 30 DEEDHN COc1ccc(C#N)cc1CN(CCO)[C@H]1CCCSC1 ZINC000340210524 131188905 /nfs/dbraw/zinc/18/89/05/131188905.db2.gz SNDRFSKHLHVQBL-HNNXBMFYSA-N 0 3 306.431 2.257 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000684808481 542667462 /nfs/dbraw/zinc/66/74/62/542667462.db2.gz VNSCVNPLPRXBAB-PMPSAXMXSA-N 0 3 309.454 2.141 20 30 DEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)o1 ZINC000348086379 132863058 /nfs/dbraw/zinc/86/30/58/132863058.db2.gz YZFYQIXDPPDZII-YOEHRIQHSA-N 0 3 324.384 2.311 20 30 DEEDHN Cc1ccccc1CN1CCCN(c2nccnc2C#N)CC1 ZINC000376725799 133305776 /nfs/dbraw/zinc/30/57/76/133305776.db2.gz ISFBDHGMHRGCBB-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000372695841 133362351 /nfs/dbraw/zinc/36/23/51/133362351.db2.gz NXLPRPWZVAIZMB-MSOLQXFVSA-N 0 3 317.408 2.430 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)cc1Cl ZINC000372805744 133366708 /nfs/dbraw/zinc/36/67/08/133366708.db2.gz HRCMYZHDKZIEOH-GDBMZVCRSA-N 0 3 319.792 2.307 20 30 DEEDHN N#Cc1ccc2nc(N3CCN([C@H]4CCC[C@H]4O)CC3)ccc2c1 ZINC000373166714 133380282 /nfs/dbraw/zinc/38/02/82/133380282.db2.gz TVWHXDOHOZWNJP-ZWKOTPCHSA-N 0 3 322.412 2.142 20 30 DEEDHN CC(C)N(Cc1cccnc1)C[C@H]1CNc2c(C#N)cnn2C1 ZINC000563151504 292034689 /nfs/dbraw/zinc/03/46/89/292034689.db2.gz XHHDTXMBLKDMAI-OAHLLOKOSA-N 0 3 310.405 2.102 20 30 DEEDHN C[C@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C1=CCN(C)CC1 ZINC000329856589 404472233 /nfs/dbraw/zinc/47/22/33/404472233.db2.gz YHFXRCQRSNXVQD-JSGCOSHPSA-N 0 3 302.422 2.447 20 30 DEEDHN Cc1cc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1C#N ZINC000550503140 285872183 /nfs/dbraw/zinc/87/21/83/285872183.db2.gz XTBPXQYNHOSYRO-ROUUACIJSA-N 0 3 300.402 2.276 20 30 DEEDHN CC1(C)CN(CCC(=O)Nc2sccc2C#N)CC[C@@H]1O ZINC000314431707 145357921 /nfs/dbraw/zinc/35/79/21/145357921.db2.gz RLUQQBMZTGSZEG-LBPRGKRZSA-N 0 3 307.419 2.041 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN(C)C ZINC000358534970 147151764 /nfs/dbraw/zinc/15/17/64/147151764.db2.gz WIOSVLJPZJIFKO-CQSZACIVSA-N 0 3 302.422 2.430 20 30 DEEDHN N#Cc1cccc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000371254044 148077894 /nfs/dbraw/zinc/07/78/94/148077894.db2.gz QZINYDJTYZSFRK-BWTSREIZSA-N 0 3 317.392 2.418 20 30 DEEDHN CN(C)Cc1ccccc1CNC(=O)COc1ccccc1C#N ZINC000006992597 401734992 /nfs/dbraw/zinc/73/49/92/401734992.db2.gz PMGAMYLIUIITAE-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C(C)C)N(C)C ZINC000110624059 401692596 /nfs/dbraw/zinc/69/25/96/401692596.db2.gz QMXJSTYOEDSPBX-KRWDZBQOSA-N 0 3 317.433 2.119 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000076994646 401802402 /nfs/dbraw/zinc/80/24/02/401802402.db2.gz HZMOBVNRZNFLDD-QGZVFWFLSA-N 0 3 318.392 2.286 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115443973 401828323 /nfs/dbraw/zinc/82/83/23/401828323.db2.gz GEHFOXHYPZDNGP-GOEBONIOSA-N 0 3 315.417 2.126 20 30 DEEDHN Cc1cccc(OCCN(C)CCC(=O)N(C)CCC#N)c1 ZINC000131183471 401845786 /nfs/dbraw/zinc/84/57/86/401845786.db2.gz PJAPKRSZCAFNCE-UHFFFAOYSA-N 0 3 303.406 2.068 20 30 DEEDHN N#CCCn1cc(CNCCn2ccnc2)c(-c2ccccc2)n1 ZINC000078421121 401851153 /nfs/dbraw/zinc/85/11/53/401851153.db2.gz RRPYVEFHIXCDMM-UHFFFAOYSA-N 0 3 320.400 2.450 20 30 DEEDHN C=CC[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000116971486 401866128 /nfs/dbraw/zinc/86/61/28/401866128.db2.gz RZLJNHKIXRYRAE-HRCADAONSA-N 0 3 323.481 2.482 20 30 DEEDHN COc1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1C#N ZINC000135030796 401924531 /nfs/dbraw/zinc/92/45/31/401924531.db2.gz QSKBGRSEFLNULD-ZDUSSCGKSA-N 0 3 301.390 2.044 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000134989280 401923485 /nfs/dbraw/zinc/92/34/85/401923485.db2.gz ROSFMBYQEBDERH-QGZVFWFLSA-N 0 3 319.449 2.490 20 30 DEEDHN C=CCN(CCc1ccccc1)C[C@@H](O)COC1CCOCC1 ZINC000119068439 401923992 /nfs/dbraw/zinc/92/39/92/401923992.db2.gz MIWDEDOBCKHVGG-GOSISDBHSA-N 0 3 319.445 2.274 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812775 401962415 /nfs/dbraw/zinc/96/24/15/401962415.db2.gz QEAKCRLTSXGLSV-QWHCGFSZSA-N 0 3 315.417 2.376 20 30 DEEDHN C=CCNC(=O)CN[C@@](C)(CC)COc1ncccc1Cl ZINC000136234595 401963769 /nfs/dbraw/zinc/96/37/69/401963769.db2.gz DONGOWJOBQBYIQ-HNNXBMFYSA-N 0 3 311.813 2.174 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000121252430 402023577 /nfs/dbraw/zinc/02/35/77/402023577.db2.gz KHNORADNMJPYIE-SJORKVTESA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCCS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000121276230 402025167 /nfs/dbraw/zinc/02/51/67/402025167.db2.gz OOHHPSKAROPFJT-WBVHZDCISA-N 0 3 322.474 2.393 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000152132356 402077583 /nfs/dbraw/zinc/07/75/83/402077583.db2.gz VENZHNWYXQWKCJ-CQSZACIVSA-N 0 3 302.378 2.075 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2OC)CC1 ZINC000102410462 402167196 /nfs/dbraw/zinc/16/71/96/402167196.db2.gz QIZJQEHDZZXONK-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN C[C@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000067707324 402169432 /nfs/dbraw/zinc/16/94/32/402169432.db2.gz WDHNCIJKNPMSNH-OAHLLOKOSA-N 0 3 314.433 2.478 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(C)C)cc1 ZINC000069804609 402244297 /nfs/dbraw/zinc/24/42/97/402244297.db2.gz DXQJRRXOXCWMKK-CYBMUJFWSA-N 0 3 309.431 2.416 20 30 DEEDHN CCCO[C@@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000108397991 402252390 /nfs/dbraw/zinc/25/23/90/402252390.db2.gz XZEURJAYOWNLFV-JKSUJKDBSA-N 0 3 309.454 2.276 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)[nH]1 ZINC000155580003 402261849 /nfs/dbraw/zinc/26/18/49/402261849.db2.gz BCESHUBAQQDZIW-QGZVFWFLSA-N 0 3 308.385 2.453 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCCN(CC)CC1 ZINC000104951276 402206108 /nfs/dbraw/zinc/20/61/08/402206108.db2.gz ZGOATQDQQDWZPD-SFHVURJKSA-N 0 3 318.461 2.182 20 30 DEEDHN CCCCCCCN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000157393375 402294819 /nfs/dbraw/zinc/29/48/19/402294819.db2.gz ZKQHVGVNOCMAID-UHFFFAOYSA-N 0 3 316.453 2.456 20 30 DEEDHN COC(=O)C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000159220149 402319498 /nfs/dbraw/zinc/31/94/98/402319498.db2.gz CHFRABAYSINNEG-UHFFFAOYSA-N 0 3 315.417 2.421 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nnc(C)s1)C(C)C ZINC000185345733 402345882 /nfs/dbraw/zinc/34/58/82/402345882.db2.gz ZOASSMZRNCYWIV-ZDUSSCGKSA-N 0 3 308.451 2.275 20 30 DEEDHN CCOC(=O)N1CC[C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000185774571 402376172 /nfs/dbraw/zinc/37/61/72/402376172.db2.gz ZJPQIISJLYLYBX-DZGCQCFKSA-N 0 3 317.389 2.298 20 30 DEEDHN COC(=O)COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185833015 402381233 /nfs/dbraw/zinc/38/12/33/402381233.db2.gz VCHSFEVNGAGRFT-DZGCQCFKSA-N 0 3 302.374 2.410 20 30 DEEDHN CC(C)(O)CN1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162912156 402436476 /nfs/dbraw/zinc/43/64/76/402436476.db2.gz APBPZLCCKSSSMO-UHFFFAOYSA-N 0 3 307.825 2.100 20 30 DEEDHN C=CCN1CCC(NC(=O)c2noc3c2CCCCC3)CC1 ZINC000186688322 402455675 /nfs/dbraw/zinc/45/56/75/402455675.db2.gz LDYOOAKUURPASD-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1cccc(C#N)c1 ZINC000186769876 402463193 /nfs/dbraw/zinc/46/31/93/402463193.db2.gz SAVOLFXBAUXOIN-CQSZACIVSA-N 0 3 321.446 2.101 20 30 DEEDHN C[C@@H]1CN(CCC2CCN(C(=O)C(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000178254788 402476687 /nfs/dbraw/zinc/47/66/87/402476687.db2.gz UUNNNTPUOCDUHW-GASCZTMLSA-N 0 3 321.465 2.274 20 30 DEEDHN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000329910726 404491862 /nfs/dbraw/zinc/49/18/62/404491862.db2.gz ADJXALDDNMPOGY-XQQFMLRXSA-N 0 3 321.425 2.089 20 30 DEEDHN C#CCOc1ccc([C@H](C)NCCNC(=O)c2ccco2)cc1 ZINC000178490025 402503871 /nfs/dbraw/zinc/50/38/71/402503871.db2.gz ZPBWDIXJMZYAKW-AWEZNQCLSA-N 0 3 312.369 2.372 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000170949084 402544538 /nfs/dbraw/zinc/54/45/38/402544538.db2.gz LAIFLUQYIWGGIL-UHFFFAOYSA-N 0 3 312.373 2.117 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCCOc2ccc(C#N)cc2)C1(C)C ZINC000189995870 402568976 /nfs/dbraw/zinc/56/89/76/402568976.db2.gz FVUMSPUWQWBVGT-AEFFLSMTSA-N 0 3 318.417 2.093 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC[C@@H](OCCO)C2)c1 ZINC000179573637 402595460 /nfs/dbraw/zinc/59/54/60/402595460.db2.gz GMJVBWGRMCMVFC-GOSISDBHSA-N 0 3 318.417 2.342 20 30 DEEDHN CCN1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179864855 402602444 /nfs/dbraw/zinc/60/24/44/402602444.db2.gz GRPJOPAARISRSL-UHFFFAOYSA-N 0 3 309.417 2.096 20 30 DEEDHN C=CCN1CCC(NC(=O)CSCc2ccncc2)CC1 ZINC000171717547 402614315 /nfs/dbraw/zinc/61/43/15/402614315.db2.gz MWZYMXQESPMTMU-UHFFFAOYSA-N 0 3 305.447 2.081 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000171736596 402616701 /nfs/dbraw/zinc/61/67/01/402616701.db2.gz KVZMSWHGSLHVBO-UHFFFAOYSA-N 0 3 301.390 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)N(Cc2cccnc2)C2CC2)CC1 ZINC000171741964 402617418 /nfs/dbraw/zinc/61/74/18/402617418.db2.gz JVTMUWMUANBOAW-UHFFFAOYSA-N 0 3 314.433 2.406 20 30 DEEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000566425793 292238453 /nfs/dbraw/zinc/23/84/53/292238453.db2.gz HDOSOSMVVQQKJF-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc3c(cc2C)OCO3)CC1 ZINC000181575164 402650432 /nfs/dbraw/zinc/65/04/32/402650432.db2.gz BDVUMJHGXWKIIT-UHFFFAOYSA-N 0 3 300.358 2.007 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000174554853 402746820 /nfs/dbraw/zinc/74/68/20/402746820.db2.gz ZCGHMNRLDANBMT-DLBZAZTESA-N 0 3 318.461 2.186 20 30 DEEDHN C[C@@H](O)CN1CCN(CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000192816537 402751449 /nfs/dbraw/zinc/75/14/49/402751449.db2.gz PECCIGRFQDIVAB-HUUCEWRRSA-N 0 3 306.837 2.078 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)c2nccs2)CC1 ZINC000183545308 402775033 /nfs/dbraw/zinc/77/50/33/402775033.db2.gz RSCIEMFFMMPXCB-GFCCVEGCSA-N 0 3 308.451 2.196 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)Cc2ccc(C#N)cc2)c1 ZINC000194855668 402818592 /nfs/dbraw/zinc/81/85/92/402818592.db2.gz DEXHSSTZCGWMMV-UHFFFAOYSA-N 0 3 307.397 2.479 20 30 DEEDHN C[C@@H](Cn1cccn1)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272160707 402904420 /nfs/dbraw/zinc/90/44/20/402904420.db2.gz NRCODCMQBHYXHM-AWEZNQCLSA-N 0 3 320.400 2.334 20 30 DEEDHN COCCOc1ccc(C#N)cc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000184487229 402846338 /nfs/dbraw/zinc/84/63/38/402846338.db2.gz TYIJAQVBESVLDG-ZFWWWQNUSA-N 0 3 303.406 2.478 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCCS(=O)(=O)Cc2ccccc2)C1 ZINC000278188311 402861900 /nfs/dbraw/zinc/86/19/00/402861900.db2.gz FAWVMHKSLHNJBJ-HZPDHXFCSA-N 0 3 306.431 2.273 20 30 DEEDHN C=CCN(C(=O)NCc1cccc(OCCN(C)C)c1)C1CC1 ZINC000271362318 402862777 /nfs/dbraw/zinc/86/27/77/402862777.db2.gz FQGQNWJRLAGVEJ-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCc3sccc3C2)CC1 ZINC000264325379 402867863 /nfs/dbraw/zinc/86/78/63/402867863.db2.gz BXOOITQISPFEED-UHFFFAOYSA-N 0 3 305.447 2.466 20 30 DEEDHN COc1ccc([C@@H](CCC#N)NCCCN2CCOC2=O)cc1 ZINC000278733107 402870021 /nfs/dbraw/zinc/87/00/21/402870021.db2.gz MWRRLRNMFXLXNV-MRXNPFEDSA-N 0 3 317.389 2.472 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CCN(CCOC)C2)cc1OC ZINC000264545735 402887840 /nfs/dbraw/zinc/88/78/40/402887840.db2.gz BRZFMUNTMLOYNL-MRXNPFEDSA-N 0 3 320.433 2.070 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](N2CCCCC2)C1 ZINC000264642333 402891087 /nfs/dbraw/zinc/89/10/87/402891087.db2.gz VUGRSTLNURXJDJ-SJORKVTESA-N 0 3 305.466 2.136 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272516461 402946991 /nfs/dbraw/zinc/94/69/91/402946991.db2.gz PHTIWVUFSAETNY-GOEBONIOSA-N 0 3 315.442 2.203 20 30 DEEDHN C#CCOc1ccccc1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000265909276 402961378 /nfs/dbraw/zinc/96/13/78/402961378.db2.gz XDNOZVMWHJXLNP-JKSUJKDBSA-N 0 3 321.442 2.144 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@](C)(O)CC1 ZINC000279847221 402964324 /nfs/dbraw/zinc/96/43/24/402964324.db2.gz AXJALWQTRUIAHE-KRWDZBQOSA-N 0 3 304.390 2.183 20 30 DEEDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000265425036 402917660 /nfs/dbraw/zinc/91/76/60/402917660.db2.gz SFDULCHFHHHSFG-CYBMUJFWSA-N 0 3 322.796 2.054 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC#Cc1ccccc1 ZINC000273341164 402995681 /nfs/dbraw/zinc/99/56/81/402995681.db2.gz AKYHXBTWYQTVQC-INIZCTEOSA-N 0 3 313.445 2.410 20 30 DEEDHN C=CCOc1ccccc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267074270 403012981 /nfs/dbraw/zinc/01/29/81/403012981.db2.gz FDNLJZAONPRBBJ-KRWDZBQOSA-N 0 3 320.458 2.419 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000280710274 403028938 /nfs/dbraw/zinc/02/89/38/403028938.db2.gz UCANRNVEENGIKV-BDJLRTHQSA-N 0 3 322.361 2.380 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCSCC2)cc1 ZINC000280281133 402983184 /nfs/dbraw/zinc/98/31/84/402983184.db2.gz DPXHMZYLGOQJEO-INIZCTEOSA-N 0 3 313.426 2.500 20 30 DEEDHN CC1(C#N)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280308974 402986430 /nfs/dbraw/zinc/98/64/30/402986430.db2.gz NKQUXEVIDMZKMG-MRXNPFEDSA-N 0 3 306.369 2.393 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274210638 403035497 /nfs/dbraw/zinc/03/54/97/403035497.db2.gz NLEDXWXYJTVPIK-BFYDXBDKSA-N 0 3 314.433 2.308 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2nccs2)cc1 ZINC000280983231 403056516 /nfs/dbraw/zinc/05/65/16/403056516.db2.gz SLQUWRLBCHJGCG-HNNXBMFYSA-N 0 3 324.409 2.446 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnn2-c2ccccc2)CC1 ZINC000281066716 403058021 /nfs/dbraw/zinc/05/80/21/403058021.db2.gz ZMTLSWVHNFNFGZ-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000268178997 403058317 /nfs/dbraw/zinc/05/83/17/403058317.db2.gz ICWKWDAKGHBKEJ-UHFFFAOYSA-N 0 3 319.493 2.241 20 30 DEEDHN C=CCCCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000274547868 403066334 /nfs/dbraw/zinc/06/63/34/403066334.db2.gz UHACNGFQFNLIBX-UHFFFAOYSA-N 0 3 303.406 2.159 20 30 DEEDHN CCCCN(CCCO)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281577348 403071516 /nfs/dbraw/zinc/07/15/16/403071516.db2.gz MSNZNHUFUHHJOG-QGZVFWFLSA-N 0 3 313.401 2.252 20 30 DEEDHN Cc1nc([C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n[nH]1 ZINC000268465186 403085511 /nfs/dbraw/zinc/08/55/11/403085511.db2.gz LMCIGKBDXGRBCD-HNNXBMFYSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1n[nH]c([C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n1 ZINC000268465186 403085512 /nfs/dbraw/zinc/08/55/12/403085512.db2.gz LMCIGKBDXGRBCD-HNNXBMFYSA-N 0 3 311.389 2.243 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N(C)CCN(C)C1CC1 ZINC000274775289 403086267 /nfs/dbraw/zinc/08/62/67/403086267.db2.gz DPRULNCZRUJOCM-UHFFFAOYSA-N 0 3 319.380 2.396 20 30 DEEDHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc(C#N)cc1 ZINC000268615124 403099259 /nfs/dbraw/zinc/09/92/59/403099259.db2.gz MAXUIYHJNSBCJN-INIZCTEOSA-N 0 3 310.353 2.452 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000282016020 403113873 /nfs/dbraw/zinc/11/38/73/403113873.db2.gz OVTJKQQRUJIKDO-ROUUACIJSA-N 0 3 314.429 2.312 20 30 DEEDHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000275924437 403132927 /nfs/dbraw/zinc/13/29/27/403132927.db2.gz KEUSBJISYWPFOB-INIZCTEOSA-N 0 3 312.417 2.056 20 30 DEEDHN CC(C)[C@H](CNCc1ccc(C#N)cc1F)N1CCOCC1 ZINC000269397636 403136020 /nfs/dbraw/zinc/13/60/20/403136020.db2.gz FHSLESAACOUHEO-KRWDZBQOSA-N 0 3 305.397 2.144 20 30 DEEDHN C#C[C@@H](NC(=O)NCc1cccc(OCCN(C)C)c1)C(C)C ZINC000282347340 403145370 /nfs/dbraw/zinc/14/53/70/403145370.db2.gz VKNTZMUJDFTWFD-QGZVFWFLSA-N 0 3 317.433 2.084 20 30 DEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000282400996 403150351 /nfs/dbraw/zinc/15/03/51/403150351.db2.gz CQDMCYYZNKRAGT-SJKOYZFVSA-N 0 3 302.374 2.198 20 30 DEEDHN C#Cc1cccc(NC(=O)CN(C)CCCn2ccnc2C)c1 ZINC000270651168 403209232 /nfs/dbraw/zinc/20/92/32/403209232.db2.gz OUZOLCYSEXDHOQ-UHFFFAOYSA-N 0 3 310.401 2.133 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2sc3nccn3c2C)CC1 ZINC000270773952 403223045 /nfs/dbraw/zinc/22/30/45/403223045.db2.gz MLPYJZHPKKLDLL-UHFFFAOYSA-N 0 3 318.446 2.475 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000276499078 403181160 /nfs/dbraw/zinc/18/11/60/403181160.db2.gz BWBTYIGQVCVMAS-WBVHZDCISA-N 0 3 322.474 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C)nc2OCC)CC1 ZINC000277261108 403198880 /nfs/dbraw/zinc/19/88/80/403198880.db2.gz NCVTUANDWDIBSC-UHFFFAOYSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2COc3ccc(F)cc32)CC1 ZINC000342661624 403300354 /nfs/dbraw/zinc/30/03/54/403300354.db2.gz IUMCIAKWOJMQGO-OAHLLOKOSA-N 0 3 319.380 2.209 20 30 DEEDHN Cc1cc(NC(=O)[C@H]2CCCN2C2CCCC2)nn1CCC#N ZINC000271018309 403254159 /nfs/dbraw/zinc/25/41/59/403254159.db2.gz FNSRMRWJAISCAN-OAHLLOKOSA-N 0 3 315.421 2.451 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(C[C@@H]3C(=O)OC)CC2)cc1 ZINC000271186937 403275815 /nfs/dbraw/zinc/27/58/15/403275815.db2.gz NJJUGZOCXVTHJX-QGZVFWFLSA-N 0 3 313.397 2.474 20 30 DEEDHN C=CCN(CCc1ccccc1)C[C@H](O)CO[C@H](C)COC ZINC000277999917 403278219 /nfs/dbraw/zinc/27/82/19/403278219.db2.gz AAZDONAPDBLPSM-AEFFLSMTSA-N 0 3 307.434 2.130 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCc1ccccc1OCCN(C)C ZINC000285247847 403279823 /nfs/dbraw/zinc/27/98/23/403279823.db2.gz RQOPKYZXAKOICP-QGZVFWFLSA-N 0 3 303.406 2.183 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2cnccc2Cl)CC1 ZINC000298115525 403323956 /nfs/dbraw/zinc/32/39/56/403323956.db2.gz MHPOLURNOPTRCC-UHFFFAOYSA-N 0 3 307.825 2.434 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)Nc3cccc(OCC#N)c3)C2)C1 ZINC000292503169 403365064 /nfs/dbraw/zinc/36/50/64/403365064.db2.gz BGCGGOMXMNHTIE-KRWDZBQOSA-N 0 3 314.389 2.148 20 30 DEEDHN C#CCOc1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285616127 403340278 /nfs/dbraw/zinc/34/02/78/403340278.db2.gz XSIUAARWZMNPHE-UHFFFAOYSA-N 0 3 321.442 2.146 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCC[C@@H]3OC(F)F)n2c1 ZINC000342854004 403373489 /nfs/dbraw/zinc/37/34/89/403373489.db2.gz PXTZXNFOWGUIPT-OLZOCXBDSA-N 0 3 306.316 2.456 20 30 DEEDHN CC#CCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285815024 403386600 /nfs/dbraw/zinc/38/66/00/403386600.db2.gz GOHTUDJPLIXFFV-HXUWFJFHSA-N 0 3 311.473 2.292 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000345646127 403417862 /nfs/dbraw/zinc/41/78/62/403417862.db2.gz VLHKPNQTXXJBER-XJKSGUPXSA-N 0 3 308.447 2.328 20 30 DEEDHN Cc1nc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1C#N ZINC000343068128 403451727 /nfs/dbraw/zinc/45/17/27/403451727.db2.gz PNQXXGZCPIJJFN-CHWSQXEVSA-N 0 3 300.406 2.254 20 30 DEEDHN CCOCC(C)(C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000293411079 403465260 /nfs/dbraw/zinc/46/52/60/403465260.db2.gz YZTSQJDNBQLDGE-MRXNPFEDSA-N 0 3 315.417 2.458 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000345761514 403472899 /nfs/dbraw/zinc/47/28/99/403472899.db2.gz LEVXAFRRGOOAMI-GHMZBOCLSA-N 0 3 320.780 2.072 20 30 DEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N(C)C ZINC000299114480 403525316 /nfs/dbraw/zinc/52/53/16/403525316.db2.gz RBMWFRNJXAPOQZ-GFCCVEGCSA-N 0 3 304.394 2.417 20 30 DEEDHN N#Cc1ccc(NC(=O)N2CCCNCC2)cc1C(F)(F)F ZINC000332262296 403532670 /nfs/dbraw/zinc/53/26/70/403532670.db2.gz CFTWHUJOMJYTSQ-UHFFFAOYSA-N 0 3 312.295 2.404 20 30 DEEDHN Oc1ccc(/C=N/[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1O ZINC000299257481 403555766 /nfs/dbraw/zinc/55/57/66/403555766.db2.gz DBUBCWWSYOPECR-GDXCHIGESA-N 0 3 312.369 2.497 20 30 DEEDHN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C(C)C#N ZINC000339920115 403493953 /nfs/dbraw/zinc/49/39/53/403493953.db2.gz CLXROPVNODNYNV-ZFWWWQNUSA-N 0 3 302.374 2.362 20 30 DEEDHN CN1CC=C(CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000343258577 403514736 /nfs/dbraw/zinc/51/47/36/403514736.db2.gz VOOUBUJXFXCXRN-UHFFFAOYSA-N 0 3 301.415 2.294 20 30 DEEDHN CCOC(=O)CCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000346333733 403585723 /nfs/dbraw/zinc/58/57/23/403585723.db2.gz JJSIVDZBWQXWBL-HNNXBMFYSA-N 0 3 302.374 2.171 20 30 DEEDHN C=CCOc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1OC ZINC000346336797 403585812 /nfs/dbraw/zinc/58/58/12/403585812.db2.gz PPDYQHPIQRRHFM-HRCADAONSA-N 0 3 303.402 2.463 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000293867139 403586581 /nfs/dbraw/zinc/58/65/81/403586581.db2.gz BQEVYWVEBFFYFL-KRWDZBQOSA-N 0 3 302.418 2.260 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC000346376596 403586842 /nfs/dbraw/zinc/58/68/42/403586842.db2.gz JLEXRLHHEXKROG-OAHLLOKOSA-N 0 3 302.418 2.358 20 30 DEEDHN C#CCN(C)CCCNC(=O)CO[C@H]1CCCc2ccccc21 ZINC000293877403 403588268 /nfs/dbraw/zinc/58/82/68/403588268.db2.gz CGFNZULGLBICKE-SFHVURJKSA-N 0 3 314.429 2.152 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(C)CCOCC2)CC1 ZINC000346575265 403594899 /nfs/dbraw/zinc/59/48/99/403594899.db2.gz CCEJABQMAXPUBT-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000293848357 403579871 /nfs/dbraw/zinc/57/98/71/403579871.db2.gz AFHFCOMFYZJYPE-KGLIPLIRSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000293851135 403580905 /nfs/dbraw/zinc/58/09/05/403580905.db2.gz ANUFQANBBMRHTB-OAHLLOKOSA-N 0 3 311.429 2.353 20 30 DEEDHN CC(C#N)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000347082877 403615055 /nfs/dbraw/zinc/61/50/55/403615055.db2.gz YHXSQHZUFRZTFZ-MFKMUULPSA-N 0 3 302.765 2.439 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCSc1ccc(OC)cc1 ZINC000293984048 403615994 /nfs/dbraw/zinc/61/59/94/403615994.db2.gz NEQXOSPVGFHRHL-UHFFFAOYSA-N 0 3 320.458 2.249 20 30 DEEDHN C[C@H]1CN(CCCNC(=O)C2(C#N)CCCCC2)CCCO1 ZINC000347128605 403616844 /nfs/dbraw/zinc/61/68/44/403616844.db2.gz HKUVEYWOOHECCS-HNNXBMFYSA-N 0 3 307.438 2.078 20 30 DEEDHN CC(C#N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000347132078 403617480 /nfs/dbraw/zinc/61/74/80/403617480.db2.gz YVNJAOPHMQUJRQ-SECBINFHSA-N 0 3 304.737 2.208 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](CNCc2nc(C)cs2)[C@H](C)C1 ZINC001106068814 782004338 /nfs/dbraw/zinc/00/43/38/782004338.db2.gz PMMXOONHBVRIKQ-UKRRQHHQSA-N 0 3 319.474 2.439 20 30 DEEDHN C[C@H](NC(=O)c1cnccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000343683037 403691106 /nfs/dbraw/zinc/69/11/06/403691106.db2.gz DTHXQMOSWYUHJG-SUMWQHHRSA-N 0 3 308.385 2.374 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(C(F)(F)F)n2)CC1 ZINC000294755064 403729429 /nfs/dbraw/zinc/72/94/29/403729429.db2.gz XSRYESFHRHEFHB-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000294766179 403733419 /nfs/dbraw/zinc/73/34/19/403733419.db2.gz QMXALSPXRQUQCG-FUHWJXTLSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](N2CCCCC2)C1 ZINC000341146067 403794898 /nfs/dbraw/zinc/79/48/98/403794898.db2.gz PCRZWVZHNHVUES-IRXDYDNUSA-N 0 3 307.482 2.360 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CCN(c2ccnc3ccccc32)CC1 ZINC000289291791 403898457 /nfs/dbraw/zinc/89/84/57/403898457.db2.gz HFZLRKPWNPBOAL-HNNXBMFYSA-N 0 3 324.428 2.048 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000361774720 403856152 /nfs/dbraw/zinc/85/61/52/403856152.db2.gz ZDHSPLFLFXOBNE-UONOGXRCSA-N 0 3 318.417 2.473 20 30 DEEDHN N#Cc1cccc(OCCN[C@]2(CO)CCc3ccccc32)c1 ZINC000305233616 403889551 /nfs/dbraw/zinc/88/95/51/403889551.db2.gz MTJAEIDQKJHBHV-IBGZPJMESA-N 0 3 308.381 2.361 20 30 DEEDHN CC(C)(CN1CCOCC1)NCc1ccc(C#N)cc1Cl ZINC000308647967 403960815 /nfs/dbraw/zinc/96/08/15/403960815.db2.gz ODJGKRICGHAFBS-UHFFFAOYSA-N 0 3 307.825 2.412 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](CO)C[C@H]1C ZINC000344118603 403921680 /nfs/dbraw/zinc/92/16/80/403921680.db2.gz CHJNDEDGESGHGH-SOLBZPMBSA-N 0 3 319.445 2.248 20 30 DEEDHN COCCO[C@H]1C[C@@H](CO)CN(CCC2(C#N)CCCCC2)C1 ZINC000411649106 403925533 /nfs/dbraw/zinc/92/55/33/403925533.db2.gz QRYWSEQWPYVVQR-SJORKVTESA-N 0 3 324.465 2.196 20 30 DEEDHN C=C[C@H](C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000362702606 403980864 /nfs/dbraw/zinc/98/08/64/403980864.db2.gz FKSDXLNCZOEPAN-AWEZNQCLSA-N 0 3 317.433 2.017 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCO[C@@H]21 ZINC000567214742 292296901 /nfs/dbraw/zinc/29/69/01/292296901.db2.gz CAZDIRJEQAPNPI-OIISXLGYSA-N 0 3 313.401 2.290 20 30 DEEDHN COc1ccc(CN(C)CCN(C)C)cc1OCCCC#N ZINC000289843207 404001668 /nfs/dbraw/zinc/00/16/68/404001668.db2.gz PNBHAVLAGBDUBY-UHFFFAOYSA-N 0 3 305.422 2.371 20 30 DEEDHN C[C@H]1[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCCN1C ZINC000344282123 404028401 /nfs/dbraw/zinc/02/84/01/404028401.db2.gz IKHYRYJDLRWUJH-XJKSGUPXSA-N 0 3 300.406 2.182 20 30 DEEDHN COC1([C@@H](C)NCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000412020685 404059145 /nfs/dbraw/zinc/05/91/45/404059145.db2.gz LQTULNQWTKIOEA-OAHLLOKOSA-N 0 3 315.417 2.480 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000348398106 404065350 /nfs/dbraw/zinc/06/53/50/404065350.db2.gz HLZPTGHZOUPMGK-RRQGHBQHSA-N 0 3 311.385 2.172 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000328129958 404105284 /nfs/dbraw/zinc/10/52/84/404105284.db2.gz WBQWFZCQJSVYBD-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ncccn1 ZINC000328688759 404131021 /nfs/dbraw/zinc/13/10/21/404131021.db2.gz HTNZFJFWEKPBHW-WDEREUQCSA-N 0 3 303.366 2.084 20 30 DEEDHN CC(C)[C@H](C(=O)NC1CCN(C2CC2)CC1)N1CCCC1=O ZINC000328690925 404133050 /nfs/dbraw/zinc/13/30/50/404133050.db2.gz QZPOXJAMQFRTKN-MRXNPFEDSA-N 0 3 307.438 2.217 20 30 DEEDHN CC(C(=O)N[C@H]1CCC[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000328780028 404150173 /nfs/dbraw/zinc/15/01/73/404150173.db2.gz JALCCGBOXWQZOV-MDZLAQPJSA-N 0 3 303.424 2.114 20 30 DEEDHN C[C@H](CCN1CCN(C)CC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000349378095 404155735 /nfs/dbraw/zinc/15/57/35/404155735.db2.gz KZFDOKIHTPWFAI-HUUCEWRRSA-N 0 3 318.440 2.374 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000296210757 404145042 /nfs/dbraw/zinc/14/50/42/404145042.db2.gz MLVNEDDPBXSSND-DJIMGWMZSA-N 0 3 311.385 2.044 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc3c(c2)COC3)CCSC1 ZINC000329073003 404221478 /nfs/dbraw/zinc/22/14/78/404221478.db2.gz OPLBEVVZXPLXJW-MRXNPFEDSA-N 0 3 321.446 2.480 20 30 DEEDHN CC(C)n1cc([C@@H]2CN([C@@H]3CC[C@H](C#N)C3)C[C@H]2CO)cn1 ZINC000328828141 404157807 /nfs/dbraw/zinc/15/78/07/404157807.db2.gz JUQMAJNQTBWXIE-LLLHUVSDSA-N 0 3 302.422 2.164 20 30 DEEDHN C[C@H](CNC(=O)N[C@@H]1CCO[C@H]1C1CC1)N1CCC(C)CC1 ZINC000328894041 404169357 /nfs/dbraw/zinc/16/93/57/404169357.db2.gz VMTHAXRPSKLWSK-BMFZPTHFSA-N 0 3 309.454 2.178 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000329014442 404200270 /nfs/dbraw/zinc/20/02/70/404200270.db2.gz JKGNDRFUMSQKSW-RRFJBIMHSA-N 0 3 320.437 2.329 20 30 DEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000355111441 404224625 /nfs/dbraw/zinc/22/46/25/404224625.db2.gz RBJBYFBGWYAUME-OAHLLOKOSA-N 0 3 300.406 2.194 20 30 DEEDHN COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329084613 404224765 /nfs/dbraw/zinc/22/47/65/404224765.db2.gz FVBVKYNJFQRBCV-LBPRGKRZSA-N 0 3 305.378 2.117 20 30 DEEDHN CC#CCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000355153245 404248660 /nfs/dbraw/zinc/24/86/60/404248660.db2.gz CVEAUZTUXROZFI-INIZCTEOSA-N 0 3 303.406 2.011 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000352269719 404257872 /nfs/dbraw/zinc/25/78/72/404257872.db2.gz WZAKIYLEMUVYKJ-UHFFFAOYSA-N 0 3 301.365 2.006 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000329196932 404260271 /nfs/dbraw/zinc/26/02/71/404260271.db2.gz UZKMNKVTVTXXJJ-HUUCEWRRSA-N 0 3 317.437 2.276 20 30 DEEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c[nH]1 ZINC000344633528 404275006 /nfs/dbraw/zinc/27/50/06/404275006.db2.gz LJZKKQZFCGTYAO-JTQLQIEISA-N 0 3 308.297 2.168 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)SCC(=O)N2)c1ccncn1 ZINC000355200293 404278054 /nfs/dbraw/zinc/27/80/54/404278054.db2.gz CARMIGYWQINUOX-SNVBAGLBSA-N 0 3 310.338 2.011 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCCF)CC1 ZINC000296510433 404282397 /nfs/dbraw/zinc/28/23/97/404282397.db2.gz UQPZZHLQGNUUCL-UHFFFAOYSA-N 0 3 304.365 2.319 20 30 DEEDHN C[C@@H](NC(=O)c1cccc2c1OCCO2)C1=CCN(C)CC1 ZINC000329265135 404282930 /nfs/dbraw/zinc/28/29/30/404282930.db2.gz CEONSRTVEXXGCE-GFCCVEGCSA-N 0 3 302.374 2.413 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c1 ZINC000364015918 404285654 /nfs/dbraw/zinc/28/56/54/404285654.db2.gz UYRVDABRIJFHJR-MRXNPFEDSA-N 0 3 308.385 2.281 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cccc(Cl)c1 ZINC000296841965 404338897 /nfs/dbraw/zinc/33/88/97/404338897.db2.gz JHVWLUBQWNZAIF-UHFFFAOYSA-N 0 3 307.825 2.437 20 30 DEEDHN CC(C)(C#N)CNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355606894 404353546 /nfs/dbraw/zinc/35/35/46/404353546.db2.gz YMARHJBCILEDAN-INIZCTEOSA-N 0 3 314.433 2.357 20 30 DEEDHN N#CC(C(=O)c1ccc2nncn2c1)c1nc2ccccc2[nH]1 ZINC000355637865 404356413 /nfs/dbraw/zinc/35/64/13/404356413.db2.gz JBYBRCVNJUQUFR-NSHDSACASA-N 0 3 302.297 2.096 20 30 DEEDHN CN(C)C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)cc1 ZINC000290754201 404296812 /nfs/dbraw/zinc/29/68/12/404296812.db2.gz ZOQDVJWOJAISRS-HNNXBMFYSA-N 0 3 300.337 2.058 20 30 DEEDHN Cn1cc(C[C@H]2CCN(CCOc3ccccc3C#N)C2)cn1 ZINC000370014713 404304964 /nfs/dbraw/zinc/30/49/64/404304964.db2.gz ZSOWVPIZVNVLGP-OAHLLOKOSA-N 0 3 310.401 2.235 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnccc1C#N ZINC000342107836 404372118 /nfs/dbraw/zinc/37/21/18/404372118.db2.gz RTGDEKYRJNUCLJ-MCIONIFRSA-N 0 3 300.406 2.049 20 30 DEEDHN CCCN(CCN(C)C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000344832283 404392774 /nfs/dbraw/zinc/39/27/74/404392774.db2.gz PKWMQROWRBZRQT-CQSZACIVSA-N 0 3 303.406 2.126 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000356276187 404419254 /nfs/dbraw/zinc/41/92/54/404419254.db2.gz IMZMPTQYSNSQPB-QGTPRVQTSA-N 0 3 304.434 2.430 20 30 DEEDHN CC(=O)N1CCC(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000329975675 404512548 /nfs/dbraw/zinc/51/25/48/404512548.db2.gz ZVVOZYVOYHFPTH-MRXNPFEDSA-N 0 3 307.438 2.218 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329751149 404440140 /nfs/dbraw/zinc/44/01/40/404440140.db2.gz VKQMQERSHHKFIF-GUYCJALGSA-N 0 3 320.437 2.054 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329751149 404440146 /nfs/dbraw/zinc/44/01/46/404440146.db2.gz VKQMQERSHHKFIF-GUYCJALGSA-N 0 3 320.437 2.054 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)c2cccs2)cc1 ZINC000350686568 404444514 /nfs/dbraw/zinc/44/45/14/404444514.db2.gz WZZDNKPEHSQUHM-CQSZACIVSA-N 0 3 323.377 2.301 20 30 DEEDHN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000330195800 404582930 /nfs/dbraw/zinc/58/29/30/404582930.db2.gz ZURJRJAERMVHDC-YVEFUNNKSA-N 0 3 320.437 2.164 20 30 DEEDHN C[C@H](CCC#N)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000351264689 404539141 /nfs/dbraw/zinc/53/91/41/404539141.db2.gz BIMRAKHBUSYHCL-QGZVFWFLSA-N 0 3 300.450 2.433 20 30 DEEDHN C[C@H](NC(=O)NC[C@](C)(O)C1CCCCC1)C1=CCN(C)CC1 ZINC000330058470 404542070 /nfs/dbraw/zinc/54/20/70/404542070.db2.gz ZAEZZVRNVLSZHO-KSSFIOAISA-N 0 3 323.481 2.472 20 30 DEEDHN CCN1CCN(c2cccc(NC(=O)CCCC#N)c2)CC1 ZINC000291837468 404543413 /nfs/dbraw/zinc/54/34/13/404543413.db2.gz FHXFDULFBUHECZ-UHFFFAOYSA-N 0 3 300.406 2.461 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000342382214 404545129 /nfs/dbraw/zinc/54/51/29/404545129.db2.gz QEZNJQDFZSGXKF-IBGZPJMESA-N 0 3 322.412 2.311 20 30 DEEDHN C=CCN1CC[C@@H](NCC(C)(C)c2ccc(OC)cc2)C1=O ZINC000352810018 404638832 /nfs/dbraw/zinc/63/88/32/404638832.db2.gz LETXXAGCQHLKQL-MRXNPFEDSA-N 0 3 302.418 2.349 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@H](C(=O)N(C)C)C2)cc1OC ZINC000414503465 404659367 /nfs/dbraw/zinc/65/93/67/404659367.db2.gz WJHRWLJASPKYSP-HNNXBMFYSA-N 0 3 318.417 2.170 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)CN2[C@H](C)CC[C@@H]2C)cnn1C ZINC000330250641 404601853 /nfs/dbraw/zinc/60/18/53/404601853.db2.gz HHFFOPLKOHGARD-IUPKNAOTSA-N 0 3 320.437 2.388 20 30 DEEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)C(C)C#N ZINC000351510603 404615386 /nfs/dbraw/zinc/61/53/86/404615386.db2.gz GNEPOKVAZAONEL-HTQZYQBOSA-N 0 3 302.300 2.399 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1sccc1Cl ZINC000414429882 404626218 /nfs/dbraw/zinc/62/62/18/404626218.db2.gz VMDZRXKELDHRHW-MRVPVSSYSA-N 0 3 307.824 2.007 20 30 DEEDHN C=CCCC1(C(=O)NCc2ccnc(OCCN(C)C)c2)CC1 ZINC000356628275 404628982 /nfs/dbraw/zinc/62/89/82/404628982.db2.gz UGDQSSHOYXXWRT-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN C[C@@H]1CSC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000352797177 404629271 /nfs/dbraw/zinc/62/92/71/404629271.db2.gz IBMRDAOLAWFYEO-RNCFNFMXSA-N 0 3 309.822 2.491 20 30 DEEDHN C=CCN1CC(=O)N([C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1=O ZINC000365358069 404631005 /nfs/dbraw/zinc/63/10/05/404631005.db2.gz RLZFYUZQNGRUEX-ZBFHGGJFSA-N 0 3 313.401 2.100 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(C)CC1 ZINC000330511746 404676225 /nfs/dbraw/zinc/67/62/25/404676225.db2.gz BKRRICNVSUAXMB-QGZVFWFLSA-N 0 3 315.417 2.172 20 30 DEEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000414556625 404679000 /nfs/dbraw/zinc/67/90/00/404679000.db2.gz KJPFRHRFYUCIOA-KRWDZBQOSA-N 0 3 302.374 2.342 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374170140 404700431 /nfs/dbraw/zinc/70/04/31/404700431.db2.gz IDLQBVXIJIGTGP-TWMKSMIVSA-N 0 3 321.465 2.010 20 30 DEEDHN CC(C#N)C(=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC000358336541 404759699 /nfs/dbraw/zinc/75/96/99/404759699.db2.gz JCQCFFVJLOFRMM-JTQLQIEISA-N 0 3 300.280 2.446 20 30 DEEDHN CN(C)CCN(C(=O)CSCc1ccc(C#N)cc1)C1CC1 ZINC000356870240 404712795 /nfs/dbraw/zinc/71/27/95/404712795.db2.gz FVLMUGZYOBIOSL-UHFFFAOYSA-N 0 3 317.458 2.344 20 30 DEEDHN C=CC[C@@H](CO)CN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000353005153 404717277 /nfs/dbraw/zinc/71/72/77/404717277.db2.gz TUVWCXVQYLRTOB-DYVFJYSZSA-N 0 3 303.381 2.423 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000356959069 404722555 /nfs/dbraw/zinc/72/25/55/404722555.db2.gz AMMGIJUZHHNQTL-NSHDSACASA-N 0 3 309.772 2.283 20 30 DEEDHN N#Cc1ncn(CCNCc2cnc(-c3cccs3)s2)n1 ZINC000353034715 404727970 /nfs/dbraw/zinc/72/79/70/404727970.db2.gz BGXAMGUHLQPMLA-UHFFFAOYSA-N 0 3 316.415 2.125 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](n2cccn2)C1 ZINC000365831154 404727999 /nfs/dbraw/zinc/72/79/99/404727999.db2.gz MHAMNMXEKHJWNH-ZDUSSCGKSA-N 0 3 315.402 2.092 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(O)cc3C2)CC1 ZINC000358811301 404776854 /nfs/dbraw/zinc/77/68/54/404776854.db2.gz AOOBAATVUCDZCF-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359912866 404809343 /nfs/dbraw/zinc/80/93/43/404809343.db2.gz PMPNSSUZSYXRLD-CYBMUJFWSA-N 0 3 312.285 2.244 20 30 DEEDHN C=C(C)CS(=O)(=O)NC1CCN(CC2CCCC2)CC1 ZINC000366683524 404831059 /nfs/dbraw/zinc/83/10/59/404831059.db2.gz XXOCMYWICJCESY-UHFFFAOYSA-N 0 3 300.468 2.137 20 30 DEEDHN C=CCOc1ccccc1CN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000353749996 404955985 /nfs/dbraw/zinc/95/59/85/404955985.db2.gz XGYNWWKXSADORG-GOSISDBHSA-N 0 3 300.402 2.354 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424006461 404967816 /nfs/dbraw/zinc/96/78/16/404967816.db2.gz DSNOSOQHYMBJRN-JKSUJKDBSA-N 0 3 306.381 2.062 20 30 DEEDHN CC(C)NC(=O)Nc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424095340 405004789 /nfs/dbraw/zinc/00/47/89/405004789.db2.gz NECGRDIZOPBBCU-GFCCVEGCSA-N 0 3 317.393 2.176 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000424106554 405009113 /nfs/dbraw/zinc/00/91/13/405009113.db2.gz XUZDFPYHPRMOAP-JYJNAYRXSA-N 0 3 319.380 2.183 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000424116366 405011704 /nfs/dbraw/zinc/01/17/04/405011704.db2.gz BIPNFTUAOAIFPI-WOPDTQHZSA-N 0 3 305.344 2.492 20 30 DEEDHN CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H](N)CCCC#N ZINC000424114408 405011953 /nfs/dbraw/zinc/01/19/53/405011953.db2.gz RAHPLEWSIITADZ-CABCVRRESA-N 0 3 301.390 2.210 20 30 DEEDHN CC(C)c1ccccc1OCCNC(=O)[C@@H](N)CCCC#N ZINC000424118560 405012887 /nfs/dbraw/zinc/01/28/87/405012887.db2.gz BTBCARTZPIYENP-HNNXBMFYSA-N 0 3 303.406 2.326 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000451594664 405014067 /nfs/dbraw/zinc/01/40/67/405014067.db2.gz BJLRPJRGORDNOI-LXZKKBNFSA-N 0 3 300.402 2.287 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1OCC1CC1 ZINC000424135052 405018658 /nfs/dbraw/zinc/01/86/58/405018658.db2.gz YWDWXQGPAGAGMP-HNNXBMFYSA-N 0 3 301.390 2.113 20 30 DEEDHN CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424142183 405019657 /nfs/dbraw/zinc/01/96/57/405019657.db2.gz DKJLHGCALUXDOC-OLZOCXBDSA-N 0 3 313.405 2.255 20 30 DEEDHN CCN(CCCNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424145012 405021130 /nfs/dbraw/zinc/02/11/30/405021130.db2.gz YGAXUJKBEAPXRY-INIZCTEOSA-N 0 3 302.422 2.040 20 30 DEEDHN Cn1c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2nc1C1CC1 ZINC000424164017 405026777 /nfs/dbraw/zinc/02/67/77/405026777.db2.gz BIWLMEXIJRWIEH-ZDUSSCGKSA-N 0 3 311.389 2.410 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000424164313 405026843 /nfs/dbraw/zinc/02/68/43/405026843.db2.gz CBIBTHPOVRCFEE-BHYGNILZSA-N 0 3 315.417 2.292 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCN([C@@H](C)c3ccccc3)C2)nn1 ZINC000424168939 405028693 /nfs/dbraw/zinc/02/86/93/405028693.db2.gz GYTGBBGYPVCTPI-DOTOQJQBSA-N 0 3 311.433 2.389 20 30 DEEDHN CCn1c2ccc(F)cc2nc1NC(=O)[C@H](N)CCCC#N ZINC000424171037 405028830 /nfs/dbraw/zinc/02/88/30/405028830.db2.gz LBNSJCZMASQUKC-LLVKDONJSA-N 0 3 303.341 2.155 20 30 DEEDHN COc1ccc(C[C@H](C)CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424178927 405030957 /nfs/dbraw/zinc/03/09/57/405030957.db2.gz XUXXYNSTBRVDKG-XJKSGUPXSA-N 0 3 303.406 2.011 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000424181371 405032166 /nfs/dbraw/zinc/03/21/66/405032166.db2.gz QXQFHKJXVLFOTG-HNNXBMFYSA-N 0 3 309.360 2.425 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000424189225 405033278 /nfs/dbraw/zinc/03/32/78/405033278.db2.gz MCUNXKJPWWBDAD-AWEZNQCLSA-N 0 3 316.380 2.162 20 30 DEEDHN COc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OC(C)C ZINC000424190735 405035604 /nfs/dbraw/zinc/03/56/04/405035604.db2.gz OTQCKMOSRIZUIF-ZDUSSCGKSA-N 0 3 305.378 2.442 20 30 DEEDHN N#Cc1cccc(NCC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000397554561 405058650 /nfs/dbraw/zinc/05/86/50/405058650.db2.gz JDEZSJMPAVREMP-UHFFFAOYSA-N 0 3 322.412 2.392 20 30 DEEDHN COC[C@@H]1CCCCN1CCOc1ccc(C#N)cc1OC ZINC000452044088 405138036 /nfs/dbraw/zinc/13/80/36/405138036.db2.gz VXGSZSYSAJMZQH-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000361658076 405185855 /nfs/dbraw/zinc/18/58/55/405185855.db2.gz OLCUXRLNIZGKFC-QGZVFWFLSA-N 0 3 312.413 2.157 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCc1ccncc1OCCN(C)C ZINC000424836890 405193222 /nfs/dbraw/zinc/19/32/22/405193222.db2.gz XPSNBHMEMUAGOX-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C=CCC[C@H]1NC(=O)N(C[C@@H](c2ccccc2)N(C)C)C1=O ZINC000419912759 405271179 /nfs/dbraw/zinc/27/11/79/405271179.db2.gz JYQPQNFFQLYVDG-CABCVRRESA-N 0 3 301.390 2.176 20 30 DEEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000568503306 292345345 /nfs/dbraw/zinc/34/53/45/292345345.db2.gz NOJRFXSBTWKIHB-AWEZNQCLSA-N 0 3 307.401 2.408 20 30 DEEDHN CO[C@@H](CC(C)C)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000419284732 405234898 /nfs/dbraw/zinc/23/48/98/405234898.db2.gz TYJCSQSELWLLKV-CVEARBPZSA-N 0 3 303.406 2.467 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368427439 405240012 /nfs/dbraw/zinc/24/00/12/405240012.db2.gz UZLZRCJKCDVAQN-DLBZAZTESA-N 0 3 307.482 2.216 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368427442 405240498 /nfs/dbraw/zinc/24/04/98/405240498.db2.gz UZLZRCJKCDVAQN-SJORKVTESA-N 0 3 307.482 2.216 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425638156 405309407 /nfs/dbraw/zinc/30/94/07/405309407.db2.gz ZMZDWVHERITIBI-DZGCQCFKSA-N 0 3 316.405 2.441 20 30 DEEDHN C=CCC1(CNC(=O)N[C@@H]2CCN(CCOC)C2)CCCC1 ZINC000454530510 405358326 /nfs/dbraw/zinc/35/83/26/405358326.db2.gz BBVYWZMMOYOYFH-OAHLLOKOSA-N 0 3 309.454 2.143 20 30 DEEDHN C=CC[C@@H]1N(C(=O)NCCN(C)CCOC)CCCC1(C)C ZINC000445034594 405343044 /nfs/dbraw/zinc/34/30/44/405343044.db2.gz RUORLGAHWWASQF-HNNXBMFYSA-N 0 3 311.470 2.341 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1CCCN(C(C)C)CC1 ZINC000453425528 405291362 /nfs/dbraw/zinc/29/13/62/405291362.db2.gz NFQDVUMKUWDDGB-HNNXBMFYSA-N 0 3 319.453 2.236 20 30 DEEDHN COc1cc(N[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc(OC)c1 ZINC000427014423 405385887 /nfs/dbraw/zinc/38/58/87/405385887.db2.gz ZGZCQBFYSPHCPS-QWHCGFSZSA-N 0 3 317.389 2.266 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000427525999 405410519 /nfs/dbraw/zinc/41/05/19/405410519.db2.gz BAKNBIHYDLMKKG-MNOVXSKESA-N 0 3 314.307 2.132 20 30 DEEDHN C=C(CC)CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000454546320 405361719 /nfs/dbraw/zinc/36/17/19/405361719.db2.gz KASZEBXWSKAKSP-UHFFFAOYSA-N 0 3 301.434 2.351 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc(C#N)cs1 ZINC000426556622 405368894 /nfs/dbraw/zinc/36/88/94/405368894.db2.gz CMNANNVNRQVBCR-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000448676721 405435124 /nfs/dbraw/zinc/43/51/24/405435124.db2.gz ULYUFKFZAKTFIM-MSOLQXFVSA-N 0 3 314.429 2.142 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(Cl)cn1 ZINC000429716830 405445304 /nfs/dbraw/zinc/44/53/04/405445304.db2.gz LDEHJEXQUUDGLY-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN CN(C)CCOCCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455729990 405446947 /nfs/dbraw/zinc/44/69/47/405446947.db2.gz KFIIYNCXBZWTGR-UHFFFAOYSA-N 0 3 324.812 2.106 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCCN1C ZINC000455778344 405449557 /nfs/dbraw/zinc/44/95/57/405449557.db2.gz GLKIJCMMYWPTEX-SKDRFNHKSA-N 0 3 307.785 2.211 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633160107 405474536 /nfs/dbraw/zinc/47/45/36/405474536.db2.gz QWNLMNWOMUQYQM-QGZVFWFLSA-N 0 3 317.433 2.071 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000421711593 405606704 /nfs/dbraw/zinc/60/67/04/405606704.db2.gz OXQXGZWHZNTZMP-OAHLLOKOSA-N 0 3 315.417 2.268 20 30 DEEDHN C=CCC1(NC(=O)c2cnn(CCN(C)C)c2)CCCCC1 ZINC000633332544 405575663 /nfs/dbraw/zinc/57/56/63/405575663.db2.gz MPMZWJFZTXFLKY-UHFFFAOYSA-N 0 3 304.438 2.454 20 30 DEEDHN CO[C@H]1CCN(C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000528515792 405646649 /nfs/dbraw/zinc/64/66/49/405646649.db2.gz CSNIHKITOGLVPU-RDJZCZTQSA-N 0 3 318.417 2.045 20 30 DEEDHN Cc1sc(NC(=O)CN[C@@]2(C)CCO[C@@H]2C)c(C#N)c1C ZINC000494283610 405671807 /nfs/dbraw/zinc/67/18/07/405671807.db2.gz XMAJWBRCPICYEZ-ABAIWWIYSA-N 0 3 307.419 2.332 20 30 DEEDHN COCCc1noc(CC2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000528628398 405688594 /nfs/dbraw/zinc/68/85/94/405688594.db2.gz RRJNTUUGXFFPMY-GJZGRUSLSA-N 0 3 318.421 2.205 20 30 DEEDHN CC(C#N)C(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC000633710279 405804183 /nfs/dbraw/zinc/80/41/83/405804183.db2.gz XRCLWSCBVAJIKA-SSDOTTSWSA-N 0 3 313.126 2.047 20 30 DEEDHN C=CCC1(C(=O)NCC2CCN(CCO)CC2)CCCCC1 ZINC000450167408 405765056 /nfs/dbraw/zinc/76/50/56/405765056.db2.gz DLMNQUUMHIVQGF-UHFFFAOYSA-N 0 3 308.466 2.334 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCC2=CCN(C)CC2)cc1 ZINC000450421796 405888517 /nfs/dbraw/zinc/88/85/17/405888517.db2.gz UFPSJOJJTUWPBJ-UHFFFAOYSA-N 0 3 300.402 2.172 20 30 DEEDHN CC(C#N)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000495263486 405858524 /nfs/dbraw/zinc/85/85/24/405858524.db2.gz GYQJMXJTYWETJF-LBPRGKRZSA-N 0 3 309.410 2.299 20 30 DEEDHN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)CCN(C2CCC2)C1 ZINC000561536106 405936655 /nfs/dbraw/zinc/93/66/55/405936655.db2.gz VEMKUHODRXXDAH-HNNXBMFYSA-N 0 3 311.429 2.434 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCc2cccc(C#N)c2)C1 ZINC000457673958 405946132 /nfs/dbraw/zinc/94/61/32/405946132.db2.gz MDQQWZWLHGOTQH-MRXNPFEDSA-N 0 3 300.406 2.182 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495442331 405900173 /nfs/dbraw/zinc/90/01/73/405900173.db2.gz FNAJOVJTLHVVCK-LRDDRELGSA-N 0 3 307.394 2.006 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)NC(C)(C)C ZINC000433307174 405918300 /nfs/dbraw/zinc/91/83/00/405918300.db2.gz USUQQFUXXDTZBS-ZFWWWQNUSA-N 0 3 315.417 2.178 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C12CCC2 ZINC000459740695 406027964 /nfs/dbraw/zinc/02/79/64/406027964.db2.gz BODDJWBTNDXLCW-UHOFOFEASA-N 0 3 313.401 2.432 20 30 DEEDHN C[C@H]1CN(C(=O)NCC(C)(C)CC#N)CCN(C2CCC2)C1 ZINC000514716035 406054426 /nfs/dbraw/zinc/05/44/26/406054426.db2.gz UNOUUMWDASOBLJ-CQSZACIVSA-N 0 3 306.454 2.442 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OC(C)C)C2)CC1 ZINC000564893384 406068440 /nfs/dbraw/zinc/06/84/40/406068440.db2.gz NGZGLDKALCBACU-MRXNPFEDSA-N 0 3 309.454 2.236 20 30 DEEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)C1CCC1 ZINC000567696881 406122187 /nfs/dbraw/zinc/12/21/87/406122187.db2.gz JSGUMFGQDIFPNJ-UHFFFAOYSA-N 0 3 321.446 2.143 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000632617290 406201262 /nfs/dbraw/zinc/20/12/62/406201262.db2.gz UMIKSNIAJYSJAV-WBVHZDCISA-N 0 3 322.474 2.250 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639748898 406232759 /nfs/dbraw/zinc/23/27/59/406232759.db2.gz HJQIQQFMPKHHSQ-HOTGVXAUSA-N 0 3 307.482 2.238 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639752922 406235883 /nfs/dbraw/zinc/23/58/83/406235883.db2.gz XTLZGZQQMRMTHL-HOTGVXAUSA-N 0 3 309.498 2.462 20 30 DEEDHN CSCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)C ZINC000352495017 286671085 /nfs/dbraw/zinc/67/10/85/286671085.db2.gz HXJQBOURPFESFO-SWLSCSKDSA-N 0 3 305.447 2.419 20 30 DEEDHN CCCN(CCN1CCCCC1)C(=O)c1cnccc1C#N ZINC000487723252 406258871 /nfs/dbraw/zinc/25/88/71/406258871.db2.gz SJLSTKLUJDICRK-UHFFFAOYSA-N 0 3 300.406 2.291 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000521033670 406327749 /nfs/dbraw/zinc/32/77/49/406327749.db2.gz VUXLCAVXWIVBGA-ZTFGCOKTSA-N 0 3 318.417 2.108 20 30 DEEDHN C[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000521733602 406363221 /nfs/dbraw/zinc/36/32/21/406363221.db2.gz DYLWAAQCLXKINX-HIFRSBDPSA-N 0 3 300.406 2.260 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000488914693 406360476 /nfs/dbraw/zinc/36/04/76/406360476.db2.gz UUROTHSJKDZRKS-HZPDHXFCSA-N 0 3 319.474 2.326 20 30 DEEDHN COc1cc(CNCCC(=O)Nc2ccc(C)cn2)ccc1C#N ZINC000522058674 406387952 /nfs/dbraw/zinc/38/79/52/406387952.db2.gz UMCIJJKZDJQDLV-UHFFFAOYSA-N 0 3 324.384 2.389 20 30 DEEDHN C=C[C@H]1CCCCN1CCC(=O)NC(=O)NCc1ccccc1 ZINC000489412890 406403235 /nfs/dbraw/zinc/40/32/35/406403235.db2.gz XVANBPQAWINFIB-INIZCTEOSA-N 0 3 315.417 2.443 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000490574482 406471483 /nfs/dbraw/zinc/47/14/83/406471483.db2.gz YOHVEYRBWWILQF-CZUORRHYSA-N 0 3 300.402 2.364 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000491122161 406531520 /nfs/dbraw/zinc/53/15/20/406531520.db2.gz TZRCWZPOOKYIQX-LRDDRELGSA-N 0 3 308.809 2.145 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000491201717 406543689 /nfs/dbraw/zinc/54/36/89/406543689.db2.gz IWUHJNAJEIJRPM-CQSZACIVSA-N 0 3 320.820 2.323 20 30 DEEDHN C#C[C@@H](CC)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000491232147 406550136 /nfs/dbraw/zinc/55/01/36/406550136.db2.gz YSIJUUXVGQKZRK-KRWDZBQOSA-N 0 3 313.445 2.405 20 30 DEEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000491252413 406553742 /nfs/dbraw/zinc/55/37/42/406553742.db2.gz HXEHQFOHPUDYLD-NEPJUHHUSA-N 0 3 301.308 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)cc1OC(F)F ZINC000491309498 406566496 /nfs/dbraw/zinc/56/64/96/406566496.db2.gz ZILYTZDKZHMCEG-UHFFFAOYSA-N 0 3 314.307 2.112 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000490897638 406505078 /nfs/dbraw/zinc/50/50/78/406505078.db2.gz DJIAVHPWCMSBFY-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCCN(c2ccncc2)CC1)OCC ZINC000640446006 406505501 /nfs/dbraw/zinc/50/55/01/406505501.db2.gz PYLOUZGURLTTRJ-KRWDZBQOSA-N 0 3 317.433 2.492 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@H](C)N(C)C)c1ccc(Cl)cc1F ZINC000491462081 406598646 /nfs/dbraw/zinc/59/86/46/406598646.db2.gz GXWGQTFLSUAIGX-HZMBPMFUSA-N 0 3 311.788 2.403 20 30 DEEDHN C#CCN1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000491474280 406600340 /nfs/dbraw/zinc/60/03/40/406600340.db2.gz LKFLLURNLFZFEI-CVEARBPZSA-N 0 3 322.449 2.404 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000569218323 292398407 /nfs/dbraw/zinc/39/84/07/292398407.db2.gz ZJWXDIBZWVINDI-DOTOQJQBSA-N 0 3 313.401 2.388 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000549087604 406575836 /nfs/dbraw/zinc/57/58/36/406575836.db2.gz WJGRMSYKVHYPRV-QGZVFWFLSA-N 0 3 322.412 2.164 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccccc2-c2cn[nH]c2)CC1 ZINC000635531113 406577347 /nfs/dbraw/zinc/57/73/47/406577347.db2.gz OAEWEDBWSHEZPJ-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C#C[C@H](CCC)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000491381476 406581327 /nfs/dbraw/zinc/58/13/27/406581327.db2.gz FMOFGEMUURAJAB-MRXNPFEDSA-N 0 3 317.433 2.228 20 30 DEEDHN C#CCN(C)CCCNC(=S)N[C@H](C)Cc1ccccc1 ZINC000491407194 406587012 /nfs/dbraw/zinc/58/70/12/406587012.db2.gz QPLTXFKTOVYDHJ-OAHLLOKOSA-N 0 3 303.475 2.037 20 30 DEEDHN C#C[C@H](NCc1c(C)nn(CC(=O)OCC)c1C)C(C)(C)C ZINC000491739740 406696318 /nfs/dbraw/zinc/69/63/18/406696318.db2.gz PYTUETOGZHSCKU-HNNXBMFYSA-N 0 3 305.422 2.201 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000491742506 406697123 /nfs/dbraw/zinc/69/71/23/406697123.db2.gz QKSIKCACQUMCPR-GXTWGEPZSA-N 0 3 310.319 2.290 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000491749671 406702096 /nfs/dbraw/zinc/70/20/96/406702096.db2.gz ZNJHSEWICREWBC-DOTOQJQBSA-N 0 3 300.377 2.143 20 30 DEEDHN C#CCN(C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000491641960 406647332 /nfs/dbraw/zinc/64/73/32/406647332.db2.gz USXBYZZKQAXSFS-UHFFFAOYSA-N 0 3 311.429 2.458 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccnc(Cl)c1 ZINC000491766611 406707357 /nfs/dbraw/zinc/70/73/57/406707357.db2.gz FRABOAVHHXWLCB-LBPRGKRZSA-N 0 3 308.813 2.050 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](c1ccc(Cl)cc1)N(C)C ZINC000491765153 406707737 /nfs/dbraw/zinc/70/77/37/406707737.db2.gz BUDKVRQDOSTEND-INIZCTEOSA-N 0 3 321.852 2.014 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000491776925 406714256 /nfs/dbraw/zinc/71/42/56/406714256.db2.gz CUWKHMYDBHIFNS-KRWDZBQOSA-N 0 3 318.461 2.330 20 30 DEEDHN CN1CCN(CCCCNc2nccc(C#N)c2Cl)CC1 ZINC000552939563 406728637 /nfs/dbraw/zinc/72/86/37/406728637.db2.gz PUDHWWNDPRWIFY-UHFFFAOYSA-N 0 3 307.829 2.046 20 30 DEEDHN N#CCNC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000574755715 406785924 /nfs/dbraw/zinc/78/59/24/406785924.db2.gz FDCPYBAESIOUMZ-OAHLLOKOSA-N 0 3 303.431 2.024 20 30 DEEDHN N#CCNC(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000574755714 406786275 /nfs/dbraw/zinc/78/62/75/406786275.db2.gz FDCPYBAESIOUMZ-HNNXBMFYSA-N 0 3 303.431 2.024 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000577154585 406835350 /nfs/dbraw/zinc/83/53/50/406835350.db2.gz VFXLZYZCPSYLOP-FPCVCCKLSA-N 0 3 309.454 2.282 20 30 DEEDHN C=CCC[C@@H](CO)NCc1ccnn1-c1ccccc1OC ZINC000641760334 406886493 /nfs/dbraw/zinc/88/64/93/406886493.db2.gz PTGHOCBIORELAI-AWEZNQCLSA-N 0 3 301.390 2.298 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1cc(CO)cc(C)n1)C(C)C ZINC000647854308 407062322 /nfs/dbraw/zinc/06/23/22/407062322.db2.gz KXUSLQUBHSSQKG-KRWDZBQOSA-N 0 3 303.450 2.415 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC3(C[C@H]2C)CCOCC3)CC1 ZINC000645232639 407251054 /nfs/dbraw/zinc/25/10/54/407251054.db2.gz KLVAAORFMNNODI-OAHLLOKOSA-N 0 3 321.465 2.237 20 30 DEEDHN CC(=O)c1ccc(C#N)c(N2CCOC3(CCN(C)CC3)C2)c1 ZINC000645385415 407272480 /nfs/dbraw/zinc/27/24/80/407272480.db2.gz VKZYBJWNTAJQCO-UHFFFAOYSA-N 0 3 313.401 2.062 20 30 DEEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000571208481 292533736 /nfs/dbraw/zinc/53/37/36/292533736.db2.gz DHUQMGJPWACCET-SJORKVTESA-N 0 3 319.368 2.003 20 30 DEEDHN CC[C@@H](CSC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000132634841 196272419 /nfs/dbraw/zinc/27/24/19/196272419.db2.gz TWGQWUBUYRAQKW-ZDUSSCGKSA-N 0 3 312.460 2.063 20 30 DEEDHN C#CCOc1ccc(Br)cc1CNCC1(O)CCC1 ZINC000134519107 196398116 /nfs/dbraw/zinc/39/81/16/196398116.db2.gz KOOIISSEIBBGKV-UHFFFAOYSA-N 0 3 324.218 2.466 20 30 DEEDHN Cc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1[N+](=O)[O-] ZINC000181839339 224908852 /nfs/dbraw/zinc/90/88/52/224908852.db2.gz NDDLKMPJWJJULE-CYBMUJFWSA-N 0 3 318.377 2.316 20 30 DEEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(=O)[nH]1 ZINC000190951765 225099245 /nfs/dbraw/zinc/09/92/45/225099245.db2.gz FIUHZDDLIHDCRD-LBPRGKRZSA-N 0 3 304.309 2.117 20 30 DEEDHN Cc1nc(CON=C(N)c2ccc(CN(C)C)cc2)cs1 ZINC000267001862 225342101 /nfs/dbraw/zinc/34/21/01/225342101.db2.gz HPHDHBDRMZIILJ-UHFFFAOYSA-N 0 3 304.419 2.350 20 30 DEEDHN CN(C(=O)CN1CCC[C@@]1(C)CCCO)C1(C#N)CCCCC1 ZINC000330612732 226016484 /nfs/dbraw/zinc/01/64/84/226016484.db2.gz RGWFMFOJDHSEPV-KRWDZBQOSA-N 0 3 321.465 2.298 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000338927424 226175973 /nfs/dbraw/zinc/17/59/73/226175973.db2.gz ZZRFFWZIGOAQDB-KGLIPLIRSA-N 0 3 319.371 2.265 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)nc(C)n1 ZINC000337540036 226137734 /nfs/dbraw/zinc/13/77/34/226137734.db2.gz PUFFVMWWPLFZSZ-LBPRGKRZSA-N 0 3 321.340 2.176 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCc2ccc(NC(=O)[C@H](C)C#N)cc21 ZINC000337619772 226139980 /nfs/dbraw/zinc/13/99/80/226139980.db2.gz NPZPBKWACXKHRB-XHBSWPGZSA-N 0 3 324.384 2.438 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)cc1 ZINC000340632926 226204421 /nfs/dbraw/zinc/20/44/21/226204421.db2.gz BLRKZPMPIVXEDS-MRXNPFEDSA-N 0 3 321.446 2.061 20 30 DEEDHN CC(C#N)C(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000347142100 226631330 /nfs/dbraw/zinc/63/13/30/226631330.db2.gz VXIDLGHECVMELA-NWDGAFQWSA-N 0 3 307.344 2.330 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCO3)CC2)cc1 ZINC000374469756 227135355 /nfs/dbraw/zinc/13/53/55/227135355.db2.gz YIZSRDMEJGZPQG-MRXNPFEDSA-N 0 3 309.369 2.022 20 30 DEEDHN CCCN(C(=O)Nc1cc(C)c(C#N)cn1)[C@@H]1CCN(C)C1 ZINC000603110996 422443323 /nfs/dbraw/zinc/44/33/23/422443323.db2.gz HTMWWCULQKHZOB-CQSZACIVSA-N 0 3 301.394 2.210 20 30 DEEDHN Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)ncc1C#N ZINC000603113881 422445296 /nfs/dbraw/zinc/44/52/96/422445296.db2.gz WWSKLSUZFBVQPW-LSDHHAIUSA-N 0 3 313.405 2.400 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603118055 422447578 /nfs/dbraw/zinc/44/75/78/422447578.db2.gz FUKBOGCEZGJZDY-CABCVRRESA-N 0 3 313.405 2.352 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccccc1 ZINC001348535343 1151168078 /nfs/dbraw/zinc/16/80/78/1151168078.db2.gz PDZGAGSCBCCSIV-OKZBNKHCSA-N 0 3 314.429 2.014 20 30 DEEDHN CC(C)(CNc1cc(C#N)ncn1)N1CCc2ccccc2C1 ZINC000575939777 424947025 /nfs/dbraw/zinc/94/70/25/424947025.db2.gz KOQUWCROEBVDKN-UHFFFAOYSA-N 0 3 307.401 2.597 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2CCCN(Cc3ccccc3)C2)nc1N ZINC000594547410 425012817 /nfs/dbraw/zinc/01/28/17/425012817.db2.gz MQZOBHLHFLUTEC-INIZCTEOSA-N 0 3 321.428 2.860 20 30 DEEDHN CN1CCC(n2ccc(Nc3nccc(C#N)c3Cl)n2)CC1 ZINC000576419070 424949070 /nfs/dbraw/zinc/94/90/70/424949070.db2.gz MSVGYCYCSNBPFC-UHFFFAOYSA-N 0 3 316.796 2.813 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)OC[C@@H]2CC)CC1 ZINC000650852824 425067075 /nfs/dbraw/zinc/06/70/75/425067075.db2.gz SKHMDDRWBSJGBS-JKSUJKDBSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCCOCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000650862324 425069687 /nfs/dbraw/zinc/06/96/87/425069687.db2.gz XQMQKOSVQDQVQL-SFHVURJKSA-N 0 3 302.418 2.360 20 30 DEEDHN C=CCCn1cc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)nn1 ZINC000653586773 425185329 /nfs/dbraw/zinc/18/53/29/425185329.db2.gz ANFFPJZBOOFCAQ-MAUKXSAKSA-N 0 3 315.465 2.303 20 30 DEEDHN C=CC[C@@H]1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000651741346 425145355 /nfs/dbraw/zinc/14/53/55/425145355.db2.gz HIBBVMLQTHGBQS-CHWSQXEVSA-N 0 3 314.476 2.361 20 30 DEEDHN C=CCN(C(=O)NCCN(C)Cc1ccccc1)[C@H](C)COC ZINC000663785461 425236245 /nfs/dbraw/zinc/23/62/45/425236245.db2.gz IBLLJYZDTNWTCK-MRXNPFEDSA-N 0 3 319.449 2.351 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652455169 425272051 /nfs/dbraw/zinc/27/20/51/425272051.db2.gz ZZWNSFAFIVCJHT-UHFFFAOYSA-N 0 3 323.481 2.136 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000661037850 425304382 /nfs/dbraw/zinc/30/43/82/425304382.db2.gz WCQXTSSKGZCSHV-SJORKVTESA-N 0 3 322.497 2.010 20 30 DEEDHN CCOC(=O)N1CCC([C@@H](C)NCc2ccc(C#N)cn2)CC1 ZINC000496189543 267122960 /nfs/dbraw/zinc/12/29/60/267122960.db2.gz NDNJBLNPNZCRFI-CYBMUJFWSA-N 0 3 316.405 2.300 20 30 DEEDHN C=CC[C@H]1CCCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000661380520 425394934 /nfs/dbraw/zinc/39/49/34/425394934.db2.gz NIAGJTDSVCQNAM-HOCLYGCPSA-N 0 3 302.422 2.204 20 30 DEEDHN C=CCCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000661570518 425444862 /nfs/dbraw/zinc/44/48/62/425444862.db2.gz GWEPXCVMQYDEHX-UHFFFAOYSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000664759324 425449890 /nfs/dbraw/zinc/44/98/90/425449890.db2.gz SZMBXNLKZJKKOX-IAGOWNOFSA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCOCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661796489 425503098 /nfs/dbraw/zinc/50/30/98/425503098.db2.gz XWACJEVXNCETOA-QGZVFWFLSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCOCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659040305 425524134 /nfs/dbraw/zinc/52/41/34/425524134.db2.gz LNMHQXLHPXWZGC-INIZCTEOSA-N 0 3 319.405 2.062 20 30 DEEDHN C=CCCC1(CNC(=O)NC[C@](C)(O)CN(C)C)CCCC1 ZINC000665589456 425602448 /nfs/dbraw/zinc/60/24/48/425602448.db2.gz VSZGYKVIIBFBOV-INIZCTEOSA-N 0 3 311.470 2.125 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cccc(N)c2Cl)CC1 ZINC000662447896 425652482 /nfs/dbraw/zinc/65/24/82/425652482.db2.gz CFWRVPLKRSXRMS-UHFFFAOYSA-N 0 3 307.825 2.231 20 30 DEEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000370831727 269084993 /nfs/dbraw/zinc/08/49/93/269084993.db2.gz VXTMZCMTWDHLCU-INIZCTEOSA-N 0 3 320.396 2.026 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1cncc(C#N)n1 ZINC000401295067 269111918 /nfs/dbraw/zinc/11/19/18/269111918.db2.gz NNYKPGSECKDYPW-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCCC1 ZINC000516049947 269356654 /nfs/dbraw/zinc/35/66/54/269356654.db2.gz FMGUPSNJJQETOI-OAHLLOKOSA-N 0 3 321.446 2.285 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCO[C@@H]21 ZINC000516246368 269360478 /nfs/dbraw/zinc/36/04/78/269360478.db2.gz WYTKNZVZXSHYAO-UAGQMJEPSA-N 0 3 313.401 2.290 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000516849823 269370202 /nfs/dbraw/zinc/37/02/02/269370202.db2.gz QLIZSFNULMMOGS-RISCZKNCSA-N 0 3 304.781 2.379 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)[C@H]1C ZINC001088920464 782046130 /nfs/dbraw/zinc/04/61/30/782046130.db2.gz GDDVUIYAHTWURP-ZJUUUORDSA-N 0 3 316.327 2.197 20 30 DEEDHN CC[C@H](F)CN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC001423396978 1173328610 /nfs/dbraw/zinc/32/86/10/1173328610.db2.gz YQGNMRHRLZNOQF-GXTWGEPZSA-N 0 3 306.385 2.075 20 30 DEEDHN C[C@@H]1OCC[C@@]1(C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000330203603 274421933 /nfs/dbraw/zinc/42/19/33/274421933.db2.gz AYIGLXVHJAFULK-QANKJYHBSA-N 0 3 313.401 2.211 20 30 DEEDHN N#Cc1ccsc1N1CC[C@H](N2C[C@H]3CCC[C@@H]3C2)C1=O ZINC000152707330 274929405 /nfs/dbraw/zinc/92/94/05/274929405.db2.gz SICTYPWQOOUJOO-MCIONIFRSA-N 0 3 301.415 2.457 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000280902471 275430920 /nfs/dbraw/zinc/43/09/20/275430920.db2.gz BRCNTEJWMKVAAX-RYUDHWBXSA-N 0 3 321.446 2.459 20 30 DEEDHN C#CCCCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377539010 276775887 /nfs/dbraw/zinc/77/58/87/276775887.db2.gz BDJBAECEFHRIGN-INIZCTEOSA-N 0 3 321.465 2.027 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)CC1 ZINC000332272114 276894987 /nfs/dbraw/zinc/89/49/87/276894987.db2.gz CJLPGTXDRGQMFU-LSDHHAIUSA-N 0 3 322.453 2.420 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000458808287 277822400 /nfs/dbraw/zinc/82/24/00/277822400.db2.gz HSRLKPRWURCOKH-HNNXBMFYSA-N 0 3 311.470 2.341 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)C(C)C ZINC000417072279 277851154 /nfs/dbraw/zinc/85/11/54/277851154.db2.gz XEDYXCFWSJMDJG-YESZJQIVSA-N 0 3 322.497 2.077 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449548707 277903683 /nfs/dbraw/zinc/90/36/83/277903683.db2.gz PXXSCNFCXGRAQI-MAZHCROVSA-N 0 3 309.431 2.474 20 30 DEEDHN CS[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1N(C)C ZINC000271422832 278158231 /nfs/dbraw/zinc/15/82/31/278158231.db2.gz VHHYMYUZSJWDAF-RKDXNWHRSA-N 0 3 302.856 2.150 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000268136202 279181014 /nfs/dbraw/zinc/18/10/14/279181014.db2.gz JKJMKYYTGQBQTR-INMHGKMJSA-N 0 3 314.433 2.450 20 30 DEEDHN COc1cc(OC)cc(OCCCN(C)CCOCCC#N)c1 ZINC000292731379 295011201 /nfs/dbraw/zinc/01/12/01/295011201.db2.gz GQJMUPORUZWZQU-UHFFFAOYSA-N 0 3 322.405 2.335 20 30 DEEDHN C[C@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)N(C)C1CC1 ZINC000329284585 298244741 /nfs/dbraw/zinc/24/47/41/298244741.db2.gz GDOWQVLSHJPNJV-CZUORRHYSA-N 0 3 319.453 2.344 20 30 DEEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)CN2CCCCC2)no1 ZINC000329391216 302627935 /nfs/dbraw/zinc/62/79/35/302627935.db2.gz RPUKUBNPJXACLH-JSGCOSHPSA-N 0 3 321.425 2.303 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCS(=O)(=O)C1 ZINC000360658653 303201277 /nfs/dbraw/zinc/20/12/77/303201277.db2.gz UMXDQTOAZBAIKW-YOEHRIQHSA-N 0 3 318.442 2.350 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1C ZINC001088948879 782072109 /nfs/dbraw/zinc/07/21/09/782072109.db2.gz CVVLPYKZCOHAGV-RISCZKNCSA-N 0 3 301.390 2.076 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)nc2OCC)[C@H]1C ZINC001088949893 782074677 /nfs/dbraw/zinc/07/46/77/782074677.db2.gz LGUCYNBQTYLBGF-ZBFHGGJFSA-N 0 3 315.417 2.005 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2scc3c2OCCO3)[C@H]1C ZINC001088956886 782078278 /nfs/dbraw/zinc/07/82/78/782078278.db2.gz VWFACSSKAFOTQX-NEPJUHHUSA-N 0 3 322.430 2.288 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c3ccccc3nn2C)[C@H]1C ZINC001088957683 782079640 /nfs/dbraw/zinc/07/96/40/782079640.db2.gz QLNJQAKRNCYCGA-HIFRSBDPSA-N 0 3 312.417 2.342 20 30 DEEDHN C[C@H]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000574237729 326136138 /nfs/dbraw/zinc/13/61/38/326136138.db2.gz UTGDIIOCFKQGMX-KBPBESRZSA-N 0 3 321.446 2.143 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCOCC(F)(F)F)CC1 ZINC000518497153 332066506 /nfs/dbraw/zinc/06/65/06/332066506.db2.gz YCTDCHNQHUJCIV-UHFFFAOYSA-N 0 3 308.344 2.112 20 30 DEEDHN C[C@H](O)[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000569435501 332081968 /nfs/dbraw/zinc/08/19/68/332081968.db2.gz CJBRCQOVZQKNMY-UAGQMJEPSA-N 0 3 300.402 2.378 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000518729206 332137294 /nfs/dbraw/zinc/13/72/94/332137294.db2.gz OEZIXAKNZMNHTF-YOEHRIQHSA-N 0 3 315.417 2.435 20 30 DEEDHN C[C@@H](C#N)CNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000559713524 332277574 /nfs/dbraw/zinc/27/75/74/332277574.db2.gz WDLUQCWMIWDKMM-HBNTYKKESA-N 0 3 305.344 2.171 20 30 DEEDHN CC(C)(CC#N)CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000563001701 333031600 /nfs/dbraw/zinc/03/16/00/333031600.db2.gz ZCBAXCMTJYFBHH-HNNXBMFYSA-N 0 3 301.390 2.022 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)c1cccs1 ZINC000296331836 335143660 /nfs/dbraw/zinc/14/36/60/335143660.db2.gz HNKSZCHPLAJAFO-UHFFFAOYSA-N 0 3 307.463 2.280 20 30 DEEDHN CCN1CCN(c2ccccc2CN(C)C[C@@H](C)C#N)CC1 ZINC000352095730 336194606 /nfs/dbraw/zinc/19/46/06/336194606.db2.gz AAURGJXOHKAXHU-INIZCTEOSA-N 0 3 300.450 2.420 20 30 DEEDHN C[C@@H](C#N)CN(C)CCCN1CCN(c2ccccc2)CC1 ZINC000352124173 336195729 /nfs/dbraw/zinc/19/57/29/336195729.db2.gz WRCJDIHPGQZZGR-KRWDZBQOSA-N 0 3 300.450 2.290 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2OCCc3ccccc32)[C@H]1C ZINC001088991469 782104131 /nfs/dbraw/zinc/10/41/31/782104131.db2.gz BJNHTFNLRASETH-FHLIZLRMSA-N 0 3 314.429 2.456 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000375112713 337003615 /nfs/dbraw/zinc/00/36/15/337003615.db2.gz WMKHQGGFRWEUKO-WMZOPIPTSA-N 0 3 321.465 2.141 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cn2)CCO1 ZINC000185712057 337250642 /nfs/dbraw/zinc/25/06/42/337250642.db2.gz ASEIRNJNFQNLMB-HLLBOEOZSA-N 0 3 314.433 2.479 20 30 DEEDHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000584566199 337362370 /nfs/dbraw/zinc/36/23/70/337362370.db2.gz GUDNCZITKXCNOI-RKVPGOIHSA-N 0 3 314.433 2.027 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2C[C@@H](C)NC[C@H]2C)c(OC)c1 ZINC000237122815 337468363 /nfs/dbraw/zinc/46/83/63/337468363.db2.gz GFAOMRZWCLNCPO-ZIAGYGMSSA-N 0 3 318.417 2.011 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000430480375 338107648 /nfs/dbraw/zinc/10/76/48/338107648.db2.gz YSPTVDJWZYBHFM-AWEZNQCLSA-N 0 3 320.437 2.378 20 30 DEEDHN CC(C)(C)OC(=O)NCC1CCN(CCOCCC#N)CC1 ZINC000495598324 339988131 /nfs/dbraw/zinc/98/81/31/339988131.db2.gz YUHPCKWQNZQSMH-UHFFFAOYSA-N 0 3 311.426 2.153 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496248677 340001528 /nfs/dbraw/zinc/00/15/28/340001528.db2.gz RYSYVFSGYQJPAR-RBSFLKMASA-N 0 3 323.437 2.104 20 30 DEEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCOCCC#N)C1 ZINC000496399804 340004677 /nfs/dbraw/zinc/00/46/77/340004677.db2.gz CWSVBKWDNSDILG-UONOGXRCSA-N 0 3 311.426 2.152 20 30 DEEDHN CN(C[C@@H]1CCN(CCOCCC#N)C1)C(=O)OC(C)(C)C ZINC000496981322 340017486 /nfs/dbraw/zinc/01/74/86/340017486.db2.gz ZNGJTQVWPDWDHP-AWEZNQCLSA-N 0 3 311.426 2.105 20 30 DEEDHN COc1ncccc1NC(=O)C(C#N)c1nc(C)c(C)s1 ZINC000505456077 340168870 /nfs/dbraw/zinc/16/88/70/340168870.db2.gz VEZZRYIQXWLBKA-SNVBAGLBSA-N 0 3 302.359 2.409 20 30 DEEDHN C=C(C)CN1CCC(NCCS(=O)(=O)c2ccccc2)CC1 ZINC000516645203 340453325 /nfs/dbraw/zinc/45/33/25/340453325.db2.gz OOOHMMXHTXGHIF-UHFFFAOYSA-N 0 3 322.474 2.090 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CC#N)CC2)CC1 ZINC000542846192 341023353 /nfs/dbraw/zinc/02/33/53/341023353.db2.gz KCRIYYLLDPWDHL-UHFFFAOYSA-N 0 3 304.438 2.362 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(CC#N)CC1)N1CCC[C@H](C)C1 ZINC000542848174 341023402 /nfs/dbraw/zinc/02/34/02/341023402.db2.gz ZTNZILPEKDVXOM-LSDHHAIUSA-N 0 3 306.454 2.442 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H]1CO)C(C)C ZINC000249115294 341394167 /nfs/dbraw/zinc/39/41/67/341394167.db2.gz SFKJVUQQYQPCJX-ZACQAIPSSA-N 0 3 323.481 2.097 20 30 DEEDHN COc1ccc([C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C2CC2)cc1 ZINC000192963633 341900019 /nfs/dbraw/zinc/90/00/19/341900019.db2.gz QEIIPDVZPRFULR-GUYCJALGSA-N 0 3 315.417 2.496 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)[C@H]1C ZINC001089028206 782123752 /nfs/dbraw/zinc/12/37/52/782123752.db2.gz IWLQDKGSTFIXPU-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)[C@H](CC)N(C)C)C1 ZINC001377657311 1160682107 /nfs/dbraw/zinc/68/21/07/1160682107.db2.gz NSXMVEHFINLCKL-CABCVRRESA-N 0 3 315.889 2.392 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)Cc1cccc(F)c1 ZINC001329951404 1149021707 /nfs/dbraw/zinc/02/17/07/1149021707.db2.gz GSLXXWWRNWBLDG-KRWDZBQOSA-N 0 3 302.393 2.362 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cncc3ccccc32)[C@H]1C ZINC001089058239 782141596 /nfs/dbraw/zinc/14/15/96/782141596.db2.gz HGIOTZUXSOCUND-KDOFPFPSSA-N 0 3 307.397 2.451 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2csc(CC)n2)[C@H]1C ZINC001089058244 782141429 /nfs/dbraw/zinc/14/14/29/782141429.db2.gz HNUPHJDAWPRQSM-OCCSQVGLSA-N 0 3 307.463 2.403 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c[nH]c3ncccc23)[C@H]1C ZINC001089064307 782144018 /nfs/dbraw/zinc/14/40/18/782144018.db2.gz UUKSGRSHDYPZCQ-CJNGLKHVSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001330059415 1149043133 /nfs/dbraw/zinc/04/31/33/1149043133.db2.gz DKGFVAJNPFSBKY-CYBMUJFWSA-N 0 3 317.433 2.145 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001369568842 1149043190 /nfs/dbraw/zinc/04/31/90/1149043190.db2.gz YJTYZNGHVZGBEC-CABCVRRESA-N 0 3 324.428 2.435 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)Cc2ccccc2F)C1 ZINC001330075793 1149046193 /nfs/dbraw/zinc/04/61/93/1149046193.db2.gz XASXHUPOUGZJLG-AWEZNQCLSA-N 0 3 320.408 2.007 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(CCCC3)C2)cc1 ZINC000279980422 501031333 /nfs/dbraw/zinc/03/13/33/501031333.db2.gz IDIAUPRRKZDICO-QGZVFWFLSA-N 0 3 323.396 2.412 20 30 DEEDHN N#Cc1cccnc1NCCNCc1ccc(C(F)F)nc1 ZINC001330324381 1149092389 /nfs/dbraw/zinc/09/23/89/1149092389.db2.gz SUGCAJSYILTSBC-UHFFFAOYSA-N 0 3 303.316 2.488 20 30 DEEDHN C=CC[C@H](C)[C@@H](C)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000453277435 534354868 /nfs/dbraw/zinc/35/48/68/534354868.db2.gz JLYNVBQHLALYSX-QTCYRWPVSA-N 0 3 315.479 2.363 20 30 DEEDHN C=C(CC)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000454820988 534411445 /nfs/dbraw/zinc/41/14/45/534411445.db2.gz QTTOAYRWEQRGMW-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=C(CC)CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449732650 534417901 /nfs/dbraw/zinc/41/79/01/534417901.db2.gz CHQXKFBSERPYAV-UHFFFAOYSA-N 0 3 308.334 2.202 20 30 DEEDHN CC(C)OC[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337261934 519770927 /nfs/dbraw/zinc/77/09/27/519770927.db2.gz QPJGJMRLFQZUQC-RHSMWYFYSA-N 0 3 315.417 2.457 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000450823389 534493286 /nfs/dbraw/zinc/49/32/86/534493286.db2.gz UMOIQLSMJICALR-LJQANCHMSA-N 0 3 316.445 2.294 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccccc1OC ZINC000451681362 534571675 /nfs/dbraw/zinc/57/16/75/534571675.db2.gz OJWUYBFAEPAFAD-BMFZPTHFSA-N 0 3 318.417 2.196 20 30 DEEDHN CN(C)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000339201191 522071513 /nfs/dbraw/zinc/07/15/13/522071513.db2.gz DUFSVLUHEIFIGT-GOSISDBHSA-N 0 3 322.412 2.389 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000451594690 534610241 /nfs/dbraw/zinc/61/02/41/534610241.db2.gz BODZZRBBEKEZHO-UNEWFSDZSA-N 0 3 300.402 2.287 20 30 DEEDHN N#CCCOCCN1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000339202969 534651755 /nfs/dbraw/zinc/65/17/55/534651755.db2.gz UKTFSFQFZKHCSG-GDBMZVCRSA-N 0 3 308.809 2.278 20 30 DEEDHN C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N(C)C1CC1 ZINC000162178573 524641488 /nfs/dbraw/zinc/64/14/88/524641488.db2.gz LKORRPBICAJBOE-ZDUSSCGKSA-N 0 3 315.417 2.315 20 30 DEEDHN Cc1ccc(O)c(CN2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000179988256 525344013 /nfs/dbraw/zinc/34/40/13/525344013.db2.gz UDPRMEQBIWYRFK-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=CCN(CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191100435 526300894 /nfs/dbraw/zinc/30/08/94/526300894.db2.gz NLCDJIIFJCHPIN-UHFFFAOYSA-N 0 3 321.377 2.366 20 30 DEEDHN CC#CCN(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000341014077 526346406 /nfs/dbraw/zinc/34/64/06/526346406.db2.gz FEXOTXHLFCEDQS-UHFFFAOYSA-N 0 3 313.445 2.071 20 30 DEEDHN C=CCN1CC[C@H](NCC2(c3ccccc3)CCOCC2)C1=O ZINC000352835333 526513417 /nfs/dbraw/zinc/51/34/17/526513417.db2.gz XQJZPJFONHTMHD-KRWDZBQOSA-N 0 3 314.429 2.111 20 30 DEEDHN CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1CN(CCOCCC#N)C2 ZINC000339157600 526516489 /nfs/dbraw/zinc/51/64/89/526516489.db2.gz LJQBVMYHNZBZQT-RHSMWYFYSA-N 0 3 308.422 2.360 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000448008050 526586322 /nfs/dbraw/zinc/58/63/22/526586322.db2.gz CUNGIEGFJIYUCX-INIZCTEOSA-N 0 3 323.481 2.483 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2(C3CC3)CCOCC2)CC1 ZINC000377316735 526588276 /nfs/dbraw/zinc/58/82/76/526588276.db2.gz LJJJUQLPWRDTEM-UHFFFAOYSA-N 0 3 321.465 2.285 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NOCc2ccccc2)CC1 ZINC000078533352 526591625 /nfs/dbraw/zinc/59/16/25/526591625.db2.gz NLZPROZQDGMOLA-UHFFFAOYSA-N 0 3 303.406 2.458 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000193185713 526603704 /nfs/dbraw/zinc/60/37/04/526603704.db2.gz KICRPINXMHIDOH-DOMZBBRYSA-N 0 3 301.390 2.128 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@](C)(N)CCC)cc1 ZINC000262247184 526618605 /nfs/dbraw/zinc/61/86/05/526618605.db2.gz BPXOGUGLRVJHAZ-INIZCTEOSA-N 0 3 304.394 2.450 20 30 DEEDHN C=C(C)CN[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442788875 526625996 /nfs/dbraw/zinc/62/59/96/526625996.db2.gz JIBJXJMXVOXIKS-KGLIPLIRSA-N 0 3 310.438 2.119 20 30 DEEDHN C#CCN(C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000292663503 526792738 /nfs/dbraw/zinc/79/27/38/526792738.db2.gz ZCSHYSQNZPKAFF-QGZVFWFLSA-N 0 3 317.433 2.353 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000341524695 526966096 /nfs/dbraw/zinc/96/60/96/526966096.db2.gz KSBSMSMZELUSHN-QWHCGFSZSA-N 0 3 301.390 2.001 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000341475469 526994335 /nfs/dbraw/zinc/99/43/35/526994335.db2.gz HZTOFTIXPWXZCI-LJQANCHMSA-N 0 3 316.445 2.342 20 30 DEEDHN C=CC[C@H](C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464666 527130590 /nfs/dbraw/zinc/13/05/90/527130590.db2.gz ZPDRXKINHQTASB-WMLDXEAASA-N 0 3 317.433 2.017 20 30 DEEDHN C=CCCCCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411371833 527143027 /nfs/dbraw/zinc/14/30/27/527143027.db2.gz SZELRIVYKRSDPJ-UHFFFAOYSA-N 0 3 317.433 2.468 20 30 DEEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000341871948 527189480 /nfs/dbraw/zinc/18/94/80/527189480.db2.gz DPBVNBABVBICSP-JSGCOSHPSA-N 0 3 306.406 2.489 20 30 DEEDHN C=CCn1c(C2CC2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000337841689 527306721 /nfs/dbraw/zinc/30/67/21/527306721.db2.gz FWJGJJAQDCBEJS-HNNXBMFYSA-N 0 3 301.438 2.406 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442889190 527424367 /nfs/dbraw/zinc/42/43/67/527424367.db2.gz JKGBZRLAJGPMKX-LLVKDONJSA-N 0 3 318.389 2.187 20 30 DEEDHN C(=N/OCCN1CCCCC1)\c1ccc(N2CCOCC2)cc1 ZINC000194371600 527473295 /nfs/dbraw/zinc/47/32/95/527473295.db2.gz AKHKBYBBJDRBLX-KNTRCKAVSA-N 0 3 317.433 2.360 20 30 DEEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCN(CC)CC ZINC000337496133 527501262 /nfs/dbraw/zinc/50/12/62/527501262.db2.gz FLTIEYVGDGRGHC-UHFFFAOYSA-N 0 3 317.433 2.202 20 30 DEEDHN C=CCN(C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190728530 527564088 /nfs/dbraw/zinc/56/40/88/527564088.db2.gz HFOSMNKYVOMAGY-KRWDZBQOSA-N 0 3 317.433 2.105 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429375889 527628423 /nfs/dbraw/zinc/62/84/23/527628423.db2.gz IEPRMBABVGVTEQ-PMPSAXMXSA-N 0 3 322.449 2.095 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429015105 527633629 /nfs/dbraw/zinc/63/36/29/527633629.db2.gz ZLYQCDPGCOJDPR-VSZNYVQBSA-N 0 3 319.493 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CC[C@@H](O)C1)C(C)C ZINC000248994649 527648045 /nfs/dbraw/zinc/64/80/45/527648045.db2.gz ZETCWYBAZXFSME-BRWVUGGUSA-N 0 3 323.481 2.145 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000330970844 527836135 /nfs/dbraw/zinc/83/61/35/527836135.db2.gz BKACJWCBKYDUNL-IAGOWNOFSA-N 0 3 311.385 2.124 20 30 DEEDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264579591 527842936 /nfs/dbraw/zinc/84/29/36/527842936.db2.gz UWXJMJGSPWEZIH-OAHLLOKOSA-N 0 3 302.374 2.364 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N(CC)CCC#N)C12CCCCC2 ZINC000375695820 527936167 /nfs/dbraw/zinc/93/61/67/527936167.db2.gz CDVPNPLUVZBEEL-JKSUJKDBSA-N 0 3 321.465 2.466 20 30 DEEDHN CCC[C@]1(COC)CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000194937804 528526763 /nfs/dbraw/zinc/52/67/63/528526763.db2.gz KEKUPCZONKJVDH-DLBZAZTESA-N 0 3 309.454 2.322 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375832427 528693286 /nfs/dbraw/zinc/69/32/86/528693286.db2.gz XGUBQDQMYQFXRM-IKGGRYGDSA-N 0 3 321.465 2.133 20 30 DEEDHN CC(C)N1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000263919410 529008151 /nfs/dbraw/zinc/00/81/51/529008151.db2.gz RWZRLKOHYOFQKZ-UHFFFAOYSA-N 0 3 301.390 2.145 20 30 DEEDHN CCN1C[C@H](C)N(CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000346178915 535780710 /nfs/dbraw/zinc/78/07/10/535780710.db2.gz ARFRUNATKKTMPV-CABCVRRESA-N 0 3 317.433 2.360 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C)[C@@H]1CO ZINC000305436848 536881955 /nfs/dbraw/zinc/88/19/55/536881955.db2.gz IZXMTVUKGGUBLA-ZFWWWQNUSA-N 0 3 304.390 2.038 20 30 DEEDHN COC(=O)C[C@@H]1CCCCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001414029176 1152531021 /nfs/dbraw/zinc/53/10/21/1152531021.db2.gz NBBGJOUULJKXFJ-JKSUJKDBSA-N 0 3 302.374 2.009 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccc(C)nc1 ZINC000835057493 649873381 /nfs/dbraw/zinc/87/33/81/649873381.db2.gz PJEPCMQICROOPO-OAHLLOKOSA-N 0 3 301.390 2.338 20 30 DEEDHN C/C=C\COc1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000835066231 649874500 /nfs/dbraw/zinc/87/45/00/649874500.db2.gz VEVKTIBVVAMNAN-RXYHWBRQSA-N 0 3 312.369 2.171 20 30 DEEDHN C#CCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000835061195 649873957 /nfs/dbraw/zinc/87/39/57/649873957.db2.gz QRPUKPOVXUAYNH-GXFFZTMASA-N 0 3 304.733 2.026 20 30 DEEDHN C#CCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000835061193 649874009 /nfs/dbraw/zinc/87/40/09/649874009.db2.gz QRPUKPOVXUAYNH-GWCFXTLKSA-N 0 3 304.733 2.026 20 30 DEEDHN COC[C@]1(C(=O)C(C#N)c2nc(C(C)C)cs2)CCOC1 ZINC000835200010 649890483 /nfs/dbraw/zinc/89/04/83/649890483.db2.gz DMBDSQHVYBBGES-IAQYHMDHSA-N 0 3 308.403 2.496 20 30 DEEDHN C=CC[N@H+](CCc1cccnc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418737 598944836 /nfs/dbraw/zinc/94/48/36/598944836.db2.gz HYSBMIUHNCOPEK-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@@H+](CCc1cccnc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418737 598944839 /nfs/dbraw/zinc/94/48/39/598944839.db2.gz HYSBMIUHNCOPEK-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@H+](CCc1cccnc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418737 598944841 /nfs/dbraw/zinc/94/48/41/598944841.db2.gz HYSBMIUHNCOPEK-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@@H+](CCc1cccnc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418737 598944843 /nfs/dbraw/zinc/94/48/43/598944843.db2.gz HYSBMIUHNCOPEK-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000835339556 649908558 /nfs/dbraw/zinc/90/85/58/649908558.db2.gz FOOFJWKRSJQASH-RISCZKNCSA-N 0 3 324.327 2.105 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cocn3)CC[C@@H]2C1 ZINC000946514774 634384672 /nfs/dbraw/zinc/38/46/72/634384672.db2.gz OEKHYLUQVAZLIC-BETUJISGSA-N 0 3 309.797 2.211 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819733774 606746494 /nfs/dbraw/zinc/74/64/94/606746494.db2.gz BGGKDRTYDDEEPX-MRXNPFEDSA-N 0 3 313.405 2.182 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819733774 606746496 /nfs/dbraw/zinc/74/64/96/606746496.db2.gz BGGKDRTYDDEEPX-MRXNPFEDSA-N 0 3 313.405 2.182 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819733774 606746498 /nfs/dbraw/zinc/74/64/98/606746498.db2.gz BGGKDRTYDDEEPX-MRXNPFEDSA-N 0 3 313.405 2.182 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819733774 606746499 /nfs/dbraw/zinc/74/64/99/606746499.db2.gz BGGKDRTYDDEEPX-MRXNPFEDSA-N 0 3 313.405 2.182 20 30 DEEDHN C#CC[C@@H](CC)c1nnc(N2CCN(C(C)(C)C)CC2)n1C ZINC001355257632 1151996309 /nfs/dbraw/zinc/99/63/09/1151996309.db2.gz CTLVSXHSQMGEKS-CQSZACIVSA-N 0 3 303.454 2.253 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1=CCOCC1 ZINC001025223771 625285412 /nfs/dbraw/zinc/28/54/12/625285412.db2.gz 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C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000970094948 623113286 /nfs/dbraw/zinc/11/32/86/623113286.db2.gz YCYQFOVWPLLPSC-DYVFJYSZSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(OC)c2)C1 ZINC001025602693 625627887 /nfs/dbraw/zinc/62/78/87/625627887.db2.gz KBSHYBHKIJUHQC-HOCLYGCPSA-N 0 3 300.402 2.159 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)cn1 ZINC001020947740 623201205 /nfs/dbraw/zinc/20/12/05/623201205.db2.gz DBQHUGMJGBGFBJ-QAQDUYKDSA-N 0 3 323.371 2.253 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000970243611 623360981 /nfs/dbraw/zinc/36/09/81/623360981.db2.gz CIGHSJFAPQIRPW-GFCCVEGCSA-N 0 3 313.376 2.380 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(OC)cc2C)C1 ZINC000970363939 623416274 /nfs/dbraw/zinc/41/62/74/623416274.db2.gz QHAMKCYWYLBLFS-CQSZACIVSA-N 0 3 300.402 2.077 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2[nH]nc3ccccc32)C1 ZINC001025615640 625651810 /nfs/dbraw/zinc/65/18/10/625651810.db2.gz 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CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C)nc2)C1 ZINC001021523347 623703668 /nfs/dbraw/zinc/70/36/68/623703668.db2.gz NAGBCFUHLDZNLG-MSOLQXFVSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(F)(F)F)C1 ZINC001021529282 623708130 /nfs/dbraw/zinc/70/81/30/623708130.db2.gz LVVYRHGKPXSJJI-CHWSQXEVSA-N 0 3 302.340 2.275 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cnc(C)[nH]2)C1 ZINC001021545321 623729197 /nfs/dbraw/zinc/72/91/97/623729197.db2.gz VSQXZPDZJZEIBJ-UKRRQHHQSA-N 0 3 322.840 2.397 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000970830516 623731099 /nfs/dbraw/zinc/73/10/99/623731099.db2.gz RXJSQFIWKSYASY-ZDUSSCGKSA-N 0 3 318.417 2.330 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ccoc2)C1 ZINC001021554006 623744052 /nfs/dbraw/zinc/74/40/52/623744052.db2.gz KHYQSHPNFMQTKR-DLBZAZTESA-N 0 3 300.402 2.158 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cncc3ccccc32)C[C@H]1C ZINC000947411519 623756151 /nfs/dbraw/zinc/75/61/51/623756151.db2.gz 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CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2F)C[C@H]1C ZINC000947329256 634140781 /nfs/dbraw/zinc/14/07/81/634140781.db2.gz WESAJIPVQSEJSL-CJNGLKHVSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCOc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000836870513 650139367 /nfs/dbraw/zinc/13/93/67/650139367.db2.gz VHXLHNOQIIBGRM-GJZGRUSLSA-N 0 3 300.402 2.188 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1C(F)(F)F ZINC000998230779 634176472 /nfs/dbraw/zinc/17/64/72/634176472.db2.gz DXQRYQHDBYEFMK-OLZOCXBDSA-N 0 3 313.323 2.250 20 30 DEEDHN CC1(C)C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC000978023808 634193493 /nfs/dbraw/zinc/19/34/93/634193493.db2.gz TZOMCEIMAWVFQK-FJIDUMEYSA-N 0 3 323.440 2.398 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2CN(C/C=C\Cl)C[C@@H]12 ZINC000978168931 634233450 /nfs/dbraw/zinc/23/34/50/634233450.db2.gz QVGFMHAYBMXNMN-WPMNKCNASA-N 0 3 324.852 2.014 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)oc4ccccc43)[C@@H]2C1 ZINC000978187522 634234826 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DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(OCC)nc3)C2)C1 ZINC000981799191 635654928 /nfs/dbraw/zinc/65/49/28/635654928.db2.gz XIYBWOZNKSYEBK-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001028135764 635683212 /nfs/dbraw/zinc/68/32/12/635683212.db2.gz XYPWBCVTQNNKRB-OAHLLOKOSA-N 0 3 319.453 2.095 20 30 DEEDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C#CC2CC2)C1 ZINC000837526166 650211065 /nfs/dbraw/zinc/21/10/65/650211065.db2.gz RQVPXJRTOQQLRA-UHFFFAOYSA-N 0 3 312.413 2.168 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001028180780 635781059 /nfs/dbraw/zinc/78/10/59/635781059.db2.gz GIOAZESNEWYBQC-GFCCVEGCSA-N 0 3 308.813 2.209 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C3CC3)CC1)CCO2 ZINC000949120984 635782797 /nfs/dbraw/zinc/78/27/97/635782797.db2.gz NCEBKDMPQSFCGG-UHFFFAOYSA-N 0 3 304.434 2.056 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016329908 635785162 /nfs/dbraw/zinc/78/51/62/635785162.db2.gz DALYGRUBTGYARZ-MRXNPFEDSA-N 0 3 321.852 2.305 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001028185135 635788900 /nfs/dbraw/zinc/78/89/00/635788900.db2.gz QWZBRJUROSPESV-JKSUJKDBSA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cccc3c2OCC3)CC1 ZINC000982015801 635814176 /nfs/dbraw/zinc/81/41/76/635814176.db2.gz GBKIETHXDIVICD-UHFFFAOYSA-N 0 3 300.402 2.346 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cccc(OC)n3)C2)C1 ZINC000982100179 635867704 /nfs/dbraw/zinc/86/77/04/635867704.db2.gz ZCGLLLHAYACSCH-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN CCOCCOCCN1CCCN(c2ccccc2C#N)CC1 ZINC000929264570 635879969 /nfs/dbraw/zinc/87/99/69/635879969.db2.gz VZEIRICVPKHOHI-UHFFFAOYSA-N 0 3 317.433 2.123 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3sccc3OC)C2)C1 ZINC000982124916 635880472 /nfs/dbraw/zinc/88/04/72/635880472.db2.gz DWKISJFWQBLABA-UHFFFAOYSA-N 0 3 306.431 2.481 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cccc(OC)c3)C2)C1 ZINC000982128864 635884163 /nfs/dbraw/zinc/88/41/63/635884163.db2.gz YMQHNWMUTNAOBH-UHFFFAOYSA-N 0 3 300.402 2.419 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)CC[C@@H]3CC[C@H](C)O3)C2)C1 ZINC000982159296 635893613 /nfs/dbraw/zinc/89/36/13/635893613.db2.gz BSIODBPGKVCFLB-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000982190544 635903496 /nfs/dbraw/zinc/90/34/96/635903496.db2.gz OTJUXJHCMQLUSO-UHFFFAOYSA-N 0 3 300.402 2.441 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001028223167 635919250 /nfs/dbraw/zinc/91/92/50/635919250.db2.gz BNFWMYWMWQIPPB-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@](C)(C=C)CC)CCO2 ZINC000949177505 635959200 /nfs/dbraw/zinc/95/92/00/635959200.db2.gz OGMRSZPKKBRCRT-KRWDZBQOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1CCCN1CCCF ZINC001028251119 635959768 /nfs/dbraw/zinc/95/97/68/635959768.db2.gz SHVNFSUSMUWUEB-CQSZACIVSA-N 0 3 321.396 2.200 20 30 DEEDHN Cc1cnn([C@H]2[C@H](NCc3c(C)cc(C#N)cc3C)C[C@@H]2O)c1 ZINC000922254008 636044661 /nfs/dbraw/zinc/04/46/61/636044661.db2.gz 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CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCC1CCC(C#N)CC1 ZINC000894594439 637126014 /nfs/dbraw/zinc/12/60/14/637126014.db2.gz AOLPCVDBRVFNGR-QDIHITRGSA-N 0 3 304.438 2.194 20 30 DEEDHN C#C[C@H](NC1CCN(C=O)CC1)c1ccc(Br)cc1 ZINC000894669486 637154850 /nfs/dbraw/zinc/15/48/50/637154850.db2.gz TZIWXGXSJJXSEJ-HNNXBMFYSA-N 0 3 321.218 2.334 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)n(C)nc2Cl)C[C@@H]1C ZINC000947980116 637236557 /nfs/dbraw/zinc/23/65/57/637236557.db2.gz NYKWGHQZUJZWGC-CMPLNLGQSA-N 0 3 310.829 2.151 20 30 DEEDHN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894931614 637332457 /nfs/dbraw/zinc/33/24/57/637332457.db2.gz BPMUKJZDPFUERB-WBVHZDCISA-N 0 3 316.449 2.066 20 30 DEEDHN N#Cc1cc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)cs1 ZINC000894934795 637338098 /nfs/dbraw/zinc/33/80/98/637338098.db2.gz UKZDSQDGOVDJKI-KRWDZBQOSA-N 0 3 311.410 2.249 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2Cc3c(cccc3C)O2)CC1 ZINC001006300913 637339167 /nfs/dbraw/zinc/33/91/67/637339167.db2.gz ZRRHNQBNGGSBKO-GOSISDBHSA-N 0 3 314.429 2.407 20 30 DEEDHN C=CCC1(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000838303029 637521439 /nfs/dbraw/zinc/52/14/39/637521439.db2.gz RSHVMAYDIVGMDM-CVEARBPZSA-N 0 3 321.465 2.428 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001029311792 637592297 /nfs/dbraw/zinc/59/22/97/637592297.db2.gz DRWPXEUWWHRHSW-SIRPWMCASA-N 0 3 324.440 2.391 20 30 DEEDHN C=CCONC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000838706255 637634638 /nfs/dbraw/zinc/63/46/38/637634638.db2.gz NAEIMVUGCZCGJG-INIZCTEOSA-N 0 3 303.406 2.410 20 30 DEEDHN O=C1[C@@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)CCCN1[O-] ZINC000895196425 637780520 /nfs/dbraw/zinc/78/05/20/637780520.db2.gz KSOCQMNFWAYJJM-LBPRGKRZSA-N 0 3 318.295 2.098 20 30 DEEDHN C#CC[C@H](N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1)C(=O)OC ZINC000839168567 637807827 /nfs/dbraw/zinc/80/78/27/637807827.db2.gz KVFZZUGZVIPCBT-IRXDYDNUSA-N 0 3 314.429 2.194 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)cc1 ZINC000740529837 637867395 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COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C)cn1 ZINC000753533877 639309539 /nfs/dbraw/zinc/30/95/39/639309539.db2.gz POZIOYYSDIFRLK-GFCCVEGCSA-N 0 3 309.325 2.360 20 30 DEEDHN CN(Cc1ccccn1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985360663 639312715 /nfs/dbraw/zinc/31/27/15/639312715.db2.gz GSUFPHVRQNAEIU-UHFFFAOYSA-N 0 3 323.400 2.018 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029679327 639415270 /nfs/dbraw/zinc/41/52/70/639415270.db2.gz ZOYABEPCMOPITF-OLZOCXBDSA-N 0 3 316.430 2.060 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC001029799026 639485928 /nfs/dbraw/zinc/48/59/28/639485928.db2.gz QENTWOHKCRDAKN-OAHLLOKOSA-N 0 3 318.465 2.303 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(C)Cc2cnc(C)nc2)CC1 ZINC000985575449 639514632 /nfs/dbraw/zinc/51/46/32/639514632.db2.gz ZABKYAHRTGANQY-UHFFFAOYSA-N 0 3 316.449 2.420 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CCC(N(C)CCF)CC1 ZINC000985770210 639625085 /nfs/dbraw/zinc/62/50/85/639625085.db2.gz RWXWWARTLOJUJJ-UHFFFAOYSA-N 0 3 302.393 2.103 20 30 DEEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000756232691 639637877 /nfs/dbraw/zinc/63/78/77/639637877.db2.gz WGHQWSOEVKPBBU-BXUZGUMPSA-N 0 3 304.346 2.015 20 30 DEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)c(F)c2)CCN1C(=O)C(F)F ZINC000985838487 639659562 /nfs/dbraw/zinc/65/95/62/639659562.db2.gz PGOCBFBBWBMMLR-RNCFNFMXSA-N 0 3 311.307 2.041 20 30 DEEDHN C#CC[C@H](NC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000756854675 639703436 /nfs/dbraw/zinc/70/34/36/639703436.db2.gz FTHWOOPCXVVJBQ-INIZCTEOSA-N 0 3 301.459 2.309 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)c1cocn1 ZINC000986075639 639742162 /nfs/dbraw/zinc/74/21/62/639742162.db2.gz GCWVAFUZUPDJPZ-GWCFXTLKSA-N 0 3 316.386 2.001 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1cccc(F)c1C)[C@@H]1CCCO1 ZINC000839563955 639755740 /nfs/dbraw/zinc/75/57/40/639755740.db2.gz NIENJHDLKSPCFC-HOCLYGCPSA-N 0 3 304.365 2.233 20 30 DEEDHN C[C@@H](C#N)OCCN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839678093 639803526 /nfs/dbraw/zinc/80/35/26/639803526.db2.gz WNXXRJRKSBHWPW-YOEHRIQHSA-N 0 3 323.437 2.390 20 30 DEEDHN C=C(C)[C@@H](CO)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679975 639804925 /nfs/dbraw/zinc/80/49/25/639804925.db2.gz QJSKUZOLFHDUIH-PBHICJAKSA-N 0 3 310.438 2.399 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=S)Nc1ccccc1C#N ZINC000757539251 639845112 /nfs/dbraw/zinc/84/51/12/639845112.db2.gz ASLKEPMKEODFAT-IAQYHMDHSA-N 0 3 300.431 2.327 20 30 DEEDHN C[C@H]1[C@H](NCc2cc(F)cc(F)c2)CCN1C(=O)C#CC1CC1 ZINC000986283308 639869193 /nfs/dbraw/zinc/86/91/93/639869193.db2.gz WEXCJDJCCMYNCN-YVEFUNNKSA-N 0 3 318.367 2.457 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)nc1 ZINC000758191717 639925899 /nfs/dbraw/zinc/92/58/99/639925899.db2.gz MDMIBBOBQNFKJY-CRAIPNDOSA-N 0 3 319.408 2.456 20 30 DEEDHN COc1cc(Cl)cc(C[NH2+]C2CCN(CC#N)CC2)c1[O-] ZINC000761206712 640284681 /nfs/dbraw/zinc/28/46/81/640284681.db2.gz OEGGQXBGZMDKLN-UHFFFAOYSA-N 0 3 309.797 2.132 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccn(C3CCCCC3)n2)C1 ZINC000988839636 640672789 /nfs/dbraw/zinc/67/27/89/640672789.db2.gz UQRJYRBOBBYVAS-CABCVRRESA-N 0 3 314.433 2.214 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC000988917316 640688873 /nfs/dbraw/zinc/68/88/73/640688873.db2.gz QAKGCYCRLVMGGS-HOCLYGCPSA-N 0 3 310.397 2.496 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)COc2ccc(C(C)C)cc2)C1 ZINC000989126942 640730363 /nfs/dbraw/zinc/73/03/63/640730363.db2.gz UPOLLXQFZKOXJR-RDJZCZTQSA-N 0 3 314.429 2.401 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)c1cnco1 ZINC000989260641 640770223 /nfs/dbraw/zinc/77/02/23/640770223.db2.gz PUKRPEXYZIEPCI-WDEREUQCSA-N 0 3 316.386 2.001 20 30 DEEDHN C=CCOCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000729652115 640823262 /nfs/dbraw/zinc/82/32/62/640823262.db2.gz QLHGFEROINHSSE-DOTOQJQBSA-N 0 3 300.402 2.332 20 30 DEEDHN COc1ccc(O)c(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000897602597 640846270 /nfs/dbraw/zinc/84/62/70/640846270.db2.gz RPMYELGHBZHWNZ-UHFFFAOYSA-N 0 3 303.358 2.239 20 30 DEEDHN COc1ccc([C@H](NC(C)C)C(=O)NCC2(C#N)CC2)cc1 ZINC000897635802 640884196 /nfs/dbraw/zinc/88/41/96/640884196.db2.gz HKNUYJMLARLRAB-HNNXBMFYSA-N 0 3 301.390 2.154 20 30 DEEDHN C=CCN1CCCN(C(=O)[C@@](C)(c2ccccc2)N(C)C)CC1 ZINC000989459249 641063675 /nfs/dbraw/zinc/06/36/75/641063675.db2.gz URLRKMWBHNBYOG-LJQANCHMSA-N 0 3 315.461 2.184 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccccc2OC(C)C)C1 ZINC000989547231 641140740 /nfs/dbraw/zinc/14/07/40/641140740.db2.gz QWHZEZVXFHIMGD-RDJZCZTQSA-N 0 3 314.429 2.229 20 30 DEEDHN C#CCCN1CCCN(C(=O)COc2c(C)cccc2C)CC1 ZINC000989622221 641171987 /nfs/dbraw/zinc/17/19/87/641171987.db2.gz PSTCSDUJIHJUHM-UHFFFAOYSA-N 0 3 314.429 2.240 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC000989660016 641185392 /nfs/dbraw/zinc/18/53/92/641185392.db2.gz FNOHUXVBYKAHCD-GOEBONIOSA-N 0 3 316.449 2.063 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2csc3nccn23)CC1 ZINC000989674704 641191441 /nfs/dbraw/zinc/19/14/41/641191441.db2.gz GKINKKUCNOYDCC-UHFFFAOYSA-N 0 3 318.446 2.049 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2C[C@H](NCCF)C[C@H]2C)cc1 ZINC000989839065 641247703 /nfs/dbraw/zinc/24/77/03/641247703.db2.gz UADBGCSGYCEUFK-GDBMZVCRSA-N 0 3 320.408 2.342 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)C(C)(F)F)CC1 ZINC000989847810 641253382 /nfs/dbraw/zinc/25/33/82/641253382.db2.gz GENDSSHZJUFLEG-UHFFFAOYSA-N 0 3 311.170 2.131 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000989890982 641274359 /nfs/dbraw/zinc/27/43/59/641274359.db2.gz WDAHZUOMMLEEBP-BXKDBHETSA-N 0 3 301.228 2.132 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3oc(C)nc3C)CCC[C@H]12 ZINC000990110237 641359416 /nfs/dbraw/zinc/35/94/16/641359416.db2.gz USLVFOSYUJAJAE-YOEHRIQHSA-N 0 3 301.390 2.042 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(NCc2c(F)cccc2F)CC1 ZINC000990261418 641420090 /nfs/dbraw/zinc/42/00/90/641420090.db2.gz FQSORZDVDLMDDE-LLVKDONJSA-N 0 3 307.344 2.205 20 30 DEEDHN CO[C@H](CC(C)C)CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000842158230 650662450 /nfs/dbraw/zinc/66/24/50/650662450.db2.gz KAULHPTUIODZJP-QGZVFWFLSA-N 0 3 302.422 2.136 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000730112917 641478886 /nfs/dbraw/zinc/47/88/86/641478886.db2.gz NLDHPJVTNNOHDU-JTQLQIEISA-N 0 3 306.237 2.130 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3ccncc3C)CCC[C@H]12 ZINC000990712526 641629964 /nfs/dbraw/zinc/62/99/64/641629964.db2.gz ONNZETMVEAUGJU-PKOBYXMFSA-N 0 3 311.429 2.069 20 30 DEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCOC[C@H]1C ZINC000772821047 641695861 /nfs/dbraw/zinc/69/58/61/641695861.db2.gz INFMGABMIGGWDF-CYBMUJFWSA-N 0 3 311.389 2.194 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000842283833 650692596 /nfs/dbraw/zinc/69/25/96/650692596.db2.gz FYRCEXAVFKBCSR-DZGCQCFKSA-N 0 3 318.421 2.319 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1cnn(C)c1 ZINC000842283835 650692701 /nfs/dbraw/zinc/69/27/01/650692701.db2.gz FYRCEXAVFKBCSR-UKRRQHHQSA-N 0 3 318.421 2.319 20 30 DEEDHN C[C@H](CC(C)(C)C#N)NCCNS(=O)(=O)Cc1ccccc1 ZINC000924742056 641809065 /nfs/dbraw/zinc/80/90/65/641809065.db2.gz IGRAALYUXNCKLV-CQSZACIVSA-N 0 3 323.462 2.024 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCSc2ccccc21 ZINC000842288633 650694688 /nfs/dbraw/zinc/69/46/88/650694688.db2.gz KMPJPKYIUVESSD-CHWSQXEVSA-N 0 3 302.399 2.499 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC/C=C/Cl ZINC000899057441 641909709 /nfs/dbraw/zinc/90/97/09/641909709.db2.gz NMHSKCMLRASUJY-FPYGCLRLSA-N 0 3 320.824 2.384 20 30 DEEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101119 641941574 /nfs/dbraw/zinc/94/15/74/641941574.db2.gz FDOADZHIOPHLCK-CJNGLKHVSA-N 0 3 304.438 2.229 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cc2c(C)nn(C)c2nc1Cl ZINC000774829245 641970613 /nfs/dbraw/zinc/97/06/13/641970613.db2.gz YZRDVFGGNWNJQG-LLVKDONJSA-N 0 3 308.813 2.204 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccnn2C)c([O-])c1 ZINC000899227964 641996601 /nfs/dbraw/zinc/99/66/01/641996601.db2.gz VVPALDVQUUMYTD-AUUUKSDWSA-N 0 3 316.405 2.124 20 30 DEEDHN CN1CCN(N=C2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842522883 650759717 /nfs/dbraw/zinc/75/97/17/650759717.db2.gz RYROSAILHZESTH-UHFFFAOYSA-N 0 3 312.461 2.418 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(Cl)cnn3CC)CCC[C@H]12 ZINC000990869604 642558109 /nfs/dbraw/zinc/55/81/09/642558109.db2.gz INSWHRIBXYLPHF-BBRMVZONSA-N 0 3 322.840 2.469 20 30 DEEDHN C[C@H]1CC(NN=Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000901311722 642620852 /nfs/dbraw/zinc/62/08/52/642620852.db2.gz QQZNTLZBOIILHT-GJZGRUSLSA-N 0 3 317.433 2.403 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@H]12 ZINC000990911693 642811676 /nfs/dbraw/zinc/81/16/76/642811676.db2.gz TUPABVYNEKPUKZ-HKUYNNGSSA-N 0 3 311.429 2.449 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990911695 642811737 /nfs/dbraw/zinc/81/17/37/642811737.db2.gz TUPABVYNEKPUKZ-MJGOQNOKSA-N 0 3 311.429 2.449 20 30 DEEDHN N#CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000783755385 643048065 /nfs/dbraw/zinc/04/80/65/643048065.db2.gz DJPAPPKYNHJDHI-UHFFFAOYSA-N 0 3 316.474 2.419 20 30 DEEDHN C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1cc(C#N)ccn1 ZINC000902802638 643143005 /nfs/dbraw/zinc/14/30/05/643143005.db2.gz PUPXRFPUTFHVNL-CYBMUJFWSA-N 0 3 300.406 2.252 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)OC)cc1 ZINC000786314863 643352119 /nfs/dbraw/zinc/35/21/19/643352119.db2.gz MXTPXDKAYUSFKE-CYBMUJFWSA-N 0 3 304.346 2.158 20 30 DEEDHN C#CCCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000786443490 643368190 /nfs/dbraw/zinc/36/81/90/643368190.db2.gz IYUDAHXKVQDRIB-UHFFFAOYSA-N 0 3 318.368 2.482 20 30 DEEDHN CS[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786562575 643385408 /nfs/dbraw/zinc/38/54/08/643385408.db2.gz JRAZFHCGJRXEQT-LDYMZIIASA-N 0 3 312.341 2.041 20 30 DEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OCC#N ZINC000905079344 643777411 /nfs/dbraw/zinc/77/74/11/643777411.db2.gz BIFPZLCKDOOVCC-VPMLRQHESA-N 0 3 310.313 2.030 20 30 DEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(OC)c1OC ZINC000905079293 643777424 /nfs/dbraw/zinc/77/74/24/643777424.db2.gz AKIKRQTUNMVZAQ-MKVDPYIPSA-N 0 3 315.329 2.145 20 30 DEEDHN CC1/C(=C\c2ccc3c(c2)CCC(=O)N3C)C(=O)c2ncnn21 ZINC000905085916 643779500 /nfs/dbraw/zinc/77/95/00/643779500.db2.gz QDMOFHHYJFKZMH-XNFYSYIQSA-N 0 3 308.341 2.028 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790634029 643875779 /nfs/dbraw/zinc/87/57/79/643875779.db2.gz PUOMRZCRIHJWIE-CQSZACIVSA-N 0 3 310.319 2.267 20 30 DEEDHN CN1CCC[C@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790634027 643875797 /nfs/dbraw/zinc/87/57/97/643875797.db2.gz PUOMRZCRIHJWIE-AWEZNQCLSA-N 0 3 310.319 2.267 20 30 DEEDHN COc1cccc(Cl)c1CC(=O)C(C#N)C(=O)NC(C)C ZINC000790766279 643891097 /nfs/dbraw/zinc/89/10/97/643891097.db2.gz CTVSACSMCPYLNA-LLVKDONJSA-N 0 3 308.765 2.125 20 30 DEEDHN C=C(CO)C(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000791342667 643960778 /nfs/dbraw/zinc/96/07/78/643960778.db2.gz KVGFRMXYKRFJNN-GOSISDBHSA-N 0 3 316.445 2.438 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cccnc2F)CC1 ZINC000792917790 644168311 /nfs/dbraw/zinc/16/83/11/644168311.db2.gz KWVHTUCTZXVJCZ-UHFFFAOYSA-N 0 3 306.385 2.060 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000906592033 644285860 /nfs/dbraw/zinc/28/58/60/644285860.db2.gz JQOGGOQTSJCCHF-HNNXBMFYSA-N 0 3 306.450 2.492 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000906648421 644307480 /nfs/dbraw/zinc/30/74/80/644307480.db2.gz QSKLRCLXUHCLLY-SFHVURJKSA-N 0 3 311.429 2.270 20 30 DEEDHN C[C@@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)C1=CCN(C)CC1 ZINC000907283268 644497766 /nfs/dbraw/zinc/49/77/66/644497766.db2.gz RNXMALMELOGHNB-WBTBYHMDSA-N 0 3 301.434 2.473 20 30 DEEDHN CNC(=O)C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000796615158 644765896 /nfs/dbraw/zinc/76/58/96/644765896.db2.gz ZQWPJAUUEYSLBA-MSOLQXFVSA-N 0 3 323.396 2.059 20 30 DEEDHN C[C@@H]1C(=O)CC[C@H]1CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000796633924 644767796 /nfs/dbraw/zinc/76/77/96/644767796.db2.gz QNAHOQUKPSJMBL-AEGPPILISA-N 0 3 312.369 2.017 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796770211 644791130 /nfs/dbraw/zinc/79/11/30/644791130.db2.gz BIOPHFHMPRDPLS-ARFHVFGLSA-N 0 3 314.385 2.042 20 30 DEEDHN C#CCCCc1nnc(N2CCN(C(C)(C)CC)CC2)n1C ZINC000908530061 644904511 /nfs/dbraw/zinc/90/45/11/644904511.db2.gz XHSCEQGRLTVMPK-UHFFFAOYSA-N 0 3 303.454 2.082 20 30 DEEDHN C#CCCCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC ZINC000908879531 645023893 /nfs/dbraw/zinc/02/38/93/645023893.db2.gz WUAVLGJSTZOVBA-GJZGRUSLSA-N 0 3 303.454 2.173 20 30 DEEDHN CCN1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000910280358 645386956 /nfs/dbraw/zinc/38/69/56/645386956.db2.gz QRWTVYSLGWIULI-YJBOKZPZSA-N 0 3 324.428 2.183 20 30 DEEDHN N#Cc1ccc(N2CCN(CCCc3ccncc3)CC2)cn1 ZINC000801553771 645413953 /nfs/dbraw/zinc/41/39/53/645413953.db2.gz FPWBYGCDAGXCBP-UHFFFAOYSA-N 0 3 307.401 2.103 20 30 DEEDHN C[C@H](C#N)OCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000801920913 645463343 /nfs/dbraw/zinc/46/33/43/645463343.db2.gz WGZFGHYZZIBNBO-DYVFJYSZSA-N 0 3 306.381 2.500 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000801932200 645464236 /nfs/dbraw/zinc/46/42/36/645464236.db2.gz WURHPIXJTDPOJI-CYBMUJFWSA-N 0 3 319.380 2.405 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000801939240 645466188 /nfs/dbraw/zinc/46/61/88/645466188.db2.gz NXCRRJSADJPIRR-LLVKDONJSA-N 0 3 316.327 2.467 20 30 DEEDHN C=CCN1CCN(CN(CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1=O ZINC000840008270 645672843 /nfs/dbraw/zinc/67/28/43/645672843.db2.gz KUTLFSMYTGGETD-ARFHVFGLSA-N 0 3 321.465 2.393 20 30 DEEDHN Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000911302565 645673593 /nfs/dbraw/zinc/67/35/93/645673593.db2.gz QNNZLVRMOSLTFJ-ZRNVIFCMSA-N 0 3 312.413 2.287 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810532083 646371700 /nfs/dbraw/zinc/37/17/00/646371700.db2.gz CETLGTVQGXVZSC-CYBMUJFWSA-N 0 3 304.321 2.482 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)SC)c1 ZINC000156322437 646413614 /nfs/dbraw/zinc/41/36/14/646413614.db2.gz AFJHFMKMEMTGAZ-ZWNOBZJWSA-N 0 3 306.387 2.484 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000156509738 646428043 /nfs/dbraw/zinc/42/80/43/646428043.db2.gz MOOCWGVCPCIOBD-GWCFXTLKSA-N 0 3 306.387 2.484 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(CCC)nc2C)C[C@H]1C ZINC000947857018 646445339 /nfs/dbraw/zinc/44/53/39/646445339.db2.gz DZLWRTAXSMXSES-ZBFHGGJFSA-N 0 3 316.449 2.208 20 30 DEEDHN C=CCCN1CC[C@]2(NC(=O)c3snnc3CC)CCC[C@@H]12 ZINC000991679938 646579552 /nfs/dbraw/zinc/57/95/52/646579552.db2.gz MPYMNJACCUAVRE-CZUORRHYSA-N 0 3 320.462 2.403 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(OC)nc3)CCC[C@@H]12 ZINC000991709710 646593529 /nfs/dbraw/zinc/59/35/29/646593529.db2.gz LESDDLQQUGUUGP-PBHICJAKSA-N 0 3 301.390 2.003 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2csc3cncn32)C[C@H]1C ZINC000947771347 646594228 /nfs/dbraw/zinc/59/42/28/646594228.db2.gz JUHXFGACVRCWHQ-VXGBXAGGSA-N 0 3 304.419 2.165 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(OC)c2)C[C@H]1C ZINC000947989499 646635466 /nfs/dbraw/zinc/63/54/66/646635466.db2.gz KSJIQZVYDYDNBR-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H]3CC(C)(C)CO3)CCC[C@H]12 ZINC000991812358 646636886 /nfs/dbraw/zinc/63/68/86/646636886.db2.gz CAWIXPMOFPIVKO-JTDSTZFVSA-N 0 3 318.461 2.328 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccc4nccn43)CCC[C@H]12 ZINC000991839022 646652544 /nfs/dbraw/zinc/65/25/44/646652544.db2.gz GSZKEYFFMABWBA-LPHOPBHVSA-N 0 3 322.412 2.084 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2Cl)C[C@H]1C ZINC000948002028 646675584 /nfs/dbraw/zinc/67/55/84/646675584.db2.gz ISQYAFKVGMDGFY-UKRRQHHQSA-N 0 3 304.821 2.485 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCCOC1 ZINC000171035390 646683058 /nfs/dbraw/zinc/68/30/58/646683058.db2.gz YCSCVGIAZZXKRL-GWCFXTLKSA-N 0 3 306.749 2.414 20 30 DEEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113780 646733192 /nfs/dbraw/zinc/73/31/92/646733192.db2.gz IPTLKIQAXLLIET-VIFPVBQESA-N 0 3 303.274 2.072 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(CCC)c2)CC1 ZINC000174147392 646793444 /nfs/dbraw/zinc/79/34/44/646793444.db2.gz UCWQUYVLWIINFS-UHFFFAOYSA-N 0 3 305.426 2.455 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3Cc4ccncc4C3)CCC[C@@H]12 ZINC000992184681 646891837 /nfs/dbraw/zinc/89/18/37/646891837.db2.gz XACYEEUYLWDPAM-SZVBFZGTSA-N 0 3 311.429 2.096 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3occc3C)CCC[C@@H]12 ZINC000992195833 646897475 /nfs/dbraw/zinc/89/74/75/646897475.db2.gz XHSJQLURYKOAAD-AEFFLSMTSA-N 0 3 300.402 2.267 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3cccnc3)CCC[C@H]12 ZINC000992238032 646910957 /nfs/dbraw/zinc/91/09/57/646910957.db2.gz CLLZVACKFVZJRD-DMUMMCEESA-N 0 3 323.440 2.322 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3cccnc3)CCC[C@H]12 ZINC000992246384 646913320 /nfs/dbraw/zinc/91/33/20/646913320.db2.gz GWDQLGYIMDTXCS-MJQMVNBJSA-N 0 3 311.429 2.484 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@](O)(CC)c2ccccc2)CC1 ZINC000840326660 646937187 /nfs/dbraw/zinc/93/71/87/646937187.db2.gz HHWSXHSQKJQXEL-LJQANCHMSA-N 0 3 316.445 2.441 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3c(C)n[nH]c3C)CCC[C@H]12 ZINC000992327912 646948593 /nfs/dbraw/zinc/94/85/93/646948593.db2.gz HUXDKMZMXBJUGK-XLWVJDPXSA-N 0 3 316.449 2.429 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3c[nH]nc3C3CC3)CCC[C@@H]12 ZINC000992369549 646961383 /nfs/dbraw/zinc/96/13/83/646961383.db2.gz NKCOWOUEVBOJOW-RHSMWYFYSA-N 0 3 300.406 2.200 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)c3ccc4c(c3)CCN4C)CCC[C@H]12 ZINC000992397299 646970460 /nfs/dbraw/zinc/97/04/60/646970460.db2.gz FBAWFLBKVHZKRH-ICSRJNTNSA-N 0 3 323.440 2.039 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ncccc3OC)CCC[C@@H]12 ZINC000992442303 647007789 /nfs/dbraw/zinc/00/77/89/647007789.db2.gz VJLSIKQDKHSSDI-RHSMWYFYSA-N 0 3 301.390 2.003 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nn(C)c4ccccc43)CCC[C@@H]12 ZINC000992442790 647008299 /nfs/dbraw/zinc/00/82/99/647008299.db2.gz UHMLMGPWNIVAKX-VQIMIIECSA-N 0 3 324.428 2.486 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccccc3F)CCC[C@@H]12 ZINC000992464374 647036373 /nfs/dbraw/zinc/03/63/73/647036373.db2.gz HQKMRLFNYBSJSN-SJLPKXTDSA-N 0 3 300.377 2.115 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cn4ccccc4n3)CCC[C@H]12 ZINC000992474423 647048694 /nfs/dbraw/zinc/04/86/94/647048694.db2.gz ALYZBCJLXKBYAS-YJBOKZPZSA-N 0 3 310.401 2.247 20 30 DEEDHN C#CCN(C(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(C)C ZINC000913888595 647083849 /nfs/dbraw/zinc/08/38/49/647083849.db2.gz HRYUJXJOEQJMLM-QGZVFWFLSA-N 0 3 301.434 2.213 20 30 DEEDHN C#CCN(C(=O)NCc1ccc(C)c(F)c1)C1CCN(C)CC1 ZINC000913966739 647114671 /nfs/dbraw/zinc/11/46/71/647114671.db2.gz PVHNHDPHYAPYAE-UHFFFAOYSA-N 0 3 317.408 2.373 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCc2ccccc21)C1CCN(C)CC1 ZINC000913965406 647115664 /nfs/dbraw/zinc/11/56/64/647115664.db2.gz FRZABCYCPYYLPT-SFHVURJKSA-N 0 3 311.429 2.413 20 30 DEEDHN C=CCC(F)(F)C(=O)N(CCCOC)C1CCN(C)CC1 ZINC000816778442 647182709 /nfs/dbraw/zinc/18/27/09/647182709.db2.gz YZZALGNXPZFFJI-UHFFFAOYSA-N 0 3 304.381 2.157 20 30 DEEDHN CC(=O)N(C)CC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416294 647191352 /nfs/dbraw/zinc/19/13/52/647191352.db2.gz CITUSWFARZWQGE-JTQLQIEISA-N 0 3 305.334 2.090 20 30 DEEDHN CN1C[C@H]2CCN(C(=O)c3ccccc3SCC#N)[C@H]2C1 ZINC000816954355 647205753 /nfs/dbraw/zinc/20/57/53/647205753.db2.gz ZLDZVFANANTINU-OCCSQVGLSA-N 0 3 301.415 2.078 20 30 DEEDHN C[C@]1(Cc2ccc(F)cc2)CCCN1CC(=O)NCCC#N ZINC000817276520 647255851 /nfs/dbraw/zinc/25/58/51/647255851.db2.gz HHDLRFHZZNBHHB-QGZVFWFLSA-N 0 3 303.381 2.253 20 30 DEEDHN CC(=O)N[C@H]1CCCN(Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC000992911512 647317317 /nfs/dbraw/zinc/31/73/17/647317317.db2.gz AOVQXPJNBQASOD-DYVFJYSZSA-N 0 3 301.390 2.078 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000818584627 647483051 /nfs/dbraw/zinc/48/30/51/647483051.db2.gz RXTIJEVENRDXAF-UHFFFAOYSA-N 0 3 317.414 2.396 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(Cl)cnn2CC)[C@H]1C ZINC000993371332 647633828 /nfs/dbraw/zinc/63/38/28/647633828.db2.gz XKBNIJDKSNHOQN-TZMCWYRMSA-N 0 3 322.840 2.162 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnc3ccccc3n2)[C@H]1C ZINC000993412950 647657269 /nfs/dbraw/zinc/65/72/69/647657269.db2.gz LSYSBHQTALOKHB-HUUCEWRRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)[C@@H]1C ZINC000993442959 647670902 /nfs/dbraw/zinc/67/09/02/647670902.db2.gz LFBFKKQEEBUZHH-JQWIXIFHSA-N 0 3 310.829 2.394 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cnn3ccccc23)[C@@H]1C ZINC000993448419 647675826 /nfs/dbraw/zinc/67/58/26/647675826.db2.gz YDZNPOAGMOMPJG-HOCLYGCPSA-N 0 3 312.417 2.032 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OC)c(F)c2)[C@H]1C ZINC000993454486 647677688 /nfs/dbraw/zinc/67/76/88/647677688.db2.gz RAUQUVGVEUGHAN-CJNGLKHVSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc3[nH]ccc3c2)[C@H]1C ZINC000993453137 647677746 /nfs/dbraw/zinc/67/77/46/647677746.db2.gz JIBHZBHDTKBKGE-CJNGLKHVSA-N 0 3 310.401 2.121 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ncc(C)cc2OC)[C@@H]1C ZINC000993456275 647677759 /nfs/dbraw/zinc/67/77/59/647677759.db2.gz XVEYVVASRDYUMS-LSDHHAIUSA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@H]1C ZINC000993509352 647682654 /nfs/dbraw/zinc/68/26/54/647682654.db2.gz AKJCDBRNDRKEIG-GDBMZVCRSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H]1C ZINC000993531926 647691365 /nfs/dbraw/zinc/69/13/65/647691365.db2.gz OVOBKEKDSMWIQL-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H]1C ZINC000993535336 647692510 /nfs/dbraw/zinc/69/25/10/647692510.db2.gz JDAVXNCCZUPCPD-WMLDXEAASA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)[C@H]1C ZINC000993605019 647705051 /nfs/dbraw/zinc/70/50/51/647705051.db2.gz ULYKYNRULWODKN-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@H]1C ZINC000993640188 647713872 /nfs/dbraw/zinc/71/38/72/647713872.db2.gz CSBSMCWEHGGVRC-UKRRQHHQSA-N 0 3 304.438 2.196 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(CC)nn2C)[C@H]1C ZINC000993628134 647719055 /nfs/dbraw/zinc/71/90/55/647719055.db2.gz YYSMMIGTSOQQPN-PBHICJAKSA-N 0 3 318.465 2.070 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC000993665997 647720283 /nfs/dbraw/zinc/72/02/83/647720283.db2.gz VZAVAQOUWGHMGA-CJNGLKHVSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@@H]1C ZINC000993656764 647726350 /nfs/dbraw/zinc/72/63/50/647726350.db2.gz PTJKDFFKBJBOFT-WMLDXEAASA-N 0 3 314.429 2.319 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1C ZINC000993895792 647759953 /nfs/dbraw/zinc/75/99/53/647759953.db2.gz ATRISUGESVBQPM-GXTWGEPZSA-N 0 3 310.829 2.082 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(CC)oc2C)[C@H]1C ZINC000993992085 647774225 /nfs/dbraw/zinc/77/42/25/647774225.db2.gz VJYYZLCUWUMGFI-OCCSQVGLSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)COC3)[C@H]1C ZINC000993971177 647775724 /nfs/dbraw/zinc/77/57/24/647775724.db2.gz ITQPWJNNAAXCJB-RDTXWAMCSA-N 0 3 312.413 2.323 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)nn(CC)c2C)[C@H]1C ZINC000994029666 647780220 /nfs/dbraw/zinc/78/02/20/647780220.db2.gz ZHTTVMHUMSLOTL-ZBFHGGJFSA-N 0 3 316.449 2.126 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn3c2CCCC3)[C@@H]1C ZINC000994153186 647795145 /nfs/dbraw/zinc/79/51/45/647795145.db2.gz ZDFBADBURKRXOW-HOCLYGCPSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]c3cccnc32)[C@@H]1C ZINC000994217726 647807066 /nfs/dbraw/zinc/80/70/66/647807066.db2.gz XKZGGRNKBWKWOG-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c3c(nn2C)CCC3)[C@H]1C ZINC000994218865 647808342 /nfs/dbraw/zinc/80/83/42/647808342.db2.gz ZNNFNPNRVKRCMC-HIFRSBDPSA-N 0 3 316.449 2.068 20 30 DEEDHN C#C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000820496135 647856539 /nfs/dbraw/zinc/85/65/39/647856539.db2.gz TZGHSHWDNBTPSQ-SJORKVTESA-N 0 3 315.392 2.378 20 30 DEEDHN C#C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(Cl)cc1 ZINC000820583543 647874236 /nfs/dbraw/zinc/87/42/36/647874236.db2.gz ITBLWKBHUCANAN-OAHLLOKOSA-N 0 3 305.809 2.361 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnccc2N(C)C)[C@H]1C ZINC000994268348 647888926 /nfs/dbraw/zinc/88/89/26/647888926.db2.gz MCNCSYCVAUDQEP-GDBMZVCRSA-N 0 3 316.449 2.306 20 30 DEEDHN C#C[C@@H](NC(=O)N(C)CCN(C)C)c1ccc(Cl)cc1F ZINC000820744456 647907642 /nfs/dbraw/zinc/90/76/42/647907642.db2.gz HHSAPBSTTDUXOM-CQSZACIVSA-N 0 3 311.788 2.356 20 30 DEEDHN C#C[C@H](NC(=O)N(C)CCN(C)C)c1ccc(Cl)cc1F ZINC000820744455 647907701 /nfs/dbraw/zinc/90/77/01/647907701.db2.gz HHSAPBSTTDUXOM-AWEZNQCLSA-N 0 3 311.788 2.356 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@@H]1C ZINC000994353573 647917569 /nfs/dbraw/zinc/91/75/69/647917569.db2.gz SOPDODWMXNILEO-XJKSGUPXSA-N 0 3 312.417 2.261 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1cc(C)ccc1Cl ZINC000916918584 647939715 /nfs/dbraw/zinc/93/97/15/647939715.db2.gz NYGZBAGUHOGRGS-LLVKDONJSA-N 0 3 306.749 2.038 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000916918679 647939839 /nfs/dbraw/zinc/93/98/39/647939839.db2.gz VKKUTMZTYKRVNJ-GXFFZTMASA-N 0 3 306.749 2.118 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000821325101 648034235 /nfs/dbraw/zinc/03/42/35/648034235.db2.gz MDLZSMRPQAUKTB-CQSZACIVSA-N 0 3 319.380 2.396 20 30 DEEDHN C[C@@H]1CN=C(N2CCN(CC3CCC(C#N)CC3)CC2)S1 ZINC000930013389 648063928 /nfs/dbraw/zinc/06/39/28/648063928.db2.gz CREOYWXCAIZKDC-WLYUNCDWSA-N 0 3 306.479 2.425 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@@H]1C=CCC1)CCO2 ZINC000949024524 648211579 /nfs/dbraw/zinc/21/15/79/648211579.db2.gz FNMHYRRUUQQLSY-MRXNPFEDSA-N 0 3 304.434 2.222 20 30 DEEDHN C#CCSCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823861503 648492746 /nfs/dbraw/zinc/49/27/46/648492746.db2.gz KXWYAIIQGLLWFD-SNVBAGLBSA-N 0 3 305.382 2.023 20 30 DEEDHN C#CCSCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823861503 648492748 /nfs/dbraw/zinc/49/27/48/648492748.db2.gz KXWYAIIQGLLWFD-SNVBAGLBSA-N 0 3 305.382 2.023 20 30 DEEDHN N#Cc1ccc(N2CCC(N[C@@H]3CCn4ccnc43)CC2)cc1 ZINC000824526861 648602540 /nfs/dbraw/zinc/60/25/40/648602540.db2.gz QFCPYUJNYUBDNH-QGZVFWFLSA-N 0 3 307.401 2.458 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)C(C)(C)C1 ZINC000940933223 648969548 /nfs/dbraw/zinc/96/95/48/648969548.db2.gz WIEVEYXUAQZFDR-CQSZACIVSA-N 0 3 304.438 2.053 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CC2CC(OCC)C2)C(C)(C)C1 ZINC000940972656 648976588 /nfs/dbraw/zinc/97/65/88/648976588.db2.gz OVDBNANNTICKRY-JCYILVPMSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2OC)C(C)(C)C1 ZINC000941003146 648981613 /nfs/dbraw/zinc/98/16/13/648981613.db2.gz SWTLIRVXJPFQLJ-AWEZNQCLSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cn(C)nc2Cl)C(C)(C)C1 ZINC000941027207 648988599 /nfs/dbraw/zinc/98/85/99/648988599.db2.gz BVGFAZHWKITNFA-ZDUSSCGKSA-N 0 3 324.856 2.019 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)Cc2cccnc2C)C(C)(C)C1 ZINC000941033315 648989780 /nfs/dbraw/zinc/98/97/80/648989780.db2.gz NWKRIZXVCCKDGF-MRXNPFEDSA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2scnc2COC)C(C)(C)C1 ZINC000941085928 648999090 /nfs/dbraw/zinc/99/90/90/648999090.db2.gz ZFFGTIYAAPMGQK-ZDUSSCGKSA-N 0 3 323.462 2.306 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCOC2)C(C)(C)C1 ZINC000941226755 649025975 /nfs/dbraw/zinc/02/59/75/649025975.db2.gz SCBQWFLIZQNSGA-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000827458853 649037361 /nfs/dbraw/zinc/03/73/61/649037361.db2.gz FGTHDIOLFOGICS-HNNXBMFYSA-N 0 3 313.401 2.314 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C[C@@H]1C ZINC000947899019 649123783 /nfs/dbraw/zinc/12/37/83/649123783.db2.gz CSNOCYRQQABIHM-GOEBONIOSA-N 0 3 313.445 2.500 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](C)C1 ZINC000942053886 649145183 /nfs/dbraw/zinc/14/51/83/649145183.db2.gz VTTBDECSVYOEMA-WMLDXEAASA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(Cl)cnn2CC)[C@H](C)C1 ZINC000942079966 649152552 /nfs/dbraw/zinc/15/25/52/649152552.db2.gz STSUVPARYHGCCC-TZMCWYRMSA-N 0 3 322.840 2.020 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000942098861 649156851 /nfs/dbraw/zinc/15/68/51/649156851.db2.gz BMWNIVHZMAJRSD-PBHICJAKSA-N 0 3 314.404 2.317 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3ccsc32)[C@H](C)C1 ZINC000942113307 649159495 /nfs/dbraw/zinc/15/94/95/649159495.db2.gz NSPNFJRYOGMABN-NEPJUHHUSA-N 0 3 316.430 2.318 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nccc3cccnc32)[C@H](C)C1 ZINC000942140123 649164910 /nfs/dbraw/zinc/16/49/10/649164910.db2.gz JKSXZHAAURTUSC-HIFRSBDPSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2OCC=C)[C@@H](C)C1 ZINC000942192961 649180287 /nfs/dbraw/zinc/18/02/87/649180287.db2.gz PYWBESZBOZSBBF-DOTOQJQBSA-N 0 3 312.413 2.325 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2C2CCC2)[C@@H](C)C1 ZINC000942196996 649181337 /nfs/dbraw/zinc/18/13/37/649181337.db2.gz SXYJMFKKFVPEAO-XJKSGUPXSA-N 0 3 316.449 2.314 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000942200202 649182148 /nfs/dbraw/zinc/18/21/48/649182148.db2.gz KKUBTRSMVMJMBL-GOEBONIOSA-N 0 3 324.428 2.037 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(COC)cs2)[C@@H](C)C1 ZINC000942270663 649193624 /nfs/dbraw/zinc/19/36/24/649193624.db2.gz FGMYUZPYCHFZAZ-DZGCQCFKSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000942365205 649210849 /nfs/dbraw/zinc/21/08/49/649210849.db2.gz DMRBXRYNBPXJOZ-GOEBONIOSA-N 0 3 300.402 2.077 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)[C@H](C)C1 ZINC000942486066 649227622 /nfs/dbraw/zinc/22/76/22/649227622.db2.gz LUCFDOVNJMWDBL-HIFRSBDPSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)[C@H](C)C1 ZINC000942546872 649242383 /nfs/dbraw/zinc/24/23/83/649242383.db2.gz BRBDTFHTGSVLQI-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](C)C1 ZINC000942551135 649243147 /nfs/dbraw/zinc/24/31/47/649243147.db2.gz PBSYLKRLYKQYOV-XJKSGUPXSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c(COC)c2)[C@@H](C)C1 ZINC000942616801 649263426 /nfs/dbraw/zinc/26/34/26/649263426.db2.gz MLTOIYYVACIXRB-SUMWQHHRSA-N 0 3 318.392 2.046 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](C)C1 ZINC000942894520 649299006 /nfs/dbraw/zinc/29/90/06/649299006.db2.gz NEKOIUBHTBIDNT-DZGCQCFKSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cnccc3n2)[C@@H](C)C1 ZINC000942939784 649303787 /nfs/dbraw/zinc/30/37/87/649303787.db2.gz QSSPFVFXVOEQQH-DZGCQCFKSA-N 0 3 310.401 2.256 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H](C)C1 ZINC000942958410 649306596 /nfs/dbraw/zinc/30/65/96/649306596.db2.gz FMDIYRDGRGNCHJ-BEFAXECRSA-N 0 3 310.441 2.251 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccsc2C)[C@@H](C)C1 ZINC000943336646 649368694 /nfs/dbraw/zinc/36/86/94/649368694.db2.gz VYFQUXAIMXYGBK-BBRMVZONSA-N 0 3 304.459 2.449 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(C)c2)[C@H](C)C1 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20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(COC)cc2)[C@@H](C)C1 ZINC000944891561 649581243 /nfs/dbraw/zinc/58/12/43/649581243.db2.gz UZSCOYGRGWHOEM-YJBOKZPZSA-N 0 3 314.429 2.297 20 30 DEEDHN CCC(=O)N1CCCC[C@@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000073087329 649603828 /nfs/dbraw/zinc/60/38/28/649603828.db2.gz MEGZITJSOWRHMR-NWDGAFQWSA-N 0 3 305.403 2.419 20 30 DEEDHN C[C@@H](CC#N)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000832053617 649671908 /nfs/dbraw/zinc/67/19/08/649671908.db2.gz UJKLRLIXZQJFKW-ZDUSSCGKSA-N 0 3 315.417 2.304 20 30 DEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844359560 651116782 /nfs/dbraw/zinc/11/67/82/651116782.db2.gz BMEJVMYNQHOTFX-RTBURBONSA-N 0 3 321.380 2.129 20 30 DEEDHN C=C[C@@H](C)ONC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000844490348 651135648 /nfs/dbraw/zinc/13/56/48/651135648.db2.gz NBXLWZWRYFIRKD-CQSZACIVSA-N 0 3 318.421 2.456 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000844812179 651172547 /nfs/dbraw/zinc/17/25/47/651172547.db2.gz 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C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001016130340 687531953 /nfs/dbraw/zinc/53/19/53/687531953.db2.gz GQINUZFXDTUYNJ-WBVHZDCISA-N 0 3 300.402 2.415 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(C)nn(CC)c2Cl)C1 ZINC001016295441 687584994 /nfs/dbraw/zinc/58/49/94/687584994.db2.gz SOXBEVBERZSXTR-GFCCVEGCSA-N 0 3 310.829 2.245 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001016385764 687608764 /nfs/dbraw/zinc/60/87/64/687608764.db2.gz TYVKVDMBAJBHRP-KRWDZBQOSA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)Cc2cccs2)CC1 ZINC001016475317 687633460 /nfs/dbraw/zinc/63/34/60/687633460.db2.gz SJYYPGRQTCBJFF-HNNXBMFYSA-N 0 3 302.443 2.285 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CC23CCN(C/C=C\Cl)CC3)c1 ZINC001016561589 687652021 /nfs/dbraw/zinc/65/20/21/687652021.db2.gz GUMSZXUJYGAOFN-QLTUCANCSA-N 0 3 318.808 2.223 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001016628797 687668469 /nfs/dbraw/zinc/66/84/69/687668469.db2.gz 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687714643 /nfs/dbraw/zinc/71/46/43/687714643.db2.gz DQSUMINSNZTATM-INMHGKMJSA-N 0 3 312.413 2.377 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2scnc2C2CC2)CC1 ZINC001016865923 687722511 /nfs/dbraw/zinc/72/25/11/687722511.db2.gz FMHRMUYQCPELRB-ZDUSSCGKSA-N 0 3 315.442 2.238 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cnc(CC)s2)CC1 ZINC001016991723 687751378 /nfs/dbraw/zinc/75/13/78/687751378.db2.gz DVPXLWCJHQKYKT-CQSZACIVSA-N 0 3 317.458 2.313 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)Cc2cncc(F)c2)C1 ZINC001017076132 687781692 /nfs/dbraw/zinc/78/16/92/687781692.db2.gz FFFAORNYFAIUQN-KBPBESRZSA-N 0 3 318.396 2.051 20 30 DEEDHN C=C(C)CS(=O)(=O)N(CC(C)C)CC1CCN(C)CC1 ZINC000867865209 687814502 /nfs/dbraw/zinc/81/45/02/687814502.db2.gz VPIYPVQMENILNB-UHFFFAOYSA-N 0 3 302.484 2.192 20 30 DEEDHN C=CCCn1cc(C(=O)N2c3ccccc3[C@@H](N)C2(C)C)nn1 ZINC000867987160 687863434 /nfs/dbraw/zinc/86/34/34/687863434.db2.gz HVOJFDLRWHBQQL-OAHLLOKOSA-N 0 3 311.389 2.293 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)C2 ZINC000868037401 687886212 /nfs/dbraw/zinc/88/62/12/687886212.db2.gz DRKKIMNRLOOVSM-ZWKOTPCHSA-N 0 3 305.381 2.232 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001017554567 687910940 /nfs/dbraw/zinc/91/09/40/687910940.db2.gz DOIIIMCLTIUDGV-OWCLPIDISA-N 0 3 314.433 2.081 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC23CCOCC3)CC1 ZINC000868284213 687968960 /nfs/dbraw/zinc/96/89/60/687968960.db2.gz RNDQLBKNISNJTL-HNNXBMFYSA-N 0 3 321.465 2.143 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC23CCOCC3)CC1 ZINC000868284214 687968983 /nfs/dbraw/zinc/96/89/83/687968983.db2.gz RNDQLBKNISNJTL-OAHLLOKOSA-N 0 3 321.465 2.143 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cscn1 ZINC001018033632 688033082 /nfs/dbraw/zinc/03/30/82/688033082.db2.gz AIGRPCKUECYPTK-GASCZTMLSA-N 0 3 305.447 2.327 20 30 DEEDHN COc1ccc(CN[C@H]2CCN(C(=O)C3CCC3)C2)cc1C#N ZINC001018391328 688121739 /nfs/dbraw/zinc/12/17/39/688121739.db2.gz KLKXNACOESFSCQ-INIZCTEOSA-N 0 3 313.401 2.057 20 30 DEEDHN CN(C)Cc1ccc(NC(=O)[C@]2(C#N)CCCOC2)c(F)c1 ZINC000868868618 688164399 /nfs/dbraw/zinc/16/43/99/688164399.db2.gz HFCHUDODPZSNGO-INIZCTEOSA-N 0 3 305.353 2.146 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC001019087242 688282700 /nfs/dbraw/zinc/28/27/00/688282700.db2.gz JZJVRRSMWKKWPS-JTQLQIEISA-N 0 3 302.321 2.204 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3nccs3)C2)s1 ZINC001019553099 688374371 /nfs/dbraw/zinc/37/43/71/688374371.db2.gz FJCUJEOWRJQOFJ-JTQLQIEISA-N 0 3 318.427 2.081 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC001019679526 688388751 /nfs/dbraw/zinc/38/87/51/688388751.db2.gz ZQOWZQFSUBEDSP-ZDUSSCGKSA-N 0 3 304.821 2.441 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC001019735694 688403381 /nfs/dbraw/zinc/40/33/81/688403381.db2.gz FXPILRHGEUPJAF-AWEZNQCLSA-N 0 3 302.443 2.454 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1 ZINC001027550059 688531663 /nfs/dbraw/zinc/53/16/63/688531663.db2.gz QOCYYCFEADMSKX-NSHDSACASA-N 0 3 310.319 2.274 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC001028778702 688543798 /nfs/dbraw/zinc/54/37/98/688543798.db2.gz JFHQVZKSROPQMH-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C[C@@H]1OCC[C@@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000871722378 688850897 /nfs/dbraw/zinc/85/08/97/688850897.db2.gz CLNFQGXZPAYSEJ-GOEBONIOSA-N 0 3 304.390 2.299 20 30 DEEDHN Cc1ccc(C)c(CN2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001031603254 688960718 /nfs/dbraw/zinc/96/07/18/688960718.db2.gz LZTXWWFUCKNGHQ-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cccc(OCCC)c2)C1 ZINC001031710636 688983751 /nfs/dbraw/zinc/98/37/51/688983751.db2.gz QSJNWLZCHPUNIJ-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001032179123 689078293 /nfs/dbraw/zinc/07/82/93/689078293.db2.gz JQLSRYFZWVGHNS-UHFFFAOYSA-N 0 3 314.429 2.297 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cccnc2OC(C)C)C1 ZINC001032233503 689088754 /nfs/dbraw/zinc/08/87/54/689088754.db2.gz JSMHPNOKDJJLHE-UHFFFAOYSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000872881618 689112142 /nfs/dbraw/zinc/11/21/42/689112142.db2.gz PCBKGFKHVMKVSE-BHYGNILZSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001032486810 689164906 /nfs/dbraw/zinc/16/49/06/689164906.db2.gz VPFSUAFHEOJIPP-KCXAZCMYSA-N 0 3 316.449 2.381 20 30 DEEDHN COc1ccc(C[C@@](C)(CO)NCc2ccc(C#N)o2)cc1 ZINC000873191595 689179525 /nfs/dbraw/zinc/17/95/25/689179525.db2.gz QGSCSAISLKAHGS-KRWDZBQOSA-N 0 3 300.358 2.243 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1ccc(C)n1 ZINC001032559569 689186587 /nfs/dbraw/zinc/18/65/87/689186587.db2.gz JXBNLGUWTRJRQM-PMPSAXMXSA-N 0 3 302.422 2.004 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)[nH]c1=O ZINC001032667193 689218471 /nfs/dbraw/zinc/21/84/71/689218471.db2.gz YDSVWBWEQDJQPK-KBPBESRZSA-N 0 3 315.417 2.385 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCC ZINC001032673546 689221410 /nfs/dbraw/zinc/22/14/10/689221410.db2.gz XCIPUFBQGUUEPN-QAETUUGQSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOc2ccccc21 ZINC001032686299 689224421 /nfs/dbraw/zinc/22/44/21/689224421.db2.gz MZMMKQNTZSEXEC-ZOBUZTSGSA-N 0 3 312.413 2.414 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCOC1 ZINC001032706623 689230478 /nfs/dbraw/zinc/23/04/78/689230478.db2.gz RUMJOBASTXVBLM-IKGGRYGDSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000930905781 694268162 /nfs/dbraw/zinc/26/81/62/694268162.db2.gz ZGRUMAMMIAFNBX-LLVKDONJSA-N 0 3 307.360 2.218 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001032752436 689247770 /nfs/dbraw/zinc/24/77/70/689247770.db2.gz LWBVFJMWRZGJSW-HRCADAONSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccccc2n1 ZINC001032765275 689252749 /nfs/dbraw/zinc/25/27/49/689252749.db2.gz FPKNOMRVAUDADK-GJZGRUSLSA-N 0 3 310.401 2.199 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001033111274 689392161 /nfs/dbraw/zinc/39/21/61/689392161.db2.gz MQVMNBZZCZJHDY-KRWDZBQOSA-N 0 3 314.429 2.482 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033310320 689457863 /nfs/dbraw/zinc/45/78/63/689457863.db2.gz RVTZCQVCDYHEOU-SFHVURJKSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001033386095 689483104 /nfs/dbraw/zinc/48/31/04/689483104.db2.gz ZJTINEZTHFFQML-QGZVFWFLSA-N 0 3 307.397 2.404 20 30 DEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874821063 689497949 /nfs/dbraw/zinc/49/79/49/689497949.db2.gz IQEYZIZYOIQALI-DLBZAZTESA-N 0 3 308.385 2.348 20 30 DEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000874824175 689499910 /nfs/dbraw/zinc/49/99/10/689499910.db2.gz DLOJBKYYLDKGJL-BSDSXHPESA-N 0 3 309.413 2.357 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001033509060 689524820 /nfs/dbraw/zinc/52/48/20/689524820.db2.gz GUXWDHPQMURHBZ-WMZOPIPTSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(OC(C)C)n2)C1 ZINC001033541225 689535892 /nfs/dbraw/zinc/53/58/92/689535892.db2.gz QFAHICLOSVBSGA-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001033586206 689552281 /nfs/dbraw/zinc/55/22/81/689552281.db2.gz SCFXEVOFNDBZBD-LBPRGKRZSA-N 0 3 316.361 2.052 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001033587154 689553164 /nfs/dbraw/zinc/55/31/64/689553164.db2.gz DIHZRNBRLMIVEU-QAPCUYQASA-N 0 3 314.429 2.407 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001033649551 689571306 /nfs/dbraw/zinc/57/13/06/689571306.db2.gz BJHCZWOMPOFREA-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001033696558 689587199 /nfs/dbraw/zinc/58/71/99/689587199.db2.gz VTFTZPWMRDQBGP-CVEARBPZSA-N 0 3 304.438 2.170 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnn(C3CCC3)c2)C1 ZINC001033827816 689629491 /nfs/dbraw/zinc/62/94/91/689629491.db2.gz JMSFOGKOFDOAMO-KRWDZBQOSA-N 0 3 314.433 2.168 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033837994 689633437 /nfs/dbraw/zinc/63/34/37/689633437.db2.gz LRBPTKAZTWQEED-OKZBNKHCSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn3c2CCCC3)C1 ZINC001033861727 689642149 /nfs/dbraw/zinc/64/21/49/689642149.db2.gz NYYUKJDKEBQRSF-INIZCTEOSA-N 0 3 313.445 2.384 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC001033895235 689653655 /nfs/dbraw/zinc/65/36/55/689653655.db2.gz FPLRNHZLGCIVCN-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN([C@@H](C)COC)C2)cc1 ZINC001033921496 689661826 /nfs/dbraw/zinc/66/18/26/689661826.db2.gz BGOBOHJYUQNAKQ-MAUKXSAKSA-N 0 3 314.429 2.239 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(CCC)on2)C1 ZINC001034003832 689689272 /nfs/dbraw/zinc/68/92/72/689689272.db2.gz HYJQMUFWJDKGEX-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001034004039 689689343 /nfs/dbraw/zinc/68/93/43/689689343.db2.gz MTGCBRFFFYYRRX-HNNXBMFYSA-N 0 3 317.433 2.462 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(OC)c2)C1 ZINC001034022371 689696450 /nfs/dbraw/zinc/69/64/50/689696450.db2.gz ATZXLSQDBWHQPM-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001034053344 689706626 /nfs/dbraw/zinc/70/66/26/689706626.db2.gz QGAXBUVVCKFALY-UCIFAOBLSA-N 0 3 300.446 2.225 20 30 DEEDHN CC(=O)N[C@@H]1CCCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001034057216 689709208 /nfs/dbraw/zinc/70/92/08/689709208.db2.gz SLGJLPUOBHSFRW-MRXNPFEDSA-N 0 3 301.390 2.080 20 30 DEEDHN C=C(C)CCN1CCCC[C@H](NC(=O)c2snnc2C)C1 ZINC001034101828 689729058 /nfs/dbraw/zinc/72/90/58/689729058.db2.gz MCQJPPUFUZICEC-ZDUSSCGKSA-N 0 3 308.451 2.397 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001034240326 689778169 /nfs/dbraw/zinc/77/81/69/689778169.db2.gz GRNSPUARTUZICL-AWEZNQCLSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001034280501 689791776 /nfs/dbraw/zinc/79/17/76/689791776.db2.gz FJOOJKYYMBWPJG-KRWDZBQOSA-N 0 3 313.445 2.353 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(OC)nc2)C1 ZINC001034298498 689800828 /nfs/dbraw/zinc/80/08/28/689800828.db2.gz MQUZIKZCGGGWMN-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001034403574 689837212 /nfs/dbraw/zinc/83/72/12/689837212.db2.gz YPCDKCVMOSGONA-LLVKDONJSA-N 0 3 311.332 2.220 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2noc3c2CCCC3)C1 ZINC001034411782 689839977 /nfs/dbraw/zinc/83/99/77/689839977.db2.gz WGEAGAOQHDCNOW-AWEZNQCLSA-N 0 3 315.417 2.161 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000876503458 689841475 /nfs/dbraw/zinc/84/14/75/689841475.db2.gz KLSKIYBQMFQZMO-KGLIPLIRSA-N 0 3 312.772 2.196 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc(C)nc2C)C1 ZINC001034443298 689851931 /nfs/dbraw/zinc/85/19/31/689851931.db2.gz FLYITEYVDSXXEF-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001034444400 689852857 /nfs/dbraw/zinc/85/28/57/689852857.db2.gz PDXKSHISANGBIJ-DOMZBBRYSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)nc(C)n2)C1 ZINC001034452457 689854697 /nfs/dbraw/zinc/85/46/97/689854697.db2.gz NRQLNQGYAZEBJI-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001034461344 689858086 /nfs/dbraw/zinc/85/80/86/689858086.db2.gz OCRPVJRNMILIRO-AWEZNQCLSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCOC)Cc1cccs1 ZINC000876563135 689858483 /nfs/dbraw/zinc/85/84/83/689858483.db2.gz YNVLCSRLUDMPKZ-LBPRGKRZSA-N 0 3 302.827 2.193 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N1CCCC1=O ZINC000876566074 689859056 /nfs/dbraw/zinc/85/90/56/689859056.db2.gz XMQMTGCABIFBBT-LLVKDONJSA-N 0 3 307.781 2.222 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1Cn1cccn1 ZINC000876570791 689860804 /nfs/dbraw/zinc/86/08/04/689860804.db2.gz OHVPZGBHFFPVQH-OAHLLOKOSA-N 0 3 318.808 2.018 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000876573987 689862162 /nfs/dbraw/zinc/86/21/62/689862162.db2.gz JYRFJRCFTAOMSM-ZDUSSCGKSA-N 0 3 322.796 2.379 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCCN(CC)C1 ZINC001034482998 689868141 /nfs/dbraw/zinc/86/81/41/689868141.db2.gz IIKCKHHTQSMNPL-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(OC2CCCC2)CC1 ZINC000876636826 689884719 /nfs/dbraw/zinc/88/47/19/689884719.db2.gz DUHJHQXHSPOINL-CQSZACIVSA-N 0 3 300.830 2.407 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000876639157 689885558 /nfs/dbraw/zinc/88/55/58/689885558.db2.gz BGGCFHUUHMTKFI-VXGBXAGGSA-N 0 3 310.781 2.105 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001034533474 689889102 /nfs/dbraw/zinc/88/91/02/689889102.db2.gz UNYMPRRIRQJAFR-CYBMUJFWSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Cl)cc1OC ZINC000876653418 689890017 /nfs/dbraw/zinc/89/00/17/689890017.db2.gz PYBFQOKSLNPYNY-NSHDSACASA-N 0 3 303.189 2.435 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2)CCOCC1 ZINC000876659244 689892288 /nfs/dbraw/zinc/89/22/88/689892288.db2.gz RRBSDEZKKHXLPB-CQSZACIVSA-N 0 3 308.809 2.278 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001034544782 689892871 /nfs/dbraw/zinc/89/28/71/689892871.db2.gz QZLRPXWEVLGIQT-AWEZNQCLSA-N 0 3 305.447 2.368 20 30 DEEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)C(F)F)CC1 ZINC001034571446 689899282 /nfs/dbraw/zinc/89/92/82/689899282.db2.gz ZJPCMGNFQSOKJA-KYZUINATSA-N 0 3 311.170 2.177 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000876675942 689898504 /nfs/dbraw/zinc/89/85/04/689898504.db2.gz PVCMDHISVCRCNP-TZMCWYRMSA-N 0 3 308.809 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000876683924 689901872 /nfs/dbraw/zinc/90/18/72/689901872.db2.gz ZLIQBAGXSQJEDG-GWCFXTLKSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1nc2c(cccc2C)o1 ZINC000876684973 689902460 /nfs/dbraw/zinc/90/24/60/689902460.db2.gz VNXCBEJKRNEVNT-LLVKDONJSA-N 0 3 307.781 2.265 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000876695627 689905938 /nfs/dbraw/zinc/90/59/38/689905938.db2.gz CYGVTCBXFQQRLX-GFCCVEGCSA-N 0 3 311.769 2.416 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000876708982 689910809 /nfs/dbraw/zinc/91/08/09/689910809.db2.gz GEYQWTURCKLGOV-CYBMUJFWSA-N 0 3 320.824 2.321 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCN1CCc2ccccc21 ZINC000876724291 689916135 /nfs/dbraw/zinc/91/61/35/689916135.db2.gz SHVIJTKRJDZVMW-CQSZACIVSA-N 0 3 307.825 2.025 20 30 DEEDHN C#CC1(O)CCN(Cc2cnc(N(C)C)c3ccccc23)CC1 ZINC000931151793 694328527 /nfs/dbraw/zinc/32/85/27/694328527.db2.gz UPPBFLDSBUUGBK-UHFFFAOYSA-N 0 3 309.413 2.261 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1cnc(Cl)s1 ZINC001034935626 689995324 /nfs/dbraw/zinc/99/53/24/689995324.db2.gz VJKUFPPHGWQXGV-GFCCVEGCSA-N 0 3 323.849 2.291 20 30 DEEDHN CN(CCCNCc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000877016184 689997644 /nfs/dbraw/zinc/99/76/44/689997644.db2.gz JULXCEXUKGPQBJ-UHFFFAOYSA-N 0 3 304.394 2.300 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000877238819 690054074 /nfs/dbraw/zinc/05/40/74/690054074.db2.gz CTGIGKRZAKJVDJ-ZIAGYGMSSA-N 0 3 312.772 2.275 20 30 DEEDHN N#CCc1ccsc1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877339141 690079787 /nfs/dbraw/zinc/07/97/87/690079787.db2.gz SPWHFQVSGPXIJD-OAHLLOKOSA-N 0 3 311.410 2.258 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC[C@@H]1CCCO1)CC2 ZINC001035655176 690144106 /nfs/dbraw/zinc/14/41/06/690144106.db2.gz FAYFIRKYEDRKFH-INIZCTEOSA-N 0 3 306.450 2.446 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(F)cncc1F)CC2 ZINC001035717188 690159266 /nfs/dbraw/zinc/15/92/66/690159266.db2.gz SHQXXTDAEDOEHH-UHFFFAOYSA-N 0 3 321.371 2.474 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCO[C@@H]1CC)CC2 ZINC001035719169 690160438 /nfs/dbraw/zinc/16/04/38/690160438.db2.gz XJWNFZKDHDSDJS-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@@H]1CC)CC2 ZINC001035719170 690160449 /nfs/dbraw/zinc/16/04/49/690160449.db2.gz XJWNFZKDHDSDJS-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCc1ccon1)CC2 ZINC001035748183 690166926 /nfs/dbraw/zinc/16/69/26/690166926.db2.gz JZXYBMSHVUMEBA-UHFFFAOYSA-N 0 3 303.406 2.108 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1CCC(F)CC1)CC2 ZINC001035784477 690175195 /nfs/dbraw/zinc/17/51/95/690175195.db2.gz GARPLDLHGWDGGP-UHFFFAOYSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1nccc3[nH]ccc31)CC2 ZINC001035798465 690178832 /nfs/dbraw/zinc/17/88/32/690178832.db2.gz NEFARKICCZIJHC-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C=C(Cl)CN1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001035796859 690179068 /nfs/dbraw/zinc/17/90/68/690179068.db2.gz PLHPHOQNBOZLAD-AWEZNQCLSA-N 0 3 313.873 2.004 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)[nH]c1=O)CC2 ZINC001035804365 690180275 /nfs/dbraw/zinc/18/02/75/690180275.db2.gz OOACWSJAZJDCKA-UHFFFAOYSA-N 0 3 315.417 2.210 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cscn1)CC2 ZINC001035811280 690182956 /nfs/dbraw/zinc/18/29/56/690182956.db2.gz DNGBTKSUVUMJAC-UHFFFAOYSA-N 0 3 305.447 2.186 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1c(C)n[nH]c1C)CC2 ZINC001035848319 690192735 /nfs/dbraw/zinc/19/27/35/690192735.db2.gz UACICBUIWFXIIV-UHFFFAOYSA-N 0 3 316.449 2.070 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@@H](C)C1 ZINC001036136916 690271886 /nfs/dbraw/zinc/27/18/86/690271886.db2.gz KVUGDKBHENKPFR-GOEBONIOSA-N 0 3 318.465 2.349 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN(C)C[C@H]1CCOC1)c1ccccc1 ZINC000878168007 690333819 /nfs/dbraw/zinc/33/38/19/690333819.db2.gz NFLRWFQVHDQOJK-AEFFLSMTSA-N 0 3 300.402 2.395 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@H]([C@H](C)O)C1)c1ccccc1 ZINC000878390979 690393840 /nfs/dbraw/zinc/39/38/40/690393840.db2.gz GBHSTKBQYJKZSQ-QILLFSRXSA-N 0 3 300.402 2.130 20 30 DEEDHN C=C(Br)CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000878872660 690518493 /nfs/dbraw/zinc/51/84/93/690518493.db2.gz DLFFGJBSPOVMFV-NEPJUHHUSA-N 0 3 304.228 2.195 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCC[C@H]1NC(=O)C(F)F ZINC001036918158 690527898 /nfs/dbraw/zinc/52/78/98/690527898.db2.gz HMKXXZGROFBEJI-ZIAGYGMSSA-N 0 3 307.344 2.198 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000879113923 690570726 /nfs/dbraw/zinc/57/07/26/690570726.db2.gz DNTNLQYCQDRIOG-GWCFXTLKSA-N 0 3 302.296 2.257 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000879350680 690625852 /nfs/dbraw/zinc/62/58/52/690625852.db2.gz ONLZZPLBPSIARQ-UHFFFAOYSA-N 0 3 302.418 2.392 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN2CCC2CCCC2)[nH]1 ZINC001038171976 690730174 /nfs/dbraw/zinc/73/01/74/690730174.db2.gz CQXZTFQPGBUBNH-OAHLLOKOSA-N 0 3 300.406 2.271 20 30 DEEDHN CC1(C)CC(CN2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001038175925 690731355 /nfs/dbraw/zinc/73/13/55/690731355.db2.gz WNFPKBZSQLPPMS-HNNXBMFYSA-N 0 3 300.406 2.127 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncnc2sccc21 ZINC001038271050 690764045 /nfs/dbraw/zinc/76/40/45/690764045.db2.gz AJXYUNHXHBTIOU-LBPRGKRZSA-N 0 3 316.430 2.462 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001038282957 690767800 /nfs/dbraw/zinc/76/78/00/690767800.db2.gz BFQTWBCVFLNMQZ-MRXNPFEDSA-N 0 3 315.417 2.334 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038324720 690780757 /nfs/dbraw/zinc/78/07/57/690780757.db2.gz DNXBXXSVNPUVAY-AWEZNQCLSA-N 0 3 313.405 2.037 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001038334157 690785772 /nfs/dbraw/zinc/78/57/72/690785772.db2.gz BPXIINYYVMDHKG-MSOLQXFVSA-N 0 3 313.445 2.422 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001038408947 690810660 /nfs/dbraw/zinc/81/06/60/690810660.db2.gz KMHFXTUXVGMJBB-CABCVRRESA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC001038568139 690861820 /nfs/dbraw/zinc/86/18/20/690861820.db2.gz ULCGUOOYOLKCRL-AWEZNQCLSA-N 0 3 311.385 2.321 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038579749 690865503 /nfs/dbraw/zinc/86/55/03/690865503.db2.gz DSOMNSZYDBSOEA-AWEZNQCLSA-N 0 3 314.389 2.302 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC[C@@H]2CCCO2)cc1 ZINC001038588781 690868626 /nfs/dbraw/zinc/86/86/26/690868626.db2.gz JNOLSAGCWNYWHT-MSOLQXFVSA-N 0 3 312.413 2.041 20 30 DEEDHN COC(=O)c1ccc2c(c1)CCN(CCCSCC#N)C2 ZINC000880349745 690876934 /nfs/dbraw/zinc/87/69/34/690876934.db2.gz HEZJXAINSZZCFN-UHFFFAOYSA-N 0 3 304.415 2.478 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001038632174 690881953 /nfs/dbraw/zinc/88/19/53/690881953.db2.gz PLOXLUOIAPPGRU-DZGCQCFKSA-N 0 3 318.421 2.032 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1occc1CN(C)C ZINC001038643257 690884775 /nfs/dbraw/zinc/88/47/75/690884775.db2.gz GCLQVFWPRPDUDR-OAHLLOKOSA-N 0 3 305.422 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C=CCN1CCC(C)(NC(=O)c2n[nH]c3c2C[C@H](C)CC3)CC1 ZINC001045601470 692002760 /nfs/dbraw/zinc/00/27/60/692002760.db2.gz QSEQXJGBLNFSJJ-CYBMUJFWSA-N 0 3 316.449 2.305 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)c2scc3c2OCCO3)CC1 ZINC001045607593 692004275 /nfs/dbraw/zinc/00/42/75/692004275.db2.gz MSUUTSUCGKDCNH-UHFFFAOYSA-N 0 3 322.430 2.290 20 30 DEEDHN N#CC1(C[C@@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)CCC1 ZINC000886122601 692007837 /nfs/dbraw/zinc/00/78/37/692007837.db2.gz FANPHLBKPNVMGK-CABCVRRESA-N 0 3 308.809 2.408 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000886211487 692025214 /nfs/dbraw/zinc/02/52/14/692025214.db2.gz QLQBTLWXHLRXFF-HIFRSBDPSA-N 0 3 305.447 2.182 20 30 DEEDHN COC1(C(F)(F)F)CCN(C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886250044 692035448 /nfs/dbraw/zinc/03/54/48/692035448.db2.gz ZHZARPZWUSWSJK-GFCCVEGCSA-N 0 3 320.355 2.475 20 30 DEEDHN CCn1nc(C)c(CN(C)C[C@@H](O)CC2(C#N)CCC2)c1C ZINC000886303850 692049646 /nfs/dbraw/zinc/04/96/46/692049646.db2.gz HQTZJYUWFSNIGH-HNNXBMFYSA-N 0 3 304.438 2.397 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000886358286 692065608 /nfs/dbraw/zinc/06/56/08/692065608.db2.gz SITZVKGGMWKCHV-OAHLLOKOSA-N 0 3 318.392 2.008 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@]1(C)CCOC1)C2 ZINC001045976069 692067245 /nfs/dbraw/zinc/06/72/45/692067245.db2.gz QLMRLGABYUVIJK-OALUTQOASA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)c3ccccc3C)CC2)C1 ZINC001045996559 692070952 /nfs/dbraw/zinc/07/09/52/692070952.db2.gz CLOMQMXJOPXGFS-KRWDZBQOSA-N 0 3 313.445 2.013 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)c3ccccc3C)CC2)C1 ZINC001045996560 692071258 /nfs/dbraw/zinc/07/12/58/692071258.db2.gz CLOMQMXJOPXGFS-QGZVFWFLSA-N 0 3 313.445 2.013 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)CC3=CCCCC3)CC2)C1 ZINC001046011390 692073156 /nfs/dbraw/zinc/07/31/56/692073156.db2.gz CUQUCUUARCDHNH-GOSISDBHSA-N 0 3 317.477 2.281 20 30 DEEDHN C#CCN(C(=O)c1cc(Cl)cn1CC)C1CCN(C)CC1 ZINC000886572390 692113575 /nfs/dbraw/zinc/11/35/75/692113575.db2.gz 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C=C(C)CN1CC[C@](C)(NC(=O)c2ncc(C)cc2OC)C1 ZINC001046380138 692172923 /nfs/dbraw/zinc/17/29/23/692172923.db2.gz QTPYXKCGBYVUPT-KRWDZBQOSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCC1(O)CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000886766823 692186278 /nfs/dbraw/zinc/18/62/78/692186278.db2.gz SELSMXKEWBDFNF-UHFFFAOYSA-N 0 3 316.401 2.349 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886819580 692199089 /nfs/dbraw/zinc/19/90/89/692199089.db2.gz ULRQSBHKLABWKM-ZBFHGGJFSA-N 0 3 301.346 2.467 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001046522225 692211477 /nfs/dbraw/zinc/21/14/77/692211477.db2.gz QFUGTLOVKCNZFA-GOSISDBHSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001046565606 692226206 /nfs/dbraw/zinc/22/62/06/692226206.db2.gz PHZNESCJLYRMLJ-VQIMIIECSA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046598596 692233821 /nfs/dbraw/zinc/23/38/21/692233821.db2.gz 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692275935 /nfs/dbraw/zinc/27/59/35/692275935.db2.gz JJNAXUMITKBOGH-QGZVFWFLSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001046732504 692276950 /nfs/dbraw/zinc/27/69/50/692276950.db2.gz RRKPKJRWISATRT-SFHVURJKSA-N 0 3 310.401 2.089 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc3cnccc3c2)C1 ZINC001046750801 692285240 /nfs/dbraw/zinc/28/52/40/692285240.db2.gz AQOLYAFRAYVZBE-IBGZPJMESA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2oc(CCC)nc2C)C1 ZINC001046768975 692292225 /nfs/dbraw/zinc/29/22/25/692292225.db2.gz BMNIUIZDHTWWPZ-KRWDZBQOSA-N 0 3 303.406 2.153 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001046885895 692325521 /nfs/dbraw/zinc/32/55/21/692325521.db2.gz XVQPETPUXCMTEO-VQIMIIECSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2nccc(C)n2)C1 ZINC001046932517 692337360 /nfs/dbraw/zinc/33/73/60/692337360.db2.gz NXYOKJUPBJCJCD-CYBMUJFWSA-N 0 3 324.375 2.048 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001046947560 692340928 /nfs/dbraw/zinc/34/09/28/692340928.db2.gz TUYUIYFFFITFIT-CYBMUJFWSA-N 0 3 311.376 2.381 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001046981720 692347968 /nfs/dbraw/zinc/34/79/68/692347968.db2.gz UPZCJVQGQOYHGQ-KBPBESRZSA-N 0 3 310.388 2.273 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C(C)C)c2C)C1 ZINC001047498335 692430302 /nfs/dbraw/zinc/43/03/02/692430302.db2.gz QDEQEJBPMKZTKX-IRXDYDNUSA-N 0 3 319.449 2.071 20 30 DEEDHN Cc1nc(CN[C@@H](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)cs1 ZINC001047836663 692496893 /nfs/dbraw/zinc/49/68/93/692496893.db2.gz QDLPDZUWRDBVMS-WFASDCNBSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NCc2cc(OC)no2)C1 ZINC001047932390 692516545 /nfs/dbraw/zinc/51/65/45/692516545.db2.gz PSEZPUITHYOERQ-OLZOCXBDSA-N 0 3 321.421 2.222 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NCc2ccn(C)n2)C1 ZINC001047929358 692516564 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C#CCN1CCC[C@@H](NC(=O)Cc2ccc(OC)cc2C)CC1 ZINC001052410280 693527976 /nfs/dbraw/zinc/52/79/76/693527976.db2.gz RHTUINIYAHNAFL-QGZVFWFLSA-N 0 3 314.429 2.150 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC001052429258 693532539 /nfs/dbraw/zinc/53/25/39/693532539.db2.gz LWWTUPBFNFCSSM-KRWDZBQOSA-N 0 3 314.404 2.461 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cccnc2C(F)F)CC1 ZINC001052550525 693565025 /nfs/dbraw/zinc/56/50/25/693565025.db2.gz RFXSUBOMODFJBT-LBPRGKRZSA-N 0 3 307.344 2.237 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2nc(Cl)sc2C)CC1 ZINC001052551496 693565783 /nfs/dbraw/zinc/56/57/83/693565783.db2.gz CLQCFGPQDSPABU-LLVKDONJSA-N 0 3 311.838 2.322 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001052554982 693566494 /nfs/dbraw/zinc/56/64/94/693566494.db2.gz NYLKYTBSUPJSLX-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2nc(C)n3ccccc23)CC1 ZINC001052560567 693568047 /nfs/dbraw/zinc/56/80/47/693568047.db2.gz PSJSQFUJDOLZNA-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3ncccc3c2)CC1 ZINC001052677838 693594362 /nfs/dbraw/zinc/59/43/62/693594362.db2.gz RRJZNEOWAYBVBE-QGZVFWFLSA-N 0 3 307.397 2.452 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ocnc2C2CC2)CC1 ZINC001052708925 693600017 /nfs/dbraw/zinc/60/00/17/693600017.db2.gz HVYTXZYZTHYZSA-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc(OC)c2C)CC1 ZINC001052750206 693610653 /nfs/dbraw/zinc/61/06/53/693610653.db2.gz GGNOQQFIFSIMOG-HNNXBMFYSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)CC1 ZINC001052751171 693610736 /nfs/dbraw/zinc/61/07/36/693610736.db2.gz BFDVKHIKUPGCNF-GOSISDBHSA-N 0 3 323.440 2.280 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2csc(Cl)n2)CC1 ZINC001052848453 693632500 /nfs/dbraw/zinc/63/25/00/693632500.db2.gz XSWBTLUUUMNSOR-NSHDSACASA-N 0 3 311.838 2.404 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001052858302 693634837 /nfs/dbraw/zinc/63/48/37/693634837.db2.gz BRAZFIPZEMMMOC-SJORKVTESA-N 0 3 320.481 2.135 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ncccc2Cl)CC1 ZINC001052880629 693639593 /nfs/dbraw/zinc/63/95/93/693639593.db2.gz PJGUCLRSOYNDCS-ZDUSSCGKSA-N 0 3 305.809 2.343 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc(N(C)C)c2)CC1 ZINC001052892696 693642613 /nfs/dbraw/zinc/64/26/13/693642613.db2.gz JOLUNPIDFTZMQA-KRWDZBQOSA-N 0 3 313.445 2.360 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2ccccc2OC)CC1 ZINC001052917919 693649116 /nfs/dbraw/zinc/64/91/16/693649116.db2.gz JFWLDXCZMGMYGJ-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C)n(C)c2C)CC1 ZINC001052923901 693649849 /nfs/dbraw/zinc/64/98/49/693649849.db2.gz POHIXKFKXWFPGB-INIZCTEOSA-N 0 3 301.434 2.250 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc3oc(C)nc32)CC1 ZINC001052966341 693657851 /nfs/dbraw/zinc/65/78/51/693657851.db2.gz SDXCZYSEPNICAS-AWEZNQCLSA-N 0 3 311.385 2.354 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2N(C)C)CC1 ZINC001052971185 693659612 /nfs/dbraw/zinc/65/96/12/693659612.db2.gz ISUBUQRUQSWVEC-MRXNPFEDSA-N 0 3 313.445 2.360 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cn[nH]c2)C1 ZINC001053070529 693683178 /nfs/dbraw/zinc/68/31/78/693683178.db2.gz ZSCGLVFFHREAMF-RDJZCZTQSA-N 0 3 314.433 2.140 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc[nH]2)C1 ZINC001053108526 693691099 /nfs/dbraw/zinc/69/10/99/693691099.db2.gz VTWBWNDADJCYCV-SJLPKXTDSA-N 0 3 313.445 2.284 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccccc2C)[C@@H]1C ZINC001332215835 1149836335 /nfs/dbraw/zinc/83/63/35/1149836335.db2.gz BJWPUOLRUFGKIW-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001332949711 1149934662 /nfs/dbraw/zinc/93/46/62/1149934662.db2.gz JUADUWLGISRUFW-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001334276579 1150256658 /nfs/dbraw/zinc/25/66/58/1150256658.db2.gz NXHOOQAREFUJES-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@H](C)N1CC#N ZINC001334384846 1150291040 /nfs/dbraw/zinc/29/10/40/1150291040.db2.gz QOAZVFRVZKZPSO-KBPBESRZSA-N 0 3 315.446 2.352 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC(C)(C)O2)CC1 ZINC001343140975 1150693940 /nfs/dbraw/zinc/69/39/40/1150693940.db2.gz TXSHGPFJFRMOAG-OAHLLOKOSA-N 0 3 309.454 2.284 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccn(C(C)C)c1C ZINC001479677892 1150727488 /nfs/dbraw/zinc/72/74/88/1150727488.db2.gz CXNFVDDGYXRTKK-UHFFFAOYSA-N 0 3 319.449 2.031 20 30 DEEDHN C=CCC1(NC(=O)c2cc3c(s2)CNCC3)CCOCC1 ZINC001344012296 1150791967 /nfs/dbraw/zinc/79/19/67/1150791967.db2.gz UTXNMTKQADXQIU-UHFFFAOYSA-N 0 3 306.431 2.249 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC001479810776 1150822081 /nfs/dbraw/zinc/82/20/81/1150822081.db2.gz PPJLXJUOAKSOCN-OAHLLOKOSA-N 0 3 320.408 2.192 20 30 DEEDHN CCn1ccnc1C(C#N)=C([O-])c1cnn2cccc(OC)c12 ZINC001344865021 1150847199 /nfs/dbraw/zinc/84/71/99/1150847199.db2.gz WUPQGULQZFDKET-NSHDSACASA-N 0 3 309.329 2.049 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cnn2cccc(OC)c12 ZINC001344865021 1150847202 /nfs/dbraw/zinc/84/72/02/1150847202.db2.gz WUPQGULQZFDKET-NSHDSACASA-N 0 3 309.329 2.049 20 30 DEEDHN CCN(C(=O)C#CCOC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001347374693 1151060316 /nfs/dbraw/zinc/06/03/16/1151060316.db2.gz UANCTUMFIYEOKK-AEFFLSMTSA-N 0 3 314.429 2.320 20 30 DEEDHN C#CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001350330670 1151344479 /nfs/dbraw/zinc/34/44/79/1151344479.db2.gz YTORJJMELYCMTR-KRWDZBQOSA-N 0 3 311.381 2.445 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001353876337 1151859773 /nfs/dbraw/zinc/85/97/73/1151859773.db2.gz VTQJBPIXPKOXKF-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC001357546169 1152310468 /nfs/dbraw/zinc/31/04/68/1152310468.db2.gz PVUPZIDAJCFUFB-JKSUJKDBSA-N 0 3 321.465 2.110 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001358172658 1152368717 /nfs/dbraw/zinc/36/87/17/1152368717.db2.gz XFNKMKXQNMEDCZ-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN CC[C@H](OC)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001379863154 1152706109 /nfs/dbraw/zinc/70/61/09/1152706109.db2.gz ORVMBNCMMQQLTJ-GJZGRUSLSA-N 0 3 321.446 2.029 20 30 DEEDHN CSC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001402850637 1162498157 /nfs/dbraw/zinc/49/81/57/1162498157.db2.gz ITSALTQGBQXFEO-RYUDHWBXSA-N 0 3 323.437 2.291 20 30 DEEDHN C=C(Cl)CNC(=O)Cc1csc(SCCN(C)C)n1 ZINC001361992158 1152795969 /nfs/dbraw/zinc/79/59/69/1152795969.db2.gz VCOFNXFABPRDFX-UHFFFAOYSA-N 0 3 319.883 2.208 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@](C)(CNCc2ccccc2C#N)C1 ZINC001380394312 1152805806 /nfs/dbraw/zinc/80/58/06/1152805806.db2.gz ALYNIIJQQJXOLN-KSSFIOAISA-N 0 3 310.401 2.046 20 30 DEEDHN Cc1cncc(CNC2(CNC(=O)c3ccc(C#N)[nH]3)CCC2)c1 ZINC001380857952 1152866975 /nfs/dbraw/zinc/86/69/75/1152866975.db2.gz OCKVIZZIUDSSJU-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2nc[nH]c2C)c1 ZINC001362299697 1152872370 /nfs/dbraw/zinc/87/23/70/1152872370.db2.gz TZJAFCWWWZGWTR-AWEZNQCLSA-N 0 3 312.373 2.258 20 30 DEEDHN Cc1cncc(CN2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)c1 ZINC001380925200 1152878741 /nfs/dbraw/zinc/87/87/41/1152878741.db2.gz MGEOSJXJSOCHRH-ZBFHGGJFSA-N 0 3 300.406 2.020 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC001362449979 1152912797 /nfs/dbraw/zinc/91/27/97/1152912797.db2.gz WJWNIQJJKLSSCK-HFTRVMKXSA-N 0 3 311.429 2.358 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CC[C@@H]2CCCO2)C1 ZINC001381314446 1153003322 /nfs/dbraw/zinc/00/33/22/1153003322.db2.gz ZPMBZLONAABMIU-RUXDESIVSA-N 0 3 300.830 2.183 20 30 DEEDHN CN(C)Cc1ccc(NC(=O)Cc2ccc(C#N)nc2)c(F)c1 ZINC001362737302 1153064896 /nfs/dbraw/zinc/06/48/96/1153064896.db2.gz LQIUEGKATPBORL-UHFFFAOYSA-N 0 3 312.348 2.335 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)CCCF)C1 ZINC001381964507 1153292723 /nfs/dbraw/zinc/29/27/23/1153292723.db2.gz AFMUSVYAAHWDMB-XYPYZODXSA-N 0 3 307.207 2.129 20 30 DEEDHN Cc1nc(CNC[C@@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001480642963 1153459058 /nfs/dbraw/zinc/45/90/58/1153459058.db2.gz WXQNGHNOCAPMER-AWEZNQCLSA-N 0 3 305.447 2.049 20 30 DEEDHN CCN1C[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C(C)(C)C1 ZINC001363652905 1153529434 /nfs/dbraw/zinc/52/94/34/1153529434.db2.gz MFMBJBVEVKIRFB-BBRMVZONSA-N 0 3 315.417 2.172 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001389649725 1155388832 /nfs/dbraw/zinc/38/88/32/1155388832.db2.gz IOUREYWDFMQPCE-RGYTYGDFSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001389872859 1155458269 /nfs/dbraw/zinc/45/82/69/1155458269.db2.gz RDYMMHJPCNVKQF-GMTAPVOTSA-N 0 3 307.207 2.126 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)[C@H]2CCCO2)C1 ZINC001390005457 1155497004 /nfs/dbraw/zinc/49/70/04/1155497004.db2.gz LRSQLMIFHWGTTM-RUZUBIRVSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001371773958 1156009092 /nfs/dbraw/zinc/00/90/92/1156009092.db2.gz REGWSVUBPCSTEG-DGCLKSJQSA-N 0 3 324.856 2.316 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001391104169 1156116374 /nfs/dbraw/zinc/11/63/74/1156116374.db2.gz VPLRSGMYKMQKEC-CQSZACIVSA-N 0 3 315.889 2.155 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccsn1)NCc1ccc(C#N)s1 ZINC001391701951 1156711056 /nfs/dbraw/zinc/71/10/56/1156711056.db2.gz ZIRSIVGCTQAAED-JTQLQIEISA-N 0 3 320.443 2.374 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2snnc2C)CCCC1 ZINC001373835349 1157396946 /nfs/dbraw/zinc/39/69/46/1157396946.db2.gz UNKKQIPIEJZYGI-UHFFFAOYSA-N 0 3 314.842 2.231 20 30 DEEDHN CC(C)(C)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001392950650 1157562105 /nfs/dbraw/zinc/56/21/05/1157562105.db2.gz RQVDCKNZIIRSLF-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C#N)[nH]2)CCCC1 ZINC001374160203 1157676006 /nfs/dbraw/zinc/67/60/06/1157676006.db2.gz RJWOYEYIOAGVKJ-UHFFFAOYSA-N 0 3 306.797 2.271 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(CCc2ccns2)C1 ZINC001393183440 1157742543 /nfs/dbraw/zinc/74/25/43/1157742543.db2.gz DHUIINBMCCHMDR-CJNGLKHVSA-N 0 3 320.462 2.064 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(CCc2ccns2)C1 ZINC001393183442 1157743826 /nfs/dbraw/zinc/74/38/26/1157743826.db2.gz DHUIINBMCCHMDR-CZUORRHYSA-N 0 3 320.462 2.064 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C)n[nH]1 ZINC001374399216 1157839034 /nfs/dbraw/zinc/83/90/34/1157839034.db2.gz UGZVJMRLYCANII-YGRLFVJLSA-N 0 3 310.829 2.301 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C)[nH]n1 ZINC001374399216 1157839037 /nfs/dbraw/zinc/83/90/37/1157839037.db2.gz UGZVJMRLYCANII-YGRLFVJLSA-N 0 3 310.829 2.301 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)C2=CCCC2)C1 ZINC001403499922 1162907025 /nfs/dbraw/zinc/90/70/25/1162907025.db2.gz NEYSSHAAGJHMAX-AULYBMBSSA-N 0 3 313.239 2.490 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001393761279 1157958758 /nfs/dbraw/zinc/95/87/58/1157958758.db2.gz QWUNTUXOTYNZML-AWEZNQCLSA-N 0 3 315.889 2.296 20 30 DEEDHN CC(C)Oc1ccccc1CNC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001374738815 1157995885 /nfs/dbraw/zinc/99/58/85/1157995885.db2.gz SDHHTAWXAGOALP-UONOGXRCSA-N 0 3 303.406 2.228 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CC1(C)C ZINC001374750454 1158005132 /nfs/dbraw/zinc/00/51/32/1158005132.db2.gz UFXJXRXMJJPDKP-RISCZKNCSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnn(CC)c1 ZINC001394014218 1158163688 /nfs/dbraw/zinc/16/36/88/1158163688.db2.gz DHKRNUYICUTBFN-UHFFFAOYSA-N 0 3 312.845 2.343 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001394047124 1158203333 /nfs/dbraw/zinc/20/33/33/1158203333.db2.gz DQNNHCWIPLUVGH-HUUCEWRRSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001394370733 1158438791 /nfs/dbraw/zinc/43/87/91/1158438791.db2.gz NKKWIKNUUQEFMT-AAVRWANBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001394390515 1158475828 /nfs/dbraw/zinc/47/58/28/1158475828.db2.gz LMNDHEXWYHIOQI-MQMHXKEQSA-N 0 3 310.829 2.315 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)CC)C1 ZINC001375476518 1158737913 /nfs/dbraw/zinc/73/79/13/1158737913.db2.gz NQCXMWYXKRANNY-JLLWLGSASA-N 0 3 303.244 2.426 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001376239294 1159270767 /nfs/dbraw/zinc/27/07/67/1159270767.db2.gz IOUREYWDFMQPCE-KCTSRDHCSA-N 0 3 315.392 2.338 20 30 DEEDHN Cc1nocc1CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C2 ZINC001376366199 1159363947 /nfs/dbraw/zinc/36/39/47/1159363947.db2.gz NMLWXVOGHDBTGM-YUDUHTQSSA-N 0 3 316.405 2.002 20 30 DEEDHN C[C@@H](CCNC(=O)C1(C)CC1)NCc1cc(C#N)ccc1F ZINC001377025145 1159879834 /nfs/dbraw/zinc/87/98/34/1159879834.db2.gz PWEADKZSOGAIGP-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1COc2ccccc2C1 ZINC001377048692 1159884995 /nfs/dbraw/zinc/88/49/95/1159884995.db2.gz PZONDSAEKGIUDG-DZGCQCFKSA-N 0 3 322.836 2.475 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H](C)Oc1ccccn1 ZINC001377106068 1159903462 /nfs/dbraw/zinc/90/34/62/1159903462.db2.gz SYLWOOCTUODHHB-OLZOCXBDSA-N 0 3 311.813 2.086 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(CCOC)CC2)C1 ZINC001397059292 1159930158 /nfs/dbraw/zinc/93/01/58/1159930158.db2.gz WOCJIPIGTHZLHO-BETUJISGSA-N 0 3 300.830 2.040 20 30 DEEDHN CC(C)OCCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378010582 1160914959 /nfs/dbraw/zinc/91/49/59/1160914959.db2.gz WICDUQSEWKMEIA-HNNXBMFYSA-N 0 3 317.433 2.310 20 30 DEEDHN CS[C@@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001398485919 1160915349 /nfs/dbraw/zinc/91/53/49/1160915349.db2.gz JLGPQQHZZPUMEU-RYUDHWBXSA-N 0 3 323.487 2.452 20 30 DEEDHN C[C@@H](CNC(=O)c1cscn1)NCc1ccc(F)c(C#N)c1 ZINC001398862975 1161127145 /nfs/dbraw/zinc/12/71/45/1161127145.db2.gz CRCDANVCPMFJRS-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2ccccc2n1 ZINC001399347525 1161358080 /nfs/dbraw/zinc/35/80/80/1161358080.db2.gz YAMGXGHUXYWFHY-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2csc(=O)[nH]2)CCCC1 ZINC001400955352 1161851898 /nfs/dbraw/zinc/85/18/98/1161851898.db2.gz OULCXJREIQYOQF-UHFFFAOYSA-N 0 3 315.826 2.233 20 30 DEEDHN C[C@@H](C(=O)NCC1(NCc2cccc(C#N)c2)CC1)n1cccc1 ZINC001401940127 1162190435 /nfs/dbraw/zinc/19/04/35/1162190435.db2.gz XYNRVAIGGWXHDG-HNNXBMFYSA-N 0 3 322.412 2.359 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](NC(C)=O)C(C)(C)C ZINC001403935086 1163309084 /nfs/dbraw/zinc/30/90/84/1163309084.db2.gz CMJBPGAFOZJYJA-MRXNPFEDSA-N 0 3 303.406 2.207 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)cc1F ZINC001404038111 1163391940 /nfs/dbraw/zinc/39/19/40/1163391940.db2.gz KBKIMMKAIRNEJU-HIFRSBDPSA-N 0 3 303.381 2.232 20 30 DEEDHN CCCN(CCNC(=O)Cc1ccc[nH]1)Cc1cccc(C#N)c1 ZINC001404185125 1163501133 /nfs/dbraw/zinc/50/11/33/1163501133.db2.gz XTFZVLQPWZJOKF-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C[C@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001404879155 1163844406 /nfs/dbraw/zinc/84/44/06/1163844406.db2.gz VPALIBGRIZICRL-UONOGXRCSA-N 0 3 311.429 2.444 20 30 DEEDHN CC[C@@H](CNC(=O)Cc1ccoc1)NCc1ccc(C#N)s1 ZINC001405212568 1164015797 /nfs/dbraw/zinc/01/57/97/1164015797.db2.gz KCVSGVPQDSJAEM-ZDUSSCGKSA-N 0 3 317.414 2.440 20 30 DEEDHN CCN(CCNC(=O)c1c(C)ccn1C)Cc1cccc(C#N)c1 ZINC001492942271 1164147941 /nfs/dbraw/zinc/14/79/41/1164147941.db2.gz ROLITRSVBNQVGK-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccns1 ZINC001407516751 1165178407 /nfs/dbraw/zinc/17/84/07/1165178407.db2.gz AXCKOEURGWDCHX-FQUUOJAGSA-N 0 3 318.446 2.162 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2cccnc2C)C1 ZINC001417792681 1167216515 /nfs/dbraw/zinc/21/65/15/1167216515.db2.gz RWLDXKORTQLIFI-CTYIDZIISA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001417893597 1167288717 /nfs/dbraw/zinc/28/87/17/1167288717.db2.gz XMZMPXFKOBOUOD-TZMCWYRMSA-N 0 3 310.829 2.145 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001417895761 1167290264 /nfs/dbraw/zinc/29/02/64/1167290264.db2.gz MLKDZGIJSNYILC-UHFFFAOYSA-N 0 3 313.873 2.146 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418205142 1167487121 /nfs/dbraw/zinc/48/71/21/1167487121.db2.gz PKKGPIHLNODTPF-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418205144 1167487579 /nfs/dbraw/zinc/48/75/79/1167487579.db2.gz PKKGPIHLNODTPF-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)CCCF)C2CC2)c(F)c1 ZINC001419280130 1168370544 /nfs/dbraw/zinc/37/05/44/1168370544.db2.gz QXEXMTAJGZDSFH-MRXNPFEDSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ocnc1CC)C1CC1 ZINC001419337293 1168409226 /nfs/dbraw/zinc/40/92/26/1168409226.db2.gz ANIDEOHZWPQTNU-HNNXBMFYSA-N 0 3 311.813 2.478 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001419403903 1168448964 /nfs/dbraw/zinc/44/89/64/1168448964.db2.gz WZQYLCGIYWSGSJ-DLOVCJGASA-N 0 3 309.772 2.376 20 30 DEEDHN CO[C@H](C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001419700788 1168809222 /nfs/dbraw/zinc/80/92/22/1168809222.db2.gz BUKURJPWTLDCHQ-WFASDCNBSA-N 0 3 323.462 2.227 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)NCc1ccc(C#N)cc1F ZINC001419866013 1168881563 /nfs/dbraw/zinc/88/15/63/1168881563.db2.gz PHDPREWNFDATOP-BLLLJJGKSA-N 0 3 316.380 2.087 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)[C@H](F)C(C)C ZINC001420331785 1169369568 /nfs/dbraw/zinc/36/95/68/1169369568.db2.gz NFIWHUNMTCHWDW-MLGOLLRUSA-N 0 3 321.396 2.155 20 30 DEEDHN CCN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1cccc(C#N)c1 ZINC001420380778 1169441712 /nfs/dbraw/zinc/44/17/12/1169441712.db2.gz DZOMXYYQIHHCDR-UHFFFAOYSA-N 0 3 321.384 2.010 20 30 DEEDHN CCCN(CCNC(=O)[C@H](C)C#N)Cc1ccccc1N(C)C ZINC001420576019 1169808023 /nfs/dbraw/zinc/80/80/23/1169808023.db2.gz AXMGORBZJFOCQZ-OAHLLOKOSA-N 0 3 316.449 2.240 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1[nH]c(C)nc1C)C1CC1 ZINC001421547481 1171842183 /nfs/dbraw/zinc/84/21/83/1171842183.db2.gz BWFWOHWZQOYOAT-HNNXBMFYSA-N 0 3 310.829 2.267 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2nccn2CC)CCCC1 ZINC001421823229 1172018084 /nfs/dbraw/zinc/01/80/84/1172018084.db2.gz NXDIPGIYUOAIEA-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cncnc2CC)CCCC1 ZINC001421849594 1172043907 /nfs/dbraw/zinc/04/39/07/1172043907.db2.gz VKVQICTUXRRMPM-UHFFFAOYSA-N 0 3 322.840 2.424 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]21 ZINC001422799246 1172869388 /nfs/dbraw/zinc/86/93/88/1172869388.db2.gz DYUXQVVSYDGCCI-VCOSZWKGSA-N 0 3 317.820 2.294 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001423669308 1173479375 /nfs/dbraw/zinc/47/93/75/1173479375.db2.gz CKCFPLYJNMFGEI-AWEZNQCLSA-N 0 3 315.889 2.297 20 30 DEEDHN CCC1(NCc2cscn2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001424354988 1173769610 /nfs/dbraw/zinc/76/96/10/1173769610.db2.gz BMMYLCQREFVHLD-GFCCVEGCSA-N 0 3 306.435 2.164 20 30 DEEDHN COCCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001424530836 1173821190 /nfs/dbraw/zinc/82/11/90/1173821190.db2.gz POTOFZQMAXYCGO-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)COCC1CC1 ZINC001424759636 1173906714 /nfs/dbraw/zinc/90/67/14/1173906714.db2.gz AUHKSCGACJSNSE-VXGBXAGGSA-N 0 3 321.446 2.029 20 30 DEEDHN CC1(C)Cc2n[nH]cc2CN(C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434481077 1178641083 /nfs/dbraw/zinc/64/10/83/1178641083.db2.gz XTAIQPZBLFYEEO-QGZVFWFLSA-N 0 3 310.401 2.399 20 30 DEEDHN CC(C)(CC#N)CS(=O)(=O)N1CCC(C)(C)NC(C)(C)C1 ZINC001434660343 1178834634 /nfs/dbraw/zinc/83/46/34/1178834634.db2.gz RRKQQAFFCQWBOU-UHFFFAOYSA-N 0 3 315.483 2.109 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001436664307 1179174195 /nfs/dbraw/zinc/17/41/95/1179174195.db2.gz PPUZUAAWOODGBP-CQSZACIVSA-N 0 3 310.401 2.141 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC001437602547 1179860973 /nfs/dbraw/zinc/86/09/73/1179860973.db2.gz DUNKXKPWXAGYIL-UHFFFAOYSA-N 0 3 310.829 2.093 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC001437662525 1179881199 /nfs/dbraw/zinc/88/11/99/1179881199.db2.gz SXTSQCILTRTEBA-XJKSGUPXSA-N 0 3 310.401 2.408 20 30 DEEDHN CCc1onc(C)c1CNCC1(NC(=O)[C@H](C)C#N)CCCC1 ZINC001438387828 1180386473 /nfs/dbraw/zinc/38/64/73/1180386473.db2.gz XKDKOZYMMGQFBD-GFCCVEGCSA-N 0 3 318.421 2.224 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438628339 1180695684 /nfs/dbraw/zinc/69/56/84/1180695684.db2.gz NZUWHXVTZSXVTO-QWHCGFSZSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccn2ccnc12)C(C)C ZINC001438833896 1180824913 /nfs/dbraw/zinc/82/49/13/1180824913.db2.gz XVUFSMXSMVRFHP-CQSZACIVSA-N 0 3 320.824 2.431 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001439319533 1181019407 /nfs/dbraw/zinc/01/94/07/1181019407.db2.gz OMHBHWGKGFIFHE-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccc3cncn3c2C)CC1 ZINC001439625396 1181174058 /nfs/dbraw/zinc/17/40/58/1181174058.db2.gz HMRVWVYODIDUPX-UHFFFAOYSA-N 0 3 318.808 2.247 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(CCOC2CCCCCC2)C1 ZINC001439837749 1181260544 /nfs/dbraw/zinc/26/05/44/1181260544.db2.gz RWUDXDOURCCIJN-CRAIPNDOSA-N 0 3 321.465 2.466 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001440272484 1181419019 /nfs/dbraw/zinc/41/90/19/1181419019.db2.gz OLSSXQUDSWLOPR-MJBXVCDLSA-N 0 3 300.830 2.183 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(C#N)s2)co1 ZINC001440776485 1181685212 /nfs/dbraw/zinc/68/52/12/1181685212.db2.gz GFQBLNRUZXCPTJ-NXEZZACHSA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001440799830 1181699805 /nfs/dbraw/zinc/69/98/05/1181699805.db2.gz ZVFKISOQEIYFNZ-STQMWFEESA-N 0 3 320.824 2.492 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)no1 ZINC001440900497 1181751632 /nfs/dbraw/zinc/75/16/32/1181751632.db2.gz PHOKQIYIMCQSEU-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001440997426 1181820068 /nfs/dbraw/zinc/82/00/68/1181820068.db2.gz NYYIKNVNLIBLBC-CABCVRRESA-N 0 3 324.856 2.385 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001441222502 1181900707 /nfs/dbraw/zinc/90/07/07/1181900707.db2.gz DDYGACIBYWWWSC-RGYTYGDFSA-N 0 3 315.392 2.338 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001441460878 1182005767 /nfs/dbraw/zinc/00/57/67/1182005767.db2.gz YKOAGAQCQNLECG-ZMLRMANQSA-N 0 3 309.772 2.376 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441489592 1182020989 /nfs/dbraw/zinc/02/09/89/1182020989.db2.gz CSPXOLAKROZXIJ-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@H](CNC(=O)CCC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001441790069 1182164041 /nfs/dbraw/zinc/16/40/41/1182164041.db2.gz PXNZSRKMHVXGRH-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN CCc1onc(C)c1CNC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001442158005 1182350389 /nfs/dbraw/zinc/35/03/89/1182350389.db2.gz ZVLMWMOMCLXJFJ-ABAIWWIYSA-N 0 3 320.437 2.326 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001443234807 1182888824 /nfs/dbraw/zinc/88/88/24/1182888824.db2.gz AZULNDXAXULPIY-JSGCOSHPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CCNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001443234807 1182888827 /nfs/dbraw/zinc/88/88/27/1182888827.db2.gz AZULNDXAXULPIY-JSGCOSHPSA-N 0 3 324.856 2.169 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(CNCc2ccncc2Cl)CCCC1 ZINC001444059445 1183275617 /nfs/dbraw/zinc/27/56/17/1183275617.db2.gz RWVOTECMYSXEKT-GFCCVEGCSA-N 0 3 320.824 2.413 20 30 DEEDHN C[C@@H](CNCc1csc(C2CC2)n1)CNC(=O)[C@@H](C)C#N ZINC001444311627 1183342552 /nfs/dbraw/zinc/34/25/52/1183342552.db2.gz RQHQSXZCGMANFM-QWRGUYRKSA-N 0 3 306.435 2.022 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001445689903 1183981580 /nfs/dbraw/zinc/98/15/80/1183981580.db2.gz QCIMENJHBOKFGE-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cncnc2C(C)C)C1 ZINC001447814016 1184881103 /nfs/dbraw/zinc/88/11/03/1184881103.db2.gz CGCIUSATOXAQFT-UHFFFAOYSA-N 0 3 322.840 2.451 20 30 DEEDHN CO[C@@H](C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1)C(C)C ZINC001448085670 1185065624 /nfs/dbraw/zinc/06/56/24/1185065624.db2.gz MQEVZNCSUWUTSO-WMLDXEAASA-N 0 3 317.433 2.166 20 30 DEEDHN N#CCc1ccnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164733947 720413718 /nfs/dbraw/zinc/41/37/18/720413718.db2.gz QXNCCOGUPAXGDN-ZWKOTPCHSA-N 0 3 319.412 2.396 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H](NCc2ccnn2C)C[C@H]1C ZINC001332016576 1149808455 /nfs/dbraw/zinc/80/84/55/1149808455.db2.gz VYKSDKUEGRMCDZ-CVEARBPZSA-N 0 3 316.449 2.083 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)ccc2C)C1 ZINC001332048911 1149812957 /nfs/dbraw/zinc/81/29/57/1149812957.db2.gz NVNYLEGUUMMEIN-DLBZAZTESA-N 0 3 314.429 2.146 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H](C)CSC)C1 ZINC001370624347 1149822266 /nfs/dbraw/zinc/82/22/66/1149822266.db2.gz 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CC#CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C[C@H]1C ZINC000947411529 783131313 /nfs/dbraw/zinc/13/13/13/783131313.db2.gz IITNQVWYAWLXJH-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3cnccc3s2)C[C@H]1C ZINC000947527161 783162702 /nfs/dbraw/zinc/16/27/02/783162702.db2.gz GECQQVFULXPANL-NEPJUHHUSA-N 0 3 316.430 2.460 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3cnccc3c2)C[C@@H]1C ZINC000947536755 783164389 /nfs/dbraw/zinc/16/43/89/783164389.db2.gz IOOCVSZSUGGFEC-HNAYVOBHSA-N 0 3 321.424 2.380 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2onc3c2CCCC3)C[C@@H]1C ZINC000947539959 783165260 /nfs/dbraw/zinc/16/52/60/783165260.db2.gz KLLUAXOGRUVOHH-STQMWFEESA-N 0 3 303.406 2.322 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)C[C@@H]1C ZINC000947555344 783172424 /nfs/dbraw/zinc/17/24/24/783172424.db2.gz JNHIZKBNYMPEJY-WFASDCNBSA-N 0 3 315.417 2.466 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnn(C(F)F)c2)CC(C)(C)C1 ZINC001089528405 783185569 /nfs/dbraw/zinc/18/55/69/783185569.db2.gz 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C=C(Br)CNCCCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001167591687 777364291 /nfs/dbraw/zinc/36/42/91/777364291.db2.gz LCSIOVJHWQJFMC-ZYHUDNBSSA-N 0 3 303.244 2.427 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3ccc(C)cc3C)[C@H]2C1 ZINC001083263793 777596540 /nfs/dbraw/zinc/59/65/40/777596540.db2.gz POBZPGNFMXMRCR-ZWKOTPCHSA-N 0 3 314.429 2.405 20 30 DEEDHN N#Cc1ccc(C(=O)NCCNCc2ccc(Cl)c(F)c2)[nH]1 ZINC001125775875 777646061 /nfs/dbraw/zinc/64/60/61/777646061.db2.gz CSJWKXVLSQGMKJ-UHFFFAOYSA-N 0 3 320.755 2.198 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H](OC)C1 ZINC001213419394 777667593 /nfs/dbraw/zinc/66/75/93/777667593.db2.gz VSWANMPXBUDYDH-YFHUEUNASA-N 0 3 306.450 2.348 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccn3C)C(C)(C)[C@@H]21 ZINC001087273091 777685237 /nfs/dbraw/zinc/68/52/37/777685237.db2.gz SCGDRCTXRRUAIW-DJIMGWMZSA-N 0 3 313.445 2.267 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ncoc1CC ZINC001087276950 777696490 /nfs/dbraw/zinc/69/64/90/777696490.db2.gz 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C#CCOc1ccc(C(=O)NCCCNCC(=C)Cl)cc1 ZINC001167808360 778645803 /nfs/dbraw/zinc/64/58/03/778645803.db2.gz WUOHXFHIIDPVSZ-UHFFFAOYSA-N 0 3 306.793 2.161 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC001073441413 790657970 /nfs/dbraw/zinc/65/79/70/790657970.db2.gz JSUUJCNPOSNNRW-HNNXBMFYSA-N 0 3 314.404 2.487 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C[C@]2(C)C1 ZINC000982583605 778874562 /nfs/dbraw/zinc/87/45/62/778874562.db2.gz LOJJZXDZXMZHEP-RGCFKVTRSA-N 0 3 312.413 2.187 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@H]2CN(CCOc3ccccc3)C[C@H]21 ZINC001075770643 779178681 /nfs/dbraw/zinc/17/86/81/779178681.db2.gz DTNZGSJLXOJCLL-PKOBYXMFSA-N 0 3 324.424 2.012 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1C(F)(F)F ZINC001112162165 779298912 /nfs/dbraw/zinc/29/89/12/779298912.db2.gz KCEXDSQVUDYUJH-CHWSQXEVSA-N 0 3 314.351 2.345 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@H]1CC ZINC001087633804 779387081 /nfs/dbraw/zinc/38/70/81/779387081.db2.gz 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N#Cc1ccc(CNCCNC(=O)c2sccc2F)cc1 ZINC001126703234 780436880 /nfs/dbraw/zinc/43/68/80/780436880.db2.gz YNBSNVCJZLUVNV-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@H](C)OC)[C@H](OC)C1 ZINC001212001882 780584166 /nfs/dbraw/zinc/58/41/66/780584166.db2.gz BHOPRZRDOKYDIZ-ARFHVFGLSA-N 0 3 314.470 2.197 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)[C@H]1C ZINC001088615323 780620882 /nfs/dbraw/zinc/62/08/82/780620882.db2.gz ISRCEXOHIHFXRA-DOMZBBRYSA-N 0 3 315.417 2.433 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2c(C)noc2C)C1 ZINC001100973163 780642441 /nfs/dbraw/zinc/64/24/41/780642441.db2.gz VSCWPFZVPLULFA-UHFFFAOYSA-N 0 3 311.813 2.071 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)Cc1ccco1)C[C@@H](C)O2 ZINC001098649731 780708616 /nfs/dbraw/zinc/70/86/16/780708616.db2.gz CLLRJQHPHOBOBD-OAHLLOKOSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cn2cccc(C)c2n1 ZINC001168357191 780916247 /nfs/dbraw/zinc/91/62/47/780916247.db2.gz YOFUBLCMTJTMPS-UHFFFAOYSA-N 0 3 320.824 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C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CC=C(C)C)C[C@H]21 ZINC001076263568 781188401 /nfs/dbraw/zinc/18/84/01/781188401.db2.gz ISLKDKGSRZBBLP-HZMVEIRTSA-N 0 3 304.434 2.076 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3F)[C@@H]2C1 ZINC001076283538 781198262 /nfs/dbraw/zinc/19/82/62/781198262.db2.gz IUYFTGPQKQWJJF-WMLDXEAASA-N 0 3 300.377 2.304 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc([C@@H](C)CC)no3)[C@@H]2C1 ZINC001076337855 781219023 /nfs/dbraw/zinc/21/90/23/781219023.db2.gz RIDLRKRUKAXOHL-OFQRWUPVSA-N 0 3 315.417 2.358 20 30 DEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3scnc3COC)[C@@H]2C1 ZINC001076338972 781225459 /nfs/dbraw/zinc/22/54/59/781225459.db2.gz SLPIFSDQZNKTIL-GXTWGEPZSA-N 0 3 321.446 2.012 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)[C@@H]2C1 ZINC001076424738 781259406 /nfs/dbraw/zinc/25/94/06/781259406.db2.gz KWBRXMFNAXKQTP-RVKKMQEKSA-N 0 3 324.428 2.316 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC001076522326 781300156 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C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001077151582 781502748 /nfs/dbraw/zinc/50/27/48/781502748.db2.gz ZPAAGNOWOIHGBS-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CCCC)cc2)C1 ZINC001077341694 781551323 /nfs/dbraw/zinc/55/13/23/781551323.db2.gz CZJVZJABXDKEQK-QZTJIDSGSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2cccc(C(C)C)c2)[C@@H](O)C1 ZINC001083604118 781609773 /nfs/dbraw/zinc/60/97/73/781609773.db2.gz GPQXWUGKODHTOW-MSOLQXFVSA-N 0 3 316.445 2.090 20 30 DEEDHN CCn1ncc(NC(=N)c2ccc3cc(O)ccc3c2)cc1=O ZINC001171184959 790907909 /nfs/dbraw/zinc/90/79/09/790907909.db2.gz CSGPJUAQGDXEDF-UHFFFAOYSA-N 0 3 308.341 2.159 20 30 DEEDHN COC(=O)c1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001144438360 790912843 /nfs/dbraw/zinc/91/28/43/790912843.db2.gz DHOAMAIQLFTHOS-CQSZACIVSA-N 0 3 321.373 2.386 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001105946680 781886265 /nfs/dbraw/zinc/88/62/65/781886265.db2.gz 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ZINC001073880613 790937891 /nfs/dbraw/zinc/93/78/91/790937891.db2.gz OKVUEWUEIRZNMZ-MRXNPFEDSA-N 0 3 319.449 2.039 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000948361776 783438561 /nfs/dbraw/zinc/43/85/61/783438561.db2.gz NNBOQTUQDRKQJI-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001073890891 790942356 /nfs/dbraw/zinc/94/23/56/790942356.db2.gz JICZDVMYFXIGPH-INIZCTEOSA-N 0 3 319.449 2.466 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(F)cccc2OC)CC1 ZINC000948400385 783454471 /nfs/dbraw/zinc/45/44/71/783454471.db2.gz BTLZYXINMGPCKY-AWEZNQCLSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001073896159 790946334 /nfs/dbraw/zinc/94/63/34/790946334.db2.gz MDYBRCVAZPMADP-TVRKMHQQSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc3ncn(C)c32)CC1 ZINC000948561064 783502417 /nfs/dbraw/zinc/50/24/17/783502417.db2.gz ISLBUBFBIFZGPF-OAHLLOKOSA-N 0 3 324.428 2.133 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)CN(CC)CC)CC1 ZINC001066193468 783563596 /nfs/dbraw/zinc/56/35/96/783563596.db2.gz FHFUJMHAULTNCY-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2ccncc2C)C1 ZINC000966104128 783564344 /nfs/dbraw/zinc/56/43/44/783564344.db2.gz MFPDPTLVTDCNJK-YOEHRIQHSA-N 0 3 301.434 2.335 20 30 DEEDHN C#Cc1ccc(CN2CCC(NC(=O)c3cccnc3)CC2)cc1 ZINC001144580751 790954638 /nfs/dbraw/zinc/95/46/38/790954638.db2.gz HZHQHTSFRMNNKY-UHFFFAOYSA-N 0 3 319.408 2.457 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CC)nnc2C)C1 ZINC001091162543 790956658 /nfs/dbraw/zinc/95/66/58/790956658.db2.gz OOYHBJMIUPHZJV-UHFFFAOYSA-N 0 3 322.840 2.198 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(F)cncc2F)C1 ZINC000966385446 783649868 /nfs/dbraw/zinc/64/98/68/783649868.db2.gz JCFNKRLSXIBAND-RISCZKNCSA-N 0 3 309.360 2.376 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC000966392835 783651051 /nfs/dbraw/zinc/65/10/51/783651051.db2.gz XISLNYMKWNFZBB-DOTOQJQBSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722313 783741855 /nfs/dbraw/zinc/74/18/55/783741855.db2.gz LOLJEGOVFMBTJV-LRDDRELGSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001091172187 790974575 /nfs/dbraw/zinc/97/45/75/790974575.db2.gz YNIYXKTXHDCSGZ-UHFFFAOYSA-N 0 3 323.824 2.255 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC000967031309 783861836 /nfs/dbraw/zinc/86/18/36/783861836.db2.gz KOORVMLXSLCPFE-PBHICJAKSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2COC)C1 ZINC000967211775 783907866 /nfs/dbraw/zinc/90/78/66/783907866.db2.gz YHPNTIJKQJPMQO-QAPCUYQASA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967231624 783909924 /nfs/dbraw/zinc/90/99/24/783909924.db2.gz RFGVHMLVFMWDIC-GUYCJALGSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001085635745 783912279 /nfs/dbraw/zinc/91/22/79/783912279.db2.gz YPWBEESKLXPRCI-LLVKDONJSA-N 0 3 310.829 2.348 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C(F)(F)F ZINC001085642980 783921238 /nfs/dbraw/zinc/92/12/38/783921238.db2.gz BKLNNNZQGYAPIP-SNVBAGLBSA-N 0 3 316.327 2.151 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC000967339531 783957799 /nfs/dbraw/zinc/95/77/99/783957799.db2.gz SPBQWOJGRPGNBB-WMLDXEAASA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2cnccc2n1 ZINC001085843686 784129433 /nfs/dbraw/zinc/12/94/33/784129433.db2.gz SNSBDBUDMSXURJ-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1C ZINC001085890157 784180708 /nfs/dbraw/zinc/18/07/08/784180708.db2.gz QUGWQQIOJZPTIA-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967993461 784196840 /nfs/dbraw/zinc/19/68/40/784196840.db2.gz KBZVHAFOZUKLRU-RHSMWYFYSA-N 0 3 301.434 2.280 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001085918520 784212662 /nfs/dbraw/zinc/21/26/62/784212662.db2.gz FXFZCOKICAJKLU-ZDUSSCGKSA-N 0 3 304.438 2.430 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001074000052 791007444 /nfs/dbraw/zinc/00/74/44/791007444.db2.gz UPCRLWBGOFAKTD-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952485 784247936 /nfs/dbraw/zinc/24/79/36/784247936.db2.gz DJEVWZPEMOYZRO-CQSZACIVSA-N 0 3 300.406 2.076 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccncc2Cl)C1 ZINC000968331560 784295343 /nfs/dbraw/zinc/29/53/43/784295343.db2.gz PKYFLAMWWYXOTD-CJNGLKHVSA-N 0 3 319.836 2.127 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C=C3CCC3)C2)s1 ZINC000968376019 784336937 /nfs/dbraw/zinc/33/69/37/784336937.db2.gz IRLKBGNCPJVCAI-CYBMUJFWSA-N 0 3 301.415 2.421 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968382725 784344493 /nfs/dbraw/zinc/34/44/93/784344493.db2.gz UAWWTHZYKSPPGR-MAUKXSAKSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC000968463688 784402209 /nfs/dbraw/zinc/40/22/09/784402209.db2.gz DRZCCLPPZSRUFC-ZFWWWQNUSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccn(CC(C)C)n2)C1 ZINC001086098534 784407927 /nfs/dbraw/zinc/40/79/27/784407927.db2.gz KCXBNLDHKIOQIB-OKILXGFUSA-N 0 3 324.856 2.390 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001086100678 784408231 /nfs/dbraw/zinc/40/82/31/784408231.db2.gz KPIVZENFACLCDH-BETUJISGSA-N 0 3 322.840 2.070 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968602618 784494948 /nfs/dbraw/zinc/49/49/48/784494948.db2.gz RUXJBELKBYKBIV-PBHICJAKSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000968624722 784509523 /nfs/dbraw/zinc/50/95/23/784509523.db2.gz YOGJPQLGSDVEQG-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC000968630935 784511899 /nfs/dbraw/zinc/51/18/99/784511899.db2.gz DATMGGVFGNIZFE-HOCLYGCPSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC000968630934 784511957 /nfs/dbraw/zinc/51/19/57/784511957.db2.gz DATMGGVFGNIZFE-GOEBONIOSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)CC1 ZINC001066463196 784527789 /nfs/dbraw/zinc/52/77/89/784527789.db2.gz RIZJFMWIRNBXTO-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC001066465660 784530495 /nfs/dbraw/zinc/53/04/95/784530495.db2.gz RDIAPRGNHRTVIO-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ncccc2OCC)C1 ZINC000968713344 784552535 /nfs/dbraw/zinc/55/25/35/784552535.db2.gz NQNYMRQXUTUIAG-LSDHHAIUSA-N 0 3 317.433 2.497 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC000968837784 784614148 /nfs/dbraw/zinc/61/41/48/784614148.db2.gz QUKSYFPIQQRWEC-OAHLLOKOSA-N 0 3 302.422 2.336 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC000968936855 784659171 /nfs/dbraw/zinc/65/91/71/784659171.db2.gz SHZKVVOLJMFAOR-KRWDZBQOSA-N 0 3 324.428 2.332 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000968974555 784675630 /nfs/dbraw/zinc/67/56/30/784675630.db2.gz OURWSMMYHUIZKA-JHJVBQTASA-N 0 3 302.340 2.179 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC001086402691 784679905 /nfs/dbraw/zinc/67/99/05/784679905.db2.gz DFFJVBHWSORWCA-HOMQSWHASA-N 0 3 315.751 2.210 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1c[nH]c(=O)cc1C ZINC000969025813 784695059 /nfs/dbraw/zinc/69/50/59/784695059.db2.gz WBTGECPLVAGDLC-OAHLLOKOSA-N 0 3 315.417 2.093 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@@H]2CCCCCN2CC=C)nn1 ZINC000969061753 784710016 /nfs/dbraw/zinc/71/00/16/784710016.db2.gz DOACSCBAAONTME-HNNXBMFYSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC000969062962 784711821 /nfs/dbraw/zinc/71/18/21/784711821.db2.gz VSBSASJPLPRQKM-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001086480673 784768729 /nfs/dbraw/zinc/76/87/29/784768729.db2.gz SMQRKGSCZULXOS-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001091247109 791055672 /nfs/dbraw/zinc/05/56/72/791055672.db2.gz MVDIWASVAJWXCT-UHFFFAOYSA-N 0 3 310.829 2.384 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(CC3CC(F)(F)C3)C2)c1 ZINC001007031815 784836536 /nfs/dbraw/zinc/83/65/36/784836536.db2.gz XVHBEPRGGOWPFE-CYBMUJFWSA-N 0 3 322.359 2.126 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001007472512 784929158 /nfs/dbraw/zinc/92/91/58/784929158.db2.gz BDTVZLBWZMRYCL-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001007635890 784966816 /nfs/dbraw/zinc/96/68/16/784966816.db2.gz JWBDCOWJKUROTM-GJZGRUSLSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc3cccnn32)C1 ZINC001091272578 791070708 /nfs/dbraw/zinc/07/07/08/791070708.db2.gz SSYHAVYZWAYFPY-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001007831746 785020858 /nfs/dbraw/zinc/02/08/58/785020858.db2.gz KELZPIBEFCQTNV-KRWDZBQOSA-N 0 3 314.429 2.150 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001007917370 785046040 /nfs/dbraw/zinc/04/60/40/785046040.db2.gz DGTCTZLEEVPDRE-KRWDZBQOSA-N 0 3 321.424 2.381 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001156258745 785064395 /nfs/dbraw/zinc/06/43/95/785064395.db2.gz YOLPYNPRSMESLT-GDNZZTSVSA-N 0 3 301.228 2.037 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001008341202 785177153 /nfs/dbraw/zinc/17/71/53/785177153.db2.gz IJGHCAWGYUWTAW-HNNXBMFYSA-N 0 3 305.422 2.112 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001074165820 791093504 /nfs/dbraw/zinc/09/35/04/791093504.db2.gz WXXPOEWPCICBBA-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1ccc2ncc(N3CCCc4ccc(CN)nc43)nc2c1 ZINC001169584003 785264680 /nfs/dbraw/zinc/26/46/80/785264680.db2.gz KFIOQYXTMPZBAN-UHFFFAOYSA-N 0 3 316.368 2.439 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001009092070 785382049 /nfs/dbraw/zinc/38/20/49/785382049.db2.gz FKDATCPOGTUPGI-GFCCVEGCSA-N 0 3 301.415 2.447 20 30 DEEDHN C=CC[C@@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)C(=O)OC ZINC001169841292 785383254 /nfs/dbraw/zinc/38/32/54/785383254.db2.gz JCAULXDYGLAYNU-CLXYIWAZSA-N 0 3 300.362 2.309 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001009649127 785498887 /nfs/dbraw/zinc/49/88/87/785498887.db2.gz IXEVBHNSNVLQFK-ZDUSSCGKSA-N 0 3 321.446 2.007 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2csc(COC)n2)C1 ZINC001009705143 785509626 /nfs/dbraw/zinc/50/96/26/785509626.db2.gz YZXDZKGCEBMYKA-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ncccc2OCC)C1 ZINC001009790561 785539081 /nfs/dbraw/zinc/53/90/81/785539081.db2.gz WCPSYIKTABGHOV-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)C2=CCCC2)c1 ZINC001156527586 785640342 /nfs/dbraw/zinc/64/03/42/785640342.db2.gz DOEIYHMPYWMKEX-UHFFFAOYSA-N 0 3 301.365 2.404 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)C1CC1)C2 ZINC001109004987 785667104 /nfs/dbraw/zinc/66/71/04/785667104.db2.gz QAMRQHZGMPOFHF-LAFREGTGSA-N 0 3 304.434 2.267 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109072530 785692949 /nfs/dbraw/zinc/69/29/49/785692949.db2.gz HRWCVGIMGLNYQG-IKGGRYGDSA-N 0 3 300.402 2.111 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001109171115 785732439 /nfs/dbraw/zinc/73/24/39/785732439.db2.gz DVHDSSDCGXYNLI-NJAFHUGGSA-N 0 3 318.461 2.471 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1C=CC=CC=C1)C2 ZINC001109348428 785819333 /nfs/dbraw/zinc/81/93/33/785819333.db2.gz XCAZSLNEALIZNW-SQNIBIBYSA-N 0 3 314.429 2.209 20 30 DEEDHN CCc1ccccc1CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010644435 785882968 /nfs/dbraw/zinc/88/29/68/785882968.db2.gz PMDHRWSVGANDLZ-QGZVFWFLSA-N 0 3 322.412 2.453 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CCc4ccccc43)C2)[nH]1 ZINC001010655989 785888419 /nfs/dbraw/zinc/88/84/19/785888419.db2.gz KUXYTDDZVRYNON-YJBOKZPZSA-N 0 3 320.396 2.378 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109686192 785987447 /nfs/dbraw/zinc/98/74/47/785987447.db2.gz PYVBVHKGZPVWTF-CBBWQLFWSA-N 0 3 313.873 2.047 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncs1)C2 ZINC001109722968 785996682 /nfs/dbraw/zinc/99/66/82/785996682.db2.gz NMKDGPDWIVAQFY-SNPRPXQTSA-N 0 3 305.447 2.373 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)(F)F)CC1)C2 ZINC001109753097 786010465 /nfs/dbraw/zinc/01/04/65/786010465.db2.gz IWVAATHDZPAKFI-WOPDTQHZSA-N 0 3 300.324 2.074 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(F)(F)F)C2 ZINC001109754688 786012847 /nfs/dbraw/zinc/01/28/47/786012847.db2.gz MOYMEESILOYDRK-AGIUHOORSA-N 0 3 302.340 2.464 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCCOC1)C2 ZINC001109908074 786099108 /nfs/dbraw/zinc/09/91/08/786099108.db2.gz OBJOFSQCRMOIBH-NCOADZHNSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2cnn(C)c2C)CC1 ZINC001112894857 786280621 /nfs/dbraw/zinc/28/06/21/786280621.db2.gz PGAPNMZGTCXAEU-OAHLLOKOSA-N 0 3 318.465 2.160 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001086565482 786286627 /nfs/dbraw/zinc/28/66/27/786286627.db2.gz OJUAYGVYDHVNAT-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001086567554 786322284 /nfs/dbraw/zinc/32/22/84/786322284.db2.gz NEDPHFGUEJKMDO-IHRRRGAJSA-N 0 3 312.841 2.040 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001014400967 786571437 /nfs/dbraw/zinc/57/14/37/786571437.db2.gz RKPUWMVIAJMZIA-HNNXBMFYSA-N 0 3 312.417 2.111 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001014475074 786596373 /nfs/dbraw/zinc/59/63/73/786596373.db2.gz WSIGXDWQSAZRCG-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001014672343 786694384 /nfs/dbraw/zinc/69/43/84/786694384.db2.gz IELFFGVSUIRPQU-WMZOPIPTSA-N 0 3 313.445 2.422 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001014723760 786723655 /nfs/dbraw/zinc/72/36/55/786723655.db2.gz RITRFCRPBPMWCP-CQSZACIVSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001014748973 786734955 /nfs/dbraw/zinc/73/49/55/786734955.db2.gz GZAQHOJYTHSMPV-AWEZNQCLSA-N 0 3 313.376 2.145 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001014909368 786801947 /nfs/dbraw/zinc/80/19/47/786801947.db2.gz LVLDYAPZKLRDLY-ZDUSSCGKSA-N 0 3 307.825 2.353 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN([C@@H](C)COC)C2)cc1 ZINC001014983026 786839265 /nfs/dbraw/zinc/83/92/65/786839265.db2.gz ZZWXOILWLWGXPW-GOEBONIOSA-N 0 3 318.417 2.090 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015109552 786898439 /nfs/dbraw/zinc/89/84/39/786898439.db2.gz VTQOUHGPQAYACG-CQSZACIVSA-N 0 3 304.821 2.405 20 30 DEEDHN CC/C=C(/C)C(=O)NC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001113971280 787021333 /nfs/dbraw/zinc/02/13/33/787021333.db2.gz HANNWHJMKXAPAJ-GNVPRQCSSA-N 0 3 309.413 2.461 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(COC)c3)C[C@H]21 ZINC001114003545 787040797 /nfs/dbraw/zinc/04/07/97/787040797.db2.gz AOUDXEIELVCFTF-DZFIZOCASA-N 0 3 314.429 2.346 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001015486420 787080556 /nfs/dbraw/zinc/08/05/56/787080556.db2.gz HYBNLPXDQRTLPS-CYBMUJFWSA-N 0 3 312.369 2.173 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001015507666 787085580 /nfs/dbraw/zinc/08/55/80/787085580.db2.gz DJOFFBHQRSRCST-HZPDHXFCSA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3sc(C)nc3C)C[C@H]21 ZINC001114197101 787146693 /nfs/dbraw/zinc/14/66/93/787146693.db2.gz SMSKYRBLZMGLLK-HALDLXJZSA-N 0 3 317.458 2.110 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(OC)c3)C[C@H]21 ZINC001114198366 787157910 /nfs/dbraw/zinc/15/79/10/787157910.db2.gz AZUHBCOOZPHGPD-DZFIZOCASA-N 0 3 312.413 2.045 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1ccc(F)c(F)c1 ZINC001129502641 787218953 /nfs/dbraw/zinc/21/89/53/787218953.db2.gz KNXZXKSQEHVLGV-UHFFFAOYSA-N 0 3 319.355 2.472 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001095933977 787338821 /nfs/dbraw/zinc/33/88/21/787338821.db2.gz IHJXODBLJLOCET-PVAVHDDUSA-N 0 3 310.401 2.474 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)/C=C(/C)CC)C1 ZINC001130383228 787371272 /nfs/dbraw/zinc/37/12/72/787371272.db2.gz ANOWDQKPMHUUDR-RNQWEJQRSA-N 0 3 302.422 2.358 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(F)c(F)c1)C2 ZINC001095940128 787414361 /nfs/dbraw/zinc/41/43/61/787414361.db2.gz JNEYRRDATDZSRK-COXVUDFISA-N 0 3 318.367 2.252 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015490 787450157 /nfs/dbraw/zinc/45/01/57/787450157.db2.gz HYUNIYGOBHPSBR-LDDOYCOJSA-N 0 3 323.456 2.106 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)COC2CCCCC2)s1 ZINC001130685741 787456392 /nfs/dbraw/zinc/45/63/92/787456392.db2.gz IIXMOJKQBSQOHX-UHFFFAOYSA-N 0 3 321.446 2.175 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(F)c1)C2 ZINC001096055688 787479775 /nfs/dbraw/zinc/47/97/75/787479775.db2.gz GEZNCTSSXXBEJH-IKGGRYGDSA-N 0 3 300.377 2.493 20 30 DEEDHN CCOC(=O)C1=C(Nc2cccc(F)c2CC#N)CCNC1 ZINC001170520888 787496425 /nfs/dbraw/zinc/49/64/25/787496425.db2.gz NQTSPOZALYUUCG-UHFFFAOYSA-N 0 3 303.337 2.114 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001096102596 787504829 /nfs/dbraw/zinc/50/48/29/787504829.db2.gz AFTLIMZVARTNDE-LTIDMASMSA-N 0 3 305.466 2.157 20 30 DEEDHN COCc1cccc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001130944740 787509241 /nfs/dbraw/zinc/50/92/41/787509241.db2.gz ZSZFWZVHGPXANE-UHFFFAOYSA-N 0 3 323.396 2.224 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001086666270 787602560 /nfs/dbraw/zinc/60/25/60/787602560.db2.gz FWJOZAKWBXPKPA-NWDGAFQWSA-N 0 3 309.797 2.028 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)s2)nc1C ZINC001131389209 787610550 /nfs/dbraw/zinc/61/05/50/787610550.db2.gz VTSNIHWKSCEBOB-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCSC)C[C@H](C)O2 ZINC001131624307 787665908 /nfs/dbraw/zinc/66/59/08/787665908.db2.gz IMCCIEGZRATNOU-GOEBONIOSA-N 0 3 312.479 2.007 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)/C=C(/C)CC)C[C@@H](C)O2 ZINC001131657669 787679069 /nfs/dbraw/zinc/67/90/69/787679069.db2.gz MCMZQVBMAKZCJH-SJJHAODRSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC=C(C)C)C2)C1 ZINC001131657258 787679346 /nfs/dbraw/zinc/67/93/46/787679346.db2.gz HLWXYAFLJULKKK-MJGOQNOKSA-N 0 3 318.461 2.448 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@H](C)O2 ZINC001131657573 787679359 /nfs/dbraw/zinc/67/93/59/787679359.db2.gz KMBSTXFHYWHXDG-LPHOPBHVSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C\c2ccco2)CC[C@@H]1C ZINC001131788699 787734368 /nfs/dbraw/zinc/73/43/68/787734368.db2.gz WWNXKMKCTUTGOL-LWULTOEVSA-N 0 3 318.417 2.465 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001131946733 787831759 /nfs/dbraw/zinc/83/17/59/787831759.db2.gz MHXPVOGPAZAHKO-DOTOQJQBSA-N 0 3 302.418 2.358 20 30 DEEDHN CC(C)N(C)CC(=O)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001096940773 787912310 /nfs/dbraw/zinc/91/23/10/787912310.db2.gz XJEDRSMXCRKJBG-ZDUSSCGKSA-N 0 3 318.396 2.050 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CCc2cnn(C)c2)C1 ZINC001132072835 787917020 /nfs/dbraw/zinc/91/70/20/787917020.db2.gz PRCMZGOLIQYMPW-RDJZCZTQSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccccc2)CC[C@@H]1C ZINC001132134952 787941156 /nfs/dbraw/zinc/94/11/56/787941156.db2.gz APCZCZORHWDMFO-WMZOPIPTSA-N 0 3 316.445 2.401 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132215556 787967265 /nfs/dbraw/zinc/96/72/65/787967265.db2.gz ZQWIDIYPTGUZBR-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132201156 787972774 /nfs/dbraw/zinc/97/27/74/787972774.db2.gz XHVBQCCTFZBQMM-CABCVRRESA-N 0 3 312.429 2.298 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(C)nc2C)cc1 ZINC001132215990 787976643 /nfs/dbraw/zinc/97/66/43/787976643.db2.gz VCFNHIUFCKRFHN-UHFFFAOYSA-N 0 3 307.397 2.199 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccn(C)c2C)CC[C@@H]1C ZINC001132268931 787998034 /nfs/dbraw/zinc/99/80/34/787998034.db2.gz DGOGKPUBORJLOV-HOCLYGCPSA-N 0 3 319.449 2.119 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCOC2CCOCC2)CC[C@H]1C ZINC001132417095 788067238 /nfs/dbraw/zinc/06/72/38/788067238.db2.gz RNHIRQGFGMJNGL-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CC=C)CCOCC2)CC[C@@H]1C ZINC001132454636 788076304 /nfs/dbraw/zinc/07/63/04/788076304.db2.gz ZCPDXMNYUGAKDM-IRXDYDNUSA-N 0 3 318.461 2.352 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CCOC)CCC2)CC[C@H]1C ZINC001132447924 788082268 /nfs/dbraw/zinc/08/22/68/788082268.db2.gz CPVJXKQVZGCOOD-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2cccc(C)c2)CC[C@H]1C ZINC001132487341 788091861 /nfs/dbraw/zinc/09/18/61/788091861.db2.gz UMDKNCXLJCNAIO-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCOc2cccnc2)CC[C@@H]1C ZINC001132496577 788105459 /nfs/dbraw/zinc/10/54/59/788105459.db2.gz KLBQWPDOOAVIAZ-HOTGVXAUSA-N 0 3 317.433 2.396 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(OC)c1)C2 ZINC001097477297 788112759 /nfs/dbraw/zinc/11/27/59/788112759.db2.gz MRMSIRSAVAIUMI-ZACQAIPSSA-N 0 3 312.413 2.362 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1cc(C)ccc1OC ZINC001132602242 788139244 /nfs/dbraw/zinc/13/92/44/788139244.db2.gz XSIDTUVPPIXULT-UHFFFAOYSA-N 0 3 302.418 2.403 20 30 DEEDHN C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132658858 788153866 /nfs/dbraw/zinc/15/38/66/788153866.db2.gz LYZYTKUFEGAOIW-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)cc1 ZINC001097630370 788154173 /nfs/dbraw/zinc/15/41/73/788154173.db2.gz HZVQEOUZXDSRAL-PILAGYSTSA-N 0 3 312.413 2.038 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001132667564 788160190 /nfs/dbraw/zinc/16/01/90/788160190.db2.gz NZYOLRJUYBWWAF-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC001132667909 788160715 /nfs/dbraw/zinc/16/07/15/788160715.db2.gz WGQRPRLKALLFGD-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@@H]2C)o1 ZINC001132809242 788204738 /nfs/dbraw/zinc/20/47/38/788204738.db2.gz NFARNICLOUYEDW-GOEBONIOSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCCC(=O)NCCNC[C@@H](O)c1ccc(F)cc1F ZINC001133158001 788299154 /nfs/dbraw/zinc/29/91/54/788299154.db2.gz WDZNVMNMZNTXKK-OAHLLOKOSA-N 0 3 312.360 2.060 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CC(NCc2ccccc2Cl)C1 ZINC001100191358 788309980 /nfs/dbraw/zinc/30/99/80/788309980.db2.gz HZSYBDHPJAMNEY-LKSINWNRSA-N 0 3 305.809 2.484 20 30 DEEDHN C=C1CCC(C(=O)NCCNCc2ccnc(OC)c2)CC1 ZINC001133368825 788387719 /nfs/dbraw/zinc/38/77/19/788387719.db2.gz INYXNKZIUOEFMN-UHFFFAOYSA-N 0 3 303.406 2.042 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001133383088 788393591 /nfs/dbraw/zinc/39/35/91/788393591.db2.gz HAXHMPRMWFVMPS-QAPCUYQASA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCO1 ZINC001133382706 788394683 /nfs/dbraw/zinc/39/46/83/788394683.db2.gz WIVZVPMITVCLCZ-INIZCTEOSA-N 0 3 320.820 2.070 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)c1ccco1 ZINC001133727592 788581189 /nfs/dbraw/zinc/58/11/89/788581189.db2.gz ISFQZUGOJOMDPU-LBPRGKRZSA-N 0 3 315.348 2.300 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)CSCC#N)NC/C(Cl)=C\Cl ZINC001133735344 788586731 /nfs/dbraw/zinc/58/67/31/788586731.db2.gz CPNHIHFSCFLREG-ZDQCJSPPSA-N 0 3 324.277 2.435 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C(C)C)n1 ZINC001133912779 788666376 /nfs/dbraw/zinc/66/63/76/788666376.db2.gz GXXKPCZQCJPJIH-LSDHHAIUSA-N 0 3 322.453 2.040 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001133908947 788668161 /nfs/dbraw/zinc/66/81/61/788668161.db2.gz FCTVJLPEXYXKQH-NWDGAFQWSA-N 0 3 311.451 2.027 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@@H](C)NCc1conc1C ZINC001134014038 788720837 /nfs/dbraw/zinc/72/08/37/788720837.db2.gz MQVUCSLJVCXHAU-ZIAGYGMSSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC001134204994 788799075 /nfs/dbraw/zinc/79/90/75/788799075.db2.gz GMOJWYJEPZNWBW-OLZOCXBDSA-N 0 3 305.422 2.468 20 30 DEEDHN COc1nscc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134319283 788864274 /nfs/dbraw/zinc/86/42/74/788864274.db2.gz YRZYWHIKONPPRL-STQMWFEESA-N 0 3 323.462 2.184 20 30 DEEDHN CC(C)n1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001134322055 788869253 /nfs/dbraw/zinc/86/92/53/788869253.db2.gz OKMAWZRFJFBBJR-LSDHHAIUSA-N 0 3 316.449 2.250 20 30 DEEDHN 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C=CCN1C[C@H](NC(=O)Cc2cccc(OC)c2)CC[C@H]1C ZINC001072044460 790029412 /nfs/dbraw/zinc/02/94/12/790029412.db2.gz MHOOHOKPVLMUTQ-GDBMZVCRSA-N 0 3 302.418 2.393 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)CC[C@@H]1C ZINC001072064538 790038107 /nfs/dbraw/zinc/03/81/07/790038107.db2.gz ZXPDFJAAVNOFJU-BBRMVZONSA-N 0 3 301.434 2.248 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)noc2C)CC[C@H]1C ZINC001072066936 790039400 /nfs/dbraw/zinc/03/94/00/790039400.db2.gz PISZIUPWGURWEO-DOMZBBRYSA-N 0 3 305.422 2.379 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2c(C)n[nH]c2C)CC[C@H]1C ZINC001072071032 790040148 /nfs/dbraw/zinc/04/01/48/790040148.db2.gz VQVPSJDUUITYTM-IUODEOHRSA-N 0 3 304.438 2.114 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)nc2)CC[C@H]1C ZINC001072084800 790045624 /nfs/dbraw/zinc/04/56/24/790045624.db2.gz IVOAHKQXQUXJEP-NVXWUHKLSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC[C@H]1C ZINC001072109209 790056080 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CC[C@@H]1C[C@@H](C(=O)NCCNCc2ccc(C#N)s2)CCO1 ZINC001146966479 791420705 /nfs/dbraw/zinc/42/07/05/791420705.db2.gz BBVSODKGOIGNMW-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3c(cccc3C)O1)C2 ZINC001098226412 791594372 /nfs/dbraw/zinc/59/43/72/791594372.db2.gz HGAWQVJVTXTDJR-NWGLXNPWSA-N 0 3 324.424 2.043 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccsc3C)C[C@]2(C)C1 ZINC001091655292 791616317 /nfs/dbraw/zinc/61/63/17/791616317.db2.gz IBZHZTRWQJPWOT-PBHICJAKSA-N 0 3 302.443 2.474 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCOc3cccc(C)c3)C2)C1 ZINC001148743307 791795191 /nfs/dbraw/zinc/79/51/91/791795191.db2.gz QULGIEOYBAHAPC-UHFFFAOYSA-N 0 3 314.429 2.484 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C3=COCCC3)C2)CC1 ZINC001086908911 791846050 /nfs/dbraw/zinc/84/60/50/791846050.db2.gz KRFGSDMNJYBODB-INIZCTEOSA-N 0 3 316.445 2.407 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001086912868 791848362 /nfs/dbraw/zinc/84/83/62/791848362.db2.gz 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ZINC001086947829 791858877 /nfs/dbraw/zinc/85/88/77/791858877.db2.gz IHPLHAXACKLQJS-HYVNUMGLSA-N 0 3 300.446 2.369 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCCOC3)C2)CC1 ZINC001086957209 791864210 /nfs/dbraw/zinc/86/42/10/791864210.db2.gz HQHHBOCIEZMXOC-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3cc(C)cc(C)c3)C[C@]2(C)C1 ZINC001091975039 791915898 /nfs/dbraw/zinc/91/58/98/791915898.db2.gz CWQGPQJCHFRCRT-QUCCMNQESA-N 0 3 310.441 2.259 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C(C)C)cn3)C[C@]2(C)C1 ZINC001092011463 791923259 /nfs/dbraw/zinc/92/32/59/791923259.db2.gz WOJYULHIHMFRQS-APWZRJJASA-N 0 3 311.429 2.232 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3ccsc3C)C[C@]2(C)C1 ZINC001092073986 791929056 /nfs/dbraw/zinc/92/90/56/791929056.db2.gz FZYYIBPBDRLADB-AEFFLSMTSA-N 0 3 316.470 2.403 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)c3cc(C)oc3C)C[C@]2(C)C1 ZINC001092103169 791931718 /nfs/dbraw/zinc/93/17/18/791931718.db2.gz HLJDIKILUMDLBX-OGWOLHLISA-N 0 3 314.429 2.413 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001098858126 791965190 /nfs/dbraw/zinc/96/51/90/791965190.db2.gz VMSUTBYURWHETK-LRDDRELGSA-N 0 3 324.375 2.357 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cnc(CC)s3)C[C@]2(C)C1 ZINC001092313453 791976292 /nfs/dbraw/zinc/97/62/92/791976292.db2.gz FBDQXNRBPGMLMN-DYVFJYSZSA-N 0 3 317.458 2.123 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001099002355 792028805 /nfs/dbraw/zinc/02/88/05/792028805.db2.gz XENGNKDUOCYYSF-QKLQHJQFSA-N 0 3 323.440 2.105 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c(C)noc2C(C)C)[C@H](C)C1 ZINC001092696559 792113692 /nfs/dbraw/zinc/11/36/92/792113692.db2.gz YGJKMNMGHKQQLL-TZMCWYRMSA-N 0 3 303.406 2.037 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1C(F)(F)F ZINC001099216285 792142209 /nfs/dbraw/zinc/14/22/09/792142209.db2.gz DYZBCWVIKOTJJW-JHJVBQTASA-N 0 3 320.355 2.111 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@@H](C)C(C)C)CC2(CCOCC2)C1 ZINC001099593374 792257018 /nfs/dbraw/zinc/25/70/18/792257018.db2.gz WTVQNKCWIOTLBW-HOTGVXAUSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099849853 792381229 /nfs/dbraw/zinc/38/12/29/792381229.db2.gz KBBCDBJRBHUACS-IAGOWNOFSA-N 0 3 316.445 2.340 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099849854 792381289 /nfs/dbraw/zinc/38/12/89/792381289.db2.gz KBBCDBJRBHUACS-IRXDYDNUSA-N 0 3 316.445 2.340 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2cccs2)[C@H](O)C1 ZINC001100104128 792475113 /nfs/dbraw/zinc/47/51/13/792475113.db2.gz WXGIXPYRBQFJEW-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)CCCC1 ZINC001100144783 792485370 /nfs/dbraw/zinc/48/53/70/792485370.db2.gz CPOYIHSMQIMNEE-HUUCEWRRSA-N 0 3 312.429 2.034 20 30 DEEDHN Cc1nsc(C)c1CNC1CC(CNC(=O)C#CC(C)C)C1 ZINC001100309262 792582718 /nfs/dbraw/zinc/58/27/18/792582718.db2.gz NCEWXUPEGJQCLR-UHFFFAOYSA-N 0 3 319.474 2.404 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](CNCc2ccccc2C#N)[C@H](C)C1 ZINC001093967509 792664641 /nfs/dbraw/zinc/66/46/41/792664641.db2.gz PGEWJVGRTGXOTN-DTTOXWODSA-N 0 3 311.429 2.398 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCc2cccnc2)C1 ZINC001100484910 792680501 /nfs/dbraw/zinc/68/05/01/792680501.db2.gz AVRQSZDYGJMBBD-UHFFFAOYSA-N 0 3 307.825 2.251 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cccnc2C)C1 ZINC001100674341 792781704 /nfs/dbraw/zinc/78/17/04/792781704.db2.gz RWLDXKORTQLIFI-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100711422 792805731 /nfs/dbraw/zinc/80/57/31/792805731.db2.gz OPMNLZGPLKFJSV-UHFFFAOYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001171446035 792926902 /nfs/dbraw/zinc/92/69/02/792926902.db2.gz WDNSYNBFIUBAEU-ZIAGYGMSSA-N 0 3 320.437 2.415 20 30 DEEDHN C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001171446112 792927610 /nfs/dbraw/zinc/92/76/10/792927610.db2.gz XCXNSOPOSZKROI-ZDUSSCGKSA-N 0 3 306.410 2.027 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ocnc3C3CC3)CCC[C@@H]12 ZINC001094511592 792957786 /nfs/dbraw/zinc/95/77/86/792957786.db2.gz VSRQYXGVGJQXMG-RDTXWAMCSA-N 0 3 313.401 2.160 20 30 DEEDHN C=CCCOCC(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001101055635 792992082 /nfs/dbraw/zinc/99/20/82/792992082.db2.gz KRDGXZLNEBYKMA-UHFFFAOYSA-N 0 3 321.248 2.383 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)/C(C)=C\C)c2)C1 ZINC001101092094 793013181 /nfs/dbraw/zinc/01/31/81/793013181.db2.gz LYXHWBSLIKGBSZ-UOJXKXAVSA-N 0 3 315.417 2.303 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@](C)(OC)c1ccccc1 ZINC001171480282 793109152 /nfs/dbraw/zinc/10/91/52/793109152.db2.gz PESOJLKYGXKBSI-INIZCTEOSA-N 0 3 310.825 2.397 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(C#N)c2)CC1=O ZINC001171680260 793169868 /nfs/dbraw/zinc/16/98/68/793169868.db2.gz SWMBHTPREURWCB-CQSZACIVSA-N 0 3 315.373 2.184 20 30 DEEDHN C#Cc1cccc(CN[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c1 ZINC001171691590 793190754 /nfs/dbraw/zinc/19/07/54/793190754.db2.gz SOKNQJSYOBPUBN-OAHLLOKOSA-N 0 3 314.385 2.294 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(NC(C)=O)cc1 ZINC001171869456 793237303 /nfs/dbraw/zinc/23/73/03/793237303.db2.gz IXQVYGHEHHHVHE-UHFFFAOYSA-N 0 3 309.797 2.107 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@@H](NC(=O)C(F)F)c1nccn12 ZINC001101599815 793263122 /nfs/dbraw/zinc/26/31/22/793263122.db2.gz XHHUJTUFFXQIDM-NWDGAFQWSA-N 0 3 324.375 2.075 20 30 DEEDHN C=CCC[C@@H](C)N1CC2(C1)C[C@H](NC(=O)C(C)C)c1nccn12 ZINC001101607153 793267547 /nfs/dbraw/zinc/26/75/47/793267547.db2.gz HXOXDEVUNMLHPO-CABCVRRESA-N 0 3 316.449 2.466 20 30 DEEDHN CCC[C@H](C)CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001101801389 793383214 /nfs/dbraw/zinc/38/32/14/793383214.db2.gz CFXFKPXHQXRGJG-GVDBMIGSSA-N 0 3 308.466 2.147 20 30 DEEDHN COC(=O)N1CCCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172315998 793395857 /nfs/dbraw/zinc/39/58/57/793395857.db2.gz QPYVDJHPGDDRCU-AWEZNQCLSA-N 0 3 301.390 2.263 20 30 DEEDHN C[C@H](CCCC#N)n1nc(C(=O)N2CCCC2)c2c1CCNC2 ZINC001172496759 793437930 /nfs/dbraw/zinc/43/79/30/793437930.db2.gz QFBTZHJKZWEMOF-CYBMUJFWSA-N 0 3 315.421 2.020 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cccnc2)C[C@H]1C#N ZINC001172967934 793546459 /nfs/dbraw/zinc/54/64/59/793546459.db2.gz MXUMVWAADRQFGQ-GJZGRUSLSA-N 0 3 316.405 2.463 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC[C@@H]2CO)C[C@H]1C#N ZINC001172977613 793548728 /nfs/dbraw/zinc/54/87/28/793548728.db2.gz DJGVBCHBBLOIQL-KFWWJZLASA-N 0 3 323.437 2.125 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102262782 793549811 /nfs/dbraw/zinc/54/98/11/793549811.db2.gz LKGHNKBGAIUCPN-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN Cc1nocc1CNC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173420843 793715026 /nfs/dbraw/zinc/71/50/26/793715026.db2.gz GWYSMYDRHSTEKV-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cn2cc(C)cn2)C1 ZINC001102726024 793726874 /nfs/dbraw/zinc/72/68/74/793726874.db2.gz NJFLQNIUGOXLIG-UKRRQHHQSA-N 0 3 324.856 2.018 20 30 DEEDHN CC(C)(C)OC(=O)[C@H](N)C1CN(C2CCC(C)(C#N)CC2)C1 ZINC001173593466 793774867 /nfs/dbraw/zinc/77/48/67/793774867.db2.gz PHTMXVQQHIKLTR-XOYHFGRZSA-N 0 3 307.438 2.060 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C)nn2)C1 ZINC001102966507 793843060 /nfs/dbraw/zinc/84/30/60/793843060.db2.gz BXORBMNHVAMNKR-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103274719 794015320 /nfs/dbraw/zinc/01/53/20/794015320.db2.gz RGOGJTSGWXYYSC-INMHGKMJSA-N 0 3 314.445 2.259 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCn2ccnc2)C1 ZINC001103290501 794021927 /nfs/dbraw/zinc/02/19/27/794021927.db2.gz SQCNUPVRGSBMPO-UKRRQHHQSA-N 0 3 324.856 2.100 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1cccc(F)c1 ZINC001175949408 794328477 /nfs/dbraw/zinc/32/84/77/794328477.db2.gz CTZMSIFCMQJZGJ-UHFFFAOYSA-N 0 3 300.761 2.053 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C ZINC001103971354 794332958 /nfs/dbraw/zinc/33/29/58/794332958.db2.gz BMRPZWGBICEQKD-MRVWCRGKSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C ZINC001103982579 794336832 /nfs/dbraw/zinc/33/68/32/794336832.db2.gz NDENJVKHYHCDJN-BPLDGKMQSA-N 0 3 314.857 2.240 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(C#N)c1)C2 ZINC001111660599 794451580 /nfs/dbraw/zinc/45/15/80/794451580.db2.gz PCSZPPUOHYJWGJ-FNHZYXHNSA-N 0 3 322.412 2.189 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(C#N)c1)C2 ZINC001111660600 794451883 /nfs/dbraw/zinc/45/18/83/794451883.db2.gz PCSZPPUOHYJWGJ-LJHODMEESA-N 0 3 322.412 2.189 20 30 DEEDHN Cc1ccc(C(=O)NCCCNCc2ccccc2C#N)c(C)n1 ZINC001176817498 794504944 /nfs/dbraw/zinc/50/49/44/794504944.db2.gz GUOXCABNPWAJJX-UHFFFAOYSA-N 0 3 322.412 2.480 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1C(F)(F)F ZINC001112077845 794556260 /nfs/dbraw/zinc/55/62/60/794556260.db2.gz JXVZMSZJOROGEQ-PUZDAVHHSA-N 0 3 320.355 2.134 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COC1CCC(C)CC1 ZINC001177370014 794646319 /nfs/dbraw/zinc/64/63/19/794646319.db2.gz VNOCCVVXOARUGH-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN Cc1c(CNCCNc2ncccc2C#N)cccc1[N+](=O)[O-] ZINC001177507132 794684798 /nfs/dbraw/zinc/68/47/98/794684798.db2.gz XPVARBPAVJXTBZ-UHFFFAOYSA-N 0 3 311.345 2.372 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOc1ccc(C)cc1 ZINC001115206098 794703841 /nfs/dbraw/zinc/70/38/41/794703841.db2.gz ZGHXGVDCDAXYJK-DZFIZOCASA-N 0 3 314.429 2.386 20 30 DEEDHN CN(CCN(C)C(=O)C#Cc1cccnc1)Cc1ccccc1 ZINC001177776436 794737070 /nfs/dbraw/zinc/73/70/70/794737070.db2.gz CDDFEXHMZKOCTH-UHFFFAOYSA-N 0 3 307.397 2.024 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2cnoc2C)CCCCC1 ZINC001115447740 794776403 /nfs/dbraw/zinc/77/64/03/794776403.db2.gz AIUCCJCFVKKPGH-UHFFFAOYSA-N 0 3 321.421 2.094 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2n[nH]cc2C)CCCCC1 ZINC001115527265 794810330 /nfs/dbraw/zinc/81/03/30/794810330.db2.gz JROMLQWZVADQIZ-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCn2ccnc2)CCCCC1 ZINC001115655623 794863016 /nfs/dbraw/zinc/86/30/16/794863016.db2.gz AUZNNJOTKYEPTE-UHFFFAOYSA-N 0 3 324.856 2.434 20 30 DEEDHN C=CCC[NH2+]C1(CNC(=O)c2c(C)nc[n-]c2=O)CCCCC1 ZINC001115686196 794878233 /nfs/dbraw/zinc/87/82/33/794878233.db2.gz CQBHOHAWUHYIKQ-UHFFFAOYSA-N 0 3 318.421 2.089 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(CC)CC)[C@@H]1C ZINC001178316068 794898353 /nfs/dbraw/zinc/89/83/53/794898353.db2.gz ULOUVFIDHBUTPF-YCPHGPKFSA-N 0 3 323.481 2.225 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(OC)nc2)[C@@H]1C ZINC001178320059 794899556 /nfs/dbraw/zinc/89/95/56/794899556.db2.gz CVSIBPUUYUKHPW-ZFWWWQNUSA-N 0 3 303.406 2.135 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)c2n[nH]c(C)n2)[C@@H]1C ZINC001178805804 795000657 /nfs/dbraw/zinc/00/06/57/795000657.db2.gz MODOWHYICQIVIS-DYEKYZERSA-N 0 3 305.426 2.109 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179340277 795102280 /nfs/dbraw/zinc/10/22/80/795102280.db2.gz XQXXGJFSDIFXOK-OAHLLOKOSA-N 0 3 321.469 2.184 20 30 DEEDHN C=CC[C@@H](CC)NCc1c(I)cnn1C ZINC001119669658 795336578 /nfs/dbraw/zinc/33/65/78/795336578.db2.gz SXGWAOXJCFLAMA-SECBINFHSA-N 0 3 319.190 2.469 20 30 DEEDHN C#CCN(Cc1ccc(OCC(=O)NCC)c(OC)c1)C(C)C ZINC001120070244 795401613 /nfs/dbraw/zinc/40/16/13/795401613.db2.gz GKMKGRRJGYMKER-UHFFFAOYSA-N 0 3 318.417 2.054 20 30 DEEDHN C=CCn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C(C)(F)F ZINC001121634022 795665175 /nfs/dbraw/zinc/66/51/75/795665175.db2.gz OOCWVBZARBYBBD-VXGBXAGGSA-N 0 3 313.396 2.495 20 30 DEEDHN CCCCCCN(C)CC(=O)NC1CC2(CC(NCC#N)C2)C1 ZINC001121915522 795703868 /nfs/dbraw/zinc/70/38/68/795703868.db2.gz JPYAQKUAKICRCT-UHFFFAOYSA-N 0 3 320.481 2.039 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC001122003865 795715128 /nfs/dbraw/zinc/71/51/28/795715128.db2.gz HRZQNOXLQUCETE-NVXWUHKLSA-N 0 3 301.434 2.455 20 30 DEEDHN CCC[C@@H](C)CCCC(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001182866980 795769393 /nfs/dbraw/zinc/76/93/93/795769393.db2.gz DURZFOWETOJFEK-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001182868418 795770529 /nfs/dbraw/zinc/77/05/29/795770529.db2.gz ZESHCVVGNPVJIZ-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccoc2C(F)(F)F)C1 ZINC001182873726 795771892 /nfs/dbraw/zinc/77/18/92/795771892.db2.gz KICQRXDXUJYQDJ-SNVBAGLBSA-N 0 3 300.280 2.126 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001122537027 795773963 /nfs/dbraw/zinc/77/39/63/795773963.db2.gz FJDXXBLNNAAYOR-RBSFLKMASA-N 0 3 321.469 2.217 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001182898241 795777505 /nfs/dbraw/zinc/77/75/05/795777505.db2.gz SLCURSMNWKXLHP-OAHLLOKOSA-N 0 3 304.438 2.021 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1ncc(C(F)(F)F)cn1 ZINC001183027942 795792768 /nfs/dbraw/zinc/79/27/68/795792768.db2.gz XLKRIDUOGJSIGM-UHFFFAOYSA-N 0 3 300.284 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001183054775 795799915 /nfs/dbraw/zinc/79/99/15/795799915.db2.gz GFBNIIAKRAXAAJ-MRXNPFEDSA-N 0 3 300.377 2.071 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCSCC)C2 ZINC001110332084 795857271 /nfs/dbraw/zinc/85/72/71/795857271.db2.gz DTNXTTURENFZEB-KFWWJZLASA-N 0 3 312.479 2.054 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCCNC(=O)OC(C)(C)C ZINC001123233831 795877558 /nfs/dbraw/zinc/87/75/58/795877558.db2.gz OLHDMAFWAIYDQU-LBPRGKRZSA-N 0 3 320.393 2.384 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2cccc(C)c2Cl)C1 ZINC001184211206 796012313 /nfs/dbraw/zinc/01/23/13/796012313.db2.gz KXTBWPSBSSJQFE-OAHLLOKOSA-N 0 3 304.821 2.405 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001184292510 796038387 /nfs/dbraw/zinc/03/83/87/796038387.db2.gz OQCCFHCHXKUBDJ-QWHCGFSZSA-N 0 3 306.356 2.282 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](NCc2cccnc2)C1 ZINC001184638329 796097844 /nfs/dbraw/zinc/09/78/44/796097844.db2.gz RHZIVYZXXOEJHG-SJLPKXTDSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2nccn2C)[C@@H](C)C1 ZINC001185063478 796172451 /nfs/dbraw/zinc/17/24/51/796172451.db2.gz ZWFGHTAXULGFPQ-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(CCO3)CC2)cc1OC ZINC001138348906 796203380 /nfs/dbraw/zinc/20/33/80/796203380.db2.gz PHLZTQBDXIBSGV-UHFFFAOYSA-N 0 3 301.386 2.462 20 30 DEEDHN C#CCOc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1OC ZINC001138348203 796203432 /nfs/dbraw/zinc/20/34/32/796203432.db2.gz HQZSGDHPMVSKPO-GASCZTMLSA-N 0 3 302.418 2.232 20 30 DEEDHN C=CCN(C)Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC001138535578 796230576 /nfs/dbraw/zinc/23/05/76/796230576.db2.gz MYUJJBGHHCZSIX-UHFFFAOYSA-N 0 3 320.433 2.024 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(CCCC(=O)N3)CC2)cc1 ZINC001138558007 796235001 /nfs/dbraw/zinc/23/50/01/796235001.db2.gz KWFJRBKVATZDRO-UHFFFAOYSA-N 0 3 312.413 2.333 20 30 DEEDHN O=C(NCc1ccc(F)cc1)N1CCC2SC(=O)C=C2C1 ZINC001185451328 796262140 /nfs/dbraw/zinc/26/21/40/796262140.db2.gz VSSQLTUBJXEXBA-CYBMUJFWSA-N 0 3 306.362 2.309 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H](NCc2cncs2)C12CCC2 ZINC001202878587 796302997 /nfs/dbraw/zinc/30/29/97/796302997.db2.gz UNKLLPWBMRGDHY-LSDHHAIUSA-N 0 3 317.458 2.320 20 30 DEEDHN Cc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cc1C#N ZINC001139725608 796416926 /nfs/dbraw/zinc/41/69/26/796416926.db2.gz VTZAIFYCAGVCHQ-HDICACEKSA-N 0 3 319.412 2.225 20 30 DEEDHN C=CCn1cc(CN2CC[C@H](CC(=O)OCC)[C@H](C)C2)cn1 ZINC001139774489 796425337 /nfs/dbraw/zinc/42/53/37/796425337.db2.gz HWEWRMQLHLBKCU-GDBMZVCRSA-N 0 3 305.422 2.480 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)c(CC)[nH]c1=O ZINC001139873839 796438988 /nfs/dbraw/zinc/43/89/88/796438988.db2.gz GLRDAERSOFGTKF-UHFFFAOYSA-N 0 3 305.422 2.238 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn(C)nc1-c1ccoc1 ZINC001139869296 796439289 /nfs/dbraw/zinc/43/92/89/796439289.db2.gz DRRBJOKPAXYPGC-UHFFFAOYSA-N 0 3 316.405 2.260 20 30 DEEDHN C=CCN(C)CCN(CC)c1ccc2nnc(C(F)F)n2n1 ZINC001186853211 796447395 /nfs/dbraw/zinc/44/73/95/796447395.db2.gz AEKLBOKORZARPE-UHFFFAOYSA-N 0 3 310.352 2.006 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccncc1[O-])C2 ZINC001140273240 796497411 /nfs/dbraw/zinc/49/74/11/796497411.db2.gz IBJZWDJRQBIXTP-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccncc1[O-])C2 ZINC001140273240 796497412 /nfs/dbraw/zinc/49/74/12/796497412.db2.gz IBJZWDJRQBIXTP-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC001187357843 796530555 /nfs/dbraw/zinc/53/05/55/796530555.db2.gz HNKQCJKKJUFHLU-LJQANCHMSA-N 0 3 322.408 2.294 20 30 DEEDHN COC[C@@H]1COCCC12CCN(Cc1ccc(C#N)nc1)CC2 ZINC001140543733 796537488 /nfs/dbraw/zinc/53/74/88/796537488.db2.gz SMFVJAKXUKNDRO-MRXNPFEDSA-N 0 3 315.417 2.218 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC001187609201 796556177 /nfs/dbraw/zinc/55/61/77/796556177.db2.gz YYRDWYNCPGTOEM-CQSZACIVSA-N 0 3 302.443 2.454 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001188016267 796617549 /nfs/dbraw/zinc/61/75/49/796617549.db2.gz WEBHBKKZVHAKBB-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001188301320 796660429 /nfs/dbraw/zinc/66/04/29/796660429.db2.gz AZAWUPQXLPTDNE-GDBMZVCRSA-N 0 3 320.408 2.416 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](OC(C)C)c2ccccc2)C1 ZINC001188610329 796688692 /nfs/dbraw/zinc/68/86/92/796688692.db2.gz OJMPVVQVVSCBFK-QZTJIDSGSA-N 0 3 314.429 2.367 20 30 DEEDHN CN(C[C@@H]1CC(C)(C)CO1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084414 796935841 /nfs/dbraw/zinc/93/58/41/796935841.db2.gz MWSHFGJUZYTPFM-CVEARBPZSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CC[C@H]2CCCCO2)C1 ZINC001150396022 796940143 /nfs/dbraw/zinc/94/01/43/796940143.db2.gz YMLZRXANZZGPRJ-SJORKVTESA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(C)CC(F)(F)C2)C1 ZINC001150572841 796956023 /nfs/dbraw/zinc/95/60/23/796956023.db2.gz VQXMINIGHZMORQ-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001190338024 796982905 /nfs/dbraw/zinc/98/29/05/796982905.db2.gz XAXDXNBRQQELCE-WMZOPIPTSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H](OCC)C(=C)C)C1 ZINC001190443987 796998213 /nfs/dbraw/zinc/99/82/13/796998213.db2.gz MNHQANSQDVKDMW-IRXDYDNUSA-N 0 3 324.465 2.093 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCOC[C@@H]2CCCO2)C1 ZINC001190436185 797007530 /nfs/dbraw/zinc/00/75/30/797007530.db2.gz SCJIPVWCNBIMAK-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN C[C@@H]1CC[C@H](CCC(=O)NCCNCc2ccc(C#N)s2)O1 ZINC001151793315 797096906 /nfs/dbraw/zinc/09/69/06/797096906.db2.gz ATUSRWDBMCILNY-CHWSQXEVSA-N 0 3 321.446 2.173 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H](CC)c2ccccc2)C[C@H]1O ZINC001191646228 797240737 /nfs/dbraw/zinc/24/07/37/797240737.db2.gz YCKIIVPXNYSNBC-IXDOHACOSA-N 0 3 302.418 2.265 20 30 DEEDHN CC(C)CCO[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001153158473 797292531 /nfs/dbraw/zinc/29/25/31/797292531.db2.gz CPNIMYAQWUMALT-OAHLLOKOSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 ZINC001192029973 797307785 /nfs/dbraw/zinc/30/77/85/797307785.db2.gz WLOJCWHSMKXWKB-CHWSQXEVSA-N 0 3 322.371 2.237 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sccc1CN(C)C ZINC001153677672 797374828 /nfs/dbraw/zinc/37/48/28/797374828.db2.gz MTMDNKXSFOOVTP-CQSZACIVSA-N 0 3 321.490 2.273 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001154078555 797456636 /nfs/dbraw/zinc/45/66/36/797456636.db2.gz MNEZBPSGWIZIFB-ZIAGYGMSSA-N 0 3 318.465 2.370 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccccc2)on1 ZINC001154229215 797491949 /nfs/dbraw/zinc/49/19/49/797491949.db2.gz MANMLLHOZCYNLP-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)OCc1ccccc1 ZINC001154278802 797502897 /nfs/dbraw/zinc/50/28/97/797502897.db2.gz OAVVUGJVAHNWRK-CVEARBPZSA-N 0 3 302.418 2.052 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCCCC)C[C@H]1O ZINC001193240882 797528591 /nfs/dbraw/zinc/52/85/91/797528591.db2.gz LZKWPPZOYUXSKT-IAGOWNOFSA-N 0 3 308.466 2.496 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@H]2O)CCC1 ZINC001193685007 797610061 /nfs/dbraw/zinc/61/00/61/797610061.db2.gz IEKNXMMFDGASCT-HZPDHXFCSA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001193788204 797620986 /nfs/dbraw/zinc/62/09/86/797620986.db2.gz XZDZURAOLCIEAE-SJLPKXTDSA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001193797828 797626398 /nfs/dbraw/zinc/62/63/98/797626398.db2.gz XKXXACWXAWJHJH-KRWDZBQOSA-N 0 3 320.408 2.104 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC001193874680 797642873 /nfs/dbraw/zinc/64/28/73/797642873.db2.gz YVYTZICSNSLKKU-QGZVFWFLSA-N 0 3 320.408 2.104 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC001193874420 797643249 /nfs/dbraw/zinc/64/32/49/797643249.db2.gz UDVSLZLUIXFZBG-MRXNPFEDSA-N 0 3 324.371 2.314 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001194024163 797664346 /nfs/dbraw/zinc/66/43/46/797664346.db2.gz XKSJYHIBZQSLQJ-DJIMGWMZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001194059057 797671432 /nfs/dbraw/zinc/67/14/32/797671432.db2.gz AJJNWDFYNSPYRH-QGZVFWFLSA-N 0 3 306.450 2.468 20 30 DEEDHN Cc1ccc([C@H](C#N)c2ccc(-n3nccc3CN)nn2)cc1 ZINC001155123632 797689587 /nfs/dbraw/zinc/68/95/87/797689587.db2.gz BZFSDKBVXQKWQA-HNNXBMFYSA-N 0 3 304.357 2.085 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)CCc2ccc(C)o2)C1 ZINC001194229655 797689794 /nfs/dbraw/zinc/68/97/94/797689794.db2.gz ZMTNVCVSNLGOIM-MRXNPFEDSA-N 0 3 320.433 2.256 20 30 DEEDHN C[C@H](N)c1nc2ccccc2n1-c1nc(C#N)ccc1[N+](=O)[O-] ZINC001155255722 797719088 /nfs/dbraw/zinc/71/90/88/797719088.db2.gz WBYPOKIQZAMQLR-VIFPVBQESA-N 0 3 308.301 2.220 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001194397751 797722169 /nfs/dbraw/zinc/72/21/69/797722169.db2.gz ZBMKJZUKTKGZFM-WMLDXEAASA-N 0 3 320.408 2.450 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001194461817 797728334 /nfs/dbraw/zinc/72/83/34/797728334.db2.gz YKDUMDMZOXBASX-IUIKQTSFSA-N 0 3 322.474 2.495 20 30 DEEDHN CSC[C@@H](C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155783033 797845624 /nfs/dbraw/zinc/84/56/24/797845624.db2.gz OFYKYVSCMINABG-GFCCVEGCSA-N 0 3 323.437 2.292 20 30 DEEDHN N#Cc1cnc2cc[nH]c(N[C@H]3CCCC[C@@]34CNCCO4)c1-2 ZINC001155833620 797859468 /nfs/dbraw/zinc/85/94/68/797859468.db2.gz MNWKMSROFIOPOK-WMLDXEAASA-N 0 3 311.389 2.148 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001195442957 797900402 /nfs/dbraw/zinc/90/04/02/797900402.db2.gz CIQSHCMCHBVKHK-ARFHVFGLSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001195652485 797939898 /nfs/dbraw/zinc/93/98/98/797939898.db2.gz QHAKOLPNVYMWSK-LJQANCHMSA-N 0 3 316.445 2.356 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001156292612 797968638 /nfs/dbraw/zinc/96/86/38/797968638.db2.gz KYJIURYXXGAVSY-CQSZACIVSA-N 0 3 318.465 2.083 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001195843086 797975322 /nfs/dbraw/zinc/97/53/22/797975322.db2.gz ZSNGLWMAVYAJAZ-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1coc(-c2ccccc2)n1 ZINC001156428649 797998273 /nfs/dbraw/zinc/99/82/73/797998273.db2.gz VRJGAYYXRNBISN-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C#CCC1(C(=O)N2CCCN(CCCOCC)CC2)CCC1 ZINC001196107137 798008088 /nfs/dbraw/zinc/00/80/88/798008088.db2.gz IEXPBUWADOIAKV-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001196138265 798009356 /nfs/dbraw/zinc/00/93/56/798009356.db2.gz LWQWCTCVKTXVGE-BZUAXINKSA-N 0 3 320.433 2.291 20 30 DEEDHN CC[C@@H](SC)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156634090 798047519 /nfs/dbraw/zinc/04/75/19/798047519.db2.gz KETMISABTZENEA-OAHLLOKOSA-N 0 3 323.437 2.435 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001196446286 798054119 /nfs/dbraw/zinc/05/41/19/798054119.db2.gz PTTMKGXPLXAVGW-KZNAEPCWSA-N 0 3 316.445 2.164 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1oc(CC)nc1C ZINC001156816996 798086829 /nfs/dbraw/zinc/08/68/29/798086829.db2.gz VPICCDDCYGWKJS-UHFFFAOYSA-N 0 3 305.422 2.335 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001196668201 798089563 /nfs/dbraw/zinc/08/95/63/798089563.db2.gz YVWQQWHGLDCJAI-KBAYOESNSA-N 0 3 316.445 2.308 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1cc(C)cc(C)c1 ZINC001156853743 798095118 /nfs/dbraw/zinc/09/51/18/798095118.db2.gz WFCURXYINWJYNA-MRXNPFEDSA-N 0 3 302.418 2.142 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(NC(C)=O)c1 ZINC001156858251 798097172 /nfs/dbraw/zinc/09/71/72/798097172.db2.gz OIAONGSMUDKKBV-CQSZACIVSA-N 0 3 315.417 2.109 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001156902061 798105243 /nfs/dbraw/zinc/10/52/43/798105243.db2.gz XONLMXAMMHHTMD-CQSZACIVSA-N 0 3 316.449 2.142 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cccnc2OC)CC1 ZINC001197014718 798137259 /nfs/dbraw/zinc/13/72/59/798137259.db2.gz PHSIFCDRZQHUOX-UHFFFAOYSA-N 0 3 303.406 2.204 20 30 DEEDHN CN1CCC[C@H]2CN(C(=O)c3cccc4c(C#N)c[nH]c43)C[C@H]21 ZINC001157167838 798154052 /nfs/dbraw/zinc/15/40/52/798154052.db2.gz IQESJVAELPQFAR-BLLLJJGKSA-N 0 3 308.385 2.206 20 30 DEEDHN CN1CCC[C@H]2CN(C(=O)c3cccc4c(C#N)c[nH]c43)C[C@@H]21 ZINC001157167840 798154158 /nfs/dbraw/zinc/15/41/58/798154158.db2.gz IQESJVAELPQFAR-LRDDRELGSA-N 0 3 308.385 2.206 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC/C=C/CC)CC1 ZINC001197196529 798160312 /nfs/dbraw/zinc/16/03/12/798160312.db2.gz VMJGNOHQESILRF-WBXGCANISA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC001197346521 798174747 /nfs/dbraw/zinc/17/47/47/798174747.db2.gz RUYIKCMQTCMMBR-UHFFFAOYSA-N 0 3 314.433 2.468 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC1CCC(OC)CC1 ZINC001157369245 798189344 /nfs/dbraw/zinc/18/93/44/798189344.db2.gz BMLNKFRWNGAARY-KLAILNCOSA-N 0 3 308.466 2.432 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157445219 798207101 /nfs/dbraw/zinc/20/71/01/798207101.db2.gz WYAZDQDCKLTCRA-FRKPEAEDSA-N 0 3 323.809 2.096 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=S)Nc3cccc(C#N)c3)C[C@H]21 ZINC001197706489 798227707 /nfs/dbraw/zinc/22/77/07/798227707.db2.gz QOFDSOAGKOYWOA-UKRRQHHQSA-N 0 3 300.431 2.281 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001110494316 798228926 /nfs/dbraw/zinc/22/89/26/798228926.db2.gz LYMBBFQSUKFRSC-TWMKSMIVSA-N 0 3 304.434 2.081 20 30 DEEDHN C#CCCN1CCCN(C(=O)CN(CC)c2ccccc2)CC1 ZINC001198229902 798300423 /nfs/dbraw/zinc/30/04/23/798300423.db2.gz QRNORLNNZMTEOB-UHFFFAOYSA-N 0 3 313.445 2.071 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001157999399 798324086 /nfs/dbraw/zinc/32/40/86/798324086.db2.gz IJGLRZUBFDKMHR-DOTOQJQBSA-N 0 3 318.465 2.327 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2nccn21 ZINC001158061944 798334861 /nfs/dbraw/zinc/33/48/61/798334861.db2.gz WUYLLCMNUMHEQF-CVEARBPZSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc2ccccn21 ZINC001158149168 798351470 /nfs/dbraw/zinc/35/14/70/798351470.db2.gz XYEYOIGTBYVPHH-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN[C@H](CNC(=O)COC(C)C)c1ccccc1OC ZINC001198584520 798369053 /nfs/dbraw/zinc/36/90/53/798369053.db2.gz JFCJNSKHOVMGRY-MRXNPFEDSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccnc1OC ZINC001158433955 798407507 /nfs/dbraw/zinc/40/75/07/798407507.db2.gz DKACAWDSKHOZGG-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198908960 798419243 /nfs/dbraw/zinc/41/92/43/798419243.db2.gz RPVXLIMSIHWXFC-OAGGEKHMSA-N 0 3 318.417 2.053 20 30 DEEDHN C=CCOc1cc(C)nc(N2CCCc3ccc(CN)nc32)n1 ZINC001158652249 798444521 /nfs/dbraw/zinc/44/45/21/798444521.db2.gz KWRCTZSCKHEQOI-UHFFFAOYSA-N 0 3 311.389 2.288 20 30 DEEDHN COc1nc(N2CCCc3ccc(CN)nc32)c(F)cc1C#N ZINC001158652665 798445042 /nfs/dbraw/zinc/44/50/42/798445042.db2.gz SSVNVLKJIOHCRD-UHFFFAOYSA-N 0 3 313.336 2.039 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cccn1 ZINC001158723783 798458322 /nfs/dbraw/zinc/45/83/22/798458322.db2.gz JNJWCTDUWSIORM-HZPDHXFCSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCc1ccn(CC)n1 ZINC001158844697 798477340 /nfs/dbraw/zinc/47/73/40/798477340.db2.gz KRTYQMXNMIWDNX-UHFFFAOYSA-N 0 3 312.845 2.278 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CNC(=O)CC(C)(C)C ZINC001158876475 798483825 /nfs/dbraw/zinc/48/38/25/798483825.db2.gz IZWDHODRUDAZDG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001110537836 798509261 /nfs/dbraw/zinc/50/92/61/798509261.db2.gz AGBKAVBSUYFJAD-KFWWJZLASA-N 0 3 310.388 2.413 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001110540312 798519747 /nfs/dbraw/zinc/51/97/47/798519747.db2.gz MTVRLRRFIZSJBD-OIISXLGYSA-N 0 3 314.454 2.426 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCCNCc1ccc(F)cn1)OCC ZINC001159148413 798529374 /nfs/dbraw/zinc/52/93/74/798529374.db2.gz FTGHEQZZHVSARA-MRXNPFEDSA-N 0 3 323.412 2.188 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1ccc(F)cc1F ZINC001159289749 798547303 /nfs/dbraw/zinc/54/73/03/798547303.db2.gz MNGHUBQFCWWLAU-UHFFFAOYSA-N 0 3 318.751 2.192 20 30 DEEDHN CC[C@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2)OC ZINC001110543948 798559091 /nfs/dbraw/zinc/55/90/91/798559091.db2.gz OZJRRDQMGPVJGO-FPCVCCKLSA-N 0 3 306.450 2.182 20 30 DEEDHN C=CCOCCCC(=O)N1CCC(NCc2ocnc2C)CC1 ZINC001199986839 798567742 /nfs/dbraw/zinc/56/77/42/798567742.db2.gz LANKPISGBCDBEP-UHFFFAOYSA-N 0 3 321.421 2.046 20 30 DEEDHN Cc1c(Cl)c(Cl)nc(N[C@H](C)[C@@H]2CNCCO2)c1C#N ZINC001159495221 798571763 /nfs/dbraw/zinc/57/17/63/798571763.db2.gz DDFOMQDZYTYICF-SCZZXKLOSA-N 0 3 315.204 2.357 20 30 DEEDHN C[C@@H](Nc1nc(Cl)cc(Cl)c1C#N)[C@H]1CNCCO1 ZINC001159501384 798573687 /nfs/dbraw/zinc/57/36/87/798573687.db2.gz ICGHJEVXTUFNFQ-GMSGAONNSA-N 0 3 301.177 2.049 20 30 DEEDHN Cc1cccnc1CN1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159587049 798583952 /nfs/dbraw/zinc/58/39/52/798583952.db2.gz GKTLPBZBVYCTSW-HNNXBMFYSA-N 0 3 312.417 2.188 20 30 DEEDHN C=C[C@@H]1C[C@]1(Nc1cc(Cl)nc2c1CCNC2)C(=O)OCC ZINC001159805098 798612935 /nfs/dbraw/zinc/61/29/35/798612935.db2.gz HVKPEVJVXRZIPI-QLJPJBMISA-N 0 3 321.808 2.300 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CC2(C)CCCC2)CCCO1 ZINC001200420126 798622862 /nfs/dbraw/zinc/62/28/62/798622862.db2.gz POQKOSANFYPUMU-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc2ccccc2n1 ZINC001159968447 798633998 /nfs/dbraw/zinc/63/39/98/798633998.db2.gz LYXFMEKHNLXCOB-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN COc1cccc(C#N)c1NC(=S)NCCN1CCCCC1 ZINC001200430909 798636687 /nfs/dbraw/zinc/63/66/87/798636687.db2.gz JNPPIMWPKBHMMU-UHFFFAOYSA-N 0 3 318.446 2.339 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cccc(Cl)c2C)CCCO1 ZINC001200564683 798649799 /nfs/dbraw/zinc/64/97/99/798649799.db2.gz YYXZODWBWWYNOR-AWEZNQCLSA-N 0 3 320.820 2.102 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001160163279 798656844 /nfs/dbraw/zinc/65/68/44/798656844.db2.gz SUSXLDWXKYNUKK-IRXDYDNUSA-N 0 3 306.450 2.372 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@@H](CNC[C@H](F)CC)C2)CCC1 ZINC001200680440 798665079 /nfs/dbraw/zinc/66/50/79/798665079.db2.gz PCINALNDPIHGDL-CVEARBPZSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCN1CCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)CC1 ZINC001160435374 798688216 /nfs/dbraw/zinc/68/82/16/798688216.db2.gz AXWVFQIIRIZBQX-ROUUACIJSA-N 0 3 313.445 2.200 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(CCC)cc2)CCCO1 ZINC001201269168 798732564 /nfs/dbraw/zinc/73/25/64/798732564.db2.gz LBQIDQNKTLIAKU-SFHVURJKSA-N 0 3 314.429 2.093 20 30 DEEDHN CC[C@H](COC)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001160935519 798765413 /nfs/dbraw/zinc/76/54/13/798765413.db2.gz HDYZKCPNWRCVAK-NEPJUHHUSA-N 0 3 320.393 2.262 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1cc(COC)nc(SC)n1 ZINC001160954604 798770370 /nfs/dbraw/zinc/77/03/70/798770370.db2.gz ZPVLUAZHSUCKKD-ZDUSSCGKSA-N 0 3 308.451 2.407 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CCCCC(C)C)CCCO1 ZINC001201687632 798791348 /nfs/dbraw/zinc/79/13/48/798791348.db2.gz GYHPGVSTNPCYNY-QGZVFWFLSA-N 0 3 308.466 2.433 20 30 DEEDHN CCCCCCCN1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001201762789 798796190 /nfs/dbraw/zinc/79/61/90/798796190.db2.gz VITAYSMCUDKHIQ-CVEARBPZSA-N 0 3 304.438 2.336 20 30 DEEDHN CCCCCCCCCN1CCC[C@H]1C(=O)NCC(=O)OC ZINC001201852934 798801494 /nfs/dbraw/zinc/80/14/94/798801494.db2.gz SUFCITHARJONIE-HNNXBMFYSA-N 0 3 312.454 2.491 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cc(C)ccc2C)CCCO1 ZINC001201943994 798813860 /nfs/dbraw/zinc/81/38/60/798813860.db2.gz CTLADWBRFGZZEQ-KRWDZBQOSA-N 0 3 314.429 2.147 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2snnc2C)CC1 ZINC001202084623 798824699 /nfs/dbraw/zinc/82/46/99/798824699.db2.gz GYNKPMCPHZWRRT-NEPJUHHUSA-N 0 3 322.478 2.385 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC001202084590 798824808 /nfs/dbraw/zinc/82/48/08/798824808.db2.gz GQOMPZIDLJKGDI-CABCVRRESA-N 0 3 318.465 2.442 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C(C)(C)CC(C)(C)C)CCCO1 ZINC001202123283 798829328 /nfs/dbraw/zinc/82/93/28/798829328.db2.gz CDVMFKQYSYDHKT-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001202130629 798830774 /nfs/dbraw/zinc/83/07/74/798830774.db2.gz OFCCESDYJRCFOB-OAHLLOKOSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001161760865 798932544 /nfs/dbraw/zinc/93/25/44/798932544.db2.gz KVCMATHFDFQBQR-UHFFFAOYSA-N 0 3 306.797 2.333 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC001161972574 798982503 /nfs/dbraw/zinc/98/25/03/798982503.db2.gz GEMRGEXGNFSGIP-ROUUACIJSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2CCCCCC2)(COC)CC1 ZINC001162150602 799021870 /nfs/dbraw/zinc/02/18/70/799021870.db2.gz BXPLZUGYICERQK-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2C(C)(C)C2(C)C)(COC)CC1 ZINC001162182637 799029050 /nfs/dbraw/zinc/02/90/50/799029050.db2.gz OYKMRUUVDRGWOH-UHFFFAOYSA-N 0 3 320.477 2.147 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccnc1C(F)F ZINC001162227906 799038282 /nfs/dbraw/zinc/03/82/82/799038282.db2.gz ASWBVFMGRATAEK-UHFFFAOYSA-N 0 3 303.740 2.481 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CC=CCC2)(COC)CC1 ZINC001162408610 799080599 /nfs/dbraw/zinc/08/05/99/799080599.db2.gz GJDLHHZWWIOLLK-QGZVFWFLSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@]2(C)CCC[C@@H]2C)(COC)CC1 ZINC001162464326 799094316 /nfs/dbraw/zinc/09/43/16/799094316.db2.gz FLCXRAWCSFGHMV-FUHWJXTLSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(CCC)CC2)(COC)CC1 ZINC001162470618 799096445 /nfs/dbraw/zinc/09/64/45/799096445.db2.gz LNLXOXDSJTVZCX-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C[C@H](CC(F)F)C(=O)NCCCNCc1ccccc1C#N ZINC001162736873 799161938 /nfs/dbraw/zinc/16/19/38/799161938.db2.gz ZVBITZNRAUJTPU-GFCCVEGCSA-N 0 3 309.360 2.445 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1[nH]ccc1C ZINC001162797979 799176872 /nfs/dbraw/zinc/17/68/72/799176872.db2.gz KKYKORLLLWQNEU-UHFFFAOYSA-N 0 3 309.413 2.231 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CCC(F)F ZINC001162859745 799191608 /nfs/dbraw/zinc/19/16/08/799191608.db2.gz HQQQIICPODTQSQ-UHFFFAOYSA-N 0 3 308.372 2.326 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)Cc1ccc[nH]1 ZINC001163001436 799219386 /nfs/dbraw/zinc/21/93/86/799219386.db2.gz CHGUCPXLRIGGHU-UHFFFAOYSA-N 0 3 323.440 2.241 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCOCC)C12CCC2 ZINC001202606627 799286290 /nfs/dbraw/zinc/28/62/90/799286290.db2.gz HYRVOZSCHZKYFJ-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COC(C)C)C12CCC2 ZINC001202608514 799286536 /nfs/dbraw/zinc/28/65/36/799286536.db2.gz ZUWKGUHHIAORQB-STQMWFEESA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C12CCC2 ZINC001202616539 799288386 /nfs/dbraw/zinc/28/83/86/799288386.db2.gz HWIHACDHGWNJNV-HOTGVXAUSA-N 0 3 314.433 2.268 20 30 DEEDHN Cc1cncc(CC(=O)NCCCNCc2ccccc2C#N)c1 ZINC001163325525 799311366 /nfs/dbraw/zinc/31/13/66/799311366.db2.gz YMMJNJIQBYTTFS-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN C=CCCC(=O)NCCC1(CNCc2snnc2C)CC1 ZINC001163746550 799422594 /nfs/dbraw/zinc/42/25/94/799422594.db2.gz PRJULAYYDZJVLS-UHFFFAOYSA-N 0 3 308.451 2.189 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCC1(CNCc2cccc(Cl)n2)CC1 ZINC001163854443 799446265 /nfs/dbraw/zinc/44/62/65/799446265.db2.gz NOYBSIVPWCZHGB-LBPRGKRZSA-N 0 3 320.824 2.271 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2cc(C)on2)CC1 ZINC001163883754 799452507 /nfs/dbraw/zinc/45/25/07/799452507.db2.gz ZBVOFIOOZDUCFD-UHFFFAOYSA-N 0 3 311.813 2.154 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@]1(C)C=CCC1 ZINC001164127325 799518329 /nfs/dbraw/zinc/51/83/29/799518329.db2.gz IEYMQYFTDIUOLH-ZDUSSCGKSA-N 0 3 301.228 2.347 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1cc(OC)ccn1 ZINC001164221769 799543634 /nfs/dbraw/zinc/54/36/34/799543634.db2.gz FBJHEEZDIQQZSV-ZIAGYGMSSA-N 0 3 305.422 2.144 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCCNCc1cccnc1OC ZINC001164323652 799571647 /nfs/dbraw/zinc/57/16/47/799571647.db2.gz JKXAKVAUMIWCGB-AWEZNQCLSA-N 0 3 305.422 2.288 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](OC)C2CC2)CC1 ZINC001164341538 799575953 /nfs/dbraw/zinc/57/59/53/799575953.db2.gz BABYRVKLWYEBLD-ZDUSSCGKSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cc(C)co1 ZINC001164354553 799580317 /nfs/dbraw/zinc/58/03/17/799580317.db2.gz NBLVCKVXPPQMSF-UHFFFAOYSA-N 0 3 301.184 2.206 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCOCC2CC2)CC1 ZINC001164508414 799613045 /nfs/dbraw/zinc/61/30/45/799613045.db2.gz ADALOAXKASKDMS-UHFFFAOYSA-N 0 3 314.857 2.432 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc(C3CC3)cn1)C2 ZINC001095648061 799681827 /nfs/dbraw/zinc/68/18/27/799681827.db2.gz FNUSHPOZYWQQHK-IKGGRYGDSA-N 0 3 314.433 2.058 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3cncc3c1)C2 ZINC001095695243 799697682 /nfs/dbraw/zinc/69/76/82/799697682.db2.gz PGEWJAFYRYCJEF-PVAVHDDUSA-N 0 3 310.401 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C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001208395650 800974614 /nfs/dbraw/zinc/97/46/14/800974614.db2.gz ADUVWQZUDPHACQ-BFYDXBDKSA-N 0 3 308.466 2.452 20 30 DEEDHN CCOC(=O)c1cc(C#N)c(NC2=CCN(C)CC2)c(C)c1O ZINC001208859654 801080452 /nfs/dbraw/zinc/08/04/52/801080452.db2.gz WZZLJCHELHXAPS-UHFFFAOYSA-N 0 3 315.373 2.380 20 30 DEEDHN C[C@@H]1NC=C2C(=O)OCCC2=C1CN(C)Cc1ccc(C#N)cc1 ZINC001209335411 801172610 /nfs/dbraw/zinc/17/26/10/801172610.db2.gz SGILCPYQPQXOEX-ZDUSSCGKSA-N 0 3 323.396 2.109 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001209346898 801173268 /nfs/dbraw/zinc/17/32/68/801173268.db2.gz WLYXRKYVOZWPKK-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001209366999 801176639 /nfs/dbraw/zinc/17/66/39/801176639.db2.gz WYRCNTXGMPIRLM-JSGCOSHPSA-N 0 3 305.426 2.111 20 30 DEEDHN C=CCCCCCN1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001209422653 801190224 /nfs/dbraw/zinc/19/02/24/801190224.db2.gz 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C[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1NCC#Cc1ccccc1 ZINC001215659687 801891126 /nfs/dbraw/zinc/89/11/26/801891126.db2.gz CYNGQITYAUGMCZ-KBAYOESNSA-N 0 3 308.425 2.275 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3ccc(C)o3)[C@H]2C1 ZINC001217226084 802061170 /nfs/dbraw/zinc/06/11/70/802061170.db2.gz NVODLZWBAVBSLU-JLJPHGGASA-N 0 3 318.417 2.468 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3cc(C)oc3C)[C@H]2C1 ZINC001217261444 802062487 /nfs/dbraw/zinc/06/24/87/802062487.db2.gz WQQDRNXYFPZEAY-DLBZAZTESA-N 0 3 318.417 2.388 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(C)ns3)C2)C1=O ZINC001233310351 802071668 /nfs/dbraw/zinc/07/16/68/802071668.db2.gz CISIARVNNULAQU-INIZCTEOSA-N 0 3 305.447 2.452 20 30 DEEDHN C=CCOCCCC(=O)N(C)C[C@H]1CCN1CC[C@H](C)F ZINC001233491372 802132943 /nfs/dbraw/zinc/13/29/43/802132943.db2.gz XHHYUQZTAFLEEI-LSDHHAIUSA-N 0 3 300.418 2.250 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3cc(F)c[nH]3)[C@H]2C1 ZINC001218305369 802166495 /nfs/dbraw/zinc/16/64/95/802166495.db2.gz 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C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@@H]1O ZINC001220201742 802424844 /nfs/dbraw/zinc/42/48/44/802424844.db2.gz YJQLBVGFAPMHSC-OIISXLGYSA-N 0 3 320.477 2.330 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220201437 802425275 /nfs/dbraw/zinc/42/52/75/802425275.db2.gz PWXDQNIBVUQVCV-ZKMWYASASA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC/C=C/CC)C[C@@H]2O)CCC1 ZINC001220294908 802440673 /nfs/dbraw/zinc/44/06/73/802440673.db2.gz AJPHWFOCKPGGPV-QDNWOOLPSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCCCCC)C[C@@H]2O)C1 ZINC001220320906 802443248 /nfs/dbraw/zinc/44/32/48/802443248.db2.gz MEWKRWNKBBLXBX-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001220480342 802466179 /nfs/dbraw/zinc/46/61/79/802466179.db2.gz URTZNPOLBAVDIK-JQHSSLGASA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2(CC(C)C)CCCC2)[C@@H](O)C1 ZINC001220566842 802475064 /nfs/dbraw/zinc/47/50/64/802475064.db2.gz PCKHIMZUKPOABP-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001220879202 802507911 /nfs/dbraw/zinc/50/79/11/802507911.db2.gz KQSKDKKOSJOISO-NEPJUHHUSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001221233733 802539511 /nfs/dbraw/zinc/53/95/11/802539511.db2.gz DZNISXYEXBVGON-IAGOWNOFSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001221639045 802600402 /nfs/dbraw/zinc/60/04/02/802600402.db2.gz GBPSJTDZBLKXBR-RCCFBDPRSA-N 0 3 318.461 2.468 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001222068129 802637215 /nfs/dbraw/zinc/63/72/15/802637215.db2.gz QGUNPRUIQWRMDB-GXTWGEPZSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001222205863 802654914 /nfs/dbraw/zinc/65/49/14/802654914.db2.gz XRZIPJJMKMFREQ-CABCVRRESA-N 0 3 320.458 2.487 20 30 DEEDHN C=C(C)CCC(=O)NCC1CCN(CCOCC(F)F)CC1 ZINC001223352537 802783275 /nfs/dbraw/zinc/78/32/75/802783275.db2.gz FWZGILCRCIAJNT-UHFFFAOYSA-N 0 3 318.408 2.453 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COCC2CCCC2)CC1 ZINC001223504344 802796096 /nfs/dbraw/zinc/79/60/96/802796096.db2.gz PYVQDZMPRJKQIN-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc3cccnc3c2)CC1 ZINC001223571013 802802021 /nfs/dbraw/zinc/80/20/21/802802021.db2.gz WUGCVNKTKDJWJY-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(C(F)(F)F)CCC2)CC1 ZINC001223612367 802803869 /nfs/dbraw/zinc/80/38/69/802803869.db2.gz YPTRZAGZKOSDQZ-UHFFFAOYSA-N 0 3 302.340 2.180 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCc2nc(C)cs2)CC1 ZINC001223808294 802817210 /nfs/dbraw/zinc/81/72/10/802817210.db2.gz PIAMPCXUZYFSGZ-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)c2c(C)noc2C)CC1 ZINC001224855286 802910369 /nfs/dbraw/zinc/91/03/69/802910369.db2.gz LKMWVKCLKCZXBL-INIZCTEOSA-N 0 3 317.433 2.246 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225120466 802937035 /nfs/dbraw/zinc/93/70/35/802937035.db2.gz AASDMJVMWBYGOT-CGTJXYLNSA-N 0 3 314.429 2.090 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)n2cccc2)CC1 ZINC001225221199 802944604 /nfs/dbraw/zinc/94/46/04/802944604.db2.gz HMOWGHSUPBDQKN-MRXNPFEDSA-N 0 3 301.434 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(OCC)cc2)CC1 ZINC001225332911 802955741 /nfs/dbraw/zinc/95/57/41/802955741.db2.gz GSEVIWULLFSRLT-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001225631823 802993373 /nfs/dbraw/zinc/99/33/73/802993373.db2.gz RZJUARZUDOTMEZ-ZFWWWQNUSA-N 0 3 300.418 2.154 20 30 DEEDHN Cc1ccccc1OCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226641171 803135697 /nfs/dbraw/zinc/13/56/97/803135697.db2.gz WOZXQCWJRCAFRF-HNNXBMFYSA-N 0 3 315.417 2.114 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C)nc(C)c2)CC1 ZINC001227547487 803250930 /nfs/dbraw/zinc/25/09/30/803250930.db2.gz YRQGCWSPOKYBDN-UHFFFAOYSA-N 0 3 317.433 2.095 20 30 DEEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)c1cnco1 ZINC001227804749 803282483 /nfs/dbraw/zinc/28/24/83/803282483.db2.gz SCMUULSRNPNYST-IAGOWNOFSA-N 0 3 323.396 2.357 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(C)=C(C)C ZINC001228010661 803305500 /nfs/dbraw/zinc/30/55/00/803305500.db2.gz UCQAZQKQUNPQSM-HZPDHXFCSA-N 0 3 321.465 2.052 20 30 DEEDHN Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](CC#N)C[N+](C)(C)C ZINC001228622801 803382283 /nfs/dbraw/zinc/38/22/83/803382283.db2.gz LEOGWWZJPQHQAV-GFCCVEGCSA-O 0 3 317.365 2.174 20 30 DEEDHN C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001228795263 803415180 /nfs/dbraw/zinc/41/51/80/803415180.db2.gz SZBWHLNYNUOSTM-LBPRGKRZSA-N 0 3 318.421 2.040 20 30 DEEDHN CN(CC#Cc1ccc(F)cc1)C1CCN(C(=O)C(F)F)CC1 ZINC001330990267 1149353599 /nfs/dbraw/zinc/35/35/99/1149353599.db2.gz KJAXBDWJKCMMKK-UHFFFAOYSA-N 0 3 324.346 2.365 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCOc1ccc(OC)cc1 ZINC001335305535 1150394907 /nfs/dbraw/zinc/39/49/07/1150394907.db2.gz KUUADRQXNVBHFM-MRXNPFEDSA-N 0 3 306.406 2.216 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001368856076 1148721316 /nfs/dbraw/zinc/72/13/16/1148721316.db2.gz JDXPTHDQCVCYOR-VXGBXAGGSA-N 0 3 324.856 2.066 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC001368856076 1148721320 /nfs/dbraw/zinc/72/13/20/1148721320.db2.gz JDXPTHDQCVCYOR-VXGBXAGGSA-N 0 3 324.856 2.066 20 30 DEEDHN Cc1ncc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)s1 ZINC001419706211 1168811217 /nfs/dbraw/zinc/81/12/17/1168811217.db2.gz JYOPZEGIQQPEHL-SECBINFHSA-N 0 3 320.443 2.293 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)/C=C/C(C)(C)C)CC2)C1 ZINC001328115587 1148725000 /nfs/dbraw/zinc/72/50/00/1148725000.db2.gz DHXIOXWZLGTSAM-CMDGGOBGSA-N 0 3 319.493 2.383 20 30 DEEDHN CCN(CCNC(=O)[C@@H](F)C(C)C)Cc1cccc(C#N)c1 ZINC001420414244 1169506874 /nfs/dbraw/zinc/50/68/74/1169506874.db2.gz FAUKVMQKVMKRKT-INIZCTEOSA-N 0 3 305.397 2.490 20 30 DEEDHN C#Cc1ccc(C[NH2+][C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001573291368 946917385 /nfs/dbraw/zinc/91/73/85/946917385.db2.gz ZPZHHISBTYMDOD-SFHVURJKSA-N 0 3 315.380 2.105 20 30 DEEDHN C#Cc1ccc(C[NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001573291368 946917389 /nfs/dbraw/zinc/91/73/89/946917389.db2.gz ZPZHHISBTYMDOD-SFHVURJKSA-N 0 3 315.380 2.105 20 30 DEEDHN C=CC[N@H+](CCc1ccccc1)Cc1cccc(-c2nnn[n-]2)n1 ZINC001573340963 947525102 /nfs/dbraw/zinc/52/51/02/947525102.db2.gz FPXDHKVDDQNGLY-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C=CC[N@@H+](CCc1ccccc1)Cc1cccc(-c2nnn[n-]2)n1 ZINC001573340963 947525114 /nfs/dbraw/zinc/52/51/14/947525114.db2.gz FPXDHKVDDQNGLY-UHFFFAOYSA-N 0 3 320.400 2.492 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CC12CCC2 ZINC001420479224 1169628244 /nfs/dbraw/zinc/62/82/44/1169628244.db2.gz JWECIJYRGFRFQO-SMDDNHRTSA-N 0 3 303.431 2.404 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H]2OC)cc1 ZINC001343599756 1150755790 /nfs/dbraw/zinc/75/57/90/1150755790.db2.gz PDZKXKKZEZYJLB-RBSFLKMASA-N 0 3 316.357 2.158 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC001574963583 1069310639 /nfs/dbraw/zinc/31/06/39/1069310639.db2.gz WVUFLYDGJNAIMG-IAGOWNOFSA-N 0 3 312.413 2.107 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCc1cc(Br)ccc1C ZINC001574971847 1069314741 /nfs/dbraw/zinc/31/47/41/1069314741.db2.gz JARMYNHOYZLYEZ-CYBMUJFWSA-N 0 3 309.207 2.114 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NC/C=C/c2ccccc2)C1 ZINC001331787992 1149681397 /nfs/dbraw/zinc/68/13/97/1149681397.db2.gz NYABJZRAVHQCKA-RCMYXZNBSA-N 0 3 314.429 2.123 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1 ZINC001344558162 1150829417 /nfs/dbraw/zinc/82/94/17/1150829417.db2.gz OBNULJZSYFRUDC-WMLDXEAASA-N 0 3 317.389 2.264 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1nccs1 ZINC001368887627 1148747561 /nfs/dbraw/zinc/74/75/61/1148747561.db2.gz LXKYKKFBJGLPIV-NXEZZACHSA-N 0 3 320.443 2.373 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CNCc2cn[nH]n2)C(C)(C)C)CC1 ZINC001575063056 1069350061 /nfs/dbraw/zinc/35/00/61/1069350061.db2.gz ZTPMTLKJSFKDDM-HNNXBMFYSA-N 0 3 319.453 2.172 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CNCc2c[nH]nn2)C(C)(C)C)CC1 ZINC001575063056 1069350064 /nfs/dbraw/zinc/35/00/64/1069350064.db2.gz ZTPMTLKJSFKDDM-HNNXBMFYSA-N 0 3 319.453 2.172 20 30 DEEDHN COCCOc1cc(C(=O)C(C#N)c2cccc(F)n2)ccn1 ZINC001524711432 1070022258 /nfs/dbraw/zinc/02/22/58/1070022258.db2.gz AFMSTJUJVHXFTO-GFCCVEGCSA-N 0 3 315.304 2.131 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccco1)N(C)Cc1cccc(C#N)c1 ZINC001369001671 1148824085 /nfs/dbraw/zinc/82/40/85/1148824085.db2.gz WVTHESKNUKBEQI-CQSZACIVSA-N 0 3 311.385 2.330 20 30 DEEDHN C=CCCC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001527485101 1070490655 /nfs/dbraw/zinc/49/06/55/1070490655.db2.gz RZVZLTXWBYBCIL-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)CCn1cccn1 ZINC001328737451 1148829778 /nfs/dbraw/zinc/82/97/78/1148829778.db2.gz NOCRVVDHYRDILN-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCc1ccnn1C ZINC001328751810 1148831660 /nfs/dbraw/zinc/83/16/60/1148831660.db2.gz BBMYOCUQLDEGKM-MRXNPFEDSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)CN(CC)CC ZINC001532599551 1071686973 /nfs/dbraw/zinc/68/69/73/1071686973.db2.gz RJDXBWHCAHIWMW-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001499897964 1058356993 /nfs/dbraw/zinc/35/69/93/1058356993.db2.gz WAAVGZIKRCYXLR-KRWDZBQOSA-N 0 3 316.449 2.269 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]1CNCc1cnc(C)s1 ZINC001499955654 1058401786 /nfs/dbraw/zinc/40/17/86/1058401786.db2.gz WEGSMVQXRREVFJ-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(CCc2ccccc2F)CC1 ZINC001500019570 1058434848 /nfs/dbraw/zinc/43/48/48/1058434848.db2.gz FTTPWHNBURCQHQ-UHFFFAOYSA-N 0 3 302.393 2.314 20 30 DEEDHN C#CCNC[C@@H](NC(=O)[C@H](C)OC)c1ccc2ccccc2c1 ZINC001500059738 1058460938 /nfs/dbraw/zinc/46/09/38/1058460938.db2.gz HLOWDBLXQLMUAM-KBXCAEBGSA-N 0 3 310.397 2.255 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001500454138 1058796763 /nfs/dbraw/zinc/79/67/63/1058796763.db2.gz DDGTVYPPNPLWAN-IAGOWNOFSA-N 0 3 320.477 2.147 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)Cc2ccccc2)C1 ZINC001500614392 1058963024 /nfs/dbraw/zinc/96/30/24/1058963024.db2.gz VKIILGVJSLDWOT-INIZCTEOSA-N 0 3 320.383 2.326 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001500769028 1059078989 /nfs/dbraw/zinc/07/89/89/1059078989.db2.gz GFMMMRHKPSKHMG-MRXNPFEDSA-N 0 3 323.462 2.009 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ncc[nH]1)c1ccccc1CC ZINC001501018659 1059205273 /nfs/dbraw/zinc/20/52/73/1059205273.db2.gz FREGHIKXFHZNRN-INIZCTEOSA-N 0 3 310.401 2.056 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2c(C)coc2C)C1 ZINC001501318802 1059446736 /nfs/dbraw/zinc/44/67/36/1059446736.db2.gz ACZPNQUJRYNNAZ-QGZVFWFLSA-N 0 3 306.406 2.029 20 30 DEEDHN CCC/C=C/CCN1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001501324720 1059450474 /nfs/dbraw/zinc/45/04/74/1059450474.db2.gz YJGUFRHMYUIMEO-VZSQWMKGSA-N 0 3 318.461 2.089 20 30 DEEDHN C=CC[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(=O)OCC ZINC001466783223 1059535769 /nfs/dbraw/zinc/53/57/69/1059535769.db2.gz HUCQSTUTROJEEN-CVEARBPZSA-N 0 3 322.449 2.408 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@H](C)OC)C1 ZINC001501558438 1059545697 /nfs/dbraw/zinc/54/56/97/1059545697.db2.gz BOQYUECVTPHXSP-KBPBESRZSA-N 0 3 302.846 2.382 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001501607057 1059568694 /nfs/dbraw/zinc/56/86/94/1059568694.db2.gz GHXKLOJZBQGYBW-JTQLQIEISA-N 0 3 315.826 2.043 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001501665523 1059619460 /nfs/dbraw/zinc/61/94/60/1059619460.db2.gz HTLVDBSZVSNCMM-PIIMJCKOSA-N 0 3 314.429 2.203 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2cc(F)c(C)cc2F)CCC1 ZINC001501986266 1059838232 /nfs/dbraw/zinc/83/82/32/1059838232.db2.gz XPIMHUXHHZXVPR-UHFFFAOYSA-N 0 3 306.356 2.077 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)Oc2ccccc2)CCC1 ZINC001502022564 1059878174 /nfs/dbraw/zinc/87/81/74/1059878174.db2.gz LRLZKQRJWXBMPJ-OAHLLOKOSA-N 0 3 300.402 2.106 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCC1 ZINC001502027763 1059879491 /nfs/dbraw/zinc/87/94/91/1059879491.db2.gz OLUGLGNPCNPAOB-UONOGXRCSA-N 0 3 318.367 2.330 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](C)CCC(C)(C)C)CCO1 ZINC001502088141 1059919052 /nfs/dbraw/zinc/91/90/52/1059919052.db2.gz WYBVFDPGLSWHQB-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCO[C@@H](CNCCF)C1)c1ccccc1 ZINC001502094110 1059924177 /nfs/dbraw/zinc/92/41/77/1059924177.db2.gz APSAWAKBQCUYFL-RDJZCZTQSA-N 0 3 320.408 2.133 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1c[nH]nc1-c1ccccc1 ZINC001502358287 1060069919 /nfs/dbraw/zinc/06/99/19/1060069919.db2.gz KZFJPSROMKRUFC-UHFFFAOYSA-N 0 3 310.401 2.104 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001502392734 1060104284 /nfs/dbraw/zinc/10/42/84/1060104284.db2.gz TWXVIAFDFKJURN-UHFFFAOYSA-N 0 3 315.417 2.062 20 30 DEEDHN C[C@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1NCC#Cc1ccccc1 ZINC001502713490 1060240895 /nfs/dbraw/zinc/24/08/95/1060240895.db2.gz ZYLOHPYFNGYJQZ-LPHOPBHVSA-N 0 3 322.408 2.310 20 30 DEEDHN C#CCN(C(=O)c1cc(Cl)c(F)cc1N)C1CCN(C)CC1 ZINC001472034313 1060377601 /nfs/dbraw/zinc/37/76/01/1060377601.db2.gz ZUWZDTIYIUTXEO-UHFFFAOYSA-N 0 3 323.799 2.231 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CC2(C(F)(F)F)CC2)C[C@H]1C ZINC001502932632 1060400743 /nfs/dbraw/zinc/40/07/43/1060400743.db2.gz GHEKMCHDZCPFGO-NEPJUHHUSA-N 0 3 302.340 2.321 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)c2ccoc2)CC1 ZINC001503736721 1060466533 /nfs/dbraw/zinc/46/65/33/1060466533.db2.gz ZSGKDVIMLMAHDI-UHFFFAOYSA-N 0 3 319.449 2.373 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001505395215 1060527861 /nfs/dbraw/zinc/52/78/61/1060527861.db2.gz DFGPZTUSWKNFTD-UHFFFAOYSA-N 0 3 324.856 2.265 20 30 DEEDHN COCCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001505542499 1060691318 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/nfs/dbraw/zinc/65/50/06/1064655006.db2.gz HDGJEPGQHTUREU-UHFFFAOYSA-N 0 3 321.424 2.362 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001495040171 1064660382 /nfs/dbraw/zinc/66/03/82/1064660382.db2.gz YPZNJPGKWKSTQQ-JKSUJKDBSA-N 0 3 308.372 2.410 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC(F)(F)F ZINC001568260426 1064736207 /nfs/dbraw/zinc/73/62/07/1064736207.db2.gz SWCRGCUHQIQIRA-ZDUSSCGKSA-N 0 3 312.335 2.427 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001568320089 1064774186 /nfs/dbraw/zinc/77/41/86/1064774186.db2.gz ASSFNJFBZHNAFT-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CCNCc1cc(C)no1 ZINC001568379741 1064822711 /nfs/dbraw/zinc/82/27/11/1064822711.db2.gz VTBPGTWQIBBMIW-HNNXBMFYSA-N 0 3 321.421 2.046 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN(C)Cc1ccccc1CC ZINC001568483115 1064902885 /nfs/dbraw/zinc/90/28/85/1064902885.db2.gz ISMZHGWIXZQRMQ-MRXNPFEDSA-N 0 3 316.445 2.178 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccn(C(C)(C)C)n2)cc1 ZINC001495490096 1064942785 /nfs/dbraw/zinc/94/27/85/1064942785.db2.gz XDPCCGJDGHGVAQ-UHFFFAOYSA-N 0 3 324.428 2.291 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ncccc2OC)cc1 ZINC001495497198 1064948532 /nfs/dbraw/zinc/94/85/32/1064948532.db2.gz GGXKYTRTPAPIND-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN Cc1conc1C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001495585502 1064992307 /nfs/dbraw/zinc/99/23/07/1064992307.db2.gz GEYZNNCJBHNFQR-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnn(C)c1C(F)F ZINC001568697143 1065056675 /nfs/dbraw/zinc/05/66/75/1065056675.db2.gz FZXKTQMQSZODST-VIFPVBQESA-N 0 3 320.771 2.208 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1 ZINC001568701563 1065061632 /nfs/dbraw/zinc/06/16/32/1065061632.db2.gz BKTIHEPEEYHDMP-GFCCVEGCSA-N 0 3 323.824 2.496 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)N1CCc2ccccc21 ZINC001618813932 1078158980 /nfs/dbraw/zinc/15/89/80/1078158980.db2.gz NZCHPSCFKGJWHG-INIZCTEOSA-N 0 3 315.461 2.404 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1coc(C2CCOCC2)n1 ZINC001618814468 1078159441 /nfs/dbraw/zinc/15/94/41/1078159441.db2.gz XENIKCRYJKVOGF-UHFFFAOYSA-N 0 3 321.421 2.149 20 30 DEEDHN C#CCNC/C=C\CNC(=O)COc1cccc(C(C)C)c1 ZINC001568854762 1065159587 /nfs/dbraw/zinc/15/95/87/1065159587.db2.gz IHDWCAVEDXPTHA-WAYWQWQTSA-N 0 3 300.402 2.084 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)c2ccns2)cc1 ZINC001568858649 1065161756 /nfs/dbraw/zinc/16/17/56/1065161756.db2.gz RYHGRWINILFRNE-UPHRSURJSA-N 0 3 312.398 2.091 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccnn1C(CC)CC ZINC001568863161 1065162583 /nfs/dbraw/zinc/16/25/83/1065162583.db2.gz SCIYYEYPIVJIAK-HJWRWDBZSA-N 0 3 302.422 2.143 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc(OC)cc1Cl ZINC001568935851 1065199796 /nfs/dbraw/zinc/19/97/96/1065199796.db2.gz MJWPPKIELQTOJQ-WAYWQWQTSA-N 0 3 306.793 2.248 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001569118402 1065298653 /nfs/dbraw/zinc/29/86/53/1065298653.db2.gz CRASEOGVCRKVRS-GFCCVEGCSA-N 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/nfs/dbraw/zinc/47/58/95/1065475895.db2.gz FVEQSLWHEOLKEL-QZTJIDSGSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1ccccc1OC ZINC001569384517 1065482490 /nfs/dbraw/zinc/48/24/90/1065482490.db2.gz LZYMXTDQUMORPM-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC001569401771 1065491196 /nfs/dbraw/zinc/49/11/96/1065491196.db2.gz DSFXEYVKIFSXHD-MRXNPFEDSA-N 0 3 320.408 2.454 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC001569410741 1065495348 /nfs/dbraw/zinc/49/53/48/1065495348.db2.gz XFCFQPNJKNSCBA-JKSUJKDBSA-N 0 3 300.377 2.191 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cn(C)nc1C1CC1)C(C)C ZINC001496556234 1065559514 /nfs/dbraw/zinc/55/95/14/1065559514.db2.gz HKFOSBUZNIXBRX-AWEZNQCLSA-N 0 3 324.856 2.394 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCC(=O)NCC(C)(C)C ZINC001569552580 1065589120 /nfs/dbraw/zinc/58/91/20/1065589120.db2.gz HITPCUXFFBFPMR-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN(C(=O)c1ccc(C)n1C)C1CCN(CC(=C)C)CC1 ZINC001569581593 1065606910 /nfs/dbraw/zinc/60/69/10/1065606910.db2.gz DMCLQHNWNPQQHI-UHFFFAOYSA-N 0 3 313.445 2.449 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001569644075 1065644627 /nfs/dbraw/zinc/64/46/27/1065644627.db2.gz HRAHDWMFDFPDCT-QGZVFWFLSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001569646754 1065647532 /nfs/dbraw/zinc/64/75/32/1065647532.db2.gz RGAOKPPRMXSWSH-MAUKXSAKSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001569646755 1065648035 /nfs/dbraw/zinc/64/80/35/1065648035.db2.gz RGAOKPPRMXSWSH-QAPCUYQASA-N 0 3 318.465 2.146 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCN(C)CCOCc1ccccc1 ZINC001496701739 1065656842 /nfs/dbraw/zinc/65/68/42/1065656842.db2.gz ZRZQQHFGTCBWKC-UHFFFAOYSA-N 0 3 316.445 2.253 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@](C)(CNCc2cnns2)C1 ZINC001569666391 1065659338 /nfs/dbraw/zinc/65/93/38/1065659338.db2.gz 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/nfs/dbraw/zinc/89/39/04/1065893904.db2.gz YKQQRMYGQUCFEN-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)Oc2ccccc2F)CCC1 ZINC001570105044 1065924437 /nfs/dbraw/zinc/92/44/37/1065924437.db2.gz FZQLYTXPQGGTAU-AWEZNQCLSA-N 0 3 318.392 2.245 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)CCC1 ZINC001570126653 1065934497 /nfs/dbraw/zinc/93/44/97/1065934497.db2.gz YHFIZCVHEONLFJ-LBPRGKRZSA-N 0 3 306.356 2.330 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001570165957 1065946142 /nfs/dbraw/zinc/94/61/42/1065946142.db2.gz VNWKHDMVXHHWDB-QGZVFWFLSA-N 0 3 305.466 2.137 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001570169114 1065947825 /nfs/dbraw/zinc/94/78/25/1065947825.db2.gz QNAYJQBDVGMNIA-QGZVFWFLSA-N 0 3 318.392 2.060 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCc1cccc(OC)c1F ZINC001570197875 1065968499 /nfs/dbraw/zinc/96/84/99/1065968499.db2.gz WJBRUQZSRUAAHC-UHFFFAOYSA-N 0 3 320.408 2.180 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC001570198544 1065968662 /nfs/dbraw/zinc/96/86/62/1065968662.db2.gz CINJTFOCEYLINL-UHFFFAOYSA-N 0 3 324.428 2.290 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cccc2c1COCC2 ZINC001570199070 1065972403 /nfs/dbraw/zinc/97/24/03/1065972403.db2.gz WPPGBZYIKAPYTR-UHFFFAOYSA-N 0 3 314.429 2.177 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001497225670 1065973835 /nfs/dbraw/zinc/97/38/35/1065973835.db2.gz OVEGUZJPHTWZHI-DOMZBBRYSA-N 0 3 308.809 2.227 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn(CCCC)nc1C ZINC001570216213 1065975912 /nfs/dbraw/zinc/97/59/12/1065975912.db2.gz WPQCMAMHYIMJOA-UHFFFAOYSA-N 0 3 318.465 2.409 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CCNCc2ccn(CC)n2)cc1 ZINC001497240801 1065983761 /nfs/dbraw/zinc/98/37/61/1065983761.db2.gz OXZKKYOBSYBFOQ-OAHLLOKOSA-N 0 3 324.428 2.183 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](CO)(NCc2cccc(F)c2)C1 ZINC001570278815 1066002250 /nfs/dbraw/zinc/00/22/50/1066002250.db2.gz QBGPQMSNHHUEQE-GOSISDBHSA-N 0 3 320.408 2.235 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CSCCC)CCOCC1 ZINC001570297312 1066008039 /nfs/dbraw/zinc/00/80/39/1066008039.db2.gz ZEJNONJXZFQLTM-UHFFFAOYSA-N 0 3 320.886 2.137 20 30 DEEDHN C=CCCC(=O)N1CCN(C2CN(CC3CCCCC3)C2)CC1 ZINC001570400685 1066054359 /nfs/dbraw/zinc/05/43/59/1066054359.db2.gz GZESXHGKHWGEGC-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)C1 ZINC001570403872 1066054778 /nfs/dbraw/zinc/05/47/78/1066054778.db2.gz FAVHMQIAUJPDMH-QZTJIDSGSA-N 0 3 319.493 2.073 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCOc2ccccc2C)C[C@@H]1C ZINC001570449423 1066077106 /nfs/dbraw/zinc/07/71/06/1066077106.db2.gz PRDSEMZGYYKOLB-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN N#Cc1cc(C(=O)NC/C=C/CNCc2ccsc2)c[nH]1 ZINC001497563555 1066140761 /nfs/dbraw/zinc/14/07/61/1066140761.db2.gz SGLNQHVQAPWKNW-OWOJBTEDSA-N 0 3 300.387 2.024 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(F)cc2ccncc21 ZINC001497586357 1066151557 /nfs/dbraw/zinc/15/15/57/1066151557.db2.gz VDEMJLNZQMSSJO-SNAWJCMRSA-N 0 3 311.360 2.273 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001497621985 1066193618 /nfs/dbraw/zinc/19/36/18/1066193618.db2.gz ZDWUJDAKWJIIAC-SHCNBLLESA-N 0 3 312.413 2.089 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001497697685 1066247679 /nfs/dbraw/zinc/24/76/79/1066247679.db2.gz OHRKVKQQXJKAMO-HQYUYXFKSA-N 0 3 312.413 2.084 20 30 DEEDHN CC(C)CC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001575558900 1066350231 /nfs/dbraw/zinc/35/02/31/1066350231.db2.gz NLKQRTKZUUWVNA-DLBZAZTESA-N 0 3 315.417 2.222 20 30 DEEDHN CCc1cccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)n1 ZINC001497829801 1066353863 /nfs/dbraw/zinc/35/38/63/1066353863.db2.gz QVIKUZKYBJANAH-MRXNPFEDSA-N 0 3 321.424 2.404 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@H](C)C(=O)Nc1ccccc1 ZINC001497875123 1066382064 /nfs/dbraw/zinc/38/20/64/1066382064.db2.gz BVUDNAINDYKRQG-ZIAGYGMSSA-N 0 3 317.433 2.320 20 30 DEEDHN COc1ccc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)o1 ZINC001497949977 1066428874 /nfs/dbraw/zinc/42/88/74/1066428874.db2.gz YGQZRCKQZZWIJQ-SNVBAGLBSA-N 0 3 319.386 2.129 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC001498348177 1066646701 /nfs/dbraw/zinc/64/67/01/1066646701.db2.gz CABZSZIMOKSHCQ-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc2onc(CC)c2c1 ZINC001634640377 1078434300 /nfs/dbraw/zinc/43/43/00/1078434300.db2.gz CWAFXMREIRICMF-UHFFFAOYSA-N 0 3 316.405 2.365 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001499006953 1067020307 /nfs/dbraw/zinc/02/03/07/1067020307.db2.gz FWCOEDIQFPFGJQ-CQSZACIVSA-N 0 3 302.422 2.118 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)Oc1ccc(C=O)cc1 ZINC001635757652 1078457645 /nfs/dbraw/zinc/45/76/45/1078457645.db2.gz GMLTVMXVRVQAHJ-HNNXBMFYSA-N 0 3 318.417 2.233 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1ccc(OC)cc1 ZINC001499114842 1067104859 /nfs/dbraw/zinc/10/48/59/1067104859.db2.gz WDQUQMLEGOUATG-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)C3(C(F)F)CC3)CC2)c1 ZINC001499225886 1067148234 /nfs/dbraw/zinc/14/82/34/1067148234.db2.gz JGYNQCYMCHPGTF-UHFFFAOYSA-N 0 3 319.355 2.342 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NCc2ccsc2)CC1 ZINC001499388227 1067204000 /nfs/dbraw/zinc/20/40/00/1067204000.db2.gz AVZFUMNRVXDGDK-GJZGRUSLSA-N 0 3 320.458 2.468 20 30 DEEDHN COc1ccc2c(c1)N(C(=O)[C@@H](N)CCCC#N)CCCC2 ZINC001579244535 1067271513 /nfs/dbraw/zinc/27/15/13/1067271513.db2.gz ITUPMPZMJTZAAR-HNNXBMFYSA-N 0 3 301.390 2.386 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](NCc2nccn2C)C[C@@H]1C ZINC001499842970 1067357831 /nfs/dbraw/zinc/35/78/31/1067357831.db2.gz DLRGYECWFYAONT-JKSUJKDBSA-N 0 3 316.449 2.083 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cscc1Br ZINC001580049503 1067482139 /nfs/dbraw/zinc/48/21/39/1067482139.db2.gz UDSVIWDRWQMPCC-MRVPVSSYSA-N 0 3 302.197 2.470 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC001580050957 1067483432 /nfs/dbraw/zinc/48/34/32/1067483432.db2.gz UFYAVKBNQQTQMC-AWEZNQCLSA-N 0 3 311.389 2.104 20 30 DEEDHN N#Cc1cc(NC(=O)c2ccc3c(c2)OCCNC3)ccc1F ZINC001580062662 1067487082 /nfs/dbraw/zinc/48/70/82/1067487082.db2.gz MYBGMHNYTHEVBF-UHFFFAOYSA-N 0 3 311.316 2.432 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001267112370 1078589383 /nfs/dbraw/zinc/58/93/83/1078589383.db2.gz RCPLRVUHTWILCP-INIZCTEOSA-N 0 3 316.449 2.312 20 30 DEEDHN C=C1CCC(C(=O)NCC[C@@H](C)NCc2cnns2)CC1 ZINC001267143356 1078610851 /nfs/dbraw/zinc/61/08/51/1078610851.db2.gz NHQIDQLGNLIEKC-GFCCVEGCSA-N 0 3 308.451 2.269 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1cc(C)ncn1 ZINC001267146598 1078612722 /nfs/dbraw/zinc/61/27/22/1078612722.db2.gz SHYRKRLPEAXACA-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CC(CNCc2snnc2C)C1 ZINC001570571914 1068014065 /nfs/dbraw/zinc/01/40/65/1068014065.db2.gz LDZCLDMHNAKLFA-SEEARECTSA-N 0 3 322.478 2.433 20 30 DEEDHN C[C@@H](NC(=O)c1ccncc1)[C@H](C)NCC#Cc1ccccc1 ZINC001570585472 1068020483 /nfs/dbraw/zinc/02/04/83/1068020483.db2.gz VYZRNOFYTBIPSC-JKSUJKDBSA-N 0 3 307.397 2.230 20 30 DEEDHN CCOCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570586776 1068021086 /nfs/dbraw/zinc/02/10/86/1068021086.db2.gz CMCOTVRLCHFNEG-KGLIPLIRSA-N 0 3 322.836 2.211 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001510163094 1068048826 /nfs/dbraw/zinc/04/88/26/1068048826.db2.gz ISTLMAPVKIBDRK-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712932 1068089266 /nfs/dbraw/zinc/08/92/66/1068089266.db2.gz VLTFOHBHAHQIDF-OLZOCXBDSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712932 1068089280 /nfs/dbraw/zinc/08/92/80/1068089280.db2.gz VLTFOHBHAHQIDF-OLZOCXBDSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC001570749250 1068107879 /nfs/dbraw/zinc/10/78/79/1068107879.db2.gz QDINPIKNNBSQNA-ZIAGYGMSSA-N 0 3 308.397 2.353 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@@H](NCc1nccn1C)C(C)C ZINC001570775079 1068114714 /nfs/dbraw/zinc/11/47/14/1068114714.db2.gz NEPXPIDXTZOLFB-MRXNPFEDSA-N 0 3 318.465 2.042 20 30 DEEDHN C[C@@H](C(=O)NC1(CNCC#N)CCCCC1)N1CCCCCC1 ZINC001570803213 1068120837 /nfs/dbraw/zinc/12/08/37/1068120837.db2.gz MAPVIADRRGYCJL-INIZCTEOSA-N 0 3 320.481 2.183 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001570826655 1068130923 /nfs/dbraw/zinc/13/09/23/1068130923.db2.gz AXJODZCBBMNPPQ-IAGOWNOFSA-N 0 3 316.449 2.218 20 30 DEEDHN C#CCN1C[C@@H]2C(CNC(=O)C/C=C\c3ccc(C)cc3)[C@@H]2C1 ZINC001570963967 1068167147 /nfs/dbraw/zinc/16/71/47/1068167147.db2.gz BETJNVQVSSRVGG-UQWQIANJSA-N 0 3 308.425 2.326 20 30 DEEDHN CO[C@H](C)C(=O)N[C@H](C)CCCNCc1ccc(C#N)cc1F ZINC001571232572 1068197416 /nfs/dbraw/zinc/19/74/16/1068197416.db2.gz SNGPKVVQSRZPQK-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCNCc1ccns1 ZINC001571311801 1068215768 /nfs/dbraw/zinc/21/57/68/1068215768.db2.gz ONGKWIXGUACHFN-YUELXQCFSA-N 0 3 323.462 2.109 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H]1C ZINC001511167955 1068224337 /nfs/dbraw/zinc/22/43/37/1068224337.db2.gz DGXACHJLAIHVHQ-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C(C)(C)C)cn1 ZINC001571387799 1068267982 /nfs/dbraw/zinc/26/79/82/1068267982.db2.gz CFECIMYYYYOXBE-AWEZNQCLSA-N 0 3 301.434 2.453 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)CC2CCCCC2)C1 ZINC001571469595 1068321615 /nfs/dbraw/zinc/32/16/15/1068321615.db2.gz SEIFNBNJVDURIS-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001267240370 1078691046 /nfs/dbraw/zinc/69/10/46/1078691046.db2.gz JYSYKPQWHOLWRC-QGZVFWFLSA-N 0 3 308.397 2.091 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001409839845 1078698098 /nfs/dbraw/zinc/69/80/98/1078698098.db2.gz KLSKEZCJCKWUHD-CHWSQXEVSA-N 0 3 310.401 2.264 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)c3ccncc3)CCC[C@@H]12 ZINC001571501379 1068359524 /nfs/dbraw/zinc/35/95/24/1068359524.db2.gz PYHKQVABNWACKL-KVSKMBFKSA-N 0 3 311.429 2.322 20 30 DEEDHN CC#CCN(CC)CCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC001267254115 1078699805 /nfs/dbraw/zinc/69/98/05/1078699805.db2.gz DKJZKELXSYKRJC-SFHVURJKSA-N 0 3 315.461 2.141 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)CCc2ccco2)[C@H]1C ZINC001571514803 1068376409 /nfs/dbraw/zinc/37/64/09/1068376409.db2.gz KLNMWHHULJPBRQ-WBVHZDCISA-N 0 3 320.433 2.384 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN1C[C@H]1CC(C)(C)CO1 ZINC001267266626 1078712766 /nfs/dbraw/zinc/71/27/66/1078712766.db2.gz KRLODRSADKZFCJ-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CCC(=O)NC1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001511953961 1068439064 /nfs/dbraw/zinc/43/90/64/1068439064.db2.gz ISBVCJQMLFKWBC-DQPZFDDXSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CC(NC(=O)CN(C)CCC)C1 ZINC001511985883 1068445363 /nfs/dbraw/zinc/44/53/63/1068445363.db2.gz ACPAJUPMEZXHFQ-JMLCCBQJSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)C#CC(=O)NCC1=CCN(CCOCC(C)C)CC1 ZINC001571687029 1068481498 /nfs/dbraw/zinc/48/14/98/1068481498.db2.gz RHRYSCGTHKGWLN-UHFFFAOYSA-N 0 3 306.450 2.067 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001267276477 1078721865 /nfs/dbraw/zinc/72/18/65/1078721865.db2.gz QLCGSTQPVKMJCZ-GFCCVEGCSA-N 0 3 311.813 2.065 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001267280961 1078727508 /nfs/dbraw/zinc/72/75/08/1078727508.db2.gz IEIFGFUNSOGBMC-INIZCTEOSA-N 0 3 318.417 2.092 20 30 DEEDHN Cc1noc(C)c1CN1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267293338 1078738842 /nfs/dbraw/zinc/73/88/42/1078738842.db2.gz QTWPIHVKPCNXJP-OAHLLOKOSA-N 0 3 317.433 2.279 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001480931521 1078748083 /nfs/dbraw/zinc/74/80/83/1078748083.db2.gz BQFCRJDUGHLHHI-QWHCGFSZSA-N 0 3 324.346 2.279 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001267304321 1078749903 /nfs/dbraw/zinc/74/99/03/1078749903.db2.gz YGJWRPRXJVKKSB-ZDUSSCGKSA-N 0 3 308.784 2.093 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001572260071 1068709313 /nfs/dbraw/zinc/70/93/13/1068709313.db2.gz RQSDVVQTGSXIQY-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001572266891 1068711638 /nfs/dbraw/zinc/71/16/38/1068711638.db2.gz IFGOGSGXHMDBEV-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001572266893 1068712179 /nfs/dbraw/zinc/71/21/79/1068712179.db2.gz IFGOGSGXHMDBEV-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CCOC2CCC2)C2CC2)C1 ZINC001267332078 1078770822 /nfs/dbraw/zinc/77/08/22/1078770822.db2.gz BHSBGZULXPHHIA-UHFFFAOYSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001483672681 1078771232 /nfs/dbraw/zinc/77/12/32/1078771232.db2.gz WOMAOYZEGHZJTM-SJORKVTESA-N 0 3 307.482 2.408 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001483674349 1078773485 /nfs/dbraw/zinc/77/34/85/1078773485.db2.gz KUJKQDLKGGFKNE-HNNXBMFYSA-N 0 3 317.433 2.103 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001572370321 1068736198 /nfs/dbraw/zinc/73/61/98/1068736198.db2.gz QRPKFKGIIQMBHM-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCC(=O)N(CCN(C)C(=O)CN1CCC[C@H]1C)C(C)C ZINC001572503507 1068783595 /nfs/dbraw/zinc/78/35/95/1068783595.db2.gz APNCONDBSWKUHY-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1C[C@H]2CCCC[C@H]21 ZINC001643707633 1078809678 /nfs/dbraw/zinc/80/96/78/1078809678.db2.gz NQWZDFHKITZDQZ-RHSMWYFYSA-N 0 3 308.381 2.160 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cnn2c1cccc2OC ZINC001517046143 1068950486 /nfs/dbraw/zinc/95/04/86/1068950486.db2.gz LFDXJDQXXGFRLC-LLVKDONJSA-N 0 3 309.329 2.049 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCN1CC[C@@H](C)F ZINC001483696590 1078815128 /nfs/dbraw/zinc/81/51/28/1078815128.db2.gz LILIBYLIYSKCFY-PBHICJAKSA-N 0 3 302.393 2.149 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001483701221 1078820408 /nfs/dbraw/zinc/82/04/08/1078820408.db2.gz GKIJZSSSIDGASE-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001483705818 1078831252 /nfs/dbraw/zinc/83/12/52/1078831252.db2.gz JIRHOIUUPVMUAC-DLBZAZTESA-N 0 3 301.434 2.056 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001272360844 1078831271 /nfs/dbraw/zinc/83/12/71/1078831271.db2.gz QPXHIGWAPTYUOH-KBPBESRZSA-N 0 3 310.829 2.025 20 30 DEEDHN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@@H](CC)CN1 ZINC001573712489 1069076033 /nfs/dbraw/zinc/07/60/33/1069076033.db2.gz MSHUDVXSLILOFB-IMJJTQAJSA-N 0 3 315.417 2.315 20 30 DEEDHN CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)[C@H](CC)CN1 ZINC001573719301 1069079238 /nfs/dbraw/zinc/07/92/38/1069079238.db2.gz OBAVHLJKAKLRHE-HZPDHXFCSA-N 0 3 315.417 2.120 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(O)ccc2O)C1=O ZINC001272385588 1078845404 /nfs/dbraw/zinc/84/54/04/1078845404.db2.gz CNGIPFSNALDRJQ-SFHVURJKSA-N 0 3 316.401 2.241 20 30 DEEDHN CCCCC(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CC1 ZINC001483715707 1078852287 /nfs/dbraw/zinc/85/22/87/1078852287.db2.gz HUEAYWMUDYTYBA-UHFFFAOYSA-N 0 3 315.417 2.495 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cnc(CC(C)(C)C)s1 ZINC001267452094 1078859037 /nfs/dbraw/zinc/85/90/37/1078859037.db2.gz CGKLGWZQIJDIIP-UHFFFAOYSA-N 0 3 307.463 2.417 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C)[C@H](C)C2)c1 ZINC001644953166 1078869006 /nfs/dbraw/zinc/86/90/06/1078869006.db2.gz PUDPHNQUDGGROB-UONOGXRCSA-N 0 3 313.401 2.294 20 30 DEEDHN CCCC[C@@H](CC)CN1CC2(C1)COCC(=O)N2CCCC#N ZINC001272430179 1078869175 /nfs/dbraw/zinc/86/91/75/1078869175.db2.gz OLSKWLVYODFARL-MRXNPFEDSA-N 0 3 321.465 2.420 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCc2ccncc2)C1 ZINC001267466495 1078880145 /nfs/dbraw/zinc/88/01/45/1078880145.db2.gz PJGYQBLTDFOVQB-SFHVURJKSA-N 0 3 313.445 2.350 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](COC)c1ccc(F)cc1 ZINC001574852269 1069278132 /nfs/dbraw/zinc/27/81/32/1069278132.db2.gz RCYFPUDAYNBROK-QWHCGFSZSA-N 0 3 300.761 2.099 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccnc([C@H]2CCCN2)n1 ZINC001574871988 1069283265 /nfs/dbraw/zinc/28/32/65/1069283265.db2.gz AHHIXOIMDSJZSP-MLGOLLRUSA-N 0 3 304.394 2.068 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001574902734 1069291851 /nfs/dbraw/zinc/29/18/51/1069291851.db2.gz DZUUHEKUYVOEGZ-ZYHUDNBSSA-N 0 3 302.378 2.129 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(C2(C)OCCO2)c1 ZINC001574908513 1069294731 /nfs/dbraw/zinc/29/47/31/1069294731.db2.gz QHVMUOADJXJISY-INIZCTEOSA-N 0 3 318.417 2.206 20 30 DEEDHN C=CCSCCn1c(C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001540910182 1072434207 /nfs/dbraw/zinc/43/42/07/1072434207.db2.gz ZVMFZJHMMOTDQB-UHFFFAOYSA-N 0 3 323.510 2.426 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCCCO ZINC001541105851 1072438145 /nfs/dbraw/zinc/43/81/45/1072438145.db2.gz XOUJTAVDZGTKRU-UHFFFAOYSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCCC(=O)N(C)CC(C)(C)CNCc1cc(C)n(C)n1 ZINC001329279559 1148880228 /nfs/dbraw/zinc/88/02/28/1148880228.db2.gz YBNDLTJILHRNCT-UHFFFAOYSA-N 0 3 306.454 2.269 20 30 DEEDHN CCCCN(C)CCNC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001543232849 1072484150 /nfs/dbraw/zinc/48/41/50/1072484150.db2.gz WMYCBEYZZBETIS-YFHOEESVSA-N 0 3 306.381 2.256 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)CCN1C ZINC001545105912 1072560893 /nfs/dbraw/zinc/56/08/93/1072560893.db2.gz RVUWWGVTMODOBL-ITPJJHHZSA-N 0 3 304.365 2.007 20 30 DEEDHN C=C(C)CN1C[C@@]2(CCN(CCCC(F)(F)F)C2)OCC1=O ZINC001272505344 1078935416 /nfs/dbraw/zinc/93/54/16/1078935416.db2.gz CNTZFGKIRNTFPV-AWEZNQCLSA-N 0 3 320.355 2.208 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](O)CN[C@@H](C)c2ccccc2F)C1 ZINC001272520984 1078946712 /nfs/dbraw/zinc/94/67/12/1078946712.db2.gz MODOJDKKBOCKTO-KBPBESRZSA-N 0 3 320.408 2.310 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(C)n[nH]3)CC2)C1=O ZINC001272542644 1078955051 /nfs/dbraw/zinc/95/50/51/1078955051.db2.gz CYHKAXNIKMJBLX-KRWDZBQOSA-N 0 3 302.422 2.109 20 30 DEEDHN C=CCN1CC[C@H](N(CCC)C(=O)CCCn2ccnc2C)C1 ZINC001267548166 1078979224 /nfs/dbraw/zinc/97/92/24/1078979224.db2.gz ZQCRVRUOVHWOHO-KRWDZBQOSA-N 0 3 318.465 2.471 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)c2ccc(Cl)o2)C1 ZINC001267551177 1078981611 /nfs/dbraw/zinc/98/16/11/1078981611.db2.gz LDXLHKQMKLUKDW-ZDUSSCGKSA-N 0 3 324.808 2.025 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc([C@@H]3CCOC3)c2)CC1 ZINC001483747164 1078984639 /nfs/dbraw/zinc/98/46/39/1078984639.db2.gz RLBDBNZOCWPKNN-QGZVFWFLSA-N 0 3 312.413 2.066 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)CN(C)C(=O)C1(C)CCC1 ZINC001283651150 1078988350 /nfs/dbraw/zinc/98/83/50/1078988350.db2.gz CNCDHVZCVZVEAR-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001480990756 1079034531 /nfs/dbraw/zinc/03/45/31/1079034531.db2.gz CGQBHBMFZXFBEV-UHFFFAOYSA-N 0 3 306.435 2.181 20 30 DEEDHN CC(C)(NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1cccc(C#N)c1 ZINC001649026782 1079046105 /nfs/dbraw/zinc/04/61/05/1079046105.db2.gz BYJFWHUXAFGJAC-AWEZNQCLSA-N 0 3 323.400 2.213 20 30 DEEDHN CCN(C)Cc1cc(O[C@@H]2CCN(CC3(C#N)CC3)C2)ccn1 ZINC001646006639 1079075529 /nfs/dbraw/zinc/07/55/29/1079075529.db2.gz SYGYOCPEPZKXKG-QGZVFWFLSA-N 0 3 314.433 2.290 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)nc1 ZINC001267596323 1079114749 /nfs/dbraw/zinc/11/47/49/1079114749.db2.gz YEGHUTIXRCXGHX-VOGXCRAGSA-N 0 3 317.820 2.257 20 30 DEEDHN CCc1c(C(=O)N(C)CCNCc2ccc(C#N)cc2)ccn1C ZINC001649439898 1079120030 /nfs/dbraw/zinc/12/00/30/1079120030.db2.gz JEPPSSNSXMLXHT-UHFFFAOYSA-N 0 3 324.428 2.321 20 30 DEEDHN Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)C#CC2CC2)c1 ZINC001649448278 1079123473 /nfs/dbraw/zinc/12/34/73/1079123473.db2.gz MSQRFCSQYLRITP-CQSZACIVSA-N 0 3 302.393 2.484 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)OCc1ccncc1 ZINC001481058754 1079137897 /nfs/dbraw/zinc/13/78/97/1079137897.db2.gz ORYHELOQSYWRPG-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)OCc1ccncc1 ZINC001481058756 1079138505 /nfs/dbraw/zinc/13/85/05/1079138505.db2.gz ORYHELOQSYWRPG-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CC(C)(C)COC)C2)CC1 ZINC001483834504 1079144337 /nfs/dbraw/zinc/14/43/37/1079144337.db2.gz HRHQYSVXGWPYKL-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCN(CCc2c(F)cccc2F)C1 ZINC001481084937 1079166945 /nfs/dbraw/zinc/16/69/45/1079166945.db2.gz XXMFMMPPABKEKE-OLZOCXBDSA-N 0 3 321.371 2.105 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001481088288 1079170177 /nfs/dbraw/zinc/17/01/77/1079170177.db2.gz WRWNRCQNDQRGDJ-MRXNPFEDSA-N 0 3 300.377 2.177 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCOc2c(C)cccc2C)C1 ZINC001481097274 1079180251 /nfs/dbraw/zinc/18/02/51/1079180251.db2.gz YWWAKSXYRHYDCK-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001481109611 1079194773 /nfs/dbraw/zinc/19/47/73/1079194773.db2.gz BNCVDJODXPVRSL-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001481121104 1079217657 /nfs/dbraw/zinc/21/76/57/1079217657.db2.gz SXXCLRFRYPFTHX-IAGOWNOFSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C(=O)c1ccnn1CC)C1CCN(CC(=C)C)CC1 ZINC001483982658 1079219676 /nfs/dbraw/zinc/21/96/76/1079219676.db2.gz CBMZBZBKWMAPMS-UHFFFAOYSA-N 0 3 314.433 2.019 20 30 DEEDHN C#CCN(C(=O)CC[C@@H]1CCCO1)C1CCN(CC(=C)C)CC1 ZINC001483980281 1079224006 /nfs/dbraw/zinc/22/40/06/1079224006.db2.gz JLQOCVDPGAIXJX-SFHVURJKSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCN(C(=O)c1cnco1)C1CCN(CC=C(C)C)CC1 ZINC001483985553 1079226307 /nfs/dbraw/zinc/22/63/07/1079226307.db2.gz BEHNCQTVQMPHMQ-UHFFFAOYSA-N 0 3 301.390 2.181 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCCC12CC2)C1CCN(CCOC)CC1 ZINC001483984301 1079226687 /nfs/dbraw/zinc/22/66/87/1079226687.db2.gz WASSJMNWOPFKGX-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN CC(=O)N[C@@H](CNCC#Cc1ccc(F)cc1)C1CCCC1 ZINC001483989993 1079227810 /nfs/dbraw/zinc/22/78/10/1079227810.db2.gz DCKARCAHOORWNM-SFHVURJKSA-N 0 3 302.393 2.462 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1csc(-c2ccco2)n1 ZINC001481145169 1079252147 /nfs/dbraw/zinc/25/21/47/1079252147.db2.gz CKLKWTYRNUUROL-UHFFFAOYSA-N 0 3 317.414 2.478 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001484073026 1079287768 /nfs/dbraw/zinc/28/77/68/1079287768.db2.gz GXUZWDBWUNQUKY-FUHWJXTLSA-N 0 3 318.392 2.117 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2ccccc2OC)C1 ZINC001484069185 1079290184 /nfs/dbraw/zinc/29/01/84/1079290184.db2.gz GRPYTHMLUSPROY-SFHVURJKSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc(C(C)C)nn1C)C1CC1 ZINC001481191844 1079313926 /nfs/dbraw/zinc/31/39/26/1079313926.db2.gz LRCXCIGJPHTGMF-UHFFFAOYSA-N 0 3 304.438 2.314 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cnc3ccccn23)C1 ZINC001484163115 1079337824 /nfs/dbraw/zinc/33/78/24/1079337824.db2.gz HUMYYBCLFRDIBB-IBGZPJMESA-N 0 3 324.428 2.190 20 30 DEEDHN CSc1ccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)cc1C#N ZINC001647395869 1074911756 /nfs/dbraw/zinc/91/17/56/1074911756.db2.gz YBFVYNGJGVYUNA-VXGBXAGGSA-N 0 3 318.446 2.172 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn(C)nc1C1CCC1 ZINC001556467088 1075032694 /nfs/dbraw/zinc/03/26/94/1075032694.db2.gz ZCGGKTQLSUXHRP-UHFFFAOYSA-N 0 3 304.438 2.268 20 30 DEEDHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2CCOCCC#N ZINC001560217392 1075133728 /nfs/dbraw/zinc/13/37/28/1075133728.db2.gz VYWWAEZIODMBHE-UHFFFAOYSA-N 0 3 323.437 2.438 20 30 DEEDHN CC[C@@H](CNC(=O)C(C)(C)F)NCC#Cc1ccc(F)cc1 ZINC001567947679 1075136341 /nfs/dbraw/zinc/13/63/41/1075136341.db2.gz PVRXNFJLFPFBKV-HNNXBMFYSA-N 0 3 308.372 2.410 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC001562758629 1075163668 /nfs/dbraw/zinc/16/36/68/1075163668.db2.gz FMKWVAHNTRTOIG-UHFFFAOYSA-N 0 3 315.417 2.477 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCOCC(C)C ZINC001565992312 1075214239 /nfs/dbraw/zinc/21/42/39/1075214239.db2.gz GTAGSJVGORCNGU-BPQIPLTHSA-N 0 3 320.477 2.288 20 30 DEEDHN CC[C@H]1CCC[C@@H]1C(=O)NCCCN(CC#CCOC)C1CC1 ZINC001566596315 1075293032 /nfs/dbraw/zinc/29/30/32/1075293032.db2.gz CQUZJPWOIZDNLO-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001566637591 1075303322 /nfs/dbraw/zinc/30/33/22/1075303322.db2.gz CPBNDYDBIXHCKA-PIIMJCKOSA-N 0 3 319.493 2.123 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN2CCN(CC/C=C/CC)CC2)C1 ZINC001566652729 1075305030 /nfs/dbraw/zinc/30/50/30/1075305030.db2.gz ZORXMLQSKIMNEM-AATRIKPKSA-N 0 3 319.493 2.433 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001566665043 1075309756 /nfs/dbraw/zinc/30/97/56/1075309756.db2.gz KBYAKGOZTWCBSQ-HNNXBMFYSA-N 0 3 312.429 2.442 20 30 DEEDHN CC1(C(=O)NC[C@@H](NCC#Cc2ccc(F)cc2)C2CC2)CC1 ZINC001566712195 1075324029 /nfs/dbraw/zinc/32/40/29/1075324029.db2.gz DOHJAKGHMAPHLE-QGZVFWFLSA-N 0 3 314.404 2.462 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566799029 1075347764 /nfs/dbraw/zinc/34/77/64/1075347764.db2.gz AOXFLCDDARPSEY-STECZYCISA-N 0 3 300.377 2.070 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001566801835 1075348717 /nfs/dbraw/zinc/34/87/17/1075348717.db2.gz DRCSDIQLAOXKET-JOCQHMNTSA-N 0 3 305.426 2.021 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1C[C@@H](NC(=O)C#CC(C)C)C1 ZINC001566838628 1075357875 /nfs/dbraw/zinc/35/78/75/1075357875.db2.gz WUQFCRURUMTCQI-OKILXGFUSA-N 0 3 305.447 2.156 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2coc3ccccc23)C1 ZINC001566878538 1075372482 /nfs/dbraw/zinc/37/24/82/1075372482.db2.gz BTCJEWCIXSILIM-OAHLLOKOSA-N 0 3 310.397 2.437 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001566927896 1075389580 /nfs/dbraw/zinc/38/95/80/1075389580.db2.gz ZDQZHCXGMFBBIL-KRWDZBQOSA-N 0 3 301.434 2.343 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCOC(C)C ZINC001566955813 1075398700 /nfs/dbraw/zinc/39/87/00/1075398700.db2.gz QLHXPCBGVDOPTC-SJORKVTESA-N 0 3 306.450 2.280 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1Cl ZINC001267713179 1079400561 /nfs/dbraw/zinc/40/05/61/1079400561.db2.gz DGCXXDCRWAXNGI-AGIUHOORSA-N 0 3 322.840 2.327 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1snc(Cl)c1Cl ZINC001567020187 1075417491 /nfs/dbraw/zinc/41/74/91/1075417491.db2.gz NSTVPUYWVWXARJ-SSDOTTSWSA-N 0 3 306.218 2.181 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1ccccc1C(C)C ZINC001567020828 1075418585 /nfs/dbraw/zinc/41/85/85/1075418585.db2.gz AJNDZRGGNMLJCX-HNNXBMFYSA-N 0 3 302.418 2.168 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)NCc2cncc(F)c2)cc1 ZINC001567042630 1075421202 /nfs/dbraw/zinc/42/12/02/1075421202.db2.gz WKWHADDSMJZQKA-ZDUSSCGKSA-N 0 3 311.360 2.110 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)NCc1cnccc1C ZINC001567074509 1075427105 /nfs/dbraw/zinc/42/71/05/1075427105.db2.gz QXRCMZAYVQMYKJ-MRXNPFEDSA-N 0 3 321.424 2.208 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2)C1 ZINC001567202413 1075463000 /nfs/dbraw/zinc/46/30/00/1075463000.db2.gz OCYCHDHMLOTMAV-IRXDYDNUSA-N 0 3 314.429 2.400 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1cc(C)n[nH]1 ZINC001567247973 1075474435 /nfs/dbraw/zinc/47/44/35/1075474435.db2.gz UAOYRZQZCLJJRK-ZDUSSCGKSA-N 0 3 310.829 2.445 20 30 DEEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCN(CCc2cccs2)C1 ZINC001267763597 1079466550 /nfs/dbraw/zinc/46/65/50/1079466550.db2.gz YYAKPKRVDSODQK-OAHLLOKOSA-N 0 3 304.459 2.483 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(CCOCC)CCC2)C1 ZINC001267764630 1079468147 /nfs/dbraw/zinc/46/81/47/1079468147.db2.gz WUXFDIFGFMFNBG-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)CCCC(F)(F)F)C1 ZINC001267773534 1079483594 /nfs/dbraw/zinc/48/35/94/1079483594.db2.gz NRSIFOFJYYHHMX-ZDUSSCGKSA-N 0 3 322.371 2.454 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001583755292 1076275146 /nfs/dbraw/zinc/27/51/46/1076275146.db2.gz AJLKALFEFFZHTG-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](CC)C1 ZINC001584535889 1076302772 /nfs/dbraw/zinc/30/27/72/1076302772.db2.gz POTPKQUTKBTUCL-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001587915611 1076429649 /nfs/dbraw/zinc/42/96/49/1076429649.db2.gz ONOQVLMRCUIFMH-MRXNPFEDSA-N 0 3 315.396 2.098 20 30 DEEDHN C=C(C)CC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588424837 1076447513 /nfs/dbraw/zinc/44/75/13/1076447513.db2.gz OGWKNJJAYLNTNO-UHFFFAOYSA-N 0 3 313.405 2.428 20 30 DEEDHN C=C(C)CC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588424837 1076447515 /nfs/dbraw/zinc/44/75/15/1076447515.db2.gz OGWKNJJAYLNTNO-UHFFFAOYSA-N 0 3 313.405 2.428 20 30 DEEDHN C=CCC[C@@H](CCC)[NH2+]CCNc1ncccc1-c1nnn[n-]1 ZINC001588578245 1076455629 /nfs/dbraw/zinc/45/56/29/1076455629.db2.gz ZQZJRUDGPIOHBW-CYBMUJFWSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CCC[C@@H](CCC)[NH2+]CCNc1ncccc1-c1nn[n-]n1 ZINC001588578245 1076455634 /nfs/dbraw/zinc/45/56/34/1076455634.db2.gz ZQZJRUDGPIOHBW-CYBMUJFWSA-N 0 3 315.425 2.398 20 30 DEEDHN N#CCCCC[NH+]1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592674857 1076950482 /nfs/dbraw/zinc/95/04/82/1076950482.db2.gz LJGBQOIRPMUYSH-UHFFFAOYSA-N 0 3 311.393 2.135 20 30 DEEDHN N#CCCCC[NH+]1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592674857 1076950483 /nfs/dbraw/zinc/95/04/83/1076950483.db2.gz LJGBQOIRPMUYSH-UHFFFAOYSA-N 0 3 311.393 2.135 20 30 DEEDHN C=CCn1c(C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001595324091 1077060601 /nfs/dbraw/zinc/06/06/01/1077060601.db2.gz USDOIBKZLLQWQD-UHFFFAOYSA-N 0 3 323.444 2.062 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2ccnc(OC)c2)C1 ZINC001267818429 1079513505 /nfs/dbraw/zinc/51/35/05/1079513505.db2.gz GJPDSWGNSZMUKL-OAHLLOKOSA-N 0 3 317.433 2.431 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CC)NCC(=O)N(C)C)CCCCC1 ZINC001267830257 1079520948 /nfs/dbraw/zinc/52/09/48/1079520948.db2.gz AVGYRZUZJMNJOJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CC)NCC(=O)N(C)C)CCCCC1 ZINC001267830258 1079521102 /nfs/dbraw/zinc/52/11/02/1079521102.db2.gz AVGYRZUZJMNJOJ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1CC ZINC001484322555 1079538507 /nfs/dbraw/zinc/53/85/07/1079538507.db2.gz AFZNZWMPLKZJBM-MSOLQXFVSA-N 0 3 314.429 2.198 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1[nH]cnc1C)c1ccccc1CC ZINC001484327889 1079543271 /nfs/dbraw/zinc/54/32/71/1079543271.db2.gz WVKLSJWPLLEURX-QGZVFWFLSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001267896347 1079580996 /nfs/dbraw/zinc/58/09/96/1079580996.db2.gz AUESRFSMWZSFIR-CQSZACIVSA-N 0 3 324.856 2.231 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2ccccc2C)C1 ZINC001484426336 1079609280 /nfs/dbraw/zinc/60/92/80/1079609280.db2.gz LVJVNHBTJYZHLT-GOSISDBHSA-N 0 3 302.418 2.128 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cncc(C#C)c2)cc1 ZINC001484561895 1079661394 /nfs/dbraw/zinc/66/13/94/1079661394.db2.gz SHVSWZIOAXQHFC-HNNXBMFYSA-N 0 3 317.392 2.277 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)CNCc2cc(C)n(C)n2)CC1 ZINC001268001612 1079683454 /nfs/dbraw/zinc/68/34/54/1079683454.db2.gz GBSCXVPYJUMXHG-AWEZNQCLSA-N 0 3 318.465 2.317 20 30 DEEDHN COC(=O)N1CCC(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001650518838 1079686520 /nfs/dbraw/zinc/68/65/20/1079686520.db2.gz GAWIZNBRSGZXRR-NSHDSACASA-N 0 3 323.299 2.014 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCC(C)=C(C)C2)CCC1 ZINC001484635352 1079694538 /nfs/dbraw/zinc/69/45/38/1079694538.db2.gz DZOWLAADHPINGC-KRWDZBQOSA-N 0 3 318.461 2.401 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2csc(C(C)(C)C)n2)CCC1 ZINC001484658361 1079713510 /nfs/dbraw/zinc/71/35/10/1079713510.db2.gz ZRLGVGWZZBREJX-UHFFFAOYSA-N 0 3 319.474 2.245 20 30 DEEDHN C=CCC1(C(=O)N2CCO[C@H](CNCC#CC)C2)CCCCC1 ZINC001484699921 1079727691 /nfs/dbraw/zinc/72/76/91/1079727691.db2.gz IKAFMFFZIFERMK-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCCN[C@H](CNC(=O)Cc1cncs1)c1ccccc1 ZINC001481366302 1079760498 /nfs/dbraw/zinc/76/04/98/1079760498.db2.gz WTDGQBVVINPLNE-MRXNPFEDSA-N 0 3 313.426 2.156 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2cncc(C)c2)C1 ZINC001481402639 1079790047 /nfs/dbraw/zinc/79/00/47/1079790047.db2.gz AVBFBORKPBOSRX-GOSISDBHSA-N 0 3 313.445 2.269 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cnn3ccccc23)C1 ZINC001481405760 1079793172 /nfs/dbraw/zinc/79/31/72/1079793172.db2.gz CCUODHCBCCTOTK-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001484767772 1079793286 /nfs/dbraw/zinc/79/32/86/1079793286.db2.gz QXFPGIIZLBYFOD-GOSISDBHSA-N 0 3 314.429 2.020 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc3n(c2)CCCC3)C(C)(C)C1 ZINC000977676395 1079799402 /nfs/dbraw/zinc/79/94/02/1079799402.db2.gz XZWNSUUKHWZZOV-KRWDZBQOSA-N 0 3 313.445 2.288 20 30 DEEDHN CC/C=C(/C)C(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001484826226 1079807211 /nfs/dbraw/zinc/80/72/11/1079807211.db2.gz XPEMKIJTPCMYJU-OGHDXOPJSA-N 0 3 318.461 2.307 20 30 DEEDHN C=CCN(C)CCN(CC)c1ncnc(F)c1Br ZINC001651989839 1079845049 /nfs/dbraw/zinc/84/50/49/1079845049.db2.gz WBWRTLZESNGMRZ-UHFFFAOYSA-N 0 3 317.206 2.322 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccncc2)C[C@@H]1NCC#Cc1ccccc1 ZINC001484878096 1079834712 /nfs/dbraw/zinc/83/47/12/1079834712.db2.gz OFYWRDXSEACFCM-APWZRJJASA-N 0 3 319.408 2.183 20 30 DEEDHN C=CCCC(=O)N1CCC(O)(CNCc2ccccc2F)CC1 ZINC001484950340 1079874979 /nfs/dbraw/zinc/87/49/79/1079874979.db2.gz XROGXXKQTJYCHK-UHFFFAOYSA-N 0 3 320.408 2.235 20 30 DEEDHN CCOCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001484969268 1079886456 /nfs/dbraw/zinc/88/64/56/1079886456.db2.gz UDSWSAPYISWXCZ-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)CC2CCCC2)c1 ZINC001653225230 1079918905 /nfs/dbraw/zinc/91/89/05/1079918905.db2.gz AJMLRHNNBHXAKJ-UHFFFAOYSA-N 0 3 313.401 2.438 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001485018789 1079919868 /nfs/dbraw/zinc/91/98/68/1079919868.db2.gz VJEJFYVDTSFQDO-MRXNPFEDSA-N 0 3 320.477 2.476 20 30 DEEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001653285790 1079924660 /nfs/dbraw/zinc/92/46/60/1079924660.db2.gz WPLNKGUZHQRFCP-AWEZNQCLSA-N 0 3 309.325 2.429 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)CC(F)(F)F)CC2 ZINC001268044632 1079926826 /nfs/dbraw/zinc/92/68/26/1079926826.db2.gz XTVHYESCHYWNIR-UHFFFAOYSA-N 0 3 320.355 2.066 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H](C)OC ZINC001485043048 1079927065 /nfs/dbraw/zinc/92/70/65/1079927065.db2.gz DZHBDMBODPQTTA-POZUXBRTSA-N 0 3 314.429 2.197 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1ccc(OC)nc1 ZINC001485065302 1079943118 /nfs/dbraw/zinc/94/31/18/1079943118.db2.gz PREBFQZSXTZJNE-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1(c2cc(C)no2)CC1 ZINC001485067919 1079943921 /nfs/dbraw/zinc/94/39/21/1079943921.db2.gz XKFVWAHZGXDBMT-AWEZNQCLSA-N 0 3 303.406 2.123 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)CCc1csc(C)n1 ZINC001485071414 1079956285 /nfs/dbraw/zinc/95/62/85/1079956285.db2.gz PEDADICJDWJYFX-OAHLLOKOSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCN(C)CCN(CC)c1nc(Cl)nc2c1ncn2CC ZINC001655611994 1080009198 /nfs/dbraw/zinc/00/91/98/1080009198.db2.gz GFHFZTHTEPCUID-UHFFFAOYSA-N 0 3 322.844 2.444 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)NCc2ncccc2C)c1 ZINC001485191694 1080057444 /nfs/dbraw/zinc/05/74/44/1080057444.db2.gz RLCSXQZHSJOFTE-GJZGRUSLSA-N 0 3 322.412 2.063 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1sccc1C1CC1 ZINC001268096940 1080069426 /nfs/dbraw/zinc/06/94/26/1080069426.db2.gz WPZTYPLZPNJHLW-CYBMUJFWSA-N 0 3 320.458 2.325 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001656780024 1080123224 /nfs/dbraw/zinc/12/32/24/1080123224.db2.gz NQNSFRNCMGIVSQ-JKSUJKDBSA-N 0 3 308.466 2.284 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]([C@H](C)NCc2cnns2)C1 ZINC001268173092 1080162205 /nfs/dbraw/zinc/16/22/05/1080162205.db2.gz CUIDFMAWXWPQJM-UONOGXRCSA-N 0 3 320.462 2.058 20 30 DEEDHN C#Cc1ccc(CNCc2ccc(N3CCNC3=O)cc2)cc1 ZINC001657884646 1080188039 /nfs/dbraw/zinc/18/80/39/1080188039.db2.gz OBFSOSOBQRNYON-UHFFFAOYSA-N 0 3 305.381 2.487 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](N[C@@H](C)c2n[nH]c(C)n2)C(C)C)C1 ZINC001268215899 1080201049 /nfs/dbraw/zinc/20/10/49/1080201049.db2.gz CQOYBEAEUJVMAD-JSGCOSHPSA-N 0 3 319.453 2.261 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cncn2C)CCCCC1 ZINC001485456000 1080216725 /nfs/dbraw/zinc/21/67/25/1080216725.db2.gz DPGYYJBSBGEKKL-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001268260714 1080237632 /nfs/dbraw/zinc/23/76/32/1080237632.db2.gz YFTGLCGKVXGPAM-UHFFFAOYSA-N 0 3 302.340 2.133 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ncccn2)cc1 ZINC001272700006 1080258338 /nfs/dbraw/zinc/25/83/38/1080258338.db2.gz FNJLBMJIVJGTQA-AWEZNQCLSA-N 0 3 308.385 2.081 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCC[C@H]1CNCc1cscn1 ZINC001268279488 1080259497 /nfs/dbraw/zinc/25/94/97/1080259497.db2.gz XEAMPXNQNWTQEZ-DZGCQCFKSA-N 0 3 305.447 2.177 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001485513013 1080262038 /nfs/dbraw/zinc/26/20/38/1080262038.db2.gz ULZOQFHDOZKRCG-CQSZACIVSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2cccc3cccnc32)C1 ZINC001485516946 1080275907 /nfs/dbraw/zinc/27/59/07/1080275907.db2.gz ITFSGXRLTSTSJC-OAHLLOKOSA-N 0 3 321.424 2.237 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001485520023 1080276670 /nfs/dbraw/zinc/27/66/70/1080276670.db2.gz YOWUGHCWRZAZOP-LSDHHAIUSA-N 0 3 304.438 2.155 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)cn1 ZINC001481675466 1080285846 /nfs/dbraw/zinc/28/58/46/1080285846.db2.gz ORMDHXUPZQZRKC-GJZGRUSLSA-N 0 3 302.422 2.329 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001485552630 1080293631 /nfs/dbraw/zinc/29/36/31/1080293631.db2.gz HXXCFPZMICHQIP-QAPCUYQASA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC001481697196 1080310174 /nfs/dbraw/zinc/31/01/74/1080310174.db2.gz KYOAECTZBVJSEM-IRXDYDNUSA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC001485577820 1080310717 /nfs/dbraw/zinc/31/07/17/1080310717.db2.gz PEIGIWCTNTUSLW-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(C[C@H](OC)c2ccccc2)C1 ZINC001481701342 1080319107 /nfs/dbraw/zinc/31/91/07/1080319107.db2.gz OPNADBLIVXDTDM-MSOLQXFVSA-N 0 3 314.429 2.368 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCOc2c(C)cccc2C)C1 ZINC001481702149 1080321169 /nfs/dbraw/zinc/32/11/69/1080321169.db2.gz ALNHTWSFJLYXBK-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001268365600 1080376176 /nfs/dbraw/zinc/37/61/76/1080376176.db2.gz GVUWSELYIQRVKE-GFCCVEGCSA-N 0 3 301.394 2.022 20 30 DEEDHN C#CCOCCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481729454 1080396964 /nfs/dbraw/zinc/39/69/64/1080396964.db2.gz VNINKXZXJNYRJV-GOSISDBHSA-N 0 3 314.429 2.068 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(N(C)Cc2cncn2C)CC1 ZINC001485762200 1080418109 /nfs/dbraw/zinc/41/81/09/1080418109.db2.gz OVNHUAMZAFRJHG-HNNXBMFYSA-N 0 3 318.465 2.445 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1csc2ccccc12 ZINC001485775080 1080426636 /nfs/dbraw/zinc/42/66/36/1080426636.db2.gz USZLPZLQEMEJMQ-UHFFFAOYSA-N 0 3 316.426 2.213 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nn(C)c2c1CCCC2 ZINC001268402061 1080427506 /nfs/dbraw/zinc/42/75/06/1080427506.db2.gz POYGXLUIBGEREX-GFCCVEGCSA-N 0 3 324.856 2.149 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001661049942 1080434515 /nfs/dbraw/zinc/43/45/15/1080434515.db2.gz WSAKGIAMSATBBS-AEFFLSMTSA-N 0 3 314.429 2.457 20 30 DEEDHN CC(C)[C@H](C(=O)NCc1ccc([C@@H](C)NCC#N)cc1)N(C)C ZINC001272700963 1080441690 /nfs/dbraw/zinc/44/16/90/1080441690.db2.gz RJVHKQGEXDEXDR-RHSMWYFYSA-N 0 3 316.449 2.063 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001481757233 1080448745 /nfs/dbraw/zinc/44/87/45/1080448745.db2.gz QLVKVRHLGYMUKQ-HNNXBMFYSA-N 0 3 308.447 2.487 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1OC ZINC001212348791 1080466548 /nfs/dbraw/zinc/46/65/48/1080466548.db2.gz AIMCJOYQEDSGPR-ZIAGYGMSSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@H](NC/C=C\Cl)C1)OCC ZINC001661314728 1080469226 /nfs/dbraw/zinc/46/92/26/1080469226.db2.gz KIZPBNCTTYPPBU-XVMAMZMSSA-N 0 3 300.830 2.301 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cnc(C)cn2)C1 ZINC001661467923 1080484669 /nfs/dbraw/zinc/48/46/69/1080484669.db2.gz XXWAJPFVFFCGHD-KKUMJFAQSA-N 0 3 302.422 2.439 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768481 1080485140 /nfs/dbraw/zinc/48/51/40/1080485140.db2.gz PHKPKSVTGATNDZ-ZIAGYGMSSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768481 1080485144 /nfs/dbraw/zinc/48/51/44/1080485144.db2.gz PHKPKSVTGATNDZ-ZIAGYGMSSA-N 0 3 318.421 2.073 20 30 DEEDHN C[C@H](C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C(F)(F)F ZINC001661636614 1080502413 /nfs/dbraw/zinc/50/24/13/1080502413.db2.gz SXXNIXNYJCNRGF-YUELXQCFSA-N 0 3 324.346 2.473 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001661747484 1080516177 /nfs/dbraw/zinc/51/61/77/1080516177.db2.gz AGCZROLGSNEGTI-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](OC)C(C)C)NCc1ccc(C#N)s1 ZINC001481847379 1080545772 /nfs/dbraw/zinc/54/57/72/1080545772.db2.gz DCLLFAOOOHFDKG-WFASDCNBSA-N 0 3 323.462 2.275 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccn(C)c1C)NCC#Cc1ccccc1 ZINC001481847931 1080547819 /nfs/dbraw/zinc/54/78/19/1080547819.db2.gz VRGMJAAORNUFCK-SFHVURJKSA-N 0 3 323.440 2.483 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001661989416 1080557595 /nfs/dbraw/zinc/55/75/95/1080557595.db2.gz NFNRHIAAUPCBMR-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(CC)CC)C1 ZINC001662500074 1080612349 /nfs/dbraw/zinc/61/23/49/1080612349.db2.gz IQNLMQSBWQIRPF-HOCLYGCPSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001662758718 1080649942 /nfs/dbraw/zinc/64/99/42/1080649942.db2.gz KEHYIROVGUPYKT-OLZOCXBDSA-N 0 3 313.405 2.165 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cnc(CC(C)(C)C)s1 ZINC001663312784 1080730482 /nfs/dbraw/zinc/73/04/82/1080730482.db2.gz GIPOKGAJPQUFCB-UHFFFAOYSA-N 0 3 307.463 2.417 20 30 DEEDHN Cc1nocc1CN1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001107336472 1080734866 /nfs/dbraw/zinc/73/48/66/1080734866.db2.gz MDHGNZUTSYGBEX-SRCQZFHVSA-N 0 3 316.405 2.004 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001663543222 1080771670 /nfs/dbraw/zinc/77/16/70/1080771670.db2.gz TXOSOGBVOBIDJO-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN(Cc2ccccn2)C1 ZINC001663566696 1080776043 /nfs/dbraw/zinc/77/60/43/1080776043.db2.gz LELHTNCUAMDDQG-JKSUJKDBSA-N 0 3 317.433 2.001 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)CC(F)(F)F ZINC001482082989 1080789261 /nfs/dbraw/zinc/78/92/61/1080789261.db2.gz ALNPOUIAEKCQFV-NSHDSACASA-N 0 3 313.323 2.353 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@@H]1CC1(F)F ZINC001482099632 1080801981 /nfs/dbraw/zinc/80/19/81/1080801981.db2.gz UJHOLODSPIIUJV-RISCZKNCSA-N 0 3 307.344 2.055 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001663676070 1080802169 /nfs/dbraw/zinc/80/21/69/1080802169.db2.gz AZHYRVALSSPKML-UHFFFAOYSA-N 0 3 313.401 2.252 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1CCOc2ccccc21 ZINC001663688846 1080803900 /nfs/dbraw/zinc/80/39/00/1080803900.db2.gz UHOOQUOXGRZJLY-QGZVFWFLSA-N 0 3 314.429 2.404 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CC1(C)C ZINC001268642052 1080913003 /nfs/dbraw/zinc/91/30/03/1080913003.db2.gz IEYWFRXUURRDES-CJNGLKHVSA-N 0 3 302.393 2.318 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2cccnc2C)C1 ZINC001664678207 1080941452 /nfs/dbraw/zinc/94/14/52/1080941452.db2.gz LUJZJHUKDHMTTP-GOSISDBHSA-N 0 3 313.445 2.269 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2cc(CO)ccc2F)C1 ZINC001268703096 1080942015 /nfs/dbraw/zinc/94/20/15/1080942015.db2.gz JQFBZGJNOWDMQE-ZDUSSCGKSA-N 0 3 320.408 2.269 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1ccc(C)cc1 ZINC001268728585 1080955305 /nfs/dbraw/zinc/95/53/05/1080955305.db2.gz GLXAVJOOJKXGJW-QAPCUYQASA-N 0 3 304.434 2.259 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)CCOc1cccc(F)c1 ZINC001268730191 1080956275 /nfs/dbraw/zinc/95/62/75/1080956275.db2.gz MOAZRUFJSHGRLP-HNNXBMFYSA-N 0 3 320.408 2.300 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN1CCN(CC[C@@H](C)F)CC1 ZINC001664777962 1080959411 /nfs/dbraw/zinc/95/94/11/1080959411.db2.gz UEHPUGMVYIMZCV-OAHLLOKOSA-N 0 3 313.461 2.023 20 30 DEEDHN CCCCCCCN1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001665019420 1080983670 /nfs/dbraw/zinc/98/36/70/1080983670.db2.gz WAIDAJWNNVMIDG-MRXNPFEDSA-N 0 3 323.481 2.064 20 30 DEEDHN C=C[C@@H](C(=O)NCC1CN(CCC[C@@H](C)O)C1)c1ccccc1 ZINC001665362720 1081017830 /nfs/dbraw/zinc/01/78/30/1081017830.db2.gz JWFJMOCINOSEMD-CRAIPNDOSA-N 0 3 316.445 2.165 20 30 DEEDHN CCC#CC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001268951337 1081055552 /nfs/dbraw/zinc/05/55/52/1081055552.db2.gz MLDFYZCWBAMUND-STQMWFEESA-N 0 3 302.340 2.418 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001665641877 1081056045 /nfs/dbraw/zinc/05/60/45/1081056045.db2.gz JABYPIDPJTUOEC-UPTPFMHGSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](OC)C1CCC1 ZINC001268964454 1081061595 /nfs/dbraw/zinc/06/15/95/1081061595.db2.gz ASULATCEMFHIHL-YESZJQIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCOc2cccc(C)c2)C1 ZINC001665686053 1081062434 /nfs/dbraw/zinc/06/24/34/1081062434.db2.gz CXOLFTZPYWHNQU-MRXNPFEDSA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1CC ZINC001268965810 1081062828 /nfs/dbraw/zinc/06/28/28/1081062828.db2.gz WTKUDYIHDCUVPO-RDBSUJKOSA-N 0 3 303.406 2.490 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C ZINC001268974372 1081070039 /nfs/dbraw/zinc/07/00/39/1081070039.db2.gz SOKNSNZQMUQPIQ-BPUTZDHNSA-N 0 3 316.449 2.465 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCC(=O)NC(C)C)C1 ZINC001665736021 1081072671 /nfs/dbraw/zinc/07/26/71/1081072671.db2.gz APAMGMGTXFHOHD-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)[C@H]1CC1(F)F ZINC001269066325 1081106045 /nfs/dbraw/zinc/10/60/45/1081106045.db2.gz CRIMRXGAPXAGBX-CVEARBPZSA-N 0 3 318.367 2.178 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)CNCc1cc2n(n1)CCCC2 ZINC001666519044 1081157581 /nfs/dbraw/zinc/15/75/81/1081157581.db2.gz AVPLBXURZTYFGK-CQSZACIVSA-N 0 3 304.438 2.028 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)CCc2cccs2)C1 ZINC001269193580 1081158608 /nfs/dbraw/zinc/15/86/08/1081158608.db2.gz NESQEPRSEIXCTO-CQSZACIVSA-N 0 3 308.447 2.074 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001269236082 1081179418 /nfs/dbraw/zinc/17/94/18/1081179418.db2.gz VIQRCPQHKQABET-MRXNPFEDSA-N 0 3 316.449 2.454 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C(C1CCC1)C1CCC1 ZINC001666976329 1081199358 /nfs/dbraw/zinc/19/93/58/1081199358.db2.gz BMOQOMUGBNSOKR-OAHLLOKOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc3n(n2)CCC3)[C@H](C)C1 ZINC001667165160 1081218159 /nfs/dbraw/zinc/21/81/59/1081218159.db2.gz YMALIADDRMBHKR-RHSMWYFYSA-N 0 3 316.449 2.122 20 30 DEEDHN Cc1nocc1CNCC[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001667237797 1081228706 /nfs/dbraw/zinc/22/87/06/1081228706.db2.gz FNNWXUXPFLSCEO-DOMZBBRYSA-N 0 3 304.394 2.004 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2ccc(OC)nc2)C1 ZINC001269466062 1081255080 /nfs/dbraw/zinc/25/50/80/1081255080.db2.gz CYOGQGJQBCZBOZ-HNNXBMFYSA-N 0 3 317.433 2.431 20 30 DEEDHN C#CCOCCC(=O)N(C)CCN(C)[C@H](C)c1cccc(F)c1 ZINC001667566346 1081265136 /nfs/dbraw/zinc/26/51/36/1081265136.db2.gz QAYTZRDQWVYQLV-OAHLLOKOSA-N 0 3 320.408 2.317 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCOC[C@@H]2C)CCCC1 ZINC001482229827 1081282453 /nfs/dbraw/zinc/28/24/53/1081282453.db2.gz MFTQWTDMRMEIPD-JSGCOSHPSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCN(C)CCN(C(=O)Cc1c(C)nn(CC)c1C)C(C)C ZINC001284553500 1081295191 /nfs/dbraw/zinc/29/51/91/1081295191.db2.gz NPMUAAWOJMEHMZ-UHFFFAOYSA-N 0 3 320.481 2.417 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001269589524 1081298791 /nfs/dbraw/zinc/29/87/91/1081298791.db2.gz JGJACYKQTNECOC-SJORKVTESA-N 0 3 304.434 2.365 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@]2(CNCCF)CCCC[C@H]2C)nc1 ZINC001269676030 1081330062 /nfs/dbraw/zinc/33/00/62/1081330062.db2.gz FCFYJLHSXLTVAM-RDTXWAMCSA-N 0 3 317.408 2.301 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 ZINC001269689741 1081334285 /nfs/dbraw/zinc/33/42/85/1081334285.db2.gz PAXXVUYZSBQLES-AWEZNQCLSA-N 0 3 322.840 2.369 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001269737989 1081351015 /nfs/dbraw/zinc/35/10/15/1081351015.db2.gz XMLIGLPWYIPTLV-IBGZPJMESA-N 0 3 318.461 2.163 20 30 DEEDHN C=CCCCC(=O)N1CCC2(CN(CCOCC=C)C2)CC1 ZINC001482243424 1081369288 /nfs/dbraw/zinc/36/92/88/1081369288.db2.gz NEIVXCAATJDWIU-UHFFFAOYSA-N 0 3 306.450 2.470 20 30 DEEDHN COc1ccc(CNC/C=C\CNC(=O)C#CC2CC2)cc1F ZINC001668814944 1081400837 /nfs/dbraw/zinc/40/08/37/1081400837.db2.gz HALRRYWTTPUTOT-IHWYPQMZSA-N 0 3 316.376 2.010 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C/CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001668848708 1081403738 /nfs/dbraw/zinc/40/37/38/1081403738.db2.gz YPEOMTKULSFJBV-LQYUOIDQSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CCCCN1C ZINC001668990262 1081417071 /nfs/dbraw/zinc/41/70/71/1081417071.db2.gz BNKYSSVZCSFMAU-CQSZACIVSA-N 0 3 319.380 2.444 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1ccc(F)c(Cl)c1 ZINC001669057830 1081423986 /nfs/dbraw/zinc/42/39/86/1081423986.db2.gz OWNWXNKDULVSKR-SNAWJCMRSA-N 0 3 308.784 2.307 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]1CNCc1ccc(Cl)nc1 ZINC001270023441 1081430835 /nfs/dbraw/zinc/43/08/35/1081430835.db2.gz ZOTCFVARSRGQEI-AWEZNQCLSA-N 0 3 323.824 2.018 20 30 DEEDHN C=C(Br)CNCC[C@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC001280150778 1081438359 /nfs/dbraw/zinc/43/83/59/1081438359.db2.gz DBYZREVOUBDQHK-NWDGAFQWSA-N 0 3 321.234 2.471 20 30 DEEDHN Cc1nocc1CN1CCC(CCNC(=O)C#CC(C)C)CC1 ZINC001270111344 1081452600 /nfs/dbraw/zinc/45/26/00/1081452600.db2.gz NQPBEJHLMNDUBV-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(N(C)C)ccn2)CC1 ZINC001006466607 1081453818 /nfs/dbraw/zinc/45/38/18/1081453818.db2.gz SUPZLNKWBOZFQW-UHFFFAOYSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)C1(C)CC(F)(F)C1 ZINC001669911595 1081479034 /nfs/dbraw/zinc/47/90/34/1081479034.db2.gz WYVLQZHSTVNKKF-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)c1ccncc1 ZINC001669995659 1081487787 /nfs/dbraw/zinc/48/77/87/1081487787.db2.gz VQDRKYZNKVSRQS-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN CCn1ccnc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482276551 1081492392 /nfs/dbraw/zinc/49/23/92/1081492392.db2.gz BHTXOJCGAXBFGO-INIZCTEOSA-N 0 3 324.428 2.005 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001671351206 1081514566 /nfs/dbraw/zinc/51/45/66/1081514566.db2.gz JPEQEPNHUYEQNE-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN C#CCN(C(=O)CC(C)(C)C1CC1)C1CCN(CCOC)CC1 ZINC001671474605 1081518655 /nfs/dbraw/zinc/51/86/55/1081518655.db2.gz XRLGIINOFRKQLB-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@](C)(CNCc2nccnc2C)C1 ZINC001671769986 1081537567 /nfs/dbraw/zinc/53/75/67/1081537567.db2.gz YUYQWFBWJXJAPV-GOSISDBHSA-N 0 3 316.449 2.325 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001270501708 1081539063 /nfs/dbraw/zinc/53/90/63/1081539063.db2.gz ODCSDYPDOJYTHC-LBPRGKRZSA-N 0 3 317.355 2.413 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cnn(C)c1)C2 ZINC001672161717 1081563277 /nfs/dbraw/zinc/56/32/77/1081563277.db2.gz UZKVYLODVDUTLF-BPUTZDHNSA-N 0 3 316.449 2.101 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2ccn(C)n2)C1 ZINC001672227216 1081569041 /nfs/dbraw/zinc/56/90/41/1081569041.db2.gz AQBSVPLMLROLOL-GJZGRUSLSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001672280106 1081577515 /nfs/dbraw/zinc/57/75/15/1081577515.db2.gz PRDWWFORGFUISH-CABCVRRESA-N 0 3 318.465 2.207 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc3ccc(C)nc32)CC1 ZINC001670802744 1081584517 /nfs/dbraw/zinc/58/45/17/1081584517.db2.gz QGAARNIMPQPVQD-UHFFFAOYSA-N 0 3 307.397 2.419 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2cccc3nsnc32)C1 ZINC001270665808 1081591457 /nfs/dbraw/zinc/59/14/57/1081591457.db2.gz RZGFZNFRYGPGDX-INIZCTEOSA-N 0 3 316.430 2.000 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CCNCc2oc(C)nc2C)C1 ZINC001672777170 1081625399 /nfs/dbraw/zinc/62/53/99/1081625399.db2.gz CWBPEFPHJNNJLT-INIZCTEOSA-N 0 3 317.433 2.423 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC001672834081 1081709310 /nfs/dbraw/zinc/70/93/10/1081709310.db2.gz IEEBPASPXBPUSP-ZFWWWQNUSA-N 0 3 314.857 2.382 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@]2(F)CCOC2)cc1 ZINC001672943190 1081724411 /nfs/dbraw/zinc/72/44/11/1081724411.db2.gz JDKOEVGNKDFXAN-RDTXWAMCSA-N 0 3 318.392 2.105 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C[C@H]2CCOC2)cc1 ZINC001672938964 1081724756 /nfs/dbraw/zinc/72/47/56/1081724756.db2.gz ZSIBQJRXBZPYDI-GDBMZVCRSA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)COCCC)cccc2C1 ZINC001673074850 1081737941 /nfs/dbraw/zinc/73/79/41/1081737941.db2.gz CHQJAFSGFYDMND-UHFFFAOYSA-N 0 3 314.429 2.111 20 30 DEEDHN C=CC1(CC(=O)N(C)[C@@H](C)CN[C@@H](CC)C(N)=O)CCCCC1 ZINC001482343440 1081741050 /nfs/dbraw/zinc/74/10/50/1081741050.db2.gz LCCREOIZOQRMMU-GJZGRUSLSA-N 0 3 323.481 2.213 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@H](C)c2ccccc2OC)CCC1 ZINC001673229911 1081747785 /nfs/dbraw/zinc/74/77/85/1081747785.db2.gz DICGSPAFOSOOBU-HNNXBMFYSA-N 0 3 314.429 2.451 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2cnccc2C)CC1 ZINC001673363042 1081758506 /nfs/dbraw/zinc/75/85/06/1081758506.db2.gz NNAUTXRMUJMTDT-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001673376851 1081763276 /nfs/dbraw/zinc/76/32/76/1081763276.db2.gz 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C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001266307596 1081962302 /nfs/dbraw/zinc/96/23/02/1081962302.db2.gz HHGQYAOUXSYHOU-FUHWJXTLSA-N 0 3 316.445 2.401 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001266336686 1081980709 /nfs/dbraw/zinc/98/07/09/1081980709.db2.gz UKFWLRVPMNAXOK-HOCLYGCPSA-N 0 3 300.418 2.276 20 30 DEEDHN Cc1nc(CN[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]2C)c(C)o1 ZINC001271394409 1082028334 /nfs/dbraw/zinc/02/83/34/1082028334.db2.gz JJVALIBGSNGNAV-BBRMVZONSA-N 0 3 317.433 2.277 20 30 DEEDHN Cc1ccccc1CN1CCC[C@@H]1CNC(=O)CSCC#N ZINC001266446343 1082042243 /nfs/dbraw/zinc/04/22/43/1082042243.db2.gz DGYVXILTKATVHL-MRXNPFEDSA-N 0 3 317.458 2.332 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CN(C)Cc2cnc(C)nc2)C1 ZINC001266451557 1082045705 /nfs/dbraw/zinc/04/57/05/1082045705.db2.gz DYIVKKMJBGUZTG-INIZCTEOSA-N 0 3 316.449 2.422 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(C)c(OC)c1 ZINC001266471163 1082060448 /nfs/dbraw/zinc/06/04/48/1082060448.db2.gz 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CC#CCN1CC[C@H](CNC(=O)Cc2ccccc2Cl)C1 ZINC001266548943 1082143910 /nfs/dbraw/zinc/14/39/10/1082143910.db2.gz KOEUXJFZQJQKKX-CQSZACIVSA-N 0 3 304.821 2.344 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CCc2cc(F)ccc2F)C1 ZINC001266551579 1082147668 /nfs/dbraw/zinc/14/76/68/1082147668.db2.gz VPFHOJDFJVMUJC-CQSZACIVSA-N 0 3 320.383 2.359 20 30 DEEDHN C=CCCC[NH2+]C[C@@H](NC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001670475412 1082149381 /nfs/dbraw/zinc/14/93/81/1082149381.db2.gz QQCPMSKWWANQSI-OAHLLOKOSA-N 0 3 313.405 2.022 20 30 DEEDHN CCCN(CCNC(=O)C#CC(C)C)CCc1ccns1 ZINC001266560549 1082159079 /nfs/dbraw/zinc/15/90/79/1082159079.db2.gz REHONCHZNMFLML-UHFFFAOYSA-N 0 3 307.463 2.173 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](NCc1ccccc1F)C(C)C ZINC001482529270 1082161200 /nfs/dbraw/zinc/16/12/00/1082161200.db2.gz CMZNQGFISZRGBN-PBHICJAKSA-N 0 3 320.408 2.094 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccnc2ccncc21 ZINC001266566547 1082164056 /nfs/dbraw/zinc/16/40/56/1082164056.db2.gz HBMMOTWTBONARD-UHFFFAOYSA-N 0 3 310.401 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/nfs/dbraw/zinc/58/41/19/1082584119.db2.gz QSTLCLIPHGRDIE-UHFFFAOYSA-N 0 3 302.418 2.406 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC001482969935 1082586437 /nfs/dbraw/zinc/58/64/37/1082586437.db2.gz NBWXGFPGYNCMFL-HNNXBMFYSA-N 0 3 302.418 2.260 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cnn(CC2CCCC2)c1 ZINC001272145049 1082604256 /nfs/dbraw/zinc/60/42/56/1082604256.db2.gz HFIBALAKYBTGJX-UHFFFAOYSA-N 0 3 304.438 2.263 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001483027672 1082632194 /nfs/dbraw/zinc/63/21/94/1082632194.db2.gz HIERGDBYDKNZQD-XHPSBEMXSA-N 0 3 314.433 2.061 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(F)c2ncccc2c1 ZINC001483070922 1082690110 /nfs/dbraw/zinc/69/01/10/1082690110.db2.gz IQGVOOAAMWXRSI-SNAWJCMRSA-N 0 3 311.360 2.273 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ccn(CC)n1 ZINC001272244455 1082750164 /nfs/dbraw/zinc/75/01/64/1082750164.db2.gz QOPNVLJRQDEYEU-ZBFHGGJFSA-N 0 3 304.438 2.244 20 30 DEEDHN C[C@H](CN(C)Cc1ccc2c(c1)COC2)NC(=O)C#CC1CC1 ZINC001483336592 1083113418 /nfs/dbraw/zinc/11/34/18/1083113418.db2.gz QUGYCBLCBBREAQ-CQSZACIVSA-N 0 3 312.413 2.067 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)C[C@H]2C=CCCC2)C1 ZINC001276397777 1083377098 /nfs/dbraw/zinc/37/70/98/1083377098.db2.gz SJTBIDSCKPHIGE-CVEARBPZSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CC[C@H](C(=O)N[C@H](C)C1CN(CCOC)C1)c1ccccc1 ZINC001276462189 1083451211 /nfs/dbraw/zinc/45/12/11/1083451211.db2.gz YDZZYTOOMDHLJH-QAPCUYQASA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2ccc(OC)nc2)C(C)(C)C1 ZINC001276594500 1083504989 /nfs/dbraw/zinc/50/49/89/1083504989.db2.gz ZAMHJLAZQTWRCF-OAHLLOKOSA-N 0 3 317.433 2.035 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)CN(C)CCC)CC1 ZINC001077665081 1083634074 /nfs/dbraw/zinc/63/40/74/1083634074.db2.gz DCCVGZTXIFZVSZ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736562 1083651860 /nfs/dbraw/zinc/65/18/60/1083651860.db2.gz YPZQZXAFIUPDRO-YOEHRIQHSA-N 0 3 306.406 2.455 20 30 DEEDHN C#CCCCN1CC2(C1)SCC[C@@H]2C(=O)N(CC)C(C)C ZINC001276979275 1083714935 /nfs/dbraw/zinc/71/49/35/1083714935.db2.gz DOMDASYWRKJIDA-OAHLLOKOSA-N 0 3 308.491 2.464 20 30 DEEDHN CCCCCCCN1CC[C@H]2C[C@]21C(=O)N1CC2(CC(O)C2)C1 ZINC001277226142 1083855193 /nfs/dbraw/zinc/85/51/93/1083855193.db2.gz RFMXQSVDHUHTKB-HNAYVOBHSA-N 0 3 320.477 2.405 20 30 DEEDHN CCc1cc(C#N)ccc1CN1CCC[C@]2(CN(C)CCO2)C1 ZINC001277233207 1083859235 /nfs/dbraw/zinc/85/92/35/1083859235.db2.gz KCYBVXYSGRKYFQ-IBGZPJMESA-N 0 3 313.445 2.417 20 30 DEEDHN C#CCCCC(=O)NC[C@]1(C)CN(CC2CCCC2)CCO1 ZINC001107903570 1083864284 /nfs/dbraw/zinc/86/42/84/1083864284.db2.gz WCOYLGGEOFFUSC-GOSISDBHSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107910531 1083871354 /nfs/dbraw/zinc/87/13/54/1083871354.db2.gz IGIVHDRVUGNCAR-YJBOKZPZSA-N 0 3 319.449 2.499 20 30 DEEDHN CN1CCO[C@@]2(CCCN(Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454483 1083979785 /nfs/dbraw/zinc/97/97/85/1083979785.db2.gz SZWKTMUSAKURKU-IBGZPJMESA-N 0 3 324.428 2.336 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C)c1[O-] ZINC001277463342 1083985245 /nfs/dbraw/zinc/98/52/45/1083985245.db2.gz JKQQXWTYDOIJGD-QAPCUYQASA-N 0 3 300.402 2.173 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C)c1[O-] ZINC001277463342 1083985253 /nfs/dbraw/zinc/98/52/53/1083985253.db2.gz JKQQXWTYDOIJGD-QAPCUYQASA-N 0 3 300.402 2.173 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)CSCCC)C2)CC1 ZINC001277482498 1083997569 /nfs/dbraw/zinc/99/75/69/1083997569.db2.gz IADUVTKBBHRILR-UHFFFAOYSA-N 0 3 308.491 2.467 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001491048533 1084029981 /nfs/dbraw/zinc/02/99/81/1084029981.db2.gz UKPFFJTWKCMEQV-UPJWGTAASA-N 0 3 305.426 2.021 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001495572349 1084048314 /nfs/dbraw/zinc/04/83/14/1084048314.db2.gz KRTJTUCMISUHNM-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1 ZINC001649074221 1084087406 /nfs/dbraw/zinc/08/74/06/1084087406.db2.gz IOYCUOCYVPVIAM-CQSZACIVSA-N 0 3 321.808 2.468 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001491141455 1084107187 /nfs/dbraw/zinc/10/71/87/1084107187.db2.gz HLLZEZRHPSCBFV-ZIAGYGMSSA-N 0 3 319.453 2.223 20 30 DEEDHN Cc1nc(C)c(CNC[C@@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001491151414 1084110952 /nfs/dbraw/zinc/11/09/52/1084110952.db2.gz IGVIVJINWFFYEA-INIZCTEOSA-N 0 3 317.433 2.279 20 30 DEEDHN Cc1cc(CN[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H](C)C2)on1 ZINC001277740025 1084122698 /nfs/dbraw/zinc/12/26/98/1084122698.db2.gz MISSNBCBFKBWJV-LSDHHAIUSA-N 0 3 303.406 2.112 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001281627363 1084153797 /nfs/dbraw/zinc/15/37/97/1084153797.db2.gz OGHUHWYFNKLXCT-UHFFFAOYSA-N 0 3 312.841 2.038 20 30 DEEDHN Cc1ccc(CN[C@H](C)CN(C)C(=O)C#CC(C)C)c(C)n1 ZINC001277808994 1084159121 /nfs/dbraw/zinc/15/91/21/1084159121.db2.gz CBLYPWCDWSVDNV-OAHLLOKOSA-N 0 3 301.434 2.294 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCc1cccc(OC)c1F ZINC001277833919 1084166316 /nfs/dbraw/zinc/16/63/16/1084166316.db2.gz ATLZMOLZTRDHSP-AWEZNQCLSA-N 0 3 320.408 2.227 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001077845224 1084280944 /nfs/dbraw/zinc/28/09/44/1084280944.db2.gz OYKONONGRABJTO-BMGDILEWSA-N 0 3 316.445 2.090 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCN(C)Cc1cccnc1C ZINC001235245071 1084358790 /nfs/dbraw/zinc/35/87/90/1084358790.db2.gz KHOPCXADYAZZBY-MRXNPFEDSA-N 0 3 319.449 2.309 20 30 DEEDHN Cc1cncc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)c1 ZINC001272841607 1084368397 /nfs/dbraw/zinc/36/83/97/1084368397.db2.gz RVBLIVFIZTUQKI-IAGOWNOFSA-N 0 3 312.417 2.259 20 30 DEEDHN C(#Cc1ccccc1)c1ccc(CN2C[C@H]3CNC[C@@H](C2)O3)s1 ZINC001235337122 1084394681 /nfs/dbraw/zinc/39/46/81/1084394681.db2.gz FYMSBMGQTNPAGI-CALCHBBNSA-N 0 3 324.449 2.321 20 30 DEEDHN N#CCCCCN1CC2(C1)CCN(C(=O)CCc1ccc[nH]1)C2 ZINC001277948803 1084445493 /nfs/dbraw/zinc/44/54/93/1084445493.db2.gz DOOQPWZNXXWCNJ-UHFFFAOYSA-N 0 3 314.433 2.175 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(O)c1)CC2 ZINC001272899020 1084448132 /nfs/dbraw/zinc/44/81/32/1084448132.db2.gz BMVMOZCVIBSYLC-INIZCTEOSA-N 0 3 300.402 2.297 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CC2(CCOCC2)C1 ZINC001089961554 1084457071 /nfs/dbraw/zinc/45/70/71/1084457071.db2.gz LPHFLDBPTKEOGB-IXDOHACOSA-N 0 3 318.461 2.206 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)[C@H](CC)OC)cccc2C1 ZINC001272910151 1084461882 /nfs/dbraw/zinc/46/18/82/1084461882.db2.gz YNPIYMKKQKBASN-SFHVURJKSA-N 0 3 314.429 2.109 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1cn(C)nc1C ZINC001277954165 1084470115 /nfs/dbraw/zinc/47/01/15/1084470115.db2.gz NESYYMNJIBQSJF-ZDUSSCGKSA-N 0 3 306.454 2.267 20 30 DEEDHN CC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC001078515806 1084710467 /nfs/dbraw/zinc/71/04/67/1084710467.db2.gz GKJXNKZVGKEKOR-CVEARBPZSA-N 0 3 301.365 2.234 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccnc2)C12CCC2 ZINC001078518045 1084731952 /nfs/dbraw/zinc/73/19/52/1084731952.db2.gz FMTFTPQGMUXTDO-KBPBESRZSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nccc(C)n2)C12CCC2 ZINC001078608711 1084766972 /nfs/dbraw/zinc/76/69/72/1084766972.db2.gz IGVUERPNAOSTEV-STQMWFEESA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnnc(C)c2)C12CCC2 ZINC001078609794 1084767735 /nfs/dbraw/zinc/76/77/35/1084767735.db2.gz ZMUODXMIEUGSMK-UONOGXRCSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2c(C)cnn2C)C12CCC2 ZINC001078704063 1084816580 /nfs/dbraw/zinc/81/65/80/1084816580.db2.gz ZXPJIYPVNTZBTE-OLZOCXBDSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C12CCC2 ZINC001078833110 1084915089 /nfs/dbraw/zinc/91/50/89/1084915089.db2.gz TWCLSYZOJVHGNZ-VXGBXAGGSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001485869161 1084943388 /nfs/dbraw/zinc/94/33/88/1084943388.db2.gz UOYAIQSZIAZXIT-CXAGYDPISA-N 0 3 308.397 2.089 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001485910673 1084975692 /nfs/dbraw/zinc/97/56/92/1084975692.db2.gz ADZJUXMIGYQNJS-HNNXBMFYSA-N 0 3 319.449 2.077 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCN(CC2CC2)CC1 ZINC001351669043 1151594337 /nfs/dbraw/zinc/59/43/37/1151594337.db2.gz LYMZAEXFIGDOTI-DZGCQCFKSA-N 0 3 301.438 2.120 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](CO)N[C@@H](C)c1cccc(Cl)c1 ZINC001485995073 1085028135 /nfs/dbraw/zinc/02/81/35/1085028135.db2.gz XWKKFSANEFFBMJ-BBRMVZONSA-N 0 3 322.836 2.127 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cccnc2)[C@H]1C ZINC001486077079 1085062143 /nfs/dbraw/zinc/06/21/43/1085062143.db2.gz ZFJIBYOKEIBRAX-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ocnc1-c1ccccc1 ZINC000960230634 1085153494 /nfs/dbraw/zinc/15/34/94/1085153494.db2.gz ZQWITRXBKOWQDF-FOLVSLTJSA-N 0 3 309.369 2.188 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H](NCCF)C(C)(C)C2)CCOCC1 ZINC001486246562 1085163406 /nfs/dbraw/zinc/16/34/06/1085163406.db2.gz NCTPDBKSPIGQFW-AWEZNQCLSA-N 0 3 312.429 2.155 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CCOCC1 ZINC000960259287 1085170118 /nfs/dbraw/zinc/17/01/18/1085170118.db2.gz POHJUWRPKVMYOC-IEBWSBKVSA-N 0 3 314.429 2.361 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCC(O)CC1 ZINC000960266017 1085172325 /nfs/dbraw/zinc/17/23/25/1085172325.db2.gz XQEKMKIODPHNAJ-LVPSWPKJSA-N 0 3 314.429 2.095 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2ccncc2)o1 ZINC000960264729 1085172854 /nfs/dbraw/zinc/17/28/54/1085172854.db2.gz IOPKDDOTKRRWFD-HALDLXJZSA-N 0 3 309.369 2.188 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cnn(CC)c1 ZINC000960325291 1085198172 /nfs/dbraw/zinc/19/81/72/1085198172.db2.gz VNWWMVNPMRCLSE-IEBWSBKVSA-N 0 3 324.428 2.003 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001486349919 1085227153 /nfs/dbraw/zinc/22/71/53/1085227153.db2.gz IDNWJBMRVIUHTP-LBPRGKRZSA-N 0 3 314.788 2.030 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)noc1C(C)C ZINC000960373029 1085238585 /nfs/dbraw/zinc/23/85/85/1085238585.db2.gz JEWHXEUDSITKAP-NHAGDIPZSA-N 0 3 303.406 2.343 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(C(F)F)ncn1)C(C)C ZINC001486369859 1085239590 /nfs/dbraw/zinc/23/95/90/1085239590.db2.gz PALVWIWDFYORSK-UHFFFAOYSA-N 0 3 324.375 2.220 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccc2c(c1)CCO2)C(C)C ZINC001486375969 1085248469 /nfs/dbraw/zinc/24/84/69/1085248469.db2.gz HFFWWSYNYZTDMR-UHFFFAOYSA-N 0 3 314.429 2.427 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(NCc2conc2C)C1 ZINC001486459822 1085329184 /nfs/dbraw/zinc/32/91/84/1085329184.db2.gz YOUNSHFJQKYJGH-UHFFFAOYSA-N 0 3 303.406 2.256 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC1(C2CCN(CC#CCOC)CC2)CC1 ZINC001486491935 1085371709 /nfs/dbraw/zinc/37/17/09/1085371709.db2.gz ZOIDMPOGIIISSG-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cccc2)cc1 ZINC000960866530 1085488065 /nfs/dbraw/zinc/48/80/65/1085488065.db2.gz ODILCBQXBIJQSI-PIIMJCKOSA-N 0 3 307.397 2.323 20 30 DEEDHN C=C(Cl)CN1CC[C@H]([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000961119697 1085591807 /nfs/dbraw/zinc/59/18/07/1085591807.db2.gz FZXCUNJGLAJBAT-KGLIPLIRSA-N 0 3 322.840 2.336 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCO[C@@H]1C)C2 ZINC000965588427 1085623133 /nfs/dbraw/zinc/62/31/33/1085623133.db2.gz IQEDUIFVNFTLBL-OFOZEMMXSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000965922001 1085694620 /nfs/dbraw/zinc/69/46/20/1085694620.db2.gz RZHVPSWCAMFEMT-OLZOCXBDSA-N 0 3 307.394 2.090 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)c1cccc(F)c1 ZINC000961751509 1085852402 /nfs/dbraw/zinc/85/24/02/1085852402.db2.gz PZEGLBAERSBFMY-ZSHCYNCHSA-N 0 3 302.393 2.336 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000961875070 1085890338 /nfs/dbraw/zinc/89/03/38/1085890338.db2.gz MVIVKQGRELTBDA-ATCWAGBWSA-N 0 3 308.784 2.254 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CCCC[C@@H]1CNCCF ZINC001273018075 1085978613 /nfs/dbraw/zinc/97/86/13/1085978613.db2.gz XVVKAADDZUIHFU-QGZVFWFLSA-N 0 3 302.393 2.151 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001273027552 1086018993 /nfs/dbraw/zinc/01/89/93/1086018993.db2.gz YQPXELYNEVISNG-AEGPPILISA-N 0 3 307.825 2.422 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2CCCc2ccc(C)o2)C1=O ZINC001273086611 1086161750 /nfs/dbraw/zinc/16/17/50/1086161750.db2.gz FUDFUCYPPWGFRO-SFHVURJKSA-N 0 3 300.402 2.221 20 30 DEEDHN C=C(Br)CNC1CC2(C1)CC(NC(=O)C1CC1)C2 ZINC000963456893 1086463009 /nfs/dbraw/zinc/46/30/09/1086463009.db2.gz PRRSTWQAJUVNTG-UHFFFAOYSA-N 0 3 313.239 2.322 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)Cc1cnc(C)o1)C2 ZINC000963941388 1086603460 /nfs/dbraw/zinc/60/34/60/1086603460.db2.gz UAVSNDYQANBHDY-UHFFFAOYSA-N 0 3 323.824 2.295 20 30 DEEDHN C=CCCCC(=O)NC1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001063849804 1087494157 /nfs/dbraw/zinc/49/41/57/1087494157.db2.gz RGQMBWMPWASSBV-MRXNPFEDSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CC3(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079235855 1087767679 /nfs/dbraw/zinc/76/76/79/1087767679.db2.gz VLHFWQWMPNDASY-OWCLPIDISA-N 0 3 318.461 2.158 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C2CC2)C1 ZINC001079777205 1088409290 /nfs/dbraw/zinc/40/92/90/1088409290.db2.gz TUOSPUJGOYABIE-CZUORRHYSA-N 0 3 316.449 2.407 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001079826414 1088434857 /nfs/dbraw/zinc/43/48/57/1088434857.db2.gz XKORXQAYZHPERL-BXUZGUMPSA-N 0 3 307.344 2.093 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114755374 1088441506 /nfs/dbraw/zinc/44/15/06/1088441506.db2.gz MTMZLLIMJJBWJU-DZFIZOCASA-N 0 3 309.413 2.461 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001080142145 1088634649 /nfs/dbraw/zinc/63/46/49/1088634649.db2.gz GZTHTRYRVYGWOJ-OAUYIBNBSA-N 0 3 302.393 2.478 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001080145672 1088660693 /nfs/dbraw/zinc/66/06/93/1088660693.db2.gz AWZDSIUBRVAVBW-CXAGYDPISA-N 0 3 310.401 2.256 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(CCOCCC(C)C)C[C@H]32)C1 ZINC001114817448 1088723496 /nfs/dbraw/zinc/72/34/96/1088723496.db2.gz WDOJTJRBCYBPRV-FVQHAEBGSA-N 0 3 320.477 2.452 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001080309470 1088770566 /nfs/dbraw/zinc/77/05/66/1088770566.db2.gz RRCLALPCEFTSSJ-RHSMWYFYSA-N 0 3 301.434 2.451 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000958152339 1088819698 /nfs/dbraw/zinc/81/96/98/1088819698.db2.gz OMZCDMBWOUBBAQ-XLAORIBOSA-N 0 3 320.477 2.188 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001080349144 1088845083 /nfs/dbraw/zinc/84/50/83/1088845083.db2.gz FYQHXHZYTFAYIY-RHSMWYFYSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2cc3occc3s2)[C@H](O)C1 ZINC000958405587 1088970347 /nfs/dbraw/zinc/97/03/47/1088970347.db2.gz UNHIQADISJXLTK-VXGBXAGGSA-N 0 3 320.414 2.093 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC000958462604 1088999392 /nfs/dbraw/zinc/99/93/92/1088999392.db2.gz DIFQNVOSGXMXJY-HITAIPBASA-N 0 3 320.477 2.188 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H](O)C1 ZINC000958514870 1089036001 /nfs/dbraw/zinc/03/60/01/1089036001.db2.gz DWYIHHDRAFKGGB-QBPKDAKJSA-N 0 3 308.466 2.044 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C3CC3)s2)C1 ZINC000958587850 1089076061 /nfs/dbraw/zinc/07/60/61/1089076061.db2.gz MODDOFBYDNIPBV-KBPBESRZSA-N 0 3 320.458 2.224 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(F)F)c2)C1 ZINC000958597084 1089079158 /nfs/dbraw/zinc/07/91/58/1089079158.db2.gz AKRJGTKIGQCLAP-LSDHHAIUSA-N 0 3 324.371 2.223 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2OCC)C1 ZINC001080679685 1089135740 /nfs/dbraw/zinc/13/57/40/1089135740.db2.gz RCKVAAMINPCRHB-CZUORRHYSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2CC(C)C)C1 ZINC000958729242 1089153308 /nfs/dbraw/zinc/15/33/08/1089153308.db2.gz SVCIITLRVKIDQO-FUHWJXTLSA-N 0 3 316.445 2.094 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(CCCF)C[C@H]1C ZINC001080753424 1089170826 /nfs/dbraw/zinc/17/08/26/1089170826.db2.gz IEHNJNPIDYNSKG-ZIAGYGMSSA-N 0 3 321.396 2.056 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001080754802 1089172733 /nfs/dbraw/zinc/17/27/33/1089172733.db2.gz ZFAIASHSKQCSGT-CXAGYDPISA-N 0 3 318.465 2.246 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H]1CCCCN1C(C)=O ZINC000958809068 1089197109 /nfs/dbraw/zinc/19/71/09/1089197109.db2.gz AXBWOEOKDFQEFL-INIZCTEOSA-N 0 3 301.390 2.057 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncccc2OCC)C1 ZINC001081065136 1089314190 /nfs/dbraw/zinc/31/41/90/1089314190.db2.gz RRJVEEXFOCFBSE-ZIAGYGMSSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC001081130089 1089362037 /nfs/dbraw/zinc/36/20/37/1089362037.db2.gz VDCRCDYEMATWIO-ZWKOTPCHSA-N 0 3 308.425 2.394 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1c1ccccc1 ZINC001081201173 1089368814 /nfs/dbraw/zinc/36/88/14/1089368814.db2.gz VGLQNFMKVWTAPF-ZWKOTPCHSA-N 0 3 308.381 2.040 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H](OC)C1 ZINC001081356059 1089401731 /nfs/dbraw/zinc/40/17/31/1089401731.db2.gz WTFZBVXVWLTMHR-ZIAGYGMSSA-N 0 3 311.813 2.063 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)[C@H](OC)C1 ZINC001081852287 1089519981 /nfs/dbraw/zinc/51/99/81/1089519981.db2.gz MWNZEEMSHBZPET-ZJIFWQFVSA-N 0 3 320.458 2.243 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@H](OC)C1 ZINC001082242259 1089794072 /nfs/dbraw/zinc/79/40/72/1089794072.db2.gz BCFBXLDQIGXRIW-KBRIMQKVSA-N 0 3 320.433 2.391 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2CNCc2cccnc2)c1 ZINC000959944044 1089867750 /nfs/dbraw/zinc/86/77/50/1089867750.db2.gz SIUDLDWZOAWYFZ-INIZCTEOSA-N 0 3 323.400 2.066 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)Cc3ccc(C)cc3)[C@H]2C1 ZINC001083135187 1090163074 /nfs/dbraw/zinc/16/30/74/1090163074.db2.gz PBLYHIHRIXLUFG-ZWKOTPCHSA-N 0 3 314.429 2.025 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001083984368 1090186113 /nfs/dbraw/zinc/18/61/13/1090186113.db2.gz MWQNVGKAZSBKMB-CABCVRRESA-N 0 3 308.809 2.081 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc(C)c(C#N)c1)CC2 ZINC001273214439 1090214448 /nfs/dbraw/zinc/21/44/48/1090214448.db2.gz XUFCQAZURKTGLZ-GOSISDBHSA-N 0 3 321.424 2.218 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@H](C)OC)C[C@H]21 ZINC001084371497 1090279969 /nfs/dbraw/zinc/27/99/69/1090279969.db2.gz JBUNGCVYJQSUJN-IACUBPJLSA-N 0 3 314.857 2.333 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COC3CCCCC3)[C@@H]2C1 ZINC001084472502 1090301339 /nfs/dbraw/zinc/30/13/39/1090301339.db2.gz LNBCKVSZSIUAEE-NVXWUHKLSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3cncc(C)c3)[C@@H]2C1 ZINC001084507468 1090313879 /nfs/dbraw/zinc/31/38/79/1090313879.db2.gz ZYSMVAKZZCYMGQ-QZTJIDSGSA-N 0 3 313.445 2.431 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccc(F)cc43)[C@@H]2C1 ZINC001084611644 1090347931 /nfs/dbraw/zinc/34/79/31/1090347931.db2.gz XJEPHALEMGVGIU-ZTFGCOKTSA-N 0 3 312.388 2.021 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccs3)[C@@H]2C1 ZINC001084655691 1090367355 /nfs/dbraw/zinc/36/73/55/1090367355.db2.gz DPCRDKYUIKWWJF-RRFJBIMHSA-N 0 3 302.443 2.408 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccsc3)[C@@H]2C1 ZINC001084655593 1090367834 /nfs/dbraw/zinc/36/78/34/1090367834.db2.gz ACVRGZZZQJPVGW-SQWLQELKSA-N 0 3 302.443 2.408 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001084660963 1090374467 /nfs/dbraw/zinc/37/44/67/1090374467.db2.gz AOQCWLQVPZIDEV-NVXWUHKLSA-N 0 3 311.429 2.452 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3CCC(F)(F)CC3)[C@@H]2C1 ZINC001084684310 1090390051 /nfs/dbraw/zinc/39/00/51/1090390051.db2.gz FAPOSRVBHCVLCV-HUUCEWRRSA-N 0 3 310.388 2.368 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001084715599 1090409039 /nfs/dbraw/zinc/40/90/39/1090409039.db2.gz NRKWSUWZWNSRTK-XDNAFOTISA-N 0 3 318.461 2.467 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4cccnc4c3)[C@@H]2C1 ZINC001084728808 1090414711 /nfs/dbraw/zinc/41/47/11/1090414711.db2.gz ZRTJOBXGWXZOSP-IEBWSBKVSA-N 0 3 319.408 2.404 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)CCCF)C1 ZINC001410221235 1090436093 /nfs/dbraw/zinc/43/60/93/1090436093.db2.gz IUKWPFKXSUMYKL-SAZUREKKSA-N 0 3 303.381 2.292 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cn3cc4ccccc4n3)[C@@H]2C1 ZINC001084781911 1090442006 /nfs/dbraw/zinc/44/20/06/1090442006.db2.gz VJVYQEFJVOBBPT-SJLPKXTDSA-N 0 3 324.428 2.145 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3csc(COC)n3)[C@@H]2C1 ZINC001084864639 1090485161 /nfs/dbraw/zinc/48/51/61/1090485161.db2.gz GVAXANDYIBGZQQ-TZMCWYRMSA-N 0 3 321.446 2.012 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC001099856216 1090553618 /nfs/dbraw/zinc/55/36/18/1090553618.db2.gz UEKLZZAFLUWCEK-MSOLQXFVSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n(C)n1 ZINC001085145127 1090673362 /nfs/dbraw/zinc/67/33/62/1090673362.db2.gz FNQRDJFNDIWOTM-CHWSQXEVSA-N 0 3 310.829 2.112 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(CCC)cc2)CCO1 ZINC001273308716 1090912519 /nfs/dbraw/zinc/91/25/19/1090912519.db2.gz OYHIULZITSLHAI-GOSISDBHSA-N 0 3 314.429 2.093 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(OC)nc2)C1 ZINC001274249678 1091149301 /nfs/dbraw/zinc/14/93/01/1091149301.db2.gz BJEGQOFGHYVFDX-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)Oc2cccnc2)C(C)(C)C1 ZINC001274454363 1091253155 /nfs/dbraw/zinc/25/31/55/1091253155.db2.gz NYFLGTMXOCJHSH-GDBMZVCRSA-N 0 3 317.433 2.252 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N2CCN(CCCC)CC2)C1 ZINC001280692229 1091305126 /nfs/dbraw/zinc/30/51/26/1091305126.db2.gz OLJKFLXDPRSFMV-QGZVFWFLSA-N 0 3 307.482 2.361 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)COCC2CCCC2)CC1 ZINC001273427492 1091352272 /nfs/dbraw/zinc/35/22/72/1091352272.db2.gz JSGOBHQLEAQAMT-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2cscn2)C[C@@H]1C ZINC001274663626 1091357567 /nfs/dbraw/zinc/35/75/67/1091357567.db2.gz WGBVJCRQPFICIA-UONOGXRCSA-N 0 3 305.447 2.068 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3ncoc3c1)CC2 ZINC001274793968 1091421607 /nfs/dbraw/zinc/42/16/07/1091421607.db2.gz POTHHIVAMXYUME-HNNXBMFYSA-N 0 3 323.396 2.179 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001274848415 1091445008 /nfs/dbraw/zinc/44/50/08/1091445008.db2.gz VHMKXDHDEUIKMY-GOSISDBHSA-N 0 3 314.429 2.315 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3ccsc3Cl)C2)C1=O ZINC001274859563 1091450180 /nfs/dbraw/zinc/45/01/80/1091450180.db2.gz PRFVUWWOZIIBDT-HNNXBMFYSA-N 0 3 308.834 2.459 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)c1cc(C2CC2)on1 ZINC001274863730 1091451719 /nfs/dbraw/zinc/45/17/19/1091451719.db2.gz FHTQPGBAYDXWEH-CQSZACIVSA-N 0 3 323.396 2.312 20 30 DEEDHN C=CCCCCN1C[C@@H]2COC[C@H](C1)N2Cc1nccn1CC ZINC001274974411 1091497071 /nfs/dbraw/zinc/49/70/71/1091497071.db2.gz JQZZWVAFQCOCRW-CALCHBBNSA-N 0 3 318.465 2.144 20 30 DEEDHN C#Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c1 ZINC001276097597 1091544907 /nfs/dbraw/zinc/54/49/07/1091544907.db2.gz XPPNJYHXIQEAPZ-ROUUACIJSA-N 0 3 311.429 2.435 20 30 DEEDHN C#Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)cc1 ZINC001275132504 1091576162 /nfs/dbraw/zinc/57/61/62/1091576162.db2.gz UYENRKDNMGMBFO-ROUUACIJSA-N 0 3 311.429 2.435 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)C(C)(C)COC ZINC001276127840 1091579075 /nfs/dbraw/zinc/57/90/75/1091579075.db2.gz HJKSSPADEKTBRB-UHFFFAOYSA-N 0 3 321.259 2.006 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001412609043 1091582162 /nfs/dbraw/zinc/58/21/62/1091582162.db2.gz MUBZRIOUGRBNKQ-DLBZAZTESA-N 0 3 309.413 2.285 20 30 DEEDHN Cc1cnccc1CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275157955 1091590875 /nfs/dbraw/zinc/59/08/75/1091590875.db2.gz ZQFYGHDHBBTASK-KRWDZBQOSA-N 0 3 321.424 2.079 20 30 DEEDHN Cn1cc(CN2C[C@@H]3CCN(Cc4ccco4)[C@@H]3C2)cc1C#N ZINC001275236674 1091629915 /nfs/dbraw/zinc/62/99/15/1091629915.db2.gz XHXNXSOZKSNGNF-MAUKXSAKSA-N 0 3 310.401 2.196 20 30 DEEDHN CCOCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001275347560 1091680914 /nfs/dbraw/zinc/68/09/14/1091680914.db2.gz IOWIHJNOOWQFMT-ZIAGYGMSSA-N 0 3 322.836 2.211 20 30 DEEDHN N#CCCCN1CC[C@]2(CCCN2C[C@H]2CCC=CO2)C1=O ZINC001273443553 1091699508 /nfs/dbraw/zinc/69/95/08/1091699508.db2.gz MNRUJZPPQDNRTC-NVXWUHKLSA-N 0 3 303.406 2.050 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](OCC)C(C)C)C2)C1 ZINC001671075276 1091725771 /nfs/dbraw/zinc/72/57/71/1091725771.db2.gz OHVYPTXIIJBDLL-IEBWSBKVSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001493111734 1091732034 /nfs/dbraw/zinc/73/20/34/1091732034.db2.gz SRTJDPUORAAJMX-CVEARBPZSA-N 0 3 304.438 2.237 20 30 DEEDHN CCC1(C(=O)N2CC[C@@]3(CCN(CC#CCOC)C3)C2)CCC1 ZINC001671080629 1091759651 /nfs/dbraw/zinc/75/96/51/1091759651.db2.gz LVCADMVPHQDJPX-GOSISDBHSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cn1ncc2ccccc21 ZINC001276285239 1091763787 /nfs/dbraw/zinc/76/37/87/1091763787.db2.gz AQCDWLJYJDUODN-UHFFFAOYSA-N 0 3 320.824 2.227 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001490836567 1091812243 /nfs/dbraw/zinc/81/22/43/1091812243.db2.gz NHKOCHFLDDHSLK-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001490836568 1091812260 /nfs/dbraw/zinc/81/22/60/1091812260.db2.gz NHKOCHFLDDHSLK-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001273571442 1091930133 /nfs/dbraw/zinc/93/01/33/1091930133.db2.gz HGZJKRGZIUNXSU-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnn(CC(C)C)c1C ZINC001273584256 1091936138 /nfs/dbraw/zinc/93/61/38/1091936138.db2.gz OTWYUJRRLNOUOH-UHFFFAOYSA-N 0 3 318.465 2.265 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cnn(C(C)(C)C)c1CC ZINC001273591152 1091940463 /nfs/dbraw/zinc/94/04/63/1091940463.db2.gz GNVLMXZDHRJYIM-UHFFFAOYSA-N 0 3 318.465 2.228 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnc(OC)c(Cl)c2)CC1 ZINC001006436500 1091948468 /nfs/dbraw/zinc/94/84/68/1091948468.db2.gz YWKVLYQELIJQAB-UHFFFAOYSA-N 0 3 323.824 2.466 20 30 DEEDHN CCCCN1CC[C@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273615150 1091956964 /nfs/dbraw/zinc/95/69/64/1091956964.db2.gz BHVVZMBBAJXALB-SFHVURJKSA-N 0 3 312.417 2.178 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000948861009 1091970538 /nfs/dbraw/zinc/97/05/38/1091970538.db2.gz ISWRDQHUZDGWLA-BBRMVZONSA-N 0 3 316.449 2.076 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C#C)cc1 ZINC001273671938 1091986811 /nfs/dbraw/zinc/98/68/11/1091986811.db2.gz VALNJRTUBHQRJU-FQEVSTJZSA-N 0 3 306.409 2.258 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc(C#C)c3)CC2)C1=O ZINC001273792618 1092052870 /nfs/dbraw/zinc/05/28/70/1092052870.db2.gz VIGYOCGXVJTORD-UHFFFAOYSA-N 0 3 306.409 2.116 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H](F)C(C)C)CC2)C1 ZINC000949436899 1092145256 /nfs/dbraw/zinc/14/52/56/1092145256.db2.gz IRDFBFFKMJLBLV-HNNXBMFYSA-N 0 3 312.429 2.250 20 30 DEEDHN C=CCN1Cc2ccccc2C[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001273814243 1092153194 /nfs/dbraw/zinc/15/31/94/1092153194.db2.gz MGTLMXUUNRQIPP-SFHVURJKSA-N 0 3 324.428 2.071 20 30 DEEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1C#N ZINC001275884834 1092270480 /nfs/dbraw/zinc/27/04/80/1092270480.db2.gz LTOSJNUZBWEOTL-OALUTQOASA-N 0 3 321.428 2.141 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001488136634 1092338020 /nfs/dbraw/zinc/33/80/20/1092338020.db2.gz RGYBBKWEVUMOFO-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@](CO)(NC/C=C/Cl)C1 ZINC001273885613 1092479233 /nfs/dbraw/zinc/47/92/33/1092479233.db2.gz PONHZNHEWKMSIH-LWUPOJRFSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(C)CCC(=O)N(CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001488458609 1092572085 /nfs/dbraw/zinc/57/20/85/1092572085.db2.gz OPAHZIRDSMWEIF-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)[C@H]21 ZINC001489087113 1092910332 /nfs/dbraw/zinc/91/03/32/1092910332.db2.gz PBTAAKNNRVRPJU-PVAVHDDUSA-N 0 3 300.446 2.274 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC)OCC ZINC001489118844 1092929456 /nfs/dbraw/zinc/92/94/56/1092929456.db2.gz RRMKSHXFKGDDIR-GVDBMIGSSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)CC(C)(C)C1 ZINC001489342643 1093029314 /nfs/dbraw/zinc/02/93/14/1093029314.db2.gz RTLWZAUOQNSKJM-KGLIPLIRSA-N 0 3 319.453 2.380 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)CC(C)(C)C1 ZINC001489342643 1093029318 /nfs/dbraw/zinc/02/93/18/1093029318.db2.gz RTLWZAUOQNSKJM-KGLIPLIRSA-N 0 3 319.453 2.380 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001489347464 1093032222 /nfs/dbraw/zinc/03/22/22/1093032222.db2.gz NETVJYSPMAZQFL-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CCCC(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001489374897 1093037445 /nfs/dbraw/zinc/03/74/45/1093037445.db2.gz FUYXBGOPCXOXIH-UHFFFAOYSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@@H]1C ZINC001490101048 1093209118 /nfs/dbraw/zinc/20/91/18/1093209118.db2.gz QWZROQZJIKWVFO-ILXRZTDVSA-N 0 3 323.481 2.035 20 30 DEEDHN CC[C@H](F)CN(CCCNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001490371384 1093328571 /nfs/dbraw/zinc/32/85/71/1093328571.db2.gz RRNARBHQEXISOT-ZDUSSCGKSA-N 0 3 306.385 2.219 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc2[nH]nc(C)c2c1)C1CC1 ZINC001490379424 1093334751 /nfs/dbraw/zinc/33/47/51/1093334751.db2.gz NZVFQODBTUQCRC-UHFFFAOYSA-N 0 3 310.401 2.089 20 30 DEEDHN CC#CCN(CCCNC(=O)CCc1nccs1)C1CC1 ZINC001490392590 1093343123 /nfs/dbraw/zinc/34/31/23/1093343123.db2.gz CBVMGVUAMJNGJP-UHFFFAOYSA-N 0 3 305.447 2.070 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](NCc2ccnn2C)C2CC2)CCC1 ZINC001490705729 1093475429 /nfs/dbraw/zinc/47/54/29/1093475429.db2.gz RRRDUAWOUQFMBN-MRXNPFEDSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(Cc3ccsc3C)C2)OCC1=O ZINC001274074427 1093790533 /nfs/dbraw/zinc/79/05/33/1093790533.db2.gz UXDMIFGFORZAMZ-QGZVFWFLSA-N 0 3 320.458 2.436 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001274097234 1093797476 /nfs/dbraw/zinc/79/74/76/1093797476.db2.gz RKSBVHMMJGURTL-KEGWNNHHSA-N 0 3 312.413 2.010 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3cccc(N)n3)CC2)C1=O ZINC001274159747 1093825659 /nfs/dbraw/zinc/82/56/59/1093825659.db2.gz WIFOTKPSYAOPLY-UHFFFAOYSA-N 0 3 314.433 2.054 20 30 DEEDHN Cc1ncoc1CN(CCCNC(=O)C#CC1CC1)C(C)C ZINC001691727062 1138214816 /nfs/dbraw/zinc/21/48/16/1138214816.db2.gz UGDNEVXFFAKAJY-UHFFFAOYSA-N 0 3 303.406 2.113 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235798111 1138332659 /nfs/dbraw/zinc/33/26/59/1138332659.db2.gz RMIZIBCPWCAYJW-OAHLLOKOSA-N 0 3 304.438 2.035 20 30 DEEDHN CN1CCN(c2ccc(CN3CCC(C#N)CC3)c(F)c2)CC1 ZINC001236933456 1138460810 /nfs/dbraw/zinc/46/08/10/1138460810.db2.gz XZTRCDNYSGCJNL-UHFFFAOYSA-N 0 3 316.424 2.313 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1 ZINC001278077850 1138581911 /nfs/dbraw/zinc/58/19/11/1138581911.db2.gz OHUVSUADXMGVBF-XJKSGUPXSA-N 0 3 322.836 2.127 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CN2CCc3ccccc32)CC1 ZINC001278094915 1138617804 /nfs/dbraw/zinc/61/78/04/1138617804.db2.gz PIDGTGMDOGIVHF-UHFFFAOYSA-N 0 3 313.445 2.206 20 30 DEEDHN Cn1cc(CN2CCC3(COC(=O)N3)CC2)c2cc(C#N)ccc21 ZINC001237472861 1138647436 /nfs/dbraw/zinc/64/74/36/1138647436.db2.gz OAHKCADERFAJCL-UHFFFAOYSA-N 0 3 324.384 2.124 20 30 DEEDHN C#CCN(C(=O)C1=CCCC1)C1CCN(CCOCC=C)CC1 ZINC001278137283 1138773128 /nfs/dbraw/zinc/77/31/28/1138773128.db2.gz MCHPQOAKNLECKZ-UHFFFAOYSA-N 0 3 316.445 2.226 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@]3(CCNC3=O)C2)c(Cl)c1 ZINC001238081613 1138820687 /nfs/dbraw/zinc/82/06/87/1138820687.db2.gz CCNLJIIAXHLTCY-INIZCTEOSA-N 0 3 303.793 2.314 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1cccc3cncn31)CC2 ZINC001238105198 1138822840 /nfs/dbraw/zinc/82/28/40/1138822840.db2.gz QKPREFHOZDINLE-UHFFFAOYSA-N 0 3 324.428 2.477 20 30 DEEDHN CC(C)(O)CN1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238196108 1138833889 /nfs/dbraw/zinc/83/38/89/1138833889.db2.gz PXKRUQGSMLQDRB-UHFFFAOYSA-N 0 3 307.825 2.100 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C#CC1CC1 ZINC001278252521 1138858578 /nfs/dbraw/zinc/85/85/78/1138858578.db2.gz VYJTXAUYHIVTOD-QFBILLFUSA-N 0 3 306.409 2.031 20 30 DEEDHN CCCCCCCCOC(=O)NCCCC[C@H](N)C(N)=O ZINC001239323335 1139021465 /nfs/dbraw/zinc/02/14/65/1139021465.db2.gz DLKWFXPFQIXHPV-ZDUSSCGKSA-N 0 3 301.431 2.056 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001293879059 1139053550 /nfs/dbraw/zinc/05/35/50/1139053550.db2.gz IZFDXGFCGHSURZ-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1cc(-c2ccccc2-c2nnn[n-]2)cc(C2C[NH2+]C2)c1 ZINC001240345619 1139342484 /nfs/dbraw/zinc/34/24/84/1139342484.db2.gz MVBOBHDWPLZIJA-UHFFFAOYSA-N 0 3 302.341 2.092 20 30 DEEDHN N#Cc1cc(-c2ccccc2-c2nn[n-]n2)cc(C2C[NH2+]C2)c1 ZINC001240345619 1139342493 /nfs/dbraw/zinc/34/24/93/1139342493.db2.gz MVBOBHDWPLZIJA-UHFFFAOYSA-N 0 3 302.341 2.092 20 30 DEEDHN Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1-c1nnn[n-]1 ZINC001240360350 1139349390 /nfs/dbraw/zinc/34/93/90/1139349390.db2.gz AZYPKKQPQWKFCF-UHFFFAOYSA-N 0 3 316.368 2.401 20 30 DEEDHN Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1-c1nn[n-]n1 ZINC001240360350 1139349396 /nfs/dbraw/zinc/34/93/96/1139349396.db2.gz AZYPKKQPQWKFCF-UHFFFAOYSA-N 0 3 316.368 2.401 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4cc(C#N)cnn4)cc3)CC2)CC1 ZINC001240582016 1139445498 /nfs/dbraw/zinc/44/54/98/1139445498.db2.gz CXFHYQJCPONDIO-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001295885738 1139622255 /nfs/dbraw/zinc/62/22/55/1139622255.db2.gz GHGOKQBKYMGMMI-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CCC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001296539583 1139803776 /nfs/dbraw/zinc/80/37/76/1139803776.db2.gz JSIDTQNTOPEHSP-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c[nH]c(Br)c1 ZINC001297378936 1139865076 /nfs/dbraw/zinc/86/50/76/1139865076.db2.gz LECMWVJCFYZORP-UHFFFAOYSA-N 0 3 314.227 2.357 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001278355104 1140048397 /nfs/dbraw/zinc/04/83/97/1140048397.db2.gz JONURWRUUARMKR-LRDDRELGSA-N 0 3 324.371 2.246 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@@H]1CCCN1CCC ZINC001298667375 1140071040 /nfs/dbraw/zinc/07/10/40/1140071040.db2.gz IZUHQMRLHSRPBD-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001491583859 1140176786 /nfs/dbraw/zinc/17/67/86/1140176786.db2.gz AIZTULXJLUOCKU-JGGQBBKZSA-N 0 3 315.417 2.207 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nc(C(C)C)oc2C)C1 ZINC001278370585 1140241891 /nfs/dbraw/zinc/24/18/91/1140241891.db2.gz JYWJLGFGGHRTAO-TZMCWYRMSA-N 0 3 303.406 2.322 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)C(C)(C)c1ccccc1OC ZINC001491699403 1140261536 /nfs/dbraw/zinc/26/15/36/1140261536.db2.gz QTFGXEHUQVHPBF-AWEZNQCLSA-N 0 3 302.418 2.090 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2ccccc2N(C)C)C1 ZINC001491725161 1140286714 /nfs/dbraw/zinc/28/67/14/1140286714.db2.gz XVSNKCNFDXOQPJ-KRWDZBQOSA-N 0 3 313.445 2.103 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001491734920 1140290750 /nfs/dbraw/zinc/29/07/50/1140290750.db2.gz VTNOTRFISFNVGL-MSOLQXFVSA-N 0 3 312.413 2.018 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001491800069 1140315023 /nfs/dbraw/zinc/31/50/23/1140315023.db2.gz DMYOHHLRTQNCKB-GKWYLQRDSA-N 0 3 301.217 2.157 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001318523351 1140357409 /nfs/dbraw/zinc/35/74/09/1140357409.db2.gz BBQORLPPMONISD-INIZCTEOSA-N 0 3 313.376 2.095 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CCNCc1ccn(C)n1 ZINC001319743321 1140702356 /nfs/dbraw/zinc/70/23/56/1140702356.db2.gz VQDGWXLFYCOWIE-MRXNPFEDSA-N 0 3 304.438 2.247 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](NCC#Cc2ccccc2)C(C)C)[nH]n1 ZINC001319900870 1140801362 /nfs/dbraw/zinc/80/13/62/1140801362.db2.gz XXGUYZFVTHLQET-SFHVURJKSA-N 0 3 324.428 2.114 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1ccc2c(c1)OCCCO2 ZINC001320008550 1140812254 /nfs/dbraw/zinc/81/22/54/1140812254.db2.gz JEYRIKXLOQBQMH-UHFFFAOYSA-N 0 3 304.390 2.038 20 30 DEEDHN C=CCO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC001320039884 1140815306 /nfs/dbraw/zinc/81/53/06/1140815306.db2.gz QQOACBGSMFSSLQ-ZDUSSCGKSA-N 0 3 305.403 2.225 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC001320072859 1140818397 /nfs/dbraw/zinc/81/83/97/1140818397.db2.gz OHMJORPAOGULPD-UHFFFAOYSA-N 0 3 314.389 2.317 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cnns1 ZINC001320150439 1140829876 /nfs/dbraw/zinc/82/98/76/1140829876.db2.gz BTIYSCKFTNNJOO-TZMCWYRMSA-N 0 3 308.451 2.269 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNCc1ccn(C)n1 ZINC001320154381 1140831096 /nfs/dbraw/zinc/83/10/96/1140831096.db2.gz NXFCRDJRXZXGQB-ZBFHGGJFSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCO[C@H]1CCN(CCOc2cccc(C(=O)OC)c2)C1 ZINC001320157396 1140831344 /nfs/dbraw/zinc/83/13/44/1140831344.db2.gz VAXNFXKBXCCQJX-INIZCTEOSA-N 0 3 305.374 2.129 20 30 DEEDHN CO[C@H](C)CC(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001320362824 1140855664 /nfs/dbraw/zinc/85/56/64/1140855664.db2.gz RVUNFIWULPEXST-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(CCc1ccccc1)CCN(C)C ZINC001320606329 1140885308 /nfs/dbraw/zinc/88/53/08/1140885308.db2.gz VAMYKCJNIZHMKU-QGZVFWFLSA-N 0 3 319.449 2.003 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC1CC1 ZINC001320662121 1140891260 /nfs/dbraw/zinc/89/12/60/1140891260.db2.gz JUNMQZJYDLLHPB-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc2scnc21 ZINC001320733895 1140899876 /nfs/dbraw/zinc/89/98/76/1140899876.db2.gz 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1141801063 /nfs/dbraw/zinc/80/10/63/1141801063.db2.gz WEJWKDKCZZWULU-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001323259142 1141833391 /nfs/dbraw/zinc/83/33/91/1141833391.db2.gz QXHOWPYBQXGFCP-OLZOCXBDSA-N 0 3 302.422 2.057 20 30 DEEDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001249201330 1141859403 /nfs/dbraw/zinc/85/94/03/1141859403.db2.gz OUEQBBLQTRDXIN-ZDUSSCGKSA-N 0 3 302.374 2.233 20 30 DEEDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC001249201330 1141859404 /nfs/dbraw/zinc/85/94/04/1141859404.db2.gz OUEQBBLQTRDXIN-ZDUSSCGKSA-N 0 3 302.374 2.233 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001323681411 1141876449 /nfs/dbraw/zinc/87/64/49/1141876449.db2.gz PNLVUGKSYBKBJK-OIISXLGYSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@H](O)COc2ccccc2Cl)C1 ZINC001323727065 1141881349 /nfs/dbraw/zinc/88/13/49/1141881349.db2.gz FQXPJNHVJUTMFH-KBPBESRZSA-N 0 3 311.809 2.357 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2nccnc2C)C[C@@H]1C ZINC001324049078 1141980705 /nfs/dbraw/zinc/98/07/05/1141980705.db2.gz GKMTYCLQWOMWBP-ZFWWWQNUSA-N 0 3 302.422 2.220 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2nccn2C)C[C@H]1C ZINC001324069049 1142000130 /nfs/dbraw/zinc/00/01/30/1142000130.db2.gz XSDCSEBYIGKBMO-HUUCEWRRSA-N 0 3 318.465 2.492 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001324166601 1142021039 /nfs/dbraw/zinc/02/10/39/1142021039.db2.gz HXNUGFJBJVPXTC-GXTWGEPZSA-N 0 3 305.426 2.111 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCCCC1(C)C)C1CCN(CCO)CC1 ZINC001324440838 1142078238 /nfs/dbraw/zinc/07/82/38/1142078238.db2.gz GNEHLRBPBVBVCF-KRWDZBQOSA-N 0 3 320.477 2.121 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCOCC(C)C ZINC001324529049 1142095773 /nfs/dbraw/zinc/09/57/73/1142095773.db2.gz WFGZZSFJBVDAGH-MSOLQXFVSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](CNCc2oc(C)nc2C)C1 ZINC001278560280 1142142073 /nfs/dbraw/zinc/14/20/73/1142142073.db2.gz 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/nfs/dbraw/zinc/65/23/15/1142652315.db2.gz MOFBZANXHKEEFG-CVEARBPZSA-N 0 3 315.454 2.220 20 30 DEEDHN C=C[C@](C)(O)CN1CCN(c2nc3ccccc3n2CC)CC1 ZINC001252556268 1142764317 /nfs/dbraw/zinc/76/43/17/1142764317.db2.gz FUWSYMXUTPBZJP-SFHVURJKSA-N 0 3 314.433 2.115 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001278672040 1142765302 /nfs/dbraw/zinc/76/53/02/1142765302.db2.gz FUTJPKBLLXAQOO-QGZVFWFLSA-N 0 3 304.438 2.055 20 30 DEEDHN C=CCC[C@@H](O)CN1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001252600168 1142784658 /nfs/dbraw/zinc/78/46/58/1142784658.db2.gz YQEIIQVGKIUPGC-CQSZACIVSA-N 0 3 310.438 2.303 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CCC[C@H](NC(=O)NC)C1 ZINC001253242043 1142856989 /nfs/dbraw/zinc/85/69/89/1142856989.db2.gz HIMFPOGJSZQSJF-HOTGVXAUSA-N 0 3 311.470 2.267 20 30 DEEDHN C[C@](O)(CNCc1cccc(C#N)c1)C(=O)OCc1ccccc1 ZINC001253620772 1142885608 /nfs/dbraw/zinc/88/56/08/1142885608.db2.gz NOKUZCLCEAIBRL-IBGZPJMESA-N 0 3 324.380 2.142 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC001254673974 1143308893 /nfs/dbraw/zinc/30/88/93/1143308893.db2.gz RXUNXGRQKFLOQU-HIFRSBDPSA-N 0 3 323.400 2.121 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2cccc(C)c2C)C1 ZINC001278821732 1143350829 /nfs/dbraw/zinc/35/08/29/1143350829.db2.gz NKMPEOTYBAZYJS-SFHVURJKSA-N 0 3 302.418 2.046 20 30 DEEDHN CCOC(=O)CN(CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC001255120011 1143430043 /nfs/dbraw/zinc/43/00/43/1143430043.db2.gz ILEVWGCEGCQDQZ-KRWDZBQOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2c(s1)CN(CC)CC2 ZINC001340773046 1143436741 /nfs/dbraw/zinc/43/67/41/1143436741.db2.gz GRNKECKNZKSSTH-LLVKDONJSA-N 0 3 308.451 2.143 20 30 DEEDHN CC[C@@H](CC#N)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC001255169882 1143463083 /nfs/dbraw/zinc/46/30/83/1143463083.db2.gz LFTZHFCFSVMRER-HOTGVXAUSA-N 0 3 319.449 2.030 20 30 DEEDHN CC[C@@H](CC#N)n1nc(C(=O)N2CCC[C@@H]2C)c2c1CCNC2 ZINC001255169526 1143463483 /nfs/dbraw/zinc/46/34/83/1143463483.db2.gz GGVVBPNFPFGCSE-STQMWFEESA-N 0 3 315.421 2.018 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCOC[C@H]1c1ccc(OC)cc1 ZINC001340924334 1143496745 /nfs/dbraw/zinc/49/67/45/1143496745.db2.gz ATGJFSPUPYVZTF-IRXDYDNUSA-N 0 3 318.417 2.279 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](c2nc(CC)no2)C1 ZINC001341190262 1143559055 /nfs/dbraw/zinc/55/90/55/1143559055.db2.gz BYHZINWMAJCNOU-AVGNSLFASA-N 0 3 306.410 2.068 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC001341362896 1143589078 /nfs/dbraw/zinc/58/90/78/1143589078.db2.gz URMPRPQJSVIICE-CYBMUJFWSA-N 0 3 303.341 2.029 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC001341446932 1143605438 /nfs/dbraw/zinc/60/54/38/1143605438.db2.gz SOXPAMRLMWLWQG-IAGOWNOFSA-N 0 3 312.417 2.424 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001341532457 1143623755 /nfs/dbraw/zinc/62/37/55/1143623755.db2.gz JEZPWCUNSJGRNJ-JKSUJKDBSA-N 0 3 306.381 2.409 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2cncs2)cc1 ZINC001341914459 1143742520 /nfs/dbraw/zinc/74/25/20/1143742520.db2.gz IRPLODBUFZDFKB-CYBMUJFWSA-N 0 3 315.354 2.042 20 30 DEEDHN C=CCn1c([C@@H](O)CC)nnc1N1CCN(C(C)(C)CC)CC1 ZINC001341959806 1143752661 /nfs/dbraw/zinc/75/26/61/1143752661.db2.gz WCYLTYHERDUZGQ-AWEZNQCLSA-N 0 3 321.469 2.218 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC001341970419 1143756217 /nfs/dbraw/zinc/75/62/17/1143756217.db2.gz QYAJYFZDMHXEET-IRXDYDNUSA-N 0 3 315.417 2.218 20 30 DEEDHN CCn1c(CCCC#N)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001342846898 1143839566 /nfs/dbraw/zinc/83/95/66/1143839566.db2.gz MGBAIOKBUNSYEH-KBPBESRZSA-N 0 3 304.442 2.063 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001342886629 1143841435 /nfs/dbraw/zinc/84/14/35/1143841435.db2.gz PJOXVXPCHQWTBV-PMPSAXMXSA-N 0 3 306.450 2.478 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCN(C2CCC(C#N)CC2)CC1 ZINC001256968381 1143877301 /nfs/dbraw/zinc/87/73/01/1143877301.db2.gz DXRCVBUSLIORCQ-UHFFFAOYSA-N 0 3 307.438 2.028 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2c(c1)CCC2)CCOC ZINC001279055808 1143957930 /nfs/dbraw/zinc/95/79/30/1143957930.db2.gz BECLYVDVZDGNSG-UHFFFAOYSA-N 0 3 316.445 2.430 20 30 DEEDHN CCCCCCC[C@@H](C)N1CCC[C@H]1C(=O)NCC(=O)OC ZINC001258049257 1143969125 /nfs/dbraw/zinc/96/91/25/1143969125.db2.gz CNWPQBJLRAKVLC-CABCVRRESA-N 0 3 312.454 2.489 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)c1ccccc1Br ZINC001261436949 1144247304 /nfs/dbraw/zinc/24/73/04/1144247304.db2.gz POBREPWUSKMANJ-MFKMUULPSA-N 0 3 300.196 2.273 20 30 DEEDHN C=CCCN1CCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001261283021 1144230381 /nfs/dbraw/zinc/23/03/81/1144230381.db2.gz CFTQXAHKMUNZML-OAHLLOKOSA-N 0 3 304.438 2.117 20 30 DEEDHN C#CCN(C(=O)[C@H](C)OC1CCCCC1)C1CCN(C)CC1 ZINC001262491594 1144315829 /nfs/dbraw/zinc/31/58/29/1144315829.db2.gz IOFNYCFDIRCFPG-HNNXBMFYSA-N 0 3 306.450 2.280 20 30 DEEDHN C=CCN(CC=C)c1nnc([C@H]2CCCN(C)C2)n1CC=C ZINC001262941625 1144343778 /nfs/dbraw/zinc/34/37/78/1144343778.db2.gz PKZGQNHCGJFMFL-HNNXBMFYSA-N 0 3 301.438 2.452 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC001263113399 1144356953 /nfs/dbraw/zinc/35/69/53/1144356953.db2.gz HYPVTSJUVIBVHM-IAGOWNOFSA-N 0 3 302.418 2.140 20 30 DEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc(F)ccc1OC ZINC001263199958 1144360826 /nfs/dbraw/zinc/36/08/26/1144360826.db2.gz WCLYBWPOCHJTKV-KBPBESRZSA-N 0 3 307.369 2.423 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001263827896 1144404087 /nfs/dbraw/zinc/40/40/87/1144404087.db2.gz SLBWTNLMTOHYGA-TXEJJXNPSA-N 0 3 309.435 2.102 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001263840577 1144408079 /nfs/dbraw/zinc/40/80/79/1144408079.db2.gz LFYVQYAEKXQWTR-KDYLLFBJSA-N 0 3 317.408 2.399 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001263840982 1144408254 /nfs/dbraw/zinc/40/82/54/1144408254.db2.gz XKFYONOBJMPEDZ-JNSHFYNHSA-N 0 3 305.397 2.417 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001264108662 1144468379 /nfs/dbraw/zinc/46/83/79/1144468379.db2.gz PVUCEGRLFZFSJK-UHFFFAOYSA-N 0 3 322.836 2.302 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCCC[C@@H](NCC(=O)NCC)C1 ZINC001264123111 1144475905 /nfs/dbraw/zinc/47/59/05/1144475905.db2.gz ZVNVMXIAIITJBG-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001264310060 1144511020 /nfs/dbraw/zinc/51/10/20/1144511020.db2.gz NKXHPCLTWIBKRD-CABCVRRESA-N 0 3 308.447 2.106 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001264382130 1144523030 /nfs/dbraw/zinc/52/30/30/1144523030.db2.gz DWCZZDXKKOVMON-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1scnc1C(F)(F)F ZINC001280821742 1144585712 /nfs/dbraw/zinc/58/57/12/1144585712.db2.gz ISZHARMIXVFZBM-UHFFFAOYSA-N 0 3 319.352 2.189 20 30 DEEDHN C=CCOCC(=O)N1CCCCC[C@@H](NCc2cncs2)C1 ZINC001264672621 1144589572 /nfs/dbraw/zinc/58/95/72/1144589572.db2.gz GTJBOEBPMXYOMX-CQSZACIVSA-N 0 3 323.462 2.207 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCCC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001264679493 1144590917 /nfs/dbraw/zinc/59/09/17/1144590917.db2.gz GASOHBCEFJZKGI-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)[C@H]1C ZINC001264711655 1144598635 /nfs/dbraw/zinc/59/86/35/1144598635.db2.gz JQYWVOPKSLJRRX-UPJWGTAASA-N 0 3 322.371 2.357 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001264984777 1144619773 /nfs/dbraw/zinc/61/97/73/1144619773.db2.gz AKBGPOFMUNDNQA-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN CN(CCCNC(=O)CCCF)Cc1ccc(C#N)c(F)c1 ZINC001265022932 1144626602 /nfs/dbraw/zinc/62/66/02/1144626602.db2.gz PSUANFDXKKIUFB-UHFFFAOYSA-N 0 3 309.360 2.385 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cn(C)nc1C(C)C)C1CC1 ZINC001265182760 1144662683 /nfs/dbraw/zinc/66/26/83/1144662683.db2.gz OOPOSMFCOGPHAM-UHFFFAOYSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ncccn2)C1 ZINC001265229228 1144672462 /nfs/dbraw/zinc/67/24/62/1144672462.db2.gz SGGOXRXZVAQSSF-OAHLLOKOSA-N 0 3 302.422 2.417 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1)c1ccncc1 ZINC001265463376 1144705391 /nfs/dbraw/zinc/70/53/91/1144705391.db2.gz XTOVJYDXUGYKJI-IYARVYRRSA-N 0 3 323.371 2.123 20 30 DEEDHN C[C@H](C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)C(F)(F)F ZINC001265491213 1144706900 /nfs/dbraw/zinc/70/69/00/1144706900.db2.gz SXXNIXNYJCNRGF-BPLDGKMQSA-N 0 3 324.346 2.473 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cn(C)nc2C(F)F)C1 ZINC001265531144 1144709898 /nfs/dbraw/zinc/70/98/98/1144709898.db2.gz AEQQIHQNFDCKFI-TXEJJXNPSA-N 0 3 312.364 2.061 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ccn2)C1 ZINC001265554779 1144711756 /nfs/dbraw/zinc/71/17/56/1144711756.db2.gz ZFXFQROZLGFJGW-OKILXGFUSA-N 0 3 303.406 2.183 20 30 DEEDHN C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001265679878 1144726675 /nfs/dbraw/zinc/72/66/75/1144726675.db2.gz IVXVTKMVBSQPEO-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1cc(F)c(C)cc1F ZINC001265894958 1144752044 /nfs/dbraw/zinc/75/20/44/1144752044.db2.gz GPQNVPAGFDKFIC-UHFFFAOYSA-N 0 3 308.372 2.277 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001265949359 1144766295 /nfs/dbraw/zinc/76/62/95/1144766295.db2.gz KBDCXOYPNWPHRI-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C1(C2CCCCC2)CC1 ZINC001265962094 1144770627 /nfs/dbraw/zinc/77/06/27/1144770627.db2.gz QIPKZEKZGCCGKP-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)C[C@@H](F)CC)cn1 ZINC001266102815 1144805713 /nfs/dbraw/zinc/80/57/13/1144805713.db2.gz JNMGVKZYQAMIQH-HNNXBMFYSA-N 0 3 305.397 2.253 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ncn3ccc(C)cc23)C1 ZINC001266105033 1144805730 /nfs/dbraw/zinc/80/57/30/1144805730.db2.gz FKUSXHIOVIBXNV-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN CC#CCN(CCCNC(=O)C[C@H](C)[C@H]1CCCO1)C1CC1 ZINC001266171839 1144811520 /nfs/dbraw/zinc/81/15/20/1144811520.db2.gz MXVABQDEHHQNAQ-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(CCCNC(=O)C[C@@H](C)[C@@H]1CCCO1)C1CC1 ZINC001266171842 1144811613 /nfs/dbraw/zinc/81/16/13/1144811613.db2.gz MXVABQDEHHQNAQ-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)c2cocc2C)CC1 ZINC001279147172 1144818873 /nfs/dbraw/zinc/81/88/73/1144818873.db2.gz YHEJGLQLYQCNKR-HNNXBMFYSA-N 0 3 318.417 2.068 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CN(Cc3c(C)noc3CC)C[C@H]2C1 ZINC001279347661 1144820913 /nfs/dbraw/zinc/82/09/13/1144820913.db2.gz QWZMHGRWUYNGAZ-GASCZTMLSA-N 0 3 317.433 2.402 20 30 DEEDHN C=CCCCN1CCC[C@@](CO)(NC(=O)c2cocc2C)C1 ZINC001279499821 1144823261 /nfs/dbraw/zinc/82/32/61/1144823261.db2.gz MIJMTPMPODJGRV-QGZVFWFLSA-N 0 3 306.406 2.111 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@]1(CO)CCCN(CC)C1)c1ccccc1 ZINC001279530921 1144823979 /nfs/dbraw/zinc/82/39/79/1144823979.db2.gz XNRRXOAVEIEQNL-QFBILLFUSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001280305782 1144835321 /nfs/dbraw/zinc/83/53/21/1144835321.db2.gz MBTHUBCXLITBPJ-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1 ZINC001280350471 1144836219 /nfs/dbraw/zinc/83/62/19/1144836219.db2.gz JYOOOJHVMRCZJG-ZDUSSCGKSA-N 0 3 322.412 2.112 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2cscn2)cc1 ZINC001280354559 1144836317 /nfs/dbraw/zinc/83/63/17/1144836317.db2.gz QFONUJWDVLNBAK-ZDUSSCGKSA-N 0 3 313.426 2.286 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCn2ccnc2)cc1 ZINC001280355167 1144836561 /nfs/dbraw/zinc/83/65/61/1144836561.db2.gz YOCRLCPNJNELRM-MRXNPFEDSA-N 0 3 324.428 2.264 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(F)c3ncccc3c2)CCC1 ZINC001280521150 1144843632 /nfs/dbraw/zinc/84/36/32/1144843632.db2.gz CAWIKRYXNZYCJO-UHFFFAOYSA-N 0 3 311.360 2.249 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNC/C=C\Cl)C1 ZINC001280628346 1144847289 /nfs/dbraw/zinc/84/72/89/1144847289.db2.gz JCVFQIWHFUTWHL-ONHQGNBLSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001280708983 1144850203 /nfs/dbraw/zinc/85/02/03/1144850203.db2.gz MMUNAMIJVBAAPQ-GFCCVEGCSA-N 0 3 308.344 2.112 20 30 DEEDHN Cc1nc(C)c(CN2CCC[C@@H](NC(=O)C#CC(C)C)CC2)o1 ZINC001280734891 1144851585 /nfs/dbraw/zinc/85/15/85/1144851585.db2.gz ZKWKVNOCPIIFFN-MRXNPFEDSA-N 0 3 317.433 2.422 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)CC[C@@H]2CCCCO2)CC1 ZINC001280758765 1144853524 /nfs/dbraw/zinc/85/35/24/1144853524.db2.gz FDAMITUYGMBGEX-IRXDYDNUSA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001281169753 1144875773 /nfs/dbraw/zinc/87/57/73/1144875773.db2.gz YQUWNYPZJWXQHX-VQIMIIECSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cncs2)C1 ZINC001281390235 1144886580 /nfs/dbraw/zinc/88/65/80/1144886580.db2.gz ZXIOFLJILMKGHQ-HIFRSBDPSA-N 0 3 323.462 2.062 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccc(F)cc2)C[C@@H]1C ZINC001281687350 1144908335 /nfs/dbraw/zinc/90/83/35/1144908335.db2.gz XKQSAACYHIFHNO-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN CC#CCCCC(=O)NCC[C@H](C)NCc1snnc1C ZINC001281741889 1144911425 /nfs/dbraw/zinc/91/14/25/1144911425.db2.gz YTPKQTWQEOCLRF-LBPRGKRZSA-N 0 3 308.451 2.025 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]1CN(C)CCc1ccns1 ZINC001281932060 1144920799 /nfs/dbraw/zinc/92/07/99/1144920799.db2.gz IDIAUOPJVPNHKL-HNNXBMFYSA-N 0 3 319.474 2.268 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)CCc1ccns1 ZINC001281932062 1144920871 /nfs/dbraw/zinc/92/08/71/1144920871.db2.gz IDIAUOPJVPNHKL-OAHLLOKOSA-N 0 3 319.474 2.268 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001281939870 1144921324 /nfs/dbraw/zinc/92/13/24/1144921324.db2.gz MLRGABHPZJXMAQ-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN CCOc1cccc(CN[C@H](C)[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001282130277 1144995153 /nfs/dbraw/zinc/99/51/53/1144995153.db2.gz WOVUJESCEHSJDA-HUUCEWRRSA-N 0 3 317.433 2.123 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)Cc1ccc(F)cc1 ZINC001282378507 1145053778 /nfs/dbraw/zinc/05/37/78/1145053778.db2.gz RGMHIOHOTQAHEK-DYVFJYSZSA-N 0 3 308.397 2.089 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001282411924 1145063748 /nfs/dbraw/zinc/06/37/48/1145063748.db2.gz LAYYDMXTVRXKLI-YOEHRIQHSA-N 0 3 302.418 2.427 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)N(C)C[C@@H]1CC(C)(C)CO1 ZINC001282444349 1145069972 /nfs/dbraw/zinc/06/99/72/1145069972.db2.gz PMMYDSUBSDZYMB-HOTGVXAUSA-N 0 3 308.466 2.432 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)C1CC2(CC2)C1 ZINC001282648422 1145109480 /nfs/dbraw/zinc/10/94/80/1145109480.db2.gz VZHABENDQFGPBD-INIZCTEOSA-N 0 3 306.450 2.091 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001282676657 1145121141 /nfs/dbraw/zinc/12/11/41/1145121141.db2.gz UKKZBGHSBUEQGF-SJORKVTESA-N 0 3 316.449 2.218 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCc1c(C)noc1C ZINC001282678619 1145124442 /nfs/dbraw/zinc/12/44/42/1145124442.db2.gz XBMSKXJJNDMUTB-MRXNPFEDSA-N 0 3 317.433 2.218 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc(OC)cc2)C1 ZINC001282738657 1145156876 /nfs/dbraw/zinc/15/68/76/1145156876.db2.gz QSAROLDEHYPLGU-AWEZNQCLSA-N 0 3 302.418 2.250 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2nccs2)C(C)(C)C1 ZINC001282833179 1145173413 /nfs/dbraw/zinc/17/34/13/1145173413.db2.gz IZWFILLSBGOTDP-ZDUSSCGKSA-N 0 3 307.463 2.478 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001282834915 1145174630 /nfs/dbraw/zinc/17/46/30/1145174630.db2.gz WTQBDVILYZLQFD-IAGOWNOFSA-N 0 3 315.461 2.302 20 30 DEEDHN COC(=O)CCCN(CCO[C@@H](C)C#N)Cc1ccccc1 ZINC001364358400 1145194005 /nfs/dbraw/zinc/19/40/05/1145194005.db2.gz IFLNPZDCHSFTES-HNNXBMFYSA-N 0 3 304.390 2.370 20 30 DEEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)c1cccnc1 ZINC001316625040 1145326638 /nfs/dbraw/zinc/32/66/38/1145326638.db2.gz QKVOBEUPEKESJA-UAPYVXQJSA-N 0 3 319.408 2.231 20 30 DEEDHN C=CCCCC(=O)N1CCC(N(C)CC(=O)NCC(C)C)CC1 ZINC001283325739 1145363016 /nfs/dbraw/zinc/36/30/16/1145363016.db2.gz PZLFUNHWKVCTNY-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC001364689024 1145467015 /nfs/dbraw/zinc/46/70/15/1145467015.db2.gz JERCKZJJWIIHAM-MSOLQXFVSA-N 0 3 300.402 2.483 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H](CNCCF)C2CC2)CCOCC1 ZINC001283553775 1145516990 /nfs/dbraw/zinc/51/69/90/1145516990.db2.gz BJKCDPNEOGGTJN-OAHLLOKOSA-N 0 3 312.429 2.155 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCOc1ccccc1CC ZINC001283704926 1145601350 /nfs/dbraw/zinc/60/13/50/1145601350.db2.gz ZHPLGVVJRNFORD-INIZCTEOSA-N 0 3 316.445 2.478 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C[C@H](C)c1ccccc1 ZINC001283706005 1145603399 /nfs/dbraw/zinc/60/33/99/1145603399.db2.gz RNVKAKNFGQVDKM-DLBZAZTESA-N 0 3 316.445 2.267 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)NCc1ccc(C2CC2)cc1 ZINC001283792894 1145649065 /nfs/dbraw/zinc/64/90/65/1145649065.db2.gz PJAYQRJKMHIUQM-QGZVFWFLSA-N 0 3 316.445 2.343 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CO)NCc2ccccc2C)CC1 ZINC001283804712 1145651603 /nfs/dbraw/zinc/65/16/03/1145651603.db2.gz SABDQZOHBKKQDY-GOSISDBHSA-N 0 3 316.445 2.308 20 30 DEEDHN Cc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)c(C)n1 ZINC001283981317 1145735787 /nfs/dbraw/zinc/73/57/87/1145735787.db2.gz DYYDHJUWTXJSKZ-MAUKXSAKSA-N 0 3 313.445 2.437 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)COCC3CCCC3)CCC[C@@H]12 ZINC001284057997 1145779002 /nfs/dbraw/zinc/77/90/02/1145779002.db2.gz ONMRCTUMXRJEFN-MJGOQNOKSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2ccnn2C)[C@H]1C ZINC001284129171 1145804457 /nfs/dbraw/zinc/80/44/57/1145804457.db2.gz GWUJRQGWEWPFFB-GOEBONIOSA-N 0 3 318.465 2.144 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)CCC2CCCC2)CC1(C)C ZINC001284259034 1145827521 /nfs/dbraw/zinc/82/75/21/1145827521.db2.gz CRIDABIWTMULNR-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001284299593 1145832544 /nfs/dbraw/zinc/83/25/44/1145832544.db2.gz DQXNUKUNYWYULZ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001284450718 1145857232 /nfs/dbraw/zinc/85/72/32/1145857232.db2.gz XJDLWLXMOPTKPR-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC001284506861 1145864562 /nfs/dbraw/zinc/86/45/62/1145864562.db2.gz XCVHSPNQZVQSNE-INIZCTEOSA-N 0 3 304.434 2.150 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(C(C)C)nn1C)C(C)C ZINC001284553615 1145870556 /nfs/dbraw/zinc/87/05/56/1145870556.db2.gz QKZNEXIPJLMYDG-UHFFFAOYSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cnnn1C)C(C)(C)C ZINC001284614576 1145879810 /nfs/dbraw/zinc/87/98/10/1145879810.db2.gz UBYKCSYAPMBADT-CQSZACIVSA-N 0 3 321.469 2.038 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CC(N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001284771434 1145905394 /nfs/dbraw/zinc/90/53/94/1145905394.db2.gz QTSAQJMWUAYEPG-HSBZDZAISA-N 0 3 319.453 2.363 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001287679666 1146710859 /nfs/dbraw/zinc/71/08/59/1146710859.db2.gz NSBJXTNYROCMOQ-HUUCEWRRSA-N 0 3 323.481 2.036 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C=CCN1CC[C@@](O)(CNC(=O)c2ccccc2C(C)C)C1 ZINC001325102078 1147876005 /nfs/dbraw/zinc/87/60/05/1147876005.db2.gz KOSGZFSLRCJKRF-GOSISDBHSA-N 0 3 302.418 2.163 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@H](O)COc2ccc(SC)cc2)C1 ZINC001325221484 1147885799 /nfs/dbraw/zinc/88/57/99/1147885799.db2.gz DCMQWBUQVJOWPA-HOCLYGCPSA-N 0 3 323.458 2.425 20 30 DEEDHN CC(=O)Nc1c(C)ccc(NC(=O)[C@@H](N)CCCC#N)c1C ZINC001325791081 1148000136 /nfs/dbraw/zinc/00/01/36/1148000136.db2.gz KHEMYKUZALERGV-ZDUSSCGKSA-N 0 3 302.378 2.222 20 30 DEEDHN C=CCCC(=O)N[C@]1(CO)CCCN(CC2=CCCCC2)C1 ZINC001325817866 1148003313 /nfs/dbraw/zinc/00/33/13/1148003313.db2.gz GDUOIWMEIZPJJP-GOSISDBHSA-N 0 3 306.450 2.396 20 30 DEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1(C(F)(F)F)CC1 ZINC001325901164 1148017279 /nfs/dbraw/zinc/01/72/79/1148017279.db2.gz VWXPFFJRKLDFNV-OLZOCXBDSA-N 0 3 314.351 2.418 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2nccc(C)n2)cc1 ZINC001326469044 1148108452 /nfs/dbraw/zinc/10/84/52/1148108452.db2.gz PQRHGQKWPHRDAN-OAHLLOKOSA-N 0 3 322.412 2.389 20 30 DEEDHN C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cnc[n-]c2=O)CC1 ZINC001326526084 1148132353 /nfs/dbraw/zinc/13/23/53/1148132353.db2.gz ZANYEOWYPATRLQ-HDJSIYSDSA-N 0 3 318.421 2.027 20 30 DEEDHN CC#CCNC1(CNC(=O)C(C)(C)[C@H]2CCCCO2)CCC1 ZINC001326823213 1148260867 /nfs/dbraw/zinc/26/08/67/1148260867.db2.gz TYTIXIAJVZGNSD-OAHLLOKOSA-N 0 3 306.450 2.234 20 30 DEEDHN CC1(CNC(=O)c2c[nH]c(C#N)c2)CCN(C/C=C/Cl)CC1 ZINC001368196554 1148319196 /nfs/dbraw/zinc/31/91/96/1148319196.db2.gz BEVUYIOYLKKUFJ-GORDUTHDSA-N 0 3 320.824 2.471 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001327143211 1148335560 /nfs/dbraw/zinc/33/55/60/1148335560.db2.gz NFZQJQOXPBIJLH-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CCOc2cccc(C)c2)CC1 ZINC001327164873 1148341281 /nfs/dbraw/zinc/34/12/81/1148341281.db2.gz XZRFBFCRHREIEO-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001327212580 1148348325 /nfs/dbraw/zinc/34/83/25/1148348325.db2.gz HPJOJIACKWESHL-IRXDYDNUSA-N 0 3 308.466 2.385 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000424136918 230600712 /nfs/dbraw/zinc/60/07/12/230600712.db2.gz ACFNLQWPLMSCPA-ZFWWWQNUSA-N 0 3 320.824 2.056 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCC[C@@H](C)C1 ZINC000612121484 361751955 /nfs/dbraw/zinc/75/19/55/361751955.db2.gz VWBBQCPNVYBQAV-BFYDXBDKSA-N 0 3 306.454 2.442 20 30 DEEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1c[nH]c(C#N)c1 ZINC000181244389 199270813 /nfs/dbraw/zinc/27/08/13/199270813.db2.gz AQRBWUKITMQEBX-UHFFFAOYSA-N 0 3 302.422 2.470 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(F)c1 ZINC000424126379 529486675 /nfs/dbraw/zinc/48/66/75/529486675.db2.gz SWVVIVUNUQHILD-DZGCQCFKSA-N 0 3 307.369 2.120 20 30 DEEDHN CC[C@H](C#N)NC(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339625458 529585521 /nfs/dbraw/zinc/58/55/21/529585521.db2.gz CIGLNIMNWOIZIV-VWYCJHECSA-N 0 3 305.344 2.314 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1cccc(C#N)c1 ZINC000613388729 362098125 /nfs/dbraw/zinc/09/81/25/362098125.db2.gz DDNRGAPRCOMMTB-KDOFPFPSSA-N 0 3 323.396 2.251 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H]2CCC[C@H]21 ZINC000625345780 365739627 /nfs/dbraw/zinc/73/96/27/365739627.db2.gz ZABQKQNHKQQFFP-WMLDXEAASA-N 0 3 308.381 2.160 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCC(F)(c2cccnc2)CC1 ZINC000375363559 529866801 /nfs/dbraw/zinc/86/68/01/529866801.db2.gz VILWJTDXNYVRQU-UHFFFAOYSA-N 0 3 318.396 2.104 20 30 DEEDHN CN(CCCNS(=O)(=O)CCCCC#N)Cc1ccccc1 ZINC000264169342 529891987 /nfs/dbraw/zinc/89/19/87/529891987.db2.gz VFCKVXWGACOKNF-UHFFFAOYSA-N 0 3 323.462 2.122 20 30 DEEDHN CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)Cc1ccco1 ZINC000286713631 219123817 /nfs/dbraw/zinc/12/38/17/219123817.db2.gz QNQGTMRFWHSQKG-UHFFFAOYSA-N 0 3 300.362 2.073 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000614401976 362372911 /nfs/dbraw/zinc/37/29/11/362372911.db2.gz URIQSWPVCRGMAZ-IBGZPJMESA-N 0 3 312.461 2.079 20 30 DEEDHN C=CCCOCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000147593790 539522517 /nfs/dbraw/zinc/52/25/17/539522517.db2.gz WGJDBALVWIAAMS-UHFFFAOYSA-N 0 3 312.479 2.057 20 30 DEEDHN COc1ccc(C)cc1CNC[C@H](C)N(C)C(=O)[C@H](C)C#N ZINC001421872188 1172073579 /nfs/dbraw/zinc/07/35/79/1172073579.db2.gz LPBVEODAYXCPLJ-KGLIPLIRSA-N 0 3 303.406 2.100 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H]1CCCN(C(C)=O)C1 ZINC000279631362 215020150 /nfs/dbraw/zinc/02/01/50/215020150.db2.gz BUMOAACLKHSXMB-MRXNPFEDSA-N 0 3 300.402 2.047 20 30 DEEDHN COc1cc(C#N)ccc1CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000181995454 199372481 /nfs/dbraw/zinc/37/24/81/199372481.db2.gz ZFXTVBVGHGEXBF-INIZCTEOSA-N 0 3 315.417 2.481 20 30 DEEDHN C[C@@H](O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272533263 209944965 /nfs/dbraw/zinc/94/49/65/209944965.db2.gz NKFCVMGSRSDURL-CJNGLKHVSA-N 0 3 310.401 2.161 20 30 DEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN(C)C ZINC000287157162 219347313 /nfs/dbraw/zinc/34/73/13/219347313.db2.gz WIMFMHWOGBABMY-LBPRGKRZSA-N 0 3 304.394 2.417 20 30 DEEDHN C=C[C@H](CC(=O)N[C@H]1CCN(CCOC)C1)c1ccccc1 ZINC000270457722 186395284 /nfs/dbraw/zinc/39/52/84/186395284.db2.gz WEPFJIPYIZIRKX-WBVHZDCISA-N 0 3 302.418 2.183 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@H]1CCN(CCOC)C1)c1ccccc1 ZINC000270457720 186395581 /nfs/dbraw/zinc/39/55/81/186395581.db2.gz WEPFJIPYIZIRKX-RDJZCZTQSA-N 0 3 302.418 2.183 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc(C)n2)CC1 ZINC000279662828 539810648 /nfs/dbraw/zinc/81/06/48/539810648.db2.gz YYMBTEHQLXERQV-UHFFFAOYSA-N 0 3 316.449 2.272 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1 ZINC000626045662 366022372 /nfs/dbraw/zinc/02/23/72/366022372.db2.gz WDNGRNUACLGVDK-KFWWJZLASA-N 0 3 322.474 2.354 20 30 DEEDHN CC(C)OC(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000172724840 198142332 /nfs/dbraw/zinc/14/23/32/198142332.db2.gz HPULMWIBUHKIGC-UHFFFAOYSA-N 0 3 315.417 2.412 20 30 DEEDHN CCc1nnsc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000329117302 539914413 /nfs/dbraw/zinc/91/44/13/539914413.db2.gz UKLXJDKAPBPBFJ-UHFFFAOYSA-N 0 3 324.450 2.050 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000329476949 539921859 /nfs/dbraw/zinc/92/18/59/539921859.db2.gz UHLDLTSGBWPMJT-JSGCOSHPSA-N 0 3 316.405 2.403 20 30 DEEDHN CCN1CC[C@H](Nc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000334132699 539976219 /nfs/dbraw/zinc/97/62/19/539976219.db2.gz VSGIDWXWDBPGKW-AWEZNQCLSA-N 0 3 323.444 2.990 20 30 DEEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1F ZINC000331984895 234351829 /nfs/dbraw/zinc/35/18/29/234351829.db2.gz UDBNESSXLCRDAT-HUUCEWRRSA-N 0 3 301.365 2.188 20 30 DEEDHN N#Cc1ccc(CNCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000174245275 198310478 /nfs/dbraw/zinc/31/04/78/198310478.db2.gz HADDDNHAEDDWPB-UHFFFAOYSA-N 0 3 324.428 2.059 20 30 DEEDHN CCCCN(CCCO)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000182140870 199392007 /nfs/dbraw/zinc/39/20/07/199392007.db2.gz SLJMFQWVSMWMMA-AWEZNQCLSA-N 0 3 303.406 2.370 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCCc1ccc(C#N)cc1 ZINC000595552905 358481483 /nfs/dbraw/zinc/48/14/83/358481483.db2.gz SIGBZZMNVADOKQ-OAHLLOKOSA-N 0 3 314.433 2.274 20 30 DEEDHN Cc1csc(C(C#N)C(=O)CSc2nc(C)cc(N)n2)n1 ZINC000023106338 354057551 /nfs/dbraw/zinc/05/75/51/354057551.db2.gz RIYPAJPSCREOHS-SECBINFHSA-N 0 3 319.415 2.101 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000617957466 363330436 /nfs/dbraw/zinc/33/04/36/363330436.db2.gz GUEOCDMXQAYALA-NVXWUHKLSA-N 0 3 304.438 2.339 20 30 DEEDHN COCCN(CCCN1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000063753456 354655376 /nfs/dbraw/zinc/65/53/76/354655376.db2.gz KHHMEJQDHHZQPF-UHFFFAOYSA-N 0 3 315.417 2.019 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000066921132 354739182 /nfs/dbraw/zinc/73/91/82/354739182.db2.gz ZEBUTIBINVNCET-UHFFFAOYSA-N 0 3 322.412 2.215 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccn1C ZINC000076332517 355142181 /nfs/dbraw/zinc/14/21/81/355142181.db2.gz RKZPFWVCJDEMPW-UHFFFAOYSA-N 0 3 310.401 2.101 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CCN1C ZINC000332615648 235200500 /nfs/dbraw/zinc/20/05/00/235200500.db2.gz BHYDJEWESGEKTM-DOMZBBRYSA-N 0 3 324.384 2.426 20 30 DEEDHN COC(=O)CCN(Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000078728005 355275754 /nfs/dbraw/zinc/27/57/54/355275754.db2.gz UJFONMUKGHQDFT-MRXNPFEDSA-N 0 3 302.374 2.102 20 30 DEEDHN Cc1cc(C)c(C#N)c(NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC000089603163 355538614 /nfs/dbraw/zinc/53/86/14/355538614.db2.gz YMYBXOHPUBBSNQ-OAHLLOKOSA-N 0 3 300.406 2.235 20 30 DEEDHN N#Cc1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nc1 ZINC000089645092 355539706 /nfs/dbraw/zinc/53/97/06/355539706.db2.gz AERYKRZUEYUIPS-SJORKVTESA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1cccc(CNC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000089798367 355543306 /nfs/dbraw/zinc/54/33/06/355543306.db2.gz YPAOOUJEILCLAN-UXHICEINSA-N 0 3 321.424 2.283 20 30 DEEDHN C=CCCC[C@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000091580772 355601004 /nfs/dbraw/zinc/60/10/04/355601004.db2.gz QXDHDDGEVLZWPM-HNNXBMFYSA-N 0 3 303.454 2.409 20 30 DEEDHN C#CCOc1ccccc1CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000093870389 355688935 /nfs/dbraw/zinc/68/89/35/355688935.db2.gz HMEXSZDKZHAMQW-MRXNPFEDSA-N 0 3 309.413 2.497 20 30 DEEDHN Cc1cscc1CNC[C@@H](O)COc1ccccc1C#N ZINC000094881096 355696047 /nfs/dbraw/zinc/69/60/47/355696047.db2.gz SRGRDVMQNHWKEU-OAHLLOKOSA-N 0 3 302.399 2.458 20 30 DEEDHN C[C@H](NCC(=O)NCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185804293 356211821 /nfs/dbraw/zinc/21/18/21/356211821.db2.gz FOFNHKTZSBIYLI-MNOVXSKESA-N 0 3 313.323 2.427 20 30 DEEDHN COc1ccccc1COC[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595609484 358500808 /nfs/dbraw/zinc/50/08/08/358500808.db2.gz KROQVJSNSSUSPO-NVXWUHKLSA-N 0 3 318.417 2.198 20 30 DEEDHN CCN(C)C[C@H](O)COc1ccc(Br)cc1C#N ZINC000386183049 356694096 /nfs/dbraw/zinc/69/40/96/356694096.db2.gz ULPPTMYVLDWGLW-LBPRGKRZSA-N 0 3 313.195 2.012 20 30 DEEDHN COc1ccccc1[C@H](CNc1ccnc(C#N)n1)N1CCCC1 ZINC000581617724 357218003 /nfs/dbraw/zinc/21/80/03/357218003.db2.gz AXASOZIXYBEDAQ-HNNXBMFYSA-N 0 3 323.400 2.028 20 30 DEEDHN CCN(CCN1CCCCCC1)C(=O)Cc1noc(C)c1C#N ZINC000588188201 357400979 /nfs/dbraw/zinc/40/09/79/357400979.db2.gz GIJHLXSIEDXZQA-UHFFFAOYSA-N 0 3 318.421 2.122 20 30 DEEDHN CNC(=O)[C@H](CCSC)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000588323828 357407586 /nfs/dbraw/zinc/40/75/86/357407586.db2.gz RLHBDTIRTGSQND-CVEARBPZSA-N 0 3 317.458 2.393 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)[C@@H](c1ccccc1)N(C)C ZINC000588721167 357419911 /nfs/dbraw/zinc/41/99/11/357419911.db2.gz RSOBUFARNFTJPU-JLJPHGGASA-N 0 3 318.396 2.325 20 30 DEEDHN CC(C)(CCC#N)CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000588754117 357420621 /nfs/dbraw/zinc/42/06/21/357420621.db2.gz SAHNHBCCBOYRSH-UHFFFAOYSA-N 0 3 315.421 2.243 20 30 DEEDHN CC(C)[C@H](NCCOc1ccccc1C#N)[C@H](O)C(F)(F)F ZINC000589162104 357448060 /nfs/dbraw/zinc/44/80/60/357448060.db2.gz HSHJNJOGEPFMGN-KBPBESRZSA-N 0 3 316.323 2.474 20 30 DEEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000590603025 357565437 /nfs/dbraw/zinc/56/54/37/357565437.db2.gz KUULNTHNKMCEIU-IPMKNSEASA-N 0 3 313.445 2.420 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000590923444 357644493 /nfs/dbraw/zinc/64/44/93/357644493.db2.gz QUAJPRRGYGZWQU-HNNXBMFYSA-N 0 3 318.396 2.321 20 30 DEEDHN Cc1cc(C#N)ccc1CN(C)C(C)(C)CN1CCOCC1 ZINC000591061075 357668344 /nfs/dbraw/zinc/66/83/44/357668344.db2.gz PTHJWEDTCBMFJW-UHFFFAOYSA-N 0 3 301.434 2.409 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000591603809 357741363 /nfs/dbraw/zinc/74/13/63/357741363.db2.gz PKHYOZWZXKHMBY-QWHCGFSZSA-N 0 3 317.393 2.022 20 30 DEEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@@H](O)CN(C)CCC#N ZINC000591728030 357754539 /nfs/dbraw/zinc/75/45/39/357754539.db2.gz FEMPMOSHORKAFE-GDBMZVCRSA-N 0 3 319.449 2.398 20 30 DEEDHN N#CCCCNC[C@H](O)COc1cccc(Br)c1 ZINC000591759449 357757677 /nfs/dbraw/zinc/75/76/77/357757677.db2.gz OEOAXTMPSGIIMR-LBPRGKRZSA-N 0 3 313.195 2.082 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](O)C(F)(F)F ZINC000591785394 357761229 /nfs/dbraw/zinc/76/12/29/357761229.db2.gz MHSFIVXVJNKPII-CYZMBNFOSA-N 0 3 314.307 2.187 20 30 DEEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000592147351 357840012 /nfs/dbraw/zinc/84/00/12/357840012.db2.gz OMTBZQYBRXTCLZ-HNNXBMFYSA-N 0 3 307.781 2.019 20 30 DEEDHN COC(=O)[C@H]1CCCCCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000276748638 213083627 /nfs/dbraw/zinc/08/36/27/213083627.db2.gz KLKAJVMSXHHOSZ-HOTGVXAUSA-N 0 3 303.406 2.498 20 30 DEEDHN N#Cc1cnccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593055500 357997348 /nfs/dbraw/zinc/99/73/48/357997348.db2.gz KWODWJQQEYKATG-GHMZBOCLSA-N 0 3 313.279 2.061 20 30 DEEDHN C=C(C)CN1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000593044733 357994746 /nfs/dbraw/zinc/99/47/46/357994746.db2.gz AYFVATWGKJJWGP-CQSZACIVSA-N 0 3 322.449 2.217 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC2(C3CCC3)CC2)cc1 ZINC000593079331 358003187 /nfs/dbraw/zinc/00/31/87/358003187.db2.gz GJTAERBXFJJTQX-UHFFFAOYSA-N 0 3 304.415 2.254 20 30 DEEDHN CC[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)C(=O)OC ZINC000593183783 358029390 /nfs/dbraw/zinc/02/93/90/358029390.db2.gz JJNVBTMQKCDYOE-QGZVFWFLSA-N 0 3 315.417 2.064 20 30 DEEDHN CC[C@@H](C#N)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000593459979 358083337 /nfs/dbraw/zinc/08/33/37/358083337.db2.gz YDHPNMOVRAEPSB-AWEZNQCLSA-N 0 3 307.438 2.076 20 30 DEEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1ccc(OC)c(OC)c1 ZINC000594428043 358266824 /nfs/dbraw/zinc/26/68/24/358266824.db2.gz JHEBWUBOBMCSSD-CQSZACIVSA-N 0 3 319.405 2.468 20 30 DEEDHN COC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1C ZINC000594434623 358269787 /nfs/dbraw/zinc/26/97/87/358269787.db2.gz QIEGFMFDZZWHJC-CQSZACIVSA-N 0 3 303.362 2.131 20 30 DEEDHN N#Cc1ccc(-c2cn(CCCN3CCSCC3)nn2)cc1 ZINC000594655062 358312066 /nfs/dbraw/zinc/31/20/66/358312066.db2.gz VYAXQURQMURYBB-UHFFFAOYSA-N 0 3 313.430 2.256 20 30 DEEDHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000180635608 199188964 /nfs/dbraw/zinc/18/89/64/199188964.db2.gz QHRPVYDNEKAUQN-CYBMUJFWSA-N 0 3 309.797 2.147 20 30 DEEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)[C@]1(O)CCCOC1 ZINC000594997561 358375853 /nfs/dbraw/zinc/37/58/53/358375853.db2.gz ZPBACJTVHOZXTJ-KRWDZBQOSA-N 0 3 306.381 2.355 20 30 DEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cncc(Br)c1 ZINC000595016665 358378183 /nfs/dbraw/zinc/37/81/83/358378183.db2.gz IJQQPBHIEBJQKY-LLVKDONJSA-N 0 3 323.238 2.483 20 30 DEEDHN COc1cccc([C@]2(C)CCN(C(=O)[C@@H](N)CCCC#N)C2)c1 ZINC000595257427 358406887 /nfs/dbraw/zinc/40/68/87/358406887.db2.gz LBQBRXIEFDEOOF-FUHWJXTLSA-N 0 3 315.417 2.206 20 30 DEEDHN COc1cccc([C@]2(C)CCN(C(=O)[C@H](N)CCCC#N)C2)c1 ZINC000595257428 358407223 /nfs/dbraw/zinc/40/72/23/358407223.db2.gz LBQBRXIEFDEOOF-SJLPKXTDSA-N 0 3 315.417 2.206 20 30 DEEDHN CCN(CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618810154 363609026 /nfs/dbraw/zinc/60/90/26/363609026.db2.gz SXMMNBCLKJWZSB-KRWDZBQOSA-N 0 3 312.417 2.329 20 30 DEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000595661312 358515354 /nfs/dbraw/zinc/51/53/54/358515354.db2.gz YGXNDMQDAGMEFV-WDEREUQCSA-N 0 3 321.343 2.051 20 30 DEEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595314462 358421216 /nfs/dbraw/zinc/42/12/16/358421216.db2.gz ZNMMRCOZWHJSLY-MRXNPFEDSA-N 0 3 322.449 2.219 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618811661 363610490 /nfs/dbraw/zinc/61/04/90/363610490.db2.gz AQSUYCOIFFQFMO-YOEHRIQHSA-N 0 3 312.417 2.187 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCN1C ZINC000618816000 363611548 /nfs/dbraw/zinc/61/15/48/363611548.db2.gz XLDZZHOXPMUJPS-PVUWLOKVSA-N 0 3 312.417 2.327 20 30 DEEDHN COc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1C#N ZINC000595829633 358558420 /nfs/dbraw/zinc/55/84/20/358558420.db2.gz RZKVDQNQHVKCBY-OAHLLOKOSA-N 0 3 313.401 2.011 20 30 DEEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@]1(C)CO ZINC000595871050 358568115 /nfs/dbraw/zinc/56/81/15/358568115.db2.gz HOAZJRDMHFELAC-LIRRHRJNSA-N 0 3 324.428 2.409 20 30 DEEDHN CO[C@H](C)CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000181069109 199247487 /nfs/dbraw/zinc/24/74/87/199247487.db2.gz SAKCAZGRZHMPGB-OAHLLOKOSA-N 0 3 317.433 2.264 20 30 DEEDHN CCC[C@H]1CN(c2nc(C#N)ccc2C)CCN1CCOC ZINC000596176232 358630608 /nfs/dbraw/zinc/63/06/08/358630608.db2.gz BMIJEMKSBDZWLO-INIZCTEOSA-N 0 3 302.422 2.199 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000596673114 358737660 /nfs/dbraw/zinc/73/76/60/358737660.db2.gz MAIMSDWRQJUEGT-UHFFFAOYSA-N 0 3 314.433 2.226 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2C[C@H](C(=O)OC)C2)cc1OC ZINC000597245220 358868080 /nfs/dbraw/zinc/86/80/80/358868080.db2.gz XPUGVHWFQYONRM-HDJSIYSDSA-N 0 3 305.374 2.301 20 30 DEEDHN CS[C@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H]1N(C)C ZINC000597444430 358919313 /nfs/dbraw/zinc/91/93/13/358919313.db2.gz ACSSSXPNGDPSRR-KGLIPLIRSA-N 0 3 309.479 2.355 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000598510294 359225414 /nfs/dbraw/zinc/22/54/14/359225414.db2.gz OWQUSZIUVHJBTF-XJKSGUPXSA-N 0 3 302.374 2.158 20 30 DEEDHN CC(C)OC(=O)C[C@@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598604209 359259151 /nfs/dbraw/zinc/25/91/51/359259151.db2.gz KHBRIGWNAMKMKM-GJZGRUSLSA-N 0 3 310.438 2.341 20 30 DEEDHN Cc1cccc(N2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598584359 359250184 /nfs/dbraw/zinc/25/01/84/359250184.db2.gz KHQPVEDDGGRSFM-KRWDZBQOSA-N 0 3 301.434 2.418 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C[C@H](O)CC(C)(C)C#N ZINC000598594779 359255143 /nfs/dbraw/zinc/25/51/43/359255143.db2.gz JSCZVSBCYXONJU-OWCLPIDISA-N 0 3 309.454 2.008 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000598598434 359256463 /nfs/dbraw/zinc/25/64/63/359256463.db2.gz FIAPHSMUWWHXIC-PMPSAXMXSA-N 0 3 306.381 2.234 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(-n2ccnc2)c(F)c1 ZINC000598701775 359297996 /nfs/dbraw/zinc/29/79/96/359297996.db2.gz YTINEJVPEQKBRI-AWEZNQCLSA-N 0 3 316.380 2.402 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000598719400 359304396 /nfs/dbraw/zinc/30/43/96/359304396.db2.gz HTKJZUWGFSLYNQ-CYBMUJFWSA-N 0 3 309.797 2.169 20 30 DEEDHN CN(C)C(=O)Nc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598718163 359304598 /nfs/dbraw/zinc/30/45/98/359304598.db2.gz CGJIWEWGKPEFJP-OAHLLOKOSA-N 0 3 318.421 2.170 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC(C)(C)CC[C@@H]1CO ZINC000598646242 359274106 /nfs/dbraw/zinc/27/41/06/359274106.db2.gz DERLYWJOPMGCFO-OAHLLOKOSA-N 0 3 318.417 2.429 20 30 DEEDHN N#Cc1cnc2c(Cl)cccc2c1NCCN1CC[C@@H](O)C1 ZINC000599176413 359425538 /nfs/dbraw/zinc/42/55/38/359425538.db2.gz UBFLANVILXIDGV-GFCCVEGCSA-N 0 3 316.792 2.238 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccco2)C1 ZINC000599290756 359451488 /nfs/dbraw/zinc/45/14/88/359451488.db2.gz ANARBDJNTKYTOQ-CVEARBPZSA-N 0 3 312.369 2.380 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)C1CCCC1 ZINC000427977140 237049947 /nfs/dbraw/zinc/04/99/47/237049947.db2.gz XRLCTPHWWSCZPW-IAGOWNOFSA-N 0 3 300.402 2.426 20 30 DEEDHN CC(C)[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCS1 ZINC000599303395 359456680 /nfs/dbraw/zinc/45/66/80/359456680.db2.gz OZALMODZJHTZIH-NVXWUHKLSA-N 0 3 320.458 2.371 20 30 DEEDHN CC(C)[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CCS1 ZINC000599303393 359456698 /nfs/dbraw/zinc/45/66/98/359456698.db2.gz OZALMODZJHTZIH-DOTOQJQBSA-N 0 3 320.458 2.371 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000667592025 540481672 /nfs/dbraw/zinc/48/16/72/540481672.db2.gz HLNXAYVMHYHHDK-WMZOPIPTSA-N 0 3 302.418 2.185 20 30 DEEDHN Cc1sc(NC(=O)CN(C)CCN(C)C2CC2)c(C#N)c1C ZINC000186748724 200003533 /nfs/dbraw/zinc/00/35/33/200003533.db2.gz UYUDUGXUWYXQND-UHFFFAOYSA-N 0 3 320.462 2.201 20 30 DEEDHN CCN(CCNC(=O)Nc1cc(OC)c(C#N)cc1F)C1CC1 ZINC000599816897 359604296 /nfs/dbraw/zinc/60/42/96/359604296.db2.gz KGJPLBHYEHFNDQ-UHFFFAOYSA-N 0 3 320.368 2.312 20 30 DEEDHN N#Cc1cc(Cl)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000187132149 200066860 /nfs/dbraw/zinc/06/68/60/200066860.db2.gz QANPBUVJPPVEFN-CQSZACIVSA-N 0 3 319.836 2.366 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000187727034 200150450 /nfs/dbraw/zinc/15/04/50/200150450.db2.gz ZXNPBZACQWQYDG-KBPBESRZSA-N 0 3 305.447 2.281 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncn3ccc(C)cc23)CC1 ZINC000668370318 540656040 /nfs/dbraw/zinc/65/60/40/540656040.db2.gz UTUDGVGXUUZAMS-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000329842393 404469687 /nfs/dbraw/zinc/46/96/87/404469687.db2.gz KIQAMEOCUUFUGD-UONOGXRCSA-N 0 3 320.437 2.103 20 30 DEEDHN Cc1cccc(CN2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC000601240745 359977995 /nfs/dbraw/zinc/97/79/95/359977995.db2.gz PIYBTFLFDIPWMY-INIZCTEOSA-N 0 3 308.385 2.199 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CNc1cccc(CN(C)C)c1 ZINC000601935964 360198348 /nfs/dbraw/zinc/19/83/48/360198348.db2.gz VAWYQJBPHWGQPV-CQSZACIVSA-N 0 3 302.422 2.168 20 30 DEEDHN N#Cc1ccc(N2CCN(CC3CCSCC3)CC2)nc1 ZINC000602441676 360373590 /nfs/dbraw/zinc/37/35/90/360373590.db2.gz QOCZHPBVHSQJOL-UHFFFAOYSA-N 0 3 302.447 2.218 20 30 DEEDHN N#Cc1cccc(CNCC2(N3CCSCC3)CCCC2)n1 ZINC000602511749 360411017 /nfs/dbraw/zinc/41/10/17/360411017.db2.gz RFJUVWAGZGFHGP-UHFFFAOYSA-N 0 3 316.474 2.404 20 30 DEEDHN C=CCN1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602539354 360424159 /nfs/dbraw/zinc/42/41/59/360424159.db2.gz KEANLLOATFOVHH-UHFFFAOYSA-N 0 3 316.361 2.476 20 30 DEEDHN CC(=O)Nc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602638421 360471273 /nfs/dbraw/zinc/47/12/73/360471273.db2.gz CSDOMHLQQLBGNE-ZDUSSCGKSA-N 0 3 316.405 2.229 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2cccc(C#N)n2)C[C@@H]1c1ccccc1 ZINC000602687845 360498056 /nfs/dbraw/zinc/49/80/56/360498056.db2.gz MXGYKYCKVHVCHR-QZTJIDSGSA-N 0 3 321.380 2.342 20 30 DEEDHN N#C[C@@H]1CC[C@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000442836362 238084769 /nfs/dbraw/zinc/08/47/69/238084769.db2.gz HABMVBVFOHEIMS-CABCVRRESA-N 0 3 319.430 2.008 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1N(C)C ZINC000603071536 360689532 /nfs/dbraw/zinc/68/95/32/360689532.db2.gz BLVLQYFZKQSHHB-KGLIPLIRSA-N 0 3 322.409 2.207 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccnc(C#N)c1 ZINC000603137243 360716643 /nfs/dbraw/zinc/71/66/43/360716643.db2.gz ZOXTYICDDONMEL-GFCCVEGCSA-N 0 3 301.394 2.147 20 30 DEEDHN CN(C(=O)c1cc2ccccc2n1CC#N)C1CCN(C)CC1 ZINC000609159303 361285570 /nfs/dbraw/zinc/28/55/70/361285570.db2.gz IMPGLRAMBIZNFZ-UHFFFAOYSA-N 0 3 310.401 2.331 20 30 DEEDHN N#C[C@@]1(NC(=O)c2ccc(CN3CCCC3)cc2)CCSC1 ZINC000609168877 361286762 /nfs/dbraw/zinc/28/67/62/361286762.db2.gz MAIAYEHTULDXIL-KRWDZBQOSA-N 0 3 315.442 2.411 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609383288 361308356 /nfs/dbraw/zinc/30/83/56/361308356.db2.gz TVVJNUICPANWCH-AWEZNQCLSA-N 0 3 310.401 2.236 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610707742 361449906 /nfs/dbraw/zinc/44/99/06/361449906.db2.gz IJKHATITHGWTFV-IIYDPXPESA-N 0 3 312.417 2.401 20 30 DEEDHN N#CC1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCC1 ZINC000610527899 361417367 /nfs/dbraw/zinc/41/73/67/361417367.db2.gz DLGRJFRHCLYEHB-UHFFFAOYSA-N 0 3 313.401 2.276 20 30 DEEDHN COc1ccc2c(c1)[C@H](NC1CCN(CC#N)CC1)CCCO2 ZINC000610813048 361471241 /nfs/dbraw/zinc/47/12/41/361471241.db2.gz XGZPQHVEUNAXEW-QGZVFWFLSA-N 0 3 315.417 2.486 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](O)COCC1CC1 ZINC000611392201 361589193 /nfs/dbraw/zinc/58/91/93/361589193.db2.gz JVMQMSLHCAOKDE-SJLPKXTDSA-N 0 3 300.402 2.313 20 30 DEEDHN N#CCN1CCC(NCc2cc(Cl)cc3c2OCC3)CC1 ZINC000611930073 361707273 /nfs/dbraw/zinc/70/72/73/361707273.db2.gz PUOHBSLEFIWTGC-UHFFFAOYSA-N 0 3 305.809 2.352 20 30 DEEDHN C[C@@H]1CN(c2ccc(Cl)cc2C#N)CCN1CC(C)(C)O ZINC000275465362 212351731 /nfs/dbraw/zinc/35/17/31/212351731.db2.gz HTWAQQICSSVUQW-GFCCVEGCSA-N 0 3 307.825 2.493 20 30 DEEDHN C=C(C)CN1CCC(NCc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449125376 240088565 /nfs/dbraw/zinc/08/85/65/240088565.db2.gz RYOKWXPRVFBVTL-UHFFFAOYSA-N 0 3 322.474 2.220 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000275209955 212198453 /nfs/dbraw/zinc/19/84/53/212198453.db2.gz JOMYLUXMTLOLBB-DAXOMENPSA-N 0 3 301.390 2.432 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000451596652 243173903 /nfs/dbraw/zinc/17/39/03/243173903.db2.gz GMYNEVHUIHAJDV-CXUGXGMPSA-N 0 3 300.402 2.286 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000451605928 243194899 /nfs/dbraw/zinc/19/48/99/243194899.db2.gz LJPCMBUCKUEPQX-VQISRLSMSA-N 0 3 319.792 2.472 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000451675193 243290718 /nfs/dbraw/zinc/29/07/18/243290718.db2.gz OZVWAZHPIFOKIL-XGUBFFRZSA-N 0 3 306.406 2.416 20 30 DEEDHN CC[C@@H]1CN(CC)CCN1CCOc1ccc(C#N)cc1OC ZINC000451728833 243380741 /nfs/dbraw/zinc/38/07/41/243380741.db2.gz HWPVFCGYFMBRRH-MRXNPFEDSA-N 0 3 317.433 2.362 20 30 DEEDHN C=CCC[C@@H](C(=O)NCCN(CC)CCO)c1ccccc1 ZINC000275138430 212144189 /nfs/dbraw/zinc/14/41/89/212144189.db2.gz QJEWMRDUDAQYQX-QGZVFWFLSA-N 0 3 304.434 2.167 20 30 DEEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453365323 245090411 /nfs/dbraw/zinc/09/04/11/245090411.db2.gz RMRNUUKLPAEFLZ-YPMHNXCESA-N 0 3 315.410 2.207 20 30 DEEDHN CN(CCOc1cccc(C#N)c1)C[C@H](O)Cc1ccccc1 ZINC000264712453 204096103 /nfs/dbraw/zinc/09/61/03/204096103.db2.gz LJNZQMAKWLKOHA-GOSISDBHSA-N 0 3 310.397 2.472 20 30 DEEDHN C#CCOc1ccc(CNCCN(C)CC(F)(F)F)cc1 ZINC000264989233 204327003 /nfs/dbraw/zinc/32/70/03/204327003.db2.gz WQZJSJNWQCNUEW-UHFFFAOYSA-N 0 3 300.324 2.282 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(CCOc1cccc(C#N)c1)CC2 ZINC000265088660 204388968 /nfs/dbraw/zinc/38/89/68/204388968.db2.gz TZSNOKKLMMHJNW-INIZCTEOSA-N 0 3 314.385 2.212 20 30 DEEDHN C=CCNC(=O)c1ccc(NC[C@@H]2CCCCN2CC)nc1 ZINC000267523252 206123833 /nfs/dbraw/zinc/12/38/33/206123833.db2.gz MYONWLXHWHEGBI-HNNXBMFYSA-N 0 3 302.422 2.284 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)OCC ZINC000456635315 247327466 /nfs/dbraw/zinc/32/74/66/247327466.db2.gz XCNGNIKGSGCJGH-GJZGRUSLSA-N 0 3 310.438 2.265 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000458384088 248286804 /nfs/dbraw/zinc/28/68/04/248286804.db2.gz TYMDHIAIELUBNT-RDJZCZTQSA-N 0 3 319.449 2.133 20 30 DEEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2sccc2C#N)C12CCC2 ZINC000459755097 248672053 /nfs/dbraw/zinc/67/20/53/248672053.db2.gz JOUMRXVXJQVQBR-NWDGAFQWSA-N 0 3 305.403 2.105 20 30 DEEDHN C=CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274093493 211350237 /nfs/dbraw/zinc/35/02/37/211350237.db2.gz SARMYWLWMKOKSM-UHFFFAOYSA-N 0 3 301.350 2.169 20 30 DEEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000273993349 211252223 /nfs/dbraw/zinc/25/22/23/211252223.db2.gz JWZNZAKQXQZGAS-AGIUHOORSA-N 0 3 317.389 2.063 20 30 DEEDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000284879795 218219624 /nfs/dbraw/zinc/21/96/24/218219624.db2.gz DYWRPLRNEZTRND-MRXNPFEDSA-N 0 3 315.417 2.448 20 30 DEEDHN CCN(Cc1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1)C1CC1 ZINC000106045999 194180766 /nfs/dbraw/zinc/18/07/66/194180766.db2.gz FWWHMHFWIAEYEH-QGZVFWFLSA-N 0 3 313.401 2.035 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000106036832 194181291 /nfs/dbraw/zinc/18/12/91/194181291.db2.gz OLVNIQREMMHRFU-UHFFFAOYSA-N 0 3 314.389 2.440 20 30 DEEDHN N#Cc1cccc(OCCN2CCC(C3OCCO3)CC2)c1 ZINC000110456661 194332155 /nfs/dbraw/zinc/33/21/55/194332155.db2.gz YYCJFSQANOXMTP-UHFFFAOYSA-N 0 3 302.374 2.022 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(C)cn2)CC1 ZINC000682710565 542345726 /nfs/dbraw/zinc/34/57/26/542345726.db2.gz SMFONJVFLHBTJM-UHFFFAOYSA-N 0 3 302.422 2.182 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@](C)(O)C1CC1)C(C)C ZINC000270062823 208121045 /nfs/dbraw/zinc/12/10/45/208121045.db2.gz PJHCYWQYHVXQMQ-AEFFLSMTSA-N 0 3 308.466 2.352 20 30 DEEDHN COC[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000377933000 533084047 /nfs/dbraw/zinc/08/40/47/533084047.db2.gz SFXCLXDXNLPUIW-JDEYZFBPSA-N 0 3 300.402 2.394 20 30 DEEDHN Cc1oc(NC(=O)CN[C@H](CO)C2CCCCC2)c(C#N)c1C ZINC000541055298 285153521 /nfs/dbraw/zinc/15/35/21/285153521.db2.gz SRGPWQQTGOBRCZ-OAHLLOKOSA-N 0 3 319.405 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404489425 /nfs/dbraw/zinc/48/94/25/404489425.db2.gz QTRVSMARYUHAMK-CYBMUJFWSA-N 0 3 306.410 2.235 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc(C#N)cc2)C1 ZINC000046045018 401964733 /nfs/dbraw/zinc/96/47/33/401964733.db2.gz LAKZUXRIGRTWEO-CQSZACIVSA-N 0 3 300.406 2.089 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(C)cn1)C(C)C ZINC000046049338 401965971 /nfs/dbraw/zinc/96/59/71/401965971.db2.gz MQRSGLHXENHOIT-INIZCTEOSA-N 0 3 302.422 2.213 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](Cc2nccn2C)C1 ZINC000090004331 401978475 /nfs/dbraw/zinc/97/84/75/401978475.db2.gz XJMHQZOVEOPVAR-MRXNPFEDSA-N 0 3 318.465 2.099 20 30 DEEDHN C=CCCOCCN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090884044 401988876 /nfs/dbraw/zinc/98/88/76/401988876.db2.gz MCSXSRIYLLMLCR-CYBMUJFWSA-N 0 3 312.435 2.301 20 30 DEEDHN C=CCOCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093065528 402011016 /nfs/dbraw/zinc/01/10/16/402011016.db2.gz JLJNZHZPCSNHHA-UHFFFAOYSA-N 0 3 317.433 2.397 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)cc2OCC)CC1 ZINC000151128910 402017791 /nfs/dbraw/zinc/01/77/91/402017791.db2.gz ZFOJPMDXNDCPBS-UHFFFAOYSA-N 0 3 314.429 2.355 20 30 DEEDHN C[C@H](N[C@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1C#N ZINC000151140945 402018682 /nfs/dbraw/zinc/01/86/82/402018682.db2.gz BUTTTXAULGZJKZ-JSQNDZKTSA-N 0 3 313.401 2.432 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1cc(C#N)cs1 ZINC000151228288 402024450 /nfs/dbraw/zinc/02/44/50/402024450.db2.gz PQXGQXFIGKKEOC-UHFFFAOYSA-N 0 3 314.414 2.392 20 30 DEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092643862 402006291 /nfs/dbraw/zinc/00/62/91/402006291.db2.gz NJRAJKAOQSESFL-INIZCTEOSA-N 0 3 315.417 2.421 20 30 DEEDHN C#CCCCCNC(=O)NCc1ccccc1OCCN(C)C ZINC000122364691 402075433 /nfs/dbraw/zinc/07/54/33/402075433.db2.gz MKBWDYJTOGYBHX-UHFFFAOYSA-N 0 3 317.433 2.230 20 30 DEEDHN CS[C@H](CO)[C@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000152468431 402096445 /nfs/dbraw/zinc/09/64/45/402096445.db2.gz DXIFYLKCQPSAGQ-XJKSGUPXSA-N 0 3 307.463 2.238 20 30 DEEDHN CC(=O)N1CC[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000152851951 402112492 /nfs/dbraw/zinc/11/24/92/402112492.db2.gz BMOSMVDXISLTCA-MRXNPFEDSA-N 0 3 301.390 2.080 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000151925036 402065997 /nfs/dbraw/zinc/06/59/97/402065997.db2.gz TYMHLOKHFIKTSR-CQSZACIVSA-N 0 3 303.406 2.124 20 30 DEEDHN C[C@H](NC(C)(C)CNC(=O)CSCC#N)c1ccccc1 ZINC000068386890 402195884 /nfs/dbraw/zinc/19/58/84/402195884.db2.gz ARPXEIVUYUVHPO-ZDUSSCGKSA-N 0 3 305.447 2.489 20 30 DEEDHN CCN1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000153636032 402159462 /nfs/dbraw/zinc/15/94/62/402159462.db2.gz OKCPSWOLWHNIDV-UHFFFAOYSA-N 0 3 320.462 2.203 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3noc(C)n3)c2)CC1 ZINC000124095351 402163492 /nfs/dbraw/zinc/16/34/92/402163492.db2.gz SUDXHKCKDLVTIK-UHFFFAOYSA-N 0 3 324.384 2.329 20 30 DEEDHN N#CC(C(=O)c1cccc2c1OCO2)c1nnc2n1CCCCC2 ZINC000069345888 402218891 /nfs/dbraw/zinc/21/88/91/402218891.db2.gz MWBIUQHVPMDJSH-GFCCVEGCSA-N 0 3 324.340 2.223 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000154985203 402240578 /nfs/dbraw/zinc/24/05/78/402240578.db2.gz RKWYKJJADVNILG-OAHLLOKOSA-N 0 3 301.390 2.066 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000108742549 402260617 /nfs/dbraw/zinc/26/06/17/402260617.db2.gz XSZJMTSSYGDDPW-INIZCTEOSA-N 0 3 312.413 2.014 20 30 DEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000566306279 292228071 /nfs/dbraw/zinc/22/80/71/292228071.db2.gz KYJKWDHNQKQKRI-BETUJISGSA-N 0 3 302.378 2.381 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccccc2F)CC1 ZINC000106040666 402212017 /nfs/dbraw/zinc/21/20/17/402212017.db2.gz BLOFPVXRHDNFMF-UHFFFAOYSA-N 0 3 306.381 2.361 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCc2nc(C(C)C)no2)CC1 ZINC000106036517 402212188 /nfs/dbraw/zinc/21/21/88/402212188.db2.gz MWKMXQQWSCSEQY-UHFFFAOYSA-N 0 3 320.437 2.282 20 30 DEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCOCC1 ZINC000156121995 402276092 /nfs/dbraw/zinc/27/60/92/402276092.db2.gz QXDVOQLJPKETFA-UHFFFAOYSA-N 0 3 307.438 2.030 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000176132833 402281506 /nfs/dbraw/zinc/28/15/06/402281506.db2.gz XVCHQRLOEGAOCJ-BETUJISGSA-N 0 3 321.446 2.239 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2cc(C#N)cs2)C[C@@H](C)O1 ZINC000176132855 402281865 /nfs/dbraw/zinc/28/18/65/402281865.db2.gz XVCHQRLOEGAOCJ-CHWSQXEVSA-N 0 3 321.446 2.239 20 30 DEEDHN Cc1ccc(NC(=O)CCNCc2ccc(C#N)s2)nc1 ZINC000176969286 402355257 /nfs/dbraw/zinc/35/52/57/402355257.db2.gz NNKWLKIAFUCKKP-UHFFFAOYSA-N 0 3 300.387 2.442 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185643964 402366794 /nfs/dbraw/zinc/36/67/94/402366794.db2.gz QWXHALYNNVCUMT-FMKPAKJESA-N 0 3 315.417 2.149 20 30 DEEDHN CCOC(=O)N1CC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000185774614 402376083 /nfs/dbraw/zinc/37/60/83/402376083.db2.gz ZJPQIISJLYLYBX-UKRRQHHQSA-N 0 3 317.389 2.298 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185795952 402377742 /nfs/dbraw/zinc/37/77/42/402377742.db2.gz KHWXXHAXHVZNRZ-IPYPFGDCSA-N 0 3 321.446 2.328 20 30 DEEDHN CCOCCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000159959389 402334251 /nfs/dbraw/zinc/33/42/51/402334251.db2.gz VPFUKUPGNDYINM-MRXNPFEDSA-N 0 3 315.417 2.271 20 30 DEEDHN CCC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cccnc1 ZINC000186039467 402398256 /nfs/dbraw/zinc/39/82/56/402398256.db2.gz LORNTDOGAXTWLG-HYEKCJMVSA-N 0 3 314.389 2.039 20 30 DEEDHN Cc1cc(C#N)ccc1CN(CCO)CCOCC(F)(F)F ZINC000186229708 402413392 /nfs/dbraw/zinc/41/33/92/402413392.db2.gz MWAVEOLDSZBDAE-UHFFFAOYSA-N 0 3 316.323 2.240 20 30 DEEDHN CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000186464598 402433548 /nfs/dbraw/zinc/43/35/48/402433548.db2.gz FUAIFLGUJHLGKN-ZFWWWQNUSA-N 0 3 317.389 2.470 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000177343108 402393066 /nfs/dbraw/zinc/39/30/66/402393066.db2.gz OMXRFSYGJWADRN-UHFFFAOYSA-N 0 3 313.445 2.340 20 30 DEEDHN CN(CCN(C)C1CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000186711260 402458474 /nfs/dbraw/zinc/45/84/74/402458474.db2.gz GWEOXHSCGTWGEI-UHFFFAOYSA-N 0 3 315.417 2.268 20 30 DEEDHN COCCO[C@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000189744677 402556656 /nfs/dbraw/zinc/55/66/56/402556656.db2.gz OTVHXHKWWYQLOD-KRWDZBQOSA-N 0 3 304.390 2.064 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CCOC1 ZINC000178755734 402535311 /nfs/dbraw/zinc/53/53/11/402535311.db2.gz BINFPWGHAMKREA-LPMVOBIJSA-N 0 3 321.465 2.274 20 30 DEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1CC#Cc1ccc(Cl)cc1 ZINC000189425901 402536161 /nfs/dbraw/zinc/53/61/61/402536161.db2.gz LJTKYBQINGIGEM-OAHLLOKOSA-N 0 3 320.864 2.469 20 30 DEEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CCOC1 ZINC000178776777 402538063 /nfs/dbraw/zinc/53/80/63/402538063.db2.gz RNURBWCFWZFVEO-CVEARBPZSA-N 0 3 315.417 2.290 20 30 DEEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 ZINC000248508930 402593606 /nfs/dbraw/zinc/59/36/06/402593606.db2.gz YLVHBWFRYLNDBF-JQFCIGGWSA-N 0 3 313.401 2.211 20 30 DEEDHN CC[C@@H](NCCCC#N)c1ccccc1OCC(=O)N(C)C ZINC000179730616 402598975 /nfs/dbraw/zinc/59/89/75/402598975.db2.gz NSUGTAGGLMFREH-OAHLLOKOSA-N 0 3 303.406 2.498 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248727982 402605457 /nfs/dbraw/zinc/60/54/57/402605457.db2.gz IPCHMSJMFRYUOO-UXLLHSPISA-N 0 3 302.418 2.435 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(OC)c2OC)CC1 ZINC000171725107 402615054 /nfs/dbraw/zinc/61/50/54/402615054.db2.gz UAPHJMABVRBWEO-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000171729800 402615549 /nfs/dbraw/zinc/61/55/49/402615549.db2.gz PPIJMECYIOMDSB-MRXNPFEDSA-N 0 3 314.429 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CC(C)C)c2)CC1 ZINC000180942997 402631009 /nfs/dbraw/zinc/63/10/09/402631009.db2.gz PNMYXEDHCHUAMF-UHFFFAOYSA-N 0 3 304.438 2.309 20 30 DEEDHN C=C(C)CN(C)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000181316839 402640936 /nfs/dbraw/zinc/64/09/36/402640936.db2.gz ZUCOELMSZGDTFM-SJLPKXTDSA-N 0 3 315.461 2.274 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000172291611 402648415 /nfs/dbraw/zinc/64/84/15/402648415.db2.gz WQRZCDQXSGABOP-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN COc1ccccc1N1CC[C@H](NCc2cc(C#N)n(C)c2)C1 ZINC000191314411 402659988 /nfs/dbraw/zinc/65/99/88/402659988.db2.gz ODDJIOZNVCHJPM-HNNXBMFYSA-N 0 3 310.401 2.274 20 30 DEEDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182017830 402664137 /nfs/dbraw/zinc/66/41/37/402664137.db2.gz FVZDGKMOZINMSB-UKRRQHHQSA-N 0 3 316.405 2.043 20 30 DEEDHN CCCNC(=O)C1(NCc2cc(C#N)n(C)c2)CCCCC1 ZINC000191496291 402673777 /nfs/dbraw/zinc/67/37/77/402673777.db2.gz FJWGZJHOBXHFCF-UHFFFAOYSA-N 0 3 302.422 2.215 20 30 DEEDHN Cn1cc(CNC[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000191522318 402676039 /nfs/dbraw/zinc/67/60/39/402676039.db2.gz HIEXSIXCOORWNB-HNNXBMFYSA-N 0 3 318.421 2.290 20 30 DEEDHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000182269622 402677650 /nfs/dbraw/zinc/67/76/50/402677650.db2.gz MSZCRQQRBNVQRU-CABCVRRESA-N 0 3 307.438 2.218 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cccc(F)c1C#N ZINC000263766859 402801068 /nfs/dbraw/zinc/80/10/68/402801068.db2.gz VRQPAEHKLVKNGX-INIZCTEOSA-N 0 3 318.396 2.052 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C1(C)C ZINC000329915638 404493280 /nfs/dbraw/zinc/49/32/80/404493280.db2.gz PULQNMSSBSQENM-RJZRQDKASA-N 0 3 320.437 2.009 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2(C)CCC2)cc1 ZINC000278620914 402869142 /nfs/dbraw/zinc/86/91/42/402869142.db2.gz NGPITOBYSUDALZ-LLVKDONJSA-N 0 3 321.402 2.436 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000264485962 402883321 /nfs/dbraw/zinc/88/33/21/402883321.db2.gz RKVCMCDWNAXBRC-NWDGAFQWSA-N 0 3 303.366 2.394 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000278970717 402892046 /nfs/dbraw/zinc/89/20/46/402892046.db2.gz XPEXOEAYQGSVGK-IBGZPJMESA-N 0 3 316.445 2.267 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H]2CCC[C@@H]2CCO)c(C#N)c1C ZINC000279398177 402938383 /nfs/dbraw/zinc/93/83/83/402938383.db2.gz ZKMKVVXCOITGRA-OCCSQVGLSA-N 0 3 321.446 2.316 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000273074471 402968866 /nfs/dbraw/zinc/96/88/66/402968866.db2.gz GBEMTHZQZAQSNR-KBPBESRZSA-N 0 3 314.223 2.399 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(F)(F)C(F)F)cc1 ZINC000280089669 402966900 /nfs/dbraw/zinc/96/69/00/402966900.db2.gz RTOBONJLPLMJES-NSHDSACASA-N 0 3 313.254 2.257 20 30 DEEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CO[C@H](C)COC ZINC000279196578 402914950 /nfs/dbraw/zinc/91/49/50/402914950.db2.gz AGKLJJBNCRJPLK-AEFFLSMTSA-N 0 3 307.434 2.477 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1nccn2cnnc12)C(C)C ZINC000265427467 402917585 /nfs/dbraw/zinc/91/75/85/402917585.db2.gz LSQNQJAXUGQVDV-CQSZACIVSA-N 0 3 300.410 2.235 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1N(C)C ZINC000272418360 402934625 /nfs/dbraw/zinc/93/46/25/402934625.db2.gz AWWPTVXOCVAIEH-KGLIPLIRSA-N 0 3 322.409 2.207 20 30 DEEDHN CS[C@H]1CN(c2ncc(Cl)c(C)c2C#N)C[C@H]1N(C)C ZINC000273404043 403001787 /nfs/dbraw/zinc/00/17/87/403001787.db2.gz WRXXUWWQWHZEEY-OLZOCXBDSA-N 0 3 310.854 2.397 20 30 DEEDHN C=CCNC(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273575609 403016695 /nfs/dbraw/zinc/01/66/95/403016695.db2.gz YXKKUGZMPGNZPF-HOTGVXAUSA-N 0 3 306.381 2.280 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@@H](C)CN2CCCCC2)nc1 ZINC000267239782 403028431 /nfs/dbraw/zinc/02/84/31/403028431.db2.gz RNZCAEHPQYSLLE-AWEZNQCLSA-N 0 3 302.422 2.284 20 30 DEEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCOCC1 ZINC000280202426 402974799 /nfs/dbraw/zinc/97/47/99/402974799.db2.gz URSREFCWZUSNKF-INIZCTEOSA-N 0 3 311.385 2.173 20 30 DEEDHN Cc1ccc(C#N)c(NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000273214248 402983594 /nfs/dbraw/zinc/98/35/94/402983594.db2.gz PSNSRNMXUHKZAN-GOSISDBHSA-N 0 3 322.412 2.440 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CCCOCc1ccccc1 ZINC000281292554 403062639 /nfs/dbraw/zinc/06/26/39/403062639.db2.gz HKKTYQKVFIVGED-INIZCTEOSA-N 0 3 317.433 2.286 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCc2ccc3c(c2)CCO3)C1=O ZINC000281289099 403062891 /nfs/dbraw/zinc/06/28/91/403062891.db2.gz OYAPKGCHTYFSES-KRWDZBQOSA-N 0 3 314.429 2.273 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000268229890 403063878 /nfs/dbraw/zinc/06/38/78/403063878.db2.gz NETWVPNIUQJBMI-OTYXRUKQSA-N 0 3 305.328 2.049 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000281457727 403069000 /nfs/dbraw/zinc/06/90/00/403069000.db2.gz OXIZZLCFNMQYHQ-DLBZAZTESA-N 0 3 302.418 2.459 20 30 DEEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274588004 403069659 /nfs/dbraw/zinc/06/96/59/403069659.db2.gz DTOIYRHBYKFWSH-GUTXKFCHSA-N 0 3 321.446 2.280 20 30 DEEDHN COC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281609279 403074649 /nfs/dbraw/zinc/07/46/49/403074649.db2.gz PCWMYPMUTWINIE-MRXNPFEDSA-N 0 3 311.385 2.268 20 30 DEEDHN CCOC(=O)[C@@](C)(O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000274678090 403078040 /nfs/dbraw/zinc/07/80/40/403078040.db2.gz VOYDHLVPNXBUMJ-KRWDZBQOSA-N 0 3 304.390 2.083 20 30 DEEDHN Cc1nc([C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n[nH]1 ZINC000268465193 403085524 /nfs/dbraw/zinc/08/55/24/403085524.db2.gz LMCIGKBDXGRBCD-OAHLLOKOSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1n[nH]c([C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n1 ZINC000268465193 403085526 /nfs/dbraw/zinc/08/55/26/403085526.db2.gz LMCIGKBDXGRBCD-OAHLLOKOSA-N 0 3 311.389 2.243 20 30 DEEDHN CN1CCN(CCNc2ccc(Cl)c(C#N)n2)CC1(C)C ZINC000281733018 403086264 /nfs/dbraw/zinc/08/62/64/403086264.db2.gz WLNGXESIRSYPQX-UHFFFAOYSA-N 0 3 307.829 2.045 20 30 DEEDHN Cc1ncc(CO)c(/C=N/c2ccccc2CC[NH+](C)C)c1[O-] ZINC000275695261 403116621 /nfs/dbraw/zinc/11/66/21/403116621.db2.gz PYHTXQXVVAOBLW-RGVLZGJSSA-N 0 3 313.401 2.443 20 30 DEEDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)cc2F)cn1 ZINC000275666917 403113972 /nfs/dbraw/zinc/11/39/72/403113972.db2.gz VJPAMSDRPZRCIT-DLBZAZTESA-N 0 3 314.364 2.441 20 30 DEEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2ccc3c(c2)OCCO3)C1=O ZINC000282052776 403117601 /nfs/dbraw/zinc/11/76/01/403117601.db2.gz RRTSINWDHFDHAD-LSDHHAIUSA-N 0 3 316.401 2.285 20 30 DEEDHN N#Cc1cccc(NC(=O)C2CCN(CCn3ccnc3)CC2)c1 ZINC000270832382 403229047 /nfs/dbraw/zinc/22/90/47/403229047.db2.gz DCEJJMIFLUHALL-UHFFFAOYSA-N 0 3 323.400 2.105 20 30 DEEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ncnn1C ZINC000276611793 403191769 /nfs/dbraw/zinc/19/17/69/403191769.db2.gz LLAILEBZYORZFX-CQSZACIVSA-N 0 3 324.432 2.002 20 30 DEEDHN C=CCOc1cccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000284441891 403267359 /nfs/dbraw/zinc/26/73/59/403267359.db2.gz SUZDECYWEASDEQ-CVEARBPZSA-N 0 3 304.434 2.138 20 30 DEEDHN C[C@H]1CN(CCCNc2nc3ccccn3c2C#N)CCCO1 ZINC000277944359 403273562 /nfs/dbraw/zinc/27/35/62/403273562.db2.gz IDFDTVSAXBZUMX-AWEZNQCLSA-N 0 3 313.405 2.119 20 30 DEEDHN Cc1nc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)ccc1C#N ZINC000292210295 403322594 /nfs/dbraw/zinc/32/25/94/403322594.db2.gz BCASANYJWKOOEP-CYBMUJFWSA-N 0 3 312.417 2.208 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000298160362 403324904 /nfs/dbraw/zinc/32/49/04/403324904.db2.gz SIGLKPSSQYDVCD-HFTRVMKXSA-N 0 3 312.413 2.168 20 30 DEEDHN COCCSCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292239029 403331166 /nfs/dbraw/zinc/33/11/66/403331166.db2.gz QBNGJXWYNZPWJO-HNNXBMFYSA-N 0 3 321.446 2.176 20 30 DEEDHN C=CCCOCCCCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000342980971 403417325 /nfs/dbraw/zinc/41/73/25/403417325.db2.gz ASOBVEMAISQGCB-LSDHHAIUSA-N 0 3 314.495 2.253 20 30 DEEDHN CCC(CC)N(CCOC)CC(=O)NCc1cccc(C#N)c1 ZINC000343005589 403426476 /nfs/dbraw/zinc/42/64/76/403426476.db2.gz ZROZKTLLHRMPQU-UHFFFAOYSA-N 0 3 317.433 2.311 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H](C)C#N)C(C)C ZINC000298658524 403433504 /nfs/dbraw/zinc/43/35/04/403433504.db2.gz HOFOESKXEJAMOU-HZPDHXFCSA-N 0 3 306.454 2.486 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCOC1)C(C)C ZINC000298698214 403442838 /nfs/dbraw/zinc/44/28/38/403442838.db2.gz VKMKDMCEWWMQCH-JKSUJKDBSA-N 0 3 309.454 2.021 20 30 DEEDHN N#CC1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000286133380 403456934 /nfs/dbraw/zinc/45/69/34/403456934.db2.gz WOZBPCOIIOMPEI-UHFFFAOYSA-N 0 3 312.461 2.434 20 30 DEEDHN Cc1c([C@H](C)NCCC(=O)Nc2ccccc2C#N)cnn1C ZINC000298818949 403468440 /nfs/dbraw/zinc/46/84/40/403468440.db2.gz FWPYDFNFBNSAPX-LBPRGKRZSA-N 0 3 311.389 2.280 20 30 DEEDHN C=CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000343158579 403480984 /nfs/dbraw/zinc/48/09/84/403480984.db2.gz LKCRCTWUUVSYPE-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C2CCC2)cc1 ZINC000287157661 403555165 /nfs/dbraw/zinc/55/51/65/403555165.db2.gz MOERLRMIKXCTNN-NSHDSACASA-N 0 3 321.402 2.389 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000345814793 403494102 /nfs/dbraw/zinc/49/41/02/403494102.db2.gz VQTAYNXLJKDETN-GWCFXTLKSA-N 0 3 305.765 2.063 20 30 DEEDHN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C#N)c1 ZINC000339922523 403494649 /nfs/dbraw/zinc/49/46/49/403494649.db2.gz LVTNJFBLTFWSCA-CJNGLKHVSA-N 0 3 302.374 2.362 20 30 DEEDHN C[C@H](CN1CCCCC1)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000286310421 403496199 /nfs/dbraw/zinc/49/61/99/403496199.db2.gz ZBKQGMJTLDUPHC-LLVKDONJSA-N 0 3 303.366 2.335 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cs1 ZINC000293908053 403596332 /nfs/dbraw/zinc/59/63/32/403596332.db2.gz FVCWOBGAYHZDCY-UHFFFAOYSA-N 0 3 315.236 2.196 20 30 DEEDHN CC[C@@H]1C[C@H](CN2CCN(c3ccc(C#N)cn3)CC2)CCO1 ZINC000332403787 403572572 /nfs/dbraw/zinc/57/25/72/403572572.db2.gz VWIPFLMFOVNFMC-NVXWUHKLSA-N 0 3 314.433 2.280 20 30 DEEDHN C=CCc1cc(C(=O)N[C@@H](C)CN(C)C)cc(OC)c1OC ZINC000287316270 403574434 /nfs/dbraw/zinc/57/44/34/403574434.db2.gz WQHYXFQUNDVSKK-LBPRGKRZSA-N 0 3 306.406 2.112 20 30 DEEDHN CC(C#N)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000347064882 403613837 /nfs/dbraw/zinc/61/38/37/403613837.db2.gz IDLJGMALOLLBCQ-SECBINFHSA-N 0 3 324.178 2.054 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000347049577 403612746 /nfs/dbraw/zinc/61/27/46/403612746.db2.gz MTMZGIDCJRWLTD-GFCCVEGCSA-N 0 3 314.414 2.100 20 30 DEEDHN CN1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301345057 403617644 /nfs/dbraw/zinc/61/76/44/403617644.db2.gz KAEHIDRWIVTPAF-UHFFFAOYSA-N 0 3 311.345 2.157 20 30 DEEDHN C=CCOCCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294042754 403632223 /nfs/dbraw/zinc/63/22/23/403632223.db2.gz IUTLBLFBKWIQHC-GDBMZVCRSA-N 0 3 310.344 2.029 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000295110268 403763536 /nfs/dbraw/zinc/76/35/36/403763536.db2.gz VIWRTEHHPSAHLB-SJLPKXTDSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCN(C)CC1(C)C ZINC000347588663 403763728 /nfs/dbraw/zinc/76/37/28/403763728.db2.gz KCQBBNJIPBETNI-KRWDZBQOSA-N 0 3 318.461 2.181 20 30 DEEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2cccs2)n1 ZINC000288041506 403714113 /nfs/dbraw/zinc/71/41/13/403714113.db2.gz XIUBCNCUFNWLDR-UHFFFAOYSA-N 0 3 301.419 2.286 20 30 DEEDHN C=CCCOCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000288131021 403730898 /nfs/dbraw/zinc/73/08/98/403730898.db2.gz YZWRNBZZCQRQIG-INIZCTEOSA-N 0 3 323.412 2.320 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3c2OCC3)[C@H]1C ZINC001088875426 782007270 /nfs/dbraw/zinc/00/72/70/782007270.db2.gz KDXFUICYUNTWQU-CJNGLKHVSA-N 0 3 300.402 2.390 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000288586773 403758388 /nfs/dbraw/zinc/75/83/88/403758388.db2.gz XTWNKODWFUTWNR-CVAGBXBRSA-N 0 3 315.417 2.366 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000288586775 403758627 /nfs/dbraw/zinc/75/86/27/403758627.db2.gz XTWNKODWFUTWNR-RBIFKOBWSA-N 0 3 315.417 2.366 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000341073227 403761940 /nfs/dbraw/zinc/76/19/40/403761940.db2.gz RUYHAMJAWIECCY-XEZPLFJOSA-N 0 3 300.406 2.401 20 30 DEEDHN CCN(C)C(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354474924 403824667 /nfs/dbraw/zinc/82/46/67/403824667.db2.gz XIELADLUWONMHS-CQSZACIVSA-N 0 3 308.341 2.059 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000295199955 403793901 /nfs/dbraw/zinc/79/39/01/403793901.db2.gz VXZYGRXHIIKBBA-KDOFPFPSSA-N 0 3 312.413 2.301 20 30 DEEDHN CC(=O)NCC[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000347661454 403796830 /nfs/dbraw/zinc/79/68/30/403796830.db2.gz YGFOEIDDGVPKFL-INIZCTEOSA-N 0 3 315.417 2.175 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000347739896 403835300 /nfs/dbraw/zinc/83/53/00/403835300.db2.gz YWACFEXVWXJHMQ-ZJUUUORDSA-N 0 3 311.179 2.492 20 30 DEEDHN C[C@@H](CCC#N)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411437943 403857658 /nfs/dbraw/zinc/85/76/58/403857658.db2.gz BBMBHZZNEQYJJR-YESZJQIVSA-N 0 3 323.481 2.269 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)CC(F)(F)F ZINC000344113288 403918440 /nfs/dbraw/zinc/91/84/40/403918440.db2.gz LNNVBADCZCEFQK-AWEZNQCLSA-N 0 3 316.323 2.320 20 30 DEEDHN C[C@H]1C[C@@H](CO)CCN1CCC(=O)Nc1sccc1C#N ZINC000344122777 403925370 /nfs/dbraw/zinc/92/53/70/403925370.db2.gz DZSKFJLPNOXXHW-RYUDHWBXSA-N 0 3 307.419 2.041 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nccn1CC)C(C)C ZINC000362762754 403987250 /nfs/dbraw/zinc/98/72/50/403987250.db2.gz MCKGWMVHUGEHCE-HNNXBMFYSA-N 0 3 304.438 2.331 20 30 DEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000289904306 404008309 /nfs/dbraw/zinc/00/83/09/404008309.db2.gz UCRQGTURKDYVSY-HIFRSBDPSA-N 0 3 301.390 2.197 20 30 DEEDHN CN(C)CCCN(CCC#N)C(=O)[C@H]1CCCCCC(=O)C1 ZINC000362633141 403977704 /nfs/dbraw/zinc/97/77/04/403977704.db2.gz IMBAIFNOIBSXMG-HNNXBMFYSA-N 0 3 307.438 2.220 20 30 DEEDHN N#C[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CCO1 ZINC000412046462 404085200 /nfs/dbraw/zinc/08/52/00/404085200.db2.gz UDBTWJYOWIYNNJ-QGZVFWFLSA-N 0 3 313.401 2.037 20 30 DEEDHN CCN1CCN(CCCNc2nccc(C#N)c2Cl)CC1 ZINC000341568832 404040199 /nfs/dbraw/zinc/04/01/99/404040199.db2.gz WNJVYGONXWDGNE-UHFFFAOYSA-N 0 3 307.829 2.046 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000348319254 404058459 /nfs/dbraw/zinc/05/84/59/404058459.db2.gz UNFBOXPTOXKMAM-PBHICJAKSA-N 0 3 315.417 2.239 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000348319261 404058945 /nfs/dbraw/zinc/05/89/45/404058945.db2.gz UNFBOXPTOXKMAM-YOEHRIQHSA-N 0 3 315.417 2.239 20 30 DEEDHN N#CCc1ccc(CN2CCOCC3(CCOCC3)C2)cc1 ZINC000344338342 404066535 /nfs/dbraw/zinc/06/65/35/404066535.db2.gz OYPBXAUGTAPIFI-UHFFFAOYSA-N 0 3 300.402 2.382 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000344343094 404069760 /nfs/dbraw/zinc/06/97/60/404069760.db2.gz NBCDYAJANXFROO-CQSZACIVSA-N 0 3 320.393 2.351 20 30 DEEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)C#N)c2)CC1 ZINC000348864338 404104150 /nfs/dbraw/zinc/10/41/50/404104150.db2.gz DAMJPGYUIMTJGU-AWEZNQCLSA-N 0 3 300.406 2.315 20 30 DEEDHN N#Cc1ccncc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000341702301 404119689 /nfs/dbraw/zinc/11/96/89/404119689.db2.gz WFAXMTMEHOUSSZ-UHFFFAOYSA-N 0 3 320.396 2.131 20 30 DEEDHN Cn1c(CNC(=O)C2CCN(C3CC3)CC2)nnc1C1CCC1 ZINC000328689411 404130407 /nfs/dbraw/zinc/13/04/07/404130407.db2.gz IBADDMWZSXHOCS-UHFFFAOYSA-N 0 3 317.437 2.414 20 30 DEEDHN CO[C@H](C(=O)N[C@@H]1CCN(C2CCCC2)C1)c1cnn(C)c1 ZINC000328684634 404130975 /nfs/dbraw/zinc/13/09/75/404130975.db2.gz WVWNYPYCSXZZSY-HIFRSBDPSA-N 0 3 306.410 2.081 20 30 DEEDHN CN(C(=O)CN1CCC2(C1)CCOCC2)C1(C#N)CCCCC1 ZINC000363285639 404141505 /nfs/dbraw/zinc/14/15/05/404141505.db2.gz PBSSPDNDWQMURE-UHFFFAOYSA-N 0 3 319.449 2.174 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000344447855 404143655 /nfs/dbraw/zinc/14/36/55/404143655.db2.gz VCHYAMTUQIJCMX-JKSUJKDBSA-N 0 3 307.482 2.073 20 30 DEEDHN CN(C)C1(CNC(=O)C[C@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000328709915 404137446 /nfs/dbraw/zinc/13/74/46/404137446.db2.gz BNIZHOKEBYQUPR-CYBMUJFWSA-N 0 3 316.467 2.032 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC000328808480 404154089 /nfs/dbraw/zinc/15/40/89/404154089.db2.gz ADCBTEFNHJSOEY-CYBMUJFWSA-N 0 3 301.394 2.135 20 30 DEEDHN CCO[C@@H]1C[C@](O)(CNC(=O)C2CCN(C3CC3)CC2)C1(C)C ZINC000328751823 404144494 /nfs/dbraw/zinc/14/44/94/404144494.db2.gz 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404329787 /nfs/dbraw/zinc/32/97/87/404329787.db2.gz DJYHQZGTOUIONS-KRWDZBQOSA-N 0 3 322.497 2.153 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000296847665 404340248 /nfs/dbraw/zinc/34/02/48/404340248.db2.gz JSZHAUWBGNISHU-MRXNPFEDSA-N 0 3 314.433 2.129 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)NC3CCCC3)[C@H]2C1 ZINC000329469735 404346354 /nfs/dbraw/zinc/34/63/54/404346354.db2.gz YIRSLESHEKHGTH-HIFRSBDPSA-N 0 3 307.438 2.218 20 30 DEEDHN O=C(NC1CCN(C2CC2)CC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329495937 404356531 /nfs/dbraw/zinc/35/65/31/404356531.db2.gz XEPYSYJMCDNDBQ-INIZCTEOSA-N 0 3 317.437 2.478 20 30 DEEDHN CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C)CCN1C ZINC000337924214 404313799 /nfs/dbraw/zinc/31/37/99/404313799.db2.gz IQTRZLLBQIOYMT-INIZCTEOSA-N 0 3 324.432 2.130 20 30 DEEDHN Cc1nnc([C@@H](C)NC(=O)N2CCN(C3CCCC3)CC2)s1 ZINC000329522943 404365071 /nfs/dbraw/zinc/36/50/71/404365071.db2.gz PQMXWFDCDNKBGC-LLVKDONJSA-N 0 3 323.466 2.382 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000355939156 404378605 /nfs/dbraw/zinc/37/86/05/404378605.db2.gz JNHSTGKGBXVRBR-LSDHHAIUSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616202 404395031 /nfs/dbraw/zinc/39/50/31/404395031.db2.gz LIEBIZSSMRSVHV-TZMCWYRMSA-N 0 3 317.437 2.402 20 30 DEEDHN CS[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H]1N1CCCC1 ZINC000352473167 404395321 /nfs/dbraw/zinc/39/53/21/404395321.db2.gz QEGNCNQYIIITAE-HUUCEWRRSA-N 0 3 321.490 2.499 20 30 DEEDHN CCN1CCCN(c2ncc(Br)cc2C#N)CC1 ZINC000297214359 404502068 /nfs/dbraw/zinc/50/20/68/404502068.db2.gz SGIUYYKQECIMTD-UHFFFAOYSA-N 0 3 309.211 2.248 20 30 DEEDHN CC(=O)N1CCC(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000329975674 404512329 /nfs/dbraw/zinc/51/23/29/404512329.db2.gz ZVVOZYVOYHFPTH-INIZCTEOSA-N 0 3 307.438 2.218 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000414126752 404521493 /nfs/dbraw/zinc/52/14/93/404521493.db2.gz PCTQBRRBDAQRGD-QZTJIDSGSA-N 0 3 313.445 2.420 20 30 DEEDHN CCc1onc(C)c1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000330004671 404523220 /nfs/dbraw/zinc/52/32/20/404523220.db2.gz CTWNGKFFKCKDAP-UHFFFAOYSA-N 0 3 321.421 2.495 20 30 DEEDHN CCc1ocnc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000329790091 404452265 /nfs/dbraw/zinc/45/22/65/404452265.db2.gz SUQVLZOMDNKUQT-UHFFFAOYSA-N 0 3 307.394 2.187 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N2CC[C@H](N3CCCCC3)C2)s1 ZINC000329801119 404457223 /nfs/dbraw/zinc/45/72/23/404457223.db2.gz YPOOKWFMAIVOIE-AAEUAGOBSA-N 0 3 323.466 2.382 20 30 DEEDHN COc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345107242 404553065 /nfs/dbraw/zinc/55/30/65/404553065.db2.gz CHFXKCZGCCPWPE-QWHCGFSZSA-N 0 3 301.390 2.297 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CCC1 ZINC000365158833 404563408 /nfs/dbraw/zinc/56/34/08/404563408.db2.gz CYUDSGKTFAKJAR-DLBZAZTESA-N 0 3 319.493 2.217 20 30 DEEDHN N#CC1(CCCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)CCOCC1 ZINC000330373011 404641609 /nfs/dbraw/zinc/64/16/09/404641609.db2.gz 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/nfs/dbraw/zinc/72/87/38/404728738.db2.gz MJDXRAYEPOSOHQ-QGZVFWFLSA-N 0 3 308.397 2.263 20 30 DEEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)CC(C)(C)O ZINC000357982921 404750397 /nfs/dbraw/zinc/75/03/97/404750397.db2.gz YBVOPCYANFSZRK-UHFFFAOYSA-N 0 3 309.454 2.154 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353215136 404772413 /nfs/dbraw/zinc/77/24/13/404772413.db2.gz URLVJHZETBXKMC-STQMWFEESA-N 0 3 313.405 2.222 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353012808 404720397 /nfs/dbraw/zinc/72/03/97/404720397.db2.gz QGOPIRPBPRYYBZ-HFTRVMKXSA-N 0 3 302.418 2.265 20 30 DEEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)nc(C)n1 ZINC000356992891 404723376 /nfs/dbraw/zinc/72/33/76/404723376.db2.gz WOURFURBEJBVGM-INIZCTEOSA-N 0 3 308.385 2.482 20 30 DEEDHN C=CCN(C[C@@H](C)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000360018643 404812228 /nfs/dbraw/zinc/81/22/28/404812228.db2.gz VOSYRBNHWLHNRR-KGLIPLIRSA-N 0 3 301.394 2.246 20 30 DEEDHN CN(C)CCOc1cc(C(=O)NCC(C)(C)CCC#N)ccn1 ZINC000360410411 404827054 /nfs/dbraw/zinc/82/70/54/404827054.db2.gz HEXFOOGPTMGWIN-UHFFFAOYSA-N 0 3 318.421 2.082 20 30 DEEDHN CN(C[C@@H]1CCN(C)[C@@H]1c1cccnc1)C(=O)CCCC#N ZINC000360718827 404835388 /nfs/dbraw/zinc/83/53/88/404835388.db2.gz UNMUPEDOZGWLKV-DOTOQJQBSA-N 0 3 300.406 2.227 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(COC)CC2)CC1 ZINC000358783436 404775042 /nfs/dbraw/zinc/77/50/42/404775042.db2.gz WUWYCLROLZFXSR-UHFFFAOYSA-N 0 3 323.481 2.485 20 30 DEEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000415306167 404844146 /nfs/dbraw/zinc/84/41/46/404844146.db2.gz HXNLFAOVQYBCHQ-NOZJJQNGSA-N 0 3 322.796 2.446 20 30 DEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415312980 404844921 /nfs/dbraw/zinc/84/49/21/404844921.db2.gz HJLNBUPQOWOOBQ-FZMZJTMJSA-N 0 3 302.378 2.101 20 30 DEEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccccn1 ZINC000353522921 404855989 /nfs/dbraw/zinc/85/59/89/404855989.db2.gz STHGWIQGFQBXFV-CYBMUJFWSA-N 0 3 306.325 2.315 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(CCCC)c2C)CC1 ZINC000435016125 404950050 /nfs/dbraw/zinc/95/00/50/404950050.db2.gz MGGFHWBWIIBMPI-UHFFFAOYSA-N 0 3 304.438 2.372 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000424088311 405001560 /nfs/dbraw/zinc/00/15/60/405001560.db2.gz GTQOFQSRGOUSTH-HOTGVXAUSA-N 0 3 317.389 2.204 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000435673813 405002572 /nfs/dbraw/zinc/00/25/72/405002572.db2.gz OMBBSDIUQMUHNF-BMFZPTHFSA-N 0 3 322.836 2.307 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000424092707 405002699 /nfs/dbraw/zinc/00/26/99/405002699.db2.gz QJQUPIJVEORMDO-CHWSQXEVSA-N 0 3 307.394 2.500 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000424112323 405009722 /nfs/dbraw/zinc/00/97/22/405009722.db2.gz JHVNDSSSNDHTEJ-ZDUSSCGKSA-N 0 3 317.780 2.485 20 30 DEEDHN COc1ccc([C@@H](C)CCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424116967 405011589 /nfs/dbraw/zinc/01/15/89/405011589.db2.gz CDQVWBTZESEPJQ-XJKSGUPXSA-N 0 3 303.406 2.326 20 30 DEEDHN CO[C@H](CNC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424128243 405015303 /nfs/dbraw/zinc/01/53/03/405015303.db2.gz RHANBNHCKVJABC-ZIAGYGMSSA-N 0 3 309.797 2.165 20 30 DEEDHN COc1cc(F)c([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424135185 405018414 /nfs/dbraw/zinc/01/84/14/405018414.db2.gz JAGOTMFKFJODLY-ZWNOBZJWSA-N 0 3 323.368 2.041 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000424134919 405018692 /nfs/dbraw/zinc/01/86/92/405018692.db2.gz OLRWYHREZSCXMZ-IRXDYDNUSA-N 0 3 308.385 2.308 20 30 DEEDHN CCc1csc([C@@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)n1 ZINC000424152047 405024111 /nfs/dbraw/zinc/02/41/11/405024111.db2.gz HWFMVXOQKWFNPD-OCCSQVGLSA-N 0 3 320.462 2.433 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000424176083 405031067 /nfs/dbraw/zinc/03/10/67/405031067.db2.gz RMNRPZVZVXJIDX-CABCVRRESA-N 0 3 321.808 2.261 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC1(Cc2ccccc2)CCOCC1 ZINC000451932894 405099252 /nfs/dbraw/zinc/09/92/52/405099252.db2.gz BBIGWKFPAAADFT-OAHLLOKOSA-N 0 3 302.418 2.059 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000436412198 405077978 /nfs/dbraw/zinc/07/79/78/405077978.db2.gz OWMFHKUKUARNIE-OAHLLOKOSA-N 0 3 303.381 2.345 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2cc(C#N)ccc2F)CC1 ZINC000451978826 405115989 /nfs/dbraw/zinc/11/59/89/405115989.db2.gz GHGFTNWQIABAKD-UHFFFAOYSA-N 0 3 318.440 2.203 20 30 DEEDHN CC(C#N)S(=O)(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000416415640 405136255 /nfs/dbraw/zinc/13/62/55/405136255.db2.gz UJZXDNSQSBALSH-BPLDGKMQSA-N 0 3 303.387 2.000 20 30 DEEDHN CC(C#N)S(=O)(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000416415641 405136305 /nfs/dbraw/zinc/13/63/05/405136305.db2.gz UJZXDNSQSBALSH-SNPRPXQTSA-N 0 3 303.387 2.000 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000424745851 405166185 /nfs/dbraw/zinc/16/61/85/405166185.db2.gz KIMYQBLHMKIKTI-HOTGVXAUSA-N 0 3 307.482 2.073 20 30 DEEDHN N#Cc1cnc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000408376883 405190153 /nfs/dbraw/zinc/19/01/53/405190153.db2.gz YNNCGMLCUYPIOR-CYBMUJFWSA-N 0 3 318.808 2.307 20 30 DEEDHN N#Cc1cnc(C(=O)N2CCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000408376894 405190463 /nfs/dbraw/zinc/19/04/63/405190463.db2.gz YNNCGMLCUYPIOR-ZDUSSCGKSA-N 0 3 318.808 2.307 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452967379 405267098 /nfs/dbraw/zinc/26/70/98/405267098.db2.gz AEDUHLZDQZSYBT-XJKSGUPXSA-N 0 3 316.401 2.036 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C1(C)C ZINC000439518524 405283982 /nfs/dbraw/zinc/28/39/82/405283982.db2.gz HAZAKGSRIBGECU-KCPJHIHWSA-N 0 3 301.390 2.288 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000438052506 405229299 /nfs/dbraw/zinc/22/92/99/405229299.db2.gz IZPZBJKYPBQVII-IKGGRYGDSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN(C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000440537978 405316474 /nfs/dbraw/zinc/31/64/74/405316474.db2.gz WTLRHXNUONBASU-UHFFFAOYSA-N 0 3 319.449 2.399 20 30 DEEDHN CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425855248 405324716 /nfs/dbraw/zinc/32/47/16/405324716.db2.gz ZBZXDXFHFWSIAD-DLBZAZTESA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCC1(CNC(=O)N[C@H]2CCN(CCOC)C2)CCCC1 ZINC000454530507 405358420 /nfs/dbraw/zinc/35/84/20/405358420.db2.gz BBVYWZMMOYOYFH-HNNXBMFYSA-N 0 3 309.454 2.143 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](C)(COC)C2)CC1 ZINC000454460328 405348200 /nfs/dbraw/zinc/34/82/00/405348200.db2.gz HVSMMJFEQKJCSE-KRWDZBQOSA-N 0 3 309.454 2.095 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000454469504 405349973 /nfs/dbraw/zinc/34/99/73/405349973.db2.gz UPKJNSYBLNWQMI-ZBFHGGJFSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCN1CC[C@H](N2CC3(CCC3)[C@@H]2C2CCOCC2)C1=O ZINC000425547488 405301164 /nfs/dbraw/zinc/30/11/64/405301164.db2.gz FSTOTDJKNVBOQX-HOTGVXAUSA-N 0 3 304.434 2.054 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454570001 405365719 /nfs/dbraw/zinc/36/57/19/405365719.db2.gz DUUFHTVDMABAEN-DZGCQCFKSA-N 0 3 314.389 2.125 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429010958 405425593 /nfs/dbraw/zinc/42/55/93/405425593.db2.gz RLJYXMLOXGGELG-XWTMOSNGSA-N 0 3 321.509 2.462 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000446080818 405371479 /nfs/dbraw/zinc/37/14/79/405371479.db2.gz NLZLYWLKGSIBIH-FUHWJXTLSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000429713318 405444998 /nfs/dbraw/zinc/44/49/98/405444998.db2.gz ITRHJJCIUVNOGH-KRWDZBQOSA-N 0 3 315.417 2.212 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)C1CCC(C)CC1 ZINC000429718526 405445842 /nfs/dbraw/zinc/44/58/42/405445842.db2.gz NJGJATBVZCVJFG-UHFFFAOYSA-N 0 3 309.498 2.463 20 30 DEEDHN C[C@H]1[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCCN1C ZINC000455778342 405449463 /nfs/dbraw/zinc/44/94/63/405449463.db2.gz GLKIJCMMYWPTEX-JOYOIKCWSA-N 0 3 307.785 2.211 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448835062 405453684 /nfs/dbraw/zinc/45/36/84/405453684.db2.gz JMQHJWZYJJFUOF-CVEARBPZSA-N 0 3 304.390 2.157 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)C[C@@H]1N(C)C ZINC000455899285 405459976 /nfs/dbraw/zinc/45/99/76/405459976.db2.gz AFBFXRKPBYPAEH-LSDHHAIUSA-N 0 3 318.446 2.262 20 30 DEEDHN CN(C)[C@]1(CNC(=O)/C=C\c2ccc(C#N)cc2)CCSC1 ZINC000492082032 405481620 /nfs/dbraw/zinc/48/16/20/405481620.db2.gz HUVWKAVCRZJYFO-QWPQOLDESA-N 0 3 315.442 2.125 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000557737720 405624398 /nfs/dbraw/zinc/62/43/98/405624398.db2.gz KEKMWBBQVOIHIY-IIAWOOMASA-N 0 3 300.406 2.108 20 30 DEEDHN C=CCNC(=O)CN1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000528635958 405691220 /nfs/dbraw/zinc/69/12/20/405691220.db2.gz BTPYULRVZKADRJ-GOSISDBHSA-N 0 3 315.461 2.131 20 30 DEEDHN COC[C@]1(CO)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449694710 405695637 /nfs/dbraw/zinc/69/56/37/405695637.db2.gz HSPSJSWHXWSTOS-GOSISDBHSA-N 0 3 318.417 2.200 20 30 DEEDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000582396377 405720076 /nfs/dbraw/zinc/72/00/76/405720076.db2.gz ZLQJIMKBYUXWMV-IMJJTQAJSA-N 0 3 313.401 2.057 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(C2CC2)c1 ZINC000528918732 405744221 /nfs/dbraw/zinc/74/42/21/405744221.db2.gz KFVMPFNKEKOEKN-ZDUSSCGKSA-N 0 3 324.340 2.188 20 30 DEEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000560271352 405783466 /nfs/dbraw/zinc/78/34/66/405783466.db2.gz XFSLKKBHIHFBQC-QXKQMHMISA-N 0 3 301.365 2.405 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)C(F)(F)C2)CC1 ZINC000494812735 405770023 /nfs/dbraw/zinc/77/00/23/405770023.db2.gz OCJSOUPPLYIMAJ-GFCCVEGCSA-N 0 3 301.381 2.324 20 30 DEEDHN N#Cc1ccnc(NCc2ccc(OCCN3CCCC3)cc2)n1 ZINC000450338448 405843892 /nfs/dbraw/zinc/84/38/92/405843892.db2.gz XWZJRSBOPUGDKI-UHFFFAOYSA-N 0 3 323.400 2.435 20 30 DEEDHN CC(C)(CC#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000457497374 405867770 /nfs/dbraw/zinc/86/77/70/405867770.db2.gz UBULQSMIJXAXIL-MRXNPFEDSA-N 0 3 314.433 2.500 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495653761 405927293 /nfs/dbraw/zinc/92/72/93/405927293.db2.gz CIEOLHYTCFVPQU-HZSPNIEDSA-N 0 3 311.426 2.150 20 30 DEEDHN Cc1nnc(CNC(=O)C(C#N)CCc2ccccc2)n1C1CC1 ZINC000433378701 405938326 /nfs/dbraw/zinc/93/83/26/405938326.db2.gz RBNNFMCXBSCNIP-OAHLLOKOSA-N 0 3 323.400 2.310 20 30 DEEDHN N#CC1(NC(=O)C2CN(C3CCCCC3)C2)CCSCC1 ZINC000457679718 405947885 /nfs/dbraw/zinc/94/78/85/405947885.db2.gz VTPGRKOHOYCCML-UHFFFAOYSA-N 0 3 307.463 2.156 20 30 DEEDHN CC#CCN(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000457695763 405955440 /nfs/dbraw/zinc/95/54/40/405955440.db2.gz OXPQOBZWDCGTAZ-SFHVURJKSA-N 0 3 313.445 2.488 20 30 DEEDHN CCN1C[C@H](C)N(Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459457021 405909081 /nfs/dbraw/zinc/90/90/81/405909081.db2.gz IFJNUTMUSXVHDG-STQMWFEESA-N 0 3 302.378 2.381 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@H](C#N)CCC#N)C1 ZINC000495542592 405922452 /nfs/dbraw/zinc/92/24/52/405922452.db2.gz PHDSWAWQWWKIDI-ILXRZTDVSA-N 0 3 306.410 2.277 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459669634 406001147 /nfs/dbraw/zinc/00/11/47/406001147.db2.gz DUERXAVDKNXNHO-CVEARBPZSA-N 0 3 315.417 2.266 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000565229180 406071091 /nfs/dbraw/zinc/07/10/91/406071091.db2.gz PWGKBYXSFZNSGU-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634272594 406076317 /nfs/dbraw/zinc/07/63/17/406076317.db2.gz FJPVKDNBYQUGFE-QGZVFWFLSA-N 0 3 302.418 2.278 20 30 DEEDHN C=CCN(CC=C)C(=O)CNC1(CC(=O)OC)CCCCC1 ZINC000533068059 406117850 /nfs/dbraw/zinc/11/78/50/406117850.db2.gz ALAFSDRHNVVJGX-UHFFFAOYSA-N 0 3 308.422 2.043 20 30 DEEDHN COC(C)(C)C[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000567689940 406119610 /nfs/dbraw/zinc/11/96/10/406119610.db2.gz UIXLXHZJWTYVHM-ZDUSSCGKSA-N 0 3 324.446 2.125 20 30 DEEDHN CC(C)Oc1ccc([C@@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000518757571 406155394 /nfs/dbraw/zinc/15/53/94/406155394.db2.gz FJPRBKQRPATTIN-WBVHZDCISA-N 0 3 319.449 2.331 20 30 DEEDHN C=C(C)CN(C)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000487026389 406198227 /nfs/dbraw/zinc/19/82/27/406198227.db2.gz JGEXMTHHILMJFG-UHFFFAOYSA-N 0 3 319.449 2.387 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000632617288 406201286 /nfs/dbraw/zinc/20/12/86/406201286.db2.gz UMIKSNIAJYSJAV-NVXWUHKLSA-N 0 3 322.474 2.250 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000632617289 406201515 /nfs/dbraw/zinc/20/15/15/406201515.db2.gz UMIKSNIAJYSJAV-RDJZCZTQSA-N 0 3 322.474 2.250 20 30 DEEDHN O[C@@H](CNCC#Cc1cccc(F)c1)COCc1ccccc1 ZINC000568503420 406219582 /nfs/dbraw/zinc/21/95/82/406219582.db2.gz WNEIAVCQEZQDHJ-IBGZPJMESA-N 0 3 313.372 2.345 20 30 DEEDHN N#CC1(CCN2CCC(N3CN=NC3=O)CC2)CCCCC1 ZINC000569115752 406225047 /nfs/dbraw/zinc/22/50/47/406225047.db2.gz WQNZNVAIMAOMEN-UHFFFAOYSA-N 0 3 303.410 2.485 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000545999401 406342479 /nfs/dbraw/zinc/34/24/79/406342479.db2.gz PLOVSYGZNPYPKY-AWEZNQCLSA-N 0 3 312.373 2.045 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000545999203 406342885 /nfs/dbraw/zinc/34/28/85/406342885.db2.gz LBOSZIPVDGYRLL-DGCLKSJQSA-N 0 3 302.378 2.171 20 30 DEEDHN N#CCC1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000541949282 406302233 /nfs/dbraw/zinc/30/22/33/406302233.db2.gz SXFHINWSHQBSJJ-UHFFFAOYSA-N 0 3 304.369 2.362 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1c(OC)cccc1OC ZINC000489423184 406404705 /nfs/dbraw/zinc/40/47/05/406404705.db2.gz HNNCFKAHAREVOQ-LSDHHAIUSA-N 0 3 321.417 2.484 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000489430233 406405085 /nfs/dbraw/zinc/40/50/85/406405085.db2.gz QIEAJYYQRSIFAM-UONOGXRCSA-N 0 3 306.362 2.375 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000489580017 406419331 /nfs/dbraw/zinc/41/93/31/406419331.db2.gz CUNWFEJBCGJVDM-QLFBSQMISA-N 0 3 302.484 2.238 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000492309200 286698794 /nfs/dbraw/zinc/69/87/94/286698794.db2.gz BYOPSAAWFDXDKN-YVDRWBGASA-N 0 3 315.442 2.075 20 30 DEEDHN C#CCN1CCC(C(=O)N(CCN(C)C)C2CCCCC2)CC1 ZINC000490650425 406478891 /nfs/dbraw/zinc/47/88/91/406478891.db2.gz MUTOGYUQBDJTNO-UHFFFAOYSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490096142 406452191 /nfs/dbraw/zinc/45/21/91/406452191.db2.gz TWQZWUDVBWXKEL-GOEBONIOSA-N 0 3 315.417 2.185 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@@H](CO)CN1CCCC1)c1ccccc1 ZINC000640321221 406464371 /nfs/dbraw/zinc/46/43/71/406464371.db2.gz CIHGIPJJQDFWEU-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCSc2ccccn2)CC1 ZINC000491126056 406531354 /nfs/dbraw/zinc/53/13/54/406531354.db2.gz KHHYWOFWTVSCRC-UHFFFAOYSA-N 0 3 317.458 2.025 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548640258 406535159 /nfs/dbraw/zinc/53/51/59/406535159.db2.gz SUSOSMYJXNYXJD-MEBBXXQBSA-N 0 3 303.793 2.424 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000490891241 406502116 /nfs/dbraw/zinc/50/21/16/406502116.db2.gz BMYIQTVPHDCZBG-MSOLQXFVSA-N 0 3 309.413 2.100 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1 ZINC000491461990 406598576 /nfs/dbraw/zinc/59/85/76/406598576.db2.gz GGZSOUKDTPHKIQ-WQVCFCJDSA-N 0 3 303.381 2.282 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000491339802 406572398 /nfs/dbraw/zinc/57/23/98/406572398.db2.gz SOWHTLBDGSIGSW-INIZCTEOSA-N 0 3 321.465 2.123 20 30 DEEDHN C#CCN(C[C@H](O)CO[C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000491370658 406579879 /nfs/dbraw/zinc/57/98/79/406579879.db2.gz ADNGTEFPEKLZMS-IEZWGBDMSA-N 0 3 317.429 2.022 20 30 DEEDHN C#CCN(C)CCCN[C@@H](C)c1cncc(Br)c1 ZINC000491646323 406648942 /nfs/dbraw/zinc/64/89/42/406648942.db2.gz STNYKBMUMOEXBK-LBPRGKRZSA-N 0 3 310.239 2.450 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2sccc2[C@H]1C ZINC000491698043 406674642 /nfs/dbraw/zinc/67/46/42/406674642.db2.gz ACIBLJBKZOZWQI-CYBMUJFWSA-N 0 3 305.447 2.332 20 30 DEEDHN C#C[C@@H](NC1CCN(C(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC000491699799 406675737 /nfs/dbraw/zinc/67/57/37/406675737.db2.gz CQJKEXLRLQJOLP-MRXNPFEDSA-N 0 3 303.381 2.236 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000491702390 406676567 /nfs/dbraw/zinc/67/65/67/406676567.db2.gz GDVNJCZNCYQSTN-WCQYABFASA-N 0 3 312.207 2.142 20 30 DEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000491629694 406640029 /nfs/dbraw/zinc/64/00/29/406640029.db2.gz PRAKAOKJPDGQQP-UHFFFAOYSA-N 0 3 307.325 2.406 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(OC)cc2)CCC1 ZINC000491639050 406644093 /nfs/dbraw/zinc/64/40/93/406644093.db2.gz WLEWVEROCDSWCH-UHFFFAOYSA-N 0 3 314.429 2.188 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)n1cc(CNC2CCCC2)nn1 ZINC000640921097 406742191 /nfs/dbraw/zinc/74/21/91/406742191.db2.gz RPYKBXHFPQBMGS-CQSZACIVSA-N 0 3 317.437 2.072 20 30 DEEDHN CN(C)C/C=C\C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000491850097 406746858 /nfs/dbraw/zinc/74/68/58/406746858.db2.gz PTLZCJBAVZVSGN-SCOBNMCVSA-N 0 3 322.206 2.248 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000491782783 406717066 /nfs/dbraw/zinc/71/70/66/406717066.db2.gz ODKNYMCBIMRCRA-KRWDZBQOSA-N 0 3 313.445 2.360 20 30 DEEDHN C#C[C@H](CCC)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000491782785 406717420 /nfs/dbraw/zinc/71/74/20/406717420.db2.gz ODKNYMCBIMRCRA-QGZVFWFLSA-N 0 3 313.445 2.360 20 30 DEEDHN CC(C)OCCCNC(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000573254322 406770871 /nfs/dbraw/zinc/77/08/71/406770871.db2.gz ZTDHRUBYIPRZEW-HNNXBMFYSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(Cc2ccccc2)C1 ZINC000577501774 406839199 /nfs/dbraw/zinc/83/91/99/406839199.db2.gz LMQUIWKWUZGARS-GOSISDBHSA-N 0 3 308.385 2.281 20 30 DEEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ncc(C#N)cc1C ZINC000556244342 406866674 /nfs/dbraw/zinc/86/66/74/406866674.db2.gz MSROLJSQHISNBN-OAHLLOKOSA-N 0 3 300.406 2.208 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646922258 406926078 /nfs/dbraw/zinc/92/60/78/406926078.db2.gz KXUWOKQYRZWNIT-CJNGLKHVSA-N 0 3 316.401 2.036 20 30 DEEDHN Cc1cccc(CCCNCc2cnc3c(C#N)cnn3c2)n1 ZINC000571087990 292525649 /nfs/dbraw/zinc/52/56/49/292525649.db2.gz NRNZEKJTTAUPDF-UHFFFAOYSA-N 0 3 306.373 2.027 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001355041904 1151974373 /nfs/dbraw/zinc/97/43/73/1151974373.db2.gz DWJITJVEQRVFJU-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cn2)CCO1 ZINC000248705402 225239637 /nfs/dbraw/zinc/23/96/37/225239637.db2.gz ASEIRNJNFQNLMB-BFYDXBDKSA-N 0 3 314.433 2.479 20 30 DEEDHN COc1cnc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)s1 ZINC000330716091 226025627 /nfs/dbraw/zinc/02/56/27/226025627.db2.gz BWSUNGMLTGQNQN-SNVBAGLBSA-N 0 3 312.439 2.359 20 30 DEEDHN C[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1cnn(C)c1 ZINC000330936536 226046074 /nfs/dbraw/zinc/04/60/74/226046074.db2.gz SLGAQSPPVPHUMJ-AWEZNQCLSA-N 0 3 321.469 2.449 20 30 DEEDHN O=C(NCC1CCN(CCO)CC1)Nc1ccc(Cl)cc1 ZINC000330690966 226023216 /nfs/dbraw/zinc/02/32/16/226023216.db2.gz GCQHMDGJQMIEBO-UHFFFAOYSA-N 0 3 311.813 2.370 20 30 DEEDHN N#CC1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCC1 ZINC000333866856 226111073 /nfs/dbraw/zinc/11/10/73/226111073.db2.gz AYXQRSFGZFRBNO-OAHLLOKOSA-N 0 3 304.438 2.340 20 30 DEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O ZINC000351413524 226676862 /nfs/dbraw/zinc/67/68/62/226676862.db2.gz LYEUDPLWQXWOHQ-GVDBMIGSSA-N 0 3 311.385 2.002 20 30 DEEDHN C[C@H](C#N)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410881740 227309147 /nfs/dbraw/zinc/30/91/47/227309147.db2.gz DXFAYZHIQCKGMU-GMTAPVOTSA-N 0 3 305.344 2.266 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(F)c1 ZINC000413903016 228394932 /nfs/dbraw/zinc/39/49/32/228394932.db2.gz PWXNFIIOGRPIPJ-UHFFFAOYSA-N 0 3 316.336 2.218 20 30 DEEDHN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)s2)CCN1C ZINC000422212029 230093833 /nfs/dbraw/zinc/09/38/33/230093833.db2.gz DISCAKJPQNEZKK-NWDGAFQWSA-N 0 3 306.435 2.244 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc(C(C)C)nc2C)[C@H]1C ZINC001088901634 782033411 /nfs/dbraw/zinc/03/34/11/782033411.db2.gz ZKBCRWSYESDXOG-ZBFHGGJFSA-N 0 3 314.433 2.124 20 30 DEEDHN Cc1cc(NC(=O)N2CCCN(C(C)C)CC2)ncc1C#N ZINC000603119010 422447846 /nfs/dbraw/zinc/44/78/46/422447846.db2.gz UPTLUSYYABWQIJ-UHFFFAOYSA-N 0 3 301.394 2.210 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000611481825 422478105 /nfs/dbraw/zinc/47/81/05/422478105.db2.gz YZIVZEZRLYQIIM-CQSZACIVSA-N 0 3 318.425 2.101 20 30 DEEDHN N#CC(C(=O)c1ccc(C(N)=O)nc1)c1nccc2ccccc21 ZINC000361526745 424844371 /nfs/dbraw/zinc/84/43/71/424844371.db2.gz QBCMVBZWPVUURW-AWEZNQCLSA-N 0 3 316.320 2.219 20 30 DEEDHN CC1CCN(CCNc2ncc(Br)cc2C#N)CC1 ZINC000336811494 424925982 /nfs/dbraw/zinc/92/59/82/424925982.db2.gz NFXOYYDQAGXKQJ-UHFFFAOYSA-N 0 3 323.238 2.860 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](N)c2cccc(Cl)c2)CC1 ZINC000649323607 424991821 /nfs/dbraw/zinc/99/18/21/424991821.db2.gz GXZNOBNSYQRNPC-OAHLLOKOSA-N 0 3 307.825 2.106 20 30 DEEDHN CCc1nc(C#N)cc(N[C@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000596217465 425021504 /nfs/dbraw/zinc/02/15/04/425021504.db2.gz RAHCHIDHWBPELK-FZKQIMNGSA-N 0 3 309.417 3.014 20 30 DEEDHN C=CCN1CCC(NC(=O)C2CCC(C(C)(C)O)CC2)CC1 ZINC000651273253 425126695 /nfs/dbraw/zinc/12/66/95/425126695.db2.gz HIAAKUNKBXNYNK-UHFFFAOYSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(COC2)C1)C(C)C ZINC000663667947 425209055 /nfs/dbraw/zinc/20/90/55/425209055.db2.gz JKDROTLIYMSIMW-MRXNPFEDSA-N 0 3 321.465 2.117 20 30 DEEDHN C=CC[C@@H]1CC[C@H]([NH2+]CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000651741347 425145298 /nfs/dbraw/zinc/14/52/98/425145298.db2.gz HIBBVMLQTHGBQS-OLZOCXBDSA-N 0 3 314.476 2.361 20 30 DEEDHN C=CCOCCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000660572853 425165012 /nfs/dbraw/zinc/16/50/12/425165012.db2.gz VUIXAFCZIDZVSJ-KRWDZBQOSA-N 0 3 319.449 2.490 20 30 DEEDHN C=CCCn1cc(CN[C@H](C)CN2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657327610 425305062 /nfs/dbraw/zinc/30/50/62/425305062.db2.gz MBVBVHLVVQPANY-OWCLPIDISA-N 0 3 305.470 2.310 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)[C@@H]2CCCCO2)CC1 ZINC000654431208 425352498 /nfs/dbraw/zinc/35/24/98/425352498.db2.gz AKDYTXBYTNHVDS-HOTGVXAUSA-N 0 3 309.454 2.284 20 30 DEEDHN CCO[C@@H]1CCN(C[C@H](O)COc2ccccc2C#N)C[C@@H]1C ZINC000528522820 267147171 /nfs/dbraw/zinc/14/71/71/267147171.db2.gz SXLCDIRRCVWMET-BHYGNILZSA-N 0 3 318.417 2.045 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000655965838 425696161 /nfs/dbraw/zinc/69/61/61/425696161.db2.gz YIRNWBNHBMOLNT-MRXNPFEDSA-N 0 3 322.497 2.010 20 30 DEEDHN N#Cc1ccc(CSCC(=O)NCCN2CCCC2)cc1 ZINC000193012439 268082899 /nfs/dbraw/zinc/08/28/99/268082899.db2.gz NGNDNEGHUKJKFY-UHFFFAOYSA-N 0 3 303.431 2.003 20 30 DEEDHN N#Cc1ccc([C@H](O)CN(CCCO)Cc2ccccc2)cc1 ZINC000268981522 268214066 /nfs/dbraw/zinc/21/40/66/268214066.db2.gz PAOKAPUUKLRNIA-LJQANCHMSA-N 0 3 310.397 2.476 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccncc2)C1 ZINC000528503890 268297245 /nfs/dbraw/zinc/29/72/45/268297245.db2.gz AMAAIPMDNXNLJO-ROUUACIJSA-N 0 3 323.396 2.182 20 30 DEEDHN Cc1nsc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1C#N ZINC000333802703 268993505 /nfs/dbraw/zinc/99/35/05/268993505.db2.gz DQSNLPUYMVWULT-LBPRGKRZSA-N 0 3 319.434 2.415 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1(C)C ZINC000514837101 269332965 /nfs/dbraw/zinc/33/29/65/269332965.db2.gz ROIUQEIRTSGHTE-OWCLPIDISA-N 0 3 313.401 2.067 20 30 DEEDHN CO[C@](C)([C@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000411956277 274086580 /nfs/dbraw/zinc/08/65/80/274086580.db2.gz VGXZKRPLKOWOSX-YVEFUNNKSA-N 0 3 319.405 2.500 20 30 DEEDHN COc1cc(CN[C@H]2COc3ccccc3[C@@H]2O)ccc1C#N ZINC000377400866 274094825 /nfs/dbraw/zinc/09/48/25/274094825.db2.gz HLVWTNOJXBMFSR-YJBOKZPZSA-N 0 3 310.353 2.151 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cnc(C#N)cn1 ZINC000345335584 274355467 /nfs/dbraw/zinc/35/54/67/274355467.db2.gz ZLHRVCNHKWSCCB-LSDHHAIUSA-N 0 3 307.401 2.447 20 30 DEEDHN CN(CCN1CCCC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329691454 276837175 /nfs/dbraw/zinc/83/71/75/276837175.db2.gz BXHRKWQGHKLKBZ-UKRRQHHQSA-N 0 3 324.469 2.462 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCC[C@H]1O)C(C)C ZINC000287358297 276891230 /nfs/dbraw/zinc/89/12/30/276891230.db2.gz ZXHZUGJDNOMZFY-BRWVUGGUSA-N 0 3 323.481 2.240 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](N2CCCCC2)C1 ZINC000264642332 277846161 /nfs/dbraw/zinc/84/61/61/277846161.db2.gz VUGRSTLNURXJDJ-IRXDYDNUSA-N 0 3 305.466 2.136 20 30 DEEDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000278266327 278108299 /nfs/dbraw/zinc/10/82/99/278108299.db2.gz OJKPCLMVAIGPLR-JKSUJKDBSA-N 0 3 306.431 2.403 20 30 DEEDHN CC(C#N)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000357828114 278132724 /nfs/dbraw/zinc/13/27/24/278132724.db2.gz NXJYQYSEEWMOEO-KFWWJZLASA-N 0 3 315.417 2.072 20 30 DEEDHN CS[C@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000413225537 278168515 /nfs/dbraw/zinc/16/85/15/278168515.db2.gz GXAFVOQLMCTOGB-KBPBESRZSA-N 0 3 306.410 2.108 20 30 DEEDHN CN(C)C1(CNC(=O)N2CCCC[C@H]2c2ccnn2C)CCC1 ZINC000329816992 289042140 /nfs/dbraw/zinc/04/21/40/289042140.db2.gz FQUVCQRUNIIMHX-HNNXBMFYSA-N 0 3 319.453 2.345 20 30 DEEDHN C[C@H](N[C@@H]1CCCC[C@@H]1OC(F)F)C(=O)NC1(C#N)CCC1 ZINC000337382557 290005266 /nfs/dbraw/zinc/00/52/66/290005266.db2.gz DRJATNMCHPCACL-TUAOUCFPSA-N 0 3 315.364 2.077 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@H]1CCN1C1CCOCC1)c1ccccc1 ZINC001349458929 1151252110 /nfs/dbraw/zinc/25/21/10/1151252110.db2.gz GBBDUKPZYLJPSE-ZWKOTPCHSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)[C@H]1C ZINC001088970980 782089949 /nfs/dbraw/zinc/08/99/49/782089949.db2.gz WJCVKVOIXJGLBG-WBVHZDCISA-N 0 3 318.465 2.388 20 30 DEEDHN CC(C)CC1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000567685212 325840826 /nfs/dbraw/zinc/84/08/26/325840826.db2.gz XNMKVXRKZNHHDD-UHFFFAOYSA-N 0 3 321.446 2.143 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000584271842 332179497 /nfs/dbraw/zinc/17/94/97/332179497.db2.gz BEUMXJWWBRIRTK-OAHLLOKOSA-N 0 3 306.454 2.442 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCOCC2CC2)CC1 ZINC000087088505 333134930 /nfs/dbraw/zinc/13/49/30/333134930.db2.gz JMSQQSYNHLBQMF-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN CN1CCC(NN=C2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000497189659 333219753 /nfs/dbraw/zinc/21/97/53/333219753.db2.gz IOLJJJFWYOXKSN-ZDUSSCGKSA-N 0 3 324.469 2.351 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(OC)cc(OC)c2)[C@H]1C ZINC001089002503 782109199 /nfs/dbraw/zinc/10/91/99/782109199.db2.gz QFQNHQGEHCMTIE-DYVFJYSZSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734708 337168942 /nfs/dbraw/zinc/16/89/42/337168942.db2.gz WGPKYOJQCZKFDH-YVEFUNNKSA-N 0 3 316.401 2.189 20 30 DEEDHN CC(C)C[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000395351822 337213759 /nfs/dbraw/zinc/21/37/59/337213759.db2.gz IZBPDJFKFMLFNX-GDBMZVCRSA-N 0 3 306.431 2.356 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C#N)CC2)C1 ZINC000582941541 337220252 /nfs/dbraw/zinc/22/02/52/337220252.db2.gz VIBMHKPXDJATMN-ZBFHGGJFSA-N 0 3 312.417 2.425 20 30 DEEDHN C=CCn1c(N)nnc1SCCN(C)Cc1ccc(F)cc1 ZINC000185687368 337250163 /nfs/dbraw/zinc/25/01/63/337250163.db2.gz MWTBPXGQAKDOED-UHFFFAOYSA-N 0 3 321.425 2.410 20 30 DEEDHN C[C@H]1CN(c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cn2)CCO1 ZINC000185712074 337250644 /nfs/dbraw/zinc/25/06/44/337250644.db2.gz ASEIRNJNFQNLMB-YQQAZPJKSA-N 0 3 314.433 2.479 20 30 DEEDHN N#CCSCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032655466 337391992 /nfs/dbraw/zinc/39/19/92/337391992.db2.gz KXGCJUGYJKGGFH-UHFFFAOYSA-N 0 3 303.431 2.024 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000496293412 340002348 /nfs/dbraw/zinc/00/23/48/340002348.db2.gz NTPAVIBNPSLHIC-LBPRGKRZSA-N 0 3 317.389 2.487 20 30 DEEDHN CC(=NNC1CCN(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496506683 340006873 /nfs/dbraw/zinc/00/68/73/340006873.db2.gz UTZSPOOHINXLFY-AWEZNQCLSA-N 0 3 324.469 2.303 20 30 DEEDHN N#CCCC[C@@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1ccccc1 ZINC000496580594 340008230 /nfs/dbraw/zinc/00/82/30/340008230.db2.gz IKUZMVSMURYGFB-CQSZACIVSA-N 0 3 318.377 2.206 20 30 DEEDHN N#CCCC[C@@H]([NH2+]CCCOC([O-])=NC(N)=O)c1ccccc1 ZINC000496580594 340008231 /nfs/dbraw/zinc/00/82/31/340008231.db2.gz IKUZMVSMURYGFB-CQSZACIVSA-N 0 3 318.377 2.206 20 30 DEEDHN COCCN(CCN[C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496619138 340009019 /nfs/dbraw/zinc/00/90/19/340009019.db2.gz WWPJAZJAMJEFSC-KGLIPLIRSA-N 0 3 311.426 2.152 20 30 DEEDHN C=CCCN1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496728373 340011508 /nfs/dbraw/zinc/01/15/08/340011508.db2.gz TUGLRQIDYKQYBV-LSDHHAIUSA-N 0 3 320.437 2.289 20 30 DEEDHN C=CCN(CCOC)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496781954 340012806 /nfs/dbraw/zinc/01/28/06/340012806.db2.gz QXMCBRTZENVISI-YOEHRIQHSA-N 0 3 310.438 2.378 20 30 DEEDHN C=CCN(C)CCN(CC)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000496814346 340013572 /nfs/dbraw/zinc/01/35/72/340013572.db2.gz JUSRFSKUOVGYHV-QGZVFWFLSA-N 0 3 317.433 2.452 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCc2sc(Cl)cc21 ZINC000572512844 340134590 /nfs/dbraw/zinc/13/45/90/340134590.db2.gz LZGRBLVVGVXRHT-CMPLNLGQSA-N 0 3 313.854 2.185 20 30 DEEDHN C#CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000304989278 340373631 /nfs/dbraw/zinc/37/36/31/340373631.db2.gz KQEAMGOPJSCSAJ-MRXNPFEDSA-N 0 3 318.373 2.212 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000195003114 340572574 /nfs/dbraw/zinc/57/25/74/340572574.db2.gz UOHKVRUHRLNANF-UHFFFAOYSA-N 0 3 320.776 2.352 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(CC#N)CC1 ZINC000542855011 341023715 /nfs/dbraw/zinc/02/37/15/341023715.db2.gz YLGDXFJIIBGDAT-HUUCEWRRSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H](C#N)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078598103 341244662 /nfs/dbraw/zinc/24/46/62/341244662.db2.gz ANZVLMIIQFGGKA-ZFWWWQNUSA-N 0 3 303.381 2.314 20 30 DEEDHN C=C(C)Cn1c(CC)nnc1N1CCN(C2CCCC2)CC1 ZINC000549287775 341290412 /nfs/dbraw/zinc/29/04/12/341290412.db2.gz NFLUGTZYIQFHHR-UHFFFAOYSA-N 0 3 303.454 2.481 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)[C@H]1C ZINC001089017013 782114650 /nfs/dbraw/zinc/11/46/50/782114650.db2.gz HVMJQXNIMFRIMQ-HIFRSBDPSA-N 0 3 318.417 2.011 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001357011368 1152211864 /nfs/dbraw/zinc/21/18/64/1152211864.db2.gz JUBXWTCUUBIFCB-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@H]1C ZINC001089039600 782124758 /nfs/dbraw/zinc/12/47/58/782124758.db2.gz VUMZHDBDVFXILM-DOMZBBRYSA-N 0 3 315.417 2.045 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001357326254 1152289390 /nfs/dbraw/zinc/28/93/90/1152289390.db2.gz IFDGNFFZPZXCNN-QGZVFWFLSA-N 0 3 317.433 2.027 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncnc2C(C)C)[C@H]1C ZINC001089043552 782134056 /nfs/dbraw/zinc/13/40/56/782134056.db2.gz JIEMSFDFDFSFIF-HIFRSBDPSA-N 0 3 302.422 2.369 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCOCC3(CCCC3)C2)c1 ZINC001413983759 1152395092 /nfs/dbraw/zinc/39/50/92/1152395092.db2.gz VZWVROJUGGXDLS-KRWDZBQOSA-N 0 3 300.402 2.484 20 30 DEEDHN Cc1c([C@H](C)NC(=O)NC[C@H]2N(C)CCCC2(C)C)cnn1C ZINC000331327866 533951669 /nfs/dbraw/zinc/95/16/69/533951669.db2.gz PQLJHAHCZYOPDW-SWLSCSKDSA-N 0 3 321.469 2.414 20 30 DEEDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000179954911 533959567 /nfs/dbraw/zinc/95/95/67/533959567.db2.gz XKKAAVZXVKTVRM-GFCCVEGCSA-N 0 3 307.369 2.247 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001368822910 1148690512 /nfs/dbraw/zinc/69/05/12/1148690512.db2.gz PDTMZEBHSMUGOU-UHFFFAOYSA-N 0 3 308.813 2.138 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)C[C@H](c2ccsc2)O1 ZINC000424123005 534371962 /nfs/dbraw/zinc/37/19/62/534371962.db2.gz JNAFHUFOZFPSKO-KWCYVHTRSA-N 0 3 307.419 2.058 20 30 DEEDHN CCN(CCCS(=O)(=O)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000336859685 521040833 /nfs/dbraw/zinc/04/08/33/521040833.db2.gz JUXICBXNPIYGIE-AWEZNQCLSA-N 0 3 323.462 2.223 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](O)CN2CCC(C)CC2)CCCC1 ZINC000449849206 534590296 /nfs/dbraw/zinc/59/02/96/534590296.db2.gz ISIXVVSQLGLIKG-INIZCTEOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN(CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191100460 526300482 /nfs/dbraw/zinc/30/04/82/526300482.db2.gz CHYWXYIASHEQTP-UHFFFAOYSA-N 0 3 307.350 2.058 20 30 DEEDHN C=CCN1CC(=O)N(C[C@H]2CCCN2Cc2ccccc2)C1=O ZINC000372916334 526412984 /nfs/dbraw/zinc/41/29/84/526412984.db2.gz VMZHZISEFQMOTO-MRXNPFEDSA-N 0 3 313.401 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H](CC)CCCC)CC1 ZINC000339420700 526419314 /nfs/dbraw/zinc/41/93/14/526419314.db2.gz WSUSOVBRNDNHLA-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)OCc2ccc(F)cc2)CC1 ZINC000294625271 526443307 /nfs/dbraw/zinc/44/33/07/526443307.db2.gz NVYLWEKCNRCXCQ-CQSZACIVSA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@](C)(O)c2ccc(Cl)cc2)CC1 ZINC000293012173 526444514 /nfs/dbraw/zinc/44/45/14/526444514.db2.gz HDTASZLHPASLKQ-QGZVFWFLSA-N 0 3 322.836 2.314 20 30 DEEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(-n3cccn3)cc2)C1=O ZINC000281149648 526512572 /nfs/dbraw/zinc/51/25/72/526512572.db2.gz JVUVTBZPRCJECD-YOEHRIQHSA-N 0 3 310.401 2.310 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429382068 526538949 /nfs/dbraw/zinc/53/89/49/526538949.db2.gz WKXJWIVCABRSBW-PMPSAXMXSA-N 0 3 324.465 2.319 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000437987006 526795315 /nfs/dbraw/zinc/79/53/15/526795315.db2.gz OEHDVVQUQVUYPN-RDJZCZTQSA-N 0 3 321.465 2.237 20 30 DEEDHN C=C1CCN(C[C@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000293085226 526904835 /nfs/dbraw/zinc/90/48/35/526904835.db2.gz MSTICATWICWXII-KRWDZBQOSA-N 0 3 305.418 2.267 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCN1CCCCCC1 ZINC000341422394 526961171 /nfs/dbraw/zinc/96/11/71/526961171.db2.gz XPGZLOURXHPUJD-UHFFFAOYSA-N 0 3 303.406 2.252 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000341437133 526961311 /nfs/dbraw/zinc/96/13/11/526961311.db2.gz YBAJIQLYYIGTKE-CQSZACIVSA-N 0 3 305.422 2.353 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H]1CCCCN1CC ZINC000341548667 526963622 /nfs/dbraw/zinc/96/36/22/526963622.db2.gz PKCWYVZSFBZPNC-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCSCCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417339656 526992699 /nfs/dbraw/zinc/99/26/99/526992699.db2.gz IQIQOINDLCYLOP-OAHLLOKOSA-N 0 3 307.463 2.467 20 30 DEEDHN C=CCCCCCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368620507 527114905 /nfs/dbraw/zinc/11/49/05/527114905.db2.gz ZZCQZXCVERBBOD-JKSUJKDBSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCCCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000376309252 527151930 /nfs/dbraw/zinc/15/19/30/527151930.db2.gz DEZFQGIBNAOSCW-IAGOWNOFSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCOC[C@@H](C)C1 ZINC000338248974 527265023 /nfs/dbraw/zinc/26/50/23/527265023.db2.gz AZAOCXVZANUNBV-DOTOQJQBSA-N 0 3 305.418 2.123 20 30 DEEDHN CC(C)C(=O)NCCNCc1cccc(OCCCC#N)c1 ZINC000236787705 527507441 /nfs/dbraw/zinc/50/74/41/527507441.db2.gz NQOYTCQUYXBNMA-UHFFFAOYSA-N 0 3 303.406 2.231 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429015109 527633982 /nfs/dbraw/zinc/63/39/82/527633982.db2.gz ZLYQCDPGCOJDPR-XWTMOSNGSA-N 0 3 319.493 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1nc(C)no1)C(C)C ZINC000296748259 527649907 /nfs/dbraw/zinc/64/99/07/527649907.db2.gz ICMUDNFFXVUNQH-CYBMUJFWSA-N 0 3 307.398 2.198 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000177360387 535862450 /nfs/dbraw/zinc/86/24/50/535862450.db2.gz UINSETOPCPGUMP-MSOLQXFVSA-N 0 3 311.429 2.495 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1ccncc1Cl ZINC001378972392 1152513498 /nfs/dbraw/zinc/51/34/98/1152513498.db2.gz XXFJHCCPPDFBDQ-BXUZGUMPSA-N 0 3 308.813 2.125 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cncnc1CC)C(C)C ZINC001378998807 1152523667 /nfs/dbraw/zinc/52/36/67/1152523667.db2.gz JVNPFQZBULHHCD-CQSZACIVSA-N 0 3 310.829 2.136 20 30 DEEDHN COCC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C)CCC1)C2 ZINC001327532412 1148579292 /nfs/dbraw/zinc/57/92/92/1148579292.db2.gz XOKAYKPFKJDQMW-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@H](C)NCc1cc(O)ccc1Cl ZINC001368707368 1148600200 /nfs/dbraw/zinc/60/02/00/1148600200.db2.gz LLVZAZNCFJENAZ-MNOVXSKESA-N 0 3 309.797 2.190 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001368719264 1148612745 /nfs/dbraw/zinc/61/27/45/1148612745.db2.gz SRAASQSUGQMAJS-JTQLQIEISA-N 0 3 322.796 2.119 20 30 DEEDHN Cc1nc(CCN2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)cs1 ZINC001369761610 1149154800 /nfs/dbraw/zinc/15/48/00/1149154800.db2.gz 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/nfs/dbraw/zinc/78/39/88/606783988.db2.gz OIGJDOCYCAFBNJ-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN C#CC[N@@H+](CCOc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000819701831 606783990 /nfs/dbraw/zinc/78/39/90/606783990.db2.gz OIGJDOCYCAFBNJ-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)C(C)C ZINC000823919480 607921132 /nfs/dbraw/zinc/92/11/32/607921132.db2.gz HQGBYDFUXCBSHZ-UHFFFAOYSA-N 0 3 315.377 2.050 20 30 DEEDHN C=CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)C(C)C ZINC000823919480 607921133 /nfs/dbraw/zinc/92/11/33/607921133.db2.gz HQGBYDFUXCBSHZ-UHFFFAOYSA-N 0 3 315.377 2.050 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001025224711 625282090 /nfs/dbraw/zinc/28/20/90/625282090.db2.gz UMJGHUJQXLZKGM-HOTGVXAUSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(COC)cs2)C1 ZINC001023468423 625283598 /nfs/dbraw/zinc/28/35/98/625283598.db2.gz SZHKTQBPMNMSQR-CQSZACIVSA-N 0 3 320.458 2.360 20 30 DEEDHN 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C#Cc1ccc(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000891313798 623975962 /nfs/dbraw/zinc/97/59/62/623975962.db2.gz YPJUPVIFFYVWHX-QZTJIDSGSA-N 0 3 322.412 2.075 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cccc2)C1 ZINC001021699998 623981393 /nfs/dbraw/zinc/98/13/93/623981393.db2.gz LYOULSAELNTXHN-QZTJIDSGSA-N 0 3 313.445 2.214 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2sccc2OC)C1 ZINC001021717730 624001754 /nfs/dbraw/zinc/00/17/54/624001754.db2.gz QRFLHUHRTFTHGT-ZIAGYGMSSA-N 0 3 318.442 2.316 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]3CN(CC#CC)CC[C@@H]32)nc1 ZINC001021718283 624002841 /nfs/dbraw/zinc/00/28/41/624002841.db2.gz WGEVFABQSQPINN-HKUYNNGSSA-N 0 3 321.424 2.013 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2scnc2Cl)C1 ZINC001021738793 624022035 /nfs/dbraw/zinc/02/20/35/624022035.db2.gz BNXYPJCDJUZCNP-VXGBXAGGSA-N 0 3 323.849 2.356 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2c(C)nsc2C)C1 ZINC001021739293 624023220 /nfs/dbraw/zinc/02/32/20/624023220.db2.gz ILQVUQVCFZQVLM-GJZGRUSLSA-N 0 3 317.458 2.320 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001026733121 625700749 /nfs/dbraw/zinc/70/07/49/625700749.db2.gz RMUCAQUZGNXHHE-NWDGAFQWSA-N 0 3 307.344 2.063 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)ncn2)C[C@@H]1C ZINC000947445375 624123934 /nfs/dbraw/zinc/12/39/34/624123934.db2.gz KZMKMOIEHBIOGK-QWRGUYRKSA-N 0 3 310.348 2.183 20 30 DEEDHN COc1cccc(CN(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)c1 ZINC000971508863 624177985 /nfs/dbraw/zinc/17/79/85/624177985.db2.gz PIBIQFRYPYMFMH-KRWDZBQOSA-N 0 3 312.413 2.141 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC000971545089 624185392 /nfs/dbraw/zinc/18/53/92/624185392.db2.gz JOHQBRDSQAUCPG-GXTWGEPZSA-N 0 3 321.446 2.327 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001022104823 624200342 /nfs/dbraw/zinc/20/03/42/624200342.db2.gz DZTPBUBLBCWHSH-PHIMTYICSA-N 0 3 310.829 2.310 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc3cccnc3c2)C1 ZINC000971776328 624543532 /nfs/dbraw/zinc/54/35/32/624543532.db2.gz OIULMWLEGHOFLL-KRWDZBQOSA-N 0 3 309.413 2.496 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CCOC2)c1 ZINC000176090579 624623554 /nfs/dbraw/zinc/62/35/54/624623554.db2.gz AVEVZYRCRPOWRF-IUODEOHRSA-N 0 3 316.357 2.159 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CCOC2)cc1 ZINC000176097066 624624372 /nfs/dbraw/zinc/62/43/72/624624372.db2.gz UAPYANRJQMTRDU-IUODEOHRSA-N 0 3 316.357 2.159 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2coc(-c3ccccn3)n2)C1 ZINC000971864421 624665515 /nfs/dbraw/zinc/66/55/15/624665515.db2.gz ZYCQATYFPHWIRT-CYBMUJFWSA-N 0 3 312.373 2.069 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC000971938704 624723426 /nfs/dbraw/zinc/72/34/26/624723426.db2.gz WQXLPOCATCTPRT-AEFFLSMTSA-N 0 3 314.429 2.407 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccncc2OC(C)C)C1 ZINC000972007248 624767156 /nfs/dbraw/zinc/76/71/56/624767156.db2.gz XXTOSAQELMPIPB-CQSZACIVSA-N 0 3 303.406 2.201 20 30 DEEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cncs1 ZINC000934196678 624779454 /nfs/dbraw/zinc/77/94/54/624779454.db2.gz WQWKDDPYWBVBEP-DGCLKSJQSA-N 0 3 303.387 2.105 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC(OC)CC2)C1 ZINC001022621974 624787242 /nfs/dbraw/zinc/78/72/42/624787242.db2.gz AVFPWKVDSWROJZ-AKJUYKBHSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2coc(=O)c3ccccc23)C1 ZINC000972059892 624810266 /nfs/dbraw/zinc/81/02/66/624810266.db2.gz XZNOMYDMLPGYLU-CYBMUJFWSA-N 0 3 312.369 2.125 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCn2cc(Cl)cn2)C1 ZINC000972080240 624825490 /nfs/dbraw/zinc/82/54/90/624825490.db2.gz UBKIYVVOQGSLGW-CQSZACIVSA-N 0 3 324.856 2.281 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2COC)C[C@@H]1C ZINC000947492205 624845192 /nfs/dbraw/zinc/84/51/92/624845192.db2.gz HJNSOQJEYKDBLO-DOTOQJQBSA-N 0 3 314.429 2.439 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC001022774653 624912890 /nfs/dbraw/zinc/91/28/90/624912890.db2.gz ADBIVDHOEPAUNL-TXEJJXNPSA-N 0 3 314.763 2.497 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001024750796 625033969 /nfs/dbraw/zinc/03/39/69/625033969.db2.gz WOVSZKOZJKIUMU-KRWDZBQOSA-N 0 3 316.449 2.454 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001024751562 625035406 /nfs/dbraw/zinc/03/54/06/625035406.db2.gz GWUKVRSLAFOBBO-HNNXBMFYSA-N 0 3 316.449 2.449 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001024751562 625035417 /nfs/dbraw/zinc/03/54/17/625035417.db2.gz GWUKVRSLAFOBBO-HNNXBMFYSA-N 0 3 316.449 2.449 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001020172824 625044347 /nfs/dbraw/zinc/04/43/47/625044347.db2.gz DZTPBUBLBCWHSH-XYPYZODXSA-N 0 3 310.829 2.310 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001020326378 625061861 /nfs/dbraw/zinc/06/18/61/625061861.db2.gz OMAWNYUEZJQIGT-ZKCHVHJHSA-N 0 3 323.702 2.296 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001024805045 625063158 /nfs/dbraw/zinc/06/31/58/625063158.db2.gz NEUPQHSWZKIPMU-OAHLLOKOSA-N 0 3 314.433 2.208 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001024807292 625063826 /nfs/dbraw/zinc/06/38/26/625063826.db2.gz BCDNJPCYOKORNK-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001024817008 625066388 /nfs/dbraw/zinc/06/63/88/625066388.db2.gz SMGYQFKOEABXLD-CQSZACIVSA-N 0 3 305.447 2.368 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001022887063 625068851 /nfs/dbraw/zinc/06/88/51/625068851.db2.gz YWZDOULYEWZIHV-BETUJISGSA-N 0 3 310.829 2.204 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000972426380 625072773 /nfs/dbraw/zinc/07/27/73/625072773.db2.gz SSFOJBATIHACDC-IRXDYDNUSA-N 0 3 309.413 2.391 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001022932999 625107512 /nfs/dbraw/zinc/10/75/12/625107512.db2.gz NWYWQBBKPQOPIP-XQLPTFJDSA-N 0 3 314.857 2.427 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC000972484544 625118251 /nfs/dbraw/zinc/11/82/51/625118251.db2.gz DFFPPLGUILHGER-SNVBAGLBSA-N 0 3 316.327 2.069 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001023042906 625143361 /nfs/dbraw/zinc/14/33/61/625143361.db2.gz VSLKWLJBAAAROU-GASCZTMLSA-N 0 3 319.836 2.282 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000947662592 625187415 /nfs/dbraw/zinc/18/74/15/625187415.db2.gz JHFKUHFBGPGUAQ-OCCSQVGLSA-N 0 3 306.356 2.110 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001025070456 625193545 /nfs/dbraw/zinc/19/35/45/625193545.db2.gz ZDIXCLYEELRYQP-PBHICJAKSA-N 0 3 319.453 2.186 20 30 DEEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893195014 625219504 /nfs/dbraw/zinc/21/95/04/625219504.db2.gz PXHJQJZEQUVXGQ-NUEKZKHPSA-N 0 3 306.431 2.444 20 30 DEEDHN C=CCn1cccc1C(=O)N(C)C1CC(NCc2ccccn2)C1 ZINC000998904679 634444182 /nfs/dbraw/zinc/44/41/82/634444182.db2.gz ZCUASASGRXUZTB-UHFFFAOYSA-N 0 3 324.428 2.462 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3scnc32)C1 ZINC001023367895 625241082 /nfs/dbraw/zinc/24/10/82/625241082.db2.gz AYRVYDMHJMNZIP-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccnn2C2CCC2)C1 ZINC001023374649 625245561 /nfs/dbraw/zinc/24/55/61/625245561.db2.gz WEBNQHICYVRVFI-OAHLLOKOSA-N 0 3 314.433 2.073 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCOCC1 ZINC001025190400 625251268 /nfs/dbraw/zinc/25/12/68/625251268.db2.gz WUCSTUONRYHNPL-ROUUACIJSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnccn1 ZINC001025194176 625256032 /nfs/dbraw/zinc/25/60/32/625256032.db2.gz BMHLCYAALSTFMO-HOTGVXAUSA-N 0 3 300.406 2.122 20 30 DEEDHN C#CCCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cnns1 ZINC001025208557 625267164 /nfs/dbraw/zinc/26/71/64/625267164.db2.gz WLKJBDPKNDEOQD-KBPBESRZSA-N 0 3 318.446 2.021 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(CC)cn1 ZINC000892464688 625735982 /nfs/dbraw/zinc/73/59/82/625735982.db2.gz ISGYPDZNMPEWKD-HNNXBMFYSA-N 0 3 301.390 2.202 20 30 DEEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001024445529 625770045 /nfs/dbraw/zinc/77/00/45/625770045.db2.gz OWFNMGSNISGLGS-GFCCVEGCSA-N 0 3 309.435 2.312 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001024466480 625797762 /nfs/dbraw/zinc/79/77/62/625797762.db2.gz ALBBROJBQKJJQU-HNNXBMFYSA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001024484401 625809395 /nfs/dbraw/zinc/80/93/95/625809395.db2.gz SKCUZEGSQSQBCS-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001024535647 625853986 /nfs/dbraw/zinc/85/39/86/625853986.db2.gz WPAXNOYSDXOPTA-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001019995298 625867188 /nfs/dbraw/zinc/86/71/88/625867188.db2.gz WFPNGPWVVZCFFM-HAQNSBGRSA-N 0 3 324.222 2.149 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001024671518 625959028 /nfs/dbraw/zinc/95/90/28/625959028.db2.gz GNGZUOCMOGCMFU-CQSZACIVSA-N 0 3 302.422 2.141 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(CC)c(CC)o3)[C@@H]2C1 ZINC000978987655 634471149 /nfs/dbraw/zinc/47/11/49/634471149.db2.gz REVOWNCAFDQTFK-PHZGNYQRSA-N 0 3 314.429 2.335 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(OCC)no2)C1 ZINC000999124724 634490729 /nfs/dbraw/zinc/49/07/29/634490729.db2.gz CKDCSWGAZQFLDL-UHFFFAOYSA-N 0 3 313.785 2.018 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4cc(C)ccc4o3)[C@@H]2C1 ZINC000979077219 634492233 /nfs/dbraw/zinc/49/22/33/634492233.db2.gz KEMISNGLCRENOC-PHZGNYQRSA-N 0 3 308.381 2.282 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cn(C(C)C)cn2)C1 ZINC000999173280 634506878 /nfs/dbraw/zinc/50/68/78/634506878.db2.gz ZRYOXYWLQMSYMJ-UHFFFAOYSA-N 0 3 310.829 2.409 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cncnc3)C[C@H]2C1 ZINC000979693579 634737555 /nfs/dbraw/zinc/73/75/55/634737555.db2.gz WVDRINYDNWNYLM-YDHLFZDLSA-N 0 3 320.824 2.059 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)CC1 ZINC001000142565 634765198 /nfs/dbraw/zinc/76/51/98/634765198.db2.gz IIQSIWMAFNSMLJ-KBPBESRZSA-N 0 3 310.388 2.272 20 30 DEEDHN Cc1ccc(N2CCC[C@H](NCc3csc(C#N)c3)C2)nn1 ZINC000921701921 634784790 /nfs/dbraw/zinc/78/47/90/634784790.db2.gz VFXUPVGYEFYSAH-AWEZNQCLSA-N 0 3 313.430 2.477 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000836315778 650078962 /nfs/dbraw/zinc/07/89/62/650078962.db2.gz HPWZKTYAEWWGKT-SFHVURJKSA-N 0 3 313.445 2.262 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC=C)CCc1ccccc1 ZINC000836489378 650097750 /nfs/dbraw/zinc/09/77/50/650097750.db2.gz ZGHCNSLMSQJAHR-UHFFFAOYSA-N 0 3 313.445 2.382 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000836488685 650097823 /nfs/dbraw/zinc/09/78/23/650097823.db2.gz LPPWAXBROOKSIJ-UHFFFAOYSA-N 0 3 321.371 2.259 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(CC(C)C)n2)C(C)(C)C1 ZINC000974623441 633188676 /nfs/dbraw/zinc/18/86/76/633188676.db2.gz JEFGKBLFNWSSIP-INIZCTEOSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3ccccc3n2)C(C)(C)C1 ZINC000974679362 633231283 /nfs/dbraw/zinc/23/12/83/633231283.db2.gz HGJKKDGABHWUBW-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cccc(OCCC)c2)C1 ZINC001015962190 633278924 /nfs/dbraw/zinc/27/89/24/633278924.db2.gz FMBGPXSQZUEOMN-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(Cl)cn2C)C(C)(C)C1 ZINC000974788054 633305156 /nfs/dbraw/zinc/30/51/56/633305156.db2.gz CNHZARHEBKQXRB-CQSZACIVSA-N 0 3 307.825 2.142 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000974815846 633314057 /nfs/dbraw/zinc/31/40/57/633314057.db2.gz GSPAUYCWRHDYHN-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001026995474 633341929 /nfs/dbraw/zinc/34/19/29/633341929.db2.gz MKWDYWXMGSHZHH-MLGOLLRUSA-N 0 3 321.371 2.384 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001027000831 633347301 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C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027336133 633664042 /nfs/dbraw/zinc/66/40/42/633664042.db2.gz NTMIAZIOSFLTAA-WMLDXEAASA-N 0 3 310.401 2.141 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cncc(CC)c2)CC1 ZINC000997228403 633680866 /nfs/dbraw/zinc/68/08/66/633680866.db2.gz ILIPGZJZDOGLFN-OAHLLOKOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001027436343 633782590 /nfs/dbraw/zinc/78/25/90/633782590.db2.gz WDKCMJGRSYRFJS-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN CC#CC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC000997490190 633809547 /nfs/dbraw/zinc/80/95/47/633809547.db2.gz CXONLOXXFLSZBZ-AWEZNQCLSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000948598573 633813261 /nfs/dbraw/zinc/81/32/61/633813261.db2.gz JDODSSSWYZSCCM-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN CC[C@H](F)CN1CCC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000997534026 633831105 /nfs/dbraw/zinc/83/11/05/633831105.db2.gz 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C#CCCN1C[C@H](NC(=O)c2ccc(Cl)cn2)C(C)(C)C1 ZINC000977492744 634009225 /nfs/dbraw/zinc/00/92/25/634009225.db2.gz ISOMIAZURYNCSV-AWEZNQCLSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)noc2CC)CC1 ZINC000997859084 634012721 /nfs/dbraw/zinc/01/27/21/634012721.db2.gz QZYYTEUMHTVLNQ-LBPRGKRZSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2snnc2C)CC1 ZINC000997920833 634058727 /nfs/dbraw/zinc/05/87/27/634058727.db2.gz LIEZLLSYKRDAGO-ZDUSSCGKSA-N 0 3 308.451 2.349 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)nc2)C(C)(C)C1 ZINC000977620607 634073258 /nfs/dbraw/zinc/07/32/58/634073258.db2.gz KPNQLMGERPNVQC-INIZCTEOSA-N 0 3 301.434 2.335 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2coc(C)n2)CC1 ZINC000997990042 634098744 /nfs/dbraw/zinc/09/87/44/634098744.db2.gz HPSNQQYLZVVMEA-OAHLLOKOSA-N 0 3 303.406 2.323 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)C2CC(OCC)C2)CC1 ZINC000997996532 634102692 /nfs/dbraw/zinc/10/26/92/634102692.db2.gz ZCQPNPHKQIYQMM-AQFXKWCLSA-N 0 3 306.450 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C#CCCN1CCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001027921525 634968715 /nfs/dbraw/zinc/96/87/15/634968715.db2.gz RCJACTHFHCXOPT-HNNXBMFYSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001027948021 635039558 /nfs/dbraw/zinc/03/95/58/635039558.db2.gz XHPXFXGUFHMEBB-CYBMUJFWSA-N 0 3 305.809 2.261 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001027974283 635134457 /nfs/dbraw/zinc/13/44/57/635134457.db2.gz FTTSQHVXSCMZBT-QGZVFWFLSA-N 0 3 312.413 2.469 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001027974282 635134808 /nfs/dbraw/zinc/13/48/08/635134808.db2.gz FTTSQHVXSCMZBT-KRWDZBQOSA-N 0 3 312.413 2.469 20 30 DEEDHN C#CCSCCNCc1ccccc1O[C@@H](C)C(=O)OC ZINC000921767996 635160618 /nfs/dbraw/zinc/16/06/18/635160618.db2.gz BORNDTMMIPTSOX-ZDUSSCGKSA-N 0 3 307.415 2.083 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccccc1COC ZINC001027994326 635184369 /nfs/dbraw/zinc/18/43/69/635184369.db2.gz MXYFLSIUFSRRHR-INIZCTEOSA-N 0 3 300.402 2.051 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000980935377 635243917 /nfs/dbraw/zinc/24/39/17/635243917.db2.gz MDCVSECMOBLBNB-HOTGVXAUSA-N 0 3 323.400 2.112 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001028018975 635260950 /nfs/dbraw/zinc/26/09/50/635260950.db2.gz JVFSDDXLWQEEQM-OAHLLOKOSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc3c2COCC3)CC1 ZINC001000768402 635290444 /nfs/dbraw/zinc/29/04/44/635290444.db2.gz XUHDNOYQOOCOIA-UHFFFAOYSA-N 0 3 312.413 2.307 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nccc3cccnc32)CC1 ZINC001000788563 635302941 /nfs/dbraw/zinc/30/29/41/635302941.db2.gz TYRPEUMCJVMFIR-UHFFFAOYSA-N 0 3 308.385 2.178 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC001000870162 635322510 /nfs/dbraw/zinc/32/25/10/635322510.db2.gz HXSKXCYAHHGWMB-UHFFFAOYSA-N 0 3 310.401 2.419 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(Br)c[nH]2)CC1 ZINC001000913892 635341589 /nfs/dbraw/zinc/34/15/89/635341589.db2.gz IZDPCTJOIVAARI-UHFFFAOYSA-N 0 3 324.222 2.325 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc3ccc(C)cn32)CC1 ZINC001000946354 635346280 /nfs/dbraw/zinc/34/62/80/635346280.db2.gz IATJLOBGGWRQFK-UHFFFAOYSA-N 0 3 310.401 2.191 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2c(C3CCC3)cnn2C)CC1 ZINC000981203745 635367651 /nfs/dbraw/zinc/36/76/51/635367651.db2.gz XYWOXPUWAVJTLN-UHFFFAOYSA-N 0 3 316.449 2.412 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C#CC(C)(C)C ZINC000837372478 650191548 /nfs/dbraw/zinc/19/15/48/650191548.db2.gz MPUDZLMRRKFIAJ-UHFFFAOYSA-N 0 3 311.429 2.498 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000981260277 635411589 /nfs/dbraw/zinc/41/15/89/635411589.db2.gz OEBXMGTVOYAEKU-UHFFFAOYSA-N 0 3 304.438 2.263 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H](NCc3ccn(C)n3)C2)C1 ZINC000981318638 635436239 /nfs/dbraw/zinc/43/62/39/635436239.db2.gz HOJFDYVLTXKATO-LSDHHAIUSA-N 0 3 316.449 2.293 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(-c3ccccn3)no2)CC1 ZINC001001315199 635460346 /nfs/dbraw/zinc/46/03/46/635460346.db2.gz PRVMVRLNQTUNFJ-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC001001442077 635505347 /nfs/dbraw/zinc/50/53/47/635505347.db2.gz GEAUYAOJUZCQKM-UHFFFAOYSA-N 0 3 314.433 2.227 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccoc2C(F)(F)F)CC1 ZINC001001445934 635506636 /nfs/dbraw/zinc/50/66/36/635506636.db2.gz GKPQYLDDOZZGFN-UHFFFAOYSA-N 0 3 314.307 2.373 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccnc2OC(C)C)CC1 ZINC001001505054 635514507 /nfs/dbraw/zinc/51/45/07/635514507.db2.gz SSYIXSMIJCRQRM-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2nc(C)sc2C)CC1 ZINC001001520391 635521011 /nfs/dbraw/zinc/52/10/11/635521011.db2.gz BSJLTTHHHOVXMD-UHFFFAOYSA-N 0 3 305.447 2.225 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2CCN(C[C@H](F)CC)CC2)c1 ZINC001001813148 635558103 /nfs/dbraw/zinc/55/81/03/635558103.db2.gz UULZAVPEEWFKFS-QGZVFWFLSA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2Cc3ccccc3C2)CC1 ZINC001001873480 635566242 /nfs/dbraw/zinc/56/62/42/635566242.db2.gz COZQLEZQWXZILK-UHFFFAOYSA-N 0 3 310.441 2.253 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC001001975203 635589930 /nfs/dbraw/zinc/58/99/30/635589930.db2.gz UVKYLQYTRJHKKA-ROUUACIJSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2CC3(C2)CCOCC3)CC1 ZINC001002044873 635605191 /nfs/dbraw/zinc/60/51/91/635605191.db2.gz HVPJRDJNLAYVNB-UHFFFAOYSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 ZINC000981869198 635701748 /nfs/dbraw/zinc/70/17/48/635701748.db2.gz QRDDTXDYLPMWDH-UHFFFAOYSA-N 0 3 314.433 2.013 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001028154163 635734015 /nfs/dbraw/zinc/73/40/15/635734015.db2.gz GBDXHJYLNIXJDB-CQSZACIVSA-N 0 3 304.365 2.052 20 30 DEEDHN C#CCN(C(=O)NCCC[C@@H]1CCCCO1)C1CCN(C)CC1 ZINC000921976210 635777125 /nfs/dbraw/zinc/77/71/25/635777125.db2.gz XPSJKLXJBGMATK-KRWDZBQOSA-N 0 3 321.465 2.075 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001028205129 635823693 /nfs/dbraw/zinc/82/36/93/635823693.db2.gz HQZJKMMXUBAENG-CJNGLKHVSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)n3nc(C)cc3C)C2)C1 ZINC000982169661 635894747 /nfs/dbraw/zinc/89/47/47/635894747.db2.gz NCNKYLJLUHOACS-INIZCTEOSA-N 0 3 316.449 2.171 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000982174356 635899736 /nfs/dbraw/zinc/89/97/36/635899736.db2.gz NSNCFSIALDHEOK-UHFFFAOYSA-N 0 3 316.449 2.097 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ccc(C)o3)C[C@]2(C)C1 ZINC000982200873 635904629 /nfs/dbraw/zinc/90/46/29/635904629.db2.gz XCGZEDMMCFKPKU-HDICACEKSA-N 0 3 300.402 2.395 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cc(Cl)c[nH]3)C[C@]2(C)C1 ZINC000982208293 635906979 /nfs/dbraw/zinc/90/69/79/635906979.db2.gz URHABEPRVQVZHZ-IYBDPMFKSA-N 0 3 305.809 2.085 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ccnc(F)c3)C[C@]2(C)C1 ZINC000982233565 635915532 /nfs/dbraw/zinc/91/55/32/635915532.db2.gz VEPKHBADMFNYPT-HDICACEKSA-N 0 3 315.392 2.028 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cn2)C[C@H]1C ZINC000947953441 635935159 /nfs/dbraw/zinc/93/51/59/635935159.db2.gz OCWHJRKTQUXQJK-TZMCWYRMSA-N 0 3 305.809 2.341 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nc2ccccn2c1F ZINC001028238777 635942912 /nfs/dbraw/zinc/94/29/12/635942912.db2.gz WBDCXTMBEDSMPP-CYBMUJFWSA-N 0 3 316.380 2.244 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001028278653 636014088 /nfs/dbraw/zinc/01/40/88/636014088.db2.gz COPRCFQLHHHQPY-KRWDZBQOSA-N 0 3 315.417 2.415 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CCN1C ZINC000922372943 636134942 /nfs/dbraw/zinc/13/49/42/636134942.db2.gz BDTXVHYCYXHEIC-YGRLFVJLSA-N 0 3 306.797 2.103 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028472158 636232755 /nfs/dbraw/zinc/23/27/55/636232755.db2.gz OGNWRORRYDYCKM-KRWDZBQOSA-N 0 3 322.412 2.447 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@]2(C)C1 ZINC000982579493 636278556 /nfs/dbraw/zinc/27/85/56/636278556.db2.gz DMWNLEUPYVWAQP-RWQQGDIJSA-N 0 3 302.462 2.472 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001028572761 636348689 /nfs/dbraw/zinc/34/86/89/636348689.db2.gz ZPGHYJKOEYDENH-OAHLLOKOSA-N 0 3 314.433 2.073 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H](C)n3cccc3)C[C@]2(C)C1 ZINC000982744239 636384890 /nfs/dbraw/zinc/38/48/90/636384890.db2.gz GYUFZNQUSOQUNZ-YTQUADARSA-N 0 3 313.445 2.243 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2conc2C2CCCC2)C1 ZINC001028588854 636405676 /nfs/dbraw/zinc/40/56/76/636405676.db2.gz IJDCYMFGCHKDDU-AWEZNQCLSA-N 0 3 315.417 2.407 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001028659188 636570154 /nfs/dbraw/zinc/57/01/54/636570154.db2.gz AEYIXCSUHQTTAR-INIZCTEOSA-N 0 3 314.429 2.387 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001028667373 636587534 /nfs/dbraw/zinc/58/75/34/636587534.db2.gz NFYPLKUZMWYJOM-MRXNPFEDSA-N 0 3 307.397 2.162 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001028676485 636613509 /nfs/dbraw/zinc/61/35/09/636613509.db2.gz FONDEOZHSCNXMR-GFCCVEGCSA-N 0 3 307.344 2.094 20 30 DEEDHN C=C(C)CCN1CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000948702596 636645529 /nfs/dbraw/zinc/64/55/29/636645529.db2.gz ABRWYLOHBZLGDB-UHFFFAOYSA-N 0 3 316.327 2.153 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccn3)C2)cc1 ZINC001028730403 636676825 /nfs/dbraw/zinc/67/68/25/636676825.db2.gz IKLZCJYFAQEIRP-QGZVFWFLSA-N 0 3 319.408 2.315 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC001005367018 636725138 /nfs/dbraw/zinc/72/51/38/636725138.db2.gz ADRLLGUWBMQSLD-UHFFFAOYSA-N 0 3 304.438 2.266 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2[nH]cnc2C(F)(F)F)CC1 ZINC001005503851 636753086 /nfs/dbraw/zinc/75/30/86/636753086.db2.gz KENJMRWZJWCTRV-UHFFFAOYSA-N 0 3 316.327 2.151 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2nc[nH]c2C(F)(F)F)CC1 ZINC001005503851 636753091 /nfs/dbraw/zinc/75/30/91/636753091.db2.gz KENJMRWZJWCTRV-UHFFFAOYSA-N 0 3 316.327 2.151 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC34CC4)C2)c1 ZINC001028827876 636763916 /nfs/dbraw/zinc/76/39/16/636763916.db2.gz FKWJDUFSMGAPNF-IRXDYDNUSA-N 0 3 309.413 2.296 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC34CC4)C2)cc1 ZINC001028827510 636765275 /nfs/dbraw/zinc/76/52/75/636765275.db2.gz CCQASJDBSDKLTL-SJORKVTESA-N 0 3 309.413 2.296 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001028844346 636783085 /nfs/dbraw/zinc/78/30/85/636783085.db2.gz NFGBITMORRLVBE-LBPRGKRZSA-N 0 3 306.793 2.034 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001028869159 636801305 /nfs/dbraw/zinc/80/13/05/636801305.db2.gz PAOJLGIPALQXEV-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2c[nH]nc2CCC)CC1 ZINC001005638785 636803697 /nfs/dbraw/zinc/80/36/97/636803697.db2.gz DCLFHTPHXRHEBX-UHFFFAOYSA-N 0 3 304.438 2.475 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cn(CCCC)nc2C)C1 ZINC001028919674 636853743 /nfs/dbraw/zinc/85/37/43/636853743.db2.gz DXJBMFULECLIEB-MRXNPFEDSA-N 0 3 316.449 2.067 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001028970203 636909859 /nfs/dbraw/zinc/90/98/59/636909859.db2.gz VRRKSRLDVVMLNW-JTQLQIEISA-N 0 3 312.747 2.303 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CCCC[C@H]1SC)C1CCN(C)CC1 ZINC000923060969 636943132 /nfs/dbraw/zinc/94/31/32/636943132.db2.gz TTWLTNDKCNJUKY-HZPDHXFCSA-N 0 3 323.506 2.400 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 ZINC000983466505 636960945 /nfs/dbraw/zinc/96/09/45/636960945.db2.gz KIIQTTRDEJNYSZ-AWEZNQCLSA-N 0 3 316.449 2.259 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC001005964719 637010412 /nfs/dbraw/zinc/01/04/12/637010412.db2.gz NWOCWBGOSAHAJV-UHFFFAOYSA-N 0 3 316.449 2.162 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005994664 637052459 /nfs/dbraw/zinc/05/24/59/637052459.db2.gz GXROLPNUEXPBII-CQSZACIVSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(OC)n2)CC1 ZINC001006231924 637289483 /nfs/dbraw/zinc/28/94/83/637289483.db2.gz FQLDDZGUKABIEF-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(Cl)c1N(C)C ZINC000838622812 637613650 /nfs/dbraw/zinc/61/36/50/637613650.db2.gz OPINRMUSTFWFGY-UHFFFAOYSA-N 0 3 322.840 2.483 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(Cc2ccccc2C)C1 ZINC000838623449 637614434 /nfs/dbraw/zinc/61/44/34/637614434.db2.gz CBAYJHRXJBMPOT-UHFFFAOYSA-N 0 3 313.445 2.134 20 30 DEEDHN C=CCONC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000838704152 637634096 /nfs/dbraw/zinc/63/40/96/637634096.db2.gz RIVVOUAVVYNTSH-UHFFFAOYSA-N 0 3 317.433 2.454 20 30 DEEDHN C=CCONC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000838707320 637634704 /nfs/dbraw/zinc/63/47/04/637634704.db2.gz ZRWUFXNVHLAFQN-HNNXBMFYSA-N 0 3 303.406 2.410 20 30 DEEDHN C=CCONC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000838706257 637635009 /nfs/dbraw/zinc/63/50/09/637635009.db2.gz NAEIMVUGCZCGJG-MRXNPFEDSA-N 0 3 303.406 2.410 20 30 DEEDHN C=CCONC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000838711079 637636749 /nfs/dbraw/zinc/63/67/49/637636749.db2.gz GLVLBAHPPZIRRE-UHFFFAOYSA-N 0 3 303.406 2.410 20 30 DEEDHN C=CCONC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000838713026 637637879 /nfs/dbraw/zinc/63/78/79/637637879.db2.gz HHTKHKWDTMYIHU-MRXNPFEDSA-N 0 3 321.421 2.493 20 30 DEEDHN C#CCSCCNCc1cc2c(C)nn(C)c2nc1Cl ZINC000740018361 637773449 /nfs/dbraw/zinc/77/34/49/637773449.db2.gz MKYUUZFOESQNMZ-UHFFFAOYSA-N 0 3 308.838 2.386 20 30 DEEDHN COc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1 ZINC000103330190 637818906 /nfs/dbraw/zinc/81/89/06/637818906.db2.gz XBYVIYKRTSETQN-BXUZGUMPSA-N 0 3 300.358 2.176 20 30 DEEDHN CC[NH+](CC)Cc1cc(C(C)=NN2CCN(C)CC2)ccc1[O-] ZINC000839383261 637860105 /nfs/dbraw/zinc/86/01/05/637860105.db2.gz HIRARUGJWDAVOQ-UHFFFAOYSA-N 0 3 318.465 2.205 20 30 DEEDHN Cn1ccnc1[C@]([O-])(C[NH2+]CC(C)(C)CCC#N)C(F)(F)F ZINC000742370779 638064546 /nfs/dbraw/zinc/06/45/46/638064546.db2.gz MNHFMXBANUUJKS-CYBMUJFWSA-N 0 3 318.343 2.090 20 30 DEEDHN Cc1ccc(OC[C@H](C)NCc2cnc3c(C#N)cnn3c2)cc1 ZINC000742734102 638090806 /nfs/dbraw/zinc/09/08/06/638090806.db2.gz LFFWAWFXQFLCKK-AWEZNQCLSA-N 0 3 321.384 2.467 20 30 DEEDHN N#Cc1ccc(N[C@H]2CCCN3CCSC[C@H]23)c(CO)c1 ZINC000895565452 638092069 /nfs/dbraw/zinc/09/20/69/638092069.db2.gz UAUWMYPYJISCKO-JKSUJKDBSA-N 0 3 303.431 2.042 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1ccc(C)c(C)c1 ZINC000747108681 638408867 /nfs/dbraw/zinc/40/88/67/638408867.db2.gz JNVPFKVFMWKTMZ-INIZCTEOSA-N 0 3 314.385 2.474 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](CN[C@@H](C)c3cnccn3)C2)C1 ZINC000984776876 638671123 /nfs/dbraw/zinc/67/11/23/638671123.db2.gz ZGEMKDAAZUVCEK-KKUMJFAQSA-N 0 3 314.433 2.378 20 30 DEEDHN CO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000752323833 639172833 /nfs/dbraw/zinc/17/28/33/639172833.db2.gz ZYYRGKVSVTYILL-VXGBXAGGSA-N 0 3 315.398 2.193 20 30 DEEDHN CC(=O)CCCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000755851152 639595989 /nfs/dbraw/zinc/59/59/89/639595989.db2.gz HSWHFKHIDGBFRI-CYBMUJFWSA-N 0 3 322.311 2.049 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)c1ccon1 ZINC000986003097 639722604 /nfs/dbraw/zinc/72/26/04/639722604.db2.gz HCACLAIBRXMRPV-GWCFXTLKSA-N 0 3 316.386 2.001 20 30 DEEDHN C=C(C)[C@@H](CO)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000839639977 639788821 /nfs/dbraw/zinc/78/88/21/639788821.db2.gz KOZNXKDYFHAIEJ-KGLIPLIRSA-N 0 3 314.223 2.351 20 30 DEEDHN C[C@H]1[C@@H](NCc2ccc(F)c(F)c2)CCN1C(=O)C#CC1CC1 ZINC000986281866 639867966 /nfs/dbraw/zinc/86/79/66/639867966.db2.gz STNHUFMWBNZSKT-SJCJKPOMSA-N 0 3 318.367 2.457 20 30 DEEDHN C[C@H]1[C@H](NCc2ccccc2F)CCN1C(=O)C#CC1CC1 ZINC000986279451 639868188 /nfs/dbraw/zinc/86/81/88/639868188.db2.gz NCTHWDHSMXFROY-SUMWQHHRSA-N 0 3 300.377 2.318 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3ccnn3C)[C@@H]2C)CC1 ZINC000986853524 640000300 /nfs/dbraw/zinc/00/03/00/640000300.db2.gz LEJDMDNXYNDJEA-WMLDXEAASA-N 0 3 316.449 2.246 20 30 DEEDHN COc1cccc(CNCCNc2ccc(C#N)cn2)c1OC ZINC000897399081 640020193 /nfs/dbraw/zinc/02/01/93/640020193.db2.gz BPFALQOWHBYGMM-UHFFFAOYSA-N 0 3 312.373 2.172 20 30 DEEDHN CCO[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)C ZINC000761063817 640260703 /nfs/dbraw/zinc/26/07/03/640260703.db2.gz BQALMXJPZJCIFJ-OCCSQVGLSA-N 0 3 303.362 2.180 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)C(C)(F)F ZINC000987747712 640274230 /nfs/dbraw/zinc/27/42/30/640274230.db2.gz YICVIGLJXNTIGO-ZJUUUORDSA-N 0 3 313.373 2.354 20 30 DEEDHN COc1ccc(OC)c(CNC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000763232333 640520682 /nfs/dbraw/zinc/52/06/82/640520682.db2.gz UJDKDKADFGFKTA-QGZVFWFLSA-N 0 3 312.369 2.399 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc3cc(OC)ccc3[nH]2)CC1 ZINC000763476774 640545306 /nfs/dbraw/zinc/54/53/06/640545306.db2.gz PUCSUAKIXSESAF-UHFFFAOYSA-N 0 3 311.385 2.460 20 30 DEEDHN Cc1ccc(CN[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)c(C)n1 ZINC000988824868 640669453 /nfs/dbraw/zinc/66/94/53/640669453.db2.gz JDQMXKVUULDLKY-KDOFPFPSSA-N 0 3 311.429 2.191 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccnc(Cl)c2)CN1C(=O)C#CC1CC1 ZINC000988827635 640674700 /nfs/dbraw/zinc/67/47/00/640674700.db2.gz UGUIDKUJEFQWBY-DOMZBBRYSA-N 0 3 317.820 2.227 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(-c3ccco3)c2)C1 ZINC000989014637 640704840 /nfs/dbraw/zinc/70/48/40/640704840.db2.gz ZTVOGCTWSYLOSV-UKRRQHHQSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(C)cc2Cl)C1 ZINC000989053510 640712086 /nfs/dbraw/zinc/71/20/86/640712086.db2.gz BUTKJLDSQDGTIC-UKRRQHHQSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(-c3ccccc3)on2)C1 ZINC000989146799 640734821 /nfs/dbraw/zinc/73/48/21/640734821.db2.gz UKPDYIQXHXRMKG-ZFWWWQNUSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC000989170540 640742477 /nfs/dbraw/zinc/74/24/77/640742477.db2.gz PPBZMWQIUCTNHN-UKRRQHHQSA-N 0 3 312.413 2.182 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c3cccnc23)C1 ZINC000989220926 640756963 /nfs/dbraw/zinc/75/69/63/640756963.db2.gz UMKMMUKRLNKETM-CABCVRRESA-N 0 3 307.397 2.369 20 30 DEEDHN CCn1c(=O)c2ccccc2nc1N=NC1CCN2CCC[C@@H]12 ZINC000765569632 640794694 /nfs/dbraw/zinc/79/46/94/640794694.db2.gz LUOWGNAYTCJDEP-HNNXBMFYSA-N 0 3 311.389 2.052 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cncc2ccccc21 ZINC000765590740 640797794 /nfs/dbraw/zinc/79/77/94/640797794.db2.gz OFVBPGQRMMVZQI-MRXNPFEDSA-N 0 3 309.369 2.401 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765890910 640826089 /nfs/dbraw/zinc/82/60/89/640826089.db2.gz HRSNSUJQPLFJSK-PKOBYXMFSA-N 0 3 323.440 2.175 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000989405622 640854961 /nfs/dbraw/zinc/85/49/61/640854961.db2.gz JMOJLWHMJWXBAC-FZMZJTMJSA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(N3CCCC3)c2)C1 ZINC000989605099 641166185 /nfs/dbraw/zinc/16/61/85/641166185.db2.gz IHBXSWZZDBQISG-NVXWUHKLSA-N 0 3 311.429 2.113 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2sc(CCC)nc2C)C1 ZINC000989793693 641233657 /nfs/dbraw/zinc/23/36/57/641233657.db2.gz MDBLBSNDPLHGRX-YPMHNXCESA-N 0 3 305.447 2.230 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2cccc(F)c2F)C1 ZINC000989857602 641258850 /nfs/dbraw/zinc/25/88/50/641258850.db2.gz OXNZETDTBZWRHO-GXTWGEPZSA-N 0 3 306.356 2.110 20 30 DEEDHN CCCN1CCN(c2ccccc2C=NN2CCCC2=O)CC1 ZINC000769592207 641263408 /nfs/dbraw/zinc/26/34/08/641263408.db2.gz ASWYVEZCZIMPJS-UHFFFAOYSA-N 0 3 314.433 2.175 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3ccsc3)CCC[C@@H]12 ZINC000989928565 641297531 /nfs/dbraw/zinc/29/75/31/641297531.db2.gz IUEJONMTSSWGKI-WBVHZDCISA-N 0 3 302.443 2.427 20 30 DEEDHN C[C@@H]1COCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000769913607 641307994 /nfs/dbraw/zinc/30/79/94/641307994.db2.gz OJMPOCHAXPDCNL-NEPJUHHUSA-N 0 3 315.398 2.193 20 30 DEEDHN CCN1CCN(c2ccc(Nc3cnc(C#N)cn3)cc2)CC1 ZINC000771941333 641575206 /nfs/dbraw/zinc/57/52/06/641575206.db2.gz TXZQUWGFZYCCLL-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN CC1(C)C[C@H](C(=O)C(C#N)C(=O)NC2CC2)c2ccccc2O1 ZINC000842288446 650694754 /nfs/dbraw/zinc/69/47/54/650694754.db2.gz FTACGDWCZIRTLJ-KBPBESRZSA-N 0 3 312.369 2.319 20 30 DEEDHN CCOc1ccc(C[C@H](C)C(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000842289331 650695825 /nfs/dbraw/zinc/69/58/25/650695825.db2.gz PBJWLRDZLPUAIN-BLLLJJGKSA-N 0 3 314.385 2.251 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCc2ccccc2O1 ZINC000842292662 650696942 /nfs/dbraw/zinc/69/69/42/650696942.db2.gz VQRUUJKZDXYTNJ-GOEBONIOSA-N 0 3 312.369 2.148 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105010 641936499 /nfs/dbraw/zinc/93/64/99/641936499.db2.gz UWNKOAFVGVTHDA-WMLDXEAASA-N 0 3 316.449 2.018 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2C[C@@H]3COC[C@@H]3O2)c([O-])c1 ZINC000899226335 641995681 /nfs/dbraw/zinc/99/56/81/641995681.db2.gz QAVOSAHCVABSAR-LQJIZPHLSA-N 0 3 318.417 2.461 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2C[C@@H]3COC[C@@H]3O2)c([O-])c1 ZINC000899226333 641995896 /nfs/dbraw/zinc/99/58/96/641995896.db2.gz QAVOSAHCVABSAR-ISFCIQHWSA-N 0 3 318.417 2.461 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775833326 642103139 /nfs/dbraw/zinc/10/31/39/642103139.db2.gz BMLOGISGBBFKNE-KDOFPFPSSA-N 0 3 316.449 2.458 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833325 642103244 /nfs/dbraw/zinc/10/32/44/642103244.db2.gz BMLOGISGBBFKNE-KBXCAEBGSA-N 0 3 316.449 2.458 20 30 DEEDHN Cc1cc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)nc(N)n1 ZINC000776817799 642210368 /nfs/dbraw/zinc/21/03/68/642210368.db2.gz REXXWZQMZVXOTH-UHFFFAOYSA-N 0 3 305.345 2.241 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(NC3CC3)s2)CC1 ZINC000900598525 642417949 /nfs/dbraw/zinc/41/79/49/642417949.db2.gz HSPBUYFPUSEIIK-UHFFFAOYSA-N 0 3 306.435 2.098 20 30 DEEDHN Nc1ncc(C=NNc2ccc(F)cc2Br)cn1 ZINC000781587390 642767594 /nfs/dbraw/zinc/76/75/94/642767594.db2.gz YMJDWWUGXPHQSH-UHFFFAOYSA-N 0 3 310.130 2.406 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cn4c(n3)CCCC4)CCC[C@H]12 ZINC000990903050 642792196 /nfs/dbraw/zinc/79/21/96/642792196.db2.gz ARGRKRITUUVJLV-YJBOKZPZSA-N 0 3 314.433 2.132 20 30 DEEDHN CC(C)(C#N)CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000782700727 642917716 /nfs/dbraw/zinc/91/77/16/642917716.db2.gz MMGLZCGJELULDN-NXEZZACHSA-N 0 3 320.311 2.317 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000783347951 642996367 /nfs/dbraw/zinc/99/63/67/642996367.db2.gz UMTUWVWPXYVNGO-MGPQQGTHSA-N 0 3 306.406 2.397 20 30 DEEDHN C#CCCOc1ccc(CN2CCC3(CNC(=O)O3)CC2)cc1 ZINC000783721730 643042882 /nfs/dbraw/zinc/04/28/82/643042882.db2.gz LOHXTXDNNDZGIS-UHFFFAOYSA-N 0 3 314.385 2.163 20 30 DEEDHN C[C@H](NCCCN(C)CC(F)(F)F)c1cc(C#N)ccn1 ZINC000902746841 643131108 /nfs/dbraw/zinc/13/11/08/643131108.db2.gz PGPVNJWDAPIYFB-NSHDSACASA-N 0 3 300.328 2.488 20 30 DEEDHN CN1C(=O)CC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000784866804 643178790 /nfs/dbraw/zinc/17/87/90/643178790.db2.gz KOGWQCDFQSFRQL-KOLCDFICSA-N 0 3 317.345 2.232 20 30 DEEDHN C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cn(C)nn1 ZINC000903043383 643227768 /nfs/dbraw/zinc/22/77/68/643227768.db2.gz XQXSJFHSGYKWEY-CQSZACIVSA-N 0 3 324.432 2.002 20 30 DEEDHN C=CCC[C@@H]([NH2+]Cc1nnc(COC)[n-]1)[C@]1(C)CCCCO1 ZINC000903048279 643238622 /nfs/dbraw/zinc/23/86/22/643238622.db2.gz LMXATWNVWLWXDI-CJNGLKHVSA-N 0 3 308.426 2.335 20 30 DEEDHN C=CCCCCC[C@@H](C)NCCS(=O)(=O)N=S(C)(C)=O ZINC000903226458 643288231 /nfs/dbraw/zinc/28/82/31/643288231.db2.gz MUNHBMXLIXJDOZ-CYBMUJFWSA-N 0 3 324.512 2.158 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CCOC1)C(=O)NCc1cccc(Cl)c1 ZINC000786540028 643382039 /nfs/dbraw/zinc/38/20/39/643382039.db2.gz YEGHNBYJPGSULY-GXTWGEPZSA-N 0 3 320.776 2.092 20 30 DEEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)O1 ZINC000786550908 643383508 /nfs/dbraw/zinc/38/35/08/643383508.db2.gz RRBQWKOKLJHFPU-PMPSAXMXSA-N 0 3 314.385 2.278 20 30 DEEDHN N#CC(C(=O)Cc1ccoc1)C(=O)NCc1ccc(F)cc1F ZINC000786560827 643385206 /nfs/dbraw/zinc/38/52/06/643385206.db2.gz DDQRKYHXPXWGPM-ZDUSSCGKSA-N 0 3 318.279 2.126 20 30 DEEDHN N#CC(C(=O)Cc1ccco1)C(=O)NCc1ccc(F)cc1F ZINC000786560894 643385216 /nfs/dbraw/zinc/38/52/16/643385216.db2.gz SHBORHKYZICULL-CYBMUJFWSA-N 0 3 318.279 2.126 20 30 DEEDHN C#CCCCS(=O)(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000903665588 643419510 /nfs/dbraw/zinc/41/95/10/643419510.db2.gz ADLBJIJBDOHEBN-UHFFFAOYSA-N 0 3 307.419 2.227 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786925665 643428999 /nfs/dbraw/zinc/42/89/99/643428999.db2.gz JYOLZIUEIQQCAQ-JHJVBQTASA-N 0 3 324.384 2.041 20 30 DEEDHN COc1cc(OC)c(OC)cc1/C=C1/C(=O)c2ncnn2C1C ZINC000905081239 643778262 /nfs/dbraw/zinc/77/82/62/643778262.db2.gz QAMXXFMHRGNGBE-WUFUFFIZSA-N 0 3 315.329 2.145 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC[C@@H](O)C2(O)CCCC2)c1 ZINC000905117063 643795166 /nfs/dbraw/zinc/79/51/66/643795166.db2.gz MHPJBMNJKZAZCM-DOTOQJQBSA-N 0 3 318.417 2.123 20 30 DEEDHN Cc1nc(CNC[C@H](O)c2ccc(C#N)cc2)ccc1[C@@H](C)O ZINC000843106456 650895507 /nfs/dbraw/zinc/89/55/07/650895507.db2.gz LJGLJRREKDCZDH-ACJLOTCBSA-N 0 3 311.385 2.138 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cn1 ZINC000793519594 644265524 /nfs/dbraw/zinc/26/55/24/644265524.db2.gz RKXZGZVIZXDBCQ-SFHVURJKSA-N 0 3 323.396 2.104 20 30 DEEDHN C[C@@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)C1=CCN(C)CC1 ZINC000907283271 644497826 /nfs/dbraw/zinc/49/78/26/644497826.db2.gz RNXMALMELOGHNB-YMEAELAKSA-N 0 3 301.434 2.473 20 30 DEEDHN C#C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@H]1CCCO1 ZINC000907488580 644563253 /nfs/dbraw/zinc/56/32/53/644563253.db2.gz QVYJJFOURGWSQF-HZPDHXFCSA-N 0 3 311.385 2.201 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000908436875 644859313 /nfs/dbraw/zinc/85/93/13/644859313.db2.gz YSPZXBDOAVDLOR-GOSISDBHSA-N 0 3 313.445 2.427 20 30 DEEDHN COC(=O)N(C)CC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797566422 644896010 /nfs/dbraw/zinc/89/60/10/644896010.db2.gz JSRFVTLZCFJGAZ-VIFPVBQESA-N 0 3 309.391 2.315 20 30 DEEDHN CN(CC(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(=O)C1CC1 ZINC000797573224 644896848 /nfs/dbraw/zinc/89/68/48/644896848.db2.gz PEXGWVHVKSFSBR-NSHDSACASA-N 0 3 319.430 2.485 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCN(C)C[C@H]2CC)cc1 ZINC000798141365 644971214 /nfs/dbraw/zinc/97/12/14/644971214.db2.gz IRDBVVPOURBYCA-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C#Cc1ccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000798185947 644981181 /nfs/dbraw/zinc/98/11/81/644981181.db2.gz CIKVVGZAQUOJKO-AWEZNQCLSA-N 0 3 310.319 2.311 20 30 DEEDHN Cc1cc(C(=O)NC2CCN(CCO[C@H](C)C#N)CC2)c(C)o1 ZINC000801917440 645462130 /nfs/dbraw/zinc/46/21/30/645462130.db2.gz CSUVMIRSLZZIRS-CYBMUJFWSA-N 0 3 319.405 2.019 20 30 DEEDHN C[C@H](C#N)OCCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000801920910 645463251 /nfs/dbraw/zinc/46/32/51/645463251.db2.gz WGZFGHYZZIBNBO-CXAGYDPISA-N 0 3 306.381 2.500 20 30 DEEDHN Cc1ccc(C(=O)NC2CCN(CCO[C@H](C)C#N)CC2)s1 ZINC000801931037 645463799 /nfs/dbraw/zinc/46/37/99/645463799.db2.gz NADOTSDPNJCKGT-GFCCVEGCSA-N 0 3 321.446 2.179 20 30 DEEDHN Cc1cccc(CC2(O)CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000801953224 645469338 /nfs/dbraw/zinc/46/93/38/645469338.db2.gz LPGLHAXQCFFTHB-MRXNPFEDSA-N 0 3 302.418 2.293 20 30 DEEDHN C=C(CO)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000804129057 645729364 /nfs/dbraw/zinc/72/93/64/645729364.db2.gz ZRECHZPGDPRVQT-HNNXBMFYSA-N 0 3 310.825 2.388 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C(F)F)ncn3)CCC[C@H]12 ZINC000991358972 645874539 /nfs/dbraw/zinc/87/45/39/645874539.db2.gz KILCSTLQAVRMQF-BBRMVZONSA-N 0 3 322.359 2.327 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000807054820 645906487 /nfs/dbraw/zinc/90/64/87/645906487.db2.gz YRQSZYHGNFFNOJ-HNAYVOBHSA-N 0 3 319.408 2.456 20 30 DEEDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000912078144 645939660 /nfs/dbraw/zinc/93/96/60/645939660.db2.gz QXOOENSOZFPBKT-CJNGLKHVSA-N 0 3 300.406 2.403 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cn1 ZINC000807740989 645981713 /nfs/dbraw/zinc/98/17/13/645981713.db2.gz XRSFZYUNUWCEHR-HNAYVOBHSA-N 0 3 319.408 2.456 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc(F)cc3F)CCC[C@@H]12 ZINC000991417194 646212366 /nfs/dbraw/zinc/21/23/66/646212366.db2.gz PVFCOKDNVUMMNN-CJNGLKHVSA-N 0 3 307.344 2.273 20 30 DEEDHN C#Cc1ccc(CNCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000809605313 646245760 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CC#CCN1CC[C@]2(NC(=O)c3cncc4[nH]ccc43)CCC[C@H]12 ZINC000991597895 646530022 /nfs/dbraw/zinc/53/00/22/646530022.db2.gz RNVIBYMZGLUAIO-PKOBYXMFSA-N 0 3 322.412 2.313 20 30 DEEDHN C[C@@H]1C(N=Nc2ncnc3[nH]cnc32)CCN1Cc1ccccc1 ZINC000811639112 646553703 /nfs/dbraw/zinc/55/37/03/646553703.db2.gz OSSVPPZEJACYNH-GFCCVEGCSA-N 0 3 321.388 2.415 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(OCC)c2)C[C@H]1C ZINC000947754887 646554483 /nfs/dbraw/zinc/55/44/83/646554483.db2.gz VWHDAANILBTCOV-ZBFHGGJFSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3ccc(COC)o3)CCC[C@@H]12 ZINC000991710815 646592981 /nfs/dbraw/zinc/59/29/81/646592981.db2.gz NAZCVGYKGASFDY-AEFFLSMTSA-N 0 3 316.401 2.176 20 30 DEEDHN C#C[C@H](CCC)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000811992063 646600617 /nfs/dbraw/zinc/60/06/17/646600617.db2.gz CNWNWOAQAVUKLH-IAGOWNOFSA-N 0 3 301.434 2.260 20 30 DEEDHN C#C[C@@H](CCC)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000811992064 646600770 /nfs/dbraw/zinc/60/07/70/646600770.db2.gz 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c1cc2c3c(c1)C(=NNCCCN1CCOCC1)CC[C@H]3CN2 ZINC000814923946 646947202 /nfs/dbraw/zinc/94/72/02/646947202.db2.gz RLGBNVGAJZJJBX-AWEZNQCLSA-N 0 3 314.433 2.006 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn4ccccc34)CCC[C@H]12 ZINC000992325985 646948158 /nfs/dbraw/zinc/94/81/58/646948158.db2.gz FVKNUJAYDWPYSE-WMZOPIPTSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccn4ccnc34)CCC[C@@H]12 ZINC000992331007 646948834 /nfs/dbraw/zinc/94/88/34/646948834.db2.gz PIMQQQCUXNPQIA-QAPCUYQASA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ncoc3C3CC3)CCC[C@@H]12 ZINC000992391593 646967086 /nfs/dbraw/zinc/96/70/86/646967086.db2.gz AVNZNVKZYCMTJX-CXAGYDPISA-N 0 3 301.390 2.465 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn4c3CCCC4)CCC[C@H]12 ZINC000992392736 646968593 /nfs/dbraw/zinc/96/85/93/646968593.db2.gz CKEWKIMUOHEIMQ-WMZOPIPTSA-N 0 3 314.433 2.132 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4nccn4c3)CCC[C@@H]12 ZINC000992398647 646970143 /nfs/dbraw/zinc/97/01/43/646970143.db2.gz 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C=C(C)CN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H]1C ZINC000993432826 647667603 /nfs/dbraw/zinc/66/76/03/647667603.db2.gz OERRRDQAZHRKPU-ZFWWWQNUSA-N 0 3 317.433 2.246 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cncc(COC)c2)[C@H]1C ZINC000993469919 647673916 /nfs/dbraw/zinc/67/39/16/647673916.db2.gz YYHFSXVPXIJZDB-PBHICJAKSA-N 0 3 317.433 2.387 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000993488302 647685751 /nfs/dbraw/zinc/68/57/51/647685751.db2.gz PJMAXQXXRWYFMK-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nccc3occc32)[C@@H]1C ZINC000993636276 647712835 /nfs/dbraw/zinc/71/28/35/647712835.db2.gz WHOCZFVAUNBCBC-DZGCQCFKSA-N 0 3 311.385 2.434 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@@H]1C ZINC000993627260 647718312 /nfs/dbraw/zinc/71/83/12/647718312.db2.gz XOODZVYWHQUJTN-SWLSCSKDSA-N 0 3 303.406 2.118 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2c[nH]c3cnccc23)[C@@H]1C ZINC000993718736 647729499 /nfs/dbraw/zinc/72/94/99/647729499.db2.gz 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DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C1 ZINC000942040181 649139701 /nfs/dbraw/zinc/13/97/01/649139701.db2.gz HVFMDMWORQWAEQ-KBPBESRZSA-N 0 3 304.438 2.170 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H](C)C1 ZINC000942042996 649140420 /nfs/dbraw/zinc/14/04/20/649140420.db2.gz XBRDBGUQFUPSPM-HUUCEWRRSA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](C)C1 ZINC000942052318 649142915 /nfs/dbraw/zinc/14/29/15/649142915.db2.gz FDDLNOKHDYRITF-BBRMVZONSA-N 0 3 302.422 2.234 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnn2C2CCC2)[C@@H](C)C1 ZINC000942055786 649145471 /nfs/dbraw/zinc/14/54/71/649145471.db2.gz CGKWFDVKKVMIDP-HOCLYGCPSA-N 0 3 314.433 2.072 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(-c3ccccc3)cn2)[C@H](C)C1 ZINC000942063115 649147449 /nfs/dbraw/zinc/14/74/49/649147449.db2.gz CNCDZLDKCIPEAL-WBVHZDCISA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H](C)C1 ZINC000942147934 649168491 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C#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000942343650 649206563 /nfs/dbraw/zinc/20/65/63/649206563.db2.gz KNVDPKQSAHEKDC-RDJZCZTQSA-N 0 3 314.429 2.006 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@@H](C)C1 ZINC000942395254 649214777 /nfs/dbraw/zinc/21/47/77/649214777.db2.gz XCICULJFUIWZRW-DOTOQJQBSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](C)C1 ZINC000942468508 649225336 /nfs/dbraw/zinc/22/53/36/649225336.db2.gz XOZQNQNDFWUNPU-UONOGXRCSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ocnc2C(F)(F)F)[C@@H](C)C1 ZINC000942528927 649235440 /nfs/dbraw/zinc/23/54/40/649235440.db2.gz BPHWYSGUACEUEX-UWVGGRQHSA-N 0 3 317.311 2.320 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2sc(C)nc2C)[C@@H](C)C1 ZINC000942524825 649236763 /nfs/dbraw/zinc/23/67/63/649236763.db2.gz DMNQNRCQDKIJHA-WFASDCNBSA-N 0 3 319.474 2.152 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)[C@H](C)C1 ZINC000942546875 649242483 /nfs/dbraw/zinc/24/24/83/649242483.db2.gz 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CC#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)s2)[C@@H](C)C1 ZINC000945005745 649597782 /nfs/dbraw/zinc/59/77/82/649597782.db2.gz FCFDPSJNUCLAEL-SMDDNHRTSA-N 0 3 305.447 2.223 20 30 DEEDHN CCC(=O)N1CCCC[C@@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000073087327 649603904 /nfs/dbraw/zinc/60/39/04/649603904.db2.gz MEGZITJSOWRHMR-VXGBXAGGSA-N 0 3 305.403 2.419 20 30 DEEDHN C=C(C)CONC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000845590381 651257914 /nfs/dbraw/zinc/25/79/14/651257914.db2.gz BSHQIAZCYRZELL-UHFFFAOYSA-N 0 3 307.394 2.393 20 30 DEEDHN COc1cccc(O)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008090 651301355 /nfs/dbraw/zinc/30/13/55/651301355.db2.gz TWHVGCVSXBCGFT-QGZVFWFLSA-N 0 3 312.369 2.438 20 30 DEEDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008090 651301356 /nfs/dbraw/zinc/30/13/56/651301356.db2.gz TWHVGCVSXBCGFT-QGZVFWFLSA-N 0 3 312.369 2.438 20 30 DEEDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008090 651301358 /nfs/dbraw/zinc/30/13/58/651301358.db2.gz 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/nfs/dbraw/zinc/63/99/05/651639905.db2.gz OUQJQLULKBSJRB-OAHLLOKOSA-N 0 3 303.406 2.270 20 30 DEEDHN Cn1ncc(C2CCC2)c1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000849333335 651652283 /nfs/dbraw/zinc/65/22/83/651652283.db2.gz MTGIRZKJLDKLQT-SFHVURJKSA-N 0 3 310.401 2.382 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849578188 651686589 /nfs/dbraw/zinc/68/65/89/651686589.db2.gz USFDHFHDSVZFIX-UAGQMJEPSA-N 0 3 318.465 2.316 20 30 DEEDHN CO[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCCC1 ZINC000850757628 651982120 /nfs/dbraw/zinc/98/21/20/651982120.db2.gz NHHPAPYSSZGCOY-RDJZCZTQSA-N 0 3 314.385 2.217 20 30 DEEDHN CC(C)(C)OC(=O)[C@@]1(C(=O)C(C#N)c2ccncn2)CC1(C)C ZINC000850947348 652026466 /nfs/dbraw/zinc/02/64/66/652026466.db2.gz GGVCUGDHSVTTSI-DIFFPNOSSA-N 0 3 315.373 2.411 20 30 DEEDHN CO[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NCc2cccc(C)c2)C1 ZINC000850976729 652034166 /nfs/dbraw/zinc/03/41/66/652034166.db2.gz HLLIKQZLMFEZGV-ARFHVFGLSA-N 0 3 314.385 2.135 20 30 DEEDHN 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318.417 2.273 20 30 DEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cc(C#N)ccc1F ZINC000852155131 652354157 /nfs/dbraw/zinc/35/41/57/652354157.db2.gz ZFQFOFYMIHAPRW-AWEZNQCLSA-N 0 3 318.396 2.369 20 30 DEEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000852518301 652414481 /nfs/dbraw/zinc/41/44/81/652414481.db2.gz DZKWUGITTQRJSU-OAHLLOKOSA-N 0 3 304.365 2.111 20 30 DEEDHN C=C(C)CNC(=S)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000853051487 652495294 /nfs/dbraw/zinc/49/52/94/652495294.db2.gz MMEREIQRDZFVAD-AWEZNQCLSA-N 0 3 311.495 2.012 20 30 DEEDHN C#CCCCOc1cccnc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000853241542 652528637 /nfs/dbraw/zinc/52/86/37/652528637.db2.gz LCOYZPCVTXZTIA-CVEARBPZSA-N 0 3 315.417 2.149 20 30 DEEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001356690369 1152112000 /nfs/dbraw/zinc/11/20/00/1152112000.db2.gz PHPXNRZBRIGEOA-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000858921977 685620000 /nfs/dbraw/zinc/62/00/00/685620000.db2.gz 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COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C(C)C)C[C@@H]1C ZINC001054395857 693959975 /nfs/dbraw/zinc/95/99/75/693959975.db2.gz ADZKXFHSTXDIOX-XJKSGUPXSA-N 0 3 315.417 2.159 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COCC(F)F)cc1 ZINC000860471051 685930784 /nfs/dbraw/zinc/93/07/84/685930784.db2.gz YMTLVHZUZUAJIK-LBPRGKRZSA-N 0 3 310.300 2.178 20 30 DEEDHN CCC[C@@H](OCC)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000860483021 685932085 /nfs/dbraw/zinc/93/20/85/685932085.db2.gz OIIGJWACTYVQTF-QWHCGFSZSA-N 0 3 304.394 2.386 20 30 DEEDHN CC(C)[C@H](NC=O)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000860533894 685937490 /nfs/dbraw/zinc/93/74/90/685937490.db2.gz YRDMDSRHQLSQIW-GWCFXTLKSA-N 0 3 319.361 2.382 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1ccnc(Cl)c1 ZINC001054637574 694011982 /nfs/dbraw/zinc/01/19/82/694011982.db2.gz NMBHRJHGSALPJM-SWLSCSKDSA-N 0 3 317.820 2.085 20 30 DEEDHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)ccc1C#N ZINC000863032060 686422691 /nfs/dbraw/zinc/42/26/91/686422691.db2.gz LAURDLJNWUQOJQ-INIZCTEOSA-N 0 3 313.401 2.314 20 30 DEEDHN CC(=[NH+][N-]c1ccnc(C)c1)c1cccc(N2CCOCC2)c1 ZINC000863158886 686438754 /nfs/dbraw/zinc/43/87/54/686438754.db2.gz WDWUYOSCWLVXIJ-UHFFFAOYSA-N 0 3 310.401 2.485 20 30 DEEDHN CCN(CCO)c1ccc(C=[NH+][N-]c2ccnc(C)c2)c(C)c1 ZINC000863158428 686438823 /nfs/dbraw/zinc/43/88/23/686438823.db2.gz AYAJBXPKMVNNFA-UHFFFAOYSA-N 0 3 312.417 2.385 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ccnn2C)C1 ZINC001054679434 694022379 /nfs/dbraw/zinc/02/23/79/694022379.db2.gz JTBGGOHJJJUYGB-RISCZKNCSA-N 0 3 324.856 2.135 20 30 DEEDHN C=CCC(F)(F)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000863490726 686509731 /nfs/dbraw/zinc/50/97/31/686509731.db2.gz KGTQUWDGOQDSLS-UHFFFAOYSA-N 0 3 316.392 2.301 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccc(Cl)nc1 ZINC000863552016 686520033 /nfs/dbraw/zinc/52/00/33/686520033.db2.gz VKIXQWGSBBEYCG-CQSZACIVSA-N 0 3 317.776 2.136 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](NCc2cccnc2)C1 ZINC001054748273 694037575 /nfs/dbraw/zinc/03/75/75/694037575.db2.gz MLYUNNZKDXXFMK-WBVHZDCISA-N 0 3 324.428 2.319 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NCc2cccnc2)C1 ZINC001054748270 694037944 /nfs/dbraw/zinc/03/79/44/694037944.db2.gz MLYUNNZKDXXFMK-NVXWUHKLSA-N 0 3 324.428 2.319 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cccc(OC)n2)C1 ZINC001054977027 694088074 /nfs/dbraw/zinc/08/80/74/694088074.db2.gz SIVQKKBZZITZTL-DZGCQCFKSA-N 0 3 317.433 2.239 20 30 DEEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)[C@H](O)C(F)(F)F ZINC000865711409 687309574 /nfs/dbraw/zinc/30/95/74/687309574.db2.gz NMRZOQHSZLXYNP-FZMZJTMJSA-N 0 3 315.339 2.438 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cnc(C)nc2C(C)C)C1 ZINC001015790424 687423120 /nfs/dbraw/zinc/42/31/20/687423120.db2.gz KCJIJBMHXOYBQV-CQSZACIVSA-N 0 3 302.422 2.289 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2occc2Br)C1 ZINC001015859660 687443779 /nfs/dbraw/zinc/44/37/79/687443779.db2.gz GHZJRDOSRZNTHF-JTQLQIEISA-N 0 3 313.195 2.422 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001015931470 687469846 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C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(OC)cc2F)CC1 ZINC001016708189 687686661 /nfs/dbraw/zinc/68/66/61/687686661.db2.gz DSFBEUNQBZYVLY-MRXNPFEDSA-N 0 3 316.376 2.052 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(Cl)cn2C)CC1 ZINC001016718200 687689746 /nfs/dbraw/zinc/68/97/46/687689746.db2.gz AZKRGZWHNXUVFB-HNNXBMFYSA-N 0 3 319.836 2.286 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2c(F)cccc2F)CC1 ZINC001016792643 687703829 /nfs/dbraw/zinc/70/38/29/687703829.db2.gz URONAGHQEVSSSH-INIZCTEOSA-N 0 3 318.367 2.111 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2CCC(OC)CC2)CC1 ZINC001016796170 687704606 /nfs/dbraw/zinc/70/46/06/687704606.db2.gz LVMRHEFNJUUTFK-JCYILVPMSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2coc(C3CCC3)n2)CC1 ZINC001016920906 687734071 /nfs/dbraw/zinc/73/40/71/687734071.db2.gz LMTKYGKDWVIQSU-HNNXBMFYSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(F)cccc2F)CC1 ZINC001016945692 687740484 /nfs/dbraw/zinc/74/04/84/687740484.db2.gz BUXZNJSTDBFFFZ-AWEZNQCLSA-N 0 3 304.340 2.182 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001016965528 687745080 /nfs/dbraw/zinc/74/50/80/687745080.db2.gz QYZVOLDRVUFBDO-QGZVFWFLSA-N 0 3 307.397 2.385 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001016991739 687751117 /nfs/dbraw/zinc/75/11/17/687751117.db2.gz FIKVUAFOIKKPGH-UCIFAOBLSA-N 0 3 312.457 2.273 20 30 DEEDHN CCCCCCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867995930 687867671 /nfs/dbraw/zinc/86/76/71/687867671.db2.gz YVUPYRNBCXIECX-UHFFFAOYSA-N 0 3 324.513 2.378 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccn1 ZINC001017376536 687877241 /nfs/dbraw/zinc/87/72/41/687877241.db2.gz VZURESIZPISQKL-HRCADAONSA-N 0 3 302.422 2.086 20 30 DEEDHN CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489921 687901664 /nfs/dbraw/zinc/90/16/64/687901664.db2.gz RINJFBUFSFPQFT-VBNZEHGJSA-N 0 3 300.406 2.221 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1OC ZINC001017676346 687936988 /nfs/dbraw/zinc/93/69/88/687936988.db2.gz MRRGOTILMGUOPD-YVSFHVDLSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncccc1F ZINC001017853255 687971693 /nfs/dbraw/zinc/97/16/93/687971693.db2.gz KIADIUGBSOUPGP-OKILXGFUSA-N 0 3 303.381 2.015 20 30 DEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001018027864 688032616 /nfs/dbraw/zinc/03/26/16/688032616.db2.gz CTHSDMQJJIDULX-IXDOHACOSA-N 0 3 305.466 2.111 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1cccc(OC)c1 ZINC000868582226 688066677 /nfs/dbraw/zinc/06/66/77/688066677.db2.gz WNHJJDXXHJYKKT-UHFFFAOYSA-N 0 3 302.418 2.044 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000868652833 688092288 /nfs/dbraw/zinc/09/22/88/688092288.db2.gz KTVKEJVQDKNSKS-HNNXBMFYSA-N 0 3 309.360 2.091 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1OC ZINC001018330755 688111352 /nfs/dbraw/zinc/11/13/52/688111352.db2.gz RIYMUWHJJUGGAP-YYIAUSFCSA-N 0 3 306.450 2.443 20 30 DEEDHN Cc1nc(C(C)C)ccc1CN[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001018633353 688189553 /nfs/dbraw/zinc/18/95/53/688189553.db2.gz WRMBXCMZURJUPH-CJNGLKHVSA-N 0 3 314.433 2.364 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)/C=C\C3CC3)C2)s1 ZINC001018666607 688199748 /nfs/dbraw/zinc/19/97/48/688199748.db2.gz DPAWSGHPHLVHCJ-RJNRQISESA-N 0 3 301.415 2.276 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)cc1F ZINC001018820318 688239856 /nfs/dbraw/zinc/23/98/56/688239856.db2.gz QGMQQGPVFFLSHB-STQMWFEESA-N 0 3 323.318 2.043 20 30 DEEDHN N#Cc1ccncc1N1CCN(CC2CCC(C#N)CC2)CC1 ZINC000930551473 694188182 /nfs/dbraw/zinc/18/81/82/694188182.db2.gz CJHOCKKRUXSPPZ-UHFFFAOYSA-N 0 3 309.417 2.405 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2ccc(OC)nc2)C1 ZINC001019332110 688330393 /nfs/dbraw/zinc/33/03/93/688330393.db2.gz KGBPTOZYAPYDHX-YJBOKZPZSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC001019445289 688358408 /nfs/dbraw/zinc/35/84/08/688358408.db2.gz NHLAUPAVFFXHMH-GJZGRUSLSA-N 0 3 300.402 2.301 20 30 DEEDHN CC(C)(C)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001019691982 688391952 /nfs/dbraw/zinc/39/19/52/688391952.db2.gz BUDDMYRLLZPXJN-AWEZNQCLSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnn2CC2CCC2)C1 ZINC001020158952 688476839 /nfs/dbraw/zinc/47/68/39/688476839.db2.gz FAIITSMBUQFHGD-HDJSIYSDSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn(CC)nc2C2CC2)C1 ZINC001020202590 688483815 /nfs/dbraw/zinc/48/38/15/688483815.db2.gz NGAPAKMWOZWRGX-JOCQHMNTSA-N 0 3 322.840 2.383 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ncnc3ccsc32)C1 ZINC001020220891 688487086 /nfs/dbraw/zinc/48/70/86/688487086.db2.gz VRBDWDVJSBEEEQ-MGCOHNPYSA-N 0 3 322.821 2.294 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H](NCc2cncs2)C1 ZINC001020241569 688489833 /nfs/dbraw/zinc/48/98/33/688489833.db2.gz QFNDCXHJXPATGD-JOCQHMNTSA-N 0 3 316.430 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001020290712 688497533 /nfs/dbraw/zinc/49/75/33/688497533.db2.gz QVZVEWVGWZGTQA-RAIGVLPGSA-N 0 3 322.840 2.068 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001020293031 688498689 /nfs/dbraw/zinc/49/86/89/688498689.db2.gz NGEVUBGSLBAPJH-RAIGVLPGSA-N 0 3 322.840 2.068 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(OC)c(C)c2)C1 ZINC001023650053 688518565 /nfs/dbraw/zinc/51/85/65/688518565.db2.gz RTSVWAJVAXFDKT-INIZCTEOSA-N 0 3 314.429 2.469 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001028716486 688541833 /nfs/dbraw/zinc/54/18/33/688541833.db2.gz YSZVNJKUJWZYST-GFCCVEGCSA-N 0 3 315.398 2.088 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871151996 688735771 /nfs/dbraw/zinc/73/57/71/688735771.db2.gz JDBWBTLQQJVQFD-AWEZNQCLSA-N 0 3 315.417 2.268 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000930742754 694230622 /nfs/dbraw/zinc/23/06/22/694230622.db2.gz JWCKRTVSKBSKKQ-CVEARBPZSA-N 0 3 301.434 2.062 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Br)cn1 ZINC000872233641 688959016 /nfs/dbraw/zinc/95/90/16/688959016.db2.gz DQEFBTKOFYJYTP-LBPRGKRZSA-N 0 3 312.211 2.234 20 30 DEEDHN CN(CCCOc1ccc(C#N)cc1)[C@H]1CCCCN(C)C1=O ZINC000872263596 688967668 /nfs/dbraw/zinc/96/76/68/688967668.db2.gz RGGADRNPUHMUOX-KRWDZBQOSA-N 0 3 315.417 2.270 20 30 DEEDHN N#CC1(CCN2CCNC(=O)CC23CCOCC3)CCCCC1 ZINC000872285582 688974226 /nfs/dbraw/zinc/97/42/26/688974226.db2.gz YCNQEFNNDAMABV-UHFFFAOYSA-N 0 3 319.449 2.222 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001031872773 689012052 /nfs/dbraw/zinc/01/20/52/689012052.db2.gz UPUQHBZKKCZNSR-UHFFFAOYSA-N 0 3 317.433 2.427 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2CN([C@H](C)c3ccccc3)C2)c1 ZINC001031963005 689032265 /nfs/dbraw/zinc/03/22/65/689032265.db2.gz AOIYDCOIYRBRGW-OAHLLOKOSA-N 0 3 319.408 2.486 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cc(Br)co2)C1 ZINC001032028374 689045566 /nfs/dbraw/zinc/04/55/66/689045566.db2.gz MAZGTVDRARZNGF-UHFFFAOYSA-N 0 3 313.195 2.280 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001032160325 689074950 /nfs/dbraw/zinc/07/49/50/689074950.db2.gz QAKCSPKEBHYJMA-INIZCTEOSA-N 0 3 302.805 2.051 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001032187424 689079736 /nfs/dbraw/zinc/07/97/36/689079736.db2.gz RQHQYCWTNVLLAS-UHFFFAOYSA-N 0 3 307.397 2.367 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001032197933 689081584 /nfs/dbraw/zinc/08/15/84/689081584.db2.gz AUBDECRZKXRXOJ-LSDHHAIUSA-N 0 3 318.367 2.140 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001032223419 689086567 /nfs/dbraw/zinc/08/65/67/689086567.db2.gz CFLFHEJFXOZYCT-UHFFFAOYSA-N 0 3 307.397 2.367 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)c1 ZINC001032340600 689125280 /nfs/dbraw/zinc/12/52/80/689125280.db2.gz ZMIFYQJCPMFLNJ-HOTGVXAUSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C(C)C ZINC001032494564 689166581 /nfs/dbraw/zinc/16/65/81/689166581.db2.gz QIPRECRJFJSRRC-KBPBESRZSA-N 0 3 302.422 2.398 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(=O)oc1C ZINC001032509588 689171234 /nfs/dbraw/zinc/17/12/34/689171234.db2.gz NJKNFWXSBJGTBI-GJZGRUSLSA-N 0 3 316.401 2.122 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnc2ccccc21 ZINC001032507398 689171685 /nfs/dbraw/zinc/17/16/85/689171685.db2.gz ZPJQHWILJWLERJ-HOTGVXAUSA-N 0 3 324.428 2.288 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCO2)cc1 ZINC001032554868 689184773 /nfs/dbraw/zinc/18/47/73/689184773.db2.gz QETCVQCCRUFFIE-GBESFXJTSA-N 0 3 324.424 2.136 20 30 DEEDHN C=C1CN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000930892988 694264697 /nfs/dbraw/zinc/26/46/97/694264697.db2.gz LNWSITJKNGIOHK-UHFFFAOYSA-N 0 3 300.406 2.232 20 30 DEEDHN CCC#C[C@H](C)N1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906269 694268006 /nfs/dbraw/zinc/26/80/06/694268006.db2.gz PNSMOTSHDNQHNP-XKQJLSEDSA-N 0 3 301.386 2.383 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c2ccccc2nn1C ZINC001032715048 689234368 /nfs/dbraw/zinc/23/43/68/689234368.db2.gz ZOQGKMZKZQSAQY-KBPBESRZSA-N 0 3 310.401 2.048 20 30 DEEDHN COc1ccc(C#N)cc1CN1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930909458 694268585 /nfs/dbraw/zinc/26/85/85/694268585.db2.gz QFRMYJDENOITJV-JMSVASOKSA-N 0 3 301.390 2.041 20 30 DEEDHN COc1ccc(C#N)cc1CN1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930909460 694268830 /nfs/dbraw/zinc/26/88/30/694268830.db2.gz QFRMYJDENOITJV-TYNCELHUSA-N 0 3 301.390 2.041 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1csc(C2CCCC2)n1 ZINC000873497504 689258616 /nfs/dbraw/zinc/25/86/16/689258616.db2.gz MESFBODZZLHIKW-CYBMUJFWSA-N 0 3 317.414 2.354 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CN(C)c1ccccc1 ZINC001032812252 689269687 /nfs/dbraw/zinc/26/96/87/689269687.db2.gz OZQMLRFIEJDGAV-ROUUACIJSA-N 0 3 313.445 2.374 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001033083386 689381753 /nfs/dbraw/zinc/38/17/53/689381753.db2.gz JPMVHYXHANJUGQ-STQMWFEESA-N 0 3 322.840 2.115 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033118307 689394846 /nfs/dbraw/zinc/39/48/46/689394846.db2.gz BAKZYKYYWRXQHP-LSDHHAIUSA-N 0 3 302.422 2.024 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cc(C3CC3)no2)C1 ZINC001033135484 689400858 /nfs/dbraw/zinc/40/08/58/689400858.db2.gz MPXCXRKLOQJEGZ-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033241139 689435229 /nfs/dbraw/zinc/43/52/29/689435229.db2.gz SJAUUSYNFXLLHV-MRXNPFEDSA-N 0 3 301.434 2.294 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2nc3c(s2)CCC3)C1 ZINC001033262894 689442572 /nfs/dbraw/zinc/44/25/72/689442572.db2.gz MYTURIFRRGVCRY-GFCCVEGCSA-N 0 3 305.447 2.354 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnc3ccncc32)C1 ZINC001033304577 689455036 /nfs/dbraw/zinc/45/50/36/689455036.db2.gz XLHLLRIORZVVKN-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033363906 689477040 /nfs/dbraw/zinc/47/70/40/689477040.db2.gz XCMFVXAYOYMSPO-WBVHZDCISA-N 0 3 300.377 2.021 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2nccc3ccccc32)C1 ZINC001033376292 689481066 /nfs/dbraw/zinc/48/10/66/689481066.db2.gz RULAIFDDMMSECN-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnnc3ccccc32)C1 ZINC001033459512 689506519 /nfs/dbraw/zinc/50/65/19/689506519.db2.gz DYQNTYCWIQWPMV-AWEZNQCLSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001033485129 689518644 /nfs/dbraw/zinc/51/86/44/689518644.db2.gz XFDLRTMJJDFLPQ-MRXNPFEDSA-N 0 3 317.433 2.462 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033496251 689520916 /nfs/dbraw/zinc/52/09/16/689520916.db2.gz XGACCDQMHLDEEP-KRWDZBQOSA-N 0 3 300.402 2.439 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001033557647 689541543 /nfs/dbraw/zinc/54/15/43/689541543.db2.gz IYTNUIRNPVOFNI-AWEZNQCLSA-N 0 3 312.417 2.296 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001033594586 689555281 /nfs/dbraw/zinc/55/52/81/689555281.db2.gz FUHXEMGLRCHWRH-MRXNPFEDSA-N 0 3 312.417 2.145 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3ncsc3c2)C1 ZINC001033637747 689568493 /nfs/dbraw/zinc/56/84/93/689568493.db2.gz QGOVDSYWQZLSCH-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001033653756 689573228 /nfs/dbraw/zinc/57/32/28/689573228.db2.gz WGFZEVJSHMHDIF-AWEZNQCLSA-N 0 3 314.389 2.392 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033695653 689586577 /nfs/dbraw/zinc/58/65/77/689586577.db2.gz DWFREJNRJLFBIX-CQSZACIVSA-N 0 3 311.385 2.306 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033837991 689632966 /nfs/dbraw/zinc/63/29/66/689632966.db2.gz LRBPTKAZTWQEED-FGTMMUONSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001033918823 689661620 /nfs/dbraw/zinc/66/16/20/689661620.db2.gz OXMDIKSFYBTSIO-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034028047 689698260 /nfs/dbraw/zinc/69/82/60/689698260.db2.gz FCHOHGITQVANBZ-AWEZNQCLSA-N 0 3 305.809 2.295 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001034030616 689699456 /nfs/dbraw/zinc/69/94/56/689699456.db2.gz XEXGVJBHRDGPER-GOSISDBHSA-N 0 3 313.445 2.312 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034208113 689763841 /nfs/dbraw/zinc/76/38/41/689763841.db2.gz VRRUXOALYFAONR-QGZVFWFLSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001034224503 689770392 /nfs/dbraw/zinc/77/03/92/689770392.db2.gz YMEPURFNQKMTMS-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001034228625 689771972 /nfs/dbraw/zinc/77/19/72/689771972.db2.gz GRHURPBFYJYKJY-JKSUJKDBSA-N 0 3 316.449 2.462 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001034243993 689779188 /nfs/dbraw/zinc/77/91/88/689779188.db2.gz OVCVIBHTEXBAOT-AWEZNQCLSA-N 0 3 319.449 2.499 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001034284218 689795309 /nfs/dbraw/zinc/79/53/09/689795309.db2.gz ZNIIDJUGEAYGLS-AWEZNQCLSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001034296793 689799814 /nfs/dbraw/zinc/79/98/14/689799814.db2.gz LAVAXJZINFQGSJ-GFCCVEGCSA-N 0 3 308.451 2.261 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001034317084 689807863 /nfs/dbraw/zinc/80/78/63/689807863.db2.gz YSBNMPRRXULRLG-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034342985 689815134 /nfs/dbraw/zinc/81/51/34/689815134.db2.gz VDYOKBJYHCKCCS-ZDUSSCGKSA-N 0 3 306.431 2.364 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccnc(OCC)c2)C1 ZINC001034392409 689833695 /nfs/dbraw/zinc/83/36/95/689833695.db2.gz JTPBNKCRUMOWDK-INIZCTEOSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001034429341 689846909 /nfs/dbraw/zinc/84/69/09/689846909.db2.gz VGUBNMUEDVHOQD-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001034432298 689848861 /nfs/dbraw/zinc/84/88/61/689848861.db2.gz FMOITCDJNAUXCV-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000876563367 689858062 /nfs/dbraw/zinc/85/80/62/689858062.db2.gz FARYXLSYSXMRGT-SKDRFNHKSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000876569700 689861204 /nfs/dbraw/zinc/86/12/04/689861204.db2.gz WKXZVGDMHHCHJS-CYBMUJFWSA-N 0 3 300.761 2.133 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1OC(F)F ZINC000876572737 689861344 /nfs/dbraw/zinc/86/13/44/689861344.db2.gz HHHGUSPUMQAENK-SNVBAGLBSA-N 0 3 304.724 2.374 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)ccc1NC(C)=O ZINC000876582135 689865131 /nfs/dbraw/zinc/86/51/31/689865131.db2.gz UGMMGKMFGVXPQL-NSHDSACASA-N 0 3 311.769 2.062 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC000876622687 689879128 /nfs/dbraw/zinc/87/91/28/689879128.db2.gz KINUVRAPMUGEMB-CYBMUJFWSA-N 0 3 322.796 2.091 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1noc(CC)n1 ZINC000876623023 689879234 /nfs/dbraw/zinc/87/92/34/689879234.db2.gz ABWUAEITQJAFHP-WDEREUQCSA-N 0 3 312.801 2.156 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CC(=O)OCC)c1 ZINC000876673767 689896672 /nfs/dbraw/zinc/89/66/72/689896672.db2.gz RJZJHJUQPODPTQ-CYBMUJFWSA-N 0 3 310.781 2.201 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C ZINC000876695313 689905858 /nfs/dbraw/zinc/90/58/58/689905858.db2.gz WSBKMCKQFQDWRE-GFCCVEGCSA-N 0 3 319.796 2.497 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000876901495 689968787 /nfs/dbraw/zinc/96/87/87/689968787.db2.gz FFFZOKSBGOWNKN-ILXRZTDVSA-N 0 3 308.809 2.493 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2cccc(N)c2)CC1 ZINC000876922685 689973563 /nfs/dbraw/zinc/97/35/63/689973563.db2.gz HJFXFIYLKBWQCP-OAHLLOKOSA-N 0 3 307.825 2.445 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000876979106 689988719 /nfs/dbraw/zinc/98/87/19/689988719.db2.gz TXGSSNADBKIRLA-BBBLOLIVSA-N 0 3 314.735 2.025 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000876986062 689990405 /nfs/dbraw/zinc/99/04/05/689990405.db2.gz XFKVZWNTUHZDMB-CYBMUJFWSA-N 0 3 311.813 2.135 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCCOC2CCOCC2)c1 ZINC000877055516 690008944 /nfs/dbraw/zinc/00/89/44/690008944.db2.gz SWTMBMOZENEJER-UHFFFAOYSA-N 0 3 309.797 2.282 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CNCc2cn(C)nc2C)C1 ZINC001035044944 690020112 /nfs/dbraw/zinc/02/01/12/690020112.db2.gz SBBILZCTVCJSKV-MRXNPFEDSA-N 0 3 316.449 2.165 20 30 DEEDHN Cc1cc2c(CCNC(=O)[C@H](N)CCCC#N)c[nH]c2cc1F ZINC000877207563 690045690 /nfs/dbraw/zinc/04/56/90/690045690.db2.gz AYZJLAFYRUGLQU-OAHLLOKOSA-N 0 3 316.380 2.295 20 30 DEEDHN C[C@H]1CCN[C@@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC000877216730 690048591 /nfs/dbraw/zinc/04/85/91/690048591.db2.gz XYVKRIBLFCJZRM-SUMWQHHRSA-N 0 3 323.400 2.130 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035185805 690053900 /nfs/dbraw/zinc/05/39/00/690053900.db2.gz HBYNZBHNUNQYKK-CVEARBPZSA-N 0 3 324.440 2.252 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@H]1c1ccc(OC)cc1 ZINC000877271081 690062192 /nfs/dbraw/zinc/06/21/92/690062192.db2.gz MJUVRZUQTBNWBU-CABCVRRESA-N 0 3 324.808 2.065 20 30 DEEDHN CON=Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC000877347132 690083945 /nfs/dbraw/zinc/08/39/45/690083945.db2.gz RHKSAADBMSHCSB-GOSISDBHSA-N 0 3 323.396 2.111 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(C(F)(F)F)nc1 ZINC000877430481 690110956 /nfs/dbraw/zinc/11/09/56/690110956.db2.gz KDILFTLSKIMIHA-ONGXEEELSA-N 0 3 314.311 2.299 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCOCC1)CC2 ZINC001035695047 690154702 /nfs/dbraw/zinc/15/47/02/690154702.db2.gz JXIHOXZHLBULHM-INIZCTEOSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c(Cl)cnn1C)CC2 ZINC001035710095 690157465 /nfs/dbraw/zinc/15/74/65/690157465.db2.gz VDDMAEGNQPDHDT-UHFFFAOYSA-N 0 3 322.840 2.188 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc(CC)n1)CC2 ZINC001035724091 690161599 /nfs/dbraw/zinc/16/15/99/690161599.db2.gz YRGLXFSTTMSSFN-UHFFFAOYSA-N 0 3 311.429 2.205 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc3cccn3cn1)CC2 ZINC001035731690 690163034 /nfs/dbraw/zinc/16/30/34/690163034.db2.gz PFDFBSQRYHSUOE-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]1OC)CC2 ZINC001035737481 690164401 /nfs/dbraw/zinc/16/44/01/690164401.db2.gz INKACCDUGVMDMR-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](OC)C1)CC2 ZINC001035742893 690165631 /nfs/dbraw/zinc/16/56/31/690165631.db2.gz SXBBCOPLQUTUGM-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)CC2 ZINC001035756658 690169244 /nfs/dbraw/zinc/16/92/44/690169244.db2.gz ROTOALKUPCVNRR-IRXDYDNUSA-N 0 3 300.446 2.370 20 30 DEEDHN COC[C@H](NCc1cc(C#N)cnc1Cl)C1CCOCC1 ZINC000877622352 690170855 /nfs/dbraw/zinc/17/08/55/690170855.db2.gz LNECNRIHVLVOQV-AWEZNQCLSA-N 0 3 309.797 2.138 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccn(C)c1C)CC2 ZINC001035789912 690176731 /nfs/dbraw/zinc/17/67/31/690176731.db2.gz SJTJWCRYOWKTDN-UHFFFAOYSA-N 0 3 301.434 2.448 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCO[C@@H](CC)C1)CC2 ZINC001035832493 690187761 /nfs/dbraw/zinc/18/77/61/690187761.db2.gz KCBSLFBVTAQJSE-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCc1cscn1)CC2 ZINC001035860298 690195379 /nfs/dbraw/zinc/19/53/79/690195379.db2.gz ZGHLEOYNUZABBC-UHFFFAOYSA-N 0 3 317.458 2.023 20 30 DEEDHN Cc1cc(CN[C@@H](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)on1 ZINC001036403623 690342636 /nfs/dbraw/zinc/34/26/36/690342636.db2.gz LFBDDWUKUOQBKM-GOEBONIOSA-N 0 3 315.417 2.113 20 30 DEEDHN Cc1ncc(CN[C@@H](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001036407512 690343336 /nfs/dbraw/zinc/34/33/36/690343336.db2.gz BXSBPCNBDUOGNR-BBRMVZONSA-N 0 3 315.417 2.113 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C\Cl)C2)c1 ZINC001036679813 690431424 /nfs/dbraw/zinc/43/14/24/690431424.db2.gz MPDVWMHTMWWGHA-PNRWAXBJSA-N 0 3 318.808 2.175 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@H](C)C[C@@H](CO)C1)c1ccccc1 ZINC000878721324 690486012 /nfs/dbraw/zinc/48/60/12/690486012.db2.gz VPXTWSVDDDNZCF-SZVBFZGTSA-N 0 3 314.429 2.377 20 30 DEEDHN C=CCN1CCC(NC(=O)c2coc(-c3ccccn3)n2)CC1 ZINC000878751099 690491490 /nfs/dbraw/zinc/49/14/90/690491490.db2.gz RWUZESWKOGZTIZ-UHFFFAOYSA-N 0 3 312.373 2.117 20 30 DEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CC2(CCC2)CO1 ZINC000878802633 690502947 /nfs/dbraw/zinc/50/29/47/690502947.db2.gz MKYARYXYIWRLIM-DLBZAZTESA-N 0 3 300.402 2.483 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCC[C@H]1NC(=O)C(F)F ZINC001036918157 690528013 /nfs/dbraw/zinc/52/80/13/690528013.db2.gz HMKXXZGROFBEJI-UONOGXRCSA-N 0 3 307.344 2.198 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCC[C@@H]1NC(=O)c1cocn1 ZINC001036963216 690543084 /nfs/dbraw/zinc/54/30/84/690543084.db2.gz DYADGTKMANGCAL-HOTGVXAUSA-N 0 3 324.384 2.235 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCC[C@@H]1NC(=O)c1cnco1 ZINC001037051448 690560915 /nfs/dbraw/zinc/56/09/15/690560915.db2.gz JEQNSMSJTBILJV-HOTGVXAUSA-N 0 3 324.384 2.235 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H]2CNCc2ccn(C)n2)C1 ZINC001037075292 690566327 /nfs/dbraw/zinc/56/63/27/690566327.db2.gz NUXVRGWCYBPYOM-GOEBONIOSA-N 0 3 316.449 2.151 20 30 DEEDHN CNC(=O)NC[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000879336256 690622193 /nfs/dbraw/zinc/62/21/93/690622193.db2.gz VEWIQBXVDPWCMR-INIZCTEOSA-N 0 3 300.406 2.036 20 30 DEEDHN COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(C)[C@@H](C(C)C)C1 ZINC000879600859 690685082 /nfs/dbraw/zinc/68/50/82/690685082.db2.gz HGDLCUMIGXVOGY-SJORKVTESA-N 0 3 315.417 2.044 20 30 DEEDHN COCC#CCN1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879699410 690710115 /nfs/dbraw/zinc/71/01/15/690710115.db2.gz BNXGHRZXIUJVRY-CVEARBPZSA-N 0 3 322.449 2.358 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001038406486 690808548 /nfs/dbraw/zinc/80/85/48/690808548.db2.gz CTWPPHRCYNUOTM-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038444029 690824782 /nfs/dbraw/zinc/82/47/82/690824782.db2.gz ZXMLPDRYGSZYPD-ZDUSSCGKSA-N 0 3 304.438 2.478 20 30 DEEDHN CCOC(=O)[C@@H]1CN(CCCSCC#N)C[C@H]1C(F)(F)F ZINC000880156577 690825443 /nfs/dbraw/zinc/82/54/43/690825443.db2.gz LOUZLJYXYASTRM-GHMZBOCLSA-N 0 3 324.368 2.307 20 30 DEEDHN CO[C@@H]1COCC[C@H]1N(C)Cc1cc(Cl)ccc1OCC#N ZINC000880424722 690895282 /nfs/dbraw/zinc/89/52/82/690895282.db2.gz BISUVSJFZFFCJJ-GDBMZVCRSA-N 0 3 324.808 2.478 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038811907 690931531 /nfs/dbraw/zinc/93/15/31/690931531.db2.gz IVUFLIUAIFJHJF-KRWDZBQOSA-N 0 3 300.402 2.487 20 30 DEEDHN Cc1ccc(CN2C[C@H](O)CC3(CCOCC3)C2)cc1C#N ZINC000880581126 690932586 /nfs/dbraw/zinc/93/25/86/690932586.db2.gz XBPDDQMSRRNIAQ-QGZVFWFLSA-N 0 3 300.402 2.230 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC001038939076 690971480 /nfs/dbraw/zinc/97/14/80/690971480.db2.gz OTJBPCRSRZVPIP-OAHLLOKOSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001038960619 690978071 /nfs/dbraw/zinc/97/80/71/690978071.db2.gz JWXHPSVSANYZKU-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038973124 690981249 /nfs/dbraw/zinc/98/12/49/690981249.db2.gz RZMXWPKUJIJJJX-CQSZACIVSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001039063320 691007156 /nfs/dbraw/zinc/00/71/56/691007156.db2.gz KFSPQUJJANULRI-QGZVFWFLSA-N 0 3 315.417 2.050 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(C)n2)C1 ZINC001039184575 691042109 /nfs/dbraw/zinc/04/21/09/691042109.db2.gz CVFIJXVKBCDLQD-SJLPKXTDSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccon2)C1 ZINC001039193521 691047188 /nfs/dbraw/zinc/04/71/88/691047188.db2.gz 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BRDVMAKLVZNOIB-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CC1CC1 ZINC001381343832 1153012160 /nfs/dbraw/zinc/01/21/60/1153012160.db2.gz CEOVSFYKQIDGON-RYUDHWBXSA-N 0 3 303.381 2.480 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001402897561 1162523572 /nfs/dbraw/zinc/52/35/72/1162523572.db2.gz XFBYQKGCVMDGBS-QWHCGFSZSA-N 0 3 312.845 2.243 20 30 DEEDHN C[C@H](CNC(=O)C(C)(C)F)N(C)Cc1ccc(OCC#N)cc1 ZINC001381490009 1153086535 /nfs/dbraw/zinc/08/65/35/1153086535.db2.gz KZFIBSKZPFBSAP-CYBMUJFWSA-N 0 3 321.396 2.274 20 30 DEEDHN CCc1cccc(OCCN(C)[C@H](C)CNC(=O)[C@H](C)C#N)c1 ZINC001381508760 1153102174 /nfs/dbraw/zinc/10/21/74/1153102174.db2.gz KNQZXIIUONJNOP-HUUCEWRRSA-N 0 3 317.433 2.224 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2cccc(C#N)c2)no1 ZINC001381535327 1153113474 /nfs/dbraw/zinc/11/34/74/1153113474.db2.gz CISGZOWVYGPPTG-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN Cc1nocc1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001381569203 1153132807 /nfs/dbraw/zinc/13/28/07/1153132807.db2.gz SQSAKILQGXOHQT-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C(C)(C)C1 ZINC001362968728 1153164314 /nfs/dbraw/zinc/16/43/14/1153164314.db2.gz DBSYVHLVRQFYST-CQSZACIVSA-N 0 3 307.344 2.297 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)CC(C)C)C1 ZINC001381946271 1153284105 /nfs/dbraw/zinc/28/41/05/1153284105.db2.gz HKNNAUZJTDGMLN-HAQNSBGRSA-N 0 3 303.244 2.426 20 30 DEEDHN COc1cccc([C@@H]2CN(Cc3cc(C#N)ccn3)CCN2)c1 ZINC001363292712 1153316939 /nfs/dbraw/zinc/31/69/39/1153316939.db2.gz REDATUYMGYXRKE-SFHVURJKSA-N 0 3 308.385 2.108 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001382052121 1153333694 /nfs/dbraw/zinc/33/36/94/1153333694.db2.gz SWUXMRKQGPYHIH-BLLLJJGKSA-N 0 3 321.396 2.059 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001382052124 1153334257 /nfs/dbraw/zinc/33/42/57/1153334257.db2.gz SWUXMRKQGPYHIH-MLGOLLRUSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001363580855 1153470733 /nfs/dbraw/zinc/47/07/33/1153470733.db2.gz NXIYBLSGGUSLGA-FHLIZLRMSA-N 0 3 311.429 2.432 20 30 DEEDHN C[C@@H](NC(=O)c1cc[nH]c1)[C@H](C)NCc1ccc(C#N)s1 ZINC001402988280 1162601119 /nfs/dbraw/zinc/60/11/19/1162601119.db2.gz KWKWVNKZWBGCIV-WDEREUQCSA-N 0 3 302.403 2.244 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001388699547 1155069847 /nfs/dbraw/zinc/06/98/47/1155069847.db2.gz KBBDPCNEYZDERR-VHDGCEQUSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCOC[C@H]1C ZINC001403076625 1162692059 /nfs/dbraw/zinc/69/20/59/1162692059.db2.gz DNGIZZXIBIJICX-TZMCWYRMSA-N 0 3 316.873 2.486 20 30 DEEDHN C[C@@H](CNC(=O)CC(F)(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001403096888 1162709182 /nfs/dbraw/zinc/70/91/82/1162709182.db2.gz CWWJMQAQJRDZHJ-NSHDSACASA-N 0 3 313.323 2.447 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)CCc2cnc[nH]2)C1 ZINC001370984607 1155662738 /nfs/dbraw/zinc/66/27/38/1155662738.db2.gz UXCPHRYAXCMVDL-KGLIPLIRSA-N 0 3 324.856 2.312 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001391295486 1156318892 /nfs/dbraw/zinc/31/88/92/1156318892.db2.gz MMAZOPLDHBRADU-CHWSQXEVSA-N 0 3 316.430 2.108 20 30 DEEDHN CCN(CCNC(=O)c1coc(C)n1)Cc1ccc(C#N)cc1 ZINC001372320163 1156355323 /nfs/dbraw/zinc/35/53/23/1156355323.db2.gz JWNYTDWCECYKRM-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ncc2ccccn21)C(C)C ZINC001392225707 1156898071 /nfs/dbraw/zinc/89/80/71/1156898071.db2.gz GYQYAUYDQRUMKH-CQSZACIVSA-N 0 3 320.824 2.431 20 30 DEEDHN CCCC[C@@H](CNCc1cnc(C)s1)NC(=O)[C@H](C)C#N ZINC001403283158 1162837498 /nfs/dbraw/zinc/83/74/98/1162837498.db2.gz ULFATYVPLSPUDU-YPMHNXCESA-N 0 3 308.451 2.376 20 30 DEEDHN COc1cccc(CN2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)c1C ZINC001373664234 1157235242 /nfs/dbraw/zinc/23/52/42/1157235242.db2.gz APGLHWHUTXZQKF-CJNGLKHVSA-N 0 3 315.417 2.196 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001373672139 1157243631 /nfs/dbraw/zinc/24/36/31/1157243631.db2.gz WJMOKZCLGZLVSY-CJNGLKHVSA-N 0 3 310.401 2.360 20 30 DEEDHN CC[C@@H](CNC(=O)c1cc[nH]c1)NCc1ccc(C#N)c(F)c1 ZINC001373757527 1157343946 /nfs/dbraw/zinc/34/39/46/1157343946.db2.gz YDXLFHYXIYSSLB-HNNXBMFYSA-N 0 3 314.364 2.324 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H](C)CSC ZINC001403350383 1162859417 /nfs/dbraw/zinc/85/94/17/1162859417.db2.gz PVIRMPXCPMQVID-MWLCHTKSSA-N 0 3 323.300 2.379 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)CC2CC2)C2CC2)cc1F ZINC001392755828 1157389884 /nfs/dbraw/zinc/38/98/84/1157389884.db2.gz MOLFOQZFDQHIIT-QGZVFWFLSA-N 0 3 315.392 2.482 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)c1 ZINC001392940457 1157551778 /nfs/dbraw/zinc/55/17/78/1157551778.db2.gz QPEHLXCETSROLV-DLBZAZTESA-N 0 3 309.413 2.343 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)ncn2)CCCC1 ZINC001374159483 1157674798 /nfs/dbraw/zinc/67/47/98/1157674798.db2.gz NICMDIMYLNEHRR-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cn(C)nc2C)CCCC1 ZINC001374162278 1157677696 /nfs/dbraw/zinc/67/76/96/1157677696.db2.gz NYYBKVZTVUNCNX-UHFFFAOYSA-N 0 3 324.856 2.042 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2C[C@]23CCOC3)CCCC1 ZINC001374179863 1157694230 /nfs/dbraw/zinc/69/42/30/1157694230.db2.gz VTYBWTDTJIUFTF-HIFRSBDPSA-N 0 3 312.841 2.184 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001374208901 1157728505 /nfs/dbraw/zinc/72/85/05/1157728505.db2.gz VUWPEPFSACSJGI-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)c1cc[nH]c1 ZINC001374229673 1157749246 /nfs/dbraw/zinc/74/92/46/1157749246.db2.gz ZFEMYEAMTDUJME-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001403470322 1162892317 /nfs/dbraw/zinc/89/23/17/1162892317.db2.gz HKKJZSXPMGYUMP-YPMHNXCESA-N 0 3 324.856 2.316 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC1(C)C ZINC001374877467 1158071344 /nfs/dbraw/zinc/07/13/44/1158071344.db2.gz UFXJXRXMJJPDKP-SMDDNHRTSA-N 0 3 303.381 2.338 20 30 DEEDHN COC[C@H](C)CC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394127300 1158319597 /nfs/dbraw/zinc/31/95/97/1158319597.db2.gz SRXBGUCNCXLKIC-CABCVRRESA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCn1cccc1 ZINC001375127556 1158336543 /nfs/dbraw/zinc/33/65/43/1158336543.db2.gz JJAPQVCQRDSUHC-MRXNPFEDSA-N 0 3 324.428 2.387 20 30 DEEDHN C=C(Br)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001403536779 1162967711 /nfs/dbraw/zinc/96/77/11/1162967711.db2.gz XLQPLJNYUOXPKF-OASPWFOLSA-N 0 3 315.255 2.378 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cn1nccc1C ZINC001376026103 1159059277 /nfs/dbraw/zinc/05/92/77/1159059277.db2.gz SRRNGVUDESTTTI-CABCVRRESA-N 0 3 324.856 2.303 20 30 DEEDHN CO[C@H](C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001403591074 1163029031 /nfs/dbraw/zinc/02/90/31/1163029031.db2.gz BGWISWVMYXEYDR-WFASDCNBSA-N 0 3 323.462 2.227 20 30 DEEDHN CCc1oncc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001376814945 1159811129 /nfs/dbraw/zinc/81/11/29/1159811129.db2.gz DSUAXOGNMWOOMJ-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN CS[C@H](C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001377065212 1159889621 /nfs/dbraw/zinc/88/96/21/1159889621.db2.gz GBGZFHJGISXWIM-VXGBXAGGSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1csc2cncn21 ZINC001377080396 1159893412 /nfs/dbraw/zinc/89/34/12/1159893412.db2.gz KWEYWIBPDPHWFB-JTQLQIEISA-N 0 3 312.826 2.246 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)CCCF)C1 ZINC001397666726 1160389372 /nfs/dbraw/zinc/38/93/72/1160389372.db2.gz PZBPYKQKLBGERW-XYPYZODXSA-N 0 3 307.207 2.129 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nc(C)n2ccccc12 ZINC001377464001 1160392235 /nfs/dbraw/zinc/39/22/35/1160392235.db2.gz RGJVQXOTXXMDRW-LBPRGKRZSA-N 0 3 320.824 2.493 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccn2)CC(C)(C)C1 ZINC001397804182 1160526975 /nfs/dbraw/zinc/52/69/75/1160526975.db2.gz FBULQUJRSMAQJE-LSDHHAIUSA-N 0 3 314.433 2.348 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001398760007 1161092903 /nfs/dbraw/zinc/09/29/03/1161092903.db2.gz FUSICOOMOHXKOC-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN CCN(CCNC(=O)c1ccncc1)Cc1ccc(C#N)cc1 ZINC001492902043 1161929848 /nfs/dbraw/zinc/92/98/48/1161929848.db2.gz AMYZMRZLGXBWJF-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC1(F)F ZINC001401758722 1162113255 /nfs/dbraw/zinc/11/32/55/1162113255.db2.gz MDBQDVNGIHCTQU-BXUZGUMPSA-N 0 3 307.344 2.150 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001402120070 1162253154 /nfs/dbraw/zinc/25/31/54/1162253154.db2.gz BNBCEPUHYDGODA-DYVFJYSZSA-N 0 3 303.381 2.396 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)[C@@H]1CCc2ccc(F)cc21 ZINC001492927166 1163371638 /nfs/dbraw/zinc/37/16/38/1163371638.db2.gz RHDZDCCXKMOSCN-BLLLJJGKSA-N 0 3 303.381 2.411 20 30 DEEDHN CCc1nc(C)c(CNCC2(NC(=O)[C@H](C)C#N)CCCC2)o1 ZINC001405360825 1164063366 /nfs/dbraw/zinc/06/33/66/1164063366.db2.gz MRUFJASUVPULNY-GFCCVEGCSA-N 0 3 318.421 2.224 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001406601857 1164720982 /nfs/dbraw/zinc/72/09/82/1164720982.db2.gz CKAPUCSXQFRYPR-GJZGRUSLSA-N 0 3 317.433 2.310 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC001417992850 1167349037 /nfs/dbraw/zinc/34/90/37/1167349037.db2.gz WLEPHNNTIJVKQI-HOCLYGCPSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ncn2ccc(C)cc12 ZINC001418405253 1167630497 /nfs/dbraw/zinc/63/04/97/1167630497.db2.gz LCRWASCTCHHCRM-CYBMUJFWSA-N 0 3 320.824 2.493 20 30 DEEDHN Cc1cccc(C)c1CN(C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001418452374 1167667329 /nfs/dbraw/zinc/66/73/29/1167667329.db2.gz ZHZHFNCLJZBDNC-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)c1cccc2nc[nH]c21 ZINC001418569227 1167818678 /nfs/dbraw/zinc/81/86/78/1167818678.db2.gz SHQIQUCTWMPMJZ-UHFFFAOYSA-N 0 3 306.797 2.367 20 30 DEEDHN CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001419313231 1168391471 /nfs/dbraw/zinc/39/14/71/1168391471.db2.gz CRSAXUKOWRZNBM-MASHWEEQSA-N 0 3 320.824 2.423 20 30 DEEDHN CCc1noc(C)c1CNC1(CNC(=O)[C@H](C)C#N)CCCC1 ZINC001419587575 1168631810 /nfs/dbraw/zinc/63/18/10/1168631810.db2.gz AUWRIBVWBIEOGC-GFCCVEGCSA-N 0 3 318.421 2.224 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cscn1 ZINC001419653956 1168759075 /nfs/dbraw/zinc/75/90/75/1168759075.db2.gz GLKZMLQYSCBNGZ-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001419708221 1168812835 /nfs/dbraw/zinc/81/28/35/1168812835.db2.gz UJDOFKNSSADQGQ-SWLSCSKDSA-N 0 3 321.396 2.251 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)CCOC1CCCCCC1 ZINC001419954956 1169003984 /nfs/dbraw/zinc/00/39/84/1169003984.db2.gz XGCFPWXDFXKWIR-OAHLLOKOSA-N 0 3 309.454 2.276 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC1CCC1 ZINC001420405236 1169486376 /nfs/dbraw/zinc/48/63/76/1169486376.db2.gz NGRNPTOAZSCYQM-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001420467415 1169603868 /nfs/dbraw/zinc/60/38/68/1169603868.db2.gz GBFMIJNRVPVAAM-WFASDCNBSA-N 0 3 323.462 2.275 20 30 DEEDHN N#Cc1cc(CN2CC[C@H](CCNC(=O)C3CC3)C2)ccc1F ZINC001420829978 1171234219 /nfs/dbraw/zinc/23/42/19/1171234219.db2.gz OXOZKHLMSWLBQI-ZDUSSCGKSA-N 0 3 315.392 2.436 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCN1C(=O)C(C)(C)c1cnc[nH]1 ZINC001421135566 1171521873 /nfs/dbraw/zinc/52/18/73/1171521873.db2.gz JPBCDUHZBVCRRX-LBPRGKRZSA-N 0 3 310.829 2.020 20 30 DEEDHN Cc1cnc([C@@H](C)NCC2(NC(=O)[C@H](C)C#N)CCCC2)cn1 ZINC001421505982 1171826239 /nfs/dbraw/zinc/82/62/39/1171826239.db2.gz KMZLVJCRAANWLO-TZMCWYRMSA-N 0 3 315.421 2.024 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ncc[nH]2)CCCC[C@H]1C ZINC001421594921 1171862581 /nfs/dbraw/zinc/86/25/81/1171862581.db2.gz WQBXHZGUKDDGAX-IAQYHMDHSA-N 0 3 310.829 2.431 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(N(C)C)ccn1)C(C)C ZINC001422140757 1172337973 /nfs/dbraw/zinc/33/79/73/1172337973.db2.gz KUQKWLMOBGUUKM-OAHLLOKOSA-N 0 3 324.856 2.244 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cc(F)c[nH]1 ZINC001422545107 1172694095 /nfs/dbraw/zinc/69/40/95/1172694095.db2.gz YQDTUCIZZWZNGU-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001422791286 1172865182 /nfs/dbraw/zinc/86/51/82/1172865182.db2.gz SHBAQCIVKOIIJV-STQMWFEESA-N 0 3 305.447 2.246 20 30 DEEDHN Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)cc1F ZINC001422806207 1172871563 /nfs/dbraw/zinc/87/15/63/1172871563.db2.gz OHTIRYSYFWKVOX-MIGQKNRLSA-N 0 3 315.392 2.088 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccnn2CCC)C1 ZINC001422900677 1172907814 /nfs/dbraw/zinc/90/78/14/1172907814.db2.gz LHNHSUNRNKNBOE-JOCQHMNTSA-N 0 3 310.829 2.144 20 30 DEEDHN Cc1[nH]ccc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001423196140 1173160789 /nfs/dbraw/zinc/16/07/89/1173160789.db2.gz XCGFJKCCEHMZSL-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(CC)nnc1C ZINC001424598083 1173845566 /nfs/dbraw/zinc/84/55/66/1173845566.db2.gz VKCHDTIHBJZVFY-NSHDSACASA-N 0 3 310.829 2.198 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)COCC1CC1 ZINC001424759615 1173907123 /nfs/dbraw/zinc/90/71/23/1173907123.db2.gz AUHKSCGACJSNSE-NEPJUHHUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001424795380 1173937558 /nfs/dbraw/zinc/93/75/58/1173937558.db2.gz TVESMTVPURIANQ-STQMWFEESA-N 0 3 312.845 2.162 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cncs1)NCc1ccc(C#N)s1 ZINC001425526690 1174351457 /nfs/dbraw/zinc/35/14/57/1174351457.db2.gz CZJUJDBCYTWDGU-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN Cc1ncoc1C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001425547183 1174365004 /nfs/dbraw/zinc/36/50/04/1174365004.db2.gz OYRJJPYOGIWGRY-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN CCCc1nc(C)c(CNC2CC(N(C)C(=O)[C@H](C)C#N)C2)o1 ZINC001426230514 1174661503 /nfs/dbraw/zinc/66/15/03/1174661503.db2.gz 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C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC(C)(F)F ZINC001439143779 1180895739 /nfs/dbraw/zinc/89/57/39/1180895739.db2.gz IMHBYVNZYJWKTM-SECBINFHSA-N 0 3 301.362 2.259 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001439315374 1181013924 /nfs/dbraw/zinc/01/39/24/1181013924.db2.gz ULTFFWBKFJNQAA-KBPBESRZSA-N 0 3 310.401 2.331 20 30 DEEDHN Cc1conc1CNC[C@H]1CC[C@H](CNC(=O)[C@@H](C)C#N)CC1 ZINC001440126558 1181360178 /nfs/dbraw/zinc/36/01/78/1181360178.db2.gz GEYMOBZCEBRTLK-QEJZJMRPSA-N 0 3 318.421 2.155 20 30 DEEDHN CC(C)C(=O)NC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001440274722 1181419883 /nfs/dbraw/zinc/41/98/83/1181419883.db2.gz MVYWXODLIGPXAD-OTVXOJSOSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001440299083 1181433528 /nfs/dbraw/zinc/43/35/28/1181433528.db2.gz AQVBGBUMRMUWDX-MELADBBJSA-N 0 3 323.824 2.086 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001440990687 1181815243 /nfs/dbraw/zinc/81/52/43/1181815243.db2.gz 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C=C(Cl)CNCCCNC(=O)c1nccc2cccnc21 ZINC001160160947 790410885 /nfs/dbraw/zinc/41/08/85/790410885.db2.gz DCTXASBKJMRPNR-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN C=CCCCC(=O)NC1(C)CCN(C(=O)CN(CC)CC)CC1 ZINC001073045791 790414282 /nfs/dbraw/zinc/41/42/82/790414282.db2.gz YCJLOBARYWDHNJ-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc(C)cc4cn[nH]c43)C2)C1 ZINC001073055877 790421620 /nfs/dbraw/zinc/42/16/20/790421620.db2.gz DLGOYEBDIOCSSH-UHFFFAOYSA-N 0 3 322.412 2.043 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc(C)cc4c[nH]nc43)C2)C1 ZINC001073055877 790421625 /nfs/dbraw/zinc/42/16/25/790421625.db2.gz DLGOYEBDIOCSSH-UHFFFAOYSA-N 0 3 322.412 2.043 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cn(C)nc3C(C)(C)C)C2)C1 ZINC001073062694 790425869 /nfs/dbraw/zinc/42/58/69/790425869.db2.gz NFXBOZXIIKFBEO-UHFFFAOYSA-N 0 3 316.449 2.052 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCO[C@@H](CCC)C3)C2)C1 ZINC001073083916 790443445 /nfs/dbraw/zinc/44/34/45/790443445.db2.gz NKHWRDPODNTDON-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc(OC)cc3F)C2)C1 ZINC001073099673 790454685 /nfs/dbraw/zinc/45/46/85/790454685.db2.gz FPPAXSCBGUBVAP-UHFFFAOYSA-N 0 3 318.392 2.097 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn([C@@H](C)CC)c3C)C2)C1 ZINC001073111917 790463838 /nfs/dbraw/zinc/46/38/38/790463838.db2.gz CCOINSXHDARZIL-AWEZNQCLSA-N 0 3 316.449 2.496 20 30 DEEDHN C=C(C)CCC(=O)NC1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001073125179 790472548 /nfs/dbraw/zinc/47/25/48/790472548.db2.gz OARHFCWTSQCIGM-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCC2CCC2)cc1F ZINC001125380143 776862347 /nfs/dbraw/zinc/86/23/47/776862347.db2.gz MBARHSAFPDMFMR-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(OC)cc(OC)c3)C2)C1 ZINC001073148908 790488441 /nfs/dbraw/zinc/48/84/41/790488441.db2.gz NYCACOWDLFRKFK-UHFFFAOYSA-N 0 3 316.401 2.038 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@]2(C)CCOC2)CC1 ZINC001167531794 777291803 /nfs/dbraw/zinc/29/18/03/777291803.db2.gz BBGZWYRXNLMPEL-AWEZNQCLSA-N 0 3 300.830 2.042 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@]2(C)CCOC2)CC1 ZINC001167531795 777291846 /nfs/dbraw/zinc/29/18/46/777291846.db2.gz BBGZWYRXNLMPEL-CQSZACIVSA-N 0 3 300.830 2.042 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001167670264 777499947 /nfs/dbraw/zinc/49/99/47/777499947.db2.gz ZNIFUIQMMMNTEU-CZUORRHYSA-N 0 3 312.841 2.042 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211595212 777507162 /nfs/dbraw/zinc/50/71/62/777507162.db2.gz NOFHRHRXCFIHEN-ZWKOTPCHSA-N 0 3 308.425 2.253 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@H](O)C1 ZINC001090791148 790544844 /nfs/dbraw/zinc/54/48/44/790544844.db2.gz QPGZUGLSOKDARQ-ZIAGYGMSSA-N 0 3 308.447 2.106 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCC1CC1)C[C@@H](C)O2 ZINC001098578449 777563502 /nfs/dbraw/zinc/56/35/02/777563502.db2.gz VADPYAJMDQOJRO-OAHLLOKOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)C1CC1)C[C@@H](C)O2 ZINC001098580710 777592467 /nfs/dbraw/zinc/59/24/67/777592467.db2.gz RXLLEWKRIWVGPG-HUUCEWRRSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cccc(C)n3)C(C)(C)[C@H]21 ZINC001087271769 777678413 /nfs/dbraw/zinc/67/84/13/777678413.db2.gz WWPQVERZNIXGBS-OIISXLGYSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc[nH]c3CC)C(C)(C)[C@H]21 ZINC001087284673 777726501 /nfs/dbraw/zinc/72/65/01/777726501.db2.gz MBBBHPIXRFQMDG-OIISXLGYSA-N 0 3 313.445 2.429 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cocc3C)C(C)(C)[C@H]21 ZINC001087299012 777748063 /nfs/dbraw/zinc/74/80/63/777748063.db2.gz OROQWMZSQLAUFS-BMFZPTHFSA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(OC)o1 ZINC001087309975 777770031 /nfs/dbraw/zinc/77/00/31/777770031.db2.gz OVKKCUBTPFJTIH-UHOFOFEASA-N 0 3 316.401 2.140 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1C(F)(F)F ZINC001112036901 778110399 /nfs/dbraw/zinc/11/03/99/778110399.db2.gz VAHZXTUSMIKTTR-ZIAGYGMSSA-N 0 3 310.319 2.302 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC001104774985 778170102 /nfs/dbraw/zinc/17/01/02/778170102.db2.gz YFOLSTKUEPAILQ-ZWNOBZJWSA-N 0 3 310.829 2.158 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001112048778 778174266 /nfs/dbraw/zinc/17/42/66/778174266.db2.gz JQECXJHJCUDOEW-JHJVBQTASA-N 0 3 322.371 2.214 20 30 DEEDHN CS[C@@H](C)CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001125871633 778202277 /nfs/dbraw/zinc/20/22/77/778202277.db2.gz BLRXVODNVZRETA-NSHDSACASA-N 0 3 309.410 2.045 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)OCCCC)C[C@H]1C(F)(F)F ZINC001112066036 778270255 /nfs/dbraw/zinc/27/02/55/778270255.db2.gz YIDQMKOXDSCRKH-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090869111 790626971 /nfs/dbraw/zinc/62/69/71/790626971.db2.gz QSYPEIYKELSDCT-RBUKOAKNSA-N 0 3 324.424 2.323 20 30 DEEDHN C#CCCCC(=O)NCCNCc1ccc(Cl)c(OC)c1 ZINC001126338422 778757943 /nfs/dbraw/zinc/75/79/43/778757943.db2.gz ABULTOSHNZYIGP-UHFFFAOYSA-N 0 3 308.809 2.358 20 30 DEEDHN C#CCCCC(=O)NCCNCc1ccc(OC)c(Cl)c1 ZINC001126338823 778759133 /nfs/dbraw/zinc/75/91/33/778759133.db2.gz JHDPDAQCXMNMGK-UHFFFAOYSA-N 0 3 308.809 2.358 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001075621199 778766258 /nfs/dbraw/zinc/76/62/58/778766258.db2.gz RPMGMVXHEROKKN-XOKHGSTOSA-N 0 3 315.392 2.348 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CSC)[C@H](OC)C1 ZINC001211827778 778908365 /nfs/dbraw/zinc/90/83/65/778908365.db2.gz KIDQINSWUPSKRL-ZIAGYGMSSA-N 0 3 302.484 2.135 20 30 DEEDHN C=CCCC(=O)N1CCC(CNCc2cc3n(n2)CCC3)CC1 ZINC001204754102 779250786 /nfs/dbraw/zinc/25/07/86/779250786.db2.gz VUYBKVNVXCGUHK-UHFFFAOYSA-N 0 3 316.449 2.124 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)nn2C)[C@H]1CC ZINC001087588609 779366061 /nfs/dbraw/zinc/36/60/61/779366061.db2.gz DXKQHMMBFWUOHF-DZGCQCFKSA-N 0 3 302.422 2.066 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H]1CC ZINC001087630474 779386093 /nfs/dbraw/zinc/38/60/93/779386093.db2.gz LDEDUVAEPPWHAU-GOEBONIOSA-N 0 3 312.417 2.342 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc(C)nc2C)[C@H]1CC ZINC001087765920 779442333 /nfs/dbraw/zinc/44/23/33/779442333.db2.gz FXGBGJSEZSUXGZ-JKSUJKDBSA-N 0 3 302.422 2.252 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCN(CC#N)[C@@H]1CC ZINC001087792193 779453640 /nfs/dbraw/zinc/45/36/40/779453640.db2.gz RRIALVCILJKSDK-BBWFWOEESA-N 0 3 320.481 2.134 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H]1CC ZINC001087797615 779454477 /nfs/dbraw/zinc/45/44/77/779454477.db2.gz YVIPCSNFLAWZIG-UONOGXRCSA-N 0 3 304.438 2.233 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3c(C)cncc3C)C[C@@H]2C1 ZINC001088040616 779652739 /nfs/dbraw/zinc/65/27/39/779652739.db2.gz ZGJDEADSBYKSIF-SJORKVTESA-N 0 3 311.429 2.116 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4ncccc43)C[C@@H]2C1 ZINC001088059566 779662964 /nfs/dbraw/zinc/66/29/64/779662964.db2.gz IOTXTDKJQVQYHZ-CVEARBPZSA-N 0 3 319.408 2.262 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001073586922 790732048 /nfs/dbraw/zinc/73/20/48/790732048.db2.gz CINMJALEBMSCCH-AWEZNQCLSA-N 0 3 306.406 2.239 20 30 DEEDHN C=CCN1CC[C@@H]2CN(C(=O)c3ocnc3C(F)F)C[C@@H]2C1 ZINC001088108552 779706631 /nfs/dbraw/zinc/70/66/31/779706631.db2.gz GTLGAKJPCNHDLO-MNOVXSKESA-N 0 3 311.332 2.192 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)C[C@@H]2C1 ZINC001088109457 779707004 /nfs/dbraw/zinc/70/70/04/779707004.db2.gz GJMSUGODWLGFSD-KGLIPLIRSA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@@H]2C1 ZINC001088140496 779723678 /nfs/dbraw/zinc/72/36/78/779723678.db2.gz PNCFQKSVUYUQHM-HIFRSBDPSA-N 0 3 317.820 2.152 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4ccccc4n3)C[C@@H]2C1 ZINC001088180110 779758909 /nfs/dbraw/zinc/75/89/09/779758909.db2.gz QBWCJISDBIMVNJ-SJORKVTESA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)CC(C)C)CC2)C1 ZINC001088228317 779784677 /nfs/dbraw/zinc/78/46/77/779784677.db2.gz NGZOSDHOCHQJTO-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC001088238020 779795379 /nfs/dbraw/zinc/79/53/79/779795379.db2.gz IOIUVDAMLBQILP-MRXNPFEDSA-N 0 3 324.440 2.252 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1CCCCCN(C(C)=O)C1 ZINC001088240559 779804009 /nfs/dbraw/zinc/80/40/09/779804009.db2.gz CAKNCEWUVMDSGZ-KRWDZBQOSA-N 0 3 315.417 2.448 20 30 DEEDHN Cc1ncc(CN[C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001088280489 779901881 /nfs/dbraw/zinc/90/18/81/779901881.db2.gz RTWPXFRLPKPSAV-GXTWGEPZSA-N 0 3 320.462 2.472 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@H](NCc2ccc(F)cn2)C1 ZINC001088281385 779903087 /nfs/dbraw/zinc/90/30/87/779903087.db2.gz MEALFTUDMWCNQH-BBRMVZONSA-N 0 3 318.396 2.241 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cn(C)cn2)C1 ZINC001088296141 779920065 /nfs/dbraw/zinc/92/00/65/779920065.db2.gz LNEZHRQKRRSCLY-CYBMUJFWSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cncn2C)C1 ZINC001088342136 779995784 /nfs/dbraw/zinc/99/57/84/779995784.db2.gz BNJQXDPONSWIKC-ZDUSSCGKSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CCCOC2)CC1 ZINC001168197876 780459178 /nfs/dbraw/zinc/45/91/78/780459178.db2.gz CVGNBZWNCINOSS-CQSZACIVSA-N 0 3 314.857 2.432 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H]1C ZINC001088560871 780465192 /nfs/dbraw/zinc/46/51/92/780465192.db2.gz NJRBRUYEMNIRRP-KGLIPLIRSA-N 0 3 304.438 2.312 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)OCC)[C@H](OC)C1 ZINC001211917987 780468759 /nfs/dbraw/zinc/46/87/59/780468759.db2.gz RGOFEBDXUPMHJM-BZUAXINKSA-N 0 3 314.470 2.197 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@H]1C ZINC001088563297 780481276 /nfs/dbraw/zinc/48/12/76/780481276.db2.gz LGCPDHHRGKJPEX-ILXRZTDVSA-N 0 3 313.873 2.191 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)[C@H]1C ZINC001088621664 780660052 /nfs/dbraw/zinc/66/00/52/780660052.db2.gz NKQMKVBIKLRDBM-QAPCUYQASA-N 0 3 322.412 2.088 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)[C@H]1C ZINC001088658153 780693896 /nfs/dbraw/zinc/69/38/96/780693896.db2.gz LAZCZMAWJKPEKX-ZNMIVQPWSA-N 0 3 316.449 2.234 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)n([C@H](C)CC)n2)[C@H]1C ZINC001088687326 780710861 /nfs/dbraw/zinc/71/08/61/780710861.db2.gz BDMQMDRMKKKMDB-BMFZPTHFSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001168356050 780908357 /nfs/dbraw/zinc/90/83/57/780908357.db2.gz HYHHJWWRDBWICP-UHFFFAOYSA-N 0 3 321.812 2.037 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001073759349 790852339 /nfs/dbraw/zinc/85/23/39/790852339.db2.gz XJMXEBNFXSBJFN-JZXOWHBKSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccnn2C(F)F)C1 ZINC001091048322 790858519 /nfs/dbraw/zinc/85/85/19/790858519.db2.gz UCUFFXZGFSZDNU-UHFFFAOYSA-N 0 3 318.755 2.129 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn(C)c3CC)[C@@H]2C1 ZINC001076242739 781183712 /nfs/dbraw/zinc/18/37/12/781183712.db2.gz PULQZHXKAYMTQP-WMLDXEAASA-N 0 3 301.434 2.310 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c[nH]nc3C3CC3)[C@@H]2C1 ZINC001076420842 781258783 /nfs/dbraw/zinc/25/87/83/781258783.db2.gz KNOVTMQZCCYAJF-DZGCQCFKSA-N 0 3 300.406 2.010 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001076797666 781389399 /nfs/dbraw/zinc/38/93/99/781389399.db2.gz SYSNXWZFIVLULP-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001076927961 781427089 /nfs/dbraw/zinc/42/70/89/781427089.db2.gz ULTJEHNGDXQXOH-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001076952542 781435763 /nfs/dbraw/zinc/43/57/63/781435763.db2.gz YXBMPIRXKBCZQN-YOEHRIQHSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2csnc2C)[C@H](OC)C1 ZINC001212134538 781645688 /nfs/dbraw/zinc/64/56/88/781645688.db2.gz VADCZUVLWAMLTL-NILFDRSVSA-N 0 3 323.462 2.235 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CNCc2csnc2OC)[C@H](C)C1 ZINC001105929310 781871181 /nfs/dbraw/zinc/87/11/81/781871181.db2.gz KCXBIWALFZFQEH-CHWSQXEVSA-N 0 3 323.462 2.302 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c2ccn3C)C[C@@H]1C ZINC000947815671 783237106 /nfs/dbraw/zinc/23/71/06/783237106.db2.gz VYSJCWDOMLCREQ-GJZGRUSLSA-N 0 3 309.413 2.394 20 30 DEEDHN CC/C=C/CCN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212253376 783246524 /nfs/dbraw/zinc/24/65/24/783246524.db2.gz CYCAEGCIDNHIQU-XLBHYRNJSA-N 0 3 306.450 2.208 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1nccn1CC ZINC001089635226 783304323 /nfs/dbraw/zinc/30/43/23/783304323.db2.gz MYRLCEQNELGUGG-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000948073928 783310337 /nfs/dbraw/zinc/31/03/37/783310337.db2.gz OWEZYIHTTOBWAH-UKRRQHHQSA-N 0 3 317.408 2.108 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2csc(COC)n2)C[C@H]1C ZINC000948087258 783316346 /nfs/dbraw/zinc/31/63/46/783316346.db2.gz YDOPRJFHTVZZNU-VXGBXAGGSA-N 0 3 309.435 2.058 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001089663883 783335009 /nfs/dbraw/zinc/33/50/09/783335009.db2.gz WYVKHUTXJUZNHN-CQSZACIVSA-N 0 3 316.449 2.216 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnnc1 ZINC001089704261 783368633 /nfs/dbraw/zinc/36/86/33/783368633.db2.gz UPEREKLXYRNERS-HNNXBMFYSA-N 0 3 302.422 2.273 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001091153813 790937571 /nfs/dbraw/zinc/93/75/71/790937571.db2.gz IFUCZLGDSWFAMT-PQAZSJQKSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](N(C)C(=O)Cc2ccn[nH]2)CC1 ZINC000948261952 783399309 /nfs/dbraw/zinc/39/93/09/783399309.db2.gz OYJWORTUJQRUHL-AWEZNQCLSA-N 0 3 310.829 2.018 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212307135 783443458 /nfs/dbraw/zinc/44/34/58/783443458.db2.gz VIVBAFXPOZUYNJ-HZPDHXFCSA-N 0 3 305.422 2.190 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2c(Cl)cnn2C)CC1 ZINC000948376892 783445288 /nfs/dbraw/zinc/44/52/88/783445288.db2.gz CYPFTXSVESXEIY-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@H](OC)C1 ZINC001212337619 783467309 /nfs/dbraw/zinc/46/73/09/783467309.db2.gz XNVOFNVJQZWRQN-CHWSQXEVSA-N 0 3 300.830 2.157 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001073905099 790949716 /nfs/dbraw/zinc/94/97/16/790949716.db2.gz VPGWKUPGACYKRN-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001073905101 790950093 /nfs/dbraw/zinc/95/00/93/790950093.db2.gz VPGWKUPGACYKRN-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cn(C(C)C)cn2)CC1 ZINC000948647672 783548791 /nfs/dbraw/zinc/54/87/91/783548791.db2.gz JXNAICSOYQPNDT-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)c3ccco3)C2)ccc1F ZINC000966267845 783614945 /nfs/dbraw/zinc/61/49/45/783614945.db2.gz YCXDBWWGBCIDAL-CQSZACIVSA-N 0 3 313.332 2.295 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC000966385448 783649791 /nfs/dbraw/zinc/64/97/91/783649791.db2.gz JCFNKRLSXIBAND-SMDDNHRTSA-N 0 3 309.360 2.376 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC)n1 ZINC001085380838 783663917 /nfs/dbraw/zinc/66/39/17/783663917.db2.gz TVEAAZUOMGVDHO-CHWSQXEVSA-N 0 3 323.824 2.473 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CCc2cccs2)C[C@H]1O ZINC001099974492 783668951 /nfs/dbraw/zinc/66/89/51/783668951.db2.gz RMZNMEKULBMUSR-JKSUJKDBSA-N 0 3 322.474 2.198 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC000966630493 783715023 /nfs/dbraw/zinc/71/50/23/783715023.db2.gz GYXBALBDWLGWLW-DYVFJYSZSA-N 0 3 317.433 2.497 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2cnccc2C)C1 ZINC000966841409 783777437 /nfs/dbraw/zinc/77/74/37/783777437.db2.gz HNMFXNBZQWIWLH-RDJZCZTQSA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001085593557 783860260 /nfs/dbraw/zinc/86/02/60/783860260.db2.gz LZJKZMUZUXVKLF-MRXNPFEDSA-N 0 3 302.422 2.331 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000967055784 783870237 /nfs/dbraw/zinc/87/02/37/783870237.db2.gz CXWZGGTVGCFZMX-SUMWQHHRSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967333154 783955880 /nfs/dbraw/zinc/95/58/80/783955880.db2.gz GIBUREBTKWTEIN-RDJZCZTQSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2nncc3ccccc32)C1 ZINC000967339532 783957586 /nfs/dbraw/zinc/95/75/86/783957586.db2.gz SPBQWOJGRPGNBB-YOEHRIQHSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)[nH]cc1NC(C)=O ZINC001085683667 783963570 /nfs/dbraw/zinc/96/35/70/783963570.db2.gz XANFYIDJNJALKH-AWEZNQCLSA-N 0 3 318.421 2.004 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC000967357718 783963703 /nfs/dbraw/zinc/96/37/03/783963703.db2.gz NTQDDXRQKSJQEO-GUYCJALGSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cncc(C)c2)C1 ZINC000967471020 784024250 /nfs/dbraw/zinc/02/42/50/784024250.db2.gz VWISOIGYABGYFW-WBVHZDCISA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC001085755259 784045843 /nfs/dbraw/zinc/04/58/43/784045843.db2.gz AZPCDEULWRGTJZ-CQSZACIVSA-N 0 3 314.389 2.254 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085851887 784137675 /nfs/dbraw/zinc/13/76/75/784137675.db2.gz JDDOWZSLLASIMY-OAHLLOKOSA-N 0 3 314.433 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085878783 784171821 /nfs/dbraw/zinc/17/18/21/784171821.db2.gz MUECXHXQRMFKFS-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncccc1OC ZINC001085945802 784238409 /nfs/dbraw/zinc/23/84/09/784238409.db2.gz RGYGKBWXNRCWMX-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001085952445 784248136 /nfs/dbraw/zinc/24/81/36/784248136.db2.gz BZGSHGJTADLRHB-ROUUACIJSA-N 0 3 314.429 2.237 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccnc1N(C)C ZINC001085970804 784271813 /nfs/dbraw/zinc/27/18/13/784271813.db2.gz LHIRPZFBEWXISG-HNNXBMFYSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001085981641 784280759 /nfs/dbraw/zinc/28/07/59/784280759.db2.gz QMIKBLVVLYOCDD-HOCLYGCPSA-N 0 3 316.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cn2)C1 ZINC000968346537 784307199 /nfs/dbraw/zinc/30/71/99/784307199.db2.gz WLTMKNMBNYHRCB-CRAIPNDOSA-N 0 3 313.445 2.036 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)n(C(C)C)n1 ZINC001086006071 784309991 /nfs/dbraw/zinc/30/99/91/784309991.db2.gz VIMAZEWISGQLJX-HNNXBMFYSA-N 0 3 304.438 2.495 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000968409310 784368064 /nfs/dbraw/zinc/36/80/64/784368064.db2.gz LHJHJMISLUFDSN-WMLDXEAASA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968414036 784370189 /nfs/dbraw/zinc/37/01/89/784370189.db2.gz OQZODQYDNBRUNX-SWLSCSKDSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC000968480471 784409979 /nfs/dbraw/zinc/40/99/79/784409979.db2.gz MKAZJFLUUFGUFO-WBVHZDCISA-N 0 3 316.449 2.003 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1C[C@@H](NCc2ccccn2)C1 ZINC001086107695 784411479 /nfs/dbraw/zinc/41/14/79/784411479.db2.gz HKADYCAKTIDCKL-WOVMCDHWSA-N 0 3 324.428 2.367 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001086104678 784412028 /nfs/dbraw/zinc/41/20/28/784412028.db2.gz NQVNIHYHMJLFPS-XGUBFFRZSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001086134637 784429587 /nfs/dbraw/zinc/42/95/87/784429587.db2.gz QUGMZZCRAVFUJE-TXEJJXNPSA-N 0 3 310.829 2.384 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001086138663 784431706 /nfs/dbraw/zinc/43/17/06/784431706.db2.gz VAMUPCFYWOLRGC-XBXGTLAGSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968520415 784442672 /nfs/dbraw/zinc/44/26/72/784442672.db2.gz IJPUHPFYRXUVAG-DZGCQCFKSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000968520415 784442674 /nfs/dbraw/zinc/44/26/74/784442674.db2.gz IJPUHPFYRXUVAG-DZGCQCFKSA-N 0 3 316.449 2.305 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc3nccn3c2)C1 ZINC000968529385 784447341 /nfs/dbraw/zinc/44/73/41/784447341.db2.gz PVSULVUDHYAMHT-HOCLYGCPSA-N 0 3 312.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001086162626 784456430 /nfs/dbraw/zinc/45/64/30/784456430.db2.gz YNIYXKTXHDCSGZ-BETUJISGSA-N 0 3 323.824 2.255 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001086164047 784456559 /nfs/dbraw/zinc/45/65/59/784456559.db2.gz UKROFAYMSXMPIC-BJHJDKERSA-N 0 3 310.829 2.213 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC000968560934 784465417 /nfs/dbraw/zinc/46/54/17/784465417.db2.gz GVHLANDYKQHHHT-NVXWUHKLSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC000968603188 784496186 /nfs/dbraw/zinc/49/61/86/784496186.db2.gz VMXXCFHWNKEADT-MAUKXSAKSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001086214968 784497640 /nfs/dbraw/zinc/49/76/40/784497640.db2.gz XCTWNISPQXGYMV-BETUJISGSA-N 0 3 310.829 2.315 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000968678514 784537750 /nfs/dbraw/zinc/53/77/50/784537750.db2.gz RHVSEGIUVNEHLE-WFASDCNBSA-N 0 3 317.433 2.420 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2csc(COC)n2)C1 ZINC000968694816 784542532 /nfs/dbraw/zinc/54/25/32/784542532.db2.gz AZVMVQNVJDZCER-QWHCGFSZSA-N 0 3 323.462 2.306 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2OCC)C1 ZINC000968713342 784552249 /nfs/dbraw/zinc/55/22/49/784552249.db2.gz NQNYMRQXUTUIAG-GJZGRUSLSA-N 0 3 317.433 2.497 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(OC)ns2)C1 ZINC001086369736 784627832 /nfs/dbraw/zinc/62/78/32/784627832.db2.gz YGZPOZMEINSABV-MGCOHNPYSA-N 0 3 315.826 2.002 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC000968884743 784635782 /nfs/dbraw/zinc/63/57/82/784635782.db2.gz BEAPYZWIYGPDDD-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2oc3ccc(F)cc3c2C)C1 ZINC000968915983 784648679 /nfs/dbraw/zinc/64/86/79/784648679.db2.gz VGOBJQRIEGJAIU-CYBMUJFWSA-N 0 3 300.333 2.318 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnn(C)c1CC ZINC000968931194 784656204 /nfs/dbraw/zinc/65/62/04/784656204.db2.gz ISISWGSPRWGHKH-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000968955488 784668562 /nfs/dbraw/zinc/66/85/62/784668562.db2.gz XGWDAFNSHVMZJF-KSZLIROESA-N 0 3 318.461 2.186 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1coc(COC)n1 ZINC000969096642 784725563 /nfs/dbraw/zinc/72/55/63/784725563.db2.gz AVOPHFAFBZAPGA-AWEZNQCLSA-N 0 3 321.421 2.372 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC000969101049 784726581 /nfs/dbraw/zinc/72/65/81/784726581.db2.gz OUCGOCQUCHXHMI-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC000969100965 784727987 /nfs/dbraw/zinc/72/79/87/784727987.db2.gz NDTWIAZEVXUUOF-CQSZACIVSA-N 0 3 302.422 2.448 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2noc3c2CCCC3)C1 ZINC001091252374 791062034 /nfs/dbraw/zinc/06/20/34/791062034.db2.gz RLAFXVBPSVFXIC-UHFFFAOYSA-N 0 3 323.824 2.404 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](O)C1 ZINC001100121453 784861031 /nfs/dbraw/zinc/86/10/31/784861031.db2.gz AERMIEOTKBHFLY-GJZGRUSLSA-N 0 3 308.466 2.024 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c[nH]1 ZINC001007153783 784861678 /nfs/dbraw/zinc/86/16/78/784861678.db2.gz CLVNLZNOFRPZFK-KRWDZBQOSA-N 0 3 322.412 2.323 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001007324975 784887811 /nfs/dbraw/zinc/88/78/11/784887811.db2.gz GDQSEDOSOWGJRU-GJZGRUSLSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001007350061 784897781 /nfs/dbraw/zinc/89/77/81/784897781.db2.gz DZBJANIGLPPXJI-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001007374880 784901066 /nfs/dbraw/zinc/90/10/66/784901066.db2.gz NOFMQKHXUKAXFD-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001007443670 784922472 /nfs/dbraw/zinc/92/24/72/784922472.db2.gz NBAPAEAEEHFFTM-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OCC=C)cc2)C1 ZINC001007670638 784973221 /nfs/dbraw/zinc/97/32/21/784973221.db2.gz ULOAFGNPWZYJLP-QGZVFWFLSA-N 0 3 312.413 2.469 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001091263898 791070480 /nfs/dbraw/zinc/07/04/80/791070480.db2.gz XCTWNISPQXGYMV-UHFFFAOYSA-N 0 3 310.829 2.315 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001007974816 785064052 /nfs/dbraw/zinc/06/40/52/785064052.db2.gz YLVXCYPEGWLREG-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2occ3c2CCOC3)C1 ZINC001008059370 785094640 /nfs/dbraw/zinc/09/46/40/785094640.db2.gz UQHUUKJNXNYXSZ-AWEZNQCLSA-N 0 3 304.390 2.123 20 30 DEEDHN C[C@H](N)c1ccn(-c2nc3cc(C#N)c(C#N)cc3nc2Cl)n1 ZINC001169231516 785099134 /nfs/dbraw/zinc/09/91/34/785099134.db2.gz LJEWOPYLXRRIBC-QMMMGPOBSA-N 0 3 323.747 2.232 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001090419660 785159870 /nfs/dbraw/zinc/15/98/70/785159870.db2.gz BNSMVLVPLIONDF-IRXDYDNUSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001008362443 785182486 /nfs/dbraw/zinc/18/24/86/785182486.db2.gz ZYRZKVHOIJJACT-KRWDZBQOSA-N 0 3 323.440 2.325 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(C[C@@H]3CCCCO3)C2)C1 ZINC001008466083 785211697 /nfs/dbraw/zinc/21/16/97/785211697.db2.gz UVGAXPFDXRGMPT-HOTGVXAUSA-N 0 3 306.450 2.492 20 30 DEEDHN CSc1ncc(C#N)c(N2CCCc3ccc(CN)nc32)n1 ZINC001169585321 785265373 /nfs/dbraw/zinc/26/53/73/785265373.db2.gz XBTBGTVBQLZQAV-UHFFFAOYSA-N 0 3 312.402 2.008 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCCN(CCCF)C2)cc1 ZINC001008794546 785305237 /nfs/dbraw/zinc/30/52/37/785305237.db2.gz WCZAXCRQZXAYQT-INIZCTEOSA-N 0 3 318.392 2.252 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001009048003 785371460 /nfs/dbraw/zinc/37/14/60/785371460.db2.gz ZUKXZIIGKKSLRQ-KGLIPLIRSA-N 0 3 316.449 2.305 20 30 DEEDHN CC(C)n1ccc(CNCCCC[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001169832247 785374141 /nfs/dbraw/zinc/37/41/41/785374141.db2.gz MQBQDTZRCHGUBQ-GJZGRUSLSA-N 0 3 319.453 2.388 20 30 DEEDHN Cc1csc(CNCCCC[C@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001169846376 785385444 /nfs/dbraw/zinc/38/54/44/785385444.db2.gz CJFBRJNVSPWGPP-NEPJUHHUSA-N 0 3 308.451 2.376 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC[C@H](C)F)C2)cn1 ZINC001009276703 785421510 /nfs/dbraw/zinc/42/15/10/785421510.db2.gz PGJIQHKCOWVIKV-XJKSGUPXSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001009488936 785463505 /nfs/dbraw/zinc/46/35/05/785463505.db2.gz PJCGIRQMGWQNNP-LJQANCHMSA-N 0 3 310.441 2.322 20 30 DEEDHN CN(CCCNc1cccc(F)c1C#N)C(=O)[C@@H]1CCCN1C ZINC001109394762 785846715 /nfs/dbraw/zinc/84/67/15/785846715.db2.gz JVNTULUWLLVMDD-INIZCTEOSA-N 0 3 318.396 2.052 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1cc(C2CC2)no1 ZINC001156827908 785975868 /nfs/dbraw/zinc/97/58/68/785975868.db2.gz NCDVUQGXNLUSMB-UHFFFAOYSA-N 0 3 303.406 2.342 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C2 ZINC001109666355 785978282 /nfs/dbraw/zinc/97/82/82/785978282.db2.gz VPAPTTPATLBWSS-NDBYEHHHSA-N 0 3 302.340 2.320 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CCN(CC(=C)C)C[C@H]2O)CCCCC1 ZINC001100134275 786112503 /nfs/dbraw/zinc/11/25/03/786112503.db2.gz OTZYEPJSFUHLFM-DLBZAZTESA-N 0 3 318.461 2.088 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CCN(CC(=C)C)C[C@H]2O)CCCCC1 ZINC001100134276 786112533 /nfs/dbraw/zinc/11/25/33/786112533.db2.gz OTZYEPJSFUHLFM-IAGOWNOFSA-N 0 3 318.461 2.088 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2cnccc2C)CC1 ZINC001112976957 786344576 /nfs/dbraw/zinc/34/45/76/786344576.db2.gz DXPZXASZAPOYOY-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001113019532 786369774 /nfs/dbraw/zinc/36/97/74/786369774.db2.gz SHBHGONGKDYEGW-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113068658 786391084 /nfs/dbraw/zinc/39/10/84/786391084.db2.gz XGUQQVIDMQYHEB-QWHCGFSZSA-N 0 3 320.412 2.343 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001113387871 786559382 /nfs/dbraw/zinc/55/93/82/786559382.db2.gz UUFREOPEEBFALM-JKSUJKDBSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001113417730 786581842 /nfs/dbraw/zinc/58/18/42/786581842.db2.gz RTVANXHDYLUIPZ-LSDHHAIUSA-N 0 3 304.438 2.087 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001014572671 786644277 /nfs/dbraw/zinc/64/42/77/786644277.db2.gz QRJFEQNUAXPIID-INIZCTEOSA-N 0 3 307.397 2.371 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001113504421 786647419 /nfs/dbraw/zinc/64/74/19/786647419.db2.gz NHGMSSXYXUDNDL-HUUCEWRRSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001113504421 786647425 /nfs/dbraw/zinc/64/74/25/786647425.db2.gz NHGMSSXYXUDNDL-HUUCEWRRSA-N 0 3 316.449 2.014 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014984313 786839231 /nfs/dbraw/zinc/83/92/31/786839231.db2.gz QQLWTFMJALQUJH-OAHLLOKOSA-N 0 3 304.821 2.405 20 30 DEEDHN CC[C@H]1C[C@H](N2CCN(c3cc(C#N)ccn3)CC2)CCO1 ZINC001170227069 786872518 /nfs/dbraw/zinc/87/25/18/786872518.db2.gz MCKLJVROWQZXOS-CVEARBPZSA-N 0 3 300.406 2.033 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001157710192 786878856 /nfs/dbraw/zinc/87/88/56/786878856.db2.gz ASTHQNNNFUPEHU-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN CN1CC(CNc2cccc([C@H](C#N)C(=O)OC(C)(C)C)n2)C1 ZINC001170252905 786889077 /nfs/dbraw/zinc/88/90/77/786889077.db2.gz SVKUVLSPRXHTFY-ZDUSSCGKSA-N 0 3 316.405 2.004 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157718511 786910167 /nfs/dbraw/zinc/91/01/67/786910167.db2.gz BNQYYLUSUUEZQU-UHFFFAOYSA-N 0 3 323.418 2.302 20 30 DEEDHN CCOC(=O)[C@@H](C#N)Nc1ccc(CN2CCCC[C@@H]2C)cn1 ZINC001170369103 786923103 /nfs/dbraw/zinc/92/31/03/786923103.db2.gz RMRDGCKFIKKGSG-DZGCQCFKSA-N 0 3 316.405 2.323 20 30 DEEDHN CCOC(=O)C(C#N)Nc1cc(C(=O)OC)cc(C(C)C)c1 ZINC001170371430 786924996 /nfs/dbraw/zinc/92/49/96/786924996.db2.gz SWZBGQXAVRRIJW-CQSZACIVSA-N 0 3 304.346 2.464 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CCCCNCc1cc(C)n(C)n1 ZINC001170426284 787028841 /nfs/dbraw/zinc/02/88/41/787028841.db2.gz WBQQOGGLKDRSIR-HNNXBMFYSA-N 0 3 318.465 2.297 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114034009 787061892 /nfs/dbraw/zinc/06/18/92/787061892.db2.gz DODAIURHSAWEMO-ANRZDRKOSA-N 0 3 318.392 2.136 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC001114066991 787074583 /nfs/dbraw/zinc/07/45/83/787074583.db2.gz LGKNMPGYSOYMKO-RABLLNBGSA-N 0 3 319.355 2.330 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(C[C@@H]3CCCCO3)C2)cc1 ZINC001015481188 787077127 /nfs/dbraw/zinc/07/71/27/787077127.db2.gz DCKBZAYNNMQZBT-MSOLQXFVSA-N 0 3 312.413 2.041 20 30 DEEDHN CC(C)C#CC(=O)NC1[C@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC001114237670 787177363 /nfs/dbraw/zinc/17/73/63/787177363.db2.gz QEUREOBQTLEZMX-WTFCNGHHSA-N 0 3 308.425 2.406 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001015675684 787179876 /nfs/dbraw/zinc/17/98/76/787179876.db2.gz CIGAAOJAFHBFQB-HUUCEWRRSA-N 0 3 306.450 2.348 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001114248542 787183355 /nfs/dbraw/zinc/18/33/55/787183355.db2.gz YIVXAEXPXMCTQN-NHAGDIPZSA-N 0 3 316.367 2.425 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCCC23CC3)cc1F ZINC001130208221 787315328 /nfs/dbraw/zinc/31/53/28/787315328.db2.gz GNRVXJKSCIFYKF-HNNXBMFYSA-N 0 3 315.392 2.483 20 30 DEEDHN CCc1ccc(C(=O)NCCNCc2ccc(F)c(C#N)c2)o1 ZINC001130352245 787359650 /nfs/dbraw/zinc/35/96/50/787359650.db2.gz UCSHASQUCNCPLH-UHFFFAOYSA-N 0 3 315.348 2.372 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@@H](C)SC)C1 ZINC001130381206 787366362 /nfs/dbraw/zinc/36/63/62/787366362.db2.gz SLGKWTICAXYKIA-CHWSQXEVSA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)CC)C1 ZINC001130418633 787393706 /nfs/dbraw/zinc/39/37/06/787393706.db2.gz TYBNDJMHDBHZAK-ZDUSSCGKSA-N 0 3 304.438 2.437 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1Cl)C2 ZINC001096056707 787480485 /nfs/dbraw/zinc/48/04/85/787480485.db2.gz BZRRNVXRCYYYEU-UGFHNGPFSA-N 0 3 303.793 2.093 20 30 DEEDHN C=C(C)CN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)CCC)n1 ZINC001130866773 787490611 /nfs/dbraw/zinc/49/06/11/787490611.db2.gz WOGMEHZNYZPJPG-GJZGRUSLSA-N 0 3 320.437 2.287 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)nc1)C2 ZINC001096111338 787509902 /nfs/dbraw/zinc/50/99/02/787509902.db2.gz CLZIORYOMVLZLN-PMPSAXMXSA-N 0 3 312.417 2.265 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccsc1C)C2 ZINC001096110750 787511125 /nfs/dbraw/zinc/51/11/25/787511125.db2.gz RBKSLYDKDBDWKK-PMPSAXMXSA-N 0 3 302.443 2.344 20 30 DEEDHN C=CCOCCN1CC[C@@]2(C1)CN(C(=O)CCCC)C[C@@H](C)O2 ZINC001131629247 787665802 /nfs/dbraw/zinc/66/58/02/787665802.db2.gz ODZOWTPYYMFGQU-SJLPKXTDSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC(=C)C)C2)C1 ZINC001131650476 787672362 /nfs/dbraw/zinc/67/23/62/787672362.db2.gz VCJNVOWPZYGNRK-HKUYNNGSSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCC(=C)C)C[C@H](C)O2 ZINC001131665479 787675453 /nfs/dbraw/zinc/67/54/53/787675453.db2.gz GEALKEJROVMZHL-WMZOPIPTSA-N 0 3 304.434 2.058 20 30 DEEDHN C[C@H](CC(F)(F)F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131668419 787676575 /nfs/dbraw/zinc/67/65/75/787676575.db2.gz SXHDXIYWSPHZJU-LLVKDONJSA-N 0 3 313.323 2.353 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C/C=C(/C)C=C)C[C@@H](C)O2 ZINC001131678245 787689394 /nfs/dbraw/zinc/68/93/94/787689394.db2.gz WEZDFBHIUOJENP-DOAKERHHSA-N 0 3 316.445 2.224 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cncc(C)c2)CC[C@H]1C ZINC001131930402 787803067 /nfs/dbraw/zinc/80/30/67/787803067.db2.gz FUQFVQHTCLNUOL-NVXWUHKLSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CC2(OC)CCC2)CC[C@H]1C ZINC001132000032 787874630 /nfs/dbraw/zinc/87/46/30/787874630.db2.gz WEMLSCZBKOVNSG-HZPDHXFCSA-N 0 3 324.465 2.117 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(C3CC3)on2)s1 ZINC001132004043 787879852 /nfs/dbraw/zinc/87/98/52/787879852.db2.gz MMSHJPKLIRPTGR-UHFFFAOYSA-N 0 3 316.386 2.005 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132253185 787992247 /nfs/dbraw/zinc/99/22/47/787992247.db2.gz PJYZBYHWGOIZSY-HOTGVXAUSA-N 0 3 304.438 2.209 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCc2ccnn2C)C1 ZINC001132256247 787994773 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C#CCCN1C[C@@H](NC(=O)COc2ccccc2F)CC[C@H]1C ZINC001132490666 788103126 /nfs/dbraw/zinc/10/31/26/788103126.db2.gz XBPOUNIRMVKGDE-CABCVRRESA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3occc31)C2 ZINC001097571128 788138478 /nfs/dbraw/zinc/13/84/78/788138478.db2.gz MXNPUVIVYJPLFO-YUELXQCFSA-N 0 3 309.369 2.186 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc2nonc2c1 ZINC001132660053 788158098 /nfs/dbraw/zinc/15/80/98/788158098.db2.gz IGIKYYKLAKSOQS-LBPRGKRZSA-N 0 3 302.378 2.031 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2cnc(C)o2)C1 ZINC001132785970 788191624 /nfs/dbraw/zinc/19/16/24/788191624.db2.gz MMGGGCRSVNXDQG-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](C)[C@@H](CNCc2nccs2)C1 ZINC001132810501 788198937 /nfs/dbraw/zinc/19/89/37/788198937.db2.gz XSTUTQKPCARCGT-CABCVRRESA-N 0 3 319.474 2.377 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CC[C@H](F)C2)ccc1F ZINC001132954456 788242056 /nfs/dbraw/zinc/24/20/56/788242056.db2.gz 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792078973 /nfs/dbraw/zinc/07/89/73/792078973.db2.gz MXRJUVBPXKAWQQ-LSDHHAIUSA-N 0 3 318.465 2.316 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2nc(C(C)C)oc2C)[C@H](C)C1 ZINC001092603555 792080669 /nfs/dbraw/zinc/08/06/69/792080669.db2.gz BZDZBLUKZHVPPS-TZMCWYRMSA-N 0 3 303.406 2.037 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2cccnc2)C1 ZINC001099121429 792104189 /nfs/dbraw/zinc/10/41/89/792104189.db2.gz YPPZNERPEXMCIS-AYBZRNKSSA-N 0 3 311.429 2.179 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2OC)C1 ZINC001099133684 792110903 /nfs/dbraw/zinc/11/09/03/792110903.db2.gz XNEXDHVNIDKWHS-KSSFIOAISA-N 0 3 315.417 2.251 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccccc2OC)C1 ZINC001099150208 792117232 /nfs/dbraw/zinc/11/72/32/792117232.db2.gz YENNWKYQUWLXMT-LPHOPBHVSA-N 0 3 314.429 2.394 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c3ncccc23)C1 ZINC001099168891 792124685 /nfs/dbraw/zinc/12/46/85/792124685.db2.gz LQXVYNOWKZCUMJ-LIRRHRJNSA-N 0 3 322.412 2.171 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)c1cncnc1 ZINC001099198858 792136487 /nfs/dbraw/zinc/13/64/87/792136487.db2.gz GLWMNLQUPLPSMV-ZBFHGGJFSA-N 0 3 316.449 2.373 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnn(C(C)C)c2Cl)[C@H](C)C1 ZINC001092854323 792151762 /nfs/dbraw/zinc/15/17/62/792151762.db2.gz FZHQZLYWMVQZML-CHWSQXEVSA-N 0 3 322.840 2.048 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2oc(CC(C)C)nc2C)[C@H](C)C1 ZINC001093035543 792216432 /nfs/dbraw/zinc/21/64/32/792216432.db2.gz JEPAPBBXAJUUTF-UKRRQHHQSA-N 0 3 317.433 2.112 20 30 DEEDHN CC(C)=CCN1C[C@@H](NC(=O)[C@@H](C)C#N)CC2(CCOCC2)C1 ZINC001099574348 792249439 /nfs/dbraw/zinc/24/94/39/792249439.db2.gz DHPALUOEQPTFFL-HOTGVXAUSA-N 0 3 319.449 2.100 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@H](F)CC)C[C@H]2C)cn1 ZINC001093142936 792250910 /nfs/dbraw/zinc/25/09/10/792250910.db2.gz JWEGURIEQXZRKV-FVQBIDKESA-N 0 3 317.408 2.109 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C=C)CC2(CCOCC2)C1 ZINC001099586588 792252259 /nfs/dbraw/zinc/25/22/59/792252259.db2.gz CFFAUAGGRYJAOV-MRXNPFEDSA-N 0 3 318.461 2.209 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](F)CC)CC2(CCOCC2)C1 ZINC001099588602 792254430 /nfs/dbraw/zinc/25/44/30/792254430.db2.gz FKYZCGBECUFRFC-LSDHHAIUSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C[C@H]1O ZINC001099726674 792329601 /nfs/dbraw/zinc/32/96/01/792329601.db2.gz IWGORQWJJYKQHC-QZTJIDSGSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C)SC)CC1 ZINC001093358558 792339513 /nfs/dbraw/zinc/33/95/13/792339513.db2.gz DWGQQYYFMXPFCL-GDBMZVCRSA-N 0 3 320.502 2.464 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001093370955 792346417 /nfs/dbraw/zinc/34/64/17/792346417.db2.gz IDLOVDYGKRZIGL-KRWDZBQOSA-N 0 3 311.429 2.355 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001093375784 792347617 /nfs/dbraw/zinc/34/76/17/792347617.db2.gz CDTFVMPSPXVEJV-HZPDHXFCSA-N 0 3 306.425 2.461 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C[C@@H]1O ZINC001099855772 792383108 /nfs/dbraw/zinc/38/31/08/792383108.db2.gz MYSRYWNFZDZONW-MSOLQXFVSA-N 0 3 316.445 2.403 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@@H](O)C1 ZINC001100146021 792487318 /nfs/dbraw/zinc/48/73/18/792487318.db2.gz ULHKLHMRDDCBCO-HOTGVXAUSA-N 0 3 322.474 2.117 20 30 DEEDHN CCc1nc(C)c(CNC2CC(CNC(=O)C#CC(C)C)C2)o1 ZINC001100310348 792583624 /nfs/dbraw/zinc/58/36/24/792583624.db2.gz NLWUUZOWPWSGEI-UHFFFAOYSA-N 0 3 317.433 2.189 20 30 DEEDHN O=C(C#CC1CC1)NCC1CC(NCc2cc(F)ccc2F)C1 ZINC001100313963 792585484 /nfs/dbraw/zinc/58/54/84/792585484.db2.gz WVEWBEQAXRWWPA-UHFFFAOYSA-N 0 3 318.367 2.363 20 30 DEEDHN Cc1nocc1CNC1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001100317031 792588094 /nfs/dbraw/zinc/58/80/94/792588094.db2.gz AOURDABQZUYQAK-UHFFFAOYSA-N 0 3 303.406 2.017 20 30 DEEDHN CCc1nocc1CNC1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001100317202 792588548 /nfs/dbraw/zinc/58/85/48/792588548.db2.gz JGBFLYUTHNHRIW-UHFFFAOYSA-N 0 3 317.433 2.271 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001100334095 792596550 /nfs/dbraw/zinc/59/65/50/792596550.db2.gz SJNWKWPTNOTUCU-UHFFFAOYSA-N 0 3 319.836 2.350 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100567954 792723408 /nfs/dbraw/zinc/72/34/08/792723408.db2.gz KAIGWDNZEDFVHY-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(NCc2ccc(F)cn2)C1 ZINC001100591063 792737802 /nfs/dbraw/zinc/73/78/02/792737802.db2.gz LFYVQYAEKXQWTR-UHFFFAOYSA-N 0 3 317.408 2.399 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnoc3C(C)C)CCC[C@@H]12 ZINC001094551190 792996812 /nfs/dbraw/zinc/99/68/12/792996812.db2.gz ADBYOGWHHNSOES-CRAIPNDOSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3oc(CC)nc3C)CCC[C@@H]12 ZINC001094554866 792998416 /nfs/dbraw/zinc/99/84/16/792998416.db2.gz ALTMBTNNNGJYNG-RDTXWAMCSA-N 0 3 315.417 2.153 20 30 DEEDHN C=C(C)CN1CC[C@H](Oc2ccnc(CNC(=O)CC)c2)C1 ZINC001101085318 793010936 /nfs/dbraw/zinc/01/09/36/793010936.db2.gz IZPGLJISXLQYQF-INIZCTEOSA-N 0 3 303.406 2.137 20 30 DEEDHN C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001171674058 793166447 /nfs/dbraw/zinc/16/64/47/793166447.db2.gz HUBNDZOJRUGCGA-LLVKDONJSA-N 0 3 322.840 2.452 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@@H](NC(=O)C1CC1)c1nccn12 ZINC001101599645 793262578 /nfs/dbraw/zinc/26/25/78/793262578.db2.gz RXEOVAYWMNMGPM-DZGCQCFKSA-N 0 3 314.433 2.220 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CC2CCCCC2)[C@H](C)C1 ZINC001101706192 793331544 /nfs/dbraw/zinc/33/15/44/793331544.db2.gz POTBKUIHXPOAMU-SJLPKXTDSA-N 0 3 320.477 2.291 20 30 DEEDHN CC(C)N(C)C(=O)C1=NO[C@]2(CCN([C@H](C)CCCC#N)C2)C1 ZINC001172495769 793437661 /nfs/dbraw/zinc/43/76/61/793437661.db2.gz UWQLVCQHSGXHEF-RHSMWYFYSA-N 0 3 320.437 2.156 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC001172624787 793468681 /nfs/dbraw/zinc/46/86/81/793468681.db2.gz ZNEFCSUTZKXOKA-RRFJBIMHSA-N 0 3 324.421 2.095 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102263215 793549542 /nfs/dbraw/zinc/54/95/42/793549542.db2.gz YRQXYYCFRKGHCB-OWCLPIDISA-N 0 3 318.465 2.207 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC[C@H](O)C2)C[C@H]1C#N ZINC001172979598 793549595 /nfs/dbraw/zinc/54/95/95/793549595.db2.gz GMGZNTGEHFWEIK-ILXRZTDVSA-N 0 3 323.437 2.125 20 30 DEEDHN CCCC(C)(C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102299076 793563670 /nfs/dbraw/zinc/56/36/70/793563670.db2.gz KQSRCHIBWRGVHH-HZPDHXFCSA-N 0 3 308.466 2.147 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102328603 793575153 /nfs/dbraw/zinc/57/51/53/793575153.db2.gz QGJMNRLSAMXZHB-IIDMSEBBSA-N 0 3 318.465 2.207 20 30 DEEDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=N)c1ccc(F)cn1 ZINC001173219069 793635448 /nfs/dbraw/zinc/63/54/48/793635448.db2.gz WNYIBYRRNUGNIH-JTQLQIEISA-N 0 3 302.309 2.465 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3ncc(C)cn3)CC2)CC1 ZINC001173326343 793679432 /nfs/dbraw/zinc/67/94/32/793679432.db2.gz ZBHMAQJDDZNPFE-UHFFFAOYSA-N 0 3 316.449 2.421 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)no2)C1 ZINC001102660188 793694459 /nfs/dbraw/zinc/69/44/59/793694459.db2.gz QPTKIQJUMGKUAY-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1CN(C2CCC(C)(C#N)CC2)C[C@H]1O ZINC001173598574 793776579 /nfs/dbraw/zinc/77/65/79/793776579.db2.gz RBDIKZFUMXTYSS-YRTQGLMCSA-N 0 3 323.437 2.029 20 30 DEEDHN N#Cc1ccc2c(c1)CN([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173747460 793835528 /nfs/dbraw/zinc/83/55/28/793835528.db2.gz MZTKNZRPWQRDGB-DLBZAZTESA-N 0 3 308.389 2.087 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1cn(CC)nn1 ZINC001174681984 794039041 /nfs/dbraw/zinc/03/90/41/794039041.db2.gz HVQFLJUKPRFLEB-AWEZNQCLSA-N 0 3 321.469 2.275 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(C)CCOC2)C1 ZINC001103576172 794151108 /nfs/dbraw/zinc/15/11/08/794151108.db2.gz SEHLKIVWDYINOX-XPKDYRNWSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)COC)C1 ZINC001103591739 794153281 /nfs/dbraw/zinc/15/32/81/794153281.db2.gz MRLWYXYEOLAORZ-UMVBOHGHSA-N 0 3 316.873 2.486 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001110184619 794179866 /nfs/dbraw/zinc/17/98/66/794179866.db2.gz PVHDDSFLJRRRPF-FZKCQIBNSA-N 0 3 312.429 2.439 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)c1ccccc1)C2 ZINC001110192100 794320756 /nfs/dbraw/zinc/32/07/56/794320756.db2.gz WPUIBCKTXXUBNQ-SQNIBIBYSA-N 0 3 313.445 2.420 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COc1ccccc1F ZINC001175976684 794322959 /nfs/dbraw/zinc/32/29/59/794322959.db2.gz XPNOXJSLTKDNCY-UHFFFAOYSA-N 0 3 300.761 2.053 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001176141248 794355779 /nfs/dbraw/zinc/35/57/79/794355779.db2.gz OWGNCPKKXYLMID-UHFFFAOYSA-N 0 3 322.796 2.440 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104128333 794389482 /nfs/dbraw/zinc/38/94/82/794389482.db2.gz DZNXFCALSIUQIR-XNRPHZJLSA-N 0 3 314.857 2.140 20 30 DEEDHN C=CCCCN(CC)CC(=O)NC(=O)NCc1ccccc1 ZINC001176797691 794496613 /nfs/dbraw/zinc/49/66/13/794496613.db2.gz DBRKHPJUBNIWHL-UHFFFAOYSA-N 0 3 303.406 2.301 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC#Cc2ccccc2)C1 ZINC001111997985 794541894 /nfs/dbraw/zinc/54/18/94/794541894.db2.gz YXPPIJRLSCDRRS-FPOVZHCZSA-N 0 3 320.436 2.422 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCNCc1cccc(F)c1F ZINC001177269124 794628994 /nfs/dbraw/zinc/62/89/94/794628994.db2.gz FEICZIXWONJBQN-GFCCVEGCSA-N 0 3 312.360 2.152 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)Oc1ccccc1F ZINC001115121248 794683796 /nfs/dbraw/zinc/68/37/96/794683796.db2.gz NOKMZWNNXKQLMU-UICACZKSSA-N 0 3 318.392 2.216 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CSCC#N)CCCCC1 ZINC001115412884 794764295 /nfs/dbraw/zinc/76/42/95/794764295.db2.gz FZFKWKPEQOBNPO-UHFFFAOYSA-N 0 3 315.870 2.404 20 30 DEEDHN C=CCOCC[NH2+]CCCCCCNC(=O)c1ccccc1[O-] ZINC001177907275 794773850 /nfs/dbraw/zinc/77/38/50/794773850.db2.gz ZWGUEVVMLNGWQU-UHFFFAOYSA-N 0 3 320.433 2.475 20 30 DEEDHN CC[C@H](C(=O)N(C)C[C@@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001115785186 794919176 /nfs/dbraw/zinc/91/91/76/794919176.db2.gz BIWSBLFWQZIEHB-MLGOLLRUSA-N 0 3 320.412 2.296 20 30 DEEDHN C#CCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178590384 794947859 /nfs/dbraw/zinc/94/78/59/794947859.db2.gz CMFNPGOCKFROFQ-UHFFFAOYSA-N 0 3 304.393 2.457 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCC(=O)N(C)C(C)C)[C@@H]1C ZINC001179384368 795110976 /nfs/dbraw/zinc/11/09/76/795110976.db2.gz KPHXXYOGZPNWBM-PMPSAXMXSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCCC(=O)NCCCCCCNCc1cn(CC)nn1 ZINC001179426132 795116936 /nfs/dbraw/zinc/11/69/36/795116936.db2.gz QWJRIAUAONAOHB-UHFFFAOYSA-N 0 3 321.469 2.421 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001179994394 795216540 /nfs/dbraw/zinc/21/65/40/795216540.db2.gz MXXXFEBTBADOBV-HRCADAONSA-N 0 3 323.481 2.205 20 30 DEEDHN COCCC1(C(=O)NCCNCc2ccc(C#N)s2)CCC1 ZINC001149082225 795220987 /nfs/dbraw/zinc/22/09/87/795220987.db2.gz AUINDGSRUHIGNI-UHFFFAOYSA-N 0 3 321.446 2.032 20 30 DEEDHN C#CCN(C(=O)c1cccc2oc(C)nc21)C1CCN(C)CC1 ZINC001119909219 795372243 /nfs/dbraw/zinc/37/22/43/795372243.db2.gz ATAZOCOSLGPBQK-UHFFFAOYSA-N 0 3 311.385 2.306 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2nccnc2C)C1 ZINC001180846331 795374082 /nfs/dbraw/zinc/37/40/82/795374082.db2.gz IPUDZBBWZSPODE-RDTXWAMCSA-N 0 3 316.449 2.325 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@](C)(CNCc2nccs2)C1 ZINC001181460231 795475477 /nfs/dbraw/zinc/47/54/77/795475477.db2.gz HMHWTUWPRQBCDV-RHSMWYFYSA-N 0 3 319.474 2.377 20 30 DEEDHN O[C@H](CNCC#C[C@@H]1CCCCO1)COc1ccccc1Cl ZINC001120609193 795497728 /nfs/dbraw/zinc/49/77/28/795497728.db2.gz ALIRSTIIQZRVLO-CABCVRRESA-N 0 3 323.820 2.242 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cc(C)ncn3)C2)C1 ZINC001120819039 795536098 /nfs/dbraw/zinc/53/60/98/795536098.db2.gz JSBIDOGSSOACEB-UHFFFAOYSA-N 0 3 314.433 2.268 20 30 DEEDHN CCn1c(CCCC#N)nnc1N1CCN(C(C)(C)CC)CC1 ZINC001121846460 795694881 /nfs/dbraw/zinc/69/48/81/795694881.db2.gz YVMLGZPYPIXYMC-UHFFFAOYSA-N 0 3 318.469 2.455 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ncccc2C)CC1 ZINC001122111641 795726927 /nfs/dbraw/zinc/72/69/27/795726927.db2.gz CRZGUXDOMMRIDY-CQSZACIVSA-N 0 3 302.422 2.401 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N(C)C(=O)NC)cc1 ZINC001122130964 795729008 /nfs/dbraw/zinc/72/90/08/795729008.db2.gz AQGBYHNDJKALPN-CQSZACIVSA-N 0 3 304.394 2.084 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1sc(C)c(C)c1C(N)=O ZINC001183027632 795792682 /nfs/dbraw/zinc/79/26/82/795792682.db2.gz SYCSEVOTOFGWRY-UHFFFAOYSA-N 0 3 307.419 2.054 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1c(Cl)cnnc1Cl ZINC001183038779 795793902 /nfs/dbraw/zinc/79/39/02/795793902.db2.gz IVFAWAGEJDKTHM-UHFFFAOYSA-N 0 3 301.177 2.374 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2CCCCC2)ccc1F ZINC001122822341 795808386 /nfs/dbraw/zinc/80/83/86/795808386.db2.gz UTGUJUGTNUSFJQ-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)[C@H](C)C1 ZINC001184077012 795981110 /nfs/dbraw/zinc/98/11/10/795981110.db2.gz FWHJSVGLYAKGPT-GDBMZVCRSA-N 0 3 318.465 2.269 20 30 DEEDHN Cc1ncoc1CNC[C@@H]1CCN(C(=O)C#CC(C)C)C[C@H]1C ZINC001184371874 796056435 /nfs/dbraw/zinc/05/64/35/796056435.db2.gz POZPXJVBTYIEMF-ZBFHGGJFSA-N 0 3 317.433 2.217 20 30 DEEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)c(C#N)c1 ZINC001137699943 796127600 /nfs/dbraw/zinc/12/76/00/796127600.db2.gz ZSXCOLFWNCQSGV-OAHLLOKOSA-N 0 3 300.383 2.341 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001185070536 796182551 /nfs/dbraw/zinc/18/25/51/796182551.db2.gz GVEHTLTUKZDAMC-GOEBONIOSA-N 0 3 304.438 2.021 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@](C)(O)[C@H](C)C2)cc1OC ZINC001138344180 796201352 /nfs/dbraw/zinc/20/13/52/796201352.db2.gz ZVTBMDJGKXMTMF-KDOFPFPSSA-N 0 3 303.402 2.300 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001185256244 796223884 /nfs/dbraw/zinc/22/38/84/796223884.db2.gz FSEYAOWONAFEHC-CQSZACIVSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(CC)CC)C1 ZINC001185280026 796225538 /nfs/dbraw/zinc/22/55/38/796225538.db2.gz CLWMYCVXZMICOU-GOEBONIOSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](NCc2ocnc2C)C12CCC2 ZINC001202845566 796241013 /nfs/dbraw/zinc/24/10/13/796241013.db2.gz DHDBXJPPFDMPMJ-HZPDHXFCSA-N 0 3 315.417 2.304 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001185617084 796294416 /nfs/dbraw/zinc/29/44/16/796294416.db2.gz WHXZUDONMRQACR-GDBMZVCRSA-N 0 3 302.393 2.218 20 30 DEEDHN Cc1oncc1CN[C@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202876975 796301170 /nfs/dbraw/zinc/30/11/70/796301170.db2.gz KYJPSYSHWTUXJZ-HOTGVXAUSA-N 0 3 315.417 2.159 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001185933453 796340830 /nfs/dbraw/zinc/34/08/30/796340830.db2.gz YNTSJCDNLIQBSF-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1ccccc1CNC(=O)N1CCC2SC(=O)C=C2C1 ZINC001186109544 796362560 /nfs/dbraw/zinc/36/25/60/796362560.db2.gz NMFKQCWNOASHPZ-AWEZNQCLSA-N 0 3 318.398 2.179 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)n1ccnc1CC ZINC001139869215 796438640 /nfs/dbraw/zinc/43/86/40/796438640.db2.gz AYRGWNJODWVMFZ-HNNXBMFYSA-N 0 3 306.454 2.363 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001186783018 796442439 /nfs/dbraw/zinc/44/24/39/796442439.db2.gz IGWJOSPDPJUVHY-GOSISDBHSA-N 0 3 314.429 2.264 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccnc(O[C@@H](C)CC)c2)C1 ZINC001186941768 796460628 /nfs/dbraw/zinc/46/06/28/796460628.db2.gz QWDSLZBPQFMMMT-GOEBONIOSA-N 0 3 315.417 2.086 20 30 DEEDHN N#C[C@H]1C[C@H]1C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001186981363 796469384 /nfs/dbraw/zinc/46/93/84/796469384.db2.gz FPAQAAVFDCCPKO-QZTJIDSGSA-N 0 3 311.429 2.217 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccncn1)CC2 ZINC001140343955 796512062 /nfs/dbraw/zinc/51/20/62/796512062.db2.gz OJGPZHPGDGOKMS-KRWDZBQOSA-N 0 3 300.406 2.010 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2)C1 ZINC001187603977 796553536 /nfs/dbraw/zinc/55/35/36/796553536.db2.gz ZJJBKGUDILTUJG-MRXNPFEDSA-N 0 3 300.402 2.301 20 30 DEEDHN COc1cc(O)cc(OC)c1CN1CCC2SC(=O)C=C2C1 ZINC001140768908 796570067 /nfs/dbraw/zinc/57/00/67/796570067.db2.gz PGFHLULAXVCITA-OAHLLOKOSA-N 0 3 321.398 2.184 20 30 DEEDHN CC(C)(O)CCN1CCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140814913 796578079 /nfs/dbraw/zinc/57/80/79/796578079.db2.gz UIVVMBILSMRSFM-UHFFFAOYSA-N 0 3 321.852 2.490 20 30 DEEDHN O=C1C=C2CN(Cc3ccc4c(c3)OCCO4)CCC2S1 ZINC001141037280 796623497 /nfs/dbraw/zinc/62/34/97/796623497.db2.gz KHIXJJYKCSVRKJ-HNNXBMFYSA-N 0 3 303.383 2.232 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001188310298 796656421 /nfs/dbraw/zinc/65/64/21/796656421.db2.gz RZIHMLWQTNQBNL-TZMCWYRMSA-N 0 3 323.824 2.017 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001188301321 796660257 /nfs/dbraw/zinc/66/02/57/796660257.db2.gz AZAWUPQXLPTDNE-GOEBONIOSA-N 0 3 320.408 2.416 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1OC(F)F ZINC000838624250 796671693 /nfs/dbraw/zinc/67/16/93/796671693.db2.gz OJFLANUUKMWGSZ-UHFFFAOYSA-N 0 3 311.332 2.365 20 30 DEEDHN CSc1nc(CN2CCC3SC(=O)C=C3C2)ccc1C#N ZINC001141934130 796699735 /nfs/dbraw/zinc/69/97/35/796699735.db2.gz FFFXTIHCVOYIOJ-ZDUSSCGKSA-N 0 3 317.439 2.449 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001189041677 796758822 /nfs/dbraw/zinc/75/88/22/796758822.db2.gz VCFVOEXRJYGMIE-ZWKOTPCHSA-N 0 3 318.461 2.468 20 30 DEEDHN CCCOCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189231878 796787388 /nfs/dbraw/zinc/78/73/88/796787388.db2.gz MISZXFIMBNGQTN-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)CC(C)C)[C@@H]2C1 ZINC001189559712 796845662 /nfs/dbraw/zinc/84/56/62/796845662.db2.gz ALLXSLLNJSZXIJ-IXDOHACOSA-N 0 3 308.466 2.404 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001149772859 796894034 /nfs/dbraw/zinc/89/40/34/796894034.db2.gz SHCAQDMUUZYXQY-ZDUSSCGKSA-N 0 3 320.836 2.332 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(c3ccccc3)CC2)cc1 ZINC001150096746 796920391 /nfs/dbraw/zinc/92/03/91/796920391.db2.gz IMZPNAACVZSFHD-UHFFFAOYSA-N 0 3 319.408 2.496 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150159576 796923920 /nfs/dbraw/zinc/92/39/20/796923920.db2.gz KPIOBCVSMVLWNQ-GJZGRUSLSA-N 0 3 300.418 2.155 20 30 DEEDHN COc1ccc(CN(C)[C@H]2CCN(C(=O)C#CC(C)C)C2)cc1 ZINC001190046766 796925689 /nfs/dbraw/zinc/92/56/89/796925689.db2.gz KZIATOOTEKVJCW-KRWDZBQOSA-N 0 3 314.429 2.387 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001150572758 796955267 /nfs/dbraw/zinc/95/52/67/796955267.db2.gz UGOHKMUKLJILMT-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN COCc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC001150636281 796963429 /nfs/dbraw/zinc/96/34/29/796963429.db2.gz VGXRUQAAYRYHKT-UHFFFAOYSA-N 0 3 323.396 2.224 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCc2ccccc2)C1 ZINC001150647021 796965236 /nfs/dbraw/zinc/96/52/36/796965236.db2.gz VQWXPQSEKGKNAG-SFHVURJKSA-N 0 3 316.445 2.402 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001150751985 796974910 /nfs/dbraw/zinc/97/49/10/796974910.db2.gz KLWDBCDKMFUCBS-HKUYNNGSSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001190397159 796992000 /nfs/dbraw/zinc/99/20/00/796992000.db2.gz JCCYBFMVFHSIPV-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC001190666307 797044361 /nfs/dbraw/zinc/04/43/61/797044361.db2.gz MPOYENHWZMANLK-INIZCTEOSA-N 0 3 322.474 2.416 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C(F)F ZINC001151441417 797046442 /nfs/dbraw/zinc/04/64/42/797046442.db2.gz IOILNBRMWHAHDN-SNVBAGLBSA-N 0 3 313.323 2.289 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 ZINC001190880119 797100872 /nfs/dbraw/zinc/10/08/72/797100872.db2.gz AIVDKXDADHMHLP-HZPDHXFCSA-N 0 3 306.406 2.109 20 30 DEEDHN Cc1nsc(C)c1C(=O)NCCNCc1ccc(C#N)s1 ZINC001152707300 797224646 /nfs/dbraw/zinc/22/46/46/797224646.db2.gz WTZZIWNUMQBCJP-UHFFFAOYSA-N 0 3 320.443 2.213 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2occ3c2CCC3)C1 ZINC001191551380 797225690 /nfs/dbraw/zinc/22/56/90/797225690.db2.gz KZTCPRAYUREBQW-HNNXBMFYSA-N 0 3 318.417 2.117 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001153134293 797290321 /nfs/dbraw/zinc/29/03/21/797290321.db2.gz BGFGIBPCYMGKBT-OAHLLOKOSA-N 0 3 319.449 2.310 20 30 DEEDHN CC(C)CCO[C@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001153161019 797293497 /nfs/dbraw/zinc/29/34/97/797293497.db2.gz VPMPBWSWXIVPGJ-CYBMUJFWSA-N 0 3 323.462 2.277 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cscc2C)C1 ZINC001192046773 797303150 /nfs/dbraw/zinc/30/31/50/797303150.db2.gz WXUJHWGAYYQANR-NWANDNLSSA-N 0 3 308.447 2.186 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001153362806 797330056 /nfs/dbraw/zinc/33/00/56/797330056.db2.gz YMUDPNNTEFELCP-CHWSQXEVSA-N 0 3 323.462 2.314 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001153755465 797387379 /nfs/dbraw/zinc/38/73/79/797387379.db2.gz YLTBBVFLYHTFSU-CQSZACIVSA-N 0 3 310.401 2.150 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC001192437328 797389738 /nfs/dbraw/zinc/38/97/38/797389738.db2.gz AHHNPHRSYQLLQR-HZPDHXFCSA-N 0 3 321.465 2.079 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001192495919 797394944 /nfs/dbraw/zinc/39/49/44/797394944.db2.gz YJLPOHMJFYHPKP-VEUZHWNKSA-N 0 3 319.449 2.160 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC001192482122 797402514 /nfs/dbraw/zinc/40/25/14/797402514.db2.gz XGFOKPFNDRLEBS-LBPRGKRZSA-N 0 3 320.355 2.064 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001154029566 797447540 /nfs/dbraw/zinc/44/75/40/797447540.db2.gz PBDNMKBUVNQLCK-KLHKWILBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nc2cnccc2s1 ZINC001154269137 797500410 /nfs/dbraw/zinc/50/04/10/797500410.db2.gz BOYVXWVQLCLSRT-GFCCVEGCSA-N 0 3 316.430 2.155 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001193095831 797508673 /nfs/dbraw/zinc/50/86/73/797508673.db2.gz WMIDXSOBCVQOAX-ZJIFWQFVSA-N 0 3 308.466 2.186 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc2c(c1)CCO2 ZINC001154528657 797553983 /nfs/dbraw/zinc/55/39/83/797553983.db2.gz BSZCYGHHZDPDAX-OAHLLOKOSA-N 0 3 314.429 2.014 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001154757598 797605738 /nfs/dbraw/zinc/60/57/38/797605738.db2.gz RMBQOGOORPFNJQ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001154809557 797615944 /nfs/dbraw/zinc/61/59/44/797615944.db2.gz YACZTFVQMSGVFS-UHFFFAOYSA-N 0 3 321.852 2.497 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCc1ccn(C(C)C)n1 ZINC001155456348 797761760 /nfs/dbraw/zinc/76/17/60/797761760.db2.gz UBSCEDXUEJWXKP-OAHLLOKOSA-N 0 3 322.453 2.041 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001194725879 797770023 /nfs/dbraw/zinc/77/00/23/797770023.db2.gz OEWLUQIOPYJGBE-UHFFFAOYSA-N 0 3 319.449 2.438 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1cc(C)ccc1C ZINC001155593948 797798637 /nfs/dbraw/zinc/79/86/37/797798637.db2.gz UFEHXKBPDHQWMS-UHFFFAOYSA-N 0 3 317.433 2.304 20 30 DEEDHN CSC[C@@H](C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155782744 797845763 /nfs/dbraw/zinc/84/57/63/797845763.db2.gz LYABTNJYCQGFKN-GFCCVEGCSA-N 0 3 323.437 2.292 20 30 DEEDHN CSC[C@H](C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001155783034 797846474 /nfs/dbraw/zinc/84/64/74/797846474.db2.gz OFYKYVSCMINABG-LBPRGKRZSA-N 0 3 323.437 2.292 20 30 DEEDHN Cc1ccc2sc(CNCCCNC(=O)[C@H](C)C#N)nc2c1 ZINC001155848383 797865601 /nfs/dbraw/zinc/86/56/01/797865601.db2.gz KNYWTZBSHBMAGT-GFCCVEGCSA-N 0 3 316.430 2.360 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ncoc1-c1cccs1 ZINC001155884000 797874068 /nfs/dbraw/zinc/87/40/68/797874068.db2.gz WGPYBCMTYXVIMB-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC001155914705 797880272 /nfs/dbraw/zinc/88/02/72/797880272.db2.gz LOHUZMNCBVYMFW-MOLHFAFQSA-N 0 3 303.819 2.022 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001195467452 797908538 /nfs/dbraw/zinc/90/85/38/797908538.db2.gz NZYJISRMHCKFMR-QZTJIDSGSA-N 0 3 320.477 2.312 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001156070882 797918784 /nfs/dbraw/zinc/91/87/84/797918784.db2.gz DZLIJLFVCFNFSO-CQSZACIVSA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(CCCC)nc1C ZINC001156288339 797967059 /nfs/dbraw/zinc/96/70/59/797967059.db2.gz DJFAPSUSOSHFCL-OAHLLOKOSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H](C)N(CC)CC#CC ZINC001156306981 797971307 /nfs/dbraw/zinc/97/13/07/797971307.db2.gz YLZWSTLWGAGCTF-OAHLLOKOSA-N 0 3 315.417 2.110 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cn(C3CCC3)nn2)CC1 ZINC001195874141 797979043 /nfs/dbraw/zinc/97/90/43/797979043.db2.gz RLLCNTBJXYSARB-UHFFFAOYSA-N 0 3 317.437 2.117 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)C1CC(F)(F)C1 ZINC001156418202 797995517 /nfs/dbraw/zinc/99/55/17/797995517.db2.gz IBMKWBLGOKHBME-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCCN(CCCOCC)CC1 ZINC001196170992 798016129 /nfs/dbraw/zinc/01/61/29/798016129.db2.gz FZXWCTKIZYBJAA-UHFFFAOYSA-N 0 3 319.449 2.249 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001196616991 798083915 /nfs/dbraw/zinc/08/39/15/798083915.db2.gz QDNYYNSJSWJRHV-GVDBMIGSSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1csnc1C ZINC001156816827 798087018 /nfs/dbraw/zinc/08/70/18/798087018.db2.gz PCJPNOWXZPIXAZ-UHFFFAOYSA-N 0 3 318.240 2.070 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001196668200 798089456 /nfs/dbraw/zinc/08/94/56/798089456.db2.gz YVWQQWHGLDCJAI-CGTJXYLNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cn(CC)nn2)CC1 ZINC001197613989 798209729 /nfs/dbraw/zinc/20/97/29/798209729.db2.gz DQCGSGWOZKCYLB-UHFFFAOYSA-N 0 3 319.453 2.192 20 30 DEEDHN COc1cccc(CNCCCNC(=O)C#CC2CC2)c1Cl ZINC001157683028 798257186 /nfs/dbraw/zinc/25/71/86/798257186.db2.gz WWEPJIVXXMHKGM-UHFFFAOYSA-N 0 3 320.820 2.358 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1cnn(C)c1C ZINC001158005196 798326123 /nfs/dbraw/zinc/32/61/23/798326123.db2.gz HSAFGNDROALVIZ-QGZVFWFLSA-N 0 3 318.465 2.160 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ncc(OC)cc1F ZINC001158050127 798333217 /nfs/dbraw/zinc/33/32/17/798333217.db2.gz JASFBZCXWXDEJB-CYBMUJFWSA-N 0 3 321.396 2.342 20 30 DEEDHN C=CCCCN[C@H](CNC(=O)CCOC)c1ccccc1OC ZINC001198453631 798336217 /nfs/dbraw/zinc/33/62/17/798336217.db2.gz HWRZGLUEAVZUHX-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C1(CCOCC)CCC1 ZINC001158116185 798345997 /nfs/dbraw/zinc/34/59/97/798345997.db2.gz KGGVLKGNQZOOFH-UHFFFAOYSA-N 0 3 302.846 2.432 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001158234430 798365451 /nfs/dbraw/zinc/36/54/51/798365451.db2.gz QHOYAQYLRTXJKZ-CYBMUJFWSA-N 0 3 302.846 2.430 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)[C@@H](C)C#N)NCC1CC1 ZINC001198616792 798368256 /nfs/dbraw/zinc/36/82/56/798368256.db2.gz JDXSHBPOYCLKBK-WFASDCNBSA-N 0 3 301.390 2.012 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](NCC)c2ccccc2OC)nc1 ZINC001198969206 798421500 /nfs/dbraw/zinc/42/15/00/798421500.db2.gz SLYLTAFCFNUOCA-KRWDZBQOSA-N 0 3 323.396 2.152 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc2cccnn21 ZINC001158559256 798428398 /nfs/dbraw/zinc/42/83/98/798428398.db2.gz FIUSOYSCZJAMJZ-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(CCC)C[C@H]1O)c1ccccc1 ZINC001199566456 798500082 /nfs/dbraw/zinc/50/00/82/798500082.db2.gz ATBHVWUYQRRONZ-RCCFBDPRSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC(NCc2nccs2)CC1 ZINC001199660070 798515870 /nfs/dbraw/zinc/51/58/70/798515870.db2.gz ZJCBSPSZNHMNDC-CYBMUJFWSA-N 0 3 323.462 2.205 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCCNCc1c(C)noc1C)OCC ZINC001159143355 798528477 /nfs/dbraw/zinc/52/84/77/798528477.db2.gz BSFQLZNWJKGCSK-MRXNPFEDSA-N 0 3 323.437 2.259 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCCN[C@@H](C)c1cnccn1)OCC ZINC001159148315 798529118 /nfs/dbraw/zinc/52/91/18/798529118.db2.gz CRTWKPZHOXVJRU-HOCLYGCPSA-N 0 3 320.437 2.005 20 30 DEEDHN C=CCCC(=O)NCCC1=CCN(CCc2cnn(C)c2)CC1 ZINC001159538724 798579246 /nfs/dbraw/zinc/57/92/46/798579246.db2.gz JGKPYUUNWVLRDH-UHFFFAOYSA-N 0 3 316.449 2.067 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2cnc(C)o2)CC1 ZINC001200155292 798588815 /nfs/dbraw/zinc/58/88/15/798588815.db2.gz DYUXRUVIWRBAKU-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN C=C[C@@H]1C[C@@]1(Nc1cc(Cl)nc2c1CCNC2)C(=O)OCC ZINC001159805095 798612929 /nfs/dbraw/zinc/61/29/29/798612929.db2.gz HVKPEVJVXRZIPI-HWPZZCPQSA-N 0 3 321.808 2.300 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2=CCCCCC2)CCCO1 ZINC001200361831 798619920 /nfs/dbraw/zinc/61/99/20/798619920.db2.gz YRZAAKXTUKFNNX-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN CCn1ccc(CNC2CCN(C(=O)C#CC(C)(C)C)CC2)n1 ZINC001200473158 798644148 /nfs/dbraw/zinc/64/41/48/798644148.db2.gz YBGFVVKUSMXXQV-UHFFFAOYSA-N 0 3 316.449 2.033 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(C)=C(C)C2)CCCO1 ZINC001200574228 798651504 /nfs/dbraw/zinc/65/15/04/798651504.db2.gz NQAKDMATYAWQRQ-QZTJIDSGSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001160314475 798674226 /nfs/dbraw/zinc/67/42/26/798674226.db2.gz NHSOOBOXAOYPEQ-DLBZAZTESA-N 0 3 306.450 2.372 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccncc2CC)CC1 ZINC001160559669 798705566 /nfs/dbraw/zinc/70/55/66/798705566.db2.gz NTPSALLMZNRASK-UHFFFAOYSA-N 0 3 311.429 2.419 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@@H](CNC/C=C/Cl)C1 ZINC001201284214 798728323 /nfs/dbraw/zinc/72/83/23/798728323.db2.gz QTFBZIWIGIHBJM-GPAKFWEMSA-N 0 3 300.830 2.302 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766538 798737219 /nfs/dbraw/zinc/73/72/19/798737219.db2.gz RPJKDJKOOBLHHU-ZDEQEGDKSA-N 0 3 320.355 2.381 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001160768144 798737353 /nfs/dbraw/zinc/73/73/53/798737353.db2.gz QOWSKOXCNYQMLN-HNNXBMFYSA-N 0 3 316.449 2.238 20 30 DEEDHN C#Cc1ccc(C(=O)NCCC2=CCN(CC#CC)CC2)cc1 ZINC001160835693 798748222 /nfs/dbraw/zinc/74/82/22/798748222.db2.gz HKJDIMRIWGZHHF-UHFFFAOYSA-N 0 3 306.409 2.443 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1ncc2ncnc(Cl)c2n1 ZINC001160954040 798770177 /nfs/dbraw/zinc/77/01/77/798770177.db2.gz OGQDOQMXMJLHCI-JTQLQIEISA-N 0 3 304.785 2.136 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001161043715 798786101 /nfs/dbraw/zinc/78/61/01/798786101.db2.gz GLZAGRZFUFQLRY-MSOLQXFVSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)CCCO1 ZINC001201659046 798786183 /nfs/dbraw/zinc/78/61/83/798786183.db2.gz LDALNIRBPCNLHA-OAHLLOKOSA-N 0 3 322.355 2.078 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccoc2CCC)CCCO1 ZINC001201855144 798801929 /nfs/dbraw/zinc/80/19/29/798801929.db2.gz AYSPPBUDVGZVJN-HNNXBMFYSA-N 0 3 318.417 2.076 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C(C)(C)CC(C)C)CCCO1 ZINC001201824102 798802560 /nfs/dbraw/zinc/80/25/60/798802560.db2.gz PIVOIUFERSPMOV-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](C)C2CCCC2)CCCO1 ZINC001201822447 798802897 /nfs/dbraw/zinc/80/28/97/798802897.db2.gz APCHIZJFYYLSJW-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ocnc2CC)CC1 ZINC001161181440 798806632 /nfs/dbraw/zinc/80/66/32/798806632.db2.gz NFUJIPNFFKKOMU-UHFFFAOYSA-N 0 3 301.390 2.012 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2(C3CCCCC3)CC2)CCCO1 ZINC001201952408 798814322 /nfs/dbraw/zinc/81/43/22/798814322.db2.gz KIFKDOWVKQQKFZ-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NCc2snnc2C)CC1 ZINC001202084625 798824945 /nfs/dbraw/zinc/82/49/45/798824945.db2.gz GYNKPMCPHZWRRT-RYUDHWBXSA-N 0 3 322.478 2.385 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2CC(C(C)(C)C)C2)CCCO1 ZINC001202182346 798837094 /nfs/dbraw/zinc/83/70/94/798837094.db2.gz CMIFOYHLRIHCNV-OFLPRAFFSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](OC)[C@H](C)CC ZINC001161377945 798839745 /nfs/dbraw/zinc/83/97/45/798839745.db2.gz HNQSFJFWRRPKQG-ZYHUDNBSSA-N 0 3 321.259 2.052 20 30 DEEDHN O=C(N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2)C1CC1 ZINC001202279540 798855733 /nfs/dbraw/zinc/85/57/33/798855733.db2.gz KEGHXXIXXUAPBL-ZWKOTPCHSA-N 0 3 308.425 2.465 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cccnc2N(C)C)CC1 ZINC001161862793 798952019 /nfs/dbraw/zinc/95/20/19/798952019.db2.gz KCJOKJQPDOZHMR-UHFFFAOYSA-N 0 3 314.433 2.086 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCC2CCCC2)(COC)CC1 ZINC001162077375 799006619 /nfs/dbraw/zinc/00/66/19/799006619.db2.gz NWKHXUJHWFDABH-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC(C)(C)C=C)(COC)CC1 ZINC001162288427 799051658 /nfs/dbraw/zinc/05/16/58/799051658.db2.gz POVGRBFGELTKPV-UHFFFAOYSA-N 0 3 306.450 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(COC)CCN(CC#CC)CC1 ZINC001162402044 799078869 /nfs/dbraw/zinc/07/88/69/799078869.db2.gz ZUFZWOBPECIXDT-UHFFFAOYSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)[C@@H](C)CC)(COC)CC1 ZINC001162557274 799116178 /nfs/dbraw/zinc/11/61/78/799116178.db2.gz CIWJCZFBJURMDY-HOTGVXAUSA-N 0 3 308.466 2.147 20 30 DEEDHN C=CCN1C[C@@H]2C(NC(=O)C/C=C/c3ccccc3F)[C@@H]2C1 ZINC001114455747 799124649 /nfs/dbraw/zinc/12/46/49/799124649.db2.gz IKPUVYJCKCEWOL-AJLSRIOWSA-N 0 3 300.377 2.461 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1cccc(C)n1 ZINC001162707598 799153237 /nfs/dbraw/zinc/15/32/37/799153237.db2.gz WLRSXVDZNNYVDX-UHFFFAOYSA-N 0 3 321.424 2.298 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)C1(CCF)CC1 ZINC001162871143 799192696 /nfs/dbraw/zinc/19/26/96/799192696.db2.gz IYUKFXWJFSRUOC-UHFFFAOYSA-N 0 3 316.420 2.420 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C12CCC2 ZINC001202616250 799288226 /nfs/dbraw/zinc/28/82/26/799288226.db2.gz DZTLXPSZIXZDKY-HOTGVXAUSA-N 0 3 314.433 2.268 20 30 DEEDHN N#Cc1ccc(Cl)nc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163642318 799393365 /nfs/dbraw/zinc/39/33/65/799393365.db2.gz AAHVTJMEFLOLKB-SWLSCSKDSA-N 0 3 306.797 2.320 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OCC)C1CCCC1)C2 ZINC001110866225 799517305 /nfs/dbraw/zinc/51/73/05/799517305.db2.gz VGGIRNGWNQRUPZ-ZJPYXAASSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCC(=O)Nc1ccccc1 ZINC001164213001 799541095 /nfs/dbraw/zinc/54/10/95/799541095.db2.gz BLDOKHMINZZKDI-HUUCEWRRSA-N 0 3 317.433 2.179 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)c2ccnn2C)CC1 ZINC001164566135 799623722 /nfs/dbraw/zinc/62/37/22/799623722.db2.gz JSOAJIGYLWALGG-CYBMUJFWSA-N 0 3 324.856 2.152 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)[C@@H]2CC[C@@H](F)C2)c(F)c1 ZINC001164630323 799635992 /nfs/dbraw/zinc/63/59/92/799635992.db2.gz ASJBQGRHLRGWOU-UKRRQHHQSA-N 0 3 321.371 2.431 20 30 DEEDHN N#Cc1cc(C(F)(F)n2ncc3c2CCNC3)cc(Cl)n1 ZINC001165218280 799675937 /nfs/dbraw/zinc/67/59/37/799675937.db2.gz AHWZNOKRXGPJQG-UHFFFAOYSA-N 0 3 309.707 2.046 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2ccn(CC)n2)CC1 ZINC001165922067 799796971 /nfs/dbraw/zinc/79/69/71/799796971.db2.gz ZRQQQTBEYVTZHO-UHFFFAOYSA-N 0 3 304.438 2.245 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)CC1)C2 ZINC001110982082 799809510 /nfs/dbraw/zinc/80/95/10/799809510.db2.gz HHFLARMRKSIQAP-YWWDTZIBSA-N 0 3 324.440 2.439 20 30 DEEDHN CC#CCN1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932792662 799935128 /nfs/dbraw/zinc/93/51/28/799935128.db2.gz JJHSCKSUBJJCEL-UHFFFAOYSA-N 0 3 308.422 2.110 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2ccon2)CCN1Cc1ccc(C#N)cc1 ZINC000947089766 799939418 /nfs/dbraw/zinc/93/94/18/799939418.db2.gz PBKBQJQDUWJYSP-CZUORRHYSA-N 0 3 324.384 2.329 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@H](NCC(=C)Cl)C12CCC2 ZINC001203814188 800126241 /nfs/dbraw/zinc/12/62/41/800126241.db2.gz HSLGABMXLZCMFN-KBPBESRZSA-N 0 3 312.841 2.349 20 30 DEEDHN CN(Cc1cc(C#N)cs1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000933770174 800182674 /nfs/dbraw/zinc/18/26/74/800182674.db2.gz KYEZWGBYBQACKR-CQSZACIVSA-N 0 3 319.430 2.123 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001204799285 800258896 /nfs/dbraw/zinc/25/88/96/800258896.db2.gz VUDOMGOTOXHJED-GWHHBTOMSA-N 0 3 304.221 2.293 20 30 DEEDHN N#Cc1cccc(OCCN[C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000934217841 800294168 /nfs/dbraw/zinc/29/41/68/800294168.db2.gz URWHRUZGRCZISN-DNVCBOLYSA-N 0 3 324.380 2.269 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001205425188 800355758 /nfs/dbraw/zinc/35/57/58/800355758.db2.gz WZKKGFKJYQKXMI-XDKFSHSGSA-N 0 3 314.404 2.389 20 30 DEEDHN C[C@@H](c1ccccc1)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206096247 800472685 /nfs/dbraw/zinc/47/26/85/800472685.db2.gz OITTYVJUWBLAHS-IJEWVQPXSA-N 0 3 317.458 2.441 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2ccc(F)cc2F)C1 ZINC001207337353 800732710 /nfs/dbraw/zinc/73/27/10/800732710.db2.gz OYZMHJCQTNEDDJ-IUODEOHRSA-N 0 3 324.371 2.356 20 30 DEEDHN Cc1ocnc1C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207557038 800777802 /nfs/dbraw/zinc/77/78/02/800777802.db2.gz XSJMBCOGNBSFLW-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN CC(C)OCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207585642 800784844 /nfs/dbraw/zinc/78/48/44/800784844.db2.gz MNTLSGGGVPZDBK-CYBMUJFWSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001207659183 800799913 /nfs/dbraw/zinc/79/99/13/800799913.db2.gz MGFBAYXOUIPGFO-ZACQAIPSSA-N 0 3 318.465 2.483 20 30 DEEDHN CCOCCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207664169 800801674 /nfs/dbraw/zinc/80/16/74/800801674.db2.gz UMYFHZZADKBKMH-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(S)CC2)C1 ZINC001208101437 800912364 /nfs/dbraw/zinc/91/23/64/800912364.db2.gz RTRYFRBBWBHDLK-LBPRGKRZSA-N 0 3 316.467 2.017 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2(C(F)F)CCC2)C1 ZINC001208412758 800978178 /nfs/dbraw/zinc/97/81/78/800978178.db2.gz KYUQCNYQIOYQJW-CHWSQXEVSA-N 0 3 316.392 2.061 20 30 DEEDHN COC[C@H]1CN(CCCc2ccc(C#N)cc2)Cc2cn(C)nc21 ZINC001208859248 801079746 /nfs/dbraw/zinc/07/97/46/801079746.db2.gz OECIHGCFRZJBMD-GOSISDBHSA-N 0 3 324.428 2.470 20 30 DEEDHN CC(C)(O)CCN1CCN(CCCc2cccc(C#N)c2)CC1 ZINC001208853976 801080174 /nfs/dbraw/zinc/08/01/74/801080174.db2.gz DXWAWUUHEXSMCJ-UHFFFAOYSA-N 0 3 315.461 2.269 20 30 DEEDHN COCCCCN1CCN(CCc2ccc(C#N)cc2)CC1 ZINC001208928404 801094593 /nfs/dbraw/zinc/09/45/93/801094593.db2.gz HGVOPRNDMJJDDT-UHFFFAOYSA-N 0 3 301.434 2.145 20 30 DEEDHN N#Cc1ccc(CCN2CC[C@H](Oc3ncc(F)cn3)C2)cc1 ZINC001208928411 801095464 /nfs/dbraw/zinc/09/54/64/801095464.db2.gz HMHZWEBLVMNBJK-INIZCTEOSA-N 0 3 312.348 2.183 20 30 DEEDHN CC(C)(C)OC(=O)N1CCOC[C@H]1CN1CCC[C@@H](C#N)CC1 ZINC001208982657 801106542 /nfs/dbraw/zinc/10/65/42/801106542.db2.gz SIKAEZSFHFYPSF-HUUCEWRRSA-N 0 3 323.437 2.248 20 30 DEEDHN C#CCCCCCC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC001209004555 801110853 /nfs/dbraw/zinc/11/08/53/801110853.db2.gz PIYUROCXDNVLPK-MRXNPFEDSA-N 0 3 316.449 2.084 20 30 DEEDHN C=CCN(CCN1CCC(n2ccnc2)CC1)C(=O)OCC ZINC001209021385 801112429 /nfs/dbraw/zinc/11/24/29/801112429.db2.gz ZQRXJMGECBRUDV-UHFFFAOYSA-N 0 3 306.410 2.165 20 30 DEEDHN C=CCN(CCN1CCC(c2ccn(C)n2)CC1)C(=O)OCC ZINC001209020344 801112462 /nfs/dbraw/zinc/11/24/62/801112462.db2.gz HBNYNONHDBJRPE-UHFFFAOYSA-N 0 3 320.437 2.244 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001209146161 801135552 /nfs/dbraw/zinc/13/55/52/801135552.db2.gz LFQYBAPTTLNSGE-LSDHHAIUSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC001209147343 801136341 /nfs/dbraw/zinc/13/63/41/801136341.db2.gz WCZFYDNVDRXRKW-HUUCEWRRSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCN1C[C@@H](C)[C@H](NC(=O)c2scnc2COC)C1 ZINC001209292224 801164938 /nfs/dbraw/zinc/16/49/38/801164938.db2.gz OZCAROUXRXLKLC-CHWSQXEVSA-N 0 3 323.462 2.306 20 30 DEEDHN C#CCN1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209356829 801175333 /nfs/dbraw/zinc/17/53/33/801175333.db2.gz BWZPJUZKXDWZEK-UHFFFAOYSA-N 0 3 323.481 2.322 20 30 DEEDHN Cc1nocc1C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209376013 801179164 /nfs/dbraw/zinc/17/91/64/801179164.db2.gz ZIEYEVAGCXQOOZ-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2(F)CCCCC2)CC1 ZINC001229878586 801331783 /nfs/dbraw/zinc/33/17/83/801331783.db2.gz IUOFBGQSAVDJES-UHFFFAOYSA-N 0 3 312.429 2.442 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cncn1C ZINC001230010104 801347586 /nfs/dbraw/zinc/34/75/86/801347586.db2.gz FVLKNQDWPBMKDO-HUUCEWRRSA-N 0 3 324.856 2.122 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001210328693 801377559 /nfs/dbraw/zinc/37/75/59/801377559.db2.gz QFJXHWPNHPIFSP-YJBOKZPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@@H]1CC(=O)C=C(Nc2cnccc2N2CCN(C)CC2)C1 ZINC001210772067 801461757 /nfs/dbraw/zinc/46/17/57/801461757.db2.gz WPAARINETLPLOA-ZDUSSCGKSA-N 0 3 300.406 2.128 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCOc2ccccc2)C1 ZINC001210992535 801496909 /nfs/dbraw/zinc/49/69/09/801496909.db2.gz LUVQRGTZCGFMTG-NVXWUHKLSA-N 0 3 302.418 2.468 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CN(CCOC)C[C@H]1C)c1ccccc1 ZINC001211199765 801529595 /nfs/dbraw/zinc/52/95/95/801529595.db2.gz BPJFXCFORWTVCC-BPQIPLTHSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213451643 801610997 /nfs/dbraw/zinc/61/09/97/801610997.db2.gz HLTZAEKOOWRSBA-YNEHKIRRSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001231240544 801614997 /nfs/dbraw/zinc/61/49/97/801614997.db2.gz LYSOPPIOYSZOLO-KBPBESRZSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001213961736 801658186 /nfs/dbraw/zinc/65/81/86/801658186.db2.gz OWTTWYVDCKHEBY-STXRGCSISA-N 0 3 324.465 2.139 20 30 DEEDHN OC[C@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@H]1O ZINC001231577674 801689954 /nfs/dbraw/zinc/68/99/54/801689954.db2.gz ZJABXBSTXPSSDK-NHCUHLMSSA-N 0 3 321.420 2.262 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001214331791 801704460 /nfs/dbraw/zinc/70/44/60/801704460.db2.gz RZZQIZYKLTXKGN-MLGOLLRUSA-N 0 3 324.371 2.104 20 30 DEEDHN COCCN(Cc1ccc(C#N)s1)C1CCN(C(C)=O)CC1 ZINC001232844113 801970766 /nfs/dbraw/zinc/97/07/66/801970766.db2.gz QFFGTDAUQYYUDO-UHFFFAOYSA-N 0 3 321.446 2.079 20 30 DEEDHN COC(=O)[C@H]1CN(Cc2cccc(C#N)n2)C[C@@H]1c1ccccc1 ZINC001232927022 801985846 /nfs/dbraw/zinc/98/58/46/801985846.db2.gz MXGYKYCKVHVCHR-MSOLQXFVSA-N 0 3 321.380 2.342 20 30 DEEDHN N#Cc1cc[nH]c1CN1CCN2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC001233044659 802013729 /nfs/dbraw/zinc/01/37/29/802013729.db2.gz MXXFJQKQMSHAQT-AEFFLSMTSA-N 0 3 322.412 2.224 20 30 DEEDHN C#C[C@@H](COc1cccc(Cl)c1)OC[C@H]1COC(C)(C)N1 ZINC001217928082 802121428 /nfs/dbraw/zinc/12/14/28/802121428.db2.gz NBMJEVRUJNWHQE-KBPBESRZSA-N 0 3 309.793 2.462 20 30 DEEDHN C#C[C@@H]1CCCN(Cc2cccn3cc(C(=O)OCC)nc23)C1 ZINC001233459574 802122653 /nfs/dbraw/zinc/12/26/53/802122653.db2.gz OIGMHCJHLQEQQM-CQSZACIVSA-N 0 3 311.385 2.356 20 30 DEEDHN C#C[C@@H](Oc1nc2onc(C)c2c2c1CNCC2)c1ccncc1 ZINC001218418646 802180234 /nfs/dbraw/zinc/18/02/34/802180234.db2.gz ULKSJTLAOOHCTK-OAHLLOKOSA-N 0 3 320.352 2.325 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001233742703 802195298 /nfs/dbraw/zinc/19/52/98/802195298.db2.gz QYACWGISPLCZOR-STQMWFEESA-N 0 3 307.394 2.184 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233749725 802196764 /nfs/dbraw/zinc/19/67/64/802196764.db2.gz BQOAGIFBRSJXBR-HZPDHXFCSA-N 0 3 319.453 2.118 20 30 DEEDHN N#Cc1c2c(sc1NC(=O)c1ccc3c(c1)NCC3)CNCC2 ZINC001218556682 802205450 /nfs/dbraw/zinc/20/54/50/802205450.db2.gz XFJBPHHEZIKFSH-UHFFFAOYSA-N 0 3 324.409 2.486 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](C)C(C)(F)F)[C@H]2C1 ZINC001218638327 802220103 /nfs/dbraw/zinc/22/01/03/802220103.db2.gz FXMDGURWFYAALK-MELADBBJSA-N 0 3 316.392 2.156 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)COCCCCCC)[C@H]2C1 ZINC001219010249 802274999 /nfs/dbraw/zinc/27/49/99/802274999.db2.gz ICHZWTSZTYOWDU-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)/C=C\c2ccco2)[C@@H](O)C1 ZINC001219117731 802285967 /nfs/dbraw/zinc/28/59/67/802285967.db2.gz AQLPEPPGIMYRPK-WMXNSBIJSA-N 0 3 320.433 2.425 20 30 DEEDHN COc1ccc(N)c(NC(=O)C[C@@H](N)c2ccc(C#N)cc2)c1 ZINC001219141975 802289611 /nfs/dbraw/zinc/28/96/11/802289611.db2.gz FYXHUSGEVQAYGC-OAHLLOKOSA-N 0 3 310.357 2.178 20 30 DEEDHN CO[C@@H](CN1CC[C@@H]1CN(C)C(=O)C#CC(C)C)C1CCCC1 ZINC001234160722 802313692 /nfs/dbraw/zinc/31/36/92/802313692.db2.gz JCMCHCPFPDOYCO-MSOLQXFVSA-N 0 3 320.477 2.384 20 30 DEEDHN CN(C[C@@H]1CCN1C[C@H]1CCC(F)(F)C1)C(=O)C#CC1CC1 ZINC001234187197 802321101 /nfs/dbraw/zinc/32/11/01/802321101.db2.gz VGOARNCWLGOYJK-GJZGRUSLSA-N 0 3 310.388 2.368 20 30 DEEDHN CCOC1CC(CN2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)C1 ZINC001234214351 802328017 /nfs/dbraw/zinc/32/80/17/802328017.db2.gz AFXODUCUKOWPHQ-CGZBRXJRSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001234298005 802343742 /nfs/dbraw/zinc/34/37/42/802343742.db2.gz ZGSOGRLJBLSRAB-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)CC ZINC001234490112 802393478 /nfs/dbraw/zinc/39/34/78/802393478.db2.gz OYVSTPMOMQPNBJ-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H]1Cc2ccccc2O1 ZINC001234500391 802395191 /nfs/dbraw/zinc/39/51/91/802395191.db2.gz SYJDHURDQJCCHA-DLBZAZTESA-N 0 3 314.429 2.489 20 30 DEEDHN CC(C)[N@@H+]1CCC[C@H](Oc2[n-]c(=O)nc3ccc(C#N)cc32)C1 ZINC001234531187 802406007 /nfs/dbraw/zinc/40/60/07/802406007.db2.gz ULCVLEAWMMFZAL-ZDUSSCGKSA-N 0 3 312.373 2.459 20 30 DEEDHN CC(C)[N@H+]1CCC[C@H](Oc2[n-]c(=O)nc3ccc(C#N)cc32)C1 ZINC001234531187 802406012 /nfs/dbraw/zinc/40/60/12/802406012.db2.gz ULCVLEAWMMFZAL-ZDUSSCGKSA-N 0 3 312.373 2.459 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001220185869 802421734 /nfs/dbraw/zinc/42/17/34/802421734.db2.gz QYKRKCOWYQANIS-MSOLQXFVSA-N 0 3 318.461 2.232 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220205466 802427244 /nfs/dbraw/zinc/42/72/44/802427244.db2.gz BCAMXTISVUTINX-CVHJSEFTSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220434609 802460065 /nfs/dbraw/zinc/46/00/65/802460065.db2.gz SOKGWFUKBJSLPB-USQNJUIBSA-N 0 3 308.466 2.496 20 30 DEEDHN C[C@H]1CCN[C@H](C(=O)N=C(N)c2ccc3cc(O)ccc3c2)C1 ZINC001220633899 802481745 /nfs/dbraw/zinc/48/17/45/802481745.db2.gz CRKHHDJVQGLYKT-ZBEGNZNMSA-N 0 3 311.385 2.165 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1O)c1ccccc1 ZINC001221029025 802521385 /nfs/dbraw/zinc/52/13/85/802521385.db2.gz ISIAXFVMWRRTRO-KURKYZTESA-N 0 3 316.445 2.164 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)/C=C\c3ccco3)[C@@H]2C1 ZINC001221228874 802539933 /nfs/dbraw/zinc/53/99/33/802539933.db2.gz HHZMCQHBAMTEBO-BZOVTKSESA-N 0 3 316.401 2.028 20 30 DEEDHN C#CC1(NC(=O)[C@H](COCc2ccccc2)NC)CCCCC1 ZINC001221276346 802546464 /nfs/dbraw/zinc/54/64/64/802546464.db2.gz WPKLIQCENLXPLC-KRWDZBQOSA-N 0 3 314.429 2.244 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@H]3CCN(CC)C[C@H]32)cc1 ZINC001221546484 802592181 /nfs/dbraw/zinc/59/21/81/802592181.db2.gz WIBNGKICVSRDFD-SJLPKXTDSA-N 0 3 312.413 2.255 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC3(C(F)(F)F)CC3)[C@@H]2C1 ZINC001221615365 802596385 /nfs/dbraw/zinc/59/63/85/802596385.db2.gz FAQKCIVHJSTYEC-CHWSQXEVSA-N 0 3 314.351 2.275 20 30 DEEDHN C=CCCCC(=O)N1C[C@H]2CCN(C[C@H]3CCCCO3)C[C@H]21 ZINC001221782424 802614288 /nfs/dbraw/zinc/61/42/88/802614288.db2.gz BRDMDNAQIMFTSN-BRWVUGGUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN([C@H](C)COC)C[C@H]32)CCC1 ZINC001221797764 802617023 /nfs/dbraw/zinc/61/70/23/802617023.db2.gz FKXQGIAUYYDLGH-BZUAXINKSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001221966965 802629452 /nfs/dbraw/zinc/62/94/52/802629452.db2.gz NDPSUJBAFMUGQR-VXGBXAGGSA-N 0 3 309.797 2.441 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001222641372 802720625 /nfs/dbraw/zinc/72/06/25/802720625.db2.gz KKLMLEZWVBNPIY-CYBMUJFWSA-N 0 3 303.381 2.314 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC001223229312 802774908 /nfs/dbraw/zinc/77/49/08/802774908.db2.gz QHUDJBUBEHHKHJ-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CCC(=O)NCC1CCN([C@H](CCCC)C(N)=O)CC1 ZINC001223363129 802784657 /nfs/dbraw/zinc/78/46/57/802784657.db2.gz UWGZYADRXICOHY-MRXNPFEDSA-N 0 3 323.481 2.215 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCc2cncc(C)c2)CC1 ZINC001223787777 802816287 /nfs/dbraw/zinc/81/62/87/802816287.db2.gz BXZBENWBBOTPJG-UHFFFAOYSA-N 0 3 313.445 2.174 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCC3(CCC3)CO2)CC1 ZINC001225228168 802945366 /nfs/dbraw/zinc/94/53/66/802945366.db2.gz GLGQKGOPNVPVGB-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001225286754 802951574 /nfs/dbraw/zinc/95/15/74/802951574.db2.gz ZQOQOVHTGKCLRM-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001225361980 802958531 /nfs/dbraw/zinc/95/85/31/802958531.db2.gz YSWXEOZNYDQHCI-HZPDHXFCSA-N 0 3 317.433 2.110 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2noc(C)n2)CC1 ZINC001226795908 803161958 /nfs/dbraw/zinc/16/19/58/803161958.db2.gz BZOUEDQWHJJUFD-CQSZACIVSA-N 0 3 321.425 2.169 20 30 DEEDHN C#CCCCCC(=O)NC1CCN(CCOCC(C)C)CC1 ZINC001226952085 803181565 /nfs/dbraw/zinc/18/15/65/803181565.db2.gz REPDPDRTNIXWCO-UHFFFAOYSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CC1(F)CN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001228118970 803321434 /nfs/dbraw/zinc/32/14/34/803321434.db2.gz KBEFDDNJWMSXHS-INIZCTEOSA-N 0 3 315.392 2.018 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](OC)C(C)C ZINC001228355223 803350242 /nfs/dbraw/zinc/35/02/42/803350242.db2.gz JDFZAYJFNCPEGL-MGPQQGTHSA-N 0 3 302.846 2.427 20 30 DEEDHN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001417962201 1167330201 /nfs/dbraw/zinc/33/02/01/1167330201.db2.gz YVSQXHUAUWJYRU-AWEZNQCLSA-N 0 3 313.873 2.050 20 30 DEEDHN Cc1cc(CNCCC[C@H](C)NC(=O)C#CC(C)(C)C)ncn1 ZINC001330811253 1149302023 /nfs/dbraw/zinc/30/20/23/1149302023.db2.gz KOSFQPKTCCYDBF-AWEZNQCLSA-N 0 3 316.449 2.209 20 30 DEEDHN COCCN(Cc1ccc(C)c(C)c1)C(=O)[C@H](N)CCCC#N ZINC001331023017 1149362807 /nfs/dbraw/zinc/36/28/07/1149362807.db2.gz WMAICCFJGRTKBC-QGZVFWFLSA-N 0 3 317.433 2.300 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)NCc1ccnc(N(C)C)c1 ZINC001331408281 1149437850 /nfs/dbraw/zinc/43/78/50/1149437850.db2.gz XLHQJGYDLQXQFI-AWEZNQCLSA-N 0 3 304.438 2.050 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@H]1CCC=CCCC1)C2 ZINC001343057059 1150667345 /nfs/dbraw/zinc/66/73/45/1150667345.db2.gz ZLKLCIFHVVBFOC-VUGNNNGISA-N 0 3 301.434 2.378 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2OC)cc1Cl ZINC001343598229 1150755351 /nfs/dbraw/zinc/75/53/51/1150755351.db2.gz ASERFMKEKWHNOF-GIPNMCIBSA-N 0 3 322.748 2.031 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC001574962445 1069311221 /nfs/dbraw/zinc/31/12/21/1069311221.db2.gz LPIKEYJILDEREU-VXGBXAGGSA-N 0 3 301.415 2.084 20 30 DEEDHN C=CCCC[C@H](C(=O)N[C@@H]1COC2(CNC2)C1)c1ccccc1 ZINC001344012050 1150791903 /nfs/dbraw/zinc/79/19/03/1150791903.db2.gz SUDTWBNLSZSIRB-IRXDYDNUSA-N 0 3 314.429 2.374 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)N[C@@H](C)c2cccc(C)c2)C1 ZINC001331788151 1149680267 /nfs/dbraw/zinc/68/02/67/1149680267.db2.gz QLOYSYFDLWBHJF-RDJZCZTQSA-N 0 3 316.445 2.479 20 30 DEEDHN CC#CCNC[C@@](C)(O)c1ccc(Br)cc1F ZINC001346237524 1150956429 /nfs/dbraw/zinc/95/64/29/1150956429.db2.gz QAPJQHMYXFTZGX-CYBMUJFWSA-N 0 3 300.171 2.409 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001346330860 1150971200 /nfs/dbraw/zinc/97/12/00/1150971200.db2.gz PQHOTWHVLGYUFR-SJORKVTESA-N 0 3 321.465 2.380 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001424941559 1174047183 /nfs/dbraw/zinc/04/71/83/1174047183.db2.gz RODNFIGAGDHXGJ-RYUDHWBXSA-N 0 3 310.829 2.019 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCC[C@H]1CCCN1Cc1cn[nH]n1 ZINC001575065033 1069352393 /nfs/dbraw/zinc/35/23/93/1069352393.db2.gz CRTBSPTZJPHRKD-HNNXBMFYSA-N 0 3 319.453 2.268 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCC[C@H]1CCCN1Cc1c[nH]nn1 ZINC001575065033 1069352409 /nfs/dbraw/zinc/35/24/09/1069352409.db2.gz CRTBSPTZJPHRKD-HNNXBMFYSA-N 0 3 319.453 2.268 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001522634464 1069428583 /nfs/dbraw/zinc/42/85/83/1069428583.db2.gz IEOIVSQTDGOTAY-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001328468595 1148800309 /nfs/dbraw/zinc/80/03/09/1148800309.db2.gz NLTWTRYQROIQEZ-ZWKOTPCHSA-N 0 3 315.461 2.228 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COCc2ccncc2)c1 ZINC001523895439 1069759633 /nfs/dbraw/zinc/75/96/33/1069759633.db2.gz QQULSBZPAQFZQS-MRXNPFEDSA-N 0 3 323.352 2.254 20 30 DEEDHN C=CCCCC[NH+]1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001602837966 1069771424 /nfs/dbraw/zinc/77/14/24/1069771424.db2.gz KGZZPCYPORQHGY-UHFFFAOYSA-N 0 3 318.450 2.407 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001368496952 1148467541 /nfs/dbraw/zinc/46/75/41/1148467541.db2.gz JTPJBQTWHBNRMJ-CFVMTHIKSA-N 0 3 321.371 2.430 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](CNC(=O)CCCF)C2)c1 ZINC001368499744 1148468894 /nfs/dbraw/zinc/46/88/94/1148468894.db2.gz SUNOTGOACNHFOI-OTVXOJSOSA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc(C)cc(C)c2)CC1 ZINC001328559488 1148810386 /nfs/dbraw/zinc/81/03/86/1148810386.db2.gz YJTYGDQXWLWTGV-UHFFFAOYSA-N 0 3 316.445 2.436 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001526575086 1070310886 /nfs/dbraw/zinc/31/08/86/1070310886.db2.gz NWLKTTVNFFPEHZ-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(=C)C ZINC001328683649 1148823641 /nfs/dbraw/zinc/82/36/41/1148823641.db2.gz OPBRTFOYRFOFOU-QRQLOZEOSA-N 0 3 314.429 2.261 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]1CN(C)CCn1nc(C)cc1C ZINC001328707522 1148826090 /nfs/dbraw/zinc/82/60/90/1148826090.db2.gz QFVNQSXIMJQAHD-QGZVFWFLSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)cnc2c1 ZINC001328735431 1148829646 /nfs/dbraw/zinc/82/96/46/1148829646.db2.gz ARTZKBJPGKJYCG-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)COCCc1ccccc1 ZINC001328795776 1148835926 /nfs/dbraw/zinc/83/59/26/1148835926.db2.gz DSXVWKNDVPCQNN-GOSISDBHSA-N 0 3 316.445 2.355 20 30 DEEDHN Cc1noc([C@H]2CCCN(C[C@@H](O)c3cccc(C#N)c3)C2)n1 ZINC001459345534 1058150287 /nfs/dbraw/zinc/15/02/87/1058150287.db2.gz FBKGTXKZOKAIBZ-JKSUJKDBSA-N 0 3 312.373 2.163 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2c[nH]c3cnccc23)CC1 ZINC001499993693 1058420510 /nfs/dbraw/zinc/42/05/10/1058420510.db2.gz AHWMXBVDIIGGKQ-UHFFFAOYSA-N 0 3 324.428 2.099 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC001500005951 1058425604 /nfs/dbraw/zinc/42/56/04/1058425604.db2.gz OGFMFMQFQVEVKE-INIZCTEOSA-N 0 3 314.429 2.448 20 30 DEEDHN C#CCN(C(=O)[C@H](C)OCCC=C)C1CCN(CC=C)CC1 ZINC001500028963 1058441330 /nfs/dbraw/zinc/44/13/30/1058441330.db2.gz FRBFKYFVXOUKIN-INIZCTEOSA-N 0 3 304.434 2.080 20 30 DEEDHN C#CCN(C(=O)C[C@H](CC)C(C)(C)C)C1CCN(CCO)CC1 ZINC001500054573 1058454153 /nfs/dbraw/zinc/45/41/53/1058454153.db2.gz QXDPVITWCJPXCN-INIZCTEOSA-N 0 3 322.493 2.367 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](NC(C)=O)C1CCCC1 ZINC001500065748 1058464822 /nfs/dbraw/zinc/46/48/22/1058464822.db2.gz WYGZXEBGBMGIIA-KRWDZBQOSA-N 0 3 315.417 2.351 20 30 DEEDHN C#CCOCCN1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001460602597 1058479198 /nfs/dbraw/zinc/47/91/98/1058479198.db2.gz DHVSAGADGLKNDO-OAHLLOKOSA-N 0 3 310.438 2.406 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N[C@@H](CNCC#N)C1CCCC1 ZINC001500114538 1058500106 /nfs/dbraw/zinc/50/01/06/1058500106.db2.gz IWZHQPBAEYWOBA-IRXDYDNUSA-N 0 3 320.481 2.037 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@](C)(CNCc3nccn3C)C2)C1 ZINC001500375784 1058731644 /nfs/dbraw/zinc/73/16/44/1058731644.db2.gz AWQKENSYUGSROS-QGZVFWFLSA-N 0 3 316.449 2.105 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc3ccccn3c2)CC1 ZINC001500451178 1058796151 /nfs/dbraw/zinc/79/61/51/1058796151.db2.gz AZUPAGKAJQOYQK-UHFFFAOYSA-N 0 3 309.413 2.404 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](CCC)OCC)C1 ZINC001500515353 1058882435 /nfs/dbraw/zinc/88/24/35/1058882435.db2.gz PFLMFCZGZJRQJF-FUHWJXTLSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001500546486 1058912343 /nfs/dbraw/zinc/91/23/43/1058912343.db2.gz AZKRJRVNTVSFOG-VQIMIIECSA-N 0 3 313.445 2.201 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(F)(F)C(F)F ZINC001501400121 1059492579 /nfs/dbraw/zinc/49/25/79/1059492579.db2.gz OZRTYQJGAZATQV-NWDGAFQWSA-N 0 3 320.330 2.366 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001369163106 1148859050 /nfs/dbraw/zinc/85/90/50/1148859050.db2.gz ITRYPFWJTXSZKR-HDJSIYSDSA-N 0 3 324.856 2.164 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)CSCC#N ZINC001501660657 1059616462 /nfs/dbraw/zinc/61/64/62/1059616462.db2.gz ATEBJWOGCLCFDI-UHFFFAOYSA-N 0 3 303.431 2.177 20 30 DEEDHN N#Cc1cc(C[NH2+]C2(C[N-]C(=O)C(F)F)CCC2)ccc1F ZINC001501902725 1059764761 /nfs/dbraw/zinc/76/47/61/1059764761.db2.gz YUIGVNFKFUXNFB-UHFFFAOYSA-N 0 3 311.307 2.091 20 30 DEEDHN CN(C)CCn1nccc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001468513591 1059803249 /nfs/dbraw/zinc/80/32/49/1059803249.db2.gz FYWXUOROOBBNNU-UHFFFAOYSA-N 0 3 322.372 2.050 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NCc2cncn2C)CCC1 ZINC001501988321 1059836282 /nfs/dbraw/zinc/83/62/82/1059836282.db2.gz HUOOYRRIJBEYDK-UHFFFAOYSA-N 0 3 304.438 2.151 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001502125898 1059967882 /nfs/dbraw/zinc/96/78/82/1059967882.db2.gz MNXXTFDIEKCYOP-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)C2CCC(F)CC2)CC1 ZINC001502135350 1059977898 /nfs/dbraw/zinc/97/78/98/1059977898.db2.gz IXUZNDLKIKFOOD-OFLPRAFFSA-N 0 3 324.440 2.135 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001502595072 1060189629 /nfs/dbraw/zinc/18/96/29/1060189629.db2.gz JHFNQZFYOIXWNU-QAPCUYQASA-N 0 3 308.466 2.025 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001502819851 1060322325 /nfs/dbraw/zinc/32/23/25/1060322325.db2.gz CDFLFJDTMOUNHJ-YOEHRIQHSA-N 0 3 324.428 2.435 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@]1(C)CCC[C@@H]1C ZINC001327259140 1148505161 /nfs/dbraw/zinc/50/51/61/1148505161.db2.gz ZYRSNNYRMVSUNW-FUHWJXTLSA-N 0 3 308.466 2.243 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C[C@@H](C)CC)CCO2 ZINC001503701436 1060464494 /nfs/dbraw/zinc/46/44/94/1060464494.db2.gz ZDSIVPYTWGBHSM-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCCC(=O)NC1CC(CNCc2oc(C)nc2C)C1 ZINC001505494055 1060657479 /nfs/dbraw/zinc/65/74/79/1060657479.db2.gz QHDMDPBLAFABGV-UHFFFAOYSA-N 0 3 303.406 2.079 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN[C@H](CO)c2ccccc2)cc1 ZINC001473300330 1060666030 /nfs/dbraw/zinc/66/60/30/1060666030.db2.gz MBTRXRBTJLYMOD-GOSISDBHSA-N 0 3 308.381 2.320 20 30 DEEDHN CC#CCCCC(=O)NC1CC(CNCc2ccc(F)cn2)C1 ZINC001505513580 1060670376 /nfs/dbraw/zinc/67/03/76/1060670376.db2.gz NWAAJUAEMWKTQK-UHFFFAOYSA-N 0 3 317.408 2.399 20 30 DEEDHN C[C@H](NCC(C)(C)CN(C)C(=O)C#CC1CC1)c1cnccn1 ZINC001505811778 1060989989 /nfs/dbraw/zinc/98/99/89/1060989989.db2.gz TZLGMVGYKCEENS-AWEZNQCLSA-N 0 3 314.433 2.025 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cc(C)cc(F)c1 ZINC001506008151 1061260636 /nfs/dbraw/zinc/26/06/36/1061260636.db2.gz QCIQLNVZNHBEOH-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001479383734 1061429685 /nfs/dbraw/zinc/42/96/85/1061429685.db2.gz AJMVOBLDPFZNQM-MRVWCRGKSA-N 0 3 319.453 2.261 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001329086955 1148863967 /nfs/dbraw/zinc/86/39/67/1148863967.db2.gz RAGRLEYPPHGGDB-KBPBESRZSA-N 0 3 313.376 2.302 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1c[nH]nc1-c1ccsc1 ZINC001506029914 1061581121 /nfs/dbraw/zinc/58/11/21/1061581121.db2.gz LSRYLULONHQMBI-LLVKDONJSA-N 0 3 304.419 2.374 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@]34CCO[C@@H]3CCCC4)C2)C1 ZINC001479758530 1061695281 /nfs/dbraw/zinc/69/52/81/1061695281.db2.gz MHGSLZFKGKAURJ-QAPCUYQASA-N 0 3 304.434 2.056 20 30 DEEDHN CC#CCN(C)CCCNC(=O)COc1ccc(C)c(C)c1 ZINC001479812401 1061826344 /nfs/dbraw/zinc/82/63/44/1061826344.db2.gz LXUWOQIZMNSNDQ-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)Cc1ccccn1 ZINC001479854927 1061918657 /nfs/dbraw/zinc/91/86/57/1061918657.db2.gz QGWAOPVEUQSMSK-SJORKVTESA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC001479882278 1061984815 /nfs/dbraw/zinc/98/48/15/1061984815.db2.gz NCTOHRDGAGTQBH-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCCN1CCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001479906447 1062033625 /nfs/dbraw/zinc/03/36/25/1062033625.db2.gz CUGDIMHZPNESTR-ZDUSSCGKSA-N 0 3 307.394 2.234 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001479961011 1062110790 /nfs/dbraw/zinc/11/07/90/1062110790.db2.gz GQTLBFDRYGINSJ-KRWDZBQOSA-N 0 3 315.461 2.452 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)CCOCC1CC1 ZINC001506566470 1062139737 /nfs/dbraw/zinc/13/97/37/1062139737.db2.gz VJSNEZTZCZKWQA-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCc2ccc(F)cc2)CC1 ZINC001479982569 1062143837 /nfs/dbraw/zinc/14/38/37/1062143837.db2.gz JCIJRJAIPXUARO-QGZVFWFLSA-N 0 3 314.404 2.362 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001479989100 1062151103 /nfs/dbraw/zinc/15/11/03/1062151103.db2.gz XSUQTKRXGFBAMP-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC001506641937 1062226209 /nfs/dbraw/zinc/22/62/09/1062226209.db2.gz PYVLXFLQGZYFOY-AWEZNQCLSA-N 0 3 320.408 2.387 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001506676466 1062266627 /nfs/dbraw/zinc/26/66/27/1062266627.db2.gz AVGKXQRKVSYUGK-CYBMUJFWSA-N 0 3 312.417 2.118 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OCC)C1CC1 ZINC001480095585 1062319361 /nfs/dbraw/zinc/31/93/61/1062319361.db2.gz SCMAZWBTNUKTPR-IXDOHACOSA-N 0 3 306.450 2.443 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001480130844 1062365722 /nfs/dbraw/zinc/36/57/22/1062365722.db2.gz FKJGGYIXCUIKPX-OASPWFOLSA-N 0 3 309.772 2.376 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001480152960 1062395780 /nfs/dbraw/zinc/39/57/80/1062395780.db2.gz KLKHKBYUCHQXNO-BZUAXINKSA-N 0 3 314.433 2.276 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCCc4ccccc43)[C@@H]2C1 ZINC001506825120 1062412396 /nfs/dbraw/zinc/41/23/96/1062412396.db2.gz IKZOASLJAIROLE-AFYVEPGGSA-N 0 3 322.452 2.424 20 30 DEEDHN C=CCOCCN1CCCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001506862282 1062446113 /nfs/dbraw/zinc/44/61/13/1062446113.db2.gz LWOMWEYHZNBCDS-UHFFFAOYSA-N 0 3 318.461 2.163 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001506899756 1062490069 /nfs/dbraw/zinc/49/00/69/1062490069.db2.gz HTOOSDMNTHHVJZ-JOCQHMNTSA-N 0 3 310.829 2.062 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001480339757 1062681988 /nfs/dbraw/zinc/68/19/88/1062681988.db2.gz XWMNLWVCYVCGTM-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1cc(C(=O)N(C)C[C@@H](C)NCc2ccc(C#N)s2)no1 ZINC001507044347 1062721496 /nfs/dbraw/zinc/72/14/96/1062721496.db2.gz ANRBCFMXBIUSAU-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCOC ZINC001480373799 1062738166 /nfs/dbraw/zinc/73/81/66/1062738166.db2.gz SNEZENQFBDEJSE-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCc2cscn2)C1 ZINC001480386902 1062772671 /nfs/dbraw/zinc/77/26/71/1062772671.db2.gz NKLXAOQEUSOOBB-LSDHHAIUSA-N 0 3 319.474 2.316 20 30 DEEDHN CCc1nc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)co1 ZINC001480450030 1062880309 /nfs/dbraw/zinc/88/03/09/1062880309.db2.gz VYXAVODGEZBSDZ-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@@H](C)NC[C@H](F)CC ZINC001507150280 1062918478 /nfs/dbraw/zinc/91/84/78/1062918478.db2.gz YLZAVRSNBBCUNV-RHSMWYFYSA-N 0 3 304.409 2.395 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2n[nH]c(C)n2)CCCC1 ZINC001507166536 1062943678 /nfs/dbraw/zinc/94/36/78/1062943678.db2.gz UUJYBVSXSYCIQN-CYBMUJFWSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CO)N[C@@H](C)c1ccccc1 ZINC001507208778 1062973717 /nfs/dbraw/zinc/97/37/17/1062973717.db2.gz VMWCEZLOEIGGGF-HOCLYGCPSA-N 0 3 304.434 2.417 20 30 DEEDHN C[C@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)c1ccc[nH]1 ZINC001507269550 1063009987 /nfs/dbraw/zinc/00/99/87/1063009987.db2.gz KQTKWLURTRRQCC-DOTOQJQBSA-N 0 3 307.397 2.259 20 30 DEEDHN C[C@H](CNC(=O)[C@]1(C)CCCOC1)NCc1ccc(C#N)s1 ZINC001480562170 1063036975 /nfs/dbraw/zinc/03/69/75/1063036975.db2.gz AJJSWAAKFQALDT-MLGOLLRUSA-N 0 3 321.446 2.031 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cc2cc(C)ccc2o1 ZINC001480595606 1063085365 /nfs/dbraw/zinc/08/53/65/1063085365.db2.gz CKAGYEZVGQBNCS-CQSZACIVSA-N 0 3 314.385 2.099 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cncc3ccccc32)C1 ZINC001507337446 1063117071 /nfs/dbraw/zinc/11/70/71/1063117071.db2.gz DOQOKQICJJKTLL-GOEBONIOSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2csnc2OC)C1 ZINC001480633802 1063132501 /nfs/dbraw/zinc/13/25/01/1063132501.db2.gz HGRXEIREGDBHGJ-GFCCVEGCSA-N 0 3 309.435 2.056 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C(F)(F)F)CC2)[C@@H]1C ZINC001507386113 1063209802 /nfs/dbraw/zinc/20/98/02/1063209802.db2.gz UIYQRHIVKPQSQK-RYUDHWBXSA-N 0 3 302.340 2.321 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC001480741759 1063281740 /nfs/dbraw/zinc/28/17/40/1063281740.db2.gz XZGAACXWPCZOIE-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1cc(OC)no1 ZINC001480784108 1063337105 /nfs/dbraw/zinc/33/71/05/1063337105.db2.gz RITZHXSMLRMTOB-LBPRGKRZSA-N 0 3 309.410 2.270 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(C)nc1C(C)C ZINC001507673855 1063379977 /nfs/dbraw/zinc/37/99/77/1063379977.db2.gz CLYLUUHELZZGFD-HNNXBMFYSA-N 0 3 319.449 2.064 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cccc2ccsc21 ZINC001507714373 1063392397 /nfs/dbraw/zinc/39/23/97/1063392397.db2.gz CUICLSCGYMYGCH-AWEZNQCLSA-N 0 3 318.442 2.452 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cc(OC)ccn1)C(C)C ZINC001507823802 1063430738 /nfs/dbraw/zinc/43/07/38/1063430738.db2.gz XNSAXSAIOWUPGN-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1ncccc1OC)C(C)C ZINC001507863734 1063444781 /nfs/dbraw/zinc/44/47/81/1063444781.db2.gz LJXAGFDKIJRTLP-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN C=C(C)CC[NH2+]C[C@H](NC(=O)c1c(C)nc[n-]c1=O)C(C)(C)C ZINC001508003130 1063494161 /nfs/dbraw/zinc/49/41/61/1063494161.db2.gz HPGBWVZSZXBAHN-ZDUSSCGKSA-N 0 3 320.437 2.191 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)/C=C/C(C)(C)C)CC1 ZINC001508069610 1063534147 /nfs/dbraw/zinc/53/41/47/1063534147.db2.gz MILOBFUNGIXQAD-KXKDPZRNSA-N 0 3 320.477 2.455 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](CCC)OC)CC2)CC1 ZINC001508162437 1063585959 /nfs/dbraw/zinc/58/59/59/1063585959.db2.gz XBKUXXVKYXBDAZ-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cc[nH]c(=O)c2)c(F)c1 ZINC001508243208 1063627566 /nfs/dbraw/zinc/62/75/66/1063627566.db2.gz PVQQNGUJPDRRON-UHFFFAOYSA-N 0 3 315.348 2.132 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001493227334 1063654336 /nfs/dbraw/zinc/65/43/36/1063654336.db2.gz PIWYSMJLLVRUOI-HZPDHXFCSA-N 0 3 303.381 2.244 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001493231429 1063657341 /nfs/dbraw/zinc/65/73/41/1063657341.db2.gz WGCNTAHRXFCGAO-OAHLLOKOSA-N 0 3 309.413 2.090 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001493263233 1063676848 /nfs/dbraw/zinc/67/68/48/1063676848.db2.gz KUJYWKXGWKLXFE-HFCFLWKCSA-N 0 3 318.461 2.045 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001493267648 1063679079 /nfs/dbraw/zinc/67/90/79/1063679079.db2.gz AGEJWVFTTHTUAW-DOTOQJQBSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCN(CCNC(=O)C[C@@H]1OCCc2ccccc21)C1CC1 ZINC001493436767 1063793221 /nfs/dbraw/zinc/79/32/21/1063793221.db2.gz YKQHTZJBJUCBNK-SFHVURJKSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN[C@H](C)C(=O)N1CCCCC1 ZINC001493652830 1063899096 /nfs/dbraw/zinc/89/90/96/1063899096.db2.gz BVBXHZDLPDHBFS-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@H](CN[C@@H](CNC(=O)C#CC1CC1)c1ccccc1)OC ZINC001493889156 1064012399 /nfs/dbraw/zinc/01/23/99/1064012399.db2.gz KPBKBCDGJUZIKR-MSOLQXFVSA-N 0 3 314.429 2.272 20 30 DEEDHN N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CCCC1 ZINC001493902830 1064017147 /nfs/dbraw/zinc/01/71/47/1064017147.db2.gz CLVRCVCWPKQXHA-IYBDPMFKSA-N 0 3 321.490 2.499 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccnc(OC)c2)C1 ZINC001493956680 1064040721 /nfs/dbraw/zinc/04/07/21/1064040721.db2.gz NTOJLZOHTJMWFY-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)COc2ccsc2)C1 ZINC001493971145 1064051606 /nfs/dbraw/zinc/05/16/06/1064051606.db2.gz JUCMZHYHRANCNK-HNNXBMFYSA-N 0 3 320.458 2.463 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C/C=C\Cl)C2)cn1 ZINC001494173861 1064155212 /nfs/dbraw/zinc/15/52/12/1064155212.db2.gz YBZNTDJZKOSGEY-VCDPDADVSA-N 0 3 317.820 2.209 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCN1CCn1nc(C)cc1C ZINC001567366580 1064163254 /nfs/dbraw/zinc/16/32/54/1064163254.db2.gz KXJZMNSCPFSTJX-INIZCTEOSA-N 0 3 304.438 2.047 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001567409958 1064186924 /nfs/dbraw/zinc/18/69/24/1064186924.db2.gz RZQBYDZQOSWTQE-JKSUJKDBSA-N 0 3 316.420 2.466 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)CCCC2CCCC2)C1 ZINC001567418859 1064192256 /nfs/dbraw/zinc/19/22/56/1064192256.db2.gz BZOGUANTJVRMDL-SFHVURJKSA-N 0 3 320.477 2.435 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001567479182 1064217547 /nfs/dbraw/zinc/21/75/47/1064217547.db2.gz BCCUKMDFLCWOSK-QLPKVWCKSA-N 0 3 315.392 2.291 20 30 DEEDHN CC(C)N(CCCNC(=O)[C@H](C)C#N)Cc1ccccc1C#N ZINC001567638383 1064297796 /nfs/dbraw/zinc/29/77/96/1064297796.db2.gz FMJIHNBDDVRJDO-OAHLLOKOSA-N 0 3 312.417 2.435 20 30 DEEDHN CCc1nocc1CN(CCCNC(=O)C#CC1CC1)C(C)C ZINC001567641338 1064303420 /nfs/dbraw/zinc/30/34/20/1064303420.db2.gz ARLMGQYVRZVTGP-UHFFFAOYSA-N 0 3 317.433 2.367 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001494542904 1064307374 /nfs/dbraw/zinc/30/73/74/1064307374.db2.gz QQIGCPSXEFDOPS-IBGZPJMESA-N 0 3 316.445 2.179 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnc(C)nc1C)c1ccccc1 ZINC001567664349 1064329674 /nfs/dbraw/zinc/32/96/74/1064329674.db2.gz PWZYNEYTYOYRDM-QGZVFWFLSA-N 0 3 310.401 2.340 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2cscn2)C1 ZINC001567688507 1064344749 /nfs/dbraw/zinc/34/47/49/1064344749.db2.gz NDIUALZFQCFHFX-OAHLLOKOSA-N 0 3 305.447 2.022 20 30 DEEDHN CC(C)C#CC(=O)NCC[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC001567700268 1064356109 /nfs/dbraw/zinc/35/61/09/1064356109.db2.gz YITYXCTUEQLKCI-HZPDHXFCSA-N 0 3 314.433 2.025 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](OCC)C1CC1 ZINC001494667012 1064398368 /nfs/dbraw/zinc/39/83/68/1064398368.db2.gz MEYWWWSARVVHGL-OKZBNKHCSA-N 0 3 318.461 2.280 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(CCCc2cccc(F)c2)C1 ZINC001494696649 1064419571 /nfs/dbraw/zinc/41/95/71/1064419571.db2.gz NWQJSJXXNLCLEI-KRWDZBQOSA-N 0 3 320.408 2.151 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CCN(CC2CC(F)(F)C2)C1 ZINC001494695206 1064419882 /nfs/dbraw/zinc/41/98/82/1064419882.db2.gz LGMRECQVSWIDIL-OCCSQVGLSA-N 0 3 316.392 2.203 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001494704259 1064422422 /nfs/dbraw/zinc/42/24/22/1064422422.db2.gz CJNVMNPPZDETMW-WMZOPIPTSA-N 0 3 314.429 2.032 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC1CN(CC[C@@H](C)F)C1 ZINC001567846850 1064456497 /nfs/dbraw/zinc/45/64/97/1064456497.db2.gz JJOWULGQJWKTGF-CQSZACIVSA-N 0 3 302.393 2.007 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(F)cc1 ZINC001567866010 1064471334 /nfs/dbraw/zinc/47/13/34/1064471334.db2.gz FKZORCLVAYLSOG-HOTGVXAUSA-N 0 3 318.392 2.456 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H]2CCOC2)CCCC1 ZINC001567866018 1064471537 /nfs/dbraw/zinc/47/15/37/1064471537.db2.gz BZKDFGUCMIJVKN-IKGGRYGDSA-N 0 3 318.461 2.445 20 30 DEEDHN CCc1ccccc1CCN1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001567872895 1064475899 /nfs/dbraw/zinc/47/58/99/1064475899.db2.gz FZPOYDPIVGZGHV-IBGZPJMESA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCc2ccccc2)C1 ZINC001567883056 1064481257 /nfs/dbraw/zinc/48/12/57/1064481257.db2.gz ZCUUEUYWMLRMNX-KRWDZBQOSA-N 0 3 302.418 2.012 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCCOCC(F)(F)F)C1 ZINC001567893977 1064490337 /nfs/dbraw/zinc/49/03/37/1064490337.db2.gz BUCFJNSERXSHAL-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCc2ccc(OC)cc2)C1 ZINC001567927411 1064529943 /nfs/dbraw/zinc/52/99/43/1064529943.db2.gz LITFBHVYGGULHM-QGZVFWFLSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCOCc2ccccc2)C1 ZINC001567929178 1064530655 /nfs/dbraw/zinc/53/06/55/1064530655.db2.gz YCHCYOJEHFRWJK-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN C#CCCCC(=O)NC[C@H](CC)NCC#Cc1ccc(F)cc1 ZINC001567959520 1064562654 /nfs/dbraw/zinc/56/26/54/1064562654.db2.gz KPWXCMBGSQQTMJ-SFHVURJKSA-N 0 3 314.404 2.465 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H](C)n2ccnc2)C1 ZINC001494912099 1064572611 /nfs/dbraw/zinc/57/26/11/1064572611.db2.gz DMLDNBPQVWLUDL-JKSUJKDBSA-N 0 3 304.438 2.333 20 30 DEEDHN Cc1nc(C)c(CNC[C@](C)(NC(=O)C#CC2CC2)C2CC2)o1 ZINC001568020194 1064598730 /nfs/dbraw/zinc/59/87/30/1064598730.db2.gz RRKKGRQHMIMUQL-SFHVURJKSA-N 0 3 315.417 2.079 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2cc(C)n(C)n2)CC1 ZINC001568103588 1064648253 /nfs/dbraw/zinc/64/82/53/1064648253.db2.gz XUJSYSUHEIRRHK-WKILWMFISA-N 0 3 316.449 2.049 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CC(C)(C)COC)cc1 ZINC001568118918 1064655062 /nfs/dbraw/zinc/65/50/62/1064655062.db2.gz JLVRKGSEZOSUOK-UHFFFAOYSA-N 0 3 302.418 2.088 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001568116510 1064655483 /nfs/dbraw/zinc/65/54/83/1064655483.db2.gz MTVWXGWCFCGVSF-ASRSSLEJSA-N 0 3 322.836 2.472 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CC)N[C@@H]1CCN(C(C)C)C1=O ZINC001495039950 1064658810 /nfs/dbraw/zinc/65/88/10/1064658810.db2.gz XAFQRGYCGWEHAP-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN Cc1ncoc1C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001568136236 1064665355 /nfs/dbraw/zinc/66/53/55/1064665355.db2.gz MVLJSWQZTAXZCF-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCC(=O)N[C@H](C)CC)CCCC1 ZINC001568239730 1064722563 /nfs/dbraw/zinc/72/25/63/1064722563.db2.gz UCDPGLHMCDQREH-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnn(CC)c2)CCCC1 ZINC001495141412 1064723386 /nfs/dbraw/zinc/72/33/86/1064723386.db2.gz ZZHNVIZYQRDSOU-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C)CC[C@H]2C)c1 ZINC001615643853 1078127982 /nfs/dbraw/zinc/12/79/82/1078127982.db2.gz JOJMZDAOFVSDDP-UONOGXRCSA-N 0 3 313.401 2.436 20 30 DEEDHN C#CCOCCC(=O)N(C)CCN(C)[C@@H](C)c1cccc(C)c1 ZINC001568483148 1064903195 /nfs/dbraw/zinc/90/31/95/1064903195.db2.gz KBFFTWJUJRVRQZ-KRWDZBQOSA-N 0 3 316.445 2.486 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC001568501495 1064916494 /nfs/dbraw/zinc/91/64/94/1064916494.db2.gz OBPDDOKWKAOWJC-KRWDZBQOSA-N 0 3 303.450 2.256 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC001495498290 1064947596 /nfs/dbraw/zinc/94/75/96/1064947596.db2.gz SAJNNVXBBJVTRY-INIZCTEOSA-N 0 3 322.408 2.493 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c[nH]nc1-c1ccoc1 ZINC001568551590 1064959597 /nfs/dbraw/zinc/95/95/97/1064959597.db2.gz KJDPAOUHMOVEAO-UHFFFAOYSA-N 0 3 302.378 2.250 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C1(C)CCC2(CC1)OCCO2 ZINC001568554050 1064961016 /nfs/dbraw/zinc/96/10/16/1064961016.db2.gz HFOJGHQZBJQYRV-UHFFFAOYSA-N 0 3 324.465 2.276 20 30 DEEDHN Cc1cnc([C@H](C)NC[C@@H](C)CNC(=O)C#CC(C)(C)C)cn1 ZINC001495661248 1065039394 /nfs/dbraw/zinc/03/93/94/1065039394.db2.gz LWJBSLWKLDLLLQ-HIFRSBDPSA-N 0 3 316.449 2.237 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](OC)C1CCCC1 ZINC001568702584 1065061117 /nfs/dbraw/zinc/06/11/17/1065061117.db2.gz BLBRJXDLRJWWJL-TZMCWYRMSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1COc2ccccc2O1 ZINC001568705822 1065065712 /nfs/dbraw/zinc/06/57/12/1065065712.db2.gz KVVICNSIKDLIDO-SWLSCSKDSA-N 0 3 324.808 2.063 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C(C)(C)C)nn1C ZINC001618806890 1078159318 /nfs/dbraw/zinc/15/93/18/1078159318.db2.gz IHSZFXLUDISENF-UHFFFAOYSA-N 0 3 306.454 2.298 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)CC(F)(F)F ZINC001568729439 1065083153 /nfs/dbraw/zinc/08/31/53/1065083153.db2.gz JVEUUFPWFRTAQG-UHFFFAOYSA-N 0 3 313.323 2.449 20 30 DEEDHN C=CCC[C@@H]1CCCN1Cc1nc(-c2ccc(OC)nn2)no1 ZINC001620642067 1078165799 /nfs/dbraw/zinc/16/57/99/1078165799.db2.gz FMISDBIBFSEZRC-GFCCVEGCSA-N 0 3 315.377 2.466 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)C#CC(C)C)cc1 ZINC001568847634 1065156334 /nfs/dbraw/zinc/15/63/34/1065156334.db2.gz WIYANAYENGWOHF-SNAWJCMRSA-N 0 3 300.402 2.117 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2cnnn2CC)CCCC1 ZINC001495917398 1065173459 /nfs/dbraw/zinc/17/34/59/1065173459.db2.gz AVAYHRSGAPMGNG-UHFFFAOYSA-N 0 3 319.453 2.173 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1cc(C)cc(Cl)c1 ZINC001568888113 1065174231 /nfs/dbraw/zinc/17/42/31/1065174231.db2.gz KVHUNSQDDBYPRX-ONEGZZNKSA-N 0 3 320.820 2.174 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCC(=C)Cl)CCCC1 ZINC001495944808 1065188261 /nfs/dbraw/zinc/18/82/61/1065188261.db2.gz XZWQBMJJEDTPRH-KGLIPLIRSA-N 0 3 312.841 2.349 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2ncccn2)CCCC1 ZINC001495950609 1065191888 /nfs/dbraw/zinc/19/18/88/1065191888.db2.gz YDBRKNRALHYJAM-UHFFFAOYSA-N 0 3 322.840 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001496025769 1065235136 /nfs/dbraw/zinc/23/51/36/1065235136.db2.gz PPUUXLCUCMSSIT-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001496032724 1065241367 /nfs/dbraw/zinc/24/13/67/1065241367.db2.gz FQNTWJHOQRNBED-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1 ZINC001569115395 1065295874 /nfs/dbraw/zinc/29/58/74/1065295874.db2.gz PYUALHNIFGOEGS-LMOYIVCVSA-N 0 3 316.445 2.463 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)CCn1nc(C)cc1C ZINC001569133896 1065309398 /nfs/dbraw/zinc/30/93/98/1065309398.db2.gz XIPNYJFQMOBOCF-INIZCTEOSA-N 0 3 318.465 2.130 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001569134366 1065312210 /nfs/dbraw/zinc/31/22/10/1065312210.db2.gz AVWOHOCVGVFBSD-GFCCVEGCSA-N 0 3 301.390 2.413 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1cccc(F)c1 ZINC001569140028 1065316190 /nfs/dbraw/zinc/31/61/90/1065316190.db2.gz XUCFRWUHVULLLS-XKQJLSEDSA-N 0 3 320.408 2.353 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)CCc1c(C)noc1C ZINC001569265783 1065403402 /nfs/dbraw/zinc/40/34/02/1065403402.db2.gz IWRQZOFWAMRFLF-UHFFFAOYSA-N 0 3 313.829 2.415 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](CNCc1cncc(F)c1)C1CC1 ZINC001569315178 1065424395 /nfs/dbraw/zinc/42/43/95/1065424395.db2.gz UMECOGWEZOZBJE-KRWDZBQOSA-N 0 3 317.408 2.399 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001496358204 1065425814 /nfs/dbraw/zinc/42/58/14/1065425814.db2.gz ONPVZNPHRMURHW-OCCSQVGLSA-N 0 3 319.453 2.042 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001569383731 1065478223 /nfs/dbraw/zinc/47/82/23/1065478223.db2.gz WWBWLLYNOLBACV-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN COc1cc(CNC2(CNC(=O)C#CC(C)C)CC2)ccc1C ZINC001569398799 1065489493 /nfs/dbraw/zinc/48/94/93/1065489493.db2.gz QHFVOZJSDLECLB-UHFFFAOYSA-N 0 3 314.429 2.401 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1cnc(Cl)s1 ZINC001496533535 1065540689 /nfs/dbraw/zinc/54/06/89/1065540689.db2.gz HFUVZWXQXPLKBB-MWLCHTKSSA-N 0 3 314.842 2.187 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCc1cnnn1CC)C(C)C ZINC001496588984 1065579419 /nfs/dbraw/zinc/57/94/19/1065579419.db2.gz CSMLWDBMKYBGTA-OAHLLOKOSA-N 0 3 321.469 2.131 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)N(CC)CC ZINC001569556677 1065590575 /nfs/dbraw/zinc/59/05/75/1065590575.db2.gz DWNMUMLQKVJSMZ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C(=O)c1c[nH]c2ncccc12)C1CCN(CC=C)CC1 ZINC001569596320 1065614635 /nfs/dbraw/zinc/61/46/35/1065614635.db2.gz WHVCVGFTWDTUFL-UHFFFAOYSA-N 0 3 322.412 2.289 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2ccccc2Cl)C1 ZINC001569653675 1065651287 /nfs/dbraw/zinc/65/12/87/1065651287.db2.gz RWXZTGSJNBQSDY-MRXNPFEDSA-N 0 3 308.809 2.485 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNCc2nccnc2C)C1 ZINC001569671916 1065662416 /nfs/dbraw/zinc/66/24/16/1065662416.db2.gz XGEXEYGDDHUQLP-GOSISDBHSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCCCC(=O)N1CC[C@](C)(CNCc2ccn(C)n2)C1 ZINC001569681330 1065668551 /nfs/dbraw/zinc/66/85/51/1065668551.db2.gz JDESPGQZGJKDDU-QGZVFWFLSA-N 0 3 304.438 2.105 20 30 DEEDHN C=CCCC(=O)NC[C@]1(O)CCN(C/C=C/c2ccccc2)C1 ZINC001569744757 1065702995 /nfs/dbraw/zinc/70/29/95/1065702995.db2.gz FOVZRRBLVQKCBP-QPGLYAHGSA-N 0 3 314.429 2.219 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)CCn1cccc1 ZINC001569871044 1065781607 /nfs/dbraw/zinc/78/16/07/1065781607.db2.gz SYSNZOZBDVXEHM-UHFFFAOYSA-N 0 3 309.413 2.130 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)c2ccoc2CC)C1 ZINC001569893356 1065796467 /nfs/dbraw/zinc/79/64/67/1065796467.db2.gz DLLPMASLPSXPIG-SFHVURJKSA-N 0 3 320.433 2.365 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CCN[C@H](C)c2cnccn2)C1 ZINC001569969859 1065849183 /nfs/dbraw/zinc/84/91/83/1065849183.db2.gz IDFUHEUBGMQEHU-CABCVRRESA-N 0 3 302.422 2.332 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCCn2ccnc2)cc1 ZINC001570033542 1065893853 /nfs/dbraw/zinc/89/38/53/1065893853.db2.gz WJZZPEPTFGVSTM-INIZCTEOSA-N 0 3 324.428 2.264 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](CC(C)C)n2ccnc2)CCC1 ZINC001570108209 1065926600 /nfs/dbraw/zinc/92/66/00/1065926600.db2.gz NXEOCFKUEJTEDV-INIZCTEOSA-N 0 3 316.449 2.122 20 30 DEEDHN CC[C@H]1CCC[C@@]1(C)C(=O)NCC1(NCC#CCOC)CCC1 ZINC001570108944 1065928477 /nfs/dbraw/zinc/92/84/77/1065928477.db2.gz BTTHLFWFRVJBGZ-FUHWJXTLSA-N 0 3 320.477 2.481 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2CCO[C@H](CCC)C2)CCC1 ZINC001570122256 1065933514 /nfs/dbraw/zinc/93/35/14/1065933514.db2.gz GGUMBCQEHDMRLO-HZPDHXFCSA-N 0 3 306.450 2.234 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@@H](CNCc2ncccc2C)C1 ZINC001570150975 1065941676 /nfs/dbraw/zinc/94/16/76/1065941676.db2.gz CFNAQPKPXDLQIM-INIZCTEOSA-N 0 3 317.433 2.063 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001570165749 1065946044 /nfs/dbraw/zinc/94/60/44/1065946044.db2.gz QMMMEPGFBCHWQP-QGZVFWFLSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001570177589 1065955051 /nfs/dbraw/zinc/95/50/51/1065955051.db2.gz ORVQVDHZVORLPY-GOSISDBHSA-N 0 3 318.461 2.375 20 30 DEEDHN C=C[C@@H](O)C(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001627552981 1078278506 /nfs/dbraw/zinc/27/85/06/1078278506.db2.gz FIERVMAGFWOCTI-QZTJIDSGSA-N 0 3 316.445 2.437 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001570291400 1066005323 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C#CCNCCN(CC)C(=O)c1cnc(-c2ccco2)s1 ZINC001497487247 1066113154 /nfs/dbraw/zinc/11/31/54/1066113154.db2.gz ZXRXHEYREONXDV-UHFFFAOYSA-N 0 3 303.387 2.088 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001497601019 1066185524 /nfs/dbraw/zinc/18/55/24/1066185524.db2.gz OGNKBJBBTUCDOY-FPLPWBNLSA-N 0 3 317.433 2.190 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001497621932 1066193910 /nfs/dbraw/zinc/19/39/10/1066193910.db2.gz STLDJGOAZIEJCW-KTKRTIGZSA-N 0 3 316.449 2.452 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC001497645169 1066206885 /nfs/dbraw/zinc/20/68/85/1066206885.db2.gz RTVFWFSDAOEZGH-ONEGZZNKSA-N 0 3 300.377 2.143 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)Cc2ccco2)c1 ZINC001497706545 1066254485 /nfs/dbraw/zinc/25/44/85/1066254485.db2.gz PGRRKXLZXSTNFI-OWOJBTEDSA-N 0 3 309.369 2.156 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)Cc2ccco2)c1 ZINC001497706547 1066254851 /nfs/dbraw/zinc/25/48/51/1066254851.db2.gz PGRRKXLZXSTNFI-UPHRSURJSA-N 0 3 309.369 2.156 20 30 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DEEDHN CC(C)(C)[C@@H](N)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001573457079 1068202764 /nfs/dbraw/zinc/20/27/64/1068202764.db2.gz AVOXGGJXLODZDG-INIZCTEOSA-N 0 3 315.417 2.301 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cn2ccnc2C)CCCCC1 ZINC001409786166 1078666767 /nfs/dbraw/zinc/66/67/67/1078666767.db2.gz OTCMNXMAQAGXQV-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001571379873 1068261990 /nfs/dbraw/zinc/26/19/90/1068261990.db2.gz DRPYYQTWHKFGLO-HUUCEWRRSA-N 0 3 320.408 2.039 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CO)NCc1c(C)cccc1C ZINC001571436478 1068292424 /nfs/dbraw/zinc/29/24/24/1068292424.db2.gz AZZXPQFKXYODBI-MRXNPFEDSA-N 0 3 318.461 2.472 20 30 DEEDHN CCN(CCNC(=O)C#CC1CC1)CCO[C@@H]1CCCC[C@@H]1C ZINC001267241078 1078691740 /nfs/dbraw/zinc/69/17/40/1078691740.db2.gz JPOCEBIEXLCOIV-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3ccccc3)n2)C1 ZINC001571487804 1068343648 /nfs/dbraw/zinc/34/36/48/1068343648.db2.gz 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C=CCCCN1CC[C@@H]1CNC(=O)CCc1c(C)noc1C ZINC001483700960 1078820717 /nfs/dbraw/zinc/82/07/17/1078820717.db2.gz KDRXWNXKWHCHGF-OAHLLOKOSA-N 0 3 305.422 2.381 20 30 DEEDHN C[C@@H](N)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC001573552684 1069037427 /nfs/dbraw/zinc/03/74/27/1069037427.db2.gz HGOCMMMAQOHOEL-LLVKDONJSA-N 0 3 311.389 2.327 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1CC ZINC001519961349 1069085767 /nfs/dbraw/zinc/08/57/67/1069085767.db2.gz WLSNQIWXKZOBPY-UXLLHSPISA-N 0 3 323.481 2.035 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)CC3CC3)CC2)cc1C#N ZINC001483711947 1078843857 /nfs/dbraw/zinc/84/38/57/1078843857.db2.gz MJLWEHPLYPSBCL-UHFFFAOYSA-N 0 3 313.401 2.105 20 30 DEEDHN CC(C)(F)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001483712075 1078844310 /nfs/dbraw/zinc/84/43/10/1078844310.db2.gz PXOSBYCRUNEPJZ-UHFFFAOYSA-N 0 3 307.344 2.184 20 30 DEEDHN N#CCOc1ccc(CNC2(CNC(=O)CC3CC3)CC2)cc1 ZINC001483711983 1078844449 /nfs/dbraw/zinc/84/44/49/1078844449.db2.gz 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/nfs/dbraw/zinc/35/37/85/1075353785.db2.gz QOEGYHCGVZNRLM-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCOCC(C)C)C1 ZINC001566825552 1075355103 /nfs/dbraw/zinc/35/51/03/1075355103.db2.gz XJDKGOYDCVPBEM-QZTJIDSGSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001566833507 1075356743 /nfs/dbraw/zinc/35/67/43/1075356743.db2.gz MFGVXVYRAIETHC-BNOWGMLFSA-N 0 3 324.371 2.465 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001566839005 1075358275 /nfs/dbraw/zinc/35/82/75/1075358275.db2.gz JVXDUVNTWKJCLL-SOUVJXGZSA-N 0 3 318.392 2.163 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001566852024 1075362408 /nfs/dbraw/zinc/36/24/08/1075362408.db2.gz IQKUJSAWYBRQFC-CNXAATOLSA-N 0 3 305.426 2.013 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1)[C@H]1CC12CC2 ZINC001566853009 1075362646 /nfs/dbraw/zinc/36/26/46/1075362646.db2.gz PABJRYMYSJIGIG-IXDOHACOSA-N 0 3 312.388 2.214 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1cnccc1C ZINC001566918745 1075385928 /nfs/dbraw/zinc/38/59/28/1075385928.db2.gz WXMCTGHHWAKTFH-INIZCTEOSA-N 0 3 317.433 2.177 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCc1cc(C)on1 ZINC001566926236 1075389439 /nfs/dbraw/zinc/38/94/39/1075389439.db2.gz ZDGMRTOVZZCHBW-INIZCTEOSA-N 0 3 305.422 2.462 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CCOC)CCC1 ZINC001267717225 1079405613 /nfs/dbraw/zinc/40/56/13/1079405613.db2.gz WLIRPSBWNTVRBQ-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)CCCOc1ccccc1C ZINC001567041955 1075421298 /nfs/dbraw/zinc/42/12/98/1075421298.db2.gz ILRZMGHNFPDLCB-INIZCTEOSA-N 0 3 302.418 2.272 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NCc1cc(C)ccc1F ZINC001567053858 1075423488 /nfs/dbraw/zinc/42/34/88/1075423488.db2.gz FVBLCMOZJUHUFO-UNEWFSDZSA-N 0 3 320.408 2.320 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cscc1C(F)(F)F ZINC001567086136 1075429337 /nfs/dbraw/zinc/42/93/37/1075429337.db2.gz YQFWUFRBVGCZBV-VIFPVBQESA-N 0 3 304.337 2.498 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H](NCc2cc(OC)no2)C1 ZINC001567163873 1075449556 /nfs/dbraw/zinc/44/95/56/1075449556.db2.gz ZLUYHNWDRFGIIA-QWHCGFSZSA-N 0 3 307.394 2.166 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CCC[C@@H](N(C)CC#C)C2)cc1 ZINC001567192015 1075458959 /nfs/dbraw/zinc/45/89/59/1075458959.db2.gz RUPTZMNAURGJLF-GOSISDBHSA-N 0 3 324.424 2.258 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001567193259 1075459927 /nfs/dbraw/zinc/45/99/27/1075459927.db2.gz QMBVUAJHWWCMMT-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2nc(C)n3ccccc23)C1 ZINC001567195882 1075460361 /nfs/dbraw/zinc/46/03/61/1075460361.db2.gz VGKHNAAWGCLTHB-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN Cc1ncc(CN(C)CC2CCN(C(=O)C#CC(C)C)CC2)o1 ZINC001267729547 1079420988 /nfs/dbraw/zinc/42/09/88/1079420988.db2.gz AHHRQFCHRZXKCC-UHFFFAOYSA-N 0 3 317.433 2.313 20 30 DEEDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C#CC(C)(C)C ZINC001481228790 1079437820 /nfs/dbraw/zinc/43/78/20/1079437820.db2.gz GDMWARXSHDYKQS-UHFFFAOYSA-N 0 3 317.389 2.192 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001267762466 1079465514 /nfs/dbraw/zinc/46/55/14/1079465514.db2.gz QNXSSWFAICUOKE-HOTGVXAUSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)COCc2ccccc2C)C1 ZINC001267772577 1079480779 /nfs/dbraw/zinc/48/07/79/1079480779.db2.gz DQYUOLSRHSNDPT-SFHVURJKSA-N 0 3 314.429 2.068 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)CCNC(=O)[C@H]1CCCCN1CC ZINC001580838961 1076006817 /nfs/dbraw/zinc/00/68/17/1076006817.db2.gz XCVZRLFHHXTHNK-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](C)(CNC(=O)CN(C)CCC)C1 ZINC001586174169 1076392494 /nfs/dbraw/zinc/39/24/94/1076392494.db2.gz NJWKZHHCTOJCET-SFHVURJKSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588335749 1076442023 /nfs/dbraw/zinc/44/20/23/1076442023.db2.gz WKBKEVRPPLVENP-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588335749 1076442028 /nfs/dbraw/zinc/44/20/28/1076442028.db2.gz WKBKEVRPPLVENP-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588335749 1076442030 /nfs/dbraw/zinc/44/20/30/1076442030.db2.gz WKBKEVRPPLVENP-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588335749 1076442031 /nfs/dbraw/zinc/44/20/31/1076442031.db2.gz WKBKEVRPPLVENP-CYBMUJFWSA-N 0 3 311.389 2.111 20 30 DEEDHN C#CCCCNc1cc(C)[nH+]c(NCCCC#C)c1-c1nnn[n-]1 ZINC001588345362 1076443288 /nfs/dbraw/zinc/44/32/88/1076443288.db2.gz ASTLFUIZCFOKLQ-UHFFFAOYSA-N 0 3 323.404 2.221 20 30 DEEDHN C#CCCCNc1cc(C)[nH+]c(NCCCC#C)c1-c1nn[n-]n1 ZINC001588345362 1076443290 /nfs/dbraw/zinc/44/32/90/1076443290.db2.gz ASTLFUIZCFOKLQ-UHFFFAOYSA-N 0 3 323.404 2.221 20 30 DEEDHN C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588559565 1076454053 /nfs/dbraw/zinc/45/40/53/1076454053.db2.gz KHFROKBGXWISDM-CZUORRHYSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588559565 1076454057 /nfs/dbraw/zinc/45/40/57/1076454057.db2.gz KHFROKBGXWISDM-CZUORRHYSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559565 1076454060 /nfs/dbraw/zinc/45/40/60/1076454060.db2.gz KHFROKBGXWISDM-CZUORRHYSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559565 1076454064 /nfs/dbraw/zinc/45/40/64/1076454064.db2.gz KHFROKBGXWISDM-CZUORRHYSA-N 0 3 313.405 2.188 20 30 DEEDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589134735 1076477996 /nfs/dbraw/zinc/47/79/96/1076477996.db2.gz HECPQFZAGXUFCB-LBPRGKRZSA-N 0 3 311.393 2.023 20 30 DEEDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589134735 1076478000 /nfs/dbraw/zinc/47/80/00/1076478000.db2.gz HECPQFZAGXUFCB-LBPRGKRZSA-N 0 3 311.393 2.023 20 30 DEEDHN CC(C)(C)[N@@H+]1CC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589134735 1076478004 /nfs/dbraw/zinc/47/80/04/1076478004.db2.gz HECPQFZAGXUFCB-LBPRGKRZSA-N 0 3 311.393 2.023 20 30 DEEDHN CC(C)(C)[N@H+]1CC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589134735 1076478006 /nfs/dbraw/zinc/47/80/06/1076478006.db2.gz HECPQFZAGXUFCB-LBPRGKRZSA-N 0 3 311.393 2.023 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609050897 1077748651 /nfs/dbraw/zinc/74/86/51/1077748651.db2.gz HDONUUGOACSIRD-ZBFHGGJFSA-N 0 3 313.405 2.246 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609050897 1077748658 /nfs/dbraw/zinc/74/86/58/1077748658.db2.gz HDONUUGOACSIRD-ZBFHGGJFSA-N 0 3 313.405 2.246 20 30 DEEDHN CC[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001609190938 1077791869 /nfs/dbraw/zinc/79/18/69/1077791869.db2.gz ZYVODUIRSJXTTF-CYBMUJFWSA-N 0 3 311.393 2.025 20 30 DEEDHN CC[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001609190938 1077791871 /nfs/dbraw/zinc/79/18/71/1077791871.db2.gz ZYVODUIRSJXTTF-CYBMUJFWSA-N 0 3 311.393 2.025 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1CC ZINC001484322557 1079538244 /nfs/dbraw/zinc/53/82/44/1079538244.db2.gz AFZNZWMPLKZJBM-ROUUACIJSA-N 0 3 314.429 2.198 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](C)[C@@H](CNCc2ocnc2C)C1 ZINC001484375060 1079574040 /nfs/dbraw/zinc/57/40/40/1079574040.db2.gz FOMZTYPFSJNJFG-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cnc(C3CC3)nc2)cc1 ZINC001267939645 1079619568 /nfs/dbraw/zinc/61/95/68/1079619568.db2.gz QQMLCKXFYUFBBJ-UHFFFAOYSA-N 0 3 320.396 2.007 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cccc(N(C)C)c2)cc1 ZINC001267940404 1079621079 /nfs/dbraw/zinc/62/10/79/1079621079.db2.gz KKQRXLIVLHVRLG-UHFFFAOYSA-N 0 3 321.424 2.405 20 30 DEEDHN Cn1nc(C2CC2)cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC001650442373 1079627918 /nfs/dbraw/zinc/62/79/18/1079627918.db2.gz PZJRKMDEEHXBMN-GFCCVEGCSA-N 0 3 324.388 2.105 20 30 DEEDHN C#CCCCCCC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001267960637 1079641879 /nfs/dbraw/zinc/64/18/79/1079641879.db2.gz KIEDCPFCFSUUOO-QGZVFWFLSA-N 0 3 316.449 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1cnc(C)cn1 ZINC001267998509 1079678736 /nfs/dbraw/zinc/67/87/36/1079678736.db2.gz JTWYCVLIPWPLEE-CYBMUJFWSA-N 0 3 304.438 2.229 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CCO1 ZINC001484690038 1079723703 /nfs/dbraw/zinc/72/37/03/1079723703.db2.gz KUGRAEGODXGKTO-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@@H](CNCc2cnc(C)s2)C1 ZINC001484686660 1079727329 /nfs/dbraw/zinc/72/73/29/1079727329.db2.gz AGIJUELFQDEPFI-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001484703371 1079729024 /nfs/dbraw/zinc/72/90/24/1079729024.db2.gz GNGMZBPACRGOQG-QGZVFWFLSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1coc(OC)n1)c1ccccc1 ZINC001481369428 1079762530 /nfs/dbraw/zinc/76/25/30/1079762530.db2.gz SSFORGGSUNBDAH-CQSZACIVSA-N 0 3 315.373 2.320 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001484745682 1079765490 /nfs/dbraw/zinc/76/54/90/1079765490.db2.gz OZJQDWXDPMCEAN-KRWDZBQOSA-N 0 3 314.429 2.139 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001484768906 1079794237 /nfs/dbraw/zinc/79/42/37/1079794237.db2.gz JRHKRIQTQQMKMI-UHFFFAOYSA-N 0 3 302.340 2.133 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001484822297 1079815906 /nfs/dbraw/zinc/81/59/06/1079815906.db2.gz OGFIGDODBMZPLU-PKOBYXMFSA-N 0 3 316.445 2.265 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001481422542 1079821565 /nfs/dbraw/zinc/82/15/65/1079821565.db2.gz JODXYYNGYPEPCC-FUHWJXTLSA-N 0 3 309.413 2.026 20 30 DEEDHN C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1NCC#Cc1ccccc1 ZINC001484888863 1079839440 /nfs/dbraw/zinc/83/94/40/1079839440.db2.gz JRORXBYLECZTAJ-YJBOKZPZSA-N 0 3 307.397 2.117 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C2CCC=CCC2)CC1 ZINC001485026986 1079920122 /nfs/dbraw/zinc/92/01/22/1079920122.db2.gz KAFCGXAAGSLJEG-UHFFFAOYSA-N 0 3 306.450 2.252 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccnn2C)CC1 ZINC001485029307 1079922626 /nfs/dbraw/zinc/92/26/26/1079922626.db2.gz NLBOVTFMYMHGDU-UHFFFAOYSA-N 0 3 324.856 2.347 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CN(C)[C@@H](C)c2cnccn2)C1 ZINC001481481013 1079935247 /nfs/dbraw/zinc/93/52/47/1079935247.db2.gz ZADOETNRPVPVSA-GJZGRUSLSA-N 0 3 302.422 2.284 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC001485049630 1079938173 /nfs/dbraw/zinc/93/81/73/1079938173.db2.gz GOFJGBLIZCBOIM-KRWDZBQOSA-N 0 3 320.408 2.451 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CN(C)CCO[C@H]1CC1(F)F ZINC001485051434 1079939915 /nfs/dbraw/zinc/93/99/15/1079939915.db2.gz WHNKYGWMEVTXNU-KBPBESRZSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCC[C@@H]1CCCN1CCNS(=O)(=O)c1ccccc1 ZINC001654996907 1079982615 /nfs/dbraw/zinc/98/26/15/1079982615.db2.gz LZUWMNGWTLRYAA-OAHLLOKOSA-N 0 3 308.447 2.396 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001481535977 1080019285 /nfs/dbraw/zinc/01/92/85/1080019285.db2.gz QTEJFAKERLQKAO-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNCc2cnn(C)c2)CC1 ZINC001268082956 1080036892 /nfs/dbraw/zinc/03/68/92/1080036892.db2.gz HGYQHUWDPCMQJE-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001656779648 1080123287 /nfs/dbraw/zinc/12/32/87/1080123287.db2.gz FKKAKOAHGBZOLL-XWTMOSNGSA-N 0 3 320.477 2.284 20 30 DEEDHN C#CCC[C@H](O)CNCc1c(C(C)C)nc2sc(C)nn21 ZINC001656882448 1080133839 /nfs/dbraw/zinc/13/38/39/1080133839.db2.gz WTAILOMSAWYJJD-LBPRGKRZSA-N 0 3 306.435 2.087 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2cnn(CC)c2)[C@@H]1C ZINC001656988075 1080145144 /nfs/dbraw/zinc/14/51/44/1080145144.db2.gz XUNJALUZQQXHNZ-ZBFHGGJFSA-N 0 3 318.465 2.237 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)N(C)CC ZINC001268184491 1080175121 /nfs/dbraw/zinc/17/51/21/1080175121.db2.gz BBOHBPDRFDIJBU-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCc2cccc(Cl)c2)C1 ZINC001481637673 1080193480 /nfs/dbraw/zinc/19/34/80/1080193480.db2.gz NQZDYVMOWYWLNA-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](N[C@H](C)c2n[nH]c(C)n2)C(C)C)C1 ZINC001268215901 1080200121 /nfs/dbraw/zinc/20/01/21/1080200121.db2.gz CQOYBEAEUJVMAD-TZMCWYRMSA-N 0 3 319.453 2.261 20 30 DEEDHN Cc1conc1CN[C@H](CCN(C)C(=O)[C@@H](C)C#N)C(C)C ZINC001485430242 1080212570 /nfs/dbraw/zinc/21/25/70/1080212570.db2.gz ZXRXAWOWDPLTHW-GXTWGEPZSA-N 0 3 306.410 2.105 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2CN(CC/C=C/CCC)C2)c1 ZINC001481645231 1080216989 /nfs/dbraw/zinc/21/69/89/1080216989.db2.gz HQEXCAFAKYYJDL-VOTSOKGWSA-N 0 3 311.429 2.471 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CCCC)CNCC(=O)N(C)C)CC1 ZINC001485467876 1080224521 /nfs/dbraw/zinc/22/45/21/1080224521.db2.gz DOBJVWAKAIDSRU-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1CCCCC[C@H]1CNC(=O)c1ncoc1C ZINC001485473379 1080236988 /nfs/dbraw/zinc/23/69/88/1080236988.db2.gz CJSDRSUKGPWHMB-HNNXBMFYSA-N 0 3 321.421 2.160 20 30 DEEDHN CCCCCC(=O)N1CC[C@@H]2[C@H](CCN2CC#CCOC)C1 ZINC001268261501 1080240524 /nfs/dbraw/zinc/24/05/24/1080240524.db2.gz DLNHLOGWSRQFCZ-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCCN([O-])C1=O ZINC001660167862 1080281162 /nfs/dbraw/zinc/28/11/62/1080281162.db2.gz VMZHKBBTAZCSBX-GUYCJALGSA-N 0 3 302.418 2.466 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CC(F)(F)C(F)F)C(C)(C)C1 ZINC001485575340 1080317572 /nfs/dbraw/zinc/31/75/72/1080317572.db2.gz KILOFGGKZCHDPW-SNVBAGLBSA-N 0 3 308.319 2.127 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C(F)F)CC2)C(C)(C)C1 ZINC001485569211 1080301869 /nfs/dbraw/zinc/30/18/69/1080301869.db2.gz JMBNNQXZLPNPEY-GFCCVEGCSA-N 0 3 316.392 2.061 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001481702129 1080321500 /nfs/dbraw/zinc/32/15/00/1080321500.db2.gz FTEFTZMJZSPWJH-GOSISDBHSA-N 0 3 314.429 2.034 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccns1 ZINC001660433178 1080331798 /nfs/dbraw/zinc/33/17/98/1080331798.db2.gz SIMBILRDYXAPEW-HIFRSBDPSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]([C@H](C)NCc2cc(C)ns2)C1 ZINC001485637163 1080336556 /nfs/dbraw/zinc/33/65/56/1080336556.db2.gz PXEHKLHFXFSKBM-ZFWWWQNUSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2)C1 ZINC001481711654 1080347042 /nfs/dbraw/zinc/34/70/42/1080347042.db2.gz NANJJMOXJTYIHO-MRXNPFEDSA-N 0 3 306.381 2.175 20 30 DEEDHN C=CCOCCN1CCCC2(CN(C(=O)c3coc(C)c3)C2)C1 ZINC001485662310 1080352138 /nfs/dbraw/zinc/35/21/38/1080352138.db2.gz GERRRELGFLWHAB-UHFFFAOYSA-N 0 3 318.417 2.329 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001485697075 1080380841 /nfs/dbraw/zinc/38/08/41/1080380841.db2.gz XAVWQULCJRONJH-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN COCC#CCN(CCCNC(=O)c1ccc(C)cc1)C1CC1 ZINC001660749423 1080391464 /nfs/dbraw/zinc/39/14/64/1080391464.db2.gz NAPRKTLUXOMPEC-UHFFFAOYSA-N 0 3 314.429 2.229 20 30 DEEDHN Cc1nocc1CNCCC[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001485722564 1080392170 /nfs/dbraw/zinc/39/21/70/1080392170.db2.gz NBYBVMRIVATGQQ-CYBMUJFWSA-N 0 3 305.422 2.407 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)CCC2CCC2)CC1 ZINC001660876019 1080411342 /nfs/dbraw/zinc/41/13/42/1080411342.db2.gz JLDVIDOKYMOEAN-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](CN[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC001485811987 1080469455 /nfs/dbraw/zinc/46/94/55/1080469455.db2.gz XKTRTRFFXCGGDP-IUODEOHRSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001661431539 1080481256 /nfs/dbraw/zinc/48/12/56/1080481256.db2.gz OURUXSOVLYZHJZ-MGPQQGTHSA-N 0 3 300.830 2.347 20 30 DEEDHN C=CCOCC(=O)NCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001124777648 1080493150 /nfs/dbraw/zinc/49/31/50/1080493150.db2.gz FNCKDQOEDSZCBB-LLVKDONJSA-N 0 3 314.788 2.449 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001661636158 1080501325 /nfs/dbraw/zinc/50/13/25/1080501325.db2.gz DZTAGLWGNCOSFS-PHIMTYICSA-N 0 3 309.435 2.101 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(Cl)c(Cl)n1C ZINC001268456647 1080515285 /nfs/dbraw/zinc/51/52/85/1080515285.db2.gz LGVFYBOANNJAOD-UHFFFAOYSA-N 0 3 316.232 2.407 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001661871132 1080537866 /nfs/dbraw/zinc/53/78/66/1080537866.db2.gz LHWHTAMKAIKBGG-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cn1ncc2ccccc21 ZINC001661886445 1080539708 /nfs/dbraw/zinc/53/97/08/1080539708.db2.gz UZUJPFNJVNURJS-INIZCTEOSA-N 0 3 312.417 2.193 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001662564815 1080615700 /nfs/dbraw/zinc/61/57/00/1080615700.db2.gz QKLILUOTLSTWHF-INIZCTEOSA-N 0 3 302.393 2.317 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC001662844585 1080665998 /nfs/dbraw/zinc/66/59/98/1080665998.db2.gz HYMZXLNHBQKQIW-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3nccnc3C)CC2)C1=O ZINC001272747065 1080675527 /nfs/dbraw/zinc/67/55/27/1080675527.db2.gz ZRSIINBYVJQFFB-GOSISDBHSA-N 0 3 314.433 2.176 20 30 DEEDHN Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)c(C)s1 ZINC001482011944 1080686229 /nfs/dbraw/zinc/68/62/29/1080686229.db2.gz BCCDABZBBRYKSE-LERXQTSPSA-N 0 3 320.462 2.437 20 30 DEEDHN C[C@@H](NC/C=C/CNC(=O)CSCC#N)c1cccc(F)c1 ZINC001268512759 1080698467 /nfs/dbraw/zinc/69/84/67/1080698467.db2.gz HJIQRKKPHXAQIA-YWVDXFKGSA-N 0 3 321.421 2.405 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCC1CCN([C@H](CC)C(N)=O)CC1 ZINC001482048132 1080743145 /nfs/dbraw/zinc/74/31/45/1080743145.db2.gz FSSFTMOUUKSXSV-OAHLLOKOSA-N 0 3 323.481 2.071 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1CCc1cnn(CC)c1 ZINC001663518677 1080764755 /nfs/dbraw/zinc/76/47/55/1080764755.db2.gz JSGAVGDEBOAWEV-INIZCTEOSA-N 0 3 318.465 2.238 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](CC)OC1CCCC1 ZINC001663528268 1080768556 /nfs/dbraw/zinc/76/85/56/1080768556.db2.gz NGEUIEGDPCLMQD-RDJZCZTQSA-N 0 3 306.450 2.328 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)C(C)(F)F ZINC001482073302 1080779504 /nfs/dbraw/zinc/77/95/04/1080779504.db2.gz NRHGPJOHDNGZSN-JTQLQIEISA-N 0 3 313.323 2.194 20 30 DEEDHN CCCCC1(C(=O)NC[C@H]2CCN(CC#CCOC)C2)CC1 ZINC001663619544 1080790697 /nfs/dbraw/zinc/79/06/97/1080790697.db2.gz CAYRGRPMUASPSI-MRXNPFEDSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1COc2ccccc2C1)C1CC1 ZINC001663734673 1080809204 /nfs/dbraw/zinc/80/92/04/1080809204.db2.gz CSOJVQLYESXASU-HNNXBMFYSA-N 0 3 300.402 2.004 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2)C1CC1 ZINC001663731503 1080809842 /nfs/dbraw/zinc/80/98/42/1080809842.db2.gz YXCARFUKKMQEKY-AWEZNQCLSA-N 0 3 316.449 2.236 20 30 DEEDHN COc1ccc(CNC/C=C/CNC(=O)C(C)(C)C)cc1C#N ZINC001268615874 1080895374 /nfs/dbraw/zinc/89/53/74/1080895374.db2.gz HRPFCVMVXOXMQK-AATRIKPKSA-N 0 3 315.417 2.375 20 30 DEEDHN COC[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001268640304 1080910265 /nfs/dbraw/zinc/91/02/65/1080910265.db2.gz REUDGRSYSVMWER-ZIAGYGMSSA-N 0 3 322.836 2.068 20 30 DEEDHN C[C@H](CNCc1ccc(Cl)c(F)c1)NC(=O)C#CC1CC1 ZINC001268645188 1080914580 /nfs/dbraw/zinc/91/45/80/1080914580.db2.gz VSYLKHAHZSRVHI-LLVKDONJSA-N 0 3 308.784 2.487 20 30 DEEDHN CC(C)N(CCCNC(=O)C#CC1CC1)Cc1cncs1 ZINC001664505712 1080918107 /nfs/dbraw/zinc/91/81/07/1080918107.db2.gz LQWYORIWGOOXRI-UHFFFAOYSA-N 0 3 305.447 2.273 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001664730587 1080951327 /nfs/dbraw/zinc/95/13/27/1080951327.db2.gz GOZMTYPVZCOJHF-OAHLLOKOSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(CC#CCOC)C1 ZINC001664734856 1080952333 /nfs/dbraw/zinc/95/23/33/1080952333.db2.gz KXYCYSRQLSUXJP-IAGOWNOFSA-N 0 3 306.450 2.067 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC001664830534 1080967127 /nfs/dbraw/zinc/96/71/27/1080967127.db2.gz VMBZCTZATBWVPY-CVEARBPZSA-N 0 3 318.465 2.303 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNCc1ccn(C)n1 ZINC001268761118 1080974874 /nfs/dbraw/zinc/97/48/74/1080974874.db2.gz ALXFTBZPLWNWSP-HOCLYGCPSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001268800768 1080998253 /nfs/dbraw/zinc/99/82/53/1080998253.db2.gz RPNPHBZHTHYMBM-UHFFFAOYSA-N 0 3 312.845 2.117 20 30 DEEDHN C#CCCN1CC(CNC(=O)COc2ccc(C(C)C)cc2)C1 ZINC001665309565 1081012080 /nfs/dbraw/zinc/01/20/80/1081012080.db2.gz YRGGKEFMMPZQIM-UHFFFAOYSA-N 0 3 314.429 2.260 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001665545647 1081038776 /nfs/dbraw/zinc/03/87/76/1081038776.db2.gz IQZRLGCXQQYECP-LSDHHAIUSA-N 0 3 304.438 2.163 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCOc2ccc(F)cc2)C1 ZINC001665659166 1081056822 /nfs/dbraw/zinc/05/68/22/1081056822.db2.gz JAVORNRJIHWIER-OAHLLOKOSA-N 0 3 306.381 2.313 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001268955807 1081057797 /nfs/dbraw/zinc/05/77/97/1081057797.db2.gz OFRZHNPFKOYDMB-NXOAAHMSSA-N 0 3 304.434 2.053 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCOC1 ZINC001268959721 1081063115 /nfs/dbraw/zinc/06/31/15/1081063115.db2.gz GGCWPQNDMVHVLO-SQNIBIBYSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCC(=O)N1CCCC[C@@H]1C ZINC001665828226 1081086371 /nfs/dbraw/zinc/08/63/71/1081086371.db2.gz LCNYSGZZXISECW-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001269046359 1081096970 /nfs/dbraw/zinc/09/69/70/1081096970.db2.gz HDEAQHONQWGDQO-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN Cc1nc(CNC[C@@H](C)CNC(=O)C#CC2CC2)c(C)s1 ZINC001666547401 1081161681 /nfs/dbraw/zinc/16/16/81/1081161681.db2.gz VWCUWXUCMHZLOF-LLVKDONJSA-N 0 3 305.447 2.015 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)CN[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001666616269 1081166833 /nfs/dbraw/zinc/16/68/33/1081166833.db2.gz PVXWLWCXYHISRN-OLZOCXBDSA-N 0 3 319.453 2.262 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)CNCc2ccc(OC)nc2)C1 ZINC001666988434 1081200842 /nfs/dbraw/zinc/20/08/42/1081200842.db2.gz XVGZPAVTTMEKIM-AWEZNQCLSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001269356547 1081226051 /nfs/dbraw/zinc/22/60/51/1081226051.db2.gz SBFMRMVQODXSDM-DZGCQCFKSA-N 0 3 316.449 2.456 20 30 DEEDHN CC[C@@H](CNC(=O)CCOC)NCC#Cc1cccc(Cl)c1 ZINC001269360426 1081228014 /nfs/dbraw/zinc/22/80/14/1081228014.db2.gz APWZTISNXACTDW-INIZCTEOSA-N 0 3 322.836 2.212 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1cc(C)nn1C ZINC001667233712 1081228122 /nfs/dbraw/zinc/22/81/22/1081228122.db2.gz VORVTXLMGDKBKP-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1ccc(C#N)s1 ZINC001269403123 1081239019 /nfs/dbraw/zinc/23/90/19/1081239019.db2.gz TZZKBPDRWSSHQC-ZDUSSCGKSA-N 0 3 303.431 2.264 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cnc(C)nc1)C(C)C ZINC001667483889 1081256421 /nfs/dbraw/zinc/25/64/21/1081256421.db2.gz OVUVBRRZSRATSN-OAHLLOKOSA-N 0 3 304.438 2.228 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1ccc(C)cc1F ZINC001667632418 1081269204 /nfs/dbraw/zinc/26/92/04/1081269204.db2.gz ZSESOPXBGKRJCR-UHFFFAOYSA-N 0 3 308.397 2.341 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC001667713547 1081277362 /nfs/dbraw/zinc/27/73/62/1081277362.db2.gz FITXOVFPNBZXHB-KGLIPLIRSA-N 0 3 323.462 2.029 20 30 DEEDHN O=C(C#CC1CC1)NC1(CNCc2ccc(F)cn2)CCCC1 ZINC001269545048 1081285000 /nfs/dbraw/zinc/28/50/00/1081285000.db2.gz BKQIVAZHMMXUGR-UHFFFAOYSA-N 0 3 315.392 2.153 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nccc2cccnc21 ZINC001668092485 1081315590 /nfs/dbraw/zinc/31/55/90/1081315590.db2.gz SJBSGKPWXBUIFW-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN C=CCC[NH2+]C[C@@]1(NC(=O)c2cnc[n-]c2=O)CCCC[C@@H]1C ZINC001269663269 1081325869 /nfs/dbraw/zinc/32/58/69/1081325869.db2.gz KUIDDHGKPUDSBW-GUYCJALGSA-N 0 3 318.421 2.027 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)Cc1ccco1 ZINC001668255275 1081334057 /nfs/dbraw/zinc/33/40/57/1081334057.db2.gz YXRDAFMWQRRQCM-NSHDSACASA-N 0 3 315.211 2.215 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCC(F)(F)F)C2)C1 ZINC001269742597 1081353872 /nfs/dbraw/zinc/35/38/72/1081353872.db2.gz TYELHQGCQMPDLH-CQSZACIVSA-N 0 3 302.340 2.277 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001482244686 1081374208 /nfs/dbraw/zinc/37/42/08/1081374208.db2.gz CVSWMOGEBCBKOM-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H]1CCCCC1(C)C ZINC001668656599 1081376887 /nfs/dbraw/zinc/37/68/87/1081376887.db2.gz GMWGWCMXYKGENM-INIZCTEOSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2nccn2C)C[C@H]1C ZINC001269925635 1081400875 /nfs/dbraw/zinc/40/08/75/1081400875.db2.gz BIRCNNCGUQNMSM-HZPDHXFCSA-N 0 3 316.449 2.083 20 30 DEEDHN C#CCNC/C=C/CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001668888434 1081408011 /nfs/dbraw/zinc/40/80/11/1081408011.db2.gz XYQUDEKQATUCEA-PBJSTTKNSA-N 0 3 302.340 2.250 20 30 DEEDHN CCO[C@H](C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001270006497 1081425456 /nfs/dbraw/zinc/42/54/56/1081425456.db2.gz JMQAVVRGTVUFGT-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN CO[C@H](C)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001482261616 1081438707 /nfs/dbraw/zinc/43/87/07/1081438707.db2.gz SYGKTIHIXFWYCA-UONOGXRCSA-N 0 3 322.836 2.163 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2c[nH]nc2CCC)cc1 ZINC001270064937 1081441438 /nfs/dbraw/zinc/44/14/38/1081441438.db2.gz BDLQROHZHQOFIG-UHFFFAOYSA-N 0 3 310.401 2.015 20 30 DEEDHN C#Cc1cncc(C(=O)NCc2ccc(CNCC#CC)cc2)c1 ZINC001270075441 1081444327 /nfs/dbraw/zinc/44/43/27/1081444327.db2.gz FSMBTHXJZJOKLR-UHFFFAOYSA-N 0 3 317.392 2.106 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001669520729 1081455888 /nfs/dbraw/zinc/45/58/88/1081455888.db2.gz LHABRQZHKNMVHL-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CN(C)[C@H](C)c1cccc(F)c1 ZINC001669812324 1081471699 /nfs/dbraw/zinc/47/16/99/1081471699.db2.gz YDQNFMVCXBHQDN-LSDHHAIUSA-N 0 3 320.408 2.363 20 30 DEEDHN CCCCOCCN1CCC(C)(NC(=O)C#CC(C)C)CC1 ZINC001270225753 1081478596 /nfs/dbraw/zinc/47/85/96/1081478596.db2.gz 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C=CCN1CC[C@@H](NC(=O)CCc2ccccn2)C(C)(C)C1 ZINC001674023912 1081828885 /nfs/dbraw/zinc/82/88/85/1081828885.db2.gz SNJVTQSKLMKVFM-MRXNPFEDSA-N 0 3 301.434 2.417 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001270906316 1081829015 /nfs/dbraw/zinc/82/90/15/1081829015.db2.gz ZGLXHYDEQMCRMX-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001674280255 1081856743 /nfs/dbraw/zinc/85/67/43/1081856743.db2.gz SOHJIDJYAUQUPS-HNNXBMFYSA-N 0 3 312.429 2.394 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccccc2C)CC1 ZINC001674299468 1081857795 /nfs/dbraw/zinc/85/77/95/1081857795.db2.gz QGICIQVBPZQLHC-UHFFFAOYSA-N 0 3 302.418 2.128 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H](C)c2cccs2)CC1 ZINC001674324737 1081860866 /nfs/dbraw/zinc/86/08/66/1081860866.db2.gz YVYRJXUEYMDQAA-CQSZACIVSA-N 0 3 322.474 2.371 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](C)O ZINC001674429364 1081870503 /nfs/dbraw/zinc/87/05/03/1081870503.db2.gz 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CC(C)(C)N1C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1=O ZINC001649270035 1082136308 /nfs/dbraw/zinc/13/63/08/1082136308.db2.gz JYFNRURCBJXGQI-MWLCHTKSSA-N 0 3 321.327 2.183 20 30 DEEDHN CC(C)[C@@H](CNC(=O)c1ccc[nH]1)NCC#Cc1ccccc1 ZINC001482514297 1082136804 /nfs/dbraw/zinc/13/68/04/1082136804.db2.gz IWXATYYMJVZEBC-GOSISDBHSA-N 0 3 309.413 2.410 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)C[C@H](C)OC)C(C)C ZINC001482521505 1082140907 /nfs/dbraw/zinc/14/09/07/1082140907.db2.gz HBOILDFTBQBGLH-RYUDHWBXSA-N 0 3 321.259 2.050 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001266548448 1082143756 /nfs/dbraw/zinc/14/37/56/1082143756.db2.gz ADKNNHNKMYWQCB-AWEZNQCLSA-N 0 3 316.832 2.443 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC001266548449 1082143958 /nfs/dbraw/zinc/14/39/58/1082143958.db2.gz ADKNNHNKMYWQCB-CQSZACIVSA-N 0 3 316.832 2.443 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1cc(C)ncn1 ZINC001271805994 1082159579 /nfs/dbraw/zinc/15/95/79/1082159579.db2.gz 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DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/CNCc1ccsc1 ZINC001483061435 1082679898 /nfs/dbraw/zinc/67/98/98/1082679898.db2.gz IKMWXZMZUFXNJG-RYIMYRPNSA-N 0 3 306.431 2.101 20 30 DEEDHN CC[C@@H](C)C(=O)N[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001483110040 1082715492 /nfs/dbraw/zinc/71/54/92/1082715492.db2.gz QRPSGNHWICDDAV-CHWSQXEVSA-N 0 3 303.406 2.207 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@H]1CNCc1ccn(CC)n1 ZINC001272244454 1082750239 /nfs/dbraw/zinc/75/02/39/1082750239.db2.gz QOPNVLJRQDEYEU-HOCLYGCPSA-N 0 3 304.438 2.244 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001409305382 1082755463 /nfs/dbraw/zinc/75/54/63/1082755463.db2.gz XZRPUVJUKSMLAA-NUYPLMSZSA-N 0 3 324.856 2.151 20 30 DEEDHN CC(C)OCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001409313322 1082758363 /nfs/dbraw/zinc/75/83/63/1082758363.db2.gz PTHZFBHGBFQLIQ-QWHCGFSZSA-N 0 3 323.462 2.418 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)CCc1cnccn1 ZINC001409501917 1082925477 /nfs/dbraw/zinc/92/54/77/1082925477.db2.gz 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ZINC001089937304 1084225815 /nfs/dbraw/zinc/22/58/15/1084225815.db2.gz WBBXREYBCUTGOT-MRXNPFEDSA-N 0 3 304.434 2.270 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccn(CC(C)C)n1 ZINC001272814085 1084233146 /nfs/dbraw/zinc/23/31/46/1084233146.db2.gz MXKBGUHOKSSHJM-ZDUSSCGKSA-N 0 3 312.845 2.390 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001272824075 1084269329 /nfs/dbraw/zinc/26/93/29/1084269329.db2.gz UHWIRYZBDSPVMK-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)N(C)C(C)C ZINC001277917467 1084279108 /nfs/dbraw/zinc/27/91/08/1084279108.db2.gz SDWBTEBQMSXYIC-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001128088038 1084321162 /nfs/dbraw/zinc/32/11/62/1084321162.db2.gz JHXYINPGQKSBGV-QGZVFWFLSA-N 0 3 320.408 2.333 20 30 DEEDHN C=C(C)CNCc1cccc(N2CC[C@@H](NC(=O)CCC)C2)n1 ZINC001128096751 1084336448 /nfs/dbraw/zinc/33/64/48/1084336448.db2.gz QHCOPXORWYXTHJ-MRXNPFEDSA-N 0 3 316.449 2.242 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCc2cncn2C)CCC1 ZINC001277929543 1084338907 /nfs/dbraw/zinc/33/89/07/1084338907.db2.gz PHAFXKLZIVRYMP-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001277939314 1084403197 /nfs/dbraw/zinc/40/31/97/1084403197.db2.gz ZKXNALQAASOHFR-GJZGRUSLSA-N 0 3 304.409 2.464 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1cccc(O)c1)CC2 ZINC001272899845 1084448230 /nfs/dbraw/zinc/44/82/30/1084448230.db2.gz MEMJALARUUZADF-UHFFFAOYSA-N 0 3 312.413 2.230 20 30 DEEDHN COCCCCN1CCN(Cc2ccccc2CC#N)CC1 ZINC001235529002 1084456021 /nfs/dbraw/zinc/45/60/21/1084456021.db2.gz VPOGOPVVNDUZCA-UHFFFAOYSA-N 0 3 301.434 2.297 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OC)c(C)c1 ZINC001272907825 1084460267 /nfs/dbraw/zinc/46/02/67/1084460267.db2.gz SSAUUROUYNOZDX-IAGOWNOFSA-N 0 3 312.413 2.202 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc[n-]c1=O ZINC001235652115 1084488341 /nfs/dbraw/zinc/48/83/41/1084488341.db2.gz IZMFMKFGTOFIGU-AWEZNQCLSA-N 0 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UTLPHHKNWXMGIT-PIIMJCKOSA-N 0 3 307.397 2.323 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccc(OC)nc1 ZINC001128208480 1085556486 /nfs/dbraw/zinc/55/64/86/1085556486.db2.gz CMSMKAKRDWXFQN-UHFFFAOYSA-N 0 3 311.813 2.075 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001128251944 1085641482 /nfs/dbraw/zinc/64/14/82/1085641482.db2.gz AMXTXBFJXWEWTN-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001128252460 1085641944 /nfs/dbraw/zinc/64/19/44/1085641944.db2.gz KKEYLHCRZVYOMN-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC[C@@H](C2CCN(C(=O)C(=O)C(C)(C)C)CC2)C1 ZINC000961350880 1085700563 /nfs/dbraw/zinc/70/05/63/1085700563.db2.gz YLZBWZYHFYDLCU-MRXNPFEDSA-N 0 3 318.461 2.185 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000961442536 1085734798 /nfs/dbraw/zinc/73/47/98/1085734798.db2.gz WNPZTQNIDMSEBO-FVQHAEBGSA-N 0 3 314.404 2.480 20 30 DEEDHN C=C(C)CCC(=O)NCCNCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC001128408961 1085769617 /nfs/dbraw/zinc/76/96/17/1085769617.db2.gz NLUKVQNYTTYLBU-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001128414024 1085772962 /nfs/dbraw/zinc/77/29/62/1085772962.db2.gz SWEDGXHSVPIJDK-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC001128418476 1085775518 /nfs/dbraw/zinc/77/55/18/1085775518.db2.gz NZRUNVYTYGLJPZ-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC(O)(C3CCC3)CC2)c1 ZINC001413066893 1085873791 /nfs/dbraw/zinc/87/37/91/1085873791.db2.gz NCRMKLMZAOJXPB-KRWDZBQOSA-N 0 3 300.402 2.219 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001273076599 1086140365 /nfs/dbraw/zinc/14/03/65/1086140365.db2.gz XGPSWAOJFXFOHH-QMMMGPOBSA-N 0 3 324.734 2.279 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCCCC)[C@@H](n2ccnn2)C1 ZINC001128715805 1086344877 /nfs/dbraw/zinc/34/48/77/1086344877.db2.gz GQDKPFFJOCTRCB-CVEARBPZSA-N 0 3 319.453 2.166 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000963259185 1086355725 /nfs/dbraw/zinc/35/57/25/1086355725.db2.gz LKIOUXIWRIEDFV-UKRRQHHQSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000963259183 1086356290 /nfs/dbraw/zinc/35/62/90/1086356290.db2.gz LKIOUXIWRIEDFV-DZGCQCFKSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000963261920 1086360324 /nfs/dbraw/zinc/36/03/24/1086360324.db2.gz FGWSPRSFGPOPGR-HIFRSBDPSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000963261920 1086360335 /nfs/dbraw/zinc/36/03/35/1086360335.db2.gz FGWSPRSFGPOPGR-HIFRSBDPSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000963261922 1086362697 /nfs/dbraw/zinc/36/26/97/1086362697.db2.gz FGWSPRSFGPOPGR-ZFWWWQNUSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000963261922 1086362706 /nfs/dbraw/zinc/36/27/06/1086362706.db2.gz FGWSPRSFGPOPGR-ZFWWWQNUSA-N 0 3 322.840 2.479 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2CCc1cccc(F)c1 ZINC001273134817 1086372480 /nfs/dbraw/zinc/37/24/80/1086372480.db2.gz LIQGOXQVUCRYCB-LJQANCHMSA-N 0 3 314.404 2.458 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000963301814 1086400150 /nfs/dbraw/zinc/40/01/50/1086400150.db2.gz KVJWSLBTFOZWMH-ZIAGYGMSSA-N 0 3 322.840 2.479 20 30 DEEDHN CC(C)c1nocc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001129279862 1087097419 /nfs/dbraw/zinc/09/74/19/1087097419.db2.gz XFULPXNBXWZNJU-UHFFFAOYSA-N 0 3 318.402 2.251 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3nc4ccccn4c3C)C2)C1=O ZINC001273174314 1087179305 /nfs/dbraw/zinc/17/93/05/1087179305.db2.gz PLTWGURBQJNQRS-IBGZPJMESA-N 0 3 324.428 2.253 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H](O)C1 ZINC001090355852 1087704175 /nfs/dbraw/zinc/70/41/75/1087704175.db2.gz SBZQUSRIMWNOEI-JKSUJKDBSA-N 0 3 324.371 2.014 20 30 DEEDHN CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114799585 1088526826 /nfs/dbraw/zinc/52/68/26/1088526826.db2.gz ZHRNVEKYYJXMNQ-FOLVSLTJSA-N 0 3 319.355 2.150 20 30 DEEDHN CCN(Cc1ocnc1C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957692544 1088549196 /nfs/dbraw/zinc/54/91/96/1088549196.db2.gz WRYIWQCTIOYQMW-ZDUSSCGKSA-N 0 3 318.421 2.203 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OC1CCCCCC1 ZINC001114812349 1088702751 /nfs/dbraw/zinc/70/27/51/1088702751.db2.gz GPIBBORVAAWJAO-QMCVQRASSA-N 0 3 306.450 2.347 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cncc(OC(C)C)c2)C1 ZINC001080259734 1088746029 /nfs/dbraw/zinc/74/60/29/1088746029.db2.gz KLJLDIMJCXPZQH-RHSMWYFYSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccccc2CCC)[C@H](O)C1 ZINC000958242491 1088876468 /nfs/dbraw/zinc/87/64/68/1088876468.db2.gz CRXQRIRIRQIIJB-SJLPKXTDSA-N 0 3 316.445 2.238 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC000958281389 1088902042 /nfs/dbraw/zinc/90/20/42/1088902042.db2.gz KNNGKPFZNHDWIT-YJBOKZPZSA-N 0 3 314.429 2.081 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001080510977 1089009833 /nfs/dbraw/zinc/00/98/33/1089009833.db2.gz AYCWVYXVOYNRBD-CXAGYDPISA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000958639861 1089112343 /nfs/dbraw/zinc/11/23/43/1089112343.db2.gz LHZRNCGXMDECGW-QAPCUYQASA-N 0 3 310.397 2.048 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001080789268 1089190007 /nfs/dbraw/zinc/19/00/07/1089190007.db2.gz XRPDEIPBBUIWHS-UKRRQHHQSA-N 0 3 302.418 2.478 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001080814312 1089198105 /nfs/dbraw/zinc/19/81/05/1089198105.db2.gz QNGULGGTJVMRQH-GDBMZVCRSA-N 0 3 300.402 2.077 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001080862062 1089211633 /nfs/dbraw/zinc/21/16/33/1089211633.db2.gz PYDLDWFKLUHLGX-SQWLQELKSA-N 0 3 316.449 2.092 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H](OC)C1 ZINC001081882458 1089505744 /nfs/dbraw/zinc/50/57/44/1089505744.db2.gz QLHJJLBGHSIBGD-IAGOWNOFSA-N 0 3 317.433 2.094 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2ccccc2CC)[C@H](OC)C1 ZINC001081845871 1089515426 /nfs/dbraw/zinc/51/54/26/1089515426.db2.gz WXAIDUXWCQVBBF-QZTJIDSGSA-N 0 3 316.445 2.183 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@H](OC)C1 ZINC001081971533 1089610011 /nfs/dbraw/zinc/61/00/11/1089610011.db2.gz IETDMVKTYUSWIS-HZPDHXFCSA-N 0 3 317.433 2.094 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001082146139 1089737201 /nfs/dbraw/zinc/73/72/01/1089737201.db2.gz SDMDYDNIUMXXAF-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CCc1onc(C)c1CNC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC000959920036 1089847112 /nfs/dbraw/zinc/84/71/12/1089847112.db2.gz QIXJYGOITBGJQA-JSGCOSHPSA-N 0 3 318.421 2.176 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)n(C(F)F)n3)[C@@H]2C1 ZINC001084376924 1090281312 /nfs/dbraw/zinc/28/13/12/1090281312.db2.gz QRLFLWCRBGBDKK-TZMCWYRMSA-N 0 3 324.375 2.309 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sccc3OC)[C@@H]2C1 ZINC001084788906 1090445366 /nfs/dbraw/zinc/44/53/66/1090445366.db2.gz IFSLOSBYJFJFNX-CHWSQXEVSA-N 0 3 306.431 2.479 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COc3cccc(C)c3)[C@@H]2C1 ZINC001084827064 1090464317 /nfs/dbraw/zinc/46/43/17/1090464317.db2.gz IVNCPCQRRBBRRM-SJLPKXTDSA-N 0 3 314.429 2.483 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cncc3ccccc32)C1=O ZINC001273239893 1090498336 /nfs/dbraw/zinc/49/83/36/1090498336.db2.gz WWAWITHDCCOTBW-HXUWFJFHSA-N 0 3 319.408 2.435 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)c3ccco3)C[C@@H]21 ZINC001085074800 1090632036 /nfs/dbraw/zinc/63/20/36/1090632036.db2.gz CWHDCRBHHRKENF-XHSDSOJGSA-N 0 3 300.402 2.329 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)c(OC)c1 ZINC001273307437 1090900951 /nfs/dbraw/zinc/90/09/51/1090900951.db2.gz WCRCRFRVHLZAKZ-IAGOWNOFSA-N 0 3 312.413 2.202 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cc(OC)ccn3)C2)C1=O ZINC001274251344 1091152624 /nfs/dbraw/zinc/15/26/24/1091152624.db2.gz PZTLOJYYPDCRFM-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN CC(C)[C@@H](C(=O)NCc1ccnc(C#N)c1)N1CCCCC1 ZINC001412097757 1091152755 /nfs/dbraw/zinc/15/27/55/1091152755.db2.gz ITCAUTWQASPZQD-INIZCTEOSA-N 0 3 300.406 2.080 20 30 DEEDHN CC(C)[C@H](C(=O)NCc1ccnc(C#N)c1)N1CCCCC1 ZINC001412097789 1091152828 /nfs/dbraw/zinc/15/28/28/1091152828.db2.gz ITCAUTWQASPZQD-MRXNPFEDSA-N 0 3 300.406 2.080 20 30 DEEDHN CN1CC[C@]2(CCCN2Cc2c[nH]c3cc(C#N)ccc23)C1=O ZINC001273395674 1091157385 /nfs/dbraw/zinc/15/73/85/1091157385.db2.gz RZTHWJYMVUEOFJ-GOSISDBHSA-N 0 3 308.385 2.236 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3ccn4nccc4c3)CC2)C1=O ZINC001274321429 1091189778 /nfs/dbraw/zinc/18/97/78/1091189778.db2.gz PENREIPXTVUIKT-UHFFFAOYSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(Cl)cc(C)n3)C2)C1=O ZINC001274450070 1091249160 /nfs/dbraw/zinc/24/91/60/1091249160.db2.gz NWYZPKWQNDZJQP-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(N)nc1C ZINC001274541409 1091293126 /nfs/dbraw/zinc/29/31/26/1091293126.db2.gz PEAFMASCBVSKKW-HZPDHXFCSA-N 0 3 314.433 2.114 20 30 DEEDHN C=C(C)CN1c2ccccc2[C@@]2(CCN(c3cncn3C)C2)C1=O ZINC001274758577 1091399699 /nfs/dbraw/zinc/39/96/99/1091399699.db2.gz JLFLGPZTPSGYIH-IBGZPJMESA-N 0 3 322.412 2.491 20 30 DEEDHN CC(C)CN1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274794149 1091421385 /nfs/dbraw/zinc/42/13/85/1091421385.db2.gz WFXWKQBDUHZQND-GOSISDBHSA-N 0 3 312.417 2.034 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)Cc1ccco1 ZINC001274962914 1091489854 /nfs/dbraw/zinc/48/98/54/1091489854.db2.gz IWMDCOBZLPCJSR-CQSZACIVSA-N 0 3 314.360 2.107 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CNCc1cnc(C)s1 ZINC001274978912 1091497211 /nfs/dbraw/zinc/49/72/11/1091497211.db2.gz MHJFFRIDFUQONK-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN C#Cc1ccc(CN2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)cc1 ZINC001275132407 1091576389 /nfs/dbraw/zinc/57/63/89/1091576389.db2.gz RXLZICJELJUFGN-ZWKOTPCHSA-N 0 3 311.429 2.292 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CN(C)CCn2cccn2)C1 ZINC001275144078 1091582673 /nfs/dbraw/zinc/58/26/73/1091582673.db2.gz UVFICRMQGDEYQJ-MRXNPFEDSA-N 0 3 316.449 2.162 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccc(OC)o1 ZINC001275150646 1091586339 /nfs/dbraw/zinc/58/63/39/1091586339.db2.gz KWNJPKXPMYTAHB-AWEZNQCLSA-N 0 3 322.405 2.027 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C1CCCCC1 ZINC001275368247 1091695456 /nfs/dbraw/zinc/69/54/56/1091695456.db2.gz WQWZJTSEKCZWEN-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCCC3CCOCC3)C2)C1 ZINC001671075542 1091727885 /nfs/dbraw/zinc/72/78/85/1091727885.db2.gz TUELTPMXQROPLW-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC(=O)NC1CCCCC1 ZINC001275461345 1091768889 /nfs/dbraw/zinc/76/88/89/1091768889.db2.gz OSCNYSYUUVMKDO-UONOGXRCSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN(C)C[C@@H](O)c1ccc(F)cc1 ZINC001275521508 1091828245 /nfs/dbraw/zinc/82/82/45/1091828245.db2.gz ROHGNCXOAAWJCU-CZUORRHYSA-N 0 3 308.397 2.262 20 30 DEEDHN C[C@H](CN(C)CCOc1cccc(F)c1)NC(=O)C#CC1CC1 ZINC001275552829 1091852441 /nfs/dbraw/zinc/85/24/41/1091852441.db2.gz VFLLSSMXNKBSGW-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN C=C(C)CCC(=O)NCCCCCCN[C@H](C)c1nncn1C ZINC001178596664 1091856623 /nfs/dbraw/zinc/85/66/23/1091856623.db2.gz UHSQSNFAFJIBGY-OAHLLOKOSA-N 0 3 321.469 2.499 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(Cl)cc1OC ZINC001273554093 1091919448 /nfs/dbraw/zinc/91/94/48/1091919448.db2.gz OEEDAVRFUJPZCE-UHFFFAOYSA-N 0 3 308.809 2.376 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(C)c(F)c(F)c3)C2)C1=O ZINC001273562696 1091924376 /nfs/dbraw/zinc/92/43/76/1091924376.db2.gz CZFHOMGFHPAFAF-GOSISDBHSA-N 0 3 318.367 2.331 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ocnc2C2CC2)CC1 ZINC000948775902 1091931453 /nfs/dbraw/zinc/93/14/53/1091931453.db2.gz URYDVJFVQMPYBO-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCCN(C)Cc2cccnc2)cn1 ZINC001273577913 1091932874 /nfs/dbraw/zinc/93/28/74/1091932874.db2.gz ITFMFRVGHNBGFD-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(F)c(OC)c2)CC1 ZINC000948789951 1091937810 /nfs/dbraw/zinc/93/78/10/1091937810.db2.gz WYSKGVOHBSNTRX-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2noc3c2CCCC3)CC1 ZINC000948804148 1091945558 /nfs/dbraw/zinc/94/55/58/1091945558.db2.gz DKYNSWUTKVBZPX-CQSZACIVSA-N 0 3 315.417 2.113 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cccn3ccnc23)CC1 ZINC000948845163 1091964396 /nfs/dbraw/zinc/96/43/96/1091964396.db2.gz OSUHFXXWBPMYOZ-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1COC(C)(C)O1 ZINC001273719360 1092013118 /nfs/dbraw/zinc/01/31/18/1092013118.db2.gz RMAZGBRYAHCJQL-CRAIPNDOSA-N 0 3 322.449 2.171 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2C[C@@H](C)CC(F)(F)F)C1=O ZINC001273746372 1092026774 /nfs/dbraw/zinc/02/67/74/1092026774.db2.gz FXRMIPZCMFMJDX-GXTWGEPZSA-N 0 3 302.340 2.275 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@]1(C)CC)CCO2 ZINC000949220168 1092073747 /nfs/dbraw/zinc/07/37/47/1092073747.db2.gz BTEXUXINVDOMPS-RDJZCZTQSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc(C)no3)CC2)C1=O ZINC001273819875 1092185683 /nfs/dbraw/zinc/18/56/83/1092185683.db2.gz XDUXOIGBYPVIOI-QGZVFWFLSA-N 0 3 303.406 2.374 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001487805751 1092222677 /nfs/dbraw/zinc/22/26/77/1092222677.db2.gz RAJZTMKUZSANRD-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)SC)C2 ZINC001273833861 1092287575 /nfs/dbraw/zinc/28/75/75/1092287575.db2.gz RBDPMHNXTJFAMX-WBVHZDCISA-N 0 3 308.491 2.466 20 30 DEEDHN CC[C@H](C[N-]C(=O)C(C)(F)F)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001494931811 1092307676 /nfs/dbraw/zinc/30/76/76/1092307676.db2.gz SRBZFZQXWAYHRQ-GFCCVEGCSA-N 0 3 313.323 2.337 20 30 DEEDHN Cn1cc(CN2CCC3(CN(Cc4ccoc4)C3)C2)cc1C#N ZINC001275943252 1092359259 /nfs/dbraw/zinc/35/92/59/1092359259.db2.gz DMGIBTKJDBUSCB-UHFFFAOYSA-N 0 3 310.401 2.198 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001275986145 1092443547 /nfs/dbraw/zinc/44/35/47/1092443547.db2.gz JBDPXPRVQACBBB-YJBOKZPZSA-N 0 3 302.418 2.315 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)[C@H]1C ZINC001488260299 1092456603 /nfs/dbraw/zinc/45/66/03/1092456603.db2.gz OPIVEKJPIWNUIT-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001273886826 1092479834 /nfs/dbraw/zinc/47/98/34/1092479834.db2.gz ZZIGUFCSYMPCQX-PKOBYXMFSA-N 0 3 318.461 2.089 20 30 DEEDHN Cc1nc(C)c(C(=O)NC/C=C\CNCc2ccc(C#N)cc2)o1 ZINC001273928222 1092520049 /nfs/dbraw/zinc/52/00/49/1092520049.db2.gz LEPSIXAKJVJKJN-ARJAWSKDSA-N 0 3 324.384 2.239 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc2nonc2c1 ZINC001488655341 1092664926 /nfs/dbraw/zinc/66/49/26/1092664926.db2.gz 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CYOZUKHASNCPDF-UHFFFAOYSA-N 0 3 305.466 2.187 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001490539065 1093402382 /nfs/dbraw/zinc/40/23/82/1093402382.db2.gz KWFNYRLRSXARDT-SFHVURJKSA-N 0 3 314.429 2.034 20 30 DEEDHN CCC[C@H](CC)C(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001490604679 1093442635 /nfs/dbraw/zinc/44/26/35/1093442635.db2.gz OBIXGBQPWLJCTF-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cnnc(C)c2)CC1 ZINC001490613896 1093447136 /nfs/dbraw/zinc/44/71/36/1093447136.db2.gz BXWLRDUDJJODBM-UHFFFAOYSA-N 0 3 302.422 2.288 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1cccc(Br)c1F ZINC001252450399 1093555450 /nfs/dbraw/zinc/55/54/50/1093555450.db2.gz AIDOEUIIJUBAIO-NSHDSACASA-N 0 3 318.186 2.241 20 30 DEEDHN C=CCOC[C@H](O)CNCc1c(F)cccc1C(F)(F)F ZINC001252487128 1093565876 /nfs/dbraw/zinc/56/58/76/1093565876.db2.gz MQRCUWQOJOKWPQ-SNVBAGLBSA-N 0 3 307.287 2.498 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC001649167390 1093732505 /nfs/dbraw/zinc/73/25/05/1093732505.db2.gz IFUUMXZZKJGHPI-ZIAGYGMSSA-N 0 3 322.368 2.188 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(CCC(=O)c1ccccc1)CC2 ZINC001274006492 1093759326 /nfs/dbraw/zinc/75/93/26/1093759326.db2.gz ANLAXOUOFGRWCN-QGZVFWFLSA-N 0 3 324.424 2.111 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)CN(CC)CC ZINC001351978319 1151643786 /nfs/dbraw/zinc/64/37/86/1151643786.db2.gz OTOKTLIQGQVPPH-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN O=C1C=C2CN(Cc3cc(F)cc4c3OCOC4)CCC2S1 ZINC001141390066 1138300953 /nfs/dbraw/zinc/30/09/53/1138300953.db2.gz DRTCCMBSYNIVLU-AWEZNQCLSA-N 0 3 321.373 2.466 20 30 DEEDHN N#CCc1ccccc1CN1CCCN(c2ncccn2)CC1 ZINC001235523560 1138331251 /nfs/dbraw/zinc/33/12/51/1138331251.db2.gz SLKKOLKQMGPQPQ-UHFFFAOYSA-N 0 3 307.401 2.255 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](CO)N[C@H](C)c1ccc(Cl)cc1 ZINC001278077849 1138581621 /nfs/dbraw/zinc/58/16/21/1138581621.db2.gz OHUVSUADXMGVBF-CZUORRHYSA-N 0 3 322.836 2.127 20 30 DEEDHN C#CCN(C(=O)[C@H](C)CSC)C1CCN(CC(=C)C)CC1 ZINC001278128056 1138743435 /nfs/dbraw/zinc/74/34/35/1138743435.db2.gz GXXIXRATTZQZFA-OAHLLOKOSA-N 0 3 308.491 2.488 20 30 DEEDHN N#Cc1ccc(CN2CC[C@]3(CCC[C@H]3C(N)=O)C2)c(F)c1 ZINC001278304540 1139178601 /nfs/dbraw/zinc/17/86/01/1139178601.db2.gz BGMGBABCHATJEW-WMLDXEAASA-N 0 3 301.365 2.175 20 30 DEEDHN Cc1cc(-c2cccc(CN3CCN(C)CC3)c2)nc(C#N)n1 ZINC001240284109 1139318539 /nfs/dbraw/zinc/31/85/39/1139318539.db2.gz UKJICHXAIYKVAE-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001296108180 1139709706 /nfs/dbraw/zinc/70/97/06/1139709706.db2.gz RYOKKKKUMGZFIR-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CCC)C(=O)[C@H](CC)N(C)C)C1 ZINC001296539582 1139803633 /nfs/dbraw/zinc/80/36/33/1139803633.db2.gz JSIDTQNTOPEHSP-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](OCC)C(C)C)C2 ZINC001278334700 1139846089 /nfs/dbraw/zinc/84/60/89/1139846089.db2.gz DRDKEBXTHZKLDZ-PKOBYXMFSA-N 0 3 320.477 2.385 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NLBNDGKRJDMWOL-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN CC[C@H](CNC(=O)c1cccn1C)NCC#Cc1ccccc1 ZINC001318504418 1140352393 /nfs/dbraw/zinc/35/23/93/1140352393.db2.gz UFLQFPTWBVCPNF-QGZVFWFLSA-N 0 3 309.413 2.175 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CC)N[C@H](C)C(=O)NC)CCCCC1 ZINC001318604684 1140372082 /nfs/dbraw/zinc/37/20/82/1140372082.db2.gz FEWTYGOEWUBISS-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](CCNCC(=C)Cl)C1 ZINC001318777815 1140413234 /nfs/dbraw/zinc/41/32/34/1140413234.db2.gz CTCJVIOJTNXODT-AWEZNQCLSA-N 0 3 300.830 2.160 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1cnc(C)cn1 ZINC001319241374 1140533422 /nfs/dbraw/zinc/53/34/22/1140533422.db2.gz AQXKKMJMNMGZKX-ZDUSSCGKSA-N 0 3 304.438 2.229 20 30 DEEDHN CC(C)C#CC(=O)NCC1(NCc2cncs2)CCCC1 ZINC001319352149 1140555320 /nfs/dbraw/zinc/55/53/20/1140555320.db2.gz REWVLWZGNJEUGS-UHFFFAOYSA-N 0 3 305.447 2.321 20 30 DEEDHN CC(C)=CCN1CC2(C1)CCN(C(=O)CSCC#N)CC2 ZINC001319391737 1140561913 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1140844393 /nfs/dbraw/zinc/84/43/93/1140844393.db2.gz DCOIMBSXVFSVCN-KRWDZBQOSA-N 0 3 313.397 2.161 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@@H](OC)C(C)C ZINC001320542009 1140877342 /nfs/dbraw/zinc/87/73/42/1140877342.db2.gz CMMWVSZOOYFBCA-RYUDHWBXSA-N 0 3 321.259 2.050 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2ccc(OC)cc2)C1 ZINC001278438885 1140878132 /nfs/dbraw/zinc/87/81/32/1140878132.db2.gz YDSGKPCRNNPYLV-SFHVURJKSA-N 0 3 318.417 2.092 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001320791414 1140923599 /nfs/dbraw/zinc/92/35/99/1140923599.db2.gz LXIQUHCXSWGNLP-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C\CN[C@@H](C)c1ccc(F)cc1 ZINC001321057026 1141042749 /nfs/dbraw/zinc/04/27/49/1141042749.db2.gz MHXOVVAIKBTHGZ-RWCKICOTSA-N 0 3 318.392 2.187 20 30 DEEDHN C=C[C@@H](COC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001321270396 1141110208 /nfs/dbraw/zinc/11/02/08/1141110208.db2.gz FHMDGYYBRWTONO-RDJZCZTQSA-N 0 3 320.408 2.355 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN[C@@H](C)C(=O)NC1CCCCC1 ZINC001321616837 1141316866 /nfs/dbraw/zinc/31/68/66/1141316866.db2.gz HYQWERGZNUAYDO-KGLIPLIRSA-N 0 3 323.481 2.130 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccccc1C1(C)CC1 ZINC001321645972 1141322313 /nfs/dbraw/zinc/32/23/13/1141322313.db2.gz QQORBKGUXMATAE-OAHLLOKOSA-N 0 3 314.429 2.096 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)C1(C2CCCCC2)CC1 ZINC001321723884 1141333785 /nfs/dbraw/zinc/33/37/85/1141333785.db2.gz RRLDMENRUFBUKI-OAHLLOKOSA-N 0 3 306.450 2.091 20 30 DEEDHN Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001322159317 1141423961 /nfs/dbraw/zinc/42/39/61/1141423961.db2.gz ZLIYAZLTPNPWRA-AWEZNQCLSA-N 0 3 302.393 2.484 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C)nc2onc(C)c21 ZINC001322211161 1141465018 /nfs/dbraw/zinc/46/50/18/1141465018.db2.gz VJIJQGXPJAPZGN-LLVKDONJSA-N 0 3 302.378 2.076 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(F)cncc1F ZINC001322528540 1141622511 /nfs/dbraw/zinc/62/25/11/1141622511.db2.gz MEOGMRAXTOQLGR-UHFFFAOYSA-N 0 3 303.740 2.164 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)c1cc[nH]c1 ZINC001323004079 1141800670 /nfs/dbraw/zinc/80/06/70/1141800670.db2.gz CTVZWKFVVXITRO-SFHVURJKSA-N 0 3 307.397 2.164 20 30 DEEDHN C#CCOCCN(C)Cc1ccc(OCc2nccn2C)cc1 ZINC001323094441 1141810759 /nfs/dbraw/zinc/81/07/59/1141810759.db2.gz YMFXEGOHNSKRDI-UHFFFAOYSA-N 0 3 313.401 2.081 20 30 DEEDHN CCc1cc(C#N)ccc1CN1CCC(NC(=O)N(C)C)CC1 ZINC001248752785 1141813046 /nfs/dbraw/zinc/81/30/46/1141813046.db2.gz AZFJXTNBLVPPHS-UHFFFAOYSA-N 0 3 314.433 2.356 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2cscn2)[C@H](CC)C1 ZINC001323128961 1141815930 /nfs/dbraw/zinc/81/59/30/1141815930.db2.gz IMSSGFDSVGAZKM-UKRRQHHQSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001323259097 1141833413 /nfs/dbraw/zinc/83/34/13/1141833413.db2.gz PXHUTLVSJROMGE-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](CC)OC2CCCCC2)CC1 ZINC001323443976 1141854454 /nfs/dbraw/zinc/85/44/54/1141854454.db2.gz TVYYEWUIVSGVHE-INIZCTEOSA-N 0 3 306.450 2.376 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCn2nc(C)cc2C)[C@@H]1C ZINC001278515295 1141877505 /nfs/dbraw/zinc/87/75/05/1141877505.db2.gz FDMHIEAQMGBLGN-IRXDYDNUSA-N 0 3 318.465 2.435 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@](C)(C=C)CCOC)C2)C1 ZINC001323812786 1141888762 /nfs/dbraw/zinc/88/87/62/1141888762.db2.gz LKPRRAIUFDXFBF-RBUKOAKNSA-N 0 3 318.461 2.163 20 30 DEEDHN CC(=O)N1CCC[C@H](N(C)Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249430591 1141888898 /nfs/dbraw/zinc/88/88/98/1141888898.db2.gz ZBQCAJNRKOBQKZ-KRWDZBQOSA-N 0 3 310.401 2.482 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2nccnc2C)C[C@@H]1C ZINC001324049072 1141980771 /nfs/dbraw/zinc/98/07/71/1141980771.db2.gz GKMTYCLQWOMWBP-DZGCQCFKSA-N 0 3 302.422 2.220 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)C1CC1)C1CCN(CCOC(C)C)CC1 ZINC001324376079 1142065162 /nfs/dbraw/zinc/06/51/62/1142065162.db2.gz ADPILQHZNAFOHZ-INIZCTEOSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2nccs2)C1 ZINC001278560002 1142139702 /nfs/dbraw/zinc/13/97/02/1142139702.db2.gz VJNNVTJYUUMJQN-ZIAGYGMSSA-N 0 3 305.447 2.321 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001324607621 1142145751 /nfs/dbraw/zinc/14/57/51/1142145751.db2.gz LLUDSPAGWSLBGT-QGZVFWFLSA-N 0 3 306.406 2.293 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)CCOCC(F)(F)F)C1 ZINC001324631046 1142164021 /nfs/dbraw/zinc/16/40/21/1142164021.db2.gz YNZXLZZWOJNTCR-ZDUSSCGKSA-N 0 3 308.344 2.112 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1C[C@@H](OC)C1(CC)CC ZINC001251528280 1142444104 /nfs/dbraw/zinc/44/41/04/1142444104.db2.gz IWUIIYATPGDKAK-JKSUJKDBSA-N 0 3 323.481 2.177 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COCc2ccccc2)ccc1F ZINC001252303352 1142678666 /nfs/dbraw/zinc/67/86/66/1142678666.db2.gz QHEPABFLSSMCFB-KRWDZBQOSA-N 0 3 314.360 2.365 20 30 DEEDHN C=CCOC[C@H](O)CN(C)CCc1cccc(C(F)(F)F)n1 ZINC001252455126 1142719456 /nfs/dbraw/zinc/71/94/56/1142719456.db2.gz XNWXFBIRZIBDIF-CYBMUJFWSA-N 0 3 318.339 2.138 20 30 DEEDHN C=CCOC[C@H](O)CN(Cc1cccc(OC)c1)[C@H](C)COC ZINC001252470361 1142722775 /nfs/dbraw/zinc/72/27/75/1142722775.db2.gz KFPVPJUWFMJXRQ-NVXWUHKLSA-N 0 3 323.433 2.096 20 30 DEEDHN C=CCOC[C@H](O)CNCc1ccc(F)cc1C(F)(F)F ZINC001252486262 1142731957 /nfs/dbraw/zinc/73/19/57/1142731957.db2.gz WLTRGPIDWCLHOE-GFCCVEGCSA-N 0 3 307.287 2.498 20 30 DEEDHN C=C[C@@](C)(O)CNc1ccc(CN2CCN(CC)CC2)cc1 ZINC001252561505 1142766663 /nfs/dbraw/zinc/76/66/63/1142766663.db2.gz GWVKTJGVUGLDGU-GOSISDBHSA-N 0 3 303.450 2.173 20 30 DEEDHN C=CCC[C@H](O)CN1CCO[C@]2(CCC[C@@H]2COCC=C)C1 ZINC001252598187 1142781436 /nfs/dbraw/zinc/78/14/36/1142781436.db2.gz KUBXMLIQTFLUIL-FGTMMUONSA-N 0 3 309.450 2.387 20 30 DEEDHN C=CCC[C@H](O)CN1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001252603032 1142783073 /nfs/dbraw/zinc/78/30/73/1142783073.db2.gz JTVYMDSPWCDDRO-INIZCTEOSA-N 0 3 300.406 2.012 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001252603896 1142785696 /nfs/dbraw/zinc/78/56/96/1142785696.db2.gz HXNONZZUOAUSFO-SJORKVTESA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCC[C@@H](O)CNc1ccc(N2CCN(C)CC2)cc1C ZINC001252607414 1142788303 /nfs/dbraw/zinc/78/83/03/1142788303.db2.gz MGYQQVHWDOHDPS-QGZVFWFLSA-N 0 3 303.450 2.486 20 30 DEEDHN COc1ccccc1OC[C@H](O)CN1CCC[C@H](C#N)CC1 ZINC001252887307 1142827650 /nfs/dbraw/zinc/82/76/50/1142827650.db2.gz FGAGXAJDLOPGPS-LSDHHAIUSA-N 0 3 304.390 2.061 20 30 DEEDHN C=C[C@@H](O)CN1CCN(c2ccc(Br)cc2)CC1 ZINC001253575776 1142881478 /nfs/dbraw/zinc/88/14/78/1142881478.db2.gz DBJLZRSCSAXFDP-CQSZACIVSA-N 0 3 311.223 2.118 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2ccccc2C)CC1 ZINC001340021664 1143235243 /nfs/dbraw/zinc/23/52/43/1143235243.db2.gz YRVSQENQFPCPKF-INIZCTEOSA-N 0 3 301.434 2.327 20 30 DEEDHN CC(C)C[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NO ZINC001254550215 1143245051 /nfs/dbraw/zinc/24/50/51/1143245051.db2.gz FVOVWZZPAMWBCB-AAEUAGOBSA-N 0 3 309.366 2.036 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC001340079680 1143257666 /nfs/dbraw/zinc/25/76/66/1143257666.db2.gz LKQUKBOIUOVVKA-IAGOWNOFSA-N 0 3 320.433 2.307 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC001340127765 1143273886 /nfs/dbraw/zinc/27/38/86/1143273886.db2.gz CKOXSSNGYFYOQE-UHOFOFEASA-N 0 3 308.397 2.438 20 30 DEEDHN C=CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC=C ZINC001340556863 1143370919 /nfs/dbraw/zinc/37/09/19/1143370919.db2.gz XSAMJZXDECJGCZ-UHFFFAOYSA-N 0 3 319.453 2.087 20 30 DEEDHN CC[C@H](CC#N)n1nc(C(=O)NC2CCCC2)c2c1CCNC2 ZINC001255170583 1143464301 /nfs/dbraw/zinc/46/43/01/1143464301.db2.gz VEPWYJUFWZPBOY-CYBMUJFWSA-N 0 3 315.421 2.066 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(-c2ccccc2)on1 ZINC001341250758 1143570005 /nfs/dbraw/zinc/57/00/05/1143570005.db2.gz FGRMHORFVGCNOL-UHFFFAOYSA-N 0 3 312.373 2.418 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1N1CCOC1=O ZINC001341410744 1143597928 /nfs/dbraw/zinc/59/79/28/1143597928.db2.gz YQODAPPLZIIKCB-LBPRGKRZSA-N 0 3 303.362 2.265 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCCN1CCc2ccccc21 ZINC001341554530 1143628141 /nfs/dbraw/zinc/62/81/41/1143628141.db2.gz GELXCMBGNBFFER-INIZCTEOSA-N 0 3 301.434 2.239 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C ZINC001341593245 1143634667 /nfs/dbraw/zinc/63/46/67/1143634667.db2.gz LGSGBOFRGAARRZ-JSGCOSHPSA-N 0 3 301.390 2.039 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC001342032036 1143774386 /nfs/dbraw/zinc/77/43/86/1143774386.db2.gz IHCHXDOOJJWULP-UONOGXRCSA-N 0 3 310.438 2.108 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C#N)nc2)C1 ZINC001255596751 1143774546 /nfs/dbraw/zinc/77/45/46/1143774546.db2.gz WZQGUUPIPLTIDU-AWEZNQCLSA-N 0 3 302.378 2.052 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001342116611 1143792802 /nfs/dbraw/zinc/79/28/02/1143792802.db2.gz QWYKUOOHTDTQIL-RRFJBIMHSA-N 0 3 303.454 2.364 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(OC)cn1 ZINC001342183109 1143801805 /nfs/dbraw/zinc/80/18/05/1143801805.db2.gz JFODJVLTCZBSRK-HOCLYGCPSA-N 0 3 303.406 2.437 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](COC)c1cccc(OC)c1 ZINC001342202840 1143802701 /nfs/dbraw/zinc/80/27/01/1143802701.db2.gz KNFWFMUOOLMZHV-HOTGVXAUSA-N 0 3 306.406 2.183 20 30 DEEDHN N#CC(C(=O)COC(F)F)C(=O)Nc1ccccc1Cl ZINC001342597023 1143825748 /nfs/dbraw/zinc/82/57/48/1143825748.db2.gz GNVQUZYRCPPOJZ-SSDOTTSWSA-N 0 3 302.664 2.227 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cnn(C)c1Cl)C(C)C ZINC001278912518 1143830763 /nfs/dbraw/zinc/83/07/63/1143830763.db2.gz SAXQEPODWZJZSM-UHFFFAOYSA-N 0 3 312.845 2.432 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCCn1nc(C)cc1C ZINC001342695651 1143831303 /nfs/dbraw/zinc/83/13/03/1143831303.db2.gz IKUGNESNVDPBAQ-HNNXBMFYSA-N 0 3 318.421 2.295 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1ccc2nonc2c1)C(C)C ZINC001278917547 1143833507 /nfs/dbraw/zinc/83/35/07/1143833507.db2.gz DGQCNZCJRYNETN-UHFFFAOYSA-N 0 3 314.389 2.029 20 30 DEEDHN CN(C(=O)[C@@H](N)CCCC#N)c1ccc(Br)cc1 ZINC000723890865 1143846436 /nfs/dbraw/zinc/84/64/36/1143846436.db2.gz DXHVPSDBQMPPTO-LBPRGKRZSA-N 0 3 310.195 2.433 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2c(cccc2OC)C1)C(=O)N[O-] ZINC001256642341 1143859671 /nfs/dbraw/zinc/85/96/71/1143859671.db2.gz JEIQFDLRMZWXJE-GHJWDPDVSA-N 0 3 306.406 2.062 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H](C)Cc2ccncc2)C1 ZINC001256752601 1143866248 /nfs/dbraw/zinc/86/62/48/1143866248.db2.gz MBLLBESZHIDPEC-GDBMZVCRSA-N 0 3 303.406 2.389 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@H]1CCOC1)c1ccccc1CC ZINC001278969394 1143871157 /nfs/dbraw/zinc/87/11/57/1143871157.db2.gz JHFONMKSSFLZGB-FUHWJXTLSA-N 0 3 314.429 2.056 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]([C@@H](C)NCc2nc(C)oc2C)C1 ZINC001278991444 1143888617 /nfs/dbraw/zinc/88/86/17/1143888617.db2.gz ISLDKSXOOMYPGW-CJNGLKHVSA-N 0 3 317.433 2.422 20 30 DEEDHN C#C[C@H](NCC1(O)CCC(C(=O)OCC)CC1)c1ccccc1 ZINC001262569023 1144320007 /nfs/dbraw/zinc/32/00/07/1144320007.db2.gz NQZAOIDMSXGYEY-HFCFLWKCSA-N 0 3 315.413 2.435 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1CN1CCCC1=O ZINC001263077881 1144353823 /nfs/dbraw/zinc/35/38/23/1144353823.db2.gz SJUZECQKHSPWOJ-OAHLLOKOSA-N 0 3 315.417 2.431 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC1(C(=O)NCCCC)CCCCC1 ZINC001263080938 1144354228 /nfs/dbraw/zinc/35/42/28/1144354228.db2.gz NATGIHBCNGBKAB-OAHLLOKOSA-N 0 3 323.481 2.405 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001263113398 1144356752 /nfs/dbraw/zinc/35/67/52/1144356752.db2.gz HYPVTSJUVIBVHM-DLBZAZTESA-N 0 3 302.418 2.140 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001263113400 1144356795 /nfs/dbraw/zinc/35/67/95/1144356795.db2.gz HYPVTSJUVIBVHM-IRXDYDNUSA-N 0 3 302.418 2.140 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC001263111510 1144356865 /nfs/dbraw/zinc/35/68/65/1144356865.db2.gz FKZUHSDMEDWVAZ-IRXDYDNUSA-N 0 3 317.433 2.273 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC001263145625 1144358494 /nfs/dbraw/zinc/35/84/94/1144358494.db2.gz XWVFORGFLKSEGO-FUHWJXTLSA-N 0 3 302.418 2.444 20 30 DEEDHN C=CCOc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cc1OC ZINC001263201513 1144360915 /nfs/dbraw/zinc/36/09/15/1144360915.db2.gz HFJFIFUCYRDVIR-HZSPNIEDSA-N 0 3 318.417 2.471 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1c(C)noc1C ZINC001263820547 1144400047 /nfs/dbraw/zinc/40/00/47/1144400047.db2.gz BDNMHKUCGFKDGH-HNNXBMFYSA-N 0 3 305.422 2.333 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1c1ccccc1 ZINC001263885543 1144420300 /nfs/dbraw/zinc/42/03/00/1144420300.db2.gz BIYCQWYKGXHKPY-RYQLBKOJSA-N 0 3 316.445 2.308 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)CCOC ZINC001263946844 1144428762 /nfs/dbraw/zinc/42/87/62/1144428762.db2.gz YTPXKRANWIMISC-OCCSQVGLSA-N 0 3 302.846 2.382 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H]1CC ZINC001264050152 1144449258 /nfs/dbraw/zinc/44/92/58/1144449258.db2.gz COIFVXMXXVKINT-OUCADQQQSA-N 0 3 322.371 2.235 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001264073093 1144455744 /nfs/dbraw/zinc/45/57/44/1144455744.db2.gz JBKWRTAFTWMUGG-LBPRGKRZSA-N 0 3 312.797 2.018 20 30 DEEDHN C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001264183776 1144499281 /nfs/dbraw/zinc/49/92/81/1144499281.db2.gz ZNFAVFDTRIETMV-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001264183776 1144499290 /nfs/dbraw/zinc/49/92/90/1144499290.db2.gz ZNFAVFDTRIETMV-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CC[C@H]2CCOC2)C1 ZINC001264370418 1144516409 /nfs/dbraw/zinc/51/64/09/1144516409.db2.gz CCIPVQMXVIQCPR-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCOc1c(C)cccc1C ZINC001280821297 1144564564 /nfs/dbraw/zinc/56/45/64/1144564564.db2.gz FAXWSYDZXBXHPD-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C=CCOCC(=O)N1CCCCC[C@H](NCc2ccccn2)C1 ZINC001264672932 1144589415 /nfs/dbraw/zinc/58/94/15/1144589415.db2.gz KCRDGRVETFSHBW-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=C(C)CCC(=O)N1CCCCC[C@@H](NCc2cnnn2C)C1 ZINC001264678417 1144591223 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C#CCN(C)CCCN(C)C(=O)c1cnc(-c2ccco2)s1 ZINC001280879939 1144860970 /nfs/dbraw/zinc/86/09/70/1144860970.db2.gz BAXVMWFPCUCKCQ-UHFFFAOYSA-N 0 3 317.414 2.430 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](OCC)C(C)C)C2 ZINC001281084722 1144871298 /nfs/dbraw/zinc/87/12/98/1144871298.db2.gz FRSJUDJOBZWKGK-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1ncc(CN[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)s1 ZINC001281393567 1144886685 /nfs/dbraw/zinc/88/66/85/1144886685.db2.gz DMIVOIYKYFRCAJ-DOMZBBRYSA-N 0 3 305.447 2.047 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC001281600190 1144899266 /nfs/dbraw/zinc/89/92/66/1144899266.db2.gz HYYXDFKVXCKJSS-XFXZXTDPSA-N 0 3 312.841 2.038 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282116381 1144988512 /nfs/dbraw/zinc/98/85/12/1144988512.db2.gz YGYHLLCEGKNTPV-CABCVRRESA-N 0 3 309.413 2.471 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cccc(OC)n1 ZINC001282134926 1144996551 /nfs/dbraw/zinc/99/65/51/1144996551.db2.gz 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C=C[C@@](C)(CC)C(=O)N(C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001283572873 1145530034 /nfs/dbraw/zinc/53/00/34/1145530034.db2.gz WZVPSEWOXLHTJF-KRWDZBQOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COC[C@@H](C)c1ccccc1 ZINC001283703472 1145601176 /nfs/dbraw/zinc/60/11/76/1145601176.db2.gz CAPMWQSMGZLDDF-IAGOWNOFSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(CC)C(=O)CN1CCC[C@@H]1C ZINC001283747135 1145627759 /nfs/dbraw/zinc/62/77/59/1145627759.db2.gz YBNRGLMJWUNPRC-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1ccc(N2CCC(NCC3(C#N)CCOCC3)CC2)cc1 ZINC001364926643 1145683380 /nfs/dbraw/zinc/68/33/80/1145683380.db2.gz YTOAVEVTNLAHQM-UHFFFAOYSA-N 0 3 324.428 2.437 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2scnc2C)[C@H]1C ZINC001283941736 1145720423 /nfs/dbraw/zinc/72/04/23/1145720423.db2.gz ZJIVSJYPLGAEKL-ZIAGYGMSSA-N 0 3 323.462 2.123 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCOc2ccccc2C)C1 ZINC001284000835 1145743886 /nfs/dbraw/zinc/74/38/86/1145743886.db2.gz 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C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001284516717 1145866233 /nfs/dbraw/zinc/86/62/33/1145866233.db2.gz NYDQIVBWICOWIW-CRAIPNDOSA-N 0 3 318.461 2.290 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)CCn2cccc2)CC1 ZINC001284726375 1145896141 /nfs/dbraw/zinc/89/61/41/1145896141.db2.gz WMYHVBOPSRYKML-INIZCTEOSA-N 0 3 301.434 2.118 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@@H](C)c2ccco2)CC1 ZINC001284958426 1145993761 /nfs/dbraw/zinc/99/37/61/1145993761.db2.gz XAOWOEDTJQEFKJ-HNNXBMFYSA-N 0 3 318.417 2.334 20 30 DEEDHN Cc1ncoc1CN1CC[C@@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C1 ZINC001365903182 1146055322 /nfs/dbraw/zinc/05/53/22/1146055322.db2.gz JGJMZNYIFSFKHQ-GXTWGEPZSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)nn1C ZINC001365919617 1146908353 /nfs/dbraw/zinc/90/83/53/1146908353.db2.gz ITIYLYZBYQEAOO-ZIAGYGMSSA-N 0 3 324.856 2.454 20 30 DEEDHN CC(C)SCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001366089054 1147049415 /nfs/dbraw/zinc/04/94/15/1147049415.db2.gz 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/nfs/dbraw/zinc/32/05/14/1147320514.db2.gz XVFYIYQIMNUKEB-LLVKDONJSA-N 0 3 319.236 2.164 20 30 DEEDHN CN(C)CC#CCNc1cc(-c2ccccc2)nc2ccnn21 ZINC001307183218 1147403123 /nfs/dbraw/zinc/40/31/23/1147403123.db2.gz XRSBUZTZMMYCOI-UHFFFAOYSA-N 0 3 305.385 2.373 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC001366640229 1147428934 /nfs/dbraw/zinc/42/89/34/1147428934.db2.gz JQNMJJHOHVKSRI-UHFFFAOYSA-N 0 3 324.856 2.483 20 30 DEEDHN C#Cc1ccc(CNCc2cc(=O)n(-c3ccccc3)n2C)cc1 ZINC001308967119 1147490818 /nfs/dbraw/zinc/49/08/18/1147490818.db2.gz JPIRULYLKWCVQW-UHFFFAOYSA-N 0 3 317.392 2.447 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001317481327 1147513800 /nfs/dbraw/zinc/51/38/00/1147513800.db2.gz HKECNOTYPQYIEG-MSOLQXFVSA-N 0 3 316.445 2.401 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCCCN1C ZINC001310373887 1147516803 /nfs/dbraw/zinc/51/68/03/1147516803.db2.gz BXFZALBSBHNOHA-AWEZNQCLSA-N 0 3 319.380 2.444 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cc(C)ncn2)CC1 ZINC001317004081 1147578331 /nfs/dbraw/zinc/57/83/31/1147578331.db2.gz KSPYKFLKZPKRAM-UHFFFAOYSA-N 0 3 302.422 2.288 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](OC)C2CCC2)CC(C)(C)C1 ZINC001316810254 1147582701 /nfs/dbraw/zinc/58/27/01/1147582701.db2.gz HZVPFOAEYKNXJD-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@H]2C1 ZINC001316752989 1147594248 /nfs/dbraw/zinc/59/42/48/1147594248.db2.gz WCEVCRRPZDNGNY-DGEHHSODSA-N 0 3 318.461 2.019 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1occc1C(C)C ZINC001316763506 1147595702 /nfs/dbraw/zinc/59/57/02/1147595702.db2.gz VWNDRQOFQHWCOF-UHFFFAOYSA-N 0 3 306.406 2.057 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)C/C=C\Cl)nc1 ZINC001316908070 1147628678 /nfs/dbraw/zinc/62/86/78/1147628678.db2.gz VGRVJLOEAIIUCK-UITAMQMPSA-N 0 3 305.809 2.257 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CCN(CCc2cnn(C)c2)CC1 ZINC001316931476 1147634242 /nfs/dbraw/zinc/63/42/42/1147634242.db2.gz VKCYFTQWGSTILI-UHFFFAOYSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)C1 ZINC001316995809 1147646085 /nfs/dbraw/zinc/64/60/85/1147646085.db2.gz ZWCNUQHURFWVQK-HNNXBMFYSA-N 0 3 315.417 2.009 20 30 DEEDHN CCCC(C)(C)C(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001317002599 1147647089 /nfs/dbraw/zinc/64/70/89/1147647089.db2.gz OWLBASPDPYQKSC-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001317109163 1147660824 /nfs/dbraw/zinc/66/08/24/1147660824.db2.gz HUCHCIMSCIAODX-GASCZTMLSA-N 0 3 304.340 2.115 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](N[C@H](C)c3n[nH]c(C)n3)C2)CCC1 ZINC001317119530 1147662067 /nfs/dbraw/zinc/66/20/67/1147662067.db2.gz UBQACZWJQAOTFS-BNOWGMLFSA-N 0 3 317.437 2.157 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001317128975 1147663344 /nfs/dbraw/zinc/66/33/44/1147663344.db2.gz SRLJRKTUDDYLTM-CQSZACIVSA-N 0 3 308.447 2.279 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001317195494 1147674509 /nfs/dbraw/zinc/67/45/09/1147674509.db2.gz KAESKHIHVOUAGY-CABCVRRESA-N 0 3 319.453 2.186 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2cccc(F)c2)C1 ZINC001317202200 1147675801 /nfs/dbraw/zinc/67/58/01/1147675801.db2.gz FEALGYLDKWDEFW-GDBMZVCRSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001317267994 1147684638 /nfs/dbraw/zinc/68/46/38/1147684638.db2.gz KAYQAUBSCJKSLO-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1ccnc(OC)c1 ZINC001317269591 1147684861 /nfs/dbraw/zinc/68/48/61/1147684861.db2.gz GWSGDNVBYSMSKO-ZDUSSCGKSA-N 0 3 305.422 2.287 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2cc3n(n2)CCCC3)C1 ZINC001317312313 1147689219 /nfs/dbraw/zinc/68/92/19/1147689219.db2.gz GNNVGCYPPLZIEK-OAHLLOKOSA-N 0 3 316.449 2.124 20 30 DEEDHN CCC(=O)NC[C@@H](NCc1cc(C#N)ccc1OC)C(C)C ZINC001367437190 1147693926 /nfs/dbraw/zinc/69/39/26/1147693926.db2.gz KOXJMRCJOVVOOY-OAHLLOKOSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)C(C)C ZINC001367491471 1147701586 /nfs/dbraw/zinc/70/15/86/1147701586.db2.gz FEJYGUNBXIBXDI-KBPBESRZSA-N 0 3 314.857 2.286 20 30 DEEDHN COc1ccc(CN(C)CCN(C)C(=O)[C@H](C)C#N)cc1C ZINC001367511039 1147705785 /nfs/dbraw/zinc/70/57/85/1147705785.db2.gz OQAKIECQXVIXJW-CQSZACIVSA-N 0 3 303.406 2.054 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(Cc1ccc(C)cc1)C1CC1 ZINC001317549975 1147723805 /nfs/dbraw/zinc/72/38/05/1147723805.db2.gz NFXMCLQWIQJIRN-LJQANCHMSA-N 0 3 316.445 2.403 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(Cc1ccc(C)cc1)C1CC1 ZINC001317549974 1147723945 /nfs/dbraw/zinc/72/39/45/1147723945.db2.gz NFXMCLQWIQJIRN-IBGZPJMESA-N 0 3 316.445 2.403 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(C[C@H]2CC[C@@H](C)O2)C2CC2)C1 ZINC001317556671 1147724837 /nfs/dbraw/zinc/72/48/37/1147724837.db2.gz LEXHOLFCKFIESA-GDBMZVCRSA-N 0 3 306.450 2.491 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(C2CC2)CC1 ZINC001367677251 1147725773 /nfs/dbraw/zinc/72/57/73/1147725773.db2.gz PGLBHAJJGZRCQZ-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCN[C@H](C)C(=O)N(CC)CC)CC1 ZINC001317622746 1147734356 /nfs/dbraw/zinc/73/43/56/1147734356.db2.gz BPYAQNVZYIKMAG-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1nocc1CN(CCCNC(=O)C#CC(C)C)C(C)C ZINC001317687706 1147744388 /nfs/dbraw/zinc/74/43/88/1147744388.db2.gz RHONJFNSOOLCRU-UHFFFAOYSA-N 0 3 305.422 2.359 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1 ZINC001317723945 1147747334 /nfs/dbraw/zinc/74/73/34/1147747334.db2.gz KDVMYIUGGHRDRX-NCOADZHNSA-N 0 3 300.402 2.187 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](NCC=C)c2ccccc2)nc1 ZINC001317726996 1147747562 /nfs/dbraw/zinc/74/75/62/1147747562.db2.gz IHCCINNRJOBWRX-SFHVURJKSA-N 0 3 305.381 2.310 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccc(CC)cc2)C1 ZINC001317949214 1147762811 /nfs/dbraw/zinc/76/28/11/1147762811.db2.gz DTQUXIZHKLBKLO-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCOCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001318106081 1147771260 /nfs/dbraw/zinc/77/12/60/1147771260.db2.gz DGFAQRMDYACWBD-OAHLLOKOSA-N 0 3 302.418 2.307 20 30 DEEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cncn1 ZINC001318193318 1147795133 /nfs/dbraw/zinc/79/51/33/1147795133.db2.gz PRBUFCDFABAGLQ-PMPSAXMXSA-N 0 3 319.453 2.095 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC ZINC001318215544 1147799289 /nfs/dbraw/zinc/79/92/89/1147799289.db2.gz GZMLIOMCCZTAJG-ILXRZTDVSA-N 0 3 315.417 2.344 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001318253586 1147804659 /nfs/dbraw/zinc/80/46/59/1147804659.db2.gz UGKNPGQFZNSVRD-WMZOPIPTSA-N 0 3 314.429 2.032 20 30 DEEDHN CCO[C@H](CC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001367988721 1147818688 /nfs/dbraw/zinc/81/86/88/1147818688.db2.gz NKICMSISUKHNJN-MRXNPFEDSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)COc2ccc(OC)cc2)C1 ZINC001324671340 1147828852 /nfs/dbraw/zinc/82/88/52/1147828852.db2.gz CDOGZDPXHYSJOM-SFHVURJKSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCCc2nc(CCC)no2)C1 ZINC001324673334 1147829842 /nfs/dbraw/zinc/82/98/42/1147829842.db2.gz LXUYHUXRFOWKFX-QGZVFWFLSA-N 0 3 320.437 2.111 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001324970667 1147862598 /nfs/dbraw/zinc/86/25/98/1147862598.db2.gz BHIWCNYPWGXRSY-KRWDZBQOSA-N 0 3 302.422 2.305 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cccnn1)c1ccccc1CC ZINC001325367159 1147896536 /nfs/dbraw/zinc/89/65/36/1147896536.db2.gz RRONKVXDAURUKL-SFHVURJKSA-N 0 3 322.412 2.123 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)[C@H](CNCc2ncc(Cl)n2C)C1 ZINC001325491308 1147927233 /nfs/dbraw/zinc/92/72/33/1147927233.db2.gz BZIXVZINWJHAGN-QWHCGFSZSA-N 0 3 324.856 2.224 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1(COC)CCC1 ZINC001325693202 1147984698 /nfs/dbraw/zinc/98/46/98/1147984698.db2.gz DUDPZDOKGAXYON-UHFFFAOYSA-N 0 3 314.429 2.055 20 30 DEEDHN C=C(C)CCN1CCC[C@](CO)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001325832907 1148004659 /nfs/dbraw/zinc/00/46/59/1148004659.db2.gz FYSWIDIXKLRFGV-SFHVURJKSA-N 0 3 320.433 2.419 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001326236591 1148061842 /nfs/dbraw/zinc/06/18/42/1148061842.db2.gz BGOBZLANXVIUEW-KBPBESRZSA-N 0 3 300.830 2.136 20 30 DEEDHN COc1cccc2cc(CNC(=O)[C@@H](N)CCCCC#N)oc21 ZINC001326795862 1148248923 /nfs/dbraw/zinc/24/89/23/1148248923.db2.gz MPGZKEBNCVXMTH-AWEZNQCLSA-N 0 3 315.373 2.469 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(OC)cc2Cl)CCC1 ZINC001326903806 1148286791 /nfs/dbraw/zinc/28/67/91/1148286791.db2.gz UWRVUZXPGXVDAO-UHFFFAOYSA-N 0 3 306.793 2.224 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cnn(CC)c2C2CC2)CCC1 ZINC001326910825 1148288684 /nfs/dbraw/zinc/28/86/84/1148288684.db2.gz KPKYRECYMNQBSN-UHFFFAOYSA-N 0 3 314.433 2.046 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(F)c2)CC1 ZINC001327125720 1148332594 /nfs/dbraw/zinc/33/25/94/1148332594.db2.gz LBLVHFYWTXSJLZ-GOEBONIOSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000278542338 214225107 /nfs/dbraw/zinc/22/51/07/214225107.db2.gz GAPPWCIWBDODAS-LJQANCHMSA-N 0 3 316.445 2.137 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1c(F)cc(C#N)cc1F ZINC000153008022 282159013 /nfs/dbraw/zinc/15/90/13/282159013.db2.gz PFWXKRSXOYDSNY-YGRLFVJLSA-N 0 3 307.344 2.249 20 30 DEEDHN C#CCCOc1ccc(CN[C@H](COC)[C@H]2CCCO2)cc1 ZINC000278743155 214369791 /nfs/dbraw/zinc/36/97/91/214369791.db2.gz VQVZYIGVDTUIDN-QZTJIDSGSA-N 0 3 303.402 2.372 20 30 DEEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(F)c1 ZINC000188199814 529600687 /nfs/dbraw/zinc/60/06/87/529600687.db2.gz AXGNZDQMDYQFBZ-HYEKCJMVSA-N 0 3 317.364 2.393 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H](C)Cc1ccc(Cl)cc1 ZINC000272798808 210200258 /nfs/dbraw/zinc/20/02/58/210200258.db2.gz AZDFZMFOEGDEGE-LBPRGKRZSA-N 0 3 301.839 2.461 20 30 DEEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CC[C@H](C#N)C1 ZINC000442776848 529918455 /nfs/dbraw/zinc/91/84/55/529918455.db2.gz HSBDUJOXVXFIGS-QEORTHHSSA-N 0 3 310.401 2.107 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2csc3ccccc23)C1 ZINC001077470168 781924002 /nfs/dbraw/zinc/92/40/02/781924002.db2.gz CDNQLUASQDHUOG-HUUCEWRRSA-N 0 3 316.426 2.252 20 30 DEEDHN C=CC1CCN([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000111260324 185566637 /nfs/dbraw/zinc/56/66/37/185566637.db2.gz GMVWXSQDTLLPQO-CQSZACIVSA-N 0 3 315.417 2.299 20 30 DEEDHN COc1ccc(C)cc1CNC[C@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001421872187 1172074680 /nfs/dbraw/zinc/07/46/80/1172074680.db2.gz LPBVEODAYXCPLJ-KBPBESRZSA-N 0 3 303.406 2.100 20 30 DEEDHN C=CCCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000279883624 215204982 /nfs/dbraw/zinc/20/49/82/215204982.db2.gz UCUPGGGGFBRMBV-UHFFFAOYSA-N 0 3 301.434 2.281 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](NCCc1ccc(C#N)cc1)C(N)=O ZINC000595501815 358466690 /nfs/dbraw/zinc/46/66/90/358466690.db2.gz NFMNPAMUDZFJTM-RDTXWAMCSA-N 0 3 307.397 2.348 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)c2ccncc2)CC1 ZINC000173195535 198194258 /nfs/dbraw/zinc/19/42/58/198194258.db2.gz LUOINTLTTWWLQQ-MRXNPFEDSA-N 0 3 302.422 2.482 20 30 DEEDHN CN1CCC(CC(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000330181959 539934967 /nfs/dbraw/zinc/93/49/67/539934967.db2.gz OQYQCHKXIDTJMQ-UHFFFAOYSA-N 0 3 317.437 2.134 20 30 DEEDHN N#Cc1cccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1F ZINC000331984894 234351767 /nfs/dbraw/zinc/35/17/67/234351767.db2.gz UDBNESSXLCRDAT-GJZGRUSLSA-N 0 3 301.365 2.188 20 30 DEEDHN CCCCN(C)CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000595546308 358479869 /nfs/dbraw/zinc/47/98/69/358479869.db2.gz DDNXQWASLHOIJF-UHFFFAOYSA-N 0 3 302.422 2.132 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000024673584 354066694 /nfs/dbraw/zinc/06/66/94/354066694.db2.gz HSSJIMNUXRCJMW-AWEZNQCLSA-N 0 3 315.417 2.299 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CN1C1CC1 ZINC000595552977 358482300 /nfs/dbraw/zinc/48/23/00/358482300.db2.gz BYTBUALZGCCXNU-CZUORRHYSA-N 0 3 312.417 2.025 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000045030126 354247173 /nfs/dbraw/zinc/24/71/73/354247173.db2.gz VDMUVHQBGZWXSG-HNNXBMFYSA-N 0 3 320.393 2.351 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(F)(F)F ZINC000047011736 354301581 /nfs/dbraw/zinc/30/15/81/354301581.db2.gz JHEXKOXNZXESAV-UHFFFAOYSA-N 0 3 313.323 2.401 20 30 DEEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)no1 ZINC000047011485 354301934 /nfs/dbraw/zinc/30/19/34/354301934.db2.gz LQOYAPVMNMTEPW-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCn1cccn1)C(C)C ZINC000046049075 354270201 /nfs/dbraw/zinc/27/02/01/354270201.db2.gz JHAGEFKQZLZLQB-INIZCTEOSA-N 0 3 304.438 2.088 20 30 DEEDHN C[C@@H](CNC(=O)NCc1cccc(C#N)c1)N1CCC[C@@H](C)C1 ZINC000048978022 354356966 /nfs/dbraw/zinc/35/69/66/354356966.db2.gz QQRRSJPXLYSDPI-CABCVRRESA-N 0 3 314.433 2.478 20 30 DEEDHN C[C@@H](CNC(=O)NCC#Cc1ccccc1)N1CCC[C@H](C)C1 ZINC000048415801 354352004 /nfs/dbraw/zinc/35/20/04/354352004.db2.gz SAQJXHJPXXEOIL-IRXDYDNUSA-N 0 3 313.445 2.458 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCC#Cc1ccccc1 ZINC000056786635 354543242 /nfs/dbraw/zinc/54/32/42/354543242.db2.gz PEGCLXJRIJIQNH-DLBZAZTESA-N 0 3 313.445 2.458 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062230395 354633983 /nfs/dbraw/zinc/63/39/83/354633983.db2.gz VYHNUESPRSULOJ-INIZCTEOSA-N 0 3 317.458 2.272 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000067332291 354757226 /nfs/dbraw/zinc/75/72/26/354757226.db2.gz GIHPELCRXJRYPF-SJORKVTESA-N 0 3 300.377 2.143 20 30 DEEDHN Cc1nc(C(=O)N2CCC[C@H]2CN2CCCCC2)ccc1C#N ZINC000068133060 354799683 /nfs/dbraw/zinc/79/96/83/354799683.db2.gz AMAMNJKJVQVQRY-INIZCTEOSA-N 0 3 312.417 2.352 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000069608078 354871037 /nfs/dbraw/zinc/87/10/37/354871037.db2.gz DDWZOGLLCTXGHY-KRWDZBQOSA-N 0 3 307.482 2.361 20 30 DEEDHN C[C@H](NC(=O)NCCc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000595582174 358492371 /nfs/dbraw/zinc/49/23/71/358492371.db2.gz RNHNLADVQWGVCX-AWEZNQCLSA-N 0 3 312.417 2.050 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](COCC)C2)CC1 ZINC000073059387 354939827 /nfs/dbraw/zinc/93/98/27/354939827.db2.gz PNCIRJRWQUOPFO-MRXNPFEDSA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc(C)on1)C(C)C ZINC000073640433 354973180 /nfs/dbraw/zinc/97/31/80/354973180.db2.gz QSSPFJBPLQTEPM-MRXNPFEDSA-N 0 3 305.422 2.340 20 30 DEEDHN C=CC[C@@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073769843 354981273 /nfs/dbraw/zinc/98/12/73/354981273.db2.gz VZKMNTZWIBYFJU-MRXNPFEDSA-N 0 3 301.434 2.280 20 30 DEEDHN NC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000401754134 540142084 /nfs/dbraw/zinc/14/20/84/540142084.db2.gz PXEJMNHFRIHRBV-QMMMGPOBSA-N 0 3 318.192 2.464 20 30 DEEDHN CN(CCOc1ccc(C#N)cc1)[C@@H](CO)Cc1ccccc1 ZINC000595597610 358496519 /nfs/dbraw/zinc/49/65/19/358496519.db2.gz SWOQOBUFLAVVFU-GOSISDBHSA-N 0 3 310.397 2.472 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1c1c(C)cccc1C ZINC000595601203 358497877 /nfs/dbraw/zinc/49/78/77/358497877.db2.gz OIBCYTYYLFVOFW-OAHLLOKOSA-N 0 3 315.417 2.452 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCN(c2ccncc2)CC1 ZINC000121222961 355795315 /nfs/dbraw/zinc/79/53/15/355795315.db2.gz TZFGFJJARFEVDJ-UHFFFAOYSA-N 0 3 308.385 2.284 20 30 DEEDHN CC(C)OC1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000155154426 355946620 /nfs/dbraw/zinc/94/66/20/355946620.db2.gz LKZVFZJAXIOKFL-JCYILVPMSA-N 0 3 315.417 2.410 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC(N)=O)C1CCCCC1 ZINC000182072427 356108536 /nfs/dbraw/zinc/10/85/36/356108536.db2.gz XFAWFNLHAUOCGY-GDBMZVCRSA-N 0 3 323.481 2.213 20 30 DEEDHN COC(=O)CCN(Cc1ccc(C#N)c(C)c1)C[C@@H]1CCCO1 ZINC000618594391 363541898 /nfs/dbraw/zinc/54/18/98/363541898.db2.gz LQJWVXKXHPBGSD-KRWDZBQOSA-N 0 3 316.401 2.411 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1cc(C#N)ncn1 ZINC000383071620 356678657 /nfs/dbraw/zinc/67/86/57/356678657.db2.gz NGWDFZOXVLGNNR-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN N#Cc1cc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)ncn1 ZINC000384044301 356681366 /nfs/dbraw/zinc/68/13/66/356681366.db2.gz VQKVGNGDBNYDID-IAGOWNOFSA-N 0 3 319.412 2.307 20 30 DEEDHN C=CC(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579113670 356923813 /nfs/dbraw/zinc/92/38/13/356923813.db2.gz WIILVHAOCYPTOO-UHFFFAOYSA-N 0 3 312.391 2.170 20 30 DEEDHN N#Cc1ccsc1N1CC[C@@H](N2C[C@H]3CCC[C@@H]3C2)C1=O ZINC000152707431 283227338 /nfs/dbraw/zinc/22/73/38/283227338.db2.gz SICTYPWQOOUJOO-MGPQQGTHSA-N 0 3 301.415 2.457 20 30 DEEDHN Cc1nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1C#N ZINC000579628494 357007499 /nfs/dbraw/zinc/00/74/99/357007499.db2.gz UNFDZWHLPNFSHB-PBFPGSCMSA-N 0 3 312.417 2.064 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)[C@H]2C1 ZINC000581115289 357132841 /nfs/dbraw/zinc/13/28/41/357132841.db2.gz AGJYZNOYEPUVKY-HZMBPMFUSA-N 0 3 319.796 2.165 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)C2)cc1 ZINC000588289726 357405513 /nfs/dbraw/zinc/40/55/13/357405513.db2.gz LHFBMUGVFYEVRB-NSHDSACASA-N 0 3 321.402 2.246 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589307749 357462659 /nfs/dbraw/zinc/46/26/59/357462659.db2.gz BGBKEGCGJHLLIU-CQSZACIVSA-N 0 3 323.462 2.151 20 30 DEEDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)cn1 ZINC000591019643 357662274 /nfs/dbraw/zinc/66/22/74/357662274.db2.gz LPSCXOCGEIIXQE-UHFFFAOYSA-N 0 3 324.384 2.422 20 30 DEEDHN CCCN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000591912132 357792370 /nfs/dbraw/zinc/79/23/70/357792370.db2.gz YBIRFHNGCKJGCW-MRXNPFEDSA-N 0 3 300.406 2.184 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183151 357847798 /nfs/dbraw/zinc/84/77/98/357847798.db2.gz RVZXPECUGRNUEJ-HLLBOEOZSA-N 0 3 321.465 2.320 20 30 DEEDHN COC(=O)[C@@H]1CCCCCC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000276748644 213083579 /nfs/dbraw/zinc/08/35/79/213083579.db2.gz KLKAJVMSXHHOSZ-HZPDHXFCSA-N 0 3 303.406 2.498 20 30 DEEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000592507967 357890015 /nfs/dbraw/zinc/89/00/15/357890015.db2.gz KSFFAFJREQFFNC-HZPDHXFCSA-N 0 3 313.405 2.284 20 30 DEEDHN COc1ccc(C[C@H](C)CN2CC[C@@](O)(CC#N)C2)cc1F ZINC000592523063 357894437 /nfs/dbraw/zinc/89/44/37/357894437.db2.gz VHIBEEAHORGWAZ-GUYCJALGSA-N 0 3 306.381 2.363 20 30 DEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCN1CCCCC1 ZINC000593113761 358014171 /nfs/dbraw/zinc/01/41/71/358014171.db2.gz VCNHVWFEPASJII-OAHLLOKOSA-N 0 3 314.433 2.303 20 30 DEEDHN N#Cc1cccc(CN2CCC(N[C@H]3CCn4ccnc43)CC2)c1 ZINC000593725092 358130294 /nfs/dbraw/zinc/13/02/94/358130294.db2.gz JOLCZUOGEMQCHG-SFHVURJKSA-N 0 3 321.428 2.454 20 30 DEEDHN C[C@H](O)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000594065553 358200047 /nfs/dbraw/zinc/20/00/47/358200047.db2.gz SHZNBLTXKUYURE-ZDUSSCGKSA-N 0 3 310.401 2.304 20 30 DEEDHN CCC(C)(C)N1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000594390172 358254561 /nfs/dbraw/zinc/25/45/61/358254561.db2.gz TXGQPSIWKBKIIO-UHFFFAOYSA-N 0 3 314.433 2.303 20 30 DEEDHN N#Cc1ccc(NCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594422358 358265373 /nfs/dbraw/zinc/26/53/73/358265373.db2.gz YOCJABKXIBGHLW-IAGOWNOFSA-N 0 3 312.417 2.103 20 30 DEEDHN Cc1ccc(OCCN(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594428947 358266756 /nfs/dbraw/zinc/26/67/56/358266756.db2.gz OYRURPJKOIOHJR-INIZCTEOSA-N 0 3 303.406 2.244 20 30 DEEDHN COC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c(C#N)n1 ZINC000594601332 358302483 /nfs/dbraw/zinc/30/24/83/358302483.db2.gz OLMMTOLZKWCGON-CJNGLKHVSA-N 0 3 314.389 2.169 20 30 DEEDHN COc1ccc(N2C[C@H](NCc3ccc(C#N)cc3)CC2=O)cc1 ZINC000594967345 358371340 /nfs/dbraw/zinc/37/13/40/358371340.db2.gz WRICIUAVSLOCGV-MRXNPFEDSA-N 0 3 321.380 2.462 20 30 DEEDHN CN(c1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595258592 358407866 /nfs/dbraw/zinc/40/78/66/358407866.db2.gz DDLPZCNOTMBITN-IRXDYDNUSA-N 0 3 314.433 2.135 20 30 DEEDHN C=CCCSCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000595265516 358409328 /nfs/dbraw/zinc/40/93/28/358409328.db2.gz RCDZNHPRALXUCX-UHFFFAOYSA-N 0 3 305.447 2.398 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000595658678 358514262 /nfs/dbraw/zinc/51/42/62/358514262.db2.gz HDTSMGDQTKXTON-INIZCTEOSA-N 0 3 315.417 2.301 20 30 DEEDHN C=CCC1(NCCS(=O)(=O)c2ccc(C#N)cn2)CCCC1 ZINC000595780262 358547411 /nfs/dbraw/zinc/54/74/11/358547411.db2.gz NXWPWZBDSGUMEQ-UHFFFAOYSA-N 0 3 319.430 2.205 20 30 DEEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2F)CCOCC1 ZINC000595889297 358573369 /nfs/dbraw/zinc/57/33/69/358573369.db2.gz XGSFKRIBVLADRI-UHFFFAOYSA-N 0 3 320.364 2.289 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C)[C@@H]1CCO ZINC000595704774 358529167 /nfs/dbraw/zinc/52/91/67/358529167.db2.gz VJBQJMMHGKBZAR-ZBFHGGJFSA-N 0 3 318.417 2.429 20 30 DEEDHN N#Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c[nH]1 ZINC000181150571 199257360 /nfs/dbraw/zinc/25/73/60/199257360.db2.gz XGEKKFCJGPDPHI-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN COC(=O)c1ccc(N[C@@H](C)CN2CCC(C)CC2)c(C#N)n1 ZINC000596488840 358697469 /nfs/dbraw/zinc/69/74/69/358697469.db2.gz SCMQYKAEMNLWLA-ZDUSSCGKSA-N 0 3 316.405 2.272 20 30 DEEDHN CC1(C)CCC(O)(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000597223139 358860109 /nfs/dbraw/zinc/86/01/09/358860109.db2.gz LILMJKHBQLAWPT-UHFFFAOYSA-N 0 3 313.405 2.022 20 30 DEEDHN CCCCN(C)C(=O)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585633 359249943 /nfs/dbraw/zinc/24/99/43/359249943.db2.gz HQAOSQGSEQQKLA-MRXNPFEDSA-N 0 3 323.481 2.258 20 30 DEEDHN COc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)c(OC)c1 ZINC000598586257 359250667 /nfs/dbraw/zinc/25/06/67/359250667.db2.gz GDHDOCGDXBQYRQ-CQSZACIVSA-N 0 3 306.406 2.436 20 30 DEEDHN CCCNC(=O)c1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598714921 359302958 /nfs/dbraw/zinc/30/29/58/359302958.db2.gz KMJOCYXEVSDYCI-MRXNPFEDSA-N 0 3 317.433 2.217 20 30 DEEDHN COc1ccc2c(c1)OCC[C@@H]2NC[C@H](O)CC(C)(C)C#N ZINC000598722248 359305365 /nfs/dbraw/zinc/30/53/65/359305365.db2.gz ZKGWZEMQNRACKA-DOMZBBRYSA-N 0 3 304.390 2.409 20 30 DEEDHN C=CC[C@H]1CCCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000668494387 540673480 /nfs/dbraw/zinc/67/34/80/540673480.db2.gz YQBUKNHLPPKYEK-INIZCTEOSA-N 0 3 318.465 2.353 20 30 DEEDHN CN1CCC(n2cc(NC(=O)c3cc(C#N)cs3)cn2)CC1 ZINC000601770328 360140358 /nfs/dbraw/zinc/14/03/58/360140358.db2.gz DKRFNPMYGIYJIF-UHFFFAOYSA-N 0 3 315.402 2.335 20 30 DEEDHN CSC[C@@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602334456 360342664 /nfs/dbraw/zinc/34/26/64/360342664.db2.gz QRSKAYLZHSRLNK-NVXWUHKLSA-N 0 3 317.458 2.270 20 30 DEEDHN N#Cc1n[nH]cc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000602364147 360350007 /nfs/dbraw/zinc/35/00/07/360350007.db2.gz NRNKGTSJJNPKIZ-UHFFFAOYSA-N 0 3 309.373 2.132 20 30 DEEDHN CN(C)C1(CNCc2cccc(C#N)n2)Cc2ccccc2C1 ZINC000602549295 360428490 /nfs/dbraw/zinc/42/84/90/360428490.db2.gz AJYWUCKSPIGUHY-UHFFFAOYSA-N 0 3 306.413 2.142 20 30 DEEDHN C[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000602628434 360466157 /nfs/dbraw/zinc/46/61/57/360466157.db2.gz ASNKWEWVIWHHAZ-UHOFOFEASA-N 0 3 315.442 2.143 20 30 DEEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000602728630 360520699 /nfs/dbraw/zinc/52/06/99/360520699.db2.gz CQDMCYYZNKRAGT-SJCJKPOMSA-N 0 3 302.374 2.198 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602893835 360613734 /nfs/dbraw/zinc/61/37/34/360613734.db2.gz WIMSRBOPULFAFQ-DLBZAZTESA-N 0 3 318.392 2.497 20 30 DEEDHN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000602919075 360625893 /nfs/dbraw/zinc/62/58/93/360625893.db2.gz ZLQJIMKBYUXWMV-BMFZPTHFSA-N 0 3 313.401 2.057 20 30 DEEDHN C=C[C@H](O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000668986399 540762449 /nfs/dbraw/zinc/76/24/49/540762449.db2.gz GLGGBHWALSEUGT-PVAVHDDUSA-N 0 3 302.418 2.045 20 30 DEEDHN COC(=O)[C@@]1(C)CN(CCOc2ccccc2C#N)C[C@@H]1C ZINC000602928173 360629553 /nfs/dbraw/zinc/62/95/53/360629553.db2.gz XUDMZTDCSKFSBY-GUYCJALGSA-N 0 3 302.374 2.068 20 30 DEEDHN Cc1[nH]ncc1CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000602941166 360635879 /nfs/dbraw/zinc/63/58/79/360635879.db2.gz GRGYMRWXZYUFSN-UHFFFAOYSA-N 0 3 308.345 2.272 20 30 DEEDHN C[C@H]1CN(C(=O)Nc2ccnc(C#N)c2)CCN(C2CCC2)C1 ZINC000603121996 360709024 /nfs/dbraw/zinc/70/90/24/360709024.db2.gz GSBIUVWGPOZHFP-CYBMUJFWSA-N 0 3 313.405 2.291 20 30 DEEDHN CC(C)(C)[C@@H](N)c1cn(CCCC2(C#N)CCOCC2)nn1 ZINC000603232274 360757906 /nfs/dbraw/zinc/75/79/06/360757906.db2.gz HXQNURBBVSLEOE-AWEZNQCLSA-N 0 3 305.426 2.425 20 30 DEEDHN CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272028124 209398253 /nfs/dbraw/zinc/39/82/53/209398253.db2.gz TXWAGKYXVPYTRQ-QGZVFWFLSA-N 0 3 308.385 2.233 20 30 DEEDHN N#CCN1CCC(NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000609599727 361326280 /nfs/dbraw/zinc/32/62/80/361326280.db2.gz ZMIIMIJYYMLWRU-UHFFFAOYSA-N 0 3 303.797 2.065 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000609919745 361350091 /nfs/dbraw/zinc/35/00/91/361350091.db2.gz IPQPQMNDLAFYQP-GFCCVEGCSA-N 0 3 308.341 2.110 20 30 DEEDHN N#Cc1c(F)cccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489262 361407826 /nfs/dbraw/zinc/40/78/26/361407826.db2.gz UDZZGUQNJABFEA-CQSZACIVSA-N 0 3 303.381 2.388 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(CCC(C)C)nn2)[C@H]1C ZINC001088853583 781945600 /nfs/dbraw/zinc/94/56/00/781945600.db2.gz HWSUJPSWHIZFSB-CABCVRRESA-N 0 3 319.453 2.093 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CCC(=O)OCC)C1 ZINC000611037501 361516485 /nfs/dbraw/zinc/51/64/85/361516485.db2.gz SFEDMCPMNSPQHQ-INIZCTEOSA-N 0 3 324.465 2.466 20 30 DEEDHN Cc1nccn1CCCCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431992 361598644 /nfs/dbraw/zinc/59/86/44/361598644.db2.gz GNUDBMOZGNYAIO-QGZVFWFLSA-N 0 3 303.454 2.138 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000611623239 361648004 /nfs/dbraw/zinc/64/80/04/361648004.db2.gz RGDRVXOGSPZJFR-DOTOQJQBSA-N 0 3 314.433 2.357 20 30 DEEDHN C[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1cccnc1 ZINC000611932092 361707121 /nfs/dbraw/zinc/70/71/21/361707121.db2.gz GZOIPWMFCNKFQU-RHSMWYFYSA-N 0 3 311.385 2.238 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619827473 363882075 /nfs/dbraw/zinc/88/20/75/363882075.db2.gz OBKBUDDRDMMSND-AWEZNQCLSA-N 0 3 320.824 2.447 20 30 DEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000620931019 364205357 /nfs/dbraw/zinc/20/53/57/364205357.db2.gz XSWLUBAICFEOPF-UHFFFAOYSA-N 0 3 308.397 2.309 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292992686 223342382 /nfs/dbraw/zinc/34/23/82/223342382.db2.gz OBOCMAYZGJPFBL-DYVFJYSZSA-N 0 3 311.389 2.040 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCc3c(O)cccc3C2)CC1 ZINC000623634903 365110888 /nfs/dbraw/zinc/11/08/88/365110888.db2.gz FVMHDBIQGJWMPL-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN O=C(NCC#Cc1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264560722 283944327 /nfs/dbraw/zinc/94/43/27/283944327.db2.gz FMASTCZAIHGVNS-GOSISDBHSA-N 0 3 311.429 2.308 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CC3CC3)c2)CC1 ZINC000630943994 367926430 /nfs/dbraw/zinc/92/64/30/367926430.db2.gz UOKGFXLVRFZGRX-UHFFFAOYSA-N 0 3 302.422 2.063 20 30 DEEDHN C=CCCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631113250 368023437 /nfs/dbraw/zinc/02/34/37/368023437.db2.gz FJQZFNVCUPNSDI-UHFFFAOYSA-N 0 3 302.827 2.433 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000678048989 541669008 /nfs/dbraw/zinc/66/90/08/541669008.db2.gz AIGAOAJCEOFMNV-GOSISDBHSA-N 0 3 320.433 2.153 20 30 DEEDHN C=CCC[C@@H](CO)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453364204 245090284 /nfs/dbraw/zinc/09/02/84/245090284.db2.gz QZQMUSGVVLTGML-DOMZBBRYSA-N 0 3 312.435 2.036 20 30 DEEDHN C=C(C)Cn1c(C)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453451431 245145406 /nfs/dbraw/zinc/14/54/06/245145406.db2.gz JRTFKODFWCAMSH-IIAWOOMASA-N 0 3 303.454 2.329 20 30 DEEDHN C=C1CCN(C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1 ZINC000264569818 204002346 /nfs/dbraw/zinc/00/23/46/204002346.db2.gz UVMYBNVUZXNZHQ-MRXNPFEDSA-N 0 3 321.417 2.233 20 30 DEEDHN COCC#CCN(Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000679328971 541839994 /nfs/dbraw/zinc/83/99/94/541839994.db2.gz LOGKZOQKBGMUTC-GOSISDBHSA-N 0 3 305.418 2.164 20 30 DEEDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2C#N)CCCO1 ZINC000278228359 214035110 /nfs/dbraw/zinc/03/51/10/214035110.db2.gz SLGYGKQMWDILFA-CYBMUJFWSA-N 0 3 318.377 2.379 20 30 DEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000282499614 217043611 /nfs/dbraw/zinc/04/36/11/217043611.db2.gz NSBLLYWOAKHVLR-SJKOYZFVSA-N 0 3 302.374 2.198 20 30 DEEDHN C=CCOCCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000679486178 541861633 /nfs/dbraw/zinc/86/16/33/541861633.db2.gz RZZBYRKEDIKMDE-UHFFFAOYSA-N 0 3 315.373 2.140 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCCN1C ZINC000266358881 205291785 /nfs/dbraw/zinc/29/17/85/205291785.db2.gz DBJLPLOBZCQCRK-CYBMUJFWSA-N 0 3 305.353 2.053 20 30 DEEDHN CO[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C12CCC2 ZINC000458201172 248202200 /nfs/dbraw/zinc/20/22/00/248202200.db2.gz UBFLDECREFYNHG-BRWVUGGUSA-N 0 3 323.396 2.314 20 30 DEEDHN CC(C#N)C(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000492675851 249114611 /nfs/dbraw/zinc/11/46/11/249114611.db2.gz ROAGJSNGIRJUKO-DYVFJYSZSA-N 0 3 315.373 2.063 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(C(F)F)CC1 ZINC000307884195 291691885 /nfs/dbraw/zinc/69/18/85/291691885.db2.gz ZNFMUKMONVNRHK-AWEZNQCLSA-N 0 3 310.344 2.275 20 30 DEEDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCOC1 ZINC000274007841 211265823 /nfs/dbraw/zinc/26/58/23/211265823.db2.gz LLGDVFHWPDXEFJ-PWSUYJOCSA-N 0 3 307.781 2.165 20 30 DEEDHN CCN(CC)CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104488258 194012109 /nfs/dbraw/zinc/01/21/09/194012109.db2.gz HDPUJRSZCHTPQA-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCOCCC(C)C)CC1 ZINC000106267427 194193055 /nfs/dbraw/zinc/19/30/55/194193055.db2.gz QYEWVLDVAUSLST-UHFFFAOYSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCN(CCCC(=O)NC(N)=O)Cc1ccc(Cl)s1 ZINC000064431411 184296405 /nfs/dbraw/zinc/29/64/05/184296405.db2.gz CQYYIVKIAQOYDI-UHFFFAOYSA-N 0 3 315.826 2.365 20 30 DEEDHN C=CCN1CCC(NC(=O)c2coc(C(F)(F)F)n2)CC1 ZINC000682838560 542363097 /nfs/dbraw/zinc/36/30/97/542363097.db2.gz IQXQVNQLAGQBIR-UHFFFAOYSA-N 0 3 303.284 2.074 20 30 DEEDHN COCCN1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000538685826 285047274 /nfs/dbraw/zinc/04/72/74/285047274.db2.gz APYCQZJHVFYZKR-UHFFFAOYSA-N 0 3 321.808 2.052 20 30 DEEDHN N#Cc1cccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000270022805 208078191 /nfs/dbraw/zinc/07/81/91/208078191.db2.gz DYUAYVCEOKYPJV-FUHWJXTLSA-N 0 3 322.412 2.248 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(N)=O)c1)c1nccc2ccccc21 ZINC000682994612 542387966 /nfs/dbraw/zinc/38/79/66/542387966.db2.gz JTPJZUFLXUGMDQ-CYBMUJFWSA-N 0 3 304.309 2.152 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001574963079 1069309382 /nfs/dbraw/zinc/30/93/82/1069309382.db2.gz RLXNTAHKQAEECT-APHBMKBZSA-N 0 3 320.820 2.369 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NC[C@H]3CCCOC3)C2=O)cc1 ZINC000541871102 285192949 /nfs/dbraw/zinc/19/29/49/285192949.db2.gz GFADGJDZSMYZDS-WBVHZDCISA-N 0 3 313.401 2.070 20 30 DEEDHN COC[C@](C)(C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413632121 533182909 /nfs/dbraw/zinc/18/29/09/533182909.db2.gz ZGQDGFTUPIBFFV-SFHVURJKSA-N 0 3 315.417 2.331 20 30 DEEDHN C=CCOc1ccc(CNC[C@](C)(O)CSC)cc1OC ZINC000120619957 195202232 /nfs/dbraw/zinc/20/22/32/195202232.db2.gz XGPWCKDJGKWWLJ-INIZCTEOSA-N 0 3 311.447 2.464 20 30 DEEDHN C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000289997243 221369029 /nfs/dbraw/zinc/36/90/29/221369029.db2.gz RLFRRXUSSJWXNA-IPYPFGDCSA-N 0 3 321.446 2.141 20 30 DEEDHN C=CCCOCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000121792689 195347821 /nfs/dbraw/zinc/34/78/21/195347821.db2.gz HGXNOSFHRVPQHG-UHFFFAOYSA-N 0 3 305.422 2.140 20 30 DEEDHN COC[C@]1(CN[C@H]2CC[C@H](C#N)C2)OCCc2ccccc21 ZINC000353581542 533236789 /nfs/dbraw/zinc/23/67/89/533236789.db2.gz ZSXKDWUKXHYXCU-ZVZYQTTQSA-N 0 3 300.402 2.383 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](OC)C[C@@H]1C ZINC000441386906 533503309 /nfs/dbraw/zinc/50/33/09/533503309.db2.gz XJJZDMZWTVCFMT-ZFWWWQNUSA-N 0 3 304.390 2.445 20 30 DEEDHN COC(=O)COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000339099241 533557441 /nfs/dbraw/zinc/55/74/41/533557441.db2.gz RNJDTCFSYFWIFX-LSDHHAIUSA-N 0 3 302.374 2.362 20 30 DEEDHN Cc1cc(C)c(C#N)c(N2CCC(OCCN(C)C)CC2)n1 ZINC000356218802 133073063 /nfs/dbraw/zinc/07/30/63/133073063.db2.gz LYVRYQZHCGSMAU-UHFFFAOYSA-N 0 3 302.422 2.117 20 30 DEEDHN Cn1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)cc1C#N ZINC000359732450 133141888 /nfs/dbraw/zinc/14/18/88/133141888.db2.gz QOLNTKSSYQJRSF-CVEARBPZSA-N 0 3 319.355 2.224 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000359847253 133148776 /nfs/dbraw/zinc/14/87/76/133148776.db2.gz WVJLFZYJCNPFSK-KDOFPFPSSA-N 0 3 320.396 2.346 20 30 DEEDHN Cn1cc(CNCCc2nnc(-c3ccccc3)o2)cc1C#N ZINC000191459882 145059152 /nfs/dbraw/zinc/05/91/52/145059152.db2.gz MPDOHKCJTOKNGQ-UHFFFAOYSA-N 0 3 307.357 2.279 20 30 DEEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2ccnn2)cc1 ZINC000191486856 145059501 /nfs/dbraw/zinc/05/95/01/145059501.db2.gz FGTXJQFBKOFLBL-ZDUSSCGKSA-N 0 3 306.373 2.328 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000305635552 145343872 /nfs/dbraw/zinc/34/38/72/145343872.db2.gz HMYPWZJUGGAYJK-PMACEKPBSA-N 0 3 321.424 2.283 20 30 DEEDHN C[C@@H]1CCC[C@H](CO)N1CCC(=O)Nc1sccc1C#N ZINC000305879424 145348349 /nfs/dbraw/zinc/34/83/49/145348349.db2.gz TWNVGQDNKKNRBI-DGCLKSJQSA-N 0 3 307.419 2.184 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CN(C)C ZINC000346156543 146025792 /nfs/dbraw/zinc/02/57/92/146025792.db2.gz AZRPMXSLOCRYPN-XJKSGUPXSA-N 0 3 303.406 2.028 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000346182846 146032672 /nfs/dbraw/zinc/03/26/72/146032672.db2.gz JPZWCHDDAKRMSK-HDMKZQKVSA-N 0 3 311.429 2.289 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000346182847 146032750 /nfs/dbraw/zinc/03/27/50/146032750.db2.gz JPZWCHDDAKRMSK-MPGHIAIKSA-N 0 3 311.429 2.289 20 30 DEEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccco1 ZINC000359555648 147350979 /nfs/dbraw/zinc/35/09/79/147350979.db2.gz KWTAUKLITRJJFN-RISCZKNCSA-N 0 3 300.362 2.339 20 30 DEEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000370696932 148045969 /nfs/dbraw/zinc/04/59/69/148045969.db2.gz IQTQPDZIWZRMJU-YOEHRIQHSA-N 0 3 318.490 2.078 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372154182 148175796 /nfs/dbraw/zinc/17/57/96/148175796.db2.gz DCLORNLJKLRKLS-VNQPRFMTSA-N 0 3 313.401 2.244 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c(C#N)c1C ZINC000375425382 148370166 /nfs/dbraw/zinc/37/01/66/148370166.db2.gz GMBGWVBDAVLENU-COLVAYQJSA-N 0 3 317.389 2.252 20 30 DEEDHN C#CCCN1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000127250329 401726447 /nfs/dbraw/zinc/72/64/47/401726447.db2.gz PPJUSSQRKDXUND-UHFFFAOYSA-N 0 3 324.428 2.310 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COC1CCOCC1 ZINC000127340542 401729879 /nfs/dbraw/zinc/72/98/79/401729879.db2.gz FEXGDRCKNRTGIG-QGZVFWFLSA-N 0 3 305.418 2.231 20 30 DEEDHN COCC1(C#N)CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000347341170 292207470 /nfs/dbraw/zinc/20/74/70/292207470.db2.gz WDXMXSAWCGWWIH-OAHLLOKOSA-N 0 3 307.438 2.030 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Oc2ccccc2)CC1 ZINC000073216062 401716971 /nfs/dbraw/zinc/71/69/71/401716971.db2.gz CQACSHHBAAURQT-HNNXBMFYSA-N 0 3 317.433 2.404 20 30 DEEDHN CC(C)OCCOC[C@H](O)CN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000128196084 401766594 /nfs/dbraw/zinc/76/65/94/401766594.db2.gz GZSLXWMZSCTUPM-MAUKXSAKSA-N 0 3 320.433 2.354 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccnn2-c2ccccc2C)CC1 ZINC000113139232 401768243 /nfs/dbraw/zinc/76/82/43/401768243.db2.gz FSYXOMTXWSXDCJ-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN C=C[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000128589966 401784610 /nfs/dbraw/zinc/78/46/10/401784610.db2.gz ZMOUOVDABBQQTA-SOUVJXGZSA-N 0 3 309.454 2.092 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115554061 401831255 /nfs/dbraw/zinc/83/12/55/401831255.db2.gz DCWKUODVNSASFF-YCPHGPKFSA-N 0 3 315.417 2.265 20 30 DEEDHN C=CCOc1ccccc1CN1CCN(CC(C)(C)O)CC1 ZINC000129975697 401813850 /nfs/dbraw/zinc/81/38/50/401813850.db2.gz XOOVUIUAAKQISR-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN C[C@@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000135195984 401930313 /nfs/dbraw/zinc/93/03/13/401930313.db2.gz YZNOMBANOBWJSV-JKSUJKDBSA-N 0 3 315.461 2.375 20 30 DEEDHN Cc1sc(NC(=O)CN(C)CCN2CCCC2)c(C#N)c1C ZINC000089899930 401972056 /nfs/dbraw/zinc/97/20/56/401972056.db2.gz NTISKLHQSYCETN-UHFFFAOYSA-N 0 3 320.462 2.203 20 30 DEEDHN C#CCOc1ccc([C@@H](C)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000090183591 401980742 /nfs/dbraw/zinc/98/07/42/401980742.db2.gz XRNRAVUKQUNLOW-CQSZACIVSA-N 0 3 321.442 2.174 20 30 DEEDHN C=CCNC(=O)NCCc1ccc(OCCN2CCCC2)cc1 ZINC000091533105 401996444 /nfs/dbraw/zinc/99/64/44/401996444.db2.gz LONALCIGWMKBOK-UHFFFAOYSA-N 0 3 317.433 2.189 20 30 DEEDHN N#Cc1cccc(OCCN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135566340 401945460 /nfs/dbraw/zinc/94/54/60/401945460.db2.gz XUDPXCRVGCWGCC-HOTGVXAUSA-N 0 3 304.415 2.143 20 30 DEEDHN N#Cc1ccc(OCCCN2CCOC3(CCOCC3)C2)cc1 ZINC000135595286 401947120 /nfs/dbraw/zinc/94/71/20/401947120.db2.gz KGIGPUZKWALEDD-UHFFFAOYSA-N 0 3 316.401 2.209 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1CCO ZINC000049137641 402013195 /nfs/dbraw/zinc/01/31/95/402013195.db2.gz NNMMHBFSILZKSW-CYBMUJFWSA-N 0 3 307.419 2.185 20 30 DEEDHN N#CCCCOc1cccc(CN2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093808713 402020539 /nfs/dbraw/zinc/02/05/39/402020539.db2.gz ZMBINQHWKMFMFH-INIZCTEOSA-N 0 3 315.417 2.457 20 30 DEEDHN C=CCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000052635554 402045018 /nfs/dbraw/zinc/04/50/18/402045018.db2.gz LNMWHCWTZVAFNX-INIZCTEOSA-N 0 3 303.406 2.317 20 30 DEEDHN CN(C)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000056967423 402091722 /nfs/dbraw/zinc/09/17/22/402091722.db2.gz KFAUUQFEBWVPSQ-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@]2(CCOC2)C1 ZINC000153463725 402147035 /nfs/dbraw/zinc/14/70/35/402147035.db2.gz AEYWFXFKQZJSNG-KRWDZBQOSA-N 0 3 302.374 2.058 20 30 DEEDHN C=CCOc1ccc(/C=C/C(=O)NCCN(C)CC)cc1OC ZINC000066958812 402147776 /nfs/dbraw/zinc/14/77/76/402147776.db2.gz FRQNOLUQSVOUPM-CSKARUKUSA-N 0 3 318.417 2.341 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1OC ZINC000068342512 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ZINC000162102775 402409792 /nfs/dbraw/zinc/40/97/92/402409792.db2.gz NPWWFZQNEMCGND-UHFFFAOYSA-N 0 3 300.406 2.224 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177929205 402444895 /nfs/dbraw/zinc/44/48/95/402444895.db2.gz ZNZRSLCSLAYGQR-UHFFFAOYSA-N 0 3 302.353 2.469 20 30 DEEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000163715869 402455918 /nfs/dbraw/zinc/45/59/18/402455918.db2.gz VDKATXOFHOFQAJ-ZDUSSCGKSA-N 0 3 323.400 2.237 20 30 DEEDHN CCOC(=O)N1CCC([C@@H](C)NC[C@H](C#N)CCC#N)CC1 ZINC000187555065 402505087 /nfs/dbraw/zinc/50/50/87/402505087.db2.gz DPZIAMABAJWIPI-KGLIPLIRSA-N 0 3 306.410 2.277 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCCOc2ccccc2C#N)C1(C)C ZINC000189991144 402569061 /nfs/dbraw/zinc/56/90/61/402569061.db2.gz NORDVICLDVJLRR-SJLPKXTDSA-N 0 3 318.417 2.093 20 30 DEEDHN C=CCN1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000171715105 402613873 /nfs/dbraw/zinc/61/38/73/402613873.db2.gz LUGQQDHURBQTEJ-UHFFFAOYSA-N 0 3 315.442 2.417 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(NC(C)=O)c2)CC1 ZINC000171718395 402614366 /nfs/dbraw/zinc/61/43/66/402614366.db2.gz KMZRYLIYQYWEIM-UHFFFAOYSA-N 0 3 315.417 2.334 20 30 DEEDHN C=CCN1CCC(NC(=O)c2coc(Br)c2)CC1 ZINC000171719412 402614550 /nfs/dbraw/zinc/61/45/50/402614550.db2.gz NRKWOKGRIXNQGQ-UHFFFAOYSA-N 0 3 313.195 2.422 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc([C@H](C)O)cc2)CC1 ZINC000171729662 402615697 /nfs/dbraw/zinc/61/56/97/402615697.db2.gz RPPAITNLQIYZMT-AWEZNQCLSA-N 0 3 317.433 2.190 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000171741356 402617466 /nfs/dbraw/zinc/61/74/66/402617466.db2.gz HSZUNXUVDKQVQC-UHFFFAOYSA-N 0 3 319.405 2.476 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccnc(C)n1)C(C)C ZINC000171314434 402577466 /nfs/dbraw/zinc/57/74/66/402577466.db2.gz QLNFZJRSAPKKLZ-MRXNPFEDSA-N 0 3 302.422 2.213 20 30 DEEDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000181663710 402653564 /nfs/dbraw/zinc/65/35/64/402653564.db2.gz TXBJKBIBGGOUSI-DOMZBBRYSA-N 0 3 311.389 2.155 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(O)(CCC)CCC)CC1 ZINC000172584895 402664579 /nfs/dbraw/zinc/66/45/79/402664579.db2.gz ZUEHEUBUGZIMAR-UHFFFAOYSA-N 0 3 311.470 2.267 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cnn(C)c1C ZINC000183342899 402758769 /nfs/dbraw/zinc/75/87/69/402758769.db2.gz FAHAFGCVTWZBGF-LBPRGKRZSA-N 0 3 314.389 2.338 20 30 DEEDHN C=CCCCCCN1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000193426887 402770909 /nfs/dbraw/zinc/77/09/09/402770909.db2.gz DHVPSWGAOLTZEP-UHFFFAOYSA-N 0 3 302.484 2.479 20 30 DEEDHN C=C(C)CN(CC)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000175981710 402845986 /nfs/dbraw/zinc/84/59/86/402845986.db2.gz HAWPONVOWQHDEE-QGZVFWFLSA-N 0 3 303.450 2.304 20 30 DEEDHN N#Cc1ccc(NC(=O)CNC2(CO)CCCC2)cc1Cl ZINC000175999057 402847408 /nfs/dbraw/zinc/84/74/08/402847408.db2.gz LXUDOJNGUXTLLP-UHFFFAOYSA-N 0 3 307.781 2.045 20 30 DEEDHN N#CCCn1cc(CNC[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000278743199 402869930 /nfs/dbraw/zinc/86/99/30/402869930.db2.gz VRROKVAFTLBMAV-INIZCTEOSA-N 0 3 311.389 2.127 20 30 DEEDHN O=C(NCCN[C@H]1CCCc2sccc21)C1N=CC=CC1=O ZINC000271434066 402870902 /nfs/dbraw/zinc/87/09/02/402870902.db2.gz FGWJFTDJZXYELG-SUQMRRJOSA-N 0 3 317.414 2.242 20 30 DEEDHN COC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CCCO1 ZINC000278797129 402872630 /nfs/dbraw/zinc/87/26/30/402872630.db2.gz MQHKNOOWOVSWRF-JQFCIGGWSA-N 0 3 304.390 2.434 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000271896354 402885355 /nfs/dbraw/zinc/88/53/55/402885355.db2.gz NZBSUNADCULDEV-LSDHHAIUSA-N 0 3 302.422 2.308 20 30 DEEDHN O=C(NCC#Cc1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264560726 402889673 /nfs/dbraw/zinc/88/96/73/402889673.db2.gz FMASTCZAIHGVNS-SFHVURJKSA-N 0 3 311.429 2.308 20 30 DEEDHN CC1(C)C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000280145834 402968651 /nfs/dbraw/zinc/96/86/51/402968651.db2.gz RHMLUKVSGGVODN-HZPDHXFCSA-N 0 3 311.385 2.314 20 30 DEEDHN C#CCSCCNCc1ccc(Cl)cc1-n1cncn1 ZINC000279543885 402954156 /nfs/dbraw/zinc/95/41/56/402954156.db2.gz ASVAHWMQBDIUTE-UHFFFAOYSA-N 0 3 306.822 2.377 20 30 DEEDHN N#CCCCCN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000272952480 402962146 /nfs/dbraw/zinc/96/21/46/402962146.db2.gz DTBPICUFVMXXKU-ZDUSSCGKSA-N 0 3 313.323 2.385 20 30 DEEDHN CC(C)COCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279838016 402963608 /nfs/dbraw/zinc/96/36/08/402963608.db2.gz ZRBDRLQKRRBPNA-KRWDZBQOSA-N 0 3 313.401 2.419 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N1CCCN(C2CCCC2)CC1 ZINC000265609861 402933058 /nfs/dbraw/zinc/93/30/58/402933058.db2.gz UUBFDCRANOAYDV-UHFFFAOYSA-N 0 3 315.377 2.316 20 30 DEEDHN Cc1ccnc(NCc2ccnc(OCCN(C)C)c2)c1C#N ZINC000273330296 402995068 /nfs/dbraw/zinc/99/50/68/402995068.db2.gz LWIHDGXQSAGHBM-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN COCCN(C)CCCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280421930 402998358 /nfs/dbraw/zinc/99/83/58/402998358.db2.gz WWZGZOCVWAQKEZ-UHFFFAOYSA-N 0 3 317.433 2.186 20 30 DEEDHN CS[C@@H]1CN(c2ncc(Cl)c(C)c2C#N)C[C@@H]1N(C)C ZINC000273404045 403001743 /nfs/dbraw/zinc/00/17/43/403001743.db2.gz WRXXUWWQWHZEEY-QWHCGFSZSA-N 0 3 310.854 2.397 20 30 DEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000273418489 403003140 /nfs/dbraw/zinc/00/31/40/403003140.db2.gz IVNAENYELFLJHK-DZGCQCFKSA-N 0 3 309.406 2.308 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000280555018 403012562 /nfs/dbraw/zinc/01/25/62/403012562.db2.gz JQAOQFPEKBFWEY-DOTOQJQBSA-N 0 3 322.474 2.393 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000280586343 403016309 /nfs/dbraw/zinc/01/63/09/403016309.db2.gz SLNUPSQRWLFHLV-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN CN(C)[C@@]1(CNc2ccc(C#N)cc2[N+](=O)[O-])CCSC1 ZINC000267111907 403016579 /nfs/dbraw/zinc/01/65/79/403016579.db2.gz RKMWOBYCKWZZPY-CQSZACIVSA-N 0 3 306.391 2.316 20 30 DEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280650399 403023291 /nfs/dbraw/zinc/02/32/91/403023291.db2.gz ZCLZVZYLWARIDR-ROUUACIJSA-N 0 3 323.396 2.140 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000280666976 403025180 /nfs/dbraw/zinc/02/51/80/403025180.db2.gz PNVQVMVBVXFYRL-BETUJISGSA-N 0 3 319.405 2.079 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC[C@H]2Cn2cnc3ccccc32)C1=O ZINC000281142129 403059423 /nfs/dbraw/zinc/05/94/23/403059423.db2.gz ATFDESSYJDAGPL-MAUKXSAKSA-N 0 3 324.428 2.288 20 30 DEEDHN CCC(CC)[C@@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281492464 403069966 /nfs/dbraw/zinc/06/99/66/403069966.db2.gz HTLBYTAVTZODKQ-SJORKVTESA-N 0 3 313.401 2.154 20 30 DEEDHN CC(C)(C)C[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281684113 403081507 /nfs/dbraw/zinc/08/15/07/403081507.db2.gz UTDCONUFZXPGIE-HZPDHXFCSA-N 0 3 313.401 2.154 20 30 DEEDHN C=CCC[C@H](O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000268512991 403090329 /nfs/dbraw/zinc/09/03/29/403090329.db2.gz CPJIYWYYDFWGGW-HOTGVXAUSA-N 0 3 321.396 2.349 20 30 DEEDHN CC[C@H](C(=O)N(CCC#N)Cc1cccnc1)N(CC)CC ZINC000274164861 403031951 /nfs/dbraw/zinc/03/19/51/403031951.db2.gz MTTYKPYOKMBVMN-MRXNPFEDSA-N 0 3 302.422 2.444 20 30 DEEDHN CO[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000281911821 403103830 /nfs/dbraw/zinc/10/38/30/403103830.db2.gz SFGYNZGRUIINEV-IAOVAPTHSA-N 0 3 311.385 2.266 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000268690924 403106742 /nfs/dbraw/zinc/10/67/42/403106742.db2.gz ZYOKOKQBOHOHRH-HNNXBMFYSA-N 0 3 315.417 2.294 20 30 DEEDHN C#CCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274858205 403094880 /nfs/dbraw/zinc/09/48/80/403094880.db2.gz STLBYVQMWHGDSV-UHFFFAOYSA-N 0 3 313.361 2.007 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C[C@H](C)O ZINC000269811019 403167594 /nfs/dbraw/zinc/16/75/94/403167594.db2.gz OVJCXGVBNLCETG-DZGCQCFKSA-N 0 3 304.390 2.181 20 30 DEEDHN C=CCOc1ccc(CN(CCO)CCCOC)cc1OC ZINC000275992015 403137877 /nfs/dbraw/zinc/13/78/77/403137877.db2.gz NRJDKOYVRLBUAM-UHFFFAOYSA-N 0 3 309.406 2.091 20 30 DEEDHN C=CCC[C@H](NCCN1CCN(C(C)=O)CC1)c1ccco1 ZINC000276511680 403182389 /nfs/dbraw/zinc/18/23/89/403182389.db2.gz ZMRAIJIOGLFQGX-INIZCTEOSA-N 0 3 305.422 2.041 20 30 DEEDHN C#CCCN1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000270378397 403185444 /nfs/dbraw/zinc/18/54/44/403185444.db2.gz XLRTVVOZDYCLMB-UHFFFAOYSA-N 0 3 314.433 2.239 20 30 DEEDHN COC(=O)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000345337467 403292122 /nfs/dbraw/zinc/29/21/22/403292122.db2.gz WXLFOWWPECVJLG-UHFFFAOYSA-N 0 3 302.374 2.212 20 30 DEEDHN C#CCCCN1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000271054754 403259070 /nfs/dbraw/zinc/25/90/70/403259070.db2.gz QTEJDQIGBNKRDL-UHFFFAOYSA-N 0 3 302.418 2.235 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000271081977 403262398 /nfs/dbraw/zinc/26/23/98/403262398.db2.gz YRAOBVXVQIDTRM-OAHLLOKOSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000271081977 403262400 /nfs/dbraw/zinc/26/24/00/403262400.db2.gz YRAOBVXVQIDTRM-OAHLLOKOSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000271081977 403262402 /nfs/dbraw/zinc/26/24/02/403262402.db2.gz YRAOBVXVQIDTRM-OAHLLOKOSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc([C@H](CN(C)C)NC(=O)CC(C)(C)C#N)cc1 ZINC000284461737 403268160 /nfs/dbraw/zinc/26/81/60/403268160.db2.gz TYONELGNIXIENY-HNNXBMFYSA-N 0 3 303.406 2.354 20 30 DEEDHN Cc1nccn1CCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292071804 403283890 /nfs/dbraw/zinc/28/38/90/403283890.db2.gz CVHIODUXUIEAIR-INIZCTEOSA-N 0 3 311.389 2.002 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H](O)c3ccccc3)C2)nc1 ZINC000292332501 403356457 /nfs/dbraw/zinc/35/64/57/403356457.db2.gz WMGYYKUSSKQEML-DLBZAZTESA-N 0 3 309.369 2.140 20 30 DEEDHN N#CCc1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000342698362 403312666 /nfs/dbraw/zinc/31/26/66/403312666.db2.gz SWFCGRODNWCCBO-SFHVURJKSA-N 0 3 311.429 2.491 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000342726576 403324064 /nfs/dbraw/zinc/32/40/64/403324064.db2.gz GMWHMCCPVSCHBG-HUUCEWRRSA-N 0 3 318.417 2.181 20 30 DEEDHN CC1(C)CC[C@H](CN2CC[C@H](Oc3ccc(C#N)cn3)C2)O1 ZINC000292254483 403335674 /nfs/dbraw/zinc/33/56/74/403335674.db2.gz RBCOBTFAHLDTGI-LSDHHAIUSA-N 0 3 301.390 2.364 20 30 DEEDHN C#CCSCCNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000298551428 403411738 /nfs/dbraw/zinc/41/17/38/403411738.db2.gz UVJNHGYZXBYSTK-HNNXBMFYSA-N 0 3 304.459 2.368 20 30 DEEDHN COc1ccc([C@H](CN(C)C)NC(=O)C#Cc2ccccc2)cc1 ZINC000285994249 403426399 /nfs/dbraw/zinc/42/63/99/403426399.db2.gz IHJWNSMHSWJWHN-IBGZPJMESA-N 0 3 322.408 2.466 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293260697 403427934 /nfs/dbraw/zinc/42/79/34/403427934.db2.gz BYKNSEKAUXAWHI-INIZCTEOSA-N 0 3 314.433 2.228 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000298691280 403440975 /nfs/dbraw/zinc/44/09/75/403440975.db2.gz ONQZXTSSZSMJGW-NVXWUHKLSA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000343076744 403454392 /nfs/dbraw/zinc/45/43/92/403454392.db2.gz NYETZGYZAJNWQA-HUUCEWRRSA-N 0 3 315.417 2.316 20 30 DEEDHN C=CCCCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000343145550 403476873 /nfs/dbraw/zinc/47/68/73/403476873.db2.gz KRTKZYUBDCUKGV-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C#N)c(C)c1 ZINC000345899994 403525630 /nfs/dbraw/zinc/52/56/30/403525630.db2.gz NFOGKQREAVMMKR-GXTWGEPZSA-N 0 3 317.414 2.303 20 30 DEEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)N(C)C ZINC000299126654 403528855 /nfs/dbraw/zinc/52/88/55/403528855.db2.gz XOZHHPDVMSABLO-STQMWFEESA-N 0 3 324.222 2.470 20 30 DEEDHN C#CCOc1ccccc1CN1CCC2(CC1)OCCCO2 ZINC000293752425 403555685 /nfs/dbraw/zinc/55/56/85/403555685.db2.gz WYCSTXFMGAISEN-UHFFFAOYSA-N 0 3 301.386 2.428 20 30 DEEDHN C=CCOCCN[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000293544156 403500647 /nfs/dbraw/zinc/50/06/47/403500647.db2.gz KLSHCFMYXBPOHL-CQSZACIVSA-N 0 3 303.406 2.460 20 30 DEEDHN C#CCNC(=O)CCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000293564866 403506216 /nfs/dbraw/zinc/50/62/16/403506216.db2.gz SFJXQJIGXFYJGK-UHFFFAOYSA-N 0 3 314.307 2.157 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N(C)C ZINC000343242368 403507586 /nfs/dbraw/zinc/50/75/86/403507586.db2.gz YMUIEVUQBKOHFU-XJKSGUPXSA-N 0 3 303.406 2.028 20 30 DEEDHN COc1ccccc1NC(=O)C1CCN(C(=O)C(C)C#N)CC1 ZINC000345846065 403508128 /nfs/dbraw/zinc/50/81/28/403508128.db2.gz NUQYPJDWTFJWQC-LBPRGKRZSA-N 0 3 315.373 2.032 20 30 DEEDHN CC(C#N)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000346448391 403590137 /nfs/dbraw/zinc/59/01/37/403590137.db2.gz SLYFWWUTENCHQE-SSDOTTSWSA-N 0 3 321.686 2.408 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000346848828 403605286 /nfs/dbraw/zinc/60/52/86/403605286.db2.gz OGNOUBCEXDBIFW-MOPGFXCFSA-N 0 3 322.408 2.479 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)Nc1ccn(CCC#N)n1 ZINC000287230385 403557452 /nfs/dbraw/zinc/55/74/52/403557452.db2.gz IJRRLRBFBBPFGW-UHFFFAOYSA-N 0 3 318.425 2.136 20 30 DEEDHN C=CCN(C[C@@H](O)COc1ccc(CCOC)cc1)C1CC1 ZINC000293768308 403559456 /nfs/dbraw/zinc/55/94/56/403559456.db2.gz KPXLYNJAJMXRQT-QGZVFWFLSA-N 0 3 305.418 2.266 20 30 DEEDHN CC[C@@H]1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CCO1 ZINC000332381735 403566155 /nfs/dbraw/zinc/56/61/55/403566155.db2.gz HFCLMNDUBSFSAN-NVXWUHKLSA-N 0 3 314.433 2.280 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)COc1ccccc1C#N ZINC000287304933 403571273 /nfs/dbraw/zinc/57/12/73/403571273.db2.gz LONDUJKDHNPNEY-UHFFFAOYSA-N 0 3 315.417 2.271 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346191001 403578674 /nfs/dbraw/zinc/57/86/74/403578674.db2.gz LZXDGMRNLGYNMN-NNXHMXCWSA-N 0 3 306.450 2.156 20 30 DEEDHN C=CCOCCCN[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000346877915 403606583 /nfs/dbraw/zinc/60/65/83/403606583.db2.gz MUZVDASAIYJVEI-FUHWJXTLSA-N 0 3 315.417 2.068 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000347092692 403615296 /nfs/dbraw/zinc/61/52/96/403615296.db2.gz APMTXHYQLVNLAV-VXGBXAGGSA-N 0 3 307.344 2.205 20 30 DEEDHN COC(=O)[C@@H](CNC(=O)C(C)C#N)Cc1cccc2ccccc21 ZINC000347101934 403615511 /nfs/dbraw/zinc/61/55/11/403615511.db2.gz HAKDWQQOPWNITD-XJKSGUPXSA-N 0 3 324.380 2.447 20 30 DEEDHN CS(=O)(=O)CC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000293958402 403610296 /nfs/dbraw/zinc/61/02/96/403610296.db2.gz ZTCIOWNMTTUWBO-UHFFFAOYSA-N 0 3 324.421 2.390 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC2CCC2)cc1 ZINC000294022421 403626628 /nfs/dbraw/zinc/62/66/28/403626628.db2.gz QQVAHTWADOEEBT-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000294036485 403630973 /nfs/dbraw/zinc/63/09/73/403630973.db2.gz SBLBEQABRMNLOW-UHFFFAOYSA-N 0 3 302.418 2.044 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCSCc1ccccc1 ZINC000294073252 403640740 /nfs/dbraw/zinc/64/07/40/403640740.db2.gz WARUPIOVLXSWQO-UHFFFAOYSA-N 0 3 304.459 2.381 20 30 DEEDHN N#Cc1cc(NC[C@@H]2CCCCN2C2CC2)cc(N)c1[N+](=O)[O-] ZINC000287760137 403661112 /nfs/dbraw/zinc/66/11/12/403661112.db2.gz NFEZQYGUHISYDY-AWEZNQCLSA-N 0 3 315.377 2.477 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(CCF)c1)C(C)C ZINC000287764860 403662088 /nfs/dbraw/zinc/66/20/88/403662088.db2.gz XUIONPBBLPJWRO-INIZCTEOSA-N 0 3 322.428 2.281 20 30 DEEDHN N#C[C@H]1CC[C@H](N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000294187971 403668641 /nfs/dbraw/zinc/66/86/41/403668641.db2.gz QVCQYYGKJJOJFB-OKYOBFRVSA-N 0 3 311.429 2.264 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cn1 ZINC000301860226 403691782 /nfs/dbraw/zinc/69/17/82/403691782.db2.gz DFKUVCTVGMPXFB-ROUUACIJSA-N 0 3 308.385 2.001 20 30 DEEDHN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCCCC1 ZINC000343695870 403696583 /nfs/dbraw/zinc/69/65/83/403696583.db2.gz SIDBRHTYKWNLKU-CYBMUJFWSA-N 0 3 321.446 2.285 20 30 DEEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2cccc(F)c2)n1 ZINC000288051787 403715911 /nfs/dbraw/zinc/71/59/11/403715911.db2.gz XTEJEZVLZWDFQD-UHFFFAOYSA-N 0 3 313.380 2.364 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000343813712 403743998 /nfs/dbraw/zinc/74/39/98/403743998.db2.gz QNWXGUBAQSWTDY-HNNXBMFYSA-N 0 3 311.470 2.483 20 30 DEEDHN CN(C)C(=O)C1(NCc2ccc(OCC#N)cc2)CCCCC1 ZINC000295081734 403753383 /nfs/dbraw/zinc/75/33/83/403753383.db2.gz DZVRNHYJDMOTRN-UHFFFAOYSA-N 0 3 315.417 2.470 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000341073226 403761378 /nfs/dbraw/zinc/76/13/78/403761378.db2.gz RUYHAMJAWIECCY-WWGRRREGSA-N 0 3 300.406 2.401 20 30 DEEDHN COCCCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354462242 403813321 /nfs/dbraw/zinc/81/33/21/403813321.db2.gz GZCMPCDKALPSGD-OAHLLOKOSA-N 0 3 311.341 2.382 20 30 DEEDHN CCCNC(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354474950 403824698 /nfs/dbraw/zinc/82/46/98/403824698.db2.gz XMAAZURYXDFUQF-CQSZACIVSA-N 0 3 308.341 2.106 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000305104360 403833163 /nfs/dbraw/zinc/83/31/63/403833163.db2.gz YVVPCPQXVLJVAH-INIZCTEOSA-N 0 3 320.433 2.418 20 30 DEEDHN CCC[C@]1(CO)CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000288840851 403779192 /nfs/dbraw/zinc/77/91/92/403779192.db2.gz OPURXFNOWIWIMZ-SFHVURJKSA-N 0 3 318.417 2.430 20 30 DEEDHN Cc1cccc(OC[C@@H](O)CNCc2cc(C#N)cs2)c1 ZINC000304674240 403798679 /nfs/dbraw/zinc/79/86/79/403798679.db2.gz XITQBPZIDCZCOR-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000361774718 403857544 /nfs/dbraw/zinc/85/75/44/403857544.db2.gz ZDHSPLFLFXOBNE-KBPBESRZSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(CCC)CCc1cccs1 ZINC000411555490 403894275 /nfs/dbraw/zinc/89/42/75/403894275.db2.gz SAYSRSANDREVEO-ZDUSSCGKSA-N 0 3 323.462 2.403 20 30 DEEDHN C=C(CC)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411591606 403904466 /nfs/dbraw/zinc/90/44/66/403904466.db2.gz RMBGSRFIPXMGGV-UHFFFAOYSA-N 0 3 303.406 2.078 20 30 DEEDHN N#Cc1cccc(CNC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000305674072 403909668 /nfs/dbraw/zinc/90/96/68/403909668.db2.gz YPAOOUJEILCLAN-VQTJNVASSA-N 0 3 321.424 2.283 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411646844 403922544 /nfs/dbraw/zinc/92/25/44/403922544.db2.gz WLTNZBGVSLGPMN-UHFFFAOYSA-N 0 3 321.440 2.224 20 30 DEEDHN C=CCOCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000354656970 403931909 /nfs/dbraw/zinc/93/19/09/403931909.db2.gz OSTMUVNJNOLDMX-UHFFFAOYSA-N 0 3 302.418 2.012 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347904381 403944580 /nfs/dbraw/zinc/94/45/80/403944580.db2.gz WGEOGJGNTZLFAG-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000289844755 404002390 /nfs/dbraw/zinc/00/23/90/404002390.db2.gz NMGJHNXHKLCCBR-SFHVURJKSA-N 0 3 317.433 2.094 20 30 DEEDHN N#C[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CCO1 ZINC000412046458 404083390 /nfs/dbraw/zinc/08/33/90/404083390.db2.gz UDBTWJYOWIYNNJ-KRWDZBQOSA-N 0 3 313.401 2.037 20 30 DEEDHN CO[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000348338557 404060559 /nfs/dbraw/zinc/06/05/59/404060559.db2.gz HWBRQOLDBBOQJI-HRCADAONSA-N 0 3 311.385 2.170 20 30 DEEDHN C[C@H](c1cnn(C)c1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348420014 404068824 /nfs/dbraw/zinc/06/88/24/404068824.db2.gz ZJOXXDCWSXEUCP-CJNGLKHVSA-N 0 3 321.384 2.194 20 30 DEEDHN CCOC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)C(C)C ZINC000348435594 404070291 /nfs/dbraw/zinc/07/02/91/404070291.db2.gz CDVJNJCWLYPQOQ-LSDHHAIUSA-N 0 3 309.454 2.368 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(C#N)c1C ZINC000296137489 404108898 /nfs/dbraw/zinc/10/88/98/404108898.db2.gz JJOHOZZLJSXJQH-NILFDRSVSA-N 0 3 317.389 2.110 20 30 DEEDHN CC(=O)N[C@H](CC(=O)N1CCN2CCC[C@@H]2C1)c1cccs1 ZINC000328670712 404128885 /nfs/dbraw/zinc/12/88/85/404128885.db2.gz MVPQXQSVVVQAPT-ZIAGYGMSSA-N 0 3 321.446 2.462 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328700392 404134198 /nfs/dbraw/zinc/13/41/98/404134198.db2.gz MRPIUCCYKVRKIA-KBPBESRZSA-N 0 3 322.453 2.216 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000363672306 404217267 /nfs/dbraw/zinc/21/72/67/404217267.db2.gz MPRXTTKUXSCDNK-WBVHZDCISA-N 0 3 322.474 2.012 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000328926717 404174311 /nfs/dbraw/zinc/17/43/11/404174311.db2.gz FIIMXMGNJPNEKD-RRFJBIMHSA-N 0 3 320.437 2.329 20 30 DEEDHN CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000349744211 404182604 /nfs/dbraw/zinc/18/26/04/404182604.db2.gz MDIUIJBRLGMPHJ-KBRIMQKVSA-N 0 3 311.385 2.266 20 30 DEEDHN C[C@@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344511486 404194054 /nfs/dbraw/zinc/19/40/54/404194054.db2.gz LVSXXEHSRJFVLT-UONOGXRCSA-N 0 3 300.406 2.355 20 30 DEEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@@H](CO)C(C)C)cc1 ZINC000355149547 404246876 /nfs/dbraw/zinc/24/68/76/404246876.db2.gz XOZSXHPHNPTPDS-CJNGLKHVSA-N 0 3 304.390 2.200 20 30 DEEDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1F ZINC000341907635 404248727 /nfs/dbraw/zinc/24/87/27/404248727.db2.gz YHVJNZRUEAGVEE-DGCLKSJQSA-N 0 3 310.394 2.173 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329181922 404257443 /nfs/dbraw/zinc/25/74/43/404257443.db2.gz NPIPSSGPPBQYDL-BZUAXINKSA-N 0 3 311.385 2.336 20 30 DEEDHN Cc1noc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000329205372 404263369 /nfs/dbraw/zinc/26/33/69/404263369.db2.gz DJHAWZTYKCWRDQ-QKCSRTOESA-N 0 3 319.409 2.054 20 30 DEEDHN Cc1noc([C@@H]2CCCN2C(=O)NC2CCN(C3CC3)CC2)n1 ZINC000329213448 404266907 /nfs/dbraw/zinc/26/69/07/404266907.db2.gz JLTBXZAQUPMUNY-AWEZNQCLSA-N 0 3 319.409 2.056 20 30 DEEDHN N#CC(C(=O)Nc1nnc(-c2ccccc2)s1)c1ccncn1 ZINC000352314965 404285155 /nfs/dbraw/zinc/28/51/55/404285155.db2.gz SXNIWVMXOHRRNG-LLVKDONJSA-N 0 3 322.353 2.241 20 30 DEEDHN Cc1nnc([C@@H](C)NC(=O)N2CCCC23CCN(C)CC3)s1 ZINC000329445688 404338204 /nfs/dbraw/zinc/33/82/04/404338204.db2.gz CKNXXPLLLJNSEY-LLVKDONJSA-N 0 3 323.466 2.382 20 30 DEEDHN CCN1CCC(NC(=O)N2CCCC[C@H]2c2nc(C)no2)CC1 ZINC000329498049 404356462 /nfs/dbraw/zinc/35/64/62/404356462.db2.gz XRXIWWINUIVXGW-AWEZNQCLSA-N 0 3 321.425 2.303 20 30 DEEDHN CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CCN1C ZINC000337898741 404300956 /nfs/dbraw/zinc/30/09/56/404300956.db2.gz GUNKJGATTIRAQJ-INIZCTEOSA-N 0 3 324.432 2.130 20 30 DEEDHN CC[C@H](C)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000296750844 404317232 /nfs/dbraw/zinc/31/72/32/404317232.db2.gz BDKNWEAJDVSRFP-YJBOKZPZSA-N 0 3 324.428 2.183 20 30 DEEDHN COCCN1CCC(NC(=O)c2cccnc2C2CC2)CC1 ZINC000329587089 404385805 /nfs/dbraw/zinc/38/58/05/404385805.db2.gz XDEVDCKIWYNLHH-UHFFFAOYSA-N 0 3 303.406 2.374 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2ccncc12 ZINC000356261250 404412280 /nfs/dbraw/zinc/41/22/80/404412280.db2.gz JBIIJINBZCJSAV-LLVKDONJSA-N 0 3 316.324 2.106 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000344923476 404448718 /nfs/dbraw/zinc/44/87/18/404448718.db2.gz UOBPGLANDQBEDF-OAHLLOKOSA-N 0 3 307.482 2.216 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000329831625 404465153 /nfs/dbraw/zinc/46/51/53/404465153.db2.gz KOXFXWYFAPZQLT-BZNIZROVSA-N 0 3 315.417 2.453 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000342245435 404465427 /nfs/dbraw/zinc/46/54/27/404465427.db2.gz IYWJKQQUFKYGEV-UHFFFAOYSA-N 0 3 302.422 2.082 20 30 DEEDHN C=CCOCc1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000356553903 404588180 /nfs/dbraw/zinc/58/81/80/404588180.db2.gz UPASKXUHEJZCPS-UHFFFAOYSA-N 0 3 303.362 2.380 20 30 DEEDHN CCOC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000330232887 404596312 /nfs/dbraw/zinc/59/63/12/404596312.db2.gz XPAWPHCEWCIZEH-GFCCVEGCSA-N 0 3 306.410 2.072 20 30 DEEDHN CCOC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000330232887 404596321 /nfs/dbraw/zinc/59/63/21/404596321.db2.gz XPAWPHCEWCIZEH-GFCCVEGCSA-N 0 3 306.410 2.072 20 30 DEEDHN C=C(C)[C@@H](CC(=O)Nc1ccnc(OCCN(C)C)c1)OCC ZINC000345288057 404659314 /nfs/dbraw/zinc/65/93/14/404659314.db2.gz QWLCUQMMOUIOAV-OAHLLOKOSA-N 0 3 321.421 2.332 20 30 DEEDHN C[C@@H](CO)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000351490187 404602902 /nfs/dbraw/zinc/60/29/02/404602902.db2.gz DZNMCSJKIQGHQQ-HNNXBMFYSA-N 0 3 321.465 2.297 20 30 DEEDHN CC(C#N)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000357793848 404743892 /nfs/dbraw/zinc/74/38/92/404743892.db2.gz MZDRHGLWAFOTGA-NSHDSACASA-N 0 3 307.344 2.205 20 30 DEEDHN CC(C)(CCC#N)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000377441408 404838146 /nfs/dbraw/zinc/83/81/46/404838146.db2.gz GZBAKXMBAXHVJO-UHFFFAOYSA-N 0 3 321.465 2.468 20 30 DEEDHN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C#N)cc1C ZINC000360141191 404819494 /nfs/dbraw/zinc/81/94/94/404819494.db2.gz KKXSHGKRPIVHFJ-JSGCOSHPSA-N 0 3 317.414 2.303 20 30 DEEDHN C=CCC[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1ccccc1 ZINC000358724186 404773169 /nfs/dbraw/zinc/77/31/69/404773169.db2.gz QJRYDYSRMWHRNQ-SJLPKXTDSA-N 0 3 317.433 2.060 20 30 DEEDHN COc1cc(CN2CCC3(CCN(C)C3=O)CC2)ccc1C#N ZINC000367021951 404901053 /nfs/dbraw/zinc/90/10/53/404901053.db2.gz GMTCERHICZHXLJ-UHFFFAOYSA-N 0 3 313.401 2.011 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451357522 404966237 /nfs/dbraw/zinc/96/62/37/404966237.db2.gz ATEDGIXOHRRCEA-DTYCBIMDSA-N 0 3 301.434 2.185 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CC[C@@H](CO)O2)c(C(F)(F)F)c1 ZINC000353690018 404922028 /nfs/dbraw/zinc/92/20/28/404922028.db2.gz QXIAGLMEAFZGPA-STQMWFEESA-N 0 3 314.307 2.207 20 30 DEEDHN CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424088901 405001638 /nfs/dbraw/zinc/00/16/38/405001638.db2.gz JZVRSTINNFUNJE-CYBMUJFWSA-N 0 3 302.378 2.303 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000424087514 405001676 /nfs/dbraw/zinc/00/16/76/405001676.db2.gz IBDXZYJGZWGMLM-GFCCVEGCSA-N 0 3 301.375 2.165 20 30 DEEDHN CC(C)COc1cccc(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424106967 405009017 /nfs/dbraw/zinc/00/90/17/405009017.db2.gz SYDHNVBVCWUCRD-MRXNPFEDSA-N 0 3 303.406 2.359 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000424116786 405011304 /nfs/dbraw/zinc/01/13/04/405011304.db2.gz YCLXYUAOXTYUNX-KBPBESRZSA-N 0 3 314.414 2.370 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451704660 405017838 /nfs/dbraw/zinc/01/78/38/405017838.db2.gz KVCRFZBZJLPIER-YLFCFFPRSA-N 0 3 308.466 2.282 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000424138411 405020272 /nfs/dbraw/zinc/02/02/72/405020272.db2.gz MPIQRKANGLSNKA-OAHLLOKOSA-N 0 3 318.377 2.055 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(C)c1 ZINC000424154321 405024212 /nfs/dbraw/zinc/02/42/12/405024212.db2.gz OFFQSYDTRZSWQA-ZBFHGGJFSA-N 0 3 303.406 2.290 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)C(C)C ZINC000417064460 405024674 /nfs/dbraw/zinc/02/46/74/405024674.db2.gz OQKYXVSSNJTZSA-YESZJQIVSA-N 0 3 322.497 2.077 20 30 DEEDHN Cc1nc([C@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)sc1C ZINC000424161270 405026695 /nfs/dbraw/zinc/02/66/95/405026695.db2.gz VLSSIJDIENDGBZ-KBPBESRZSA-N 0 3 320.462 2.487 20 30 DEEDHN CC(C)Oc1cccc(CN(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424164324 405027086 /nfs/dbraw/zinc/02/70/86/405027086.db2.gz CBXXKWQTMPQMRK-MRXNPFEDSA-N 0 3 303.406 2.453 20 30 DEEDHN C=CCn1cc(CN[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)nn1 ZINC000424173328 405029406 /nfs/dbraw/zinc/02/94/06/405029406.db2.gz PIUBPSMJZRRWRG-NVXWUHKLSA-N 0 3 311.433 2.217 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000424177602 405030901 /nfs/dbraw/zinc/03/09/01/405030901.db2.gz UTDXKBWHTXMLPB-OWCLPIDISA-N 0 3 301.390 2.044 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000424182689 405032832 /nfs/dbraw/zinc/03/28/32/405032832.db2.gz UNSSQQKQWPDTOV-HUUCEWRRSA-N 0 3 321.808 2.341 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000367227836 404974600 /nfs/dbraw/zinc/97/46/00/404974600.db2.gz ZUGODTFGSQQPQZ-INIZCTEOSA-N 0 3 300.402 2.170 20 30 DEEDHN CCOc1cc2c(cc1NC(=O)[C@@H](N)CCCC#N)O[C@H](C)C2 ZINC000424063028 404990523 /nfs/dbraw/zinc/99/05/23/404990523.db2.gz LXRHKXJXJFQIGU-YPMHNXCESA-N 0 3 317.389 2.368 20 30 DEEDHN COc1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424065457 404991741 /nfs/dbraw/zinc/99/17/41/404991741.db2.gz LSYKVDBSDVHLKD-CVEARBPZSA-N 0 3 301.390 2.380 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000424066535 404992779 /nfs/dbraw/zinc/99/27/79/404992779.db2.gz NNQBQQMNOYYHIR-NSHDSACASA-N 0 3 301.375 2.165 20 30 DEEDHN Cc1cc(C)n(-c2ccccc2NC(=O)[C@H](N)CCCC#N)n1 ZINC000424088621 405000889 /nfs/dbraw/zinc/00/08/89/405000889.db2.gz GXUDHVMLADCBFF-CQSZACIVSA-N 0 3 311.389 2.449 20 30 DEEDHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424327598 405068677 /nfs/dbraw/zinc/06/86/77/405068677.db2.gz MZUGJHWXSWCMKT-MELADBBJSA-N 0 3 321.446 2.294 20 30 DEEDHN C=CCCn1cc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)nn1 ZINC000424604517 405127508 /nfs/dbraw/zinc/12/75/08/405127508.db2.gz HFEZWUUCYREBFQ-CQSZACIVSA-N 0 3 319.453 2.095 20 30 DEEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)[C@@H](C)C#N ZINC000416384156 405127625 /nfs/dbraw/zinc/12/76/25/405127625.db2.gz FMFANNZZJGQYLG-HNNXBMFYSA-N 0 3 323.462 2.072 20 30 DEEDHN N#CC(C(=O)NCC(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000416399427 405130695 /nfs/dbraw/zinc/13/06/95/405130695.db2.gz OTXDRULRKLTGPH-ZETCQYMHSA-N 0 3 311.185 2.386 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418358543 405123787 /nfs/dbraw/zinc/12/37/87/405123787.db2.gz RPCHGOFPOJJNFD-IRXDYDNUSA-N 0 3 319.449 2.436 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c(F)cccc2C#N)C1 ZINC000354358276 405173898 /nfs/dbraw/zinc/17/38/98/405173898.db2.gz JPXLSZANXGKFET-YOEHRIQHSA-N 0 3 315.392 2.183 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000425347719 405277774 /nfs/dbraw/zinc/27/77/74/405277774.db2.gz HYVVLGBGSIAMPW-UHFFFAOYSA-N 0 3 301.434 2.409 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)[C@@H]2C1 ZINC000425048583 405236545 /nfs/dbraw/zinc/23/65/45/405236545.db2.gz CFVPQRYZRKRRQB-GOEBONIOSA-N 0 3 315.442 2.203 20 30 DEEDHN CN(CCNC(=O)NCC1(C#N)CCC1)Cc1ccccc1 ZINC000419443528 405250333 /nfs/dbraw/zinc/25/03/33/405250333.db2.gz SCMHHRCIQKQJFD-UHFFFAOYSA-N 0 3 300.406 2.111 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425845306 405323920 /nfs/dbraw/zinc/32/39/20/405323920.db2.gz LYUHTHCWRMBQKE-UONOGXRCSA-N 0 3 304.394 2.045 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000426043000 405336816 /nfs/dbraw/zinc/33/68/16/405336816.db2.gz GHDUNNOTXQAGJD-SJORKVTESA-N 0 3 322.497 2.010 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)COC1CCOCC1 ZINC000425534591 405299173 /nfs/dbraw/zinc/29/91/73/405299173.db2.gz MFVFMCGNSHVCIQ-YOEHRIQHSA-N 0 3 318.417 2.108 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425605784 405306516 /nfs/dbraw/zinc/30/65/16/405306516.db2.gz LZTMCMCGUXACIS-JZXOWHBKSA-N 0 3 314.429 2.487 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000455181579 405384029 /nfs/dbraw/zinc/38/40/29/405384029.db2.gz CGZDJVRVGCANPJ-XHSDSOJGSA-N 0 3 309.454 2.140 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000446600746 405386398 /nfs/dbraw/zinc/38/63/98/405386398.db2.gz SCCNNXOBYGXBIV-ZIAGYGMSSA-N 0 3 308.385 2.432 20 30 DEEDHN C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000420812359 405388783 /nfs/dbraw/zinc/38/87/83/405388783.db2.gz GDZJYWVNAAXBGV-CJNGLKHVSA-N 0 3 300.406 2.355 20 30 DEEDHN C[C@H]1C[C@H](CO)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000420932158 405408817 /nfs/dbraw/zinc/40/88/17/405408817.db2.gz DUCXHSPRDOGALC-HOCLYGCPSA-N 0 3 324.428 2.409 20 30 DEEDHN COC(=O)C[C@@](C)(NCCCSCC#N)c1ccccn1 ZINC000429674838 405443006 /nfs/dbraw/zinc/44/30/06/405443006.db2.gz VODBNMJBEBFYKI-OAHLLOKOSA-N 0 3 307.419 2.096 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NCc1cccs1 ZINC000429721064 405445574 /nfs/dbraw/zinc/44/55/74/405445574.db2.gz JLQCNJYPTBVUSK-CQSZACIVSA-N 0 3 309.479 2.193 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C#N)o2)o1 ZINC000429906771 405454615 /nfs/dbraw/zinc/45/46/15/405454615.db2.gz WSDRGUIHTKTBOL-UHFFFAOYSA-N 0 3 301.346 2.257 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC(F)(F)C2)CC1 ZINC000430563173 405458011 /nfs/dbraw/zinc/45/80/11/405458011.db2.gz IAVPLJSQDMWKQH-GFCCVEGCSA-N 0 3 301.381 2.371 20 30 DEEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000430759404 405504089 /nfs/dbraw/zinc/50/40/89/405504089.db2.gz GHIUOGFYLQJMPF-GFCCVEGCSA-N 0 3 307.419 2.403 20 30 DEEDHN COC(=O)[C@H](C)Oc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430776413 405505242 /nfs/dbraw/zinc/50/52/42/405505242.db2.gz PAVVGXFGWWDJRA-ZDUSSCGKSA-N 0 3 302.374 2.410 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000492883491 405517655 /nfs/dbraw/zinc/51/76/55/405517655.db2.gz RLJLMDQDDFHEDE-XQQFMLRXSA-N 0 3 307.394 2.146 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000556798024 405534433 /nfs/dbraw/zinc/53/44/33/405534433.db2.gz CRTNXKOLZUFVCY-YUSALJHKSA-N 0 3 307.444 2.066 20 30 DEEDHN N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1ccncn1 ZINC000580510791 405627137 /nfs/dbraw/zinc/62/71/37/405627137.db2.gz PYKLZKAXAQNGAP-GJZGRUSLSA-N 0 3 309.325 2.134 20 30 DEEDHN N#CC(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1ccncn1 ZINC000580510791 405627146 /nfs/dbraw/zinc/62/71/46/405627146.db2.gz PYKLZKAXAQNGAP-GJZGRUSLSA-N 0 3 309.325 2.134 20 30 DEEDHN C[C@H]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528479110 405628511 /nfs/dbraw/zinc/62/85/11/405628511.db2.gz VKJMZKNZIPMNAO-GJZGRUSLSA-N 0 3 310.397 2.406 20 30 DEEDHN CC(C)(O)C(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456795957 405572580 /nfs/dbraw/zinc/57/25/80/405572580.db2.gz JFMMQKAXDVXVSP-HNNXBMFYSA-N 0 3 313.401 2.154 20 30 DEEDHN CN(C)CCN(Cc1ccccc1)C(=O)NCC1(CC#N)CC1 ZINC000431193345 405590551 /nfs/dbraw/zinc/59/05/51/405590551.db2.gz OWPXRMJXIJGIRK-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494244591 405668407 /nfs/dbraw/zinc/66/84/07/405668407.db2.gz KDDQOKIFAWNXDS-MJEQTWJJSA-N 0 3 324.371 2.153 20 30 DEEDHN CC(C#N)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457068151 405677202 /nfs/dbraw/zinc/67/72/02/405677202.db2.gz UEFGUJCYZWMJKC-SSDOTTSWSA-N 0 3 307.151 2.101 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000457077448 405683659 /nfs/dbraw/zinc/68/36/59/405683659.db2.gz CPTCJTBTVQDEOF-HOCLYGCPSA-N 0 3 315.417 2.267 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@](CO)(COC)C2)cc1OC ZINC000449703220 405700764 /nfs/dbraw/zinc/70/07/64/405700764.db2.gz TUQXBCYKIUFGRW-GOSISDBHSA-N 0 3 321.417 2.091 20 30 DEEDHN Cc1cc(C#N)ccc1CN[C@@]1(CO)COc2ccccc2C1 ZINC000528645879 405697432 /nfs/dbraw/zinc/69/74/32/405697432.db2.gz ONFFYHUIZXDNRR-IBGZPJMESA-N 0 3 308.381 2.323 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](CCCO)C1 ZINC000457144303 405722822 /nfs/dbraw/zinc/72/28/22/405722822.db2.gz MUJGJRHVFNKNBL-IAGOWNOFSA-N 0 3 300.402 2.380 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)COc1ccccc1C#N ZINC000530233330 405777044 /nfs/dbraw/zinc/77/70/44/405777044.db2.gz DWDMOOLZRIMRIW-ZUEVXXBESA-N 0 3 324.380 2.410 20 30 DEEDHN Cc1ccc(CCNC[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000583688357 405783192 /nfs/dbraw/zinc/78/31/92/405783192.db2.gz FUASXRPAAAKJTM-MRXNPFEDSA-N 0 3 314.385 2.226 20 30 DEEDHN COCc1ccc(NC(=O)CC2CCN(C)CC2)cc1C#N ZINC000529816146 405768721 /nfs/dbraw/zinc/76/87/21/405768721.db2.gz IINCZLXNSBQUTP-UHFFFAOYSA-N 0 3 301.390 2.375 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000560737526 405864821 /nfs/dbraw/zinc/86/48/21/405864821.db2.gz UAELEDFACAYYDX-IXDOHACOSA-N 0 3 313.401 2.211 20 30 DEEDHN CC(C)(CC#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000457497373 405867876 /nfs/dbraw/zinc/86/78/76/405867876.db2.gz UBULQSMIJXAXIL-INIZCTEOSA-N 0 3 314.433 2.500 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nncn1C1CC1 ZINC000433341761 405928207 /nfs/dbraw/zinc/92/82/07/405928207.db2.gz HIFXAFQCNTZVJO-AWEZNQCLSA-N 0 3 309.373 2.002 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000495721547 405932059 /nfs/dbraw/zinc/93/20/59/405932059.db2.gz QTQIYEPXXSDCDH-UONOGXRCSA-N 0 3 311.426 2.246 20 30 DEEDHN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)CCN(C2CCC2)C1 ZINC000561536107 405936466 /nfs/dbraw/zinc/93/64/66/405936466.db2.gz VEMKUHODRXXDAH-OAHLLOKOSA-N 0 3 311.429 2.434 20 30 DEEDHN CC(C)OC(=O)[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433375343 405938340 /nfs/dbraw/zinc/93/83/40/405938340.db2.gz PELOSVLDWWVUBK-GOEBONIOSA-N 0 3 316.401 2.463 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCCO1 ZINC000495924922 405941746 /nfs/dbraw/zinc/94/17/46/405941746.db2.gz BQNPWSVGTXBZJZ-QLFBSQMISA-N 0 3 323.437 2.294 20 30 DEEDHN Cc1ccc(=NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)[nH]n1 ZINC000496085683 405950060 /nfs/dbraw/zinc/95/00/60/405950060.db2.gz XVMGDVREIKNCGL-JTQLQIEISA-N 0 3 319.365 2.109 20 30 DEEDHN CC#CCN(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000457695760 405955849 /nfs/dbraw/zinc/95/58/49/405955849.db2.gz OXPQOBZWDCGTAZ-GOSISDBHSA-N 0 3 313.445 2.488 20 30 DEEDHN C=C(C)CN(CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1 ZINC000459431162 405902166 /nfs/dbraw/zinc/90/21/66/405902166.db2.gz DNZOOMUCSDDDFY-CQSZACIVSA-N 0 3 301.390 2.005 20 30 DEEDHN CO[C@](C)(CNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000516651224 406100031 /nfs/dbraw/zinc/10/00/31/406100031.db2.gz VGUUTUOMEHQZBR-GOSISDBHSA-N 0 3 321.384 2.252 20 30 DEEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C12CCC2 ZINC000459771199 406038909 /nfs/dbraw/zinc/03/89/09/406038909.db2.gz RNGQTRSHNYRYLK-ZIAGYGMSSA-N 0 3 317.389 2.254 20 30 DEEDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000459784664 406046283 /nfs/dbraw/zinc/04/62/83/406046283.db2.gz XSLKPLOCQKFETR-KGLIPLIRSA-N 0 3 307.781 2.307 20 30 DEEDHN CC1(C)[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H]2CCCO[C@H]21 ZINC000514840936 406054649 /nfs/dbraw/zinc/05/46/49/406054649.db2.gz YLKPJDXMBVETTR-FVQBIDKESA-N 0 3 319.449 2.122 20 30 DEEDHN N#CC1(NC(=O)CN2CCC[C@@H]2[C@H]2CCCOC2)CCCCC1 ZINC000564915942 406068799 /nfs/dbraw/zinc/06/87/99/406068799.db2.gz GHVBWYIERGWJSU-JKSUJKDBSA-N 0 3 319.449 2.220 20 30 DEEDHN CN(Cc1ccccn1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471784538 406119220 /nfs/dbraw/zinc/11/92/20/406119220.db2.gz AQHOVLYLZYVXFT-INIZCTEOSA-N 0 3 304.353 2.294 20 30 DEEDHN C=CC[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000632551331 406179522 /nfs/dbraw/zinc/17/95/22/406179522.db2.gz WSOUEVALMLAMHE-HNNXBMFYSA-N 0 3 300.468 2.090 20 30 DEEDHN Cc1noc([C@@H](C)N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000569137849 406225069 /nfs/dbraw/zinc/22/50/69/406225069.db2.gz OXFWZBHBEJAQAT-ABAIWWIYSA-N 0 3 323.356 2.152 20 30 DEEDHN COC(=O)c1ccc(N[C@H](C)CN2CCC[C@@H](C)C2)c(C#N)n1 ZINC000519659836 406230257 /nfs/dbraw/zinc/23/02/57/406230257.db2.gz YIOSMKWCLARMMZ-CHWSQXEVSA-N 0 3 316.405 2.272 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488748311 406344747 /nfs/dbraw/zinc/34/47/47/406344747.db2.gz GTTOOUAWNLATBI-OUCADQQQSA-N 0 3 315.377 2.028 20 30 DEEDHN COc1ccc(CN2CC[C@H](N[C@H]3CC[C@H](C#N)C3)C2=O)cc1 ZINC000570355402 406382403 /nfs/dbraw/zinc/38/24/03/406382403.db2.gz SIJFRMWCYSEJSS-ZOBUZTSGSA-N 0 3 313.401 2.078 20 30 DEEDHN COCCN(CCOc1ccccc1C#N)[C@@H]1CCO[C@H]1C ZINC000489406170 406403643 /nfs/dbraw/zinc/40/36/43/406403643.db2.gz OCSSDLPOVLZIDR-GOEBONIOSA-N 0 3 304.390 2.063 20 30 DEEDHN C=C[C@H]1CCCCN1CCC(=O)NCC(=O)c1ccccc1 ZINC000489421794 406404335 /nfs/dbraw/zinc/40/43/35/406404335.db2.gz DXELMUYXUJGLJZ-INIZCTEOSA-N 0 3 300.402 2.416 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(C(=O)OC)cc1 ZINC000489506024 406414731 /nfs/dbraw/zinc/41/47/31/406414731.db2.gz FXTAFTMCFBLVRO-HZPDHXFCSA-N 0 3 319.401 2.253 20 30 DEEDHN C#CCN([C@@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000490651122 406478589 /nfs/dbraw/zinc/47/85/89/406478589.db2.gz QAQVLNHGEIPCQX-CYBMUJFWSA-N 0 3 302.340 2.418 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-n2cncn2)c(F)c1 ZINC000570786794 406438840 /nfs/dbraw/zinc/43/88/40/406438840.db2.gz HYRKLWDNRJTJBH-ZBFHGGJFSA-N 0 3 302.353 2.230 20 30 DEEDHN C[C@@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000570934699 406458554 /nfs/dbraw/zinc/45/85/54/406458554.db2.gz OUKGUARSMSHKLL-YPMHNXCESA-N 0 3 301.365 2.359 20 30 DEEDHN C=CCOCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640567913 406547569 /nfs/dbraw/zinc/54/75/69/406547569.db2.gz UCAYUDAJRIKTNJ-UONOGXRCSA-N 0 3 303.324 2.313 20 30 DEEDHN C#C[C@H](CC)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000491240498 406551680 /nfs/dbraw/zinc/55/16/80/406551680.db2.gz ADKNAIQZMCXQKX-QGZVFWFLSA-N 0 3 313.445 2.359 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000491252416 406554068 /nfs/dbraw/zinc/55/40/68/406554068.db2.gz HXEHQFOHPUDYLD-RYUDHWBXSA-N 0 3 301.308 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2cccc(C)c2)c1C ZINC000491266769 406557713 /nfs/dbraw/zinc/55/77/13/406557713.db2.gz QJOGPUMZHVPYNX-UHFFFAOYSA-N 0 3 324.428 2.174 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000491296416 406563184 /nfs/dbraw/zinc/56/31/84/406563184.db2.gz LTWIFEFZBXQGCQ-LBPRGKRZSA-N 0 3 319.371 2.314 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)cc1 ZINC000491297763 406563482 /nfs/dbraw/zinc/56/34/82/406563482.db2.gz RZDWVLRKXDPLMU-PVUWLOKVSA-N 0 3 315.392 2.424 20 30 DEEDHN C#CCN(C)CCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000491297753 406563649 /nfs/dbraw/zinc/56/36/49/406563649.db2.gz RYRFSJHUTUJPNI-UHFFFAOYSA-N 0 3 316.283 2.376 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000490922448 406507352 /nfs/dbraw/zinc/50/73/52/406507352.db2.gz DLVRFNXKOIMYGE-IAGOWNOFSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC000635531691 406577179 /nfs/dbraw/zinc/57/71/79/406577179.db2.gz VOBOAUDDUOWBLS-MRXNPFEDSA-N 0 3 304.438 2.237 20 30 DEEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C(C)C ZINC000491670117 406659544 /nfs/dbraw/zinc/65/95/44/406659544.db2.gz LQQLRLDFAXIPAG-HNNXBMFYSA-N 0 3 307.463 2.479 20 30 DEEDHN C#CCNC(=O)[C@@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000491716007 406685025 /nfs/dbraw/zinc/68/50/25/406685025.db2.gz LRMIJTZOHXEVAK-LLVKDONJSA-N 0 3 310.800 2.484 20 30 DEEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1cccnc1 ZINC000572523749 406686623 /nfs/dbraw/zinc/68/66/23/406686623.db2.gz LQWQBFRCQNNSSH-UHFFFAOYSA-N 0 3 306.373 2.063 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC)cc1OC(C)C ZINC000491726324 406689493 /nfs/dbraw/zinc/68/94/93/406689493.db2.gz DAYAROJWWZQRSY-UHFFFAOYSA-N 0 3 318.417 2.167 20 30 DEEDHN C#CCN(C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000491745832 406698850 /nfs/dbraw/zinc/69/88/50/406698850.db2.gz NXSKPXZSHCPXAX-UHFFFAOYSA-N 0 3 317.355 2.066 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccc(F)cc1 ZINC000491642137 406647688 /nfs/dbraw/zinc/64/76/88/406647688.db2.gz VTKBJLQTNBXGNT-LRDDRELGSA-N 0 3 303.381 2.282 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)CSc1ccccc1 ZINC000491788655 406720955 /nfs/dbraw/zinc/72/09/55/406720955.db2.gz YAVANMCAFDTWCN-HNNXBMFYSA-N 0 3 304.459 2.486 20 30 DEEDHN C/C=C/c1ccc(OC[C@H](O)CNCCCC#N)c(OC)c1 ZINC000573200510 406770793 /nfs/dbraw/zinc/77/07/93/406770793.db2.gz WERAMANSVGTHQK-YFCVBGDOSA-N 0 3 304.390 2.361 20 30 DEEDHN C/C=C\c1ccc(OC[C@H](O)CNCCCC#N)c(OC)c1 ZINC000573200508 406771050 /nfs/dbraw/zinc/77/10/50/406771050.db2.gz WERAMANSVGTHQK-OMVNSRBRSA-N 0 3 304.390 2.361 20 30 DEEDHN C[C@H]1COC(C)(C)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000573893971 406777626 /nfs/dbraw/zinc/77/76/26/406777626.db2.gz YTVCOYBFRRPRSC-XJKSGUPXSA-N 0 3 311.385 2.266 20 30 DEEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)cn1)c1ccco1 ZINC000554634066 406820015 /nfs/dbraw/zinc/82/00/15/406820015.db2.gz LEKAETSKNKFYMC-DOMZBBRYSA-N 0 3 312.373 2.405 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000576935873 406834078 /nfs/dbraw/zinc/83/40/78/406834078.db2.gz GDMTUPPNHIGVGS-MSOLQXFVSA-N 0 3 319.424 2.463 20 30 DEEDHN C=CCC[C@@H](CO)NCc1c(C)nn(-c2ccccn2)c1C ZINC000641760364 406886517 /nfs/dbraw/zinc/88/65/17/406886517.db2.gz QNKNRBFQUVXHNZ-HNNXBMFYSA-N 0 3 300.406 2.301 20 30 DEEDHN C=CCCC[C@H](C)NCc1ccc(S(N)(=O)=O)cc1F ZINC000647199785 406970825 /nfs/dbraw/zinc/97/08/25/406970825.db2.gz REFSYPPAAFOQLA-NSHDSACASA-N 0 3 300.399 2.308 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1OC ZINC000644822526 407200371 /nfs/dbraw/zinc/20/03/71/407200371.db2.gz UPKDLPJAECLGNB-CABCVRRESA-N 0 3 316.401 2.036 20 30 DEEDHN N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000131422284 196167282 /nfs/dbraw/zinc/16/72/82/196167282.db2.gz DEYZPWBLAZHJJG-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(C[C@H](O)CCC=C)C(C)(C)C1 ZINC000131676196 196189985 /nfs/dbraw/zinc/18/99/85/196189985.db2.gz HMHKKNKCHXNQEU-IAGOWNOFSA-N 0 3 310.482 2.037 20 30 DEEDHN C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)[C@@H]2CCCC[C@@H]21 ZINC000248438040 225238381 /nfs/dbraw/zinc/23/83/81/225238381.db2.gz SUKQKWNNOBTQCV-BZUAXINKSA-N 0 3 302.422 2.153 20 30 DEEDHN CN(C)C1(CNC(=O)NCCCCC#N)Cc2ccccc2C1 ZINC000266446951 225338678 /nfs/dbraw/zinc/33/86/78/225338678.db2.gz AIYARGDDTFCKIE-UHFFFAOYSA-N 0 3 314.433 2.079 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)COC3)CCN1C ZINC000330296077 225993276 /nfs/dbraw/zinc/99/32/76/225993276.db2.gz JWFATAXFLDNNSO-WBMJQRKESA-N 0 3 303.406 2.203 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000330991866 226050345 /nfs/dbraw/zinc/05/03/45/226050345.db2.gz UFUSMEHOEMCGPI-MRXNPFEDSA-N 0 3 300.406 2.041 20 30 DEEDHN C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)c1cnn(C)c1 ZINC000331299975 226078199 /nfs/dbraw/zinc/07/81/99/226078199.db2.gz BONYZIYWRZDTRH-GXTWGEPZSA-N 0 3 307.442 2.105 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCC#Cc2cccc(F)c2)CN1C1CC1 ZINC000338039429 226152459 /nfs/dbraw/zinc/15/24/59/226152459.db2.gz BTYIIHSWTIKXMJ-BBRMVZONSA-N 0 3 315.392 2.102 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCO3)CC2)cc1 ZINC000374469754 227135697 /nfs/dbraw/zinc/13/56/97/227135697.db2.gz YIZSRDMEJGZPQG-INIZCTEOSA-N 0 3 309.369 2.022 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C1CC1 ZINC001099043522 782035229 /nfs/dbraw/zinc/03/52/29/782035229.db2.gz PBXSLHYIGHUDAP-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCOc2ccc(F)cc2)C[C@@H]1C ZINC001328267007 1148759087 /nfs/dbraw/zinc/75/90/87/1148759087.db2.gz MKNKFEYFKUKNIH-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000427922203 533685869 /nfs/dbraw/zinc/68/58/69/533685869.db2.gz IMMUAHYLOJIVFG-LLVKDONJSA-N 0 3 306.797 2.068 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(C)no1)C(C)C ZINC000194663533 424877492 /nfs/dbraw/zinc/87/74/92/424877492.db2.gz RMIPWENZLLSXQD-MRXNPFEDSA-N 0 3 320.437 2.481 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)C(C)C ZINC000590571539 424997936 /nfs/dbraw/zinc/99/79/36/424997936.db2.gz QVBIMFDUCZAZMK-CQSZACIVSA-N 0 3 319.409 2.683 20 30 DEEDHN COc1ccc([C@H](CNc2cc(C#N)cnn2)N2CCCC2)cc1 ZINC000596054032 425016792 /nfs/dbraw/zinc/01/67/92/425016792.db2.gz KENUSTCMAAZADU-KRWDZBQOSA-N 0 3 323.400 2.606 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000660824881 425247123 /nfs/dbraw/zinc/24/71/23/425247123.db2.gz QHNBYRXJFXZKRX-LZWOXQAQSA-N 0 3 309.479 2.316 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000660836658 425251575 /nfs/dbraw/zinc/25/15/75/425251575.db2.gz DUEKBYWABUWOOY-HNNXBMFYSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C)O)C(C)C ZINC000663668505 425210291 /nfs/dbraw/zinc/21/02/91/425210291.db2.gz PSJCGTJPNXHVCL-GVDBMIGSSA-N 0 3 323.481 2.240 20 30 DEEDHN C=CCC1(NC(=O)NC[C@@H]2CCCN2CCOC)CCCC1 ZINC000664065655 425300617 /nfs/dbraw/zinc/30/06/17/425300617.db2.gz LSDGKHFFUPUPJV-HNNXBMFYSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCCn1cc(CNC[C@H](c2ccc(F)cc2)N(C)C)nn1 ZINC000657316387 425302082 /nfs/dbraw/zinc/30/20/82/425302082.db2.gz FDWOCOSHDFZZPB-QGZVFWFLSA-N 0 3 317.412 2.386 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654554186 425379654 /nfs/dbraw/zinc/37/96/54/425379654.db2.gz VUGQLRUDAINSDR-TWMKSMIVSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)N1CC(C)C1)C(C)C ZINC000654781610 425441674 /nfs/dbraw/zinc/44/16/74/425441674.db2.gz KIGHVHARQPKJNS-SJORKVTESA-N 0 3 307.482 2.141 20 30 DEEDHN C=CCCCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000664785115 425454660 /nfs/dbraw/zinc/45/46/60/425454660.db2.gz OQUICWZCEBYEAE-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659094613 425527653 /nfs/dbraw/zinc/52/76/53/425527653.db2.gz NVPXFEWWQXWEFP-ZDUSSCGKSA-N 0 3 313.401 2.043 20 30 DEEDHN C=C(CC)CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665063293 425498914 /nfs/dbraw/zinc/49/89/14/425498914.db2.gz MGSCIEJEPQNVGC-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000665386261 425560323 /nfs/dbraw/zinc/56/03/23/425560323.db2.gz SOTNVEOPYIXYKK-IKGGRYGDSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659373696 425588445 /nfs/dbraw/zinc/58/84/45/425588445.db2.gz UZJLPIUVWGJWIG-BBRMVZONSA-N 0 3 304.390 2.267 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN(C)[C@H](CN)C(F)(F)F)c1C ZINC000662331469 425626616 /nfs/dbraw/zinc/62/66/16/425626616.db2.gz HYRAOVZQDYXUIP-CQSZACIVSA-N 0 3 317.355 2.295 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662631690 425697835 /nfs/dbraw/zinc/69/78/35/425697835.db2.gz XTBDEZFOFLIDQY-LDDOYCOJSA-N 0 3 306.450 2.334 20 30 DEEDHN Cn1cc(CNCC23CC(C2)CO3)c(-c2ccc(C#N)cc2)n1 ZINC000527787437 268128204 /nfs/dbraw/zinc/12/82/04/268128204.db2.gz BIKCOLLFJSXRSM-UHFFFAOYSA-N 0 3 308.385 2.227 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000528535590 268297409 /nfs/dbraw/zinc/29/74/09/268297409.db2.gz KIDOVYUDWSPLFM-ROUUACIJSA-N 0 3 323.396 2.182 20 30 DEEDHN CCC1(CO)CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000270719397 268686792 /nfs/dbraw/zinc/68/67/92/268686792.db2.gz DAPGRTGVISVVIA-UHFFFAOYSA-N 0 3 318.417 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(C)noc2Cl)[C@H]1C ZINC001088918645 782045121 /nfs/dbraw/zinc/04/51/21/782045121.db2.gz KYZXCTOBRNWVQW-YPMHNXCESA-N 0 3 311.813 2.334 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000376347790 275417657 /nfs/dbraw/zinc/41/76/57/275417657.db2.gz BOCBTAPWNSDZDE-SJLPKXTDSA-N 0 3 321.465 2.284 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2c(cc1OC)OCO2 ZINC000435744206 275419960 /nfs/dbraw/zinc/41/99/60/275419960.db2.gz WFPLJRSBBRZZFK-SJKOYZFVSA-N 0 3 305.374 2.495 20 30 DEEDHN CCN(CCNC(=O)Nc1cc(C#N)ccc1OC)C1CC1 ZINC000264708119 276128670 /nfs/dbraw/zinc/12/86/70/276128670.db2.gz INHAZQFJRXIDES-UHFFFAOYSA-N 0 3 302.378 2.173 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000491703641 276785296 /nfs/dbraw/zinc/78/52/96/276785296.db2.gz JUIAQYAKNMTJTN-MLGOLLRUSA-N 0 3 308.809 2.145 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCOC1)C(C)C ZINC000266710513 276891751 /nfs/dbraw/zinc/89/17/51/276891751.db2.gz YSCIXNADEORLFR-IXDOHACOSA-N 0 3 323.481 2.409 20 30 DEEDHN CO[C@@](C)([C@H](C)NCC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000411946738 277699334 /nfs/dbraw/zinc/69/93/34/277699334.db2.gz LLZWYKDKALUXKJ-BBRMVZONSA-N 0 3 307.438 2.122 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)CO)C(C)C ZINC000265888059 277851422 /nfs/dbraw/zinc/85/14/22/277851422.db2.gz UEAHUIRDEHCPGC-HRCADAONSA-N 0 3 311.470 2.001 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c(C)cnn1C)C(C)C ZINC000411371158 277852395 /nfs/dbraw/zinc/85/23/95/277852395.db2.gz WUIAPTRNIKTXNB-OAHLLOKOSA-N 0 3 304.438 2.157 20 30 DEEDHN C[C@@H]1CNC(NN=C2CCCCC[C@H]2NC(=O)OC(C)(C)C)=N1 ZINC000495236757 277931665 /nfs/dbraw/zinc/93/16/65/277931665.db2.gz IMLVABYOTKBKST-VXGBXAGGSA-N 0 3 323.441 2.137 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000329597178 278255879 /nfs/dbraw/zinc/25/58/79/278255879.db2.gz CKYYWYKNMFNGOF-OWCLPIDISA-N 0 3 319.453 2.164 20 30 DEEDHN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329820164 279189524 /nfs/dbraw/zinc/18/95/24/279189524.db2.gz YGLJXSUUERYJKG-HNNXBMFYSA-N 0 3 319.453 2.011 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N(C)CCN2CCCC2)c(C#N)c1C ZINC000089898603 279273744 /nfs/dbraw/zinc/27/37/44/279273744.db2.gz YDEPFDMHNBRMCP-ZDUSSCGKSA-N 0 3 318.421 2.123 20 30 DEEDHN CC(C)c1cc(C(=O)N[C@@H](CO)CN2CCCCC2)cc(=O)[nH]1 ZINC000330619417 280566161 /nfs/dbraw/zinc/56/61/61/280566161.db2.gz ZDOYUFXWGVWLES-CQSZACIVSA-N 0 3 321.421 2.062 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cn(CCCC)nc2C)[C@H]1C ZINC001088968968 782086509 /nfs/dbraw/zinc/08/65/09/782086509.db2.gz AATFFZMVGSRVFH-WBVHZDCISA-N 0 3 316.449 2.208 20 30 DEEDHN N#Cc1cnn2cc(CNCCc3cc(F)cc(F)c3)cnc12 ZINC000575767145 326244636 /nfs/dbraw/zinc/24/46/36/326244636.db2.gz PHFPDAZOPVKNMS-UHFFFAOYSA-N 0 3 313.311 2.211 20 30 DEEDHN C=CCN(C(=O)[C@H]1CCN(C)C1)c1nc2c(s1)CCCC2 ZINC000531017140 332211499 /nfs/dbraw/zinc/21/14/99/332211499.db2.gz XBBQJRNNTVUMDN-LBPRGKRZSA-N 0 3 305.447 2.493 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc2n[nH]cc2c1 ZINC000560446435 332340617 /nfs/dbraw/zinc/34/06/17/332340617.db2.gz RDONRTCOJHPXFX-NEPJUHHUSA-N 0 3 311.389 2.164 20 30 DEEDHN CN1CCN(C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000561482076 332455110 /nfs/dbraw/zinc/45/51/10/332455110.db2.gz PDKKVYUEVROYCC-UHOSZYNNSA-N 0 3 312.461 2.257 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H](O)CC1)C(C)C ZINC000245526173 332492988 /nfs/dbraw/zinc/49/29/88/332492988.db2.gz FJGUXDYZPIJROV-BRWVUGGUSA-N 0 3 323.481 2.288 20 30 DEEDHN CCOC(=O)C1CCC(O)(CNCC#Cc2ccccc2)CC1 ZINC000562987638 333013543 /nfs/dbraw/zinc/01/35/43/333013543.db2.gz ZCCJRYXKCCURSC-UHFFFAOYSA-N 0 3 315.413 2.112 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC2CCN(CC)CC2)cc1 ZINC000294395910 335121711 /nfs/dbraw/zinc/12/17/11/335121711.db2.gz LVQMZPIHSTZLLI-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497155035 333129448 /nfs/dbraw/zinc/12/94/48/333129448.db2.gz QZIBTGLCOWYBJI-FPMFFAJLSA-N 0 3 321.421 2.298 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN(CC#Cc3ccccc3)C2)CC1 ZINC000365234226 333399487 /nfs/dbraw/zinc/39/94/87/333399487.db2.gz MWIBUNCLNLZYSG-FQEVSTJZSA-N 0 3 311.473 2.138 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1CCC(C(F)(F)F)CC1 ZINC000328182187 334112747 /nfs/dbraw/zinc/11/27/47/334112747.db2.gz NOYVJINUVWCFJU-UHFFFAOYSA-N 0 3 304.356 2.426 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CCOCC1 ZINC000120382296 334317760 /nfs/dbraw/zinc/31/77/60/334317760.db2.gz HIFDCOQAZOXQIK-HNNXBMFYSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCCC[C@@H]1C ZINC000344090321 335217021 /nfs/dbraw/zinc/21/70/21/335217021.db2.gz BSAIBVXHEJKMGF-UONOGXRCSA-N 0 3 310.417 2.287 20 30 DEEDHN CCN1CCN(c2ccccc2CN(C)C[C@H](C)C#N)CC1 ZINC000352095731 336194504 /nfs/dbraw/zinc/19/45/04/336194504.db2.gz AAURGJXOHKAXHU-MRXNPFEDSA-N 0 3 300.450 2.420 20 30 DEEDHN CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(C#N)CC1 ZINC000583683614 336697878 /nfs/dbraw/zinc/69/78/78/336697878.db2.gz ZFYGOIZPZDQPIY-INIZCTEOSA-N 0 3 300.406 2.194 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)NCC2(CC#N)CC2)cc1 ZINC000362347738 336793380 /nfs/dbraw/zinc/79/33/80/336793380.db2.gz ZFPCPTAEJKADSO-UHFFFAOYSA-N 0 3 300.406 2.241 20 30 DEEDHN Cc1csc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000393261976 337091804 /nfs/dbraw/zinc/09/18/04/337091804.db2.gz KORPQUNIOVQSGP-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN N#Cc1cnn2cc(CN3CCSC4(CCC4)CC3)cnc12 ZINC000582486070 337097536 /nfs/dbraw/zinc/09/75/36/337097536.db2.gz DEUUXKQBVGOJTR-UHFFFAOYSA-N 0 3 313.430 2.463 20 30 DEEDHN COC(=O)c1ccc(NCCN2CCCCCC2)c(C#N)n1 ZINC000582691234 337123111 /nfs/dbraw/zinc/12/31/11/337123111.db2.gz UCGLCHIJFSVITN-UHFFFAOYSA-N 0 3 302.378 2.028 20 30 DEEDHN CN1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000582879687 337214353 /nfs/dbraw/zinc/21/43/53/337214353.db2.gz MNRXYKUQDHIHKI-CQSZACIVSA-N 0 3 324.384 2.285 20 30 DEEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ncncc1C#N ZINC000583318688 337314953 /nfs/dbraw/zinc/31/49/53/337314953.db2.gz CHCZJYFYLKSSAX-UHFFFAOYSA-N 0 3 322.416 2.486 20 30 DEEDHN C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000584566200 337362288 /nfs/dbraw/zinc/36/22/88/337362288.db2.gz GUDNCZITKXCNOI-RVKKMQEKSA-N 0 3 314.433 2.027 20 30 DEEDHN C#CCCCN1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000271000443 337643221 /nfs/dbraw/zinc/64/32/21/337643221.db2.gz GAJIXVSCXRDSKH-UHFFFAOYSA-N 0 3 302.418 2.235 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000424168573 337790833 /nfs/dbraw/zinc/79/08/33/337790833.db2.gz GDALFMCFQPAGLU-CVEARBPZSA-N 0 3 300.406 2.111 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CNCCc1cscn1 ZINC000572475725 337989114 /nfs/dbraw/zinc/98/91/14/337989114.db2.gz QXLKBXBHKUHITC-MRXNPFEDSA-N 0 3 318.442 2.444 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000542826622 341022341 /nfs/dbraw/zinc/02/23/41/341022341.db2.gz NXMZFNHWXDYUNB-CYBMUJFWSA-N 0 3 301.390 2.027 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(CC#N)CC1)N1CCC[C@H](C)C1 ZINC000542848172 341023428 /nfs/dbraw/zinc/02/34/28/341023428.db2.gz ZTNZILPEKDVXOM-GJZGRUSLSA-N 0 3 306.454 2.442 20 30 DEEDHN C=CCNc1ncc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)s1 ZINC000245921868 341318301 /nfs/dbraw/zinc/31/83/01/341318301.db2.gz HCAUJNLPEUDFEA-VXGBXAGGSA-N 0 3 308.451 2.153 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3oc2=O)[C@H]1C ZINC001089019198 782117352 /nfs/dbraw/zinc/11/73/52/782117352.db2.gz YXFXDROEYMHWJT-DOMZBBRYSA-N 0 3 312.369 2.172 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2csc3nccn23)[C@H]1C ZINC001089042544 782133059 /nfs/dbraw/zinc/13/30/59/782133059.db2.gz FQKHTTDIOBAZLH-OCCSQVGLSA-N 0 3 318.446 2.093 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001329924957 1149017866 /nfs/dbraw/zinc/01/78/66/1149017866.db2.gz YMKDDXNDOUVRFG-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C)c2C2CC2)[C@H]1C ZINC001089075129 782150838 /nfs/dbraw/zinc/15/08/38/782150838.db2.gz ORWSPTPDOZGYCW-DOMZBBRYSA-N 0 3 302.422 2.066 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2ccc(Cl)s2)C1 ZINC001330053934 1149041935 /nfs/dbraw/zinc/04/19/35/1149041935.db2.gz MGKXFKUURYJPAJ-NSHDSACASA-N 0 3 310.850 2.404 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000358931746 500571946 /nfs/dbraw/zinc/57/19/46/500571946.db2.gz DKZIGZDGTKZKIB-CABCVRRESA-N 0 3 321.469 2.310 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)C(C)C ZINC000417064458 500577480 /nfs/dbraw/zinc/57/74/80/500577480.db2.gz OQKYXVSSNJTZSA-IXDOHACOSA-N 0 3 322.497 2.077 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C#N)c[nH]2)CCCC1 ZINC001378686796 1152415878 /nfs/dbraw/zinc/41/58/78/1152415878.db2.gz OUYCTWPCMUFUIF-UHFFFAOYSA-N 0 3 306.797 2.271 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cncc(C)c2)C(C)(C)C1 ZINC001330186201 1149064981 /nfs/dbraw/zinc/06/49/81/1149064981.db2.gz XAGJXDSYHYTBGT-INIZCTEOSA-N 0 3 317.433 2.033 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(COC)CCCC2)C(C)(C)C1 ZINC001330202316 1149067644 /nfs/dbraw/zinc/06/76/44/1149067644.db2.gz IANLRKWHHAIPIV-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@H]1CCCCO1 ZINC001378757223 1152437126 /nfs/dbraw/zinc/43/71/26/1152437126.db2.gz PJYLEKKKWMFFQA-SWLSCSKDSA-N 0 3 321.446 2.125 20 30 DEEDHN COc1cc(CNCC(C)(C)C2(O)CCOCC2)ccc1C#N ZINC000418125434 533869825 /nfs/dbraw/zinc/86/98/25/533869825.db2.gz JJODTVQVIIQLKM-UHFFFAOYSA-N 0 3 318.417 2.224 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)N(C)C ZINC000294427039 534037054 /nfs/dbraw/zinc/03/70/54/534037054.db2.gz QCWOEBORHUFGGB-VIFPVBQESA-N 0 3 310.195 2.001 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@H](C)NCc2cncc(C)c2)C1 ZINC001330381959 1149103573 /nfs/dbraw/zinc/10/35/73/1149103573.db2.gz GVHPIEQEQWCYGP-DOTOQJQBSA-N 0 3 317.433 2.062 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC001378859177 1152470254 /nfs/dbraw/zinc/47/02/54/1152470254.db2.gz BITLRNIIQJVLGR-RCBQFDQVSA-N 0 3 303.381 2.291 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000268136200 534289127 /nfs/dbraw/zinc/28/91/27/534289127.db2.gz JKJMKYYTGQBQTR-HLLBOEOZSA-N 0 3 314.433 2.450 20 30 DEEDHN C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)CN1 ZINC000417915533 534329838 /nfs/dbraw/zinc/32/98/38/534329838.db2.gz MDVUZMOAWDUTCU-YCPHGPKFSA-N 0 3 300.406 2.423 20 30 DEEDHN CC[C@H](C)[C@H](NC(=O)OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000835034426 649869553 /nfs/dbraw/zinc/86/95/53/649869553.db2.gz ANUSJYJRYXJWLE-LSJOCFKGSA-N 0 3 309.391 2.399 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(C(C)=O)c1 ZINC000451675370 534573826 /nfs/dbraw/zinc/57/38/26/534573826.db2.gz PQGIMXVBBHZSQT-CVEARBPZSA-N 0 3 302.374 2.151 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccccc1)C1CC1 ZINC000451604459 534606980 /nfs/dbraw/zinc/60/69/80/534606980.db2.gz GZXQRCPJZKAMPD-SJORKVTESA-N 0 3 300.402 2.111 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000451599000 534611073 /nfs/dbraw/zinc/61/10/73/534611073.db2.gz MPYDAQCQEYUUTJ-ABFRBSLYSA-N 0 3 302.418 2.228 20 30 DEEDHN N#CCSCCCN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000266768791 534704930 /nfs/dbraw/zinc/70/49/30/534704930.db2.gz VLLSULRVPSUOHH-UHFFFAOYSA-N 0 3 303.431 2.397 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000338155250 525540132 /nfs/dbraw/zinc/54/01/32/525540132.db2.gz UVPCECKZGYXRTL-AWEZNQCLSA-N 0 3 315.417 2.097 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000339557433 526418673 /nfs/dbraw/zinc/41/86/73/526418673.db2.gz XBWBIGWKBJNQJA-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C)OCc2ccc(F)cc2)CC1 ZINC000294625266 526445452 /nfs/dbraw/zinc/44/54/52/526445452.db2.gz NVYLWEKCNRCXCQ-AWEZNQCLSA-N 0 3 320.408 2.497 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c[nH]c(C(F)(F)F)c2)CC1 ZINC000292871302 526446893 /nfs/dbraw/zinc/44/68/93/526446893.db2.gz RZFCCQSRIPTUTA-UHFFFAOYSA-N 0 3 301.312 2.414 20 30 DEEDHN C=CCN1CCC(NC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000191546775 526448886 /nfs/dbraw/zinc/44/88/86/526448886.db2.gz PIXWHOUPTMTMAV-UHFFFAOYSA-N 0 3 302.422 2.059 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429038708 526522370 /nfs/dbraw/zinc/52/23/70/526522370.db2.gz GEHWQTXLBBZFMK-YESZJQIVSA-N 0 3 307.482 2.073 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CN2CCc3ccccc32)CC1 ZINC000357577015 526582547 /nfs/dbraw/zinc/58/25/47/526582547.db2.gz BHGXHGVNCQCDLC-UHFFFAOYSA-N 0 3 313.445 2.206 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000448143036 526585928 /nfs/dbraw/zinc/58/59/28/526585928.db2.gz RKQNUVVZDYIOSU-RDJZCZTQSA-N 0 3 323.481 2.362 20 30 DEEDHN C=C(C)CN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000372844893 526607587 /nfs/dbraw/zinc/60/75/87/526607587.db2.gz ALYNBASQQUBORQ-CXAGYDPISA-N 0 3 311.389 2.456 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000294634131 526739268 /nfs/dbraw/zinc/73/92/68/526739268.db2.gz QBUCKZSKLOHYQM-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCOCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000338905523 526770651 /nfs/dbraw/zinc/77/06/51/526770651.db2.gz QQDPVXNVMMLCGU-OAHLLOKOSA-N 0 3 304.438 2.387 20 30 DEEDHN C=CC(C)(C)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000294717669 526944776 /nfs/dbraw/zinc/94/47/76/526944776.db2.gz WJADPBSQHPJEFA-UHFFFAOYSA-N 0 3 304.434 2.498 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCCN(C(C)C)CC1 ZINC000341537899 526954683 /nfs/dbraw/zinc/95/46/83/526954683.db2.gz SUYMLZWGCSPHAP-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000294780816 526985071 /nfs/dbraw/zinc/98/50/71/526985071.db2.gz ZWCKSNHRGHCXHE-NSHDSACASA-N 0 3 314.307 2.375 20 30 DEEDHN C=CCSCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417344866 526993032 /nfs/dbraw/zinc/99/30/32/526993032.db2.gz QWGXEEDFIQAXIR-HNNXBMFYSA-N 0 3 305.447 2.092 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC(Cc2cccc(OC)c2)CC1 ZINC000368176818 527017972 /nfs/dbraw/zinc/01/79/72/527017972.db2.gz ZSIYSKVTMRMKEQ-OAHLLOKOSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000374342176 527066461 /nfs/dbraw/zinc/06/64/61/527066461.db2.gz SIOYHGPVCHRTFN-SJLPKXTDSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375643640 527150069 /nfs/dbraw/zinc/15/00/69/527150069.db2.gz WDKKWVDNLLNRST-IRXDYDNUSA-N 0 3 322.497 2.151 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000341450678 527150195 /nfs/dbraw/zinc/15/01/95/527150195.db2.gz FVJJKEWUMWUJDL-IKGGRYGDSA-N 0 3 322.497 2.009 20 30 DEEDHN C=CC[C@H](CC)NC(=O)NCc1ccncc1OCCN(C)C ZINC000341494413 527155967 /nfs/dbraw/zinc/15/59/67/527155967.db2.gz MCLPTUYPZDFUIL-HNNXBMFYSA-N 0 3 320.437 2.176 20 30 DEEDHN C=CC[C@H](CO)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000340781755 527164775 /nfs/dbraw/zinc/16/47/75/527164775.db2.gz QZVUXBJIMIUCDY-LBPRGKRZSA-N 0 3 301.346 2.470 20 30 DEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NCCNc1ccncc1 ZINC000413813707 527216576 /nfs/dbraw/zinc/21/65/76/527216576.db2.gz DQZQMUFMNBWJJS-GOSISDBHSA-N 0 3 324.428 2.402 20 30 DEEDHN CC(=O)c1ccc(C#N)cc1N1CCN(c2ccncc2)CC1 ZINC000302082414 527229059 /nfs/dbraw/zinc/22/90/59/527229059.db2.gz CPGBOEBOVGFBFD-UHFFFAOYSA-N 0 3 306.369 2.482 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](N)[C@H](C)CC)cc(OC)c1OC ZINC000236944394 527241048 /nfs/dbraw/zinc/24/10/48/527241048.db2.gz WQIAYXSKYONACZ-WBMJQRKESA-N 0 3 320.433 2.422 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](N)C2CCC2)cc(OC)c1OC ZINC000423128390 527241213 /nfs/dbraw/zinc/24/12/13/527241213.db2.gz QIGHXQMTRQNZOX-INIZCTEOSA-N 0 3 318.417 2.176 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@]12CCOC2 ZINC000341914125 527263464 /nfs/dbraw/zinc/26/34/64/527263464.db2.gz LFJREDXIYOQLEI-HKUYNNGSSA-N 0 3 317.429 2.410 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000298075034 527280896 /nfs/dbraw/zinc/28/08/96/527280896.db2.gz VERVMKSOJNPZRD-IAGOWNOFSA-N 0 3 317.433 2.255 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000377551399 527432902 /nfs/dbraw/zinc/43/29/02/527432902.db2.gz XHQZVGWMXWOFKL-RBUKOAKNSA-N 0 3 309.413 2.490 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000427720255 527445362 /nfs/dbraw/zinc/44/53/62/527445362.db2.gz MZSUNBBXORVKAU-MRXNPFEDSA-N 0 3 315.417 2.254 20 30 DEEDHN C=CCC[C@@H](NC1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000330601406 527445761 /nfs/dbraw/zinc/44/57/61/527445761.db2.gz DJASDDUSNTVYCX-CQSZACIVSA-N 0 3 312.435 2.301 20 30 DEEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000174843808 527462544 /nfs/dbraw/zinc/46/25/44/527462544.db2.gz YYDLYYKKJHYTRK-OAHLLOKOSA-N 0 3 307.438 2.030 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CC[C@H](O)C1)C(C)C ZINC000190096010 527644642 /nfs/dbraw/zinc/64/46/42/527644642.db2.gz ZETCWYBAZXFSME-ULQDDVLXSA-N 0 3 323.481 2.145 20 30 DEEDHN CC(C)NS(=O)(=O)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000373038214 527752910 /nfs/dbraw/zinc/75/29/10/527752910.db2.gz ZTXNUSAVDCAEDN-CQSZACIVSA-N 0 3 315.483 2.109 20 30 DEEDHN CCCCCCCC(=O)N=c1nc(C2CC[NH2+]CC2)[n-]n1C ZINC000369538419 528118246 /nfs/dbraw/zinc/11/82/46/528118246.db2.gz ACNXNKRDAGBPKP-UHFFFAOYSA-N 0 3 307.442 2.003 20 30 DEEDHN CO[C@@H]([C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000456592578 536548510 /nfs/dbraw/zinc/54/85/10/536548510.db2.gz YBNUNGJAFDYKMK-VUCTXSBTSA-N 0 3 311.385 2.170 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000247324410 535861079 /nfs/dbraw/zinc/86/10/79/535861079.db2.gz LSCMFUMHRGHERD-PIIMJCKOSA-N 0 3 311.429 2.495 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000835065696 649874509 /nfs/dbraw/zinc/87/45/09/649874509.db2.gz RJBXOTSPPGWWSE-ZIAGYGMSSA-N 0 3 304.346 2.158 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000835068688 649874816 /nfs/dbraw/zinc/87/48/16/649874816.db2.gz HUIULXJHIYZHPW-MVWJERBFSA-N 0 3 308.740 2.428 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC/C=C/Cl)C1 ZINC001327569463 1148589406 /nfs/dbraw/zinc/58/94/06/1148589406.db2.gz ONOFXJKCMMOQEH-IQIBNGDESA-N 0 3 314.857 2.284 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001327594663 1148594017 /nfs/dbraw/zinc/59/40/17/1148594017.db2.gz GXSNEFNENADYBR-APWZRJJASA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCCOCC2)C1 ZINC001368807877 1148677631 /nfs/dbraw/zinc/67/76/31/1148677631.db2.gz LPFBMCABJJQYPO-ROKHWSDSSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1CC(C)C1 ZINC001379362856 1152615150 /nfs/dbraw/zinc/61/51/50/1152615150.db2.gz SORMMWIHCIDGHQ-MBHSVXNSSA-N 0 3 303.381 2.338 20 30 DEEDHN C=CCCC[N@@H+](CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413688 599268011 /nfs/dbraw/zinc/26/80/11/599268011.db2.gz XSNLPZHDVRBDJW-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CCCC[N@H+](CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413688 599268012 /nfs/dbraw/zinc/26/80/12/599268012.db2.gz XSNLPZHDVRBDJW-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CCCC[N@@H+](CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413688 599268016 /nfs/dbraw/zinc/26/80/16/599268016.db2.gz XSNLPZHDVRBDJW-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CCCC[N@H+](CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413688 599268017 /nfs/dbraw/zinc/26/80/17/599268017.db2.gz XSNLPZHDVRBDJW-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@H+](CCCCCO)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418297 598412167 /nfs/dbraw/zinc/41/21/67/598412167.db2.gz AHVJGPBSZRLCEZ-UHFFFAOYSA-N 0 3 301.394 2.017 20 30 DEEDHN C=CC[N@@H+](CCCCCO)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418297 598412168 /nfs/dbraw/zinc/41/21/68/598412168.db2.gz AHVJGPBSZRLCEZ-UHFFFAOYSA-N 0 3 301.394 2.017 20 30 DEEDHN C=CC[N@@H+](CCCCCO)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418297 598412166 /nfs/dbraw/zinc/41/21/66/598412166.db2.gz AHVJGPBSZRLCEZ-UHFFFAOYSA-N 0 3 301.394 2.017 20 30 DEEDHN C=CC[N@H+](CCCCCO)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418297 598412169 /nfs/dbraw/zinc/41/21/69/598412169.db2.gz AHVJGPBSZRLCEZ-UHFFFAOYSA-N 0 3 301.394 2.017 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001369785922 1149190554 /nfs/dbraw/zinc/19/05/54/1149190554.db2.gz FBZKAUSEUQLMLN-HNNXBMFYSA-N 0 3 315.889 2.248 20 30 DEEDHN C=C(Cl)CNC[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001379602808 1152650050 /nfs/dbraw/zinc/65/00/50/1152650050.db2.gz VVQCEPGXZAFDAM-ZFWWWQNUSA-N 0 3 309.841 2.136 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)[C@@H](CC)N(C)C)CCC[C@H]12 ZINC001379617462 1152654087 /nfs/dbraw/zinc/65/40/87/1152654087.db2.gz FFTJXMRLAYFLHZ-IJEWVQPXSA-N 0 3 313.873 2.192 20 30 DEEDHN C=CC(C)(C)Cc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1C ZINC001355390027 1152007866 /nfs/dbraw/zinc/00/78/66/1152007866.db2.gz BLMUUXPPEAUJTB-ZIAGYGMSSA-N 0 3 305.470 2.489 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cccnc1 ZINC001025221703 625279653 /nfs/dbraw/zinc/27/96/53/625279653.db2.gz OVBHEWJELHCNTA-ZWKOTPCHSA-N 0 3 311.429 2.103 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(F)cn1 ZINC001025224409 625281635 /nfs/dbraw/zinc/28/16/35/625281635.db2.gz PLRNRHUKJQQIAJ-DLBZAZTESA-N 0 3 315.392 2.313 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2ocnc2C(F)(F)F)C1 ZINC001023510232 625303776 /nfs/dbraw/zinc/30/37/76/625303776.db2.gz GDEPHVQOLSTXHN-JTQLQIEISA-N 0 3 317.311 2.321 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccncn1 ZINC001025276949 625320976 /nfs/dbraw/zinc/32/09/76/625320976.db2.gz MFCNYCUIJNNTPD-HZPDHXFCSA-N 0 3 300.406 2.122 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1[nH]cnc1CC ZINC001025295083 625328738 /nfs/dbraw/zinc/32/87/38/625328738.db2.gz DMXXLZJAFSLYLY-CVEARBPZSA-N 0 3 314.433 2.064 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2ncccc2OCCC)C1 ZINC001023572693 625330036 /nfs/dbraw/zinc/33/00/36/625330036.db2.gz LGGDVPWNGFVVRL-HNNXBMFYSA-N 0 3 317.433 2.498 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001023587279 625335078 /nfs/dbraw/zinc/33/50/78/625335078.db2.gz IEGXYOWCISWWHZ-CYBMUJFWSA-N 0 3 301.390 2.017 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C2Cc3ccccc3C2)C1 ZINC001023615335 625350839 /nfs/dbraw/zinc/35/08/39/625350839.db2.gz ITOLKCRPIKCALV-MRXNPFEDSA-N 0 3 310.441 2.253 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3cnccc3n2)C1 ZINC001023616460 625352117 /nfs/dbraw/zinc/35/21/17/625352117.db2.gz XAIBGNGBBHDZKU-OAHLLOKOSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(OCC)c2)C1 ZINC001023620924 625354777 /nfs/dbraw/zinc/35/47/77/625354777.db2.gz BUABBUUCOHSIEI-OAHLLOKOSA-N 0 3 300.402 2.160 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2nc(C3CC3)oc2C)C1 ZINC001023676652 625383958 /nfs/dbraw/zinc/38/39/58/625383958.db2.gz PEZMRBWPYUBMGX-CYBMUJFWSA-N 0 3 303.406 2.488 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2sccc2COC)C1 ZINC001023701857 625393040 /nfs/dbraw/zinc/39/30/40/625393040.db2.gz WTEVONYKAGQHAF-AWEZNQCLSA-N 0 3 320.458 2.360 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000947679573 625408407 /nfs/dbraw/zinc/40/84/07/625408407.db2.gz MMGVQTUQZQXXCZ-XJKSGUPXSA-N 0 3 304.821 2.485 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001025422743 625422274 /nfs/dbraw/zinc/42/22/74/625422274.db2.gz NMHPGCMJNZSYAD-UONOGXRCSA-N 0 3 316.449 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(CC)ccn2)C1 ZINC001025425356 625423489 /nfs/dbraw/zinc/42/34/89/625423489.db2.gz PAPOHJSKJUPUBE-DOTOQJQBSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC001025440056 625437183 /nfs/dbraw/zinc/43/71/83/625437183.db2.gz PQGOGDQLZATGOF-JSGCOSHPSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc3ncn(C)c32)C1 ZINC001025463883 625458336 /nfs/dbraw/zinc/45/83/36/625458336.db2.gz OKHIIPWHBPUZLK-GJZGRUSLSA-N 0 3 324.428 2.037 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ncccc2CC)C1 ZINC001025460593 625453461 /nfs/dbraw/zinc/45/34/61/625453461.db2.gz KNYKDRHDNBAWIH-WBVHZDCISA-N 0 3 313.445 2.498 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)C[C@@H]1C ZINC000947596940 625461744 /nfs/dbraw/zinc/46/17/44/625461744.db2.gz DQJYWUZCGVYILQ-ZFWWWQNUSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cncc3[nH]ccc32)C1 ZINC001025467802 625461961 /nfs/dbraw/zinc/46/19/61/625461961.db2.gz DENZMWQQBYQINM-KGLIPLIRSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnn(CCCC)c2C)C1 ZINC000972700844 625467491 /nfs/dbraw/zinc/46/74/91/625467491.db2.gz OZICKQUAVKWMJM-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001025488638 625480945 /nfs/dbraw/zinc/48/09/45/625480945.db2.gz KKVXFYDLAOEULY-CABCVRRESA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3c[nH]nc32)C1 ZINC001025501343 625486495 /nfs/dbraw/zinc/48/64/95/625486495.db2.gz CRSZCYBZLGNXMC-UKRRQHHQSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3n[nH]cc32)C1 ZINC001025504035 625488210 /nfs/dbraw/zinc/48/82/10/625488210.db2.gz XUCFLLZRAXGNAY-KGLIPLIRSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001025517212 625496733 /nfs/dbraw/zinc/49/67/33/625496733.db2.gz XOFGCJRLSYFFTG-HIFRSBDPSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001025518248 625497292 /nfs/dbraw/zinc/49/72/92/625497292.db2.gz DLMDZMTXCOICNV-GOEBONIOSA-N 0 3 324.428 2.417 20 30 DEEDHN Cc1nc(CNC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)cs1 ZINC001023980793 625509694 /nfs/dbraw/zinc/50/96/94/625509694.db2.gz CAEKOVNUITXIBW-HNNXBMFYSA-N 0 3 317.458 2.193 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C3CC3)no2)C1 ZINC001025547122 625525485 /nfs/dbraw/zinc/52/54/85/625525485.db2.gz YJMKHXLTATWNAD-DZGCQCFKSA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccnc2OCC(C)C)C1 ZINC000972752071 625525898 /nfs/dbraw/zinc/52/58/98/625525898.db2.gz LTCXYPPOTNZNEA-OAHLLOKOSA-N 0 3 317.433 2.449 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC000972759764 625535499 /nfs/dbraw/zinc/53/54/99/625535499.db2.gz MFEBSSOGKKKLQH-GJZGRUSLSA-N 0 3 320.458 2.471 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3nccnc32)C1 ZINC001025574171 625578330 /nfs/dbraw/zinc/57/83/30/625578330.db2.gz RBUKWOKNLIWAAE-LSDHHAIUSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnn(CCC)c2C)C1 ZINC001025578993 625583981 /nfs/dbraw/zinc/58/39/81/625583981.db2.gz ZMXHNPBWQWEQES-ZBFHGGJFSA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNCc2nccn2C)C1 ZINC001024090879 625585958 /nfs/dbraw/zinc/58/59/58/625585958.db2.gz SLZHJYJHVXJHQM-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001020499854 622742430 /nfs/dbraw/zinc/74/24/30/622742430.db2.gz FUEHMVVOFSPHFY-AEBJDNRDSA-N 0 3 300.830 2.181 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C[C@H]1C ZINC000947602204 625592208 /nfs/dbraw/zinc/59/22/08/625592208.db2.gz IXKXBOGGBYWSQY-CJNGLKHVSA-N 0 3 324.428 2.098 20 30 DEEDHN Cc1cccc(CN2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC000969507002 622799411 /nfs/dbraw/zinc/79/94/11/622799411.db2.gz WMJZYZMXEAIMLI-AWEZNQCLSA-N 0 3 322.412 2.445 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001025586160 625598090 /nfs/dbraw/zinc/59/80/90/625598090.db2.gz WPYJJKGPCQGBCR-HIFRSBDPSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)cc2OC)C1 ZINC001025600515 625621591 /nfs/dbraw/zinc/62/15/91/625621591.db2.gz MXNURNZZBFMYQG-CVEARBPZSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000970101613 623119976 /nfs/dbraw/zinc/11/99/76/623119976.db2.gz PWYSCFOLVQVWOY-CQSZACIVSA-N 0 3 300.402 2.077 20 30 DEEDHN CSc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1C#N ZINC000924040792 623136141 /nfs/dbraw/zinc/13/61/41/623136141.db2.gz LYCWYVPTWMGDQC-RISCZKNCSA-N 0 3 318.446 2.172 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2nn(C)c3ccccc32)C1 ZINC001025603617 625629265 /nfs/dbraw/zinc/62/92/65/625629265.db2.gz XDFGXRHRDVXCNO-GJZGRUSLSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2[nH]ncc2C(F)(F)F)C[C@H]1C ZINC000947381760 623219780 /nfs/dbraw/zinc/21/97/80/623219780.db2.gz CCNAZICOHBYXBP-NXEZZACHSA-N 0 3 316.327 2.197 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sccc2COC)C1 ZINC001027652167 634385799 /nfs/dbraw/zinc/38/57/99/634385799.db2.gz OZKPQOCAXCBQJA-CQSZACIVSA-N 0 3 306.431 2.064 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC000970178557 623283160 /nfs/dbraw/zinc/28/31/60/623283160.db2.gz JDELHJWTXCDINB-KGLIPLIRSA-N 0 3 312.413 2.083 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001021042014 623305382 /nfs/dbraw/zinc/30/53/82/623305382.db2.gz ABEQPACBJCVAGT-HAQNSBGRSA-N 0 3 310.829 2.146 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)ccnc2OCC)C1 ZINC000970209422 623329929 /nfs/dbraw/zinc/32/99/29/623329929.db2.gz GGTDHJVVSMGKJG-AWEZNQCLSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC000970253458 623360235 /nfs/dbraw/zinc/36/02/35/623360235.db2.gz MAVAXSCAERCJGG-KDOFPFPSSA-N 0 3 314.429 2.313 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000970253461 623360529 /nfs/dbraw/zinc/36/05/29/623360529.db2.gz MAVAXSCAERCJGG-RDTXWAMCSA-N 0 3 314.429 2.313 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC000970310054 623397639 /nfs/dbraw/zinc/39/76/39/623397639.db2.gz MPASZIWHUDDDDY-ZIAGYGMSSA-N 0 3 312.413 2.256 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC001025614068 625646797 /nfs/dbraw/zinc/64/67/97/625646797.db2.gz FXICRSZDYPLTJB-CHWSQXEVSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC000970407955 623443891 /nfs/dbraw/zinc/44/38/91/623443891.db2.gz SOMNFKKAMZZSPO-YPMHNXCESA-N 0 3 322.840 2.019 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000970438452 623453646 /nfs/dbraw/zinc/45/36/46/623453646.db2.gz WTYSCOMYMGPSCQ-GFCCVEGCSA-N 0 3 310.829 2.398 20 30 DEEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CC1)C(=O)c1cccc(F)c1 ZINC000177600591 623471169 /nfs/dbraw/zinc/47/11/69/623471169.db2.gz LHCMJCQEFRWZAH-YGRLFVJLSA-N 0 3 316.332 2.022 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2sc(CC)nc2C)C1 ZINC000970578379 623554789 /nfs/dbraw/zinc/55/47/89/623554789.db2.gz XKYKYKAMJMOUCS-LLVKDONJSA-N 0 3 305.447 2.087 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3cccnc3c2)C1 ZINC000970610512 623571549 /nfs/dbraw/zinc/57/15/49/623571549.db2.gz PAIIQWAQCYILJK-CQSZACIVSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021385764 623581541 /nfs/dbraw/zinc/58/15/41/623581541.db2.gz BQFCWHOWKHAUJY-WYNHQYOFSA-N 0 3 324.852 2.442 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC000970719438 623641845 /nfs/dbraw/zinc/64/18/45/623641845.db2.gz QSOCRGQFEBTEGA-GFCCVEGCSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC000970752245 623660356 /nfs/dbraw/zinc/66/03/56/623660356.db2.gz PWJYGDFTNUBQRM-KBXCAEBGSA-N 0 3 314.429 2.311 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3ccccc3n2)C1 ZINC000970787188 623681955 /nfs/dbraw/zinc/68/19/55/623681955.db2.gz VYJZWKMSZZCJSA-AWEZNQCLSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2c(C)noc2C)C1 ZINC001021516695 623697171 /nfs/dbraw/zinc/69/71/71/623697171.db2.gz OCRJEPROPXADGM-CVEARBPZSA-N 0 3 315.417 2.241 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2scnc2C)C1 ZINC001021531788 623709088 /nfs/dbraw/zinc/70/90/88/623709088.db2.gz CXGQWOPXFGQZSG-HUUCEWRRSA-N 0 3 317.458 2.401 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cncc(C)c2)C1 ZINC001021554802 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ZINC001001943901 635580381 /nfs/dbraw/zinc/58/03/81/635580381.db2.gz HQMZMZOZYHXODE-QGZVFWFLSA-N 0 3 312.413 2.014 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cccc3cccnc32)CC1 ZINC000981722432 635608500 /nfs/dbraw/zinc/60/85/00/635608500.db2.gz YPPYPDMYXDHPNZ-UHFFFAOYSA-N 0 3 321.424 2.335 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000981731737 635614743 /nfs/dbraw/zinc/61/47/43/635614743.db2.gz NDJDDEWYCQOSCZ-SFHVURJKSA-N 0 3 314.429 2.411 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C)n(C(F)F)n3)C2)C1 ZINC000981793628 635653133 /nfs/dbraw/zinc/65/31/33/635653133.db2.gz AHRKEJRSYFEPKD-UHFFFAOYSA-N 0 3 324.375 2.311 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCCO[C@H]3CC)C2)C1 ZINC000981806043 635662793 /nfs/dbraw/zinc/66/27/93/635662793.db2.gz HFLOODCJXFLVAJ-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1 ZINC000981850429 635690314 /nfs/dbraw/zinc/69/03/14/635690314.db2.gz HLWCFJBMHCONAF-UHFFFAOYSA-N 0 3 323.440 2.278 20 30 DEEDHN C=CCN1CCCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)CC1 ZINC000981950996 635758934 /nfs/dbraw/zinc/75/89/34/635758934.db2.gz OEYPITFCGYZNEO-UHFFFAOYSA-N 0 3 316.327 2.071 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001028170400 635765568 /nfs/dbraw/zinc/76/55/68/635765568.db2.gz QSCKRAYTCVQXKI-HNNXBMFYSA-N 0 3 300.402 2.221 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3conc3C3CC3)C2)C1 ZINC000982005667 635806411 /nfs/dbraw/zinc/80/64/11/635806411.db2.gz XFTALOXEGHPULT-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ocnc3C3CC3)C2)C1 ZINC000982011433 635809952 /nfs/dbraw/zinc/80/99/52/635809952.db2.gz CITMROXSSKHNPX-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cncc(Cl)c3)C2)C1 ZINC000982069042 635858526 /nfs/dbraw/zinc/85/85/26/635858526.db2.gz KWAFQLKIDRCPKG-UHFFFAOYSA-N 0 3 305.809 2.459 20 30 DEEDHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000837560192 650219441 /nfs/dbraw/zinc/21/94/41/650219441.db2.gz UXECGXBVZKGNQT-OAHLLOKOSA-N 0 3 317.458 2.145 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3coc(CCC)n3)C2)C1 ZINC000982116727 635876865 /nfs/dbraw/zinc/87/68/65/635876865.db2.gz RGLZTTAQBGYNLP-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3scnc3C)C[C@]2(C)C1 ZINC000982222018 635912791 /nfs/dbraw/zinc/91/27/91/635912791.db2.gz UILYFEWPQOEPKL-CALCHBBNSA-N 0 3 317.458 2.259 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001028239551 635945324 /nfs/dbraw/zinc/94/53/24/635945324.db2.gz PNYZWOGYKKQAAT-QGZVFWFLSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001028242112 635951540 /nfs/dbraw/zinc/95/15/40/635951540.db2.gz BYJFJOHKXPZUMR-INIZCTEOSA-N 0 3 310.401 2.457 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cccn3CC=C)C[C@]2(C)C1 ZINC000982296538 635954815 /nfs/dbraw/zinc/95/48/15/635954815.db2.gz UIMBVVDRHFYFJZ-KDURUIRLSA-N 0 3 311.429 2.091 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cncc(CC)c3)C[C@]2(C)C1 ZINC000982374629 635999341 /nfs/dbraw/zinc/99/93/41/635999341.db2.gz 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/nfs/dbraw/zinc/28/97/66/636289766.db2.gz ALSGPZDTNMRYDD-KRWDZBQOSA-N 0 3 314.433 2.137 20 30 DEEDHN CC1(C)CN(C2(CNC(=O)NCCC#N)CCCCC2)CCO1 ZINC000426425439 636289859 /nfs/dbraw/zinc/28/98/59/636289859.db2.gz QJUOXZBZZWJPCA-UHFFFAOYSA-N 0 3 322.453 2.013 20 30 DEEDHN C=C[C@H](O)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000924890040 636377080 /nfs/dbraw/zinc/37/70/80/636377080.db2.gz QCHTZYDZZORGGP-LBPRGKRZSA-N 0 3 302.296 2.252 20 30 DEEDHN CCC(=O)N1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000178845576 636379680 /nfs/dbraw/zinc/37/96/80/636379680.db2.gz HKAJFGJKLVFIOK-NWDGAFQWSA-N 0 3 311.341 2.263 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cn4ccccc4n3)C[C@]2(C)C1 ZINC000982771858 636391044 /nfs/dbraw/zinc/39/10/44/636391044.db2.gz DOZNVPCTFRDEKN-KDURUIRLSA-N 0 3 324.428 2.304 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)Cc3cccc(F)c3)C[C@]2(C)C1 ZINC000982783292 636398603 /nfs/dbraw/zinc/39/86/03/636398603.db2.gz UBTFHZKYNGQONA-KDURUIRLSA-N 0 3 314.404 2.172 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN(Cc2cccnc2)C1 ZINC001028593901 636460234 /nfs/dbraw/zinc/46/02/34/636460234.db2.gz WQKSZNZYSAVFBC-KRWDZBQOSA-N 0 3 324.428 2.321 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(Cc2ccccc2)nn1 ZINC000894216960 636485743 /nfs/dbraw/zinc/48/57/43/636485743.db2.gz LWEGJJMZJFRAFT-WMZOPIPTSA-N 0 3 312.417 2.397 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)C[C@@H]1C ZINC000947784136 636500717 /nfs/dbraw/zinc/50/07/17/636500717.db2.gz RWZUOPIKBJZUQM-UONOGXRCSA-N 0 3 315.417 2.127 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001028630505 636517420 /nfs/dbraw/zinc/51/74/20/636517420.db2.gz MNIDIFWBTBSBHS-ZDUSSCGKSA-N 0 3 311.429 2.454 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001028644700 636542586 /nfs/dbraw/zinc/54/25/86/636542586.db2.gz ZAZZUFRHWLEVEF-OAHLLOKOSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC000982965530 636560027 /nfs/dbraw/zinc/56/00/27/636560027.db2.gz 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/nfs/dbraw/zinc/72/65/65/636726565.db2.gz MMNAIHMBUSDQKE-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001028824272 636760363 /nfs/dbraw/zinc/76/03/63/636760363.db2.gz JIFKSAFOWFCWGX-SNVBAGLBSA-N 0 3 312.747 2.303 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(F)cc3cccnc32)C1 ZINC001028840884 636779318 /nfs/dbraw/zinc/77/93/18/636779318.db2.gz OFHKXZSCYLYLKM-ZDUSSCGKSA-N 0 3 311.360 2.059 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn(C)c2Cl)CC1 ZINC001005587772 636790846 /nfs/dbraw/zinc/79/08/46/636790846.db2.gz JZIMGPIHMSGWOY-UHFFFAOYSA-N 0 3 310.829 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001028869158 636801521 /nfs/dbraw/zinc/80/15/21/636801521.db2.gz PAOJLGIPALQXEV-HNNXBMFYSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCN1CCC(N(C)C(=O)c2n[nH]c(C3CC3)c2Cl)CC1 ZINC001005662510 636807265 /nfs/dbraw/zinc/80/72/65/636807265.db2.gz GMWYUWIAVLNAOG-UHFFFAOYSA-N 0 3 320.824 2.110 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001028891684 636819534 /nfs/dbraw/zinc/81/95/34/636819534.db2.gz HFORTCCWOUZOIR-CQSZACIVSA-N 0 3 317.458 2.089 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001028900274 636829286 /nfs/dbraw/zinc/82/92/86/636829286.db2.gz YMUPNJHYBCFAJO-CYBMUJFWSA-N 0 3 301.390 2.017 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)CC1 ZINC001005734990 636832310 /nfs/dbraw/zinc/83/23/10/636832310.db2.gz HHZFSSBWBPZJEG-CXAGYDPISA-N 0 3 316.449 2.184 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001028909415 636841946 /nfs/dbraw/zinc/84/19/46/636841946.db2.gz JOTZQARPKBEKOC-LBPRGKRZSA-N 0 3 301.415 2.304 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001029008414 636949981 /nfs/dbraw/zinc/94/99/81/636949981.db2.gz AZWZPSKGRJRZCZ-PBPGXSGUSA-N 0 3 308.425 2.180 20 30 DEEDHN C#CCN(C(=O)NC[C@H]1C(C)(C)C1(F)F)C1CCN(C)CC1 ZINC000923320401 637114501 /nfs/dbraw/zinc/11/45/01/637114501.db2.gz XSNDUXBTBWGDEV-ZDUSSCGKSA-N 0 3 313.392 2.017 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC001006151423 637248784 /nfs/dbraw/zinc/24/87/84/637248784.db2.gz LPKWMFJORWTOHE-LBPRGKRZSA-N 0 3 304.438 2.239 20 30 DEEDHN C#C[C@H](NC(=O)N(CCc1ccccc1)CCN(C)C)C(C)C ZINC000838595171 637611081 /nfs/dbraw/zinc/61/10/81/637611081.db2.gz BTGATXSGLTXNST-SFHVURJKSA-N 0 3 315.461 2.460 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2ncsc2c1 ZINC000838622861 637613468 /nfs/dbraw/zinc/61/34/68/637613468.db2.gz REIXCWLVKZPMJV-UHFFFAOYSA-N 0 3 302.403 2.373 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N)c(OC)c2)CC1 ZINC000841267128 637781751 /nfs/dbraw/zinc/78/17/51/637781751.db2.gz YRUTWPCWPBGRJP-UHFFFAOYSA-N 0 3 318.421 2.439 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)SC ZINC000103330181 637818290 /nfs/dbraw/zinc/81/82/90/637818290.db2.gz UGCGOZYRYYCDKN-QWRGUYRKSA-N 0 3 306.387 2.484 20 30 DEEDHN COc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC(C)C ZINC000103330330 637818533 /nfs/dbraw/zinc/81/85/33/637818533.db2.gz JNDWEAITDDPBSU-OCCSQVGLSA-N 0 3 302.374 2.422 20 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QESRIHYSTQACPA-GYZOOYGHSA-N 0 3 303.406 2.278 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(C2CC2)nn1C ZINC000897224243 639258736 /nfs/dbraw/zinc/25/87/36/639258736.db2.gz LFMUWWHNTUYDCF-CYBMUJFWSA-N 0 3 302.422 2.486 20 30 DEEDHN CCc1noc(C)c1CN(C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000985339104 639293187 /nfs/dbraw/zinc/29/31/87/639293187.db2.gz QTWSWXXHMXKYKW-GFCCVEGCSA-N 0 3 318.421 2.128 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccnc(C#N)c1)C1CC1 ZINC000754400377 639425263 /nfs/dbraw/zinc/42/52/63/639425263.db2.gz DURMUAJGAGNWNQ-HNNXBMFYSA-N 0 3 316.405 2.346 20 30 DEEDHN C#CCOc1ccc(CN[C@@H]2C(=O)NCC2(CC)CC)cc1 ZINC000897346103 639528492 /nfs/dbraw/zinc/52/84/92/639528492.db2.gz RPKMVXGOICHGFL-MRXNPFEDSA-N 0 3 300.402 2.093 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1ccccc1Cl)[C@H]1CCCO1 ZINC000839564630 639755547 /nfs/dbraw/zinc/75/55/47/639755547.db2.gz SHESUGDEXGAOGT-DZGCQCFKSA-N 0 3 306.793 2.439 20 30 DEEDHN C#C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCCO1 ZINC000839563072 639764431 /nfs/dbraw/zinc/76/44/31/639764431.db2.gz FZWWCIIXCNWYGN-JKSUJKDBSA-N 0 3 320.820 2.117 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCN2CCOC[C@H]2C)c([O-])c1 ZINC000729149668 640067561 /nfs/dbraw/zinc/06/75/61/640067561.db2.gz NGGZGLVXCRDBFV-DQPIFXJKSA-N 0 3 319.449 2.378 20 30 DEEDHN C=C(Br)CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000841745544 650555608 /nfs/dbraw/zinc/55/56/08/650555608.db2.gz PTBVEFJRPVKJTP-ZDUSSCGKSA-N 0 3 324.222 2.081 20 30 DEEDHN CCOc1cc(C=NNc2ccc(-n3ccnc3)nn2)ccc1O ZINC000761848429 640353202 /nfs/dbraw/zinc/35/32/02/640353202.db2.gz YHUOQUARNOCIQB-UHFFFAOYSA-N 0 3 324.344 2.213 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)c1ccon1 ZINC000988224263 640373978 /nfs/dbraw/zinc/37/39/78/640373978.db2.gz HGZLLACXEJUZFY-GHMZBOCLSA-N 0 3 316.386 2.001 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1C[C@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988825540 640674976 /nfs/dbraw/zinc/67/49/76/640674976.db2.gz MBZDBVLOQZMVDS-NHYWBVRUSA-N 0 3 317.458 2.252 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000988874684 640680886 /nfs/dbraw/zinc/68/08/86/640680886.db2.gz LUKSKAZCNOTDID-ZBFHGGJFSA-N 0 3 300.402 2.138 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3nc2C)C1 ZINC000988914704 640688651 /nfs/dbraw/zinc/68/86/51/640688651.db2.gz BGFYOVRWEGFWLE-CJNGLKHVSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000988952242 640695479 /nfs/dbraw/zinc/69/54/79/640695479.db2.gz ADWGGBFLKKTMEO-RLIYEPBISA-N 0 3 300.446 2.271 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC000988969509 640699555 /nfs/dbraw/zinc/69/95/55/640699555.db2.gz WZFKRJDMCPLXKG-GXTWGEPZSA-N 0 3 313.376 2.143 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000989133353 640730901 /nfs/dbraw/zinc/73/09/01/640730901.db2.gz VKKOOPLKCSXSOI-RDJZCZTQSA-N 0 3 307.397 2.303 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000989234869 640762013 /nfs/dbraw/zinc/76/20/13/640762013.db2.gz GOLBDYXVPBOGDS-CZUORRHYSA-N 0 3 304.821 2.485 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)c3ccncc23)C1 ZINC000989337121 640800272 /nfs/dbraw/zinc/80/02/72/640800272.db2.gz CCHGQRDQNDZJNM-CHWSQXEVSA-N 0 3 311.360 2.200 20 30 DEEDHN C=C(C)CN1CCC(NC(=S)NCCc2cccnc2)CC1 ZINC000729943134 640862040 /nfs/dbraw/zinc/86/20/40/640862040.db2.gz ZZEMNXSFOOZHFM-UHFFFAOYSA-N 0 3 318.490 2.129 20 30 DEEDHN C#CCSCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000897691660 640906284 /nfs/dbraw/zinc/90/62/84/640906284.db2.gz PAYDCZFLCCFLMP-CQSZACIVSA-N 0 3 310.850 2.425 20 30 DEEDHN C#Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000897815955 640942592 /nfs/dbraw/zinc/94/25/92/640942592.db2.gz HPKIREGMSAEFSP-LJQANCHMSA-N 0 3 320.392 2.487 20 30 DEEDHN COC(=O)c1cc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000897987213 640996153 /nfs/dbraw/zinc/99/61/53/640996153.db2.gz OPVAXLHKSDXYTN-XQQFMLRXSA-N 0 3 302.378 2.177 20 30 DEEDHN Cn1cc([C@]2(CNCc3csc(C#N)c3)CCCO2)cn1 ZINC000898050091 640999237 /nfs/dbraw/zinc/99/92/37/640999237.db2.gz OWBUKKVINLRVOO-OAHLLOKOSA-N 0 3 302.403 2.149 20 30 DEEDHN Cn1cc([C@@]2(CNCc3ccc(C#N)cc3F)CCCO2)cn1 ZINC000898058637 641012578 /nfs/dbraw/zinc/01/25/78/641012578.db2.gz QOQJDBYIGQVKRK-KRWDZBQOSA-N 0 3 314.364 2.226 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(-c3cnco3)cc2)CC1 ZINC000898061138 641013080 /nfs/dbraw/zinc/01/30/80/641013080.db2.gz ZFVHMANNJHOTCQ-UHFFFAOYSA-N 0 3 323.396 2.303 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc(-c3ccoc3)s2)C1 ZINC000989532916 641139559 /nfs/dbraw/zinc/13/95/59/641139559.db2.gz KCVJSDPBZBWZNV-WCQYABFASA-N 0 3 315.398 2.229 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2Cl)C1 ZINC000989568805 641148989 /nfs/dbraw/zinc/14/89/89/641148989.db2.gz NVTOMNMOOJEHFQ-VXGBXAGGSA-N 0 3 306.793 2.174 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC000989621242 641172050 /nfs/dbraw/zinc/17/20/50/641172050.db2.gz GWMMHDQLYAKICI-CZUORRHYSA-N 0 3 312.413 2.398 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(OCCC)c2)C1 ZINC000989655886 641187898 /nfs/dbraw/zinc/18/78/98/641187898.db2.gz ACWIBPBGGPXUNC-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC000989689142 641196913 /nfs/dbraw/zinc/19/69/13/641196913.db2.gz AAYPMBUDEYFVBR-SUMWQHHRSA-N 0 3 313.445 2.341 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000989690323 641196918 /nfs/dbraw/zinc/19/69/18/641196918.db2.gz KOYCNNMELAHXTO-HIFRSBDPSA-N 0 3 309.369 2.167 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769285419 641210367 /nfs/dbraw/zinc/21/03/67/641210367.db2.gz YYNNPLGZEZCJFN-HUUCEWRRSA-N 0 3 320.364 2.337 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)COc2c(C)cc(C)cc2C)C1 ZINC000989752409 641222671 /nfs/dbraw/zinc/22/26/71/641222671.db2.gz MKBPNPVAXJFJBW-IRXDYDNUSA-N 0 3 314.429 2.203 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2sc(CCC)nc2C)C1 ZINC000989793692 641234016 /nfs/dbraw/zinc/23/40/16/641234016.db2.gz MDBLBSNDPLHGRX-WCQYABFASA-N 0 3 305.447 2.230 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)c3occc32)C1 ZINC000989819176 641241658 /nfs/dbraw/zinc/24/16/58/641241658.db2.gz DAICUNPOMABAEJ-VXGBXAGGSA-N 0 3 300.333 2.398 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2C[C@H](NCCF)C[C@@H]2C)cc1 ZINC000989839066 641247934 /nfs/dbraw/zinc/24/79/34/641247934.db2.gz UADBGCSGYCEUFK-GOEBONIOSA-N 0 3 320.408 2.342 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)C(C)(C)F)CC1 ZINC000989843532 641251981 /nfs/dbraw/zinc/25/19/81/641251981.db2.gz OILIXVLUIVTDSA-UHFFFAOYSA-N 0 3 307.207 2.224 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c(C)oc3ccccc32)C1 ZINC000989874488 641268779 /nfs/dbraw/zinc/26/87/79/641268779.db2.gz XXPLPCNLFKNNBK-UKRRQHHQSA-N 0 3 310.397 2.496 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925327406 641323321 /nfs/dbraw/zinc/32/33/21/641323321.db2.gz WARSYYGDSIHOAN-WCQYABFASA-N 0 3 302.378 2.171 20 30 DEEDHN CCCc1nc(C)c(CNC2CCN(C(=O)[C@H](C)C#N)CC2)o1 ZINC000990262006 641420197 /nfs/dbraw/zinc/42/01/97/641420197.db2.gz KRFPLZRAIPPVJG-GFCCVEGCSA-N 0 3 318.421 2.176 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(C)ncn3)CCC[C@H]12 ZINC000990264730 641421525 /nfs/dbraw/zinc/42/15/25/641421525.db2.gz HJXBWTJZJDDTGB-DOTOQJQBSA-N 0 3 300.406 2.088 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000990612847 641551051 /nfs/dbraw/zinc/55/10/51/641551051.db2.gz WVBKVONDOZBLFL-PLNGDYQASA-N 0 3 313.239 2.442 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]cnc32)C[C@@H]1C ZINC000947842856 641576859 /nfs/dbraw/zinc/57/68/59/641576859.db2.gz WZAIEUZRMSNNLX-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CN(C)c1ccccc1 ZINC000772642635 641668888 /nfs/dbraw/zinc/66/88/88/641668888.db2.gz IVEOUGOQSGKUKM-HNNXBMFYSA-N 0 3 301.390 2.138 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCc2ccccc2O1 ZINC000842284351 650693703 /nfs/dbraw/zinc/69/37/03/650693703.db2.gz IMHYVEAVIUBELW-HOCLYGCPSA-N 0 3 314.385 2.395 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC/C=C\Cl ZINC000899057440 641909491 /nfs/dbraw/zinc/90/94/91/641909491.db2.gz NMHSKCMLRASUJY-BAQGIRSFSA-N 0 3 320.824 2.384 20 30 DEEDHN CCN(CC)CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F ZINC000899096563 641930922 /nfs/dbraw/zinc/93/09/22/641930922.db2.gz YQCXAPVMSCZRTB-UHFFFAOYSA-N 0 3 312.229 2.277 20 30 DEEDHN C#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)[C@@H]1CCCO1 ZINC000775341449 642031718 /nfs/dbraw/zinc/03/17/18/642031718.db2.gz PKNRBWRPBMRNIE-MSOLQXFVSA-N 0 3 312.413 2.193 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)CC#N)cc2)CC1 ZINC000775455579 642046194 /nfs/dbraw/zinc/04/61/94/642046194.db2.gz HGFNQOCMZSMOHU-CQSZACIVSA-N 0 3 315.421 2.252 20 30 DEEDHN C#CCN(C(=S)NC(C1CC1)C1CC1)C1CCN(C)CC1 ZINC000899613733 642122597 /nfs/dbraw/zinc/12/25/97/642122597.db2.gz MDDXFRPYINDQKU-UHFFFAOYSA-N 0 3 305.491 2.079 20 30 DEEDHN CCCCC1N=NC(=S)N1N=Cc1cnccc1N(C)C ZINC000776178745 642139661 /nfs/dbraw/zinc/13/96/61/642139661.db2.gz CVAXKLUOZPECNC-UHFFFAOYSA-N 0 3 304.423 2.253 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000900521281 642396058 /nfs/dbraw/zinc/39/60/58/642396058.db2.gz YPKJKNMXPKJLNM-IJDCCNJMSA-N 0 3 312.413 2.431 20 30 DEEDHN C=C[C@](C)(O)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC000900836442 642497345 /nfs/dbraw/zinc/49/73/45/642497345.db2.gz UEOLPBJHJJAVBN-FQEVSTJZSA-N 0 3 324.424 2.419 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000900907304 642513090 /nfs/dbraw/zinc/51/30/90/642513090.db2.gz GGOAZTOOKNDEQX-ZUQFGZKASA-N 0 3 312.413 2.429 20 30 DEEDHN COc1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1C#N ZINC000784618101 643158505 /nfs/dbraw/zinc/15/85/05/643158505.db2.gz MHKILBNLITWTGD-UHFFFAOYSA-N 0 3 308.341 2.439 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OCC(N)=O)cc1 ZINC000785614490 643255061 /nfs/dbraw/zinc/25/50/61/643255061.db2.gz LBDMOHKMWSCEFD-SFHVURJKSA-N 0 3 321.380 2.199 20 30 DEEDHN CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C#N)c1 ZINC000903399005 643344177 /nfs/dbraw/zinc/34/41/77/643344177.db2.gz LXGHQWKUBFZEQJ-HOTGVXAUSA-N 0 3 323.400 2.373 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)OC ZINC000786305770 643351096 /nfs/dbraw/zinc/35/10/96/643351096.db2.gz CMHBSILTFXLMJV-LLVKDONJSA-N 0 3 304.346 2.158 20 30 DEEDHN COCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533033 643380536 /nfs/dbraw/zinc/38/05/36/643380536.db2.gz CTVFUEWFZYTSFT-ZDUSSCGKSA-N 0 3 308.765 2.092 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CC(F)(F)C2)c1 ZINC000786551123 643383195 /nfs/dbraw/zinc/38/31/95/643383195.db2.gz BZQMGXCFPCGZKR-CYBMUJFWSA-N 0 3 306.312 2.365 20 30 DEEDHN CC(C)(C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568457 643386503 /nfs/dbraw/zinc/38/65/03/643386503.db2.gz HCIILFGGEBSMFL-NSHDSACASA-N 0 3 324.327 2.105 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572589 643387369 /nfs/dbraw/zinc/38/73/69/643387369.db2.gz YPSPGTACBWQIQC-PWSUYJOCSA-N 0 3 324.327 2.105 20 30 DEEDHN COC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)[C@H]1CCCO1 ZINC000788535133 643621601 /nfs/dbraw/zinc/62/16/01/643621601.db2.gz KHCNWKWFPZQVPA-XOKHGSTOSA-N 0 3 304.390 2.261 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCOCC1 ZINC000128956118 643741778 /nfs/dbraw/zinc/74/17/78/643741778.db2.gz YCZMRVISCQPZDQ-ZDUSSCGKSA-N 0 3 316.357 2.159 20 30 DEEDHN COc1cc(F)c(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905085484 643779756 /nfs/dbraw/zinc/77/97/56/643779756.db2.gz NOCCXVURCVQFFT-YXSUAUNDSA-N 0 3 303.293 2.275 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\CCCc2ncn(C)n2)c([O-])c1 ZINC000843266930 650939727 /nfs/dbraw/zinc/93/97/27/650939727.db2.gz QLHXPUVPSPUIEQ-PDGQHHTCSA-N 0 3 315.421 2.419 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)N[C@H](C[C@H](C)CC)C2=O)CC1 ZINC000843312111 650947344 /nfs/dbraw/zinc/94/73/44/650947344.db2.gz XHYDAAPPZDOMOY-UKRRQHHQSA-N 0 3 307.438 2.384 20 30 DEEDHN C#CCCCc1nnc(N2CCN(C)[C@@H](C(C)C)C2)n1CC=C ZINC000908723759 644967185 /nfs/dbraw/zinc/96/71/85/644967185.db2.gz AXSNLHRARNQUTA-MRXNPFEDSA-N 0 3 315.465 2.196 20 30 DEEDHN C#CCCCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC ZINC000908879532 645024206 /nfs/dbraw/zinc/02/42/06/645024206.db2.gz WUAVLGJSTZOVBA-HUUCEWRRSA-N 0 3 303.454 2.173 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1 ZINC000800386987 645265314 /nfs/dbraw/zinc/26/53/14/645265314.db2.gz OQKJBHLYCWQIQG-MMYVAXCBSA-N 0 3 316.357 2.156 20 30 DEEDHN C[C@@H]1CC[C@@H](CCC(=O)C(C#N)C(=O)NCc2ccccc2)O1 ZINC000246506113 645315189 /nfs/dbraw/zinc/31/51/89/645315189.db2.gz GDDFWXFBYJPJAL-KBMXLJTQSA-N 0 3 314.385 2.359 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccn(CC(F)F)n3)CCC[C@@H]12 ZINC000991237863 645331957 /nfs/dbraw/zinc/33/19/57/645331957.db2.gz BFPWWTSXTFFUAM-CZUORRHYSA-N 0 3 324.375 2.061 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc4n(n3)CCCC4)CCC[C@H]12 ZINC000991242014 645352088 /nfs/dbraw/zinc/35/20/88/645352088.db2.gz IFQUXLLWBYQUAR-FUHWJXTLSA-N 0 3 314.433 2.132 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)NC1CCN(C(C)=O)CC1 ZINC000911632966 645766494 /nfs/dbraw/zinc/76/64/94/645766494.db2.gz NEYDHEQHVSOQEW-INIZCTEOSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000912323550 646027324 /nfs/dbraw/zinc/02/73/24/646027324.db2.gz WIQYBJMLFVLPCH-AWEZNQCLSA-N 0 3 303.406 2.367 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810530722 646372289 /nfs/dbraw/zinc/37/22/89/646372289.db2.gz FSFUQYIKOGHGGE-LLVKDONJSA-N 0 3 304.321 2.482 20 30 DEEDHN C#CCOCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000165542170 646501639 /nfs/dbraw/zinc/50/16/39/646501639.db2.gz SKHVCMLGXMXQDN-NSHDSACASA-N 0 3 322.723 2.166 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C[C@@H]1C ZINC000947313725 646505376 /nfs/dbraw/zinc/50/53/76/646505376.db2.gz CERCPWKIXIZHFF-YOEHRIQHSA-N 0 3 324.428 2.249 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)C[C@@H]1C ZINC000947739481 646512604 /nfs/dbraw/zinc/51/26/04/646512604.db2.gz ADVFIUZALYHXHS-WMLDXEAASA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cnccc3n2)C[C@@H]1C ZINC000947742616 646520939 /nfs/dbraw/zinc/52/09/39/646520939.db2.gz 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C[C@@H]1CN(C(=O)CN[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000814658934 646917742 /nfs/dbraw/zinc/91/77/42/646917742.db2.gz IKQMDGRNKAKETE-NVXWUHKLSA-N 0 3 315.417 2.258 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc(C4CC4)nc3)CCC[C@H]12 ZINC000992283894 646928462 /nfs/dbraw/zinc/92/84/62/646928462.db2.gz GGBQVDNSKNKRLY-MAUKXSAKSA-N 0 3 312.417 2.267 20 30 DEEDHN CC(Cc1ccc(Br)cc1)=NNC1=N[C@@H](C)CN1 ZINC000814898317 646942805 /nfs/dbraw/zinc/94/28/05/646942805.db2.gz ROVVWUHBPVBPBU-JTQLQIEISA-N 0 3 309.211 2.305 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C(C)C)nn3C)CCC[C@@H]12 ZINC000992369107 646960394 /nfs/dbraw/zinc/96/03/94/646960394.db2.gz MGNVCAMRUBCYBE-SJLPKXTDSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc4[nH]cnc43)CCC[C@H]12 ZINC000992370587 646960966 /nfs/dbraw/zinc/96/09/66/646960966.db2.gz SDQDDPJWNDQJTA-YJBOKZPZSA-N 0 3 310.401 2.476 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3c[nH]c4cccnc34)CCC[C@H]12 ZINC000992397210 646969933 /nfs/dbraw/zinc/96/99/33/646969933.db2.gz NYTDOXOPVCJJTL-LPHOPBHVSA-N 0 3 322.412 2.313 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3conc3COC)CCC[C@@H]12 ZINC000992417719 646989544 /nfs/dbraw/zinc/98/95/44/646989544.db2.gz QUENOOBYGVZWIR-WBVHZDCISA-N 0 3 319.405 2.124 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(OC)cc3)CCC[C@@H]12 ZINC000992440799 647007200 /nfs/dbraw/zinc/00/72/00/647007200.db2.gz SJWBTEKFWHRSDD-MJGOQNOKSA-N 0 3 312.413 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3c(C)nn(C)c3F)CCC[C@H]12 ZINC000992445065 647010459 /nfs/dbraw/zinc/01/04/59/647010459.db2.gz JRVZICNYNIIEQS-GUYCJALGSA-N 0 3 320.412 2.171 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@]12CCC[C@@H]1N(CC#CC)CC2 ZINC000992459927 647030307 /nfs/dbraw/zinc/03/03/07/647030307.db2.gz LJLUDRDEKHTRCN-FPOVZHCZSA-N 0 3 320.436 2.347 20 30 DEEDHN C#CCN(C(=O)N[C@H](C)Cc1cccs1)C1CCN(C)CC1 ZINC000914104321 647157272 /nfs/dbraw/zinc/15/72/72/647157272.db2.gz DDJAANJDSDTZBE-CQSZACIVSA-N 0 3 319.474 2.418 20 30 DEEDHN C#CCC(C)(C)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000816640310 647161777 /nfs/dbraw/zinc/16/17/77/647161777.db2.gz CFQFQFYVFXFZLJ-UHFFFAOYSA-N 0 3 301.434 2.411 20 30 DEEDHN CC(=O)N(C)CC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416298 647191379 /nfs/dbraw/zinc/19/13/79/647191379.db2.gz CITUSWFARZWQGE-SNVBAGLBSA-N 0 3 305.334 2.090 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nc2ccccc2s1 ZINC000818110112 647422669 /nfs/dbraw/zinc/42/26/69/647422669.db2.gz VNWVPNLCOPJZBU-MNOVXSKESA-N 0 3 302.403 2.495 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000818588646 647483205 /nfs/dbraw/zinc/48/32/05/647483205.db2.gz AAMLOIUIJPBJEZ-UHFFFAOYSA-N 0 3 310.401 2.070 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[O-] ZINC000915271205 647503642 /nfs/dbraw/zinc/50/36/42/647503642.db2.gz NVWBCSUIICWOID-WJNVDMNUSA-N 0 3 305.422 2.270 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@H](C)[N@H+]2CCCC[C@@H]2C)c1[O-] ZINC000915271205 647503643 /nfs/dbraw/zinc/50/36/43/647503643.db2.gz NVWBCSUIICWOID-WJNVDMNUSA-N 0 3 305.422 2.270 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc3[nH]cnc32)[C@H]1C ZINC000993378863 647638499 /nfs/dbraw/zinc/63/84/99/647638499.db2.gz KKBGHDJMRABUDJ-OCCSQVGLSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H]1C ZINC000993407214 647652236 /nfs/dbraw/zinc/65/22/36/647652236.db2.gz FGCOEOIGPOWXSZ-JKSUJKDBSA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@@H]1C ZINC000993411277 647655456 /nfs/dbraw/zinc/65/54/56/647655456.db2.gz HSFIYSYOYQEMMH-DZGCQCFKSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@H]1C ZINC000993460972 647678766 /nfs/dbraw/zinc/67/87/66/647678766.db2.gz CHGZFUVUKOBGGG-UKRRQHHQSA-N 0 3 304.438 2.060 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C)c(C)nc2C)[C@H]1C ZINC000993582660 647696690 /nfs/dbraw/zinc/69/66/90/647696690.db2.gz FZJLJJHJCRYJFE-CVEARBPZSA-N 0 3 314.433 2.008 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2sc(C)nc2C)[C@H]1C ZINC000993613799 647707003 /nfs/dbraw/zinc/70/70/03/647707003.db2.gz PVPOBMABBOOZGV-UKRRQHHQSA-N 0 3 319.474 2.295 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn(C(C)C)cn2)[C@H]1C ZINC000993617228 647708297 /nfs/dbraw/zinc/70/82/97/647708297.db2.gz ADXYZWRIZQHVLN-CABCVRRESA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ncccc2OC)[C@H]1C ZINC000993705876 647727453 /nfs/dbraw/zinc/72/74/53/647727453.db2.gz WQCBMPWFXWRKHS-HUUCEWRRSA-N 0 3 317.433 2.178 20 30 DEEDHN Cc1cccc(C)c1NC(=S)NN=C1CCN(CCO)CC1 ZINC000819801344 647729148 /nfs/dbraw/zinc/72/91/48/647729148.db2.gz JDYKOXSAJHVWHA-UHFFFAOYSA-N 0 3 320.462 2.034 20 30 DEEDHN COC(=O)CCCN1CCC(=NN[C@@H](C)c2ccncc2)CC1 ZINC000819816168 647730625 /nfs/dbraw/zinc/73/06/25/647730625.db2.gz YJYBBSVAXFNUSD-AWEZNQCLSA-N 0 3 318.421 2.137 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)n1cccn1 ZINC000819941314 647745099 /nfs/dbraw/zinc/74/50/99/647745099.db2.gz JUWREGCVKMQQHR-ZIAGYGMSSA-N 0 3 304.394 2.240 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)nn2CC)[C@H]1C ZINC000993853667 647756059 /nfs/dbraw/zinc/75/60/59/647756059.db2.gz AFICYWWFHZQUHG-HUUCEWRRSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2scnc2COC)[C@H]1C ZINC000993964162 647768795 /nfs/dbraw/zinc/76/87/95/647768795.db2.gz NUPRLMJLXHQHJK-CHWSQXEVSA-N 0 3 323.462 2.448 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H]1C ZINC000993971182 647775549 /nfs/dbraw/zinc/77/55/49/647775549.db2.gz IUDYHAIOOXTHTR-RYUDHWBXSA-N 0 3 321.446 2.006 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(OC)n2)[C@@H]1C ZINC000994128882 647790736 /nfs/dbraw/zinc/79/07/36/647790736.db2.gz DWWGSDNRCHHTGV-KBPBESRZSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@H]1C ZINC000994111215 647792447 /nfs/dbraw/zinc/79/24/47/647792447.db2.gz GCNBZROQCIZSQV-NVXWUHKLSA-N 0 3 316.449 2.145 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCSCC1 ZINC000733052515 647814406 /nfs/dbraw/zinc/81/44/06/647814406.db2.gz BEOXAMVZUKQYEU-LBPRGKRZSA-N 0 3 318.398 2.486 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)[C@H]1C ZINC000994238081 647816447 /nfs/dbraw/zinc/81/64/47/647816447.db2.gz HVZHIBFAKSLVNZ-NVXWUHKLSA-N 0 3 324.428 2.029 20 30 DEEDHN C[C@H]1CN(C(=O)C2(C#N)CCSCC2)CCN(C2CCC2)C1 ZINC000820307994 647821878 /nfs/dbraw/zinc/82/18/78/647821878.db2.gz FZGSQUITCCQXQS-CQSZACIVSA-N 0 3 321.490 2.356 20 30 DEEDHN C#C[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000820590951 647876492 /nfs/dbraw/zinc/87/64/92/647876492.db2.gz MKFNHMSLFYVAQM-MAUKXSAKSA-N 0 3 311.429 2.487 20 30 DEEDHN Cc1ccc(Cl)c(OCC(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000916866927 647935151 /nfs/dbraw/zinc/93/51/51/647935151.db2.gz NENXIEYALKUVIW-GFCCVEGCSA-N 0 3 320.776 2.359 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccccc1C ZINC000916875143 647936180 /nfs/dbraw/zinc/93/61/80/647936180.db2.gz SXEHUPKNAMAMNN-CQSZACIVSA-N 0 3 302.374 2.389 20 30 DEEDHN COc1ccccc1OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916899029 647938070 /nfs/dbraw/zinc/93/80/70/647938070.db2.gz MAIRTMNEILNXSH-CQSZACIVSA-N 0 3 324.336 2.422 20 30 DEEDHN C=CCCn1cc(C(=O)OC[C@H]2CCCCN2C(C)C)nn1 ZINC000820964968 647957378 /nfs/dbraw/zinc/95/73/78/647957378.db2.gz BAICNKMERWMWPA-CQSZACIVSA-N 0 3 306.410 2.274 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2[nH]nc3ccccc32)[C@@H]1C ZINC000994498477 647970897 /nfs/dbraw/zinc/97/08/97/647970897.db2.gz MUMBPLAWNHQVJI-HOCLYGCPSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@H]1C ZINC000994503734 647972215 /nfs/dbraw/zinc/97/22/15/647972215.db2.gz WPVDTZNTDULEFW-KGLIPLIRSA-N 0 3 303.406 2.173 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1C ZINC000994510397 647976468 /nfs/dbraw/zinc/97/64/68/647976468.db2.gz QWOFBCDFCFSGOG-MYNMMXSPSA-N 0 3 300.446 2.271 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(C)c2C2CC2)[C@H]1C ZINC000994519809 647995782 /nfs/dbraw/zinc/99/57/82/647995782.db2.gz PZMBTAWUEYROAR-CJNGLKHVSA-N 0 3 316.449 2.456 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000917909425 648039733 /nfs/dbraw/zinc/03/97/33/648039733.db2.gz OPLOYUILANZWEK-DZGCQCFKSA-N 0 3 303.406 2.143 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@H](NC(=O)C(F)F)C1 ZINC000994614991 648173337 /nfs/dbraw/zinc/17/33/37/648173337.db2.gz NUYVGTICVHETAL-RISCZKNCSA-N 0 3 307.344 2.198 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CC[C@H](SC)C1)C1CCN(C)CC1 ZINC000920686445 648242911 /nfs/dbraw/zinc/24/29/11/648242911.db2.gz LJNZDPKYJNZZAX-HIFRSBDPSA-N 0 3 309.479 2.010 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(CCC)on2)C[C@@H]1C ZINC000947871653 648346359 /nfs/dbraw/zinc/34/63/59/648346359.db2.gz ANFMINMUPJBWQI-KBPBESRZSA-N 0 3 303.406 2.233 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@H](NC(=O)c2ccon2)C1 ZINC000994778337 648357031 /nfs/dbraw/zinc/35/70/31/648357031.db2.gz YUCUJDKBZMSKRW-CJNGLKHVSA-N 0 3 324.384 2.235 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnc3c(C)cccn23)CC1 ZINC000825450549 648763888 /nfs/dbraw/zinc/76/38/88/648763888.db2.gz IDUKKUPQMQTAEM-UHFFFAOYSA-N 0 3 313.405 2.415 20 30 DEEDHN Cc1csc(CNC2(C)CCN(C(=O)C#CC3CC3)CC2)n1 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30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(OCC)no2)C(C)(C)C1 ZINC000940892722 648963237 /nfs/dbraw/zinc/96/32/37/648963237.db2.gz IRSAXMCWWAICPO-CYBMUJFWSA-N 0 3 307.394 2.090 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000941032664 648990132 /nfs/dbraw/zinc/99/01/32/648990132.db2.gz JGQUJHFJHAHRPG-DOTOQJQBSA-N 0 3 313.445 2.199 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C)c2CC)C(C)(C)C1 ZINC000941033876 648990666 /nfs/dbraw/zinc/99/06/66/648990666.db2.gz WXKDIEQTEGNTEH-KRWDZBQOSA-N 0 3 315.461 2.441 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)C(C)(C)C1 ZINC000941148392 649012002 /nfs/dbraw/zinc/01/20/02/649012002.db2.gz QFGOLLOBKPQQTR-INIZCTEOSA-N 0 3 316.449 2.309 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)C(C)(C)C1 ZINC000941211733 649020854 /nfs/dbraw/zinc/02/08/54/649020854.db2.gz YKCAPJCWSNZMEQ-QGZVFWFLSA-N 0 3 315.461 2.496 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC000941516229 649053567 /nfs/dbraw/zinc/05/35/67/649053567.db2.gz MQOJOOYDTOXDES-UHFFFAOYSA-N 0 3 307.482 2.073 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3ccccn3c2F)C[C@H]1C ZINC000947895708 649056231 /nfs/dbraw/zinc/05/62/31/649056231.db2.gz QQMSZCDKQKLKDB-OLZOCXBDSA-N 0 3 316.380 2.242 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941549787 649057181 /nfs/dbraw/zinc/05/71/81/649057181.db2.gz HGXJXRLVOVYENW-IBGZPJMESA-N 0 3 319.493 2.217 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[C@@]3(C)CC)CC2)C1 ZINC000941623402 649064572 /nfs/dbraw/zinc/06/45/72/649064572.db2.gz WLBJZPYIWPVVCW-IEBWSBKVSA-N 0 3 319.493 2.217 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(=O)OCC ZINC000827892758 649100616 /nfs/dbraw/zinc/10/06/16/649100616.db2.gz RYCDLNLHRVIMBT-STQMWFEESA-N 0 3 316.829 2.050 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2ccncc2C)CC1 ZINC000948374654 649103071 /nfs/dbraw/zinc/10/30/71/649103071.db2.gz XXNWQUDHOXJYTA-SFHVURJKSA-N 0 3 313.445 2.269 20 30 DEEDHN C#Cc1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1 ZINC000828025049 649122428 /nfs/dbraw/zinc/12/24/28/649122428.db2.gz BLYCVTQMMIKGAT-GOSISDBHSA-N 0 3 322.412 2.161 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000942075693 649151305 /nfs/dbraw/zinc/15/13/05/649151305.db2.gz GKBJEIJTXPXFQJ-QAPCUYQASA-N 0 3 314.429 2.006 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000942095225 649155202 /nfs/dbraw/zinc/15/52/02/649155202.db2.gz MOZKAFYDRZFQJZ-HOCLYGCPSA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c(F)cncc2F)CC1 ZINC000948409012 649158547 /nfs/dbraw/zinc/15/85/47/649158547.db2.gz VKZCKJMRTRFUTO-CYBMUJFWSA-N 0 3 321.371 2.310 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)[C@H](C)C1 ZINC000942112453 649158868 /nfs/dbraw/zinc/15/88/68/649158868.db2.gz CFINRUQOHUYEHS-KDOFPFPSSA-N 0 3 322.412 2.150 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H](C)C1 ZINC000942205431 649183839 /nfs/dbraw/zinc/18/38/39/649183839.db2.gz SKWUMSZOOMVBLN-GOEBONIOSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H](C)C1 ZINC000942272445 649194551 /nfs/dbraw/zinc/19/45/51/649194551.db2.gz QWAIQXRLTSAARL-WMLDXEAASA-N 0 3 311.429 2.423 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)[C@H](C)C1 ZINC000942523862 649233995 /nfs/dbraw/zinc/23/39/95/649233995.db2.gz XNVYPNZXDNAENH-WBVHZDCISA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)[C@H](C)C1 ZINC000942529886 649235384 /nfs/dbraw/zinc/23/53/84/649235384.db2.gz NKAUSIPIHDNFBA-CJNGLKHVSA-N 0 3 310.401 2.256 20 30 DEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1NC(=O)c1cnco1 ZINC000942540956 649239867 /nfs/dbraw/zinc/23/98/67/649239867.db2.gz SMBHPMVHGBZAOK-CZUORRHYSA-N 0 3 324.384 2.187 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000942546494 649242124 /nfs/dbraw/zinc/24/21/24/649242124.db2.gz VUQKOTONMGMWMT-CZUORRHYSA-N 0 3 323.396 2.014 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)[C@H](C)C1 ZINC000942546926 649242644 /nfs/dbraw/zinc/24/26/44/649242644.db2.gz COHRKNVQPDKPHV-UKRRQHHQSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OCCC)[C@H](C)C1 ZINC000942594572 649255670 /nfs/dbraw/zinc/25/56/70/649255670.db2.gz KTUIGUFICDHTQA-HUUCEWRRSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c(C)[nH]c3ccccc32)[C@H](C)C1 ZINC000942588265 649256197 /nfs/dbraw/zinc/25/61/97/649256197.db2.gz JCMBIYPZGZSFTL-KDOFPFPSSA-N 0 3 323.440 2.479 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000942860791 649294581 /nfs/dbraw/zinc/29/45/81/649294581.db2.gz UOZCOYXVIDIFQZ-YGRLFVJLSA-N 0 3 310.319 2.177 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3cnccc3n2)[C@@H](C)C1 ZINC000942980319 649309297 /nfs/dbraw/zinc/30/92/97/649309297.db2.gz VWTZMWHRNUEFEP-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000943026130 649319710 /nfs/dbraw/zinc/31/97/10/649319710.db2.gz GKDFPIBTFVNJGO-ZBEGNZNMSA-N 0 3 324.346 2.106 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](C)C1 ZINC000943255512 649356939 /nfs/dbraw/zinc/35/69/39/649356939.db2.gz OZDGLCRLEIALEZ-TZMCWYRMSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OCC)c(C)c2)[C@H](C)C1 ZINC000943255111 649357119 /nfs/dbraw/zinc/35/71/19/649357119.db2.gz NNFBXGQBLFWHMH-WBVHZDCISA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)[C@H](C)C1 ZINC000943517626 649387530 /nfs/dbraw/zinc/38/75/30/649387530.db2.gz QGNUTEMGBIJKOC-KDOFPFPSSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3cc(C)ccc23)[C@H](C)C1 ZINC000943516279 649387675 /nfs/dbraw/zinc/38/76/75/649387675.db2.gz KVKBGGUDMQCRST-CRAIPNDOSA-N 0 3 323.440 2.479 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(CC)c2C)[C@@H](C)C1 ZINC000943649445 649409170 /nfs/dbraw/zinc/40/91/70/649409170.db2.gz YCLNJKYYLSZTBN-WFASDCNBSA-N 0 3 304.438 2.146 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@H](C)C1 ZINC000943702330 649415298 /nfs/dbraw/zinc/41/52/98/649415298.db2.gz MIMYPFDMEVTZLX-PBHICJAKSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(CCC)on2)[C@H](C)C1 ZINC000943815457 649436229 /nfs/dbraw/zinc/43/62/29/649436229.db2.gz LRIAGTAYRBIKCC-HIFRSBDPSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nsnc32)[C@H](C)C1 ZINC000943875995 649449679 /nfs/dbraw/zinc/44/96/79/649449679.db2.gz HALJSBOJCCXMTG-YPMHNXCESA-N 0 3 316.430 2.318 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@@H](C)C1 ZINC000943989798 649468771 /nfs/dbraw/zinc/46/87/71/649468771.db2.gz XDAWCBWZUWPCRB-RYUDHWBXSA-N 0 3 301.415 2.303 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H](C)C1 ZINC000944061500 649478259 /nfs/dbraw/zinc/47/82/59/649478259.db2.gz FSJFRSVXINGGHS-DZGCQCFKSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2c[nH]c3cccc(C)c23)[C@@H](C)C1 ZINC000944213122 649497727 /nfs/dbraw/zinc/49/77/27/649497727.db2.gz APCUAVGROHAFSP-RDJZCZTQSA-N 0 3 323.440 2.479 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)cn2)[C@@H](C)C1 ZINC000944241086 649501908 /nfs/dbraw/zinc/50/19/08/649501908.db2.gz HRQLAIWCGZOFOY-JSGCOSHPSA-N 0 3 305.809 2.199 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1 ZINC000944347905 649514834 /nfs/dbraw/zinc/51/48/34/649514834.db2.gz RYIHEULYAOKCJP-QAPCUYQASA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)n(C)nc2Cl)[C@H](C)C1 ZINC000944489584 649527572 /nfs/dbraw/zinc/52/75/72/649527572.db2.gz AYOIMFSUWAGBLI-PWSUYJOCSA-N 0 3 310.829 2.008 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)[C@H](C)C1 ZINC000944810770 649569512 /nfs/dbraw/zinc/56/95/12/649569512.db2.gz KUVAETJZWJIYIW-HIFRSBDPSA-N 0 3 312.417 2.269 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H](C)C1 ZINC000945005744 649597946 /nfs/dbraw/zinc/59/79/46/649597946.db2.gz FCFDPSJNUCLAEL-RISCZKNCSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000945185357 649626891 /nfs/dbraw/zinc/62/68/91/649626891.db2.gz ZTYYQQFAMQUCFM-WMZOPIPTSA-N 0 3 310.441 2.486 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121582471 651275807 /nfs/dbraw/zinc/27/58/07/651275807.db2.gz XKMBTIYRYSPRFC-VXGBXAGGSA-N 0 3 308.403 2.103 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CC(=O)N(CC)C1 ZINC000846091876 651307151 /nfs/dbraw/zinc/30/71/51/651307151.db2.gz PVPMZTPWXBYECT-ZDUSSCGKSA-N 0 3 320.820 2.310 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cn1 ZINC000846174862 651313115 /nfs/dbraw/zinc/31/31/15/651313115.db2.gz VDIIBJXSUGWLLN-UHFFFAOYSA-N 0 3 322.412 2.052 20 30 DEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cnc(Cl)c(F)c1 ZINC000846835422 651355411 /nfs/dbraw/zinc/35/54/11/651355411.db2.gz JLNXDAZELRQNOU-UHFFFAOYSA-N 0 3 322.775 2.116 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCCC#N)cc1 ZINC000847625051 651406107 /nfs/dbraw/zinc/40/61/07/651406107.db2.gz AXNJSYXUHUSUTL-OAHLLOKOSA-N 0 3 313.357 2.104 20 30 DEEDHN N#CC(C(=O)C[C@@H]1OCc2ccccc21)C(=O)NC1CCCC1 ZINC000847625038 651406148 /nfs/dbraw/zinc/40/61/48/651406148.db2.gz APCOVICGMKVRMX-WBVHZDCISA-N 0 3 312.369 2.416 20 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/nfs/dbraw/zinc/15/74/42/694157442.db2.gz MZPNANSDMFQVNF-UHFFFAOYSA-N 0 3 305.426 2.006 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2c(ccnc2Cl)o1 ZINC000868580681 688065803 /nfs/dbraw/zinc/06/58/03/688065803.db2.gz DQVXLUBJWDXYEM-UHFFFAOYSA-N 0 3 305.765 2.166 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1ccco1 ZINC000868652260 688092151 /nfs/dbraw/zinc/09/21/51/688092151.db2.gz AVSFTPVGDIHYJU-HNNXBMFYSA-N 0 3 303.406 2.327 20 30 DEEDHN N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)c3ccccc3[O-])C2)c1 ZINC001018531353 688167653 /nfs/dbraw/zinc/16/76/53/688167653.db2.gz AVPXJKPYPXNRDA-INIZCTEOSA-N 0 3 321.380 2.268 20 30 DEEDHN C/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC001018694377 688209167 /nfs/dbraw/zinc/20/91/67/688209167.db2.gz FCDRWFLOYMHSOX-DQNFTHGOSA-N 0 3 313.401 2.224 20 30 DEEDHN C=C[C@@H](CC)CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000930526895 694182188 /nfs/dbraw/zinc/18/21/88/694182188.db2.gz SYMXWQXOXLMYBN-AWEZNQCLSA-N 0 3 302.422 2.374 20 30 DEEDHN COc1ccc(C)cc1CN[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001018819097 688239202 /nfs/dbraw/zinc/23/92/02/688239202.db2.gz NNXSNIAVRHFVBK-KRWDZBQOSA-N 0 3 312.413 2.108 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC001018968119 688263466 /nfs/dbraw/zinc/26/34/66/688263466.db2.gz VBEFJQDZLZRNCK-QMMMGPOBSA-N 0 3 303.214 2.492 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)c3ccoc3)C2)c(F)c1 ZINC001019987063 688435532 /nfs/dbraw/zinc/43/55/32/688435532.db2.gz KXSRJMLNKWFSQT-SHTZXODSSA-N 0 3 313.332 2.341 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)c3ccoc3)C2)c1 ZINC001019987113 688435860 /nfs/dbraw/zinc/43/58/60/688435860.db2.gz MXXYOTHXFUCCEX-SHTZXODSSA-N 0 3 313.332 2.341 20 30 DEEDHN Cc1cc(C(C#N)C(=O)C=CCOC2CCOCC2)nc(C)n1 ZINC000870136189 688494662 /nfs/dbraw/zinc/49/46/62/688494662.db2.gz JNXBSKMEOQKOOP-ABCZVMIZSA-N 0 3 315.373 2.022 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001020357294 688508554 /nfs/dbraw/zinc/50/85/54/688508554.db2.gz SGWVDEXSHSANCM-HAQNSBGRSA-N 0 3 314.838 2.497 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@]23CCO[C@H]2CCCC3)C1 ZINC001020384152 688511824 /nfs/dbraw/zinc/51/18/24/688511824.db2.gz OACFJKXMYAXVMW-YXWQFLTLSA-N 0 3 312.841 2.325 20 30 DEEDHN CC(=O)N1CCC[C@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000870224447 688516080 /nfs/dbraw/zinc/51/60/80/688516080.db2.gz FSORNUTUHSVVKY-YPMHNXCESA-N 0 3 305.403 2.454 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)c(COC)c2)CC1 ZINC000871194880 688746453 /nfs/dbraw/zinc/74/64/53/688746453.db2.gz RSRFCUFRQQBBBT-UHFFFAOYSA-N 0 3 316.401 2.125 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000872218784 688956154 /nfs/dbraw/zinc/95/61/54/688956154.db2.gz NQHRKHHSOWNXPQ-HYVNUMGLSA-N 0 3 306.381 2.363 20 30 DEEDHN Cc1cccc(CN2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001031602651 688960254 /nfs/dbraw/zinc/96/02/54/688960254.db2.gz KYDPCSKSPCWJPO-UHFFFAOYSA-N 0 3 308.385 2.057 20 30 DEEDHN Cc1cc(C)cc(CN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001031619496 688965108 /nfs/dbraw/zinc/96/51/08/688965108.db2.gz ZQTQGDFWGLHWMV-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872278434 688972483 /nfs/dbraw/zinc/97/24/83/688972483.db2.gz PYPRTSTWXXQURP-MRXNPFEDSA-N 0 3 307.438 2.172 20 30 DEEDHN Cc1cc(NN=Cc2ccc(C(=O)N3CCCC3)cc2)ccn1 ZINC000872393393 688992180 /nfs/dbraw/zinc/99/21/80/688992180.db2.gz VTIWNGWMCFTMDY-UHFFFAOYSA-N 0 3 308.385 2.494 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001032064491 689052251 /nfs/dbraw/zinc/05/22/51/689052251.db2.gz RQFFIFJLMFTDNL-UHFFFAOYSA-N 0 3 307.397 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CN([C@H](C)c3ccccc3)C2)cn1 ZINC001032138119 689069377 /nfs/dbraw/zinc/06/93/77/689069377.db2.gz LZWDHHVSAXKOOY-OAHLLOKOSA-N 0 3 319.408 2.486 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001032528408 689177918 /nfs/dbraw/zinc/17/79/18/689177918.db2.gz REXXQYQZFQFZDN-JYJNAYRXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001032654590 689214415 /nfs/dbraw/zinc/21/44/15/689214415.db2.gz DXNPLEVRORMNIX-GJZGRUSLSA-N 0 3 302.422 2.076 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001032669016 689219319 /nfs/dbraw/zinc/21/93/19/689219319.db2.gz TZXGRIRNRPFNLF-WAARBJQMSA-N 0 3 308.425 2.434 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)cc1 ZINC001032670055 689219481 /nfs/dbraw/zinc/21/94/81/689219481.db2.gz KAWVQDNMDFXEPE-ROUUACIJSA-N 0 3 324.424 2.397 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2c(c1)COC2 ZINC001032752292 689247861 /nfs/dbraw/zinc/24/78/61/689247861.db2.gz GJRPWZWQZKZORI-ROUUACIJSA-N 0 3 312.413 2.121 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032752889 689248252 /nfs/dbraw/zinc/24/82/52/689248252.db2.gz ZLCWUCFYWRMJCE-OALUTQOASA-N 0 3 308.425 2.296 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccnn2C2CCC2)C1 ZINC001033089227 689383705 /nfs/dbraw/zinc/38/37/05/689383705.db2.gz YWYLDCMGWKBUJD-OAHLLOKOSA-N 0 3 302.422 2.331 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001033104722 689387625 /nfs/dbraw/zinc/38/76/25/689387625.db2.gz YXHWHCVFYYVKQO-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2nccc3ccsc32)C1 ZINC001033163146 689409783 /nfs/dbraw/zinc/40/97/83/689409783.db2.gz GVISVODYRYNRIS-CQSZACIVSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccsc2COC)C1 ZINC001033195799 689420929 /nfs/dbraw/zinc/42/09/29/689420929.db2.gz RACPVZQVUMMEOE-ZDUSSCGKSA-N 0 3 306.431 2.064 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033249260 689438157 /nfs/dbraw/zinc/43/81/57/689438157.db2.gz XAWRDQLXTQUTQU-KRWDZBQOSA-N 0 3 311.429 2.130 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001033266197 689444347 /nfs/dbraw/zinc/44/43/47/689444347.db2.gz GNXIIXBXELDXBZ-NSHDSACASA-N 0 3 312.364 2.080 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001033307147 689455962 /nfs/dbraw/zinc/45/59/62/689455962.db2.gz VFFRIDRTADPREV-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033310316 689457785 /nfs/dbraw/zinc/45/77/85/689457785.db2.gz RVTZCQVCDYHEOU-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033391413 689485863 /nfs/dbraw/zinc/48/58/63/689485863.db2.gz RLYDUCCCPJQAHJ-MRXNPFEDSA-N 0 3 304.821 2.439 20 30 DEEDHN CCOC(=O)c1c[nH]nc1[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000931010588 694293869 /nfs/dbraw/zinc/29/38/69/694293869.db2.gz REQYGVDMJGTODO-XQQFMLRXSA-N 0 3 302.378 2.068 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccncc2Cl)C1 ZINC001033424926 689496346 /nfs/dbraw/zinc/49/63/46/689496346.db2.gz GXTFRFUGFCAHPC-CQSZACIVSA-N 0 3 307.825 2.386 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001033596923 689554930 /nfs/dbraw/zinc/55/49/30/689554930.db2.gz OAQMJSVSAUJLGO-MRXNPFEDSA-N 0 3 318.465 2.171 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001033631521 689566265 /nfs/dbraw/zinc/56/62/65/689566265.db2.gz PLGWSKVEUASWES-KRWDZBQOSA-N 0 3 313.445 2.401 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(OC)ccc2OC)C1 ZINC001033648647 689571411 /nfs/dbraw/zinc/57/14/11/689571411.db2.gz OLAPWCQQZMCXKH-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2csc(CC)n2)C1 ZINC001033687486 689584681 /nfs/dbraw/zinc/58/46/81/689584681.db2.gz HNDQHXWNHJEPGW-CQSZACIVSA-N 0 3 307.463 2.357 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2csc(CC)n2)C1 ZINC001033687485 689584731 /nfs/dbraw/zinc/58/47/31/689584731.db2.gz HNDQHXWNHJEPGW-AWEZNQCLSA-N 0 3 307.463 2.357 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2COc3ccccc32)C1 ZINC001033709835 689590585 /nfs/dbraw/zinc/59/05/85/689590585.db2.gz KJRPTYSCOUXUTG-HOCLYGCPSA-N 0 3 300.402 2.271 20 30 DEEDHN CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033786004 689617452 /nfs/dbraw/zinc/61/74/52/689617452.db2.gz PJDIRJBGXYJLEY-HNNXBMFYSA-N 0 3 300.406 2.389 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn(CC(C)C)n2)C1 ZINC001033841642 689633933 /nfs/dbraw/zinc/63/39/33/689633933.db2.gz BFLHVGQFPFDRIF-INIZCTEOSA-N 0 3 316.449 2.099 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cn(C)nc2CC)C1 ZINC001033869888 689644987 /nfs/dbraw/zinc/64/49/87/689644987.db2.gz OYBQUCFLHDXQNF-AWEZNQCLSA-N 0 3 304.438 2.095 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000931048030 694303682 /nfs/dbraw/zinc/30/36/82/694303682.db2.gz AJPVITGNBOFXSV-UHFFFAOYSA-N 0 3 320.340 2.239 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033900156 689655481 /nfs/dbraw/zinc/65/54/81/689655481.db2.gz JOVYCUAPIAGNBB-INIZCTEOSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001033935800 689667232 /nfs/dbraw/zinc/66/72/32/689667232.db2.gz KWIPHQZFBSPHKE-DLBZAZTESA-N 0 3 311.429 2.058 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001033953608 689672118 /nfs/dbraw/zinc/67/21/18/689672118.db2.gz OLKZQDCBTZRWDN-FUHWJXTLSA-N 0 3 313.445 2.295 20 30 DEEDHN C#CCN1CC[C@H](N(CC)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001033973477 689679551 /nfs/dbraw/zinc/67/95/51/689679551.db2.gz YVOGHNNBIJWLTH-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001034263598 689787476 /nfs/dbraw/zinc/78/74/76/689787476.db2.gz ZNJCZOQLLATINN-OAHLLOKOSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001034278647 689791701 /nfs/dbraw/zinc/79/17/01/689791701.db2.gz LMTPJQHAFRDHNB-HNNXBMFYSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NCCN1CCC(OC)CC1 ZINC000876320921 689800722 /nfs/dbraw/zinc/80/07/22/689800722.db2.gz TZOBPNYSIRNGNQ-UHFFFAOYSA-N 0 3 311.470 2.389 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc3nccn32)C1 ZINC001034309010 689804420 /nfs/dbraw/zinc/80/44/20/689804420.db2.gz FSVUBQAJNZZUIQ-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 ZINC000876344998 689807947 /nfs/dbraw/zinc/80/79/47/689807947.db2.gz IIDXRSXYFNCASW-UHFFFAOYSA-N 0 3 303.312 2.120 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001034327188 689810217 /nfs/dbraw/zinc/81/02/17/689810217.db2.gz XHANXOVQZYTRND-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001034327437 689810372 /nfs/dbraw/zinc/81/03/72/689810372.db2.gz ZQTCMCWRCNHXJF-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001034337103 689814021 /nfs/dbraw/zinc/81/40/21/689814021.db2.gz DEKMBDIPPNHEFW-HNNXBMFYSA-N 0 3 318.392 2.442 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)nc(C)n2)C1 ZINC001034452456 689855222 /nfs/dbraw/zinc/85/52/22/689855222.db2.gz NRQLNQGYAZEBJI-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000876556222 689855481 /nfs/dbraw/zinc/85/54/81/689855481.db2.gz KEPRFEPSPBAAFW-CYBMUJFWSA-N 0 3 323.824 2.170 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(CC)c2C)C1 ZINC001034461776 689857819 /nfs/dbraw/zinc/85/78/19/689857819.db2.gz PTMWXJRZXQIZNN-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1ccccc1F ZINC000876567608 689859770 /nfs/dbraw/zinc/85/97/70/689859770.db2.gz CGAFSXACPFLZQU-GFCCVEGCSA-N 0 3 300.761 2.181 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)c(OC)cc1OC ZINC000876685097 689902225 /nfs/dbraw/zinc/90/22/25/689902225.db2.gz XVOVOYGOMAZDNN-SECBINFHSA-N 0 3 302.733 2.251 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000876581567 689864811 /nfs/dbraw/zinc/86/48/11/689864811.db2.gz MUKHWGCWLRTVPJ-YGRLFVJLSA-N 0 3 309.797 2.292 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(COCCOC)c1 ZINC000876591835 689868369 /nfs/dbraw/zinc/86/83/69/689868369.db2.gz AMTYUGHCORMRHY-AWEZNQCLSA-N 0 3 312.797 2.258 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034487900 689870738 /nfs/dbraw/zinc/87/07/38/689870738.db2.gz SRVLWPTYHZQOEJ-HOCLYGCPSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034501271 689875985 /nfs/dbraw/zinc/87/59/85/689875985.db2.gz SHBISFYYOUMLIH-SJORKVTESA-N 0 3 313.445 2.343 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001034521268 689883813 /nfs/dbraw/zinc/88/38/13/689883813.db2.gz DZLRBJOLRIENGW-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000876636909 689884414 /nfs/dbraw/zinc/88/44/14/689884414.db2.gz NABYNFXDPCUTLH-UKRRQHHQSA-N 0 3 308.809 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000876645443 689887077 /nfs/dbraw/zinc/88/70/77/689887077.db2.gz IZUCJVPJNJCNTK-LBPRGKRZSA-N 0 3 307.781 2.004 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC000876657107 689891692 /nfs/dbraw/zinc/89/16/92/689891692.db2.gz XWNVBBCPKHGBMB-GFCCVEGCSA-N 0 3 312.797 2.180 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000876695126 689906098 /nfs/dbraw/zinc/90/60/98/689906098.db2.gz SAPJUPLTDMSCFR-LBPRGKRZSA-N 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C#CCN1CCC[C@H](NCc2cc(C(OC)OC)ccc2F)C1 ZINC000886211001 692024556 /nfs/dbraw/zinc/02/45/56/692024556.db2.gz HDDRJVVJAZZNMX-INIZCTEOSA-N 0 3 320.408 2.304 20 30 DEEDHN COc1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CCC1)C2 ZINC000886280939 692044177 /nfs/dbraw/zinc/04/41/77/692044177.db2.gz OJSSJYOCGXTSFX-MRXNPFEDSA-N 0 3 300.402 2.498 20 30 DEEDHN C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccccc1[O-])C2 ZINC001045915098 692048366 /nfs/dbraw/zinc/04/83/66/692048366.db2.gz HLUMQPVLQNUFLO-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccccc1[O-])C2 ZINC001045915098 692048370 /nfs/dbraw/zinc/04/83/70/692048370.db2.gz HLUMQPVLQNUFLO-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)Cc1ccc(C)o1)C2 ZINC001045929294 692054086 /nfs/dbraw/zinc/05/40/86/692054086.db2.gz CRLCHYZAUQGPMP-IBGZPJMESA-N 0 3 314.429 2.468 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCO[C@H]1CC)C2 ZINC001045953939 692061289 /nfs/dbraw/zinc/06/12/89/692061289.db2.gz NJZOPSHTRRCXIS-AOIWGVFYSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000886356027 692064747 /nfs/dbraw/zinc/06/47/47/692064747.db2.gz SCIRMWTYSJXLSF-GJZGRUSLSA-N 0 3 300.402 2.045 20 30 DEEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000886361467 692067040 /nfs/dbraw/zinc/06/70/40/692067040.db2.gz IXMJVUOGURERBK-ZFWWWQNUSA-N 0 3 313.401 2.317 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1[nH]cnc1C)C2 ZINC001045989787 692070267 /nfs/dbraw/zinc/07/02/67/692070267.db2.gz OSSUTPZYNGAAMO-GOSISDBHSA-N 0 3 314.433 2.060 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCc2cc(F)ccc21)C1CCN(C)CC1 ZINC000886573587 692114009 /nfs/dbraw/zinc/11/40/09/692114009.db2.gz OEWADDZSICHFGC-GOSISDBHSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCN(C(=O)c1cnc(C(C)C)s1)C1CCN(C)CC1 ZINC000886579621 692116939 /nfs/dbraw/zinc/11/69/39/692116939.db2.gz BRFACERMTIOFEJ-UHFFFAOYSA-N 0 3 305.447 2.436 20 30 DEEDHN C#CCN(C(=O)Cc1cccc2cccnc21)C1CCN(C)CC1 ZINC000886585044 692118774 /nfs/dbraw/zinc/11/87/74/692118774.db2.gz DYSCBNPGORBBBD-UHFFFAOYSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN(C(=O)CCOCc1ccccc1)C1CCN(C)CC1 ZINC000886583276 692118854 /nfs/dbraw/zinc/11/88/54/692118854.db2.gz JHSDGUTZCDPEQN-UHFFFAOYSA-N 0 3 314.429 2.149 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001046364790 692166270 /nfs/dbraw/zinc/16/62/70/692166270.db2.gz KSARJOSPLUFAFG-KRWDZBQOSA-N 0 3 302.422 2.068 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001046363722 692166466 /nfs/dbraw/zinc/16/64/66/692166466.db2.gz FQKDCKMBIGNAAK-SFHVURJKSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001046374286 692169842 /nfs/dbraw/zinc/16/98/42/692169842.db2.gz GLLFSIACDSJSFT-SFHVURJKSA-N 0 3 315.417 2.435 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001046377148 692171203 /nfs/dbraw/zinc/17/12/03/692171203.db2.gz FVVWCNCEOASISG-LJQANCHMSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001046384052 692173262 /nfs/dbraw/zinc/17/32/62/692173262.db2.gz WXOSYKHCYULVGC-APWZRJJASA-N 0 3 313.445 2.377 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001046485187 692202460 /nfs/dbraw/zinc/20/24/60/692202460.db2.gz RULHXOBVKACLCU-KBXCAEBGSA-N 0 3 318.392 2.143 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000886837116 692205800 /nfs/dbraw/zinc/20/58/00/692205800.db2.gz BFMFMAKXACMLSM-OWCLPIDISA-N 0 3 319.449 2.218 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001046512176 692208667 /nfs/dbraw/zinc/20/86/67/692208667.db2.gz XLXKZKWERBDDJV-GOSISDBHSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001046706905 692268339 /nfs/dbraw/zinc/26/83/39/692268339.db2.gz MIMJVLGYKROVKB-LIRRHRJNSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001046706641 692268806 /nfs/dbraw/zinc/26/88/06/692268806.db2.gz 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/nfs/dbraw/zinc/30/83/69/692308369.db2.gz XBCMXWJHHUCOIW-SFHVURJKSA-N 0 3 300.402 2.051 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3nccnc3c2)C1 ZINC001046825770 692308471 /nfs/dbraw/zinc/30/84/71/692308471.db2.gz NOXGHFZPKQZLOQ-SFHVURJKSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001046882683 692325340 /nfs/dbraw/zinc/32/53/40/692325340.db2.gz HGMJQXNQRQPPLR-QGZVFWFLSA-N 0 3 315.373 2.304 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)c3ccn(C)c3)C2)CC1 ZINC001047233577 692399136 /nfs/dbraw/zinc/39/91/36/692399136.db2.gz CCMYUZGTFFKKKK-QGZVFWFLSA-N 0 3 313.445 2.223 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)c3ccns3)C2)CC1 ZINC001047242527 692401402 /nfs/dbraw/zinc/40/14/02/692401402.db2.gz UJZRDGQMTKYSBK-OAHLLOKOSA-N 0 3 317.458 2.341 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001047459988 692426332 /nfs/dbraw/zinc/42/63/32/692426332.db2.gz MSVZVPOQNCYHPB-HOTGVXAUSA-N 0 3 306.450 2.036 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001047511370 692431683 /nfs/dbraw/zinc/43/16/83/692431683.db2.gz YUORDWWGQCROGP-HOTGVXAUSA-N 0 3 322.836 2.342 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CN(CCCC3CCC3)C[C@@H]2O)C1 ZINC001047519744 692433356 /nfs/dbraw/zinc/43/33/56/692433356.db2.gz OOJBHXLQJWWYKP-IRXDYDNUSA-N 0 3 320.477 2.427 20 30 DEEDHN C#CCSCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000887724221 692435934 /nfs/dbraw/zinc/43/59/34/692435934.db2.gz BHDPJZUXDOFRQO-UHFFFAOYSA-N 0 3 317.458 2.133 20 30 DEEDHN C[C@H](NCc1ccccc1C#N)[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001047927186 692516257 /nfs/dbraw/zinc/51/62/57/692516257.db2.gz ROTAQPYBFMSVFE-BBRMVZONSA-N 0 3 324.384 2.187 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC001048725117 692685727 /nfs/dbraw/zinc/68/57/27/692685727.db2.gz NRFPPSUCYWNALM-AEGPPILISA-N 0 3 317.820 2.390 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc([C@@H]4C[C@H]4C)o3)C[C@@H]2C1 ZINC001048819290 692703437 /nfs/dbraw/zinc/70/34/37/692703437.db2.gz SCSFQYVWLYGJCD-LVQVYYBASA-N 0 3 312.413 2.430 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3[C@@H](c4ccccc4)C3(C)C)C[C@@H]2C1 ZINC001048823270 692703943 /nfs/dbraw/zinc/70/39/43/692703943.db2.gz AHFQMOODNNLIFX-HCXYKTFWSA-N 0 3 322.452 2.450 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001048867657 692712699 /nfs/dbraw/zinc/71/26/99/692712699.db2.gz RRXCLGXWKFMXEP-KDURUIRLSA-N 0 3 322.452 2.423 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CN(Cc3cncc(C)c3)C[C@H]2C1 ZINC001048978699 692735421 /nfs/dbraw/zinc/73/54/21/692735421.db2.gz JQUVEAQQHYOUGW-CALCHBBNSA-N 0 3 313.445 2.492 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3CC)C[C@@H]2C1 ZINC001049013499 692743849 /nfs/dbraw/zinc/74/38/49/692743849.db2.gz QRVZMKFGHXOIER-KVPLUYHFSA-N 0 3 322.452 2.376 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)C[C@@H]2C1 ZINC001049090716 692760115 /nfs/dbraw/zinc/76/01/15/692760115.db2.gz OCXHPGMCOVUXPB-OAGGEKHMSA-N 0 3 316.470 2.340 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)C=CCC4)C[C@@H]2C1 ZINC001049108033 692765998 /nfs/dbraw/zinc/76/59/98/692765998.db2.gz CZTJLVIRIAWYTL-KDURUIRLSA-N 0 3 306.409 2.283 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3cc(C)oc3C)C[C@@H]2C1 ZINC001049116926 692767777 /nfs/dbraw/zinc/76/77/77/692767777.db2.gz HRMISYKPTIAJIF-BHYGNILZSA-N 0 3 314.429 2.413 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3OC)C[C@@H]2C1 ZINC001049177763 692781065 /nfs/dbraw/zinc/78/10/65/692781065.db2.gz MTJZSXWZMRWASM-IYBDPMFKSA-N 0 3 312.413 2.031 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(Cl)s3)C[C@@H]2C1 ZINC001049200205 692788342 /nfs/dbraw/zinc/78/83/42/692788342.db2.gz CETQJRCXJRIBCB-TXEJJXNPSA-N 0 3 308.834 2.429 20 30 DEEDHN Cc1ncccc1CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C#N ZINC001049384438 692864592 /nfs/dbraw/zinc/86/45/92/692864592.db2.gz WFEBJZJGPKMVGA-RRQGHBQHSA-N 0 3 312.417 2.115 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(C)CCC3(CC2)OCCO3)CC1 ZINC000932141038 694558929 /nfs/dbraw/zinc/55/89/29/694558929.db2.gz NNPCYCUMIFMBPO-UHFFFAOYSA-N 0 3 322.449 2.076 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(c2ccccn2)CC1 ZINC001049475835 692893653 /nfs/dbraw/zinc/89/36/53/692893653.db2.gz VVWGXZUCFYOBFV-JKSUJKDBSA-N 0 3 311.429 2.365 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001049498047 692902946 /nfs/dbraw/zinc/90/29/46/692902946.db2.gz JEKVRTNCDTXCGX-OKZBNKHCSA-N 0 3 324.424 2.079 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn2c(n1)CCCC2 ZINC001049510603 692905397 /nfs/dbraw/zinc/90/53/97/692905397.db2.gz HCWJCHWZJOJACO-HOTGVXAUSA-N 0 3 314.433 2.084 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)[nH]nc1Cl ZINC001049519021 692908594 /nfs/dbraw/zinc/90/85/94/692908594.db2.gz QRDOPFAUCBSLPO-VXGBXAGGSA-N 0 3 308.813 2.236 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)nc1C(F)F ZINC001049524123 692911012 /nfs/dbraw/zinc/91/10/12/692911012.db2.gz OWNZJXOZCVLDNJ-CHWSQXEVSA-N 0 3 324.375 2.223 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc2[nH]ccc21 ZINC001049566601 692923690 /nfs/dbraw/zinc/92/36/90/692923690.db2.gz DASOCGYDIUDWJT-SJORKVTESA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc2[nH]ccc21 ZINC001049566598 692923780 /nfs/dbraw/zinc/92/37/80/692923780.db2.gz DASOCGYDIUDWJT-DLBZAZTESA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001049594501 692935356 /nfs/dbraw/zinc/93/53/56/692935356.db2.gz KOPXYOHNNMRCTN-CVEARBPZSA-N 0 3 315.417 2.215 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001049606978 692939374 /nfs/dbraw/zinc/93/93/74/692939374.db2.gz VVGVOAQFMZKDCX-IXDOHACOSA-N 0 3 318.461 2.280 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001049606977 692939954 /nfs/dbraw/zinc/93/99/54/692939954.db2.gz VVGVOAQFMZKDCX-GVDBMIGSSA-N 0 3 318.461 2.280 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc2[nH]ncc21 ZINC001049630664 692945575 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C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C2CC2)no1 ZINC001049760121 692990188 /nfs/dbraw/zinc/99/01/88/692990188.db2.gz XIMDDBSJZFKSDV-JKSUJKDBSA-N 0 3 313.401 2.254 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)c1cccnc1 ZINC001049761186 692991128 /nfs/dbraw/zinc/99/11/28/692991128.db2.gz GHTILCLIJCJIBX-RYQLBKOJSA-N 0 3 311.429 2.274 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn(C(C)C)n1 ZINC001049770820 692995100 /nfs/dbraw/zinc/99/51/00/692995100.db2.gz XIGMDOVOBASHIO-HOTGVXAUSA-N 0 3 302.422 2.329 20 30 DEEDHN C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1csc(Cl)n1 ZINC001049824947 693013309 /nfs/dbraw/zinc/01/33/09/693013309.db2.gz KVAFTGZITMYOBP-STQMWFEESA-N 0 3 323.849 2.499 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnn(CC2CC2)c1 ZINC001049835782 693016429 /nfs/dbraw/zinc/01/64/29/693016429.db2.gz SAPJJHUIXVTBCC-IRXDYDNUSA-N 0 3 314.433 2.158 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)COc1ccsc1 ZINC001049845930 693019887 /nfs/dbraw/zinc/01/98/87/693019887.db2.gz 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/nfs/dbraw/zinc/19/18/93/693191893.db2.gz BEFVCOYSYZXVDU-RJRFIUFISA-N 0 3 318.808 2.177 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCOc4ccccc43)C2)CC1 ZINC001050701086 693235068 /nfs/dbraw/zinc/23/50/68/693235068.db2.gz SIJDDGVZHJZXMT-QGZVFWFLSA-N 0 3 324.424 2.110 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CC[C@@H]3CCCOC3)C2)CC1 ZINC001050712447 693236710 /nfs/dbraw/zinc/23/67/10/693236710.db2.gz DJFDYAGSDDDSHR-KRWDZBQOSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)C[C@H]3CCCO3)C2)CC1 ZINC001050770665 693247755 /nfs/dbraw/zinc/24/77/55/693247755.db2.gz IQQWIHVBJBQYER-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001051039039 693283302 /nfs/dbraw/zinc/28/33/02/693283302.db2.gz BBYCVFZQFSKGJB-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN N#C[C@H]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000926180253 693410734 /nfs/dbraw/zinc/41/07/34/693410734.db2.gz VHYFOJQPHZVDKG-CZUORRHYSA-N 0 3 314.389 2.115 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C2)CC1 ZINC001052043096 693433617 /nfs/dbraw/zinc/43/36/17/693433617.db2.gz OPZDSORNVYCLAB-DLBZAZTESA-N 0 3 321.509 2.463 20 30 DEEDHN C[C@@H](CC(C)(C)C#N)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000926626279 693481399 /nfs/dbraw/zinc/48/13/99/693481399.db2.gz GYHWVJVMHIVXKT-STQMWFEESA-N 0 3 322.430 2.139 20 30 DEEDHN C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cnn(C)n1 ZINC000926663000 693489119 /nfs/dbraw/zinc/48/91/19/693489119.db2.gz SWUHWJHZFQXFBQ-AWEZNQCLSA-N 0 3 324.432 2.002 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccn(C3CCCC3)n2)CC1 ZINC001052422020 693530423 /nfs/dbraw/zinc/53/04/23/693530423.db2.gz KDSQKQZJKKTYNF-HNNXBMFYSA-N 0 3 314.433 2.216 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccnn2-c2ccccc2)CC1 ZINC001052493387 693547510 /nfs/dbraw/zinc/54/75/10/693547510.db2.gz SLMSVXMUPUSADO-INIZCTEOSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC001052509554 693552784 /nfs/dbraw/zinc/55/27/84/693552784.db2.gz 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ZINC001052983254 693661936 /nfs/dbraw/zinc/66/19/36/693661936.db2.gz HMHFWHUBBKOEMH-KRWDZBQOSA-N 0 3 313.445 2.432 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccccn2)C1 ZINC001053063113 693680581 /nfs/dbraw/zinc/68/05/81/693680581.db2.gz HFZZASOFQDDLPV-WMZOPIPTSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccns2)C1 ZINC001053087856 693686565 /nfs/dbraw/zinc/68/65/65/693686565.db2.gz OTRZMOUVRBORBQ-GJZGRUSLSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)C(C)(C)C ZINC000932462367 694620064 /nfs/dbraw/zinc/62/00/64/694620064.db2.gz WVICYCUYBWXJIK-UHFFFAOYSA-N 0 3 320.458 2.361 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1OC ZINC000932514219 694629508 /nfs/dbraw/zinc/62/95/08/694629508.db2.gz PGLHUXBXHLRWSO-CQSZACIVSA-N 0 3 301.390 2.171 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2sc(CC)nc2C)C1 ZINC001332032584 1149810995 /nfs/dbraw/zinc/81/09/95/1149810995.db2.gz PCRAZDSANVKWNM-YPMHNXCESA-N 0 3 305.447 2.230 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001332678251 1149879187 /nfs/dbraw/zinc/87/91/87/1149879187.db2.gz NRLDAMCTEGZUQS-JKSUJKDBSA-N 0 3 314.445 2.232 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@H]2CCCCO2)C1 ZINC001402504917 1162373263 /nfs/dbraw/zinc/37/32/63/1162373263.db2.gz ADQNFORGYSWCES-MGPQQGTHSA-N 0 3 300.830 2.325 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001343935756 1150785660 /nfs/dbraw/zinc/78/56/60/1150785660.db2.gz FJDXXBLNNAAYOR-ILXRZTDVSA-N 0 3 321.469 2.217 20 30 DEEDHN C=CCCC[C@@H](C(=O)N[C@@H]1COC2(CNC2)C1)c1ccccc1 ZINC001344012044 1150791977 /nfs/dbraw/zinc/79/19/77/1150791977.db2.gz SUDTWBNLSZSIRB-DLBZAZTESA-N 0 3 314.429 2.374 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2ccccc2OC)COC1 ZINC001346239494 1150957399 /nfs/dbraw/zinc/95/73/99/1150957399.db2.gz KXMUCONFHJXLME-GFCCVEGCSA-N 0 3 316.357 2.159 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c[nH]c3cccc(C#N)c23)CC1 ZINC001348792607 1151196466 /nfs/dbraw/zinc/19/64/66/1151196466.db2.gz 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/nfs/dbraw/zinc/28/36/86/1152283686.db2.gz IDZDORRDIOTGTO-KGLIPLIRSA-N 0 3 304.390 2.476 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001358091715 1152361962 /nfs/dbraw/zinc/36/19/62/1152361962.db2.gz RPNRLYKOAHTQFI-QZTJIDSGSA-N 0 3 316.445 2.342 20 30 DEEDHN CC[C@H](F)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001380871147 1152870150 /nfs/dbraw/zinc/87/01/50/1152870150.db2.gz ACCYRRHTIQLENN-ZDUSSCGKSA-N 0 3 309.410 2.496 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001380968045 1152887770 /nfs/dbraw/zinc/88/77/70/1152887770.db2.gz VFSKOGNHFQNETE-AWEZNQCLSA-N 0 3 301.862 2.004 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3nccn3c2)C1 ZINC001381341261 1153010150 /nfs/dbraw/zinc/01/01/50/1153010150.db2.gz RMGBIAMWCQUMDV-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN COCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001381403396 1153042454 /nfs/dbraw/zinc/04/24/54/1153042454.db2.gz HBTVIXSUZWDJOH-NEPJUHHUSA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@H](CNC(=O)CC(F)(F)F)N(C)Cc1cccc(C#N)c1 ZINC001381494441 1153089414 /nfs/dbraw/zinc/08/94/14/1153089414.db2.gz HIQMKBYZAPAVRH-LLVKDONJSA-N 0 3 313.323 2.447 20 30 DEEDHN Cc1nc(C)c(CNCC2(NC(=O)[C@@H](C)C#N)CCCCC2)o1 ZINC001381718070 1153194400 /nfs/dbraw/zinc/19/44/00/1153194400.db2.gz VINCIGXDIPYJKM-LBPRGKRZSA-N 0 3 318.421 2.360 20 30 DEEDHN Cc1noc(C)c1CNCC1(NC(=O)[C@H](C)C#N)CCCCC1 ZINC001381718944 1153194463 /nfs/dbraw/zinc/19/44/63/1153194463.db2.gz YYUUTTIDMKTTDV-GFCCVEGCSA-N 0 3 318.421 2.360 20 30 DEEDHN CN1C[C@H]2CCN(C(=O)c3cccc(SCC#N)c3)[C@@H]2C1 ZINC001363059895 1153203384 /nfs/dbraw/zinc/20/33/84/1153203384.db2.gz UESGSTNGOUFMEY-UKRRQHHQSA-N 0 3 301.415 2.078 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001381762973 1153212473 /nfs/dbraw/zinc/21/24/73/1153212473.db2.gz HWLYAAGMHGHINF-HUUCEWRRSA-N 0 3 315.889 2.440 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3cccnn32)C1 ZINC001402938990 1162556162 /nfs/dbraw/zinc/55/61/62/1162556162.db2.gz JMTCQGOOUQCLDD-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccncc1 ZINC001402950064 1162566393 /nfs/dbraw/zinc/56/63/93/1162566393.db2.gz ITTHKJHQEPVIST-RYUDHWBXSA-N 0 3 314.414 2.311 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c(C)nn(CC)c1Cl ZINC001570218668 1154372283 /nfs/dbraw/zinc/37/22/83/1154372283.db2.gz ZGTGYAPGJZKGFL-UHFFFAOYSA-N 0 3 324.856 2.282 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001388699546 1155070114 /nfs/dbraw/zinc/07/01/14/1155070114.db2.gz KBBDPCNEYZDERR-CFVMTHIKSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1nn(C)cc1C ZINC001389336427 1155313012 /nfs/dbraw/zinc/31/30/12/1155313012.db2.gz CPOAHPWKCJLHQJ-KGLIPLIRSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001389675865 1155393507 /nfs/dbraw/zinc/39/35/07/1155393507.db2.gz NWMFJBWALCIDSP-OCCSQVGLSA-N 0 3 310.829 2.071 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001390335762 1155658049 /nfs/dbraw/zinc/65/80/49/1155658049.db2.gz TZNDDIHKDLLVKE-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CC2(C)C)cc1C#N ZINC001371170601 1155757155 /nfs/dbraw/zinc/75/71/55/1155757155.db2.gz ZKNUWCJGGLAVTA-SWLSCSKDSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1[nH]ccc1C ZINC001390664153 1155831765 /nfs/dbraw/zinc/83/17/65/1155831765.db2.gz KMEVLINLQVOMAO-NSHDSACASA-N 0 3 314.227 2.330 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn(CCC)nc1C ZINC001390695388 1155840584 /nfs/dbraw/zinc/84/05/84/1155840584.db2.gz GNDWQQZZPKAQSW-GFCCVEGCSA-N 0 3 312.845 2.452 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1(c2cccnc2)CC1 ZINC001371820435 1156030250 /nfs/dbraw/zinc/03/02/50/1156030250.db2.gz UKISTVXHLSDAJR-ZDUSSCGKSA-N 0 3 307.825 2.350 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001391104162 1156117626 /nfs/dbraw/zinc/11/76/26/1156117626.db2.gz VPLRSGMYKMQKEC-AWEZNQCLSA-N 0 3 315.889 2.155 20 30 DEEDHN CCN(CCNC(=O)c1ocnc1C)Cc1cccc(C#N)c1 ZINC001372294521 1156345376 /nfs/dbraw/zinc/34/53/76/1156345376.db2.gz INTOOTVXILPIGI-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C[C@H](CNC(=O)c1ccccc1[O-])C[NH2+]Cc1ccccc1C#N ZINC001391870641 1156820476 /nfs/dbraw/zinc/82/04/76/1156820476.db2.gz GDMCWTCPWSIPGQ-AWEZNQCLSA-N 0 3 323.396 2.420 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC001373588209 1157123624 /nfs/dbraw/zinc/12/36/24/1157123624.db2.gz NXSSTRQVMPYSDF-CJNGLKHVSA-N 0 3 308.385 2.085 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)Cn1ccnc1C(C)C)C1CC1 ZINC001392796376 1157421942 /nfs/dbraw/zinc/42/19/42/1157421942.db2.gz LLAKVQCXNHNGNU-CQSZACIVSA-N 0 3 324.856 2.243 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001373880624 1157430609 /nfs/dbraw/zinc/43/06/09/1157430609.db2.gz YVRLDEYZUOTWMC-DIFFPNOSSA-N 0 3 321.371 2.499 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C)cn2ccnc12 ZINC001403394079 1162871881 /nfs/dbraw/zinc/87/18/81/1162871881.db2.gz PXDWVTYDHJWUJC-CYBMUJFWSA-N 0 3 320.824 2.493 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c1 ZINC001374265522 1157781465 /nfs/dbraw/zinc/78/14/65/1157781465.db2.gz BODMOWUYNHDEBK-BMFZPTHFSA-N 0 3 312.417 2.080 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c1 ZINC001374265529 1157782342 /nfs/dbraw/zinc/78/23/42/1157782342.db2.gz BODMOWUYNHDEBK-VNQPRFMTSA-N 0 3 312.417 2.080 20 30 DEEDHN C=C(Cl)CN1CC([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001394248513 1158394913 /nfs/dbraw/zinc/39/49/13/1158394913.db2.gz TVTWNQOOQACEPR-ZDUSSCGKSA-N 0 3 313.873 2.050 20 30 DEEDHN C=C(Cl)CNC[C@H]1CC2(CO1)CCN(C(=O)CC)CC2 ZINC001394361682 1158427657 /nfs/dbraw/zinc/42/76/57/1158427657.db2.gz RFMGVLXJIQJTKH-CYBMUJFWSA-N 0 3 300.830 2.136 20 30 DEEDHN C=C(Br)CNC[C@H](C1CC1)N(C)C(=O)CCCF ZINC001394439751 1158529171 /nfs/dbraw/zinc/52/91/71/1158529171.db2.gz SODVUKABCMEONF-GFCCVEGCSA-N 0 3 321.234 2.471 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001394474250 1158565799 /nfs/dbraw/zinc/56/57/99/1158565799.db2.gz BRUXZGVATOQJAZ-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001375531971 1158804336 /nfs/dbraw/zinc/80/43/36/1158804336.db2.gz VQFQSJAQUQKRHZ-MRVWCRGKSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001394857375 1158815703 /nfs/dbraw/zinc/81/57/03/1158815703.db2.gz HSZALRFRHWFZPU-UHFFFAOYSA-N 0 3 323.824 2.051 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001376018686 1159052652 /nfs/dbraw/zinc/05/26/52/1159052652.db2.gz LTXVRLKIKIBLTM-TZMCWYRMSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C)[nH]n1 ZINC001376018686 1159052659 /nfs/dbraw/zinc/05/26/59/1159052659.db2.gz LTXVRLKIKIBLTM-TZMCWYRMSA-N 0 3 310.829 2.443 20 30 DEEDHN COc1cccc(CN2CCC(N(C)C(=O)[C@H](C)C#N)CC2)c1 ZINC001376019074 1159053023 /nfs/dbraw/zinc/05/30/23/1159053023.db2.gz XCPYAKFBTXRXLP-CQSZACIVSA-N 0 3 315.417 2.278 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376513811 1159493644 /nfs/dbraw/zinc/49/36/44/1159493644.db2.gz WCLJTFNCECZIEH-CQSZACIVSA-N 0 3 313.873 2.051 20 30 DEEDHN Cc1ccc(F)c(CNC2(CNC(=O)[C@@H](C)C#N)CCC2)c1 ZINC001376722329 1159723957 /nfs/dbraw/zinc/72/39/57/1159723957.db2.gz PAXKMCNZXRRYTN-ZDUSSCGKSA-N 0 3 303.381 2.422 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001377079643 1159893446 /nfs/dbraw/zinc/89/34/46/1159893446.db2.gz FURKYEHVKYOEEU-QWRGUYRKSA-N 0 3 312.845 2.367 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@H](C)SC)CCOCC1 ZINC001377191574 1160022376 /nfs/dbraw/zinc/02/23/76/1160022376.db2.gz SKWDPNOWWCVISP-LBPRGKRZSA-N 0 3 320.886 2.136 20 30 DEEDHN C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cn1cncc1C ZINC001397164248 1160027460 /nfs/dbraw/zinc/02/74/60/1160027460.db2.gz ACXAWRFCCLGZPL-DOMZBBRYSA-N 0 3 324.856 2.161 20 30 DEEDHN CCN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1cccc(C)c1 ZINC001377298843 1160164171 /nfs/dbraw/zinc/16/41/71/1160164171.db2.gz HEHJRKPOYLRSOV-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001377325429 1160219945 /nfs/dbraw/zinc/21/99/45/1160219945.db2.gz IOBNBDMEIBKWMC-CQSZACIVSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(OCC)nc1 ZINC001377446766 1160374197 /nfs/dbraw/zinc/37/41/97/1160374197.db2.gz OSKWMGLPSMDBQW-LBPRGKRZSA-N 0 3 311.813 2.331 20 30 DEEDHN C[C@@H](NCC=C(Cl)Cl)[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001377777618 1160819575 /nfs/dbraw/zinc/81/95/75/1160819575.db2.gz DPAZTKZDOJSIRB-RKDXNWHRSA-N 0 3 315.204 2.302 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)c1 ZINC001378019334 1160925181 /nfs/dbraw/zinc/92/51/81/1160925181.db2.gz JGORNPFIRWQCRM-JKSUJKDBSA-N 0 3 317.433 2.278 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001398925997 1161154361 /nfs/dbraw/zinc/15/43/61/1161154361.db2.gz ONWJKNVGDHSKDJ-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN CO[C@@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)C1CCC1 ZINC001399028870 1161195782 /nfs/dbraw/zinc/19/57/82/1161195782.db2.gz KPQPVRKDUTXBEG-XHDPSFHLSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(C)nn1CC)C1CC1 ZINC001401002118 1161858569 /nfs/dbraw/zinc/85/85/69/1161858569.db2.gz FEMHQYYEJBMHPX-INIZCTEOSA-N 0 3 324.856 2.452 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(CF)CCC1 ZINC001401704093 1162083924 /nfs/dbraw/zinc/08/39/24/1162083924.db2.gz XKRLNFXEWVKJDH-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NCc1cccc(OC)c1Cl ZINC001405216970 1164017131 /nfs/dbraw/zinc/01/71/31/1164017131.db2.gz REUACONFZNZMKB-YPMHNXCESA-N 0 3 323.824 2.493 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@H]1CC12CC2 ZINC001405693255 1164189106 /nfs/dbraw/zinc/18/91/06/1164189106.db2.gz LGWGDHQKXLOMRH-BLLLJJGKSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@H](C)n1cccn1)C(C)C ZINC001406081360 1164431968 /nfs/dbraw/zinc/43/19/68/1164431968.db2.gz VKMGBNJNOXKTBJ-ZIAGYGMSSA-N 0 3 312.845 2.317 20 30 DEEDHN CC(C)CO[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001406465766 1164623230 /nfs/dbraw/zinc/62/32/30/1164623230.db2.gz OMCVNHVRNFZNOD-STQMWFEESA-N 0 3 323.462 2.275 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(CF)CCC1 ZINC001406532372 1164660778 /nfs/dbraw/zinc/66/07/78/1164660778.db2.gz XMUHOXWTDPNASP-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)C1CCC1 ZINC001406574339 1164684961 /nfs/dbraw/zinc/68/49/61/1164684961.db2.gz DIXZTVHQTYWNNU-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN CCc1ncoc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001406948455 1164890224 /nfs/dbraw/zinc/89/02/24/1164890224.db2.gz AKHUQQVVNJHFLP-UHFFFAOYSA-N 0 3 324.384 2.161 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(CC3CCCCC3)C2)O1 ZINC001407957854 1165410660 /nfs/dbraw/zinc/41/06/60/1165410660.db2.gz AOFZFHNFBRFRNS-HOCLYGCPSA-N 0 3 319.449 2.076 20 30 DEEDHN CCCc1nc(C)c(CNCC2CC(NC(=O)[C@H](C)C#N)C2)o1 ZINC001408355268 1165610821 /nfs/dbraw/zinc/61/08/21/1165610821.db2.gz VFURNSKGFUJSIU-LMWSTFAQSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001417962204 1167330759 /nfs/dbraw/zinc/33/07/59/1167330759.db2.gz YVSQXHUAUWJYRU-CQSZACIVSA-N 0 3 313.873 2.050 20 30 DEEDHN C[C@H](CNC(=O)C1(C2CC2)CC1)NCc1ccc(F)c(C#N)c1 ZINC001418236086 1167509505 /nfs/dbraw/zinc/50/95/05/1167509505.db2.gz KZDMQFGFUZRPQR-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN N#Cc1ccc(F)c(CNC2CC(CNC(=O)CC3CC3)C2)c1 ZINC001418845315 1168004694 /nfs/dbraw/zinc/00/46/94/1168004694.db2.gz HSAMBGLUOWAOBT-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1C ZINC001419074045 1168180129 /nfs/dbraw/zinc/18/01/29/1168180129.db2.gz BGAHZFVDSGINKN-ZFWWWQNUSA-N 0 3 324.856 2.303 20 30 DEEDHN CCC(=O)N[C@](C)(CNCc1ccc(C#N)cc1F)C1CC1 ZINC001419313218 1168392226 /nfs/dbraw/zinc/39/22/26/1168392226.db2.gz COBUJZCQJRYNCB-QGZVFWFLSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1nsc(C)c1CN1CCC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001419535036 1168579482 /nfs/dbraw/zinc/57/94/82/1168579482.db2.gz GFYCCUNMGKPZCK-FZMZJTMJSA-N 0 3 320.462 2.248 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccco1)NCc1ccc(C#N)s1 ZINC001419886833 1168892154 /nfs/dbraw/zinc/89/21/54/1168892154.db2.gz KOXBANLRMFQPDD-NSHDSACASA-N 0 3 303.387 2.050 20 30 DEEDHN Cc1coc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)c1 ZINC001420462484 1169594249 /nfs/dbraw/zinc/59/42/49/1169594249.db2.gz HTZYTQQBUMOVEN-NSHDSACASA-N 0 3 303.387 2.429 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)NC(=O)[C@H]1C[C@@H]1C ZINC001420624378 1169834565 /nfs/dbraw/zinc/83/45/65/1169834565.db2.gz JZKWJEWVJQMZEA-ZQIUZPCESA-N 0 3 315.417 2.181 20 30 DEEDHN Cc1cnc([C@H](C)NCC2(NC(=O)[C@@H](C)C#N)CCCC2)cn1 ZINC001421505978 1171826298 /nfs/dbraw/zinc/82/62/98/1171826298.db2.gz KMZLVJCRAANWLO-JSGCOSHPSA-N 0 3 315.421 2.024 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cc(CC)on1)C1CC1 ZINC001421558140 1171846962 /nfs/dbraw/zinc/84/69/62/1171846962.db2.gz AWPRXTWYAIBDIT-HNNXBMFYSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)Cn2ccnc2)CCCC[C@H]1C ZINC001421574273 1171854315 /nfs/dbraw/zinc/85/43/15/1171854315.db2.gz JPHPUUJAVWLYHT-CJNGLKHVSA-N 0 3 324.856 2.290 20 30 DEEDHN CC[C@@H](F)CNC[C@H](CC(C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC001422009321 1172228681 /nfs/dbraw/zinc/22/86/81/1172228681.db2.gz YJIMJAZTOJLFBX-OCCSQVGLSA-N 0 3 308.401 2.369 20 30 DEEDHN C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)NCc1cc(C#N)ccc1F ZINC001422154362 1172352372 /nfs/dbraw/zinc/35/23/72/1172352372.db2.gz UIYBDEPAWUBBDF-HUBLWGQQSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001422278108 1172454790 /nfs/dbraw/zinc/45/47/90/1172454790.db2.gz OSXYRZQLMFPGIT-UHFFFAOYSA-N 0 3 320.824 2.205 20 30 DEEDHN C[C@@H]([N-]C(=O)C(C)(F)F)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001422292913 1172461069 /nfs/dbraw/zinc/46/10/69/1172461069.db2.gz GJBAOOVHLSCLOB-RKDXNWHRSA-N 0 3 301.362 2.258 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)CC1(C)CC1 ZINC001422534213 1172683045 /nfs/dbraw/zinc/68/30/45/1172683045.db2.gz YTYCUZRKHMRPGI-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@@H](CNC(=O)c1nccs1)N(C)Cc1ccc(C#N)cc1 ZINC001422570763 1172718651 /nfs/dbraw/zinc/71/86/51/1172718651.db2.gz LCAAHHZXQSBBRM-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001422902833 1172909865 /nfs/dbraw/zinc/90/98/65/1172909865.db2.gz AHRQVPGBZWKQKK-HDJSIYSDSA-N 0 3 309.841 2.492 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001423487455 1173370407 /nfs/dbraw/zinc/37/04/07/1173370407.db2.gz VZTZBMBPSXGUEL-AWEZNQCLSA-N 0 3 324.856 2.340 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCC2(C#N)CCOCC2)C1 ZINC001423490612 1173371588 /nfs/dbraw/zinc/37/15/88/1173371588.db2.gz KQNLOJNFVBKVAU-OKILXGFUSA-N 0 3 323.437 2.200 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]1(C)CCN(CCCc2ccsc2)C1 ZINC001423573733 1173419656 /nfs/dbraw/zinc/41/96/56/1173419656.db2.gz VVICKDIURBRZGQ-CJNGLKHVSA-N 0 3 305.447 2.421 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)C(C)(C)F ZINC001424743241 1173894582 /nfs/dbraw/zinc/89/45/82/1173894582.db2.gz ABACSTQMLKWLJP-GHMZBOCLSA-N 0 3 309.360 2.428 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CCCCO1)N(C)Cc1cccc(C#N)c1 ZINC001424931248 1174038995 /nfs/dbraw/zinc/03/89/95/1174038995.db2.gz NWNPNQSHQVLLDP-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001425401056 1174306703 /nfs/dbraw/zinc/30/67/03/1174306703.db2.gz DIDATHWWIODDEH-SRVKXCTJSA-N 0 3 321.234 2.374 20 30 DEEDHN CCOCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001436433170 1179093485 /nfs/dbraw/zinc/09/34/85/1179093485.db2.gz AASOMGWMZLMSIX-DLBZAZTESA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001436694244 1179194278 /nfs/dbraw/zinc/19/42/78/1179194278.db2.gz KZIGCOIXUCAZCH-CQSZACIVSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001437036495 1179366506 /nfs/dbraw/zinc/36/65/06/1179366506.db2.gz PCVSJWLOCBOGGY-HNNXBMFYSA-N 0 3 313.873 2.194 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H](C)NCc1cc(Cl)cc2c1OCC2 ZINC001437129056 1179457261 /nfs/dbraw/zinc/45/72/61/1179457261.db2.gz SRUMIQHXKOQYNG-MNOVXSKESA-N 0 3 321.808 2.029 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)C2CC(C)C2)cc1C#N ZINC001437130589 1179458688 /nfs/dbraw/zinc/45/86/88/1179458688.db2.gz XHIIRGYWDJQAHP-OWYJLGKBSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2ccccn21 ZINC001437390782 1179778805 /nfs/dbraw/zinc/77/88/05/1179778805.db2.gz UNSIFHKTBNNMFY-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001438344998 1180359184 /nfs/dbraw/zinc/35/91/84/1180359184.db2.gz NDZZBCVUXCDATP-LSDHHAIUSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2cnn(C)c2)CCCC1 ZINC001438396650 1180391662 /nfs/dbraw/zinc/39/16/62/1180391662.db2.gz KYAPBJDFIOWSJR-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cnon2)CCCC[C@H]1C ZINC001438431334 1180417423 /nfs/dbraw/zinc/41/74/23/1180417423.db2.gz IONQFMAOQZIWQL-YGRLFVJLSA-N 0 3 312.801 2.090 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cnc1C ZINC001438772286 1180809240 /nfs/dbraw/zinc/80/92/40/1180809240.db2.gz LOVGQOBSTLRXEV-IAQYHMDHSA-N 0 3 324.856 2.230 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001439097555 1180882841 /nfs/dbraw/zinc/88/28/41/1180882841.db2.gz APJAKOTVLSBRPM-VXGBXAGGSA-N 0 3 323.437 2.291 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@H]1CCOC1 ZINC001439201563 1180934527 /nfs/dbraw/zinc/93/45/27/1180934527.db2.gz QPMIXCHNGZCKSR-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001439594366 1181160336 /nfs/dbraw/zinc/16/03/36/1181160336.db2.gz BMSKWFBELQQQHI-MEBBXXQBSA-N 0 3 319.355 2.350 20 30 DEEDHN CCC1(NCc2cc(C)on2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001440522358 1181578615 /nfs/dbraw/zinc/57/86/15/1181578615.db2.gz OYPXTZKJMJIKHA-LBPRGKRZSA-N 0 3 304.394 2.004 20 30 DEEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@H](C)NC(=O)C(C)(F)F ZINC001440775687 1181684841 /nfs/dbraw/zinc/68/48/41/1181684841.db2.gz SIKYKMDGYHTPND-ZJUUUORDSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@@H](NC(=O)c1ccc[nH]1)[C@H](C)NCc1ccc(C#N)s1 ZINC001440788918 1181692960 /nfs/dbraw/zinc/69/29/60/1181692960.db2.gz QEBAMFQSHWGAHF-WDEREUQCSA-N 0 3 302.403 2.244 20 30 DEEDHN Cc1nc(C)c(CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001440869920 1181736802 /nfs/dbraw/zinc/73/68/02/1181736802.db2.gz DWLFPHZBWQQEJS-NSHDSACASA-N 0 3 306.410 2.025 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccn1)N(C)Cc1cccc(C#N)c1 ZINC001440893535 1181746690 /nfs/dbraw/zinc/74/66/90/1181746690.db2.gz CRTRFZHMRIQRJI-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440901704 1181752827 /nfs/dbraw/zinc/75/28/27/1181752827.db2.gz PVIDQIGMUAFJNZ-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001440990683 1181815125 /nfs/dbraw/zinc/81/51/25/1181815125.db2.gz IJHLBTBVADSPCZ-JSGCOSHPSA-N 0 3 310.829 2.064 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H](CNC(=O)[C@@H](C)C#N)C1CC1 ZINC001441175490 1181883897 /nfs/dbraw/zinc/88/38/97/1181883897.db2.gz NMKUAVJCVSRSLY-BBRMVZONSA-N 0 3 315.417 2.148 20 30 DEEDHN C=C(Cl)CNC[C@H]1CC2(CO1)CCN(C(=O)C(C)C)CC2 ZINC001441340050 1181949030 /nfs/dbraw/zinc/94/90/30/1181949030.db2.gz WXUPDUFPBNNHRX-CQSZACIVSA-N 0 3 314.857 2.382 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccccn1)NCc1ccc(C#N)s1 ZINC001441481558 1182015290 /nfs/dbraw/zinc/01/52/90/1182015290.db2.gz WMMLUTXVOWPVBG-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441489595 1182020785 /nfs/dbraw/zinc/02/07/85/1182020785.db2.gz CSPXOLAKROZXIJ-QWHCGFSZSA-N 0 3 321.396 2.059 20 30 DEEDHN Cc1ncoc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001442236491 1182384183 /nfs/dbraw/zinc/38/41/83/1182384183.db2.gz GDQOBYGXLAIKTF-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN CCO[C@H](C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001442236955 1182384191 /nfs/dbraw/zinc/38/41/91/1182384191.db2.gz NGZLQMYMOWAELH-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)NCc1ccc(C#N)c(F)c1 ZINC001443970808 1183232847 /nfs/dbraw/zinc/23/28/47/1183232847.db2.gz UWGZKFKCJNGIDU-KCPJHIHWSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H](CC)CNC(=O)Cn1ccnc1C(C)C ZINC001444006742 1183251918 /nfs/dbraw/zinc/25/19/18/1183251918.db2.gz OAOUMMHPOCVDRX-CYBMUJFWSA-N 0 3 312.845 2.243 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)n2cccn2)CCCC1 ZINC001444035984 1183265670 /nfs/dbraw/zinc/26/56/70/1183265670.db2.gz GRQUMZMBHJZNQU-CYBMUJFWSA-N 0 3 310.829 2.215 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCCO1 ZINC001445343000 1183839480 /nfs/dbraw/zinc/83/94/80/1183839480.db2.gz HAIVGAVSHNWTKY-OLZOCXBDSA-N 0 3 321.446 2.173 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001445644963 1183951450 /nfs/dbraw/zinc/95/14/50/1183951450.db2.gz XKIHMWMJDVKSSH-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001445936243 1184137458 /nfs/dbraw/zinc/13/74/58/1184137458.db2.gz KTURIWICHUNKHW-BONVTDFDSA-N 0 3 307.344 2.109 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)Cc3ccco3)CC2)cc1 ZINC001446258583 1184288077 /nfs/dbraw/zinc/28/80/77/1184288077.db2.gz NWMFFBCMAGIKAO-UHFFFAOYSA-N 0 3 309.369 2.132 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001447366332 1184746851 /nfs/dbraw/zinc/74/68/51/1184746851.db2.gz SKFLOCKYWQIAKP-UHFFFAOYSA-N 0 3 315.889 2.251 20 30 DEEDHN CO[C@@H](C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1)C(C)C ZINC001448085663 1185065593 /nfs/dbraw/zinc/06/55/93/1185065593.db2.gz MQEVZNCSUWUTSO-RHSMWYFYSA-N 0 3 317.433 2.166 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnc2[nH]c(CC)nc21 ZINC001448875665 1185444835 /nfs/dbraw/zinc/44/48/35/1185444835.db2.gz WNACMODXOLNIIV-UHFFFAOYSA-N 0 3 315.421 2.100 20 30 DEEDHN C=C(CC)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001347593279 1151081600 /nfs/dbraw/zinc/08/16/00/1151081600.db2.gz VBGVOVGNRSZCRQ-UHFFFAOYSA-N 0 3 301.434 2.016 20 30 DEEDHN CCC1(C(=O)N[C@@H](C)CNCc2ccc(F)c(C#N)c2)CC1 ZINC001406514053 1164649790 /nfs/dbraw/zinc/64/97/90/1164649790.db2.gz QFEMGQVXILCMGH-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001332106140 1149820106 /nfs/dbraw/zinc/82/01/06/1149820106.db2.gz OIOFCUOFJYPMLL-LOWVWBTDSA-N 0 3 303.328 2.199 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2cnns2)C1 ZINC001332292568 1149845141 /nfs/dbraw/zinc/84/51/41/1149845141.db2.gz MUBRRFYPIKILMH-NWDGAFQWSA-N 0 3 308.451 2.125 20 30 DEEDHN Cc1ncc(CN2CCC(C)(CNC(=O)[C@@H](C)C#N)CC2)s1 ZINC001407254486 1165069177 /nfs/dbraw/zinc/06/91/77/1165069177.db2.gz BCMUNLQHKKLEPH-LBPRGKRZSA-N 0 3 320.462 2.330 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)CCc1ccc(C)cc1C ZINC001332646239 1149876159 /nfs/dbraw/zinc/87/61/59/1149876159.db2.gz FACZJUVBHQSRBV-SFHVURJKSA-N 0 3 318.461 2.173 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(CCC)cc1 ZINC001332663019 1149877664 /nfs/dbraw/zinc/87/76/64/1149877664.db2.gz JLSLFJSKPYVNOT-KRWDZBQOSA-N 0 3 304.434 2.190 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001332677492 1149878879 /nfs/dbraw/zinc/87/88/79/1149878879.db2.gz JYJHUHGJKHOMMZ-WCWCZOKXSA-N 0 3 320.477 2.140 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCc2cc(C)on2)CC1 ZINC001332959521 1149935749 /nfs/dbraw/zinc/93/57/49/1149935749.db2.gz AXBVQPGTDOBUSZ-OAHLLOKOSA-N 0 3 317.433 2.156 20 30 DEEDHN CC(C)C#CC(=O)N(C)C1CC(NCc2cccc(Cl)n2)C1 ZINC001333061572 1149976552 /nfs/dbraw/zinc/97/65/52/1149976552.db2.gz OMGMDIKUBVZXCW-UHFFFAOYSA-N 0 3 319.836 2.473 20 30 DEEDHN CC1(C)CCN(S(=O)(=O)c2ccc(C#N)cc2)CC(C)(C)N1 ZINC001414380838 1165814780 /nfs/dbraw/zinc/81/47/80/1165814780.db2.gz PEICQNWMDLZGTR-UHFFFAOYSA-N 0 3 321.446 2.099 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2CC)CC(C)(C)C1 ZINC001089343060 782880391 /nfs/dbraw/zinc/88/03/91/782880391.db2.gz CGJWRNKWAFVDAP-CQSZACIVSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(F)cn2)CC(C)(C)C1 ZINC001089421303 783087697 /nfs/dbraw/zinc/08/76/97/783087697.db2.gz SNVKVNQUQAIWEV-INIZCTEOSA-N 0 3 317.408 2.003 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cncn2-c2ccccc2)C[C@@H]1C ZINC000947392238 783124597 /nfs/dbraw/zinc/12/45/97/783124597.db2.gz VASUSQPOPZBYDO-HOTGVXAUSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)CC(C)(C)C1 ZINC001089473443 783143568 /nfs/dbraw/zinc/14/35/68/783143568.db2.gz XRGGBLKUXYPPBW-MRXNPFEDSA-N 0 3 324.428 2.417 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)C[C@@H]1C ZINC000947468473 783145340 /nfs/dbraw/zinc/14/53/40/783145340.db2.gz KIYFYXNYPZKJMP-GJZGRUSLSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2COC)C[C@H]1C ZINC000947492317 783152331 /nfs/dbraw/zinc/15/23/31/783152331.db2.gz IYBWEFCHJXLARL-GDBMZVCRSA-N 0 3 300.402 2.049 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C[C@H]1C ZINC000947538109 783163339 /nfs/dbraw/zinc/16/33/39/783163339.db2.gz VCLOXORSLKPLOX-CJNGLKHVSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2coc(C3CC3)n2)CC(C)(C)C1 ZINC001089510715 783174534 /nfs/dbraw/zinc/17/45/34/783174534.db2.gz DNDCNGRRKRINQE-CQSZACIVSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(OC)cs2)C[C@@H]1C ZINC000947606823 783187617 /nfs/dbraw/zinc/18/76/17/783187617.db2.gz GHKNRLYSTCFAEY-QWHCGFSZSA-N 0 3 306.431 2.363 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(CC)on2)CC(C)(C)C1 ZINC001089544806 783197128 /nfs/dbraw/zinc/19/71/28/783197128.db2.gz ZEIQLCFTPJUTEI-CYBMUJFWSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C[C@H]1C ZINC000947734825 783216562 /nfs/dbraw/zinc/21/65/62/783216562.db2.gz GRJZFWZWHAWADO-TZMCWYRMSA-N 0 3 304.365 2.050 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c(C)c2Cl)C[C@@H]1C ZINC000947761288 783226560 /nfs/dbraw/zinc/22/65/60/783226560.db2.gz ITHKRKBMDYYRGC-JQWIXIFHSA-N 0 3 310.829 2.151 20 30 DEEDHN C=Cc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)C[C@H]2O)cc1 ZINC001090587077 790372190 /nfs/dbraw/zinc/37/21/90/790372190.db2.gz 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318.396 2.050 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](n2cc(CNCC(C)C)nn2)C1 ZINC001098680396 778902899 /nfs/dbraw/zinc/90/28/99/778902899.db2.gz GFPWWVJMJIGSDK-INIZCTEOSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)n3c(C)ccc3C)C2)C1 ZINC001073457476 790668062 /nfs/dbraw/zinc/66/80/62/790668062.db2.gz RZBXJXISYJKPPX-MRXNPFEDSA-N 0 3 301.434 2.386 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001211857669 779202025 /nfs/dbraw/zinc/20/20/25/779202025.db2.gz ZWQZRSBNLOQVNV-NVXWUHKLSA-N 0 3 319.449 2.201 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C(F)(F)F ZINC001112155869 779242260 /nfs/dbraw/zinc/24/22/60/779242260.db2.gz OJBNQKILFUOZHA-VXGBXAGGSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C(F)F)ncn2)[C@H]1CC ZINC001087623804 779382454 /nfs/dbraw/zinc/38/24/54/779382454.db2.gz XGWLQYTTYGTMRG-SMDDNHRTSA-N 0 3 322.359 2.020 20 30 DEEDHN C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1CC ZINC001087695144 779413085 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C#CCCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1C ZINC001088834981 781347735 /nfs/dbraw/zinc/34/77/35/781347735.db2.gz YQIFAUVVOQQKJC-PBHICJAKSA-N 0 3 307.397 2.451 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2CCN(CCn3cccn3)[C@@H]2C)CC1 ZINC001088835826 781374018 /nfs/dbraw/zinc/37/40/18/781374018.db2.gz QIDZDVZDGACKJY-WBVHZDCISA-N 0 3 316.449 2.209 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001076797667 781388719 /nfs/dbraw/zinc/38/87/19/781388719.db2.gz SYSNXWZFIVLULP-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001077048803 781463207 /nfs/dbraw/zinc/46/32/07/781463207.db2.gz JSZZMUQIKXUQHW-BRWVUGGUSA-N 0 3 306.450 2.250 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC001126960056 781483679 /nfs/dbraw/zinc/48/36/79/781483679.db2.gz MQWGXHHVWHMTNP-CVEARBPZSA-N 0 3 303.381 2.292 20 30 DEEDHN N=C(Nc1ncnc2c1CNCC2)c1ccc2cc(O)ccc2c1 ZINC001171177494 790895375 /nfs/dbraw/zinc/89/53/75/790895375.db2.gz 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/nfs/dbraw/zinc/28/43/86/783284386.db2.gz AXEICFIMOSVNTH-CYBMUJFWSA-N 0 3 303.406 2.194 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C ZINC000947988930 783285520 /nfs/dbraw/zinc/28/55/20/783285520.db2.gz GKSOISQMWJFBKY-PBHICJAKSA-N 0 3 324.428 2.098 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccccc2OC)C[C@@H]1C ZINC000948005938 783291583 /nfs/dbraw/zinc/29/15/83/783291583.db2.gz AROHHFIVWBEFKF-DOTOQJQBSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(COC)cc2)C[C@H]1C ZINC000948027394 783296933 /nfs/dbraw/zinc/29/69/33/783296933.db2.gz WROANJYNWYZEBK-RHSMWYFYSA-N 0 3 300.402 2.049 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001060755794 783341124 /nfs/dbraw/zinc/34/11/24/783341124.db2.gz PXIXXKPKFASELD-BZUAXINKSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H]2CCC(C)(C)CN2CCO)CC1 ZINC001089687303 783354155 /nfs/dbraw/zinc/35/41/55/783354155.db2.gz IEYOXLFSFWBOFW-MRXNPFEDSA-N 0 3 308.466 2.332 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1conc1C ZINC001089689095 783356801 /nfs/dbraw/zinc/35/68/01/783356801.db2.gz AGQJBEBDEDRRKQ-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1oncc1C ZINC001089718664 783381125 /nfs/dbraw/zinc/38/11/25/783381125.db2.gz SMAQALWZVSUNFI-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1nocc1C ZINC001089722273 783386653 /nfs/dbraw/zinc/38/66/53/783386653.db2.gz VKBMRZYOWCRYOI-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ncoc2CC)CC1 ZINC000948257501 783397461 /nfs/dbraw/zinc/39/74/61/783397461.db2.gz QVKHGWFEHFFUIF-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCOCC2)CC1 ZINC000948329467 783429357 /nfs/dbraw/zinc/42/93/57/783429357.db2.gz FGORNJSODLLSTC-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2ccc(F)cc2F)CC1 ZINC000948386110 783449391 /nfs/dbraw/zinc/44/93/91/783449391.db2.gz SQMDMRFWUZSNEO-MRXNPFEDSA-N 0 3 320.383 2.453 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCC2CC2)C[C@H]1OC ZINC001212337651 783467489 /nfs/dbraw/zinc/46/74/89/783467489.db2.gz ZGDLWPXZCKQRLQ-ZIAGYGMSSA-N 0 3 314.857 2.381 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000948566373 783504955 /nfs/dbraw/zinc/50/49/55/783504955.db2.gz NHFXFFKAPPSLHW-INIZCTEOSA-N 0 3 316.449 2.198 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2c(C)nsc2C)C1 ZINC001073904413 790947754 /nfs/dbraw/zinc/94/77/54/790947754.db2.gz DHQAQEVLJYEZPH-CQSZACIVSA-N 0 3 323.462 2.157 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc(COC)c2)CC1 ZINC000948589391 783513678 /nfs/dbraw/zinc/51/36/78/783513678.db2.gz AROQQGNILRHIHV-GOSISDBHSA-N 0 3 314.429 2.393 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccccc2C2(C)CC2)[C@@H](O)C1 ZINC001083771659 783550923 /nfs/dbraw/zinc/55/09/23/783550923.db2.gz JDRTUKJFWKPNIG-SJORKVTESA-N 0 3 314.429 2.089 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001085231786 783594875 /nfs/dbraw/zinc/59/48/75/783594875.db2.gz SUEVETSJFHVKDR-AAVRWANBSA-N 0 3 322.840 2.283 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1CC ZINC001085257532 783608932 /nfs/dbraw/zinc/60/89/32/783608932.db2.gz KNJBUVYQASJMOU-ZIAGYGMSSA-N 0 3 324.856 2.366 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2c(F)cncc2F)C1 ZINC000966385443 783649470 /nfs/dbraw/zinc/64/94/70/783649470.db2.gz JCFNKRLSXIBAND-FZMZJTMJSA-N 0 3 309.360 2.376 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000966722311 783741669 /nfs/dbraw/zinc/74/16/69/783741669.db2.gz LOLJEGOVFMBTJV-BLLLJJGKSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC000966904976 783811843 /nfs/dbraw/zinc/81/18/43/783811843.db2.gz WFHGULREPOSQFC-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ncc(F)cc2F)C1 ZINC000966908645 783815685 /nfs/dbraw/zinc/81/56/85/783815685.db2.gz UCLBNWRZVZHVNB-RISCZKNCSA-N 0 3 309.360 2.376 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnc(CC(C)C)[nH]1 ZINC001085595565 783863969 /nfs/dbraw/zinc/86/39/69/783863969.db2.gz IGPPJZPTJAPSSE-CQSZACIVSA-N 0 3 304.438 2.331 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC(=C)C ZINC001085601292 783867361 /nfs/dbraw/zinc/86/73/61/783867361.db2.gz SQCJKASECUREHP-BBWFWOEESA-N 0 3 306.450 2.467 20 30 DEEDHN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC000967090406 783881300 /nfs/dbraw/zinc/88/13/00/783881300.db2.gz TYSJRWMITIOIJU-KSSFIOAISA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC000967264158 783914845 /nfs/dbraw/zinc/91/48/45/783914845.db2.gz HHKDFWWRNKQRRI-RHSMWYFYSA-N 0 3 312.417 2.351 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000967271968 783920328 /nfs/dbraw/zinc/92/03/28/783920328.db2.gz BRRPKSMNDYIJJF-BXUZGUMPSA-N 0 3 321.421 2.139 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000967285522 783931089 /nfs/dbraw/zinc/93/10/89/783931089.db2.gz 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ZINC001085739080 784026064 /nfs/dbraw/zinc/02/60/64/784026064.db2.gz CTGCGFBFYDQTDE-BZUAXINKSA-N 0 3 316.449 2.023 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C[C@@H](CC)OC)cc1 ZINC001085757505 784048454 /nfs/dbraw/zinc/04/84/54/784048454.db2.gz ISXUJTAAJAUWJN-QZTJIDSGSA-N 0 3 314.429 2.239 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C[C@@H](CC)OC)cc1 ZINC001085757507 784048589 /nfs/dbraw/zinc/04/85/89/784048589.db2.gz ISXUJTAAJAUWJN-ZWKOTPCHSA-N 0 3 314.429 2.239 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(OC)c1 ZINC001085786253 784077152 /nfs/dbraw/zinc/07/71/52/784077152.db2.gz JXMVCBIKTYRAEC-OAHLLOKOSA-N 0 3 303.406 2.121 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)/C=C/C(=O)c1ccccc1 ZINC001144707952 791003910 /nfs/dbraw/zinc/00/39/10/791003910.db2.gz OSBHOZMAQKYPPP-CMDGGOBGSA-N 0 3 300.402 2.226 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000968110395 784229771 /nfs/dbraw/zinc/22/97/71/784229771.db2.gz XBQFLQNNYXQAFC-SUMWQHHRSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952704 784248314 /nfs/dbraw/zinc/24/83/14/784248314.db2.gz JKSCIQWENRUYJL-HNNXBMFYSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986582 784283185 /nfs/dbraw/zinc/28/31/85/784283185.db2.gz IBLIVDPWOAXONE-MRXNPFEDSA-N 0 3 301.434 2.081 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085985346 784287522 /nfs/dbraw/zinc/28/75/22/784287522.db2.gz ZTMNNXRWXYAISQ-SFHVURJKSA-N 0 3 315.461 2.471 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)CN(C)CCC)CC1 ZINC001066357983 784303557 /nfs/dbraw/zinc/30/35/57/784303557.db2.gz AOPFJSZICWILBL-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnnc3ccccc32)C1 ZINC000968357635 784319665 /nfs/dbraw/zinc/31/96/65/784319665.db2.gz QHFGPRVSUKZTLR-KDOFPFPSSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001086071604 784383074 /nfs/dbraw/zinc/38/30/74/784383074.db2.gz 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784574782 /nfs/dbraw/zinc/57/47/82/784574782.db2.gz XDPSRCDCKTXRCR-CQSZACIVSA-N 0 3 301.365 2.188 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cncnc1C ZINC000968757658 784575568 /nfs/dbraw/zinc/57/55/68/784575568.db2.gz AKFKJNVHTXWJNK-HNNXBMFYSA-N 0 3 302.422 2.336 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000968857146 784620862 /nfs/dbraw/zinc/62/08/62/784620862.db2.gz UPYRCZRUMHNJDT-HUUCEWRRSA-N 0 3 316.449 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccnn2C2CCC2)C1 ZINC001086367236 784625025 /nfs/dbraw/zinc/62/50/25/784625025.db2.gz DJDYQEUMRFKTTG-JOCQHMNTSA-N 0 3 322.840 2.459 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC000968873801 784630708 /nfs/dbraw/zinc/63/07/08/784630708.db2.gz DJHVYFYSBCIROE-GFCCVEGCSA-N 0 3 312.364 2.439 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC000968913229 784647345 /nfs/dbraw/zinc/64/73/45/784647345.db2.gz DHDADXPGCAMJPW-AWEZNQCLSA-N 0 3 321.371 2.358 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000968931389 784655747 /nfs/dbraw/zinc/65/57/47/784655747.db2.gz MYONXIKFGMJQPM-ZDUSSCGKSA-N 0 3 302.422 2.059 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC000968928599 784655978 /nfs/dbraw/zinc/65/59/78/784655978.db2.gz PKELAZSGWDWHTD-MRXNPFEDSA-N 0 3 316.449 2.308 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC000968931377 784657062 /nfs/dbraw/zinc/65/70/62/784657062.db2.gz MRDRJTGGUQZWKU-CQSZACIVSA-N 0 3 316.449 2.449 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cc(OCC)no1 ZINC000968954873 784668742 /nfs/dbraw/zinc/66/87/42/784668742.db2.gz HVYWXQFXKVNKRE-CQSZACIVSA-N 0 3 319.405 2.071 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001007332581 784890114 /nfs/dbraw/zinc/89/01/14/784890114.db2.gz JIJJPIROTRGREY-MRXNPFEDSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001086525854 784898634 /nfs/dbraw/zinc/89/86/34/784898634.db2.gz MIUWEBFKALIIAP-HAQNSBGRSA-N 0 3 311.813 2.396 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@H](Oc2cnccn2)C1 ZINC001171230129 791072602 /nfs/dbraw/zinc/07/26/02/791072602.db2.gz AWIXPIJVQLBGEL-YOEHRIQHSA-N 0 3 308.385 2.433 20 30 DEEDHN CCOC(=O)[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)CO1 ZINC001169391966 785174605 /nfs/dbraw/zinc/17/46/05/785174605.db2.gz MHCGCLYCOSMLFS-HOTGVXAUSA-N 0 3 302.374 2.101 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCCc2sc(C)nc21 ZINC001156336225 785226518 /nfs/dbraw/zinc/22/65/18/785226518.db2.gz XMCRQJNUVWNRMJ-TZMCWYRMSA-N 0 3 319.474 2.331 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001008656437 785263507 /nfs/dbraw/zinc/26/35/07/785263507.db2.gz DHMZNOHHIZBXTH-MOPGFXCFSA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001008774774 785301711 /nfs/dbraw/zinc/30/17/11/785301711.db2.gz OYFYKVTYHZIKPD-ZDUSSCGKSA-N 0 3 322.478 2.288 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001009192378 785404664 /nfs/dbraw/zinc/40/46/64/785404664.db2.gz ZHNXYQJAMBOKRI-KRWDZBQOSA-N 0 3 309.413 2.465 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2coc(CCC)n2)C1 ZINC001091325030 791108682 /nfs/dbraw/zinc/10/86/82/791108682.db2.gz YRZICWKLBXHMLC-UHFFFAOYSA-N 0 3 311.813 2.478 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001009294173 785423339 /nfs/dbraw/zinc/42/33/39/785423339.db2.gz CCGLIHBVYCFUPE-INIZCTEOSA-N 0 3 302.393 2.281 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001009375471 785439987 /nfs/dbraw/zinc/43/99/87/785439987.db2.gz FMWYNIRSYLHFPZ-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccnc2OCC)C1 ZINC001009396407 785447724 /nfs/dbraw/zinc/44/77/24/785447724.db2.gz XEYDVSUBAWWFKY-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001156540632 785649393 /nfs/dbraw/zinc/64/93/93/785649393.db2.gz CLPJCWWGUCPVOX-BRWVUGGUSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CCOCC1)C2 ZINC001109380520 785830006 /nfs/dbraw/zinc/83/00/06/785830006.db2.gz BVSGUEADZQWGSV-SQNIBIBYSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(/C)C=C)C2 ZINC001109619193 785960216 /nfs/dbraw/zinc/96/02/16/785960216.db2.gz KKVBGDGMPHFOKB-MXFARKAYSA-N 0 3 304.434 2.433 20 30 DEEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnon1)C2 ZINC001109865200 786089699 /nfs/dbraw/zinc/08/96/99/786089699.db2.gz JRHVUAFUBJSZRO-IPYPFGDCSA-N 0 3 304.394 2.151 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cccnc2C)CC1 ZINC001113343403 786536364 /nfs/dbraw/zinc/53/63/64/786536364.db2.gz JHWMDWJEKFTCQR-OAHLLOKOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1CCN(C(=O)c2cc(CCCCC)[nH]n2)CC1 ZINC001113428447 786589832 /nfs/dbraw/zinc/58/98/32/786589832.db2.gz ZBLXEPYFHVXGQF-UHFFFAOYSA-N 0 3 304.438 2.476 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001014721189 786722146 /nfs/dbraw/zinc/72/21/46/786722146.db2.gz IXRFBKKSFBLRIC-HOTGVXAUSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCO[C@@H](CC)C1 ZINC001170224742 786868637 /nfs/dbraw/zinc/86/86/37/786868637.db2.gz VSTYNXQPYATLTH-YQQAZPJKSA-N 0 3 319.449 2.480 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001015109920 786898496 /nfs/dbraw/zinc/89/84/96/786898496.db2.gz XKTDBGLEHULFAJ-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001114024760 787049181 /nfs/dbraw/zinc/04/91/81/787049181.db2.gz DYFICSLTRAXLLO-HWWDLCQESA-N 0 3 302.393 2.381 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(CCOc3cccc(C)c3)C[C@H]21 ZINC001114028425 787060107 /nfs/dbraw/zinc/06/01/07/787060107.db2.gz QXCBRNZQVOHCHM-DZFIZOCASA-N 0 3 314.429 2.386 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001015507667 787085613 /nfs/dbraw/zinc/08/56/13/787085613.db2.gz DJOFFBHQRSRCST-JKSUJKDBSA-N 0 3 312.413 2.157 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001015518315 787090015 /nfs/dbraw/zinc/09/00/15/787090015.db2.gz IABYEYKTMIUCDK-ZIAGYGMSSA-N 0 3 319.405 2.296 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001114198508 787159343 /nfs/dbraw/zinc/15/93/43/787159343.db2.gz CXEFFAFNGLGYDB-DZFIZOCASA-N 0 3 314.404 2.484 20 30 DEEDHN CCc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)c1 ZINC001114253523 787185593 /nfs/dbraw/zinc/18/55/93/787185593.db2.gz PTUQSECMEGRYAV-RUYXUALKSA-N 0 3 308.425 2.209 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001015689881 787186521 /nfs/dbraw/zinc/18/65/21/787186521.db2.gz OLABZFHTGPXQCF-QGZVFWFLSA-N 0 3 311.429 2.443 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129417917 787209497 /nfs/dbraw/zinc/20/94/97/787209497.db2.gz KXYXBIDESGFZMW-CVEARBPZSA-N 0 3 319.453 2.166 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(F)c(F)c2)s1 ZINC001129483576 787217986 /nfs/dbraw/zinc/21/79/86/787217986.db2.gz BOBVHDRBNWFQSU-UHFFFAOYSA-N 0 3 321.352 2.418 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001170452625 787221556 /nfs/dbraw/zinc/22/15/56/787221556.db2.gz AIBYOKAUGMTHTP-SUMWQHHRSA-N 0 3 323.437 2.075 20 30 DEEDHN C[C@@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)C1CCC1 ZINC001130131989 787291441 /nfs/dbraw/zinc/29/14/41/787291441.db2.gz SJPFHIXYVYUCJQ-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCC(C)C)C1 ZINC001130337732 787350617 /nfs/dbraw/zinc/35/06/17/787350617.db2.gz IVKCZBRRNFKOPQ-CQSZACIVSA-N 0 3 304.438 2.437 20 30 DEEDHN COc1ccc(CNCCNC(=O)C2(F)CCCC2)cc1C#N ZINC001130622616 787444642 /nfs/dbraw/zinc/44/46/42/787444642.db2.gz RIQFNNPTEYGJKB-UHFFFAOYSA-N 0 3 319.380 2.055 20 30 DEEDHN COCc1ccccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001130771322 787473966 /nfs/dbraw/zinc/47/39/66/787473966.db2.gz PIRSIDBSXBJKOY-UHFFFAOYSA-N 0 3 323.396 2.224 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)COC3)C2 ZINC001096154357 787536080 /nfs/dbraw/zinc/53/60/80/787536080.db2.gz NYBAYKLTYNNWNM-SQNIBIBYSA-N 0 3 310.397 2.075 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3ccnc13)C2 ZINC001096155592 787537023 /nfs/dbraw/zinc/53/70/23/787537023.db2.gz HDWVIVREORYXLE-KBMXLJTQSA-N 0 3 310.401 2.246 20 30 DEEDHN CC1(C)CO[C@@H](CC(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001131226453 787572648 /nfs/dbraw/zinc/57/26/48/787572648.db2.gz MCCBZFWVACWBCG-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2NCCF)CC1 ZINC001131557998 787650301 /nfs/dbraw/zinc/65/03/01/787650301.db2.gz BBAVMLCVDCBLAA-WBVHZDCISA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)COC(C)(C)C)C[C@H](C)O2 ZINC001131650453 787671827 /nfs/dbraw/zinc/67/18/27/787671827.db2.gz UVPIGMZUELJAOV-MAUKXSAKSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccsc2)CC[C@@H]1C ZINC001131762002 787731660 /nfs/dbraw/zinc/73/16/60/787731660.db2.gz WRMUPPVKPRVSIR-HOCLYGCPSA-N 0 3 322.474 2.462 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2occ3c2CCC3)c1 ZINC001131850953 787772323 /nfs/dbraw/zinc/77/23/23/787772323.db2.gz HPCSCSVOMPCWKO-UHFFFAOYSA-N 0 3 309.369 2.160 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CCn2nc(C)cc2C)C1 ZINC001131894834 787785756 /nfs/dbraw/zinc/78/57/56/787785756.db2.gz BUKLISSDMOXAHZ-WBVHZDCISA-N 0 3 318.465 2.435 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC2CC2)C1 ZINC001131996807 787872698 /nfs/dbraw/zinc/87/26/98/787872698.db2.gz YEUQHHQTHGRGNN-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001097029689 787961223 /nfs/dbraw/zinc/96/12/23/787961223.db2.gz IBQWUXJMDXVQIN-JOCQHMNTSA-N 0 3 318.396 2.098 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132215558 787967062 /nfs/dbraw/zinc/96/70/62/787967062.db2.gz ZQWIDIYPTGUZBR-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccnc(C)n2)CC[C@@H]1C ZINC001132199448 787970104 /nfs/dbraw/zinc/97/01/04/787970104.db2.gz IMXQVBOZJBQYLI-WMLDXEAASA-N 0 3 316.449 2.263 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CCc2ccnn2C)C1 ZINC001132256245 787993550 /nfs/dbraw/zinc/99/35/50/787993550.db2.gz LHJMHTMUEQPZGF-HOTGVXAUSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001132292412 788014592 /nfs/dbraw/zinc/01/45/92/788014592.db2.gz QODYXBGTKTXORK-ZBFHGGJFSA-N 0 3 306.450 2.348 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001097189865 788019807 /nfs/dbraw/zinc/01/98/07/788019807.db2.gz HDJLZWPEBHRVHY-BETUJISGSA-N 0 3 318.396 2.097 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001132308975 788020350 /nfs/dbraw/zinc/02/03/50/788020350.db2.gz ZNZLMNNMILWJPN-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c1CCCC3)C2 ZINC001097242469 788034771 /nfs/dbraw/zinc/03/47/71/788034771.db2.gz AMPUUMAYYQGGIZ-KYJSFNMBSA-N 0 3 311.429 2.183 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(=O)NCCC)CC[C@@H]1C ZINC001132429458 788069072 /nfs/dbraw/zinc/06/90/72/788069072.db2.gz MJFBHOBDSOOFPZ-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1cccnc1)C2 ZINC001097392288 788081845 /nfs/dbraw/zinc/08/18/45/788081845.db2.gz QVWXZZLHGITEFD-ZACQAIPSSA-N 0 3 311.429 2.104 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2c(C)n[nH]c2C)CC[C@@H]1C ZINC001132481558 788097132 /nfs/dbraw/zinc/09/71/32/788097132.db2.gz HJBZXXVBRQDTIY-WFASDCNBSA-N 0 3 304.438 2.114 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCn2cccn2)CC[C@@H]1C ZINC001132490729 788103675 /nfs/dbraw/zinc/10/36/75/788103675.db2.gz XYKLGXNLGCZYEL-JKSUJKDBSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C/C(C)=C\CC(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001132515864 788113585 /nfs/dbraw/zinc/11/35/85/788113585.db2.gz MSKAAHJJFUBTHJ-QOBZYLRHSA-N 0 3 321.465 2.028 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCOCC1)C2 ZINC001097492143 788117736 /nfs/dbraw/zinc/11/77/36/788117736.db2.gz HXAONGWDUSREMR-ZACQAIPSSA-N 0 3 318.461 2.184 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)nc1C)C2 ZINC001097494064 788118943 /nfs/dbraw/zinc/11/89/43/788118943.db2.gz KXNAHMONDNJQAU-OAGGEKHMSA-N 0 3 314.433 2.313 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCn2ccnc2)CC[C@H]1C ZINC001132546543 788121387 /nfs/dbraw/zinc/12/13/87/788121387.db2.gz NSRXOBLZBUXAFX-HZPDHXFCSA-N 0 3 304.438 2.209 20 30 DEEDHN C#CCN1CCC[C@@H](N(Cc2ccccn2)C(=O)C(F)F)CC1 ZINC001132549560 788127330 /nfs/dbraw/zinc/12/73/30/788127330.db2.gz UXPVKQUSLSZWGP-OAHLLOKOSA-N 0 3 321.371 2.163 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132651482 788156903 /nfs/dbraw/zinc/15/69/03/788156903.db2.gz ZVGLLNIXWGRUEJ-AWEZNQCLSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001132662681 788158741 /nfs/dbraw/zinc/15/87/41/788158741.db2.gz ICLWBDWYCFYOBR-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001132667150 788160067 /nfs/dbraw/zinc/16/00/67/788160067.db2.gz FIIVZAVQGCTEML-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN Cc1nnc([C@H](C)NCCCC[C@H](C)NC(=O)C#CC(C)C)[nH]1 ZINC001170649836 788276778 /nfs/dbraw/zinc/27/67/78/788276778.db2.gz VYYYAWGZUYPNHU-KBPBESRZSA-N 0 3 319.453 2.098 20 30 DEEDHN C=CCCCC(=O)NCCN[C@H]1CCc2ccccc2NC1=O ZINC001133142821 788293690 /nfs/dbraw/zinc/29/36/90/788293690.db2.gz JYDIPWQZTILYAZ-INIZCTEOSA-N 0 3 315.417 2.002 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(N(C)C)c1)C2 ZINC001097963853 788296583 /nfs/dbraw/zinc/29/65/83/788296583.db2.gz ATZZEASCKPFYJI-OAGGEKHMSA-N 0 3 314.433 2.059 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)NC1CCCCCCC1 ZINC001133145017 788300126 /nfs/dbraw/zinc/30/01/26/788300126.db2.gz LUAYJXYSMFQVIG-UHFFFAOYSA-N 0 3 323.481 2.278 20 30 DEEDHN CC(C)[C@H](C(=O)NC[C@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001097971063 788301314 /nfs/dbraw/zinc/30/13/14/788301314.db2.gz DGNQSUBAWKDLNN-BLLLJJGKSA-N 0 3 320.412 2.200 20 30 DEEDHN C#Cc1cncc(C(=O)NCCN[C@H](C)c2cccc(F)c2)c1 ZINC001133597344 788514724 /nfs/dbraw/zinc/51/47/24/788514724.db2.gz OFMXNISUDJVIBJ-CYBMUJFWSA-N 0 3 311.360 2.283 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001133908652 788667207 /nfs/dbraw/zinc/66/72/07/788667207.db2.gz AESZITLZMCFHKG-RYUDHWBXSA-N 0 3 311.451 2.027 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CCCC(F)(F)F)c1 ZINC001134230118 788817531 /nfs/dbraw/zinc/81/75/31/788817531.db2.gz QVZJHNXGFIZMKB-UHFFFAOYSA-N 0 3 313.323 2.497 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001086720639 788843707 /nfs/dbraw/zinc/84/37/07/788843707.db2.gz GVCZRCCNXXQAEH-QWHCGFSZSA-N 0 3 322.840 2.070 20 30 DEEDHN CCn1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)n1 ZINC001134330338 788877295 /nfs/dbraw/zinc/87/72/95/788877295.db2.gz YLXYLELMECHBDL-LSDHHAIUSA-N 0 3 318.465 2.325 20 30 DEEDHN C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134408491 788916775 /nfs/dbraw/zinc/91/67/75/788916775.db2.gz MWGLHBOQJXZOPW-VXGBXAGGSA-N 0 3 301.394 2.021 20 30 DEEDHN C[C@@H](Cc1ccco1)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135182945 789233951 /nfs/dbraw/zinc/23/39/51/789233951.db2.gz HXABOZLODVSLAX-AWEZNQCLSA-N 0 3 311.385 2.236 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001070414012 789316131 /nfs/dbraw/zinc/31/61/31/789316131.db2.gz CIKUNPNRLKGELD-AAEUAGOBSA-N 0 3 324.375 2.047 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC23CCC3)C1 ZINC001070427772 789324437 /nfs/dbraw/zinc/32/44/37/789324437.db2.gz CRMPKROPRCXOPX-UKRRQHHQSA-N 0 3 314.433 2.191 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2cnns2)C1 ZINC001135426294 789335124 /nfs/dbraw/zinc/33/51/24/789335124.db2.gz BWESRWGVXGGXSL-NWDGAFQWSA-N 0 3 308.451 2.267 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1c1cn(C)cn1 ZINC001070524065 789363230 /nfs/dbraw/zinc/36/32/30/789363230.db2.gz VACDSJRNRYFSPY-GOEBONIOSA-N 0 3 316.449 2.070 20 30 DEEDHN C[C@H](Nc1nc(C#N)c(Cl)cc1Cl)[C@H]1CNCCO1 ZINC001159503208 789436748 /nfs/dbraw/zinc/43/67/48/789436748.db2.gz UYGLMDCVHMDQLB-WRWORJQWSA-N 0 3 301.177 2.049 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)c1ccccc1)C[C@H](C)O2 ZINC001071127982 789541691 /nfs/dbraw/zinc/54/16/91/789541691.db2.gz WXQGGTNMGLIQOA-LPHOPBHVSA-N 0 3 312.413 2.015 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cscn1)C[C@@H](C)O2 ZINC001071141306 789554298 /nfs/dbraw/zinc/55/42/98/789554298.db2.gz IWCJPLNSLKHKOC-CJNGLKHVSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(F)(F)F)C[C@@H](C)O2 ZINC001071140783 789554443 /nfs/dbraw/zinc/55/44/43/789554443.db2.gz BEFDFCHJHQBJMM-OCCSQVGLSA-N 0 3 320.355 2.207 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC1(C)CC1)C[C@@H](C)O2 ZINC001071193182 789583381 /nfs/dbraw/zinc/58/33/81/789583381.db2.gz XXNYNJZAGQKXRU-CRAIPNDOSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C1CC1)C[C@H](C)O2 ZINC001071201754 789588752 /nfs/dbraw/zinc/58/87/52/789588752.db2.gz KIVHMBSCAOMYCY-KXBFYZLASA-N 0 3 318.461 2.138 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001071260704 789614202 /nfs/dbraw/zinc/61/42/02/789614202.db2.gz DKSOEVSQDAKEQQ-RKVPGOIHSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc(COC)c1 ZINC001170940199 789678712 /nfs/dbraw/zinc/67/87/12/789678712.db2.gz UICYEJLUIMKCFV-UHFFFAOYSA-N 0 3 310.825 2.224 20 30 DEEDHN CC(C)=CCN1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[C@H]1C ZINC001071427877 789718953 /nfs/dbraw/zinc/71/89/53/789718953.db2.gz RMWGUQJZTRHUHI-UKRRQHHQSA-N 0 3 300.406 2.435 20 30 DEEDHN CC(C)=CCN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[C@H]1C ZINC001071438120 789723903 /nfs/dbraw/zinc/72/39/03/789723903.db2.gz LZLYRFLBKPSBGY-HIFRSBDPSA-N 0 3 300.406 2.435 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001071509033 789748844 /nfs/dbraw/zinc/74/88/44/789748844.db2.gz WPIFMXUAZXSKHW-IRXDYDNUSA-N 0 3 319.493 2.243 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn3c(C)cnc3c2)CC[C@H]1C ZINC001071512556 789751849 /nfs/dbraw/zinc/75/18/49/789751849.db2.gz ZFMFURVBWOELHR-RHSMWYFYSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)nnc2C)CC[C@H]1C ZINC001071532041 789762732 /nfs/dbraw/zinc/76/27/32/789762732.db2.gz VGDDBJIFCMUUON-UKRRQHHQSA-N 0 3 302.422 2.252 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(C)nc2C2CC2)CC[C@H]1C ZINC001071540889 789767750 /nfs/dbraw/zinc/76/77/50/789767750.db2.gz XORMPTAECDJDGT-UKRRQHHQSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2CC(C)C)CC[C@H]1C ZINC001071544259 789770346 /nfs/dbraw/zinc/77/03/46/789770346.db2.gz WHANDDIQSAEBJJ-CVEARBPZSA-N 0 3 316.449 2.145 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)CC[C@@H]1C ZINC001071607824 789809755 /nfs/dbraw/zinc/80/97/55/789809755.db2.gz SLRBHCSGLQLOAJ-HOTGVXAUSA-N 0 3 318.465 2.472 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn3cncc3c2)CC[C@H]1C ZINC001071651458 789842024 /nfs/dbraw/zinc/84/20/24/789842024.db2.gz IWBPXWJZUPLNQF-ZBFHGGJFSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@@H]1C ZINC001071666792 789851812 /nfs/dbraw/zinc/85/18/12/789851812.db2.gz RELJXAZMNGQSMH-JSGCOSHPSA-N 0 3 304.390 2.025 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cnccc3c2)CC[C@@H]1C ZINC001071686653 789864731 /nfs/dbraw/zinc/86/47/31/789864731.db2.gz XGCGBWPGFFPOJI-WMLDXEAASA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)CC[C@H]1C ZINC001071693588 789870708 /nfs/dbraw/zinc/87/07/08/789870708.db2.gz SSTVXGWUBZBBER-IUODEOHRSA-N 0 3 303.406 2.118 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(CC)c2C)CC[C@@H]1C ZINC001071758100 789907236 /nfs/dbraw/zinc/90/72/36/789907236.db2.gz YVLOBUNEBSSYMZ-GOEBONIOSA-N 0 3 301.434 2.422 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ncccc2OC)CC[C@@H]1C ZINC001071768910 789910951 /nfs/dbraw/zinc/91/09/51/789910951.db2.gz GDVZLSQTMAHQJC-LSDHHAIUSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)nc(OC)c2)CC[C@@H]1C ZINC001071773236 789913628 /nfs/dbraw/zinc/91/36/28/789913628.db2.gz YQKVZGOKFVFFAL-GOEBONIOSA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071848624 789941605 /nfs/dbraw/zinc/94/16/05/789941605.db2.gz VGDOVTWOGDJZGD-DNVCBOLYSA-N 0 3 310.441 2.394 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc(C)nc2C)CC[C@@H]1C ZINC001071907933 789968971 /nfs/dbraw/zinc/96/89/71/789968971.db2.gz JBJXCWFVWVKZNQ-SWLSCSKDSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)cn2)CC[C@@H]1C ZINC001072008371 790010911 /nfs/dbraw/zinc/01/09/11/790010911.db2.gz FEYMIFMXVBPUJM-GXTWGEPZSA-N 0 3 305.809 2.341 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(OC)cc2)CC[C@H]1C ZINC001072019151 790015218 /nfs/dbraw/zinc/01/52/18/790015218.db2.gz DGLUPFHQSBUZCT-GDBMZVCRSA-N 0 3 302.418 2.393 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cncnc2C(C)C)CC[C@@H]1C ZINC001072085788 790047559 /nfs/dbraw/zinc/04/75/59/790047559.db2.gz ZJTRFZOZMZTNAQ-GJZGRUSLSA-N 0 3 314.433 2.206 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001072639538 790205585 /nfs/dbraw/zinc/20/55/85/790205585.db2.gz XYMSQVRTJHECAJ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC001072786037 790246044 /nfs/dbraw/zinc/24/60/44/790246044.db2.gz QRAWCYXZRNNURR-UHFFFAOYSA-N 0 3 310.441 2.404 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@]2(C)C1 ZINC001091473114 791197262 /nfs/dbraw/zinc/19/72/62/791197262.db2.gz IXBUTCONOURWPL-QAPCUYQASA-N 0 3 300.402 2.314 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001091544400 791237379 /nfs/dbraw/zinc/23/73/79/791237379.db2.gz YYQFLTQJXNLQDW-JOQOYGCGSA-N 0 3 315.392 2.266 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@H](C)C1 ZINC001075017288 791430901 /nfs/dbraw/zinc/43/09/01/791430901.db2.gz MRSNNYIILYZBRB-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3(COC)CCCCC3)C2)C1 ZINC001147675974 791593786 /nfs/dbraw/zinc/59/37/86/791593786.db2.gz GMGFXUODNZUTRK-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(F)cc1)C2 ZINC001098312744 791606600 /nfs/dbraw/zinc/60/66/00/791606600.db2.gz HOPPXNMFZKVQNI-ZACQAIPSSA-N 0 3 300.377 2.113 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)onc1CC)C2 ZINC001098382736 791618670 /nfs/dbraw/zinc/61/86/70/791618670.db2.gz KWYXPTACPPSPQZ-YUELXQCFSA-N 0 3 303.406 2.457 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)SC)C[C@H](C)O2 ZINC001098563461 791652489 /nfs/dbraw/zinc/65/24/89/791652489.db2.gz YBPWKKPJMFKJKG-KBPBESRZSA-N 0 3 312.479 2.006 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)noc2C)C1 ZINC001098724737 791683377 /nfs/dbraw/zinc/68/33/77/791683377.db2.gz GXQPXSDFHVBDHY-YOEHRIQHSA-N 0 3 303.406 2.452 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cc(F)ccc2C)cn1 ZINC001148382733 791742936 /nfs/dbraw/zinc/74/29/36/791742936.db2.gz CJQZSBDKXSRMGY-UHFFFAOYSA-N 0 3 311.360 2.030 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCCn3nc(C)cc3C)C2)C1 ZINC001148378350 791743107 /nfs/dbraw/zinc/74/31/07/791743107.db2.gz KPXOBQWYNHXUDH-UHFFFAOYSA-N 0 3 316.449 2.000 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@@H]1CCN(CC)C1=O ZINC001148721988 791793117 /nfs/dbraw/zinc/79/31/17/791793117.db2.gz SOMOMBLEIJBNAD-OAHLLOKOSA-N 0 3 311.470 2.064 20 30 DEEDHN CCCCCCCCCC(=O)NCCNCC(=O)NCCC ZINC001148820486 791808291 /nfs/dbraw/zinc/80/82/91/791808291.db2.gz FWLPPGHIGKTPGL-UHFFFAOYSA-N 0 3 313.486 2.359 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(C)on3)C2)CC1 ZINC001086899641 791842260 /nfs/dbraw/zinc/84/22/60/791842260.db2.gz ODLKCTCMGSBHAV-CQSZACIVSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001086905413 791844757 /nfs/dbraw/zinc/84/47/57/791844757.db2.gz ZEWUBSGPOQSYSR-OAHLLOKOSA-N 0 3 312.413 2.342 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCOC3)C2)CC1 ZINC001086908809 791846060 /nfs/dbraw/zinc/84/60/60/791846060.db2.gz IOPPVVWMXZGTTF-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3[nH]cnc3C)C2)CC1 ZINC001086960647 791865493 /nfs/dbraw/zinc/86/54/93/791865493.db2.gz AVIBXSSQBXWSPA-CQSZACIVSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4c(c3)[C@H](C)CO4)C[C@]2(C)C1 ZINC001091939659 791908936 /nfs/dbraw/zinc/90/89/36/791908936.db2.gz BKOLHFUOQYXATQ-KKVAFCGZSA-N 0 3 324.424 2.210 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc4c3ccn4C)C[C@]2(C)C1 ZINC001092101657 791931924 /nfs/dbraw/zinc/93/19/24/791931924.db2.gz MAQGXWCKBMXZLD-QRWLVFNGSA-N 0 3 321.424 2.205 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(C(F)F)n2)C1 ZINC001098855959 791964811 /nfs/dbraw/zinc/96/48/11/791964811.db2.gz UYRRBSGYUBGZKG-NHYWBVRUSA-N 0 3 310.348 2.049 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)c3cccc(F)c3)C[C@]2(C)C1 ZINC001092290366 791981439 /nfs/dbraw/zinc/98/14/39/791981439.db2.gz OETXUOUSLQMBJU-OGWOLHLISA-N 0 3 314.404 2.343 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C=C)c3ccccc3)C[C@]2(C)C1 ZINC001092294458 791982897 /nfs/dbraw/zinc/98/28/97/791982897.db2.gz SNBONAUHIWNSGW-GGPKGHCWSA-N 0 3 308.425 2.370 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001098941104 791990565 /nfs/dbraw/zinc/99/05/65/791990565.db2.gz YVGSSPCCHXXITG-BMFAXAFESA-N 0 3 318.461 2.206 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001098941300 791992848 /nfs/dbraw/zinc/99/28/48/791992848.db2.gz JCRDAZHJZDGLKO-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccco2)C1 ZINC001099024246 792041957 /nfs/dbraw/zinc/04/19/57/792041957.db2.gz GUIZAEKCGYNNNE-VKJFTORMSA-N 0 3 300.402 2.377 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001099140772 792112496 /nfs/dbraw/zinc/11/24/96/792112496.db2.gz DEQHNGATPQSFIC-HQRMLTQVSA-N 0 3 324.424 2.252 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2scnc2C(F)F)[C@H](C)C1 ZINC001092816561 792140366 /nfs/dbraw/zinc/14/03/66/792140366.db2.gz WOWFIBHDECDHMZ-NXEZZACHSA-N 0 3 313.373 2.012 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1C(F)(F)F ZINC001099312956 792169678 /nfs/dbraw/zinc/16/96/78/792169678.db2.gz LIWXOSJCMXUMMY-CHWSQXEVSA-N 0 3 315.339 2.410 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C(F)(F)F ZINC001099345037 792176795 /nfs/dbraw/zinc/17/67/95/792176795.db2.gz WDKZUXRHPGPREV-CHWSQXEVSA-N 0 3 315.339 2.112 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc([C@H](C)CC)no2)[C@H](C)C1 ZINC001093032475 792214475 /nfs/dbraw/zinc/21/44/75/792214475.db2.gz NYEBYSMWFTYUCN-MGPQQGTHSA-N 0 3 303.406 2.119 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3cccnc3s2)[C@H](C)C1 ZINC001093103292 792235690 /nfs/dbraw/zinc/23/56/90/792235690.db2.gz KJAVRFOZSUIXCS-TZMCWYRMSA-N 0 3 313.426 2.227 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)nc1 ZINC001093143181 792251469 /nfs/dbraw/zinc/25/14/69/792251469.db2.gz SOASFQXHUJYXEW-OTDCPUGPSA-N 0 3 317.820 2.113 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2csc(CC(C)C)n2)[C@H](C)C1 ZINC001093251187 792310526 /nfs/dbraw/zinc/31/05/26/792310526.db2.gz YQNAEQMMLNPULF-ZIAGYGMSSA-N 0 3 319.474 2.273 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C)SC)CC1 ZINC001093358559 792339629 /nfs/dbraw/zinc/33/96/29/792339629.db2.gz DWGQQYYFMXPFCL-GOEBONIOSA-N 0 3 320.502 2.464 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2cocn2)CC1 ZINC001093361040 792342230 /nfs/dbraw/zinc/34/22/30/792342230.db2.gz HCXZFOFAZZSYQS-MRXNPFEDSA-N 0 3 313.401 2.015 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2cnco2)CC1 ZINC001093374189 792348048 /nfs/dbraw/zinc/34/80/48/792348048.db2.gz BTYSVKJLJFRQBB-MRXNPFEDSA-N 0 3 313.401 2.015 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099856132 792382783 /nfs/dbraw/zinc/38/27/83/792382783.db2.gz SBSBELZYDCSSLR-DLBZAZTESA-N 0 3 306.450 2.395 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099976370 792425436 /nfs/dbraw/zinc/42/54/36/792425436.db2.gz NHIYGHKPTHZSCB-IAGOWNOFSA-N 0 3 306.450 2.395 20 30 DEEDHN Cc1ccc(F)c(CNC2CC(CNC(=O)[C@H](C)C#N)C2)c1 ZINC001100196487 792512204 /nfs/dbraw/zinc/51/22/04/792512204.db2.gz KZWAARNNQRJEMI-DNOWBOINSA-N 0 3 303.381 2.278 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(N[C@H](C)c2cnccn2)C1 ZINC001100259699 792550763 /nfs/dbraw/zinc/55/07/63/792550763.db2.gz RVYGLJBJDOXJFH-QQFBHYJXSA-N 0 3 314.433 2.216 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2conc2CC)C1 ZINC001100564372 792722154 /nfs/dbraw/zinc/72/21/54/792722154.db2.gz AWDMUABSRLUXBP-UHFFFAOYSA-N 0 3 305.422 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cccc(OC)n2)C1 ZINC001100564703 792724021 /nfs/dbraw/zinc/72/40/21/792724021.db2.gz STNSNXQXBLTBBV-UHFFFAOYSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(N[C@@H](C)c2cnccn2)C1 ZINC001100569037 792724572 /nfs/dbraw/zinc/72/45/72/792724572.db2.gz JHJOHKVNTQVFLV-HSBZDZAISA-N 0 3 302.422 2.234 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001100593853 792739773 /nfs/dbraw/zinc/73/97/73/792739773.db2.gz ZZZCBNDVFZMWRW-JXQTWKCFSA-N 0 3 302.846 2.429 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccccc3F)CCC[C@@H]12 ZINC001094351240 792858847 /nfs/dbraw/zinc/85/88/47/792858847.db2.gz KYOYOJSJSTUDMF-SJLPKXTDSA-N 0 3 300.377 2.433 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001171446034 792927675 /nfs/dbraw/zinc/92/76/75/792927675.db2.gz WDNSYNBFIUBAEU-UONOGXRCSA-N 0 3 320.437 2.415 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)[C@@H](F)CC)c2)C1 ZINC001101095230 793015609 /nfs/dbraw/zinc/01/56/09/793015609.db2.gz DWCLOLRCMLDAGE-HOTGVXAUSA-N 0 3 321.396 2.085 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001101229754 793077322 /nfs/dbraw/zinc/07/73/22/793077322.db2.gz KTBVFJIQQGKHDI-HIFRSBDPSA-N 0 3 316.367 2.379 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(OC)cc(OC)c1 ZINC001171935687 793267626 /nfs/dbraw/zinc/26/76/26/793267626.db2.gz DITMKVUCDKPCRL-UHFFFAOYSA-N 0 3 312.797 2.166 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240860 793383467 /nfs/dbraw/zinc/38/34/67/793383467.db2.gz NUFIJFPMLZLGFK-BTFYYFJDSA-N 0 3 315.417 2.008 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1C ZINC001101805442 793385345 /nfs/dbraw/zinc/38/53/45/793385345.db2.gz QRJQIJCAAHRUGC-HUUCEWRRSA-N 0 3 317.433 2.241 20 30 DEEDHN C[C@@H](CCCC#N)N1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001172499523 793439003 /nfs/dbraw/zinc/43/90/03/793439003.db2.gz SZSVVBPHSIBQPY-HNNXBMFYSA-N 0 3 312.417 2.312 20 30 DEEDHN CCCC[C@H](C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001101933192 793447298 /nfs/dbraw/zinc/44/72/98/793447298.db2.gz AFVLCABPHQVUMX-GVDBMIGSSA-N 0 3 308.466 2.147 20 30 DEEDHN Cc1ncsc1CN1C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C1 ZINC001101946920 793455324 /nfs/dbraw/zinc/45/53/24/793455324.db2.gz QEYLQQMKENQHDS-UKRRQHHQSA-N 0 3 319.474 2.295 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150078826 793484405 /nfs/dbraw/zinc/48/44/05/793484405.db2.gz NKZSQARXHLNPLL-CQSZACIVSA-N 0 3 300.418 2.155 20 30 DEEDHN C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001172861436 793521058 /nfs/dbraw/zinc/52/10/58/793521058.db2.gz RSRKFYBXHDZKJT-RWEMILLDSA-N 0 3 300.761 2.236 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCC[C@H](OC)C1 ZINC001172944865 793541277 /nfs/dbraw/zinc/54/12/77/793541277.db2.gz YKOSUDRTIODPOQ-HLLBOEOZSA-N 0 3 319.449 2.480 20 30 DEEDHN C[C@H](N)c1ccn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172975843 793548670 /nfs/dbraw/zinc/54/86/70/793548670.db2.gz KEGRAFPOQJMRNB-AVGNSLFASA-N 0 3 319.409 2.367 20 30 DEEDHN CO[C@@H]1CCCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172978781 793550071 /nfs/dbraw/zinc/55/00/71/793550071.db2.gz AOXZORAAMVXPNP-QLFBSQMISA-N 0 3 323.437 2.389 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC3(COC3)C2)C[C@H]1C#N ZINC001172987658 793550920 /nfs/dbraw/zinc/55/09/20/793550920.db2.gz FKLMIGMYTAAZOZ-KBPBESRZSA-N 0 3 321.421 2.000 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H](C)C1 ZINC001102384900 793598077 /nfs/dbraw/zinc/59/80/77/793598077.db2.gz HSBZZXJFRWIYPA-BRSBDYLESA-N 0 3 320.477 2.003 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@H]2CCc3ncsc3C2)C1 ZINC001173148159 793606029 /nfs/dbraw/zinc/60/60/29/793606029.db2.gz SOCLNHCBSXNRIO-OLZOCXBDSA-N 0 3 321.446 2.377 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150140697 793615113 /nfs/dbraw/zinc/61/51/13/793615113.db2.gz VDXQUCOZHKVUKJ-HUUCEWRRSA-N 0 3 300.418 2.155 20 30 DEEDHN CC(C)(C)OC(=O)[C@H](N)C1CN(C2CCC(CC#N)CC2)C1 ZINC001173331323 793680675 /nfs/dbraw/zinc/68/06/75/793680675.db2.gz CGKXCSYYLCOSGV-PESDSKBTSA-N 0 3 307.438 2.060 20 30 DEEDHN Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001102784200 793754311 /nfs/dbraw/zinc/75/43/11/793754311.db2.gz OKOBFUULLAFFLG-YRGRVCCFSA-N 0 3 320.462 2.185 20 30 DEEDHN CC(C)C#CC(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001102957590 793835548 /nfs/dbraw/zinc/83/55/48/793835548.db2.gz SFKFDKUWAYNNST-HUUCEWRRSA-N 0 3 319.474 2.377 20 30 DEEDHN Cc1ncc(CN2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C2)o1 ZINC001102957138 793836117 /nfs/dbraw/zinc/83/61/17/793836117.db2.gz BQTNRBOZKXDIKR-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150372255 793980287 /nfs/dbraw/zinc/98/02/87/793980287.db2.gz PQQXRGFUSJOJRC-CQSZACIVSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)Cc2cnoc2)C1 ZINC001103356748 794054740 /nfs/dbraw/zinc/05/47/40/794054740.db2.gz WNHJFSSNURJFPX-BXUZGUMPSA-N 0 3 311.813 2.044 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2nc(C)c[nH]2)C1 ZINC001103513654 794128558 /nfs/dbraw/zinc/12/85/58/794128558.db2.gz JVLWPYRRBYCTFD-ZWNOBZJWSA-N 0 3 310.829 2.158 20 30 DEEDHN CCN1CCN(c2ccc(Nc3ccnc(C#N)c3)cc2)CC1 ZINC001175779636 794287335 /nfs/dbraw/zinc/28/73/35/794287335.db2.gz MTAKMZAZGRDCAA-UHFFFAOYSA-N 0 3 307.401 2.261 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2CC)C1 ZINC001103979124 794336008 /nfs/dbraw/zinc/33/60/08/794336008.db2.gz ASBZRXYJODEVKH-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2 ZINC001111668572 794452282 /nfs/dbraw/zinc/45/22/82/794452282.db2.gz OOOVRXLEZXUBKN-NOLJZWGESA-N 0 3 303.431 2.378 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001177269338 794629018 /nfs/dbraw/zinc/62/90/18/794629018.db2.gz JTWYHTSDISTZMC-AWEZNQCLSA-N 0 3 323.437 2.293 20 30 DEEDHN CCCCCCCCCCN(C)C(=O)[C@H](C)NC(=O)[C@H](C)N ZINC001161226785 794648907 /nfs/dbraw/zinc/64/89/07/794648907.db2.gz MKPFZPBMDLTNMY-GJZGRUSLSA-N 0 3 313.486 2.437 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2ccn(C)n2)CCCC1 ZINC001177552858 794690672 /nfs/dbraw/zinc/69/06/72/794690672.db2.gz PBZBOIINQSNHPQ-UHFFFAOYSA-N 0 3 304.438 2.153 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](OC)C1CCCCC1 ZINC001177659000 794728419 /nfs/dbraw/zinc/72/84/19/794728419.db2.gz YSUORFCQJPOYMY-CQSZACIVSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(C)n[nH]2)CCCCC1 ZINC001115429431 794768365 /nfs/dbraw/zinc/76/83/65/794768365.db2.gz CXQTXRPXHHDOAL-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCCc1cn2ccccc2n1 ZINC001177914788 794775329 /nfs/dbraw/zinc/77/53/29/794775329.db2.gz DJFLAAJFBWGGFL-CYBMUJFWSA-N 0 3 324.409 2.437 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)COC)C12CCC2 ZINC001203186705 794887462 /nfs/dbraw/zinc/88/74/62/794887462.db2.gz XGRVUYBAXZWQLP-CHWSQXEVSA-N 0 3 314.857 2.429 20 30 DEEDHN COc1cc(CNCCCCCCNC(=O)C#CC(C)C)on1 ZINC001178419335 794922715 /nfs/dbraw/zinc/92/27/15/794922715.db2.gz VMEWMUXZMSHVNG-UHFFFAOYSA-N 0 3 321.421 2.109 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@H](O)COc2ccc(OCC)cc2)C1 ZINC001116556740 794968458 /nfs/dbraw/zinc/96/84/58/794968458.db2.gz RZCNWPLDDYJYDR-MAUKXSAKSA-N 0 3 321.417 2.102 20 30 DEEDHN C=C(C)CC[NH2+]CCCCCCNC(=O)c1c(C)nc[n-]c1=O ZINC001179348616 795096472 /nfs/dbraw/zinc/09/64/72/795096472.db2.gz IQOAPLVHKQQGKA-UHFFFAOYSA-N 0 3 320.437 2.337 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001179364003 795106300 /nfs/dbraw/zinc/10/63/00/795106300.db2.gz DFKIFEQLHLUKDT-YCPHGPKFSA-N 0 3 304.438 2.101 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001179380980 795109570 /nfs/dbraw/zinc/10/95/70/795109570.db2.gz RJVDFOABPBOJPP-XBFCOCLRSA-N 0 3 318.421 2.038 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)[C@@H]1C ZINC001179384303 795110921 /nfs/dbraw/zinc/11/09/21/795110921.db2.gz IZKBRTLGOKKIBA-KKUMJFAQSA-N 0 3 323.481 2.082 20 30 DEEDHN COCC#CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001118570531 795201042 /nfs/dbraw/zinc/20/10/42/795201042.db2.gz MNCAMFSYOZUDDW-GOSISDBHSA-N 0 3 314.429 2.226 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cnc(C)o3)C2)C1 ZINC001120819131 795536218 /nfs/dbraw/zinc/53/62/18/795536218.db2.gz OJXAVBIZHQZQMZ-UHFFFAOYSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1nccn1CC(F)(F)F ZINC001121917568 795704415 /nfs/dbraw/zinc/70/44/15/795704415.db2.gz WJJNXAPDPWRJMQ-LLVKDONJSA-N 0 3 318.343 2.087 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-n2cc[nH]c2=O)c1 ZINC001121934212 795706239 /nfs/dbraw/zinc/70/62/39/795706239.db2.gz SWTRFKYWOCHANF-CQSZACIVSA-N 0 3 300.362 2.200 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H]1CCN(C(=O)CC)C1 ZINC001121969731 795711392 /nfs/dbraw/zinc/71/13/92/795711392.db2.gz YOTBXRMUQAWPFZ-LSDHHAIUSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC001122029446 795719039 /nfs/dbraw/zinc/71/90/39/795719039.db2.gz WYGGLFXSVBHJMZ-CABCVRRESA-N 0 3 319.453 2.249 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001122130713 795728750 /nfs/dbraw/zinc/72/87/50/795728750.db2.gz NXNGBMYNEKPRQJ-SJORKVTESA-N 0 3 312.417 2.424 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001122280532 795743136 /nfs/dbraw/zinc/74/31/36/795743136.db2.gz WTSZTWUSHPSIPR-BHTBLZRRSA-N 0 3 312.841 2.347 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001122537029 795773520 /nfs/dbraw/zinc/77/35/20/795773520.db2.gz FJDXXBLNNAAYOR-RRFJBIMHSA-N 0 3 321.469 2.217 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2cccs2)s1 ZINC001122661980 795792107 /nfs/dbraw/zinc/79/21/07/795792107.db2.gz UOXRAMZDXNFDAB-UHFFFAOYSA-N 0 3 305.428 2.130 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001183052380 795794255 /nfs/dbraw/zinc/79/42/55/795794255.db2.gz BPLKVWSBNCLYQS-OAHLLOKOSA-N 0 3 316.449 2.082 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cccs2)cc1F ZINC001122890676 795816461 /nfs/dbraw/zinc/81/64/61/795816461.db2.gz OPSCWHYUNCPJGL-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2cccs2)ccc1F ZINC001122890719 795816717 /nfs/dbraw/zinc/81/67/17/795816717.db2.gz PZKAECODRHIPNR-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001183277038 795833782 /nfs/dbraw/zinc/83/37/82/795833782.db2.gz BKRQEWIIFKERGZ-SVXFNXITSA-N 0 3 300.446 2.273 20 30 DEEDHN C=C(CC)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC001123504003 795923789 /nfs/dbraw/zinc/92/37/89/795923789.db2.gz QNFNWFJFZBYNGX-UHFFFAOYSA-N 0 3 315.417 2.289 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)o2)cc1F ZINC001123559265 795932997 /nfs/dbraw/zinc/93/29/97/795932997.db2.gz QKNJBDNNAAPOQL-UHFFFAOYSA-N 0 3 321.739 2.463 20 30 DEEDHN C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183900344 795952820 /nfs/dbraw/zinc/95/28/20/795952820.db2.gz VPZWSAQIZDTOSO-CABCVRRESA-N 0 3 300.402 2.103 20 30 DEEDHN C=CCC1(O)CN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC001123943640 796007019 /nfs/dbraw/zinc/00/70/19/796007019.db2.gz WLUANRLAQYPWFI-UHFFFAOYSA-N 0 3 314.385 2.257 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001184497800 796067095 /nfs/dbraw/zinc/06/70/95/796067095.db2.gz NCILGNASNNDBHC-KGLIPLIRSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncccc1[O-])C2 ZINC001138393854 796212797 /nfs/dbraw/zinc/21/27/97/796212797.db2.gz XNGZSDDRWHGYMT-RHSMWYFYSA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncccc1[O-])C2 ZINC001138393854 796212801 /nfs/dbraw/zinc/21/28/01/796212801.db2.gz XNGZSDDRWHGYMT-RHSMWYFYSA-N 0 3 304.390 2.113 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001185423965 796253814 /nfs/dbraw/zinc/25/38/14/796253814.db2.gz DXVWRHBEJMORGD-CRAIPNDOSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@H](NCc2ccccn2)C12CCC2 ZINC001202887715 796311527 /nfs/dbraw/zinc/31/15/27/796311527.db2.gz LXZOGRMAVNHGOD-DLBZAZTESA-N 0 3 309.413 2.012 20 30 DEEDHN Cc1cccnc1CN[C@H]1C[C@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202888775 796315575 /nfs/dbraw/zinc/31/55/75/796315575.db2.gz UCLOOYIMLUYPMV-ROUUACIJSA-N 0 3 323.440 2.320 20 30 DEEDHN C=CCC[C@H](C)NCc1cn([C@H]2CCCN(C(=O)CC)C2)nn1 ZINC001185834402 796321382 /nfs/dbraw/zinc/32/13/82/796321382.db2.gz QFYCVEMGVUTBHY-HOCLYGCPSA-N 0 3 319.453 2.296 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001185932651 796340740 /nfs/dbraw/zinc/34/07/40/796340740.db2.gz QEQMONLNUBVJPW-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(F)cc3cccnc32)C1 ZINC001186049823 796355628 /nfs/dbraw/zinc/35/56/28/796355628.db2.gz VOVXQKLHYGVTGP-OAHLLOKOSA-N 0 3 311.360 2.201 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001186412033 796399905 /nfs/dbraw/zinc/39/99/05/796399905.db2.gz JEQJTMCHZFXBPK-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110390221 796494411 /nfs/dbraw/zinc/49/44/11/796494411.db2.gz CMXQCWGGACJSRB-KURKYZTESA-N 0 3 314.429 2.419 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001187329457 796518486 /nfs/dbraw/zinc/51/84/86/796518486.db2.gz SQKOXNHEUBDWIF-MRXNPFEDSA-N 0 3 323.481 2.160 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CC2)OC(=O)c2ccncc23)cn1 ZINC001140546902 796538917 /nfs/dbraw/zinc/53/89/17/796538917.db2.gz ZESZMBYTUSJTLL-UHFFFAOYSA-N 0 3 320.352 2.010 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC001187550909 796549396 /nfs/dbraw/zinc/54/93/96/796549396.db2.gz GWYZLNYOTSJRHX-QGZVFWFLSA-N 0 3 322.408 2.294 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCOc2cc(C)ccc2C)C1 ZINC001187588542 796550298 /nfs/dbraw/zinc/55/02/98/796550298.db2.gz IALKLGQJLBMHCP-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1CC[C@@H](NCc2cccnc2)C1 ZINC001188046858 796616466 /nfs/dbraw/zinc/61/64/66/796616466.db2.gz RMEIDPUUGNHENV-LJQANCHMSA-N 0 3 319.408 2.214 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cn[nH]c1)[C@H]2CC ZINC001203089114 796625804 /nfs/dbraw/zinc/62/58/04/796625804.db2.gz RBNZYJXWVLTSSA-RDJZCZTQSA-N 0 3 302.422 2.331 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001188279161 796653667 /nfs/dbraw/zinc/65/36/67/796653667.db2.gz VGEWSJVAVGWCHR-QGZVFWFLSA-N 0 3 314.429 2.230 20 30 DEEDHN CN1CC2(C1)CCN(Cc1cc(C#N)ccc1Br)C2 ZINC001141662469 796683340 /nfs/dbraw/zinc/68/33/40/796683340.db2.gz LYGNGNMIPPBZTB-UHFFFAOYSA-N 0 3 320.234 2.458 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC001188702484 796707918 /nfs/dbraw/zinc/70/79/18/796707918.db2.gz QRDVQNIXICRVPT-INIZCTEOSA-N 0 3 306.381 2.175 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)Cc2ccsc2)C1 ZINC001188707900 796709156 /nfs/dbraw/zinc/70/91/56/796709156.db2.gz BNLNEFBZNWPJSN-OAHLLOKOSA-N 0 3 308.447 2.026 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001188821586 796727127 /nfs/dbraw/zinc/72/71/27/796727127.db2.gz RORUVXJIGIGSMH-OAHLLOKOSA-N 0 3 306.406 2.245 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccsc2)CCOCC1 ZINC001149324878 796840989 /nfs/dbraw/zinc/84/09/89/796840989.db2.gz DCWLCUBWWRJPKW-UHFFFAOYSA-N 0 3 308.447 2.327 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2ccc(C3CC3)cn2)c1 ZINC001149513395 796863344 /nfs/dbraw/zinc/86/33/44/796863344.db2.gz NPBMJKUVHFRIDC-UHFFFAOYSA-N 0 3 320.396 2.350 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](N(C)C[C@@H]2CCCCO2)C1 ZINC001189744193 796875528 /nfs/dbraw/zinc/87/55/28/796875528.db2.gz OWANBBSADJQGTP-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001149666779 796882672 /nfs/dbraw/zinc/88/26/72/796882672.db2.gz MEYYNRHGSDNCIE-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001189865787 796892962 /nfs/dbraw/zinc/89/29/62/796892962.db2.gz GSMMPHIXTWSBEJ-LBPRGKRZSA-N 0 3 312.797 2.282 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CN(CCOC2CCC2)CCCO1 ZINC001149797403 796896426 /nfs/dbraw/zinc/89/64/26/796896426.db2.gz WCEVYMXNXRZROK-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2ccc(CO)cc2)C1 ZINC001189910011 796900170 /nfs/dbraw/zinc/90/01/70/796900170.db2.gz KWCDKJNPPHLLMQ-GOSISDBHSA-N 0 3 314.429 2.015 20 30 DEEDHN C#CCCCCCC(=O)NC[C@H]1CN(CC(=C)C)CCCO1 ZINC001150090611 796919829 /nfs/dbraw/zinc/91/98/29/796919829.db2.gz GHQOHXMLPDRKCC-KRWDZBQOSA-N 0 3 306.450 2.353 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc(F)cc(F)c2)c1 ZINC001150158051 796923755 /nfs/dbraw/zinc/92/37/55/796923755.db2.gz AMQCYJDBXQFVSB-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CN(C[C@@H]2CCCCO2)CCCO1 ZINC001150212384 796929004 /nfs/dbraw/zinc/92/90/04/796929004.db2.gz QNKXEFFHTBHMBY-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)CCc2cccs2)c1 ZINC001150577780 796955290 /nfs/dbraw/zinc/95/52/90/796955290.db2.gz VYZDUHDMBZBXQR-UHFFFAOYSA-N 0 3 313.426 2.458 20 30 DEEDHN C=C(C)Cc1ccc(C(=O)N2CCOC[C@@H]2CN(C)C)cc1 ZINC001190224429 796958641 /nfs/dbraw/zinc/95/86/41/796958641.db2.gz NPEUUMSYXCBILX-KRWDZBQOSA-N 0 3 302.418 2.208 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001150614205 796960897 /nfs/dbraw/zinc/96/08/97/796960897.db2.gz UCCFYMQROJZRSR-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001190387995 796990419 /nfs/dbraw/zinc/99/04/19/796990419.db2.gz JVIUTSWKPJALQD-HNNXBMFYSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C[C@H]2CCCO2)CC1 ZINC001150970981 796996549 /nfs/dbraw/zinc/99/65/49/796996549.db2.gz USXZPTBTNXXZKD-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cc[nH]c2C)CC1 ZINC001151069211 797007841 /nfs/dbraw/zinc/00/78/41/797007841.db2.gz GKKYFOQPQMIESG-UHFFFAOYSA-N 0 3 305.422 2.110 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2CCC2(F)F)CC1 ZINC001151174727 797018604 /nfs/dbraw/zinc/01/86/04/797018604.db2.gz IRHISQHKQHYBKP-CYBMUJFWSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2[nH]ccc2C2CC2)C1 ZINC001190566818 797029878 /nfs/dbraw/zinc/02/98/78/797029878.db2.gz UODBQQHWVNIBKS-OAHLLOKOSA-N 0 3 317.433 2.241 20 30 DEEDHN C[C@H]1CC[C@@H](CCC(=O)NCCNCc2ccc(C#N)cc2)O1 ZINC001151795028 797096947 /nfs/dbraw/zinc/09/69/47/797096947.db2.gz QTNXCXRDXYBZCO-YOEHRIQHSA-N 0 3 315.417 2.112 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001190910388 797111347 /nfs/dbraw/zinc/11/13/47/797111347.db2.gz IFXLBZAGNUJEIE-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN Cc1ccc(CNCCNC(=O)CC#Cc2ccccc2)c(C)n1 ZINC001151953182 797122948 /nfs/dbraw/zinc/12/29/48/797122948.db2.gz VNAWYJGSKQGBFB-UHFFFAOYSA-N 0 3 321.424 2.346 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](CCCC)C(N)=O)CCCCC1 ZINC001151998055 797130379 /nfs/dbraw/zinc/13/03/79/797130379.db2.gz OXWLQVCNLQFLAM-HNNXBMFYSA-N 0 3 323.481 2.263 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N(C)C(C)C)CCCCC1 ZINC001152010687 797131209 /nfs/dbraw/zinc/13/12/09/797131209.db2.gz LWCVIZMGULLRBK-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)cc(C)n2)C1 ZINC001191070741 797132560 /nfs/dbraw/zinc/13/25/60/797132560.db2.gz RDKMGXFUGDKABR-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@H](C)OC ZINC001152154068 797151338 /nfs/dbraw/zinc/15/13/38/797151338.db2.gz SEMZQSLPEUULJS-OLZOCXBDSA-N 0 3 321.396 2.059 20 30 DEEDHN Cc1ccc(CCC(=O)NCCNCc2ccc(C#N)cc2)o1 ZINC001152276225 797166027 /nfs/dbraw/zinc/16/60/27/797166027.db2.gz ZNZYHZTUDXHHMZ-UHFFFAOYSA-N 0 3 311.385 2.298 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)OCc2ccccc2)C1 ZINC001191295353 797175079 /nfs/dbraw/zinc/17/50/79/797175079.db2.gz LFVYSJKMZYZXMF-DOTOQJQBSA-N 0 3 302.418 2.310 20 30 DEEDHN COc1ccc(CNCCNC(=O)C[C@H](C)C2CC2)cc1C#N ZINC001152576852 797207177 /nfs/dbraw/zinc/20/71/77/797207177.db2.gz BZLQNYRMBZLXIY-ZDUSSCGKSA-N 0 3 315.417 2.209 20 30 DEEDHN C=CCCOCC(=O)NCCNCc1ccccc1OC1CC1 ZINC001153085782 797283154 /nfs/dbraw/zinc/28/31/54/797283154.db2.gz JXYTWMUDLXSIOO-UHFFFAOYSA-N 0 3 318.417 2.026 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001191902007 797284683 /nfs/dbraw/zinc/28/46/83/797284683.db2.gz LPDYESYJRDECCW-HOTGVXAUSA-N 0 3 304.438 2.018 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001192045650 797311652 /nfs/dbraw/zinc/31/16/52/797311652.db2.gz HWOAWYSRQVRAHX-SJLPKXTDSA-N 0 3 314.429 2.062 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001153349503 797326082 /nfs/dbraw/zinc/32/60/82/797326082.db2.gz BATOPDJMLVVCET-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccn(C2CCCCC2)n1 ZINC001153355083 797327221 /nfs/dbraw/zinc/32/72/21/797327221.db2.gz TXEVKQWDBOWHEW-OAHLLOKOSA-N 0 3 316.449 2.462 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001153392991 797333137 /nfs/dbraw/zinc/33/31/37/797333137.db2.gz FDAAYLLRYDXUEG-NXHRZFHOSA-N 0 3 314.429 2.367 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(F)cc1F ZINC001153485191 797344175 /nfs/dbraw/zinc/34/41/75/797344175.db2.gz QYGVKSQYQGWZQX-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1coc(Br)c1 ZINC001153714642 797380764 /nfs/dbraw/zinc/38/07/64/797380764.db2.gz BXNIWXGNXFRTQX-SNVBAGLBSA-N 0 3 313.195 2.116 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N[C@H](C)CCC)CCCC1 ZINC001153809468 797400543 /nfs/dbraw/zinc/40/05/43/797400543.db2.gz OBSOMZQOORWJHO-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001192484423 797403512 /nfs/dbraw/zinc/40/35/12/797403512.db2.gz ODYZDBVYDBHEQK-CYZMBNFOSA-N 0 3 312.797 2.063 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001153929874 797425212 /nfs/dbraw/zinc/42/52/12/797425212.db2.gz AVXMHOHMCSKCKR-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001154112714 797466218 /nfs/dbraw/zinc/46/62/18/797466218.db2.gz NYZXZUGKHNMFIR-CABCVRRESA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC001193156801 797515939 /nfs/dbraw/zinc/51/59/39/797515939.db2.gz VNCLJLUXXMEDEN-OAHLLOKOSA-N 0 3 317.433 2.241 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1c(C)noc1C ZINC001154795839 797613434 /nfs/dbraw/zinc/61/34/34/797613434.db2.gz JYBXLGJZOUEJIB-GFCCVEGCSA-N 0 3 305.422 2.029 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](c1ccncc1)C(C)C ZINC001154850829 797626386 /nfs/dbraw/zinc/62/63/86/797626386.db2.gz LQYYZIAFBVTDMJ-WBVHZDCISA-N 0 3 301.434 2.281 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1OC ZINC001154879574 797632568 /nfs/dbraw/zinc/63/25/68/797632568.db2.gz FIIGFAZFRNVLDN-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccc(C)cc1C ZINC001155594117 797798495 /nfs/dbraw/zinc/79/84/95/797798495.db2.gz ZZELLDAPVDAKMV-UHFFFAOYSA-N 0 3 317.433 2.304 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1c(C)noc1C ZINC001155700350 797830698 /nfs/dbraw/zinc/83/06/98/797830698.db2.gz RSORCWKBTRQSIO-ZIAGYGMSSA-N 0 3 319.449 2.320 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001195100223 797832932 /nfs/dbraw/zinc/83/29/32/797832932.db2.gz NGAVGTNCIPZLJM-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001155751943 797840150 /nfs/dbraw/zinc/84/01/50/797840150.db2.gz WYCYCSBMCWLJJV-FHLIZLRMSA-N 0 3 314.429 2.259 20 30 DEEDHN C=CCOCC(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC001195284569 797870224 /nfs/dbraw/zinc/87/02/24/797870224.db2.gz YLNPWEWHMJSKSN-UHFFFAOYSA-N 0 3 322.474 2.418 20 30 DEEDHN C=CCOCC(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001195283524 797870439 /nfs/dbraw/zinc/87/04/39/797870439.db2.gz DKCSHCSJXREZBA-INIZCTEOSA-N 0 3 302.418 2.485 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCCCC=C)C[C@H]1O ZINC001195301336 797874042 /nfs/dbraw/zinc/87/40/42/797874042.db2.gz ILCCNCJXQHSRAE-QZTJIDSGSA-N 0 3 320.477 2.478 20 30 DEEDHN CN(C)CC1(NC(=O)C(=O)/C=C\c2ccc(F)cc2)CCC1 ZINC001155908585 797879784 /nfs/dbraw/zinc/87/97/84/797879784.db2.gz KAFMTFCIWWPAGZ-TWGQIWQCSA-N 0 3 304.365 2.009 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001206659335 797902685 /nfs/dbraw/zinc/90/26/85/797902685.db2.gz JVCSRMLHIKIPQK-ZMSDIMECSA-N 0 3 321.465 2.322 20 30 DEEDHN Cc1cc(CN)nn1-c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001156043229 797912340 /nfs/dbraw/zinc/91/23/40/797912340.db2.gz YKBFHFGJWONHSA-CQSZACIVSA-N 0 3 322.347 2.224 20 30 DEEDHN N#Cc1ncc(Cl)nc1N1CCNC[C@@H]1c1cccs1 ZINC001156089807 797923304 /nfs/dbraw/zinc/92/33/04/797923304.db2.gz SKTCXOLWMMKVJS-SNVBAGLBSA-N 0 3 305.794 2.214 20 30 DEEDHN CSc1nc(Cl)c(/C=N/[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001156118451 797928278 /nfs/dbraw/zinc/92/82/78/797928278.db2.gz KSWDDMCVFWHNBE-VIZOYTHASA-N 0 3 317.846 2.224 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001195567212 797930112 /nfs/dbraw/zinc/93/01/12/797930112.db2.gz MAAUNFPPIQFQIR-USXIJHARSA-N 0 3 308.466 2.330 20 30 DEEDHN CCO[C@@H](CN1CCCN(C(=O)C#CC(C)(C)C)CC1)C1CC1 ZINC001195785189 797962024 /nfs/dbraw/zinc/96/20/24/797962024.db2.gz GDLFQFCPVSVPSO-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001195842243 797975527 /nfs/dbraw/zinc/97/55/27/797975527.db2.gz KQSQONYNWSYDBR-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)COc1ccccc1 ZINC001156912751 798107044 /nfs/dbraw/zinc/10/70/44/798107044.db2.gz DQGBXHRMYIVGAI-JKSUJKDBSA-N 0 3 302.418 2.161 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001157063539 798136534 /nfs/dbraw/zinc/13/65/34/798136534.db2.gz UNEBIBHPRABLNL-HZPDHXFCSA-N 0 3 316.445 2.334 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)c1cccc(OC)c1 ZINC001157132201 798147551 /nfs/dbraw/zinc/14/75/51/798147551.db2.gz FLKQOHKYXKEPQE-HUUCEWRRSA-N 0 3 302.418 2.259 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=O)c3cccc4c(C#N)c[nH]c43)C[C@H]21 ZINC001157167842 798154018 /nfs/dbraw/zinc/15/40/18/798154018.db2.gz IQESJVAELPQFAR-MLGOLLRUSA-N 0 3 308.385 2.206 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCCNCc1oc(C(C)C)nc1C ZINC001157189518 798158853 /nfs/dbraw/zinc/15/88/53/798158853.db2.gz NBWKEXIQZFWZLH-QGZVFWFLSA-N 0 3 323.437 2.029 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H](C)OCc2ccncc2)CC1 ZINC001197203265 798160977 /nfs/dbraw/zinc/16/09/77/798160977.db2.gz ODEUFXLTGQWGGI-INIZCTEOSA-N 0 3 317.433 2.097 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1cncs1 ZINC001157622436 798244254 /nfs/dbraw/zinc/24/42/54/798244254.db2.gz KLXYCWZOEWGRBX-CQSZACIVSA-N 0 3 323.462 2.272 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccnn1C ZINC001157967839 798317413 /nfs/dbraw/zinc/31/74/13/798317413.db2.gz XIFNRWFIWKLLLF-LSDHHAIUSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001198338119 798318184 /nfs/dbraw/zinc/31/81/84/798318184.db2.gz SXBRUTQZTBLULY-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001198451722 798335847 /nfs/dbraw/zinc/33/58/47/798335847.db2.gz VBFVEWWIAMUOOM-NWANDNLSSA-N 0 3 322.474 2.495 20 30 DEEDHN C=CCCCN[C@H](CNC(=O)COC)c1ccccc1OC ZINC001198444545 798341343 /nfs/dbraw/zinc/34/13/43/798341343.db2.gz RKVOJXLUSQSHJP-OAHLLOKOSA-N 0 3 306.406 2.055 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)[C@H](C)C#N)NCC1CC1 ZINC001198616790 798367619 /nfs/dbraw/zinc/36/76/19/798367619.db2.gz JDXSHBPOYCLKBK-IUODEOHRSA-N 0 3 301.390 2.012 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)C#CC(C)C)NCCCF ZINC001198712732 798387420 /nfs/dbraw/zinc/38/74/20/798387420.db2.gz FNQHAKCXECFULM-INIZCTEOSA-N 0 3 320.408 2.461 20 30 DEEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(-n3nncc3CN)c12 ZINC001158427164 798405250 /nfs/dbraw/zinc/40/52/50/798405250.db2.gz OCWUWEPFJVMFBT-UHFFFAOYSA-N 0 3 316.727 2.247 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccncc2C1 ZINC001158474223 798412092 /nfs/dbraw/zinc/41/20/92/798412092.db2.gz STAUZLOGENNECT-FUHWJXTLSA-N 0 3 313.445 2.295 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnn(CCC)c1 ZINC001158534326 798423833 /nfs/dbraw/zinc/42/38/33/798423833.db2.gz UQEFURONEXBOOL-MRXNPFEDSA-N 0 3 304.438 2.406 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1snnc1C ZINC001158746874 798462190 /nfs/dbraw/zinc/46/21/90/798462190.db2.gz JYFKQYTTXPJEKG-UHFFFAOYSA-N 0 3 308.451 2.211 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O)c1ccccc1 ZINC001199567085 798500359 /nfs/dbraw/zinc/50/03/59/798500359.db2.gz JFRDFUMSIZSXCY-RCCFBDPRSA-N 0 3 316.445 2.306 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCCN[C@@H](C)c1cnccn1)OCC ZINC001159148314 798529085 /nfs/dbraw/zinc/52/90/85/798529085.db2.gz CRTWKPZHOXVJRU-GOEBONIOSA-N 0 3 320.437 2.005 20 30 DEEDHN C=CCOCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001199788672 798539635 /nfs/dbraw/zinc/53/96/35/798539635.db2.gz WKYZNVAYEYQPQK-DHZHZOJOSA-N 0 3 307.221 2.089 20 30 DEEDHN COCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543777 798564213 /nfs/dbraw/zinc/56/42/13/798564213.db2.gz IMTXMCJUOONAQT-OAGGEKHMSA-N 0 3 306.450 2.184 20 30 DEEDHN C#CCC1(C(=O)NCCCN[C@H](C)c2cnc(C)cn2)CCC1 ZINC001159644447 798591502 /nfs/dbraw/zinc/59/15/02/798591502.db2.gz NMNCSNAVJJRWBT-OAHLLOKOSA-N 0 3 314.433 2.136 20 30 DEEDHN COC[C@H](C)[C@@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001159686741 798596628 /nfs/dbraw/zinc/59/66/28/798596628.db2.gz VNMWWUDVIKOWKV-LSDHHAIUSA-N 0 3 317.433 2.073 20 30 DEEDHN C#CCCCC(=O)N1CCC(NCc2oc(C)nc2C)CC1 ZINC001200324873 798615137 /nfs/dbraw/zinc/61/51/37/798615137.db2.gz HTCDCFINPYWHGJ-UHFFFAOYSA-N 0 3 303.406 2.176 20 30 DEEDHN C#CCCCC(=O)N1CCC(N[C@H](C)c2cnc(C)cn2)CC1 ZINC001200324533 798615303 /nfs/dbraw/zinc/61/53/03/798615303.db2.gz AYCVNDQBGGLPQJ-OAHLLOKOSA-N 0 3 314.433 2.230 20 30 DEEDHN C#CCCCC(=O)N1CCCO[C@@H](CNCc2ccsc2)C1 ZINC001200404516 798623087 /nfs/dbraw/zinc/62/30/87/798623087.db2.gz LWXVZDNNVIQPEI-INIZCTEOSA-N 0 3 320.458 2.259 20 30 DEEDHN Cc1cc(NC(=S)NCCN2CCCCC2)cnc1C#N ZINC001200418347 798624672 /nfs/dbraw/zinc/62/46/72/798624672.db2.gz OIHQZBCZAAINDT-UHFFFAOYSA-N 0 3 303.435 2.034 20 30 DEEDHN N#Cc1cc(F)cc(NC(=S)NCCN2CCCCC2)c1 ZINC001200430180 798636491 /nfs/dbraw/zinc/63/64/91/798636491.db2.gz JNZLPQFEEZIMMY-UHFFFAOYSA-N 0 3 306.410 2.470 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccc(OCC)nc2)CC1 ZINC001160285530 798670544 /nfs/dbraw/zinc/67/05/44/798670544.db2.gz GKKZXGNAVPSIGQ-UHFFFAOYSA-N 0 3 315.417 2.418 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ncc(OC)cc2F)CC1 ZINC001160306497 798673270 /nfs/dbraw/zinc/67/32/70/798673270.db2.gz DESRTMXKMLKESV-UHFFFAOYSA-N 0 3 319.380 2.167 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(OC)c(F)c1 ZINC001160366861 798679967 /nfs/dbraw/zinc/67/99/67/798679967.db2.gz JEZQLXBEPHMUJV-UHFFFAOYSA-N 0 3 300.761 2.296 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC=CCCC2)CCCO1 ZINC001200787368 798680638 /nfs/dbraw/zinc/68/06/38/798680638.db2.gz SUIQJRCQTAXOHJ-QZTJIDSGSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccc(COC)o2)CC1 ZINC001160627656 798713232 /nfs/dbraw/zinc/71/32/32/798713232.db2.gz AWHBMESBUDHZLT-UHFFFAOYSA-N 0 3 304.390 2.364 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2c(C)cncc2C)CC1 ZINC001160658422 798716769 /nfs/dbraw/zinc/71/67/69/798716769.db2.gz VQLBZSXBTGFQNV-UHFFFAOYSA-N 0 3 311.429 2.474 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(C)nc2sccn21 ZINC001160951707 798768994 /nfs/dbraw/zinc/76/89/94/798768994.db2.gz OPUNIGROIKZYGF-UHFFFAOYSA-N 0 3 312.826 2.166 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)cc2c1CNC2=O ZINC001160953555 798770309 /nfs/dbraw/zinc/77/03/09/798770309.db2.gz FFXVVIRPOKRLQA-JTQLQIEISA-N 0 3 306.797 2.041 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CCCO1 ZINC001201577250 798773379 /nfs/dbraw/zinc/77/33/79/798773379.db2.gz WMGSLSNFGQNIET-BXWFABGCSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H](C)C2CCCCC2)CCCO1 ZINC001201619855 798779624 /nfs/dbraw/zinc/77/96/24/798779624.db2.gz BMRNFGQHNZXSIE-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001161028666 798782417 /nfs/dbraw/zinc/78/24/17/798782417.db2.gz IGIYQSOSHXNWRO-GOSISDBHSA-N 0 3 323.440 2.273 20 30 DEEDHN Cc1nsc(Nc2ccnc(N3CCN(C)CC3)c2)c1C#N ZINC001201649250 798784697 /nfs/dbraw/zinc/78/46/97/798784697.db2.gz QJTWGXBCYVJYDS-UHFFFAOYSA-N 0 3 314.418 2.214 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](C)c2ccc(C)s2)CCCO1 ZINC001201856025 798801420 /nfs/dbraw/zinc/80/14/20/798801420.db2.gz HJGMVBQCZPRPHU-HUUCEWRRSA-N 0 3 320.458 2.000 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccoc2CCC)CCCO1 ZINC001201855146 798801964 /nfs/dbraw/zinc/80/19/64/798801964.db2.gz AYSPPBUDVGZVJN-OAHLLOKOSA-N 0 3 318.417 2.076 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(CC)cc2)CCCO1 ZINC001201974290 798816179 /nfs/dbraw/zinc/81/61/79/798816179.db2.gz BLCXYKQNIJTKGE-GOSISDBHSA-N 0 3 314.429 2.093 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccc3c(c2)CCO3)CC1 ZINC001161300616 798822214 /nfs/dbraw/zinc/82/22/14/798822214.db2.gz AKMZAOVPDOTQKL-UHFFFAOYSA-N 0 3 324.424 2.397 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)CCCF)CC1 ZINC001202041354 798824145 /nfs/dbraw/zinc/82/41/45/798824145.db2.gz YDUPXMMHBQRRTK-UHFFFAOYSA-N 0 3 303.381 2.389 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NCc2cnns2)CC1 ZINC001202084579 798825014 /nfs/dbraw/zinc/82/50/14/798825014.db2.gz GGJDOAVBGWEZJI-RYUDHWBXSA-N 0 3 308.451 2.077 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC001202084705 798825116 /nfs/dbraw/zinc/82/51/16/798825116.db2.gz IENGBBMTHIXVBQ-STQMWFEESA-N 0 3 321.421 2.222 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C3CC3)no2)CC1 ZINC001161363863 798837296 /nfs/dbraw/zinc/83/72/96/798837296.db2.gz OBWXOEVEGHFFQN-UHFFFAOYSA-N 0 3 301.390 2.490 20 30 DEEDHN C=CCCCC(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC001202267114 798848275 /nfs/dbraw/zinc/84/82/75/798848275.db2.gz VHPKYBKKUBNFOK-UHFFFAOYSA-N 0 3 316.449 2.266 20 30 DEEDHN Cc1cc(C)nc(C(=O)NCCCNCc2ccccc2C#N)c1 ZINC001161583835 798891000 /nfs/dbraw/zinc/89/10/00/798891000.db2.gz YHNGIFAQSXUVEW-UHFFFAOYSA-N 0 3 322.412 2.480 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cnn(C(F)F)c2)CC1 ZINC001161591435 798892993 /nfs/dbraw/zinc/89/29/93/798892993.db2.gz XXFXKSGOHUFRNO-UHFFFAOYSA-N 0 3 322.359 2.054 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cccc(OC)n2)CC1 ZINC001161621910 798898041 /nfs/dbraw/zinc/89/80/41/798898041.db2.gz FXNFGUZOOCSEQJ-UHFFFAOYSA-N 0 3 301.390 2.028 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 ZINC001161634257 798900240 /nfs/dbraw/zinc/90/02/40/798900240.db2.gz FSJWLBYNMPVVEC-CXOKCQFOSA-N 0 3 318.392 2.349 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ncc(C)o1)C2 ZINC001110649629 798944689 /nfs/dbraw/zinc/94/46/89/798944689.db2.gz SQIPNRCDIMMWAS-OAGGEKHMSA-N 0 3 315.417 2.051 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccccc2)(COC)CC1 ZINC001162077411 799005941 /nfs/dbraw/zinc/00/59/41/799005941.db2.gz PCRYKPZUACPHJV-UHFFFAOYSA-N 0 3 314.429 2.168 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(CC)CC)(COC)CC1 ZINC001162119604 799014069 /nfs/dbraw/zinc/01/40/69/799014069.db2.gz JLYGOIVTBJMZAI-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCC2CC2)(COC)CC1 ZINC001162175908 799027752 /nfs/dbraw/zinc/02/77/52/799027752.db2.gz DFSTXIGPGLJNLY-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)CC)(COC)CC1 ZINC001162235462 799039149 /nfs/dbraw/zinc/03/91/49/799039149.db2.gz CRJWEQKJICRMJG-MRXNPFEDSA-N 0 3 308.466 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(CCC=C)CC2)(COC)CC1 ZINC001162464713 799094485 /nfs/dbraw/zinc/09/44/85/799094485.db2.gz RPOZIBJJKAHBOX-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN N#CCOc1ccc(CN2CCC3(CCOC3=O)CC2)cc1 ZINC001137121460 799197209 /nfs/dbraw/zinc/19/72/09/799197209.db2.gz MMHBPYASYHLEIK-UHFFFAOYSA-N 0 3 300.358 2.118 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1cccn1CC ZINC001162997290 799217988 /nfs/dbraw/zinc/21/79/88/799217988.db2.gz PJSNPWMPNHJAEJ-UHFFFAOYSA-N 0 3 323.440 2.416 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](C)OC2(CCN(CC=C)CC2)C1 ZINC001111541673 799238238 /nfs/dbraw/zinc/23/82/38/799238238.db2.gz ABRRNXLIXVXHEM-QGZVFWFLSA-N 0 3 318.461 2.448 20 30 DEEDHN N#Cc1ccc(CNCC2(CCNC(=O)C3CC3)CC2)c(F)c1 ZINC001163092935 799242740 /nfs/dbraw/zinc/24/27/40/799242740.db2.gz YWFJZQIDGHJXBA-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C2CCOCC2)CC1 ZINC001163121660 799251955 /nfs/dbraw/zinc/25/19/55/799251955.db2.gz OYGYWRULVISKPQ-UHFFFAOYSA-N 0 3 300.830 2.042 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COCCC)C12CCC2 ZINC001202599288 799283150 /nfs/dbraw/zinc/28/31/50/799283150.db2.gz MONSWJHIHZAIKN-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C12CCC2 ZINC001202617035 799289249 /nfs/dbraw/zinc/28/92/49/799289249.db2.gz KCEMQSDKPDGBTL-HOTGVXAUSA-N 0 3 314.433 2.268 20 30 DEEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001163650082 799394509 /nfs/dbraw/zinc/39/45/09/799394509.db2.gz KBDIVVIIZRMBQZ-DOTOQJQBSA-N 0 3 300.406 2.283 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](C)OCC2CC2)CC1 ZINC001163693245 799409004 /nfs/dbraw/zinc/40/90/04/799409004.db2.gz BNAXLTCHNAJNNV-ZDUSSCGKSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)s1)[C@H]1CCCO1 ZINC001149055689 799448848 /nfs/dbraw/zinc/44/88/48/799448848.db2.gz QOIQLEMWODZRSI-SWLSCSKDSA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1cc(CN)nn1-c1ncc(C#N)c2oc(C(C)(C)C)nc21 ZINC001163980336 799471150 /nfs/dbraw/zinc/47/11/50/799471150.db2.gz UGQNKVVTSRWLPL-UHFFFAOYSA-N 0 3 310.361 2.345 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CC[C@H]2CCOC2)CC1 ZINC001164015471 799483493 /nfs/dbraw/zinc/48/34/93/799483493.db2.gz KDYSTGWKAIIUDE-AWEZNQCLSA-N 0 3 314.857 2.432 20 30 DEEDHN CC#CCCCC(=O)NCCCNCc1cccc(OCC)n1 ZINC001164262439 799556038 /nfs/dbraw/zinc/55/60/38/799556038.db2.gz DMVFJMAVAPXQRN-UHFFFAOYSA-N 0 3 317.433 2.270 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C2 ZINC001095428925 799591472 /nfs/dbraw/zinc/59/14/72/799591472.db2.gz VAGYBNLSNJTQET-QZWWFDLISA-N 0 3 318.461 2.327 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3ccc(C)cc13)C2 ZINC001095570607 799662987 /nfs/dbraw/zinc/66/29/87/799662987.db2.gz NMMNDBJBQLWRAF-PVAVHDDUSA-N 0 3 322.412 2.001 20 30 DEEDHN N#Cc1ccc(Cl)nc1C(F)(F)n1ncc2c1CCNC2 ZINC001165218885 799676238 /nfs/dbraw/zinc/67/62/38/799676238.db2.gz LTIBTQSKDSHBDZ-UHFFFAOYSA-N 0 3 309.707 2.046 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001095697715 799698742 /nfs/dbraw/zinc/69/87/42/799698742.db2.gz XIAPJJRLVQHDBM-NJAFHUGGSA-N 0 3 309.413 2.317 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCC[C@H](C)O ZINC001110891792 799717955 /nfs/dbraw/zinc/71/79/55/799717955.db2.gz AJFHKYHGDSGVDR-JJXSEGSLSA-N 0 3 308.466 2.471 20 30 DEEDHN C=C1CCC(C(=O)NCCCNCc2cc(OC)ccn2)CC1 ZINC001165900158 799790547 /nfs/dbraw/zinc/79/05/47/799790547.db2.gz CMABDZJNTYQBGM-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2cc(OC)ccn2)CC1 ZINC001165913495 799793582 /nfs/dbraw/zinc/79/35/82/799793582.db2.gz COJDUHIWJUDIKN-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2ccon2)CCN1Cc1ccc(C#N)cc1 ZINC000947089767 799939228 /nfs/dbraw/zinc/93/92/28/799939228.db2.gz PBKBQJQDUWJYSP-XJKSGUPXSA-N 0 3 324.384 2.329 20 30 DEEDHN N#CCCOCCN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933068555 800005038 /nfs/dbraw/zinc/00/50/38/800005038.db2.gz GSYWIXYBJCCWPW-INIZCTEOSA-N 0 3 316.401 2.267 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933070862 800005743 /nfs/dbraw/zinc/00/57/43/800005743.db2.gz TXXUNIJNPZIUKD-HOCLYGCPSA-N 0 3 316.401 2.266 20 30 DEEDHN CCC#C[C@@H](C)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000933550207 800121034 /nfs/dbraw/zinc/12/10/34/800121034.db2.gz GPIQWDAFSYYGQA-CQSZACIVSA-N 0 3 320.458 2.315 20 30 DEEDHN Cc1ccc(CN2CCC(CN3CCNC3=O)CC2)cc1C#N ZINC000933582294 800130224 /nfs/dbraw/zinc/13/02/24/800130224.db2.gz QTYDVFYTGZJBGI-UHFFFAOYSA-N 0 3 312.417 2.104 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)cc1 ZINC001203901040 800143350 /nfs/dbraw/zinc/14/33/50/800143350.db2.gz DUXCVVLLJOLVLP-IRXDYDNUSA-N 0 3 321.380 2.355 20 30 DEEDHN CN1CCN(Cc2cccc(Nc3ccc(C#N)nc3)c2)CC1 ZINC001204503501 800222794 /nfs/dbraw/zinc/22/27/94/800222794.db2.gz QWIKRCYRGTXEGS-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1C)C2 ZINC001204570573 800231961 /nfs/dbraw/zinc/23/19/61/800231961.db2.gz CTVPYDBVRPOHMR-MSOLQXFVSA-N 0 3 319.449 2.302 20 30 DEEDHN CN1CCN(C)CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000933991026 800236085 /nfs/dbraw/zinc/23/60/85/800236085.db2.gz WGOWMSPJYGZJIC-INIZCTEOSA-N 0 3 306.841 2.084 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001204799288 800258683 /nfs/dbraw/zinc/25/86/83/800258683.db2.gz VUDOMGOTOXHJED-PQTFEYQYSA-N 0 3 304.221 2.293 20 30 DEEDHN C#CCCCC(=O)N1CCC(CN[C@@H](C)c2cnccn2)CC1 ZINC001205131848 800301539 /nfs/dbraw/zinc/30/15/39/800301539.db2.gz XYGVDAJPLZUKKU-HNNXBMFYSA-N 0 3 314.433 2.169 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CNCc2cc(C)ncn2)CC1 ZINC001205407705 800353643 /nfs/dbraw/zinc/35/36/43/800353643.db2.gz YWXGGTWBJRGFBL-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC ZINC000934527435 800382469 /nfs/dbraw/zinc/38/24/69/800382469.db2.gz AOQZVTHLULKSDU-HNNXBMFYSA-N 0 3 310.438 2.358 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2CCOCCC#N ZINC000934659437 800416043 /nfs/dbraw/zinc/41/60/43/800416043.db2.gz DSQXMUICZWMUMW-PBHICJAKSA-N 0 3 323.437 2.296 20 30 DEEDHN C=CCOCC(=O)NCC1(NCC(=C)Cl)CCCCC1 ZINC001115447864 800562231 /nfs/dbraw/zinc/56/22/31/800562231.db2.gz HDBMOAZCDIIJHV-UHFFFAOYSA-N 0 3 300.830 2.350 20 30 DEEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1cccc(=O)[nH]1)CC2 ZINC001207065709 800672068 /nfs/dbraw/zinc/67/20/68/800672068.db2.gz WGPIKLDRGPYECN-UHFFFAOYSA-N 0 3 317.389 2.008 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccnc(CC)n3)C2)C1=O ZINC001207086813 800679772 /nfs/dbraw/zinc/67/97/72/800679772.db2.gz VGCOHDNXDAQMKR-SFHVURJKSA-N 0 3 314.433 2.040 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1cccnc1)C2 ZINC001111101237 800718970 /nfs/dbraw/zinc/71/89/70/800718970.db2.gz QLUZGKMLNFJFIH-DDBAPUKQSA-N 0 3 311.429 2.320 20 30 DEEDHN C=CC1(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CCCCC1 ZINC000935981552 800818751 /nfs/dbraw/zinc/81/87/51/800818751.db2.gz QMUDRDRAFAOVPW-CVEARBPZSA-N 0 3 306.450 2.181 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1ccco1)C2 ZINC001111137047 800848152 /nfs/dbraw/zinc/84/81/52/800848152.db2.gz LTWDQOHNILPJCD-ABFRBSLYSA-N 0 3 300.402 2.203 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1ccco1)C2 ZINC001111137048 800848207 /nfs/dbraw/zinc/84/82/07/800848207.db2.gz LTWDQOHNILPJCD-SRABZTEZSA-N 0 3 300.402 2.203 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(N(C)C)cc2)C1 ZINC001207897687 800860276 /nfs/dbraw/zinc/86/02/76/800860276.db2.gz PQZFGZCLMAFNAK-CRAIPNDOSA-N 0 3 315.461 2.308 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207944890 800871200 /nfs/dbraw/zinc/87/12/00/800871200.db2.gz VDVPTKDPYLXSBR-LJQANCHMSA-N 0 3 308.425 2.422 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1(C)CC1)C2 ZINC001111226879 800883667 /nfs/dbraw/zinc/88/36/67/800883667.db2.gz XSGPMBCAWRDGFD-OAGGEKHMSA-N 0 3 306.450 2.491 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC[C@@H](NCc2cncc(F)c2)C1 ZINC001208010421 800891352 /nfs/dbraw/zinc/89/13/52/800891352.db2.gz JILZNSOJRLSKMB-MRXNPFEDSA-N 0 3 317.408 2.351 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cccn1)C2 ZINC001111246957 800896076 /nfs/dbraw/zinc/89/60/76/800896076.db2.gz JJVPVIILJVJXEA-JJXSEGSLSA-N 0 3 302.422 2.132 20 30 DEEDHN C=CCCOCCCCC(=O)N1CCC[C@H](NCCF)C1 ZINC001208032759 800899112 /nfs/dbraw/zinc/89/91/12/800899112.db2.gz YAQBJERSKXMAKB-HNNXBMFYSA-N 0 3 300.418 2.300 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001208176104 800924221 /nfs/dbraw/zinc/92/42/21/800924221.db2.gz ICOVMUZLAJVPJN-DJIMGWMZSA-N 0 3 306.450 2.042 20 30 DEEDHN CC1=C[C@H](C)[C@@H](CN2CCN(c3nccnc3C#N)CC2)CC1 ZINC001208181785 800924325 /nfs/dbraw/zinc/92/43/25/800924325.db2.gz QIIRBUGDIHSQJJ-JKSUJKDBSA-N 0 3 311.433 2.463 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCC(=O)NCCCC)C1 ZINC001208240823 800936900 /nfs/dbraw/zinc/93/69/00/800936900.db2.gz RQVPUGHPYXTWNY-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NCCC)C1 ZINC001208245224 800937900 /nfs/dbraw/zinc/93/79/00/800937900.db2.gz CPNINRQVBCGXRN-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001208422420 800980217 /nfs/dbraw/zinc/98/02/17/800980217.db2.gz PCNIQWMKQNIAPG-JFIYKMOQSA-N 0 3 313.445 2.425 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001208493999 800995250 /nfs/dbraw/zinc/99/52/50/800995250.db2.gz AEIQCXCCKIVZMX-NVXWUHKLSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001208498336 800996676 /nfs/dbraw/zinc/99/66/76/800996676.db2.gz QIZUBGIUACCBEO-PRLABOORSA-N 0 3 312.429 2.154 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208511887 800999742 /nfs/dbraw/zinc/99/97/42/800999742.db2.gz NFSSNUICOBMJLQ-KYJSFNMBSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001208571735 801015478 /nfs/dbraw/zinc/01/54/78/801015478.db2.gz RSICHUAAMRTYRK-QLFBSQMISA-N 0 3 322.474 2.491 20 30 DEEDHN COC(=O)[C@@H](C)CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001208720873 801054531 /nfs/dbraw/zinc/05/45/31/801054531.db2.gz NANUDGVFSCBORZ-DZGCQCFKSA-N 0 3 302.374 2.211 20 30 DEEDHN COC(=O)N1CCCN(CCCc2cccc(C#N)c2)CC1 ZINC001208843879 801077372 /nfs/dbraw/zinc/07/73/72/801077372.db2.gz ABBQNPAXXSAKIH-UHFFFAOYSA-N 0 3 301.390 2.265 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCCC(F)(F)F)C1 ZINC001208868977 801081806 /nfs/dbraw/zinc/08/18/06/801081806.db2.gz SRLOMVGMYLNWLR-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N[C@H](C)C(=O)NCCC)C1 ZINC001208920007 801093185 /nfs/dbraw/zinc/09/31/85/801093185.db2.gz ZVSQOZGVKGNMFV-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CN1CCC(CC#N)CC1 ZINC001208982061 801106390 /nfs/dbraw/zinc/10/63/90/801106390.db2.gz PNIHGTQPEXCJJC-HNNXBMFYSA-N 0 3 323.437 2.248 20 30 DEEDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CN1CCC[C@H](C#N)CC1 ZINC001208982656 801106396 /nfs/dbraw/zinc/10/63/96/801106396.db2.gz SIKAEZSFHFYPSF-GJZGRUSLSA-N 0 3 323.437 2.248 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CCN(CCOCC3CC3)CC2)C1 ZINC001229124082 801226507 /nfs/dbraw/zinc/22/65/07/801226507.db2.gz BYRWRIQZPMLCAO-UHFFFAOYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001229244002 801246955 /nfs/dbraw/zinc/24/69/55/801246955.db2.gz UVBXPUOUBGOMGF-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H](C)CC ZINC001229262771 801249995 /nfs/dbraw/zinc/24/99/95/801249995.db2.gz QZKCHHOAORFCRA-BZUAXINKSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccncc2Cl)CC1 ZINC001229322708 801257302 /nfs/dbraw/zinc/25/73/02/801257302.db2.gz SQDIBFZLBXZOMV-UHFFFAOYSA-N 0 3 323.824 2.132 20 30 DEEDHN O=C([C@H]1CC12CC2)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209808334 801290016 /nfs/dbraw/zinc/29/00/16/801290016.db2.gz KPDXJDCHYCXAKQ-ZWKOTPCHSA-N 0 3 308.425 2.419 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001209874706 801299334 /nfs/dbraw/zinc/29/93/34/801299334.db2.gz KQTAENFALAHVJR-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2coc(CCC)n2)CC1 ZINC001230024339 801350466 /nfs/dbraw/zinc/35/04/66/801350466.db2.gz JQYUBCPEVQEPCK-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C ZINC001230320063 801385826 /nfs/dbraw/zinc/38/58/26/801385826.db2.gz GNLMLIBTINYAER-HZPDHXFCSA-N 0 3 321.421 2.093 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001230659152 801453312 /nfs/dbraw/zinc/45/33/12/801453312.db2.gz NZQGVDHNNZVAJG-CQSZACIVSA-N 0 3 320.437 2.299 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001230659868 801454381 /nfs/dbraw/zinc/45/43/81/801454381.db2.gz ZUJLRNFOFMPKIK-QGZVFWFLSA-N 0 3 317.433 2.213 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@H](C)C1CC1)Cc1cccnc1 ZINC001230722403 801474895 /nfs/dbraw/zinc/47/48/95/801474895.db2.gz JNPHDASBOQZNCU-MRXNPFEDSA-N 0 3 313.445 2.459 20 30 DEEDHN CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)CSCC#N ZINC001230815403 801502538 /nfs/dbraw/zinc/50/25/38/801502538.db2.gz OAQSCKAWJICSKK-HNNXBMFYSA-N 0 3 309.479 2.356 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001211247894 801536348 /nfs/dbraw/zinc/53/63/48/801536348.db2.gz LDWJNVQOFGIQRS-HYVNUMGLSA-N 0 3 302.393 2.027 20 30 DEEDHN COC(=O)C[C@@H](C#N)c1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC001230999880 801550980 /nfs/dbraw/zinc/55/09/80/801550980.db2.gz LIFUEPDPWBAZGC-DOTOQJQBSA-N 0 3 314.385 2.330 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001211435801 801565862 /nfs/dbraw/zinc/56/58/62/801565862.db2.gz MTKPVYYQUIVWKZ-IIDMSEBBSA-N 0 3 316.420 2.464 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H](OC)C1 ZINC001213156093 801579008 /nfs/dbraw/zinc/57/90/08/801579008.db2.gz IQOQGWPYRVNENO-KLHDSHLOSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cocc2C)[C@H](OC)C1 ZINC001213273522 801588408 /nfs/dbraw/zinc/58/84/08/801588408.db2.gz SMSBHUCGHLGCCX-FVQBIDKESA-N 0 3 306.406 2.372 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@H](OC)C1 ZINC001213420925 801607686 /nfs/dbraw/zinc/60/76/86/801607686.db2.gz ANZWQYKFPLVVNQ-VXGBXAGGSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cnoc2CC)[C@H](OC)C1 ZINC001213500570 801616302 /nfs/dbraw/zinc/61/63/02/801616302.db2.gz WSBZSVUGUKDZQG-XNRPHZJLSA-N 0 3 321.421 2.021 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2csc(C)c2)[C@H](OC)C1 ZINC001213572030 801623627 /nfs/dbraw/zinc/62/36/27/801623627.db2.gz IZEIRUNSSTWSND-HUUCEWRRSA-N 0 3 308.447 2.452 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231407653 801658289 /nfs/dbraw/zinc/65/82/89/801658289.db2.gz MSDILBHNLVZURS-INIZCTEOSA-N 0 3 306.454 2.455 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2OC)CCCCC1 ZINC001213953313 801658619 /nfs/dbraw/zinc/65/86/19/801658619.db2.gz BUEFEOUHCVNTTF-HZPDHXFCSA-N 0 3 306.450 2.184 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC001231620510 801696638 /nfs/dbraw/zinc/69/66/38/801696638.db2.gz CVCBWEJFNDNIPR-UHFFFAOYSA-N 0 3 317.433 2.111 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001215429487 801860225 /nfs/dbraw/zinc/86/02/25/801860225.db2.gz FHBOQGDXFLIXRT-ZIAGYGMSSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001215930099 801919729 /nfs/dbraw/zinc/91/97/29/801919729.db2.gz OMEKBESDRLRYHT-IUODEOHRSA-N 0 3 324.856 2.161 20 30 DEEDHN Cc1cnc2n1CCC21CCN(Cc2cccc(C#N)n2)CC1 ZINC001232923932 801982627 /nfs/dbraw/zinc/98/26/27/801982627.db2.gz NTZJFLNLDMJTRQ-UHFFFAOYSA-N 0 3 307.401 2.396 20 30 DEEDHN N#Cc1cccc(CN2CC3(C2)CCN(Cc2cccnc2)C3)n1 ZINC001232923961 801983397 /nfs/dbraw/zinc/98/33/97/801983397.db2.gz ODTYAUYGQGYNCK-UHFFFAOYSA-N 0 3 319.412 2.056 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3ccc(C)o3)[C@H]2C1 ZINC001217226085 802061116 /nfs/dbraw/zinc/06/11/16/802061116.db2.gz NVODLZWBAVBSLU-UKPHBRMFSA-N 0 3 318.417 2.468 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccc(N)n1)C2 ZINC001233370296 802094965 /nfs/dbraw/zinc/09/49/65/802094965.db2.gz WKJSUEQDPLRGAW-SJLPKXTDSA-N 0 3 317.433 2.238 20 30 DEEDHN C#CCCCCC(=O)N1CCO[C@@H]2CN(CCCCC)C[C@@H]21 ZINC001217683998 802096591 /nfs/dbraw/zinc/09/65/91/802096591.db2.gz FTMVHRDRKMSINI-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C#C[C@@H](COc1cccc(Cl)c1)OC[C@@H]1COC(C)(C)N1 ZINC001217928083 802121342 /nfs/dbraw/zinc/12/13/42/802121342.db2.gz NBMJEVRUJNWHQE-KGLIPLIRSA-N 0 3 309.793 2.462 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CC(C)(C)C=C)[C@H]2C1 ZINC001218023371 802132891 /nfs/dbraw/zinc/13/28/91/802132891.db2.gz QDNLRVSTTVANPT-JKSUJKDBSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCOCCCC(=O)N(C)C[C@@H]1CCN1CC[C@@H](C)F ZINC001233491369 802133108 /nfs/dbraw/zinc/13/31/08/802133108.db2.gz XHHYUQZTAFLEEI-CABCVRRESA-N 0 3 300.418 2.250 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 ZINC001233610993 802163901 /nfs/dbraw/zinc/16/39/01/802163901.db2.gz MKARXSISKPEQCN-HNNXBMFYSA-N 0 3 304.438 2.313 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)C(F)(F)F)[C@H]2C1 ZINC001218431525 802181248 /nfs/dbraw/zinc/18/12/48/802181248.db2.gz ZFKBWXORKBEKDM-FRRDWIJNSA-N 0 3 320.355 2.063 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218454376 802185589 /nfs/dbraw/zinc/18/55/89/802185589.db2.gz FGBVEYNIUNXSEZ-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001233742694 802195323 /nfs/dbraw/zinc/19/53/23/802195323.db2.gz QYACWGISPLCZOR-CHWSQXEVSA-N 0 3 307.394 2.184 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](O)C1 ZINC001219158972 802291308 /nfs/dbraw/zinc/29/13/08/802291308.db2.gz XJHQMAKXNMEQCX-ZACQAIPSSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@@H](O)C1 ZINC001219281709 802306866 /nfs/dbraw/zinc/30/68/66/802306866.db2.gz NOFKNGKQBYIQSM-RVSUXWIQSA-N 0 3 306.450 2.250 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001234254982 802336198 /nfs/dbraw/zinc/33/61/98/802336198.db2.gz GVIOHFIHNMZGKO-QGZVFWFLSA-N 0 3 304.434 2.059 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCCCCC)C[C@@H]1O ZINC001219490635 802337927 /nfs/dbraw/zinc/33/79/27/802337927.db2.gz RSWZQLULKAFERM-SJORKVTESA-N 0 3 308.466 2.312 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccoc2Cl)[C@@H](O)C1 ZINC001219523785 802342002 /nfs/dbraw/zinc/34/20/02/802342002.db2.gz ODYZDBVYDBHEQK-RTXFEEFZSA-N 0 3 312.797 2.063 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)NCC(=O)c1ccc(OC)cc1 ZINC001219559724 802345418 /nfs/dbraw/zinc/34/54/18/802345418.db2.gz HVLGPZMOMHBTOT-INIZCTEOSA-N 0 3 318.417 2.458 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CC/C=C/CCC)C[C@@H]2O)CCC1 ZINC001219785095 802379885 /nfs/dbraw/zinc/37/98/85/802379885.db2.gz CZGMPNJGKKPRSP-NGHLMZTLSA-N 0 3 318.461 2.088 20 30 DEEDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]c(=O)nc3cccc(C#N)c31)C2 ZINC001234511441 802398040 /nfs/dbraw/zinc/39/80/40/802398040.db2.gz PYZDEIDNWOCPIA-ITGUQSILSA-N 0 3 310.357 2.211 20 30 DEEDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]c(=O)nc3cccc(C#N)c31)C2 ZINC001234511441 802398050 /nfs/dbraw/zinc/39/80/50/802398050.db2.gz PYZDEIDNWOCPIA-ITGUQSILSA-N 0 3 310.357 2.211 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@@H](O)C1 ZINC001219987700 802398538 /nfs/dbraw/zinc/39/85/38/802398538.db2.gz WPZIPYXDWUMIOC-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCC[C@H](C)O ZINC001234555870 802414681 /nfs/dbraw/zinc/41/46/81/802414681.db2.gz YVJQDFFQRCAUOO-JSGCOSHPSA-N 0 3 316.873 2.459 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC/C=C\CCC)C[C@@H]2O)C1 ZINC001220314749 802443896 /nfs/dbraw/zinc/44/38/96/802443896.db2.gz FPMOYVDLRFFLNZ-UWUBPMADSA-N 0 3 306.450 2.250 20 30 DEEDHN N#Cc1ccc(CNC(=O)[C@@H](N)C2Cc3ccccc3C2)cc1F ZINC001220449476 802462323 /nfs/dbraw/zinc/46/23/23/802462323.db2.gz WKFZZMZGEYVKSR-SFHVURJKSA-N 0 3 323.371 2.056 20 30 DEEDHN CC[C@H](CC#N)NC(=O)[C@@H](N)CSCc1ccc(OC)cc1 ZINC001220898186 802510081 /nfs/dbraw/zinc/51/00/81/802510081.db2.gz AQFLEIUEQTXSNC-HIFRSBDPSA-N 0 3 321.446 2.064 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2C)[C@@H](O)C1 ZINC001221048470 802524180 /nfs/dbraw/zinc/52/41/80/802524180.db2.gz RZCOYUOKNDCXIQ-JQHSSLGASA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001221054967 802524367 /nfs/dbraw/zinc/52/43/67/802524367.db2.gz PKHYBRQVKYWGFJ-YUELXQCFSA-N 0 3 322.474 2.440 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCC2CCCC2)[C@@H](O)C1 ZINC001221116917 802529131 /nfs/dbraw/zinc/52/91/31/802529131.db2.gz ZOOMFNNLBOPXIY-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001221752293 802610745 /nfs/dbraw/zinc/61/07/45/802610745.db2.gz MWQRHQTYERPCIM-BZUAXINKSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC(F)(F)C(F)F)[C@@H]2C1 ZINC001221817523 802618183 /nfs/dbraw/zinc/61/81/83/802618183.db2.gz WMMGMEUKXKLPKB-GHMZBOCLSA-N 0 3 308.319 2.386 20 30 DEEDHN N#Cc1cccnc1CO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001222745947 802736603 /nfs/dbraw/zinc/73/66/03/802736603.db2.gz YHPZGWCZSPPZRJ-IYBDPMFKSA-N 0 3 301.390 2.113 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CCN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001223977727 802827858 /nfs/dbraw/zinc/82/78/58/802827858.db2.gz JPWAAZCGZHPBHI-CABCVRRESA-N 0 3 313.873 2.004 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC001224701581 802895620 /nfs/dbraw/zinc/89/56/20/802895620.db2.gz ALDQLBXSMMVZAM-QGZVFWFLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC001224862996 802912772 /nfs/dbraw/zinc/91/27/72/802912772.db2.gz YZQQOGMFDVOTNR-CQSZACIVSA-N 0 3 302.418 2.461 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(C#N)c(F)c3)C[C@H]1N2C ZINC001225355172 802957444 /nfs/dbraw/zinc/95/74/44/802957444.db2.gz 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C=C(C)C[C@@H](C)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228801580 803416141 /nfs/dbraw/zinc/41/61/41/803416141.db2.gz SVNVWRARHAYULR-OAHLLOKOSA-N 0 3 318.465 2.146 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1cncs1 ZINC001368838599 1148703016 /nfs/dbraw/zinc/70/30/16/1148703016.db2.gz CZFOBCXIENGNIE-NXEZZACHSA-N 0 3 320.443 2.373 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCNCc1snnc1C ZINC001330881767 1149322668 /nfs/dbraw/zinc/32/26/68/1149322668.db2.gz CXQJSPKSSMLIFV-LLVKDONJSA-N 0 3 310.467 2.433 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](CNCc1cncn1C)C1CC1 ZINC001331336480 1149421442 /nfs/dbraw/zinc/42/14/42/1149421442.db2.gz ZVBDZCWYPBIOED-MRXNPFEDSA-N 0 3 318.465 2.349 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)C#CC(C)C)cc1F ZINC001331439738 1149453686 /nfs/dbraw/zinc/45/36/86/1149453686.db2.gz FRCGKNNWUBXEBD-CQSZACIVSA-N 0 3 320.408 2.430 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccnn1C(CC)CC ZINC001331468602 1149470545 /nfs/dbraw/zinc/47/05/45/1149470545.db2.gz DGUPZBBULVPKRA-CQSZACIVSA-N 0 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C=CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001602839796 1069774024 /nfs/dbraw/zinc/77/40/24/1069774024.db2.gz HLSDYUYTZLOTEG-UHFFFAOYSA-N 0 3 323.404 2.275 20 30 DEEDHN C=CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001602839796 1069774029 /nfs/dbraw/zinc/77/40/29/1069774029.db2.gz HLSDYUYTZLOTEG-UHFFFAOYSA-N 0 3 323.404 2.275 20 30 DEEDHN C=CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001602839796 1069774036 /nfs/dbraw/zinc/77/40/36/1069774036.db2.gz HLSDYUYTZLOTEG-UHFFFAOYSA-N 0 3 323.404 2.275 20 30 DEEDHN C=CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001602839796 1069774043 /nfs/dbraw/zinc/77/40/43/1069774043.db2.gz HLSDYUYTZLOTEG-UHFFFAOYSA-N 0 3 323.404 2.275 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001602883498 1069787103 /nfs/dbraw/zinc/78/71/03/1069787103.db2.gz AVQWMQUGUVKSLP-XHSDSOJGSA-N 0 3 311.389 2.177 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001602883498 1069787109 /nfs/dbraw/zinc/78/71/09/1069787109.db2.gz AVQWMQUGUVKSLP-XHSDSOJGSA-N 0 3 311.389 2.177 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC001524008624 1069792137 /nfs/dbraw/zinc/79/21/37/1069792137.db2.gz IATBLHOBDJRBML-ZNMIVQPWSA-N 0 3 308.422 2.453 20 30 DEEDHN C=CCCCC(=O)N1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001350921812 1151427521 /nfs/dbraw/zinc/42/75/21/1151427521.db2.gz FVZJYQSWMRUDER-QGZVFWFLSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1cccc(C#N)c1 ZINC001368968356 1148811021 /nfs/dbraw/zinc/81/10/21/1148811021.db2.gz QBEMYEALDAHDPS-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001425389210 1174305365 /nfs/dbraw/zinc/30/53/65/1174305365.db2.gz FSRNFXJLTJXKBX-MRVWCRGKSA-N 0 3 300.830 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001328619974 1148817521 /nfs/dbraw/zinc/81/75/21/1148817521.db2.gz BGEJRQZEGORVKI-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001351135462 1151474649 /nfs/dbraw/zinc/47/46/49/1151474649.db2.gz RYVHZHZFYOQUPG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccco1)N(C)Cc1cccc(C#N)c1 ZINC001369001666 1148823823 /nfs/dbraw/zinc/82/38/23/1148823823.db2.gz WVTHESKNUKBEQI-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(C)o1 ZINC001328717939 1148827813 /nfs/dbraw/zinc/82/78/13/1148827813.db2.gz DGJHVXZMZKKOEB-MRXNPFEDSA-N 0 3 320.433 2.256 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C[C@H](C)CN1CCOCC1 ZINC001459403180 1058157809 /nfs/dbraw/zinc/15/78/09/1058157809.db2.gz HEZNSYQNJGGMQJ-MRXNPFEDSA-N 0 3 304.409 2.229 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCC(=O)Nc1ccccc1 ZINC001328998345 1148855753 /nfs/dbraw/zinc/85/57/53/1148855753.db2.gz STQVISNPGDADEZ-ZIAGYGMSSA-N 0 3 303.406 2.074 20 30 DEEDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cc(C#N)ccn1 ZINC001460093181 1058260801 /nfs/dbraw/zinc/26/08/01/1058260801.db2.gz 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/nfs/dbraw/zinc/04/91/21/1066049121.db2.gz BAKGKJFLEXKGGZ-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC(C)=O ZINC001570519037 1066102689 /nfs/dbraw/zinc/10/26/89/1066102689.db2.gz YSQFRUBPIJBORL-IEBWSBKVSA-N 0 3 312.413 2.141 20 30 DEEDHN N#Cc1cc(CNC/C=C\CNC(=O)c2ccoc2)ccc1F ZINC001497523251 1066126415 /nfs/dbraw/zinc/12/64/15/1066126415.db2.gz POTALMHCSCLJHK-UPHRSURJSA-N 0 3 313.332 2.366 20 30 DEEDHN C=C(C)CCC(=O)NCCCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001497653223 1066212931 /nfs/dbraw/zinc/21/29/31/1066212931.db2.gz GNDFIWZALCFNTE-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001497723140 1066264489 /nfs/dbraw/zinc/26/44/89/1066264489.db2.gz QFWXDQZXZUKCTO-KGVXHEBISA-N 0 3 306.450 2.113 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001497741729 1066279091 /nfs/dbraw/zinc/27/90/91/1066279091.db2.gz QTOGQMQENSJXLZ-PDQWXDBPSA-N 0 3 314.404 2.342 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)Cc1ccoc1 ZINC001497805599 1066331255 /nfs/dbraw/zinc/33/12/55/1066331255.db2.gz UHOLDMAVTBCDMW-LLVKDONJSA-N 0 3 303.387 2.050 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CNCc2n[nH]c(C(C)C)n2)CCC1 ZINC001497905976 1066406483 /nfs/dbraw/zinc/40/64/83/1066406483.db2.gz VLRIZIFCKVBVGI-CYBMUJFWSA-N 0 3 319.453 2.269 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CCCn1cccc1 ZINC001497989864 1066448242 /nfs/dbraw/zinc/44/82/42/1066448242.db2.gz FXYHDNKFKRJBMN-GOSISDBHSA-N 0 3 323.440 2.414 20 30 DEEDHN C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)CSCC#N ZINC001498016117 1066459628 /nfs/dbraw/zinc/45/96/28/1066459628.db2.gz RIHRIUCMWCUHIW-RYUDHWBXSA-N 0 3 309.410 2.238 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc2ncsc2c1 ZINC001576180726 1066513235 /nfs/dbraw/zinc/51/32/35/1066513235.db2.gz IBHVDTAQIVPNMV-JQWIXIFHSA-N 0 3 302.403 2.495 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CCN(C(=O)CN(C)CCC)CC1 ZINC001576424901 1066602113 /nfs/dbraw/zinc/60/21/13/1066602113.db2.gz QDLNZPHQXRQEGN-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001498343181 1066643796 /nfs/dbraw/zinc/64/37/96/1066643796.db2.gz UCJHFILWSDWRGW-JQHSSLGASA-N 0 3 316.445 2.399 20 30 DEEDHN Cn1ncc2cc(CNCc3ccc(OCC#N)cc3)cnc21 ZINC001620782121 1066731836 /nfs/dbraw/zinc/73/18/36/1066731836.db2.gz HDNIDTRFGWBIRQ-UHFFFAOYSA-N 0 3 307.357 2.160 20 30 DEEDHN CN(CCCNCC=C(Cl)Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001498531909 1066766004 /nfs/dbraw/zinc/76/60/04/1066766004.db2.gz OXCXTLBNXUHGQW-UHFFFAOYSA-N 0 3 315.204 2.257 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001498980812 1066997816 /nfs/dbraw/zinc/99/78/16/1066997816.db2.gz XVXRWVFBOVUCEJ-ZDUSSCGKSA-N 0 3 304.438 2.478 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnc(-n2cccc2)c1 ZINC001635757594 1078457982 /nfs/dbraw/zinc/45/79/82/1078457982.db2.gz DOSNXOWUAUAEND-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC001499025646 1067036499 /nfs/dbraw/zinc/03/64/99/1067036499.db2.gz JULDAZSTXISUIY-AWEZNQCLSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001499081414 1067078156 /nfs/dbraw/zinc/07/81/56/1067078156.db2.gz AMLAVSGMRUTSJI-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)OCCNC2 ZINC001578485878 1067116269 /nfs/dbraw/zinc/11/62/69/1067116269.db2.gz RUGAAZYMFQVFSN-UHFFFAOYSA-N 0 3 321.380 2.312 20 30 DEEDHN CC#CCNC1(CNC(=O)c2nc3ccccc3cc2C)CC1 ZINC001499294358 1067173657 /nfs/dbraw/zinc/17/36/57/1067173657.db2.gz NKAOUAASWDSPJL-UHFFFAOYSA-N 0 3 307.397 2.419 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001578928265 1067203383 /nfs/dbraw/zinc/20/33/83/1067203383.db2.gz JFEQUAMUFFWKST-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C/C=C(\C)C(=O)N1CCCC[C@@H]1[C@@H]1CCN(CC#CCOC)C1 ZINC001499481253 1067234431 /nfs/dbraw/zinc/23/44/31/1067234431.db2.gz NGNPJAMGEFXJCZ-NPDGSECDSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cnn(CCC(C)C)c1C ZINC001483406274 1078513694 /nfs/dbraw/zinc/51/36/94/1078513694.db2.gz VWPGIRUUGVASRD-CQSZACIVSA-N 0 3 306.454 2.474 20 30 DEEDHN N[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCC1 ZINC001580111685 1067496545 /nfs/dbraw/zinc/49/65/45/1067496545.db2.gz JQMSNYOIGSDIQV-CQSZACIVSA-N 0 3 310.319 2.301 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NCc2cnns2)C1 ZINC001267080527 1078555145 /nfs/dbraw/zinc/55/51/45/1078555145.db2.gz AULOXZUWBQNTPD-QWHCGFSZSA-N 0 3 308.451 2.411 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)c1cccnc1 ZINC001483539918 1078583480 /nfs/dbraw/zinc/58/34/80/1078583480.db2.gz IKTGYSTXOGXRQO-IBGZPJMESA-N 0 3 319.408 2.231 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1cc(C)n(C)n1 ZINC001267139828 1078608320 /nfs/dbraw/zinc/60/83/20/1078608320.db2.gz LVLMYRHIETWZAT-CYBMUJFWSA-N 0 3 306.454 2.315 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@H]1CCCNC(=O)CC(C)(C)C ZINC001267160230 1078623011 /nfs/dbraw/zinc/62/30/11/1078623011.db2.gz DDNOXDRCGCYOFV-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCNCCN(C)C(=O)C(C)(C)c1ccccc1OC ZINC001267150235 1078614640 /nfs/dbraw/zinc/61/46/40/1078614640.db2.gz PKMMHZYVCKKXNV-UHFFFAOYSA-N 0 3 302.418 2.044 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001570534364 1067989301 /nfs/dbraw/zinc/98/93/01/1067989301.db2.gz IFDUSYBVLNIXHG-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnc2cnccc2c1 ZINC001570535707 1067991095 /nfs/dbraw/zinc/99/10/95/1067991095.db2.gz DQRCHODRMVGXAE-INIZCTEOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1sc(N(C)C)nc1C ZINC001570541823 1067995731 /nfs/dbraw/zinc/99/57/31/1067995731.db2.gz LFALICHSAYBUNM-CYBMUJFWSA-N 0 3 322.478 2.240 20 30 DEEDHN C=C1CC(C)(C(=O)NCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001510065486 1068018547 /nfs/dbraw/zinc/01/85/47/1068018547.db2.gz PVHLORISJXKDOX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C2CC2)[nH]c1=O ZINC001640019810 1078637194 /nfs/dbraw/zinc/63/71/94/1078637194.db2.gz JQCJLRKEQDBORY-UHFFFAOYSA-N 0 3 303.406 2.245 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC001570749249 1068107350 /nfs/dbraw/zinc/10/73/50/1068107350.db2.gz QDINPIKNNBSQNA-UONOGXRCSA-N 0 3 308.397 2.353 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)C(C)=C1CCC1 ZINC001570810519 1068123815 /nfs/dbraw/zinc/12/38/15/1068123815.db2.gz QTTYHJMYRGXHFG-QGZVFWFLSA-N 0 3 306.450 2.401 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001510608291 1068161214 /nfs/dbraw/zinc/16/12/14/1068161214.db2.gz CCGJPCCCQUIWOD-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2F)C1 ZINC001571095081 1068180900 /nfs/dbraw/zinc/18/09/00/1068180900.db2.gz NXCKUNKDXROOJX-JOCQHMNTSA-N 0 3 324.371 2.152 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001571328951 1068224917 /nfs/dbraw/zinc/22/49/17/1068224917.db2.gz MDKIZHRYHQJTCT-OAHLLOKOSA-N 0 3 323.481 2.131 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@@H]2CCc3c2cccc3F)CC1 ZINC001670755256 1078672723 /nfs/dbraw/zinc/67/27/23/1078672723.db2.gz LGDMOACTUUEWPJ-MRXNPFEDSA-N 0 3 318.392 2.254 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2cccnc2)cc1 ZINC001571398981 1068275264 /nfs/dbraw/zinc/27/52/64/1068275264.db2.gz ICANUTSJVDYNKV-HNNXBMFYSA-N 0 3 307.397 2.313 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001571447935 1068296106 /nfs/dbraw/zinc/29/61/06/1068296106.db2.gz LNXFKYKCSJJYAO-CYBMUJFWSA-N 0 3 310.825 2.330 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCN(CC)Cc1cc(C)sc1C ZINC001267241435 1078691719 /nfs/dbraw/zinc/69/17/19/1078691719.db2.gz XLIOFCBSSISOPA-AWEZNQCLSA-N 0 3 322.474 2.341 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001267242273 1078692942 /nfs/dbraw/zinc/69/29/42/1078692942.db2.gz ZNPSHESDMBXMHW-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccc2n[n-]nc21 ZINC001267242273 1078692944 /nfs/dbraw/zinc/69/29/44/1078692944.db2.gz ZNPSHESDMBXMHW-CYBMUJFWSA-N 0 3 315.421 2.364 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2nccc3ccccc32)C1 ZINC001571485283 1068341812 /nfs/dbraw/zinc/34/18/12/1068341812.db2.gz PHGYBMDICBRFFO-GOEBONIOSA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)OCC(C)C)CCC[C@@H]12 ZINC001571497081 1068357001 /nfs/dbraw/zinc/35/70/01/1068357001.db2.gz MAFXWQZOZBPKFG-LZLYRXPVSA-N 0 3 306.450 2.184 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001649447451 1078702713 /nfs/dbraw/zinc/70/27/13/1078702713.db2.gz BGSXDDRRUJLYGR-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(C)N(CCCNC(=O)C#CC1CC1)Cc1ccc(F)cn1 ZINC001267256902 1078703298 /nfs/dbraw/zinc/70/32/98/1078703298.db2.gz HKHMARGRWNFFLN-UHFFFAOYSA-N 0 3 317.408 2.351 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](NCC(=O)NC(CC)CC)C(C)(C)C1 ZINC001571554587 1068417663 /nfs/dbraw/zinc/41/76/63/1068417663.db2.gz LAAAUCQQJZMRDY-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@@H](NCCF)C(C)(C)C1)OCC ZINC001571558929 1068420050 /nfs/dbraw/zinc/42/00/50/1068420050.db2.gz UHCZGJMRWBEPME-ZIAGYGMSSA-N 0 3 300.418 2.154 20 30 DEEDHN C=CCC(CC=C)C(=O)N(C)C1CC(NCc2ccnn2C)C1 ZINC001279235682 1078714730 /nfs/dbraw/zinc/71/47/30/1078714730.db2.gz HZAUWUVAOVZIQU-UHFFFAOYSA-N 0 3 316.449 2.268 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](OCC)C(C)C)CC1 ZINC001571648177 1068458225 /nfs/dbraw/zinc/45/82/25/1068458225.db2.gz HNQLPDNFHQSMHM-DOTOQJQBSA-N 0 3 308.466 2.288 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CCN(Cc2c(C)noc2C)C1 ZINC001267299787 1078745716 /nfs/dbraw/zinc/74/57/16/1078745716.db2.gz FLZQNTNCONZPJL-MRXNPFEDSA-N 0 3 317.433 2.423 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001267299650 1078746278 /nfs/dbraw/zinc/74/62/78/1078746278.db2.gz ZYXJGYFSAAGGHB-HNNXBMFYSA-N 0 3 310.397 2.437 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001267303748 1078749532 /nfs/dbraw/zinc/74/95/32/1078749532.db2.gz AKLPHOLTVRKPJG-MRXNPFEDSA-N 0 3 309.413 2.021 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001267319811 1078761835 /nfs/dbraw/zinc/76/18/35/1078761835.db2.gz QRMNAMWQZBWNSQ-UHFFFAOYSA-N 0 3 304.438 2.172 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001483666671 1078764431 /nfs/dbraw/zinc/76/44/31/1078764431.db2.gz UXWVRKKLMZHIKG-HIFRSBDPSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001572642664 1068860782 /nfs/dbraw/zinc/86/07/82/1068860782.db2.gz KJXYTJLDGKEPLC-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC001515371606 1068872077 /nfs/dbraw/zinc/87/20/77/1068872077.db2.gz NOFSKOJLRSCVOE-CZUORRHYSA-N 0 3 314.385 2.275 20 30 DEEDHN C=C[C@H](O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC(C)C ZINC001517406581 1068966895 /nfs/dbraw/zinc/96/68/95/1068966895.db2.gz YOBZMJDJJMDMOO-KFWWJZLASA-N 0 3 321.469 2.072 20 30 DEEDHN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](N)C(C)(C)C ZINC001573306910 1068983853 /nfs/dbraw/zinc/98/38/53/1068983853.db2.gz PAXSFCGUWZAZSK-OAHLLOKOSA-N 0 3 310.401 2.495 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC12CC2 ZINC001267433724 1078848391 /nfs/dbraw/zinc/84/83/91/1078848391.db2.gz YIZLDWFGIBLSGC-CQSZACIVSA-N 0 3 301.365 2.045 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncccc2NCC)CC1 ZINC001520970203 1069194032 /nfs/dbraw/zinc/19/40/32/1069194032.db2.gz UZROTXVGBNKFJX-UHFFFAOYSA-N 0 3 302.422 2.284 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)NCc1nnc2n1CCCC2 ZINC001521446981 1069242666 /nfs/dbraw/zinc/24/26/66/1069242666.db2.gz VCCOUDZMUUCUSR-CQSZACIVSA-N 0 3 321.469 2.309 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN[C@H](c2ccc(CC)cc2)C1 ZINC001574902743 1069291791 /nfs/dbraw/zinc/29/17/91/1069291791.db2.gz FGFJRPUPHRKNNH-ROUUACIJSA-N 0 3 315.461 2.406 20 30 DEEDHN Cc1cc[nH]c1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483731464 1078899322 /nfs/dbraw/zinc/89/93/22/1078899322.db2.gz XVENPDPABCHLJR-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001540832874 1072431054 /nfs/dbraw/zinc/43/10/54/1072431054.db2.gz ZWTQXFPRIPNKIM-HKUYNNGSSA-N 0 3 316.445 2.267 20 30 DEEDHN CN(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001542887635 1072469371 /nfs/dbraw/zinc/46/93/71/1072469371.db2.gz SFXOXCBHBUEHKW-HUXQLNKYSA-N 0 3 318.392 2.397 20 30 DEEDHN CCCCCCCN1CCC[C@@]12CCN(CC(=O)NCC)C2=O ZINC001272475953 1078908089 /nfs/dbraw/zinc/90/80/89/1078908089.db2.gz HTUOGZZLCMNAOW-SFHVURJKSA-N 0 3 323.481 2.160 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C#CC3CC3)CC2)cc1C ZINC001483732856 1078909504 /nfs/dbraw/zinc/90/95/04/1078909504.db2.gz NQQSUOZPILJDKP-UHFFFAOYSA-N 0 3 312.413 2.155 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1N(C)C ZINC001645572088 1078922544 /nfs/dbraw/zinc/92/25/44/1078922544.db2.gz OBNBSUDYKPJIST-LSDHHAIUSA-N 0 3 321.446 2.018 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)CC(C)(C)C2CC2)C1 ZINC001267523986 1078953118 /nfs/dbraw/zinc/95/31/18/1078953118.db2.gz MUCSKQJJSJEXLI-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H]1CCN(Cc2cnc(C)o2)C1 ZINC001267523513 1078953241 /nfs/dbraw/zinc/95/32/41/1078953241.db2.gz JGCJTIOAGMJSAR-OAHLLOKOSA-N 0 3 303.406 2.115 20 30 DEEDHN C#CCCCC(=O)NCC[C@H]1CCN(Cc2cnc(C)o2)C1 ZINC001267523512 1078953745 /nfs/dbraw/zinc/95/37/45/1078953745.db2.gz JGCJTIOAGMJSAR-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN COCC#CC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001329313652 1148883598 /nfs/dbraw/zinc/88/35/98/1148883598.db2.gz YTWIOLGWFZFQIP-SFHVURJKSA-N 0 3 316.445 2.254 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001481033760 1079099086 /nfs/dbraw/zinc/09/90/86/1079099086.db2.gz WTURAFDMIIPFTI-KSSFIOAISA-N 0 3 311.429 2.416 20 30 DEEDHN CC#CCNC1(CNC(=O)c2csc(-c3ccoc3)n2)CC1 ZINC001483776568 1079115453 /nfs/dbraw/zinc/11/54/53/1079115453.db2.gz WGKTZEGWKXBBET-UHFFFAOYSA-N 0 3 315.398 2.278 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)C[C@H]1CCOC1 ZINC001272675461 1079112145 /nfs/dbraw/zinc/11/21/45/1079112145.db2.gz MHXHSBBYXKTTMP-OAHLLOKOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001649438660 1079118361 /nfs/dbraw/zinc/11/83/61/1079118361.db2.gz IQKUJSAWYBRQFC-VSBTWAGUSA-N 0 3 305.426 2.013 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2CCC(C3CC3)CC2)CC1 ZINC001483787990 1079121858 /nfs/dbraw/zinc/12/18/58/1079121858.db2.gz HZBDIPSPWVOKRS-UHFFFAOYSA-N 0 3 318.461 2.091 20 30 DEEDHN C=CCCC(=O)N1CCC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC001483835276 1079143507 /nfs/dbraw/zinc/14/35/07/1079143507.db2.gz NLDONZLCCGEORI-UHFFFAOYSA-N 0 3 316.449 2.201 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CCCn3cccc3)C2)C1 ZINC001483847844 1079148853 /nfs/dbraw/zinc/14/88/53/1079148853.db2.gz MSCXFZFQYOJJAW-IBGZPJMESA-N 0 3 313.445 2.216 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN([C@@H](CCCC)C(N)=O)C1 ZINC001481104621 1079189234 /nfs/dbraw/zinc/18/92/34/1079189234.db2.gz DDHRIGLVBLCLIB-CABCVRRESA-N 0 3 323.481 2.071 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCc1cncn1C ZINC001483944082 1079200801 /nfs/dbraw/zinc/20/08/01/1079200801.db2.gz OEXSJFJUKVVPBN-GJZGRUSLSA-N 0 3 304.438 2.103 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)Cc2ccccc2F)CC1 ZINC001483974395 1079220544 /nfs/dbraw/zinc/22/05/44/1079220544.db2.gz BRCUNFGASXDWLG-UHFFFAOYSA-N 0 3 302.393 2.362 20 30 DEEDHN C#CCN(C(=O)c1cccn2nccc12)C1CCN(CC=C)CC1 ZINC001483984055 1079226648 /nfs/dbraw/zinc/22/66/48/1079226648.db2.gz QLLSXHOPNANSMH-UHFFFAOYSA-N 0 3 322.412 2.060 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1c(C)nn(CCC)c1C ZINC001481151699 1079260856 /nfs/dbraw/zinc/26/08/56/1079260856.db2.gz OYLRMBABFBXORX-UHFFFAOYSA-N 0 3 318.465 2.375 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2cc(C)ccc2F)C1 ZINC001484044212 1079263025 /nfs/dbraw/zinc/26/30/25/1079263025.db2.gz QKLIUBOCVFXPFX-QGZVFWFLSA-N 0 3 306.381 2.280 20 30 DEEDHN Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001646678176 1074545860 /nfs/dbraw/zinc/54/58/60/1074545860.db2.gz ZSXDXDKSESYGRK-UONOGXRCSA-N 0 3 316.453 2.000 20 30 DEEDHN C=C(Cl)CNC[C@@]1(C)CCN(C(=O)CCCC(C)=O)C1 ZINC001484079733 1079294157 /nfs/dbraw/zinc/29/41/57/1079294157.db2.gz AVEGVTMYJCACGQ-OAHLLOKOSA-N 0 3 300.830 2.326 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001646796574 1074622921 /nfs/dbraw/zinc/62/29/21/1074622921.db2.gz BOBAVTYSKLONAX-LPEHRKFASA-N 0 3 314.735 2.073 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC001649919537 1079303015 /nfs/dbraw/zinc/30/30/15/1079303015.db2.gz CWBUARCVCUGIRM-GOEBONIOSA-N 0 3 322.355 2.419 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001484140954 1079324637 /nfs/dbraw/zinc/32/46/37/1079324637.db2.gz QHZPMBJMBIRQFE-INIZCTEOSA-N 0 3 320.477 2.291 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC001649983206 1079337430 /nfs/dbraw/zinc/33/74/30/1079337430.db2.gz VRLFCONCERYYKW-LBPRGKRZSA-N 0 3 321.808 2.305 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccn3nccc23)C1 ZINC001484164589 1079339488 /nfs/dbraw/zinc/33/94/88/1079339488.db2.gz YTXVIRPTFPFMAN-LJQANCHMSA-N 0 3 324.428 2.190 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCN(CC#CC)C1 ZINC001566874740 1075004771 /nfs/dbraw/zinc/00/47/71/1075004771.db2.gz HCWYZOBNDRZNKU-WMZOPIPTSA-N 0 3 306.450 2.067 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](CNCc2cnns2)C1 ZINC001566905711 1075006544 /nfs/dbraw/zinc/00/65/44/1075006544.db2.gz FKZLRPPJTFOZQJ-ZDUSSCGKSA-N 0 3 322.478 2.469 20 30 DEEDHN N#Cc1ccc(NCCNCc2cnc(Cl)c(F)c2)nc1 ZINC001648765579 1075009140 /nfs/dbraw/zinc/00/91/40/1075009140.db2.gz NZVZSUWDWTZGIK-UHFFFAOYSA-N 0 3 305.744 2.342 20 30 DEEDHN Cc1nn(C)cc1CCC(=O)C(C#N)c1ncc(F)cc1F ZINC001649270646 1075012848 /nfs/dbraw/zinc/01/28/48/1075012848.db2.gz MUPUKLOHMDWXLB-LBPRGKRZSA-N 0 3 304.300 2.211 20 30 DEEDHN C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)nn1 ZINC001565827298 1075015229 /nfs/dbraw/zinc/01/52/29/1075015229.db2.gz ABYBJBLBCGHZFY-HNNXBMFYSA-N 0 3 319.453 2.047 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001329395045 1148891130 /nfs/dbraw/zinc/89/11/30/1148891130.db2.gz DHQHETWEBDKYAW-CQSZACIVSA-N 0 3 308.397 2.273 20 30 DEEDHN N#Cc1cccc([N+](=O)[O-])c1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001559270350 1075117824 /nfs/dbraw/zinc/11/78/24/1075117824.db2.gz NRMKOMSQTIWYRQ-OAHLLOKOSA-N 0 3 324.340 2.323 20 30 DEEDHN C#C[C@H](NCCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCO1 ZINC001559769721 1075128726 /nfs/dbraw/zinc/12/87/26/1075128726.db2.gz RTWNWIZIUBQDKH-QWHCGFSZSA-N 0 3 309.312 2.321 20 30 DEEDHN C#CCOCCN1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001559819391 1075129027 /nfs/dbraw/zinc/12/90/27/1075129027.db2.gz VJDFUPQVHCLASV-QGZVFWFLSA-N 0 3 322.449 2.359 20 30 DEEDHN C=CC[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccncc1 ZINC001560338779 1075137815 /nfs/dbraw/zinc/13/78/15/1075137815.db2.gz MJMTYQMHCUGOSA-MRXNPFEDSA-N 0 3 317.414 2.136 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccc4cnccc4c3)C2)C1 ZINC001565498679 1075179565 /nfs/dbraw/zinc/17/95/65/1075179565.db2.gz XISPEPYHGJPOOY-UHFFFAOYSA-N 0 3 321.424 2.498 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC001565904619 1075204905 /nfs/dbraw/zinc/20/49/05/1075204905.db2.gz JMMBPBSMCLMROA-LSDHHAIUSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(C)(C)C ZINC001565961274 1075210664 /nfs/dbraw/zinc/21/06/64/1075210664.db2.gz PSXSVYGLCIUKOU-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C[C@@H](O)c2ccccc2)[C@@H]1C ZINC001566082476 1075225867 /nfs/dbraw/zinc/22/58/67/1075225867.db2.gz CTEFFQWEQRKYJE-HYVNUMGLSA-N 0 3 302.418 2.265 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H](C)CCc2ccccc2F)C1 ZINC001267692335 1079379749 /nfs/dbraw/zinc/37/97/49/1079379749.db2.gz CATWXYGRTHDDOM-OAHLLOKOSA-N 0 3 316.420 2.466 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001267695221 1079384983 /nfs/dbraw/zinc/38/49/83/1079384983.db2.gz ODLGWOZOGVCQHY-FQEVSTJZSA-N 0 3 310.441 2.352 20 30 DEEDHN C#CCCN1CCN(CCCNC(=O)CCC2CCCC2)CC1 ZINC001566635438 1075302835 /nfs/dbraw/zinc/30/28/35/1075302835.db2.gz GGZQGXWTAGHTFQ-UHFFFAOYSA-N 0 3 319.493 2.104 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001566662118 1075308205 /nfs/dbraw/zinc/30/82/05/1075308205.db2.gz HJVHXXPDTSPFPM-SJLPKXTDSA-N 0 3 314.429 2.032 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(COC)CCCCC2)CC1 ZINC001566689493 1075318942 /nfs/dbraw/zinc/31/89/42/1075318942.db2.gz OKYSSOJTWIHPKH-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001267700668 1079388254 /nfs/dbraw/zinc/38/82/54/1079388254.db2.gz GLUQLKXSUONQTM-UHFFFAOYSA-N 0 3 310.441 2.488 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCCOCc2ccccc2)C1 ZINC001566772582 1075340461 /nfs/dbraw/zinc/34/04/61/1075340461.db2.gz ZFOCSCLWSMGSLD-SFHVURJKSA-N 0 3 314.429 2.197 20 30 DEEDHN Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001566790359 1075345300 /nfs/dbraw/zinc/34/53/00/1075345300.db2.gz KDMXIOOFKINOKD-HDJSIYSDSA-N 0 3 303.406 2.078 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566848379 1075360824 /nfs/dbraw/zinc/36/08/24/1075360824.db2.gz LBCSAGSGVCYZRI-OWCLPIDISA-N 0 3 306.356 2.162 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cnc(C)cn2)C1 ZINC001566850929 1075361843 /nfs/dbraw/zinc/36/18/43/1075361843.db2.gz XXWAJPFVFFCGHD-SOUVJXGZSA-N 0 3 302.422 2.439 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001566877669 1075372271 /nfs/dbraw/zinc/37/22/71/1075372271.db2.gz CRYZUNNFJLWNRX-CVEARBPZSA-N 0 3 302.418 2.310 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)COc1ccc(F)cc1 ZINC001566930119 1075390294 /nfs/dbraw/zinc/39/02/94/1075390294.db2.gz QNGOYKYHWAKNNM-INIZCTEOSA-N 0 3 318.392 2.199 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 ZINC001567196389 1075460419 /nfs/dbraw/zinc/46/04/19/1075460419.db2.gz KIRZYXVWEGNSLY-AWEZNQCLSA-N 0 3 303.406 2.358 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC001567200017 1075462446 /nfs/dbraw/zinc/46/24/46/1075462446.db2.gz PCJIZDUCPXNROA-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)c1ccns1 ZINC001481237120 1079447653 /nfs/dbraw/zinc/44/76/53/1079447653.db2.gz WLULFYSAHSFADW-UHFFFAOYSA-N 0 3 318.377 2.016 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)Cc2ccsc2)C1 ZINC001267755939 1079457144 /nfs/dbraw/zinc/45/71/44/1079457144.db2.gz VGLMQLRHUQBWRA-OAHLLOKOSA-N 0 3 308.447 2.026 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001267773301 1079482774 /nfs/dbraw/zinc/48/27/74/1079482774.db2.gz LHPZLJWZPSVEHF-IXDOHACOSA-N 0 3 306.450 2.158 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)OCc2ccncc2)C1 ZINC001267772210 1079480458 /nfs/dbraw/zinc/48/04/58/1079480458.db2.gz TZSNVZZFFYHAKZ-RDJZCZTQSA-N 0 3 317.433 2.096 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCn2cccn2)C1 ZINC001267788827 1079496916 /nfs/dbraw/zinc/49/69/16/1079496916.db2.gz BYJAWTCDPXWKGZ-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2cc(C)on2)C1 ZINC001267790345 1079496987 /nfs/dbraw/zinc/49/69/87/1079496987.db2.gz KKPXTVVIBVFBSB-INIZCTEOSA-N 0 3 305.422 2.415 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001580838959 1076006755 /nfs/dbraw/zinc/00/67/55/1076006755.db2.gz XCVZRLFHHXTHNK-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001582475537 1076155065 /nfs/dbraw/zinc/15/50/65/1076155065.db2.gz ZXIQVEGVAYGWJB-RHSMWYFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001583734264 1076274308 /nfs/dbraw/zinc/27/43/08/1076274308.db2.gz MMBVZDNPYRRIFF-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001585858194 1076374908 /nfs/dbraw/zinc/37/49/08/1076374908.db2.gz SNAZKCANQMRJJL-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)CCN1C ZINC001586631516 1076402996 /nfs/dbraw/zinc/40/29/96/1076402996.db2.gz OBZNYAOBJYTCSH-OKZVOGLASA-N 0 3 318.392 2.349 20 30 DEEDHN C#CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001588346007 1076442988 /nfs/dbraw/zinc/44/29/88/1076442988.db2.gz YBJIWDWWGODFLZ-UHFFFAOYSA-N 0 3 309.295 2.389 20 30 DEEDHN C#CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001588346007 1076442992 /nfs/dbraw/zinc/44/29/92/1076442992.db2.gz YBJIWDWWGODFLZ-UHFFFAOYSA-N 0 3 309.295 2.389 20 30 DEEDHN CC(C)([NH2+]CCCSCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589321953 1076485640 /nfs/dbraw/zinc/48/56/40/1076485640.db2.gz ZRUJJBQQSRPHFX-UHFFFAOYSA-N 0 3 316.434 2.338 20 30 DEEDHN CC(C)([NH2+]CCCSCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589321953 1076485643 /nfs/dbraw/zinc/48/56/43/1076485643.db2.gz ZRUJJBQQSRPHFX-UHFFFAOYSA-N 0 3 316.434 2.338 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001329462099 1148898017 /nfs/dbraw/zinc/89/80/17/1148898017.db2.gz XCZQJIMGUHYQAM-OLZOCXBDSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001609051511 1077748150 /nfs/dbraw/zinc/74/81/50/1077748150.db2.gz DLIRQTLXBBBXHS-UHFFFAOYSA-N 0 3 313.409 2.023 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@H]1CCOC1)c1ccccc1CC ZINC001484324006 1079539339 /nfs/dbraw/zinc/53/93/39/1079539339.db2.gz KFVXFYIAPQDFHW-DOTOQJQBSA-N 0 3 302.418 2.218 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCOC1)c1ccccc1CC ZINC001484324009 1079539471 /nfs/dbraw/zinc/53/94/71/1079539471.db2.gz KFVXFYIAPQDFHW-WBVHZDCISA-N 0 3 302.418 2.218 20 30 DEEDHN C=C(C)C[NH2+]C[C@@]1(NC(=O)c2cnc[n-]c2=O)CCCC[C@@H]1C ZINC001267869332 1079556428 /nfs/dbraw/zinc/55/64/28/1079556428.db2.gz CUYZEZAFMMJOQQ-GUYCJALGSA-N 0 3 318.421 2.027 20 30 DEEDHN C[C@@H]1c2ccsc2CCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001650358135 1079556888 /nfs/dbraw/zinc/55/68/88/1079556888.db2.gz KLLOQMICJQGDOB-QGXCKBJSSA-N 0 3 315.442 2.333 20 30 DEEDHN C[C@H]1c2ccsc2CCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001650358092 1079557192 /nfs/dbraw/zinc/55/71/92/1079557192.db2.gz KLLOQMICJQGDOB-BBYOUEMTSA-N 0 3 315.442 2.333 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001272682012 1079566844 /nfs/dbraw/zinc/56/68/44/1079566844.db2.gz FPSZXOITTSSZMQ-PKOBYXMFSA-N 0 3 314.429 2.347 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNCc1nccs1 ZINC001484369245 1079570973 /nfs/dbraw/zinc/57/09/73/1079570973.db2.gz WMHLBTLPJOMJSK-UONOGXRCSA-N 0 3 319.474 2.377 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc3c(s1)CNCC3)C2 ZINC001650379462 1079573809 /nfs/dbraw/zinc/57/38/09/1079573809.db2.gz COTMQDQSPMIBBR-OAHLLOKOSA-N 0 3 323.421 2.163 20 30 DEEDHN C[C@@H](C(=O)N(C)CCNCc1ccc(C#N)cc1)C(C)(F)F ZINC001481281461 1079616336 /nfs/dbraw/zinc/61/63/36/1079616336.db2.gz PAFXWMJPAVJHMQ-LBPRGKRZSA-N 0 3 309.360 2.398 20 30 DEEDHN Cc1noc(C)c1CNCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001484519339 1079639677 /nfs/dbraw/zinc/63/96/77/1079639677.db2.gz AHWSZIUTQJRUTO-INIZCTEOSA-N 0 3 315.417 2.033 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001481290358 1079655374 /nfs/dbraw/zinc/65/53/74/1079655374.db2.gz ISWADCUKVBMAPZ-JKSUJKDBSA-N 0 3 315.392 2.291 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)c(F)c1 ZINC001272686169 1079681451 /nfs/dbraw/zinc/68/14/51/1079681451.db2.gz ISERGVHIBRSTHD-IAGOWNOFSA-N 0 3 300.377 2.333 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805873 1079682408 /nfs/dbraw/zinc/68/24/08/1079682408.db2.gz LZCGLLFUQYDLIY-YVSFHVDLSA-N 0 3 318.848 2.321 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1cnc(C)cn1 ZINC001268001459 1079683623 /nfs/dbraw/zinc/68/36/23/1079683623.db2.gz CHDUACKEBRCMEN-SUMWQHHRSA-N 0 3 304.438 2.229 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)N(CC)CC ZINC001484614465 1079687394 /nfs/dbraw/zinc/68/73/94/1079687394.db2.gz ZYIOWCTYUNEWRN-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2ccc3[nH]ccc3c2)CCC1 ZINC001484643457 1079701405 /nfs/dbraw/zinc/70/14/05/1079701405.db2.gz ZZRZMMCXDDJUEW-UHFFFAOYSA-N 0 3 309.413 2.362 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@H]2C=CCCC2)CCC1 ZINC001484638501 1079705990 /nfs/dbraw/zinc/70/59/90/1079705990.db2.gz FAUCCXNLRBMWGV-INIZCTEOSA-N 0 3 304.434 2.011 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@H](CNCc2cnc(C)s2)C1 ZINC001484678875 1079723744 /nfs/dbraw/zinc/72/37/44/1079723744.db2.gz RNTIJTSEBAJCJJ-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](N2CCN(CCCC)CC2)C1 ZINC001484706096 1079732074 /nfs/dbraw/zinc/73/20/74/1079732074.db2.gz ZVFCZSYEUJIMIY-SFHVURJKSA-N 0 3 319.493 2.199 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H]1CCc2cncn2C1)c1ccccc1 ZINC001481365734 1079759811 /nfs/dbraw/zinc/75/98/11/1079759811.db2.gz RWSWBFPIZFPITA-SJLPKXTDSA-N 0 3 324.428 2.079 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCOC)CCC1 ZINC001481383668 1079770816 /nfs/dbraw/zinc/77/08/16/1079770816.db2.gz JMWGXKBFMCAIFA-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(Br)co1 ZINC001484760694 1079773979 /nfs/dbraw/zinc/77/39/79/1079773979.db2.gz IWDNVNURNVSZGA-UHFFFAOYSA-N 0 3 313.195 2.069 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1[nH]c2ccccc2c1OC ZINC001484769033 1079795236 /nfs/dbraw/zinc/79/52/36/1079795236.db2.gz LDQGTOIZNWJKBB-UHFFFAOYSA-N 0 3 313.401 2.204 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)C3CCCC3)CC2)C1 ZINC001484943844 1079876126 /nfs/dbraw/zinc/87/61/26/1079876126.db2.gz XENSTUFSWVUULF-MRXNPFEDSA-N 0 3 319.493 2.360 20 30 DEEDHN CCC#C[C@H](C)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001652557642 1079883479 /nfs/dbraw/zinc/88/34/79/1079883479.db2.gz BNDUABWLYAWDRJ-INIZCTEOSA-N 0 3 323.481 2.273 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2scnc2C)[C@H](C)C1 ZINC001484968768 1079885635 /nfs/dbraw/zinc/88/56/35/1079885635.db2.gz SBZCBOUUPSFZEM-OCCSQVGLSA-N 0 3 323.462 2.123 20 30 DEEDHN C[C@@H](CCNC(=O)C#CC1CC1)NCc1cc(F)ccc1F ZINC001484992426 1079910683 /nfs/dbraw/zinc/91/06/83/1079910683.db2.gz POTFNRHGJXSLDB-LBPRGKRZSA-N 0 3 306.356 2.363 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)n1ccnc1 ZINC001485044727 1079928706 /nfs/dbraw/zinc/92/87/06/1079928706.db2.gz YYEOQNLFFXDROL-LSBZLQRGSA-N 0 3 324.428 2.392 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC001485049632 1079938041 /nfs/dbraw/zinc/93/80/41/1079938041.db2.gz GOFJGBLIZCBOIM-QGZVFWFLSA-N 0 3 320.408 2.451 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(F)c1)N(C)C(=O)C#CC1CC1 ZINC001268062483 1080001134 /nfs/dbraw/zinc/00/11/34/1080001134.db2.gz CMVGRZSAMZDNHH-LBPRGKRZSA-N 0 3 306.356 2.315 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1c(C)nnn1CC ZINC001268084262 1080038364 /nfs/dbraw/zinc/03/83/64/1080038364.db2.gz HZKZRGJIDGQGOD-CYBMUJFWSA-N 0 3 321.469 2.145 20 30 DEEDHN Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)C#CC(C)C)C2)o1 ZINC001656288279 1080076451 /nfs/dbraw/zinc/07/64/51/1080076451.db2.gz JNOHKAJHERIPQB-LSDHHAIUSA-N 0 3 303.406 2.017 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1CC[C@@H](NCc2ccc(F)cn2)C1 ZINC001656288903 1080076983 /nfs/dbraw/zinc/07/69/83/1080076983.db2.gz VYSGKBCFIMUUOM-GOEBONIOSA-N 0 3 315.392 2.009 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(CCOCC)CCC2)[C@H]1C ZINC001656948726 1080141957 /nfs/dbraw/zinc/14/19/57/1080141957.db2.gz GCEADULBPCTLLW-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(Cl)n(C)n1 ZINC001657067385 1080152297 /nfs/dbraw/zinc/15/22/97/1080152297.db2.gz SVODGZRESZFIMT-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)Cc1noc2ccc(F)cc12 ZINC001485362715 1080167149 /nfs/dbraw/zinc/16/71/49/1080167149.db2.gz SXXQNSWNXWAFNZ-LLVKDONJSA-N 0 3 305.353 2.132 20 30 DEEDHN Cc1oncc1CNC[C@H]1[C@@H](C)CCCN1C(=O)C#CC(C)C ZINC001268185711 1080173497 /nfs/dbraw/zinc/17/34/97/1080173497.db2.gz NAONDQHBCFLWEA-YOEHRIQHSA-N 0 3 317.433 2.359 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001485354695 1080175571 /nfs/dbraw/zinc/17/55/71/1080175571.db2.gz BXJJWVBPHHWRPV-GFCCVEGCSA-N 0 3 303.381 2.472 20 30 DEEDHN C=CCCCN1CCC[C@H](NC(=O)c2csc(COC)n2)C1 ZINC001268236814 1080218155 /nfs/dbraw/zinc/21/81/55/1080218155.db2.gz PZWMSNBPIJULFP-ZDUSSCGKSA-N 0 3 323.462 2.450 20 30 DEEDHN CC#CCCCC(=O)N(C)CCN(C)Cc1ccc(CO)cc1 ZINC001268245349 1080227737 /nfs/dbraw/zinc/22/77/37/1080227737.db2.gz NQHUSEWQVQZJPU-UHFFFAOYSA-N 0 3 316.445 2.263 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1nccn1C ZINC001268286970 1080268486 /nfs/dbraw/zinc/26/84/86/1080268486.db2.gz NJRSXFYXEXYMEE-GJZGRUSLSA-N 0 3 304.438 2.151 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001481691827 1080306685 /nfs/dbraw/zinc/30/66/85/1080306685.db2.gz IILAINCMZHFDIW-ZWKOTPCHSA-N 0 3 314.429 2.104 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C3(CC=C)CCCCC3)[C@@H]2C1 ZINC001485629029 1080341026 /nfs/dbraw/zinc/34/10/26/1080341026.db2.gz XCHJMPKKYKZEOE-OSYLJGHBSA-N 0 3 300.446 2.440 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@@]2(C)CN(CC#C)C[C@@]2(C)C1 ZINC001485668064 1080356334 /nfs/dbraw/zinc/35/63/34/1080356334.db2.gz DTLBABVIKAVRHX-KDURUIRLSA-N 0 3 300.446 2.374 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001268364058 1080376210 /nfs/dbraw/zinc/37/62/10/1080376210.db2.gz APNLCVOLQSNWPJ-LBPRGKRZSA-N 0 3 320.824 2.493 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCCN(Cc2ccccn2)C2CC2)c1 ZINC001660665865 1080377462 /nfs/dbraw/zinc/37/74/62/1080377462.db2.gz OMCLRMADVIHMLM-UHFFFAOYSA-N 0 3 323.400 2.066 20 30 DEEDHN C=CCCCCCN1CCC[C@@]12CCN([C@@H](CC)C(N)=O)C2=O ZINC001272700646 1080378134 /nfs/dbraw/zinc/37/81/34/1080378134.db2.gz ZZIBHXFDNHZYNV-YJBOKZPZSA-N 0 3 321.465 2.064 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN(CCC[C@H]2CCOC2)C1 ZINC001660822883 1080403612 /nfs/dbraw/zinc/40/36/12/1080403612.db2.gz RPFMXRAUWRLLOK-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2ccc(OC)nc2)C1 ZINC001481733242 1080404485 /nfs/dbraw/zinc/40/44/85/1080404485.db2.gz DVYNACYNUMZAGG-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001660855778 1080409913 /nfs/dbraw/zinc/40/99/13/1080409913.db2.gz PLMUDAXFXCJHHS-QGZVFWFLSA-N 0 3 320.408 2.151 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cccc2)CC1 ZINC001661078943 1080438781 /nfs/dbraw/zinc/43/87/81/1080438781.db2.gz RSTRBIZVBIMVGW-IAGOWNOFSA-N 0 3 313.445 2.433 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001481755104 1080445097 /nfs/dbraw/zinc/44/50/97/1080445097.db2.gz WNGSWCDCIVMSLM-IRXDYDNUSA-N 0 3 318.392 2.069 20 30 DEEDHN CN(C(=O)C#CC1CC1)[C@@H](CNCC#Cc1ccccc1)C1CC1 ZINC001485808379 1080448806 /nfs/dbraw/zinc/44/88/06/1080448806.db2.gz HFNRBPQBIIFTIS-FQEVSTJZSA-N 0 3 320.436 2.278 20 30 DEEDHN CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001661202043 1080454717 /nfs/dbraw/zinc/45/47/17/1080454717.db2.gz LSMUKYCOFQFOIN-KGLIPLIRSA-N 0 3 315.458 2.162 20 30 DEEDHN CCCCC(=O)N1CCC[C@H]2CN(CC#CCOC)CC[C@H]21 ZINC001661548184 1080491647 /nfs/dbraw/zinc/49/16/47/1080491647.db2.gz HKVXYGOTIMZULQ-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCN1CC[C@H](N(CC)C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001481778892 1080494243 /nfs/dbraw/zinc/49/42/43/1080494243.db2.gz XQKZGQJJVRXUMJ-HNNXBMFYSA-N 0 3 317.433 2.186 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H](C)Oc2ccccn2)C1 ZINC001481777915 1080494456 /nfs/dbraw/zinc/49/44/56/1080494456.db2.gz KEGCLDVXSQKMKD-JKSUJKDBSA-N 0 3 317.433 2.348 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](CC)OC)NCc1ccc(C#N)s1 ZINC001481793426 1080505385 /nfs/dbraw/zinc/50/53/85/1080505385.db2.gz AYJJFWISURGMSU-FZMZJTMJSA-N 0 3 309.435 2.029 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@@H](NCc2c(C)nsc2C)C1 ZINC001661694712 1080507577 /nfs/dbraw/zinc/50/75/77/1080507577.db2.gz ZSULIDQNTLJYTH-OKILXGFUSA-N 0 3 323.462 2.089 20 30 DEEDHN COc1ccc(CNCCNC(=O)/C=C\C(C)(C)C)cc1C#N ZINC001124882782 1080510478 /nfs/dbraw/zinc/51/04/78/1080510478.db2.gz JAWPGPWSNAJGKC-FPLPWBNLSA-N 0 3 315.417 2.375 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3ccnn3C)C2)C1=O ZINC001272735884 1080515498 /nfs/dbraw/zinc/51/54/98/1080515498.db2.gz PYQPGEMPNAOCQU-LJQANCHMSA-N 0 3 322.412 2.096 20 30 DEEDHN C#CCCCC(=O)NC[C@H](CC)NCc1cnn(C(C)(C)C)c1 ZINC001481806684 1080517249 /nfs/dbraw/zinc/51/72/49/1080517249.db2.gz ATMYJVHOIPTEMI-INIZCTEOSA-N 0 3 318.465 2.426 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCC(=O)N1CCCCC1 ZINC001481815767 1080522127 /nfs/dbraw/zinc/52/21/27/1080522127.db2.gz VNSABIYUQFEACM-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)/C=C\C(C)(C)C)C1 ZINC001661983762 1080554762 /nfs/dbraw/zinc/55/47/62/1080554762.db2.gz OOXANFDGWSLYAS-BUINCNPSSA-N 0 3 320.477 2.455 20 30 DEEDHN CC/C=C(\C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001662024960 1080563866 /nfs/dbraw/zinc/56/38/66/1080563866.db2.gz HANNWHJMKXAPAJ-QFWFSDMESA-N 0 3 309.413 2.461 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2c[nH]c(C#N)c2)CCCC1 ZINC001481894103 1080582769 /nfs/dbraw/zinc/58/27/69/1080582769.db2.gz JAZOAIASJQPAMK-UHFFFAOYSA-N 0 3 306.797 2.271 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@H]2OCC)CCCC1 ZINC001481889987 1080585443 /nfs/dbraw/zinc/58/54/43/1080585443.db2.gz KTTICEMXVZYVPX-QWHCGFSZSA-N 0 3 300.830 2.183 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001662263145 1080589539 /nfs/dbraw/zinc/58/95/39/1080589539.db2.gz PPZBTYHHUFGHGL-XQQFMLRXSA-N 0 3 304.356 2.473 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NCC(=O)N(C)C(C)C)CCCC1 ZINC001662438107 1080609022 /nfs/dbraw/zinc/60/90/22/1080609022.db2.gz YMHMBZLLXUXFHK-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C(C)(C)c1ccccc1C ZINC001662438193 1080609187 /nfs/dbraw/zinc/60/91/87/1080609187.db2.gz ZVCQOZZEFBRQRW-MRXNPFEDSA-N 0 3 316.445 2.017 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccnc(OC)c2)C1 ZINC001662496644 1080612341 /nfs/dbraw/zinc/61/23/41/1080612341.db2.gz JDSFTTITKVIZBQ-HNNXBMFYSA-N 0 3 303.406 2.137 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1nc(CC)c[nH]1)C1CC1 ZINC001481929319 1080619088 /nfs/dbraw/zinc/61/90/88/1080619088.db2.gz AQWKPQHQFJLPTO-MRXNPFEDSA-N 0 3 324.856 2.142 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@](C)(CNCC(=C)Cl)C2CC2)cn1 ZINC001481947354 1080637386 /nfs/dbraw/zinc/63/73/86/1080637386.db2.gz SLXUGTMBYGMTIK-QGZVFWFLSA-N 0 3 317.820 2.304 20 30 DEEDHN COc1ccc(CNC/C=C\CNC(=O)CC2CC2)cc1C#N ZINC001268506480 1080674517 /nfs/dbraw/zinc/67/45/17/1080674517.db2.gz 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C#CCCN1CC[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001665560886 1081038424 /nfs/dbraw/zinc/03/84/24/1081038424.db2.gz PRDRAARSBQRZTR-QGZVFWFLSA-N 0 3 309.413 2.314 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCOCc2ccccc2)C1 ZINC001665569824 1081041273 /nfs/dbraw/zinc/04/12/73/1081041273.db2.gz DXIYCPOOVUKELM-GOSISDBHSA-N 0 3 314.429 2.197 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001269018774 1081086954 /nfs/dbraw/zinc/08/69/54/1081086954.db2.gz IAXBDGORWYEQDC-RDJZCZTQSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)N[C@H]1CCN(C(C)C)C1=O ZINC001665855751 1081090611 /nfs/dbraw/zinc/09/06/11/1081090611.db2.gz CXUJZYOUTSWYTM-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1ccnn1C)C1CC1 ZINC001269117292 1081123367 /nfs/dbraw/zinc/12/33/67/1081123367.db2.gz YXZHVTPTINYNCS-WBVHZDCISA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)N1CCC(CCNCc2ccn(C)n2)CC1 ZINC001666239783 1081136271 /nfs/dbraw/zinc/13/62/71/1081136271.db2.gz 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CC#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1 ZINC001269505863 1081269505 /nfs/dbraw/zinc/26/95/05/1081269505.db2.gz NLLLDVVGEQRSDJ-JKSUJKDBSA-N 0 3 312.413 2.060 20 30 DEEDHN C=CCNC(=O)CNC1(CNC(=O)CC(C)=C(C)C)CCCC1 ZINC001482227117 1081275552 /nfs/dbraw/zinc/27/55/52/1081275552.db2.gz HDRIORWBDGFGOW-UHFFFAOYSA-N 0 3 321.465 2.054 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CSC(C)C)C1 ZINC001269555635 1081289210 /nfs/dbraw/zinc/28/92/10/1081289210.db2.gz GQFZBAQQFSZLAW-HZPDHXFCSA-N 0 3 308.491 2.464 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC000950385525 1081324119 /nfs/dbraw/zinc/32/41/19/1081324119.db2.gz XFKQWXMIQQLPOP-UHFFFAOYSA-N 0 3 313.405 2.070 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)C1=COCCC1 ZINC001668377282 1081348408 /nfs/dbraw/zinc/34/84/08/1081348408.db2.gz MWOWBTPMFVMTAD-UHFFFAOYSA-N 0 3 319.430 2.252 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)[C@H](OC)C(C)C ZINC001668546582 1081366441 /nfs/dbraw/zinc/36/64/41/1081366441.db2.gz WFZRNCCNWMSZPP-OAHLLOKOSA-N 0 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ZINC001270207081 1081474894 /nfs/dbraw/zinc/47/48/94/1081474894.db2.gz CMCSPKCJOZWMBN-UHFFFAOYSA-N 0 3 318.417 2.179 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C1(C)CC1 ZINC001482288261 1081522335 /nfs/dbraw/zinc/52/23/35/1081522335.db2.gz JAVYBCHVEHBAKQ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2ccoc2CC)C1 ZINC001671638362 1081528643 /nfs/dbraw/zinc/52/86/43/1081528643.db2.gz PNMLPUCQBABGBJ-KRWDZBQOSA-N 0 3 306.406 2.239 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC001671846810 1081542750 /nfs/dbraw/zinc/54/27/50/1081542750.db2.gz OPGZUYOIWWABKF-VQIMIIECSA-N 0 3 318.461 2.187 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)[C@H](C)C(C)C)CC1 ZINC001671857797 1081543272 /nfs/dbraw/zinc/54/32/72/1081543272.db2.gz FMLMJBYVOKIHPT-MRXNPFEDSA-N 0 3 308.466 2.147 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(CCOC)CC2)C1 ZINC001671888031 1081546137 /nfs/dbraw/zinc/54/61/37/1081546137.db2.gz YVKJIYXEALVHJA-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001671907031 1081549226 /nfs/dbraw/zinc/54/92/26/1081549226.db2.gz DOPPQRKFWMRSGC-WMZOPIPTSA-N 0 3 316.449 2.076 20 30 DEEDHN C=C(C)CC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCOCC1 ZINC001671921375 1081551357 /nfs/dbraw/zinc/55/13/57/1081551357.db2.gz IMOSSJIDQKQRDE-UHFFFAOYSA-N 0 3 318.417 2.227 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(CCC)CCC1(F)F ZINC001671962565 1081553831 /nfs/dbraw/zinc/55/38/31/1081553831.db2.gz INPVCOLHVCFXLA-KBPBESRZSA-N 0 3 318.408 2.451 20 30 DEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)COC(C)C)C2)CC1 ZINC001672171479 1081564006 /nfs/dbraw/zinc/56/40/06/1081564006.db2.gz QJRROSCPNUFXBD-GOSISDBHSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@]1(C)CCN(CCn2cccn2)C1 ZINC001270614847 1081564046 /nfs/dbraw/zinc/56/40/46/1081564046.db2.gz JEPYWVBYQAIDJN-WBVHZDCISA-N 0 3 304.438 2.066 20 30 DEEDHN N#Cc1cc(C(=O)N(CCNCCF)Cc2ccccc2)c[nH]1 ZINC001672388156 1081592251 /nfs/dbraw/zinc/59/22/51/1081592251.db2.gz BMKWVKNJURHTLW-UHFFFAOYSA-N 0 3 314.364 2.088 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC001672419762 1081597130 /nfs/dbraw/zinc/59/71/30/1081597130.db2.gz QRUYQZFEDROECP-KSQPQJEDSA-N 0 3 312.388 2.252 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)N(C)C ZINC001673103123 1081738558 /nfs/dbraw/zinc/73/85/58/1081738558.db2.gz WKNRHXMOBSNKOB-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCNC1(CNC(=O)C/C=C\c2ccc(F)cc2)CCC1 ZINC001673181071 1081744567 /nfs/dbraw/zinc/74/45/67/1081744567.db2.gz UWABKSTXRAIGBQ-HYXAFXHYSA-N 0 3 300.377 2.491 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)CCC1 ZINC001673189708 1081745097 /nfs/dbraw/zinc/74/50/97/1081745097.db2.gz OUNRPFVQGNNIKG-UHFFFAOYSA-N 0 3 312.413 2.232 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(C)CCC(C)CC2)CCO1 ZINC001673343403 1081757565 /nfs/dbraw/zinc/75/75/65/1081757565.db2.gz XSPANVNGAAHOFG-UPTPFMHGSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001673385565 1081763835 /nfs/dbraw/zinc/76/38/35/1081763835.db2.gz FAHUYKHRPSEGQM-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccc(OC)c(OC)c1C ZINC001673445974 1081771316 /nfs/dbraw/zinc/77/13/16/1081771316.db2.gz PCXFLPMYDICJFK-UHFFFAOYSA-N 0 3 318.417 2.039 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)Cc1ccsc1 ZINC001482376419 1081773363 /nfs/dbraw/zinc/77/33/63/1081773363.db2.gz OBMOZYMRDSXMGU-INIZCTEOSA-N 0 3 322.474 2.061 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COCc2ccccc2C)C[C@H]1C ZINC001674146554 1081846670 /nfs/dbraw/zinc/84/66/70/1081846670.db2.gz GIVHAPHZPMAMQF-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CC(C)(C)O ZINC001674266125 1081854872 /nfs/dbraw/zinc/85/48/72/1081854872.db2.gz BXBKQHWXTKEIIK-QGZVFWFLSA-N 0 3 316.445 2.439 20 30 DEEDHN C#CC[N@@H+](CC)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001674335034 1081860193 /nfs/dbraw/zinc/86/01/93/1081860193.db2.gz PTRFPISYTVQNDV-UHFFFAOYSA-N 0 3 300.402 2.200 20 30 DEEDHN C#CC[N@H+](CC)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001674335034 1081860197 /nfs/dbraw/zinc/86/01/97/1081860197.db2.gz PTRFPISYTVQNDV-UHFFFAOYSA-N 0 3 300.402 2.200 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001271007740 1081873117 /nfs/dbraw/zinc/87/31/17/1081873117.db2.gz QXQZUENQIZWQOF-NRFANRHFSA-N 0 3 322.452 2.452 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1cccc(OCC)n1 ZINC001674470124 1081877022 /nfs/dbraw/zinc/87/70/22/1081877022.db2.gz STJRXPAPKFFJRQ-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cncnc1C(C)C ZINC001674499978 1081883888 /nfs/dbraw/zinc/88/38/88/1081883888.db2.gz UAYBIFUYYJZLBO-CQSZACIVSA-N 0 3 302.422 2.322 20 30 DEEDHN C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001482452179 1081892835 /nfs/dbraw/zinc/89/28/35/1081892835.db2.gz GSUZQFCATFCAGF-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001674672776 1081903247 /nfs/dbraw/zinc/90/32/47/1081903247.db2.gz IKCVGVKUWYQDJL-VXGBXAGGSA-N 0 3 319.453 2.267 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc2c(o1)CCCC2 ZINC001266280944 1081937578 /nfs/dbraw/zinc/93/75/78/1081937578.db2.gz ZCDRMMHFXSNKMQ-UHFFFAOYSA-N 0 3 306.406 2.023 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCc2ccncc2)CC1 ZINC001266373627 1082005609 /nfs/dbraw/zinc/00/56/09/1082005609.db2.gz IGVVZAUBNPEOJF-KRWDZBQOSA-N 0 3 311.429 2.008 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2cnns2)C1 ZINC001271491502 1082061951 /nfs/dbraw/zinc/06/19/51/1082061951.db2.gz RYRQPMZTGOBGHB-CHWSQXEVSA-N 0 3 308.451 2.221 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN2CCOC2CCC2)C1 ZINC001266483424 1082067286 /nfs/dbraw/zinc/06/72/86/1082067286.db2.gz WDDOKEORBQFKHY-OAHLLOKOSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001266529721 1082117374 /nfs/dbraw/zinc/11/73/74/1082117374.db2.gz LSMSPVWCOQUCQF-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cnc3c(F)cccc3c2)C1 ZINC001266538435 1082133699 /nfs/dbraw/zinc/13/36/99/1082133699.db2.gz LKIDIHYXHGDIKJ-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001266542366 1082137138 /nfs/dbraw/zinc/13/71/38/1082137138.db2.gz QMBZFPDBCKDILP-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001266562346 1082161063 /nfs/dbraw/zinc/16/10/63/1082161063.db2.gz XDHINIPGTIBUQF-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001266579311 1082172528 /nfs/dbraw/zinc/17/25/28/1082172528.db2.gz NDQGTHIHFQRUAX-UHFFFAOYSA-N 0 3 316.449 2.239 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001266583096 1082174919 /nfs/dbraw/zinc/17/49/19/1082174919.db2.gz MFGVXVYRAIETHC-UBHSHLNASA-N 0 3 324.371 2.465 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)CC2(C)CCCCC2)C1 ZINC001271973427 1082215944 /nfs/dbraw/zinc/21/59/44/1082215944.db2.gz KDZULJPXBMUDJE-IBGZPJMESA-N 0 3 320.477 2.313 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)Oc1cccnc1 ZINC001670687922 1082217770 /nfs/dbraw/zinc/21/77/70/1082217770.db2.gz ZFQILRSJDGUBEQ-LSDHHAIUSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccccc2CC)C1 ZINC001271981643 1082219139 /nfs/dbraw/zinc/21/91/39/1082219139.db2.gz GWKFRMKHTWNKFN-IBGZPJMESA-N 0 3 316.445 2.382 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001670692508 1082219151 /nfs/dbraw/zinc/21/91/51/1082219151.db2.gz UCNZPUVVRJWIJG-KGLIPLIRSA-N 0 3 319.453 2.192 20 30 DEEDHN Cc1cccc(C(=O)N(C)CCNCc2ccc(C#N)cc2)n1 ZINC001266642901 1082242326 /nfs/dbraw/zinc/24/23/26/1082242326.db2.gz GREBWLOYKFNMJV-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CSCCC)C1 ZINC001266656215 1082253536 /nfs/dbraw/zinc/25/35/36/1082253536.db2.gz PVPKLLUZMLNFJZ-CVEARBPZSA-N 0 3 308.491 2.466 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@@H]1CC[C@H](F)C1 ZINC001266708765 1082297090 /nfs/dbraw/zinc/29/70/90/1082297090.db2.gz XLHYCKSIJYTYDU-XDNAFOTISA-N 0 3 314.404 2.413 20 30 DEEDHN Cc1ncsc1CCN(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001482595129 1082328926 /nfs/dbraw/zinc/32/89/26/1082328926.db2.gz IGVPEZWKFCYRJY-UHFFFAOYSA-N 0 3 321.490 2.434 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001266837767 1082382210 /nfs/dbraw/zinc/38/22/10/1082382210.db2.gz WKYQQJLBUBLIID-HNNXBMFYSA-N 0 3 321.396 2.008 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(COC)CCC1 ZINC001266890777 1082433014 /nfs/dbraw/zinc/43/30/14/1082433014.db2.gz NQQJDWFVOYXBSV-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC001482648664 1082433216 /nfs/dbraw/zinc/43/32/16/1082433216.db2.gz RPYFDIRAJJHDQH-PBHICJAKSA-N 0 3 318.417 2.181 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCC2CCC2)C1 ZINC001266890604 1082434370 /nfs/dbraw/zinc/43/43/70/1082434370.db2.gz HCCKPQHOAQSLEZ-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001266894986 1082437228 /nfs/dbraw/zinc/43/72/28/1082437228.db2.gz YHCJCXCVPHSCMG-QZTJIDSGSA-N 0 3 318.461 2.047 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2ncccc2F)C1 ZINC001266895472 1082437241 /nfs/dbraw/zinc/43/72/41/1082437241.db2.gz ONLGLQBMHFXLGC-LSDHHAIUSA-N 0 3 317.408 2.003 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC(F)(F)C(F)F)C1 ZINC001266895756 1082437766 /nfs/dbraw/zinc/43/77/66/1082437766.db2.gz SLYQBAIFANTDIC-WDEREUQCSA-N 0 3 308.319 2.127 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001266941403 1082465539 /nfs/dbraw/zinc/46/55/39/1082465539.db2.gz CXECGZPDGWEIPV-GFCCVEGCSA-N 0 3 318.421 2.010 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001482854832 1082533261 /nfs/dbraw/zinc/53/32/61/1082533261.db2.gz QHCNCYSDKWBRCM-AEGPPILISA-N 0 3 314.857 2.286 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1CC12CCOCC2 ZINC001482904260 1082554967 /nfs/dbraw/zinc/55/49/67/1082554967.db2.gz CYKKNPLIDOVWIO-CHWSQXEVSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001272158608 1082609473 /nfs/dbraw/zinc/60/94/73/1082609473.db2.gz PIJTYDIAUWJWEQ-UHFFFAOYSA-N 0 3 303.406 2.225 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ccn(CC)n1 ZINC001272244450 1082750230 /nfs/dbraw/zinc/75/02/30/1082750230.db2.gz QOPNVLJRQDEYEU-GDBMZVCRSA-N 0 3 304.438 2.244 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CCC1(F)F ZINC001483140531 1082771856 /nfs/dbraw/zinc/77/18/56/1082771856.db2.gz YENPIIQNRGYCIR-BXKDBHETSA-N 0 3 313.373 2.259 20 30 DEEDHN CO[C@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C1CCC1 ZINC001483151956 1082778519 /nfs/dbraw/zinc/77/85/19/1082778519.db2.gz CSSKSDANUHSGRE-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1cccc(F)c1 ZINC001409539378 1082942946 /nfs/dbraw/zinc/94/29/46/1082942946.db2.gz HIRJZMWBVWNWAA-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccc(OC)nc2)C1 ZINC001483263911 1083064057 /nfs/dbraw/zinc/06/40/57/1083064057.db2.gz MDCBDGLLGAVEIS-ZDUSSCGKSA-N 0 3 303.406 2.041 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)N1CCCCCC1 ZINC001483262043 1083064604 /nfs/dbraw/zinc/06/46/04/1083064604.db2.gz HFAIOPMCHXZPAS-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107402201 1083374323 /nfs/dbraw/zinc/37/43/23/1083374323.db2.gz JWYQUYVYHGPYMV-ZUALQUTDSA-N 0 3 324.852 2.138 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H](C)C2CN(CC)C2)cc1 ZINC001276467611 1083455026 /nfs/dbraw/zinc/45/50/26/1083455026.db2.gz BRMPNSLEZIDCCV-CQSZACIVSA-N 0 3 302.418 2.250 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001276469621 1083457019 /nfs/dbraw/zinc/45/70/19/1083457019.db2.gz WNZYNXKLAOWKQB-YOEHRIQHSA-N 0 3 302.393 2.027 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CCNCC(=C)Br ZINC001272748132 1083475549 /nfs/dbraw/zinc/47/55/49/1083475549.db2.gz SDIIFMOPKPFCTR-GFCCVEGCSA-N 0 3 301.228 2.183 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@H](C)C(C)C)CCC[C@@H]12 ZINC001107567065 1083486904 /nfs/dbraw/zinc/48/69/04/1083486904.db2.gz IUKSQOLLYMAYTH-ZHALLVOQSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2nccs2)[C@@H](CC)C1 ZINC001276728891 1083574344 /nfs/dbraw/zinc/57/43/44/1083574344.db2.gz BROWKINXUFOWRD-UONOGXRCSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691112 1083609340 /nfs/dbraw/zinc/60/93/40/1083609340.db2.gz RBWCEOAIOZAHHE-CRAIPNDOSA-N 0 3 317.433 2.257 20 30 DEEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001276885163 1083664292 /nfs/dbraw/zinc/66/42/92/1083664292.db2.gz GCVTWSOHHMOMKI-KONPQCLYSA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)CSC)C[C@]2(C)C1 ZINC001276893862 1083667964 /nfs/dbraw/zinc/66/79/64/1083667964.db2.gz PVPPKLDNCVZRPA-BHYGNILZSA-N 0 3 308.491 2.179 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001276941837 1083691913 /nfs/dbraw/zinc/69/19/13/1083691913.db2.gz QYBPSRYJKYHLBR-IUODEOHRSA-N 0 3 304.438 2.287 20 30 DEEDHN N#Cc1ccccc1N1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001276952941 1083697273 /nfs/dbraw/zinc/69/72/73/1083697273.db2.gz CVECTBIXZWNIIN-UHFFFAOYSA-N 0 3 321.428 2.357 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107804416 1083717040 /nfs/dbraw/zinc/71/70/40/1083717040.db2.gz NDTUNWCRGPAMDB-QAPCUYQASA-N 0 3 322.449 2.243 20 30 DEEDHN CCCCCCCNC(=O)NC1=C(C(=O)OCC)CNCC1 ZINC001239232742 1083754903 /nfs/dbraw/zinc/75/49/03/1083754903.db2.gz PNERIWLQFAHJOS-UHFFFAOYSA-N 0 3 311.426 2.067 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C1CN(CCc2cnn(C)c2)C1 ZINC001276382351 1083769351 /nfs/dbraw/zinc/76/93/51/1083769351.db2.gz UPIULWLAPMTJSL-AWEZNQCLSA-N 0 3 318.465 2.001 20 30 DEEDHN C[C@H](CCCNCc1cc(C#N)ccc1F)NC(=O)C(F)F ZINC001277098249 1083773034 /nfs/dbraw/zinc/77/30/34/1083773034.db2.gz AAFCWZJHCLOYPW-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN N#Cc1cc(F)cc(CN2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c1 ZINC001277127040 1083789821 /nfs/dbraw/zinc/78/98/21/1083789821.db2.gz WXLCLQSETYTAOS-RDJZCZTQSA-N 0 3 301.365 2.175 20 30 DEEDHN N#Cc1cc(F)cc(CN2CCC3(C=C(C(N)=O)CC3)CC2)c1 ZINC001277126483 1083789973 /nfs/dbraw/zinc/78/99/73/1083789973.db2.gz GCTMOJIELFWOFK-UHFFFAOYSA-N 0 3 313.376 2.485 20 30 DEEDHN C=CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NCC1COC1 ZINC001277153749 1083814891 /nfs/dbraw/zinc/81/48/91/1083814891.db2.gz XRLGBXRVFSCKJI-AEFFLSMTSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001077780128 1083877244 /nfs/dbraw/zinc/87/72/44/1083877244.db2.gz DGHQZKCCPXIATF-BORJPKMPSA-N 0 3 308.466 2.186 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)COC(C)C)C1 ZINC001277285304 1083893848 /nfs/dbraw/zinc/89/38/48/1083893848.db2.gz OCZKTKFXYADJGM-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCCCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001491554631 1083972270 /nfs/dbraw/zinc/97/22/70/1083972270.db2.gz MZBFXYCAVVBNML-AWEZNQCLSA-N 0 3 315.392 2.485 20 30 DEEDHN Cc1ccc(C)c(CN2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001277477317 1083993970 /nfs/dbraw/zinc/99/39/70/1083993970.db2.gz LGWUJBJUWWHOED-SFHVURJKSA-N 0 3 323.440 2.497 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC2(C1)CCN(CC#CC)CC2 ZINC001277483111 1083996832 /nfs/dbraw/zinc/99/68/32/1083996832.db2.gz SLGUQAZAKHMERS-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107961865 1084003932 /nfs/dbraw/zinc/00/39/32/1084003932.db2.gz CNVXQXFNHPJOLM-WMLDXEAASA-N 0 3 305.422 2.190 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491015048 1084008850 /nfs/dbraw/zinc/00/88/50/1084008850.db2.gz RFYYHMUVNRXQHY-OIISXLGYSA-N 0 3 316.470 2.417 20 30 DEEDHN CC#CCNC1(CNC(=O)CCn2ccc3ccccc32)CC1 ZINC001670895991 1084024294 /nfs/dbraw/zinc/02/42/94/1084024294.db2.gz POMJOXQUGBBGML-UHFFFAOYSA-N 0 3 309.413 2.293 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001491053769 1084036633 /nfs/dbraw/zinc/03/66/33/1084036633.db2.gz ZGJHKMYMDNSMAH-OZVIIMIRSA-N 0 3 323.462 2.491 20 30 DEEDHN Cn1cc(CN2CC3(C2)CCN(CC(F)F)CC3)cc1C#N ZINC001277645859 1084073539 /nfs/dbraw/zinc/07/35/39/1084073539.db2.gz XLURKCNQNSPTQN-UHFFFAOYSA-N 0 3 308.376 2.060 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CN[C@H](C)c2nnc(CC)[nH]2)C1 ZINC001491141451 1084106494 /nfs/dbraw/zinc/10/64/94/1084106494.db2.gz HLLZEZRHPSCBFV-KGLIPLIRSA-N 0 3 319.453 2.223 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC1CCCCC1 ZINC001277772033 1084141382 /nfs/dbraw/zinc/14/13/82/1084141382.db2.gz URMASLFLWSBRHN-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@H]1[C@H]1CCN(CC#CC)C1 ZINC001670922208 1084145614 /nfs/dbraw/zinc/14/56/14/1084145614.db2.gz AHWZKXHVNGKFSS-ROUUACIJSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001670955198 1084165927 /nfs/dbraw/zinc/16/59/27/1084165927.db2.gz DBWSNMSXMFNZRD-SJORKVTESA-N 0 3 318.417 2.090 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277845675 1084171361 /nfs/dbraw/zinc/17/13/61/1084171361.db2.gz MOCWZMDAAYOPPP-IBGZPJMESA-N 0 3 308.425 2.422 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCCn1ccnc1 ZINC001491237852 1084174468 /nfs/dbraw/zinc/17/44/68/1084174468.db2.gz SGTODCOPQJFMIY-INIZCTEOSA-N 0 3 304.438 2.210 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1cccc2cnccc21 ZINC001277864272 1084182249 /nfs/dbraw/zinc/18/22/49/1084182249.db2.gz VIRHYNUBAZEFOZ-HNNXBMFYSA-N 0 3 309.413 2.237 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CN(C)c2ccccc2)C1 ZINC001671699125 1084199449 /nfs/dbraw/zinc/19/94/49/1084199449.db2.gz KBJJPVKQBDIJKI-GOSISDBHSA-N 0 3 301.434 2.280 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)COC2CCCC2)C1 ZINC001491284758 1084203152 /nfs/dbraw/zinc/20/31/52/1084203152.db2.gz UTLOZMUKMOLFJE-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1ncoc1CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272821554 1084259373 /nfs/dbraw/zinc/25/93/73/1084259373.db2.gz NCRJVSMHQTXFIM-KRWDZBQOSA-N 0 3 316.405 2.244 20 30 DEEDHN C#CCC1(C(=O)NC[C@]2(C)CN(C[C@@H](C)CC)CCO2)CCC1 ZINC001107990953 1084275780 /nfs/dbraw/zinc/27/57/80/1084275780.db2.gz RZGYMNVLSQDRLK-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC(C)OCC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001235109050 1084311477 /nfs/dbraw/zinc/31/14/77/1084311477.db2.gz IMBLSLODOMMVCT-UHFFFAOYSA-N 0 3 321.396 2.060 20 30 DEEDHN C=C(C)CNCc1cccc(N2CC[C@H](NC(=O)CCC)C2)n1 ZINC001128096750 1084336244 /nfs/dbraw/zinc/33/62/44/1084336244.db2.gz QHCOPXORWYXTHJ-INIZCTEOSA-N 0 3 316.449 2.242 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001277929525 1084338354 /nfs/dbraw/zinc/33/83/54/1084338354.db2.gz PCPIGIORFOQZSH-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)COC2 ZINC001272862709 1084390355 /nfs/dbraw/zinc/39/03/55/1084390355.db2.gz XWLOAEVBMXJKGX-QZTJIDSGSA-N 0 3 312.413 2.468 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC23CC3)CC2(CCOCC2)C1 ZINC001089957245 1084433321 /nfs/dbraw/zinc/43/33/21/1084433321.db2.gz KCTYRQGXLQUNPJ-JKSUJKDBSA-N 0 3 318.461 2.350 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC2(CCOCC2)C1 ZINC001089959605 1084443078 /nfs/dbraw/zinc/44/30/78/1084443078.db2.gz OVPHZKGOFJJCCI-MRXNPFEDSA-N 0 3 318.461 2.350 20 30 DEEDHN C#CCN1CCN([C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168661927 1084491576 /nfs/dbraw/zinc/49/15/76/1084491576.db2.gz BYFAGWSNZUZBPI-IEBWSBKVSA-N 0 3 314.429 2.166 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cc(C)on2)C12CCC2 ZINC001078543194 1084742980 /nfs/dbraw/zinc/74/29/80/1084742980.db2.gz LLRZCHFXEWYVEV-CHWSQXEVSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nocc2C)C12CCC2 ZINC001078774431 1084868427 /nfs/dbraw/zinc/86/84/27/1084868427.db2.gz XRGFOTPFOVUCRB-RYUDHWBXSA-N 0 3 309.797 2.366 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCc2ccsc2)[C@H](OC)C1 ZINC001212440660 1084888706 /nfs/dbraw/zinc/88/87/06/1084888706.db2.gz DZZYJXMDWIAXSC-HZPDHXFCSA-N 0 3 322.474 2.462 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1ccsc1 ZINC001485861962 1084937977 /nfs/dbraw/zinc/93/79/77/1084937977.db2.gz LRGPTMHYNYGGRC-LLVKDONJSA-N 0 3 302.403 2.198 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](c1cccnc1)C(C)C ZINC001485939455 1085006915 /nfs/dbraw/zinc/00/69/15/1085006915.db2.gz ZXPUWGFSRCDQSA-RDJZCZTQSA-N 0 3 301.434 2.281 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C3CC3)n2)[C@@H]1C ZINC001486079898 1085047067 /nfs/dbraw/zinc/04/70/67/1085047067.db2.gz SHHCICYQWXVELG-GXTWGEPZSA-N 0 3 317.437 2.117 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)c3ccccc23)C1 ZINC001486120000 1085075550 /nfs/dbraw/zinc/07/55/50/1085075550.db2.gz LFTYKPPIQLWCKO-HUUCEWRRSA-N 0 3 309.413 2.394 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3ncccc3c2)C1 ZINC001486121776 1085076510 /nfs/dbraw/zinc/07/65/10/1085076510.db2.gz NFARNJYPBMFNFV-WMLDXEAASA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCCc2ccc(F)cc2)C1 ZINC001486123973 1085077545 /nfs/dbraw/zinc/07/75/45/1085077545.db2.gz JYNLRVBVILBSPM-YOEHRIQHSA-N 0 3 302.393 2.361 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2c(C)cccc2C)C1 ZINC001486131070 1085080457 /nfs/dbraw/zinc/08/04/57/1085080457.db2.gz WGVYLQGBFLWFHG-IAGOWNOFSA-N 0 3 314.429 2.285 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(F)c2F)C1 ZINC001486126134 1085093147 /nfs/dbraw/zinc/09/31/47/1085093147.db2.gz YBGQTVYPSLZEQZ-OLZOCXBDSA-N 0 3 306.356 2.489 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2cc[nH]c2C)[C@H]1C ZINC001486169233 1085102561 /nfs/dbraw/zinc/10/25/61/1085102561.db2.gz GGSZJYUSXZIJQL-ZBFHGGJFSA-N 0 3 305.422 2.108 20 30 DEEDHN COCCN1CCC[C@H](NC(=O)CC#Cc2ccccc2)[C@@H]1C ZINC001486186993 1085116568 /nfs/dbraw/zinc/11/65/68/1085116568.db2.gz RHVUPUVHOIDYFW-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN CC[C@H](F)CN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001486228612 1085136718 /nfs/dbraw/zinc/13/67/18/1085136718.db2.gz KMEHEKUPVFAGJP-GXTWGEPZSA-N 0 3 306.385 2.075 20 30 DEEDHN CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NCC#Cc1ccccc1 ZINC001486231059 1085138909 /nfs/dbraw/zinc/13/89/09/1085138909.db2.gz IXMRDTQUMYQFDE-LJQANCHMSA-N 0 3 320.436 2.278 20 30 DEEDHN CCCC[C@@H](C)C(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001486231954 1085140738 /nfs/dbraw/zinc/14/07/38/1085140738.db2.gz RJNVIUWMPJKOSR-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccon1 ZINC000960253925 1085165249 /nfs/dbraw/zinc/16/52/49/1085165249.db2.gz BQJLJJWIISBADL-SJLPKXTDSA-N 0 3 311.385 2.165 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(=O)cc1C ZINC000960305033 1085190239 /nfs/dbraw/zinc/19/02/39/1085190239.db2.gz CCHVBGUXEZINPM-SJLPKXTDSA-N 0 3 323.396 2.267 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000960309353 1085191313 /nfs/dbraw/zinc/19/13/13/1085191313.db2.gz RWDWTMMAANWAIG-BASLNEPJSA-N 0 3 300.402 2.112 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(OC)n1 ZINC000960318528 1085194066 /nfs/dbraw/zinc/19/40/66/1085194066.db2.gz QNIKSUIEKBCFDW-SJLPKXTDSA-N 0 3 323.396 2.262 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001486341074 1085209952 /nfs/dbraw/zinc/20/99/52/1085209952.db2.gz OPWLUFFIUAZSAB-SJLPKXTDSA-N 0 3 316.445 2.044 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cnn2c1CCCC2)C(C)C ZINC001486379242 1085254654 /nfs/dbraw/zinc/25/46/54/1085254654.db2.gz YHRXFSXOJRBHBT-UHFFFAOYSA-N 0 3 304.438 2.188 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)c1ccon1 ZINC000960435590 1085278736 /nfs/dbraw/zinc/27/87/36/1085278736.db2.gz AGMOSSKFTRVFSY-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001486439272 1085315307 /nfs/dbraw/zinc/31/53/07/1085315307.db2.gz QYJYEFQYHDLQKB-SJORKVTESA-N 0 3 320.477 2.455 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)CC2CCCC2)CC1 ZINC001486443039 1085327275 /nfs/dbraw/zinc/32/72/75/1085327275.db2.gz QLRNMMDTHYNMHQ-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)CCC(C)C)CC2)CC1 ZINC001486486357 1085359729 /nfs/dbraw/zinc/35/97/29/1085359729.db2.gz JWJAPKWSGUCIIW-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(C2CCN(Cc3cccnc3)CC2)CC1 ZINC001486486859 1085374541 /nfs/dbraw/zinc/37/45/41/1085374541.db2.gz CJGAGQCPASIXGB-AWEZNQCLSA-N 0 3 312.417 2.102 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n(C(CC)CC)n1 ZINC000960696705 1085416625 /nfs/dbraw/zinc/41/66/25/1085416625.db2.gz FWFATPHCLMLIFT-QLPKVWCKSA-N 0 3 316.449 2.399 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001486556163 1085429548 /nfs/dbraw/zinc/42/95/48/1085429548.db2.gz VTCFFUYCPJHMNY-MRXNPFEDSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c(C)cccc1Cl ZINC000960780242 1085444652 /nfs/dbraw/zinc/44/46/52/1085444652.db2.gz CFUGIFXINUMOAX-HALDLXJZSA-N 0 3 304.821 2.423 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001128208485 1085556533 /nfs/dbraw/zinc/55/65/33/1085556533.db2.gz CSICBDGYRMFIEJ-UHFFFAOYSA-N 0 3 324.856 2.132 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000961120779 1085592851 /nfs/dbraw/zinc/59/28/51/1085592851.db2.gz LHDKRCALDJLTLG-CVEARBPZSA-N 0 3 318.461 2.185 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1c(F)cccc1F ZINC000961152137 1085614987 /nfs/dbraw/zinc/61/49/87/1085614987.db2.gz SWNQEGCAJGIZNV-YMEQNVIZSA-N 0 3 306.356 2.301 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCN[C@H](C)C(=O)N1CCCCCC1 ZINC001128259279 1085648588 /nfs/dbraw/zinc/64/85/88/1085648588.db2.gz XOJGAFDWAOLHEG-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000965851002 1085660656 /nfs/dbraw/zinc/66/06/56/1085660656.db2.gz HRSMQQBQVAXRHR-CJNGLKHVSA-N 0 3 300.406 2.293 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NCC(C)C ZINC001272967790 1085713526 /nfs/dbraw/zinc/71/35/26/1085713526.db2.gz IYFMHZPJKWRDBV-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)CC3CC3)C2)ccc1F ZINC000966063520 1085772819 /nfs/dbraw/zinc/77/28/19/1085772819.db2.gz IQVQKPHNFYFJGT-OAHLLOKOSA-N 0 3 301.365 2.188 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC000961691717 1085829742 /nfs/dbraw/zinc/82/97/42/1085829742.db2.gz QOOFIFOZMAFFGE-PIIMJCKOSA-N 0 3 321.424 2.461 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2oc(C)nc2C)C1 ZINC001490882707 1085882558 /nfs/dbraw/zinc/88/25/58/1085882558.db2.gz CDZXRKBWGYMMDQ-SHTZXODSSA-N 0 3 303.406 2.222 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)c(OCC)c1 ZINC000961942559 1085916407 /nfs/dbraw/zinc/91/64/07/1085916407.db2.gz ZILMBGPIEUKKEV-QLPKVWCKSA-N 0 3 300.402 2.240 20 30 DEEDHN C#Cc1ccc(C(=O)NC2CC(CNCc3cnc(C)o3)C2)cc1 ZINC000962154867 1085986463 /nfs/dbraw/zinc/98/64/63/1085986463.db2.gz REPCWNIBSWFEEG-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC000962658790 1086195094 /nfs/dbraw/zinc/19/50/94/1086195094.db2.gz ZJRRQPTWMVWHPG-YZOIGVHSSA-N 0 3 306.356 2.301 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N1Cc3cccc(Cl)c3C1)C2 ZINC001649124139 1086296613 /nfs/dbraw/zinc/29/66/13/1086296613.db2.gz VKWBPMFEDKBAHV-JZLYGMAVSA-N 0 3 315.804 2.322 20 30 DEEDHN C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000963261361 1086357882 /nfs/dbraw/zinc/35/78/82/1086357882.db2.gz ZNMQTHHDWDEFGR-DOTOQJQBSA-N 0 3 312.413 2.342 20 30 DEEDHN C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000963261361 1086357895 /nfs/dbraw/zinc/35/78/95/1086357895.db2.gz ZNMQTHHDWDEFGR-DOTOQJQBSA-N 0 3 312.413 2.342 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000963261921 1086361523 /nfs/dbraw/zinc/36/15/23/1086361523.db2.gz FGWSPRSFGPOPGR-UKRRQHHQSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000963261921 1086361532 /nfs/dbraw/zinc/36/15/32/1086361532.db2.gz FGWSPRSFGPOPGR-UKRRQHHQSA-N 0 3 322.840 2.479 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3CCF)C2)c[nH]1 ZINC000963284173 1086384110 /nfs/dbraw/zinc/38/41/10/1086384110.db2.gz ARVSDVFFIHACTK-CJNGLKHVSA-N 0 3 318.396 2.172 20 30 DEEDHN C=C[C@@H](COC)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001329508495 1148906688 /nfs/dbraw/zinc/90/66/88/1148906688.db2.gz ZWMQMSZWCBWFRQ-JKSUJKDBSA-N 0 3 304.390 2.188 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C[C@@H]1CCCO1)C2 ZINC000963595900 1086507708 /nfs/dbraw/zinc/50/77/08/1086507708.db2.gz VVGLKCXIVOZIRU-JNJRBNHSSA-N 0 3 312.841 2.325 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)Cc1cccnc1)C2 ZINC000963681820 1086537625 /nfs/dbraw/zinc/53/76/25/1086537625.db2.gz XUPAKDLSABAFJV-UHFFFAOYSA-N 0 3 319.836 2.394 20 30 DEEDHN CC[C@H]1OCCC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001129088268 1086594766 /nfs/dbraw/zinc/59/47/66/1086594766.db2.gz XGTBANJNEHQQMS-LSDHHAIUSA-N 0 3 321.446 2.031 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2cn(C(C)C)nc2C)CCC1 ZINC001129124619 1086598359 /nfs/dbraw/zinc/59/83/59/1086598359.db2.gz ARGKGNWDJSJBEI-UHFFFAOYSA-N 0 3 316.449 2.172 20 30 DEEDHN CC[C@@H](CC(F)F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001129142032 1086605177 /nfs/dbraw/zinc/60/51/77/1086605177.db2.gz BVMYOVDPQVWFFC-AWEZNQCLSA-N 0 3 309.360 2.445 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129148020 1086608130 /nfs/dbraw/zinc/60/81/30/1086608130.db2.gz WHMWNXALRTXGDQ-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1ccc2c[nH]nc2c1 ZINC001273151224 1087027468 /nfs/dbraw/zinc/02/74/68/1087027468.db2.gz PSPHUAKZAJLGAK-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1(NC(=O)CN(C)CCC)CCC1 ZINC001064109342 1087549573 /nfs/dbraw/zinc/54/95/73/1087549573.db2.gz JYXKEPAAOYDBPT-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CCO[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)C(C)C ZINC001129317558 1087648226 /nfs/dbraw/zinc/64/82/26/1087648226.db2.gz QINNTPCYGBOVOY-QGZVFWFLSA-N 0 3 317.433 2.215 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1c1cccc(F)c1 ZINC001079176195 1087737411 /nfs/dbraw/zinc/73/74/11/1087737411.db2.gz ACNMOXRHFUQVHT-ZWKOTPCHSA-N 0 3 312.388 2.309 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOc1ccccc1C ZINC001114658492 1087769440 /nfs/dbraw/zinc/76/94/40/1087769440.db2.gz QTGDLDVORCQTGU-MNZLEMJZSA-N 0 3 314.429 2.386 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114671705 1087953269 /nfs/dbraw/zinc/95/32/69/1087953269.db2.gz IKHKWPSNIPDJJL-FVQHAEBGSA-N 0 3 309.413 2.317 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001079833532 1088436905 /nfs/dbraw/zinc/43/69/05/1088436905.db2.gz RVUMRJLBFZJLAP-ZYHUDNBSSA-N 0 3 320.824 2.014 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2noc3ccccc32)C1 ZINC001080072975 1088604487 /nfs/dbraw/zinc/60/44/87/1088604487.db2.gz ZUVYDSIRDPMIHK-CZUORRHYSA-N 0 3 313.401 2.383 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC001080256393 1088744630 /nfs/dbraw/zinc/74/46/30/1088744630.db2.gz NCOYTHJJXIEPLU-IUODEOHRSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2sccc2Cl)C1 ZINC000958082508 1088781309 /nfs/dbraw/zinc/78/13/09/1088781309.db2.gz YDGCURWNNYADJA-PWSUYJOCSA-N 0 3 314.838 2.000 20 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DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC000958732722 1089155563 /nfs/dbraw/zinc/15/55/63/1089155563.db2.gz PVEWSGKZYKEFHT-ZFWWWQNUSA-N 0 3 306.406 2.002 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001080741885 1089161047 /nfs/dbraw/zinc/16/10/47/1089161047.db2.gz NHSILZQXSDHQDD-TZMCWYRMSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001080954307 1089267069 /nfs/dbraw/zinc/26/70/69/1089267069.db2.gz ZUOGCANVAYKPKG-CZUORRHYSA-N 0 3 316.449 2.020 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001081061616 1089309222 /nfs/dbraw/zinc/30/92/22/1089309222.db2.gz YROZSLSDQVTOGQ-BXUZGUMPSA-N 0 3 315.373 2.160 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1c1ccccc1 ZINC001081229083 1089383897 /nfs/dbraw/zinc/38/38/97/1089383897.db2.gz IKTOYBLIRQIYQR-ZWKOTPCHSA-N 0 3 321.424 2.339 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCC(=C)C)C[C@H]1OC ZINC001081801250 1089474577 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/nfs/dbraw/zinc/82/88/51/1090828851.db2.gz MLLPQJPJULXTMT-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccn2ccnc12 ZINC001273393973 1091148556 /nfs/dbraw/zinc/14/85/56/1091148556.db2.gz CSMHAWULKBOCJY-IAGOWNOFSA-N 0 3 324.428 2.476 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cc(OC)ccc2C)C1=O ZINC001274409417 1091228691 /nfs/dbraw/zinc/22/86/91/1091228691.db2.gz QKFYFFRXVDAODH-LJQANCHMSA-N 0 3 312.413 2.204 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)OCC2CC2)C(C)(C)C1 ZINC001274415983 1091231737 /nfs/dbraw/zinc/23/17/37/1091231737.db2.gz KISJBJULPWCTQX-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN CN1CC[C@@]2(CCN(Cc3cc(Cl)cc(C#N)c3)C2)C1=O ZINC001274426149 1091239231 /nfs/dbraw/zinc/23/92/31/1091239231.db2.gz VRAKHSHFCMCSNZ-INIZCTEOSA-N 0 3 303.793 2.266 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)COCC2CCCC2)CC1 ZINC001273427495 1091351793 /nfs/dbraw/zinc/35/17/93/1091351793.db2.gz JSGOBHQLEAQAMT-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(C)c(F)cc3F)C2)C1=O ZINC001274724271 1091388102 /nfs/dbraw/zinc/38/81/02/1091388102.db2.gz SWOSPTJNWHBNEL-GOSISDBHSA-N 0 3 318.367 2.331 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001274877634 1091460046 /nfs/dbraw/zinc/46/00/46/1091460046.db2.gz FWEQENGAUSEDOD-RHSMWYFYSA-N 0 3 320.408 2.087 20 30 DEEDHN Cc1ncsc1CCN1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001494818649 1091477949 /nfs/dbraw/zinc/47/79/49/1091477949.db2.gz GITHTDCBFPOLDE-OAHLLOKOSA-N 0 3 319.474 2.186 20 30 DEEDHN CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C#N)CCOCC1 ZINC001275057608 1091537716 /nfs/dbraw/zinc/53/77/16/1091537716.db2.gz LVMICKNPEUZIJG-HRCADAONSA-N 0 3 319.449 2.028 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1(C2CC2)CC1 ZINC001275121973 1091571922 /nfs/dbraw/zinc/57/19/22/1091571922.db2.gz UFGQNKGFCCUTPH-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275128881 1091572635 /nfs/dbraw/zinc/57/26/35/1091572635.db2.gz 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/nfs/dbraw/zinc/90/66/48/1091906648.db2.gz JPPYGVVFZNWIML-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2CCC(OC)CC2)CC1 ZINC000948729436 1091906709 /nfs/dbraw/zinc/90/67/09/1091906709.db2.gz JPPYGVVFZNWIML-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@]12CCO[C@H]1CCCC2 ZINC001273534843 1091908322 /nfs/dbraw/zinc/90/83/22/1091908322.db2.gz LGZAADDMCNGICN-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)Cc1ccccc1F ZINC001273561449 1091923719 /nfs/dbraw/zinc/92/37/19/1091923719.db2.gz YXKDRSCEZSOUEB-HNNXBMFYSA-N 0 3 304.409 2.418 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001195422859 1092002065 /nfs/dbraw/zinc/00/20/65/1092002065.db2.gz NJNCSBXAYZPBDH-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1ccc(OC2CCC2)cc1 ZINC001273764872 1092039413 /nfs/dbraw/zinc/03/94/13/1092039413.db2.gz JWNJAUNRCGKRKX-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccc(C)cc1)CCO2 ZINC000949236366 1092078112 /nfs/dbraw/zinc/07/81/12/1092078112.db2.gz UJEBTTIQMIOOFB-UHFFFAOYSA-N 0 3 314.429 2.488 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)cc1 ZINC001275828880 1092190257 /nfs/dbraw/zinc/19/02/57/1092190257.db2.gz KUBVHIZBPKHJFT-KDURUIRLSA-N 0 3 311.429 2.386 20 30 DEEDHN C#CCCCN1CC2(C1)CCN(C(=O)c1cccc3nc[nH]c31)C2 ZINC001275976017 1092420605 /nfs/dbraw/zinc/42/06/05/1092420605.db2.gz WJMMYAWQLQTHJP-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)C2=COCCC2)cc1 ZINC001273899493 1092489136 /nfs/dbraw/zinc/48/91/36/1092489136.db2.gz FDILIADWYFJWHX-OWOJBTEDSA-N 0 3 311.385 2.015 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2onc(C)c2c1 ZINC001273900116 1092489460 /nfs/dbraw/zinc/48/94/60/1092489460.db2.gz YHEPKDOHUOXWQB-IAGOWNOFSA-N 0 3 323.396 2.335 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001488660737 1092698278 /nfs/dbraw/zinc/69/82/78/1092698278.db2.gz XPBDVWJARMMBEZ-CRAIPNDOSA-N 0 3 323.481 2.016 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](CNC(=O)C(C)C)C1 ZINC001488713432 1092727365 /nfs/dbraw/zinc/72/73/65/1092727365.db2.gz JESZXMLYHAVADU-FZNQNYSPSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccc(CC)cn2)C1 ZINC001488775093 1092745703 /nfs/dbraw/zinc/74/57/03/1092745703.db2.gz PAMODIGSGHSSLR-FZNQNYSPSA-N 0 3 321.852 2.423 20 30 DEEDHN C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]cn1 ZINC001489037847 1092895521 /nfs/dbraw/zinc/89/55/21/1092895521.db2.gz UTEXWDNSYXHUFF-DOMZBBRYSA-N 0 3 324.856 2.312 20 30 DEEDHN COc1cccc(CN2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)c1C ZINC001489254664 1092986401 /nfs/dbraw/zinc/98/64/01/1092986401.db2.gz ATLDRFODMNBMSC-BJJXKVORSA-N 0 3 315.417 2.242 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCC(=O)N(C)CC)C1 ZINC001489234746 1092997988 /nfs/dbraw/zinc/99/79/88/1092997988.db2.gz UKSVLQFRNPRLLT-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C)nn1)C1CC1 ZINC001495250058 1093081807 /nfs/dbraw/zinc/08/18/07/1093081807.db2.gz RWTKNBVYGNXXHB-OAHLLOKOSA-N 0 3 308.813 2.026 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc2c1O[C@@H](C)C2)C1CC1 ZINC001490378546 1093333634 /nfs/dbraw/zinc/33/36/34/1093333634.db2.gz HPSMREPDKUKPMG-AWEZNQCLSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCN(CCCNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)C1CC1 ZINC001490389990 1093340572 /nfs/dbraw/zinc/34/05/72/1093340572.db2.gz IUPZFIHDTKIQQQ-SJLPKXTDSA-N 0 3 320.477 2.432 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC001490437411 1093383658 /nfs/dbraw/zinc/38/36/58/1093383658.db2.gz SSXDVFBOBSJGBK-SJORKVTESA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)F ZINC001490792149 1093533427 /nfs/dbraw/zinc/53/34/27/1093533427.db2.gz DZVZDCCYDDVXEQ-OKILXGFUSA-N 0 3 316.392 2.300 20 30 DEEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2CCCC(=O)OCC ZINC001273970540 1093599886 /nfs/dbraw/zinc/59/98/86/1093599886.db2.gz RYUYHDPFRPWYOT-GOSISDBHSA-N 0 3 322.449 2.363 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1C ZINC001490802088 1093609580 /nfs/dbraw/zinc/60/95/80/1093609580.db2.gz XMZZGSMJHIDSBY-IYBDPMFKSA-N 0 3 316.449 2.292 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001490814682 1093721435 /nfs/dbraw/zinc/72/14/35/1093721435.db2.gz FGCXLHLLYUQTPJ-NSHDSACASA-N 0 3 314.838 2.295 20 30 DEEDHN Cc1cc(CN(CCCNC(=O)C#CC2CC2)C(C)C)on1 ZINC001691726027 1138213902 /nfs/dbraw/zinc/21/39/02/1138213902.db2.gz BVVXWNYOZNZHEH-UHFFFAOYSA-N 0 3 303.406 2.113 20 30 DEEDHN COc1ccc2c(c1)[nH]nc2CN1CCC2SC(=O)C=C2C1 ZINC001237387923 1138601422 /nfs/dbraw/zinc/60/14/22/1138601422.db2.gz LNQNAVBVTYJTKD-HNNXBMFYSA-N 0 3 315.398 2.346 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccc(C)cc2C)C1 ZINC001278146557 1138789104 /nfs/dbraw/zinc/78/91/04/1138789104.db2.gz HGHYMOTZKQBCJQ-QGZVFWFLSA-N 0 3 316.445 2.226 20 30 DEEDHN N#CCC1CN(C(=O)[C@@]23C[C@@H]2CCN3CCc2ccccc2)C1 ZINC001278167182 1138812309 /nfs/dbraw/zinc/81/23/09/1138812309.db2.gz FAHQWRXLUINPBX-PKOBYXMFSA-N 0 3 309.413 2.066 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCO[C@@H](CC)C1)C1CCN(CC=C)CC1 ZINC001278194528 1138826578 /nfs/dbraw/zinc/82/65/78/1138826578.db2.gz PTPBVRSFKPZISA-AEFFLSMTSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCOc1ccccc1CN1CCC2(C[C@@H]2C(N)=O)CC1 ZINC001278198810 1138832415 /nfs/dbraw/zinc/83/24/15/1138832415.db2.gz LKZALXXPBOXUHX-OAHLLOKOSA-N 0 3 300.402 2.339 20 30 DEEDHN N#Cc1cc(CN2CCC[C@@]3(CCNC3=O)C2)ccc1Cl ZINC001238192547 1138834061 /nfs/dbraw/zinc/83/40/61/1138834061.db2.gz UFSOEZUSYHJBPE-MRXNPFEDSA-N 0 3 303.793 2.314 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](CNCc1n[nH]c(C)n1)C1CCCC1 ZINC001278258537 1138862366 /nfs/dbraw/zinc/86/23/66/1138862366.db2.gz GDWIPCFGZKCSKT-AWEZNQCLSA-N 0 3 319.453 2.090 20 30 DEEDHN C=CCCCC(=O)NC1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001295398880 1139382015 /nfs/dbraw/zinc/38/20/15/1139382015.db2.gz UONNKYMGUYYUAS-UYSNPLJNSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001295597673 1139459643 /nfs/dbraw/zinc/45/96/43/1139459643.db2.gz LPYPSIBWWBCYPB-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCn1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cn1 ZINC001240649419 1139499222 /nfs/dbraw/zinc/49/92/22/1139499222.db2.gz NHXITDKYAHSXFN-GFCCVEGCSA-N 0 3 313.361 2.309 20 30 DEEDHN CN1CCC=C(c2ccc(CN3CCS/C3=N\C#N)cn2)C1 ZINC001241567084 1139828709 /nfs/dbraw/zinc/82/87/09/1139828709.db2.gz JNUNVUHHPXLQSG-MNDPQUGUSA-N 0 3 313.430 2.186 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001297325275 1139860125 /nfs/dbraw/zinc/86/01/25/1139860125.db2.gz GUPRHEGVBIIZCY-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(OC)ccc(F)c1OC ZINC001297373021 1139864651 /nfs/dbraw/zinc/86/46/51/1139864651.db2.gz KTEGGVGLKXHXML-UHFFFAOYSA-N 0 3 324.396 2.423 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(OC)c(F)c1 ZINC001297380447 1139864929 /nfs/dbraw/zinc/86/49/29/1139864929.db2.gz ZAYRSDMSLPNNJN-UHFFFAOYSA-N 0 3 308.397 2.343 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C3(CCCC)CC3)CC2)C1 ZINC001278350338 1140010144 /nfs/dbraw/zinc/01/01/44/1140010144.db2.gz UPLMFLDKNMBPFO-KRWDZBQOSA-N 0 3 319.493 2.361 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2coc3c2cccc3OC)C1 ZINC001491725180 1140287319 /nfs/dbraw/zinc/28/73/19/1140287319.db2.gz AIEZJOGTCAXZKF-ZDUSSCGKSA-N 0 3 312.369 2.269 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001318424317 1140324417 /nfs/dbraw/zinc/32/44/17/1140324417.db2.gz IVXDCQLFDBKFGW-FUHWJXTLSA-N 0 3 318.465 2.098 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001278385041 1140386050 /nfs/dbraw/zinc/38/60/50/1140386050.db2.gz PWGXWFNBGKNLKD-DOTOQJQBSA-N 0 3 322.412 2.088 20 30 DEEDHN Cc1csc(CNCC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001318778457 1140413134 /nfs/dbraw/zinc/41/31/34/1140413134.db2.gz DTRROYOPVXKGAT-TZMCWYRMSA-N 0 3 320.462 2.330 20 30 DEEDHN CCC[C@H](C)C(=O)N1CCC2(CCN(CC#CCOC)C2)CC1 ZINC001319139631 1140511778 /nfs/dbraw/zinc/51/17/78/1140511778.db2.gz 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/nfs/dbraw/zinc/65/74/79/1140657479.db2.gz LYRLMTFKSHLHOQ-RDJZCZTQSA-N 0 3 316.449 2.033 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cscn2)[C@H](C)C1 ZINC001319708820 1140677815 /nfs/dbraw/zinc/67/78/15/1140677815.db2.gz GEYXTJWNUQCIPJ-UKRRQHHQSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CCNCc1cnoc1C ZINC001319735930 1140697126 /nfs/dbraw/zinc/69/71/26/1140697126.db2.gz KXLJBRNLJAHTOB-MRXNPFEDSA-N 0 3 321.421 2.046 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccnn1-c1ccccc1 ZINC001320021749 1140812713 /nfs/dbraw/zinc/81/27/13/1140812713.db2.gz RYBXCFCTBUQVFW-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001320084346 1140819764 /nfs/dbraw/zinc/81/97/64/1140819764.db2.gz HYDVJIBHRLZYHY-INIZCTEOSA-N 0 3 316.445 2.287 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2cnoc2C)C1 ZINC001320097650 1140821371 /nfs/dbraw/zinc/82/13/71/1140821371.db2.gz NWUSKPQHCPBXMP-NVXWUHKLSA-N 0 3 315.417 2.209 20 30 DEEDHN Cc1ncoc1CNC[C@@H]1CCC[C@@H]1NC(=O)C#CC(C)C ZINC001320130292 1140826241 /nfs/dbraw/zinc/82/62/41/1140826241.db2.gz BWYQAXSJSUBMDA-GJZGRUSLSA-N 0 3 303.406 2.017 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnn(C(F)F)c1 ZINC001320588224 1140883184 /nfs/dbraw/zinc/88/31/84/1140883184.db2.gz RUGLDUKQGXTXHN-SECBINFHSA-N 0 3 306.744 2.129 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)C(C)(C)F ZINC001320662744 1140891329 /nfs/dbraw/zinc/89/13/29/1140891329.db2.gz QCIWQQYEPWXBBL-UHFFFAOYSA-N 0 3 309.360 2.384 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC/C=C\CNCc1cc(F)ccc1C ZINC001321037972 1141036216 /nfs/dbraw/zinc/03/62/16/1141036216.db2.gz AZLNVALHKKVBLK-XFHJGTJQSA-N 0 3 320.408 2.223 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)C(C1CCC1)C1CCC1 ZINC001321210993 1141086426 /nfs/dbraw/zinc/08/64/26/1141086426.db2.gz MAAUBKOZOHDMIC-NSCUHMNNSA-N 0 3 318.461 2.115 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001321333450 1141173811 /nfs/dbraw/zinc/17/38/11/1141173811.db2.gz CEPKUEZHFAQBNZ-MVGZEHJDSA-N 0 3 315.417 2.158 20 30 DEEDHN CCCCCCCCNC(=S)N1CCOC[C@H]1CN(C)C ZINC001247158090 1141310028 /nfs/dbraw/zinc/31/00/28/1141310028.db2.gz JQBWADHTXUOWQS-OAHLLOKOSA-N 0 3 315.527 2.484 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001322263253 1141496197 /nfs/dbraw/zinc/49/61/97/1141496197.db2.gz XNYXTWWOTIWQKT-XOKHGSTOSA-N 0 3 302.418 2.421 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)C(C)(C)C(F)(F)F ZINC001322280854 1141502184 /nfs/dbraw/zinc/50/21/84/1141502184.db2.gz KQPHPIYPEAWKLF-LLVKDONJSA-N 0 3 310.360 2.214 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cn1ccnc1C(C)C ZINC001322725657 1141700693 /nfs/dbraw/zinc/70/06/93/1141700693.db2.gz ZDENNHAORPBZTR-UHFFFAOYSA-N 0 3 312.845 2.197 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCn2cccn2)[C@H]1C ZINC001278509492 1141827903 /nfs/dbraw/zinc/82/79/03/1141827903.db2.gz AZGCHXVITGSSMX-HOTGVXAUSA-N 0 3 318.465 2.455 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCc2cccc(C)c2)CC1 ZINC001323541092 1141863276 /nfs/dbraw/zinc/86/32/76/1141863276.db2.gz HSKWSVOGQJLJNF-SJORKVTESA-N 0 3 314.429 2.325 20 30 DEEDHN CC#CCNC1(CNC(=O)COC[C@@H](C)c2ccccc2)CC1 ZINC001323603170 1141868790 /nfs/dbraw/zinc/86/87/90/1141868790.db2.gz UBEGYCDPGNAQBA-MRXNPFEDSA-N 0 3 314.429 2.068 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc(OC)cc3OC)no2)CCCN1 ZINC001249351930 1141877388 /nfs/dbraw/zinc/87/73/88/1141877388.db2.gz PYGFOMPBCCUKAJ-QGZVFWFLSA-N 0 3 313.357 2.356 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)COCc2ccncc2)[C@H]1C ZINC001278526917 1141999259 /nfs/dbraw/zinc/99/92/59/1141999259.db2.gz OBAOTTUHYJKAJX-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCC[C@H]1CC)C1CCN(CCOC)CC1 ZINC001324420209 1142074431 /nfs/dbraw/zinc/07/44/31/1142074431.db2.gz NWDZFKBODVTXRD-AEFFLSMTSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cnc2onc(CC)c2c1 ZINC001329623564 1148946152 /nfs/dbraw/zinc/94/61/52/1148946152.db2.gz KVNPWBFYSDSZBG-NSHDSACASA-N 0 3 302.378 2.021 20 30 DEEDHN C#CCN(C)C[C@H](O)COCc1c(Cl)cccc1Cl ZINC001250902745 1142345840 /nfs/dbraw/zinc/34/58/40/1142345840.db2.gz DSQJFPOOTWQTLL-NSHDSACASA-N 0 3 302.201 2.436 20 30 DEEDHN C#CCOC[C@@H](O)CN(C)Cc1cccc(C(F)(F)F)c1 ZINC001251848002 1142521320 /nfs/dbraw/zinc/52/13/20/1142521320.db2.gz RGWYDMFEYVFZIQ-AWEZNQCLSA-N 0 3 301.308 2.148 20 30 DEEDHN CC1(C)Nc2ccccc2[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC001337086206 1142679644 /nfs/dbraw/zinc/67/96/44/1142679644.db2.gz BQJUJPLMUHSRCH-DZGCQCFKSA-N 0 3 300.406 2.459 20 30 DEEDHN C[C@@H](CCN1CCN(C)CC1)Nc1cc(C#N)cc(Cl)n1 ZINC001337118294 1142688701 /nfs/dbraw/zinc/68/87/01/1142688701.db2.gz LEGFAZBFRMWHGJ-LBPRGKRZSA-N 0 3 307.829 2.045 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC(Oc2cccc(F)c2)CC1 ZINC001252466504 1142722428 /nfs/dbraw/zinc/72/24/28/1142722428.db2.gz POMSXVNUDUSYFG-HNNXBMFYSA-N 0 3 309.381 2.232 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCN(Cc2ccccc2)C[C@@H]1CC ZINC001252473746 1142726549 /nfs/dbraw/zinc/72/65/49/1142726549.db2.gz OZHBASIOLVXRCV-OALUTQOASA-N 0 3 318.461 2.146 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001252598524 1142781406 /nfs/dbraw/zinc/78/14/06/1142781406.db2.gz OXUBXTIGUSUDEL-OAGGEKHMSA-N 0 3 318.417 2.143 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001252603895 1142786257 /nfs/dbraw/zinc/78/62/57/1142786257.db2.gz HXNONZZUOAUSFO-IAGOWNOFSA-N 0 3 320.408 2.347 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)C2CCC=CCC2)CC1(C)C ZINC001278691017 1142836085 /nfs/dbraw/zinc/83/60/85/1142836085.db2.gz WBKUJRHRXMWVKC-KRWDZBQOSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001253238140 1142856311 /nfs/dbraw/zinc/85/63/11/1142856311.db2.gz BTJDRHXPDJNOOR-CYBMUJFWSA-N 0 3 321.421 2.133 20 30 DEEDHN C=CCCCCCC[C@@H](O)CNC1CN(c2ccncn2)C1 ZINC001253254073 1142857302 /nfs/dbraw/zinc/85/73/02/1142857302.db2.gz MFVCIULDRXDEKI-MRXNPFEDSA-N 0 3 304.438 2.142 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN[C@@H](CC(C)C)C(=O)NO ZINC001253256606 1142857584 /nfs/dbraw/zinc/85/75/84/1142857584.db2.gz CKTSWAWYRMCIED-CABCVRRESA-N 0 3 300.443 2.384 20 30 DEEDHN C=C[C@@H](O)CNCc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC001253607494 1142883821 /nfs/dbraw/zinc/88/38/21/1142883821.db2.gz XXUZUYWVWVLSPT-GFCCVEGCSA-N 0 3 313.344 2.159 20 30 DEEDHN CC(C)(C)C#CCNC[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253661849 1142888466 /nfs/dbraw/zinc/88/84/66/1142888466.db2.gz RAMLQDUVFAQQNQ-GOSISDBHSA-N 0 3 303.402 2.120 20 30 DEEDHN CN(C)c1cccc(Cl)c1CNC1CCN(CC#N)CC1 ZINC001254183825 1143053104 /nfs/dbraw/zinc/05/31/04/1143053104.db2.gz FWJKFCGKNHOOTL-UHFFFAOYSA-N 0 3 306.841 2.484 20 30 DEEDHN CC[C@](N)(CO)NC1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348247 1143085600 /nfs/dbraw/zinc/08/56/00/1143085600.db2.gz DYICJUGKQJZTDJ-OFLPRAFFSA-N 0 3 305.397 2.177 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC001339862132 1143140698 /nfs/dbraw/zinc/14/06/98/1143140698.db2.gz SIIDNNGHPCFEGL-CQSZACIVSA-N 0 3 303.362 2.265 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC001254673975 1143308289 /nfs/dbraw/zinc/30/82/89/1143308289.db2.gz RXUNXGRQKFLOQU-UKRRQHHQSA-N 0 3 323.400 2.121 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001254673683 1143308555 /nfs/dbraw/zinc/30/85/55/1143308555.db2.gz MZMIUTVOUKJDJT-MSOLQXFVSA-N 0 3 311.429 2.456 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CCSC1 ZINC001340443193 1143347964 /nfs/dbraw/zinc/34/79/64/1143347964.db2.gz IBYSIAGYSLGENH-ZIAGYGMSSA-N 0 3 321.494 2.215 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001340552906 1143369312 /nfs/dbraw/zinc/36/93/12/1143369312.db2.gz GQRHZSQCUVQYGX-DOMZBBRYSA-N 0 3 315.417 2.432 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC001340721027 1143410959 /nfs/dbraw/zinc/41/09/59/1143410959.db2.gz SPRIJGSYEUQXCY-HZPDHXFCSA-N 0 3 321.469 2.205 20 30 DEEDHN CC[C@@H](CC#N)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001255154141 1143449466 /nfs/dbraw/zinc/44/94/66/1143449466.db2.gz CYHIYOKNJXIGFY-AWEZNQCLSA-N 0 3 321.446 2.122 20 30 DEEDHN CC[C@H](CC#N)NCC1CCN(C(=O)c2ccncc2)CC1 ZINC001255160266 1143450056 /nfs/dbraw/zinc/45/00/56/1143450056.db2.gz GRMBVSQNRKXUAV-MRXNPFEDSA-N 0 3 300.406 2.216 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ncc(Br)s1 ZINC001340917872 1143494402 /nfs/dbraw/zinc/49/44/02/1143494402.db2.gz QSLRPOMARJJQSX-QMMMGPOBSA-N 0 3 318.240 2.205 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC1(C(=O)N(CC)CC)CCCCC1 ZINC001341493314 1143614587 /nfs/dbraw/zinc/61/45/87/1143614587.db2.gz MRYSVDUPULNRNN-OAHLLOKOSA-N 0 3 323.481 2.358 20 30 DEEDHN C=CC1(CC(=O)C(C#N)C(=O)NCCCOC)CCCCC1 ZINC001342022977 1143772807 /nfs/dbraw/zinc/77/28/07/1143772807.db2.gz WBVHEWOSLSUUGC-AWEZNQCLSA-N 0 3 306.406 2.375 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)COC1 ZINC001342034850 1143773682 /nfs/dbraw/zinc/77/36/82/1143773682.db2.gz JVCLIFRNJIMXKI-AWEZNQCLSA-N 0 3 300.358 2.459 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)[C@@H]2CCCO2)cc1 ZINC001342054596 1143777392 /nfs/dbraw/zinc/77/73/92/1143777392.db2.gz PEKYHXUBDGRTGN-GLQYFDAESA-N 0 3 316.357 2.158 20 30 DEEDHN C=CCOCc1nnc(N2CCN([C@H](C)CC)CC2)n1CC=C ZINC001342232698 1143805389 /nfs/dbraw/zinc/80/53/89/1143805389.db2.gz MYEBQWGYXPTIKL-OAHLLOKOSA-N 0 3 319.453 2.087 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1nncc2ccccc21)C(C)C ZINC001278912358 1143830271 /nfs/dbraw/zinc/83/02/71/1143830271.db2.gz NOQZJZLNZXQABU-UHFFFAOYSA-N 0 3 324.428 2.436 20 30 DEEDHN CCCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001278941681 1143851190 /nfs/dbraw/zinc/85/11/90/1143851190.db2.gz APNRYIISXZQWOR-BBWFWOEESA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCC2CCOCC2)CC1 ZINC001279097087 1144004355 /nfs/dbraw/zinc/00/43/55/1144004355.db2.gz KQTBKZNFYUIIFI-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)COc2ccccc2F)CC1 ZINC001279104892 1144119777 /nfs/dbraw/zinc/11/97/77/1144119777.db2.gz PXEDZECMKPXAFX-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN CN(C)c1cccc(CNCCC(=O)Nc2cccc(C#N)c2)n1 ZINC001261437234 1144247394 /nfs/dbraw/zinc/24/73/94/1144247394.db2.gz 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COc1ccc(Cl)cc1CNC[C@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001421875465 1172076971 /nfs/dbraw/zinc/07/69/71/1172076971.db2.gz UFYDBMMJTOCUID-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN N#C[C@]1(F)CCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000615665053 362674829 /nfs/dbraw/zinc/67/48/29/362674829.db2.gz UZOMQMFNACPHMT-QGZVFWFLSA-N 0 3 301.365 2.360 20 30 DEEDHN C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1=CCN(C)CC1 ZINC000272634979 210036842 /nfs/dbraw/zinc/03/68/42/210036842.db2.gz BDKRDDLKDUQDMM-LLVKDONJSA-N 0 3 302.353 2.469 20 30 DEEDHN CN1CC=C(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279900416 215220181 /nfs/dbraw/zinc/22/01/81/215220181.db2.gz ZOXOZQRYADCSJP-UHFFFAOYSA-N 0 3 322.368 2.205 20 30 DEEDHN CCn1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000616785421 362933287 /nfs/dbraw/zinc/93/32/87/362933287.db2.gz RWBMSUVNGYYUDB-QGZVFWFLSA-N 0 3 313.401 2.251 20 30 DEEDHN Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)c(OCCN(C)C)c1 ZINC000177878519 186197789 /nfs/dbraw/zinc/19/77/89/186197789.db2.gz OAYRFJJLKQTVPB-UHFFFAOYSA-N 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KTRICWBZMBAAFN-INIZCTEOSA-N 0 3 323.400 2.051 20 30 DEEDHN C[C@@H]1CN(CCCNC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000277134064 213317448 /nfs/dbraw/zinc/31/74/48/213317448.db2.gz BBXUYNJKQCFMFU-CQSZACIVSA-N 0 3 316.405 2.181 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)COc2ccccc2C#N)cc1 ZINC000015140393 354030817 /nfs/dbraw/zinc/03/08/17/354030817.db2.gz MQFREZFDWSWMMM-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN Cc1ccc(CNC[C@H](O)COc2ccccc2C#N)s1 ZINC000050225461 354369467 /nfs/dbraw/zinc/36/94/67/354369467.db2.gz HIINZOQOPMDMDH-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000067163097 354750102 /nfs/dbraw/zinc/75/01/02/354750102.db2.gz PZNIFQYYDGOASD-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN Cc1cc(CN[C@H]2CCCc3c2cnn3CCO)ccc1C#N ZINC000618192017 363409505 /nfs/dbraw/zinc/40/95/05/363409505.db2.gz TTYFCIGIAODFTI-KRWDZBQOSA-N 0 3 310.401 2.223 20 30 DEEDHN COc1ccc(CN(CCO)[C@H]2CCCSC2)cc1C#N ZINC000355477479 283064243 /nfs/dbraw/zinc/06/42/43/283064243.db2.gz VRTZDWQZRTZBMQ-HNNXBMFYSA-N 0 3 306.431 2.257 20 30 DEEDHN C=CCOc1ccccc1CN1CCC2(CNC(=O)C2)CC1 ZINC000353679990 540070858 /nfs/dbraw/zinc/07/08/58/540070858.db2.gz IOPPPBDKGKBJSH-UHFFFAOYSA-N 0 3 300.402 2.354 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C#N ZINC000078557773 355266679 /nfs/dbraw/zinc/26/66/79/355266679.db2.gz DEENPKKNBHLVHT-ZDUSSCGKSA-N 0 3 305.451 2.497 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000329282401 283094474 /nfs/dbraw/zinc/09/44/74/283094474.db2.gz MVDZWQKREVGTMB-RBSFLKMASA-N 0 3 317.437 2.117 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000347050956 283103364 /nfs/dbraw/zinc/10/33/64/283103364.db2.gz JFIUWRRUYIGSKP-HUUCEWRRSA-N 0 3 321.465 2.464 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(OC)cc2OC)CC1 ZINC000087393340 355509946 /nfs/dbraw/zinc/50/99/46/355509946.db2.gz PICUTFHMDBYQQP-UHFFFAOYSA-N 0 3 320.364 2.127 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000182072410 356108606 /nfs/dbraw/zinc/10/86/06/356108606.db2.gz XFAWFNLHAUOCGY-HOCLYGCPSA-N 0 3 323.481 2.213 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000182581437 356132504 /nfs/dbraw/zinc/13/25/04/356132504.db2.gz NMONULIFCWWFDJ-AWEZNQCLSA-N 0 3 314.433 2.282 20 30 DEEDHN C[C@H](C#N)CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000182621067 356134083 /nfs/dbraw/zinc/13/40/83/356134083.db2.gz XCMJSUMTWRTFAF-CYBMUJFWSA-N 0 3 320.462 2.419 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000182843761 356148470 /nfs/dbraw/zinc/14/84/70/356148470.db2.gz ZGMNOZXNBKQIOC-ZDUSSCGKSA-N 0 3 306.385 2.059 20 30 DEEDHN C#CCOc1ccc(Br)cc1CNCC1(CO)CC1 ZINC000080246360 192017183 /nfs/dbraw/zinc/01/71/83/192017183.db2.gz DGCYDHFWCXTYPL-UHFFFAOYSA-N 0 3 324.218 2.323 20 30 DEEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(-n2cnnn2)c1 ZINC000320062215 356443097 /nfs/dbraw/zinc/44/30/97/356443097.db2.gz UWKLCEFQWGLAMY-ZDUSSCGKSA-N 0 3 304.357 2.385 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000595639858 358509741 /nfs/dbraw/zinc/50/97/41/358509741.db2.gz XYJITTJROLAPOZ-CYBMUJFWSA-N 0 3 321.377 2.446 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCCO1 ZINC000495924924 356738800 /nfs/dbraw/zinc/73/88/00/356738800.db2.gz BQNPWSVGTXBZJZ-RBSFLKMASA-N 0 3 323.437 2.294 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)Nc3cnc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000579584908 356998258 /nfs/dbraw/zinc/99/82/58/356998258.db2.gz JOFXARJTUUDBGQ-IINYFYTJSA-N 0 3 319.796 2.165 20 30 DEEDHN C[C@@H](NC(=O)NCC1(C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000579748037 357026731 /nfs/dbraw/zinc/02/67/31/357026731.db2.gz LFFYRETVCFADOD-UKRRQHHQSA-N 0 3 300.406 2.281 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000579676613 357011519 /nfs/dbraw/zinc/01/15/19/357011519.db2.gz ITQGFWMVBZLOKP-KYOSRNDESA-N 0 3 302.374 2.402 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1cccc(C#N)n1 ZINC000580951160 357107481 /nfs/dbraw/zinc/10/74/81/357107481.db2.gz YFXICHHZCOQHAO-STQMWFEESA-N 0 3 301.394 2.195 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000581115290 357132562 /nfs/dbraw/zinc/13/25/62/357132562.db2.gz AGJYZNOYEPUVKY-IINYFYTJSA-N 0 3 319.796 2.165 20 30 DEEDHN CN1CC[C@](O)(CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000581485324 357195146 /nfs/dbraw/zinc/19/51/46/357195146.db2.gz LIHJEHUGEICSAP-INIZCTEOSA-N 0 3 316.792 2.238 20 30 DEEDHN CCCN(CCN1CCCCC1)CC(=O)N(CC)C[C@@H](C)C#N ZINC000353157334 283249985 /nfs/dbraw/zinc/24/99/85/283249985.db2.gz VRGQLUXGAQNWFC-KRWDZBQOSA-N 0 3 322.497 2.192 20 30 DEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000581863187 357257175 /nfs/dbraw/zinc/25/71/75/357257175.db2.gz OXGWTHJDMAHNHG-WJNMYVKJSA-N 0 3 309.413 2.425 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCCCCC#N ZINC000588722830 357419884 /nfs/dbraw/zinc/41/98/84/357419884.db2.gz AHJCNDAMTJQZKV-HNNXBMFYSA-N 0 3 307.438 2.172 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc(C#N)c1 ZINC000589893124 357503892 /nfs/dbraw/zinc/50/38/92/357503892.db2.gz JWADPKJZELZSPS-RDTXWAMCSA-N 0 3 312.417 2.356 20 30 DEEDHN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000590867798 357630660 /nfs/dbraw/zinc/63/06/60/357630660.db2.gz DDHMPCKJLVRQQM-OAGGEKHMSA-N 0 3 314.385 2.217 20 30 DEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)CC(C)(C)CC#N)C[C@H]1C ZINC000590747945 357599316 /nfs/dbraw/zinc/59/93/16/357599316.db2.gz KQYAAQNMWWWVLL-ZIAGYGMSSA-N 0 3 315.483 2.061 20 30 DEEDHN CCN1CC[C@@H](N(C)S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1C ZINC000590747944 357599793 /nfs/dbraw/zinc/59/97/93/357599793.db2.gz KQYAAQNMWWWVLL-UONOGXRCSA-N 0 3 315.483 2.061 20 30 DEEDHN C[C@@H]1CN(C(=O)NCC2(C#N)CCC2)CCN(C2CCC2)C1 ZINC000591414693 357719270 /nfs/dbraw/zinc/71/92/70/357719270.db2.gz NBERHUYHFKWKBE-AWEZNQCLSA-N 0 3 304.438 2.196 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC000292356365 223017045 /nfs/dbraw/zinc/01/70/45/223017045.db2.gz XRGSLXQYTPQAHH-ZWKOTPCHSA-N 0 3 323.396 2.010 20 30 DEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@H](O)C(F)(F)F ZINC000591785396 357761201 /nfs/dbraw/zinc/76/12/01/357761201.db2.gz MHSFIVXVJNKPII-UHTWSYAYSA-N 0 3 314.307 2.187 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000455438110 295950995 /nfs/dbraw/zinc/95/09/95/295950995.db2.gz XQTIMHPSLCVUOC-USXIJHARSA-N 0 3 314.433 2.418 20 30 DEEDHN N#CCCC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000592135839 357837412 /nfs/dbraw/zinc/83/74/12/357837412.db2.gz BIPKUBWYJXCHEB-KRWDZBQOSA-N 0 3 313.401 2.314 20 30 DEEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593027660 357990954 /nfs/dbraw/zinc/99/09/54/357990954.db2.gz VDQWUXAEWGZRNI-IUODEOHRSA-N 0 3 303.362 2.449 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000594337785 358245585 /nfs/dbraw/zinc/24/55/85/358245585.db2.gz LSCPDCXXRMBANW-ZTFGCOKTSA-N 0 3 311.429 2.289 20 30 DEEDHN N#Cc1cnc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594198260 358221835 /nfs/dbraw/zinc/22/18/35/358221835.db2.gz TZXRPAQDGWSHRT-UONOGXRCSA-N 0 3 318.808 2.353 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000595657940 358514344 /nfs/dbraw/zinc/51/43/44/358514344.db2.gz CTTXJLQGJPYKKX-CQSZACIVSA-N 0 3 307.438 2.433 20 30 DEEDHN C[C@@H]1CN([C@H](C#N)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000595411934 358442152 /nfs/dbraw/zinc/44/21/52/358442152.db2.gz PVDOCOKEERLTPT-BHIYHBOVSA-N 0 3 312.461 2.209 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCN1C ZINC000618815999 363611216 /nfs/dbraw/zinc/61/12/16/363611216.db2.gz XLDZZHOXPMUJPS-ISTRZQFTSA-N 0 3 312.417 2.327 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1=CCN(C)CC1 ZINC000618826631 363612156 /nfs/dbraw/zinc/61/21/56/363612156.db2.gz IELQZBKXKVUYSR-UGSOOPFHSA-N 0 3 324.428 2.495 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000596550853 358711367 /nfs/dbraw/zinc/71/13/67/358711367.db2.gz OEBAYEVGIPKQKK-RDJZCZTQSA-N 0 3 314.433 2.104 20 30 DEEDHN CN(CC1=CCCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598198528 359121155 /nfs/dbraw/zinc/12/11/55/359121155.db2.gz ZTWNEKIJHLQQJY-KRWDZBQOSA-N 0 3 309.369 2.046 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ncc(C#N)cc1Cl ZINC000598261865 359140417 /nfs/dbraw/zinc/14/04/17/359140417.db2.gz HFYOAHZLJBFWLD-LBPRGKRZSA-N 0 3 320.824 2.457 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCN(CCc2cccs2)CC1 ZINC000598587627 359251384 /nfs/dbraw/zinc/25/13/84/359251384.db2.gz SXPKKHVTPSDNHA-OAHLLOKOSA-N 0 3 321.490 2.209 20 30 DEEDHN CCc1nccn1[C@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598587526 359252424 /nfs/dbraw/zinc/25/24/24/359252424.db2.gz BLIOMACUPRSCHC-GJZGRUSLSA-N 0 3 304.438 2.383 20 30 DEEDHN COCCOc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598701569 359297132 /nfs/dbraw/zinc/29/71/32/359297132.db2.gz XJFMVDCOXZQHNX-OAHLLOKOSA-N 0 3 306.406 2.102 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cnn(Cc2ccccc2)c1 ZINC000598714093 359302029 /nfs/dbraw/zinc/30/20/29/359302029.db2.gz FOMMCUDILQIFMI-QGZVFWFLSA-N 0 3 312.417 2.322 20 30 DEEDHN C[C@@H]1C[C@H](NC[C@@H](O)CC(C)(C)C#N)C(=O)N1c1ccccc1 ZINC000598721560 359305820 /nfs/dbraw/zinc/30/58/20/359305820.db2.gz VJXFHVDAUIEXMP-KBMXLJTQSA-N 0 3 315.417 2.071 20 30 DEEDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1CO ZINC000598647957 359274625 /nfs/dbraw/zinc/27/46/25/359274625.db2.gz QJNBMHFNNZEWJY-KDOFPFPSSA-N 0 3 324.428 2.409 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](c2ccco2)C1 ZINC000599290759 359451353 /nfs/dbraw/zinc/45/13/53/359451353.db2.gz ANARBDJNTKYTOQ-JKSUJKDBSA-N 0 3 312.369 2.380 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555553 359524820 /nfs/dbraw/zinc/52/48/20/359524820.db2.gz PFZHEFLPRDTZKY-ZDUSSCGKSA-N 0 3 324.446 2.436 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1C[C@@H](O)C1 ZINC000599673181 359566670 /nfs/dbraw/zinc/56/66/70/359566670.db2.gz RATWRIACYIMWBF-XJADACSNSA-N 0 3 321.465 2.008 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](n2cccn2)C1 ZINC000428555277 237191048 /nfs/dbraw/zinc/19/10/48/237191048.db2.gz AKDDYKLREXZJIZ-SJORKVTESA-N 0 3 308.385 2.429 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000601548281 360069816 /nfs/dbraw/zinc/06/98/16/360069816.db2.gz NPHYJCICDNVSJY-CVEARBPZSA-N 0 3 319.380 2.217 20 30 DEEDHN N#Cc1ccnc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000602314737 360338431 /nfs/dbraw/zinc/33/84/31/360338431.db2.gz GBABXCNFDXEBOB-MRXNPFEDSA-N 0 3 306.369 2.414 20 30 DEEDHN CN(C)CCOc1cc(C(=O)Nc2sccc2C#N)ccn1 ZINC000602229567 360318936 /nfs/dbraw/zinc/31/89/36/360318936.db2.gz OQFCFGSRSHGXEP-UHFFFAOYSA-N 0 3 316.386 2.207 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ncccc1F ZINC000602582895 360444077 /nfs/dbraw/zinc/44/40/77/360444077.db2.gz RJXLXPVOQXCBBR-CYBMUJFWSA-N 0 3 307.369 2.288 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(N(C)C)nc1 ZINC000602509789 360409677 /nfs/dbraw/zinc/40/96/77/360409677.db2.gz SUJYZAHFZZFFCU-AWEZNQCLSA-N 0 3 302.422 2.336 20 30 DEEDHN CCC(C#N)(CC)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000602511824 360411302 /nfs/dbraw/zinc/41/13/02/360411302.db2.gz RPSOIVJUPWOGLD-LSDHHAIUSA-N 0 3 303.381 2.409 20 30 DEEDHN CCC(CC)C(=O)N1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602519083 360414894 /nfs/dbraw/zinc/41/48/94/360414894.db2.gz VGPBLWAEXYQUSM-UHFFFAOYSA-N 0 3 314.433 2.470 20 30 DEEDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602653212 360477537 /nfs/dbraw/zinc/47/75/37/360477537.db2.gz NIWHSKMHZUSFJE-RDTXWAMCSA-N 0 3 323.396 2.463 20 30 DEEDHN CC[C@H](CC#N)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602612742 360457470 /nfs/dbraw/zinc/45/74/70/360457470.db2.gz QEYZVUWEUHSLRW-GFCCVEGCSA-N 0 3 303.366 2.240 20 30 DEEDHN Cc1cncc(CCN2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602907994 360620899 /nfs/dbraw/zinc/62/08/99/360620899.db2.gz WPJUJSKMMZUJLA-UHFFFAOYSA-N 0 3 307.401 2.474 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603084879 360693752 /nfs/dbraw/zinc/69/37/52/360693752.db2.gz XKZDNZAZTQDCGS-UHFFFAOYSA-N 0 3 324.359 2.445 20 30 DEEDHN CC(C)(C)N1CCCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603133816 360714855 /nfs/dbraw/zinc/71/48/55/360714855.db2.gz ZKSLHEABRPRULG-UHFFFAOYSA-N 0 3 301.394 2.291 20 30 DEEDHN CN(C)CCn1cc(NC(=O)Nc2ccc(CC#N)cc2)cn1 ZINC000604509979 360911874 /nfs/dbraw/zinc/91/18/74/360911874.db2.gz OYKHWRHBZJIEQV-UHFFFAOYSA-N 0 3 312.377 2.155 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000670092875 540915793 /nfs/dbraw/zinc/91/57/93/540915793.db2.gz ZJZVAQMQCGIKCD-RTBURBONSA-N 0 3 314.429 2.212 20 30 DEEDHN C=CCC[C@H](NCCCN(C)S(C)(=O)=O)c1ccco1 ZINC000671741028 541006449 /nfs/dbraw/zinc/00/64/49/541006449.db2.gz WUDGUWQXGGYDQJ-ZDUSSCGKSA-N 0 3 300.424 2.158 20 30 DEEDHN C[C@@H](CC#N)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000609142999 361284643 /nfs/dbraw/zinc/28/46/43/361284643.db2.gz BBRBRFWNKNYINL-HOCLYGCPSA-N 0 3 300.406 2.054 20 30 DEEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C(C)C#N)CC1 ZINC000609921940 361349702 /nfs/dbraw/zinc/34/97/02/361349702.db2.gz YRIFWKSNQQTJCQ-CZUORRHYSA-N 0 3 305.422 2.176 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1cccc(C#N)c1 ZINC000610406567 361395173 /nfs/dbraw/zinc/39/51/73/361395173.db2.gz DNTZUGCLTTVQFM-YOEHRIQHSA-N 0 3 312.417 2.499 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000611205208 361549305 /nfs/dbraw/zinc/54/93/05/361549305.db2.gz NXIRUHXOJOOZFD-KBPBESRZSA-N 0 3 301.390 2.244 20 30 DEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000611551922 361627858 /nfs/dbraw/zinc/62/78/58/361627858.db2.gz XJAWONAYVKSTQA-YOEHRIQHSA-N 0 3 303.381 2.044 20 30 DEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000611552399 361628635 /nfs/dbraw/zinc/62/86/35/361628635.db2.gz XYXCRPCAJNEUNO-MAUKXSAKSA-N 0 3 317.408 2.435 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3cc4ccccc4n3CC#N)[C@H]2C1 ZINC000611521109 361621398 /nfs/dbraw/zinc/62/13/98/361621398.db2.gz VTOFMLJZZRWWLU-KDOFPFPSSA-N 0 3 322.412 2.331 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3cc4ccccc4n3CC#N)[C@H]2C1 ZINC000611521110 361621660 /nfs/dbraw/zinc/62/16/60/361621660.db2.gz VTOFMLJZZRWWLU-KSSFIOAISA-N 0 3 322.412 2.331 20 30 DEEDHN O=C(NC1CCN(C2CC2)CC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330232801 283705344 /nfs/dbraw/zinc/70/53/44/283705344.db2.gz XMRXHLHCSCETGL-AWEZNQCLSA-N 0 3 307.438 2.219 20 30 DEEDHN C=C[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)OC ZINC000619700350 363858401 /nfs/dbraw/zinc/85/84/01/363858401.db2.gz ULDBGWWZGNQGCB-MRXNPFEDSA-N 0 3 306.381 2.107 20 30 DEEDHN N#Cc1ccc([C@H](N[C@@H]2CCCC23CCOCC3)C(N)=O)cc1 ZINC000619723130 363866848 /nfs/dbraw/zinc/86/68/48/363866848.db2.gz BXRBVMNTDKLVSQ-CVEARBPZSA-N 0 3 313.401 2.024 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)NC2CC2)cc1 ZINC000449079024 240022196 /nfs/dbraw/zinc/02/21/96/240022196.db2.gz NQUKQTVQDLGAFU-LLVKDONJSA-N 0 3 302.378 2.073 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](C)NC2CC2)cc(OC)c1OC ZINC000449110899 240064489 /nfs/dbraw/zinc/06/44/89/240064489.db2.gz HNKLCMQGXZFMCS-GFCCVEGCSA-N 0 3 318.417 2.189 20 30 DEEDHN C#CCOc1ccc(CN2CCC(c3nncn3C)CC2)cc1 ZINC000091795271 193109832 /nfs/dbraw/zinc/10/98/32/193109832.db2.gz JTAOZKDHTBCRRW-UHFFFAOYSA-N 0 3 310.401 2.207 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000677047909 541537773 /nfs/dbraw/zinc/53/77/73/541537773.db2.gz KEBPPHAHSHKMFB-HUUCEWRRSA-N 0 3 304.438 2.121 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000677478727 541594614 /nfs/dbraw/zinc/59/46/14/541594614.db2.gz DAFTUFXFQKUIHE-KRWDZBQOSA-N 0 3 320.408 2.091 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000677478949 541594843 /nfs/dbraw/zinc/59/48/43/541594843.db2.gz GISSUKURFTZCCV-INIZCTEOSA-N 0 3 306.381 2.413 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccnn2CC2CCC2)CC1 ZINC000630942987 367923969 /nfs/dbraw/zinc/92/39/69/367923969.db2.gz MLNNYIVYRWQKAZ-UHFFFAOYSA-N 0 3 302.422 2.063 20 30 DEEDHN CCO[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C ZINC000451520814 243059985 /nfs/dbraw/zinc/05/99/85/243059985.db2.gz BXUCNZXNOZLMBN-UWWQBHOKSA-N 0 3 318.417 2.045 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000451499024 243035328 /nfs/dbraw/zinc/03/53/28/243035328.db2.gz YERLPKLQONZSSG-UAGQMJEPSA-N 0 3 311.385 2.044 20 30 DEEDHN CC(C)O[C@@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(C)C ZINC000451509284 243045915 /nfs/dbraw/zinc/04/59/15/243045915.db2.gz XBRIESIFUFQJMI-CPUCHLNUSA-N 0 3 309.454 2.223 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2cccc(C)c2)CC1 ZINC000264413822 203909387 /nfs/dbraw/zinc/90/93/87/203909387.db2.gz PHWPDPPYXVSARX-UHFFFAOYSA-N 0 3 301.434 2.487 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C/c1ccnn1C)C(C)C ZINC000264844154 204203764 /nfs/dbraw/zinc/20/37/64/204203764.db2.gz BCNAWWBLWXMMES-KBOKABMXSA-N 0 3 316.449 2.248 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](COC)C1)C(C)C ZINC000265966723 205005068 /nfs/dbraw/zinc/00/50/68/205005068.db2.gz SMQYNKHRFOUTAY-IRXDYDNUSA-N 0 3 323.481 2.363 20 30 DEEDHN Cn1cc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C#N ZINC000282893135 217307045 /nfs/dbraw/zinc/30/70/45/217307045.db2.gz DSTOQMNBODGTJI-INIZCTEOSA-N 0 3 323.400 2.293 20 30 DEEDHN CC#CCCCC(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000680998286 542080684 /nfs/dbraw/zinc/08/06/84/542080684.db2.gz VEPSZAHJWXPDLW-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN CN(C)[C@]1(CNC(=O)Nc2ccc(F)cc2C#N)CCSC1 ZINC000267971292 206368796 /nfs/dbraw/zinc/36/87/96/206368796.db2.gz NDYRDTOYECRGEA-HNNXBMFYSA-N 0 3 322.409 2.256 20 30 DEEDHN Cc1cc(NC(=O)CSCC#N)ccc1OCCN(C)C ZINC000458192365 248195299 /nfs/dbraw/zinc/19/52/99/248195299.db2.gz HPSTWIQRRRFTPG-UHFFFAOYSA-N 0 3 307.419 2.131 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN([C@@H](C)CC)CC2)CC1 ZINC000458318312 248260650 /nfs/dbraw/zinc/26/06/50/248260650.db2.gz JFQRJYSDBPDVSM-INIZCTEOSA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000458334773 248265896 /nfs/dbraw/zinc/26/58/96/248265896.db2.gz NDKWISLILGJVCV-HZPDHXFCSA-N 0 3 321.465 2.236 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2C[C@H](O)[C@H](CO)C2)cc1 ZINC000459678690 248660855 /nfs/dbraw/zinc/66/08/55/248660855.db2.gz BJWLZOYAZTWWDT-HKUYNNGSSA-N 0 3 308.381 2.010 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCCC(=O)N(CC)CC)CC1 ZINC000106290885 194193687 /nfs/dbraw/zinc/19/36/87/194193687.db2.gz ZMHNRCZLCCMCQX-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNC(=O)CN(C)C(C)C)CCCC1 ZINC001354471795 1151897015 /nfs/dbraw/zinc/89/70/15/1151897015.db2.gz QLGACSFWROFKSP-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1cc(CN2CCC(CN3CCOCC3)CC2)ccc1F ZINC000119856743 195049513 /nfs/dbraw/zinc/04/95/13/195049513.db2.gz CSRGZZXOVIHUNT-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN CO[C@@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CCOC1 ZINC000329654923 533033257 /nfs/dbraw/zinc/03/32/57/533033257.db2.gz LWSDNHIQQDREFN-GOSISDBHSA-N 0 3 318.417 2.393 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C\c2nc3ccccc3o2)CC1 ZINC000493348680 533046679 /nfs/dbraw/zinc/04/66/79/533046679.db2.gz GNFLAZDKUNXYBL-HJWRWDBZSA-N 0 3 323.396 2.445 20 30 DEEDHN C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)C(C)(C)C[NH+](C)C ZINC000330390933 533104175 /nfs/dbraw/zinc/10/41/75/533104175.db2.gz ZLRFTNLCLHETEC-SECBINFHSA-N 0 3 307.373 2.378 20 30 DEEDHN C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)C(C)(C)C[NH+](C)C ZINC000330390933 533104178 /nfs/dbraw/zinc/10/41/78/533104178.db2.gz ZLRFTNLCLHETEC-SECBINFHSA-N 0 3 307.373 2.378 20 30 DEEDHN COC[C@@H]1CCCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000342746222 285260793 /nfs/dbraw/zinc/26/07/93/285260793.db2.gz FGQHZWWRVAKPKZ-INMHGKMJSA-N 0 3 309.454 2.178 20 30 DEEDHN N#Cc1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccc1F ZINC000120792702 195238919 /nfs/dbraw/zinc/23/89/19/195238919.db2.gz DAGISHFRIUSNEW-MRXNPFEDSA-N 0 3 317.408 2.242 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121043381 195285719 /nfs/dbraw/zinc/28/57/19/195285719.db2.gz GFJXHTPRAVFASG-GJZGRUSLSA-N 0 3 307.438 2.076 20 30 DEEDHN CCC[C@@H]1CN(Cc2ccccc2C#N)CCN1CCOC ZINC000121836342 195358060 /nfs/dbraw/zinc/35/80/60/195358060.db2.gz BOULFIYAJPBKDS-GOSISDBHSA-N 0 3 301.434 2.491 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1N(C)C ZINC000544619318 285364605 /nfs/dbraw/zinc/36/46/05/285364605.db2.gz GVSTXAJCEFRNLP-UONOGXRCSA-N 0 3 323.849 2.329 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(-n2cccn2)c1 ZINC000424131355 533246164 /nfs/dbraw/zinc/24/61/64/533246164.db2.gz UWYQWVITGUYMSD-CJNGLKHVSA-N 0 3 311.389 2.071 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](OC)C[C@H]1C ZINC000441386903 533503264 /nfs/dbraw/zinc/50/32/64/533503264.db2.gz XJJZDMZWTVCFMT-UKRRQHHQSA-N 0 3 304.390 2.445 20 30 DEEDHN COc1ccc(CNC[C@H](O)C(C)C)cc1OCCCC#N ZINC000237243421 533670445 /nfs/dbraw/zinc/67/04/45/533670445.db2.gz XQWPVNLVMNVNQH-HNNXBMFYSA-N 0 3 306.406 2.484 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000684796227 542666164 /nfs/dbraw/zinc/66/61/64/542666164.db2.gz PCBBMLPTHCNDPY-OIISXLGYSA-N 0 3 321.465 2.284 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000685608139 542743266 /nfs/dbraw/zinc/74/32/66/542743266.db2.gz NEQJBTPFZTVNKF-LJQANCHMSA-N 0 3 316.445 2.356 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000685763099 542753298 /nfs/dbraw/zinc/75/32/98/542753298.db2.gz HSMRLJBLPBLPDF-SJLPKXTDSA-N 0 3 302.418 2.046 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000685769525 542753721 /nfs/dbraw/zinc/75/37/21/542753721.db2.gz CHPMSNFLNMXQPT-VQIMIIECSA-N 0 3 316.445 2.437 20 30 DEEDHN Cn1cc(CNCCc2ccn(-c3ccccc3)n2)cc1C#N ZINC000359732546 133141677 /nfs/dbraw/zinc/14/16/77/133141677.db2.gz QZGXPYUYYJPPSI-UHFFFAOYSA-N 0 3 305.385 2.415 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000376533359 133299129 /nfs/dbraw/zinc/29/91/29/133299129.db2.gz QUKLVCCFHNEPEM-OAHLLOKOSA-N 0 3 301.365 2.142 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000376557615 133300656 /nfs/dbraw/zinc/30/06/56/133300656.db2.gz KJJKRJAPHURTIN-QZTJIDSGSA-N 0 3 309.369 2.140 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1F ZINC000563803688 292073733 /nfs/dbraw/zinc/07/37/33/292073733.db2.gz PEQUUXRYFZRCOV-NVXWUHKLSA-N 0 3 318.392 2.355 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000329879837 404481075 /nfs/dbraw/zinc/48/10/75/404481075.db2.gz MUJCGJQENSMHQR-OWCLPIDISA-N 0 3 320.437 2.329 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000564868889 292116623 /nfs/dbraw/zinc/11/66/23/292116623.db2.gz KCPUNEZKBAUNKK-ZUEVXXBESA-N 0 3 324.380 2.410 20 30 DEEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C)o1)C(C)C ZINC000297175305 404483969 /nfs/dbraw/zinc/48/39/69/404483969.db2.gz AHTJLSKREQIZRZ-MRXNPFEDSA-N 0 3 305.422 2.319 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193860546 145090719 /nfs/dbraw/zinc/09/07/19/145090719.db2.gz GLWXCZBNWBTZRN-OAHLLOKOSA-N 0 3 323.400 2.490 20 30 DEEDHN N#Cc1csc(CNCCn2cc(Br)cn2)c1 ZINC000336704467 145396877 /nfs/dbraw/zinc/39/68/77/145396877.db2.gz KQKJGTLJVGSNMF-UHFFFAOYSA-N 0 3 311.208 2.369 20 30 DEEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CN(C)C)c1C#N ZINC000346129496 146020172 /nfs/dbraw/zinc/02/01/72/146020172.db2.gz FTGWVPRFXKRGLD-SNVBAGLBSA-N 0 3 318.446 2.232 20 30 DEEDHN CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000329901675 404487494 /nfs/dbraw/zinc/48/74/94/404487494.db2.gz OUMDDZOEUVCRQK-GOEBONIOSA-N 0 3 307.438 2.218 20 30 DEEDHN N#Cc1cnc(C(=O)NC[C@@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000565650986 292175094 /nfs/dbraw/zinc/17/50/94/292175094.db2.gz XKASICNXPDIYQG-ZDUSSCGKSA-N 0 3 318.808 2.353 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1 ZINC000371331563 148089050 /nfs/dbraw/zinc/08/90/50/148089050.db2.gz IYKNASJFAKVXMV-OAHLLOKOSA-N 0 3 318.490 2.220 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000127612328 401742515 /nfs/dbraw/zinc/74/25/15/401742515.db2.gz MFXBTIGURBVNGM-QGZVFWFLSA-N 0 3 319.449 2.051 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000085390308 401914833 /nfs/dbraw/zinc/91/48/33/401914833.db2.gz KODPIEWNIXSFSE-CJNGLKHVSA-N 0 3 300.406 2.040 20 30 DEEDHN CN(C(=O)CSCc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000044821068 401948069 /nfs/dbraw/zinc/94/80/69/401948069.db2.gz PYAQQBXQNPBCFZ-UHFFFAOYSA-N 0 3 317.458 2.344 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(CC(=O)NC)CC1 ZINC000093588325 402016144 /nfs/dbraw/zinc/01/61/44/402016144.db2.gz GNCJPRFKOLAQRQ-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C(=O)NCCC)C1 ZINC000050996007 402031371 /nfs/dbraw/zinc/03/13/71/402031371.db2.gz YLIVXEJGZIXNAG-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN CCC[C@H]1CN(Cc2ccccc2C#N)CCN1CCOC ZINC000121836514 402054248 /nfs/dbraw/zinc/05/42/48/402054248.db2.gz BOULFIYAJPBKDS-SFHVURJKSA-N 0 3 301.434 2.491 20 30 DEEDHN C=CCCCCCN(C)CC(=O)NC(=O)NCC(F)(F)F ZINC000150875290 402002092 /nfs/dbraw/zinc/00/20/92/402002092.db2.gz LQQSSBIHPNDQEB-UHFFFAOYSA-N 0 3 309.332 2.053 20 30 DEEDHN COc1ccc(CN2CCC[C@H]2CO)cc1OCCCC#N ZINC000092455984 402004525 /nfs/dbraw/zinc/00/45/25/402004525.db2.gz OBKUZGPWPBPGBF-HNNXBMFYSA-N 0 3 304.390 2.334 20 30 DEEDHN Cc1cccc([C@H]2CCCN2CCC(=O)N(C)CCC#N)n1 ZINC000092801846 402009092 /nfs/dbraw/zinc/00/90/92/402009092.db2.gz JOBIHOIPKHTQEY-MRXNPFEDSA-N 0 3 300.406 2.289 20 30 DEEDHN C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000068353219 402194892 /nfs/dbraw/zinc/19/48/92/402194892.db2.gz HKYWKUSQZVPRDZ-GJZGRUSLSA-N 0 3 314.433 2.207 20 30 DEEDHN C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCCC[C@@H]1C ZINC000068359164 402195691 /nfs/dbraw/zinc/19/56/91/402195691.db2.gz TZHNVNPLZXQIEY-GJZGRUSLSA-N 0 3 314.433 2.349 20 30 DEEDHN N#C[C@@]1(NC(=O)c2cccc(CN3CCCC3)c2)CCSC1 ZINC000068427345 402197687 /nfs/dbraw/zinc/19/76/87/402197687.db2.gz KKZBTLTZQMPCFI-KRWDZBQOSA-N 0 3 315.442 2.411 20 30 DEEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)C(=O)NC(C)(C)C ZINC000067502631 402161462 /nfs/dbraw/zinc/16/14/62/402161462.db2.gz LQCDFYQRHUBDMR-AWEZNQCLSA-N 0 3 316.449 2.429 20 30 DEEDHN C#CCN1CCC(C(=O)NCCOc2c(C)cccc2C)CC1 ZINC000108707407 402259910 /nfs/dbraw/zinc/25/99/10/402259910.db2.gz QYUNGIOVXUBEAK-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185785441 402377216 /nfs/dbraw/zinc/37/72/16/402377216.db2.gz OBBQVFWDSWDOIV-GDBMZVCRSA-N 0 3 315.417 2.326 20 30 DEEDHN CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000186464628 402433497 /nfs/dbraw/zinc/43/34/97/402433497.db2.gz FUAIFLGUJHLGKN-HIFRSBDPSA-N 0 3 317.389 2.470 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186485101 402434951 /nfs/dbraw/zinc/43/49/51/402434951.db2.gz VRKZVHFAGNBVLQ-ROUUACIJSA-N 0 3 308.381 2.153 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@H](OCC)C2CCCC2)CC1 ZINC000177356391 402394311 /nfs/dbraw/zinc/39/43/11/402394311.db2.gz QZWIQFGBRVXTFI-SFHVURJKSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000178429415 402497745 /nfs/dbraw/zinc/49/77/45/402497745.db2.gz KJSDAYFABMYKPJ-UHFFFAOYSA-N 0 3 323.418 2.307 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)CN2CCCC2=O)cc1 ZINC000178492820 402504488 /nfs/dbraw/zinc/50/44/88/402504488.db2.gz FZUORYWJTQGTAH-CABCVRRESA-N 0 3 300.402 2.360 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCO1 ZINC000178527494 402507952 /nfs/dbraw/zinc/50/79/52/402507952.db2.gz GSRNFQRRQABQNI-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H](OCCO)C1 ZINC000178535885 402509014 /nfs/dbraw/zinc/50/90/14/402509014.db2.gz VYMRGWGKTRNFEN-INIZCTEOSA-N 0 3 302.418 2.461 20 30 DEEDHN C=CCN1CCC(NC(=O)CSc2ccc(O)cc2)CC1 ZINC000178537733 402509375 /nfs/dbraw/zinc/50/93/75/402509375.db2.gz SIPNASAUYDJJKC-UHFFFAOYSA-N 0 3 306.431 2.251 20 30 DEEDHN C[C@H]1CN(CC(C)(C)O)CCN1CC#Cc1cccc(Cl)c1 ZINC000189436170 402536791 /nfs/dbraw/zinc/53/67/91/402536791.db2.gz UEXCLSXHJWFEKV-HNNXBMFYSA-N 0 3 320.864 2.469 20 30 DEEDHN CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1C[C@H](C)O ZINC000248539297 402594841 /nfs/dbraw/zinc/59/48/41/402594841.db2.gz AOPINTJQABVMHP-GUYCJALGSA-N 0 3 321.852 2.489 20 30 DEEDHN C[C@H](NCCCC#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179658231 402597099 /nfs/dbraw/zinc/59/70/99/402597099.db2.gz GDSMKACMLGPRDI-ZDUSSCGKSA-N 0 3 301.390 2.298 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CC1 ZINC000180844764 402627473 /nfs/dbraw/zinc/62/74/73/402627473.db2.gz KJZLFJKYUYRKLY-ZWKOTPCHSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1(O)CCCC1)C(C)C ZINC000171628355 402603386 /nfs/dbraw/zinc/60/33/86/402603386.db2.gz UNWPWAPIXRTDOZ-INIZCTEOSA-N 0 3 323.481 2.289 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000171640781 402605058 /nfs/dbraw/zinc/60/50/58/402605058.db2.gz LDIAXPGBCYLQIM-UHFFFAOYSA-N 0 3 302.353 2.469 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000171679992 402609000 /nfs/dbraw/zinc/60/90/00/402609000.db2.gz MDVJJSBTJSAKGI-UHFFFAOYSA-N 0 3 317.389 2.245 20 30 DEEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1F ZINC000180898846 402630140 /nfs/dbraw/zinc/63/01/40/402630140.db2.gz QSZKZTZKDKSYGR-HYEKCJMVSA-N 0 3 317.364 2.393 20 30 DEEDHN CCN1CCN(c2ccc(N[C@@H](C#N)COC)c(C)c2)CC1 ZINC000181326485 402641867 /nfs/dbraw/zinc/64/18/67/402641867.db2.gz RSWPOWZTQHDXOM-HNNXBMFYSA-N 0 3 302.422 2.087 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039251 402707263 /nfs/dbraw/zinc/70/72/63/402707263.db2.gz BWMUXAFSGSCCJQ-BYCMXARLSA-N 0 3 308.809 2.450 20 30 DEEDHN Cc1nsc(N2CCCN(CCCSCC#N)CC2)n1 ZINC000173901986 402717956 /nfs/dbraw/zinc/71/79/56/402717956.db2.gz YPRXAUGOEZJNPR-UHFFFAOYSA-N 0 3 311.480 2.006 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255036517 402676470 /nfs/dbraw/zinc/67/64/70/402676470.db2.gz BAQBXTREIGWNLU-BSDKJSHOSA-N 0 3 313.401 2.203 20 30 DEEDHN CN(C[C@H]1CCOC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182828277 402719805 /nfs/dbraw/zinc/71/98/05/402719805.db2.gz LWAULSDJPUOOLV-NVXWUHKLSA-N 0 3 313.401 2.022 20 30 DEEDHN CCCN1CCC[C@H]1CNc1ccc(C(=O)OC)nc1C#N ZINC000566482653 292246370 /nfs/dbraw/zinc/24/63/70/292246370.db2.gz PKNGIMZXHNMXFT-LBPRGKRZSA-N 0 3 302.378 2.026 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN[C@H](CO)c2ccccc2)cc1 ZINC000182905942 402725756 /nfs/dbraw/zinc/72/57/56/402725756.db2.gz GCMFBWXMZZKMTI-QGZVFWFLSA-N 0 3 309.369 2.210 20 30 DEEDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 ZINC000183210759 402747247 /nfs/dbraw/zinc/74/72/47/402747247.db2.gz VFTPFIGLHOMXMS-HOTGVXAUSA-N 0 3 322.430 2.034 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 ZINC000183210743 402747289 /nfs/dbraw/zinc/74/72/89/402747289.db2.gz VFTPFIGLHOMXMS-JKSUJKDBSA-N 0 3 322.430 2.034 20 30 DEEDHN COc1cc(OC(=O)C2CCN(C3CC3)CC2)ccc1C#N ZINC000192910978 402756374 /nfs/dbraw/zinc/75/63/74/402756374.db2.gz VNYKORNTCFACQC-UHFFFAOYSA-N 0 3 300.358 2.347 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000174776494 402757029 /nfs/dbraw/zinc/75/70/29/402757029.db2.gz SSXFDZUEGXNHBJ-HOTGVXAUSA-N 0 3 321.465 2.284 20 30 DEEDHN COc1ccc(C)cc1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000271660276 402882093 /nfs/dbraw/zinc/88/20/93/402882093.db2.gz KVKBRNQKADZSCR-AWEZNQCLSA-N 0 3 303.406 2.416 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000264475722 402882266 /nfs/dbraw/zinc/88/22/66/402882266.db2.gz KADDBMHZJVVNCG-UHFFFAOYSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000264488435 402883690 /nfs/dbraw/zinc/88/36/90/402883690.db2.gz NMLPPTYDNPMYNM-CQSZACIVSA-N 0 3 313.401 2.092 20 30 DEEDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000271938469 402885801 /nfs/dbraw/zinc/88/58/01/402885801.db2.gz NVXMGKUWCIYLQM-LLVKDONJSA-N 0 3 301.321 2.371 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H]2CCC[C@H]2CCO)c(C#N)c1C ZINC000279398174 402938356 /nfs/dbraw/zinc/93/83/56/402938356.db2.gz ZKMKVVXCOITGRA-JSGCOSHPSA-N 0 3 321.446 2.316 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC#Cc2ccccc2)C1 ZINC000272516944 402947574 /nfs/dbraw/zinc/94/75/74/402947574.db2.gz YONWSXDBLJBWOK-ZWKOTPCHSA-N 0 3 311.429 2.164 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000265773142 402948143 /nfs/dbraw/zinc/94/81/43/402948143.db2.gz MRCSGXPORFRSIA-OAHLLOKOSA-N 0 3 323.462 2.121 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1OC ZINC000272532452 402949655 /nfs/dbraw/zinc/94/96/55/402949655.db2.gz INRYBKPZJAHGFT-QWHCGFSZSA-N 0 3 304.390 2.082 20 30 DEEDHN C[C@H](O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272533275 402949792 /nfs/dbraw/zinc/94/97/92/402949792.db2.gz NKFCVMGSRSDURL-XJKSGUPXSA-N 0 3 310.401 2.161 20 30 DEEDHN CCOC(=O)CCN(CCCSCC#N)Cc1cccnc1 ZINC000272763576 402960070 /nfs/dbraw/zinc/96/00/70/402960070.db2.gz QVYRXYCJDMDONE-UHFFFAOYSA-N 0 3 321.446 2.484 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000265915731 402962212 /nfs/dbraw/zinc/96/22/12/402962212.db2.gz AKELMAJFWAAQDQ-QGZVFWFLSA-N 0 3 312.413 2.399 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@H]2CCO)cc1Cl ZINC000279210454 402916903 /nfs/dbraw/zinc/91/69/03/402916903.db2.gz GWRRDYINVKLEIG-NHYWBVRUSA-N 0 3 321.808 2.291 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCCCC#N)CN1Cc1ccccc1 ZINC000273068259 402967833 /nfs/dbraw/zinc/96/78/33/402967833.db2.gz IXGFCRDWNBFXEY-GDBMZVCRSA-N 0 3 300.406 2.252 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)CN(C2CC2)C1=O)C(C)C ZINC000272354623 402927019 /nfs/dbraw/zinc/92/70/19/402927019.db2.gz YBOXMBBZEPUAAE-HNNXBMFYSA-N 0 3 305.422 2.112 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccc(C#N)cc1 ZINC000266772848 402989977 /nfs/dbraw/zinc/98/99/77/402989977.db2.gz QNZBWIVMWMYROX-XKQJLSEDSA-N 0 3 312.417 2.497 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000273383632 402999976 /nfs/dbraw/zinc/99/99/76/402999976.db2.gz IVIDMGPAIZLMMT-CQSZACIVSA-N 0 3 314.433 2.430 20 30 DEEDHN N#Cc1cc(F)c(N2CCC(CN3CCOCC3)CC2)c(F)c1 ZINC000267164188 403021107 /nfs/dbraw/zinc/02/11/07/403021107.db2.gz AQKZRVIZAKTHHX-UHFFFAOYSA-N 0 3 321.371 2.385 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCC#N ZINC000273639474 403022302 /nfs/dbraw/zinc/02/23/02/403022302.db2.gz XWYOJIQXYSLVKM-DOTOQJQBSA-N 0 3 314.433 2.500 20 30 DEEDHN CN(C)CCOc1ccccc1-c1noc(CSCC#N)n1 ZINC000273867556 403028382 /nfs/dbraw/zinc/02/83/82/403028382.db2.gz MQSCWANOBZWJSA-UHFFFAOYSA-N 0 3 318.402 2.434 20 30 DEEDHN CC[C@@H](CSC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280263504 402981322 /nfs/dbraw/zinc/98/13/22/402981322.db2.gz XUWNTKDCTMYUPI-CABCVRRESA-N 0 3 301.415 2.498 20 30 DEEDHN COc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1OCCO ZINC000274180845 403032864 /nfs/dbraw/zinc/03/28/64/403032864.db2.gz FKLVCSKUJNRXTI-ZFWWWQNUSA-N 0 3 304.390 2.238 20 30 DEEDHN CC[C@@H]1C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000280856485 403043860 /nfs/dbraw/zinc/04/38/60/403043860.db2.gz XBKQEBLCTLVRKV-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000268135296 403052981 /nfs/dbraw/zinc/05/29/81/403052981.db2.gz PKOOQPSFGUMFRC-GDZNZVCISA-N 0 3 312.417 2.401 20 30 DEEDHN C=CCN1CC[C@H](N2CCC[C@H]2Cn2cnc3ccccc32)C1=O ZINC000281142139 403059304 /nfs/dbraw/zinc/05/93/04/403059304.db2.gz ATFDESSYJDAGPL-YJBOKZPZSA-N 0 3 324.428 2.288 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000268229893 403063979 /nfs/dbraw/zinc/06/39/79/403063979.db2.gz NETWVPNIUQJBMI-XPTSAGLGSA-N 0 3 305.328 2.049 20 30 DEEDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(OCC#N)cc1 ZINC000281318380 403064213 /nfs/dbraw/zinc/06/42/13/403064213.db2.gz ZQYVNMMHCNCMLZ-ZDUSSCGKSA-N 0 3 322.430 2.207 20 30 DEEDHN C=C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000274679292 403077977 /nfs/dbraw/zinc/07/79/77/403077977.db2.gz WJPPSXAWCPWGEY-KRWDZBQOSA-N 0 3 301.434 2.058 20 30 DEEDHN C=CCN1CC[C@H](N(C)CCCc2ccc(OC)cc2)C1=O ZINC000282011728 403113468 /nfs/dbraw/zinc/11/34/68/403113468.db2.gz OOLFMABRJOVQNH-KRWDZBQOSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](CC)c1ccccc1OC(F)F ZINC000268824992 403117875 /nfs/dbraw/zinc/11/78/75/403117875.db2.gz QREAHLMFXHSCNE-ZDUSSCGKSA-N 0 3 310.344 2.468 20 30 DEEDHN C[C@H]1CN(CCCNC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000277297603 403202546 /nfs/dbraw/zinc/20/25/46/403202546.db2.gz UZKAXTCZLCSCLT-AWEZNQCLSA-N 0 3 316.405 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LVSXXEHSRJFVLT-ZIAGYGMSSA-N 0 3 300.406 2.355 20 30 DEEDHN O=C(CN1Cc2ccccc2C1=O)NCCN1CCCCCC1 ZINC000329196054 404261271 /nfs/dbraw/zinc/26/12/71/404261271.db2.gz VRUBPISYDRKDBU-UHFFFAOYSA-N 0 3 315.417 2.475 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COc3ccccc32)CCN1C ZINC000329259069 404281305 /nfs/dbraw/zinc/28/13/05/404281305.db2.gz AKLTWQGJZJBOLT-MGPQQGTHSA-N 0 3 303.406 2.149 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc3c2CNC3=O)CCN1C ZINC000329458166 404341826 /nfs/dbraw/zinc/34/18/26/404341826.db2.gz QZPSLXUHXXFLLR-GHMZBOCLSA-N 0 3 302.378 2.313 20 30 DEEDHN CCc1cnc(CCNC(=O)N[C@H](C)C2=CCN(C)CC2)s1 ZINC000329299860 404294528 /nfs/dbraw/zinc/29/45/28/404294528.db2.gz MFSPNRORQKZRTN-GFCCVEGCSA-N 0 3 322.478 2.402 20 30 DEEDHN O=C(NCCC1(O)CCOCC1)[C@H]1CCCN1C1CCCC1 ZINC000329339611 404307763 /nfs/dbraw/zinc/30/77/63/404307763.db2.gz ZDGWDTWUAMKXRR-OAHLLOKOSA-N 0 3 310.438 2.282 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@@H](c1ccccc1)C(C)(C)CO ZINC000352350985 404309332 /nfs/dbraw/zinc/30/93/32/404309332.db2.gz VMCPUKNVWAEKNM-KRWDZBQOSA-N 0 3 317.433 2.098 20 30 DEEDHN CCc1nnc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)s1 ZINC000329538369 404370186 /nfs/dbraw/zinc/37/01/86/404370186.db2.gz BXUJIAKWTAOPOB-GFCCVEGCSA-N 0 3 323.466 2.075 20 30 DEEDHN CN1CCC(CC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000291445968 404386221 /nfs/dbraw/zinc/38/62/21/404386221.db2.gz GOWJNKDIPQXENL-UHFFFAOYSA-N 0 3 316.405 2.435 20 30 DEEDHN C=CCCC1(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000356093308 404392234 /nfs/dbraw/zinc/39/22/34/404392234.db2.gz KJGQHWIMADDHQA-INIZCTEOSA-N 0 3 307.482 2.123 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C3CC3)C2)C1 ZINC000329621231 404396586 /nfs/dbraw/zinc/39/65/86/404396586.db2.gz FOHAIIJRVKOXPB-HZPDHXFCSA-N 0 3 307.438 2.076 20 30 DEEDHN Cc1cnn([C@@H]2CCN(C(=O)N[C@H](C)CN3CCCCC3)C2)c1 ZINC000329636279 404405207 /nfs/dbraw/zinc/40/52/07/404405207.db2.gz YBSVHTNYBXVDRF-HZPDHXFCSA-N 0 3 319.453 2.227 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000370831522 404407140 /nfs/dbraw/zinc/40/71/40/404407140.db2.gz VKZVXAMHLCQPHY-MRXNPFEDSA-N 0 3 320.396 2.026 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C1 ZINC000291515423 404409282 /nfs/dbraw/zinc/40/92/82/404409282.db2.gz QYOQPJLKWBCGTR-TZMCWYRMSA-N 0 3 318.808 2.163 20 30 DEEDHN CSCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)N(C)C ZINC000352495016 404411738 /nfs/dbraw/zinc/41/17/38/404411738.db2.gz HXJQBOURPFESFO-IUODEOHRSA-N 0 3 305.447 2.419 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000297206178 404499174 /nfs/dbraw/zinc/49/91/74/404499174.db2.gz DBCXINUALZCFKQ-GOSISDBHSA-N 0 3 313.445 2.140 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000414126749 404520306 /nfs/dbraw/zinc/52/03/06/404520306.db2.gz PCTQBRRBDAQRGD-MSOLQXFVSA-N 0 3 313.445 2.420 20 30 DEEDHN CC(C)[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329739530 404437838 /nfs/dbraw/zinc/43/78/38/404437838.db2.gz UXEAGKZYHHDILV-FZMZJTMJSA-N 0 3 308.451 2.254 20 30 DEEDHN CC(C)[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CCS1 ZINC000329739530 404437843 /nfs/dbraw/zinc/43/78/43/404437843.db2.gz UXEAGKZYHHDILV-FZMZJTMJSA-N 0 3 308.451 2.254 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](O)C[C@@H]1C)C(C)C ZINC000291638534 404458913 /nfs/dbraw/zinc/45/89/13/404458913.db2.gz MGHOLPFLNMKGPW-YESZJQIVSA-N 0 3 323.481 2.240 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000329824062 404463695 /nfs/dbraw/zinc/46/36/95/404463695.db2.gz ZVVMDQYXIQDQJW-RISCZKNCSA-N 0 3 317.389 2.076 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC[C@H]2CCCO2)CC1 ZINC000342445447 404581970 /nfs/dbraw/zinc/58/19/70/404581970.db2.gz XBBURWLUKXSQTF-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330234569 404596224 /nfs/dbraw/zinc/59/62/24/404596224.db2.gz YKHXCJXYMPAGLO-CABCVRRESA-N 0 3 309.454 2.466 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc(-c3ccccc3)nn2)CCN1C ZINC000330030976 404533136 /nfs/dbraw/zinc/53/31/36/404533136.db2.gz SJPJPNVGDUDKTB-HIFRSBDPSA-N 0 3 313.405 2.384 20 30 DEEDHN CC(C#N)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000352678018 404541050 /nfs/dbraw/zinc/54/10/50/404541050.db2.gz NRSZGLMFVOLPQQ-VIFPVBQESA-N 0 3 300.284 2.225 20 30 DEEDHN N#Cc1ccc(CN2CCCN([C@H]3CCCNC3=O)CC2)cc1 ZINC000330126870 404560061 /nfs/dbraw/zinc/56/00/61/404560061.db2.gz MOYHUEZCYZIUSH-KRWDZBQOSA-N 0 3 312.417 2.185 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CCC1 ZINC000365158834 404563429 /nfs/dbraw/zinc/56/34/29/404563429.db2.gz CYUDSGKTFAKJAR-IAGOWNOFSA-N 0 3 319.493 2.217 20 30 DEEDHN CC(C)(C)[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CCO1 ZINC000330178672 404574621 /nfs/dbraw/zinc/57/46/21/404574621.db2.gz DWUPNZVPLNRXEW-MCIONIFRSA-N 0 3 320.437 2.295 20 30 DEEDHN C=CCCC1(C(=O)NCc2ccncc2OCCN(C)C)CC1 ZINC000345273336 404650939 /nfs/dbraw/zinc/65/09/39/404650939.db2.gz BUEMOJWFDLWXGD-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000356576971 404602951 /nfs/dbraw/zinc/60/29/51/404602951.db2.gz JTFNNMUKNLUDPC-QGZVFWFLSA-N 0 3 309.498 2.465 20 30 DEEDHN C[C@H](CCO)C1(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)CCC1 ZINC000330300381 404620030 /nfs/dbraw/zinc/62/00/30/404620030.db2.gz NDKSCYXBGJZMFH-NVXWUHKLSA-N 0 3 323.481 2.117 20 30 DEEDHN CCOC1(C)CCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000330345187 404632588 /nfs/dbraw/zinc/63/25/88/404632588.db2.gz DWBNWLRYKHTTHM-AWEZNQCLSA-N 0 3 320.437 2.251 20 30 DEEDHN CCCN(CCN1CCCC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000352880412 404678776 /nfs/dbraw/zinc/67/87/76/404678776.db2.gz CARRZGJZAIKYKF-UHFFFAOYSA-N 0 3 314.433 2.305 20 30 DEEDHN COc1cc(CN(C)C(C)(C)CN2CCOCC2)ccc1C#N ZINC000414572355 404685296 /nfs/dbraw/zinc/68/52/96/404685296.db2.gz WQOWQKKRFVZBBG-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000330558719 404688466 /nfs/dbraw/zinc/68/84/66/404688466.db2.gz ICTNHMMFKRPYCQ-CHWSQXEVSA-N 0 3 320.462 2.363 20 30 DEEDHN CCOC[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356788695 404692129 /nfs/dbraw/zinc/69/21/29/404692129.db2.gz QOUSYEOKMATRSD-CZUORRHYSA-N 0 3 301.390 2.068 20 30 DEEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000357804670 404744193 /nfs/dbraw/zinc/74/41/93/404744193.db2.gz MBWRRROWLFHAQE-SNVBAGLBSA-N 0 3 320.780 2.072 20 30 DEEDHN C=CCN(C(=O)NC1CCN(CCOC(C)C)CC1)C1CC1 ZINC000357873403 404746616 /nfs/dbraw/zinc/74/66/16/404746616.db2.gz RCTZFENMQKXKEO-UHFFFAOYSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCC1(SC)CCN(C)CC1)OCC ZINC000358174689 404756073 /nfs/dbraw/zinc/75/60/73/404756073.db2.gz YNVVGUYUNBSCBM-AWEZNQCLSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCc1cc(CNC(=O)CN(C)CCC)cc(OC)c1OC ZINC000358599537 404768480 /nfs/dbraw/zinc/76/84/80/404768480.db2.gz WCTSPEQDDNHTKG-UHFFFAOYSA-N 0 3 320.433 2.390 20 30 DEEDHN CC[C@@H](COC)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000356854246 404708693 /nfs/dbraw/zinc/70/86/93/404708693.db2.gz UFVZMVKZFKXAFO-HOCLYGCPSA-N 0 3 301.390 2.068 20 30 DEEDHN C=CCOc1ccc(CNC[C@@]2(OC)CCOC2)cc1OC ZINC000359624957 404799136 /nfs/dbraw/zinc/79/91/36/404799136.db2.gz OOKNUIMMEUYLAP-KRWDZBQOSA-N 0 3 307.390 2.155 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000360780828 404837441 /nfs/dbraw/zinc/83/74/41/404837441.db2.gz JACAVBZKCRPRJR-OAHLLOKOSA-N 0 3 304.438 2.121 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)c3cccc(SCC#N)c3)C2)C1 ZINC000366560094 404814942 /nfs/dbraw/zinc/81/49/42/404814942.db2.gz OSRJVYBSUQHVQA-KRWDZBQOSA-N 0 3 315.442 2.470 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360613698 404832446 /nfs/dbraw/zinc/83/24/46/404832446.db2.gz POCQEGAZEYLEET-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000353451377 404834150 /nfs/dbraw/zinc/83/41/50/404834150.db2.gz WTZMSAHRQZUMEV-JFIYKMOQSA-N 0 3 307.482 2.073 20 30 DEEDHN N#Cc1cc2c(nc1NC[C@@H]1CN3CCC[C@H]3CO1)CCCC2 ZINC000377167887 404834176 /nfs/dbraw/zinc/83/41/76/404834176.db2.gz GMWUMTICMNOHDV-JKSUJKDBSA-N 0 3 312.417 2.107 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1c(F)cccc1C#N ZINC000353652233 404903058 /nfs/dbraw/zinc/90/30/58/404903058.db2.gz ISODHZBRUVTFEI-CQSZACIVSA-N 0 3 303.381 2.183 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000353492538 404845982 /nfs/dbraw/zinc/84/59/82/404845982.db2.gz LXFVTWUKEMHJJN-IBGZPJMESA-N 0 3 321.509 2.465 20 30 DEEDHN Cn1cc(CN2CCC(CO)(c3ccccc3)CC2)cc1C#N ZINC000353749417 404955683 /nfs/dbraw/zinc/95/56/83/404955683.db2.gz SSPBIBHQKOZHDZ-UHFFFAOYSA-N 0 3 309.413 2.423 20 30 DEEDHN Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424103494 405007600 /nfs/dbraw/zinc/00/76/00/405007600.db2.gz QSYORFWYQPOGOG-GJZGRUSLSA-N 0 3 303.406 2.208 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1OC(F)F ZINC000424104323 405007715 /nfs/dbraw/zinc/00/77/15/405007715.db2.gz UIUPXQRVKKARFF-CMPLNLGQSA-N 0 3 311.332 2.486 20 30 DEEDHN COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424115005 405011691 /nfs/dbraw/zinc/01/16/91/405011691.db2.gz SWBIQSJHMJSYQO-GJZGRUSLSA-N 0 3 301.390 2.380 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000424127704 405015095 /nfs/dbraw/zinc/01/50/95/405015095.db2.gz VROARYVIGDCKFX-MRXNPFEDSA-N 0 3 307.438 2.205 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000424137706 405018014 /nfs/dbraw/zinc/01/80/14/405018014.db2.gz PDCASOPHSVSXQB-AWEZNQCLSA-N 0 3 320.824 2.010 20 30 DEEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCN1CCCOCC1 ZINC000361318148 405020470 /nfs/dbraw/zinc/02/04/70/405020470.db2.gz IAUIEXNAUNSCAE-OALUTQOASA-N 0 3 313.445 2.480 20 30 DEEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424148494 405022613 /nfs/dbraw/zinc/02/26/13/405022613.db2.gz FQYYTEUXQDUYDB-BBWFWOEESA-N 0 3 315.417 2.353 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000424163805 405027008 /nfs/dbraw/zinc/02/70/08/405027008.db2.gz ASGMZJAFDHPIQY-QWHCGFSZSA-N 0 3 313.323 2.470 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCC[C@H]1C(=O)OCC ZINC000451771552 405030798 /nfs/dbraw/zinc/03/07/98/405030798.db2.gz HGJYWXNBNXSWHI-KFWWJZLASA-N 0 3 310.438 2.121 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000424177958 405031227 /nfs/dbraw/zinc/03/12/27/405031227.db2.gz VPGSLJNNFAQJHU-JTQLQIEISA-N 0 3 315.295 2.429 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000424182020 405032114 /nfs/dbraw/zinc/03/21/14/405032114.db2.gz STRARLZZXXJJGF-OAHLLOKOSA-N 0 3 313.401 2.103 20 30 DEEDHN CC(C)OC[C@@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000451420697 404989380 /nfs/dbraw/zinc/98/93/80/404989380.db2.gz RBIRXUNAUCJLCU-DLBZAZTESA-N 0 3 318.417 2.003 20 30 DEEDHN COc1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424065459 404991719 /nfs/dbraw/zinc/99/17/19/404991719.db2.gz LSYKVDBSDVHLKD-HZPDHXFCSA-N 0 3 301.390 2.380 20 30 DEEDHN Cc1ccc(CSCCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424066908 404992694 /nfs/dbraw/zinc/99/26/94/404992694.db2.gz OJDQTVKTFJLZRG-OAHLLOKOSA-N 0 3 305.447 2.366 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1OC ZINC000354008655 404999405 /nfs/dbraw/zinc/99/94/05/404999405.db2.gz TXBFQOZYYGEUHZ-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN COc1ccc2ccccc2c1CNC(=O)[C@@H](N)CCCC#N ZINC000424082992 404999768 /nfs/dbraw/zinc/99/97/68/404999768.db2.gz MONJLHSMXBKSBS-INIZCTEOSA-N 0 3 311.385 2.486 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@]2(C)CCCO)CC1 ZINC000361420529 405067822 /nfs/dbraw/zinc/06/78/22/405067822.db2.gz BEHJASFMJXXPFU-GOSISDBHSA-N 0 3 323.481 2.364 20 30 DEEDHN C=CCCn1cc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)nn1 ZINC000424604515 405128254 /nfs/dbraw/zinc/12/82/54/405128254.db2.gz HFEZWUUCYREBFQ-AWEZNQCLSA-N 0 3 319.453 2.095 20 30 DEEDHN CCN1CCN(CC(C)(C)NCC#Cc2ccc(F)cc2)CC1 ZINC000451994929 405120289 /nfs/dbraw/zinc/12/02/89/405120289.db2.gz VWOYTSXFPYRZJP-UHFFFAOYSA-N 0 3 317.452 2.183 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN(CC)[C@H]1CCOC1 ZINC000361586166 405145881 /nfs/dbraw/zinc/14/58/81/405145881.db2.gz GRJYWOZNOIDRMV-DLBZAZTESA-N 0 3 305.418 2.266 20 30 DEEDHN C=C(C)COCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000354388132 405188970 /nfs/dbraw/zinc/18/89/70/405188970.db2.gz ARIWBMVYQLMJAV-KRWDZBQOSA-N 0 3 317.433 2.153 20 30 DEEDHN CN(Cc1ccc(C#N)cc1Cl)C1CCN(CCO)CC1 ZINC000439446364 405279617 /nfs/dbraw/zinc/27/96/17/405279617.db2.gz DMPDNKYOMZBYLJ-UHFFFAOYSA-N 0 3 307.825 2.100 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(CCOCC3CCC3)C2)nc1 ZINC000419279457 405233965 /nfs/dbraw/zinc/23/39/65/405233965.db2.gz ODQCUDMLXTVTFM-INIZCTEOSA-N 0 3 301.390 2.223 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000454454370 405347578 /nfs/dbraw/zinc/34/75/78/405347578.db2.gz AVXFRLHHQXKFII-MRXNPFEDSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCN1CC[C@@H](N2CC3(CCC3)[C@H]2C2CCOCC2)C1=O ZINC000425547492 405301218 /nfs/dbraw/zinc/30/12/18/405301218.db2.gz FSTOTDJKNVBOQX-HZPDHXFCSA-N 0 3 304.434 2.054 20 30 DEEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCCN1C ZINC000421003823 405426480 /nfs/dbraw/zinc/42/64/80/405426480.db2.gz NNUWEEFJNYTJAQ-OAHLLOKOSA-N 0 3 311.389 2.134 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](O)CC[C@H]1C ZINC000421019169 405431977 /nfs/dbraw/zinc/43/19/77/405431977.db2.gz NHUWLFFOKJPHJT-DJIMGWMZSA-N 0 3 305.418 2.000 20 30 DEEDHN CN(CCCNC(=O)C1CCC1)CCOc1ccccc1C#N ZINC000429536241 405434723 /nfs/dbraw/zinc/43/47/23/405434723.db2.gz NLVHRVHZVUGHIF-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000429715378 405444689 /nfs/dbraw/zinc/44/46/89/405444689.db2.gz ZSZCXDKZQUAQPX-USXIJHARSA-N 0 3 306.450 2.348 20 30 DEEDHN CCCCN(C)CCNC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455792341 405451124 /nfs/dbraw/zinc/45/11/24/405451124.db2.gz RCAYZYKBRYKPPU-UHFFFAOYSA-N 0 3 309.801 2.460 20 30 DEEDHN C[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C1=CCN(C)CC1 ZINC000455797228 405451862 /nfs/dbraw/zinc/45/18/62/405451862.db2.gz VNBOCWMSCAYYCI-JTQLQIEISA-N 0 3 319.796 2.379 20 30 DEEDHN C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(Cc2ccccc2)C1 ZINC000577735552 405502604 /nfs/dbraw/zinc/50/26/04/405502604.db2.gz KZAFUDVBZQEHQL-SFHVURJKSA-N 0 3 308.385 2.281 20 30 DEEDHN CC(C)OC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528382849 405584571 /nfs/dbraw/zinc/58/45/71/405584571.db2.gz UFZNTOYHVQLNCS-INIZCTEOSA-N 0 3 318.417 2.187 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000557232040 405588579 /nfs/dbraw/zinc/58/85/79/405588579.db2.gz RCXLWROFBKWOGH-BBWFWOEESA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N(CC)C2)ccc1OC ZINC000449517557 405593120 /nfs/dbraw/zinc/59/31/20/405593120.db2.gz KJJFAOVCABDHPB-OAHLLOKOSA-N 0 3 318.417 2.361 20 30 DEEDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494216034 405663306 /nfs/dbraw/zinc/66/33/06/405663306.db2.gz LYBKODDAEYNOLU-BONVTDFDSA-N 0 3 307.781 2.307 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000528727973 405724766 /nfs/dbraw/zinc/72/47/66/405724766.db2.gz XWMMIBKEHBMIBM-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN CC(C)[C@@H]1C[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000582416196 405725988 /nfs/dbraw/zinc/72/59/88/405725988.db2.gz ZTNPAQDEGLQTFW-HOCLYGCPSA-N 0 3 306.431 2.214 20 30 DEEDHN C=CCc1ccc(OCC(=O)NC(C)(C)CN(C)C)c(OC)c1 ZINC000457228054 405761274 /nfs/dbraw/zinc/76/12/74/405761274.db2.gz XHGRCYWJVVYWIB-UHFFFAOYSA-N 0 3 320.433 2.259 20 30 DEEDHN CC(C)(C#N)c1ccccc1CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528753435 405736960 /nfs/dbraw/zinc/73/69/60/405736960.db2.gz SKCACMVAIFNRJU-KDURUIRLSA-N 0 3 316.445 2.301 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2scc(C)c2C#N)C[C@@H]1N(C)C ZINC000568764992 292366253 /nfs/dbraw/zinc/36/62/53/292366253.db2.gz YUHDZIACWGOXSL-NWDGAFQWSA-N 0 3 324.475 2.438 20 30 DEEDHN C=CC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000433000093 405847826 /nfs/dbraw/zinc/84/78/26/405847826.db2.gz VHWPJYKBIQSEPC-UHFFFAOYSA-N 0 3 308.447 2.335 20 30 DEEDHN CN(C[C@@H]1CCCN1CCOCCC#N)C(=O)OC(C)(C)C ZINC000495792882 405934969 /nfs/dbraw/zinc/93/49/69/405934969.db2.gz HLUWCXFCFVHYCO-AWEZNQCLSA-N 0 3 311.426 2.248 20 30 DEEDHN CNC(=O)OC[C@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000495836527 405936069 /nfs/dbraw/zinc/93/60/69/405936069.db2.gz KKDNLPWZZYKMPF-MRXNPFEDSA-N 0 3 301.390 2.463 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000450537980 405946382 /nfs/dbraw/zinc/94/63/82/405946382.db2.gz FDWUCLSTZXWQGM-SCRDCRAPSA-N 0 3 315.377 2.028 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000423679093 405904618 /nfs/dbraw/zinc/90/46/18/405904618.db2.gz SYWBCNHFLPFBOL-INIZCTEOSA-N 0 3 323.396 2.263 20 30 DEEDHN CN(CCNC[C@H](O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000497048584 406013044 /nfs/dbraw/zinc/01/30/44/406013044.db2.gz VIWNHWARDUVUIJ-HNNXBMFYSA-N 0 3 319.405 2.048 20 30 DEEDHN N#Cc1ccc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)cc1 ZINC000459780849 406042250 /nfs/dbraw/zinc/04/22/50/406042250.db2.gz NMKXIYGTFWPYIM-UHFFFAOYSA-N 0 3 309.413 2.328 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000451082574 406044235 /nfs/dbraw/zinc/04/42/35/406044235.db2.gz UTIZOTOJOCNRFA-IKGGRYGDSA-N 0 3 300.402 2.426 20 30 DEEDHN Cc1nn(C)c(N2CCN(CC3CCCCC3)CC2)c1C#N ZINC000471814567 406121542 /nfs/dbraw/zinc/12/15/42/406121542.db2.gz DMUXYJJLXBWAEG-UHFFFAOYSA-N 0 3 301.438 2.303 20 30 DEEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000517231537 406124637 /nfs/dbraw/zinc/12/46/37/406124637.db2.gz CMSOSFPKDGGCNR-BHYGNILZSA-N 0 3 312.417 2.102 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000568144035 406197450 /nfs/dbraw/zinc/19/74/50/406197450.db2.gz RYAVSBJPGDODIZ-MSOLQXFVSA-N 0 3 302.418 2.094 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3CCO[C@H]3c3ccccc3)cnc12 ZINC000519605601 406220168 /nfs/dbraw/zinc/22/01/68/406220168.db2.gz LLFHKOSWIMVYHA-SJORKVTESA-N 0 3 319.368 2.221 20 30 DEEDHN N#CCC[C@@H](C#N)CNCCCC(=O)N1CCc2ccccc21 ZINC000519819756 406258404 /nfs/dbraw/zinc/25/84/04/406258404.db2.gz MWMCKMLZEZXVTA-HNNXBMFYSA-N 0 3 310.401 2.389 20 30 DEEDHN CC(C)[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCN1C ZINC000487961900 406278527 /nfs/dbraw/zinc/27/85/27/406278527.db2.gz XHSZLRDSVUCEHM-QGZVFWFLSA-N 0 3 314.433 2.159 20 30 DEEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H](C)C(C)(C)C)CC1 ZINC000538138794 406294004 /nfs/dbraw/zinc/29/40/04/406294004.db2.gz GVDDYEWWYCNRIF-HOTGVXAUSA-N 0 3 322.497 2.045 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000546001756 406343283 /nfs/dbraw/zinc/34/32/83/406343283.db2.gz IJXGDCPEMZZOIP-CYBMUJFWSA-N 0 3 302.378 2.030 20 30 DEEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000570516262 406404606 /nfs/dbraw/zinc/40/46/06/406404606.db2.gz SLIHAZAPPVXBTJ-GJZGRUSLSA-N 0 3 313.405 2.284 20 30 DEEDHN COCCN(CCOc1cccc(C#N)c1)[C@@H]1CCO[C@@H]1C ZINC000489500827 406413619 /nfs/dbraw/zinc/41/36/19/406413619.db2.gz OJYVLTLCMWUVQQ-RHSMWYFYSA-N 0 3 304.390 2.063 20 30 DEEDHN C=CCCCS(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000489110730 406378626 /nfs/dbraw/zinc/37/86/26/406378626.db2.gz KRZWVICYJPIADS-UHFFFAOYSA-N 0 3 300.468 2.233 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(OC)CCC(C)CC2)CC1 ZINC000490714595 406485570 /nfs/dbraw/zinc/48/55/70/406485570.db2.gz PZYJJVNHKGKTCH-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000490717371 406485686 /nfs/dbraw/zinc/48/56/86/406485686.db2.gz CTZFWKRWZQHSLT-ZDUSSCGKSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCN(C(=O)NC[C@@]1(N(C)C)CCSC1)C1CCCCC1 ZINC000490779478 406492919 /nfs/dbraw/zinc/49/29/19/406492919.db2.gz WZMRKDDKHAIIPK-KRWDZBQOSA-N 0 3 323.506 2.401 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC000491255858 406555265 /nfs/dbraw/zinc/55/52/65/406555265.db2.gz YIFYXATTYIQVBZ-QGZVFWFLSA-N 0 3 314.433 2.192 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn(CC(C)C)c2C)CC1 ZINC000490893400 406504038 /nfs/dbraw/zinc/50/40/38/406504038.db2.gz UCMWUKZPAGNQHG-UHFFFAOYSA-N 0 3 302.422 2.131 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc(F)c(F)c2F)CC1 ZINC000490938624 406508656 /nfs/dbraw/zinc/50/86/56/406508656.db2.gz YKMXMATXXOSVAM-UHFFFAOYSA-N 0 3 324.346 2.108 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000550572800 406603602 /nfs/dbraw/zinc/60/36/02/406603602.db2.gz FDZYTRRIDPTAMM-MRXNPFEDSA-N 0 3 312.417 2.352 20 30 DEEDHN C#CCNC(=O)CCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000491497558 406605878 /nfs/dbraw/zinc/60/58/78/406605878.db2.gz YPESAKXUKZNVPO-UHFFFAOYSA-N 0 3 300.377 2.444 20 30 DEEDHN C#CCN(C(=O)Nc1cccc(OCCN(C)C)c1)C1CC1 ZINC000491516437 406609198 /nfs/dbraw/zinc/60/91/98/406609198.db2.gz TWTXPFJIROTUJU-UHFFFAOYSA-N 0 3 301.390 2.257 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000491540141 406615279 /nfs/dbraw/zinc/61/52/79/406615279.db2.gz PGKQDHGNCNLRHZ-CHWSQXEVSA-N 0 3 309.410 2.252 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1CCC(C(F)F)CC1 ZINC000491546153 406618442 /nfs/dbraw/zinc/61/84/42/406618442.db2.gz USYVXRABTNWNMK-UHFFFAOYSA-N 0 3 301.381 2.065 20 30 DEEDHN CCOC(=O)Cn1nc(C)c(CN2CCC(CC#N)CC2)c1C ZINC000527354940 406622755 /nfs/dbraw/zinc/62/27/55/406622755.db2.gz PBKISPZYWZFHST-UHFFFAOYSA-N 0 3 318.421 2.189 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C2CC2)cnc1Cl ZINC000491619408 406633914 /nfs/dbraw/zinc/63/39/14/406633914.db2.gz MJTRQNVVLMZQHI-UHFFFAOYSA-N 0 3 305.809 2.297 20 30 DEEDHN C#CCN(CC)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000491703619 406678843 /nfs/dbraw/zinc/67/88/43/406678843.db2.gz XJMDDQHYJSVDGB-KRWDZBQOSA-N 0 3 310.438 2.094 20 30 DEEDHN C#C[C@H](N[C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000491709886 406681831 /nfs/dbraw/zinc/68/18/31/406681831.db2.gz PZXANZWWZPXULG-LRDDRELGSA-N 0 3 309.406 2.303 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000491732641 406693283 /nfs/dbraw/zinc/69/32/83/406693283.db2.gz NHLHZXLWDSPTHP-UHFFFAOYSA-N 0 3 317.408 2.111 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000491746736 406700329 /nfs/dbraw/zinc/70/03/29/406700329.db2.gz MDLRAGZOBNLFQV-UHFFFAOYSA-N 0 3 314.429 2.273 20 30 DEEDHN C#C[C@@H](CC)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000491809240 406729945 /nfs/dbraw/zinc/72/99/45/406729945.db2.gz XXVNEEUFRJPVGL-SFHVURJKSA-N 0 3 314.429 2.033 20 30 DEEDHN C/C=C/c1ccc(OC[C@@H](O)CNCCCC#N)c(OC)c1 ZINC000573200509 406771045 /nfs/dbraw/zinc/77/10/45/406771045.db2.gz WERAMANSVGTHQK-VFQAQYNWSA-N 0 3 304.390 2.361 20 30 DEEDHN C[C@@H](NC(=O)N1CCC(CCC#N)CC1)C1=CCN(C)CC1 ZINC000574448584 406782751 /nfs/dbraw/zinc/78/27/51/406782751.db2.gz RRIBIAHJMBQDLI-CQSZACIVSA-N 0 3 304.438 2.362 20 30 DEEDHN CC#CC[C@@H](CO)NCc1ccc(Br)c(F)c1 ZINC000641767346 406887916 /nfs/dbraw/zinc/88/79/16/406887916.db2.gz JFLZWLWIYMVAIO-NSHDSACASA-N 0 3 300.171 2.452 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000641769679 406888546 /nfs/dbraw/zinc/88/85/46/406888546.db2.gz XWAZORVQIRYQQN-AEFFLSMTSA-N 0 3 303.402 2.108 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cn(C)nc1-c1ccc(F)cc1 ZINC000641768346 406888638 /nfs/dbraw/zinc/88/86/38/406888638.db2.gz ZZFWCANKMZZXJC-INIZCTEOSA-N 0 3 301.365 2.090 20 30 DEEDHN C=CCCC[C@@H](C)NCc1ccc(S(N)(=O)=O)cc1F ZINC000647199784 406970574 /nfs/dbraw/zinc/97/05/74/406970574.db2.gz REFSYPPAAFOQLA-LLVKDONJSA-N 0 3 300.399 2.308 20 30 DEEDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000312678250 298391427 /nfs/dbraw/zinc/39/14/27/298391427.db2.gz KLCKANUBRSREJO-SNVBAGLBSA-N 0 3 315.826 2.007 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570763601 292504162 /nfs/dbraw/zinc/50/41/62/292504162.db2.gz AMLZOWLELUSSCM-ZMSDIMECSA-N 0 3 318.442 2.491 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(OCC(F)F)n2)CC1 ZINC000133013345 196304775 /nfs/dbraw/zinc/30/47/75/196304775.db2.gz JZNRKVJBKXKNTL-UHFFFAOYSA-N 0 3 323.343 2.009 20 30 DEEDHN C[C@H](Cn1cccn1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000330451759 226008009 /nfs/dbraw/zinc/00/80/09/226008009.db2.gz AGVRMQOPURNAMK-OAHLLOKOSA-N 0 3 321.469 2.239 20 30 DEEDHN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCN(CCC(C)(C)C)CC1 ZINC000330451759 226008013 /nfs/dbraw/zinc/00/80/13/226008013.db2.gz AGVRMQOPURNAMK-OAHLLOKOSA-N 0 3 321.469 2.239 20 30 DEEDHN C[C@@H](O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331180321 226066757 /nfs/dbraw/zinc/06/67/57/226066757.db2.gz GVNIKRWHPURLNQ-PBHICJAKSA-N 0 3 300.402 2.378 20 30 DEEDHN COc1ncc(C)cc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000331286347 226077042 /nfs/dbraw/zinc/07/70/42/226077042.db2.gz NKQJSADUUZDIEN-OAHLLOKOSA-N 0 3 324.450 2.162 20 30 DEEDHN Cc1cc(C)nc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000331282629 226077528 /nfs/dbraw/zinc/07/75/28/226077528.db2.gz VQPAPBSHMRWXJP-UHFFFAOYSA-N 0 3 319.453 2.050 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOCC3(CCC3)C2)cc1 ZINC000373829140 227118908 /nfs/dbraw/zinc/11/89/08/227118908.db2.gz PUHBAKGASLUFPT-KRWDZBQOSA-N 0 3 323.396 2.270 20 30 DEEDHN Cc1cc(NCCCN2CCC(O)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413074359 228272495 /nfs/dbraw/zinc/27/24/95/228272495.db2.gz RPZNMAZZJXKLEA-UHFFFAOYSA-N 0 3 318.377 2.034 20 30 DEEDHN Cc1cc(NC[C@@H]2CCCN2CCCO)c(C#N)cc1[N+](=O)[O-] ZINC000413323839 228308401 /nfs/dbraw/zinc/30/84/01/228308401.db2.gz IQGNCEHTVOPNAD-AWEZNQCLSA-N 0 3 318.377 2.034 20 30 DEEDHN N#Cc1cc(NCCN2CC=CCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000360117138 424836221 /nfs/dbraw/zinc/83/62/21/424836221.db2.gz WAQSGSSXNAMMKT-UHFFFAOYSA-N 0 3 323.356 2.688 20 30 DEEDHN CCC(=O)N1CCCN(CCCOc2cccc(C#N)c2)CC1 ZINC000155667093 424862572 /nfs/dbraw/zinc/86/25/72/424862572.db2.gz GLORCXPIOOBDKC-UHFFFAOYSA-N 0 3 315.417 2.271 20 30 DEEDHN CN1CCC(n2ccc(NC(=O)N[C@@H]3C=CCCC3)n2)CC1 ZINC000330218549 424908294 /nfs/dbraw/zinc/90/82/94/424908294.db2.gz OUHJRUXXTFOBEM-CYBMUJFWSA-N 0 3 303.410 2.584 20 30 DEEDHN CCn1nc(NC(=O)NC2CCN(C3CC3)CC2)cc1C1CC1 ZINC000330233531 424908349 /nfs/dbraw/zinc/90/83/49/424908349.db2.gz GAEWDRNRROPUBZ-UHFFFAOYSA-N 0 3 317.437 2.733 20 30 DEEDHN CC(C)OCCN1CCC(Nc2nccc(C#N)c2Cl)CC1 ZINC000429211134 425007226 /nfs/dbraw/zinc/00/72/26/425007226.db2.gz DAAPSSUVWSNYKQ-UHFFFAOYSA-N 0 3 322.840 2.908 20 30 DEEDHN C=C(C)[C@H](CO)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000649406916 425012125 /nfs/dbraw/zinc/01/21/25/425012125.db2.gz RLUSTMSPDZJGMD-INIZCTEOSA-N 0 3 301.386 2.484 20 30 DEEDHN Cc1cc(NC(=O)CCNCc2ccc(C#N)c(Cl)c2)no1 ZINC000591765699 425000960 /nfs/dbraw/zinc/00/09/60/425000960.db2.gz AJNKHOMLQSITKB-UHFFFAOYSA-N 0 3 318.764 2.627 20 30 DEEDHN CN(C)[C@@H](CNc1cc(C#N)cnn1)c1ccc(Cl)cc1 ZINC000596153240 425020255 /nfs/dbraw/zinc/02/02/55/425020255.db2.gz SHVLAQYMNGSMCE-AWEZNQCLSA-N 0 3 301.781 2.716 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880667 425047197 /nfs/dbraw/zinc/04/71/97/425047197.db2.gz RZFLVPCTWMDQBY-FZMZJTMJSA-N 0 3 309.373 2.187 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880667 425047201 /nfs/dbraw/zinc/04/72/01/425047201.db2.gz RZFLVPCTWMDQBY-FZMZJTMJSA-N 0 3 309.373 2.187 20 30 DEEDHN C=CCCNCCS(=O)(=O)c1cccc(Br)c1 ZINC000656705136 425166888 /nfs/dbraw/zinc/16/68/88/425166888.db2.gz OBKGOWQANMVTOZ-UHFFFAOYSA-N 0 3 318.236 2.389 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCCN(C)CCOC ZINC000660828498 425247076 /nfs/dbraw/zinc/24/70/76/425247076.db2.gz ZNGZTBFYVWCQKZ-JKSUJKDBSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)O)CC1 ZINC000664018644 425289649 /nfs/dbraw/zinc/28/96/49/425289649.db2.gz BCUCMSKLILKLET-RHSMWYFYSA-N 0 3 317.433 2.058 20 30 DEEDHN C=CCCn1cc(CN[C@@H](CC(C)C)CN2CCCC2)nn1 ZINC000657478043 425345724 /nfs/dbraw/zinc/34/57/24/425345724.db2.gz WRZLCRPGSZFEDU-INIZCTEOSA-N 0 3 305.470 2.454 20 30 DEEDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2nc(C#N)cs2)C1 ZINC000496452127 267123866 /nfs/dbraw/zinc/12/38/66/267123866.db2.gz IBRGUUBBWWHIRE-NWDGAFQWSA-N 0 3 322.434 2.361 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000654431307 425352943 /nfs/dbraw/zinc/35/29/43/425352943.db2.gz FENPHRHFOBSPQO-QGZVFWFLSA-N 0 3 321.465 2.380 20 30 DEEDHN C[C@H](C[C@@H]1CCCO1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349530910 267165655 /nfs/dbraw/zinc/16/56/55/267165655.db2.gz WUBNCHGURFAXPJ-COXVUDFISA-N 0 3 311.385 2.314 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)NCCOc2ccccc2)C1 ZINC000661376279 425395228 /nfs/dbraw/zinc/39/52/28/425395228.db2.gz AHFISKGPULQGKV-INIZCTEOSA-N 0 3 302.418 2.470 20 30 DEEDHN C=C(C)COCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659037839 425524719 /nfs/dbraw/zinc/52/47/19/425524719.db2.gz JTNYZKLZIAQPQH-MRXNPFEDSA-N 0 3 319.405 2.062 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN1CCCO ZINC000665386263 425560540 /nfs/dbraw/zinc/56/05/40/425560540.db2.gz SOTNVEOPYIXYKK-ZACQAIPSSA-N 0 3 323.481 2.267 20 30 DEEDHN C[C@H](CNC(=O)OC(C)(C)C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000496225020 269205895 /nfs/dbraw/zinc/20/58/95/269205895.db2.gz IBTLGVFVOJCMTI-DOMZBBRYSA-N 0 3 319.405 2.094 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000491633633 273478566 /nfs/dbraw/zinc/47/85/66/273478566.db2.gz URRHZFYOYKMEOW-LJQANCHMSA-N 0 3 321.424 2.397 20 30 DEEDHN COc1ccc(CNC[C@]2(O)CCc3ccccc32)cc1C#N ZINC000132121529 274110352 /nfs/dbraw/zinc/11/03/52/274110352.db2.gz XKOYTEDYSUOSKW-LJQANCHMSA-N 0 3 308.381 2.490 20 30 DEEDHN COc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1C#N ZINC000288680369 274111181 /nfs/dbraw/zinc/11/11/81/274111181.db2.gz XBLQWWYBFVGCNV-YJBOKZPZSA-N 0 3 310.353 2.151 20 30 DEEDHN COc1cnc(NC(=O)N2CCCC23CCN(C)CC3)s1 ZINC000329237317 274165882 /nfs/dbraw/zinc/16/58/82/274165882.db2.gz KDOQJEJWIOIEIQ-UHFFFAOYSA-N 0 3 310.423 2.257 20 30 DEEDHN C[C@@H](NCCn1cccn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112548148 274248452 /nfs/dbraw/zinc/24/84/52/274248452.db2.gz UVLVIULBUFYBKF-LLVKDONJSA-N 0 3 317.780 2.025 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000491677342 275380005 /nfs/dbraw/zinc/38/00/05/275380005.db2.gz YDGCXHPLBKARFD-YPKPFQOOSA-N 0 3 315.373 2.069 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(N)cn1)C(C)C ZINC000449092901 275744370 /nfs/dbraw/zinc/74/43/70/275744370.db2.gz VRGHECWCOUWQCY-MRXNPFEDSA-N 0 3 302.422 2.092 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411784222 275751150 /nfs/dbraw/zinc/75/11/50/275751150.db2.gz GZFMPUOVYLLANC-YVSFHVDLSA-N 0 3 306.450 2.491 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337383096 276036830 /nfs/dbraw/zinc/03/68/30/276036830.db2.gz DUKRFNLETCTPQZ-ZOWXZIJZSA-N 0 3 317.380 2.181 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@]2(CO)CC(C)C)CC1 ZINC000190563094 276894588 /nfs/dbraw/zinc/89/45/88/276894588.db2.gz FBHBNOKCEVPCOS-SFHVURJKSA-N 0 3 323.481 2.219 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000345646123 276927046 /nfs/dbraw/zinc/92/70/46/276927046.db2.gz VLHKPNQTXXJBER-CJNGLKHVSA-N 0 3 308.447 2.328 20 30 DEEDHN CC(C)(C)N1CCC(NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000329552940 277149268 /nfs/dbraw/zinc/14/92/68/277149268.db2.gz DCVAIGLVALVJPT-ZDUSSCGKSA-N 0 3 316.467 2.173 20 30 DEEDHN CS[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1N1CCCC1 ZINC000352472388 278148273 /nfs/dbraw/zinc/14/82/73/278148273.db2.gz CRUFOMNJQOUHKG-ZIAGYGMSSA-N 0 3 307.463 2.109 20 30 DEEDHN C[C@@]1(C(N)=O)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000280764416 279157036 /nfs/dbraw/zinc/15/70/36/279157036.db2.gz OMNGXKOTFHPUSA-OAHLLOKOSA-N 0 3 310.319 2.254 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCOc3ccccc32)[C@H]1C ZINC001088923853 782051904 /nfs/dbraw/zinc/05/19/04/782051904.db2.gz WLPKSLWKGSVUKU-PVAVHDDUSA-N 0 3 312.413 2.155 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CN2CCCCCC2)ncc1C#N ZINC000457710111 280358362 /nfs/dbraw/zinc/35/83/62/280358362.db2.gz FOFCQJZKVRFIJK-CQSZACIVSA-N 0 3 300.406 2.256 20 30 DEEDHN CC1(C)CN(CC(=O)N(CCC#N)CCC#N)[C@@H]2CCC[C@H]21 ZINC000339710665 281230458 /nfs/dbraw/zinc/23/04/58/281230458.db2.gz IOLQKKMJXWRUMN-HUUCEWRRSA-N 0 3 302.422 2.153 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CCCN1C1CCCC1)c1nncn1C ZINC000330295964 289394868 /nfs/dbraw/zinc/39/48/68/289394868.db2.gz JTKVOGMYDZYBND-OCCSQVGLSA-N 0 3 305.426 2.282 20 30 DEEDHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000191719737 293473721 /nfs/dbraw/zinc/47/37/21/293473721.db2.gz REXLGZLSGJMZCM-ZNMIVQPWSA-N 0 3 303.406 2.335 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451635869 293713940 /nfs/dbraw/zinc/71/39/40/293713940.db2.gz YRGZSSFUGOUFRT-DJIMGWMZSA-N 0 3 315.417 2.479 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1(C)C ZINC000329218576 294007953 /nfs/dbraw/zinc/00/79/53/294007953.db2.gz RVQHVJLFPXIOHN-MYYUVRNCSA-N 0 3 309.454 2.175 20 30 DEEDHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000290595617 294320073 /nfs/dbraw/zinc/32/00/73/294320073.db2.gz REXLGZLSGJMZCM-RBSFLKMASA-N 0 3 303.406 2.335 20 30 DEEDHN C[C@@H](COc1ccccc1F)NC(=O)[C@H](N)CCCCC#N ZINC001349824211 1151292592 /nfs/dbraw/zinc/29/25/92/1151292592.db2.gz QCYLHQQIYAOJDL-GXTWGEPZSA-N 0 3 307.369 2.120 20 30 DEEDHN N#Cc1cnn2cc(CN3CCN(C4CCCCC4)CC3)cnc12 ZINC000573325062 326045850 /nfs/dbraw/zinc/04/58/50/326045850.db2.gz FOSWGWDWTSGPEW-UHFFFAOYSA-N 0 3 324.432 2.051 20 30 DEEDHN COC(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)c(C#N)n1 ZINC000574316183 326143629 /nfs/dbraw/zinc/14/36/29/326143629.db2.gz DHOAKYSFCXSDLN-QGZVFWFLSA-N 0 3 324.384 2.455 20 30 DEEDHN CCC[C@@]1(COC)CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000574572970 326167351 /nfs/dbraw/zinc/16/73/51/326167351.db2.gz OGILHKWOSSDPND-KRWDZBQOSA-N 0 3 313.405 2.382 20 30 DEEDHN N#Cc1cnn2cc(CN[C@H]3C[C@@H]3Cc3ccccc3)cnc12 ZINC000575312924 326232896 /nfs/dbraw/zinc/23/28/96/326232896.db2.gz IEQKRNDFNXPLHY-RDJZCZTQSA-N 0 3 303.369 2.322 20 30 DEEDHN COC(=O)c1ccc(NC[C@H](C)N2CCC[C@@H](C)C2)c(C#N)n1 ZINC000575430188 326239600 /nfs/dbraw/zinc/23/96/00/326239600.db2.gz SLHWIBOWYLSGLI-OLZOCXBDSA-N 0 3 316.405 2.272 20 30 DEEDHN Cc1cc(CNC[C@H](O)COc2ccc(C#N)cc2)cc(C)n1 ZINC000575982236 326260629 /nfs/dbraw/zinc/26/06/29/326260629.db2.gz LZKQZVKSHSWFNQ-KRWDZBQOSA-N 0 3 311.385 2.100 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2oc(CCC)nc2C)[C@H]1C ZINC001088982307 782095375 /nfs/dbraw/zinc/09/53/75/782095375.db2.gz OTASJSQNIRXMAO-KGLIPLIRSA-N 0 3 303.406 2.151 20 30 DEEDHN C#CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000181995808 333147975 /nfs/dbraw/zinc/14/79/75/333147975.db2.gz XCAAFRLDKGJOQN-HNNXBMFYSA-N 0 3 318.373 2.212 20 30 DEEDHN C[C@]1(O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000180185488 333159290 /nfs/dbraw/zinc/15/92/90/333159290.db2.gz ICMJOXYHGCMHKK-SFHVURJKSA-N 0 3 310.401 2.420 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCCCN2)cc1 ZINC000580329022 333198542 /nfs/dbraw/zinc/19/85/42/333198542.db2.gz WCWAVOPQKSKULZ-OAHLLOKOSA-N 0 3 316.405 2.465 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(OC(C)C)CC2)CC1 ZINC000531418386 333350649 /nfs/dbraw/zinc/35/06/49/333350649.db2.gz KQHLNTNSSPVMEH-UHFFFAOYSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCN(CC=C)C(=O)CNC1(c2ccccc2)CCOCC1 ZINC000532710217 336268027 /nfs/dbraw/zinc/26/80/27/336268027.db2.gz OTUCVUWWWFOWDD-UHFFFAOYSA-N 0 3 314.429 2.483 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)[C@H]1C ZINC001088990475 782102560 /nfs/dbraw/zinc/10/25/60/782102560.db2.gz YDELAEHHYJBBDH-HIFRSBDPSA-N 0 3 312.417 2.342 20 30 DEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(C2CC2)cc1 ZINC000582781383 337157778 /nfs/dbraw/zinc/15/77/78/337157778.db2.gz ZSYYROAOVPVKLB-RDTXWAMCSA-N 0 3 301.434 2.421 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C#N)CC2)C1 ZINC000582941540 337220162 /nfs/dbraw/zinc/22/01/62/337220162.db2.gz VIBMHKPXDJATMN-HOCLYGCPSA-N 0 3 312.417 2.425 20 30 DEEDHN COc1cccc([C@@H](CNc2ccnc(C#N)n2)N2CCCC2)c1 ZINC000583882742 337377355 /nfs/dbraw/zinc/37/73/55/337377355.db2.gz QWVHSMYKCLJCKU-MRXNPFEDSA-N 0 3 323.400 2.028 20 30 DEEDHN CSC[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000572112662 337591198 /nfs/dbraw/zinc/59/11/98/337591198.db2.gz SMEDOGMWOUEGSA-CYBMUJFWSA-N 0 3 303.349 2.370 20 30 DEEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000264438680 337632514 /nfs/dbraw/zinc/63/25/14/337632514.db2.gz MAHVQZRYHKIHAR-UHFFFAOYSA-N 0 3 303.322 2.193 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCSc2ccccc21 ZINC000516257649 338008964 /nfs/dbraw/zinc/00/89/64/338008964.db2.gz CBJCFRMQFZAXMS-ZFWWWQNUSA-N 0 3 305.447 2.019 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001376294028 1159321543 /nfs/dbraw/zinc/32/15/43/1159321543.db2.gz XJELZLIHDYBMDP-OAHLLOKOSA-N 0 3 313.873 2.005 20 30 DEEDHN CC(C)(C#N)CCN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000496400890 340004693 /nfs/dbraw/zinc/00/46/93/340004693.db2.gz WNFAKFACBQNOKW-HUUCEWRRSA-N 0 3 323.437 2.296 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCS[C@@H](C(C)C)C2)CC1 ZINC000173198367 340360113 /nfs/dbraw/zinc/36/01/13/340360113.db2.gz JMNZVKOMUATTDL-OAHLLOKOSA-N 0 3 311.495 2.420 20 30 DEEDHN COC(=O)CCn1nc(C)c(CN2CCC(CC#N)CC2)c1C ZINC000543780895 341058432 /nfs/dbraw/zinc/05/84/32/341058432.db2.gz RFDGDXPVPJLDJT-UHFFFAOYSA-N 0 3 318.421 2.189 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3oc(=O)[nH]c32)CC1 ZINC000572973347 341711864 /nfs/dbraw/zinc/71/18/64/341711864.db2.gz VFAJHNIANBJWGX-UHFFFAOYSA-N 0 3 315.373 2.304 20 30 DEEDHN C[C@H](CN1CCCC1=O)NCc1cccc(OCCCC#N)c1 ZINC000171246490 341774741 /nfs/dbraw/zinc/77/47/41/341774741.db2.gz XCBQPOFTMJNDRE-OAHLLOKOSA-N 0 3 315.417 2.470 20 30 DEEDHN CC[C@@H](CNC(=O)CC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001378214393 1152223816 /nfs/dbraw/zinc/22/38/16/1152223816.db2.gz QKFHLDNUIIJBHT-HNNXBMFYSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001376879762 1159830869 /nfs/dbraw/zinc/83/08/69/1159830869.db2.gz HVCKDRKFAFRUSV-CQSZACIVSA-N 0 3 313.873 2.194 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)C#N)NCc1ccc(Cl)cc1OC ZINC001378246768 1152249461 /nfs/dbraw/zinc/24/94/61/1152249461.db2.gz LFVSSGPBYOBRLF-BXUZGUMPSA-N 0 3 323.824 2.493 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CCC(=O)OC)c1 ZINC001358052450 1152358016 /nfs/dbraw/zinc/35/80/16/1152358016.db2.gz OXILWNONLPAWDR-OAHLLOKOSA-N 0 3 304.390 2.414 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001330073048 1149045460 /nfs/dbraw/zinc/04/54/60/1149045460.db2.gz YSFSUWPGCIUCDA-LSDHHAIUSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CCOCC)CCC2)C(C)(C)C1 ZINC001330204175 1149068596 /nfs/dbraw/zinc/06/85/96/1149068596.db2.gz QZNSHEKPUDXGDS-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC001330230065 1149074548 /nfs/dbraw/zinc/07/45/48/1149074548.db2.gz KWHYPVHWYIYEPI-OAHLLOKOSA-N 0 3 306.450 2.372 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COC2CCC(C)CC2)C(C)(C)C1 ZINC001330263300 1149083032 /nfs/dbraw/zinc/08/30/32/1149083032.db2.gz SDWSYHUCRFUKGY-JCYILVPMSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001330340317 1149095036 /nfs/dbraw/zinc/09/50/36/1149095036.db2.gz PCZJKGADMAFCSZ-OWYHZJEWSA-N 0 3 310.441 2.416 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCc4ccccc43)[C@@H]2C1 ZINC001330347042 1149096605 /nfs/dbraw/zinc/09/66/05/1149096605.db2.gz MIYGQMSJHPQWTA-FRYIKTPZSA-N 0 3 322.452 2.424 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001378870147 1152473895 /nfs/dbraw/zinc/47/38/95/1152473895.db2.gz KXPFLHGGWPIOIZ-ZQDZILKHSA-N 0 3 314.857 2.429 20 30 DEEDHN CCN(CCNC(=O)CSCc1ccc(C#N)cc1)C1CC1 ZINC000338437906 521050164 /nfs/dbraw/zinc/05/01/64/521050164.db2.gz SKTZPDJLCVVTLH-UHFFFAOYSA-N 0 3 317.458 2.392 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001358794670 1152485763 /nfs/dbraw/zinc/48/57/63/1152485763.db2.gz KOBNRZZULSASES-ZWKOTPCHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451669863 534571796 /nfs/dbraw/zinc/57/17/96/534571796.db2.gz BFDXMFOCOCTSRR-OCCSQVGLSA-N 0 3 319.361 2.165 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000451610785 534607434 /nfs/dbraw/zinc/60/74/34/534607434.db2.gz ZQYQSUOQEXQNMU-AOIWGVFYSA-N 0 3 314.429 2.495 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000451605387 534607641 /nfs/dbraw/zinc/60/76/41/534607641.db2.gz JZQUFCHZAMKCHE-LYRGGWFBSA-N 0 3 324.371 2.417 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCCCS(=O)(=O)c1cccc(C)c1 ZINC000451604378 534609227 /nfs/dbraw/zinc/60/92/27/534609227.db2.gz AHBIXNLPTDFSIY-CVEARBPZSA-N 0 3 309.431 2.092 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000451599212 534611382 /nfs/dbraw/zinc/61/13/82/534611382.db2.gz OCILPIIRFWDMPH-BHTHQVBYSA-N 0 3 306.381 2.325 20 30 DEEDHN C[C@H](CNC(=O)CNc1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000339195950 524383843 /nfs/dbraw/zinc/38/38/43/524383843.db2.gz HKYWKUSQZVPRDZ-LSDHHAIUSA-N 0 3 314.433 2.207 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001368670683 1148565859 /nfs/dbraw/zinc/56/58/59/1148565859.db2.gz VBPVKWLFZXKXHV-KGLIPLIRSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3ccncc3C#N)CC2)C[C@H](C)O1 ZINC000363813843 524587334 /nfs/dbraw/zinc/58/73/34/524587334.db2.gz FBYSQKBMVQPZKA-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=CCN(CCOC)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338360236 526299773 /nfs/dbraw/zinc/29/97/73/526299773.db2.gz PKRIKTZPTOJHSL-MRXNPFEDSA-N 0 3 302.418 2.283 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2C#N)CC1 ZINC000189279772 526600208 /nfs/dbraw/zinc/60/02/08/526600208.db2.gz LKCLMRFQYYJWCE-UHFFFAOYSA-N 0 3 301.365 2.468 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000245460230 526626214 /nfs/dbraw/zinc/62/62/14/526626214.db2.gz VQPOVPRVBQQILV-DLBZAZTESA-N 0 3 315.461 2.274 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000298830953 526629685 /nfs/dbraw/zinc/62/96/85/526629685.db2.gz VYLLASFBUDYPCM-DOMZBBRYSA-N 0 3 307.415 2.170 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000295673828 526740922 /nfs/dbraw/zinc/74/09/22/526740922.db2.gz GHOKDFSHCGQJOU-HNNXBMFYSA-N 0 3 312.413 2.469 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000292825650 526771573 /nfs/dbraw/zinc/77/15/73/526771573.db2.gz OIRNLIXNPQAZBL-UHFFFAOYSA-N 0 3 303.406 2.475 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000297453409 526813067 /nfs/dbraw/zinc/81/30/67/526813067.db2.gz KAWKQISUHBWSHY-UHFFFAOYSA-N 0 3 323.387 2.454 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(OCC=C)cc1 ZINC000296647844 526818136 /nfs/dbraw/zinc/81/81/36/526818136.db2.gz OXFFTNSNWQYTLV-UHFFFAOYSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(N(C)C)cc1C ZINC000297615127 526820692 /nfs/dbraw/zinc/82/06/92/526820692.db2.gz XAXIMQZQEDOIDH-UHFFFAOYSA-N 0 3 302.422 2.138 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000341262275 526890670 /nfs/dbraw/zinc/89/06/70/526890670.db2.gz GOFUWUOQZZJWEW-WMZOPIPTSA-N 0 3 300.402 2.398 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000299313673 526932746 /nfs/dbraw/zinc/93/27/46/526932746.db2.gz WHHSYBNKLGFUHN-UHFFFAOYSA-N 0 3 314.385 2.147 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000341347490 526962602 /nfs/dbraw/zinc/96/26/02/526962602.db2.gz AKZVKLQHDKAWOY-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000374189713 527039339 /nfs/dbraw/zinc/03/93/39/527039339.db2.gz SFMNOYBUILZHBG-QGZVFWFLSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CCC1 ZINC000191705291 527052884 /nfs/dbraw/zinc/05/28/84/527052884.db2.gz GAAHHUQDQNJDME-MRXNPFEDSA-N 0 3 307.482 2.123 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000294781280 527070286 /nfs/dbraw/zinc/07/02/86/527070286.db2.gz RYCAWZAODIUJHL-AWEZNQCLSA-N 0 3 322.836 2.269 20 30 DEEDHN C#CCOc1ccccc1CNCCNC(=O)[C@H](C)CCC ZINC000292698110 527128166 /nfs/dbraw/zinc/12/81/66/527128166.db2.gz NWOBHCZXPQDLTG-OAHLLOKOSA-N 0 3 302.418 2.341 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](N)CCC)cc(OC)c1OC ZINC000236963763 527242348 /nfs/dbraw/zinc/24/23/48/527242348.db2.gz IJVHEXPKSIZYSU-CQSZACIVSA-N 0 3 306.406 2.176 20 30 DEEDHN C=CCn1c(COCC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000337822331 527324877 /nfs/dbraw/zinc/32/48/77/527324877.db2.gz SPSCRUNXHDKQHY-HNNXBMFYSA-N 0 3 319.453 2.065 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCc1ccccc1OCCN(C)C ZINC000299378700 527398832 /nfs/dbraw/zinc/39/88/32/527398832.db2.gz LRRKQTPCJSCUER-OAHLLOKOSA-N 0 3 320.433 2.224 20 30 DEEDHN C=C[C@@H](C)NC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000417646756 527409879 /nfs/dbraw/zinc/40/98/79/527409879.db2.gz DENVKFVBCNASEM-GFCCVEGCSA-N 0 3 307.394 2.332 20 30 DEEDHN CC(C)(C#N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000331116549 527451820 /nfs/dbraw/zinc/45/18/20/527451820.db2.gz DSFUVCPJBDHOCT-UHFFFAOYSA-N 0 3 301.390 2.132 20 30 DEEDHN CC(C)C(=O)NC1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000330387026 527486024 /nfs/dbraw/zinc/48/60/24/527486024.db2.gz MLYJAMXFJBAZLE-UHFFFAOYSA-N 0 3 321.465 2.324 20 30 DEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413908131 527640375 /nfs/dbraw/zinc/64/03/75/527640375.db2.gz BZIOQRZLHNHOHI-INIZCTEOSA-N 0 3 310.369 2.032 20 30 DEEDHN CCN1C[C@@H](C)N(CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000331351117 527928387 /nfs/dbraw/zinc/92/83/87/527928387.db2.gz OBZPBJONFLVSOR-TXEJJXNPSA-N 0 3 318.421 2.121 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC000330660206 528232676 /nfs/dbraw/zinc/23/26/76/528232676.db2.gz BEGSSQPZRGIMQW-NSHDSACASA-N 0 3 310.423 2.281 20 30 DEEDHN CCCNC(=O)CN(CCC)CCCC1(C#N)CCOCC1 ZINC000337127639 528382604 /nfs/dbraw/zinc/38/26/04/528382604.db2.gz HASOUGIREBWBLT-UHFFFAOYSA-N 0 3 309.454 2.325 20 30 DEEDHN CCOC1CC(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292393041 528498783 /nfs/dbraw/zinc/49/87/83/528498783.db2.gz ZXERUUROOJJMKV-PCKAHOCUSA-N 0 3 301.390 2.221 20 30 DEEDHN COc1ccc(C#N)cc1CN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000368621479 536644051 /nfs/dbraw/zinc/64/40/51/536644051.db2.gz DAXQLUCHWUPWBD-HNNXBMFYSA-N 0 3 313.401 2.011 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC(C)(C)O ZINC001369747899 1149135591 /nfs/dbraw/zinc/13/55/91/1149135591.db2.gz KAAGDAHPZVHOBW-CHWSQXEVSA-N 0 3 302.846 2.259 20 30 DEEDHN N#CC(C(=O)CCCC(=O)C1CC1)C(=O)NCc1ccccc1 ZINC000835061192 649873977 /nfs/dbraw/zinc/87/39/77/649873977.db2.gz JPACCRAAQXYERE-HNNXBMFYSA-N 0 3 312.369 2.161 20 30 DEEDHN C/C=C/COc1cccc(CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000835065900 649874601 /nfs/dbraw/zinc/87/46/01/649874601.db2.gz UORAAHZAHOGTFO-DWTRPJMMSA-N 0 3 314.385 2.417 20 30 DEEDHN C/C=C\COc1cccc(CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000835065897 649874561 /nfs/dbraw/zinc/87/45/61/649874561.db2.gz UORAAHZAHOGTFO-AWFCHZOYSA-N 0 3 314.385 2.417 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C1CC(NCc2cccc(F)c2F)C1 ZINC001426234504 1174663326 /nfs/dbraw/zinc/66/33/26/1174663326.db2.gz MUTHPZPFSUGNCG-PKSQDBQZSA-N 0 3 307.344 2.203 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)CSCC#N)cc2C1 ZINC001327682514 1148621698 /nfs/dbraw/zinc/62/16/98/1148621698.db2.gz MEEHEXAWVUCCQR-UHFFFAOYSA-N 0 3 315.442 2.451 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1[nH]nc2ccccc21 ZINC001368741308 1148631078 /nfs/dbraw/zinc/63/10/78/1148631078.db2.gz BTPQHXVDIYFASZ-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn(C)nc1C(C)C ZINC001368748723 1148634924 /nfs/dbraw/zinc/63/49/24/1148634924.db2.gz VNNAHANVCZNMRJ-LBPRGKRZSA-N 0 3 312.845 2.394 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC001574963514 1069309757 /nfs/dbraw/zinc/30/97/57/1069309757.db2.gz WCIZAXJBSRFDCM-RDJZCZTQSA-N 0 3 302.393 2.490 20 30 DEEDHN CCc1ncoc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001379418231 1152621456 /nfs/dbraw/zinc/62/14/56/1152621456.db2.gz LHOCIMFDJPAYMI-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(F)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001379491161 1152632538 /nfs/dbraw/zinc/63/25/38/1152632538.db2.gz JOMBHTIFWZOLEP-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CCCn2ccnc2C)C1 ZINC001379588299 1152647261 /nfs/dbraw/zinc/64/72/61/1152647261.db2.gz SNVMXZKGZFTEJD-ZFWWWQNUSA-N 0 3 324.856 2.303 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnc(OC(C)C)c2)C1 ZINC001027646025 634378986 /nfs/dbraw/zinc/37/89/86/634378986.db2.gz QNNDPVVRJMWWBW-INIZCTEOSA-N 0 3 315.417 2.038 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(Cl)c3F)[C@@H]2C1 ZINC000978648335 634384819 /nfs/dbraw/zinc/38/48/19/634384819.db2.gz BNPZQCFVLIBKSC-ZSOGYDGISA-N 0 3 320.795 2.410 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001379654597 1152665684 /nfs/dbraw/zinc/66/56/84/1152665684.db2.gz JNAXSVVFQLPOQZ-KBPBESRZSA-N 0 3 301.862 2.048 20 30 DEEDHN Cc1cc(CN[C@@H](CCN(C)C(=O)C#CC2CC2)C(C)C)no1 ZINC001329737043 1148984920 /nfs/dbraw/zinc/98/49/20/1148984920.db2.gz ZNTNTWXZTDCXLU-KRWDZBQOSA-N 0 3 317.433 2.359 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001023473053 625283569 /nfs/dbraw/zinc/28/35/69/625283569.db2.gz GRXNGUWHMOUPJO-MRXNPFEDSA-N 0 3 324.428 2.108 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cn(C)c3ccccc23)C1 ZINC001023471971 625284622 /nfs/dbraw/zinc/28/46/22/625284622.db2.gz OSEIMOVFRDQSQR-OAHLLOKOSA-N 0 3 309.413 2.253 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1coc(C)n1 ZINC001025223359 625284641 /nfs/dbraw/zinc/28/46/41/625284641.db2.gz CIXKRSOJTRDGAF-IRXDYDNUSA-N 0 3 315.417 2.465 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nncc3ccccc32)C1 ZINC001023481262 625290110 /nfs/dbraw/zinc/29/01/10/625290110.db2.gz CWNRWAWXVPQAGY-OAHLLOKOSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cncs1 ZINC001025243538 625300405 /nfs/dbraw/zinc/30/04/05/625300405.db2.gz OIJLDGKFAYWBHB-JKSUJKDBSA-N 0 3 317.458 2.164 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001025251541 625306743 /nfs/dbraw/zinc/30/67/43/625306743.db2.gz JAKGGPAROOHJEX-CVEARBPZSA-N 0 3 303.381 2.246 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2cc3ccccc3nn2)C1 ZINC001023523677 625308645 /nfs/dbraw/zinc/30/86/45/625308645.db2.gz QXCJUIQAZNDTAD-CQSZACIVSA-N 0 3 310.401 2.258 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1C ZINC000947567738 625325013 /nfs/dbraw/zinc/32/50/13/625325013.db2.gz HNFLRBMEJVBTEB-OCCSQVGLSA-N 0 3 314.389 2.438 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(OC)cc2C)C1 ZINC001023569609 625330439 /nfs/dbraw/zinc/33/04/39/625330439.db2.gz NOOXZPXIMQXQAB-MRXNPFEDSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025336352 625364255 /nfs/dbraw/zinc/36/42/55/625364255.db2.gz 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/nfs/dbraw/zinc/39/65/81/625396581.db2.gz RQZNBUNNBGOCJJ-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(COC)c(F)c2)C1 ZINC001023722213 625399147 /nfs/dbraw/zinc/39/91/47/625399147.db2.gz VXVFBNOQESHFGZ-AWEZNQCLSA-N 0 3 318.392 2.047 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001025421421 625420771 /nfs/dbraw/zinc/42/07/71/625420771.db2.gz ZVNOGSXIYXJIFR-ZIAGYGMSSA-N 0 3 317.433 2.436 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnn2CC(C)C)C1 ZINC001025430135 625427083 /nfs/dbraw/zinc/42/70/83/625427083.db2.gz BUSNNTZFIAURJA-CVEARBPZSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001025434891 625430909 /nfs/dbraw/zinc/43/09/09/625430909.db2.gz ZDBSOCNGTBSANU-GJZGRUSLSA-N 0 3 316.449 2.102 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001023779503 625436540 /nfs/dbraw/zinc/43/65/40/625436540.db2.gz IMXORCXSNWNXIU-INIZCTEOSA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)nn(CCC)c2C)C1 ZINC000972685645 625439217 /nfs/dbraw/zinc/43/92/17/625439217.db2.gz YZKAWVROGVZKGD-HNNXBMFYSA-N 0 3 304.438 2.242 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001023785861 625439436 /nfs/dbraw/zinc/43/94/36/625439436.db2.gz MWWGZJNRQIYQLN-ZDUSSCGKSA-N 0 3 305.447 2.342 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001025455559 625447892 /nfs/dbraw/zinc/44/78/92/625447892.db2.gz GSGBAKDLMKRJGG-ZIAGYGMSSA-N 0 3 310.401 2.026 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC001023896312 625470265 /nfs/dbraw/zinc/47/02/65/625470265.db2.gz ZGRDZGOCWWSCQB-OLZOCXBDSA-N 0 3 316.405 2.040 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC001025482181 625475037 /nfs/dbraw/zinc/47/50/37/625475037.db2.gz NDIDRBDFVHCFEE-HOTGVXAUSA-N 0 3 309.413 2.403 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001025487049 625479347 /nfs/dbraw/zinc/47/93/47/625479347.db2.gz AGNFBOCATXPSKX-KBPBESRZSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc3c[nH]nc32)C1 ZINC001025501341 625486363 /nfs/dbraw/zinc/48/63/63/625486363.db2.gz CRSZCYBZLGNXMC-DZGCQCFKSA-N 0 3 310.401 2.026 20 30 DEEDHN COc1cc(CNC(=O)[C@@H]2CCCN2C(C)C)ccc1C#N ZINC000936041814 625489304 /nfs/dbraw/zinc/48/93/04/625489304.db2.gz HLORPJBWWSXUCM-HNNXBMFYSA-N 0 3 301.390 2.056 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ocnc2C2CC2)C1 ZINC001025526771 625509428 /nfs/dbraw/zinc/50/94/28/625509428.db2.gz BFHKOJFGSOXALV-TZMCWYRMSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCCN(CC#C)C2)cc1 ZINC001025549249 625529304 /nfs/dbraw/zinc/52/93/04/625529304.db2.gz MSYNIKSEVNOTQO-SJLPKXTDSA-N 0 3 324.424 2.162 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nc(CC)oc2C)C1 ZINC001025556614 625545966 /nfs/dbraw/zinc/54/59/66/625545966.db2.gz WLPCJEUUUIJBEE-HIFRSBDPSA-N 0 3 317.433 2.399 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000969153897 622592480 /nfs/dbraw/zinc/59/24/80/622592480.db2.gz RXOGFTJWGYTBJC-GOEBONIOSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001020411118 622613674 /nfs/dbraw/zinc/61/36/74/622613674.db2.gz UMYDXFDRKKRHFE-HKUMRIAESA-N 0 3 313.239 2.322 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNCc2nccn2C)C1 ZINC001024090880 625585991 /nfs/dbraw/zinc/58/59/91/625585991.db2.gz SLZHJYJHVXJHQM-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001020481964 622714245 /nfs/dbraw/zinc/71/42/45/622714245.db2.gz YFNONQVMWASEKG-OBJOEFQTSA-N 0 3 313.239 2.488 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001020519240 622757979 /nfs/dbraw/zinc/75/79/79/622757979.db2.gz CGGNEHQCFBCGFN-MGPQQGTHSA-N 0 3 305.809 2.101 20 30 DEEDHN C[C@@]1(NC(=O)c2cc3ccccc3n2CC#N)CN2CCC1CC2 ZINC000892782878 625595352 /nfs/dbraw/zinc/59/53/52/625595352.db2.gz CJLFGCVAPYNSSO-LJQANCHMSA-N 0 3 322.412 2.379 20 30 DEEDHN C=C(C)CN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025584490 625596026 /nfs/dbraw/zinc/59/60/26/625596026.db2.gz HYWGRQBWTFESTF-CABCVRRESA-N 0 3 317.433 2.090 20 30 DEEDHN Cc1ccc(CN2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC000969514479 622805010 /nfs/dbraw/zinc/80/50/10/622805010.db2.gz OYQNYWFUXNTYSS-CQSZACIVSA-N 0 3 322.412 2.445 20 30 DEEDHN C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2ccccc2)C1 ZINC000969526967 622807429 /nfs/dbraw/zinc/80/74/29/622807429.db2.gz SFIRIRTXNYZRQO-ZDUSSCGKSA-N 0 3 308.385 2.137 20 30 DEEDHN CC(C)[C@H](F)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000969638224 622859225 /nfs/dbraw/zinc/85/92/25/622859225.db2.gz XCNSULSJGPGYHH-ZBFHGGJFSA-N 0 3 321.371 2.382 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ocnc2-c2ccccc2)C1 ZINC000969819139 622934531 /nfs/dbraw/zinc/93/45/31/622934531.db2.gz SCOGLSKIKBSCKW-CQSZACIVSA-N 0 3 323.396 2.415 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001026642828 625613333 /nfs/dbraw/zinc/61/33/33/625613333.db2.gz PIPFJUTZHNAGOF-HNNXBMFYSA-N 0 3 320.396 2.205 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001025593750 625613675 /nfs/dbraw/zinc/61/36/75/625613675.db2.gz CGOUCWOXDDCXQB-HOCLYGCPSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000970008209 623048570 /nfs/dbraw/zinc/04/85/70/623048570.db2.gz RIMFLPXTTSHHTD-ZDUSSCGKSA-N 0 3 312.417 2.498 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc(C3CC3)s2)C1 ZINC001025602096 625624966 /nfs/dbraw/zinc/62/49/66/625624966.db2.gz XRQHVUAKXPYUSP-GXTWGEPZSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2sccc2OC)C1 ZINC001025602217 625625453 /nfs/dbraw/zinc/62/54/53/625625453.db2.gz ZRYMGWHCZGNSRQ-OLZOCXBDSA-N 0 3 306.431 2.220 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3cscn3)CC2)C1 ZINC000949314593 623213238 /nfs/dbraw/zinc/21/32/38/623213238.db2.gz WRILYLGHDVOBSQ-UHFFFAOYSA-N 0 3 321.446 2.026 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccnc3ccncc32)C1 ZINC000970217233 623335428 /nfs/dbraw/zinc/33/54/28/623335428.db2.gz NUDCQDIXCLKONX-ZDUSSCGKSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CCC3CC3)CC2)C1 ZINC000949326569 623341971 /nfs/dbraw/zinc/34/19/71/623341971.db2.gz ZJWDGFVVSHOXFO-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001025610492 625643127 /nfs/dbraw/zinc/64/31/27/625643127.db2.gz WTHVSQUBNJGAGQ-WBVHZDCISA-N 0 3 313.445 2.216 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC000970332216 623401641 /nfs/dbraw/zinc/40/16/41/623401641.db2.gz RZVPVJBNCYYKFQ-PXAZEXFGSA-N 0 3 302.393 2.478 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC000970332219 623401648 /nfs/dbraw/zinc/40/16/48/623401648.db2.gz RZVPVJBNCYYKFQ-YVEFUNNKSA-N 0 3 302.393 2.478 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccnc(OCC)c2)C1 ZINC000970401309 623440826 /nfs/dbraw/zinc/44/08/26/623440826.db2.gz LQZNYADTCRSHGH-ZDUSSCGKSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC000949331647 623441087 /nfs/dbraw/zinc/44/10/87/623441087.db2.gz AWMQHFZSQSUYOK-OAHLLOKOSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000970474238 623470065 /nfs/dbraw/zinc/47/00/65/623470065.db2.gz WQTRJJWIAIYNES-JTQLQIEISA-N 0 3 310.319 2.177 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000970546582 623533815 /nfs/dbraw/zinc/53/38/15/623533815.db2.gz WIESBAZVGAQHJQ-NUDXDXSLSA-N 0 3 308.425 2.032 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1CN(CCCF)C1 ZINC000970561072 623541793 /nfs/dbraw/zinc/54/17/93/623541793.db2.gz SFNOKELUROFCFL-KBMXLJTQSA-N 0 3 312.429 2.154 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1 ZINC000970559788 623542713 /nfs/dbraw/zinc/54/27/13/623542713.db2.gz FSLYDYVTQWUBLR-XIRDDKMYSA-N 0 3 306.450 2.370 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)noc2CC)C1 ZINC001025618169 625655973 /nfs/dbraw/zinc/65/59/73/625655973.db2.gz JJCBIEBCFWSFLU-TZMCWYRMSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)C1CN(CCCF)C1 ZINC000970712652 623635844 /nfs/dbraw/zinc/63/58/44/623635844.db2.gz ALJUKUYZNPJOOU-ZDUSSCGKSA-N 0 3 321.396 2.056 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(OC)c2OC)C1 ZINC000970794685 623684472 /nfs/dbraw/zinc/68/44/72/623684472.db2.gz GQZMPCJGJWEQCO-ZDUSSCGKSA-N 0 3 318.417 2.330 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C)oc2C)C1 ZINC001021516704 623697541 /nfs/dbraw/zinc/69/75/41/623697541.db2.gz ODMWASWMVSAQEB-NVXWUHKLSA-N 0 3 300.402 2.456 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ccco2)C1 ZINC001021517109 623698286 /nfs/dbraw/zinc/69/82/86/623698286.db2.gz RDXZYSMXGZPCHQ-RDJZCZTQSA-N 0 3 300.402 2.158 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)C[C@H]1C ZINC000947404261 623702926 /nfs/dbraw/zinc/70/29/26/623702926.db2.gz MSHZTQZOUYROLI-VXGBXAGGSA-N 0 3 322.840 2.232 20 30 DEEDHN N#Cc1ccc(N2CCC(NCc3nccn3C3CC3)CC2)nc1 ZINC000892860726 625669883 /nfs/dbraw/zinc/66/98/83/625669883.db2.gz RELQCNPRFKDTHY-UHFFFAOYSA-N 0 3 322.416 2.243 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000160374883 623719867 /nfs/dbraw/zinc/71/98/67/623719867.db2.gz NDVLOHPTXPGAFT-QGZVFWFLSA-N 0 3 302.418 2.008 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(OC)ccc2OC)C1 ZINC000970859191 623746577 /nfs/dbraw/zinc/74/65/77/623746577.db2.gz AQNGSOCMDBVQQK-ZDUSSCGKSA-N 0 3 318.417 2.330 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C)sn2)C1 ZINC001021571916 623774934 /nfs/dbraw/zinc/77/49/34/623774934.db2.gz GEULTUCWXHYVJQ-HIFRSBDPSA-N 0 3 303.431 2.011 20 30 DEEDHN CN(C)c1ccc([C@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1 ZINC000891249268 623793722 /nfs/dbraw/zinc/79/37/22/623793722.db2.gz PZLGQLQKBWHSLP-INIZCTEOSA-N 0 3 314.433 2.165 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2CC)C1 ZINC000970929627 623799211 /nfs/dbraw/zinc/79/92/11/623799211.db2.gz RMSFLNOVNUKQPI-HIFRSBDPSA-N 0 3 313.873 2.050 20 30 DEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932896757 623820261 /nfs/dbraw/zinc/82/02/61/623820261.db2.gz RUJLCLKQVAVYPL-ZJUUUORDSA-N 0 3 306.332 2.003 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]ccc2C2CC2)C1 ZINC001021604549 623821182 /nfs/dbraw/zinc/82/11/82/623821182.db2.gz WVJDFJFSSQHOOE-NVXWUHKLSA-N 0 3 311.429 2.452 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001021612586 623833572 /nfs/dbraw/zinc/83/35/72/623833572.db2.gz COHMEAUEJLKKJS-KDOFPFPSSA-N 0 3 322.412 2.123 20 30 DEEDHN CCCC(=O)N1CC[C@H](N(C)Cc2ccc(OCC#N)cc2)C1 ZINC000970967503 623850318 /nfs/dbraw/zinc/85/03/18/623850318.db2.gz DETZQGQMFPEKLD-INIZCTEOSA-N 0 3 315.417 2.422 20 30 DEEDHN C=CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2snnc2CC)C1 ZINC001021625841 623851459 /nfs/dbraw/zinc/85/14/59/623851459.db2.gz AUTUIUMEMNMMAG-JSGCOSHPSA-N 0 3 320.462 2.213 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC000970990111 623891530 /nfs/dbraw/zinc/89/15/30/623891530.db2.gz UUAGMJSBPQNRPM-RHSMWYFYSA-N 0 3 314.429 2.311 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(OC(C)C)cn2)C1 ZINC000970992171 623894001 /nfs/dbraw/zinc/89/40/01/623894001.db2.gz GGULQEKCPSRXRB-CQSZACIVSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(OC)cs2)C1 ZINC001021648371 623900428 /nfs/dbraw/zinc/90/04/28/623900428.db2.gz KAEQMDZRPQCFRR-ZFWWWQNUSA-N 0 3 318.442 2.316 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCC[C@@H]3CN(CC#CC)CC[C@H]32)c1 ZINC001021668570 623926167 /nfs/dbraw/zinc/92/61/67/623926167.db2.gz OXDALDXHGPKAPG-IEBWSBKVSA-N 0 3 321.424 2.013 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccco2)C1 ZINC001021697818 623978330 /nfs/dbraw/zinc/97/83/30/623978330.db2.gz VOVQSZQIYPRORE-RDJZCZTQSA-N 0 3 300.402 2.158 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000971085396 623983827 /nfs/dbraw/zinc/98/38/27/623983827.db2.gz HFAMJFJUOBDSAM-QGZVFWFLSA-N 0 3 322.412 2.243 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000933058157 624055213 /nfs/dbraw/zinc/05/52/13/624055213.db2.gz AGPPBGTZRNKFLI-MRXNPFEDSA-N 0 3 316.401 2.073 20 30 DEEDHN COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050678747 624060729 /nfs/dbraw/zinc/06/07/29/624060729.db2.gz QNIJXOGUVKVDMZ-INIZCTEOSA-N 0 3 314.385 2.395 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC000971218855 624072735 /nfs/dbraw/zinc/07/27/35/624072735.db2.gz SRMXPFQVYUCBAG-XJKSGUPXSA-N 0 3 303.381 2.348 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC001021840252 624121912 /nfs/dbraw/zinc/12/19/12/624121912.db2.gz IDXCDNZSLIHBPY-BETUJISGSA-N 0 3 324.222 2.149 20 30 DEEDHN C#CCC1(NCC(=O)Nc2nnc(CCCC)s2)CCC1 ZINC000933299010 624159674 /nfs/dbraw/zinc/15/96/74/624159674.db2.gz LVGFLPOQJKSTEC-UHFFFAOYSA-N 0 3 306.435 2.355 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC000971601296 624193930 /nfs/dbraw/zinc/19/39/30/624193930.db2.gz CFEYLWOHYLGZPQ-AWEZNQCLSA-N 0 3 324.856 2.195 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncnc3sccc32)C1 ZINC001022107385 624200390 /nfs/dbraw/zinc/20/03/90/624200390.db2.gz WPJOOLJZZWCCAF-AOOOYVTPSA-N 0 3 322.821 2.294 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC000971663040 624496674 /nfs/dbraw/zinc/49/66/74/624496674.db2.gz MVKNNFRSUMUTME-CQSZACIVSA-N 0 3 302.422 2.113 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC001022216768 624506757 /nfs/dbraw/zinc/50/67/57/624506757.db2.gz OUOCWTULHWAWIN-BETUJISGSA-N 0 3 307.825 2.427 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2c(CC)noc2CC)C1 ZINC000971697343 624508314 /nfs/dbraw/zinc/50/83/14/624508314.db2.gz KCTOPWKTAIKBAM-ZDUSSCGKSA-N 0 3 305.422 2.061 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)c3cocn3)C2)s1 ZINC000998727971 634387264 /nfs/dbraw/zinc/38/72/64/634387264.db2.gz ARHGWTIJEGSPOU-LLVKDONJSA-N 0 3 316.386 2.002 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC000978667289 634388076 /nfs/dbraw/zinc/38/80/76/634388076.db2.gz VSFOXPGZPFEWEU-XYYAHUGASA-N 0 3 306.768 2.020 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC000971890538 624694524 /nfs/dbraw/zinc/69/45/24/624694524.db2.gz UVSZYOHOIZNPLH-AWEZNQCLSA-N 0 3 306.381 2.096 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000971892860 624696057 /nfs/dbraw/zinc/69/60/57/624696057.db2.gz MUKBLSUPZBTFJJ-HNNXBMFYSA-N 0 3 310.401 2.409 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001022493101 624697442 /nfs/dbraw/zinc/69/74/42/624697442.db2.gz NCRVISCVMIBKPS-OCAPTIKFSA-N 0 3 323.702 2.296 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cncc(OC(C)C)c2)C1 ZINC001022539962 624715062 /nfs/dbraw/zinc/71/50/62/624715062.db2.gz QSACBFMQSXHVKD-OKILXGFUSA-N 0 3 323.824 2.472 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC000971914009 624716700 /nfs/dbraw/zinc/71/67/00/624716700.db2.gz CSGGMMFXAJNZLG-UKRRQHHQSA-N 0 3 318.392 2.411 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1ccc(C#N)cc1 ZINC000892046015 624758300 /nfs/dbraw/zinc/75/83/00/624758300.db2.gz KLFYTYFGQUXZFG-JQFCIGGWSA-N 0 3 312.417 2.497 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC001027667144 634411225 /nfs/dbraw/zinc/41/12/25/634411225.db2.gz OXFVNHBARPKGBI-INIZCTEOSA-N 0 3 304.821 2.439 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(OCC)cc2)C1 ZINC001027669755 634416707 /nfs/dbraw/zinc/41/67/07/634416707.db2.gz COLWJSYBLMJTNO-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ncccc2OCCC)C1 ZINC000972232534 624897165 /nfs/dbraw/zinc/89/71/65/624897165.db2.gz SBLYGNYTLQTHGY-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC000972248237 624903081 /nfs/dbraw/zinc/90/30/81/624903081.db2.gz XTLDNEKGLNFUNM-SJLPKXTDSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC000972248236 624903404 /nfs/dbraw/zinc/90/34/04/624903404.db2.gz XTLDNEKGLNFUNM-FUHWJXTLSA-N 0 3 318.465 2.098 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(Cl)cs3)[C@@H]2C1 ZINC000978795456 634427391 /nfs/dbraw/zinc/42/73/91/634427391.db2.gz GVCHSAXFLCLJLL-XYYAHUGASA-N 0 3 308.834 2.332 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(COC)c2)C[C@H]1C ZINC000947512822 625031921 /nfs/dbraw/zinc/03/19/21/625031921.db2.gz YYFIIDWXZXKZMP-RHSMWYFYSA-N 0 3 300.402 2.049 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001024779873 625051049 /nfs/dbraw/zinc/05/10/49/625051049.db2.gz JLXRIOQJBZRTSJ-GOSISDBHSA-N 0 3 313.445 2.360 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C[C@H]1C ZINC000947515272 625054408 /nfs/dbraw/zinc/05/44/08/625054408.db2.gz GBRASBZOTBIXJM-HUUCEWRRSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001024795481 625060363 /nfs/dbraw/zinc/06/03/63/625060363.db2.gz JISSKIKLEFUZBG-AWEZNQCLSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001024809110 625064367 /nfs/dbraw/zinc/06/43/67/625064367.db2.gz NVALCKXJNVCGGB-HOCLYGCPSA-N 0 3 316.449 2.061 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892530820 625105771 /nfs/dbraw/zinc/10/57/71/625105771.db2.gz YSEMOQKWPNMBJF-JSGCOSHPSA-N 0 3 304.390 2.103 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001022963254 625120524 /nfs/dbraw/zinc/12/05/24/625120524.db2.gz YDJVTSYNDIRKJN-OKILXGFUSA-N 0 3 323.824 2.472 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC001023047777 625145569 /nfs/dbraw/zinc/14/55/69/625145569.db2.gz DCAFFWWHYKJAST-BETUJISGSA-N 0 3 324.808 2.307 20 30 DEEDHN CC(=O)N1C[C@@H]2CC[C@H](NCc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001026158353 625160954 /nfs/dbraw/zinc/16/09/54/625160954.db2.gz UKCDFPBWCMELBD-XKQJLSEDSA-N 0 3 301.365 2.044 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001025069067 625192426 /nfs/dbraw/zinc/19/24/26/625192426.db2.gz AJHYYOIUBROVPW-YJBOKZPZSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001025070478 625193164 /nfs/dbraw/zinc/19/31/64/625193164.db2.gz ZONSGHMFZOAVEZ-WMZOPIPTSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCC[C@@H]2CNCc2cnn(C)c2)C1 ZINC001025074697 625196156 /nfs/dbraw/zinc/19/61/56/625196156.db2.gz QYXVWJJPQMUSEU-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccon3)C2)cc1 ZINC001023246380 625196313 /nfs/dbraw/zinc/19/63/13/625196313.db2.gz HENHROKIGCSCGT-INIZCTEOSA-N 0 3 324.384 2.188 20 30 DEEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000893195011 625219737 /nfs/dbraw/zinc/21/97/37/625219737.db2.gz PXHJQJZEQUVXGQ-BPUTZDHNSA-N 0 3 306.431 2.444 20 30 DEEDHN COc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1C#N ZINC000893195163 625220711 /nfs/dbraw/zinc/22/07/11/625220711.db2.gz UWEVHUVBJXZGGG-HUUCEWRRSA-N 0 3 320.364 2.290 20 30 DEEDHN CNC(=S)N(C)N=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000841645929 625232076 /nfs/dbraw/zinc/23/20/76/625232076.db2.gz ADSMSHOQUOOGIP-UHFFFAOYSA-N 0 3 322.453 2.256 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001007458542 625247391 /nfs/dbraw/zinc/24/73/91/625247391.db2.gz YNDUYIUUCOVSCX-HUUCEWRRSA-N 0 3 313.873 2.194 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001023403083 625254512 /nfs/dbraw/zinc/25/45/12/625254512.db2.gz CNYXQYGTZQVAAZ-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccon1 ZINC001025208589 625266930 /nfs/dbraw/zinc/26/69/30/625266930.db2.gz WUGKMICGMPINGX-CVEARBPZSA-N 0 3 301.390 2.157 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC000972567770 625272960 /nfs/dbraw/zinc/27/29/60/625272960.db2.gz KNGHHLQXSBRLGK-DOTOQJQBSA-N 0 3 300.402 2.099 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001023453908 625275744 /nfs/dbraw/zinc/27/57/44/625275744.db2.gz KPSUXHBHKREZAW-GOEBONIOSA-N 0 3 316.449 2.238 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1sc(C)nc1C ZINC000892466044 625753287 /nfs/dbraw/zinc/75/32/87/625753287.db2.gz XCCPUKRRXZDHOC-LBPRGKRZSA-N 0 3 307.419 2.318 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc3n(n2)CCCC3)C1 ZINC000998959113 634453254 /nfs/dbraw/zinc/45/32/54/634453254.db2.gz AARAAWHQLHFBCM-UHFFFAOYSA-N 0 3 322.840 2.165 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001024510353 625828494 /nfs/dbraw/zinc/82/84/94/625828494.db2.gz KDAMUJONUIIMDK-LBPRGKRZSA-N 0 3 322.359 2.022 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001024550630 625871122 /nfs/dbraw/zinc/87/11/22/625871122.db2.gz LTCCALZMHIPXQK-INIZCTEOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)nnc2CC)C1 ZINC000999008475 634460279 /nfs/dbraw/zinc/46/02/79/634460279.db2.gz XYTDRPQKUPPDDD-UHFFFAOYSA-N 0 3 322.840 2.293 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2cccc(F)c2F)C1 ZINC001027705356 634463640 /nfs/dbraw/zinc/46/36/40/634463640.db2.gz QKMFUKGVCJDHCK-OAHLLOKOSA-N 0 3 320.383 2.453 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001024622732 625940269 /nfs/dbraw/zinc/94/02/69/625940269.db2.gz YCFRATWTMWPDET-SJLPKXTDSA-N 0 3 314.404 2.459 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024647144 625948897 /nfs/dbraw/zinc/94/88/97/625948897.db2.gz JQMJFYLZHOVQTB-CABCVRRESA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001024650367 625952306 /nfs/dbraw/zinc/95/23/06/625952306.db2.gz AWOZKDAYCVVOIF-QGZVFWFLSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001024672057 625960712 /nfs/dbraw/zinc/96/07/12/625960712.db2.gz QOIOPUXOZZNNJR-HNNXBMFYSA-N 0 3 318.392 2.442 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000978990680 634471879 /nfs/dbraw/zinc/47/18/79/634471879.db2.gz YJDAWHXLOAVFOH-PHZGNYQRSA-N 0 3 302.805 2.271 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3Cl)[C@@H]2C1 ZINC000978998456 634473403 /nfs/dbraw/zinc/47/34/03/634473403.db2.gz YOTWDNTYAFKBTG-QKDCVEJESA-N 0 3 302.805 2.271 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cl)s3)[C@@H]2C1 ZINC000979025457 634480486 /nfs/dbraw/zinc/48/04/86/634480486.db2.gz HUIWLUHAIAVYRJ-CNDDSTCGSA-N 0 3 308.834 2.332 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000999129029 634483045 /nfs/dbraw/zinc/48/30/45/634483045.db2.gz OVBKVZORFGPSAS-QGZVFWFLSA-N 0 3 318.367 2.459 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000979086770 634496443 /nfs/dbraw/zinc/49/64/43/634496443.db2.gz FWQYCTXXMYXWIZ-LDLYASANSA-N 0 3 324.424 2.016 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N(C)C1CC(NCc2cc(C#N)ccc2F)C1 ZINC000999244475 634533039 /nfs/dbraw/zinc/53/30/39/634533039.db2.gz LLJGLHOEDFKMDA-UTMSUHPFSA-N 0 3 315.392 2.432 20 30 DEEDHN C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979514536 634672882 /nfs/dbraw/zinc/67/28/82/634672882.db2.gz LRHZYASKFHYGRE-XHSDSOJGSA-N 0 3 312.413 2.246 20 30 DEEDHN C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979514536 634672884 /nfs/dbraw/zinc/67/28/84/634672884.db2.gz LRHZYASKFHYGRE-XHSDSOJGSA-N 0 3 312.413 2.246 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000999923648 634707562 /nfs/dbraw/zinc/70/75/62/634707562.db2.gz RKGJSQZLYXKVAF-RCBQFDQVSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000999923433 634708102 /nfs/dbraw/zinc/70/81/02/634708102.db2.gz PVSKLIXIMZJNNR-RCBQFDQVSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)CC1 ZINC001000079108 634734799 /nfs/dbraw/zinc/73/47/99/634734799.db2.gz UNKIHAFRNGRHFK-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cncnc3)C[C@H]2C1 ZINC000979693568 634736469 /nfs/dbraw/zinc/73/64/69/634736469.db2.gz WVDRINYDNWNYLM-KCQAQPDRSA-N 0 3 320.824 2.059 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc(COC)o3)CC2)CC1 ZINC001000204355 634789513 /nfs/dbraw/zinc/78/95/13/634789513.db2.gz AFPRCHKCXZAJMY-UHFFFAOYSA-N 0 3 316.401 2.034 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1c(C)cc(C)cc1C ZINC000836262250 650072754 /nfs/dbraw/zinc/07/27/54/650072754.db2.gz NMIKPXYXXRDBEY-UHFFFAOYSA-N 0 3 301.434 2.366 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000836490307 650097663 /nfs/dbraw/zinc/09/76/63/650097663.db2.gz UAJQNRPDMVTGLI-QWHCGFSZSA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000836490056 650097929 /nfs/dbraw/zinc/09/79/29/650097929.db2.gz FABBDNQDJSGLFO-GOSISDBHSA-N 0 3 313.445 2.449 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCCc2ccccc2CC1 ZINC000836491209 650098111 /nfs/dbraw/zinc/09/81/11/650098111.db2.gz KNPYWQMJEDMAOV-UHFFFAOYSA-N 0 3 313.445 2.142 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)CC)cc2)[C@H](C)C1 ZINC000945808375 633005886 /nfs/dbraw/zinc/00/58/86/633005886.db2.gz OQSPFJGZMSGUOL-QAPCUYQASA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C[C@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000974628733 633183419 /nfs/dbraw/zinc/18/34/19/633183419.db2.gz FITOSFJKQFWPRL-NVXWUHKLSA-N 0 3 314.429 2.393 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C(C)(C)C1 ZINC000974682966 633237878 /nfs/dbraw/zinc/23/78/78/633237878.db2.gz ZOMHRPUCFABTMY-GFCCVEGCSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn3ccc(C)cc23)C(C)(C)C1 ZINC000974716978 633261771 /nfs/dbraw/zinc/26/17/71/633261771.db2.gz UDRSRWZBUGWRFO-KRWDZBQOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cc[nH]c3c2)C(C)(C)C1 ZINC000974731768 633274811 /nfs/dbraw/zinc/27/48/11/633274811.db2.gz RTQBNTYILHIJFW-INIZCTEOSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cncc3[nH]ccc32)C(C)(C)C1 ZINC000974764667 633291250 /nfs/dbraw/zinc/29/12/50/633291250.db2.gz CUCFWLDUJDWBMN-INIZCTEOSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C(C)(C)C1 ZINC000974824608 633320134 /nfs/dbraw/zinc/32/01/34/633320134.db2.gz IAQMXFIHHMTBRN-HNNXBMFYSA-N 0 3 317.433 2.366 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nccc3occc32)C(C)(C)C1 ZINC000974853870 633333748 /nfs/dbraw/zinc/33/37/48/633333748.db2.gz MWHLKAUYTHOUTI-HNNXBMFYSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nccc3occc32)C(C)(C)C1 ZINC000974853873 633333874 /nfs/dbraw/zinc/33/38/74/633333874.db2.gz MWHLKAUYTHOUTI-OAHLLOKOSA-N 0 3 311.385 2.291 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNCc3ocnc3C)C2)C1 ZINC001027051029 633378626 /nfs/dbraw/zinc/37/86/26/633378626.db2.gz PEGZGWWGFGAQMK-CQSZACIVSA-N 0 3 303.406 2.277 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(OC)c2C)C(C)(C)C1 ZINC000975083866 633413870 /nfs/dbraw/zinc/41/38/70/633413870.db2.gz NJYVAFHNJBIOMU-QGZVFWFLSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C(C)(C)C1 ZINC000975089571 633415789 /nfs/dbraw/zinc/41/57/89/633415789.db2.gz VNOYMYFFVYOECJ-FMKPAKJESA-N 0 3 300.402 2.233 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)nn2CC)C(C)(C)C1 ZINC000975101512 633418838 /nfs/dbraw/zinc/41/88/38/633418838.db2.gz AETDHRFWYLKQKN-HNNXBMFYSA-N 0 3 304.438 2.228 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cn2ccnc2C(C)C)C(C)(C)C1 ZINC000975097297 633425540 /nfs/dbraw/zinc/42/55/40/633425540.db2.gz ADMVLZDWZWKOKN-OAHLLOKOSA-N 0 3 318.465 2.409 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N[C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000996877975 633488231 /nfs/dbraw/zinc/48/82/31/633488231.db2.gz QZLHKTTWBTVIFG-LBPRGKRZSA-N 0 3 319.453 2.221 20 30 DEEDHN COc1cccc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000125184534 633514732 /nfs/dbraw/zinc/51/47/32/633514732.db2.gz OFYXQTQPBLVGBV-OAHLLOKOSA-N 0 3 323.352 2.370 20 30 DEEDHN N#CC(C(=O)COC1CCCCC1)C(=O)Nc1ccccn1 ZINC000125245513 633517017 /nfs/dbraw/zinc/51/70/17/633517017.db2.gz QCESWELMJQNEJE-ZDUSSCGKSA-N 0 3 301.346 2.078 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2scnc2C)CC1 ZINC000996950055 633537872 /nfs/dbraw/zinc/53/78/72/633537872.db2.gz WTVQVYIASQBNJR-GFCCVEGCSA-N 0 3 305.447 2.305 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC000996952483 633540270 /nfs/dbraw/zinc/54/02/70/633540270.db2.gz AWVBNCLROGTVEW-KRWDZBQOSA-N 0 3 321.421 2.366 20 30 DEEDHN CC[C@H](F)CN1CCC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000997000049 633557964 /nfs/dbraw/zinc/55/79/64/633557964.db2.gz OIVPSCUGUPKIPZ-DOMZBBRYSA-N 0 3 320.412 2.465 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2CC(OCC)C2)CC1 ZINC000997053387 633565773 /nfs/dbraw/zinc/56/57/73/633565773.db2.gz JBDJXIBIQVXELQ-ODIFPOPNSA-N 0 3 306.450 2.042 20 30 DEEDHN COc1cccc(CN(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1 ZINC001027336945 633664780 /nfs/dbraw/zinc/66/47/80/633664780.db2.gz WGQKVSODVRLTSD-ZBFHGGJFSA-N 0 3 315.417 2.278 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ncccc2CC)CC1 ZINC000997185484 633670811 /nfs/dbraw/zinc/67/08/11/633670811.db2.gz GSNPKSAWSXPXLG-OAHLLOKOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cncc3[nH]ccc32)CC1 ZINC000997202546 633674436 /nfs/dbraw/zinc/67/44/36/633674436.db2.gz ICCQOKLDMFOZQQ-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc3cnccc3c2)CC1 ZINC000997224926 633679958 /nfs/dbraw/zinc/67/99/58/633679958.db2.gz HWKAYDZOIASIQE-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(Cl)cn2C)CC1 ZINC000997214941 633684131 /nfs/dbraw/zinc/68/41/31/633684131.db2.gz DVPJAJVOXXZRCW-GFCCVEGCSA-N 0 3 307.825 2.142 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2csc(C)n2)CC1 ZINC000997279940 633694953 /nfs/dbraw/zinc/69/49/53/633694953.db2.gz RTEVBYWRVWNHRW-GFCCVEGCSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2oc(CC3CC3)nc2C)C1 ZINC001027413383 633753211 /nfs/dbraw/zinc/75/32/11/633753211.db2.gz OMEAJFQQOSHCBV-OAHLLOKOSA-N 0 3 315.417 2.105 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nc(C)c(C)s2)CC1 ZINC000997436135 633757103 /nfs/dbraw/zinc/75/71/03/633757103.db2.gz QAGADZHIVJLCAX-GFCCVEGCSA-N 0 3 305.447 2.223 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C)n(C)c2C)CC1 ZINC000997419678 633759801 /nfs/dbraw/zinc/75/98/01/633759801.db2.gz HZZHYXHQPAZTSU-OAHLLOKOSA-N 0 3 315.461 2.496 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)noc2CC)CC1 ZINC000997421752 633760563 /nfs/dbraw/zinc/76/05/63/633760563.db2.gz QZYYTEUMHTVLNQ-GFCCVEGCSA-N 0 3 303.406 2.009 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001027430622 633773416 /nfs/dbraw/zinc/77/34/16/633773416.db2.gz UWQVGEOWKOFSJS-LSDHHAIUSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001027430621 633773501 /nfs/dbraw/zinc/77/35/01/633773501.db2.gz UWQVGEOWKOFSJS-HUUCEWRRSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cncc3ccccc32)C1 ZINC001027449664 633802560 /nfs/dbraw/zinc/80/25/60/633802560.db2.gz FOXOQUXNJSZDEY-GOSISDBHSA-N 0 3 321.424 2.333 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2oc(C)nc2C)CC1 ZINC000997522203 633824311 /nfs/dbraw/zinc/82/43/11/633824311.db2.gz XGQXUONAAVQQAJ-LBPRGKRZSA-N 0 3 303.406 2.145 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ncoc2CC)CC1 ZINC000997522343 633825819 /nfs/dbraw/zinc/82/58/19/633825819.db2.gz ZADHVOWUMYLGHO-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001027468998 633840018 /nfs/dbraw/zinc/84/00/18/633840018.db2.gz RIERZANBPMBCKA-CZUORRHYSA-N 0 3 317.433 2.341 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001027489188 633875106 /nfs/dbraw/zinc/87/51/06/633875106.db2.gz OXSWNJNSUYRYKD-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc3cnccc3c2)C1 ZINC001027488870 633878046 /nfs/dbraw/zinc/87/80/46/633878046.db2.gz GNXCSFAQRXZEPL-IBGZPJMESA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(Cl)cn2C)CC1 ZINC000997670649 633923890 /nfs/dbraw/zinc/92/38/90/633923890.db2.gz DVPJAJVOXXZRCW-LBPRGKRZSA-N 0 3 307.825 2.142 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001027512197 633944396 /nfs/dbraw/zinc/94/43/96/633944396.db2.gz ZCDRQHMNAGCXAG-INIZCTEOSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(CCC)c2C)C(C)(C)C1 ZINC000977377937 633953747 /nfs/dbraw/zinc/95/37/47/633953747.db2.gz NENZRPBJAAWRLZ-INIZCTEOSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(CCC)CC1(C)C ZINC000977443361 633987825 /nfs/dbraw/zinc/98/78/25/633987825.db2.gz ZZBIZRCRRZNPHJ-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2coc(CCC)n2)CC1 ZINC000997837686 634006355 /nfs/dbraw/zinc/00/63/55/634006355.db2.gz YSJXIIODTUDOJQ-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(OC)c2)CC1 ZINC000997844490 634007608 /nfs/dbraw/zinc/00/76/08/634007608.db2.gz OZAIHCIIUIHWSE-AWEZNQCLSA-N 0 3 300.402 2.159 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)nc1 ZINC000977493283 634008648 /nfs/dbraw/zinc/00/86/48/634008648.db2.gz CCJUYWIFMJKYAP-QGZVFWFLSA-N 0 3 311.429 2.469 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c[nH]c3ncccc23)CC1 ZINC000997866663 634015151 /nfs/dbraw/zinc/01/51/51/634015151.db2.gz MNFWKRFASFZHLS-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001027539821 634041519 /nfs/dbraw/zinc/04/15/19/634041519.db2.gz QEFHKMIMMUFTJG-GOEBONIOSA-N 0 3 312.413 2.352 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccnc2OC(C)C)[C@H](C)C1 ZINC000946418531 634047834 /nfs/dbraw/zinc/04/78/34/634047834.db2.gz FZOXHCIVXNJDJN-GDBMZVCRSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2snnc2C)CC1 ZINC000997923650 634063643 /nfs/dbraw/zinc/06/36/43/634063643.db2.gz YGGKRPXGMVZXPP-CQSZACIVSA-N 0 3 320.462 2.186 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cncnc2C(C)C)C(C)(C)C1 ZINC000977618685 634073354 /nfs/dbraw/zinc/07/33/54/634073354.db2.gz JTBFZYJTYJWUPE-OAHLLOKOSA-N 0 3 314.433 2.064 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977655972 634084382 /nfs/dbraw/zinc/08/43/82/634084382.db2.gz ARUSKQDQBMDDKN-ZBFHGGJFSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CNCc2ccn(CC)n2)CC1 ZINC000997969136 634084955 /nfs/dbraw/zinc/08/49/55/634084955.db2.gz XGFJRNJGFJRPBC-UHFFFAOYSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2c(Cl)cnn2C)CC1 ZINC000998009383 634109019 /nfs/dbraw/zinc/10/90/19/634109019.db2.gz BYXKSTOUQMUMIK-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(OC)ccn2)CC1 ZINC000998081862 634135427 /nfs/dbraw/zinc/13/54/27/634135427.db2.gz YWAMGZJNMADSNW-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2nc(C)c[nH]2)CC1 ZINC000998142044 634153570 /nfs/dbraw/zinc/15/35/70/634153570.db2.gz SIIQSBXELMANTD-HNNXBMFYSA-N 0 3 302.422 2.058 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ncccc2F)CC1 ZINC000998168584 634157795 /nfs/dbraw/zinc/15/77/95/634157795.db2.gz DJIFANMHXQFFAG-AWEZNQCLSA-N 0 3 303.381 2.171 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(OC)c(C)c(OC)c1 ZINC000931541362 634172023 /nfs/dbraw/zinc/17/20/23/634172023.db2.gz VLOYXPNOMHRQTQ-UHFFFAOYSA-N 0 3 319.405 2.089 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cccnc2)CC[C@@H]1C(F)(F)F ZINC000998230781 634176452 /nfs/dbraw/zinc/17/64/52/634176452.db2.gz DXQRYQHDBYEFMK-STQMWFEESA-N 0 3 313.323 2.250 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ocnc2C)CC[C@@H]1C(F)(F)F ZINC000998251861 634188911 /nfs/dbraw/zinc/18/89/11/634188911.db2.gz RWLOQOJSJQLTRR-WDEREUQCSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2nccs2)CC[C@H]1C(F)(F)F ZINC000998318312 634210294 /nfs/dbraw/zinc/21/02/94/634210294.db2.gz YCIAAHYDYONZRB-NXEZZACHSA-N 0 3 319.352 2.312 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2cccs2)C1 ZINC001027601235 634259255 /nfs/dbraw/zinc/25/92/55/634259255.db2.gz VBUDQPQAJARECT-GJZGRUSLSA-N 0 3 304.459 2.483 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2oc(C3CC3)nc2C)C1 ZINC001027607996 634273559 /nfs/dbraw/zinc/27/35/59/634273559.db2.gz KQICSUYNTDHXME-AWEZNQCLSA-N 0 3 301.390 2.030 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001027606877 634274715 /nfs/dbraw/zinc/27/47/15/634274715.db2.gz OFSTZNBVWGTHBD-OQIJWPOYSA-N 0 3 308.425 2.128 20 30 DEEDHN CSCC(=O)N1CCC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000998467672 634283604 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CSCC(=O)N1C[C@@H](CNCc2ccccc2C#N)C[C@H]1C ZINC000980348049 634965481 /nfs/dbraw/zinc/96/54/81/634965481.db2.gz IGIPFRFJYYFIKU-ZIAGYGMSSA-N 0 3 317.458 2.248 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2cc(C)ccc2C)C1 ZINC000980383896 634980864 /nfs/dbraw/zinc/98/08/64/634980864.db2.gz WSDCIKNEGYAQNR-INIZCTEOSA-N 0 3 302.418 2.401 20 30 DEEDHN C[C@@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)c1cnco1 ZINC000980662619 635081691 /nfs/dbraw/zinc/08/16/91/635081691.db2.gz HZCMEPOQIRZNOO-KGLIPLIRSA-N 0 3 324.384 2.187 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccn(C(C)C)n3)CC2)CC1 ZINC001000279131 635127382 /nfs/dbraw/zinc/12/73/82/635127382.db2.gz IEOMPMVCVYXOJP-UHFFFAOYSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cnc(CC)s3)CC2)CC1 ZINC001000339222 635146785 /nfs/dbraw/zinc/14/67/85/635146785.db2.gz XRIQLLJEYRIRFJ-UHFFFAOYSA-N 0 3 317.458 2.313 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1COC ZINC001027994327 635184835 /nfs/dbraw/zinc/18/48/35/635184835.db2.gz MXYFLSIUFSRRHR-MRXNPFEDSA-N 0 3 300.402 2.051 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001028011758 635244616 /nfs/dbraw/zinc/24/46/16/635244616.db2.gz XKWSNVQMPARCBD-INIZCTEOSA-N 0 3 300.402 2.221 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc3n2[C@H](C)CCC3)CC1 ZINC001000716802 635287134 /nfs/dbraw/zinc/28/71/34/635287134.db2.gz ILUZDSKNOPZLGJ-CQSZACIVSA-N 0 3 314.433 2.328 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccnn2[C@H](C)CC)CC1 ZINC001000741137 635293345 /nfs/dbraw/zinc/29/33/45/635293345.db2.gz CRFRMWFJULRWNH-CQSZACIVSA-N 0 3 302.422 2.402 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001028034176 635332453 /nfs/dbraw/zinc/33/24/53/635332453.db2.gz MUHXFGGJDRRDSM-GDBMZVCRSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028054121 635383507 /nfs/dbraw/zinc/38/35/07/635383507.db2.gz RSKQZKZVRKELSL-MRXNPFEDSA-N 0 3 311.429 2.485 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001028058559 635390493 /nfs/dbraw/zinc/39/04/93/635390493.db2.gz IJJBZQJGDIMIMI-ZDUSSCGKSA-N 0 3 313.357 2.152 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H](NCc3nccn3C)C2)C1 ZINC000981320639 635433713 /nfs/dbraw/zinc/43/37/13/635433713.db2.gz WTAQXGFSBNYIPS-LSDHHAIUSA-N 0 3 316.449 2.293 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC001001340324 635467814 /nfs/dbraw/zinc/46/78/14/635467814.db2.gz FSWHCFHEMJXHIW-UHFFFAOYSA-N 0 3 310.401 2.419 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c3ccccc3nn2C)CC1 ZINC001001339993 635467847 /nfs/dbraw/zinc/46/78/47/635467847.db2.gz YQTFPOZJNOFDHE-UHFFFAOYSA-N 0 3 310.401 2.121 20 30 DEEDHN CC#CCN1CC=C(CNC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC001001355976 635472601 /nfs/dbraw/zinc/47/26/01/635472601.db2.gz AYBAXIVHUWXEMK-UHFFFAOYSA-N 0 3 314.433 2.227 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC001001396446 635477099 /nfs/dbraw/zinc/47/70/99/635477099.db2.gz QSLBASZSUNLAMU-ZFWWWQNUSA-N 0 3 300.402 2.478 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cncc(OC)c2C)CC1 ZINC000981447566 635487111 /nfs/dbraw/zinc/48/71/11/635487111.db2.gz XUJDBESARIXGIB-UHFFFAOYSA-N 0 3 303.406 2.123 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC001001418389 635493084 /nfs/dbraw/zinc/49/30/84/635493084.db2.gz KBCQIQWPDURCKO-UHFFFAOYSA-N 0 3 311.429 2.227 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c(F)cc(C)cc2F)CC1 ZINC001001610230 635532468 /nfs/dbraw/zinc/53/24/68/635532468.db2.gz AOVATWGHNIOPML-UHFFFAOYSA-N 0 3 306.356 2.348 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cccc3c2O[C@@H](C)C3)CC1 ZINC001001647588 635534444 /nfs/dbraw/zinc/53/44/44/635534444.db2.gz WNFVPEOKCCWNJI-AWEZNQCLSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cn(C)c3ccccc23)CC1 ZINC001001601586 635534779 /nfs/dbraw/zinc/53/47/79/635534779.db2.gz XQBDUFNQELMODM-UHFFFAOYSA-N 0 3 309.413 2.253 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2ccc(OC)nc2)CC1 ZINC000981599932 635555551 /nfs/dbraw/zinc/55/55/51/635555551.db2.gz KWTGFKKEQDNQAJ-UHFFFAOYSA-N 0 3 317.433 2.133 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CC23CC(OCC)C3)CC1 ZINC001001826229 635556376 /nfs/dbraw/zinc/55/63/76/635556376.db2.gz SYHOLOMHNKTNLQ-HFCFLWKCSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001001850497 635561284 /nfs/dbraw/zinc/56/12/84/635561284.db2.gz AKKIOFSLKYWAMA-XHSDSOJGSA-N 0 3 312.429 2.154 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccncc2Cl)CC1 ZINC001001882326 635567138 /nfs/dbraw/zinc/56/71/38/635567138.db2.gz HBAMVTZVAMDPBX-UHFFFAOYSA-N 0 3 305.809 2.200 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000981691618 635596219 /nfs/dbraw/zinc/59/62/19/635596219.db2.gz IUIWSWGPXAUVJZ-UHFFFAOYSA-N 0 3 318.417 2.466 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CCCN2CCn2cccn2)CC1 ZINC001028115206 635596245 /nfs/dbraw/zinc/59/62/45/635596245.db2.gz AAVFFVBAGADTPQ-KRWDZBQOSA-N 0 3 316.449 2.210 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(CCC)on2)CC1 ZINC001002003720 635600962 /nfs/dbraw/zinc/60/09/62/635600962.db2.gz KCKNZLQCIGNYOJ-UHFFFAOYSA-N 0 3 303.406 2.092 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c3ccccc3nn2C)CC1 ZINC001002012423 635603383 /nfs/dbraw/zinc/60/33/83/635603383.db2.gz UKFCWZMXDPOQKP-UHFFFAOYSA-N 0 3 324.428 2.038 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2csc(CC(C)C)n2)CC1 ZINC001002175310 635632854 /nfs/dbraw/zinc/63/28/54/635632854.db2.gz WHRFAAVTVMOCCQ-UHFFFAOYSA-N 0 3 319.474 2.417 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c[nH]nc3C(C)C)C2)C1 ZINC000981868467 635700402 /nfs/dbraw/zinc/70/04/02/635700402.db2.gz FFCGIRLAXACROE-UHFFFAOYSA-N 0 3 302.422 2.257 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC2(C1)CCCN(CCn1cccn1)C2 ZINC000981932623 635736295 /nfs/dbraw/zinc/73/62/95/635736295.db2.gz CFTVXNOOOZFEDK-UHFFFAOYSA-N 0 3 316.449 2.020 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028166979 635762880 /nfs/dbraw/zinc/76/28/80/635762880.db2.gz RPHWVNBAGQQTPA-QGZVFWFLSA-N 0 3 307.397 2.452 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028190215 635798512 /nfs/dbraw/zinc/79/85/12/635798512.db2.gz PIJKHOXJQKTTPK-AWEZNQCLSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cccc4c3OCC4)C2)C1 ZINC000982032680 635830101 /nfs/dbraw/zinc/83/01/01/635830101.db2.gz YJNIDBQQCXZSON-UHFFFAOYSA-N 0 3 312.413 2.346 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc(C4CC4)nc3)C2)C1 ZINC000982054439 635846688 /nfs/dbraw/zinc/84/66/88/635846688.db2.gz DZSJOJLGAQJTDR-UHFFFAOYSA-N 0 3 312.417 2.078 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3ccc(OC)o3)C2)C1 ZINC000982080355 635863911 /nfs/dbraw/zinc/86/39/11/635863911.db2.gz GPVHDJLUOVKCHX-UHFFFAOYSA-N 0 3 304.390 2.402 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000982100758 635867581 /nfs/dbraw/zinc/86/75/81/635867581.db2.gz ZXZYIGLMKUEDOX-IPMKNSEASA-N 0 3 308.425 2.130 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c[nH]c4cccnc34)C2)C1 ZINC000982117845 635876254 /nfs/dbraw/zinc/87/62/54/635876254.db2.gz ASEBHQMAWXDDML-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cccnc3OCC)C2)C1 ZINC000982136688 635888990 /nfs/dbraw/zinc/88/89/90/635888990.db2.gz VUDZBHCKHDWBBR-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)C3CCOCC3)C2)C1 ZINC000982176777 635896284 /nfs/dbraw/zinc/89/62/84/635896284.db2.gz PWENNZZOHJVKFF-HNNXBMFYSA-N 0 3 306.450 2.160 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccc(F)cn3)C[C@]2(C)C1 ZINC000982262706 635930062 /nfs/dbraw/zinc/93/00/62/635930062.db2.gz HJVZMBNWCGRNBR-CALCHBBNSA-N 0 3 303.381 2.191 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(C)sn3)C[C@]2(C)C1 ZINC000982263509 635930482 /nfs/dbraw/zinc/93/04/82/635930482.db2.gz PARIBFWHRXXOMC-IYBDPMFKSA-N 0 3 305.447 2.422 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(C)nnc3C)C[C@]2(C)C1 ZINC000982289692 635950097 /nfs/dbraw/zinc/95/00/97/635950097.db2.gz YYAXJYDSJPEBQS-HDICACEKSA-N 0 3 314.433 2.063 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3(F)CCCC3)C[C@]2(C)C1 ZINC000982320158 635969436 /nfs/dbraw/zinc/96/94/36/635969436.db2.gz AKXDZSKVKNFVKX-CALCHBBNSA-N 0 3 306.425 2.462 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(OC)cccc1OC ZINC001028283261 636019988 /nfs/dbraw/zinc/01/99/88/636019988.db2.gz 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CNC(=S)NN=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842523305 650760063 /nfs/dbraw/zinc/76/00/63/650760063.db2.gz ZAFSJQZGODOODG-UHFFFAOYSA-N 0 3 302.447 2.265 20 30 DEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000780670597 642658289 /nfs/dbraw/zinc/65/82/89/642658289.db2.gz MQHWJMWRUDDFKB-OLZOCXBDSA-N 0 3 302.378 2.193 20 30 DEEDHN CN(C)[C@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000780848974 642679296 /nfs/dbraw/zinc/67/92/96/642679296.db2.gz SYHTZZROLROQBF-MSOLQXFVSA-N 0 3 323.396 2.011 20 30 DEEDHN C#CCOc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000781444216 642753706 /nfs/dbraw/zinc/75/37/06/642753706.db2.gz UGIVDOFZXFFAHJ-AWEZNQCLSA-N 0 3 313.401 2.471 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cn4c(n3)CCCC4)CCC[C@@H]12 ZINC000990903045 642792007 /nfs/dbraw/zinc/79/20/07/642792007.db2.gz ARGRKRITUUVJLV-CRAIPNDOSA-N 0 3 314.433 2.132 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)n(C(F)F)n3)CCC[C@H]12 ZINC000990936993 642874158 /nfs/dbraw/zinc/87/41/58/642874158.db2.gz 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304.390 2.467 20 30 DEEDHN C[C@H](C#N)OCCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000801921534 645462627 /nfs/dbraw/zinc/46/26/27/645462627.db2.gz GAJNPJHBBWCXOZ-RISCZKNCSA-N 0 3 316.323 2.431 20 30 DEEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2)o1)C(=O)NC1CC1 ZINC000129313735 645504073 /nfs/dbraw/zinc/50/40/73/645504073.db2.gz NYRUCJPYYDFKLT-AWEZNQCLSA-N 0 3 323.352 2.262 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccc(C)nn2)cc1 ZINC000843896966 651045440 /nfs/dbraw/zinc/04/54/40/651045440.db2.gz PBYAZEWDZJZACP-UHFFFAOYSA-N 0 3 322.412 2.137 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1ccc2c(c1)OCO2 ZINC000912083870 645930515 /nfs/dbraw/zinc/93/05/15/645930515.db2.gz REHCKKFORMARAK-AWEZNQCLSA-N 0 3 304.390 2.447 20 30 DEEDHN C=CCn1c(C2CC2)nn(CN2CCN(C)C[C@@H]2CC)c1=S ZINC000840092972 645944663 /nfs/dbraw/zinc/94/46/63/645944663.db2.gz DIJSLOBELPPCOP-AWEZNQCLSA-N 0 3 321.494 2.461 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(C(=O)NC)CC1 ZINC000912160120 645977500 /nfs/dbraw/zinc/97/75/00/645977500.db2.gz 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C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cccc3c[nH]nc31)C2 ZINC001054173846 693871160 /nfs/dbraw/zinc/87/11/60/693871160.db2.gz HPNHHUGXVRBYMA-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1occc1C)C2 ZINC001054193407 693877108 /nfs/dbraw/zinc/87/71/08/693877108.db2.gz XFVKRDMEHNXNDV-GOSISDBHSA-N 0 3 300.402 2.078 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ocnc1C1CC1)C2 ZINC001054197286 693877950 /nfs/dbraw/zinc/87/79/50/693877950.db2.gz UZSHMZITJQHXDI-GOSISDBHSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ocnc1C(F)F)C2 ZINC001054198307 693879552 /nfs/dbraw/zinc/87/95/52/693879552.db2.gz VIDBRVYDTQLANT-INIZCTEOSA-N 0 3 323.343 2.174 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(OC)o1)C2 ZINC001054218624 693886152 /nfs/dbraw/zinc/88/61/52/693886152.db2.gz XWABBEMDKCFTHV-GOSISDBHSA-N 0 3 316.401 2.240 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2C1 ZINC001054278002 693912294 /nfs/dbraw/zinc/91/22/94/693912294.db2.gz 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ZINC001032203184 689082394 /nfs/dbraw/zinc/08/23/94/689082394.db2.gz ZMNWQZKNDZCTJX-UHFFFAOYSA-N 0 3 309.413 2.346 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1CCC ZINC001032491444 689166015 /nfs/dbraw/zinc/16/60/15/689166015.db2.gz VKMFKPKLUDNCBC-KBPBESRZSA-N 0 3 302.422 2.227 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)nn1C ZINC001032517747 689173881 /nfs/dbraw/zinc/17/38/81/689173881.db2.gz GFPIVVRYMJEQDD-RYUDHWBXSA-N 0 3 324.375 2.223 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CN(C)C ZINC001032592100 689195985 /nfs/dbraw/zinc/19/59/85/689195985.db2.gz GPQUFRJZGMCMJB-HOTGVXAUSA-N 0 3 317.433 2.206 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H]2CCOC2)CC1 ZINC001032607475 689199771 /nfs/dbraw/zinc/19/97/71/689199771.db2.gz UVVUUYFOSPCEPK-PVAVHDDUSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OCC)c1 ZINC001032617029 689203046 /nfs/dbraw/zinc/20/30/46/689203046.db2.gz IKGBNZLCEBCLRO-HOTGVXAUSA-N 0 3 315.417 2.345 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1-n1cccn1 ZINC001032648742 689212618 /nfs/dbraw/zinc/21/26/18/689212618.db2.gz MDRGEDHMAJVMIV-HOTGVXAUSA-N 0 3 322.412 2.347 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC)cc1 ZINC001032670339 689219589 /nfs/dbraw/zinc/21/95/89/689219589.db2.gz VBDITMLOZATLLE-IRXDYDNUSA-N 0 3 312.413 2.397 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnccc1N(C)C ZINC001032736427 689241444 /nfs/dbraw/zinc/24/14/44/689241444.db2.gz QAFIHCOQKOJDAK-GJZGRUSLSA-N 0 3 314.433 2.013 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)N(C)CC2 ZINC001032758816 689249767 /nfs/dbraw/zinc/24/97/67/689249767.db2.gz KFZRGASFCJYYDN-IRXDYDNUSA-N 0 3 311.429 2.154 20 30 DEEDHN C=CCN(C[C@H](O)COc1ccc2cc[nH]c2c1)[C@@H](C)COC ZINC000930933225 694278282 /nfs/dbraw/zinc/27/82/82/694278282.db2.gz TUQMLDSFMZRJMW-HOCLYGCPSA-N 0 3 318.417 2.431 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cc(C3CC3)no2)C1 ZINC001033135485 689401210 /nfs/dbraw/zinc/40/12/10/689401210.db2.gz MPXCXRKLOQJEGZ-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2nc3cccnc3s2)C1 ZINC001033145696 689403779 /nfs/dbraw/zinc/40/37/79/689403779.db2.gz OJMPIDFKRJWASZ-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001033269210 689445117 /nfs/dbraw/zinc/44/51/17/689445117.db2.gz PGQOCEBKFPOYQE-FUHWJXTLSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001033290629 689450613 /nfs/dbraw/zinc/45/06/13/689450613.db2.gz VRFXZBGJLDJNSB-OAHLLOKOSA-N 0 3 320.383 2.372 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001033313477 689458125 /nfs/dbraw/zinc/45/81/25/689458125.db2.gz SSLLEBVSBPAZDQ-CQSZACIVSA-N 0 3 303.406 2.126 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cncc(OC(C)C)c2)C1 ZINC001033325933 689462286 /nfs/dbraw/zinc/46/22/86/689462286.db2.gz AGDSCDQDMPBJKB-MRXNPFEDSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033353046 689474347 /nfs/dbraw/zinc/47/43/47/689474347.db2.gz DALYRHGFLBZRBL-IRXDYDNUSA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033391411 689485833 /nfs/dbraw/zinc/48/58/33/689485833.db2.gz RLYDUCCCPJQAHJ-INIZCTEOSA-N 0 3 304.821 2.439 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033485067 689518622 /nfs/dbraw/zinc/51/86/22/689518622.db2.gz WOLYWYPDKILAQC-GFCCVEGCSA-N 0 3 310.850 2.500 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccccc2COC)C1 ZINC001033499379 689521964 /nfs/dbraw/zinc/52/19/64/689521964.db2.gz JEMVECWNHOXZHX-GOSISDBHSA-N 0 3 316.445 2.484 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001033554754 689541008 /nfs/dbraw/zinc/54/10/08/689541008.db2.gz POKXJICSTMJBBT-QGZVFWFLSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2OC)C1 ZINC001033600069 689555777 /nfs/dbraw/zinc/55/57/77/689555777.db2.gz XTRDGKVZQPSHSY-OAHLLOKOSA-N 0 3 300.402 2.173 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC001033686501 689584534 /nfs/dbraw/zinc/58/45/34/689584534.db2.gz PPDUVZZDDRNJSW-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nc(C)sc2C)C1 ZINC001033870336 689645407 /nfs/dbraw/zinc/64/54/07/689645407.db2.gz HHTRGZLPSROIRC-CQSZACIVSA-N 0 3 305.447 2.320 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001033874114 689646522 /nfs/dbraw/zinc/64/65/22/689646522.db2.gz VEOGHRWHYMEOQC-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN([C@H](C)COC)C2)cc1 ZINC001033921495 689661928 /nfs/dbraw/zinc/66/19/28/689661928.db2.gz BGOBOHJYUQNAKQ-CRAIPNDOSA-N 0 3 314.429 2.239 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(C[C@@H](C)OC)C2)cc1 ZINC001033922908 689662784 /nfs/dbraw/zinc/66/27/84/689662784.db2.gz NFYHELLFINRWQT-QAPCUYQASA-N 0 3 314.429 2.239 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034037467 689702651 /nfs/dbraw/zinc/70/26/51/689702651.db2.gz JHNMIVXTZDMWQY-AWEZNQCLSA-N 0 3 313.405 2.070 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c[nH]c3ncccc23)C1 ZINC001034046546 689705240 /nfs/dbraw/zinc/70/52/40/689705240.db2.gz XWDACUYDJBXQIU-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CC[C@H](CCOC)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000875917420 689717150 /nfs/dbraw/zinc/71/71/50/689717150.db2.gz CUNGKEYBJMDWAT-MRXNPFEDSA-N 0 3 321.465 2.075 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001034249646 689781280 /nfs/dbraw/zinc/78/12/80/689781280.db2.gz MGGKVGPTDJGDBR-JKSUJKDBSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034260831 689785271 /nfs/dbraw/zinc/78/52/71/689785271.db2.gz OPOJJKYXKVAJBQ-MRXNPFEDSA-N 0 3 318.465 2.473 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001034269109 689788001 /nfs/dbraw/zinc/78/80/01/689788001.db2.gz UBZRVQOBNKSFCQ-MRXNPFEDSA-N 0 3 310.401 2.122 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001034309083 689804795 /nfs/dbraw/zinc/80/47/95/689804795.db2.gz HJJHRXIIXSIXIJ-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001034317297 689807459 /nfs/dbraw/zinc/80/74/59/689807459.db2.gz LEZYFHOUDBPNGI-INIZCTEOSA-N 0 3 317.433 2.180 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001034318508 689808614 /nfs/dbraw/zinc/80/86/14/689808614.db2.gz YJZMIXMHVQYALH-ZACQAIPSSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001034423842 689844726 /nfs/dbraw/zinc/84/47/26/689844726.db2.gz MEODOUXESFAKMC-WBVHZDCISA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001034425577 689844790 /nfs/dbraw/zinc/84/47/90/689844790.db2.gz VTRDVQMHRQLFAH-INIZCTEOSA-N 0 3 300.402 2.392 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2csc3cncn32)C1 ZINC001034428788 689846800 /nfs/dbraw/zinc/84/68/00/689846800.db2.gz OXZHXYMWCFBILB-ZDUSSCGKSA-N 0 3 316.430 2.003 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001034428755 689847140 /nfs/dbraw/zinc/84/71/40/689847140.db2.gz NZOSHIMQKPGAPZ-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001034446460 689852668 /nfs/dbraw/zinc/85/26/68/689852668.db2.gz QMZFLWCYBBRAGP-MRXNPFEDSA-N 0 3 312.417 2.193 20 30 DEEDHN C=CCCN1CCCC[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001034452734 689854932 /nfs/dbraw/zinc/85/49/32/689854932.db2.gz PWDDTLHXXHANHF-LBPRGKRZSA-N 0 3 321.446 2.007 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000876555988 689855415 /nfs/dbraw/zinc/85/54/15/689855415.db2.gz IUKJCKLMXGRSNS-ZDUSSCGKSA-N 0 3 323.824 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1N1CCCC1=O ZINC000876566075 689859041 /nfs/dbraw/zinc/85/90/41/689859041.db2.gz XMQMTGCABIFBBT-NSHDSACASA-N 0 3 307.781 2.222 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(OC)n2)C1 ZINC001034474620 689864223 /nfs/dbraw/zinc/86/42/23/689864223.db2.gz MAEHVOBKDCJGIE-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000876581311 689864787 /nfs/dbraw/zinc/86/47/87/689864787.db2.gz GTFKTCTZTZZWEB-CYBMUJFWSA-N 0 3 307.781 2.444 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000876601100 689872300 /nfs/dbraw/zinc/87/23/00/689872300.db2.gz REMBSVWQTUVXIH-GWCFXTLKSA-N 0 3 321.808 2.218 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000876610808 689875384 /nfs/dbraw/zinc/87/53/84/689875384.db2.gz JFSPVABHQXJVRZ-GXFFZTMASA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000876612548 689876320 /nfs/dbraw/zinc/87/63/20/689876320.db2.gz PGVMOAPHYHJBJW-GFCCVEGCSA-N 0 3 311.769 2.298 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000876627814 689881564 /nfs/dbraw/zinc/88/15/64/689881564.db2.gz DEOVWRWTNPVNNT-SOUVJXGZSA-N 0 3 308.809 2.493 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(F)c(COC)c1 ZINC000876649339 689889289 /nfs/dbraw/zinc/88/92/89/689889289.db2.gz 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C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001379635691 1152659953 /nfs/dbraw/zinc/65/99/53/1152659953.db2.gz BJLFLUBMPITIAQ-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H]2CC2(C)C)C1 ZINC001381326173 1153005684 /nfs/dbraw/zinc/00/56/84/1153005684.db2.gz RBRNRZCUGWXESW-MCIGGMRASA-N 0 3 315.255 2.426 20 30 DEEDHN Cc1cnoc1C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001381440148 1153061811 /nfs/dbraw/zinc/06/18/11/1153061811.db2.gz UAMQOOGTHXUSIY-MNOVXSKESA-N 0 3 318.402 2.213 20 30 DEEDHN Cc1cnoc1C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001381440131 1153061959 /nfs/dbraw/zinc/06/19/59/1153061959.db2.gz UAMQOOGTHXUSIY-GHMZBOCLSA-N 0 3 318.402 2.213 20 30 DEEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC001362923069 1153144283 /nfs/dbraw/zinc/14/42/83/1153144283.db2.gz CMBWVCVFYIWAQC-NUEKZKHPSA-N 0 3 314.385 2.169 20 30 DEEDHN N#Cc1ncc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1C#N ZINC001363134214 1153238284 /nfs/dbraw/zinc/23/82/84/1153238284.db2.gz RWUYUYORADDARY-OAHLLOKOSA-N 0 3 318.384 2.296 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001382052126 1153333535 /nfs/dbraw/zinc/33/35/35/1153333535.db2.gz SWUXMRKQGPYHIH-WBMJQRKESA-N 0 3 321.396 2.059 20 30 DEEDHN CCN1C[C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C(C)(C)C1 ZINC001363652917 1153528898 /nfs/dbraw/zinc/52/88/98/1153528898.db2.gz MFMBJBVEVKIRFB-CJNGLKHVSA-N 0 3 315.417 2.172 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2cccc(OC)c2)C1 ZINC001388741917 1155078619 /nfs/dbraw/zinc/07/86/19/1155078619.db2.gz WVLBJCLDICYGOU-SHTZXODSSA-N 0 3 322.836 2.475 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001403070262 1162688253 /nfs/dbraw/zinc/68/82/53/1162688253.db2.gz SJVBYRMPGCZJPM-UHFFFAOYSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCOC[C@H]1C ZINC001403076620 1162691421 /nfs/dbraw/zinc/69/14/21/1162691421.db2.gz DNGIZZXIBIJICX-OCCSQVGLSA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccncn1 ZINC001389343347 1155315089 /nfs/dbraw/zinc/31/50/89/1155315089.db2.gz JACGTQDJSLSQAH-JSGCOSHPSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2CC[C@@H](C)O2)C1 ZINC001390041351 1155507917 /nfs/dbraw/zinc/50/79/17/1155507917.db2.gz VRHXTJXTWOSERD-MQYQWHSLSA-N 0 3 300.830 2.323 20 30 DEEDHN C[C@H](CNC(=O)c1ccn(C)c1)N(C)Cc1cccc(C#N)c1 ZINC001403104665 1162719595 /nfs/dbraw/zinc/71/95/95/1162719595.db2.gz NXHLLJZGYKMKDK-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN C[C@H](CNC(=O)c1ccccc1[O-])[NH2+]Cc1ccc(C#N)cc1 ZINC001371111675 1155714076 /nfs/dbraw/zinc/71/40/76/1155714076.db2.gz DXONBWHRZVQGIH-CYBMUJFWSA-N 0 3 309.369 2.172 20 30 DEEDHN C[C@H](CNC(=O)c1cccn1C)N(C)Cc1ccc(C#N)cc1 ZINC001403111134 1162731157 /nfs/dbraw/zinc/73/11/57/1162731157.db2.gz YJWURJVZLOGXQQ-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1cscn1 ZINC001390738868 1155856326 /nfs/dbraw/zinc/85/63/26/1155856326.db2.gz YMEFPHUDYLNITA-LLVKDONJSA-N 0 3 301.843 2.313 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001372597988 1156588404 /nfs/dbraw/zinc/58/84/04/1156588404.db2.gz SHECVOOSJVHQBR-STQMWFEESA-N 0 3 305.809 2.438 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001391787617 1156803160 /nfs/dbraw/zinc/80/31/60/1156803160.db2.gz NZRKNPPFCOVACA-UKRRQHHQSA-N 0 3 300.830 2.183 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1CC(C)C1 ZINC001392550175 1157118504 /nfs/dbraw/zinc/11/85/04/1157118504.db2.gz LTSCRYMPBLHVLH-AVERBVTBSA-N 0 3 303.381 2.338 20 30 DEEDHN Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2cccc(C#N)c2)n1C ZINC001392626924 1157235917 /nfs/dbraw/zinc/23/59/17/1157235917.db2.gz CRBZPWFDGFYYPU-CQSZACIVSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(Br)CNC[C@@](C)(NC(=O)[C@H]1C[C@@H]1C)C1CC1 ZINC001373886762 1157432600 /nfs/dbraw/zinc/43/26/00/1157432600.db2.gz IXMZNDQXTDCCGP-DUFXMDAXSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H](C)CSC ZINC001403350387 1162859328 /nfs/dbraw/zinc/85/93/28/1162859328.db2.gz PVIRMPXCPMQVID-ONGXEEELSA-N 0 3 323.300 2.379 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001373880630 1157430462 /nfs/dbraw/zinc/43/04/62/1157430462.db2.gz YVRLDEYZUOTWMC-GTNSWQLSSA-N 0 3 321.371 2.499 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCC2CCN(C/C=C\Cl)CC2)c1 ZINC001373938237 1157481884 /nfs/dbraw/zinc/48/18/84/1157481884.db2.gz MRQMQQDDCSYKEQ-KTAJNNJTSA-N 0 3 320.824 2.471 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)[C@H](C)C#N)CC2)cc1Cl ZINC001392887717 1157514311 /nfs/dbraw/zinc/51/43/11/1157514311.db2.gz BACXHQGMHQDXOT-LLVKDONJSA-N 0 3 321.808 2.247 20 30 DEEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)COC)CC1 ZINC001392970386 1157574381 /nfs/dbraw/zinc/57/43/81/1157574381.db2.gz VEASFKYZQXMFLD-UHFFFAOYSA-N 0 3 300.830 2.088 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001393150505 1157723384 /nfs/dbraw/zinc/72/33/84/1157723384.db2.gz ULTGFIOYSYXCCD-WKEVBRLXSA-N 0 3 304.221 2.293 20 30 DEEDHN CC(=O)CCCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001374728616 1157986077 /nfs/dbraw/zinc/98/60/77/1157986077.db2.gz URDKBHDHYCALBQ-GFCCVEGCSA-N 0 3 319.380 2.051 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)Cc1ccccc1 ZINC001374776488 1158018040 /nfs/dbraw/zinc/01/80/40/1158018040.db2.gz ZRLLVZAXVZTKEM-CYBMUJFWSA-N 0 3 313.426 2.457 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CCCF ZINC001393979839 1158128906 /nfs/dbraw/zinc/12/89/06/1158128906.db2.gz VDZCNUFEHMQRPH-NEPJUHHUSA-N 0 3 309.360 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(CCCc2ccsc2)C1 ZINC001394221329 1158381347 /nfs/dbraw/zinc/38/13/47/1158381347.db2.gz SUCULWRTJCTLKK-OLZOCXBDSA-N 0 3 305.447 2.277 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001375507098 1158784308 /nfs/dbraw/zinc/78/43/08/1158784308.db2.gz XAUAEMSJSSLQOX-SOUVJXGZSA-N 0 3 324.856 2.380 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](CNC(=O)CCCF)C2)c(F)c1 ZINC001375541962 1158808039 /nfs/dbraw/zinc/80/80/39/1158808039.db2.gz LWHCUXUGAKVIRQ-CTYIDZIISA-N 0 3 321.371 2.431 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2ccn(CC)n2)C1 ZINC001375568166 1158816001 /nfs/dbraw/zinc/81/60/01/1158816001.db2.gz NAKDZAUOTORNBE-UONOGXRCSA-N 0 3 324.856 2.073 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001376355536 1159355974 /nfs/dbraw/zinc/35/59/74/1159355974.db2.gz CNZLQYSZNGBFMY-DRZSPHRISA-N 0 3 304.394 2.003 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001376623915 1159610049 /nfs/dbraw/zinc/61/00/49/1159610049.db2.gz MCNVFOPXXNHVPN-RQMZHTQNSA-N 0 3 301.365 2.093 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(F)cn1)NCc1ccc(C#N)s1 ZINC001376718409 1159720667 /nfs/dbraw/zinc/72/06/67/1159720667.db2.gz VJIGIZAMMCWCQO-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(F)cn1)NCc1ccc(C#N)s1 ZINC001376718404 1159720958 /nfs/dbraw/zinc/72/09/58/1159720958.db2.gz VJIGIZAMMCWCQO-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1COc2ccccc2C1 ZINC001377048696 1159885112 /nfs/dbraw/zinc/88/51/12/1159885112.db2.gz PZONDSAEKGIUDG-UKRRQHHQSA-N 0 3 322.836 2.475 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)C2CC2)CCOCC1 ZINC001377184552 1160018603 /nfs/dbraw/zinc/01/86/03/1160018603.db2.gz MRJWRZSZMCXREC-GFCCVEGCSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2cccc(F)c2F)C1 ZINC001397560988 1160329618 /nfs/dbraw/zinc/32/96/18/1160329618.db2.gz FQANIDDHGNXLOS-GMXVVIOVSA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnc(C)n1C ZINC001377963278 1160884751 /nfs/dbraw/zinc/88/47/51/1160884751.db2.gz IDMOBEAGHFSJLL-UHFFFAOYSA-N 0 3 312.845 2.169 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378115312 1161030939 /nfs/dbraw/zinc/03/09/39/1161030939.db2.gz NKTXMOOQHDRPLV-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1)C1CC1 ZINC001398899993 1161143323 /nfs/dbraw/zinc/14/33/23/1161143323.db2.gz ZNLPLSOSMQYWRT-NWDGAFQWSA-N 0 3 303.381 2.338 20 30 DEEDHN C=C(Cl)CN[C@H](CC)CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001400822145 1161828825 /nfs/dbraw/zinc/82/88/25/1161828825.db2.gz FQASROGDBAGZEH-CYBMUJFWSA-N 0 3 312.845 2.164 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@@H]2CCOC2)CCCC1 ZINC001400920323 1161846294 /nfs/dbraw/zinc/84/62/94/1161846294.db2.gz XTRCEFBOLNEYKN-ZDUSSCGKSA-N 0 3 300.830 2.184 20 30 DEEDHN Cc1ncc(CN2CCC(CCNC(=O)[C@@H](C)C#N)CC2)s1 ZINC001401072093 1161867383 /nfs/dbraw/zinc/86/73/83/1161867383.db2.gz JCGOZLOKPWAGTE-LBPRGKRZSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(Cl)n(C)n1)C(C)C ZINC001401335529 1161936240 /nfs/dbraw/zinc/93/62/40/1161936240.db2.gz PPHWNPVAGBSBFF-LLVKDONJSA-N 0 3 319.236 2.170 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccco1 ZINC001401599377 1162041308 /nfs/dbraw/zinc/04/13/08/1162041308.db2.gz PJICBMHJNVYLNG-LLVKDONJSA-N 0 3 301.321 2.198 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001401738423 1162101472 /nfs/dbraw/zinc/10/14/72/1162101472.db2.gz VJEHIXZQZYAQFF-ZIAGYGMSSA-N 0 3 319.474 2.494 20 30 DEEDHN COc1cccc(CN2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001402080936 1162239258 /nfs/dbraw/zinc/23/92/58/1162239258.db2.gz SRMQIWXAJFFJRQ-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](OC)C1CCC1)C1CC1 ZINC001405482337 1164113010 /nfs/dbraw/zinc/11/30/10/1164113010.db2.gz UAKSLLBDDPACSG-GOEBONIOSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cn(C)cn2)CCCC[C@H]1C ZINC001405488149 1164116008 /nfs/dbraw/zinc/11/60/08/1164116008.db2.gz NOGWPSUFEOICPC-MLGOLLRUSA-N 0 3 324.856 2.441 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001407935277 1165401042 /nfs/dbraw/zinc/40/10/42/1165401042.db2.gz MQTOOOYCAJUXSV-LBPRGKRZSA-N 0 3 312.845 2.121 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@@H](C)C2)CCOCC1 ZINC001408047018 1165447162 /nfs/dbraw/zinc/44/71/62/1165447162.db2.gz QCIDKTZJRZMNMY-TZMCWYRMSA-N 0 3 314.857 2.430 20 30 DEEDHN Cc1cccnc1CN1CC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001408107414 1165480265 /nfs/dbraw/zinc/48/02/65/1165480265.db2.gz QWZMSOATLBGPJD-ZBFHGGJFSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001417899693 1167291987 /nfs/dbraw/zinc/29/19/87/1167291987.db2.gz PYWOEXYXFOIMOB-OCCSQVGLSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001417900792 1167293478 /nfs/dbraw/zinc/29/34/78/1167293478.db2.gz PDUJKFRSARRFOA-OCCSQVGLSA-N 0 3 310.829 2.145 20 30 DEEDHN C[C@H](CNC(=O)C1(F)CCCC1)NCc1ccc(C#N)s1 ZINC001418250010 1167517745 /nfs/dbraw/zinc/51/77/45/1167517745.db2.gz LBZDPJZKAGBMTR-LLVKDONJSA-N 0 3 309.410 2.496 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ocnc1C(F)F ZINC001418416076 1167638326 /nfs/dbraw/zinc/63/83/26/1167638326.db2.gz IYFJAGIPIVOZRH-MRVPVSSYSA-N 0 3 307.728 2.463 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN[C@H]1CCc2c1cc(F)cc2F ZINC001418818735 1167985697 /nfs/dbraw/zinc/98/56/97/1167985697.db2.gz WDLSJGYLHMOMEX-BMIGLBTASA-N 0 3 307.344 2.160 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001419445500 1168490152 /nfs/dbraw/zinc/49/01/52/1168490152.db2.gz IXDHPSLVDKVWQM-ZSGPHXLJSA-N 0 3 311.429 2.446 20 30 DEEDHN CC[C@H](C)OCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001419656877 1168764116 /nfs/dbraw/zinc/76/41/16/1168764116.db2.gz KKJSXMXWDJJETJ-OLZOCXBDSA-N 0 3 323.462 2.371 20 30 DEEDHN CC[C@H](SC)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001419729507 1168823881 /nfs/dbraw/zinc/82/38/81/1168823881.db2.gz NJJZFIAXRDSFON-ABAIWWIYSA-N 0 3 323.437 2.433 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2ncc(C#N)cc2Cl)C(C)(C)C1 ZINC001420061541 1169125152 /nfs/dbraw/zinc/12/51/52/1169125152.db2.gz ZAAZIILGSYWWDW-GFCCVEGCSA-N 0 3 306.797 2.067 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)COc1ccsc1 ZINC001420137870 1169191474 /nfs/dbraw/zinc/19/14/74/1169191474.db2.gz GOJLZMKTDLXSES-LLVKDONJSA-N 0 3 302.827 2.364 20 30 DEEDHN CCN(CCNC(=O)c1ccccn1)Cc1ccc(C#N)cc1 ZINC001420363114 1169402008 /nfs/dbraw/zinc/40/20/08/1169402008.db2.gz VXXMPKXVOCLXPZ-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCOc1ccccc1Cl ZINC001420366511 1169409410 /nfs/dbraw/zinc/40/94/10/1169409410.db2.gz AJIHPYVVDDCTAI-CYBMUJFWSA-N 0 3 323.824 2.317 20 30 DEEDHN CCN(CCNC(=O)[C@H]1C[C@H]1C)Cc1ccc(OCC#N)cc1 ZINC001420366736 1169411337 /nfs/dbraw/zinc/41/13/37/1169411337.db2.gz NDTNMQSDOQUJCK-PBHICJAKSA-N 0 3 315.417 2.183 20 30 DEEDHN CSC[C@@H](C)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001420922187 1171350509 /nfs/dbraw/zinc/35/05/09/1171350509.db2.gz OXZNPLXLCDBLBK-CYBMUJFWSA-N 0 3 317.458 2.296 20 30 DEEDHN Cc1cccnc1CN1CCC[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001421285206 1171674163 /nfs/dbraw/zinc/67/41/63/1171674163.db2.gz WLFODLRDAZYIRN-QAPCUYQASA-N 0 3 314.433 2.268 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)SC)NCc1ccc(C#N)c(F)c1 ZINC001421389021 1171765317 /nfs/dbraw/zinc/76/53/17/1171765317.db2.gz DDFVZBIPNYRYQA-SMDDNHRTSA-N 0 3 323.437 2.433 20 30 DEEDHN CC(C)C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H](C)C#N ZINC001422005554 1172224730 /nfs/dbraw/zinc/22/47/30/1172224730.db2.gz KUDZSVYXXDIZNX-QWHCGFSZSA-N 0 3 318.446 2.400 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001422051136 1172257010 /nfs/dbraw/zinc/25/70/10/1172257010.db2.gz ZIVJVRWEYNEYLM-LRDDRELGSA-N 0 3 321.371 2.384 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnc2ccccn21)C(C)C ZINC001422092898 1172298441 /nfs/dbraw/zinc/29/84/41/1172298441.db2.gz BYULUJVPHQNLDG-ZDUSSCGKSA-N 0 3 320.824 2.431 20 30 DEEDHN Cc1conc1C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001422389541 1172544736 /nfs/dbraw/zinc/54/47/36/1172544736.db2.gz BUWLAEXATIMTBX-MNOVXSKESA-N 0 3 318.402 2.213 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001422440108 1172593447 /nfs/dbraw/zinc/59/34/47/1172593447.db2.gz BEHJCVNIOVBXQD-UHFFFAOYSA-N 0 3 324.856 2.339 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)COC(C)C)C[C@H]2C1 ZINC001422864761 1172889170 /nfs/dbraw/zinc/88/91/70/1172889170.db2.gz BAEHUILEICFJHZ-SOUVJXGZSA-N 0 3 314.857 2.381 20 30 DEEDHN CO[C@@H](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001423054486 1173047026 /nfs/dbraw/zinc/04/70/26/1173047026.db2.gz HUGQGFZZKQQJQU-OLZOCXBDSA-N 0 3 323.462 2.371 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2(NCc3ccc(F)cc3)CC2)[nH]1 ZINC001423195867 1173161003 /nfs/dbraw/zinc/16/10/03/1173161003.db2.gz JITZNNZLRLKIFI-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN Cc1cccnc1CN1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001423511125 1173380519 /nfs/dbraw/zinc/38/05/19/1173380519.db2.gz ZFYRJLUGFLMZQW-AWEZNQCLSA-N 0 3 300.406 2.020 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](OC)C2CCC2)C1 ZINC001423684832 1173489007 /nfs/dbraw/zinc/48/90/07/1173489007.db2.gz VVWJMTMQZKXAAU-JXQTWKCFSA-N 0 3 300.830 2.133 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(CCC(F)(F)F)C1 ZINC001423681206 1173487124 /nfs/dbraw/zinc/48/71/24/1173487124.db2.gz JXXUQQSRMXEWRM-DGCLKSJQSA-N 0 3 305.344 2.317 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3cnco3)CCC2)s1 ZINC001424199324 1173695935 /nfs/dbraw/zinc/69/59/35/1173695935.db2.gz 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/nfs/dbraw/zinc/80/03/13/1179800313.db2.gz XXIGILSIKWYMRF-CYBMUJFWSA-N 0 3 310.825 2.475 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)C1(C)CC1 ZINC001438491277 1180491171 /nfs/dbraw/zinc/49/11/71/1180491171.db2.gz IDGXEJAMRNWXOQ-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2nccc(C)n2)CCCC1 ZINC001438589311 1180634160 /nfs/dbraw/zinc/63/41/60/1180634160.db2.gz XIVDDJZOEWFVGT-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2cn[nH]c2)CCCC1 ZINC001438612197 1180664457 /nfs/dbraw/zinc/66/44/57/1180664457.db2.gz XCGMAABDKOLJTN-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@@H](C)SC)C(C)C ZINC001438789204 1180813626 /nfs/dbraw/zinc/81/36/26/1180813626.db2.gz KROWXGQIZKBHRB-GHMZBOCLSA-N 0 3 323.300 2.377 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)Cc1ccccc1 ZINC001439225110 1180949300 /nfs/dbraw/zinc/94/93/00/1180949300.db2.gz ZRLLVZAXVZTKEM-ZDUSSCGKSA-N 0 3 313.426 2.457 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]1(C)CCN(CCOC2CCCCCC2)C1 ZINC001439837760 1181261548 /nfs/dbraw/zinc/26/15/48/1181261548.db2.gz RWUDXDOURCCIJN-QAPCUYQASA-N 0 3 321.465 2.466 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCCn2ccnc2C)CCC1 ZINC001440346126 1181458519 /nfs/dbraw/zinc/45/85/19/1181458519.db2.gz VARLNCZWSNWACC-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN CCCN1CCC(NC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC001440638367 1181621488 /nfs/dbraw/zinc/62/14/88/1181621488.db2.gz VTSUDNBHJZLYNQ-VMPITWQZSA-N 0 3 318.392 2.399 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](NCc1ccccc1Cl)C1CC1 ZINC001441179494 1181885741 /nfs/dbraw/zinc/88/57/41/1181885741.db2.gz WGMJMMVZXNGDEN-IAQYHMDHSA-N 0 3 305.809 2.484 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001441426131 1181988455 /nfs/dbraw/zinc/98/84/55/1181988455.db2.gz WAWBFQDBOBLXAO-SRVKXCTJSA-N 0 3 303.244 2.424 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001441500365 1182025908 /nfs/dbraw/zinc/02/59/08/1182025908.db2.gz YESVMMQTVMJXNA-LZWOXQAQSA-N 0 3 321.371 2.428 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441511888 1182033481 /nfs/dbraw/zinc/03/34/81/1182033481.db2.gz MLOZCMDQLPBPJV-WBMJQRKESA-N 0 3 321.396 2.059 20 30 DEEDHN CC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001441794172 1182166341 /nfs/dbraw/zinc/16/63/41/1182166341.db2.gz WIILDJZFSYMGND-STQMWFEESA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001442239167 1182385320 /nfs/dbraw/zinc/38/53/20/1182385320.db2.gz OEVZLSPKLJUVGB-NDBYEHHHSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2cccnc2)C1 ZINC001442243989 1182388023 /nfs/dbraw/zinc/38/80/23/1182388023.db2.gz RRXGCADBVDTLHZ-UHFFFAOYSA-N 0 3 307.825 2.346 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2c(c1)OCCO2 ZINC001442336738 1182425858 /nfs/dbraw/zinc/42/58/58/1182425858.db2.gz FQDDUHRVADFIAM-GFCCVEGCSA-N 0 3 324.808 2.308 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccccc1OC ZINC001442342446 1182427459 /nfs/dbraw/zinc/42/74/59/1182427459.db2.gz VKPVGHSMSQCEOT-CYBMUJFWSA-N 0 3 310.825 2.475 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)CCCF)C2)c1 ZINC001442894193 1182774636 /nfs/dbraw/zinc/77/46/36/1182774636.db2.gz ZEUUXKWGKWSXJG-INIZCTEOSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001444103909 1183287650 /nfs/dbraw/zinc/28/76/50/1183287650.db2.gz OQJWRKXJLUSXCM-HNNXBMFYSA-N 0 3 311.788 2.461 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(C)[nH]c2=O)CCCC1 ZINC001444523878 1183430668 /nfs/dbraw/zinc/43/06/68/1183430668.db2.gz KLKHLRYQSKNFQY-UHFFFAOYSA-N 0 3 323.824 2.480 20 30 DEEDHN CN(CCF)CCC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001444826858 1183577515 /nfs/dbraw/zinc/57/75/15/1183577515.db2.gz ZYGQTVASHZGNHG-UHFFFAOYSA-N 0 3 306.385 2.030 20 30 DEEDHN CCc1ncoc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001445606739 1183931027 /nfs/dbraw/zinc/93/10/27/1183931027.db2.gz LHOCIMFDJPAYMI-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)c(C)o1 ZINC001445626562 1183942957 /nfs/dbraw/zinc/94/29/57/1183942957.db2.gz UGQFRWHYMDXNCH-VIFPVBQESA-N 0 3 318.402 2.133 20 30 DEEDHN Cc1ccc(CN(C)C[C@H](C)NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001445692684 1183985773 /nfs/dbraw/zinc/98/57/73/1183985773.db2.gz QIGSPUYUUNNUSI-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)CCC(F)F)CC2)cc1 ZINC001446229315 1184276628 /nfs/dbraw/zinc/27/66/28/1184276628.db2.gz XDUNBVFETAMKMM-UHFFFAOYSA-N 0 3 307.344 2.342 20 30 DEEDHN C=C(Cl)CN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C)C1 ZINC001446667395 1184486435 /nfs/dbraw/zinc/48/64/35/1184486435.db2.gz SHZHRZIHZBLPNH-HOCLYGCPSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)C2=CCCC2)C1 ZINC001447788223 1184875178 /nfs/dbraw/zinc/87/51/78/1184875178.db2.gz NEYSSHAAGJHMAX-UHFFFAOYSA-N 0 3 313.239 2.490 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001447825782 1184884300 /nfs/dbraw/zinc/88/43/00/1184884300.db2.gz WJACTCPBJNVODK-UHFFFAOYSA-N 0 3 307.825 2.354 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NCc1ccsc1 ZINC001448647501 1185343639 /nfs/dbraw/zinc/34/36/39/1185343639.db2.gz HHJWZCCRCXZRGB-NSHDSACASA-N 0 3 302.403 2.198 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc(NC(C)=O)cc1 ZINC001448876517 1185444510 /nfs/dbraw/zinc/44/45/10/1185444510.db2.gz RXWKHXDQVQIFDI-UHFFFAOYSA-N 0 3 317.433 2.154 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1c[nH]c2ncccc12 ZINC001448879837 1185445639 /nfs/dbraw/zinc/44/56/39/1185445639.db2.gz AJBSZFBGMFUDMP-UHFFFAOYSA-N 0 3 300.406 2.072 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(NC(=O)[C@H](CC)N(C)C)CCC[C@H]12 ZINC001449005486 1185480622 /nfs/dbraw/zinc/48/06/22/1185480622.db2.gz FFTJXMRLAYFLHZ-DZKIICNBSA-N 0 3 313.873 2.192 20 30 DEEDHN N#CCc1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164733945 720412536 /nfs/dbraw/zinc/41/25/36/720412536.db2.gz QXNCCOGUPAXGDN-ROUUACIJSA-N 0 3 319.412 2.396 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC001072830007 790264404 /nfs/dbraw/zinc/26/44/04/790264404.db2.gz VLVRHFPERLSGIC-UHFFFAOYSA-N 0 3 303.406 2.440 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc4oc(C)nc4c3)C2)C1 ZINC001072842983 790269494 /nfs/dbraw/zinc/26/94/94/790269494.db2.gz LOCFUZMVWZCLMG-UHFFFAOYSA-N 0 3 311.385 2.470 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccncc3)C2)C1 ZINC001072848825 790271896 /nfs/dbraw/zinc/27/18/96/790271896.db2.gz LQRHDRHGPAMBLF-MRXNPFEDSA-N 0 3 311.429 2.133 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccccc3CC)C2)C1 ZINC001072847285 790272276 /nfs/dbraw/zinc/27/22/76/790272276.db2.gz AGHOAYOGBOOQJC-UHFFFAOYSA-N 0 3 310.441 2.349 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](O)C1 ZINC001083717918 782495267 /nfs/dbraw/zinc/49/52/67/782495267.db2.gz UOZSBKVYBKPXPT-SJORKVTESA-N 0 3 319.449 2.119 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C(C)C)nn3CC)C2)C1 ZINC001072894249 790291851 /nfs/dbraw/zinc/29/18/51/790291851.db2.gz HYPYXIIVHVAPBM-UHFFFAOYSA-N 0 3 316.449 2.360 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001333068063 1149982014 /nfs/dbraw/zinc/98/20/14/1149982014.db2.gz KMMSHVOCVOGLBF-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC(C)N(C)CC(=O)N[C@H](C)CCNc1cccc(F)c1C#N ZINC001106361482 782671097 /nfs/dbraw/zinc/67/10/97/782671097.db2.gz HERWNAJZIYOMTE-CYBMUJFWSA-N 0 3 320.412 2.344 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2ccsc2)cc1F ZINC001122953312 782773212 /nfs/dbraw/zinc/77/32/12/782773212.db2.gz NGHOPEJTEHZKKB-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001106563775 782783270 /nfs/dbraw/zinc/78/32/70/782783270.db2.gz KCTBRPRPGVCNLX-BFHYXJOUSA-N 0 3 322.478 2.325 20 30 DEEDHN CCN(CC)CC(=O)N(CC)CCNc1cccc(F)c1C#N ZINC001106775915 782929676 /nfs/dbraw/zinc/92/96/76/782929676.db2.gz LXWBZLCQIWGORB-UHFFFAOYSA-N 0 3 320.412 2.300 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001333432215 1150049416 /nfs/dbraw/zinc/04/94/16/1150049416.db2.gz MBRCQPLBCPVEHS-SJORKVTESA-N 0 3 306.450 2.229 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)CC(C)(C)C1 ZINC001089389282 783063796 /nfs/dbraw/zinc/06/37/96/783063796.db2.gz NJPVIJWHYGOEHC-BBWFWOEESA-N 0 3 318.461 2.208 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)CC(C)(C)C1 ZINC001089447287 783113731 /nfs/dbraw/zinc/11/37/31/783113731.db2.gz FQOSFDUWSUQDFT-XHSDSOJGSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccc3cccnc32)C[C@@H]1C ZINC000947405444 783127706 /nfs/dbraw/zinc/12/77/06/783127706.db2.gz ZRJFCVYAKAXXNO-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)C[C@H]1C ZINC000947437523 783136047 /nfs/dbraw/zinc/13/60/47/783136047.db2.gz RZAMGFJVPAFGPQ-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncoc2C(F)(F)F)C[C@@H]1C ZINC000947463372 783142235 /nfs/dbraw/zinc/14/22/35/783142235.db2.gz GHOCBOJTWOXWDK-VHSXEESVSA-N 0 3 317.311 2.462 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)C[C@H]1C ZINC000947468906 783144968 /nfs/dbraw/zinc/14/49/68/783144968.db2.gz RRNTXZZPOQEVTG-HUUCEWRRSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C[C@@H]1C ZINC000947538108 783164619 /nfs/dbraw/zinc/16/46/19/783164619.db2.gz VCLOXORSLKPLOX-BBRMVZONSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C[C@@H]1C ZINC000947540855 783165667 /nfs/dbraw/zinc/16/56/67/783165667.db2.gz ZKTHIUBGMLBFCC-YOEHRIQHSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)C[C@H]1C ZINC000947543324 783167419 /nfs/dbraw/zinc/16/74/19/783167419.db2.gz SGQYTDACYLKZGJ-CJNGLKHVSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnoc2CC)CC(C)(C)C1 ZINC001089504812 783169870 /nfs/dbraw/zinc/16/98/70/783169870.db2.gz CRGRDJFDNHHGBT-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccn(C(C)C)n2)CC(C)(C)C1 ZINC001089510647 783173520 /nfs/dbraw/zinc/17/35/20/783173520.db2.gz ZIBSOHWCWQEISV-OAHLLOKOSA-N 0 3 316.449 2.318 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C[C@@H]1C ZINC000947564765 783175671 /nfs/dbraw/zinc/17/56/71/783175671.db2.gz 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320.458 2.060 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1C(F)(F)F ZINC001112049766 778177119 /nfs/dbraw/zinc/17/71/19/778177119.db2.gz BFXZRWMFIIWDNN-CHWSQXEVSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1C(F)(F)F ZINC001112051697 778190972 /nfs/dbraw/zinc/19/09/72/778190972.db2.gz GMAZYIVTYMGKLX-GHMZBOCLSA-N 0 3 310.385 2.293 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1C ZINC001104877763 778227114 /nfs/dbraw/zinc/22/71/14/778227114.db2.gz VMLHWWJMUSCRLB-ZWNOBZJWSA-N 0 3 311.813 2.423 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1c1ccc(OC)cc1 ZINC001090863824 790620630 /nfs/dbraw/zinc/62/06/30/790620630.db2.gz XYYPEPGVSWNJHN-FHLIZLRMSA-N 0 3 314.429 2.259 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001125967036 778469543 /nfs/dbraw/zinc/46/95/43/778469543.db2.gz JJEGPCHCUHKJRJ-UHFFFAOYSA-N 0 3 306.381 2.234 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cocc1C)C[C@@H](C)O2 ZINC001098623665 778482894 /nfs/dbraw/zinc/48/28/94/778482894.db2.gz 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/nfs/dbraw/zinc/39/46/87/779394687.db2.gz RLEXRYYKUWVPQO-DLBZAZTESA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c3c2CCCC3)[C@H]1CC ZINC001087735564 779427816 /nfs/dbraw/zinc/42/78/16/779427816.db2.gz SDDKHZVYSGAAKB-LSDHHAIUSA-N 0 3 316.449 2.068 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc4cccnc4n3)[C@@H]2C1 ZINC001075821321 779480126 /nfs/dbraw/zinc/48/01/26/779480126.db2.gz OHUIMPVQYZXRHG-DOTOQJQBSA-N 0 3 322.412 2.352 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2C1 ZINC001087873701 779505859 /nfs/dbraw/zinc/50/58/59/779505859.db2.gz OLKJELBAJFPAPC-CVEARBPZSA-N 0 3 302.443 2.094 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001073540173 790718227 /nfs/dbraw/zinc/71/82/27/790718227.db2.gz ZROUZNHKVLFEFU-HNNXBMFYSA-N 0 3 318.417 2.179 20 30 DEEDHN C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001073540173 790718235 /nfs/dbraw/zinc/71/82/35/790718235.db2.gz ZROUZNHKVLFEFU-HNNXBMFYSA-N 0 3 318.417 2.179 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)C[C@@H]2C1 ZINC001088011106 779632408 /nfs/dbraw/zinc/63/24/08/779632408.db2.gz YOBYUQIZLGINNG-IXDOHACOSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc4c3O[C@@H](C)C4)C[C@@H]2C1 ZINC001088044936 779652558 /nfs/dbraw/zinc/65/25/58/779652558.db2.gz RGAVFPSXQYEQOP-UAGQMJEPSA-N 0 3 324.424 2.037 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1C(F)(F)F ZINC001112177109 779718599 /nfs/dbraw/zinc/71/85/99/779718599.db2.gz RWKBASSZZCGOGK-REWJHTLYSA-N 0 3 314.351 2.035 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](O)C(C)C)C1 ZINC001088307613 779932340 /nfs/dbraw/zinc/93/23/40/779932340.db2.gz ALELILZWXSTACO-UONOGXRCSA-N 0 3 302.846 2.117 20 30 DEEDHN O=C(C#CC1CC1)N1CCCCC[C@H](NCc2ccns2)C1 ZINC001088310669 779934971 /nfs/dbraw/zinc/93/49/71/779934971.db2.gz BBCCIKLHDAYBDJ-HNNXBMFYSA-N 0 3 317.458 2.417 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001090985786 790758349 /nfs/dbraw/zinc/75/83/49/790758349.db2.gz 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ZINC001088615093 780620649 /nfs/dbraw/zinc/62/06/49/780620649.db2.gz WLYASTSAEYJFGI-RISCZKNCSA-N 0 3 301.390 2.043 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)[C@H]1C ZINC001088628039 780665699 /nfs/dbraw/zinc/66/56/99/780665699.db2.gz VYTXSXKNNONUJI-QBIMZIAESA-N 0 3 314.429 2.490 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc4cccnc4c3)[C@@H]2C1 ZINC001075937403 780697352 /nfs/dbraw/zinc/69/73/52/780697352.db2.gz ORTRTOZPIIRSDM-PKOBYXMFSA-N 0 3 321.424 2.496 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccsc2COC)[C@H]1C ZINC001088663174 780698709 /nfs/dbraw/zinc/69/87/09/780698709.db2.gz VNIGKMSVWWIZII-OCCSQVGLSA-N 0 3 306.431 2.110 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)n([C@@H](C)CC)n2)[C@H]1C ZINC001088687329 780711333 /nfs/dbraw/zinc/71/13/33/780711333.db2.gz BDMQMDRMKKKMDB-IMJJTQAJSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H]1C ZINC001088698560 780848702 /nfs/dbraw/zinc/84/87/02/780848702.db2.gz XXZZDBWJASLWSE-OCCSQVGLSA-N 0 3 302.422 2.057 20 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C#CCCN1C[C@@H]2CCN(C(=O)c3cc4nc(C)ccc4o3)[C@@H]2C1 ZINC001076485516 781283347 /nfs/dbraw/zinc/28/33/47/781283347.db2.gz IGYAXOUFWYGFPE-GOEBONIOSA-N 0 3 323.396 2.306 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)n(C)c3C)[C@@H]2C1 ZINC001076549795 781310611 /nfs/dbraw/zinc/31/06/11/781310611.db2.gz BUYZKYOSPNYEJX-DOTOQJQBSA-N 0 3 301.434 2.364 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccncc2Cl)C1 ZINC001073788929 790872154 /nfs/dbraw/zinc/87/21/54/790872154.db2.gz VZIIJVADGBIRFU-CYBMUJFWSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001076666966 781342913 /nfs/dbraw/zinc/34/29/13/781342913.db2.gz DEQCXMKTGXOSTP-HNNXBMFYSA-N 0 3 323.481 2.106 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@H](F)C2)s1 ZINC001126959053 781462901 /nfs/dbraw/zinc/46/29/01/781462901.db2.gz FDBVZMMLLWSMNE-NEPJUHHUSA-N 0 3 309.410 2.354 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001077108588 781489547 /nfs/dbraw/zinc/48/95/47/781489547.db2.gz LGDIFLOLHZMPPQ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001077139737 781496394 /nfs/dbraw/zinc/49/63/94/781496394.db2.gz FJKXJFAEDPHWSF-HZPDHXFCSA-N 0 3 314.385 2.092 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001073866393 790924647 /nfs/dbraw/zinc/92/46/47/790924647.db2.gz YUWNEVLTAJVAEH-KZNAEPCWSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c(C)noc2Cl)C[C@H]1C ZINC000947806228 783235831 /nfs/dbraw/zinc/23/58/31/783235831.db2.gz PAXLNUAMMYNGQI-YPMHNXCESA-N 0 3 323.824 2.171 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@@H]1C ZINC000947857107 783249018 /nfs/dbraw/zinc/24/90/18/783249018.db2.gz GNIPZHKZHANFGA-BBRMVZONSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C[C@@H]1C ZINC000947895598 783262343 /nfs/dbraw/zinc/26/23/43/783262343.db2.gz PAEUSPCVINHEIK-ZFWWWQNUSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000947967403 783279614 /nfs/dbraw/zinc/27/96/14/783279614.db2.gz ONBSQIWJOJHGRJ-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OCC)cc2)C[C@H]1C ZINC000947986580 783285739 /nfs/dbraw/zinc/28/57/39/783285739.db2.gz YSGYWRPTDUBNDQ-ZBFHGGJFSA-N 0 3 300.402 2.301 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001089629550 783297608 /nfs/dbraw/zinc/29/76/08/783297608.db2.gz VAKXSDQFOOXKDK-AWEZNQCLSA-N 0 3 304.438 2.217 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC001089634164 783303587 /nfs/dbraw/zinc/30/35/87/783303587.db2.gz RARPHRGFMUNSQR-HWOWSKLDSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2nc(C)c(C)nc2C)C1 ZINC001091134214 790932131 /nfs/dbraw/zinc/93/21/31/790932131.db2.gz KZGDWUBRAMHZIP-UHFFFAOYSA-N 0 3 322.840 2.252 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001089705700 783366672 /nfs/dbraw/zinc/36/66/72/783366672.db2.gz IDFBRIHPHHTSAK-HNNXBMFYSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001089746039 783409271 /nfs/dbraw/zinc/40/92/71/783409271.db2.gz LPLRFHPOTZPYMO-YFKTTZPYSA-N 0 3 304.768 2.173 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccon1 ZINC001089779170 783429921 /nfs/dbraw/zinc/42/99/21/783429921.db2.gz PVLZSHJTDNTYDM-JLNYLFASSA-N 0 3 321.808 2.210 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H](OC)C1 ZINC001212344889 783484979 /nfs/dbraw/zinc/48/49/79/783484979.db2.gz QZVKAYZHERQDOQ-GDBMZVCRSA-N 0 3 317.389 2.156 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2nncc3ccccc32)CC1 ZINC000948608172 783525031 /nfs/dbraw/zinc/52/50/31/783525031.db2.gz LWYIBXXBANSRBN-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)cn3ccnc23)CC1 ZINC000948643206 783546555 /nfs/dbraw/zinc/54/65/55/783546555.db2.gz SIPXWVGWNNDDSM-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCNCc1cc(C)ccc1OC ZINC001124496082 783551326 /nfs/dbraw/zinc/55/13/26/783551326.db2.gz VPIJSCWGWSCAJC-HNNXBMFYSA-N 0 3 320.433 2.191 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000948665488 783556816 /nfs/dbraw/zinc/55/68/16/783556816.db2.gz LGQARLMLAVFZTR-MRXNPFEDSA-N 0 3 316.449 2.312 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)CC1 ZINC001066227166 783572732 /nfs/dbraw/zinc/57/27/32/783572732.db2.gz ZDCSJGHWSCEAIW-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC000966134679 783575381 /nfs/dbraw/zinc/57/53/81/783575381.db2.gz RKGXWIOSYLYRNL-GDBMZVCRSA-N 0 3 316.449 2.072 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc(C)o1 ZINC001085223914 783591037 /nfs/dbraw/zinc/59/10/37/783591037.db2.gz CRECQIHOCFBHNW-ZIAGYGMSSA-N 0 3 311.813 2.295 20 30 DEEDHN CC(=O)N1CCCC[C@@H]1CN(C)Cc1ccc(OCC#N)cc1 ZINC001073917485 790956754 /nfs/dbraw/zinc/95/67/54/790956754.db2.gz FQWDFKAAQAMBFO-QGZVFWFLSA-N 0 3 315.417 2.422 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC000966323289 783636121 /nfs/dbraw/zinc/63/61/21/783636121.db2.gz GMYOPIDEFDTXGT-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC000966563475 783696306 /nfs/dbraw/zinc/69/63/06/783696306.db2.gz LPEHFTATQSKTIZ-XJKSGUPXSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000966632460 783715419 /nfs/dbraw/zinc/71/54/19/783715419.db2.gz KSXXWFYGQNGUNI-DYVFJYSZSA-N 0 3 317.433 2.104 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966749734 783747367 /nfs/dbraw/zinc/74/73/67/783747367.db2.gz GEOUMWNIWCUFMP-ZYHUDNBSSA-N 0 3 310.829 2.252 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC000966814115 783767465 /nfs/dbraw/zinc/76/74/65/783767465.db2.gz PPHPDNDIGRVYHY-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2coc(OCC)n2)C1 ZINC000967257407 783912729 /nfs/dbraw/zinc/91/27/29/783912729.db2.gz MSFWOTRUZLVFLL-OLZOCXBDSA-N 0 3 307.394 2.090 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn2ccc(C)cc12 ZINC001085654512 783931399 /nfs/dbraw/zinc/93/13/99/783931399.db2.gz QTEOWPLVRHNBRM-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC000967291717 783937971 /nfs/dbraw/zinc/93/79/71/783937971.db2.gz NUBWCDZJPRAQAG-TZMCWYRMSA-N 0 3 321.371 2.483 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2ncn(C)c21 ZINC001085681413 783961535 /nfs/dbraw/zinc/96/15/35/783961535.db2.gz YQOAPFLPMCIBPY-AWEZNQCLSA-N 0 3 312.417 2.296 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085687231 783968767 /nfs/dbraw/zinc/96/87/67/783968767.db2.gz LCLIQBRNZYOZAU-AWEZNQCLSA-N 0 3 304.438 2.475 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1CCC ZINC001085693450 783980012 /nfs/dbraw/zinc/98/00/12/783980012.db2.gz HIFIUNRDVNYFTG-OAHLLOKOSA-N 0 3 318.465 2.485 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC000967414802 783989667 /nfs/dbraw/zinc/98/96/67/783989667.db2.gz NHYGXASJVVOQBW-DOTOQJQBSA-N 0 3 318.465 2.409 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc(C)n2ccccc12 ZINC001085722015 783999017 /nfs/dbraw/zinc/99/90/17/783999017.db2.gz MAFMBNPGJYQCEZ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085743274 784030456 /nfs/dbraw/zinc/03/04/56/784030456.db2.gz KDTSRZOQIOGQIB-OAHLLOKOSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC000967625404 784073784 /nfs/dbraw/zinc/07/37/84/784073784.db2.gz MEFFXRSVYWLOGT-XJKSGUPXSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(CC)ncnc1CC ZINC001085823678 784113664 /nfs/dbraw/zinc/11/36/64/784113664.db2.gz OUMUYLLHNUVKQH-AWEZNQCLSA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC001085836909 784118153 /nfs/dbraw/zinc/11/81/53/784118153.db2.gz WCCCMDFWDNTFAL-ZDUSSCGKSA-N 0 3 314.389 2.392 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nnn(C(C)C)c1C ZINC001085897081 784195466 /nfs/dbraw/zinc/19/54/66/784195466.db2.gz VXKLDARQQXXNPE-OAHLLOKOSA-N 0 3 319.453 2.280 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085903313 784198800 /nfs/dbraw/zinc/19/88/00/784198800.db2.gz BPVUOKFUXLLENR-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cncnc1CC ZINC001085977342 784275329 /nfs/dbraw/zinc/27/53/29/784275329.db2.gz SOEANTKGFOGJNO-AWEZNQCLSA-N 0 3 302.422 2.152 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000968321290 784286499 /nfs/dbraw/zinc/28/64/99/784286499.db2.gz ICIQGPVAQRSPPM-DOMZBBRYSA-N 0 3 303.406 2.112 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001085989713 784290440 /nfs/dbraw/zinc/29/04/40/784290440.db2.gz XGJHGJZUIJTVLO-CYBMUJFWSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001085997004 784295588 /nfs/dbraw/zinc/29/55/88/784295588.db2.gz FNMRLPWNYAYSEW-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1N(C)C ZINC001085999049 784302637 /nfs/dbraw/zinc/30/26/37/784302637.db2.gz XPRDMEDHVOSTEY-OAHLLOKOSA-N 0 3 301.434 2.475 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391696 784349822 /nfs/dbraw/zinc/34/98/22/784349822.db2.gz TYSRCPHIGHPJJG-BBRMVZONSA-N 0 3 304.459 2.449 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC000968423448 784377209 /nfs/dbraw/zinc/37/72/09/784377209.db2.gz SWZFZXFPUVCBCO-BXUZGUMPSA-N 0 3 323.824 2.029 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)CC1 ZINC001066377202 784382306 /nfs/dbraw/zinc/38/23/06/784382306.db2.gz VLHMIXIIDKALBU-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1cc(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)c[nH]1 ZINC000968448064 784390643 /nfs/dbraw/zinc/39/06/43/784390643.db2.gz XEMRCLBLGGUHKL-OAHLLOKOSA-N 0 3 312.348 2.030 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cn(C)nc2C2CC2)C1 ZINC001086098049 784407252 /nfs/dbraw/zinc/40/72/52/784407252.db2.gz JWLUNSPQKUQQDJ-BJHJDKERSA-N 0 3 322.840 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001086104676 784412327 /nfs/dbraw/zinc/41/23/27/784412327.db2.gz NQVNIHYHMJLFPS-LJISPDSOSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)nc(OC)c2)C1 ZINC001091202760 791023287 /nfs/dbraw/zinc/02/32/87/791023287.db2.gz HFUGSKBWHMZADN-UHFFFAOYSA-N 0 3 323.824 2.249 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517278 784440545 /nfs/dbraw/zinc/44/05/45/784440545.db2.gz KIMFATPGLTXFSO-KBXCAEBGSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC000968588031 784481650 /nfs/dbraw/zinc/48/16/50/784481650.db2.gz JQRZPRVGFFFWLS-MAUKXSAKSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2OC)C1 ZINC000968618283 784503905 /nfs/dbraw/zinc/50/39/05/784503905.db2.gz FCODBZKNSPRGFE-DOTOQJQBSA-N 0 3 314.429 2.088 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC000968619583 784505367 /nfs/dbraw/zinc/50/53/67/784505367.db2.gz NVHYUMRZNJBYJQ-DOMZBBRYSA-N 0 3 307.463 2.397 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000968624721 784508618 /nfs/dbraw/zinc/50/86/18/784508618.db2.gz YOGJPQLGSDVEQG-PBHICJAKSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC000968630924 784512188 /nfs/dbraw/zinc/51/21/88/784512188.db2.gz DATMGGVFGNIZFE-GDBMZVCRSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2csc(COC)n2)C1 ZINC000968694814 784542224 /nfs/dbraw/zinc/54/22/24/784542224.db2.gz AZVMVQNVJDZCER-CHWSQXEVSA-N 0 3 323.462 2.306 20 30 DEEDHN C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000968757685 784576130 /nfs/dbraw/zinc/57/61/30/784576130.db2.gz AZCZRPUMSQXJOD-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000968757685 784576134 /nfs/dbraw/zinc/57/61/34/784576134.db2.gz AZCZRPUMSQXJOD-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC000968874141 784631297 /nfs/dbraw/zinc/63/12/97/784631297.db2.gz IRBCAJHQAGILSU-AWEZNQCLSA-N 0 3 313.405 2.118 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccnn2C(F)F)C1 ZINC001086376582 784633591 /nfs/dbraw/zinc/63/35/91/784633591.db2.gz UCUFFXZGFSZDNU-MGCOHNPYSA-N 0 3 318.755 2.129 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCCCN1CC#N ZINC000969059147 784708465 /nfs/dbraw/zinc/70/84/65/784708465.db2.gz HCFFTMKIMXPPPF-IAGOWNOFSA-N 0 3 320.481 2.134 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC000969108878 784731987 /nfs/dbraw/zinc/73/19/87/784731987.db2.gz OOSDGJQOUIDIPO-KRWDZBQOSA-N 0 3 324.428 2.332 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001086444081 784738151 /nfs/dbraw/zinc/73/81/51/784738151.db2.gz DYLMXYWDYXUGBP-AULYBMBSSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccnc(OCC)c2)C1 ZINC001086474551 784766065 /nfs/dbraw/zinc/76/60/65/784766065.db2.gz LCRPERWRDFLLNJ-MQMHXKEQSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001007660331 784972010 /nfs/dbraw/zinc/97/20/10/784972010.db2.gz DATSKCVSCDWFNE-HNNXBMFYSA-N 0 3 312.417 2.034 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001007860937 785028358 /nfs/dbraw/zinc/02/83/58/785028358.db2.gz CKAWMZPOOULXRE-AWEZNQCLSA-N 0 3 304.390 2.027 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001007964708 785061434 /nfs/dbraw/zinc/06/14/34/785061434.db2.gz XHJSAQKPIUGIGV-SJLPKXTDSA-N 0 3 314.404 2.459 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001008000855 785073963 /nfs/dbraw/zinc/07/39/63/785073963.db2.gz PNRXXKMQOOGYIW-MRXNPFEDSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001008602011 785250429 /nfs/dbraw/zinc/25/04/29/785250429.db2.gz GMUWEMNWIMJRQJ-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001008871986 785321389 /nfs/dbraw/zinc/32/13/89/785321389.db2.gz WVEGPTBGIDOMKQ-JTQLQIEISA-N 0 3 316.327 2.199 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCCNCc1cc(C2CC2)no1 ZINC001169821927 785380359 /nfs/dbraw/zinc/38/03/59/785380359.db2.gz PEAULRMYFRILGU-CHWSQXEVSA-N 0 3 318.421 2.476 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001169848433 785386760 /nfs/dbraw/zinc/38/67/60/785386760.db2.gz OPXWYOMMMLLYFA-CABCVRRESA-N 0 3 312.417 2.483 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCN(CC2CC2)C1 ZINC001009125014 785391496 /nfs/dbraw/zinc/39/14/96/785391496.db2.gz SAHRKUUUTYNTCE-HNNXBMFYSA-N 0 3 315.417 2.251 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncoc2-c2ccon2)C1 ZINC001009220649 785412057 /nfs/dbraw/zinc/41/20/57/785412057.db2.gz PQCRQOPPAIXCDO-GFCCVEGCSA-N 0 3 316.361 2.100 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001156403905 785418513 /nfs/dbraw/zinc/41/85/13/785418513.db2.gz SJKWLXBDVPIUOS-CRAIPNDOSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2OC)C1 ZINC001009327915 785429380 /nfs/dbraw/zinc/42/93/80/785429380.db2.gz OBMYJLGZTFOCQW-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001009331716 785431850 /nfs/dbraw/zinc/43/18/50/785431850.db2.gz XSBYDUSAURPXBL-GOSISDBHSA-N 0 3 314.429 2.416 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001009492608 785464366 /nfs/dbraw/zinc/46/43/66/785464366.db2.gz DTTXCHRKIRXQLY-CQSZACIVSA-N 0 3 315.417 2.046 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001009524837 785472332 /nfs/dbraw/zinc/47/23/32/785472332.db2.gz PWFAHEQHNISTOK-CQSZACIVSA-N 0 3 314.389 2.440 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001009693700 785505246 /nfs/dbraw/zinc/50/52/46/785505246.db2.gz WWUCNWZNTWZXNO-PXNSSMCTSA-N 0 3 310.441 2.494 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001009722378 785512733 /nfs/dbraw/zinc/51/27/33/785512733.db2.gz ZLFLVBVFKYCFJQ-KRWDZBQOSA-N 0 3 313.445 2.360 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCC#CC)C[C@@H](C)O2 ZINC001111547778 785536235 /nfs/dbraw/zinc/53/62/35/785536235.db2.gz YMSDSPOHYMNXRD-QGZVFWFLSA-N 0 3 318.461 2.448 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2CCC[C@@H]2C(F)F)c1 ZINC001129376273 785663993 /nfs/dbraw/zinc/66/39/93/785663993.db2.gz SKQWDHXBPNJTTQ-GJZGRUSLSA-N 0 3 321.371 2.445 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[C@H]2C(F)F)c1 ZINC001129376276 785664499 /nfs/dbraw/zinc/66/44/99/785664499.db2.gz SKQWDHXBPNJTTQ-HUUCEWRRSA-N 0 3 321.371 2.445 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001109257557 785784944 /nfs/dbraw/zinc/78/49/44/785784944.db2.gz BQUAHPYYPIITFJ-ILXRZTDVSA-N 0 3 308.372 2.167 20 30 DEEDHN CCc1ccccc1CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010455686 785810637 /nfs/dbraw/zinc/81/06/37/785810637.db2.gz ABSGPVVKRMIORY-QGZVFWFLSA-N 0 3 322.412 2.453 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCN([C@@H]3CCc4ccccc43)C2)c1 ZINC001010480979 785823948 /nfs/dbraw/zinc/82/39/48/785823948.db2.gz URISDKAIWLEUDU-MAUKXSAKSA-N 0 3 320.396 2.378 20 30 DEEDHN Cc1ccccc1CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010643683 785883308 /nfs/dbraw/zinc/88/33/08/785883308.db2.gz MNZQLAGQAIDNND-MRXNPFEDSA-N 0 3 308.385 2.199 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001090433289 786128454 /nfs/dbraw/zinc/12/84/54/786128454.db2.gz PNESHKSTWRGCNY-HOTGVXAUSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC001112624411 786180478 /nfs/dbraw/zinc/18/04/78/786180478.db2.gz ZYTSJTFKJOZORD-UHFFFAOYSA-N 0 3 304.438 2.476 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCOCC(F)F)CC1 ZINC001112861752 786262726 /nfs/dbraw/zinc/26/27/26/786262726.db2.gz SNMODNQPYVMXAZ-ZDUSSCGKSA-N 0 3 304.381 2.157 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC001113142852 786413984 /nfs/dbraw/zinc/41/39/84/786413984.db2.gz KBLQHJVOAMQTDV-HNNXBMFYSA-N 0 3 316.449 2.217 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001113335322 786531457 /nfs/dbraw/zinc/53/14/57/786531457.db2.gz LJGURHNEPRLNAR-AWEZNQCLSA-N 0 3 303.406 2.208 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2cn(C)nc2C)CC1 ZINC001113398973 786572488 /nfs/dbraw/zinc/57/24/88/786572488.db2.gz MKMWVWIAVXMSLT-HNNXBMFYSA-N 0 3 318.465 2.160 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001014423893 786579803 /nfs/dbraw/zinc/57/98/03/786579803.db2.gz LKIHQRBALHUHGR-NEPJUHHUSA-N 0 3 309.435 2.231 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001014424347 786580284 /nfs/dbraw/zinc/58/02/84/786580284.db2.gz LKIHQRBALHUHGR-VXGBXAGGSA-N 0 3 309.435 2.231 20 30 DEEDHN C=CCCCN1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001113434572 786596636 /nfs/dbraw/zinc/59/66/36/786596636.db2.gz OWDGCBKOJSHZBU-UHFFFAOYSA-N 0 3 304.438 2.082 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001014529941 786622314 /nfs/dbraw/zinc/62/23/14/786622314.db2.gz RWISMCKYJNHBGD-JKSUJKDBSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001113504422 786647135 /nfs/dbraw/zinc/64/71/35/786647135.db2.gz NHGMSSXYXUDNDL-LSDHHAIUSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001113504422 786647139 /nfs/dbraw/zinc/64/71/39/786647139.db2.gz NHGMSSXYXUDNDL-LSDHHAIUSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC001113521712 786656106 /nfs/dbraw/zinc/65/61/06/786656106.db2.gz BSODUJAXTBAYRN-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001014965996 786832890 /nfs/dbraw/zinc/83/28/90/786832890.db2.gz XFURAURAGMFRNW-MRXNPFEDSA-N 0 3 309.369 2.169 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001170265110 786880627 /nfs/dbraw/zinc/88/06/27/786880627.db2.gz AXPPRGPWPKIPND-ZIAGYGMSSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001015457700 787062743 /nfs/dbraw/zinc/06/27/43/787062743.db2.gz WMZUTWFOWNOGJS-AWEZNQCLSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001015507664 787086851 /nfs/dbraw/zinc/08/68/51/787086851.db2.gz DJOFFBHQRSRCST-CVEARBPZSA-N 0 3 312.413 2.157 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001015675683 787180061 /nfs/dbraw/zinc/18/00/61/787180061.db2.gz CIGAAOJAFHBFQB-GJZGRUSLSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1sc(C)nc1C ZINC001129514103 787223219 /nfs/dbraw/zinc/22/32/19/787223219.db2.gz LHKNQABMVUAURQ-UHFFFAOYSA-N 0 3 318.446 2.267 20 30 DEEDHN C=CCOc1ccccc1CN1CCN(CCCOC)CC1 ZINC001139029500 787225171 /nfs/dbraw/zinc/22/51/71/787225171.db2.gz ARCVZIPZXJBJSL-UHFFFAOYSA-N 0 3 304.434 2.406 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001130409908 787380370 /nfs/dbraw/zinc/38/03/70/787380370.db2.gz XSHAXFSKBWLYTO-KSSFIOAISA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(C(C)C)CC2)C1 ZINC001130423857 787385930 /nfs/dbraw/zinc/38/59/30/787385930.db2.gz WNWOOACPZHNLOT-CQSZACIVSA-N 0 3 316.449 2.437 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(CC)cn1)C2 ZINC001096038546 787460905 /nfs/dbraw/zinc/46/09/05/787460905.db2.gz NRWFGIBJYUBXHN-SQNIBIBYSA-N 0 3 313.445 2.484 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc3cnccc3o2)cc1 ZINC001130872326 787489258 /nfs/dbraw/zinc/48/92/58/787489258.db2.gz XADNYKXVADWGLV-UHFFFAOYSA-N 0 3 320.352 2.219 20 30 DEEDHN Cn1cc(Cl)cc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131075493 787541213 /nfs/dbraw/zinc/54/12/13/787541213.db2.gz JKHICFQKKWUDEL-UHFFFAOYSA-N 0 3 316.792 2.070 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)noc1Cl)C2 ZINC001096165308 787549332 /nfs/dbraw/zinc/54/93/32/787549332.db2.gz IQMGKHZJFCWISB-XBFCOCLRSA-N 0 3 323.824 2.477 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3cccnc13)C2 ZINC001096352877 787630932 /nfs/dbraw/zinc/63/09/32/787630932.db2.gz FSRXYQGMYCXJKV-KCXAZCMYSA-N 0 3 310.401 2.474 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1F ZINC001131526063 787645937 /nfs/dbraw/zinc/64/59/37/787645937.db2.gz WYQMXWVNQFQXQI-HOTGVXAUSA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccc(C)n2C)CC[C@H]1C ZINC001131796331 787741704 /nfs/dbraw/zinc/74/17/04/787741704.db2.gz FEEMIFRJNMHQAU-CVEARBPZSA-N 0 3 319.449 2.119 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2occ3c2CCC3)s1 ZINC001131850927 787772371 /nfs/dbraw/zinc/77/23/71/787772371.db2.gz GOKTVBDAWSWCQZ-UHFFFAOYSA-N 0 3 315.398 2.221 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2c(C)ccn2C)CC[C@H]1C ZINC001131985013 787861221 /nfs/dbraw/zinc/86/12/21/787861221.db2.gz SHHHCSPZDAHISJ-CVEARBPZSA-N 0 3 319.449 2.119 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CCCF)C2)CCOCC1 ZINC001132095543 787925945 /nfs/dbraw/zinc/92/59/45/787925945.db2.gz ZLNBYNIULJHKRK-CVEARBPZSA-N 0 3 324.440 2.135 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCOCC)C2)CCC1 ZINC001132101365 787927457 /nfs/dbraw/zinc/92/74/57/787927457.db2.gz KHJDJOKODYFCAS-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COCC2CCCC2)CC[C@@H]1C ZINC001132116739 787937333 /nfs/dbraw/zinc/93/73/33/787937333.db2.gz UVFLSWBOQHGMNX-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3c[nH]nc31)C2 ZINC001097075738 787966875 /nfs/dbraw/zinc/96/68/75/787966875.db2.gz CSUUPUKKDORFLN-QXSJWSMHSA-N 0 3 314.433 2.127 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCc2ccnn2C)C1 ZINC001132256246 787992775 /nfs/dbraw/zinc/99/27/75/787992775.db2.gz LHJMHTMUEQPZGF-HZPDHXFCSA-N 0 3 318.465 2.288 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(CCC)c1)C2 ZINC001097267614 788043151 /nfs/dbraw/zinc/04/31/51/788043151.db2.gz NZLLZHXWFALUFZ-KURKYZTESA-N 0 3 311.429 2.393 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCOC2CCOCC2)CC[C@H]1C ZINC001132417083 788066558 /nfs/dbraw/zinc/06/65/58/788066558.db2.gz RLCMDODLYOSTNO-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCC(=O)NC(C)C)CC[C@H]1C ZINC001132430273 788071229 /nfs/dbraw/zinc/07/12/29/788071229.db2.gz VTLJKPNZLQZWFH-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3ccc(C)cc31)C2 ZINC001097426451 788097889 /nfs/dbraw/zinc/09/78/89/788097889.db2.gz MHVGVRNTWAGCQX-XYPHTWIQSA-N 0 3 322.412 2.230 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCn2cc(Cl)cn2)CC[C@H]1C ZINC001132505553 788108877 /nfs/dbraw/zinc/10/88/77/788108877.db2.gz SZBGDKYELLZCBT-TZMCWYRMSA-N 0 3 310.829 2.082 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCCO)C2)CCCCC1 ZINC001132528776 788115582 /nfs/dbraw/zinc/11/55/82/788115582.db2.gz GBTQRHIJVQLTMQ-DLBZAZTESA-N 0 3 320.477 2.312 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001132564542 788132222 /nfs/dbraw/zinc/13/22/22/788132222.db2.gz HCVFKDYJDKQQQM-QWHCGFSZSA-N 0 3 308.397 2.498 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132653622 788152486 /nfs/dbraw/zinc/15/24/86/788152486.db2.gz PXQWCQJZRBOPIY-AWEZNQCLSA-N 0 3 306.454 2.446 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001132670937 788162134 /nfs/dbraw/zinc/16/21/34/788162134.db2.gz HEAJXKFSEPGNLG-CVEARBPZSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1noc3c1CCCC3)C2 ZINC001097912877 788269477 /nfs/dbraw/zinc/26/94/77/788269477.db2.gz IPENRMJAMFOCJD-YUELXQCFSA-N 0 3 315.417 2.465 20 30 DEEDHN C[C@@H](CCCCNCc1nccn1C)NC(=O)C#CC(C)(C)C ZINC001170708746 788628637 /nfs/dbraw/zinc/62/86/37/788628637.db2.gz CQBUQQAOXADAMA-HNNXBMFYSA-N 0 3 318.465 2.234 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001133884494 788650365 /nfs/dbraw/zinc/65/03/65/788650365.db2.gz QBEHEDCWEQOKIJ-ZIAGYGMSSA-N 0 3 304.438 2.168 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1snnc1C ZINC001134206167 788800386 /nfs/dbraw/zinc/80/03/86/788800386.db2.gz PSJMBBBFQNMAJA-RYUDHWBXSA-N 0 3 308.451 2.023 20 30 DEEDHN Cc1ncc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001134329654 788875855 /nfs/dbraw/zinc/87/58/55/788875855.db2.gz QJHSMHYGGBXWLI-STQMWFEESA-N 0 3 305.422 2.405 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CCNC(=O)c1nnc2ccccc2c1[O-] ZINC001134591238 788993226 /nfs/dbraw/zinc/99/32/26/788993226.db2.gz HOUJSUFNMMJLNT-LBPRGKRZSA-N 0 3 314.389 2.010 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001070421638 789319742 /nfs/dbraw/zinc/31/97/42/789319742.db2.gz SCVXCXCFMGYKHD-ZFWWWQNUSA-N 0 3 316.449 2.437 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C)co2)C1 ZINC001070421251 789320920 /nfs/dbraw/zinc/32/09/20/789320920.db2.gz GDJYPRBZQSLALB-CYBMUJFWSA-N 0 3 314.389 2.216 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2nccn2C)C1 ZINC001135420003 789343157 /nfs/dbraw/zinc/34/31/57/789343157.db2.gz RWWYPLMUIPAYQH-KBPBESRZSA-N 0 3 304.438 2.149 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CC1CCCC1)C[C@@H](C)O2 ZINC001071127377 789539434 /nfs/dbraw/zinc/53/94/34/789539434.db2.gz NCIZLIXPGIEYJD-APWZRJJASA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccoc1)C[C@@H](C)O2 ZINC001071137081 789551837 /nfs/dbraw/zinc/55/18/37/789551837.db2.gz VFLMNBNIJQWXHZ-PBHICJAKSA-N 0 3 304.390 2.161 20 30 DEEDHN CC(C)=CCN1CC[C@]2(C1)CN(C(=O)C#CC1CC1)C[C@H](C)O2 ZINC001071167460 789571371 /nfs/dbraw/zinc/57/13/71/789571371.db2.gz ZGVXWRRMQPCRBX-LPHOPBHVSA-N 0 3 316.445 2.058 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cocc1C)C[C@@H](C)O2 ZINC001071195427 789584290 /nfs/dbraw/zinc/58/42/90/789584290.db2.gz XRUOIZQLMAVTRN-QAPCUYQASA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(CF)CC1)C[C@@H](C)O2 ZINC001071213401 789598531 /nfs/dbraw/zinc/59/85/31/789598531.db2.gz DVCACVTVGYMYNV-PBHICJAKSA-N 0 3 310.413 2.004 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001071260872 789614635 /nfs/dbraw/zinc/61/46/35/789614635.db2.gz HGNNWHDLDRGPCD-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccncc2C)CC[C@@H]1C ZINC001071507969 789749402 /nfs/dbraw/zinc/74/94/02/789749402.db2.gz FRYSDIOLYZAGDL-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnn2CC(C)C)CC[C@@H]1C ZINC001071544262 789771032 /nfs/dbraw/zinc/77/10/32/789771032.db2.gz WHANDDIQSAEBJJ-JKSUJKDBSA-N 0 3 316.449 2.145 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)CC[C@@H]1C ZINC001071588962 789797873 /nfs/dbraw/zinc/79/78/73/789797873.db2.gz NMTWJDMNHJBLTD-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2nc(C)sc2C)CC[C@H]1C ZINC001071608519 789811172 /nfs/dbraw/zinc/81/11/72/789811172.db2.gz AIKMLTICNRVDMF-BXUZGUMPSA-N 0 3 307.463 2.458 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3ncn(C)c32)CC[C@H]1C ZINC001071623331 789821600 /nfs/dbraw/zinc/82/16/00/789821600.db2.gz VIZNZSIPIMZFQV-CABCVRRESA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)c2cccnc2)CC[C@H]1C ZINC001071627408 789824244 /nfs/dbraw/zinc/82/42/44/789824244.db2.gz FJOXLXMTOCPWQL-NVXWUHKLSA-N 0 3 313.445 2.352 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@H]1C ZINC001071638749 789833595 /nfs/dbraw/zinc/83/35/95/789833595.db2.gz ONJLKOOULBRQLD-UONOGXRCSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@@H]1C ZINC001071641884 789835063 /nfs/dbraw/zinc/83/50/63/789835063.db2.gz HGSFPNTZAWPMRR-GJZGRUSLSA-N 0 3 324.428 2.477 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)CC[C@@H]1C ZINC001071648010 789840015 /nfs/dbraw/zinc/84/00/15/789840015.db2.gz LBRMSSILACUMTK-STQMWFEESA-N 0 3 313.405 2.068 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)nc2)CC[C@@H]1C ZINC001071662167 789847106 /nfs/dbraw/zinc/84/71/06/789847106.db2.gz BPLYDFUGNRMWSO-DZGCQCFKSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nncc3ccccc32)CC[C@H]1C ZINC001071678246 789859829 /nfs/dbraw/zinc/85/98/29/789859829.db2.gz ZWUPRTLULBXMRI-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc(Cl)n2C)CC[C@@H]1C ZINC001071677901 789860277 /nfs/dbraw/zinc/86/02/77/789860277.db2.gz XFYGVDJRKYFJKM-RYUDHWBXSA-N 0 3 310.829 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(OC)cn2)CC[C@H]1C ZINC001071759099 789906684 /nfs/dbraw/zinc/90/66/84/789906684.db2.gz FCFMXYLXDBPOGW-ZBFHGGJFSA-N 0 3 317.433 2.178 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nccc3[nH]ccc32)CC[C@H]1C ZINC001071831874 789934372 /nfs/dbraw/zinc/93/43/72/789934372.db2.gz OAXVHBHWAXGGMI-ZIAGYGMSSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)nc(C)n2)CC[C@H]1C ZINC001071894048 789962664 /nfs/dbraw/zinc/96/26/64/789962664.db2.gz VQEANJAUJREPDL-HIFRSBDPSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3nccnc32)CC[C@@H]1C ZINC001071935302 789978665 /nfs/dbraw/zinc/97/86/65/789978665.db2.gz ZZENJAOSBMFBEB-LSDHHAIUSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3nccnc32)CC[C@@H]1C ZINC001071935300 789978841 /nfs/dbraw/zinc/97/88/41/789978841.db2.gz ZZENJAOSBMFBEB-GJZGRUSLSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)CC[C@@H]1C ZINC001071943005 789981296 /nfs/dbraw/zinc/98/12/96/789981296.db2.gz VHFVCHCGKULJEN-JSGCOSHPSA-N 0 3 303.406 2.118 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2coc(CC3CC3)n2)CC[C@H]1C ZINC001071950069 789982994 /nfs/dbraw/zinc/98/29/94/789982994.db2.gz DABNZRVCKGSFME-UKRRQHHQSA-N 0 3 315.417 2.233 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccc(OC)n2)CC[C@H]1C ZINC001071953908 789985727 /nfs/dbraw/zinc/98/57/27/789985727.db2.gz HEIZSQWRUMHIES-KGLIPLIRSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccnc2N(C)C)CC[C@@H]1C ZINC001072073598 790042354 /nfs/dbraw/zinc/04/23/54/790042354.db2.gz ZZQPCPHKUAUGEA-LSDHHAIUSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)nc2)CC[C@@H]1C ZINC001072084799 790045903 /nfs/dbraw/zinc/04/59/03/790045903.db2.gz IVOAHKQXQUXJEP-DOTOQJQBSA-N 0 3 301.434 2.478 20 30 DEEDHN C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nccs1 ZINC001072285434 790106235 /nfs/dbraw/zinc/10/62/35/790106235.db2.gz VKDVBJYZIPYOEE-HIFRSBDPSA-N 0 3 317.458 2.131 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)c1 ZINC001074568602 791233339 /nfs/dbraw/zinc/23/33/39/791233339.db2.gz UONFLNKJQKBPSN-WWGRRREGSA-N 0 3 303.381 2.373 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001075017849 791432194 /nfs/dbraw/zinc/43/21/94/791432194.db2.gz UORGHWRBJWVRLO-JKSUJKDBSA-N 0 3 323.481 2.179 20 30 DEEDHN N#CCSCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001147031552 791436851 /nfs/dbraw/zinc/43/68/51/791436851.db2.gz ZHWNZJAWBVBDDO-UHFFFAOYSA-N 0 3 321.471 2.039 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001098286502 791603315 /nfs/dbraw/zinc/60/33/15/791603315.db2.gz IHSZOWPMZZXDQB-KURKYZTESA-N 0 3 314.404 2.292 20 30 DEEDHN Cc1ncccc1CN1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC001091658936 791618668 /nfs/dbraw/zinc/61/86/68/791618668.db2.gz BXBRILATHOLJQM-QUCCMNQESA-N 0 3 323.440 2.084 20 30 DEEDHN C[C@@]12CN(Cc3ccsc3)C[C@@H]1CN(C(=O)C#CC1CC1)C2 ZINC001091660000 791620014 /nfs/dbraw/zinc/62/00/14/791620014.db2.gz YTGGPDACJYWUMC-AEFFLSMTSA-N 0 3 314.454 2.442 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)CCCC)C2)nn1 ZINC001098619415 791663743 /nfs/dbraw/zinc/66/37/43/791663743.db2.gz ZKSYEUXGXAUGEJ-MRXNPFEDSA-N 0 3 319.453 2.298 20 30 DEEDHN CCCCCCCCC(=O)NCCNCC(=O)N(CC)CC ZINC001148728082 791794687 /nfs/dbraw/zinc/79/46/87/791794687.db2.gz UVCBQRBVYRGVHT-UHFFFAOYSA-N 0 3 313.486 2.311 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ncccc2OC)C1 ZINC001086862756 791833937 /nfs/dbraw/zinc/83/39/37/791833937.db2.gz PDJJZGMVHICORF-QWHCGFSZSA-N 0 3 323.824 2.331 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001086913175 791848258 /nfs/dbraw/zinc/84/82/58/791848258.db2.gz JORLTFOQHTXTMU-MWDXBVQZSA-N 0 3 300.446 2.369 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3CC(OCC)C3)C2)CC1 ZINC001086921029 791852191 /nfs/dbraw/zinc/85/21/91/791852191.db2.gz FLKGUFDFEKEHKS-KLAILNCOSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)cc(C)n3)C[C@]2(C)C1 ZINC001091808677 791884860 /nfs/dbraw/zinc/88/48/60/791884860.db2.gz TYRYTITVIBOSKU-APWZRJJASA-N 0 3 311.429 2.116 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC001091861090 791896066 /nfs/dbraw/zinc/89/60/66/791896066.db2.gz ZRLDEGBTDNPCFF-AEFFLSMTSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)Cc3ccco3)C[C@]2(C)C1 ZINC001092088036 791929896 /nfs/dbraw/zinc/92/98/96/791929896.db2.gz UVADLOJROATQCU-MDZRGWNJSA-N 0 3 314.429 2.262 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ncsc3C(C)C)C[C@]2(C)C1 ZINC001092192757 791942009 /nfs/dbraw/zinc/94/20/09/791942009.db2.gz WFABIGVWXKIQGQ-DYVFJYSZSA-N 0 3 317.458 2.294 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001098911624 791981473 /nfs/dbraw/zinc/98/14/73/791981473.db2.gz VFDLCLSXSAMHQM-KXBFYZLASA-N 0 3 324.428 2.344 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOC1CCC1 ZINC001098982158 792014187 /nfs/dbraw/zinc/01/41/87/792014187.db2.gz IVVMBWFHIRHBFI-CABCVRRESA-N 0 3 321.465 2.322 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001099083067 792083261 /nfs/dbraw/zinc/08/32/61/792083261.db2.gz HSQYFDAMLTXYJD-QITLCBANSA-N 0 3 316.449 2.287 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ccnn1C ZINC001099097604 792090287 /nfs/dbraw/zinc/09/02/87/792090287.db2.gz AGBOCRUYQZERTC-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnc(C)o1 ZINC001099110574 792100777 /nfs/dbraw/zinc/10/07/77/792100777.db2.gz GOEYWPBYNMWFRH-CQSZACIVSA-N 0 3 305.422 2.318 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2nsc3ccccc32)[C@H](C)C1 ZINC001092632911 792103880 /nfs/dbraw/zinc/10/38/80/792103880.db2.gz HNKOXYFIXMARQA-CHWSQXEVSA-N 0 3 313.426 2.227 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001099133278 792110780 /nfs/dbraw/zinc/11/07/80/792110780.db2.gz NMHKWAZXWBLIMS-JXFKEZNVSA-N 0 3 321.424 2.314 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncnc1 ZINC001099140554 792112566 /nfs/dbraw/zinc/11/25/66/792112566.db2.gz ZUVLODVXJIODPA-MRXNPFEDSA-N 0 3 316.449 2.202 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001099158273 792120458 /nfs/dbraw/zinc/12/04/58/792120458.db2.gz GJNUMVIVSUWCCV-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C(F)(F)F ZINC001099267508 792156373 /nfs/dbraw/zinc/15/63/73/792156373.db2.gz HARBCNKCZDMFJR-MWLCHTKSSA-N 0 3 319.352 2.312 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001092890003 792161141 /nfs/dbraw/zinc/16/11/41/792161141.db2.gz NKAQXCOFUMLTAO-BRXULGCHSA-N 0 3 317.458 2.460 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001099379384 792188922 /nfs/dbraw/zinc/18/89/22/792188922.db2.gz JILXVXMPYBEXJK-GDBMZVCRSA-N 0 3 318.465 2.316 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC001092998020 792195854 /nfs/dbraw/zinc/19/58/54/792195854.db2.gz BBSIULLVZFCWTO-DGCLKSJQSA-N 0 3 308.784 2.410 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CC)CC2)CC2(CCOCC2)C1 ZINC001099592614 792256068 /nfs/dbraw/zinc/25/60/68/792256068.db2.gz FZWLBYJUYQXQEZ-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C[C@H]1O ZINC001099726890 792330029 /nfs/dbraw/zinc/33/00/29/792330029.db2.gz KPKUSTBZLMINDO-QZTJIDSGSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001093353477 792336408 /nfs/dbraw/zinc/33/64/08/792336408.db2.gz AGSLFRFIBYDURI-QGZVFWFLSA-N 0 3 311.429 2.355 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001093375785 792347375 /nfs/dbraw/zinc/34/73/75/792347375.db2.gz CDTFVMPSPXVEJV-JKSUJKDBSA-N 0 3 306.425 2.461 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2cccc(C)c2)[C@@H](O)C1 ZINC001099935555 792409262 /nfs/dbraw/zinc/40/92/62/792409262.db2.gz QCXFMVDXZNWKBP-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100166718 792495661 /nfs/dbraw/zinc/49/56/61/792495661.db2.gz OKZZJWHKEGSAOU-UQPPLGOBSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCOCCCC(=O)NCC1CC(NCc2cncs2)C1 ZINC001100216115 792520999 /nfs/dbraw/zinc/52/09/99/792520999.db2.gz BAUHTTMYKZNLBW-UHFFFAOYSA-N 0 3 323.462 2.110 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(NCc2cc(OC)ccn2)C1 ZINC001100370956 792617235 /nfs/dbraw/zinc/61/72/35/792617235.db2.gz IQLDGSIPBQRYQY-UHFFFAOYSA-N 0 3 317.433 2.431 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](CN[C@H](C)c2nnc(C)[nH]2)[C@H](C)C1 ZINC001093965863 792664883 /nfs/dbraw/zinc/66/48/83/792664883.db2.gz VECQDGKVNICSOG-YRGRVCCFSA-N 0 3 319.453 2.070 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001100500434 792689471 /nfs/dbraw/zinc/68/94/71/792689471.db2.gz LYSLYOYYEJPJGK-RUXDESIVSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CC(C)(C)COC)C1 ZINC001100532937 792709527 /nfs/dbraw/zinc/70/95/27/792709527.db2.gz CKPZAFPZIXXFRP-UHFFFAOYSA-N 0 3 302.846 2.286 20 30 DEEDHN CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001094363904 792873721 /nfs/dbraw/zinc/87/37/21/792873721.db2.gz JTTQECIXFIZCSH-IEBWSBKVSA-N 0 3 312.413 2.390 20 30 DEEDHN CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001094363904 792873729 /nfs/dbraw/zinc/87/37/29/792873729.db2.gz JTTQECIXFIZCSH-IEBWSBKVSA-N 0 3 312.413 2.390 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cnc(C)s3)CCC[C@@H]12 ZINC001094377992 792895990 /nfs/dbraw/zinc/89/59/90/792895990.db2.gz WHQGRYVURQIYTG-GDBMZVCRSA-N 0 3 303.431 2.059 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001100923918 792920863 /nfs/dbraw/zinc/92/08/63/792920863.db2.gz KBBDPCNEYZDERR-ZALBZXLWSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC1CC(NCC=C(Cl)Cl)C1 ZINC001101058733 792995054 /nfs/dbraw/zinc/99/50/54/792995054.db2.gz SOFDOLMGVSWNPN-UNXYVOJBSA-N 0 3 321.248 2.381 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)/C(C)=C/C)c2)C1 ZINC001101092091 793014123 /nfs/dbraw/zinc/01/41/23/793014123.db2.gz LYXHWBSLIKGBSZ-ANQFXYINSA-N 0 3 315.417 2.303 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)C(=O)N[O-] ZINC001171474278 793106391 /nfs/dbraw/zinc/10/63/91/793106391.db2.gz UQLNOTHLHLBYNF-UAKXVISKSA-N 0 3 312.360 2.332 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCc3cccs3)C[C@]2(C)C1 ZINC001101455360 793166980 /nfs/dbraw/zinc/16/69/80/793166980.db2.gz NNYWHODUNABMTH-QAPCUYQASA-N 0 3 316.470 2.484 20 30 DEEDHN C#CCN1CCN(C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171931136 793265874 /nfs/dbraw/zinc/26/58/74/793265874.db2.gz XLXVBVZGSFTRQG-UHFFFAOYSA-N 0 3 306.450 2.138 20 30 DEEDHN CCC(=O)NC[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001101659555 793297963 /nfs/dbraw/zinc/29/79/63/793297963.db2.gz SAJVHQHJCKUVHS-GDBMZVCRSA-N 0 3 302.393 2.271 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(CCC(C)(C)O)CC1 ZINC001172311256 793394082 /nfs/dbraw/zinc/39/40/82/793394082.db2.gz AUYPYMIKHKVSSU-MRXNPFEDSA-N 0 3 315.461 2.268 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC001101904513 793434469 /nfs/dbraw/zinc/43/44/69/793434469.db2.gz BXRCKVPCTFVMGL-SJLPKXTDSA-N 0 3 318.461 2.211 20 30 DEEDHN CO[C@@H]1CN([C@H](C)CCCC#N)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172503652 793440035 /nfs/dbraw/zinc/44/00/35/793440035.db2.gz GLDDCFKSJLCXGI-HZSPNIEDSA-N 0 3 311.426 2.293 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)c2ccsc2C)[C@H](C)C1 ZINC001101943405 793451883 /nfs/dbraw/zinc/45/18/83/793451883.db2.gz SYNMZKKCDCBFOY-UKRRQHHQSA-N 0 3 320.458 2.004 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@]2(C)CC=CCC2)[C@H](C)C1 ZINC001101997982 793473791 /nfs/dbraw/zinc/47/37/91/793473791.db2.gz PLBUBMZYCUEMPS-LMMKCTJWSA-N 0 3 318.461 2.067 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C(C)(C)C(C)C)[C@H](C)C1 ZINC001102000287 793473913 /nfs/dbraw/zinc/47/39/13/793473913.db2.gz JMWINDRDRAYOMS-HZPDHXFCSA-N 0 3 308.466 2.003 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccnc2)C[C@H]1C#N ZINC001172967932 793546834 /nfs/dbraw/zinc/54/68/34/793546834.db2.gz MXUMVWAADRQFGQ-CABCVRRESA-N 0 3 316.405 2.463 20 30 DEEDHN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]cn2)[C@H](C)C1 ZINC001102451082 793619029 /nfs/dbraw/zinc/61/90/29/793619029.db2.gz IAMLRTJWHYYCCJ-YRGRVCCFSA-N 0 3 324.856 2.025 20 30 DEEDHN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](C)Cc2cnc[nH]2)[C@H](C)C1 ZINC001102451082 793619030 /nfs/dbraw/zinc/61/90/30/793619030.db2.gz IAMLRTJWHYYCCJ-YRGRVCCFSA-N 0 3 324.856 2.025 20 30 DEEDHN C=CCOC1CCC(N2CCN(c3ncccc3N)CC2)CC1 ZINC001173326780 793678887 /nfs/dbraw/zinc/67/88/87/793678887.db2.gz QJAUDCODABJSNT-UHFFFAOYSA-N 0 3 316.449 2.300 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCC(N3CC[C@@H](F)C3)CC2)cc1 ZINC001173430741 793730141 /nfs/dbraw/zinc/73/01/41/793730141.db2.gz YKDYXONQWPNBRD-OAHLLOKOSA-N 0 3 301.365 2.207 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)n(C)n2)C1 ZINC001102734304 793730086 /nfs/dbraw/zinc/73/00/86/793730086.db2.gz VHOSYGXVIPEZEX-BXUZGUMPSA-N 0 3 324.856 2.169 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC(OC)C2)C1 ZINC001103123273 793948875 /nfs/dbraw/zinc/94/88/75/793948875.db2.gz LXKTWTDFNINTOM-QSFCEBDXSA-N 0 3 314.857 2.238 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001174682158 794038539 /nfs/dbraw/zinc/03/85/39/794038539.db2.gz JPRWLMOASHHTHM-KBPBESRZSA-N 0 3 321.469 2.353 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCN[C@H](C)c1nncn1C ZINC001174682162 794038953 /nfs/dbraw/zinc/03/89/53/794038953.db2.gz JPRWLMOASHHTHM-UONOGXRCSA-N 0 3 321.469 2.353 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1nccn1C ZINC001174693916 794058920 /nfs/dbraw/zinc/05/89/20/794058920.db2.gz FIFGFEZIJRFFII-AWEZNQCLSA-N 0 3 306.454 2.397 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174832713 794074083 /nfs/dbraw/zinc/07/40/83/794074083.db2.gz FBYIFSOQNIZOLL-HIFRSBDPSA-N 0 3 321.469 2.480 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC001175648265 794254771 /nfs/dbraw/zinc/25/47/71/794254771.db2.gz WSLDTKAFKDQNMJ-GFCCVEGCSA-N 0 3 314.788 2.441 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C ZINC001103959760 794328189 /nfs/dbraw/zinc/32/81/89/794328189.db2.gz FAIIBGVUQQGXJP-TZMCWYRMSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C ZINC001104075084 794370402 /nfs/dbraw/zinc/37/04/02/794370402.db2.gz UZCMSHRDHQAFSH-BPLDGKMQSA-N 0 3 314.857 2.382 20 30 DEEDHN Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C#N)C1 ZINC001111667278 794451927 /nfs/dbraw/zinc/45/19/27/794451927.db2.gz ZAPULEWIOMKZNO-OWQGQXMQSA-N 0 3 312.417 2.020 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001111777201 794477020 /nfs/dbraw/zinc/47/70/20/794477020.db2.gz SYRDGQFQUHHYGH-LNLFQRSKSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccccn2)C1 ZINC001111830672 794492906 /nfs/dbraw/zinc/49/29/06/794492906.db2.gz PVXHASDPEBHOSC-LPHOPBHVSA-N 0 3 311.429 2.008 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COc2ccc(F)cc2)C1 ZINC001111977571 794537839 /nfs/dbraw/zinc/53/78/39/794537839.db2.gz BNRLDZXBUJNGNZ-KSSFIOAISA-N 0 3 318.392 2.361 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)/C(C)=C/CC)C[C@H]1C(F)(F)F ZINC001112062212 794552721 /nfs/dbraw/zinc/55/27/21/794552721.db2.gz DPFKMZVWGHTGNK-PGJRDNSLSA-N 0 3 302.340 2.345 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](C)OC)C1 ZINC001112109342 794560577 /nfs/dbraw/zinc/56/05/77/794560577.db2.gz IXNBRDQSQKGEMC-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001177205109 794599910 /nfs/dbraw/zinc/59/99/10/794599910.db2.gz TUUTXZSLNXSVKG-UHFFFAOYSA-N 0 3 323.824 2.131 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOc1ccccc1 ZINC001115203212 794703817 /nfs/dbraw/zinc/70/38/17/794703817.db2.gz MDWOXOXBPXLBSD-VQFNDLOPSA-N 0 3 300.402 2.078 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)c1cccc(OC)c1 ZINC001115321866 794735506 /nfs/dbraw/zinc/73/55/06/794735506.db2.gz DYVLPUNPVXAWGO-CKNFYHOISA-N 0 3 314.429 2.421 20 30 DEEDHN Cc1cc(C(=O)N2CC[C@H](NCC#Cc3ccccc3)[C@@H]2C)on1 ZINC001178111078 794824692 /nfs/dbraw/zinc/82/46/92/794824692.db2.gz MORVFULPNCYJQU-RDJZCZTQSA-N 0 3 323.396 2.227 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@H](C)CC)[C@H]1C ZINC001178139271 794838485 /nfs/dbraw/zinc/83/84/85/794838485.db2.gz BPIKYKUSGQSYRI-PMPSAXMXSA-N 0 3 323.481 2.036 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178296223 794886863 /nfs/dbraw/zinc/88/68/63/794886863.db2.gz CGLMWFIFSRYIAI-HUBLWGQQSA-N 0 3 321.446 2.124 20 30 DEEDHN C=C(C)CC[NH2+]CCCCCCNC(=O)c1cnc[n-]c1=O ZINC001178786592 794994017 /nfs/dbraw/zinc/99/40/17/794994017.db2.gz OLIKZFPQXUPQLG-UHFFFAOYSA-N 0 3 306.410 2.028 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179307312 795090973 /nfs/dbraw/zinc/09/09/73/795090973.db2.gz URBBESWXUQKTOW-KBPBESRZSA-N 0 3 321.469 2.338 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(CC)CC)[C@@H]1C ZINC001179451683 795116534 /nfs/dbraw/zinc/11/65/34/795116534.db2.gz DLLSDIPDRBOAOA-JYJNAYRXSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179482116 795122545 /nfs/dbraw/zinc/12/25/45/795122545.db2.gz PGMRNGGOOVEWTL-QGZVFWFLSA-N 0 3 321.469 2.184 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc(F)c(F)c(F)c1 ZINC001179959335 795219849 /nfs/dbraw/zinc/21/98/49/795219849.db2.gz MIGXRTMCUKKDNZ-LBPRGKRZSA-N 0 3 312.335 2.413 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccc(C)cc3)C2)C1=O ZINC001118922507 795239122 /nfs/dbraw/zinc/23/91/22/795239122.db2.gz BUKYPTLXEARIII-CVEARBPZSA-N 0 3 313.401 2.066 20 30 DEEDHN C#CCN1CCC[C@H](NCc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001119504060 795313642 /nfs/dbraw/zinc/31/36/42/795313642.db2.gz AEULRFSDWKCQHX-KGLIPLIRSA-N 0 3 303.475 2.455 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC001119532331 795319224 /nfs/dbraw/zinc/31/92/24/795319224.db2.gz IROUUQXNGBUFRI-KIUWMYQTSA-N 0 3 300.402 2.192 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001180994316 795407915 /nfs/dbraw/zinc/40/79/15/795407915.db2.gz VKLTXSBSWSGGCN-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@@H]([C@H]2CCCN2CCF)C1 ZINC001120469917 795467561 /nfs/dbraw/zinc/46/75/61/795467561.db2.gz NPDUZOZNDQEQEV-HZPDHXFCSA-N 0 3 312.429 2.252 20 30 DEEDHN Cc1ccc(OC[C@@H](O)CNCC#C[C@@H]2CCCCO2)c(C)c1 ZINC001120610809 795497757 /nfs/dbraw/zinc/49/77/57/795497757.db2.gz PSZKTTKBLIINBE-ROUUACIJSA-N 0 3 317.429 2.205 20 30 DEEDHN C=CCn1c(CCC)nnc1N1CCN(C2CCCC2)CC1 ZINC001121617497 795661331 /nfs/dbraw/zinc/66/13/31/795661331.db2.gz NHRCCEYNQIHWIT-UHFFFAOYSA-N 0 3 303.454 2.481 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC001121858604 795696533 /nfs/dbraw/zinc/69/65/33/795696533.db2.gz UJPJNMDRHAAARW-LSDHHAIUSA-N 0 3 322.380 2.230 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCn1c(C)nc2ccccc21 ZINC001121902327 795702592 /nfs/dbraw/zinc/70/25/92/795702592.db2.gz WJDZNBHMDONNSA-CQSZACIVSA-N 0 3 300.406 2.145 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1nc2cc(C)ccc2n1C ZINC001121966105 795710019 /nfs/dbraw/zinc/71/00/19/795710019.db2.gz UUXKQBFPKGRCOX-ZDUSSCGKSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001122096819 795725606 /nfs/dbraw/zinc/72/56/06/795725606.db2.gz VITHCGUPEXIHLP-HOCLYGCPSA-N 0 3 302.374 2.088 20 30 DEEDHN CCCCOCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC001122406254 795754729 /nfs/dbraw/zinc/75/47/29/795754729.db2.gz HVPCRJCCAYAHCX-CQSZACIVSA-N 0 3 304.346 2.159 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2ccnc(N(C)C)c2)C1 ZINC001182932871 795786435 /nfs/dbraw/zinc/78/64/35/795786435.db2.gz NPXJBPWWHZDZGK-MRXNPFEDSA-N 0 3 316.449 2.194 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@H](NCc2cncs2)C1)OCC ZINC001182973214 795790895 /nfs/dbraw/zinc/79/08/95/795790895.db2.gz BNKPKAPEQUNANF-HIFRSBDPSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001183249483 795837601 /nfs/dbraw/zinc/83/76/01/795837601.db2.gz KHKIKFYKRLNXGG-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN N#Cc1ccc(NC(=O)C(C#N)Cc2ccc(O)cc2)c(C#N)c1 ZINC001183615449 795907818 /nfs/dbraw/zinc/90/78/18/795907818.db2.gz FCCHCFVNTVQNST-HNNXBMFYSA-N 0 3 316.320 2.457 20 30 DEEDHN C=C(CC(C)C)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC001123510992 795925341 /nfs/dbraw/zinc/92/53/41/795925341.db2.gz ZDPCFHDIWNBMLT-UHFFFAOYSA-N 0 3 302.422 2.374 20 30 DEEDHN Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N[C@H]1CCCN(C)C1 ZINC001183888927 795950728 /nfs/dbraw/zinc/95/07/28/795950728.db2.gz AJKWURSREMZQTG-AWEZNQCLSA-N 0 3 310.401 2.101 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C1=NOC2(C1)CCCCC2 ZINC001184698462 796105846 /nfs/dbraw/zinc/10/58/46/796105846.db2.gz ZMKBGYWOGSAXBI-AWEZNQCLSA-N 0 3 305.422 2.232 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2sccc2-n2cccc2)C1 ZINC001184720450 796110032 /nfs/dbraw/zinc/11/00/32/796110032.db2.gz PFOVLBKQQQPMLF-CQSZACIVSA-N 0 3 313.426 2.366 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc3cccc(OC)c3o2)C1 ZINC001185238234 796219828 /nfs/dbraw/zinc/21/98/28/796219828.db2.gz FJKGNZAWWDPOKU-CQSZACIVSA-N 0 3 312.369 2.269 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](NCc2cncs2)C12CCC2 ZINC001202846288 796242287 /nfs/dbraw/zinc/24/22/87/796242287.db2.gz JIFPKFUFXLASQW-HUUCEWRRSA-N 0 3 317.458 2.464 20 30 DEEDHN C=CCc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1[O-] ZINC001138627811 796246415 /nfs/dbraw/zinc/24/64/15/796246415.db2.gz PFMCRFIYRACBLJ-FVQHAEBGSA-N 0 3 314.429 2.323 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1[O-] ZINC001138627811 796246418 /nfs/dbraw/zinc/24/64/18/796246418.db2.gz PFMCRFIYRACBLJ-FVQHAEBGSA-N 0 3 314.429 2.323 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001185617085 796294167 /nfs/dbraw/zinc/29/41/67/796294167.db2.gz WHXZUDONMRQACR-GOEBONIOSA-N 0 3 302.393 2.218 20 30 DEEDHN Cc1ncc(CN[C@H]2C[C@H](NC(=O)C#CC(C)C)C23CCC3)o1 ZINC001202878113 796303726 /nfs/dbraw/zinc/30/37/26/796303726.db2.gz RJXAAWGBKVYWTB-HOTGVXAUSA-N 0 3 315.417 2.159 20 30 DEEDHN CC(=O)N[C@H]1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405929 796371144 /nfs/dbraw/zinc/37/11/44/796371144.db2.gz FOQGGQHHLCSRPE-SFHVURJKSA-N 0 3 320.396 2.331 20 30 DEEDHN C=CCOC[C@@H]1CCC[C@@]12CN(CC1(CC)COC1)CCO2 ZINC001202949153 796397624 /nfs/dbraw/zinc/39/76/24/796397624.db2.gz LIMQFHDLDQKBIB-FUHWJXTLSA-N 0 3 309.450 2.487 20 30 DEEDHN C=CCn1cc(CN2CC[C@H]3OCCC[C@@]3(COC)C2)cn1 ZINC001139769696 796424134 /nfs/dbraw/zinc/42/41/34/796424134.db2.gz NSRPJISNPFJREG-SJORKVTESA-N 0 3 305.422 2.087 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001186674158 796434646 /nfs/dbraw/zinc/43/46/46/796434646.db2.gz JEYSFQJTTQXNGU-DLBZAZTESA-N 0 3 300.402 2.036 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC001186981966 796469515 /nfs/dbraw/zinc/46/95/15/796469515.db2.gz UWVWEQGRUSMZKL-MRXNPFEDSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ocnc2C2CC2)CC1 ZINC001161206759 796477851 /nfs/dbraw/zinc/47/78/51/796477851.db2.gz MWOSWMUGAMZGDH-UHFFFAOYSA-N 0 3 301.390 2.490 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC[C@H](n4ccnn4)C3)c2c1 ZINC001140117541 796479077 /nfs/dbraw/zinc/47/90/77/796479077.db2.gz TUBJSDDIFCOAAT-HNNXBMFYSA-N 0 3 306.373 2.468 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2coc3ccc(F)cc23)C1 ZINC001187459796 796538817 /nfs/dbraw/zinc/53/88/17/796538817.db2.gz GMHMPICESAQKRJ-CYBMUJFWSA-N 0 3 300.333 2.399 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NC/C=C\Cl)C2)CCOCC1 ZINC001187491855 796543395 /nfs/dbraw/zinc/54/33/95/796543395.db2.gz VCPSACFCROYPGC-LEPFTWFBSA-N 0 3 312.841 2.302 20 30 DEEDHN N#Cc1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001187686183 796561788 /nfs/dbraw/zinc/56/17/88/796561788.db2.gz LAPWEVMNBMJHNK-CQSZACIVSA-N 0 3 309.329 2.012 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@]3(CCNC3=O)C2)c1Cl ZINC001140812310 796576765 /nfs/dbraw/zinc/57/67/65/796576765.db2.gz UMHXPILPMWYVFN-INIZCTEOSA-N 0 3 303.793 2.314 20 30 DEEDHN O=C(Nc1ccc2c(c1)OCO2)N1CCC2SC(=O)C=C2C1 ZINC001187838908 796586004 /nfs/dbraw/zinc/58/60/04/796586004.db2.gz HKEGWWIZFUWWMA-ZDUSSCGKSA-N 0 3 318.354 2.221 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2cccc(OC)c2)C1 ZINC001188235652 796642081 /nfs/dbraw/zinc/64/20/81/796642081.db2.gz GCLFWABKCNYTCA-NVXWUHKLSA-N 0 3 314.429 2.403 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001188243020 796643003 /nfs/dbraw/zinc/64/30/03/796643003.db2.gz HOULMBWIIFNTOI-DOMZBBRYSA-N 0 3 302.805 2.194 20 30 DEEDHN O=C(/C=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC001142005287 796706109 /nfs/dbraw/zinc/70/61/09/796706109.db2.gz YSMSQOJTZMCBDB-FCIQKIPGSA-N 0 3 316.376 2.009 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001188692924 796706930 /nfs/dbraw/zinc/70/69/30/796706930.db2.gz GZIDJSSKSOAOCV-INIZCTEOSA-N 0 3 302.418 2.344 20 30 DEEDHN N#Cc1cc[nH]c1NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142343221 796736911 /nfs/dbraw/zinc/73/69/11/796736911.db2.gz DKAOHLQDEYVTKR-UHFFFAOYSA-N 0 3 309.373 2.132 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(C3CC3)cn2)cc1 ZINC001149517721 796864521 /nfs/dbraw/zinc/86/45/21/796864521.db2.gz CIQFUQOORYHGLL-UHFFFAOYSA-N 0 3 320.396 2.350 20 30 DEEDHN CCOc1ccccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001149604363 796875379 /nfs/dbraw/zinc/87/53/79/796875379.db2.gz NNRMOROLDVFHGL-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2sccc2F)C1 ZINC001189971535 796909315 /nfs/dbraw/zinc/90/93/15/796909315.db2.gz BTGUWQRIXYKUBC-LBPRGKRZSA-N 0 3 312.410 2.236 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](N(C)CCOc2ccccc2)C1 ZINC001190067991 796922231 /nfs/dbraw/zinc/92/22/31/796922231.db2.gz WMZDJHHTMFOTDC-QGZVFWFLSA-N 0 3 314.429 2.258 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001150167143 796924733 /nfs/dbraw/zinc/92/47/33/796924733.db2.gz YJNAAKOCCGKCTL-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CN(CCOc1ccccc1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001190075888 796933919 /nfs/dbraw/zinc/93/39/19/796933919.db2.gz GMAOPWOGLMASOA-QGZVFWFLSA-N 0 3 312.413 2.012 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)c2ccsc2)C1 ZINC001150317016 796934794 /nfs/dbraw/zinc/93/47/94/796934794.db2.gz GQAMNTLQFQLZAZ-ZBFHGGJFSA-N 0 3 320.458 2.082 20 30 DEEDHN CN(C[C@@H]1CCCCO1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084583 796935460 /nfs/dbraw/zinc/93/54/60/796935460.db2.gz PQXSYOUOHBDWKT-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN Cc1nc(C)c(C(=O)NCCNCc2ccc(C#N)s2)s1 ZINC001150381859 796939708 /nfs/dbraw/zinc/93/97/08/796939708.db2.gz OIQRGUGUXVRMLG-UHFFFAOYSA-N 0 3 320.443 2.213 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCOC[C@H]2CCCO2)C1 ZINC001190436180 797007411 /nfs/dbraw/zinc/00/74/11/797007411.db2.gz SCJIPVWCNBIMAK-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCCC(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151091386 797009285 /nfs/dbraw/zinc/00/92/85/797009285.db2.gz WYYZVQLJSUXTSY-UHFFFAOYSA-N 0 3 306.450 2.353 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CCC(F)F)CC1 ZINC001151225307 797023878 /nfs/dbraw/zinc/02/38/78/797023878.db2.gz IWOLUQZCOZWKPO-UHFFFAOYSA-N 0 3 304.381 2.205 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H](F)C(C)C)CC1 ZINC001151248001 797027291 /nfs/dbraw/zinc/02/72/91/797027291.db2.gz HFSCMCIJZBFFSK-AWEZNQCLSA-N 0 3 300.418 2.154 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccnc(C)c2)CC1 ZINC001151375057 797038490 /nfs/dbraw/zinc/03/84/90/797038490.db2.gz UZVNBCYVTADCPD-UHFFFAOYSA-N 0 3 317.433 2.177 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 ZINC001190701944 797051781 /nfs/dbraw/zinc/05/17/81/797051781.db2.gz XDJFDXIOCFEQJQ-IAGOWNOFSA-N 0 3 320.408 2.347 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 ZINC001190905688 797110040 /nfs/dbraw/zinc/11/00/40/797110040.db2.gz ZWXHGPYQQZKGAE-HZPDHXFCSA-N 0 3 308.422 2.333 20 30 DEEDHN Cc1ncccc1CNCCNC(=O)CC#Cc1ccccc1 ZINC001151952789 797123254 /nfs/dbraw/zinc/12/32/54/797123254.db2.gz HEMJEMPNIWGGRG-UHFFFAOYSA-N 0 3 307.397 2.038 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)c(C)n1 ZINC001152078468 797141953 /nfs/dbraw/zinc/14/19/53/797141953.db2.gz QPYZPSXEDSOJGP-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN CC[C@@H](OC)C(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152280093 797166399 /nfs/dbraw/zinc/16/63/99/797166399.db2.gz FDAQAPHYQBMPBZ-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ncc(C)cc2C)C1 ZINC001191459210 797211218 /nfs/dbraw/zinc/21/12/18/797211218.db2.gz LMEKBLWKHNLWEM-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC001191900190 797283268 /nfs/dbraw/zinc/28/32/68/797283268.db2.gz AKPFHNJLKPSRKI-RDJZCZTQSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001191902008 797284103 /nfs/dbraw/zinc/28/41/03/797284103.db2.gz LPDYESYJRDECCW-HZPDHXFCSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(Cl)CNCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC001153266835 797313148 /nfs/dbraw/zinc/31/31/48/797313148.db2.gz WDEAOUKGDAUMHJ-UHFFFAOYSA-N 0 3 313.829 2.193 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)cnn1CC ZINC001153560231 797354199 /nfs/dbraw/zinc/35/41/99/797354199.db2.gz BQVJSYODTNKQLD-GFCCVEGCSA-N 0 3 310.829 2.020 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001192316062 797360718 /nfs/dbraw/zinc/36/07/18/797360718.db2.gz NEFPUHXUVDGAHG-LSDHHAIUSA-N 0 3 306.406 2.118 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O ZINC001192320890 797361730 /nfs/dbraw/zinc/36/17/30/797361730.db2.gz NPGNXZRAXLIGQW-HZPDHXFCSA-N 0 3 308.466 2.168 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001192397884 797383345 /nfs/dbraw/zinc/38/33/45/797383345.db2.gz NTWADZCEKHPJEK-STQMWFEESA-N 0 3 304.381 2.013 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001192580872 797415880 /nfs/dbraw/zinc/41/58/80/797415880.db2.gz OBQIUZBIVXUVSL-IGQOVBAYSA-N 0 3 318.408 2.019 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001153952455 797429706 /nfs/dbraw/zinc/42/97/06/797429706.db2.gz KCUSUNRHJPNCRA-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001153998146 797439907 /nfs/dbraw/zinc/43/99/07/797439907.db2.gz KQIQLMVJBJDJTH-IAGOWNOFSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1cccc(OC)c1 ZINC001154278781 797502492 /nfs/dbraw/zinc/50/24/92/797502492.db2.gz MULSPKHHQSTYPT-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H]1O ZINC001193400093 797559121 /nfs/dbraw/zinc/55/91/21/797559121.db2.gz IXKJJEITDSINAJ-FGTMMUONSA-N 0 3 314.429 2.192 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(C(=O)OCCCC)CC1 ZINC001193693931 797611191 /nfs/dbraw/zinc/61/11/91/797611191.db2.gz PHSHLROYLXMQQU-UHFFFAOYSA-N 0 3 309.454 2.215 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCCc2nc(C(C)C)no2)C1 ZINC001194018462 797663188 /nfs/dbraw/zinc/66/31/88/797663188.db2.gz ZQIDMMRIQHGOCY-CQSZACIVSA-N 0 3 320.437 2.234 20 30 DEEDHN N#Cc1cncc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC001194120904 797677814 /nfs/dbraw/zinc/67/78/14/797677814.db2.gz FUVUHVMXJVQDPL-SFHVURJKSA-N 0 3 320.396 2.348 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)Cc1ccccc1F ZINC001155211735 797709833 /nfs/dbraw/zinc/70/98/33/797709833.db2.gz ZSXQEFSZYNQMEW-HUUCEWRRSA-N 0 3 304.409 2.464 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cnc(CC)s2)C1 ZINC001194375010 797715438 /nfs/dbraw/zinc/71/54/38/797715438.db2.gz MHEVADVSJFOIRQ-CYBMUJFWSA-N 0 3 323.462 2.054 20 30 DEEDHN C[C@@H](N)c1nc2ccccc2n1-c1nc(C#N)c(C#N)nc1Cl ZINC001155254475 797718643 /nfs/dbraw/zinc/71/86/43/797718643.db2.gz MEMDSFZFZQHAOU-MRVPVSSYSA-N 0 3 323.747 2.232 20 30 DEEDHN COc1nc(-n2c3ccccc3nc2[C@@H](C)N)c(F)cc1C#N ZINC001155257648 797718697 /nfs/dbraw/zinc/71/86/97/797718697.db2.gz HZUQJXSOMYPUBZ-SECBINFHSA-N 0 3 311.320 2.460 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(F)c1F ZINC001155510063 797776339 /nfs/dbraw/zinc/77/63/39/797776339.db2.gz POUFAQKTRHNPRX-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(F)cc2cccnc21 ZINC001155601117 797801309 /nfs/dbraw/zinc/80/13/09/797801309.db2.gz GGVOYXUEOWFZKG-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN C=CCOc1cc(C)nc(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001155826242 797857758 /nfs/dbraw/zinc/85/77/58/797857758.db2.gz DWKPFFFBQANRNI-WMLDXEAASA-N 0 3 318.421 2.063 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CC)c1c(C)noc1C ZINC001155850883 797866115 /nfs/dbraw/zinc/86/61/15/797866115.db2.gz KNOPNUDNDMPJDW-DOMZBBRYSA-N 0 3 305.422 2.245 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001195433630 797907020 /nfs/dbraw/zinc/90/70/20/797907020.db2.gz JMTZSFCXPTXFHE-FAQRCVTKSA-N 0 3 306.450 2.417 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1c[nH]nc1-c1ccsc1 ZINC001156063709 797917575 /nfs/dbraw/zinc/91/75/75/797917575.db2.gz DBUZLCNFNNIBFN-GFCCVEGCSA-N 0 3 316.430 2.212 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(OC(C)C)n1 ZINC001156097904 797925200 /nfs/dbraw/zinc/92/52/00/797925200.db2.gz VOKVEZFAPAJVSN-OAHLLOKOSA-N 0 3 317.433 2.332 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001156253413 797958183 /nfs/dbraw/zinc/95/81/83/797958183.db2.gz AJYQBLSVZLOMJP-CYBMUJFWSA-N 0 3 304.438 2.305 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001156253413 797958186 /nfs/dbraw/zinc/95/81/86/797958186.db2.gz AJYQBLSVZLOMJP-CYBMUJFWSA-N 0 3 304.438 2.305 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(C(C)C)c1C ZINC001156292341 797968906 /nfs/dbraw/zinc/96/89/06/797968906.db2.gz FXSUMFHTQFSBAI-CQSZACIVSA-N 0 3 304.438 2.236 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001195850236 797969309 /nfs/dbraw/zinc/96/93/09/797969309.db2.gz HHCOBCVTMYBEEM-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN Cc1[nH]ccc1C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156359743 797983997 /nfs/dbraw/zinc/98/39/97/797983997.db2.gz DFEKCHMPMMKLHU-UHFFFAOYSA-N 0 3 314.364 2.244 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)cc1OC ZINC001156585606 798035055 /nfs/dbraw/zinc/03/50/55/798035055.db2.gz ULFKDYXXJIAOKN-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccc(CC)cc1 ZINC001156712310 798068395 /nfs/dbraw/zinc/06/83/95/798068395.db2.gz QWVSQGFOMFWYBZ-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001156717848 798069813 /nfs/dbraw/zinc/06/98/13/798069813.db2.gz XGLTUMJCIPFURJ-HZPDHXFCSA-N 0 3 302.418 2.304 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1ccccc1OC ZINC001156767088 798078851 /nfs/dbraw/zinc/07/88/51/798078851.db2.gz NFVRHKBUYVATOX-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001196589372 798080951 /nfs/dbraw/zinc/08/09/51/798080951.db2.gz HMLYKIJVDQJWDK-DJIMGWMZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)COc1ccccc1 ZINC001156912750 798107206 /nfs/dbraw/zinc/10/72/06/798107206.db2.gz DQGBXHRMYIVGAI-HZPDHXFCSA-N 0 3 302.418 2.161 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CN(CC)c1ccccc1 ZINC001157069104 798137466 /nfs/dbraw/zinc/13/74/66/798137466.db2.gz NYCRWJVGZCKVGF-QGZVFWFLSA-N 0 3 315.461 2.363 20 30 DEEDHN CC(C)COCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001157695909 798260832 /nfs/dbraw/zinc/26/08/32/798260832.db2.gz JZUKQALJBHISGN-JKSUJKDBSA-N 0 3 309.454 2.132 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](OCC)C(C)C ZINC001157826598 798288488 /nfs/dbraw/zinc/28/84/88/798288488.db2.gz BYVBDNLDMLXMAO-LBPRGKRZSA-N 0 3 321.259 2.052 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cn(C(C)(C)C)nn1 ZINC001158050739 798332795 /nfs/dbraw/zinc/33/27/95/798332795.db2.gz UCUVIUFNFWMLMQ-CQSZACIVSA-N 0 3 319.453 2.146 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ncnc2[nH]ccc21 ZINC001158185262 798355817 /nfs/dbraw/zinc/35/58/17/798355817.db2.gz GHQSABVFOCMSSU-CYBMUJFWSA-N 0 3 313.405 2.022 20 30 DEEDHN C=CCCN[C@H](CNC(=O)C[C@H](C)OC)c1ccccc1OC ZINC001198595285 798363203 /nfs/dbraw/zinc/36/32/03/798363203.db2.gz JNXSBCMTJTUTDB-GOEBONIOSA-N 0 3 320.433 2.443 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cccn2CC)C1 ZINC001198689145 798377746 /nfs/dbraw/zinc/37/77/46/798377746.db2.gz KWPDKKDYPHHHDE-NVXWUHKLSA-N 0 3 321.465 2.253 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2CN(C)CCOC)cc1 ZINC001158310915 798382449 /nfs/dbraw/zinc/38/24/49/798382449.db2.gz NGMSEFNMRWMPQW-GOSISDBHSA-N 0 3 314.429 2.241 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)c1cncnc1 ZINC001158369098 798396169 /nfs/dbraw/zinc/39/61/69/798396169.db2.gz BLCXCHCSLJNDEH-GOEBONIOSA-N 0 3 302.422 2.079 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H](NCCC)c1ccccc1OC ZINC001199002718 798428379 /nfs/dbraw/zinc/42/83/79/798428379.db2.gz YRSSGEXGUAQMIK-MRXNPFEDSA-N 0 3 320.433 2.445 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001199260775 798458761 /nfs/dbraw/zinc/45/87/61/798458761.db2.gz HZLFOCXTIYAHOL-HUUCEWRRSA-N 0 3 306.406 2.144 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(CC)n(C)n1 ZINC001158966560 798496848 /nfs/dbraw/zinc/49/68/48/798496848.db2.gz KZGIKIGJOUZEKC-OAHLLOKOSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001159032513 798510001 /nfs/dbraw/zinc/51/00/01/798510001.db2.gz JIFALXGQOVJLPP-UHFFFAOYSA-N 0 3 304.438 2.172 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001159232423 798541191 /nfs/dbraw/zinc/54/11/91/798541191.db2.gz MBYYSYAAKPNEOK-UHFFFAOYSA-N 0 3 305.809 2.443 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)COCc1ccc(C)cc1 ZINC001159386832 798560341 /nfs/dbraw/zinc/56/03/41/798560341.db2.gz SAAUPFJEPTWWSM-UHFFFAOYSA-N 0 3 310.825 2.360 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C1(COC)CCCCC1 ZINC001159400582 798561198 /nfs/dbraw/zinc/56/11/98/798561198.db2.gz DHJRLVVMPMAHGK-UHFFFAOYSA-N 0 3 302.846 2.432 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCOCC(C)C)CC1 ZINC001159420683 798562517 /nfs/dbraw/zinc/56/25/17/798562517.db2.gz XZUWELKRMXYLRD-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1cc(OCC)ccn1 ZINC001159925109 798626962 /nfs/dbraw/zinc/62/69/62/798626962.db2.gz AERDKQQGIOBRHB-AWEZNQCLSA-N 0 3 307.394 2.119 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC001160131207 798652487 /nfs/dbraw/zinc/65/24/87/798652487.db2.gz HIBHHCZLJIKKDJ-HNNXBMFYSA-N 0 3 314.433 2.154 20 30 DEEDHN C=C(C)CCC(=O)N1CCCO[C@H](CNC/C=C\Cl)C1 ZINC001200620980 798656661 /nfs/dbraw/zinc/65/66/61/798656661.db2.gz GJDMLGWBOYSACL-NMNMAYGDSA-N 0 3 300.830 2.302 20 30 DEEDHN Cc1ccncc1CC(=O)NCCCNCc1ccccc1C#N ZINC001160204377 798662388 /nfs/dbraw/zinc/66/23/88/798662388.db2.gz VZMWGFOXSQAQQF-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001160217376 798662881 /nfs/dbraw/zinc/66/28/81/798662881.db2.gz VCOQZGQGEAZBFX-HNNXBMFYSA-N 0 3 321.852 2.459 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C(C)(C)C2CCCC2)CCCO1 ZINC001200704190 798670296 /nfs/dbraw/zinc/67/02/96/798670296.db2.gz ISDKEHRTDYTILT-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cc2cn3ccccc3n2)CC1 ZINC001160507717 798696443 /nfs/dbraw/zinc/69/64/43/798696443.db2.gz DFNIQEXOYZDIEV-UHFFFAOYSA-N 0 3 324.428 2.201 20 30 DEEDHN C#CCC1(C(=O)N2CCC(NCc3ocnc3C)CC2)CCC1 ZINC001200994215 798704449 /nfs/dbraw/zinc/70/44/49/798704449.db2.gz DDLUDXFLNZCGCT-UHFFFAOYSA-N 0 3 315.417 2.257 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ncccc2CC)CC1 ZINC001160559106 798705326 /nfs/dbraw/zinc/70/53/26/798705326.db2.gz DHYODBPRDHYFCP-UHFFFAOYSA-N 0 3 311.429 2.419 20 30 DEEDHN Cc1noc(C(=O)NCCCNCc2ccccc2C#N)c1C ZINC001160633221 798713379 /nfs/dbraw/zinc/71/33/79/798713379.db2.gz JBCXVINBSAUQEE-UHFFFAOYSA-N 0 3 312.373 2.073 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2ccsn2)c(F)c1 ZINC001160698411 798724327 /nfs/dbraw/zinc/72/43/27/798724327.db2.gz ZOASGNOACGZEPM-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](C)CC2CCCCC2)CCCO1 ZINC001201546891 798767662 /nfs/dbraw/zinc/76/76/62/798767662.db2.gz NQTLTYCUQUKVPX-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](CC)CC2CCCC2)CCCO1 ZINC001201548491 798768306 /nfs/dbraw/zinc/76/83/06/798768306.db2.gz XWQRGAMNSWBPTA-ZWKOTPCHSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](C)C2CCCC2)CCCO1 ZINC001201822445 798802698 /nfs/dbraw/zinc/80/26/98/798802698.db2.gz APCHIZJFYYLSJW-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@@H](C)C(C)(C)C)CCCO1 ZINC001201944059 798813888 /nfs/dbraw/zinc/81/38/88/798813888.db2.gz DGFMNSJSDYRKSV-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202085657 798825998 /nfs/dbraw/zinc/82/59/98/798825998.db2.gz XBPOXMMKCIUZNO-ZIAGYGMSSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC001202108204 798828152 /nfs/dbraw/zinc/82/81/52/798828152.db2.gz IEBPMCYVJBCLAK-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](CC)CCCCC)CCCO1 ZINC001202135013 798831211 /nfs/dbraw/zinc/83/12/11/798831211.db2.gz RURKPOQLEHRVHD-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C23CCC(CC2)CC3)CCCO1 ZINC001202141956 798832511 /nfs/dbraw/zinc/83/25/11/798832511.db2.gz UIELNCQWVOQWGB-HFCFLWKCSA-N 0 3 318.461 2.187 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202109259 798833371 /nfs/dbraw/zinc/83/33/71/798833371.db2.gz TWYNADDSTAULDQ-AWEZNQCLSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCCCC(=O)N1CCC(N[C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001202267125 798848301 /nfs/dbraw/zinc/84/83/01/798848301.db2.gz VSPGZMQIXBJYPV-ZDUSSCGKSA-N 0 3 319.453 2.365 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccc(C)nc2OC)CC1 ZINC001161404684 798848656 /nfs/dbraw/zinc/84/86/56/798848656.db2.gz CJTKPDKUNPMPLN-UHFFFAOYSA-N 0 3 315.417 2.337 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2nc(C)oc2C)CC1 ZINC001161549172 798881689 /nfs/dbraw/zinc/88/16/89/798881689.db2.gz YKYVQOTYNBBXAB-UHFFFAOYSA-N 0 3 301.390 2.067 20 30 DEEDHN N#CCc1cccc([N-]S(=O)(=O)c2ccc(C[NH3+])cc2)c1F ZINC001161748342 798928395 /nfs/dbraw/zinc/92/83/95/798928395.db2.gz NIPBCBGESUHZIB-UHFFFAOYSA-N 0 3 319.361 2.151 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccc(OC)cc2)CC1 ZINC001161762955 798932226 /nfs/dbraw/zinc/93/22/26/798932226.db2.gz GGCFWKIKMNDQAI-UHFFFAOYSA-N 0 3 312.413 2.471 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCC[C@@H](C)O)CCC1 ZINC001110652860 798946195 /nfs/dbraw/zinc/94/61/95/798946195.db2.gz YBRKZVAFMHBICS-VQHPVUNQSA-N 0 3 318.461 2.063 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2c(C)onc2CC)CC1 ZINC001161852953 798949485 /nfs/dbraw/zinc/94/94/85/798949485.db2.gz ATWLNZSKNGTYGP-UHFFFAOYSA-N 0 3 303.406 2.483 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@]23C[C@H]2CCC3)(COC)CC1 ZINC001162362548 799071624 /nfs/dbraw/zinc/07/16/24/799071624.db2.gz LJCUPPKPPZXSNS-VQIMIIECSA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(CCC)CCC2)(COC)CC1 ZINC001162424086 799084907 /nfs/dbraw/zinc/08/49/07/799084907.db2.gz OICDAKBSGNPFTG-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc2ccc(C)cn21 ZINC001162474792 799097005 /nfs/dbraw/zinc/09/70/05/799097005.db2.gz PZVIVVWHQGTKAL-UHFFFAOYSA-N 0 3 306.797 2.105 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2CCC)(COC)CC1 ZINC001162476754 799098593 /nfs/dbraw/zinc/09/85/93/799098593.db2.gz FPTUFBDBDKTFEO-IAGOWNOFSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CC23CCCC3)(COC)CC1 ZINC001162563688 799118509 /nfs/dbraw/zinc/11/85/09/799118509.db2.gz LZICIJOHCUKJOE-MRXNPFEDSA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(C)cc2)(COC)CC1 ZINC001162585382 799124272 /nfs/dbraw/zinc/12/42/72/799124272.db2.gz HXEVQOLMKMKHER-UHFFFAOYSA-N 0 3 314.429 2.087 20 30 DEEDHN C=CCNC(=O)c1ccc(-n2c3ccccc3nc2[C@H](C)N)nc1 ZINC001162764415 799168852 /nfs/dbraw/zinc/16/88/52/799168852.db2.gz XRWGLGHCERAAEU-LBPRGKRZSA-N 0 3 321.384 2.356 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC[C@H](C)OC ZINC001162774190 799171301 /nfs/dbraw/zinc/17/13/01/799171301.db2.gz VRENZAPUVSHCAE-KRWDZBQOSA-N 0 3 316.445 2.096 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)C1(C2CC2)CC1 ZINC001162836252 799185818 /nfs/dbraw/zinc/18/58/18/799185818.db2.gz DHOLSZKCZLZDSO-UHFFFAOYSA-N 0 3 310.441 2.471 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CC(C)(F)F ZINC001162919153 799201911 /nfs/dbraw/zinc/20/19/11/799201911.db2.gz NLXKTVPQRMHDMP-UHFFFAOYSA-N 0 3 308.372 2.326 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)Cc1occc1C ZINC001162923857 799202709 /nfs/dbraw/zinc/20/27/09/799202709.db2.gz ATWIJBBURIZPPM-UHFFFAOYSA-N 0 3 324.424 2.425 20 30 DEEDHN N#Cc1cccc2c(N[C@H]3CN4CCC3CC4)nc(Cl)nc12 ZINC001163385608 799329807 /nfs/dbraw/zinc/32/98/07/799329807.db2.gz DUYXEVTVGAHPNR-ZDUSSCGKSA-N 0 3 313.792 2.083 20 30 DEEDHN CN(C)Cc1ccnc(N2CCN(c3ccccc3C#N)CC2)c1 ZINC001163617467 799388937 /nfs/dbraw/zinc/38/89/37/799388937.db2.gz JZEATKLHXDCYSE-UHFFFAOYSA-N 0 3 321.428 2.341 20 30 DEEDHN CCc1onc(C)c1CNCC1(CCNC(=O)[C@H](C)C#N)CC1 ZINC001163830463 799441831 /nfs/dbraw/zinc/44/18/31/799441831.db2.gz GHPWCQJYDXLITI-GFCCVEGCSA-N 0 3 318.421 2.081 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CCOC2)CC1 ZINC001163905846 799455014 /nfs/dbraw/zinc/45/50/14/799455014.db2.gz WHQICVHSRSUNGY-CYBMUJFWSA-N 0 3 300.830 2.042 20 30 DEEDHN C[C@H](C(=O)NCCCNCc1ccccc1C#N)C(F)(F)F ZINC001164080424 799504128 /nfs/dbraw/zinc/50/41/28/799504128.db2.gz IRIGWAIRNYNLFC-LLVKDONJSA-N 0 3 313.323 2.353 20 30 DEEDHN Cc1cnc(-n2cnc3c2CNCC3)c(C#C[Si](C)(C)C)c1 ZINC001164316665 799569651 /nfs/dbraw/zinc/56/96/51/799569651.db2.gz MMLYJEWETFMUOA-UHFFFAOYSA-N 0 3 310.477 2.450 20 30 DEEDHN CCCCCCC[NH2+]CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001164436624 799597406 /nfs/dbraw/zinc/59/74/06/799597406.db2.gz LKHIHAHLESRINM-UHFFFAOYSA-N 0 3 308.426 2.171 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(OC)cc1C)C2 ZINC001095464910 799611194 /nfs/dbraw/zinc/61/11/94/799611194.db2.gz YTSISBKZWGIDLY-NJAFHUGGSA-N 0 3 314.429 2.454 20 30 DEEDHN CN(C)C1(C)CN(C(F)(F)c2cnc(Cl)c(C#N)c2)C1 ZINC001165117200 799654125 /nfs/dbraw/zinc/65/41/25/799654125.db2.gz BPXSBQWPLIJQOF-UHFFFAOYSA-N 0 3 300.740 2.292 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cn(C)nc2CC)CC1 ZINC001165638003 799755913 /nfs/dbraw/zinc/75/59/13/799755913.db2.gz QZSYYJRKZAOGSH-UHFFFAOYSA-N 0 3 324.856 2.225 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccc(OC)nc2)CC1 ZINC001166060156 799821793 /nfs/dbraw/zinc/82/17/93/799821793.db2.gz IRMNFLCEVMCGIB-UHFFFAOYSA-N 0 3 323.824 2.332 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(OC)ccn2)CC1 ZINC001166518204 799881029 /nfs/dbraw/zinc/88/10/29/799881029.db2.gz DHIAESGRNLBJDB-UHFFFAOYSA-N 0 3 323.824 2.332 20 30 DEEDHN C#CCOc1ccccc1CNC(=O)[C@H]1CCCN1C(C)C ZINC000932880865 799958371 /nfs/dbraw/zinc/95/83/71/799958371.db2.gz ROFZAEVPTJUZGB-MRXNPFEDSA-N 0 3 300.402 2.188 20 30 DEEDHN C[C@@H](C(=O)NCCCNCc1ccccc1C#N)C(C)(F)F ZINC001166858333 799966773 /nfs/dbraw/zinc/96/67/73/799966773.db2.gz PYKUDIYYXAIQLE-LBPRGKRZSA-N 0 3 309.360 2.445 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@@H]([C@@H]2CCCO2)C1 ZINC000933183411 800034056 /nfs/dbraw/zinc/03/40/56/800034056.db2.gz PSHFPGGTQMNCQO-KFWWJZLASA-N 0 3 308.422 2.359 20 30 DEEDHN Cc1cccc([C@@H](O)CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933644090 800146765 /nfs/dbraw/zinc/14/67/65/800146765.db2.gz JTJSIQCJESXGOE-KRWDZBQOSA-N 0 3 301.386 2.366 20 30 DEEDHN N#CC1(CCCN2CCOC[C@H]2C[C@H]2CCCO2)CCOCC1 ZINC000933682224 800162297 /nfs/dbraw/zinc/16/22/97/800162297.db2.gz BRUUTBXVGXYDDS-IAGOWNOFSA-N 0 3 322.449 2.357 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@H](OCC(=O)OC)C2)cc1 ZINC001204306686 800203116 /nfs/dbraw/zinc/20/31/16/800203116.db2.gz XFLDUVBJLINPNF-INIZCTEOSA-N 0 3 305.374 2.015 20 30 DEEDHN CN1CCN(Cc2ccc(Nc3cccnc3C#N)cc2)CC1 ZINC001204724410 800250255 /nfs/dbraw/zinc/25/02/55/800250255.db2.gz IHYLWPNQJPFULI-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnn(CC)c1)C2 ZINC001205529113 800370308 /nfs/dbraw/zinc/37/03/08/800370308.db2.gz WTQXSKNTBAUGJL-QZTJIDSGSA-N 0 3 319.449 2.477 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000934671030 800420575 /nfs/dbraw/zinc/42/05/75/800420575.db2.gz UPLYLHZLFBOJOC-JKIFEVAISA-N 0 3 323.437 2.294 20 30 DEEDHN C=CCCCC(=O)N1CCC(CN[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001206105108 800473641 /nfs/dbraw/zinc/47/36/41/800473641.db2.gz HQFOWBUAYHJHMQ-CYBMUJFWSA-N 0 3 319.453 2.359 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001206912721 800624931 /nfs/dbraw/zinc/62/49/31/800624931.db2.gz ZKCQNCQSYAYVOR-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cncc(F)c3)C2)C1=O ZINC001207021011 800658522 /nfs/dbraw/zinc/65/85/22/800658522.db2.gz SFPNYHVDTDSOBH-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccc(=O)[nH]1)C2 ZINC001207068766 800673001 /nfs/dbraw/zinc/67/30/01/800673001.db2.gz OKEGMFGNRUZBEI-AEFFLSMTSA-N 0 3 318.417 2.361 20 30 DEEDHN O=C(c1ccc[nH]1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207288612 800724958 /nfs/dbraw/zinc/72/49/58/800724958.db2.gz SRIZLPYOEFKLRQ-QGZVFWFLSA-N 0 3 307.397 2.261 20 30 DEEDHN N#CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCSCC1 ZINC000935662780 800726228 /nfs/dbraw/zinc/72/62/28/800726228.db2.gz KEDXKWWORZQBBY-CQSZACIVSA-N 0 3 307.463 2.156 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000935678685 800733169 /nfs/dbraw/zinc/73/31/69/800733169.db2.gz SXOQPIWAPCGWIT-UHFFFAOYSA-N 0 3 315.417 2.419 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C1(C#N)CCSCC1 ZINC000935725383 800748101 /nfs/dbraw/zinc/74/81/01/800748101.db2.gz 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/nfs/dbraw/zinc/98/54/31/800985431.db2.gz DJPROYKZUNVYLO-UKRRQHHQSA-N 0 3 320.437 2.103 20 30 DEEDHN CC(C)NC(=O)N[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC001208928825 801095887 /nfs/dbraw/zinc/09/58/87/801095887.db2.gz LZIWECBVRDMMAI-KRWDZBQOSA-N 0 3 314.433 2.273 20 30 DEEDHN Cc1nccnc1O[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC001208929871 801095977 /nfs/dbraw/zinc/09/59/77/801095977.db2.gz WFSOJUJWXYYYDY-QGZVFWFLSA-N 0 3 308.385 2.353 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001208953854 801100726 /nfs/dbraw/zinc/10/07/26/801100726.db2.gz AIDYKUVCURSERX-GDBMZVCRSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCCCCCC(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001209004852 801110823 /nfs/dbraw/zinc/11/08/23/801110823.db2.gz QKGFZWNUANZFLC-INIZCTEOSA-N 0 3 316.449 2.084 20 30 DEEDHN O=C(CCCF)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209087272 801127382 /nfs/dbraw/zinc/12/73/82/801127382.db2.gz VDTWFRVVYZMSCZ-KRWDZBQOSA-N 0 3 302.393 2.368 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001209146325 801135986 /nfs/dbraw/zinc/13/59/86/801135986.db2.gz NOPDGQUFFLBHNA-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCN1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001209162465 801139886 /nfs/dbraw/zinc/13/98/86/801139886.db2.gz ZKNWMPAHPKESQB-RCCFBDPRSA-N 0 3 319.449 2.488 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c(C)noc2C)C1 ZINC001209254683 801160146 /nfs/dbraw/zinc/16/01/46/801160146.db2.gz OJJMJDXSSZSQAK-OGHNNQOOSA-N 0 3 319.449 2.483 20 30 DEEDHN C=CCCCCCCN1CCN(c2ncccc2C(N)=O)CC1 ZINC001209440683 801191931 /nfs/dbraw/zinc/19/19/31/801191931.db2.gz NZZSJPRSPGRTSC-UHFFFAOYSA-N 0 3 316.449 2.439 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001229826121 801325652 /nfs/dbraw/zinc/32/56/52/801325652.db2.gz YDCHSIBWSCEOJY-SJLPKXTDSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001210328689 801378475 /nfs/dbraw/zinc/37/84/75/801378475.db2.gz QFJXHWPNHPIFSP-MAUKXSAKSA-N 0 3 323.481 2.086 20 30 DEEDHN Cc1conc1C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001210493991 801412661 /nfs/dbraw/zinc/41/26/61/801412661.db2.gz QIGONKYJZUZRCB-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001210688370 801446636 /nfs/dbraw/zinc/44/66/36/801446636.db2.gz OROJSOBKTBXUOD-SOLBZPMBSA-N 0 3 316.445 2.429 20 30 DEEDHN C#CCCN(CCCNC(=O)c1[nH]ccc1C)Cc1cccnc1 ZINC001230747762 801482236 /nfs/dbraw/zinc/48/22/36/801482236.db2.gz HQBMSNXCTTYLSH-UHFFFAOYSA-N 0 3 324.428 2.364 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001210931650 801488928 /nfs/dbraw/zinc/48/89/28/801488928.db2.gz VQLWHVWYDRAVRA-HZPDHXFCSA-N 0 3 302.418 2.305 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001210948867 801491105 /nfs/dbraw/zinc/49/11/05/801491105.db2.gz MPODYLBQKHYSAT-IAGOWNOFSA-N 0 3 314.429 2.142 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)COc2ccccc2Cl)C1 ZINC001210979393 801495789 /nfs/dbraw/zinc/49/57/89/801495789.db2.gz HCPLMIMVOMMWGX-TZMCWYRMSA-N 0 3 308.809 2.341 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CC(C2CC2)C2CC2)C1 ZINC001211386786 801558177 /nfs/dbraw/zinc/55/81/77/801558177.db2.gz FVMWRDQKVSSUHL-RDTXWAMCSA-N 0 3 320.477 2.452 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1C ZINC001231070290 801569826 /nfs/dbraw/zinc/56/98/26/801569826.db2.gz LFEFTOFXZFYLPL-OAHLLOKOSA-N 0 3 304.438 2.313 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCc2ccccc2)[C@H](OC)C1 ZINC001213372779 801601513 /nfs/dbraw/zinc/60/15/13/801601513.db2.gz SYFNYUGMERHMQG-QZTJIDSGSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CC[C@H](C)F)C[C@H]2OC)CC1 ZINC001213395339 801602915 /nfs/dbraw/zinc/60/29/15/801602915.db2.gz XZNGKQXOBPVFEC-RRFJBIMHSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CC)OC2CCCC2)[C@H](OC)C1 ZINC001213506167 801616394 /nfs/dbraw/zinc/61/63/94/801616394.db2.gz FGNDERPWPJGINY-IXDOHACOSA-N 0 3 324.465 2.116 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](OC)C1 ZINC001213800007 801643140 /nfs/dbraw/zinc/64/31/40/801643140.db2.gz KWWHZFLDTRRLQF-VXGBXAGGSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCCc2cccs2)[C@H](OC)C1 ZINC001213824885 801645608 /nfs/dbraw/zinc/64/56/08/801645608.db2.gz ATPIVWSORINOKG-HZPDHXFCSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001213959459 801658266 /nfs/dbraw/zinc/65/82/66/801658266.db2.gz LPRNPAHJIKPAEX-PIIXRYACSA-N 0 3 324.465 2.141 20 30 DEEDHN CCN(CCN1CCOCC1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116919 801796697 /nfs/dbraw/zinc/79/66/97/801796697.db2.gz RVAHHQRKRSIBHN-UHFFFAOYSA-N 0 3 307.825 2.366 20 30 DEEDHN N#Cc1ccc(-c2noc(-c3cc4c(s3)CCNC4)n2)nc1 ZINC001217294533 802064866 /nfs/dbraw/zinc/06/48/66/802064866.db2.gz DRTNTYZCBIBRGP-UHFFFAOYSA-N 0 3 309.354 2.377 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3cc(F)c[nH]3)[C@H]2C1 ZINC001218305367 802166057 /nfs/dbraw/zinc/16/60/57/802166057.db2.gz FLPZYGFOJXIQGK-UHOFOFEASA-N 0 3 321.396 2.034 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)C3(CCF)CC3)[C@H]2C1 ZINC001218363211 802172419 /nfs/dbraw/zinc/17/24/19/802172419.db2.gz LKCPNNIKIVWJAS-OWCLPIDISA-N 0 3 324.440 2.393 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1N ZINC001233819791 802214822 /nfs/dbraw/zinc/21/48/22/802214822.db2.gz PQVMVCFLNPNNKI-AWEZNQCLSA-N 0 3 321.469 2.119 20 30 DEEDHN C[C@@H]1CCN[C@H](C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)C1 ZINC001218659974 802224277 /nfs/dbraw/zinc/22/42/77/802224277.db2.gz YWQBLCSZYBCELD-KCJUWKMLSA-N 0 3 312.295 2.299 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1C[C@H](OC)C1CCC1 ZINC001233948323 802249850 /nfs/dbraw/zinc/24/98/50/802249850.db2.gz UYQXKCIOPUCGQQ-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CC/C=C\c2ccccc2)C[C@@H]1O ZINC001219344833 802314127 /nfs/dbraw/zinc/31/41/27/802314127.db2.gz XLFWJAORRLQCET-GCNOGIOXSA-N 0 3 314.429 2.217 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@H]1CCN1CCCCCC=C ZINC001234246294 802334291 /nfs/dbraw/zinc/33/42/91/802334291.db2.gz LQRZVHYDUADYIK-QGZVFWFLSA-N 0 3 306.450 2.305 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001234245475 802334797 /nfs/dbraw/zinc/33/47/97/802334797.db2.gz APUNYDQGKMLFLT-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)C2CCC2)[C@@H](O)C1 ZINC001219863008 802383024 /nfs/dbraw/zinc/38/30/24/802383024.db2.gz XKSJYHIBZQSLQJ-OIISXLGYSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H](O)C1 ZINC001219880063 802388098 /nfs/dbraw/zinc/38/80/98/802388098.db2.gz XETCELKCGMCXHR-ISXWCOSWSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC(C)(F)F)[C@@H](O)C1 ZINC001219899284 802388629 /nfs/dbraw/zinc/38/86/29/802388629.db2.gz YTPPNNBGGKFPTR-KGLIPLIRSA-N 0 3 318.408 2.330 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)C1Cc2ccccc2C1)c1cccc(C#N)c1 ZINC001220046970 802405069 /nfs/dbraw/zinc/40/50/69/802405069.db2.gz LRZCOMXYBXUQEZ-DJJJIMSYSA-N 0 3 319.408 2.478 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@@H]1O ZINC001220141351 802414872 /nfs/dbraw/zinc/41/48/72/802414872.db2.gz PNAOPUCRZPJICN-UAGQMJEPSA-N 0 3 316.445 2.430 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)C(F)(F)F)[C@@H](O)C1 ZINC001220156529 802417217 /nfs/dbraw/zinc/41/72/17/802417217.db2.gz YNTUUZNXNOVKIK-XQQFMLRXSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001234563901 802417506 /nfs/dbraw/zinc/41/75/06/802417506.db2.gz ZRAUSNBPXFOJFP-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccnc2[nH]cnc21 ZINC001234615321 802432791 /nfs/dbraw/zinc/43/27/91/802432791.db2.gz ZODIZQYJWBVODD-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001220929066 802513118 /nfs/dbraw/zinc/51/31/18/802513118.db2.gz VBFVEWWIAMUOOM-YUELXQCFSA-N 0 3 322.474 2.495 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H]1CN(CCC(=C)C)C[C@@H]1O)c1ccccc1 ZINC001221048010 802524359 /nfs/dbraw/zinc/52/43/59/802524359.db2.gz BKBHGMUIDOANGZ-KURKYZTESA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)/C=C(/C)C3CC3)[C@@H]2C1 ZINC001221325921 802556321 /nfs/dbraw/zinc/55/63/21/802556321.db2.gz DPZCTHZVZYPBRR-ZJCQAOIJSA-N 0 3 304.434 2.078 20 30 DEEDHN C=CC[C@@H](NC(=O)[C@@H](N)C1CCC(O)CC1)c1ccccc1 ZINC001221360452 802559578 /nfs/dbraw/zinc/55/95/78/802559578.db2.gz JFRBDFIDYNDSCZ-BACDZXNISA-N 0 3 302.418 2.298 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](OCC)C3CCCC3)[C@@H]2C1 ZINC001221720158 802606845 /nfs/dbraw/zinc/60/68/45/802606845.db2.gz VGUXIKOKZBYFBT-KZNAEPCWSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001221735795 802608615 /nfs/dbraw/zinc/60/86/15/802608615.db2.gz WVKPKKOFMKEBGG-RCCFBDPRSA-N 0 3 318.461 2.468 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCCOCC)C[C@H]32)C1 ZINC001221803850 802616593 /nfs/dbraw/zinc/61/65/93/802616593.db2.gz SQIZOSWIQMLPKO-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN CCCCCCCN1CC[C@@H]2CN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001222103082 802643665 /nfs/dbraw/zinc/64/36/65/802643665.db2.gz NPQXEFLXVQEISB-HUUCEWRRSA-N 0 3 320.437 2.495 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)COCC3CCCC3)C[C@@H]21 ZINC001222912845 802749001 /nfs/dbraw/zinc/74/90/01/802749001.db2.gz GBKMNHZJLVNKIU-SJORKVTESA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2sc(C)nc2C)CC1 ZINC001223872641 802820074 /nfs/dbraw/zinc/82/00/74/802820074.db2.gz HLDJVMFHARIYBO-UHFFFAOYSA-N 0 3 319.474 2.154 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001223957484 802825801 /nfs/dbraw/zinc/82/58/01/802825801.db2.gz AMERJYKDHJLHOK-SFHVURJKSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cccc(Cl)c2)CC1 ZINC001224276471 802854033 /nfs/dbraw/zinc/85/40/33/802854033.db2.gz DZLCWIMEDFYUMI-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001225291494 802951268 /nfs/dbraw/zinc/95/12/68/802951268.db2.gz CJOXBGPXPKOVGI-KRWDZBQOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)/C=C/c2ccco2)CC1 ZINC001225866093 803022521 /nfs/dbraw/zinc/02/25/21/803022521.db2.gz BLULXAWBFSUQRS-AATRIKPKSA-N 0 3 304.390 2.076 20 30 DEEDHN C#CCCCC(=O)NC1CCN(CCc2scnc2C)CC1 ZINC001227085062 803197749 /nfs/dbraw/zinc/19/77/49/803197749.db2.gz WFJKKXQZQRDYLY-UHFFFAOYSA-N 0 3 319.474 2.378 20 30 DEEDHN O=C(C#CC1CC1)NC1CCN(CCOc2ccccc2)CC1 ZINC001227273027 803225158 /nfs/dbraw/zinc/22/51/58/803225158.db2.gz MFNGWRFZHFLSNZ-UHFFFAOYSA-N 0 3 312.413 2.059 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2ccccc2)CC1 ZINC001227995255 803303497 /nfs/dbraw/zinc/30/34/97/803303497.db2.gz IHDVHPGSUGZQGE-UHFFFAOYSA-N 0 3 302.418 2.012 20 30 DEEDHN C#CC1(F)CN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001228118971 803320898 /nfs/dbraw/zinc/32/08/98/803320898.db2.gz KBEFDDNJWMSXHS-MRXNPFEDSA-N 0 3 315.392 2.018 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncn1C ZINC001228270437 803336743 /nfs/dbraw/zinc/33/67/43/803336743.db2.gz PUICJEBMRMXRTI-HZPDHXFCSA-N 0 3 304.438 2.293 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228801381 803414729 /nfs/dbraw/zinc/41/47/29/803414729.db2.gz NEYDUDRYHVFXPZ-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)COc1ccc2ccccc2c1 ZINC001327994089 1148695219 /nfs/dbraw/zinc/69/52/19/1148695219.db2.gz ZRPOURRRERZKTM-IAGOWNOFSA-N 0 3 301.386 2.370 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@H](C)CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001334364729 1150284953 /nfs/dbraw/zinc/28/49/53/1150284953.db2.gz CKQULMHHJUPXSN-GDBMZVCRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001418409418 1167634073 /nfs/dbraw/zinc/63/40/73/1167634073.db2.gz ZPVBSPGJDHIQCF-WCQYABFASA-N 0 3 324.856 2.316 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(N(C)CC(=O)NCCC)CC1 ZINC001331038787 1149366670 /nfs/dbraw/zinc/36/66/70/1149366670.db2.gz KMOPGOWVOHGBLK-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001370211926 1149424710 /nfs/dbraw/zinc/42/47/10/1149424710.db2.gz KEYVIDDSWBAWDT-LKTVYLICSA-N 0 3 303.431 2.260 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C3(CCC)CC3)CC2)C1 ZINC001328130827 1148727387 /nfs/dbraw/zinc/72/73/87/1148727387.db2.gz XYHFCUVPTVRBPV-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](OCC)C1CCCC1 ZINC001327239310 1148402645 /nfs/dbraw/zinc/40/26/45/1148402645.db2.gz LWXOIRMAWQNDLE-QGZVFWFLSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)OCc1ccccc1C ZINC001327237473 1148402693 /nfs/dbraw/zinc/40/26/93/1148402693.db2.gz ADPCLNKAAKCAAN-KRWDZBQOSA-N 0 3 316.445 2.314 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC001574962442 1069310894 /nfs/dbraw/zinc/31/08/94/1069310894.db2.gz LPIKEYJILDEREU-NWDGAFQWSA-N 0 3 301.415 2.084 20 30 DEEDHN CC#CC[C@H](N)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001574970675 1069314624 /nfs/dbraw/zinc/31/46/24/1069314624.db2.gz XYVYIFNHAWLQNT-JSGCOSHPSA-N 0 3 320.462 2.054 20 30 DEEDHN C#CCSCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001343941665 1150786056 /nfs/dbraw/zinc/78/60/56/1150786056.db2.gz WQPZXMRRMLANDG-QMTHXVAHSA-N 0 3 311.334 2.442 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NC/C=C\c2ccccc2)C1 ZINC001331787999 1149683492 /nfs/dbraw/zinc/68/34/92/1149683492.db2.gz NYABJZRAVHQCKA-UXHZXRBQSA-N 0 3 314.429 2.123 20 30 DEEDHN COc1cccc(CNCCNc2ncccc2C#N)c1F ZINC001344601186 1150831511 /nfs/dbraw/zinc/83/15/11/1150831511.db2.gz ZCUOSIRMCKNCQK-UHFFFAOYSA-N 0 3 300.337 2.303 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CO)cc2)CC1 ZINC001345401888 1150887389 /nfs/dbraw/zinc/88/73/89/1150887389.db2.gz AUOWWJMOJUDXBV-UHFFFAOYSA-N 0 3 303.406 2.341 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001331870652 1149738497 /nfs/dbraw/zinc/73/84/97/1149738497.db2.gz SFTHXSKLZGKWCU-MNOVXSKESA-N 0 3 307.221 2.087 20 30 DEEDHN Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C#N)C2)cc(Cl)n1 ZINC001522743452 1069451774 /nfs/dbraw/zinc/45/17/74/1069451774.db2.gz CBYCTBBNBVTXAW-WCQYABFASA-N 0 3 306.797 2.196 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001523247952 1069606108 /nfs/dbraw/zinc/60/61/08/1069606108.db2.gz NCVGFCRNFPPPHS-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001602762968 1069749583 /nfs/dbraw/zinc/74/95/83/1069749583.db2.gz QJGVJIKKVRKCRK-UHFFFAOYSA-N 0 3 319.438 2.084 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc[nH]c2CCC)CC1 ZINC001328543464 1148808532 /nfs/dbraw/zinc/80/85/32/1148808532.db2.gz VYCAUIRWSXDPJO-UHFFFAOYSA-N 0 3 319.449 2.100 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001527383221 1070467655 /nfs/dbraw/zinc/46/76/55/1070467655.db2.gz DWJITJVEQRVFJU-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001368546236 1148488088 /nfs/dbraw/zinc/48/80/88/1148488088.db2.gz CZNDKSKGCSARJW-DZKIICNBSA-N 0 3 314.433 2.349 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001531596738 1071542156 /nfs/dbraw/zinc/54/21/56/1071542156.db2.gz NHBSAJOTDVVONG-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC001499997650 1058420884 /nfs/dbraw/zinc/42/08/84/1058420884.db2.gz NXGSKUJCKIUJMZ-CQSZACIVSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)CCCC(=O)N(CC)CC)CC1 ZINC001500002285 1058423815 /nfs/dbraw/zinc/42/38/15/1058423815.db2.gz GOWSPNREFRVSIH-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCN(C(=O)C[C@](C)(O)C=C)C1CCN(CC=C(C)C)CC1 ZINC001500034745 1058445952 /nfs/dbraw/zinc/44/59/52/1058445952.db2.gz UGWYDHKFHHVUFR-LJQANCHMSA-N 0 3 318.461 2.206 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C1CCN(CCO)CC1 ZINC001500061008 1058460507 /nfs/dbraw/zinc/46/05/07/1058460507.db2.gz XVOGEGZKYDQFAK-DLBZAZTESA-N 0 3 320.477 2.121 20 30 DEEDHN CC1(C)[C@H]2[C@H](CCCN2C[C@@H](O)c2cccc(C#N)c2)[C@@H]1O ZINC001460619204 1058478422 /nfs/dbraw/zinc/47/84/22/1058478422.db2.gz NOANMQWITCOIMD-HZMVEIRTSA-N 0 3 300.402 2.073 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001500428478 1058774957 /nfs/dbraw/zinc/77/49/57/1058774957.db2.gz GQBCDOPJIRMFNL-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC001500436805 1058782540 /nfs/dbraw/zinc/78/25/40/1058782540.db2.gz YQYLBADDYYOQHZ-UHFFFAOYSA-N 0 3 324.428 2.336 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001500489072 1058842218 /nfs/dbraw/zinc/84/22/18/1058842218.db2.gz NIIXCWJTTHQYQA-WMZOPIPTSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cncc(CC)c2)C1 ZINC001500508698 1058872235 /nfs/dbraw/zinc/87/22/35/1058872235.db2.gz NFFVLILWOLWWOQ-IBGZPJMESA-N 0 3 313.445 2.499 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001500508597 1058873182 /nfs/dbraw/zinc/87/31/82/1058873182.db2.gz KMRVJFKOERLAOD-LPHOPBHVSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)COC)C1 ZINC001500512009 1058880223 /nfs/dbraw/zinc/88/02/23/1058880223.db2.gz OPAHMYSAODNJOO-SFHVURJKSA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001500546872 1058912981 /nfs/dbraw/zinc/91/29/81/1058912981.db2.gz JJUAZGHSRYATLA-LPHOPBHVSA-N 0 3 313.445 2.427 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](CC)OCC)C2)CC1 ZINC001501016634 1059204474 /nfs/dbraw/zinc/20/44/74/1059204474.db2.gz YVADHLRDYQUYRJ-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ncccn1)c1ccccc1CC ZINC001501023181 1059211695 /nfs/dbraw/zinc/21/16/95/1059211695.db2.gz UQKYJHJXRBITFK-QGZVFWFLSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H](CC)SC ZINC001501193388 1059361185 /nfs/dbraw/zinc/36/11/85/1059361185.db2.gz BDVRCVRVPOSLCZ-INIZCTEOSA-N 0 3 304.459 2.380 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[C@@H](C)OC)C1 ZINC001501558441 1059545776 /nfs/dbraw/zinc/54/57/76/1059545776.db2.gz BOQYUECVTPHXSP-ZIAGYGMSSA-N 0 3 302.846 2.382 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCn2cccn2)cc1 ZINC001501672299 1059624420 /nfs/dbraw/zinc/62/44/20/1059624420.db2.gz DFZAZLQCNZZVHI-MRXNPFEDSA-N 0 3 324.428 2.264 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)ncn2)cc1 ZINC001501672946 1059627199 /nfs/dbraw/zinc/62/71/99/1059627199.db2.gz KMEGJHHUBANLEX-HNNXBMFYSA-N 0 3 322.412 2.389 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cnn(CC)c2C)cc1 ZINC001501681709 1059632035 /nfs/dbraw/zinc/63/20/35/1059632035.db2.gz PCVDUSIYBYONEK-CQSZACIVSA-N 0 3 324.428 2.425 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)CCO1 ZINC001502094117 1059924133 /nfs/dbraw/zinc/92/41/33/1059924133.db2.gz ARYHOBAVISHFEX-VNCLNFNDSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N2CCN(CC(C)C)CC2)C1 ZINC001502101387 1059931379 /nfs/dbraw/zinc/93/13/79/1059931379.db2.gz AISMRACNEOEXBI-ROUUACIJSA-N 0 3 321.509 2.463 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](NC(=O)C#CC3CC3)CC2)cc1 ZINC001502121731 1059961187 /nfs/dbraw/zinc/96/11/87/1059961187.db2.gz RHCZGHFGGIHCKY-LJQANCHMSA-N 0 3 321.424 2.442 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001502125081 1059967948 /nfs/dbraw/zinc/96/79/48/1059967948.db2.gz ZPUNKVFEQGOOAP-IEBWSBKVSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)Cc1ccsc1 ZINC001502177648 1060038988 /nfs/dbraw/zinc/03/89/88/1060038988.db2.gz AESWJZFZWASORB-MRXNPFEDSA-N 0 3 310.463 2.356 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC001502572743 1060183843 /nfs/dbraw/zinc/18/38/43/1060183843.db2.gz ANURGQISDXVCLD-LJQANCHMSA-N 0 3 320.477 2.313 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC001502846306 1060354664 /nfs/dbraw/zinc/35/46/64/1060354664.db2.gz YQOIHRWLZOCHTC-MRXNPFEDSA-N 0 3 307.482 2.073 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@@H](C)C1 ZINC001502905325 1060382846 /nfs/dbraw/zinc/38/28/46/1060382846.db2.gz AFXLSWJJKGMYEM-DZGCQCFKSA-N 0 3 308.447 2.420 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(CCOCC2CC2)[C@H](C)C1 ZINC001502924625 1060400119 /nfs/dbraw/zinc/40/01/19/1060400119.db2.gz ZBFIZQWBJSPJST-WBVHZDCISA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)COCCC)CC2)C1 ZINC001503723617 1060463211 /nfs/dbraw/zinc/46/32/11/1060463211.db2.gz OTLGRWQGGOGADP-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)CCn1cccn1 ZINC001505442425 1060605413 /nfs/dbraw/zinc/60/54/13/1060605413.db2.gz WUPUQJMAVAECMV-OAHLLOKOSA-N 0 3 304.438 2.018 20 30 DEEDHN C=CCOCC(=O)N1CCC([C@H]2CCCN(CCF)C2)CC1 ZINC001505474563 1060642447 /nfs/dbraw/zinc/64/24/47/1060642447.db2.gz BRDFAXBSMXUTPK-INIZCTEOSA-N 0 3 312.429 2.109 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cccc3nccn32)C1 ZINC001505507089 1060667011 /nfs/dbraw/zinc/66/70/11/1060667011.db2.gz XBVORGARMZUGIM-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001505521984 1060676959 /nfs/dbraw/zinc/67/69/59/1060676959.db2.gz QAUIFABFIRONEB-MCIGGMRASA-N 0 3 313.239 2.180 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)CC(F)(F)F ZINC001505568908 1060719507 /nfs/dbraw/zinc/71/95/07/1060719507.db2.gz BEHJOPHHWOUYHD-CHWSQXEVSA-N 0 3 312.335 2.473 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1cscn1 ZINC001505575583 1060730344 /nfs/dbraw/zinc/73/03/44/1060730344.db2.gz PHNULLGCDWMPSJ-ZIAGYGMSSA-N 0 3 313.426 2.291 20 30 DEEDHN C=C(C)COCCNCc1ccccc1O[C@H](C)C(=O)OC ZINC001474065136 1060807386 /nfs/dbraw/zinc/80/73/86/1060807386.db2.gz JYFGGWIFRCMUQI-CQSZACIVSA-N 0 3 307.390 2.309 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1CC[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001479449080 1061460983 /nfs/dbraw/zinc/46/09/83/1061460983.db2.gz MXRORROVPWDZEE-OWCLPIDISA-N 0 3 314.433 2.072 20 30 DEEDHN C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)C(C)C)n1 ZINC001479604282 1061517088 /nfs/dbraw/zinc/51/70/88/1061517088.db2.gz KHNZHHBLMKOBMA-UHFFFAOYSA-N 0 3 320.437 2.146 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccccc2CC)C1 ZINC001479660087 1061575451 /nfs/dbraw/zinc/57/54/51/1061575451.db2.gz RDZIGIGYZUCYAO-KRWDZBQOSA-N 0 3 316.445 2.334 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001479680235 1061591459 /nfs/dbraw/zinc/59/14/59/1061591459.db2.gz OPKNZLWCDGFSQE-QAQDUYKDSA-N 0 3 308.466 2.243 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cncc(C)c1 ZINC001479736861 1061664699 /nfs/dbraw/zinc/66/46/99/1061664699.db2.gz XLICVBBMHLEEQS-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2cc(C)on2)CC(C)(C)C1 ZINC001479746273 1061676072 /nfs/dbraw/zinc/67/60/72/1061676072.db2.gz SDPURUNDNYOVPK-MRXNPFEDSA-N 0 3 317.433 2.156 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001479809957 1061820918 /nfs/dbraw/zinc/82/09/18/1061820918.db2.gz HBWVVYYQXDJMDX-INIZCTEOSA-N 0 3 304.821 2.441 20 30 DEEDHN C#CCN(CCCNC(=O)c1cnn(C(C)C)c1Cl)C1CC1 ZINC001479874571 1061972968 /nfs/dbraw/zinc/97/29/68/1061972968.db2.gz WPOWYHRUFWEDDZ-UHFFFAOYSA-N 0 3 322.840 2.335 20 30 DEEDHN COCC#CCN(CCCNC(=O)C1CCC(F)CC1)C1CC1 ZINC001479877113 1061974359 /nfs/dbraw/zinc/97/43/59/1061974359.db2.gz YXPXSRQBSHIVOZ-UHFFFAOYSA-N 0 3 324.440 2.135 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2c(C)coc2C)CC1 ZINC001479919700 1062049223 /nfs/dbraw/zinc/04/92/23/1062049223.db2.gz LICTYGOTQQMQJT-UHFFFAOYSA-N 0 3 319.449 2.210 20 30 DEEDHN C=CCOCC(=O)NC1(CNCc2ccns2)CCCCC1 ZINC001506500282 1062052571 /nfs/dbraw/zinc/05/25/71/1062052571.db2.gz OJFWTQIHBWXKJL-UHFFFAOYSA-N 0 3 323.462 2.254 20 30 DEEDHN Cc1cccnc1CN1CCC2(C[C@H]2NC(=O)[C@H](C)C#N)CC1 ZINC001479978922 1062138600 /nfs/dbraw/zinc/13/86/00/1062138600.db2.gz ZKRGSQDAVQCLFA-GDBMZVCRSA-N 0 3 312.417 2.020 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC001506601996 1062180277 /nfs/dbraw/zinc/18/02/77/1062180277.db2.gz SZRWVPQUIQMRST-OLZOCXBDSA-N 0 3 319.836 2.479 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001480038533 1062221919 /nfs/dbraw/zinc/22/19/19/1062221919.db2.gz KEYVIDDSWBAWDT-VCTAVGKDSA-N 0 3 303.431 2.260 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC001506678662 1062270839 /nfs/dbraw/zinc/27/08/39/1062270839.db2.gz KTVCCRZEOSHSSF-AWEZNQCLSA-N 0 3 320.408 2.409 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)C2CN(CCCO)C2)CCCCC1 ZINC001506682072 1062276911 /nfs/dbraw/zinc/27/69/11/1062276911.db2.gz ZHPNSVDBXDIUSB-HNNXBMFYSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](CN(C)CCF)C1 ZINC001480083335 1062298595 /nfs/dbraw/zinc/29/85/95/1062298595.db2.gz CDSWHIOTZRBZAE-JYJNAYRXSA-N 0 3 312.429 2.108 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)CCOCC)C2)C1 ZINC001506718320 1062306364 /nfs/dbraw/zinc/30/63/64/1062306364.db2.gz MVFYORQMAFXXTI-WMZOPIPTSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@]2(C1)CN([C@@H](C)CCC=C)CCO2 ZINC001506722779 1062310941 /nfs/dbraw/zinc/31/09/41/1062310941.db2.gz QFHOTWZBAQRBRE-HKUYNNGSSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCc2ccccn2)C(C)(C)C1 ZINC001506749359 1062357497 /nfs/dbraw/zinc/35/74/97/1062357497.db2.gz FGALNAXHTKZPLQ-MRXNPFEDSA-N 0 3 301.434 2.417 20 30 DEEDHN C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001480154870 1062399023 /nfs/dbraw/zinc/39/90/23/1062399023.db2.gz AMVONBXCBUHAFW-HDJSIYSDSA-N 0 3 318.421 2.087 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)(C)O)C[C@@H]2C1 ZINC001506856938 1062437956 /nfs/dbraw/zinc/43/79/56/1062437956.db2.gz JMHJJWCKNZKVIB-BFHYXJOUSA-N 0 3 314.857 2.117 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]2CN(CC#CCOC)CC[C@@H]21 ZINC001480186434 1062439185 /nfs/dbraw/zinc/43/91/85/1062439185.db2.gz NGDOQLYTLUNDMQ-MSOLQXFVSA-N 0 3 318.461 2.305 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001480186835 1062439737 /nfs/dbraw/zinc/43/97/37/1062439737.db2.gz CDWCKTXXCJOCTJ-IYBDPMFKSA-N 0 3 302.805 2.338 20 30 DEEDHN C=C(C)CCC(=O)N1CCC2(CO[C@@H](CNCCF)C2)CC1 ZINC001506871617 1062454773 /nfs/dbraw/zinc/45/47/73/1062454773.db2.gz AGWQHDFZYRIBOC-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)c1ncccn1 ZINC001506944366 1062566938 /nfs/dbraw/zinc/56/69/38/1062566938.db2.gz RNZIQVHNXKFORL-CQSZACIVSA-N 0 3 323.400 2.037 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001480332492 1062668619 /nfs/dbraw/zinc/66/86/19/1062668619.db2.gz YNZXTNPULOYHSD-IAGOWNOFSA-N 0 3 314.429 2.448 20 30 DEEDHN C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001480339374 1062678143 /nfs/dbraw/zinc/67/81/43/1062678143.db2.gz HJDRCTASDOXLQS-HNNXBMFYSA-N 0 3 318.417 2.179 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC[C@H](F)CC)nc1 ZINC001480364915 1062716897 /nfs/dbraw/zinc/71/68/97/1062716897.db2.gz JGKHTGWWELFQOW-HZPDHXFCSA-N 0 3 317.408 2.395 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(=O)C(C)(C)C)NCc1cccc(C#N)c1 ZINC001507056356 1062747853 /nfs/dbraw/zinc/74/78/53/1062747853.db2.gz QCAMETHNHGASPE-ZDUSSCGKSA-N 0 3 315.417 2.110 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001480382560 1062757322 /nfs/dbraw/zinc/75/73/22/1062757322.db2.gz KFESHMZBPMLZKT-NWDGAFQWSA-N 0 3 302.340 2.179 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NCc1cccc(CC)c1 ZINC001507226281 1062984639 /nfs/dbraw/zinc/98/46/39/1062984639.db2.gz QPWPWUMOMJFGFR-KRWDZBQOSA-N 0 3 318.461 2.418 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2ccns2)[C@@H]1C ZINC001507277329 1063020707 /nfs/dbraw/zinc/02/07/07/1063020707.db2.gz JOUZGAUVCNPGOI-DZGCQCFKSA-N 0 3 305.447 2.416 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001480601066 1063093995 /nfs/dbraw/zinc/09/39/95/1063093995.db2.gz KNWXVSZFWXUTRE-WMZOPIPTSA-N 0 3 306.450 2.257 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCOc2ccccc2CC)C1 ZINC001507331526 1063107396 /nfs/dbraw/zinc/10/73/96/1063107396.db2.gz LOWWPYJRMPRYJK-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001480619894 1063111446 /nfs/dbraw/zinc/11/14/46/1063111446.db2.gz SFCSGNPOOQNEAH-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)COCC3CCCC3)CCC[C@H]12 ZINC001507359742 1063152835 /nfs/dbraw/zinc/15/28/35/1063152835.db2.gz VWVOXVBGUQAMDO-FUHWJXTLSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccn(C)n3)[C@H]2C1 ZINC001507360033 1063154197 /nfs/dbraw/zinc/15/41/97/1063154197.db2.gz JQZKDCHGFLLXLZ-BHYGNILZSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CCn2cccc2)[C@H]1C ZINC001507379753 1063191976 /nfs/dbraw/zinc/19/19/76/1063191976.db2.gz FFKHNVVMHHMLEN-IAGOWNOFSA-N 0 3 319.449 2.050 20 30 DEEDHN Cc1csc(CN[C@H]2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001480692962 1063200021 /nfs/dbraw/zinc/20/00/21/1063200021.db2.gz KBMONBABHCWKPQ-GJZGRUSLSA-N 0 3 317.458 2.382 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2nccnc2C)C1 ZINC001507392238 1063219365 /nfs/dbraw/zinc/21/93/65/1063219365.db2.gz CODHETHQLIJGKQ-GJZGRUSLSA-N 0 3 302.422 2.126 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)c2cc(C)cs2)CC1(C)C ZINC001507432501 1063281420 /nfs/dbraw/zinc/28/14/20/1063281420.db2.gz ZUDNNQFDQGYVHC-HNNXBMFYSA-N 0 3 320.458 2.147 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001507949010 1063475850 /nfs/dbraw/zinc/47/58/50/1063475850.db2.gz QPHDKCBTTPMTOK-CYBMUJFWSA-N 0 3 321.469 2.336 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001493021143 1063484141 /nfs/dbraw/zinc/48/41/41/1063484141.db2.gz ADKGNRKVWHEVAF-SJORKVTESA-N 0 3 320.408 2.355 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)COCCC)CC[C@H]1C(F)(F)F ZINC001508094160 1063548066 /nfs/dbraw/zinc/54/80/66/1063548066.db2.gz XFGZTNNHDLOVJD-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C1CC(N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001508126159 1063569355 /nfs/dbraw/zinc/56/93/55/1063569355.db2.gz ORYOYRSPBNVCIR-HIFPTAJRSA-N 0 3 319.453 2.219 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CC2CCC(OC)CC2)C1 ZINC001493272943 1063685946 /nfs/dbraw/zinc/68/59/46/1063685946.db2.gz ZPLUKPYTAFNQGB-CGZBRXJRSA-N 0 3 306.450 2.043 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC1(C)C ZINC001493523728 1063847801 /nfs/dbraw/zinc/84/78/01/1063847801.db2.gz GUUDXIRXIDAGPT-CQSZACIVSA-N 0 3 303.381 2.291 20 30 DEEDHN CC[C@H](SC)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493522735 1063847834 /nfs/dbraw/zinc/84/78/34/1063847834.db2.gz ZNFQAKXKIKWBDP-ZDUSSCGKSA-N 0 3 311.476 2.309 20 30 DEEDHN C#CCCCCC(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001493526032 1063850972 /nfs/dbraw/zinc/85/09/72/1063850972.db2.gz WCLISRIVOXVUNZ-UHFFFAOYSA-N 0 3 318.465 2.380 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1ccc(OC)nc1 ZINC001493565091 1063866753 /nfs/dbraw/zinc/86/67/53/1063866753.db2.gz IXJBWQXDTOHRQK-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C=CCCC(=O)N(C)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001508854528 1063886626 /nfs/dbraw/zinc/88/66/26/1063886626.db2.gz WUZIVYHNBSCZCM-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)N(C)C(=O)[C@H](CC)N(C)C)CC1 ZINC001509058771 1063943751 /nfs/dbraw/zinc/94/37/51/1063943751.db2.gz BTXCMYPFSNGVJK-HOCLYGCPSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001567416255 1064190127 /nfs/dbraw/zinc/19/01/27/1064190127.db2.gz WKJZPQUBDGZACO-GFCCVEGCSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](C)CCc2cccc(F)c2)C1 ZINC001567419538 1064191647 /nfs/dbraw/zinc/19/16/47/1064191647.db2.gz PPGUQLIRSCEKRZ-RDJZCZTQSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCN[C@H](C)C(=O)N1CCCCC1 ZINC001567566738 1064256494 /nfs/dbraw/zinc/25/64/94/1064256494.db2.gz BVBVUQITPDXWTP-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1cc(C(=O)N(C)CCNCc2ccc(C#N)cc2)c(C)[nH]1 ZINC001567566964 1064257377 /nfs/dbraw/zinc/25/73/77/1064257377.db2.gz JXFCKHPLHNYFNB-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cn(C)nc2Cl)C1 ZINC001567689066 1064344824 /nfs/dbraw/zinc/34/48/24/1064344824.db2.gz QGRDXJOTLXVKEH-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC001567692772 1064349226 /nfs/dbraw/zinc/34/92/26/1064349226.db2.gz GHUNLMLOVBRVJO-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(Cc2cc(C)ncn2)C1 ZINC001567702069 1064359841 /nfs/dbraw/zinc/35/98/41/1064359841.db2.gz WGCBOPOLDDSGGB-MRXNPFEDSA-N 0 3 316.449 2.470 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN1CCN(CC[C@H](C)F)CC1 ZINC001567717621 1064375597 /nfs/dbraw/zinc/37/55/97/1064375597.db2.gz IZQKPTLUJKNWJL-INIZCTEOSA-N 0 3 313.461 2.167 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CN(C)Cc2ocnc2C)C1 ZINC001567727464 1064381307 /nfs/dbraw/zinc/38/13/07/1064381307.db2.gz JLRZSMLCCOJLDS-HNNXBMFYSA-N 0 3 303.406 2.067 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(CC/C=C/CCC)C1 ZINC001567762690 1064407703 /nfs/dbraw/zinc/40/77/03/1064407703.db2.gz FOWNYDMSJDILCE-NXVGNOFTSA-N 0 3 306.450 2.352 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN([C@H](C)c2cccc(C)c2)C1 ZINC001494696662 1064419264 /nfs/dbraw/zinc/41/92/64/1064419264.db2.gz PGCOGBSMRIYXIK-WBVHZDCISA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001494713292 1064429146 /nfs/dbraw/zinc/42/91/46/1064429146.db2.gz OKXKTKDQURAVHI-SFHVURJKSA-N 0 3 316.445 2.185 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCOc2ccccc2CC)C1 ZINC001494730597 1064438457 /nfs/dbraw/zinc/43/84/57/1064438457.db2.gz MQIQQQVRAGIMOL-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001494850542 1064511416 /nfs/dbraw/zinc/51/14/16/1064511416.db2.gz GVRJBXFDGLSTDX-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001567917939 1064515299 /nfs/dbraw/zinc/51/52/99/1064515299.db2.gz YDHAFTBGYXNCOE-HOCLYGCPSA-N 0 3 300.418 2.108 20 30 DEEDHN CCC(=O)N[C@@](C)(CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001568011750 1064592486 /nfs/dbraw/zinc/59/24/86/1064592486.db2.gz NKLFXYVYMUAGHC-SFHVURJKSA-N 0 3 302.393 2.462 20 30 DEEDHN C#CC[NH2+]C[C@@]1(NC(=O)c2ccccc2[O-])CCCC[C@H]1C ZINC001568035476 1064609206 /nfs/dbraw/zinc/60/92/06/1064609206.db2.gz HDQTXUVTUICUNL-KDOFPFPSSA-N 0 3 300.402 2.294 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001568116514 1064655356 /nfs/dbraw/zinc/65/53/56/1064655356.db2.gz MTVWXGWCFCGVSF-MDGVGCGJSA-N 0 3 322.836 2.472 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)CC[C@@H]2CCOC2)cc1 ZINC001568116960 1064655438 /nfs/dbraw/zinc/65/54/38/1064655438.db2.gz VKMZSHRGGULMRR-GOSISDBHSA-N 0 3 314.429 2.232 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)c1cc[nH]c1 ZINC001568273335 1064744872 /nfs/dbraw/zinc/74/48/72/1064744872.db2.gz AIWFZMPZWJPBIV-AWEZNQCLSA-N 0 3 313.376 2.256 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@H]1CCC=CCCC1 ZINC001568280925 1064750061 /nfs/dbraw/zinc/75/00/61/1064750061.db2.gz GCOZVCQRAPYZES-SJORKVTESA-N 0 3 306.450 2.209 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)c1ccccc1Cl ZINC001568314298 1064771040 /nfs/dbraw/zinc/77/10/40/1064771040.db2.gz KMJXRSQZJUASGO-CYBMUJFWSA-N 0 3 308.809 2.040 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1cn(C)nc1C ZINC001568421137 1064857165 /nfs/dbraw/zinc/85/71/65/1064857165.db2.gz ZQUGEJBZMYOXOM-WMLDXEAASA-N 0 3 318.465 2.411 20 30 DEEDHN CCc1onc(C)c1CN[C@H](CNC(=O)C#CC(C)C)C(C)C ZINC001568449712 1064879708 /nfs/dbraw/zinc/87/97/08/1064879708.db2.gz TWUGWAUCMQZXIR-MRXNPFEDSA-N 0 3 319.449 2.435 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1COc2ccccc2C1 ZINC001568489177 1064908209 /nfs/dbraw/zinc/90/82/09/1064908209.db2.gz QXRJKZSFVGGKQB-MRXNPFEDSA-N 0 3 302.418 2.204 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001495454475 1064916737 /nfs/dbraw/zinc/91/67/37/1064916737.db2.gz TYYKWARZKMHSCR-SHTZXODSSA-N 0 3 303.406 2.304 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccnc1OC(C)C ZINC001568507313 1064919888 /nfs/dbraw/zinc/91/98/88/1064919888.db2.gz BIRUIXVYNVAVRM-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2cnoc2C)C1 ZINC001568507618 1064923012 /nfs/dbraw/zinc/92/30/12/1064923012.db2.gz DNPVNKVRLKWRQV-ZBFHGGJFSA-N 0 3 303.406 2.372 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1csnc1OC ZINC001568519670 1064930579 /nfs/dbraw/zinc/93/05/79/1064930579.db2.gz MDVPGXHCWFQTAO-TZMCWYRMSA-N 0 3 323.462 2.492 20 30 DEEDHN CCC[C@@H](C)C(=O)NCc1ccc(CNCC#CCOC)cc1 ZINC001495485024 1064938207 /nfs/dbraw/zinc/93/82/07/1064938207.db2.gz GQORJADXIWAXCL-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C#CCCCCC(=O)NCCC1CCN(CC#CCOC)CC1 ZINC001495512359 1064957306 /nfs/dbraw/zinc/95/73/06/1064957306.db2.gz KJMAJLDVCGMHEM-UHFFFAOYSA-N 0 3 318.461 2.048 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001568551587 1064958905 /nfs/dbraw/zinc/95/89/05/1064958905.db2.gz KIIQYUOHGUGKQS-UHFFFAOYSA-N 0 3 317.433 2.246 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC001568551460 1064960495 /nfs/dbraw/zinc/96/04/95/1064960495.db2.gz FGYRTULIICFMBB-CQSZACIVSA-N 0 3 318.417 2.485 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001495560579 1064981535 /nfs/dbraw/zinc/98/15/35/1064981535.db2.gz JAKSJVFEDRVSLQ-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C[C@H](CNC(=O)c1ccccc1[O-])C[NH2+]Cc1cccc(C#N)c1 ZINC001495622761 1065014250 /nfs/dbraw/zinc/01/42/50/1065014250.db2.gz PXMLNPLKMWFREC-AWEZNQCLSA-N 0 3 323.396 2.420 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001568645102 1065017992 /nfs/dbraw/zinc/01/79/92/1065017992.db2.gz AYRLIZBDZRMPHW-AAEUAGOBSA-N 0 3 324.856 2.316 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CCn1nc(C)cc1C ZINC001568661078 1065028930 /nfs/dbraw/zinc/02/89/30/1065028930.db2.gz AAKGMPUGNHINKC-LBPRGKRZSA-N 0 3 312.845 2.127 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCNCc2ocnc2C)cc1 ZINC001568661210 1065029339 /nfs/dbraw/zinc/02/93/39/1065029339.db2.gz CEGHQXOCNAVVJC-ZDUSSCGKSA-N 0 3 311.385 2.263 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1ccns1 ZINC001495677867 1065049535 /nfs/dbraw/zinc/04/95/35/1065049535.db2.gz ALANFPLGTJZEOW-LBPRGKRZSA-N 0 3 314.414 2.170 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCN(CC)C(=O)C1=CCCCCC1 ZINC001568739193 1065092395 /nfs/dbraw/zinc/09/23/95/1065092395.db2.gz QEVXHDBOHADZMX-HNNXBMFYSA-N 0 3 321.465 2.006 20 30 DEEDHN CCN(CCNCc1ccnc(Cl)c1)C(=O)C#CC1CC1 ZINC001568741232 1065093337 /nfs/dbraw/zinc/09/33/37/1065093337.db2.gz RRCVVTWANFBSGD-UHFFFAOYSA-N 0 3 305.809 2.087 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NCc2ccnn2C)CCCC1 ZINC001495919476 1065175292 /nfs/dbraw/zinc/17/52/92/1065175292.db2.gz VXRIWWMLYZEXEJ-UHFFFAOYSA-N 0 3 304.438 2.295 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)N(C)C(=O)CC1CC1 ZINC001495990519 1065210433 /nfs/dbraw/zinc/21/04/33/1065210433.db2.gz LHRGGNDIKXSGCF-ZDUSSCGKSA-N 0 3 315.417 2.303 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001569054098 1065259626 /nfs/dbraw/zinc/25/96/26/1065259626.db2.gz ALWDBYMSQINRHK-AWEZNQCLSA-N 0 3 304.438 2.036 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CNCc1cc2ccccc2o1 ZINC001569056989 1065263146 /nfs/dbraw/zinc/26/31/46/1065263146.db2.gz XMWYTVPQYIXGCL-AWEZNQCLSA-N 0 3 314.385 2.067 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001569134367 1065312055 /nfs/dbraw/zinc/31/20/55/1065312055.db2.gz AVWOHOCVGVFBSD-LBPRGKRZSA-N 0 3 301.390 2.413 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1c(F)cccc1NC(C)=O ZINC001569141111 1065316299 /nfs/dbraw/zinc/31/62/99/1065316299.db2.gz KMYKBSJELXZYII-NSHDSACASA-N 0 3 307.369 2.020 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccc(F)cc1F ZINC001569148570 1065320212 /nfs/dbraw/zinc/32/02/12/1065320212.db2.gz JZZYOIKKDWZAOE-GFCCVEGCSA-N 0 3 312.360 2.218 20 30 DEEDHN COC[C@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001496196536 1065334466 /nfs/dbraw/zinc/33/44/66/1065334466.db2.gz JDOYSOKSFFRZIM-OLZOCXBDSA-N 0 3 323.462 2.229 20 30 DEEDHN CC(C)C[C@H](CNCc1ccns1)NC(=O)C#CC1CC1 ZINC001496274431 1065377460 /nfs/dbraw/zinc/37/74/60/1065377460.db2.gz XMJOXQJDUUCBIC-CQSZACIVSA-N 0 3 305.447 2.177 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[C@H](OC)C1 ZINC001569234502 1065383415 /nfs/dbraw/zinc/38/34/15/1065383415.db2.gz RLIRXUAYFRRYIW-KGLIPLIRSA-N 0 3 302.846 2.382 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@@H](CC)C1 ZINC001569340756 1065439711 /nfs/dbraw/zinc/43/97/11/1065439711.db2.gz QGNSPHOSLVCOFZ-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ncnc2ccsc21 ZINC001569361546 1065457729 /nfs/dbraw/zinc/45/77/29/1065457729.db2.gz QKTLLLDZOBWWCB-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cscn2)C1 ZINC001496436512 1065470046 /nfs/dbraw/zinc/47/00/46/1065470046.db2.gz YZCNFNGDWKMHRN-ZIAGYGMSSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001569383729 1065479570 /nfs/dbraw/zinc/47/95/70/1065479570.db2.gz WWBWLLYNOLBACV-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccnn1C ZINC001496464609 1065487935 /nfs/dbraw/zinc/48/79/35/1065487935.db2.gz KXGOFDBEZBXLPE-GOEBONIOSA-N 0 3 304.438 2.103 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001569432216 1065504724 /nfs/dbraw/zinc/50/47/24/1065504724.db2.gz OIOJDZSKMGORPZ-SFHVURJKSA-N 0 3 318.461 2.401 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)OCCCC)C2)C1 ZINC001569474018 1065530384 /nfs/dbraw/zinc/53/03/84/1065530384.db2.gz JZXXMKCLVRTWPG-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NCc1cnc(Cl)s1 ZINC001496533532 1065540455 /nfs/dbraw/zinc/54/04/55/1065540455.db2.gz HFUVZWXQXPLKBB-KOLCDFICSA-N 0 3 314.842 2.187 20 30 DEEDHN C=CCCC(=O)NC[C@@H](NCc1n[nH]c(C(C)(C)C)n1)C(C)C ZINC001496539082 1065544750 /nfs/dbraw/zinc/54/47/50/1065544750.db2.gz VGGVSAFTOWVCMM-CYBMUJFWSA-N 0 3 321.469 2.299 20 30 DEEDHN C=CCCCCCN1CC(N(C)C(=O)Cn2cncc2C)C1 ZINC001569496236 1065545070 /nfs/dbraw/zinc/54/50/70/1065545070.db2.gz GXJGNRHTFCRKDG-UHFFFAOYSA-N 0 3 304.438 2.081 20 30 DEEDHN C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H](C)C1 ZINC001569521430 1065564782 /nfs/dbraw/zinc/56/47/82/1065564782.db2.gz HPMZDIPKIIRZOF-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)NC(CC)CC ZINC001569551220 1065587367 /nfs/dbraw/zinc/58/73/67/1065587367.db2.gz CPVQJBYROUPOOS-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)C(C)C ZINC001496610100 1065591987 /nfs/dbraw/zinc/59/19/87/1065591987.db2.gz BDVVLXXBYQXPPR-MCIONIFRSA-N 0 3 324.856 2.007 20 30 DEEDHN C#CCN(C(=O)C[C@@H](C)OC)C1CCN(CC=C(C)C)CC1 ZINC001569584256 1065606886 /nfs/dbraw/zinc/60/68/86/1065606886.db2.gz IOJWRQJZCHOEOM-MRXNPFEDSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2cc(C)cc(C)n2)CC1 ZINC001569588273 1065610654 /nfs/dbraw/zinc/61/06/54/1065610654.db2.gz BSPHANKWPDXOFT-UHFFFAOYSA-N 0 3 323.440 2.262 20 30 DEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2cc(CC)ccn2)CC1 ZINC001569589322 1065611012 /nfs/dbraw/zinc/61/10/12/1065611012.db2.gz IJXPANFLUCMYPJ-UHFFFAOYSA-N 0 3 323.440 2.207 20 30 DEEDHN C=CCCC(=O)N[C@]1(C)CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC001569632007 1065633325 /nfs/dbraw/zinc/63/33/25/1065633325.db2.gz KXONMONKQCBJPK-SJLPKXTDSA-N 0 3 320.408 2.406 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001496701481 1065657135 /nfs/dbraw/zinc/65/71/35/1065657135.db2.gz CQLRNVJFKHWJPY-IAGOWNOFSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@](C)(CNCc2cnc(C)o2)C1 ZINC001569666148 1065659021 /nfs/dbraw/zinc/65/90/21/1065659021.db2.gz OUIYPTJOZJVOCR-KRWDZBQOSA-N 0 3 303.406 2.115 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccn(C2CCCC2)n1 ZINC001496710388 1065665237 /nfs/dbraw/zinc/66/52/37/1065665237.db2.gz SCTQNMPJUUURII-UHFFFAOYSA-N 0 3 302.422 2.025 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCc2ccco2)C1 ZINC001569710234 1065683128 /nfs/dbraw/zinc/68/31/28/1065683128.db2.gz PZPBUMVTMUNCJB-GOSISDBHSA-N 0 3 302.418 2.454 20 30 DEEDHN C=CCCC(=O)N(CC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001496744159 1065685569 /nfs/dbraw/zinc/68/55/69/1065685569.db2.gz KVWWHZIZAVWWGP-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccncc2C)C1 ZINC001569715681 1065687411 /nfs/dbraw/zinc/68/74/11/1065687411.db2.gz PRYUTILBHZUWIL-GOSISDBHSA-N 0 3 301.434 2.337 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001569716658 1065687724 /nfs/dbraw/zinc/68/77/24/1065687724.db2.gz ZXZFEXVFSFSIDK-YJBOKZPZSA-N 0 3 318.465 2.232 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001569720582 1065689110 /nfs/dbraw/zinc/68/91/10/1065689110.db2.gz RDHXAFAHWWSLSP-GOSISDBHSA-N 0 3 316.449 2.319 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1occc1Cl ZINC001496774760 1065705466 /nfs/dbraw/zinc/70/54/66/1065705466.db2.gz IQKXZEODEDJYNC-UHFFFAOYSA-N 0 3 300.786 2.139 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)CCOCC1 ZINC001569797592 1065724745 /nfs/dbraw/zinc/72/47/45/1065724745.db2.gz MPBAYFPUBAHOOX-JYJNAYRXSA-N 0 3 324.440 2.298 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)n1cccn1 ZINC001569868342 1065779375 /nfs/dbraw/zinc/77/93/75/1065779375.db2.gz SCAPDOZVVMQRFN-QGZVFWFLSA-N 0 3 324.428 2.086 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(-c2cccnc2)on1 ZINC001626750609 1078261327 /nfs/dbraw/zinc/26/13/27/1078261327.db2.gz DJABXHUFNYAXHI-UHFFFAOYSA-N 0 3 314.389 2.317 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001570026800 1065889268 /nfs/dbraw/zinc/88/92/68/1065889268.db2.gz KMFIDWBUNITDJJ-YJBOKZPZSA-N 0 3 314.429 2.183 20 30 DEEDHN CC(C)[C@@H](C(=O)NCc1ccc([C@H](C)NCC#N)cc1)N(C)C ZINC001570033353 1065894287 /nfs/dbraw/zinc/89/42/87/1065894287.db2.gz RJVHKQGEXDEXDR-YOEHRIQHSA-N 0 3 316.449 2.063 20 30 DEEDHN COCC#CCNC1(CNC(=O)C(C)=C2CCCC2)CCC1 ZINC001570101587 1065924005 /nfs/dbraw/zinc/92/40/05/1065924005.db2.gz MCXHIQPXRBQSGF-UHFFFAOYSA-N 0 3 304.434 2.155 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2c[nH]c3ccccc23)CCC1 ZINC001570125379 1065934291 /nfs/dbraw/zinc/93/42/91/1065934291.db2.gz VWOWBWJOWQVWFZ-UHFFFAOYSA-N 0 3 309.413 2.362 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2CCCN(CC#C)CC2)cc1 ZINC001570175238 1065952889 /nfs/dbraw/zinc/95/28/89/1065952889.db2.gz RHTRCMMBLHLQSU-SFHVURJKSA-N 0 3 324.424 2.306 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cn2c(n1)CCCC2 ZINC001497199464 1065957154 /nfs/dbraw/zinc/95/71/54/1065957154.db2.gz QMTAZONJKBNLPA-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cnn(CC2CCCC2)c1 ZINC001570214868 1065974168 /nfs/dbraw/zinc/97/41/68/1065974168.db2.gz VLGYBFKCEINTKX-UHFFFAOYSA-N 0 3 316.449 2.100 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001497273098 1066001339 /nfs/dbraw/zinc/00/13/39/1066001339.db2.gz NUUSJSOVVUUGHI-QJPTWQEYSA-N 0 3 303.244 2.426 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CCCN(C(=O)CCCC(C)=O)C2 ZINC001570271668 1065997159 /nfs/dbraw/zinc/99/71/59/1065997159.db2.gz MADIKBLKYPAHAN-SFHVURJKSA-N 0 3 304.434 2.084 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)COCC=C ZINC001570269137 1065998111 /nfs/dbraw/zinc/99/81/11/1065998111.db2.gz OZWFVHLKLJNUTC-GOSISDBHSA-N 0 3 314.429 2.308 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCCCOC)C2 ZINC001570272271 1065999666 /nfs/dbraw/zinc/99/96/66/1065999666.db2.gz YQCJSRSDHPYVAB-GOSISDBHSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](CO)(NCc2cccc(F)c2)C1 ZINC001570278816 1066002159 /nfs/dbraw/zinc/00/21/59/1066002159.db2.gz QBGPQMSNHHUEQE-SFHVURJKSA-N 0 3 320.408 2.235 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC(C)(C)COC)C(C)(C)C1 ZINC001570395957 1066051100 /nfs/dbraw/zinc/05/11/00/1066051100.db2.gz UJXFGALLSJZFDO-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(CC)CCOCC2)C[C@@H]1C ZINC001570445719 1066075566 /nfs/dbraw/zinc/07/55/66/1066075566.db2.gz PJNHELZWYDYHFW-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN CN(C)CCn1nccc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001628722632 1078302661 /nfs/dbraw/zinc/30/26/61/1078302661.db2.gz BQZIHBYYARQEKH-UHFFFAOYSA-N 0 3 322.372 2.050 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC001575244102 1066234638 /nfs/dbraw/zinc/23/46/38/1066234638.db2.gz QOKRMMMFABTKSA-MCIONIFRSA-N 0 3 323.437 2.024 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001497798289 1066321595 /nfs/dbraw/zinc/32/15/95/1066321595.db2.gz USPNTMNKAQBSPL-WDEREUQCSA-N 0 3 311.476 2.213 20 30 DEEDHN CC(C)n1cc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)cn1 ZINC001497959424 1066432676 /nfs/dbraw/zinc/43/26/76/1066432676.db2.gz RLQSNIDFNXKZLX-MRXNPFEDSA-N 0 3 324.428 2.224 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc2ncsc2c1 ZINC001576180725 1066513939 /nfs/dbraw/zinc/51/39/39/1066513939.db2.gz IBHVDTAQIVPNMV-CMPLNLGQSA-N 0 3 302.403 2.495 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)CCc1ccccc1F ZINC001498266165 1066605198 /nfs/dbraw/zinc/60/51/98/1066605198.db2.gz KHJHIVCDROAXKB-KDOFPFPSSA-N 0 3 322.424 2.132 20 30 DEEDHN CN(C)C1(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CCC1 ZINC001633180418 1078400373 /nfs/dbraw/zinc/40/03/73/1078400373.db2.gz BVRXVOMRQDNXFQ-RMKNXTFCSA-N 0 3 304.365 2.009 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc2ccccc2oc1=O ZINC001498446754 1066709743 /nfs/dbraw/zinc/70/97/43/1066709743.db2.gz XKLBPPZRTZHQBG-GFCCVEGCSA-N 0 3 300.358 2.029 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNCc1nccn1C ZINC001498476795 1066733108 /nfs/dbraw/zinc/73/31/08/1066733108.db2.gz ZPOQYAJTHLMOGS-LSDHHAIUSA-N 0 3 304.438 2.151 20 30 DEEDHN CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1CNCC#N)N1CCCCC1 ZINC001498480102 1066736035 /nfs/dbraw/zinc/73/60/35/1066736035.db2.gz JKYKIELDAZIDQH-HZPDHXFCSA-N 0 3 320.481 2.039 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001577116670 1066766036 /nfs/dbraw/zinc/76/60/36/1066766036.db2.gz IJLAKHNPIMYHCE-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001498542604 1066770992 /nfs/dbraw/zinc/77/09/92/1066770992.db2.gz FWQZFNHYNWXXMG-GJZGRUSLSA-N 0 3 321.371 2.398 20 30 DEEDHN CC(C)C#CC(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001498545058 1066772209 /nfs/dbraw/zinc/77/22/09/1066772209.db2.gz DHMZXCPXFDHMGG-UHFFFAOYSA-N 0 3 317.389 2.192 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC001577425912 1066840118 /nfs/dbraw/zinc/84/01/18/1066840118.db2.gz ALIKOVBGDOQYFN-ZIAGYGMSSA-N 0 3 324.425 2.047 20 30 DEEDHN N#Cc1cccc(C[NH2+]C2(CNC(=O)c3ccccc3[O-])CC2)c1 ZINC001499160652 1067124926 /nfs/dbraw/zinc/12/49/26/1067124926.db2.gz DSLPJGQRQUTXEU-UHFFFAOYSA-N 0 3 321.380 2.316 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1(NCc2ccc(CC)cc2)CC1 ZINC001499225500 1067148671 /nfs/dbraw/zinc/14/86/71/1067148671.db2.gz DIEGZZGAFWUMHC-HNNXBMFYSA-N 0 3 314.429 2.026 20 30 DEEDHN C[NH2+]CCOc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001578710113 1067153593 /nfs/dbraw/zinc/15/35/93/1067153593.db2.gz WBVNLTGYSLNODD-UHFFFAOYSA-N 0 3 318.348 2.456 20 30 DEEDHN CC#CCNC1(CNC(=O)C2(c3cccnc3)CCCC2)CC1 ZINC001499330952 1067185124 /nfs/dbraw/zinc/18/51/24/1067185124.db2.gz YGHKKBGRTDESLW-UHFFFAOYSA-N 0 3 311.429 2.155 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001579040946 1067225516 /nfs/dbraw/zinc/22/55/16/1067225516.db2.gz BLHLBNVRSNEKRI-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CCOC ZINC001499508564 1067240388 /nfs/dbraw/zinc/24/03/88/1067240388.db2.gz UTSVWJQOMKKMCX-AOIWGVFYSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCOCC(=O)N1CCC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001499584089 1067267758 /nfs/dbraw/zinc/26/77/58/1067267758.db2.gz SXAGKEFBEMKYIZ-OAHLLOKOSA-N 0 3 312.429 2.252 20 30 DEEDHN COCC#CCN1CCC2(CCN(C(=O)C3(C)CCC3)C2)CC1 ZINC001499581902 1067268166 /nfs/dbraw/zinc/26/81/66/1067268166.db2.gz HPJLQSNXMARWMD-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN COc1ncc(NC(=O)[C@H](N)CC2CCCCC2)cc1C#N ZINC001579324214 1067305679 /nfs/dbraw/zinc/30/56/79/1067305679.db2.gz DLMQXFKYFGONSO-CQSZACIVSA-N 0 3 302.378 2.198 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(Br)co1 ZINC001483394006 1078504895 /nfs/dbraw/zinc/50/48/95/1078504895.db2.gz VLKZFHSCRGRYMS-VIFPVBQESA-N 0 3 301.184 2.278 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cnc(C)o2)C[C@@H]1C ZINC001499822953 1067346720 /nfs/dbraw/zinc/34/67/20/1067346720.db2.gz BSWSDIFPYKMTIQ-DZGCQCFKSA-N 0 3 303.406 2.256 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2ccn(C(C)C)n2)C1 ZINC001267037345 1078519576 /nfs/dbraw/zinc/51/95/76/1078519576.db2.gz CKDGLUJMBJPGGH-MRXNPFEDSA-N 0 3 316.449 2.206 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cnn(C(C)(C)C)c1CC ZINC001483418917 1078521334 /nfs/dbraw/zinc/52/13/34/1078521334.db2.gz CMQKQBFNYFNZAG-ZDUSSCGKSA-N 0 3 306.454 2.437 20 30 DEEDHN Cc1ccccc1[C@@]1(F)CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC001579795093 1067424860 /nfs/dbraw/zinc/42/48/60/1067424860.db2.gz IXMVPDMNYNSKMC-NVXWUHKLSA-N 0 3 303.381 2.413 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC001580049352 1067482014 /nfs/dbraw/zinc/48/20/14/1067482014.db2.gz OCBLNGAWUHSYMU-HOTGVXAUSA-N 0 3 319.449 2.205 20 30 DEEDHN N#CCc1ccccc1CC(=O)N1CCNCC12CCCCC2 ZINC001580055326 1067483816 /nfs/dbraw/zinc/48/38/16/1067483816.db2.gz KYWWUOKQWXJNQT-UHFFFAOYSA-N 0 3 311.429 2.430 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)OC ZINC001638401671 1078563797 /nfs/dbraw/zinc/56/37/97/1078563797.db2.gz TXYUOZDZVMQXPW-HUUCEWRRSA-N 0 3 310.438 2.265 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267108380 1078585831 /nfs/dbraw/zinc/58/58/31/1078585831.db2.gz OHBSKGUZGUDFID-AWEZNQCLSA-N 0 3 316.449 2.267 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)COc2ccsc2)C1 ZINC001267114291 1078591940 /nfs/dbraw/zinc/59/19/40/1078591940.db2.gz ZTZYEKQLEZEMNQ-AWEZNQCLSA-N 0 3 306.431 2.073 20 30 DEEDHN CC1(C(=O)N[C@H](CNCc2ccc(C#N)s2)C2CC2)CC1 ZINC001483566126 1078601415 /nfs/dbraw/zinc/60/14/15/1078601415.db2.gz ZISOIRWBEBPGBA-CQSZACIVSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H]1CC12CC2 ZINC001418414354 1078610902 /nfs/dbraw/zinc/61/09/02/1078610902.db2.gz AAMTZXZBKDRYFG-WDEREUQCSA-N 0 3 301.228 2.180 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nccc2cccnc21 ZINC001570533189 1067989177 /nfs/dbraw/zinc/98/91/77/1067989177.db2.gz VWOWPHUOQAYIDE-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1sc(N(C)C)nc1C ZINC001570541825 1067995891 /nfs/dbraw/zinc/99/58/91/1067995891.db2.gz LFALICHSAYBUNM-ZDUSSCGKSA-N 0 3 322.478 2.240 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001640019400 1078637910 /nfs/dbraw/zinc/63/79/10/1078637910.db2.gz APGOSOICTRRQGD-UHFFFAOYSA-N 0 3 300.406 2.072 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2ccc(C)cc2C)C1 ZINC001671689067 1078632222 /nfs/dbraw/zinc/63/22/22/1078632222.db2.gz MVFJFHRHFSMNRK-GOSISDBHSA-N 0 3 302.418 2.449 20 30 DEEDHN COCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001570585800 1068021655 /nfs/dbraw/zinc/02/16/55/1068021655.db2.gz YMMQOOZJLCZKRZ-UONOGXRCSA-N 0 3 322.836 2.211 20 30 DEEDHN Cc1ccccc1OCCN(C)[C@@H](C)CNC(=O)C#CC1CC1 ZINC001570710493 1068085774 /nfs/dbraw/zinc/08/57/74/1068085774.db2.gz JCFCWDRKXXVJKG-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CC1(C)C ZINC001570894905 1068153070 /nfs/dbraw/zinc/15/30/70/1068153070.db2.gz LIORPTQTYZJVCF-HZPDHXFCSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCCCCC(=O)N1CCO[C@H]([C@@H](C)NC/C=C\Cl)C1 ZINC001570974717 1068169496 /nfs/dbraw/zinc/16/94/96/1068169496.db2.gz YLAYSAWEUHZNSX-MJYKILKPSA-N 0 3 312.841 2.138 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)COCCC)C[C@H]2C1 ZINC001571015599 1068173857 /nfs/dbraw/zinc/17/38/57/1068173857.db2.gz NKSDBDUNTPRGNI-SOUVJXGZSA-N 0 3 314.857 2.382 20 30 DEEDHN CC(C)(C)[C@H](N)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001573457080 1068202060 /nfs/dbraw/zinc/20/20/60/1068202060.db2.gz AVOXGGJXLODZDG-MRXNPFEDSA-N 0 3 315.417 2.301 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccc(Cl)s1 ZINC001571415139 1068284409 /nfs/dbraw/zinc/28/44/09/1068284409.db2.gz DREPKIBKFHAWEX-LLVKDONJSA-N 0 3 314.838 2.101 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CO)NCc1ccccc1C ZINC001571429446 1068288917 /nfs/dbraw/zinc/28/89/17/1068288917.db2.gz DNGBDQIWFLCBHK-MRXNPFEDSA-N 0 3 304.434 2.164 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C1=COCCC1 ZINC001571452547 1068298739 /nfs/dbraw/zinc/29/87/39/1068298739.db2.gz OMUXJMAMNBBKGX-APWZRJJASA-N 0 3 324.424 2.311 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2cn(C)nc2C)[C@@H]1C ZINC001571523262 1068391429 /nfs/dbraw/zinc/39/14/29/1068391429.db2.gz QLEBXLWIJZRGKU-RDJZCZTQSA-N 0 3 318.465 2.206 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2cnn(C)c2)[C@H]1C ZINC001571521953 1068393624 /nfs/dbraw/zinc/39/36/24/1068393624.db2.gz ZDYLWMNRXMWIEN-GOEBONIOSA-N 0 3 318.465 2.144 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)c2ccsc2C)CC1(C)C ZINC001571556873 1068419078 /nfs/dbraw/zinc/41/90/78/1068419078.db2.gz DDVHSKNJUWDTIT-OAHLLOKOSA-N 0 3 320.458 2.147 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CC(N(C)C(=O)CN(CC)CC)C1 ZINC001511945528 1068437491 /nfs/dbraw/zinc/43/74/91/1068437491.db2.gz PHKRNDIINRYMJW-JMLCCBQJSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cccc2ccccc21 ZINC001571608411 1068437938 /nfs/dbraw/zinc/43/79/38/1068437938.db2.gz GHPPDCGMOHKCIT-INIZCTEOSA-N 0 3 312.413 2.391 20 30 DEEDHN C=CCCCC(=O)N[C@@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001571631694 1068450182 /nfs/dbraw/zinc/45/01/82/1068450182.db2.gz DDERHAZRRMZCCC-ZDUSSCGKSA-N 0 3 307.442 2.090 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)CCCOC)CC1 ZINC001571650088 1068459659 /nfs/dbraw/zinc/45/96/59/1068459659.db2.gz FMYFUDCNUSITRA-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cccn1C)NCc1ccc(C#N)s1 ZINC001369235911 1148877396 /nfs/dbraw/zinc/87/73/96/1148877396.db2.gz ZQEVXABUMVOSTL-LBPRGKRZSA-N 0 3 316.430 2.209 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](C)CSC)CC2)CC1 ZINC001571668685 1068469931 /nfs/dbraw/zinc/46/99/31/1068469931.db2.gz ZMSCEVFSWRVTTQ-AWEZNQCLSA-N 0 3 308.491 2.370 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)Cc2cnc(C)o2)c(F)c1 ZINC001571702968 1068491088 /nfs/dbraw/zinc/49/10/88/1068491088.db2.gz OWRPMZNKLAFCIZ-UHFFFAOYSA-N 0 3 317.364 2.257 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001267293961 1078740776 /nfs/dbraw/zinc/74/07/76/1078740776.db2.gz AQHJPLDWLZUUHD-AWEZNQCLSA-N 0 3 316.832 2.443 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001267315081 1078758883 /nfs/dbraw/zinc/75/88/83/1078758883.db2.gz QORYQIRJKOIZKJ-OAHLLOKOSA-N 0 3 314.429 2.475 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1onc2c1CCCC2 ZINC001267315109 1078759432 /nfs/dbraw/zinc/75/94/32/1078759432.db2.gz QXURBZWXFIYWJL-UHFFFAOYSA-N 0 3 303.406 2.019 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnc(C(C)C)nc1C ZINC001267317976 1078760249 /nfs/dbraw/zinc/76/02/49/1078760249.db2.gz PBMWDEWWSBBYRW-UHFFFAOYSA-N 0 3 316.449 2.374 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001572438954 1068770579 /nfs/dbraw/zinc/77/05/79/1068770579.db2.gz PADCUFSQTPPSNS-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)c1ccc(F)nc1 ZINC001267355607 1078788265 /nfs/dbraw/zinc/78/82/65/1078788265.db2.gz XEOMOYXUTSUYNO-UHFFFAOYSA-N 0 3 318.377 2.016 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCn1nc(C)cc1C ZINC001483683511 1078789794 /nfs/dbraw/zinc/78/97/94/1078789794.db2.gz JRFOWXKNOKCDIF-MRXNPFEDSA-N 0 3 304.438 2.047 20 30 DEEDHN CO[C@H](CC(C)C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493683436 1078784181 /nfs/dbraw/zinc/78/41/81/1078784181.db2.gz AOGPYJNWLDRGCH-OAHLLOKOSA-N 0 3 323.462 2.229 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cn(C)nc1CC)c1ccccc1 ZINC001267362610 1078794685 /nfs/dbraw/zinc/79/46/85/1078794685.db2.gz SWRRDTHMQINPRQ-QGZVFWFLSA-N 0 3 312.417 2.229 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NC[C@H](C)O)c2ccccc2)C1 ZINC001267370910 1078799541 /nfs/dbraw/zinc/79/95/41/1078799541.db2.gz UGPZSHMIOXBBQQ-HOCLYGCPSA-N 0 3 302.418 2.171 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001267397001 1078829907 /nfs/dbraw/zinc/82/99/07/1078829907.db2.gz IJGVHDAEHPBTPT-QXSJWSMHSA-N 0 3 312.429 2.391 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(C)cc(C)c2C1 ZINC001520856313 1069183656 /nfs/dbraw/zinc/18/36/56/1069183656.db2.gz NVMDBCRLJNKORH-UHFFFAOYSA-N 0 3 313.445 2.326 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001267465600 1078878446 /nfs/dbraw/zinc/87/84/46/1078878446.db2.gz HYGROQPJKHZVFO-QGZVFWFLSA-N 0 3 324.428 2.464 20 30 DEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](N)CCSC ZINC001574836516 1069274720 /nfs/dbraw/zinc/27/47/20/1069274720.db2.gz OATZMLHMWVOIPZ-HNNXBMFYSA-N 0 3 324.494 2.449 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CCNCc2ccn(C)n2)C1 ZINC001272448822 1078881675 /nfs/dbraw/zinc/88/16/75/1078881675.db2.gz IJKPSDPGSBABQZ-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC001574902890 1069292375 /nfs/dbraw/zinc/29/23/75/1069292375.db2.gz IUFZKMKDEQDRJX-FUHWJXTLSA-N 0 3 300.402 2.328 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)Cc2ccccc2F)CC1 ZINC001279163723 1078901857 /nfs/dbraw/zinc/90/18/57/1078901857.db2.gz CSKZDMIVIZKLMA-AWEZNQCLSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)CSC)c1ccccc1 ZINC001267517666 1078946833 /nfs/dbraw/zinc/94/68/33/1078946833.db2.gz SFRYEBHPYVJZBI-GOEBONIOSA-N 0 3 304.459 2.456 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001283622023 1078949409 /nfs/dbraw/zinc/94/94/09/1078949409.db2.gz QJHFEMGGJFVORE-RDTXWAMCSA-N 0 3 320.408 2.147 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)COCC(F)F)C1 ZINC001267543399 1078972749 /nfs/dbraw/zinc/97/27/49/1078972749.db2.gz GQVTUMBDYZCCGQ-ZDUSSCGKSA-N 0 3 304.381 2.157 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001272575571 1078975219 /nfs/dbraw/zinc/97/52/19/1078975219.db2.gz ZZUNAKXSQSCOOF-CYBMUJFWSA-N 0 3 323.824 2.290 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)CSC)Cc1ccc(C#N)cc1 ZINC001480964550 1079007696 /nfs/dbraw/zinc/00/76/96/1079007696.db2.gz BMMHYBNSUKNXTR-CQSZACIVSA-N 0 3 319.474 2.495 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625267 1079019079 /nfs/dbraw/zinc/01/90/79/1079019079.db2.gz JJOMIWPZSXMPKK-SFHVURJKSA-N 0 3 316.401 2.011 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)C1=O ZINC001272625267 1079019090 /nfs/dbraw/zinc/01/90/90/1079019090.db2.gz JJOMIWPZSXMPKK-SFHVURJKSA-N 0 3 316.401 2.011 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cc(C)c(O)c(C)c2)C1=O ZINC001272631762 1079023746 /nfs/dbraw/zinc/02/37/46/1079023746.db2.gz VZPCMISAYQJEHO-IBGZPJMESA-N 0 3 312.413 2.209 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN(Cc3cccc(C#N)c3)CC2)C1=O ZINC001272646070 1079040320 /nfs/dbraw/zinc/04/03/20/1079040320.db2.gz KQUUYBRXKICIER-FQEVSTJZSA-N 0 3 321.424 2.396 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1CCCN1Cc1cccc(C)c1 ZINC001481031092 1079091130 /nfs/dbraw/zinc/09/11/30/1079091130.db2.gz RNMXAFUHXUXWEO-QGZVFWFLSA-N 0 3 302.418 2.278 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001649438661 1079118442 /nfs/dbraw/zinc/11/84/42/1079118442.db2.gz IQKUJSAWYBRQFC-XNIJJKJLSA-N 0 3 305.426 2.013 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCOCC=C)C1 ZINC001483802086 1079130263 /nfs/dbraw/zinc/13/02/63/1079130263.db2.gz NYURRYWKFJWLMA-QZTJIDSGSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@@]2(C1)CCCN(C[C@@H](F)CC)C2 ZINC001483830383 1079141023 /nfs/dbraw/zinc/14/10/23/1079141023.db2.gz NNHOWDLKLPQFRE-WMZOPIPTSA-N 0 3 324.440 2.089 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC(C)(C)C ZINC001483931178 1079192909 /nfs/dbraw/zinc/19/29/09/1079192909.db2.gz OUNNXAYUSKXLPY-CABCVRRESA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCCc2ccc(F)cc2)C1 ZINC001481112971 1079197055 /nfs/dbraw/zinc/19/70/55/1079197055.db2.gz UVDXLOOWNNGPLM-MRXNPFEDSA-N 0 3 302.393 2.220 20 30 DEEDHN O=C(C#CC1CC1)N[C@H](CNCc1ccns1)C1CCCC1 ZINC001483997741 1079230941 /nfs/dbraw/zinc/23/09/41/1079230941.db2.gz JLZWWQXKQHPRHT-MRXNPFEDSA-N 0 3 317.458 2.321 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@H](Cc3ccccc3)C1)C2 ZINC001646150437 1074349671 /nfs/dbraw/zinc/34/96/71/1074349671.db2.gz VLLNZTOHGBIOOV-BOHSKOPMSA-N 0 3 323.440 2.217 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001484047022 1079271988 /nfs/dbraw/zinc/27/19/88/1079271988.db2.gz DIHUHIZFEIIXSA-SFHVURJKSA-N 0 3 318.417 2.013 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cncnc2)C1 ZINC001267624170 1079295200 /nfs/dbraw/zinc/29/52/00/1079295200.db2.gz SSBVMTWMELQJDS-INIZCTEOSA-N 0 3 302.422 2.417 20 30 DEEDHN N#CC(C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12)c1nccn1Cc1ccccc1 ZINC001646840766 1074644788 /nfs/dbraw/zinc/64/47/88/1074644788.db2.gz HDYQGFIPLQQOPA-HDEZJCGLSA-N 0 3 319.364 2.333 20 30 DEEDHN C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C)C2)n1CC1CC1 ZINC001646945775 1074717121 /nfs/dbraw/zinc/71/71/21/1074717121.db2.gz OBQUOBOXQRKPKE-DZGCQCFKSA-N 0 3 316.453 2.093 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc(OC)cc(OC)c1)C1CC1 ZINC001481195423 1079322844 /nfs/dbraw/zinc/32/28/44/1079322844.db2.gz CUAAHQUUDBKZBR-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cn(C)nc2C(C)C)CC1 ZINC001484147795 1079324608 /nfs/dbraw/zinc/32/46/08/1079324608.db2.gz ZHNMCEODXHUSRS-UHFFFAOYSA-N 0 3 316.449 2.009 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC001484142082 1079326082 /nfs/dbraw/zinc/32/60/82/1079326082.db2.gz LILZSKFXFSTIKX-QGZVFWFLSA-N 0 3 314.404 2.317 20 30 DEEDHN CN(Cc1cc(F)cc(F)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC001647315299 1074879280 /nfs/dbraw/zinc/87/92/80/1074879280.db2.gz FODCCLICZXTNOE-MRXNPFEDSA-N 0 3 324.371 2.468 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC001647357467 1074893435 /nfs/dbraw/zinc/89/34/35/1074893435.db2.gz QXAUZWHQPUZFMZ-CHWSQXEVSA-N 0 3 300.761 2.099 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001484166152 1079340545 /nfs/dbraw/zinc/34/05/45/1079340545.db2.gz GGLHTOMPFSRDKN-GXTWGEPZSA-N 0 3 304.356 2.426 20 30 DEEDHN CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccn1 ZINC001647565832 1074948008 /nfs/dbraw/zinc/94/80/08/1074948008.db2.gz WIWSTYSTBMTGLL-DOTOQJQBSA-N 0 3 311.385 2.434 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC001556466582 1075031841 /nfs/dbraw/zinc/03/18/41/1075031841.db2.gz FMQPDQPWOAHCCU-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccn(C(C)(C)C)c1=O ZINC001556466560 1075031940 /nfs/dbraw/zinc/03/19/40/1075031940.db2.gz DNOKWXZSPQZFBC-UHFFFAOYSA-N 0 3 319.449 2.183 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001565872324 1075061038 /nfs/dbraw/zinc/06/10/38/1075061038.db2.gz KZWYKAUSOZRGSC-MJFSBKNWSA-N 0 3 319.453 2.261 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)NCCOc2c(C)cccc2C)C1 ZINC001560136533 1075133013 /nfs/dbraw/zinc/13/30/13/1075133013.db2.gz WJLAKKYIMDEAJS-QGZVFWFLSA-N 0 3 314.429 2.144 20 30 DEEDHN N#CCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC001560200569 1075133962 /nfs/dbraw/zinc/13/39/62/1075133962.db2.gz BTXLSTNYFAFXAK-CABCVRRESA-N 0 3 311.389 2.273 20 30 DEEDHN N#CCCCC[N@H+]1C[C@H](O)C[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC001560200569 1075133964 /nfs/dbraw/zinc/13/39/64/1075133964.db2.gz BTXLSTNYFAFXAK-CABCVRRESA-N 0 3 311.389 2.273 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)CCCc2ccc(C)cc2)C1 ZINC001484233799 1079364012 /nfs/dbraw/zinc/36/40/12/1079364012.db2.gz MZBRZEQGDVUTDQ-IBGZPJMESA-N 0 3 316.445 2.057 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001565826214 1075189721 /nfs/dbraw/zinc/18/97/21/1075189721.db2.gz HLMVXDZBIRGFSQ-ZHOIPMOUSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn(C)n1 ZINC001565944019 1075209389 /nfs/dbraw/zinc/20/93/89/1075209389.db2.gz YLOJVDUZCPZNRB-SWLSCSKDSA-N 0 3 324.856 2.393 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001566064167 1075222819 /nfs/dbraw/zinc/22/28/19/1075222819.db2.gz GKGBMICIFIKUMD-HOTGVXAUSA-N 0 3 308.466 2.099 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001566064168 1075222848 /nfs/dbraw/zinc/22/28/48/1075222848.db2.gz GKGBMICIFIKUMD-HZPDHXFCSA-N 0 3 308.466 2.099 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CCOCC=C)[C@@H]2C)cc1 ZINC001566099664 1075228575 /nfs/dbraw/zinc/22/85/75/1075228575.db2.gz OFXZXXNVAWUTPY-QAPCUYQASA-N 0 3 312.413 2.063 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(COC)CCCC2)CC(C)(C)C1 ZINC001566130294 1075235111 /nfs/dbraw/zinc/23/51/11/1075235111.db2.gz UISWBSZZIIPQON-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(C)CCc2ccns2)C1 ZINC001566490294 1075259003 /nfs/dbraw/zinc/25/90/03/1075259003.db2.gz NIEPFILPRJKQOF-UHFFFAOYSA-N 0 3 307.463 2.480 20 30 DEEDHN C=C(Cl)CN(CCCNC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC001566594503 1075291869 /nfs/dbraw/zinc/29/18/69/1075291869.db2.gz SZDDEWPHYLDAIW-HNNXBMFYSA-N 0 3 313.873 2.194 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H](OC)c1ccc(F)cc1)C1CC1 ZINC001566604387 1075295335 /nfs/dbraw/zinc/29/53/35/1075295335.db2.gz XTNVVWIMYBYYME-KRWDZBQOSA-N 0 3 318.392 2.117 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001566615332 1075297065 /nfs/dbraw/zinc/29/70/65/1075297065.db2.gz LEMMIEQUSVUIBA-SFHVURJKSA-N 0 3 315.461 2.398 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)C2(C3CCC3)CCC2)CC1 ZINC001566650695 1075304582 /nfs/dbraw/zinc/30/45/82/1075304582.db2.gz RCSMIDREAINJGC-UHFFFAOYSA-N 0 3 319.493 2.267 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCN(CCCCCF)C2)c1 ZINC001566673057 1075313409 /nfs/dbraw/zinc/31/34/09/1075313409.db2.gz XMTLTPZGXIMOMG-MRXNPFEDSA-N 0 3 303.381 2.007 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(CCOC)CCC2)CC1 ZINC001566694334 1075319212 /nfs/dbraw/zinc/31/92/12/1075319212.db2.gz FFEXGYACJOMSHU-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC001566692644 1075319361 /nfs/dbraw/zinc/31/93/61/1075319361.db2.gz JMJZFEJWLBSVGN-SJORKVTESA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCCC(=O)NC[C@H](NCc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC001566705688 1075322065 /nfs/dbraw/zinc/32/20/65/1075322065.db2.gz XQMJDRVTCLVPNV-ZDUSSCGKSA-N 0 3 319.453 2.053 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCOC(C)C ZINC001566955811 1075398171 /nfs/dbraw/zinc/39/81/71/1075398171.db2.gz QLHXPCBGVDOPTC-IAGOWNOFSA-N 0 3 306.450 2.280 20 30 DEEDHN C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001566961256 1075400946 /nfs/dbraw/zinc/40/09/46/1075400946.db2.gz UGTQEVUBDCKIGM-MAUKXSAKSA-N 0 3 311.429 2.212 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001566965927 1075401928 /nfs/dbraw/zinc/40/19/28/1075401928.db2.gz OMFXIUZDHSEBIY-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)N[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001567002012 1075413082 /nfs/dbraw/zinc/41/30/82/1075413082.db2.gz LDDVAWLSXSNPNN-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1c(C)cccc1Cl ZINC001567050528 1075422758 /nfs/dbraw/zinc/42/27/58/1075422758.db2.gz BPCYQUQGZALKKI-CYBMUJFWSA-N 0 3 308.809 2.006 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001267757896 1079459061 /nfs/dbraw/zinc/45/90/61/1079459061.db2.gz ZWXCXCQCBOIXJT-WCQYABFASA-N 0 3 308.451 2.348 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001267753954 1079455099 /nfs/dbraw/zinc/45/50/99/1079455099.db2.gz GOEUHJLGUUBTFL-DOTOQJQBSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001267759836 1079461167 /nfs/dbraw/zinc/46/11/67/1079461167.db2.gz MUMCDGYKTWXOTL-CQSZACIVSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001267767094 1079471426 /nfs/dbraw/zinc/47/14/26/1079471426.db2.gz DFLFUHWIXLLTFU-MRXNPFEDSA-N 0 3 318.465 2.190 20 30 DEEDHN Cc1nc(CCN(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001329432055 1148894384 /nfs/dbraw/zinc/89/43/84/1148894384.db2.gz QWMAGTWZUJCCAZ-ZDUSSCGKSA-N 0 3 321.490 2.480 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CC)CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001582508767 1076156397 /nfs/dbraw/zinc/15/63/97/1076156397.db2.gz WVXBRSUNBNVYQW-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@@H](c1ccco1)N(CC)CC ZINC001587915354 1076429663 /nfs/dbraw/zinc/42/96/63/1076429663.db2.gz JTGHNUVDPAOWHC-HNNXBMFYSA-N 0 3 315.421 2.332 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001587915610 1076429705 /nfs/dbraw/zinc/42/97/05/1076429705.db2.gz ONOQVLMRCUIFMH-INIZCTEOSA-N 0 3 315.396 2.098 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579005 1076454819 /nfs/dbraw/zinc/45/48/19/1076454819.db2.gz IQGSKXRDUWAKRK-SWLSCSKDSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579005 1076454824 /nfs/dbraw/zinc/45/48/24/1076454824.db2.gz IQGSKXRDUWAKRK-SWLSCSKDSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579005 1076454825 /nfs/dbraw/zinc/45/48/25/1076454825.db2.gz IQGSKXRDUWAKRK-SWLSCSKDSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579005 1076454827 /nfs/dbraw/zinc/45/48/27/1076454827.db2.gz IQGSKXRDUWAKRK-SWLSCSKDSA-N 0 3 301.394 2.187 20 30 DEEDHN CC[N@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609224728 1077807113 /nfs/dbraw/zinc/80/71/13/1077807113.db2.gz UWFYWCURYGDHMP-OLZOCXBDSA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609224728 1077807117 /nfs/dbraw/zinc/80/71/17/1077807117.db2.gz UWFYWCURYGDHMP-OLZOCXBDSA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609224728 1077807121 /nfs/dbraw/zinc/80/71/21/1077807121.db2.gz UWFYWCURYGDHMP-OLZOCXBDSA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609224728 1077807125 /nfs/dbraw/zinc/80/71/25/1077807125.db2.gz UWFYWCURYGDHMP-OLZOCXBDSA-N 0 3 314.393 2.178 20 30 DEEDHN COc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1-c1nnn[n-]1 ZINC001609344743 1077837388 /nfs/dbraw/zinc/83/73/88/1077837388.db2.gz RYQJMJJIWCHLFV-UHFFFAOYSA-N 0 3 314.393 2.295 20 30 DEEDHN COc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1-c1nn[n-]n1 ZINC001609344743 1077837390 /nfs/dbraw/zinc/83/73/90/1077837390.db2.gz RYQJMJJIWCHLFV-UHFFFAOYSA-N 0 3 314.393 2.295 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001267816911 1079513200 /nfs/dbraw/zinc/51/32/00/1079513200.db2.gz SQNDPSOMNMLKLM-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@H]1CCCO1)c1ccccc1CC ZINC001484322556 1079537873 /nfs/dbraw/zinc/53/78/73/1079537873.db2.gz AFZNZWMPLKZJBM-QZTJIDSGSA-N 0 3 314.429 2.198 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2cn(C(C)C)nn2)C1 ZINC001484331319 1079544863 /nfs/dbraw/zinc/54/48/63/1079544863.db2.gz JUESEEAENBAHOF-HUUCEWRRSA-N 0 3 319.453 2.152 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001267924147 1079605421 /nfs/dbraw/zinc/60/54/21/1079605421.db2.gz FBLASGSWHQZZGJ-HDJSIYSDSA-N 0 3 305.447 2.464 20 30 DEEDHN Cc1ncc(CN[C@H]2CC[C@H](NC(=O)C#CC(C)C)CC2)o1 ZINC001267924525 1079606733 /nfs/dbraw/zinc/60/67/33/1079606733.db2.gz IFBQYGWJSUXJQQ-SHTZXODSSA-N 0 3 303.406 2.159 20 30 DEEDHN C=CCCCN1CCC[C@](CO)(NC(=O)c2c(C)coc2C)C1 ZINC001484434531 1079609893 /nfs/dbraw/zinc/60/98/93/1079609893.db2.gz NNRZGTHYVDRHTF-SFHVURJKSA-N 0 3 320.433 2.419 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CSCC#N)cc1 ZINC001272683045 1079610465 /nfs/dbraw/zinc/61/04/65/1079610465.db2.gz NSVJWZZUEVNAMW-CQSZACIVSA-N 0 3 315.442 2.233 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](OC)C2CCC2)cc1 ZINC001267936416 1079617285 /nfs/dbraw/zinc/61/72/85/1079617285.db2.gz DNZYMWJDQWJFSG-GOSISDBHSA-N 0 3 314.429 2.231 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](OC)C2CCC2)cc1 ZINC001267936417 1079617596 /nfs/dbraw/zinc/61/75/96/1079617596.db2.gz DNZYMWJDQWJFSG-SFHVURJKSA-N 0 3 314.429 2.231 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cnn(C(C)C)c2)cc1 ZINC001267939061 1079620143 /nfs/dbraw/zinc/62/01/43/1079620143.db2.gz DQYANVRGUYBFFJ-UHFFFAOYSA-N 0 3 310.401 2.117 20 30 DEEDHN CCOCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001267951744 1079632128 /nfs/dbraw/zinc/63/21/28/1079632128.db2.gz MUXIGQAZNPJXAX-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)nn2C)cc1 ZINC001484558846 1079659946 /nfs/dbraw/zinc/65/99/46/1079659946.db2.gz CCJYWICNFGINEM-HNNXBMFYSA-N 0 3 324.428 2.332 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2(NC/C=C/Cl)CCC2)nc1 ZINC001484660051 1079714469 /nfs/dbraw/zinc/71/44/69/1079714469.db2.gz VMVIVPIIXDWSFS-RUDMXATFSA-N 0 3 303.793 2.058 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C2(COC)CCCC2)CC1 ZINC001484716047 1079740515 /nfs/dbraw/zinc/74/05/15/1079740515.db2.gz BJMYXOWTFMCWIA-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](CC)c2c(C)noc2C)CC1 ZINC001484726628 1079750579 /nfs/dbraw/zinc/75/05/79/1079750579.db2.gz QKWAESKQIKCWKS-CVEARBPZSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)COC2CCC(C)CC2)CC1 ZINC001484729220 1079751333 /nfs/dbraw/zinc/75/13/33/1079751333.db2.gz HPYBSOQZKCIMJX-AQFXKWCLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)Oc1cccc(F)c1 ZINC001484743600 1079762176 /nfs/dbraw/zinc/76/21/76/1079762176.db2.gz NDVFBWVLCPXAAH-AWEZNQCLSA-N 0 3 306.381 2.007 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CCc1cn[nH]c1)c1ccccc1 ZINC001481370860 1079762803 /nfs/dbraw/zinc/76/28/03/1079762803.db2.gz NIPKPCUAMVLPOE-KRWDZBQOSA-N 0 3 312.417 2.366 20 30 DEEDHN Cc1nc(C)c(CN(C)CCCN(C)C(=O)[C@H](C)C#N)s1 ZINC001484737187 1079770911 /nfs/dbraw/zinc/77/09/11/1079770911.db2.gz XMBOLXHBOXMERW-LLVKDONJSA-N 0 3 308.451 2.200 20 30 DEEDHN CCCc1[nH]ccc1C(=O)N(C)CCCN(C)CC#CCOC ZINC001484753453 1079780419 /nfs/dbraw/zinc/78/04/19/1079780419.db2.gz KKVAAJHVMHUVNZ-UHFFFAOYSA-N 0 3 319.449 2.011 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@H](CC)CCCC)C1 ZINC001484831930 1079819985 /nfs/dbraw/zinc/81/99/85/1079819985.db2.gz GSFFEWVEHFANBR-SJLPKXTDSA-N 0 3 308.466 2.169 20 30 DEEDHN C#CCN(C(=O)c1ccc(C)c(Cl)c1N)C1CCN(C)CC1 ZINC001652513027 1079882057 /nfs/dbraw/zinc/88/20/57/1079882057.db2.gz ZBQXAXJIEHAQCP-UHFFFAOYSA-N 0 3 319.836 2.400 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCc2cccc(F)c2F)C[C@@H]1C ZINC001484987791 1079900705 /nfs/dbraw/zinc/90/07/05/1079900705.db2.gz IGVPWMFHWAKMIO-DZGCQCFKSA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCN1CCc2ccccc2[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001485004798 1079913215 /nfs/dbraw/zinc/91/32/15/1079913215.db2.gz RTCCYSBYJOLEDI-GOSISDBHSA-N 0 3 324.428 2.244 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CCCC(C)=O)CC2)C1 ZINC001485007665 1079916069 /nfs/dbraw/zinc/91/60/69/1079916069.db2.gz IUIQOKYFVCOVPM-UHFFFAOYSA-N 0 3 322.449 2.015 20 30 DEEDHN CCOCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C#CC(C)C ZINC001485043883 1079927109 /nfs/dbraw/zinc/92/71/09/1079927109.db2.gz UCNFTBWEBYGMAI-IEBWSBKVSA-N 0 3 314.429 2.054 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001653441860 1079928779 /nfs/dbraw/zinc/92/87/79/1079928779.db2.gz LUUHWVQSZFGASN-IRXDYDNUSA-N 0 3 302.418 2.208 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)C#CC1CC1 ZINC001268063246 1080002705 /nfs/dbraw/zinc/00/27/05/1080002705.db2.gz LLOCDZUSXBABKH-CYBMUJFWSA-N 0 3 313.376 2.047 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)Cn1cc(Cl)cn1 ZINC001656093176 1080042095 /nfs/dbraw/zinc/04/20/95/1080042095.db2.gz OGMBMJQFINXCRA-AWEZNQCLSA-N 0 3 310.829 2.035 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001268096111 1080068857 /nfs/dbraw/zinc/06/88/57/1080068857.db2.gz OPFQTVOPHWQDLZ-IAGOWNOFSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001656225405 1080069835 /nfs/dbraw/zinc/06/98/35/1080069835.db2.gz LMLDJLZAOYVXET-JOCQHMNTSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1ccc2c(c1)OCCO2 ZINC001485284813 1080110687 /nfs/dbraw/zinc/11/06/87/1080110687.db2.gz SNUPEYLQYUARNV-AWEZNQCLSA-N 0 3 318.417 2.361 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC001656912627 1080138630 /nfs/dbraw/zinc/13/86/30/1080138630.db2.gz VBVKCCOWPQPPJS-HIFRSBDPSA-N 0 3 308.447 2.072 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)[C@@H]1C ZINC001656942454 1080141361 /nfs/dbraw/zinc/14/13/61/1080141361.db2.gz YSGOWFJEQPTZKV-AYBZRNKSSA-N 0 3 316.445 2.401 20 30 DEEDHN Cc1oncc1CNC[C@@H]1[C@@H](C)CCCN1C(=O)C#CC(C)C ZINC001268185709 1080173640 /nfs/dbraw/zinc/17/36/40/1080173640.db2.gz NAONDQHBCFLWEA-WMLDXEAASA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001268195373 1080184329 /nfs/dbraw/zinc/18/43/29/1080184329.db2.gz SWFLUDFTCZQMCA-SFHVURJKSA-N 0 3 314.429 2.116 20 30 DEEDHN CN(Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@H](O)c1cccc(C#N)c1 ZINC001658506621 1080210717 /nfs/dbraw/zinc/21/07/17/1080210717.db2.gz MZUXSZDPDRVMJA-KRWDZBQOSA-N 0 3 322.368 2.306 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nccn1C ZINC001268286971 1080268289 /nfs/dbraw/zinc/26/82/89/1080268289.db2.gz NJRSXFYXEXYMEE-HUUCEWRRSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001485535214 1080289351 /nfs/dbraw/zinc/28/93/51/1080289351.db2.gz LXQMLNKIEMAYGU-HOTGVXAUSA-N 0 3 314.429 2.222 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCN(CCC[C@@H]2CCOC2)C1 ZINC001481688898 1080306248 /nfs/dbraw/zinc/30/62/48/1080306248.db2.gz YDTVTDFLZBTVKY-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21 ZINC001485594889 1080321761 /nfs/dbraw/zinc/32/17/61/1080321761.db2.gz RBNPAZYPSHXRQY-VCOSZWKGSA-N 0 3 317.820 2.294 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C1(C)CCC(C)CC1 ZINC001660414223 1080327710 /nfs/dbraw/zinc/32/77/10/1080327710.db2.gz RQFSBLRSXUYWEU-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)N(C)CC ZINC001660442107 1080333276 /nfs/dbraw/zinc/33/32/76/1080333276.db2.gz XWIKZGOMRPUPLC-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC001485680607 1080365770 /nfs/dbraw/zinc/36/57/70/1080365770.db2.gz KOVYOQBSGLFZLP-IHRRRGAJSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNCc2snnc2C)C1 ZINC001485692901 1080377148 /nfs/dbraw/zinc/37/71/48/1080377148.db2.gz PHFSOQBNVZMTMY-IHRRRGAJSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCCCCCN1CCC[C@@]12CCN([C@H](CC)C(N)=O)C2=O ZINC001272700645 1080378088 /nfs/dbraw/zinc/37/80/88/1080378088.db2.gz ZZIBHXFDNHZYNV-QAPCUYQASA-N 0 3 321.465 2.064 20 30 DEEDHN CC#CCN(CCCNC(=O)c1occ2c1CCC2)C1CC1 ZINC001660707938 1080383290 /nfs/dbraw/zinc/38/32/90/1080383290.db2.gz FTGAHLIKRMUCLZ-UHFFFAOYSA-N 0 3 300.402 2.376 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@]1(C)CCC[C@H]1C)C1CC1 ZINC001660719624 1080385073 /nfs/dbraw/zinc/38/50/73/1080385073.db2.gz SHCXWVPHJCYQOV-VQIMIIECSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(CCCNC(=O)c1sc(C)cc1OC)C1CC1 ZINC001660726729 1080387752 /nfs/dbraw/zinc/38/77/52/1080387752.db2.gz BYIAUERLPONGRR-UHFFFAOYSA-N 0 3 306.431 2.283 20 30 DEEDHN C#CCCCC(=O)N(C)C1CCN(CCOCC2CC2)CC1 ZINC001660772698 1080394407 /nfs/dbraw/zinc/39/44/07/1080394407.db2.gz XABXMRDFXTWHPO-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1csc(=O)[nH]1 ZINC001485737957 1080400119 /nfs/dbraw/zinc/40/01/19/1080400119.db2.gz YVNWMSZDVUCTMQ-SECBINFHSA-N 0 3 303.815 2.089 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001481734077 1080406110 /nfs/dbraw/zinc/40/61/10/1080406110.db2.gz DIRVRVWGFJNYHG-QGZVFWFLSA-N 0 3 316.445 2.424 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001481747036 1080430062 /nfs/dbraw/zinc/43/00/62/1080430062.db2.gz LEAQATBXTBRIEW-INIZCTEOSA-N 0 3 320.408 2.483 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC001661077844 1080438990 /nfs/dbraw/zinc/43/89/90/1080438990.db2.gz IOMHYVAZLZLYBJ-SJLPKXTDSA-N 0 3 310.441 2.469 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(COC)CCC1 ZINC001661257861 1080464248 /nfs/dbraw/zinc/46/42/48/1080464248.db2.gz QQVPAIFLXSBJGG-IYBDPMFKSA-N 0 3 306.450 2.445 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC001661373261 1080475856 /nfs/dbraw/zinc/47/58/56/1080475856.db2.gz JVWXIGZJSBFLKY-KRWDZBQOSA-N 0 3 314.429 2.066 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)Cc1nc(CC)c[nH]1 ZINC001485812951 1080484362 /nfs/dbraw/zinc/48/43/62/1080484362.db2.gz GNYBFOAYVREGPB-CQSZACIVSA-N 0 3 324.856 2.094 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC2CC(OCC)C2)C1 ZINC001481772851 1080487448 /nfs/dbraw/zinc/48/74/48/1080487448.db2.gz KZFOIFMPHKXWOB-CGZBRXJRSA-N 0 3 306.450 2.138 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001661577907 1080496649 /nfs/dbraw/zinc/49/66/49/1080496649.db2.gz UOKYZZVMBHXYAV-VBNZEHGJSA-N 0 3 315.804 2.088 20 30 DEEDHN Cc1ccncc1CN1CCC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001661719534 1080511535 /nfs/dbraw/zinc/51/15/35/1080511535.db2.gz SITWIQJGLASBJI-KRWDZBQOSA-N 0 3 313.445 2.378 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](NC(=O)C#CC(C)C)CC2)co1 ZINC001272726937 1080512705 /nfs/dbraw/zinc/51/27/05/1080512705.db2.gz MDPLMHYWRVXZEC-WKILWMFISA-N 0 3 317.433 2.407 20 30 DEEDHN C[C@H](O)CCCN1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001661866542 1080535446 /nfs/dbraw/zinc/53/54/46/1080535446.db2.gz PSDDUBQDKNGLAP-JKSUJKDBSA-N 0 3 308.466 2.168 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CN(C)c1ccccc1 ZINC001661895220 1080541425 /nfs/dbraw/zinc/54/14/25/1080541425.db2.gz BBIOKFHWXQNRPM-QGZVFWFLSA-N 0 3 301.434 2.280 20 30 DEEDHN CCOCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001661900507 1080542747 /nfs/dbraw/zinc/54/27/47/1080542747.db2.gz OGJJLOLQWFQKKA-GOSISDBHSA-N 0 3 314.429 2.045 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H](CC)NCc2ncccc2C)c1 ZINC001481848086 1080547675 /nfs/dbraw/zinc/54/76/75/1080547675.db2.gz WUWIUWNNPSJGBD-KRWDZBQOSA-N 0 3 322.412 2.065 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cc2c(cccc2C)o1 ZINC001662430430 1080608103 /nfs/dbraw/zinc/60/81/03/1080608103.db2.gz UVIYJVOADCLNQY-CQSZACIVSA-N 0 3 314.385 2.099 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1cc(-c2ccccc2)ccn1 ZINC001268486719 1080613019 /nfs/dbraw/zinc/61/30/19/1080613019.db2.gz JOZVJASEDOCCFW-UHFFFAOYSA-N 0 3 307.397 2.434 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2cn(C)nc2C)C1 ZINC001662525869 1080613779 /nfs/dbraw/zinc/61/37/79/1080613779.db2.gz XYHNVFVOQLWYRV-KRWDZBQOSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](OCC)c2ccccc2)C1 ZINC001662878653 1080671269 /nfs/dbraw/zinc/67/12/69/1080671269.db2.gz SRCUKJKLSLKZHR-ZWKOTPCHSA-N 0 3 314.429 2.320 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1nccnc1C ZINC001662970728 1080681016 /nfs/dbraw/zinc/68/10/16/1080681016.db2.gz MCTUKFLEOTUVMJ-GUYCJALGSA-N 0 3 304.438 2.372 20 30 DEEDHN Cc1cc(CNCc2ccnc(-n3cncn3)c2)ccc1C#N ZINC001663050094 1080693649 /nfs/dbraw/zinc/69/36/49/1080693649.db2.gz DBIGMXWKVSOYOC-UHFFFAOYSA-N 0 3 304.357 2.132 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2cnccc2C)cc1 ZINC001482029313 1080699875 /nfs/dbraw/zinc/69/98/75/1080699875.db2.gz DNQMVADTHPNROW-UHFFFAOYSA-N 0 3 307.397 2.433 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 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CC#CCN1CC[C@H](CNC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001663633954 1080794572 /nfs/dbraw/zinc/79/45/72/1080794572.db2.gz LRWBMJRUZHVZMA-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001663638912 1080796925 /nfs/dbraw/zinc/79/69/25/1080796925.db2.gz KXZHHUMYCJWUNT-JKSUJKDBSA-N 0 3 314.429 2.260 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001663644550 1080797132 /nfs/dbraw/zinc/79/71/32/1080797132.db2.gz IJXWJVCLYVUXGG-IEBWSBKVSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001663663445 1080800334 /nfs/dbraw/zinc/80/03/34/1080800334.db2.gz CVZDKQGCAKKYKI-AWEZNQCLSA-N 0 3 306.381 2.054 20 30 DEEDHN C=CCN(CCNC(=O)c1cn(CC)nc1C1CC1)C1CC1 ZINC001663726475 1080808178 /nfs/dbraw/zinc/80/81/78/1080808178.db2.gz BZJJIVXBOOVYKS-UHFFFAOYSA-N 0 3 302.422 2.161 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNCc1ccc2c(c1)OCCO2 ZINC001663957551 1080843042 /nfs/dbraw/zinc/84/30/42/1080843042.db2.gz VIPNZWWDMYMATA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/96/96/04/1080969604.db2.gz ROEBXOMRSFYGSW-SNVBAGLBSA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(C)[C@H](C)c2n[nH]c(C)n2)CC1 ZINC001664869075 1080973449 /nfs/dbraw/zinc/97/34/49/1080973449.db2.gz RLVPGGDZXDZNSW-CYBMUJFWSA-N 0 3 319.453 2.311 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)CCn1nc(C)cc1C ZINC001268812850 1081004278 /nfs/dbraw/zinc/00/42/78/1081004278.db2.gz RMHYBPTWWLPMSU-UHFFFAOYSA-N 0 3 312.845 2.081 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001268867528 1081025545 /nfs/dbraw/zinc/02/55/45/1081025545.db2.gz PNCPTLDSFFICFS-HOCLYGCPSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2ccc(OCC)cc2)C1 ZINC001665591686 1081042183 /nfs/dbraw/zinc/04/21/83/1081042183.db2.gz RWVOQVLPQOBEHC-OAHLLOKOSA-N 0 3 318.417 2.231 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CCOC)CC1 ZINC001268947329 1081060102 /nfs/dbraw/zinc/06/01/02/1081060102.db2.gz LDWNGAPRULOZLK-PMPSAXMXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001665681985 1081063590 /nfs/dbraw/zinc/06/35/90/1081063590.db2.gz RUEXYBQISNKCKX-MRXNPFEDSA-N 0 3 320.408 2.104 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCc2nc(C)cs2)C1 ZINC001665727041 1081070376 /nfs/dbraw/zinc/07/03/76/1081070376.db2.gz VZXZGUQVFDPCJY-HNNXBMFYSA-N 0 3 319.474 2.330 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccccc2n1 ZINC001268984164 1081074930 /nfs/dbraw/zinc/07/49/30/1081074930.db2.gz WFAQBEHUGYVGNM-GJZGRUSLSA-N 0 3 310.401 2.199 20 30 DEEDHN CC[C@@H](CNC(=O)c1c(C)ccn1C)NCC#Cc1ccccc1 ZINC001665782393 1081081990 /nfs/dbraw/zinc/08/19/90/1081081990.db2.gz NDFDYDGBLBNTOU-SFHVURJKSA-N 0 3 323.440 2.483 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)NCc2cn(C)nc2C)CC1 ZINC001665840303 1081089865 /nfs/dbraw/zinc/08/98/65/1081089865.db2.gz ZEGUWMUCJVUERM-QGZVFWFLSA-N 0 3 318.465 2.459 20 30 DEEDHN O=C(N[C@@H](CNCC#Cc1ccccc1)C1CC1)c1ccncc1 ZINC001269033592 1081091124 /nfs/dbraw/zinc/09/11/24/1081091124.db2.gz 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/nfs/dbraw/zinc/20/38/57/1081203857.db2.gz RXKFRKISNBBXCH-QZTJIDSGSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCn2cc(Cl)cn2)C1 ZINC001269354969 1081224094 /nfs/dbraw/zinc/22/40/94/1081224094.db2.gz CGSJQXHXMVSKRY-AWEZNQCLSA-N 0 3 310.829 2.035 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001269356146 1081226150 /nfs/dbraw/zinc/22/61/50/1081226150.db2.gz NWDMMTWHSAACES-ZFWWWQNUSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CC)N[C@@H](C)C(=O)N1CCCCC1 ZINC001269412457 1081242492 /nfs/dbraw/zinc/24/24/92/1081242492.db2.gz IHAUBTXDJOYTEK-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccn(CC)n2)CCCC1 ZINC001482220465 1081254592 /nfs/dbraw/zinc/25/45/92/1081254592.db2.gz ZVPRASUAOCJJHJ-UHFFFAOYSA-N 0 3 324.856 2.217 20 30 DEEDHN CC#CCNC1(CNC(=O)c2nc(Cl)sc2Cl)CC1 ZINC001269465438 1081256147 /nfs/dbraw/zinc/25/61/47/1081256147.db2.gz YFSHYSJLUKSCLT-UHFFFAOYSA-N 0 3 318.229 2.325 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)CCc1ccc(N(C)C)cc1 ZINC001667592044 1081265917 /nfs/dbraw/zinc/26/59/17/1081265917.db2.gz FQNUOKSRPSSAFW-UHFFFAOYSA-N 0 3 303.450 2.261 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc2cnccc2o1 ZINC001667592212 1081266534 /nfs/dbraw/zinc/26/65/34/1081266534.db2.gz KVLWNUUAELFRND-UHFFFAOYSA-N 0 3 317.389 2.034 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN(C)C[C@@H](O)CC(F)(F)F ZINC001667619738 1081267950 /nfs/dbraw/zinc/26/79/50/1081267950.db2.gz YOAQQMPPSBPAJR-JSGCOSHPSA-N 0 3 324.387 2.292 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1csc(-c2ccoc2)n1 ZINC001667638018 1081270003 /nfs/dbraw/zinc/27/00/03/1081270003.db2.gz CNNDAPGKSICIPA-UHFFFAOYSA-N 0 3 317.414 2.430 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)CC2(C)CC2)CC1 ZINC001269644605 1081320518 /nfs/dbraw/zinc/32/05/18/1081320518.db2.gz ORQMDAHAMHZYRG-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)COCCCC)C2)C1 ZINC001269685763 1081332924 /nfs/dbraw/zinc/33/29/24/1081332924.db2.gz JWRYRBKOPDSFBY-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cccc(OC)c1 ZINC001668300894 1081339068 /nfs/dbraw/zinc/33/90/68/1081339068.db2.gz YMBXZHHDTZYRIW-CYBMUJFWSA-N 0 3 310.825 2.475 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001269737330 1081349672 /nfs/dbraw/zinc/34/96/72/1081349672.db2.gz QHQIGECPNABGER-MOPGFXCFSA-N 0 3 318.461 2.163 20 30 DEEDHN CC#CCNCCN(CC)C(=O)CCc1ccc(F)cc1F ZINC001668604930 1081371895 /nfs/dbraw/zinc/37/18/95/1081371895.db2.gz HHXHWOQSBTUCED-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN CC#CCNCCN(CC)C(=O)COc1cc(C)ccc1C ZINC001668640373 1081375862 /nfs/dbraw/zinc/37/58/62/1081375862.db2.gz ARNKLUUPUOJJBU-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCc2csc(C)n2)C[C@H]1C ZINC001269917195 1081398851 /nfs/dbraw/zinc/39/88/51/1081398851.db2.gz NUYANQVLZGXYEP-TZMCWYRMSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCOC)CCC1)C2 ZINC001111322112 1081404474 /nfs/dbraw/zinc/40/44/74/1081404474.db2.gz RSVSKODRSHAVNT-OAGGEKHMSA-N 0 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/nfs/dbraw/zinc/51/74/63/1081517463.db2.gz FLHVUMIIVVDTEE-GOSISDBHSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN(C(=O)C[C@H](C)CC)C1CCN(CCOCC)CC1 ZINC001671474033 1081518702 /nfs/dbraw/zinc/51/87/02/1081518702.db2.gz KHOQWYVOUNDSND-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCCC[C@H]1C)C1CCN(CCOC)CC1 ZINC001671492006 1081519482 /nfs/dbraw/zinc/51/94/82/1081519482.db2.gz OFCGWQMFVPVFKK-AEFFLSMTSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1cn(C)nc1C ZINC001482286793 1081519917 /nfs/dbraw/zinc/51/99/17/1081519917.db2.gz JKCAXVAQWBJAKL-CYBMUJFWSA-N 0 3 306.454 2.267 20 30 DEEDHN C=CCCC(=O)N[C@@]1(C)CCN(CCn2nc(C)cc2C)C1 ZINC001671620234 1081526086 /nfs/dbraw/zinc/52/60/86/1081526086.db2.gz LWDAUFBMUSJMKP-KRWDZBQOSA-N 0 3 304.438 2.047 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2ccn(C)n2)CCC1 ZINC001270506768 1081539861 /nfs/dbraw/zinc/53/98/61/1081539861.db2.gz LMIPAWWLBVETRU-CQSZACIVSA-N 0 3 304.438 2.008 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2conc2C2CC2)CC1 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ZINC001212448282 1085393535 /nfs/dbraw/zinc/39/35/35/1085393535.db2.gz GPUWGDLDWCZQHW-HUUCEWRRSA-N 0 3 323.462 2.319 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@H]2CCOC[C@@H]2C)c(F)c1 ZINC001486525312 1085407929 /nfs/dbraw/zinc/40/79/29/1085407929.db2.gz ZNPZKAHPAJERDY-BBRMVZONSA-N 0 3 320.408 2.390 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)[C@@]2(C)CCOC2)c(F)c1 ZINC001486525505 1085408237 /nfs/dbraw/zinc/40/82/37/1085408237.db2.gz MRISKOFJYHMJKD-KRWDZBQOSA-N 0 3 306.381 2.144 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCc2ccccc2CC1 ZINC000960696627 1085416774 /nfs/dbraw/zinc/41/67/74/1085416774.db2.gz FJVXGCQDFNMAEP-BWTSREIZSA-N 0 3 310.441 2.414 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)c1cnco1 ZINC000960768117 1085439821 /nfs/dbraw/zinc/43/98/21/1085439821.db2.gz JKURVXUNZJGCRX-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2cc(C)ccc2n1 ZINC000960957627 1085518871 /nfs/dbraw/zinc/51/88/71/1085518871.db2.gz ADKVFKBOTMWEGP-HWWDLCQESA-N 0 3 307.397 2.389 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000961120781 1085592083 /nfs/dbraw/zinc/59/20/83/1085592083.db2.gz LHDKRCALDJLTLG-HOTGVXAUSA-N 0 3 318.461 2.185 20 30 DEEDHN C=CCN1CC[C@H]([C@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000961138713 1085605737 /nfs/dbraw/zinc/60/57/37/1085605737.db2.gz ICOUKGCUOPCMCU-GJZGRUSLSA-N 0 3 306.450 2.348 20 30 DEEDHN CC(C)=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000965851008 1085660411 /nfs/dbraw/zinc/66/04/11/1085660411.db2.gz HRSMQQBQVAXRHR-XJKSGUPXSA-N 0 3 300.406 2.293 20 30 DEEDHN CC(C)(F)C(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC000961480215 1085749705 /nfs/dbraw/zinc/74/97/05/1085749705.db2.gz HBMVAYXMMCIREO-UHFFFAOYSA-N 0 3 321.371 2.430 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(F)c2ccncc12 ZINC000961556512 1085786329 /nfs/dbraw/zinc/78/63/29/1085786329.db2.gz DXISPIDFVGZCCA-QLPKVWCKSA-N 0 3 311.360 2.220 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)ccc(F)c1F ZINC000961635500 1085809779 /nfs/dbraw/zinc/80/97/79/1085809779.db2.gz XDBIWDUEUDOQEO-RTUWITSCSA-N 0 3 310.319 2.340 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)cc(F)cc1F ZINC000961645225 1085812040 /nfs/dbraw/zinc/81/20/40/1085812040.db2.gz DYRWJHYTVOPPMF-HBYGRHMLSA-N 0 3 310.319 2.340 20 30 DEEDHN C=CCN1C(=O)C[C@]2(CCCN(Cc3ccccc3C#N)C2)C1=O ZINC001272989785 1085815851 /nfs/dbraw/zinc/81/58/51/1085815851.db2.gz FHXAJTJTPIKEOP-IBGZPJMESA-N 0 3 323.396 2.085 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3cncn3C)C2)C1=O ZINC001272997149 1085857690 /nfs/dbraw/zinc/85/76/90/1085857690.db2.gz UTOOYNSWWNWMPH-LJQANCHMSA-N 0 3 322.412 2.096 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)oc1C(F)(F)F ZINC000961902304 1085904581 /nfs/dbraw/zinc/90/45/81/1085904581.db2.gz GIKCPMREZRCXTD-GDNZZTSVSA-N 0 3 314.307 2.453 20 30 DEEDHN Cc1nocc1C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC000962252768 1086036421 /nfs/dbraw/zinc/03/64/21/1086036421.db2.gz DXWWPOSUMPBMSZ-UHFFFAOYSA-N 0 3 324.384 2.153 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C1CCCCC1 ZINC000962253466 1086037535 /nfs/dbraw/zinc/03/75/35/1086037535.db2.gz KFHCVGJNXMDFEC-QLPKVWCKSA-N 0 3 314.433 2.303 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc2c1OCC2 ZINC001273037143 1086059444 /nfs/dbraw/zinc/05/94/44/1086059444.db2.gz RIJRSWPADBICLS-LBPRGKRZSA-N 0 3 308.809 2.472 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCNCc1scnc1C)OCC ZINC001128528620 1086182999 /nfs/dbraw/zinc/18/29/99/1086182999.db2.gz PUOPEKPZHAPRLT-CYBMUJFWSA-N 0 3 311.451 2.029 20 30 DEEDHN C[C@H](CNc1cccc(F)c1C#N)NC(=O)CN1CCC[C@@H]1C ZINC001108117318 1086416701 /nfs/dbraw/zinc/41/67/01/1086416701.db2.gz SGBHOURIMPSROA-OLZOCXBDSA-N 0 3 318.396 2.098 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(C)(C)CC)[C@@H](n2ccnn2)C1 ZINC001129020135 1086567920 /nfs/dbraw/zinc/56/79/20/1086567920.db2.gz LLKLROFWEYZKJY-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN C=C[C@@H](COC)NC[C@@H](O)c1cccc(Br)c1 ZINC001118090424 1086931497 /nfs/dbraw/zinc/93/14/97/1086931497.db2.gz ICGFEDSDVLINQY-QWHCGFSZSA-N 0 3 300.196 2.273 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](O)C1 ZINC001083872556 1087023813 /nfs/dbraw/zinc/02/38/13/1087023813.db2.gz KJDLKMSOEKLFFZ-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccccc2OC2CCC2)CCC1 ZINC001273154442 1087041443 /nfs/dbraw/zinc/04/14/43/1087041443.db2.gz NXHRRWPCYKROJY-UHFFFAOYSA-N 0 3 312.413 2.493 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](CC)c2c(C)noc2C)CCC1 ZINC001273173243 1087174551 /nfs/dbraw/zinc/17/45/51/1087174551.db2.gz HZOZAEFXYUQFKU-CQSZACIVSA-N 0 3 303.406 2.047 20 30 DEEDHN C=CCCN1CCN(C(=O)[C@](C)(c2ccccc2)N(C)C)CC1 ZINC000957289226 1088151672 /nfs/dbraw/zinc/15/16/72/1088151672.db2.gz UQBAQDPYQBENEO-IBGZPJMESA-N 0 3 315.461 2.184 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn(-c3ccccc3)cn2)C1 ZINC001079740071 1088372942 /nfs/dbraw/zinc/37/29/42/1088372942.db2.gz XAFIBTNCDWUMCB-NVXWUHKLSA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001079900590 1088478106 /nfs/dbraw/zinc/47/81/06/1088478106.db2.gz NEZATNBFUIMLCF-MLGOLLRUSA-N 0 3 311.385 2.210 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001080185841 1088666511 /nfs/dbraw/zinc/66/65/11/1088666511.db2.gz OKVHFVFPWXIIBC-MLGOLLRUSA-N 0 3 308.372 2.438 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001080254208 1088741986 /nfs/dbraw/zinc/74/19/86/1088741986.db2.gz LXKFIJFFTRZGQQ-TZMCWYRMSA-N 0 3 313.873 2.050 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000958309652 1088915976 /nfs/dbraw/zinc/91/59/76/1088915976.db2.gz OWBYPXGBYWFAQS-XJKSGUPXSA-N 0 3 322.836 2.165 20 30 DEEDHN C[C@@H](C(=O)NC[C@H]1CCCCCN1CC#N)N1CCCCCC1 ZINC001276319625 1088972832 /nfs/dbraw/zinc/97/28/32/1088972832.db2.gz MNOVMSIDFHFAEQ-DLBZAZTESA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](O)C1 ZINC000958606855 1089090896 /nfs/dbraw/zinc/09/08/96/1089090896.db2.gz WAZRJPNVPDMKNA-QBPKDAKJSA-N 0 3 308.466 2.188 20 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/nfs/dbraw/zinc/36/60/57/1089366057.db2.gz JMGYOZQCUQDNGT-FUHWJXTLSA-N 0 3 323.396 2.068 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1c1ccccc1 ZINC001081183804 1089369243 /nfs/dbraw/zinc/36/92/43/1089369243.db2.gz YJJIDIWLXOCFCK-DLBZAZTESA-N 0 3 314.404 2.344 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@H](OC)C1 ZINC001081919417 1089547251 /nfs/dbraw/zinc/54/72/51/1089547251.db2.gz SJPUJDVDKLODGT-HUUCEWRRSA-N 0 3 306.406 2.210 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H](OC)C1 ZINC001081974829 1089603233 /nfs/dbraw/zinc/60/32/33/1089603233.db2.gz DTBYOYVNJJVPKF-NQNKBUKLSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001082124418 1089722186 /nfs/dbraw/zinc/72/21/86/1089722186.db2.gz FVJITAIONPAWLV-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H](OC)C1 ZINC001082160762 1089753529 /nfs/dbraw/zinc/75/35/29/1089753529.db2.gz NQBANGXVYVVMRH-IAGOWNOFSA-N 0 3 300.402 2.335 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CN(C)CCC ZINC001082197297 1089760348 /nfs/dbraw/zinc/76/03/48/1089760348.db2.gz ZZKHEGMUXAMJGL-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCc1ccnc(Cl)c1 ZINC000959926934 1089852306 /nfs/dbraw/zinc/85/23/06/1089852306.db2.gz YIYOIQDEMVDQNP-OCCSQVGLSA-N 0 3 320.824 2.365 20 30 DEEDHN CCN(CCC#N)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001166592862 1090175120 /nfs/dbraw/zinc/17/51/20/1090175120.db2.gz FAAMIUFGJKJXCF-GFCCVEGCSA-N 0 3 315.377 2.165 20 30 DEEDHN Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1 ZINC001084235709 1090247289 /nfs/dbraw/zinc/24/72/89/1090247289.db2.gz LCMQHROCRGYDPS-LZLYRXPVSA-N 0 3 311.429 2.496 20 30 DEEDHN CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084236296 1090248563 /nfs/dbraw/zinc/24/85/63/1090248563.db2.gz CUYKWGUOBIYFPU-ZTFGCOKTSA-N 0 3 311.429 2.441 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN([C@@H](C)COC)C[C@H]21 ZINC001084372032 1090280129 /nfs/dbraw/zinc/28/01/29/1090280129.db2.gz CLZMAOFTBRPTRG-IACUBPJLSA-N 0 3 314.857 2.333 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3sc(C)nc3C)[C@@H]2C1 ZINC001084533622 1090320909 /nfs/dbraw/zinc/32/09/09/1090320909.db2.gz ZXCTVNOXHRXGTG-HUUCEWRRSA-N 0 3 319.474 2.411 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)cc1 ZINC001084567811 1090331226 /nfs/dbraw/zinc/33/12/26/1090331226.db2.gz KKWZDEBHIJAIFL-IAGOWNOFSA-N 0 3 300.377 2.174 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(C(F)F)CCCC3)[C@@H]2C1 ZINC001084605119 1090345728 /nfs/dbraw/zinc/34/57/28/1090345728.db2.gz ACYGUZWTPJMJEA-ZIAGYGMSSA-N 0 3 310.388 2.368 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](CC)OC3CCCC3)[C@@H]2C1 ZINC001084695576 1090398681 /nfs/dbraw/zinc/39/86/81/1090398681.db2.gz YIBMWXRXKWKYOQ-KBAYOESNSA-N 0 3 318.461 2.280 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3F)[C@@H]2C1 ZINC001084727941 1090413182 /nfs/dbraw/zinc/41/31/82/1090413182.db2.gz RHWZSNSMZWQRPF-IIDMSEBBSA-N 0 3 314.404 2.485 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCCOC3)[C@@H]2C1 ZINC001084746948 1090420794 /nfs/dbraw/zinc/42/07/94/1090420794.db2.gz UCZIILUKNPJVSZ-GVDBMIGSSA-N 0 3 306.450 2.302 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21 ZINC001084798467 1090449527 /nfs/dbraw/zinc/44/95/27/1090449527.db2.gz OTRHAECNUOYYIW-RTBURBONSA-N 0 3 308.425 2.319 20 30 DEEDHN CCN(CCNCc1ccc(OC)c(C#N)c1)C(=O)C1CCC1 ZINC001273236498 1090476357 /nfs/dbraw/zinc/47/63/57/1090476357.db2.gz CMWZTLWQMDNWTA-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001084987959 1090571317 /nfs/dbraw/zinc/57/13/17/1090571317.db2.gz XLJQLVNOOQITNG-ZACQAIPSSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCCOC3)C[C@@H]21 ZINC001085064426 1090624431 /nfs/dbraw/zinc/62/44/31/1090624431.db2.gz BGGIEZQSRPJAHB-KSZLIROESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3COc4ccccc43)C[C@@H]21 ZINC001085106387 1090649388 /nfs/dbraw/zinc/64/93/88/1090649388.db2.gz ORIPMJWFSNEBKI-NJAFHUGGSA-N 0 3 324.424 2.109 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cnc3[nH]ccc3c1)CC2 ZINC001273390612 1091133379 /nfs/dbraw/zinc/13/33/79/1091133379.db2.gz CKGZJLCAJNYQAS-INIZCTEOSA-N 0 3 324.428 2.467 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC001274468135 1091259042 /nfs/dbraw/zinc/25/90/42/1091259042.db2.gz PGWFIJSJVKSDMK-INIZCTEOSA-N 0 3 317.477 2.280 20 30 DEEDHN CC[C@@H](C)N1CC[C@@]2(CCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001274578926 1091310476 /nfs/dbraw/zinc/31/04/76/1091310476.db2.gz ALKVBGTXYIOHSA-RDTXWAMCSA-N 0 3 312.417 2.176 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cc(F)ccn3)C2)C1=O ZINC001274585197 1091312122 /nfs/dbraw/zinc/31/21/22/1091312122.db2.gz LPIYMIFTPBMDAY-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3nc4ccccc4o3)C2)C1=O ZINC001274612761 1091324633 /nfs/dbraw/zinc/32/46/33/1091324633.db2.gz IBZRHUJDGACLNK-SFHVURJKSA-N 0 3 311.385 2.438 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)CNCc1cc(F)c(OC)c(F)c1 ZINC001274732559 1091389722 /nfs/dbraw/zinc/38/97/22/1091389722.db2.gz AWANHVAEPGFEGQ-GFCCVEGCSA-N 0 3 324.371 2.371 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2ncoc2c1 ZINC001274793840 1091422066 /nfs/dbraw/zinc/42/20/66/1091422066.db2.gz LXOSOTXMQWRROK-HZPDHXFCSA-N 0 3 309.369 2.026 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cc(F)cnc3C)C2)C1=O ZINC001274816441 1091423347 /nfs/dbraw/zinc/42/33/47/1091423347.db2.gz MDKPIAVNNJBHBS-QGZVFWFLSA-N 0 3 303.381 2.140 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC2(CC1)CN(CCC)CCO2 ZINC001274867946 1091456113 /nfs/dbraw/zinc/45/61/13/1091456113.db2.gz QYUMSLXOCHDDNR-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC2(CC1)CN(CCC)CCO2 ZINC001274867949 1091456521 /nfs/dbraw/zinc/45/65/21/1091456521.db2.gz QYUMSLXOCHDDNR-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CNCc2ccccc2F)nc1 ZINC001274992007 1091507222 /nfs/dbraw/zinc/50/72/22/1091507222.db2.gz ZQHBTLHTJGIIJD-CYBMUJFWSA-N 0 3 311.360 2.110 20 30 DEEDHN C=CCOCCN[C@@H]1CN(C(=O)CCC)CC[C@@H]1C(F)(F)F ZINC001279173221 1091512103 /nfs/dbraw/zinc/51/21/03/1091512103.db2.gz NEJKPEKNLVCMMZ-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1noc2ccccc12 ZINC001275121565 1091570523 /nfs/dbraw/zinc/57/05/23/1091570523.db2.gz OVPBBWCRPQRBSY-AWEZNQCLSA-N 0 3 313.401 2.479 20 30 DEEDHN C#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3CCn2ccnc2)cc1 ZINC001275132236 1091576496 /nfs/dbraw/zinc/57/64/96/1091576496.db2.gz OUDKNQRDDJFYKD-BGYRXZFFSA-N 0 3 320.440 2.213 20 30 DEEDHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1C#N ZINC001275373754 1091698897 /nfs/dbraw/zinc/69/88/97/1091698897.db2.gz OCCJAPZIPGWRFJ-OALUTQOASA-N 0 3 321.428 2.439 20 30 DEEDHN C=CCn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cn1 ZINC001275381002 1091702826 /nfs/dbraw/zinc/70/28/26/1091702826.db2.gz CCXNBACIBARXCS-ROUUACIJSA-N 0 3 311.433 2.246 20 30 DEEDHN COc1ccc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)o1 ZINC001275381882 1091703748 /nfs/dbraw/zinc/70/37/48/1091703748.db2.gz IATXQFZITRYRQY-AWEZNQCLSA-N 0 3 312.369 2.048 20 30 DEEDHN COc1ccc(F)cc1CN[C@H](C)[C@@H](C)NC(=O)C#CC1CC1 ZINC001275394688 1091713017 /nfs/dbraw/zinc/71/30/17/1091713017.db2.gz PPGBTUPSRYTAGY-CHWSQXEVSA-N 0 3 318.392 2.231 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCC3CCOCC3)C2)C1 ZINC001671075541 1091728121 /nfs/dbraw/zinc/72/81/21/1091728121.db2.gz TUELTPMXQROPLW-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC001276291396 1091767272 /nfs/dbraw/zinc/76/72/72/1091767272.db2.gz XKFMPHNQJGXFOI-IRXDYDNUSA-N 0 3 306.450 2.330 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2cnc(C)nc2)C1 ZINC001275490001 1091799624 /nfs/dbraw/zinc/79/96/24/1091799624.db2.gz AZPWIMQXTQVHBL-CHWSQXEVSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(F)c(OC)c2)CC1 ZINC000948789950 1091937769 /nfs/dbraw/zinc/93/77/69/1091937769.db2.gz WYSKGVOHBSNTRX-HNNXBMFYSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000948804619 1091945763 /nfs/dbraw/zinc/94/57/63/1091945763.db2.gz PIVRSRUGKLTGND-KRWDZBQOSA-N 0 3 312.413 2.181 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2Cc3ccccc3C2)CC1 ZINC000948805060 1091946633 /nfs/dbraw/zinc/94/66/33/1091946633.db2.gz VJLYCMPTVUINOD-LJQANCHMSA-N 0 3 310.441 2.348 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnn(CCC)c2C)CC1 ZINC000948885516 1091981705 /nfs/dbraw/zinc/98/17/05/1091981705.db2.gz AKPPFCNVNYOHDJ-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1cncn1C ZINC000948935255 1092003154 /nfs/dbraw/zinc/00/31/54/1092003154.db2.gz DCYXVFRGVQVTCM-KRWDZBQOSA-N 0 3 324.428 2.325 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1c[nH]c2cnccc12 ZINC001273728758 1092018870 /nfs/dbraw/zinc/01/88/70/1092018870.db2.gz ZZXOKPSOBZBKNT-IBGZPJMESA-N 0 3 322.412 2.153 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3CCn2ccnc2)cc1 ZINC001275829123 1092191704 /nfs/dbraw/zinc/19/17/04/1092191704.db2.gz RBTUBUKSEJBJCE-KDURUIRLSA-N 0 3 321.428 2.104 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N(C)C1CC(NCc2ccns2)C1 ZINC001279198397 1092250733 /nfs/dbraw/zinc/25/07/33/1092250733.db2.gz ASFVORFHJITGSR-HSBZDZAISA-N 0 3 323.462 2.203 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)SC)C2 ZINC001273833859 1092287034 /nfs/dbraw/zinc/28/70/34/1092287034.db2.gz RBDPMHNXTJFAMX-NVXWUHKLSA-N 0 3 308.491 2.466 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001275970652 1092407295 /nfs/dbraw/zinc/40/72/95/1092407295.db2.gz QLMIQPSDLYQXJG-AWEZNQCLSA-N 0 3 319.449 2.146 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@](CO)(NCc2ccsc2)C1 ZINC001273856935 1092425213 /nfs/dbraw/zinc/42/52/13/1092425213.db2.gz CRRDDKKEKTXDEC-MRXNPFEDSA-N 0 3 308.447 2.157 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001275993369 1092461709 /nfs/dbraw/zinc/46/17/09/1092461709.db2.gz IRJVBQJBJZEDNA-CQSZACIVSA-N 0 3 315.417 2.421 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001488645357 1092656563 /nfs/dbraw/zinc/65/65/63/1092656563.db2.gz TWGVYVITDRPSFU-ZBFHGGJFSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NC(=O)CN(C)C(C)C)CC[C@H]1C ZINC001488681335 1092682395 /nfs/dbraw/zinc/68/23/95/1092682395.db2.gz QRUAUVACHSQBHH-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001488660739 1092698476 /nfs/dbraw/zinc/69/84/76/1092698476.db2.gz XPBDVWJARMMBEZ-QAPCUYQASA-N 0 3 323.481 2.016 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2cccnc2C)C1 ZINC001488774128 1092744022 /nfs/dbraw/zinc/74/40/22/1092744022.db2.gz RWLDXKORTQLIFI-OTVXOJSOSA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2c(C)noc2C)C1 ZINC001488794769 1092774192 /nfs/dbraw/zinc/77/41/92/1092774192.db2.gz VSCWPFZVPLULFA-BETUJISGSA-N 0 3 311.813 2.071 20 30 DEEDHN C=CCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC(C)(C)C)n1 ZINC001489070518 1092903584 /nfs/dbraw/zinc/90/35/84/1092903584.db2.gz BLGFBNDLTQUQBV-UHFFFAOYSA-N 0 3 320.437 2.290 20 30 DEEDHN C=C(C)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2(C)CCC2)n1 ZINC001489079600 1092904071 /nfs/dbraw/zinc/90/40/71/1092904071.db2.gz SRVICJNIFRQAFL-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)CCCF)CC2)C1 ZINC001489222736 1092968919 /nfs/dbraw/zinc/96/89/19/1092968919.db2.gz KVLVACQKKVPOFN-INIZCTEOSA-N 0 3 312.429 2.252 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001490105143 1093200405 /nfs/dbraw/zinc/20/04/05/1093200405.db2.gz MMIWLUQPJKGPON-QLFBSQMISA-N 0 3 323.481 2.035 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ncc(Cl)cc1Cl ZINC001490261006 1093286292 /nfs/dbraw/zinc/28/62/92/1093286292.db2.gz FCPZQRAKQUYYCJ-UHFFFAOYSA-N 0 3 300.189 2.073 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1cc(C)c(Cl)cn1)C1CC1 ZINC001490376603 1093332711 /nfs/dbraw/zinc/33/27/11/1093332711.db2.gz DZFOMUPAKOREGK-UHFFFAOYSA-N 0 3 319.836 2.190 20 30 DEEDHN CC(C)C#CC(=O)N(C)C1CCN(CCOCC(C)C)CC1 ZINC001490406350 1093366312 /nfs/dbraw/zinc/36/63/12/1093366312.db2.gz DNLZEUCZDUVBJR-UHFFFAOYSA-N 0 3 308.466 2.241 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCOc2ccccc2)CC1 ZINC001490608255 1093445628 /nfs/dbraw/zinc/44/56/28/1093445628.db2.gz GACQZQFCGSUDLA-KRWDZBQOSA-N 0 3 312.413 2.059 20 30 DEEDHN C=C[C@](C)(O)CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001252555415 1093576066 /nfs/dbraw/zinc/57/60/66/1093576066.db2.gz UOXNDTAUBQOABE-SKDRFNHKSA-N 0 3 305.300 2.205 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2CCCOc2ccccc2)C1=O ZINC001273968038 1093587343 /nfs/dbraw/zinc/58/73/43/1093587343.db2.gz GESSQZDHOOAMQC-IBGZPJMESA-N 0 3 312.413 2.156 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)NCc2ccc(COCC)cc2)C1 ZINC000886360321 1093744815 /nfs/dbraw/zinc/74/48/15/1093744815.db2.gz UMCVACITVIRZMK-KRWDZBQOSA-N 0 3 314.429 2.185 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cc(C)c[nH]c2=O)C1=O ZINC001274092265 1093795062 /nfs/dbraw/zinc/79/50/62/1093795062.db2.gz HWIWEDCFCXCYDA-GOSISDBHSA-N 0 3 315.417 2.239 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCc2cc(C)ns2)C1 ZINC001274188766 1093840697 /nfs/dbraw/zinc/84/06/97/1093840697.db2.gz KETOZIACPLXMEB-SWLSCSKDSA-N 0 3 305.447 2.192 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cccnc1C(F)(F)F ZINC001329561420 1148923503 /nfs/dbraw/zinc/92/35/03/1148923503.db2.gz RUOUKAAQLLHSNM-JTQLQIEISA-N 0 3 301.312 2.337 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2ccsc2C)[C@H]1C ZINC001691730886 1138215503 /nfs/dbraw/zinc/21/55/03/1138215503.db2.gz RCGOFPXDYXXNKB-CJNGLKHVSA-N 0 3 322.474 2.381 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001691740134 1138260016 /nfs/dbraw/zinc/26/00/16/1138260016.db2.gz KQRXXMVKGJYDHA-DAYGRLMNSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)CC[N@@H+](CCCNC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001691744449 1138280033 /nfs/dbraw/zinc/28/00/33/1138280033.db2.gz RPVPBARXGBGZJL-UHFFFAOYSA-N 0 3 320.437 2.287 20 30 DEEDHN C=C(C)CC[N@H+](CCCNC(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001691744449 1138280037 /nfs/dbraw/zinc/28/00/37/1138280037.db2.gz RPVPBARXGBGZJL-UHFFFAOYSA-N 0 3 320.437 2.287 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235798537 1138332778 /nfs/dbraw/zinc/33/27/78/1138332778.db2.gz SCWTWGVWUZUQAO-MRXNPFEDSA-N 0 3 318.465 2.426 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235798989 1138332797 /nfs/dbraw/zinc/33/27/97/1138332797.db2.gz UHIBBUXVASEUQR-MRXNPFEDSA-N 0 3 318.465 2.426 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CCCc2cccnc2)CC1 ZINC001278079420 1138560208 /nfs/dbraw/zinc/56/02/08/1138560208.db2.gz HTVFZUFHJJZUNU-UHFFFAOYSA-N 0 3 313.445 2.398 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3c[nH]ccc3=O)C2)cc1 ZINC001237844046 1138803397 /nfs/dbraw/zinc/80/33/97/1138803397.db2.gz JIXACOBCACKEJM-KRWDZBQOSA-N 0 3 309.369 2.290 20 30 DEEDHN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(CCOCC(C)C)CC1 ZINC001278169460 1138810674 /nfs/dbraw/zinc/81/06/74/1138810674.db2.gz MZYGMTNJMFDUID-SJLPKXTDSA-N 0 3 320.477 2.241 20 30 DEEDHN N#CCC1CN(C(=O)[C@]23C[C@H]2CCN3CCCc2ccccc2)C1 ZINC001278199560 1138832919 /nfs/dbraw/zinc/83/29/19/1138832919.db2.gz WXWXFYKLNXFQDC-QUCCMNQESA-N 0 3 323.440 2.456 20 30 DEEDHN C#CCNC[C@@H](NC(=O)[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC001278207357 1138836974 /nfs/dbraw/zinc/83/69/74/1138836974.db2.gz PVSGWLVDRJUDJI-RTBURBONSA-N 0 3 322.408 2.399 20 30 DEEDHN C=CCNC(=O)N1CCC[C@@H](NCOCC[Si](C)(C)C)C1 ZINC001239293430 1139016828 /nfs/dbraw/zinc/01/68/28/1139016828.db2.gz LOOOTAOKFXFQRY-CQSZACIVSA-N 0 3 313.518 2.248 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001295203462 1139351203 /nfs/dbraw/zinc/35/12/03/1139351203.db2.gz MZQCLVLNKYWRBI-OKILXGFUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCC(=O)NC1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001295387854 1139379924 /nfs/dbraw/zinc/37/99/24/1139379924.db2.gz BAUJRVAGWDRLDE-VMBOVVBDSA-N 0 3 323.481 2.082 20 30 DEEDHN CN1CCN(C2(c3ccc(-c4cncc(C#N)n4)cc3)CC2)CC1 ZINC001240573784 1139433642 /nfs/dbraw/zinc/43/36/42/1139433642.db2.gz TZYMZVDDFXEMGL-UHFFFAOYSA-N 0 3 319.412 2.252 20 30 DEEDHN C=CCCC(=O)N1CCC([C@H](C)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001296645003 1139811595 /nfs/dbraw/zinc/81/15/95/1139811595.db2.gz QKZIQDFMAOKPNQ-HOCLYGCPSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](OCC)C(C)C)C2 ZINC001278334698 1139845829 /nfs/dbraw/zinc/84/58/29/1139845829.db2.gz DRDKEBXTHZKLDZ-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC001278337382 1139858426 /nfs/dbraw/zinc/85/84/26/1139858426.db2.gz VHVXRCHGEFHEIV-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001298839338 1140088697 /nfs/dbraw/zinc/08/86/97/1140088697.db2.gz XFASLUHNAMOGNO-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001491672044 1140277419 /nfs/dbraw/zinc/27/74/19/1140277419.db2.gz CTUJZMVQVQUUHN-LLVKDONJSA-N 0 3 302.403 2.164 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001318469528 1140340892 /nfs/dbraw/zinc/34/08/92/1140340892.db2.gz FCKGXQWMWNKPSL-MRXNPFEDSA-N 0 3 317.433 2.129 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC(C)(C)C)NCc1cccc(OC)n1 ZINC001318525847 1140358876 /nfs/dbraw/zinc/35/88/76/1140358876.db2.gz ZACJMZRNMUHRBZ-AWEZNQCLSA-N 0 3 317.433 2.124 20 30 DEEDHN CCOCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001318613985 1140372959 /nfs/dbraw/zinc/37/29/59/1140372959.db2.gz PSIVBWCSSXVMII-UHFFFAOYSA-N 0 3 314.429 2.093 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2ccnc(C)n2)C1 ZINC001318855160 1140439610 /nfs/dbraw/zinc/43/96/10/1140439610.db2.gz RNMYATSCOPKZRS-AWEZNQCLSA-N 0 3 322.840 2.369 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)c2cc(C)co2)CC1 ZINC001319029887 1140492808 /nfs/dbraw/zinc/49/28/08/1140492808.db2.gz NVEPUGGIGYQIGX-UHFFFAOYSA-N 0 3 318.417 2.070 20 30 DEEDHN Cc1nocc1C(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001278399348 1140540439 /nfs/dbraw/zinc/54/04/39/1140540439.db2.gz XDDGKCYZXHTBKS-YOEHRIQHSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)C1(C)CC(=C)C1)CC2 ZINC001319404454 1140564684 /nfs/dbraw/zinc/56/46/84/1140564684.db2.gz DOORPHYFCAXYFK-UHFFFAOYSA-N 0 3 318.461 2.470 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)C1CC2(CCC2)C1 ZINC001319621522 1140626734 /nfs/dbraw/zinc/62/67/34/1140626734.db2.gz OGASCTGYVMQUFK-KRWDZBQOSA-N 0 3 320.477 2.337 20 30 DEEDHN CC(C)[C@H](CNC(=O)CSCC#N)NCc1ccccc1F ZINC001319897738 1140801196 /nfs/dbraw/zinc/80/11/96/1140801196.db2.gz AHQBJEZQQNSSMW-HNNXBMFYSA-N 0 3 323.437 2.313 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001320043243 1140816167 /nfs/dbraw/zinc/81/61/67/1140816167.db2.gz VMSUUEQSGKFODI-CQSZACIVSA-N 0 3 318.408 2.405 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ccn(CC)n1 ZINC001320133848 1140826895 /nfs/dbraw/zinc/82/68/95/1140826895.db2.gz KGLHUOOFDWASIW-DOTOQJQBSA-N 0 3 316.449 2.081 20 30 DEEDHN C[C@@H](CCNCc1cccc(F)c1F)NC(=O)C#CC1CC1 ZINC001320422159 1140863422 /nfs/dbraw/zinc/86/34/22/1140863422.db2.gz IJBKTVSAECMFCW-LBPRGKRZSA-N 0 3 306.356 2.363 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001320456897 1140867526 /nfs/dbraw/zinc/86/75/26/1140867526.db2.gz XFFLESBXWWMKHK-JTQLQIEISA-N 0 3 323.780 2.384 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nc(C)n2ccccc12 ZINC001320492564 1140871961 /nfs/dbraw/zinc/87/19/61/1140871961.db2.gz SRORDKCXTPAHIQ-LBPRGKRZSA-N 0 3 320.824 2.493 20 30 DEEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)Cc1ccco1 ZINC001320583213 1140881831 /nfs/dbraw/zinc/88/18/31/1140881831.db2.gz ZVBQLODDOWVFQF-AWEZNQCLSA-N 0 3 311.385 2.378 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)COC(C)(C)C ZINC001320716754 1140898213 /nfs/dbraw/zinc/89/82/13/1140898213.db2.gz NNESGCDJDFVCMN-UHFFFAOYSA-N 0 3 323.462 2.373 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001320849716 1140954419 /nfs/dbraw/zinc/95/44/19/1140954419.db2.gz CTMNGXXXYWXIHC-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@H]1OCc2ccccc21 ZINC001320913214 1140986781 /nfs/dbraw/zinc/98/67/81/1140986781.db2.gz OVLLYWRAZIDJIB-QGZVFWFLSA-N 0 3 300.402 2.109 20 30 DEEDHN Cc1ccc(F)cc1CNC/C=C/CNC(=O)CSCC#N ZINC001320972931 1141014167 /nfs/dbraw/zinc/01/41/67/1141014167.db2.gz SPXTVBXHVMTAJJ-NSCUHMNNSA-N 0 3 321.421 2.153 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)[C@H]2CCC2(F)F)c1 ZINC001321111730 1141055588 /nfs/dbraw/zinc/05/55/88/1141055588.db2.gz LHXQFLWWTWEPFZ-BGTMTDRBSA-N 0 3 319.355 2.366 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)C1(CC(C)C)CCC1 ZINC001321149695 1141067072 /nfs/dbraw/zinc/06/70/72/1141067072.db2.gz HSNGPJIEZVAERY-SNAWJCMRSA-N 0 3 306.450 2.115 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001321333453 1141174965 /nfs/dbraw/zinc/17/49/65/1141174965.db2.gz CEPKUEZHFAQBNZ-ZPIQOJFGSA-N 0 3 315.417 2.158 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)c1cc[nH]c1 ZINC001321523988 1141301224 /nfs/dbraw/zinc/30/12/24/1141301224.db2.gz YWNOAJVCEHUVED-CYBMUJFWSA-N 0 3 315.804 2.428 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@](C)(CN[C@@H](C)c2cnccn2)C1 ZINC001278484769 1141348774 /nfs/dbraw/zinc/34/87/74/1141348774.db2.gz NGLVRZLHTYNOSB-YJBOKZPZSA-N 0 3 314.433 2.169 20 30 DEEDHN Cc1ncc(CNC[C@]2(C)CCN(C(=O)C#CC(C)(C)C)C2)o1 ZINC001278491434 1141417574 /nfs/dbraw/zinc/41/75/74/1141417574.db2.gz PSKPPSRZDSUGNF-SFHVURJKSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC001322195800 1141451336 /nfs/dbraw/zinc/45/13/36/1141451336.db2.gz JVWYMRBYHBVLEK-ABAIWWIYSA-N 0 3 308.809 2.266 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H]2CCN2CCC)cc1 ZINC001323226032 1141829614 /nfs/dbraw/zinc/82/96/14/1141829614.db2.gz LZDJRGCFAVNXJV-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN N#Cc1cc(F)cc(-c2noc([C@@H]3CNCCC3(F)F)n2)c1 ZINC001248902843 1141833150 /nfs/dbraw/zinc/83/31/50/1141833150.db2.gz HBXFKVMMEHMSMH-NSHDSACASA-N 0 3 308.263 2.460 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001323259144 1141833713 /nfs/dbraw/zinc/83/37/13/1141833713.db2.gz QXHOWPYBQXGFCP-STQMWFEESA-N 0 3 302.422 2.057 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001323307760 1141840634 /nfs/dbraw/zinc/84/06/34/1141840634.db2.gz GLXHCQQAYPFNFQ-RDJZCZTQSA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001323336834 1141843227 /nfs/dbraw/zinc/84/32/27/1141843227.db2.gz TTWODNLEDLTVRT-INIZCTEOSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CN(CC)c1ccccc1 ZINC001323356105 1141845355 /nfs/dbraw/zinc/84/53/55/1141845355.db2.gz HWRMHVGBMVBYDL-QGZVFWFLSA-N 0 3 301.434 2.280 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CN(CC)c1ccccc1 ZINC001323356103 1141845605 /nfs/dbraw/zinc/84/56/05/1141845605.db2.gz HWRMHVGBMVBYDL-KRWDZBQOSA-N 0 3 301.434 2.280 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NC[C@@H](O)c2ccccc2F)CC1 ZINC001323457867 1141855208 /nfs/dbraw/zinc/85/52/08/1141855208.db2.gz QSOFFNNKEXDSDA-MRXNPFEDSA-N 0 3 320.408 2.454 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc(F)cc3OC)no2)CCCN1 ZINC001249351716 1141877524 /nfs/dbraw/zinc/87/75/24/1141877524.db2.gz DOZQCJXCNLQHNM-MRXNPFEDSA-N 0 3 301.321 2.486 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)CC#Cc3ccccc3)C2)CC1 ZINC001323834898 1141890766 /nfs/dbraw/zinc/89/07/66/1141890766.db2.gz FEUYKJZPBXLZMH-UHFFFAOYSA-N 0 3 320.436 2.376 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](CCC)OCC)C2)C1 ZINC001323858841 1141893522 /nfs/dbraw/zinc/89/35/22/1141893522.db2.gz GLYGKPYIYDZDQQ-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN COC(=O)c1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001249601665 1141949947 /nfs/dbraw/zinc/94/99/47/1141949947.db2.gz ZFIUREGCGFLPCV-CQSZACIVSA-N 0 3 321.373 2.386 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001324020971 1141959255 /nfs/dbraw/zinc/95/92/55/1141959255.db2.gz CWBGRHNAKLUORV-DLBZAZTESA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CC(C)=C(C)C ZINC001324214072 1142031953 /nfs/dbraw/zinc/03/19/53/1142031953.db2.gz VBXWMETUEGHXOS-CVEARBPZSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNCC(=O)NC(C)(C)C ZINC001324226429 1142035105 /nfs/dbraw/zinc/03/51/05/1142035105.db2.gz RVVMOFUCPFCQME-KBXCAEBGSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001324342749 1142058918 /nfs/dbraw/zinc/05/89/18/1142058918.db2.gz LODMDLJSLACILY-ZDUSSCGKSA-N 0 3 318.465 2.362 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(Cc2ccccc2N(C)C)CC1 ZINC001324352200 1142060392 /nfs/dbraw/zinc/06/03/92/1142060392.db2.gz BCYVKBAZDNGCIN-UHFFFAOYSA-N 0 3 313.445 2.199 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@H](CC)CCC)C2)CC1 ZINC001324353803 1142061762 /nfs/dbraw/zinc/06/17/62/1142061762.db2.gz WXXVFDCUBLHFFD-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C(=O)CCCF)C1CCN(CCOC2CCC2)CC1 ZINC001324414320 1142073418 /nfs/dbraw/zinc/07/34/18/1142073418.db2.gz WBFJGEYYPODLKJ-UHFFFAOYSA-N 0 3 324.440 2.231 20 30 DEEDHN C#CCN(C(=O)CC1CCCCCC1)C1CCN(CCO)CC1 ZINC001324427425 1142076281 /nfs/dbraw/zinc/07/62/81/1142076281.db2.gz YOTSQVOJDWUIIY-UHFFFAOYSA-N 0 3 320.477 2.265 20 30 DEEDHN COc1nc(OC)c(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001250330017 1142152509 /nfs/dbraw/zinc/15/25/09/1142152509.db2.gz JQDYCDXDMIQZLH-CYBMUJFWSA-N 0 3 320.414 2.181 20 30 DEEDHN N#C[C@@H]1CCCN(C[C@@H](O)COc2ccc(F)cc2F)CC1 ZINC001250856216 1142337679 /nfs/dbraw/zinc/33/76/79/1142337679.db2.gz DWGSADKBMWTOQG-TZMCWYRMSA-N 0 3 310.344 2.330 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCC(O)(C(=O)OC)CC1 ZINC001252134823 1142653580 /nfs/dbraw/zinc/65/35/80/1142653580.db2.gz ZDYWXKNDAZLLFG-OAHLLOKOSA-N 0 3 315.454 2.098 20 30 DEEDHN CCCCCCCC[C@@H](O)CNC1CN(c2ccncn2)C1 ZINC001252140128 1142654810 /nfs/dbraw/zinc/65/48/10/1142654810.db2.gz ZIKKFENYWZNGDN-MRXNPFEDSA-N 0 3 306.454 2.366 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2cc(OC)no2)C1 ZINC001278662340 1142681977 /nfs/dbraw/zinc/68/19/77/1142681977.db2.gz BJNSPGZABOQMAR-QGZVFWFLSA-N 0 3 321.421 2.020 20 30 DEEDHN C=CCC[C@H](O)CNc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(C)n1 ZINC001252590930 1142773534 /nfs/dbraw/zinc/77/35/34/1142773534.db2.gz GDYLJJXRDDHGIE-YDHLFZDLSA-N 0 3 320.437 2.138 20 30 DEEDHN C=CCC[C@H](O)CN1CC2(C1)CCN(C(=O)OC(C)(C)C)C2 ZINC001252594335 1142775198 /nfs/dbraw/zinc/77/51/98/1142775198.db2.gz WJCTUEARESWMEN-AWEZNQCLSA-N 0 3 310.438 2.256 20 30 DEEDHN C=CCC[C@@H](O)CN1CC2(C1)CCN(Cc1csc(C)n1)C2 ZINC001252599187 1142781645 /nfs/dbraw/zinc/78/16/45/1142781645.db2.gz XYYKADRYSBAEGX-MRXNPFEDSA-N 0 3 321.490 2.286 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001252601612 1142783449 /nfs/dbraw/zinc/78/34/49/1142783449.db2.gz AHSUTBBQJNCWHA-SFHVURJKSA-N 0 3 316.445 2.091 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cncn1Cc1cccc(F)c1 ZINC001252622020 1142793477 /nfs/dbraw/zinc/79/34/77/1142793477.db2.gz MNVZXNLFGYNFBG-QGZVFWFLSA-N 0 3 303.381 2.487 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC001338099662 1142828767 /nfs/dbraw/zinc/82/87/67/1142828767.db2.gz UWLPYSPUOKFGHA-UHFFFAOYSA-N 0 3 315.417 2.211 20 30 DEEDHN C=CCCCCCC[C@@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC001253242192 1142857007 /nfs/dbraw/zinc/85/70/07/1142857007.db2.gz IFOXDYACDKEFNL-QGZVFWFLSA-N 0 3 312.498 2.262 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H](O)CNC(C)(C)c1ccc(C#N)cc1 ZINC001253701029 1142894318 /nfs/dbraw/zinc/89/43/18/1142894318.db2.gz ZIRIDZGYNKRIOE-AWEZNQCLSA-N 0 3 304.390 2.086 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@@](C)(O)CC ZINC001339026750 1142903780 /nfs/dbraw/zinc/90/37/80/1142903780.db2.gz ZJDRZMZRNOLHRQ-ZQIUZPCESA-N 0 3 321.469 2.001 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@](C)(O)CC ZINC001339026747 1142903870 /nfs/dbraw/zinc/90/38/70/1142903870.db2.gz ZJDRZMZRNOLHRQ-GRDNDAEWSA-N 0 3 321.469 2.001 20 30 DEEDHN O=C1C=C(NCC2(O)CCN(Cc3ccccc3)CC2)CCC1 ZINC001254047873 1143031243 /nfs/dbraw/zinc/03/12/43/1143031243.db2.gz YKHAMHGKPPRLFR-UHFFFAOYSA-N 0 3 314.429 2.240 20 30 DEEDHN C=CCOCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C ZINC001339752036 1143093522 /nfs/dbraw/zinc/09/35/22/1143093522.db2.gz ILDLAUDSFPFKNK-UHFFFAOYSA-N 0 3 321.469 2.076 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)NCC(=O)N1CCCCC1 ZINC001339922610 1143180551 /nfs/dbraw/zinc/18/05/51/1143180551.db2.gz JJQHAWAKLMYUBJ-HNNXBMFYSA-N 0 3 311.470 2.193 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)CCCCOC ZINC001340207143 1143301935 /nfs/dbraw/zinc/30/19/35/1143301935.db2.gz LHYHTIFTBZRMMT-HNNXBMFYSA-N 0 3 321.469 2.136 20 30 DEEDHN CC[C@@H](CC#N)N[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254807726 1143326961 /nfs/dbraw/zinc/32/69/61/1143326961.db2.gz OWQFDNAWBXXNEX-UONOGXRCSA-N 0 3 323.437 2.437 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN([C@H](C)CC)CC1 ZINC001340456481 1143350238 /nfs/dbraw/zinc/35/02/38/1143350238.db2.gz KGHIYLXLECXNMB-RBSFLKMASA-N 0 3 314.437 2.012 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OCC)c(OC)c1 ZINC001340553490 1143370089 /nfs/dbraw/zinc/37/00/89/1143370089.db2.gz NYVGKLDXWBSFKJ-AWEZNQCLSA-N 0 3 306.406 2.394 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@@]1(O)CCN(CC=C)C1)c1ccccc1 ZINC001278829101 1143372679 /nfs/dbraw/zinc/37/26/79/1143372679.db2.gz VBTBYFWZRYAGAY-MJGOQNOKSA-N 0 3 314.429 2.085 20 30 DEEDHN CC1(C)CCN(CCNC(=O)c2ccc(C#N)c(Cl)n2)C1 ZINC001340841321 1143462969 /nfs/dbraw/zinc/46/29/69/1143462969.db2.gz JRIWUNANIHEOOK-UHFFFAOYSA-N 0 3 306.797 2.068 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@H]1CNCCN1C)c1ccccc1 ZINC001341606301 1143637334 /nfs/dbraw/zinc/63/73/34/1143637334.db2.gz AGQWPAIDIKKSPC-DLBZAZTESA-N 0 3 301.434 2.104 20 30 DEEDHN C=C(C)Cn1c(C2CCN(C)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001341755443 1143694897 /nfs/dbraw/zinc/69/48/97/1143694897.db2.gz HPYYQJFVWHFDEB-AWEZNQCLSA-N 0 3 316.453 2.402 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC001341774771 1143700435 /nfs/dbraw/zinc/70/04/35/1143700435.db2.gz CVUIILZZOFZRTN-INIZCTEOSA-N 0 3 323.481 2.310 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1csc2ccccc12 ZINC001278869362 1143716152 /nfs/dbraw/zinc/71/61/52/1143716152.db2.gz RMTMDRPQLXYVGJ-ZDUSSCGKSA-N 0 3 318.442 2.452 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H]1CCOC(C)(C)C1 ZINC001255543669 1143740330 /nfs/dbraw/zinc/74/03/30/1143740330.db2.gz WDEQZOVRSFZJRK-ZBFHGGJFSA-N 0 3 319.449 2.480 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1c(C)cccc1Cl ZINC001278873120 1143767815 /nfs/dbraw/zinc/76/78/15/1143767815.db2.gz AJPMCKBLRBGIRU-CYBMUJFWSA-N 0 3 310.825 2.199 20 30 DEEDHN C[C@@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC001342565706 1143824299 /nfs/dbraw/zinc/82/42/99/1143824299.db2.gz IEFBCTGNFBCZHL-TZMCWYRMSA-N 0 3 315.373 2.467 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1cnnn1C)C(C)(C)C ZINC001278996171 1143890336 /nfs/dbraw/zinc/89/03/36/1143890336.db2.gz UBRIWARCOQHOND-RHSMWYFYSA-N 0 3 321.469 2.038 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN([C@@H](C)Cc2cccnc2)C1 ZINC001258632932 1144028430 /nfs/dbraw/zinc/02/84/30/1144028430.db2.gz OLROVHVVMYTMHG-GOEBONIOSA-N 0 3 303.406 2.389 20 30 DEEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001299542611 1144052721 /nfs/dbraw/zinc/05/27/21/1144052721.db2.gz FDTZDHIDGLLNOV-FUHWJXTLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001299542612 1144053219 /nfs/dbraw/zinc/05/32/19/1144053219.db2.gz FDTZDHIDGLLNOV-SJLPKXTDSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC001262231013 1144300465 /nfs/dbraw/zinc/30/04/65/1144300465.db2.gz RUDIIZWPSMVNMB-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1ccc(Br)nc1N[C@@H]1CCN(C2CC2)C1 ZINC001262680410 1144326896 /nfs/dbraw/zinc/32/68/96/1144326896.db2.gz CAAZLFQUJKFTJB-SNVBAGLBSA-N 0 3 307.195 2.364 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2CCN(CC3CC3)CC2)n1CC ZINC001263058402 1144352995 /nfs/dbraw/zinc/35/29/95/1144352995.db2.gz IBOWIARJFMRHFS-UHFFFAOYSA-N 0 3 315.465 2.131 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001264032392 1144445735 /nfs/dbraw/zinc/44/57/35/1144445735.db2.gz KZTCARPASBFCJZ-RERJVKLQSA-N 0 3 324.852 2.110 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2c(C)oc(C)c2C)C1 ZINC001264076421 1144458554 /nfs/dbraw/zinc/45/85/54/1144458554.db2.gz CWDNOIQNBJYLCG-MRXNPFEDSA-N 0 3 320.433 2.290 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1csc(C)c1C ZINC001264106309 1144467881 /nfs/dbraw/zinc/46/78/81/1144467881.db2.gz WSJBNHQGUSLRAC-UHFFFAOYSA-N 0 3 308.447 2.019 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccc(F)cc1 ZINC001264595956 1144574232 /nfs/dbraw/zinc/57/42/32/1144574232.db2.gz CDISSBOOADVSSN-IAGOWNOFSA-N 0 3 320.408 2.322 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001265009825 1144624391 /nfs/dbraw/zinc/62/43/91/1144624391.db2.gz HAWUFOIGYTXVJM-DLBZAZTESA-N 0 3 320.477 2.313 20 30 DEEDHN CC#CCN(CCCNC(=O)c1coc(C2CC2)n1)C1CC1 ZINC001265177557 1144660751 /nfs/dbraw/zinc/66/07/51/1144660751.db2.gz WPWXLUUXLINIRE-UHFFFAOYSA-N 0 3 301.390 2.160 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccnc(OC(C)C)c1)C1CC1 ZINC001265181289 1144662014 /nfs/dbraw/zinc/66/20/14/1144662014.db2.gz VYCUWQPRIIKIBR-UHFFFAOYSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001265218631 1144669801 /nfs/dbraw/zinc/66/98/01/1144669801.db2.gz JDOSMLFHDLTYFX-CJNGLKHVSA-N 0 3 317.433 2.389 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCc2cccc(OCC)c2)C1 ZINC001265460903 1144705313 /nfs/dbraw/zinc/70/53/13/1144705313.db2.gz DBIFQLLFRYNQSF-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C[C@H](C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)n1cccc1 ZINC001265534784 1144710067 /nfs/dbraw/zinc/71/00/67/1144710067.db2.gz NNURWBKFOQJEQN-QRQLOZEOSA-N 0 3 321.424 2.338 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001265596325 1144716678 /nfs/dbraw/zinc/71/66/78/1144716678.db2.gz AFQOESXAMRZSDI-QZTJIDSGSA-N 0 3 316.420 2.419 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1ccc(C)nc1 ZINC001265657429 1144723566 /nfs/dbraw/zinc/72/35/66/1144723566.db2.gz CMHSCBPOQNTEDS-KRWDZBQOSA-N 0 3 301.434 2.479 20 30 DEEDHN C=CCCCC(=O)NC1CCC(NCc2nccn2C)CC1 ZINC001265739518 1144736121 /nfs/dbraw/zinc/73/61/21/1144736121.db2.gz OVCYASHEIMGTQM-UHFFFAOYSA-N 0 3 304.438 2.293 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2ncccc2C)C1 ZINC001265892834 1144751503 /nfs/dbraw/zinc/75/15/03/1144751503.db2.gz QUJHFZVNZCLUKU-HOTGVXAUSA-N 0 3 317.433 2.062 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H](C)n1cnc2ccccc21 ZINC001265948202 1144766302 /nfs/dbraw/zinc/76/63/02/1144766302.db2.gz KPEDJOQNIMESTP-HNNXBMFYSA-N 0 3 312.417 2.059 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)cn3ccnc23)C1 ZINC001266106151 1144805973 /nfs/dbraw/zinc/80/59/73/1144805973.db2.gz ZGUZIVXKYUBWQE-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001266145955 1144809598 /nfs/dbraw/zinc/80/95/98/1144809598.db2.gz HTBRYIWPHCKSDO-STQMWFEESA-N 0 3 315.421 2.411 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001266145953 1144809692 /nfs/dbraw/zinc/80/96/92/1144809692.db2.gz HTBRYIWPHCKSDO-OLZOCXBDSA-N 0 3 315.421 2.411 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCc2cc(C)no2)cc1 ZINC001266167239 1144811203 /nfs/dbraw/zinc/81/12/03/1144811203.db2.gz QQDWSLXWCSXRPQ-ZDUSSCGKSA-N 0 3 311.385 2.263 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](CCC)OCC)CC1 ZINC001279147090 1144818921 /nfs/dbraw/zinc/81/89/21/1144818921.db2.gz XCMUYNDKHIWQHM-RDJZCZTQSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC1(C2CCN(C[C@H](F)CC)CC2)CC1 ZINC001279360190 1144821195 /nfs/dbraw/zinc/82/11/95/1144821195.db2.gz ISTNHEAACVZMLK-GDBMZVCRSA-N 0 3 324.440 2.134 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)OCC(C)C)CC2)CC1 ZINC001279352647 1144821242 /nfs/dbraw/zinc/82/12/42/1144821242.db2.gz IXAVKQPUJVQHDF-INIZCTEOSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCOCC(=O)NCC1=CCN(Cc2ccc(C)cc2)CC1 ZINC001279521714 1144823720 /nfs/dbraw/zinc/82/37/20/1144823720.db2.gz XFYHHMNHAQOBKR-UHFFFAOYSA-N 0 3 314.429 2.446 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@H](C)n1cccn1 ZINC001280316519 1144835521 /nfs/dbraw/zinc/83/55/21/1144835521.db2.gz ZRFJOMXKLJCEQF-INIZCTEOSA-N 0 3 324.428 2.216 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)CCC1 ZINC001280521608 1144843505 /nfs/dbraw/zinc/84/35/05/1144843505.db2.gz TWRROFOACWENQN-CQSZACIVSA-N 0 3 312.413 2.275 20 30 DEEDHN C#CCNC1(CNC(=O)c2cccc(-c3cnco3)c2)CCC1 ZINC001280526503 1144843799 /nfs/dbraw/zinc/84/37/99/1144843799.db2.gz RSULLYVHHZHPPT-UHFFFAOYSA-N 0 3 309.369 2.217 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNC/C=C/Cl)C1 ZINC001280628348 1144847293 /nfs/dbraw/zinc/84/72/93/1144847293.db2.gz JCVFQIWHFUTWHL-RPWHMATFSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001280708644 1144850043 /nfs/dbraw/zinc/85/00/43/1144850043.db2.gz LRRJCOYFKJBQIM-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CN(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001281019581 1144868762 /nfs/dbraw/zinc/86/87/62/1144868762.db2.gz FODJRBBWPKSVRD-GDBMZVCRSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001281389179 1144886521 /nfs/dbraw/zinc/88/65/21/1144886521.db2.gz CHRHMIDKILTANF-WMZOPIPTSA-N 0 3 321.424 2.425 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001316611615 1144893967 /nfs/dbraw/zinc/89/39/67/1144893967.db2.gz VMOQGTVTGTXMSO-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccccc2F)C[C@H]1C ZINC001281684263 1144907603 /nfs/dbraw/zinc/90/76/03/1144907603.db2.gz JSNQQSPZAJOFDJ-HUUCEWRRSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccccc2CC)C[C@H]1C ZINC001281684128 1144907707 /nfs/dbraw/zinc/90/77/07/1144907707.db2.gz IYXLCXOJZJXCPS-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN CO[C@H](C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C#CC(C)C ZINC001281905061 1144919311 /nfs/dbraw/zinc/91/93/11/1144919311.db2.gz FBOLOFWTYWGVFO-LSBZLQRGSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CC(CNCc2nccn2C)C1 ZINC001282066170 1144946834 /nfs/dbraw/zinc/94/68/34/1144946834.db2.gz VTOPXQZOTQEJAX-UHFFFAOYSA-N 0 3 304.438 2.007 20 30 DEEDHN COCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001282097794 1144974283 /nfs/dbraw/zinc/97/42/83/1144974283.db2.gz NDXRCELZOCSFAF-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN CCCOCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001282096156 1144975360 /nfs/dbraw/zinc/97/53/60/1144975360.db2.gz IZKGHXAICPXYBQ-VXGBXAGGSA-N 0 3 309.435 2.029 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282116384 1144988195 /nfs/dbraw/zinc/98/81/95/1144988195.db2.gz YGYHLLCEGKNTPV-LSDHHAIUSA-N 0 3 309.413 2.471 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NCc2ncccc2C)nc1 ZINC001282215795 1145014474 /nfs/dbraw/zinc/01/44/74/1145014474.db2.gz DKNSIQVJCJPTBV-CABCVRRESA-N 0 3 322.412 2.063 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001282736749 1145154003 /nfs/dbraw/zinc/15/40/03/1145154003.db2.gz HHIKDPMYWCJJCJ-AWEZNQCLSA-N 0 3 314.429 2.272 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC001282786489 1145164350 /nfs/dbraw/zinc/16/43/50/1145164350.db2.gz HXNJGOKJOFNPHT-LBPRGKRZSA-N 0 3 308.451 2.253 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@](C)(C=C)CCOC)C2)C1 ZINC001282968578 1145219485 /nfs/dbraw/zinc/21/94/85/1145219485.db2.gz VLTNQNJIQXVJQW-QGZVFWFLSA-N 0 3 306.450 2.326 20 30 DEEDHN C[C@H](CCCNCc1ccccc1C#N)NC(=O)[C@@H]1CCCO1 ZINC001283125430 1145278177 /nfs/dbraw/zinc/27/81/77/1145278177.db2.gz WZSMYQINPIUIHO-PBHICJAKSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCCNC(=O)[C@H]1CCCCN1CC ZINC001283275970 1145343164 /nfs/dbraw/zinc/34/31/64/1145343164.db2.gz NXRFEKJQRFHCEI-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001283465635 1145450034 /nfs/dbraw/zinc/45/00/34/1145450034.db2.gz YSJIGIMMWGTUAW-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CCC(=O)N(C)[C@@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001283471302 1145452112 /nfs/dbraw/zinc/45/21/12/1145452112.db2.gz MACCRFQHQAQMKP-KRWDZBQOSA-N 0 3 302.393 2.414 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)cc(OC)c1C ZINC001283638806 1145557347 /nfs/dbraw/zinc/55/73/47/1145557347.db2.gz GGVRTPVPCKZKNE-AWEZNQCLSA-N 0 3 302.418 2.385 20 30 DEEDHN CC(F)(F)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001421720025 1171928966 /nfs/dbraw/zinc/92/89/66/1171928966.db2.gz UVBXLYCXPZFSKN-UHFFFAOYSA-N 0 3 313.373 2.403 20 30 DEEDHN CCc1ccsc1C(=O)N(C)C[C@@H](C)NCC#CCOC ZINC001283724450 1145618211 /nfs/dbraw/zinc/61/82/11/1145618211.db2.gz SYKHFJSHQDYOPJ-CYBMUJFWSA-N 0 3 308.447 2.010 20 30 DEEDHN C[C@@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CSCC#N ZINC001283848695 1145664375 /nfs/dbraw/zinc/66/43/75/1145664375.db2.gz WZQPNJWRFFEHQX-IUODEOHRSA-N 0 3 321.421 2.161 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCCOc2ccccc2C)C1 ZINC001284000834 1145744300 /nfs/dbraw/zinc/74/43/00/1145744300.db2.gz NYOZCTTUTDWSNC-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)COCC3CCCC3)CCC[C@H]12 ZINC001284057998 1145778750 /nfs/dbraw/zinc/77/87/50/1145778750.db2.gz ONMRCTUMXRJEFN-PKOBYXMFSA-N 0 3 318.461 2.330 20 30 DEEDHN CN(CCNC(=O)Nc1ccnc(C#N)c1)Cc1ccccc1 ZINC001365071920 1145792051 /nfs/dbraw/zinc/79/20/51/1145792051.db2.gz PZZNYOUWYSFQJY-UHFFFAOYSA-N 0 3 309.373 2.207 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001284298039 1145832286 /nfs/dbraw/zinc/83/22/86/1145832286.db2.gz WMYHLHOWGVNXJZ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@@H](C)Oc1ccccn1)C(C)C ZINC001284553427 1145870441 /nfs/dbraw/zinc/87/04/41/1145870441.db2.gz LGRHMGCPAQZNES-MRXNPFEDSA-N 0 3 317.433 2.041 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)COC2CCCC2)CC1 ZINC001284705737 1145893611 /nfs/dbraw/zinc/89/36/11/1145893611.db2.gz MDBFRXXUQMMVQO-HNNXBMFYSA-N 0 3 306.450 2.186 20 30 DEEDHN CCCCCC(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001284706355 1145893677 /nfs/dbraw/zinc/89/36/77/1145893677.db2.gz VZOJUFKNXFMLRC-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001365819460 1146019587 /nfs/dbraw/zinc/01/95/87/1146019587.db2.gz KAWPANGELHRKJF-BETUJISGSA-N 0 3 323.824 2.252 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001365840347 1146024928 /nfs/dbraw/zinc/02/49/28/1146024928.db2.gz CBGHDUUPJFBKSH-UONOGXRCSA-N 0 3 300.830 2.373 20 30 DEEDHN C=CC(C)(C)C(=O)NC1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001285244303 1146062952 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C=C(C)CCC(=O)N1CCCC[C@H]1CN[C@H](C)C(=O)NCCC ZINC001317186871 1147673265 /nfs/dbraw/zinc/67/32/65/1147673265.db2.gz USKMBTMJYSRVMR-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCC(=O)N(C)CC ZINC001317188485 1147673421 /nfs/dbraw/zinc/67/34/21/1147673421.db2.gz JYOGGVIPZXQXML-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc(OC)no2)CCCC1 ZINC001367318504 1147677823 /nfs/dbraw/zinc/67/78/23/1147677823.db2.gz MRFGHDBJAUAZTB-UHFFFAOYSA-N 0 3 313.785 2.068 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001317334256 1147692225 /nfs/dbraw/zinc/69/22/25/1147692225.db2.gz QNWILXLIRUWUSH-CVEARBPZSA-N 0 3 318.465 2.269 20 30 DEEDHN Cc1cc(CN[C@@H]2CCC[C@@H](NC(=O)C#CC(C)C)C2)on1 ZINC001317360528 1147696036 /nfs/dbraw/zinc/69/60/36/1147696036.db2.gz ZRFANIDEIVWQDA-HUUCEWRRSA-N 0 3 303.406 2.159 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cncc3[nH]ccc32)C1 ZINC001317374366 1147698394 /nfs/dbraw/zinc/69/83/94/1147698394.db2.gz 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CIXAMIZBACXUHR-UHFFFAOYSA-N 0 3 304.438 2.105 20 30 DEEDHN C/C=C(\C)C(=O)N(CCNCC#CCOC)Cc1ccccc1 ZINC001325689279 1147984145 /nfs/dbraw/zinc/98/41/45/1147984145.db2.gz ILJDHBUHXBSDAB-HAVNEIBRSA-N 0 3 314.429 2.221 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cnc(C2CC2)o1 ZINC001325694544 1147985340 /nfs/dbraw/zinc/98/53/40/1147985340.db2.gz WNPHGXZNKNBLAJ-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)CC1CCC(C)(C)CC1 ZINC001326159154 1148047484 /nfs/dbraw/zinc/04/74/84/1148047484.db2.gz OPIJZVRFEKEDRU-UHFFFAOYSA-N 0 3 308.466 2.027 20 30 DEEDHN Cc1nc(CNCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001326224564 1148060398 /nfs/dbraw/zinc/06/03/98/1148060398.db2.gz OCCSBYGDYNJONE-RISCZKNCSA-N 0 3 320.462 2.248 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC001326236594 1148061567 /nfs/dbraw/zinc/06/15/67/1148061567.db2.gz BGOBZLANXVIUEW-ZIAGYGMSSA-N 0 3 300.830 2.136 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(CC)n(C)n2)C1 ZINC001326446457 1148102496 /nfs/dbraw/zinc/10/24/96/1148102496.db2.gz NCIVNMPFXDUXSG-CYBMUJFWSA-N 0 3 324.856 2.177 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1 ZINC001326468723 1148107538 /nfs/dbraw/zinc/10/75/38/1148107538.db2.gz NYRRLYXOBBYUKN-CYBMUJFWSA-N 0 3 309.369 2.001 20 30 DEEDHN CC#CCNC1(CNC(=O)CO[C@@H]2CCCC[C@H]2C)CCC1 ZINC001326900810 1148285815 /nfs/dbraw/zinc/28/58/15/1148285815.db2.gz XIJKCOQKJFWKDZ-HZPDHXFCSA-N 0 3 306.450 2.234 20 30 DEEDHN Cn1ncc(C2CC2)c1CNCCC(=O)Nc1cccc(C#N)c1 ZINC001327015647 1148309692 /nfs/dbraw/zinc/30/96/92/1148309692.db2.gz BCKIVCWRCJGILM-UHFFFAOYSA-N 0 3 323.400 2.288 20 30 DEEDHN Cc1nsc(C)c1CNC1CC(CNC(=O)C#CC2CC2)C1 ZINC001100315050 1151831770 /nfs/dbraw/zinc/83/17/70/1151831770.db2.gz RAXZXYYZPSMTJA-UHFFFAOYSA-N 0 3 317.458 2.158 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)COc2cc(C)ccc2F)CC1 ZINC001327124402 1148330655 /nfs/dbraw/zinc/33/06/55/1148330655.db2.gz BAGBWYMJMXFUNA-OAHLLOKOSA-N 0 3 318.392 2.117 20 30 DEEDHN CC[C@H](F)CN1CCC[C@@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001368221506 1148339715 /nfs/dbraw/zinc/33/97/15/1148339715.db2.gz LEWLSVNMHPRXPH-YOEHRIQHSA-N 0 3 320.412 2.466 20 30 DEEDHN CN(C)CCOC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361839499 282106885 /nfs/dbraw/zinc/10/68/85/282106885.db2.gz ZJJGLHUPOAAOCP-UHFFFAOYSA-N 0 3 305.397 2.240 20 30 DEEDHN Cn1nccc1N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000278488955 214186704 /nfs/dbraw/zinc/18/67/04/214186704.db2.gz KZHWUCBFEASKCR-LBPRGKRZSA-N 0 3 301.419 2.112 20 30 DEEDHN C=CCc1cc(CN[C@H](COC)[C@H]2CCCO2)cc(OC)c1O ZINC000278576013 214249151 /nfs/dbraw/zinc/24/91/51/214249151.db2.gz FFPXCDUIZKAFPY-HZPDHXFCSA-N 0 3 321.417 2.413 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@@H](C)C1)C(C)C ZINC000079440184 185171670 /nfs/dbraw/zinc/17/16/70/185171670.db2.gz YKDMOPUSECRLHL-HOTGVXAUSA-N 0 3 309.454 2.115 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H](O)C(C)C ZINC000412717882 529535379 /nfs/dbraw/zinc/53/53/79/529535379.db2.gz LYZIFMFYWSXJOD-IKGGRYGDSA-N 0 3 313.401 2.152 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccc(C#N)cc1 ZINC000613390224 362098614 /nfs/dbraw/zinc/09/86/14/362098614.db2.gz ZTMJCNYYGWOVAT-KBXCAEBGSA-N 0 3 323.396 2.251 20 30 DEEDHN CCN1CCN(CCNc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411544 362103714 /nfs/dbraw/zinc/10/37/14/362103714.db2.gz GGXYTLGNPUNTSY-UHFFFAOYSA-N 0 3 315.465 2.300 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000275286061 212249890 /nfs/dbraw/zinc/24/98/90/212249890.db2.gz XATJXXWWFHQHMB-DAXOMENPSA-N 0 3 301.390 2.432 20 30 DEEDHN CNC(=O)C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000330881980 529841139 /nfs/dbraw/zinc/84/11/39/529841139.db2.gz IVFCISJLLXCGSB-UHFFFAOYSA-N 0 3 317.433 2.358 20 30 DEEDHN CC1(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000083416018 192369374 /nfs/dbraw/zinc/36/93/74/192369374.db2.gz AXYSQDOUDGNCGQ-CQSZACIVSA-N 0 3 306.431 2.125 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000615794513 362704471 /nfs/dbraw/zinc/70/44/71/362704471.db2.gz DUTDCDCBQQSONO-PMPSAXMXSA-N 0 3 319.449 2.076 20 30 DEEDHN C[C@@H]1OCC[C@]12CN(CCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000595466694 358456377 /nfs/dbraw/zinc/45/63/77/358456377.db2.gz KGMVMLROVPROLE-VKJFTORMSA-N 0 3 300.402 2.369 20 30 DEEDHN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(C3CC3)C2)on1 ZINC000329277875 539916780 /nfs/dbraw/zinc/91/67/80/539916780.db2.gz CQJPDVFWEXFMSV-OCCSQVGLSA-N 0 3 304.394 2.271 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)c2ccncc2)CC1 ZINC000173195522 198194718 /nfs/dbraw/zinc/19/47/18/198194718.db2.gz LUOINTLTTWWLQQ-INIZCTEOSA-N 0 3 302.422 2.482 20 30 DEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N[C@@H]1CCOc2ccccc21 ZINC000330175571 539935202 /nfs/dbraw/zinc/93/52/02/539935202.db2.gz JFCYWUQZTTZFAM-TZMCWYRMSA-N 0 3 312.373 2.225 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CNc1ccc(C#N)cc1 ZINC000064739572 354672977 /nfs/dbraw/zinc/67/29/77/354672977.db2.gz NUHMARXFXPYHOA-CABCVRRESA-N 0 3 314.433 2.207 20 30 DEEDHN CN(C)C1(CNS(=O)(=O)c2cccc(C#N)c2)CCCCC1 ZINC000067744388 354776078 /nfs/dbraw/zinc/77/60/78/354776078.db2.gz KTERTJCPXNHVDU-UHFFFAOYSA-N 0 3 321.446 2.101 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cccn2C)n1 ZINC000067896571 354784723 /nfs/dbraw/zinc/78/47/23/354784723.db2.gz STDVMRXWMPWUKH-VIFPVBQESA-N 0 3 303.343 2.148 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000069608077 354871061 /nfs/dbraw/zinc/87/10/61/354871061.db2.gz DDWZOGLLCTXGHY-QGZVFWFLSA-N 0 3 307.482 2.361 20 30 DEEDHN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000618178224 363404892 /nfs/dbraw/zinc/40/48/92/363404892.db2.gz NGXBOQKMFZTKKQ-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073996335 354997466 /nfs/dbraw/zinc/99/74/66/354997466.db2.gz OSAMJZBQVIAGPR-BMFZPTHFSA-N 0 3 313.401 2.021 20 30 DEEDHN N#Cc1ccc(N2CCN(CC[C@@H]3CCCCO3)CC2)nc1 ZINC000332545284 235078185 /nfs/dbraw/zinc/07/81/85/235078185.db2.gz MMBVDLGYKVTQCR-INIZCTEOSA-N 0 3 300.406 2.034 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1[C@H](C)O ZINC000077283373 355196230 /nfs/dbraw/zinc/19/62/30/355196230.db2.gz VNXJDCHDQCZHIY-DZGCQCFKSA-N 0 3 304.390 2.181 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000595597774 358496250 /nfs/dbraw/zinc/49/62/50/358496250.db2.gz VLJGHENNOPPYRX-QGZVFWFLSA-N 0 3 318.392 2.355 20 30 DEEDHN C[C@@H]1SCCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1C ZINC000118534414 355780570 /nfs/dbraw/zinc/78/05/70/355780570.db2.gz FJQAHQDXUNORGU-DZKIICNBSA-N 0 3 320.458 2.318 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000125935346 355814267 /nfs/dbraw/zinc/81/42/67/355814267.db2.gz MDLQOCDYGFBBCU-KRWDZBQOSA-N 0 3 312.417 2.184 20 30 DEEDHN C=CCNC(=O)NC(=O)CNC(C)(C)c1ccc(CC)cc1 ZINC000180101580 356041794 /nfs/dbraw/zinc/04/17/94/356041794.db2.gz FNKDYZULOREKBI-UHFFFAOYSA-N 0 3 303.406 2.086 20 30 DEEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(C)cs1 ZINC000180505327 356052269 /nfs/dbraw/zinc/05/22/69/356052269.db2.gz SUCMFQWOEFGVEZ-NSHDSACASA-N 0 3 315.354 2.484 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000182663919 356137292 /nfs/dbraw/zinc/13/72/92/356137292.db2.gz HHNSYNSWASCYIV-GOEBONIOSA-N 0 3 300.406 2.110 20 30 DEEDHN COc1ccc(COC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595608925 358500908 /nfs/dbraw/zinc/50/09/08/358500908.db2.gz CEUGZBXJENMIMR-RDJZCZTQSA-N 0 3 318.417 2.198 20 30 DEEDHN COc1ccccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000321471913 356449668 /nfs/dbraw/zinc/44/96/68/356449668.db2.gz AAHSXYGITHVYPD-MRXNPFEDSA-N 0 3 312.369 2.096 20 30 DEEDHN COC1(CO)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000618550803 363524699 /nfs/dbraw/zinc/52/46/99/363524699.db2.gz FNEVFDXYMOUDEI-UHFFFAOYSA-N 0 3 302.418 2.461 20 30 DEEDHN COC(=O)CCN(Cc1ccc(C#N)c(C)c1)C[C@H]1CCCO1 ZINC000618594396 363542624 /nfs/dbraw/zinc/54/26/24/363542624.db2.gz LQJWVXKXHPBGSD-QGZVFWFLSA-N 0 3 316.401 2.411 20 30 DEEDHN C=CCN(CCOc1ccc(C#N)cc1OC)[C@@H](C)COC ZINC000595647857 358511928 /nfs/dbraw/zinc/51/19/28/358511928.db2.gz QVROITHBILUTBH-AWEZNQCLSA-N 0 3 304.390 2.469 20 30 DEEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000578769879 356870836 /nfs/dbraw/zinc/87/08/36/356870836.db2.gz BXDQHSOTJWJNSC-CJNGLKHVSA-N 0 3 313.405 2.116 20 30 DEEDHN N#CCc1cccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)c1 ZINC000579252586 356948449 /nfs/dbraw/zinc/94/84/49/356948449.db2.gz VMYHKNDLTSEKSZ-FUHWJXTLSA-N 0 3 323.371 2.459 20 30 DEEDHN COC(=O)c1ccc(N[C@H]2CCN(C3CCCC3)C2)c(C#N)n1 ZINC000584790193 357311291 /nfs/dbraw/zinc/31/12/91/357311291.db2.gz JNCXDCAKHXDRED-LBPRGKRZSA-N 0 3 314.389 2.169 20 30 DEEDHN N#C[C@]1(F)CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000586770442 357367920 /nfs/dbraw/zinc/36/79/20/357367920.db2.gz MDFIYUNVPALWDZ-GOSISDBHSA-N 0 3 316.424 2.136 20 30 DEEDHN N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000586776429 357368180 /nfs/dbraw/zinc/36/81/80/357368180.db2.gz WXTOVHLKJVJFBB-ZDUSSCGKSA-N 0 3 303.793 2.426 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)C2)C1 ZINC000589926354 357505564 /nfs/dbraw/zinc/50/55/64/357505564.db2.gz UYSVSMRRVYXENE-PKOBYXMFSA-N 0 3 324.428 2.283 20 30 DEEDHN CC(C)[C@H](NCCOc1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000589162839 357449200 /nfs/dbraw/zinc/44/92/00/357449200.db2.gz VRHSHNUTOHBPAS-KBPBESRZSA-N 0 3 316.323 2.474 20 30 DEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3c1cnn3CCO)CC2 ZINC000589337919 357465564 /nfs/dbraw/zinc/46/55/64/357465564.db2.gz HKQIVXLRSXWYTJ-ROUUACIJSA-N 0 3 322.412 2.402 20 30 DEEDHN N#Cc1ccccc1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000590378655 357538925 /nfs/dbraw/zinc/53/89/25/357538925.db2.gz XZXIIPBNOAOFBV-QGZVFWFLSA-N 0 3 300.402 2.216 20 30 DEEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000590603029 357565014 /nfs/dbraw/zinc/56/50/14/357565014.db2.gz KUULNTHNKMCEIU-QRVBRYPASA-N 0 3 313.445 2.420 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2(C(F)(F)F)CC2)cc1 ZINC000590913013 357641509 /nfs/dbraw/zinc/64/15/09/357641509.db2.gz GXYRXCNWMZGDGI-GFCCVEGCSA-N 0 3 307.275 2.452 20 30 DEEDHN CC(C)(CC#N)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000590916053 357642356 /nfs/dbraw/zinc/64/23/56/357642356.db2.gz PMYZVSWGYKMNKD-MRXNPFEDSA-N 0 3 314.433 2.350 20 30 DEEDHN CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@](F)(C#N)C2)cc1 ZINC000591359314 357714291 /nfs/dbraw/zinc/71/42/91/357714291.db2.gz PMRYNRWGARECAO-WBVHZDCISA-N 0 3 318.396 2.457 20 30 DEEDHN C[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000591470889 357728385 /nfs/dbraw/zinc/72/83/85/357728385.db2.gz VKFRNBHNLIXFPB-CZUORRHYSA-N 0 3 300.406 2.355 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC2(CC1)OCc1ccccc12 ZINC000591621762 357744804 /nfs/dbraw/zinc/74/48/04/357744804.db2.gz PVMOVDPTVNRHCJ-MRXNPFEDSA-N 0 3 313.401 2.056 20 30 DEEDHN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@]3(C#N)CCNC3)C2)c1 ZINC000591640941 357747389 /nfs/dbraw/zinc/74/73/89/357747389.db2.gz UVDAYJXNCHEUDY-DLBZAZTESA-N 0 3 319.355 2.035 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000591799393 357762239 /nfs/dbraw/zinc/76/22/39/357762239.db2.gz BJTWTFKGNVKTHS-SJORKVTESA-N 0 3 323.400 2.214 20 30 DEEDHN CCN(CCSC)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000592198073 357850331 /nfs/dbraw/zinc/85/03/31/357850331.db2.gz IEHGHFRYBDCTHP-HNNXBMFYSA-N 0 3 308.447 2.177 20 30 DEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000592729367 357931949 /nfs/dbraw/zinc/93/19/49/357931949.db2.gz MVRNMSHMMJTNLT-WMLDXEAASA-N 0 3 323.396 2.411 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C2OCCO2)C1 ZINC000179658437 199071201 /nfs/dbraw/zinc/07/12/01/199071201.db2.gz SUMBHBXWOZYJID-HNNXBMFYSA-N 0 3 302.374 2.152 20 30 DEEDHN CC[C@@H](C#N)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000593515462 358094775 /nfs/dbraw/zinc/09/47/75/358094775.db2.gz FBVPGAGTXGDJCB-INIZCTEOSA-N 0 3 315.417 2.379 20 30 DEEDHN CCC(C#N)C(=O)N[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000593634942 358115454 /nfs/dbraw/zinc/11/54/54/358115454.db2.gz FYXSPMMRDTXJAZ-SJCJKPOMSA-N 0 3 318.373 2.139 20 30 DEEDHN CCC(C#N)C(=O)N[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000593634941 358115934 /nfs/dbraw/zinc/11/59/34/358115934.db2.gz FYXSPMMRDTXJAZ-PXAZEXFGSA-N 0 3 318.373 2.139 20 30 DEEDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000594020663 358190916 /nfs/dbraw/zinc/19/09/16/358190916.db2.gz KQORSJWHJPYZBT-MAUKXSAKSA-N 0 3 322.497 2.236 20 30 DEEDHN N#C[C@@]1(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCSC1 ZINC000594257276 358234700 /nfs/dbraw/zinc/23/47/00/358234700.db2.gz DGGMYQWOKUDTEX-WBVHZDCISA-N 0 3 315.442 2.024 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000594445799 358274434 /nfs/dbraw/zinc/27/44/34/358274434.db2.gz MGWTZBMASWMXEB-OLZOCXBDSA-N 0 3 307.781 2.301 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000595255536 358406993 /nfs/dbraw/zinc/40/69/93/358406993.db2.gz FDLSFRCGLAMLES-RYUDHWBXSA-N 0 3 321.343 2.014 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000595255530 358407025 /nfs/dbraw/zinc/40/70/25/358407025.db2.gz FDLSFRCGLAMLES-NEPJUHHUSA-N 0 3 321.343 2.014 20 30 DEEDHN CC(C)(C)n1nnc(CCNC2(c3cccc(C#N)c3)CC2)n1 ZINC000595418111 358443075 /nfs/dbraw/zinc/44/30/75/358443075.db2.gz PVXNSHLBGUJHGV-UHFFFAOYSA-N 0 3 310.405 2.121 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000595659151 358514213 /nfs/dbraw/zinc/51/42/13/358514213.db2.gz LGEVPFTUQWYSOG-HZPDHXFCSA-N 0 3 322.449 2.076 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595789311 358550261 /nfs/dbraw/zinc/55/02/61/358550261.db2.gz QQQPQWSWPPOTTM-PMPSAXMXSA-N 0 3 319.449 2.218 20 30 DEEDHN N#Cc1ccc(CN(CCN2CCOCC2)CC2CC2)cc1F ZINC000595807029 358552696 /nfs/dbraw/zinc/55/26/96/358552696.db2.gz HAKQAALOALAJJU-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C)[C@H]1CCO ZINC000595704771 358529143 /nfs/dbraw/zinc/52/91/43/358529143.db2.gz VJBQJMMHGKBZAR-GDBMZVCRSA-N 0 3 318.417 2.429 20 30 DEEDHN C[C@@H]1CN(c2cc(C#N)cnn2)[C@H](C)CN1Cc1ccccc1 ZINC000596176361 358631338 /nfs/dbraw/zinc/63/13/38/358631338.db2.gz DXDBQPUCXUUOLH-HUUCEWRRSA-N 0 3 307.401 2.447 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCc1cnccc1C(F)(F)F ZINC000595991814 358590473 /nfs/dbraw/zinc/59/04/73/358590473.db2.gz LJTTTYKWINLEOE-LBPRGKRZSA-N 0 3 314.311 2.128 20 30 DEEDHN N#Cc1csc(CN(CCN2CCOCC2)CC2CC2)c1 ZINC000597222452 358860251 /nfs/dbraw/zinc/86/02/51/358860251.db2.gz CRQBMYRFBLCYQZ-UHFFFAOYSA-N 0 3 305.447 2.164 20 30 DEEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1(CO)CC1 ZINC000597255476 358870297 /nfs/dbraw/zinc/87/02/97/358870297.db2.gz NTKHAVXGQZGXFW-UHFFFAOYSA-N 0 3 310.401 2.420 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597904987 359036358 /nfs/dbraw/zinc/03/63/58/359036358.db2.gz WAWHCILRKJPCFK-DLBZAZTESA-N 0 3 306.369 2.393 20 30 DEEDHN CC(C#N)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000597840819 359019632 /nfs/dbraw/zinc/01/96/32/359019632.db2.gz BBZMYBMYJMYBBN-TVQRCGJNSA-N 0 3 300.280 2.189 20 30 DEEDHN CC(C#N)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000597840820 359019879 /nfs/dbraw/zinc/01/98/79/359019879.db2.gz BBZMYBMYJMYBBN-ZANVPECISA-N 0 3 300.280 2.189 20 30 DEEDHN CC(C)OC(=O)C[C@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598604208 359258983 /nfs/dbraw/zinc/25/89/83/359258983.db2.gz KHBRIGWNAMKMKM-CABCVRRESA-N 0 3 310.438 2.341 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000598604364 359259291 /nfs/dbraw/zinc/25/92/91/359259291.db2.gz LTRWEURLBTZTDK-OCCSQVGLSA-N 0 3 322.371 2.312 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000598591805 359253328 /nfs/dbraw/zinc/25/33/28/359253328.db2.gz CBRILCYOEXTBNV-NVXWUHKLSA-N 0 3 324.465 2.337 20 30 DEEDHN CCOc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccc1OC ZINC000598718247 359304822 /nfs/dbraw/zinc/30/48/22/359304822.db2.gz CYTOEYHNWANRKD-AWEZNQCLSA-N 0 3 306.406 2.484 20 30 DEEDHN CC(C)OCCOC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598621921 359264172 /nfs/dbraw/zinc/26/41/72/359264172.db2.gz YUQXXYTZOVXBLL-OAHLLOKOSA-N 0 3 312.454 2.193 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599259628 359443028 /nfs/dbraw/zinc/44/30/28/359443028.db2.gz OWLUGYFGBOYEFR-SFHVURJKSA-N 0 3 321.380 2.302 20 30 DEEDHN N#CCc1cccc2c1CCN(C[C@@H]1CNc3ccnn3C1)C2 ZINC000600213513 359692350 /nfs/dbraw/zinc/69/23/50/359692350.db2.gz VNJZLWPCCMHHAQ-AWEZNQCLSA-N 0 3 307.401 2.049 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncnc3sccc32)CC1 ZINC000668369775 540655794 /nfs/dbraw/zinc/65/57/94/540655794.db2.gz DXSAKJOFOKTDAW-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668543515 540683471 /nfs/dbraw/zinc/68/34/71/540683471.db2.gz WGMXYPGJUUZQAM-GOEBONIOSA-N 0 3 300.402 2.352 20 30 DEEDHN CN(C)CCn1nnnc1SCc1ccc(C#N)cc1Cl ZINC000438890956 237882681 /nfs/dbraw/zinc/88/26/81/237882681.db2.gz RVNBHRYJUQHMGX-UHFFFAOYSA-N 0 3 322.825 2.052 20 30 DEEDHN CCCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CCCC#N ZINC000602548003 360427151 /nfs/dbraw/zinc/42/71/51/360427151.db2.gz VTPJQDSXEXOTRT-INIZCTEOSA-N 0 3 303.406 2.455 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)n1cccn1)C(C)C ZINC000668682730 540708971 /nfs/dbraw/zinc/70/89/71/540708971.db2.gz NIBCSEFLRZXBDJ-MRXNPFEDSA-N 0 3 318.465 2.433 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nccnc1C)C(C)C ZINC000668683370 540709374 /nfs/dbraw/zinc/70/93/74/540709374.db2.gz VUYLUFAMDIUOSU-HNNXBMFYSA-N 0 3 302.422 2.213 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ncc(Br)s1 ZINC000602603532 360453307 /nfs/dbraw/zinc/45/33/07/360453307.db2.gz BUYDGMWTWHKLCN-ZETCQYMHSA-N 0 3 317.212 2.255 20 30 DEEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000602728635 360521540 /nfs/dbraw/zinc/52/15/40/360521540.db2.gz CUMWYEFXYQEZOP-SJCJKPOMSA-N 0 3 302.374 2.198 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000668832006 540739357 /nfs/dbraw/zinc/73/93/57/540739357.db2.gz WCEMLEJYTLAXCT-KSSFIOAISA-N 0 3 302.418 2.265 20 30 DEEDHN CN(CC(C)(C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602830227 360577473 /nfs/dbraw/zinc/57/74/73/360577473.db2.gz AWMXPPPKGQSGOA-GOSISDBHSA-N 0 3 301.434 2.105 20 30 DEEDHN C[C@@H]1CN(C(=O)Nc2ccnc(C#N)c2)CCN(C2CCC2)C1 ZINC000603121997 360710403 /nfs/dbraw/zinc/71/04/03/360710403.db2.gz GSBIUVWGPOZHFP-ZDUSSCGKSA-N 0 3 313.405 2.291 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604011252 360879704 /nfs/dbraw/zinc/87/97/04/360879704.db2.gz XNPDPGRSRXSFRI-QGZVFWFLSA-N 0 3 302.418 2.360 20 30 DEEDHN C=CCOCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000669555290 540862317 /nfs/dbraw/zinc/86/23/17/540862317.db2.gz NZCWLWOEQUSZHL-QGZVFWFLSA-N 0 3 313.401 2.341 20 30 DEEDHN N#CCn1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc2ccccc21 ZINC000609383584 361308231 /nfs/dbraw/zinc/30/82/31/361308231.db2.gz VSOCYZDWIMHTIN-MRXNPFEDSA-N 0 3 322.412 2.379 20 30 DEEDHN CC(C#N)C(=O)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000609919794 361349177 /nfs/dbraw/zinc/34/91/77/361349177.db2.gz OTWLQNJAPNBDHS-CQSZACIVSA-N 0 3 321.380 2.284 20 30 DEEDHN N#CCN1CCC(NCc2cnc3ccc(Cl)cn23)CC1 ZINC000610008555 361352321 /nfs/dbraw/zinc/35/23/21/361352321.db2.gz XSCAQGZAHVYTEG-UHFFFAOYSA-N 0 3 303.797 2.065 20 30 DEEDHN C[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)N(C)C1CC1 ZINC000610404815 361395257 /nfs/dbraw/zinc/39/52/57/361395257.db2.gz PGTOYJFUQLPCHK-OLZOCXBDSA-N 0 3 300.406 2.401 20 30 DEEDHN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(C#N)ccc1C ZINC000610577028 361424870 /nfs/dbraw/zinc/42/48/70/361424870.db2.gz WVVUCBGGDSSYLP-OAHLLOKOSA-N 0 3 321.446 2.019 20 30 DEEDHN CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)cc1C ZINC000610576913 361424954 /nfs/dbraw/zinc/42/49/54/361424954.db2.gz FAZYXJSGXXYVDT-OAHLLOKOSA-N 0 3 321.446 2.019 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000610933420 361494810 /nfs/dbraw/zinc/49/48/10/361494810.db2.gz JYUUXEAQHGBQMU-CZUORRHYSA-N 0 3 309.413 2.331 20 30 DEEDHN N#Cc1csc(CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000611254100 361563816 /nfs/dbraw/zinc/56/38/16/361563816.db2.gz UQRFUYKCGCKEFO-HNNXBMFYSA-N 0 3 305.447 2.306 20 30 DEEDHN C[C@H](NC[C@H](O)COCc1ccco1)c1cccc(C#N)c1 ZINC000611387782 361589177 /nfs/dbraw/zinc/58/91/77/361589177.db2.gz GPQIRYJVCUXWFW-BBRMVZONSA-N 0 3 300.358 2.380 20 30 DEEDHN C[C@@H](NC[C@@H](O)COCc1ccco1)c1cccc(C#N)c1 ZINC000611387789 361589190 /nfs/dbraw/zinc/58/91/90/361589190.db2.gz GPQIRYJVCUXWFW-CZUORRHYSA-N 0 3 300.358 2.380 20 30 DEEDHN COc1cc(CNCCC(=O)N2CCCCCC2)ccc1C#N ZINC000281558643 216384205 /nfs/dbraw/zinc/38/42/05/216384205.db2.gz BSLVAPSPTDCDOT-UHFFFAOYSA-N 0 3 315.417 2.449 20 30 DEEDHN CN(C)CC1(NC(=O)c2cc3ccccc3n2CC#N)CCC1 ZINC000619608605 363839045 /nfs/dbraw/zinc/83/90/45/363839045.db2.gz BYSARUXMASGXIW-UHFFFAOYSA-N 0 3 310.401 2.379 20 30 DEEDHN CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H](C)C(C)C ZINC000091542825 193070599 /nfs/dbraw/zinc/07/05/99/193070599.db2.gz XPKOAJWLPLEBPH-DLBZAZTESA-N 0 3 322.497 2.045 20 30 DEEDHN C=CCCOCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000676677407 541481324 /nfs/dbraw/zinc/48/13/24/541481324.db2.gz INWFAADQAHMOAW-OAHLLOKOSA-N 0 3 317.433 2.316 20 30 DEEDHN CC(C)(CO)N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000676701687 541484793 /nfs/dbraw/zinc/48/47/93/541484793.db2.gz IHYCAANDEDGYHL-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000677478678 541594926 /nfs/dbraw/zinc/59/49/26/541594926.db2.gz CJIPPECGSYRYBW-MRXNPFEDSA-N 0 3 303.406 2.210 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000275209947 212197422 /nfs/dbraw/zinc/19/74/22/212197422.db2.gz JOMYLUXMTLOLBB-APHBMKBZSA-N 0 3 301.390 2.432 20 30 DEEDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000451499267 243034794 /nfs/dbraw/zinc/03/47/94/243034794.db2.gz XDHUJQYWFGFCPU-PBHICJAKSA-N 0 3 301.390 2.290 20 30 DEEDHN CO[C@]1(C)C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451501128 243036336 /nfs/dbraw/zinc/03/63/36/243036336.db2.gz YZVWFNCMYODCGD-RHSMWYFYSA-N 0 3 321.465 2.464 20 30 DEEDHN N#Cc1csc(CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000093018117 193195038 /nfs/dbraw/zinc/19/50/38/193195038.db2.gz VCOGSKQBWZMSHU-CQSZACIVSA-N 0 3 305.447 2.164 20 30 DEEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)NC)C2)cc1OC ZINC000093360937 193238898 /nfs/dbraw/zinc/23/88/98/193238898.db2.gz ATPROUYFYUHDMK-HNNXBMFYSA-N 0 3 318.417 2.218 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264595946 204016723 /nfs/dbraw/zinc/01/67/23/204016723.db2.gz MOLLLSFPBHYEJL-QGZVFWFLSA-N 0 3 312.417 2.328 20 30 DEEDHN C#CCCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000265033128 204357035 /nfs/dbraw/zinc/35/70/35/204357035.db2.gz GQWROHDRLZVGDO-UHFFFAOYSA-N 0 3 313.445 2.360 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(CCOc1ccccc1C#N)CC2 ZINC000265077468 204380864 /nfs/dbraw/zinc/38/08/64/204380864.db2.gz QMVXYXALNRXSMM-OAHLLOKOSA-N 0 3 314.385 2.212 20 30 DEEDHN CC[C@@H]1CN(c2ccc(Cl)cc2C#N)CCN1C[C@@H](C)O ZINC000266411050 205327919 /nfs/dbraw/zinc/32/79/19/205327919.db2.gz QPOWSMKHTKYSNN-IUODEOHRSA-N 0 3 307.825 2.493 20 30 DEEDHN C[C@@H](Cc1cnn(C)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456439668 247192496 /nfs/dbraw/zinc/19/24/96/247192496.db2.gz QIRMGTGEWVDAFT-WMLDXEAASA-N 0 3 310.401 2.240 20 30 DEEDHN CC(C)O[C@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000457879970 248056269 /nfs/dbraw/zinc/05/62/69/248056269.db2.gz YZYDRHNBGDQGMV-ZACQAIPSSA-N 0 3 311.385 2.313 20 30 DEEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)CCCC#N ZINC000492191355 249014052 /nfs/dbraw/zinc/01/40/52/249014052.db2.gz AKYSHYMCLLRVLF-UHFFFAOYSA-N 0 3 315.483 2.206 20 30 DEEDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000494251839 249484704 /nfs/dbraw/zinc/48/47/04/249484704.db2.gz TWPRYYIAVMUFGN-MEBBXXQBSA-N 0 3 307.781 2.307 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](CO)[C@@H]1C)C(C)C ZINC000494671478 249541088 /nfs/dbraw/zinc/54/10/88/249541088.db2.gz DANJUSPYFDEBEV-YESZJQIVSA-N 0 3 323.481 2.097 20 30 DEEDHN CCOC(=O)[C@](C)(O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000274157068 211385892 /nfs/dbraw/zinc/38/58/92/211385892.db2.gz DPWGRYYCCHOKMY-CXAGYDPISA-N 0 3 304.390 2.255 20 30 DEEDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCOC1 ZINC000274007839 211266274 /nfs/dbraw/zinc/26/62/74/211266274.db2.gz 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/nfs/dbraw/zinc/06/39/89/184063989.db2.gz PNBAJOMLXFBXNI-OAHLLOKOSA-N 0 3 318.417 2.408 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)c2cccnc2)C1 ZINC001086011822 784318147 /nfs/dbraw/zinc/31/81/47/784318147.db2.gz SKEPFDHNERDQTH-BJHJDKERSA-N 0 3 324.222 2.088 20 30 DEEDHN CN(CCCNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000555553128 291798981 /nfs/dbraw/zinc/79/89/81/291798981.db2.gz BLSWFHQVIYTQSP-UHFFFAOYSA-N 0 3 320.400 2.217 20 30 DEEDHN COC(=O)[C@@H]1CN(C(=O)C(C)C#N)C[C@H]1c1ccc(Cl)cc1 ZINC000346598935 532980884 /nfs/dbraw/zinc/98/08/84/532980884.db2.gz BYYDLEDWEBQVMB-DDTOSNHZSA-N 0 3 320.776 2.215 20 30 DEEDHN CN1CCC(Oc2ccc(CNc3nccnc3C#N)cc2)CC1 ZINC000286484518 219014533 /nfs/dbraw/zinc/01/45/33/219014533.db2.gz PGMZPNCRLJQEHO-UHFFFAOYSA-N 0 3 323.400 2.433 20 30 DEEDHN CS[C@H]1CN(c2snc(C)c2C#N)C[C@H]1N1CCCC1 ZINC000286502403 219023324 /nfs/dbraw/zinc/02/33/24/219023324.db2.gz AUJLDULMJDAIKZ-OLZOCXBDSA-N 0 3 308.476 2.339 20 30 DEEDHN COCC1(C#N)CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000341992837 533111192 /nfs/dbraw/zinc/11/11/92/533111192.db2.gz QCAZQKRYJQCFEQ-UHFFFAOYSA-N 0 3 301.390 2.267 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000157778175 197215035 /nfs/dbraw/zinc/21/50/35/197215035.db2.gz OXESKLVKDAUONA-GUYCJALGSA-N 0 3 308.385 2.137 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCC1(F)F ZINC000289684479 221152890 /nfs/dbraw/zinc/15/28/90/221152890.db2.gz GOXLZUHUWQIIIP-OCCSQVGLSA-N 0 3 310.344 2.275 20 30 DEEDHN C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000289997252 221368874 /nfs/dbraw/zinc/36/88/74/221368874.db2.gz RLFRRXUSSJWXNA-VNHYZAJKSA-N 0 3 321.446 2.141 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CNC1(c2ccccc2)CCC1 ZINC000104665243 224562671 /nfs/dbraw/zinc/56/26/71/224562671.db2.gz VDKZCGNWELNPLK-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000544415128 285348585 /nfs/dbraw/zinc/34/85/85/285348585.db2.gz JCQGGDBCTDYJMV-AWEZNQCLSA-N 0 3 309.797 2.411 20 30 DEEDHN CCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)cn1 ZINC000561778502 291967031 /nfs/dbraw/zinc/96/70/31/291967031.db2.gz MSETUJSJIFQQQE-UHFFFAOYSA-N 0 3 300.406 2.291 20 30 DEEDHN CO[C@]1(C)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000330996712 533369632 /nfs/dbraw/zinc/36/96/32/533369632.db2.gz OWXDQFLBSVVYCF-OAHLLOKOSA-N 0 3 307.419 2.449 20 30 DEEDHN COc1cccc(C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)c1 ZINC000424115171 533440641 /nfs/dbraw/zinc/44/06/41/533440641.db2.gz UKJBDAGLKRZRRP-KRWDZBQOSA-N 0 3 315.417 2.422 20 30 DEEDHN COc1ccc(CNC[C@H](O)C2CC2)cc1OCCCC#N ZINC000265116812 533669998 /nfs/dbraw/zinc/66/99/98/533669998.db2.gz ZHDBFKZEBVMABF-HNNXBMFYSA-N 0 3 304.390 2.238 20 30 DEEDHN COc1ccc(C#N)cc1CN(CCO)[C@@H]1CCCSC1 ZINC000340210526 131189350 /nfs/dbraw/zinc/18/93/50/131189350.db2.gz SNDRFSKHLHVQBL-OAHLLOKOSA-N 0 3 306.431 2.257 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)c2ccc(C#N)s2)ccn1 ZINC000345283832 132708856 /nfs/dbraw/zinc/70/88/56/132708856.db2.gz JWNTXUSLRXQLOQ-UHFFFAOYSA-N 0 3 316.386 2.207 20 30 DEEDHN Cn1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)cc1C#N ZINC000359732452 133141657 /nfs/dbraw/zinc/14/16/57/133141657.db2.gz QOLNTKSSYQJRSF-HOTGVXAUSA-N 0 3 319.355 2.224 20 30 DEEDHN C[C@H]1CN(C(=O)Nc2cccc(C#N)n2)CCN(C2CCC2)C1 ZINC000563099358 292031507 /nfs/dbraw/zinc/03/15/07/292031507.db2.gz FBWPSHRWCRVTQJ-CYBMUJFWSA-N 0 3 313.405 2.291 20 30 DEEDHN CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000329880751 404481495 /nfs/dbraw/zinc/48/14/95/404481495.db2.gz ABNHTMSEJCJAFB-ZFWWWQNUSA-N 0 3 307.438 2.218 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000248397736 145153634 /nfs/dbraw/zinc/15/36/34/145153634.db2.gz SFKTVQBSBMMSDW-SUMWQHHRSA-N 0 3 308.385 2.137 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000249368430 145182659 /nfs/dbraw/zinc/18/26/59/145182659.db2.gz VRKZVHFAGNBVLQ-ZWKOTPCHSA-N 0 3 308.381 2.153 20 30 DEEDHN Cc1cc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)ccc1C#N ZINC000550503139 285872316 /nfs/dbraw/zinc/87/23/16/285872316.db2.gz XTBPXQYNHOSYRO-QZTJIDSGSA-N 0 3 300.402 2.276 20 30 DEEDHN N#Cc1cc(Br)cnc1N[C@@H]1CCN(C2CC2)C1 ZINC000336791240 145397872 /nfs/dbraw/zinc/39/78/72/145397872.db2.gz MXATXLYTBWDUPR-LLVKDONJSA-N 0 3 307.195 2.364 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)C1 ZINC000346301725 146057155 /nfs/dbraw/zinc/05/71/55/146057155.db2.gz VSIKDSMCCAZSAR-SFHVURJKSA-N 0 3 309.413 2.144 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](c3nc[nH]n3)C2)c(OC(F)F)c1 ZINC000566064660 292201330 /nfs/dbraw/zinc/20/13/30/292201330.db2.gz VBFGHQIWUYXECS-LBPRGKRZSA-N 0 3 319.315 2.267 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000074132476 401731291 /nfs/dbraw/zinc/73/12/91/401731291.db2.gz RRWIYYLSNWWDPZ-QAPCUYQASA-N 0 3 323.481 2.482 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(n2ccnc2)CC1 ZINC000111243243 401703047 /nfs/dbraw/zinc/70/30/47/401703047.db2.gz BOOFITCKMGBLGA-OAHLLOKOSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000076512962 401798130 /nfs/dbraw/zinc/79/81/30/401798130.db2.gz XTTAQMWELNPGCB-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN N#CC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCC1 ZINC000129423510 401804131 /nfs/dbraw/zinc/80/41/31/401804131.db2.gz NUYONFMJLZQJDD-UHFFFAOYSA-N 0 3 307.463 2.158 20 30 DEEDHN COc1ccccc1CN(CCC(=O)N(C)CCC#N)C1CC1 ZINC000131192784 401846007 /nfs/dbraw/zinc/84/60/07/401846007.db2.gz JQIPWTNDEJRFBE-UHFFFAOYSA-N 0 3 315.417 2.422 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)CC1 ZINC000080079533 401888137 /nfs/dbraw/zinc/88/81/37/401888137.db2.gz FSJILFJDACVESR-SFHVURJKSA-N 0 3 314.429 2.374 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ncc(CC)s2)CC1 ZINC000083231825 401900734 /nfs/dbraw/zinc/90/07/34/401900734.db2.gz NVXBXJBGXHKRIZ-UHFFFAOYSA-N 0 3 322.478 2.497 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000119489875 401953835 /nfs/dbraw/zinc/95/38/35/401953835.db2.gz UFHTWSFVORRQQX-KRWDZBQOSA-N 0 3 312.413 2.399 20 30 DEEDHN N#Cc1cccc(OCCN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000135566361 401945521 /nfs/dbraw/zinc/94/55/21/401945521.db2.gz XUDPXCRVGCWGCC-JKSUJKDBSA-N 0 3 304.415 2.143 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064521518 402120880 /nfs/dbraw/zinc/12/08/80/402120880.db2.gz MYZYBCQOTXDNKN-CYBMUJFWSA-N 0 3 323.487 2.333 20 30 DEEDHN N#CC(C(=O)NCc1ccco1)c1nccn1Cc1ccccc1 ZINC000122095834 402061330 /nfs/dbraw/zinc/06/13/30/402061330.db2.gz OVJXFKKIISZISU-INIZCTEOSA-N 0 3 320.352 2.448 20 30 DEEDHN CCN1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000054423454 402067946 /nfs/dbraw/zinc/06/79/46/402067946.db2.gz MXVYYWHAAVWNET-UHFFFAOYSA-N 0 3 320.824 2.178 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(-c3cccs3)[nH]n2)CC1 ZINC000066921802 402146134 /nfs/dbraw/zinc/14/61/34/402146134.db2.gz WMZMFHDEQMLENS-UHFFFAOYSA-N 0 3 314.414 2.422 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@H]2CCCO2)CC1 ZINC000124649955 402190775 /nfs/dbraw/zinc/19/07/75/402190775.db2.gz MZJFZOWNAIIOOU-JKSUJKDBSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(C)on1)C(C)C ZINC000067608842 402165005 /nfs/dbraw/zinc/16/50/05/402165005.db2.gz ZFRCZWYNUUQEOV-INIZCTEOSA-N 0 3 320.437 2.481 20 30 DEEDHN C[C@@H](CNC(=O)CSc1ccc(C#N)cc1)N(C)C1CC1 ZINC000103085365 402178329 /nfs/dbraw/zinc/17/83/29/402178329.db2.gz USVIMTKPMAAGNC-LBPRGKRZSA-N 0 3 303.431 2.249 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1OC ZINC000108345678 402250663 /nfs/dbraw/zinc/25/06/63/402250663.db2.gz KBZCYVIEWBIMIF-CQSZACIVSA-N 0 3 318.417 2.332 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104705637 402204776 /nfs/dbraw/zinc/20/47/76/402204776.db2.gz JZXXECMWBJQWOX-INIZCTEOSA-N 0 3 319.380 2.268 20 30 DEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C#N)cn1 ZINC000154356226 402207959 /nfs/dbraw/zinc/20/79/59/402207959.db2.gz PTLWRQSHLBKOJM-HNNXBMFYSA-N 0 3 300.406 2.194 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCCOCC(C)C)CC1 ZINC000106257735 402212603 /nfs/dbraw/zinc/21/26/03/402212603.db2.gz FCUDHUWCQWUTOQ-UHFFFAOYSA-N 0 3 311.470 2.389 20 30 DEEDHN C=C(C)[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000184846006 402304210 /nfs/dbraw/zinc/30/42/10/402304210.db2.gz VWIACMHWEUWOGJ-RNCFNFMXSA-N 0 3 317.357 2.131 20 30 DEEDHN CN(C)CCN(C(=O)CNc1cccc(C#N)c1)C1CCCC1 ZINC000160458260 402346255 /nfs/dbraw/zinc/34/62/55/402346255.db2.gz YFOWWFWYYWCZOQ-UHFFFAOYSA-N 0 3 314.433 2.303 20 30 DEEDHN COCCN1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000160815631 402361316 /nfs/dbraw/zinc/36/13/16/402361316.db2.gz VRICAHOQGDDERT-UHFFFAOYSA-N 0 3 314.433 2.355 20 30 DEEDHN Cn1cnc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cnc21 ZINC000185726292 402372186 /nfs/dbraw/zinc/37/21/86/402372186.db2.gz DATMFDWGOOZESO-LLVKDONJSA-N 0 3 316.324 2.335 20 30 DEEDHN N#C[C@H]1CCC[C@H](NCc2cccnc2N2CCOCC2)C1 ZINC000185774411 402375757 /nfs/dbraw/zinc/37/57/57/402375757.db2.gz AXPFLKWMHYMXKZ-HOCLYGCPSA-N 0 3 300.406 2.090 20 30 DEEDHN C=CCc1cc(C(=O)N(C)CCN(C)C)cc(OC)c1OC ZINC000176808175 402339449 /nfs/dbraw/zinc/33/94/49/402339449.db2.gz JELATODOTIOLAC-UHFFFAOYSA-N 0 3 306.406 2.066 20 30 DEEDHN CN(CCC#N)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1 ZINC000237199716 402399460 /nfs/dbraw/zinc/39/94/60/402399460.db2.gz VZCUISFFHLNKHY-UHFFFAOYSA-N 0 3 322.412 2.425 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccco3)C2)CC1 ZINC000177785139 402436030 /nfs/dbraw/zinc/43/60/30/402436030.db2.gz CIGMGEXEUGMMBQ-MRXNPFEDSA-N 0 3 319.405 2.013 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cncc(OC(C)C)c2)CC1 ZINC000178114665 402462218 /nfs/dbraw/zinc/46/22/18/402462218.db2.gz DALPANMLGVWRRT-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN CC[C@@H](C#N)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171005062 402549355 /nfs/dbraw/zinc/54/93/55/402549355.db2.gz BKVUZQPSPQWIOV-INIZCTEOSA-N 0 3 314.433 2.249 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CC(=O)N(Cc3ccccc3)C2)o1 ZINC000179057181 402568563 /nfs/dbraw/zinc/56/85/63/402568563.db2.gz ARKGQIQQAXPTKL-HNNXBMFYSA-N 0 3 309.369 2.290 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)cc1F ZINC000246349991 402526647 /nfs/dbraw/zinc/52/66/47/402526647.db2.gz PCKWNCDWZFSXPY-MLGOLLRUSA-N 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YYDLYYKKJHYTRK-HNNXBMFYSA-N 0 3 307.438 2.030 20 30 DEEDHN CC1([C@@H]2CCCN(CCOc3ccccc3C#N)C2)OCCO1 ZINC000183912020 402804485 /nfs/dbraw/zinc/80/44/85/402804485.db2.gz MFCDXAVFMJIZDV-MRXNPFEDSA-N 0 3 316.401 2.412 20 30 DEEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 ZINC000184069589 402815566 /nfs/dbraw/zinc/81/55/66/402815566.db2.gz YLVHBWFRYLNDBF-XYPHTWIQSA-N 0 3 313.401 2.211 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000278509713 402867592 /nfs/dbraw/zinc/86/75/92/402867592.db2.gz BHBOIUOEHUYCGN-NEPJUHHUSA-N 0 3 321.402 2.246 20 30 DEEDHN CN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278709262 402869898 /nfs/dbraw/zinc/86/98/98/402869898.db2.gz UFFIWXZFKYLDQP-IEBWSBKVSA-N 0 3 312.461 2.433 20 30 DEEDHN Cc1cc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)o1 ZINC000278835214 402876795 /nfs/dbraw/zinc/87/67/95/402876795.db2.gz UMMQGGDSUYHCQD-YOJQOHNYSA-N 0 3 303.362 2.073 20 30 DEEDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000278839510 402877128 /nfs/dbraw/zinc/87/71/28/402877128.db2.gz QULOJGMOGVZRGL-ZDUSSCGKSA-N 0 3 309.797 2.147 20 30 DEEDHN CC[C@H](C)[C@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272108914 402898183 /nfs/dbraw/zinc/89/81/83/402898183.db2.gz IQILTBHAEJWWIE-SUMWQHHRSA-N 0 3 312.417 2.455 20 30 DEEDHN CN(C[C@@H]1CCCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279406546 402939585 /nfs/dbraw/zinc/93/95/85/402939585.db2.gz BQTWEKNJVBGWLM-SJORKVTESA-N 0 3 311.385 2.268 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CCOC)c2ccco2)CC1 ZINC000272548797 402951603 /nfs/dbraw/zinc/95/16/03/402951603.db2.gz LXQIJTZRJAIAMT-HNNXBMFYSA-N 0 3 321.421 2.307 20 30 DEEDHN Cc1ncc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1 ZINC000279597750 402959949 /nfs/dbraw/zinc/95/99/49/402959949.db2.gz RXHUHIXOHLLDSO-AWEZNQCLSA-N 0 3 310.382 2.322 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000265899368 402960104 /nfs/dbraw/zinc/96/01/04/402960104.db2.gz BPOWJKJWJABMAL-OAHLLOKOSA-N 0 3 316.445 2.183 20 30 DEEDHN COCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280008675 402966196 /nfs/dbraw/zinc/96/61/96/402966196.db2.gz JRLWLSVKAODJNY-MRXNPFEDSA-N 0 3 311.385 2.173 20 30 DEEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CO[C@@H](C)COC ZINC000279196590 402915108 /nfs/dbraw/zinc/91/51/08/402915108.db2.gz AGKLJJBNCRJPLK-WMZOPIPTSA-N 0 3 307.434 2.477 20 30 DEEDHN C[C@H](N[C@H]1CCC[C@H]1CCO)C(=O)Nc1ccccc1C#N ZINC000279247222 402921715 /nfs/dbraw/zinc/92/17/15/402921715.db2.gz KVAPBSDXSMWKNF-YDHLFZDLSA-N 0 3 301.390 2.026 20 30 DEEDHN C=CCN(CCCN1C(=O)NC(C)(C)C1=O)CCc1ccco1 ZINC000272333709 402925127 /nfs/dbraw/zinc/92/51/27/402925127.db2.gz WZUDNTSVZDVYKI-UHFFFAOYSA-N 0 3 319.405 2.031 20 30 DEEDHN C=CCCS(=O)(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272400648 402932491 /nfs/dbraw/zinc/93/24/91/402932491.db2.gz KELCDYKEWXTLKF-DOTOQJQBSA-N 0 3 322.474 2.393 20 30 DEEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cnn(C)c1 ZINC000273359689 402997857 /nfs/dbraw/zinc/99/78/57/402997857.db2.gz JKFNDPYFEKJYHN-GFCCVEGCSA-N 0 3 300.362 2.030 20 30 DEEDHN C=CCNC(=O)c1ccc(NCCN2CCC[C@H](C)C2)nc1 ZINC000267258204 403030134 /nfs/dbraw/zinc/03/01/34/403030134.db2.gz VZXLPAOKMDHJSN-AWEZNQCLSA-N 0 3 302.422 2.141 20 30 DEEDHN C#CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000274193252 403034259 /nfs/dbraw/zinc/03/42/59/403034259.db2.gz QMCKHTGQMOIGAT-UHFFFAOYSA-N 0 3 301.346 2.329 20 30 DEEDHN C#C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)C(C)C ZINC000281011829 403056614 /nfs/dbraw/zinc/05/66/14/403056614.db2.gz FJPMKDMYGHBCPC-KRWDZBQOSA-N 0 3 314.433 2.255 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000268187476 403059461 /nfs/dbraw/zinc/05/94/61/403059461.db2.gz HEIFNILDMYPWSB-BLLLJJGKSA-N 0 3 315.442 2.249 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@@H](COc3ccccc3)C2)C1=O ZINC000281514107 403070368 /nfs/dbraw/zinc/07/03/68/403070368.db2.gz YXNAPYAZAWOCDK-WBVHZDCISA-N 0 3 300.402 2.174 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C2(C)OCCO2)CC1 ZINC000268432966 403082895 /nfs/dbraw/zinc/08/28/95/403082895.db2.gz DNGVUNZYBMLPBK-HNNXBMFYSA-N 0 3 322.449 2.051 20 30 DEEDHN CC(C)[C@H](C(=O)NCCSCc1ccccc1C#N)N(C)C ZINC000268456593 403084523 /nfs/dbraw/zinc/08/45/23/403084523.db2.gz SABLXKXLQBSGQC-MRXNPFEDSA-N 0 3 319.474 2.494 20 30 DEEDHN C=CCNC(=O)CN[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000274864799 403095730 /nfs/dbraw/zinc/09/57/30/403095730.db2.gz TVYRABFMPMSXTM-QGZVFWFLSA-N 0 3 303.450 2.035 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCc2ccc(OC)cc2)C1=O ZINC000282011734 403113375 /nfs/dbraw/zinc/11/33/75/403113375.db2.gz OOLFMABRJOVQNH-QGZVFWFLSA-N 0 3 302.418 2.347 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000275758399 403121270 /nfs/dbraw/zinc/12/12/70/403121270.db2.gz PENOTBSTEKKMLM-CQSZACIVSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000269731987 403161969 /nfs/dbraw/zinc/16/19/69/403161969.db2.gz VFBHUUCVNULJSJ-BBRMVZONSA-N 0 3 324.428 2.472 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCc1ccncn1)C(C)C ZINC000277299758 403202734 /nfs/dbraw/zinc/20/27/34/403202734.db2.gz MXGADAQVQLOTKK-KRWDZBQOSA-N 0 3 316.449 2.224 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000276499067 403181391 /nfs/dbraw/zinc/18/13/91/403181391.db2.gz BWBTYIGQVCVMAS-NVXWUHKLSA-N 0 3 322.474 2.393 20 30 DEEDHN C=CCC[C@@H](NCCN1CCN(C(C)=O)CC1)c1ccco1 ZINC000276511689 403182418 /nfs/dbraw/zinc/18/24/18/403182418.db2.gz ZMRAIJIOGLFQGX-MRXNPFEDSA-N 0 3 305.422 2.041 20 30 DEEDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271082845 403262456 /nfs/dbraw/zinc/26/24/56/403262456.db2.gz JJJOTSXTBVELFH-HNNXBMFYSA-N 0 3 301.390 2.031 20 30 DEEDHN CCC[C@@]1(NCC(=O)Nc2oc(C)c(C)c2C#N)CCOC1 ZINC000285392739 403286800 /nfs/dbraw/zinc/28/68/00/403286800.db2.gz CBFJTQDLEYSZCO-MRXNPFEDSA-N 0 3 305.378 2.255 20 30 DEEDHN Cc1nc(NCc2ccnc(OCCN(C)C)c2)ccc1C#N ZINC000292086858 403287403 /nfs/dbraw/zinc/28/74/03/403287403.db2.gz YJFFMMHEWBPJJT-UHFFFAOYSA-N 0 3 311.389 2.209 20 30 DEEDHN C[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292295657 403347964 /nfs/dbraw/zinc/34/79/64/403347964.db2.gz NKDOOTSJBQJYIO-GFCCVEGCSA-N 0 3 315.377 2.172 20 30 DEEDHN Cc1ccc([C@@H](O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292140821 403303542 /nfs/dbraw/zinc/30/35/42/403303542.db2.gz JKZURKYDLRQWMC-MSOLQXFVSA-N 0 3 323.396 2.448 20 30 DEEDHN C=CCC[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccco1 ZINC000285492444 403310114 /nfs/dbraw/zinc/31/01/14/403310114.db2.gz AJSRLJJOXUUHTB-UONOGXRCSA-N 0 3 312.435 2.158 20 30 DEEDHN Cc1cc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc(C#N)n1 ZINC000342726024 403324329 /nfs/dbraw/zinc/32/43/29/403324329.db2.gz LZAPJUKSXOCYJK-OALUTQOASA-N 0 3 322.412 2.309 20 30 DEEDHN N#Cc1ccc(OC2CCN(CCn3cccn3)CC2)c(F)c1 ZINC000285606968 403337776 /nfs/dbraw/zinc/33/77/76/403337776.db2.gz XBMRLNXYQDXWSQ-UHFFFAOYSA-N 0 3 314.364 2.437 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@](CO)(C(C)C)C1 ZINC000293022434 403386301 /nfs/dbraw/zinc/38/63/01/403386301.db2.gz KOSPVCBCQNJYBP-AEFFLSMTSA-N 0 3 308.466 2.306 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000285850476 403394878 /nfs/dbraw/zinc/39/48/78/403394878.db2.gz PFXKNTCWYBGCSN-RDJZCZTQSA-N 0 3 312.413 2.397 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(C)nsc2NC2CC2)CC1 ZINC000293133088 403396772 /nfs/dbraw/zinc/39/67/72/403396772.db2.gz REVGCDKLBJJWLP-UHFFFAOYSA-N 0 3 320.462 2.406 20 30 DEEDHN CC(C#N)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000331548967 403414191 /nfs/dbraw/zinc/41/41/91/403414191.db2.gz MDPFNCFQVGEPFX-JQWIXIFHSA-N 0 3 301.371 2.356 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000345646121 403417710 /nfs/dbraw/zinc/41/77/10/403417710.db2.gz VLHKPNQTXXJBER-BBRMVZONSA-N 0 3 308.447 2.328 20 30 DEEDHN C[C@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000298603080 403423458 /nfs/dbraw/zinc/42/34/58/403423458.db2.gz BXBURMOXVVMBEU-LSDHHAIUSA-N 0 3 314.433 2.478 20 30 DEEDHN N#CCCN(C(=O)CN[C@@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000285980085 403423483 /nfs/dbraw/zinc/42/34/83/403423483.db2.gz FGRFNLJBMAONDE-DOTOQJQBSA-N 0 3 315.417 2.074 20 30 DEEDHN N#CCc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000339770845 403444264 /nfs/dbraw/zinc/44/42/64/403444264.db2.gz AEIQGYWRLAAFIE-ZWKOTPCHSA-N 0 3 300.402 2.162 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OC)cc2)CC1 ZINC000299152628 403535961 /nfs/dbraw/zinc/53/59/61/403535961.db2.gz NEYRJWHFKTWWFQ-CQSZACIVSA-N 0 3 300.402 2.218 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000332295808 403543460 /nfs/dbraw/zinc/54/34/60/403543460.db2.gz JYHMIJUOAYEVJW-CQSZACIVSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000332295808 403543462 /nfs/dbraw/zinc/54/34/62/403543462.db2.gz JYHMIJUOAYEVJW-CQSZACIVSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000332295808 403543465 /nfs/dbraw/zinc/54/34/65/403543465.db2.gz JYHMIJUOAYEVJW-CQSZACIVSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cccc(CN(C[C@H]2CCCO2)C(=O)C(C)C#N)c1 ZINC000339922525 403494006 /nfs/dbraw/zinc/49/40/06/403494006.db2.gz LVTNJFBLTFWSCA-XJKSGUPXSA-N 0 3 302.374 2.362 20 30 DEEDHN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C(C)C#N ZINC000339920113 403494541 /nfs/dbraw/zinc/49/45/41/403494541.db2.gz CLXROPVNODNYNV-HIFRSBDPSA-N 0 3 302.374 2.362 20 30 DEEDHN C#CCNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000287088920 403554010 /nfs/dbraw/zinc/55/40/10/403554010.db2.gz KZGUEBQUIVDIJT-INIZCTEOSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCN(CCn1ccnc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000346303733 403584050 /nfs/dbraw/zinc/58/40/50/403584050.db2.gz BSAVGDHRESZVBV-HNNXBMFYSA-N 0 3 323.404 2.108 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(F)(C#N)CC1 ZINC000346331143 403585212 /nfs/dbraw/zinc/58/52/12/403585212.db2.gz VVBJADGXIULGTG-ZDUSSCGKSA-N 0 3 310.417 2.144 20 30 DEEDHN C#CCNC(=O)CCN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000293887001 403591173 /nfs/dbraw/zinc/59/11/73/403591173.db2.gz UROLHGGOZSZTHE-UHFFFAOYSA-N 0 3 312.413 2.314 20 30 DEEDHN C=CCCN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000346741438 403600363 /nfs/dbraw/zinc/60/03/63/403600363.db2.gz DDZXORPXQLBQSX-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cnn(C)c2-c2ccccc2)CC1 ZINC000287336998 403577933 /nfs/dbraw/zinc/57/79/33/403577933.db2.gz YLYWTLKQUIVKRZ-UHFFFAOYSA-N 0 3 322.412 2.371 20 30 DEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000347069078 403614214 /nfs/dbraw/zinc/61/42/14/403614214.db2.gz MXRJACQZSDNRJB-GFCCVEGCSA-N 0 3 308.341 2.110 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(Cl)cncc1Cl ZINC000294002731 403620798 /nfs/dbraw/zinc/62/07/98/403620798.db2.gz OZCJVDIPMPTFAJ-UHFFFAOYSA-N 0 3 300.189 2.073 20 30 DEEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000347116124 403616028 /nfs/dbraw/zinc/61/60/28/403616028.db2.gz RHOBUTRPLJLBJH-LLVKDONJSA-N 0 3 303.337 2.162 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)c1ncc(C#N)cc1Cl ZINC000340540799 403641554 /nfs/dbraw/zinc/64/15/54/403641554.db2.gz YBYIPJBUPVZSPP-UHFFFAOYSA-N 0 3 308.813 2.266 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccccc1C)C1CC1 ZINC000343588117 403652211 /nfs/dbraw/zinc/65/22/11/403652211.db2.gz HZOYKOFGEMTXMO-MRXNPFEDSA-N 0 3 301.390 2.048 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(C#N)nn1 ZINC000301895307 403697352 /nfs/dbraw/zinc/69/73/52/403697352.db2.gz BLYMBHIHEPXNPC-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN N#Cc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1Cl ZINC000301594392 403651533 /nfs/dbraw/zinc/65/15/33/403651533.db2.gz YMIGZQBYNNLGJZ-ZDUSSCGKSA-N 0 3 305.809 2.370 20 30 DEEDHN N#CC(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccncn1 ZINC000354472735 403822680 /nfs/dbraw/zinc/82/26/80/403822680.db2.gz PMZZPOWOAWAKGR-NSHDSACASA-N 0 3 307.269 2.356 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CCNC(C)=O)C1 ZINC000347633389 403783741 /nfs/dbraw/zinc/78/37/41/403783741.db2.gz CQANUXGOAMGLKM-OAHLLOKOSA-N 0 3 315.417 2.305 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000411637067 403919088 /nfs/dbraw/zinc/91/90/88/403919088.db2.gz FIPIYPNPKKJWCT-KRWDZBQOSA-N 0 3 317.477 2.439 20 30 DEEDHN CCN(CCC#N)C(=O)CN(CCOC)C[C@@H]1CC=CCC1 ZINC000362250466 403939767 /nfs/dbraw/zinc/93/97/67/403939767.db2.gz MLQVTVFYGDLHCD-MRXNPFEDSA-N 0 3 307.438 2.053 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1CN(C)C ZINC000362798849 403989674 /nfs/dbraw/zinc/98/96/74/403989674.db2.gz SSYWABRODJLAHB-IRXDYDNUSA-N 0 3 302.418 2.346 20 30 DEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000289861822 404003955 /nfs/dbraw/zinc/00/39/55/404003955.db2.gz QYMINGPZMKIRDR-CZUORRHYSA-N 0 3 301.390 2.138 20 30 DEEDHN CN(C)Cc1ccccc1CNS(=O)(=O)CC(C)(C)CC#N ZINC000295676599 404005608 /nfs/dbraw/zinc/00/56/08/404005608.db2.gz BULIWRREFKCROW-UHFFFAOYSA-N 0 3 323.462 2.107 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@@H](c1cccs1)C(C)(C)CO ZINC000289984956 404013513 /nfs/dbraw/zinc/01/35/13/404013513.db2.gz YCXWQTUDLFAIKM-HNNXBMFYSA-N 0 3 323.462 2.159 20 30 DEEDHN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2cccc(C#N)c2)cn1 ZINC000369252464 404021014 /nfs/dbraw/zinc/02/10/14/404021014.db2.gz QCYSGWGTYILGAI-ZWKOTPCHSA-N 0 3 310.401 2.380 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000290089698 404035511 /nfs/dbraw/zinc/03/55/11/404035511.db2.gz KPKMTIVUKMAUQR-GOSISDBHSA-N 0 3 304.434 2.424 20 30 DEEDHN CO[C@](C)([C@@H](C)NCC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000411946743 404027255 /nfs/dbraw/zinc/02/72/55/404027255.db2.gz LLZWYKDKALUXKJ-CZUORRHYSA-N 0 3 307.438 2.122 20 30 DEEDHN CC(C#N)C(=O)N1C[C@@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 ZINC000348067597 404029238 /nfs/dbraw/zinc/02/92/38/404029238.db2.gz DCDASOBNUUAFSA-ZUCKAHLUSA-N 0 3 314.389 2.062 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000348523333 404076418 /nfs/dbraw/zinc/07/64/18/404076418.db2.gz CZFWKSUCOHQKEN-YFCNSXCBSA-N 0 3 317.380 2.179 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363137137 404088890 /nfs/dbraw/zinc/08/88/90/404088890.db2.gz UFZSJUPHFMAORL-JKSUJKDBSA-N 0 3 318.465 2.098 20 30 DEEDHN NC(=O)[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000411975430 404041182 /nfs/dbraw/zinc/04/11/82/404041182.db2.gz XSVPLJKWDMAIEF-RBUKOAKNSA-N 0 3 322.383 2.378 20 30 DEEDHN C=C(C)CN(CCCS(=O)(=O)N(C)C)Cc1ccccc1 ZINC000348232570 404052461 /nfs/dbraw/zinc/05/24/61/404052461.db2.gz IVLIAEMVLTVTIT-UHFFFAOYSA-N 0 3 310.463 2.346 20 30 DEEDHN C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ncccn1 ZINC000328688755 404131169 /nfs/dbraw/zinc/13/11/69/404131169.db2.gz HTNZFJFWEKPBHW-GHMZBOCLSA-N 0 3 303.366 2.084 20 30 DEEDHN O=C(NCCN1CCCCC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328715116 404137315 /nfs/dbraw/zinc/13/73/15/404137315.db2.gz STFLYPWXGSQUHL-CYBMUJFWSA-N 0 3 308.426 2.018 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CCOCC2)[C@@H]1C ZINC000349231358 404137686 /nfs/dbraw/zinc/13/76/86/404137686.db2.gz ALUBFMKIHQCUAI-CVEARBPZSA-N 0 3 306.450 2.467 20 30 DEEDHN Cc1noc(C)c1CCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000328729553 404141172 /nfs/dbraw/zinc/14/11/72/404141172.db2.gz WCFXIWKDDKHWET-UHFFFAOYSA-N 0 3 322.453 2.207 20 30 DEEDHN C[C@H]1COc2ccccc2CN1CCC(=O)N(C)CCC#N ZINC000363720136 404218514 /nfs/dbraw/zinc/21/85/14/404218514.db2.gz QSZPUFUAVJQINC-AWEZNQCLSA-N 0 3 301.390 2.032 20 30 DEEDHN C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)c1ccc(C#N)cc1 ZINC000344511485 404194600 /nfs/dbraw/zinc/19/46/00/404194600.db2.gz LVSXXEHSRJFVLT-KGLIPLIRSA-N 0 3 300.406 2.355 20 30 DEEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CC2(CCOCC2)O1 ZINC000369707035 404200003 /nfs/dbraw/zinc/20/00/03/404200003.db2.gz PBYAKHBMHCYYDB-INIZCTEOSA-N 0 3 322.449 2.357 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329106252 404232943 /nfs/dbraw/zinc/23/29/43/404232943.db2.gz DIYLPJBOMWYKOD-CQSZACIVSA-N 0 3 305.426 2.143 20 30 DEEDHN CN(C)CC1(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CCC1 ZINC000341942074 404269315 /nfs/dbraw/zinc/26/93/15/404269315.db2.gz GVNGRUYTJUMCNL-UHFFFAOYSA-N 0 3 324.384 2.427 20 30 DEEDHN C[C@H](NC(=O)N(C)C1CCC(CO)CC1)C1=CCN(C)CC1 ZINC000329293434 404292936 /nfs/dbraw/zinc/29/29/36/404292936.db2.gz JFDNSTRJSIBWKW-HLIUYOAVSA-N 0 3 309.454 2.034 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)s1 ZINC000341954115 404276824 /nfs/dbraw/zinc/27/68/24/404276824.db2.gz XLAVUOJCVKTKMR-LLVKDONJSA-N 0 3 315.464 2.018 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000329263186 404282965 /nfs/dbraw/zinc/28/29/65/404282965.db2.gz DJQDUHZZWKKPDV-BZUAXINKSA-N 0 3 321.465 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000296527461 404290621 /nfs/dbraw/zinc/29/06/21/404290621.db2.gz ZYGPCKWJEXTQPX-UHFFFAOYSA-N 0 3 317.408 2.112 20 30 DEEDHN CC1(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1C1CC1 ZINC000290833275 404330230 /nfs/dbraw/zinc/33/02/30/404330230.db2.gz UUXGDYJOIFBKSW-NVXWUHKLSA-N 0 3 300.402 2.418 20 30 DEEDHN CC1(C)CN(C[C@H](O)COc2ccc(C#N)cc2)[C@H]1C1CC1 ZINC000290833278 404330499 /nfs/dbraw/zinc/33/04/99/404330499.db2.gz UUXGDYJOIFBKSW-RDJZCZTQSA-N 0 3 300.402 2.418 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 ZINC000329433821 404334760 /nfs/dbraw/zinc/33/47/60/404334760.db2.gz IIIHODRGTFWWIY-UONOGXRCSA-N 0 3 310.442 2.411 20 30 DEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000329439360 404336586 /nfs/dbraw/zinc/33/65/86/404336586.db2.gz MOZLMDCNVJPGHI-KCQAQPDRSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355490076 404343626 /nfs/dbraw/zinc/34/36/26/404343626.db2.gz CWBKHSFXAFFZBG-OAHLLOKOSA-N 0 3 317.433 2.487 20 30 DEEDHN C#CCOc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC000296879551 404355624 /nfs/dbraw/zinc/35/56/24/404355624.db2.gz GCZJVYKMUPFMES-KRWDZBQOSA-N 0 3 300.402 2.189 20 30 DEEDHN N#CCCCOc1cccc(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000364509642 404427395 /nfs/dbraw/zinc/42/73/95/404427395.db2.gz MTFCYXAEEYXXHC-MRXNPFEDSA-N 0 3 311.389 2.408 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2ccnn2C)CCN1C ZINC000329619386 404395609 /nfs/dbraw/zinc/39/56/09/404395609.db2.gz FEPYBEPLGCVVSS-FMKPAKJESA-N 0 3 319.453 2.344 20 30 DEEDHN C#CCOc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000297211265 404502445 /nfs/dbraw/zinc/50/24/45/404502445.db2.gz YYICXQIXARSDBN-UHFFFAOYSA-N 0 3 312.413 2.189 20 30 DEEDHN C=CCN1CCC(N[C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC000414080638 404506108 /nfs/dbraw/zinc/50/61/08/404506108.db2.gz DJDRFXOCYKREMJ-LLVKDONJSA-N 0 3 309.435 2.231 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cccc(C)c1C ZINC000297079185 404441435 /nfs/dbraw/zinc/44/14/35/404441435.db2.gz ZDTMVQOREHHBRC-UHFFFAOYSA-N 0 3 301.434 2.400 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000350730781 404452943 /nfs/dbraw/zinc/45/29/43/404452943.db2.gz VXTFYIMYGWYQTB-ILXRZTDVSA-N 0 3 319.453 2.235 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000329820858 404462126 /nfs/dbraw/zinc/46/21/26/404462126.db2.gz YKBDMPCPESMROC-SRABZTEZSA-N 0 3 323.481 2.424 20 30 DEEDHN CC(C)C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CCO1 ZINC000330195365 404582910 /nfs/dbraw/zinc/58/29/10/404582910.db2.gz PCOUVYRVLVIUPW-RRFJBIMHSA-N 0 3 320.437 2.295 20 30 DEEDHN Cc1nc([C@@H](NC(=O)C(C)C#N)c2ccc(Cl)cc2)no1 ZINC000356547393 404585029 /nfs/dbraw/zinc/58/50/29/404585029.db2.gz LISOXFDHIYDTGE-PELKAZGASA-N 0 3 304.737 2.397 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOC3(CCC3)C2)CN1C1CC1 ZINC000330208459 404586161 /nfs/dbraw/zinc/58/61/61/404586161.db2.gz GTWPKMOYHFIXAN-RDBSUJKOSA-N 0 3 307.438 2.217 20 30 DEEDHN C[C@@H]1C(=O)CC[C@H]1CC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000330020993 404529908 /nfs/dbraw/zinc/52/99/08/404529908.db2.gz XBYAWIMAGGYRPL-SOUVJXGZSA-N 0 3 310.438 2.041 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414173705 404534814 /nfs/dbraw/zinc/53/48/14/404534814.db2.gz XFLNOQUIISSCPR-GFCCVEGCSA-N 0 3 309.435 2.185 20 30 DEEDHN Cc1nnccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000330127802 404560382 /nfs/dbraw/zinc/56/03/82/404560382.db2.gz NDXMPLSMKMLGHG-UHFFFAOYSA-N 0 3 305.426 2.384 20 30 DEEDHN CC[C@H](C)n1ncc(NC(=O)N2CCN3CCC[C@H]3C2)c1C ZINC000330140403 404563834 /nfs/dbraw/zinc/56/38/34/404563834.db2.gz WYZZSHPQTGSETH-JSGCOSHPSA-N 0 3 305.426 2.488 20 30 DEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCOC1 ZINC000330182471 404575768 /nfs/dbraw/zinc/57/57/68/404575768.db2.gz HGJHHWXRXVXBFC-AWEZNQCLSA-N 0 3 304.390 2.268 20 30 DEEDHN CCOc1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1 ZINC000342543585 404643432 /nfs/dbraw/zinc/64/34/32/404643432.db2.gz JWFNXANSIONVAD-UHFFFAOYSA-N 0 3 303.406 2.279 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000330320382 404625838 /nfs/dbraw/zinc/62/58/38/404625838.db2.gz FALFYMNZQQNSRT-IIAWOOMASA-N 0 3 320.437 2.471 20 30 DEEDHN C=CCN1CC(=O)N([C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1=O ZINC000365357825 404631435 /nfs/dbraw/zinc/63/14/35/404631435.db2.gz RLZFYUZQNGRUEX-GDBMZVCRSA-N 0 3 313.401 2.100 20 30 DEEDHN C[C@H](CNC(=O)N1CC[C@@H](O)C12CCCC2)N1CCC(C)CC1 ZINC000330345149 404632509 /nfs/dbraw/zinc/63/25/09/404632509.db2.gz DUVAOBJYZFRFDO-HZPDHXFCSA-N 0 3 323.481 2.400 20 30 DEEDHN Cc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)nn1C ZINC000414439593 404632571 /nfs/dbraw/zinc/63/25/71/404632571.db2.gz LKDSINWHESSTGG-UHFFFAOYSA-N 0 3 311.433 2.164 20 30 DEEDHN N#Cc1ccncc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000342608646 404675904 /nfs/dbraw/zinc/67/59/04/404675904.db2.gz PPLKDZCUSWFVBV-KRWDZBQOSA-N 0 3 320.396 2.348 20 30 DEEDHN C[C@H]1CN(C2CCN(Cc3cccc(C#N)c3F)CC2)CCO1 ZINC000352888813 404682515 /nfs/dbraw/zinc/68/25/15/404682515.db2.gz VZFCOJOQCZTJHJ-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000357314447 404732857 /nfs/dbraw/zinc/73/28/57/404732857.db2.gz YAQRICZQZSIULQ-KRWDZBQOSA-N 0 3 302.418 2.216 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC1 ZINC000357525747 404737120 /nfs/dbraw/zinc/73/71/20/404737120.db2.gz FTUSSXGWOYXBGC-UHFFFAOYSA-N 0 3 321.808 2.418 20 30 DEEDHN C=C[C@@H](CO)Nc1ccnc2cc(OCC)c(OCC)cc21 ZINC000357604371 404738607 /nfs/dbraw/zinc/73/86/07/404738607.db2.gz SAEKAJODNLGJQW-LBPRGKRZSA-N 0 3 302.374 2.413 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)COC3)CC1 ZINC000357583755 404738860 /nfs/dbraw/zinc/73/88/60/404738860.db2.gz STKQJJNBEYBQBP-UHFFFAOYSA-N 0 3 300.402 2.487 20 30 DEEDHN C=CCN(CCOC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358290072 404759113 /nfs/dbraw/zinc/75/91/13/404759113.db2.gz LPTFFEKEKAVOSN-QGZVFWFLSA-N 0 3 317.433 2.105 20 30 DEEDHN C=CCc1cc(CN[C@@H]2CCOC[C@@H]2OCC)cc(OC)c1O ZINC000353189299 404764479 /nfs/dbraw/zinc/76/44/79/404764479.db2.gz UUOONCUNWGBWEZ-WBVHZDCISA-N 0 3 321.417 2.413 20 30 DEEDHN C[C@H]1COCCN1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000375610649 404726095 /nfs/dbraw/zinc/72/60/95/404726095.db2.gz GWCBNLPVWGVDDP-INIZCTEOSA-N 0 3 311.429 2.368 20 30 DEEDHN Cc1cc(Cl)ccc1CN1CCN(C(=O)C(C)C#N)CC1 ZINC000358968605 404780308 /nfs/dbraw/zinc/78/03/08/404780308.db2.gz TWNWVHZRMKRERY-CYBMUJFWSA-N 0 3 305.809 2.452 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CNCCC2(F)F)cc1OC ZINC000415009314 404787210 /nfs/dbraw/zinc/78/72/10/404787210.db2.gz XDEPNTIRZDZMJY-HNNXBMFYSA-N 0 3 312.360 2.347 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000359293195 404788718 /nfs/dbraw/zinc/78/87/18/404788718.db2.gz URXJFQONPHYBTE-UHFFFAOYSA-N 0 3 317.433 2.182 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000359358596 404791445 /nfs/dbraw/zinc/79/14/45/404791445.db2.gz IXESCBVOYINEBT-OAHLLOKOSA-N 0 3 310.332 2.095 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000360077382 404816670 /nfs/dbraw/zinc/81/66/70/404816670.db2.gz YTPFUTHPLJVUTO-CVEARBPZSA-N 0 3 300.406 2.240 20 30 DEEDHN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C#N)cc1C ZINC000360141195 404819800 /nfs/dbraw/zinc/81/98/00/404819800.db2.gz KKXSHGKRPIVHFJ-TZMCWYRMSA-N 0 3 317.414 2.303 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000366707772 404835729 /nfs/dbraw/zinc/83/57/29/404835729.db2.gz IKNTXYQUKJPVBD-NCOADZHNSA-N 0 3 321.465 2.093 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416695856 404884830 /nfs/dbraw/zinc/88/48/30/404884830.db2.gz USPHPSDRTQTHDY-WBVHZDCISA-N 0 3 312.417 2.329 20 30 DEEDHN C[C@@H]1CN(CCCNC(=O)[C@@]2(C#N)CC23CCCC3)CCCO1 ZINC000451182156 404890896 /nfs/dbraw/zinc/89/08/96/404890896.db2.gz GYDJREAZFOYOTE-QAPCUYQASA-N 0 3 319.449 2.078 20 30 DEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415312982 404844917 /nfs/dbraw/zinc/84/49/17/404844917.db2.gz HJLNBUPQOWOOBQ-RISCZKNCSA-N 0 3 302.378 2.101 20 30 DEEDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)CO1 ZINC000424116490 405011475 /nfs/dbraw/zinc/01/14/75/405011475.db2.gz BUTKYFXWZLJKIS-XIRDDKMYSA-N 0 3 315.417 2.305 20 30 DEEDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](N)CCCC#N)[C@@H](C)CO1 ZINC000424116489 405011714 /nfs/dbraw/zinc/01/17/14/405011714.db2.gz BUTKYFXWZLJKIS-UAGQMJEPSA-N 0 3 315.417 2.305 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1sccc1Br ZINC000424114715 405011842 /nfs/dbraw/zinc/01/18/42/405011842.db2.gz SAZXPEKZEYRFSF-VIFPVBQESA-N 0 3 316.224 2.148 20 30 DEEDHN COc1ccc([C@H](C)CCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424116965 405011926 /nfs/dbraw/zinc/01/19/26/405011926.db2.gz CDQVWBTZESEPJQ-CJNGLKHVSA-N 0 3 303.406 2.326 20 30 DEEDHN Cc1nc(-c2ccc(C)c(NC(=O)[C@@H](N)CCCC#N)c2)n[nH]1 ZINC000424127303 405015131 /nfs/dbraw/zinc/01/51/31/405015131.db2.gz VCXHQWYOGWBGJL-ZDUSSCGKSA-N 0 3 312.377 2.048 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(Cl)c1 ZINC000424127336 405015238 /nfs/dbraw/zinc/01/52/38/405015238.db2.gz QKRKKLSHYMGBGD-FZMZJTMJSA-N 0 3 309.797 2.245 20 30 DEEDHN CCCOc1cc(C)ccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424126514 405015559 /nfs/dbraw/zinc/01/55/59/405015559.db2.gz PDWKKDHUXZZCSH-HNNXBMFYSA-N 0 3 303.406 2.421 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000424135400 405018635 /nfs/dbraw/zinc/01/86/35/405018635.db2.gz MFXQHBHRYSISCL-NVXWUHKLSA-N 0 3 308.385 2.308 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000424143576 405020865 /nfs/dbraw/zinc/02/08/65/405020865.db2.gz WLJWVUORYSHWOI-SNVBAGLBSA-N 0 3 301.375 2.165 20 30 DEEDHN Cc1nc(C(=O)N(C)C(C)(C)CN2CCCC2)ccc1C#N ZINC000416095427 405023818 /nfs/dbraw/zinc/02/38/18/405023818.db2.gz NVNOZHWJYGWDPR-UHFFFAOYSA-N 0 3 300.406 2.208 20 30 DEEDHN CCC[C@]1(CO)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000367361125 405024080 /nfs/dbraw/zinc/02/40/80/405024080.db2.gz MTXJXUWWCMNOFE-INIZCTEOSA-N 0 3 321.446 2.433 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000424176086 405031277 /nfs/dbraw/zinc/03/12/77/405031277.db2.gz RMNRPZVZVXJIDX-GJZGRUSLSA-N 0 3 321.808 2.261 20 30 DEEDHN Cc1nc(-c2ccc(CNC(=O)[C@H](N)CCCC#N)o2)cs1 ZINC000424063031 404990515 /nfs/dbraw/zinc/99/05/15/404990515.db2.gz LYYOJBHGXWLWNH-GFCCVEGCSA-N 0 3 318.402 2.349 20 30 DEEDHN C=CCn1cc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000424297313 405060589 /nfs/dbraw/zinc/06/05/89/405060589.db2.gz QEXAWSFZEYAAFG-ZDUSSCGKSA-N 0 3 315.377 2.483 20 30 DEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000416397187 405129816 /nfs/dbraw/zinc/12/98/16/405129816.db2.gz IATOKNHODWJYQI-WDEREUQCSA-N 0 3 313.279 2.003 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416349838 405114868 /nfs/dbraw/zinc/11/48/68/405114868.db2.gz HGIXKFJPKBOWOS-GJZGRUSLSA-N 0 3 321.371 2.215 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000452122990 405183802 /nfs/dbraw/zinc/18/38/02/405183802.db2.gz LWFBIYRJJOKOEG-HPBDAGMYSA-N 0 3 314.429 2.357 20 30 DEEDHN CN1CCC(N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)CC1 ZINC000361681246 405196397 /nfs/dbraw/zinc/19/63/97/405196397.db2.gz ISPABPBIYBBACG-ZDUSSCGKSA-N 0 3 319.840 2.187 20 30 DEEDHN CCN(Cc1ccccc1NC(=O)[C@H](C)C#N)C(=O)C(C)C#N ZINC000424892713 405207380 /nfs/dbraw/zinc/20/73/80/405207380.db2.gz NTZYCXWNBBANBX-OLZOCXBDSA-N 0 3 312.373 2.293 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c(F)cccc2C#N)C1 ZINC000354358275 405174598 /nfs/dbraw/zinc/17/45/98/405174598.db2.gz JPXLSZANXGKFET-WMLDXEAASA-N 0 3 315.392 2.183 20 30 DEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000361638389 405175931 /nfs/dbraw/zinc/17/59/31/405175931.db2.gz BZIOVLPTMJDYKG-UHFFFAOYSA-N 0 3 305.397 2.312 20 30 DEEDHN N#Cc1ccc(OCCN(CCO)[C@H]2CCCSC2)cc1 ZINC000439004442 405262746 /nfs/dbraw/zinc/26/27/46/405262746.db2.gz QEECUYQEFKPLLL-HNNXBMFYSA-N 0 3 306.431 2.127 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1ccccc1 ZINC000420000948 405279129 /nfs/dbraw/zinc/27/91/29/405279129.db2.gz QORFDKYFWLZDQO-AEFFLSMTSA-N 0 3 304.434 2.165 20 30 DEEDHN C[C@H]1C[C@@]1(C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425006358 405228605 /nfs/dbraw/zinc/22/86/05/405228605.db2.gz LUKSOYLJFOZWAP-RMRDIRSESA-N 0 3 309.413 2.269 20 30 DEEDHN CO[C@@H](CC(C)C)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000419284740 405234940 /nfs/dbraw/zinc/23/49/40/405234940.db2.gz TYJCSQSELWLLKV-HOTGVXAUSA-N 0 3 303.406 2.467 20 30 DEEDHN COc1cc(OC)cc(OCCCN(C)C(=O)C(C)C#N)c1 ZINC000440758894 405325492 /nfs/dbraw/zinc/32/54/92/405325492.db2.gz WPLNGEWVFNVGMJ-LBPRGKRZSA-N 0 3 306.362 2.091 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000454388404 405339231 /nfs/dbraw/zinc/33/92/31/405339231.db2.gz RCZYCSTXKXIKNY-SJORKVTESA-N 0 3 317.433 2.151 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nccn2CC)CC1 ZINC000454458959 405348056 /nfs/dbraw/zinc/34/80/56/405348056.db2.gz GJJVLHYFNVSYGR-CQSZACIVSA-N 0 3 319.453 2.304 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425605786 405306759 /nfs/dbraw/zinc/30/67/59/405306759.db2.gz LZTMCMCGUXACIS-NUJGCVRESA-N 0 3 314.429 2.487 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000446600744 405386220 /nfs/dbraw/zinc/38/62/20/405386220.db2.gz SCCNNXOBYGXBIV-UONOGXRCSA-N 0 3 308.385 2.432 20 30 DEEDHN C[C@@H]1C[C@@H](CO)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000420932153 405408348 /nfs/dbraw/zinc/40/83/48/405408348.db2.gz DUCXHSPRDOGALC-GDBMZVCRSA-N 0 3 324.428 2.409 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCc3ncsc3C2)CC1 ZINC000446142349 405374225 /nfs/dbraw/zinc/37/42/25/405374225.db2.gz VVZYKWPICWDZLS-UHFFFAOYSA-N 0 3 320.462 2.251 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000448673525 405434580 /nfs/dbraw/zinc/43/45/80/405434580.db2.gz AVZDTHWUUIUYSN-UHFFFAOYSA-N 0 3 322.412 2.373 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H](C)c1cccs1 ZINC000429706433 405444202 /nfs/dbraw/zinc/44/42/02/405444202.db2.gz GALPOSYZCBHFFI-AWEZNQCLSA-N 0 3 309.479 2.365 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)NCc1ccccc1C ZINC000429731889 405446215 /nfs/dbraw/zinc/44/62/15/405446215.db2.gz UEGAEJXAVBHHNN-UHFFFAOYSA-N 0 3 303.450 2.051 20 30 DEEDHN CCN1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455754376 405447459 /nfs/dbraw/zinc/44/74/59/405447459.db2.gz LRBJCDMLIFXARG-UHFFFAOYSA-N 0 3 307.785 2.212 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000448816227 405451808 /nfs/dbraw/zinc/45/18/08/405451808.db2.gz NLYDPSJKIATJGW-SJORKVTESA-N 0 3 302.418 2.168 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000493034511 405523576 /nfs/dbraw/zinc/52/35/76/405523576.db2.gz DYTFTPRPWURUGC-UPJWGTAASA-N 0 3 309.410 2.440 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000458815861 405605825 /nfs/dbraw/zinc/60/58/25/405605825.db2.gz ZPAKONHPDSOPNL-UHFFFAOYSA-N 0 3 323.481 2.343 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000557737722 405624302 /nfs/dbraw/zinc/62/43/02/405624302.db2.gz KEKMWBBQVOIHIY-IJEWVQPXSA-N 0 3 300.406 2.108 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000568621989 292354842 /nfs/dbraw/zinc/35/48/42/292354842.db2.gz QDKRFUQNZCMTCP-DZGCQCFKSA-N 0 3 303.793 2.378 20 30 DEEDHN C=CCOc1ccc(CNC(=O)NC(C)(C)CN(C)C)cc1 ZINC000458760686 405576507 /nfs/dbraw/zinc/57/65/07/405576507.db2.gz GSLHYAXEGUAXJZ-UHFFFAOYSA-N 0 3 305.422 2.391 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC(=O)OCC)cc1 ZINC000449519126 405595040 /nfs/dbraw/zinc/59/50/40/405595040.db2.gz LOIYQDBJFWTXOT-CVEARBPZSA-N 0 3 305.374 2.062 20 30 DEEDHN C=CCN1CC[C@@H](N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)C1=O ZINC000558136748 405643484 /nfs/dbraw/zinc/64/34/84/405643484.db2.gz SBIYDHUMFDRRMD-SOLBZPMBSA-N 0 3 316.445 2.260 20 30 DEEDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494216033 405662910 /nfs/dbraw/zinc/66/29/10/405662910.db2.gz LYBKODDAEYNOLU-BMIGLBTASA-N 0 3 307.781 2.307 20 30 DEEDHN CC(C#N)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457068160 405677951 /nfs/dbraw/zinc/67/79/51/405677951.db2.gz UEFGUJCYZWMJKC-ZETCQYMHSA-N 0 3 307.151 2.101 20 30 DEEDHN C[C@H](CNC(=O)CNc1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000494543049 405717211 /nfs/dbraw/zinc/71/72/11/405717211.db2.gz FKKMLZSXAGDWDH-HUUCEWRRSA-N 0 3 314.433 2.349 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000528730749 405728048 /nfs/dbraw/zinc/72/80/48/405728048.db2.gz ZMRRQUWQVNUWQV-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)c1 ZINC000528915203 405744664 /nfs/dbraw/zinc/74/46/64/405744664.db2.gz BCFIZXKWGXSTKV-OAHLLOKOSA-N 0 3 308.341 2.488 20 30 DEEDHN N#Cc1cnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000584109257 405825491 /nfs/dbraw/zinc/82/54/91/405825491.db2.gz DGIWBMSJPAGYNS-DOTOQJQBSA-N 0 3 305.385 2.059 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCC(=O)OC)CC1 ZINC000531002017 405895162 /nfs/dbraw/zinc/89/51/62/405895162.db2.gz DHNGLHIUMSSPGJ-HNNXBMFYSA-N 0 3 324.465 2.465 20 30 DEEDHN CCN1C[C@H](C)N(CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000459485216 405924948 /nfs/dbraw/zinc/92/49/48/405924948.db2.gz TWWFJQMLRKWJPU-GJZGRUSLSA-N 0 3 317.433 2.360 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495653765 405927580 /nfs/dbraw/zinc/92/75/80/405927580.db2.gz CIEOLHYTCFVPQU-MGPQQGTHSA-N 0 3 311.426 2.150 20 30 DEEDHN CC(C#N)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495775400 405933120 /nfs/dbraw/zinc/93/31/20/405933120.db2.gz RBHTXWFOXPMMHW-ZDUSSCGKSA-N 0 3 321.421 2.396 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496009818 405944244 /nfs/dbraw/zinc/94/42/44/405944244.db2.gz JSFDILDXXMAZBN-CHWSQXEVSA-N 0 3 309.410 2.299 20 30 DEEDHN C=CCOc1ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000628368148 405946397 /nfs/dbraw/zinc/94/63/97/405946397.db2.gz PFTBVFSUHQTMAT-OAHLLOKOSA-N 0 3 318.417 2.313 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000450537981 405946720 /nfs/dbraw/zinc/94/67/20/405946720.db2.gz FDWUCLSTZXWQGM-SGMGOOAPSA-N 0 3 315.377 2.028 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1C[C@@H](O)C1)C(C)C ZINC000636573813 406013923 /nfs/dbraw/zinc/01/39/23/406013923.db2.gz IFNDGOCKWBYDJD-BBWFWOEESA-N 0 3 323.481 2.097 20 30 DEEDHN Cc1ncc(CNC[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000567228019 406095328 /nfs/dbraw/zinc/09/53/28/406095328.db2.gz CCBUTXKTGPNUNY-AWEZNQCLSA-N 0 3 317.414 2.047 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnn3c2C[C@@H](C)CC3)CC1 ZINC000567503734 406097666 /nfs/dbraw/zinc/09/76/66/406097666.db2.gz SXCKMLRRFWJNQF-AWEZNQCLSA-N 0 3 316.449 2.236 20 30 DEEDHN N#CCc1cccc(C(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000563339066 406059523 /nfs/dbraw/zinc/05/95/23/406059523.db2.gz NUGTVGSYXDDGKC-SFHVURJKSA-N 0 3 305.381 2.369 20 30 DEEDHN N#CCCC1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000564657785 406064956 /nfs/dbraw/zinc/06/49/56/406064956.db2.gz ODMKHMSYBXPMFG-INIZCTEOSA-N 0 3 303.381 2.410 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000518927450 406166632 /nfs/dbraw/zinc/16/66/32/406166632.db2.gz KFYNFMLHCBHOMO-QUCCMNQESA-N 0 3 322.408 2.400 20 30 DEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](c3ccnn3C)C2)nn1 ZINC000567890529 406154844 /nfs/dbraw/zinc/15/48/44/406154844.db2.gz CIHNQMZGHXRMFK-UONOGXRCSA-N 0 3 300.410 2.014 20 30 DEEDHN N#Cc1ccc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)s1 ZINC000519706444 406239806 /nfs/dbraw/zinc/23/98/06/406239806.db2.gz NLVUHCPNTJEQIK-UHFFFAOYSA-N 0 3 315.442 2.390 20 30 DEEDHN C=CCn1cccc1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000488914691 406360195 /nfs/dbraw/zinc/36/01/95/406360195.db2.gz UUROTHSJKDZRKS-CVEARBPZSA-N 0 3 319.474 2.326 20 30 DEEDHN C=CCN1CCC(Nc2ncc(C(=O)OCC)c(C)n2)CC1 ZINC000540869535 406297482 /nfs/dbraw/zinc/29/74/82/406297482.db2.gz SMQWSPAVJXKGEE-UHFFFAOYSA-N 0 3 304.394 2.024 20 30 DEEDHN COC(=O)CC1(NCc2ccc(C#N)c(C)c2)CCOCC1 ZINC000488167913 406298886 /nfs/dbraw/zinc/29/88/86/406298886.db2.gz XRNZGWZTXUCYAB-UHFFFAOYSA-N 0 3 302.374 2.069 20 30 DEEDHN COCCN(CCOc1ccccc1C#N)[C@H]1CCO[C@H]1C ZINC000489406171 406403140 /nfs/dbraw/zinc/40/31/40/406403140.db2.gz OCSSDLPOVLZIDR-HOCLYGCPSA-N 0 3 304.390 2.063 20 30 DEEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(C(=O)OC)cc1 ZINC000489506023 406414695 /nfs/dbraw/zinc/41/46/95/406414695.db2.gz FXTAFTMCFBLVRO-HOTGVXAUSA-N 0 3 319.401 2.253 20 30 DEEDHN C=CCn1cccc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000489008740 406368719 /nfs/dbraw/zinc/36/87/19/406368719.db2.gz BMXRINMWFCUTMX-UHFFFAOYSA-N 0 3 312.417 2.273 20 30 DEEDHN Cc1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1C#N ZINC000489046644 406373515 /nfs/dbraw/zinc/37/35/15/406373515.db2.gz UWNBJNXZZLQYGX-HNNXBMFYSA-N 0 3 301.434 2.144 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000490575255 406471219 /nfs/dbraw/zinc/47/12/19/406471219.db2.gz PXAPABCFOCOOBL-HNNXBMFYSA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc(F)c2OC)CC1 ZINC000490829659 406495751 /nfs/dbraw/zinc/49/57/51/406495751.db2.gz DDSGGDCLZOVHOD-UHFFFAOYSA-N 0 3 308.328 2.257 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490096143 406452312 /nfs/dbraw/zinc/45/23/12/406452312.db2.gz TWQZWUDVBWXKEL-HOCLYGCPSA-N 0 3 315.417 2.185 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548640259 406534805 /nfs/dbraw/zinc/53/48/05/406534805.db2.gz SUSOSMYJXNYXJD-ZUZCIYMTSA-N 0 3 303.793 2.424 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000525804084 406503449 /nfs/dbraw/zinc/50/34/49/406503449.db2.gz ICEQDCJXULLIDA-CYBMUJFWSA-N 0 3 303.431 2.108 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(OCCC)c(OC)c1 ZINC000491068696 406523613 /nfs/dbraw/zinc/52/36/13/406523613.db2.gz PZBCKNJWQBMRDP-AWEZNQCLSA-N 0 3 318.417 2.274 20 30 DEEDHN C#C[C@@H](NCc1ccccc1OCC(=O)N1CCCC1)C(C)C ZINC000491621634 406635437 /nfs/dbraw/zinc/63/54/37/406635437.db2.gz IEHRKUARDUHMIG-QGZVFWFLSA-N 0 3 314.429 2.435 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000491474306 406600267 /nfs/dbraw/zinc/60/02/67/406600267.db2.gz LQBWMYCFPLGCAK-UHFFFAOYSA-N 0 3 313.445 2.341 20 30 DEEDHN C#C[C@H](CC)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000491554097 406619620 /nfs/dbraw/zinc/61/96/20/406619620.db2.gz GGKWVLRTESOIMO-QGZVFWFLSA-N 0 3 313.445 2.035 20 30 DEEDHN C#CCN1CCC[C@@H]1COC(=O)c1cccc(CN(C)C)c1 ZINC000491568258 406626167 /nfs/dbraw/zinc/62/61/67/406626167.db2.gz PVCCGKKRXMQEHC-QGZVFWFLSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc2c([nH]1)c(F)ccc2OC ZINC000491348019 406573489 /nfs/dbraw/zinc/57/34/89/406573489.db2.gz BJIPZFZNDSCGOS-UHFFFAOYSA-N 0 3 317.364 2.001 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000491348730 406573601 /nfs/dbraw/zinc/57/36/01/406573601.db2.gz FFZFYCOKRLEDOP-CRAIPNDOSA-N 0 3 311.429 2.314 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000491351386 406574128 /nfs/dbraw/zinc/57/41/28/406574128.db2.gz TYNQTRUDFAGKMK-AWEZNQCLSA-N 0 3 309.479 2.011 20 30 DEEDHN C#CCNC(=O)CCNC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000491413978 406587937 /nfs/dbraw/zinc/58/79/37/406587937.db2.gz ASALMNYQYRLEBK-IBGZPJMESA-N 0 3 322.408 2.116 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC(F)(F)F)C(C)C ZINC000491427985 406591698 /nfs/dbraw/zinc/59/16/98/406591698.db2.gz MWFPJZDJSVXQGJ-GFCCVEGCSA-N 0 3 307.360 2.218 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@H](SCC)C1 ZINC000491717557 406686826 /nfs/dbraw/zinc/68/68/26/406686826.db2.gz RCBPSQDJGWGURY-CABCVRRESA-N 0 3 311.495 2.305 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000491726228 406689176 /nfs/dbraw/zinc/68/91/76/406689176.db2.gz FUEBGASISRDUNQ-OKZBNKHCSA-N 0 3 311.429 2.314 20 30 DEEDHN C#CCNC(=O)CCNC1CC(F)(c2cccc(Cl)c2)C1 ZINC000491734001 406693363 /nfs/dbraw/zinc/69/33/63/406693363.db2.gz SBSZFMFYMISXAT-UHFFFAOYSA-N 0 3 308.784 2.396 20 30 DEEDHN C#C[C@H](CC)NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000491630896 406641195 /nfs/dbraw/zinc/64/11/95/406641195.db2.gz OMOXIUFPSPIHBP-CYBMUJFWSA-N 0 3 309.406 2.040 20 30 DEEDHN C#CCNC(=O)CCN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000491634248 406643229 /nfs/dbraw/zinc/64/32/29/406643229.db2.gz JNJUHPITNMLIQB-UONOGXRCSA-N 0 3 300.402 2.142 20 30 DEEDHN C#CCN(C)CCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000491635860 406643417 /nfs/dbraw/zinc/64/34/17/406643417.db2.gz URCTUXCYTKKVTC-SFHVURJKSA-N 0 3 314.408 2.193 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1ccc(F)cc1 ZINC000491642139 406646753 /nfs/dbraw/zinc/64/67/53/406646753.db2.gz VTKBJLQTNBXGNT-WBMJQRKESA-N 0 3 303.381 2.282 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)C1CCC(F)(F)CC1 ZINC000491816468 406734183 /nfs/dbraw/zinc/73/41/83/406734183.db2.gz HLWZCCHKXNXKDY-UHFFFAOYSA-N 0 3 301.381 2.161 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000491815788 406734578 /nfs/dbraw/zinc/73/45/78/406734578.db2.gz LTAJYKICENTCQR-WFASDCNBSA-N 0 3 321.371 2.075 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000553781573 406774894 /nfs/dbraw/zinc/77/48/94/406774894.db2.gz CDLWIVVTFPQNFC-HDMKZQKVSA-N 0 3 311.429 2.289 20 30 DEEDHN N#Cc1cccc(C2(NC(=O)N[C@@H]3CCN(C4CC4)C3)CC2)c1 ZINC000554559930 406812572 /nfs/dbraw/zinc/81/25/72/406812572.db2.gz RHWTYMIBUHSQRD-OAHLLOKOSA-N 0 3 310.401 2.083 20 30 DEEDHN CN(C)C1(CNC(=O)/C=C\c2ccc(OCC#N)cc2)CCC1 ZINC000492016050 406810278 /nfs/dbraw/zinc/81/02/78/406810278.db2.gz MJSCZZKISJYZGO-TWGQIWQCSA-N 0 3 313.401 2.203 20 30 DEEDHN CC(=O)c1cccc(OC[C@@H](O)CNCC(C)(C)CC#N)c1 ZINC000576030143 406828048 /nfs/dbraw/zinc/82/80/48/406828048.db2.gz OZHRFSCMKCBTCS-HNNXBMFYSA-N 0 3 304.390 2.158 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000576389266 406830520 /nfs/dbraw/zinc/83/05/20/406830520.db2.gz CLIYWSALCOAQKR-SFHVURJKSA-N 0 3 321.380 2.154 20 30 DEEDHN CC(C)(CC#N)CNC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000576578315 406831897 /nfs/dbraw/zinc/83/18/97/406831897.db2.gz KZXBWGPLFQEKIX-CYBMUJFWSA-N 0 3 301.390 2.437 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@@H]3CN(C)C[C@H]32)c1C ZINC000644735122 407177279 /nfs/dbraw/zinc/17/72/79/407177279.db2.gz QRDPIHAQALHOEV-NVXWUHKLSA-N 0 3 301.434 2.110 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)CC2CC2)C2CC2)s1 ZINC001422964501 1172980252 /nfs/dbraw/zinc/98/02/52/1172980252.db2.gz OMAOWDPAIUCODH-OAHLLOKOSA-N 0 3 303.431 2.404 20 30 DEEDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000131954530 196213757 /nfs/dbraw/zinc/21/37/57/196213757.db2.gz BDVBTNOJZWWIRE-SJORKVTESA-N 0 3 310.401 2.237 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(N3CCOCC3)n2)C1 ZINC000278680441 225479357 /nfs/dbraw/zinc/47/93/57/225479357.db2.gz JUZGBPMSSZFVSE-CABCVRRESA-N 0 3 300.406 2.090 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NCCC(=O)NC2CCCC2)cnn1C ZINC000328635457 225778453 /nfs/dbraw/zinc/77/84/53/225778453.db2.gz UTWFPJBTZFDAEG-DOTOQJQBSA-N 0 3 320.437 2.437 20 30 DEEDHN Cn1cc(C(=O)NCCN2CCCCCC2)c([C@@H]2CCOC2)n1 ZINC000329888369 225942133 /nfs/dbraw/zinc/94/21/33/225942133.db2.gz YUVGPBFPMSRCJL-CQSZACIVSA-N 0 3 320.437 2.105 20 30 DEEDHN Cc1noc(C(C)C)c1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000330398923 226003065 /nfs/dbraw/zinc/00/30/65/226003065.db2.gz QXJRVGWKJFIUQQ-CYBMUJFWSA-N 0 3 322.453 2.295 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330857756 226036881 /nfs/dbraw/zinc/03/68/81/226036881.db2.gz QKBGDKRMPNWXCS-NSHDSACASA-N 0 3 310.329 2.305 20 30 DEEDHN Cc1nccn1CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000339258303 226184617 /nfs/dbraw/zinc/18/46/17/226184617.db2.gz JDFQDRFINFJHLW-QGZVFWFLSA-N 0 3 310.401 2.470 20 30 DEEDHN NC(C(=O)NCc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000353171051 226707025 /nfs/dbraw/zinc/70/70/25/226707025.db2.gz AWRFNFONTFWQCU-QMMMGPOBSA-N 0 3 318.192 2.350 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000291046971 222095682 /nfs/dbraw/zinc/09/56/82/222095682.db2.gz LUDFGWFBIOFFGZ-KBXCAEBGSA-N 0 3 317.433 2.050 20 30 DEEDHN COCCCN(C(=O)c1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000291221707 222236030 /nfs/dbraw/zinc/23/60/30/222236030.db2.gz ONGBSYXVIQTUIO-UHFFFAOYSA-N 0 3 315.417 2.131 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413913116 228396093 /nfs/dbraw/zinc/39/60/93/228396093.db2.gz JUWJDHJUNVWTCP-MEDUHNTESA-N 0 3 305.353 2.254 20 30 DEEDHN C[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000299331809 229055376 /nfs/dbraw/zinc/05/53/76/229055376.db2.gz HRZDJWDGIPBTOB-OAHLLOKOSA-N 0 3 315.417 2.174 20 30 DEEDHN C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000420812361 229778617 /nfs/dbraw/zinc/77/86/17/229778617.db2.gz GDZJYWVNAAXBGV-XJKSGUPXSA-N 0 3 300.406 2.355 20 30 DEEDHN C#CCN(C)CCCNc1cc(COC)nc(C(C)(C)C)n1 ZINC000491155777 421195036 /nfs/dbraw/zinc/19/50/36/421195036.db2.gz URZFMYUMDITOSZ-UHFFFAOYSA-N 0 3 304.438 2.288 20 30 DEEDHN N#C[C@H]1CC[C@@H](COC(=O)C2CCCN(C3CC3)C2=O)CC1 ZINC001348490663 1151163489 /nfs/dbraw/zinc/16/34/89/1151163489.db2.gz IDIRRLZRERKZKR-VNHYZAJKSA-N 0 3 304.390 2.261 20 30 DEEDHN Cc1c(Cl)cnc(NCCCCN2CCN(C)CC2)c1C#N ZINC000542209711 421818384 /nfs/dbraw/zinc/81/83/84/421818384.db2.gz KFJICGSFGLXBRP-UHFFFAOYSA-N 0 3 321.856 2.355 20 30 DEEDHN CN(C)CCn1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000540884015 421770786 /nfs/dbraw/zinc/77/07/86/421770786.db2.gz MGWKJFAOALWYJH-UHFFFAOYSA-N 0 3 317.780 2.222 20 30 DEEDHN Cc1cc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)ncc1C#N ZINC000603113547 422445200 /nfs/dbraw/zinc/44/52/00/422445200.db2.gz POOUAIHQOABFPZ-CYBMUJFWSA-N 0 3 315.421 2.456 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000101822425 649859272 /nfs/dbraw/zinc/85/92/72/649859272.db2.gz JOZYAUJOHUETII-UHFFFAOYSA-N 0 3 311.307 2.384 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)nc(C)n1 ZINC000041561830 424808902 /nfs/dbraw/zinc/80/89/02/424808902.db2.gz NIRDRNKMLZCGHA-CQSZACIVSA-N 0 3 320.352 2.468 20 30 DEEDHN CSc1ccc([C@H](CNc2cc(C#N)ncn2)N(C)C)cc1 ZINC000549281969 424873743 /nfs/dbraw/zinc/87/37/43/424873743.db2.gz DLCAUYIBBHOWFP-HNNXBMFYSA-N 0 3 313.430 2.785 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000649324177 424993219 /nfs/dbraw/zinc/99/32/19/424993219.db2.gz NKNORDSHOYWWIY-CHWSQXEVSA-N 0 3 322.371 2.046 20 30 DEEDHN N#Cc1cc(N[C@@H]2CCN(C3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000443436000 425044233 /nfs/dbraw/zinc/04/42/33/425044233.db2.gz ZOSQZUQQOTZCST-GFCCVEGCSA-N 0 3 323.356 2.663 20 30 DEEDHN C=CCNC(=O)CN1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000649680847 425062993 /nfs/dbraw/zinc/06/29/93/425062993.db2.gz AUUCLPUFUPTDNL-YESZJQIVSA-N 0 3 315.461 2.272 20 30 DEEDHN C=CCNC(=O)CN1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000649680844 425063039 /nfs/dbraw/zinc/06/30/39/425063039.db2.gz AUUCLPUFUPTDNL-BBWFWOEESA-N 0 3 315.461 2.272 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(C)ccc1OC ZINC000650077167 425117979 /nfs/dbraw/zinc/11/79/79/425117979.db2.gz NLBNPUOHLRWDOU-HIFRSBDPSA-N 0 3 304.390 2.265 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649780956 425079010 /nfs/dbraw/zinc/07/90/10/425079010.db2.gz KVWVYIVFBAMCFC-CFVMTHIKSA-N 0 3 305.422 2.385 20 30 DEEDHN C=CCOCCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000660572854 425165270 /nfs/dbraw/zinc/16/52/70/425165270.db2.gz VUIXAFCZIDZVSJ-QGZVFWFLSA-N 0 3 319.449 2.490 20 30 DEEDHN C=CCCn1cc(CNC[C@H](C)N(C)Cc2ccccc2)nn1 ZINC000657358530 425315681 /nfs/dbraw/zinc/31/56/81/425315681.db2.gz XPFGTVGGUPZCNI-INIZCTEOSA-N 0 3 313.449 2.464 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661120640 425328883 /nfs/dbraw/zinc/32/88/83/425328883.db2.gz PZCZDMMYUJFHKF-ULQDDVLXSA-N 0 3 323.481 2.387 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)CO)CC1 ZINC000664017427 425290190 /nfs/dbraw/zinc/29/01/90/425290190.db2.gz WNFXJABRMLMEPA-DOTOQJQBSA-N 0 3 323.481 2.219 20 30 DEEDHN C=CCN(C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H](C)COC ZINC000661241943 425359205 /nfs/dbraw/zinc/35/92/05/425359205.db2.gz FDKOQKQVDDZIDD-LSDHHAIUSA-N 0 3 318.417 2.431 20 30 DEEDHN C=CCOc1ccc(CNC[C@H](OC)[C@H]2CCOC2)cc1OC ZINC000657545003 425361772 /nfs/dbraw/zinc/36/17/72/425361772.db2.gz RMYQCVSFJIBYCB-YJBOKZPZSA-N 0 3 321.417 2.401 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654553748 425380202 /nfs/dbraw/zinc/38/02/02/425380202.db2.gz CMKGGAOLCRZWJV-HOTGVXAUSA-N 0 3 323.481 2.483 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000664760094 425450392 /nfs/dbraw/zinc/45/03/92/425450392.db2.gz WSVUHBMNHOQIGE-ZACQAIPSSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658946566 425513124 /nfs/dbraw/zinc/51/31/24/425513124.db2.gz GPWONWLICNGRCC-IAGOWNOFSA-N 0 3 320.408 2.452 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661983740 425534104 /nfs/dbraw/zinc/53/41/04/425534104.db2.gz LIOVNLSZNJRAMG-RDJZCZTQSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN(CC(=O)NC[C@H]1Cc2ccccc2O1)C(C)(C)C ZINC000661756936 425494785 /nfs/dbraw/zinc/49/47/85/425494785.db2.gz YBPBDRHGLDPVFT-OAHLLOKOSA-N 0 3 302.418 2.393 20 30 DEEDHN CSC1(CNc2nnc(C)c(C)c2C#N)CCN(C)CC1 ZINC000357546453 269039818 /nfs/dbraw/zinc/03/98/18/269039818.db2.gz JFPBLFAXYDYDII-UHFFFAOYSA-N 0 3 305.451 2.204 20 30 DEEDHN CN(c1cncc(C#N)n1)C1CCN(Cc2ccccc2)CC1 ZINC000401338183 269111927 /nfs/dbraw/zinc/11/19/27/269111927.db2.gz QJBCFCFENQXOMJ-UHFFFAOYSA-N 0 3 307.401 2.449 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@H]2CCOC3(CCC3)C2)C(N)=O)cc1 ZINC000516635220 269366900 /nfs/dbraw/zinc/36/69/00/269366900.db2.gz UBQRWAHODWKBJW-GOEBONIOSA-N 0 3 313.401 2.024 20 30 DEEDHN C#CCN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CC1 ZINC000491395554 275379971 /nfs/dbraw/zinc/37/99/71/275379971.db2.gz TVYGGRGSPGLLTH-UHFFFAOYSA-N 0 3 321.490 2.155 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411784221 276919146 /nfs/dbraw/zinc/91/91/46/276919146.db2.gz GZFMPUOVYLLANC-VQHPVUNQSA-N 0 3 306.450 2.491 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429530649 277284974 /nfs/dbraw/zinc/28/49/74/277284974.db2.gz VHPKMLQGQOMYER-RBSFLKMASA-N 0 3 307.438 2.265 20 30 DEEDHN COC(=O)[C@@H]1CSCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000332236813 277367442 /nfs/dbraw/zinc/36/74/42/277367442.db2.gz RYEKBBZBNFNSHA-WFASDCNBSA-N 0 3 304.415 2.457 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000338234012 277773450 /nfs/dbraw/zinc/77/34/50/277773450.db2.gz SVUGJEZAJOINCT-JJXSEGSLSA-N 0 3 306.450 2.347 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368427441 277782729 /nfs/dbraw/zinc/78/27/29/277782729.db2.gz UZLZRCJKCDVAQN-IRXDYDNUSA-N 0 3 307.482 2.216 20 30 DEEDHN CC1(C)CN(CC(=O)N(CCC#N)CCC#N)[C@@H]2CCC[C@@H]21 ZINC000339710667 278328451 /nfs/dbraw/zinc/32/84/51/278328451.db2.gz IOLQKKMJXWRUMN-LSDHHAIUSA-N 0 3 302.422 2.153 20 30 DEEDHN Cc1c(C(=O)NCCN2CCN(C)C(C)(C)C2)cnn1C(C)C ZINC000330419755 533698821 /nfs/dbraw/zinc/69/88/21/533698821.db2.gz PNVJWJVYXQSVPT-UHFFFAOYSA-N 0 3 321.469 2.103 20 30 DEEDHN CO[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC001349821977 1151291739 /nfs/dbraw/zinc/29/17/39/1151291739.db2.gz CMZXYQQBUACLJB-CABCVRRESA-N 0 3 307.369 2.041 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCOc2ccccc2)C[C@H]1C ZINC001328284956 1148767202 /nfs/dbraw/zinc/76/72/02/1148767202.db2.gz PYBKLVLJMSKNIW-SJORKVTESA-N 0 3 314.429 2.448 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(COC)c2)[C@H]1C ZINC001088974943 782091698 /nfs/dbraw/zinc/09/16/98/782091698.db2.gz UVMIVDYHWVNMBV-PBHICJAKSA-N 0 3 302.418 2.141 20 30 DEEDHN C[C@H]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000574237735 326136017 /nfs/dbraw/zinc/13/60/17/326136017.db2.gz UTGDIIOCFKQGMX-UONOGXRCSA-N 0 3 321.446 2.143 20 30 DEEDHN C=C1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000533419496 331524462 /nfs/dbraw/zinc/52/44/62/331524462.db2.gz GCXWQKKIIOJFCK-UHFFFAOYSA-N 0 3 321.808 2.420 20 30 DEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc2c(c1)CCCC2 ZINC000564873930 331877525 /nfs/dbraw/zinc/87/75/25/331877525.db2.gz UWLATAXSSZLTRV-BEFAXECRSA-N 0 3 315.461 2.422 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1cc2ccccc2s1 ZINC000573339433 331965632 /nfs/dbraw/zinc/96/56/32/331965632.db2.gz VFGIZYUKGYKHLA-CQSZACIVSA-N 0 3 303.431 2.197 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc(C(=O)OC)nc2C#N)CC1 ZINC000564668976 332284289 /nfs/dbraw/zinc/28/42/89/332284289.db2.gz XMZIWUPSSQDXDO-UHFFFAOYSA-N 0 3 314.389 2.192 20 30 DEEDHN CCN1CCC[C@H]1CN(C)C(=O)NCCc1cccc(C#N)c1 ZINC000583355896 332348027 /nfs/dbraw/zinc/34/80/27/332348027.db2.gz APLTWBMPDNUNAC-KRWDZBQOSA-N 0 3 314.433 2.226 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000563007819 333039494 /nfs/dbraw/zinc/03/94/94/333039494.db2.gz NQHRKHHSOWNXPQ-USXIJHARSA-N 0 3 306.381 2.363 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCC(C2CC2)C2CC2)cc1 ZINC000387631305 333147641 /nfs/dbraw/zinc/14/76/41/333147641.db2.gz QFXUBHIZDYBMNU-UHFFFAOYSA-N 0 3 318.442 2.358 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000572835101 333658382 /nfs/dbraw/zinc/65/83/82/333658382.db2.gz NNHQVROOJVKACZ-CXAGYDPISA-N 0 3 323.387 2.138 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000343761815 335191312 /nfs/dbraw/zinc/19/13/12/335191312.db2.gz IDJOFHAQOCQOOD-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(-n2cccn2)cc1 ZINC000526135390 336230411 /nfs/dbraw/zinc/23/04/11/336230411.db2.gz VHWZQVSCMJILDR-CQSZACIVSA-N 0 3 323.400 2.085 20 30 DEEDHN CN(CCN1CCCC1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000103118704 336237360 /nfs/dbraw/zinc/23/73/60/336237360.db2.gz OESMZZCKTCPVMF-RMKNXTFCSA-N 0 3 313.401 2.156 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C(C)(C)C)cc1 ZINC000582660639 337117288 /nfs/dbraw/zinc/11/72/88/337117288.db2.gz KXNIXPASZSURMY-QGZVFWFLSA-N 0 3 303.450 2.280 20 30 DEEDHN Cc1ncsc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000514667525 337147711 /nfs/dbraw/zinc/14/77/11/337147711.db2.gz CJFZUDXXBRDAOE-AWEZNQCLSA-N 0 3 317.414 2.047 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1C#N ZINC000583185313 337260209 /nfs/dbraw/zinc/26/02/09/337260209.db2.gz COWPXPLSZAGNOZ-FVQBIDKESA-N 0 3 314.385 2.248 20 30 DEEDHN C=CCC[C@H]1NC(=O)N([C@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000583743149 337328290 /nfs/dbraw/zinc/32/82/90/337328290.db2.gz MLNJNZIHHCFWRU-JKSUJKDBSA-N 0 3 313.401 2.148 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000584508337 337352525 /nfs/dbraw/zinc/35/25/25/337352525.db2.gz UPXZYISQSRLOIF-YNEHKIRRSA-N 0 3 319.430 2.128 20 30 DEEDHN N#CC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057908190 337867196 /nfs/dbraw/zinc/86/71/96/337867196.db2.gz FNADALYFQDPASH-UHFFFAOYSA-N 0 3 302.334 2.159 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1nc(CC)c(C)s1 ZINC000515127692 337979817 /nfs/dbraw/zinc/97/98/17/337979817.db2.gz BVNKIUIVCIHVLQ-OLZOCXBDSA-N 0 3 309.435 2.276 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CO[C@H](C)C1)C(C)C ZINC000515349178 337986618 /nfs/dbraw/zinc/98/66/18/337986618.db2.gz YSQXOCMWVBEDMG-BZUAXINKSA-N 0 3 309.454 2.162 20 30 DEEDHN C=CC[C@H](CO)CNCc1ccnn1-c1ccccc1OC ZINC000430035085 338094073 /nfs/dbraw/zinc/09/40/73/338094073.db2.gz PBIFBMGQXRUWOF-AWEZNQCLSA-N 0 3 301.390 2.155 20 30 DEEDHN COC(=O)c1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c[nH]1 ZINC000331180331 533716816 /nfs/dbraw/zinc/71/68/16/533716816.db2.gz GWJQQYUTWUEOQY-VXGBXAGGSA-N 0 3 307.394 2.226 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(C)c2C(=O)OC)CC1 ZINC000490590169 339835173 /nfs/dbraw/zinc/83/51/73/339835173.db2.gz PWBQRRRDHOYXAV-UHFFFAOYSA-N 0 3 314.385 2.065 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCOCCC#N)C1 ZINC000496212103 340000709 /nfs/dbraw/zinc/00/07/09/340000709.db2.gz JDOPFYWHGLKCRY-INIZCTEOSA-N 0 3 311.426 2.153 20 30 DEEDHN CC(C#N)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000496435788 340005376 /nfs/dbraw/zinc/00/53/76/340005376.db2.gz JZBISLXOOAXECE-YPMHNXCESA-N 0 3 309.410 2.346 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496759069 340012226 /nfs/dbraw/zinc/01/22/26/340012226.db2.gz ZCFMFOXLKQQOQY-AAVRWANBSA-N 0 3 321.421 2.298 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]Cc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000544569482 341086191 /nfs/dbraw/zinc/08/61/91/341086191.db2.gz GZNURTOJDILFTK-PXAZEXFGSA-N 0 3 301.390 2.186 20 30 DEEDHN C[C@H](C#N)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078598100 341244756 /nfs/dbraw/zinc/24/47/56/341244756.db2.gz ANZVLMIIQFGGKA-HIFRSBDPSA-N 0 3 303.381 2.314 20 30 DEEDHN CCN(Cc1ccc(C(=O)N[C@]2(C#N)CCOC2)cc1)C1CC1 ZINC000548467189 341262122 /nfs/dbraw/zinc/26/21/22/341262122.db2.gz VSPUTSZJVNXGRQ-SFHVURJKSA-N 0 3 313.401 2.083 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(C)C ZINC000348778544 341957446 /nfs/dbraw/zinc/95/74/46/341957446.db2.gz ANHXUKZEOQLNEQ-QAPCUYQASA-N 0 3 319.449 2.406 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC001378419604 1152322991 /nfs/dbraw/zinc/32/29/91/1152322991.db2.gz YJXKKCCHARTXSE-GOEBONIOSA-N 0 3 313.873 2.098 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)[C@H]1C ZINC001089050063 782136329 /nfs/dbraw/zinc/13/63/29/782136329.db2.gz ORMFBQUWRDEJMI-YPMHNXCESA-N 0 3 300.362 2.048 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C1CN(C[C@@H]2CCCCO2)C1 ZINC001329985426 1149027238 /nfs/dbraw/zinc/02/72/38/1149027238.db2.gz UGACNPCKWWJBEQ-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)Cn1ccnc1C)C(C)(C)C ZINC001369548290 1149034963 /nfs/dbraw/zinc/03/49/63/1149034963.db2.gz BSOONIQWYJIYQZ-CYBMUJFWSA-N 0 3 312.845 2.065 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001378757212 1152437032 /nfs/dbraw/zinc/43/70/32/1152437032.db2.gz PJYLEKKKWMFFQA-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN C[C@H](NCCOCCC#N)c1cccc(N2CCOC2=O)c1 ZINC000293717641 533859837 /nfs/dbraw/zinc/85/98/37/533859837.db2.gz FIIVCWYBRSUWHF-ZDUSSCGKSA-N 0 3 303.362 2.224 20 30 DEEDHN Cc1nc(NCCN2CCN(C)C(C)(C)C2)c(Cl)cc1C#N ZINC000292356853 534490844 /nfs/dbraw/zinc/49/08/44/534490844.db2.gz CKOOMMOBCIEFGZ-UHFFFAOYSA-N 0 3 321.856 2.353 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001358794753 1152486413 /nfs/dbraw/zinc/48/64/13/1152486413.db2.gz LWOIDNIUJWWIQG-GOSISDBHSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000451595606 534608791 /nfs/dbraw/zinc/60/87/91/534608791.db2.gz DMXYLBUPRLFPRB-OIISXLGYSA-N 0 3 302.418 2.414 20 30 DEEDHN N#CCCN(C(=O)CN[C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000373815372 534630367 /nfs/dbraw/zinc/63/03/67/534630367.db2.gz NRZWOOTVYIPNST-AEFFLSMTSA-N 0 3 313.401 2.090 20 30 DEEDHN CN(CCN1CCCC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000103117397 522822724 /nfs/dbraw/zinc/82/27/24/522822724.db2.gz CMMUNUMFDDVDGQ-UHFFFAOYSA-N 0 3 317.458 2.346 20 30 DEEDHN CNC(=O)CCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000337993399 524063082 /nfs/dbraw/zinc/06/30/82/524063082.db2.gz MWVFLMFNUANODU-UHFFFAOYSA-N 0 3 311.332 2.118 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000449940374 534881809 /nfs/dbraw/zinc/88/18/09/534881809.db2.gz MFFLZUIJLHKNQD-ZBFHGGJFSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN(CCOC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000191128888 526288047 /nfs/dbraw/zinc/28/80/47/526288047.db2.gz DXNGXXPIRQOICJ-QGZVFWFLSA-N 0 3 319.449 2.442 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)NCCN(C)CCOC ZINC000339366372 526370767 /nfs/dbraw/zinc/37/07/67/526370767.db2.gz PJWGBNJACGCTPU-UHFFFAOYSA-N 0 3 311.451 2.024 20 30 DEEDHN C=CCN1CC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000376649410 526412545 /nfs/dbraw/zinc/41/25/45/526412545.db2.gz TYGCATGPIYBNAX-MRXNPFEDSA-N 0 3 313.401 2.101 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CCOc3ccccc32)C1=O ZINC000369066885 526468362 /nfs/dbraw/zinc/46/83/62/526468362.db2.gz SZDSPBQHLMOMFY-GOEBONIOSA-N 0 3 300.402 2.271 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)CCC(C)C)CC1 ZINC000339524984 526579782 /nfs/dbraw/zinc/57/97/82/526579782.db2.gz PBWINVDGYMAVOL-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(O)c(OC)c2)CC1 ZINC000294502022 526583355 /nfs/dbraw/zinc/58/33/55/526583355.db2.gz FQDKJVCUNKJOMD-UHFFFAOYSA-N 0 3 318.417 2.100 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCOC(C)(C)C2)CC1 ZINC000369419589 526585776 /nfs/dbraw/zinc/58/57/76/526585776.db2.gz JXMKNBXVHIJNCA-UHFFFAOYSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000413378779 526596759 /nfs/dbraw/zinc/59/67/59/526596759.db2.gz GCKHHXQQYBGVLU-ZDUSSCGKSA-N 0 3 310.438 2.121 20 30 DEEDHN N#Cc1ccc(OCCN2CCOC3(CCOCC3)CC2)cc1 ZINC000364265984 526674937 /nfs/dbraw/zinc/67/49/37/526674937.db2.gz UVZYCPNJYDQQJR-UHFFFAOYSA-N 0 3 316.401 2.209 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000189810063 526687204 /nfs/dbraw/zinc/68/72/04/526687204.db2.gz URQAOOPCVZGCJW-KGLIPLIRSA-N 0 3 300.468 2.135 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000294592998 526740298 /nfs/dbraw/zinc/74/02/98/526740298.db2.gz YSWZBXWHKMXHDJ-INIZCTEOSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCOCCN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000293773723 526770406 /nfs/dbraw/zinc/77/04/06/526770406.db2.gz LDYILQHQUBIJTB-OAHLLOKOSA-N 0 3 303.406 2.243 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Cl)cc1OC ZINC000296600684 526817519 /nfs/dbraw/zinc/81/75/19/526817519.db2.gz JVCMZOHCHVEVGZ-UHFFFAOYSA-N 0 3 323.824 2.103 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc2[nH]c(C)cc2c1 ZINC000296769637 526817788 /nfs/dbraw/zinc/81/77/88/526817788.db2.gz GIVGMWQRCKUCAY-UHFFFAOYSA-N 0 3 312.417 2.231 20 30 DEEDHN C=CCOc1ccccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422912922 526951140 /nfs/dbraw/zinc/95/11/40/526951140.db2.gz XKDYRZKAODZYJR-ROUUACIJSA-N 0 3 302.418 2.108 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000341422147 526964095 /nfs/dbraw/zinc/96/40/95/526964095.db2.gz SAIKVAAZUXTAGD-GJZGRUSLSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000294807722 527080299 /nfs/dbraw/zinc/08/02/99/527080299.db2.gz BVGUZTUNUNJLOI-DLBZAZTESA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCCCCCN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000369482225 527132802 /nfs/dbraw/zinc/13/28/02/527132802.db2.gz ACUOCQVBSUTGRN-AWEZNQCLSA-N 0 3 306.410 2.448 20 30 DEEDHN C#CC[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292537743 527174625 /nfs/dbraw/zinc/17/46/25/527174625.db2.gz JHYGOMCAZYWBJL-PKOBYXMFSA-N 0 3 311.429 2.488 20 30 DEEDHN C=CC[C@H](CO)CNCc1c(C(C)C)nc2sc(C)nn21 ZINC000341279395 527186386 /nfs/dbraw/zinc/18/63/86/527186386.db2.gz CCYQWOYHIWXNME-LBPRGKRZSA-N 0 3 308.451 2.497 20 30 DEEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)C(C)C ZINC000297531180 527384820 /nfs/dbraw/zinc/38/48/20/527384820.db2.gz AMAVTYCUQUINST-HNNXBMFYSA-N 0 3 307.463 2.479 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(c2cccc(OCCN(C)C)c2)C1=O ZINC000414394762 527462604 /nfs/dbraw/zinc/46/26/04/527462604.db2.gz PQYUDIXWMANGCI-HNNXBMFYSA-N 0 3 317.389 2.018 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnccc1N)C(C)C ZINC000188082720 527646481 /nfs/dbraw/zinc/64/64/81/527646481.db2.gz WOKKIOOOCNVTDN-INIZCTEOSA-N 0 3 302.422 2.092 20 30 DEEDHN CCC[C@H](C)C(=O)NCCNCc1ccc(C#N)c(OC)c1 ZINC000292604832 528014012 /nfs/dbraw/zinc/01/40/12/528014012.db2.gz HPVQMTNDNYWELJ-ZDUSSCGKSA-N 0 3 303.406 2.209 20 30 DEEDHN CC(C)C[C@@]1(CO)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000191641859 528436890 /nfs/dbraw/zinc/43/68/90/528436890.db2.gz STCPSHWOWDVNCT-GOSISDBHSA-N 0 3 321.465 2.202 20 30 DEEDHN CCOCCO[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000269695645 528838912 /nfs/dbraw/zinc/83/89/12/528838912.db2.gz OPAJAWWVLPQGJR-KRWDZBQOSA-N 0 3 304.390 2.216 20 30 DEEDHN CCN1CCC(NC(=O)Nc2ccccc2C[S@](C)=O)CC1 ZINC000330875845 528959352 /nfs/dbraw/zinc/95/93/52/528959352.db2.gz JKFPLWHCPXRHPV-QFIPXVFZSA-N 0 3 323.462 2.375 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000375459602 536841385 /nfs/dbraw/zinc/84/13/85/536841385.db2.gz VKALTSGQKUVNAX-YOEHRIQHSA-N 0 3 302.349 2.472 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC1(O)CCC1 ZINC001369744741 1149133566 /nfs/dbraw/zinc/13/35/66/1149133566.db2.gz FBKVNIIOAMXVEO-KBPBESRZSA-N 0 3 314.857 2.403 20 30 DEEDHN C#CCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000835066553 649874504 /nfs/dbraw/zinc/87/45/04/649874504.db2.gz YDJVRSKLFJRHCR-MWLCHTKSSA-N 0 3 322.723 2.165 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001327594665 1148594755 /nfs/dbraw/zinc/59/47/55/1148594755.db2.gz GXSNEFNENADYBR-QFBILLFUSA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1c(C)ncn1C ZINC001369754601 1149146127 /nfs/dbraw/zinc/14/61/27/1149146127.db2.gz QPWLJIBSWSJZBU-JSGCOSHPSA-N 0 3 324.856 2.454 20 30 DEEDHN Cc1cc(CN[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)sn1 ZINC001327843939 1148657257 /nfs/dbraw/zinc/65/72/57/1148657257.db2.gz PQDUVDBNNXBLNI-SWLSCSKDSA-N 0 3 305.447 2.047 20 30 DEEDHN Cc1cccnc1CN[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C ZINC001327859380 1148660556 /nfs/dbraw/zinc/66/05/56/1148660556.db2.gz AXTSYTBJWCBSLA-WBVHZDCISA-N 0 3 313.445 2.376 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001327861030 1148661830 /nfs/dbraw/zinc/66/18/30/1148661830.db2.gz MUSMRARMSBTIJD-XJKSGUPXSA-N 0 3 318.465 2.267 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(OC)nc2)C1 ZINC001327869754 1148663790 /nfs/dbraw/zinc/66/37/90/1148663790.db2.gz YKVUJKSTTADKHT-ZBFHGGJFSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ncsc2C(C)C)C1 ZINC001027645698 634379195 /nfs/dbraw/zinc/37/91/95/634379195.db2.gz LPXNKCNGBBMJKH-ZDUSSCGKSA-N 0 3 305.447 2.436 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CC2(COC)CC2)C1 ZINC001368814966 1148685112 /nfs/dbraw/zinc/68/51/12/1148685112.db2.gz WSMSZPROYXCSOO-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CC[N@H+](CCCn1ccnc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903650 608578666 /nfs/dbraw/zinc/57/86/66/608578666.db2.gz GJECDCAWDPIZLZ-UHFFFAOYSA-N 0 3 323.404 2.142 20 30 DEEDHN C=CC[N@@H+](CCCn1ccnc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903650 608578668 /nfs/dbraw/zinc/57/86/68/608578668.db2.gz GJECDCAWDPIZLZ-UHFFFAOYSA-N 0 3 323.404 2.142 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001023473051 625283730 /nfs/dbraw/zinc/28/37/30/625283730.db2.gz GRXNGUWHMOUPJO-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001023479736 625288552 /nfs/dbraw/zinc/28/85/52/625288552.db2.gz OFXSYZAMHNCXAM-CYBMUJFWSA-N 0 3 306.356 2.348 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001025233077 625294777 /nfs/dbraw/zinc/29/47/77/625294777.db2.gz UAHGFNCTWAXBDG-LSDHHAIUSA-N 0 3 302.422 2.363 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001023522006 625307609 /nfs/dbraw/zinc/30/76/09/625307609.db2.gz QJNKEQMMZJGQBF-LBPRGKRZSA-N 0 3 301.415 2.304 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001025258806 625307879 /nfs/dbraw/zinc/30/78/79/625307879.db2.gz JBAWRMSNAFIVJU-SJORKVTESA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnc3ccsc3c2)C1 ZINC001023529579 625311416 /nfs/dbraw/zinc/31/14/16/625311416.db2.gz HDLDZFNHMMTUAI-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccnc1C ZINC001025261646 625313317 /nfs/dbraw/zinc/31/33/17/625313317.db2.gz AMELDSXVFCGBDP-QZTJIDSGSA-N 0 3 311.429 2.482 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cc(F)ccc2OC)C1 ZINC000972592194 625326856 /nfs/dbraw/zinc/32/68/56/625326856.db2.gz KBXRBSRMDRRMNP-HNNXBMFYSA-N 0 3 306.381 2.096 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001023573357 625330478 /nfs/dbraw/zinc/33/04/78/625330478.db2.gz XRVSQKYGIHPEMM-CYBMUJFWSA-N 0 3 306.356 2.348 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C[C@@H]1C ZINC000947569150 625334253 /nfs/dbraw/zinc/33/42/53/625334253.db2.gz SSFQJJHGYIMOAG-DZGCQCFKSA-N 0 3 320.383 2.418 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)n2)C1 ZINC000972600812 625341192 /nfs/dbraw/zinc/34/11/92/625341192.db2.gz DLXBAJCMZRYUQV-LLVKDONJSA-N 0 3 313.323 2.433 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2scnc2C2CC2)C1 ZINC001023637050 625366705 /nfs/dbraw/zinc/36/67/05/625366705.db2.gz 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/nfs/dbraw/zinc/42/38/47/625423847.db2.gz OLUIQYIRBGKZBG-HUUCEWRRSA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(OC)ns2)C1 ZINC001025423375 625421821 /nfs/dbraw/zinc/42/18/21/625421821.db2.gz RPFWHZSLZUBIRO-OLZOCXBDSA-N 0 3 321.446 2.005 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc3ccccc3n2)C1 ZINC001025439851 625436890 /nfs/dbraw/zinc/43/68/90/625436890.db2.gz NYXASYZZLQZQCE-GJZGRUSLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c2CCCC3)C1 ZINC001025444394 625439426 /nfs/dbraw/zinc/43/94/26/625439426.db2.gz YRUWHDZORVMTQO-CVEARBPZSA-N 0 3 313.445 2.288 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-n3cccc3)ccn2)C1 ZINC000972691860 625442888 /nfs/dbraw/zinc/44/28/88/625442888.db2.gz WXQSIDMUNYRXTN-MRXNPFEDSA-N 0 3 310.401 2.205 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC001025449818 625445691 /nfs/dbraw/zinc/44/56/91/625445691.db2.gz YTWQBJLSNGDNTC-DZGCQCFKSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC001025449821 625445911 /nfs/dbraw/zinc/44/59/11/625445911.db2.gz YTWQBJLSNGDNTC-ZFWWWQNUSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459801 625453249 /nfs/dbraw/zinc/45/32/49/625453249.db2.gz SQOQZIRHGKJIKA-HUUCEWRRSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001025480331 625473653 /nfs/dbraw/zinc/47/36/53/625473653.db2.gz SZYHSDZNDNMYEC-RDJZCZTQSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001025501803 625490846 /nfs/dbraw/zinc/49/08/46/625490846.db2.gz KISKAABCRYNQSV-HUUCEWRRSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2sc(CC)nc2C)C1 ZINC001025555436 625543614 /nfs/dbraw/zinc/54/36/14/625543614.db2.gz NGHGTAKQNYJBRU-JSGCOSHPSA-N 0 3 319.474 2.477 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001025558134 625547296 /nfs/dbraw/zinc/54/72/96/625547296.db2.gz LOLUCPYFXCMBAF-LSDHHAIUSA-N 0 3 324.428 2.335 20 30 DEEDHN C[C@]1(NC(=O)c2cc(C#N)ccc2Cl)CN2CCC1CC2 ZINC000892771835 625575701 /nfs/dbraw/zinc/57/57/01/625575701.db2.gz VMRGQUUWIVCGQV-INIZCTEOSA-N 0 3 303.793 2.426 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C[C@@H]1C ZINC000947369049 622599817 /nfs/dbraw/zinc/59/98/17/622599817.db2.gz FQYBSCUNTIHNQZ-WMLDXEAASA-N 0 3 314.404 2.460 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC000969170852 622603218 /nfs/dbraw/zinc/60/32/18/622603218.db2.gz QKNRVWVVJCXTHH-IAGOWNOFSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2sc(C)nc2CC(C)C)C1 ZINC000969223356 622632124 /nfs/dbraw/zinc/63/21/24/622632124.db2.gz QYNVZZCQWWKXBC-CYBMUJFWSA-N 0 3 305.447 2.087 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnn(C(F)F)c2)C1 ZINC001025578674 625582317 /nfs/dbraw/zinc/58/23/17/625582317.db2.gz JKJAJNUKQBUUOC-QWHCGFSZSA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnn(CCC)c2C)C1 ZINC001025578967 625583910 /nfs/dbraw/zinc/58/39/10/625583910.db2.gz ZMXHNPBWQWEQES-GOEBONIOSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CC[C@@H]1CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000890557928 622660002 /nfs/dbraw/zinc/66/00/02/622660002.db2.gz JEUFDKOQZGCUBE-GOSISDBHSA-N 0 3 313.445 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001020499280 622740672 /nfs/dbraw/zinc/74/06/72/622740672.db2.gz OGONBGHTDRGWLL-RBSFLKMASA-N 0 3 319.836 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC001020508202 622750970 /nfs/dbraw/zinc/75/09/70/622750970.db2.gz OOJNLHKNPSXYQA-HBEIAFGSSA-N 0 3 322.840 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001020518064 622757025 /nfs/dbraw/zinc/75/70/25/622757025.db2.gz YNNJDAWFRGQITO-JOCQHMNTSA-N 0 3 309.797 2.002 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001020522907 622761180 /nfs/dbraw/zinc/76/11/80/622761180.db2.gz HYRROKXAWOXRTC-HAQNSBGRSA-N 0 3 314.763 2.497 20 30 DEEDHN COC(C)(C)[C@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000932367364 622777351 /nfs/dbraw/zinc/77/73/51/622777351.db2.gz LFFIQPRJHQEQBJ-AWEZNQCLSA-N 0 3 303.406 2.336 20 30 DEEDHN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2ccccc2)C1 ZINC000969463906 622784652 /nfs/dbraw/zinc/78/46/52/622784652.db2.gz YEWNZTDQOLIWFA-CYBMUJFWSA-N 0 3 308.385 2.137 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](N[C@@H](C)c3n[nH]c(CC)n3)C2)C1 ZINC001020562746 622855711 /nfs/dbraw/zinc/85/57/11/622855711.db2.gz NPRCWKZNRLBELU-AVGNSLFASA-N 0 3 317.437 2.021 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001026633394 625601237 /nfs/dbraw/zinc/60/12/37/625601237.db2.gz XWGLYVDVWOYFIE-LBPRGKRZSA-N 0 3 301.365 2.045 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3ccoc3C)CC2)C1 ZINC000949295328 622870685 /nfs/dbraw/zinc/87/06/85/622870685.db2.gz DFAHTQLNDZOVCC-UHFFFAOYSA-N 0 3 318.417 2.471 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)c1 ZINC001020567812 622874541 /nfs/dbraw/zinc/87/45/41/622874541.db2.gz UUIMWHKJVSTKAA-QAQDUYKDSA-N 0 3 323.371 2.253 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(CC=C(C)C)C1 ZINC000969692175 622886581 /nfs/dbraw/zinc/88/65/81/622886581.db2.gz KZWQRHPMFUVTKV-UAGQMJEPSA-N 0 3 306.450 2.370 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC000969701310 622889650 /nfs/dbraw/zinc/88/96/50/622889650.db2.gz VHJMFRXGENTVHY-LBPRGKRZSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC001020583179 622920660 /nfs/dbraw/zinc/92/06/60/622920660.db2.gz SRPKMSJMRPARTQ-YMCGHGCMSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(OCC)nc2)C1 ZINC000969788828 622921455 /nfs/dbraw/zinc/92/14/55/622921455.db2.gz LPTPQNLIHJXPKA-CYBMUJFWSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000969794534 622922128 /nfs/dbraw/zinc/92/21/28/622922128.db2.gz 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001020990766 623245319 /nfs/dbraw/zinc/24/53/19/623245319.db2.gz XDVRSMDTOYNLAU-DRZSPHRISA-N 0 3 322.840 2.068 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2oc(CCC)nc2C)C1 ZINC001027649514 634385735 /nfs/dbraw/zinc/38/57/35/634385735.db2.gz NFXQNVJFAJBCRT-CQSZACIVSA-N 0 3 303.406 2.105 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000970497668 623481320 /nfs/dbraw/zinc/48/13/20/623481320.db2.gz UHZGMSVHQIVUCT-QAPCUYQASA-N 0 3 310.441 2.251 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC000970508227 623487956 /nfs/dbraw/zinc/48/79/56/623487956.db2.gz FYEYYPJTYSGJCC-INIZCTEOSA-N 0 3 323.440 2.136 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)nn(CC)c2C)C1 ZINC000970596548 623565847 /nfs/dbraw/zinc/56/58/47/623565847.db2.gz LXTXNBYUTIQBJA-LBPRGKRZSA-N 0 3 304.438 2.146 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000970690613 623622025 /nfs/dbraw/zinc/62/20/25/623622025.db2.gz SKWCMMGXZDIOSO-GFCCVEGCSA-N 0 3 312.417 2.498 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c3ncccc23)C1 ZINC001025623360 625668121 /nfs/dbraw/zinc/66/81/21/625668121.db2.gz BNHHVKBBZUUZTR-CABCVRRESA-N 0 3 324.428 2.417 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOC23CCCC3)CC1 ZINC000892851582 625664849 /nfs/dbraw/zinc/66/48/49/625664849.db2.gz NOCXOILNVRSJCX-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001021529202 623707450 /nfs/dbraw/zinc/70/74/50/623707450.db2.gz LBDAALSNDJMIMX-NVXWUHKLSA-N 0 3 312.413 2.342 20 30 DEEDHN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001021529202 623707456 /nfs/dbraw/zinc/70/74/56/623707456.db2.gz LBDAALSNDJMIMX-NVXWUHKLSA-N 0 3 312.413 2.342 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)COC2CCCC2)C1 ZINC001021537393 623715588 /nfs/dbraw/zinc/71/55/88/623715588.db2.gz CBWSXSQMQNUAKX-WMZOPIPTSA-N 0 3 318.461 2.282 20 30 DEEDHN COc1ccc(CN(C)[C@H]2CCN(C(=O)C3CC3)C2)cc1C#N 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C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(OC)c2)C1 ZINC001021722263 624005039 /nfs/dbraw/zinc/00/50/39/624005039.db2.gz MYRYUOQEGVKRLU-AEFFLSMTSA-N 0 3 312.413 2.255 20 30 DEEDHN C#CCC1(NCC(=O)Nc2cc(C(C)(C)C)nn2C)CCC1 ZINC000933297726 624157870 /nfs/dbraw/zinc/15/78/70/624157870.db2.gz SBPFAXDGBFBHSP-UHFFFAOYSA-N 0 3 302.422 2.192 20 30 DEEDHN C#CCC1(NCCS(=O)(=O)c2cccc(OC)c2)CCC1 ZINC000933302838 624161497 /nfs/dbraw/zinc/16/14/97/624161497.db2.gz YJGVSNHGQMYSBN-UHFFFAOYSA-N 0 3 307.415 2.005 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC001022164136 624488698 /nfs/dbraw/zinc/48/86/98/624488698.db2.gz FLBZYCMNTXPMLB-TXEJJXNPSA-N 0 3 322.792 2.061 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OCC=C)cc2)C[C@@H]1C ZINC000947460664 624473721 /nfs/dbraw/zinc/47/37/21/624473721.db2.gz WXYYTRZZYQSFMQ-RDJZCZTQSA-N 0 3 312.413 2.467 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C3CC3)nn2CC)C1 ZINC000971757230 624536350 /nfs/dbraw/zinc/53/63/50/624536350.db2.gz VTSBIOWXBNMRLC-CQSZACIVSA-N 0 3 302.422 2.113 20 30 DEEDHN C#C[C@H](NC1CC(CNC(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000926211148 624548786 /nfs/dbraw/zinc/54/87/86/624548786.db2.gz RTAJKTQPWUMGCN-WUCCLRPBSA-N 0 3 308.422 2.060 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001022361393 624615913 /nfs/dbraw/zinc/61/59/13/624615913.db2.gz TZROMOXSYBDQAW-TXEJJXNPSA-N 0 3 318.808 2.474 20 30 DEEDHN CCN(CCC(=O)NC)Cc1ccc(C#N)cc1OC(F)F ZINC000933867486 624641133 /nfs/dbraw/zinc/64/11/33/624641133.db2.gz LGXSHKIDOROWCZ-UHFFFAOYSA-N 0 3 311.332 2.118 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001022422518 624648893 /nfs/dbraw/zinc/64/88/93/624648893.db2.gz MNWFVRBBBPSLAP-LJISPDSOSA-N 0 3 312.841 2.038 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000971884483 624685402 /nfs/dbraw/zinc/68/54/02/624685402.db2.gz GEVSTAGYSPBGTJ-CQSZACIVSA-N 0 3 312.417 2.214 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001022523420 624708107 /nfs/dbraw/zinc/70/81/07/624708107.db2.gz GMEQFCQMAKQNRT-IJEWVQPXSA-N 0 3 320.820 2.290 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](N[C@H](C)c3cnccn3)C2)cc1 ZINC001022526328 624709622 /nfs/dbraw/zinc/70/96/22/624709622.db2.gz DWYCYZPDNJHZJA-XYPHTWIQSA-N 0 3 320.396 2.070 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC001027663032 634403873 /nfs/dbraw/zinc/40/38/73/634403873.db2.gz UWEVASLPNKVPKR-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C[C@@H](Cc1cccnc1)NCC(=O)Nc1sccc1C#N ZINC000934236159 624796105 /nfs/dbraw/zinc/79/61/05/624796105.db2.gz MBFGSZCWTXLGIF-NSHDSACASA-N 0 3 300.387 2.174 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncccc2OCCC)C1 ZINC001022648451 624796304 /nfs/dbraw/zinc/79/63/04/624796304.db2.gz TYODPDDOJBBJCI-BETUJISGSA-N 0 3 323.824 2.473 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C[C@H]2C[C@@H]2C)C1 ZINC001022655966 624798737 /nfs/dbraw/zinc/79/87/37/624798737.db2.gz FDYKUPGALLGGEO-ZDDJMSTPSA-N 0 3 301.228 2.178 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(F)ccc(F)c2OC)C1 ZINC000972063673 624812793 /nfs/dbraw/zinc/81/27/93/624812793.db2.gz LHEQGYWNPUYHTM-NSHDSACASA-N 0 3 310.344 2.306 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cccc(OC)n3)C2)C1 ZINC001022674756 624813454 /nfs/dbraw/zinc/81/34/54/624813454.db2.gz HWTAUPOBHCLSBJ-GASCZTMLSA-N 0 3 315.417 2.183 20 30 DEEDHN C=CCCSCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892238835 624862625 /nfs/dbraw/zinc/86/26/25/624862625.db2.gz KGSZCFXKAINIFJ-MRXNPFEDSA-N 0 3 319.474 2.309 20 30 DEEDHN COc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000051651263 624879331 /nfs/dbraw/zinc/87/93/31/624879331.db2.gz IIRNJKXQHLVIQL-AWEZNQCLSA-N 0 3 300.358 2.005 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC000972246611 624902333 /nfs/dbraw/zinc/90/23/33/624902333.db2.gz PUQJDJRVERRBPE-WBVHZDCISA-N 0 3 304.438 2.018 20 30 DEEDHN CC(=O)N[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000048787652 624913990 /nfs/dbraw/zinc/91/39/90/624913990.db2.gz ZDVLJPWSUVUZLP-QWHCGFSZSA-N 0 3 305.403 2.323 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccnn2CCC)C1 ZINC000998843423 634422613 /nfs/dbraw/zinc/42/26/13/634422613.db2.gz LDPULPMWLYUZSP-UHFFFAOYSA-N 0 3 310.829 2.238 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001020332731 625059644 /nfs/dbraw/zinc/05/96/44/625059644.db2.gz RPBNKSGDKZKWEO-HDJSIYSDSA-N 0 3 307.825 2.349 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnccc2C(F)(F)F)C1 ZINC000972426800 625071010 /nfs/dbraw/zinc/07/10/10/625071010.db2.gz PPYZWDBQKBTBFA-NSHDSACASA-N 0 3 313.323 2.433 20 30 DEEDHN C=CC[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccncc1 ZINC000893040464 625071793 /nfs/dbraw/zinc/07/17/93/625071793.db2.gz GUKOVUJWBNWRTP-CVEARBPZSA-N 0 3 302.422 2.434 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001022922924 625100690 /nfs/dbraw/zinc/10/06/90/625100690.db2.gz PAROUCZWHBKSMZ-TXEJJXNPSA-N 0 3 310.829 2.146 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892530822 625105986 /nfs/dbraw/zinc/10/59/86/625105986.db2.gz YSEMOQKWPNMBJF-TZMCWYRMSA-N 0 3 304.390 2.103 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nncc3ccccc32)C[C@H]1C ZINC000947536542 625142806 /nfs/dbraw/zinc/14/28/06/625142806.db2.gz HGGVFPSICRMASK-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN N#Cc1cccc(OC2CCN(c3ccncc3CO)CC2)c1 ZINC000892333552 625147337 /nfs/dbraw/zinc/14/73/37/625147337.db2.gz MPIORJAOJMUREW-UHFFFAOYSA-N 0 3 309.369 2.493 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001023080576 625151315 /nfs/dbraw/zinc/15/13/15/625151315.db2.gz NPIUOVLTZGRZHC-BETUJISGSA-N 0 3 322.792 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001025040782 625157928 /nfs/dbraw/zinc/15/79/28/625157928.db2.gz LRXPAHIOLNAYNL-OCCSQVGLSA-N 0 3 319.453 2.357 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCNC(=O)C1CC1 ZINC000122094217 625158974 /nfs/dbraw/zinc/15/89/74/625158974.db2.gz RRHYZIVKUUIXJT-ZDUSSCGKSA-N 0 3 324.384 2.056 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C[C@H]1C ZINC000947543135 625171470 /nfs/dbraw/zinc/17/14/70/625171470.db2.gz PZFBSBLOWCRTJU-NEPJUHHUSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1C ZINC001025213389 625271237 /nfs/dbraw/zinc/27/12/37/625271237.db2.gz LVVLVVBTNPSGGJ-CVEARBPZSA-N 0 3 314.433 2.119 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001024443273 625779320 /nfs/dbraw/zinc/77/93/20/625779320.db2.gz GHMNVFTYUIPJQY-ULQDDVLXSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001024504689 625821955 /nfs/dbraw/zinc/82/19/55/625821955.db2.gz NPYIEAZAASUIPR-HNNXBMFYSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001024510352 625828395 /nfs/dbraw/zinc/82/83/95/625828395.db2.gz KDAMUJONUIIMDK-GFCCVEGCSA-N 0 3 322.359 2.022 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001024515796 625832227 /nfs/dbraw/zinc/83/22/27/625832227.db2.gz BUIURLDPZNVRLJ-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2ccoc2C)C1 ZINC001019976675 625857366 /nfs/dbraw/zinc/85/73/66/625857366.db2.gz SCRPFUKZJHMNJS-XYPYZODXSA-N 0 3 313.195 2.347 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC001024652227 625952760 /nfs/dbraw/zinc/95/27/60/625952760.db2.gz JUQOLENBJPKRKB-WMZOPIPTSA-N 0 3 313.445 2.343 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024669854 625961246 /nfs/dbraw/zinc/96/12/46/625961246.db2.gz JUQRSRMRWUKSOM-ARFHVFGLSA-N 0 3 300.402 2.377 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C2CC(NCc3cnoc3C)C2)cc1 ZINC000999209413 634519178 /nfs/dbraw/zinc/51/91/78/634519178.db2.gz JEZDGIIEDPJALL-UHFFFAOYSA-N 0 3 323.396 2.357 20 30 DEEDHN CCCC(=O)N1CCO[C@H]([C@@H](C)NCc2ccc(C#N)s2)C1 ZINC000979184789 634526345 /nfs/dbraw/zinc/52/63/45/634526345.db2.gz PIOYKXRTTSZABC-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)NCc2cncs2)C1 ZINC000979372299 634597169 /nfs/dbraw/zinc/59/71/69/634597169.db2.gz HBMJFMWZPUJODJ-TZMCWYRMSA-N 0 3 323.462 2.061 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccn3cncc3c2)C1 ZINC000999623804 634647892 /nfs/dbraw/zinc/64/78/92/634647892.db2.gz YDIXFVKJQSJGOI-CQSZACIVSA-N 0 3 318.808 2.281 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000999696487 634657275 /nfs/dbraw/zinc/65/72/75/634657275.db2.gz CTJPVGFWCQVHQV-UHFFFAOYSA-N 0 3 310.829 2.019 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cn(C)nc2Cl)C1 ZINC000999673394 634656624 /nfs/dbraw/zinc/65/66/24/634656624.db2.gz SMBFJVFSQAGEME-UHFFFAOYSA-N 0 3 317.220 2.019 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cn3ccccc3n2)C1 ZINC000999780492 634674373 /nfs/dbraw/zinc/67/43/73/634674373.db2.gz CIUJLDVNVPBNGZ-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999875970 634697620 /nfs/dbraw/zinc/69/76/20/634697620.db2.gz JPANXECZJRVTBS-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC000999933306 634710698 /nfs/dbraw/zinc/71/06/98/634710698.db2.gz GXEKXDCNRPITCY-RUXDESIVSA-N 0 3 312.841 2.135 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001000091282 634737895 /nfs/dbraw/zinc/73/78/95/634737895.db2.gz GQJAOQBCUQMETO-WMLDXEAASA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001000092457 634738187 /nfs/dbraw/zinc/73/81/87/634738187.db2.gz OQRGDCPNDRMYIS-WMLDXEAASA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3=CCOCC3)C[C@H]2C1 ZINC000979684826 634741797 /nfs/dbraw/zinc/74/17/97/634741797.db2.gz JPVUDPUSWYMQFY-HRCADAONSA-N 0 3 324.852 2.302 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccc(F)cn3)CC2)CC1 ZINC001000137075 634762700 /nfs/dbraw/zinc/76/27/00/634762700.db2.gz FSNYWYSTFAKQHG-UHFFFAOYSA-N 0 3 315.392 2.218 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc4c[nH]ccc-4n3)CC2)CC1 ZINC001000193021 634785225 /nfs/dbraw/zinc/78/52/25/634785225.db2.gz YLAZCVGXGADVTA-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN C[C@@H](OCc1ccccc1)C(=NNC1=NCCN1)C(F)(F)F ZINC000841661427 634796880 /nfs/dbraw/zinc/79/68/80/634796880.db2.gz XKTFQMAJRDIQQO-SNVBAGLBSA-N 0 3 314.311 2.059 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCc4cccnc43)CC2)CC1 ZINC001000242156 634819993 /nfs/dbraw/zinc/81/99/93/634819993.db2.gz BZTZZRVPTNUJHG-KRWDZBQOSA-N 0 3 323.440 2.105 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCOc1ccc(C)cc1 ZINC000836269109 650073147 /nfs/dbraw/zinc/07/31/47/650073147.db2.gz ZEROQSHJAHANIW-UHFFFAOYSA-N 0 3 317.433 2.018 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCC1Cc2ccccc2C1 ZINC000836374135 650085174 /nfs/dbraw/zinc/08/51/74/650085174.db2.gz MSLDSTSAVOBFBJ-UHFFFAOYSA-N 0 3 313.445 2.046 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001024709262 632938608 /nfs/dbraw/zinc/93/86/08/632938608.db2.gz FEXACTPMMSUDDX-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@H](C)C1 ZINC000945941736 633044446 /nfs/dbraw/zinc/04/44/46/633044446.db2.gz GAIVBIQFKWWPOP-SJLPKXTDSA-N 0 3 310.441 2.486 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026818330 633142219 /nfs/dbraw/zinc/14/22/19/633142219.db2.gz AMUYVDOJHXKBEE-HNNXBMFYSA-N 0 3 322.412 2.447 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001026865899 633228702 /nfs/dbraw/zinc/22/87/02/633228702.db2.gz OAUYNAUQBBZCIE-ZDUSSCGKSA-N 0 3 324.856 2.137 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3ccccc3n2)C(C)(C)C1 ZINC000974679364 633231686 /nfs/dbraw/zinc/23/16/86/633231686.db2.gz HGJKKDGABHWUBW-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN N#Cc1ccccc1CNC1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000996330359 633238565 /nfs/dbraw/zinc/23/85/65/633238565.db2.gz QWWCGRKXFFQHSC-OAHLLOKOSA-N 0 3 319.355 2.294 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(OC)c(F)c2)C(C)(C)C1 ZINC000974792383 633302121 /nfs/dbraw/zinc/30/21/21/633302121.db2.gz QSPKDBNUJNZTSL-INIZCTEOSA-N 0 3 320.408 2.389 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)cc2F)C(C)(C)C1 ZINC000974794464 633303119 /nfs/dbraw/zinc/30/31/19/633303119.db2.gz ZJKOUKHBCIGDFM-MRXNPFEDSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C(C)(C)C1 ZINC000974804288 633307811 /nfs/dbraw/zinc/30/78/11/633307811.db2.gz FPHWUSHXPZCSEW-RKVPGOIHSA-N 0 3 306.450 2.348 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C(C)(C)C1 ZINC000974798341 633311526 /nfs/dbraw/zinc/31/15/26/633311526.db2.gz PXQBBDMDPLMSNC-CQSZACIVSA-N 0 3 318.417 2.273 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)cc(C)nc2C)C(C)(C)C1 ZINC000974842444 633329622 /nfs/dbraw/zinc/32/96/22/633329622.db2.gz BCONGLASVVATJX-INIZCTEOSA-N 0 3 313.445 2.470 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C1 ZINC000974847251 633331375 /nfs/dbraw/zinc/33/13/75/633331375.db2.gz OQFQPCGGYOZKEE-OAGGEKHMSA-N 0 3 306.450 2.204 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)nc1 ZINC000734105956 633331665 /nfs/dbraw/zinc/33/16/65/633331665.db2.gz JXOFMHVVSHJOIS-SFHVURJKSA-N 0 3 319.408 2.457 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNCc2cnc(C)cn2)C1 ZINC001026988819 633333774 /nfs/dbraw/zinc/33/37/74/633333774.db2.gz QJIVNDBFEMDVGL-HNNXBMFYSA-N 0 3 316.449 2.325 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2occ3c2CCOC3)C(C)(C)C1 ZINC000974901839 633366465 /nfs/dbraw/zinc/36/64/65/633366465.db2.gz XJMPJDBNCVAINR-HNNXBMFYSA-N 0 3 318.417 2.369 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ncccc2OC)C(C)(C)C1 ZINC000974964331 633383501 /nfs/dbraw/zinc/38/35/01/633383501.db2.gz LGTRTLSDFBAYRT-MRXNPFEDSA-N 0 3 317.433 2.035 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(OC(C)C)c1 ZINC000124764280 633414677 /nfs/dbraw/zinc/41/46/77/633414677.db2.gz XEVFVDDFMCDBRO-OAHLLOKOSA-N 0 3 302.374 2.250 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000997141455 633624412 /nfs/dbraw/zinc/62/44/12/633624412.db2.gz BCJYDISWLJELBO-LLVKDONJSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3ccccc3nn2)CC1 ZINC000997247746 633684025 /nfs/dbraw/zinc/68/40/25/633684025.db2.gz ONKBNOJKKARLDD-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000997255050 633691011 /nfs/dbraw/zinc/69/10/11/633691011.db2.gz KHANUQRTCLLQJQ-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnn3ccccc23)CC1 ZINC000997351509 633707907 /nfs/dbraw/zinc/70/79/07/633707907.db2.gz ZHXHLABZFUYSRJ-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001027436149 633783020 /nfs/dbraw/zinc/78/30/20/633783020.db2.gz RGMBQHAOTIXQBK-SFHVURJKSA-N 0 3 309.413 2.417 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000946178763 633785540 /nfs/dbraw/zinc/78/55/40/633785540.db2.gz MQACEABHFOEXEM-BLLLJJGKSA-N 0 3 313.376 2.380 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027442346 633796115 /nfs/dbraw/zinc/79/61/15/633796115.db2.gz SBRHBHFMXIRFIW-HNNXBMFYSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)cc(OC)c2C)C1 ZINC001027479992 633864412 /nfs/dbraw/zinc/86/44/12/633864412.db2.gz VWOOJBSUYNIGIU-MRXNPFEDSA-N 0 3 314.429 2.482 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(F)cn2)CC1 ZINC000997552532 633865035 /nfs/dbraw/zinc/86/50/35/633865035.db2.gz GNQNZYOJNRSQSN-ZDUSSCGKSA-N 0 3 303.381 2.074 20 30 DEEDHN COC(=O)COc1ccccc1CN1CCC(CC#N)CC1 ZINC000893486632 633865031 /nfs/dbraw/zinc/86/50/31/633865031.db2.gz HBXYNKRMIYMRLB-UHFFFAOYSA-N 0 3 302.374 2.364 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC000997584867 633886903 /nfs/dbraw/zinc/88/69/03/633886903.db2.gz PWVUZUDBPPRUHJ-AWEZNQCLSA-N 0 3 316.449 2.072 20 30 DEEDHN Cc1nc(CNCC2CCN(C(=O)[C@H](C)C#N)CC2)sc1C ZINC000997616729 633900490 /nfs/dbraw/zinc/90/04/90/633900490.db2.gz FITPRZAKRJCHAJ-LLVKDONJSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000997619380 633901829 /nfs/dbraw/zinc/90/18/29/633901829.db2.gz BCJYDISWLJELBO-NSHDSACASA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccsc2COC)CC1 ZINC000997640594 633908496 /nfs/dbraw/zinc/90/84/96/633908496.db2.gz DXJLZMBBVCWERI-ZDUSSCGKSA-N 0 3 320.458 2.358 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C(C)(C)C1 ZINC000977315371 633922269 /nfs/dbraw/zinc/92/22/69/633922269.db2.gz IRGMKEMWZWGQMM-JYJNAYRXSA-N 0 3 306.450 2.370 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000997674659 633926476 /nfs/dbraw/zinc/92/64/76/633926476.db2.gz VLVKFOONVPKMFX-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cn(C(C)C)cn2)CC1 ZINC000997697225 633936771 /nfs/dbraw/zinc/93/67/71/633936771.db2.gz NKGSQQJKXBRDHV-HNNXBMFYSA-N 0 3 316.449 2.318 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC000977421956 633981172 /nfs/dbraw/zinc/98/11/72/633981172.db2.gz QAGGWOVUFNHOSU-MRXNPFEDSA-N 0 3 317.433 2.090 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC000997809997 633993870 /nfs/dbraw/zinc/99/38/70/633993870.db2.gz SUKMMMQDPMHKJH-ZDUSSCGKSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C(C)C)nn2C)CC1 ZINC000997817655 633997660 /nfs/dbraw/zinc/99/76/60/633997660.db2.gz OSXQYYQYANTDCM-AWEZNQCLSA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ncoc2C(C)C)CC1 ZINC000997823891 634000991 /nfs/dbraw/zinc/00/09/91/634000991.db2.gz IAXMVDJJQZLKEO-ZDUSSCGKSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(OC)cc2)C(C)(C)C1 ZINC000977520387 634016471 /nfs/dbraw/zinc/01/64/71/634016471.db2.gz MEWUMOIIZNBVHJ-KRWDZBQOSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccccc2N(C)C)CC1 ZINC000997883300 634019389 /nfs/dbraw/zinc/01/93/89/634019389.db2.gz RSKUVVLMWTVELV-HNNXBMFYSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000977547328 634041702 /nfs/dbraw/zinc/04/17/02/634041702.db2.gz QYICCXNWNSQRJT-KRWDZBQOSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(C)nc2C(C)C)C(C)(C)C1 ZINC000977594183 634054990 /nfs/dbraw/zinc/05/49/90/634054990.db2.gz YQMLEWPKAHMICJ-HNNXBMFYSA-N 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C=CCN1CCCC2(CN(C(=O)c3cc(C)nc(OC)c3)C2)C1 ZINC000981967938 635777086 /nfs/dbraw/zinc/77/70/86/635777086.db2.gz LHIGZEGMLGESLP-UHFFFAOYSA-N 0 3 315.417 2.123 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@H]2CCCN2CC=C(C)C)nn1 ZINC001028192862 635800221 /nfs/dbraw/zinc/80/02/21/635800221.db2.gz RUNXGQOYTBIDAK-OAHLLOKOSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-n2cccn2)c1 ZINC001028200032 635812944 /nfs/dbraw/zinc/81/29/44/635812944.db2.gz KOYZLUHDDQSSNM-KRWDZBQOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001028205132 635823008 /nfs/dbraw/zinc/82/30/08/635823008.db2.gz HQZJKMMXUBAENG-XJKSGUPXSA-N 0 3 300.402 2.390 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ncn3cc(Cl)ccc23)CC1 ZINC001002859776 635823745 /nfs/dbraw/zinc/82/37/45/635823745.db2.gz FWZPOMFGAHZUEY-UHFFFAOYSA-N 0 3 318.808 2.368 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028206939 635824218 /nfs/dbraw/zinc/82/42/18/635824218.db2.gz XRPRJLGAPVFWRI-CYBMUJFWSA-N 0 3 305.447 2.484 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(Br)c[nH]1 ZINC000922089902 635856937 /nfs/dbraw/zinc/85/69/37/635856937.db2.gz JOPSPXKTWCCPTD-JOYOIKCWSA-N 0 3 300.200 2.243 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C3CC4(C3)CCOCC4)C2)C1 ZINC000982116868 635877169 /nfs/dbraw/zinc/87/71/69/635877169.db2.gz UVVNEJGYHQBIKF-UHFFFAOYSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)COc3ccccc3)C2)C1 ZINC000982130484 635884808 /nfs/dbraw/zinc/88/48/08/635884808.db2.gz NKDRALDXXGJPDM-UHFFFAOYSA-N 0 3 300.402 2.176 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001028230617 635928722 /nfs/dbraw/zinc/92/87/22/635928722.db2.gz QGDROGRDJGJIHH-HNNXBMFYSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](F)C1)CCO2 ZINC000949170632 635952645 /nfs/dbraw/zinc/95/26/45/635952645.db2.gz NYYGWFSTVZFKEY-LSDHHAIUSA-N 0 3 310.413 2.004 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnn2CC(C)C)C[C@@H]1C ZINC000947361399 635959946 /nfs/dbraw/zinc/95/99/46/635959946.db2.gz 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C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894217662 636485637 /nfs/dbraw/zinc/48/56/37/636485637.db2.gz BWDDHXPWXMXBAW-IUODEOHRSA-N 0 3 322.361 2.380 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001028609505 636501675 /nfs/dbraw/zinc/50/16/75/636501675.db2.gz NZAVTGZJPCDYSY-ZDUSSCGKSA-N 0 3 306.356 2.348 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001028624291 636510159 /nfs/dbraw/zinc/51/01/59/636510159.db2.gz VWHONADUFCCBQB-CYBMUJFWSA-N 0 3 306.356 2.348 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001028671349 636594193 /nfs/dbraw/zinc/59/41/93/636594193.db2.gz DWAALKIEQSKGJH-CQSZACIVSA-N 0 3 309.369 2.027 20 30 DEEDHN C[C@@H](NCc1ccccn1)[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004854373 636596396 /nfs/dbraw/zinc/59/63/96/636596396.db2.gz OILVNAGOHHWITH-CRAIPNDOSA-N 0 3 311.429 2.354 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC001028674488 636609647 /nfs/dbraw/zinc/60/96/47/636609647.db2.gz 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C=CCN1CC[C@@H](NC(=O)c2c(C)n(C)nc2Cl)C[C@H]1C ZINC000947980121 637236544 /nfs/dbraw/zinc/23/65/44/637236544.db2.gz NYKWGHQZUJZWGC-ZYHUDNBSSA-N 0 3 310.829 2.151 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923546736 637240279 /nfs/dbraw/zinc/24/02/79/637240279.db2.gz XODIOUUSZKDKOD-ULQDDVLXSA-N 0 3 316.445 2.296 20 30 DEEDHN CN(C)CC#CCNc1nn2cc(C3CCCC3)nc2s1 ZINC000894875632 637281942 /nfs/dbraw/zinc/28/19/42/637281942.db2.gz FTUDACNMNGTLDK-UHFFFAOYSA-N 0 3 303.435 2.425 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OCC)c(OC)c1 ZINC000838622845 637613814 /nfs/dbraw/zinc/61/38/14/637613814.db2.gz QIQFCGQSJQLEHX-UHFFFAOYSA-N 0 3 319.405 2.171 20 30 DEEDHN C[C@H](C#N)OCCN1CCC2(CC1)OCCc1ccccc12 ZINC000839037562 637746692 /nfs/dbraw/zinc/74/66/92/637746692.db2.gz CWLCPZMRYPOUTF-OAHLLOKOSA-N 0 3 300.402 2.479 20 30 DEEDHN C#C[C@@H](NCc1ccc(C(=O)OC)c(C)c1)C1CCOCC1 ZINC000895436208 638022714 /nfs/dbraw/zinc/02/27/14/638022714.db2.gz QHUJMMIJXYVOEU-QGZVFWFLSA-N 0 3 301.386 2.300 20 30 DEEDHN C#CCC1(O)CCN(Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000895670700 638142829 /nfs/dbraw/zinc/14/28/29/638142829.db2.gz OXDSUPXMUKVVJR-INIZCTEOSA-N 0 3 317.429 2.451 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3[nH]cnc3c2F)CC1 ZINC000896208817 638419310 /nfs/dbraw/zinc/41/93/10/638419310.db2.gz OGOWZJMHNWUNMI-UHFFFAOYSA-N 0 3 316.380 2.472 20 30 DEEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000896427445 638517285 /nfs/dbraw/zinc/51/72/85/638517285.db2.gz HUJHFNPQXLNSGI-KGLIPLIRSA-N 0 3 322.865 2.276 20 30 DEEDHN CSCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC000985938909 639700262 /nfs/dbraw/zinc/70/02/62/639700262.db2.gz FGLYCKMKBYNBTC-GXFFZTMASA-N 0 3 309.460 2.062 20 30 DEEDHN C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)c1ccon1 ZINC000986003107 639722552 /nfs/dbraw/zinc/72/25/52/639722552.db2.gz HCACLAIBRXMRPV-ZWNOBZJWSA-N 0 3 316.386 2.001 20 30 DEEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)O1 ZINC000757303763 639768831 /nfs/dbraw/zinc/76/88/31/639768831.db2.gz 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/nfs/dbraw/zinc/25/32/68/649253268.db2.gz JFSPRGOGJYDKPO-SUMWQHHRSA-N 0 3 320.383 2.357 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000942589422 649256455 /nfs/dbraw/zinc/25/64/55/649256455.db2.gz YMDQVFVDQRBFDY-CRAIPNDOSA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@@H](C)C1 ZINC000942821358 649289538 /nfs/dbraw/zinc/28/95/38/649289538.db2.gz DTBXYKHYQBVHHR-JSGCOSHPSA-N 0 3 301.390 2.016 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cnccc3n2)[C@H](C)C1 ZINC000942939788 649304050 /nfs/dbraw/zinc/30/40/50/649304050.db2.gz QSSPFVFXVOEQQH-UKRRQHHQSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(OC)c2C)[C@H](C)C1 ZINC000943174398 649345094 /nfs/dbraw/zinc/34/50/94/649345094.db2.gz CNTBQYPOPIBBIV-CJNGLKHVSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(OCC)c2)[C@@H](C)C1 ZINC000943178016 649346503 /nfs/dbraw/zinc/34/65/03/649346503.db2.gz QRXLNVZFVFYYEK-YOEHRIQHSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000943207676 649350149 /nfs/dbraw/zinc/35/01/49/649350149.db2.gz GZRSUTDGCFTGNM-BBRMVZONSA-N 0 3 320.383 2.357 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H](C)C1 ZINC000943516033 649387568 /nfs/dbraw/zinc/38/75/68/649387568.db2.gz JXKHZEVTHJKBNF-WMLDXEAASA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](C)C1 ZINC000943495959 649388723 /nfs/dbraw/zinc/38/87/23/649388723.db2.gz GPBPVTVHZVYXKN-GXTWGEPZSA-N 0 3 303.406 2.009 20 30 DEEDHN COCCN1[C@H](C)CN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000830075080 649390473 /nfs/dbraw/zinc/39/04/73/649390473.db2.gz VCRLZVUBCBKEST-IYBDPMFKSA-N 0 3 301.434 2.408 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000943546115 649392378 /nfs/dbraw/zinc/39/23/78/649392378.db2.gz AOBNSZWOUCCCSF-WBVHZDCISA-N 0 3 314.429 2.467 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](C)C1 ZINC000943648067 649408336 /nfs/dbraw/zinc/40/83/36/649408336.db2.gz 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649472277 /nfs/dbraw/zinc/47/22/77/649472277.db2.gz UBFSNGHLIMNNRR-SWLSCSKDSA-N 0 3 312.417 2.498 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](C)C1 ZINC000944136916 649488108 /nfs/dbraw/zinc/48/81/08/649488108.db2.gz XKFLMDFNBBTGGF-UONOGXRCSA-N 0 3 303.406 2.091 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)[C@@H](C)C1 ZINC000944155762 649492992 /nfs/dbraw/zinc/49/29/92/649492992.db2.gz PZPPXKKUSYQNDK-RDJZCZTQSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)s2)[C@H](C)C1 ZINC000944242252 649502107 /nfs/dbraw/zinc/50/21/07/649502107.db2.gz SJTSRSGENNLPAN-OCCSQVGLSA-N 0 3 317.458 2.484 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)n(C)nc2Cl)[C@@H](C)C1 ZINC000944489583 649527178 /nfs/dbraw/zinc/52/71/78/649527178.db2.gz AYOIMFSUWAGBLI-JQWIXIFHSA-N 0 3 310.829 2.008 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C)nc2C2CC2)[C@H](C)C1 ZINC000944530757 649530493 /nfs/dbraw/zinc/53/04/93/649530493.db2.gz FYFOFLABJFUPDW-WBMJQRKESA-N 0 3 314.433 2.289 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ncsc3c2)[C@H](C)C1 ZINC000944619662 649535709 /nfs/dbraw/zinc/53/57/09/649535709.db2.gz OFLBOLDCIABGAV-TZMCWYRMSA-N 0 3 313.426 2.370 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000944634948 649540522 /nfs/dbraw/zinc/54/05/22/649540522.db2.gz PEKJBZPSIXYYCH-DOMZBBRYSA-N 0 3 320.820 2.422 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@@H](C)C1 ZINC000944909868 649585425 /nfs/dbraw/zinc/58/54/25/649585425.db2.gz WEOSQPZRHWYFHB-GOEBONIOSA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)[C@H](C)C1 ZINC000945028559 649600194 /nfs/dbraw/zinc/60/01/94/649600194.db2.gz JKNOLSDNPSLPIJ-TZMCWYRMSA-N 0 3 314.389 2.296 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1cscn1 ZINC000073088151 649607159 /nfs/dbraw/zinc/60/71/59/649607159.db2.gz XFBOXBYLLHUERA-ZDUSSCGKSA-N 0 3 307.419 2.481 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)[C@H](C)C1 ZINC000945178133 649623847 /nfs/dbraw/zinc/62/38/47/649623847.db2.gz 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/nfs/dbraw/zinc/45/68/58/651456858.db2.gz ZVVUIPKTSSVAMD-AWEZNQCLSA-N 0 3 311.393 2.079 20 30 DEEDHN C#CCOc1ccc([C@H](C)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848569716 651472462 /nfs/dbraw/zinc/47/24/62/651472462.db2.gz HCWXDKXUEISDKC-GUYCJALGSA-N 0 3 314.385 2.332 20 30 DEEDHN N#CC(C(=O)CC1(C#N)CCOCC1)c1nc2ccccc2[nH]1 ZINC000850737982 651976619 /nfs/dbraw/zinc/97/66/19/651976619.db2.gz ADOMENQDCUOZCY-LBPRGKRZSA-N 0 3 308.341 2.450 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000850758740 651982629 /nfs/dbraw/zinc/98/26/29/651982629.db2.gz ISLYQACYZLRDBB-YNEHKIRRSA-N 0 3 316.357 2.158 20 30 DEEDHN CC1(C)OC[C@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000851726362 652217639 /nfs/dbraw/zinc/21/76/39/652217639.db2.gz OWLBSDXBVMITDH-INIZCTEOSA-N 0 3 315.417 2.222 20 30 DEEDHN CCOC(=O)N[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000851728918 652217954 /nfs/dbraw/zinc/21/79/54/652217954.db2.gz FPMVBEXRWFCPGN-INIZCTEOSA-N 0 3 301.390 2.311 20 30 DEEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCC(=O)O3)CC2)cc1 ZINC000851751969 652227495 /nfs/dbraw/zinc/22/74/95/652227495.db2.gz VNFQXARWUUWDKW-INIZCTEOSA-N 0 3 300.358 2.107 20 30 DEEDHN CCCCCC[C@](O)(CN1CCC(C)(C#N)CC1)C(=O)OC ZINC000851912656 652278759 /nfs/dbraw/zinc/27/87/59/652278759.db2.gz OMBCNQUPUFEWQN-KRWDZBQOSA-N 0 3 310.438 2.487 20 30 DEEDHN C#CCOCCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000852034049 652319222 /nfs/dbraw/zinc/31/92/22/652319222.db2.gz CYCYVFFERHLMFE-UHFFFAOYSA-N 0 3 308.422 2.112 20 30 DEEDHN C#CCOCCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000852054997 652326700 /nfs/dbraw/zinc/32/67/00/652326700.db2.gz MCYXIRQADPXZIM-MRXNPFEDSA-N 0 3 308.422 2.160 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(Cl)c1 ZINC000852102860 652340013 /nfs/dbraw/zinc/34/00/13/652340013.db2.gz RTUJWEMOWHXJBK-INIZCTEOSA-N 0 3 308.809 2.227 20 30 DEEDHN CCCCCC[C@@](O)(CN1CCC[C@H](CC#N)C1)C(=O)OC ZINC000852320221 652384876 /nfs/dbraw/zinc/38/48/76/652384876.db2.gz HEACANYUYKZUKO-NVXWUHKLSA-N 0 3 310.438 2.487 20 30 DEEDHN C#CCCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000852489411 652408479 /nfs/dbraw/zinc/40/84/79/652408479.db2.gz DHPXODTVDUSFAD-UHFFFAOYSA-N 0 3 319.412 2.484 20 30 DEEDHN COC(=O)CCN1CCC(N=Nc2ccnc(Cl)c2)CC1 ZINC000853395238 652544489 /nfs/dbraw/zinc/54/44/89/652544489.db2.gz QARXIBKBLDDMME-UHFFFAOYSA-N 0 3 310.785 2.162 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000853692132 652590325 /nfs/dbraw/zinc/59/03/25/652590325.db2.gz PUGLLFFDBHQHCK-IRXDYDNUSA-N 0 3 315.417 2.114 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NCc1cccc(F)c1F ZINC001392210115 1156892078 /nfs/dbraw/zinc/89/20/78/1156892078.db2.gz IEQDNTPMUFUJQT-BXUZGUMPSA-N 0 3 309.360 2.355 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)CN(C)CCC ZINC001356370381 1152077445 /nfs/dbraw/zinc/07/74/45/1152077445.db2.gz QISXTWCUBDLWKQ-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)C(F)(F)CC ZINC000858493506 685550892 /nfs/dbraw/zinc/55/08/92/685550892.db2.gz WNMXNRDFRYCZLX-UHFFFAOYSA-N 0 3 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C=CCN1CC[C@@H](N(C)C(=O)c2sccc2CN(C)C)C1 ZINC001033114417 689392888 /nfs/dbraw/zinc/39/28/88/689392888.db2.gz DCTPMJJFXJXSCI-CQSZACIVSA-N 0 3 307.463 2.142 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001033190008 689418295 /nfs/dbraw/zinc/41/82/95/689418295.db2.gz FNEWQCSMOYMDJN-HNNXBMFYSA-N 0 3 304.438 2.035 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2OC)C1 ZINC001033236663 689434565 /nfs/dbraw/zinc/43/45/65/689434565.db2.gz BKEJFUQHZFONME-MRXNPFEDSA-N 0 3 302.418 2.265 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001033269211 689444992 /nfs/dbraw/zinc/44/49/92/689444992.db2.gz PGQOCEBKFPOYQE-SJLPKXTDSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001033274747 689447168 /nfs/dbraw/zinc/44/71/68/689447168.db2.gz ASZYELDPKHZKEU-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033363905 689476627 /nfs/dbraw/zinc/47/66/27/689476627.db2.gz XCMFVXAYOYMSPO-RDJZCZTQSA-N 0 3 300.377 2.021 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001033444034 689500543 /nfs/dbraw/zinc/50/05/43/689500543.db2.gz SMFYLYGZMQJHEG-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC001033547978 689537701 /nfs/dbraw/zinc/53/77/01/689537701.db2.gz NVSMZFPGZVYVGQ-CQSZACIVSA-N 0 3 304.438 2.266 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033601104 689555948 /nfs/dbraw/zinc/55/59/48/689555948.db2.gz JWJXJICWPKSMJG-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001033649550 689571111 /nfs/dbraw/zinc/57/11/11/689571111.db2.gz BJHCZWOMPOFREA-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001033825683 689628161 /nfs/dbraw/zinc/62/81/61/689628161.db2.gz HBXQMHNVZHMHDB-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001033852480 689638734 /nfs/dbraw/zinc/63/87/34/689638734.db2.gz MQIUJZMIRFDEMP-HNNXBMFYSA-N 0 3 316.449 2.198 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(OCC)nc2)C1 ZINC001033854058 689639463 /nfs/dbraw/zinc/63/94/63/689639463.db2.gz SLGMWEMBFBKPRX-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCn1cccc1C(=O)N(CC)[C@@H]1CCN([C@H](C)COC)C1 ZINC001033858904 689641791 /nfs/dbraw/zinc/64/17/91/689641791.db2.gz NAGBUTAWNVYYFJ-HZPDHXFCSA-N 0 3 319.449 2.245 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001033950768 689672219 /nfs/dbraw/zinc/67/22/19/689672219.db2.gz WZVIQNIGKYQELK-LSDHHAIUSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001034004049 689689607 /nfs/dbraw/zinc/68/96/07/689689607.db2.gz MTGCBRFFFYYRRX-OAHLLOKOSA-N 0 3 317.433 2.462 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc3nccnc32)C1 ZINC001034007361 689691043 /nfs/dbraw/zinc/69/10/43/689691043.db2.gz YXNRDDJYTMZATJ-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001034262698 689786462 /nfs/dbraw/zinc/78/64/62/689786462.db2.gz PGBUKABAFFWJDN-HNNXBMFYSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001034284219 689794833 /nfs/dbraw/zinc/79/48/33/689794833.db2.gz ZNIIDJUGEAYGLS-CQSZACIVSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001034285592 689795129 /nfs/dbraw/zinc/79/51/29/689795129.db2.gz SUXFLJMXHXSYFJ-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)C[C@@H]1COc2ccccc2O1 ZINC000876557591 689856203 /nfs/dbraw/zinc/85/62/03/689856203.db2.gz ZWPGMHVKQPBFRI-OLZOCXBDSA-N 0 3 324.808 2.145 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC001034463433 689859227 /nfs/dbraw/zinc/85/92/27/689859227.db2.gz UFDYFSJUBODLGT-AWEZNQCLSA-N 0 3 305.426 2.019 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000876566316 689859861 /nfs/dbraw/zinc/85/98/61/689859861.db2.gz GFICPNQHOQCSMP-ZDUSSCGKSA-N 0 3 307.781 2.222 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001034464875 689860055 /nfs/dbraw/zinc/86/00/55/689860055.db2.gz HTERNHJFKWJPGU-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NCC)cc1C ZINC000876584332 689866202 /nfs/dbraw/zinc/86/62/02/689866202.db2.gz VPBMUHBGNFXQNO-LBPRGKRZSA-N 0 3 309.797 2.153 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000876599420 689871595 /nfs/dbraw/zinc/87/15/95/689871595.db2.gz ABISJGLRBXWSEU-CABZTGNLSA-N 0 3 300.761 2.481 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1-c1nncn1CC ZINC000876603664 689872859 /nfs/dbraw/zinc/87/28/59/689872859.db2.gz ZTFJWHAIMKMJFX-LBPRGKRZSA-N 0 3 319.796 2.373 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000876602665 689873021 /nfs/dbraw/zinc/87/30/21/689873021.db2.gz SGPAUSADQHZXDU-OAHLLOKOSA-N 0 3 322.836 2.321 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)NCCC)cc1 ZINC000876606682 689873485 /nfs/dbraw/zinc/87/34/85/689873485.db2.gz IYRZSTCUTOQSJU-ZDUSSCGKSA-N 0 3 309.797 2.235 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000876623774 689879873 /nfs/dbraw/zinc/87/98/73/689879873.db2.gz UAQYBDFCCPOPMK-RYUDHWBXSA-N 0 3 324.812 2.471 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC000876646071 689887499 /nfs/dbraw/zinc/88/74/99/689887499.db2.gz RSMBFVLNGXEVHK-MNOVXSKESA-N 0 3 312.801 2.230 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC(=O)OC)c1ccccc1 ZINC000876650331 689889208 /nfs/dbraw/zinc/88/92/08/689889208.db2.gz BNLYTUMGLDLNBM-KBPBESRZSA-N 0 3 324.808 2.267 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(N(C)C)cn2)C1 ZINC001034547017 689894071 /nfs/dbraw/zinc/89/40/71/689894071.db2.gz NPTHFSAQAAAPAW-OAHLLOKOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(OC)cc1Cl ZINC000876666789 689894610 /nfs/dbraw/zinc/89/46/10/689894610.db2.gz WULZRBIWVHQFGR-ZDUSSCGKSA-N 0 3 317.216 2.477 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001034553589 689897914 /nfs/dbraw/zinc/89/79/14/689897914.db2.gz YJICNRXJWYMRGO-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ncccc2OCC)C1 ZINC001034561269 689898089 /nfs/dbraw/zinc/89/80/89/689898089.db2.gz BYVUKYHJKYFXNU-OAHLLOKOSA-N 0 3 315.417 2.088 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000876708863 689910837 /nfs/dbraw/zinc/91/08/37/689910837.db2.gz CHSHCSJYCDZQSZ-MRXNPFEDSA-N 0 3 321.852 2.109 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000876716736 689913753 /nfs/dbraw/zinc/91/37/53/689913753.db2.gz LZWHTCWUMVYPIH-AWEZNQCLSA-N 0 3 322.840 2.158 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCN(C)c1ccccc1F ZINC000876736592 689921002 /nfs/dbraw/zinc/92/10/02/689921002.db2.gz WOJDTEXDRNXOSX-ZDUSSCGKSA-N 0 3 313.804 2.238 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000876740315 689923189 /nfs/dbraw/zinc/92/31/89/689923189.db2.gz MKBWHMUDZYNYTI-OCCSQVGLSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000876754426 689927716 /nfs/dbraw/zinc/92/77/16/689927716.db2.gz OILPDXUINZCRRL-OAHLLOKOSA-N 0 3 318.808 2.408 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000876900014 689968084 /nfs/dbraw/zinc/96/80/84/689968084.db2.gz UBUYXYODOZSOFG-KMFMINBZSA-N 0 3 324.852 2.202 20 30 DEEDHN COc1ccc(C)cc1CNC[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001034879738 689977010 /nfs/dbraw/zinc/97/70/10/689977010.db2.gz JLCSSEIFHFUIJB-GOEBONIOSA-N 0 3 315.417 2.244 20 30 DEEDHN C#CC1(O)CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000931151381 694328400 /nfs/dbraw/zinc/32/84/00/694328400.db2.gz MKFBVPKFEZFTBI-UHFFFAOYSA-N 0 3 309.312 2.011 20 30 DEEDHN CCc1noc(C)c1CNC[C@H]1CCCN1C(=O)C#CC1CC1 ZINC001034935264 689995549 /nfs/dbraw/zinc/99/55/49/689995549.db2.gz LCCIEPFAFNINGV-OAHLLOKOSA-N 0 3 315.417 2.039 20 30 DEEDHN CC(C)(C)OC(=O)NC(C)(C)CNCc1cccc(C#N)n1 ZINC000877074576 690013252 /nfs/dbraw/zinc/01/32/52/690013252.db2.gz ASQSCXVSJMWACD-UHFFFAOYSA-N 0 3 304.394 2.346 20 30 DEEDHN CSC(C)(C)CCN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000877467688 690122010 /nfs/dbraw/zinc/12/20/10/690122010.db2.gz MKVAGCWCZPBECP-UHFFFAOYSA-N 0 3 321.494 2.254 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(Cl)c[nH]1)CC2 ZINC001035649331 690142454 /nfs/dbraw/zinc/14/24/54/690142454.db2.gz UDCKTCNROIUIMS-UHFFFAOYSA-N 0 3 305.809 2.229 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n1 ZINC000877570700 690155417 /nfs/dbraw/zinc/15/54/17/690155417.db2.gz NDFUWLAZDLAIIH-PBHICJAKSA-N 0 3 313.401 2.461 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ocnc1CC)CC2 ZINC001035790485 690177213 /nfs/dbraw/zinc/17/72/13/690177213.db2.gz OIMOCRHWSBWGJI-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000877673346 690186078 /nfs/dbraw/zinc/18/60/78/690186078.db2.gz DSHJCGJYVGDRPA-WMLDXEAASA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](C)[C@H]1CCCO1)CC2 ZINC001035844046 690191480 /nfs/dbraw/zinc/19/14/80/690191480.db2.gz MARXPFBMTFHPFX-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN N#Cc1cnn2cc(CNC3([C@@H]4CCCCO4)CCC3)cnc12 ZINC000877771482 690220496 /nfs/dbraw/zinc/22/04/96/690220496.db2.gz QADINCYIQPKHRL-HNNXBMFYSA-N 0 3 311.389 2.182 20 30 DEEDHN C=CC[C@H](C)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000877942529 690266523 /nfs/dbraw/zinc/26/65/23/690266523.db2.gz IWEPIUBTJNSHFP-ULQDDVLXSA-N 0 3 307.482 2.073 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(C(C)C)nc2C)CC1 ZINC000878750785 690491101 /nfs/dbraw/zinc/49/11/01/690491101.db2.gz NKKDHBHZICMDDG-UHFFFAOYSA-N 0 3 302.422 2.289 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H](C)[C@](C)(CO)C1)c1ccccc1 ZINC000878992694 690543958 /nfs/dbraw/zinc/54/39/58/690543958.db2.gz QYUVCJSQYAVUHP-AYOQOUSVSA-N 0 3 314.429 2.377 20 30 DEEDHN C#CCCCCCN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000879017340 690549823 /nfs/dbraw/zinc/54/98/23/690549823.db2.gz ZTJQOVUSZZQMHL-UHFFFAOYSA-N 0 3 309.417 2.429 20 30 DEEDHN COC(=O)C[C@@](C)(NCc1ccc(C#N)cc1OC)C1CC1 ZINC000879440276 690641894 /nfs/dbraw/zinc/64/18/94/690641894.db2.gz AQYRNJVSIFPJCN-QGZVFWFLSA-N 0 3 302.374 2.388 20 30 DEEDHN COc1cccc([C@H]2CN(Cc3ccncc3C#N)CCN2)c1 ZINC000879523147 690660626 /nfs/dbraw/zinc/66/06/26/690660626.db2.gz UNZHXMBFCIWDGY-GOSISDBHSA-N 0 3 308.385 2.108 20 30 DEEDHN C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1[O-] ZINC000879650258 690699042 /nfs/dbraw/zinc/69/90/42/690699042.db2.gz SABKNMDEPXDANV-UONOGXRCSA-N 0 3 304.390 2.114 20 30 DEEDHN C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1[O-] ZINC000879653750 690699785 /nfs/dbraw/zinc/69/97/85/690699785.db2.gz WACBABALPNCNEV-ZDUSSCGKSA-N 0 3 301.390 2.385 20 30 DEEDHN C#CCOCCN1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756255 690723430 /nfs/dbraw/zinc/72/34/30/690723430.db2.gz SQFATIHCOOMQLL-CABCVRRESA-N 0 3 308.422 2.110 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001038313470 690778187 /nfs/dbraw/zinc/77/81/87/690778187.db2.gz DKCFEDRVVZVXSX-AWEZNQCLSA-N 0 3 307.463 2.190 20 30 DEEDHN Cc1cc(NC(=O)N[C@H]2CCN(C)[C@@H]2C)c(C#N)cc1N(C)C ZINC000931443781 694397208 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ZINC001042257386 691550283 /nfs/dbraw/zinc/55/02/83/691550283.db2.gz IOUNZZDISOAPRF-OCCSQVGLSA-N 0 3 320.824 2.161 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3nc(CC)oc3C)C[C@H]21 ZINC001042265825 691553200 /nfs/dbraw/zinc/55/32/00/691553200.db2.gz KCISIWSPQFKSRX-ZIAGYGMSSA-N 0 3 303.406 2.268 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21 ZINC001042272979 691554651 /nfs/dbraw/zinc/55/46/51/691554651.db2.gz QWOQQOJRWCLUOC-PBHICJAKSA-N 0 3 310.401 2.057 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccc(OC)c3)C[C@H]21 ZINC001042333146 691573272 /nfs/dbraw/zinc/57/32/72/691573272.db2.gz ZMETYAXYEFDYRK-CRAIPNDOSA-N 0 3 312.413 2.255 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)COc3ccccc3)C[C@@H]21 ZINC001042334884 691573794 /nfs/dbraw/zinc/57/37/94/691573794.db2.gz HZBMZPYJZLJMDI-WMZOPIPTSA-N 0 3 312.413 2.012 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)COc3ccc(C)cc3)C[C@H]21 ZINC001042343471 691577498 /nfs/dbraw/zinc/57/74/98/691577498.db2.gz MSASXSBZBBSVBT-SJLPKXTDSA-N 0 3 314.429 2.483 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCc3cccs3)C[C@H]21 ZINC001042349671 691579136 /nfs/dbraw/zinc/57/91/36/691579136.db2.gz ROKQKWUITSENOE-GDBMZVCRSA-N 0 3 302.443 2.237 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3nc(C)c(C)s3)C[C@@H]21 ZINC001042360900 691582729 /nfs/dbraw/zinc/58/27/29/691582729.db2.gz YIHKDYHRTBTUAE-GJZGRUSLSA-N 0 3 317.458 2.320 20 30 DEEDHN C#CCN1CC[C@H]2CCN(C(=O)CCc3ccc(C)o3)C[C@H]21 ZINC001042367528 691584145 /nfs/dbraw/zinc/58/41/45/691584145.db2.gz HUKRNKRWJLGNIS-DOTOQJQBSA-N 0 3 300.402 2.077 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@@H]21 ZINC001042371345 691584984 /nfs/dbraw/zinc/58/49/84/691584984.db2.gz PFUBBOXLNMEXRX-RUOITVIXSA-N 0 3 312.457 2.225 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ncccc3OCC)C[C@@H]21 ZINC001042388525 691587556 /nfs/dbraw/zinc/58/75/56/691587556.db2.gz QUOPPONQCPPRSX-CABCVRRESA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)n(C(C)C)n3)C[C@@H]21 ZINC001042385744 691587725 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C[C@@H]1c2ccccc2CCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884129392 691661274 /nfs/dbraw/zinc/66/12/74/691661274.db2.gz GHDKDMZEDGDXSP-DOHUUOFWSA-N 0 3 309.413 2.272 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCCc3ccccc3C1)C2 ZINC000884129494 691661498 /nfs/dbraw/zinc/66/14/98/691661498.db2.gz IFCVMGBFPGPTGN-TVRKMHQQSA-N 0 3 309.413 2.101 20 30 DEEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccs1 ZINC000884139051 691663882 /nfs/dbraw/zinc/66/38/82/691663882.db2.gz HKVWFXGCCQHPIT-UIORMTCPSA-N 0 3 317.458 2.281 20 30 DEEDHN CC(C)(C)[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)C(F)(F)F ZINC000884160729 691670265 /nfs/dbraw/zinc/67/02/65/691670265.db2.gz MSMXAKNEDQUSPB-WZSIEWQMSA-N 0 3 317.355 2.219 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(N3CCCC3)c1)C2 ZINC000884194383 691678592 /nfs/dbraw/zinc/67/85/92/691678592.db2.gz IBQIBKMOSBPUIP-XAUUPUKJSA-N 0 3 324.428 2.365 20 30 DEEDHN CCOc1ccccc1N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884329296 691711236 /nfs/dbraw/zinc/71/12/36/691711236.db2.gz 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C=CCN1CC[C@@H](N2CCN(C(=O)c3csc(C)c3)CC2)C1 ZINC001046070540 692080158 /nfs/dbraw/zinc/08/01/58/692080158.db2.gz XBDMOBCGGDCSBU-MRXNPFEDSA-N 0 3 319.474 2.075 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCOC2(CCCC2)C1)C1CCN(C)CC1 ZINC000886572161 692113083 /nfs/dbraw/zinc/11/30/83/692113083.db2.gz ALGFLKLBERNQKP-MRXNPFEDSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN(C(=O)[C@H](CC(C)C)n1ccnc1)C1CCN(C)CC1 ZINC000886573845 692113801 /nfs/dbraw/zinc/11/38/01/692113801.db2.gz YTZNMRVFFPLISC-KRWDZBQOSA-N 0 3 316.449 2.026 20 30 DEEDHN C#CCN(C(=O)C[C@H](O)CC[C@@H](C)CC)C1CCN(C)CC1 ZINC000886577666 692114861 /nfs/dbraw/zinc/11/48/61/692114861.db2.gz RVMGUIKQENHMEW-DOTOQJQBSA-N 0 3 308.466 2.120 20 30 DEEDHN C#CCN(C(=O)c1cc2c(cccc2F)[nH]1)C1CCN(C)CC1 ZINC000886585529 692119610 /nfs/dbraw/zinc/11/96/10/692119610.db2.gz ZOACONMUZWSBAV-UHFFFAOYSA-N 0 3 313.376 2.477 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001046352187 692162602 /nfs/dbraw/zinc/16/26/02/692162602.db2.gz 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YRYPXBNQIVDFDR-INIZCTEOSA-N 0 3 322.412 2.090 20 30 DEEDHN C[C@H](N[C@H]1C[C@@H](O)C12CCOCC2)c1ccc(C#N)cc1F ZINC000927157204 693562846 /nfs/dbraw/zinc/56/28/46/693562846.db2.gz UDJLHYFVPHRNFZ-KNXALSJPSA-N 0 3 304.365 2.278 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(COC)o2)CC1 ZINC001052545592 693564149 /nfs/dbraw/zinc/56/41/49/693564149.db2.gz MMHKPTZEQKSGOX-AWEZNQCLSA-N 0 3 304.390 2.034 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ncc(Cl)s2)CC1 ZINC001052557750 693567733 /nfs/dbraw/zinc/56/77/33/693567733.db2.gz VSKALRDRLRCFEP-LLVKDONJSA-N 0 3 311.838 2.404 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(F)c(F)cc2F)CC1 ZINC001052665742 693591568 /nfs/dbraw/zinc/59/15/68/693591568.db2.gz DJPVCCMWWCNBTD-LLVKDONJSA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC001052665796 693591633 /nfs/dbraw/zinc/59/16/33/693591633.db2.gz FXRYDZFMXOUVJH-LLVKDONJSA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC001052666592 693592924 /nfs/dbraw/zinc/59/29/24/693592924.db2.gz WYZCOJXEJRJHIM-CQSZACIVSA-N 0 3 306.356 2.111 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(Cc3cnn(C)c3)CC2)C1 ZINC001052687912 693595530 /nfs/dbraw/zinc/59/55/30/693595530.db2.gz BJJGFBZYFHJLEH-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001052735093 693605948 /nfs/dbraw/zinc/60/59/48/693605948.db2.gz GESQAVSBVHNERZ-FGTMMUONSA-N 0 3 311.429 2.179 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cnc(C)nc2C(C)C)CC1 ZINC001052765524 693615774 /nfs/dbraw/zinc/61/57/74/693615774.db2.gz GWCJUHJMYZSVJG-HNNXBMFYSA-N 0 3 314.433 2.126 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2scnc2C(C)C)CC1 ZINC001052775493 693617397 /nfs/dbraw/zinc/61/73/97/693617397.db2.gz VJCWYHQTBQJESV-CYBMUJFWSA-N 0 3 305.447 2.484 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2scnc2C(C)C)CC1 ZINC001052775494 693617428 /nfs/dbraw/zinc/61/74/28/693617428.db2.gz VJCWYHQTBQJESV-ZDUSSCGKSA-N 0 3 305.447 2.484 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2scnc2C2CC2)CC1 ZINC001052773949 693617495 /nfs/dbraw/zinc/61/74/95/693617495.db2.gz BJKYURUOQMCMGG-ZDUSSCGKSA-N 0 3 303.431 2.238 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc3nccnc32)CC1 ZINC001052821313 693625554 /nfs/dbraw/zinc/62/55/54/693625554.db2.gz WVFFTDPWEFEXOC-OAHLLOKOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC001052853660 693634239 /nfs/dbraw/zinc/63/42/39/693634239.db2.gz UVUFYTBTDUOBSS-AWEZNQCLSA-N 0 3 302.422 2.059 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC001052853660 693634243 /nfs/dbraw/zinc/63/42/43/693634243.db2.gz UVUFYTBTDUOBSS-AWEZNQCLSA-N 0 3 302.422 2.059 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(C[C@H](F)CC)CC2)nc1 ZINC001052876656 693638428 /nfs/dbraw/zinc/63/84/28/693638428.db2.gz YPQKUOAISRBRMF-CVEARBPZSA-N 0 3 317.408 2.395 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2OC)CC1 ZINC001052881275 693639996 /nfs/dbraw/zinc/63/99/96/693639996.db2.gz WVYRISUYAQNOTD-OAHLLOKOSA-N 0 3 300.402 2.221 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc(OC)c2)CC1 ZINC001052892657 693642891 /nfs/dbraw/zinc/64/28/91/693642891.db2.gz IZQFRIVZEWJSIS-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3[nH]ccc3s2)CC1 ZINC001052898244 693644368 /nfs/dbraw/zinc/64/43/68/693644368.db2.gz VTWFYQZTVQFQGN-GFCCVEGCSA-N 0 3 301.415 2.447 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cn3c(cccc3C)n2)CC1 ZINC001052926162 693649773 /nfs/dbraw/zinc/64/97/73/693649773.db2.gz ZNHPRUKVYGURHS-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cnc(CC)s2)CC1 ZINC001052970038 693659192 /nfs/dbraw/zinc/65/91/92/693659192.db2.gz YNOMSWGACUCQRO-ZDUSSCGKSA-N 0 3 305.447 2.313 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CCOCC2)C1 ZINC001053061107 693680001 /nfs/dbraw/zinc/68/00/01/693680001.db2.gz MMLODUISPLUHNQ-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2cocn2)C1 ZINC001053078670 693685064 /nfs/dbraw/zinc/68/50/64/693685064.db2.gz VVIRSTRGXKLZMB-DOTOQJQBSA-N 0 3 315.417 2.405 20 30 DEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2nc(C)c[nH]2)C1 ZINC001053099132 693688897 /nfs/dbraw/zinc/68/88/97/693688897.db2.gz AIOGEENAGPCSEN-JKSUJKDBSA-N 0 3 314.433 2.058 20 30 DEEDHN CCCC(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001402252568 1162307262 /nfs/dbraw/zinc/30/72/62/1162307262.db2.gz WXPPVKUUQPWTQP-MRXNPFEDSA-N 0 3 303.381 2.482 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC001331594667 1149546909 /nfs/dbraw/zinc/54/69/09/1149546909.db2.gz MFAMPNLIRMMSBM-GOEBONIOSA-N 0 3 300.402 2.013 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C1 ZINC001332046947 1149812860 /nfs/dbraw/zinc/81/28/60/1149812860.db2.gz HTZMYKQKXPPEAG-CZUORRHYSA-N 0 3 320.820 2.182 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001332272036 1149843088 /nfs/dbraw/zinc/84/30/88/1149843088.db2.gz NVZMQCXVSMDRNK-CHWSQXEVSA-N 0 3 308.451 2.269 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)CCc1ccc(C)cc1C ZINC001332646238 1149876464 /nfs/dbraw/zinc/87/64/64/1149876464.db2.gz FACZJUVBHQSRBV-GOSISDBHSA-N 0 3 318.461 2.173 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC001343322915 1150734885 /nfs/dbraw/zinc/73/48/85/1150734885.db2.gz OGLRXCIOFINKJU-SSDOTTSWSA-N 0 3 308.329 2.265 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001402543991 1162386957 /nfs/dbraw/zinc/38/69/57/1162386957.db2.gz NORZGXPMZCPKEC-JOCQHMNTSA-N 0 3 312.772 2.194 20 30 DEEDHN C=CCCCN(CC)C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001345603117 1150898481 /nfs/dbraw/zinc/89/84/81/1150898481.db2.gz NMOOQCTYTVZABW-HNNXBMFYSA-N 0 3 315.417 2.327 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001479992279 1151284176 /nfs/dbraw/zinc/28/41/76/1151284176.db2.gz MROSHVLIEIMTHY-UHFFFAOYSA-N 0 3 303.406 2.290 20 30 DEEDHN C[C@H](CNCc1c(F)cccc1Cl)CNC(=O)[C@H](C)C#N ZINC001378545228 1152370604 /nfs/dbraw/zinc/37/06/04/1152370604.db2.gz AUVLBRRGNGQXIX-GHMZBOCLSA-N 0 3 311.788 2.481 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001378866944 1152473251 /nfs/dbraw/zinc/47/32/51/1152473251.db2.gz ZXKBJYNXIIQCCQ-HDJSIYSDSA-N 0 3 324.856 2.452 20 30 DEEDHN CC[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CC1 ZINC001380063054 1152742846 /nfs/dbraw/zinc/74/28/46/1152742846.db2.gz WQCBRIAGPPRCKB-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCCCN1C)C(C)(C)C ZINC001380077543 1152746610 /nfs/dbraw/zinc/74/66/10/1152746610.db2.gz QLEWMNVXURKMKL-KBPBESRZSA-N 0 3 315.889 2.344 20 30 DEEDHN COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2C#N)N2CCCC2)cc1 ZINC001361849584 1152758071 /nfs/dbraw/zinc/75/80/71/1152758071.db2.gz YIKUCKYIIZOIMV-DJIMGWMZSA-N 0 3 313.401 2.108 20 30 DEEDHN CCO[C@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC001402890740 1162519431 /nfs/dbraw/zinc/51/94/31/1162519431.db2.gz VFOHBSDPOGIRHC-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001381323291 1153005263 /nfs/dbraw/zinc/00/52/63/1153005263.db2.gz RHQVTUIEAXDMDA-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@H]2C[C@@H]2C)cc1C#N ZINC001382112891 1153361520 /nfs/dbraw/zinc/36/15/20/1153361520.db2.gz BUAIJFHRZBEIOI-XEZPLFJOSA-N 0 3 315.417 2.159 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)Cn1cncc1C)C(C)(C)C ZINC001382519969 1153461867 /nfs/dbraw/zinc/46/18/67/1153461867.db2.gz JDAUUZVYEUZKPT-ZDUSSCGKSA-N 0 3 312.845 2.065 20 30 DEEDHN C[C@@H](NCc1ccccc1F)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001402962395 1162577726 /nfs/dbraw/zinc/57/77/26/1162577726.db2.gz HKQITGIWDPRJEJ-NEPJUHHUSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1nn(C)cc1C ZINC001389336417 1155313208 /nfs/dbraw/zinc/31/32/08/1155313208.db2.gz CPOAHPWKCJLHQJ-KBPBESRZSA-N 0 3 324.856 2.454 20 30 DEEDHN C[C@H](CNC(=O)C1(C)CCOCC1)NCc1ccc(C#N)s1 ZINC001403075105 1162692142 /nfs/dbraw/zinc/69/21/42/1162692142.db2.gz VIKDGSIOBAZQEF-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN CCCC(=O)NC[C@H](NCc1cc(C#N)ccc1OC)C1CC1 ZINC001389564421 1155369245 /nfs/dbraw/zinc/36/92/45/1155369245.db2.gz SCZVZUJPDJIYBI-INIZCTEOSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COCC2CCCC2)C1 ZINC001389958485 1155482877 /nfs/dbraw/zinc/48/28/77/1155482877.db2.gz KVPYSMUSCUKXJX-OKILXGFUSA-N 0 3 300.830 2.183 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)c2ccccc2)cc1C#N ZINC001371096540 1155702110 /nfs/dbraw/zinc/70/21/10/1155702110.db2.gz VVWYYEXLZGXQHH-CQSZACIVSA-N 0 3 323.396 2.475 20 30 DEEDHN C[C@H](CNC(=O)C1(CCF)CC1)NCc1ccc(C#N)c(F)c1 ZINC001371298578 1155816174 /nfs/dbraw/zinc/81/61/74/1155816174.db2.gz CKKUQXYYNYJDOJ-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN COc1ccc(CN(CCNC(=O)[C@H](C)C#N)C2CC2)cc1C ZINC001391158438 1156198727 /nfs/dbraw/zinc/19/87/27/1156198727.db2.gz ZOKMHLODURRLLG-CQSZACIVSA-N 0 3 315.417 2.244 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](CC)NCc1cc(C#N)ccc1OC ZINC001391722683 1156740094 /nfs/dbraw/zinc/74/00/94/1156740094.db2.gz UQDUKVVUMOTWRY-HUUCEWRRSA-N 0 3 321.396 2.299 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)COCC(F)F)CCCC1 ZINC001392018922 1156850668 /nfs/dbraw/zinc/85/06/68/1156850668.db2.gz ZWBHXCZRVISYLA-UHFFFAOYSA-N 0 3 310.772 2.039 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccc(=O)[nH]c2)CCCC1 ZINC001392026529 1156851987 /nfs/dbraw/zinc/85/19/87/1156851987.db2.gz PPFMJGWNFJMHMH-UHFFFAOYSA-N 0 3 309.797 2.172 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)N(C)C(=O)C1(C)CC1 ZINC001392058540 1156859401 /nfs/dbraw/zinc/85/94/01/1156859401.db2.gz DSCWVMZWFAKSLC-ZDUSSCGKSA-N 0 3 315.417 2.303 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001392092823 1156866725 /nfs/dbraw/zinc/86/67/25/1156866725.db2.gz SAYMPWRKDLLYFV-XEZPLFJOSA-N 0 3 315.417 2.159 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1n[nH]c(C)c1C)C1CC1 ZINC001373870709 1157422961 /nfs/dbraw/zinc/42/29/61/1157422961.db2.gz BBCKBSOZTSZZHD-HNNXBMFYSA-N 0 3 310.829 2.267 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cncs2)CCCC1 ZINC001374160581 1157676361 /nfs/dbraw/zinc/67/63/61/1157676361.db2.gz AIMXCKDQLMHMEB-UHFFFAOYSA-N 0 3 313.854 2.457 20 30 DEEDHN COc1cccc(CN2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)c1C ZINC001393110282 1157692404 /nfs/dbraw/zinc/69/24/04/1157692404.db2.gz ZQMDPHSWDJMERR-FZKQIMNGSA-N 0 3 315.417 2.244 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)NCc1ccc(F)cc1F ZINC001374415878 1157847211 /nfs/dbraw/zinc/84/72/11/1157847211.db2.gz QSOBHQUEQFLWOC-ABAIWWIYSA-N 0 3 309.360 2.355 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2cncnc2)CC1 ZINC001393850736 1158021203 /nfs/dbraw/zinc/02/12/03/1158021203.db2.gz BXCLARZFWVFOHA-UHFFFAOYSA-N 0 3 322.840 2.403 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001394047116 1158203376 /nfs/dbraw/zinc/20/33/76/1158203376.db2.gz DQNNHCWIPLUVGH-GJZGRUSLSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)Cc1cccc(C#N)c1 ZINC001394142817 1158333627 /nfs/dbraw/zinc/33/36/27/1158333627.db2.gz RUQLAYSCVFLXHC-AWEZNQCLSA-N 0 3 310.401 2.066 20 30 DEEDHN COC[C@@H](C)CC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375134895 1158343445 /nfs/dbraw/zinc/34/34/45/1158343445.db2.gz QOTLWQUOZJIRKL-GJZGRUSLSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(CCCc2ccsc2)C1 ZINC001394221345 1158381189 /nfs/dbraw/zinc/38/11/89/1158381189.db2.gz SUCULWRTJCTLKK-STQMWFEESA-N 0 3 305.447 2.277 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](OC)C2CCC2)C1 ZINC001375571048 1158817033 /nfs/dbraw/zinc/81/70/33/1158817033.db2.gz SXBFNOQEPAFVGR-CFVMTHIKSA-N 0 3 314.857 2.429 20 30 DEEDHN CCc1ccccc1CN(C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001403546855 1162986773 /nfs/dbraw/zinc/98/67/73/1162986773.db2.gz SOJBDBJYTPSOKX-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN COCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001375730574 1158856249 /nfs/dbraw/zinc/85/62/49/1158856249.db2.gz BEQGTTGTFDPVLN-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001376443823 1159427607 /nfs/dbraw/zinc/42/76/07/1159427607.db2.gz LBEAYWXQIQNNGK-LEWSCRJBSA-N 0 3 321.421 2.186 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1nncc2ccccc21 ZINC001377044486 1159884041 /nfs/dbraw/zinc/88/40/41/1159884041.db2.gz NJFJCGUFNNFJDN-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN CS[C@@H](C)C(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001377065210 1159889774 /nfs/dbraw/zinc/88/97/74/1159889774.db2.gz GBGZFHJGISXWIM-RYUDHWBXSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001377728070 1160795712 /nfs/dbraw/zinc/79/57/12/1160795712.db2.gz QYTZCDYHAFYGMS-PIMMBPRGSA-N 0 3 300.830 2.040 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378036030 1160943685 /nfs/dbraw/zinc/94/36/85/1160943685.db2.gz FRLJQVBCSFGPSQ-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001378040183 1160950853 /nfs/dbraw/zinc/95/08/53/1160950853.db2.gz WMUQHPAFXOSGOZ-UGFHNGPFSA-N 0 3 321.371 2.396 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)CCOC)CCCC[C@@H]1C ZINC001401016984 1161856938 /nfs/dbraw/zinc/85/69/38/1161856938.db2.gz DRCQYXWZEKJBJD-WFASDCNBSA-N 0 3 302.846 2.430 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@@H](C)CNCc1cc(F)ccc1C#N ZINC001401123120 1161878038 /nfs/dbraw/zinc/87/80/38/1161878038.db2.gz JMPRXJXFLXZGIO-NHYWBVRUSA-N 0 3 309.360 2.287 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C(C)(F)F ZINC001401194956 1161891121 /nfs/dbraw/zinc/89/11/21/1161891121.db2.gz CYCROFUFWCSTPX-SECBINFHSA-N 0 3 301.362 2.211 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)[C@H]1CC12CC2 ZINC001401240080 1161901720 /nfs/dbraw/zinc/90/17/20/1161901720.db2.gz FZTBBKDWMQQUNZ-IUODEOHRSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cncc2[nH]cnc21)C(C)C ZINC001401327855 1161933047 /nfs/dbraw/zinc/93/30/47/1161933047.db2.gz WFYJHLXHXZNLCM-GFCCVEGCSA-N 0 3 321.812 2.054 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001401588917 1162037869 /nfs/dbraw/zinc/03/78/69/1162037869.db2.gz XFVNBDMPFSSERL-LMWSTFAQSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CCC1CC1 ZINC001401612737 1162045421 /nfs/dbraw/zinc/04/54/21/1162045421.db2.gz KZSCVYFCLHNAGA-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)COC(C)(C)C ZINC001401774801 1162123472 /nfs/dbraw/zinc/12/34/72/1162123472.db2.gz WGIFVMMSLLUCEC-AWEZNQCLSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1ccc(F)cn1)C(C)(C)C ZINC001403954453 1163328800 /nfs/dbraw/zinc/32/88/00/1163328800.db2.gz OARQKFZUSCGQFN-SMDDNHRTSA-N 0 3 306.385 2.001 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)CN2CCCC2)CC1 ZINC001403979860 1163348028 /nfs/dbraw/zinc/34/80/28/1163348028.db2.gz LOIVRKASEAIGST-CQSZACIVSA-N 0 3 313.873 2.051 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001404879160 1163844355 /nfs/dbraw/zinc/84/43/55/1163844355.db2.gz VPALIBGRIZICRL-ZIAGYGMSSA-N 0 3 311.429 2.444 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001405235877 1164025099 /nfs/dbraw/zinc/02/50/99/1164025099.db2.gz ZEGKZELBXSXQHR-SWLSCSKDSA-N 0 3 321.446 2.173 20 30 DEEDHN COCCC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001405477778 1164111503 /nfs/dbraw/zinc/11/15/03/1164111503.db2.gz APVVUUULLCSJIK-QAQDUYKDSA-N 0 3 315.417 2.112 20 30 DEEDHN CC(C)[C@H](C[N-]C(=O)C(F)F)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001406013894 1164388838 /nfs/dbraw/zinc/38/88/38/1164388838.db2.gz WYRZOAGOYYEORO-ZDUSSCGKSA-N 0 3 313.323 2.193 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC001406710387 1164804955 /nfs/dbraw/zinc/80/49/55/1164804955.db2.gz VVJHLRYEWSJXFF-GFCCVEGCSA-N 0 3 324.856 2.481 20 30 DEEDHN C[C@@H](N[C@@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1)c1ccc(F)cc1F ZINC001418049425 1167382445 /nfs/dbraw/zinc/38/24/45/1167382445.db2.gz INDVNFHHPISEPU-LFSVMHDDSA-N 0 3 307.344 2.422 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418205147 1167487270 /nfs/dbraw/zinc/48/72/70/1167487270.db2.gz PKKGPIHLNODTPF-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn(CC2CC2)c1 ZINC001418425701 1167646614 /nfs/dbraw/zinc/64/66/14/1167646614.db2.gz XSCMYAQSUAHSTR-GFCCVEGCSA-N 0 3 310.829 2.144 20 30 DEEDHN CCN(CCNC(=O)[C@H]1C[C@@H]1C(F)F)Cc1ccc(C#N)cc1 ZINC001418541851 1167800807 /nfs/dbraw/zinc/80/08/07/1167800807.db2.gz ZXLCYJOQFXOIPG-GJZGRUSLSA-N 0 3 321.371 2.398 20 30 DEEDHN CCN(CCNC(=O)Cc1ccc[nH]1)Cc1cccc(C#N)c1 ZINC001418581830 1167826806 /nfs/dbraw/zinc/82/68/06/1167826806.db2.gz OAZLVSMFEPOUGD-UHFFFAOYSA-N 0 3 310.401 2.067 20 30 DEEDHN C=C(Cl)CN1CC(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001419030881 1168146073 /nfs/dbraw/zinc/14/60/73/1168146073.db2.gz FJNSHOZQVLTERU-CQSZACIVSA-N 0 3 313.873 2.051 20 30 DEEDHN Cc1noc(C)c1CN1CCC(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001419388027 1168439402 /nfs/dbraw/zinc/43/94/02/1168439402.db2.gz PMFDHCPGBCQDKF-LBPRGKRZSA-N 0 3 318.421 2.169 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H](C)CNCc1ccccc1OC1CC1 ZINC001419647269 1168750035 /nfs/dbraw/zinc/75/00/35/1168750035.db2.gz KDEWBWFKVSOKSY-ZIAGYGMSSA-N 0 3 315.417 2.324 20 30 DEEDHN CC[C@H](C)OCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001419656881 1168763375 /nfs/dbraw/zinc/76/33/75/1168763375.db2.gz KKJSXMXWDJJETJ-STQMWFEESA-N 0 3 323.462 2.371 20 30 DEEDHN Cc1nocc1C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001419720959 1168820005 /nfs/dbraw/zinc/82/00/05/1168820005.db2.gz YZYJGZUHVUQZAC-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NCc1ccc(F)c(F)c1 ZINC001419723247 1168821198 /nfs/dbraw/zinc/82/11/98/1168821198.db2.gz CZPIUKCMXOWAPM-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001420482793 1169635116 /nfs/dbraw/zinc/63/51/16/1169635116.db2.gz XKWKCZNNLUTPTK-CZUORRHYSA-N 0 3 303.381 2.396 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@]34C[C@H]3CCC4)CC2)cc1 ZINC001420970163 1171389133 /nfs/dbraw/zinc/38/91/33/1171389133.db2.gz JBBKRAALRDQQHM-VQIMIIECSA-N 0 3 309.413 2.487 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CC)C(=O)CN(C)C(C)C)C1 ZINC001421357120 1171737058 /nfs/dbraw/zinc/73/70/58/1171737058.db2.gz FWYSNNFWIMLNJS-AWEZNQCLSA-N 0 3 301.862 2.002 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2ncc[nH]2)CCCC[C@@H]1C ZINC001421594933 1171862352 /nfs/dbraw/zinc/86/23/52/1171862352.db2.gz WQBXHZGUKDDGAX-XHDPSFHLSA-N 0 3 310.829 2.431 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)c1cccn1C ZINC001421689730 1171902449 /nfs/dbraw/zinc/90/24/49/1171902449.db2.gz RQWAGPJZFZROLL-CQSZACIVSA-N 0 3 310.401 2.052 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cccc(OC)n2)CCCC1 ZINC001421852965 1172048097 /nfs/dbraw/zinc/04/80/97/1172048097.db2.gz IMPQRJISQSMMNX-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H](C)C#N ZINC001422005553 1172224855 /nfs/dbraw/zinc/22/48/55/1172224855.db2.gz KUDZSVYXXDIZNX-OLZOCXBDSA-N 0 3 318.446 2.400 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)CCOc1ccc(Cl)cc1 ZINC001422152924 1172350507 /nfs/dbraw/zinc/35/05/07/1172350507.db2.gz PYCRBCAWSLIXLH-ZDUSSCGKSA-N 0 3 323.824 2.269 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001422275181 1172454038 /nfs/dbraw/zinc/45/40/38/1172454038.db2.gz ZATVQEGGBXJMDM-JXQTWKCFSA-N 0 3 302.846 2.284 20 30 DEEDHN C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)[N-]C(=O)C(C)(F)F ZINC001422298404 1172465970 /nfs/dbraw/zinc/46/59/70/1172465970.db2.gz PMLLARQTURLNBX-ZJUUUORDSA-N 0 3 313.323 2.335 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CC1(F)F)N(C)Cc1ccc(C#N)cc1 ZINC001422507908 1172661655 /nfs/dbraw/zinc/66/16/55/1172661655.db2.gz FDGIDSGZZHUGCD-RISCZKNCSA-N 0 3 307.344 2.150 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001422519245 1172671982 /nfs/dbraw/zinc/67/19/82/1172671982.db2.gz NAYUGTATYVKSDW-AWEZNQCLSA-N 0 3 315.889 2.440 20 30 DEEDHN CCn1cccc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001422607555 1172755410 /nfs/dbraw/zinc/75/54/10/1172755410.db2.gz SRNWCFWFDOAOIV-GFCCVEGCSA-N 0 3 316.430 2.349 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001422988535 1173001177 /nfs/dbraw/zinc/00/11/77/1173001177.db2.gz ZFKKRGSLRWUBAV-UKRRQHHQSA-N 0 3 324.856 2.413 20 30 DEEDHN N#Cc1ccc(CNC[C@H](NC(=O)c2cc[nH]c2)C2CC2)s1 ZINC001422990100 1173002341 /nfs/dbraw/zinc/00/23/41/1173002341.db2.gz BBYYJHKYBNJDDE-HNNXBMFYSA-N 0 3 314.414 2.246 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001423109812 1173081652 /nfs/dbraw/zinc/08/16/52/1173081652.db2.gz BUAIJFHRZBEIOI-DVOMOZLQSA-N 0 3 315.417 2.159 20 30 DEEDHN C[C@@H](NCC1(C#N)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001423488266 1173370965 /nfs/dbraw/zinc/37/09/65/1173370965.db2.gz BNCCUTZAXKVXEP-CYBMUJFWSA-N 0 3 323.437 2.152 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(CCCc2ccsc2)C1 ZINC001423573743 1173419686 /nfs/dbraw/zinc/41/96/86/1173419686.db2.gz VVICKDIURBRZGQ-CZUORRHYSA-N 0 3 305.447 2.421 20 30 DEEDHN COCCN(CCNC(=O)[C@@H](C)C#N)Cc1c(C)cccc1C ZINC001423628400 1173454572 /nfs/dbraw/zinc/45/45/72/1173454572.db2.gz OGIKNXNOVNHEPY-INIZCTEOSA-N 0 3 317.433 2.028 20 30 DEEDHN C[C@H](CN(C)C(=O)C(C)(F)F)NCc1ccc(C#N)s1 ZINC001425530220 1174353320 /nfs/dbraw/zinc/35/33/20/1174353320.db2.gz NKVRPNJCJLONTF-SECBINFHSA-N 0 3 301.362 2.211 20 30 DEEDHN C=C(Cl)Cn1c(CC)nnc1N1CCN(CC(C)C)CC1 ZINC001433247541 1177739241 /nfs/dbraw/zinc/73/92/41/1177739241.db2.gz LHJRRAKJAQEHIC-UHFFFAOYSA-N 0 3 311.861 2.371 20 30 DEEDHN CCCC(=O)NC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001436377515 1179069342 /nfs/dbraw/zinc/06/93/42/1179069342.db2.gz LFBYHIIMXUENMS-OTVXOJSOSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1nc(CN[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)sc1C ZINC001436419286 1179089338 /nfs/dbraw/zinc/08/93/38/1179089338.db2.gz VFZCEZJUTSDJPZ-DDTOSNHZSA-N 0 3 320.462 2.294 20 30 DEEDHN CO[C@@H](C)CC(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001437372151 1179769618 /nfs/dbraw/zinc/76/96/18/1179769618.db2.gz ZTYJGRUGJWTJBL-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(OC)ns1 ZINC001437374296 1179771270 /nfs/dbraw/zinc/77/12/70/1179771270.db2.gz SWSZSGNLIOLUSS-VIFPVBQESA-N 0 3 303.815 2.002 20 30 DEEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)C1(C)CC1 ZINC001438491286 1180492436 /nfs/dbraw/zinc/49/24/36/1180492436.db2.gz IDGXEJAMRNWXOQ-LBPRGKRZSA-N 0 3 303.381 2.339 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)CCC(F)F ZINC001438506250 1180507440 /nfs/dbraw/zinc/50/74/40/1180507440.db2.gz GKUODBCXNPXBAL-GFCCVEGCSA-N 0 3 309.360 2.445 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccco1 ZINC001439183751 1180919666 /nfs/dbraw/zinc/91/96/66/1180919666.db2.gz DFJMVERLOXWLLU-NSHDSACASA-N 0 3 301.321 2.198 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C[C@@H]1CCCCO1 ZINC001439204628 1180935553 /nfs/dbraw/zinc/93/55/53/1180935553.db2.gz YQFQXOFFTHUPMY-STQMWFEESA-N 0 3 321.446 2.173 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)CC1(C)CC1 ZINC001439242242 1180962134 /nfs/dbraw/zinc/96/21/34/1180962134.db2.gz YTYCUZRKHMRPGI-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2(NCc3cccc(F)c3)CC2)[nH]1 ZINC001439606202 1181168092 /nfs/dbraw/zinc/16/80/92/1181168092.db2.gz WRSLQVFMQKCKQW-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001439933439 1181312665 /nfs/dbraw/zinc/31/26/65/1181312665.db2.gz KXWCNCODFYFTET-HNAYVOBHSA-N 0 3 324.428 2.436 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(COC)CCC2)C1 ZINC001440394516 1181477547 /nfs/dbraw/zinc/47/75/47/1181477547.db2.gz QBGKJGKBEYKLFL-UONOGXRCSA-N 0 3 314.857 2.430 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001440949573 1181792574 /nfs/dbraw/zinc/79/25/74/1181792574.db2.gz CFLRJKYOKWMDML-XJKSGUPXSA-N 0 3 305.397 2.489 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001441501649 1182027354 /nfs/dbraw/zinc/02/73/54/1182027354.db2.gz NFHPPDYMICIVCK-HZSPNIEDSA-N 0 3 307.344 2.182 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001441630965 1182100163 /nfs/dbraw/zinc/10/01/63/1182100163.db2.gz JKMBHSWCQVJFNX-GJZGRUSLSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@@H](CNC(=O)C1CC2(CC2)C1)NCc1ccc(C#N)c(F)c1 ZINC001441944802 1182262377 /nfs/dbraw/zinc/26/23/77/1182262377.db2.gz LZDPIHRAWMJECP-LBPRGKRZSA-N 0 3 315.392 2.482 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)[C@H](C)C(C)C)cc1C#N ZINC001441965743 1182271882 /nfs/dbraw/zinc/27/18/82/1182271882.db2.gz BNKIDDNZJUPLNM-ZIAGYGMSSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC[C@@H]2CCOC2)C1 ZINC001442231804 1182381415 /nfs/dbraw/zinc/38/14/15/1182381415.db2.gz PFGJYVIXFWTENW-IYXRBSQSSA-N 0 3 300.830 2.135 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001442234716 1182382380 /nfs/dbraw/zinc/38/23/80/1182382380.db2.gz VVMWWEFAWOCONA-XGNXJENSSA-N 0 3 318.421 2.345 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1cc[nH]c1 ZINC001442259075 1182394601 /nfs/dbraw/zinc/39/46/01/1182394601.db2.gz HBNIVJPIGGSQHU-SNVBAGLBSA-N 0 3 300.200 2.021 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2[nH]ccc2c1 ZINC001442266892 1182395895 /nfs/dbraw/zinc/39/58/95/1182395895.db2.gz QCPBMSWVBNHRBF-LLVKDONJSA-N 0 3 306.797 2.365 20 30 DEEDHN COCC(C)(C)C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001442278268 1182401847 /nfs/dbraw/zinc/40/18/47/1182401847.db2.gz XROORGHQIXMFGC-AWEZNQCLSA-N 0 3 317.433 2.215 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001442995336 1182822200 /nfs/dbraw/zinc/82/22/00/1182822200.db2.gz ORFUPHTUUODESD-ZDUSSCGKSA-N 0 3 310.401 2.408 20 30 DEEDHN CC[C@H](CNC(=O)C[C@H](C)OC)NCc1ccc(C#N)s1 ZINC001443901822 1183194767 /nfs/dbraw/zinc/19/47/67/1183194767.db2.gz CFHZDFSYVDELRF-NWDGAFQWSA-N 0 3 309.435 2.029 20 30 DEEDHN COc1ccc(F)cc1CN[C@H](CNC(=O)[C@H](C)C#N)C(C)C ZINC001444859370 1183599395 /nfs/dbraw/zinc/59/93/95/1183599395.db2.gz IHFIXIPGMFKXDQ-IUODEOHRSA-N 0 3 321.396 2.224 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C(C)C ZINC001444924614 1183650443 /nfs/dbraw/zinc/65/04/43/1183650443.db2.gz CWLMHRFLQWZJCA-GXTWGEPZSA-N 0 3 312.845 2.007 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001445506964 1183887662 /nfs/dbraw/zinc/88/76/62/1183887662.db2.gz YMMSYOCUILNDCI-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1cc(F)cc(F)c1)C1CC1 ZINC001445936244 1184137248 /nfs/dbraw/zinc/13/72/48/1184137248.db2.gz KTURIWICHUNKHW-MEBBXXQBSA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccc(CC)cn2)C1 ZINC001447811757 1184880448 /nfs/dbraw/zinc/88/04/48/1184880448.db2.gz ODPBGJYBJFHONF-UHFFFAOYSA-N 0 3 321.852 2.423 20 30 DEEDHN CN(C)[C@@H]1CCC[C@H]1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001448077528 1185061539 /nfs/dbraw/zinc/06/15/39/1185061539.db2.gz GLMPBPRCPSKZQK-UHUXCJHTSA-N 0 3 304.365 2.007 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC(C)(C)COC)C1 ZINC001448518172 1185269879 /nfs/dbraw/zinc/26/98/79/1185269879.db2.gz BUGYOXLAIRJAJS-JOCQHMNTSA-N 0 3 302.846 2.286 20 30 DEEDHN CCN(C(=O)C#CCOC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001347374694 1151060240 /nfs/dbraw/zinc/06/02/40/1151060240.db2.gz UANCTUMFIYEOKK-FUHWJXTLSA-N 0 3 314.429 2.320 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)c(C)c2)C1 ZINC001332029304 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C=CCN(C)CCN(C(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21)C(C)C ZINC001332722397 1149884768 /nfs/dbraw/zinc/88/47/68/1149884768.db2.gz HKMTXEZNKSJONK-HOCLYGCPSA-N 0 3 318.465 2.430 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC001332938024 1149927870 /nfs/dbraw/zinc/92/78/70/1149927870.db2.gz AOXZKUCFSVRTFW-AAEUAGOBSA-N 0 3 305.353 2.052 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N(C)C1CC(NCc2cncs2)C1 ZINC001333043849 1149970823 /nfs/dbraw/zinc/97/08/23/1149970823.db2.gz XOIZBKJKCCSSRR-HSBZDZAISA-N 0 3 323.462 2.203 20 30 DEEDHN CC#CCCCC(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC001333108412 1150000753 /nfs/dbraw/zinc/00/07/53/1150000753.db2.gz QIMAIXWSGRAEGP-UHFFFAOYSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)nc2)CC(C)(C)C1 ZINC001089335475 782773484 /nfs/dbraw/zinc/77/34/84/782773484.db2.gz PDIBAQBMUXFQGZ-CQSZACIVSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc(C)s2)CC(C)(C)C1 ZINC001089337839 782806292 /nfs/dbraw/zinc/80/62/92/782806292.db2.gz AXDKLWFXMRUCPB-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN CCCCCCN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212248996 783235010 /nfs/dbraw/zinc/23/50/10/783235010.db2.gz SHBRKQITLRWNJW-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCCCF)C[C@H]1OC ZINC001213270953 783281576 /nfs/dbraw/zinc/28/15/76/783281576.db2.gz AFAFOLDPHLCNTA-ZIAGYGMSSA-N 0 3 300.418 2.154 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)CC(C)(C)C1 ZINC001089388805 783063659 /nfs/dbraw/zinc/06/36/59/783063659.db2.gz HKGDQSMXWLYPNO-IKGGRYGDSA-N 0 3 320.477 2.288 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccns2)CC(C)(C)C1 ZINC001089401695 783069799 /nfs/dbraw/zinc/06/97/99/783069799.db2.gz WYCZDCIBVKSMKH-ZDUSSCGKSA-N 0 3 305.447 2.387 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)o2)CC(C)(C)C1 ZINC001089408611 783076960 /nfs/dbraw/zinc/07/69/60/783076960.db2.gz JLUPETFOIJEKAE-AWEZNQCLSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cncn2-c2ccccc2)C[C@H]1C ZINC000947392235 783124924 /nfs/dbraw/zinc/12/49/24/783124924.db2.gz VASUSQPOPZBYDO-CVEARBPZSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c[nH]nc32)CC(C)(C)C1 ZINC001089456845 783122445 /nfs/dbraw/zinc/12/24/45/783122445.db2.gz MTQMIMJAQAHSTC-HNNXBMFYSA-N 0 3 324.428 2.417 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC000947404474 783127401 /nfs/dbraw/zinc/12/74/01/783127401.db2.gz PDOAQOFVSPDYRW-NEPJUHHUSA-N 0 3 314.389 2.037 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1C ZINC000947487558 783149930 /nfs/dbraw/zinc/14/99/30/783149930.db2.gz FXBYHSXYNQYQRV-ZIAGYGMSSA-N 0 3 316.449 2.313 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)C[C@H]1C ZINC000947509307 783156304 /nfs/dbraw/zinc/15/63/04/783156304.db2.gz CRIRZRRPDZAZKL-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(OC)c2)C[C@@H]1C ZINC000947518942 783158863 /nfs/dbraw/zinc/15/88/63/783158863.db2.gz AMWDLNLLFOWPAM-HOCLYGCPSA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc3ccncc32)C[C@@H]1C ZINC000947575440 783178979 /nfs/dbraw/zinc/17/89/79/783178979.db2.gz ASFRIYXWWGYFCC-UONOGXRCSA-N 0 3 310.401 2.399 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncccc2F)CC(C)(C)C1 ZINC001089529330 783185146 /nfs/dbraw/zinc/18/51/46/783185146.db2.gz RZVQTCIKOLZPRX-CQSZACIVSA-N 0 3 317.408 2.464 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3onc(C)c3c2)C[C@H]1C ZINC000947597595 783185765 /nfs/dbraw/zinc/18/57/65/783185765.db2.gz ILEWUZMPXMMMFW-BXUZGUMPSA-N 0 3 314.389 2.300 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)o2)CC(C)(C)C1 ZINC001089529058 783185877 /nfs/dbraw/zinc/18/58/77/783185877.db2.gz QMDBVCTYAQHCQM-ZDUSSCGKSA-N 0 3 304.390 2.142 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2oncc2C)CC(C)(C)C1 ZINC001089534157 783192203 /nfs/dbraw/zinc/19/22/03/783192203.db2.gz PSHPSIBCQCQVEL-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3nccn3c2)CC(C)(C)C1 ZINC001089537895 783193057 /nfs/dbraw/zinc/19/30/57/783193057.db2.gz 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ZINC001073026727 790398540 /nfs/dbraw/zinc/39/85/40/790398540.db2.gz NXRIWEMUSJBQHR-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)C1 ZINC001073040241 790410375 /nfs/dbraw/zinc/41/03/75/790410375.db2.gz YVFIWDRLPQYMQS-FGTMMUONSA-N 0 3 308.425 2.293 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](O)C1 ZINC001090690800 790445664 /nfs/dbraw/zinc/44/56/64/790445664.db2.gz UOFFZDYRWVGWDI-CVEARBPZSA-N 0 3 320.433 2.453 20 30 DEEDHN C=CCCC(=O)NC1(C)CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001073115670 790464761 /nfs/dbraw/zinc/46/47/61/790464761.db2.gz MSMMRULJNCNWCO-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H](C)c3cccs3)[C@H]2C1 ZINC001083191104 776620885 /nfs/dbraw/zinc/62/08/85/776620885.db2.gz LRXCCDOFAKXVAQ-QLFBSQMISA-N 0 3 320.458 2.339 20 30 DEEDHN C#CCCCN1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001209266894 776684560 /nfs/dbraw/zinc/68/45/60/776684560.db2.gz FSNQGMVMDSVWPU-IPMKNSEASA-N 0 3 314.429 2.491 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3ccc(C=C)cc3)[C@H]2C1 ZINC001083202298 776884349 /nfs/dbraw/zinc/88/43/49/776884349.db2.gz MUMBOTQZIMCOJL-ZWKOTPCHSA-N 0 3 312.413 2.431 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@@H](O)C1 ZINC001090759283 790493705 /nfs/dbraw/zinc/49/37/05/790493705.db2.gz HCBYXDUZBFOCHY-IRXDYDNUSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)ccc2C)[C@H](O)C1 ZINC001090759282 790494757 /nfs/dbraw/zinc/49/47/57/790494757.db2.gz HCBYXDUZBFOCHY-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@H](C)CC)c1 ZINC001167405581 776994650 /nfs/dbraw/zinc/99/46/50/776994650.db2.gz GQCJBQNJHSIBJD-CYBMUJFWSA-N 0 3 301.390 2.294 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccco1)C[C@@H](C)O2 ZINC001098556767 777206684 /nfs/dbraw/zinc/20/66/84/777206684.db2.gz DEHHALROALMZEC-CQSZACIVSA-N 0 3 304.390 2.161 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001167591686 777364236 /nfs/dbraw/zinc/36/42/36/777364236.db2.gz LCSIOVJHWQJFMC-PWSUYJOCSA-N 0 3 303.244 2.427 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C[C@H](C)c3ccco3)[C@H]2C1 ZINC001083250419 777388311 /nfs/dbraw/zinc/38/83/11/777388311.db2.gz QACXHITUYMWQQE-YQQAZPJKSA-N 0 3 318.417 2.261 20 30 DEEDHN COC(=O)[C@H](CS)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001167623376 777402094 /nfs/dbraw/zinc/40/20/94/777402094.db2.gz MXTPJVJIVJLBFI-AWEZNQCLSA-N 0 3 312.410 2.305 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001167659460 777448945 /nfs/dbraw/zinc/44/89/45/777448945.db2.gz NWXHPRALEQWDHY-UHFFFAOYSA-N 0 3 319.792 2.402 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@H]1c1ccccc1 ZINC001211574866 777470459 /nfs/dbraw/zinc/47/04/59/777470459.db2.gz OVNZMGJQNJZFRF-HYVNUMGLSA-N 0 3 316.470 2.345 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C=C1CCC1)C[C@@H](C)O2 ZINC001098583077 777636139 /nfs/dbraw/zinc/63/61/39/777636139.db2.gz JFRFEQWZYKDYAW-OAHLLOKOSA-N 0 3 304.434 2.365 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccccc3O)C(C)(C)[C@H]21 ZINC001087270682 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C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc[nH]c3CC)C(C)(C)[C@H]21 ZINC001087284674 777726241 /nfs/dbraw/zinc/72/62/41/777726241.db2.gz MBBBHPIXRFQMDG-PVAVHDDUSA-N 0 3 313.445 2.429 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccsn3)C(C)(C)[C@@H]21 ZINC001087291236 777737799 /nfs/dbraw/zinc/73/77/99/777737799.db2.gz QOBVHRHYGZXDGS-BPLDGKMQSA-N 0 3 317.458 2.385 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(F)c[nH]1 ZINC001087297702 777744273 /nfs/dbraw/zinc/74/42/73/777744273.db2.gz SCHOJPVGPBGKKO-VHDGCEQUSA-N 0 3 303.381 2.006 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C(C)(C)[C@@H]21 ZINC001087300748 777748924 /nfs/dbraw/zinc/74/89/24/777748924.db2.gz QEJCLIKLYCBONF-VCCANDMLSA-N 0 3 300.446 2.271 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(CC)on1 ZINC001087314714 777775221 /nfs/dbraw/zinc/77/52/21/777775221.db2.gz PPUBBCWTLHXKHG-VNQPRFMTSA-N 0 3 315.417 2.089 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC#Cc2ccccc2)C1 ZINC001111999766 777943007 /nfs/dbraw/zinc/94/30/07/777943007.db2.gz ZWMBWJNLWHPGAA-ICSRJNTNSA-N 0 3 306.409 2.032 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C)C1 ZINC001112064414 778257934 /nfs/dbraw/zinc/25/79/34/778257934.db2.gz CEPKJGQAJHASGV-YNEHKIRRSA-N 0 3 320.355 2.133 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001073339740 790605606 /nfs/dbraw/zinc/60/56/06/790605606.db2.gz DRJCGXWIBNMLND-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105310290 778437360 /nfs/dbraw/zinc/43/73/60/778437360.db2.gz WQEAUTQUCZLDCL-CQSZACIVSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H](C)C1)CCO2 ZINC000949205646 778777176 /nfs/dbraw/zinc/77/71/76/778777176.db2.gz ZJSYHKOBXLFGQT-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)n3nc(C)cc3C)C2)C1 ZINC001073433974 790652899 /nfs/dbraw/zinc/65/28/99/790652899.db2.gz YBXSWDHIKARCPV-INIZCTEOSA-N 0 3 316.449 2.171 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 ZINC001211800485 778859719 /nfs/dbraw/zinc/85/97/19/778859719.db2.gz YCOWZYAPXGCCNM-HZPDHXFCSA-N 0 3 321.421 2.158 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC001073478200 790680897 /nfs/dbraw/zinc/68/08/97/790680897.db2.gz DCBNFSLNWBMQJX-UHFFFAOYSA-N 0 3 308.425 2.347 20 30 DEEDHN CC[C@@H]1[C@@H](NC(C)=O)CCN1Cc1ccc(OCC#N)cc1 ZINC001087478191 779151492 /nfs/dbraw/zinc/15/14/92/779151492.db2.gz DXYPFPANTJHSNT-DLBZAZTESA-N 0 3 301.390 2.078 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2snnc2C)[C@H]1CC ZINC001087499221 779206062 /nfs/dbraw/zinc/20/60/62/779206062.db2.gz IELHCYPVVSXMBA-QWHCGFSZSA-N 0 3 308.451 2.395 20 30 DEEDHN C=C(C)CCN1C[C@@H]2CCN(C(=O)c3cc(OC)ns3)[C@@H]2C1 ZINC001075806424 779303946 /nfs/dbraw/zinc/30/39/46/779303946.db2.gz LJKGOQUEXFDXGH-QWHCGFSZSA-N 0 3 321.446 2.264 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1CC ZINC001087787202 779451059 /nfs/dbraw/zinc/45/10/59/779451059.db2.gz MIRCCSRGSYQFNO-UONOGXRCSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)[C@H]1CC ZINC001087798197 779456274 /nfs/dbraw/zinc/45/62/74/779456274.db2.gz GPOKITKZOSUZNK-LZLYRXPVSA-N 0 3 314.429 2.454 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@H]1CC ZINC001087814337 779461943 /nfs/dbraw/zinc/46/19/43/779461943.db2.gz IJUJAXOLXKINID-DOTOQJQBSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]1CC ZINC001087815669 779463652 /nfs/dbraw/zinc/46/36/52/779463652.db2.gz WXBLZYNERFMZBZ-JKSUJKDBSA-N 0 3 304.821 2.485 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2N(C)C)[C@H]1CC ZINC001087827529 779471006 /nfs/dbraw/zinc/47/10/06/779471006.db2.gz XYSBWGQPTWQJKJ-JKSUJKDBSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)[C@H]1CC ZINC001087834148 779475344 /nfs/dbraw/zinc/47/53/44/779475344.db2.gz NUUXBBAVXIFWKA-XHSDSOJGSA-N 0 3 318.392 2.284 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1CC ZINC001087845755 779482322 /nfs/dbraw/zinc/48/23/22/779482322.db2.gz QMQCFXCRGWJLFR-QWHCGFSZSA-N 0 3 305.447 2.312 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccc(C)c3F)[C@@H]2C1 ZINC001075822597 779486110 /nfs/dbraw/zinc/48/61/10/779486110.db2.gz ZCRSHHHFKDIDSN-GOEBONIOSA-N 0 3 300.377 2.304 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cccc(F)c2)C1 ZINC001073524367 790709575 /nfs/dbraw/zinc/70/95/75/790709575.db2.gz GQAGGRAURKATAH-INIZCTEOSA-N 0 3 306.381 2.223 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001073532606 790714193 /nfs/dbraw/zinc/71/41/93/790714193.db2.gz VFFPZDGKMMTCHV-OAHLLOKOSA-N 0 3 306.406 2.293 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211886019 779556242 /nfs/dbraw/zinc/55/62/42/779556242.db2.gz BQRMVLGBHNMDFZ-RRFJBIMHSA-N 0 3 314.495 2.298 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cscc2C)C1 ZINC001073563472 790722604 /nfs/dbraw/zinc/72/26/04/790722604.db2.gz DCPGIKBBGCOXEK-CQSZACIVSA-N 0 3 308.447 2.453 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(F)c3)C[C@@H]2C1 ZINC001088117110 779711412 /nfs/dbraw/zinc/71/14/12/779711412.db2.gz HGPGBONBXZECKB-ZBFHGGJFSA-N 0 3 300.377 2.161 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3csc(C)c3)C[C@@H]2C1 ZINC001088140470 779724312 /nfs/dbraw/zinc/72/43/12/779724312.db2.gz NIRYOHUNASSSMC-ZBFHGGJFSA-N 0 3 302.443 2.474 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3F)C[C@@H]2C1 ZINC001088143984 779726476 /nfs/dbraw/zinc/72/64/76/779726476.db2.gz NZQIOCKWUDOFAI-OAGGEKHMSA-N 0 3 314.404 2.343 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3sc(C)cc3C)C[C@@H]2C1 ZINC001088185821 779763013 /nfs/dbraw/zinc/76/30/13/779763013.db2.gz UQDHIFSBTLJMTB-CVEARBPZSA-N 0 3 316.470 2.321 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001088228928 779784272 /nfs/dbraw/zinc/78/42/72/779784272.db2.gz DMHBTPMCHNYLAE-AEFFLSMTSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)[C@H]3CC34CC4)CC2)C1 ZINC001088237723 779794945 /nfs/dbraw/zinc/79/49/45/779794945.db2.gz BKKBRUWFYMLTCD-DLBZAZTESA-N 0 3 318.461 2.302 20 30 DEEDHN CCc1[nH]ccc1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001126614171 779867255 /nfs/dbraw/zinc/86/72/55/779867255.db2.gz MAKITYONUOZSMB-UHFFFAOYSA-N 0 3 314.364 2.107 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001073623325 790748724 /nfs/dbraw/zinc/74/87/24/790748724.db2.gz DSAPLSWHYIHZLA-KRWDZBQOSA-N 0 3 302.418 2.068 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001073631355 790754224 /nfs/dbraw/zinc/75/42/24/790754224.db2.gz PKAHLBNRNNWPTK-KBPBESRZSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001059858545 780452429 /nfs/dbraw/zinc/45/24/29/780452429.db2.gz VNRNWJFVXHUIHC-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001073696733 790797459 /nfs/dbraw/zinc/79/74/59/790797459.db2.gz NFJKRGHJBATEJA-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3c2OCCO3)[C@H]1C ZINC001088604793 780574080 /nfs/dbraw/zinc/57/40/80/780574080.db2.gz RSJJSENFKQCHQI-HIFRSBDPSA-N 0 3 316.401 2.227 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)[C@H]1C ZINC001088614240 780618422 /nfs/dbraw/zinc/61/84/22/780618422.db2.gz ADNUXBOWCUWHKW-HIFRSBDPSA-N 0 3 300.402 2.374 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(CC)noc2CC)[C@H]1C ZINC001088628414 780668096 /nfs/dbraw/zinc/66/80/96/780668096.db2.gz RBJMEOXKOHMJMB-CJNGLKHVSA-N 0 3 319.449 2.497 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)[C@H]1C ZINC001088654737 780691791 /nfs/dbraw/zinc/69/17/91/780691791.db2.gz XJMQYUJFINEBBL-RYRKJORJSA-N 0 3 313.445 2.278 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)nc2C2CCC2)[C@H]1C ZINC001088677671 780706082 /nfs/dbraw/zinc/70/60/82/780706082.db2.gz XIVULZUIUDJZFH-CJNGLKHVSA-N 0 3 316.449 2.456 20 30 DEEDHN Cc1nc(C(C)C)ccc1CNCCNC(=O)C#CC(C)C ZINC001126828618 780962326 /nfs/dbraw/zinc/96/23/26/780962326.db2.gz ZVIWDUWOVYBBCS-UHFFFAOYSA-N 0 3 301.434 2.379 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC001088823100 781059071 /nfs/dbraw/zinc/05/90/71/781059071.db2.gz WECIOABYXQJOTD-HIFRSBDPSA-N 0 3 305.422 2.110 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001073756010 790848741 /nfs/dbraw/zinc/84/87/41/790848741.db2.gz QDXRBUBRHOSZEI-GPANFISMSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001073758493 790850924 /nfs/dbraw/zinc/85/09/24/790850924.db2.gz OBCWWIPZHCOSGP-LBPRGKRZSA-N 0 3 311.813 2.065 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCC(C)(C)CO3)[C@@H]2C1 ZINC001076059594 781098670 /nfs/dbraw/zinc/09/86/70/781098670.db2.gz IMQMCSPEJICHLZ-HRCADAONSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4ccccc4nn3)[C@@H]2C1 ZINC001076110958 781125890 /nfs/dbraw/zinc/12/58/90/781125890.db2.gz CKDQGJWNRSMEOA-MAUKXSAKSA-N 0 3 322.412 2.352 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C1 ZINC001076277683 781189684 /nfs/dbraw/zinc/18/96/84/781189684.db2.gz VZGSIQHUMGMBKE-XJKSGUPXSA-N 0 3 300.406 2.010 20 30 DEEDHN CC#CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc4c[nH]nc43)[C@@H]2C1 ZINC001076361996 781233075 /nfs/dbraw/zinc/23/30/75/781233075.db2.gz VNPUODWSKJWWNA-WMLDXEAASA-N 0 3 322.412 2.041 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3c(C)cccc3C)[C@@H]2C1 ZINC001076542814 781305754 /nfs/dbraw/zinc/30/57/54/781305754.db2.gz FHCNGRYNOPUYTA-DLBZAZTESA-N 0 3 314.429 2.401 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3cccc(F)c3)[C@@H]2C1 ZINC001076563734 781310581 /nfs/dbraw/zinc/31/05/81/781310581.db2.gz JYUIBTNPGBUZHU-WMLDXEAASA-N 0 3 318.392 2.313 20 30 DEEDHN C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001076666812 781343062 /nfs/dbraw/zinc/34/30/62/781343062.db2.gz YJHAEIGXVAMDLZ-HOCLYGCPSA-N 0 3 323.481 2.106 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cnoc2C(C)C)C1 ZINC001073843732 790910711 /nfs/dbraw/zinc/91/07/11/790910711.db2.gz CVWZVLLRVPAQJQ-CQSZACIVSA-N 0 3 321.421 2.195 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(Cl)cn2)C1 ZINC001073863647 790922998 /nfs/dbraw/zinc/92/29/98/790922998.db2.gz XNFCBIVXCLUODJ-CQSZACIVSA-N 0 3 323.824 2.132 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CCC)c2C)C[C@H]1C ZINC000947851981 783247806 /nfs/dbraw/zinc/24/78/06/783247806.db2.gz DBGTYLFGRXTXPY-HIFRSBDPSA-N 0 3 304.438 2.370 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(CCC)c2C)C[C@@H]1C ZINC000947853700 783247826 /nfs/dbraw/zinc/24/78/26/783247826.db2.gz UZIHIMLPCORJDI-HOCLYGCPSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C[C@@H]1C ZINC000947885994 783257397 /nfs/dbraw/zinc/25/73/97/783257397.db2.gz FBQMJNPVKURGQT-LSDHHAIUSA-N 0 3 314.404 2.460 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C[C@@H]1C ZINC000947988935 783285932 /nfs/dbraw/zinc/28/59/32/783285932.db2.gz GKSOISQMWJFBKY-YOEHRIQHSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001089682845 783350159 /nfs/dbraw/zinc/35/01/59/783350159.db2.gz JXRAHVALEMJEBI-LLVKDONJSA-N 0 3 309.435 2.255 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccon1 ZINC001089779173 783429384 /nfs/dbraw/zinc/42/93/84/783429384.db2.gz PVLZSHJTDNTYDM-XPCVCDNBSA-N 0 3 321.808 2.210 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccccc2COC)CC1 ZINC000948574772 783508314 /nfs/dbraw/zinc/50/83/14/783508314.db2.gz KHNOUFAHUQPRLZ-KRWDZBQOSA-N 0 3 314.429 2.393 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2nncc3ccccc32)CC1 ZINC000948608173 783524256 /nfs/dbraw/zinc/52/42/56/783524256.db2.gz LWYIBXXBANSRBN-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2nc(C)n3ccccc23)CC1 ZINC000948617592 783530900 /nfs/dbraw/zinc/53/09/00/783530900.db2.gz SLBSGYLKCLBFMD-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN CCCCO[C@H](C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001124459559 783543934 /nfs/dbraw/zinc/54/39/34/783543934.db2.gz MKYBTFZZWQEKFY-CYBMUJFWSA-N 0 3 321.396 2.108 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccnc3ccncc32)CC1 ZINC000948647173 783548581 /nfs/dbraw/zinc/54/85/81/783548581.db2.gz FDVNVBXSTPVSEN-OAHLLOKOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C(C)C)on2)CC1 ZINC000948652036 783550350 /nfs/dbraw/zinc/55/03/50/783550350.db2.gz IPEKDYNGWWTOBB-CQSZACIVSA-N 0 3 303.406 2.358 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)c3ccccn3)C2)ccc1F ZINC000966127585 783574095 /nfs/dbraw/zinc/57/40/95/783574095.db2.gz KJLFFXKLUFOSNA-OAHLLOKOSA-N 0 3 324.359 2.097 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC001085256311 783607056 /nfs/dbraw/zinc/60/70/56/783607056.db2.gz YECHXHDLJUGWDU-ZIAGYGMSSA-N 0 3 322.840 2.282 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(=O)[nH]c1 ZINC001085276696 783615649 /nfs/dbraw/zinc/61/56/49/783615649.db2.gz WHRPGVGKEIRLPP-ZIAGYGMSSA-N 0 3 323.824 2.099 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=C)Cl)c1 ZINC001085326150 783640906 /nfs/dbraw/zinc/64/09/06/783640906.db2.gz YWUWXYLCEIPLPP-HZPDHXFCSA-N 0 3 317.820 2.446 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)cn1)C2 ZINC001098307916 783670258 /nfs/dbraw/zinc/67/02/58/783670258.db2.gz YIPOFSVDHXFJOX-NXHRZFHOSA-N 0 3 309.413 2.317 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC000966493801 783675262 /nfs/dbraw/zinc/67/52/62/783675262.db2.gz VTWASKQDZWWLSL-HZPDHXFCSA-N 0 3 316.449 2.003 20 30 DEEDHN COc1ccc(CN[C@@H]2CCN(C(=O)C=C(C)C)C2)cc1C#N ZINC000966621331 783711629 /nfs/dbraw/zinc/71/16/29/783711629.db2.gz IAOPUOOXVXYKOM-MRXNPFEDSA-N 0 3 313.401 2.224 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC001333668611 1150076279 /nfs/dbraw/zinc/07/62/79/1150076279.db2.gz NUAXOKFZJKPHRW-GOOCMWNKSA-N 0 3 309.479 2.363 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001085635746 783912394 /nfs/dbraw/zinc/91/23/94/783912394.db2.gz YPWBEESKLXPRCI-NSHDSACASA-N 0 3 310.829 2.348 20 30 DEEDHN N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000967263251 783914688 /nfs/dbraw/zinc/91/46/88/783914688.db2.gz GNAJDNAKFSJDBL-MRXNPFEDSA-N 0 3 321.380 2.268 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000967339576 783957812 /nfs/dbraw/zinc/95/78/12/783957812.db2.gz SWADSTZGBORSST-ACJLOTCBSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC000967357717 783963401 /nfs/dbraw/zinc/96/34/01/783963401.db2.gz NTQDDXRQKSJQEO-DYVFJYSZSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC001085704515 783988061 /nfs/dbraw/zinc/98/80/61/783988061.db2.gz RSABJQJDQUOAAZ-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC000967414807 783989865 /nfs/dbraw/zinc/98/98/65/783989865.db2.gz NHYGXASJVVOQBW-WBVHZDCISA-N 0 3 318.465 2.409 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC000967423626 783994764 /nfs/dbraw/zinc/99/47/64/783994764.db2.gz HMHIPQRCEKHADO-RDTXWAMCSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001085722694 784017073 /nfs/dbraw/zinc/01/70/73/784017073.db2.gz FFUAKXUOQFTPOE-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085750769 784040325 /nfs/dbraw/zinc/04/03/25/784040325.db2.gz OJOIDMMDMBAQBE-LBPRGKRZSA-N 0 3 310.829 2.104 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967652276 784081721 /nfs/dbraw/zinc/08/17/21/784081721.db2.gz AZFWQFKOIKPDLX-GUYCJALGSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1occc1CN(C)C ZINC001085787944 784081866 /nfs/dbraw/zinc/08/18/66/784081866.db2.gz AHEKMTDPLCFRST-INIZCTEOSA-N 0 3 319.449 2.454 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001085836215 784118993 /nfs/dbraw/zinc/11/89/93/784118993.db2.gz DUEOEGAQQZIJKE-CQSZACIVSA-N 0 3 302.422 2.400 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)nn1CC ZINC001085834226 784122644 /nfs/dbraw/zinc/12/26/44/784122644.db2.gz FHLKZUFXGWXBBS-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852550 784139318 /nfs/dbraw/zinc/13/93/18/784139318.db2.gz ZTBKFIWWHKBEKO-AWEZNQCLSA-N 0 3 300.406 2.076 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@H]2CCN2CCC)cc1 ZINC001085857717 784145335 /nfs/dbraw/zinc/14/53/35/784145335.db2.gz GGWLWRLBFALHTG-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967993463 784197603 /nfs/dbraw/zinc/19/76/03/784197603.db2.gz KBZVHAFOZUKLRU-YOEHRIQHSA-N 0 3 301.434 2.280 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cncnc1C(C)C ZINC001085976001 784275814 /nfs/dbraw/zinc/27/58/14/784275814.db2.gz LFDMQLNLOSVHLN-CQSZACIVSA-N 0 3 302.422 2.322 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001085981642 784282057 /nfs/dbraw/zinc/28/20/57/784282057.db2.gz QMIKBLVVLYOCDD-ZBFHGGJFSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001085986693 784284056 /nfs/dbraw/zinc/28/40/56/784284056.db2.gz KYWVUWAJXDITMP-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000968321293 784287190 /nfs/dbraw/zinc/28/71/90/784287190.db2.gz ICIQGPVAQRSPPM-WFASDCNBSA-N 0 3 303.406 2.112 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC000968331064 784294521 /nfs/dbraw/zinc/29/45/21/784294521.db2.gz JODFOENPERRBQE-RHSMWYFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001086006647 784311493 /nfs/dbraw/zinc/31/14/93/784311493.db2.gz KRJPMIKMAKNWDA-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C/C=C(\C)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000968363320 784324519 /nfs/dbraw/zinc/32/45/19/784324519.db2.gz KTRACYUWOXGAAF-NEDLJVEISA-N 0 3 301.365 2.354 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC000968413622 784370950 /nfs/dbraw/zinc/37/09/50/784370950.db2.gz MHVKMEQEWLKAKF-GDBMZVCRSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC000968463685 784402330 /nfs/dbraw/zinc/40/23/30/784402330.db2.gz DRZCCLPPZSRUFC-DZGCQCFKSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001086121471 784422740 /nfs/dbraw/zinc/42/27/40/784422740.db2.gz VKQALMNABIJHOT-BJHJDKERSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000968520417 784442642 /nfs/dbraw/zinc/44/26/42/784442642.db2.gz IJPUHPFYRXUVAG-UKRRQHHQSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000968520417 784442646 /nfs/dbraw/zinc/44/26/46/784442646.db2.gz IJPUHPFYRXUVAG-UKRRQHHQSA-N 0 3 316.449 2.305 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001090406356 784471416 /nfs/dbraw/zinc/47/14/16/784471416.db2.gz FYJUSTFOTQKGNV-KGLIPLIRSA-N 0 3 308.447 2.052 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cncnc2C(C)C)C1 ZINC001086273877 784537007 /nfs/dbraw/zinc/53/70/07/784537007.db2.gz FCVABJLIAOLAFO-BETUJISGSA-N 0 3 322.840 2.451 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001086298871 784558461 /nfs/dbraw/zinc/55/84/61/784558461.db2.gz XIMXVFIILAYJQX-UIBBOPPKSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC000968888446 784637371 /nfs/dbraw/zinc/63/73/71/784637371.db2.gz VENCHZWLAWYJFD-AWEZNQCLSA-N 0 3 319.453 2.194 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001086427782 784720230 /nfs/dbraw/zinc/72/02/30/784720230.db2.gz KMTWRUOVVLQEJQ-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(CCC)c2)C1 ZINC001086493395 784790535 /nfs/dbraw/zinc/79/05/35/784790535.db2.gz FTBFWLZAFFFKRO-MQMHXKEQSA-N 0 3 310.829 2.144 20 30 DEEDHN C=CCCN1CCN(Cc2ccc(CNC(C)=O)cc2)CC1 ZINC001074111592 791058448 /nfs/dbraw/zinc/05/84/48/791058448.db2.gz ZKEDATKJLOODIA-UHFFFAOYSA-N 0 3 301.434 2.016 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)c[nH]1 ZINC001007153785 784861846 /nfs/dbraw/zinc/86/18/46/784861846.db2.gz CLVNLZNOFRPZFK-QGZVFWFLSA-N 0 3 322.412 2.323 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001007319864 784886399 /nfs/dbraw/zinc/88/63/99/784886399.db2.gz NDUPCTAHUQMFLW-CQSZACIVSA-N 0 3 304.438 2.314 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccnn2CC(C)C)C1 ZINC001007439644 784919683 /nfs/dbraw/zinc/91/96/83/784919683.db2.gz CXHXFOQYIQQVRA-HNNXBMFYSA-N 0 3 304.438 2.309 20 30 DEEDHN C[C@H]1C[C@@H](NCc2cncc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168828598 784932558 /nfs/dbraw/zinc/93/25/58/784932558.db2.gz IVCQZSFKSVINGW-SWLSCSKDSA-N 0 3 316.405 2.441 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001007617496 784961943 /nfs/dbraw/zinc/96/19/43/784961943.db2.gz JLBZYNRSMHQVFM-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)Cc2ccco2)c(F)c1 ZINC001168909324 784963680 /nfs/dbraw/zinc/96/36/80/784963680.db2.gz NJUKSVMESCLSMI-UHFFFAOYSA-N 0 3 315.348 2.129 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001007626175 784964913 /nfs/dbraw/zinc/96/49/13/784964913.db2.gz XPPGNGVISIFWTQ-HUUCEWRRSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001156248467 785015966 /nfs/dbraw/zinc/01/59/66/785015966.db2.gz UAXILYQMNYSZRC-CABCVRRESA-N 0 3 317.433 2.332 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001007913374 785046832 /nfs/dbraw/zinc/04/68/32/785046832.db2.gz HHBLYUABEUWLTA-IBGZPJMESA-N 0 3 321.424 2.381 20 30 DEEDHN CC(=O)N1CC[C@@H](N2CCC[C@H](Oc3ccc(C#N)cc3)C2)C1 ZINC001169563489 785244330 /nfs/dbraw/zinc/24/43/30/785244330.db2.gz OQDRRMPXVJJUNI-AEFFLSMTSA-N 0 3 313.401 2.022 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(OC(C)C)n1 ZINC001169637699 785275281 /nfs/dbraw/zinc/27/52/81/785275281.db2.gz FZTFPLKOVZLZQW-UHFFFAOYSA-N 0 3 311.813 2.331 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001008848300 785316992 /nfs/dbraw/zinc/31/69/92/785316992.db2.gz LQTLNCFFCJLMLM-GFCCVEGCSA-N 0 3 321.446 2.007 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001008878671 785321270 /nfs/dbraw/zinc/32/12/70/785321270.db2.gz YLEWJBXUDHQTJB-PBHICJAKSA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001008893755 785326700 /nfs/dbraw/zinc/32/67/00/785326700.db2.gz NBXYSQFGKFZPEI-HNNXBMFYSA-N 0 3 309.413 2.396 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001008999836 785357961 /nfs/dbraw/zinc/35/79/61/785357961.db2.gz AKLPHYMXWFDQJP-INIZCTEOSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001009156175 785398507 /nfs/dbraw/zinc/39/85/07/785398507.db2.gz UVMAXZMFASWFAG-ZDUSSCGKSA-N 0 3 304.438 2.478 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001009363452 785438827 /nfs/dbraw/zinc/43/88/27/785438827.db2.gz ADNSXZHYDVIJAY-FUHWJXTLSA-N 0 3 312.413 2.252 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001009560243 785481554 /nfs/dbraw/zinc/48/15/54/785481554.db2.gz NQERLIHXRJJLIC-CQSZACIVSA-N 0 3 307.825 2.379 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1c[nH]nc1C1CC1 ZINC001170001055 785875498 /nfs/dbraw/zinc/87/54/98/785875498.db2.gz NRYFIXDEKFDGOU-UHFFFAOYSA-N 0 3 323.400 2.068 20 30 DEEDHN C[C@@]12CN(Cc3cccc(C#N)c3)C[C@@H]1CN(C(=O)C1CC1)C2 ZINC001091415785 791149513 /nfs/dbraw/zinc/14/95/13/791149513.db2.gz FKDSFGLQVWJAQS-MJGOQNOKSA-N 0 3 309.413 2.249 20 30 DEEDHN CS[C@@H](C)CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156753562 785900934 /nfs/dbraw/zinc/90/09/34/785900934.db2.gz IRXIWEDZXSZENY-LBPRGKRZSA-N 0 3 323.437 2.435 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156812449 785965033 /nfs/dbraw/zinc/96/50/33/785965033.db2.gz UBQQGEWWKMWCCS-UHFFFAOYSA-N 0 3 317.389 2.384 20 30 DEEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)CC1 ZINC001109682220 785985553 /nfs/dbraw/zinc/98/55/53/785985553.db2.gz YKLDHFSJOIXFJN-FZKCQIBNSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(CC3)C1)C2 ZINC001109701945 785994313 /nfs/dbraw/zinc/99/43/13/785994313.db2.gz NGEDJGVLNUAEHM-PMPSAXMXSA-N 0 3 304.434 2.101 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)[C@H](O)C1 ZINC001090433495 786129068 /nfs/dbraw/zinc/12/90/68/786129068.db2.gz QSLPRKHRDLKZNX-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001086563627 786254239 /nfs/dbraw/zinc/25/42/39/786254239.db2.gz QDIVIEGEXJMNDH-AJNGGQMLSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001112862518 786259265 /nfs/dbraw/zinc/25/92/65/786259265.db2.gz OJLUYTUCVDDWSY-HUUCEWRRSA-N 0 3 304.438 2.023 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)N1CCN(CCCC(C)(C)C)CC1 ZINC001112976926 786344630 /nfs/dbraw/zinc/34/46/30/786344630.db2.gz CEWHHPKRFQLABL-KRWDZBQOSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC(=C)C)C[C@@H]2O)CCCC1 ZINC001100145593 786373285 /nfs/dbraw/zinc/37/32/85/786373285.db2.gz NFXXJLCBCORWRY-HOTGVXAUSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001113254953 786484169 /nfs/dbraw/zinc/48/41/69/786484169.db2.gz VLQILGLCSYJGDH-OAHLLOKOSA-N 0 3 317.433 2.219 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CNC(=O)CCC(C)C)CC1 ZINC001113437629 786598453 /nfs/dbraw/zinc/59/84/53/786598453.db2.gz AMFRCIMQLATPNR-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccnn2C(CC)CC)C1 ZINC001014714797 786718455 /nfs/dbraw/zinc/71/84/55/786718455.db2.gz UVPWJXSLGFVDLI-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnco2)C1 ZINC001086602122 786733786 /nfs/dbraw/zinc/73/37/86/786733786.db2.gz IIFCHIZCAAUFAB-JKSUJKDBSA-N 0 3 311.385 2.449 20 30 DEEDHN N#CC1(c2ccccc2)CCC([NH2+]CCCc2c[n-][nH]c2=O)CC1 ZINC001170359366 786920423 /nfs/dbraw/zinc/92/04/23/786920423.db2.gz SWOHBOKSMOQWGI-LSJNQWAISA-N 0 3 324.428 2.492 20 30 DEEDHN CCOC(=O)C(C#N)Nc1cc(C(=O)OC)c(C)c2[nH]ccc21 ZINC001170377257 786939176 /nfs/dbraw/zinc/93/91/76/786939176.db2.gz IMNUGEHKHHDOIV-ZDUSSCGKSA-N 0 3 315.329 2.130 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2occ3c2CCOC3)C1 ZINC001015395571 787032078 /nfs/dbraw/zinc/03/20/78/787032078.db2.gz AMYBLGNOHIWTON-CQSZACIVSA-N 0 3 304.390 2.123 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001015428922 787047156 /nfs/dbraw/zinc/04/71/56/787047156.db2.gz GJGBSTLSYDTUMQ-OAHLLOKOSA-N 0 3 310.401 2.457 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)cn1 ZINC001086620177 787173064 /nfs/dbraw/zinc/17/30/64/787173064.db2.gz BIVDUYSWZYBDDZ-RBUKOAKNSA-N 0 3 319.408 2.281 20 30 DEEDHN CCc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)cc1 ZINC001114247877 787182534 /nfs/dbraw/zinc/18/25/34/787182534.db2.gz QFIVVSRWRWJHMR-RUYXUALKSA-N 0 3 310.441 2.455 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001015721710 787198495 /nfs/dbraw/zinc/19/84/95/787198495.db2.gz NMDWCTQEEIJEGI-BBWFWOEESA-N 0 3 304.434 2.268 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129396397 787206167 /nfs/dbraw/zinc/20/61/67/787206167.db2.gz BENMFZUXFFGKAD-KFWWJZLASA-N 0 3 319.453 2.020 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(F)ccc2F)s1 ZINC001129491993 787220803 /nfs/dbraw/zinc/22/08/03/787220803.db2.gz SQHPHINDNBYSHH-UHFFFAOYSA-N 0 3 321.352 2.418 20 30 DEEDHN CCCCCCCCOCC(=O)NCCNCc1cnn(C)c1 ZINC001129522556 787224114 /nfs/dbraw/zinc/22/41/14/787224114.db2.gz CWIHKDZYQDDXBP-UHFFFAOYSA-N 0 3 324.469 2.003 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](C)CCCOC ZINC001170476765 787288210 /nfs/dbraw/zinc/28/82/10/787288210.db2.gz LKODTPFVYQJLHK-NSHDSACASA-N 0 3 321.259 2.054 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)SC)C1 ZINC001130373169 787363555 /nfs/dbraw/zinc/36/35/55/787363555.db2.gz HFCIUJBRDZYWRM-OCCSQVGLSA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C=C2CCC2)C1 ZINC001130386987 787372601 /nfs/dbraw/zinc/37/26/01/787372601.db2.gz XWZZBKWEYVYFRX-CQSZACIVSA-N 0 3 300.406 2.112 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1F ZINC001130526828 787415288 /nfs/dbraw/zinc/41/52/88/787415288.db2.gz YXIYFECNAJKXGB-OFQRWUPVSA-N 0 3 315.392 2.339 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3nc[nH]c31)C2 ZINC001095995089 787440476 /nfs/dbraw/zinc/44/04/76/787440476.db2.gz XYJIQSXZBCQDQG-VDERGJSUSA-N 0 3 314.433 2.127 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC(C)(C)C=C)C[C@H]1c1cn(C)cn1 ZINC001130602723 787443096 /nfs/dbraw/zinc/44/30/96/787443096.db2.gz PAICBRZZQDVJFD-GOEBONIOSA-N 0 3 316.449 2.092 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC1CC(NCc2cncs2)C1 ZINC001100166789 787492138 /nfs/dbraw/zinc/49/21/38/787492138.db2.gz QUBTXKBVTYQUKT-IYXRBSQSSA-N 0 3 323.462 2.109 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001100323795 787494663 /nfs/dbraw/zinc/49/46/63/787494663.db2.gz LJFRCDRZUKZKEG-JXQTWKCFSA-N 0 3 302.846 2.284 20 30 DEEDHN Cc1cnc(C(=O)NCCNCc2ccc(C#N)s2)c(C)c1 ZINC001131601114 787660023 /nfs/dbraw/zinc/66/00/23/787660023.db2.gz JENBUHHNDOAODA-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccc(C)nc2)CC[C@H]1C ZINC001131804333 787747018 /nfs/dbraw/zinc/74/70/18/787747018.db2.gz YAVPNGXZVVZLND-NVXWUHKLSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCc2cnn(CC)c2)C1 ZINC001131896909 787802193 /nfs/dbraw/zinc/80/21/93/787802193.db2.gz XHGFOXYEDPGVGA-RDJZCZTQSA-N 0 3 318.465 2.381 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cnccc2C)CC[C@H]1C ZINC001131923199 787816389 /nfs/dbraw/zinc/81/63/89/787816389.db2.gz PETPHTXPFOUTKC-CVEARBPZSA-N 0 3 317.433 2.175 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccncc2C)CC[C@H]1C ZINC001132007280 787886480 /nfs/dbraw/zinc/88/64/80/787886480.db2.gz YKEPHVWJRWIFPA-CVEARBPZSA-N 0 3 317.433 2.175 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132019744 787896183 /nfs/dbraw/zinc/89/61/83/787896183.db2.gz ABSORBUNTLORFT-CVEARBPZSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCOC)C1 ZINC001132077990 787918544 /nfs/dbraw/zinc/91/85/44/787918544.db2.gz KJDGPFDEMRAXDR-WCQYABFASA-N 0 3 302.846 2.381 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2C=CC=CC=C2)CC[C@H]1C ZINC001132065933 787923931 /nfs/dbraw/zinc/92/39/31/787923931.db2.gz ZNEZMSYKHZXISN-SJLPKXTDSA-N 0 3 316.445 2.457 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CCOCC)C2)CCC1 ZINC001132101364 787926792 /nfs/dbraw/zinc/92/67/92/787926792.db2.gz KHJDJOKODYFCAS-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(COC)CCCC2)CC[C@H]1C ZINC001132101385 787927271 /nfs/dbraw/zinc/92/72/71/787927271.db2.gz KLJVQSVTVVWZLW-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(Cl)nc2)cc1 ZINC001132215841 787975651 /nfs/dbraw/zinc/97/56/51/787975651.db2.gz ODSUNSLTEZZIGU-UHFFFAOYSA-N 0 3 313.788 2.236 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccn(C)c2C)CC[C@H]1C ZINC001132268929 787997773 /nfs/dbraw/zinc/99/77/73/787997773.db2.gz DGOGKPUBORJLOV-GDBMZVCRSA-N 0 3 319.449 2.119 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCc2cnn(C)c2)C1 ZINC001132255995 788000215 /nfs/dbraw/zinc/00/02/15/788000215.db2.gz IJGFDHQCWNFISU-WBVHZDCISA-N 0 3 318.465 2.288 20 30 DEEDHN C#CCN1C[C@@H](NC(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001132366169 788041428 /nfs/dbraw/zinc/04/14/28/788041428.db2.gz XHYBLUDEIRSWDH-SJORKVTESA-N 0 3 307.482 2.101 20 30 DEEDHN C=CC(C)(C)C(=O)NCCN[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC001132398646 788056820 /nfs/dbraw/zinc/05/68/20/788056820.db2.gz IJLWIXAYFGQRPJ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(F)c1)C2 ZINC001097475857 788110618 /nfs/dbraw/zinc/11/06/18/788110618.db2.gz IXWJEJAHGRQHCI-OIISXLGYSA-N 0 3 300.377 2.493 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)n(C)n1)C2 ZINC001097549661 788131690 /nfs/dbraw/zinc/13/16/90/788131690.db2.gz XSYSTEOFFBXJQD-WZRBSPASSA-N 0 3 324.375 2.269 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132574147 788135384 /nfs/dbraw/zinc/13/53/84/788135384.db2.gz WIFDNBHARFJCBX-UONOGXRCSA-N 0 3 306.454 2.302 20 30 DEEDHN CC#CCCCC(=O)NCCNCc1ccccc1N(C)C ZINC001132591503 788140543 /nfs/dbraw/zinc/14/05/43/788140543.db2.gz RALBIHMGAPHFKV-UHFFFAOYSA-N 0 3 301.434 2.152 20 30 DEEDHN Cc1cc(CNC[C@H]2CN(C(=O)C#CC(C)C)CC[C@@H]2C)on1 ZINC001132808715 788204192 /nfs/dbraw/zinc/20/41/92/788204192.db2.gz DYQNKMAPTOSZOH-HOCLYGCPSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2nnc(C)[nH]2)C1 ZINC001133071911 788273420 /nfs/dbraw/zinc/27/34/20/788273420.db2.gz DFCITCMTKSPCCH-DZGCQCFKSA-N 0 3 319.453 2.044 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OCC)c1)C2 ZINC001097932901 788276956 /nfs/dbraw/zinc/27/69/56/788276956.db2.gz VPQZHVSOKZIKDI-NXHRZFHOSA-N 0 3 312.413 2.444 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1cccc(C#N)c1)C(F)(F)F ZINC001133225235 788322735 /nfs/dbraw/zinc/32/27/35/788322735.db2.gz ULQBKQXFGPAFPI-NSHDSACASA-N 0 3 313.323 2.353 20 30 DEEDHN C[C@H](CCCCNCc1nccs1)NC(=O)C#CC1CC1 ZINC001170673982 788334855 /nfs/dbraw/zinc/33/48/55/788334855.db2.gz KDGRJMIRGPCVDX-CYBMUJFWSA-N 0 3 305.447 2.321 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNC[C@@H](O)c1ccccc1F ZINC001133383510 788394174 /nfs/dbraw/zinc/39/41/74/788394174.db2.gz RTZOEZYUHATYFC-WBVHZDCISA-N 0 3 308.397 2.167 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C#CC1CC1 ZINC001133398458 788397674 /nfs/dbraw/zinc/39/76/74/788397674.db2.gz WYHFPWBQZXYVDL-UHFFFAOYSA-N 0 3 314.816 2.305 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC001098043837 788424567 /nfs/dbraw/zinc/42/45/67/788424567.db2.gz YAFHFHYEEADNLY-LIRZEXBASA-N 0 3 324.424 2.368 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)C2 ZINC001098048245 788458441 /nfs/dbraw/zinc/45/84/41/788458441.db2.gz HWVHCWJSRJYYHE-SRMUXQRQSA-N 0 3 316.449 2.428 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)[nH]2)cc1 ZINC001133500940 788462208 /nfs/dbraw/zinc/46/22/08/788462208.db2.gz OEHDOBHJWGARAU-UHFFFAOYSA-N 0 3 302.765 2.059 20 30 DEEDHN C=C1CC(C)(C(=O)NCCNCc2cnn(C(C)(C)C)c2)C1 ZINC001133564559 788489366 /nfs/dbraw/zinc/48/93/66/788489366.db2.gz UASQIZRDDRCGMO-UHFFFAOYSA-N 0 3 304.438 2.200 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001133909861 788667920 /nfs/dbraw/zinc/66/79/20/788667920.db2.gz RVZJUNNBVNHSAT-STQMWFEESA-N 0 3 323.437 2.121 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC001133908990 788668326 /nfs/dbraw/zinc/66/83/26/788668326.db2.gz FRILONGWUCTKIN-CHWSQXEVSA-N 0 3 321.421 2.128 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cnns1 ZINC001134119514 788771426 /nfs/dbraw/zinc/77/14/26/788771426.db2.gz SDMCYAQYGINYRY-CHWSQXEVSA-N 0 3 308.451 2.105 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cccc3c2OCC3)cc1 ZINC001134205341 788801032 /nfs/dbraw/zinc/80/10/32/788801032.db2.gz RWRURQMDZXBZQU-UHFFFAOYSA-N 0 3 321.380 2.013 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1conc1CC ZINC001134200067 788809371 /nfs/dbraw/zinc/80/93/71/788809371.db2.gz AJYRHALEISPLEC-KBPBESRZSA-N 0 3 305.422 2.413 20 30 DEEDHN Cc1cnc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001134329340 788874354 /nfs/dbraw/zinc/87/43/54/788874354.db2.gz MUPAJTXNPWAMHG-ZIAGYGMSSA-N 0 3 316.449 2.207 20 30 DEEDHN COc1cc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)on1 ZINC001134329218 788875885 /nfs/dbraw/zinc/87/58/85/788875885.db2.gz LLGKYZJRAQMVKX-STQMWFEESA-N 0 3 321.421 2.106 20 30 DEEDHN C=CCCC(=O)NC1(CC)CCN(C(=O)CN(C)CCC)CC1 ZINC001069506676 789073239 /nfs/dbraw/zinc/07/32/39/789073239.db2.gz PZIPHJXQHXNIBK-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccnc(OC)n1 ZINC001135230341 789260147 /nfs/dbraw/zinc/26/01/47/789260147.db2.gz LWYQUUULEZFNMS-OLZOCXBDSA-N 0 3 320.437 2.070 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccccc2)C1 ZINC001070394894 789306988 /nfs/dbraw/zinc/30/69/88/789306988.db2.gz UTYDTRNEAWXGGS-OAHLLOKOSA-N 0 3 310.401 2.315 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC=CCC2)C1 ZINC001070395990 789308974 /nfs/dbraw/zinc/30/89/74/789308974.db2.gz DFEKNTXSEQQADR-GJZGRUSLSA-N 0 3 314.433 2.358 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070865168 789471795 /nfs/dbraw/zinc/47/17/95/789471795.db2.gz JIULAHWEFOHZPU-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001071065775 789509654 /nfs/dbraw/zinc/50/96/54/789509654.db2.gz GSDMUFNQYQFIJM-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1ccco1)C[C@H](C)O2 ZINC001071123224 789534183 /nfs/dbraw/zinc/53/41/83/789534183.db2.gz ZNMKHRRRSQVSON-YOEHRIQHSA-N 0 3 304.390 2.161 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)c1cccs1)C[C@@H](C)O2 ZINC001071129044 789543076 /nfs/dbraw/zinc/54/30/76/789543076.db2.gz DKCPYQPXWTWXAO-RHSMWYFYSA-N 0 3 318.442 2.077 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001071135806 789549802 /nfs/dbraw/zinc/54/98/02/789549802.db2.gz YOWBWMJENZRZNA-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001086810055 789575993 /nfs/dbraw/zinc/57/59/93/789575993.db2.gz VLQUOUYFOUEFIC-UONOGXRCSA-N 0 3 324.856 2.452 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)c1cocc1C)C[C@H](C)O2 ZINC001071195428 789583992 /nfs/dbraw/zinc/58/39/92/789583992.db2.gz XRUOIZQLMAVTRN-YJBOKZPZSA-N 0 3 318.417 2.470 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(CF)CCC1)C[C@H](C)O2 ZINC001071210015 789594799 /nfs/dbraw/zinc/59/47/99/789594799.db2.gz TTZNNSQRJZQUAH-YJBOKZPZSA-N 0 3 324.440 2.394 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C(C)C)CC1)C[C@H](C)O2 ZINC001071213842 789597563 /nfs/dbraw/zinc/59/75/63/789597563.db2.gz LHARLJLYFNHQCO-FUHWJXTLSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1c[nH]cc1C)C[C@H](C)O2 ZINC001071240222 789608305 /nfs/dbraw/zinc/60/83/05/789608305.db2.gz BKXXXWXXRLZHOC-MAUKXSAKSA-N 0 3 317.433 2.205 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)n(C)n2)CC[C@@H]1C ZINC001071505438 789747758 /nfs/dbraw/zinc/74/77/58/789747758.db2.gz VXGCBPJMUGZJOQ-LSDHHAIUSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(F)cccc2OC)CC[C@H]1C ZINC001071528214 789762250 /nfs/dbraw/zinc/76/22/50/789762250.db2.gz QHKRIRHPVQJWCB-ZIAGYGMSSA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnn2CCC)CC[C@H]1C ZINC001071540971 789768112 /nfs/dbraw/zinc/76/81/12/789768112.db2.gz YLXTZJXZGTZGEY-CABCVRRESA-N 0 3 304.438 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)CC[C@@H]1C ZINC001071543170 789769371 /nfs/dbraw/zinc/76/93/71/789769371.db2.gz KMJPWBHGKUDXBR-JSGCOSHPSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)CC[C@@H]1C ZINC001071545762 789771018 /nfs/dbraw/zinc/77/10/18/789771018.db2.gz DUBKUPLYGCEADJ-ZFWWWQNUSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C3CC3)n(C)n2)CC[C@@H]1C ZINC001071548847 789773315 /nfs/dbraw/zinc/77/33/15/789773315.db2.gz MOCHFZJSAFGPQS-DZGCQCFKSA-N 0 3 316.449 2.456 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc3c([nH]2)CCOC3)CC[C@H]1C ZINC001071555193 789777015 /nfs/dbraw/zinc/77/70/15/789777015.db2.gz BJMINAJSJAQIOA-UKRRQHHQSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)CC[C@H]1C ZINC001071580140 789792796 /nfs/dbraw/zinc/79/27/96/789792796.db2.gz OWPCGJSSNCDLJZ-HIFRSBDPSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)CC[C@H]1C ZINC001071630886 789827218 /nfs/dbraw/zinc/82/72/18/789827218.db2.gz DRRZPNUTJMQQLD-ZBFHGGJFSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(N(C)C)nc2)CC[C@H]1C ZINC001071634491 789829924 /nfs/dbraw/zinc/82/99/24/789829924.db2.gz DGNSKNDFINVSAY-GDBMZVCRSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn3cncc3c2)CC[C@@H]1C ZINC001071651456 789841877 /nfs/dbraw/zinc/84/18/77/789841877.db2.gz IWBPXWJZUPLNQF-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)CC[C@@H]1C ZINC001071698881 789873554 /nfs/dbraw/zinc/87/35/54/789873554.db2.gz XXNSZWTVDFSGIB-HOCLYGCPSA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2noc3c2CCCC3)CC[C@H]1C ZINC001071844676 789939888 /nfs/dbraw/zinc/93/98/88/789939888.db2.gz QOGNPHXTOJXABT-KGLIPLIRSA-N 0 3 315.417 2.159 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]c3cccnc32)CC[C@@H]1C ZINC001071993663 790001891 /nfs/dbraw/zinc/00/18/91/790001891.db2.gz VPHFYMQHLMPQBR-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)CC[C@@H]1C ZINC001071996294 790004238 /nfs/dbraw/zinc/00/42/38/790004238.db2.gz QJLVYAPCTBPNCS-STQMWFEESA-N 0 3 324.856 2.409 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)cn2)CC[C@H]1C ZINC001072008374 790010180 /nfs/dbraw/zinc/01/01/80/790010180.db2.gz FEYMIFMXVBPUJM-TZMCWYRMSA-N 0 3 305.809 2.341 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cc(C(N)=O)cs2)CC[C@@H]1C ZINC001072099609 790052365 /nfs/dbraw/zinc/05/23/65/790052365.db2.gz UBORDYLEOIBHPQ-WCQYABFASA-N 0 3 321.446 2.006 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2N(C)C)CC[C@H]1C ZINC001072116767 790059243 /nfs/dbraw/zinc/05/92/43/790059243.db2.gz QSPWWUKBTZFNBR-CVEARBPZSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@H](CNCc2nccn2C)C1 ZINC001072340695 790119939 /nfs/dbraw/zinc/11/99/39/790119939.db2.gz NUJFZSJXVKCQGJ-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccnn3[C@H](C)CC)C2)C1 ZINC001072788339 790247674 /nfs/dbraw/zinc/24/76/74/790247674.db2.gz IJAXVGBLVCKMJM-OAHLLOKOSA-N 0 3 314.433 2.025 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C)s3)C[C@]2(C)C1 ZINC001091441344 791183177 /nfs/dbraw/zinc/18/31/77/791183177.db2.gz DPBOMJGFYQTGGM-PBHICJAKSA-N 0 3 302.443 2.474 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@]2(C)C1 ZINC001091485069 791200368 /nfs/dbraw/zinc/20/03/68/791200368.db2.gz LYYKTFDONKTFGL-WBMJQRKESA-N 0 3 306.793 2.350 20 30 DEEDHN CC1(CCC(=O)NCCNCc2ccc(F)c(C#N)c2)CC1 ZINC001146464539 791286809 /nfs/dbraw/zinc/28/68/09/791286809.db2.gz KIJHPCSMSNEDHB-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2coc(C3CCC3)n2)c1 ZINC001147095349 791454881 /nfs/dbraw/zinc/45/48/81/791454881.db2.gz ACWQTKYOVWJVQC-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001075097407 791460227 /nfs/dbraw/zinc/46/02/27/791460227.db2.gz OGSUFIQCODQQJP-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C(C2CC2)C2CC2)ccc1F ZINC001147222797 791489496 /nfs/dbraw/zinc/48/94/96/791489496.db2.gz VYJKNIPGHSDKPC-UHFFFAOYSA-N 0 3 315.392 2.339 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNCc1nccs1 ZINC001075282126 791554087 /nfs/dbraw/zinc/55/40/87/791554087.db2.gz YESFJBAZALPJNU-DZGCQCFKSA-N 0 3 317.458 2.131 20 30 DEEDHN CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCC#N)C1 ZINC001086848940 791567290 /nfs/dbraw/zinc/56/72/90/791567290.db2.gz OHPDDWQMSIWREC-GVDBMIGSSA-N 0 3 320.481 2.039 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2nccn2C)[C@@H](C)C1 ZINC001075312661 791578001 /nfs/dbraw/zinc/57/80/01/791578001.db2.gz MKETVYVORMERRG-GJZGRUSLSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)noc1CC)C2 ZINC001098369719 791615893 /nfs/dbraw/zinc/61/58/93/791615893.db2.gz GVKNOCZICVWWMS-MCIONIFRSA-N 0 3 303.406 2.457 20 30 DEEDHN CC(C)(C(=O)NCCNCc1cccc(C#N)c1)C(F)(F)F ZINC001148536939 791766625 /nfs/dbraw/zinc/76/66/25/791766625.db2.gz RTVOJQAUETWDAP-UHFFFAOYSA-N 0 3 313.323 2.353 20 30 DEEDHN COc1ccsc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001148626568 791784740 /nfs/dbraw/zinc/78/47/40/791784740.db2.gz UCYFCINOVKEJTO-UHFFFAOYSA-N 0 3 321.427 2.209 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccnc(CCC)c3)C[C@]2(C)C1 ZINC001091758813 791814084 /nfs/dbraw/zinc/81/40/84/791814084.db2.gz LKTDDQSDBMJWIL-APWZRJJASA-N 0 3 311.429 2.061 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3c[nH]c(C)n3)C2)CC1 ZINC001086910674 791847820 /nfs/dbraw/zinc/84/78/20/791847820.db2.gz ZANUAHMFQHQWPC-CQSZACIVSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3CCOCC3)C2)CC1 ZINC001086912456 791848510 /nfs/dbraw/zinc/84/85/10/791848510.db2.gz RHWPQAWZYNNXLV-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ncccc3C)C2)CC1 ZINC001086913944 791849277 /nfs/dbraw/zinc/84/92/77/791849277.db2.gz BOPBYJFEFOEUNW-INIZCTEOSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC3(F)F)C2)CC1 ZINC001086928318 791859621 /nfs/dbraw/zinc/85/96/21/791859621.db2.gz BDSXYMUQXSBBNY-ZIAGYGMSSA-N 0 3 310.388 2.368 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cc(F)c[nH]3)C2)CC1 ZINC001086933877 791860066 /nfs/dbraw/zinc/86/00/66/791860066.db2.gz ZUEMBARWTSDNPI-AWEZNQCLSA-N 0 3 317.408 2.494 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](OC)C3CCC3)C2)CC1 ZINC001086934739 791860922 /nfs/dbraw/zinc/86/09/22/791860922.db2.gz ZDAQJGYPDOJBGN-WBVHZDCISA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCn3cccc3)C2)CC1 ZINC001086950735 791862640 /nfs/dbraw/zinc/86/26/40/791862640.db2.gz IYNGGPXRLIWICO-KRWDZBQOSA-N 0 3 313.445 2.214 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C[C@]2(C)C1 ZINC001091783456 791887844 /nfs/dbraw/zinc/88/78/44/791887844.db2.gz NCTDTKXCEGUJRU-HPFXQQBRSA-N 0 3 314.454 2.265 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3oc(C(C)C)nc3C)C[C@]2(C)C1 ZINC001092083031 791930220 /nfs/dbraw/zinc/93/02/20/791930220.db2.gz IQOUKBMCMDVIDY-KDOFPFPSSA-N 0 3 315.417 2.134 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)c3ccccc3F)C[C@]2(C)C1 ZINC001092106192 791932107 /nfs/dbraw/zinc/93/21/07/791932107.db2.gz KUXQMIDDPOILNQ-CLCXKQKWSA-N 0 3 314.404 2.343 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3csc(Cl)n3)C[C@]2(C)C1 ZINC001092173213 791936962 /nfs/dbraw/zinc/93/69/62/791936962.db2.gz XQMVHMGLDOBBAB-ABAIWWIYSA-N 0 3 323.849 2.214 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4nc(C)ccc4o3)C[C@]2(C)C1 ZINC001092217676 791947965 /nfs/dbraw/zinc/94/79/65/791947965.db2.gz OEGZMIVJMJQUSU-KUHUBIRLSA-N 0 3 323.396 2.163 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)C[C@]2(C)C1 ZINC001092234840 791951780 /nfs/dbraw/zinc/95/17/80/791951780.db2.gz PSXMNOKWGAMHSA-CJNGLKHVSA-N 0 3 312.404 2.471 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4c(s3)CCC4)C[C@]2(C)C1 ZINC001092250731 791965447 /nfs/dbraw/zinc/96/54/47/791965447.db2.gz AIFCGLUTNKYOBP-KDOFPFPSSA-N 0 3 314.454 2.264 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC001098952956 791999519 /nfs/dbraw/zinc/99/95/19/791999519.db2.gz NWIRCEVNCTTXTP-RDJZCZTQSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCn1cccn1 ZINC001098966234 792004662 /nfs/dbraw/zinc/00/46/62/792004662.db2.gz IOLOQKAHOOKQCI-INIZCTEOSA-N 0 3 318.465 2.456 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(CC)n2)C1 ZINC001099061218 792069476 /nfs/dbraw/zinc/06/94/76/792069476.db2.gz JCTVPKCKKZULPF-YOEHRIQHSA-N 0 3 302.422 2.063 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H]2CCC(C)(C)CN2CCOC)CCC1 ZINC001099106899 792097183 /nfs/dbraw/zinc/09/71/83/792097183.db2.gz REQGXEPNLCHRAH-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001099158272 792120940 /nfs/dbraw/zinc/12/09/40/792120940.db2.gz GJNUMVIVSUWCCV-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)NC(C)=O ZINC001099269748 792156675 /nfs/dbraw/zinc/15/66/75/792156675.db2.gz DGTJEYRCEIEPTM-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(F)c(F)cc2F)[C@H](C)C1 ZINC001092922984 792160173 /nfs/dbraw/zinc/16/01/73/792160173.db2.gz HIBRYNVXTXVUFH-GHMZBOCLSA-N 0 3 310.319 2.035 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC001092922061 792160913 /nfs/dbraw/zinc/16/09/13/792160913.db2.gz JOMAIMOILZIHCJ-CHWSQXEVSA-N 0 3 320.820 2.280 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001092890998 792162578 /nfs/dbraw/zinc/16/25/78/792162578.db2.gz NKAQXCOFUMLTAO-VLXAULBPSA-N 0 3 317.458 2.460 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c(F)cc(F)cc2F)[C@H](C)C1 ZINC001092926823 792178811 /nfs/dbraw/zinc/17/88/11/792178811.db2.gz AJYUDCJHGPYIOD-GHMZBOCLSA-N 0 3 310.319 2.035 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001099379387 792189218 /nfs/dbraw/zinc/18/92/18/792189218.db2.gz JILXVXMPYBEXJK-ZBFHGGJFSA-N 0 3 318.465 2.316 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2scnc2C(C)(C)C)[C@H](C)C1 ZINC001093035692 792216862 /nfs/dbraw/zinc/21/68/62/792216862.db2.gz NRFHMQNZFFAQOR-CHWSQXEVSA-N 0 3 319.474 2.372 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc3c2ccn3C)[C@H](C)C1 ZINC001093058862 792220525 /nfs/dbraw/zinc/22/05/25/792220525.db2.gz LYFWXUPDLQWKHB-HUUCEWRRSA-N 0 3 309.413 2.109 20 30 DEEDHN CC(C)=CCN1C[C@H](NC(=O)[C@@H](C)C#N)CC2(CCOCC2)C1 ZINC001099574350 792248911 /nfs/dbraw/zinc/24/89/11/792248911.db2.gz DHPALUOEQPTFFL-JKSUJKDBSA-N 0 3 319.449 2.100 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCF)CC2(CCOCC2)C1 ZINC001099587091 792252578 /nfs/dbraw/zinc/25/25/78/792252578.db2.gz PJJGQEITZXTPKL-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc3ncsc3c2)[C@H](C)C1 ZINC001093175325 792274251 /nfs/dbraw/zinc/27/42/51/792274251.db2.gz FPLCPJJCECUOQJ-TZMCWYRMSA-N 0 3 313.426 2.227 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C[C@H]1O ZINC001099728590 792331739 /nfs/dbraw/zinc/33/17/39/792331739.db2.gz XTMYTBWLHUXQJR-QZTJIDSGSA-N 0 3 316.445 2.267 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001093370956 792346662 /nfs/dbraw/zinc/34/66/62/792346662.db2.gz IDLOVDYGKRZIGL-QGZVFWFLSA-N 0 3 311.429 2.355 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001099911399 792399243 /nfs/dbraw/zinc/39/92/43/792399243.db2.gz IRXLDJBIAIAWER-ROUUACIJSA-N 0 3 316.445 2.055 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CC2(C=C)CCCCC2)[C@@H](O)C1 ZINC001100035088 792451598 /nfs/dbraw/zinc/45/15/98/792451598.db2.gz XIYRUGXOHUVVCM-SJORKVTESA-N 0 3 318.461 2.088 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](O)C1 ZINC001100092515 792469553 /nfs/dbraw/zinc/46/95/53/792469553.db2.gz ONDCJKZIXIGWOU-VXGBXAGGSA-N 0 3 322.371 2.093 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001100096527 792472067 /nfs/dbraw/zinc/47/20/67/792472067.db2.gz ISDQCUCBTYXOKA-MSOLQXFVSA-N 0 3 320.477 2.312 20 30 DEEDHN O=C(Cc1ccoc1)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100272794 792558170 /nfs/dbraw/zinc/55/81/70/792558170.db2.gz QVCMEHUTDVQPSX-UHFFFAOYSA-N 0 3 322.408 2.358 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cncc(F)c2)C1 ZINC001100564380 792722436 /nfs/dbraw/zinc/72/24/36/792722436.db2.gz BHSQFMVVCRFXKJ-UHFFFAOYSA-N 0 3 305.397 2.417 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001100664233 792777667 /nfs/dbraw/zinc/77/76/67/792777667.db2.gz AQVBGBUMRMUWDX-IYXRBSQSSA-N 0 3 323.824 2.086 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C)sn3)CCC[C@@H]12 ZINC001094401783 792891487 /nfs/dbraw/zinc/89/14/87/792891487.db2.gz KEKQXJQLHLNREA-GDBMZVCRSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3scnc3CC)CCC[C@@H]12 ZINC001094430102 792915817 /nfs/dbraw/zinc/91/58/17/792915817.db2.gz XVVBBXLHHPHYAE-RHSMWYFYSA-N 0 3 317.458 2.313 20 30 DEEDHN C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001171443627 792917559 /nfs/dbraw/zinc/91/75/59/792917559.db2.gz BVYQLSBWYZEADX-CYBMUJFWSA-N 0 3 306.410 2.027 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc4n[nH]cc4c3)CCC[C@@H]12 ZINC001094498615 792940630 /nfs/dbraw/zinc/94/06/30/792940630.db2.gz OVEPJSWZVNXFIK-IEBWSBKVSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc4c(c3)COC4)CCC[C@@H]12 ZINC001094533588 792967635 /nfs/dbraw/zinc/96/76/35/792967635.db2.gz HDJMHTWVIBJGPB-UYAOXDASSA-N 0 3 324.424 2.324 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(Cl)cn3)CCC[C@@H]12 ZINC001094565031 792983383 /nfs/dbraw/zinc/98/33/83/792983383.db2.gz KLMIFLPNRTVRHB-NVXWUHKLSA-N 0 3 317.820 2.343 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@](C)(OC)c1ccccc1 ZINC001171480283 793109742 /nfs/dbraw/zinc/10/97/42/793109742.db2.gz PESOJLKYGXKBSI-MRXNPFEDSA-N 0 3 310.825 2.397 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCC(F)(F)F)C[C@]2(C)C1 ZINC001101373121 793135896 /nfs/dbraw/zinc/13/58/96/793135896.db2.gz QRKHQIAZXGISNC-OCCSQVGLSA-N 0 3 302.340 2.133 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(C#N)c2)CC1=O ZINC001171680259 793169284 /nfs/dbraw/zinc/16/92/84/793169284.db2.gz SWMBHTPREURWCB-AWEZNQCLSA-N 0 3 315.373 2.184 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(F)ccc(OC)c1F ZINC001171695460 793191618 /nfs/dbraw/zinc/19/16/18/793191618.db2.gz PWMSMSQCFNOQGT-UHFFFAOYSA-N 0 3 318.751 2.435 20 30 DEEDHN COc1ccc(C(=O)NCCCNCc2ccccc2C#N)cc1 ZINC001171852053 793231240 /nfs/dbraw/zinc/23/12/40/793231240.db2.gz LQRLHXCYFKEJDO-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](N[C@H]2CSc3ccccc3C2)C1=O ZINC001172204460 793364857 /nfs/dbraw/zinc/36/48/57/793364857.db2.gz PKYXUOVMTVDBMQ-CVEARBPZSA-N 0 3 314.454 2.307 20 30 DEEDHN CCC(C)(C)CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102001800 793474643 /nfs/dbraw/zinc/47/46/43/793474643.db2.gz ZUDXLQLIZWZISK-HZPDHXFCSA-N 0 3 308.466 2.147 20 30 DEEDHN COC[C@H]1CCCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981137 793549405 /nfs/dbraw/zinc/54/94/05/793549405.db2.gz SYGTTZBCYBYYKJ-ZNMIVQPWSA-N 0 3 323.437 2.389 20 30 DEEDHN N#CCC1CCC(N2CCOC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001173330613 793680281 /nfs/dbraw/zinc/68/02/81/793680281.db2.gz DNQXOESWKMWONF-WXRRBKDZSA-N 0 3 306.328 2.084 20 30 DEEDHN C[C@@H](N)c1ccn(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n1 ZINC001173427437 793727298 /nfs/dbraw/zinc/72/72/98/793727298.db2.gz WBGXTKIMDMKWPG-CYBMUJFWSA-N 0 3 323.400 2.252 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)OC)C1 ZINC001102757134 793742213 /nfs/dbraw/zinc/74/22/13/793742213.db2.gz XLLUWKPEKIZHPY-MRVWCRGKSA-N 0 3 302.846 2.238 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099945642 793970431 /nfs/dbraw/zinc/97/04/31/793970431.db2.gz ZOKWEXIOTKOQJO-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCOCC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103770835 794219205 /nfs/dbraw/zinc/21/92/05/794219205.db2.gz QJLNCPGZUJGGAH-UKRRQHHQSA-N 0 3 314.857 2.406 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC001175829442 794290607 /nfs/dbraw/zinc/29/06/07/794290607.db2.gz HFAXGIAYCZIIOI-SWLSCSKDSA-N 0 3 324.808 2.063 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C)ncn2)C1 ZINC001103978156 794335744 /nfs/dbraw/zinc/33/57/44/794335744.db2.gz WUCFQQXBUOXMRT-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1C ZINC001104038577 794354083 /nfs/dbraw/zinc/35/40/83/794354083.db2.gz VCGNOVFTHZOMTL-DGCLKSJQSA-N 0 3 323.824 2.228 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cn1nc(C)c(Cl)c1C ZINC001176270707 794400425 /nfs/dbraw/zinc/40/04/25/794400425.db2.gz HTLSPEXBJPQHIQ-UHFFFAOYSA-N 0 3 319.236 2.002 20 30 DEEDHN C=CCCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nonc1C)C2 ZINC001111504344 794431611 /nfs/dbraw/zinc/43/16/11/794431611.db2.gz KPKJTTRTQVMVLM-KFWWJZLASA-N 0 3 318.421 2.460 20 30 DEEDHN CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[n-]2)C1 ZINC001111797575 794483842 /nfs/dbraw/zinc/48/38/42/794483842.db2.gz HFOWZHHYIAVXMO-YOEHRIQHSA-N 0 3 319.453 2.359 20 30 DEEDHN CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[n-]2)C1 ZINC001111797575 794483847 /nfs/dbraw/zinc/48/38/47/794483847.db2.gz HFOWZHHYIAVXMO-YOEHRIQHSA-N 0 3 319.453 2.359 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H](C)CCCCNCc1ocnc1C ZINC001176816204 794505703 /nfs/dbraw/zinc/50/57/03/794505703.db2.gz YXDJTQYHCYXMMP-DZGCQCFKSA-N 0 3 323.437 2.339 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCOC(C)C)C1 ZINC001112024439 794546847 /nfs/dbraw/zinc/54/68/47/794546847.db2.gz NEMFOAZKKRKBJT-WMZOPIPTSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001112027126 794547107 /nfs/dbraw/zinc/54/71/07/794547107.db2.gz VEPRPLGJURRKTL-JQWIXIFHSA-N 0 3 324.293 2.178 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001177491076 794681924 /nfs/dbraw/zinc/68/19/24/794681924.db2.gz JKQYIJMGTQSAGH-UHFFFAOYSA-N 0 3 310.829 2.236 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC(C)C)c1ccccc1 ZINC001115367369 794746064 /nfs/dbraw/zinc/74/60/64/794746064.db2.gz XTULQNFDMDXZOZ-VSZNYVQBSA-N 0 3 314.429 2.385 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)n1c(N)nc(=O)c2ccccc21 ZINC001177916493 794775299 /nfs/dbraw/zinc/77/52/99/794775299.db2.gz HYKSUMPPQXEPEL-SNVBAGLBSA-N 0 3 324.365 2.306 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)NCCOc1ccncc1 ZINC001177918455 794776691 /nfs/dbraw/zinc/77/66/91/794776691.db2.gz YVCIHSNAMFKLBW-GFCCVEGCSA-N 0 3 301.371 2.021 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2ccnn2C)CCCCC1 ZINC001115508873 794803812 /nfs/dbraw/zinc/80/38/12/794803812.db2.gz HCVHXQYYKLUWGQ-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN COCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001178192637 794858187 /nfs/dbraw/zinc/85/81/87/794858187.db2.gz VBYNGSGHMVYGIT-WFASDCNBSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCC[NH2+]CCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC001178566695 794953253 /nfs/dbraw/zinc/95/32/53/794953253.db2.gz DOGYPPOAMRXLOM-UHFFFAOYSA-N 0 3 315.421 2.414 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C#CC1CC1 ZINC001178645958 794964217 /nfs/dbraw/zinc/96/42/17/794964217.db2.gz VYJTXAUYHIVTOD-LPHOPBHVSA-N 0 3 306.409 2.031 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)c2n[nH]c(CC)n2)[C@@H]1C ZINC001178805889 794999905 /nfs/dbraw/zinc/99/99/05/794999905.db2.gz OCZAOARYYPPSKY-IHRRRGAJSA-N 0 3 319.453 2.363 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cn(C)nc2C)[C@@H]1C ZINC001179359759 795106197 /nfs/dbraw/zinc/10/61/97/795106197.db2.gz FSVWNDJWTPFBIP-RDJZCZTQSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCCCC)[C@H]1C ZINC001180059022 795233152 /nfs/dbraw/zinc/23/31/52/795233152.db2.gz KKIKADBFUVDBLB-PMPSAXMXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCn1ncc2ccccc21 ZINC001180065799 795235456 /nfs/dbraw/zinc/23/54/56/795235456.db2.gz NJZARLKQCVVBKZ-INIZCTEOSA-N 0 3 312.417 2.193 20 30 DEEDHN Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CSCC#N)C2)c1 ZINC001181106454 795420743 /nfs/dbraw/zinc/42/07/43/795420743.db2.gz DYKCPIFEAJXSHZ-CQSZACIVSA-N 0 3 321.421 2.081 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120469916 795467723 /nfs/dbraw/zinc/46/77/23/795467723.db2.gz NPDUZOZNDQEQEV-HOTGVXAUSA-N 0 3 312.429 2.252 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001120547261 795481763 /nfs/dbraw/zinc/48/17/63/795481763.db2.gz XOZCTKOYSFHZHP-INIZCTEOSA-N 0 3 315.417 2.335 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C1CC(O)(c2ccccc2)C1 ZINC001181660925 795515932 /nfs/dbraw/zinc/51/59/32/795515932.db2.gz BJFADOXNLBJAAP-RMXPPQQLSA-N 0 3 314.429 2.051 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCCCN1C ZINC001120726585 795519954 /nfs/dbraw/zinc/51/99/54/795519954.db2.gz JFWRERMWZFGICL-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN CS[C@@H](C)CC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182097275 795610373 /nfs/dbraw/zinc/61/03/73/795610373.db2.gz JLGPQQHZZPUMEU-NWDGAFQWSA-N 0 3 323.487 2.452 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CC2(OC)CCC2)CC1 ZINC001151108532 795635732 /nfs/dbraw/zinc/63/57/32/795635732.db2.gz WDELPXXHJAIFAM-UHFFFAOYSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](CF)C1 ZINC001121596788 795656809 /nfs/dbraw/zinc/65/68/09/795656809.db2.gz WPNOXZDEMLAXJW-KGLIPLIRSA-N 0 3 307.417 2.069 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001182373005 795662673 /nfs/dbraw/zinc/66/26/73/795662673.db2.gz RRZXCILEVRAJNV-MRXNPFEDSA-N 0 3 306.356 2.315 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cocc2C)CC1 ZINC001151254219 795718466 /nfs/dbraw/zinc/71/84/66/795718466.db2.gz ABIXXPYKDWEUEC-UHFFFAOYSA-N 0 3 306.406 2.375 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCc1ccc2c(c1)OCO2 ZINC001122137417 795729476 /nfs/dbraw/zinc/72/94/76/795729476.db2.gz POESSJSKHVLSMB-CQSZACIVSA-N 0 3 304.390 2.100 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC001182727426 795743301 /nfs/dbraw/zinc/74/33/01/795743301.db2.gz QUBXSMJJTMQVRZ-SECBINFHSA-N 0 3 314.282 2.070 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001122331504 795748167 /nfs/dbraw/zinc/74/81/67/795748167.db2.gz LDJDTZAZCBDIHL-LSDHHAIUSA-N 0 3 305.809 2.335 20 30 DEEDHN C=CCC[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnns1)C2 ZINC001110325047 795777279 /nfs/dbraw/zinc/77/72/79/795777279.db2.gz RBFFPQHWRVFMIK-LPWJVIDDSA-N 0 3 306.435 2.228 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)CCCc2ccccc2Cl)C1 ZINC001183077178 795796616 /nfs/dbraw/zinc/79/66/16/795796616.db2.gz RHTRXKSEUAGKOU-OAHLLOKOSA-N 0 3 304.821 2.486 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)CC2CCCC2)ccc1F ZINC001122846065 795810877 /nfs/dbraw/zinc/81/08/77/795810877.db2.gz XHMZAUOIJFAPQS-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001183958814 795967344 /nfs/dbraw/zinc/96/73/44/795967344.db2.gz DIBVJYUJXTWNKF-CABCVRRESA-N 0 3 300.402 2.103 20 30 DEEDHN CCCc1ccccc1C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001184117977 795999625 /nfs/dbraw/zinc/99/96/25/795999625.db2.gz VDMAOUKHPSJQRT-QGZVFWFLSA-N 0 3 314.429 2.093 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)CCC(F)F)C2)s1 ZINC001184353495 796050464 /nfs/dbraw/zinc/05/04/64/796050464.db2.gz VZBGXDANEDOTTD-SNVBAGLBSA-N 0 3 313.373 2.356 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CNCc2nccn2C)[C@H](C)C1 ZINC001184496845 796066003 /nfs/dbraw/zinc/06/60/03/796066003.db2.gz GIZOHGUFAYPDOA-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001184745727 796119700 /nfs/dbraw/zinc/11/97/00/796119700.db2.gz BCYTWPANYXXZDT-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001184849271 796129785 /nfs/dbraw/zinc/12/97/85/796129785.db2.gz AFWXLQNLNGSIOC-OAHLLOKOSA-N 0 3 323.481 2.035 20 30 DEEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)CNC(=O)C1CC1 ZINC001151453873 796180885 /nfs/dbraw/zinc/18/08/85/796180885.db2.gz AGNVFUOPWAHLRE-CYBMUJFWSA-N 0 3 315.417 2.303 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202855458 796258440 /nfs/dbraw/zinc/25/84/40/796258440.db2.gz HOJXMMQVKUMQKC-CHWSQXEVSA-N 0 3 322.840 2.112 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001185567418 796284262 /nfs/dbraw/zinc/28/42/62/796284262.db2.gz PRGTXYUXOLEFCW-JKSUJKDBSA-N 0 3 306.450 2.328 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](NCc2ccns2)C12CCC2 ZINC001202876574 796300856 /nfs/dbraw/zinc/30/08/56/796300856.db2.gz IDVDXARPRLSNSF-CABCVRRESA-N 0 3 317.458 2.320 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(Cc3ccc(F)cc3)CC2)C1 ZINC001186178212 796369434 /nfs/dbraw/zinc/36/94/34/796369434.db2.gz XUBAVXVTAWGBFE-QGZVFWFLSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCn1cc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cn1 ZINC001139774748 796425400 /nfs/dbraw/zinc/42/54/00/796425400.db2.gz UETVTZJDAMWIBV-IRXDYDNUSA-N 0 3 306.429 2.467 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CCC(N4CCOC4=O)CC3)c2c1 ZINC001140115182 796478729 /nfs/dbraw/zinc/47/87/29/796478729.db2.gz POWCRIHJSXAZOQ-UHFFFAOYSA-N 0 3 324.384 2.456 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2ccon2)C12CCC2 ZINC001203169026 796494213 /nfs/dbraw/zinc/49/42/13/796494213.db2.gz NXELSPKJVUXGIF-KBPBESRZSA-N 0 3 323.824 2.377 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001187367736 796524918 /nfs/dbraw/zinc/52/49/18/796524918.db2.gz UUPUOUJBUUKRCW-QGZVFWFLSA-N 0 3 313.445 2.360 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@@H](NC[C@@H](F)CC)C2)CCOCC1 ZINC001187484894 796542434 /nfs/dbraw/zinc/54/24/34/796542434.db2.gz WQYIXFDVNHNWAR-LSDHHAIUSA-N 0 3 312.429 2.298 20 30 DEEDHN Cc1nn(C)c(C)c1CN1CCCN(c2ccc(C#N)cn2)CC1 ZINC001203060760 796563502 /nfs/dbraw/zinc/56/35/02/796563502.db2.gz RWBXQCJCFHSUHH-UHFFFAOYSA-N 0 3 324.432 2.016 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140750927 796567785 /nfs/dbraw/zinc/56/77/85/796567785.db2.gz CWDYATMHHTZJRB-AWEZNQCLSA-N 0 3 320.389 2.283 20 30 DEEDHN CC(C)(O)CCN1CCN(Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140755405 796568071 /nfs/dbraw/zinc/56/80/71/796568071.db2.gz DPDWGOXYZUOYHY-UHFFFAOYSA-N 0 3 323.387 2.115 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001188080692 796624745 /nfs/dbraw/zinc/62/47/45/796624745.db2.gz HATATPMPWNPBPD-DOTOQJQBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001188294471 796648173 /nfs/dbraw/zinc/64/81/73/796648173.db2.gz QXWNIQCKROVYHQ-MRXNPFEDSA-N 0 3 320.408 2.417 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)[C@@H]2C1 ZINC001188307075 796661627 /nfs/dbraw/zinc/66/16/27/796661627.db2.gz LAWCYAIAHFIUEY-BHYGNILZSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000838624263 796672080 /nfs/dbraw/zinc/67/20/80/796672080.db2.gz OVETWGBRWBEOJF-UHFFFAOYSA-N 0 3 304.781 2.288 20 30 DEEDHN CSc1nc(CN2CCN(CC(C)C)CC2)ccc1C#N ZINC001141934574 796699762 /nfs/dbraw/zinc/69/97/62/796699762.db2.gz PRPAGUNCMIDGNB-UHFFFAOYSA-N 0 3 304.463 2.449 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC001188634324 796701202 /nfs/dbraw/zinc/70/12/02/796701202.db2.gz NCCARAFWLBFGFX-MRXNPFEDSA-N 0 3 306.381 2.175 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)CC(=C)C)[C@@H]2C1 ZINC001188884425 796731990 /nfs/dbraw/zinc/73/19/90/796731990.db2.gz ISXFCAUSBWLBIH-YESZJQIVSA-N 0 3 306.450 2.324 20 30 DEEDHN COCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189086790 796768601 /nfs/dbraw/zinc/76/86/01/796768601.db2.gz ULOZGHQGHQTTOT-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN COCCCN1CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142921613 796785828 /nfs/dbraw/zinc/78/58/28/796785828.db2.gz QDMXLDCHCVKLGL-UHFFFAOYSA-N 0 3 312.417 2.194 20 30 DEEDHN CCCOCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189242026 796789499 /nfs/dbraw/zinc/78/94/99/796789499.db2.gz CUABBHJRVMBKJJ-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN CCOCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189307845 796805479 /nfs/dbraw/zinc/80/54/79/796805479.db2.gz AYBOQCJSZPTSJW-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN N#CC1(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001143183019 796809697 /nfs/dbraw/zinc/80/96/97/796809697.db2.gz MFNYGTQTYKYTNR-UHFFFAOYSA-N 0 3 311.429 2.361 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2cccc(F)c2)CCOCC1 ZINC001149317610 796840301 /nfs/dbraw/zinc/84/03/01/796840301.db2.gz KZVOYYQNURZZNN-UHFFFAOYSA-N 0 3 320.408 2.404 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cscc2C)C1 ZINC001189565107 796845736 /nfs/dbraw/zinc/84/57/36/796845736.db2.gz LDNJKDHKVDSMAV-CQSZACIVSA-N 0 3 308.447 2.405 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)CC2=CCCCC2)C1 ZINC001149389888 796848332 /nfs/dbraw/zinc/84/83/32/796848332.db2.gz BYOYMTCUPPQCPG-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN COCC#CCNCCNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001149741163 796891760 /nfs/dbraw/zinc/89/17/60/796891760.db2.gz YQHNNBJCHKEGOC-UHFFFAOYSA-N 0 3 308.466 2.195 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)CCc2csc(C)n2)C1 ZINC001189910552 796900871 /nfs/dbraw/zinc/90/08/71/796900871.db2.gz QRPKVGFHJMUDFR-INIZCTEOSA-N 0 3 319.474 2.330 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001150235191 796930575 /nfs/dbraw/zinc/93/05/75/796930575.db2.gz ZFTSHTZZSHKVKW-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001190106602 796932426 /nfs/dbraw/zinc/93/24/26/796932426.db2.gz WPNRMQZIMIFPQR-GDBMZVCRSA-N 0 3 320.458 2.128 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)CC2CCCC2)C1 ZINC001150404132 796941373 /nfs/dbraw/zinc/94/13/73/796941373.db2.gz UGFXUWDEVYXVSL-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001150613891 796960712 /nfs/dbraw/zinc/96/07/12/796960712.db2.gz OPFGILSPGMPCEU-SJLPKXTDSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2ccccc2F)C1 ZINC001150663564 796966680 /nfs/dbraw/zinc/96/66/80/796966680.db2.gz LVTUAYKTYJLKHS-INIZCTEOSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C[C@@H]2CCCO2)CC1 ZINC001150970979 796996600 /nfs/dbraw/zinc/99/66/00/796996600.db2.gz USXZPTBTNXXZKD-INIZCTEOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COC/C=C/c2ccccc2)C1 ZINC001190899722 797095938 /nfs/dbraw/zinc/09/59/38/797095938.db2.gz MMNQYYAPFMLQSS-HKMNZKMDSA-N 0 3 314.429 2.435 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC#Cc2ccccc2)cc1 ZINC001151952957 797123476 /nfs/dbraw/zinc/12/34/76/797123476.db2.gz NJYCUPPIQHICCA-UHFFFAOYSA-N 0 3 317.392 2.206 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C(C)C)C2)c1 ZINC001191541240 797219174 /nfs/dbraw/zinc/21/91/74/797219174.db2.gz PWOYGGMQVOGPSJ-HNNXBMFYSA-N 0 3 313.401 2.294 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)CCc1ccns1 ZINC001153024973 797270853 /nfs/dbraw/zinc/27/08/53/797270853.db2.gz IRINTMFSJHZONQ-CQSZACIVSA-N 0 3 307.463 2.316 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)NC(C)(C)C)CCCCC1 ZINC001152010131 797346799 /nfs/dbraw/zinc/34/67/99/797346799.db2.gz CVCKRKLZCVEBLY-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCCCCC=C)C[C@H]1O ZINC001192320439 797361387 /nfs/dbraw/zinc/36/13/87/797361387.db2.gz GWVCLDOQEIWCIS-IAGOWNOFSA-N 0 3 306.450 2.088 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001153768951 797391022 /nfs/dbraw/zinc/39/10/22/797391022.db2.gz KYJGYXWAYINCPQ-KDOFPFPSSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2nc(N)ccc21 ZINC001153813383 797401284 /nfs/dbraw/zinc/40/12/84/797401284.db2.gz WKXWBHMKJNRZJC-ZDUSSCGKSA-N 0 3 310.401 2.197 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(Cl)n[nH]c1CC ZINC001153814718 797402196 /nfs/dbraw/zinc/40/21/96/797402196.db2.gz UMWBQNKGQIMIQU-LLVKDONJSA-N 0 3 310.829 2.089 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001153819017 797403983 /nfs/dbraw/zinc/40/39/83/797403983.db2.gz KLKIWSFINIJEMV-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001153897650 797420121 /nfs/dbraw/zinc/42/01/21/797420121.db2.gz UPHQPYHGYXBFIH-WBVHZDCISA-N 0 3 313.445 2.070 20 30 DEEDHN CCCCCCC[C@H](C)NC(=O)NC1(CO)CCN(C)CC1 ZINC001192953627 797474549 /nfs/dbraw/zinc/47/45/49/797474549.db2.gz QIWSADQCBZQDJW-HNNXBMFYSA-N 0 3 313.486 2.491 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cccc2ncccc12 ZINC001154283565 797503816 /nfs/dbraw/zinc/50/38/16/797503816.db2.gz CCKIQOBYXBQKOS-OAHLLOKOSA-N 0 3 309.413 2.237 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1O ZINC001193231542 797526622 /nfs/dbraw/zinc/52/66/22/797526622.db2.gz IAKHCAWAJSLFRU-PMKBXARWSA-N 0 3 306.450 2.272 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ocnc1C(F)(F)F ZINC001154459643 797539732 /nfs/dbraw/zinc/53/97/32/797539732.db2.gz PWJNTJQTESDTNP-SNVBAGLBSA-N 0 3 317.311 2.157 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2ccco2)on1 ZINC001154533280 797555194 /nfs/dbraw/zinc/55/51/94/797555194.db2.gz VHFGAVPCBHNLDY-CYBMUJFWSA-N 0 3 315.373 2.398 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC001193673575 797607942 /nfs/dbraw/zinc/60/79/42/797607942.db2.gz JIBMWUCEEFSLHR-CYBMUJFWSA-N 0 3 324.371 2.314 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001193775041 797619166 /nfs/dbraw/zinc/61/91/66/797619166.db2.gz YYLFPLJEBPSJGL-IUIKQTSFSA-N 0 3 324.371 2.094 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001194016081 797663504 /nfs/dbraw/zinc/66/35/04/797663504.db2.gz NVZTUXICNVBDQI-BFHYXJOUSA-N 0 3 318.408 2.163 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001194032178 797665578 /nfs/dbraw/zinc/66/55/78/797665578.db2.gz LQYZGWJRGPWGIL-BRWVUGGUSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCC1(C(=O)NC[C@@H](C)N(CC)CC#CCOC)CC1 ZINC001155036847 797665691 /nfs/dbraw/zinc/66/56/91/797665691.db2.gz IBWKOKSPQGHJFV-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)COc2ccccc2)C1 ZINC001194062103 797671625 /nfs/dbraw/zinc/67/16/25/797671625.db2.gz YZYIOPAZFRHWMP-HZPDHXFCSA-N 0 3 302.418 2.420 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N(CC)CC#CCOC)CCC1 ZINC001155061901 797672638 /nfs/dbraw/zinc/67/26/38/797672638.db2.gz LAQZHGQRTHGZAQ-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001194368303 797714861 /nfs/dbraw/zinc/71/48/61/797714861.db2.gz QTVQCCKHPIZWAI-RFSXOUPVSA-N 0 3 318.461 2.014 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)SC)C2 ZINC001110460625 797758002 /nfs/dbraw/zinc/75/80/02/797758002.db2.gz MUHZGGPKJIONHI-TUVASFSCSA-N 0 3 312.479 2.052 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCc1cc(C2CC2)no1 ZINC001155445659 797758943 /nfs/dbraw/zinc/75/89/43/797758943.db2.gz BJXHZCXXLWUVEK-CYBMUJFWSA-N 0 3 321.421 2.129 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1ccnc(F)c1 ZINC001155469039 797764112 /nfs/dbraw/zinc/76/41/12/797764112.db2.gz UCWDTIZWMTUODG-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN CCOc1cccc(Cl)c1CNCCCNC(=O)[C@H](C)C#N ZINC001155848841 797865965 /nfs/dbraw/zinc/86/59/65/797865965.db2.gz PXGAOBVSEFPBRU-GFCCVEGCSA-N 0 3 323.824 2.494 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001155856473 797868007 /nfs/dbraw/zinc/86/80/07/797868007.db2.gz KGMUZXPGXMBXDE-GDBMZVCRSA-N 0 3 300.402 2.013 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2nccnc2N)CC1 ZINC001195348872 797884480 /nfs/dbraw/zinc/88/44/80/797884480.db2.gz IGZMNJQSRJCJSL-UHFFFAOYSA-N 0 3 319.453 2.177 20 30 DEEDHN CCCCCCCN1CCCN(C(=O)c2nnn(C)c2C)CC1 ZINC001195394849 797898523 /nfs/dbraw/zinc/89/85/23/797898523.db2.gz ZSZKWAJBIHFEJK-UHFFFAOYSA-N 0 3 321.469 2.242 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCC=C(Cl)Cl ZINC001156160087 797935740 /nfs/dbraw/zinc/93/57/40/797935740.db2.gz NSTISDLZTLXOLX-UHFFFAOYSA-N 0 3 309.237 2.384 20 30 DEEDHN C=CCOCCCC(=O)NCCCNCc1c(C)noc1CC ZINC001156165979 797937571 /nfs/dbraw/zinc/93/75/71/797937571.db2.gz QAKGEJPHCIJNBP-UHFFFAOYSA-N 0 3 323.437 2.124 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001156188610 797943055 /nfs/dbraw/zinc/94/30/55/797943055.db2.gz AQDRBXLSUVRWAQ-OAHLLOKOSA-N 0 3 312.429 2.135 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001195732767 797945110 /nfs/dbraw/zinc/94/51/10/797945110.db2.gz HUKNUHRNLQODIB-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001195830207 797973455 /nfs/dbraw/zinc/97/34/55/797973455.db2.gz ZBOAWUHUKWEFJU-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC/C=C\CC)C[C@H]2O)CCC1 ZINC001195896819 797976563 /nfs/dbraw/zinc/97/65/63/797976563.db2.gz AJPHWFOCKPGGPV-ILNYKDOHSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(C)nnc2C)CC1 ZINC001195966695 797985946 /nfs/dbraw/zinc/98/59/46/797985946.db2.gz SAWKYANDWFBFJE-UHFFFAOYSA-N 0 3 302.422 2.208 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CC)Oc1ccccc1F ZINC001156374129 797986326 /nfs/dbraw/zinc/98/63/26/797986326.db2.gz JTNSRHXWZWMXQZ-ZBFHGGJFSA-N 0 3 320.408 2.443 20 30 DEEDHN C#CCC1(C(=O)N2CCCN(C[C@H](CC)OC)CC2)CCC1 ZINC001196137589 798009093 /nfs/dbraw/zinc/00/90/93/798009093.db2.gz DSUCUMPYEVMCRC-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN Cc1nc(C#N)cc(-n2cncc2CNCc2ccccc2)n1 ZINC001156509665 798019321 /nfs/dbraw/zinc/01/93/21/798019321.db2.gz YLVLXECHZSIFIN-UHFFFAOYSA-N 0 3 304.357 2.132 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC001196325220 798039339 /nfs/dbraw/zinc/03/93/39/798039339.db2.gz KYUALKVZFPNOSM-UHFFFAOYSA-N 0 3 316.449 2.462 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CN(C)c1ccc(Cl)cn1 ZINC001156672432 798059731 /nfs/dbraw/zinc/05/97/31/798059731.db2.gz OACYJAVXCSRHFU-UHFFFAOYSA-N 0 3 324.856 2.138 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001156679550 798062177 /nfs/dbraw/zinc/06/21/77/798062177.db2.gz OVTNCXGGPUVQFA-KRWDZBQOSA-N 0 3 315.461 2.479 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC001156803820 798084194 /nfs/dbraw/zinc/08/41/94/798084194.db2.gz XTQLGGBLPHWKIY-ZIAGYGMSSA-N 0 3 306.381 2.053 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001196803878 798106655 /nfs/dbraw/zinc/10/66/55/798106655.db2.gz OTNMENUFDAFBHQ-BSDSXHPESA-N 0 3 320.477 2.330 20 30 DEEDHN CSc1nc(Cl)c(C#N)c(N2C[C@H]3[C@H](C2)CCCN3C)n1 ZINC001157260929 798172140 /nfs/dbraw/zinc/17/21/40/798172140.db2.gz ODSYQLXAXXWJBY-ONGXEEELSA-N 0 3 323.853 2.254 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2nn(C)c(C)c2Cl)CC1 ZINC001197283183 798172124 /nfs/dbraw/zinc/17/21/24/798172124.db2.gz DWYIPAVTMHPDBH-UHFFFAOYSA-N 0 3 324.856 2.496 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CC(F)(F)C(F)(F)F ZINC001157333431 798184491 /nfs/dbraw/zinc/18/44/91/798184491.db2.gz ITRZMICGOBBAKI-SECBINFHSA-N 0 3 300.271 2.034 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCC(=O)N(CC)CC)CC1 ZINC001197454571 798195756 /nfs/dbraw/zinc/19/57/56/798195756.db2.gz QRRDBLAAIJGZHO-UHFFFAOYSA-N 0 3 323.481 2.136 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CC(C)(C)CO1 ZINC001110494122 798228996 /nfs/dbraw/zinc/22/89/96/798228996.db2.gz IKYPHVBCIIHSFR-VQHPVUNQSA-N 0 3 318.461 2.327 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCN(CCCCCF)CC2)cn1 ZINC001197870869 798255746 /nfs/dbraw/zinc/25/57/46/798255746.db2.gz LRFIZHAVRHWNQD-UHFFFAOYSA-N 0 3 317.408 2.351 20 30 DEEDHN Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001206662989 798290415 /nfs/dbraw/zinc/29/04/15/798290415.db2.gz WBFFEASDMIRFNF-FIXISWKDSA-N 0 3 305.447 2.461 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001198342844 798319330 /nfs/dbraw/zinc/31/93/30/798319330.db2.gz BQJBIOATEUCAIP-QGZVFWFLSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001158237818 798366455 /nfs/dbraw/zinc/36/64/55/798366455.db2.gz LEPNRHORYIDVFM-VVLHAWIVSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)n1ccnc1CC ZINC001158420654 798404387 /nfs/dbraw/zinc/40/43/87/798404387.db2.gz JISXRTKUWAQKGJ-CYBMUJFWSA-N 0 3 312.845 2.245 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccncc2C1 ZINC001158474224 798412257 /nfs/dbraw/zinc/41/22/57/798412257.db2.gz STAUZLOGENNECT-SJLPKXTDSA-N 0 3 313.445 2.295 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001198904252 798418499 /nfs/dbraw/zinc/41/84/99/798418499.db2.gz FAKYEMKLBLVKAW-QZTJIDSGSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001199001516 798428658 /nfs/dbraw/zinc/42/86/58/798428658.db2.gz GNLQGMMDKLFLRA-HOCLYGCPSA-N 0 3 320.433 2.442 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001199164607 798447340 /nfs/dbraw/zinc/44/73/40/798447340.db2.gz VTVJZOJOEZVVKE-DJIMGWMZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001199218047 798452085 /nfs/dbraw/zinc/45/20/85/798452085.db2.gz XWVBTEDTAXCISK-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cccc2n[n-]nc21 ZINC001158712796 798455160 /nfs/dbraw/zinc/45/51/60/798455160.db2.gz LYPADDDIMFWGAA-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN CCO[C@H](C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199431108 798480691 /nfs/dbraw/zinc/48/06/91/798480691.db2.gz JECRVAADAHXIHF-CQSZACIVSA-N 0 3 315.417 2.064 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(c2cc(CN(C)C)ccn2)C1 ZINC001158915485 798490096 /nfs/dbraw/zinc/49/00/96/798490096.db2.gz SWILUUCVTXVMQU-HNNXBMFYSA-N 0 3 318.421 2.024 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2c(=O)o1 ZINC001158937082 798492328 /nfs/dbraw/zinc/49/23/28/798492328.db2.gz PBASEBVFTLWYIA-UHFFFAOYSA-N 0 3 320.776 2.255 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cn(CC)nc1C1CC1 ZINC001158976112 798498600 /nfs/dbraw/zinc/49/86/00/798498600.db2.gz RJOLFTXBXFKGQA-UHFFFAOYSA-N 0 3 310.829 2.242 20 30 DEEDHN COCC#CCNCCNC(=O)CCCc1cc(C)sc1C ZINC001152699346 798569061 /nfs/dbraw/zinc/56/90/61/798569061.db2.gz XXIIJYWKBSINBY-UHFFFAOYSA-N 0 3 322.474 2.043 20 30 DEEDHN Cc1cnc(N[C@@H](C)[C@@H]2CNCCO2)c(C#C[Si](C)(C)C)c1 ZINC001159498551 798572643 /nfs/dbraw/zinc/57/26/43/798572643.db2.gz LWNXBPZLUYCTEJ-HOCLYGCPSA-N 0 3 317.509 2.408 20 30 DEEDHN C#CCCCCC(=O)N1CCCO[C@@H](CNC/C=C/Cl)C1 ZINC001200322826 798615180 /nfs/dbraw/zinc/61/51/80/798615180.db2.gz SYZFDNNALCEKOO-PPYMECGQSA-N 0 3 312.841 2.140 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200335197 798616677 /nfs/dbraw/zinc/61/66/77/798616677.db2.gz XYFAPNZCTXALLW-MARXPDLDSA-N 0 3 321.248 2.213 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(N(C)C)cc1F ZINC001159882551 798621351 /nfs/dbraw/zinc/62/13/51/798621351.db2.gz DJOFCLPIUINMJP-UHFFFAOYSA-N 0 3 313.804 2.354 20 30 DEEDHN CC(C)C#CC(=O)N1CCC(NCc2ccncc2Cl)CC1 ZINC001200441322 798628682 /nfs/dbraw/zinc/62/86/82/798628682.db2.gz DKPLTDQUQNJRQW-UHFFFAOYSA-N 0 3 319.836 2.475 20 30 DEEDHN Cc1nocc1CNC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001200461834 798634300 /nfs/dbraw/zinc/63/43/00/798634300.db2.gz MWVHFPHYEXWWOV-UHFFFAOYSA-N 0 3 303.406 2.113 20 30 DEEDHN CC(C)C#CC(=O)N1CCCO[C@@H](CNCc2ccsc2)C1 ZINC001200469251 798643450 /nfs/dbraw/zinc/64/34/50/798643450.db2.gz HQCFDQCMBBZFIO-INIZCTEOSA-N 0 3 320.458 2.115 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CCCC[C@H](C)CC)CCCO1 ZINC001200598509 798655005 /nfs/dbraw/zinc/65/50/05/798655005.db2.gz PWKIOHGDCUXKRS-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1n[nH]c(CC)c1Cl ZINC001160151382 798655401 /nfs/dbraw/zinc/65/54/01/798655401.db2.gz XTPIBLPNOXQBKQ-UHFFFAOYSA-N 0 3 305.209 2.088 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccccc2C(C)C)CCCO1 ZINC001200641289 798660538 /nfs/dbraw/zinc/66/05/38/798660538.db2.gz AKAIURUZTDMFCS-MRXNPFEDSA-N 0 3 314.429 2.264 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001160217377 798662839 /nfs/dbraw/zinc/66/28/39/798662839.db2.gz VCOQZGQGEAZBFX-OAHLLOKOSA-N 0 3 321.852 2.459 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@@H](CNC/C=C\Cl)C2)CCC1 ZINC001200680270 798664935 /nfs/dbraw/zinc/66/49/35/798664935.db2.gz NHWRTQYMEKCQDZ-NOKKCYSASA-N 0 3 324.852 2.140 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC001160324100 798673627 /nfs/dbraw/zinc/67/36/27/798673627.db2.gz IHKGNJOOFWPFHO-MSOLQXFVSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@](C)(F)CCCC)CCCO1 ZINC001200843054 798686237 /nfs/dbraw/zinc/68/62/37/798686237.db2.gz WIQCUXGJXIXBKB-RDJZCZTQSA-N 0 3 312.429 2.135 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C(F)F)ncn2)CC1 ZINC001160485202 798694113 /nfs/dbraw/zinc/69/41/13/798694113.db2.gz ATBLQNJBVKPCAE-UHFFFAOYSA-N 0 3 322.359 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C#CCCCC(=O)N1CCC[C@H](NCc2scnc2C)C1 ZINC001207944109 800869188 /nfs/dbraw/zinc/86/91/88/800869188.db2.gz IVVUWXQIPXLXBC-AWEZNQCLSA-N 0 3 305.447 2.336 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001208356855 800964305 /nfs/dbraw/zinc/96/43/05/800964305.db2.gz DFPVUTQWTJKQGK-GDBMZVCRSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCOCC(C)C)C[C@H]2C)C1 ZINC001208544384 801008266 /nfs/dbraw/zinc/00/82/66/801008266.db2.gz KKYLGDKSVQYOSU-HZPDHXFCSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCCC)C1 ZINC001208920006 801093387 /nfs/dbraw/zinc/09/33/87/801093387.db2.gz ZVSQOZGVKGNMFV-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001208954284 801102309 /nfs/dbraw/zinc/10/23/09/801102309.db2.gz IHUXIISVIBMTDG-JFIYKMOQSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(CCCc2ccncc2)C1 ZINC001209192198 801147190 /nfs/dbraw/zinc/14/71/90/801147190.db2.gz YZZIKFBLZHFDOM-MRXNPFEDSA-N 0 3 303.406 2.391 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c(C)noc2C)C1 ZINC001209253483 801159823 /nfs/dbraw/zinc/15/98/23/801159823.db2.gz HSQBWQYOHXHMMP-HWWQOWPSSA-N 0 3 305.422 2.093 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCC(=O)N(CC)CC)C1 ZINC001209454340 801193753 /nfs/dbraw/zinc/19/37/53/801193753.db2.gz KRJNJMZYWPHEKQ-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C2CCC(F)CC2)CC1 ZINC001228999029 801207537 /nfs/dbraw/zinc/20/75/37/801207537.db2.gz MMGHVKSLCUJLAX-UHFFFAOYSA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnccc1N)C2 ZINC001209725108 801265684 /nfs/dbraw/zinc/26/56/84/801265684.db2.gz HDRPUNKLALFTPA-QZTJIDSGSA-N 0 3 317.433 2.068 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NCCCC)C1 ZINC001209865840 801297468 /nfs/dbraw/zinc/29/74/68/801297468.db2.gz LCSDWHLANOULGF-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001210018012 801322359 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C=C(C)CN(CCCNC(=O)[C@H](CC)OC)Cc1cccnc1 ZINC001230703935 801466674 /nfs/dbraw/zinc/46/66/74/801466674.db2.gz BYSAOWZFOBFFMS-KRWDZBQOSA-N 0 3 319.449 2.391 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230702219 801467255 /nfs/dbraw/zinc/46/72/55/801467255.db2.gz ZQZDALYZIMNSHC-MRXNPFEDSA-N 0 3 319.449 2.391 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC001210833042 801471812 /nfs/dbraw/zinc/47/18/12/801471812.db2.gz XMIFTQCFKULUGW-RHSMWYFYSA-N 0 3 302.418 2.250 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cn1cccn1 ZINC001230771995 801488978 /nfs/dbraw/zinc/48/89/78/801488978.db2.gz AAZMUASPHGHMJM-INIZCTEOSA-N 0 3 306.454 2.386 20 30 DEEDHN CN(C[C@H]1CCN1CCC1CCCC1)C(=O)CSCC#N ZINC001230819456 801502948 /nfs/dbraw/zinc/50/29/48/801502948.db2.gz VQLSZNWFICKDRY-OAHLLOKOSA-N 0 3 309.479 2.356 20 30 DEEDHN O=C(Cc1ccc[nH]1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001211194990 801528352 /nfs/dbraw/zinc/52/83/52/801528352.db2.gz VYVUHSBJFMYOMN-LJQANCHMSA-N 0 3 321.424 2.190 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H](NCc2cnc(C)s2)C1 ZINC001211355061 801552862 /nfs/dbraw/zinc/55/28/62/801552862.db2.gz LUHCKEIUPARQFQ-AWEZNQCLSA-N 0 3 323.462 2.125 20 30 DEEDHN CN(CCCNC(=O)C(C)(F)F)Cc1ccc(F)c(C#N)c1 ZINC001231153631 801595092 /nfs/dbraw/zinc/59/50/92/801595092.db2.gz OQEBDQFWNIWTFD-UHFFFAOYSA-N 0 3 313.323 2.291 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@H]1CCN1CCc1ccc(C)cc1 ZINC001231232188 801613593 /nfs/dbraw/zinc/61/35/93/801613593.db2.gz BTNKNWWRQKVLNP-GOSISDBHSA-N 0 3 316.445 2.273 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CCCCC1CCOCC1 ZINC001231293533 801627470 /nfs/dbraw/zinc/62/74/70/801627470.db2.gz ODBILSQAGVXISO-DOTOQJQBSA-N 0 3 321.465 2.276 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(F)CCCCC2)[C@H](OC)C1 ZINC001213667216 801633350 /nfs/dbraw/zinc/63/33/50/801633350.db2.gz TZYYHKSNGDCXJG-HUUCEWRRSA-N 0 3 312.429 2.440 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(CC)CC)C1 ZINC001214305606 801701439 /nfs/dbraw/zinc/70/14/39/801701439.db2.gz 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/nfs/dbraw/zinc/02/64/67/802026467.db2.gz LAIHFFBMJAVAAX-UHFFFAOYSA-N 0 3 304.413 2.289 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001216929724 802037565 /nfs/dbraw/zinc/03/75/65/802037565.db2.gz CJPPCRNNEVVNEA-IJLUTSLNSA-N 0 3 321.248 2.333 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cccc(N)n1)C2 ZINC001233369621 802093123 /nfs/dbraw/zinc/09/31/23/802093123.db2.gz VXNAAPHBLYVJKI-SFHVURJKSA-N 0 3 314.433 2.197 20 30 DEEDHN CC(C)CCCN1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217844006 802116859 /nfs/dbraw/zinc/11/68/59/802116859.db2.gz OZSZHHGVLSGXAH-DLBZAZTESA-N 0 3 320.477 2.384 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001218023651 802132963 /nfs/dbraw/zinc/13/29/63/802132963.db2.gz YDCFVPJHTKPXRN-JKSUJKDBSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@H]2C1 ZINC001218326446 802168820 /nfs/dbraw/zinc/16/88/20/802168820.db2.gz SKIBYMPGAFJYQB-XLAORIBOSA-N 0 3 318.461 2.300 20 30 DEEDHN C[C@@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1ccccc1C#N ZINC001218409847 802178940 /nfs/dbraw/zinc/17/89/40/802178940.db2.gz YIGDMNYTEJRHDO-PXAZEXFGSA-N 0 3 309.369 2.053 20 30 DEEDHN CN(C[C@@H]1CCN1CCCCCF)C(=O)c1c[nH]c(C#N)c1 ZINC001233743196 802195279 /nfs/dbraw/zinc/19/52/79/802195279.db2.gz UZPWNUJEXXSFQY-HNNXBMFYSA-N 0 3 306.385 2.172 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cncn1 ZINC001233749726 802196818 /nfs/dbraw/zinc/19/68/18/802196818.db2.gz BQOAGIFBRSJXBR-JKSUJKDBSA-N 0 3 319.453 2.118 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H](C)CC(=C)C)[C@H]2C1 ZINC001218522906 802198588 /nfs/dbraw/zinc/19/85/88/802198588.db2.gz DOXMGWTYBXFBMR-IXDOHACOSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C3CCC(F)CC3)[C@H]2C1 ZINC001218583068 802209803 /nfs/dbraw/zinc/20/98/03/802209803.db2.gz YHQSVCBWCOKDKW-SJJHQCBESA-N 0 3 324.440 2.393 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001234162916 802315688 /nfs/dbraw/zinc/31/56/88/802315688.db2.gz WOGKCHZJWVQGNH-ROUUACIJSA-N 0 3 320.477 2.120 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ncccc2C)[C@@H](O)C1 ZINC001219432518 802327935 /nfs/dbraw/zinc/32/79/35/802327935.db2.gz ANDQEWLHECWHON-CVEARBPZSA-N 0 3 319.449 2.135 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001234322453 802351620 /nfs/dbraw/zinc/35/16/20/802351620.db2.gz IJWRBCVHXHSIGT-CABCVRRESA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccc(Cl)c2C)[C@@H](O)C1 ZINC001219667969 802364583 /nfs/dbraw/zinc/36/45/83/802364583.db2.gz OIHKWVVEMRZMGA-CVEARBPZSA-N 0 3 322.836 2.390 20 30 DEEDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234514485 802398711 /nfs/dbraw/zinc/39/87/11/802398711.db2.gz WNNAYMZHJKNPNE-VIKVFOODSA-N 0 3 324.384 2.316 20 30 DEEDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234514485 802398720 /nfs/dbraw/zinc/39/87/20/802398720.db2.gz WNNAYMZHJKNPNE-VIKVFOODSA-N 0 3 324.384 2.316 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCC#CC)[C@@H](O)C1 ZINC001220184297 802422716 /nfs/dbraw/zinc/42/27/16/802422716.db2.gz BZRHSWGSCJWAMF-SJORKVTESA-N 0 3 306.450 2.088 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H](O)C1 ZINC001220224170 802428823 /nfs/dbraw/zinc/42/88/23/802428823.db2.gz BTEKGXZGFKWUMU-WQVCFCJDSA-N 0 3 318.417 2.287 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220293908 802441306 /nfs/dbraw/zinc/44/13/06/802441306.db2.gz YXFXFXXZENJPRL-RYRKJORJSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001220422362 802459318 /nfs/dbraw/zinc/45/93/18/802459318.db2.gz XQESHIWVPMLIQX-XKQJLSEDSA-N 0 3 320.408 2.264 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC2(C)CC2)[C@@H](O)C1 ZINC001220680108 802486230 /nfs/dbraw/zinc/48/62/30/802486230.db2.gz LJTUUANTQIKGHY-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)[C@@H](O)C1 ZINC001220775523 802496819 /nfs/dbraw/zinc/49/68/19/802496819.db2.gz AISXPZICDYUEHS-UPJWGTAASA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)C1 ZINC001220835222 802502949 /nfs/dbraw/zinc/50/29/49/802502949.db2.gz XOEZXUHAHJIQHZ-CABCVRRESA-N 0 3 308.809 2.081 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](O)C1 ZINC001220915738 802513318 /nfs/dbraw/zinc/51/33/18/802513318.db2.gz NESABEMNRZYDPI-XZJROXQQSA-N 0 3 324.371 2.094 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CCN(CCOC(C)C)C[C@H]21 ZINC001221492941 802582650 /nfs/dbraw/zinc/58/26/50/802582650.db2.gz OQNDFOMVJZEQDS-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(COC)CCCCC3)[C@@H]2C1 ZINC001221601566 802595449 /nfs/dbraw/zinc/59/54/49/802595449.db2.gz GZLLTRUFNUGLTK-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H](C=C)CC)[C@@H]2C1 ZINC001221761730 802612528 /nfs/dbraw/zinc/61/25/28/802612528.db2.gz CKHBCLYGMRUAOC-GVDBMIGSSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CCCCC1 ZINC001222038748 802634208 /nfs/dbraw/zinc/63/42/08/802634208.db2.gz QCKTVAZZSQZHJC-IAGOWNOFSA-N 0 3 320.477 2.428 20 30 DEEDHN N#Cc1cccnc1CO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001222743079 802735291 /nfs/dbraw/zinc/73/52/91/802735291.db2.gz YHPZGWCZSPPZRJ-WKILWMFISA-N 0 3 301.390 2.113 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001223900997 802822204 /nfs/dbraw/zinc/82/22/04/802822204.db2.gz SPJHCVKLGMHZMH-MSOLQXFVSA-N 0 3 318.461 2.186 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224524389 802879192 /nfs/dbraw/zinc/87/91/92/802879192.db2.gz UVHIZNIVNIFEBC-CQSZACIVSA-N 0 3 313.873 2.051 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2c(C)noc2Cl)CC1 ZINC001224846948 802909447 /nfs/dbraw/zinc/90/94/47/802909447.db2.gz UWQAHUWFULIEDC-UHFFFAOYSA-N 0 3 323.824 2.030 20 30 DEEDHN C#CCN1CCC(CNC(=O)COc2ccccc2CC)CC1 ZINC001225332823 802955765 /nfs/dbraw/zinc/95/57/65/802955765.db2.gz DYKKRPQQSRQDJE-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C#N)sn1 ZINC001225426017 802963847 /nfs/dbraw/zinc/96/38/47/802963847.db2.gz CKOMDFRCLZUNRT-LERXQTSPSA-N 0 3 306.435 2.128 20 30 DEEDHN C=CCCOCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225625895 802992940 /nfs/dbraw/zinc/99/29/40/802992940.db2.gz PWOFUGBOQHGWNC-UHFFFAOYSA-N 0 3 322.371 2.360 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001225631817 802993417 /nfs/dbraw/zinc/99/34/17/802993417.db2.gz RZJUARZUDOTMEZ-DZGCQCFKSA-N 0 3 300.418 2.154 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001225631403 802993806 /nfs/dbraw/zinc/99/38/06/802993806.db2.gz NLTPBRVLEKQBOR-HNNXBMFYSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001226474396 803113786 /nfs/dbraw/zinc/11/37/86/803113786.db2.gz LEJMOMDFKJNBHQ-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN COc1cccc([C@H](C)N2CCC(NC(=O)[C@H](C)C#N)CC2)c1 ZINC001226647541 803135951 /nfs/dbraw/zinc/13/59/51/803135951.db2.gz AQIJIXISRNIPTL-KGLIPLIRSA-N 0 3 315.417 2.496 20 30 DEEDHN C#CCCCC(=O)NC1CCN(CCc2ccns2)CC1 ZINC001227109043 803203708 /nfs/dbraw/zinc/20/37/08/803203708.db2.gz YXWAFSORGZXADX-UHFFFAOYSA-N 0 3 305.447 2.070 20 30 DEEDHN C=CCC(CC=C)C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001227520908 803246813 /nfs/dbraw/zinc/24/68/13/803246813.db2.gz ULTRDIHDMWRVNN-UHFFFAOYSA-N 0 3 316.449 2.232 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)CC ZINC001227972631 803300729 /nfs/dbraw/zinc/30/07/29/803300729.db2.gz DKVLAFKXKXCNHB-RRFJBIMHSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001228090500 803319412 /nfs/dbraw/zinc/31/94/12/803319412.db2.gz ZDPZEWIMWWLYBC-XHSDSOJGSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccncc2CC)CC1 ZINC001228095930 803319903 /nfs/dbraw/zinc/31/99/03/803319903.db2.gz IFXQXPIMDWZFCT-UHFFFAOYSA-N 0 3 317.433 2.041 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001228269256 803337120 /nfs/dbraw/zinc/33/71/20/803337120.db2.gz CRFAGGNZECGEAW-HZPDHXFCSA-N 0 3 304.438 2.293 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228750141 803406455 /nfs/dbraw/zinc/40/64/55/803406455.db2.gz WLUSUDFOCUZNMT-HUUCEWRRSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001228970394 803438128 /nfs/dbraw/zinc/43/81/28/803438128.db2.gz CMJHXARNMUZOQW-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCCNCc1snnc1C ZINC001330881768 1149321714 /nfs/dbraw/zinc/32/17/14/1149321714.db2.gz CXQJSPKSSMLIFV-NSHDSACASA-N 0 3 310.467 2.433 20 30 DEEDHN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001370092978 1149386573 /nfs/dbraw/zinc/38/65/73/1149386573.db2.gz MDPBAKSNFVVCJZ-UONOGXRCSA-N 0 3 313.873 2.050 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCOCC(F)F)C(C)(C)C1 ZINC001328083396 1148717508 /nfs/dbraw/zinc/71/75/08/1148717508.db2.gz UFHUHNKLSCYDCL-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccnn1C1CCCC1 ZINC001331462784 1149468934 /nfs/dbraw/zinc/46/89/34/1149468934.db2.gz YJNXGJYUNYUVBK-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN Cc1ccc(C)c(OC[C@@H](O)CNCC#C[C@@H]2CCCCO2)c1 ZINC001335485613 1150431553 /nfs/dbraw/zinc/43/15/53/1150431553.db2.gz MYMNZPDNINBRTQ-ROUUACIJSA-N 0 3 317.429 2.205 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NCC(=O)NC(C)(C)C)CC1 ZINC001331547427 1149524579 /nfs/dbraw/zinc/52/45/79/1149524579.db2.gz NLSKWLPMPUVVFO-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(P(C)(C)=O)cc1 ZINC001331645358 1149571360 /nfs/dbraw/zinc/57/13/60/1149571360.db2.gz XGWHWGDGXDKJBG-AWEZNQCLSA-N 0 3 320.373 2.008 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)Nc1ccccn1 ZINC001342918882 1150627412 /nfs/dbraw/zinc/62/74/12/1150627412.db2.gz QBUIKOHDSPIETE-GUTXKFCHSA-N 0 3 313.357 2.077 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC001343489275 1150745878 /nfs/dbraw/zinc/74/58/78/1150745878.db2.gz YEUCKUAPTKSMTK-GFCCVEGCSA-N 0 3 305.353 2.333 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cnc2c(F)cccc2c1 ZINC001327240292 1148402753 /nfs/dbraw/zinc/40/27/53/1148402753.db2.gz ZGANAWRBEXRWGT-UHFFFAOYSA-N 0 3 313.376 2.401 20 30 DEEDHN CCSc1ccccc1CC(=O)C(C#N)C(=O)NC1CC1 ZINC001343590893 1150755358 /nfs/dbraw/zinc/75/53/58/1150755358.db2.gz RRYMVLPPDJIANM-ZDUSSCGKSA-N 0 3 302.399 2.329 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)NCc1ccc(CC)cc1 ZINC001331772200 1149671067 /nfs/dbraw/zinc/67/10/67/1149671067.db2.gz ODSRCKOUKGHVFT-MRXNPFEDSA-N 0 3 304.434 2.028 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cscc1Br ZINC001580049504 1067481623 /nfs/dbraw/zinc/48/16/23/1067481623.db2.gz UDSVIWDRWQMPCC-QMMMGPOBSA-N 0 3 302.197 2.470 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2cccc(F)c2)CC1 ZINC001522344067 1069345185 /nfs/dbraw/zinc/34/51/85/1069345185.db2.gz SLMCAQBUMMDENC-INIZCTEOSA-N 0 3 305.397 2.158 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cn[nH]n1 ZINC001575065018 1069354191 /nfs/dbraw/zinc/35/41/91/1069354191.db2.gz COQSCNSAWSFHMS-UKRRQHHQSA-N 0 3 319.453 2.124 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNCc1c[nH]nn1 ZINC001575065018 1069354197 /nfs/dbraw/zinc/35/41/97/1069354197.db2.gz COQSCNSAWSFHMS-UKRRQHHQSA-N 0 3 319.453 2.124 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)COCC2CCCC2)C1 ZINC001368481099 1148462404 /nfs/dbraw/zinc/46/24/04/1148462404.db2.gz WSLKDTQTAKHBCQ-GASCZTMLSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(C)CCC(=O)NCCCN(C)C(=O)CN1CCC(C)(C)C1 ZINC001523425714 1069668501 /nfs/dbraw/zinc/66/85/01/1069668501.db2.gz LNOFCCJRLILHMJ-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CCC(=O)NC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001350905559 1151424769 /nfs/dbraw/zinc/42/47/69/1151424769.db2.gz DRFKJUAVWAVFKE-QGZVFWFLSA-N 0 3 323.481 2.036 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC001524008620 1069792888 /nfs/dbraw/zinc/79/28/88/1069792888.db2.gz IATBLHOBDJRBML-RRFJBIMHSA-N 0 3 308.422 2.453 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001368966996 1148810555 /nfs/dbraw/zinc/81/05/55/1148810555.db2.gz VTBOSIXZEBWFDD-LLVKDONJSA-N 0 3 310.829 2.091 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001526081991 1070217415 /nfs/dbraw/zinc/21/74/15/1070217415.db2.gz GWQXNQVTDBWAJQ-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N[C@@H](C)CC ZINC001328621843 1148817839 /nfs/dbraw/zinc/81/78/39/1148817839.db2.gz XOJICPFHJKYTBV-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCC(F)F ZINC001328687168 1148824652 /nfs/dbraw/zinc/82/46/52/1148824652.db2.gz ZDANFHLSZHESHL-RHSMWYFYSA-N 0 3 306.356 2.427 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1cc(C)[nH]c1C ZINC001328766871 1148833363 /nfs/dbraw/zinc/83/33/63/1148833363.db2.gz VSHGYPQOEKNWHJ-INIZCTEOSA-N 0 3 319.449 2.371 20 30 DEEDHN CN1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C(C)(C)C1 ZINC001456155984 1057822544 /nfs/dbraw/zinc/82/25/44/1057822544.db2.gz BFCVLZUFTSVEPX-HNNXBMFYSA-N 0 3 315.417 2.172 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC001460153395 1058271115 /nfs/dbraw/zinc/27/11/15/1058271115.db2.gz YWDSEJZJCVNSDH-ZWKOTPCHSA-N 0 3 300.402 2.340 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1cncs1)C1CCCC1 ZINC001500076671 1058473440 /nfs/dbraw/zinc/47/34/40/1058473440.db2.gz JLTSJQOUHFGRGT-SMDDNHRTSA-N 0 3 306.435 2.067 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3cccnc3n2)CC1 ZINC001500427044 1058773593 /nfs/dbraw/zinc/77/35/93/1058773593.db2.gz GZUOLFKMCHWLHJ-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001500482043 1058832744 /nfs/dbraw/zinc/83/27/44/1058832744.db2.gz NQLIIZAAZKIYRJ-FUHWJXTLSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)CSCCC)C1 ZINC001500608020 1058955087 /nfs/dbraw/zinc/95/50/87/1058955087.db2.gz UQQPVAVPPCGZPG-CYBMUJFWSA-N 0 3 318.433 2.226 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001500732433 1059044937 /nfs/dbraw/zinc/04/49/37/1059044937.db2.gz ILBOISDQUJNZJV-FUHWJXTLSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1CCCCN1CC ZINC001533519658 1071866410 /nfs/dbraw/zinc/86/64/10/1071866410.db2.gz MGIYLOLNXKYKFT-MOEXGYKKSA-N 0 3 321.465 2.006 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001501193986 1059364674 /nfs/dbraw/zinc/36/46/74/1059364674.db2.gz XFCSDYLDYQTQAV-GJZGRUSLSA-N 0 3 306.356 2.139 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCc3ccc(C)cc3)C[C@@H]2C1 ZINC001501229903 1059392546 /nfs/dbraw/zinc/39/25/46/1059392546.db2.gz LKGLXHFPURXHBM-KDURUIRLSA-N 0 3 310.441 2.341 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001368573976 1148502819 /nfs/dbraw/zinc/50/28/19/1148502819.db2.gz ZHIQNYZZZJTHPB-CTYIDZIISA-N 0 3 324.856 2.243 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1CNCCF)OCC ZINC001501874440 1059755181 /nfs/dbraw/zinc/75/51/81/1059755181.db2.gz KHXOMQWHKNFSII-CABCVRRESA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@H](CNC[C@@H](F)CC)C1 ZINC001502079778 1059913690 /nfs/dbraw/zinc/91/36/90/1059913690.db2.gz XJGXIFSJIQVKMN-UONOGXRCSA-N 0 3 300.418 2.154 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C1(c2cccnc2)CCCC1 ZINC001502367915 1060078337 /nfs/dbraw/zinc/07/83/37/1060078337.db2.gz VPNQVICROFMNIN-UHFFFAOYSA-N 0 3 313.445 2.307 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cccc(C)c1C ZINC001502394423 1060105168 /nfs/dbraw/zinc/10/51/68/1060105168.db2.gz UPXFYYRKIRGJDM-UHFFFAOYSA-N 0 3 316.445 2.347 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)COC ZINC001502521536 1060164222 /nfs/dbraw/zinc/16/42/22/1060164222.db2.gz CVFBPEOGGKMOCN-QAPCUYQASA-N 0 3 316.445 2.388 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)COc2ccccc2)C(C)(C)C1 ZINC001502836342 1060343847 /nfs/dbraw/zinc/34/38/47/1060343847.db2.gz ODFDHQCKQGZDBC-MRXNPFEDSA-N 0 3 302.418 2.468 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC001502846271 1060353955 /nfs/dbraw/zinc/35/39/55/1060353955.db2.gz YQOIHRWLZOCHTC-INIZCTEOSA-N 0 3 307.482 2.073 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@H](C)NCc1cc(C)ncn1 ZINC001503463303 1060446961 /nfs/dbraw/zinc/44/69/61/1060446961.db2.gz ARYHZEGBCYIFNQ-SUMWQHHRSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCOC(C)C ZINC001505412960 1060550093 /nfs/dbraw/zinc/55/00/93/1060550093.db2.gz SZVASGJFKSUMHU-SJLPKXTDSA-N 0 3 302.418 2.359 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CC(CNCc2cc(C)ncn2)C1 ZINC001505513924 1060670286 /nfs/dbraw/zinc/67/02/86/1060670286.db2.gz UTFXWJQNPAUHBS-FHERZECASA-N 0 3 316.449 2.372 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)C1=COCCC1 ZINC001505576227 1060729902 /nfs/dbraw/zinc/72/99/02/1060729902.db2.gz WVJABXRPPUBVTJ-VXGBXAGGSA-N 0 3 319.430 2.297 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1nccs1 ZINC001505716522 1060895496 /nfs/dbraw/zinc/89/54/96/1060895496.db2.gz IFRYBNGNSXKZCX-ZIAGYGMSSA-N 0 3 313.426 2.291 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CCN1CC[C@H](C)F ZINC001479263904 1061342983 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CC#CCN(CCCNC(=O)c1csc(Cl)n1)C1CC1 ZINC001479878851 1061976322 /nfs/dbraw/zinc/97/63/22/1061976322.db2.gz NJTPVHLTNPRNQO-UHFFFAOYSA-N 0 3 311.838 2.404 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H](F)Cc1ccccc1)C1CC1 ZINC001479881309 1061985248 /nfs/dbraw/zinc/98/52/48/1061985248.db2.gz ZOVQJOFQGRWIAQ-QGZVFWFLSA-N 0 3 302.393 2.171 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(CCCCCF)C2)c1 ZINC001479901910 1062013480 /nfs/dbraw/zinc/01/34/80/1062013480.db2.gz SSHCRSDXJJFVPU-CQSZACIVSA-N 0 3 306.385 2.220 20 30 DEEDHN CCC[C@@H](C)C(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001479978423 1062139619 /nfs/dbraw/zinc/13/96/19/1062139619.db2.gz KTYKGEKRHZSOHI-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1cccnc1CN1CCC2(C[C@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001479978928 1062140016 /nfs/dbraw/zinc/14/00/16/1062140016.db2.gz ZKRGSQDAVQCLFA-GOEBONIOSA-N 0 3 312.417 2.020 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001479995390 1062158375 /nfs/dbraw/zinc/15/83/75/1062158375.db2.gz NYTTVXFVXZFJEB-SJORKVTESA-N 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Cc1cccc(OCCN(C)C[C@@H](C)NC(=O)C#CC(C)C)c1 ZINC001569116499 1065297135 /nfs/dbraw/zinc/29/71/35/1065297135.db2.gz XEIKRKCPFUVFBJ-QGZVFWFLSA-N 0 3 316.445 2.470 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001569247676 1065394218 /nfs/dbraw/zinc/39/42/18/1065394218.db2.gz YHDCHLJCBDZEKJ-QWHCGFSZSA-N 0 3 315.255 2.379 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001569364172 1065460148 /nfs/dbraw/zinc/46/01/48/1065460148.db2.gz BVUGRMHCCSDBNR-NEPJUHHUSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(CC)c[nH]c1=O ZINC001569379864 1065475915 /nfs/dbraw/zinc/47/59/15/1065475915.db2.gz JXLQGTDYYMMKII-CQSZACIVSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001569383349 1065479117 /nfs/dbraw/zinc/47/91/17/1065479117.db2.gz PGIBAFBMZGVQHN-XJKSGUPXSA-N 0 3 318.465 2.362 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001569383272 1065479298 /nfs/dbraw/zinc/47/92/98/1065479298.db2.gz 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C=CCOCC(=O)N[C@]1(C)CCN(Cc2cccc(C)c2)C1 ZINC001569632095 1065635270 /nfs/dbraw/zinc/63/52/70/1065635270.db2.gz MJSPZJIRURAPLU-GOSISDBHSA-N 0 3 302.418 2.278 20 30 DEEDHN C#CCCCC(=O)N[C@@]1(C)CCN(CCc2scnc2C)C1 ZINC001569637367 1065637241 /nfs/dbraw/zinc/63/72/41/1065637241.db2.gz JEKADKRRODRLSE-KRWDZBQOSA-N 0 3 319.474 2.378 20 30 DEEDHN CC(C)C#CC(=O)N[C@@]1(C)CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001569637183 1065638361 /nfs/dbraw/zinc/63/83/61/1065638361.db2.gz GYRZNKNHUYKFKB-QAPCUYQASA-N 0 3 306.450 2.042 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001569646756 1065647650 /nfs/dbraw/zinc/64/76/50/1065647650.db2.gz RGAOKPPRMXSWSH-YJBOKZPZSA-N 0 3 318.465 2.146 20 30 DEEDHN Cc1cccc(CN(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)c1 ZINC001496689573 1065650340 /nfs/dbraw/zinc/65/03/40/1065650340.db2.gz SWBLIEAMVIHOED-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCCCC(=O)N1CC[C@](C)(CNCc2cnc(C)o2)C1 ZINC001569666149 1065659678 /nfs/dbraw/zinc/65/96/78/1065659678.db2.gz 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COCC#CCNC1(CNC(=O)C[C@@H]2CC=CCC2)CCC1 ZINC001570114298 1065929749 /nfs/dbraw/zinc/92/97/49/1065929749.db2.gz ZARTXZOMDHMBSA-MRXNPFEDSA-N 0 3 304.434 2.011 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001570177830 1065955381 /nfs/dbraw/zinc/95/53/81/1065955381.db2.gz TVDZCZFDWLXRFY-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccnc(-c2ccco2)c1 ZINC001570198986 1065973082 /nfs/dbraw/zinc/97/30/82/1065973082.db2.gz SVNGUJAZNQJYGI-UHFFFAOYSA-N 0 3 311.385 2.369 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1sc(CC2CC2)nc1C ZINC001570214549 1065974035 /nfs/dbraw/zinc/97/40/35/1065974035.db2.gz QYACAYVSCGDUCW-UHFFFAOYSA-N 0 3 319.474 2.431 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001570214324 1065974779 /nfs/dbraw/zinc/97/47/79/1065974779.db2.gz NBFXYWGZZICNLV-CQSZACIVSA-N 0 3 300.402 2.037 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001570218040 1065976410 /nfs/dbraw/zinc/97/64/10/1065976410.db2.gz IRCYXHAEKBFNQO-UHFFFAOYSA-N 0 3 322.493 2.489 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001570290618 1066004787 /nfs/dbraw/zinc/00/47/87/1066004787.db2.gz BFHIHSPJKHHWMD-FUHWJXTLSA-N 0 3 308.466 2.025 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc2nccn2c1 ZINC001497305098 1066017071 /nfs/dbraw/zinc/01/70/71/1066017071.db2.gz UMWCFAOVCMWETE-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](NCc2cccnc2)[C@@H](C)C1 ZINC001570336881 1066019318 /nfs/dbraw/zinc/01/93/18/1066019318.db2.gz OMEPMUIAIGBAHZ-RDJZCZTQSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)C(C)(C)C1 ZINC001570397595 1066050401 /nfs/dbraw/zinc/05/04/01/1066050401.db2.gz KTFCFOXUOPCVOM-OAHLLOKOSA-N 0 3 317.433 2.123 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)CCCCC)CC2)C1 ZINC001570400514 1066053326 /nfs/dbraw/zinc/05/33/26/1066053326.db2.gz AWGXHGRFJNFEPL-UHFFFAOYSA-N 0 3 307.482 2.361 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CC)CCNCc1ccc(C)c(F)c1 ZINC001497377899 1066059823 /nfs/dbraw/zinc/05/98/23/1066059823.db2.gz UCLDYSHHMIXKLR-SFHVURJKSA-N 0 3 322.424 2.399 20 30 DEEDHN C#CCN1CCN(CCCCCNC(=O)/C=C\C(C)(C)C)CC1 ZINC001570482244 1066090514 /nfs/dbraw/zinc/09/05/14/1066090514.db2.gz DXDHYASEQHPXST-KTKRTIGZSA-N 0 3 319.493 2.126 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCCO ZINC001570519300 1066103033 /nfs/dbraw/zinc/10/30/33/1066103033.db2.gz IWQWIYUZMVZJJI-SJLPKXTDSA-N 0 3 316.445 2.343 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)CCc1ccccc1C ZINC001497460039 1066105645 /nfs/dbraw/zinc/10/56/45/1066105645.db2.gz IXZMIFJUPVFWSC-UHFFFAOYSA-N 0 3 316.445 2.016 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(CCNC(=O)[C@@H](CC)N(C)C)C1CC1 ZINC001497474413 1066110987 /nfs/dbraw/zinc/11/09/87/1066110987.db2.gz KOCHYMPZALZUES-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC001497970238 1066438619 /nfs/dbraw/zinc/43/86/19/1066438619.db2.gz LPZNTMLUYPUIHO-OAHLLOKOSA-N 0 3 302.418 2.168 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1CC(C)C1 ZINC001498026929 1066467090 /nfs/dbraw/zinc/46/70/90/1066467090.db2.gz VRUXEIYEVPUINL-BBBYJDLNSA-N 0 3 302.393 2.318 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001498038320 1066474324 /nfs/dbraw/zinc/47/43/24/1066474324.db2.gz RQQGSXWPBNBQHA-AWEZNQCLSA-N 0 3 313.376 2.222 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NC(=O)CN(CC)CC)CC1 ZINC001576413725 1066599262 /nfs/dbraw/zinc/59/92/62/1066599262.db2.gz PAHLGONDITWYPZ-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498355994 1066651423 /nfs/dbraw/zinc/65/14/23/1066651423.db2.gz LJUUBLIAAWGUEY-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1c(C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)ccn1C ZINC001498376297 1066664554 /nfs/dbraw/zinc/66/45/54/1066664554.db2.gz IYVYZPAXIJYNNR-CQSZACIVSA-N 0 3 324.428 2.456 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)CC2(CCCCC2)O1 ZINC001576759909 1066681269 /nfs/dbraw/zinc/68/12/69/1066681269.db2.gz GBLNAWHQACXJKG-CABCVRRESA-N 0 3 307.438 2.348 20 30 DEEDHN C[C@H]1CN(C(=O)[C@H](N)CCCCC#N)c2cccc(F)c2O1 ZINC001576759690 1066681907 /nfs/dbraw/zinc/68/19/07/1066681907.db2.gz BKPJKNKPGXUQGF-WCQYABFASA-N 0 3 305.353 2.351 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001498442146 1066708704 /nfs/dbraw/zinc/70/87/04/1066708704.db2.gz BQXUMCSCZVAHOB-QAPCUYQASA-N 0 3 302.418 2.315 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnn(CC(C)C)c1C ZINC001634640843 1078434114 /nfs/dbraw/zinc/43/41/14/1078434114.db2.gz OMLDCMYYRYQVPH-UHFFFAOYSA-N 0 3 306.454 2.427 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001498976227 1066994953 /nfs/dbraw/zinc/99/49/53/1066994953.db2.gz AAZWJTFZBMZGTM-QGZVFWFLSA-N 0 3 314.429 2.034 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001499137515 1067115005 /nfs/dbraw/zinc/11/50/05/1067115005.db2.gz IDKGQJXJDMHXAY-SJORKVTESA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1c[nH]c2ccccc21 ZINC001483360127 1078480008 /nfs/dbraw/zinc/48/00/08/1078480008.db2.gz XTOJWIGREWPCOR-AWEZNQCLSA-N 0 3 315.417 2.421 20 30 DEEDHN CC[C@H](C(=O)NC[C@H](C)NCC#CCOC)c1ccc(F)cc1 ZINC001266993658 1078486367 /nfs/dbraw/zinc/48/63/67/1078486367.db2.gz BPDXLOLBWQITRX-YOEHRIQHSA-N 0 3 320.408 2.063 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001499501283 1067238944 /nfs/dbraw/zinc/23/89/44/1067238944.db2.gz BKWPLXYZORUYBE-SJORKVTESA-N 0 3 304.434 2.221 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2coc3cc(F)ccc23)C1 ZINC001267010143 1078496386 /nfs/dbraw/zinc/49/63/86/1078496386.db2.gz KZSWORTYAVMPET-HNNXBMFYSA-N 0 3 314.360 2.328 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](C)OCC(C)C)C2)CC1 ZINC001499579102 1067266896 /nfs/dbraw/zinc/26/68/96/1067266896.db2.gz YVAKDKPTXVARPC-KRWDZBQOSA-N 0 3 320.477 2.385 20 30 DEEDHN CSc1ccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1C#N ZINC001579388557 1067324785 /nfs/dbraw/zinc/32/47/85/1067324785.db2.gz XRCYKONOAQKBKN-VXGBXAGGSA-N 0 3 318.446 2.172 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](NCc2cnns2)C[C@H]1C ZINC001499824593 1067348065 /nfs/dbraw/zinc/34/80/65/1067348065.db2.gz OYQNWEOUXMZMST-ZIAGYGMSSA-N 0 3 320.462 2.201 20 30 DEEDHN Cc1cccc(CC2CN(C(=O)C3CC4(C3)CNC[C@H]4C#N)C2)c1 ZINC001579759386 1067417866 /nfs/dbraw/zinc/41/78/66/1067417866.db2.gz GGTFEGYURKDPJX-QPIRBTGLSA-N 0 3 323.440 2.135 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1C ZINC001483425666 1078525288 /nfs/dbraw/zinc/52/52/88/1078525288.db2.gz FOJKZVNVDHMEOU-ZDUSSCGKSA-N 0 3 303.406 2.190 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cnc(OCC)cn1 ZINC001670734850 1078529420 /nfs/dbraw/zinc/52/94/20/1078529420.db2.gz PLUOMQMFQPYUNM-KGLIPLIRSA-N 0 3 318.421 2.034 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCC=C(c3ccco3)C1)C2 ZINC001580041624 1067479855 /nfs/dbraw/zinc/47/98/55/1067479855.db2.gz FUBYFOAEPGGSDA-SWKXRBFHSA-N 0 3 311.385 2.035 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC001580050910 1067483211 /nfs/dbraw/zinc/48/32/11/1067483211.db2.gz QQRLVLKHCDUMFS-ZDUSSCGKSA-N 0 3 315.352 2.361 20 30 DEEDHN CN(CCCNCc1ccccc1C#N)C(=O)c1cncs1 ZINC001483454359 1078541542 /nfs/dbraw/zinc/54/15/42/1078541542.db2.gz NYECAQIBWZXZBC-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN C=CCCC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)OC ZINC001638401672 1078563468 /nfs/dbraw/zinc/56/34/68/1078563468.db2.gz TXYUOZDZVMQXPW-LSDHHAIUSA-N 0 3 310.438 2.265 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001267110630 1078588639 /nfs/dbraw/zinc/58/86/39/1078588639.db2.gz GTVXBHQTRBFMFV-DLBZAZTESA-N 0 3 311.429 2.058 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)onc2CC)C1 ZINC001267114863 1078592772 /nfs/dbraw/zinc/59/27/72/1078592772.db2.gz MWWXGONGUWMRBW-CQSZACIVSA-N 0 3 303.406 2.105 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H](CNCc1cncs1)C1CC1 ZINC001483559688 1078596814 /nfs/dbraw/zinc/59/68/14/1078596814.db2.gz JHEXIMBGHRKAJX-AWEZNQCLSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](CNCc2cncn2C)C2CC2)CCC1 ZINC001483585720 1078614013 /nfs/dbraw/zinc/61/40/13/1078614013.db2.gz JKTXBELXMIEQSS-INIZCTEOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNCc1cn(C)nc1C)C1CC1 ZINC001483579258 1078609443 /nfs/dbraw/zinc/60/94/43/1078609443.db2.gz PLLWVTLLSXBGQP-MRXNPFEDSA-N 0 3 318.465 2.315 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CC(CNCc2nccnc2C)C1 ZINC001570572002 1068014300 /nfs/dbraw/zinc/01/43/00/1068014300.db2.gz OPKHPPOGRLCYSP-JTTJXQCZSA-N 0 3 316.449 2.372 20 30 DEEDHN CCOCC(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570586777 1068021225 /nfs/dbraw/zinc/02/12/25/1068021225.db2.gz CMCOTVRLCHFNEG-UONOGXRCSA-N 0 3 322.836 2.211 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccncc1 ZINC001570585470 1068021249 /nfs/dbraw/zinc/02/12/49/1068021249.db2.gz VYZRNOFYTBIPSC-HOTGVXAUSA-N 0 3 307.397 2.230 20 30 DEEDHN Cc1ccc(F)c(CN[C@@H](C)[C@H](C)NC(=O)CSCC#N)c1 ZINC001570589754 1068023384 /nfs/dbraw/zinc/02/33/84/1068023384.db2.gz JNIBAOJYMTXCJG-STQMWFEESA-N 0 3 323.437 2.374 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001267879154 1079564039 /nfs/dbraw/zinc/56/40/39/1079564039.db2.gz BMEHJHBNHOSCQD-ZDUSSCGKSA-N 0 3 323.824 2.372 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC(=O)N(CC)C1CC1 ZINC001570624236 1068044320 /nfs/dbraw/zinc/04/43/20/1068044320.db2.gz JBZSTQROWAMODT-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C/C=C/c1ccccc1 ZINC001570710745 1068084492 /nfs/dbraw/zinc/08/44/92/1068084492.db2.gz OHVKLAKMQQZEPZ-GYPZGHTGSA-N 0 3 314.429 2.175 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](OCC)C(C)C ZINC001570823359 1068130779 /nfs/dbraw/zinc/13/07/79/1068130779.db2.gz WYSNLQYLQBOYMR-IAGOWNOFSA-N 0 3 308.466 2.432 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)C1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001570849280 1068138414 /nfs/dbraw/zinc/13/84/14/1068138414.db2.gz DSABJBFESJDECO-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CN(C[C@H](C)O)CC2(C)C)CCCCC1 ZINC001570909982 1068157034 /nfs/dbraw/zinc/15/70/34/1068157034.db2.gz UTGDJFDTJAWGJG-HOTGVXAUSA-N 0 3 320.477 2.168 20 30 DEEDHN C#Cc1cncc(C(=O)NCCN(C)Cc2ccccc2C)c1 ZINC001267215628 1078671379 /nfs/dbraw/zinc/67/13/79/1078671379.db2.gz NEACBDAMFDDNPO-UHFFFAOYSA-N 0 3 307.397 2.233 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C=C1CCCCC1 ZINC001571378835 1068260153 /nfs/dbraw/zinc/26/01/53/1068260153.db2.gz LRCOWBFEGTVQOI-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001511274055 1068261328 /nfs/dbraw/zinc/26/13/28/1068261328.db2.gz IRDHSIONXOPKAZ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)[C@@H](C)c2ccccc2)nc1 ZINC001267226745 1078678464 /nfs/dbraw/zinc/67/84/64/1078678464.db2.gz NRWDRXQTWJLVQV-HNNXBMFYSA-N 0 3 307.397 2.486 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](CO)NCc1ccc(C)cc1C ZINC001571442411 1068293934 /nfs/dbraw/zinc/29/39/34/1068293934.db2.gz UCVIYVNJFZMHAY-KRWDZBQOSA-N 0 3 318.461 2.472 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)CC(C2CC2)C2CC2)C1 ZINC001571492336 1068349232 /nfs/dbraw/zinc/34/92/32/1068349232.db2.gz CFZVQNUMOIAJBV-WMLDXEAASA-N 0 3 318.461 2.042 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCc2cnn(C)c2)[C@H]1C ZINC001571519698 1068382236 /nfs/dbraw/zinc/38/22/36/1068382236.db2.gz WCLPHQPREGDTIP-RDJZCZTQSA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2occc2C)[C@H]1C ZINC001571522638 1068390218 /nfs/dbraw/zinc/39/02/18/1068390218.db2.gz ICUDFWYFKUKBJY-HZPDHXFCSA-N 0 3 320.433 2.302 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC001571562430 1068421591 /nfs/dbraw/zinc/42/15/91/1068421591.db2.gz OYALJUYIVNNHKT-GDBMZVCRSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001571605070 1068435946 /nfs/dbraw/zinc/43/59/46/1068435946.db2.gz LUBHTBXYCCESBK-GFCCVEGCSA-N 0 3 314.788 2.030 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001571607691 1068436934 /nfs/dbraw/zinc/43/69/34/1068436934.db2.gz PELJWEBDTYIIJV-CQSZACIVSA-N 0 3 308.422 2.262 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H](C)c1ccccc1F ZINC001571607951 1068437835 /nfs/dbraw/zinc/43/78/35/1068437835.db2.gz VLQYGLYVKUNFHF-LSDHHAIUSA-N 0 3 322.424 2.256 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H](OCC)C(C)C)CC1 ZINC001571643521 1068455540 /nfs/dbraw/zinc/45/55/40/1068455540.db2.gz HNQLPDNFHQSMHM-NVXWUHKLSA-N 0 3 308.466 2.288 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@H]2CCN(CC#CC)C2)cc1 ZINC001267293568 1078739373 /nfs/dbraw/zinc/73/93/73/1078739373.db2.gz VJHFIELFLZBHMA-QGZVFWFLSA-N 0 3 324.424 2.164 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2cccc3ncccc23)C1 ZINC001267297116 1078742975 /nfs/dbraw/zinc/74/29/75/1078742975.db2.gz BKXDOOGNFMZETE-INIZCTEOSA-N 0 3 321.424 2.239 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCn2ccc3ccccc32)C1 ZINC001267305211 1078751438 /nfs/dbraw/zinc/75/14/38/1078751438.db2.gz ISWACGLHAWSQNJ-KRWDZBQOSA-N 0 3 323.440 2.493 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001267307860 1078753934 /nfs/dbraw/zinc/75/39/34/1078753934.db2.gz XGYBQJJENOIHOP-AWEZNQCLSA-N 0 3 302.393 2.175 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001267309739 1078754306 /nfs/dbraw/zinc/75/43/06/1078754306.db2.gz RRCSYAUOKOEGKP-OXJNMPFZSA-N 0 3 310.441 2.253 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001483666674 1078764134 /nfs/dbraw/zinc/76/41/34/1078764134.db2.gz UXWVRKKLMZHIKG-ZFWWWQNUSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001572266894 1068712029 /nfs/dbraw/zinc/71/20/29/1068712029.db2.gz IFGOGSGXHMDBEV-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C[C@H]2CCCOC2)CCC1 ZINC001483679048 1078780623 /nfs/dbraw/zinc/78/06/23/1078780623.db2.gz WPGICOVLBHCSBZ-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCN2C[C@@H]2CCCOC2)CCC1 ZINC001483679055 1078780491 /nfs/dbraw/zinc/78/04/91/1078780491.db2.gz WPGICOVLBHCSBZ-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@H](CN(C)CCF)C1)OCC ZINC001481487989 1079945497 /nfs/dbraw/zinc/94/54/97/1079945497.db2.gz 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ZINC001483841145 1079152612 /nfs/dbraw/zinc/15/26/12/1079152612.db2.gz GASRULDWOJEUAI-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481081186 1079162911 /nfs/dbraw/zinc/16/29/11/1079162911.db2.gz XMKSBIPAYMRIHL-BBRMVZONSA-N 0 3 317.458 2.248 20 30 DEEDHN Cc1ccc(F)c(CN2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)c1 ZINC001481083377 1079166162 /nfs/dbraw/zinc/16/61/62/1079166162.db2.gz KJYIGAJIGBJFQN-KGLIPLIRSA-N 0 3 303.381 2.232 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2ccc(C)nc2C)C1 ZINC001481091476 1079173358 /nfs/dbraw/zinc/17/33/58/1079173358.db2.gz QBFUCYMIPZXOOM-QGZVFWFLSA-N 0 3 313.445 2.440 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001481125261 1079222488 /nfs/dbraw/zinc/22/24/88/1079222488.db2.gz BTVNEYSBXIZFMU-DLBZAZTESA-N 0 3 302.393 2.029 20 30 DEEDHN C#CCN(C(=O)c1cscc1C)C1CCN(CCOC)CC1 ZINC001483981890 1079224889 /nfs/dbraw/zinc/22/48/89/1079224889.db2.gz AYBBGZFZFIZTIY-UHFFFAOYSA-N 0 3 320.458 2.243 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001484068533 1079289685 /nfs/dbraw/zinc/28/96/85/1079289685.db2.gz CRLCQIPQOWWXPH-APWZRJJASA-N 0 3 314.429 2.366 20 30 DEEDHN CCc1nc(C)c(CNC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001484084231 1079294259 /nfs/dbraw/zinc/29/42/59/1079294259.db2.gz WDBJQICGUCTZPO-SJKOYZFVSA-N 0 3 318.421 2.033 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001646898126 1074679843 /nfs/dbraw/zinc/67/98/43/1074679843.db2.gz KBUNQMLLDDYSLZ-XHDPSFHLSA-N 0 3 313.405 2.308 20 30 DEEDHN CCO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001646917020 1074693372 /nfs/dbraw/zinc/69/33/72/1074693372.db2.gz AIGJFWLWISFVRW-IXPVHAAZSA-N 0 3 324.327 2.368 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)CC[C@@H]2CCCO2)CC1 ZINC001647051177 1074773044 /nfs/dbraw/zinc/77/30/44/1074773044.db2.gz JZEDEHUZSQIREO-KRWDZBQOSA-N 0 3 324.465 2.071 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CCc2ccccn2)C1 ZINC001484165584 1079340129 /nfs/dbraw/zinc/34/01/29/1079340129.db2.gz 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C=CCN1CCC(N(C)C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001566615330 1075297548 /nfs/dbraw/zinc/29/75/48/1075297548.db2.gz LEMMIEQUSVUIBA-GOSISDBHSA-N 0 3 315.461 2.398 20 30 DEEDHN CCCCCCCN1CCC[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001566619587 1075298190 /nfs/dbraw/zinc/29/81/90/1075298190.db2.gz OOYBSZOPQURJKZ-HNNXBMFYSA-N 0 3 321.469 2.288 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC001566635140 1075302220 /nfs/dbraw/zinc/30/22/20/1075302220.db2.gz VRVBULXQMBEBGF-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccccc2OC)C1 ZINC001566680075 1075315964 /nfs/dbraw/zinc/31/59/64/1075315964.db2.gz RPARPELDVCSZBA-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001566679601 1075316427 /nfs/dbraw/zinc/31/64/27/1075316427.db2.gz ZHBCLICEKFIFHN-NVXWUHKLSA-N 0 3 302.418 2.183 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC001566692642 1075319268 /nfs/dbraw/zinc/31/92/68/1075319268.db2.gz JMJZFEJWLBSVGN-IAGOWNOFSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)n1C ZINC001566754373 1075336118 /nfs/dbraw/zinc/33/61/18/1075336118.db2.gz GUWFRSQJUNFDKO-BMFZPTHFSA-N 0 3 316.449 2.372 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1)C1CC=CC1 ZINC001566834603 1075356688 /nfs/dbraw/zinc/35/66/88/1075356688.db2.gz MPMBJRPJYVYQSE-HDICACEKSA-N 0 3 312.388 2.380 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C)CCOCC2)C1 ZINC001566964561 1075402096 /nfs/dbraw/zinc/40/20/96/1075402096.db2.gz ABQKOHIBUFFMSK-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCCC(=O)NC1CCC(NCc2ccn(C)n2)CC1 ZINC001566987894 1075408823 /nfs/dbraw/zinc/40/88/23/1075408823.db2.gz QAJYJLJPBJYNQV-UHFFFAOYSA-N 0 3 304.438 2.293 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC001567016468 1075416727 /nfs/dbraw/zinc/41/67/27/1075416727.db2.gz ZGPQKIXCRDPJOQ-KGLIPLIRSA-N 0 3 306.381 2.021 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1ccc(OC)nc1 ZINC001567042709 1075421527 /nfs/dbraw/zinc/42/15/27/1075421527.db2.gz XZTJFOOILAMVRS-CYBMUJFWSA-N 0 3 305.422 2.287 20 30 DEEDHN C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1nnc2ccccc2c1[O-] ZINC001567232213 1075469454 /nfs/dbraw/zinc/46/94/54/1075469454.db2.gz UKWPHDIZWLCABJ-LBPRGKRZSA-N 0 3 314.389 2.010 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001481235496 1079444934 /nfs/dbraw/zinc/44/49/34/1079444934.db2.gz RKZVMTJGSTYSJH-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)CC1(C)CCCCC1 ZINC001481254077 1079480030 /nfs/dbraw/zinc/48/00/30/1079480030.db2.gz BBGDGKSQLBIOJV-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCOc2ccc(OC)cc2)C1 ZINC001267777135 1079487561 /nfs/dbraw/zinc/48/75/61/1079487561.db2.gz JOHRWFIEDNEQBV-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCCn2cccn2)C1 ZINC001267788826 1079496634 /nfs/dbraw/zinc/49/66/34/1079496634.db2.gz BYJAWTCDPXWKGZ-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001582475535 1076154682 /nfs/dbraw/zinc/15/46/82/1076154682.db2.gz ZXIQVEGVAYGWJB-PBHICJAKSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](NC(=O)C(C)(C)N(C)CC)CC1 ZINC001582718405 1076180086 /nfs/dbraw/zinc/18/00/86/1076180086.db2.gz NRRVTXVRJNLQSE-SHTZXODSSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579004 1076455206 /nfs/dbraw/zinc/45/52/06/1076455206.db2.gz IQGSKXRDUWAKRK-IUODEOHRSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579004 1076455210 /nfs/dbraw/zinc/45/52/10/1076455210.db2.gz IQGSKXRDUWAKRK-IUODEOHRSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579004 1076455212 /nfs/dbraw/zinc/45/52/12/1076455212.db2.gz IQGSKXRDUWAKRK-IUODEOHRSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579004 1076455215 /nfs/dbraw/zinc/45/52/15/1076455215.db2.gz IQGSKXRDUWAKRK-IUODEOHRSA-N 0 3 301.394 2.187 20 30 DEEDHN N#Cc1cccc(-c2nnn[n-]2)c1NCC1CC[NH+](C2CC2)CC1 ZINC001609499657 1077871212 /nfs/dbraw/zinc/87/12/12/1077871212.db2.gz CPZRJICTDQOTDX-UHFFFAOYSA-N 0 3 323.404 2.025 20 30 DEEDHN N#Cc1cccc(-c2nn[n-]n2)c1NCC1CC[NH+](C2CC2)CC1 ZINC001609499657 1077871214 /nfs/dbraw/zinc/87/12/14/1077871214.db2.gz CPZRJICTDQOTDX-UHFFFAOYSA-N 0 3 323.404 2.025 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H]1CCCCO1)NCC#Cc1ccccc1 ZINC001267802284 1079504414 /nfs/dbraw/zinc/50/44/14/1079504414.db2.gz UZOPYNVIJUIGCW-ZWKOTPCHSA-N 0 3 314.429 2.092 20 30 DEEDHN CC[C@H](CNC(=O)C#CC(C)(C)C)NCc1ncccc1C ZINC001267803839 1079506311 /nfs/dbraw/zinc/50/63/11/1079506311.db2.gz WNCDQCKVRVCZES-OAHLLOKOSA-N 0 3 301.434 2.424 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001481270513 1079508977 /nfs/dbraw/zinc/50/89/77/1079508977.db2.gz XAKYOHJWOJWMJE-ITGUQSILSA-N 0 3 303.431 2.214 20 30 DEEDHN C[C@H](CC#N)C(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001650409901 1079597331 /nfs/dbraw/zinc/59/73/31/1079597331.db2.gz BRJHVDMSSZQGDU-RBSFLKMASA-N 0 3 313.401 2.045 20 30 DEEDHN C=C[C@H](C(=O)N[C@]1(CO)CCCN(C(C)C)C1)c1ccccc1 ZINC001484449433 1079613078 /nfs/dbraw/zinc/61/30/78/1079613078.db2.gz FAHUUQFBPMQGJW-PKOBYXMFSA-N 0 3 316.445 2.308 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001484448971 1079619301 /nfs/dbraw/zinc/61/93/01/1079619301.db2.gz BJNOWZCNGMXFSG-LPHOPBHVSA-N 0 3 320.477 2.169 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC001267939681 1079620067 /nfs/dbraw/zinc/62/00/67/1079620067.db2.gz RTYQZGGNKJSCTQ-UHFFFAOYSA-N 0 3 320.396 2.007 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)COCCC)cc1 ZINC001272683517 1079625926 /nfs/dbraw/zinc/62/59/26/1079625926.db2.gz PWRSKDHHBHLHLX-OAHLLOKOSA-N 0 3 302.418 2.403 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)C[C@H]1CCCCC1(C)C ZINC001484502968 1079632088 /nfs/dbraw/zinc/63/20/88/1079632088.db2.gz LNOUSZPQOKNNTJ-MRXNPFEDSA-N 0 3 308.466 2.027 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](CCNCc2cc(F)ccc2F)C1 ZINC001484514331 1079637523 /nfs/dbraw/zinc/63/75/23/1079637523.db2.gz YWHHILGKIOZZJR-QWHCGFSZSA-N 0 3 321.371 2.453 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccnc(C)n1 ZINC001272684417 1079653798 /nfs/dbraw/zinc/65/37/98/1079653798.db2.gz VNVRYIHMTDFKJQ-UHFFFAOYSA-N 0 3 322.412 2.170 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3sccc3Cl)C2)C1=O ZINC001272686466 1079692305 /nfs/dbraw/zinc/69/23/05/1079692305.db2.gz FFZKYFKXOYSHLD-HNNXBMFYSA-N 0 3 308.834 2.459 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(C)c3ccccc3n2)CCC1 ZINC001484639989 1079706214 /nfs/dbraw/zinc/70/62/14/1079706214.db2.gz CVVPIQDXWIXVKI-UHFFFAOYSA-N 0 3 307.397 2.419 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CCCC[C@H](C)CC)CCO1 ZINC001484678827 1079724208 /nfs/dbraw/zinc/72/42/08/1079724208.db2.gz QXIBKLQQEITSSU-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](NC(=O)CC)CC1 ZINC001484703913 1079729841 /nfs/dbraw/zinc/72/98/41/1079729841.db2.gz LBBKVSNDSZBYJO-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](N2CCN(CCC)CC2)C1 ZINC001484703986 1079730328 /nfs/dbraw/zinc/73/03/28/1079730328.db2.gz MFWNTJXZMBUWRH-SFHVURJKSA-N 0 3 319.493 2.199 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CCOc2ccccc2C)CC1 ZINC001484728843 1079751561 /nfs/dbraw/zinc/75/15/61/1079751561.db2.gz XAKJTDFIUPVJHR-KRWDZBQOSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1ncccc1OC)c1ccccc1 ZINC001481372076 1079763567 /nfs/dbraw/zinc/76/35/67/1079763567.db2.gz JUSXTLBBJBZWNV-OAHLLOKOSA-N 0 3 311.385 2.337 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@H](C)O ZINC001481382441 1079770127 /nfs/dbraw/zinc/77/01/27/1079770127.db2.gz OENWKNAOFMZWBD-OKZBNKHCSA-N 0 3 320.477 2.406 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCCO2)C1 ZINC001481392532 1079776513 /nfs/dbraw/zinc/77/65/13/1079776513.db2.gz JURVYYHVKCTGAT-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCOc1ccc(F)cc1 ZINC001484756122 1079782014 /nfs/dbraw/zinc/78/20/14/1079782014.db2.gz QMVJGTLYLFOYSP-UHFFFAOYSA-N 0 3 306.381 2.008 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CCNC(=O)CC)C1 ZINC001481415552 1079811185 /nfs/dbraw/zinc/81/11/85/1079811185.db2.gz ZHPXLNCEXFCZSE-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN CC[C@@H]1CC[C@@H](C(=O)N(C)CCNCc2ccc(C#N)cc2)O1 ZINC001493567864 1079867804 /nfs/dbraw/zinc/86/78/04/1079867804.db2.gz OFHNDUNWGWMOEZ-SJORKVTESA-N 0 3 315.417 2.064 20 30 DEEDHN COCC#CCN1CC[C@@H](CCNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001481456493 1079886976 /nfs/dbraw/zinc/88/69/76/1079886976.db2.gz OXETZDIFSYBITE-SJORKVTESA-N 0 3 318.461 2.045 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001485039427 1079933675 /nfs/dbraw/zinc/93/36/75/1079933675.db2.gz ZYGOZHLUXWQGDD-CVEARBPZSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)CCc1ccnn1C ZINC001485057163 1079947208 /nfs/dbraw/zinc/94/72/08/1079947208.db2.gz CUFDWYVUCFGDDU-KRWDZBQOSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnn(C2CCC2)c1 ZINC001485057208 1079948224 /nfs/dbraw/zinc/94/82/24/1079948224.db2.gz WCRRDCVIBIRGEN-MRXNPFEDSA-N 0 3 302.422 2.331 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(CCC)c2)C1 ZINC001485106246 1079984834 /nfs/dbraw/zinc/98/48/34/1079984834.db2.gz XQNBTNSDXCYKDQ-UHFFFAOYSA-N 0 3 310.829 2.144 20 30 DEEDHN Cc1cc(CN[C@@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)sn1 ZINC001485145412 1080011583 /nfs/dbraw/zinc/01/15/83/1080011583.db2.gz ULZVJEHAJYRKHX-STQMWFEESA-N 0 3 307.463 2.484 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccn(C)c1 ZINC001485137270 1080022104 /nfs/dbraw/zinc/02/21/04/1080022104.db2.gz PJTAIUVUGOCESN-HOTGVXAUSA-N 0 3 309.413 2.173 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)Cc1ccoc1 ZINC001485137783 1080023445 /nfs/dbraw/zinc/02/34/45/1080023445.db2.gz MXOQJSVGSKBWAQ-HOTGVXAUSA-N 0 3 310.397 2.357 20 30 DEEDHN Cc1noc(C)c1CN[C@H]1C[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001656132690 1080052310 /nfs/dbraw/zinc/05/23/10/1080052310.db2.gz XKGYNPPPCCRYMC-GASCZTMLSA-N 0 3 317.433 2.325 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)NCc2ncccc2C)c1 ZINC001485191688 1080057756 /nfs/dbraw/zinc/05/77/56/1080057756.db2.gz RLCSXQZHSJOFTE-CABCVRRESA-N 0 3 322.412 2.063 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001268099483 1080071985 /nfs/dbraw/zinc/07/19/85/1080071985.db2.gz MXFGSEHQPWZJMS-FUHWJXTLSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)COC3CCCC3)C(C)(C)[C@H]21 ZINC001656650599 1080109559 /nfs/dbraw/zinc/10/95/59/1080109559.db2.gz HZTOPDBWWLJTNR-NXHRZFHOSA-N 0 3 318.461 2.184 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2c(C)noc2C)[C@H]1CC ZINC001656759369 1080122064 /nfs/dbraw/zinc/12/20/64/1080122064.db2.gz AIEBDTBPFDJKHW-DLBZAZTESA-N 0 3 317.433 2.216 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485293854 1080123919 /nfs/dbraw/zinc/12/39/19/1080123919.db2.gz RYKMEBAOZQJIIS-GJZGRUSLSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001656990987 1080145058 /nfs/dbraw/zinc/14/50/58/1080145058.db2.gz CMLFATJEYWEPPF-OAGGEKHMSA-N 0 3 304.438 2.064 20 30 DEEDHN Cc1cc(C(=O)NCC2CC(NCC#Cc3ccccc3)C2)no1 ZINC001657169927 1080162048 /nfs/dbraw/zinc/16/20/48/1080162048.db2.gz AUYXSHNLNGPXJB-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN COCc1cccc(CN(C)CCN(C)C(=O)C#CC2CC2)c1 ZINC001268238167 1080220275 /nfs/dbraw/zinc/22/02/75/1080220275.db2.gz YYUOZVAPUJPQIS-UHFFFAOYSA-N 0 3 314.429 2.137 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCOc1ccc(C)c(C)c1 ZINC001268240478 1080222417 /nfs/dbraw/zinc/22/24/17/1080222417.db2.gz YDMXXMCDUDZIGW-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(N2CC=CC2)c1 ZINC001268250545 1080231441 /nfs/dbraw/zinc/23/14/41/1080231441.db2.gz NBVZVTDMMFIVEC-UHFFFAOYSA-N 0 3 311.429 2.090 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccn(C(C)(C)C)c1=O ZINC001268253217 1080232144 /nfs/dbraw/zinc/23/21/44/1080232144.db2.gz KXAFKKCZEBHFHS-UHFFFAOYSA-N 0 3 319.449 2.183 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCc1ccncc1 ZINC001485479694 1080243026 /nfs/dbraw/zinc/24/30/26/1080243026.db2.gz MTSKKIKPDKSDNA-SFHVURJKSA-N 0 3 313.445 2.398 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CN(CCc2ccnn2C)C1 ZINC001485521310 1080278906 /nfs/dbraw/zinc/27/89/06/1080278906.db2.gz BOUNSZJMDKHXDC-KSSFIOAISA-N 0 3 318.465 2.001 20 30 DEEDHN C#CCC1(C(=O)N[C@@H](C)C2CN(CCOC)C2)CCCCC1 ZINC001485537908 1080285235 /nfs/dbraw/zinc/28/52/35/1080285235.db2.gz BHAWMDPCLFSUER-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@H](C)C1CN(CCOC)C1)c1ccccc1 ZINC001485539301 1080286373 /nfs/dbraw/zinc/28/63/73/1080286373.db2.gz JIYNKXCBDTWVFF-HOTGVXAUSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC)CCOCC1 ZINC001481680747 1080290574 /nfs/dbraw/zinc/29/05/74/1080290574.db2.gz MIESRKICNRTKLZ-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)N(C)CC ZINC001660442108 1080333041 /nfs/dbraw/zinc/33/30/41/1080333041.db2.gz XWIKZGOMRPUPLC-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001481709501 1080339012 /nfs/dbraw/zinc/33/90/12/1080339012.db2.gz LUNAXYRFMDOTME-FUHWJXTLSA-N 0 3 316.445 2.258 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1ccccn1 ZINC001268340469 1080343858 /nfs/dbraw/zinc/34/38/58/1080343858.db2.gz SPKSNLOUJMAQLU-NSHDSACASA-N 0 3 312.211 2.088 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001485696729 1080381033 /nfs/dbraw/zinc/38/10/33/1080381033.db2.gz PBFLWMBYMYLOIN-MGPQQGTHSA-N 0 3 323.824 2.086 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(C)n([C@H](C)CC)n1)C1CC1 ZINC001660699408 1080381677 /nfs/dbraw/zinc/38/16/77/1080381677.db2.gz CJQQHGGOUSZANA-CQSZACIVSA-N 0 3 316.449 2.380 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@]1(C)CCC[C@H]1C)C1CC1 ZINC001660719621 1080385538 /nfs/dbraw/zinc/38/55/38/1080385538.db2.gz SHCXWVPHJCYQOV-APWZRJJASA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@H](C)c1c(C)n[nH]c1C)C1CC1 ZINC001660731518 1080387189 /nfs/dbraw/zinc/38/71/89/1080387189.db2.gz GLEOGCVOSUQHND-CYBMUJFWSA-N 0 3 316.449 2.124 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC001481732613 1080401628 /nfs/dbraw/zinc/40/16/28/1080401628.db2.gz RVGCHXIKUJZDAK-SFHVURJKSA-N 0 3 315.461 2.404 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C[C@@H](O)CCc2ccccc2)C1 ZINC001660965869 1080419999 /nfs/dbraw/zinc/41/99/99/1080419999.db2.gz JBRXBTIPIIBDDL-ROUUACIJSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CCNCc2nccn2C)CCC1 ZINC001268396277 1080420423 /nfs/dbraw/zinc/42/04/23/1080420423.db2.gz HWXVTWVJIKXGIU-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001481747089 1080430017 /nfs/dbraw/zinc/43/00/17/1080430017.db2.gz LSKWWSVPAPAXON-ZWKOTPCHSA-N 0 3 315.461 2.398 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1c(C)ccn1C ZINC001268446908 1080472732 /nfs/dbraw/zinc/47/27/32/1080472732.db2.gz UHBHNOYNQUPGSE-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cnn(CCCC)c2CC)C1 ZINC001661362916 1080473623 /nfs/dbraw/zinc/47/36/23/1080473623.db2.gz SPZAKIOZUGGFJN-HNNXBMFYSA-N 0 3 316.449 2.073 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001661418134 1080480171 /nfs/dbraw/zinc/48/01/71/1080480171.db2.gz ZSMQPNCNRPKWBF-MMQJMDILSA-N 0 3 320.408 2.451 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001661572464 1080495189 /nfs/dbraw/zinc/49/51/89/1080495189.db2.gz AEGISHPZKJULHI-MGVLZZHDSA-N 0 3 301.228 2.488 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001661577991 1080496331 /nfs/dbraw/zinc/49/63/31/1080496331.db2.gz VTSIYRFHNSEURL-GASCZTMLSA-N 0 3 306.381 2.074 20 30 DEEDHN CC[C@H](CNC(=O)C(C)(F)F)NCC#Cc1ccc(F)cc1 ZINC001481784182 1080497012 /nfs/dbraw/zinc/49/70/12/1080497012.db2.gz WWULXMRTKNKANJ-CQSZACIVSA-N 0 3 312.335 2.317 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCC(=O)N1CCCCC1 ZINC001481815765 1080521805 /nfs/dbraw/zinc/52/18/05/1080521805.db2.gz VNSABIYUQFEACM-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)CN(C)c1ccccc1 ZINC001661895219 1080541715 /nfs/dbraw/zinc/54/17/15/1080541715.db2.gz BBIOKFHWXQNRPM-KRWDZBQOSA-N 0 3 301.434 2.280 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001661989415 1080557729 /nfs/dbraw/zinc/55/77/29/1080557729.db2.gz NFNRHIAAUPCBMR-DOTOQJQBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001661989418 1080557897 /nfs/dbraw/zinc/55/78/97/1080557897.db2.gz NFNRHIAAUPCBMR-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)NCc1cccc(NC(C)=O)c1 ZINC001662207388 1080582477 /nfs/dbraw/zinc/58/24/77/1080582477.db2.gz IBKVUCIZRKGDKC-CQSZACIVSA-N 0 3 315.417 2.043 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cc(Cl)c(Cl)n1C ZINC001662234091 1080585978 /nfs/dbraw/zinc/58/59/78/1080585978.db2.gz HTLZJIPGBDBUSC-SECBINFHSA-N 0 3 302.205 2.063 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)NCc1cccc(F)c1 ZINC001662362205 1080601043 /nfs/dbraw/zinc/60/10/43/1080601043.db2.gz RTSFLZFBWGDTSK-JQFCIGGWSA-N 0 3 320.408 2.401 20 30 DEEDHN C=C(C)CCC(=O)N[C@@](C)(CNCc1ccnn1C)C1CC1 ZINC001481930834 1080619762 /nfs/dbraw/zinc/61/97/62/1080619762.db2.gz PJXFNNQYFWJHEA-KRWDZBQOSA-N 0 3 304.438 2.151 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCCc2csc(C)n2)C1 ZINC001662838399 1080664414 /nfs/dbraw/zinc/66/44/14/1080664414.db2.gz AZDHZIIKBQKRJJ-MRXNPFEDSA-N 0 3 319.474 2.330 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001662845553 1080666120 /nfs/dbraw/zinc/66/61/20/1080666120.db2.gz PKWDKNYFLDPBKZ-OAHLLOKOSA-N 0 3 324.428 2.431 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001662845414 1080666504 /nfs/dbraw/zinc/66/65/04/1080666504.db2.gz ORIPEDJUBQRVTE-GFCCVEGCSA-N 0 3 322.840 2.185 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)CC2CC2)cc1F ZINC001268507234 1080673415 /nfs/dbraw/zinc/67/34/15/1080673415.db2.gz XPSGAFLYPLHKJD-OWOJBTEDSA-N 0 3 301.365 2.259 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cccc3c[nH]nc32)cc1 ZINC001482032876 1080714053 /nfs/dbraw/zinc/71/40/53/1080714053.db2.gz OCKXNUWVNZSPGM-UHFFFAOYSA-N 0 3 318.380 2.216 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cccc(F)c1Cl ZINC001663283989 1080728238 /nfs/dbraw/zinc/72/82/38/1080728238.db2.gz IAPHKUMZYZKYML-UHFFFAOYSA-N 0 3 314.788 2.343 20 30 DEEDHN C=CCCC(=O)NC[C@]12CCC[C@H]1N(Cc1cnn(C)c1)CC2 ZINC001107327327 1080730277 /nfs/dbraw/zinc/73/02/77/1080730277.db2.gz YNHZJXOKLUYUDJ-SJLPKXTDSA-N 0 3 316.449 2.247 20 30 DEEDHN Cc1nc(C)c(CN2CCC(CCNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001482040302 1080735547 /nfs/dbraw/zinc/73/55/47/1080735547.db2.gz LSVLTKGBAVOCJQ-LBPRGKRZSA-N 0 3 318.421 2.169 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001482057483 1080759512 /nfs/dbraw/zinc/75/95/12/1080759512.db2.gz IDJMEHCBIPBDAL-UONOGXRCSA-N 0 3 319.453 2.365 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1cccc2ncccc12 ZINC001268564170 1080762381 /nfs/dbraw/zinc/76/23/81/1080762381.db2.gz AHGFQSHIWIBEAL-SNAWJCMRSA-N 0 3 307.397 2.063 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnn(C2CCC2)c1 ZINC001663661415 1080800578 /nfs/dbraw/zinc/80/05/78/1080800578.db2.gz QBEWFELNNZQWAQ-UHFFFAOYSA-N 0 3 302.422 2.073 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1COc2ccccc2C1)C1CC1 ZINC001663734674 1080809362 /nfs/dbraw/zinc/80/93/62/1080809362.db2.gz CSOJVQLYESXASU-OAHLLOKOSA-N 0 3 300.402 2.004 20 30 DEEDHN C#CCOCCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001663927705 1080838064 /nfs/dbraw/zinc/83/80/64/1080838064.db2.gz IQXLQGBJPXVSLY-CYBMUJFWSA-N 0 3 324.371 2.114 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001268639078 1080909241 /nfs/dbraw/zinc/90/92/41/1080909241.db2.gz FBISBJJBOATSOE-LLVKDONJSA-N 0 3 314.788 2.276 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(Cl)s1 ZINC001268646266 1080914692 /nfs/dbraw/zinc/91/46/92/1080914692.db2.gz RXUPQGVHKQYADC-MNOVXSKESA-N 0 3 314.838 2.034 20 30 DEEDHN CCCn1nccc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268646746 1080915668 /nfs/dbraw/zinc/91/56/68/1080915668.db2.gz LGVNEASVGBARGL-MRXNPFEDSA-N 0 3 324.428 2.053 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C(F)F)ncn1 ZINC001268799746 1080996737 /nfs/dbraw/zinc/99/67/37/1080996737.db2.gz GINMYUIQGDQRJB-UHFFFAOYSA-N 0 3 318.755 2.218 20 30 DEEDHN C#CCCN1CC(CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001268842807 1081016312 /nfs/dbraw/zinc/01/63/12/1081016312.db2.gz AJMOWBJYWRJENP-SNAWJCMRSA-N 0 3 300.377 2.300 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001268867529 1081026473 /nfs/dbraw/zinc/02/64/73/1081026473.db2.gz PNCPTLDSFFICFS-ZBFHGGJFSA-N 0 3 308.466 2.452 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665630850 1081051722 /nfs/dbraw/zinc/05/17/22/1081051722.db2.gz FLQPOSJEGMXWHP-SJLPKXTDSA-N 0 3 314.429 2.066 20 30 DEEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001665714892 1081069276 /nfs/dbraw/zinc/06/92/76/1081069276.db2.gz JTWTVAMLFLSCAH-IAGOWNOFSA-N 0 3 306.450 2.282 20 30 DEEDHN CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NCC#Cc1ccccc1 ZINC001665775820 1081080533 /nfs/dbraw/zinc/08/05/33/1081080533.db2.gz FUBFFLVSTLJALV-KRWDZBQOSA-N 0 3 320.396 2.036 20 30 DEEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)c1ccon1)C1CC1 ZINC001665979596 1081105455 /nfs/dbraw/zinc/10/54/55/1081105455.db2.gz HDNZZRIDYPVFKK-IBGZPJMESA-N 0 3 323.396 2.214 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CCNCc2nccn2C)C1 ZINC001666134636 1081127494 /nfs/dbraw/zinc/12/74/94/1081127494.db2.gz DFHDKJGAEQOTGF-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2occ3c2CCOC3)C1 ZINC001269150840 1081141337 /nfs/dbraw/zinc/14/13/37/1081141337.db2.gz BODXEQCDPXQAOE-CQSZACIVSA-N 0 3 304.390 2.123 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H](OC)[C@H](C)CC)cc1 ZINC001666337471 1081145306 /nfs/dbraw/zinc/14/53/06/1081145306.db2.gz GOYZQAAKIHVLJC-RHSMWYFYSA-N 0 3 302.418 2.087 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001666497473 1081155839 /nfs/dbraw/zinc/15/58/39/1081155839.db2.gz LAECRGSAERKSSS-LWUPOJRFSA-N 0 3 324.852 2.092 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001269239442 1081179093 /nfs/dbraw/zinc/17/90/93/1081179093.db2.gz BGPDBGYHPBYCKW-RYUDHWBXSA-N 0 3 312.364 2.437 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cnn(C)c2)CCCC1 ZINC001667064504 1081207822 /nfs/dbraw/zinc/20/78/22/1081207822.db2.gz YEMHVXIJLAMDAF-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001269326401 1081213755 /nfs/dbraw/zinc/21/37/55/1081213755.db2.gz IZAHQHBIXMEBIT-RHSMWYFYSA-N 0 3 316.449 2.452 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1nn(C)cc1C ZINC001667258013 1081230759 /nfs/dbraw/zinc/23/07/59/1081230759.db2.gz SXPLZSZWTNRCFY-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=CCCC(=O)NC[C@@H](CC)N[C@H](C)C(=O)N1CCC(C)CC1 ZINC001269377363 1081232421 /nfs/dbraw/zinc/23/24/21/1081232421.db2.gz DUQJWMOHTUXTHD-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(C#CC1CC1)NCC1(NCc2ccc3ncccc3c2)CC1 ZINC001269411829 1081242415 /nfs/dbraw/zinc/24/24/15/1081242415.db2.gz UXDJBABBHSYGBV-UHFFFAOYSA-N 0 3 319.408 2.387 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1c(C)nnn1CC)C(C)C ZINC001667484202 1081256750 /nfs/dbraw/zinc/25/67/50/1081256750.db2.gz VFFOBSZGUKRVER-AWEZNQCLSA-N 0 3 321.469 2.049 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CO[C@@H](C)C2)CCCC1 ZINC001482222521 1081260029 /nfs/dbraw/zinc/26/00/29/1081260029.db2.gz HWSAHYCEWLCOIT-STQMWFEESA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2c[nH]nc2CC)CCCC1 ZINC001482223883 1081264552 /nfs/dbraw/zinc/26/45/52/1081264552.db2.gz NROXPOKRQVJNRA-UHFFFAOYSA-N 0 3 310.829 2.357 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(OC)c(OC)c1C ZINC001667585077 1081266037 /nfs/dbraw/zinc/26/60/37/1081266037.db2.gz MXDGGDDNXOWAGI-UHFFFAOYSA-N 0 3 318.417 2.039 20 30 DEEDHN CCc1nc[nH]c1C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001269502761 1081267892 /nfs/dbraw/zinc/26/78/92/1081267892.db2.gz HGAHHOQEGVWZIO-INIZCTEOSA-N 0 3 324.428 2.122 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc(C)ccc1F ZINC001667631606 1081269245 /nfs/dbraw/zinc/26/92/45/1081269245.db2.gz OAEJDCKZONHAGA-UHFFFAOYSA-N 0 3 308.397 2.341 20 30 DEEDHN Cc1ncoc1CN1CC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@@H]21 ZINC001667686529 1081274310 /nfs/dbraw/zinc/27/43/10/1081274310.db2.gz GHLKYTBASJTRDL-CVEARBPZSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001668060317 1081311745 /nfs/dbraw/zinc/31/17/45/1081311745.db2.gz PVGWSPZTAWMAIC-CYBMUJFWSA-N 0 3 307.825 2.350 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCOC1 ZINC001269664085 1081326584 /nfs/dbraw/zinc/32/65/84/1081326584.db2.gz NPVBEBFUXXDBHU-YESZJQIVSA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)COCCCC)C2)CC1 ZINC001269704709 1081339987 /nfs/dbraw/zinc/33/99/87/1081339987.db2.gz VSOGTVPBDCHGIV-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1c(F)ccc(F)c1Cl ZINC001668562172 1081368788 /nfs/dbraw/zinc/36/87/88/1081368788.db2.gz BEPYXWJUIUKMTL-UHFFFAOYSA-N 0 3 300.736 2.303 20 30 DEEDHN Cc1nc(C)c(C(=O)NC/C=C\CNCc2cccc(C#N)c2)o1 ZINC001668762980 1081392543 /nfs/dbraw/zinc/39/25/43/1081392543.db2.gz TVBSDOVUCDTPHP-ARJAWSKDSA-N 0 3 324.384 2.239 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC001006461681 1081405509 /nfs/dbraw/zinc/40/55/09/1081405509.db2.gz GWCIAPNFGZWFOX-OAHLLOKOSA-N 0 3 304.438 2.170 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)Cc1ccccc1F ZINC001669039101 1081421494 /nfs/dbraw/zinc/42/14/94/1081421494.db2.gz JQQNZHMKXWSDAD-ZPIQOJFGSA-N 0 3 302.393 2.290 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C[C@H]1CCc2ccccc2C1 ZINC001669157128 1081433758 /nfs/dbraw/zinc/43/37/58/1081433758.db2.gz OBXRXVBNRJRJGZ-LXXRFIIISA-N 0 3 310.441 2.467 20 30 DEEDHN CCc1ccc([C@H](C)C(=O)N[C@@H](C)CNCC#CCOC)cc1 ZINC001669690771 1081463337 /nfs/dbraw/zinc/46/33/37/1081463337.db2.gz VRADCXRMFYOLJJ-HOTGVXAUSA-N 0 3 316.445 2.097 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(Br)o1 ZINC001669915104 1081478896 /nfs/dbraw/zinc/47/88/96/1081478896.db2.gz MAJZQNRFBCWUMJ-SECBINFHSA-N 0 3 301.184 2.278 20 30 DEEDHN Cc1ccn(C)c1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001482276440 1081491475 /nfs/dbraw/zinc/49/14/75/1081491475.db2.gz UMIPCXCNDKZIFB-QGZVFWFLSA-N 0 3 323.440 2.435 20 30 DEEDHN Cc1ccn(C)c1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482276439 1081491843 /nfs/dbraw/zinc/49/18/43/1081491843.db2.gz UMIPCXCNDKZIFB-KRWDZBQOSA-N 0 3 323.440 2.435 20 30 DEEDHN C#CCN(C(=O)COCC=C)C1CCN(CC=C(C)C)CC1 ZINC001270295931 1081496117 /nfs/dbraw/zinc/49/61/17/1081496117.db2.gz HULXESRDFIFMGN-UHFFFAOYSA-N 0 3 304.434 2.081 20 30 DEEDHN C#CCN(C(=O)C1CC2(CCC2)C1)C1CCN(CCOC)CC1 ZINC001270331729 1081503550 /nfs/dbraw/zinc/50/35/50/1081503550.db2.gz MZTPFXZGBFBANG-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN CCCCOCCN1CCC(C)(NC(=O)C#CC2CC2)CC1 ZINC001671411380 1081515911 /nfs/dbraw/zinc/51/59/11/1081515911.db2.gz CDDFTSYPCUMSNQ-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C[C@H](C)CC)C2)CC1 ZINC001671442118 1081517617 /nfs/dbraw/zinc/51/76/17/1081517617.db2.gz 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/nfs/dbraw/zinc/57/35/66/1081573566.db2.gz IWIXKWXXRTXBKJ-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC001006481600 1081587968 /nfs/dbraw/zinc/58/79/68/1081587968.db2.gz UACWUPRUPSIFSJ-CYBMUJFWSA-N 0 3 318.465 2.249 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)COc2c(C)cccc2C)C1 ZINC001270660279 1081588588 /nfs/dbraw/zinc/58/85/88/1081588588.db2.gz ZOCHPDROSOWAQJ-GOSISDBHSA-N 0 3 302.418 2.449 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2cnc(C)nc2)C1 ZINC001482328710 1081723177 /nfs/dbraw/zinc/72/31/77/1081723177.db2.gz DVLCKEQVPBLAHH-CYBMUJFWSA-N 0 3 302.422 2.078 20 30 DEEDHN COc1ccc(CCN(C)CCN(C)C(=O)C#CC(C)C)cc1 ZINC001496698765 1081723718 /nfs/dbraw/zinc/72/37/18/1081723718.db2.gz DLEJYEKTROLWKQ-UHFFFAOYSA-N 0 3 316.445 2.287 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(C)nn2)cc1 ZINC001672936719 1081724897 /nfs/dbraw/zinc/72/48/97/1081724897.db2.gz DCEVMWOVFGHKDB-OAHLLOKOSA-N 0 3 322.412 2.389 20 30 DEEDHN CCCCC1(C(=O)NCC2(NCC#CCOC)CCC2)CC1 ZINC001673205848 1081745644 /nfs/dbraw/zinc/74/56/44/1081745644.db2.gz IDWMPDISANVMEO-UHFFFAOYSA-N 0 3 306.450 2.235 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)/C=C(/C)CC)C2)CC1 ZINC001673346561 1081756853 /nfs/dbraw/zinc/75/68/53/1081756853.db2.gz BSCIUYRPXVDPAO-WAIALKQBSA-N 0 3 305.466 2.137 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001673381303 1081762759 /nfs/dbraw/zinc/76/27/59/1081762759.db2.gz RMJSROWCEQVLAW-MRXNPFEDSA-N 0 3 304.438 2.247 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C(F)=C1CCCC1 ZINC001673429661 1081770681 /nfs/dbraw/zinc/77/06/81/1081770681.db2.gz NBBWUTIIXQJFQJ-UHFFFAOYSA-N 0 3 310.413 2.214 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC001674044180 1081831346 /nfs/dbraw/zinc/83/13/46/1081831346.db2.gz TZDMPEFOYXSRPQ-UHFFFAOYSA-N 0 3 319.493 2.239 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001674044629 1081831948 /nfs/dbraw/zinc/83/19/48/1081831948.db2.gz ZMXKXINJARSEAV-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CC1(F)F ZINC001270955891 1081856080 /nfs/dbraw/zinc/85/60/80/1081856080.db2.gz CFZOCFVOEBRSFS-SWLSCSKDSA-N 0 3 324.346 2.269 20 30 DEEDHN COCC#CCN1CCC2(CC1)CCN(C(=O)C1CCC1)CC2 ZINC001674290830 1081857956 /nfs/dbraw/zinc/85/79/56/1081857956.db2.gz WULYPUIKLKXBIL-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001270975521 1081861980 /nfs/dbraw/zinc/86/19/80/1081861980.db2.gz ZGMVZXXBQBOZCC-ZIFCJYIRSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNCC(=O)NC(C)C ZINC001674379540 1081865287 /nfs/dbraw/zinc/86/52/87/1081865287.db2.gz MTNIGCVCUSCCCJ-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCOCC ZINC001674419656 1081868796 /nfs/dbraw/zinc/86/87/96/1081868796.db2.gz ABDMMRXBOASSFV-SJLPKXTDSA-N 0 3 302.418 2.361 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001271068618 1081896287 /nfs/dbraw/zinc/89/62/87/1081896287.db2.gz 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/nfs/dbraw/zinc/98/90/07/1081989007.db2.gz KLNUEJZHQDIJDK-LPHOPBHVSA-N 0 3 316.445 2.228 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001282773049 1082030613 /nfs/dbraw/zinc/03/06/13/1082030613.db2.gz ODADXQNMGUVOPF-YJBOKZPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)NC(C)C ZINC001482487848 1082041571 /nfs/dbraw/zinc/04/15/71/1082041571.db2.gz ANLQOAKTFJCLLN-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001266468214 1082056894 /nfs/dbraw/zinc/05/68/94/1082056894.db2.gz MDQYOJAHURUDDS-IRXDYDNUSA-N 0 3 316.449 2.074 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2nccn2C)C1 ZINC001271636965 1082098339 /nfs/dbraw/zinc/09/83/39/1082098339.db2.gz WQTXZNVFZMUJFN-HZPDHXFCSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)CCc2ccc(F)cc2)C1 ZINC001266518284 1082099390 /nfs/dbraw/zinc/09/93/90/1082099390.db2.gz XUTKBNAPPMCXNT-NVXWUHKLSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001279147657 1082115132 /nfs/dbraw/zinc/11/51/32/1082115132.db2.gz BAMQZYWBMAUXPN-ZBFHGGJFSA-N 0 3 318.465 2.269 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H]1OCCc2ccccc21 ZINC001266567080 1082164308 /nfs/dbraw/zinc/16/43/08/1082164308.db2.gz VQAJRGQPBXYRGO-SFHVURJKSA-N 0 3 314.429 2.152 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1CCOC1 ZINC001271819961 1082164601 /nfs/dbraw/zinc/16/46/01/1082164601.db2.gz YALJGQSYEATLAL-GOSISDBHSA-N 0 3 314.429 2.055 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1n[nH]c(C(C)C)n1)C(C)C ZINC001271878092 1082179590 /nfs/dbraw/zinc/17/95/90/1082179590.db2.gz PQQXENRUAXCUEK-ZDUSSCGKSA-N 0 3 321.469 2.371 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CNCC=C(Cl)Cl ZINC001280434301 1082208725 /nfs/dbraw/zinc/20/87/25/1082208725.db2.gz PFECDBQORAAARN-GFCCVEGCSA-N 0 3 321.248 2.479 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001670666333 1082209049 /nfs/dbraw/zinc/20/90/49/1082209049.db2.gz 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/nfs/dbraw/zinc/27/61/86/1082276186.db2.gz PMVZPDZSAKCQAO-OAHLLOKOSA-N 0 3 310.401 2.169 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266678515 1082276505 /nfs/dbraw/zinc/27/65/05/1082276505.db2.gz FUAFICLXTGTJCX-IXDOHACOSA-N 0 3 316.470 2.417 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CCCN(CC#CC)C1)OCC ZINC001266752295 1082320948 /nfs/dbraw/zinc/32/09/48/1082320948.db2.gz QOWULCGCQABCPX-IAGOWNOFSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@](C)(OC)c2ccccc2)C1 ZINC001266766961 1082330568 /nfs/dbraw/zinc/33/05/68/1082330568.db2.gz JTPZWKZDCOWYFC-QFBILLFUSA-N 0 3 314.429 2.010 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCCOCC ZINC001272054123 1082342338 /nfs/dbraw/zinc/34/23/38/1082342338.db2.gz RZJLSSUGJJMODB-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN COCC#CCNCCN(C)C(=O)CC(C1CCC1)C1CCC1 ZINC001266836245 1082379708 /nfs/dbraw/zinc/37/97/08/1082379708.db2.gz KTJPHCADJNKRHG-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)C#Cc1ccc(Cl)cc1)CC2 ZINC001272065288 1082390925 /nfs/dbraw/zinc/39/09/25/1082390925.db2.gz OEXLDSLJPGAERS-UHFFFAOYSA-N 0 3 302.805 2.246 20 30 DEEDHN C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001266853895 1082397463 /nfs/dbraw/zinc/39/74/63/1082397463.db2.gz VZNWWVVNENFILC-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001266853895 1082397472 /nfs/dbraw/zinc/39/74/72/1082397472.db2.gz VZNWWVVNENFILC-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCCc2ccccn2)C1 ZINC001266898669 1082439459 /nfs/dbraw/zinc/43/94/59/1082439459.db2.gz XQAUNXXDYLOINS-IRXDYDNUSA-N 0 3 313.445 2.254 20 30 DEEDHN CCN(CCNCc1ccnc(Cl)c1)C(=O)C#CC(C)C ZINC001482923618 1082563719 /nfs/dbraw/zinc/56/37/19/1082563719.db2.gz ZDTUAPKZYCPGLD-UHFFFAOYSA-N 0 3 307.825 2.333 20 30 DEEDHN CCN(CCNCc1ccc(C#N)s1)C(=O)c1ccsn1 ZINC001482932940 1082569574 /nfs/dbraw/zinc/56/95/74/1082569574.db2.gz RQUBVYCXYKHEJQ-UHFFFAOYSA-N 0 3 320.443 2.328 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cnn(CCC)c1C1CC1 ZINC001496817722 1082679890 /nfs/dbraw/zinc/67/98/90/1082679890.db2.gz GAMKBNSMFZLGRD-UHFFFAOYSA-N 0 3 304.438 2.360 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001483091979 1082702200 /nfs/dbraw/zinc/70/22/00/1082702200.db2.gz CUYJPFYJZWPULD-DSYXLKISSA-N 0 3 302.443 2.382 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001483091981 1082702246 /nfs/dbraw/zinc/70/22/46/1082702246.db2.gz CUYJPFYJZWPULD-MUBLQREKSA-N 0 3 302.443 2.382 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001483101121 1082709047 /nfs/dbraw/zinc/70/90/47/1082709047.db2.gz UYJFREGPDNEZEF-IYKSTZQJSA-N 0 3 302.393 2.290 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC001483127445 1082740879 /nfs/dbraw/zinc/74/08/79/1082740879.db2.gz CRVGRTMNJNBUNO-OLZOCXBDSA-N 0 3 324.371 2.160 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CNCc1cnn(-c2ccccc2)c1 ZINC001483213670 1082814044 /nfs/dbraw/zinc/81/40/44/1082814044.db2.gz WMSAXADUBPGZEL-HNNXBMFYSA-N 0 3 312.417 2.433 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cccc(COC)c2)C1 ZINC001276453171 1083447207 /nfs/dbraw/zinc/44/72/07/1083447207.db2.gz JDWYMUMADQHPBJ-OAHLLOKOSA-N 0 3 316.445 2.388 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)COc2c(C)cccc2C)C1 ZINC001276459642 1083448099 /nfs/dbraw/zinc/44/80/99/1083448099.db2.gz CPXPYKVVTZBIOL-INIZCTEOSA-N 0 3 314.429 2.142 20 30 DEEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1C#N ZINC001413350698 1083526811 /nfs/dbraw/zinc/52/68/11/1083526811.db2.gz WFZIZOZORNXQLW-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001280836243 1083566692 /nfs/dbraw/zinc/56/66/92/1083566692.db2.gz UJXWGRQINPZGAV-QGZVFWFLSA-N 0 3 302.393 2.269 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3cccc4ccccc43)[C@@H]2C1 ZINC001276737373 1083577796 /nfs/dbraw/zinc/57/77/96/1083577796.db2.gz KJRYYGWOYMTODK-OWZKRDHZSA-N 0 3 318.420 2.310 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107683638 1083595856 /nfs/dbraw/zinc/59/58/56/1083595856.db2.gz RDABBXCJQGZDGS-CZUORRHYSA-N 0 3 300.418 2.296 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107683637 1083596884 /nfs/dbraw/zinc/59/68/84/1083596884.db2.gz RDABBXCJQGZDGS-CJNGLKHVSA-N 0 3 300.418 2.296 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@H]([C@H](C)NCc2cccnc2)C1 ZINC001276791894 1083612278 /nfs/dbraw/zinc/61/22/78/1083612278.db2.gz YAEBULAHHQIJSF-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CC2CC(OCC)C2)C1 ZINC001276923788 1083682970 /nfs/dbraw/zinc/68/29/70/1083682970.db2.gz NRGBLKGOIJHTSV-PCKAHOCUSA-N 0 3 306.450 2.348 20 30 DEEDHN N#CCC1CN(C(=O)[C@@]23C[C@@H]2CCN3CCc2cccs2)C1 ZINC001276928907 1083685390 /nfs/dbraw/zinc/68/53/90/1083685390.db2.gz FDPUPVVGTINUDY-WMLDXEAASA-N 0 3 315.442 2.127 20 30 DEEDHN Cc1cc(CN2C[C@@H]3CCN(c4ccc(C#N)cc4)[C@@H]3C2)n(C)n1 ZINC001276960777 1083702611 /nfs/dbraw/zinc/70/26/11/1083702611.db2.gz QWNXRGNCJHXLMT-QFBILLFUSA-N 0 3 321.428 2.311 20 30 DEEDHN C=CCn1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N(C)C)C2)cn1 ZINC001277018128 1083733657 /nfs/dbraw/zinc/73/36/57/1083733657.db2.gz DBUIEFKGANAOPU-AEFFLSMTSA-N 0 3 316.449 2.150 20 30 DEEDHN N#Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)ccc1F ZINC001277036289 1083741057 /nfs/dbraw/zinc/74/10/57/1083741057.db2.gz PROCTKFBZCLYAS-IRXDYDNUSA-N 0 3 311.364 2.274 20 30 DEEDHN C=CCCCCCN1CC[C@H]2C[C@]21C(=O)NCc1c[nH]cn1 ZINC001277151526 1083810588 /nfs/dbraw/zinc/81/05/88/1083810588.db2.gz KTDWOUOJFKTIFX-WMLDXEAASA-N 0 3 302.422 2.237 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107910530 1083872133 /nfs/dbraw/zinc/87/21/33/1083872133.db2.gz IGIVHDRVUGNCAR-QAPCUYQASA-N 0 3 319.449 2.499 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001490961067 1083973580 /nfs/dbraw/zinc/97/35/80/1083973580.db2.gz JUICVCAACPOFPS-SHTZXODSSA-N 0 3 324.371 2.294 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)cc1OC ZINC001272766745 1083985581 /nfs/dbraw/zinc/98/55/81/1083985581.db2.gz UNJBEIXGHANBBO-IAGOWNOFSA-N 0 3 312.413 2.202 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CC(F)(F)C(F)F)C2)C1 ZINC001277530341 1084022763 /nfs/dbraw/zinc/02/27/63/1084022763.db2.gz BCKDXDALUFKRJS-CQSZACIVSA-N 0 3 320.330 2.225 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@H]1C ZINC001277730603 1084117250 /nfs/dbraw/zinc/11/72/50/1084117250.db2.gz JQJDSWRXXYPMLZ-BQFYNABESA-N 0 3 321.248 2.477 20 30 DEEDHN COCC(=O)N[C@H](C)CCCCNCc1cc(F)ccc1C#N ZINC001168598540 1084125891 /nfs/dbraw/zinc/12/58/91/1084125891.db2.gz AZFIOYDCCAWMQT-CYBMUJFWSA-N 0 3 321.396 2.108 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001277767723 1084139496 /nfs/dbraw/zinc/13/94/96/1084139496.db2.gz XWUIYUCYQXLUJU-WMZOPIPTSA-N 0 3 316.445 2.290 20 30 DEEDHN O=C(c1cccnc1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001277797144 1084153261 /nfs/dbraw/zinc/15/32/61/1084153261.db2.gz OXAYNCCOKLXDMS-LJQANCHMSA-N 0 3 319.408 2.328 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001277870357 1084185271 /nfs/dbraw/zinc/18/52/71/1084185271.db2.gz DUSOQTYZUSLWQH-HIFRSBDPSA-N 0 3 316.449 2.236 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)OCc1ccccc1C ZINC001277893300 1084212255 /nfs/dbraw/zinc/21/22/55/1084212255.db2.gz IXIQMSHFXGBMKO-IRXDYDNUSA-N 0 3 316.445 2.360 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCOc2ccccc2)C1 ZINC001491297996 1084218656 /nfs/dbraw/zinc/21/86/56/1084218656.db2.gz ASYJZOPWOLADBL-IAGOWNOFSA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001491299095 1084222419 /nfs/dbraw/zinc/22/24/19/1084222419.db2.gz MCMVRQDWVTVEDS-ZFWWWQNUSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCCN(C)Cc1cccnc1 ZINC001235244651 1084357679 /nfs/dbraw/zinc/35/76/79/1084357679.db2.gz INZBDGKSCOYJQX-HNNXBMFYSA-N 0 3 305.422 2.001 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1cc(C2CC2)no1 ZINC001235302129 1084379332 /nfs/dbraw/zinc/37/93/32/1084379332.db2.gz DOOYGMRUAPJCAU-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN N#CCCN1CCC2(CN(C(=O)c3cccc4[nH]cnc43)C2)CC1 ZINC001277936823 1084384404 /nfs/dbraw/zinc/38/44/04/1084384404.db2.gz QJIOLUBGQFKYES-UHFFFAOYSA-N 0 3 323.400 2.015 20 30 DEEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CCCCOC ZINC001235376009 1084411539 /nfs/dbraw/zinc/41/15/39/1084411539.db2.gz MWNFXSGFZUEACQ-INIZCTEOSA-N 0 3 319.449 2.247 20 30 DEEDHN C=CCN(CCN1CCN[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001235858132 1084550500 /nfs/dbraw/zinc/55/05/00/1084550500.db2.gz DHMXLCZVFPZNAX-QGZVFWFLSA-N 0 3 317.433 2.277 20 30 DEEDHN C=CCCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001078218098 1084593183 /nfs/dbraw/zinc/59/31/83/1084593183.db2.gz UYRZQNNRVYSKQR-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001078248533 1084614945 /nfs/dbraw/zinc/61/49/45/1084614945.db2.gz RCYMJSYINSIQHE-ARFHVFGLSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cc(C)on2)C12CCC2 ZINC001078543195 1084743264 /nfs/dbraw/zinc/74/32/64/1084743264.db2.gz LLRZCHFXEWYVEV-OLZOCXBDSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2coc(C)n2)C12CCC2 ZINC001078604391 1084765378 /nfs/dbraw/zinc/76/53/78/1084765378.db2.gz MRAMNQABJIAUCB-OLZOCXBDSA-N 0 3 309.797 2.366 20 30 DEEDHN CCC[C@@H](OC)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001485908357 1084974415 /nfs/dbraw/zinc/97/44/15/1084974415.db2.gz QEOIRNFXWKTYDM-SJLPKXTDSA-N 0 3 316.445 2.290 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1ccsc1Cl ZINC001485930339 1085002257 /nfs/dbraw/zinc/00/22/57/1085002257.db2.gz PVSMPRBAQMKBAH-LLVKDONJSA-N 0 3 314.838 2.101 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2scnc2C)[C@@H]1C ZINC001486079108 1085063781 /nfs/dbraw/zinc/06/37/81/1085063781.db2.gz LBNHBQZLUZNYBC-UONOGXRCSA-N 0 3 305.447 2.334 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccc(OC)cc2)C1 ZINC001486125512 1085078168 /nfs/dbraw/zinc/07/81/68/1085078168.db2.gz BSLRGHTZRBUDEO-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN Cc1ncc(CNC[C@H]2CC[C@@H](NC(=O)C#CC(C)C)C2)o1 ZINC001486199874 1085125709 /nfs/dbraw/zinc/12/57/09/1085125709.db2.gz DUGMLLBVDOFEMD-LSDHHAIUSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C)[nH]c1=O ZINC000960311632 1085191057 /nfs/dbraw/zinc/19/10/57/1085191057.db2.gz CRACEDBCXUPEAK-IAGOWNOFSA-N 0 3 323.396 2.267 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1ccc(C)n1 ZINC000960309543 1085191436 /nfs/dbraw/zinc/19/14/36/1085191436.db2.gz VNIZYFFJWXXPFO-IEBWSBKVSA-N 0 3 324.428 2.139 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000960434543 1085280210 /nfs/dbraw/zinc/28/02/10/1085280210.db2.gz USOOVRJBCMZUKH-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2ccccc2nn1 ZINC001272944625 1085282202 /nfs/dbraw/zinc/28/22/02/1085282202.db2.gz RWSLNUMUIDLIRK-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC001486441286 1085324753 /nfs/dbraw/zinc/32/47/53/1085324753.db2.gz KIBYNMZYSKAMHK-QAPCUYQASA-N 0 3 316.420 2.417 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C)c(Cl)c1 ZINC000960534225 1085344525 /nfs/dbraw/zinc/34/45/25/1085344525.db2.gz GVDHUAJVIOMMAF-HALDLXJZSA-N 0 3 304.821 2.423 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2cccn2CC)CC1 ZINC001486520669 1085404857 /nfs/dbraw/zinc/40/48/57/1085404857.db2.gz HEESMVZILCWUTE-UHFFFAOYSA-N 0 3 317.433 2.073 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001486708568 1085539033 /nfs/dbraw/zinc/53/90/33/1085539033.db2.gz UGIYGUAUNJSDNY-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122002 1085594541 /nfs/dbraw/zinc/59/45/41/1085594541.db2.gz JBFHPWLJXAROHR-HOTGVXAUSA-N 0 3 312.413 2.200 20 30 DEEDHN C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122002 1085594551 /nfs/dbraw/zinc/59/45/51/1085594551.db2.gz JBFHPWLJXAROHR-HOTGVXAUSA-N 0 3 312.413 2.200 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc2nonc2c1 ZINC001128246207 1085637613 /nfs/dbraw/zinc/63/76/13/1085637613.db2.gz UDKVBSYEOZOXBF-UHFFFAOYSA-N 0 3 302.378 2.031 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2(C(F)(F)F)CCC2)[C@H](OC)C1 ZINC001212472421 1085687659 /nfs/dbraw/zinc/68/76/59/1085687659.db2.gz RUECJCUSEOPTKN-VXGBXAGGSA-N 0 3 320.355 2.111 20 30 DEEDHN C=C(C)CCC(=O)NCCNC[C@@H](O)c1cc(F)ccc1F ZINC001128417866 1085773752 /nfs/dbraw/zinc/77/37/52/1085773752.db2.gz HRPPBHHJRNNJDY-OAHLLOKOSA-N 0 3 312.360 2.060 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3ccc(C)c(C)c3)C2)OCC1=O ZINC001272987638 1085802947 /nfs/dbraw/zinc/80/29/47/1085802947.db2.gz FXHVJTXQSTVZBE-IBGZPJMESA-N 0 3 314.429 2.293 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2c(c1)CCO2 ZINC001273007791 1085899395 /nfs/dbraw/zinc/89/93/95/1085899395.db2.gz DRGRCIAJTUCSBJ-FQEVSTJZSA-N 0 3 324.424 2.212 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(C2CC2)c1 ZINC000962176103 1085994813 /nfs/dbraw/zinc/99/48/13/1085994813.db2.gz MJWXZZBMZSUFAI-VQFNDLOPSA-N 0 3 312.413 2.419 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(OC)c(Cl)c1 ZINC000962514903 1086144887 /nfs/dbraw/zinc/14/48/87/1086144887.db2.gz WVZBDHHCUIOVIZ-JYAVWHMHSA-N 0 3 306.793 2.195 20 30 DEEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1COC(C)(C)O1 ZINC001273085888 1086161904 /nfs/dbraw/zinc/16/19/04/1086161904.db2.gz RMAZGBRYAHCJQL-YJBOKZPZSA-N 0 3 322.449 2.171 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001033703019 1086351922 /nfs/dbraw/zinc/35/19/22/1086351922.db2.gz UEGHAFFMRHZZGK-GOSISDBHSA-N 0 3 313.445 2.312 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCCF)C1 ZINC001108124361 1086448810 /nfs/dbraw/zinc/44/88/10/1086448810.db2.gz JQDQOUVFLRTISL-GDBMZVCRSA-N 0 3 300.418 2.298 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cc(C#N)c[nH]1)C2 ZINC000963671472 1086533527 /nfs/dbraw/zinc/53/35/27/1086533527.db2.gz QVOIQGASZFXJMQ-UHFFFAOYSA-N 0 3 318.808 2.269 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H]2CCO[C@H](C(C)C)C2)CCC1 ZINC001273179527 1087197259 /nfs/dbraw/zinc/19/72/59/1087197259.db2.gz IKKFFZXNLWAMGC-HOTGVXAUSA-N 0 3 306.450 2.089 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001063496737 1087436390 /nfs/dbraw/zinc/43/63/90/1087436390.db2.gz FQGATWLFJSILJM-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001090330160 1087682319 /nfs/dbraw/zinc/68/23/19/1087682319.db2.gz SENMWEJBAGQZQJ-HOTGVXAUSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1c1cccc(F)c1 ZINC001079168826 1087730943 /nfs/dbraw/zinc/73/09/43/1087730943.db2.gz OPTZTBJGCYASHE-FUHWJXTLSA-N 0 3 323.371 2.052 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1c1cccc(F)c1 ZINC001079171956 1087733254 /nfs/dbraw/zinc/73/32/54/1087733254.db2.gz KZCWYCRGSAXIFO-XOKHGSTOSA-N 0 3 302.393 2.389 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1c1cccc(F)c1 ZINC001079197468 1087762354 /nfs/dbraw/zinc/76/23/54/1087762354.db2.gz LOTYINBBNKGTAL-LSDHHAIUSA-N 0 3 324.346 2.388 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)/C(C)=C/C)[C@@H]3COC[C@@H]32)CC1 ZINC001079233273 1087766830 /nfs/dbraw/zinc/76/68/30/1087766830.db2.gz MHKGUUXDJKYMND-YLGAGNJQSA-N 0 3 304.434 2.078 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114729674 1088306231 /nfs/dbraw/zinc/30/62/31/1088306231.db2.gz WUJGUGLINNQLMU-KBEGMRNHSA-N 0 3 306.450 2.062 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001079789685 1088403177 /nfs/dbraw/zinc/40/31/77/1088403177.db2.gz RLGUMCQICGDAEN-TZMCWYRMSA-N 0 3 307.463 2.046 20 30 DEEDHN C=C(C)CCC(=O)N(CC)C1CN(C(=O)C(C)(C)N(C)CC)C1 ZINC001079880071 1088469183 /nfs/dbraw/zinc/46/91/83/1088469183.db2.gz UFPPWCRBHPUNGP-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ccc2[nH]ccc2c1 ZINC001114575783 1088543210 /nfs/dbraw/zinc/54/32/10/1088543210.db2.gz CKLONKRKULVGQN-MNZLEMJZSA-N 0 3 309.413 2.333 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001080070034 1088601026 /nfs/dbraw/zinc/60/10/26/1088601026.db2.gz OAPFJVDNGWESKE-CZUORRHYSA-N 0 3 320.408 2.389 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCOC3)C1 ZINC001080108124 1088627023 /nfs/dbraw/zinc/62/70/23/1088627023.db2.gz IKUIPHINTPQQLU-RDTXWAMCSA-N 0 3 314.429 2.386 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2ccc(CCC)s2)C1 ZINC000958101140 1088791732 /nfs/dbraw/zinc/79/17/32/1088791732.db2.gz NAQBYPBXEAHGJV-ZFWWWQNUSA-N 0 3 322.474 2.299 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC000958113688 1088797831 /nfs/dbraw/zinc/79/78/31/1088797831.db2.gz ZNORGUIIQPVFMV-ROUUACIJSA-N 0 3 314.429 2.163 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001080359258 1088819488 /nfs/dbraw/zinc/81/94/88/1088819488.db2.gz GPSRXHOCQORRPE-RHSMWYFYSA-N 0 3 311.429 2.343 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001080336729 1088829403 /nfs/dbraw/zinc/82/94/03/1088829403.db2.gz QJFMPTLHEAZMFJ-CSMYWGQOSA-N 0 3 302.393 2.478 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001276311693 1088953264 /nfs/dbraw/zinc/95/32/64/1088953264.db2.gz NNRJYRPTNNATQV-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2csc(Cl)c2)C1 ZINC000958458012 1088999530 /nfs/dbraw/zinc/99/95/30/1088999530.db2.gz GWFOVJGSEOMJRD-NEPJUHHUSA-N 0 3 314.838 2.000 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)Cc1cscn1 ZINC001276326010 1089004609 /nfs/dbraw/zinc/00/46/09/1089004609.db2.gz CZGIXEAKUDHFAU-HNNXBMFYSA-N 0 3 305.447 2.070 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001080583544 1089076363 /nfs/dbraw/zinc/07/63/63/1089076363.db2.gz JCTVLNWEGZYQPQ-TZMCWYRMSA-N 0 3 303.406 2.180 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001080585976 1089082209 /nfs/dbraw/zinc/08/22/09/1089082209.db2.gz UPDASGUZXJUSPC-BVPBIZIASA-N 0 3 314.429 2.421 20 30 DEEDHN C=CCN1C[C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[C@H](O)C1 ZINC000958614861 1089097421 /nfs/dbraw/zinc/09/74/21/1089097421.db2.gz YJBWMSKMWOTIHW-NVXWUHKLSA-N 0 3 316.445 2.193 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC000958654067 1089126814 /nfs/dbraw/zinc/12/68/14/1089126814.db2.gz QFFDNCMWJIBOKY-IRXDYDNUSA-N 0 3 316.445 2.210 20 30 DEEDHN Cc1ccccc1CN1CC([C@H](C)NC(=O)CSCC#N)C1 ZINC001276343742 1089133468 /nfs/dbraw/zinc/13/34/68/1089133468.db2.gz ZAZNGQNZRPXETJ-AWEZNQCLSA-N 0 3 317.458 2.188 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](OC)C1 ZINC001081798914 1089473164 /nfs/dbraw/zinc/47/31/64/1089473164.db2.gz XOZRVNSCUXOLEE-HZPDHXFCSA-N 0 3 324.371 2.360 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@H](OC)C1 ZINC001081801964 1089475352 /nfs/dbraw/zinc/47/53/52/1089475352.db2.gz LTCAMNCWTZMCLG-HZPDHXFCSA-N 0 3 324.371 2.360 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(C)c2cccs2)[C@H](OC)C1 ZINC001082022047 1089640096 /nfs/dbraw/zinc/64/00/96/1089640096.db2.gz GSKZIMXTJWVMCC-ZIAGYGMSSA-N 0 3 322.474 2.417 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2occc2CC)[C@H](OC)C1 ZINC001082105290 1089727494 /nfs/dbraw/zinc/72/74/94/1089727494.db2.gz ROJHJLIVYSLMJH-HUUCEWRRSA-N 0 3 306.406 2.237 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)Cc2sc(C)cc2C)[C@H](OC)C1 ZINC001082349010 1089861354 /nfs/dbraw/zinc/86/13/54/1089861354.db2.gz DCTVJROVTFWAQU-HUUCEWRRSA-N 0 3 322.474 2.299 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](OC)C1 ZINC001082361104 1089876505 /nfs/dbraw/zinc/87/65/05/1089876505.db2.gz KGJRMNVCPKOUJK-IAGOWNOFSA-N 0 3 313.401 2.173 20 30 DEEDHN Cc1cncc(CNC[C@@H]2CCCCN2C(=O)C#CC2CC2)c1 ZINC000960002720 1089900374 /nfs/dbraw/zinc/90/03/74/1089900374.db2.gz HKUPQWBHUGHDQF-SFHVURJKSA-N 0 3 311.429 2.274 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C3CC4(CCC4)C3)[C@H]2C1 ZINC001083167985 1090172940 /nfs/dbraw/zinc/17/29/40/1090172940.db2.gz IBQIGFUPRTUHSP-JKSUJKDBSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H](O)C1 ZINC001083993689 1090185659 /nfs/dbraw/zinc/18/56/59/1090185659.db2.gz TYZBUAZITJHEKD-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccccc2CC(C)C)[C@@H](O)C1 ZINC001084105476 1090200493 /nfs/dbraw/zinc/20/04/93/1090200493.db2.gz HDHDKDYMNIFQTC-MSOLQXFVSA-N 0 3 316.445 2.236 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ncc(C)cc3OC)[C@@H]2C1 ZINC001084415334 1090282685 /nfs/dbraw/zinc/28/26/85/1090282685.db2.gz RACMLDJCUUICIE-HUUCEWRRSA-N 0 3 315.417 2.121 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3scnc3CC)[C@@H]2C1 ZINC001084391886 1090287677 /nfs/dbraw/zinc/28/76/77/1090287677.db2.gz SKFQUCVXVQHGJC-TZMCWYRMSA-N 0 3 305.447 2.428 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C(F)F)ncn3)[C@@H]2C1 ZINC001084450139 1090292986 /nfs/dbraw/zinc/29/29/86/1090292986.db2.gz ZQZKWZQVGIJCCL-BXUZGUMPSA-N 0 3 322.359 2.137 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](C)n3ccc(C)n3)[C@@H]2C1 ZINC001084573069 1090333429 /nfs/dbraw/zinc/33/34/29/1090333429.db2.gz FISKWQJCFKESIT-GVDBMIGSSA-N 0 3 316.449 2.251 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc4c3ccn4C)[C@@H]2C1 ZINC001084725231 1090413494 /nfs/dbraw/zinc/41/34/94/1090413494.db2.gz PYHNFVHYTINWPI-DNVCBOLYSA-N 0 3 321.424 2.348 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cccnc3OCC)[C@@H]2C1 ZINC001084807595 1090453666 /nfs/dbraw/zinc/45/36/66/1090453666.db2.gz YQPGNYIJEOVFHI-GDBMZVCRSA-N 0 3 315.417 2.203 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COc3ccc(F)cc3)[C@@H]2C1 ZINC001084823961 1090462909 /nfs/dbraw/zinc/46/29/09/1090462909.db2.gz ALGOBFLAQVFKIO-RHSMWYFYSA-N 0 3 318.392 2.313 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cn3ccc4ccccc43)[C@@H]2C1 ZINC001084840288 1090471722 /nfs/dbraw/zinc/47/17/22/1090471722.db2.gz XYZRFSNEHQBORT-IEBWSBKVSA-N 0 3 321.424 2.197 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001084906405 1090507743 /nfs/dbraw/zinc/50/77/43/1090507743.db2.gz PPPLHXUBVCLADI-QGTPRVQTSA-N 0 3 322.412 2.141 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(F)(F)F)C[C@@H]21 ZINC001085009193 1090580259 /nfs/dbraw/zinc/58/02/59/1090580259.db2.gz PKZIICYRTQIMBU-XQQFMLRXSA-N 0 3 302.340 2.131 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NCc1ccsc1 ZINC001410363785 1090586046 /nfs/dbraw/zinc/58/60/46/1090586046.db2.gz CZLHDGRRGDTVIY-NSHDSACASA-N 0 3 302.403 2.198 20 30 DEEDHN C[C@@H](CN(C)C(=O)C1(C)CC1)NCc1ccc(C#N)c(F)c1 ZINC001410369691 1090590541 /nfs/dbraw/zinc/59/05/41/1090590541.db2.gz DMXQTNLIWKLFPE-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)C(F)F ZINC001085112149 1090653789 /nfs/dbraw/zinc/65/37/89/1090653789.db2.gz UTXPABLFBPGTPG-RKDXNWHRSA-N 0 3 311.170 2.177 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273284059 1090707813 /nfs/dbraw/zinc/70/78/13/1090707813.db2.gz DDAGNDWZEGLVHJ-QGZVFWFLSA-N 0 3 304.365 2.284 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(OCC)c1 ZINC001273303582 1090829275 /nfs/dbraw/zinc/82/92/75/1090829275.db2.gz MLBIQUATACWVRU-QZTJIDSGSA-N 0 3 312.413 2.284 20 30 DEEDHN C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(CC=C)c2[O-])C1=O ZINC001273360756 1091090436 /nfs/dbraw/zinc/09/04/36/1091090436.db2.gz VDWMRLGUELZAQC-HXUWFJFHSA-N 0 3 324.424 2.321 20 30 DEEDHN C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(CC=C)c2[O-])C1=O ZINC001273360756 1091090442 /nfs/dbraw/zinc/09/04/42/1091090442.db2.gz VDWMRLGUELZAQC-HXUWFJFHSA-N 0 3 324.424 2.321 20 30 DEEDHN C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3ccns3)C2)C1=O ZINC001274504120 1091273643 /nfs/dbraw/zinc/27/36/43/1091273643.db2.gz UJXPDWNQRCGEDB-MRXNPFEDSA-N 0 3 319.430 2.060 20 30 DEEDHN C=C(C)CN1CCC2(CCN(Cc3ccc(N)nc3)CC2)C1=O ZINC001274545051 1091294612 /nfs/dbraw/zinc/29/46/12/1091294612.db2.gz UYKQBSKXTXDSJJ-UHFFFAOYSA-N 0 3 314.433 2.054 20 30 DEEDHN CC(C)CN1CC[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274794150 1091422113 /nfs/dbraw/zinc/42/21/13/1091422113.db2.gz WFXWKQBDUHZQND-SFHVURJKSA-N 0 3 312.417 2.034 20 30 DEEDHN CC[C@H](C)C(=O)N1CCC2(CCN(CC#CCOC)CC2)CC1 ZINC001274879405 1091461779 /nfs/dbraw/zinc/46/17/79/1091461779.db2.gz XYFLVHXVUMHTJT-KRWDZBQOSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)Cc2cccc(C)c2)CC1 ZINC001274923130 1091474919 /nfs/dbraw/zinc/47/49/19/1091474919.db2.gz CUMIULRVIDIPHY-UHFFFAOYSA-N 0 3 316.445 2.057 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)CCCOCC)CC[C@@H]1C(F)(F)F ZINC001279173897 1091542884 /nfs/dbraw/zinc/54/28/84/1091542884.db2.gz PQEYHZPTSLXAIC-STQMWFEESA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCOCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001275088694 1091545619 /nfs/dbraw/zinc/54/56/19/1091545619.db2.gz YSXMVJXQAAPRDI-HNNXBMFYSA-N 0 3 318.417 2.131 20 30 DEEDHN C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001275088694 1091545627 /nfs/dbraw/zinc/54/56/27/1091545627.db2.gz YSXMVJXQAAPRDI-HNNXBMFYSA-N 0 3 318.417 2.131 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccn(CC(C)C)n1 ZINC001275114946 1091565120 /nfs/dbraw/zinc/56/51/20/1091565120.db2.gz LXADHUBBPRCVMU-OAHLLOKOSA-N 0 3 304.438 2.262 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c[nH]nc1-c1ccoc1 ZINC001275129271 1091573390 /nfs/dbraw/zinc/57/33/90/1091573390.db2.gz RDXFLYXRTMZPQV-CQSZACIVSA-N 0 3 314.389 2.392 20 30 DEEDHN C#Cc1ccc(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)cc1 ZINC001275132230 1091576032 /nfs/dbraw/zinc/57/60/32/1091576032.db2.gz OQYVGUZVTQVVPV-PMACEKPBSA-N 0 3 310.441 2.496 20 30 DEEDHN Cn1cc(CN2CCC3(CN(Cc4ccco4)C3)C2)cc1C#N ZINC001275236195 1091629934 /nfs/dbraw/zinc/62/99/34/1091629934.db2.gz NGWMIYGWWOKEGV-UHFFFAOYSA-N 0 3 310.401 2.198 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001275257721 1091641417 /nfs/dbraw/zinc/64/14/17/1091641417.db2.gz AZFNUETXESVMPX-KBPBESRZSA-N 0 3 323.481 2.082 20 30 DEEDHN Cc1ocnc1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001275365384 1091691402 /nfs/dbraw/zinc/69/14/02/1091691402.db2.gz JDKQWTMSVAXZQK-KBPBESRZSA-N 0 3 311.385 2.131 20 30 DEEDHN C[C@@H](CNCc1ccccn1)NC(=O)CC#Cc1ccccc1 ZINC001275452457 1091760386 /nfs/dbraw/zinc/76/03/86/1091760386.db2.gz VFNVXUYLIIIIJQ-INIZCTEOSA-N 0 3 307.397 2.118 20 30 DEEDHN C=CCCCN1CCCC[C@]12CC(=O)N(COCCOC)C2 ZINC001273487213 1091877277 /nfs/dbraw/zinc/87/72/77/1091877277.db2.gz WCHZQTUHKPNQBP-QGZVFWFLSA-N 0 3 310.438 2.030 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(OC)cs2)CC1 ZINC000948674190 1091877938 /nfs/dbraw/zinc/87/79/38/1091877938.db2.gz QZXFEXGOYXDYKV-CYBMUJFWSA-N 0 3 306.431 2.316 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cc1cc(C)ccc1OC ZINC001273534544 1091908948 /nfs/dbraw/zinc/90/89/48/1091908948.db2.gz CMSYZZRPFBQBDC-UHFFFAOYSA-N 0 3 316.445 2.350 20 30 DEEDHN C#CCCCN1CCCC[C@@]12CC(=O)N(CC1CCOCC1)C2 ZINC001273542786 1091914372 /nfs/dbraw/zinc/91/43/72/1091914372.db2.gz NGFFMXACNYQQBP-IBGZPJMESA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001273565695 1091925310 /nfs/dbraw/zinc/92/53/10/1091925310.db2.gz IGGNMUJJTDCGJD-UHFFFAOYSA-N 0 3 310.800 2.435 20 30 DEEDHN CC(C)CN1CC[C@@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273619483 1091959681 /nfs/dbraw/zinc/95/96/81/1091959681.db2.gz JEKDHKFIPXLOGT-GOSISDBHSA-N 0 3 312.417 2.034 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cncc(Cl)c2)CC1 ZINC000948852638 1091966187 /nfs/dbraw/zinc/96/61/87/1091966187.db2.gz RRZUFIBFQFQCGE-HNNXBMFYSA-N 0 3 305.809 2.295 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2nc(C)oc2C)CC1 ZINC000948885533 1091980982 /nfs/dbraw/zinc/98/09/82/1091980982.db2.gz ANYYNYLAWIIBCJ-OAHLLOKOSA-N 0 3 303.406 2.241 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cc(F)c2ncccc2c1 ZINC001273667520 1091984500 /nfs/dbraw/zinc/98/45/00/1091984500.db2.gz AILWIFNYAQEUHP-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001296761178 1091999868 /nfs/dbraw/zinc/99/98/68/1091999868.db2.gz NBTYFYFDJQFCNY-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001273701968 1092002787 /nfs/dbraw/zinc/00/27/87/1092002787.db2.gz HCYPUTUUAMPDGM-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1cccc(C(F)F)c1 ZINC001273717014 1092012620 /nfs/dbraw/zinc/01/26/20/1092012620.db2.gz 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DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H](F)CC)C1 ZINC001488846128 1092777262 /nfs/dbraw/zinc/77/72/62/1092777262.db2.gz FKSNRYPVHPPELC-DCAQKATOSA-N 0 3 307.207 2.128 20 30 DEEDHN CC[C@H](F)C(=O)N1CC2(C[C@@H]1C)CCN(CC#CCOC)CC2 ZINC001488974845 1092859319 /nfs/dbraw/zinc/85/93/19/1092859319.db2.gz KMZOUJQBAIWPIK-HOTGVXAUSA-N 0 3 324.440 2.087 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N[C@@H](C)CC ZINC001489032537 1092893926 /nfs/dbraw/zinc/89/39/26/1092893926.db2.gz ZBWCQGFMCRVUEJ-PMPSAXMXSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1cccc(CN2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)c1C ZINC001489254665 1092987931 /nfs/dbraw/zinc/98/79/31/1092987931.db2.gz ATLDRFODMNBMSC-XPKDYRNWSA-N 0 3 315.417 2.242 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC001489300728 1093009140 /nfs/dbraw/zinc/00/91/40/1093009140.db2.gz MRJBNGNTSUQCAN-OLZOCXBDSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1C ZINC001489280624 1093013658 /nfs/dbraw/zinc/01/36/58/1093013658.db2.gz HUUTXZAFDYWHTQ-IWCQGFGOSA-N 0 3 306.450 2.204 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C[C@H](C)c1c(C)noc1C ZINC001490215829 1093229488 /nfs/dbraw/zinc/22/94/88/1093229488.db2.gz YSVUNKUNRJKBNL-ZDUSSCGKSA-N 0 3 305.422 2.246 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1cnn(C)c1 ZINC001490299092 1093281489 /nfs/dbraw/zinc/28/14/89/1093281489.db2.gz PVNWWSXPNGDBQG-DOTOQJQBSA-N 0 3 316.449 2.083 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(CC)C[C@H](F)CC)c1 ZINC001490344997 1093293650 /nfs/dbraw/zinc/29/36/50/1093293650.db2.gz JQULHTOLWXHZEY-MRXNPFEDSA-N 0 3 305.397 2.253 20 30 DEEDHN COCC#CCN(CCCNC(=O)C(C)(C)C(C)C)C1CC1 ZINC001490374605 1093331233 /nfs/dbraw/zinc/33/12/33/1093331233.db2.gz MYJMFTZVMFUFKA-UHFFFAOYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COCc2ccc(C)cc2)C1 ZINC001490545337 1093403885 /nfs/dbraw/zinc/40/38/85/1093403885.db2.gz DYQCVNOKDFRDAW-QGZVFWFLSA-N 0 3 302.418 2.278 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCOc2ccc(OC)cc2)C1 ZINC001490577028 1093427921 /nfs/dbraw/zinc/42/79/21/1093427921.db2.gz HEWMCMAMCWGFFH-HNNXBMFYSA-N 0 3 318.417 2.231 20 30 DEEDHN CCC[C@@H](CC)C(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001490604682 1093442914 /nfs/dbraw/zinc/44/29/14/1093442914.db2.gz OBIXGBQPWLJCTF-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN CCCC(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001490626230 1093451271 /nfs/dbraw/zinc/45/12/71/1093451271.db2.gz IIGWJGBRODSWDK-QGZVFWFLSA-N 0 3 302.393 2.462 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c[nH]1 ZINC001490797587 1093550041 /nfs/dbraw/zinc/55/00/41/1093550041.db2.gz CANLSMKSOPXPLR-KFWWJZLASA-N 0 3 302.422 2.362 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1c(F)cccc1C(F)(F)F ZINC001252487127 1093565799 /nfs/dbraw/zinc/56/57/99/1093565799.db2.gz MQRCUWQOJOKWPQ-JTQLQIEISA-N 0 3 307.287 2.498 20 30 DEEDHN CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2CCCCC#N ZINC001274040318 1093778793 /nfs/dbraw/zinc/77/87/93/1093778793.db2.gz KONTXJGYMJFALH-HUUCEWRRSA-N 0 3 319.449 2.361 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1C ZINC001274109337 1093802071 /nfs/dbraw/zinc/80/20/71/1093802071.db2.gz HNZXFDFXZUCPBY-IBGZPJMESA-N 0 3 312.413 2.291 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cccc3cncn31)CC2 ZINC001274111424 1093803059 /nfs/dbraw/zinc/80/30/59/1093803059.db2.gz ZAHVOLHOROXQEM-QGZVFWFLSA-N 0 3 324.428 2.239 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3ccnc(C(F)F)c3)C2)C1=O ZINC001274225638 1093860032 /nfs/dbraw/zinc/86/00/32/1093860032.db2.gz NQMGMXZJJUXMAI-QGZVFWFLSA-N 0 3 319.355 2.077 20 30 DEEDHN O=C1C=C2CN(Cc3cc(F)cc4c3OCOC4)CCC2S1 ZINC001141390067 1138301035 /nfs/dbraw/zinc/30/10/35/1138301035.db2.gz DRTCCMBSYNIVLU-CQSZACIVSA-N 0 3 321.373 2.466 20 30 DEEDHN N#Cc1cc(CN2CCC3(CC2)OC(=O)c2ncccc23)ccn1 ZINC001237469485 1138645323 /nfs/dbraw/zinc/64/53/23/1138645323.db2.gz VYBCXDFXRDAMMN-UHFFFAOYSA-N 0 3 320.352 2.010 20 30 DEEDHN C#CCN(C(=O)C1CCC1)C1CCN(CCOC(C)C)CC1 ZINC001278107009 1138658276 /nfs/dbraw/zinc/65/82/76/1138658276.db2.gz AXAZDWCCDSOYIM-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/05/25/77/1139052577.db2.gz FZOAVUBBQZUTQD-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(NC(C)C)nc1 ZINC001297372867 1139864718 /nfs/dbraw/zinc/86/47/18/1139864718.db2.gz ICBLRRYEFNWPHU-UHFFFAOYSA-N 0 3 304.438 2.482 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001491773408 1140304780 /nfs/dbraw/zinc/30/47/80/1140304780.db2.gz DWMKXFCOCFIDKH-RDJZCZTQSA-N 0 3 314.429 2.088 20 30 DEEDHN CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(CCOCCC(C)C)C1 ZINC001318457634 1140337486 /nfs/dbraw/zinc/33/74/86/1140337486.db2.gz JIQOGLBNNSJZLD-CVEARBPZSA-N 0 3 309.454 2.132 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCc2ccc(OC)nc2)C1 ZINC001318480913 1140344354 /nfs/dbraw/zinc/34/43/54/1140344354.db2.gz ZHPKSJVULPHIGG-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CC)N[C@H](C)C(=O)N(C)C)CCCC1 ZINC001318614831 1140373855 /nfs/dbraw/zinc/37/38/55/1140373855.db2.gz RUBADACMTXRTCD-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2onc3c2CCCC3)cc1 ZINC001318998330 1140488271 /nfs/dbraw/zinc/48/82/71/1140488271.db2.gz FOWVISPUMNSNMI-UHFFFAOYSA-N 0 3 323.396 2.206 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CN[C@H](C)c2nnc(C)[nH]2)CCC1 ZINC001319238026 1140532112 /nfs/dbraw/zinc/53/21/12/1140532112.db2.gz NCMXDEBHMJYWQK-QWHCGFSZSA-N 0 3 319.453 2.262 20 30 DEEDHN C#CCCCC(=O)N1CCC2(CN(CCOCC(C)C)C2)CC1 ZINC001319398196 1140562764 /nfs/dbraw/zinc/56/27/64/1140562764.db2.gz MYMWSORTWUUEKR-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C1(CC)CCCCC1 ZINC001319590102 1140621682 /nfs/dbraw/zinc/62/16/82/1140621682.db2.gz OJYIDQYJFHJSFV-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)c1c(C)coc1C ZINC001319607517 1140624408 /nfs/dbraw/zinc/62/44/08/1140624408.db2.gz DRKNZFKWZAPPQT-INIZCTEOSA-N 0 3 320.433 2.280 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccn(CC)n2)[C@@H](C)C1 ZINC001319682313 1140658757 /nfs/dbraw/zinc/65/87/57/1140658757.db2.gz LYRLMTFKSHLHOQ-DOTOQJQBSA-N 0 3 316.449 2.033 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)Cc1ccon1 ZINC001319736056 1140698467 /nfs/dbraw/zinc/69/84/67/1140698467.db2.gz NHCVQVHBCNRLLE-CQSZACIVSA-N 0 3 311.813 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCc1cc(C)ncn1)C(C)C ZINC001319937328 1140805125 /nfs/dbraw/zinc/80/51/25/1140805125.db2.gz VENRIOWXWWJYFH-OAHLLOKOSA-N 0 3 304.438 2.228 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnc2n1CCCC2 ZINC001320529315 1140875808 /nfs/dbraw/zinc/87/58/08/1140875808.db2.gz MZSNOJDOKIJIOB-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001320928440 1140996343 /nfs/dbraw/zinc/99/63/43/1140996343.db2.gz AOJYWXAQMYKQPD-IRXDYDNUSA-N 0 3 308.466 2.291 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001321173490 1141075536 /nfs/dbraw/zinc/07/55/36/1141075536.db2.gz GFJCKJBTQFOXMU-JTDRTSHGSA-N 0 3 318.461 2.115 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)OCc1ccc(C)cc1 ZINC001321176782 1141076401 /nfs/dbraw/zinc/07/64/01/1141076401.db2.gz VFXAFEFFACHKQL-JTGQJZMRSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC001321941175 1141369308 /nfs/dbraw/zinc/36/93/08/1141369308.db2.gz KNZJWAXJJDHILP-INIZCTEOSA-N 0 3 313.401 2.148 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ncc(Cl)s1 ZINC001322206355 1141462475 /nfs/dbraw/zinc/46/24/75/1141462475.db2.gz QIFZSOYUUPHPLF-SNVBAGLBSA-N 0 3 317.842 2.049 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)CCn1nc(C)cc1C ZINC001322217154 1141469030 /nfs/dbraw/zinc/46/90/30/1141469030.db2.gz BWKCQSHTLULYSJ-CQSZACIVSA-N 0 3 306.454 2.149 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1c(C)cc(=O)oc1C ZINC001322599604 1141641590 /nfs/dbraw/zinc/64/15/90/1141641590.db2.gz BYFUSIAONOVEBF-UHFFFAOYSA-N 0 3 312.797 2.061 20 30 DEEDHN C=CCCC(=O)N[C@@H](CNCc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC001322971694 1141785576 /nfs/dbraw/zinc/78/55/76/1141785576.db2.gz XDPFCAYRMMUKMN-ZDUSSCGKSA-N 0 3 319.453 2.053 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](CNCC=C(Cl)Cl)C1CC1 ZINC001322991894 1141794756 /nfs/dbraw/zinc/79/47/56/1141794756.db2.gz POAIHIYYVPAKCW-BXUZGUMPSA-N 0 3 321.248 2.117 20 30 DEEDHN N#Cc1ccc(F)c(-c2noc([C@@H]3CNCCC3(F)F)n2)c1 ZINC001248904249 1141833266 /nfs/dbraw/zinc/83/32/66/1141833266.db2.gz XBDLKLYRUQRNSX-JTQLQIEISA-N 0 3 308.263 2.460 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)OC ZINC001323358504 1141845674 /nfs/dbraw/zinc/84/56/74/1141845674.db2.gz VBXXRNJNULYVDE-QZTJIDSGSA-N 0 3 316.445 2.401 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccccc2OC(C)C)CC1 ZINC001323595482 1141868403 /nfs/dbraw/zinc/86/84/03/1141868403.db2.gz FBAOXKQLMFQHKN-UHFFFAOYSA-N 0 3 300.402 2.349 20 30 DEEDHN COCC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001323637986 1141872578 /nfs/dbraw/zinc/87/25/78/1141872578.db2.gz OGDLHAUECUPCGK-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cc(OC)cc(OC)c3)no2)CCCN1 ZINC001249351790 1141877200 /nfs/dbraw/zinc/87/72/00/1141877200.db2.gz JCMOVSSRVZRSCB-QGZVFWFLSA-N 0 3 313.357 2.356 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ncc(Cl)cc3OC)no2)CCCN1 ZINC001249351753 1141877498 /nfs/dbraw/zinc/87/74/98/1141877498.db2.gz GYWDXXGEGOZZOA-OAHLLOKOSA-N 0 3 318.764 2.396 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001323696126 1141877624 /nfs/dbraw/zinc/87/76/24/1141877624.db2.gz MKYHRPDMDJJTHQ-CVEARBPZSA-N 0 3 324.440 2.394 20 30 DEEDHN CN1C(=O)CC[C@H]2CN(Cc3cc4ccc(C#N)cc4[nH]3)CC[C@H]21 ZINC001249431102 1141888542 /nfs/dbraw/zinc/88/85/42/1141888542.db2.gz UJVVQXIRCHTZNI-MAUKXSAKSA-N 0 3 322.412 2.482 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@H](C)c1n[nH]c(C)n1 ZINC001324166605 1142021207 /nfs/dbraw/zinc/02/12/07/1142021207.db2.gz HXNUGFJBJVPXTC-OCCSQVGLSA-N 0 3 305.426 2.111 20 30 DEEDHN C#CCN(C(=O)c1occc1C)C1CCN(CCOCC)CC1 ZINC001324362516 1142063310 /nfs/dbraw/zinc/06/33/10/1142063310.db2.gz QFFCEOUFWRSRQM-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN C#CCN(C(=O)[C@H]1CC[C@@H](CC)O1)C1CCN(CC=C)CC1 ZINC001324398098 1142070504 /nfs/dbraw/zinc/07/05/04/1142070504.db2.gz YWVCMLIJYROHTC-IAGOWNOFSA-N 0 3 304.434 2.056 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@](C)(NC(=O)c2snnc2C)C1 ZINC001324572341 1142112984 /nfs/dbraw/zinc/11/29/84/1142112984.db2.gz GGVNYIKDQDUOJY-XHDPSFHLSA-N 0 3 308.451 2.395 20 30 DEEDHN N#Cc1cc(CNC[C@@H](O)COc2ccc(F)cc2F)cs1 ZINC001250885030 1142345289 /nfs/dbraw/zinc/34/52/89/1142345289.db2.gz VGKDJEJIHYKULH-GFCCVEGCSA-N 0 3 324.352 2.427 20 30 DEEDHN CCN1CCN([C@@H](C)CNc2cc(C#N)cc(Cl)n2)CC1 ZINC001336461107 1142477958 /nfs/dbraw/zinc/47/79/58/1142477958.db2.gz GXMWUWPXJDZDLT-LBPRGKRZSA-N 0 3 307.829 2.045 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)Cc2csc(CC)n2)CC1 ZINC001278636928 1142504717 /nfs/dbraw/zinc/50/47/17/1142504717.db2.gz OIYLEDTWASTKGL-UHFFFAOYSA-N 0 3 319.474 2.100 20 30 DEEDHN CC(C)OC[C@@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001336803459 1142576977 /nfs/dbraw/zinc/57/69/77/1142576977.db2.gz ISVIUVDWHQRQOW-HNNXBMFYSA-N 0 3 315.335 2.432 20 30 DEEDHN C=CCOC[C@@H](O)CN(C)CCc1cccc(C(F)(F)F)n1 ZINC001252455127 1142718704 /nfs/dbraw/zinc/71/87/04/1142718704.db2.gz XNWXFBIRZIBDIF-ZDUSSCGKSA-N 0 3 318.339 2.138 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cnc(-c2ccccc2)s1 ZINC001252481980 1142729460 /nfs/dbraw/zinc/72/94/60/1142729460.db2.gz GZPPBKMCCAFBTB-CQSZACIVSA-N 0 3 304.415 2.463 20 30 DEEDHN C=C[C@](C)(O)CNCC(=O)Nc1cc2ccccc2c(OC)c1 ZINC001252585549 1142771182 /nfs/dbraw/zinc/77/11/82/1142771182.db2.gz QAJWUPNPOOMDKW-SFHVURJKSA-N 0 3 314.385 2.314 20 30 DEEDHN C=CCC[C@H](O)CN1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001252600167 1142783928 /nfs/dbraw/zinc/78/39/28/1142783928.db2.gz YQEIIQVGKIUPGC-AWEZNQCLSA-N 0 3 310.438 2.303 20 30 DEEDHN C=CCC[C@H](O)CN1CCN(c2cccc3n[nH]cc32)CC1 ZINC001252603086 1142784708 /nfs/dbraw/zinc/78/47/08/1142784708.db2.gz KXFJYYUKTNGCMV-AWEZNQCLSA-N 0 3 300.406 2.012 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC(C#N)(c2ccccc2)CC1 ZINC001252665318 1142805114 /nfs/dbraw/zinc/80/51/14/1142805114.db2.gz BLLXYMRKEKOVIU-KRWDZBQOSA-N 0 3 302.418 2.330 20 30 DEEDHN CCC[C@@](C)(C#N)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252952550 1142833227 /nfs/dbraw/zinc/83/32/27/1142833227.db2.gz GIQYCZKPBIGAAK-ROUUACIJSA-N 0 3 301.434 2.295 20 30 DEEDHN C=C[C@@H](O)CNCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC001253610326 1142884156 /nfs/dbraw/zinc/88/41/56/1142884156.db2.gz CWLIJGQHTLHUDG-OAHLLOKOSA-N 0 3 317.410 2.156 20 30 DEEDHN CCn1c(CCCCC#N)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001339311229 1143009334 /nfs/dbraw/zinc/00/93/34/1143009334.db2.gz HQLTZJBJJTXZOY-OAHLLOKOSA-N 0 3 318.469 2.311 20 30 DEEDHN COc1cccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC001253955997 1143009717 /nfs/dbraw/zinc/00/97/17/1143009717.db2.gz MXJXDWKEDRRQDH-GJZGRUSLSA-N 0 3 304.390 2.061 20 30 DEEDHN CC1(COc2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cn2)COC1 ZINC001254647190 1143294366 /nfs/dbraw/zinc/29/43/66/1143294366.db2.gz FOFPDYVHOQBUGR-UKRRQHHQSA-N 0 3 301.390 2.279 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CCSC1 ZINC001340331069 1143325677 /nfs/dbraw/zinc/32/56/77/1143325677.db2.gz IBYSIAGYSLGENH-UONOGXRCSA-N 0 3 321.494 2.215 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C2(CC)CCCCC2)C1 ZINC001278827770 1143362937 /nfs/dbraw/zinc/36/29/37/1143362937.db2.gz ISCAROCNXSGGFH-SFHVURJKSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2(CC)CCCCC2)C1 ZINC001278827767 1143363301 /nfs/dbraw/zinc/36/33/01/1143363301.db2.gz ISCAROCNXSGGFH-GOSISDBHSA-N 0 3 308.466 2.476 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(c2ccc(OC)cn2)CC1 ZINC001340539599 1143368145 /nfs/dbraw/zinc/36/81/45/1143368145.db2.gz NAIXUQGUFQIEPJ-MRXNPFEDSA-N 0 3 317.433 2.480 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341044950 1143529898 /nfs/dbraw/zinc/52/98/98/1143529898.db2.gz IUYHCHPFQOATIV-WOPDTQHZSA-N 0 3 321.343 2.014 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001341410084 1143597549 /nfs/dbraw/zinc/59/75/49/1143597549.db2.gz SLRYMFCRQJTXMS-GOEBONIOSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)N(C)C)cc1OC ZINC001341614529 1143639731 /nfs/dbraw/zinc/63/97/31/1143639731.db2.gz GWPUCCXLCWPEJT-CYBMUJFWSA-N 0 3 319.405 2.019 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H]1CCOC(C)(C)C1 ZINC001255543667 1143740011 /nfs/dbraw/zinc/74/00/11/1143740011.db2.gz WDEQZOVRSFZJRK-GOEBONIOSA-N 0 3 319.449 2.480 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cccc(C)n1 ZINC001342606705 1143826259 /nfs/dbraw/zinc/82/62/59/1143826259.db2.gz NXWLBTJIHRRBAI-GFCCVEGCSA-N 0 3 309.325 2.360 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cnc2ccccn21)C(C)C ZINC001278912612 1143830696 /nfs/dbraw/zinc/83/06/96/1143830696.db2.gz UCLXVQANOHBACS-UHFFFAOYSA-N 0 3 312.417 2.140 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@]1(CO)c1ccccc1 ZINC001342813543 1143837831 /nfs/dbraw/zinc/83/78/31/1143837831.db2.gz LEEDLMWVQDWPLH-SJLPKXTDSA-N 0 3 302.418 2.180 20 30 DEEDHN C=CCN1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256293662 1143840504 /nfs/dbraw/zinc/84/05/04/1143840504.db2.gz ZCGJRKJUTHITGP-UHFFFAOYSA-N 0 3 309.454 2.190 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](CNCc1ccccn1)C(C)(C)C ZINC001278956242 1143861176 /nfs/dbraw/zinc/86/11/76/1143861176.db2.gz IQZJZRIWDPIOKK-CRAIPNDOSA-N 0 3 319.449 2.029 20 30 DEEDHN N#CC1CCC(n2cc(Br)ccc2=NCCN)CC1 ZINC001256959939 1143877151 /nfs/dbraw/zinc/87/71/51/1143877151.db2.gz VDKCHPVJPZDJDW-UHFFFAOYSA-N 0 3 323.238 2.365 20 30 DEEDHN N#CC1CCC(N2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC001256973540 1143877508 /nfs/dbraw/zinc/87/75/08/1143877508.db2.gz SASLVWMVCLMAAR-UHFFFAOYSA-N 0 3 305.813 2.334 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CNCc1cnnn1C)C(C)(C)C ZINC001278996170 1143890428 /nfs/dbraw/zinc/89/04/28/1143890428.db2.gz UBRIWARCOQHOND-PBHICJAKSA-N 0 3 321.469 2.038 20 30 DEEDHN C=CC[C@@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)N(C)C)C1=O ZINC001262199851 1144298463 /nfs/dbraw/zinc/29/84/63/1144298463.db2.gz BWXJYGYTTWTKQI-GJZGRUSLSA-N 0 3 301.390 2.094 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC001263094292 1144354940 /nfs/dbraw/zinc/35/49/40/1144354940.db2.gz BLFRPSLLOMRAPX-OAHLLOKOSA-N 0 3 304.438 2.228 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC001263113401 1144356969 /nfs/dbraw/zinc/35/69/69/1144356969.db2.gz HYPVTSJUVIBVHM-SJORKVTESA-N 0 3 302.418 2.140 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C=Cc1ccc(C(=O)OC)o1 ZINC001263615696 1144383289 /nfs/dbraw/zinc/38/32/89/1144383289.db2.gz CTTOPZFSVJEFMT-FVOPLDGLSA-N 0 3 313.313 2.172 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCn1nc(C)cc1C ZINC001263814731 1144398270 /nfs/dbraw/zinc/39/82/70/1144398270.db2.gz KOTNVFCAFZTNCN-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)CCCc2ccccn2)CC1 ZINC001279104355 1144528983 /nfs/dbraw/zinc/52/89/83/1144528983.db2.gz BEKCYJCPVYFZBK-MRXNPFEDSA-N 0 3 313.445 2.254 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccnn1C ZINC001264507882 1144549930 /nfs/dbraw/zinc/54/99/30/1144549930.db2.gz ALJVXALZXKRSSC-JSGCOSHPSA-N 0 3 324.856 2.393 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](C)C(C)(F)F)[C@H]1C ZINC001264720214 1144600289 /nfs/dbraw/zinc/60/02/89/1144600289.db2.gz GEUZEJSCSZFTLM-XQQFMLRXSA-N 0 3 304.381 2.059 20 30 DEEDHN C#CCCCC(=O)NCCCN(C)Cc1ccc(C)nc1C ZINC001264979992 1144618627 /nfs/dbraw/zinc/61/86/27/1144618627.db2.gz LTMZPIVODHHRGN-UHFFFAOYSA-N 0 3 301.434 2.440 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001265009826 1144624559 /nfs/dbraw/zinc/62/45/59/1144624559.db2.gz HAWUFOIGYTXVJM-IAGOWNOFSA-N 0 3 320.477 2.313 20 30 DEEDHN C=C(Cl)CN(C)CCCNC(=O)[C@H]1CCCCN1CC ZINC001265073124 1144637201 /nfs/dbraw/zinc/63/72/01/1144637201.db2.gz QPGZUGVZLNZWAF-CQSZACIVSA-N 0 3 301.862 2.051 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001265233419 1144673375 /nfs/dbraw/zinc/67/33/75/1144673375.db2.gz SOWJHZAMZGOVDS-OAHLLOKOSA-N 0 3 320.820 2.323 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001265300998 1144687818 /nfs/dbraw/zinc/68/78/18/1144687818.db2.gz BBVINOSVKPMFFE-SFHVURJKSA-N 0 3 316.445 2.239 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001265317570 1144692359 /nfs/dbraw/zinc/69/23/59/1144692359.db2.gz RQAMOTZSJOAFTF-RHSMWYFYSA-N 0 3 320.408 2.322 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2ccns2)C2CC2)C1 ZINC001265370471 1144699149 /nfs/dbraw/zinc/69/91/49/1144699149.db2.gz RFGVSMHPDQZFHR-AWEZNQCLSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC001265406636 1144702586 /nfs/dbraw/zinc/70/25/86/1144702586.db2.gz CHZOQZOKHXCNJO-OCABDXPQSA-N 0 3 304.434 2.053 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)NC(CC)CC)C1 ZINC001265432710 1144703788 /nfs/dbraw/zinc/70/37/88/1144703788.db2.gz YMFJTZWAWXJWHH-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccn(C(C)C)n1 ZINC001265648719 1144722013 /nfs/dbraw/zinc/72/20/13/1144722013.db2.gz DWQUWHNMURTDSL-INIZCTEOSA-N 0 3 304.438 2.163 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001265654568 1144723127 /nfs/dbraw/zinc/72/31/27/1144723127.db2.gz XPQKKBXQCSQEPS-CVEARBPZSA-N 0 3 302.418 2.452 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCC(=O)NCCC ZINC001265683688 1144726962 /nfs/dbraw/zinc/72/69/62/1144726962.db2.gz FJBOJNTVDHOFKB-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@H](CNC(=O)C=C1CCC1)NCc1ccc(F)c(C#N)c1 ZINC001265766330 1144739026 /nfs/dbraw/zinc/73/90/26/1144739026.db2.gz HJGRNRBVMFUKMF-GFCCVEGCSA-N 0 3 301.365 2.402 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(OCC(C)C)cc1 ZINC001265859069 1144748110 /nfs/dbraw/zinc/74/81/10/1144748110.db2.gz UGRXSMFXNYIRKS-OAHLLOKOSA-N 0 3 302.418 2.453 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](N(C)CC#CC)C1 ZINC001266107553 1144806007 /nfs/dbraw/zinc/80/60/07/1144806007.db2.gz FQMVXOYELYHVMP-AEFFLSMTSA-N 0 3 306.450 2.161 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001266116488 1144807002 /nfs/dbraw/zinc/80/70/02/1144807002.db2.gz KYBNTADOOOOQKZ-AWEZNQCLSA-N 0 3 305.809 2.295 20 30 DEEDHN COCC#CCN(CCCNC(=O)CC(C)=C(C)C)C1CC1 ZINC001266151995 1144810027 /nfs/dbraw/zinc/81/00/27/1144810027.db2.gz LTDUKHWVMQZXMT-UHFFFAOYSA-N 0 3 306.450 2.353 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1cnc(C)cn1 ZINC001266167149 1144811132 /nfs/dbraw/zinc/81/11/32/1144811132.db2.gz PEGHRHGKZPSTHX-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H]1CCO[C@@H](CC)C1)C1CC1 ZINC001266168698 1144811311 /nfs/dbraw/zinc/81/13/11/1144811311.db2.gz BBZRHUJOFDPVNL-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN Cc1nocc1CN1CCC[C@H]1CCCNC(=O)C#CC1CC1 ZINC001266215749 1144815161 /nfs/dbraw/zinc/81/51/61/1144815161.db2.gz MDRGXLCQWVVXBB-QGZVFWFLSA-N 0 3 315.417 2.257 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001279488904 1144823031 /nfs/dbraw/zinc/82/30/31/1144823031.db2.gz BIMOPUMZBLEQJM-QGZVFWFLSA-N 0 3 324.371 2.098 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H](C)n1cccn1 ZINC001280316520 1144835597 /nfs/dbraw/zinc/83/55/97/1144835597.db2.gz ZRFJOMXKLJCEQF-MRXNPFEDSA-N 0 3 324.428 2.216 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001280449114 1144840198 /nfs/dbraw/zinc/84/01/98/1144840198.db2.gz KAESKHIHVOUAGY-HUUCEWRRSA-N 0 3 319.453 2.186 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(C)c(Cl)c2)CCO1 ZINC001280627528 1144847273 /nfs/dbraw/zinc/84/72/73/1144847273.db2.gz DYBZFYUZGLCJRW-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001280747262 1144852510 /nfs/dbraw/zinc/85/25/10/1144852510.db2.gz PPVBPJNUJFUJBZ-GFCCVEGCSA-N 0 3 302.340 2.323 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001280747263 1144852556 /nfs/dbraw/zinc/85/25/56/1144852556.db2.gz PPVBPJNUJFUJBZ-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)COc1ccc(F)c(F)c1 ZINC001316610454 1144886046 /nfs/dbraw/zinc/88/60/46/1144886046.db2.gz JGANCPHNQODBIN-ZDUSSCGKSA-N 0 3 324.371 2.452 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1 ZINC001281568202 1144897853 /nfs/dbraw/zinc/89/78/53/1144897853.db2.gz SKIYQXIJDGDLHK-KRWDZBQOSA-N 0 3 317.477 2.137 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)n2cccn2)C(C)(C)C1 ZINC001281573074 1144898146 /nfs/dbraw/zinc/89/81/46/1144898146.db2.gz ZWWOUJDTCFXUJD-GJZGRUSLSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001316613183 1144908376 /nfs/dbraw/zinc/90/83/76/1144908376.db2.gz PNZAGPLHXLFJMA-OTVXOJSOSA-N 0 3 306.381 2.013 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncccc1F ZINC001281913432 1144919393 /nfs/dbraw/zinc/91/93/93/1144919393.db2.gz ZTNAVYJCRMLONJ-IAGOWNOFSA-N 0 3 323.371 2.229 20 30 DEEDHN C=C(C)CCC(=O)NC1CC(CNCc2cc(C)n(C)n2)C1 ZINC001282010905 1144928180 /nfs/dbraw/zinc/92/81/80/1144928180.db2.gz QHNDQLNZCZPAAI-UHFFFAOYSA-N 0 3 304.438 2.069 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(C3CC3)n2)C1 ZINC001282185800 1145009287 /nfs/dbraw/zinc/00/92/87/1145009287.db2.gz RCWAMKHBOBXQJJ-NWDGAFQWSA-N 0 3 317.437 2.021 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(C3CC3)n2)C1 ZINC001282185802 1145009654 /nfs/dbraw/zinc/00/96/54/1145009654.db2.gz RCWAMKHBOBXQJJ-VXGBXAGGSA-N 0 3 317.437 2.021 20 30 DEEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)CCOCc1ccccc1 ZINC001282384881 1145054141 /nfs/dbraw/zinc/05/41/41/1145054141.db2.gz RCEQDCJTFCWKMC-MRXNPFEDSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCO[C@H]1CC1(F)F ZINC001282444376 1145069756 /nfs/dbraw/zinc/06/97/56/1145069756.db2.gz PXDPFNHOJQJFTK-NEPJUHHUSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CCO[C@H]1CC1(F)F ZINC001282444378 1145070294 /nfs/dbraw/zinc/07/02/94/1145070294.db2.gz PXDPFNHOJQJFTK-RYUDHWBXSA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)COCc1ncc(C)o1 ZINC001282664270 1145116151 /nfs/dbraw/zinc/11/61/51/1145116151.db2.gz GMDIEXRNZZZGLB-HNNXBMFYSA-N 0 3 321.421 2.046 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(CCCOc2ccccc2)C1 ZINC001282700101 1145131742 /nfs/dbraw/zinc/13/17/42/1145131742.db2.gz GDBFTGMGRLOGQA-GJZGRUSLSA-N 0 3 315.417 2.052 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)COc2ccc(CC)cc2)C1 ZINC001282738125 1145156380 /nfs/dbraw/zinc/15/63/80/1145156380.db2.gz OPHHKVVBMQLAQJ-OAHLLOKOSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001282801338 1145167836 /nfs/dbraw/zinc/16/78/36/1145167836.db2.gz SQERQFRYZXHYJM-NVXWUHKLSA-N 0 3 314.429 2.052 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001283467505 1145449280 /nfs/dbraw/zinc/44/92/80/1145449280.db2.gz TUMMZGWTJYOFNT-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1 ZINC001364730746 1145515184 /nfs/dbraw/zinc/51/51/84/1145515184.db2.gz USMOTVJKGNZXOC-OKILXGFUSA-N 0 3 302.378 2.099 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)C(C)(C)c1c(C)noc1C ZINC001283667195 1145570617 /nfs/dbraw/zinc/57/06/17/1145570617.db2.gz VZEURTQILHBTOA-GFCCVEGCSA-N 0 3 305.422 2.029 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)NCc1ccc(C)c(C)c1 ZINC001283760200 1145634708 /nfs/dbraw/zinc/63/47/08/1145634708.db2.gz USYGYCIUCUCKOV-QGZVFWFLSA-N 0 3 304.434 2.226 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NCc1cccc(C)c1 ZINC001283792887 1145649029 /nfs/dbraw/zinc/64/90/29/1145649029.db2.gz PHZMPFWWRBENJC-INIZCTEOSA-N 0 3 304.434 2.164 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCOc2ccccc2C)C1 ZINC001284000837 1145744055 /nfs/dbraw/zinc/74/40/55/1145744055.db2.gz NYOZCTTUTDWSNC-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3c(s2)CCC3)C1 ZINC001284025436 1145755989 /nfs/dbraw/zinc/75/59/89/1145755989.db2.gz KLUASXDDNOWKDF-GXTWGEPZSA-N 0 3 302.443 2.453 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001284130706 1145805347 /nfs/dbraw/zinc/80/53/47/1145805347.db2.gz XCGRCPPHLKRYRO-WMZOPIPTSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CC[NH2+][C@H](CCNC(=O)c1ccccc1[O-])Cc1ccccc1 ZINC001284148720 1145807656 /nfs/dbraw/zinc/80/76/56/1145807656.db2.gz OZFTXLKTEGNYCD-QGZVFWFLSA-N 0 3 322.408 2.346 20 30 DEEDHN C#CC[NH2+][C@@H](CCNC(=O)c1ccccc1[O-])Cc1ccccc1 ZINC001284148719 1145807857 /nfs/dbraw/zinc/80/78/57/1145807857.db2.gz OZFTXLKTEGNYCD-KRWDZBQOSA-N 0 3 322.408 2.346 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001284208610 1145818549 /nfs/dbraw/zinc/81/85/49/1145818549.db2.gz IDGJMMZYMOXZJR-GJZGRUSLSA-N 0 3 318.465 2.397 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)CCc2ccccn2)CC1 ZINC001284718842 1145895020 /nfs/dbraw/zinc/89/50/20/1145895020.db2.gz GIZMIEKQHKCDOY-INIZCTEOSA-N 0 3 313.445 2.254 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(CC)C(=O)[C@H](CC)N(C)C)C1 ZINC001285023638 1146011138 /nfs/dbraw/zinc/01/11/38/1146011138.db2.gz BHAOYCZNASDGBO-CVEARBPZSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC2CC(OCC)C2)C1 ZINC001365818799 1146019619 /nfs/dbraw/zinc/01/96/19/1146019619.db2.gz TZSOKIFWEAEZTC-HFDVOGEKSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC001353369561 1151826944 /nfs/dbraw/zinc/82/69/44/1151826944.db2.gz HARVPUPDLDAGJE-STQMWFEESA-N 0 3 314.788 2.312 20 30 DEEDHN C=CCCC(=O)N1CC[C@@](C)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001286106095 1146425448 /nfs/dbraw/zinc/42/54/48/1146425448.db2.gz VFDVDYVFPSVKKY-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001286237646 1146536219 /nfs/dbraw/zinc/53/62/19/1146536219.db2.gz WPBRAJDSOCYZJV-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCc2nc(C)cs2)C1 ZINC001491940066 1147009431 /nfs/dbraw/zinc/00/94/31/1147009431.db2.gz ZGPROUUKODQDAH-HNNXBMFYSA-N 0 3 319.474 2.330 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2nc(CC)oc2C)C1 ZINC001491955011 1147018156 /nfs/dbraw/zinc/01/81/56/1147018156.db2.gz PCPAUYZHACTVCS-CQSZACIVSA-N 0 3 303.406 2.105 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC001492067407 1147059346 /nfs/dbraw/zinc/05/93/46/1147059346.db2.gz GIYMMDTXSJNQHB-AWEZNQCLSA-N 0 3 318.465 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H](C)SC)C2)CC1 ZINC001316671367 1147146642 /nfs/dbraw/zinc/14/66/42/1147146642.db2.gz ROMBQGWKXPPVJQ-GJZGRUSLSA-N 0 3 308.491 2.464 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001492337387 1147218430 /nfs/dbraw/zinc/21/84/30/1147218430.db2.gz JDUXEYOSTYXYMH-CQSZACIVSA-N 0 3 306.381 2.001 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(OC)c(OC)c1C ZINC001492297950 1147223059 /nfs/dbraw/zinc/22/30/59/1147223059.db2.gz ZCTSRHXECBRXOQ-UHFFFAOYSA-N 0 3 306.406 2.250 20 30 DEEDHN C[C@@H](CCNC(=O)[C@@H]1CC1(F)F)NCc1ccccc1C#N ZINC001366460617 1147293621 /nfs/dbraw/zinc/29/36/21/1147293621.db2.gz UJNVYVYOLIYTFF-FZMZJTMJSA-N 0 3 307.344 2.198 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)[C@H]1CC ZINC001316732301 1147349984 /nfs/dbraw/zinc/34/99/84/1147349984.db2.gz DFHVGTYFBAFKCS-DZGCQCFKSA-N 0 3 305.426 2.134 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)[C@H]1CC ZINC001316732301 1147349990 /nfs/dbraw/zinc/34/99/90/1147349990.db2.gz DFHVGTYFBAFKCS-DZGCQCFKSA-N 0 3 305.426 2.134 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCCF ZINC001316696010 1147412737 /nfs/dbraw/zinc/41/27/37/1147412737.db2.gz RCSVRUUWFZZQQA-ILXRZTDVSA-N 0 3 300.418 2.154 20 30 DEEDHN N#Cc1cccnc1NCCNCc1cnc(Cl)c(F)c1 ZINC001308228138 1147456089 /nfs/dbraw/zinc/45/60/89/1147456089.db2.gz DZMSMPYGBSKHNO-UHFFFAOYSA-N 0 3 305.744 2.342 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC001310285205 1147515755 /nfs/dbraw/zinc/51/57/55/1147515755.db2.gz BRBAZJVIOGOKOM-UHFFFAOYSA-N 0 3 322.840 2.483 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC001316743936 1147541245 /nfs/dbraw/zinc/54/12/45/1147541245.db2.gz LAFLAQDICQYKQC-MRXNPFEDSA-N 0 3 320.408 2.219 20 30 DEEDHN C=CCOCCCC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001316768630 1147576866 /nfs/dbraw/zinc/57/68/66/1147576866.db2.gz QZZZWGAKEQENSC-HNNXBMFYSA-N 0 3 300.418 2.300 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCCC[C@H](NCC(=O)N(C)C)C1 ZINC001316774432 1147578426 /nfs/dbraw/zinc/57/84/26/1147578426.db2.gz KYEOVTFOEFDJRT-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1CC ZINC001316730473 1147592623 /nfs/dbraw/zinc/59/26/23/1147592623.db2.gz XFRSGFAIGLJGLD-DZGCQCFKSA-N 0 3 323.462 2.237 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(CC)C/C=C/Cl)nc1 ZINC001316908071 1147628840 /nfs/dbraw/zinc/62/88/40/1147628840.db2.gz VGRVJLOEAIIUCK-WEVVVXLNSA-N 0 3 305.809 2.257 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)[C@](C)(OC)c2ccccc2F)C1 ZINC001316981440 1147643084 /nfs/dbraw/zinc/64/30/84/1147643084.db2.gz GHSLWKQMVCIVQK-RDTXWAMCSA-N 0 3 320.408 2.454 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001317007462 1147647528 /nfs/dbraw/zinc/64/75/28/1147647528.db2.gz IAKPUHSZEVNHST-UHFFFAOYSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](N[C@@H](C)c1n[nH]c(CC)n1)C1CC1 ZINC001317026096 1147649841 /nfs/dbraw/zinc/64/98/41/1147649841.db2.gz LDPGMKVENLXYRY-AAEUAGOBSA-N 0 3 319.453 2.125 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CN(C)Cc2cnoc2C)C1 ZINC001317032681 1147650507 /nfs/dbraw/zinc/65/05/07/1147650507.db2.gz HDEDOEVTUXISEO-INIZCTEOSA-N 0 3 317.433 2.457 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001317052598 1147653673 /nfs/dbraw/zinc/65/36/73/1147653673.db2.gz GOTOHEFCHYKMNC-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccnc(N(C)C)c2)C1 ZINC001317057089 1147653997 /nfs/dbraw/zinc/65/39/97/1147653997.db2.gz NPXJBPWWHZDZGK-INIZCTEOSA-N 0 3 316.449 2.194 20 30 DEEDHN CC[C@@H](F)CN[C@H]1CCN(C(=O)CC#Cc2ccccc2)C1 ZINC001317068925 1147655829 /nfs/dbraw/zinc/65/58/29/1147655829.db2.gz AJKHBMWCTBAMJP-SJORKVTESA-N 0 3 302.393 2.367 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001317118561 1147661906 /nfs/dbraw/zinc/66/19/06/1147661906.db2.gz VFBOXZMHFHSFEX-IYBDPMFKSA-N 0 3 303.381 2.151 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)CCc2ccc(OC)cc2)C1 ZINC001317137832 1147664791 /nfs/dbraw/zinc/66/47/91/1147664791.db2.gz OCAYXCKSFZCARE-KRWDZBQOSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)CC(F)(F)C(F)F)C1 ZINC001317139581 1147665175 /nfs/dbraw/zinc/66/51/75/1147665175.db2.gz KCWQMMLHBKWXDH-NSHDSACASA-N 0 3 308.319 2.128 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC[C@@H](F)CC)cn1 ZINC001317196425 1147674598 /nfs/dbraw/zinc/67/45/98/1147674598.db2.gz CCCUWPJBMZHBQE-RDJZCZTQSA-N 0 3 317.408 2.395 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001317206232 1147676732 /nfs/dbraw/zinc/67/67/32/1147676732.db2.gz BUMWKTKYRKVADN-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@@H](CNCc1ccccc1F)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001367342131 1147680870 /nfs/dbraw/zinc/68/08/70/1147680870.db2.gz CDTPTRMGMBFMAV-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H](C)NCc2cccc(F)c2)c1 ZINC001317263520 1147684040 /nfs/dbraw/zinc/68/40/40/1147684040.db2.gz DBDOXDJYCUKZJI-ZDUSSCGKSA-N 0 3 311.360 2.110 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cc(C)oc1C(F)(F)F ZINC001317273589 1147685174 /nfs/dbraw/zinc/68/51/74/1147685174.db2.gz XSVBNJIAXYFRBR-VIFPVBQESA-N 0 3 302.296 2.338 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C=C1CCC1 ZINC001317387017 1147700753 /nfs/dbraw/zinc/70/07/53/1147700753.db2.gz GEYHMVVCTIFUOP-NSHDSACASA-N 0 3 301.228 2.490 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1nn(C)cc1C ZINC001317422998 1147705068 /nfs/dbraw/zinc/70/50/68/1147705068.db2.gz WVMCBMMXHGPEHG-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001317445422 1147709966 /nfs/dbraw/zinc/70/99/66/1147709966.db2.gz VGVKGGYORYHIIP-LJQANCHMSA-N 0 3 316.445 2.439 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN1CCCCC(F)(F)F ZINC001317494583 1147714980 /nfs/dbraw/zinc/71/49/80/1147714980.db2.gz DZIYFZFYYRLASX-NWDGAFQWSA-N 0 3 305.344 2.459 20 30 DEEDHN C#CCC1(C(=O)NC[C@H]2CCN(CC#CC)C2)CCCCC1 ZINC001317535535 1147721641 /nfs/dbraw/zinc/72/16/41/1147721641.db2.gz JDTMGYYAYWKURG-QGZVFWFLSA-N 0 3 300.446 2.422 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cnoc1-c1ccco1 ZINC001317540336 1147722079 /nfs/dbraw/zinc/72/20/79/1147722079.db2.gz FXJOQXSMKHPHTF-UHFFFAOYSA-N 0 3 315.373 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/nfs/dbraw/zinc/82/87/62/1147828762.db2.gz CPTCLPNOASCARB-QGZVFWFLSA-N 0 3 324.371 2.362 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001324943483 1147860937 /nfs/dbraw/zinc/86/09/37/1147860937.db2.gz IWYSQPCNMQOKMH-KRWDZBQOSA-N 0 3 305.397 2.168 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001324948625 1147861315 /nfs/dbraw/zinc/86/13/15/1147861315.db2.gz TVVFKZYXHJCAIR-OALUTQOASA-N 0 3 320.477 2.457 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2cncs2)CCOCC1 ZINC001325016964 1147867259 /nfs/dbraw/zinc/86/72/59/1147867259.db2.gz UPAWOAHTZTYWEW-UHFFFAOYSA-N 0 3 323.462 2.110 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)CCC2CCCCCC2)C1 ZINC001325114427 1147876943 /nfs/dbraw/zinc/87/69/43/1147876943.db2.gz LXDMRXYNXCUQEE-SFHVURJKSA-N 0 3 308.466 2.476 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H](CC)OC ZINC001325689721 1147984041 /nfs/dbraw/zinc/98/40/41/1147984041.db2.gz NDGAUQUTMYMXMJ-QGZVFWFLSA-N 0 3 302.418 2.053 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1cnc(-c2ccccc2)s1 ZINC001326313697 1148076136 /nfs/dbraw/zinc/07/61/36/1148076136.db2.gz PFZXBYKDLKQJJF-CQSZACIVSA-N 0 3 314.414 2.447 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cnc(C)nc2C)C1 ZINC001326387217 1148090658 /nfs/dbraw/zinc/09/06/58/1148090658.db2.gz NYXYDKZZYUCPHV-CQSZACIVSA-N 0 3 322.840 2.288 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1n[nH]c(C)c1C ZINC001326448895 1148102551 /nfs/dbraw/zinc/10/25/51/1148102551.db2.gz CPYBJAOURWRUBU-UHFFFAOYSA-N 0 3 324.428 2.412 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc(OC)c2C)CCC1 ZINC001326889326 1148282172 /nfs/dbraw/zinc/28/21/72/1148282172.db2.gz DJCBUYUTNDHASL-UHFFFAOYSA-N 0 3 300.402 2.269 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC[C@H](F)CC)CCC1 ZINC001326899238 1148285021 /nfs/dbraw/zinc/28/50/21/1148285021.db2.gz KTKRZIULCFATPB-ILXRZTDVSA-N 0 3 312.429 2.344 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@@H](CNCc2cncs2)C1 ZINC001327033778 1148314099 /nfs/dbraw/zinc/31/40/99/1148314099.db2.gz HFRLGXYCGNQZMC-ZDUSSCGKSA-N 0 3 323.462 2.062 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612141880 361756536 /nfs/dbraw/zinc/75/65/36/361756536.db2.gz XFABBTYJPJLVBT-HLLBOEOZSA-N 0 3 306.454 2.442 20 30 DEEDHN CN(C)C[C@H](NC(=O)NCC1(CC#N)CC1)c1ccc(F)cc1 ZINC000355844040 282131973 /nfs/dbraw/zinc/13/19/73/282131973.db2.gz LSFWHIJSEZIRGS-HNNXBMFYSA-N 0 3 318.396 2.421 20 30 DEEDHN CCc1ccc([C@H](CNC(=O)NCCCC#N)N(C)C)cc1 ZINC000273151605 529723212 /nfs/dbraw/zinc/72/32/12/529723212.db2.gz HWSDBHJYPBLRSC-INIZCTEOSA-N 0 3 302.422 2.455 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272808018 210209138 /nfs/dbraw/zinc/20/91/38/210209138.db2.gz VRTDMHDCZJDRCR-UONOGXRCSA-N 0 3 313.401 2.092 20 30 DEEDHN CN1CCN(c2ncccc2CN[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192747184 529778490 /nfs/dbraw/zinc/77/84/90/529778490.db2.gz GEKHSCNTVADCBW-NVXWUHKLSA-N 0 3 313.449 2.005 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000410595706 529807850 /nfs/dbraw/zinc/80/78/50/529807850.db2.gz 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/nfs/dbraw/zinc/23/32/84/186233284.db2.gz SVFQPMSWOTWQLS-GOSISDBHSA-N 0 3 314.429 2.063 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000268751178 186378077 /nfs/dbraw/zinc/37/80/77/186378077.db2.gz SOQPLBHKDMUJSI-RBUKOAKNSA-N 0 3 308.381 2.183 20 30 DEEDHN N#Cc1ccc(CCN2CCC(Oc3cnccn3)CC2)cc1 ZINC000595483590 358461024 /nfs/dbraw/zinc/46/10/24/358461024.db2.gz WSBBZIFYCQLIAJ-UHFFFAOYSA-N 0 3 308.385 2.434 20 30 DEEDHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000328737220 539910125 /nfs/dbraw/zinc/91/01/25/539910125.db2.gz LQFOYCJQQBQUSS-KKUMJFAQSA-N 0 3 321.465 2.464 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239350 354215448 /nfs/dbraw/zinc/21/54/48/354215448.db2.gz QDGLANMPQZOANT-GDBMZVCRSA-N 0 3 300.406 2.062 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccncc1 ZINC000047010702 354301923 /nfs/dbraw/zinc/30/19/23/354301923.db2.gz ZSZYVCMKSGAYMW-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN CC(C)(C)N1CCCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000063727281 354654682 /nfs/dbraw/zinc/65/46/82/354654682.db2.gz YOGSCNZWMBHPPR-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000066308747 354708059 /nfs/dbraw/zinc/70/80/59/354708059.db2.gz YROBWYQEJTVGMK-RDJZCZTQSA-N 0 3 304.434 2.257 20 30 DEEDHN CC(C)(C)N1CCCN(C(=O)COc2ccccc2C#N)CC1 ZINC000069047600 354845544 /nfs/dbraw/zinc/84/55/44/354845544.db2.gz UPJPSMQWOSNPJA-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN CC(C)N1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000069083920 354847527 /nfs/dbraw/zinc/84/75/27/354847527.db2.gz UJIBXJCKXXHUTJ-UHFFFAOYSA-N 0 3 320.481 2.087 20 30 DEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000333622671 283059201 /nfs/dbraw/zinc/05/92/01/283059201.db2.gz UOIOQOQGUBNQPO-VNHYZAJKSA-N 0 3 308.389 2.322 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000076694274 355162252 /nfs/dbraw/zinc/16/22/52/355162252.db2.gz GDRCOHXULAZEFX-QGZVFWFLSA-N 0 3 312.417 2.057 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000091478937 355598286 /nfs/dbraw/zinc/59/82/86/355598286.db2.gz OLZYVLCPWARCCR-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=CCCC[C@@H](C)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000091594663 355602337 /nfs/dbraw/zinc/60/23/37/355602337.db2.gz OECDXLBWFXHOOS-CABCVRRESA-N 0 3 300.468 2.231 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)cn1 ZINC000119551620 355786969 /nfs/dbraw/zinc/78/69/69/355786969.db2.gz LBQNFMHCNWYWJD-KSSFIOAISA-N 0 3 320.396 2.204 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000126032108 355814271 /nfs/dbraw/zinc/81/42/71/355814271.db2.gz KUAXQTQSGNVJNJ-QGZVFWFLSA-N 0 3 312.417 2.184 20 30 DEEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(C)cs1 ZINC000180505349 356052856 /nfs/dbraw/zinc/05/28/56/356052856.db2.gz SUCMFQWOEFGVEZ-LLVKDONJSA-N 0 3 315.354 2.484 20 30 DEEDHN C[C@H](C#N)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000182294526 356119577 /nfs/dbraw/zinc/11/95/77/356119577.db2.gz VEGNYWKLUPGDTG-ZBFHGGJFSA-N 0 3 300.406 2.282 20 30 DEEDHN CCc1ccc([C@@H](CNC(=O)NC[C@H](C)C#N)N(C)C)cc1 ZINC000182349394 356123199 /nfs/dbraw/zinc/12/31/99/356123199.db2.gz MLBZOFUPWMEUTP-CZUORRHYSA-N 0 3 302.422 2.311 20 30 DEEDHN CCOc1ccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595608881 358500523 /nfs/dbraw/zinc/50/05/23/358500523.db2.gz AVUMJBKBSNFFKT-HZPDHXFCSA-N 0 3 318.417 2.451 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000182663873 356136982 /nfs/dbraw/zinc/13/69/82/356136982.db2.gz HHNSYNSWASCYIV-HOCLYGCPSA-N 0 3 300.406 2.110 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000182861997 356149317 /nfs/dbraw/zinc/14/93/17/356149317.db2.gz QPKFEIWWQBUCGV-HNNXBMFYSA-N 0 3 300.406 2.064 20 30 DEEDHN CCN(CCC(=O)Nc1sccc1C#N)Cc1cnn(C)c1 ZINC000195518653 356255130 /nfs/dbraw/zinc/25/51/30/356255130.db2.gz ZRVNHZKQYGPBKI-UHFFFAOYSA-N 0 3 317.418 2.204 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@H](C)S1 ZINC000226669740 356279387 /nfs/dbraw/zinc/27/93/87/356279387.db2.gz SOHBYQVECDATJT-VNHYZAJKSA-N 0 3 306.431 2.124 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC(F)(F)C2)cc1 ZINC000315284122 356423454 /nfs/dbraw/zinc/42/34/54/356423454.db2.gz WDSMMGNHHVDSPX-LBPRGKRZSA-N 0 3 314.357 2.109 20 30 DEEDHN COc1ccc(CNC[C@H](O)COc2ccccc2C#N)cc1 ZINC000322058189 356451868 /nfs/dbraw/zinc/45/18/68/356451868.db2.gz BZYGNGWZYFGIPU-INIZCTEOSA-N 0 3 312.369 2.096 20 30 DEEDHN N#Cc1ccc(NCC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000332281488 283178048 /nfs/dbraw/zinc/17/80/48/283178048.db2.gz JLFDBLUEIJOBAL-QGZVFWFLSA-N 0 3 312.417 2.057 20 30 DEEDHN CC(C)CSCCCNCc1cnc2c(C#N)cnn2c1 ZINC000579108926 356922315 /nfs/dbraw/zinc/92/23/15/356922315.db2.gz KDJCYMLQXMFMFM-UHFFFAOYSA-N 0 3 303.435 2.470 20 30 DEEDHN C=CCc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc(OC)c1OC ZINC000237246717 202202829 /nfs/dbraw/zinc/20/28/29/202202829.db2.gz RCEOOLAUSFKBKE-OLZOCXBDSA-N 0 3 318.417 2.255 20 30 DEEDHN C[C@H](CNC(=O)Nc1cccc(C#N)n1)N1CCC[C@@H](C)C1 ZINC000579830151 357038240 /nfs/dbraw/zinc/03/82/40/357038240.db2.gz NISLXPWMIMBDQQ-CHWSQXEVSA-N 0 3 301.394 2.195 20 30 DEEDHN CCOC[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000579947147 357056199 /nfs/dbraw/zinc/05/61/99/357056199.db2.gz UWQQMQPNNHCZFU-CQSZACIVSA-N 0 3 301.308 2.044 20 30 DEEDHN C=CCCC[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000581006710 357116848 /nfs/dbraw/zinc/11/68/48/357116848.db2.gz MQRMWENPHDWOPF-CYBMUJFWSA-N 0 3 307.419 2.061 20 30 DEEDHN CCCN(CCN1CCCCC1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000353142131 283250287 /nfs/dbraw/zinc/25/02/87/283250287.db2.gz RLIIMLVGBNUMLS-SFHVURJKSA-N 0 3 322.497 2.239 20 30 DEEDHN CCCN(CCN1CCCCCC1)[C@@H](C)C(=O)N(C)CCC#N ZINC000411739373 283258334 /nfs/dbraw/zinc/25/83/34/283258334.db2.gz WMHDEGJTZCXBIF-KRWDZBQOSA-N 0 3 322.497 2.335 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc(C#N)c1 ZINC000589893121 357503649 /nfs/dbraw/zinc/50/36/49/357503649.db2.gz JWADPKJZELZSPS-KDOFPFPSSA-N 0 3 312.417 2.356 20 30 DEEDHN CCOc1ccnc(N2CCCN(C[C@H](C)CCC#N)CC2)n1 ZINC000590594082 357562843 /nfs/dbraw/zinc/56/28/43/357562843.db2.gz MIKDPLPBFVDZFB-OAHLLOKOSA-N 0 3 317.437 2.327 20 30 DEEDHN C=C[C@H](C(=O)OC)N1CCN(c2ccnc3ccccc32)CC1 ZINC000590959393 357653234 /nfs/dbraw/zinc/65/32/34/357653234.db2.gz UYDYPROXUVUNIJ-MRXNPFEDSA-N 0 3 311.385 2.084 20 30 DEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000591358170 357713503 /nfs/dbraw/zinc/71/35/03/357713503.db2.gz QFXYALFTDYZUSD-WDEREUQCSA-N 0 3 306.797 2.103 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCSc2c(F)cccc21 ZINC000591241232 357694437 /nfs/dbraw/zinc/69/44/37/357694437.db2.gz PJUFQQJKVAEMPT-WFASDCNBSA-N 0 3 323.437 2.159 20 30 DEEDHN C=CCOc1ccc(CN2CCOC3(CNC3)C2)cc1Cl ZINC000663511248 540339867 /nfs/dbraw/zinc/33/98/67/540339867.db2.gz BUEDZOPNKOLEBC-UHFFFAOYSA-N 0 3 308.809 2.079 20 30 DEEDHN CC[C@H](C#N)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000593443865 358079845 /nfs/dbraw/zinc/07/98/45/358079845.db2.gz JZXDXVRSJWYJDQ-OAHLLOKOSA-N 0 3 314.433 2.097 20 30 DEEDHN C=C[C@H](O)C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000666976814 540373603 /nfs/dbraw/zinc/37/36/03/540373603.db2.gz PTTJKGCINKXYCL-PVAVHDDUSA-N 0 3 302.418 2.217 20 30 DEEDHN CC[C@@H](C#N)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000593571312 358104636 /nfs/dbraw/zinc/10/46/36/358104636.db2.gz CYISVDFPTBWALU-YOEHRIQHSA-N 0 3 315.417 2.498 20 30 DEEDHN CCC(C)(C)N1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000594020664 358190734 /nfs/dbraw/zinc/19/07/34/358190734.db2.gz KQORSJWHJPYZBT-QAPCUYQASA-N 0 3 322.497 2.236 20 30 DEEDHN CO[C@@]1(C)C[C@H]1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000594996977 358375811 /nfs/dbraw/zinc/37/58/11/358375811.db2.gz WMULKCOQJBMFDG-WBVHZDCISA-N 0 3 311.389 2.126 20 30 DEEDHN CC(C)N1CCN([C@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1 ZINC000595340424 358425894 /nfs/dbraw/zinc/42/58/94/358425894.db2.gz SWEQAEACFOKFPF-RBUKOAKNSA-N 0 3 312.461 2.352 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1 ZINC000595340429 358426157 /nfs/dbraw/zinc/42/61/57/358426157.db2.gz SWEQAEACFOKFPF-RTBURBONSA-N 0 3 312.461 2.352 20 30 DEEDHN N#Cc1ccc(CNCc2ccccc2CN2CC[C@H](O)C2)o1 ZINC000180995456 199238504 /nfs/dbraw/zinc/23/85/04/199238504.db2.gz ULOHGFZTYIUNGU-INIZCTEOSA-N 0 3 311.385 2.008 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000595786176 358549274 /nfs/dbraw/zinc/54/92/74/358549274.db2.gz LFLOAKHBDKBWMO-NVXWUHKLSA-N 0 3 306.454 2.442 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000595807526 358553074 /nfs/dbraw/zinc/55/30/74/358553074.db2.gz PVXBLKQBQRVMDT-MRXNPFEDSA-N 0 3 300.406 2.184 20 30 DEEDHN CCC[C@@H]1CN(c2nc(C#N)ccc2C)CCN1CCOC ZINC000596176233 358630169 /nfs/dbraw/zinc/63/01/69/358630169.db2.gz BMIJEMKSBDZWLO-MRXNPFEDSA-N 0 3 302.422 2.199 20 30 DEEDHN CS[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1N(C)C ZINC000596181304 358632681 /nfs/dbraw/zinc/63/26/81/358632681.db2.gz ZLWCKDMMDBDUNQ-DTWKUNHWSA-N 0 3 302.856 2.150 20 30 DEEDHN COCCN1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000596930004 358789191 /nfs/dbraw/zinc/78/91/91/358789191.db2.gz DKRZLWBHRSERNQ-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN CN(C)CCOC1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597217748 358858081 /nfs/dbraw/zinc/85/80/81/358858081.db2.gz BXGNNOPFNNVADQ-UHFFFAOYSA-N 0 3 321.465 2.420 20 30 DEEDHN CC(C)OC(=O)C[C@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598604210 359259479 /nfs/dbraw/zinc/25/94/79/359259479.db2.gz KHBRIGWNAMKMKM-HUUCEWRRSA-N 0 3 310.438 2.341 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(-n2ccnc2)c(F)c1 ZINC000598701777 359298517 /nfs/dbraw/zinc/29/85/17/359298517.db2.gz YTINEJVPEQKBRI-CQSZACIVSA-N 0 3 316.380 2.402 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc2c(c1)OCCCO2 ZINC000598721069 359305539 /nfs/dbraw/zinc/30/55/39/359305539.db2.gz RKOMPRZUAOTRRE-AWEZNQCLSA-N 0 3 304.390 2.238 20 30 DEEDHN C[C@@H]1C[C@H](NC[C@H](O)CC(C)(C)C#N)C(=O)N1c1ccccc1 ZINC000598721554 359305867 /nfs/dbraw/zinc/30/58/67/359305867.db2.gz VJXFHVDAUIEXMP-BMFZPTHFSA-N 0 3 315.417 2.071 20 30 DEEDHN N#Cc1ccc(CNCC[C@@H](O)COCc2ccccc2)o1 ZINC000599024231 359386611 /nfs/dbraw/zinc/38/66/11/359386611.db2.gz ZQAOQIVUAADJHV-OAHLLOKOSA-N 0 3 300.358 2.209 20 30 DEEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1cncc(F)c1 ZINC000599360469 359476492 /nfs/dbraw/zinc/47/64/92/359476492.db2.gz APYWEIGCPBTLJO-BLLLJJGKSA-N 0 3 315.348 2.183 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N(C)CCN(C)C2CC2)c(C#N)c1C ZINC000186793494 200012426 /nfs/dbraw/zinc/01/24/26/200012426.db2.gz SGOLATTYQICIPN-LBPRGKRZSA-N 0 3 318.421 2.121 20 30 DEEDHN CC(C)OCCOC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000187119140 200064377 /nfs/dbraw/zinc/06/43/77/200064377.db2.gz IMYVYUYTWPTRDA-MAUKXSAKSA-N 0 3 320.433 2.354 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](OC)c2cccc(OC)c2)CC1 ZINC000668369097 540655347 /nfs/dbraw/zinc/65/53/47/540655347.db2.gz OKNULWKZVLEAOQ-KRWDZBQOSA-N 0 3 318.417 2.149 20 30 DEEDHN CN(CC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)C1CCC1 ZINC000600824916 359838774 /nfs/dbraw/zinc/83/87/74/359838774.db2.gz PPBPXEYBOZTHMR-UHFFFAOYSA-N 0 3 323.400 2.049 20 30 DEEDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc(C#N)s2)C1 ZINC000281138918 216105315 /nfs/dbraw/zinc/10/53/15/216105315.db2.gz DPGBWXWMGIRXPP-INIZCTEOSA-N 0 3 322.430 2.411 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000601164734 359949734 /nfs/dbraw/zinc/94/97/34/359949734.db2.gz UPKVTTFOSOZDFU-GFCCVEGCSA-N 0 3 318.398 2.448 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000668544099 540684129 /nfs/dbraw/zinc/68/41/29/540684129.db2.gz ZYZAJQWZJXDFQC-RDJZCZTQSA-N 0 3 300.402 2.352 20 30 DEEDHN Cc1cccc(CN2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000601241110 359977904 /nfs/dbraw/zinc/97/79/04/359977904.db2.gz XZJDFOFAQMIATR-MRXNPFEDSA-N 0 3 308.385 2.199 20 30 DEEDHN CC[C@@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000601819103 360161838 /nfs/dbraw/zinc/16/18/38/360161838.db2.gz SLONXPBDDOJSIS-SJLPKXTDSA-N 0 3 311.385 2.004 20 30 DEEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1CC1CCSCC1 ZINC000602483169 360401136 /nfs/dbraw/zinc/40/11/36/360401136.db2.gz HPCXUOJNLTZMNY-CYBMUJFWSA-N 0 3 317.462 2.002 20 30 DEEDHN N#Cc1cccc(CNCCCc2ccc3c(c2)OCCO3)n1 ZINC000602568381 360437463 /nfs/dbraw/zinc/43/74/63/360437463.db2.gz MJLGJZGSSBLVLN-UHFFFAOYSA-N 0 3 309.369 2.447 20 30 DEEDHN N#Cc1cccc(CNCC2(N3CCOCC3)CCCCC2)n1 ZINC000602503198 360407724 /nfs/dbraw/zinc/40/77/24/360407724.db2.gz OOMXNQIHCOBGAC-UHFFFAOYSA-N 0 3 314.433 2.078 20 30 DEEDHN CN(C)CCOc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602517357 360414111 /nfs/dbraw/zinc/41/41/11/360414111.db2.gz ZIPRFJAQWMOXPV-UHFFFAOYSA-N 0 3 310.401 2.183 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000602529102 360418885 /nfs/dbraw/zinc/41/88/85/360418885.db2.gz DTXZEMLHPMIAMH-INIZCTEOSA-N 0 3 319.380 2.217 20 30 DEEDHN CC[C@@](C)(CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602632413 360467668 /nfs/dbraw/zinc/46/76/68/360467668.db2.gz SZEUNBJTFVJYDB-WMZOPIPTSA-N 0 3 315.417 2.064 20 30 DEEDHN CC(C)(C#N)CCN(CCN1CCOCC1)[C@H]1CCSC1 ZINC000602889339 360611137 /nfs/dbraw/zinc/61/11/37/360611137.db2.gz DQWLPHXCJXQFFV-HNNXBMFYSA-N 0 3 311.495 2.066 20 30 DEEDHN N#C[C@@H]1CC[C@H](NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000442708856 238066484 /nfs/dbraw/zinc/06/64/84/238066484.db2.gz LWGJDECNGPLPER-CVEARBPZSA-N 0 3 306.431 2.273 20 30 DEEDHN COC(=O)[C@@]1(C)CN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000602926207 360628418 /nfs/dbraw/zinc/62/84/18/360628418.db2.gz GNQJUNPXGQZYGB-GUYCJALGSA-N 0 3 302.374 2.068 20 30 DEEDHN N#C[C@H]1CC[C@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000442836363 238084069 /nfs/dbraw/zinc/08/40/69/238084069.db2.gz HABMVBVFOHEIMS-GJZGRUSLSA-N 0 3 319.430 2.008 20 30 DEEDHN N#Cc1ccsc1C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603084895 360694063 /nfs/dbraw/zinc/69/40/63/360694063.db2.gz YCVDHFLMBSTKOU-UHFFFAOYSA-N 0 3 312.398 2.367 20 30 DEEDHN CCN1CCN(c2ccc(C#N)cc2COCCOC)C[C@@H]1C ZINC000603325299 360792897 /nfs/dbraw/zinc/79/28/97/360792897.db2.gz IYXDYCOHYARREC-HNNXBMFYSA-N 0 3 317.433 2.252 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1C#N ZINC000603377408 360810896 /nfs/dbraw/zinc/81/08/96/360810896.db2.gz UTBBMOHLRJEIIF-NEPJUHHUSA-N 0 3 315.377 2.112 20 30 DEEDHN COCCOCc1cc(C#N)ccc1NCC1(N(C)C)CC1 ZINC000603396584 360815807 /nfs/dbraw/zinc/81/58/07/360815807.db2.gz AMWNYBYLMREYEW-UHFFFAOYSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C3CCOCC3)C2)CC1 ZINC000669762110 540887383 /nfs/dbraw/zinc/88/73/83/540887383.db2.gz NFVWJOKCYYYYNN-UHFFFAOYSA-N 0 3 321.465 2.095 20 30 DEEDHN C=C(C)Cn1c(COC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000670230821 540922465 /nfs/dbraw/zinc/92/24/65/540922465.db2.gz UHGZYUWLCGFBQD-OAHLLOKOSA-N 0 3 319.453 2.065 20 30 DEEDHN C[C@@H]1CCCC[C@H]1OCCNCc1cnc2c(C#N)cnn2c1 ZINC000609006682 361276199 /nfs/dbraw/zinc/27/61/99/361276199.db2.gz QGWCQEPVJVDXJY-CZUORRHYSA-N 0 3 313.405 2.286 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000672454292 541044869 /nfs/dbraw/zinc/04/48/69/541044869.db2.gz AVUSGWQDFQXJSO-HNNXBMFYSA-N 0 3 303.406 2.145 20 30 DEEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609589923 361324745 /nfs/dbraw/zinc/32/47/45/361324745.db2.gz UMOPXERWAOLHFO-ZDUSSCGKSA-N 0 3 324.222 2.472 20 30 DEEDHN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C(C)C#N)CC1 ZINC000609921938 361349759 /nfs/dbraw/zinc/34/97/59/361349759.db2.gz YRIFWKSNQQTJCQ-BBRMVZONSA-N 0 3 305.422 2.176 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000609833222 361341676 /nfs/dbraw/zinc/34/16/76/361341676.db2.gz CCDMRMDGSPGRMC-GDBMZVCRSA-N 0 3 315.417 2.316 20 30 DEEDHN CCN1CCC(NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000610400211 361394036 /nfs/dbraw/zinc/39/40/36/361394036.db2.gz ZVPSOYXPCPTPRR-CYBMUJFWSA-N 0 3 300.406 2.403 20 30 DEEDHN N#Cc1nc(N2CCCN(C[C@H]3CCCO3)CC2)ccc1Cl ZINC000610514658 361413585 /nfs/dbraw/zinc/41/35/85/361413585.db2.gz WTFIKKCUVMNXPY-CYBMUJFWSA-N 0 3 320.824 2.298 20 30 DEEDHN COc1ccc(OC)c([C@H](C)NC2CCN(CC#N)CC2)c1 ZINC000610812620 361471603 /nfs/dbraw/zinc/47/16/03/361471603.db2.gz DTNYRPUMAAXTHP-ZDUSSCGKSA-N 0 3 303.406 2.342 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000610714682 361450561 /nfs/dbraw/zinc/45/05/61/361450561.db2.gz XFQVHIMOWGIUTF-XJKSGUPXSA-N 0 3 322.412 2.377 20 30 DEEDHN COCCN(CCC#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000610987943 361505899 /nfs/dbraw/zinc/50/58/99/361505899.db2.gz VRDKZWOFICKTQC-UHFFFAOYSA-N 0 3 315.417 2.285 20 30 DEEDHN COc1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000611209225 361550442 /nfs/dbraw/zinc/55/04/42/361550442.db2.gz PPLSTSNTOXJNBQ-UHFFFAOYSA-N 0 3 324.384 2.422 20 30 DEEDHN Cn1cc(CN2CCc3cn[nH]c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000611518856 361621368 /nfs/dbraw/zinc/62/13/68/361621368.db2.gz ZRXPVHIWCSFNPG-UHFFFAOYSA-N 0 3 318.384 2.240 20 30 DEEDHN CCN1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000611518501 361621525 /nfs/dbraw/zinc/62/15/25/361621525.db2.gz IOZYEUFMOZUSSR-HNNXBMFYSA-N 0 3 323.444 2.485 20 30 DEEDHN COc1cc(CNC[C@]2(O)CCc3ccccc32)ccc1C#N ZINC000281581967 216399383 /nfs/dbraw/zinc/39/93/83/216399383.db2.gz DIIIMTFCAZDCNK-LJQANCHMSA-N 0 3 308.381 2.490 20 30 DEEDHN C=C[C@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)C(=O)OC ZINC000619703559 363861090 /nfs/dbraw/zinc/86/10/90/363861090.db2.gz NBHXBDVNZVQKFZ-DLBZAZTESA-N 0 3 302.418 2.214 20 30 DEEDHN Cn1ccnc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271809660 209235319 /nfs/dbraw/zinc/23/53/19/209235319.db2.gz AJIDGSJIYCZZPP-UHFFFAOYSA-N 0 3 309.417 2.046 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](O)c2cccc(F)c2)CC1 ZINC000091442755 193055605 /nfs/dbraw/zinc/05/56/05/193055605.db2.gz SJJGQIDVVNVPSM-KRWDZBQOSA-N 0 3 320.408 2.406 20 30 DEEDHN Cc1cc(NC(=O)CCNC2(c3cccc(C#N)c3)CC2)no1 ZINC000271775293 209205173 /nfs/dbraw/zinc/20/51/73/209205173.db2.gz KNQCVXPDYJTNHM-UHFFFAOYSA-N 0 3 310.357 2.462 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451494046 243028888 /nfs/dbraw/zinc/02/88/88/243028888.db2.gz HTRRHOQDCHOUNQ-QLFBSQMISA-N 0 3 309.454 2.176 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000451499025 243035556 /nfs/dbraw/zinc/03/55/56/243035556.db2.gz YERLPKLQONZSSG-USXIJHARSA-N 0 3 311.385 2.044 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn(C)nc2C(C)(C)C)CC1 ZINC000092243485 193179106 /nfs/dbraw/zinc/17/91/06/193179106.db2.gz AFQUCQJTLOKUQC-UHFFFAOYSA-N 0 3 318.465 2.488 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000451596653 243173694 /nfs/dbraw/zinc/17/36/94/243173694.db2.gz GMYNEVHUIHAJDV-LBEHMCEESA-N 0 3 300.402 2.286 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000451675191 243290225 /nfs/dbraw/zinc/29/02/25/243290225.db2.gz OZVWAZHPIFOKIL-TUVASFSCSA-N 0 3 306.406 2.416 20 30 DEEDHN C=CCOc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000678237971 541696800 /nfs/dbraw/zinc/69/68/00/541696800.db2.gz NNIXCPXEDPPIPS-MOPGFXCFSA-N 0 3 316.445 2.282 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@@H]1N1CCCC1 ZINC000275136610 212143699 /nfs/dbraw/zinc/14/36/99/212143699.db2.gz PGLJQDYAQQDYRL-GXTWGEPZSA-N 0 3 321.471 2.272 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C/c1cnccn1)C(C)C ZINC000264939305 204285771 /nfs/dbraw/zinc/28/57/71/204285771.db2.gz VIMKQVNXVMLXKE-OZSKJFCKSA-N 0 3 314.433 2.305 20 30 DEEDHN C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1 ZINC000288243952 220039596 /nfs/dbraw/zinc/03/95/96/220039596.db2.gz OLZOXKYENVLLQR-XJKSGUPXSA-N 0 3 308.385 2.279 20 30 DEEDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cccc(C#N)c1)CC2 ZINC000265944705 204987189 /nfs/dbraw/zinc/98/71/89/204987189.db2.gz GKNFCLWMFAKDLO-DLBZAZTESA-N 0 3 300.402 2.310 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000266232052 205202559 /nfs/dbraw/zinc/20/25/59/205202559.db2.gz CFFFZSOZOWXMOO-KRWDZBQOSA-N 0 3 304.434 2.258 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCC#N)C1 ZINC000454772850 246140583 /nfs/dbraw/zinc/14/05/83/246140583.db2.gz DADWGBGVMYLUNE-INIZCTEOSA-N 0 3 314.433 2.454 20 30 DEEDHN N#Cc1ccc(CN2CCN(CCCCCCO)CC2)cc1 ZINC000267554392 206141286 /nfs/dbraw/zinc/14/12/86/206141286.db2.gz YUZYWTVKAITHJP-UHFFFAOYSA-N 0 3 301.434 2.229 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455772922 246776916 /nfs/dbraw/zinc/77/69/16/246776916.db2.gz BCAQXSSNSWLKLC-UHFFFAOYSA-N 0 3 319.796 2.379 20 30 DEEDHN C=CCC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)C(=O)OCC ZINC000456621204 247318093 /nfs/dbraw/zinc/31/80/93/247318093.db2.gz DUYSXHWIURVBPW-MRXNPFEDSA-N 0 3 318.417 2.376 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000680909966 542065038 /nfs/dbraw/zinc/06/50/38/542065038.db2.gz CORNLYIKKSSUPC-DOTOQJQBSA-N 0 3 302.418 2.216 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000458328140 248264638 /nfs/dbraw/zinc/26/46/38/248264638.db2.gz XMMNJQKJAYSEBK-HZPDHXFCSA-N 0 3 321.465 2.284 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000041519088 183196786 /nfs/dbraw/zinc/19/67/86/183196786.db2.gz MUPGTZKDHVLQPK-SNVBAGLBSA-N 0 3 313.338 2.273 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000046043419 183545904 /nfs/dbraw/zinc/54/59/04/183545904.db2.gz NAZSZQORRHVLLQ-UHFFFAOYSA-N 0 3 312.417 2.328 20 30 DEEDHN C[C@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000105153972 194078846 /nfs/dbraw/zinc/07/88/46/194078846.db2.gz MSEZNHWVJNEEOI-BBRMVZONSA-N 0 3 300.406 2.355 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cn2nc(C)c(Cl)c2C)CC1 ZINC000106035993 194180605 /nfs/dbraw/zinc/18/06/05/194180605.db2.gz ZQPDGHWLLPWJNJ-UHFFFAOYSA-N 0 3 324.856 2.310 20 30 DEEDHN N#CC(C(=O)c1cnc2n[nH]nc2c1)c1ccc2ccccc2n1 ZINC000682128115 542267808 /nfs/dbraw/zinc/26/78/08/542267808.db2.gz UOICARDDWNSKKX-LBPRGKRZSA-N 0 3 314.308 2.391 20 30 DEEDHN C=CCCc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000273731499 211012334 /nfs/dbraw/zinc/01/23/34/211012334.db2.gz AYHXFIXENWDWEX-UHFFFAOYSA-N 0 3 313.405 2.392 20 30 DEEDHN N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000269080514 207227335 /nfs/dbraw/zinc/22/73/35/207227335.db2.gz FGMPHUORMFRKDU-QZTJIDSGSA-N 0 3 322.412 2.248 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000118270727 194882192 /nfs/dbraw/zinc/88/21/92/194882192.db2.gz WVUGMEPAMNUZKW-IAGOWNOFSA-N 0 3 320.477 2.289 20 30 DEEDHN CN1C[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000539801990 285091974 /nfs/dbraw/zinc/09/19/74/285091974.db2.gz FHHLPPLNNUYMFR-MOPGFXCFSA-N 0 3 319.408 2.315 20 30 DEEDHN COc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1C#N ZINC000288680362 220343638 /nfs/dbraw/zinc/34/36/38/220343638.db2.gz XBLQWWYBFVGCNV-CRAIPNDOSA-N 0 3 310.353 2.151 20 30 DEEDHN CC(C#N)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000347108131 533113819 /nfs/dbraw/zinc/11/38/19/533113819.db2.gz OCEPSQVNJOZTJO-LBPRGKRZSA-N 0 3 322.430 2.034 20 30 DEEDHN C[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCC1(F)F ZINC000289684469 221152846 /nfs/dbraw/zinc/15/28/46/221152846.db2.gz GOXLZUHUWQIIIP-JSGCOSHPSA-N 0 3 310.344 2.275 20 30 DEEDHN C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000289989935 221364143 /nfs/dbraw/zinc/36/41/43/221364143.db2.gz REJYHOTUFMZIAN-VNHYZAJKSA-N 0 3 321.446 2.141 20 30 DEEDHN COc1ccc(CN(C)C(C)(C)CN2CCOCC2)cc1C#N ZINC000412093656 533535473 /nfs/dbraw/zinc/53/54/73/533535473.db2.gz JRMAMSPAOZNSGR-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CCN1C ZINC000330887960 533603495 /nfs/dbraw/zinc/60/34/95/533603495.db2.gz AJKCYXAKPODVCK-CJNGLKHVSA-N 0 3 317.458 2.390 20 30 DEEDHN C[C@H](NC(=O)NCC#Cc1cccc(F)c1)C1=CCN(C)CC1 ZINC000338062783 533627455 /nfs/dbraw/zinc/62/74/55/533627455.db2.gz SRPSWEIPSBXFNJ-AWEZNQCLSA-N 0 3 315.392 2.127 20 30 DEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc([S@@](C)=O)cc1 ZINC000359704436 133140339 /nfs/dbraw/zinc/14/03/39/133140339.db2.gz FTOCSVQFVHDGJT-XUSGNXJCSA-N 0 3 301.415 2.485 20 30 DEEDHN Cc1nc(N[C@H](C)CCN2CCN(C)CC2)c(Cl)cc1C#N ZINC000360067175 133160365 /nfs/dbraw/zinc/16/03/65/133160365.db2.gz VDWSRTXSBYCCPG-GFCCVEGCSA-N 0 3 321.856 2.353 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(c2cn[nH]c2)CC1 ZINC000377533000 133332987 /nfs/dbraw/zinc/33/29/87/133332987.db2.gz DKIGULKVZOHZCE-UHFFFAOYSA-N 0 3 323.400 2.490 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)cc1Cl ZINC000372805766 133366471 /nfs/dbraw/zinc/36/64/71/133366471.db2.gz HRCMYZHDKZIEOH-ZBFHGGJFSA-N 0 3 319.792 2.307 20 30 DEEDHN Cc1n[nH]c([C@H]2CCN(Cc3cn4ccccc4c3C#N)C2)n1 ZINC000563871063 292077453 /nfs/dbraw/zinc/07/74/53/292077453.db2.gz VKJPUDNOUGSNML-ZDUSSCGKSA-N 0 3 306.373 2.227 20 30 DEEDHN Cc1nc([C@H]2CCN(Cc3cn4ccccc4c3C#N)C2)n[nH]1 ZINC000563871063 292077454 /nfs/dbraw/zinc/07/74/54/292077454.db2.gz VKJPUDNOUGSNML-ZDUSSCGKSA-N 0 3 306.373 2.227 20 30 DEEDHN Cc1nnc([C@H]2CCN(Cc3cn4ccccc4c3C#N)C2)[nH]1 ZINC000563871063 292077455 /nfs/dbraw/zinc/07/74/55/292077455.db2.gz VKJPUDNOUGSNML-ZDUSSCGKSA-N 0 3 306.373 2.227 20 30 DEEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C#N)cn2)C1 ZINC000564129089 292086766 /nfs/dbraw/zinc/08/67/66/292086766.db2.gz ILWUVMHAKRVOCF-KRWDZBQOSA-N 0 3 301.390 2.364 20 30 DEEDHN CC[C@]1(CO)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000187594470 145000826 /nfs/dbraw/zinc/00/08/26/145000826.db2.gz JSBAHQKSUDWSEJ-INIZCTEOSA-N 0 3 321.446 2.433 20 30 DEEDHN Cn1cc(CNCc2ccccc2Cn2cccn2)cc1C#N ZINC000190713082 145047215 /nfs/dbraw/zinc/04/72/15/145047215.db2.gz DYALCPXABDDSPY-UHFFFAOYSA-N 0 3 305.385 2.431 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193860526 145090748 /nfs/dbraw/zinc/09/07/48/145090748.db2.gz GLWXCZBNWBTZRN-HNNXBMFYSA-N 0 3 323.400 2.490 20 30 DEEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000374412002 148243460 /nfs/dbraw/zinc/24/34/60/148243460.db2.gz OXMMLAPZDVQNFP-CVEARBPZSA-N 0 3 324.384 2.467 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC([C@H](C)O)CC1 ZINC000111695801 401721479 /nfs/dbraw/zinc/72/14/79/401721479.db2.gz JEBLPQWQJJBHBM-MAUKXSAKSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000127199437 401724197 /nfs/dbraw/zinc/72/41/97/401724197.db2.gz HYJDDOHNIZAZLO-ZDUSSCGKSA-N 0 3 318.417 2.473 20 30 DEEDHN COCCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000127289144 401727608 /nfs/dbraw/zinc/72/76/08/401727608.db2.gz DEFVBJRXTRKEHN-ISXOHVOVSA-N 0 3 309.454 2.274 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](OC)C(C)(C)C)CC1 ZINC000074130196 401731133 /nfs/dbraw/zinc/73/11/33/401731133.db2.gz HKUJXTOYYPJEFG-OAHLLOKOSA-N 0 3 311.470 2.387 20 30 DEEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000127639216 401743542 /nfs/dbraw/zinc/74/35/42/401743542.db2.gz SWHJKHPFRWBLOW-ZDUSSCGKSA-N 0 3 324.222 2.472 20 30 DEEDHN C=CC1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000111260322 401705163 /nfs/dbraw/zinc/70/51/63/401705163.db2.gz GMVWXSQDTLLPQO-AWEZNQCLSA-N 0 3 315.417 2.299 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)O[C@@H](C)C2)CC1 ZINC000111495945 401717122 /nfs/dbraw/zinc/71/71/22/401717122.db2.gz SXIZSXGIPKBBHH-GOEBONIOSA-N 0 3 309.454 2.236 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CN1C1CC1 ZINC000127928458 401756331 /nfs/dbraw/zinc/75/63/31/401756331.db2.gz JLCTXQMACLYMFF-BBRMVZONSA-N 0 3 312.417 2.325 20 30 DEEDHN C=C[C@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000128214203 401767095 /nfs/dbraw/zinc/76/70/95/401767095.db2.gz DLGSLSOEQARODA-AWEZNQCLSA-N 0 3 317.433 2.017 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000076385604 401793660 /nfs/dbraw/zinc/79/36/60/401793660.db2.gz ARTNRGRFZBVKDK-LSDHHAIUSA-N 0 3 315.417 2.185 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CC(=O)OCC)CC1 ZINC000130399619 401830215 /nfs/dbraw/zinc/83/02/15/401830215.db2.gz GSOWSBANJQWQBO-OAHLLOKOSA-N 0 3 324.465 2.465 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115554070 401831234 /nfs/dbraw/zinc/83/12/34/401831234.db2.gz DCWKUODVNSASFF-OFQRWUPVSA-N 0 3 315.417 2.265 20 30 DEEDHN CN(C)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115727276 401835933 /nfs/dbraw/zinc/83/59/33/401835933.db2.gz UXAWIPUETVZHBX-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ncc(C)s2)CC1 ZINC000078331639 401847402 /nfs/dbraw/zinc/84/74/02/401847402.db2.gz ZGIOUROHOAWWPF-LBPRGKRZSA-N 0 3 308.451 2.462 20 30 DEEDHN CC(C)(O)CN1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135182214 401929618 /nfs/dbraw/zinc/92/96/18/401929618.db2.gz QJEPWYGVWJGMNS-UHFFFAOYSA-N 0 3 315.461 2.376 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000117793413 401885098 /nfs/dbraw/zinc/88/50/98/401885098.db2.gz IKTYYSALRIOOKK-AWEZNQCLSA-N 0 3 303.406 2.006 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cn2)CN1Cc1ccccc1 ZINC000134924916 401920628 /nfs/dbraw/zinc/92/06/28/401920628.db2.gz YQXGBJOGTDXXEC-PBHICJAKSA-N 0 3 320.396 2.346 20 30 DEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1CNCCO1 ZINC000091300604 401995689 /nfs/dbraw/zinc/99/56/89/401995689.db2.gz HBDUOLYJCFGSPR-LLVKDONJSA-N 0 3 314.838 2.295 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](COCCOC)C2)cc1 ZINC000093755073 402019400 /nfs/dbraw/zinc/01/94/00/402019400.db2.gz LMSSFARAKWFOIB-QGZVFWFLSA-N 0 3 303.402 2.184 20 30 DEEDHN C=CCCOCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000122498516 402081627 /nfs/dbraw/zinc/08/16/27/402081627.db2.gz BFVCYMZTFGLLHV-UHFFFAOYSA-N 0 3 311.470 2.343 20 30 DEEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccccc1C#N ZINC000122600454 402085653 /nfs/dbraw/zinc/08/56/53/402085653.db2.gz WSJGKFWIDYZCGE-OAHLLOKOSA-N 0 3 321.446 2.053 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000103454051 402189158 /nfs/dbraw/zinc/18/91/58/402189158.db2.gz VHCMSCQKPMIWIX-LDADJPATSA-N 0 3 303.406 2.081 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)CNc2ccc(C#N)cc2)c1 ZINC000068353412 402195153 /nfs/dbraw/zinc/19/51/53/402195153.db2.gz XBDYXKGFCRBETI-UHFFFAOYSA-N 0 3 322.412 2.348 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000154498827 402215189 /nfs/dbraw/zinc/21/51/89/402215189.db2.gz BOYPSZQMCFFNCA-UHFFFAOYSA-N 0 3 314.404 2.319 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C#N)cn1)C(C)C ZINC000107779946 402240472 /nfs/dbraw/zinc/24/04/72/402240472.db2.gz URCYKHWAGZZBDF-QGZVFWFLSA-N 0 3 312.417 2.382 20 30 DEEDHN C=C(C)CN1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000106245215 402212443 /nfs/dbraw/zinc/21/24/43/402212443.db2.gz POZBOUXBHCRDHE-UHFFFAOYSA-N 0 3 304.390 2.251 20 30 DEEDHN C#CCC(C)(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000185192448 402333070 /nfs/dbraw/zinc/33/30/70/402333070.db2.gz COUIHHZPZYDGTE-UHFFFAOYSA-N 0 3 302.418 2.293 20 30 DEEDHN C=CC[C@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1 ZINC000186546029 402440921 /nfs/dbraw/zinc/44/09/21/402440921.db2.gz RQUSBMMRIPHLNS-SFHVURJKSA-N 0 3 316.445 2.167 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCCS2)cc1 ZINC000163110442 402441865 /nfs/dbraw/zinc/44/18/65/402441865.db2.gz ZEQXZKXJKCYWDI-AWEZNQCLSA-N 0 3 324.471 2.207 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185925698 402389654 /nfs/dbraw/zinc/38/96/54/402389654.db2.gz RFRZGYOXMRQFHU-HZPDHXFCSA-N 0 3 310.486 2.056 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000247220224 402561008 /nfs/dbraw/zinc/56/10/08/402561008.db2.gz CPYDIGVRPQPDNZ-RHSMWYFYSA-N 0 3 300.402 2.111 20 30 DEEDHN N#Cc1cnc2ccccc2c1N1CCN(CCCCCO)CC1 ZINC000171147222 402561865 /nfs/dbraw/zinc/56/18/65/402561865.db2.gz 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/nfs/dbraw/zinc/60/07/29/402600729.db2.gz RXARVRBWJAIJRS-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)OC)cc2)CC1 ZINC000171719485 402614397 /nfs/dbraw/zinc/61/43/97/402614397.db2.gz AGXAKDUDYWOKHJ-UHFFFAOYSA-N 0 3 317.389 2.245 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000171727533 402615640 /nfs/dbraw/zinc/61/56/40/402615640.db2.gz ZUKFSOWTXXIJSX-QGOAFFKASA-N 0 3 301.390 2.047 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000171735772 402616833 /nfs/dbraw/zinc/61/68/33/402616833.db2.gz RJYPUJCXIUHDNH-UHFFFAOYSA-N 0 3 316.380 2.147 20 30 DEEDHN Cn1cc(CNC[C@H](c2ccccc2)N2CCOCC2)cc1C#N ZINC000190719499 402619885 /nfs/dbraw/zinc/61/98/85/402619885.db2.gz GIRKGXDHYYFRGQ-LJQANCHMSA-N 0 3 324.428 2.060 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190863280 402628419 /nfs/dbraw/zinc/62/84/19/402628419.db2.gz UDCABTLUJLDPIG-ILXRZTDVSA-N 0 3 322.474 2.211 20 30 DEEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000566425792 292238582 /nfs/dbraw/zinc/23/85/82/292238582.db2.gz HDOSOSMVVQQKJF-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN CC1CCC(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC1 ZINC000181299651 402640458 /nfs/dbraw/zinc/64/04/58/402640458.db2.gz ZUWXMSZCTXNWBM-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H](C)CN2CCCC2=O)cc1 ZINC000172114534 402640927 /nfs/dbraw/zinc/64/09/27/402640927.db2.gz YWUIVCUNKZROEU-HNNXBMFYSA-N 0 3 300.402 2.189 20 30 DEEDHN C=C(C)CN(C)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000181316822 402641116 /nfs/dbraw/zinc/64/11/16/402641116.db2.gz ZUCOELMSZGDTFM-FUHWJXTLSA-N 0 3 315.461 2.274 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000172120191 402641317 /nfs/dbraw/zinc/64/13/17/402641317.db2.gz KEMBENBVUJUEIN-DYVFJYSZSA-N 0 3 300.402 2.318 20 30 DEEDHN C[C@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000192192564 402716684 /nfs/dbraw/zinc/71/66/84/402716684.db2.gz LATPZXFAMDTEQK-ZFWWWQNUSA-N 0 3 306.431 2.125 20 30 DEEDHN Cn1cc(CNCCOc2ncccc2C(F)(F)F)cc1C#N ZINC000191456591 402671068 /nfs/dbraw/zinc/67/10/68/402671068.db2.gz AQHMFINUANUCRU-UHFFFAOYSA-N 0 3 324.306 2.479 20 30 DEEDHN CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCO1 ZINC000182310307 402680220 /nfs/dbraw/zinc/68/02/20/402680220.db2.gz LOVLMMKCPUYEME-ZIAGYGMSSA-N 0 3 305.378 2.254 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255387878 402685898 /nfs/dbraw/zinc/68/58/98/402685898.db2.gz SPGGBJWUBRZNDS-ARJAWSKDSA-N 0 3 303.381 2.391 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](COC)c2ccco2)CC1 ZINC000175474605 402809618 /nfs/dbraw/zinc/80/96/18/402809618.db2.gz AVIBIKZJVSNXCN-HNNXBMFYSA-N 0 3 321.421 2.307 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000175480310 402810067 /nfs/dbraw/zinc/81/00/67/402810067.db2.gz FWPQILCVMONXRZ-ZDUSSCGKSA-N 0 3 318.396 2.228 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc3onc(CC)c3c2)CC1 ZINC000264473206 402882003 /nfs/dbraw/zinc/88/20/03/402882003.db2.gz JMGMCPQDKSGGQM-UHFFFAOYSA-N 0 3 314.389 2.165 20 30 DEEDHN CC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 ZINC000278886353 402882188 /nfs/dbraw/zinc/88/21/88/402882188.db2.gz YGTOCWBXSRYUCF-IAGOWNOFSA-N 0 3 323.400 2.138 20 30 DEEDHN CC[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C#N)cc1 ZINC000278886358 402882190 /nfs/dbraw/zinc/88/21/90/402882190.db2.gz YGTOCWBXSRYUCF-IRXDYDNUSA-N 0 3 323.400 2.138 20 30 DEEDHN C=C(C)CN1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000264485745 402883206 /nfs/dbraw/zinc/88/32/06/402883206.db2.gz MUKJQCIHPVDSIM-UHFFFAOYSA-N 0 3 301.350 2.314 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2nccs2)cc1 ZINC000279378180 402936520 /nfs/dbraw/zinc/93/65/20/402936520.db2.gz SMNBAZMHRFLJPE-CQSZACIVSA-N 0 3 310.382 2.056 20 30 DEEDHN CCN(Cc1cnn(C)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279472401 402946164 /nfs/dbraw/zinc/94/61/64/402946164.db2.gz HQOVMEOGWQUFIE-KRWDZBQOSA-N 0 3 321.384 2.023 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000279493369 402948761 /nfs/dbraw/zinc/94/87/61/402948761.db2.gz PMNRKPKERLIAQD-GOSISDBHSA-N 0 3 304.434 2.340 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000265941311 402964098 /nfs/dbraw/zinc/96/40/98/402964098.db2.gz HVZFLWFEEMOVLP-JKIFEVAISA-N 0 3 315.417 2.124 20 30 DEEDHN CCOC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000279846302 402964104 /nfs/dbraw/zinc/96/41/04/402964104.db2.gz AOMMHOLBTVNVBT-DLBZAZTESA-N 0 3 313.401 2.418 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@](C)(O)CC1 ZINC000279847226 402964462 /nfs/dbraw/zinc/96/44/62/402964462.db2.gz AXJALWQTRUIAHE-QGZVFWFLSA-N 0 3 304.390 2.183 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)[C@H]2C1 ZINC000272258124 402915332 /nfs/dbraw/zinc/91/53/32/402915332.db2.gz JQESTLOFFSKEQG-CJNGLKHVSA-N 0 3 314.389 2.147 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000279209087 402916498 /nfs/dbraw/zinc/91/64/98/402916498.db2.gz BOGNKMHOFOMISC-SQNIBIBYSA-N 0 3 323.396 2.411 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](CO)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272275818 402917811 /nfs/dbraw/zinc/91/78/11/402917811.db2.gz MANOXNADHJDJSL-OAHLLOKOSA-N 0 3 310.401 2.163 20 30 DEEDHN COC[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272305306 402921219 /nfs/dbraw/zinc/92/12/19/402921219.db2.gz QKXMSGSBJVDWQQ-HNNXBMFYSA-N 0 3 310.401 2.427 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)C[C@H]1N(C)C ZINC000272321185 402923104 /nfs/dbraw/zinc/92/31/04/402923104.db2.gz IKNZZHTXGONVJQ-CABCVRRESA-N 0 3 318.446 2.262 20 30 DEEDHN COC[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272385385 402930320 /nfs/dbraw/zinc/93/03/20/402930320.db2.gz WRKMDDCNKGMULH-WBVHZDCISA-N 0 3 313.401 2.022 20 30 DEEDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279370140 402935948 /nfs/dbraw/zinc/93/59/48/402935948.db2.gz XBVBXASLZGNEDI-XJKSGUPXSA-N 0 3 323.400 2.461 20 30 DEEDHN CC(C)(C#N)CCCN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000266905016 402998936 /nfs/dbraw/zinc/99/89/36/402998936.db2.gz AXWSBHLUSDROIS-UHFFFAOYSA-N 0 3 314.433 2.237 20 30 DEEDHN CCN1CCN(C[C@H](C)CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000267214775 403025498 /nfs/dbraw/zinc/02/54/98/403025498.db2.gz MLZFEAJHMZXCLY-CYBMUJFWSA-N 0 3 321.856 2.292 20 30 DEEDHN C=CCN1CC[C@H](N[C@H](C)c2cccc(-n3cccn3)c2)C1=O ZINC000280953674 403053632 /nfs/dbraw/zinc/05/36/32/403053632.db2.gz GMRRUXGWHOBVIC-PBHICJAKSA-N 0 3 310.401 2.310 20 30 DEEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1nnc2ccccn21 ZINC000281189519 403060330 /nfs/dbraw/zinc/06/03/30/403060330.db2.gz BMPBDYIGXJDZEN-AWEZNQCLSA-N 0 3 313.405 2.480 20 30 DEEDHN CC(C)(C)C[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281684109 403081360 /nfs/dbraw/zinc/08/13/60/403081360.db2.gz UTDCONUFZXPGIE-HOTGVXAUSA-N 0 3 313.401 2.154 20 30 DEEDHN CNC(=O)c1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000268639005 403101716 /nfs/dbraw/zinc/10/17/16/403101716.db2.gz RWFKIBIKKLKXLK-SFHVURJKSA-N 0 3 323.396 2.083 20 30 DEEDHN COc1ccc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1C#N ZINC000269731655 403161735 /nfs/dbraw/zinc/16/17/35/403161735.db2.gz YDVVXICDTMFTQO-CQSZACIVSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1C#N ZINC000269731655 403161738 /nfs/dbraw/zinc/16/17/38/403161738.db2.gz YDVVXICDTMFTQO-CQSZACIVSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1C#N ZINC000269731655 403161740 /nfs/dbraw/zinc/16/17/40/403161740.db2.gz YDVVXICDTMFTQO-CQSZACIVSA-N 0 3 311.389 2.373 20 30 DEEDHN COC(=O)[C@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000276379294 403168885 /nfs/dbraw/zinc/16/88/85/403168885.db2.gz GBFLYNCOACROJD-BBRMVZONSA-N 0 3 302.374 2.220 20 30 DEEDHN O=C(/C=N/OCCN1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000277562305 403231153 /nfs/dbraw/zinc/23/11/53/403231153.db2.gz IWIFYZIMZZTZQQ-FOWTUZBSSA-N 0 3 320.349 2.022 20 30 DEEDHN CCOCC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000277607317 403236278 /nfs/dbraw/zinc/23/62/78/403236278.db2.gz FOUAHPCPEQTRQG-INIZCTEOSA-N 0 3 318.417 2.189 20 30 DEEDHN C[C@H]1C[C@@H](O)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292117208 403296485 /nfs/dbraw/zinc/29/64/85/403296485.db2.gz AABOMCVORRJEQW-FZMZJTMJSA-N 0 3 321.808 2.385 20 30 DEEDHN C[C@H]1CN(CCCNc2nc3c(cc2C#N)CCC3)CCCO1 ZINC000277781422 403256387 /nfs/dbraw/zinc/25/63/87/403256387.db2.gz WRVWXLKOPGKHKD-AWEZNQCLSA-N 0 3 314.433 2.355 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000271081975 403262443 /nfs/dbraw/zinc/26/24/43/403262443.db2.gz YRAOBVXVQIDTRM-HNNXBMFYSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000271081975 403262444 /nfs/dbraw/zinc/26/24/44/403262444.db2.gz YRAOBVXVQIDTRM-HNNXBMFYSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000271081975 403262445 /nfs/dbraw/zinc/26/24/45/403262445.db2.gz YRAOBVXVQIDTRM-HNNXBMFYSA-N 0 3 311.389 2.373 20 30 DEEDHN NC(=NOCCCCF)c1ccccc1CN1CCC(O)CC1 ZINC000285173074 403278954 /nfs/dbraw/zinc/27/89/54/403278954.db2.gz NHWSXLQIOPGVGW-UHFFFAOYSA-N 0 3 323.412 2.030 20 30 DEEDHN CSC[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000331167343 403344024 /nfs/dbraw/zinc/34/40/24/403344024.db2.gz HBSZEFSMJHQWKP-NWDGAFQWSA-N 0 3 315.483 2.279 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C2CCOCC2)C1 ZINC000339134773 403366182 /nfs/dbraw/zinc/36/61/82/403366182.db2.gz KTKHIHAHHPTNBB-RDJZCZTQSA-N 0 3 306.450 2.324 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CC[C@@H](CO)O2)c([O-])c1 ZINC000292314645 403351777 /nfs/dbraw/zinc/35/17/77/403351777.db2.gz LTTZPTSKLGIJNQ-DTEALPLXSA-N 0 3 306.406 2.197 20 30 DEEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ccc(=O)[nH]n1)C(C)C ZINC000285482300 403307991 /nfs/dbraw/zinc/30/79/91/403307991.db2.gz BPRLEARMHKZGKE-GDBMZVCRSA-N 0 3 304.438 2.119 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=CCCCC1 ZINC000330845760 403309937 /nfs/dbraw/zinc/30/99/37/403309937.db2.gz CAKOSDAHZNQKPV-HNNXBMFYSA-N 0 3 307.438 2.386 20 30 DEEDHN Cc1cc(Br)ccc1CNCCn1cnc(C#N)n1 ZINC000285529668 403319291 /nfs/dbraw/zinc/31/92/91/403319291.db2.gz PAIXVQUBNMLFNZ-UHFFFAOYSA-N 0 3 320.194 2.011 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN1C ZINC000331126204 403334219 /nfs/dbraw/zinc/33/42/19/403334219.db2.gz QMGNKENWDUEZGS-ZFWWWQNUSA-N 0 3 315.417 2.315 20 30 DEEDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000285611924 403338803 /nfs/dbraw/zinc/33/88/03/403338803.db2.gz CLLDPZSECRCUET-JKSUJKDBSA-N 0 3 317.458 2.438 20 30 DEEDHN C=CCOc1ccc(CNC(=O)C23CCCN2CCC3)cc1 ZINC000285970463 403421826 /nfs/dbraw/zinc/42/18/26/403421826.db2.gz OQYAXQLFZSFCEW-UHFFFAOYSA-N 0 3 300.402 2.496 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1c[nH]nc1C)C(C)C ZINC000298678940 403438070 /nfs/dbraw/zinc/43/80/70/403438070.db2.gz OQKCISBNAPLKMN-MRXNPFEDSA-N 0 3 319.453 2.216 20 30 DEEDHN CC(C#N)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000343047085 403443128 /nfs/dbraw/zinc/44/31/28/403443128.db2.gz VPKUVXWXWGKIKD-CQSZACIVSA-N 0 3 308.385 2.170 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)c2cccc(CC#N)c2)ccn1 ZINC000343049629 403444316 /nfs/dbraw/zinc/44/43/16/403444316.db2.gz GVDUPLNXSRMNTL-UHFFFAOYSA-N 0 3 324.384 2.340 20 30 DEEDHN C#CCNC(=O)CCN(C)Cc1ccc2cc(OC)ccc2c1 ZINC000293400329 403462128 /nfs/dbraw/zinc/46/21/28/403462128.db2.gz HNAWFQXFNPQVTO-UHFFFAOYSA-N 0 3 310.397 2.420 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1C#N ZINC000299111199 403524057 /nfs/dbraw/zinc/52/40/57/403524057.db2.gz YACVZEWHIHVJAF-QWHCGFSZSA-N 0 3 300.406 2.112 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC2(C)C)cc1 ZINC000286961511 403550694 /nfs/dbraw/zinc/55/06/94/403550694.db2.gz ATUYQELMYMLOQN-GXFFZTMASA-N 0 3 321.402 2.292 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000345825648 403500219 /nfs/dbraw/zinc/50/02/19/403500219.db2.gz YPBGQBBVQNKBAX-GJZGRUSLSA-N 0 3 318.417 2.264 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@H]2C(=O)NC)cc1OC ZINC000345825649 403500298 /nfs/dbraw/zinc/50/02/98/403500298.db2.gz YPBGQBBVQNKBAX-HUUCEWRRSA-N 0 3 318.417 2.264 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)CCc1ccccc1F ZINC000293899315 403593145 /nfs/dbraw/zinc/59/31/45/403593145.db2.gz FCXNNXZYEMFWQQ-HNNXBMFYSA-N 0 3 304.409 2.466 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1nsc2ccc(C)cc21 ZINC000293903428 403595097 /nfs/dbraw/zinc/59/50/97/403595097.db2.gz FKYYMSHOZIBZRP-UHFFFAOYSA-N 0 3 301.415 2.290 20 30 DEEDHN COCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347061831 403613886 /nfs/dbraw/zinc/61/38/86/403613886.db2.gz FLIZQWLULKVLCA-VXGBXAGGSA-N 0 3 306.362 2.057 20 30 DEEDHN CC(C#N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000347080036 403613958 /nfs/dbraw/zinc/61/39/58/403613958.db2.gz WCXNXPXFHUMAEI-GFCCVEGCSA-N 0 3 319.792 2.174 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000347137729 403617595 /nfs/dbraw/zinc/61/75/95/403617595.db2.gz PZSYZUFRPJURRT-AWEZNQCLSA-N 0 3 324.384 2.145 20 30 DEEDHN CC(C)N(CCOCCC#N)C[C@@H](O)COc1ccccc1 ZINC000294014888 403624373 /nfs/dbraw/zinc/62/43/73/403624373.db2.gz GYNKLOPKHBTYBG-MRXNPFEDSA-N 0 3 306.406 2.067 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000294048439 403633482 /nfs/dbraw/zinc/63/34/82/403633482.db2.gz TWVNSCBOHIEIEN-CZUORRHYSA-N 0 3 320.458 2.069 20 30 DEEDHN CCCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC(C)C ZINC000340944956 403708633 /nfs/dbraw/zinc/70/86/33/403708633.db2.gz WZKCXGUBLYEARO-KRWDZBQOSA-N 0 3 322.497 2.047 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347381915 403687704 /nfs/dbraw/zinc/68/77/04/403687704.db2.gz XJZVJBIRPMGNTL-HNNXBMFYSA-N 0 3 315.417 2.393 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000287947467 403697170 /nfs/dbraw/zinc/69/71/70/403697170.db2.gz HCJGMNCBJGTTHL-VYDXJSESSA-N 0 3 314.433 2.450 20 30 DEEDHN N#Cc1ccc([C@H](NCC2Cc3ccccc3C2)C(N)=O)cc1 ZINC000343863107 403765827 /nfs/dbraw/zinc/76/58/27/403765827.db2.gz HOTUDGZDOYXEFA-SFHVURJKSA-N 0 3 305.381 2.089 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCSC2)cc1 ZINC000288201334 403740967 /nfs/dbraw/zinc/74/09/67/403740967.db2.gz CLNFASHFNSXURG-HOTGVXAUSA-N 0 3 313.426 2.500 20 30 DEEDHN CC1(C#N)CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000333398283 403743292 /nfs/dbraw/zinc/74/32/92/403743292.db2.gz DZXLVFBYKCGPHA-HNNXBMFYSA-N 0 3 304.438 2.339 20 30 DEEDHN N#CC(C(=O)c1ccnc(OCC(F)(F)F)c1)c1ccncn1 ZINC000354472568 403822118 /nfs/dbraw/zinc/82/21/18/403822118.db2.gz UPFGBTXTAUVMKR-SNVBAGLBSA-N 0 3 322.246 2.303 20 30 DEEDHN COc1ccc(CN[C@H]2C=C[C@@H](CO)C2)cc1OCCCC#N ZINC000347782071 403865465 /nfs/dbraw/zinc/86/54/65/403865465.db2.gz WLTOSOOFGOLSJK-CVEARBPZSA-N 0 3 316.401 2.404 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCCN1C ZINC000354614900 403907023 /nfs/dbraw/zinc/90/70/23/403907023.db2.gz FXTISGXIRASLRA-WBMJQRKESA-N 0 3 315.392 2.328 20 30 DEEDHN COCCOCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000362002227 403915675 /nfs/dbraw/zinc/91/56/75/403915675.db2.gz HHMAFMPRHCAAAU-OAHLLOKOSA-N 0 3 311.341 2.130 20 30 DEEDHN C#Cc1ccc(CNCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000289342632 403918462 /nfs/dbraw/zinc/91/84/62/403918462.db2.gz WISWIKQUQJCWLK-UHFFFAOYSA-N 0 3 320.440 2.105 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CC[C@H](C)C1 ZINC000362154888 403929906 /nfs/dbraw/zinc/92/99/06/403929906.db2.gz IGQHHOZCVMYSDC-JKSUJKDBSA-N 0 3 321.465 2.466 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)[C@H]2C1 ZINC000347975546 403988960 /nfs/dbraw/zinc/98/89/60/403988960.db2.gz SRQYGYKBRDPVTF-KURKYZTESA-N 0 3 311.429 2.312 20 30 DEEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000289836698 404002520 /nfs/dbraw/zinc/00/25/20/404002520.db2.gz MXIKHNJQYUJYDM-MRXNPFEDSA-N 0 3 314.385 2.306 20 30 DEEDHN CC#CCCCc1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000290080615 404031962 /nfs/dbraw/zinc/03/19/62/404031962.db2.gz LVVOLUZYFKAUPX-UHFFFAOYSA-N 0 3 314.389 2.418 20 30 DEEDHN N#Cc1cc(Br)cnc1N1CC[C@@H](N2CCCC2)C1 ZINC000311566651 403970644 /nfs/dbraw/zinc/97/06/44/403970644.db2.gz ZDODPEBQVWPRPU-CYBMUJFWSA-N 0 3 321.222 2.390 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CN(C)C1CC1 ZINC000290096990 404039227 /nfs/dbraw/zinc/03/92/27/404039227.db2.gz WISTXTWGMFPGEZ-QGZVFWFLSA-N 0 3 304.434 2.138 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990867 404049424 /nfs/dbraw/zinc/04/94/24/404049424.db2.gz SYMGYDLRHVSBFY-RDTXWAMCSA-N 0 3 301.386 2.423 20 30 DEEDHN C[C@@H](c1cnn(C)c1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348420006 404068489 /nfs/dbraw/zinc/06/84/89/404068489.db2.gz ZJOXXDCWSXEUCP-BBRMVZONSA-N 0 3 321.384 2.194 20 30 DEEDHN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000328603007 404112004 /nfs/dbraw/zinc/11/20/04/404112004.db2.gz HJXSUSBNNMWTIO-GXFFZTMASA-N 0 3 317.393 2.171 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000354921263 404103227 /nfs/dbraw/zinc/10/32/27/404103227.db2.gz YTRCFMLLKWXHLE-HKUYNNGSSA-N 0 3 316.445 2.437 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCSc1ccccc1 ZINC000296129694 404106481 /nfs/dbraw/zinc/10/64/81/404106481.db2.gz IDHXKWISXXATMQ-UHFFFAOYSA-N 0 3 305.447 2.033 20 30 DEEDHN COC(=O)[C@@]1(C)CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000412094372 404129146 /nfs/dbraw/zinc/12/91/46/404129146.db2.gz DWROJBQKPNGZJC-KRWDZBQOSA-N 0 3 302.374 2.212 20 30 DEEDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)NCc1cccnc1 ZINC000328699572 404132161 /nfs/dbraw/zinc/13/21/61/404132161.db2.gz MIDVQOIRRQDZGC-ZDUSSCGKSA-N 0 3 302.378 2.169 20 30 DEEDHN C[C@H](CNC(=O)C1CCN(C2CC2)CC1)N1CCCCC1=O ZINC000328749997 404143423 /nfs/dbraw/zinc/14/34/23/404143423.db2.gz MOKZPVVLGUFMOB-CYBMUJFWSA-N 0 3 307.438 2.218 20 30 DEEDHN C[NH+](C)C1(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCCCC1 ZINC000328905214 404171429 /nfs/dbraw/zinc/17/14/29/404171429.db2.gz APVNMEOYJYSOQN-NSHDSACASA-N 0 3 310.398 2.240 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)CCN1C ZINC000328925532 404174193 /nfs/dbraw/zinc/17/41/93/404174193.db2.gz VYVRGAFNZZQKCV-YPMHNXCESA-N 0 3 304.394 2.053 20 30 DEEDHN Cc1ocnc1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000329019831 404203222 /nfs/dbraw/zinc/20/32/22/404203222.db2.gz SCUOETLSHPXGIY-LLVKDONJSA-N 0 3 308.382 2.119 20 30 DEEDHN CN1CCC2(CCCN2C(=O)NCc2ccc(O)cc2)CC1 ZINC000329030665 404207067 /nfs/dbraw/zinc/20/70/67/404207067.db2.gz AXOWLDHWJFDEOE-UHFFFAOYSA-N 0 3 303.406 2.366 20 30 DEEDHN CC[C@](C)(C#N)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000352246992 404243129 /nfs/dbraw/zinc/24/31/29/404243129.db2.gz VERIFXUWKYFHFL-QGZVFWFLSA-N 0 3 321.465 2.466 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1OC ZINC000344597355 404250562 /nfs/dbraw/zinc/25/05/62/404250562.db2.gz IPELBRGTIHBIIQ-UKRRQHHQSA-N 0 3 318.417 2.473 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C ZINC000341941639 404269284 /nfs/dbraw/zinc/26/92/84/404269284.db2.gz MBPXIZKRRHPNDK-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN Cc1cc(NC(=O)NCC(C)(C)C#N)n(C2CCN(C)CC2)n1 ZINC000349950967 404271868 /nfs/dbraw/zinc/27/18/68/404271868.db2.gz KZJPNSIEUKQBIC-UHFFFAOYSA-N 0 3 318.425 2.130 20 30 DEEDHN N#Cc1cnc(NC2CCN([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000364035621 404293298 /nfs/dbraw/zinc/29/32/98/404293298.db2.gz HVGNULZCUQIEMI-CYBMUJFWSA-N 0 3 306.797 2.272 20 30 DEEDHN CC(C)(C)CCN1CCN(C(=O)NCCC2(O)CCC2)CC1 ZINC000329399536 404326313 /nfs/dbraw/zinc/32/63/13/404326313.db2.gz XKPSCZCRJFOBPA-UHFFFAOYSA-N 0 3 311.470 2.259 20 30 DEEDHN CC(C)(C#N)CNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000355606896 404353322 /nfs/dbraw/zinc/35/33/22/404353322.db2.gz YMARHJBCILEDAN-MRXNPFEDSA-N 0 3 314.433 2.357 20 30 DEEDHN CCN1CCC(NC(=O)N2CCCC[C@@H]2c2nc(C)no2)CC1 ZINC000329498050 404356060 /nfs/dbraw/zinc/35/60/60/404356060.db2.gz XRXIWWINUIVXGW-CQSZACIVSA-N 0 3 321.425 2.303 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000329497259 404356730 /nfs/dbraw/zinc/35/67/30/404356730.db2.gz XMUOULBGHWHPAD-OAHLLOKOSA-N 0 3 307.438 2.218 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000296886545 404358530 /nfs/dbraw/zinc/35/85/30/404358530.db2.gz MMIBUAUNXZPDGL-JCNLHEQBSA-N 0 3 317.408 2.326 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000329319706 404301576 /nfs/dbraw/zinc/30/15/76/404301576.db2.gz TWXKXSVCOWKXNR-OCCSQVGLSA-N 0 3 303.410 2.087 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000355248256 404308670 /nfs/dbraw/zinc/30/86/70/404308670.db2.gz ZVGZQMLLNXDYBN-BLLLJJGKSA-N 0 3 320.352 2.219 20 30 DEEDHN C=CCOCCCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000355331068 404325088 /nfs/dbraw/zinc/32/50/88/404325088.db2.gz DUOOOSNTEWRBFJ-KRWDZBQOSA-N 0 3 318.417 2.175 20 30 DEEDHN CCCCN(C)CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000355862512 404373290 /nfs/dbraw/zinc/37/32/90/404373290.db2.gz DNUDOQDCOQHIRH-UHFFFAOYSA-N 0 3 315.483 2.112 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000355939148 404378147 /nfs/dbraw/zinc/37/81/47/404378147.db2.gz JNHSTGKGBXVRBR-CABCVRRESA-N 0 3 306.454 2.442 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000291464979 404389255 /nfs/dbraw/zinc/38/92/55/404389255.db2.gz DKQNXCIQKAPFJQ-GOEBONIOSA-N 0 3 310.825 2.386 20 30 DEEDHN C=CC[C@@H](CO)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000342157323 404409171 /nfs/dbraw/zinc/40/91/71/404409171.db2.gz HATXLCQFWNEJDL-CYBMUJFWSA-N 0 3 316.401 2.409 20 30 DEEDHN C[C@H](C(=O)NCc1nnc2ccccn21)N1CCCCCC1 ZINC000329695063 404425120 /nfs/dbraw/zinc/42/51/20/404425120.db2.gz BEYDRBLRGDZPPU-CYBMUJFWSA-N 0 3 301.394 2.450 20 30 DEEDHN C[C@]1(O)CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000329994354 404520085 /nfs/dbraw/zinc/52/00/85/404520085.db2.gz ZDWATZAOFAAUOE-RDJZCZTQSA-N 0 3 309.454 2.154 20 30 DEEDHN C=CCOc1ccc(CNCCc2ncn(C)n2)cc1Cl ZINC000344900993 404434319 /nfs/dbraw/zinc/43/43/19/404434319.db2.gz HMJGCZZWRBRNNJ-UHFFFAOYSA-N 0 3 306.797 2.366 20 30 DEEDHN Cn1nc2c(c1CNC(=O)[C@@H]1CCn3cncc3C1)CCCC2 ZINC000329747484 404439138 /nfs/dbraw/zinc/43/91/38/404439138.db2.gz SJRPBZBFPQBYSP-GFCCVEGCSA-N 0 3 313.405 2.215 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC[C@@H]2CCCO2)CC1 ZINC000342445431 404581363 /nfs/dbraw/zinc/58/13/63/404581363.db2.gz XBBURWLUKXSQTF-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000330194575 404582625 /nfs/dbraw/zinc/58/26/25/404582625.db2.gz BDIPIFITAQVBNJ-SJKOYZFVSA-N 0 3 320.437 2.337 20 30 DEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000356477837 404547125 /nfs/dbraw/zinc/54/71/25/404547125.db2.gz LCOOERJHQCPDQZ-MRXNPFEDSA-N 0 3 300.406 2.194 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)NC1CCN(c2nccn2C)CC1 ZINC000330084544 404547602 /nfs/dbraw/zinc/54/76/02/404547602.db2.gz LBFLPORUAFJAKX-OAHLLOKOSA-N 0 3 319.453 2.220 20 30 DEEDHN C#CCC1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCCC1 ZINC000365089252 404559899 /nfs/dbraw/zinc/55/98/99/404559899.db2.gz NAKVYGVYUUJATF-QGZVFWFLSA-N 0 3 318.461 2.330 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(n2cccn2)CC1 ZINC000365159972 404563611 /nfs/dbraw/zinc/56/36/11/404563611.db2.gz MJAUIHBOXOMONJ-HNNXBMFYSA-N 0 3 304.438 2.333 20 30 DEEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCOC1 ZINC000330182473 404576108 /nfs/dbraw/zinc/57/61/08/404576108.db2.gz HGJHHWXRXVXBFC-CQSZACIVSA-N 0 3 304.390 2.268 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330241900 404598632 /nfs/dbraw/zinc/59/86/32/404598632.db2.gz JERILXIHVLVIHR-NXOAAHMSSA-N 0 3 321.465 2.465 20 30 DEEDHN CCN1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1 ZINC000330275911 404611827 /nfs/dbraw/zinc/61/18/27/404611827.db2.gz MEJIVTAKYQBKSQ-HOCLYGCPSA-N 0 3 320.437 2.247 20 30 DEEDHN CC[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000330279308 404613203 /nfs/dbraw/zinc/61/32/03/404613203.db2.gz QVRQIZXOPHSVEB-JYJNAYRXSA-N 0 3 312.454 2.241 20 30 DEEDHN C[C@@H]1CSC[C@@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000352800801 404633007 /nfs/dbraw/zinc/63/30/07/404633007.db2.gz PXOMVQKJEQMWHG-HIFRSBDPSA-N 0 3 303.431 2.274 20 30 DEEDHN N#Cc1ccncc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000342608647 404676577 /nfs/dbraw/zinc/67/65/77/404676577.db2.gz PPLKDZCUSWFVBV-QGZVFWFLSA-N 0 3 320.396 2.348 20 30 DEEDHN COc1ccc2cc(CNCCn3cnc(C#N)n3)ccc2c1 ZINC000353038029 404728625 /nfs/dbraw/zinc/72/86/25/404728625.db2.gz LOQLESXZNBHZDM-UHFFFAOYSA-N 0 3 307.357 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cc(C)ccc2OC)CC1 ZINC000357571753 404738097 /nfs/dbraw/zinc/73/80/97/404738097.db2.gz MLHXROAQFPXGDU-UHFFFAOYSA-N 0 3 302.418 2.313 20 30 DEEDHN CN(C)CCOC1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358707413 404772254 /nfs/dbraw/zinc/77/22/54/404772254.db2.gz DDLCGQUHUMFSTF-UHFFFAOYSA-N 0 3 324.469 2.069 20 30 DEEDHN C=CCN(CCOC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358290071 404759237 /nfs/dbraw/zinc/75/92/37/404759237.db2.gz LPTFFEKEKAVOSN-KRWDZBQOSA-N 0 3 317.433 2.105 20 30 DEEDHN CC(C)N1CCN([C@@H]2CCN(Cc3cccc(C#N)c3)C2)CC1 ZINC000375908869 404769757 /nfs/dbraw/zinc/76/97/57/404769757.db2.gz ZJIARPVVUZVMKH-LJQANCHMSA-N 0 3 312.461 2.159 20 30 DEEDHN N#Cc1ncn(CCNCc2cccc(-c3ccncc3)c2)n1 ZINC000353016031 404721550 /nfs/dbraw/zinc/72/15/50/404721550.db2.gz IGTUTAHCUQLANK-UHFFFAOYSA-N 0 3 304.357 2.002 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1Cc1ccccc1C ZINC000358943821 404779686 /nfs/dbraw/zinc/77/96/86/404779686.db2.gz BASLJOJGIVIXGC-MRXNPFEDSA-N 0 3 315.417 2.014 20 30 DEEDHN CO[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000366339515 404786792 /nfs/dbraw/zinc/78/67/92/404786792.db2.gz LDHMLOCHFZNYLV-IAGOWNOFSA-N 0 3 311.385 2.268 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000360077384 404816594 /nfs/dbraw/zinc/81/65/94/404816594.db2.gz YTPFUTHPLJVUTO-HZPDHXFCSA-N 0 3 300.406 2.240 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@H](C)NC(C)=O)CC1 ZINC000360613699 404832629 /nfs/dbraw/zinc/83/26/29/404832629.db2.gz POCQEGAZEYLEET-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000416680047 404877439 /nfs/dbraw/zinc/87/74/39/404877439.db2.gz GVEZYHMNIZGEHR-QGZVFWFLSA-N 0 3 312.417 2.329 20 30 DEEDHN N#CCC1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000366773031 404845792 /nfs/dbraw/zinc/84/57/92/404845792.db2.gz SWMOCDGFGUZKBV-OAHLLOKOSA-N 0 3 304.438 2.340 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435347880 404972112 /nfs/dbraw/zinc/97/21/12/404972112.db2.gz PDGDJUMMKQPSTR-GUYCJALGSA-N 0 3 309.413 2.189 20 30 DEEDHN N#C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccccc1F ZINC000353693044 404923661 /nfs/dbraw/zinc/92/36/61/404923661.db2.gz VDXCIXGXICVCLJ-CVEARBPZSA-N 0 3 301.365 2.381 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000415809694 404948654 /nfs/dbraw/zinc/94/86/54/404948654.db2.gz UTDUDDJYTBKIFA-RISCZKNCSA-N 0 3 302.378 2.101 20 30 DEEDHN CCCC(=O)Nc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424096567 405004090 /nfs/dbraw/zinc/00/40/90/405004090.db2.gz YHONJOIVTNHRRT-HNNXBMFYSA-N 0 3 316.405 2.063 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(Br)s1 ZINC000424100625 405006208 /nfs/dbraw/zinc/00/62/08/405006208.db2.gz XGYACNSMHCMUMK-VIFPVBQESA-N 0 3 316.224 2.148 20 30 DEEDHN COC1([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000416026298 405009857 /nfs/dbraw/zinc/00/98/57/405009857.db2.gz JHLSKDSDZJYRFO-CZUORRHYSA-N 0 3 311.385 2.314 20 30 DEEDHN CCN(CC)[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccsc1 ZINC000424126950 405015295 /nfs/dbraw/zinc/01/52/95/405015295.db2.gz CIVQDZWMSRDSFM-GJZGRUSLSA-N 0 3 322.478 2.268 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000424133729 405016900 /nfs/dbraw/zinc/01/69/00/405016900.db2.gz ZVZSMTJWYBLWAS-IAGOWNOFSA-N 0 3 315.417 2.073 20 30 DEEDHN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424143605 405021381 /nfs/dbraw/zinc/02/13/81/405021381.db2.gz WMWZYSBJOCVSSM-BONVTDFDSA-N 0 3 307.344 2.432 20 30 DEEDHN CCC[C@@]1(CO)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000367361126 405023981 /nfs/dbraw/zinc/02/39/81/405023981.db2.gz MTXJXUWWCMNOFE-MRXNPFEDSA-N 0 3 321.446 2.433 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000435441459 404982262 /nfs/dbraw/zinc/98/22/62/404982262.db2.gz FTWAHROACFFVSL-QGZVFWFLSA-N 0 3 322.474 2.393 20 30 DEEDHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H](N)CCCC#N ZINC000424066436 404992763 /nfs/dbraw/zinc/99/27/63/404992763.db2.gz NHEUGIIAGCUSAT-AWEZNQCLSA-N 0 3 319.405 2.073 20 30 DEEDHN COc1cc(OC)c(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424077055 404996650 /nfs/dbraw/zinc/99/66/50/404996650.db2.gz NFNSYLIEVVGHQI-JTQLQIEISA-N 0 3 311.769 2.317 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(OC(F)F)c1 ZINC000424083860 405000045 /nfs/dbraw/zinc/00/00/45/405000045.db2.gz BJSHWKHEPRQHRZ-GWCFXTLKSA-N 0 3 311.332 2.486 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000367603991 405100267 /nfs/dbraw/zinc/10/02/67/405100267.db2.gz QGNXWFRCQQEATO-INIZCTEOSA-N 0 3 307.438 2.078 20 30 DEEDHN CCc1ccccc1[C@H](N)CNC(=O)N1CCC(F)(C#N)CC1 ZINC000418643566 405145960 /nfs/dbraw/zinc/14/59/60/405145960.db2.gz BHMBZCIWWDLSDB-OAHLLOKOSA-N 0 3 318.396 2.286 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(CC[C@H]2CCOC2)CC1 ZINC000437596307 405208730 /nfs/dbraw/zinc/20/87/30/405208730.db2.gz WSFZXNDPNWANBM-AWEZNQCLSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000452934817 405261738 /nfs/dbraw/zinc/26/17/38/405261738.db2.gz WLAJPXWIJZJHMB-MSOLQXFVSA-N 0 3 314.429 2.358 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425056027 405237815 /nfs/dbraw/zinc/23/78/15/405237815.db2.gz JFINLMADRDDBSO-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN COC[C@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000445803653 405357327 /nfs/dbraw/zinc/35/73/27/405357327.db2.gz UEXBFUHDZMPOGD-OAHLLOKOSA-N 0 3 317.433 2.121 20 30 DEEDHN COC[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000445813296 405357366 /nfs/dbraw/zinc/35/73/66/405357366.db2.gz GPWGHKJYWBWMHR-HNNXBMFYSA-N 0 3 317.433 2.121 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(C)cn2)CC1 ZINC000454469060 405349888 /nfs/dbraw/zinc/34/98/88/405349888.db2.gz UKOMPBRPWSGGGX-UHFFFAOYSA-N 0 3 316.449 2.272 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454478577 405351781 /nfs/dbraw/zinc/35/17/81/405351781.db2.gz FFDVBUNJIHQFNO-HNNXBMFYSA-N 0 3 318.396 2.371 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425546981 405301564 /nfs/dbraw/zinc/30/15/64/405301564.db2.gz FFOQDAQRKHYRGV-XHSDSOJGSA-N 0 3 306.454 2.488 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](OC)C2(C)C)CC1 ZINC000440151239 405303898 /nfs/dbraw/zinc/30/38/98/405303898.db2.gz AQOMGDYTEJFHBJ-GJZGRUSLSA-N 0 3 309.454 2.140 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000446600737 405386433 /nfs/dbraw/zinc/38/64/33/405386433.db2.gz SCCNNXOBYGXBIV-KBPBESRZSA-N 0 3 308.385 2.432 20 30 DEEDHN C=C(C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000455303860 405395697 /nfs/dbraw/zinc/39/56/97/405395697.db2.gz BASOGOXWQNJGTH-HZPDHXFCSA-N 0 3 323.481 2.483 20 30 DEEDHN N#Cc1ccc(OC2CCN(C[C@H]3C[C@@H](O)C3)CC2)c(F)c1 ZINC000420962492 405416185 /nfs/dbraw/zinc/41/61/85/405416185.db2.gz KLCFWCLTEKUANJ-OKILXGFUSA-N 0 3 304.365 2.311 20 30 DEEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCCN1C ZINC000420995465 405422948 /nfs/dbraw/zinc/42/29/48/405422948.db2.gz DRPLYBFCNHKGCY-HNNXBMFYSA-N 0 3 311.389 2.134 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000448602225 405425769 /nfs/dbraw/zinc/42/57/69/405425769.db2.gz BPHRUZJDTMEXMO-SJORKVTESA-N 0 3 302.418 2.216 20 30 DEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455773642 405448758 /nfs/dbraw/zinc/44/87/58/405448758.db2.gz BSHRFUSJRWUPHA-IINYFYTJSA-N 0 3 321.812 2.457 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000448892024 405460515 /nfs/dbraw/zinc/46/05/15/405460515.db2.gz YISCNEFQYPCMPB-CQSZACIVSA-N 0 3 302.418 2.393 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2cccc(CC#N)c2)CCSC1 ZINC000455911185 405460693 /nfs/dbraw/zinc/46/06/93/405460693.db2.gz DXLUIUDOLXOXDR-MRXNPFEDSA-N 0 3 318.446 2.311 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCC#Cc2cccc(F)c2)C1 ZINC000458785297 405590759 /nfs/dbraw/zinc/59/07/59/405590759.db2.gz YGHLVSXXKTXCGY-QGZVFWFLSA-N 0 3 317.408 2.301 20 30 DEEDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494216036 405662451 /nfs/dbraw/zinc/66/24/51/405662451.db2.gz LYBKODDAEYNOLU-ZUZCIYMTSA-N 0 3 307.781 2.307 20 30 DEEDHN Cc1sc(NC(=O)CN[C@]2(C)CCO[C@H]2C)c(C#N)c1C ZINC000494283613 405672026 /nfs/dbraw/zinc/67/20/26/405672026.db2.gz XMAJWBRCPICYEZ-XHDPSFHLSA-N 0 3 307.419 2.332 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459119940 405756063 /nfs/dbraw/zinc/75/60/63/405756063.db2.gz MFGXNTALGVEYHK-CQSZACIVSA-N 0 3 318.396 2.181 20 30 DEEDHN CC(C)OC[C@@H](CO)N(C)CCCOc1cccc(C#N)c1 ZINC000433155220 405882410 /nfs/dbraw/zinc/88/24/10/405882410.db2.gz XCGSPAVEUGYVET-MRXNPFEDSA-N 0 3 306.406 2.045 20 30 DEEDHN CN1CCN(C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000561482079 405931844 /nfs/dbraw/zinc/93/18/44/405931844.db2.gz PDKKVYUEVROYCC-WDSOQIARSA-N 0 3 312.461 2.257 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCCC#N ZINC000495727982 405931928 /nfs/dbraw/zinc/93/19/28/405931928.db2.gz KTNDZLVLGXMJDU-UONOGXRCSA-N 0 3 311.426 2.294 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495782921 405934278 /nfs/dbraw/zinc/93/42/78/405934278.db2.gz AMGHHJYBPANNLS-BFHYXJOUSA-N 0 3 311.426 2.150 20 30 DEEDHN COCC1(NC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000562277454 405974766 /nfs/dbraw/zinc/97/47/66/405974766.db2.gz JYBQAEAOTWLUHI-INIZCTEOSA-N 0 3 316.401 2.071 20 30 DEEDHN CN1CC[C@@H]2CN(c3cccc(Br)c3C#N)C[C@@H]21 ZINC000450779978 405980320 /nfs/dbraw/zinc/98/03/20/405980320.db2.gz OZKLPQBEIVRDFZ-YGRLFVJLSA-N 0 3 306.207 2.461 20 30 DEEDHN C=C(C)COCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531639635 405989963 /nfs/dbraw/zinc/98/99/63/405989963.db2.gz CYIFLJXAABIVJU-QGZVFWFLSA-N 0 3 317.433 2.003 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459669638 406002289 /nfs/dbraw/zinc/00/22/89/406002289.db2.gz DUERXAVDKNXNHO-HZPDHXFCSA-N 0 3 315.417 2.266 20 30 DEEDHN CCCCO[C@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C1(C)C ZINC000450975097 406006584 /nfs/dbraw/zinc/00/65/84/406006584.db2.gz WGYXBYNPNDLYCJ-CABCVRRESA-N 0 3 309.454 2.322 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634278690 406080666 /nfs/dbraw/zinc/08/06/66/406080666.db2.gz XJVYELNZUNEYEJ-WMZOPIPTSA-N 0 3 302.418 2.013 20 30 DEEDHN CCC(CC)[C@H](CNC[C@H](C#N)CCC#N)N1CCOCC1 ZINC000567103897 406094472 /nfs/dbraw/zinc/09/44/72/406094472.db2.gz XOJCROMYJKFEQP-RDJZCZTQSA-N 0 3 306.454 2.157 20 30 DEEDHN Cc1cc(CN(C)C[C@H]2CNc3c(C#N)cnn3C2)ccc1F ZINC000514603504 406054100 /nfs/dbraw/zinc/05/41/00/406054100.db2.gz NTFFBADDRNBPAM-CQSZACIVSA-N 0 3 313.380 2.376 20 30 DEEDHN CC(C)(C)N1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000532364224 406070516 /nfs/dbraw/zinc/07/05/16/406070516.db2.gz YDDNNKFCFGCZPF-UHFFFAOYSA-N 0 3 303.366 2.172 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634272592 406076337 /nfs/dbraw/zinc/07/63/37/406076337.db2.gz FJPVKDNBYQUGFE-KRWDZBQOSA-N 0 3 302.418 2.278 20 30 DEEDHN COc1ccc(CN2C[C@H](O)C[C@H]2C)cc1OCCCC#N ZINC000471798260 406118988 /nfs/dbraw/zinc/11/89/88/406118988.db2.gz LKCWVFHJNIDTLD-UKRRQHHQSA-N 0 3 304.390 2.333 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C(F)(F)F)ccn2)CC1 ZINC000639687359 406206251 /nfs/dbraw/zinc/20/62/51/406206251.db2.gz GDDIPXAJYHQSSC-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=CCOc1ccc(CNCCN2CCO[C@H](CC)C2)cc1 ZINC000487153506 406210458 /nfs/dbraw/zinc/21/04/58/406210458.db2.gz JZLUTLHPTYBRGH-QGZVFWFLSA-N 0 3 304.434 2.452 20 30 DEEDHN CC(C)[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCN1C ZINC000487961899 406278266 /nfs/dbraw/zinc/27/82/66/406278266.db2.gz XHSZLRDSVUCEHM-KRWDZBQOSA-N 0 3 314.433 2.159 20 30 DEEDHN CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CCN1C ZINC000487987317 406281278 /nfs/dbraw/zinc/28/12/78/406281278.db2.gz JTHPGERQXIMWPM-YOEHRIQHSA-N 0 3 314.433 2.157 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000537229808 406285912 /nfs/dbraw/zinc/28/59/12/406285912.db2.gz HIAOXFPGSAACFJ-VQIMIIECSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCN(C(=O)c1ccnc(OCCN(C)C)c1)C(C)(C)C ZINC000637408653 406297728 /nfs/dbraw/zinc/29/77/28/406297728.db2.gz REIWSDQCPNEYHK-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN Cc1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000570710359 406429689 /nfs/dbraw/zinc/42/96/89/406429689.db2.gz VMMOOVFBKQVXDS-UHFFFAOYSA-N 0 3 318.398 2.066 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000489394483 406402252 /nfs/dbraw/zinc/40/22/52/406402252.db2.gz CAFKKAXRUVSPFQ-IAGOWNOFSA-N 0 3 318.417 2.425 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccccc2-n2ccnc2)CC1 ZINC000490590091 406472696 /nfs/dbraw/zinc/47/26/96/406472696.db2.gz NCYLNNLQAXOXDX-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)NCC)cc1 ZINC000637937441 406485819 /nfs/dbraw/zinc/48/58/19/406485819.db2.gz LEQMFRJHKAMZML-CQSZACIVSA-N 0 3 315.417 2.437 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)CC1 ZINC000490780459 406492845 /nfs/dbraw/zinc/49/28/45/406492845.db2.gz LDSGKVTYWKGCQS-AWEZNQCLSA-N 0 3 302.340 2.179 20 30 DEEDHN COc1ccc(CN2CCCN(c3ccnc(C#N)n3)CC2)cc1 ZINC000571694333 406554268 /nfs/dbraw/zinc/55/42/68/406554268.db2.gz JUNFSECNRRCDNM-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN C#CCNC(=O)C1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000491263548 406556891 /nfs/dbraw/zinc/55/68/91/406556891.db2.gz ASRSZADATPQFAX-ARJAWSKDSA-N 0 3 318.367 2.439 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(CO)c(Cl)c2)CC1 ZINC000491039157 406521680 /nfs/dbraw/zinc/52/16/80/406521680.db2.gz NWKIBKDLEJQQHF-UHFFFAOYSA-N 0 3 306.793 2.116 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000491525698 406611652 /nfs/dbraw/zinc/61/16/52/406611652.db2.gz UPDSDRQQAYIBJX-INIZCTEOSA-N 0 3 303.381 2.067 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CSc2ccccc21 ZINC000491545074 406616302 /nfs/dbraw/zinc/61/63/02/406616302.db2.gz OVVXQFKQPHSYAW-CQSZACIVSA-N 0 3 303.431 2.088 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)Cc1ccccc1F ZINC000491370740 406579793 /nfs/dbraw/zinc/57/97/93/406579793.db2.gz APTJVHHIRGEWLP-CQSZACIVSA-N 0 3 305.397 2.011 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2c3c(nn2C)CCCC3)CC1 ZINC000640631782 406588742 /nfs/dbraw/zinc/58/87/42/406588742.db2.gz KLVTXXHMAAAHJH-UHFFFAOYSA-N 0 3 317.437 2.071 20 30 DEEDHN C#CCN(C)CCCN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000491659153 406655101 /nfs/dbraw/zinc/65/51/01/406655101.db2.gz MNGAISZLSNQUMN-QGZVFWFLSA-N 0 3 314.408 2.193 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC=C(c2ccccc2C)C1 ZINC000491670508 406659601 /nfs/dbraw/zinc/65/96/01/406659601.db2.gz QXWHVFJAMYMRBM-UHFFFAOYSA-N 0 3 311.429 2.359 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCn2c(cc3ccccc32)C1 ZINC000491741502 406697412 /nfs/dbraw/zinc/69/74/12/406697412.db2.gz IPGMBJGTVHLIKS-UHFFFAOYSA-N 0 3 324.428 2.122 20 30 DEEDHN C#C[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(Br)cc1 ZINC000491781185 406715531 /nfs/dbraw/zinc/71/55/31/406715531.db2.gz NFDKBQKVGIPJJZ-VBROQKIQSA-N 0 3 321.218 2.357 20 30 DEEDHN C#C[C@@H](NC(=O)Nc1cccc(OCCN(C)C)c1)C(C)C ZINC000491806047 406729333 /nfs/dbraw/zinc/72/93/33/406729333.db2.gz PTBRSPBEJCXDQV-MRXNPFEDSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000491808834 406730273 /nfs/dbraw/zinc/73/02/73/406730273.db2.gz WVOGKKQQJVSJRM-UHFFFAOYSA-N 0 3 317.433 2.182 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000574455458 406782556 /nfs/dbraw/zinc/78/25/56/406782556.db2.gz DDPOWLQZVAWUTL-OAHLLOKOSA-N 0 3 316.361 2.107 20 30 DEEDHN C=CCN(CCC#N)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000574790461 406786117 /nfs/dbraw/zinc/78/61/17/406786117.db2.gz APSJFYXJQKSZIU-KRWDZBQOSA-N 0 3 312.417 2.222 20 30 DEEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(C#N)cn1)c1ccco1 ZINC000554634067 406820073 /nfs/dbraw/zinc/82/00/73/406820073.db2.gz LEKAETSKNKFYMC-IUODEOHRSA-N 0 3 312.373 2.405 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCNCC2(C)C)cc1OC ZINC000647840634 407059289 /nfs/dbraw/zinc/05/92/89/407059289.db2.gz OBGQSLAUTFNCFJ-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N1CCC(C)CC1 ZINC000329450220 286788898 /nfs/dbraw/zinc/78/88/98/286788898.db2.gz OTZLJLGOHIXSQQ-RRFJBIMHSA-N 0 3 322.453 2.072 20 30 DEEDHN CC(=O)c1ccc(C#N)cc1N1CCOC2(CCN(C)CC2)C1 ZINC000645385847 407272338 /nfs/dbraw/zinc/27/23/38/407272338.db2.gz TXHQDWIGSAKORM-UHFFFAOYSA-N 0 3 313.401 2.062 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCc1ncc[nH]1 ZINC001099033856 782014911 /nfs/dbraw/zinc/01/49/11/782014911.db2.gz OCABHVNWDFGNLH-AWEZNQCLSA-N 0 3 304.438 2.135 20 30 DEEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1cncc([O-])c1)C(C)C ZINC000133119210 196313585 /nfs/dbraw/zinc/31/35/85/196313585.db2.gz ARDLUQFTFRMVMY-MRXNPFEDSA-N 0 3 303.406 2.216 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001086077998 784386973 /nfs/dbraw/zinc/38/69/73/784386973.db2.gz ZTZDDMYIZVXUJB-GIPGFSNBSA-N 0 3 300.830 2.038 20 30 DEEDHN N#C[C@@]1(NC(=O)C2CCN(C3CC3)CC2)CCc2ccccc2C1 ZINC000192844159 225144713 /nfs/dbraw/zinc/14/47/13/225144713.db2.gz DDXZMXCZEPTPRG-HXUWFJFHSA-N 0 3 323.440 2.428 20 30 DEEDHN CS(=O)(=O)Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000192790932 225142795 /nfs/dbraw/zinc/14/27/95/225142795.db2.gz PHTSUSWSNBFLDM-BBRMVZONSA-N 0 3 306.431 2.403 20 30 DEEDHN Cc1ncc(CON=C(N)c2ccc(CN(C)C)cc2)s1 ZINC000267034391 225344292 /nfs/dbraw/zinc/34/42/92/225344292.db2.gz WIZXUJZHOCCSFC-UHFFFAOYSA-N 0 3 304.419 2.350 20 30 DEEDHN Cc1ncc(CO)c(/C=N/CC2(C[NH+](C)C)CCCC2)c1[O-] ZINC000273473592 225436005 /nfs/dbraw/zinc/43/60/05/225436005.db2.gz HHQAYCPRBNUSOQ-GIJQJNRQSA-N 0 3 305.422 2.129 20 30 DEEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000330836776 226036468 /nfs/dbraw/zinc/03/64/68/226036468.db2.gz RNRFILGMKNPJHW-OWCLPIDISA-N 0 3 302.422 2.295 20 30 DEEDHN Cc1ccc(C(=O)NC2CCN(CCOCCC#N)CC2)s1 ZINC000339029713 226177230 /nfs/dbraw/zinc/17/72/30/226177230.db2.gz OVUGCNKSXUQRTD-UHFFFAOYSA-N 0 3 321.446 2.181 20 30 DEEDHN COc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)ccc1OCCO ZINC000339066255 226179365 /nfs/dbraw/zinc/17/93/65/226179365.db2.gz GFLLYLJOVQOTJZ-YDHLFZDLSA-N 0 3 304.390 2.409 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)c3ccco3)C2)C1 ZINC000339168522 226182240 /nfs/dbraw/zinc/18/22/40/226182240.db2.gz HPQMGEMONZLNQF-RBSFLKMASA-N 0 3 301.390 2.414 20 30 DEEDHN N#CCCOCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000338898621 226173544 /nfs/dbraw/zinc/17/35/44/226173544.db2.gz APJMQCDPIQAFOC-HNNXBMFYSA-N 0 3 317.437 2.114 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000291181461 222201434 /nfs/dbraw/zinc/20/14/34/222201434.db2.gz FEHGKZBDEQYWSK-FUHWJXTLSA-N 0 3 302.418 2.094 20 30 DEEDHN N#CC1(NC(=O)CN2CC[C@H](C3CCOCC3)C2)CCCCC1 ZINC000374358823 227131708 /nfs/dbraw/zinc/13/17/08/227131708.db2.gz LGWFFGYMFVTOEZ-INIZCTEOSA-N 0 3 319.449 2.078 20 30 DEEDHN N#CCCn1ccc(NC(=O)Nc2ccc3c(c2)CNCC3)n1 ZINC000521836817 421800894 /nfs/dbraw/zinc/80/08/94/421800894.db2.gz INXMNARNBYUMBM-UHFFFAOYSA-N 0 3 310.361 2.086 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccccc1 ZINC001348535341 1151167667 /nfs/dbraw/zinc/16/76/67/1151167667.db2.gz PDZGAGSCBCCSIV-BZSNNMDCSA-N 0 3 314.429 2.014 20 30 DEEDHN N#Cc1ccc(NC[C@H]2CCCN2Cc2ccccc2)nc1N ZINC000565222070 424905034 /nfs/dbraw/zinc/90/50/34/424905034.db2.gz MPBGEHHNTIYQIG-MRXNPFEDSA-N 0 3 307.401 2.612 20 30 DEEDHN CN1CCC(n2ccc(NC(=O)N[C@H]3C=CCCC3)n2)CC1 ZINC000330218550 424908595 /nfs/dbraw/zinc/90/85/95/424908595.db2.gz OUHJRUXXTFOBEM-ZDUSSCGKSA-N 0 3 303.410 2.584 20 30 DEEDHN CC#CC[C@@H](CO)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000649181823 424964598 /nfs/dbraw/zinc/96/45/98/424964598.db2.gz JMIMSNRABRTNCG-SFHVURJKSA-N 0 3 314.429 2.177 20 30 DEEDHN CCN(CC)[C@H](CNc1cc(C#N)cnn1)c1ccsc1 ZINC000596075018 425016579 /nfs/dbraw/zinc/01/65/79/425016579.db2.gz VBCMYQFTXZJRLG-CQSZACIVSA-N 0 3 301.419 2.905 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)COCC2CC2)CC1 ZINC000650852515 425066351 /nfs/dbraw/zinc/06/63/51/425066351.db2.gz HHWJEYYWFRLNTQ-CQSZACIVSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000650852048 425066848 /nfs/dbraw/zinc/06/68/48/425066848.db2.gz OFRPWADFFRIADO-OAHLLOKOSA-N 0 3 313.392 2.468 20 30 DEEDHN C=CCC1(CNC(=O)Nc2ccn(CCN(C)C)n2)CCCC1 ZINC000454869781 425093177 /nfs/dbraw/zinc/09/31/77/425093177.db2.gz WXYCIWNSSQFESV-UHFFFAOYSA-N 0 3 319.453 2.703 20 30 DEEDHN C=CCOc1ccc(CNCC[C@@]2(O)CCCOC2)cc1OC ZINC000652039977 425169125 /nfs/dbraw/zinc/16/91/25/425169125.db2.gz UHMNRHGPGNJWDN-SFHVURJKSA-N 0 3 321.417 2.281 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000663578488 425190037 /nfs/dbraw/zinc/19/00/37/425190037.db2.gz CZSLBQXEDLXTQR-MRXNPFEDSA-N 0 3 322.497 2.010 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(CCCOC)CC1 ZINC000660700974 425211165 /nfs/dbraw/zinc/21/11/65/425211165.db2.gz YFMMQJLGCLNECX-CALCHBBNSA-N 0 3 321.465 2.380 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCN(C)CCCOC ZINC000660740941 425221831 /nfs/dbraw/zinc/22/18/31/425221831.db2.gz VMYGUVVIICDGAO-HOTGVXAUSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCN(C(=O)NC1CCN(CC(=C)C)CC1)[C@@H](C)COC ZINC000664017457 425290098 /nfs/dbraw/zinc/29/00/98/425290098.db2.gz WZBBIRFPHXXKNC-HNNXBMFYSA-N 0 3 309.454 2.259 20 30 DEEDHN C=CCCn1cc(CN[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000657327404 425306414 /nfs/dbraw/zinc/30/64/14/425306414.db2.gz MBVBVHLVVQPANY-BZUAXINKSA-N 0 3 305.470 2.310 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654581863 425388305 /nfs/dbraw/zinc/38/83/05/425388305.db2.gz JVHQRHFMTHQBAA-JJXSEGSLSA-N 0 3 307.438 2.036 20 30 DEEDHN C=CCCCCCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000654666929 425411005 /nfs/dbraw/zinc/41/10/05/425411005.db2.gz GCNXAWOURAYNEY-UHFFFAOYSA-N 0 3 309.454 2.239 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000654749278 425436043 /nfs/dbraw/zinc/43/60/43/425436043.db2.gz NYBWIQAZUQCXDO-UHFFFAOYSA-N 0 3 304.438 2.408 20 30 DEEDHN C=CCOCCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000658210692 425456041 /nfs/dbraw/zinc/45/60/41/425456041.db2.gz VKWAPEFVYVEFCQ-OAHLLOKOSA-N 0 3 311.447 2.340 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000658828101 425506540 /nfs/dbraw/zinc/50/65/40/425506540.db2.gz ZOWIOUAGRWBKIT-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN NC[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000655515807 425589154 /nfs/dbraw/zinc/58/91/54/425589154.db2.gz LITVBPQKBCGNQA-QMMMGPOBSA-N 0 3 318.192 2.464 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1cccc(C#N)c1 ZINC000334047571 269011125 /nfs/dbraw/zinc/01/11/25/269011125.db2.gz HJFASJUQBHIYKW-WMLDXEAASA-N 0 3 314.433 2.082 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c(F)c1 ZINC000370860687 269087037 /nfs/dbraw/zinc/08/70/37/269087037.db2.gz JUURCGZERFMJNX-QZTJIDSGSA-N 0 3 317.408 2.430 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)[C@H]1C ZINC001088921436 782049536 /nfs/dbraw/zinc/04/95/36/782049536.db2.gz JUKYSXOKMUPHNP-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCNC(=O)CCNCc1c(C)cc(Br)cc1C ZINC000491726118 275383470 /nfs/dbraw/zinc/38/34/70/275383470.db2.gz JMANKJHOBFVANO-UHFFFAOYSA-N 0 3 323.234 2.295 20 30 DEEDHN C#CCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363305229 275383763 /nfs/dbraw/zinc/38/37/63/275383763.db2.gz ANJSBMLKOIVNLM-LJQANCHMSA-N 0 3 311.429 2.317 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000294807726 275384697 /nfs/dbraw/zinc/38/46/97/275384697.db2.gz BVGUZTUNUNJLOI-IRXDYDNUSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2NCCc3ccccc32)CCOCC1 ZINC000424163398 275422345 /nfs/dbraw/zinc/42/23/45/275422345.db2.gz DRMNDHKTMCPICM-QGZVFWFLSA-N 0 3 314.429 2.363 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000278594097 275438131 /nfs/dbraw/zinc/43/81/31/275438131.db2.gz KOJBAILGVSFDTQ-FUHWJXTLSA-N 0 3 302.418 2.267 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000279287551 275744145 /nfs/dbraw/zinc/74/41/45/275744145.db2.gz PDAJIKCZSJOTLG-DJIMGWMZSA-N 0 3 304.434 2.124 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000329390139 276155323 /nfs/dbraw/zinc/15/53/23/276155323.db2.gz UVDWNTQEIUKCAK-ZIAGYGMSSA-N 0 3 309.454 2.464 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)C1 ZINC000293926644 277071699 /nfs/dbraw/zinc/07/16/99/277071699.db2.gz IUKGNRQTSFOALY-QGZVFWFLSA-N 0 3 319.355 2.394 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)nn(CC)c2C)[C@H]1C ZINC001088924753 782050398 /nfs/dbraw/zinc/05/03/98/782050398.db2.gz LYSBKXIPGMFCHE-HIFRSBDPSA-N 0 3 304.438 2.289 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@@H](C)C1)C(C)C ZINC000372218399 277848076 /nfs/dbraw/zinc/84/80/76/277848076.db2.gz UCZBPOXGTARLDE-IRXDYDNUSA-N 0 3 323.481 2.363 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCCCOC)C(C)C ZINC000298663771 277848503 /nfs/dbraw/zinc/84/85/03/277848503.db2.gz IXKOQBHIIFVBHM-INIZCTEOSA-N 0 3 311.470 2.411 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](OC)C1)C(C)C ZINC000267900613 277848564 /nfs/dbraw/zinc/84/85/64/277848564.db2.gz WBZPIUWPBINRAF-HOTGVXAUSA-N 0 3 309.454 2.115 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358098899 277907989 /nfs/dbraw/zinc/90/79/89/277907989.db2.gz ATFFCDZTCSWEIQ-HNNXBMFYSA-N 0 3 314.495 2.159 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCCC[C@@H]1OC(F)F ZINC000337383095 277982632 /nfs/dbraw/zinc/98/26/32/277982632.db2.gz DUKRFNLETCTPQZ-XUJVJEKNSA-N 0 3 317.380 2.181 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnccc1C#N ZINC000342108624 278267235 /nfs/dbraw/zinc/26/72/35/278267235.db2.gz RTGDEKYRJNUCLJ-MJBXVCDLSA-N 0 3 300.406 2.049 20 30 DEEDHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000285260769 278870894 /nfs/dbraw/zinc/87/08/94/278870894.db2.gz XKHKRAWNOLLAFP-WQVCFCJDSA-N 0 3 315.442 2.395 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451378515 279224611 /nfs/dbraw/zinc/22/46/11/279224611.db2.gz YCAPWUBYNJBNMV-QFXBJFAPSA-N 0 3 301.434 2.139 20 30 DEEDHN C[C@H]1CN(CC2CCN(C(=O)C3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000369496616 279853591 /nfs/dbraw/zinc/85/35/91/279853591.db2.gz NXCKCMLSNYVHDB-GJZGRUSLSA-N 0 3 319.449 2.028 20 30 DEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@@H]1[C@H]1CCCO1 ZINC000329602353 281146578 /nfs/dbraw/zinc/14/65/78/281146578.db2.gz KXJXOODCWNTCOD-KCPJHIHWSA-N 0 3 318.421 2.070 20 30 DEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)[C@@H]1[C@H]1CCCO1 ZINC000329602353 281146581 /nfs/dbraw/zinc/14/65/81/281146581.db2.gz KXJXOODCWNTCOD-KCPJHIHWSA-N 0 3 318.421 2.070 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)NCC3CCC(C#N)CC3)C2)C1 ZINC000333567268 290001802 /nfs/dbraw/zinc/00/18/02/290001802.db2.gz HYSGQFFFHJYCEC-HTWSVDAQSA-N 0 3 318.465 2.444 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377715191 290220239 /nfs/dbraw/zinc/22/02/39/290220239.db2.gz BJJZZRLFCTXNRD-VQIMIIECSA-N 0 3 312.461 2.331 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCC(C)(C)CN1CCCO ZINC001099069258 782085611 /nfs/dbraw/zinc/08/56/11/782085611.db2.gz DDMLOLHLZFSUJQ-HNNXBMFYSA-N 0 3 308.466 2.025 20 30 DEEDHN C#CCC1(NCC(=O)Nc2cccc(CC)c2)CCOCC1 ZINC001350092498 1151323222 /nfs/dbraw/zinc/32/32/22/1151323222.db2.gz KVJSTBWCHQPSRC-UHFFFAOYSA-N 0 3 300.402 2.350 20 30 DEEDHN N#Cc1ccc(CNCCN2CCN(c3ccccc3)CC2)o1 ZINC000573396014 326052647 /nfs/dbraw/zinc/05/26/47/326052647.db2.gz YIAXWNUPGXHUFE-UHFFFAOYSA-N 0 3 310.401 2.063 20 30 DEEDHN CSc1ccc([C@@H](CNc2ccnc(C#N)n2)N(C)C)cc1 ZINC000573696914 326083849 /nfs/dbraw/zinc/08/38/49/326083849.db2.gz MSVMCWHKYIWMFA-CQSZACIVSA-N 0 3 313.430 2.207 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000575103988 326218596 /nfs/dbraw/zinc/21/85/96/326218596.db2.gz BXQKIICFWBWSOF-IUHNQTRMSA-N 0 3 309.413 2.261 20 30 DEEDHN CCN(CCC#N)C(=O)CNC1(c2ccccc2)CCOCC1 ZINC000533381409 331511666 /nfs/dbraw/zinc/51/16/66/331511666.db2.gz UWCWEAFYNXUOTQ-UHFFFAOYSA-N 0 3 315.417 2.044 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccnn2CC)CC1 ZINC000255294816 331729652 /nfs/dbraw/zinc/72/96/52/331729652.db2.gz KINJFCYPLIQCCW-WAYWQWQTSA-N 0 3 302.422 2.073 20 30 DEEDHN C#CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000181995831 333148137 /nfs/dbraw/zinc/14/81/37/333148137.db2.gz XCAAFRLDKGJOQN-OAHLLOKOSA-N 0 3 318.373 2.212 20 30 DEEDHN CCC(=NNC1=N[C@H](C)CN1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497258905 333228367 /nfs/dbraw/zinc/22/83/67/333228367.db2.gz FMUOOZQCKJIBJA-DGCLKSJQSA-N 0 3 323.441 2.089 20 30 DEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)CN(C)C1CC1 ZINC000352104587 336195061 /nfs/dbraw/zinc/19/50/61/336195061.db2.gz VAENNDHOVJUPCH-GOSISDBHSA-N 0 3 320.481 2.297 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2nc(C)no2)CC1 ZINC000582913307 337217035 /nfs/dbraw/zinc/21/70/35/337217035.db2.gz DXXPVZGHBJNZOI-GFCCVEGCSA-N 0 3 321.425 2.121 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000582957662 337218300 /nfs/dbraw/zinc/21/83/00/337218300.db2.gz GBBBTMOTAXDDKO-CYBMUJFWSA-N 0 3 324.384 2.285 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C2)C1 ZINC000583736589 337327569 /nfs/dbraw/zinc/32/75/69/337327569.db2.gz YKNHEVSLEMVAEL-HNNXBMFYSA-N 0 3 319.796 2.166 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ccnc(C#N)n1 ZINC000584540195 337359482 /nfs/dbraw/zinc/35/94/82/337359482.db2.gz QEIHJKBUGFAPTF-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C#N)CC1 ZINC000057908051 337458406 /nfs/dbraw/zinc/45/84/06/337458406.db2.gz NSVUYMBRZXRYRP-UHFFFAOYSA-N 0 3 316.361 2.467 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000571916243 337582887 /nfs/dbraw/zinc/58/28/87/337582887.db2.gz UCBIDZMVXKFKAQ-VIFPVBQESA-N 0 3 301.268 2.371 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)NCC(CC)(CC)C(=O)OC ZINC000279016454 337668530 /nfs/dbraw/zinc/66/85/30/337668530.db2.gz BEXPOQWIVVFMQD-CQSZACIVSA-N 0 3 310.438 2.145 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@]2(C)OC(C)C)CC1 ZINC000527730356 337759329 /nfs/dbraw/zinc/75/93/29/337759329.db2.gz NZBOIUZXLPMLIJ-WBVHZDCISA-N 0 3 309.454 2.282 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496366456 340003964 /nfs/dbraw/zinc/00/39/64/340003964.db2.gz UFENOSBGNCXRKH-KFWWJZLASA-N 0 3 323.437 2.246 20 30 DEEDHN CN(C)C(=O)O[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000496742282 340011819 /nfs/dbraw/zinc/01/18/19/340011819.db2.gz BCUOZBOSCWMADC-HNNXBMFYSA-N 0 3 323.437 2.250 20 30 DEEDHN N#CCCOCCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496930967 340016465 /nfs/dbraw/zinc/01/64/65/340016465.db2.gz PADMNZWXUCKMOX-MRXNPFEDSA-N 0 3 323.437 2.440 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496982300 340017488 /nfs/dbraw/zinc/01/74/88/340017488.db2.gz OOCXKWNFFSNVSN-JHJVBQTASA-N 0 3 309.410 2.346 20 30 DEEDHN C=CCNC(=O)CN(CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502940184 340117236 /nfs/dbraw/zinc/11/72/36/340117236.db2.gz OUXOVBSQHXYMPF-OAHLLOKOSA-N 0 3 317.433 2.418 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000173598104 340368384 /nfs/dbraw/zinc/36/83/84/340368384.db2.gz XHFPUVKCOKCCLF-HNNXBMFYSA-N 0 3 317.458 2.364 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2c(CC)noc2CC)CC1 ZINC000087318144 340455942 /nfs/dbraw/zinc/45/59/42/340455942.db2.gz XQRRFIYCDKJRKB-UHFFFAOYSA-N 0 3 319.449 2.499 20 30 DEEDHN N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000548811940 341276682 /nfs/dbraw/zinc/27/66/82/341276682.db2.gz OKKYQGWBKABREE-MRXNPFEDSA-N 0 3 324.428 2.092 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000245915971 341318065 /nfs/dbraw/zinc/31/80/65/341318065.db2.gz FORVGCROAWDNNX-HZPDHXFCSA-N 0 3 300.406 2.425 20 30 DEEDHN CCC[C@@]1(COC)CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000248716271 341385033 /nfs/dbraw/zinc/38/50/33/341385033.db2.gz BJZFMHLOGGJOBD-WBVHZDCISA-N 0 3 309.454 2.276 20 30 DEEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)CN(C)CCC#N ZINC000566792275 341568136 /nfs/dbraw/zinc/56/81/36/341568136.db2.gz PNGLUVQXRKBBCI-CVEARBPZSA-N 0 3 319.449 2.331 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCOC[C@@H]2C2CCC2)CC1 ZINC000572838092 341706058 /nfs/dbraw/zinc/70/60/58/341706058.db2.gz RKKSDFWLIBTJDU-QGZVFWFLSA-N 0 3 321.465 2.237 20 30 DEEDHN CC[C@@H](CC#N)NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000575932224 341815696 /nfs/dbraw/zinc/81/56/96/341815696.db2.gz FJVCUBAGWITVDU-NSHDSACASA-N 0 3 318.333 2.175 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@@](C)(CC)C1=O)C(C)C ZINC000349239480 341967071 /nfs/dbraw/zinc/96/70/71/341967071.db2.gz XTXFMLOZSOPRCF-PBHICJAKSA-N 0 3 307.438 2.406 20 30 DEEDHN C=CCCC(=O)NCC1(NC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001357036138 1152221311 /nfs/dbraw/zinc/22/13/11/1152221311.db2.gz LXGUFTOZVCUUEP-INIZCTEOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOc1cccc(OC(=O)C2CCCN(C3CC3)C2=O)c1 ZINC001357507938 1152305345 /nfs/dbraw/zinc/30/53/45/1152305345.db2.gz LJUDYEMZAZYJRJ-INIZCTEOSA-N 0 3 313.353 2.005 20 30 DEEDHN C[C@@H](CCNC(=O)C(C)(F)F)NCc1cc(C#N)ccc1F ZINC001377378897 1160304346 /nfs/dbraw/zinc/30/43/46/1160304346.db2.gz IDWMPSVPXTWWLW-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cn(CC)cn1)C1CC1 ZINC001378422336 1152323467 /nfs/dbraw/zinc/32/34/67/1152323467.db2.gz XGCPAISLGNSRAF-OAHLLOKOSA-N 0 3 310.829 2.144 20 30 DEEDHN CC#CC[C@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC001574963439 1069309729 /nfs/dbraw/zinc/30/97/29/1069309729.db2.gz UQEQGFRZVAVPCL-GWCFXTLKSA-N 0 3 309.207 2.367 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](CC(=C)C)NC(C)=O ZINC001329935493 1149018863 /nfs/dbraw/zinc/01/88/63/1149018863.db2.gz CVZSZVPUPDGEDP-SJORKVTESA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cccc1 ZINC001329938962 1149019507 /nfs/dbraw/zinc/01/95/07/1149019507.db2.gz SHKCVAUGYYBZQM-IRXDYDNUSA-N 0 3 301.434 2.433 20 30 DEEDHN C=C(Br)CNC[C@H](NC(=O)[C@H](C)OC)C(C)(C)C ZINC001369538882 1149028252 /nfs/dbraw/zinc/02/82/52/1149028252.db2.gz HZRFMEBTCFAVJD-QWRGUYRKSA-N 0 3 321.259 2.050 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)CC1(C)C ZINC001330203905 1149068562 /nfs/dbraw/zinc/06/85/62/1149068562.db2.gz PUDQFQWSSQUGFZ-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC001330245568 1149078574 /nfs/dbraw/zinc/07/85/74/1149078574.db2.gz ZHUPYKXQKYQYDY-INIZCTEOSA-N 0 3 319.449 2.274 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2c(C)n[nH]c2C)C(C)(C)C1 ZINC001330245460 1149078971 /nfs/dbraw/zinc/07/89/71/1149078971.db2.gz SQDXDBBDXAJANG-INIZCTEOSA-N 0 3 318.465 2.362 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cncnc1C)C1CC1 ZINC001400987506 1161856117 /nfs/dbraw/zinc/85/61/17/1161856117.db2.gz DGQQNPNDCMPOKY-HNNXBMFYSA-N 0 3 308.813 2.026 20 30 DEEDHN COC(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424125191 534218507 /nfs/dbraw/zinc/21/85/07/534218507.db2.gz NLGOYPKDHNLSIT-LBPRGKRZSA-N 0 3 309.753 2.086 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000451605389 534606416 /nfs/dbraw/zinc/60/64/16/534606416.db2.gz JZQUFCHZAMKCHE-XZJROXQQSA-N 0 3 324.371 2.417 20 30 DEEDHN C=CCC[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)OCC ZINC000456624314 534793750 /nfs/dbraw/zinc/79/37/50/534793750.db2.gz IAOSEIRODQJWQV-MRXNPFEDSA-N 0 3 318.417 2.376 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000441673915 534801747 /nfs/dbraw/zinc/80/17/47/534801747.db2.gz JCOUXCDNZKHZDG-HZPDHXFCSA-N 0 3 324.384 2.467 20 30 DEEDHN N#Cc1ccnc(N2CCN(CC[C@@H]3CCCCO3)CC2)c1 ZINC000332532428 534822812 /nfs/dbraw/zinc/82/28/12/534822812.db2.gz HNFJFJAOFHWQRL-INIZCTEOSA-N 0 3 300.406 2.034 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)c2cccnc2)CC1 ZINC000413245447 526432447 /nfs/dbraw/zinc/43/24/47/526432447.db2.gz SAHBEQBEGDKTPK-UHFFFAOYSA-N 0 3 316.449 2.309 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CCO)CC2)CC1 ZINC000422167518 526585016 /nfs/dbraw/zinc/58/50/16/526585016.db2.gz RMEXXUIXOAZUCC-MRXNPFEDSA-N 0 3 323.481 2.221 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)CC1 ZINC000373459052 526589199 /nfs/dbraw/zinc/58/91/99/526589199.db2.gz KUOHPSJLAPUITI-YOEHRIQHSA-N 0 3 321.465 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@H](O)C(C)C)CC1 ZINC000413231510 526592065 /nfs/dbraw/zinc/59/20/65/526592065.db2.gz FULYXXRZDBOPCE-JKSUJKDBSA-N 0 3 311.470 2.122 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](Cc2ccccc2)OC)CC1 ZINC000294645512 526597163 /nfs/dbraw/zinc/59/71/63/526597163.db2.gz PGDAXMILJSXDSB-SFHVURJKSA-N 0 3 316.445 2.401 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c(CC)ncnc2CC)CC1 ZINC000339999594 526598817 /nfs/dbraw/zinc/59/88/17/526598817.db2.gz NEVWURUGHNHQSQ-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000191546941 526601906 /nfs/dbraw/zinc/60/19/06/526601906.db2.gz OSFFRUVNKDPZSO-UHFFFAOYSA-N 0 3 316.449 2.449 20 30 DEEDHN C#CCC(C)(C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000368394606 526662289 /nfs/dbraw/zinc/66/22/89/526662289.db2.gz NYQAVUVYBGZFQE-UHFFFAOYSA-N 0 3 319.493 2.053 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H](CO)[C@@H]2CCCO2)ccc1OC ZINC000447966944 526663137 /nfs/dbraw/zinc/66/31/37/526663137.db2.gz LTGJYYDYDZGLCL-HOTGVXAUSA-N 0 3 321.417 2.280 20 30 DEEDHN C=CCOCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000339010278 526770831 /nfs/dbraw/zinc/77/08/31/526770831.db2.gz JBMDUGKXYKJRRR-MRXNPFEDSA-N 0 3 302.418 2.331 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(OC)c(C)c1 ZINC000296764653 526807517 /nfs/dbraw/zinc/80/75/17/526807517.db2.gz GATHCNCZBPBGLT-UHFFFAOYSA-N 0 3 317.433 2.100 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)CCCOc1ccccc1 ZINC000296747209 526808412 /nfs/dbraw/zinc/80/84/12/526808412.db2.gz DXFLPEOCKMGZEF-UHFFFAOYSA-N 0 3 317.433 2.052 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000418169861 526876791 /nfs/dbraw/zinc/87/67/91/526876791.db2.gz QNNJAPNVIOOGNC-KBPBESRZSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCSCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000417343968 526989782 /nfs/dbraw/zinc/98/97/82/526989782.db2.gz PEQISSOUZVTCKW-LSDHHAIUSA-N 0 3 305.447 2.042 20 30 DEEDHN CC(=O)Nc1cccc(NC(=O)NC2CCN(C)CC2)c1C ZINC000330808453 527060625 /nfs/dbraw/zinc/06/06/25/527060625.db2.gz KXYLUZCZXNXWOB-UHFFFAOYSA-N 0 3 304.394 2.374 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190976347 527073847 /nfs/dbraw/zinc/07/38/47/527073847.db2.gz BSIVIFGUFKPNPM-QGZVFWFLSA-N 0 3 302.418 2.360 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000342013418 527118758 /nfs/dbraw/zinc/11/87/58/527118758.db2.gz JVZKYYGEFXOPQR-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CC[C@H](CO)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000341261315 527185769 /nfs/dbraw/zinc/18/57/69/527185769.db2.gz NRECFUKCEGCFRT-JTQLQIEISA-N 0 3 315.316 2.291 20 30 DEEDHN C=CCc1cc(CN[C@H](CO)CC(F)F)cc(OC)c1O ZINC000428638226 527244155 /nfs/dbraw/zinc/24/41/55/527244155.db2.gz FUTNBCOPMQJYHE-LBPRGKRZSA-N 0 3 301.333 2.235 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](O)CC1 ZINC000339784362 527263209 /nfs/dbraw/zinc/26/32/09/527263209.db2.gz RSLHFHLDKNBWNA-SJORKVTESA-N 0 3 305.418 2.002 20 30 DEEDHN C=CCCC[C@H](C)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000340903376 527275452 /nfs/dbraw/zinc/27/54/52/527275452.db2.gz OECDXLBWFXHOOS-LSDHHAIUSA-N 0 3 300.468 2.231 20 30 DEEDHN C=CCn1c(CC2CC2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000337856296 527314044 /nfs/dbraw/zinc/31/40/44/527314044.db2.gz LLVNQFDXMNABEZ-MRXNPFEDSA-N 0 3 315.465 2.481 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417969481 527354779 /nfs/dbraw/zinc/35/47/79/527354779.db2.gz ZODPZSJVTRTHBV-MRXNPFEDSA-N 0 3 305.422 2.141 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000374246725 527394140 /nfs/dbraw/zinc/39/41/40/527394140.db2.gz AOAIOMPRGKPJJX-MSOLQXFVSA-N 0 3 313.445 2.466 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192983391 527414154 /nfs/dbraw/zinc/41/41/54/527414154.db2.gz DSXHVYJHEJCWBV-MRXNPFEDSA-N 0 3 308.447 2.004 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000442678457 527523300 /nfs/dbraw/zinc/52/33/00/527523300.db2.gz LJANVTGXYAGMEM-RBUKOAKNSA-N 0 3 316.445 2.342 20 30 DEEDHN CCN1CCC(N(C)C(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000330823328 528970285 /nfs/dbraw/zinc/97/02/85/528970285.db2.gz UWLYTXIJMFGTNB-UHFFFAOYSA-N 0 3 321.396 2.073 20 30 DEEDHN CCN1CCN([C@H](C)CNC(=O)c2c(C)noc2C(C)C)CC1 ZINC000330400776 529151802 /nfs/dbraw/zinc/15/18/02/529151802.db2.gz SLIKLZCEJMQKTP-CYBMUJFWSA-N 0 3 322.453 2.437 20 30 DEEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(C#N)cc1 ZINC000278717522 529164581 /nfs/dbraw/zinc/16/45/81/529164581.db2.gz MANKIFVCMBSLPK-BQASMSSTSA-N 0 3 324.384 2.125 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000192215642 535649956 /nfs/dbraw/zinc/64/99/56/535649956.db2.gz QHELHGGGKXEEEH-DOTOQJQBSA-N 0 3 306.381 2.353 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](C)(CNC(=O)CN(CC)CC)C1 ZINC001358850175 1152504081 /nfs/dbraw/zinc/50/40/81/1152504081.db2.gz CZPDGXJOYKKUGN-GOSISDBHSA-N 0 3 323.481 2.039 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(C#N)c(OC)c1)C2 ZINC000375585376 536841275 /nfs/dbraw/zinc/84/12/75/536841275.db2.gz UEFJMDDZGKOXCU-YJBOKZPZSA-N 0 3 314.385 2.342 20 30 DEEDHN CC1(C)CNCCN1C(=O)c1cccc(C#N)c1Br ZINC001576482117 1174488345 /nfs/dbraw/zinc/48/83/45/1174488345.db2.gz MKBXLWUQNKDLSN-UHFFFAOYSA-N 0 3 322.206 2.145 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC1(O)CCC1 ZINC001369744749 1149134811 /nfs/dbraw/zinc/13/48/11/1149134811.db2.gz FBKVNIIOAMXVEO-UONOGXRCSA-N 0 3 314.857 2.403 20 30 DEEDHN CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccccc1)[N+](=O)[O-] ZINC000835062613 649873902 /nfs/dbraw/zinc/87/39/02/649873902.db2.gz DRGGPPSGBOFQSO-LBPRGKRZSA-N 0 3 303.318 2.169 20 30 DEEDHN C[C@@H](CN(C)C(=O)Cc1ccco1)NCc1ccc(C#N)s1 ZINC001379273085 1152600384 /nfs/dbraw/zinc/60/03/84/1152600384.db2.gz WOEXISFQNUUGEX-LBPRGKRZSA-N 0 3 317.414 2.392 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccns2)C1 ZINC001327905880 1148673948 /nfs/dbraw/zinc/67/39/48/1148673948.db2.gz ROZYEWPQFFHOFC-DZGCQCFKSA-N 0 3 305.447 2.273 20 30 DEEDHN C#CCCCCC(=O)N1CCC2(CO[C@@H](CNCCF)C2)CC1 ZINC001330541534 1149185734 /nfs/dbraw/zinc/18/57/34/1149185734.db2.gz CWXQQYQWSXBDHM-MRXNPFEDSA-N 0 3 324.440 2.137 20 30 DEEDHN C=CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819743330 599635766 /nfs/dbraw/zinc/63/57/66/599635766.db2.gz GXEIFUWWMLBKHE-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819743330 599635767 /nfs/dbraw/zinc/63/57/67/599635767.db2.gz GXEIFUWWMLBKHE-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819743330 599635768 /nfs/dbraw/zinc/63/57/68/599635768.db2.gz GXEIFUWWMLBKHE-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=CC[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819743330 599635769 /nfs/dbraw/zinc/63/57/69/599635769.db2.gz GXEIFUWWMLBKHE-UHFFFAOYSA-N 0 3 314.393 2.092 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)[C@H](CC)N(C)C)CCC[C@H]12 ZINC001379617470 1152654339 /nfs/dbraw/zinc/65/43/39/1152654339.db2.gz FFTJXMRLAYFLHZ-OFQRWUPVSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(C)C[N@@H+](CC)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823878064 607920317 /nfs/dbraw/zinc/92/03/17/607920317.db2.gz NFUMFLWQNBULEA-UHFFFAOYSA-N 0 3 315.377 2.051 20 30 DEEDHN C=C(C)C[N@H+](CC)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823878064 607920318 /nfs/dbraw/zinc/92/03/18/607920318.db2.gz NFUMFLWQNBULEA-UHFFFAOYSA-N 0 3 315.377 2.051 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001023510928 625303556 /nfs/dbraw/zinc/30/35/56/625303556.db2.gz UCPKJAAQTFSFJB-CYBMUJFWSA-N 0 3 322.840 2.192 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001023530357 625310485 /nfs/dbraw/zinc/31/04/85/625310485.db2.gz OFOOICGWMFPEKP-KGLIPLIRSA-N 0 3 319.405 2.154 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001025267516 625314686 /nfs/dbraw/zinc/31/46/86/625314686.db2.gz PXFMHTPHYOWWJY-KBPBESRZSA-N 0 3 306.385 2.194 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001023548183 625321659 /nfs/dbraw/zinc/32/16/59/625321659.db2.gz DALOATYVNDIFNH-CABCVRRESA-N 0 3 312.413 2.258 20 30 DEEDHN COc1ccc(CN2CCC[C@@H]([C@@H](C)NC(C)=O)C2)cc1C#N ZINC001025305509 625333157 /nfs/dbraw/zinc/33/31/57/625333157.db2.gz YLGJQFCRSWNKQD-CZUORRHYSA-N 0 3 315.417 2.303 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CCN1Cc1ccc(C#N)cc1 ZINC000947297125 625344796 /nfs/dbraw/zinc/34/47/96/625344796.db2.gz 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/nfs/dbraw/zinc/50/35/25/624503525.db2.gz AZBHJMPZEOMYAZ-INIZCTEOSA-N 0 3 310.401 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001022232905 624515056 /nfs/dbraw/zinc/51/50/56/624515056.db2.gz TZJFBDQCYAANRB-TXEJJXNPSA-N 0 3 312.772 2.437 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001022236343 624516559 /nfs/dbraw/zinc/51/65/59/624516559.db2.gz HRCGFBZVUWGLHQ-TXEJJXNPSA-N 0 3 304.781 2.166 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001027652319 634392373 /nfs/dbraw/zinc/39/23/73/634392373.db2.gz PXBXTYMFIOXRJV-MRXNPFEDSA-N 0 3 301.434 2.383 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000998748970 634395270 /nfs/dbraw/zinc/39/52/70/634395270.db2.gz YLPJVLZOKQDJJJ-GOEBONIOSA-N 0 3 315.417 2.244 20 30 DEEDHN CCOCCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000176092705 624624597 /nfs/dbraw/zinc/62/45/97/624624597.db2.gz JAZMEBCXGMIZLS-GFCCVEGCSA-N 0 3 304.346 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001022436219 624660324 /nfs/dbraw/zinc/66/03/24/624660324.db2.gz IMGSQMLTPVWNIG-OKILXGFUSA-N 0 3 316.792 2.233 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001022469227 624680969 /nfs/dbraw/zinc/68/09/69/624680969.db2.gz XMGQBDRANXFVHH-LXTVHRRPSA-N 0 3 312.841 2.323 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000971897084 624697421 /nfs/dbraw/zinc/69/74/21/624697421.db2.gz WPIQOXULNCVTRG-QGZVFWFLSA-N 0 3 310.401 2.205 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc3c2CCOC3)C1 ZINC000971924702 624719132 /nfs/dbraw/zinc/71/91/32/624719132.db2.gz HRUYEQURPGTOJM-OAHLLOKOSA-N 0 3 300.402 2.092 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC000971964950 624737909 /nfs/dbraw/zinc/73/79/09/624737909.db2.gz UNBPNWRCGSCQAV-DZGCQCFKSA-N 0 3 300.402 2.342 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)C)C[C@H]1C ZINC000947488654 624800489 /nfs/dbraw/zinc/80/04/89/624800489.db2.gz 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ZINC000978814656 634432812 /nfs/dbraw/zinc/43/28/12/634432812.db2.gz BENFMNASOZPDBB-QCODTGAPSA-N 0 3 314.454 2.087 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccccc3C)[C@@H]2C1 ZINC000978835347 634435521 /nfs/dbraw/zinc/43/55/21/634435521.db2.gz DSUFJZZBMSTRRW-XCDZQEORSA-N 0 3 308.425 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(OC)cccc2OC)C1 ZINC001023018954 625136738 /nfs/dbraw/zinc/13/67/38/625136738.db2.gz VBKCRZPDXOIYPO-TXEJJXNPSA-N 0 3 324.808 2.307 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(Cl)cn2CC)C1 ZINC001027683637 634437851 /nfs/dbraw/zinc/43/78/51/634437851.db2.gz MRNVCOVHVKNXGU-AWEZNQCLSA-N 0 3 307.825 2.331 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C[C@H]1C ZINC000947542983 625171083 /nfs/dbraw/zinc/17/10/83/625171083.db2.gz PLESUILWXMLTGU-HIFRSBDPSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC000972529943 625190421 /nfs/dbraw/zinc/19/04/21/625190421.db2.gz SUCCFOSPTJCTQK-SECBINFHSA-N 0 3 317.220 2.059 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(Cl)cnn2CC)C1 ZINC001023388847 625249779 /nfs/dbraw/zinc/24/97/79/625249779.db2.gz REPXWIRXFAWXFT-CYBMUJFWSA-N 0 3 322.840 2.022 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)COC1CCCC1 ZINC001025205696 625261667 /nfs/dbraw/zinc/26/16/67/625261667.db2.gz WKUZGHQQBHYMRE-ZWKOTPCHSA-N 0 3 318.461 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnn3ccc(C)cc23)C1 ZINC001023431002 625264883 /nfs/dbraw/zinc/26/48/83/625264883.db2.gz XIXIJWDVMMDEFZ-INIZCTEOSA-N 0 3 324.428 2.108 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC001024459111 625783339 /nfs/dbraw/zinc/78/33/39/625783339.db2.gz NOWOSQGZPAAGLY-OAHLLOKOSA-N 0 3 302.422 2.072 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1CC ZINC001024491824 625813841 /nfs/dbraw/zinc/81/38/41/625813841.db2.gz GDWOVIHBLYOEKN-CQSZACIVSA-N 0 3 304.438 2.143 20 30 DEEDHN C#CCSCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000892497897 625902631 /nfs/dbraw/zinc/90/26/31/625902631.db2.gz ZXCNQXZBOXHBPH-GFCCVEGCSA-N 0 3 316.382 2.099 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](OC)C2CCCCC2)C1 ZINC001027708621 634470746 /nfs/dbraw/zinc/47/07/46/634470746.db2.gz UZCPRPCMCJQPDY-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c4ccc(C)cc34)[C@@H]2C1 ZINC000979091924 634496991 /nfs/dbraw/zinc/49/69/91/634496991.db2.gz SKNHSPBQRRVBCG-XGBSXSJOSA-N 0 3 307.397 2.017 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC000999298852 634554916 /nfs/dbraw/zinc/55/49/16/634554916.db2.gz MTDBZLALZLHXRB-UHFFFAOYSA-N 0 3 323.824 2.346 20 30 DEEDHN CC[C@@H](F)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000999911468 634704334 /nfs/dbraw/zinc/70/43/34/634704334.db2.gz TYDIRJYRSXQQAP-SMDDNHRTSA-N 0 3 309.410 2.448 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)cn3)C[C@@H]2C1 ZINC000979660754 634728851 /nfs/dbraw/zinc/72/88/51/634728851.db2.gz RMNPFQVQCHWTNI-BFHYXJOUSA-N 0 3 322.840 2.003 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccc(C)n3C)CC2)CC1 ZINC001000081494 634735311 /nfs/dbraw/zinc/73/53/11/634735311.db2.gz YTQUAFXMPRTNRU-UHFFFAOYSA-N 0 3 313.445 2.331 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](N[C@@H](C)c3n[nH]c(C)n3)C2)C1 ZINC001000138360 634764117 /nfs/dbraw/zinc/76/41/17/634764117.db2.gz SZOLWCCFSCJDMF-GXTWGEPZSA-N 0 3 317.437 2.111 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cn(C(C)C)cn3)CC2)CC1 ZINC001000225346 634802348 /nfs/dbraw/zinc/80/23/48/634802348.db2.gz YLGHLNJQRRYQNL-UHFFFAOYSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cccc4n[nH]cc43)CC2)CC1 ZINC001000228170 634805231 /nfs/dbraw/zinc/80/52/31/634805231.db2.gz PMCUKXCUMJUPMB-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc4n[nH]cc4c3)CC2)CC1 ZINC001000246377 634825624 /nfs/dbraw/zinc/82/56/24/634825624.db2.gz YIWLNQAQZCYCIX-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ocnc3CC)CC2)CC1 ZINC001000257619 634829017 /nfs/dbraw/zinc/82/90/17/634829017.db2.gz VKBAVJZPLCAQQM-UHFFFAOYSA-N 0 3 315.417 2.235 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001024689265 630691723 /nfs/dbraw/zinc/69/17/23/630691723.db2.gz DHCNACPTWQDPQS-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001024711163 632941529 /nfs/dbraw/zinc/94/15/29/632941529.db2.gz GVGPXDBJSQOFFA-LBPRGKRZSA-N 0 3 321.446 2.007 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974581966 633163354 /nfs/dbraw/zinc/16/33/54/633163354.db2.gz IRAZWHCJFXHRBE-CZUORRHYSA-N 0 3 316.449 2.232 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC000996233703 633214512 /nfs/dbraw/zinc/21/45/12/633214512.db2.gz KYHSNIVWSCSICB-GUYCJALGSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCc3nccn32)C(C)(C)C1 ZINC000974670144 633214624 /nfs/dbraw/zinc/21/46/24/633214624.db2.gz GVXZSWXDOSYMKX-CABCVRRESA-N 0 3 316.449 2.163 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001015957342 633265958 /nfs/dbraw/zinc/26/59/58/633265958.db2.gz 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633331635 /nfs/dbraw/zinc/33/16/35/633331635.db2.gz JXOFMHVVSHJOIS-GOSISDBHSA-N 0 3 319.408 2.457 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001026988770 633334095 /nfs/dbraw/zinc/33/40/95/633334095.db2.gz OQKJSWNSECHSAW-LBPRGKRZSA-N 0 3 308.451 2.079 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)C(C)(C)C1 ZINC000974888135 633356543 /nfs/dbraw/zinc/35/65/43/633356543.db2.gz BFFNZKZEAQUPTQ-QGZVFWFLSA-N 0 3 314.429 2.177 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(C3CC3)CCOCC2)C(C)(C)C1 ZINC000974897019 633362310 /nfs/dbraw/zinc/36/23/10/633362310.db2.gz PMDDLZURDFYYOI-MRXNPFEDSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CNCc2nccn2CC)C1 ZINC001027037852 633371274 /nfs/dbraw/zinc/37/12/74/633371274.db2.gz CSGQZJVZFKILDB-YJBOKZPZSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C(C)(C)C1 ZINC000974978993 633382068 /nfs/dbraw/zinc/38/20/68/633382068.db2.gz CAAWMHGYWHFMDO-IRXDYDNUSA-N 0 3 314.404 2.315 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3ccccn3c2)C(C)(C)C1 ZINC000975111172 633422434 /nfs/dbraw/zinc/42/24/34/633422434.db2.gz OPDHHKKXRQTYDS-QGZVFWFLSA-N 0 3 309.413 2.403 20 30 DEEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000125127080 633512815 /nfs/dbraw/zinc/51/28/15/633512815.db2.gz UJICKWOTNGCCFS-GFCCVEGCSA-N 0 3 324.296 2.259 20 30 DEEDHN C[C@H](OCc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125207548 633514964 /nfs/dbraw/zinc/51/49/64/633514964.db2.gz BNAZCLDIHOKDJT-DZGCQCFKSA-N 0 3 323.352 2.334 20 30 DEEDHN Cc1cnoc1C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000997145767 633625918 /nfs/dbraw/zinc/62/59/18/633625918.db2.gz NGOAYIZGYIZKSZ-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001027335235 633660177 /nfs/dbraw/zinc/66/01/77/633660177.db2.gz DPBYXUFINRUIRI-XJKSGUPXSA-N 0 3 303.381 2.408 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027335340 633660465 /nfs/dbraw/zinc/66/04/65/633660465.db2.gz GBRGPAIQMDNEHN-RHSMWYFYSA-N 0 3 310.401 2.141 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nc(C)sc2C)CC1 ZINC000997168232 633662626 /nfs/dbraw/zinc/66/26/26/633662626.db2.gz DEKNQULJUKDMLQ-LLVKDONJSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000997191290 633675661 /nfs/dbraw/zinc/67/56/61/633675661.db2.gz QZYWVFBDDABZMY-CQSZACIVSA-N 0 3 316.449 2.102 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(CCC)n[nH]2)CC1 ZINC000997251874 633684915 /nfs/dbraw/zinc/68/49/15/633684915.db2.gz GANRJBKKLJGDLH-CQSZACIVSA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2snnc2C(C)C)CC1 ZINC000997361716 633714801 /nfs/dbraw/zinc/71/48/01/633714801.db2.gz HMQZOGWULQBAIC-GFCCVEGCSA-N 0 3 320.462 2.125 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cn(CCC)nc2C)CC1 ZINC000997365609 633716709 /nfs/dbraw/zinc/71/67/09/633716709.db2.gz RCYAZPDAEIBROB-CQSZACIVSA-N 0 3 316.449 2.065 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027407661 633745610 /nfs/dbraw/zinc/74/56/10/633745610.db2.gz WBCUUUJOMOXMFO-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027404522 633746071 /nfs/dbraw/zinc/74/60/71/633746071.db2.gz BKPFLTFOXPESEL-INIZCTEOSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2oc(CCC)nc2C)CC1 ZINC000997389774 633752629 /nfs/dbraw/zinc/75/26/29/633752629.db2.gz JDBCADGGYWFYNG-CYBMUJFWSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001027414512 633753868 /nfs/dbraw/zinc/75/38/68/633753868.db2.gz QVMDRZSNDMOYGB-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cccc3cnccc32)C1 ZINC001027463126 633826921 /nfs/dbraw/zinc/82/69/21/633826921.db2.gz SCRRJWMPUHGRNU-SFHVURJKSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OCC=C)cc2)C1 ZINC001027468621 633840464 /nfs/dbraw/zinc/84/04/64/633840464.db2.gz MJLWTNCNJCYKNE-QGZVFWFLSA-N 0 3 312.413 2.421 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3ncccc32)C1 ZINC001027513300 633949858 /nfs/dbraw/zinc/94/98/58/633949858.db2.gz JNOZJCOSHPZRPD-OAHLLOKOSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ncsc2C2CC2)CC1 ZINC000997747823 633961974 /nfs/dbraw/zinc/96/19/74/633961974.db2.gz CBDCJASHNCICDG-LBPRGKRZSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccsc3[nH]2)C1 ZINC001027514958 633964118 /nfs/dbraw/zinc/96/41/18/633964118.db2.gz SQOCGSVXCSTAKH-ZDUSSCGKSA-N 0 3 301.415 2.399 20 30 DEEDHN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C(C)(C)C1 ZINC000977452188 633992260 /nfs/dbraw/zinc/99/22/60/633992260.db2.gz QZNHZOJDYGRGRB-DLBZAZTESA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC000997826899 634001746 /nfs/dbraw/zinc/00/17/46/634001746.db2.gz SYXHXDMRJGQLGS-ZDUSSCGKSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000997826899 634001752 /nfs/dbraw/zinc/00/17/52/634001752.db2.gz SYXHXDMRJGQLGS-ZDUSSCGKSA-N 0 3 316.449 2.305 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(CC3CC3)c2)C(C)(C)C1 ZINC000977488343 634006806 /nfs/dbraw/zinc/00/68/06/634006806.db2.gz SAORKZOEQMLQBF-MRXNPFEDSA-N 0 3 316.449 2.309 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(OC)c2)C(C)(C)C1 ZINC000977526102 634027404 /nfs/dbraw/zinc/02/74/04/634027404.db2.gz XASDUUUVFBHWCF-MRXNPFEDSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)cc2F)C(C)(C)C1 ZINC000977571290 634041719 /nfs/dbraw/zinc/04/17/19/634041719.db2.gz IWRLAKQOTREHJN-HNNXBMFYSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cncs2)CC1 ZINC000997951898 634073884 /nfs/dbraw/zinc/07/38/84/634073884.db2.gz AEUPPDBPCCEVLU-CQSZACIVSA-N 0 3 305.447 2.483 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2csnc2C)CC1 ZINC000997975372 634088985 /nfs/dbraw/zinc/08/89/85/634088985.db2.gz IWWYHMBFIBPHLZ-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)C(C)(C)C1 ZINC000977665581 634092690 /nfs/dbraw/zinc/09/26/90/634092690.db2.gz XPDQBROQBPMRAP-JKSUJKDBSA-N 0 3 318.465 2.464 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CC23CCOCC3)C(C)(C)C1 ZINC000977669972 634094364 /nfs/dbraw/zinc/09/43/64/634094364.db2.gz JLTWSLZKAFWLJT-CABCVRRESA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2c(Cl)cnn2C)CC1 ZINC000998009378 634109652 /nfs/dbraw/zinc/10/96/52/634109652.db2.gz BYXKSTOUQMUMIK-CYBMUJFWSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccn3nccc23)CC1 ZINC000998048645 634124790 /nfs/dbraw/zinc/12/47/90/634124790.db2.gz BZNMGGJAQYYQOC-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000998069577 634131891 /nfs/dbraw/zinc/13/18/91/634131891.db2.gz DUHRUQDIBHLADO-KURKYZTESA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2coc(OC)n2)CC1 ZINC000998070106 634132130 /nfs/dbraw/zinc/13/21/30/634132130.db2.gz BJTVDNRVDUPGQJ-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)nn2CC)CC1 ZINC000998145147 634153820 /nfs/dbraw/zinc/15/38/20/634153820.db2.gz WCCNCDMFNJKZGS-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cn(C)nc2Cl)CC1 ZINC000998175867 634161403 /nfs/dbraw/zinc/16/14/03/634161403.db2.gz XWECZYMPYAAFLR-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CSC)CC[C@H]1C(F)(F)F ZINC000998216081 634170704 /nfs/dbraw/zinc/17/07/04/634170704.db2.gz DTBPQYJPIPNEBZ-GHMZBOCLSA-N 0 3 310.385 2.295 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccns2)CC[C@@H]1C(F)(F)F ZINC000998272775 634196795 /nfs/dbraw/zinc/19/67/95/634196795.db2.gz ZNJXBMMPQZBUQM-VHSXEESVSA-N 0 3 319.352 2.312 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccccc2F)C1 ZINC001027620076 634307103 /nfs/dbraw/zinc/30/71/03/634307103.db2.gz YBFVWYJEOJJJPQ-CABCVRRESA-N 0 3 302.393 2.485 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(F)cc(C)cc3F)[C@@H]2C1 ZINC000978438995 634314516 /nfs/dbraw/zinc/31/45/16/634314516.db2.gz CFAGDXHQVDJOKR-ZSOGYDGISA-N 0 3 318.367 2.204 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@]3(C)c3ccccc3)[C@@H]2C1 ZINC000978501228 634336247 /nfs/dbraw/zinc/33/62/47/634336247.db2.gz SVGPBNHKWINVFZ-ZFORQUDYSA-N 0 3 322.452 2.282 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccc(C)cc4[nH]3)[C@@H]2C1 ZINC000978531316 634345102 /nfs/dbraw/zinc/34/51/02/634345102.db2.gz GAVRNGKMJNZSGO-PHZGNYQRSA-N 0 3 307.397 2.017 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)c(Cl)c3F)[C@@H]2C1 ZINC000978525907 634349118 /nfs/dbraw/zinc/34/91/18/634349118.db2.gz VANWRZLLHMPCQF-ZSOGYDGISA-N 0 3 320.795 2.328 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cnco3)C[C@H]2C1 ZINC000980149033 634864208 /nfs/dbraw/zinc/86/42/08/634864208.db2.gz KZQMSICDRPIDDN-AVGNSLFASA-N 0 3 309.797 2.257 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]nc3C)C[C@@H]2C1 ZINC000980163992 634871594 /nfs/dbraw/zinc/87/15/94/634871594.db2.gz SLQSFYUBDYWDPJ-BFHYXJOUSA-N 0 3 322.840 2.301 20 30 DEEDHN C[C@@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)C(F)F ZINC000980278428 634928041 /nfs/dbraw/zinc/92/80/41/634928041.db2.gz GUCLTDFARKOOOI-NEPJUHHUSA-N 0 3 307.344 2.150 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000980300840 634939834 /nfs/dbraw/zinc/93/98/34/634939834.db2.gz VHDLMDQUUFBSIC-LBPRGKRZSA-N 0 3 318.808 2.462 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccc(OCC)cc2)C1 ZINC000980325424 634954162 /nfs/dbraw/zinc/95/41/62/634954162.db2.gz NIOANORGJYKUSG-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2nc3ccccc3o2)C1 ZINC000980370881 634973662 /nfs/dbraw/zinc/97/36/62/634973662.db2.gz ZFMOBWPQSWYNBB-AWEZNQCLSA-N 0 3 313.401 2.479 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC000980454622 635009499 /nfs/dbraw/zinc/00/94/99/635009499.db2.gz VLTLKQFGOLHAIK-AEFFLSMTSA-N 0 3 314.429 2.326 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc3onc(CC)c3c2)C1 ZINC000980491919 635022992 /nfs/dbraw/zinc/02/29/92/635022992.db2.gz YKQBFAJITKTMSR-CYBMUJFWSA-N 0 3 314.389 2.118 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2c(C)noc2Cl)C1 ZINC000980523137 635034102 /nfs/dbraw/zinc/03/41/02/635034102.db2.gz DHORGFVZAPNQHW-GFCCVEGCSA-N 0 3 311.813 2.288 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC000980529632 635038426 /nfs/dbraw/zinc/03/84/26/635038426.db2.gz CHAJUWWMPDOQQH-VQIMIIECSA-N 0 3 314.429 2.193 20 30 DEEDHN Cc1cnc(CNC[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)s1 ZINC000980573687 635047994 /nfs/dbraw/zinc/04/79/94/635047994.db2.gz CSABJGBZGQVHKK-DOMZBBRYSA-N 0 3 317.458 2.192 20 30 DEEDHN Cc1nc(C)c(CNC[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)o1 ZINC000980575240 635048820 /nfs/dbraw/zinc/04/88/20/635048820.db2.gz MVIDGXMQQJSOMY-MLGOLLRUSA-N 0 3 315.417 2.031 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccnc2OC(C)C)C1 ZINC000980574653 635049405 /nfs/dbraw/zinc/04/94/05/635049405.db2.gz WEYFTFPHWJZHQP-CQSZACIVSA-N 0 3 303.406 2.201 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccsc1COC ZINC001027969586 635116566 /nfs/dbraw/zinc/11/65/66/635116566.db2.gz QGIPBGXWDCZEFL-CYBMUJFWSA-N 0 3 306.431 2.112 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cccc4[nH]cnc43)CC2)CC1 ZINC001000293235 635131300 /nfs/dbraw/zinc/13/13/00/635131300.db2.gz BKXAZANADLZGLX-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN CCc1ccccc1CCN1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848679 635187833 /nfs/dbraw/zinc/18/78/33/635187833.db2.gz ADVUYFUDUCBPRW-MRXNPFEDSA-N 0 3 313.445 2.485 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC001028009997 635241478 /nfs/dbraw/zinc/24/14/78/635241478.db2.gz RFQVDBKGTWDVMD-GOSISDBHSA-N 0 3 322.412 2.090 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001028015511 635253030 /nfs/dbraw/zinc/25/30/30/635253030.db2.gz FRYKBLHSJKSLEJ-OAHLLOKOSA-N 0 3 302.422 2.172 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(F)cccc2OC)CC1 ZINC001000723725 635276779 /nfs/dbraw/zinc/27/67/79/635276779.db2.gz LXYFOXGIJJKADQ-UHFFFAOYSA-N 0 3 304.365 2.382 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC001000803992 635305127 /nfs/dbraw/zinc/30/51/27/635305127.db2.gz ACVDNPOCCKXSMD-UHFFFAOYSA-N 0 3 313.357 2.081 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2coc(C(F)(F)F)n2)CC1 ZINC001000906881 635337461 /nfs/dbraw/zinc/33/74/61/635337461.db2.gz PUCHZQZQASTIJO-UHFFFAOYSA-N 0 3 315.295 2.241 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2coc(-c3cccnc3)n2)CC1 ZINC001000907252 635337636 /nfs/dbraw/zinc/33/76/36/635337636.db2.gz QOSVLIQMNYCVAI-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001028050073 635369499 /nfs/dbraw/zinc/36/94/99/635369499.db2.gz XIXNQYQDIAXMLT-ZDUSSCGKSA-N 0 3 322.840 2.335 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028054120 635383352 /nfs/dbraw/zinc/38/33/52/635383352.db2.gz RSKQZKZVRKELSL-INIZCTEOSA-N 0 3 311.429 2.485 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2coc(C3CCC3)n2)CC1 ZINC001001349364 635470705 /nfs/dbraw/zinc/47/07/05/635470705.db2.gz KMVBPDDMLYGPKV-UHFFFAOYSA-N 0 3 301.390 2.490 20 30 DEEDHN 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CNC(=O)c1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000841492373 650506515 /nfs/dbraw/zinc/50/65/15/650506515.db2.gz IVVJQMXEGFLCIB-GOSISDBHSA-N 0 3 323.396 2.083 20 30 DEEDHN C[C@H]1[C@H](NCc2ccc(F)c(F)c2)CCN1C(=O)C#CC1CC1 ZINC000986281869 639868597 /nfs/dbraw/zinc/86/85/97/639868597.db2.gz STNHUFMWBNZSKT-YVEFUNNKSA-N 0 3 318.367 2.457 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H](NCCF)[C@H]2C)cc1 ZINC000986442219 639900882 /nfs/dbraw/zinc/90/08/82/639900882.db2.gz VEDNPSWUUOUWIN-CZUORRHYSA-N 0 3 306.381 2.414 20 30 DEEDHN N#Cc1ccc(NCCNCc2ccc(C(F)F)nc2)nc1 ZINC000897396205 639952901 /nfs/dbraw/zinc/95/29/01/639952901.db2.gz NAYLOAKEUUQKIV-UHFFFAOYSA-N 0 3 303.316 2.488 20 30 DEEDHN CCOc1ccc(C[NH2+]CCNc2ccc(C#N)cn2)c([O-])c1 ZINC000897398600 639959254 /nfs/dbraw/zinc/95/92/54/639959254.db2.gz JVYPRRYNUPTNBX-UHFFFAOYSA-N 0 3 312.373 2.259 20 30 DEEDHN C#CCCOc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000760451609 640194604 /nfs/dbraw/zinc/19/46/04/640194604.db2.gz NXBYJBHJKAMSQL-CQSZACIVSA-N 0 3 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C=C(C)CN1CCCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000989722293 641208948 /nfs/dbraw/zinc/20/89/48/641208948.db2.gz IGMJUZPFIQVUKI-UHFFFAOYSA-N 0 3 310.829 2.037 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769285418 641210120 /nfs/dbraw/zinc/21/01/20/641210120.db2.gz YYNNPLGZEZCJFN-GJZGRUSLSA-N 0 3 320.364 2.337 20 30 DEEDHN C=C(Cl)CN1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000989728869 641211137 /nfs/dbraw/zinc/21/11/37/641211137.db2.gz YLZVHFVTNRTYAG-HUUCEWRRSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000989748525 641212668 /nfs/dbraw/zinc/21/26/68/641212668.db2.gz JYHIOTZZJJLPIZ-UWVGGRQHSA-N 0 3 312.747 2.444 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000989791470 641232911 /nfs/dbraw/zinc/23/29/11/641232911.db2.gz JBYCEGHQHFZUDH-UHFFFAOYSA-N 0 3 302.422 2.022 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2cc(F)ccc2F)C1 ZINC000989831167 641244013 /nfs/dbraw/zinc/24/40/13/641244013.db2.gz IERSVVMYZLQIMI-WFASDCNBSA-N 0 3 306.356 2.110 20 30 DEEDHN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCCN1CCCCC1 ZINC000770416281 641367774 /nfs/dbraw/zinc/36/77/74/641367774.db2.gz VLHNTLQYTJHELD-KRWDZBQOSA-N 0 3 324.421 2.277 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1O ZINC000842153296 650660513 /nfs/dbraw/zinc/66/05/13/650660513.db2.gz RDUTXGHSCMPZDV-QGZVFWFLSA-N 0 3 312.369 2.438 20 30 DEEDHN C#CCOc1ccc(Br)cc1CN[C@H](CC)CO ZINC000041635084 641607332 /nfs/dbraw/zinc/60/73/32/641607332.db2.gz UJOLAVXAHPORPS-CYBMUJFWSA-N 0 3 312.207 2.322 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnn3CC(F)F)CCC[C@H]12 ZINC000990707231 641615862 /nfs/dbraw/zinc/61/58/62/641615862.db2.gz BQMCFIQAFDTABY-BBRMVZONSA-N 0 3 324.375 2.061 20 30 DEEDHN CCCN(C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000772424026 641639166 /nfs/dbraw/zinc/63/91/66/641639166.db2.gz CDNWSLBHJNMVIP-UHFFFAOYSA-N 0 3 302.422 2.384 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCSc2ccccc21 ZINC000842289771 650695886 /nfs/dbraw/zinc/69/58/86/650695886.db2.gz SWUBFHSGCCLSND-STQMWFEESA-N 0 3 300.383 2.253 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2C[C@@H]3COC[C@@H]3O2)c([O-])c1 ZINC000899226332 641996005 /nfs/dbraw/zinc/99/60/05/641996005.db2.gz QAVOSAHCVABSAR-HZGFHRMBSA-N 0 3 318.417 2.461 20 30 DEEDHN C=CCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899725196 642150827 /nfs/dbraw/zinc/15/08/27/642150827.db2.gz VMTSMGPWTRVBRJ-HNNXBMFYSA-N 0 3 306.479 2.005 20 30 DEEDHN N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000900520259 642396281 /nfs/dbraw/zinc/39/62/81/642396281.db2.gz QBGDMRBYFUJZHO-CQSZACIVSA-N 0 3 319.355 2.347 20 30 DEEDHN C=CCN1CCC(NC(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000900600724 642417648 /nfs/dbraw/zinc/41/76/48/642417648.db2.gz ZWMTVNRTHDUHLH-UHFFFAOYSA-N 0 3 319.355 2.417 20 30 DEEDHN C=CCOc1ccc(CNC2(C(=O)NC)CCCC2)cc1OC ZINC000779176893 642469723 /nfs/dbraw/zinc/46/97/23/642469723.db2.gz TWGSHDZJURUMAN-UHFFFAOYSA-N 0 3 318.417 2.408 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000900980175 642536007 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COC(=O)C12CC(C(=O)C(C#N)c3nc4ccccc4o3)(C1)C2 ZINC000842693072 650805861 /nfs/dbraw/zinc/80/58/61/650805861.db2.gz BQQBTUZAGNCQRJ-OSWGYVBTSA-N 0 3 310.309 2.347 20 30 DEEDHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cc(C#N)ccn3)C2)n(C)n1 ZINC000902972854 643215846 /nfs/dbraw/zinc/21/58/46/643215846.db2.gz JQHDQNOSDXEBFC-GOEBONIOSA-N 0 3 324.432 2.315 20 30 DEEDHN C[C@H](NC[C@@]1(CO)CCc2ccccc21)c1cc(C#N)ccn1 ZINC000903038915 643225788 /nfs/dbraw/zinc/22/57/88/643225788.db2.gz OFPRBXBDMAPOOD-IFXJQAMLSA-N 0 3 307.397 2.480 20 30 DEEDHN C[C@@H](NC[C@@]1(CO)CCc2ccccc21)c1cc(C#N)ccn1 ZINC000903038914 643225827 /nfs/dbraw/zinc/22/58/27/643225827.db2.gz OFPRBXBDMAPOOD-AUUYWEPGSA-N 0 3 307.397 2.480 20 30 DEEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1NCC1(C#N)CC1 ZINC000903105263 643251205 /nfs/dbraw/zinc/25/12/05/643251205.db2.gz BIFTZZULQQOWOE-IHRRRGAJSA-N 0 3 323.437 2.198 20 30 DEEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786538527 643381454 /nfs/dbraw/zinc/38/14/54/643381454.db2.gz NUHZLOMNLLTJAW-FZMZJTMJSA-N 0 3 322.792 2.338 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@H]2CCCCO2)c1 ZINC000786552072 643383078 /nfs/dbraw/zinc/38/30/78/643383078.db2.gz JRZRLBOKLJUPMH-HZPDHXFCSA-N 0 3 314.385 2.279 20 30 DEEDHN CS[C@H](C)CC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786548021 643383116 /nfs/dbraw/zinc/38/31/16/643383116.db2.gz GLIPULCUKWMRLN-OCCSQVGLSA-N 0 3 304.415 2.462 20 30 DEEDHN CS[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786562567 643385225 /nfs/dbraw/zinc/38/52/25/643385225.db2.gz JRAZFHCGJRXEQT-KCJUWKMLSA-N 0 3 312.341 2.041 20 30 DEEDHN N#CC(C(=O)Cc1ccco1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569681 643385952 /nfs/dbraw/zinc/38/59/52/643385952.db2.gz LMTLYIMXUKCUKX-LBPRGKRZSA-N 0 3 318.279 2.126 20 30 DEEDHN C[NH+](C)[C@H]1CCCC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000788432972 643607966 /nfs/dbraw/zinc/60/79/66/643607966.db2.gz INABWSLRHHXXQI-INIZCTEOSA-N 0 3 323.462 2.009 20 30 DEEDHN COC(=O)CCN1CCC(=NNCCCc2ccccc2)CC1 ZINC000788714049 643638392 /nfs/dbraw/zinc/63/83/92/643638392.db2.gz OVBQDGPWTILFCN-UHFFFAOYSA-N 0 3 317.433 2.224 20 30 DEEDHN COc1cc(F)cc(OC)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905083418 643778924 /nfs/dbraw/zinc/77/89/24/643778924.db2.gz DDJUICUFWZCMPF-KZSPTFSBSA-N 0 3 303.293 2.275 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)CC2(O)CCCCC2)cc1F ZINC000905279524 643855259 /nfs/dbraw/zinc/85/52/59/643855259.db2.gz JZPXVBSOCRGDDZ-OAHLLOKOSA-N 0 3 306.381 2.233 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)C[C@H](O)c2ccccc2)cc1F ZINC000905281409 643855962 /nfs/dbraw/zinc/85/59/62/643855962.db2.gz UCVFLZMOJXUYCF-AEFFLSMTSA-N 0 3 314.360 2.272 20 30 DEEDHN COCCN(C)c1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000790949430 643911677 /nfs/dbraw/zinc/91/16/77/643911677.db2.gz NIDINSOHKQUSQF-UHFFFAOYSA-N 0 3 310.401 2.326 20 30 DEEDHN N#CC(C(=O)CC1OCCCO1)C(=O)Nc1ccc(Cl)cc1 ZINC000793123218 644193636 /nfs/dbraw/zinc/19/36/36/644193636.db2.gz GLEDOSCADDOXAJ-GFCCVEGCSA-N 0 3 322.748 2.140 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1 ZINC000793393825 644245838 /nfs/dbraw/zinc/24/58/38/644245838.db2.gz ATALGVTWFSHLQU-AWEZNQCLSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCN(C(=O)c1ncccc1CSC)C1CCN(C)CC1 ZINC000906451992 644253973 /nfs/dbraw/zinc/25/39/73/644253973.db2.gz LQUZTGVZLAKZNK-UHFFFAOYSA-N 0 3 317.458 2.114 20 30 DEEDHN C#C[C@@H](NCCC(=O)N1CCCc2ccccc21)[C@H]1CCCO1 ZINC000794567866 644437657 /nfs/dbraw/zinc/43/76/57/644437657.db2.gz QEGQKLQYKHNILJ-SJLPKXTDSA-N 0 3 312.413 2.126 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000907141983 644455965 /nfs/dbraw/zinc/45/59/65/644455965.db2.gz JYEDLMUUHKMLJQ-CABCVRRESA-N 0 3 320.458 2.067 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000795584295 644601004 /nfs/dbraw/zinc/60/10/04/644601004.db2.gz PHWKSFIIEUPFMF-KBPBESRZSA-N 0 3 323.820 2.087 20 30 DEEDHN Cn1cc(C(=O)CCC(=O)C(C#N)c2nc3ccccc3o2)cn1 ZINC000796652691 644772498 /nfs/dbraw/zinc/77/24/98/644772498.db2.gz CPGCBIMXBRNCIN-LBPRGKRZSA-N 0 3 322.324 2.401 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3[nH]c(=O)c(C)cc3c2)CC1 ZINC000908460778 644867393 /nfs/dbraw/zinc/86/73/93/644867393.db2.gz WJEHUZRDYHICSL-UHFFFAOYSA-N 0 3 323.396 2.120 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1 ZINC000800384976 645265049 /nfs/dbraw/zinc/26/50/49/645265049.db2.gz OFQCKGJEJQYLQI-FAXLKDOZSA-N 0 3 300.358 2.456 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000803810462 645700046 /nfs/dbraw/zinc/70/00/46/645700046.db2.gz ZWKYPFZKNQIPBX-GOSISDBHSA-N 0 3 323.396 2.104 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000807621558 645971379 /nfs/dbraw/zinc/97/13/79/645971379.db2.gz FUZVIWGUFXZFFF-HKUYNNGSSA-N 0 3 323.440 2.318 20 30 DEEDHN Cc1cccc(CSCC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000129399220 645974489 /nfs/dbraw/zinc/97/44/89/645974489.db2.gz JFXNNHXLEPIDCM-AWEZNQCLSA-N 0 3 302.399 2.216 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)nc1 ZINC000807703796 645978512 /nfs/dbraw/zinc/97/85/12/645978512.db2.gz NKWWOGGJMUDWBF-KRWDZBQOSA-N 0 3 311.360 2.235 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)N[C@H](c3ccccc3)C2=O)CC1 ZINC000348873836 646177129 /nfs/dbraw/zinc/17/71/29/646177129.db2.gz CKXKLZFASPJLHZ-MRXNPFEDSA-N 0 3 313.401 2.320 20 30 DEEDHN CC(C)[C@@H](C(=O)N1CCC(c2ccc(C#N)cn2)CC1)N(C)C ZINC000912932137 646215687 /nfs/dbraw/zinc/21/56/87/646215687.db2.gz LGUUVIANXBHVMC-KRWDZBQOSA-N 0 3 314.433 2.245 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CCCSC1 ZINC000810530146 646372144 /nfs/dbraw/zinc/37/21/44/646372144.db2.gz WWVISULABYQRAN-KBPBESRZSA-N 0 3 302.399 2.155 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4c(c3)ncn4C)CCC[C@H]12 ZINC000991470069 646397859 /nfs/dbraw/zinc/39/78/59/646397859.db2.gz HMGCFGYUSHTWRB-PKOBYXMFSA-N 0 3 324.428 2.486 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3sccc32)C[C@H]1C ZINC000947323630 646459487 /nfs/dbraw/zinc/45/94/87/646459487.db2.gz LOVVKSKXLQOOSX-NEPJUHHUSA-N 0 3 316.430 2.460 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)C[C@H]1C ZINC000947739479 646512712 /nfs/dbraw/zinc/51/27/12/646512712.db2.gz ADVFIUZALYHXHS-RHSMWYFYSA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(OC(C)C)cn2)C[C@@H]1C ZINC000947315549 646549053 /nfs/dbraw/zinc/54/90/53/646549053.db2.gz VTFLWHBMWQENRB-UONOGXRCSA-N 0 3 318.421 2.033 20 30 DEEDHN N#Cc1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000840243916 646596930 /nfs/dbraw/zinc/59/69/30/646596930.db2.gz QXQHLYORTUSYLO-AWEZNQCLSA-N 0 3 304.369 2.148 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3nccnc3c2)C[C@@H]1C ZINC000948005953 646688671 /nfs/dbraw/zinc/68/86/71/646688671.db2.gz BFGNIZPFXIKPKO-ZFWWWQNUSA-N 0 3 310.401 2.399 20 30 DEEDHN COCCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218120 646747900 /nfs/dbraw/zinc/74/79/00/646747900.db2.gz SHRFGZLABNGLAT-LLVKDONJSA-N 0 3 316.279 2.330 20 30 DEEDHN C[C@@H]1CC[C@H](CCC(=O)C(C#N)C(=O)NCc2ccccc2)O1 ZINC000173954452 646784381 /nfs/dbraw/zinc/78/43/81/646784381.db2.gz GDDFWXFBYJPJAL-FVQBIDKESA-N 0 3 314.385 2.359 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000929512128 646845570 /nfs/dbraw/zinc/84/55/70/646845570.db2.gz ZKJHRVICKBITJK-RBUKOAKNSA-N 0 3 313.445 2.206 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccn(C)c3CC)CCC[C@@H]12 ZINC000992172868 646886239 /nfs/dbraw/zinc/88/62/39/646886239.db2.gz BQJBLLMXQPXGFZ-IEBWSBKVSA-N 0 3 313.445 2.338 20 30 DEEDHN CCC(=O)N[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000946938195 646915467 /nfs/dbraw/zinc/91/54/67/646915467.db2.gz YIHFLWORDNOFHH-GOEBONIOSA-N 0 3 315.417 2.468 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnn4ccccc34)CCC[C@@H]12 ZINC000992325984 646947691 /nfs/dbraw/zinc/94/76/91/646947691.db2.gz FVKNUJAYDWPYSE-SJLPKXTDSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)c3c(C)n[nH]c3C)CCC[C@@H]12 ZINC000992327900 646948923 /nfs/dbraw/zinc/94/89/23/646948923.db2.gz HUXDKMZMXBJUGK-CDHAZOANSA-N 0 3 316.449 2.429 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(OC)n3)CCC[C@H]12 ZINC000992367848 646960317 /nfs/dbraw/zinc/96/03/17/646960317.db2.gz IHJNJTKXWHQYMF-YOEHRIQHSA-N 0 3 301.390 2.003 20 30 DEEDHN Cc1noc(C[C@H](NCCOCCC#N)c2ccccc2)n1 ZINC000815102132 646969617 /nfs/dbraw/zinc/96/96/17/646969617.db2.gz FLORDZZRZBCTFV-HNNXBMFYSA-N 0 3 300.362 2.182 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4nccn4c3)CCC[C@H]12 ZINC000992398648 646970014 /nfs/dbraw/zinc/97/00/14/646970014.db2.gz AMOBMEJAOUPGJE-YJBOKZPZSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ncccc3OC)CCC[C@H]12 ZINC000992442307 647008046 /nfs/dbraw/zinc/00/80/46/647008046.db2.gz VJLSIKQDKHSSDI-WMLDXEAASA-N 0 3 301.390 2.003 20 30 DEEDHN CN(CCNC(=O)N1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000914332699 647267978 /nfs/dbraw/zinc/26/79/78/647267978.db2.gz CRPJLSZONWJLLZ-INIZCTEOSA-N 0 3 300.406 2.064 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993030083 647359643 /nfs/dbraw/zinc/35/96/43/647359643.db2.gz CWKIACZXOBVEPU-STQMWFEESA-N 0 3 308.451 2.395 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000818589321 647483082 /nfs/dbraw/zinc/48/30/82/647483082.db2.gz WHCMGLKQTDNZMK-UHFFFAOYSA-N 0 3 317.389 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000818589294 647483412 /nfs/dbraw/zinc/48/34/12/647483412.db2.gz VRTUGUAGQKTGGI-UHFFFAOYSA-N 0 3 302.422 2.142 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2CCCN(CC3CC(F)(F)C3)C2)[nH]1 ZINC001007152840 647630981 /nfs/dbraw/zinc/63/09/81/647630981.db2.gz RFWLYVQVCHTTJO-ZDUSSCGKSA-N 0 3 322.359 2.126 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)[C@@H]1C ZINC000993447678 647675524 /nfs/dbraw/zinc/67/55/24/647675524.db2.gz WJUICVPKGMQABY-WCQYABFASA-N 0 3 322.840 2.232 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cnn3ccccc23)[C@H]1C ZINC000993448421 647675892 /nfs/dbraw/zinc/67/58/92/647675892.db2.gz YDZNPOAGMOMPJG-ZBFHGGJFSA-N 0 3 312.417 2.032 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2nc(C)sc2C)[C@H]1C ZINC000993491233 647686335 /nfs/dbraw/zinc/68/63/35/647686335.db2.gz WDABRIVUIQEWSQ-BXUZGUMPSA-N 0 3 307.463 2.458 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CCF)c2)[C@H]1C ZINC000993519502 647688392 /nfs/dbraw/zinc/68/83/92/647688392.db2.gz KMGQLULDPLWDAQ-UKRRQHHQSA-N 0 3 308.401 2.011 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3nccn32)[C@H]1C ZINC000993597136 647712020 /nfs/dbraw/zinc/71/20/20/647712020.db2.gz GHAZLLFFYHRLSN-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3ccccc3nn2)[C@@H]1C ZINC000993652286 647717624 /nfs/dbraw/zinc/71/76/24/647717624.db2.gz XDHMPRMZLRXXMZ-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn(C)c2CC)[C@H]1C ZINC000993813372 647748427 /nfs/dbraw/zinc/74/84/27/647748427.db2.gz GXISVWOUERNSLB-GDBMZVCRSA-N 0 3 301.434 2.194 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccncc2Cl)[C@H]1C ZINC000993818881 647748853 /nfs/dbraw/zinc/74/88/53/647748853.db2.gz NLJARQGOYZDTGL-DOMZBBRYSA-N 0 3 307.825 2.433 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H]1C ZINC000993817524 647748894 /nfs/dbraw/zinc/74/88/94/647748894.db2.gz BVMAOXQVLSPISF-UONOGXRCSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnnc3ccccc32)[C@@H]1C ZINC000993867219 647761426 /nfs/dbraw/zinc/76/14/26/647761426.db2.gz XJMPWMMVNLTOLW-YOEHRIQHSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3cccnn32)[C@@H]1C ZINC000993935920 647764697 /nfs/dbraw/zinc/76/46/97/647764697.db2.gz DBGBTCWKQRESTN-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OCC#C)cc2)[C@@H]1C ZINC000993940532 647770479 /nfs/dbraw/zinc/77/04/79/647770479.db2.gz YVVWDYUTCLJMTI-QFBILLFUSA-N 0 3 324.424 2.305 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CC)c2C)[C@H]1C ZINC000994063238 647783298 /nfs/dbraw/zinc/78/32/98/647783298.db2.gz SCAJKBCRRDYOMU-GDBMZVCRSA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@H]1C ZINC000994113598 647794056 /nfs/dbraw/zinc/79/40/56/647794056.db2.gz MGVLFFLJDYKIDX-CJNGLKHVSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(C(C)C)c2C)[C@H]1C ZINC000994206089 647805286 /nfs/dbraw/zinc/80/52/86/647805286.db2.gz QDRXDAGIMDRWDG-WBVHZDCISA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c[nH]c3cccnc32)[C@H]1C ZINC000994217731 647806580 /nfs/dbraw/zinc/80/65/80/647806580.db2.gz XKZGGRNKBWKWOG-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000733053179 647814502 /nfs/dbraw/zinc/81/45/02/647814502.db2.gz WRNGRBPIZLGYDW-MCIONIFRSA-N 0 3 315.373 2.324 20 30 DEEDHN C#C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(F)cc1 ZINC000820489631 647855063 /nfs/dbraw/zinc/85/50/63/647855063.db2.gz HLFMFAFKUBPKLZ-DLBZAZTESA-N 0 3 313.376 2.156 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnccc2N(C)C)[C@@H]1C ZINC000994268350 647888895 /nfs/dbraw/zinc/88/88/95/647888895.db2.gz MCNCSYCVAUDQEP-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC000994329853 647911752 /nfs/dbraw/zinc/91/17/52/647911752.db2.gz QAAXAMDTLMFNQT-PBHICJAKSA-N 0 3 302.393 2.361 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2c(C)noc2C)[C@H]1C ZINC000994385805 647935463 /nfs/dbraw/zinc/93/54/63/647935463.db2.gz IMIUVFZYPRTSRA-CZUORRHYSA-N 0 3 305.422 2.379 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@@H]1C ZINC000994410298 647943652 /nfs/dbraw/zinc/94/36/52/647943652.db2.gz SIDMZQOZMATGLZ-WFASDCNBSA-N 0 3 315.417 2.045 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ncc3n2CCCC3)[C@H]1C ZINC000994441291 647949685 /nfs/dbraw/zinc/94/96/85/647949685.db2.gz MPMOJXGQQTWJAA-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCSCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000154247194 647953055 /nfs/dbraw/zinc/95/30/55/647953055.db2.gz WXEDVXJUOKBUHK-HNNXBMFYSA-N 0 3 319.474 2.173 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)[C@H]1C ZINC000994446962 647953405 /nfs/dbraw/zinc/95/34/05/647953405.db2.gz APTDPNFCJONAPF-TZMCWYRMSA-N 0 3 324.856 2.308 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2([C@@H]3CCCCO3)CC2)CC1 ZINC000917142063 647975448 /nfs/dbraw/zinc/97/54/48/647975448.db2.gz OAXZJQYADCMGLW-HNNXBMFYSA-N 0 3 307.438 2.038 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCn1cc(Cl)cn1 ZINC000917425717 648001015 /nfs/dbraw/zinc/00/10/15/648001015.db2.gz ZPIXVVHWMQQKPJ-ZDUSSCGKSA-N 0 3 324.812 2.332 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ncccc2OCC)[C@@H]1C ZINC000994538890 648031698 /nfs/dbraw/zinc/03/16/98/648031698.db2.gz HHAOKYVUJPCTAQ-LSDHHAIUSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCC[C@H](SC)C1)C1CCN(C)CC1 ZINC000919225529 648135828 /nfs/dbraw/zinc/13/58/28/648135828.db2.gz ISJLIVKMTROHGP-HOCLYGCPSA-N 0 3 323.506 2.400 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 ZINC000949024610 648216787 /nfs/dbraw/zinc/21/67/87/648216787.db2.gz JQXLPJKODSBDQS-QGZVFWFLSA-N 0 3 316.445 2.059 20 30 DEEDHN C#CCN(C(=O)NCC(C1CC1)C1CC1)C1CCN(C)CC1 ZINC000920802306 648255881 /nfs/dbraw/zinc/25/58/81/648255881.db2.gz CXAKVSHVKGNEBK-UHFFFAOYSA-N 0 3 303.450 2.162 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(OCC)c2)C[C@@H]1C ZINC000948070156 648329328 /nfs/dbraw/zinc/32/93/28/648329328.db2.gz MVNSMVSIYMMVCP-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc(C)oc1C)CCO2 ZINC000949027295 648329502 /nfs/dbraw/zinc/32/95/02/648329502.db2.gz RPFZWQPABVSBMS-UHFFFAOYSA-N 0 3 318.417 2.389 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNCC[C@](C)(O)COC ZINC000824559618 648610443 /nfs/dbraw/zinc/61/04/43/648610443.db2.gz WYAKNAFOKOJZSE-INIZCTEOSA-N 0 3 311.809 2.229 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCOC[C@H]1OC ZINC000824709294 648640396 /nfs/dbraw/zinc/64/03/96/648640396.db2.gz OVVLBACPGZTTTA-SUMWQHHRSA-N 0 3 323.820 2.493 20 30 DEEDHN C=CCC[C@H](CO)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000825168011 648716252 /nfs/dbraw/zinc/71/62/52/648716252.db2.gz BIJSRBAZUREDCS-GFCCVEGCSA-N 0 3 308.813 2.347 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2scc3c2OCCO3)C[C@@H]1C ZINC000947887323 648821837 /nfs/dbraw/zinc/82/18/37/648821837.db2.gz VNVWLPPRNADBKM-NWDGAFQWSA-N 0 3 322.430 2.288 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCOCC2)C(C)(C)C1 ZINC000940713686 648931223 /nfs/dbraw/zinc/93/12/23/648931223.db2.gz ZXIMNTWEMLITEM-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OCC)nc2)C(C)(C)C1 ZINC000940786232 648941256 /nfs/dbraw/zinc/94/12/56/648941256.db2.gz UXNYJMUQGVTHPF-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C3CC3)nn2C)C(C)(C)C1 ZINC000940773685 648943275 /nfs/dbraw/zinc/94/32/75/648943275.db2.gz GACKORQYWAOIMD-MRXNPFEDSA-N 0 3 316.449 2.314 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)C(C)(C)C1 ZINC000940801216 648945074 /nfs/dbraw/zinc/94/50/74/648945074.db2.gz PWSORNXQCJGVPR-CABCVRRESA-N 0 3 316.449 2.163 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cc(=O)oc2C)C(C)(C)C1 ZINC000940878707 648961258 /nfs/dbraw/zinc/96/12/58/648961258.db2.gz HOXRUXCZGQPFNX-AWEZNQCLSA-N 0 3 318.417 2.273 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C(C)(C)C1 ZINC000941052876 648991781 /nfs/dbraw/zinc/99/17/81/648991781.db2.gz VUKABEXPFBKXPW-HNNXBMFYSA-N 0 3 302.422 2.303 20 30 DEEDHN C#C[C@H](NCc1c(C)nn(-c2ccccn2)c1C)C1CCOCC1 ZINC000827559411 649051116 /nfs/dbraw/zinc/05/11/16/649051116.db2.gz FIGKAXCCPRTILD-SFHVURJKSA-N 0 3 324.428 2.402 20 30 DEEDHN C#C[C@H](NCc1ccccc1OCCOC)C1CCOCC1 ZINC000827566447 649052050 /nfs/dbraw/zinc/05/20/50/649052050.db2.gz VLWVHCAWCYXBFK-KRWDZBQOSA-N 0 3 303.402 2.230 20 30 DEEDHN C#C[C@@H](NCc1ccccc1OCCOC)C1CCOCC1 ZINC000827566448 649052064 /nfs/dbraw/zinc/05/20/64/649052064.db2.gz VLWVHCAWCYXBFK-QGZVFWFLSA-N 0 3 303.402 2.230 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c3ccccc3nn2C)C[C@@H]1C ZINC000947895323 649054187 /nfs/dbraw/zinc/05/41/87/649054187.db2.gz KQECECPDKOZIOK-KBPBESRZSA-N 0 3 312.417 2.342 20 30 DEEDHN C#Cc1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1 ZINC000828025050 649122726 /nfs/dbraw/zinc/12/27/26/649122726.db2.gz BLYCVTQMMIKGAT-SFHVURJKSA-N 0 3 322.412 2.161 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](C)C1 ZINC000942053012 649143246 /nfs/dbraw/zinc/14/32/46/649143246.db2.gz JANBVARJTNMKGH-YOEHRIQHSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H](C)C1 ZINC000942089551 649153767 /nfs/dbraw/zinc/15/37/67/649153767.db2.gz ZEHRUEJVURSBOY-GJZGRUSLSA-N 0 3 304.438 2.165 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2OCC=C)[C@H](C)C1 ZINC000942192964 649180416 /nfs/dbraw/zinc/18/04/16/649180416.db2.gz PYWBESZBOZSBBF-WBVHZDCISA-N 0 3 312.413 2.325 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)[C@H](C)C1 ZINC000942196544 649180992 /nfs/dbraw/zinc/18/09/92/649180992.db2.gz QZXVIJUTPKAFLD-UKRRQHHQSA-N 0 3 312.417 2.200 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2F)[C@@H](C)C1 ZINC000942273936 649197073 /nfs/dbraw/zinc/19/70/73/649197073.db2.gz VSZNHNIVWSQKBK-BLLLJJGKSA-N 0 3 306.381 2.461 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn3ccccc23)[C@@H](C)C1 ZINC000942442828 649220314 /nfs/dbraw/zinc/22/03/14/649220314.db2.gz ARVXKJVEXKMVAV-RDJZCZTQSA-N 0 3 309.413 2.403 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2onc3c2CCCC3)[C@H](C)C1 ZINC000942485249 649227596 /nfs/dbraw/zinc/22/75/96/649227596.db2.gz GRHVWCJDCJTKDD-TZMCWYRMSA-N 0 3 303.406 2.180 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2onc3c2CCCC3)[C@@H](C)C1 ZINC000942484986 649227606 /nfs/dbraw/zinc/22/76/06/649227606.db2.gz DUUIVVBRIBVTNG-ZFWWWQNUSA-N 0 3 315.417 2.017 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)[C@@H](C)C1 ZINC000942518478 649231345 /nfs/dbraw/zinc/23/13/45/649231345.db2.gz SCENHAOGKRDBEH-HOCLYGCPSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@@H](C)C1 ZINC000942536257 649237191 /nfs/dbraw/zinc/23/71/91/649237191.db2.gz WKJJPYQQOHSASV-GUYCJALGSA-N 0 3 311.429 2.341 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2Cl)[C@H](C)C1 ZINC000942541000 649240024 /nfs/dbraw/zinc/24/00/24/649240024.db2.gz SZOWGMNWFLBKCH-PWSUYJOCSA-N 0 3 310.829 2.008 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@@H](C)C1 ZINC000942594219 649255598 /nfs/dbraw/zinc/25/55/98/649255598.db2.gz FQWYNMNOICNFQU-YOEHRIQHSA-N 0 3 307.397 2.308 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000942589334 649256490 /nfs/dbraw/zinc/25/64/90/649256490.db2.gz WTWGQKYPWNNUET-PBHICJAKSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000829775248 649354396 /nfs/dbraw/zinc/35/43/96/649354396.db2.gz ZVDPPXCCDZIBNF-JKSUJKDBSA-N 0 3 314.429 2.435 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(C#N)ccc1F ZINC000829946435 649376393 /nfs/dbraw/zinc/37/63/93/649376393.db2.gz BOFOCJNTGWOVCZ-UHFFFAOYSA-N 0 3 315.348 2.494 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000943465462 649379385 /nfs/dbraw/zinc/37/93/85/649379385.db2.gz MKIZTUSPFUVOFW-DGCLKSJQSA-N 0 3 310.850 2.404 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@H](C)C1 ZINC000943516032 649387678 /nfs/dbraw/zinc/38/76/78/649387678.db2.gz JXKHZEVTHJKBNF-RHSMWYFYSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c(C)noc2Cl)[C@@H](C)C1 ZINC000943550604 649393889 /nfs/dbraw/zinc/39/38/89/649393889.db2.gz ZQAUMYCTXMGSDR-FZMZJTMJSA-N 0 3 323.824 2.029 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000943766376 649421731 /nfs/dbraw/zinc/42/17/31/649421731.db2.gz HYCREJGKEKLAHL-WMLDXEAASA-N 0 3 310.397 2.435 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)[C@@H](C)C1 ZINC000943797833 649427987 /nfs/dbraw/zinc/42/79/87/649427987.db2.gz JIMGUOKHBJIITD-GXTWGEPZSA-N 0 3 303.406 2.253 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)[C@@H](C)C1 ZINC000944017009 649471051 /nfs/dbraw/zinc/47/10/51/649471051.db2.gz RFOBITYXKZIZNE-UONOGXRCSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ncc(F)cc2F)CC1 ZINC000948546940 649489543 /nfs/dbraw/zinc/48/95/43/649489543.db2.gz MSDMXXHONAIXHQ-AWEZNQCLSA-N 0 3 321.371 2.310 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(s2)CCOC3)[C@@H](C)C1 ZINC000944214798 649498236 /nfs/dbraw/zinc/49/82/36/649498236.db2.gz NWSCARYZZXLWFB-JSGCOSHPSA-N 0 3 320.458 2.447 20 30 DEEDHN CCCCN(CC(=O)NCCC#N)[C@@H]1CCc2ncsc2C1 ZINC000830811399 649499092 /nfs/dbraw/zinc/49/90/92/649499092.db2.gz FVYVEXQTVGFYKA-CYBMUJFWSA-N 0 3 320.462 2.132 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2OC)[C@H](C)C1 ZINC000944306883 649512557 /nfs/dbraw/zinc/51/25/57/649512557.db2.gz UBODFAOQEDBHIX-GDBMZVCRSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2OC)[C@@H](C)C1 ZINC000944306886 649512820 /nfs/dbraw/zinc/51/28/20/649512820.db2.gz UBODFAOQEDBHIX-HOCLYGCPSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)[C@@H](C)C1 ZINC000944533684 649531266 /nfs/dbraw/zinc/53/12/66/649531266.db2.gz PYYHMOMGRIDUJI-DZGCQCFKSA-N 0 3 304.459 2.367 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@@H](C)C1 ZINC000944619660 649535690 /nfs/dbraw/zinc/53/56/90/649535690.db2.gz OFLBOLDCIABGAV-JSGCOSHPSA-N 0 3 313.426 2.370 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](NCc2ccccc2F)C(C)(C)C1 ZINC000995568199 649550643 /nfs/dbraw/zinc/55/06/43/649550643.db2.gz XFZRVWPCJHDIOG-IUODEOHRSA-N 0 3 303.381 2.312 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3nccnc3c2)[C@H](C)C1 ZINC000944789656 649566804 /nfs/dbraw/zinc/56/68/04/649566804.db2.gz MFDXCVIUHXHQJL-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000944812213 649569780 /nfs/dbraw/zinc/56/97/80/649569780.db2.gz RXYOXRARTKJLEJ-IUODEOHRSA-N 0 3 320.820 2.422 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)[C@@H](C)C1 ZINC000945028556 649599995 /nfs/dbraw/zinc/59/99/95/649599995.db2.gz JKNOLSDNPSLPIJ-GXTWGEPZSA-N 0 3 314.389 2.296 20 30 DEEDHN CN(CCOCC(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000844370286 651119252 /nfs/dbraw/zinc/11/92/52/651119252.db2.gz QGLFQMBBXCGQFZ-ZDUSSCGKSA-N 0 3 302.296 2.102 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000844410459 651124468 /nfs/dbraw/zinc/12/44/68/651124468.db2.gz WCRWUDMGXHTORT-UMVBOHGHSA-N 0 3 318.421 2.376 20 30 DEEDHN C=C(C)CONC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000845603308 651259452 /nfs/dbraw/zinc/25/94/52/651259452.db2.gz ZDLOKWUTKWNPSR-HOCLYGCPSA-N 0 3 303.406 2.456 20 30 DEEDHN C=C(C)CONC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000845603132 651259600 /nfs/dbraw/zinc/25/96/00/651259600.db2.gz XUBVZFGATZZXJG-INIZCTEOSA-N 0 3 303.406 2.410 20 30 DEEDHN COc1cccc(O)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008089 651301198 /nfs/dbraw/zinc/30/11/98/651301198.db2.gz TWHVGCVSXBCGFT-KRWDZBQOSA-N 0 3 312.369 2.438 20 30 DEEDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008089 651301200 /nfs/dbraw/zinc/30/12/00/651301200.db2.gz TWHVGCVSXBCGFT-KRWDZBQOSA-N 0 3 312.369 2.438 20 30 DEEDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008089 651301203 /nfs/dbraw/zinc/30/12/03/651301203.db2.gz TWHVGCVSXBCGFT-KRWDZBQOSA-N 0 3 312.369 2.438 20 30 DEEDHN CCC(C#N)C(=O)NC1(C(=O)OCc2ccccc2)CCC1 ZINC000846259349 651318405 /nfs/dbraw/zinc/31/84/05/651318405.db2.gz YBOPGUMTETYIQT-CQSZACIVSA-N 0 3 300.358 2.318 20 30 DEEDHN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000848395807 651456115 /nfs/dbraw/zinc/45/61/15/651456115.db2.gz IZUDSRGBEZEFNG-CQSZACIVSA-N 0 3 316.405 2.175 20 30 DEEDHN Cc1cccc(OCCCNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000848397167 651456126 /nfs/dbraw/zinc/45/61/26/651456126.db2.gz VAEAPXOQQYOIJN-INIZCTEOSA-N 0 3 303.406 2.291 20 30 DEEDHN COc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000848403021 651456458 /nfs/dbraw/zinc/45/64/58/651456458.db2.gz MDXDCBJQSUTJOT-ZDUSSCGKSA-N 0 3 309.797 2.376 20 30 DEEDHN C#CCOc1ccc([C@@H](C)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848569715 651472550 /nfs/dbraw/zinc/47/25/50/651472550.db2.gz HCWXDKXUEISDKC-DYVFJYSZSA-N 0 3 314.385 2.332 20 30 DEEDHN C=CCOc1cccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848577302 651474255 /nfs/dbraw/zinc/47/42/55/651474255.db2.gz CXBJPOQFWDUAKE-MRXNPFEDSA-N 0 3 302.374 2.324 20 30 DEEDHN C#C[C@](C)(CC)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000854697400 651539257 /nfs/dbraw/zinc/53/92/57/651539257.db2.gz BCIXUCLWWFWSKH-LJQANCHMSA-N 0 3 313.445 2.360 20 30 DEEDHN N#Cc1ccc([C@@H](O)CNCc2cnc(C(F)(F)F)nc2)cc1 ZINC000849327612 651649553 /nfs/dbraw/zinc/64/95/53/651649553.db2.gz PPJKOCPKOMHJFT-ZDUSSCGKSA-N 0 3 322.290 2.190 20 30 DEEDHN C#C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CCOCC1 ZINC000856110760 651847108 /nfs/dbraw/zinc/84/71/08/651847108.db2.gz DNOIDDPNIBKXBN-SJORKVTESA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCNC(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850238865 651872784 /nfs/dbraw/zinc/87/27/84/651872784.db2.gz MCCYKIPXBCOJEH-UHFFFAOYSA-N 0 3 306.406 2.090 20 30 DEEDHN CN(C)Cc1cnc(CNCCc2ccc(C#N)cc2)s1 ZINC000850346094 651904921 /nfs/dbraw/zinc/90/49/21/651904921.db2.gz PXAHWFXRNSIQMZ-UHFFFAOYSA-N 0 3 300.431 2.409 20 30 DEEDHN C=CCc1cc(CN[C@@H](C)Cn2cncn2)cc(OC)c1OC ZINC000850442290 651929575 /nfs/dbraw/zinc/92/95/75/651929575.db2.gz LAJBBRGQNYLHFD-ZDUSSCGKSA-N 0 3 316.405 2.202 20 30 DEEDHN C=CCCSCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000851665738 652202453 /nfs/dbraw/zinc/20/24/53/652202453.db2.gz CBOMMDPMWGMOAG-MRXNPFEDSA-N 0 3 319.474 2.482 20 30 DEEDHN N#Cc1ccc(CN2CCCN(CCOC(F)F)CC2)cc1 ZINC000851712718 652212122 /nfs/dbraw/zinc/21/21/22/652212122.db2.gz SERISGJNWSQGCY-UHFFFAOYSA-N 0 3 309.360 2.305 20 30 DEEDHN C#CCOCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000851919285 652279622 /nfs/dbraw/zinc/27/96/22/652279622.db2.gz HROBEOGWLPOOSP-GFCCVEGCSA-N 0 3 301.312 2.189 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2COC3(CCC3)C2)CC1 ZINC000852072796 652331248 /nfs/dbraw/zinc/33/12/48/652331248.db2.gz JMVPXVGTCPFWRR-OAHLLOKOSA-N 0 3 307.438 2.038 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)NCCc1cccc2cccnc21 ZINC000852101531 652338806 /nfs/dbraw/zinc/33/88/06/652338806.db2.gz RTBDTQKJQQAGDI-IBGZPJMESA-N 0 3 309.413 2.285 20 30 DEEDHN C#CCCCOc1cccnc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000853241546 652528518 /nfs/dbraw/zinc/52/85/18/652528518.db2.gz LCOYZPCVTXZTIA-JKSUJKDBSA-N 0 3 315.417 2.149 20 30 DEEDHN C=C(C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000854217204 652658791 /nfs/dbraw/zinc/65/87/91/652658791.db2.gz KXIXPAKRZJJOEV-UHFFFAOYSA-N 0 3 318.421 2.101 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001391787576 1156802990 /nfs/dbraw/zinc/80/29/90/1156802990.db2.gz NZRKNPPFCOVACA-DZGCQCFKSA-N 0 3 300.830 2.183 20 30 DEEDHN CC[C@H](F)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001392924200 1157542102 /nfs/dbraw/zinc/54/21/02/1157542102.db2.gz KHQCUBSBRNQSJW-ZDUSSCGKSA-N 0 3 307.344 2.184 20 30 DEEDHN CC(C)Oc1ccc([C@@H](CNC(=O)NCCC#N)N(C)C)cc1 ZINC000355640579 685355464 /nfs/dbraw/zinc/35/54/64/685355464.db2.gz MFXUMWSCVRZCLU-MRXNPFEDSA-N 0 3 318.421 2.289 20 30 DEEDHN N#CC(C(=O)CCCNC(=O)c1ccccc1)c1ccccn1 ZINC000041493424 683890779 /nfs/dbraw/zinc/89/07/79/683890779.db2.gz RPZSLNJVCHOGGE-HNNXBMFYSA-N 0 3 307.353 2.468 20 30 DEEDHN CC(=O)NC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000092669546 684044287 /nfs/dbraw/zinc/04/42/87/684044287.db2.gz IGFUZSDYXIVODD-CYBMUJFWSA-N 0 3 301.390 2.078 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCO2)cc1 ZINC000121974312 684111849 /nfs/dbraw/zinc/11/18/49/684111849.db2.gz JMUUMPICUBXTOY-LSDHHAIUSA-N 0 3 300.358 2.465 20 30 DEEDHN CNC(=O)C(C#N)C(=O)CCSc1nc2ccccc2s1 ZINC000133432796 684219870 /nfs/dbraw/zinc/21/98/70/684219870.db2.gz NBNIMSUGQVSGAI-VIFPVBQESA-N 0 3 319.411 2.233 20 30 DEEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccccn1 ZINC000156161320 684285821 /nfs/dbraw/zinc/28/58/21/684285821.db2.gz YIKXKFNJPOPYSX-QMMMGPOBSA-N 0 3 317.292 2.024 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCCCO1)C2 ZINC001054113916 693849985 /nfs/dbraw/zinc/84/99/85/693849985.db2.gz QIMRWXANIQWZAU-PKOBYXMFSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(CC)o1)C2 ZINC001054152456 693864326 /nfs/dbraw/zinc/86/43/26/693864326.db2.gz CCHAHGQUEXFKLY-GOSISDBHSA-N 0 3 300.402 2.403 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)c(C)cn1)C2 ZINC001054168684 693868995 /nfs/dbraw/zinc/86/89/95/693868995.db2.gz GWQSHZODRJEGHO-LJQANCHMSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(OC)cc1)C2 ZINC001054232041 693893566 /nfs/dbraw/zinc/89/35/66/693893566.db2.gz HOGPZDRZQLIBTJ-IBGZPJMESA-N 0 3 312.413 2.257 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1sc(C)nc1C)C2 ZINC001054237932 693894569 /nfs/dbraw/zinc/89/45/69/693894569.db2.gz HMIPYTUYSQXWRZ-QGZVFWFLSA-N 0 3 317.458 2.321 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c(C)noc1CC)C2 ZINC001054239454 693896592 /nfs/dbraw/zinc/89/65/92/693896592.db2.gz OWHHDXAZJLBTRZ-SFHVURJKSA-N 0 3 315.417 2.107 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1 ZINC000193369418 685038816 /nfs/dbraw/zinc/03/88/16/685038816.db2.gz ASZXPQHCKUEYRU-DZGCQCFKSA-N 0 3 302.374 2.469 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)CCc1cccs1 ZINC000193363656 685038992 /nfs/dbraw/zinc/03/89/92/685038992.db2.gz MPZLYHCSCSDIEE-CQSZACIVSA-N 0 3 322.430 2.321 20 30 DEEDHN C[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054316292 693926982 /nfs/dbraw/zinc/92/69/82/693926982.db2.gz QXJUULNQLJFRQZ-XHDPSFHLSA-N 0 3 321.371 2.382 20 30 DEEDHN C[C@H]1CN(C(=O)CC2CC2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054324687 693931694 /nfs/dbraw/zinc/93/16/94/693931694.db2.gz QXMMHISTQMHSPW-NHYWBVRUSA-N 0 3 303.431 2.356 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929318533 693935701 /nfs/dbraw/zinc/93/57/01/693935701.db2.gz XMRSZTJUSMOFCN-NJAFHUGGSA-N 0 3 303.402 2.487 20 30 DEEDHN COCCO[C@@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000253293886 685195490 /nfs/dbraw/zinc/19/54/90/685195490.db2.gz BAUYLYPRJOJRJP-WMLDXEAASA-N 0 3 304.390 2.215 20 30 DEEDHN CCCCCCCNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000859429237 685727728 /nfs/dbraw/zinc/72/77/28/685727728.db2.gz DBQGKQGFXCVYII-OAHLLOKOSA-N 0 3 311.470 2.016 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000859501621 685743913 /nfs/dbraw/zinc/74/39/13/685743913.db2.gz DGXHHZUXIFVFCG-MPKXVKKWSA-N 0 3 314.307 2.439 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000860012060 685870771 /nfs/dbraw/zinc/87/07/71/685870771.db2.gz OYXVTEUTHJPOQF-GUYCJALGSA-N 0 3 311.429 2.435 20 30 DEEDHN CC#CC[C@H](N)C(=O)N(CCOC)Cc1ccc(C)c(C)c1 ZINC001574962653 1069309904 /nfs/dbraw/zinc/30/99/04/1069309904.db2.gz NMLZYQQSFUTXSI-KRWDZBQOSA-N 0 3 302.418 2.019 20 30 DEEDHN Cc1cccc(CN2CCN(c3ccc(C#N)nc3)CC2)c1O ZINC000862422009 686298978 /nfs/dbraw/zinc/29/89/78/686298978.db2.gz NSUXCCSNNMLLPD-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN N#Cc1ccc([C@H](O)CNC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000863565475 686523579 /nfs/dbraw/zinc/52/35/79/686523579.db2.gz KWCSHCOXNXKIIJ-KGLIPLIRSA-N 0 3 324.306 2.181 20 30 DEEDHN C#CC[C@H](COC)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000863589397 686529513 /nfs/dbraw/zinc/52/95/13/686529513.db2.gz OASBLZSIELFIED-BXUZGUMPSA-N 0 3 301.308 2.367 20 30 DEEDHN C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000929920484 694055104 /nfs/dbraw/zinc/05/51/04/694055104.db2.gz VPUDZULCCYJHNC-BBRMVZONSA-N 0 3 300.406 2.355 20 30 DEEDHN C=CCN1CCC(NC(=O)CC(F)(F)C(F)(F)F)CC1 ZINC000865192765 686963400 /nfs/dbraw/zinc/96/34/00/686963400.db2.gz CZOKKBIKYMNITO-UHFFFAOYSA-N 0 3 300.271 2.341 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(F)c(C=O)cc2F)CC1 ZINC000865194217 686964100 /nfs/dbraw/zinc/96/41/00/686964100.db2.gz RXLTXDGUPLDFAY-UHFFFAOYSA-N 0 3 308.328 2.158 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NCc3ccccn3)[C@@H](C)C2)cc1 ZINC001054961355 694082321 /nfs/dbraw/zinc/08/23/21/694082321.db2.gz HNXSAAGNLFHUAJ-KXBFYZLASA-N 0 3 319.408 2.313 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001054975580 694085992 /nfs/dbraw/zinc/08/59/92/694085992.db2.gz DONLEOBLDYFDJK-OLZOCXBDSA-N 0 3 319.453 2.077 20 30 DEEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](c2ccccc2)N(C)C)C1=O ZINC000865296871 687170594 /nfs/dbraw/zinc/17/05/94/687170594.db2.gz HZOMVYDVSJAXNP-UONOGXRCSA-N 0 3 321.808 2.352 20 30 DEEDHN C#C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000865530820 687248402 /nfs/dbraw/zinc/24/84/02/687248402.db2.gz BYCYXWUTHANTSV-ILXRZTDVSA-N 0 3 308.422 2.156 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001015760242 687411167 /nfs/dbraw/zinc/41/11/67/687411167.db2.gz OGSBCVYRDLXXHE-LLVKDONJSA-N 0 3 313.323 2.481 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001015786703 687421304 /nfs/dbraw/zinc/42/13/04/687421304.db2.gz NPRPBSOCYUYXMT-INIZCTEOSA-N 0 3 300.402 2.221 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001015794031 687424156 /nfs/dbraw/zinc/42/41/56/687424156.db2.gz DZWCNJALGZLALZ-CABCVRRESA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCN(CC[C@@H](C)F)C2)cc1 ZINC001015809797 687429062 /nfs/dbraw/zinc/42/90/62/687429062.db2.gz URWQGYZEDANNDF-ZBFHGGJFSA-N 0 3 318.392 2.251 20 30 DEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001015810485 687429656 /nfs/dbraw/zinc/42/96/56/687429656.db2.gz KAMKQPVSVWKFJV-GFCCVEGCSA-N 0 3 309.435 2.060 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2COC)C1 ZINC001015829353 687436351 /nfs/dbraw/zinc/43/63/51/687436351.db2.gz RXDNIUUSURHJSX-KRWDZBQOSA-N 0 3 302.418 2.142 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001015856112 687442114 /nfs/dbraw/zinc/44/21/14/687442114.db2.gz RQOMWIFEDSARTP-XJKSGUPXSA-N 0 3 300.402 2.390 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001015971194 687485800 /nfs/dbraw/zinc/48/58/00/687485800.db2.gz ZOKCTSWRVASKPX-OAHLLOKOSA-N 0 3 314.433 2.285 20 30 DEEDHN CN(C)C[C@H]1CN(C(=O)c2coc(C#N)c2)c2ccccc2O1 ZINC000866621496 687630762 /nfs/dbraw/zinc/63/07/62/687630762.db2.gz SBUSDDXGWHNUED-AWEZNQCLSA-N 0 3 311.341 2.121 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc(CC)ccn2)CC1 ZINC001016637271 687671274 /nfs/dbraw/zinc/67/12/74/687671274.db2.gz AUZUAOHCRCYYHP-QGZVFWFLSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2c(C)cccc2C)CC1 ZINC001016643684 687673022 /nfs/dbraw/zinc/67/30/22/687673022.db2.gz SAEUJABJASZZOX-GOSISDBHSA-N 0 3 310.441 2.450 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccnc(CCC)c2)CC1 ZINC001016666852 687678721 /nfs/dbraw/zinc/67/87/21/687678721.db2.gz KIKBEVUWQNDVIL-QGZVFWFLSA-N 0 3 311.429 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(C)noc2C(C)C)CC1 ZINC001016668274 687679051 /nfs/dbraw/zinc/67/90/51/687679051.db2.gz UKVKKUQZWMMRMV-AWEZNQCLSA-N 0 3 315.417 2.324 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CC2CC(OCC)C2)CC1 ZINC001016787653 687702937 /nfs/dbraw/zinc/70/29/37/687702937.db2.gz YNPNDWUOIDDZSL-JCYILVPMSA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)c2ccco2)CC1 ZINC001016821125 687709950 /nfs/dbraw/zinc/70/99/50/687709950.db2.gz ZAZWIRBWGSKDGB-GOEBONIOSA-N 0 3 300.402 2.377 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ocnc2C2CC2)CC1 ZINC001016827085 687712291 /nfs/dbraw/zinc/71/22/91/687712291.db2.gz UXAIUKSTZNTFJC-CQSZACIVSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)ccc2F)CC1 ZINC001016849422 687718144 /nfs/dbraw/zinc/71/81/44/687718144.db2.gz CDBHUNDTRFCCBC-INIZCTEOSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2oc(CCC)nc2C)CC1 ZINC001016924637 687734924 /nfs/dbraw/zinc/73/49/24/687734924.db2.gz CGYHHRZBVKFJQY-CQSZACIVSA-N 0 3 315.417 2.153 20 30 DEEDHN CC(=O)NCCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000930332157 694139149 /nfs/dbraw/zinc/13/91/49/694139149.db2.gz BDUQHXLVCYRDLL-UHFFFAOYSA-N 0 3 314.433 2.245 20 30 DEEDHN CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017453460 687892882 /nfs/dbraw/zinc/89/28/82/687892882.db2.gz BPOKYJXUFGIQJG-AEGPPILISA-N 0 3 300.406 2.221 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCC2 ZINC001017602518 687921234 /nfs/dbraw/zinc/92/12/34/687921234.db2.gz WLRBKUBJVOWXGR-GASCZTMLSA-N 0 3 314.433 2.084 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1CC ZINC001017705096 687942598 /nfs/dbraw/zinc/94/25/98/687942598.db2.gz ZUNYIZQORHETPZ-GASCZTMLSA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCCC(C)(C)CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000868215128 687950192 /nfs/dbraw/zinc/95/01/92/687950192.db2.gz AYKPXEMHUASPMF-HUUCEWRRSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001017751176 687952760 /nfs/dbraw/zinc/95/27/60/687952760.db2.gz CWEBXGPGBOQTDX-TWMKSMIVSA-N 0 3 304.434 2.053 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000868283706 687968973 /nfs/dbraw/zinc/96/89/73/687968973.db2.gz FEIPKFRWPRSDBS-WBVHZDCISA-N 0 3 321.465 2.141 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001017932678 688004431 /nfs/dbraw/zinc/00/44/31/688004431.db2.gz KREBALCLQUXJLC-ZNMIVQPWSA-N 0 3 314.433 2.081 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868645523 688089422 /nfs/dbraw/zinc/08/94/22/688089422.db2.gz ABAXGWSREIIWBX-UHFFFAOYSA-N 0 3 322.497 2.010 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OC)c1 ZINC001018236119 688090362 /nfs/dbraw/zinc/09/03/62/688090362.db2.gz FCMHSARBVYGYSU-CALCHBBNSA-N 0 3 314.429 2.489 20 30 DEEDHN Cc1[nH]ccc1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018691409 688208636 /nfs/dbraw/zinc/20/86/36/688208636.db2.gz UBTPSHGYNPDPLS-LBPRGKRZSA-N 0 3 314.414 2.261 20 30 DEEDHN C[C@@H](N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1ccccc1F ZINC001018819194 688239281 /nfs/dbraw/zinc/23/92/81/688239281.db2.gz PQBYUQLUWFGLAG-HIFRSBDPSA-N 0 3 300.377 2.491 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC001019204714 688299827 /nfs/dbraw/zinc/29/98/27/688299827.db2.gz IQIQKJLTHYTSFP-HNNXBMFYSA-N 0 3 304.821 2.405 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2Cl)C1 ZINC001019452918 688359213 /nfs/dbraw/zinc/35/92/13/688359213.db2.gz SGEIJPYVEMAKPD-ZFWWWQNUSA-N 0 3 304.821 2.342 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001019882218 688418385 /nfs/dbraw/zinc/41/83/85/688418385.db2.gz PRVPJVBSQURMDR-CJNGLKHVSA-N 0 3 304.821 2.342 20 30 DEEDHN N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)c1 ZINC001019992119 688437442 /nfs/dbraw/zinc/43/74/42/688437442.db2.gz XDWAOYCLYIAVDF-WKILWMFISA-N 0 3 321.380 2.314 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2ccncc2C)C1 ZINC001020130072 688469597 /nfs/dbraw/zinc/46/95/97/688469597.db2.gz IXZLTEDXHQCFPH-HAQNSBGRSA-N 0 3 324.222 2.149 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001020187588 688481922 /nfs/dbraw/zinc/48/19/22/688481922.db2.gz DDSLGPRLYKBEEJ-KKUMJFAQSA-N 0 3 320.820 2.370 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001020202711 688483959 /nfs/dbraw/zinc/48/39/59/688483959.db2.gz STJVQBBBIDPKFZ-JOCQHMNTSA-N 0 3 310.829 2.142 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001020354879 688507976 /nfs/dbraw/zinc/50/79/76/688507976.db2.gz HONLBLKHOSKIFN-HAQNSBGRSA-N 0 3 305.765 2.431 20 30 DEEDHN N#Cc1ccccc1CNC1CCC(NC(=O)c2ccon2)CC1 ZINC001026460281 688524560 /nfs/dbraw/zinc/52/45/60/688524560.db2.gz LZFXCTZWNAOKJE-UHFFFAOYSA-N 0 3 324.384 2.377 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2coc(C3CCCCC3)n2)C1 ZINC001029013959 688549047 /nfs/dbraw/zinc/54/90/47/688549047.db2.gz MLXRNWSWZWELFO-CQSZACIVSA-N 0 3 315.417 2.407 20 30 DEEDHN Cc1cncc(CN(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1 ZINC001029734494 688568633 /nfs/dbraw/zinc/56/86/33/688568633.db2.gz ZBOVXEAEMMIZBO-KRWDZBQOSA-N 0 3 311.429 2.084 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(CC#N)ccn1 ZINC000871732259 688854407 /nfs/dbraw/zinc/85/44/07/688854407.db2.gz XAOVQOPNYNNMRW-UHFFFAOYSA-N 0 3 315.421 2.487 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001031676242 688978477 /nfs/dbraw/zinc/97/84/77/688978477.db2.gz NHXXDEFKKPRNIT-UHFFFAOYSA-N 0 3 310.319 2.448 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001031703640 688982628 /nfs/dbraw/zinc/98/26/28/688982628.db2.gz MATRPWMLOIGIMJ-UHFFFAOYSA-N 0 3 302.422 2.236 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001031851801 689008327 /nfs/dbraw/zinc/00/83/27/689008327.db2.gz JCGLOOYJXUYYJN-MRXNPFEDSA-N 0 3 316.832 2.441 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC(C)(C)CO2)CC1 ZINC000872880639 689112209 /nfs/dbraw/zinc/11/22/09/689112209.db2.gz HNDXIXCCCGJEOT-HNNXBMFYSA-N 0 3 309.454 2.141 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000930868101 694259488 /nfs/dbraw/zinc/25/94/88/694259488.db2.gz SJBVUCPLYASOPM-UHFFFAOYSA-N 0 3 311.389 2.153 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1OC ZINC001032505089 689170765 /nfs/dbraw/zinc/17/07/65/689170765.db2.gz GNNCTCJQOWMUPW-IRXDYDNUSA-N 0 3 314.429 2.407 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCCO1 ZINC001032561799 689186319 /nfs/dbraw/zinc/18/63/19/689186319.db2.gz BUDMSJBTKCARGN-HRCADAONSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)c(F)c1 ZINC001032593443 689196439 /nfs/dbraw/zinc/19/64/39/689196439.db2.gz GRSSRPWVQLFLEA-KBPBESRZSA-N 0 3 306.356 2.369 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccn1 ZINC001032736718 689242560 /nfs/dbraw/zinc/24/25/60/689242560.db2.gz ZRHXRRDVXUPDFI-PMPSAXMXSA-N 0 3 315.417 2.100 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(CC)cc1 ZINC001032761814 689250828 /nfs/dbraw/zinc/25/08/28/689250828.db2.gz JRYXMLQAUZNAIW-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001032782736 689258918 /nfs/dbraw/zinc/25/89/18/689258918.db2.gz KOJUPEXLZLWDFL-KBPBESRZSA-N 0 3 312.373 2.145 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OCC)c1 ZINC001032807110 689266691 /nfs/dbraw/zinc/26/66/91/689266691.db2.gz YHVLLXSCLNLVME-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001032818675 689271498 /nfs/dbraw/zinc/27/14/98/689271498.db2.gz LWAOJTGULDCFOA-RCBQFDQVSA-N 0 3 316.449 2.002 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCOCC1 ZINC001032821684 689272625 /nfs/dbraw/zinc/27/26/25/689272625.db2.gz UCLNNNOAMITWMN-PVAVHDDUSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnn2C2CCC2)C1 ZINC001033089226 689383807 /nfs/dbraw/zinc/38/38/07/689383807.db2.gz YWYLDCMGWKBUJD-HNNXBMFYSA-N 0 3 302.422 2.331 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001033092953 689384925 /nfs/dbraw/zinc/38/49/25/689384925.db2.gz QSOIDWGOUOGTTL-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncnc3ccsc32)C1 ZINC001033137423 689401749 /nfs/dbraw/zinc/40/17/49/689401749.db2.gz TVHUWPJDGWCZQK-LBPRGKRZSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001033189816 689418131 /nfs/dbraw/zinc/41/81/31/689418131.db2.gz CNNTVXJZWDEZJN-LSDHHAIUSA-N 0 3 316.449 2.188 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnn2-c2ccccc2)C1 ZINC001033195961 689420857 /nfs/dbraw/zinc/42/08/57/689420857.db2.gz XWYXDBGMEWGFLR-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)ccc2N(C)C)CC1 ZINC000874578588 689445028 /nfs/dbraw/zinc/44/50/28/689445028.db2.gz STEIIASOJILSJS-UHFFFAOYSA-N 0 3 303.381 2.175 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2OCCc3ccccc32)C1 ZINC001033318612 689460532 /nfs/dbraw/zinc/46/05/32/689460532.db2.gz SFWLEGFCAXINOL-WMZOPIPTSA-N 0 3 314.429 2.409 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001033448418 689502157 /nfs/dbraw/zinc/50/21/57/689502157.db2.gz KTOFVJKNONSPJP-MRXNPFEDSA-N 0 3 300.402 2.344 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001033460298 689507755 /nfs/dbraw/zinc/50/77/55/689507755.db2.gz NEAWBQDDZOVQSZ-RTBURBONSA-N 0 3 310.441 2.348 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001033564829 689544906 /nfs/dbraw/zinc/54/49/06/689544906.db2.gz ZTHLJMHKIGXIAJ-GOSISDBHSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001033579134 689549299 /nfs/dbraw/zinc/54/92/99/689549299.db2.gz LTCPTBWMPFBWMA-HNNXBMFYSA-N 0 3 304.438 2.495 20 30 DEEDHN CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033799814 689621452 /nfs/dbraw/zinc/62/14/52/689621452.db2.gz XPQYCHKMWLPEDT-OAHLLOKOSA-N 0 3 300.406 2.389 20 30 DEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cc(OC)ns2)C1 ZINC001033835567 689632135 /nfs/dbraw/zinc/63/21/35/689632135.db2.gz ZOKQZOHAMNJNFN-GFCCVEGCSA-N 0 3 309.435 2.264 20 30 DEEDHN CCCCCCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000875473746 689632245 /nfs/dbraw/zinc/63/22/45/689632245.db2.gz CTPWNYOZLJGIPR-CQSZACIVSA-N 0 3 311.470 2.062 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnn(CCC)c2C)C1 ZINC001033997562 689687269 /nfs/dbraw/zinc/68/72/69/689687269.db2.gz DAWBCRHTKOPWGH-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc3nccn3c2)C1 ZINC001034014878 689693781 /nfs/dbraw/zinc/69/37/81/689693781.db2.gz FKWMQLFMDYZQPQ-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001034030617 689699209 /nfs/dbraw/zinc/69/92/09/689699209.db2.gz XEXGVJBHRDGPER-SFHVURJKSA-N 0 3 313.445 2.312 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001034221023 689768759 /nfs/dbraw/zinc/76/87/59/689768759.db2.gz ITTRMISCHWGTTJ-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001034228551 689771660 /nfs/dbraw/zinc/77/16/60/689771660.db2.gz WZZKXUIVXIHPLA-LBPRGKRZSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001034237667 689776028 /nfs/dbraw/zinc/77/60/28/689776028.db2.gz AOTHQKBNYDKFOY-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001034240786 689778094 /nfs/dbraw/zinc/77/80/94/689778094.db2.gz HPOGEGWKBZJXMS-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001034254986 689783705 /nfs/dbraw/zinc/78/37/05/689783705.db2.gz UPDOOSKRFSSZMU-INIZCTEOSA-N 0 3 312.417 2.034 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001034291989 689798227 /nfs/dbraw/zinc/79/82/27/689798227.db2.gz AFZRAKUSBJMULC-AWEZNQCLSA-N 0 3 318.392 2.442 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001034302632 689801797 /nfs/dbraw/zinc/80/17/97/689801797.db2.gz UVKBJBHWPMTROQ-INIZCTEOSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001034311325 689805585 /nfs/dbraw/zinc/80/55/85/689805585.db2.gz IXXJAPBVPDKHCE-QGZVFWFLSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001034368156 689824933 /nfs/dbraw/zinc/82/49/33/689824933.db2.gz KTYHHMJCAXMDSS-KRWDZBQOSA-N 0 3 311.429 2.107 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001034373336 689827056 /nfs/dbraw/zinc/82/70/56/689827056.db2.gz RDNONZBADMASEL-HNNXBMFYSA-N 0 3 303.406 2.169 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001034415177 689842371 /nfs/dbraw/zinc/84/23/71/689842371.db2.gz UHYYGXWRPNVDEF-IXDOHACOSA-N 0 3 316.449 2.070 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001034423839 689845184 /nfs/dbraw/zinc/84/51/84/689845184.db2.gz MEODOUXESFAKMC-DOTOQJQBSA-N 0 3 318.392 2.286 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCCCN(CC)C1 ZINC001034482999 689868351 /nfs/dbraw/zinc/86/83/51/689868351.db2.gz IIKCKHHTQSMNPL-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001034491920 689872283 /nfs/dbraw/zinc/87/22/83/689872283.db2.gz IYONAKVZXNDRMP-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000876610807 689875712 /nfs/dbraw/zinc/87/57/12/689875712.db2.gz JFSPVABHQXJVRZ-GWCFXTLKSA-N 0 3 300.761 2.179 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001034509561 689878396 /nfs/dbraw/zinc/87/83/96/689878396.db2.gz YNFFZJVKSZVSEA-ROUUACIJSA-N 0 3 314.429 2.285 20 30 DEEDHN COCCCN(CCOC)Cc1cc(C#N)ccc1N(C)C ZINC000876628326 689881347 /nfs/dbraw/zinc/88/13/47/689881347.db2.gz ZDJAWFWPEQBAAA-UHFFFAOYSA-N 0 3 305.422 2.109 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000876628683 689881427 /nfs/dbraw/zinc/88/14/27/689881427.db2.gz RYCNPVYXDYTTGT-MNOVXSKESA-N 0 3 300.811 2.118 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1nc(C)c2ccccc2n1 ZINC000876640244 689885027 /nfs/dbraw/zinc/88/50/27/689885027.db2.gz OOKLWFOZBVTCGP-GFCCVEGCSA-N 0 3 304.781 2.024 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1cccc(OC)c1 ZINC000876674393 689897545 /nfs/dbraw/zinc/89/75/45/689897545.db2.gz IZQABFWNQIIRNZ-AWEZNQCLSA-N 0 3 312.797 2.050 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H]1CCCN1C(=O)C1CC1 ZINC001034835124 689957190 /nfs/dbraw/zinc/95/71/90/689957190.db2.gz LKIWRSWUQXMIKU-MRXNPFEDSA-N 0 3 313.401 2.057 20 30 DEEDHN CC(C)CN1CCO[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000876880450 689962427 /nfs/dbraw/zinc/96/24/27/689962427.db2.gz JLWSOGBJQOZLJO-HNNXBMFYSA-N 0 3 322.840 2.053 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CCc2ccccc2N1 ZINC000876948973 689980137 /nfs/dbraw/zinc/98/01/37/689980137.db2.gz YBIMZUDLPXHLMK-KBPBESRZSA-N 0 3 307.825 2.390 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000877112846 690021291 /nfs/dbraw/zinc/02/12/91/690021291.db2.gz ZEARUVGDMQEKEC-HNNXBMFYSA-N 0 3 303.793 2.107 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000877230617 690051283 /nfs/dbraw/zinc/05/12/83/690051283.db2.gz 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/nfs/dbraw/zinc/45/03/96/690450396.db2.gz CUPZNKLVOXKXBR-HIFRSBDPSA-N 0 3 322.840 2.018 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000878640477 690463244 /nfs/dbraw/zinc/46/32/44/690463244.db2.gz ILUQNEBDDKRHEB-QXAKKESOSA-N 0 3 311.429 2.063 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931365319 694379003 /nfs/dbraw/zinc/37/90/03/694379003.db2.gz FIFFEQBHZWOYAC-ZIAGYGMSSA-N 0 3 312.417 2.433 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@@H](CC)C1 ZINC001037895607 690635521 /nfs/dbraw/zinc/63/55/21/690635521.db2.gz GPUBGIOQRSMCEK-UONOGXRCSA-N 0 3 319.453 2.042 20 30 DEEDHN CO[C@H]1CC[C@@H](N2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000879591025 690682522 /nfs/dbraw/zinc/68/25/22/690682522.db2.gz OVZARNRLGPYVBC-CVEARBPZSA-N 0 3 303.381 2.387 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038253257 690759208 /nfs/dbraw/zinc/75/92/08/690759208.db2.gz DTYDADDBJCRPNJ-INIZCTEOSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001038317927 690779389 /nfs/dbraw/zinc/77/93/89/690779389.db2.gz NJKYMNBAWCERRJ-MRXNPFEDSA-N 0 3 315.417 2.415 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001038330113 690783088 /nfs/dbraw/zinc/78/30/88/690783088.db2.gz UVMAVKJHUDOUIO-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038421488 690816130 /nfs/dbraw/zinc/81/61/30/690816130.db2.gz HFXTWNWZFCZVBR-AWEZNQCLSA-N 0 3 302.422 2.118 20 30 DEEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)Cc2c[nH]nc21 ZINC000931458524 694401911 /nfs/dbraw/zinc/40/19/11/694401911.db2.gz SUPIDUZHOLLGCK-LBPRGKRZSA-N 0 3 309.373 2.229 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001038711235 690902734 /nfs/dbraw/zinc/90/27/34/690902734.db2.gz UVCPNIRQBXJGFO-AWEZNQCLSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCN2CCC2CC2)cc1 ZINC001038778834 690923313 /nfs/dbraw/zinc/92/33/13/690923313.db2.gz PHAKIRZUFNOIAB-QGZVFWFLSA-N 0 3 312.413 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C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001039418744 691102226 /nfs/dbraw/zinc/10/22/26/691102226.db2.gz QGEIHNDUKNAGFN-UPJWGTAASA-N 0 3 302.340 2.273 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(CC)cn1 ZINC001039440581 691106382 /nfs/dbraw/zinc/10/63/82/691106382.db2.gz VCFDKLXTMQEDQU-MSOLQXFVSA-N 0 3 313.445 2.438 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1ccccc1)C(F)F ZINC000931544065 694423855 /nfs/dbraw/zinc/42/38/55/694423855.db2.gz HVKSZXWSMJZYIE-CQSZACIVSA-N 0 3 309.360 2.247 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001039479585 691116293 /nfs/dbraw/zinc/11/62/93/691116293.db2.gz FQCYGNMNRCHIMI-UAGQMJEPSA-N 0 3 316.449 2.165 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)cn1 ZINC001039979210 691172646 /nfs/dbraw/zinc/17/26/46/691172646.db2.gz MHCJVHKYYRLVMG-HDICACEKSA-N 0 3 309.413 2.152 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3ccc(C)n3C)C2)C1 ZINC001040065055 691188753 /nfs/dbraw/zinc/18/87/53/691188753.db2.gz 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Cc1ncc(CN2CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001382556903 1153469407 /nfs/dbraw/zinc/46/94/07/1153469407.db2.gz NCPONDSOSUQJGC-NWDGAFQWSA-N 0 3 320.462 2.328 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001382602442 1153479544 /nfs/dbraw/zinc/47/95/44/1153479544.db2.gz POUALIPKARCESR-QWRGUYRKSA-N 0 3 305.344 2.315 20 30 DEEDHN Cc1ccc(O[C@@H]2CCN(C[C@@H](O)c3cccc(C#N)c3)C2)nc1 ZINC001363809176 1153642459 /nfs/dbraw/zinc/64/24/59/1153642459.db2.gz OSYRUXJWGTYZTK-QZTJIDSGSA-N 0 3 323.396 2.448 20 30 DEEDHN C[C@@H](CNC(=O)C1(C)CCOCC1)NCc1ccc(C#N)s1 ZINC001403075112 1162691987 /nfs/dbraw/zinc/69/19/87/1162691987.db2.gz VIKDGSIOBAZQEF-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001389359567 1155319409 /nfs/dbraw/zinc/31/94/09/1155319409.db2.gz TZGGFIAKZJCZOS-HIFRSBDPSA-N 0 3 324.856 2.074 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001389829927 1155445583 /nfs/dbraw/zinc/44/55/83/1155445583.db2.gz AIJIBAJFBFWPAV-XDTLVQLUSA-N 0 3 309.772 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[C@H]2CC[C@H](C)O2)C1 ZINC001389910374 1155468941 /nfs/dbraw/zinc/46/89/41/1155468941.db2.gz VRHXTJXTWOSERD-XDQVBPFNSA-N 0 3 300.830 2.323 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001403095880 1162708506 /nfs/dbraw/zinc/70/85/06/1162708506.db2.gz DHSVPJLXTYJHJP-KGLIPLIRSA-N 0 3 319.474 2.494 20 30 DEEDHN C[C@H](CNC(=O)C1CC(C)C1)NCc1ccc(F)c(C#N)c1 ZINC001390342682 1155662565 /nfs/dbraw/zinc/66/25/65/1155662565.db2.gz POIOXQHIUFTYLP-MBHSVXNSSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccn1)NCc1ccc(F)c(C#N)c1 ZINC001371096821 1155704037 /nfs/dbraw/zinc/70/40/37/1155704037.db2.gz RCVJHKXJUMGOKN-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)n1cccc1 ZINC001371151485 1155739299 /nfs/dbraw/zinc/73/92/99/1155739299.db2.gz SZRJDFULRKEQOP-QWHCGFSZSA-N 0 3 316.430 2.277 20 30 DEEDHN C[C@H](CCNC(=O)c1ccc[nH]1)NCc1cc(C#N)ccc1F ZINC001390645680 1155825232 /nfs/dbraw/zinc/82/52/32/1155825232.db2.gz GHAREIBPGPQWDQ-GFCCVEGCSA-N 0 3 314.364 2.324 20 30 DEEDHN C[C@@H](CNC(=O)CC(C)(F)F)NCc1ccc(C#N)s1 ZINC001371341710 1155828058 /nfs/dbraw/zinc/82/80/58/1155828058.db2.gz CUTCVIQECKHQHF-VIFPVBQESA-N 0 3 301.362 2.259 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H]1CC1(F)F ZINC001390665503 1155832157 /nfs/dbraw/zinc/83/21/57/1155832157.db2.gz WBSSDCHTWUDHNT-DTWKUNHWSA-N 0 3 311.170 2.035 20 30 DEEDHN CCN(CCNC(=O)c1ncoc1C)Cc1cccc(C#N)c1 ZINC001390878534 1155903159 /nfs/dbraw/zinc/90/31/59/1155903159.db2.gz BWLFEZHSANESNH-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(Cl)c(OC)c1 ZINC001390887197 1155915264 /nfs/dbraw/zinc/91/52/64/1155915264.db2.gz KOFHODNNKYZIPN-GFCCVEGCSA-N 0 3 323.824 2.446 20 30 DEEDHN COCc1cccc(CN2CCC[C@H]2CNC(=O)[C@H](C)C#N)c1 ZINC001372506669 1156482682 /nfs/dbraw/zinc/48/26/82/1156482682.db2.gz BQRXLFVUKYCQBS-PBHICJAKSA-N 0 3 315.417 2.073 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1nccn1CC)C1CC1 ZINC001391791748 1156804014 /nfs/dbraw/zinc/80/40/14/1156804014.db2.gz UUXJVWKZERHFCF-HNNXBMFYSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(CC)n(C)n1)C1CC1 ZINC001391808282 1156807174 /nfs/dbraw/zinc/80/71/74/1156807174.db2.gz VJHCZGROCLCRAV-MRXNPFEDSA-N 0 3 324.856 2.223 20 30 DEEDHN CN(C/C=C\Cl)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001373288875 1156931946 /nfs/dbraw/zinc/93/19/46/1156931946.db2.gz QQCIOIMWBXIMGD-QQHVMHFCSA-N 0 3 306.797 2.033 20 30 DEEDHN CC[C@H](CNC(=O)c1cc[nH]c1)NCc1ccc(C#N)s1 ZINC001373753404 1157340902 /nfs/dbraw/zinc/34/09/02/1157340902.db2.gz BAJPZFWSQMYJKT-GFCCVEGCSA-N 0 3 302.403 2.246 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@](C)(CNCc1ccncc1Cl)C1CC1 ZINC001373880528 1157430355 /nfs/dbraw/zinc/43/03/55/1157430355.db2.gz YJJNMDYJYZFMQS-BDJLRTHQSA-N 0 3 320.824 2.269 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)[C@@H]3CC34CCC4)CC2)c1 ZINC001392936404 1157550145 /nfs/dbraw/zinc/55/01/45/1157550145.db2.gz GNVRBMBGRNZSCJ-INIZCTEOSA-N 0 3 309.413 2.487 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)Cc1ccc[nH]1 ZINC001374329349 1157814365 /nfs/dbraw/zinc/81/43/65/1157814365.db2.gz SLFGHBJVHBAZFZ-LBPRGKRZSA-N 0 3 316.430 2.127 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]cn1 ZINC001374392502 1157836879 /nfs/dbraw/zinc/83/68/79/1157836879.db2.gz GJDBUYMWELGDHK-SWLSCSKDSA-N 0 3 324.856 2.312 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CC(CNCc2cc(O)ccc2Cl)C1 ZINC001393890419 1158049480 /nfs/dbraw/zinc/04/94/80/1158049480.db2.gz DYSQWSICZQYCHR-ZBOXLXRLSA-N 0 3 321.808 2.190 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H](C)NC(=O)C1CCC1 ZINC001393909697 1158060697 /nfs/dbraw/zinc/06/06/97/1158060697.db2.gz LPMQRBQATPPPDC-CHWSQXEVSA-N 0 3 315.417 2.350 20 30 DEEDHN C[C@@H](NC(=O)C1CCC1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001393911300 1158061827 /nfs/dbraw/zinc/06/18/27/1158061827.db2.gz RIDWCAMIBRGXBG-NWDGAFQWSA-N 0 3 303.381 2.480 20 30 DEEDHN COCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001375110627 1158324497 /nfs/dbraw/zinc/32/44/97/1158324497.db2.gz MYWPFPXQLQZOFZ-CQSZACIVSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CCn1cccc1 ZINC001375127555 1158336883 /nfs/dbraw/zinc/33/68/83/1158336883.db2.gz JJAPQVCQRDSUHC-INIZCTEOSA-N 0 3 324.428 2.387 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1cc[nH]c1)NCc1ccc(C#N)c(F)c1 ZINC001403554457 1162996715 /nfs/dbraw/zinc/99/67/15/1162996715.db2.gz JNAOGWLTNFVELF-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cn1nccc1C ZINC001376026109 1159059240 /nfs/dbraw/zinc/05/92/40/1159059240.db2.gz SRRNGVUDESTTTI-GJZGRUSLSA-N 0 3 324.856 2.303 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001376500530 1159479142 /nfs/dbraw/zinc/47/91/42/1159479142.db2.gz GDXYXFWWJCVFKS-OWCLPIDISA-N 0 3 322.836 2.233 20 30 DEEDHN CCOCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001376974630 1159861392 /nfs/dbraw/zinc/86/13/92/1159861392.db2.gz NYHMJVISGNRNIL-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN CCCC(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001397021863 1159899570 /nfs/dbraw/zinc/89/95/70/1159899570.db2.gz FUYXBGOPCXOXIH-OTVXOJSOSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C[C@H]2CCCOC2)C1 ZINC001397172647 1160032466 /nfs/dbraw/zinc/03/24/66/1160032466.db2.gz XNFRIGHCBVGCSW-RRFJBIMHSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001397671475 1160391361 /nfs/dbraw/zinc/39/13/61/1160391361.db2.gz BKFMUXGYHDQVNT-NWANDNLSSA-N 0 3 314.857 2.429 20 30 DEEDHN CCCN(CCNC(=O)Cc1ccc[nH]1)Cc1ccc(C#N)cc1 ZINC001377508940 1160444331 /nfs/dbraw/zinc/44/43/31/1160444331.db2.gz FZTNSSOHEHWTEG-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccn2)CC(C)(C)C1 ZINC001397804172 1160527453 /nfs/dbraw/zinc/52/74/53/1160527453.db2.gz FBULQUJRSMAQJE-HUUCEWRRSA-N 0 3 314.433 2.348 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2csc3cncn32)C1 ZINC001377727162 1160795211 /nfs/dbraw/zinc/79/52/11/1160795211.db2.gz MPJBCLIOZYQZLC-UHFFFAOYSA-N 0 3 324.837 2.246 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2ccccc2OC)C1 ZINC001398666286 1161042681 /nfs/dbraw/zinc/04/26/81/1161042681.db2.gz WEWPHYRWSDKNQZ-BETUJISGSA-N 0 3 324.808 2.063 20 30 DEEDHN C[C@H](CNC(=O)c1ccsn1)NCc1ccc(F)c(C#N)c1 ZINC001398972913 1161173296 /nfs/dbraw/zinc/17/32/96/1161173296.db2.gz JAJASWYRDOHHFD-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccc(C)[nH]c2=O)CCCC1 ZINC001400985151 1161855981 /nfs/dbraw/zinc/85/59/81/1161855981.db2.gz RMLLBGOOMNOBNJ-UHFFFAOYSA-N 0 3 323.824 2.480 20 30 DEEDHN C[C@H](CNCc1cc(O)ccc1Cl)CNC(=O)[C@@H](C)C#N ZINC001401101587 1161873165 /nfs/dbraw/zinc/87/31/65/1161873165.db2.gz HYWMTRPWEDKGNY-MNOVXSKESA-N 0 3 309.797 2.047 20 30 DEEDHN CCC[C@@H](OC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001401239201 1161901455 /nfs/dbraw/zinc/90/14/55/1161901455.db2.gz IVLLBKRLYUNOFB-SWLSCSKDSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)Cc1ccc2ncccc2c1 ZINC001401360241 1161949963 /nfs/dbraw/zinc/94/99/63/1161949963.db2.gz UZZBBIXBCFRFGP-CQSZACIVSA-N 0 3 310.401 2.285 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)c1ccc(F)cn1 ZINC001401672838 1162069907 /nfs/dbraw/zinc/06/99/07/1162069907.db2.gz HRPIWUXGRRRXEA-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@@]1(CNCc2ccccc2C#N)CCN(C(=O)c2ccon2)C1 ZINC001402156659 1162268985 /nfs/dbraw/zinc/26/89/85/1162268985.db2.gz CSUIWHJTZLFVDV-SFHVURJKSA-N 0 3 324.384 2.188 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CCCCN1CC ZINC001403952666 1163327105 /nfs/dbraw/zinc/32/71/05/1163327105.db2.gz RZADZIICVFMNMI-AWEZNQCLSA-N 0 3 301.862 2.051 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001404041445 1163395201 /nfs/dbraw/zinc/39/52/01/1163395201.db2.gz OYRFKQJSVBHJNS-GXTWGEPZSA-N 0 3 305.809 2.438 20 30 DEEDHN CC[C@@H](OC)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001405214197 1164015600 /nfs/dbraw/zinc/01/56/00/1164015600.db2.gz PPROVKSLAIALBC-GOEBONIOSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](CC)OC)NCc1ccc(C#N)c(F)c1 ZINC001405214210 1164016128 /nfs/dbraw/zinc/01/61/28/1164016128.db2.gz PPROVKSLAIALBC-ZBFHGGJFSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@@H](CNC(=O)[C@H](OC)C1CC1)NCc1ccc(C#N)s1 ZINC001405216446 1164017404 /nfs/dbraw/zinc/01/74/04/1164017404.db2.gz IAZXFEQGBFKNTJ-SWLSCSKDSA-N 0 3 321.446 2.029 20 30 DEEDHN CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NCC=C(Cl)Cl ZINC001405225254 1164021112 /nfs/dbraw/zinc/02/11/12/1164021112.db2.gz STWYJGUFMGANRE-JTQLQIEISA-N 0 3 315.204 2.303 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ncccn2)CCCC[C@H]1C ZINC001405450252 1164097504 /nfs/dbraw/zinc/09/75/04/1164097504.db2.gz AHOUJBWBKJBXBR-WBMJQRKESA-N 0 3 322.840 2.497 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)C1=COCCC1 ZINC001405647691 1164173842 /nfs/dbraw/zinc/17/38/42/1164173842.db2.gz ZDNPWUYSRKPAPT-AWEZNQCLSA-N 0 3 313.401 2.094 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(OC)ccn1)C(C)C ZINC001406035366 1164401018 /nfs/dbraw/zinc/40/10/18/1164401018.db2.gz IBLLKUXEVBUSOF-AWEZNQCLSA-N 0 3 311.813 2.187 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CCC1CC1 ZINC001406455711 1164615712 /nfs/dbraw/zinc/61/57/12/1164615712.db2.gz QEDIBFRRAFGHJF-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001406463171 1164620266 /nfs/dbraw/zinc/62/02/66/1164620266.db2.gz JSLDJRSEBPLMOD-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001407108209 1164979527 /nfs/dbraw/zinc/97/95/27/1164979527.db2.gz WHOLAKYLNSCBQU-STQMWFEESA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CN1CCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001415131893 1166138327 /nfs/dbraw/zinc/13/83/27/1166138327.db2.gz IITZTRYYHVWWAL-UHFFFAOYSA-N 0 3 313.873 2.148 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001417780965 1167209225 /nfs/dbraw/zinc/20/92/25/1167209225.db2.gz HZSYBDHPJAMNEY-OBJOEFQTSA-N 0 3 305.809 2.484 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001417893596 1167288242 /nfs/dbraw/zinc/28/82/42/1167288242.db2.gz XMZMPXFKOBOUOD-OCCSQVGLSA-N 0 3 310.829 2.145 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)c2cc[nH]c2)C2CC2)s1 ZINC001417991205 1167349188 /nfs/dbraw/zinc/34/91/88/1167349188.db2.gz PCYKZHWCZPCDTB-OAHLLOKOSA-N 0 3 314.414 2.246 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CNC(=O)c2cc[nH]c2)C2CC2)s1 ZINC001417991202 1167349280 /nfs/dbraw/zinc/34/92/80/1167349280.db2.gz PCYKZHWCZPCDTB-HNNXBMFYSA-N 0 3 314.414 2.246 20 30 DEEDHN C[C@@H](CCNC(=O)c1ccccn1)NCc1ccccc1C#N ZINC001418386204 1167616328 /nfs/dbraw/zinc/61/63/28/1167616328.db2.gz TVWURKBHLBNUNX-AWEZNQCLSA-N 0 3 308.385 2.251 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(Cl)n[nH]c1CC ZINC001418401960 1167628570 /nfs/dbraw/zinc/62/85/70/1167628570.db2.gz KXICJWBAIAEKFC-VIFPVBQESA-N 0 3 319.236 2.476 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001419599752 1168654081 /nfs/dbraw/zinc/65/40/81/1168654081.db2.gz DHIBQCMJAZXOIH-BFHYXJOUSA-N 0 3 322.840 2.236 20 30 DEEDHN C[C@H](CNC(=O)c1ccco1)NCc1ccc(C#N)c(F)c1 ZINC001419714896 1168816924 /nfs/dbraw/zinc/81/69/24/1168816924.db2.gz VTAGIRULKCGSCM-LLVKDONJSA-N 0 3 301.321 2.198 20 30 DEEDHN Cc1ccncc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001419716944 1168817324 /nfs/dbraw/zinc/81/73/24/1168817324.db2.gz JTSHTMXTPHTNLQ-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@H](CNC(=O)CC1CCC1)NCc1ccc(C#N)c(F)c1 ZINC001419716343 1168817454 /nfs/dbraw/zinc/81/74/54/1168817454.db2.gz IGSNDVQEHUIPGJ-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H](C)CCNC(=O)[C@@H](C)C#N ZINC001420070691 1169137980 /nfs/dbraw/zinc/13/79/80/1169137980.db2.gz XHLMRDSNIIOHTK-NWDGAFQWSA-N 0 3 306.410 2.251 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC001420103541 1169164287 /nfs/dbraw/zinc/16/42/87/1169164287.db2.gz LSIRNTYECWEPLB-GFCCVEGCSA-N 0 3 312.845 2.489 20 30 DEEDHN Cc1cccnc1CN1CCC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421285205 1171673746 /nfs/dbraw/zinc/67/37/46/1171673746.db2.gz WLFODLRDAZYIRN-MAUKXSAKSA-N 0 3 314.433 2.268 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN[C@@H](CO)c2cccc(F)c2)c1 ZINC001421642472 1171879234 /nfs/dbraw/zinc/87/92/34/1171879234.db2.gz TZZSEXXZJYIIGC-IRXDYDNUSA-N 0 3 300.333 2.054 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1cccn1C ZINC001421689725 1171901856 /nfs/dbraw/zinc/90/18/56/1171901856.db2.gz RQWAGPJZFZROLL-AWEZNQCLSA-N 0 3 310.401 2.052 20 30 DEEDHN CO[C@@H](C(=O)NC[C@H](C)CNCc1ccccc1C#N)C(C)C ZINC001421727989 1171937081 /nfs/dbraw/zinc/93/70/81/1171937081.db2.gz UPEFJZNQEWMOSK-RHSMWYFYSA-N 0 3 317.433 2.071 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cn(C)nc2C)CCCC1 ZINC001421811857 1172009380 /nfs/dbraw/zinc/00/93/80/1172009380.db2.gz FUORAODOVBNWMB-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN CCc1nc(C)c(CN2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)o1 ZINC001421816984 1172012233 /nfs/dbraw/zinc/01/22/33/1172012233.db2.gz FBYDAMPACSBTQC-OCCSQVGLSA-N 0 3 318.421 2.176 20 30 DEEDHN CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H](C)C#N ZINC001422005559 1172224882 /nfs/dbraw/zinc/22/48/82/1172224882.db2.gz KUDZSVYXXDIZNX-STQMWFEESA-N 0 3 318.446 2.400 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H](C)NC(=O)CCCF ZINC001422367350 1172521525 /nfs/dbraw/zinc/52/15/25/1172521525.db2.gz JSOJONZTEICRBL-STQMWFEESA-N 0 3 321.396 2.299 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001422711287 1172824669 /nfs/dbraw/zinc/82/46/69/1172824669.db2.gz QZGPOSYLRSNVJM-NJZAAPMLSA-N 0 3 303.381 2.338 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001423003072 1173009652 /nfs/dbraw/zinc/00/96/52/1173009652.db2.gz BBOMLWYPGMBEPX-GDBMZVCRSA-N 0 3 321.371 2.430 20 30 DEEDHN CCOC(=O)N1CCC(C)(CNCC2(C#N)CCOCC2)CC1 ZINC001423493467 1173372285 /nfs/dbraw/zinc/37/22/85/1173372285.db2.gz XJMVXMUPMVDPJG-UHFFFAOYSA-N 0 3 323.437 2.155 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001425409790 1174308804 /nfs/dbraw/zinc/30/88/04/1174308804.db2.gz YUIJOBWGVJCQHC-NGFQHRJXSA-N 0 3 312.841 2.038 20 30 DEEDHN N#Cc1nc(N2CCN[C@H](c3ccc(O)cc3)C2)ccc1Cl ZINC001434447317 1178567412 /nfs/dbraw/zinc/56/74/12/1178567412.db2.gz RQHYSGOBQXIBCZ-HNNXBMFYSA-N 0 3 314.776 2.463 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001436416395 1179087382 /nfs/dbraw/zinc/08/73/82/1179087382.db2.gz VCTLLIWISZXJHE-UONOGXRCSA-N 0 3 324.856 2.196 20 30 DEEDHN CC[C@H](F)CN(C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001436835500 1179272453 /nfs/dbraw/zinc/27/24/53/1179272453.db2.gz FYYDDWCJOSDCEQ-ZFWWWQNUSA-N 0 3 320.412 2.418 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC001437036496 1179367271 /nfs/dbraw/zinc/36/72/71/1179367271.db2.gz PCVSJWLOCBOGGY-OAHLLOKOSA-N 0 3 313.873 2.194 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438625823 1180689829 /nfs/dbraw/zinc/68/98/29/1180689829.db2.gz ARAJQXXQXYJAOS-QWHCGFSZSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CC[C@H]1CCOC1)C(C)C ZINC001438804613 1180817849 /nfs/dbraw/zinc/81/78/49/1180817849.db2.gz PXXIEILCAWJTOH-UONOGXRCSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)c1c[nH]c(C#N)c1 ZINC001439109921 1180886774 /nfs/dbraw/zinc/88/67/74/1180886774.db2.gz MFEVXTBDQHLGAD-NEPJUHHUSA-N 0 3 314.364 2.495 20 30 DEEDHN Cc1ccn(C)c1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001439207910 1180937786 /nfs/dbraw/zinc/93/77/86/1180937786.db2.gz NJWOZBUGULWRFQ-LBPRGKRZSA-N 0 3 316.430 2.175 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439361727 1181043722 /nfs/dbraw/zinc/04/37/22/1181043722.db2.gz LAHNHZQUCKDBHU-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2cncs2)CC(C)(C)C1 ZINC001440537856 1181587355 /nfs/dbraw/zinc/58/73/55/1181587355.db2.gz REYGGNXXLMHKII-QWHCGFSZSA-N 0 3 320.462 2.410 20 30 DEEDHN Cc1ncoc1C(=O)N[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001440775912 1181684720 /nfs/dbraw/zinc/68/47/20/1181684720.db2.gz KVJRFWSXULHFTA-VHSXEESVSA-N 0 3 318.402 2.213 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440910856 1181765149 /nfs/dbraw/zinc/76/51/49/1181765149.db2.gz JGDNDQVLGNVVBB-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN Cc1nocc1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440960870 1181800213 /nfs/dbraw/zinc/80/02/13/1181800213.db2.gz AEFLMIUNLASJEV-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@H](CNC(=O)C1=CCCC1)NCc1ccc(C#N)c(F)c1 ZINC001441796550 1182166671 /nfs/dbraw/zinc/16/66/71/1182166671.db2.gz RKAHXAPSPQGLJN-GFCCVEGCSA-N 0 3 301.365 2.402 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)CC(F)(F)F ZINC001442241670 1182386988 /nfs/dbraw/zinc/38/69/88/1182386988.db2.gz OLMVMRUUJHIZBR-MRVPVSSYSA-N 0 3 317.149 2.332 20 30 DEEDHN C=C(Cl)CN1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001443578789 1183039325 /nfs/dbraw/zinc/03/93/25/1183039325.db2.gz MTGINRCAKUTYMK-UHFFFAOYSA-N 0 3 313.873 2.051 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NCc1cc(C#N)ccc1OC ZINC001443959733 1183225969 /nfs/dbraw/zinc/22/59/69/1183225969.db2.gz GSYMLCVOQLKVER-UHOFOFEASA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1 ZINC001444077719 1183280595 /nfs/dbraw/zinc/28/05/95/1183280595.db2.gz WJFSRTRPDXLUBR-SEBNEYGDSA-N 0 3 324.852 2.181 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001444132343 1183296221 /nfs/dbraw/zinc/29/62/21/1183296221.db2.gz CGNRMJVZECUYRC-HNNXBMFYSA-N 0 3 309.797 2.028 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001445367945 1183850990 /nfs/dbraw/zinc/85/09/90/1183850990.db2.gz AKVATOBKIZOUJE-RABLLNBGSA-N 0 3 303.431 2.260 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)[C@H](F)C(C)C ZINC001445590513 1183922447 /nfs/dbraw/zinc/92/24/47/1183922447.db2.gz NFIWHUNMTCHWDW-BLLLJJGKSA-N 0 3 321.396 2.155 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001445592227 1183923584 /nfs/dbraw/zinc/92/35/84/1183923584.db2.gz VWCKMMVHERAUMX-XHDPSFHLSA-N 0 3 309.360 2.286 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC001445961594 1184151412 /nfs/dbraw/zinc/15/14/12/1184151412.db2.gz QMTGYYJONDHXOE-RGYTYGDFSA-N 0 3 315.392 2.338 20 30 DEEDHN Cc1ncccc1CN1CCC[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001446654946 1184475759 /nfs/dbraw/zinc/47/57/59/1184475759.db2.gz ALAJITONRNCZBV-RDTXWAMCSA-N 0 3 314.433 2.268 20 30 DEEDHN C[C@@H](NCc1ccccc1F)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001447859127 1184898958 /nfs/dbraw/zinc/89/89/58/1184898958.db2.gz VJKJEHPDSAAQAC-NEPJUHHUSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001447944184 1184970172 /nfs/dbraw/zinc/97/01/72/1184970172.db2.gz KWDHNFNWKWPXCY-CYBMUJFWSA-N 0 3 312.845 2.271 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001448527045 1185275947 /nfs/dbraw/zinc/27/59/47/1185275947.db2.gz QAUIFABFIRONEB-IJLUTSLNSA-N 0 3 313.239 2.180 20 30 DEEDHN N#Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164727995 720326774 /nfs/dbraw/zinc/32/67/74/720326774.db2.gz VDQRAGVYXALYHW-SJORKVTESA-N 0 3 305.385 2.201 20 30 DEEDHN COCC#CCN[C@H]1C[C@H](C)N(C(=O)c2csc(C)c2C)C1 ZINC001331989080 1149803846 /nfs/dbraw/zinc/80/38/46/1149803846.db2.gz CKAVAQJRPIANFV-WFASDCNBSA-N 0 3 320.458 2.207 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)COc2cc(C)ccc2C)C1 ZINC001332046435 1149812770 /nfs/dbraw/zinc/81/27/70/1149812770.db2.gz HBCMJPWOPDORRB-IRXDYDNUSA-N 0 3 314.429 2.285 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)COCc2ncc(C)o2)[C@@H]1C ZINC001332185119 1149831908 /nfs/dbraw/zinc/83/19/08/1149831908.db2.gz NBZAKPGIQQLYBY-GJZGRUSLSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001407032627 1164934491 /nfs/dbraw/zinc/93/44/91/1164934491.db2.gz RSAUUESCVVPPQU-MRXNPFEDSA-N 0 3 313.873 2.005 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc(C)cn2)CC(C)(C)C1 ZINC001089308232 782457096 /nfs/dbraw/zinc/45/70/96/782457096.db2.gz AICYRJLYAHWWOX-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN C#CCCN(CCNC(=O)c1cc(C)cc(C)c1)CCOC ZINC001332927583 1149925699 /nfs/dbraw/zinc/92/56/99/1149925699.db2.gz JWRWKYVCKJFKIT-UHFFFAOYSA-N 0 3 302.418 2.005 20 30 DEEDHN CC/C=C(/C)C(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001332940910 1149929531 /nfs/dbraw/zinc/92/95/31/1149929531.db2.gz RPVKABITLNSYKK-MVMZHWFQSA-N 0 3 306.450 2.209 20 30 DEEDHN N#Cc1nc(O[C@H]2CN3CCC2CC3)ccc1Br ZINC001234639725 782614387 /nfs/dbraw/zinc/61/43/87/782614387.db2.gz BMRVFGKVESEVMT-LBPRGKRZSA-N 0 3 308.179 2.189 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)NC(C)=O ZINC001099245077 782869186 /nfs/dbraw/zinc/86/91/86/782869186.db2.gz GWCTWOBSEONMKB-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)n2cccc2)CC(C)(C)C1 ZINC001089362354 783030461 /nfs/dbraw/zinc/03/04/61/783030461.db2.gz FLKSUUHGMKOADN-HZPDHXFCSA-N 0 3 301.434 2.289 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2csnc2C)CC(C)(C)C1 ZINC001089365211 783035566 /nfs/dbraw/zinc/03/55/66/783035566.db2.gz MMHBYKJBXCFCKA-CYBMUJFWSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2coc(C)n2)CC(C)(C)C1 ZINC001089373195 783055889 /nfs/dbraw/zinc/05/58/89/783055889.db2.gz VLERRISUXJOWJI-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccn(C(F)F)n2)CC(C)(C)C1 ZINC001089396894 783066164 /nfs/dbraw/zinc/06/61/64/783066164.db2.gz JNIDDYJPOIWYJO-GFCCVEGCSA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc3cc[nH]c3c2)CC(C)(C)C1 ZINC001089415782 783082988 /nfs/dbraw/zinc/08/29/88/783082988.db2.gz CNXNDIVCFJCTPL-OAHLLOKOSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)CC(C)(C)C1 ZINC001089438552 783107130 /nfs/dbraw/zinc/10/71/30/783107130.db2.gz JWOPGWFPPKRVES-MDZRGWNJSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(COC)o2)CC(C)(C)C1 ZINC001089436073 783107537 /nfs/dbraw/zinc/10/75/37/783107537.db2.gz SGXCMONEMAEHKI-AWEZNQCLSA-N 0 3 318.417 2.280 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)CC(C)(C)C1 ZINC001089441441 783109814 /nfs/dbraw/zinc/10/98/14/783109814.db2.gz GTTZZPINBRVRJK-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2conc2C(C)C)C[C@H]1C ZINC000947385972 783123317 /nfs/dbraw/zinc/12/33/17/783123317.db2.gz BQFYESYDWPZMAR-KGLIPLIRSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2F)C[C@@H]1C ZINC000947383786 783123555 /nfs/dbraw/zinc/12/35/55/783123555.db2.gz QOVFZTMDMHSOGI-UONOGXRCSA-N 0 3 317.408 2.108 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)sc2C)C[C@@H]1C ZINC000947442816 783138646 /nfs/dbraw/zinc/13/86/46/783138646.db2.gz ZLXWWCPQJNGPKA-FZMZJTMJSA-N 0 3 305.447 2.366 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C[C@@H]1C ZINC000947464236 783142953 /nfs/dbraw/zinc/14/29/53/783142953.db2.gz TWDVPBYAWVUWJN-UONOGXRCSA-N 0 3 302.422 2.116 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)C[C@H]1C ZINC000947469054 783145203 /nfs/dbraw/zinc/14/52/03/783145203.db2.gz VIWNTBQXTQRTTE-RISCZKNCSA-N 0 3 318.421 2.050 20 30 DEEDHN CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212240724 783164069 /nfs/dbraw/zinc/16/40/69/783164069.db2.gz BPHSZYYUERFBIT-IAGOWNOFSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)[nH]c2C)CC(C)(C)C1 ZINC001089502616 783168674 /nfs/dbraw/zinc/16/86/74/783168674.db2.gz QJCZEQJBOYXPAU-OAHLLOKOSA-N 0 3 301.434 2.485 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)C[C@@H]1C ZINC000947596596 783184493 /nfs/dbraw/zinc/18/44/93/783184493.db2.gz CARHCYYLXDHCKT-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ncoc2C2CC2)CC(C)(C)C1 ZINC001089535708 783186939 /nfs/dbraw/zinc/18/69/39/783186939.db2.gz OXVJBHNLNQIXDN-AWEZNQCLSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nocc2C)CC(C)(C)C1 ZINC001089535924 783189185 /nfs/dbraw/zinc/18/91/85/783189185.db2.gz XYUYUXDSYZSEJG-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001170963589 790334529 /nfs/dbraw/zinc/33/45/29/790334529.db2.gz RHFOQBGLDFYNAH-ZDUSSCGKSA-N 0 3 315.421 2.412 20 30 DEEDHN C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001170964287 790335339 /nfs/dbraw/zinc/33/53/39/790335339.db2.gz ZRZLONFOGKYQDY-GFCCVEGCSA-N 0 3 301.394 2.022 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CO[C@@H]3CCCC[C@H]3C)C2)C1 ZINC001073026796 790401080 /nfs/dbraw/zinc/40/10/80/790401080.db2.gz PQPDPWLORIZXTI-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@H](O)C1 ZINC001090620929 790404968 /nfs/dbraw/zinc/40/49/68/790404968.db2.gz OKLGZIHCKUDVEY-VXGBXAGGSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCO[C@@H](C(C)C)C3)C2)C1 ZINC001073106355 790457794 /nfs/dbraw/zinc/45/77/94/790457794.db2.gz ZBURZPVXGGOQGK-JKSUJKDBSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c[nH]nc3C(C)(C)C)C2)C1 ZINC001073116365 790464656 /nfs/dbraw/zinc/46/46/56/790464656.db2.gz MPPQBADZKLOJNQ-UHFFFAOYSA-N 0 3 302.422 2.041 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001167292988 776847393 /nfs/dbraw/zinc/84/73/93/776847393.db2.gz NTGNEYUOMWSPPA-CHWSQXEVSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3ccc(Cl)cc3)C2)C1 ZINC001073158046 790493540 /nfs/dbraw/zinc/49/35/40/790493540.db2.gz JMEAVKZVQGBMIW-UHFFFAOYSA-N 0 3 320.820 2.439 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCCn1nc(C)cc1C ZINC001167457224 777092402 /nfs/dbraw/zinc/09/24/02/777092402.db2.gz VKIMOLMUAKJIDK-UHFFFAOYSA-N 0 3 312.845 2.129 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CCCC1)C[C@H](C)O2 ZINC001098554314 777153828 /nfs/dbraw/zinc/15/38/28/777153828.db2.gz QAVFFFSHTOPMJI-HNNXBMFYSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCOC)CCCC1)C2 ZINC001111484098 777200576 /nfs/dbraw/zinc/20/05/76/777200576.db2.gz VFOZAGOHAQWVRB-ZACQAIPSSA-N 0 3 318.461 2.328 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)CCn2nc(C)cc2C)C1 ZINC001100551873 777219220 /nfs/dbraw/zinc/21/92/20/777219220.db2.gz YNRRVULRNXNCCN-UHFFFAOYSA-N 0 3 324.856 2.127 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H](O)C1 ZINC001090779319 790525450 /nfs/dbraw/zinc/52/54/50/790525450.db2.gz DBTKPCIINPBEKW-DLBZAZTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCCCC(=O)N1CCC(C)(NC(=O)CN(C)CCC)CC1 ZINC001073226033 790529670 /nfs/dbraw/zinc/52/96/70/790529670.db2.gz HZFMXKNVRGWMNF-UHFFFAOYSA-N 0 3 323.481 2.182 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(F)c(C#N)c2)oc1C ZINC001125701968 777566123 /nfs/dbraw/zinc/56/61/23/777566123.db2.gz ZQUXODMLHZXTOY-UHFFFAOYSA-N 0 3 315.348 2.427 20 30 DEEDHN N#Cc1ccc(C(=O)NCCNCc2cccc(Cl)c2)[nH]1 ZINC001125776635 777647644 /nfs/dbraw/zinc/64/76/44/777647644.db2.gz SRUGKPBDWYXGOH-UHFFFAOYSA-N 0 3 302.765 2.059 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccn3)C(C)(C)[C@@H]21 ZINC001087269595 777673784 /nfs/dbraw/zinc/67/37/84/777673784.db2.gz MJPYSFKNHSKTGJ-DJIMGWMZSA-N 0 3 311.429 2.324 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C)no1 ZINC001087270914 777677300 /nfs/dbraw/zinc/67/73/00/777677300.db2.gz INPKUMWZHOBTGF-VNQPRFMTSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1occc1C ZINC001087274615 777687968 /nfs/dbraw/zinc/68/79/68/777687968.db2.gz UFSUNZLKXQEPRC-VNQPRFMTSA-N 0 3 300.402 2.440 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C(C)(C)[C@H]21 ZINC001087300749 777748962 /nfs/dbraw/zinc/74/89/62/777748962.db2.gz QEJCLIKLYCBONF-YTLBIWTGSA-N 0 3 300.446 2.271 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3conc3C)C(C)(C)[C@H]21 ZINC001087303556 777755368 /nfs/dbraw/zinc/75/53/68/777755368.db2.gz OEACAZBMUVTQAG-BMFZPTHFSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ncccc3F)C(C)(C)[C@H]21 ZINC001087310342 777768427 /nfs/dbraw/zinc/76/84/27/777768427.db2.gz VBYJOZVGMRITGK-KCXAZCMYSA-N 0 3 315.392 2.073 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)Cc3ccc[nH]3)C(C)(C)[C@@H]21 ZINC001087319959 777783905 /nfs/dbraw/zinc/78/39/05/777783905.db2.gz WZWOKPTUYQSWLY-KBAYOESNSA-N 0 3 313.445 2.186 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1c1ccccc1 ZINC001211647296 778019657 /nfs/dbraw/zinc/01/96/57/778019657.db2.gz YPCPIBOYKUXWOO-RCCFBDPRSA-N 0 3 314.429 2.019 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)CC(C)C)C2)nn1 ZINC001098601057 778050965 /nfs/dbraw/zinc/05/09/65/778050965.db2.gz LATDIGUYRRPYNX-MRXNPFEDSA-N 0 3 319.453 2.153 20 30 DEEDHN C=C[C@@H](C(=O)N1CCO[C@@H]2CN(CCC)C[C@@H]21)c1ccccc1 ZINC001083282746 778063678 /nfs/dbraw/zinc/06/36/78/778063678.db2.gz RLXZRRTZTQBPGT-FGTMMUONSA-N 0 3 314.429 2.278 20 30 DEEDHN C#CCCCCC(=O)NCCNCc1cc(F)c(OC)c(F)c1 ZINC001125938426 778430458 /nfs/dbraw/zinc/43/04/58/778430458.db2.gz ACXLPPKWJFFFLG-UHFFFAOYSA-N 0 3 324.371 2.373 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001075658647 778920184 /nfs/dbraw/zinc/92/01/84/778920184.db2.gz MCLYAYVOWYNGQS-FUHWJXTLSA-N 0 3 320.396 2.233 20 30 DEEDHN N#CC(C(=O)CCCCNC(N)=O)c1ccc2ccccc2n1 ZINC000729067520 778923354 /nfs/dbraw/zinc/92/33/54/778923354.db2.gz LGKYTAGFHZENJW-CYBMUJFWSA-N 0 3 310.357 2.250 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001167956559 779037763 /nfs/dbraw/zinc/03/77/63/779037763.db2.gz CCRITGQBQOTOOC-KBPBESRZSA-N 0 3 300.830 2.206 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112150673 779187788 /nfs/dbraw/zinc/18/77/88/779187788.db2.gz CXMTUHIHLPZBKT-JHJVBQTASA-N 0 3 322.371 2.214 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@H]1CC ZINC001087655027 779397450 /nfs/dbraw/zinc/39/74/50/779397450.db2.gz FDEBBDATVHGFJA-HRCADAONSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(OCC)n2)[C@H]1CC ZINC001087666025 779403957 /nfs/dbraw/zinc/40/39/57/779403957.db2.gz WRUUBBXUNUUSBQ-JKSUJKDBSA-N 0 3 317.433 2.178 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN2CCC[C@H]2C)[C@H]1CC ZINC001087725488 779424899 /nfs/dbraw/zinc/42/48/99/779424899.db2.gz QQWZMXVLGRDCHI-QLFBSQMISA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)[C@H]1CC ZINC001087758571 779438175 /nfs/dbraw/zinc/43/81/75/779438175.db2.gz AMIPWKPJZGYSEX-DLBZAZTESA-N 0 3 300.402 2.486 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C(C)C)nn2)[C@H]1CC ZINC001087776862 779446055 /nfs/dbraw/zinc/44/60/55/779446055.db2.gz BCTFFYHSOXMFJT-DZGCQCFKSA-N 0 3 305.426 2.018 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)COC3)[C@H]1CC ZINC001087808809 779460783 /nfs/dbraw/zinc/46/07/83/779460783.db2.gz KWGPQKIGLWPQNS-ZWKOTPCHSA-N 0 3 314.429 2.414 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2OCC)[C@H]1CC ZINC001087815818 779464654 /nfs/dbraw/zinc/46/46/54/779464654.db2.gz FEJBWFAHMSYNGQ-LSDHHAIUSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncccc2OCC)[C@H]1CC ZINC001087852755 779485862 /nfs/dbraw/zinc/48/58/62/779485862.db2.gz HGVLSJQQRCAETP-LSDHHAIUSA-N 0 3 315.417 2.086 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001087909332 779535120 /nfs/dbraw/zinc/53/51/20/779535120.db2.gz IOZRLZVFBWXZAJ-BMFZPTHFSA-N 0 3 315.392 2.266 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)C[C@@H]2C1 ZINC001088098081 779699483 /nfs/dbraw/zinc/69/94/83/779699483.db2.gz UNCRSSHZBHGWJO-DFEOGRTESA-N 0 3 300.446 2.370 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001073580668 790728240 /nfs/dbraw/zinc/72/82/40/790728240.db2.gz HYZFUMCPSFIPJP-LBPRGKRZSA-N 0 3 312.797 2.330 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccsc3C)C[C@@H]2C1 ZINC001088130607 779719873 /nfs/dbraw/zinc/71/98/73/779719873.db2.gz WVWHDJIRHZBKPL-CVEARBPZSA-N 0 3 302.443 2.013 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3scnc3C3CC3)C[C@@H]2C1 ZINC001088133345 779720782 /nfs/dbraw/zinc/72/07/82/779720782.db2.gz CKSAQJSQTRARCC-KGLIPLIRSA-N 0 3 315.442 2.048 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ncccc3Cl)C[C@@H]2C1 ZINC001088177346 779758983 /nfs/dbraw/zinc/75/89/83/779758983.db2.gz RMUDAIOENGOQOO-KGLIPLIRSA-N 0 3 317.820 2.152 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@]3(C)CCc4ccccc43)C[C@@H]2C1 ZINC001088216446 779777349 /nfs/dbraw/zinc/77/73/49/779777349.db2.gz ITIRLGPVAHCQMD-LVCYWYKZSA-N 0 3 322.452 2.304 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@@H](NCc2ccns2)C1 ZINC001088281191 779902427 /nfs/dbraw/zinc/90/24/27/779902427.db2.gz IZZJPEAIUKBHCA-CHWSQXEVSA-N 0 3 306.435 2.164 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](NCc2cccnc2)[C@H]1C ZINC000986361554 780254780 /nfs/dbraw/zinc/25/47/80/780254780.db2.gz CJAMXXFTQSAHQA-NVXWUHKLSA-N 0 3 324.428 2.462 20 30 DEEDHN C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001059790289 780390064 /nfs/dbraw/zinc/39/00/64/780390064.db2.gz OXPBEXFBLUMHMF-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001059858546 780452949 /nfs/dbraw/zinc/45/29/49/780452949.db2.gz VNRNWJFVXHUIHC-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@H](OC)C1 ZINC001211939121 780518363 /nfs/dbraw/zinc/51/83/63/780518363.db2.gz MDSSFKQUYGPJRQ-HZPDHXFCSA-N 0 3 322.453 2.118 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1OC ZINC001211994593 780574329 /nfs/dbraw/zinc/57/43/29/780574329.db2.gz DURAEWFPOCTDLX-MRTSCVAPSA-N 0 3 324.465 2.139 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2C)[C@H]1C ZINC001088605848 780577518 /nfs/dbraw/zinc/57/75/18/780577518.db2.gz LGAVODHJWOJSKS-ZBFHGGJFSA-N 0 3 316.449 2.162 20 30 DEEDHN COc1ccc2c(c1)C[C@H](N1CCC3SC(=O)C=C3C1)C2 ZINC001168268224 780578770 /nfs/dbraw/zinc/57/87/70/780578770.db2.gz OVGNMIPDMDDSLQ-GDBMZVCRSA-N 0 3 301.411 2.437 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1OC ZINC001211999267 780579155 /nfs/dbraw/zinc/57/91/55/780579155.db2.gz DJQKKYJSLMAJSK-IAGOWNOFSA-N 0 3 302.418 2.011 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H]1C ZINC001088610867 780612202 /nfs/dbraw/zinc/61/22/02/780612202.db2.gz PFOONHODBUHEMD-QAPCUYQASA-N 0 3 309.413 2.464 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)[C@H]1C ZINC001088632562 780668936 /nfs/dbraw/zinc/66/89/36/780668936.db2.gz TXMVOTNICMPFNC-OIISXLGYSA-N 0 3 313.445 2.375 20 30 DEEDHN C=C(C)CCN1CC[C@@]2(NC(=O)c3cnns3)CCC[C@@H]12 ZINC000989975731 780850341 /nfs/dbraw/zinc/85/03/41/780850341.db2.gz AYQFFGBAIWFORM-HIFRSBDPSA-N 0 3 306.435 2.231 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2n[nH]c(C3CC3)c2Cl)[C@H]1C ZINC001088704878 780874205 /nfs/dbraw/zinc/87/42/05/780874205.db2.gz JONJLUIBLFKTHT-PWSUYJOCSA-N 0 3 320.824 2.156 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc4cnccc43)[C@@H]2C1 ZINC001075948829 780879724 /nfs/dbraw/zinc/87/97/24/780879724.db2.gz KFTMTYAXQJJSNP-PKOBYXMFSA-N 0 3 321.424 2.496 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@H]1C ZINC001088721119 780914971 /nfs/dbraw/zinc/91/49/71/780914971.db2.gz BZHZTCBNJYMXJE-KMFMINBZSA-N 0 3 300.402 2.145 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)[C@H]1C ZINC001088753548 780941579 /nfs/dbraw/zinc/94/15/79/780941579.db2.gz YZUNWAXQWLNWDG-RISCZKNCSA-N 0 3 301.390 2.076 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3cc(C)no3)CC2)[C@H]1C ZINC001088815499 781041993 /nfs/dbraw/zinc/04/19/93/781041993.db2.gz 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CC(C)=CCN1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111599637 781811658 /nfs/dbraw/zinc/81/16/58/781811658.db2.gz AAGFRXBPOVURIC-HOCLYGCPSA-N 0 3 307.463 2.180 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](CN[C@@H](C)c2nnc(CC)[nH]2)[C@H](C)C1 ZINC001105929476 781872178 /nfs/dbraw/zinc/87/21/78/781872178.db2.gz RNFOEMIFJQGSAR-HZSPNIEDSA-N 0 3 319.453 2.078 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ncccc2Cl)C1 ZINC001073863186 790923227 /nfs/dbraw/zinc/92/32/27/790923227.db2.gz ISESMYPAZNLWIS-CYBMUJFWSA-N 0 3 323.824 2.132 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@@H]1C ZINC000947886050 783257796 /nfs/dbraw/zinc/25/77/96/783257796.db2.gz FUTGDRPMFMQPNC-YOEHRIQHSA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2csc(Cl)n2)C[C@H]1C ZINC000947895556 783262365 /nfs/dbraw/zinc/26/23/65/783262365.db2.gz OIKVATKDVMRLDS-MNOVXSKESA-N 0 3 311.838 2.403 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2csc(Cl)n2)C[C@H]1C ZINC000947895555 783261926 /nfs/dbraw/zinc/26/19/26/783261926.db2.gz 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C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ncccn1 ZINC001089712118 783373018 /nfs/dbraw/zinc/37/30/18/783373018.db2.gz LYGYIBTYAKBFKW-AWEZNQCLSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccnc(F)c2)CC1 ZINC000948232083 783384764 /nfs/dbraw/zinc/38/47/64/783384764.db2.gz PPVMSUWPLPXPFO-HNNXBMFYSA-N 0 3 303.381 2.171 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001089746038 783409210 /nfs/dbraw/zinc/40/92/10/783409210.db2.gz LPLRFHPOTZPYMO-USZNOCQGSA-N 0 3 304.768 2.173 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c(C)ccn2C)CC1 ZINC000948330892 783429573 /nfs/dbraw/zinc/42/95/73/783429573.db2.gz VZKDGRGZWRKCHH-MRXNPFEDSA-N 0 3 301.434 2.283 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)sn2)CC1 ZINC000948333184 783431356 /nfs/dbraw/zinc/43/13/56/783431356.db2.gz HLDNDWPQIVPLOZ-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c[nH]c(CC(C)C)n2)CC1 ZINC000948372429 783443934 /nfs/dbraw/zinc/44/39/34/783443934.db2.gz 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C#CCOc1ccc(C(=O)N[C@@H]2CN(CC)CC[C@@H]2C)cc1 ZINC000968390066 784349761 /nfs/dbraw/zinc/34/97/61/784349761.db2.gz FBQKJXLOWBKXLL-WMLDXEAASA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCCCC(C)C)[C@@H](O)C1 ZINC001100024604 784358086 /nfs/dbraw/zinc/35/80/86/784358086.db2.gz MQICRRZIEUZTTP-SJORKVTESA-N 0 3 308.466 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001086073673 784384995 /nfs/dbraw/zinc/38/49/95/784384995.db2.gz QCLGIJTYOLZWRR-MCIONIFRSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001086108726 784412780 /nfs/dbraw/zinc/41/27/80/784412780.db2.gz KNWGQLMGFXSHFZ-XBXGTLAGSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001086128768 784424844 /nfs/dbraw/zinc/42/48/44/784424844.db2.gz KKWUXZSYHDSRRV-XJFOESAGSA-N 0 3 300.830 2.038 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC000968529199 784448114 /nfs/dbraw/zinc/44/81/14/784448114.db2.gz 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ZINC000968664638 784528883 /nfs/dbraw/zinc/52/88/83/784528883.db2.gz HXHYWZNVIKZZRY-SJLPKXTDSA-N 0 3 323.440 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2COc3ccccc32)C1 ZINC001086285273 784544178 /nfs/dbraw/zinc/54/41/78/784544178.db2.gz ZLRSFIKCEKXIDK-VNHYZAJKSA-N 0 3 320.820 2.400 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC000968703689 784549057 /nfs/dbraw/zinc/54/90/57/784549057.db2.gz YRWCGMDGZBFNLK-DOTOQJQBSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000968713293 784551356 /nfs/dbraw/zinc/55/13/56/784551356.db2.gz MXQADXJAKDSBLP-QAPCUYQASA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1scnc1C ZINC000968758711 784575764 /nfs/dbraw/zinc/57/57/64/784575764.db2.gz QQJIDYIWGNTJQP-CQSZACIVSA-N 0 3 305.447 2.449 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001086367702 784627131 /nfs/dbraw/zinc/62/71/31/784627131.db2.gz AOSVNSUECZZFER-AJNGGQMLSA-N 0 3 314.857 2.284 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](NCc2cncs2)C1 ZINC000968918115 784648912 /nfs/dbraw/zinc/64/89/12/784648912.db2.gz RZVXEGVMCZZIAT-CYBMUJFWSA-N 0 3 316.430 2.135 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1CC#CC ZINC000969065905 784713258 /nfs/dbraw/zinc/71/32/58/784713258.db2.gz ZZZRPUHQVFHYEI-BZSNNMDCSA-N 0 3 318.461 2.352 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC000969072674 784714308 /nfs/dbraw/zinc/71/43/08/784714308.db2.gz OYRPDWJYQGLDDQ-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2-c2ccncc2)C1 ZINC000969083444 784719782 /nfs/dbraw/zinc/71/97/82/784719782.db2.gz FIDSCGGXZTWVBK-MRXNPFEDSA-N 0 3 305.381 2.186 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC001086427569 784720394 /nfs/dbraw/zinc/72/03/94/784720394.db2.gz YNYYGDHQQGQTNE-MQMHXKEQSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC000969101220 784729273 /nfs/dbraw/zinc/72/92/73/784729273.db2.gz VATCZSUIPSDHJN-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H]2C[C@H](NCc3ccnn3C)C2)CC1 ZINC001086467456 784760836 /nfs/dbraw/zinc/76/08/36/784760836.db2.gz FBAGVFMEVMODPN-KOMQPUFPSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(CCF)CC1)C[C@@H](C)O2 ZINC001111545493 784817285 /nfs/dbraw/zinc/81/72/85/784817285.db2.gz HUSYUJCPTORKTL-OAHLLOKOSA-N 0 3 324.440 2.394 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001086515755 784821485 /nfs/dbraw/zinc/82/14/85/784821485.db2.gz RNFIWIBCYGXFTG-YIYPIFLZSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)nn2CC)C1 ZINC001091250407 791061041 /nfs/dbraw/zinc/06/10/41/791061041.db2.gz VONPPLWPWOZPKY-UHFFFAOYSA-N 0 3 310.829 2.062 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001007479932 784932207 /nfs/dbraw/zinc/93/22/07/784932207.db2.gz CCFPUSACVJJHAD-OAHLLOKOSA-N 0 3 315.417 2.435 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001007513370 784940641 /nfs/dbraw/zinc/94/06/41/784940641.db2.gz YVGFBCIIPROPJM-AWEZNQCLSA-N 0 3 319.449 2.499 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001007526437 784943871 /nfs/dbraw/zinc/94/38/71/784943871.db2.gz ANQNDYMRFCJIFA-MRXNPFEDSA-N 0 3 324.428 2.169 20 30 DEEDHN CCOCC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001168941042 784974520 /nfs/dbraw/zinc/97/45/20/784974520.db2.gz NTSLZGSJOAOZMS-HNNXBMFYSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001007712490 784980093 /nfs/dbraw/zinc/98/00/93/784980093.db2.gz MVZFNXDNZQQQEC-CQSZACIVSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001007743854 784988249 /nfs/dbraw/zinc/98/82/49/784988249.db2.gz CRHFLLNAMLRLCW-CYBMUJFWSA-N 0 3 304.438 2.478 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001007867446 785031992 /nfs/dbraw/zinc/03/19/92/785031992.db2.gz VOTUKDQAMJVIBZ-INIZCTEOSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001007986426 785067485 /nfs/dbraw/zinc/06/74/85/785067485.db2.gz XSOFAZQTPNFJJK-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN CCn1cc(-n2ccc([C@@H](C)N)n2)c2sc(C#N)cc2c1=O ZINC001169236467 785106921 /nfs/dbraw/zinc/10/69/21/785106921.db2.gz FGAMJYHQNBQFIO-SECBINFHSA-N 0 3 313.386 2.160 20 30 DEEDHN CC(=O)N1CC[C@H](N2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001169557358 785239928 /nfs/dbraw/zinc/23/99/28/785239928.db2.gz YOIMHVQZQYOGDY-INIZCTEOSA-N 0 3 313.401 2.022 20 30 DEEDHN N#Cc1c[nH]c2ncc(N3CCCc4ccc(CN)nc43)cc12 ZINC001169590276 785250163 /nfs/dbraw/zinc/25/01/63/785250163.db2.gz DGHIOYNCMKXFDR-UHFFFAOYSA-N 0 3 304.357 2.373 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001204028935 785344474 /nfs/dbraw/zinc/34/44/74/785344474.db2.gz RUWWJWSSRDMYPN-ZGSOTFDTSA-N 0 3 321.248 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001009071429 785377257 /nfs/dbraw/zinc/37/72/57/785377257.db2.gz FSKZGLMWIKSCFO-CVEARBPZSA-N 0 3 324.428 2.201 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001009279490 785421470 /nfs/dbraw/zinc/42/14/70/785421470.db2.gz YYXRXCNZBVUNCH-INIZCTEOSA-N 0 3 312.417 2.193 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001009642676 785498858 /nfs/dbraw/zinc/49/88/58/785498858.db2.gz LPEQCEGVUFFLAB-WBVHZDCISA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](CC)OC)CCC1 ZINC001109392974 785846069 /nfs/dbraw/zinc/84/60/69/785846069.db2.gz KRHLDQSCRROMJZ-NCOADZHNSA-N 0 3 318.461 2.327 20 30 DEEDHN Cc1ccc(CCN2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001010689814 785896251 /nfs/dbraw/zinc/89/62/51/785896251.db2.gz MBGLFRDWTUTPLP-QGZVFWFLSA-N 0 3 322.412 2.242 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(F)(F)F)C2 ZINC001109548128 785923765 /nfs/dbraw/zinc/92/37/65/785923765.db2.gz OWIAACHONMOXAT-NDBYEHHHSA-N 0 3 302.340 2.320 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC(C)C)C1 ZINC001109696450 785989171 /nfs/dbraw/zinc/98/91/71/785989171.db2.gz BMKZTYMOIRZMOU-PMPSAXMXSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(F)F)C2 ZINC001109733787 786000937 /nfs/dbraw/zinc/00/09/37/786000937.db2.gz GCDTWIAUOOQUFE-MQYQWHSLSA-N 0 3 316.392 2.202 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1(C)CC1)C2 ZINC001109926204 786101700 /nfs/dbraw/zinc/10/17/00/786101700.db2.gz XSGPMBCAWRDGFD-PMPSAXMXSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC001086546174 786189957 /nfs/dbraw/zinc/18/99/57/786189957.db2.gz XIGNIXOCJASNMT-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCOCC(F)F)CC1 ZINC001112861751 786262672 /nfs/dbraw/zinc/26/26/72/786262672.db2.gz SNMODNQPYVMXAZ-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cncc3nc[nH]c32)CC1 ZINC001112867605 786264363 /nfs/dbraw/zinc/26/43/63/786264363.db2.gz YGEJZFFOTXNDHR-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001112982495 786348772 /nfs/dbraw/zinc/34/87/72/786348772.db2.gz SFGRRIUSSRGATH-RBSFLKMASA-N 0 3 302.422 2.012 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC001113505986 786648536 /nfs/dbraw/zinc/64/85/36/786648536.db2.gz RNJUMLSDWKMKQX-CHWSQXEVSA-N 0 3 322.371 2.453 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCC(=O)NCCC)CC1 ZINC001113557610 786688897 /nfs/dbraw/zinc/68/88/97/786688897.db2.gz FRFVFLABWBOEMW-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001113623429 786732954 /nfs/dbraw/zinc/73/29/54/786732954.db2.gz GXBLDXNYXCZASD-ZDUSSCGKSA-N 0 3 304.438 2.068 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCO[C@@H](CC)C1 ZINC001170224741 786869215 /nfs/dbraw/zinc/86/92/15/786869215.db2.gz VSTYNXQPYATLTH-HLLBOEOZSA-N 0 3 319.449 2.480 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOc1ccccc1)C2 ZINC001110097531 786902880 /nfs/dbraw/zinc/90/28/80/786902880.db2.gz NDOYFLAPTZBJOW-NJAFHUGGSA-N 0 3 312.413 2.200 20 30 DEEDHN N#CC1(c2ccccc2)CCC([NH2+]CCCc2c[n-][nH]c2=O)CC1 ZINC001170359365 786921020 /nfs/dbraw/zinc/92/10/20/786921020.db2.gz SWOHBOKSMOQWGI-DMKPSLHHSA-N 0 3 324.428 2.492 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCCNCc1cnc(Cl)s1 ZINC001157719327 786923372 /nfs/dbraw/zinc/92/33/72/786923372.db2.gz YSLOVDODNPOSLU-UHFFFAOYSA-N 0 3 313.854 2.442 20 30 DEEDHN CCOC(=O)C(C#N)Nc1cc(C(=O)OC)cc(C(C)C)c1 ZINC001170371429 786925246 /nfs/dbraw/zinc/92/52/46/786925246.db2.gz SWZBGQXAVRRIJW-AWEZNQCLSA-N 0 3 304.346 2.464 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001015750510 787219972 /nfs/dbraw/zinc/21/99/72/787219972.db2.gz MZAIINIUASRZSD-ZDUSSCGKSA-N 0 3 308.784 2.235 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCCC23CC3)s1 ZINC001130208504 787315408 /nfs/dbraw/zinc/31/54/08/787315408.db2.gz MQSPMBYKEAJNSP-CQSZACIVSA-N 0 3 303.431 2.406 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(C)(C)C)C1 ZINC001130352365 787357823 /nfs/dbraw/zinc/35/78/23/787357823.db2.gz SPOPUIHWVFFFDW-ZDUSSCGKSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCCC(=O)Nc1ccn(C[C@@H]2C[C@H](OC)CN2CC=C)n1 ZINC001130868883 787490836 /nfs/dbraw/zinc/49/08/36/787490836.db2.gz OSDBSHRZKOSDMF-GJZGRUSLSA-N 0 3 318.421 2.063 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCC1CC(NCc2cncs2)C1 ZINC001100166788 787491885 /nfs/dbraw/zinc/49/18/85/787491885.db2.gz QUBTXKBVTYQUKT-HSBZDZAISA-N 0 3 323.462 2.109 20 30 DEEDHN CCOC(=O)C1=C(Nc2ccc3c(c2)CC/C3=N/O)CCNC1 ZINC001170520901 787496273 /nfs/dbraw/zinc/49/62/73/787496273.db2.gz OFDDGIRWGWYYDY-SILNSSARSA-N 0 3 315.373 2.034 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3c4ccccc4C[C@H]13)C2 ZINC001096120872 787512779 /nfs/dbraw/zinc/51/27/79/787512779.db2.gz LIRWUMXYRKWPAP-BBSFQMCSSA-N 0 3 320.436 2.317 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1c(C)noc1C)C2 ZINC001096172557 787557683 /nfs/dbraw/zinc/55/76/83/787557683.db2.gz YYJAXVKKVQOUSY-MWNCTCPHSA-N 0 3 315.417 2.140 20 30 DEEDHN Cc1cnc(C(=O)NCCNCc2ccc(C#N)cc2)cc1C ZINC001131604377 787658653 /nfs/dbraw/zinc/65/86/53/787658653.db2.gz RUVGSYGEIZZYCB-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1OC)C2 ZINC001096425689 787663215 /nfs/dbraw/zinc/66/32/15/787663215.db2.gz BTEJZAFTTNULGL-RDBSUJKOSA-N 0 3 301.390 2.001 20 30 DEEDHN C[C@H](CC(F)(F)F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001131664716 787675566 /nfs/dbraw/zinc/67/55/66/787675566.db2.gz HAMPSVTZPZBDAV-LLVKDONJSA-N 0 3 313.323 2.353 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CCCC1CC1)C[C@H](C)O2 ZINC001131672953 787677554 /nfs/dbraw/zinc/67/75/54/787677554.db2.gz CWBOPFPIHXGRKZ-LPHOPBHVSA-N 0 3 318.461 2.282 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@]2(CCN(CCCF)C2)O1 ZINC001131657016 787678966 /nfs/dbraw/zinc/67/89/66/787678966.db2.gz CQEMIWMJBJMUHW-CRAIPNDOSA-N 0 3 324.440 2.087 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(=O)[nH]c1C)C2 ZINC001096580597 787740877 /nfs/dbraw/zinc/74/08/77/787740877.db2.gz IFWVVIBOVCCYHR-ILXRZTDVSA-N 0 3 315.417 2.315 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001131946736 787830338 /nfs/dbraw/zinc/83/03/38/787830338.db2.gz MHXPVOGPAZAHKO-WBVHZDCISA-N 0 3 302.418 2.358 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132028874 787902691 /nfs/dbraw/zinc/90/26/91/787902691.db2.gz CPPANZOAXJGGIO-FUHWJXTLSA-N 0 3 314.429 2.196 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150768 787945167 /nfs/dbraw/zinc/94/51/67/787945167.db2.gz WIALXBLERWUKRW-CVEARBPZSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(=O)Nc2ccccc2)CC[C@@H]1C ZINC001132160258 787952735 /nfs/dbraw/zinc/95/27/35/787952735.db2.gz JTEMZUSZHBFYJY-HOCLYGCPSA-N 0 3 315.417 2.170 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@@H]1C ZINC001132240306 787991551 /nfs/dbraw/zinc/99/15/51/787991551.db2.gz FESXJOBAXQTZAE-HOCLYGCPSA-N 0 3 317.433 2.265 20 30 DEEDHN CC[C@H](C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1)N(C)C ZINC001097201564 788017906 /nfs/dbraw/zinc/01/79/06/788017906.db2.gz JYZVQSIAALKPBV-BFQNTYOBSA-N 0 3 318.396 2.097 20 30 DEEDHN C=CC(C)(C)C(=O)NCCNCc1cc(F)c(OC)c(F)c1 ZINC001132391714 788053327 /nfs/dbraw/zinc/05/33/27/788053327.db2.gz OTROSDKTVBJRRQ-UHFFFAOYSA-N 0 3 312.360 2.391 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2c(C)n[nH]c2C)CC[C@H]1C ZINC001132481556 788097434 /nfs/dbraw/zinc/09/74/34/788097434.db2.gz HJBZXXVBRQDTIY-IUODEOHRSA-N 0 3 304.438 2.114 20 30 DEEDHN C[C@]1(C(=O)NCCNCc2ccc(F)c(C#N)c2)C=CCC1 ZINC001132502053 788101647 /nfs/dbraw/zinc/10/16/47/788101647.db2.gz GWNQRGFBFPEFKF-KRWDZBQOSA-N 0 3 301.365 2.259 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccccc2F)CC[C@@H]1C ZINC001132490669 788103307 /nfs/dbraw/zinc/10/33/07/788103307.db2.gz XBPOUNIRMVKGDE-LSDHHAIUSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCOc2cccnc2)CC[C@H]1C ZINC001132496578 788106047 /nfs/dbraw/zinc/10/60/47/788106047.db2.gz KLBQWPDOOAVIAZ-HZPDHXFCSA-N 0 3 317.433 2.396 20 30 DEEDHN C=C/C(C)=C/CC(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001132515862 788113182 /nfs/dbraw/zinc/11/31/82/788113182.db2.gz MSKAAHJJFUBTHJ-HTRKUNOGSA-N 0 3 321.465 2.028 20 30 DEEDHN CCC1(C(=O)NCCNCc2ccc(C#N)c(F)c2)CCC1 ZINC001132577449 788136322 /nfs/dbraw/zinc/13/63/22/788136322.db2.gz VVDIDJLAEOYHKQ-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001132667984 788160600 /nfs/dbraw/zinc/16/06/00/788160600.db2.gz YNAYWSMUTJEUTL-CVEARBPZSA-N 0 3 323.481 2.108 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2(C(F)F)CCC2)cc1 ZINC001132801926 788194191 /nfs/dbraw/zinc/19/41/91/788194191.db2.gz NBNXNNPEARLINC-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CN(C(=O)C#CC(C)C)CC[C@H]1C ZINC001132809152 788203700 /nfs/dbraw/zinc/20/37/00/788203700.db2.gz LMWNQCFZTDUOIR-ZBFHGGJFSA-N 0 3 317.433 2.217 20 30 DEEDHN Cc1cc(CNC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@H]2C)on1 ZINC001132808713 788204036 /nfs/dbraw/zinc/20/40/36/788204036.db2.gz DYQNKMAPTOSZOH-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3nc[nH]c31)C2 ZINC001097822049 788243911 /nfs/dbraw/zinc/24/39/11/788243911.db2.gz XYJIQSXZBCQDQG-XOUADPBQSA-N 0 3 314.433 2.127 20 30 DEEDHN COc1ccc(CNCCNC(=O)C2(C)CC=CC2)cc1C#N ZINC001133327948 788364415 /nfs/dbraw/zinc/36/44/15/788364415.db2.gz GSQAVPONKVRCHZ-UHFFFAOYSA-N 0 3 313.401 2.129 20 30 DEEDHN C=C1CCC(C(=O)NCCNCc2ccnc(N(C)C)c2)CC1 ZINC001133368544 788388347 /nfs/dbraw/zinc/38/83/47/788388347.db2.gz ACZMEMRDIXBOMM-UHFFFAOYSA-N 0 3 316.449 2.100 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@H](C)C(=O)NC1CCCCC1 ZINC001133383628 788395329 /nfs/dbraw/zinc/39/53/29/788395329.db2.gz VHUOLRVCWDPVTG-KDOFPFPSSA-N 0 3 323.481 2.132 20 30 DEEDHN COCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001133486483 788447561 /nfs/dbraw/zinc/44/75/61/788447561.db2.gz MCUVUMRRTKTIOW-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CCCCNCc1cnns1)NC(=O)C#CC(C)(C)C ZINC001170691529 788462384 /nfs/dbraw/zinc/46/23/84/788462384.db2.gz CSZSRJXTQCKPBG-CYBMUJFWSA-N 0 3 322.478 2.352 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001133910181 788667752 /nfs/dbraw/zinc/66/77/52/788667752.db2.gz WRVNNRRHMZDIFZ-URRBYVIQSA-N 0 3 309.237 2.381 20 30 DEEDHN CCOCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133901239 788671730 /nfs/dbraw/zinc/67/17/30/788671730.db2.gz SAZBUSRCFVWSAX-GJZGRUSLSA-N 0 3 317.433 2.358 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)c1cocn1 ZINC001133941646 788686930 /nfs/dbraw/zinc/68/69/30/788686930.db2.gz AZECABZHGWVYPZ-QWHCGFSZSA-N 0 3 312.373 2.233 20 30 DEEDHN C[C@H](C[C@H](C)NCc1nccs1)NC(=O)c1cc(C#N)c[nH]1 ZINC001134014845 788720515 /nfs/dbraw/zinc/72/05/15/788720515.db2.gz UUGAGHRVZPJMIC-WDEREUQCSA-N 0 3 317.418 2.030 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)cn1 ZINC001134119219 788771142 /nfs/dbraw/zinc/77/11/42/788771142.db2.gz NGCNQTKDIVXZKG-GJZGRUSLSA-N 0 3 316.449 2.352 20 30 DEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1CC ZINC001134200671 788808815 /nfs/dbraw/zinc/80/88/15/788808815.db2.gz HKKGXFDBOOKIII-CABCVRRESA-N 0 3 304.438 2.079 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCC(=O)N1[C@H](C)CCC[C@H]1C ZINC001134428489 788916516 /nfs/dbraw/zinc/91/65/16/788916516.db2.gz OURACBXXZFOORT-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001134726746 789048917 /nfs/dbraw/zinc/04/89/17/789048917.db2.gz SYIRKMZRGWYLIQ-UONOGXRCSA-N 0 3 320.437 2.415 20 30 DEEDHN COc1ccc(CNCCNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C#N ZINC001134737927 789056067 /nfs/dbraw/zinc/05/60/67/789056067.db2.gz BPQNVLNPUDPPPD-UKRRQHHQSA-N 0 3 315.417 2.209 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCc1ccc(F)c(F)c1 ZINC001135145254 789217200 /nfs/dbraw/zinc/21/72/00/789217200.db2.gz DYQLZQGKEBYTMX-BBRMVZONSA-N 0 3 324.371 2.152 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]c(C)nc3c1)C2 ZINC001098114937 789252608 /nfs/dbraw/zinc/25/26/08/789252608.db2.gz NXLRBTRERPODJR-OLMNPRSZSA-N 0 3 322.412 2.230 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1CC ZINC001135234982 789253300 /nfs/dbraw/zinc/25/33/00/789253300.db2.gz FNVCAWCDJCCURF-CVEARBPZSA-N 0 3 318.465 2.470 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nccn1CC ZINC001135229547 789258488 /nfs/dbraw/zinc/25/84/88/789258488.db2.gz BETZDNOJPAEZJP-ZIAGYGMSSA-N 0 3 306.454 2.488 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001135357481 789298953 /nfs/dbraw/zinc/29/89/53/789298953.db2.gz DAKRHTDDFHZCBE-ZIAGYGMSSA-N 0 3 306.454 2.458 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2cc(OC)no2)C1 ZINC001135427370 789336405 /nfs/dbraw/zinc/33/64/05/789336405.db2.gz QGMXYYQYVQIYJX-CHWSQXEVSA-N 0 3 321.421 2.412 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@](C)(C=C)CC)C[C@H]1c1cn(C)cn1 ZINC001070530515 789366474 /nfs/dbraw/zinc/36/64/74/789366474.db2.gz YRSWAUKDBMDMDY-YXJHDRRASA-N 0 3 316.449 2.092 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001070768189 789451672 /nfs/dbraw/zinc/45/16/72/789451672.db2.gz AXKNBTWRPMCYML-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001071050829 789506012 /nfs/dbraw/zinc/50/60/12/789506012.db2.gz PKOPBEHNZWDWRS-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1[nH]ccc1C)C[C@H](C)O2 ZINC001071164118 789568854 /nfs/dbraw/zinc/56/88/54/789568854.db2.gz HMGSSBDVMQEVSM-MAUKXSAKSA-N 0 3 317.433 2.205 20 30 DEEDHN CC[C@@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001136086907 789621160 /nfs/dbraw/zinc/62/11/60/789621160.db2.gz FROWNHFJVBGOML-QAPCUYQASA-N 0 3 315.417 2.209 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@@H]1C ZINC001071517947 789754476 /nfs/dbraw/zinc/75/44/76/789754476.db2.gz LTABYGGHVVGGFR-KBPBESRZSA-N 0 3 316.449 2.313 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC[C@@H]1C ZINC001071560233 789780297 /nfs/dbraw/zinc/78/02/97/789780297.db2.gz AISFZJAMOWJSJK-SWLSCSKDSA-N 0 3 315.417 2.433 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cnccc2C)CC[C@@H]1C ZINC001071579507 789792039 /nfs/dbraw/zinc/79/20/39/789792039.db2.gz FRANSWYEIBCIFT-DOTOQJQBSA-N 0 3 301.434 2.478 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(F)cn2)CC[C@@H]1C ZINC001071613083 789815593 /nfs/dbraw/zinc/81/55/93/789815593.db2.gz RHXVZEKJTOEUEH-BBRMVZONSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@H]1C ZINC001071678908 789859743 /nfs/dbraw/zinc/85/97/43/789859743.db2.gz HSXMEYKXENSBLS-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cn3ccnc23)CC[C@H]1C ZINC001071695541 789871188 /nfs/dbraw/zinc/87/11/88/789871188.db2.gz RBHGXTXIVZWWQZ-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2occ3c2CCC3)CC[C@@H]1C ZINC001071712591 789880843 /nfs/dbraw/zinc/88/08/43/789880843.db2.gz QUQJACLQWHVJPF-DZGCQCFKSA-N 0 3 300.402 2.374 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2c(C)nn(C)c2C)CC[C@@H]1C ZINC001071715970 789882734 /nfs/dbraw/zinc/88/27/34/789882734.db2.gz NBUPSWUILRSPMQ-XJKSGUPXSA-N 0 3 318.465 2.125 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccnc(OC)c2)CC[C@H]1C ZINC001071827790 789933737 /nfs/dbraw/zinc/93/37/37/789933737.db2.gz DHNUUXOZZGEWFS-ZBFHGGJFSA-N 0 3 317.433 2.178 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(CC3CC3)c2)CC[C@@H]1C ZINC001071966085 789992329 /nfs/dbraw/zinc/99/23/29/789992329.db2.gz BIKJRCBAFYJPSW-YOEHRIQHSA-N 0 3 316.449 2.452 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)CC[C@@H]1C ZINC001071973627 789994873 /nfs/dbraw/zinc/99/48/73/789994873.db2.gz HRKZACPGHDBUKP-DZGCQCFKSA-N 0 3 316.449 2.448 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)CC[C@@H]1C ZINC001071973627 789994876 /nfs/dbraw/zinc/99/48/76/789994876.db2.gz HRKZACPGHDBUKP-DZGCQCFKSA-N 0 3 316.449 2.448 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c(c2)COC3)CC[C@@H]1C ZINC001072023083 790016356 /nfs/dbraw/zinc/01/63/56/790016356.db2.gz LKOXCKPRSWRPFC-KBXCAEBGSA-N 0 3 314.429 2.414 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@H]1C ZINC001072028580 790019596 /nfs/dbraw/zinc/01/95/96/790019596.db2.gz APEMBKYMFFESAO-WBVHZDCISA-N 0 3 313.445 2.359 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(N(C)C)ccn2)CC[C@@H]1C ZINC001072110122 790057322 /nfs/dbraw/zinc/05/73/22/790057322.db2.gz SKGWYFXBONWOOO-LSDHHAIUSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001072355101 790122774 /nfs/dbraw/zinc/12/27/74/790122774.db2.gz RAHIYDJGQQGZTC-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001072354010 790123174 /nfs/dbraw/zinc/12/31/74/790123174.db2.gz CVSIQDZLZFGKBN-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001072355104 790123202 /nfs/dbraw/zinc/12/32/02/790123202.db2.gz RAHIYDJGQQGZTC-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001072431151 790142761 /nfs/dbraw/zinc/14/27/61/790142761.db2.gz GVYFIRSCNAPOSO-PBHICJAKSA-N 0 3 309.413 2.249 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCCNCc1cccc(F)c1 ZINC001149117608 791225765 /nfs/dbraw/zinc/22/57/65/791225765.db2.gz MLDXQJVHWBNZLZ-UHFFFAOYSA-N 0 3 310.372 2.256 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3oc(C)cc3C)C[C@]2(C)C1 ZINC001091578347 791325720 /nfs/dbraw/zinc/32/57/20/791325720.db2.gz DTASMLHGSXROPX-QAPCUYQASA-N 0 3 300.402 2.314 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCc3ccoc3)C[C@]2(C)C1 ZINC001091585161 791338595 /nfs/dbraw/zinc/33/85/95/791338595.db2.gz DFISCMFJWYYZQK-AEFFLSMTSA-N 0 3 300.402 2.016 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccsc2)[C@@H](O)C1 ZINC001099885259 791350593 /nfs/dbraw/zinc/35/05/93/791350593.db2.gz KOCLUMUMFWQPIR-HOTGVXAUSA-N 0 3 322.474 2.198 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001075018287 791432390 /nfs/dbraw/zinc/43/23/90/791432390.db2.gz ZCOYVISSYSDSOK-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001075136563 791476408 /nfs/dbraw/zinc/47/64/08/791476408.db2.gz DSDGBZOTVFXKEZ-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCC(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001147256183 791486658 /nfs/dbraw/zinc/48/66/58/791486658.db2.gz NTTWRPVZFRUXBM-UHFFFAOYSA-N 0 3 320.458 2.293 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCNCc1ccsc1 ZINC001147290211 791503087 /nfs/dbraw/zinc/50/30/87/791503087.db2.gz AXKZCAKLEGCTPA-UHFFFAOYSA-N 0 3 317.414 2.228 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2nccn2C)[C@@H](C)C1 ZINC001075312663 791577632 /nfs/dbraw/zinc/57/76/32/791577632.db2.gz MKETVYVORMERRG-LSDHHAIUSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ncccc13)C2 ZINC001098428133 791629840 /nfs/dbraw/zinc/62/98/40/791629840.db2.gz CBRRNSDLHCZFDM-WQVCFCJDSA-N 0 3 310.401 2.474 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cscn1)C[C@@H](C)O2 ZINC001098570621 791654560 /nfs/dbraw/zinc/65/45/60/791654560.db2.gz JUWLJMKIJZBYSN-CYBMUJFWSA-N 0 3 321.446 2.025 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)C(F)(F)F)C2)C1 ZINC001148206042 791707238 /nfs/dbraw/zinc/70/72/38/791707238.db2.gz VGDLESFHPOLTDD-LBPRGKRZSA-N 0 3 302.340 2.133 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001148463252 791750927 /nfs/dbraw/zinc/75/09/27/791750927.db2.gz CHUCBZVKSONPKN-DOTOQJQBSA-N 0 3 300.402 2.418 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCCCCCC ZINC001148727987 791794404 /nfs/dbraw/zinc/79/44/04/791794404.db2.gz QZSFVFCLHWIJPT-OAHLLOKOSA-N 0 3 311.470 2.134 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148899796 791814883 /nfs/dbraw/zinc/81/48/83/791814883.db2.gz FCSKKFCWHOUBBF-AWEZNQCLSA-N 0 3 320.458 2.374 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](CC)SC)C2)CC1 ZINC001086916744 791849650 /nfs/dbraw/zinc/84/96/50/791849650.db2.gz RGJPKULWRFYCRX-GJZGRUSLSA-N 0 3 308.491 2.464 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)Cc3ccoc3)C2)CC1 ZINC001086918539 791851052 /nfs/dbraw/zinc/85/10/52/791851052.db2.gz PSDDXTZKQOYIBL-OAHLLOKOSA-N 0 3 300.402 2.158 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC001086944611 791857594 /nfs/dbraw/zinc/85/75/94/791857594.db2.gz CTHYQDDRCLXEBR-BRWVUGGUSA-N 0 3 318.461 2.280 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3onc(C)c3C)C2)CC1 ZINC001086928770 791859583 /nfs/dbraw/zinc/85/95/83/791859583.db2.gz OCSOJHVUNPAVPE-ZDUSSCGKSA-N 0 3 315.417 2.241 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(F)c[nH]3)C2)CC1 ZINC001086933878 791860279 /nfs/dbraw/zinc/86/02/79/791860279.db2.gz ZUEMBARWTSDNPI-CQSZACIVSA-N 0 3 317.408 2.494 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](OC)C3CCC3)C2)CC1 ZINC001086934738 791860756 /nfs/dbraw/zinc/86/07/56/791860756.db2.gz ZDAQJGYPDOJBGN-RDJZCZTQSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3nc(C)oc3C)C2)CC1 ZINC001086950911 791862462 /nfs/dbraw/zinc/86/24/62/791862462.db2.gz NUPYBWAYSYUQPM-CYBMUJFWSA-N 0 3 315.417 2.241 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(F)ccc3CC)C[C@]2(C)C1 ZINC001091818937 791891162 /nfs/dbraw/zinc/89/11/62/791891162.db2.gz MARCFJQKQHFBEP-BEFAXECRSA-N 0 3 314.404 2.415 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCc3cccs3)C[C@]2(C)C1 ZINC001092263841 791954943 /nfs/dbraw/zinc/95/49/43/791954943.db2.gz ZVWLMKUSDNATRW-PBHICJAKSA-N 0 3 302.443 2.094 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCc3cccs3)C[C@]2(C)C1 ZINC001092263118 791955540 /nfs/dbraw/zinc/95/55/40/791955540.db2.gz FTYNSAWOZOMPDY-QAPCUYQASA-N 0 3 316.470 2.484 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@]2(C)C1 ZINC001092252298 791965978 /nfs/dbraw/zinc/96/59/78/791965978.db2.gz QXLAJSAIDPZGEY-BEFAXECRSA-N 0 3 308.381 2.460 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccco2)C1 ZINC001099024245 792043772 /nfs/dbraw/zinc/04/37/72/792043772.db2.gz GUIZAEKCGYNNNE-MPGHIAIKSA-N 0 3 300.402 2.377 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C3CC3)no2)C1 ZINC001099058497 792067520 /nfs/dbraw/zinc/06/75/20/792067520.db2.gz CPJXPVHAFHECNN-KSSFIOAISA-N 0 3 313.401 2.160 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(OC)n2)C1 ZINC001099101242 792095266 /nfs/dbraw/zinc/09/52/66/792095266.db2.gz PCSPUACXJYHZGP-KSSFIOAISA-N 0 3 315.417 2.251 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc(F)c2OCC)[C@H](C)C1 ZINC001093086713 792221029 /nfs/dbraw/zinc/22/10/29/792221029.db2.gz KBPQCFNHSROQGX-ZIAGYGMSSA-N 0 3 318.392 2.155 20 30 DEEDHN CC(C)=CCN1C[C@@H](NC(=O)[C@H](C)C#N)CC2(CCOCC2)C1 ZINC001099574347 792248667 /nfs/dbraw/zinc/24/86/67/792248667.db2.gz DHPALUOEQPTFFL-CVEARBPZSA-N 0 3 319.449 2.100 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3nc(C)ccc3o2)[C@H](C)C1 ZINC001093149185 792253969 /nfs/dbraw/zinc/25/39/69/792253969.db2.gz RKEQVLJFAXXZID-TZMCWYRMSA-N 0 3 311.385 2.067 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C2(CF)CC2)CC2(CCOCC2)C1 ZINC001099591234 792256034 /nfs/dbraw/zinc/25/60/34/792256034.db2.gz VVXZWYPRHCWLSY-OAHLLOKOSA-N 0 3 324.440 2.300 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)CCCC(C)=O)[C@H](O)C1 ZINC001099672733 792302138 /nfs/dbraw/zinc/30/21/38/792302138.db2.gz SCPQYOONMKNYLN-DLBZAZTESA-N 0 3 324.465 2.044 20 30 DEEDHN CCC(CC)CN1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001093516644 792418376 /nfs/dbraw/zinc/41/83/76/792418376.db2.gz CJKQNVJABZBJQS-CQSZACIVSA-N 0 3 321.465 2.274 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001100020582 792447883 /nfs/dbraw/zinc/44/78/83/792447883.db2.gz PSBHJLOAXAUBNK-IAGOWNOFSA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)[C@H](O)C1 ZINC001100133496 792483369 /nfs/dbraw/zinc/48/33/69/792483369.db2.gz AUCCZERLFYSKPH-QZTJIDSGSA-N 0 3 322.493 2.270 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2cc(CO)ccc2F)C1 ZINC001100176773 792502187 /nfs/dbraw/zinc/50/21/87/792502187.db2.gz DTDUYHYNZBFRJA-UHFFFAOYSA-N 0 3 320.408 2.269 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCNc1cccc(F)c1C#N ZINC001093668804 792523629 /nfs/dbraw/zinc/52/36/29/792523629.db2.gz SZWYXJYJOQTIMF-BETUJISGSA-N 0 3 318.396 2.098 20 30 DEEDHN Cc1[nH]ccc1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100223183 792526846 /nfs/dbraw/zinc/52/68/46/792526846.db2.gz UFQMNCBEOUFXLX-UHFFFAOYSA-N 0 3 321.424 2.473 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2c(C)noc2C)C1 ZINC001100259367 792548420 /nfs/dbraw/zinc/54/84/20/792548420.db2.gz IRFDJAYPXHGCII-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCC(=C)Br)C1 ZINC001100282796 792560988 /nfs/dbraw/zinc/56/09/88/792560988.db2.gz WZCBTTHUEIEDEB-UHFFFAOYSA-N 0 3 313.239 2.183 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCc2ccc(F)cn2)C1 ZINC001100283916 792563667 /nfs/dbraw/zinc/56/36/67/792563667.db2.gz ZGXOXBUOCQNVKC-UHFFFAOYSA-N 0 3 303.381 2.009 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2ccc(F)cn2)C1 ZINC001100564789 792723675 /nfs/dbraw/zinc/72/36/75/792723675.db2.gz XKFYONOBJMPEDZ-UHFFFAOYSA-N 0 3 305.397 2.417 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100713127 792806801 /nfs/dbraw/zinc/80/68/01/792806801.db2.gz QFMSZOZOMRNKJS-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(COC)o3)CCC[C@@H]12 ZINC001094465434 792921158 /nfs/dbraw/zinc/92/11/58/792921158.db2.gz KBSKOMVNKYLMRS-SJLPKXTDSA-N 0 3 316.401 2.034 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001171446029 792926944 /nfs/dbraw/zinc/92/69/44/792926944.db2.gz WDNSYNBFIUBAEU-KBPBESRZSA-N 0 3 320.437 2.415 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3occc3CC)CCC[C@@H]12 ZINC001094503455 792950080 /nfs/dbraw/zinc/95/00/80/792950080.db2.gz GQUFZSBUQCYMIP-CRAIPNDOSA-N 0 3 300.402 2.450 20 30 DEEDHN C=CCCC(=O)N1C[C@H]2CN(CCOCC(F)F)C[C@@]2(C)C1 ZINC001101167539 793050854 /nfs/dbraw/zinc/05/08/54/793050854.db2.gz IWUGHLSRWLRPDA-CJNGLKHVSA-N 0 3 316.392 2.015 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001101229195 793076434 /nfs/dbraw/zinc/07/64/34/793076434.db2.gz OEWRJMLRCIKVLQ-APWZRJJASA-N 0 3 311.429 2.021 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1nn(C)c2ccccc21 ZINC001171646120 793158170 /nfs/dbraw/zinc/15/81/70/793158170.db2.gz AQDUUJMXFBKMML-UHFFFAOYSA-N 0 3 306.797 2.035 20 30 DEEDHN CCC(=O)NC[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001101659585 793297699 /nfs/dbraw/zinc/29/76/99/793297699.db2.gz UAZSRIVJFLGQFX-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC001101817287 793391834 /nfs/dbraw/zinc/39/18/34/793391834.db2.gz KPJNCWRRKJOVMU-SJLPKXTDSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(Cc2cc(C)no2)C[C@H]1C ZINC001101892095 793429175 /nfs/dbraw/zinc/42/91/75/793429175.db2.gz KHPAKTDOUKGWKA-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN Cc1nc(C)c(CN2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)o1 ZINC001101947788 793455110 /nfs/dbraw/zinc/45/51/10/793455110.db2.gz IDUFNKJXKNZWKS-CZUORRHYSA-N 0 3 317.433 2.135 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102328604 793574318 /nfs/dbraw/zinc/57/43/18/793574318.db2.gz QGJMNRLSAMXZHB-RKVPGOIHSA-N 0 3 318.465 2.207 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N[O-] ZINC001173229164 793644832 /nfs/dbraw/zinc/64/48/32/793644832.db2.gz QYPVHWZFAWZJJV-MJVIPROJSA-N 0 3 309.366 2.036 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(F)cc(F)c2)s1 ZINC001150163778 793676138 /nfs/dbraw/zinc/67/61/38/793676138.db2.gz JKTLMGGQDRBPTD-UHFFFAOYSA-N 0 3 321.352 2.418 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 ZINC001173428988 793729596 /nfs/dbraw/zinc/72/95/96/793729596.db2.gz PBYQRCPWLWTACA-UHFFFAOYSA-N 0 3 322.412 2.398 20 30 DEEDHN CC1(C#N)CCC(N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)CC1 ZINC001173597576 793777021 /nfs/dbraw/zinc/77/70/21/793777021.db2.gz YPXLHRYFHXWTQK-VUROTCPHSA-N 0 3 309.429 2.203 20 30 DEEDHN C=CCn1cccc1C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103088842 793935723 /nfs/dbraw/zinc/93/57/23/793935723.db2.gz YGZWKHMJLSVPJN-HUUCEWRRSA-N 0 3 307.413 2.331 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cnn2C)C1 ZINC001103337342 794049907 /nfs/dbraw/zinc/04/99/07/794049907.db2.gz RDAIDLFCFFPHFB-TZMCWYRMSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001174872802 794091691 /nfs/dbraw/zinc/09/16/91/794091691.db2.gz JTNGKOMUCWZCDS-ZDUSSCGKSA-N 0 3 320.437 2.335 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(OC)ccc1OC ZINC001175733200 794274248 /nfs/dbraw/zinc/27/42/48/794274248.db2.gz VFJRUEDZHROYPI-UHFFFAOYSA-N 0 3 312.797 2.166 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C ZINC001104023635 794348257 /nfs/dbraw/zinc/34/82/57/794348257.db2.gz BHRUAWMBNREQCD-BPLDGKMQSA-N 0 3 314.857 2.240 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001104094798 794376777 /nfs/dbraw/zinc/37/67/77/794376777.db2.gz OIRFTTJVHWGZIZ-DGCLKSJQSA-N 0 3 320.824 2.327 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)Cc1ccccc1)C2 ZINC001110194198 794393621 /nfs/dbraw/zinc/39/36/21/794393621.db2.gz VXVRJBZHSQCZBR-SQNIBIBYSA-N 0 3 313.445 2.026 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccc(F)cc2)C1 ZINC001111801317 794484898 /nfs/dbraw/zinc/48/48/98/794484898.db2.gz UNSKAORKIYBVEQ-LPHOPBHVSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@@H](C)CCCCNCc1cc(C)no1 ZINC001176801842 794514142 /nfs/dbraw/zinc/51/41/42/794514142.db2.gz SETSZLTWNUHAHX-DZGCQCFKSA-N 0 3 323.437 2.339 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001111942977 794531776 /nfs/dbraw/zinc/53/17/76/794531776.db2.gz DMGOKQDKYSIKKO-MPGHIAIKSA-N 0 3 315.417 2.006 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COCc2ccccc2)C1 ZINC001111977777 794538755 /nfs/dbraw/zinc/53/87/55/794538755.db2.gz HSMCSNACECCXCK-HKUYNNGSSA-N 0 3 314.429 2.360 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@H]1C(F)(F)F ZINC001112071969 794554519 /nfs/dbraw/zinc/55/45/19/794554519.db2.gz DFUYZUPEZFLDSJ-YNEHKIRRSA-N 0 3 304.356 2.425 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H](CC)SC)C[C@H]1C(F)(F)F ZINC001112083046 794557127 /nfs/dbraw/zinc/55/71/27/794557127.db2.gz ZYIQHWNFMZYOGK-IJLUTSLNSA-N 0 3 322.396 2.130 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001115321869 794735580 /nfs/dbraw/zinc/73/55/80/794735580.db2.gz DYVLPUNPVXAWGO-WKCGWZECSA-N 0 3 314.429 2.421 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(C)(C)CC)[C@@H]1C ZINC001178315110 794898811 /nfs/dbraw/zinc/89/88/11/794898811.db2.gz CIMFZHVDKQUIQE-KKUMJFAQSA-N 0 3 323.481 2.225 20 30 DEEDHN CCn1ccc(CNCCCCCCNC(=O)C#CC(C)C)n1 ZINC001178419167 794923410 /nfs/dbraw/zinc/92/34/10/794923410.db2.gz RPRGYGMEAVBFHN-UHFFFAOYSA-N 0 3 318.465 2.329 20 30 DEEDHN C=C(C)CCC(=O)NCCCCCCNCc1cn(CC)nn1 ZINC001178598865 794956965 /nfs/dbraw/zinc/95/69/65/794956965.db2.gz MXRAYJRYBGRKJS-UHFFFAOYSA-N 0 3 321.469 2.421 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C(C)C)[C@@H]1C ZINC001178805631 795000641 /nfs/dbraw/zinc/00/06/41/795000641.db2.gz IRUGVZZWGUXFNE-JYJNAYRXSA-N 0 3 323.481 2.177 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001179364136 795106429 /nfs/dbraw/zinc/10/64/29/795106429.db2.gz FELNEBBVXLNNKW-DZKIICNBSA-N 0 3 304.438 2.101 20 30 DEEDHN C#CCCCS(=O)(=O)Nc1cccc(CN2CCCC2)c1 ZINC001117948014 795130239 /nfs/dbraw/zinc/13/02/39/795130239.db2.gz JALHJJOHRZMXFI-UHFFFAOYSA-N 0 3 306.431 2.438 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C ZINC001179994447 795216443 /nfs/dbraw/zinc/21/64/43/795216443.db2.gz ORNJERMQKYKATF-GJZGRUSLSA-N 0 3 311.470 2.062 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001180268458 795267511 /nfs/dbraw/zinc/26/75/11/795267511.db2.gz BRUVMQLXLRRWHS-SRVKXCTJSA-N 0 3 321.248 2.476 20 30 DEEDHN C=CC[C@H](CC)NCc1c(I)cnn1C ZINC001119669659 795336195 /nfs/dbraw/zinc/33/61/95/795336195.db2.gz SXGWAOXJCFLAMA-VIFPVBQESA-N 0 3 319.190 2.469 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001180888043 795382036 /nfs/dbraw/zinc/38/20/36/795382036.db2.gz IDZYXYRADVMPFP-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCCCN1C ZINC001120726586 795519624 /nfs/dbraw/zinc/51/96/24/795519624.db2.gz JFWRERMWZFGICL-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCCCC(=O)NC1CC2(CC(NCc3ocnc3C)C2)C1 ZINC001121026938 795579038 /nfs/dbraw/zinc/57/90/38/795579038.db2.gz VDDFZYSCIKHDQQ-UHFFFAOYSA-N 0 3 315.417 2.304 20 30 DEEDHN CC(C)C#CC(=O)NC1CC2(CC(NCc3nccs3)C2)C1 ZINC001121077424 795586953 /nfs/dbraw/zinc/58/69/53/795586953.db2.gz PLISJIRCZQNTGP-UHFFFAOYSA-N 0 3 317.458 2.320 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC001182372708 795661362 /nfs/dbraw/zinc/66/13/62/795661362.db2.gz PJXVXWBVJAVJFL-CQSZACIVSA-N 0 3 306.356 2.315 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc2cc(C)ccc2n1C ZINC001121966103 795710190 /nfs/dbraw/zinc/71/01/90/795710190.db2.gz UUXKQBFPKGRCOX-CYBMUJFWSA-N 0 3 300.406 2.182 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC001121969932 795711230 /nfs/dbraw/zinc/71/12/30/795711230.db2.gz ZZEYZNVGSJISDZ-CABCVRRESA-N 0 3 311.470 2.178 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC001122029448 795718800 /nfs/dbraw/zinc/71/88/00/795718800.db2.gz WYGGLFXSVBHJMZ-HUUCEWRRSA-N 0 3 319.453 2.249 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001182919092 795773182 /nfs/dbraw/zinc/77/31/82/795773182.db2.gz ZFURINPTYUZANL-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C(CN1CCCC1)C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001183045066 795794900 /nfs/dbraw/zinc/79/49/00/795794900.db2.gz RVHIGETVTVRLKC-UHFFFAOYSA-N 0 3 318.339 2.008 20 30 DEEDHN COc1ccc(CNCCNC(=O)C2CCCCC2)cc1C#N ZINC001122821512 795808995 /nfs/dbraw/zinc/80/89/95/795808995.db2.gz FAQXBKJBBUZZSL-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CC1CCCC1 ZINC001122878648 795813826 /nfs/dbraw/zinc/81/38/26/795813826.db2.gz CGYGGPPXPQPEMJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CCC1(CC(=O)C(C#N)C(=O)NCc2cccc(C)c2)COC1 ZINC001122897933 795816864 /nfs/dbraw/zinc/81/68/64/795816864.db2.gz OWJWQPPLQGFVOV-HNNXBMFYSA-N 0 3 314.385 2.137 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2ccsc2)s1 ZINC001122953098 795826110 /nfs/dbraw/zinc/82/61/10/795826110.db2.gz JNDQKSYNCUYSLL-UHFFFAOYSA-N 0 3 305.428 2.130 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Br)nc1 ZINC000691639948 795864122 /nfs/dbraw/zinc/86/41/22/795864122.db2.gz MLROHJOLZYETJJ-JTQLQIEISA-N 0 3 311.183 2.194 20 30 DEEDHN C#CCC[C@H](O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001183606983 795892015 /nfs/dbraw/zinc/89/20/15/795892015.db2.gz QFGFEVFNRAWPEZ-ZDUSSCGKSA-N 0 3 312.207 2.327 20 30 DEEDHN CC(C)SCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001123774658 795975557 /nfs/dbraw/zinc/97/55/57/795975557.db2.gz NLENLWNKLADOJZ-UHFFFAOYSA-N 0 3 309.410 2.045 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2cnc(C)o2)[C@H](C)C1 ZINC001184312658 796031489 /nfs/dbraw/zinc/03/14/89/796031489.db2.gz SOGJPXXUJRJMLG-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001184424023 796062183 /nfs/dbraw/zinc/06/21/83/796062183.db2.gz HNAWMHAFWQAMSR-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001184646441 796098735 /nfs/dbraw/zinc/09/87/35/796098735.db2.gz YZWNGVMKUKHPGM-DBVFPWQWSA-N 0 3 300.830 2.158 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001184814811 796132323 /nfs/dbraw/zinc/13/23/23/796132323.db2.gz DHOJBZOCPRSIFY-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CCCc1ccc(C(=O)N2CC[C@@H](NCC#CCOC)C2)cc1 ZINC001185238810 796220384 /nfs/dbraw/zinc/22/03/84/796220384.db2.gz SUMJQEAHERHDBA-GOSISDBHSA-N 0 3 314.429 2.093 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1[O-] ZINC001138630741 796247049 /nfs/dbraw/zinc/24/70/49/796247049.db2.gz CJGGVTCPTCBQNB-UHFFFAOYSA-N 0 3 317.433 2.356 20 30 DEEDHN O=C1C=C2CN(Cc3ccnn3[C@H]3CCCCO3)CCC2S1 ZINC001138774571 796273771 /nfs/dbraw/zinc/27/37/71/796273771.db2.gz AGMCSCRTRFSSNR-LSDHHAIUSA-N 0 3 319.430 2.356 20 30 DEEDHN Cc1ncoc1CN[C@@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202878076 796303183 /nfs/dbraw/zinc/30/31/83/796303183.db2.gz QWWFFJDRGAKALH-CVEARBPZSA-N 0 3 315.417 2.159 20 30 DEEDHN CO[C@@H]1CN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1OC ZINC001139400481 796371054 /nfs/dbraw/zinc/37/10/54/796371054.db2.gz TVRQVNMXEVSBQS-KDURUIRLSA-N 0 3 323.396 2.466 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001186212886 796380014 /nfs/dbraw/zinc/38/00/14/796380014.db2.gz AMTQQGQYVQATGE-MCCZJCTISA-N 0 3 312.841 2.301 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(F)cc(C#N)cc1F ZINC001139869561 796439345 /nfs/dbraw/zinc/43/93/45/796439345.db2.gz LKWBWHNWQULZKO-UHFFFAOYSA-N 0 3 307.344 2.416 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)[C@@H]2C1 ZINC001186803809 796439800 /nfs/dbraw/zinc/43/98/00/796439800.db2.gz OTXFKRIAQVNXJT-YESZJQIVSA-N 0 3 304.434 2.078 20 30 DEEDHN COCCCCN1CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139878986 796440192 /nfs/dbraw/zinc/44/01/92/796440192.db2.gz DIDWQSKOJUPUJJ-UHFFFAOYSA-N 0 3 305.397 2.242 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1ccncn1)[C@H]2CC ZINC001140343265 796510531 /nfs/dbraw/zinc/51/05/31/796510531.db2.gz BVTBKYVKXKUKLC-WMZOPIPTSA-N 0 3 314.433 2.398 20 30 DEEDHN CCCCCCCCCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001187366640 796525026 /nfs/dbraw/zinc/52/50/26/796525026.db2.gz ANEJYSSRXHUCMM-OAHLLOKOSA-N 0 3 311.470 2.064 20 30 DEEDHN CCCCCCCCCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001187367915 796525749 /nfs/dbraw/zinc/52/57/49/796525749.db2.gz WKJBJWPUQFUIDH-HZPDHXFCSA-N 0 3 323.481 2.206 20 30 DEEDHN COC(=O)c1ccc(CN2CCC3SC(=O)C=C3C2)s1 ZINC001140517932 796533426 /nfs/dbraw/zinc/53/34/26/796533426.db2.gz DNTMZSHZWRWLHQ-NSHDSACASA-N 0 3 309.412 2.309 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)OCO2 ZINC001187890004 796601333 /nfs/dbraw/zinc/60/13/33/796601333.db2.gz RSHZTDKOSJHPRT-ZDUSSCGKSA-N 0 3 303.362 2.187 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001188015627 796616985 /nfs/dbraw/zinc/61/69/85/796616985.db2.gz JJFOVNFPXSSWDE-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001188317881 796656910 /nfs/dbraw/zinc/65/69/10/796656910.db2.gz VOMPJHQJYXRGOS-WMLDXEAASA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001189363615 796820006 /nfs/dbraw/zinc/82/00/06/796820006.db2.gz OBGHFIHWMSFDHO-INIZCTEOSA-N 0 3 320.408 2.369 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001189918481 796903097 /nfs/dbraw/zinc/90/30/97/796903097.db2.gz RFOOLKKGRSKJQR-AEFFLSMTSA-N 0 3 320.408 2.186 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001190013380 796915899 /nfs/dbraw/zinc/91/58/99/796915899.db2.gz DFWDOGBAWHITMV-AWEZNQCLSA-N 0 3 308.447 2.405 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001189983622 796918382 /nfs/dbraw/zinc/91/83/82/796918382.db2.gz LNVDKCJPLCNLDA-AWEZNQCLSA-N 0 3 308.447 2.405 20 30 DEEDHN CN(CCOC1CCC1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190085383 796935853 /nfs/dbraw/zinc/93/58/53/796935853.db2.gz XXZIRWOZSRZYIT-OAHLLOKOSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CCCCC(C)C)C1 ZINC001150461831 796943986 /nfs/dbraw/zinc/94/39/86/796943986.db2.gz JUUAUBWQPXTMTH-QGZVFWFLSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001150570942 796954998 /nfs/dbraw/zinc/95/49/98/796954998.db2.gz FKHHZQZZBSPCER-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H](C)n2cccc2)C1 ZINC001150612454 796960345 /nfs/dbraw/zinc/96/03/45/796960345.db2.gz AIHGWDBNJQZUMJ-DLBZAZTESA-N 0 3 319.449 2.222 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC001150654805 796965227 /nfs/dbraw/zinc/96/52/27/796965227.db2.gz ZSDOGECXVZVCHU-QGZVFWFLSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccc(C)s2)C1 ZINC001150776888 796977388 /nfs/dbraw/zinc/97/73/88/796977388.db2.gz BASDIHUSCZUAKV-OAHLLOKOSA-N 0 3 322.474 2.382 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2cccnc2)CC1 ZINC001150896160 796989399 /nfs/dbraw/zinc/98/93/99/796989399.db2.gz UJTMFHIHRAFIBJ-UHFFFAOYSA-N 0 3 317.433 2.259 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc3occc3[nH]2)C1 ZINC001190421897 797004014 /nfs/dbraw/zinc/00/40/14/797004014.db2.gz CJKLXXGLLYVFDB-ZDUSSCGKSA-N 0 3 317.389 2.110 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151415518 797041266 /nfs/dbraw/zinc/04/12/66/797041266.db2.gz WUKDFCBVJXQHJM-INIZCTEOSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001190676944 797055755 /nfs/dbraw/zinc/05/57/55/797055755.db2.gz VSHWMPWYHQZGLZ-MGPQQGTHSA-N 0 3 308.447 2.186 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccsc2)C1 ZINC001190750659 797069055 /nfs/dbraw/zinc/06/90/55/797069055.db2.gz MRYJRSDRHRJJCK-HZPDHXFCSA-N 0 3 324.490 2.422 20 30 DEEDHN CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)c1ccon1 ZINC001152109218 797145071 /nfs/dbraw/zinc/14/50/71/797145071.db2.gz AUVOBWZHAXQXJC-CYBMUJFWSA-N 0 3 312.373 2.187 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC001191226488 797165026 /nfs/dbraw/zinc/16/50/26/797165026.db2.gz JUAJAEUQCBKFPU-INIZCTEOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N(CC)CCn1cc(Cl)cn1 ZINC001152313790 797170488 /nfs/dbraw/zinc/17/04/88/797170488.db2.gz SPDJWDHLBIMYMN-CYBMUJFWSA-N 0 3 312.845 2.329 20 30 DEEDHN CCN(Cc1ccc(F)cc1)[C@H](C)CNC(=O)CSCC#N ZINC001151954384 797213251 /nfs/dbraw/zinc/21/32/51/797213251.db2.gz UDDBJFLQQBYBGN-CYBMUJFWSA-N 0 3 323.437 2.409 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C(C)C)on2)C1 ZINC001191595013 797233666 /nfs/dbraw/zinc/23/36/66/797233666.db2.gz MNBWSCKCBRPAKS-AWEZNQCLSA-N 0 3 321.421 2.147 20 30 DEEDHN CC(C)(C#N)CCCCN(CCC(F)(F)F)C[C@H](O)CO ZINC001192021615 797306728 /nfs/dbraw/zinc/30/67/28/797306728.db2.gz BKYOOXQCWZJTBW-LBPRGKRZSA-N 0 3 310.360 2.314 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H](C)N(CC)CC#C)cc1 ZINC001153294332 797316035 /nfs/dbraw/zinc/31/60/35/797316035.db2.gz GPWCQNQGSONGAD-MRXNPFEDSA-N 0 3 312.413 2.162 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001153413469 797336058 /nfs/dbraw/zinc/33/60/58/797336058.db2.gz BBBZNLDGBXXIQV-CQSZACIVSA-N 0 3 301.434 2.453 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccncc2C)C1 ZINC001192693412 797432861 /nfs/dbraw/zinc/43/28/61/797432861.db2.gz VJGZSVKPCVVHTL-IAGOWNOFSA-N 0 3 319.449 2.135 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCCCF)[nH]1 ZINC001110449989 797443904 /nfs/dbraw/zinc/44/39/04/797443904.db2.gz MBOPETQAAWNZGI-BMFZPTHFSA-N 0 3 318.396 2.361 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccn(-c2ccccc2)n1 ZINC001154154882 797474724 /nfs/dbraw/zinc/47/47/24/797474724.db2.gz BOMCFYCCINXSNM-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001154327176 797512932 /nfs/dbraw/zinc/51/29/32/797512932.db2.gz ABOFEPPDFPMPGW-CRAIPNDOSA-N 0 3 314.429 2.148 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CCc1ccco1 ZINC001154546175 797559631 /nfs/dbraw/zinc/55/96/31/797559631.db2.gz YJZQZTIPLUNYEH-UHFFFAOYSA-N 0 3 315.211 2.217 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001154557191 797562219 /nfs/dbraw/zinc/56/22/19/797562219.db2.gz MJPJZJUIZBCQPF-CRAIPNDOSA-N 0 3 314.429 2.150 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1c(C)noc1C ZINC001154796106 797613233 /nfs/dbraw/zinc/61/32/33/797613233.db2.gz PQMAGWJQMFQTLI-CYBMUJFWSA-N 0 3 319.449 2.419 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccnc2ccc(O)cc21 ZINC001155141395 797692163 /nfs/dbraw/zinc/69/21/63/797692163.db2.gz GAGSTXQBXRFNQG-ZDUSSCGKSA-N 0 3 311.385 2.321 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(OCCOC)c2)C1 ZINC001194217073 797694322 /nfs/dbraw/zinc/69/43/22/797694322.db2.gz FTIKDWBAXARTAG-MRXNPFEDSA-N 0 3 318.417 2.044 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001155175472 797701227 /nfs/dbraw/zinc/70/12/27/797701227.db2.gz XESIFQTUCXNMDS-CHWSQXEVSA-N 0 3 324.856 2.409 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC001155200428 797707334 /nfs/dbraw/zinc/70/73/34/797707334.db2.gz PSUOLMKLRWKDBI-CABCVRRESA-N 0 3 322.474 2.328 20 30 DEEDHN N#CCSCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001194919172 797797266 /nfs/dbraw/zinc/79/72/66/797797266.db2.gz LQGDAAABJSEZEY-UHFFFAOYSA-N 0 3 323.487 2.082 20 30 DEEDHN N#Cc1cc2c(nc1N[C@H]1CCCC[C@@]13CNCCO3)CCC2 ZINC001155833126 797859350 /nfs/dbraw/zinc/85/93/50/797859350.db2.gz GICLHJFWUWFMTG-FUHWJXTLSA-N 0 3 312.417 2.155 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001195287409 797871376 /nfs/dbraw/zinc/87/13/76/797871376.db2.gz PBXCDZATYBXRER-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1csc(-c2ccoc2)n1 ZINC001155883865 797874264 /nfs/dbraw/zinc/87/42/64/797874264.db2.gz NDTICEFFIGPATC-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001195566660 797929268 /nfs/dbraw/zinc/92/92/68/797929268.db2.gz BCAMXTISVUTINX-STXRGCSISA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001195662050 797942395 /nfs/dbraw/zinc/94/23/95/797942395.db2.gz XOUVJMKVNNDVJE-NILFDRSVSA-N 0 3 324.371 2.094 20 30 DEEDHN CC(C)C#CC(=O)N1CCCN(CCCC2CCOCC2)CC1 ZINC001195775034 797960582 /nfs/dbraw/zinc/96/05/82/797960582.db2.gz NGPXJOASZCYSST-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001156288781 797967356 /nfs/dbraw/zinc/96/73/56/797967356.db2.gz JUKYFLBJMIBJIW-ZIAGYGMSSA-N 0 3 304.438 2.236 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)CC ZINC001156318682 797972898 /nfs/dbraw/zinc/97/28/98/797972898.db2.gz FLBJRMNQFBQCNO-AEFFLSMTSA-N 0 3 315.461 2.139 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(C(C)C)nc1C ZINC001156336272 797977942 /nfs/dbraw/zinc/97/79/42/797977942.db2.gz YLPWXAOCIBRNTC-CQSZACIVSA-N 0 3 304.438 2.236 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)CCC1 ZINC001195940058 797980920 /nfs/dbraw/zinc/98/09/20/797980920.db2.gz NYCNJPYWHKDIMX-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN Cc1cc(-n2cncc2CNCc2ccccc2)nc(C#N)n1 ZINC001156496763 798016482 /nfs/dbraw/zinc/01/64/82/798016482.db2.gz VZTVYLTZRMQRLS-UHFFFAOYSA-N 0 3 304.357 2.132 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001196446055 798054231 /nfs/dbraw/zinc/05/42/31/798054231.db2.gz OAGZSOSQCQYIFP-IAGOWNOFSA-N 0 3 321.465 2.377 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C)COc2ccccc2O1 ZINC001156672151 798058732 /nfs/dbraw/zinc/05/87/32/798058732.db2.gz IBSCFNXPGNCOKO-SFHVURJKSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)nn(CCC)c1C ZINC001156672000 798059827 /nfs/dbraw/zinc/05/98/27/798059827.db2.gz BFUCTYJZTVBRFA-UHFFFAOYSA-N 0 3 306.454 2.490 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)OC ZINC001156994364 798124952 /nfs/dbraw/zinc/12/49/52/798124952.db2.gz PPVWRVVDOFTPEU-AEFFLSMTSA-N 0 3 316.445 2.094 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001157132200 798148060 /nfs/dbraw/zinc/14/80/60/798148060.db2.gz FLKQOHKYXKEPQE-CABCVRRESA-N 0 3 302.418 2.259 20 30 DEEDHN Cc1ccc(CC(=O)NCCNCc2ccc(C#N)cc2)s1 ZINC001152318888 798152879 /nfs/dbraw/zinc/15/28/79/798152879.db2.gz ZEUUPBULYZOYQR-UHFFFAOYSA-N 0 3 313.426 2.377 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001197396034 798181245 /nfs/dbraw/zinc/18/12/45/798181245.db2.gz MTQUCCJKXSNBGR-HZPDHXFCSA-N 0 3 320.433 2.453 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCN(C)c2ccccc2)CC1 ZINC001197485882 798194202 /nfs/dbraw/zinc/19/42/02/798194202.db2.gz ZZTCWNPHQFLIRG-UHFFFAOYSA-N 0 3 313.445 2.071 20 30 DEEDHN C=C(C)CN(CC)C(=O)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001197609203 798209177 /nfs/dbraw/zinc/20/91/77/798209177.db2.gz ZPJOLOYWZYZOFZ-QGZVFWFLSA-N 0 3 302.418 2.291 20 30 DEEDHN C=CCC[C@@H](C)N1CCCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001197676766 798224077 /nfs/dbraw/zinc/22/40/77/798224077.db2.gz OBEOYBVPJITUGJ-OAHLLOKOSA-N 0 3 317.433 2.186 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001197812921 798235434 /nfs/dbraw/zinc/23/54/34/798235434.db2.gz XBJTVVZRSTZAND-HUUCEWRRSA-N 0 3 320.433 2.146 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001197997058 798270405 /nfs/dbraw/zinc/27/04/05/798270405.db2.gz UYXZUALKZPARDA-HUUCEWRRSA-N 0 3 324.371 2.365 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)COc2ccccc2)CC1 ZINC001198128927 798282214 /nfs/dbraw/zinc/28/22/14/798282214.db2.gz AIQVZZYTBGGRPE-KRWDZBQOSA-N 0 3 314.429 2.259 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001198103366 798284467 /nfs/dbraw/zinc/28/44/67/798284467.db2.gz FAGZTJLKTYIBNZ-NILFDRSVSA-N 0 3 324.371 2.094 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCOc2cccc(C)c2)CC1 ZINC001198106312 798285385 /nfs/dbraw/zinc/28/53/85/798285385.db2.gz ROGRIBPJDVQXOF-UHFFFAOYSA-N 0 3 314.429 2.322 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1(F)F ZINC001157914172 798304817 /nfs/dbraw/zinc/30/48/17/798304817.db2.gz ZDNZZGPBFGYOQF-KGLIPLIRSA-N 0 3 316.392 2.157 20 30 DEEDHN CC(C)COCCN(C)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001157925488 798307073 /nfs/dbraw/zinc/30/70/73/798307073.db2.gz OEHNVMRCRRBJRG-GOSISDBHSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001198409181 798330735 /nfs/dbraw/zinc/33/07/35/798330735.db2.gz ICOZIJGYJHURRU-IAGOWNOFSA-N 0 3 316.445 2.353 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1cnccc1OC ZINC001158128879 798348307 /nfs/dbraw/zinc/34/83/07/798348307.db2.gz QVZGTOCFNMBBRH-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)COCC)c1ccccc1OC ZINC001198509164 798351494 /nfs/dbraw/zinc/35/14/94/798351494.db2.gz SWHNYDDGYDKDSD-HNNXBMFYSA-N 0 3 306.406 2.055 20 30 DEEDHN C=CCCCN[C@@H](CNC(=O)[C@H](C)OC)c1ccccc1OC ZINC001198577377 798358246 /nfs/dbraw/zinc/35/82/46/798358246.db2.gz JAJCNXMTLNJPCT-HOCLYGCPSA-N 0 3 320.433 2.443 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)C#CC1CC1)NCC1CC1 ZINC001198723828 798382168 /nfs/dbraw/zinc/38/21/68/798382168.db2.gz LBFSJIIIEXATJN-QGZVFWFLSA-N 0 3 312.413 2.266 20 30 DEEDHN C=CCCN[C@H](CNC(=O)c1cnco1)c1ccccc1OC ZINC001198820102 798402832 /nfs/dbraw/zinc/40/28/32/798402832.db2.gz XTTZBIDAEMZIEU-CQSZACIVSA-N 0 3 315.373 2.320 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001198939945 798417272 /nfs/dbraw/zinc/41/72/72/798417272.db2.gz IVURCRBEEKTKFJ-KBAYOESNSA-N 0 3 314.429 2.084 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CCCCC)C[C@H]1O)c1ccccc1 ZINC001198955826 798420895 /nfs/dbraw/zinc/42/08/95/798420895.db2.gz JVWFIESDVMFGIK-RCCFBDPRSA-N 0 3 316.445 2.308 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Oc1ccccc1F ZINC001158655033 798445626 /nfs/dbraw/zinc/44/56/26/798445626.db2.gz RTIAEWQAKVGYNH-GFCCVEGCSA-N 0 3 314.788 2.441 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cccc(OC)n1 ZINC001158689459 798451686 /nfs/dbraw/zinc/45/16/86/798451686.db2.gz JQWRLQDJJJLVJO-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN CCc1ccnc(C(=O)NCCCNCc2ccccc2C#N)c1 ZINC001158690959 798451849 /nfs/dbraw/zinc/45/18/49/798451849.db2.gz PNUISECMAPFFIE-UHFFFAOYSA-N 0 3 322.412 2.425 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001158900948 798486317 /nfs/dbraw/zinc/48/63/17/798486317.db2.gz OTSDUGZEVHAGSI-QGZVFWFLSA-N 0 3 319.449 2.073 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CNC(=O)C(CC)CC ZINC001158977186 798498297 /nfs/dbraw/zinc/49/82/97/798498297.db2.gz YXIXGYIYVRJCLT-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)Nc1cccc(C)c1 ZINC001159014545 798505868 /nfs/dbraw/zinc/50/58/68/798505868.db2.gz BJHNFNCDIXAKAE-UHFFFAOYSA-N 0 3 317.433 2.386 20 30 DEEDHN CCCOCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199628861 798510022 /nfs/dbraw/zinc/51/00/22/798510022.db2.gz GDYSCTUGBOKZML-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC(NCc2cc(C)no2)CC1 ZINC001199659352 798516130 /nfs/dbraw/zinc/51/61/30/798516130.db2.gz QVHZJPFWEIEHCD-AWEZNQCLSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCCN[C@H](C)c1cnccn1)OCC ZINC001159148313 798529460 /nfs/dbraw/zinc/52/94/60/798529460.db2.gz CRTWKPZHOXVJRU-GDBMZVCRSA-N 0 3 320.437 2.005 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CC2CCCCC2)CCCO1 ZINC001199788399 798539409 /nfs/dbraw/zinc/53/94/09/798539409.db2.gz XYOYDYAJOMTNPK-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2c(C)noc2C)CC1 ZINC001159217556 798540211 /nfs/dbraw/zinc/54/02/11/798540211.db2.gz SFAZEXOMDNCODD-UHFFFAOYSA-N 0 3 301.390 2.067 20 30 DEEDHN C[C@H](Nc1nc(C#N)c(Cl)cc1Cl)[C@@H]1CNCCO1 ZINC001159503205 798574867 /nfs/dbraw/zinc/57/48/67/798574867.db2.gz UYGLMDCVHMDQLB-CPCISQLKSA-N 0 3 301.177 2.049 20 30 DEEDHN Cc1ncccc1CN1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159587429 798584486 /nfs/dbraw/zinc/58/44/86/798584486.db2.gz REQHGFHJGVNWTB-AWEZNQCLSA-N 0 3 312.417 2.188 20 30 DEEDHN C#CCCCC(=O)N1CCC(NCc2conc2CC)CC1 ZINC001200317641 798614569 /nfs/dbraw/zinc/61/45/69/798614569.db2.gz ZGRVLMNICFCHEE-UHFFFAOYSA-N 0 3 303.406 2.121 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@](C)(F)CCCC)CCCO1 ZINC001200843055 798686206 /nfs/dbraw/zinc/68/62/06/798686206.db2.gz WIQCUXGJXIXBKB-WBVHZDCISA-N 0 3 312.429 2.135 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2onc(C)c2C)CC1 ZINC001160449433 798690090 /nfs/dbraw/zinc/69/00/90/798690090.db2.gz CVKWXDVOWSGQJV-UHFFFAOYSA-N 0 3 301.390 2.067 20 30 DEEDHN C=CCCOCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC ZINC001110559946 798706177 /nfs/dbraw/zinc/70/61/77/798706177.db2.gz RYZAOXTUBIFVTE-ZACQAIPSSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@@H](CNC[C@H](F)CC)C1 ZINC001201139846 798715015 /nfs/dbraw/zinc/71/50/15/798715015.db2.gz ZNLDVVXFMYYREC-KGLIPLIRSA-N 0 3 300.418 2.154 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@H](CNC[C@H](F)CC)C1 ZINC001201294239 798735018 /nfs/dbraw/zinc/73/50/18/798735018.db2.gz UGNCRBZXHOYBKG-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN Cc1nc(NCc2ncc(C#N)s2)cc(N2CCCC2)n1 ZINC001161001896 798776874 /nfs/dbraw/zinc/77/68/74/798776874.db2.gz YCMQKULJRIMVGW-UHFFFAOYSA-N 0 3 300.391 2.326 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)CCCO1 ZINC001201863566 798802392 /nfs/dbraw/zinc/80/23/92/798802392.db2.gz NPJSYTCWGRTVLR-IRXDYDNUSA-N 0 3 324.440 2.135 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@H](CC)C(C)(C)C)CCCO1 ZINC001201849045 798803925 /nfs/dbraw/zinc/80/39/25/798803925.db2.gz SKOMQEJCIHFWJR-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)CCCF)CC1 ZINC001202033410 798823740 /nfs/dbraw/zinc/82/37/40/798823740.db2.gz MPGQTSSUZDINTA-UHFFFAOYSA-N 0 3 307.207 2.225 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202084810 798824986 /nfs/dbraw/zinc/82/49/86/798824986.db2.gz KTDZFTWLLJILAA-UKRRQHHQSA-N 0 3 318.465 2.267 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202085185 798825983 /nfs/dbraw/zinc/82/59/83/798825983.db2.gz PUNZHCDYGVEBGC-DZGCQCFKSA-N 0 3 316.449 2.324 20 30 DEEDHN CC#CCCCC(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC001202101132 798826872 /nfs/dbraw/zinc/82/68/72/798826872.db2.gz JEBQUSZNXLIWCG-UHFFFAOYSA-N 0 3 314.433 2.059 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001202109262 798833158 /nfs/dbraw/zinc/83/31/58/798833158.db2.gz TWYNADDSTAULDQ-CQSZACIVSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001161354463 798835046 /nfs/dbraw/zinc/83/50/46/798835046.db2.gz GWUSNQGXTBUDDI-UPJWGTAASA-N 0 3 315.255 2.427 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H]2CCCC(C)(C)C2)CCCO1 ZINC001202174351 798836596 /nfs/dbraw/zinc/83/65/96/798836596.db2.gz RXORKPSBFFEKGO-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC1(C(=O)N2CCCO[C@H](CNCCF)C2)CCCC1 ZINC001202243551 798852242 /nfs/dbraw/zinc/85/22/42/798852242.db2.gz MWXCXMPOXNRTHR-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001161796532 798939468 /nfs/dbraw/zinc/93/94/68/798939468.db2.gz LYEJBUQYYAOLNU-SFHVURJKSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCC(F)(F)F)C2 ZINC001110756266 799014502 /nfs/dbraw/zinc/01/45/02/799014502.db2.gz 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C=CCCC(=O)N1CCC[C@@H](NCC(=O)N(CCC)CCC)C1 ZINC001207635433 800794481 /nfs/dbraw/zinc/79/44/81/800794481.db2.gz JUVVEVGNAXABDG-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN Cc1ncoc1C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207745730 800822329 /nfs/dbraw/zinc/82/23/29/800822329.db2.gz WCADEYRVXXRKLP-QGZVFWFLSA-N 0 3 323.396 2.229 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC001207934929 800867533 /nfs/dbraw/zinc/86/75/33/800867533.db2.gz KQTQGXNCPSHGLO-CQSZACIVSA-N 0 3 305.447 2.336 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN(C[C@H]3CCCCO3)C2)CC1 ZINC001207953676 800871664 /nfs/dbraw/zinc/87/16/64/800871664.db2.gz DFUQHIAWUIRKFJ-OAHLLOKOSA-N 0 3 308.422 2.276 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001208239477 800937116 /nfs/dbraw/zinc/93/71/16/800937116.db2.gz AYCJKDMKMQVHBJ-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001208393905 800974005 /nfs/dbraw/zinc/97/40/05/800974005.db2.gz ZITUPAXYADWVIK-HLLBOEOZSA-N 0 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C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2cccc(OC)c2)C1 ZINC001211359098 801552813 /nfs/dbraw/zinc/55/28/13/801552813.db2.gz RWZLQKPPQOMOJI-RHSMWYFYSA-N 0 3 318.417 2.087 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccnn1C ZINC001231070288 801569421 /nfs/dbraw/zinc/56/94/21/801569421.db2.gz LFEFTOFXZFYLPL-HNNXBMFYSA-N 0 3 304.438 2.313 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@H](OC)C1 ZINC001213199281 801581460 /nfs/dbraw/zinc/58/14/60/801581460.db2.gz PCXVMWFBHCSZOE-CHWSQXEVSA-N 0 3 318.408 2.449 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2c[nH]nc2C)[C@H](OC)C1 ZINC001213243656 801586052 /nfs/dbraw/zinc/58/60/52/801586052.db2.gz CMKVYFTZXNKAAA-HZPDHXFCSA-N 0 3 322.453 2.118 20 30 DEEDHN CN(CCCNC(=O)C(C)(C)F)Cc1ccc(C#N)c(F)c1 ZINC001231130155 801586323 /nfs/dbraw/zinc/58/63/23/801586323.db2.gz GXYLOWAQVPZUJL-UHFFFAOYSA-N 0 3 309.360 2.384 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1OC ZINC001213268808 801587829 /nfs/dbraw/zinc/58/78/29/801587829.db2.gz UHISGHWPIDLWOG-IAGOWNOFSA-N 0 3 316.445 2.257 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2cccs2)C[C@H]1OC ZINC001213357425 801599008 /nfs/dbraw/zinc/59/90/08/801599008.db2.gz VHBIWKLSZPILIT-HZPDHXFCSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1OC ZINC001213357399 801599758 /nfs/dbraw/zinc/59/97/58/801599758.db2.gz UFKAQMMRKPSWNG-ZIAGYGMSSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213451642 801610826 /nfs/dbraw/zinc/61/08/26/801610826.db2.gz HLTZAEKOOWRSBA-JHJVBQTASA-N 0 3 304.381 2.059 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2nc(C)oc2C)[C@H](OC)C1 ZINC001213611738 801628549 /nfs/dbraw/zinc/62/85/49/801628549.db2.gz JTJBSUDVEWFLPR-KCPJHIHWSA-N 0 3 321.421 2.075 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC001231407654 801658380 /nfs/dbraw/zinc/65/83/80/801658380.db2.gz MSDILBHNLVZURS-MRXNPFEDSA-N 0 3 306.454 2.455 20 30 DEEDHN CC(C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001214154149 801681981 /nfs/dbraw/zinc/68/19/81/801681981.db2.gz QQIYWFCRKVBXQA-RHSMWYFYSA-N 0 3 302.393 2.270 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214535477 801726991 /nfs/dbraw/zinc/72/69/91/801726991.db2.gz URTBZISMLOTCJE-GYSYKLTISA-N 0 3 321.248 2.069 20 30 DEEDHN Cc1ncsc1CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001214582030 801735295 /nfs/dbraw/zinc/73/52/95/801735295.db2.gz FRDVOFYPRDIZQC-TZMCWYRMSA-N 0 3 305.447 2.047 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc(F)ccn3)C2)C1=O ZINC001232492520 801901428 /nfs/dbraw/zinc/90/14/28/801901428.db2.gz FKLGTIKZBKVRFS-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN Cc1c[nH]c(=O)c(CN2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001233193825 802045166 /nfs/dbraw/zinc/04/51/66/802045166.db2.gz IOCSPYOVFJWAMR-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN Cc1c[nH+]ccc1N1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233387958 802104486 /nfs/dbraw/zinc/10/44/86/802104486.db2.gz GDKSRLKWIGRPGO-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C3(CCF)CC3)[C@H]2C1 ZINC001218369443 802173545 /nfs/dbraw/zinc/17/35/45/802173545.db2.gz XWWHGCWKVFDKGZ-LSDHHAIUSA-N 0 3 310.413 2.004 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CCC)[C@H]2C1 ZINC001218600526 802212464 /nfs/dbraw/zinc/21/24/64/802212464.db2.gz LPEVXXRDRDUVTD-WCXIOVBPSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnnc(C)c1 ZINC001233866300 802229468 /nfs/dbraw/zinc/22/94/68/802229468.db2.gz OUEPULFPYZGGSS-HOCLYGCPSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)Nc1cnc(N(C)CC)nc1 ZINC001218741444 802233625 /nfs/dbraw/zinc/23/36/25/802233625.db2.gz VRCJGJGECXHPBN-AWEZNQCLSA-N 0 3 305.426 2.335 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1C[C@H](OCC)C1CC1 ZINC001233948143 802249097 /nfs/dbraw/zinc/24/90/97/802249097.db2.gz QTMGAWCEWAALIE-IRXDYDNUSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1C[C@H](O)C1CCCCC1 ZINC001233947021 802250223 /nfs/dbraw/zinc/25/02/23/802250223.db2.gz HNWFDQGQKONMDM-MSOLQXFVSA-N 0 3 320.477 2.264 20 30 DEEDHN CN(C[C@H]1CCN1C[C@H]1CCC(F)(F)C1)C(=O)C#CC1CC1 ZINC001234187199 802320720 /nfs/dbraw/zinc/32/07/20/802320720.db2.gz VGOARNCWLGOYJK-LSDHHAIUSA-N 0 3 310.388 2.368 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cnccc2C)[C@@H](O)C1 ZINC001219409390 802325643 /nfs/dbraw/zinc/32/56/43/802325643.db2.gz GXXXECZCVFZFIM-SJORKVTESA-N 0 3 319.449 2.135 20 30 DEEDHN CN(C[C@H]1CCN1CCC[C@H]1CCOC1)C(=O)C#CC(C)(C)C ZINC001234215416 802327350 /nfs/dbraw/zinc/32/73/50/802327350.db2.gz LFIIXGRJCKPBTA-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)n2cccc2)[C@@H](O)C1 ZINC001219467572 802335182 /nfs/dbraw/zinc/33/51/82/802335182.db2.gz NBVCZMQRBQHNFO-BBWFWOEESA-N 0 3 321.465 2.181 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001219490618 802336880 /nfs/dbraw/zinc/33/68/80/802336880.db2.gz QSCGPSIRWRRBER-MSOLQXFVSA-N 0 3 318.461 2.232 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@@H]1O ZINC001219531927 802341961 /nfs/dbraw/zinc/34/19/61/802341961.db2.gz ARCDRYPWUZKTSN-JQHSSLGASA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@@H](O)C1 ZINC001219626211 802355504 /nfs/dbraw/zinc/35/55/04/802355504.db2.gz FZCMCHLTPAURRQ-OAGGEKHMSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@@H](O)C1 ZINC001219684312 802365812 /nfs/dbraw/zinc/36/58/12/802365812.db2.gz LPKQLNWUTDCIOC-ZACQAIPSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@@H](O)C1 ZINC001219710870 802371209 /nfs/dbraw/zinc/37/12/09/802371209.db2.gz MKGZTLDXECQWGX-MSOLQXFVSA-N 0 3 316.445 2.193 20 30 DEEDHN CCOC(=O)C[C@@H](CC#N)Oc1cccc2c1CCN(C)C2 ZINC001234420175 802376029 /nfs/dbraw/zinc/37/60/29/802376029.db2.gz MJHZZJNBWZHGMJ-CQSZACIVSA-N 0 3 302.374 2.289 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001219816992 802381671 /nfs/dbraw/zinc/38/16/71/802381671.db2.gz RYMJCMABXRRRDM-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001234499153 802394486 /nfs/dbraw/zinc/39/44/86/802394486.db2.gz IGNRCGJESBJITQ-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001220118766 802411846 /nfs/dbraw/zinc/41/18/46/802411846.db2.gz VDNWVQYIYWQDLY-CVEARBPZSA-N 0 3 320.408 2.184 20 30 DEEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1[nH]c(C)nc1C)CC2 ZINC001234601157 802426558 /nfs/dbraw/zinc/42/65/58/802426558.db2.gz LHTLFBBDMYSGER-UHFFFAOYSA-N 0 3 318.421 2.247 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 ZINC001220315379 802443700 /nfs/dbraw/zinc/44/37/00/802443700.db2.gz XYZRCFFIRHJDCH-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H](O)C1 ZINC001220328661 802445290 /nfs/dbraw/zinc/44/52/90/802445290.db2.gz NKOFNWHQBACTTF-OLZOCXBDSA-N 0 3 320.424 2.409 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)[C@@H](O)C1 ZINC001220430260 802459383 /nfs/dbraw/zinc/45/93/83/802459383.db2.gz PHWNUVJAAGDTJK-XHSDSOJGSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC23CCC3)[C@@H](O)C1 ZINC001220430259 802459472 /nfs/dbraw/zinc/45/94/72/802459472.db2.gz PHWNUVJAAGDTJK-OAGGEKHMSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](O)C1 ZINC001220667608 802484594 /nfs/dbraw/zinc/48/45/94/802484594.db2.gz MTQUCCJKXSNBGR-CVEARBPZSA-N 0 3 320.433 2.453 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](O)C1 ZINC001220692042 802487497 /nfs/dbraw/zinc/48/74/97/802487497.db2.gz IAXOXSIWBAOOHL-NEPJUHHUSA-N 0 3 322.371 2.093 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@H]1CN(CCCC)C[C@@H]1O)c1ccccc1 ZINC001221042599 802523284 /nfs/dbraw/zinc/52/32/84/802523284.db2.gz PRCSKAFHMBTURH-NXHRZFHOSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCCCN1CC[C@@H]2CN(C(=O)c3cnccn3)[C@@H]2C1 ZINC001221230719 802539524 /nfs/dbraw/zinc/53/95/24/802539524.db2.gz FGMVNHZJEVLVNF-NVXWUHKLSA-N 0 3 314.433 2.369 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001221441449 802574666 /nfs/dbraw/zinc/57/46/66/802574666.db2.gz GRLFBAFLIYPUTB-QZTJIDSGSA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCN(C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221514523 802585503 /nfs/dbraw/zinc/58/55/03/802585503.db2.gz CLWMWMNIHBVUNY-IXDOHACOSA-N 0 3 318.461 2.138 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001221530510 802589799 /nfs/dbraw/zinc/58/97/99/802589799.db2.gz OGASGHUQFCCTLZ-RTBURBONSA-N 0 3 310.441 2.421 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(C[C@H](C)OC)C[C@H]21 ZINC001221573541 802594511 /nfs/dbraw/zinc/59/45/11/802594511.db2.gz LOZGTZSJNDZLRD-USXIJHARSA-N 0 3 306.450 2.322 20 30 DEEDHN C#CCC1(C(=O)N2C[C@H]3CCN(CC[C@@H](C)F)C[C@H]32)CCC1 ZINC001221611640 802596854 /nfs/dbraw/zinc/59/68/54/802596854.db2.gz GZIAPXHPDSTYSP-BZUAXINKSA-N 0 3 306.425 2.461 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3onc(C)c3C)[C@@H]2C1 ZINC001221636258 802598682 /nfs/dbraw/zinc/59/86/82/802598682.db2.gz LBLJDHPMWHCZGH-HUUCEWRRSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001221684150 802603692 /nfs/dbraw/zinc/60/36/92/802603692.db2.gz HMKQZRDIHBGZKD-QBPKDAKJSA-N 0 3 320.477 2.404 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3cnoc3CC)[C@@H]2C1 ZINC001221841791 802620783 /nfs/dbraw/zinc/62/07/83/802620783.db2.gz HSPKEHVXCACUAP-UKRRQHHQSA-N 0 3 303.406 2.350 20 30 DEEDHN C=CCCC(=O)NCC1CCN([C@@H](C)C(=O)N(CC)CC)CC1 ZINC001222578766 802710978 /nfs/dbraw/zinc/71/09/78/802710978.db2.gz GBJCQGZLWPIKKE-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN N#Cc1ncccc1CO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001223060704 802762977 /nfs/dbraw/zinc/76/29/77/802762977.db2.gz YDLHEBDFQOQFTA-IYBDPMFKSA-N 0 3 301.390 2.113 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cccc3cnccc32)CC1 ZINC001223604973 802803589 /nfs/dbraw/zinc/80/35/89/802803589.db2.gz PSOAMEYSDIQCEI-UHFFFAOYSA-N 0 3 321.424 2.239 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C(C)(C)C2CCOCC2)CC1 ZINC001223780466 802815595 /nfs/dbraw/zinc/81/55/95/802815595.db2.gz CXHLNWDGUWEAHN-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2([C@H]3CCCCO3)CCC2)CC1 ZINC001223800230 802816232 /nfs/dbraw/zinc/81/62/32/802816232.db2.gz RKJIGAIXRQPSIU-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CCN(CCOCC(F)F)CC1 ZINC001224051387 802832688 /nfs/dbraw/zinc/83/26/88/802832688.db2.gz UTDREVGRJCCYOT-UHFFFAOYSA-N 0 3 318.408 2.309 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](c2ccncc2)C(C)C)CC1 ZINC001224240760 802850214 /nfs/dbraw/zinc/85/02/14/802850214.db2.gz FURUKGQHDUWSKZ-SFHVURJKSA-N 0 3 313.445 2.283 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCOc2ccc(F)cc2)CC1 ZINC001224318378 802857568 /nfs/dbraw/zinc/85/75/68/802857568.db2.gz HQJHBHUJPMISSH-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C=C(CO[C@H]1CCCN([C@H](C)c2ccccn2)C1)C(=O)OC ZINC001224373280 802861475 /nfs/dbraw/zinc/86/14/75/802861475.db2.gz PIODYRSZNPOGJB-CABCVRRESA-N 0 3 304.390 2.353 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)c2cccnc2)CC1 ZINC001224746306 802900668 /nfs/dbraw/zinc/90/06/68/802900668.db2.gz QJPHROOXBLVGLO-MRXNPFEDSA-N 0 3 313.445 2.427 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC001225271731 802949062 /nfs/dbraw/zinc/94/90/62/802949062.db2.gz YLHFRRBIUKSLDF-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1n[nH]c(CC)n1 ZINC001225308103 802953754 /nfs/dbraw/zinc/95/37/54/802953754.db2.gz UJCXDVRBJRGCNM-MGPQQGTHSA-N 0 3 319.453 2.411 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCn2ccc3ccccc32)CC1 ZINC001225384790 802959655 /nfs/dbraw/zinc/95/96/55/802959655.db2.gz DOXOZXLAURVLLE-UHFFFAOYSA-N 0 3 323.440 2.493 20 30 DEEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C#N ZINC001225396003 802960319 /nfs/dbraw/zinc/96/03/19/802960319.db2.gz WFKAUGAFJUPLAC-MVWJERBFSA-N 0 3 314.227 2.072 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cn2ccc3ccccc32)CC1 ZINC001225478688 802971849 /nfs/dbraw/zinc/97/18/49/802971849.db2.gz IPHAMFHQRHGTJG-UHFFFAOYSA-N 0 3 309.413 2.103 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCN(CCOC2CCCCCC2)CC1 ZINC001226640470 803135524 /nfs/dbraw/zinc/13/55/24/803135524.db2.gz NOXAYSBIWDJXLM-OAHLLOKOSA-N 0 3 321.465 2.466 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@@H](Oc2nc3cccnc3[nH]2)C1 ZINC001226668505 803140050 /nfs/dbraw/zinc/14/00/50/803140050.db2.gz UBQIXBNTHMRRPP-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN C[NH+]1CCC2(CC[C@H](COc3cc(C#N)ccc3[O-])O2)CC1 ZINC001227344665 803232356 /nfs/dbraw/zinc/23/23/56/803232356.db2.gz CBTIYGMYUPFTOO-CQSZACIVSA-N 0 3 302.374 2.286 20 30 DEEDHN N#Cc1ccc(O)c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001227352326 803233357 /nfs/dbraw/zinc/23/33/57/803233357.db2.gz HDLZDQKEUDFKFH-GASCZTMLSA-N 0 3 302.374 2.286 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001228061373 803314058 /nfs/dbraw/zinc/31/40/58/803314058.db2.gz MIHOODLRVITBHP-IAGOWNOFSA-N 0 3 316.449 2.131 20 30 DEEDHN C=CCC1(C(=O)N2CCC(N(C)CCF)CC2)CCOCC1 ZINC001331069162 1149373256 /nfs/dbraw/zinc/37/32/56/1149373256.db2.gz RYNWQCDAKUNSLL-UHFFFAOYSA-N 0 3 312.429 2.252 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1cccc(Cl)c1C ZINC001331457152 1149463764 /nfs/dbraw/zinc/46/37/64/1149463764.db2.gz YGHPMBBSZVRFSC-ZDUSSCGKSA-N 0 3 322.836 2.348 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1csc2cncn21)C1CC1 ZINC001370330517 1149540609 /nfs/dbraw/zinc/54/06/09/1149540609.db2.gz LNKOFMQJMRWHHZ-LLVKDONJSA-N 0 3 324.837 2.246 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001343293957 1150730039 /nfs/dbraw/zinc/73/00/39/1150730039.db2.gz BFJFYXQJQUZYGI-CVEARBPZSA-N 0 3 304.390 2.476 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC001343489277 1150746073 /nfs/dbraw/zinc/74/60/73/1150746073.db2.gz YEUCKUAPTKSMTK-LBPRGKRZSA-N 0 3 305.353 2.333 20 30 DEEDHN CC#CC[C@H](N)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC001574962409 1069310380 /nfs/dbraw/zinc/31/03/80/1069310380.db2.gz KYRMZMSRVZJRAC-KRWDZBQOSA-N 0 3 314.429 2.061 20 30 DEEDHN C=C[C@H](C(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1 ZINC001345932837 1150928849 /nfs/dbraw/zinc/92/88/49/1150928849.db2.gz QXFAUZRVSWAPMS-SFHVURJKSA-N 0 3 315.461 2.052 20 30 DEEDHN CCC(=O)NCC1(NCc2ccc(OC)c(C#N)c2)CCC1 ZINC001368446338 1148447869 /nfs/dbraw/zinc/44/78/69/1148447869.db2.gz FUKWJYQYEKNPFK-UHFFFAOYSA-N 0 3 301.390 2.105 20 30 DEEDHN C=CC1(CC(=O)N2CC[C@H](NCc3c[nH]nn3)C2)CCCCC1 ZINC001575078954 1069359549 /nfs/dbraw/zinc/35/95/49/1069359549.db2.gz SBZLEAPOLIZINZ-AWEZNQCLSA-N 0 3 317.437 2.022 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC2(COC)CC2)C1 ZINC001368472447 1148459200 /nfs/dbraw/zinc/45/92/00/1148459200.db2.gz DATMNTXMJSEDPE-BETUJISGSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001523313622 1069627307 /nfs/dbraw/zinc/62/73/07/1069627307.db2.gz LAIQLWOSRUVTTC-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602753294 1069745096 /nfs/dbraw/zinc/74/50/96/1069745096.db2.gz NMXAGBWDPNPVBU-WFASDCNBSA-N 0 3 317.368 2.077 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602753294 1069745103 /nfs/dbraw/zinc/74/51/03/1069745103.db2.gz NMXAGBWDPNPVBU-WFASDCNBSA-N 0 3 317.368 2.077 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001602883497 1069786698 /nfs/dbraw/zinc/78/66/98/1069786698.db2.gz AVQWMQUGUVKSLP-OAGGEKHMSA-N 0 3 311.389 2.177 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001602883497 1069786707 /nfs/dbraw/zinc/78/67/07/1069786707.db2.gz AVQWMQUGUVKSLP-OAGGEKHMSA-N 0 3 311.389 2.177 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC1(F)F ZINC001328733868 1148829545 /nfs/dbraw/zinc/82/95/45/1148829545.db2.gz RWQVTIDIXHIIHS-KGLIPLIRSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnn(CC2CC2)c1 ZINC001328779546 1148834493 /nfs/dbraw/zinc/83/44/93/1148834493.db2.gz GTERQJUQTRWPDN-INIZCTEOSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]1CN(C)C[C@H]1CCCCO1 ZINC001328797503 1148836756 /nfs/dbraw/zinc/83/67/56/1148836756.db2.gz OLTOBNQVQNWSBL-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)NC(=O)CN(CC)CC)CC1 ZINC001531460784 1071507884 /nfs/dbraw/zinc/50/78/84/1071507884.db2.gz FMQHHVMHKFAHCV-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)CC1 ZINC001500002029 1058423056 /nfs/dbraw/zinc/42/30/56/1058423056.db2.gz DAQGAZPYLUKJMB-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)C1CCN(CC=C)CC1 ZINC001500058283 1058457409 /nfs/dbraw/zinc/45/74/09/1058457409.db2.gz XFNLZUOUGMZYOW-AEFFLSMTSA-N 0 3 318.461 2.446 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)CCCC2CC2)CC1 ZINC001500441870 1058785839 /nfs/dbraw/zinc/78/58/39/1058785839.db2.gz PDXMSVOLWHBRCW-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cnoc2C2CC2)CC1 ZINC001500457577 1058801233 /nfs/dbraw/zinc/80/12/33/1058801233.db2.gz QYWARLBXMIVPNJ-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC001500529854 1058899450 /nfs/dbraw/zinc/89/94/50/1058899450.db2.gz OEYLAXMWXIPEAV-SFHVURJKSA-N 0 3 314.433 2.372 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)CCCOC)C1 ZINC001500542265 1058905696 /nfs/dbraw/zinc/90/56/96/1058905696.db2.gz BBJSMWPRFCLCCH-AEFFLSMTSA-N 0 3 308.466 2.291 20 30 DEEDHN CC#CCCCC(=O)NCC1(NC[C@@H](F)CC)CCOCC1 ZINC001500581792 1058932520 /nfs/dbraw/zinc/93/25/20/1058932520.db2.gz HSSDYASSVPXMEQ-HNNXBMFYSA-N 0 3 312.429 2.183 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001500725973 1059042200 /nfs/dbraw/zinc/04/22/00/1059042200.db2.gz WTJFYLUMPLAKLE-KBXCAEBGSA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cn(C)nc1C ZINC001501378271 1059478801 /nfs/dbraw/zinc/47/88/01/1059478801.db2.gz PGHNCGFAJKCYLF-IAGOWNOFSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cn(C)nc1C ZINC001501378272 1059479430 /nfs/dbraw/zinc/47/94/30/1059479430.db2.gz PGHNCGFAJKCYLF-IRXDYDNUSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1snnc1C ZINC001501657847 1059614050 /nfs/dbraw/zinc/61/40/50/1059614050.db2.gz CQUJACAYIMKMCT-UHFFFAOYSA-N 0 3 316.430 2.394 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)OCc2ccccc2C)CCC1 ZINC001501985612 1059832547 /nfs/dbraw/zinc/83/25/47/1059832547.db2.gz BHHBATMKPFYKFN-MRXNPFEDSA-N 0 3 314.429 2.162 20 30 DEEDHN C#CCNC1(CNC(=O)c2csc(-c3ccco3)n2)CCC1 ZINC001501994534 1059845909 /nfs/dbraw/zinc/84/59/09/1059845909.db2.gz GECICFQCWNMMBS-UHFFFAOYSA-N 0 3 315.398 2.278 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cc(F)ccc2OC)CCC1 ZINC001502012038 1059867167 /nfs/dbraw/zinc/86/71/67/1059867167.db2.gz TWDWHWVBFLPSMW-UHFFFAOYSA-N 0 3 318.392 2.029 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2(C)CCC(C)CC2)CCC1 ZINC001502030672 1059886026 /nfs/dbraw/zinc/88/60/26/1059886026.db2.gz JARIZTQIBWIDRI-UHFFFAOYSA-N 0 3 320.477 2.481 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2sccc2C(C)C)CCO1 ZINC001502094205 1059924795 /nfs/dbraw/zinc/92/47/95/1059924795.db2.gz CKUGULIGGJUQRY-CQSZACIVSA-N 0 3 320.458 2.325 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)CCC)C2)CC1 ZINC001502100196 1059928422 /nfs/dbraw/zinc/92/84/22/1059928422.db2.gz XXIFZRFTEDLRLU-DLBZAZTESA-N 0 3 307.482 2.217 20 30 DEEDHN Cc1ccncc1CN1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 ZINC001502111805 1059940924 /nfs/dbraw/zinc/94/09/24/1059940924.db2.gz CBVZPPNGASELNX-GDBMZVCRSA-N 0 3 300.406 2.020 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)C2=CCCCCC2)CC1 ZINC001502119083 1059952775 /nfs/dbraw/zinc/95/27/75/1059952775.db2.gz PWRPGWXECCOIAL-SFHVURJKSA-N 0 3 318.461 2.497 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001534128861 1071932031 /nfs/dbraw/zinc/93/20/31/1071932031.db2.gz LPBBTXMMVQJDIE-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001502145760 1059991479 /nfs/dbraw/zinc/99/14/79/1059991479.db2.gz XRFLXFAPSRRCLV-SJORKVTESA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001502357438 1060068036 /nfs/dbraw/zinc/06/80/36/1060068036.db2.gz VUJUPDOUSOFGCP-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H](C)c1c(C)noc1C ZINC001502382328 1060096894 /nfs/dbraw/zinc/09/68/94/1060096894.db2.gz PBMMCPMIJRAFEK-CYBMUJFWSA-N 0 3 305.422 2.199 20 30 DEEDHN CC[C@H](C)CC(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001502541633 1060170239 /nfs/dbraw/zinc/17/02/39/1060170239.db2.gz QOQMZEJKVZDAQY-PKOBYXMFSA-N 0 3 320.477 2.387 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H](C)[C@H](NCc2cncs2)C1 ZINC001502734918 1060257613 /nfs/dbraw/zinc/25/76/13/1060257613.db2.gz MRKQIFRGLCENIR-DZGCQCFKSA-N 0 3 305.447 2.273 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001502819850 1060327001 /nfs/dbraw/zinc/32/70/01/1060327001.db2.gz CDFLFJDTMOUNHJ-WMLDXEAASA-N 0 3 324.428 2.435 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccsc2)C[C@@H]1C ZINC001503004053 1060419103 /nfs/dbraw/zinc/41/91/03/1060419103.db2.gz VNHQHLFDWPIBAU-UONOGXRCSA-N 0 3 306.431 2.119 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@H](C)C(=O)N(CC)CC ZINC001505403131 1060537005 /nfs/dbraw/zinc/53/70/05/1060537005.db2.gz ZYIOWCTYUNEWRN-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(CCOC)CC1 ZINC001505414435 1060553320 /nfs/dbraw/zinc/55/33/20/1060553320.db2.gz GFUBCNSEGFPPFA-IAGOWNOFSA-N 0 3 314.429 2.361 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001505429667 1060578310 /nfs/dbraw/zinc/57/83/10/1060578310.db2.gz SDYFJXOAESFERY-IEBWSBKVSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cn2cc(C)ccc2n1 ZINC001505436118 1060596028 /nfs/dbraw/zinc/59/60/28/1060596028.db2.gz VUTRZIPAGKKUQO-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CC[C@H]1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC001473788688 1060728372 /nfs/dbraw/zinc/72/83/72/1060728372.db2.gz RYLHSHDDANDPLI-HNNXBMFYSA-N 0 3 313.401 2.297 20 30 DEEDHN C[C@@H](NC(=O)c1cscn1)[C@H](C)NCC#Cc1ccccc1 ZINC001505575582 1060730576 /nfs/dbraw/zinc/73/05/76/1060730576.db2.gz PHNULLGCDWMPSJ-UONOGXRCSA-N 0 3 313.426 2.291 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](c2cnccn2)C1 ZINC001473833237 1060736737 /nfs/dbraw/zinc/73/67/37/1060736737.db2.gz JMNWKDPBOLFRMK-OAHLLOKOSA-N 0 3 321.384 2.166 20 30 DEEDHN C#Cc1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC001474157785 1060823745 /nfs/dbraw/zinc/82/37/45/1060823745.db2.gz XRFUTWNGFFCINS-MRXNPFEDSA-N 0 3 311.406 2.329 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001505944117 1061161419 /nfs/dbraw/zinc/16/14/19/1061161419.db2.gz RTWSMYJTLJZWOA-HZPDHXFCSA-N 0 3 301.434 2.135 20 30 DEEDHN C=CCCC(=O)NC[C@H]1C[C@@H](NCc2cccc(OC)n2)C1 ZINC001479281848 1061363089 /nfs/dbraw/zinc/36/30/89/1061363089.db2.gz BERKGIMOMLMOID-OTVXOJSOSA-N 0 3 303.406 2.041 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1OCC ZINC001479531770 1061497229 /nfs/dbraw/zinc/49/72/29/1061497229.db2.gz FXLHFWMCPMFXRA-HZSPNIEDSA-N 0 3 314.857 2.238 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCOCC)C(C)(C)[C@@H]21 ZINC001479612178 1061520387 /nfs/dbraw/zinc/52/03/87/1061520387.db2.gz JSLFKSQCIIPNED-KBAYOESNSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cc(C)sc2C)C1 ZINC001479654919 1061570745 /nfs/dbraw/zinc/57/07/45/1061570745.db2.gz QQADWVIHIUOBPS-OAHLLOKOSA-N 0 3 322.474 2.450 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@@H](NCC(=O)NCC(C)C)C1 ZINC001479686503 1061600612 /nfs/dbraw/zinc/60/06/12/1061600612.db2.gz YVIIFIFMEYRQHV-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN COCc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)cc1 ZINC001479701613 1061616708 /nfs/dbraw/zinc/61/67/08/1061616708.db2.gz KMJVPPJAOGRKGK-VBQJREDUSA-N 0 3 315.417 2.072 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCOC2CCCCCC2)[C@@H]1C ZINC001479701699 1061616744 /nfs/dbraw/zinc/61/67/44/1061616744.db2.gz MKSDKHZNNKCOLS-UXLLHSPISA-N 0 3 321.465 2.464 20 30 DEEDHN C=CCCC(=O)N(C)CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001351479127 1151554019 /nfs/dbraw/zinc/55/40/19/1151554019.db2.gz NSCJWTZUBGWNKY-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@]34CCO[C@@H]3CCCC4)C2)C1 ZINC001479758528 1061694394 /nfs/dbraw/zinc/69/43/94/1061694394.db2.gz 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/nfs/dbraw/zinc/14/53/36/1062145336.db2.gz PEQHVGBOQOTTDA-FUHWJXTLSA-N 0 3 318.461 2.209 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCOC1 ZINC001480097145 1062322261 /nfs/dbraw/zinc/32/22/61/1062322261.db2.gz CZAQZWZJLRLRDA-AIANPOQGSA-N 0 3 310.413 2.145 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC(C)(C)O)C[C@H]2C1 ZINC001506856943 1062438756 /nfs/dbraw/zinc/43/87/56/1062438756.db2.gz JMHJJWCKNZKVIB-MELADBBJSA-N 0 3 314.857 2.117 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001480268066 1062569072 /nfs/dbraw/zinc/56/90/72/1062569072.db2.gz GNWRMWHDMFUEIR-INIZCTEOSA-N 0 3 302.393 2.220 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@H](C)NC(=O)c2occc2C)C1 ZINC001480371704 1062729907 /nfs/dbraw/zinc/72/99/07/1062729907.db2.gz DNRDGSPEPHMVRX-HOTGVXAUSA-N 0 3 318.417 2.068 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)COCC2CCCC2)C1 ZINC001480379607 1062751509 /nfs/dbraw/zinc/75/15/09/1062751509.db2.gz KQOZHCBFMPXDGS-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN 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324.359 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001368601900 1148518335 /nfs/dbraw/zinc/51/83/35/1148518335.db2.gz QECMWJYKHWVGLE-HDJSIYSDSA-N 0 3 314.857 2.430 20 30 DEEDHN CC[C@H](SC)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001497565711 1066142229 /nfs/dbraw/zinc/14/22/29/1066142229.db2.gz TVZSVZISJGTBKS-AWFCHZOYSA-N 0 3 317.458 2.462 20 30 DEEDHN COc1ccc(CNC/C=C\CNC(=O)C#CC(C)C)cc1C ZINC001497579588 1066148185 /nfs/dbraw/zinc/14/81/85/1066148185.db2.gz PPLWSHZNYHTAIC-WAYWQWQTSA-N 0 3 314.429 2.425 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001497621986 1066193863 /nfs/dbraw/zinc/19/38/63/1066193863.db2.gz ZDWUJDAKWJIIAC-WRFKIARRSA-N 0 3 312.413 2.089 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC001575244103 1066234913 /nfs/dbraw/zinc/23/49/13/1066234913.db2.gz QOKRMMMFABTKSA-RDBSUJKOSA-N 0 3 323.437 2.024 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)Cc1ccoc1 ZINC001497805809 1066331054 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C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)CC2(CCCCC2)O1 ZINC001576759911 1066681950 /nfs/dbraw/zinc/68/19/50/1066681950.db2.gz GBLNAWHQACXJKG-HUUCEWRRSA-N 0 3 307.438 2.348 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNCc1nccn1C ZINC001498491542 1066742713 /nfs/dbraw/zinc/74/27/13/1066742713.db2.gz PXHSSPSQPCNISJ-HUUCEWRRSA-N 0 3 318.465 2.397 20 30 DEEDHN CCC[C@]1(C(=O)OCC)CCCN1C(=O)[C@H](N)CCCCC#N ZINC001577371818 1066826697 /nfs/dbraw/zinc/82/66/97/1066826697.db2.gz OHYMIGNNSMQPQZ-RHSMWYFYSA-N 0 3 323.437 2.122 20 30 DEEDHN CCCC[C@H](N)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC001577403545 1066833966 /nfs/dbraw/zinc/83/39/66/1066833966.db2.gz BKTCJSBRAPFWIG-HNNXBMFYSA-N 0 3 300.406 2.177 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001577426572 1066839543 /nfs/dbraw/zinc/83/95/43/1066839543.db2.gz RVFRJLVPNSIQFD-JYJNAYRXSA-N 0 3 323.481 2.334 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001577429889 1066839620 /nfs/dbraw/zinc/83/96/20/1066839620.db2.gz AHLCJJFPQDHSPY-PMPSAXMXSA-N 0 3 323.481 2.334 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC001577426257 1066840372 /nfs/dbraw/zinc/84/03/72/1066840372.db2.gz JSNRIDZDFITFRM-LRAJWGHMSA-N 0 3 316.511 2.434 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2cnns2)[C@H](CC)C1 ZINC001498886074 1066940515 /nfs/dbraw/zinc/94/05/15/1066940515.db2.gz LKQOITYGNBAEJN-UKRRQHHQSA-N 0 3 320.462 2.058 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001499092613 1067086442 /nfs/dbraw/zinc/08/64/42/1067086442.db2.gz HSTJIHKJACWLJG-UONOGXRCSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1c[nH]c2ncccc12 ZINC001499131937 1067110407 /nfs/dbraw/zinc/11/04/07/1067110407.db2.gz MTLOYIAMCQWRNO-OAHLLOKOSA-N 0 3 312.417 2.262 20 30 DEEDHN CC(F)(F)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001499143988 1067117251 /nfs/dbraw/zinc/11/72/51/1067117251.db2.gz WKVMYJQTENIOPX-UHFFFAOYSA-N 0 3 311.307 2.091 20 30 DEEDHN Cc1c(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)ccn1C ZINC001499340290 1067189781 /nfs/dbraw/zinc/18/97/81/1067189781.db2.gz UOPPZDXRKSYJBA-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN CC(=O)CCCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001369223779 1148873578 /nfs/dbraw/zinc/87/35/78/1148873578.db2.gz FGQMXOZKYDYDSX-LBPRGKRZSA-N 0 3 321.446 2.316 20 30 DEEDHN COc1ncc(NC(=O)[C@@H](N)CC2CCCCC2)cc1C#N ZINC001579324213 1067306350 /nfs/dbraw/zinc/30/63/50/1067306350.db2.gz DLMQXFKYFGONSO-AWEZNQCLSA-N 0 3 302.378 2.198 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001267037553 1078520586 /nfs/dbraw/zinc/52/05/86/1078520586.db2.gz GPVVWWJGCOHVJU-UQWZVYRLSA-N 0 3 321.248 2.071 20 30 DEEDHN C[C@@H](NC[C@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1cnccn1 ZINC001267039868 1078522400 /nfs/dbraw/zinc/52/24/00/1078522400.db2.gz ZNUXONPUQALCEN-HUUCEWRRSA-N 0 3 314.433 2.025 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@@H]1C[C@H]1C1CCCC1)C2 ZINC001580043790 1067480180 /nfs/dbraw/zinc/48/01/80/1067480180.db2.gz RDAFELFINRZYOE-CLEAANHHSA-N 0 3 301.434 2.068 20 30 DEEDHN N#Cc1ccc2c(c1)CN(C(=O)c1cc3c(s1)CNCC3)C2 ZINC001580074632 1067490693 /nfs/dbraw/zinc/49/06/93/1067490693.db2.gz KZDZNSBIYZTGFM-UHFFFAOYSA-N 0 3 309.394 2.421 20 30 DEEDHN N#Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)c1 ZINC001580078000 1067492066 /nfs/dbraw/zinc/49/20/66/1067492066.db2.gz HOCMRHVVJMTKLF-OAHLLOKOSA-N 0 3 320.352 2.023 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCOCc2ccccc2)C1 ZINC001267114306 1078591223 /nfs/dbraw/zinc/59/12/23/1078591223.db2.gz CPAWWHVNGUWXLP-SFHVURJKSA-N 0 3 314.429 2.149 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(OC)c(C)c1 ZINC001317544081 1078602066 /nfs/dbraw/zinc/60/20/66/1078602066.db2.gz GYWIMZJPGWQVEP-UHFFFAOYSA-N 0 3 302.418 2.469 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H](CNCc1cncs1)C1CC1 ZINC001483559689 1078596615 /nfs/dbraw/zinc/59/66/15/1078596615.db2.gz JHEXIMBGHRKAJX-CQSZACIVSA-N 0 3 305.447 2.177 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ccc1F ZINC001570591693 1068024574 /nfs/dbraw/zinc/02/45/74/1068024574.db2.gz AVXIPWDSNKAXPD-UONOGXRCSA-N 0 3 308.397 2.320 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)Nc1ccccc1C ZINC001570593012 1068025381 /nfs/dbraw/zinc/02/53/81/1068025381.db2.gz OCPHWEHILJSYJK-CABCVRRESA-N 0 3 317.433 2.383 20 30 DEEDHN C[C@H](C(=O)NC1(CNCC#N)CCCCC1)N1CCCCCC1 ZINC001570803214 1068121210 /nfs/dbraw/zinc/12/12/10/1068121210.db2.gz MAPVIADRRGYCJL-MRXNPFEDSA-N 0 3 320.481 2.183 20 30 DEEDHN CN(CCNC(=O)C#CC1CC1)[C@H]1CCc2ccc(F)cc21 ZINC001267193885 1078656660 /nfs/dbraw/zinc/65/66/60/1078656660.db2.gz FPMWPBQTDDQHBM-KRWDZBQOSA-N 0 3 300.377 2.274 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CCc2ccco2)C(C)(C)C1 ZINC001570888730 1068150216 /nfs/dbraw/zinc/15/02/16/1068150216.db2.gz JXGSRVRGUHZCHB-MRXNPFEDSA-N 0 3 320.433 2.241 20 30 DEEDHN C[C@@H]1CCCC[C@@H]1OCCN(C)CCNC(=O)C#CC1CC1 ZINC001267194771 1078657699 /nfs/dbraw/zinc/65/76/99/1078657699.db2.gz XVDYABAETIFBPM-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2CN(C[C@@H](C)O)CC2(C)C)CCCCC1 ZINC001570909981 1068157661 /nfs/dbraw/zinc/15/76/61/1068157661.db2.gz UTGDJFDTJAWGJG-CVEARBPZSA-N 0 3 320.477 2.168 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001267207636 1078665611 /nfs/dbraw/zinc/66/56/11/1078665611.db2.gz MNILZHLISFOTTQ-OAHLLOKOSA-N 0 3 304.821 2.441 20 30 DEEDHN Cc1cnc(CNCCC[C@H](C)NC(=O)C#CC(C)(C)C)cn1 ZINC001571253165 1068204142 /nfs/dbraw/zinc/20/41/42/1068204142.db2.gz FXHMGPGXGQJHLZ-AWEZNQCLSA-N 0 3 316.449 2.209 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccncn2)CCCCC1 ZINC001409794189 1078669563 /nfs/dbraw/zinc/66/95/63/1078669563.db2.gz GHGFBAMSLTZKNL-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)NCC(=O)N1CCCCC1 ZINC001571398631 1068273657 /nfs/dbraw/zinc/27/36/57/1068273657.db2.gz AFLUQKSJCHQGBE-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)NCC(=O)NC1CCCC1 ZINC001571404242 1068277986 /nfs/dbraw/zinc/27/79/86/1068277986.db2.gz IEDXQPQPZMOCMT-KDOFPFPSSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001571411633 1068283063 /nfs/dbraw/zinc/28/30/63/1068283063.db2.gz HMFFCSZYPPUUPT-GFCCVEGCSA-N 0 3 322.371 2.051 20 30 DEEDHN C[C@@H](N[C@@H](CO)CNC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC001571429127 1068289715 /nfs/dbraw/zinc/28/97/15/1068289715.db2.gz WVVOWAFXSAKSQM-CZUORRHYSA-N 0 3 320.408 2.003 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(COC)cc2)C1 ZINC001571492652 1068348948 /nfs/dbraw/zinc/34/89/48/1068348948.db2.gz HGOQGKNRFGVJFS-WMLDXEAASA-N 0 3 300.402 2.049 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)OCC(C)C)CCC[C@H]12 ZINC001571497083 1068357727 /nfs/dbraw/zinc/35/77/27/1068357727.db2.gz MAFXWQZOZBPKFG-XYJFISCASA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCCC(=O)NC[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001511789570 1068390135 /nfs/dbraw/zinc/39/01/35/1068390135.db2.gz PCEDBLLXUFVPOW-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCC(=O)N1C[C@H](NCC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC001571552506 1068416543 /nfs/dbraw/zinc/41/65/43/1068416543.db2.gz YKKHLFBGWUPGPN-INIZCTEOSA-N 0 3 302.393 2.414 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](CNCc1cnn(C)c1)C(C)(C)C ZINC001571625990 1068448478 /nfs/dbraw/zinc/44/84/78/1068448478.db2.gz PJHUWVYUIAQSBT-OAHLLOKOSA-N 0 3 306.454 2.397 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001267280186 1078726411 /nfs/dbraw/zinc/72/64/11/1078726411.db2.gz BBRWWJNEZXESRU-HOTGVXAUSA-N 0 3 300.402 2.058 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001267299492 1078746298 /nfs/dbraw/zinc/74/62/98/1078746298.db2.gz CRGWAHLXDJDOMG-HZPDHXFCSA-N 0 3 318.465 2.269 20 30 DEEDHN CCCN(CCNC(=O)C#CC1CC1)Cc1cccc(C#N)c1 ZINC001267312877 1078758562 /nfs/dbraw/zinc/75/85/62/1078758562.db2.gz QWXHEHMGZOTSMC-UHFFFAOYSA-N 0 3 309.413 2.300 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001572268315 1068711934 /nfs/dbraw/zinc/71/19/34/1068711934.db2.gz POPXOUJEJXFRAV-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001572543537 1068797431 /nfs/dbraw/zinc/79/74/31/1068797431.db2.gz KFMSBKXZADKNMM-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)CN1CCOCC1 ZINC001643056629 1078782411 /nfs/dbraw/zinc/78/24/11/1078782411.db2.gz HYJATKRKANKKEG-INIZCTEOSA-N 0 3 322.449 2.118 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)Cc1ccoc1 ZINC001267365675 1078795751 /nfs/dbraw/zinc/79/57/51/1078795751.db2.gz GRCCSOBHOXBHEY-UHFFFAOYSA-N 0 3 315.348 2.081 20 30 DEEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)NCc2cccc(Cl)c2)C1 ZINC001518425488 1069004407 /nfs/dbraw/zinc/00/44/07/1069004407.db2.gz GVNWZBYDINCUMM-GDLCADMTSA-N 0 3 320.776 2.090 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](COC)Cc1ccccc1 ZINC001521674850 1069260224 /nfs/dbraw/zinc/26/02/24/1069260224.db2.gz WXFQYYXOIHXEAW-DLBZAZTESA-N 0 3 304.434 2.386 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](COC)Cc1ccccc1 ZINC001521674851 1069261254 /nfs/dbraw/zinc/26/12/54/1069261254.db2.gz WXFQYYXOIHXEAW-IAGOWNOFSA-N 0 3 304.434 2.386 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2ccc(C(=O)OC)cc21 ZINC001574851777 1069276482 /nfs/dbraw/zinc/27/64/82/1069276482.db2.gz LOZLKHBXLODYHV-ZDUSSCGKSA-N 0 3 322.792 2.222 20 30 DEEDHN COCC#CCNCCN(C)C(=O)CC(C)(C)c1ccccc1 ZINC001267473971 1078894447 /nfs/dbraw/zinc/89/44/47/1078894447.db2.gz MKTSJOBMHABVFG-UHFFFAOYSA-N 0 3 316.445 2.052 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1cccc(=O)[nH]1)c1ccccc1 ZINC001267517050 1078946634 /nfs/dbraw/zinc/94/66/34/1078946634.db2.gz LUFBDLISKTUHOX-INIZCTEOSA-N 0 3 311.385 2.424 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)CCc2ccncn2)C1 ZINC001267541583 1078971229 /nfs/dbraw/zinc/97/12/29/1078971229.db2.gz DPIALWAGTJQHTM-QGZVFWFLSA-N 0 3 316.449 2.298 20 30 DEEDHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)o1 ZINC001272588829 1078988653 /nfs/dbraw/zinc/98/86/53/1078988653.db2.gz ZGRHAQMXBMHZDC-HZPDHXFCSA-N 0 3 301.390 2.457 20 30 DEEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1c(F)cccc1F ZINC001649015857 1079029685 /nfs/dbraw/zinc/02/96/85/1079029685.db2.gz BMTHMBNDWNVYDK-KRVINZRLSA-N 0 3 319.355 2.281 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCCF)C1 ZINC001108124362 1086448287 /nfs/dbraw/zinc/44/82/87/1086448287.db2.gz JQDQOUVFLRTISL-GOEBONIOSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1CCn1cccn1 ZINC001481042947 1079118999 /nfs/dbraw/zinc/11/89/99/1079118999.db2.gz XNUSQXGUFBSWNU-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCOCC=C)C1 ZINC001483802088 1079130438 /nfs/dbraw/zinc/13/04/38/1079130438.db2.gz NYURRYWKFJWLMA-ZWKOTPCHSA-N 0 3 318.461 2.305 20 30 DEEDHN CC[C@H](C)CCC(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001483846860 1079147792 /nfs/dbraw/zinc/14/77/92/1079147792.db2.gz CTNZNBNLFLKPBZ-HKUYNNGSSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cn1ncc2ccccc21 ZINC001481066618 1079146542 /nfs/dbraw/zinc/14/65/42/1079146542.db2.gz YIBMNFUFRJNBKM-INIZCTEOSA-N 0 3 312.417 2.193 20 30 DEEDHN Cc1nocc1C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001369272864 1148887429 /nfs/dbraw/zinc/88/74/29/1148887429.db2.gz NILZLRCUGAHUPT-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](CC)Oc2ccccc2F)C1 ZINC001481119668 1079214185 /nfs/dbraw/zinc/21/41/85/1079214185.db2.gz ZCTCLCFFAHZGFD-GOEBONIOSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCCc2sccc2C)C1 ZINC001481120437 1079215476 /nfs/dbraw/zinc/21/54/76/1079215476.db2.gz DKYMFDAWMOMNLK-HNNXBMFYSA-N 0 3 304.459 2.451 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(C[C@@H](O)C2CCCCC2)C1 ZINC001267614777 1079225120 /nfs/dbraw/zinc/22/51/20/1079225120.db2.gz RQFMKEMMQRBTBE-QZTJIDSGSA-N 0 3 320.477 2.168 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](OCC)C1CC1)C2 ZINC001484021061 1079247257 /nfs/dbraw/zinc/24/72/57/1079247257.db2.gz XSYHEQKGOBKRIO-HKUYNNGSSA-N 0 3 318.461 2.139 20 30 DEEDHN CCc1nc(C)c(CNC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001484084227 1079294722 /nfs/dbraw/zinc/29/47/22/1079294722.db2.gz WDBJQICGUCTZPO-PXAZEXFGSA-N 0 3 318.421 2.033 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001267626508 1079300115 /nfs/dbraw/zinc/30/01/15/1079300115.db2.gz YFMGOMIHTMLFAA-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN C=CCN(CCNC(=O)c1cn(C)nc1C1CCCC1)C1CC1 ZINC001481185781 1079305338 /nfs/dbraw/zinc/30/53/38/1079305338.db2.gz JTJGCZJTZHZIDG-UHFFFAOYSA-N 0 3 316.449 2.458 20 30 DEEDHN COc1cc(CCC(=O)C(C#N)c2ncc(F)cc2F)on1 ZINC001646920781 1074695065 /nfs/dbraw/zinc/69/50/65/1074695065.db2.gz RRZPUSDFCORVOF-SNVBAGLBSA-N 0 3 307.256 2.165 20 30 DEEDHN C=CCN(CCNC(=O)c1ccncc1C(F)(F)F)C1CC1 ZINC001481191791 1079314841 /nfs/dbraw/zinc/31/48/41/1079314841.db2.gz KAVATNFGDRXBOF-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN CCc1cccc(CN(C)[C@@H](C)CNC(=O)CSCC#N)c1 ZINC001329387484 1148890088 /nfs/dbraw/zinc/89/00/88/1148890088.db2.gz ZMGSGJQGPSYJFL-AWEZNQCLSA-N 0 3 319.474 2.442 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001484165827 1079340671 /nfs/dbraw/zinc/34/06/71/1079340671.db2.gz ZKWFSXUSELWKKR-KRWDZBQOSA-N 0 3 304.438 2.482 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccnc(N(C)C)c2)C1 ZINC001484170300 1079343485 /nfs/dbraw/zinc/34/34/85/1079343485.db2.gz NJPSRRFXFAZDKE-SFHVURJKSA-N 0 3 316.449 2.166 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC001566697160 1074977830 /nfs/dbraw/zinc/97/78/30/1074977830.db2.gz PYMQNHYBMLOWFN-HZPDHXFCSA-N 0 3 322.449 2.075 20 30 DEEDHN C=CCCC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCOCC1 ZINC001484180216 1079344580 /nfs/dbraw/zinc/34/45/80/1079344580.db2.gz QEEJGOXRCONFFI-UHFFFAOYSA-N 0 3 318.417 2.227 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](OC)C1CCCC1 ZINC001567854319 1075103976 /nfs/dbraw/zinc/10/39/76/1075103976.db2.gz BHUZHDCSZOUZIR-BZSNNMDCSA-N 0 3 318.461 2.280 20 30 DEEDHN CC#CC[C@@H](CO)NCc1ccc(OC(=O)CC)c(OCC)c1 ZINC001560519396 1075141238 /nfs/dbraw/zinc/14/12/38/1075141238.db2.gz AYQQTCCSQPJIRB-HNNXBMFYSA-N 0 3 319.401 2.265 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001565821691 1075188761 /nfs/dbraw/zinc/18/87/61/1075188761.db2.gz ORDBRQPTEHNPCZ-LBPRGKRZSA-N 0 3 310.829 2.186 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001565849437 1075196730 /nfs/dbraw/zinc/19/67/30/1075196730.db2.gz FPJHBRGQJSPOCK-HRCADAONSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCOCC)C(C)(C)[C@H]21 ZINC001565993661 1075214244 /nfs/dbraw/zinc/21/42/44/1075214244.db2.gz VMHSXQUCHOKPIC-OIISXLGYSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COCCc2ccccc2)[C@H]1CC ZINC001566029942 1075218100 /nfs/dbraw/zinc/21/81/00/1075218100.db2.gz WGAJVWUBAULDQH-ZWKOTPCHSA-N 0 3 316.445 2.401 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCN(C[C@H]2CC(C)(C)CO2)[C@@H]1C ZINC001566087465 1075227491 /nfs/dbraw/zinc/22/74/91/1075227491.db2.gz VBJPKCFORHVDPD-OAGGEKHMSA-N 0 3 306.450 2.040 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001566683098 1075316770 /nfs/dbraw/zinc/31/67/70/1075316770.db2.gz YWLHQTOIBJCWMQ-AWEZNQCLSA-N 0 3 308.447 2.074 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001267710283 1079397177 /nfs/dbraw/zinc/39/71/77/1079397177.db2.gz NQUDYIJSAUQWHC-JYJNAYRXSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001567022419 1075418308 /nfs/dbraw/zinc/41/83/08/1075418308.db2.gz LBUQQBLZMOVCSM-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1nc(C)c[nH]1 ZINC001567262736 1075480512 /nfs/dbraw/zinc/48/05/12/1075480512.db2.gz KGGVTBHALUACHV-ZDUSSCGKSA-N 0 3 310.829 2.445 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H](N(C)C(=O)c2snnc2C)C1 ZINC001267757894 1079459555 /nfs/dbraw/zinc/45/95/55/1079459555.db2.gz ZWXCXCQCBOIXJT-AAEUAGOBSA-N 0 3 308.451 2.348 20 30 DEEDHN CC(C)OCCN1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267754907 1079457071 /nfs/dbraw/zinc/45/70/71/1079457071.db2.gz YSPZHSJZFORIRJ-GOSISDBHSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001267771563 1079477488 /nfs/dbraw/zinc/47/74/88/1079477488.db2.gz IXVCUHKVWXGMKO-KRWDZBQOSA-N 0 3 318.465 2.335 20 30 DEEDHN C=CC1(CC(=O)N(CC)[C@H]2CCN(CCO)C2)CCCCC1 ZINC001267791894 1079499220 /nfs/dbraw/zinc/49/92/20/1079499220.db2.gz YFMFPORFFZNCOJ-INIZCTEOSA-N 0 3 308.466 2.428 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)CN(CC)CC ZINC001581254370 1076059739 /nfs/dbraw/zinc/05/97/39/1076059739.db2.gz KTKPEXSMTVIQBH-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001583734265 1076274059 /nfs/dbraw/zinc/27/40/59/1076274059.db2.gz MMBVZDNPYRRIFF-HUUCEWRRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588425998 1076447338 /nfs/dbraw/zinc/44/73/38/1076447338.db2.gz GBNYKQPNXDPSRH-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588425998 1076447343 /nfs/dbraw/zinc/44/73/43/1076447343.db2.gz GBNYKQPNXDPSRH-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@H+](CC)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588425998 1076447346 /nfs/dbraw/zinc/44/73/46/1076447346.db2.gz GBNYKQPNXDPSRH-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588425998 1076447351 /nfs/dbraw/zinc/44/73/51/1076447351.db2.gz GBNYKQPNXDPSRH-UHFFFAOYSA-N 0 3 314.393 2.093 20 30 DEEDHN N#C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001592672894 1076950549 /nfs/dbraw/zinc/95/05/49/1076950549.db2.gz PHTGAVISGBEELL-WFASDCNBSA-N 0 3 323.404 2.133 20 30 DEEDHN N#C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001592672894 1076950552 /nfs/dbraw/zinc/95/05/52/1076950552.db2.gz PHTGAVISGBEELL-WFASDCNBSA-N 0 3 323.404 2.133 20 30 DEEDHN C#CCSCC(=O)N(CCCc1ccccc1)CCN(C)C ZINC001597780266 1077101832 /nfs/dbraw/zinc/10/18/32/1077101832.db2.gz GIXXOIJHPUOUAH-UHFFFAOYSA-N 0 3 318.486 2.376 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609050894 1077748247 /nfs/dbraw/zinc/74/82/47/1077748247.db2.gz HDONUUGOACSIRD-GDBMZVCRSA-N 0 3 313.405 2.246 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609050894 1077748251 /nfs/dbraw/zinc/74/82/51/1077748251.db2.gz HDONUUGOACSIRD-GDBMZVCRSA-N 0 3 313.405 2.246 20 30 DEEDHN CC(C)[NH+](CCNc1c(C#N)cccc1-c1nnn[n-]1)C(C)C ZINC001609098620 1077761281 /nfs/dbraw/zinc/76/12/81/1077761281.db2.gz YKXVMAJCZGLWKJ-UHFFFAOYSA-N 0 3 313.409 2.269 20 30 DEEDHN CC(C)[NH+](CCNc1c(C#N)cccc1-c1nn[n-]n1)C(C)C ZINC001609098620 1077761284 /nfs/dbraw/zinc/76/12/84/1077761284.db2.gz YKXVMAJCZGLWKJ-UHFFFAOYSA-N 0 3 313.409 2.269 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](CC)OCC)cc1 ZINC001267933757 1079615815 /nfs/dbraw/zinc/61/58/15/1079615815.db2.gz LZJLQUINWXTRHI-KRWDZBQOSA-N 0 3 302.418 2.231 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2OCC[C@H]2CC)cc1 ZINC001484558251 1079660005 /nfs/dbraw/zinc/66/00/05/1079660005.db2.gz CEWJLJUZSTZUHY-LESCRADOSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CNCc1cnc(C)s1 ZINC001484614248 1079681978 /nfs/dbraw/zinc/68/19/78/1079681978.db2.gz MHJFFRIDFUQONK-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CNCc2snnc2C)CCC1 ZINC001268002423 1079685277 /nfs/dbraw/zinc/68/52/77/1079685277.db2.gz WVHSTDJDTAVGCQ-LBPRGKRZSA-N 0 3 322.478 2.435 20 30 DEEDHN C=CCCC[NH2+]C1(CNC(=O)c2cccc3n[n-]nc32)CCC1 ZINC001484635946 1079695407 /nfs/dbraw/zinc/69/54/07/1079695407.db2.gz WHTQDULXFIHXAZ-UHFFFAOYSA-N 0 3 313.405 2.166 20 30 DEEDHN CCCc1cc(C(=O)N(C)CCNCC#CCOC)sc1C ZINC001481312491 1079707334 /nfs/dbraw/zinc/70/73/34/1079707334.db2.gz QFTAVLDHUNTYQJ-UHFFFAOYSA-N 0 3 322.474 2.320 20 30 DEEDHN CCC(C)(C)CC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001484715331 1079740174 /nfs/dbraw/zinc/74/01/74/1079740174.db2.gz NIMZPGNAOQRLHI-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](CC)c2c(C)noc2C)CC1 ZINC001484726630 1079748998 /nfs/dbraw/zinc/74/89/98/1079748998.db2.gz QKWAESKQIKCWKS-HZPDHXFCSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCCN[C@H](CNC(=O)COC)c1ccc(C(C)C)cc1 ZINC001481358394 1079754015 /nfs/dbraw/zinc/75/40/15/1079754015.db2.gz SYQNASZCGPLHNV-QGZVFWFLSA-N 0 3 302.418 2.227 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccnc(OC2CCC2)c1 ZINC001484763245 1079775406 /nfs/dbraw/zinc/77/54/06/1079775406.db2.gz GABVNCAHGANNLI-UHFFFAOYSA-N 0 3 315.417 2.040 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccc(Cl)cc1 ZINC001484763661 1079775546 /nfs/dbraw/zinc/77/55/46/1079775546.db2.gz AQVNUVOOXQCECX-UHFFFAOYSA-N 0 3 322.836 2.384 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(F)c(OC)c1 ZINC001484758085 1079783971 /nfs/dbraw/zinc/78/39/71/1079783971.db2.gz DXHDVMFGBXSCTH-UHFFFAOYSA-N 0 3 306.381 2.252 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481446003 1079862317 /nfs/dbraw/zinc/86/23/17/1079862317.db2.gz JKTXAAMHAYRRAQ-HOTGVXAUSA-N 0 3 318.465 2.351 20 30 DEEDHN CCC#C[C@@H](C)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001652557643 1079883076 /nfs/dbraw/zinc/88/30/76/1079883076.db2.gz BNDUABWLYAWDRJ-MRXNPFEDSA-N 0 3 323.481 2.273 20 30 DEEDHN C#CCCN1CCN(CCC(=O)Nc2cc(F)ccc2C)CC1 ZINC001653180648 1079916145 /nfs/dbraw/zinc/91/61/45/1079916145.db2.gz ZJLACEXJJKXPTM-UHFFFAOYSA-N 0 3 317.408 2.104 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001653441858 1079928953 /nfs/dbraw/zinc/92/89/53/1079928953.db2.gz LUUHWVQSZFGASN-DLBZAZTESA-N 0 3 302.418 2.208 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001485143064 1080008613 /nfs/dbraw/zinc/00/86/13/1080008613.db2.gz GXGQFXZWAGURGZ-HUUCEWRRSA-N 0 3 320.408 2.157 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ccc1F ZINC001485143062 1080009429 /nfs/dbraw/zinc/00/94/29/1080009429.db2.gz GXGQFXZWAGURGZ-CABCVRRESA-N 0 3 320.408 2.157 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001485153170 1080018623 /nfs/dbraw/zinc/01/86/23/1080018623.db2.gz PUSQFIQDEQEMSN-CHWSQXEVSA-N 0 3 321.469 2.441 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)NCc1cn(C)nc1C ZINC001485154994 1080019183 /nfs/dbraw/zinc/01/91/83/1080019183.db2.gz ZPWGFHCCUZEWSH-CHWSQXEVSA-N 0 3 306.454 2.314 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)Cn1cc(Cl)cn1 ZINC001656093178 1080040737 /nfs/dbraw/zinc/04/07/37/1080040737.db2.gz OGMBMJQFINXCRA-CQSZACIVSA-N 0 3 310.829 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(OC)nc1 ZINC001485182213 1080041587 /nfs/dbraw/zinc/04/15/87/1080041587.db2.gz SGNYYQFHTBMZQR-STQMWFEESA-N 0 3 305.422 2.285 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001656182535 1080061491 /nfs/dbraw/zinc/06/14/91/1080061491.db2.gz PUVNAMVTUGPMNT-QXRTWZOPSA-N 0 3 314.404 2.318 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@H](NCc3ccns3)C2)C1 ZINC001656222708 1080068017 /nfs/dbraw/zinc/06/80/17/1080068017.db2.gz WQTATKJQMDLTFS-JOCQHMNTSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2c(C)noc2C)[C@H]1CC ZINC001656759739 1080121272 /nfs/dbraw/zinc/12/12/72/1080121272.db2.gz QLEZWMVKGYBRBI-JKSUJKDBSA-N 0 3 305.422 2.379 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC001656771562 1080122672 /nfs/dbraw/zinc/12/26/72/1080122672.db2.gz MBYHMJLHGDYAFR-CQSZACIVSA-N 0 3 308.447 2.141 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001656779452 1080122951 /nfs/dbraw/zinc/12/29/51/1080122951.db2.gz ALSFERFLHVLHFZ-ZJPYXAASSA-N 0 3 320.477 2.284 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ncc(C)cc1OC)C1CC1 ZINC001493377028 1080129572 /nfs/dbraw/zinc/12/95/72/1080129572.db2.gz JWQOESAVZBSFHQ-UHFFFAOYSA-N 0 3 303.406 2.169 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N(C)CCn1nc(C)cc1C ZINC001485310925 1080132032 /nfs/dbraw/zinc/13/20/32/1080132032.db2.gz XFHIRHDGBWRDSV-MRXNPFEDSA-N 0 3 306.454 2.293 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001657091096 1080155139 /nfs/dbraw/zinc/15/51/39/1080155139.db2.gz FGNRGUXUDNOJJP-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)OCc1ccc(C)cc1 ZINC001268243523 1080225460 /nfs/dbraw/zinc/22/54/60/1080225460.db2.gz MMRLGWKAWRHYGK-MRXNPFEDSA-N 0 3 304.434 2.476 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001268243886 1080226359 /nfs/dbraw/zinc/22/63/59/1080226359.db2.gz QPKFTRYUBJRSHW-KRWDZBQOSA-N 0 3 316.445 2.314 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC001659206357 1080234639 /nfs/dbraw/zinc/23/46/39/1080234639.db2.gz ILJLCIQAGCCCMB-GFCCVEGCSA-N 0 3 323.824 2.257 20 30 DEEDHN CCCCCC(=O)N1CC[C@@H]2[C@@H](CCN2CC#CCOC)C1 ZINC001268261499 1080239399 /nfs/dbraw/zinc/23/93/99/1080239399.db2.gz DLNHLOGWSRQFCZ-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN COCC#CCN1CC[C@@H]2CN(C(=O)CCCC3CC3)CC[C@H]21 ZINC001268264857 1080243108 /nfs/dbraw/zinc/24/31/08/1080243108.db2.gz HMIOUSLHJDYEPF-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001481666090 1080272076 /nfs/dbraw/zinc/27/20/76/1080272076.db2.gz BUBUJXAZHJGGHU-PVAVHDDUSA-N 0 3 306.450 2.443 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001660174183 1080280925 /nfs/dbraw/zinc/28/09/25/1080280925.db2.gz NANDFELPUQFXNJ-KRWDZBQOSA-N 0 3 314.429 2.186 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)CCOc2ccccc2C)C1 ZINC001485535502 1080289603 /nfs/dbraw/zinc/28/96/03/1080289603.db2.gz LUQYIIFKKPKLKT-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001481678976 1080293725 /nfs/dbraw/zinc/29/37/25/1080293725.db2.gz SILMGDVYOXSFOZ-KBMXLJTQSA-N 0 3 316.449 2.465 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001481678975 1080294401 /nfs/dbraw/zinc/29/44/01/1080294401.db2.gz SILMGDVYOXSFOZ-BPUTZDHNSA-N 0 3 316.449 2.465 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CN(CCOC(C)C)CC1(C)C ZINC001485563841 1080306548 /nfs/dbraw/zinc/30/65/48/1080306548.db2.gz HSKNXWQHVKCUKU-INIZCTEOSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](OC)C2CCCC2)C(C)(C)C1 ZINC001485580399 1080312458 /nfs/dbraw/zinc/31/24/58/1080312458.db2.gz HYNSARZJTHCPCX-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CC[C@H](CCOC)NCc1sc(N(C)C)nc1Cl ZINC001660404114 1080325464 /nfs/dbraw/zinc/32/54/64/1080325464.db2.gz STLRIAGHUHVJNG-SNVBAGLBSA-N 0 3 301.843 2.381 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC001485616530 1080334633 /nfs/dbraw/zinc/33/46/33/1080334633.db2.gz SRRNANNJOMVJNI-OSYLJGHBSA-N 0 3 313.445 2.478 20 30 DEEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)c1ccc[nH]1 ZINC001268341877 1080341930 /nfs/dbraw/zinc/34/19/30/1080341930.db2.gz IXCBLOGHSQJUDG-LBPRGKRZSA-N 0 3 314.364 2.324 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CCNCc2ccccc2C#N)co1 ZINC001268355996 1080364228 /nfs/dbraw/zinc/36/42/28/1080364228.db2.gz KHUAVDPGUFAQOI-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC001485694510 1080377822 /nfs/dbraw/zinc/37/78/22/1080377822.db2.gz LBFLTDZRCOYHPJ-UMSPYCQHSA-N 0 3 320.780 2.073 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C)C1CC1 ZINC001660731519 1080388847 /nfs/dbraw/zinc/38/88/47/1080388847.db2.gz GLEOGCVOSUQHND-ZDUSSCGKSA-N 0 3 316.449 2.124 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(COC)o1 ZINC001268381749 1080400686 /nfs/dbraw/zinc/40/06/86/1080400686.db2.gz JBXRBABCRPAETH-NSHDSACASA-N 0 3 300.786 2.277 20 30 DEEDHN COC[C@H](C)N1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001660859275 1080409930 /nfs/dbraw/zinc/40/99/30/1080409930.db2.gz IITKDDCIAMRVHV-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C23CCC(CC2)C3)CC1 ZINC001660887853 1080412238 /nfs/dbraw/zinc/41/22/38/1080412238.db2.gz SEZPJQKVQRHRMD-UHFFFAOYSA-N 0 3 319.493 2.267 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCOCCN(C)Cc1cccc(Cl)c1 ZINC001485771128 1080424558 /nfs/dbraw/zinc/42/45/58/1080424558.db2.gz VJWDLXPHQQNQGF-ZDUSSCGKSA-N 0 3 323.824 2.064 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](NCc2cncn2C)C2CC2)CC1 ZINC001661162176 1080450290 /nfs/dbraw/zinc/45/02/90/1080450290.db2.gz CWFGSIFKPVKFTF-KRWDZBQOSA-N 0 3 316.449 2.151 20 30 DEEDHN N#CCCCN1CC[C@@]2(CCCN(Cc3cnoc3)CC2)C1=O ZINC001272709870 1080467673 /nfs/dbraw/zinc/46/76/73/1080467673.db2.gz MEBAEQDQPMQPJU-KRWDZBQOSA-N 0 3 316.405 2.183 20 30 DEEDHN COc1ccc(CNCCNC(=O)C[C@H](C)C(C)C)cc1C#N ZINC001124681505 1080473355 /nfs/dbraw/zinc/47/33/55/1080473355.db2.gz PYROFPOUZVOLFF-AWEZNQCLSA-N 0 3 317.433 2.455 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1ncccc1C)CC2 ZINC001272715895 1080482214 /nfs/dbraw/zinc/48/22/14/1080482214.db2.gz UMACTFZSNXOHQP-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001661462910 1080483563 /nfs/dbraw/zinc/48/35/63/1080483563.db2.gz IBINSMNALUDSNB-HDJSIYSDSA-N 0 3 320.437 2.311 20 30 DEEDHN C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCN(CCn2cccn2)C1 ZINC001481770008 1080487568 /nfs/dbraw/zinc/48/75/68/1080487568.db2.gz YDQICWPXQBUGLU-MRXNPFEDSA-N 0 3 318.465 2.408 20 30 DEEDHN CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001661533546 1080490434 /nfs/dbraw/zinc/49/04/34/1080490434.db2.gz DPURNCNTEINEFU-MQVJKMGUSA-N 0 3 306.450 2.184 20 30 DEEDHN CC[C@H](CNC(=O)c1ncoc1C)NCC#Cc1ccccc1 ZINC001481794564 1080506991 /nfs/dbraw/zinc/50/69/91/1080506991.db2.gz KRRBXMSOKUQHPE-MRXNPFEDSA-N 0 3 311.385 2.133 20 30 DEEDHN Cc1ccncc1CN1CCC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001661719535 1080512359 /nfs/dbraw/zinc/51/23/59/1080512359.db2.gz SITWIQJGLASBJI-QGZVFWFLSA-N 0 3 313.445 2.378 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C[C@H](C)c2ccncc2)C1 ZINC001661722606 1080513155 /nfs/dbraw/zinc/51/31/55/1080513155.db2.gz AJCQQLAGXOMEKX-DLBZAZTESA-N 0 3 313.445 2.427 20 30 DEEDHN COc1ccc(C(C)C)cc1CNCCNC(=O)[C@@H](C)C#N ZINC001124903927 1080519416 /nfs/dbraw/zinc/51/94/16/1080519416.db2.gz UKZJGYKDUZHIND-ZDUSSCGKSA-N 0 3 303.406 2.184 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001481815187 1080521904 /nfs/dbraw/zinc/52/19/04/1080521904.db2.gz QEWVTCLOZDSKHQ-STQMWFEESA-N 0 3 315.421 2.411 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCCN1CCc1cnn(CC)c1 ZINC001661856624 1080534609 /nfs/dbraw/zinc/53/46/09/1080534609.db2.gz RAKWXURHVHLNLM-KRWDZBQOSA-N 0 3 318.465 2.382 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(COC)CCC2)C1 ZINC001661995042 1080559389 /nfs/dbraw/zinc/55/93/89/1080559389.db2.gz CERWJAUKNHZWLO-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCCOC2)CCCC1 ZINC001481892674 1080581948 /nfs/dbraw/zinc/58/19/48/1080581948.db2.gz TXWKTBKKYXBVFW-ZDUSSCGKSA-N 0 3 300.830 2.184 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNCC(=O)N1CCCCC1 ZINC001268477194 1080583073 /nfs/dbraw/zinc/58/30/73/1080583073.db2.gz NRAOMDFCFJPFML-SFHVURJKSA-N 0 3 323.481 2.039 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001662244137 1080587491 /nfs/dbraw/zinc/58/74/91/1080587491.db2.gz GFDMECWXURBCKZ-CYBMUJFWSA-N 0 3 302.422 2.189 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)COc1ccc(C(C)C)cc1 ZINC001662271957 1080590771 /nfs/dbraw/zinc/59/07/71/1080590771.db2.gz CTXYIPASDROFET-HNNXBMFYSA-N 0 3 302.418 2.306 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)NCc1cccc(F)c1 ZINC001662362204 1080601580 /nfs/dbraw/zinc/60/15/80/1080601580.db2.gz 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C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCCOCCC=C ZINC001672522954 1081609264 /nfs/dbraw/zinc/60/92/64/1081609264.db2.gz SOARZVVBDLHEIT-MSOLQXFVSA-N 0 3 318.461 2.448 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC001672778858 1081626505 /nfs/dbraw/zinc/62/65/05/1081626505.db2.gz RBWIMWQMUMFQNU-CYBMUJFWSA-N 0 3 310.829 2.097 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cnc(C)n1C ZINC001672929893 1081723289 /nfs/dbraw/zinc/72/32/89/1081723289.db2.gz UXCKUYQGHABCGB-UHFFFAOYSA-N 0 3 324.428 2.114 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(C(F)(F)F)no1 ZINC001673444851 1081772129 /nfs/dbraw/zinc/77/21/29/1081772129.db2.gz BLJLRINBKVZOBK-UHFFFAOYSA-N 0 3 317.311 2.111 20 30 DEEDHN C=CCN(C)CCCN(C)C(=O)c1cc(=O)c2ccccc2o1 ZINC001673486323 1081774571 /nfs/dbraw/zinc/77/45/71/1081774571.db2.gz FBGIRDWNRXTDAI-UHFFFAOYSA-N 0 3 314.385 2.373 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001673483678 1081774638 /nfs/dbraw/zinc/77/46/38/1081774638.db2.gz YDVJQGLYVJGXPR-IAGOWNOFSA-N 0 3 308.466 2.241 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cccc(Cl)c1 ZINC001673483268 1081775266 /nfs/dbraw/zinc/77/52/66/1081775266.db2.gz OGEXETBKDWNJKJ-UHFFFAOYSA-N 0 3 322.836 2.384 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H](OC)C2CCC2)C(C)(C)C1 ZINC001674022404 1081828324 /nfs/dbraw/zinc/82/83/24/1081828324.db2.gz CDJFTMLWWLVYBC-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COCc2ccccc2C)C[C@H]1C ZINC001674146556 1081846254 /nfs/dbraw/zinc/84/62/54/1081846254.db2.gz GIVHAPHZPMAMQF-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cnn3ccccc23)C1 ZINC001271000484 1081870875 /nfs/dbraw/zinc/87/08/75/1081870875.db2.gz XHMDOIOVAPTMME-LJQANCHMSA-N 0 3 324.428 2.190 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc2n[nH]cc2c1 ZINC001674469949 1081877338 /nfs/dbraw/zinc/87/73/38/1081877338.db2.gz RAQJQTGFKQDVGE-MRXNPFEDSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1c(C)noc1C ZINC001674496369 1081881177 /nfs/dbraw/zinc/88/11/77/1081881177.db2.gz 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C=CCCCC(=O)N1C[C@H](C)[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001279147655 1082115275 /nfs/dbraw/zinc/11/52/75/1082115275.db2.gz BAMQZYWBMAUXPN-GOEBONIOSA-N 0 3 318.465 2.269 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccnn1C ZINC001271727134 1082123751 /nfs/dbraw/zinc/12/37/51/1082123751.db2.gz GLZOTXLDXFTPSF-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2ccccc2OC(C)C)C1 ZINC001266537414 1082132022 /nfs/dbraw/zinc/13/20/22/1082132022.db2.gz LDTKMGAGOLRROY-MRXNPFEDSA-N 0 3 314.429 2.088 20 30 DEEDHN CC(C)[C@H](CNC(=O)c1ccc[nH]1)NCC#Cc1ccccc1 ZINC001482514298 1082136912 /nfs/dbraw/zinc/13/69/12/1082136912.db2.gz IWXATYYMJVZEBC-SFHVURJKSA-N 0 3 309.413 2.410 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C ZINC001482519708 1082140134 /nfs/dbraw/zinc/14/01/34/1082140134.db2.gz ZIFJTVKFHJGMMD-HZMBPMFUSA-N 0 3 308.451 2.150 20 30 DEEDHN C#CCN(C(=O)c1cccc(CC)n1)C1CCN(CC=C)CC1 ZINC001671481417 1082144582 /nfs/dbraw/zinc/14/45/82/1082144582.db2.gz 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/nfs/dbraw/zinc/21/86/95/1082218695.db2.gz RDSPECLEHNOXMV-JOCQHMNTSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001670706706 1082225535 /nfs/dbraw/zinc/22/55/35/1082225535.db2.gz CLBKWABNXRGOTE-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001670713932 1082241906 /nfs/dbraw/zinc/24/19/06/1082241906.db2.gz MWHCTWNEKQORDJ-GJZGRUSLSA-N 0 3 316.449 2.236 20 30 DEEDHN Cc1cccc(OCCN(C)CCN(C)C(=O)C#CC2CC2)c1 ZINC001272014036 1082266967 /nfs/dbraw/zinc/26/69/67/1082266967.db2.gz WDAOOWZLTBDFJJ-UHFFFAOYSA-N 0 3 314.429 2.177 20 30 DEEDHN CN(CCNCc1cc(F)cc(F)c1)C(=O)c1ccc(C#N)[nH]1 ZINC001266677671 1082275202 /nfs/dbraw/zinc/27/52/02/1082275202.db2.gz ODYRPHDDOGANNS-UHFFFAOYSA-N 0 3 318.327 2.026 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001266679691 1082277648 /nfs/dbraw/zinc/27/76/48/1082277648.db2.gz BELSEALGMFUZCJ-JKIFEVAISA-N 0 3 324.371 2.029 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001266683227 1082281552 /nfs/dbraw/zinc/28/15/52/1082281552.db2.gz KQHADRRUZGQXJL-YUELXQCFSA-N 0 3 320.820 2.115 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001266683225 1082281655 /nfs/dbraw/zinc/28/16/55/1082281655.db2.gz KQHADRRUZGQXJL-AEGPPILISA-N 0 3 320.820 2.115 20 30 DEEDHN Cc1ncoc1C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971285184 1082284800 /nfs/dbraw/zinc/28/48/00/1082284800.db2.gz NZPBTQIXBUKSBN-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN CC[C@@H](C)[C@@H](OC)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266752909 1082322427 /nfs/dbraw/zinc/32/24/27/1082322427.db2.gz VPAJMZCNRXPABW-RHSMWYFYSA-N 0 3 317.433 2.167 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)Cc1cccc2cnccc21 ZINC001272050292 1082337601 /nfs/dbraw/zinc/33/76/01/1082337601.db2.gz ZZDRQQYFZYKETM-UHFFFAOYSA-N 0 3 309.413 2.191 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001266855447 1082399530 /nfs/dbraw/zinc/39/95/30/1082399530.db2.gz CEQZLUGNXULYCP-IXDOHACOSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001266860092 1082404678 /nfs/dbraw/zinc/40/46/78/1082404678.db2.gz WWHFBTMQTAPCDB-CQSZACIVSA-N 0 3 324.856 2.310 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCOCC(C)C)C1 ZINC001266888363 1082431811 /nfs/dbraw/zinc/43/18/11/1082431811.db2.gz CYTDBWDZDSZPCX-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ncc(Cl)n1C ZINC001482670208 1082454122 /nfs/dbraw/zinc/45/41/22/1082454122.db2.gz AKZJFODKIXBYPG-QWHCGFSZSA-N 0 3 324.856 2.414 20 30 DEEDHN Cc1cnc(CNC[C@@H]2CCC[C@H]2NC(=O)C#CC2CC2)s1 ZINC001482679518 1082470127 /nfs/dbraw/zinc/47/01/27/1082470127.db2.gz XYUHCZZJPRYRKB-LSDHHAIUSA-N 0 3 317.458 2.239 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c[nH]c2ncccc12 ZINC001482900164 1082546130 /nfs/dbraw/zinc/54/61/30/1082546130.db2.gz CYGWETVCDNNBBO-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@]1(C)CCOc2ccccc21 ZINC001272152594 1082608517 /nfs/dbraw/zinc/60/85/17/1082608517.db2.gz YUAJTPPTQFLISR-IBGZPJMESA-N 0 3 314.429 2.140 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1sc(C2CC2)nc1C ZINC001483011154 1082622915 /nfs/dbraw/zinc/62/29/15/1082622915.db2.gz OVAMACZSSFLCPH-AATRIKPKSA-N 0 3 303.431 2.228 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001483023056 1082628877 /nfs/dbraw/zinc/62/88/77/1082628877.db2.gz GNTRNMAGZBQFQW-PLNGDYQASA-N 0 3 314.414 2.037 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001483034913 1082636862 /nfs/dbraw/zinc/63/68/62/1082636862.db2.gz OYVRDWGVBJOAKD-JFDDCEBESA-N 0 3 304.434 2.011 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001483050340 1082663050 /nfs/dbraw/zinc/66/30/50/1082663050.db2.gz VYAQVTPVYFKYKU-WOKKZYQVSA-N 0 3 309.413 2.366 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001483093817 1082703187 /nfs/dbraw/zinc/70/31/87/1082703187.db2.gz URQFDYNOMGAWRY-AATRIKPKSA-N 0 3 311.385 2.075 20 30 DEEDHN CCO[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001483209413 1082810081 /nfs/dbraw/zinc/81/00/81/1082810081.db2.gz DYEPKOLXKUFPOY-KBPBESRZSA-N 0 3 322.836 2.211 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001483213679 1082814113 /nfs/dbraw/zinc/81/41/13/1082814113.db2.gz NRPTYUBJNMUXQB-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN COc1ccc(C)cc1CNC[C@H](C)NC(=O)C#CC1CC1 ZINC001483226424 1082828126 /nfs/dbraw/zinc/82/81/26/1082828126.db2.gz UMPAOZMRNPADAV-AWEZNQCLSA-N 0 3 300.402 2.011 20 30 DEEDHN Cc1cc(C(=O)N[C@H](C)CN(C)Cc2cccc(C#N)c2)no1 ZINC001483308689 1083088760 /nfs/dbraw/zinc/08/87/60/1083088760.db2.gz YEWZNLOCEMZYGJ-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)CSCC#N ZINC001483312515 1083094018 /nfs/dbraw/zinc/09/40/18/1083094018.db2.gz UPPLPYOIGXDVPK-GFCCVEGCSA-N 0 3 309.410 2.019 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001276670199 1083539957 /nfs/dbraw/zinc/53/99/57/1083539957.db2.gz NUKRBZBZVFSEPH-LDLYASANSA-N 0 3 321.424 2.156 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)CC(F)(F)F)[C@@H]2C1 ZINC001276725465 1083572307 /nfs/dbraw/zinc/57/23/07/1083572307.db2.gz ICFYUQOVTACWLK-XDQVBPFNSA-N 0 3 316.367 2.282 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC001276762103 1083591945 /nfs/dbraw/zinc/59/19/45/1083591945.db2.gz QNZGJLOTGUYPPB-WMLDXEAASA-N 0 3 318.417 2.178 20 30 DEEDHN C=CCCCCN1CC[C@@H]2C[C@@]21C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001276885161 1083663469 /nfs/dbraw/zinc/66/34/69/1083663469.db2.gz GCVTWSOHHMOMKI-CUSZFKRNSA-N 0 3 306.450 2.443 20 30 DEEDHN Cc1cc(CN2C[C@@H]3CCN(c4cccc(C#N)c4)[C@@H]3C2)n(C)n1 ZINC001276958453 1083701453 /nfs/dbraw/zinc/70/14/53/1083701453.db2.gz OXICQLRBVIXJJL-QFBILLFUSA-N 0 3 321.428 2.311 20 30 DEEDHN Cc1cccc(N2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)n1 ZINC001276980694 1083717507 /nfs/dbraw/zinc/71/75/07/1083717507.db2.gz FADRIMJTXQSONY-FUHWJXTLSA-N 0 3 321.428 2.311 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNCc2cc(OC)no2)C1 ZINC001276987887 1083721892 /nfs/dbraw/zinc/72/18/92/1083721892.db2.gz PUYUYIVAWSLMSU-JOCQHMNTSA-N 0 3 321.421 2.270 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2ccncc2Cl)C1 ZINC001490885640 1083747157 /nfs/dbraw/zinc/74/71/57/1083747157.db2.gz DPHGFHGWBYJXLC-HDJSIYSDSA-N 0 3 305.809 2.275 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001077744558 1083784765 /nfs/dbraw/zinc/78/47/65/1083784765.db2.gz XJDLWLXMOPTKPR-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCCCCN1CC2(C[C@@H]2C(=O)Nc2nnco2)C1 ZINC001277153652 1083814988 /nfs/dbraw/zinc/81/49/88/1083814988.db2.gz UWJBXZZEVHZUQW-CYBMUJFWSA-N 0 3 304.394 2.467 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(OC)ns1 ZINC001277193356 1083839337 /nfs/dbraw/zinc/83/93/37/1083839337.db2.gz FDQFTVIDDJYGOY-JTQLQIEISA-N 0 3 317.842 2.392 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc(C)nnc1C ZINC001277200379 1083843920 /nfs/dbraw/zinc/84/39/20/1083843920.db2.gz HUMMICWFPAMBBY-NSHDSACASA-N 0 3 310.829 2.334 20 30 DEEDHN CCCCCCCN1CC2(C[C@@H]2C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001277226505 1083856832 /nfs/dbraw/zinc/85/68/32/1083856832.db2.gz YYBALKVIBNDFEG-MRXNPFEDSA-N 0 3 320.477 2.262 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](NCc2conc2C)C1)OCC ZINC001490896292 1083860060 /nfs/dbraw/zinc/86/00/60/1083860060.db2.gz MEMNGFWBSJZILZ-JYJNAYRXSA-N 0 3 321.421 2.091 20 30 DEEDHN C#CCCCC(=O)NC[C@@]1(C)CN(CC2CC(C)(C)C2)CCO1 ZINC001107903821 1083863745 /nfs/dbraw/zinc/86/37/45/1083863745.db2.gz YIPXHPDNACBHLO-IBGZPJMESA-N 0 3 320.477 2.433 20 30 DEEDHN CC(C)C[C@H](C)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932769 1083906298 /nfs/dbraw/zinc/90/62/98/1083906298.db2.gz RPQITCUWYHNYBT-QFBILLFUSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](CCC)OC)C2)CC1 ZINC001277490145 1084001342 /nfs/dbraw/zinc/00/13/42/1084001342.db2.gz ORVXSAROBSQWNA-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1ccc2sccc2c1 ZINC001277529050 1084020068 /nfs/dbraw/zinc/02/00/68/1084020068.db2.gz UEDWWFHUULNPSN-UHFFFAOYSA-N 0 3 316.426 2.213 20 30 DEEDHN COc1ccc(CNC(=O)[C@H](N)C2CCCCCC2)cc1C#N ZINC001649053920 1084051100 /nfs/dbraw/zinc/05/11/00/1084051100.db2.gz YPWAFVYMYLVKFO-QGZVFWFLSA-N 0 3 315.417 2.481 20 30 DEEDHN Cc1nc(C)c(CN2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)s1 ZINC001491103418 1084073588 /nfs/dbraw/zinc/07/35/88/1084073588.db2.gz VLUBNLHMOCVYHA-BXUZGUMPSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCN(Cc1ocnc1C)CC2 ZINC001272798811 1084074155 /nfs/dbraw/zinc/07/41/55/1084074155.db2.gz LAIDRALKKKXJGP-UHFFFAOYSA-N 0 3 315.417 2.211 20 30 DEEDHN Cc1cncc(CN2CCC[C@H](CNC(=O)C#CC(C)C)C2)c1 ZINC001491106010 1084074552 /nfs/dbraw/zinc/07/45/52/1084074552.db2.gz YPUVVBYDHGDNAA-QGZVFWFLSA-N 0 3 313.445 2.378 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001277655002 1084082634 /nfs/dbraw/zinc/08/26/34/1084082634.db2.gz HHMVTMCRFDKZDE-MRXNPFEDSA-N 0 3 318.465 2.349 20 30 DEEDHN Cc1cc(F)c(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(F)c1 ZINC001649097516 1084111994 /nfs/dbraw/zinc/11/19/94/1084111994.db2.gz COZZBKXSBBUAQL-JKGQDXBKSA-N 0 3 319.355 2.029 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CNCc1ccns1 ZINC001277814710 1084160010 /nfs/dbraw/zinc/16/00/10/1084160010.db2.gz QZHYKZKSMDBZSL-ZIAGYGMSSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CNCc1ccns1 ZINC001277814708 1084160765 /nfs/dbraw/zinc/16/07/65/1084160765.db2.gz QZHYKZKSMDBZSL-KGLIPLIRSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1csc(CC)n1 ZINC001491235096 1084173540 /nfs/dbraw/zinc/17/35/40/1084173540.db2.gz AQWOKUUQFROSRY-CQSZACIVSA-N 0 3 307.463 2.405 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CC/C=C\CC)C[C@H]2OC)CCC1 ZINC001212393132 1084182216 /nfs/dbraw/zinc/18/22/16/1084182216.db2.gz DYIOONFJKCTBAY-TZNMXKOXSA-N 0 3 318.461 2.352 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C2(C)CCC2)CC1 ZINC001670998658 1084195020 /nfs/dbraw/zinc/19/50/20/1084195020.db2.gz GURWVXFMESHXHC-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cc(C)cc(C)c1 ZINC001280881057 1084201837 /nfs/dbraw/zinc/20/18/37/1084201837.db2.gz NPYZDRDBNJZMAW-UHFFFAOYSA-N 0 3 316.445 2.347 20 30 DEEDHN CO[C@@H]1CCN(CCOc2ccccc2/C(C)=N\OC(C)=O)C1 ZINC001234847631 1084218826 /nfs/dbraw/zinc/21/88/26/1084218826.db2.gz VCNBTCBLAWJQMT-QLENYVDCSA-N 0 3 320.389 2.073 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@H](OCC)C(C)C)C2)C1 ZINC001671038693 1084224693 /nfs/dbraw/zinc/22/46/93/1084224693.db2.gz GLYAKZOYSSEFKL-HKUYNNGSSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H](OCC)C(C)C)C2)C1 ZINC001671038697 1084224845 /nfs/dbraw/zinc/22/48/45/1084224845.db2.gz GLYAKZOYSSEFKL-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1c(C2CC2)cnn1C ZINC001272822971 1084262025 /nfs/dbraw/zinc/26/20/25/1084262025.db2.gz JLUHIMGSGJWVQY-NSHDSACASA-N 0 3 310.829 2.148 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cn(C)c3ncccc23)C1=O ZINC001272822575 1084262642 /nfs/dbraw/zinc/26/26/42/1084262642.db2.gz WLLCYBXNUQBFTJ-IBGZPJMESA-N 0 3 324.428 2.326 20 30 DEEDHN Cc1nc(C(C)C)oc1CN1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001493184380 1084268190 /nfs/dbraw/zinc/26/81/90/1084268190.db2.gz PKGDGXYMVXKAMX-GXTWGEPZSA-N 0 3 318.421 2.204 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001491455799 1084324849 /nfs/dbraw/zinc/32/48/49/1084324849.db2.gz UFYQBOANVVINSU-KBPBESRZSA-N 0 3 322.836 2.281 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001235633059 1084483400 /nfs/dbraw/zinc/48/34/00/1084483400.db2.gz MRKJOMACKHHZPX-INIZCTEOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001078025926 1084492447 /nfs/dbraw/zinc/49/24/47/1084492447.db2.gz BSEYSPWZEMYACP-KBAYOESNSA-N 0 3 316.445 2.226 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001078220148 1084596243 /nfs/dbraw/zinc/59/62/43/1084596243.db2.gz AVAFYSYFBUQOHZ-YOEHRIQHSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001078242063 1084612037 /nfs/dbraw/zinc/61/20/37/1084612037.db2.gz WSFPFZLCXGMEIQ-QZTJIDSGSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@@H](CNCc2cccnc2)C1 ZINC001078440582 1084692031 /nfs/dbraw/zinc/69/20/31/1084692031.db2.gz BYNCDLSTECXWDT-INIZCTEOSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@H](CNCc2cncs2)C1 ZINC001078441392 1084696321 /nfs/dbraw/zinc/69/63/21/1084696321.db2.gz UVKJAHBTYDBCAU-CYBMUJFWSA-N 0 3 323.462 2.062 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2cc(C)on2)C12CCC2 ZINC001078573743 1084752289 /nfs/dbraw/zinc/75/22/89/1084752289.db2.gz NJTZUCMSJSSTAE-KBPBESRZSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2n[nH]c(C)c2C)C12CCC2 ZINC001078575696 1084752423 /nfs/dbraw/zinc/75/24/23/1084752423.db2.gz KUGBGHVWIGRZTC-OLZOCXBDSA-N 0 3 322.840 2.410 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nn(C)cc2C)C12CCC2 ZINC001078625664 1084771673 /nfs/dbraw/zinc/77/16/73/1084771673.db2.gz DKGVRWAWEXYTKU-QWHCGFSZSA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2conc2C)C12CCC2 ZINC001078716588 1084842552 /nfs/dbraw/zinc/84/25/52/1084842552.db2.gz VHJKALPFWGNKNC-STQMWFEESA-N 0 3 309.797 2.366 20 30 DEEDHN C=CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)CC(C)(C)CC)C1=O ZINC001485877660 1084959800 /nfs/dbraw/zinc/95/98/00/1084959800.db2.gz OOGCPBPYTMVYSO-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)CCCc1ccsc1 ZINC001485889519 1084965323 /nfs/dbraw/zinc/96/53/23/1084965323.db2.gz ZJQSIFPRHABDSH-HNNXBMFYSA-N 0 3 322.474 2.157 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001485906095 1084971147 /nfs/dbraw/zinc/97/11/47/1084971147.db2.gz OGWGVARGPHFLCA-IRXDYDNUSA-N 0 3 316.445 2.360 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)N[C@@H](CCCC)C(N)=O)CC1 ZINC001485918791 1084984387 /nfs/dbraw/zinc/98/43/87/1084984387.db2.gz IARHXLDUQREMSW-HOCLYGCPSA-N 0 3 323.481 2.213 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)C1(c2cccc(F)c2)CC1 ZINC001485929949 1085002563 /nfs/dbraw/zinc/00/25/63/1085002563.db2.gz IQNNZVVKYNEZFW-AWEZNQCLSA-N 0 3 302.393 2.317 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)n1cnc2ccccc21 ZINC001485943394 1085009593 /nfs/dbraw/zinc/00/95/93/1085009593.db2.gz VGBVGZRYAOYZDO-LSDHHAIUSA-N 0 3 312.417 2.057 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)c1ccccc1CC(C)(C)C ZINC001486006774 1085032669 /nfs/dbraw/zinc/03/26/69/1085032669.db2.gz SDPWMKYZPQMCPS-OAHLLOKOSA-N 0 3 304.434 2.142 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC(=O)NCCCC)[C@H]1C ZINC001486077465 1085063468 /nfs/dbraw/zinc/06/34/68/1085063468.db2.gz CNHXZSYHOXVSDY-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001486114464 1085072241 /nfs/dbraw/zinc/07/22/41/1085072241.db2.gz NWJLVLLZUCZPIN-DOTOQJQBSA-N 0 3 322.412 2.088 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1Cc1ccccc1 ZINC001486163497 1085100309 /nfs/dbraw/zinc/10/03/09/1085100309.db2.gz IJZYDFKDGOMILN-ZBFHGGJFSA-N 0 3 317.458 2.412 20 30 DEEDHN CC[C@H](F)CN[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001486228613 1085136789 /nfs/dbraw/zinc/13/67/89/1085136789.db2.gz KMEHEKUPVFAGJP-JSGCOSHPSA-N 0 3 306.385 2.075 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N(C)C1CCC(NCC#N)CC1 ZINC000964015307 1085148487 /nfs/dbraw/zinc/14/84/87/1085148487.db2.gz MPJXSCGXTGGLFD-OFLPRAFFSA-N 0 3 320.481 2.132 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C1CC(OC)C1)C2 ZINC000964021289 1085151170 /nfs/dbraw/zinc/15/11/70/1085151170.db2.gz GMZUJJQMKJMEPO-UHFFFAOYSA-N 0 3 312.841 2.181 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccnnc1C)C2 ZINC000964226360 1085176282 /nfs/dbraw/zinc/17/62/82/1085176282.db2.gz NIZFKGCGQFGJDG-UHFFFAOYSA-N 0 3 320.824 2.168 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC000960294810 1085185804 /nfs/dbraw/zinc/18/58/04/1085185804.db2.gz GTEOCSCBJINYPU-TZMCWYRMSA-N 0 3 315.398 2.020 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncnc1CC ZINC000960329090 1085199609 /nfs/dbraw/zinc/19/96/09/1085199609.db2.gz JZCQENDOVNEZFP-QZTJIDSGSA-N 0 3 322.412 2.210 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1snnc1CC)C(C)C ZINC001486372251 1085243556 /nfs/dbraw/zinc/24/35/56/1085243556.db2.gz WBCNWIPENYBVLY-UHFFFAOYSA-N 0 3 310.467 2.459 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CC3CC(F)(F)C3)CC2)CC1 ZINC001486489675 1085367120 /nfs/dbraw/zinc/36/71/20/1085367120.db2.gz TZPGFAYXTXIWQJ-UHFFFAOYSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H](CCC)OCC)CC2)CC1 ZINC001486489194 1085367143 /nfs/dbraw/zinc/36/71/43/1085367143.db2.gz DFYLJWNKURORKM-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965026831 1085502035 /nfs/dbraw/zinc/50/20/35/1085502035.db2.gz AIIVQZADKYURFU-WCQYABFASA-N 0 3 308.451 2.253 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000961120788 1085593738 /nfs/dbraw/zinc/59/37/38/1085593738.db2.gz LHDKRCALDJLTLG-JKSUJKDBSA-N 0 3 318.461 2.185 20 30 DEEDHN O=C(C#CC1CC1)N1CCC([C@H]2CCCN(CCF)C2)CC1 ZINC000961366785 1085707454 /nfs/dbraw/zinc/70/74/54/1085707454.db2.gz NFPDXAONCLMZTJ-KRWDZBQOSA-N 0 3 306.425 2.320 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(F)ccc3F)C2)C1=O ZINC001272976299 1085756898 /nfs/dbraw/zinc/75/68/98/1085756898.db2.gz YBYJHOBOIPJDKI-QGZVFWFLSA-N 0 3 304.340 2.022 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000961987650 1085932874 /nfs/dbraw/zinc/93/28/74/1085932874.db2.gz KJAVHGSNUHHRNJ-IMSKVBIZSA-N 0 3 312.413 2.031 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(C(C)(C)C)n1 ZINC000962057557 1085956563 /nfs/dbraw/zinc/95/65/63/1085956563.db2.gz LAJHGJXLEXHQCS-PJXYFTJBSA-N 0 3 305.447 2.287 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(-c2ccoc2)n1 ZINC000962076671 1085963730 /nfs/dbraw/zinc/96/37/30/1085963730.db2.gz RUDGHBMUBPZECR-IMRBUKKESA-N 0 3 315.398 2.249 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@@H](O)C1 ZINC001083821775 1085989921 /nfs/dbraw/zinc/98/99/21/1085989921.db2.gz ARKOBRCKZDDUOU-NXHRZFHOSA-N 0 3 316.445 2.226 20 30 DEEDHN C=C(C)CN1c2ccccc2[C@]2(CCN(Cc3c[nH]cn3)C2)C1=O ZINC001273024504 1086004774 /nfs/dbraw/zinc/00/47/74/1086004774.db2.gz YLCFMOQJAOHTNX-LJQANCHMSA-N 0 3 322.412 2.476 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3cc(C)n(C)n3)C2)C1 ZINC000962284234 1086050860 /nfs/dbraw/zinc/05/08/60/1086050860.db2.gz YEBJWUYOPLNCEP-UHFFFAOYSA-N 0 3 316.449 2.069 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C2CC2)s1 ZINC000962341872 1086071489 /nfs/dbraw/zinc/07/14/89/1086071489.db2.gz WFTNQKIAZMJOPY-IMRBUKKESA-N 0 3 303.431 2.257 20 30 DEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108078370 1086145199 /nfs/dbraw/zinc/14/51/99/1086145199.db2.gz OUDNVELHUNSURC-DYVFJYSZSA-N 0 3 323.412 2.329 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000962657370 1086195274 /nfs/dbraw/zinc/19/52/74/1086195274.db2.gz XQQSIVOVLNOKOK-CNXAATOLSA-N 0 3 306.356 2.301 20 30 DEEDHN CC(C)(CC(F)F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001129162840 1086611277 /nfs/dbraw/zinc/61/12/77/1086611277.db2.gz LLEFWSFFJZIIRJ-UHFFFAOYSA-N 0 3 309.360 2.445 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)CC)[C@@H](n2ccnn2)C1 ZINC001129215011 1086645655 /nfs/dbraw/zinc/64/56/55/1086645655.db2.gz SLVKYXGBAUFSEI-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001487379926 1087217222 /nfs/dbraw/zinc/21/72/22/1087217222.db2.gz QSSUEMMQBWJNCP-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1cccc(F)c1 ZINC001079170883 1087731976 /nfs/dbraw/zinc/73/19/76/1087731976.db2.gz GXFJVKFVNBDYKI-DLBZAZTESA-N 0 3 312.344 2.250 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1c1cccc(F)c1 ZINC001079172741 1087732924 /nfs/dbraw/zinc/73/29/24/1087732924.db2.gz PZNPVZJJVIGESV-UHOFOFEASA-N 0 3 320.433 2.094 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079216716 1087777120 /nfs/dbraw/zinc/77/71/20/1087777120.db2.gz MMTGTWRPKFNATM-DLBZAZTESA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001079882991 1088471096 /nfs/dbraw/zinc/47/10/96/1088471096.db2.gz UJHUHMWUUGYPEP-DJIMGWMZSA-N 0 3 313.445 2.233 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001079995646 1088539921 /nfs/dbraw/zinc/53/99/21/1088539921.db2.gz BIOQERZUMHPDIV-NXEZZACHSA-N 0 3 317.311 2.320 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC001080032909 1088570764 /nfs/dbraw/zinc/57/07/64/1088570764.db2.gz ZBAWKSWFLPARML-RHSMWYFYSA-N 0 3 302.418 2.459 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccncc2OC(C)C)C1 ZINC001080188561 1088667336 /nfs/dbraw/zinc/66/73/36/1088667336.db2.gz LLEKAPLWUZDBIN-GDBMZVCRSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)ccnc2OCC)C1 ZINC001080189621 1088669932 /nfs/dbraw/zinc/66/99/32/1088669932.db2.gz BXBLSARRUHPOMK-HUUCEWRRSA-N 0 3 317.433 2.415 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001080222460 1088713310 /nfs/dbraw/zinc/71/33/10/1088713310.db2.gz PQUCOJBATCLZAN-TZMCWYRMSA-N 0 3 303.406 2.030 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(CC)ncnc2CC)C1 ZINC001080463522 1088956047 /nfs/dbraw/zinc/95/60/47/1088956047.db2.gz XDEFVJDVFWSCDS-CZUORRHYSA-N 0 3 316.449 2.228 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2csc(Cl)c2)C1 ZINC000958458014 1088999723 /nfs/dbraw/zinc/99/97/23/1088999723.db2.gz GWFOVJGSEOMJRD-RYUDHWBXSA-N 0 3 314.838 2.000 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)C23CCC(CC2)C3(C)C)[C@H](O)C1 ZINC000958462607 1089001426 /nfs/dbraw/zinc/00/14/26/1089001426.db2.gz DIFQNVOSGXMXJY-XZZQLLPFSA-N 0 3 320.477 2.188 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2-n2cccn2)C1 ZINC001080511025 1089010442 /nfs/dbraw/zinc/01/04/42/1089010442.db2.gz DJXQJIIOGPPCCX-NVXWUHKLSA-N 0 3 324.428 2.499 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001080528434 1089042505 /nfs/dbraw/zinc/04/25/05/1089042505.db2.gz PGMRQVFNYJCKLD-CRAIPNDOSA-N 0 3 311.429 2.299 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1c[nH]c2ncccc12 ZINC001273202443 1089097588 /nfs/dbraw/zinc/09/75/88/1089097588.db2.gz FUPXQHBGYMDFOY-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001080736587 1089162149 /nfs/dbraw/zinc/16/21/49/1089162149.db2.gz QXGBQYDCLUBDNT-DGCLKSJQSA-N 0 3 324.856 2.262 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001080770180 1089182759 /nfs/dbraw/zinc/18/27/59/1089182759.db2.gz YESRMFRAWBMLMD-NVXWUHKLSA-N 0 3 309.413 2.321 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001080821099 1089197138 /nfs/dbraw/zinc/19/71/38/1089197138.db2.gz KMFLGYXPEQHJJO-IUODEOHRSA-N 0 3 311.385 2.210 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001276358310 1089238344 /nfs/dbraw/zinc/23/83/44/1089238344.db2.gz BEYIFJMFTFGUFP-OAHLLOKOSA-N 0 3 302.418 2.134 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001080970382 1089260246 /nfs/dbraw/zinc/26/02/46/1089260246.db2.gz KMHYOLPLYHAQCY-CKEIUWERSA-N 0 3 302.393 2.389 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001080956806 1089266762 /nfs/dbraw/zinc/26/67/62/1089266762.db2.gz GMOKSINPIJSUMC-BXUZGUMPSA-N 0 3 324.856 2.166 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001080994907 1089280248 /nfs/dbraw/zinc/28/02/48/1089280248.db2.gz QCQREIJJAAUKES-CXAGYDPISA-N 0 3 312.417 2.118 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1c1ccccc1 ZINC001081101154 1089353163 /nfs/dbraw/zinc/35/31/63/1089353163.db2.gz NIHGLWZXFIPYGC-RBUKOAKNSA-N 0 3 319.408 2.221 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc3occc3c2)[C@H](OC)C1 ZINC001081715076 1089447549 /nfs/dbraw/zinc/44/75/49/1089447549.db2.gz XTYPZQVKCDTCHF-NVXWUHKLSA-N 0 3 314.385 2.438 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@H](OC)C1 ZINC001082174757 1089747719 /nfs/dbraw/zinc/74/77/19/1089747719.db2.gz WHRUUJVZIQXGLB-ZIAGYGMSSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2F)[C@H](OC)C1 ZINC001082252895 1089807147 /nfs/dbraw/zinc/80/71/47/1089807147.db2.gz NGTRCTQPFIIVJD-IAOVAPTHSA-N 0 3 320.408 2.321 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cnoc2C(C)C)[C@H](OC)C1 ZINC001082293433 1089818878 /nfs/dbraw/zinc/81/88/78/1089818878.db2.gz SBGFVVQSKKCQOR-HUUCEWRRSA-N 0 3 321.421 2.193 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)[C@H](OC)C1 ZINC001082302223 1089834778 /nfs/dbraw/zinc/83/47/78/1089834778.db2.gz DYNIUTLVMDBTJU-ARFHVFGLSA-N 0 3 306.450 2.348 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082450534 1089947774 /nfs/dbraw/zinc/94/77/74/1089947774.db2.gz XGNIZBLVAVWGCQ-FIXISWKDSA-N 0 3 307.344 2.061 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001082451155 1089950408 /nfs/dbraw/zinc/95/04/08/1089950408.db2.gz RDPXGRKEROLRNH-HOSYDEDBSA-N 0 3 311.838 2.498 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC001082994007 1090135937 /nfs/dbraw/zinc/13/59/37/1090135937.db2.gz VLEYJCKGHLNXOS-LSDHHAIUSA-N 0 3 306.431 2.240 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccccc2CC)C1 ZINC001098896966 1090157908 /nfs/dbraw/zinc/15/79/08/1090157908.db2.gz BKMOKZPAAGYOPT-ICSRJNTNSA-N 0 3 310.441 2.395 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CCc1cscn1 ZINC001273212562 1090180801 /nfs/dbraw/zinc/18/08/01/1090180801.db2.gz ODVRRYWYAPXNOK-LLVKDONJSA-N 0 3 301.843 2.313 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]2C1 ZINC001084354444 1090274562 /nfs/dbraw/zinc/27/45/62/1090274562.db2.gz FBBOPKKTZRWPPW-XMTFNYHQSA-N 0 3 311.429 2.294 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)nc3C3CC3)[C@@H]2C1 ZINC001084552936 1090327504 /nfs/dbraw/zinc/32/75/04/1090327504.db2.gz VLXDKDYQLSZRJN-SJLPKXTDSA-N 0 3 323.440 2.437 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001410211520 1090427816 /nfs/dbraw/zinc/42/78/16/1090427816.db2.gz XSHVHUWPQZCSAP-HDJSIYSDSA-N 0 3 324.856 2.452 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3C)[C@@H]2C1 ZINC001084787180 1090445784 /nfs/dbraw/zinc/44/57/84/1090445784.db2.gz CFFRJEAMCMCWNG-RHSMWYFYSA-N 0 3 300.377 2.304 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCOC(C)=O ZINC001119610296 1090449090 /nfs/dbraw/zinc/44/90/90/1090449090.db2.gz YUUJTWURQUOIJD-UHFFFAOYSA-N 0 3 324.450 2.105 20 30 DEEDHN CC1(C)CC[C@@H](CNC(=O)CSCC#N)N(CCCF)C1 ZINC001098921704 1090468356 /nfs/dbraw/zinc/46/83/56/1090468356.db2.gz LGCUQHUCRNBNIZ-ZDUSSCGKSA-N 0 3 315.458 2.210 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C[C@@H]21 ZINC001084970431 1090555070 /nfs/dbraw/zinc/55/50/70/1090555070.db2.gz FVENASXTUSIOOU-KFWWJZLASA-N 0 3 313.873 2.002 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nn1C ZINC001085144941 1090673186 /nfs/dbraw/zinc/67/31/86/1090673186.db2.gz VXNIYWSJWGIVIB-CHWSQXEVSA-N 0 3 310.829 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)cc1C ZINC001085195372 1090786800 /nfs/dbraw/zinc/78/68/00/1090786800.db2.gz VIYCTVSHKBEKFI-CHWSQXEVSA-N 0 3 310.829 2.112 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc3nccnc23)C1=O ZINC001273314237 1091014892 /nfs/dbraw/zinc/01/48/92/1091014892.db2.gz WBWAIXNFWLLYOU-IBGZPJMESA-N 0 3 322.412 2.383 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3nccn3c1)CC2 ZINC001273402540 1091203173 /nfs/dbraw/zinc/20/31/73/1091203173.db2.gz WVDLMKMCIBFBBG-INIZCTEOSA-N 0 3 324.428 2.239 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)C2(CF)CCC2)cc1 ZINC001274379411 1091215178 /nfs/dbraw/zinc/21/51/78/1091215178.db2.gz RLFMPCOMCROMGE-UPHRSURJSA-N 0 3 315.392 2.460 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1cc(C)oc1C(F)(F)F ZINC001274403077 1091227965 /nfs/dbraw/zinc/22/79/65/1091227965.db2.gz CCJVFULAWRGNDF-PLNGDYQASA-N 0 3 300.280 2.116 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc2c1OCC2 ZINC001274421251 1091234532 /nfs/dbraw/zinc/23/45/32/1091234532.db2.gz URQWAPYEVIADCV-IAGOWNOFSA-N 0 3 312.413 2.373 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)Oc2cccnc2)C(C)(C)C1 ZINC001274454365 1091254121 /nfs/dbraw/zinc/25/41/21/1091254121.db2.gz NYFLGTMXOCJHSH-GOEBONIOSA-N 0 3 317.433 2.252 20 30 DEEDHN C#CCCCCC(=O)N1CCN(C2CN(C[C@H](C)CC)C2)CC1 ZINC001274467416 1091259240 /nfs/dbraw/zinc/25/92/40/1091259240.db2.gz BNGBTGNBKKVADJ-QGZVFWFLSA-N 0 3 319.493 2.055 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc(C)nc1C)CC2 ZINC001274478627 1091262730 /nfs/dbraw/zinc/26/27/30/1091262730.db2.gz ZZQRPEJYAFWPDU-QGZVFWFLSA-N 0 3 311.429 2.050 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2nccs2)C[C@@H]1C ZINC001274661951 1091358242 /nfs/dbraw/zinc/35/82/42/1091358242.db2.gz DJKFIWPHSPSUIU-KBPBESRZSA-N 0 3 305.447 2.068 20 30 DEEDHN C/C=C(/C)C(=O)N[C@H](C)CNCc1cc(C#N)ccc1OC ZINC001274721519 1091385777 /nfs/dbraw/zinc/38/57/77/1091385777.db2.gz HXDJAMOXQODTEE-QWGHSUKYSA-N 0 3 301.390 2.127 20 30 DEEDHN CS[C@@H](C)CC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274727248 1091389184 /nfs/dbraw/zinc/38/91/84/1091389184.db2.gz UJUBEHMBEPVNOD-CABCVRRESA-N 0 3 304.459 2.274 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)COC(C)(C)C ZINC001274726903 1091389535 /nfs/dbraw/zinc/38/95/35/1091389535.db2.gz KWKKQOOAWVFIAC-CQSZACIVSA-N 0 3 320.408 2.087 20 30 DEEDHN C#Cc1cccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1 ZINC001276096578 1091547832 /nfs/dbraw/zinc/54/78/32/1091547832.db2.gz LQEOPMMGVYKSRP-BGYRXZFFSA-N 0 3 310.441 2.496 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H]1CN(C)CCOCC(C)C ZINC001275108045 1091559966 /nfs/dbraw/zinc/55/99/66/1091559966.db2.gz ICVGSWUBTZCLGW-KRWDZBQOSA-N 0 3 308.466 2.241 20 30 DEEDHN C=CCN1CC[C@H](N(C)CC2([C@H]3CCCCO3)CCC2)C1=O ZINC001307725139 1091651239 /nfs/dbraw/zinc/65/12/39/1091651239.db2.gz LZSJCWCQTGBIEI-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN CCCOCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001275365049 1091691336 /nfs/dbraw/zinc/69/13/36/1091691336.db2.gz HWXLRSWLYJZSPJ-HUUCEWRRSA-N 0 3 320.408 2.087 20 30 DEEDHN 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/nfs/dbraw/zinc/04/61/59/1092046159.db2.gz KAJXUAZVLMFJRF-UHFFFAOYSA-N 0 3 319.453 2.032 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC1(C)C)CCO2 ZINC000949164644 1092060107 /nfs/dbraw/zinc/06/01/07/1092060107.db2.gz QUVNGMIEYCDKFC-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCOC3(CCN(CC#CC)CC3)C2)C1 ZINC000949182123 1092063935 /nfs/dbraw/zinc/06/39/35/1092063935.db2.gz DJLGGDCZCUIPGI-UHFFFAOYSA-N 0 3 316.445 2.059 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000949358537 1092121590 /nfs/dbraw/zinc/12/15/90/1092121590.db2.gz ZMNPTVOULWMDHY-UHFFFAOYSA-N 0 3 316.445 2.059 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)CCOCC(F)(F)F ZINC001275897346 1092280679 /nfs/dbraw/zinc/28/06/79/1092280679.db2.gz LWISUOZCEORHBT-LLVKDONJSA-N 0 3 310.360 2.214 20 30 DEEDHN C#CCCCN1CC2(CCN2Cc2ccc(NC(C)=O)cc2)C1 ZINC001275976044 1092421004 /nfs/dbraw/zinc/42/10/04/1092421004.db2.gz XSBPOBMGYAVANX-UHFFFAOYSA-N 0 3 311.429 2.319 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccn(CC(C)C)n1 ZINC001276025531 1092528549 /nfs/dbraw/zinc/52/85/49/1092528549.db2.gz MENVFZKFKVYKGN-UHFFFAOYSA-N 0 3 312.845 2.343 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001488639785 1092651414 /nfs/dbraw/zinc/65/14/14/1092651414.db2.gz ARAUIHDPGRITEJ-KRWDZBQOSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001488674555 1092677406 /nfs/dbraw/zinc/67/74/06/1092677406.db2.gz HSHWLSBRABDTRK-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001488676894 1092678885 /nfs/dbraw/zinc/67/88/85/1092678885.db2.gz OUBGOARNYQUHDF-HUUCEWRRSA-N 0 3 317.433 2.184 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)OC ZINC001488695217 1092692941 /nfs/dbraw/zinc/69/29/41/1092692941.db2.gz XXMJEUJSKCIPGJ-ROUUACIJSA-N 0 3 316.445 2.353 20 30 DEEDHN CCc1nocc1CN[C@@H]1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001488909838 1092812366 /nfs/dbraw/zinc/81/23/66/1092812366.db2.gz RWFBSWJOBNTBQN-GOEBONIOSA-N 0 3 317.433 2.271 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2cc(F)cc(F)c2)[C@H]1C ZINC001489315126 1093014783 /nfs/dbraw/zinc/01/47/83/1093014783.db2.gz RQULPQRYOWSANS-ABAIWWIYSA-N 0 3 310.344 2.109 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1n[nH]c(C)n1 ZINC001490305236 1093286876 /nfs/dbraw/zinc/28/68/76/1093286876.db2.gz FBLCERMJWXQCQB-HIFRSBDPSA-N 0 3 319.453 2.329 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)CCC(F)(F)F ZINC001490346435 1093295886 /nfs/dbraw/zinc/29/58/86/1093295886.db2.gz CIJBDBLNIGDOBL-OLZOCXBDSA-N 0 3 322.371 2.358 20 30 DEEDHN C#CCN(CCCNC(=O)c1oc(C(C)C)nc1C)C1CC1 ZINC001490388653 1093340679 /nfs/dbraw/zinc/34/06/79/1093340679.db2.gz ZVQFDFLBDFVGKS-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN CC(C)=CCN1CCN(CCCNC(=O)C#CC(C)(C)C)CC1 ZINC001490465691 1093385026 /nfs/dbraw/zinc/38/50/26/1093385026.db2.gz AEJBVBPVTYGTBT-UHFFFAOYSA-N 0 3 319.493 2.126 20 30 DEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3n1CCC3)CC2 ZINC001273961370 1093564134 /nfs/dbraw/zinc/56/41/34/1093564134.db2.gz APXGZYCGLKAKBL-KRWDZBQOSA-N 0 3 313.445 2.339 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1ccc(C(F)(F)F)cc1F ZINC001252486975 1093565967 /nfs/dbraw/zinc/56/59/67/1093565967.db2.gz KYOYQASXWIOXIY-LBPRGKRZSA-N 0 3 307.287 2.498 20 30 DEEDHN N#CCCCN1CC[C@@H]2[C@H]1CCC(=O)N2CCCn1cccc1 ZINC001274039331 1093777404 /nfs/dbraw/zinc/77/74/04/1093777404.db2.gz BFVXVBDMPSXDBA-IAGOWNOFSA-N 0 3 314.433 2.247 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)CCOc1cc(C)cc(C)c1 ZINC001274076514 1093789798 /nfs/dbraw/zinc/78/97/98/1093789798.db2.gz QBMWUWJVUNXUOY-VOTSOKGWSA-N 0 3 314.429 2.358 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1occc1[S-])CC2 ZINC001274178324 1093837641 /nfs/dbraw/zinc/83/76/41/1093837641.db2.gz ZCXROBCALUFOIA-GFCCVEGCSA-N 0 3 306.431 2.473 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](NCc2cc(C)ns2)[C@@H](C)C1 ZINC001274188767 1093841153 /nfs/dbraw/zinc/84/11/53/1093841153.db2.gz KETOZIACPLXMEB-WFASDCNBSA-N 0 3 305.447 2.192 20 30 DEEDHN CCn1c(CCCCC#N)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001352420380 1151736134 /nfs/dbraw/zinc/73/61/34/1151736134.db2.gz LGMNSOLJGLAEFQ-GJZGRUSLSA-N 0 3 318.469 2.453 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001720092827 1138203399 /nfs/dbraw/zinc/20/33/99/1138203399.db2.gz UIOIKDJGAYKJDD-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)[C@H]1C ZINC001691719351 1138211004 /nfs/dbraw/zinc/21/10/04/1138211004.db2.gz CVPDOELDOSZJSR-UPJWGTAASA-N 0 3 322.371 2.357 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001278001570 1138401243 /nfs/dbraw/zinc/40/12/43/1138401243.db2.gz BFKYHSQYYIXDHH-MRXNPFEDSA-N 0 3 302.418 2.003 20 30 DEEDHN N#Cc1cc(CN2CCC3(CC2)OC(=O)c2ccncc23)ccn1 ZINC001237469436 1138646287 /nfs/dbraw/zinc/64/62/87/1138646287.db2.gz VCRPZJFSRDBONM-UHFFFAOYSA-N 0 3 320.352 2.010 20 30 DEEDHN C[Si](C)(C)C#Cc1cccc([N-]S(=O)(=O)[C@@H]2CC[NH2+]C2)c1 ZINC001237905370 1138809675 /nfs/dbraw/zinc/80/96/75/1138809675.db2.gz LWRPWHWPSGOJQN-OAHLLOKOSA-N 0 3 322.506 2.019 20 30 DEEDHN Cc1cc(CN[C@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C)sn1 ZINC001278251403 1138857548 /nfs/dbraw/zinc/85/75/48/1138857548.db2.gz ODPUCXNOQLFXDR-HIFRSBDPSA-N 0 3 305.447 2.190 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001292735655 1138863174 /nfs/dbraw/zinc/86/31/74/1138863174.db2.gz DNYPQWXFEXCHKH-YJBOKZPZSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1cnc(-c2ccc(CN3CCN(C)CC3)cc2)c(C#N)c1 ZINC001240389725 1139355465 /nfs/dbraw/zinc/35/54/65/1139355465.db2.gz JJIFFLAGDNQLSA-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC001278337380 1139858055 /nfs/dbraw/zinc/85/80/55/1139858055.db2.gz VHVXRCHGEFHEIV-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001297373301 1139864335 /nfs/dbraw/zinc/86/43/35/1139864335.db2.gz QYAXRFKUANSPHQ-UHFFFAOYSA-N 0 3 305.378 2.104 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(Cl)nn(C)c1Cl ZINC001297373499 1139864360 /nfs/dbraw/zinc/86/43/60/1139864360.db2.gz WBJRUVSBRODYLU-UHFFFAOYSA-N 0 3 319.236 2.307 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001297926773 1139899095 /nfs/dbraw/zinc/89/90/95/1139899095.db2.gz ZPXBGOHMCBCUIP-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CN(Cc2cnc[nH]2)C3)c1 ZINC001278346305 1139899536 /nfs/dbraw/zinc/89/95/36/1139899536.db2.gz BRVTYYWGBKMTTD-RDTXWAMCSA-N 0 3 321.384 2.050 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@H]1C ZINC001278377895 1140318872 /nfs/dbraw/zinc/31/88/72/1140318872.db2.gz JGIAANCZOVETLO-UKRRQHHQSA-N 0 3 304.438 2.101 20 30 DEEDHN CC[C@@H](CNC(=O)C#CC1CC1)NCc1ccnc(Cl)c1 ZINC001318524998 1140358701 /nfs/dbraw/zinc/35/87/01/1140358701.db2.gz RBBCLHZPAQVHCC-AWEZNQCLSA-N 0 3 305.809 2.133 20 30 DEEDHN C=CCCC(=O)NC1(CNCC(=O)NC2CCCC2)CCCC1 ZINC001318627196 1140375062 /nfs/dbraw/zinc/37/50/62/1140375062.db2.gz QMPRIAJFAYENAE-UHFFFAOYSA-N 0 3 321.465 2.030 20 30 DEEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)C#CC1CC1)C1CC1 ZINC001318685924 1140386431 /nfs/dbraw/zinc/38/64/31/1140386431.db2.gz KJOXEAGWBLWTQE-NRFANRHFSA-N 0 3 320.436 2.326 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001318845835 1140435366 /nfs/dbraw/zinc/43/53/66/1140435366.db2.gz ONOIUYNJCZRNOC-GOEBONIOSA-N 0 3 314.857 2.384 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001278389709 1140472698 /nfs/dbraw/zinc/47/26/98/1140472698.db2.gz AHNVFQCAMRDLGB-CHWSQXEVSA-N 0 3 322.840 2.333 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)CO[C@H](C)CC)cc1 ZINC001318991658 1140487838 /nfs/dbraw/zinc/48/78/38/1140487838.db2.gz XRYQFDJMQGOIHT-OAHLLOKOSA-N 0 3 302.418 2.231 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cnoc2C(C)C)cc1 ZINC001319006912 1140489820 /nfs/dbraw/zinc/48/98/20/1140489820.db2.gz RWKNRGZSARWTIQ-UHFFFAOYSA-N 0 3 311.385 2.451 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001278403143 1140590582 /nfs/dbraw/zinc/59/05/82/1140590582.db2.gz GXQJOOMGRUEQEN-KBXCAEBGSA-N 0 3 322.412 2.293 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1c(C)nnn1CC ZINC001319525162 1140608648 /nfs/dbraw/zinc/60/86/48/1140608648.db2.gz LMPBZRCKUJXSPW-GUYCJALGSA-N 0 3 321.469 2.145 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2[nH]c(C)cc2C)C1 ZINC001278404552 1140621327 /nfs/dbraw/zinc/62/13/27/1140621327.db2.gz HHKSPFLHXYUTPE-KRWDZBQOSA-N 0 3 305.422 2.028 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)C1(C)CCCC1 ZINC001319619539 1140626080 /nfs/dbraw/zinc/62/60/80/1140626080.db2.gz AUJWCZAIIOPECR-INIZCTEOSA-N 0 3 308.466 2.337 20 30 DEEDHN CCC1(C(=O)N2CC[C@H]3[C@H](CCN3CC#CCOC)C2)CCC1 ZINC001320110326 1140823103 /nfs/dbraw/zinc/82/31/03/1140823103.db2.gz FURFPZXDKJPEOE-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ccn(CC)n1 ZINC001320133853 1140826839 /nfs/dbraw/zinc/82/68/39/1140826839.db2.gz KGLHUOOFDWASIW-NVXWUHKLSA-N 0 3 316.449 2.081 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](O)CNCc1sccc1Cl ZINC001320226972 1140839501 /nfs/dbraw/zinc/83/95/01/1140839501.db2.gz IZKRQQHBISMJGX-NSHDSACASA-N 0 3 316.854 2.325 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ncoc1-c1ccccc1 ZINC001320753644 1140911838 /nfs/dbraw/zinc/91/18/38/1140911838.db2.gz WWRCYQFOMXQXLB-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C(C)(C)C1CCCC1 ZINC001320756385 1140913066 /nfs/dbraw/zinc/91/30/66/1140913066.db2.gz WGYOTGDYWKMBAG-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C#Cc1cncc(C(=O)N(CC)CCNCc2cccnc2C)c1 ZINC001320837999 1140945454 /nfs/dbraw/zinc/94/54/54/1140945454.db2.gz PDGHUDFAKFYQJK-UHFFFAOYSA-N 0 3 322.412 2.018 20 30 DEEDHN CC#CCNCCN(CC)C(=O)CCOc1ccccc1C ZINC001320922226 1140993570 /nfs/dbraw/zinc/99/35/70/1140993570.db2.gz RZOBOTQVYBRQJR-UHFFFAOYSA-N 0 3 302.418 2.225 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H](C)C(F)(F)F)CCC[C@H]12 ZINC001278459785 1141023625 /nfs/dbraw/zinc/02/36/25/1141023625.db2.gz OGOQAHUPQUAOBJ-MBNYWOFBSA-N 0 3 302.340 2.321 20 30 DEEDHN C[C@H](CN(C)CCc1c(F)cccc1F)NC(=O)C#CC1CC1 ZINC001322156545 1141417429 /nfs/dbraw/zinc/41/74/29/1141417429.db2.gz KZPHOKXXULRVOV-CYBMUJFWSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC001322158585 1141418203 /nfs/dbraw/zinc/41/82/03/1141418203.db2.gz VNIOKQZTQXQMHN-UONOGXRCSA-N 0 3 322.836 2.315 20 30 DEEDHN CCO[C@H](C)C(=O)N(C)CCCNCc1cc(C#N)ccc1F ZINC001322421070 1141575135 /nfs/dbraw/zinc/57/51/35/1141575135.db2.gz WUKCDJNBPCHVOE-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCN1CC[C@H](N(C)[C@H](C)Cc2ccc(OC)cc2)C1=O ZINC001322590919 1141637987 /nfs/dbraw/zinc/63/79/87/1141637987.db2.gz XGWNLERAULNTRQ-PBHICJAKSA-N 0 3 302.418 2.345 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1noc2ccc(F)cc12 ZINC001323319855 1141841302 /nfs/dbraw/zinc/84/13/02/1141841302.db2.gz SQDIHEOQUJHVDR-CYBMUJFWSA-N 0 3 317.364 2.276 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001323434655 1141853336 /nfs/dbraw/zinc/85/33/36/1141853336.db2.gz CKGZHNBCXRXEOA-INIZCTEOSA-N 0 3 322.836 2.406 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2(NCc3ccc(C)cc3)CC2)c1 ZINC001323541523 1141863421 /nfs/dbraw/zinc/86/34/21/1141863421.db2.gz UMTXLUCFRCPAHC-UHFFFAOYSA-N 0 3 319.408 2.424 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cc(Cl)cnc3OC)no2)CCCN1 ZINC001249351954 1141877357 /nfs/dbraw/zinc/87/73/57/1141877357.db2.gz QUTXQCPNLWSLQB-OAHLLOKOSA-N 0 3 318.764 2.396 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](C)CC(F)(F)F)C2)C1 ZINC001323860165 1141894125 /nfs/dbraw/zinc/89/41/25/1141894125.db2.gz OFEJXJLQPBDSHJ-OCCSQVGLSA-N 0 3 302.340 2.133 20 30 DEEDHN CCCCCCCNC(=S)N1CCO[C@H](CN(C)C)C1 ZINC001249630550 1141978992 /nfs/dbraw/zinc/97/89/92/1141978992.db2.gz DTZRSBGRLFXWCZ-CQSZACIVSA-N 0 3 301.500 2.094 20 30 DEEDHN CCCCCCCNC(=S)N1CCOC[C@@H]1CN(C)C ZINC001249638797 1141982870 /nfs/dbraw/zinc/98/28/70/1141982870.db2.gz GRPCTVBZWJUEJU-AWEZNQCLSA-N 0 3 301.500 2.094 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2nccn2C)C[C@@H]1C ZINC001324069051 1141998920 /nfs/dbraw/zinc/99/89/20/1141998920.db2.gz XSDCSEBYIGKBMO-LSDHHAIUSA-N 0 3 318.465 2.492 20 30 DEEDHN C#CCN(C(=O)c1ccns1)C1CCN(CC(=C)C)CC1 ZINC001324397955 1142070524 /nfs/dbraw/zinc/07/05/24/1142070524.db2.gz WPMFXIZVXKFLLG-UHFFFAOYSA-N 0 3 303.431 2.259 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)C[C@H](CC)C(C)C)CC2)C1 ZINC001324561904 1142107070 /nfs/dbraw/zinc/10/70/70/1142107070.db2.gz YUZYXKKARDDQRC-ZWKOTPCHSA-N 0 3 321.509 2.463 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001278558783 1142119126 /nfs/dbraw/zinc/11/91/26/1142119126.db2.gz LNGNSTKFQJSVHM-VQIMIIECSA-N 0 3 321.424 2.346 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001324615216 1142152594 /nfs/dbraw/zinc/15/25/94/1142152594.db2.gz NYTQITPNFKRCLZ-QFBILLFUSA-N 0 3 314.429 2.114 20 30 DEEDHN COc1nc(OC)c(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001250330018 1142153367 /nfs/dbraw/zinc/15/33/67/1142153367.db2.gz JQDYCDXDMIQZLH-ZDUSSCGKSA-N 0 3 320.414 2.181 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC001278626352 1142372890 /nfs/dbraw/zinc/37/28/90/1142372890.db2.gz AHYMGVNMBBKWJN-DLBZAZTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCOC[C@@H](O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC001251851994 1142525210 /nfs/dbraw/zinc/52/52/10/1142525210.db2.gz XSVCBNQWWKLKJH-AWEZNQCLSA-N 0 3 301.308 2.148 20 30 DEEDHN O[C@H](CNCC#C[C@H]1CCCCO1)Cc1cccc(Cl)c1 ZINC001336846724 1142595255 /nfs/dbraw/zinc/59/52/55/1142595255.db2.gz XWCKQRZPRLPTGE-DLBZAZTESA-N 0 3 307.821 2.406 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC001278666572 1142715978 /nfs/dbraw/zinc/71/59/78/1142715978.db2.gz DKXPQGOCFUXIDV-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001337243604 1142716145 /nfs/dbraw/zinc/71/61/45/1142716145.db2.gz ASLUHESMMVKFMF-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@](C)(O)CN1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001252552223 1142760040 /nfs/dbraw/zinc/76/00/40/1142760040.db2.gz IFHNENNNAUBIMH-RHSMWYFYSA-N 0 3 306.454 2.037 20 30 DEEDHN C=C[C@](C)(O)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001252558957 1142765348 /nfs/dbraw/zinc/76/53/48/1142765348.db2.gz POGQAVQQSOUKOS-KRWDZBQOSA-N 0 3 322.836 2.425 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001252603033 1142784339 /nfs/dbraw/zinc/78/43/39/1142784339.db2.gz JTVYMDSPWCDDRO-MRXNPFEDSA-N 0 3 300.406 2.012 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001278682176 1142815084 /nfs/dbraw/zinc/81/50/84/1142815084.db2.gz TXKYTKBOPCDSKN-GOSISDBHSA-N 0 3 301.434 2.487 20 30 DEEDHN COc1ccccc1OC[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC001252884850 1142826948 /nfs/dbraw/zinc/82/69/48/1142826948.db2.gz NNZFZWCKLSHSPM-GJZGRUSLSA-N 0 3 304.390 2.061 20 30 DEEDHN C#CC1(NC[C@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001253432596 1142871164 /nfs/dbraw/zinc/87/11/64/1142871164.db2.gz BJVCZKYYDDRLBJ-INIZCTEOSA-N 0 3 315.413 2.257 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC001340075109 1143256871 /nfs/dbraw/zinc/25/68/71/1143256871.db2.gz MEKOWKSQYUHWTG-YOEHRIQHSA-N 0 3 317.433 2.074 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2CCCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001254673686 1143309036 /nfs/dbraw/zinc/30/90/36/1143309036.db2.gz MZMIUTVOUKJDJT-ZWKOTPCHSA-N 0 3 311.429 2.456 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](N3CC(CC#N)C3)C[C@@H]2C1 ZINC001254899440 1143355172 /nfs/dbraw/zinc/35/51/72/1143355172.db2.gz HWGVQGFRTVYJPL-QDMKHBRRSA-N 0 3 305.422 2.477 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC001340552907 1143369598 /nfs/dbraw/zinc/36/95/98/1143369598.db2.gz GQRHZSQCUVQYGX-IUODEOHRSA-N 0 3 315.417 2.432 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](Cc2nccs2)C1 ZINC001340994650 1143518027 /nfs/dbraw/zinc/51/80/27/1143518027.db2.gz JRXCIXYKOUYXRJ-UONOGXRCSA-N 0 3 320.462 2.335 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCC(OC)CC1 ZINC001255458528 1143643410 /nfs/dbraw/zinc/64/34/10/1143643410.db2.gz QEUBISAVCYRFPS-DQPZFDDXSA-N 0 3 319.449 2.480 20 30 DEEDHN C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001342116607 1143792259 /nfs/dbraw/zinc/79/22/59/1143792259.db2.gz QWYKUOOHTDTQIL-QLFBSQMISA-N 0 3 303.454 2.364 20 30 DEEDHN C=CCn1c(-c2cocn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001342118970 1143793718 /nfs/dbraw/zinc/79/37/18/1143793718.db2.gz HDWIULSXTFJBTA-CHWSQXEVSA-N 0 3 316.409 2.038 20 30 DEEDHN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001342287336 1143809504 /nfs/dbraw/zinc/80/95/04/1143809504.db2.gz MOLIUBWUBCWCSK-AWEZNQCLSA-N 0 3 315.417 2.231 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC001342356247 1143812790 /nfs/dbraw/zinc/81/27/90/1143812790.db2.gz YQWCKUOOXLLUCW-CYBMUJFWSA-N 0 3 305.422 2.385 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001342749148 1143834676 /nfs/dbraw/zinc/83/46/76/1143834676.db2.gz SGXCZLMGUPTELO-INIZCTEOSA-N 0 3 323.412 2.100 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CNCc1n[nH]c(C)n1)C(C)(C)C ZINC001279001802 1143894083 /nfs/dbraw/zinc/89/40/83/1143894083.db2.gz DYPWDUAQWGWPQN-GUYCJALGSA-N 0 3 321.469 2.336 20 30 DEEDHN C=C(C)CCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001299542609 1144052582 /nfs/dbraw/zinc/05/25/82/1144052582.db2.gz FDTZDHIDGLLNOV-AEFFLSMTSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(C)[nH]c2ccc(OC)cc21 ZINC001261251088 1144228259 /nfs/dbraw/zinc/22/82/59/1144228259.db2.gz KXZZBBNGOVRTTN-UHFFFAOYSA-N 0 3 313.401 2.170 20 30 DEEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NOCCN(C)C ZINC001261740726 1144274254 /nfs/dbraw/zinc/27/42/54/1144274254.db2.gz MRFAGBQPLFZCOA-UHFFFAOYSA-N 0 3 303.387 2.304 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001261934149 1144282189 /nfs/dbraw/zinc/28/21/89/1144282189.db2.gz GZMUASRHGVJEJN-SJORKVTESA-N 0 3 317.433 2.070 20 30 DEEDHN C#CCn1cc(CNC[C@@H](O)c2ccccc2C(F)(F)F)cn1 ZINC001262573285 1144320376 /nfs/dbraw/zinc/32/03/76/1144320376.db2.gz RIMSJFQNUUHPGD-OAHLLOKOSA-N 0 3 323.318 2.358 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC001263075124 1144353832 /nfs/dbraw/zinc/35/38/32/1144353832.db2.gz GFHCEDZGZXSCOP-BXUZGUMPSA-N 0 3 301.390 2.042 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001263102913 1144356030 /nfs/dbraw/zinc/35/60/30/1144356030.db2.gz IKISSXUCARZSJJ-CQSZACIVSA-N 0 3 303.406 2.162 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001263243899 1144363226 /nfs/dbraw/zinc/36/32/26/1144363226.db2.gz KQGKLSAAKZLOIR-CQSZACIVSA-N 0 3 301.394 2.032 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)COC1CC1)c1ccccc1 ZINC001263479746 1144376773 /nfs/dbraw/zinc/37/67/73/1144376773.db2.gz IFJXTDQVVIFERP-CABCVRRESA-N 0 3 300.358 2.142 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001263840240 1144408247 /nfs/dbraw/zinc/40/82/47/1144408247.db2.gz AJOZNXDXZMBLKA-NGFQHRJXSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2c(C)noc2C)C1 ZINC001263840848 1144408427 /nfs/dbraw/zinc/40/84/27/1144408427.db2.gz UEGHMXPSCZJGDK-OKILXGFUSA-N 0 3 305.422 2.488 20 30 DEEDHN C=CCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2CCCC2)n1 ZINC001264023808 1144443610 /nfs/dbraw/zinc/44/36/10/1144443610.db2.gz IAWSFVMCDPIWPV-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCOC ZINC001264029199 1144443903 /nfs/dbraw/zinc/44/39/03/1144443903.db2.gz AHLMBWAWCSJUKD-HYVNUMGLSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NCc2nccn2C)C1 ZINC001264473687 1144544916 /nfs/dbraw/zinc/54/49/16/1144544916.db2.gz UDVDVXWBILVYPV-LSDHHAIUSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1CC ZINC001264619865 1144580082 /nfs/dbraw/zinc/58/00/82/1144580082.db2.gz KIRZDLMBXXYSOQ-JKSUJKDBSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001264629878 1144582157 /nfs/dbraw/zinc/58/21/57/1144582157.db2.gz GCRKZYSDASSACQ-DLBZAZTESA-N 0 3 320.477 2.428 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001264702792 1144597078 /nfs/dbraw/zinc/59/70/78/1144597078.db2.gz NDVJKJJOCHIFIC-WBVHZDCISA-N 0 3 316.449 2.231 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1C ZINC001264722779 1144601343 /nfs/dbraw/zinc/60/13/43/1144601343.db2.gz ZRQXHOOLOQOTIN-XBVQOTNRSA-N 0 3 306.450 2.204 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnn2cccc(Cl)c12 ZINC001265010182 1144624682 /nfs/dbraw/zinc/62/46/82/1144624682.db2.gz UZKDBXLHMOAWMD-UHFFFAOYSA-N 0 3 318.808 2.063 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001265074719 1144637294 /nfs/dbraw/zinc/63/72/94/1144637294.db2.gz GCUIOMZFVBFSKJ-HNNXBMFYSA-N 0 3 304.821 2.441 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1cocn1 ZINC001265104358 1144644544 /nfs/dbraw/zinc/64/45/44/1144644544.db2.gz PHRROOOALSDCSB-UHFFFAOYSA-N 0 3 311.385 2.168 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)c2oc(C)cc2C)CC1 ZINC001265241928 1144675237 /nfs/dbraw/zinc/67/52/37/1144675237.db2.gz KTIJVFFNDNVGOD-UHFFFAOYSA-N 0 3 319.449 2.210 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C[C@@H]2C=CCC2)CC1 ZINC001265238976 1144675240 /nfs/dbraw/zinc/67/52/40/1144675240.db2.gz XOWYCKJJGWUBSU-QGZVFWFLSA-N 0 3 305.466 2.043 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001265303211 1144688356 /nfs/dbraw/zinc/68/83/56/1144688356.db2.gz CPWGKSMXCGLXNE-JKSUJKDBSA-N 0 3 306.450 2.328 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001265441723 1144704206 /nfs/dbraw/zinc/70/42/06/1144704206.db2.gz RFKDDYMRLNYDFX-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C)ns2)C1 ZINC001265468826 1144705686 /nfs/dbraw/zinc/70/56/86/1144705686.db2.gz PEKZXMCXXKCWAT-MGPQQGTHSA-N 0 3 323.462 2.170 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001265492776 1144707052 /nfs/dbraw/zinc/70/70/52/1144707052.db2.gz YDPNPVQJKLNBLP-JHJVBQTASA-N 0 3 323.462 2.491 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001265537379 1144710418 /nfs/dbraw/zinc/71/04/18/1144710418.db2.gz SSYBCLNVLFQUJZ-IYBDPMFKSA-N 0 3 313.376 2.238 20 30 DEEDHN CC/C=C(/C)C(=O)N[C@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001265699683 1144730274 /nfs/dbraw/zinc/73/02/74/1144730274.db2.gz HVTFLKYLZWAVGE-DNQJIUQOSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCOCC2CC2)C1 ZINC001265703813 1144731677 /nfs/dbraw/zinc/73/16/77/1144731677.db2.gz UYPJWHBKKLWNGT-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C12CCC(CC1)C2(C)C ZINC001265935168 1144762763 /nfs/dbraw/zinc/76/27/63/1144762763.db2.gz KYNISEAEJCJZEU-UHFFFAOYSA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN(CCCNC(=O)COc1ccc(C)cc1)C1CC1 ZINC001266171652 1144811501 /nfs/dbraw/zinc/81/15/01/1144811501.db2.gz GEOCOFIECILWFJ-UHFFFAOYSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001266193241 1144812838 /nfs/dbraw/zinc/81/28/38/1144812838.db2.gz HESNTCXRLKKXDY-IAGOWNOFSA-N 0 3 308.466 2.404 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001266197522 1144813093 /nfs/dbraw/zinc/81/30/93/1144813093.db2.gz KSJGNZIRJTWZAG-CYBMUJFWSA-N 0 3 318.465 2.314 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001266217636 1144815596 /nfs/dbraw/zinc/81/55/96/1144815596.db2.gz DUWCBQUTWFIAMT-FUHWJXTLSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccncn2)C1 ZINC001266242409 1144818367 /nfs/dbraw/zinc/81/83/67/1144818367.db2.gz CBTHLYGQPBEGRL-OAHLLOKOSA-N 0 3 302.422 2.417 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC001279362578 1144821139 /nfs/dbraw/zinc/82/11/39/1144821139.db2.gz IDZJIMUDXUYCMF-CALCHBBNSA-N 0 3 314.404 2.375 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001280305783 1144835416 /nfs/dbraw/zinc/83/54/16/1144835416.db2.gz MBTHUBCXLITBPJ-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001280679957 1144849204 /nfs/dbraw/zinc/84/92/04/1144849204.db2.gz MFURYDCAAWOITN-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C(C)(C)C1 ZINC001281558712 1144897173 /nfs/dbraw/zinc/89/71/73/1144897173.db2.gz UHMZYHHLMAGXLW-HNNXBMFYSA-N 0 3 319.453 2.381 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C(C)(C)C1 ZINC001281558712 1144897174 /nfs/dbraw/zinc/89/71/74/1144897174.db2.gz UHMZYHHLMAGXLW-HNNXBMFYSA-N 0 3 319.453 2.381 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)COc2ccccc2F)C[C@H]1C ZINC001281684258 1144907763 /nfs/dbraw/zinc/90/77/63/1144907763.db2.gz JSNQQSPZAJOFDJ-CABCVRRESA-N 0 3 318.392 2.197 20 30 DEEDHN Cc1cnc(CNCC2CC(NC(=O)C#CC(C)(C)C)C2)s1 ZINC001282002489 1144927671 /nfs/dbraw/zinc/92/76/71/1144927671.db2.gz JYEFQLATLFYEDA-UHFFFAOYSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001282477134 1145076464 /nfs/dbraw/zinc/07/64/64/1145076464.db2.gz BPDRDTHKZZUCSU-CYBMUJFWSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCC[NH2+][C@@H](CCN(C)C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001282562069 1145087703 /nfs/dbraw/zinc/08/77/03/1145087703.db2.gz 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1145558185 /nfs/dbraw/zinc/55/81/85/1145558185.db2.gz QOPNPGAXDOWGMR-MAUKXSAKSA-N 0 3 314.429 2.148 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1cc(C)ccc1C ZINC001283702871 1145602515 /nfs/dbraw/zinc/60/25/15/1145602515.db2.gz CBAQFKHAMMBNNP-MRXNPFEDSA-N 0 3 302.418 2.003 20 30 DEEDHN C=CCCC(=O)NC[C@H](CO)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001283745241 1145627835 /nfs/dbraw/zinc/62/78/35/1145627835.db2.gz IWMSJMXMHHXFRS-GDBMZVCRSA-N 0 3 322.836 2.360 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001316629537 1145644234 /nfs/dbraw/zinc/64/42/34/1145644234.db2.gz KHBHTELHFROYOB-MRVWCRGKSA-N 0 3 305.426 2.015 20 30 DEEDHN C[C@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)c1cccnc1 ZINC001283945402 1145721906 /nfs/dbraw/zinc/72/19/06/1145721906.db2.gz IDVSFNGHOJWEST-QFBILLFUSA-N 0 3 319.408 2.326 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NCC(=O)NC(C)(C)CC)C[C@H]1C ZINC001284004592 1145746234 /nfs/dbraw/zinc/74/62/34/1145746234.db2.gz TULPGOVCSREYJD-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCCn2nc(C)cc2C)[C@H]1C ZINC001284133570 1145805887 /nfs/dbraw/zinc/80/58/87/1145805887.db2.gz YSUZZRLINOQWKF-IAGOWNOFSA-N 0 3 318.465 2.435 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)CCn2cc(C)cn2)[C@@H]1C ZINC001284155087 1145809354 /nfs/dbraw/zinc/80/93/54/1145809354.db2.gz SHDNMZBZKFVRCZ-HOTGVXAUSA-N 0 3 304.438 2.127 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CC[C@@H](CNCc2ncc(C)s2)C1 ZINC001284169510 1145811276 /nfs/dbraw/zinc/81/12/76/1145811276.db2.gz KOVXSJZYBRIZRG-KGLIPLIRSA-N 0 3 323.462 2.029 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CC[C@H](CNCc2ncc(C)s2)C1 ZINC001284169511 1145811372 /nfs/dbraw/zinc/81/13/72/1145811372.db2.gz KOVXSJZYBRIZRG-UONOGXRCSA-N 0 3 323.462 2.029 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)CN(CC)CC ZINC001284675677 1145889044 /nfs/dbraw/zinc/88/90/44/1145889044.db2.gz LULBTPJTIXXSGQ-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)Cc2cccnc2C)CC1 ZINC001284724009 1145895572 /nfs/dbraw/zinc/89/55/72/1145895572.db2.gz 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C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001287883534 1146738326 /nfs/dbraw/zinc/73/83/26/1146738326.db2.gz XBIINYFXYQNJMP-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)Cc1cc[nH]n1 ZINC001365930721 1146917985 /nfs/dbraw/zinc/91/79/85/1146917985.db2.gz ZOTXTQSULGERLE-TZMCWYRMSA-N 0 3 310.829 2.064 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1cc[nH]n1 ZINC001365930716 1146919533 /nfs/dbraw/zinc/91/95/33/1146919533.db2.gz ZOTXTQSULGERLE-JSGCOSHPSA-N 0 3 310.829 2.064 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2nnc(C(C)C)[nH]2)C1 ZINC001491806614 1146925818 /nfs/dbraw/zinc/92/58/18/1146925818.db2.gz UMVQLDIKNZVUAB-AWEZNQCLSA-N 0 3 319.453 2.223 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccsc2COC)C1 ZINC001491932255 1147005433 /nfs/dbraw/zinc/00/54/33/1147005433.db2.gz GRVWOLLRBJYOGH-CQSZACIVSA-N 0 3 320.458 2.454 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC001491965313 1147024402 /nfs/dbraw/zinc/02/44/02/1147024402.db2.gz JTOAQTDFVJEMSE-QGZVFWFLSA-N 0 3 301.434 2.214 20 30 DEEDHN Cc1ccc(CN(C)CCNC(=O)c2ccc(C#N)[nH]2)c(C)c1 ZINC001492228900 1147170297 /nfs/dbraw/zinc/17/02/97/1147170297.db2.gz WWMHVYNDXOCWCJ-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)CCC2CC2)cc1C#N ZINC001366274516 1147188015 /nfs/dbraw/zinc/18/80/15/1147188015.db2.gz XNILEJSYHTUFJK-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001366474828 1147300463 /nfs/dbraw/zinc/30/04/63/1147300463.db2.gz VRVPAEXDYICWQO-GFCCVEGCSA-N 0 3 320.824 2.342 20 30 DEEDHN C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001366520266 1147324266 /nfs/dbraw/zinc/32/42/66/1147324266.db2.gz OEFLWSCZPDKCQG-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001303544377 1147329819 /nfs/dbraw/zinc/32/98/19/1147329819.db2.gz RXTQKQIRKMBBDZ-XIRDDKMYSA-N 0 3 306.450 2.443 20 30 DEEDHN N#Cc1ccc(CNC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC001308142821 1147448834 /nfs/dbraw/zinc/44/88/34/1147448834.db2.gz UAUCJXUILJGNIY-UHFFFAOYSA-N 0 3 316.361 2.134 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001366687286 1147483383 /nfs/dbraw/zinc/48/33/83/1147483383.db2.gz IUAWYAVHQCOCSG-TZMCWYRMSA-N 0 3 305.809 2.438 20 30 DEEDHN C#CCC[C@@H](O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308925829 1147489426 /nfs/dbraw/zinc/48/94/26/1147489426.db2.gz QTKVQPKLRITASQ-GFCCVEGCSA-N 0 3 316.279 2.478 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001317499426 1147532555 /nfs/dbraw/zinc/53/25/55/1147532555.db2.gz NDZDQFNEVSIHCH-WBVHZDCISA-N 0 3 322.474 2.464 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2coc3ccccc23)C1 ZINC001317532768 1147550248 /nfs/dbraw/zinc/55/02/48/1147550248.db2.gz KYLRVEDSJISWIJ-HNNXBMFYSA-N 0 3 310.397 2.437 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001316867016 1147553290 /nfs/dbraw/zinc/55/32/90/1147553290.db2.gz FZIPYHAVMATRTJ-DLBZAZTESA-N 0 3 308.466 2.291 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc4nc(C)n(C)c4c3)C2)C1 ZINC001313441566 1147563137 /nfs/dbraw/zinc/56/31/37/1147563137.db2.gz PSINSVYFISWSLV-UHFFFAOYSA-N 0 3 324.428 2.216 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001316992049 1147577728 /nfs/dbraw/zinc/57/77/28/1147577728.db2.gz ANYICQMSFZXTJX-CQSZACIVSA-N 0 3 308.809 2.485 20 30 DEEDHN C#CCN(CCCNC(=O)c1cnc(CC2CC2)s1)C1CC1 ZINC001316923122 1147632278 /nfs/dbraw/zinc/63/22/78/1147632278.db2.gz UDCWEXGJFBJFNX-UHFFFAOYSA-N 0 3 317.458 2.313 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2CCCN(CCC#C)C2)cc1 ZINC001316946652 1147637079 /nfs/dbraw/zinc/63/70/79/1147637079.db2.gz YVORGHQRHCXFAV-SFHVURJKSA-N 0 3 324.424 2.306 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001316976683 1147641776 /nfs/dbraw/zinc/64/17/76/1147641776.db2.gz ASRHGKCRGGKCFC-CABCVRRESA-N 0 3 306.450 2.042 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001316995744 1147646119 /nfs/dbraw/zinc/64/61/19/1147646119.db2.gz DNYUUEVSLTYEMN-DKIZZRPMSA-N 0 3 312.841 2.037 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)CCc2ccn(C)n2)CC1 ZINC001317005409 1147647309 /nfs/dbraw/zinc/64/73/09/1147647309.db2.gz FACHKRLMTUCBHL-UHFFFAOYSA-N 0 3 318.465 2.242 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](NCc1cncn1C)C1CC1 ZINC001317016834 1147648643 /nfs/dbraw/zinc/64/86/43/1147648643.db2.gz GYBMFZMUKDYNAT-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001317064863 1147655293 /nfs/dbraw/zinc/65/52/93/1147655293.db2.gz KUYXBLRNLDPTMC-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@](C)(CNCc1cc(F)ccc1F)C1CC1 ZINC001367168406 1147659521 /nfs/dbraw/zinc/65/95/21/1147659521.db2.gz ACDNRQFYEHBJNL-APPDUMDISA-N 0 3 321.371 2.499 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001317111042 1147661024 /nfs/dbraw/zinc/66/10/24/1147661024.db2.gz PJYGZFGJBRRBKU-JKIFEVAISA-N 0 3 324.371 2.029 20 30 DEEDHN CC[C@@H](F)CN1CCC(CCNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001367209888 1147664629 /nfs/dbraw/zinc/66/46/29/1147664629.db2.gz ZZMWVPVMWSLOSJ-OAHLLOKOSA-N 0 3 320.412 2.466 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)COc2ccc(Cl)cc2)C1 ZINC001317145059 1147666494 /nfs/dbraw/zinc/66/64/94/1147666494.db2.gz WOKVPOUBRJNFHU-CQSZACIVSA-N 0 3 320.820 2.180 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CNCc1n[nH]c(C2CC2)n1 ZINC001317181023 1147672431 /nfs/dbraw/zinc/67/24/31/1147672431.db2.gz WCEIYIOTWJAOAC-AWEZNQCLSA-N 0 3 317.437 2.119 20 30 DEEDHN C#CCCCC(=O)NC1CCC(NCc2cc(OC)no2)CC1 ZINC001317215996 1147678589 /nfs/dbraw/zinc/67/85/89/1147678589.db2.gz CJTWWQGOQWHZCK-UHFFFAOYSA-N 0 3 319.405 2.004 20 30 DEEDHN CC(C)OCC(=O)N(C)[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001367345970 1147682021 /nfs/dbraw/zinc/68/20/21/1147682021.db2.gz KOLDIWVKYOTSGS-CYBMUJFWSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)CCCF ZINC001367373756 1147685502 /nfs/dbraw/zinc/68/55/02/1147685502.db2.gz IGOKFCZDLFGYPL-LBPRGKRZSA-N 0 3 309.360 2.384 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CC1(OC)CCC1)C(C)C ZINC001367460296 1147697082 /nfs/dbraw/zinc/69/70/82/1147697082.db2.gz AFQCYODJXPEVRG-ZDUSSCGKSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Cl)CNCCc1ccc(CNC(=O)c2cocn2)cc1 ZINC001317370537 1147697814 /nfs/dbraw/zinc/69/78/14/1147697814.db2.gz OVLJFMBQBLYLMW-UHFFFAOYSA-N 0 3 319.792 2.489 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1Cc1ccns1 ZINC001317427651 1147706185 /nfs/dbraw/zinc/70/61/85/1147706185.db2.gz QRHMLQIDHLDXGU-QWHCGFSZSA-N 0 3 306.435 2.164 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1c(C)nn(CC)c1C ZINC001317512672 1147718049 /nfs/dbraw/zinc/71/80/49/1147718049.db2.gz OGZOQSGNYICGEG-MRXNPFEDSA-N 0 3 318.465 2.219 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCOc2ccccc2CC)C1 ZINC001317532907 1147721324 /nfs/dbraw/zinc/72/13/24/1147721324.db2.gz QZKPKUOYKWKRPC-MRXNPFEDSA-N 0 3 314.429 2.089 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cc(C)nn1C(CC)CC ZINC001317603007 1147731648 /nfs/dbraw/zinc/73/16/48/1147731648.db2.gz ITKLOKIOHKWSFT-UHFFFAOYSA-N 0 3 304.438 2.238 20 30 DEEDHN CC[C@H](C)[C@H](OC)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001317606817 1147732078 /nfs/dbraw/zinc/73/20/78/1147732078.db2.gz VZVIWXVKCCMUNE-YOEHRIQHSA-N 0 3 317.433 2.167 20 30 DEEDHN CC(C)N(CC#Cc1ccccc1)CCCNC(=O)c1ccn[nH]1 ZINC001317675442 1147741995 /nfs/dbraw/zinc/74/19/95/1147741995.db2.gz LNMMCYRSGCLVJB-UHFFFAOYSA-N 0 3 324.428 2.292 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c1 ZINC001367787666 1147744666 /nfs/dbraw/zinc/74/46/66/1147744666.db2.gz MNNALUKXQBUFLW-JKSUJKDBSA-N 0 3 317.433 2.278 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001318247983 1147803975 /nfs/dbraw/zinc/80/39/75/1147803975.db2.gz MTAYKLJWRKTQER-HKUYNNGSSA-N 0 3 316.445 2.321 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001318404306 1147822020 /nfs/dbraw/zinc/82/20/20/1147822020.db2.gz ZPXAIZUJFZVMEU-DOTOQJQBSA-N 0 3 304.434 2.058 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001368013906 1147828627 /nfs/dbraw/zinc/82/86/27/1147828627.db2.gz ASNVZIMJAMIAFB-OAHLLOKOSA-N 0 3 321.371 2.430 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001324970985 1147862962 /nfs/dbraw/zinc/86/29/62/1147862962.db2.gz CLZCVWJWVUNIQX-RDJZCZTQSA-N 0 3 304.438 2.239 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001325139076 1147879609 /nfs/dbraw/zinc/87/96/09/1147879609.db2.gz ZLPMEOAJAFQKEV-QFBILLFUSA-N 0 3 316.445 2.228 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)CCCn3cccc3)[C@@H]2C1 ZINC001325954811 1148024528 /nfs/dbraw/zinc/02/45/28/1148024528.db2.gz GLTZYIYIPSAYQQ-ZWKOTPCHSA-N 0 3 313.445 2.214 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc(CC)nn2C)C1 ZINC001326398265 1148092248 /nfs/dbraw/zinc/09/22/48/1148092248.db2.gz NPEGNOWAMATWSF-ZDUSSCGKSA-N 0 3 324.856 2.177 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cnc(C)[nH]1 ZINC001326449650 1148103376 /nfs/dbraw/zinc/10/33/76/1148103376.db2.gz QGMKDOMHXNSRDF-UHFFFAOYSA-N 0 3 310.401 2.103 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001326592762 1148155836 /nfs/dbraw/zinc/15/58/36/1148155836.db2.gz XBRBRNNFNKHUIY-QGZVFWFLSA-N 0 3 318.461 2.163 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)CCOc1cccc(F)c1 ZINC001327213178 1148348292 /nfs/dbraw/zinc/34/82/92/1148348292.db2.gz MRPVLVZESBEWRC-UHFFFAOYSA-N 0 3 320.408 2.398 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000424106635 230596915 /nfs/dbraw/zinc/59/69/15/230596915.db2.gz XRXBIOILWKAZPA-CVEARBPZSA-N 0 3 317.389 2.204 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(COc2ccccc2)CC1 ZINC000424105222 230597061 /nfs/dbraw/zinc/59/70/61/230597061.db2.gz QFORSVUUBCOIRI-QGZVFWFLSA-N 0 3 315.417 2.325 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612141882 361756692 /nfs/dbraw/zinc/75/66/92/361756692.db2.gz XFABBTYJPJLVBT-INMHGKMJSA-N 0 3 306.454 2.442 20 30 DEEDHN C#CCOc1ccccc1CN[C@@H]1CCCN(c2ccnn2C)C1 ZINC000278475722 214177035 /nfs/dbraw/zinc/17/70/35/214177035.db2.gz IIVOUPUCNDZRAP-QGZVFWFLSA-N 0 3 324.428 2.191 20 30 DEEDHN C[C@H]1CN(CCCNc2ccc(C#N)cc2[N+](=O)[O-])CCCO1 ZINC000278220299 214031569 /nfs/dbraw/zinc/03/15/69/214031569.db2.gz RYAWWKFFZJXIBP-ZDUSSCGKSA-N 0 3 318.377 2.379 20 30 DEEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000248564953 529664171 /nfs/dbraw/zinc/66/41/71/529664171.db2.gz DQYYQISEHJZRDO-ILXRZTDVSA-N 0 3 307.438 2.265 20 30 DEEDHN O=C(C#Cc1ccccc1)NCC1CCN(c2ccncc2)CC1 ZINC000090145737 185283662 /nfs/dbraw/zinc/28/36/62/185283662.db2.gz HHCKBBMFCGMVQY-UHFFFAOYSA-N 0 3 319.408 2.466 20 30 DEEDHN C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccc(C#N)cc1 ZINC000613390227 362098592 /nfs/dbraw/zinc/09/85/92/362098592.db2.gz ZTMJCNYYGWOVAT-KSSFIOAISA-N 0 3 323.396 2.251 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1Cc1ccccc1 ZINC000181341982 199283796 /nfs/dbraw/zinc/28/37/96/199283796.db2.gz BYOUREXKWIGWQE-CXAGYDPISA-N 0 3 308.385 2.279 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)CC1 ZINC000092560071 185325665 /nfs/dbraw/zinc/32/56/65/185325665.db2.gz WEGJNQYIAVJRGE-OIISXLGYSA-N 0 3 320.477 2.288 20 30 DEEDHN C[C@@H](CCCOc1ccccc1C(N)=O)NCC(C)(C)C#N ZINC000613620705 362164716 /nfs/dbraw/zinc/16/47/16/362164716.db2.gz YTCRMVZATKWZFU-ZDUSSCGKSA-N 0 3 303.406 2.472 20 30 DEEDHN COC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000181564212 199319039 /nfs/dbraw/zinc/31/90/39/199319039.db2.gz CGXZIMWYQWXNIU-AWEZNQCLSA-N 0 3 307.781 2.165 20 30 DEEDHN COC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000181581191 199322604 /nfs/dbraw/zinc/32/26/04/199322604.db2.gz UTBWZDMUNGUSDS-CQSZACIVSA-N 0 3 307.781 2.165 20 30 DEEDHN CN(CCC(C)(C)C#N)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000373406128 529873636 /nfs/dbraw/zinc/87/36/36/529873636.db2.gz QDMCYYLZABRZRE-HOCLYGCPSA-N 0 3 321.444 2.204 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000614194970 362313450 /nfs/dbraw/zinc/31/34/50/362313450.db2.gz PDISRLVSDZXUEJ-SJCJKPOMSA-N 0 3 315.392 2.434 20 30 DEEDHN CN(C[C@H](O)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000336876735 529959335 /nfs/dbraw/zinc/95/93/35/529959335.db2.gz UXZRJSPITZVBPQ-IPMKNSEASA-N 0 3 313.445 2.213 20 30 DEEDHN CN(Cc1cccn1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348347141 530005434 /nfs/dbraw/zinc/00/54/34/530005434.db2.gz UNFSASRACKEFCB-INIZCTEOSA-N 0 3 306.369 2.238 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614880017 362482240 /nfs/dbraw/zinc/48/22/40/362482240.db2.gz YMSILOBBEBOOII-IAGOWNOFSA-N 0 3 304.434 2.151 20 30 DEEDHN C[C@@H](NC(=O)NCC1(N(C)C)CCC1)c1cccc(C#N)c1 ZINC000614997562 362508628 /nfs/dbraw/zinc/50/86/28/362508628.db2.gz GMPQSCZAODSYHR-CYBMUJFWSA-N 0 3 300.406 2.403 20 30 DEEDHN CCC1(C(=O)NC[C@H](C)NCc2ccc(F)c(C#N)c2)CC1 ZINC001480533490 1151844792 /nfs/dbraw/zinc/84/47/92/1151844792.db2.gz VGPXPLCREGAKCY-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN N#Cc1nccnc1NC1CCN(CCc2ccccc2)CC1 ZINC000171026262 197867859 /nfs/dbraw/zinc/86/78/59/197867859.db2.gz WOMCFUSXYMHVKG-UHFFFAOYSA-N 0 3 307.401 2.467 20 30 DEEDHN CC[C@]1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCOC1 ZINC000616865544 362952659 /nfs/dbraw/zinc/95/26/59/362952659.db2.gz VCESEMCGMDSOBT-HNNXBMFYSA-N 0 3 307.781 2.309 20 30 DEEDHN CCOC1CC(N(C)CCOc2ccc(C#N)cc2OC)C1 ZINC000287116781 219324511 /nfs/dbraw/zinc/32/45/11/219324511.db2.gz YUGCDHAKHIHJBK-UHFFFAOYSA-N 0 3 304.390 2.445 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000175681065 186187574 /nfs/dbraw/zinc/18/75/74/186187574.db2.gz KUPBEWAVFIZCLD-INIZCTEOSA-N 0 3 308.385 2.281 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1F ZINC000595468655 358457143 /nfs/dbraw/zinc/45/71/43/358457143.db2.gz BBSASWOOFJQNOW-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN CC[N@H+](CCCOC(=O)N=C(N)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000172074464 198035185 /nfs/dbraw/zinc/03/51/85/198035185.db2.gz VWPKRLJJRABZGJ-LBPRGKRZSA-N 0 3 318.377 2.136 20 30 DEEDHN CC[N@@H+](CCCOC(=O)N=C(N)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000172074464 198035186 /nfs/dbraw/zinc/03/51/86/198035186.db2.gz VWPKRLJJRABZGJ-LBPRGKRZSA-N 0 3 318.377 2.136 20 30 DEEDHN CC[N@H+](CCCOC([O-])=NC(N)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000172074464 198035187 /nfs/dbraw/zinc/03/51/87/198035187.db2.gz VWPKRLJJRABZGJ-LBPRGKRZSA-N 0 3 318.377 2.136 20 30 DEEDHN CC[N@@H+](CCCOC([O-])=NC(N)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000172074464 198035188 /nfs/dbraw/zinc/03/51/88/198035188.db2.gz VWPKRLJJRABZGJ-LBPRGKRZSA-N 0 3 318.377 2.136 20 30 DEEDHN Cc1nccn1CCNC([O-])=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000328876498 539911806 /nfs/dbraw/zinc/91/18/06/539911806.db2.gz ZTBBOZRTTLCZAA-ZNMIVQPWSA-N 0 3 318.421 2.043 20 30 DEEDHN Cc1nccn1CC[NH+]=C([O-])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000328876498 539911811 /nfs/dbraw/zinc/91/18/11/539911811.db2.gz ZTBBOZRTTLCZAA-ZNMIVQPWSA-N 0 3 318.421 2.043 20 30 DEEDHN CCn1cc(CNC(=O)N2CCN(C3CCCCC3)CC2)cn1 ZINC000329697319 539927106 /nfs/dbraw/zinc/92/71/06/539927106.db2.gz FCHAOGBZSYWNDB-UHFFFAOYSA-N 0 3 319.453 2.267 20 30 DEEDHN CN1CCC(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000173680208 198239706 /nfs/dbraw/zinc/23/97/06/198239706.db2.gz YUOAAWFSRMURGZ-UHFFFAOYSA-N 0 3 317.458 2.249 20 30 DEEDHN Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(OCCN(C)C)c1 ZINC000182075344 199382901 /nfs/dbraw/zinc/38/29/01/199382901.db2.gz RDMSNEVVPIGRNV-UHFFFAOYSA-N 0 3 312.373 2.388 20 30 DEEDHN CCN1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595536036 358477001 /nfs/dbraw/zinc/47/70/01/358477001.db2.gz SYORYEQMFLBFSU-INIZCTEOSA-N 0 3 320.481 2.087 20 30 DEEDHN CCCN1CC[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000595537656 358477375 /nfs/dbraw/zinc/47/73/75/358477375.db2.gz FAMUPWWXMGGGNO-CJNGLKHVSA-N 0 3 300.406 2.403 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 ZINC000057173211 354559786 /nfs/dbraw/zinc/55/97/86/354559786.db2.gz ROPBCWCOZCDXOI-UHFFFAOYSA-N 0 3 313.401 2.237 20 30 DEEDHN CS[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930523 354695083 /nfs/dbraw/zinc/69/50/83/354695083.db2.gz QDDACDOKQNYIFV-ZDUSSCGKSA-N 0 3 305.447 2.200 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000066189540 354703852 /nfs/dbraw/zinc/70/38/52/354703852.db2.gz GOXHEJZSRWASOB-YOEHRIQHSA-N 0 3 312.417 2.499 20 30 DEEDHN CCOC[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072975995 354933594 /nfs/dbraw/zinc/93/35/94/354933594.db2.gz QQAQCUMFBLHSHN-SJORKVTESA-N 0 3 318.417 2.046 20 30 DEEDHN C=C(Cl)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073820667 354985879 /nfs/dbraw/zinc/98/58/79/354985879.db2.gz YBRWEKHTESGFQF-UHFFFAOYSA-N 0 3 307.825 2.067 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(O)(CC)CC1 ZINC000075859818 355110738 /nfs/dbraw/zinc/11/07/38/355110738.db2.gz JHUUGOIIEIPFLT-QGZVFWFLSA-N 0 3 319.445 2.392 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CCO)c2ccccc2)CC1 ZINC000077823448 355231578 /nfs/dbraw/zinc/23/15/78/355231578.db2.gz KKOHFYNVNFPZMV-QGZVFWFLSA-N 0 3 317.433 2.060 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1(O)CCCC1)C(C)C ZINC000073640550 191334981 /nfs/dbraw/zinc/33/49/81/191334981.db2.gz UDKSEAAUFGITSK-MRXNPFEDSA-N 0 3 308.466 2.496 20 30 DEEDHN CS(=O)(=O)N1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000090664989 355565967 /nfs/dbraw/zinc/56/59/67/355565967.db2.gz BDVUOMYVPAWHMM-INIZCTEOSA-N 0 3 321.446 2.045 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1ncoc1C)C(C)C ZINC000092521802 355638182 /nfs/dbraw/zinc/63/81/82/355638182.db2.gz QQWVZRXRWKLBKA-INIZCTEOSA-N 0 3 320.437 2.481 20 30 DEEDHN COCCN1CCC(NC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000123534856 355805839 /nfs/dbraw/zinc/80/58/39/355805839.db2.gz CTODVXHPPSATMO-UHFFFAOYSA-N 0 3 321.808 2.052 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000127600494 355823504 /nfs/dbraw/zinc/82/35/04/355823504.db2.gz LJVGMHRPBKZDJP-AWEZNQCLSA-N 0 3 318.417 2.332 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000170935084 355995201 /nfs/dbraw/zinc/99/52/01/355995201.db2.gz YQOWCKYQJRSQNY-ZDUSSCGKSA-N 0 3 318.396 2.371 20 30 DEEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCCO1 ZINC000182232593 356115310 /nfs/dbraw/zinc/11/53/10/356115310.db2.gz VSXLWWZCWARCLI-NOLJZWGESA-N 0 3 301.390 2.432 20 30 DEEDHN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1ccccn1 ZINC000183482174 356172829 /nfs/dbraw/zinc/17/28/29/356172829.db2.gz UVLQCVGCLCYBJD-KBPBESRZSA-N 0 3 309.325 2.134 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000182837861 356148767 /nfs/dbraw/zinc/14/87/67/356148767.db2.gz UBLFUECHPYQWHS-OAHLLOKOSA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000182865969 356149618 /nfs/dbraw/zinc/14/96/18/356149618.db2.gz HOSOOLDGHDSCGB-ZDUSSCGKSA-N 0 3 306.385 2.059 20 30 DEEDHN C[C@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000230678580 356284681 /nfs/dbraw/zinc/28/46/81/356284681.db2.gz WOAMTIJLAHYQQZ-DZGCQCFKSA-N 0 3 306.431 2.358 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(C3CC3)CC2)cc1 ZINC000236409953 356289205 /nfs/dbraw/zinc/28/92/05/356289205.db2.gz QCPCIVAMJSKTKR-UHFFFAOYSA-N 0 3 304.415 2.112 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451480004 535306156 /nfs/dbraw/zinc/30/61/56/535306156.db2.gz NXBQRGCTPKCVCE-PYOGLGTISA-N 0 3 321.465 2.223 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nccs1 ZINC000618386973 363480197 /nfs/dbraw/zinc/48/01/97/363480197.db2.gz FZNDWXPTTWEMCL-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN CN(C)CCOc1ccccc1CNC[C@@H](C#N)CCC#N ZINC000578639623 356849032 /nfs/dbraw/zinc/84/90/32/356849032.db2.gz AIEMDHOLASXYEI-OAHLLOKOSA-N 0 3 300.406 2.160 20 30 DEEDHN C=CCSCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000579582765 356997414 /nfs/dbraw/zinc/99/74/14/356997414.db2.gz NFBODHZEHVOKKO-UHFFFAOYSA-N 0 3 303.424 2.108 20 30 DEEDHN C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(Cc2ccccc2)C1 ZINC000580958479 357108980 /nfs/dbraw/zinc/10/89/80/357108980.db2.gz YLDYFZXGHDZMBK-GOSISDBHSA-N 0 3 308.385 2.281 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000581115291 357132904 /nfs/dbraw/zinc/13/29/04/357132904.db2.gz AGJYZNOYEPUVKY-QMTHXVAHSA-N 0 3 319.796 2.165 20 30 DEEDHN CSc1ccc(OC[C@H](O)CNCC2(CC#N)CC2)cc1 ZINC000581484490 357195161 /nfs/dbraw/zinc/19/51/61/357195161.db2.gz MVQBQUYUPYUOJW-CYBMUJFWSA-N 0 3 306.431 2.432 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000585726612 357348811 /nfs/dbraw/zinc/34/88/11/357348811.db2.gz RIPLRCUJIJETJM-ZMSDIMECSA-N 0 3 318.442 2.491 20 30 DEEDHN CNC(=O)[C@H](CCSC)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000588323831 357407471 /nfs/dbraw/zinc/40/74/71/357407471.db2.gz RLHBDTIRTGSQND-HOTGVXAUSA-N 0 3 317.458 2.393 20 30 DEEDHN CC(C)[C@H](NCCOc1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC000589162598 357448432 /nfs/dbraw/zinc/44/84/32/357448432.db2.gz OMUHCFKSPOVPBM-KBPBESRZSA-N 0 3 316.323 2.474 20 30 DEEDHN C=CCCOCC(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000589488466 357474389 /nfs/dbraw/zinc/47/43/89/357474389.db2.gz VSKLGODTKYLEEV-UHFFFAOYSA-N 0 3 306.410 2.071 20 30 DEEDHN COCCCN(C(=O)CCCCCC#N)C1CCN(C)CC1 ZINC000589629855 357485043 /nfs/dbraw/zinc/48/50/43/357485043.db2.gz BONPQEHWUPHVEA-UHFFFAOYSA-N 0 3 309.454 2.420 20 30 DEEDHN Cc1cnc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000590644406 357572459 /nfs/dbraw/zinc/57/24/59/357572459.db2.gz FVKMAENWPQXODC-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765048 357606307 /nfs/dbraw/zinc/60/63/07/357606307.db2.gz HNLCMCKOQLHULG-MISMHTLLSA-N 0 3 303.450 2.409 20 30 DEEDHN N#CC1(CCN2CCN([C@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000591013104 357659976 /nfs/dbraw/zinc/65/99/76/357659976.db2.gz QUZFQYRKYKHHRV-DLBZAZTESA-N 0 3 305.466 2.382 20 30 DEEDHN C[C@](CO)(NCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000591014028 357661312 /nfs/dbraw/zinc/66/13/12/357661312.db2.gz SBNQZMUWFKNJQK-LJQANCHMSA-N 0 3 323.396 2.384 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2ccccc2n1CC#N ZINC000591525513 357733296 /nfs/dbraw/zinc/73/32/96/357733296.db2.gz RRJWBSLWXHGPCV-HNNXBMFYSA-N 0 3 310.401 2.331 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000591549442 357735441 /nfs/dbraw/zinc/73/54/41/357735441.db2.gz WNCMUVJXZJUSFJ-WBVHZDCISA-N 0 3 312.417 2.281 20 30 DEEDHN Cc1ccccc1O[C@@H](C)CNCc1cnc2c(C#N)cnn2c1 ZINC000592506091 357889019 /nfs/dbraw/zinc/88/90/19/357889019.db2.gz TUYLLIVHIROHEM-AWEZNQCLSA-N 0 3 321.384 2.467 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000662084403 540327201 /nfs/dbraw/zinc/32/72/01/540327201.db2.gz RGWIJEZRBRWATP-QLFBSQMISA-N 0 3 300.406 2.017 20 30 DEEDHN CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1ccc(F)cc1 ZINC000593419814 358073894 /nfs/dbraw/zinc/07/38/94/358073894.db2.gz YKJZCZUTLJBIHV-RISCZKNCSA-N 0 3 306.337 2.486 20 30 DEEDHN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C(C#N)CC ZINC000593456330 358082786 /nfs/dbraw/zinc/08/27/86/358082786.db2.gz IATNMDZPHFXQEF-GJZGRUSLSA-N 0 3 302.374 2.169 20 30 DEEDHN C=CCOc1cccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000180094207 199116885 /nfs/dbraw/zinc/11/68/85/199116885.db2.gz XGKNDEADVGXXKK-SFHVURJKSA-N 0 3 316.445 2.406 20 30 DEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000593564574 358104012 /nfs/dbraw/zinc/10/40/12/358104012.db2.gz VDFOXJGKDJXIAA-AWEZNQCLSA-N 0 3 301.390 2.132 20 30 DEEDHN CC[C@@H](C#N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000593508830 358094117 /nfs/dbraw/zinc/09/41/17/358094117.db2.gz WHOSFTRFWHTKCF-AWEZNQCLSA-N 0 3 301.390 2.132 20 30 DEEDHN C=CCSCCN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000180457027 199160954 /nfs/dbraw/zinc/16/09/54/199160954.db2.gz QGVLYUYAZYMFQG-LBPRGKRZSA-N 0 3 314.476 2.165 20 30 DEEDHN COC1CCN(CCNC(=O)Nc2scc(C)c2C#N)CC1 ZINC000594111041 358207911 /nfs/dbraw/zinc/20/79/11/358207911.db2.gz OLBHAVOPMZVVOC-UHFFFAOYSA-N 0 3 322.434 2.161 20 30 DEEDHN CC1(C#N)CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000594283951 358238518 /nfs/dbraw/zinc/23/85/18/358238518.db2.gz OYXXNBPPGFKWAI-LSDHHAIUSA-N 0 3 304.438 2.339 20 30 DEEDHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000180622891 199186053 /nfs/dbraw/zinc/18/60/53/199186053.db2.gz QULOJGMOGVZRGL-CYBMUJFWSA-N 0 3 309.797 2.147 20 30 DEEDHN COc1ccc(C#N)cc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000594605070 358303231 /nfs/dbraw/zinc/30/32/31/358303231.db2.gz FOJRVNSLPDSKMY-OAHLLOKOSA-N 0 3 301.390 2.232 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000180642325 199189310 /nfs/dbraw/zinc/18/93/10/199189310.db2.gz SZQBSYFYXSPTGI-JSGCOSHPSA-N 0 3 304.390 2.189 20 30 DEEDHN N#Cc1cnc2c(F)ccc(F)c2c1N[C@H]1CCN(C2CC2)C1 ZINC000596087660 358607712 /nfs/dbraw/zinc/60/77/12/358607712.db2.gz JMIBTSITULIYKL-NSHDSACASA-N 0 3 314.339 2.455 20 30 DEEDHN N#Cc1cnnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000596233667 358648508 /nfs/dbraw/zinc/64/85/08/358648508.db2.gz ZZRJUMQRSWMPKA-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN COC(=O)c1ccc(N[C@@H]2CCN(C(C)(C)C)C2)c(C#N)n1 ZINC000596337373 358669429 /nfs/dbraw/zinc/66/94/29/358669429.db2.gz VYGAOTRRTRPIJF-LLVKDONJSA-N 0 3 302.378 2.025 20 30 DEEDHN COC1CCN(CCNC(=O)CC2(C#N)CCCCC2)CC1 ZINC000597360795 358898220 /nfs/dbraw/zinc/89/82/20/358898220.db2.gz MGABCEYKIOIJGI-UHFFFAOYSA-N 0 3 307.438 2.078 20 30 DEEDHN N#CC[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000597909033 359037232 /nfs/dbraw/zinc/03/72/32/359037232.db2.gz FJJMRMFWLDXUNH-INIZCTEOSA-N 0 3 319.449 2.174 20 30 DEEDHN CO[C@@]1(C(F)(F)F)CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598606609 359259254 /nfs/dbraw/zinc/25/92/54/359259254.db2.gz IEZKXGAUUJPMHA-YPMHNXCESA-N 0 3 308.344 2.330 20 30 DEEDHN Cc1noc(C2(C)CCN(C[C@H](O)CC(C)(C)C#N)CC2)n1 ZINC000598604495 359259400 /nfs/dbraw/zinc/25/94/00/359259400.db2.gz SUYHSDZXYCGAGR-CYBMUJFWSA-N 0 3 306.410 2.032 20 30 DEEDHN CC(C)(C)OC(=O)[C@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598603948 359259489 /nfs/dbraw/zinc/25/94/89/359259489.db2.gz IFFOHVXJLLRZIH-KBPBESRZSA-N 0 3 310.438 2.341 20 30 DEEDHN CCc1nccn1[C@@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598587528 359251410 /nfs/dbraw/zinc/25/14/10/359251410.db2.gz BLIOMACUPRSCHC-HUUCEWRRSA-N 0 3 304.438 2.383 20 30 DEEDHN COc1cc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc(OC)c1 ZINC000598587630 359251606 /nfs/dbraw/zinc/25/16/06/359251606.db2.gz SZEGUTHSJBOKMP-AWEZNQCLSA-N 0 3 306.406 2.436 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000598588138 359252331 /nfs/dbraw/zinc/25/23/31/359252331.db2.gz YUAGUBMUSHVKDW-KRWDZBQOSA-N 0 3 307.482 2.485 20 30 DEEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592396 359253766 /nfs/dbraw/zinc/25/37/66/359253766.db2.gz KIGPCSKUCKBWLQ-LSDHHAIUSA-N 0 3 323.481 2.161 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@]1(C)CO ZINC000598443276 359201046 /nfs/dbraw/zinc/20/10/46/359201046.db2.gz WPGRYFKLARLTDK-UWWQBHOKSA-N 0 3 300.402 2.236 20 30 DEEDHN COc1ccc2c(c1)CCN(C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598598494 359256780 /nfs/dbraw/zinc/25/67/80/359256780.db2.gz GESTUEUGGSLAQA-MRXNPFEDSA-N 0 3 302.418 2.397 20 30 DEEDHN CCc1cccc(NC(=O)CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598721152 359305565 /nfs/dbraw/zinc/30/55/65/359305565.db2.gz SXDFOYJSPRPYKA-HNNXBMFYSA-N 0 3 303.406 2.078 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1cccnc1)C(C)(C)CO ZINC000598620093 359262357 /nfs/dbraw/zinc/26/23/57/359262357.db2.gz YHQHQVBYBGSFDI-GJZGRUSLSA-N 0 3 305.422 2.032 20 30 DEEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000598619490 359262529 /nfs/dbraw/zinc/26/25/29/359262529.db2.gz DCLHSBPEFCDHPS-OLZOCXBDSA-N 0 3 321.387 2.103 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(CO)(c2ccccc2)CC1 ZINC000598618707 359262561 /nfs/dbraw/zinc/26/25/61/359262561.db2.gz PQTHEPZLIQABJX-QGZVFWFLSA-N 0 3 316.445 2.313 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)s1 ZINC000599002395 359379972 /nfs/dbraw/zinc/37/99/72/359379972.db2.gz XWAHSHFXSDXQRZ-HIFRSBDPSA-N 0 3 301.371 2.340 20 30 DEEDHN CCn1ccc(CN(C)C[C@@H](O)COc2ccccc2C#N)c1 ZINC000599387036 359486442 /nfs/dbraw/zinc/48/64/42/359486442.db2.gz SCCNGIDUCAJOBS-QGZVFWFLSA-N 0 3 313.401 2.251 20 30 DEEDHN C=CCSCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599625041 359546395 /nfs/dbraw/zinc/54/63/95/359546395.db2.gz MWNFBOGRUOVSCF-UHFFFAOYSA-N 0 3 307.419 2.209 20 30 DEEDHN CCN1CCC(NC(=O)Nc2cc(OC)c(C#N)cc2F)CC1 ZINC000599819110 359605803 /nfs/dbraw/zinc/60/58/03/359605803.db2.gz FZMXSDVGUBULTJ-UHFFFAOYSA-N 0 3 320.368 2.312 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](NCCOc1cccc(C#N)c1)C(N)=O ZINC000428849988 237264369 /nfs/dbraw/zinc/26/43/69/237264369.db2.gz KPCZTURQLHOFIV-RDTXWAMCSA-N 0 3 323.396 2.184 20 30 DEEDHN C=CCCn1cc(CN(CCN(C)C)Cc2ccccc2)nn1 ZINC000668155732 540600313 /nfs/dbraw/zinc/60/03/13/540600313.db2.gz YDGPQWCRNOUPIK-UHFFFAOYSA-N 0 3 313.449 2.418 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@@H]2CCCO2)CC1 ZINC000189213193 200364655 /nfs/dbraw/zinc/36/46/55/200364655.db2.gz SXVWWHSBPPJMIP-RDJZCZTQSA-N 0 3 306.450 2.467 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC001574962160 1069309228 /nfs/dbraw/zinc/30/92/28/1069309228.db2.gz GMRXGHOKFNEDBL-CABCVRRESA-N 0 3 324.428 2.318 20 30 DEEDHN CC[C@]1(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 ZINC000619170601 363724671 /nfs/dbraw/zinc/72/46/71/363724671.db2.gz PEIDNGIXLJYJKX-AEFFLSMTSA-N 0 3 313.401 2.212 20 30 DEEDHN CCc1cc(N2CCC(NCc3cccc(C#N)n3)CC2)ncn1 ZINC000602572074 360438810 /nfs/dbraw/zinc/43/88/10/360438810.db2.gz JQOQZQKXBDDPBM-UHFFFAOYSA-N 0 3 322.416 2.064 20 30 DEEDHN N#Cc1cccc(CNC[C@@H](c2ccccc2)N2CCOCC2)n1 ZINC000602511538 360411240 /nfs/dbraw/zinc/41/12/40/360411240.db2.gz NYCPNPOQUZWWQF-IBGZPJMESA-N 0 3 322.412 2.116 20 30 DEEDHN C[C@@H](CNCc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000602532505 360421800 /nfs/dbraw/zinc/42/18/00/360421800.db2.gz KXJHBRJBLUZXPU-HNNXBMFYSA-N 0 3 306.413 2.490 20 30 DEEDHN N#Cc1cccc(CNC[C@@H](CO)c2ccc(Cl)cc2)n1 ZINC000602663048 360482442 /nfs/dbraw/zinc/48/24/42/360482442.db2.gz SCQVIVHXSCZDMF-ZDUSSCGKSA-N 0 3 301.777 2.472 20 30 DEEDHN CC[C@H](C)[C@@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602671371 360488495 /nfs/dbraw/zinc/48/84/95/360488495.db2.gz JLKMMHHPMBFEIQ-NUEKZKHPSA-N 0 3 303.406 2.467 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2cccc(C#N)n2)C[C@H]1c1ccccc1 ZINC000602712358 360512442 /nfs/dbraw/zinc/51/24/42/360512442.db2.gz MXGYKYCKVHVCHR-ZWKOTPCHSA-N 0 3 321.380 2.342 20 30 DEEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1OCCO ZINC000602796491 360559094 /nfs/dbraw/zinc/55/90/94/360559094.db2.gz AVVLPDVVOQKTNN-ZDUSSCGKSA-N 0 3 304.390 2.411 20 30 DEEDHN C[C@@]1(C#N)CCCN(C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000602804775 360564092 /nfs/dbraw/zinc/56/40/92/360564092.db2.gz KLYQIVHAJHKFEN-RBUKOAKNSA-N 0 3 313.445 2.249 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@](C)(CC)c1ccc(F)cc1 ZINC000602926517 360629318 /nfs/dbraw/zinc/62/93/18/360629318.db2.gz OXUTUZHUMFRYFA-INIZCTEOSA-N 0 3 307.369 2.052 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000668988273 540763256 /nfs/dbraw/zinc/76/32/56/540763256.db2.gz UAOSMAZXTWXLOC-WDYCEAGBSA-N 0 3 316.445 2.435 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3cc(F)cc(C#N)c3)C2)C1 ZINC000603070722 360688517 /nfs/dbraw/zinc/68/85/17/360688517.db2.gz SDWWSISDKITUCW-MRXNPFEDSA-N 0 3 302.353 2.257 20 30 DEEDHN Cc1cc(CNCc2ccc(N3CCOCC3)nc2)ccc1C#N ZINC000443961077 238131244 /nfs/dbraw/zinc/13/12/44/238131244.db2.gz FCZUOZIMGRYXIL-UHFFFAOYSA-N 0 3 322.412 2.388 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000603128746 360712029 /nfs/dbraw/zinc/71/20/29/360712029.db2.gz ZLIJNRRYTOQFDI-CQSZACIVSA-N 0 3 301.394 2.195 20 30 DEEDHN COCCOCc1cc(C#N)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000603280124 360776144 /nfs/dbraw/zinc/77/61/44/360776144.db2.gz VESHGZSYZAEHHV-INIZCTEOSA-N 0 3 315.417 2.370 20 30 DEEDHN C[C@@H](NC[C@H](O)COCC(F)(F)F)c1ccc(C#N)cc1 ZINC000292444328 223084997 /nfs/dbraw/zinc/08/49/97/223084997.db2.gz NENZYHIBNYLUGG-MFKMUULPSA-N 0 3 302.296 2.149 20 30 DEEDHN C=CCCOCC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000606327672 360997794 /nfs/dbraw/zinc/99/77/94/360997794.db2.gz OZOZNGMUROWKKV-UHFFFAOYSA-N 0 3 306.406 2.467 20 30 DEEDHN C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCC#N ZINC000609156902 361285365 /nfs/dbraw/zinc/28/53/65/361285365.db2.gz MAWSFCIPLIBVOV-AWEZNQCLSA-N 0 3 301.390 2.193 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CNc2ccnn2C1 ZINC000619264067 363751466 /nfs/dbraw/zinc/75/14/66/363751466.db2.gz AIWLVYDUPYBFQM-QGZVFWFLSA-N 0 3 307.401 2.485 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000609919742 361349416 /nfs/dbraw/zinc/34/94/16/361349416.db2.gz IJYGTEIURNNOAM-HIFRSBDPSA-N 0 3 313.401 2.250 20 30 DEEDHN C[C@H](C[C@@H]1CCOC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619298214 363759782 /nfs/dbraw/zinc/75/97/82/363759782.db2.gz QEWVWJJBEWBKNU-XOKHGSTOSA-N 0 3 311.385 2.172 20 30 DEEDHN CC[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCS1 ZINC000610371909 361391263 /nfs/dbraw/zinc/39/12/63/361391263.db2.gz TYVWTBMAJXKPDE-NVXWUHKLSA-N 0 3 320.458 2.320 20 30 DEEDHN Cc1cc(C)c(C#N)c(NC[C@H](O)CN2CCC(C)CC2)n1 ZINC000610550200 361420443 /nfs/dbraw/zinc/42/04/43/361420443.db2.gz LGUFUMXNGIYQIQ-HNNXBMFYSA-N 0 3 302.422 2.075 20 30 DEEDHN N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000610584859 361427440 /nfs/dbraw/zinc/42/74/40/361427440.db2.gz SJQPBTBELMDMTF-AWEZNQCLSA-N 0 3 302.353 2.303 20 30 DEEDHN CC(C)(C#N)CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000611614711 361644643 /nfs/dbraw/zinc/64/46/43/361644643.db2.gz ZOUHRHCLNRYFLR-UHFFFAOYSA-N 0 3 314.433 2.500 20 30 DEEDHN C=C(C)COc1cc(CN[C@@](C)(CO)COC)ccc1OC ZINC000674068474 541179990 /nfs/dbraw/zinc/17/99/90/541179990.db2.gz UXSWNVHJHFGTAJ-KRWDZBQOSA-N 0 3 309.406 2.137 20 30 DEEDHN C=C[C@H](Nc1ccc(N2CCN(CC)CC2)cc1C)C(=O)OC ZINC000619734962 363868528 /nfs/dbraw/zinc/86/85/28/363868528.db2.gz ZOPPGRKKJIQTDB-INIZCTEOSA-N 0 3 317.433 2.276 20 30 DEEDHN C=C[C@@H](Nc1ccc(N2CCN(CC)CC2)cc1C)C(=O)OC ZINC000619734966 363868798 /nfs/dbraw/zinc/86/87/98/363868798.db2.gz ZOPPGRKKJIQTDB-MRXNPFEDSA-N 0 3 317.433 2.276 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC001574962160 1069309243 /nfs/dbraw/zinc/30/92/43/1069309243.db2.gz GMRXGHOKFNEDBL-CABCVRRESA-N 0 3 324.428 2.318 20 30 DEEDHN C=CCCOCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675578253 541357895 /nfs/dbraw/zinc/35/78/95/541357895.db2.gz PQGBFBLGVTWQRF-QGZVFWFLSA-N 0 3 302.418 2.312 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623512691 365058436 /nfs/dbraw/zinc/05/84/36/365058436.db2.gz QWXWSYKGQPXDRF-CXAGYDPISA-N 0 3 316.380 2.477 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623512693 365058734 /nfs/dbraw/zinc/05/87/34/365058734.db2.gz QWXWSYKGQPXDRF-GUYCJALGSA-N 0 3 316.380 2.477 20 30 DEEDHN CC(C)S(=O)(=O)CCCNC1(c2cccc(C#N)c2)CC1 ZINC000271786369 209213925 /nfs/dbraw/zinc/21/39/25/209213925.db2.gz MQIAVKHYFOSRSK-UHFFFAOYSA-N 0 3 306.431 2.350 20 30 DEEDHN C=CC[C@H](C(=O)N(CCOC)CCN(C)C)c1ccccc1 ZINC000275270515 212239088 /nfs/dbraw/zinc/23/90/88/212239088.db2.gz BWURAFROKYWJBV-KRWDZBQOSA-N 0 3 304.434 2.383 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000451478061 243009361 /nfs/dbraw/zinc/00/93/61/243009361.db2.gz ISYGHWGAUDHWHU-CVEARBPZSA-N 0 3 313.401 2.434 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCSC[C@H]2C2CC2)cc1 ZINC000451652428 243265918 /nfs/dbraw/zinc/26/59/18/243265918.db2.gz YXEUQYZUMFVTRG-RDJZCZTQSA-N 0 3 318.442 2.125 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1cncc2ncnn21)C(C)C ZINC000678347235 541716638 /nfs/dbraw/zinc/71/66/38/541716638.db2.gz ALTMBKMQSRCZFK-CQSZACIVSA-N 0 3 300.410 2.235 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1CCOC1 ZINC000266328736 296143057 /nfs/dbraw/zinc/14/30/57/296143057.db2.gz VFMIONQCNWQBQN-PMPSAXMXSA-N 0 3 315.417 2.336 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000093274510 193224156 /nfs/dbraw/zinc/22/41/56/193224156.db2.gz FQFMMTUOYVGUNS-UHFFFAOYSA-N 0 3 305.426 2.410 20 30 DEEDHN Cn1cc(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1C#N ZINC000453601604 245213353 /nfs/dbraw/zinc/21/33/53/245213353.db2.gz FEOVZQINXDRREJ-QGZVFWFLSA-N 0 3 303.406 2.450 20 30 DEEDHN C=CCOCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000679482375 541860999 /nfs/dbraw/zinc/86/09/99/541860999.db2.gz CURHTFYZJGFSLZ-WBVHZDCISA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCOCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000679505213 541865351 /nfs/dbraw/zinc/86/53/51/541865351.db2.gz TWQFNAMRDYZENF-QGZVFWFLSA-N 0 3 317.433 2.325 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000282607512 217122239 /nfs/dbraw/zinc/12/22/39/217122239.db2.gz DLTJSOKRFVJJQV-SWLSCSKDSA-N 0 3 306.431 2.277 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(C)nn(CC)c2Cl)CC1 ZINC000266175995 205160112 /nfs/dbraw/zinc/16/01/12/205160112.db2.gz XKPUATARAWVLTE-UHFFFAOYSA-N 0 3 310.829 2.245 20 30 DEEDHN C=CCNC(=O)c1ccc(NC2CCN(CC=C)CC2)nc1 ZINC000266451632 205356490 /nfs/dbraw/zinc/35/64/90/205356490.db2.gz XJDJGVIZSJNACM-UHFFFAOYSA-N 0 3 300.406 2.060 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)OCC ZINC000456632515 247325142 /nfs/dbraw/zinc/32/51/42/247325142.db2.gz UGDVEPPHIWOAGN-HOTGVXAUSA-N 0 3 322.449 2.408 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000680909969 542064702 /nfs/dbraw/zinc/06/47/02/542064702.db2.gz CORNLYIKKSSUPC-WBVHZDCISA-N 0 3 302.418 2.216 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@H](CO)[C@H](C)c1ccccc1 ZINC000680991712 542079040 /nfs/dbraw/zinc/07/90/40/542079040.db2.gz OYMKIKBSPHNCMI-NVXWUHKLSA-N 0 3 304.434 2.165 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(O)CCCC2(C)C)CC1 ZINC000458315941 248257877 /nfs/dbraw/zinc/25/78/77/248257877.db2.gz GLBGDIWLPFSASX-GOSISDBHSA-N 0 3 323.481 2.267 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000458334772 248266008 /nfs/dbraw/zinc/26/60/08/248266008.db2.gz NDKWISLILGJVCV-HOTGVXAUSA-N 0 3 321.465 2.236 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000459121992 248583878 /nfs/dbraw/zinc/58/38/78/248583878.db2.gz ODLBBYUMPGCOJS-OAHLLOKOSA-N 0 3 318.396 2.321 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000041519086 183196775 /nfs/dbraw/zinc/19/67/75/183196775.db2.gz MUPGTZKDHVLQPK-JTQLQIEISA-N 0 3 313.338 2.273 20 30 DEEDHN CC(C)OCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930561 184383406 /nfs/dbraw/zinc/38/34/06/184383406.db2.gz RCYYWACWTYSRGV-UHFFFAOYSA-N 0 3 317.433 2.264 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccsn1 ZINC000294441927 224031433 /nfs/dbraw/zinc/03/14/33/224031433.db2.gz LNSPJZHHHHIMPN-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C=C[C@@H](C)NC[C@@H](O)COc1ccc(Br)cc1 ZINC000158230980 197255493 /nfs/dbraw/zinc/25/54/93/197255493.db2.gz ZNQNEXBAZXCAHE-ZYHUDNBSSA-N 0 3 300.196 2.353 20 30 DEEDHN COc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)ccc1OCCO ZINC000339066251 533131129 /nfs/dbraw/zinc/13/11/29/533131129.db2.gz GFLLYLJOVQOTJZ-GZBFAFLISA-N 0 3 304.390 2.409 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000156128304 197088550 /nfs/dbraw/zinc/08/85/50/197088550.db2.gz DGFSQZPWKZDKHW-HNNXBMFYSA-N 0 3 314.429 2.175 20 30 DEEDHN CCC[C@H]1CN(Cc2ccc(C#N)cc2)CCN1CCOC ZINC000121630594 195320125 /nfs/dbraw/zinc/32/01/25/195320125.db2.gz UZUKARLVCXTFRB-SFHVURJKSA-N 0 3 301.434 2.491 20 30 DEEDHN COc1ccc(CNC[C@@H](O)C(C)C)cc1OCCCC#N ZINC000237242463 533665660 /nfs/dbraw/zinc/66/56/60/533665660.db2.gz XQWPVNLVMNVNQH-OAHLLOKOSA-N 0 3 306.406 2.484 20 30 DEEDHN N#Cc1ccc(OCCN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000359622323 133135146 /nfs/dbraw/zinc/13/51/46/133135146.db2.gz AZJHUXHFUJYDHB-KRWDZBQOSA-N 0 3 300.333 2.399 20 30 DEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCS(=O)(=O)C1 ZINC000360658651 133193315 /nfs/dbraw/zinc/19/33/15/133193315.db2.gz UMXDQTOAZBAIKW-RHSMWYFYSA-N 0 3 318.442 2.350 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000376533358 133299049 /nfs/dbraw/zinc/29/90/49/133299049.db2.gz QUKLVCCFHNEPEM-HNNXBMFYSA-N 0 3 301.365 2.142 20 30 DEEDHN N#Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000373327536 133387163 /nfs/dbraw/zinc/38/71/63/133387163.db2.gz XXACXQTWGDAOHH-OAHLLOKOSA-N 0 3 316.361 2.132 20 30 DEEDHN N#Cc1ccnc(N2CCN(CC3Cc4ccccc4C3)CC2)c1 ZINC000564529675 292098254 /nfs/dbraw/zinc/09/82/54/292098254.db2.gz RGSMIVPZGHXBSO-UHFFFAOYSA-N 0 3 318.424 2.490 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCNCC3)cn1)CC2 ZINC000564822887 292113041 /nfs/dbraw/zinc/11/30/41/292113041.db2.gz TUVSZYLMJWWPMZ-GOSISDBHSA-N 0 3 319.412 2.462 20 30 DEEDHN CN(Cc1ccc(C#N)c(F)c1)CC(C)(C)CN1CCOCC1 ZINC000192125886 145070819 /nfs/dbraw/zinc/07/08/19/145070819.db2.gz FOQQZFIZYCVZNE-UHFFFAOYSA-N 0 3 319.424 2.488 20 30 DEEDHN N#Cc1cc(Br)cnc1N[C@H]1CCN(C2CC2)C1 ZINC000336791244 145397719 /nfs/dbraw/zinc/39/77/19/145397719.db2.gz MXATXLYTBWDUPR-NSHDSACASA-N 0 3 307.195 2.364 20 30 DEEDHN C[C@H](CO)N(CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000347192902 146208280 /nfs/dbraw/zinc/20/82/80/146208280.db2.gz IIYNERAVMPDSHF-CYBMUJFWSA-N 0 3 301.390 2.122 20 30 DEEDHN N#Cc1cnn2cc(CN3CCc4ccccc4CC3)cnc12 ZINC000565302874 292153644 /nfs/dbraw/zinc/15/36/44/292153644.db2.gz HAYNCKZMIYDRPO-UHFFFAOYSA-N 0 3 303.369 2.202 20 30 DEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cnccc1C#N ZINC000358486410 147143064 /nfs/dbraw/zinc/14/30/64/147143064.db2.gz XNRNQNCSMRMHON-HNNXBMFYSA-N 0 3 300.406 2.338 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cn2cc(C)cn2)CCCCC1 ZINC001422669992 1172801866 /nfs/dbraw/zinc/80/18/66/1172801866.db2.gz CUUDFLORTXCPET-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCC2)o1 ZINC000565716413 292177368 /nfs/dbraw/zinc/17/73/68/292177368.db2.gz RNBCHTXFJUEXAR-UHFFFAOYSA-N 0 3 308.281 2.257 20 30 DEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@H]1CCOC2(CCC2)C1 ZINC000329902797 404487747 /nfs/dbraw/zinc/48/77/47/404487747.db2.gz HXADVEMYSWQVTP-KBPBESRZSA-N 0 3 318.421 2.051 20 30 DEEDHN [O-]C(N[C@H]1CCOC2(CCC2)C1)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329902797 404487758 /nfs/dbraw/zinc/48/77/58/404487758.db2.gz HXADVEMYSWQVTP-KBPBESRZSA-N 0 3 318.421 2.051 20 30 DEEDHN CO[C@H]1CCCC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000429502263 286037883 /nfs/dbraw/zinc/03/78/83/286037883.db2.gz CMLRNWLHRQTRDV-CABCVRRESA-N 0 3 307.438 2.218 20 30 DEEDHN CCS[C@H]1CCCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000112090145 401730568 /nfs/dbraw/zinc/73/05/68/401730568.db2.gz KAMPFPPCRAXMCJ-HNNXBMFYSA-N 0 3 322.478 2.250 20 30 DEEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CCCC#N)C1 ZINC000111350255 401712943 /nfs/dbraw/zinc/71/29/43/401712943.db2.gz HVXADKXHTPRQFT-AWEZNQCLSA-N 0 3 315.483 2.110 20 30 DEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCCN(C)C1CCCC1 ZINC000114061620 401789864 /nfs/dbraw/zinc/78/98/64/401789864.db2.gz ZQORESYYQXBSBD-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115554068 401831112 /nfs/dbraw/zinc/83/11/12/401831112.db2.gz DCWKUODVNSASFF-IJEWVQPXSA-N 0 3 315.417 2.265 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1cccc(C#N)c1 ZINC000078676570 401861409 /nfs/dbraw/zinc/86/14/09/401861409.db2.gz CLNJVTAITNVYNF-AWEZNQCLSA-N 0 3 300.406 2.232 20 30 DEEDHN C=CC[C@H](C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000116944772 401865230 /nfs/dbraw/zinc/86/52/30/401865230.db2.gz OOWIQOJUJVQJRR-AWEZNQCLSA-N 0 3 305.422 2.391 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CCOCC1)C(C)C ZINC000080087273 401888201 /nfs/dbraw/zinc/88/82/01/401888201.db2.gz UGXSDGOINSBOHN-MRXNPFEDSA-N 0 3 309.454 2.163 20 30 DEEDHN CC(C)OCCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1 ZINC000081997815 401899271 /nfs/dbraw/zinc/89/92/71/401899271.db2.gz FMPJWIPVNKSCMV-UHFFFAOYSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCCNC2=O)CC1 ZINC000135441317 401939626 /nfs/dbraw/zinc/93/96/26/401939626.db2.gz TZWWILQZFWVLEV-AWEZNQCLSA-N 0 3 312.417 2.499 20 30 DEEDHN N#Cc1ccc(OCCN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000135545975 401944198 /nfs/dbraw/zinc/94/41/98/401944198.db2.gz AHGYPGNEPUQKPP-HOTGVXAUSA-N 0 3 304.415 2.143 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000150886021 402002824 /nfs/dbraw/zinc/00/28/24/402002824.db2.gz VENZHNWYXQWKCJ-AWEZNQCLSA-N 0 3 302.378 2.075 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000092793046 402009208 /nfs/dbraw/zinc/00/92/08/402009208.db2.gz WTEJKVUOFYTGGQ-UHFFFAOYSA-N 0 3 313.401 2.243 20 30 DEEDHN C=CCN1CCC(N[C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000122377527 402075777 /nfs/dbraw/zinc/07/57/77/402075777.db2.gz WGTMDXXEKNEIRS-HNNXBMFYSA-N 0 3 322.474 2.089 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)[nH]1 ZINC000152295965 402087681 /nfs/dbraw/zinc/08/76/81/402087681.db2.gz YEKDXMUHOFQMHV-QGZVFWFLSA-N 0 3 308.385 2.453 20 30 DEEDHN C#CCOCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000153095830 402126312 /nfs/dbraw/zinc/12/63/12/402126312.db2.gz MNNDJQDDXQWQCH-QGZVFWFLSA-N 0 3 314.429 2.149 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000067204675 402154502 /nfs/dbraw/zinc/15/45/02/402154502.db2.gz LQKQJPCIFSSIQP-HOCLYGCPSA-N 0 3 302.418 2.487 20 30 DEEDHN CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CCCN(C)C1 ZINC000153734439 402166396 /nfs/dbraw/zinc/16/63/96/402166396.db2.gz KQBQHKYIALNCQV-OJXHRBAXSA-N 0 3 313.401 2.155 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 ZINC000106035552 402212056 /nfs/dbraw/zinc/21/20/56/402212056.db2.gz LXJJDBYLPISIIV-DOTOQJQBSA-N 0 3 324.465 2.117 20 30 DEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C1(C#N)CCOCC1 ZINC000109143012 402268853 /nfs/dbraw/zinc/26/88/53/402268853.db2.gz MGUUFYPFUWGCOR-OAHLLOKOSA-N 0 3 307.438 2.078 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(F)cc2)s1 ZINC000176954926 402354198 /nfs/dbraw/zinc/35/41/98/402354198.db2.gz DBGBGSKZVSVJTJ-LBPRGKRZSA-N 0 3 306.362 2.288 20 30 DEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(OC)c(C#N)c2)C1(C)C ZINC000186579749 402444213 /nfs/dbraw/zinc/44/42/13/402444213.db2.gz LJSBAYDCEKKGJY-SJLPKXTDSA-N 0 3 318.417 2.223 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(N(C)C)cc2F)CC1 ZINC000178541189 402509936 /nfs/dbraw/zinc/50/99/36/402509936.db2.gz FWXAWDAHAUHIIV-UHFFFAOYSA-N 0 3 305.397 2.272 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C(C)(C)C)nn2C)CC1 ZINC000171717814 402614464 /nfs/dbraw/zinc/61/44/64/402614464.db2.gz VNKFRHJUXJPARX-UHFFFAOYSA-N 0 3 304.438 2.098 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000171737502 402616995 /nfs/dbraw/zinc/61/69/95/402616995.db2.gz QBHGSOKHLOYXEB-CQSZACIVSA-N 0 3 316.405 2.420 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCCC#N ZINC000181316797 402641052 /nfs/dbraw/zinc/64/10/52/402641052.db2.gz UKXUFTVJXPAGDO-OAHLLOKOSA-N 0 3 302.422 2.500 20 30 DEEDHN Cc1cc(C)c(CNCCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000172124588 402641554 /nfs/dbraw/zinc/64/15/54/402641554.db2.gz SWXMODVHBGUOKT-ZCXUNETKSA-N 0 3 313.401 2.228 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)C(C)(C)c1ccccc1 ZINC000181793156 402656901 /nfs/dbraw/zinc/65/69/01/402656901.db2.gz ZMWLTHKJTPQEDJ-UONOGXRCSA-N 0 3 317.433 2.343 20 30 DEEDHN CCCN(CCN1CCO[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000191439217 402669913 /nfs/dbraw/zinc/66/99/13/402669913.db2.gz HYIANWVVJCMIAP-MRXNPFEDSA-N 0 3 301.434 2.491 20 30 DEEDHN CC1CCC2(CC1)OC[C@@H](CNCc1cc(C#N)n(C)c1)O2 ZINC000191565838 402679464 /nfs/dbraw/zinc/67/94/64/402679464.db2.gz UQBKAOJXVXVXJJ-BLDCVEFLSA-N 0 3 303.406 2.308 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc(C#N)c2)C1 ZINC000182319038 402680638 /nfs/dbraw/zinc/68/06/38/402680638.db2.gz LJGKKZWQQJBCMH-IAGOWNOFSA-N 0 3 312.417 2.184 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000175142888 402782973 /nfs/dbraw/zinc/78/29/73/402782973.db2.gz DUMXLTVXTCQKBR-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000174776516 402756734 /nfs/dbraw/zinc/75/67/34/402756734.db2.gz SSXFDZUEGXNHBJ-CVEARBPZSA-N 0 3 321.465 2.284 20 30 DEEDHN Cc1nc(C(=O)N(CC(C)C)C2CCN(C)CC2)ccc1C#N ZINC000193435451 402770655 /nfs/dbraw/zinc/77/06/55/402770655.db2.gz DXPGUDJDNRWXEI-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000329912614 404493078 /nfs/dbraw/zinc/49/30/78/404493078.db2.gz OJJQMCMVBUQQQH-RCCFBDPRSA-N 0 3 323.396 2.126 20 30 DEEDHN C[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N(C)C1CC1 ZINC000264209286 402857884 /nfs/dbraw/zinc/85/78/84/402857884.db2.gz GRMYHZBCVLDNFY-CHWSQXEVSA-N 0 3 300.406 2.401 20 30 DEEDHN CCN(C[C@H](O)CO[C@H](C)COC)[C@@H](C)c1ccc(C#N)cc1 ZINC000278127547 402857904 /nfs/dbraw/zinc/85/79/04/402857904.db2.gz VSKVFLCXXMZOHZ-VKJFTORMSA-N 0 3 320.433 2.354 20 30 DEEDHN C=CCN(C(=O)NCc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000271353704 402861136 /nfs/dbraw/zinc/86/11/36/402861136.db2.gz DMCREGABXNNTJU-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000271517914 402878832 /nfs/dbraw/zinc/87/88/32/402878832.db2.gz GPHZLYKLPXCHFC-UHFFFAOYSA-N 0 3 302.418 2.476 20 30 DEEDHN CN(CCCCCO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000278896129 402883377 /nfs/dbraw/zinc/88/33/77/402883377.db2.gz ORUXMCLNDOAJDW-KRWDZBQOSA-N 0 3 315.417 2.148 20 30 DEEDHN COC1CCC(N(C)CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000265169169 402897856 /nfs/dbraw/zinc/89/78/56/402897856.db2.gz BBHDPGZTQPQNGX-UHFFFAOYSA-N 0 3 315.417 2.064 20 30 DEEDHN CN(C[C@H]1CCCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279406539 402939582 /nfs/dbraw/zinc/93/95/82/402939582.db2.gz BQTWEKNJVBGWLM-IAGOWNOFSA-N 0 3 311.385 2.268 20 30 DEEDHN CN(C)C/C=C/C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000265719813 402943166 /nfs/dbraw/zinc/94/31/66/402943166.db2.gz YOKOGJWVTGMKKH-QPJJXVBHSA-N 0 3 313.401 2.046 20 30 DEEDHN C#CCSCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265775792 402948915 /nfs/dbraw/zinc/94/89/15/402948915.db2.gz FABZEGJOBAEQRE-UHFFFAOYSA-N 0 3 316.470 2.381 20 30 DEEDHN C=CCOCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000272541777 402950484 /nfs/dbraw/zinc/95/04/84/402950484.db2.gz KOIUZCDVEIDTND-LLVKDONJSA-N 0 3 301.383 2.082 20 30 DEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cccc(C#N)c1)CC2 ZINC000265944710 402964134 /nfs/dbraw/zinc/96/41/34/402964134.db2.gz GKNFCLWMFAKDLO-IAGOWNOFSA-N 0 3 300.402 2.310 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000280011004 402966660 /nfs/dbraw/zinc/96/66/60/402966660.db2.gz JUXDLUIZMAMELO-GUYCJALGSA-N 0 3 311.385 2.172 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000279295530 402927858 /nfs/dbraw/zinc/92/78/58/402927858.db2.gz YQCSHEJKHIRBEV-SJLPKXTDSA-N 0 3 302.418 2.267 20 30 DEEDHN COC[C@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272385384 402930344 /nfs/dbraw/zinc/93/03/44/402930344.db2.gz WRKMDDCNKGMULH-RDJZCZTQSA-N 0 3 313.401 2.022 20 30 DEEDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])cc2C#N)CCSC1 ZINC000267150240 403019641 /nfs/dbraw/zinc/01/96/41/403019641.db2.gz ZPYVMANNNNSQEA-AWEZNQCLSA-N 0 3 306.391 2.316 20 30 DEEDHN Cc1oc(C#N)cc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000280726145 403030926 /nfs/dbraw/zinc/03/09/26/403030926.db2.gz VHTJDRXRJJKNKM-UHFFFAOYSA-N 0 3 323.396 2.289 20 30 DEEDHN C#CCC(C)(C)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000274364430 403048517 /nfs/dbraw/zinc/04/85/17/403048517.db2.gz TZKJNNHFDOIQQJ-UHFFFAOYSA-N 0 3 316.445 2.335 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000274489646 403060727 /nfs/dbraw/zinc/06/07/27/403060727.db2.gz NVNRDABZAWPDHY-YCPFAOKUSA-N 0 3 303.406 2.270 20 30 DEEDHN C=C(C)CCN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000274729884 403082384 /nfs/dbraw/zinc/08/23/84/403082384.db2.gz HYSCZLKZBYISHE-GOSISDBHSA-N 0 3 313.401 2.149 20 30 DEEDHN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)C1CCOCC1 ZINC000268465182 403085623 /nfs/dbraw/zinc/08/56/23/403085623.db2.gz GASJWGYPQUQWNS-RISCZKNCSA-N 0 3 319.430 2.130 20 30 DEEDHN CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268471887 403086704 /nfs/dbraw/zinc/08/67/04/403086704.db2.gz IFFRBSXBZYHZGV-INIZCTEOSA-N 0 3 308.385 2.233 20 30 DEEDHN C#CCOc1ccccc1NC(=O)NC1(CN(C)C)CCC1 ZINC000281888942 403101732 /nfs/dbraw/zinc/10/17/32/403101732.db2.gz HADNSGZIDWRSBA-UHFFFAOYSA-N 0 3 301.390 2.304 20 30 DEEDHN C=CCN1CC[C@H](N2CC[C@@H](COCc3ccccc3)C2)C1=O ZINC000282016007 403113908 /nfs/dbraw/zinc/11/39/08/403113908.db2.gz OVTJKQQRUJIKDO-MSOLQXFVSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC[C@H](O)CC)C(C)C ZINC000268863980 403120093 /nfs/dbraw/zinc/12/00/93/403120093.db2.gz RJVHCKRFBVVDFN-HZPDHXFCSA-N 0 3 311.470 2.145 20 30 DEEDHN COC(=O)[C@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000276379298 403168907 /nfs/dbraw/zinc/16/89/07/403168907.db2.gz GBFLYNCOACROJD-CJNGLKHVSA-N 0 3 302.374 2.220 20 30 DEEDHN C[C@@](CO)(NCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000269397660 403136300 /nfs/dbraw/zinc/13/63/00/403136300.db2.gz BXGKOHYAMIAAMP-INIZCTEOSA-N 0 3 321.446 2.479 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CCCO ZINC000270742273 403219635 /nfs/dbraw/zinc/21/96/35/403219635.db2.gz QRIHVPKURNYUJR-CQSZACIVSA-N 0 3 310.463 2.356 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277655630 403241502 /nfs/dbraw/zinc/24/15/02/403241502.db2.gz DJBFRKTWEDAFRJ-KKXDTOCCSA-N 0 3 310.401 2.061 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(C#N)cc1OC)CC2 ZINC000271038773 403256666 /nfs/dbraw/zinc/25/66/66/403256666.db2.gz MLRLZDPPMJMIQY-OAHLLOKOSA-N 0 3 314.385 2.342 20 30 DEEDHN C[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292295664 403347523 /nfs/dbraw/zinc/34/75/23/403347523.db2.gz NKDOOTSJBQJYIO-LBPRGKRZSA-N 0 3 315.377 2.172 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1c(C)n[nH]c1C)C(C)C ZINC000298310324 403355378 /nfs/dbraw/zinc/35/53/78/403355378.db2.gz VGXNXJFPTTZVQN-KRWDZBQOSA-N 0 3 318.465 2.384 20 30 DEEDHN Cc1cc(CNCCn2cnc(C#N)n2)c(OC(F)F)cc1C ZINC000285501744 403312339 /nfs/dbraw/zinc/31/23/39/403312339.db2.gz MUPBNEAEVNKFBS-UHFFFAOYSA-N 0 3 321.331 2.158 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cnn(C)c1C)C(C)C ZINC000292194955 403317155 /nfs/dbraw/zinc/31/71/55/403317155.db2.gz KEYDJUOBTRTWDY-KRWDZBQOSA-N 0 3 318.465 2.086 20 30 DEEDHN CC[C@]1(CO)CCCN1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000331259028 403364495 /nfs/dbraw/zinc/36/44/95/403364495.db2.gz GXZJSPAVQNRHBN-HLLBOEOZSA-N 0 3 311.470 2.258 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ccncn3)CC2)cc1 ZINC000298365649 403366766 /nfs/dbraw/zinc/36/67/66/403366766.db2.gz NJLQUICFGDFRLH-SFHVURJKSA-N 0 3 308.385 2.261 20 30 DEEDHN C[C@H](c1ccccc1)[C@H](NCCOc1ccc(C#N)cc1)C(N)=O ZINC000292256533 403336125 /nfs/dbraw/zinc/33/61/25/403336125.db2.gz REVACDMRNBOXLV-KDOFPFPSSA-N 0 3 323.396 2.184 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCC(C)CC1 ZINC000345453426 403340540 /nfs/dbraw/zinc/34/05/40/403340540.db2.gz PAUMTRJEFIOORJ-CQSZACIVSA-N 0 3 310.417 2.144 20 30 DEEDHN COCC1(C#N)CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000342844095 403368641 /nfs/dbraw/zinc/36/86/41/403368641.db2.gz YBTGUPBJYORPBK-UHFFFAOYSA-N 0 3 311.389 2.019 20 30 DEEDHN N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000292775065 403377846 /nfs/dbraw/zinc/37/78/46/403377846.db2.gz KWQQXRULDNOPJC-HNNXBMFYSA-N 0 3 313.332 2.451 20 30 DEEDHN N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)nc1 ZINC000292775065 403377848 /nfs/dbraw/zinc/37/78/48/403377848.db2.gz KWQQXRULDNOPJC-HNNXBMFYSA-N 0 3 313.332 2.451 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293133342 403396853 /nfs/dbraw/zinc/39/68/53/403396853.db2.gz JERZONDKMLAEMQ-SUMWQHHRSA-N 0 3 314.433 2.036 20 30 DEEDHN CCOC[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000298551500 403412105 /nfs/dbraw/zinc/41/21/05/403412105.db2.gz ODZCHCYJCUJHBQ-IRXDYDNUSA-N 0 3 315.417 2.314 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@H](CO)CN1CCCCC1)c1ccccc1 ZINC000298566144 403415951 /nfs/dbraw/zinc/41/59/51/403415951.db2.gz JXKRWAATHXPUEW-ZWKOTPCHSA-N 0 3 316.445 2.309 20 30 DEEDHN CN(C[C@@H](O)Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000293245831 403424513 /nfs/dbraw/zinc/42/45/13/403424513.db2.gz HWVZFZPIQCPHPN-RBUKOAKNSA-N 0 3 310.397 2.127 20 30 DEEDHN CCOCCCNC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345720251 403454281 /nfs/dbraw/zinc/45/42/81/403454281.db2.gz YAIMUXDPFULIBZ-UHFFFAOYSA-N 0 3 309.454 2.181 20 30 DEEDHN C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C1=CCN(C)CC1 ZINC000293391568 403460173 /nfs/dbraw/zinc/46/01/73/403460173.db2.gz FVMONRKCBYHZCR-CYBMUJFWSA-N 0 3 312.417 2.004 20 30 DEEDHN COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(SC)cc1 ZINC000345812299 403492998 /nfs/dbraw/zinc/49/29/98/403492998.db2.gz ULAXFNWBGSJRSY-MFKMUULPSA-N 0 3 306.387 2.289 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCC2)cc1 ZINC000287117252 403554868 /nfs/dbraw/zinc/55/48/68/403554868.db2.gz KLVDTQBCPHBPKZ-JTQLQIEISA-N 0 3 307.375 2.046 20 30 DEEDHN C=CCc1ccc(OC[C@H](O)CN(CC)CCOC)c(OC)c1 ZINC000299151277 403535221 /nfs/dbraw/zinc/53/52/21/403535221.db2.gz YOGRYWKCJASKFU-MRXNPFEDSA-N 0 3 323.433 2.132 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000332295806 403543215 /nfs/dbraw/zinc/54/32/15/403543215.db2.gz JYHMIJUOAYEVJW-AWEZNQCLSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000332295806 403543220 /nfs/dbraw/zinc/54/32/20/403543220.db2.gz JYHMIJUOAYEVJW-AWEZNQCLSA-N 0 3 311.389 2.373 20 30 DEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000332295806 403543225 /nfs/dbraw/zinc/54/32/25/403543225.db2.gz JYHMIJUOAYEVJW-AWEZNQCLSA-N 0 3 311.389 2.373 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000293529818 403496483 /nfs/dbraw/zinc/49/64/83/403496483.db2.gz PIVKCVCEBKLCSX-INIZCTEOSA-N 0 3 314.433 2.227 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC)C(C)(C)C)CC1 ZINC000343243969 403508574 /nfs/dbraw/zinc/50/85/74/403508574.db2.gz BLECMEQEQRDRKU-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN CCOC(=O)c1cnn(CCN(C)Cc2ccccc2)c1C#N ZINC000287491770 403610089 /nfs/dbraw/zinc/61/00/89/403610089.db2.gz JPULLBVYRCOSES-UHFFFAOYSA-N 0 3 312.373 2.063 20 30 DEEDHN C=C[C@@H](CC(=O)N1CCCN([C@@H](C)CO)CC1)c1ccccc1 ZINC000347132165 403618054 /nfs/dbraw/zinc/61/80/54/403618054.db2.gz MRMDKGSYDZSRDB-IRXDYDNUSA-N 0 3 316.445 2.261 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000294123231 403654346 /nfs/dbraw/zinc/65/43/46/403654346.db2.gz ZWVZKSFFSIWJFK-OAHLLOKOSA-N 0 3 302.418 2.260 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301725322 403669991 /nfs/dbraw/zinc/66/99/91/403669991.db2.gz PNUFYJPTOCGHKV-HNNXBMFYSA-N 0 3 316.361 2.132 20 30 DEEDHN CCC[C@@H](OC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000294294325 403695149 /nfs/dbraw/zinc/69/51/49/403695149.db2.gz CCLNKWPIBBIWEK-QGZVFWFLSA-N 0 3 317.433 2.264 20 30 DEEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000287692711 403649595 /nfs/dbraw/zinc/64/95/95/403649595.db2.gz CYHKOLJDWKNYFP-UHFFFAOYSA-N 0 3 320.400 2.097 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1 ZINC000294112192 403650500 /nfs/dbraw/zinc/65/05/00/403650500.db2.gz JZOOGWSAPNBBHM-QGZVFWFLSA-N 0 3 312.413 2.474 20 30 DEEDHN CC(C)(C)OC(=O)NCCNC(=N)Nc1cc(F)ccc1F ZINC000288760642 403764525 /nfs/dbraw/zinc/76/45/25/403764525.db2.gz SFHXFJNGEUIYSI-UHFFFAOYSA-N 0 3 314.336 2.216 20 30 DEEDHN N#Cc1ccc([C@@H](NCC2Cc3ccccc3C2)C(N)=O)cc1 ZINC000343863106 403765878 /nfs/dbraw/zinc/76/58/78/403765878.db2.gz HOTUDGZDOYXEFA-GOSISDBHSA-N 0 3 305.381 2.089 20 30 DEEDHN C[C@H]1[C@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1 ZINC000288083333 403721171 /nfs/dbraw/zinc/72/11/71/403721171.db2.gz HMGGUEYUFGTZJW-GOEBONIOSA-N 0 3 300.406 2.252 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001168416650 782007089 /nfs/dbraw/zinc/00/70/89/782007089.db2.gz ABMOEEGIZLBNOV-GFCCVEGCSA-N 0 3 308.809 2.472 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccc(C#N)cc1 ZINC000343796206 403738062 /nfs/dbraw/zinc/73/80/62/403738062.db2.gz JZBJLCXWYBJLKG-XEZPLFJOSA-N 0 3 300.406 2.401 20 30 DEEDHN CN(C)C(=O)C1(NCCOc2ccccc2C#N)CCCCC1 ZINC000295236237 403806816 /nfs/dbraw/zinc/80/68/16/403806816.db2.gz ZSOJCOAJKHJKGX-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000305096585 403828191 /nfs/dbraw/zinc/82/81/91/403828191.db2.gz UDQWRGKGGIWHPO-KRWDZBQOSA-N 0 3 302.418 2.162 20 30 DEEDHN CN(CCSc1nnc(CC#N)n1C)Cc1ccccc1 ZINC000295280957 403828859 /nfs/dbraw/zinc/82/88/59/403828859.db2.gz IMGCUEAMCBDCSL-UHFFFAOYSA-N 0 3 301.419 2.105 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3O[C@H]2C)CC1 ZINC000288932819 403795706 /nfs/dbraw/zinc/79/57/06/403795706.db2.gz UDNHHHXVHZTNIM-SUMWQHHRSA-N 0 3 315.417 2.458 20 30 DEEDHN COC(=O)COc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000341420456 403961629 /nfs/dbraw/zinc/96/16/29/403961629.db2.gz ITGYMXQYUWZNHU-UHFFFAOYSA-N 0 3 310.353 2.400 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC[C@H](c2cccc(F)c2)C1 ZINC000361994685 403916250 /nfs/dbraw/zinc/91/62/50/403916250.db2.gz DEBHSZKLQBWRNY-HNNXBMFYSA-N 0 3 303.381 2.377 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000411639794 403921386 /nfs/dbraw/zinc/92/13/86/403921386.db2.gz JGPLZZBPZHSSPC-IXDOHACOSA-N 0 3 309.498 2.319 20 30 DEEDHN COCCO[C@H]1C[C@H](CO)CN(CCC2(C#N)CCCCC2)C1 ZINC000411649104 403925565 /nfs/dbraw/zinc/92/55/65/403925565.db2.gz QRYWSEQWPYVVQR-IRXDYDNUSA-N 0 3 324.465 2.196 20 30 DEEDHN CC(C)(C#N)C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000347929789 403958573 /nfs/dbraw/zinc/95/85/73/403958573.db2.gz FRBDIHJKOKDCCE-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN C=CCOc1ccc(CN(C)CCOCCOC)cc1OC ZINC000289687802 403993668 /nfs/dbraw/zinc/99/36/68/403993668.db2.gz BKHIAOKYTOQYSK-UHFFFAOYSA-N 0 3 309.406 2.355 20 30 DEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000314759258 404002689 /nfs/dbraw/zinc/00/26/89/404002689.db2.gz GMVPFHALYYVQCV-INIZCTEOSA-N 0 3 301.390 2.388 20 30 DEEDHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000354791433 404015092 /nfs/dbraw/zinc/01/50/92/404015092.db2.gz OWOFETRLBVXURY-YCPHGPKFSA-N 0 3 316.401 2.463 20 30 DEEDHN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cccc(C#N)c2)cn1 ZINC000369252455 404022150 /nfs/dbraw/zinc/02/21/50/404022150.db2.gz QCYSGWGTYILGAI-MSOLQXFVSA-N 0 3 310.401 2.380 20 30 DEEDHN CO[C@@](C)([C@@H](C)NCC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000411946741 404027259 /nfs/dbraw/zinc/02/72/59/404027259.db2.gz LLZWYKDKALUXKJ-CJNGLKHVSA-N 0 3 307.438 2.122 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCCN1C ZINC000344282120 404028515 /nfs/dbraw/zinc/02/85/15/404028515.db2.gz IKHYRYJDLRWUJH-BBRMVZONSA-N 0 3 300.406 2.182 20 30 DEEDHN C=C[C@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000362617216 403975276 /nfs/dbraw/zinc/97/52/76/403975276.db2.gz ZTGUTDDWORWANJ-INIZCTEOSA-N 0 3 301.434 2.280 20 30 DEEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@@H]2OC(F)F)CCCCC1 ZINC000348522787 404076948 /nfs/dbraw/zinc/07/69/48/404076948.db2.gz ZRUHDCRNDCBVTL-NEPJUHHUSA-N 0 3 315.364 2.079 20 30 DEEDHN COC1([C@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)CCC1 ZINC000412018951 404059004 /nfs/dbraw/zinc/05/90/04/404059004.db2.gz GVLNWPZHXFOACF-LBPRGKRZSA-N 0 3 305.378 2.254 20 30 DEEDHN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000328641344 404121674 /nfs/dbraw/zinc/12/16/74/404121674.db2.gz XUGLDMRWRRMGPZ-ZNMIVQPWSA-N 0 3 318.421 2.081 20 30 DEEDHN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)CCN1CCCC1)CCC2 ZINC000328641666 404121867 /nfs/dbraw/zinc/12/18/67/404121867.db2.gz DHMKCNHWMBAOEE-OAHLLOKOSA-N 0 3 319.453 2.011 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000412113982 404142384 /nfs/dbraw/zinc/14/23/84/404142384.db2.gz XRACZYUEVHGQHH-AZUAARDMSA-N 0 3 322.408 2.400 20 30 DEEDHN N#Cc1ncccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000290502710 404197635 /nfs/dbraw/zinc/19/76/35/404197635.db2.gz ACHSOJBPNIUEPH-INIZCTEOSA-N 0 3 308.385 2.132 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1c(F)cccc1F ZINC000296337753 404202474 /nfs/dbraw/zinc/20/24/74/404202474.db2.gz MVCOCXCVXQTHSC-GFCCVEGCSA-N 0 3 309.360 2.280 20 30 DEEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@]2(CCCOC2)O1 ZINC000369721110 404206745 /nfs/dbraw/zinc/20/67/45/404206745.db2.gz LSDACTAKVDQWJS-WMZOPIPTSA-N 0 3 322.449 2.357 20 30 DEEDHN CCCC(=O)N1CCCC[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000329184109 404256548 /nfs/dbraw/zinc/25/65/48/404256548.db2.gz FVEDAHBDEHBWDL-HNNXBMFYSA-N 0 3 307.438 2.386 20 30 DEEDHN C[C@@H](NC(=O)N1CCC(CC(N)=O)CC1)C1=CCN(C)CC1 ZINC000329268946 404285010 /nfs/dbraw/zinc/28/50/10/404285010.db2.gz DYNIWKJIOIOEEB-GFCCVEGCSA-N 0 3 308.426 2.188 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccccc1OC(C)C ZINC000296396470 404229373 /nfs/dbraw/zinc/22/93/73/404229373.db2.gz QSEGKVOYRAGDQV-UHFFFAOYSA-N 0 3 317.433 2.228 20 30 DEEDHN C[C@H](C(=O)NC1CCCC1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329398726 404326305 /nfs/dbraw/zinc/32/63/05/404326305.db2.gz YFHMCGIUKGFATE-KGLIPLIRSA-N 0 3 307.438 2.218 20 30 DEEDHN CN(CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CC1 ZINC000350127461 404327093 /nfs/dbraw/zinc/32/70/93/404327093.db2.gz YXIXBZPTRXXMEF-UHFFFAOYSA-N 0 3 303.381 2.185 20 30 DEEDHN COc1cc(C#N)cc(Cl)c1OC[C@@H](O)CN(C)C1CC1 ZINC000290849978 404336378 /nfs/dbraw/zinc/33/63/78/404336378.db2.gz XEYXHHZJQAFRNT-LBPRGKRZSA-N 0 3 310.781 2.054 20 30 DEEDHN C=CCN(CCCN1CCN(c2ccccc2)CC1)CCOC ZINC000352411990 404351594 /nfs/dbraw/zinc/35/15/94/404351594.db2.gz ATYCSEQAULQWHP-UHFFFAOYSA-N 0 3 317.477 2.333 20 30 DEEDHN COCCN(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000355654043 404357727 /nfs/dbraw/zinc/35/77/27/404357727.db2.gz FKCBSYMIVSTZGP-KRWDZBQOSA-N 0 3 317.433 2.111 20 30 DEEDHN N#Cc1ccc([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000364054454 404300569 /nfs/dbraw/zinc/30/05/69/404300569.db2.gz GKLAULAEILDXNU-CQSZACIVSA-N 0 3 316.361 2.132 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344686638 404305440 /nfs/dbraw/zinc/30/54/40/404305440.db2.gz BLNOYCHDBSSDND-PVAVHDDUSA-N 0 3 306.450 2.300 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)COc1ccccc1C#N ZINC000344686506 404305751 /nfs/dbraw/zinc/30/57/51/404305751.db2.gz COIAVXNTXZDSNU-MRXNPFEDSA-N 0 3 315.417 2.174 20 30 DEEDHN C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCCOC1)N1CCC[C@@H](C)C1 ZINC000329523282 404364864 /nfs/dbraw/zinc/36/48/64/404364864.db2.gz ROLMMGWMLIVDHO-KLHDSHLOSA-N 0 3 311.470 2.426 20 30 DEEDHN Cc1cccc2c1OC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)C2 ZINC000329553844 404374445 /nfs/dbraw/zinc/37/44/45/404374445.db2.gz BCOUASFZTPSSFC-FVQBIDKESA-N 0 3 317.433 2.285 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)s1 ZINC000329571428 404379397 /nfs/dbraw/zinc/37/93/97/404379397.db2.gz MREJTWQOHDGGCD-UHTWSYAYSA-N 0 3 323.466 2.238 20 30 DEEDHN CN(c1ncc(Br)cc1C#N)[C@H]1CCCN(C)C1 ZINC000296947069 404384885 /nfs/dbraw/zinc/38/48/85/404384885.db2.gz BXABMUIJJLFZDF-LBPRGKRZSA-N 0 3 309.211 2.246 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000352465032 404390514 /nfs/dbraw/zinc/39/05/14/404390514.db2.gz BURFYFHZJRGCKZ-HUUCEWRRSA-N 0 3 312.479 2.007 20 30 DEEDHN C=CC[C@@H](CO)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000342160449 404412421 /nfs/dbraw/zinc/41/24/21/404412421.db2.gz KNKPAKYMSHLKAF-MRXNPFEDSA-N 0 3 302.418 2.197 20 30 DEEDHN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000329939424 404500326 /nfs/dbraw/zinc/50/03/26/404500326.db2.gz FRLRDNCTZCQULA-KKUMJFAQSA-N 0 3 302.422 2.482 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000329947188 404503468 /nfs/dbraw/zinc/50/34/68/404503468.db2.gz JYJPNQURLQYTRS-MEQWQQMJSA-N 0 3 322.409 2.239 20 30 DEEDHN CCC(=O)N1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000330001430 404523162 /nfs/dbraw/zinc/52/31/62/404523162.db2.gz AHVWABBHZWSECX-HOCLYGCPSA-N 0 3 309.454 2.464 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCCc1cccc(C#N)c1 ZINC000342201155 404437732 /nfs/dbraw/zinc/43/77/32/404437732.db2.gz MJIXDONTKCZJMX-UHFFFAOYSA-N 0 3 314.433 2.084 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 ZINC000356317752 404445084 /nfs/dbraw/zinc/44/50/84/404445084.db2.gz WADYLMPITJZULC-IBGZPJMESA-N 0 3 311.429 2.435 20 30 DEEDHN CC(C)n1cnnc1SCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000329814786 404460875 /nfs/dbraw/zinc/46/08/75/404460875.db2.gz USHBUJWTRHCHJL-YPMHNXCESA-N 0 3 323.466 2.390 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CCC[C@H]1O)C(C)C ZINC000350750643 404461136 /nfs/dbraw/zinc/46/11/36/404461136.db2.gz ZXHZUGJDNOMZFY-GVDBMIGSSA-N 0 3 323.481 2.240 20 30 DEEDHN C#CCC1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCCC1 ZINC000365089250 404559983 /nfs/dbraw/zinc/55/99/83/404559983.db2.gz NAKVYGVYUUJATF-KRWDZBQOSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc(F)c1Cl ZINC000414435109 404628379 /nfs/dbraw/zinc/62/83/79/404628379.db2.gz WUPBOCWNQLADBY-SECBINFHSA-N 0 3 319.785 2.085 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)CC[C@H]1CCCO1 ZINC000342609883 404677018 /nfs/dbraw/zinc/67/70/18/404677018.db2.gz WJSMOGXFFPRYNB-OAHLLOKOSA-N 0 3 304.390 2.447 20 30 DEEDHN COC(=O)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000345306684 404667298 /nfs/dbraw/zinc/66/72/98/404667298.db2.gz QROIQBDGNLYFPD-UHFFFAOYSA-N 0 3 302.374 2.212 20 30 DEEDHN C=CCOCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000357700374 404741197 /nfs/dbraw/zinc/74/11/97/404741197.db2.gz SYBLPMBSSPZCRT-UHFFFAOYSA-N 0 3 318.417 2.032 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(OCCCCC)C2)CC1 ZINC000359094097 404783627 /nfs/dbraw/zinc/78/36/27/404783627.db2.gz LWIPOCRSDFYFGA-UHFFFAOYSA-N 0 3 309.454 2.237 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC(C3CCCC3)C2)cc1 ZINC000366505920 404805323 /nfs/dbraw/zinc/80/53/23/404805323.db2.gz QVKRACOHBVBUTD-QGZVFWFLSA-N 0 3 300.402 2.420 20 30 DEEDHN Cc1csc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)n1 ZINC000359918495 404809413 /nfs/dbraw/zinc/80/94/13/404809413.db2.gz REKWUMYOPGDZJV-VIFPVBQESA-N 0 3 303.303 2.001 20 30 DEEDHN C=CCCS(=O)(=O)NCC(C)(C)N1CCC[C@H](CC)C1 ZINC000360204122 404821658 /nfs/dbraw/zinc/82/16/58/404821658.db2.gz UAFFGEKSXGEUFG-AWEZNQCLSA-N 0 3 302.484 2.383 20 30 DEEDHN Cc1nc(C(=O)N2CCCN(C3CCCC3)CC2)ccc1C#N ZINC000361068808 404902760 /nfs/dbraw/zinc/90/27/60/404902760.db2.gz RJTLYVUSZJIVHI-UHFFFAOYSA-N 0 3 312.417 2.352 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435252401 404967219 /nfs/dbraw/zinc/96/72/19/404967219.db2.gz RPGGNZPFPILBNM-PBHICJAKSA-N 0 3 311.429 2.435 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000424092710 405002282 /nfs/dbraw/zinc/00/22/82/405002282.db2.gz QJQUPIJVEORMDO-QWHCGFSZSA-N 0 3 307.394 2.500 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000424113522 405010281 /nfs/dbraw/zinc/01/02/81/405010281.db2.gz NTPMNTHBSQMRFA-MRXNPFEDSA-N 0 3 301.390 2.152 20 30 DEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccc(Cl)cc1 ZINC000424120486 405012693 /nfs/dbraw/zinc/01/26/93/405012693.db2.gz HDWNPYQSSKFPHC-RISCZKNCSA-N 0 3 309.797 2.245 20 30 DEEDHN Cc1cnn(-c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2F)c1 ZINC000424124671 405014061 /nfs/dbraw/zinc/01/40/61/405014061.db2.gz MNPCJFLPVMYBSO-AWEZNQCLSA-N 0 3 315.352 2.280 20 30 DEEDHN Cc1ccccc1-c1cc(NC(=O)[C@H](N)CCCC#N)n(C)n1 ZINC000424125723 405015485 /nfs/dbraw/zinc/01/54/85/405015485.db2.gz RKNXYFTWNCSFDN-CQSZACIVSA-N 0 3 311.389 2.355 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000424133089 405016596 /nfs/dbraw/zinc/01/65/96/405016596.db2.gz IXCICUHINRWDIK-AWEZNQCLSA-N 0 3 301.394 2.032 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000424134918 405018578 /nfs/dbraw/zinc/01/85/78/405018578.db2.gz OLRWYHREZSCXMZ-IAGOWNOFSA-N 0 3 308.385 2.308 20 30 DEEDHN CCc1csc([C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)n1 ZINC000424152048 405024156 /nfs/dbraw/zinc/02/41/56/405024156.db2.gz HWFMVXOQKWFNPD-TZMCWYRMSA-N 0 3 320.462 2.433 20 30 DEEDHN C=CCC1(C(=O)NCc2ccc3c(c2)CNC3)CCOCC1 ZINC000424164059 405026373 /nfs/dbraw/zinc/02/63/73/405026373.db2.gz WHBNZDXMFJBOBV-UHFFFAOYSA-N 0 3 300.402 2.279 20 30 DEEDHN CCc1ccc([C@H]2CN(C(=O)[C@H](N)CCCC#N)CCO2)cc1 ZINC000424173655 405029237 /nfs/dbraw/zinc/02/92/37/405029237.db2.gz OGWFVKZYRWXOCB-IAGOWNOFSA-N 0 3 315.417 2.170 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000424061773 404989884 /nfs/dbraw/zinc/98/98/84/404989884.db2.gz JSZAGOTUHUUDNV-QGZVFWFLSA-N 0 3 315.417 2.215 20 30 DEEDHN COc1ccc2cc(CNC(=O)[C@@H](N)CCCC#N)ccc2c1 ZINC000424063292 404991845 /nfs/dbraw/zinc/99/18/45/404991845.db2.gz INYXSWTXUFMJJY-KRWDZBQOSA-N 0 3 311.385 2.486 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000451427293 404992796 /nfs/dbraw/zinc/99/27/96/404992796.db2.gz VMPMRAPOTUCQOE-BRWVUGGUSA-N 0 3 313.401 2.122 20 30 DEEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424070812 404994185 /nfs/dbraw/zinc/99/41/85/404994185.db2.gz ASYFBPWOOFCJMP-SWLSCSKDSA-N 0 3 313.405 2.397 20 30 DEEDHN CC(C)OCCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000354211132 405100562 /nfs/dbraw/zinc/10/05/62/405100562.db2.gz VWGGATSNUTUCKR-OAHLLOKOSA-N 0 3 309.454 2.464 20 30 DEEDHN COc1cccc([C@H](CNc2cc(C)ncc2C#N)N(C)C)c1 ZINC000399557964 405062022 /nfs/dbraw/zinc/06/20/22/405062022.db2.gz DHKYRAWSXYVDHG-SFHVURJKSA-N 0 3 310.401 2.407 20 30 DEEDHN C[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000425269307 405266471 /nfs/dbraw/zinc/26/64/71/405266471.db2.gz QNCXXDUPWZUVQC-LBPRGKRZSA-N 0 3 300.362 2.387 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(Cc2cccc(CN(C)C)c2)C1=O ZINC000419961356 405275773 /nfs/dbraw/zinc/27/57/73/405275773.db2.gz YRFPFRUGRQQVFT-HNNXBMFYSA-N 0 3 301.390 2.135 20 30 DEEDHN C=C[C@@H](CC(=O)NC[C@@](C)(O)CCN(C)C)c1ccccc1 ZINC000420010801 405280279 /nfs/dbraw/zinc/28/02/79/405280279.db2.gz HKCGNYCTLQBSQI-YJBOKZPZSA-N 0 3 304.434 2.165 20 30 DEEDHN N#Cc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)[nH]1 ZINC000425005668 405228097 /nfs/dbraw/zinc/22/80/97/405228097.db2.gz LIGUJHZOQBEIQX-MAUKXSAKSA-N 0 3 320.396 2.233 20 30 DEEDHN C=CC1CCN(Cc2c(C)nn(CC(=O)OCC)c2C)CC1 ZINC000438109861 405232429 /nfs/dbraw/zinc/23/24/29/405232429.db2.gz MJYSWNLYBHHJRF-UHFFFAOYSA-N 0 3 305.422 2.461 20 30 DEEDHN COCCCCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419378640 405246520 /nfs/dbraw/zinc/24/65/20/405246520.db2.gz DMAIKHCZFSTACJ-QGZVFWFLSA-N 0 3 315.417 2.412 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000426042997 405336664 /nfs/dbraw/zinc/33/66/64/405336664.db2.gz GHDUNNOTXQAGJD-DLBZAZTESA-N 0 3 322.497 2.010 20 30 DEEDHN COCCNCCNc1nc2c(cc1C#N)CCCC2(C)C ZINC000420219610 405296465 /nfs/dbraw/zinc/29/64/65/405296465.db2.gz RFEVTCQQQRYYBD-UHFFFAOYSA-N 0 3 302.422 2.215 20 30 DEEDHN Cc1cc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)ccc1C#N ZINC000446762490 405391881 /nfs/dbraw/zinc/39/18/81/405391881.db2.gz PXKYNDUKDSCXOG-QGZVFWFLSA-N 0 3 304.390 2.049 20 30 DEEDHN C=CC(C)(C)CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000455375711 405403041 /nfs/dbraw/zinc/40/30/41/405403041.db2.gz ZXTFZEHFNNJHLK-UHFFFAOYSA-N 0 3 311.470 2.387 20 30 DEEDHN CN(C[C@H]1CCCN1C)c1nc2cc(Cl)ccn2c1C#N ZINC000420630054 405364495 /nfs/dbraw/zinc/36/44/95/405364495.db2.gz DGSNDDBTMCFFMI-GFCCVEGCSA-N 0 3 303.797 2.390 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000429720140 405445228 /nfs/dbraw/zinc/44/52/28/405445228.db2.gz PIMBSHVOEATIDF-QGZVFWFLSA-N 0 3 317.477 2.473 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000429720139 405445754 /nfs/dbraw/zinc/44/57/54/405445754.db2.gz PIMBSHVOEATIDF-KRWDZBQOSA-N 0 3 317.477 2.473 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)CCN2CCCC2)cc1 ZINC000448904401 405461576 /nfs/dbraw/zinc/46/15/76/405461576.db2.gz PVFLFBZZLJEZGC-UHFFFAOYSA-N 0 3 302.418 2.348 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458723213 405559219 /nfs/dbraw/zinc/55/92/19/405559219.db2.gz DSPDGRIWHVJCNI-PMPSAXMXSA-N 0 3 309.454 2.092 20 30 DEEDHN Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC1(CC#N)CC1 ZINC000430754594 405504150 /nfs/dbraw/zinc/50/41/50/405504150.db2.gz FIQWHYDLESLTQV-UHFFFAOYSA-N 0 3 318.421 2.235 20 30 DEEDHN C=CCC(C)(C)CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000458709999 405552879 /nfs/dbraw/zinc/55/28/79/405552879.db2.gz DHYKTBBLMCERDU-HNNXBMFYSA-N 0 3 311.470 2.389 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000580419273 405611012 /nfs/dbraw/zinc/61/10/12/405611012.db2.gz YYZWPZPXLKTCOK-RDTXWAMCSA-N 0 3 317.408 2.370 20 30 DEEDHN N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1ccncn1 ZINC000580510790 405627354 /nfs/dbraw/zinc/62/73/54/405627354.db2.gz PYKLZKAXAQNGAP-CABCVRRESA-N 0 3 309.325 2.134 20 30 DEEDHN N#CC(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1ccncn1 ZINC000580510790 405627359 /nfs/dbraw/zinc/62/73/59/405627359.db2.gz PYKLZKAXAQNGAP-CABCVRRESA-N 0 3 309.325 2.134 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@](COC)(C(=O)OC)C2)cc1 ZINC000449454272 405568731 /nfs/dbraw/zinc/56/87/31/405568731.db2.gz OLNLTCBWLHVQRU-GOSISDBHSA-N 0 3 319.401 2.263 20 30 DEEDHN CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccncc1 ZINC000558388361 405651748 /nfs/dbraw/zinc/65/17/48/405651748.db2.gz BJWDFJQXLBFYRK-FUHWJXTLSA-N 0 3 311.385 2.434 20 30 DEEDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494216035 405662722 /nfs/dbraw/zinc/66/27/22/405662722.db2.gz LYBKODDAEYNOLU-MEBBXXQBSA-N 0 3 307.781 2.307 20 30 DEEDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494227544 405664969 /nfs/dbraw/zinc/66/49/69/405664969.db2.gz PARVEQODBWNKJI-AHFAEGJPSA-N 0 3 321.465 2.463 20 30 DEEDHN C=CC(C)(C)CNC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000458983382 405677010 /nfs/dbraw/zinc/67/70/10/405677010.db2.gz DDSVWXOXCLKHQU-UHFFFAOYSA-N 0 3 324.513 2.258 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(F)c(C#N)c2)cnn1C ZINC000431977582 405704582 /nfs/dbraw/zinc/70/45/82/405704582.db2.gz NZXVBUZNHMRCSS-DLBZAZTESA-N 0 3 314.364 2.359 20 30 DEEDHN CC[C@H]1CN(CCN[C@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000494469828 405705149 /nfs/dbraw/zinc/70/51/49/405705149.db2.gz UZEWSXGTTKAMBH-CJNGLKHVSA-N 0 3 305.397 2.459 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000582433078 405731131 /nfs/dbraw/zinc/73/11/31/405731131.db2.gz LWDWGCFKIAUZTF-OCCSQVGLSA-N 0 3 300.406 2.112 20 30 DEEDHN C[C@H]1CC(F)(F)CCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000528762761 405738600 /nfs/dbraw/zinc/73/86/00/405738600.db2.gz NWDWSAJGKQJKHU-GXTWGEPZSA-N 0 3 310.344 2.418 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000528916111 405744059 /nfs/dbraw/zinc/74/40/59/405744059.db2.gz FFILDAFNSJEANP-QZPUYBJASA-N 0 3 314.385 2.071 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2scc(C)c2C#N)C[C@@H]1N(C)C ZINC000568764993 292366280 /nfs/dbraw/zinc/36/62/80/292366280.db2.gz YUHDZIACWGOXSL-RYUDHWBXSA-N 0 3 324.475 2.438 20 30 DEEDHN CN(C)[C@@]1(CNc2cccc(C#N)c2[N+](=O)[O-])CCSC1 ZINC000450361348 405856417 /nfs/dbraw/zinc/85/64/17/405856417.db2.gz CHYNRSAAEXQRHJ-CQSZACIVSA-N 0 3 306.391 2.316 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN(CCOCCC#N)C2)C1 ZINC000495591672 405925694 /nfs/dbraw/zinc/92/56/94/405925694.db2.gz HBAKYIMAPMMSFS-KRWDZBQOSA-N 0 3 323.437 2.250 20 30 DEEDHN COCCN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000433340429 405927911 /nfs/dbraw/zinc/92/79/11/405927911.db2.gz BPYSLSBXEJELNW-AWEZNQCLSA-N 0 3 310.344 2.499 20 30 DEEDHN C=C(C)C[N@H+](CCCOC([O-])=NC(N)=O)Cc1ccccc1 ZINC000495555651 405922683 /nfs/dbraw/zinc/92/26/83/405922683.db2.gz LNIOBIQHYCYUFT-UHFFFAOYSA-N 0 3 305.378 2.260 20 30 DEEDHN C=C(C)C[N@@H+](CCCOC([O-])=NC(N)=O)Cc1ccccc1 ZINC000495555651 405922690 /nfs/dbraw/zinc/92/26/90/405922690.db2.gz LNIOBIQHYCYUFT-UHFFFAOYSA-N 0 3 305.378 2.260 20 30 DEEDHN C=C(C)C[N@H+](CCCOC(=O)N=C(N)[O-])Cc1ccccc1 ZINC000495555651 405922699 /nfs/dbraw/zinc/92/26/99/405922699.db2.gz LNIOBIQHYCYUFT-UHFFFAOYSA-N 0 3 305.378 2.260 20 30 DEEDHN C=C(C)C[N@@H+](CCCOC(=O)N=C(N)[O-])Cc1ccccc1 ZINC000495555651 405922706 /nfs/dbraw/zinc/92/27/06/405922706.db2.gz LNIOBIQHYCYUFT-UHFFFAOYSA-N 0 3 305.378 2.260 20 30 DEEDHN CC[C@H](C)NC(=O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433320856 405922843 /nfs/dbraw/zinc/92/28/43/405922843.db2.gz TXRNQZAWMMGPSQ-HOCLYGCPSA-N 0 3 315.417 2.180 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1ncc[nH]1)C(C)C ZINC000636575124 406015005 /nfs/dbraw/zinc/01/50/05/406015005.db2.gz VHTLVBBOQNSODX-HNNXBMFYSA-N 0 3 319.453 2.250 20 30 DEEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(C#N)cn2)C1 ZINC000562369957 405995932 /nfs/dbraw/zinc/99/59/32/405995932.db2.gz DAIMDIZOZYFXQA-HOCLYGCPSA-N 0 3 314.433 2.470 20 30 DEEDHN CCCCO[C@@H]1C[C@H](NCC(=O)N(CC)CCC#N)C1(C)C ZINC000450975100 406007468 /nfs/dbraw/zinc/00/74/68/406007468.db2.gz WGYXBYNPNDLYCJ-LSDHHAIUSA-N 0 3 309.454 2.322 20 30 DEEDHN CC(C)n1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000564751800 406065712 /nfs/dbraw/zinc/06/57/12/406065712.db2.gz IOXBXJCTAPSZAH-INIZCTEOSA-N 0 3 321.384 2.334 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000565229183 406070997 /nfs/dbraw/zinc/07/09/97/406070997.db2.gz PWGKBYXSFZNSGU-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN Cc1cc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000516844702 406106275 /nfs/dbraw/zinc/10/62/75/406106275.db2.gz FBFPVXQMKZLMFD-CVEARBPZSA-N 0 3 306.431 2.312 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000516864258 406106891 /nfs/dbraw/zinc/10/68/91/406106891.db2.gz VJWSVHXSCSVIBI-CJNGLKHVSA-N 0 3 304.438 2.194 20 30 DEEDHN Cc1cc(NCC2(N3CCSCC3)CCCC2)c(C#N)cn1 ZINC000567719032 406125863 /nfs/dbraw/zinc/12/58/63/406125863.db2.gz SLPBCDZVIDUMDC-UHFFFAOYSA-N 0 3 316.474 2.457 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2cc(C)cc(C)c2)CC1 ZINC000519271148 406189168 /nfs/dbraw/zinc/18/91/68/406189168.db2.gz ZYTUDILLBFMSPN-UHFFFAOYSA-N 0 3 302.418 2.449 20 30 DEEDHN C[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000519598720 406219491 /nfs/dbraw/zinc/21/94/91/406219491.db2.gz YPGGYTUORBSKIX-DZGCQCFKSA-N 0 3 321.446 2.285 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]([C@H](C)O)C1 ZINC000536356461 406255565 /nfs/dbraw/zinc/25/55/65/406255565.db2.gz WDBXFXMYSLSGDH-CGTJXYLNSA-N 0 3 319.445 2.248 20 30 DEEDHN Cc1noc(C)c1[C@@H](C)CNCc1cnc2c(C#N)cnn2c1 ZINC000519825065 406259237 /nfs/dbraw/zinc/25/92/37/406259237.db2.gz MPJJOXAXCOBXKV-JTQLQIEISA-N 0 3 310.361 2.099 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(CC#N)cc1 ZINC000488706196 406339208 /nfs/dbraw/zinc/33/92/08/406339208.db2.gz ZWYZCLISBYOGDS-INIZCTEOSA-N 0 3 313.445 2.438 20 30 DEEDHN N#CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000570422736 406391650 /nfs/dbraw/zinc/39/16/50/406391650.db2.gz BEGCREIWIQONTP-UHFFFAOYSA-N 0 3 314.389 2.326 20 30 DEEDHN COCCN(CCOc1ccccc1C#N)[C@@H]1CCO[C@@H]1C ZINC000489406169 406403390 /nfs/dbraw/zinc/40/33/90/406403390.db2.gz OCSSDLPOVLZIDR-GDBMZVCRSA-N 0 3 304.390 2.063 20 30 DEEDHN CC(C)N(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522585592 406407644 /nfs/dbraw/zinc/40/76/44/406407644.db2.gz SBNDMRBPEOWCTB-QGZVFWFLSA-N 0 3 314.433 2.444 20 30 DEEDHN COCCN(CCCOc1cccc(C#N)c1)[C@H]1CCO[C@H]1C ZINC000489463871 406409249 /nfs/dbraw/zinc/40/92/49/406409249.db2.gz AMYCPSFPNBYSPV-YJBOKZPZSA-N 0 3 318.417 2.453 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@@H](OC)C(CC)CC)CC1 ZINC000490867033 406499017 /nfs/dbraw/zinc/49/90/17/406499017.db2.gz YFHQOXZKFHHXDA-QGZVFWFLSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000491097062 406527574 /nfs/dbraw/zinc/52/75/74/406527574.db2.gz YXHPBWJYIXXQSP-CQSZACIVSA-N 0 3 306.793 2.283 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000491125548 406531314 /nfs/dbraw/zinc/53/13/14/406531314.db2.gz FODJSLRZYKJNJV-ZDUSSCGKSA-N 0 3 310.401 2.085 20 30 DEEDHN C#CCNC(=O)C1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000491156072 406535385 /nfs/dbraw/zinc/53/53/85/406535385.db2.gz XBZFGFKEPQLFOZ-KRWDZBQOSA-N 0 3 300.377 2.274 20 30 DEEDHN N#Cc1cncnc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000571673574 406551254 /nfs/dbraw/zinc/55/12/54/406551254.db2.gz CEKDASHEKZSPFL-CYBMUJFWSA-N 0 3 313.430 2.156 20 30 DEEDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000572131898 406610667 /nfs/dbraw/zinc/61/06/67/406610667.db2.gz RFQVJCIPPQZFHW-IMJJTQAJSA-N 0 3 315.417 2.071 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)c(CSC)c1 ZINC000491535292 406613828 /nfs/dbraw/zinc/61/38/28/406613828.db2.gz BJXSJADIKVDHJE-UHFFFAOYSA-N 0 3 308.422 2.374 20 30 DEEDHN CC(C#N)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491568452 406625912 /nfs/dbraw/zinc/62/59/12/406625912.db2.gz MINKXMDEELSNGA-UPJWGTAASA-N 0 3 309.410 2.298 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000491338310 406571423 /nfs/dbraw/zinc/57/14/23/406571423.db2.gz HTQUERZKGQOBEA-UHFFFAOYSA-N 0 3 322.355 2.249 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(CN(C)C)cc2F)CC1 ZINC000491338127 406571436 /nfs/dbraw/zinc/57/14/36/406571436.db2.gz GIJPVHAYYBESIT-UHFFFAOYSA-N 0 3 317.408 2.171 20 30 DEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C ZINC000491351462 406574043 /nfs/dbraw/zinc/57/40/43/406574043.db2.gz UJWBMTMINIRTAH-SJORKVTESA-N 0 3 313.445 2.458 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CSc3ccccc32)CC1 ZINC000491426849 406591674 /nfs/dbraw/zinc/59/16/74/406591674.db2.gz IAESLRIRLADJNG-OAHLLOKOSA-N 0 3 314.454 2.337 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000551948005 406657524 /nfs/dbraw/zinc/65/75/24/406657524.db2.gz RJLINZJKDVBWEI-LBPRGKRZSA-N 0 3 302.378 2.125 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000491669486 406659779 /nfs/dbraw/zinc/65/97/79/406659779.db2.gz UJFOCRKXSGRPIT-QWHCGFSZSA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1csc(-c2ccoc2)n1 ZINC000491672922 406661246 /nfs/dbraw/zinc/66/12/46/406661246.db2.gz ZIBWHVMJOQYORG-UHFFFAOYSA-N 0 3 303.387 2.088 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000491675279 406663138 /nfs/dbraw/zinc/66/31/38/406663138.db2.gz WYFZEDUPGNQHSP-UHFFFAOYSA-N 0 3 301.434 2.400 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000491697793 406675625 /nfs/dbraw/zinc/67/56/25/406675625.db2.gz AOSVQBUEJLEQAR-MAUKXSAKSA-N 0 3 313.445 2.486 20 30 DEEDHN C#CCN1CCC(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000491712258 406683502 /nfs/dbraw/zinc/68/35/02/406683502.db2.gz WSZKIDNWICJCAT-GJZGRUSLSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@@H](SCC)C1 ZINC000491717561 406687026 /nfs/dbraw/zinc/68/70/26/406687026.db2.gz RCBPSQDJGWGURY-HUUCEWRRSA-N 0 3 311.495 2.305 20 30 DEEDHN C#C[C@@H](NC(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccc(Cl)cc1 ZINC000491723236 406688054 /nfs/dbraw/zinc/68/80/54/406688054.db2.gz AUUOYARUCXGRHK-BMFZPTHFSA-N 0 3 317.820 2.360 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000491626869 406638757 /nfs/dbraw/zinc/63/87/57/406638757.db2.gz JEVHQVFOKCBLSB-QWHCGFSZSA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(F)cc1C ZINC000491810901 406731822 /nfs/dbraw/zinc/73/18/22/406731822.db2.gz AOCQYANTUDFCHX-UHFFFAOYSA-N 0 3 305.397 2.231 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000572814266 406742472 /nfs/dbraw/zinc/74/24/72/406742472.db2.gz UTKHRUOMYGMRQZ-JONQDZQNSA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)n1cc(CNC2CCCC2)nn1 ZINC000640923860 406742831 /nfs/dbraw/zinc/74/28/31/406742831.db2.gz OLASEJPNROPLCH-CQSZACIVSA-N 0 3 319.453 2.296 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)n1cc(CNC2CCCC2)nn1 ZINC000640923859 406743255 /nfs/dbraw/zinc/74/32/55/406743255.db2.gz OLASEJPNROPLCH-AWEZNQCLSA-N 0 3 319.453 2.296 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000491803116 406727878 /nfs/dbraw/zinc/72/78/78/406727878.db2.gz IIRNBKCLOBUKQX-AFAVFJNCSA-N 0 3 315.392 2.282 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000573589317 406775176 /nfs/dbraw/zinc/77/51/76/406775176.db2.gz BLNOYCHDBSSDND-USXIJHARSA-N 0 3 306.450 2.300 20 30 DEEDHN CCCNC(=O)CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000574617673 406785464 /nfs/dbraw/zinc/78/54/64/406785464.db2.gz LVELIJCMOJCAJB-UHFFFAOYSA-N 0 3 314.433 2.245 20 30 DEEDHN CC#CC[C@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000641768604 406888341 /nfs/dbraw/zinc/88/83/41/406888341.db2.gz DFIDIYQMCNZQAQ-CYBMUJFWSA-N 0 3 301.308 2.492 20 30 DEEDHN C=CCc1ccc(OCC(=O)N2CCNCC2(C)C)c(OC)c1 ZINC000644074019 407081674 /nfs/dbraw/zinc/08/16/74/407081674.db2.gz WZQBQXIZNRVULX-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN C=C(C)COc1cc(CNC2COCCOC2)ccc1OC ZINC000644424562 407125884 /nfs/dbraw/zinc/12/58/84/407125884.db2.gz LECOQFZTJAOSLI-UHFFFAOYSA-N 0 3 307.390 2.155 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644805212 407192856 /nfs/dbraw/zinc/19/28/56/407192856.db2.gz RWZVOBXHIPSBFT-ZWKOTPCHSA-N 0 3 314.429 2.312 20 30 DEEDHN N#Cc1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc1F ZINC000571404862 292547597 /nfs/dbraw/zinc/54/75/97/292547597.db2.gz YELMGJVPSWFXLE-HNNXBMFYSA-N 0 3 316.380 2.077 20 30 DEEDHN Cc1noc(C(C)C)c1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000330423315 226003744 /nfs/dbraw/zinc/00/37/44/226003744.db2.gz QVPQGCAPLDUYGM-UHFFFAOYSA-N 0 3 322.453 2.437 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)N2CC[C@H](CCO)C2)N(C)C)cc1 ZINC000330942502 226045096 /nfs/dbraw/zinc/04/50/96/226045096.db2.gz ZQEQLNSWYDXHNX-WBVHZDCISA-N 0 3 319.449 2.216 20 30 DEEDHN Cc1c(CNC(=O)N2CCC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000331085619 226058069 /nfs/dbraw/zinc/05/80/69/226058069.db2.gz CPAOBEWQCJQALK-CQSZACIVSA-N 0 3 320.393 2.343 20 30 DEEDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000331099998 226060257 /nfs/dbraw/zinc/06/02/57/226060257.db2.gz OECPROGDTHQNRG-AWEZNQCLSA-N 0 3 324.406 2.040 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnc(N(C)C)cn1 ZINC000330625099 226019208 /nfs/dbraw/zinc/01/92/08/226019208.db2.gz SOPRXDBPFLNZIQ-HZSPNIEDSA-N 0 3 319.453 2.214 20 30 DEEDHN Cn1cnnc1[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000339361186 226186183 /nfs/dbraw/zinc/18/61/83/226186183.db2.gz ZWAGGNQKUMGRFA-HZPDHXFCSA-N 0 3 323.400 2.251 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000345658551 226603564 /nfs/dbraw/zinc/60/35/64/226603564.db2.gz PCZNVCLSTSNQBE-OALUTQOASA-N 0 3 322.408 2.479 20 30 DEEDHN C[C@H]1C[C@@H](c2cccnc2)N(CCC(=O)N(C)CCC#N)C1 ZINC000376556344 227171527 /nfs/dbraw/zinc/17/15/27/227171527.db2.gz YQTDVYRMKWODKJ-HOCLYGCPSA-N 0 3 300.406 2.227 20 30 DEEDHN Cc1nc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1C#N ZINC000488100043 421070498 /nfs/dbraw/zinc/07/04/98/421070498.db2.gz SCTIZXOSIIDXSR-QZTJIDSGSA-N 0 3 322.412 2.309 20 30 DEEDHN Cc1cc(NC(=O)N[C@H](C)CN2CCCCC2)ncc1C#N ZINC000603122099 422448745 /nfs/dbraw/zinc/44/87/45/422448745.db2.gz ZZCXBPGBSCWFEW-CYBMUJFWSA-N 0 3 301.394 2.258 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000602261998 422432491 /nfs/dbraw/zinc/43/24/91/422432491.db2.gz SDVXNHULCIFTSN-MRXNPFEDSA-N 0 3 306.369 2.414 20 30 DEEDHN CN1CCC[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000358956533 424824989 /nfs/dbraw/zinc/82/49/89/424824989.db2.gz SMRSMCYQDIMEFZ-CQSZACIVSA-N 0 3 323.444 2.990 20 30 DEEDHN CC(C)n1ccc(NC(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000331219200 424913750 /nfs/dbraw/zinc/91/37/50/424913750.db2.gz AKPPDJNTUKSCEV-UHFFFAOYSA-N 0 3 307.442 3.054 20 30 DEEDHN C=CCC(CC=C)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373295633 424886759 /nfs/dbraw/zinc/88/67/59/424886759.db2.gz WTTXHQGSSHYINW-UHFFFAOYSA-N 0 3 302.422 2.857 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000594463922 425012379 /nfs/dbraw/zinc/01/23/79/425012379.db2.gz LKKMWAIZEIHPTM-HNNXBMFYSA-N 0 3 317.437 2.882 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000660700058 425210684 /nfs/dbraw/zinc/21/06/84/425210684.db2.gz IZUNHJCXOPMQSW-HZPDHXFCSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664078294 425303119 /nfs/dbraw/zinc/30/31/19/425303119.db2.gz JSUICHOYGQCIRL-INIZCTEOSA-N 0 3 317.433 2.487 20 30 DEEDHN CCn1cc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000527455709 267252505 /nfs/dbraw/zinc/25/25/05/267252505.db2.gz BTXBAQZVGSXSEC-QGZVFWFLSA-N 0 3 321.384 2.116 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)CCN1CCCCC1 ZINC000652990998 425374934 /nfs/dbraw/zinc/37/49/34/425374934.db2.gz MFIKXJGKFZFIKA-UHFFFAOYSA-N 0 3 303.406 2.204 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654554184 425379067 /nfs/dbraw/zinc/37/90/67/425379067.db2.gz VUGQLRUDAINSDR-NCOADZHNSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000664759323 425449716 /nfs/dbraw/zinc/44/97/16/425449716.db2.gz SZMBXNLKZJKKOX-DLBZAZTESA-N 0 3 323.481 2.485 20 30 DEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNCCO2)[C@H](C)COC ZINC000659021333 425521839 /nfs/dbraw/zinc/52/18/39/425521839.db2.gz FXFOTWDQQZYPBZ-CYBMUJFWSA-N 0 3 319.405 2.223 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCOC)CCN(C)C ZINC000665394947 425561668 /nfs/dbraw/zinc/56/16/68/425561668.db2.gz XWTTUJDFQRKFEO-HOTGVXAUSA-N 0 3 311.470 2.341 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000660336985 425796455 /nfs/dbraw/zinc/79/64/55/425796455.db2.gz QWPDDMDVSCYMAB-QGZVFWFLSA-N 0 3 322.497 2.012 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c(F)c1 ZINC000370860688 269087355 /nfs/dbraw/zinc/08/73/55/269087355.db2.gz JUURCGZERFMJNX-ROUUACIJSA-N 0 3 317.408 2.430 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2cncc(C#N)n2)C1 ZINC000401326245 269111862 /nfs/dbraw/zinc/11/18/62/269111862.db2.gz NKSBLZCIALVOHK-HNNXBMFYSA-N 0 3 307.401 2.307 20 30 DEEDHN CC[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000517024777 269374853 /nfs/dbraw/zinc/37/48/53/269374853.db2.gz CQKPUJHOTQOMQL-DZGCQCFKSA-N 0 3 321.446 2.285 20 30 DEEDHN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000329804629 276006193 /nfs/dbraw/zinc/00/61/93/276006193.db2.gz KGNMEVHTAQLUPJ-OZVIIMIRSA-N 0 3 322.409 2.240 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000424745849 276855717 /nfs/dbraw/zinc/85/57/17/276855717.db2.gz KIMYQBLHMKIKTI-CVEARBPZSA-N 0 3 307.482 2.073 20 30 DEEDHN CN1CCN(c2cccc(Cl)c2CNCCCC#N)CC1 ZINC000273026346 277113151 /nfs/dbraw/zinc/11/31/51/277113151.db2.gz FNBJUELWYUQXTA-UHFFFAOYSA-N 0 3 306.841 2.485 20 30 DEEDHN C=CCc1cc(CN[C@@H]2CCC[C@@H]2C(=O)NC)cc(OC)c1O ZINC000345818323 277892070 /nfs/dbraw/zinc/89/20/70/277892070.db2.gz OXEYKLKHPSTRHM-LSDHHAIUSA-N 0 3 318.417 2.134 20 30 DEEDHN CS[C@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1N1CCCC1 ZINC000425246768 278167699 /nfs/dbraw/zinc/16/76/99/278167699.db2.gz WTYBLOQUNWSENC-HOTGVXAUSA-N 0 3 302.447 2.278 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@]2(C)CCO[C@@H]2C)c(C#N)c1C ZINC000494271396 279273977 /nfs/dbraw/zinc/27/39/77/279273977.db2.gz PRAFSUIXCVLBNJ-KANYHAFZSA-N 0 3 305.378 2.252 20 30 DEEDHN C[C@H](CNC(=O)NCC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000419466424 279334557 /nfs/dbraw/zinc/33/45/57/279334557.db2.gz VWZYUDSDFVSJPS-OAHLLOKOSA-N 0 3 314.433 2.500 20 30 DEEDHN CC(C)[C@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)N1CCCC1=O ZINC000329269708 280133576 /nfs/dbraw/zinc/13/35/76/280133576.db2.gz FHETWAIKVFCPIO-XJKSGUPXSA-N 0 3 307.438 2.240 20 30 DEEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CSCC#N ZINC000280133859 281099089 /nfs/dbraw/zinc/09/90/89/281099089.db2.gz ZJYNPROXKPJPFD-HOCLYGCPSA-N 0 3 315.442 2.386 20 30 DEEDHN N#Cc1cccc(CNC[C@H](O)COCc2cccs2)c1 ZINC000037749262 281428856 /nfs/dbraw/zinc/42/88/56/281428856.db2.gz NOGNPFDESIFPRB-HNNXBMFYSA-N 0 3 302.399 2.287 20 30 DEEDHN Cc1nc(C(=O)N(CCN(C)C)Cc2ccccc2)ccc1C#N ZINC000073805973 281546814 /nfs/dbraw/zinc/54/68/14/281546814.db2.gz YQVWVRVNAMRUFO-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN CN(C)[C@@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccccc1 ZINC000457417641 289279468 /nfs/dbraw/zinc/27/94/68/289279468.db2.gz IADLXEFCVQMRAQ-HNNXBMFYSA-N 0 3 302.422 2.480 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)CCN1C ZINC000328728641 297320200 /nfs/dbraw/zinc/32/02/00/297320200.db2.gz DYKMXZBMXCVECG-JHJVBQTASA-N 0 3 308.426 2.014 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H]1C ZINC001088962165 782082458 /nfs/dbraw/zinc/08/24/58/782082458.db2.gz PVSCBMCAOYTBRE-KDOFPFPSSA-N 0 3 307.397 2.451 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H](OC)C(C)C ZINC001368920267 1148768913 /nfs/dbraw/zinc/76/89/13/1148768913.db2.gz UZCSNKHKOAHPAO-CYBMUJFWSA-N 0 3 304.862 2.484 20 30 DEEDHN CN(C)Cc1cccc(NCc2cnc3c(C#N)cnn3c2)c1 ZINC000574341749 326146415 /nfs/dbraw/zinc/14/64/15/326146415.db2.gz AEFVJFBOYICFGW-UHFFFAOYSA-N 0 3 306.373 2.275 20 30 DEEDHN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000576565189 326302192 /nfs/dbraw/zinc/30/21/92/326302192.db2.gz JBOWMLXZINISDM-JEBQAFNWSA-N 0 3 309.413 2.428 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2OC)CC1 ZINC000255613404 331778643 /nfs/dbraw/zinc/77/86/43/331778643.db2.gz SDZCBKFTPZLZNA-HJWRWDBZSA-N 0 3 300.402 2.475 20 30 DEEDHN N#CC1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000569181764 331831149 /nfs/dbraw/zinc/83/11/49/331831149.db2.gz AHOIOXXFOPIAKF-UHFFFAOYSA-N 0 3 304.438 2.198 20 30 DEEDHN COc1ccccc1[C@H](CO)NCCCC1(C#N)CCOCC1 ZINC000531151070 332983877 /nfs/dbraw/zinc/98/38/77/332983877.db2.gz FYUHBXIINJCVPC-INIZCTEOSA-N 0 3 318.417 2.419 20 30 DEEDHN CN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1(C#N)CCC1 ZINC000580345872 335125377 /nfs/dbraw/zinc/12/53/77/335125377.db2.gz DNQZVAGFWBDKCQ-MRXNPFEDSA-N 0 3 312.417 2.198 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H](CO)CC3CCCCC3)cnc12 ZINC000582063341 333194902 /nfs/dbraw/zinc/19/49/02/333194902.db2.gz YBKJOTOWXOPJEO-MRXNPFEDSA-N 0 3 313.405 2.022 20 30 DEEDHN CN1CCC(NN=C2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000497314360 333234770 /nfs/dbraw/zinc/23/47/70/333234770.db2.gz NIXOWQMHVVVKIJ-ZDUSSCGKSA-N 0 3 310.442 2.103 20 30 DEEDHN N#CCCn1cc(CNCCN2CCC2)c(-c2ccccc2)n1 ZINC000344842585 335279329 /nfs/dbraw/zinc/27/93/29/335279329.db2.gz DHLALZWUSOZWAX-UHFFFAOYSA-N 0 3 309.417 2.259 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(OC)C1)C(C)C ZINC000345480204 335328822 /nfs/dbraw/zinc/32/88/22/335328822.db2.gz OKUAJOLTLNRNNZ-OAHLLOKOSA-N 0 3 309.454 2.115 20 30 DEEDHN CN(Cc1ccc(Br)o1)C(=O)[C@@H](N)CCCC#N ZINC000519173075 335811843 /nfs/dbraw/zinc/81/18/43/335811843.db2.gz HCUJKQWXNZADKQ-JTQLQIEISA-N 0 3 314.183 2.022 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)oc1C ZINC000396530859 336282437 /nfs/dbraw/zinc/28/24/37/336282437.db2.gz NJGRNQBEAWTEMR-UHFFFAOYSA-N 0 3 313.195 2.035 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)[C@H]1C ZINC001088995373 782104030 /nfs/dbraw/zinc/10/40/30/782104030.db2.gz OGJHDLZBZIBQTO-KGLIPLIRSA-N 0 3 311.385 2.352 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncncc1C#N ZINC000398174764 337308124 /nfs/dbraw/zinc/30/81/24/337308124.db2.gz VOBZLEFJGLHFRD-PBHICJAKSA-N 0 3 307.401 2.093 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000424164391 337788632 /nfs/dbraw/zinc/78/86/32/337788632.db2.gz CFKMGBIGLWFWFJ-RISCZKNCSA-N 0 3 307.344 2.302 20 30 DEEDHN CC(C)(C#N)CCN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000537366292 337932810 /nfs/dbraw/zinc/93/28/10/337932810.db2.gz NKOKAYKOJNDZCX-UHFFFAOYSA-N 0 3 305.344 2.317 20 30 DEEDHN N#CC1(CNC2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000515963167 338001583 /nfs/dbraw/zinc/00/15/83/338001583.db2.gz MCZNTYMDAKCLCQ-UHFFFAOYSA-N 0 3 323.396 2.487 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](O)(CC)C1)C(C)C ZINC000429937592 338092447 /nfs/dbraw/zinc/09/24/47/338092447.db2.gz CLVWSXYDLBBKOP-FUHWJXTLSA-N 0 3 323.481 2.241 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCOCCC#N)[C@@H]2C1 ZINC000496241327 340001347 /nfs/dbraw/zinc/00/13/47/340001347.db2.gz BQCDHNLQOZCVGD-LSDHHAIUSA-N 0 3 323.437 2.248 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000496435786 340005365 /nfs/dbraw/zinc/00/53/65/340005365.db2.gz JZBISLXOOAXECE-DGCLKSJQSA-N 0 3 309.410 2.346 20 30 DEEDHN C[C@@H](C#N)OCCN(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496466968 340005988 /nfs/dbraw/zinc/00/59/88/340005988.db2.gz CWERVXKJPMHYMP-JSGCOSHPSA-N 0 3 311.426 2.150 20 30 DEEDHN COCCN(CCN[C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496619139 340009028 /nfs/dbraw/zinc/00/90/28/340009028.db2.gz WWPJAZJAMJEFSC-UONOGXRCSA-N 0 3 311.426 2.152 20 30 DEEDHN CN(CCOCCC#N)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000497048588 340018987 /nfs/dbraw/zinc/01/89/87/340018987.db2.gz VLSJHLIYGKTCMB-UHFFFAOYSA-N 0 3 311.426 2.296 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497056873 340019187 /nfs/dbraw/zinc/01/91/87/340019187.db2.gz MDNIIGNMIBXEJB-FVCCEPFGSA-N 0 3 309.410 2.296 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503515094 340129540 /nfs/dbraw/zinc/12/95/40/340129540.db2.gz CZFWKSUCOHQKEN-RTWAVKEYSA-N 0 3 317.380 2.179 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000248427789 341377529 /nfs/dbraw/zinc/37/75/29/341377529.db2.gz AKIIPDHTRLNLHP-HZPDHXFCSA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000248462147 341378307 /nfs/dbraw/zinc/37/83/07/341378307.db2.gz XZDKPOPQIJAJJB-IIAWOOMASA-N 0 3 300.406 2.108 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](CC)N(C)C)cc(OC)c1OC ZINC000157197892 341634471 /nfs/dbraw/zinc/63/44/71/341634471.db2.gz QLPSGVVMAWWPPZ-HNNXBMFYSA-N 0 3 320.433 2.389 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000577723192 341931838 /nfs/dbraw/zinc/93/18/38/341931838.db2.gz JNQPKZJJWPGENK-MRXNPFEDSA-N 0 3 307.482 2.216 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001356993881 1152204298 /nfs/dbraw/zinc/20/42/98/1152204298.db2.gz JLARWDUNJKMPOH-OAHLLOKOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001357026947 1152219619 /nfs/dbraw/zinc/21/96/19/1152219619.db2.gz JMCLUKTVVPDGDT-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001397146547 1160017573 /nfs/dbraw/zinc/01/75/73/1160017573.db2.gz WEHZTKOSYNGWLK-JOCQHMNTSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CNC[C@H](CCCC)NC(=O)[C@H]1CCCCN1C ZINC001378444503 1152331527 /nfs/dbraw/zinc/33/15/27/1152331527.db2.gz NADRFJMXKVTGLE-LSDHHAIUSA-N 0 3 315.889 2.488 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)Cc2ccccc2F)C1 ZINC001330075794 1149046306 /nfs/dbraw/zinc/04/63/06/1149046306.db2.gz XASXHUPOUGZJLG-CQSZACIVSA-N 0 3 320.408 2.007 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCc2cc(C)on2)C1 ZINC001369574546 1149047743 /nfs/dbraw/zinc/04/77/43/1149047743.db2.gz NCBRBDCRWMNEBX-UHFFFAOYSA-N 0 3 311.813 2.247 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)Cc1ccoc1 ZINC001378768916 1152440668 /nfs/dbraw/zinc/44/06/68/1152440668.db2.gz ZASSWQPFLVHEBS-GFCCVEGCSA-N 0 3 317.414 2.392 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COC2CCC(C)CC2)C(C)(C)C1 ZINC001330263301 1149082679 /nfs/dbraw/zinc/08/26/79/1149082679.db2.gz SDWSYHUCRFUKGY-OFLPRAFFSA-N 0 3 320.477 2.432 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCC#Cc1ccccc1 ZINC000338330876 533830829 /nfs/dbraw/zinc/83/08/29/533830829.db2.gz PEGCLXJRIJIQNH-IRXDYDNUSA-N 0 3 313.445 2.458 20 30 DEEDHN Cn1ncc(C2CCC2)c1CNCCNc1ncccc1C#N ZINC001330284430 1149086026 /nfs/dbraw/zinc/08/60/26/1149086026.db2.gz RYKMPNDVCDCRPN-UHFFFAOYSA-N 0 3 310.405 2.156 20 30 DEEDHN C=CCCC[NH2+]C1(CC)CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001327455323 1148559818 /nfs/dbraw/zinc/55/98/18/1148559818.db2.gz MCUWNQOJJDCLMT-UHFFFAOYSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CCCC(=O)N[C@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001358784047 1152480635 /nfs/dbraw/zinc/48/06/35/1152480635.db2.gz RANKCHWSJZSUHF-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000451677528 534572732 /nfs/dbraw/zinc/57/27/32/534572732.db2.gz UVSYWHMEGAYPQW-SJORKVTESA-N 0 3 313.401 2.256 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CCO)CCCCC1 ZINC000452381460 534588316 /nfs/dbraw/zinc/58/83/16/534588316.db2.gz VVKYDSQGRAEQNT-INIZCTEOSA-N 0 3 308.466 2.476 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)Cc1ccc(CC)cc1 ZINC000451599018 534607585 /nfs/dbraw/zinc/60/75/85/534607585.db2.gz MSBPCFDKCKFYJG-SJORKVTESA-N 0 3 302.418 2.141 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000451600177 534610783 /nfs/dbraw/zinc/61/07/83/534610783.db2.gz QJBUKOLJFSWOII-XNISGKROSA-N 0 3 318.417 2.194 20 30 DEEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000106883563 522676229 /nfs/dbraw/zinc/67/62/29/522676229.db2.gz LGNXFIMPKZVRNB-CYBMUJFWSA-N 0 3 307.781 2.261 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000442836366 534755331 /nfs/dbraw/zinc/75/53/31/534755331.db2.gz HABMVBVFOHEIMS-LSDHHAIUSA-N 0 3 319.430 2.008 20 30 DEEDHN C=CCN(CCOC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191129822 526300702 /nfs/dbraw/zinc/30/07/02/526300702.db2.gz QPYWWNOTHFHNJI-UHFFFAOYSA-N 0 3 321.377 2.366 20 30 DEEDHN C=CCN(CCOC)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000189424799 526301275 /nfs/dbraw/zinc/30/12/75/526301275.db2.gz VIZQNVIMVGSUMR-INIZCTEOSA-N 0 3 317.433 2.148 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2Cc3ccccc3C2)CC1 ZINC000344000603 526431760 /nfs/dbraw/zinc/43/17/60/526431760.db2.gz VMINOQMQAZGTRN-UHFFFAOYSA-N 0 3 313.445 2.351 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOc2ccccc2C)CC1 ZINC000171721193 526433511 /nfs/dbraw/zinc/43/35/11/526433511.db2.gz JAFCODBBZKHSHS-UHFFFAOYSA-N 0 3 317.433 2.323 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(OC)CC2)CC1 ZINC000340970169 526584950 /nfs/dbraw/zinc/58/49/50/526584950.db2.gz FJSVEWJBUOSIOG-UHFFFAOYSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000332323113 526586237 /nfs/dbraw/zinc/58/62/37/526586237.db2.gz MPOUZLNPBSQURK-INIZCTEOSA-N 0 3 323.481 2.219 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000368913632 526723682 /nfs/dbraw/zinc/72/36/82/526723682.db2.gz LWEGGHJRSXCWEA-QGZVFWFLSA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCN(C(=O)CC1(N2CCOCC2)CCCC1)C1CCCC1 ZINC000370369287 526762559 /nfs/dbraw/zinc/76/25/59/526762559.db2.gz CQXLBCVWZIWEAV-UHFFFAOYSA-N 0 3 318.461 2.426 20 30 DEEDHN C=CCOCCN(CCO)Cc1cccc(Br)c1 ZINC000339132723 526769519 /nfs/dbraw/zinc/76/95/19/526769519.db2.gz IYTDDRUOJROIOU-UHFFFAOYSA-N 0 3 314.223 2.446 20 30 DEEDHN C=CCOCCN[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000339063978 526783729 /nfs/dbraw/zinc/78/37/29/526783729.db2.gz MDMUHHZWIUIGLH-GOSISDBHSA-N 0 3 304.434 2.161 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000418169863 526876882 /nfs/dbraw/zinc/87/68/82/526876882.db2.gz QNNJAPNVIOOGNC-UONOGXRCSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000295745347 526946096 /nfs/dbraw/zinc/94/60/96/526946096.db2.gz YVSWAHZDINKJLO-QGZVFWFLSA-N 0 3 316.445 2.472 20 30 DEEDHN C=CCOc1ccccc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422912923 526952469 /nfs/dbraw/zinc/95/24/69/526952469.db2.gz XKDYRZKAODZYJR-ZWKOTPCHSA-N 0 3 302.418 2.108 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC1CCN(C2CC2)CC1 ZINC000341421264 526960622 /nfs/dbraw/zinc/96/06/22/526960622.db2.gz PXQCHFOGSALULV-UHFFFAOYSA-N 0 3 301.390 2.003 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000295907511 527078969 /nfs/dbraw/zinc/07/89/69/527078969.db2.gz QXLMHSWVDLPHPF-IAGOWNOFSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CC[C@H](NC[C@@H](O)COCC(F)(F)F)c1ccccc1 ZINC000292806865 527175626 /nfs/dbraw/zinc/17/56/26/527175626.db2.gz BYCIRBRRYFCGNN-KGLIPLIRSA-N 0 3 301.308 2.280 20 30 DEEDHN C=CCCCNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000419051757 527206292 /nfs/dbraw/zinc/20/62/92/527206292.db2.gz GCMGSKJOCYQWBA-MRXNPFEDSA-N 0 3 317.433 2.008 20 30 DEEDHN C=CCc1cc(CN[C@@H](CO)CC(F)F)cc(OC)c1O ZINC000428638225 527243694 /nfs/dbraw/zinc/24/36/94/527243694.db2.gz FUTNBCOPMQJYHE-GFCCVEGCSA-N 0 3 301.333 2.235 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440977624 527265625 /nfs/dbraw/zinc/26/56/25/527265625.db2.gz AZDJKPCXKADOMQ-OAHLLOKOSA-N 0 3 310.486 2.056 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440977623 527290305 /nfs/dbraw/zinc/29/03/05/527290305.db2.gz AZDJKPCXKADOMQ-HNNXBMFYSA-N 0 3 310.486 2.056 20 30 DEEDHN C=CCCS(=O)(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000194762211 527419378 /nfs/dbraw/zinc/41/93/78/527419378.db2.gz XKBHEWUZGOKRBG-MRXNPFEDSA-N 0 3 304.415 2.335 20 30 DEEDHN C=CCC[C@@H](O)CN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338316736 527453805 /nfs/dbraw/zinc/45/38/05/527453805.db2.gz AAWKLQBLSOAUDD-OAHLLOKOSA-N 0 3 310.463 2.322 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@H](C)N(C[C@@H](O)CCC=C)C[C@H]1C ZINC000441907528 527458078 /nfs/dbraw/zinc/45/80/78/527458078.db2.gz WKRROVYKPASSTP-USTZCAOPSA-N 0 3 310.482 2.035 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCc1ccncc1OCCN(C)C ZINC000345301073 527522554 /nfs/dbraw/zinc/52/25/54/527522554.db2.gz POQSFRSMPJRKMC-KRWDZBQOSA-N 0 3 305.422 2.241 20 30 DEEDHN C=C[C@H](C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429003658 527560514 /nfs/dbraw/zinc/56/05/14/527560514.db2.gz DCVGVLPVZJMJHN-DOTOQJQBSA-N 0 3 317.433 2.151 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@H]2CCOC2)CC1 ZINC000368234145 527631942 /nfs/dbraw/zinc/63/19/42/527631942.db2.gz JFLNEZKPUCVDGM-RDJZCZTQSA-N 0 3 306.450 2.324 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1cncnc1)C(C)C ZINC000292344869 527648592 /nfs/dbraw/zinc/64/85/92/527648592.db2.gz YIJPCJRLCUHSAE-QGZVFWFLSA-N 0 3 316.449 2.224 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncnc2c1cnn2C)C(C)C ZINC000192828730 527650695 /nfs/dbraw/zinc/65/06/95/527650695.db2.gz CKEFCPYWTUFYBC-OAHLLOKOSA-N 0 3 314.437 2.474 20 30 DEEDHN CC(C)NS(=O)(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442711485 527760468 /nfs/dbraw/zinc/76/04/68/527760468.db2.gz DWFLANLBMMFFGD-ZFWWWQNUSA-N 0 3 321.446 2.155 20 30 DEEDHN CCC(O)(CC)CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000330992306 528955594 /nfs/dbraw/zinc/95/55/94/528955594.db2.gz KWSKPLAGJBJJAO-UHFFFAOYSA-N 0 3 311.470 2.402 20 30 DEEDHN CN(C)CCOC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000357267377 535893092 /nfs/dbraw/zinc/89/30/92/535893092.db2.gz WJKWWVIUKOHELM-UHFFFAOYSA-N 0 3 318.377 2.013 20 30 DEEDHN CN(C)CCOc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190907219 535915394 /nfs/dbraw/zinc/91/53/94/535915394.db2.gz CGSOIUCDAHYJQP-UHFFFAOYSA-N 0 3 312.417 2.127 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1nn(C)cc1Cl)C(C)C ZINC001378956488 1152505216 /nfs/dbraw/zinc/50/52/16/1152505216.db2.gz UJNUJTXOROFZDR-NSHDSACASA-N 0 3 319.236 2.170 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)c2ccncc2)C1 ZINC001368801304 1148673514 /nfs/dbraw/zinc/67/35/14/1148673514.db2.gz NLFADSPXTSVHIB-UHFFFAOYSA-N 0 3 324.222 2.088 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001379344680 1152612269 /nfs/dbraw/zinc/61/22/69/1152612269.db2.gz NRPTYUBJNMUXQB-MLGOLLRUSA-N 0 3 321.396 2.107 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001379416395 1152621032 /nfs/dbraw/zinc/62/10/32/1152621032.db2.gz AZGDUUGEUSJFEF-IAQYHMDHSA-N 0 3 309.360 2.286 20 30 DEEDHN C=C(C)C[N@H+](CC)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735398497 598979992 /nfs/dbraw/zinc/97/99/92/598979992.db2.gz HTJMBDPWBJNMDW-UHFFFAOYSA-N 0 3 317.393 2.152 20 30 DEEDHN C=C(C)C[N@@H+](CC)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735398497 598979994 /nfs/dbraw/zinc/97/99/94/598979994.db2.gz HTJMBDPWBJNMDW-UHFFFAOYSA-N 0 3 317.393 2.152 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001368824371 1148691557 /nfs/dbraw/zinc/69/15/57/1148691557.db2.gz YDYYZFXIBBRKIW-UHFFFAOYSA-N 0 3 323.824 2.200 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cccn1C ZINC001379634989 1152659606 /nfs/dbraw/zinc/65/96/06/1152659606.db2.gz WBANDQUJYNYOPK-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN Cc1oncc1CNC[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001330599034 1149207531 /nfs/dbraw/zinc/20/75/31/1149207531.db2.gz HESVUUTZDFORLW-CTYIDZIISA-N 0 3 303.406 2.017 20 30 DEEDHN C=C(C)COCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823878443 609152271 /nfs/dbraw/zinc/15/22/71/609152271.db2.gz ZGEACLGTZZMAKZ-NSHDSACASA-N 0 3 305.357 2.249 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001355380137 1152007236 /nfs/dbraw/zinc/00/72/36/1152007236.db2.gz TUIJPIQKBXHIGO-KRWDZBQOSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(OC)no1 ZINC001025224070 625284909 /nfs/dbraw/zinc/28/49/09/625284909.db2.gz LDLFOOLAXADRCG-KBPBESRZSA-N 0 3 319.405 2.328 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccncc1C ZINC001025231327 625290953 /nfs/dbraw/zinc/29/09/53/625290953.db2.gz HHHKWNUNHFFYOZ-ROUUACIJSA-N 0 3 311.429 2.482 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001023484903 625291400 /nfs/dbraw/zinc/29/14/00/625291400.db2.gz VUSLTTCLXQWCJI-CQSZACIVSA-N 0 3 317.433 2.437 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2c(C)onc2C2CC2)C1 ZINC001023492921 625297833 /nfs/dbraw/zinc/29/78/33/625297833.db2.gz IKFTVSGMVAKEHD-CYBMUJFWSA-N 0 3 303.406 2.488 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CCOCC1 ZINC001025276239 625321142 /nfs/dbraw/zinc/32/11/42/625321142.db2.gz HNVMFTXOWRQMAE-DLBZAZTESA-N 0 3 318.461 2.282 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972589552 625322892 /nfs/dbraw/zinc/32/28/92/625322892.db2.gz QAYWIULZYCTBRL-QGZVFWFLSA-N 0 3 323.396 2.427 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2nccc3ccccc32)C1 ZINC001023561668 625325958 /nfs/dbraw/zinc/32/59/58/625325958.db2.gz DXQNIXFNHAJIQK-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3cccnc3c2)C1 ZINC001023658095 625376215 /nfs/dbraw/zinc/37/62/15/625376215.db2.gz DONQSUYDECJNMI-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2oc(C)nc2C)C1 ZINC001025376276 625390604 /nfs/dbraw/zinc/39/06/04/625390604.db2.gz WGACUYITBGRMOJ-DOMZBBRYSA-N 0 3 303.406 2.145 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)sn2)C1 ZINC001025387764 625396536 /nfs/dbraw/zinc/39/65/36/625396536.db2.gz CMTFSAARVZRCIA-ZIAGYGMSSA-N 0 3 305.447 2.305 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001023727404 625404778 /nfs/dbraw/zinc/40/47/78/625404778.db2.gz ILEAWKPMJCDIEZ-CXAGYDPISA-N 0 3 316.832 2.441 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC001025440055 625437281 /nfs/dbraw/zinc/43/72/81/625437281.db2.gz PQGOGDQLZATGOF-GXTWGEPZSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(C)nn(CCC)c2C)C1 ZINC000972685646 625439569 /nfs/dbraw/zinc/43/95/69/625439569.db2.gz YZKAWVROGVZKGD-OAHLLOKOSA-N 0 3 304.438 2.242 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc3n(c2)CCCC3)C1 ZINC001023787960 625439991 /nfs/dbraw/zinc/43/99/91/625439991.db2.gz UDXLPZORLABYIE-INIZCTEOSA-N 0 3 313.445 2.290 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC001023790560 625442009 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001022183074 624493204 /nfs/dbraw/zinc/49/32/04/624493204.db2.gz HYCYIIKQQYQRGG-XJFOESAGSA-N 0 3 300.830 2.181 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccc(OC)c(C)c2)C1 ZINC000971674169 624499823 /nfs/dbraw/zinc/49/98/23/624499823.db2.gz NEWPMYADVNBLLP-OAHLLOKOSA-N 0 3 318.417 2.101 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C3CC3)nn2CC)C1 ZINC000971757228 624536739 /nfs/dbraw/zinc/53/67/39/624536739.db2.gz VTSBIOWXBNMRLC-AWEZNQCLSA-N 0 3 302.422 2.113 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4ncccc4c3)[C@@H]2C1 ZINC000978672409 634390678 /nfs/dbraw/zinc/39/06/78/634390678.db2.gz YQPMSIPVTMEDLL-NNZMDNLPSA-N 0 3 319.408 2.166 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001022298615 624568195 /nfs/dbraw/zinc/56/81/95/624568195.db2.gz LYHSQPFTKXPHMI-OKILXGFUSA-N 0 3 323.234 2.375 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc(C3CC3)s2)C1 ZINC001027655553 634395083 /nfs/dbraw/zinc/39/50/83/634395083.db2.gz 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624771318 /nfs/dbraw/zinc/77/13/18/624771318.db2.gz MSGXBLYQJSKDHH-KRWDZBQOSA-N 0 3 303.406 2.303 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC000972042460 624790869 /nfs/dbraw/zinc/79/08/69/624790869.db2.gz LRHRSGBHYFXCPJ-GFCCVEGCSA-N 0 3 301.346 2.267 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC000978734927 634409410 /nfs/dbraw/zinc/40/94/10/634409410.db2.gz LADBGSSDUKIKCU-TUVASFSCSA-N 0 3 310.388 2.129 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCc3nccnc3C)C2)CC1 ZINC001022655266 624798458 /nfs/dbraw/zinc/79/84/58/624798458.db2.gz APNWDDDXWNSHCA-IYBDPMFKSA-N 0 3 314.433 2.268 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2COC)C[C@H]1C ZINC000947492208 624844758 /nfs/dbraw/zinc/84/47/58/624844758.db2.gz HJNSOQJEYKDBLO-WBVHZDCISA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2COC)C[C@@H]1C ZINC000947492319 624845780 /nfs/dbraw/zinc/84/57/80/624845780.db2.gz IYBWEFCHJXLARL-HOCLYGCPSA-N 0 3 300.402 2.049 20 30 DEEDHN COC(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000934412920 624875710 /nfs/dbraw/zinc/87/57/10/624875710.db2.gz NERTZKHSJYWNDK-CVEARBPZSA-N 0 3 314.385 2.217 20 30 DEEDHN C#C[C@H]1CCCCN1C[C@H](O)COCc1ccccc1OC ZINC000934510510 624899149 /nfs/dbraw/zinc/89/91/49/624899149.db2.gz XGRYIKHESNZRGZ-IRXDYDNUSA-N 0 3 303.402 2.060 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cn(C)nc2C2CCCC2)C1 ZINC000972291441 624917517 /nfs/dbraw/zinc/91/75/17/624917517.db2.gz AIWWUUXXWYEUIG-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001022810263 624937833 /nfs/dbraw/zinc/93/78/33/624937833.db2.gz NDNIVNSBZALRLX-AOOOYVTPSA-N 0 3 315.204 2.041 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)COc2c(C)cccc2C)C1 ZINC001027673478 634427978 /nfs/dbraw/zinc/42/79/78/634427978.db2.gz TWAOTPURGKBNRE-KRWDZBQOSA-N 0 3 314.429 2.238 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001024753594 625036298 /nfs/dbraw/zinc/03/62/98/625036298.db2.gz AZPXRQJCBTXMOI-CQSZACIVSA-N 0 3 316.449 2.315 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001024758822 625041487 /nfs/dbraw/zinc/04/14/87/625041487.db2.gz ZFXOKMIVBKUINI-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001024788945 625058036 /nfs/dbraw/zinc/05/80/36/625058036.db2.gz PSYXBUGGZYLBIQ-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001024794633 625058730 /nfs/dbraw/zinc/05/87/30/625058730.db2.gz OXQXGDXHURKDEU-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001027677891 634431942 /nfs/dbraw/zinc/43/19/42/634431942.db2.gz FDQRKOHXIBMBRZ-IBGZPJMESA-N 0 3 310.441 2.274 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1N(C)C ZINC001024825226 625068467 /nfs/dbraw/zinc/06/84/67/625068467.db2.gz WXKAJFDRYUWCON-MRXNPFEDSA-N 0 3 313.445 2.360 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001022886967 625069355 /nfs/dbraw/zinc/06/93/55/625069355.db2.gz 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C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000972529255 625188157 /nfs/dbraw/zinc/18/81/57/625188157.db2.gz ICYUCXHCLRNYLV-KSZLIROESA-N 0 3 314.429 2.483 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)OCC2CC2)c1 ZINC000120249375 625238014 /nfs/dbraw/zinc/23/80/14/625238014.db2.gz AOFABCCAVQDKHS-NHYWBVRUSA-N 0 3 316.357 2.158 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC000998917615 634444948 /nfs/dbraw/zinc/44/49/48/634444948.db2.gz CJJSAAOUIDGYEO-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2sc(Cl)nc2C)C1 ZINC001023390068 625248699 /nfs/dbraw/zinc/24/86/99/625248699.db2.gz ATUJLYXRZFRFJC-NSHDSACASA-N 0 3 311.838 2.180 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001023397438 625253136 /nfs/dbraw/zinc/25/31/36/625253136.db2.gz IIVLSEFTQUTFSH-HOTGVXAUSA-N 0 3 316.449 2.319 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001023445056 625270497 /nfs/dbraw/zinc/27/04/97/625270497.db2.gz 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/nfs/dbraw/zinc/80/94/33/625809433.db2.gz QFISHKVRTBDIMG-CVEARBPZSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001024553227 625872967 /nfs/dbraw/zinc/87/29/67/625872967.db2.gz VVTULTZLIUWVQU-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC2CCC(OC)CC2)C1 ZINC001027704363 634461588 /nfs/dbraw/zinc/46/15/88/634461588.db2.gz OPCWTYBPOIJNOV-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001024613333 625928249 /nfs/dbraw/zinc/92/82/49/625928249.db2.gz WUJLSZALOCZDDG-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001024613333 625928251 /nfs/dbraw/zinc/92/82/51/625928251.db2.gz WUJLSZALOCZDDG-AWEZNQCLSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001024620879 625938190 /nfs/dbraw/zinc/93/81/90/625938190.db2.gz DMBPQRQAEYNZQC-IRXDYDNUSA-N 0 3 311.429 2.105 20 30 DEEDHN 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/nfs/dbraw/zinc/11/88/65/633118865.db2.gz USOOHRRDMYBTNC-OAHLLOKOSA-N 0 3 317.458 2.192 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccncc2C)C(C)(C)C1 ZINC000974603695 633169946 /nfs/dbraw/zinc/16/99/46/633169946.db2.gz NRWKWQNCYWBZQH-MRXNPFEDSA-N 0 3 301.434 2.335 20 30 DEEDHN O=C(C#CC1CC1)N1CCC(NCc2ccncc2Cl)CC1 ZINC000996383275 633252116 /nfs/dbraw/zinc/25/21/16/633252116.db2.gz IMOHTXAJWPFUIP-UHFFFAOYSA-N 0 3 317.820 2.229 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn3ccnc3c2)C(C)(C)C1 ZINC000974815233 633313702 /nfs/dbraw/zinc/31/37/02/633313702.db2.gz DNYYHVAIBSMLQI-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c[nH]c3cnccc23)C(C)(C)C1 ZINC000974953647 633379301 /nfs/dbraw/zinc/37/93/01/633379301.db2.gz IGNOWYGCWAJHNI-MRXNPFEDSA-N 0 3 312.417 2.118 20 30 DEEDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124441479 633384206 /nfs/dbraw/zinc/38/42/06/633384206.db2.gz SQVYUUXASVOEIO-FZMZJTMJSA-N 0 3 320.776 2.439 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)C(C)(C)C1 ZINC000975102982 633419798 /nfs/dbraw/zinc/41/97/98/633419798.db2.gz ROBSWSUWCJLCRW-OAHLLOKOSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3cnccc3n2)C(C)(C)C1 ZINC000975092761 633423949 /nfs/dbraw/zinc/42/39/49/633423949.db2.gz NSTVQBFMHHMHNP-QGZVFWFLSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC000996959931 633545312 /nfs/dbraw/zinc/54/53/12/633545312.db2.gz IYJLLQGUEKMPMB-SFHVURJKSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000997102088 633578513 /nfs/dbraw/zinc/57/85/13/633578513.db2.gz VEGQZHIKJFZSOS-XYVMCAHJSA-N 0 3 300.446 2.439 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2scnc2C2CC2)CC1 ZINC000997335858 633703854 /nfs/dbraw/zinc/70/38/54/633703854.db2.gz ALPWUHAEORKZFR-GFCCVEGCSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cn(C(C)C)nc2C)CC1 ZINC000997392628 633753463 /nfs/dbraw/zinc/75/34/63/633753463.db2.gz 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C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@@H](C)C1 ZINC000946418898 634048078 /nfs/dbraw/zinc/04/80/78/634048078.db2.gz JWDUCFDDQQXXKX-WCQYABFASA-N 0 3 315.373 2.160 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]nc3ccccc32)C(C)(C)C1 ZINC000977565321 634048908 /nfs/dbraw/zinc/04/89/08/634048908.db2.gz WWGIOKHYUCJOLO-HNNXBMFYSA-N 0 3 310.401 2.026 20 30 DEEDHN CC(=O)N1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2CC1 ZINC000946419114 634050715 /nfs/dbraw/zinc/05/07/15/634050715.db2.gz MMDRWOJRXHLFFY-IYBDPMFKSA-N 0 3 315.392 2.388 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001027546630 634082713 /nfs/dbraw/zinc/08/27/13/634082713.db2.gz NEBXWZCCQIJQEW-QZTJIDSGSA-N 0 3 313.445 2.377 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC23CCOCC3)C(C)(C)C1 ZINC000977669976 634094075 /nfs/dbraw/zinc/09/40/75/634094075.db2.gz JLTWSLZKAFWLJT-GJZGRUSLSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(OC)ns2)CC1 ZINC000998011573 634110056 /nfs/dbraw/zinc/11/00/56/634110056.db2.gz 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C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2CN(C/C=C/Cl)C[C@@H]12 ZINC000978168927 634233854 /nfs/dbraw/zinc/23/38/54/634233854.db2.gz QVGFMHAYBMXNMN-PPKCUQNUSA-N 0 3 324.852 2.014 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001027600308 634251379 /nfs/dbraw/zinc/25/13/79/634251379.db2.gz BMYUUMSWIPMAJK-WBVHZDCISA-N 0 3 306.450 2.280 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccccc4nc3C)[C@@H]2C1 ZINC000978248828 634255564 /nfs/dbraw/zinc/25/55/64/634255564.db2.gz RPBRKGJQTOMWMS-NNZMDNLPSA-N 0 3 319.408 2.084 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001027602294 634256693 /nfs/dbraw/zinc/25/66/93/634256693.db2.gz PPCNYTUHPOILFQ-AWEZNQCLSA-N 0 3 323.396 2.110 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c4ccccc34)[C@@H]2C1 ZINC000978431784 634311166 /nfs/dbraw/zinc/31/11/66/634311166.db2.gz FCNFQGCYVVXHNL-XGBSXSJOSA-N 0 3 307.397 2.099 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)c4cccnc34)[C@@H]2C1 ZINC000978515239 634343373 /nfs/dbraw/zinc/34/33/73/634343373.db2.gz BKYREYPOHPUENY-NNZMDNLPSA-N 0 3 319.408 2.084 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC001027877267 634847680 /nfs/dbraw/zinc/84/76/80/634847680.db2.gz GDDZLXPFAXNWEY-ZDUSSCGKSA-N 0 3 314.389 2.060 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001027931318 634995512 /nfs/dbraw/zinc/99/55/12/634995512.db2.gz CTZGCDXAUINWTI-JTQLQIEISA-N 0 3 316.327 2.199 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001027938858 635014854 /nfs/dbraw/zinc/01/48/54/635014854.db2.gz BMRBUGGGWOPPJN-WBVHZDCISA-N 0 3 313.445 2.377 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC000980552307 635041982 /nfs/dbraw/zinc/04/19/82/635041982.db2.gz AEVYHUFDDXRJGS-CQSZACIVSA-N 0 3 302.422 2.106 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001027976591 635139682 /nfs/dbraw/zinc/13/96/82/635139682.db2.gz DLBOAFBHCRZRFQ-ZDUSSCGKSA-N 0 3 313.357 2.152 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC=C 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C=CCCN1CCCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000981161976 635342498 /nfs/dbraw/zinc/34/24/98/635342498.db2.gz KUQZFQQGLJDJLC-UHFFFAOYSA-N 0 3 312.417 2.367 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001028054492 635385663 /nfs/dbraw/zinc/38/56/63/635385663.db2.gz CFLJOMFPTFAZCN-CYBMUJFWSA-N 0 3 314.389 2.220 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC001001087516 635403912 /nfs/dbraw/zinc/40/39/12/635403912.db2.gz PQIDOQPGMGPKCA-KRWDZBQOSA-N 0 3 300.377 2.400 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(OC)cccc2OC)CC1 ZINC001001402629 635478043 /nfs/dbraw/zinc/47/80/43/635478043.db2.gz WTEFAAYJDCXLKI-UHFFFAOYSA-N 0 3 316.401 2.252 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2[nH]nnc2-c2ccccc2)CC1 ZINC001001472152 635504565 /nfs/dbraw/zinc/50/45/65/635504565.db2.gz DTUZOPOGZDTJKE-UHFFFAOYSA-N 0 3 323.400 2.020 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2nc(Cl)sc2C)CC1 ZINC001001618581 635532878 /nfs/dbraw/zinc/53/28/78/635532878.db2.gz DUJCFOLPHYWVLY-UHFFFAOYSA-N 0 3 311.838 2.180 20 30 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316.810 2.262 20 30 DEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000156597763 646432135 /nfs/dbraw/zinc/43/21/35/646432135.db2.gz SWJSANKYUUSBLV-KBPBESRZSA-N 0 3 320.414 2.162 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(Cl)n(C)n3)CCC[C@H]12 ZINC000991753931 646611707 /nfs/dbraw/zinc/61/17/07/646611707.db2.gz PVQXAMDXXCTQOR-XJKSGUPXSA-N 0 3 322.840 2.376 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC000948006221 646689284 /nfs/dbraw/zinc/68/92/84/646689284.db2.gz GPVMYFNRPXEFIZ-YOEHRIQHSA-N 0 3 302.393 2.361 20 30 DEEDHN N#CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000813089021 646726554 /nfs/dbraw/zinc/72/65/54/646726554.db2.gz JHMMSOBDJFCWAL-ZDUSSCGKSA-N 0 3 303.749 2.359 20 30 DEEDHN CC(C)C[C@H](C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000813433684 646770144 /nfs/dbraw/zinc/77/01/44/646770144.db2.gz UFPBLBXDTYPYJC-ILXRZTDVSA-N 0 3 300.358 2.345 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3cncc(C)c3)CCC[C@H]12 ZINC000992026847 646833110 /nfs/dbraw/zinc/83/31/10/646833110.db2.gz 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C#CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H]1C ZINC000993817520 647749022 /nfs/dbraw/zinc/74/90/22/647749022.db2.gz BVMAOXQVLSPISF-KBPBESRZSA-N 0 3 302.422 2.139 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1C ZINC000993895803 647760125 /nfs/dbraw/zinc/76/01/25/647760125.db2.gz ATRISUGESVBQPM-TZMCWYRMSA-N 0 3 310.829 2.082 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3c(c2)COC3)[C@@H]1C ZINC000993971175 647775671 /nfs/dbraw/zinc/77/56/71/647775671.db2.gz ITQPWJNNAAXCJB-KSSFIOAISA-N 0 3 312.413 2.323 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@@H]1C ZINC000994113601 647793969 /nfs/dbraw/zinc/79/39/69/647793969.db2.gz MGVLFFLJDYKIDX-XJKSGUPXSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c3ccccc3nn2C)[C@H]1C ZINC000994147126 647794398 /nfs/dbraw/zinc/79/43/98/647794398.db2.gz NOXSUEKTXUIIOH-ZBFHGGJFSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1C ZINC000994169011 647799665 /nfs/dbraw/zinc/79/96/65/647799665.db2.gz 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/nfs/dbraw/zinc/39/15/85/652391585.db2.gz CZCKATTZOUZAHZ-KRWDZBQOSA-N 0 3 313.445 2.313 20 30 DEEDHN C#CCCCOc1cccnc1NC1CCN(CCOC)CC1 ZINC000853234840 652527584 /nfs/dbraw/zinc/52/75/84/652527584.db2.gz YNTNGDJXIALAHP-UHFFFAOYSA-N 0 3 317.433 2.397 20 30 DEEDHN Cc1cc(NC[C@H]2CN3CCC[C@H]3CO2)cc(C#N)c1[N+](=O)[O-] ZINC000853242912 652528506 /nfs/dbraw/zinc/52/85/06/652528506.db2.gz ZMMZSOGFTHBUPF-GJZGRUSLSA-N 0 3 316.361 2.050 20 30 DEEDHN Cn1cc(-c2ccnc(C3CCN(CCCC#N)CC3)n2)cn1 ZINC000854103662 652640943 /nfs/dbraw/zinc/64/09/43/652640943.db2.gz OGQYQRHBPYBWBU-UHFFFAOYSA-N 0 3 310.405 2.360 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001371136497 1155731130 /nfs/dbraw/zinc/73/11/30/1155731130.db2.gz BRZWBHDRMAVNLK-VXGBXAGGSA-N 0 3 323.437 2.291 20 30 DEEDHN C=CCCC(=O)N(CCC)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001356690260 1152112213 /nfs/dbraw/zinc/11/22/13/1152112213.db2.gz NBTYFYFDJQFCNY-HOTGVXAUSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)OCCN1CCCCC1 ZINC000858985800 685630818 /nfs/dbraw/zinc/63/08/18/685630818.db2.gz QEYNUMMHYOWDRN-AWEZNQCLSA-N 0 3 302.374 2.355 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000119622856 684084758 /nfs/dbraw/zinc/08/47/58/684084758.db2.gz MKVMFZSLTBIWRK-QWHCGFSZSA-N 0 3 316.357 2.324 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001054035989 693817707 /nfs/dbraw/zinc/81/77/07/693817707.db2.gz ZASTVEZGRYVANZ-ZWKOTPCHSA-N 0 3 314.429 2.142 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCCO2)c1 ZINC000119973536 684090088 /nfs/dbraw/zinc/09/00/88/684090088.db2.gz CHDJQWYEVJDILY-CABCVRRESA-N 0 3 316.357 2.302 20 30 DEEDHN N#CC(C(=O)Cc1ccc(F)cc1F)C(=O)Nc1ccccn1 ZINC000120383377 684095440 /nfs/dbraw/zinc/09/54/40/684095440.db2.gz JUQSWSLUZVQHMX-GFCCVEGCSA-N 0 3 315.279 2.250 20 30 DEEDHN CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001054089497 693838872 /nfs/dbraw/zinc/83/88/72/693838872.db2.gz KMRDYQRTDGKTIN-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001054089497 693838874 /nfs/dbraw/zinc/83/88/74/693838874.db2.gz KMRDYQRTDGKTIN-LJQANCHMSA-N 0 3 312.413 2.344 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cncs1)C2 ZINC001054098159 693842486 /nfs/dbraw/zinc/84/24/86/693842486.db2.gz LQFNRUVGUBUBJB-MRXNPFEDSA-N 0 3 303.431 2.095 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)cc(C)n1)C2 ZINC001054156478 693865793 /nfs/dbraw/zinc/86/57/93/693865793.db2.gz QLJSLKKZHXOUSM-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)c(C)cn1)C2 ZINC001054168683 693869264 /nfs/dbraw/zinc/86/92/64/693869264.db2.gz GWQSHZODRJEGHO-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C3CC3)on1)C2 ZINC001054172381 693870451 /nfs/dbraw/zinc/87/04/51/693870451.db2.gz MVWPNXHJVSACTJ-GOSISDBHSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc3n[nH]cc3c1)C2 ZINC001054185671 693874760 /nfs/dbraw/zinc/87/47/60/693874760.db2.gz HPROXLUGLLHEOC-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC1=CCOCC1)C2 ZINC001054192470 693877158 /nfs/dbraw/zinc/87/71/58/693877158.db2.gz YYBDVXYQGDKAEW-LJQANCHMSA-N 0 3 316.445 2.061 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C3CC3)no1)C2 ZINC001054206278 693882179 /nfs/dbraw/zinc/88/21/79/693882179.db2.gz GWJUOGGQBROAAL-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COCC2CC2)cc1 ZINC000193449871 685041473 /nfs/dbraw/zinc/04/14/73/685041473.db2.gz DSDAEFKEELQDJG-OAHLLOKOSA-N 0 3 300.358 2.323 20 30 DEEDHN CCCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001054326489 693932948 /nfs/dbraw/zinc/93/29/48/693932948.db2.gz OZHPBZGCPHBJGV-CJNGLKHVSA-N 0 3 315.417 2.303 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1OCC ZINC000249711954 685186088 /nfs/dbraw/zinc/18/60/88/685186088.db2.gz FOSKVGIPRSMASZ-YWPYICTPSA-N 0 3 316.357 2.158 20 30 DEEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000250485332 685189878 /nfs/dbraw/zinc/18/98/78/685189878.db2.gz KVSUBRZBZFQMMT-MJBXVCDLSA-N 0 3 302.761 2.431 20 30 DEEDHN C#CC[C@H](CCOC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000860409737 685922696 /nfs/dbraw/zinc/92/26/96/685922696.db2.gz XELSBYSXRYXOST-OAHLLOKOSA-N 0 3 303.406 2.298 20 30 DEEDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2cccc(CC#N)c2)C1 ZINC000861344073 686049078 /nfs/dbraw/zinc/04/90/78/686049078.db2.gz MXWSGFQOASAVPZ-RDJZCZTQSA-N 0 3 302.374 2.019 20 30 DEEDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2cccc(CC#N)c2)C1 ZINC000861344075 686049394 /nfs/dbraw/zinc/04/93/94/686049394.db2.gz MXWSGFQOASAVPZ-WBVHZDCISA-N 0 3 302.374 2.019 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000861837339 686191279 /nfs/dbraw/zinc/19/12/79/686191279.db2.gz AMUMJGGQAFIWJE-IXDOHACOSA-N 0 3 316.832 2.297 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000863034891 686423163 /nfs/dbraw/zinc/42/31/63/686423163.db2.gz OZLKWMGQOGVICZ-QGZVFWFLSA-N 0 3 312.413 2.445 20 30 DEEDHN Cc1cccc(F)c1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000863551876 686520194 /nfs/dbraw/zinc/52/01/94/686520194.db2.gz JASNJANACIALLE-CQSZACIVSA-N 0 3 306.381 2.295 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000930040598 694076293 /nfs/dbraw/zinc/07/62/93/694076293.db2.gz VIAQGETUDWRCOO-NHYWBVRUSA-N 0 3 314.389 2.171 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCc3cccnc3)C2)cc1 ZINC001054962289 694082279 /nfs/dbraw/zinc/08/22/79/694082279.db2.gz OWSYYUPYTUZBGS-DNVCBOLYSA-N 0 3 319.408 2.313 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NCc2cnc(C)nc2)[C@@H](C)C1 ZINC001054971198 694084618 /nfs/dbraw/zinc/08/46/18/694084618.db2.gz MTHXTVCWEKYGTD-BBRMVZONSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H](c2ccccc2)N(C)C)C1=O ZINC000865296869 687170619 /nfs/dbraw/zinc/17/06/19/687170619.db2.gz HZOMVYDVSJAXNP-KBPBESRZSA-N 0 3 321.808 2.352 20 30 DEEDHN N#Cc1ccccc1N1CCC(NCc2ccc(CO)o2)CC1 ZINC000865694435 687304697 /nfs/dbraw/zinc/30/46/97/687304697.db2.gz DWILXEYUVNEYAJ-UHFFFAOYSA-N 0 3 311.385 2.402 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001015801336 687427072 /nfs/dbraw/zinc/42/70/72/687427072.db2.gz OGOLLYUGBRTTRS-CYBMUJFWSA-N 0 3 303.406 2.291 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001015940143 687472610 /nfs/dbraw/zinc/47/26/10/687472610.db2.gz GJYSYSQPPWFARY-GFCCVEGCSA-N 0 3 313.323 2.481 20 30 DEEDHN N#Cc1cccc(C2(NCC[S@@](=O)C(F)(F)F)CC2)c1 ZINC000930219422 694114085 /nfs/dbraw/zinc/11/40/85/694114085.db2.gz MIHWVLNGBMLPSZ-HXUWFJFHSA-N 0 3 302.321 2.405 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)cn1 ZINC001016028682 687504824 /nfs/dbraw/zinc/50/48/24/687504824.db2.gz ATKZNEFWXBQGJM-LJQANCHMSA-N 0 3 319.408 2.376 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016092225 687522374 /nfs/dbraw/zinc/52/23/74/687522374.db2.gz KNBXQQBUHBYMEF-LPHOPBHVSA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC001016411767 687615068 /nfs/dbraw/zinc/61/50/68/687615068.db2.gz MJFZDGVEVJPAIV-CQSZACIVSA-N 0 3 302.422 2.154 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccnc(CCC)c2)CC1 ZINC001016666850 687678630 /nfs/dbraw/zinc/67/86/30/687678630.db2.gz KIKBEVUWQNDVIL-KRWDZBQOSA-N 0 3 311.429 2.252 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001016803625 687706026 /nfs/dbraw/zinc/70/60/26/687706026.db2.gz QYJAGLLDNVXQPR-ZWKOTPCHSA-N 0 3 308.425 2.320 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001016820809 687710270 /nfs/dbraw/zinc/71/02/70/687710270.db2.gz UMVCENDZKOOZJE-UONOGXRCSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(OCC)c2)CC1 ZINC001016853682 687718892 /nfs/dbraw/zinc/71/88/92/687718892.db2.gz HFAWHHCXDFUAGG-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2coc(C3CC3)n2)CC1 ZINC001016864592 687721921 /nfs/dbraw/zinc/72/19/21/687721921.db2.gz GXJTVPFPDIOPDL-HNNXBMFYSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(F)cc2C)CC1 ZINC001016937197 687738256 /nfs/dbraw/zinc/73/82/56/687738256.db2.gz GMFRDDLKNKINJE-INIZCTEOSA-N 0 3 300.377 2.352 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001016962829 687744232 /nfs/dbraw/zinc/74/42/32/687744232.db2.gz DYKKCVNJEBCJRR-GOSISDBHSA-N 0 3 308.425 2.393 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)n2c(C)ccc2C)CC1 ZINC001016981525 687748774 /nfs/dbraw/zinc/74/87/74/687748774.db2.gz DCZVLSSINQSXCE-SJORKVTESA-N 0 3 313.445 2.270 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cnc(C(C)C)s2)CC1 ZINC001017001577 687753746 /nfs/dbraw/zinc/75/37/46/687753746.db2.gz CZUDTPFJELJHAE-CQSZACIVSA-N 0 3 317.458 2.484 20 30 DEEDHN C=CCCS(=O)(=O)N(CC(C)C)CC1CCN(C)CC1 ZINC000867864974 687814460 /nfs/dbraw/zinc/81/44/60/687814460.db2.gz PNWZFXSLVAUHNG-UHFFFAOYSA-N 0 3 302.484 2.192 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cn1 ZINC001017672058 687935872 /nfs/dbraw/zinc/93/58/72/687935872.db2.gz GPAVTCUUKWJFLN-IYBDPMFKSA-N 0 3 303.381 2.015 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@@H]1C ZINC001017762146 687955533 /nfs/dbraw/zinc/95/55/33/687955533.db2.gz WPPKIJQQHYGVML-XLMAVXFVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001017831142 687968243 /nfs/dbraw/zinc/96/82/43/687968243.db2.gz OPYHYSNPIANBJA-TXEJJXNPSA-N 0 3 307.419 2.104 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1N(C)C ZINC001018177470 688071253 /nfs/dbraw/zinc/07/12/53/688071253.db2.gz DHBIYAKTKWTGMF-GASCZTMLSA-N 0 3 314.433 2.013 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C(=O)CC)c1 ZINC000930467931 694168547 /nfs/dbraw/zinc/16/85/47/694168547.db2.gz YEDJASCYIRHMKW-UHFFFAOYSA-N 0 3 301.390 2.356 20 30 DEEDHN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC001018301413 688104819 /nfs/dbraw/zinc/10/48/19/688104819.db2.gz RAYCRXUXYFATDP-IXDOHACOSA-N 0 3 305.466 2.112 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[C@H]1CCCO1 ZINC001018325983 688110747 /nfs/dbraw/zinc/11/07/47/688110747.db2.gz ZPSPDYAOIBUFBT-MWDXBVQZSA-N 0 3 306.450 2.443 20 30 DEEDHN CC(C)CC(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018434579 688136770 /nfs/dbraw/zinc/13/67/70/688136770.db2.gz JFYCKKARFRLTEM-HNNXBMFYSA-N 0 3 303.381 2.434 20 30 DEEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@]1(C#N)CCCOC1 ZINC000868813534 688148089 /nfs/dbraw/zinc/14/80/89/688148089.db2.gz YOYPCLVISGSPGM-KRWDZBQOSA-N 0 3 317.389 2.016 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCc2ccccc2OC2CC2)C1 ZINC001018633062 688189527 /nfs/dbraw/zinc/18/95/27/688189527.db2.gz SUCFFFIBBHYYSG-HIFRSBDPSA-N 0 3 313.401 2.078 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)C3=CCCC3)C2)ccc1F ZINC001018708178 688213825 /nfs/dbraw/zinc/21/38/25/688213825.db2.gz BZGNWYYTLSIWFE-INIZCTEOSA-N 0 3 313.376 2.498 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3=CCCC3)C2)s1 ZINC001018708345 688214172 /nfs/dbraw/zinc/21/41/72/688214172.db2.gz IQFXOZCKOGUJCV-ZDUSSCGKSA-N 0 3 301.415 2.421 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(CCc3ccns3)C2)nc1 ZINC000930543513 694186169 /nfs/dbraw/zinc/18/61/69/694186169.db2.gz XSLXBMKPVZMOFU-ZDUSSCGKSA-N 0 3 300.387 2.106 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001019761716 688407250 /nfs/dbraw/zinc/40/72/50/688407250.db2.gz VGCVGOUEFSITKV-JSGCOSHPSA-N 0 3 302.443 2.310 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)c3ccc[nH]3)C2)c1 ZINC001019984536 688435120 /nfs/dbraw/zinc/43/51/20/688435120.db2.gz FHIHHMZDQHVJJU-HDJSIYSDSA-N 0 3 312.348 2.076 20 30 DEEDHN N#CC(C(=O)C[C@H]1Cc2ccccc2O1)C(=O)NC1CCCC1 ZINC000870159967 688501879 /nfs/dbraw/zinc/50/18/79/688501879.db2.gz UTKDBNSZRVSFNE-HUUCEWRRSA-N 0 3 312.369 2.148 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2noc3ccccc23)C1 ZINC001020366579 688510186 /nfs/dbraw/zinc/51/01/86/688510186.db2.gz RGNLKNQFYNIESN-HAQNSBGRSA-N 0 3 319.792 2.360 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(F)cc3ccoc32)C1 ZINC001028643531 688541099 /nfs/dbraw/zinc/54/10/99/688541099.db2.gz PICSGEDJRFSDFS-GFCCVEGCSA-N 0 3 300.333 2.257 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001029012277 688548931 /nfs/dbraw/zinc/54/89/31/688548931.db2.gz KLKSZUXWZIZRRW-DOMZBBRYSA-N 0 3 302.805 2.051 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001029006842 688549218 /nfs/dbraw/zinc/54/92/18/688549218.db2.gz WUNUUARZCXGUJL-GRTSSRMGSA-N 0 3 314.351 2.180 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CNCc3ccccc31)C2 ZINC000871012526 688709799 /nfs/dbraw/zinc/70/97/99/688709799.db2.gz XEMDMMJSLQZBNQ-IEBWSBKVSA-N 0 3 317.392 2.029 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc3c(s1)CCNC3)C2 ZINC000871012411 688710137 /nfs/dbraw/zinc/71/01/37/688710137.db2.gz SLAQHKPVVUYSSA-HNNXBMFYSA-N 0 3 323.421 2.163 20 30 DEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cc(CC#N)ccn1 ZINC000871735230 688855797 /nfs/dbraw/zinc/85/57/97/688855797.db2.gz JQCXITNCQJGKCP-ZDUSSCGKSA-N 0 3 301.394 2.142 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000930780190 694241035 /nfs/dbraw/zinc/24/10/35/694241035.db2.gz WXMYJOYDEJMUPG-UHFFFAOYSA-N 0 3 314.311 2.177 20 30 DEEDHN C=C(C)CCN1CC(NC(=O)c2ccccc2CN(C)C)C1 ZINC001031437966 688918129 /nfs/dbraw/zinc/91/81/29/688918129.db2.gz OVLYOXVAXYUMGK-UHFFFAOYSA-N 0 3 301.434 2.128 20 30 DEEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@H]2CCCS2)c1 ZINC000872224228 688957745 /nfs/dbraw/zinc/95/77/45/688957745.db2.gz ZUGKTHDPGHHFSH-CQSZACIVSA-N 0 3 324.471 2.207 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001031670230 688977116 /nfs/dbraw/zinc/97/71/16/688977116.db2.gz GUDWTAILWAACIY-LLVKDONJSA-N 0 3 309.435 2.088 20 30 DEEDHN C[C@@H]1C(N=Nc2ncnc3c2cnn3-c2ccccc2)CCN1C ZINC000872342102 688985280 /nfs/dbraw/zinc/98/52/80/688985280.db2.gz MXYVPHFYFYGAHJ-GFCCVEGCSA-N 0 3 321.388 2.307 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001031799224 688999872 /nfs/dbraw/zinc/99/98/72/688999872.db2.gz ZVWDDIYPRMYIOF-UHFFFAOYSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001032028861 689045612 /nfs/dbraw/zinc/04/56/12/689045612.db2.gz FLGYWNDZVSBURY-UHFFFAOYSA-N 0 3 306.793 2.034 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001032145544 689071542 /nfs/dbraw/zinc/07/15/42/689071542.db2.gz HEHUIXAASUPSCX-UHFFFAOYSA-N 0 3 310.319 2.390 20 30 DEEDHN N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)[nH]1 ZINC001032361338 689131621 /nfs/dbraw/zinc/13/16/21/689131621.db2.gz KUYVBYGXRUOYRM-HOTGVXAUSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000873000253 689137951 /nfs/dbraw/zinc/13/79/51/689137951.db2.gz WKGGNTJNQCAHGD-UHFFFAOYSA-N 0 3 324.513 2.304 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cn1 ZINC001032483648 689163874 /nfs/dbraw/zinc/16/38/74/689163874.db2.gz GLRLZDMADOLZLC-HOTGVXAUSA-N 0 3 303.381 2.015 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)c(F)c1 ZINC001032504663 689170212 /nfs/dbraw/zinc/17/02/12/689170212.db2.gz LETGMBCDMJLKJB-GJZGRUSLSA-N 0 3 318.392 2.238 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCOC1 ZINC001032557796 689185822 /nfs/dbraw/zinc/18/58/22/689185822.db2.gz SONXYIYUXGVSRO-JYJNAYRXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCOC1 ZINC001032557724 689185825 /nfs/dbraw/zinc/18/58/25/689185825.db2.gz QBTBGJUFGKOTHQ-PMPSAXMXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1 ZINC001032750161 689246909 /nfs/dbraw/zinc/24/69/09/689246909.db2.gz NQNHYHWOXGWYKN-HOTGVXAUSA-N 0 3 300.402 2.317 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(N(C)C)ccn1 ZINC001032812118 689268528 /nfs/dbraw/zinc/26/85/28/689268528.db2.gz BHJWZDPQLDDMFP-HOTGVXAUSA-N 0 3 314.433 2.013 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001033150860 689405979 /nfs/dbraw/zinc/40/59/79/689405979.db2.gz GGTVIHBINDVDLI-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001033189813 689418377 /nfs/dbraw/zinc/41/83/77/689418377.db2.gz CNNTVXJZWDEZJN-CABCVRRESA-N 0 3 316.449 2.188 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C[C@@H]3CCCCO3)C2)C1 ZINC001033394173 689486561 /nfs/dbraw/zinc/48/65/61/689486561.db2.gz PYJNHHPDOUFDOK-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033442436 689499400 /nfs/dbraw/zinc/49/94/00/689499400.db2.gz DRGQYEZVCQBZHW-LBPRGKRZSA-N 0 3 310.319 2.274 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001033473751 689514567 /nfs/dbraw/zinc/51/45/67/689514567.db2.gz OVUSJBHKSFDDLT-RDJZCZTQSA-N 0 3 318.392 2.238 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001033473753 689514735 /nfs/dbraw/zinc/51/47/35/689514735.db2.gz OVUSJBHKSFDDLT-WBVHZDCISA-N 0 3 318.392 2.238 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001033478530 689516331 /nfs/dbraw/zinc/51/63/31/689516331.db2.gz DDAZKHKXLJSVRD-ZDUSSCGKSA-N 0 3 303.406 2.243 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033485957 689519530 /nfs/dbraw/zinc/51/95/30/689519530.db2.gz GSOWMOBUVBQOHR-GFCCVEGCSA-N 0 3 309.435 2.012 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001033513245 689526619 /nfs/dbraw/zinc/52/66/19/689526619.db2.gz SFYCUMCTGQKITR-HNNXBMFYSA-N 0 3 309.413 2.348 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001033554655 689540453 /nfs/dbraw/zinc/54/04/53/689540453.db2.gz HVIGHXDHOOEPHQ-QGZVFWFLSA-N 0 3 313.445 2.401 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001033562013 689543698 /nfs/dbraw/zinc/54/36/98/689543698.db2.gz KXROCDAKAYJUAM-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001033626081 689565039 /nfs/dbraw/zinc/56/50/39/689565039.db2.gz ZWSJEMJWEWKFEP-CABCVRRESA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001033893930 689653318 /nfs/dbraw/zinc/65/33/18/689653318.db2.gz SSAQBERQXYBGKQ-WMZOPIPTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001033899779 689655406 /nfs/dbraw/zinc/65/54/06/689655406.db2.gz BJOKJOAHZMKKCW-MRXNPFEDSA-N 0 3 317.433 2.462 20 30 DEEDHN C=CCN(C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)(C)C ZINC000875826377 689700623 /nfs/dbraw/zinc/70/06/23/689700623.db2.gz QCACBDNJUNYAOD-JKSUJKDBSA-N 0 3 318.465 2.269 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC001034210486 689763605 /nfs/dbraw/zinc/76/36/05/689763605.db2.gz OSTKAPYRPRUNTA-CQSZACIVSA-N 0 3 317.437 2.164 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001034228624 689772279 /nfs/dbraw/zinc/77/22/79/689772279.db2.gz GRHURPBFYJYKJY-HZPDHXFCSA-N 0 3 316.449 2.462 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc3ccccn23)C1 ZINC001034280999 689793277 /nfs/dbraw/zinc/79/32/77/689793277.db2.gz AOEIWWURUFMGHK-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001034300863 689802087 /nfs/dbraw/zinc/80/20/87/689802087.db2.gz KRGCVRPPTQWMEQ-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001034436240 689849501 /nfs/dbraw/zinc/84/95/01/689849501.db2.gz QMYUUQJZURUGMX-QGZVFWFLSA-N 0 3 300.402 2.487 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001034463906 689858500 /nfs/dbraw/zinc/85/85/00/689858500.db2.gz BMCAWTJKTUFESL-INIZCTEOSA-N 0 3 318.465 2.245 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000876566006 689858769 /nfs/dbraw/zinc/85/87/69/689858769.db2.gz UWDJAXWHNMEWCO-MRVPVSSYSA-N 0 3 304.680 2.417 20 30 DEEDHN C#CCCCCCCN1CCC(NS(=O)(=O)CCC)CC1 ZINC000876569737 689860772 /nfs/dbraw/zinc/86/07/72/689860772.db2.gz JYWFMACQDQVRMC-UHFFFAOYSA-N 0 3 314.495 2.364 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001034476761 689865005 /nfs/dbraw/zinc/86/50/05/689865005.db2.gz IXPPRQDFSKZTOJ-CQSZACIVSA-N 0 3 303.406 2.153 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(NC(=O)CC)c1 ZINC000876581385 689865034 /nfs/dbraw/zinc/86/50/34/689865034.db2.gz HZHPDOGTQYIMLG-CYBMUJFWSA-N 0 3 309.797 2.121 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000876583158 689865559 /nfs/dbraw/zinc/86/55/59/689865559.db2.gz GAWJYOGJSSNRKZ-ZDUSSCGKSA-N 0 3 321.808 2.296 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000876591561 689868341 /nfs/dbraw/zinc/86/83/41/689868341.db2.gz KRTCPUIJDIXSKH-CQSZACIVSA-N 0 3 321.808 2.217 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCOc1ccccc1OC ZINC000876601832 689872269 /nfs/dbraw/zinc/87/22/69/689872269.db2.gz CDDOTMWDEICSCA-GFCCVEGCSA-N 0 3 312.797 2.002 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(Cl)ccc1OC ZINC000876604553 689873751 /nfs/dbraw/zinc/87/37/51/689873751.db2.gz LMVLEHKPCBCDJL-NSHDSACASA-N 0 3 303.189 2.435 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001034517010 689882928 /nfs/dbraw/zinc/88/29/28/689882928.db2.gz VFZALSNRLXWHSH-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001034523290 689883341 /nfs/dbraw/zinc/88/33/41/689883341.db2.gz CYWZFKXBUQVHLC-OAHLLOKOSA-N 0 3 316.401 2.228 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccnc2N(C)C)C1 ZINC001034527659 689886724 /nfs/dbraw/zinc/88/67/24/689886724.db2.gz KJGNIUCDSYNNCO-OAHLLOKOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)CN2CCc3ccccc32)C1 ZINC001034537745 689889332 /nfs/dbraw/zinc/88/93/32/689889332.db2.gz KQLJIVJWRBZKQW-KRWDZBQOSA-N 0 3 313.445 2.206 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC000876657108 689891903 /nfs/dbraw/zinc/89/19/03/689891903.db2.gz XWNVBBCPKHGBMB-LBPRGKRZSA-N 0 3 312.797 2.180 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000876693657 689905094 /nfs/dbraw/zinc/90/50/94/689905094.db2.gz GLZOXBMZWURBKY-ZDUSSCGKSA-N 0 3 300.736 2.319 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000876720412 689914352 /nfs/dbraw/zinc/91/43/52/689914352.db2.gz HSGLFNYTPWWAJK-SECBINFHSA-N 0 3 323.702 2.431 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728375 689917631 /nfs/dbraw/zinc/91/76/31/689917631.db2.gz KGOPGLSZGLUVSR-HNNXBMFYSA-N 0 3 307.825 2.373 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000876726833 689917691 /nfs/dbraw/zinc/91/76/91/689917691.db2.gz ADTNMJGTQOSRNX-HIFRSBDPSA-N 0 3 307.825 2.099 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(c2ccccc2)CC1 ZINC000876733575 689919728 /nfs/dbraw/zinc/91/97/28/689919728.db2.gz BGADGLCCNIPEGT-OAHLLOKOSA-N 0 3 307.825 2.195 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000876736630 689921300 /nfs/dbraw/zinc/92/13/00/689921300.db2.gz MGAFYGVMEHLFFZ-HNNXBMFYSA-N 0 3 307.825 2.242 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000876878348 689962348 /nfs/dbraw/zinc/96/23/48/689962348.db2.gz AALLUWQCJAQPIW-LSDHHAIUSA-N 0 3 324.808 2.065 20 30 DEEDHN CCN(CC)C(=O)CCCNCc1cc(C#N)cnc1Cl ZINC000876932533 689976100 /nfs/dbraw/zinc/97/61/00/689976100.db2.gz ORPJGKDCLFISGB-UHFFFAOYSA-N 0 3 308.813 2.345 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)COc1c(F)cccc1F ZINC000876966538 689985478 /nfs/dbraw/zinc/98/54/78/689985478.db2.gz SZXBFHOZOZWEED-SKDRFNHKSA-N 0 3 318.751 2.318 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000876971048 689986948 /nfs/dbraw/zinc/98/69/48/689986948.db2.gz LFIGKWYUBOLMTN-UONOGXRCSA-N 0 3 300.830 2.264 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000876989097 689992111 /nfs/dbraw/zinc/99/21/11/689992111.db2.gz OKZNZOUYVVJXBS-GDBMZVCRSA-N 0 3 321.852 2.189 20 30 DEEDHN CN(C)C(=O)[C@H]1CCC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877044590 690006362 /nfs/dbraw/zinc/00/63/62/690006362.db2.gz CWHQBBOGFLUOQB-GXTWGEPZSA-N 0 3 320.824 2.343 20 30 DEEDHN C=C(Cl)CN1CCC2(C1)CCN(C(=O)Cc1ccn[nH]1)CC2 ZINC001035170130 690047905 /nfs/dbraw/zinc/04/79/05/690047905.db2.gz LHJLEKNERQAGRL-UHFFFAOYSA-N 0 3 322.840 2.019 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1csnc1C)CC2 ZINC001035690539 690153328 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C#CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccco3)C2)CC1 ZINC001050732002 693240336 /nfs/dbraw/zinc/24/03/36/693240336.db2.gz ZMIKNVFGYYEQKG-OAHLLOKOSA-N 0 3 300.402 2.331 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CC(C3CC3)C3CC3)C2)CC1 ZINC001050765321 693246455 /nfs/dbraw/zinc/24/64/55/693246455.db2.gz NOKQFBPDTBALCN-UHFFFAOYSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccc(CF)cc3)C2)CC1 ZINC001050769688 693247490 /nfs/dbraw/zinc/24/74/90/693247490.db2.gz YXMYMRUPWQERST-UHFFFAOYSA-N 0 3 300.377 2.327 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCCC[C@H]3OC)C2)CC1 ZINC001050771768 693248149 /nfs/dbraw/zinc/24/81/49/693248149.db2.gz YLBCJHGNEUYPAG-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)[C@@H](OC)C3CCCCC3)C2)CC1 ZINC001050776534 693248743 /nfs/dbraw/zinc/24/87/43/693248743.db2.gz LZKXMUFCADBIQF-KRWDZBQOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001050800512 693252856 /nfs/dbraw/zinc/25/28/56/693252856.db2.gz VYWKLPVKKAZKMU-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCN1C ZINC000925333765 693258854 /nfs/dbraw/zinc/25/88/54/693258854.db2.gz GPFSZBVDPUMYOF-KSSFIOAISA-N 0 3 324.428 2.450 20 30 DEEDHN C=C(C)CCN1CCN([C@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051959702 693418634 /nfs/dbraw/zinc/41/86/34/693418634.db2.gz HAIANYZEHIJGRG-INIZCTEOSA-N 0 3 317.433 2.078 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC001051975470 693421855 /nfs/dbraw/zinc/42/18/55/693421855.db2.gz RWJGKJNGSLDQBO-SFHVURJKSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C(C)CCN1CCN([C@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051985252 693424059 /nfs/dbraw/zinc/42/40/59/693424059.db2.gz WCRLIVIRTAJKSJ-SJORKVTESA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001052043407 693434220 /nfs/dbraw/zinc/43/42/20/693434220.db2.gz XPTHVJIPHZDZHV-WMZOPIPTSA-N 0 3 319.493 2.217 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001052076699 693438554 /nfs/dbraw/zinc/43/85/54/693438554.db2.gz KVXAYMUXOFPCAO-MJGOQNOKSA-N 0 3 319.493 2.217 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001052079170 693439608 /nfs/dbraw/zinc/43/96/08/693439608.db2.gz FOKFULBKQFDFOB-KZNAEPCWSA-N 0 3 319.493 2.217 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC001052419557 693529857 /nfs/dbraw/zinc/52/98/57/693529857.db2.gz PERZSXWOXJVSEB-ZDUSSCGKSA-N 0 3 324.375 2.194 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccn3c2CCCC3)CC1 ZINC001052452715 693538385 /nfs/dbraw/zinc/53/83/85/693538385.db2.gz DYWCVUVZRVOPMC-INIZCTEOSA-N 0 3 313.445 2.432 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cncc3[nH]ccc32)CC1 ZINC001052527471 693559338 /nfs/dbraw/zinc/55/93/38/693559338.db2.gz AXPKIZXQYJNVIQ-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc3c2O[C@H](C)C3)CC1 ZINC001052568907 693570080 /nfs/dbraw/zinc/57/00/80/693570080.db2.gz SNUFBSFFQBHGAK-ZBFHGGJFSA-N 0 3 312.413 2.228 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC001052660757 693590949 /nfs/dbraw/zinc/59/09/49/693590949.db2.gz ZUAZGRGLXGDXLR-AEFFLSMTSA-N 0 3 314.404 2.459 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)C2CCC(OC)CC2)CC1 ZINC001052666732 693592786 /nfs/dbraw/zinc/59/27/86/693592786.db2.gz CTTXDQPNTBQERQ-AQFXKWCLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ncccc2OCCC)CC1 ZINC001052680472 693594625 /nfs/dbraw/zinc/59/46/25/693594625.db2.gz LXSZLZCEDKYSMF-HNNXBMFYSA-N 0 3 315.417 2.088 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ocnc2C(F)F)CC1 ZINC001052716242 693601771 /nfs/dbraw/zinc/60/17/71/693601771.db2.gz LAJUJDVQVKGBOP-LLVKDONJSA-N 0 3 311.332 2.220 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C)c(F)c2F)CC1 ZINC001052737902 693606887 /nfs/dbraw/zinc/60/68/87/693606887.db2.gz WLTBQJRQGJKPMV-ZDUSSCGKSA-N 0 3 306.356 2.491 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc3c2OCC3)CC1 ZINC001052739794 693607579 /nfs/dbraw/zinc/60/75/79/693607579.db2.gz RLVNHAJDIIHUML-INIZCTEOSA-N 0 3 312.413 2.229 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc3c2OCC3)CC1 ZINC001052739797 693607704 /nfs/dbraw/zinc/60/77/04/693607704.db2.gz RLVNHAJDIIHUML-MRXNPFEDSA-N 0 3 312.413 2.229 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2noc3c2CCCCC3)CC1 ZINC001052758194 693612972 /nfs/dbraw/zinc/61/29/72/693612972.db2.gz SRCGOJGYUYMVCF-CQSZACIVSA-N 0 3 315.417 2.161 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC001052760331 693613335 /nfs/dbraw/zinc/61/33/35/693613335.db2.gz CEPWXCXGDRUTTL-KRWDZBQOSA-N 0 3 314.404 2.461 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)c2cnn(CCC)c2C)CC1 ZINC001052822599 693626432 /nfs/dbraw/zinc/62/64/32/693626432.db2.gz MZRDMAUNUBNYPW-INIZCTEOSA-N 0 3 316.449 2.209 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3sccc3[nH]2)CC1 ZINC001052839234 693630830 /nfs/dbraw/zinc/63/08/30/693630830.db2.gz DIDRMKWTLUBVAR-LBPRGKRZSA-N 0 3 301.415 2.447 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)c2sccc2COC)CC1 ZINC001052862891 693636047 /nfs/dbraw/zinc/63/60/47/693636047.db2.gz BPKSJJTYZWXWQP-AWEZNQCLSA-N 0 3 306.431 2.112 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927632113 693639926 /nfs/dbraw/zinc/63/99/26/693639926.db2.gz COEWXELVGXJCLK-HNNXBMFYSA-N 0 3 309.454 2.284 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCCN(CC#CC)CC1 ZINC001052897825 693643789 /nfs/dbraw/zinc/64/37/89/693643789.db2.gz NVFBANPBZVHYPD-LJQANCHMSA-N 0 3 308.425 2.204 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3ccccc3oc2=O)CC1 ZINC001052907124 693646052 /nfs/dbraw/zinc/64/60/52/693646052.db2.gz LUAPRTORERXNFL-OAHLLOKOSA-N 0 3 324.380 2.011 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc3oc(C)nc32)CC1 ZINC001052966342 693658307 /nfs/dbraw/zinc/65/83/07/693658307.db2.gz SDXCZYSEPNICAS-CQSZACIVSA-N 0 3 311.385 2.354 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CC2CCC(OC)CC2)CC1 ZINC001052977037 693660757 /nfs/dbraw/zinc/66/07/57/693660757.db2.gz YPTHVESBRPWLFE-CGZBRXJRSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC001053063512 693680293 /nfs/dbraw/zinc/68/02/93/693680293.db2.gz NWDXNTPCIRAKPX-QZTJIDSGSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000932464406 694620842 /nfs/dbraw/zinc/62/08/42/694620842.db2.gz ZAISKLFWSSNCLT-KRWDZBQOSA-N 0 3 315.461 2.139 20 30 DEEDHN C[C@H]1COC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000932499085 694626709 /nfs/dbraw/zinc/62/67/09/694626709.db2.gz JHVOUTUCQYZHAL-SWLSCSKDSA-N 0 3 321.808 2.211 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001332050422 1149813678 /nfs/dbraw/zinc/81/36/78/1149813678.db2.gz PJDAMJJVJHSZFL-PBHICJAKSA-N 0 3 322.412 2.293 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cc(C(N)=O)cs1)C(C)C ZINC001332740302 1149886848 /nfs/dbraw/zinc/88/68/48/1149886848.db2.gz HDRWYGPQDZOCSK-UHFFFAOYSA-N 0 3 323.462 2.206 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001333367862 1150040815 /nfs/dbraw/zinc/04/08/15/1150040815.db2.gz ZEBJDGRRACSWHE-RCCFBDPRSA-N 0 3 318.461 2.374 20 30 DEEDHN C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001343038467 1150662807 /nfs/dbraw/zinc/66/28/07/1150662807.db2.gz MIABHBUWWSAHCX-GJZGRUSLSA-N 0 3 321.469 2.218 20 30 DEEDHN CCn1ccnc1C(C#N)=C([O-])c1cnn2cccc(OC)c12 ZINC001344865020 1150846978 /nfs/dbraw/zinc/84/69/78/1150846978.db2.gz WUPQGULQZFDKET-LLVKDONJSA-N 0 3 309.329 2.049 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cnn2cccc(OC)c12 ZINC001344865020 1150846979 /nfs/dbraw/zinc/84/69/79/1150846979.db2.gz WUPQGULQZFDKET-LLVKDONJSA-N 0 3 309.329 2.049 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H](NC(=O)CN(CC)CC)C1 ZINC001351120305 1151472679 /nfs/dbraw/zinc/47/26/79/1151472679.db2.gz NFVBOTVNZKXZFY-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001480436203 1151804688 /nfs/dbraw/zinc/80/46/88/1151804688.db2.gz PEVPTKLHNIDGNK-BZNIZROVSA-N 0 3 324.371 2.249 20 30 DEEDHN CS[C@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480446050 1151810000 /nfs/dbraw/zinc/81/00/00/1151810000.db2.gz IGTDQBJBZGHYAD-GHMZBOCLSA-N 0 3 311.476 2.356 20 30 DEEDHN C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001355020129 1151971382 /nfs/dbraw/zinc/97/13/82/1151971382.db2.gz PQGNKWFBXWRMHH-INIZCTEOSA-N 0 3 323.481 2.132 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1 ZINC001356227852 1152065783 /nfs/dbraw/zinc/06/57/83/1152065783.db2.gz HOGRGEVXSITLJQ-MRXNPFEDSA-N 0 3 321.380 2.032 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(CCc2ccns2)CC1(C)C ZINC001402799454 1162475543 /nfs/dbraw/zinc/47/55/43/1162475543.db2.gz OIOJBGJJUANMFL-OCCSQVGLSA-N 0 3 320.462 2.062 20 30 DEEDHN CCOCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC001380259727 1152777337 /nfs/dbraw/zinc/77/73/37/1152777337.db2.gz LMKSKDMXGOOZET-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN N#Cc1cnc(C(=O)N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 ZINC001361981173 1152792825 /nfs/dbraw/zinc/79/28/25/1152792825.db2.gz KXLIMGPJGLCFSQ-ZDUSSCGKSA-N 0 3 318.808 2.307 20 30 DEEDHN CCOC(=O)[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC001362198543 1152848035 /nfs/dbraw/zinc/84/80/35/1152848035.db2.gz ITNKGNDWMUWWOS-UKRRQHHQSA-N 0 3 302.374 2.074 20 30 DEEDHN COC(=O)C[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC001362530361 1152960040 /nfs/dbraw/zinc/96/00/40/1152960040.db2.gz QLOSSICYQINFDW-CVEARBPZSA-N 0 3 314.385 2.313 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnc(C3CC3)o2)C1 ZINC001381332580 1153007864 /nfs/dbraw/zinc/00/78/64/1153007864.db2.gz YKVIODZVHNUVGO-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN CO[C@H](C)C(=O)N(C)CC(C)(C)CNCc1ccccc1C#N ZINC001381467103 1153075487 /nfs/dbraw/zinc/07/54/87/1153075487.db2.gz JFMBMJAAWZBSPM-CQSZACIVSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1(CN[C@@H](C)c2cnccn2)CCCCC1 ZINC001381714761 1153192876 /nfs/dbraw/zinc/19/28/76/1153192876.db2.gz JXZMYYIXVRJLII-KBPBESRZSA-N 0 3 315.421 2.106 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2csc(C)n2)C1 ZINC001402944286 1162560022 /nfs/dbraw/zinc/56/00/22/1162560022.db2.gz BVLWVSFXFZTVBS-UHFFFAOYSA-N 0 3 313.854 2.231 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[C@]12CCOC2 ZINC001403072685 1162689254 /nfs/dbraw/zinc/68/92/54/1162689254.db2.gz HHCGELMPLNGBCL-CJNGLKHVSA-N 0 3 314.857 2.240 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NCc1ccc(F)c(C#N)c1 ZINC001371142931 1155735646 /nfs/dbraw/zinc/73/56/46/1155735646.db2.gz MBOGKWXDWYTOJX-ZYIUAKIQSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn2ccccc2n1 ZINC001371873674 1156048538 /nfs/dbraw/zinc/04/85/38/1156048538.db2.gz KAKZTRGRXYAPIJ-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cncnc1C(C)C ZINC001371880515 1156051264 /nfs/dbraw/zinc/05/12/64/1156051264.db2.gz HLBLVOMWFYIMJI-LBPRGKRZSA-N 0 3 310.829 2.451 20 30 DEEDHN C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001371937753 1156074177 /nfs/dbraw/zinc/07/41/77/1156074177.db2.gz BAXWBPIHEHYRGY-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN CSC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001403162925 1162801956 /nfs/dbraw/zinc/80/19/56/1162801956.db2.gz KXZLFUBUGMWBPZ-RYUDHWBXSA-N 0 3 323.487 2.309 20 30 DEEDHN CCC(=O)NCC[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001373131495 1156868159 /nfs/dbraw/zinc/86/81/59/1156868159.db2.gz IQRMKACBNOXGBE-CYBMUJFWSA-N 0 3 303.381 2.436 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)c1 ZINC001373156262 1156875155 /nfs/dbraw/zinc/87/51/55/1156875155.db2.gz TVIFSNVQFBSFIW-FXZDBVEHSA-N 0 3 306.797 2.081 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C2CC2)nn1C)C(C)C ZINC001392219735 1156896019 /nfs/dbraw/zinc/89/60/19/1156896019.db2.gz WWDSFZBFHHMVNB-CQSZACIVSA-N 0 3 324.856 2.394 20 30 DEEDHN COc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c1C ZINC001373664235 1157234079 /nfs/dbraw/zinc/23/40/79/1157234079.db2.gz APGLHWHUTXZQKF-CZUORRHYSA-N 0 3 315.417 2.196 20 30 DEEDHN Cc1cnoc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001392711409 1157361319 /nfs/dbraw/zinc/36/13/19/1157361319.db2.gz YVIBNCBBBLLNOH-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)Cn1ccnc1C(C)C)C1CC1 ZINC001392796368 1157422107 /nfs/dbraw/zinc/42/21/07/1157422107.db2.gz LLAKVQCXNHNGNU-AWEZNQCLSA-N 0 3 324.856 2.243 20 30 DEEDHN COc1cccc(Cl)c1CNC[C@H](C)CNC(=O)[C@H](C)C#N ZINC001373990280 1157529887 /nfs/dbraw/zinc/52/98/87/1157529887.db2.gz RVEAHZNGYSXXBD-NWDGAFQWSA-N 0 3 323.824 2.350 20 30 DEEDHN Cc1cncc(CNC2(CNC(=O)c3c[nH]c(C#N)c3)CCC2)c1 ZINC001393538172 1157855964 /nfs/dbraw/zinc/85/59/64/1157855964.db2.gz QLDONWIMALZKTH-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN CS[C@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001393541926 1157856962 /nfs/dbraw/zinc/85/69/62/1157856962.db2.gz VQYMNLWIFLODLE-LLVKDONJSA-N 0 3 323.487 2.500 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001393901876 1158056092 /nfs/dbraw/zinc/05/60/92/1158056092.db2.gz ITRYPFWJTXSZKR-UHFFFAOYSA-N 0 3 324.856 2.164 20 30 DEEDHN Cc1nocc1C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001393962033 1158101508 /nfs/dbraw/zinc/10/15/08/1158101508.db2.gz IOJFDDQXOHMUHV-NXEZZACHSA-N 0 3 318.402 2.213 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCCCO1 ZINC001375026339 1158217815 /nfs/dbraw/zinc/21/78/15/1158217815.db2.gz WLVXVLABNJWSHW-RHSMWYFYSA-N 0 3 315.417 2.064 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)C2CCC2)cc1C#N ZINC001403523296 1162935003 /nfs/dbraw/zinc/93/50/03/1162935003.db2.gz RESYQZGHZUVHNQ-ZDUSSCGKSA-N 0 3 315.417 2.303 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001394145220 1158335322 /nfs/dbraw/zinc/33/53/22/1158335322.db2.gz YZZAQGHTFOCEDQ-AWEZNQCLSA-N 0 3 310.401 2.066 20 30 DEEDHN C[C@@H](CN(C)C(=O)C1(C)CC1)NCc1ccc(F)c(C#N)c1 ZINC001403569313 1163009308 /nfs/dbraw/zinc/00/93/08/1163009308.db2.gz ZVDMTOHKTOWSCT-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN COc1ccc(CN[C@H](C)CN(C)C(=O)CCCF)cc1C#N ZINC001403575689 1163014575 /nfs/dbraw/zinc/01/45/75/1163014575.db2.gz IFLFPGZBVFEGDT-CYBMUJFWSA-N 0 3 321.396 2.253 20 30 DEEDHN CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001376286316 1159316958 /nfs/dbraw/zinc/31/69/58/1159316958.db2.gz FRSOZLXUMGBUPE-QTEJZOKPSA-N 0 3 320.824 2.423 20 30 DEEDHN CO[C@@H](C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1)C(C)C ZINC001403591062 1163027909 /nfs/dbraw/zinc/02/79/09/1163027909.db2.gz BGWISWVMYXEYDR-IUODEOHRSA-N 0 3 323.462 2.227 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCCN1C(=O)CCc1cncn1C ZINC001376615680 1159601502 /nfs/dbraw/zinc/60/15/02/1159601502.db2.gz XGOVDNRHDVFDQB-OAHLLOKOSA-N 0 3 324.856 2.076 20 30 DEEDHN C[C@H](CNC(=O)c1ccns1)NCc1ccc(F)c(C#N)c1 ZINC001376742683 1159754935 /nfs/dbraw/zinc/75/49/35/1159754935.db2.gz KGBGSDIAXLVCSS-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H](C)Oc1ccccn1 ZINC001377106073 1159903292 /nfs/dbraw/zinc/90/32/92/1159903292.db2.gz SYLWOOCTUODHHB-QWHCGFSZSA-N 0 3 311.813 2.086 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)CCc1c(C)n[nH]c1C ZINC001377111513 1159910031 /nfs/dbraw/zinc/91/00/31/1159910031.db2.gz QQNYIPRXWJSBHR-LLVKDONJSA-N 0 3 312.845 2.196 20 30 DEEDHN CCCc1nc(C)c(CN[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)o1 ZINC001397575089 1160340834 /nfs/dbraw/zinc/34/08/34/1160340834.db2.gz SFBLYNUYUVDCDV-BNOWGMLFSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2[nH]ccc2c1 ZINC001377454899 1160382065 /nfs/dbraw/zinc/38/20/65/1160382065.db2.gz QCPBMSWVBNHRBF-NSHDSACASA-N 0 3 306.797 2.365 20 30 DEEDHN Cc1cc(CN2CC[C@@H](NC(=O)[C@H](C)C#N)CC(C)(C)C2)on1 ZINC001397813903 1160536417 /nfs/dbraw/zinc/53/64/17/1160536417.db2.gz QGXGDCROTDBSCV-TZMCWYRMSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2oc(CC)nc2C)C1 ZINC001377735776 1160800736 /nfs/dbraw/zinc/80/07/36/1160800736.db2.gz KXDDCWNDGFYKRR-UHFFFAOYSA-N 0 3 311.813 2.396 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001398449347 1160894145 /nfs/dbraw/zinc/89/41/45/1160894145.db2.gz AMXFHMGJKUIPCY-HUUCEWRRSA-N 0 3 313.873 2.004 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCOC[C@@H]2C)CCCC1 ZINC001400950048 1161851636 /nfs/dbraw/zinc/85/16/36/1161851636.db2.gz BHGDXGVAHSFODX-GXTWGEPZSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CCn1cc(C)cn1)C(C)C ZINC001401357773 1161948348 /nfs/dbraw/zinc/94/83/48/1161948348.db2.gz UREMDKVVDBNBRL-AWEZNQCLSA-N 0 3 312.845 2.065 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001401940054 1162190550 /nfs/dbraw/zinc/19/05/50/1162190550.db2.gz MOHNSORVOLATTC-ABAIWWIYSA-N 0 3 301.365 2.211 20 30 DEEDHN Cc1nc(C)c(CN2CCC(C)(CNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001402185397 1162278932 /nfs/dbraw/zinc/27/89/32/1162278932.db2.gz GGMFKVWBBHZPFF-LBPRGKRZSA-N 0 3 318.421 2.169 20 30 DEEDHN CCN(CCNC(=O)[C@H](OC)C(C)C)Cc1ccc(C#N)cc1 ZINC001403904223 1163280868 /nfs/dbraw/zinc/28/08/68/1163280868.db2.gz HMOPNXUMTFVQNG-QGZVFWFLSA-N 0 3 317.433 2.167 20 30 DEEDHN CCCN(CCNC(=O)c1cocn1)Cc1cccc(C#N)c1 ZINC001404111810 1163459209 /nfs/dbraw/zinc/45/92/09/1163459209.db2.gz PXPFLYBLWAUSDF-UHFFFAOYSA-N 0 3 312.373 2.188 20 30 DEEDHN CCOCC(=O)N1CCC(C)(NCc2ccccc2C#N)CC1 ZINC001408083926 1165469055 /nfs/dbraw/zinc/46/90/55/1165469055.db2.gz VXNQDSXVRUKOHU-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC(O)(C(C)C)CC1 ZINC001414059336 1165703374 /nfs/dbraw/zinc/70/33/74/1165703374.db2.gz IPFGFIRPLFDBKM-UHFFFAOYSA-N 0 3 318.417 2.429 20 30 DEEDHN Cc1nc(CN[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001417804519 1167224659 /nfs/dbraw/zinc/22/46/59/1167224659.db2.gz PZWOOUYBWGYMHK-DDTOSNHZSA-N 0 3 320.462 2.294 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc3cccnc32)[C@@H]1C ZINC001417846277 1167252595 /nfs/dbraw/zinc/25/25/95/1167252595.db2.gz MCZNYLLZJWIIDE-VBQJREDUSA-N 0 3 322.412 2.473 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001417898244 1167291151 /nfs/dbraw/zinc/29/11/51/1167291151.db2.gz HWRRHAFUKZWEDG-LSDHHAIUSA-N 0 3 324.856 2.303 20 30 DEEDHN CC(C)c1cccc(CN[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001417969848 1167336613 /nfs/dbraw/zinc/33/66/13/1167336613.db2.gz PGMQCPUSQMFCQK-SUMWQHHRSA-N 0 3 314.433 2.349 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)Cn2cncc2C)C1 ZINC001418169869 1167458335 /nfs/dbraw/zinc/45/83/35/1167458335.db2.gz DFLQQOJDGBMADY-LSDHHAIUSA-N 0 3 324.856 2.161 20 30 DEEDHN CS[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418207878 1167489250 /nfs/dbraw/zinc/48/92/50/1167489250.db2.gz GKDURQSYMGZSTM-NEPJUHHUSA-N 0 3 323.437 2.433 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001418208089 1167490451 /nfs/dbraw/zinc/49/04/51/1167490451.db2.gz ZKNUWCJGGLAVTA-WFASDCNBSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C(C)(C)COC)C1 ZINC001418780815 1167958006 /nfs/dbraw/zinc/95/80/06/1167958006.db2.gz SWRDQMLZYCZONK-QWHCGFSZSA-N 0 3 302.846 2.286 20 30 DEEDHN CCc1noc(C)c1CNC[C@@](C)(NC(=O)[C@H](C)C#N)C1CC1 ZINC001419332909 1168407144 /nfs/dbraw/zinc/40/71/44/1168407144.db2.gz HQKFGIBDEQJUQD-PIGZYNQJSA-N 0 3 318.421 2.080 20 30 DEEDHN CC[C@@H](F)CNC[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001419600557 1168656396 /nfs/dbraw/zinc/65/63/96/1168656396.db2.gz LNEIGSSZBFIGRF-OCCSQVGLSA-N 0 3 306.385 2.219 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cn2ccccc2n1)C(C)C ZINC001419935585 1168957319 /nfs/dbraw/zinc/95/73/19/1168957319.db2.gz FXXVOFSBPNFBAL-CYBMUJFWSA-N 0 3 320.824 2.431 20 30 DEEDHN COCCC(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001420009907 1169057583 /nfs/dbraw/zinc/05/75/83/1169057583.db2.gz POUKEENMKDYPBZ-IAGOWNOFSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CN(CCC)CCNC(=O)C1(N(C)C)CCC1 ZINC001420589654 1169815499 /nfs/dbraw/zinc/81/54/99/1169815499.db2.gz HAQQKRKBGXRHPC-UHFFFAOYSA-N 0 3 301.862 2.051 20 30 DEEDHN CC[C@@H](C)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001420913472 1171341699 /nfs/dbraw/zinc/34/16/99/1171341699.db2.gz IIDYTCCTZROMAB-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN CS[C@H](C)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001420918436 1171347780 /nfs/dbraw/zinc/34/77/80/1171347780.db2.gz LFNFVQRNUFSOFY-LLVKDONJSA-N 0 3 321.421 2.187 20 30 DEEDHN Cc1cccnc1CN1CCC[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001421285204 1171674235 /nfs/dbraw/zinc/67/42/35/1171674235.db2.gz WLFODLRDAZYIRN-CRAIPNDOSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(OC)nc1)C1CC1 ZINC001421555015 1171845771 /nfs/dbraw/zinc/84/57/71/1171845771.db2.gz LQKQTCJYJMMOIO-INIZCTEOSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(Br)CNC[C@@](C)(NC(=O)[C@@H]1C[C@H]1C)C1CC1 ZINC001421561814 1171849016 /nfs/dbraw/zinc/84/90/16/1171849016.db2.gz IXMZNDQXTDCCGP-GAJTVXKRSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ncc[nH]2)CCCC[C@H]1C ZINC001421594915 1171862232 /nfs/dbraw/zinc/86/22/32/1171862232.db2.gz WQBXHZGUKDDGAX-ABAIWWIYSA-N 0 3 310.829 2.431 20 30 DEEDHN CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)CCC(F)(F)F ZINC001421857644 1172052421 /nfs/dbraw/zinc/05/24/21/1172052421.db2.gz FLNZBJCMZJPGKK-UHFFFAOYSA-N 0 3 316.327 2.233 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@H](C)N(C)C(=O)[C@H](C)C#N ZINC001421875461 1172077406 /nfs/dbraw/zinc/07/74/06/1172077406.db2.gz UFYDBMMJTOCUID-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cncs1 ZINC001421895862 1172098307 /nfs/dbraw/zinc/09/83/07/1172098307.db2.gz WSXMZZPBAHGSMB-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)CCCF)C(C)C ZINC001422115830 1172314571 /nfs/dbraw/zinc/31/45/71/1172314571.db2.gz BQHPXDNJQBXIEU-NSHDSACASA-N 0 3 309.223 2.375 20 30 DEEDHN Cc1nc(C(C)C)oc1CNCC1CC(NC(=O)[C@H](C)C#N)C1 ZINC001422253684 1172441275 /nfs/dbraw/zinc/44/12/75/1172441275.db2.gz DCTIIGXGGJZCKB-LMWSTFAQSA-N 0 3 318.421 2.251 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001422269787 1172451629 /nfs/dbraw/zinc/45/16/29/1172451629.db2.gz CBKXQBXMKZJUIS-UBHUBRDASA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCO[C@H]1C ZINC001422460571 1172609874 /nfs/dbraw/zinc/60/98/74/1172609874.db2.gz BNAXTNWWZYIUFJ-QWHCGFSZSA-N 0 3 302.846 2.238 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001422481290 1172631924 /nfs/dbraw/zinc/63/19/24/1172631924.db2.gz JVIHNRAGWJBRBD-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](CNC(=O)c1nccs1)N(C)Cc1ccc(C#N)cc1 ZINC001422570758 1172718869 /nfs/dbraw/zinc/71/88/69/1172718869.db2.gz LCAAHHZXQSBBRM-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)c1cc(Cl)no1 ZINC001422584723 1172731277 /nfs/dbraw/zinc/73/12/77/1172731277.db2.gz GDRIOROQLYBDHB-MRVPVSSYSA-N 0 3 324.793 2.169 20 30 DEEDHN Cc1ncoc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001422785970 1172861598 /nfs/dbraw/zinc/86/15/98/1172861598.db2.gz AFOQXHQUVDNONM-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001422899774 1172903211 /nfs/dbraw/zinc/90/32/11/1172903211.db2.gz NRRYWPCQHKMNMJ-RBSFLKMASA-N 0 3 324.856 2.380 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccn3nccc23)C1 ZINC001422913565 1172926236 /nfs/dbraw/zinc/92/62/36/1172926236.db2.gz PUDNJYCZEASLMH-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@]1(CNCc2ccccc2C#N)CCN(C(=O)c2cocn2)C1 ZINC001423634080 1173457771 /nfs/dbraw/zinc/45/77/71/1173457771.db2.gz LZIONIKYAHHTGH-GOSISDBHSA-N 0 3 324.384 2.188 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001424264473 1173724503 /nfs/dbraw/zinc/72/45/03/1173724503.db2.gz WRKMVDVCSOIDFQ-JSGCOSHPSA-N 0 3 324.856 2.312 20 30 DEEDHN COCCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001424530845 1173821022 /nfs/dbraw/zinc/82/10/22/1173821022.db2.gz POTOFZQMAXYCGO-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN Cc1cccnc1CN1CCCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001425195211 1174225355 /nfs/dbraw/zinc/22/53/55/1174225355.db2.gz PLBGKCJGPIQCAA-HZPDHXFCSA-N 0 3 314.433 2.411 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(O)(c2nccn2C)CC1 ZINC001434486884 1178652398 /nfs/dbraw/zinc/65/23/98/1178652398.db2.gz ACMILDTUXWIIHW-CQSZACIVSA-N 0 3 310.401 2.336 20 30 DEEDHN N#CCOc1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC001434674692 1178841037 /nfs/dbraw/zinc/84/10/37/1178841037.db2.gz UWUBAEHKJKVAGY-UHFFFAOYSA-N 0 3 302.378 2.196 20 30 DEEDHN CC[C@@H](CNC(=O)c1cc(F)c[nH]1)NCc1ccc(C#N)s1 ZINC001438329383 1180349206 /nfs/dbraw/zinc/34/92/06/1180349206.db2.gz FGAYECMSXDXOOE-NSHDSACASA-N 0 3 320.393 2.385 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC001440397727 1181481958 /nfs/dbraw/zinc/48/19/58/1181481958.db2.gz WKGALXPHUFWULN-CYBMUJFWSA-N 0 3 310.829 2.066 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001441234500 1181906883 /nfs/dbraw/zinc/90/68/83/1181906883.db2.gz VPUSVHBTMMWHHD-GOEBONIOSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)CCC(F)F)C1 ZINC001441496513 1182023825 /nfs/dbraw/zinc/02/38/25/1182023825.db2.gz KJHMCDPVJCGROA-DTORHVGOSA-N 0 3 311.170 2.177 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COc2ccc(C)cc2)C1 ZINC001441550576 1182053713 /nfs/dbraw/zinc/05/37/13/1182053713.db2.gz OYIXIMZXVYTJCC-OKILXGFUSA-N 0 3 308.809 2.363 20 30 DEEDHN CC[C@@H](CNC(=O)COC(C)C)NCc1ccc(C#N)c(F)c1 ZINC001443902272 1183194282 /nfs/dbraw/zinc/19/42/82/1183194282.db2.gz DFLHVUZLKHXZOV-HNNXBMFYSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@@H]2CCCO2)CCCC1 ZINC001444475288 1183403471 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CC#CCN1CC[C@H](NC(=O)c2nccc3cccnc32)C[C@H]1C ZINC000947405445 783127614 /nfs/dbraw/zinc/12/76/14/783127614.db2.gz ZRJFCVYAKAXXNO-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3cccnc3s2)C[C@H]1C ZINC000947392266 783125313 /nfs/dbraw/zinc/12/53/13/783125313.db2.gz VCJZELOGISSQSS-NEPJUHHUSA-N 0 3 316.430 2.460 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc3cnccc32)C[C@@H]1C ZINC000947444976 783138944 /nfs/dbraw/zinc/13/89/44/783138944.db2.gz DEWINTWUHPMPQO-YJBOKZPZSA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1C ZINC000947487556 783151016 /nfs/dbraw/zinc/15/10/16/783151016.db2.gz FXBYHSXYNQYQRV-KGLIPLIRSA-N 0 3 316.449 2.313 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(COC)o2)C[C@H]1C ZINC000947526900 783162425 /nfs/dbraw/zinc/16/24/25/783162425.db2.gz AVKLYLCRQVGEAN-ZIAGYGMSSA-N 0 3 304.390 2.032 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cn(CC)nc2C)CC(C)(C)C1 ZINC001089501804 783166862 /nfs/dbraw/zinc/16/68/62/783166862.db2.gz 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C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC001167087564 776640151 /nfs/dbraw/zinc/64/01/51/776640151.db2.gz FFCBFDOEDMJXEG-TZMCWYRMSA-N 0 3 314.857 2.288 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001104245663 776784938 /nfs/dbraw/zinc/78/49/38/776784938.db2.gz VNGSVBHNXCZPKB-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](O)C1 ZINC001090747853 790482722 /nfs/dbraw/zinc/48/27/22/790482722.db2.gz LAHCACZQXSGRTH-CABCVRRESA-N 0 3 324.371 2.365 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H]3OCc4ccccc43)C2)C1 ZINC001073154906 790492335 /nfs/dbraw/zinc/49/23/35/790492335.db2.gz HTOMLHQBRZQXKY-GOSISDBHSA-N 0 3 324.424 2.206 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)CCC2CCC2)ccc1F ZINC001125380304 776862368 /nfs/dbraw/zinc/86/23/68/776862368.db2.gz PXEGXWQTQJVSQW-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cc(C)[nH]c1C ZINC001167365815 776954098 /nfs/dbraw/zinc/95/40/98/776954098.db2.gz HYVHLWYZCYMEIK-UHFFFAOYSA-N 0 3 314.227 2.250 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001067568256 776996567 /nfs/dbraw/zinc/99/65/67/776996567.db2.gz AFLBSKRCTIPTDA-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCC#CCOC)C1 ZINC001211514747 777109958 /nfs/dbraw/zinc/10/99/58/777109958.db2.gz FDAARZHEARQGAU-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cnn(CC)c2C)CC1 ZINC001167514994 777285938 /nfs/dbraw/zinc/28/59/38/777285938.db2.gz QFVNSFUUFFPWTA-UHFFFAOYSA-N 0 3 324.856 2.454 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H](C)C3CCCC3)[C@H]2C1 ZINC001083244686 777336397 /nfs/dbraw/zinc/33/63/97/777336397.db2.gz GMIYVLSUVDSKPO-BHYGNILZSA-N 0 3 306.450 2.300 20 30 DEEDHN Cc1ncsc1C=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000588522857 777346796 /nfs/dbraw/zinc/34/67/96/777346796.db2.gz XIADBLYCVQGXBU-GZTOBOFZSA-N 0 3 312.354 2.207 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001090791143 790543645 /nfs/dbraw/zinc/54/36/45/790543645.db2.gz 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O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C\Cl ZINC001087357893 777876070 /nfs/dbraw/zinc/87/60/70/777876070.db2.gz YOIYZLOTIAJVJO-DWYBAYHGSA-N 0 3 318.848 2.321 20 30 DEEDHN C#Cc1ccc(C(=O)NCCC2(CNCC(=C)Cl)CC2)cn1 ZINC001167790121 778599896 /nfs/dbraw/zinc/59/98/96/778599896.db2.gz UUZXAGKINCPQKJ-UHFFFAOYSA-N 0 3 317.820 2.305 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(CC)CC1)C[C@@H](C)O2 ZINC001098634171 778668687 /nfs/dbraw/zinc/66/86/87/778668687.db2.gz NXXLMGFZAUQGES-OAHLLOKOSA-N 0 3 306.450 2.445 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001075615895 778750365 /nfs/dbraw/zinc/75/03/65/778750365.db2.gz CILRWPQZARRYOF-MDASCCDHSA-N 0 3 323.440 2.368 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2c(C)noc2C)[C@H](OC)C1 ZINC001211824902 778907591 /nfs/dbraw/zinc/90/75/91/778907591.db2.gz CUOFHIIFBKSHTJ-KCPJHIHWSA-N 0 3 321.421 2.075 20 30 DEEDHN CCC(=O)N1CCC([C@@H]2N(CC#CCOC)CC23CCC3)CC1 ZINC001105383195 779152121 /nfs/dbraw/zinc/15/21/21/779152121.db2.gz VJNAFDAPJQVBPW-SFHVURJKSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCC(=O)N1CCC(CN[C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001204754088 779248937 /nfs/dbraw/zinc/24/89/37/779248937.db2.gz VTJYKTLPURTWDP-CYBMUJFWSA-N 0 3 319.453 2.223 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c3c(nn2C)CCCC3)[C@H]1CC ZINC001087588529 779367172 /nfs/dbraw/zinc/36/71/72/779367172.db2.gz YCOMFCYUBVARSB-JKSUJKDBSA-N 0 3 316.449 2.068 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3n2CCCCC3)[C@H]1CC ZINC001087619530 779380559 /nfs/dbraw/zinc/38/05/59/779380559.db2.gz RLLMMJUBELZFGO-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1CC ZINC001087704955 779416044 /nfs/dbraw/zinc/41/60/44/779416044.db2.gz OPMJVGWYUQVPND-JKSUJKDBSA-N 0 3 319.449 2.500 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c(C)noc2Cl)[C@H]1CC ZINC001087761855 779440471 /nfs/dbraw/zinc/44/04/71/779440471.db2.gz QMHKDWMHTVSCJY-QWHCGFSZSA-N 0 3 311.813 2.334 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC ZINC001087810297 779459567 /nfs/dbraw/zinc/45/95/67/779459567.db2.gz NGVVNPTXJNLNBW-RBUKOAKNSA-N 0 3 308.425 2.203 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)[C@H]1CC ZINC001087813491 779462141 /nfs/dbraw/zinc/46/21/41/779462141.db2.gz PODZPYLAEXVMMN-VNQPRFMTSA-N 0 3 316.449 2.234 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC001088060055 779662826 /nfs/dbraw/zinc/66/28/26/779662826.db2.gz JMMWCOPPQYVXJQ-SJORKVTESA-N 0 3 322.408 2.389 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)COCC(F)F)C12CCC2 ZINC001203219989 779664061 /nfs/dbraw/zinc/66/40/61/779664061.db2.gz HTUDFKXFEASVKC-GHMZBOCLSA-N 0 3 322.783 2.038 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]2C1 ZINC001088192830 779766206 /nfs/dbraw/zinc/76/62/06/779766206.db2.gz XQCOPIPXTFXTOI-HIFRSBDPSA-N 0 3 318.367 2.382 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001088239736 779804274 /nfs/dbraw/zinc/80/42/74/779804274.db2.gz FHWVUJMJDCHFQJ-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1nocc1CN[C@@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088281399 779902843 /nfs/dbraw/zinc/90/28/43/779902843.db2.gz MGTAPXYGCGWQPQ-SWLSCSKDSA-N 0 3 304.394 2.004 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001088285491 779908290 /nfs/dbraw/zinc/90/82/90/779908290.db2.gz FSZVLGDURWVAPY-AWEZNQCLSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cccnn2)C1 ZINC001088403349 780074947 /nfs/dbraw/zinc/07/49/47/780074947.db2.gz QLYPBLXROZKPKE-CYBMUJFWSA-N 0 3 308.813 2.204 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cn2ccnc2C)C1 ZINC001088427474 780110976 /nfs/dbraw/zinc/11/09/76/780110976.db2.gz WJYQEONLVCKOHW-OAHLLOKOSA-N 0 3 324.856 2.305 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100919603 780355573 /nfs/dbraw/zinc/35/55/73/780355573.db2.gz DTBMMVPHUQUMBY-UHFFFAOYSA-N 0 3 316.832 2.447 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)nc1 ZINC001144169621 790790527 /nfs/dbraw/zinc/79/05/27/790790527.db2.gz PBCWDEMITWNEDB-DLBZAZTESA-N 0 3 302.397 2.352 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 ZINC001211953462 780525894 /nfs/dbraw/zinc/52/58/94/780525894.db2.gz ALBYAFCTKOWFTA-HUUCEWRRSA-N 0 3 321.421 2.158 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnn2[C@H](C)CC)[C@H]1C ZINC001088599143 780569178 /nfs/dbraw/zinc/56/91/78/780569178.db2.gz WMZBECJJAFKPDQ-KFWWJZLASA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1C ZINC001088656964 780695556 /nfs/dbraw/zinc/69/55/56/780695556.db2.gz MKNMAEFRTSGIBP-CABCVRRESA-N 0 3 304.438 2.082 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(O)cn1)C2 ZINC001144259988 790825952 /nfs/dbraw/zinc/82/59/52/790825952.db2.gz VCSZHYRAHDHGMF-ZWKOTPCHSA-N 0 3 318.417 2.361 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)[C@H]1C ZINC001088741083 780924586 /nfs/dbraw/zinc/92/45/86/780924586.db2.gz SKIYPYRBRFBUKL-IKGGRYGDSA-N 0 3 318.461 2.328 20 30 DEEDHN CC(C)C#CC(=O)NCCNCc1ccccc1OC(C)C ZINC001126828503 780962362 /nfs/dbraw/zinc/96/23/62/780962362.db2.gz WSVQWCGDAPYYOG-UHFFFAOYSA-N 0 3 302.418 2.339 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001091034610 790843510 /nfs/dbraw/zinc/84/35/10/790843510.db2.gz OQHPYIRINDIGTQ-DISOXQEGSA-N 0 3 319.836 2.422 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c[nH]c3cnccc23)[C@H]1C ZINC001088815292 781041562 /nfs/dbraw/zinc/04/15/62/781041562.db2.gz IBPQOPPFXVCFNH-CJNGLKHVSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(CC)s3)[C@@H]2C1 ZINC001076004600 781044297 /nfs/dbraw/zinc/04/42/97/781044297.db2.gz UESCBGNQJHMWMQ-DZGCQCFKSA-N 0 3 302.443 2.480 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc4ncccc34)[C@@H]2C1 ZINC001076030860 781085760 /nfs/dbraw/zinc/08/57/60/781085760.db2.gz APCUGCZDFLDVEW-QFBILLFUSA-N 0 3 321.424 2.496 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)[C@@H]2C1 ZINC001076185102 781161019 /nfs/dbraw/zinc/16/10/19/781161019.db2.gz JGNNPXMLYRSPQY-GVDBMIGSSA-N 0 3 311.429 2.220 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3ccncc3Cl)[C@@H]2C1 ZINC001076245472 781182944 /nfs/dbraw/zinc/18/29/44/781182944.db2.gz DPBIXDLRDNJOCQ-GOEBONIOSA-N 0 3 319.836 2.386 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3F)[C@@H]2C1 ZINC001076275713 781195417 /nfs/dbraw/zinc/19/54/17/781195417.db2.gz BCGDTELZQHZSOW-DZGCQCFKSA-N 0 3 318.367 2.443 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2C1 ZINC001076365608 781235848 /nfs/dbraw/zinc/23/58/48/781235848.db2.gz FWECXRNQAUZBKO-UWWQBHOKSA-N 0 3 324.424 2.180 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc(F)ccc3OC)[C@@H]2C1 ZINC001076386336 781240005 /nfs/dbraw/zinc/24/00/05/781240005.db2.gz NHJYEXAEONSZNW-XJKSGUPXSA-N 0 3 318.392 2.096 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H]2C1 ZINC001076450892 781269064 /nfs/dbraw/zinc/26/90/64/781269064.db2.gz SXJZFNLWQGHSFF-GOEBONIOSA-N 0 3 302.422 2.186 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001077178377 781510085 /nfs/dbraw/zinc/51/00/85/781510085.db2.gz GVOYZELZHNHQRK-HZPDHXFCSA-N 0 3 324.371 2.014 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cncc(OC)c2C)C1 ZINC001091097547 790913518 /nfs/dbraw/zinc/91/35/18/790913518.db2.gz RMCBXVTXFSPLEB-UHFFFAOYSA-N 0 3 323.824 2.249 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncc(Cl)c2)C[C@@H]1C ZINC000947811239 783236427 /nfs/dbraw/zinc/23/64/27/783236427.db2.gz XXNFDWAZKVBRBB-SWLSCSKDSA-N 0 3 305.809 2.341 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2snnc2C(C)C)C[C@H]1C ZINC000947841148 783243496 /nfs/dbraw/zinc/24/34/96/783243496.db2.gz IVFFUMTYTTZASR-NEPJUHHUSA-N 0 3 308.451 2.430 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(CCC)nc2C)C[C@H]1C ZINC000947853964 783247153 /nfs/dbraw/zinc/24/71/53/783247153.db2.gz YIGCYKWMWSLIOQ-UKRRQHHQSA-N 0 3 304.438 2.370 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2OC)C[C@H]1C ZINC000947963796 783279631 /nfs/dbraw/zinc/27/96/31/783279631.db2.gz YUDYKXOTMUDIJN-HUUCEWRRSA-N 0 3 300.402 2.301 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccccc2F)C[C@@H]1C ZINC000947989443 783287380 /nfs/dbraw/zinc/28/73/80/783287380.db2.gz KGQPNVUMBYYDCR-GOEBONIOSA-N 0 3 302.393 2.361 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000947993809 783288669 /nfs/dbraw/zinc/28/86/69/783288669.db2.gz IKJMYFLEWDTIDM-WMLDXEAASA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001089624244 783289619 /nfs/dbraw/zinc/28/96/19/783289619.db2.gz YOUWTOJKEICLFE-MRXNPFEDSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)C)C[C@@H]1C ZINC000948030273 783297956 /nfs/dbraw/zinc/29/79/56/783297956.db2.gz FQXOOMLGSRUICH-KBPBESRZSA-N 0 3 304.438 2.312 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001089629956 783299255 /nfs/dbraw/zinc/29/92/55/783299255.db2.gz XUMMSVSUAGBJSC-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(C)n1 ZINC001089633089 783300070 /nfs/dbraw/zinc/30/00/70/783300070.db2.gz DJZAKSWYKFGVJI-AWEZNQCLSA-N 0 3 303.406 2.227 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001089631269 783300546 /nfs/dbraw/zinc/30/05/46/783300546.db2.gz JQYYINIJVGYYBC-OAHLLOKOSA-N 0 3 317.408 2.464 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001073871717 790931394 /nfs/dbraw/zinc/93/13/94/790931394.db2.gz KWHNSCZPPQQMJI-SFHVURJKSA-N 0 3 314.429 2.147 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001089716160 783381197 /nfs/dbraw/zinc/38/11/97/783381197.db2.gz AWDFCTSSBGYPAA-AWEZNQCLSA-N 0 3 319.453 2.095 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CSC ZINC001089766331 783418038 /nfs/dbraw/zinc/41/80/38/783418038.db2.gz MSHGJSNEZRAERM-CRWXNKLISA-N 0 3 314.882 2.271 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2coc(CC)n2)CC1 ZINC000948320503 783425915 /nfs/dbraw/zinc/42/59/15/783425915.db2.gz XAQDVGNOBHFGLX-AWEZNQCLSA-N 0 3 303.406 2.187 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccnn2CC(C)C)CC1 ZINC000948416909 783458738 /nfs/dbraw/zinc/45/87/38/783458738.db2.gz SFXBLDOBOQBFDL-MRXNPFEDSA-N 0 3 316.449 2.099 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000948439536 783466410 /nfs/dbraw/zinc/46/64/10/783466410.db2.gz RDJSOEIMEQBQGX-LBPRGKRZSA-N 0 3 322.840 2.185 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccn3ccccc23)CC1 ZINC000948608361 783524579 /nfs/dbraw/zinc/52/45/79/783524579.db2.gz OFIZKMSUPXYRSI-MRXNPFEDSA-N 0 3 309.413 2.499 20 30 DEEDHN C=CCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000966102523 783563006 /nfs/dbraw/zinc/56/30/06/783563006.db2.gz JBJFREMEILSXFN-HOTGVXAUSA-N 0 3 307.482 2.264 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000966106159 783564646 /nfs/dbraw/zinc/56/46/46/783564646.db2.gz SZQXDTGJIDDNEU-RHSMWYFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001066224649 783570287 /nfs/dbraw/zinc/57/02/87/783570287.db2.gz MRBSRUACLZOMAA-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001066224650 783570388 /nfs/dbraw/zinc/57/03/88/783570388.db2.gz MRBSRUACLZOMAA-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC000966239848 783607778 /nfs/dbraw/zinc/60/77/78/783607778.db2.gz XITDMGYOLDIYSR-PBHICJAKSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)cc1C ZINC001085327649 783640701 /nfs/dbraw/zinc/64/07/01/783640701.db2.gz WRGLSTSOLMXKGW-ZIAGYGMSSA-N 0 3 323.824 2.479 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC000966596801 783705907 /nfs/dbraw/zinc/70/59/07/783705907.db2.gz FHSDBJMYJBPWHV-IUODEOHRSA-N 0 3 321.396 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC000966904975 783811063 /nfs/dbraw/zinc/81/10/63/783811063.db2.gz WFHGULREPOSQFC-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn(C2CCC2)nn1 ZINC001085600301 783876032 /nfs/dbraw/zinc/87/60/32/783876032.db2.gz PRPAUEYYZAGEMF-OAHLLOKOSA-N 0 3 317.437 2.116 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)n(C(F)F)n1 ZINC001085620061 783889267 /nfs/dbraw/zinc/88/92/67/783889267.db2.gz FRWWIUNUZVHXJE-LBPRGKRZSA-N 0 3 312.364 2.309 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001085652792 783930106 /nfs/dbraw/zinc/93/01/06/783930106.db2.gz FYIYSNVYAINJMO-ZDUSSCGKSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2nc[nH]c2n1 ZINC001085667170 783948370 /nfs/dbraw/zinc/94/83/70/783948370.db2.gz BVICEDIMCFFXIM-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085687232 783968284 /nfs/dbraw/zinc/96/82/84/783968284.db2.gz LCLIQBRNZYOZAU-CQSZACIVSA-N 0 3 304.438 2.475 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001085692530 783976487 /nfs/dbraw/zinc/97/64/87/783976487.db2.gz KIDURNTZBDEJOL-ZDUSSCGKSA-N 0 3 302.422 2.011 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2ccccc2nn1 ZINC001085753510 784038026 /nfs/dbraw/zinc/03/80/26/784038026.db2.gz IGXTXNYWAAXEDE-HNNXBMFYSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)[C@H](C)C1 ZINC001073976754 790993419 /nfs/dbraw/zinc/99/34/19/790993419.db2.gz GFVWNLLCCJRAIC-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085812289 784104598 /nfs/dbraw/zinc/10/45/98/784104598.db2.gz AAYZNZCVAHMISF-NSHDSACASA-N 0 3 312.364 2.460 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnnc2ccccc21 ZINC001085843355 784127305 /nfs/dbraw/zinc/12/73/05/784127305.db2.gz KCGVWTDJKFNNGZ-CQSZACIVSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C(C)(C)C ZINC001085878793 784171404 /nfs/dbraw/zinc/17/14/04/784171404.db2.gz MYOSMXQMYPFZJG-CQSZACIVSA-N 0 3 318.465 2.440 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001085902148 784193958 /nfs/dbraw/zinc/19/39/58/784193958.db2.gz VSUSHUPEWZLIEM-KGLIPLIRSA-N 0 3 316.449 2.257 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ncccc2OC)C1 ZINC000968034915 784208436 /nfs/dbraw/zinc/20/84/36/784208436.db2.gz JJUBHQVPUXTVTM-GDBMZVCRSA-N 0 3 317.433 2.035 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn2c1C[C@H](C)CC2 ZINC001085950616 784245104 /nfs/dbraw/zinc/24/51/04/784245104.db2.gz KKBMSXXKZRLEIZ-HUUCEWRRSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952705 784248123 /nfs/dbraw/zinc/24/81/23/784248123.db2.gz JKSCIQWENRUYJL-OAHLLOKOSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001074016733 791014265 /nfs/dbraw/zinc/01/42/65/791014265.db2.gz JBOCVVNBPWXNQM-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC000968349888 784312960 /nfs/dbraw/zinc/31/29/60/784312960.db2.gz QCGAAGCHDWBURH-WMLDXEAASA-N 0 3 312.413 2.085 20 30 DEEDHN C/C=C(/C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC000968363125 784324698 /nfs/dbraw/zinc/32/46/98/784324698.db2.gz FCDRWFLOYMHSOX-RWFSNQMCSA-N 0 3 313.401 2.224 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001086090239 784399191 /nfs/dbraw/zinc/39/91/91/784399191.db2.gz OQHPYIRINDIGTQ-DRPJVOAASA-N 0 3 319.836 2.422 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CN2CCC(C)CC2)C1 ZINC000968461042 784400021 /nfs/dbraw/zinc/40/00/21/784400021.db2.gz ZIQCFONVNWJTER-IRXDYDNUSA-N 0 3 307.482 2.121 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC000968498273 784425909 /nfs/dbraw/zinc/42/59/09/784425909.db2.gz YYRPJSCCXFAILN-HOCLYGCPSA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC000968505820 784432634 /nfs/dbraw/zinc/43/26/34/784432634.db2.gz QXKVKVUHOOKBRO-RHSMWYFYSA-N 0 3 324.428 2.037 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C3CC3)on2)C1 ZINC001086161988 784449858 /nfs/dbraw/zinc/44/98/58/784449858.db2.gz OYBYMLFGVSHJEQ-KLPPZKSPSA-N 0 3 309.797 2.403 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000968543735 784456814 /nfs/dbraw/zinc/45/68/14/784456814.db2.gz FJKUUHLKGMOPKS-YPMHNXCESA-N 0 3 324.856 2.266 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)ccc1F ZINC000968602136 784495204 /nfs/dbraw/zinc/49/52/04/784495204.db2.gz BBCNLQUUJGNFAU-OLZOCXBDSA-N 0 3 323.318 2.043 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C(C)C)nn2C)C1 ZINC001086244025 784517436 /nfs/dbraw/zinc/51/74/36/784517436.db2.gz PMBOWYHESYYECK-BETUJISGSA-N 0 3 324.856 2.394 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)c2ccco2)C1 ZINC001086291327 784547227 /nfs/dbraw/zinc/54/72/27/784547227.db2.gz BWIBSLWADBCMIV-XYPYZODXSA-N 0 3 313.195 2.286 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)c3cc[nH]c3)C2)ccc1F ZINC000968765863 784579847 /nfs/dbraw/zinc/57/98/47/784579847.db2.gz VNTQPSNSMBKSLH-OAHLLOKOSA-N 0 3 312.348 2.030 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cc(OC)ncn1 ZINC000968858938 784622637 /nfs/dbraw/zinc/62/26/37/784622637.db2.gz KCCMFOZKHGKNEQ-AWEZNQCLSA-N 0 3 318.421 2.036 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cncc(COC)c1 ZINC000968895935 784641378 /nfs/dbraw/zinc/64/13/78/784641378.db2.gz HWTADYNBPFBKKD-QGZVFWFLSA-N 0 3 317.433 2.388 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC000968923581 784651841 /nfs/dbraw/zinc/65/18/41/784651841.db2.gz XRIQLKTZUULAEQ-HOTGVXAUSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC000968933781 784657828 /nfs/dbraw/zinc/65/78/28/784657828.db2.gz FGDIHGAAUYZNGA-AWEZNQCLSA-N 0 3 319.405 2.071 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC000969008685 784688652 /nfs/dbraw/zinc/68/86/52/784688652.db2.gz VAIBGJGOSSLXSV-AWEZNQCLSA-N 0 3 314.389 2.383 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC000969101221 784729492 /nfs/dbraw/zinc/72/94/92/784729492.db2.gz VATCZSUIPSDHJN-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn(C)c2CC)C1 ZINC001086477472 784767141 /nfs/dbraw/zinc/76/71/41/784767141.db2.gz IQEYIECWYVQYQU-JOCQHMNTSA-N 0 3 309.841 2.438 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001091249294 791059900 /nfs/dbraw/zinc/05/99/00/791059900.db2.gz IXNWNHOBLLENDF-UHFFFAOYSA-N 0 3 308.813 2.138 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001007476424 784930743 /nfs/dbraw/zinc/93/07/43/784930743.db2.gz DFMCOXXIJGJBJR-CQSZACIVSA-N 0 3 313.405 2.037 20 30 DEEDHN C[C@@H]1C[C@H](NCc2cncc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001168828596 784931852 /nfs/dbraw/zinc/93/18/52/784931852.db2.gz IVCQZSFKSVINGW-DOMZBBRYSA-N 0 3 316.405 2.441 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CCCN(C[C@@H](CC)OC)C1 ZINC001007501847 784937804 /nfs/dbraw/zinc/93/78/04/784937804.db2.gz CNDJMEYAGMFXMJ-JKSUJKDBSA-N 0 3 319.449 2.293 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(C)c2CCC)C1 ZINC001007765154 784996540 /nfs/dbraw/zinc/99/65/40/784996540.db2.gz FUYAAYNYKMHKFY-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN N#Cc1cccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169046750 785019343 /nfs/dbraw/zinc/01/93/43/785019343.db2.gz MMIRMFZKJHAYMF-WBVHZDCISA-N 0 3 314.389 2.126 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001007944938 785054468 /nfs/dbraw/zinc/05/44/68/785054468.db2.gz UUESQVORUBBMFZ-MRXNPFEDSA-N 0 3 310.401 2.400 20 30 DEEDHN COC(=O)c1cc(C#N)ccc1N1CCCc2ccc(CN)nc21 ZINC001169590112 785251212 /nfs/dbraw/zinc/25/12/12/785251212.db2.gz FRESCMZLTTXFOK-UHFFFAOYSA-N 0 3 322.368 2.283 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129337732 785258368 /nfs/dbraw/zinc/25/83/68/785258368.db2.gz WDAKKIGJCSUHFD-XHSDSOJGSA-N 0 3 319.453 2.022 20 30 DEEDHN N#Cc1ccc2c(c1)ncnc2N1CCCc2ccc(CN)nc21 ZINC001169584534 785265092 /nfs/dbraw/zinc/26/50/92/785265092.db2.gz TUQOFJDCYBORMK-UHFFFAOYSA-N 0 3 316.368 2.439 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001074172722 791097197 /nfs/dbraw/zinc/09/71/97/791097197.db2.gz VIYRSQFBQGAAAC-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1C[C@H]1C(C)C ZINC001169679739 785299752 /nfs/dbraw/zinc/29/97/52/785299752.db2.gz HIOJMZMLYYYKCT-RYUDHWBXSA-N 0 3 303.244 2.283 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cn(CCC)nc2C)C1 ZINC001008983125 785355447 /nfs/dbraw/zinc/35/54/47/785355447.db2.gz VDCGLBMLYKSBSW-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001009071424 785378359 /nfs/dbraw/zinc/37/83/59/785378359.db2.gz FRPONJWNUNGZFD-AWEZNQCLSA-N 0 3 310.401 2.089 20 30 DEEDHN C[C@H](CCCCNCc1cc(C2CC2)no1)NC(=O)[C@@H](C)C#N ZINC001169821929 785379472 /nfs/dbraw/zinc/37/94/72/785379472.db2.gz PEAULRMYFRILGU-QWHCGFSZSA-N 0 3 318.421 2.476 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001009219323 785411193 /nfs/dbraw/zinc/41/11/93/785411193.db2.gz IKLUTPVHQAGKSM-MRXNPFEDSA-N 0 3 301.434 2.431 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccccc2OC)C1 ZINC001009424986 785453615 /nfs/dbraw/zinc/45/36/15/785453615.db2.gz LIIJGQSWTYAWFT-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN Cc1ncoc1CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC(C)C)C2 ZINC001108683830 785493341 /nfs/dbraw/zinc/49/33/41/785493341.db2.gz SWULCJWZYYYCLL-XHSDSOJGSA-N 0 3 315.417 2.112 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001009670803 785503654 /nfs/dbraw/zinc/50/36/54/785503654.db2.gz FBZDXLUSARZITL-KRWDZBQOSA-N 0 3 323.440 2.325 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[C@H]2C(F)F)cc1 ZINC001129375721 785654828 /nfs/dbraw/zinc/65/48/28/785654828.db2.gz PAEAWEKXWJNRKC-HUUCEWRRSA-N 0 3 321.371 2.445 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001156672226 785832153 /nfs/dbraw/zinc/83/21/53/785832153.db2.gz JXIODPLJNPIXRD-ZDUSSCGKSA-N 0 3 306.454 2.171 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccnc(C)n1)C2 ZINC001109555592 785931360 /nfs/dbraw/zinc/93/13/60/785931360.db2.gz WVXVJTJICFMWKE-IKGGRYGDSA-N 0 3 314.433 2.015 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156812539 785964274 /nfs/dbraw/zinc/96/42/74/785964274.db2.gz VKLCEKUTKTXHON-UHFFFAOYSA-N 0 3 315.392 2.487 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1ccnc1)C2 ZINC001109772846 786050009 /nfs/dbraw/zinc/05/00/09/786050009.db2.gz VUMBEBGKWQHVJG-FZKCQIBNSA-N 0 3 302.422 2.132 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1ccco1)C2 ZINC001109831814 786080824 /nfs/dbraw/zinc/08/08/24/786080824.db2.gz LTWDQOHNILPJCD-JHNDHUHGSA-N 0 3 300.402 2.203 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccn2)C1 ZINC001086571639 786376431 /nfs/dbraw/zinc/37/64/31/786376431.db2.gz HIHPLWHHIMYVAH-PKOBYXMFSA-N 0 3 319.408 2.303 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC001113171890 786429315 /nfs/dbraw/zinc/42/93/15/786429315.db2.gz VKJOTDCIANZNEZ-CQSZACIVSA-N 0 3 318.465 2.078 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCC(=O)NC(C)C)CC1 ZINC001113557835 786688578 /nfs/dbraw/zinc/68/85/78/786688578.db2.gz RUMQVVDLJJBIJL-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC001170265107 786880848 /nfs/dbraw/zinc/88/08/48/786880848.db2.gz AXPPRGPWPKIPND-KBPBESRZSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001015425164 787047635 /nfs/dbraw/zinc/04/76/35/787047635.db2.gz QSCFUXJMRTWGLK-CYBMUJFWSA-N 0 3 314.389 2.220 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001015468460 787072338 /nfs/dbraw/zinc/07/23/38/787072338.db2.gz UXUMAOCFOOAJNV-QGZVFWFLSA-N 0 3 314.404 2.461 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001015486423 787079974 /nfs/dbraw/zinc/07/99/74/787079974.db2.gz HYBNLPXDQRTLPS-ZDUSSCGKSA-N 0 3 312.369 2.173 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001015494427 787082324 /nfs/dbraw/zinc/08/23/24/787082324.db2.gz AEFWJBYBTVITQB-ZDUSSCGKSA-N 0 3 318.446 2.013 20 30 DEEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC2CC2)cc1 ZINC001114086432 787096396 /nfs/dbraw/zinc/09/63/96/787096396.db2.gz WLTRRSXTVMPOCZ-DZFIZOCASA-N 0 3 309.413 2.295 20 30 DEEDHN CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001170433180 787106593 /nfs/dbraw/zinc/10/65/93/787106593.db2.gz XUIMEOODSXLRFD-KGLIPLIRSA-N 0 3 322.405 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001015655334 787162211 /nfs/dbraw/zinc/16/22/11/787162211.db2.gz NGOJYXTYXLBGBG-CQSZACIVSA-N 0 3 308.784 2.235 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2CCN(C[C@@H]3CCCCO3)C2)CC1 ZINC001015659538 787165466 /nfs/dbraw/zinc/16/54/66/787165466.db2.gz DCCIHQRDJCCGSE-IRXDYDNUSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1ccc(Cl)nc1 ZINC001129514390 787223197 /nfs/dbraw/zinc/22/31/97/787223197.db2.gz RPVJRDKMJAOHTK-UHFFFAOYSA-N 0 3 318.808 2.242 20 30 DEEDHN COCCC[C@H](C)C(=O)NCCCNCc1ccccc1C#N ZINC001170476227 787287497 /nfs/dbraw/zinc/28/74/97/787287497.db2.gz FYSICIBLPKORTI-HNNXBMFYSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCCOCCCCC(=O)NCCCNCc1cnoc1C ZINC001157932039 787317546 /nfs/dbraw/zinc/31/75/46/787317546.db2.gz GYRRSBOYIPWDCQ-UHFFFAOYSA-N 0 3 323.437 2.342 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(C3CC3)CC2)C1 ZINC001130399201 787383883 /nfs/dbraw/zinc/38/38/83/787383883.db2.gz PKEHSNQSUDMGNM-ZDUSSCGKSA-N 0 3 314.433 2.191 20 30 DEEDHN CCOC(=O)C1=C(Nc2cccc(CC#N)c2F)CCNC1 ZINC001170517289 787482710 /nfs/dbraw/zinc/48/27/10/787482710.db2.gz POGIESHKCMYAMA-UHFFFAOYSA-N 0 3 303.337 2.114 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001130990803 787521085 /nfs/dbraw/zinc/52/10/85/787521085.db2.gz JQPYRXXKXKRFPL-CYBMUJFWSA-N 0 3 313.401 2.202 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(Cl)c1)C2 ZINC001096166465 787551164 /nfs/dbraw/zinc/55/11/64/787551164.db2.gz RJEQTSYZQRRBQN-ILXRZTDVSA-N 0 3 303.793 2.093 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ncoc2CC)C1 ZINC001086661541 787571478 /nfs/dbraw/zinc/57/14/78/787571478.db2.gz WJXGRTSKSFOHFL-NWDGAFQWSA-N 0 3 311.813 2.478 20 30 DEEDHN C[C@@H](Nc1nccc(-c2ccccc2)c1C#N)[C@H]1CNCCO1 ZINC001170558832 787611956 /nfs/dbraw/zinc/61/19/56/787611956.db2.gz RHMDUKNXYDCADN-CXAGYDPISA-N 0 3 308.385 2.409 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCOCC)C[C@@H](C)O2 ZINC001131639119 787668861 /nfs/dbraw/zinc/66/88/61/787668861.db2.gz SMGKDYLHPZMKOM-SJLPKXTDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)COC(C)(C)C)C[C@@H](C)O2 ZINC001131650454 787672511 /nfs/dbraw/zinc/67/25/11/787672511.db2.gz UVPIGMZUELJAOV-QAPCUYQASA-N 0 3 324.465 2.069 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)n1c(C)ccc1C)C2 ZINC001096607175 787756908 /nfs/dbraw/zinc/75/69/08/787756908.db2.gz VWGBMXHWDVBYCH-BDXSIMOUSA-N 0 3 313.445 2.411 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)COC2CCCC2)CC[C@@H]1C ZINC001131855712 787774382 /nfs/dbraw/zinc/77/43/82/787774382.db2.gz AWHUITLQAHJYHH-HOTGVXAUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2CC(F)(F)C2)CC[C@@H]1C ZINC001131959929 787852562 /nfs/dbraw/zinc/85/25/62/787852562.db2.gz JDOVZLYHDDOXNJ-JSGCOSHPSA-N 0 3 316.392 2.203 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132095565 787925858 /nfs/dbraw/zinc/92/58/58/787925858.db2.gz ZSCBJOQACLHFNP-UONOGXRCSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C(C)(C)C)C2 ZINC001097100326 787979280 /nfs/dbraw/zinc/97/92/80/787979280.db2.gz LEHZNGFSWBSFSE-MCIONIFRSA-N 0 3 314.433 2.066 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132228650 787982117 /nfs/dbraw/zinc/98/21/17/787982117.db2.gz USFFVXIEQCOMNL-SJORKVTESA-N 0 3 316.449 2.046 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132253187 787991404 /nfs/dbraw/zinc/99/14/04/787991404.db2.gz PJYZBYHWGOIZSY-JKSUJKDBSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132301802 788010036 /nfs/dbraw/zinc/01/00/36/788010036.db2.gz HHOASOZJISEXCL-UHFFFAOYSA-N 0 3 317.433 2.453 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(OC)cc1F)C2 ZINC001097188028 788014560 /nfs/dbraw/zinc/01/45/60/788014560.db2.gz RSDHRLHCVQNIBK-DFBGVHRSSA-N 0 3 319.380 2.141 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCC(=O)N(CC)CC)CC[C@H]1C ZINC001132353419 788035019 /nfs/dbraw/zinc/03/50/19/788035019.db2.gz GDDJKAZYOCJXIL-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC1(CC(=O)N[C@H]2CC[C@@H](C)N(CCO)C2)CCCCC1 ZINC001132348986 788040388 /nfs/dbraw/zinc/04/03/88/788040388.db2.gz VYOOOWCWYWGCAF-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2ccncc2)CC[C@H]1C ZINC001132383659 788051346 /nfs/dbraw/zinc/05/13/46/788051346.db2.gz BVQGHKQGRUMCBM-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)C(F)(F)F ZINC001132475115 788094360 /nfs/dbraw/zinc/09/43/60/788094360.db2.gz SIAFHXUISQLXEE-SECBINFHSA-N 0 3 317.286 2.102 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COCc2ccccc2)CC[C@H]1C ZINC001132479152 788095671 /nfs/dbraw/zinc/09/56/71/788095671.db2.gz WDLOFYHNUZZKQZ-SJLPKXTDSA-N 0 3 314.429 2.196 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2c[nH]cc2C)CC[C@@H]1C ZINC001132482522 788097812 /nfs/dbraw/zinc/09/78/12/788097812.db2.gz WLYPWSOHRZQECO-LSDHHAIUSA-N 0 3 305.422 2.108 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCC(=O)N(CC)CC)CC[C@H]1C ZINC001132505718 788108203 /nfs/dbraw/zinc/10/82/03/788108203.db2.gz UYPAAXKXWLDREU-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C/C(C)=C\CC(=O)NCCN[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001132515865 788113019 /nfs/dbraw/zinc/11/30/19/788113019.db2.gz MSKAAHJJFUBTHJ-TYWAAFNRSA-N 0 3 321.465 2.028 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132532308 788122075 /nfs/dbraw/zinc/12/20/75/788122075.db2.gz AWQFHEPTOPJVIT-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)C1(CC)CCC1 ZINC001132583952 788130114 /nfs/dbraw/zinc/13/01/14/788130114.db2.gz GNHZOWDLGWMPQJ-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nccn31)C2 ZINC001097528646 788131950 /nfs/dbraw/zinc/13/19/50/788131950.db2.gz ORUVLNKCIDSKFH-KFWWJZLASA-N 0 3 310.401 2.246 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)ccc1OC)C2 ZINC001097611035 788145409 /nfs/dbraw/zinc/14/54/09/788145409.db2.gz QQACFIUQNNRGPT-BMFZPTHFSA-N 0 3 316.376 2.193 20 30 DEEDHN Cc1coc(C(=O)NCCNCc2ccc(C#N)c(F)c2)c1 ZINC001132640918 788149637 /nfs/dbraw/zinc/14/96/37/788149637.db2.gz MGJAWNMKFOTRFN-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132659827 788157931 /nfs/dbraw/zinc/15/79/31/788157931.db2.gz FGGDJOYVJBFXRJ-CQSZACIVSA-N 0 3 318.417 2.266 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccc(F)cc31)C2 ZINC001097726674 788201555 /nfs/dbraw/zinc/20/15/55/788201555.db2.gz HZCNSGKQMOAZMV-DDBAPUKQSA-N 0 3 312.388 2.210 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)CC1 ZINC001097788273 788235374 /nfs/dbraw/zinc/23/53/74/788235374.db2.gz ATGYHDNFOJKCFL-DZUCGIPZSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC001133154592 788296879 /nfs/dbraw/zinc/29/68/79/788296879.db2.gz LNVDPHAXCNPTEI-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCCC(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001133154171 788297279 /nfs/dbraw/zinc/29/72/79/788297279.db2.gz CYSPCULOPZSSIV-UHFFFAOYSA-N 0 3 303.406 2.207 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)C(F)(F)F ZINC001133227708 788323195 /nfs/dbraw/zinc/32/31/95/788323195.db2.gz IVKXGIXVWMGMCH-LLVKDONJSA-N 0 3 313.323 2.353 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)s1)C(F)(F)F ZINC001133227634 788323599 /nfs/dbraw/zinc/32/35/99/788323599.db2.gz HDBAGIJDBWWPML-VIFPVBQESA-N 0 3 319.352 2.414 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCC(=O)N1CCCCCCC1 ZINC001133381095 788393676 /nfs/dbraw/zinc/39/36/76/788393676.db2.gz VYWNSJXSUNUENR-GOSISDBHSA-N 0 3 323.481 2.087 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2CCC(F)CC2)cc1 ZINC001133384959 788395862 /nfs/dbraw/zinc/39/58/62/788395862.db2.gz MNBAIEVXFYEMOD-UHFFFAOYSA-N 0 3 303.381 2.292 20 30 DEEDHN C=CCC1(C(=O)NCCNCC(=O)N(CCC)CCC)CCC1 ZINC001133392004 788399574 /nfs/dbraw/zinc/39/95/74/788399574.db2.gz CATQZHZKOHDBAR-UHFFFAOYSA-N 0 3 323.481 2.087 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001133474386 788444458 /nfs/dbraw/zinc/44/44/58/788444458.db2.gz SLZHSDBPSRDUEI-DTWKUNHWSA-N 0 3 313.186 2.423 20 30 DEEDHN CC(C)(C(=O)NCCNCc1ccc(C#N)s1)C(F)F ZINC001133571632 788494057 /nfs/dbraw/zinc/49/40/57/788494057.db2.gz VVYSMPSHWMPSGE-UHFFFAOYSA-N 0 3 301.362 2.117 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001133656509 788540409 /nfs/dbraw/zinc/54/04/09/788540409.db2.gz BAJXDFZUKUEWML-QWRGUYRKSA-N 0 3 314.227 2.410 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)CSCC#N)NC/C(Cl)=C/Cl ZINC001133735342 788587139 /nfs/dbraw/zinc/58/71/39/788587139.db2.gz CPNHIHFSCFLREG-GETOITAFSA-N 0 3 324.277 2.435 20 30 DEEDHN CCc1ccc([C@H](C)CC(=O)NCCNCC#CCOC)cc1 ZINC001133756700 788594818 /nfs/dbraw/zinc/59/48/18/788594818.db2.gz AMLZOTHLLYRQKS-MRXNPFEDSA-N 0 3 316.445 2.098 20 30 DEEDHN CC(C)OCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133858227 788642322 /nfs/dbraw/zinc/64/23/22/788642322.db2.gz SECMTGPFWNPYHJ-HUUCEWRRSA-N 0 3 317.433 2.356 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134018931 788715034 /nfs/dbraw/zinc/71/50/34/788715034.db2.gz QPDZAROIBSPIRN-ZIAGYGMSSA-N 0 3 323.437 2.339 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2(CF)CCC2)ccc1F ZINC001134040777 788727995 /nfs/dbraw/zinc/72/79/95/788727995.db2.gz SUTIFHLCIDTBGR-UHFFFAOYSA-N 0 3 307.344 2.043 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001134062012 788742059 /nfs/dbraw/zinc/74/20/59/788742059.db2.gz NWWIVZVLNQLOSL-CVEARBPZSA-N 0 3 314.385 2.230 20 30 DEEDHN C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134418161 788921816 /nfs/dbraw/zinc/92/18/16/788921816.db2.gz GNKVLWQZFXCHIU-OLZOCXBDSA-N 0 3 315.421 2.411 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1cnco1)NCc1ccccc1C#N ZINC001135116416 789205792 /nfs/dbraw/zinc/20/57/92/789205792.db2.gz UAKCEZUBPILRFG-STQMWFEESA-N 0 3 312.373 2.233 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001070418315 789318233 /nfs/dbraw/zinc/31/82/33/789318233.db2.gz LWQUUXVOKDJDKL-DDUZABMNSA-N 0 3 314.433 2.191 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nccn1C ZINC001135562414 789400344 /nfs/dbraw/zinc/40/03/44/789400344.db2.gz ZAFHVISHSNSQGD-ZIAGYGMSSA-N 0 3 306.454 2.395 20 30 DEEDHN C=C(Br)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001086777969 789493684 /nfs/dbraw/zinc/49/36/84/789493684.db2.gz SIAWJMJRHHBQMI-GWNIPJSYSA-N 0 3 315.255 2.426 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)c1cccs1)C[C@H](C)O2 ZINC001071129045 789542763 /nfs/dbraw/zinc/54/27/63/789542763.db2.gz DKCPYQPXWTWXAO-WMLDXEAASA-N 0 3 318.442 2.077 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)=C1CCC1)C[C@@H](C)O2 ZINC001071168999 789571756 /nfs/dbraw/zinc/57/17/56/789571756.db2.gz KPOAFDNSLQXWML-DNVCBOLYSA-N 0 3 316.445 2.202 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nc(C)sc2C)CC[C@H]1C ZINC001071606277 789808556 /nfs/dbraw/zinc/80/85/56/789808556.db2.gz GTELSZLMHXGVFU-RISCZKNCSA-N 0 3 305.447 2.366 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3nc[nH]c3n2)CC[C@H]1C ZINC001071610327 789813644 /nfs/dbraw/zinc/81/36/44/789813644.db2.gz SIMGQNRGHBAIRQ-CHWSQXEVSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)CC[C@@H]1C ZINC001071610330 789814017 /nfs/dbraw/zinc/81/40/17/789814017.db2.gz SIMGQNRGHBAIRQ-STQMWFEESA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)CC[C@H]1C ZINC001071634494 789828852 /nfs/dbraw/zinc/82/88/52/789828852.db2.gz DGNSKNDFINVSAY-ZBFHGGJFSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)CC[C@H]1C ZINC001071656475 789846289 /nfs/dbraw/zinc/84/62/89/789846289.db2.gz YINMGMXJPJGZPJ-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C2CCOCC2)CC[C@H]1C ZINC001071667567 789852726 /nfs/dbraw/zinc/85/27/26/789852726.db2.gz ZHIKMULEGISJGB-NVXWUHKLSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)CC[C@@H]1C ZINC001071717606 789884394 /nfs/dbraw/zinc/88/43/94/789884394.db2.gz GSHKBBIECOACKL-YOEHRIQHSA-N 0 3 314.429 2.319 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)CC[C@@H]1C ZINC001071720917 789888988 /nfs/dbraw/zinc/88/89/88/789888988.db2.gz JMYFMTSZIXXPIO-UONOGXRCSA-N 0 3 303.406 2.173 20 30 DEEDHN C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001071761817 789907730 /nfs/dbraw/zinc/90/77/30/789907730.db2.gz CTRMHOSLMPCFCR-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CC[C@H]1C ZINC001071761817 789907734 /nfs/dbraw/zinc/90/77/34/789907734.db2.gz CTRMHOSLMPCFCR-OCCSQVGLSA-N 0 3 318.421 2.040 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cnccc3n2)CC[C@H]1C ZINC001071839263 789938182 /nfs/dbraw/zinc/93/81/82/789938182.db2.gz CUYKJIACMDCNTH-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnc(C)nc2C)CC[C@@H]1C ZINC001071907934 789968800 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C=CC(C)(C)C(=O)N1CC[C@H](C)[C@@H](CNCc2cnns2)C1 ZINC001072337360 790118675 /nfs/dbraw/zinc/11/86/75/790118675.db2.gz XPCNHZOTRYCKHJ-STQMWFEESA-N 0 3 322.478 2.325 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](C)[C@H](CNCc2nccn2C)C1 ZINC001072340697 790120126 /nfs/dbraw/zinc/12/01/26/790120126.db2.gz NUJFZSJXVKCQGJ-LSDHHAIUSA-N 0 3 318.465 2.207 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001072428158 790142275 /nfs/dbraw/zinc/14/22/75/790142275.db2.gz IGSDDTUUDCCEES-YOEHRIQHSA-N 0 3 309.413 2.249 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccnn3CC3CCC3)C2)C1 ZINC001072743644 790236080 /nfs/dbraw/zinc/23/60/80/790236080.db2.gz XHAURSYNKQKURB-UHFFFAOYSA-N 0 3 314.433 2.017 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1 ZINC001072750396 790236756 /nfs/dbraw/zinc/23/67/56/790236756.db2.gz SFLJLVZBXOGIQM-HOTGVXAUSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)Oc3ccccc3F)C2)C1 ZINC001072771001 790242406 /nfs/dbraw/zinc/24/24/06/790242406.db2.gz 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ZINC001098537840 791648996 /nfs/dbraw/zinc/64/89/96/791648996.db2.gz SZYLGMXIYALOBI-UHFFFAOYSA-N 0 3 312.413 2.285 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](OCC)C3CCCC3)C2)C1 ZINC001148005064 791663660 /nfs/dbraw/zinc/66/36/60/791663660.db2.gz INCHYANDBIYDCQ-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1CCC3)C[C@H](C)O2 ZINC001098619556 791663965 /nfs/dbraw/zinc/66/39/65/791663965.db2.gz GZCYKWIZFMGYIY-FRQCXROJSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(CF)CCC1)C[C@@H](C)O2 ZINC001098639203 791665844 /nfs/dbraw/zinc/66/58/44/791665844.db2.gz NMDJIDDPWGIYPP-OAHLLOKOSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC2(C1)CCN(CCOCC1CC1)C2 ZINC001148045338 791670083 /nfs/dbraw/zinc/67/00/83/791670083.db2.gz KLTSLCDDBUVIBH-UHFFFAOYSA-N 0 3 306.450 2.160 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCOc3ccccc3)C2)C1 ZINC001148755338 791800372 /nfs/dbraw/zinc/80/03/72/791800372.db2.gz VJIUEFWZCCUVJB-UHFFFAOYSA-N 0 3 300.402 2.176 20 30 DEEDHN CCCCCCCCCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001148763989 791802695 /nfs/dbraw/zinc/80/26/95/791802695.db2.gz MRNZLRYBEGJLAI-OAHLLOKOSA-N 0 3 311.470 2.112 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccn(C)c3)C2)CC1 ZINC001086916973 791849689 /nfs/dbraw/zinc/84/96/89/791849689.db2.gz WRQBSOFAAONKGH-INIZCTEOSA-N 0 3 313.445 2.365 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3csnc3C)C2)CC1 ZINC001086918658 791850424 /nfs/dbraw/zinc/85/04/24/791850424.db2.gz UHBGISYUBVCKFI-CYBMUJFWSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C/c3ccc[nH]3)C2)CC1 ZINC001086919504 791851688 /nfs/dbraw/zinc/85/16/88/791851688.db2.gz QJSGRMWJHZMAMT-FYCOFBDGSA-N 0 3 311.429 2.364 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC001086938592 791855942 /nfs/dbraw/zinc/85/59/42/791855942.db2.gz VEYCHLDKXRDECP-MWDXBVQZSA-N 0 3 300.446 2.369 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ncccc3F)C2)CC1 ZINC001086951269 791862679 /nfs/dbraw/zinc/86/26/79/791862679.db2.gz ZBHDIWWDSAYROU-AWEZNQCLSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)sc3C)C[C@]2(C)C1 ZINC001091828872 791887512 /nfs/dbraw/zinc/88/75/12/791887512.db2.gz BIXZDMDHGHEXKS-PBHICJAKSA-N 0 3 302.443 2.392 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091919474 791901780 /nfs/dbraw/zinc/90/17/80/791901780.db2.gz BEDJFGNSVGKHMQ-ZESCBINXSA-N 0 3 323.440 2.495 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccn(C(C)C)c3C)C[C@]2(C)C1 ZINC001091942412 791908734 /nfs/dbraw/zinc/90/87/34/791908734.db2.gz ARRWAFDRZFEVFY-APWZRJJASA-N 0 3 313.445 2.405 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@]2(C)C1 ZINC001092029528 791925104 /nfs/dbraw/zinc/92/51/04/791925104.db2.gz VUMKNSSUHRSNAS-MTNOOBJLSA-N 0 3 302.462 2.472 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3csc(Cl)c3)C[C@]2(C)C1 ZINC001092072225 791928233 /nfs/dbraw/zinc/92/82/33/791928233.db2.gz PREOVTNMUKKITE-DOMZBBRYSA-N 0 3 308.834 2.429 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3ccc(Cl)s3)C[C@]2(C)C1 ZINC001092077634 791929070 /nfs/dbraw/zinc/92/90/70/791929070.db2.gz HWDXEVQUKRNMJV-WBMJQRKESA-N 0 3 322.861 2.358 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ncccc3Cl)C[C@]2(C)C1 ZINC001092216015 791947646 /nfs/dbraw/zinc/94/76/46/791947646.db2.gz YVQVVBQNKGNGFO-DYVFJYSZSA-N 0 3 317.820 2.152 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001098838476 791960500 /nfs/dbraw/zinc/96/05/00/791960500.db2.gz ZVSTXEGWLHURHA-YJBOKZPZSA-N 0 3 314.433 2.378 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3sccc3CC)C[C@]2(C)C1 ZINC001092297911 791972202 /nfs/dbraw/zinc/97/22/02/791972202.db2.gz FSKYOBQDCPTFFT-PBHICJAKSA-N 0 3 302.443 2.338 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c3ccccc23)C1 ZINC001098927085 791987838 /nfs/dbraw/zinc/98/78/38/791987838.db2.gz HQTDOFHBNAFQQN-LIRRHRJNSA-N 0 3 307.397 2.385 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(C)c2CC)C1 ZINC001099027216 792044626 /nfs/dbraw/zinc/04/46/26/792044626.db2.gz KTLDUKCMSNGBPA-KSSFIOAISA-N 0 3 301.434 2.358 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)nc2OC)C1 ZINC001099068533 792072718 /nfs/dbraw/zinc/07/27/18/792072718.db2.gz YULHNURFNWZDJJ-KSSFIOAISA-N 0 3 315.417 2.169 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C(F)(F)F ZINC001099210020 792138220 /nfs/dbraw/zinc/13/82/20/792138220.db2.gz FWJGZJUKUXZACQ-ZYHUDNBSSA-N 0 3 301.312 2.183 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1C(F)(F)F ZINC001099217694 792142656 /nfs/dbraw/zinc/14/26/56/792142656.db2.gz UXBUSWZPPCTXFX-CHWSQXEVSA-N 0 3 320.355 2.111 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001099263806 792154835 /nfs/dbraw/zinc/15/48/35/792154835.db2.gz IWCCIUVWNNTTJX-ZBFHGGJFSA-N 0 3 318.465 2.381 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001099280627 792158208 /nfs/dbraw/zinc/15/82/08/792158208.db2.gz IYWVHFJXEUJAFT-MAUKXSAKSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc(CC)on2)C[C@H]1C(F)(F)F ZINC001099333705 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C=C[C@@H](CC)CC(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100596345 792740982 /nfs/dbraw/zinc/74/09/82/792740982.db2.gz PZUTUZUIFOTTKP-NFOMZHRRSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)NCC1CC(N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001100623158 792754704 /nfs/dbraw/zinc/75/47/04/792754704.db2.gz AHVWLCCTQSGRQV-IYXRBSQSSA-N 0 3 319.453 2.269 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100623169 792755054 /nfs/dbraw/zinc/75/50/54/792755054.db2.gz ARXMWCJIIRDZID-UHFFFAOYSA-N 0 3 308.451 2.187 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2cnc(C)cn2)C1 ZINC001100624452 792756817 /nfs/dbraw/zinc/75/68/17/792756817.db2.gz LRTBUDANHYILCB-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100644857 792764017 /nfs/dbraw/zinc/76/40/17/792764017.db2.gz KKINXRMYIZPGDN-PVARCSIZSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001100765094 792831861 /nfs/dbraw/zinc/83/18/61/792831861.db2.gz SHRKDTDUTMGFCI-GWMXKSKGSA-N 0 3 324.856 2.367 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3sccc3F)CCC[C@@H]12 ZINC001094404068 792892924 /nfs/dbraw/zinc/89/29/24/792892924.db2.gz JYLYJPWEBXZGKK-CZUORRHYSA-N 0 3 306.406 2.495 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001101084374 793008332 /nfs/dbraw/zinc/00/83/32/793008332.db2.gz RBEQRUQZLDVSBO-OPFPJEHXSA-N 0 3 314.857 2.286 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001101229102 793077442 /nfs/dbraw/zinc/07/74/42/793077442.db2.gz JTOLEZAWZHOPLG-MJGOQNOKSA-N 0 3 311.429 2.021 20 30 DEEDHN C=CCCCC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001101346696 793130107 /nfs/dbraw/zinc/13/01/07/793130107.db2.gz CACYJIPVDYFQLX-AEFFLSMTSA-N 0 3 316.449 2.057 20 30 DEEDHN C=CC[C@@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171732490 793187374 /nfs/dbraw/zinc/18/73/74/793187374.db2.gz BDXKKUDMOMOVSP-DJIMGWMZSA-N 0 3 302.418 2.357 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240861 793382919 /nfs/dbraw/zinc/38/29/19/793382919.db2.gz NUFIJFPMLZLGFK-UCMJJCQDSA-N 0 3 315.417 2.008 20 30 DEEDHN C[C@@H]1CN(Cc2cccnc2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101954756 793459412 /nfs/dbraw/zinc/45/94/12/793459412.db2.gz BCWGRSUIYSAYOQ-NVXWUHKLSA-N 0 3 313.445 2.315 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102219522 793533514 /nfs/dbraw/zinc/53/35/14/793533514.db2.gz LBHDQENRAZLWSG-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102262783 793548898 /nfs/dbraw/zinc/54/88/98/793548898.db2.gz LKGHNKBGAIUCPN-OWCLPIDISA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCN(CC)C1 ZINC001173351402 793685432 /nfs/dbraw/zinc/68/54/32/793685432.db2.gz AMGCIPHYSGMKFX-SJORKVTESA-N 0 3 302.418 2.011 20 30 DEEDHN C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688380 793711679 /nfs/dbraw/zinc/71/16/79/793711679.db2.gz HKKOLYABXDNEKD-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102688380 793711684 /nfs/dbraw/zinc/71/16/84/793711684.db2.gz HKKOLYABXDNEKD-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCOC2)C1 ZINC001102765707 793746702 /nfs/dbraw/zinc/74/67/02/793746702.db2.gz DYESBRTXXIIMHW-BPLDGKMQSA-N 0 3 314.857 2.240 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)OC(C)(C)C)[C@](CC)(C(=O)OC)C1 ZINC001173519293 793757712 /nfs/dbraw/zinc/75/77/12/793757712.db2.gz MHXDNHKSOPYWHO-WBMJQRKESA-N 0 3 312.410 2.093 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H](N)C1CN(C2CCC(C)(C#N)CC2)C1 ZINC001173593464 793774669 /nfs/dbraw/zinc/77/46/69/793774669.db2.gz PHTMXVQQHIKLTR-UUCFBXCCSA-N 0 3 307.438 2.060 20 30 DEEDHN CC(=O)N1CCC[C@@]2(C1)CN(C1CCC(C)(C#N)CC1)CCO2 ZINC001173596541 793776247 /nfs/dbraw/zinc/77/62/47/793776247.db2.gz ZZMZIXQWICDFHS-DAWZGUTISA-N 0 3 319.449 2.172 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2nccn2CC)C1 ZINC001102923292 793822761 /nfs/dbraw/zinc/82/27/61/793822761.db2.gz BUQASQYWMZMGSG-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC2(O)CCC2)C1 ZINC001102961600 793839569 /nfs/dbraw/zinc/83/95/69/793839569.db2.gz JEHNCWITQXCJMJ-TZMCWYRMSA-N 0 3 314.857 2.118 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)CCCCNCc1ccn(C)n1 ZINC001174799458 794079038 /nfs/dbraw/zinc/07/90/38/794079038.db2.gz WLGBVJOYBVPCBR-INIZCTEOSA-N 0 3 318.465 2.378 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001174849156 794085825 /nfs/dbraw/zinc/08/58/25/794085825.db2.gz KCDQTHVLGPCSMG-UONOGXRCSA-N 0 3 321.469 2.480 20 30 DEEDHN CCN1CCN(c2ccc(Nc3c(C#N)cnn3C)cc2)CC1 ZINC001175779652 794287293 /nfs/dbraw/zinc/28/72/93/794287293.db2.gz NPGFBXWSAMWHIA-UHFFFAOYSA-N 0 3 310.405 2.177 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(CC)n2)C1 ZINC001103978146 794335574 /nfs/dbraw/zinc/33/55/74/794335574.db2.gz WEONVEQYZJKMDF-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN CC(C)N(C)CC(=O)NC[C@H](C)CNc1cccc(F)c1C#N ZINC001104000890 794340962 /nfs/dbraw/zinc/34/09/62/794340962.db2.gz VYGNWDPEPASOPT-CYBMUJFWSA-N 0 3 320.412 2.202 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CCNCC(=C)Cl)C1 ZINC001104128334 794389538 /nfs/dbraw/zinc/38/95/38/794389538.db2.gz DZNXFCALSIUQIR-XPKDYRNWSA-N 0 3 314.857 2.140 20 30 DEEDHN C#CCOCCN1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001176544802 794442057 /nfs/dbraw/zinc/44/20/57/794442057.db2.gz MBLVGLPGYXQAAH-CRAIPNDOSA-N 0 3 322.449 2.406 20 30 DEEDHN C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[n-]2)C1 ZINC001111796141 794484288 /nfs/dbraw/zinc/48/42/88/794484288.db2.gz WNAZFXSVYJXPIB-YOEHRIQHSA-N 0 3 317.437 2.135 20 30 DEEDHN C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[n-]2)C1 ZINC001111796141 794484294 /nfs/dbraw/zinc/48/42/94/794484294.db2.gz WNAZFXSVYJXPIB-YOEHRIQHSA-N 0 3 317.437 2.135 20 30 DEEDHN C=CCCOCC(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001176801759 794514579 /nfs/dbraw/zinc/51/45/79/794514579.db2.gz QUNHJVSYWWOPRH-CQSZACIVSA-N 0 3 323.437 2.340 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)CN(C)CCC)C1 ZINC001111950886 794532736 /nfs/dbraw/zinc/53/27/36/794532736.db2.gz GVNKDQHFKAJHJQ-HOCLYGCPSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1csc(CC)n1 ZINC001176916290 794537861 /nfs/dbraw/zinc/53/78/61/794537861.db2.gz BHVUHHPSXNAVIJ-UHFFFAOYSA-N 0 3 301.843 2.096 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](CC)OC)C1 ZINC001112068379 794553652 /nfs/dbraw/zinc/55/36/52/794553652.db2.gz VRKHUUIIZOZVTD-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H](C)COC)C1 ZINC001112143043 794564392 /nfs/dbraw/zinc/56/43/92/794564392.db2.gz FWQOSHYIYQZICB-QJPTWQEYSA-N 0 3 322.371 2.212 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@H](C)C1CC1 ZINC001177046178 794565355 /nfs/dbraw/zinc/56/53/55/794565355.db2.gz BVYYIOWRDDQFMC-JTQLQIEISA-N 0 3 303.244 2.427 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001177247187 794618716 /nfs/dbraw/zinc/61/87/16/794618716.db2.gz FALAYYBHPMLUIY-CQSZACIVSA-N 0 3 314.788 2.362 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)c1ccccc1 ZINC001115181748 794697763 /nfs/dbraw/zinc/69/77/63/794697763.db2.gz AMRVMLCTQXNJLE-NWGLXNPWSA-N 0 3 314.429 2.039 20 30 DEEDHN C=CCCC(=O)NCC1(NCc2cnnn2CC)CCCCC1 ZINC001115442514 794774391 /nfs/dbraw/zinc/77/43/91/794774391.db2.gz CGBJMBCQUMIEDJ-UHFFFAOYSA-N 0 3 319.453 2.173 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)COC)CCCCC1 ZINC001115446752 794775607 /nfs/dbraw/zinc/77/56/07/794775607.db2.gz JGHMMSHPFUUESS-GFCCVEGCSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)C(F)F ZINC001177977617 794797519 /nfs/dbraw/zinc/79/75/19/794797519.db2.gz JYDOQAMOKPEFHG-FZMZJTMJSA-N 0 3 310.319 2.021 20 30 DEEDHN CC(C)N(C)CC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1C#N ZINC001115752306 794907672 /nfs/dbraw/zinc/90/76/72/794907672.db2.gz XOGZTRDWIRRWRZ-CYBMUJFWSA-N 0 3 320.412 2.296 20 30 DEEDHN Cc1cc(CNCCCCCCNC(=O)C#CC(C)C)on1 ZINC001178423415 794924510 /nfs/dbraw/zinc/92/45/10/794924510.db2.gz JTEIQEDCYUOSOT-UHFFFAOYSA-N 0 3 305.422 2.409 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179212436 795076524 /nfs/dbraw/zinc/07/65/24/795076524.db2.gz NYUQBNAJVMNSTO-UHFFFAOYSA-N 0 3 321.469 2.184 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179322698 795100291 /nfs/dbraw/zinc/10/02/91/795100291.db2.gz WQILPKQIALTOOD-USJZOSNVSA-N 0 3 314.404 2.412 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2n[nH]c(C3CC3)n2)[C@@H]1C ZINC001179463486 795119652 /nfs/dbraw/zinc/11/96/52/795119652.db2.gz ICHYAWWUWTYOSF-JSGCOSHPSA-N 0 3 317.437 2.117 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(OC)c(O)c1 ZINC001179672338 795158640 /nfs/dbraw/zinc/15/86/40/795158640.db2.gz QXJLWBDROCJABG-HEWZJLJBSA-N 0 3 316.401 2.181 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(CC=C)CCCC2)C1 ZINC001150884208 795179445 /nfs/dbraw/zinc/17/94/45/795179445.db2.gz UZVSEARWEVRAHN-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@H]2CCN([C@@H](C)c3ccccc3)C2)C1=O ZINC001119697390 795340568 /nfs/dbraw/zinc/34/05/68/795340568.db2.gz MPQVLTIRSJGGFH-BPUTZDHNSA-N 0 3 313.401 2.318 20 30 DEEDHN C[C@H](N[C@@H]1CCN(C(=O)CSCC#N)C1)c1ccccc1F ZINC001181123204 795426128 /nfs/dbraw/zinc/42/61/28/795426128.db2.gz BTPZYVFHKJIHIX-QWHCGFSZSA-N 0 3 321.421 2.334 20 30 DEEDHN C=CCOCCCC(=O)NC1(CCOC)CCN(CC=C)CC1 ZINC001151047659 795487297 /nfs/dbraw/zinc/48/72/97/795487297.db2.gz UYHFUGNISARTIU-UHFFFAOYSA-N 0 3 324.465 2.143 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CC2(CC(NC/C(Cl)=C/Cl)C2)C1 ZINC001120854339 795543751 /nfs/dbraw/zinc/54/37/51/795543751.db2.gz PMZQQVYQLONJCS-BQMCCAEKSA-N 0 3 316.232 2.482 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC001121900474 795701763 /nfs/dbraw/zinc/70/17/63/795701763.db2.gz HDIKVVSJACQSHK-QGZVFWFLSA-N 0 3 317.433 2.141 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC001121946084 795707973 /nfs/dbraw/zinc/70/79/73/795707973.db2.gz LPLFXKOXIVPMQJ-IRXDYDNUSA-N 0 3 301.434 2.185 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCN(C(=O)CC)C1 ZINC001121969728 795711166 /nfs/dbraw/zinc/71/11/66/795711166.db2.gz YOTBXRMUQAWPFZ-CABCVRRESA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001122130712 795728829 /nfs/dbraw/zinc/72/88/29/795728829.db2.gz NXNGBMYNEKPRQJ-IRXDYDNUSA-N 0 3 312.417 2.424 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(CC)c1 ZINC001122708259 795796165 /nfs/dbraw/zinc/79/61/65/795796165.db2.gz UICQCDDHNBJSDA-CYBMUJFWSA-N 0 3 320.776 2.292 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@@H]2CC=CCC2)ccc1F ZINC001123381580 795903996 /nfs/dbraw/zinc/90/39/96/795903996.db2.gz MECVGCYBPXSRSM-CQSZACIVSA-N 0 3 301.365 2.259 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2cc(Cl)c[nH]2)ccc1F ZINC001123466593 795917035 /nfs/dbraw/zinc/91/70/35/795917035.db2.gz IRVVKBXQWLZCAB-UHFFFAOYSA-N 0 3 320.755 2.198 20 30 DEEDHN CCCCCC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001123573071 795936332 /nfs/dbraw/zinc/93/63/32/795936332.db2.gz CHNQXOVLBYVNAJ-UHFFFAOYSA-N 0 3 303.406 2.353 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C(=C)CC(=O)OCCCC ZINC001184313056 796032684 /nfs/dbraw/zinc/03/26/84/796032684.db2.gz DIPHYTHUSTXPNN-HNNXBMFYSA-N 0 3 308.422 2.043 20 30 DEEDHN C=CCOCCCC(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001125248224 796108931 /nfs/dbraw/zinc/10/89/31/796108931.db2.gz QDNOMDFPZKGPLN-UHFFFAOYSA-N 0 3 324.396 2.023 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2cnns2)[C@H](C)C1 ZINC001185061234 796172661 /nfs/dbraw/zinc/17/26/61/796172661.db2.gz KKAZYONFUHTQRY-KGLIPLIRSA-N 0 3 322.478 2.469 20 30 DEEDHN C#CCOc1ccc(CN2CCC(O)(CC)CC2)cc1OC ZINC001138348479 796203288 /nfs/dbraw/zinc/20/32/88/796203288.db2.gz KGRGHGNBTVUNDI-UHFFFAOYSA-N 0 3 303.402 2.444 20 30 DEEDHN C=CCOC(=O)N1CCC2(C[NH+](Cc3ncccc3[O-])C2)CC1 ZINC001138390624 796210983 /nfs/dbraw/zinc/21/09/83/796210983.db2.gz DCCMFILEYRBIQZ-UHFFFAOYSA-N 0 3 317.389 2.008 20 30 DEEDHN C=CCc1cccc(CN2CCN([C@H]3CCOC3)CC2)c1O ZINC001138625217 796245947 /nfs/dbraw/zinc/24/59/47/796245947.db2.gz HNARZISYTYWQSJ-KRWDZBQOSA-N 0 3 302.418 2.027 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](NC(=O)NC)C2)c1[O-] ZINC001138631297 796246769 /nfs/dbraw/zinc/24/67/69/796246769.db2.gz OLVDUWFGWBATMD-HNNXBMFYSA-N 0 3 303.406 2.014 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](NC(=O)NC)C2)c1[O-] ZINC001138631297 796246774 /nfs/dbraw/zinc/24/67/74/796246774.db2.gz OLVDUWFGWBATMD-HNNXBMFYSA-N 0 3 303.406 2.014 20 30 DEEDHN C=C(C)COc1ccccc1CN1CCO[C@@H](CN(C)C)C1 ZINC001138661689 796254274 /nfs/dbraw/zinc/25/42/74/796254274.db2.gz FAXSRHZZVSLHOW-KRWDZBQOSA-N 0 3 304.434 2.404 20 30 DEEDHN C=CCOc1ccccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001139032939 796311844 /nfs/dbraw/zinc/31/18/44/796311844.db2.gz XCILVYDFOJCQIF-VQFNDLOPSA-N 0 3 314.429 2.454 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001185932653 796341034 /nfs/dbraw/zinc/34/10/34/796341034.db2.gz QEQMONLNUBVJPW-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCn1cc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cn1 ZINC001139770108 796425041 /nfs/dbraw/zinc/42/50/41/796425041.db2.gz CUFCVGYNWNBMTD-QGZVFWFLSA-N 0 3 316.449 2.294 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001186824756 796448903 /nfs/dbraw/zinc/44/89/03/796448903.db2.gz KLEWUOXOCBLMDX-MRXNPFEDSA-N 0 3 314.433 2.216 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C3CC3)s2)C1 ZINC001187077093 796485405 /nfs/dbraw/zinc/48/54/05/796485405.db2.gz NIKHTZUMFNHFAN-CQSZACIVSA-N 0 3 318.442 2.079 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C12CCC2 ZINC001203011870 796490268 /nfs/dbraw/zinc/49/02/68/796490268.db2.gz CARUOJTYPLRNHC-KBPBESRZSA-N 0 3 322.840 2.112 20 30 DEEDHN C=CCOC[C@H]1CCC[C@@]12CN(Cc1ccncc1O)CCO2 ZINC001140276213 796498875 /nfs/dbraw/zinc/49/88/75/796498875.db2.gz GXJZAHCDVMLEBP-SJLPKXTDSA-N 0 3 318.417 2.361 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001187233344 796503388 /nfs/dbraw/zinc/50/33/88/796503388.db2.gz QPNRUGFNLJGESU-ZWKOTPCHSA-N 0 3 314.429 2.178 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)nc2)C[C@@H]1c1ccccc1 ZINC001140547022 796538966 /nfs/dbraw/zinc/53/89/66/796538966.db2.gz FGSGTRYSKUXRSG-QZTJIDSGSA-N 0 3 321.380 2.342 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001187500411 796543437 /nfs/dbraw/zinc/54/34/37/796543437.db2.gz CMDPDIKEBPTENH-SJLPKXTDSA-N 0 3 314.429 2.021 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2csc3c2CCCC3)C1 ZINC001187664595 796560048 /nfs/dbraw/zinc/56/00/48/796560048.db2.gz UUCCUAUJRSVMKN-CYBMUJFWSA-N 0 3 302.443 2.454 20 30 DEEDHN CSc1nc(CN2CC(N3CCCCC3)C2)ccc1C#N ZINC001141941562 796699194 /nfs/dbraw/zinc/69/91/94/796699194.db2.gz OZYCZANEYVDRKT-UHFFFAOYSA-N 0 3 302.447 2.345 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001188839295 796722778 /nfs/dbraw/zinc/72/27/78/796722778.db2.gz MQCNTWRMLJJSGQ-DLBZAZTESA-N 0 3 306.450 2.468 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189298847 796799712 /nfs/dbraw/zinc/79/97/12/796799712.db2.gz ASEOJGMQRCKJPX-WMLDXEAASA-N 0 3 315.417 2.016 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCOCC(F)(F)F)C1 ZINC001189268383 796801998 /nfs/dbraw/zinc/80/19/98/796801998.db2.gz AJVIUAGKJMMNCO-GFCCVEGCSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCN(C)c3ccccc3)[C@@H]2C1 ZINC001189444784 796831666 /nfs/dbraw/zinc/83/16/66/796831666.db2.gz OLGIEYLHHRZXCD-FUHWJXTLSA-N 0 3 313.445 2.232 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCC(F)(F)F)C1 ZINC001189556151 796843869 /nfs/dbraw/zinc/84/38/69/796843869.db2.gz IPAAJOXYIRPLOL-LBPRGKRZSA-N 0 3 308.344 2.064 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001190106604 796932806 /nfs/dbraw/zinc/93/28/06/796932806.db2.gz WPNRMQZIMIFPQR-HOCLYGCPSA-N 0 3 320.458 2.128 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](C)c2ccco2)C1 ZINC001150318877 796935572 /nfs/dbraw/zinc/93/55/72/796935572.db2.gz VMUOZKOXKMREFT-CABCVRRESA-N 0 3 306.406 2.166 20 30 DEEDHN Cc1ccccc1CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001150541579 796952187 /nfs/dbraw/zinc/95/21/87/796952187.db2.gz DSFVDUGZCMLEIY-UHFFFAOYSA-N 0 3 307.397 2.315 20 30 DEEDHN Cc1cccc(OCC(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001150885397 796987486 /nfs/dbraw/zinc/98/74/86/796987486.db2.gz CHRJOAUYPUHKCY-UHFFFAOYSA-N 0 3 323.396 2.152 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)CCc2ccnn2C)C1 ZINC001190398550 796992336 /nfs/dbraw/zinc/99/23/36/796992336.db2.gz XHPGBMJYRNMARL-MRXNPFEDSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(C)CCOCC(F)F)C1 ZINC001190428063 797004740 /nfs/dbraw/zinc/00/47/40/797004740.db2.gz ALGDHBCXCBUIGB-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H](F)CC)CC1 ZINC001151247708 797027275 /nfs/dbraw/zinc/02/72/75/797027275.db2.gz CEKFGMRUUOTSMF-CQSZACIVSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC1(CCOC)CCN(CC(=C)C)CC1 ZINC001151415519 797041317 /nfs/dbraw/zinc/04/13/17/797041317.db2.gz WUKDFCBVJXQHJM-MRXNPFEDSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H](CC)CC(F)F)C1 ZINC001190613577 797041416 /nfs/dbraw/zinc/04/14/16/797041416.db2.gz PNWBUIGQRIYHQM-KBPBESRZSA-N 0 3 318.408 2.403 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)CCOC ZINC001151538644 797061477 /nfs/dbraw/zinc/06/14/77/797061477.db2.gz QRRHSISMPDEWOE-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN CCOCC(=O)NC[C@@H](C)N(CC)Cc1ccc(F)c(C#N)c1 ZINC001151675805 797081588 /nfs/dbraw/zinc/08/15/88/797081588.db2.gz NGFNTXIZIDMJQS-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001151847876 797106339 /nfs/dbraw/zinc/10/63/39/797106339.db2.gz BAQAEPITFVUKBS-HNNXBMFYSA-N 0 3 313.486 2.167 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)[C@@H](C)OC ZINC001152154067 797151290 /nfs/dbraw/zinc/15/12/90/797151290.db2.gz SEMZQSLPEUULJS-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCOCC(F)(F)F)C1 ZINC001191727577 797248141 /nfs/dbraw/zinc/24/81/41/797248141.db2.gz NJQUNIDFKWUHIK-GFCCVEGCSA-N 0 3 322.371 2.310 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)CCOC2CCC2)C1 ZINC001191858838 797268340 /nfs/dbraw/zinc/26/83/40/797268340.db2.gz CHHKIEZZVUMJGB-MRXNPFEDSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCO[C@@H]2CC2(F)F)C1 ZINC001192093541 797317028 /nfs/dbraw/zinc/31/70/28/797317028.db2.gz LLHJRGVFEZLTJT-ZIAGYGMSSA-N 0 3 316.392 2.300 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1coc(C(C)(C)C)n1 ZINC001153327690 797322679 /nfs/dbraw/zinc/32/26/79/797322679.db2.gz SCWINARPKYGKFJ-CYBMUJFWSA-N 0 3 305.422 2.436 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N(C)CCn2nc(C)cc2C)C1 ZINC001192094254 797325157 /nfs/dbraw/zinc/32/51/57/797325157.db2.gz QAVARJAQUWGAEA-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C2(CC=C)CCC2)C1 ZINC001192227717 797348167 /nfs/dbraw/zinc/34/81/67/797348167.db2.gz UEXQJVHZAHOGEV-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccccc1F ZINC001153548575 797351950 /nfs/dbraw/zinc/35/19/50/797351950.db2.gz HMOKHPLHWYAAPK-HUUCEWRRSA-N 0 3 320.408 2.443 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccn(C2CCCC2)n1 ZINC001153667369 797373642 /nfs/dbraw/zinc/37/36/42/797373642.db2.gz STQDVKGLGRRXAD-OAHLLOKOSA-N 0 3 316.449 2.462 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc2sccc2c1 ZINC001192469968 797389115 /nfs/dbraw/zinc/38/91/15/797389115.db2.gz KBGQXOVMNKHOGZ-LLVKDONJSA-N 0 3 303.343 2.478 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@H](C)C(=O)N[C@H](C)CC)CCCC1 ZINC001153809072 797400105 /nfs/dbraw/zinc/40/01/05/797400105.db2.gz AJWSVCFBCDHYPN-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC001192482121 797402508 /nfs/dbraw/zinc/40/25/08/797402508.db2.gz XGFOKPFNDRLEBS-GFCCVEGCSA-N 0 3 320.355 2.064 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC)C1 ZINC001192590304 797416805 /nfs/dbraw/zinc/41/68/05/797416805.db2.gz HLLVUWIVYZODKI-HZPDHXFCSA-N 0 3 320.433 2.363 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc2n1CCCCC2 ZINC001154000473 797441098 /nfs/dbraw/zinc/44/10/98/797441098.db2.gz DCSNCKARYKHHQR-OAHLLOKOSA-N 0 3 316.449 2.073 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC001154015243 797443240 /nfs/dbraw/zinc/44/32/40/797443240.db2.gz DRWYKWWSUHIQCI-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001154552894 797561287 /nfs/dbraw/zinc/56/12/87/797561287.db2.gz APGCPPLIHFJVTP-CYBMUJFWSA-N 0 3 313.401 2.250 20 30 DEEDHN C=C(Br)C[NH2+]CCCNC(=O)c1ccccc1[O-] ZINC001154760031 797605769 /nfs/dbraw/zinc/60/57/69/797605769.db2.gz WOLCUAQPSBZEBR-UHFFFAOYSA-N 0 3 313.195 2.010 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001193774631 797619147 /nfs/dbraw/zinc/61/91/47/797619147.db2.gz RKPSZDJJGRWKKG-HFBAOOFYSA-N 0 3 324.371 2.094 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001154921966 797640258 /nfs/dbraw/zinc/64/02/58/797640258.db2.gz TXTOADHJJSZSNN-CYBMUJFWSA-N 0 3 313.401 2.250 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1(C)CCCCC1 ZINC001155037695 797666292 /nfs/dbraw/zinc/66/62/92/797666292.db2.gz ZGAYAQZGLQOJJA-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CCCn2cccc2)C1 ZINC001194209315 797692873 /nfs/dbraw/zinc/69/28/73/797692873.db2.gz NUJDBTAWUNRIIK-KRWDZBQOSA-N 0 3 319.449 2.004 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(F)c(COC)c1 ZINC001155155140 797695850 /nfs/dbraw/zinc/69/58/50/797695850.db2.gz FOOHZYRWDCCUQJ-CYBMUJFWSA-N 0 3 306.381 2.046 20 30 DEEDHN Cc1cc(C#N)c(N[C@H]2CCCC[C@@]23CNCCO3)nc1C ZINC001155824255 797856675 /nfs/dbraw/zinc/85/66/75/797856675.db2.gz MYTOWRZIXPBDFV-DOTOQJQBSA-N 0 3 300.406 2.283 20 30 DEEDHN Cc1cc(CN)nn1-c1ccc([C@@H](C#N)c2ccc(C)cc2)nn1 ZINC001156038718 797910091 /nfs/dbraw/zinc/91/00/91/797910091.db2.gz WPOWZIHVSWNLLQ-INIZCTEOSA-N 0 3 318.384 2.393 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(=C)C)C1 ZINC001195531098 797921559 /nfs/dbraw/zinc/92/15/59/797921559.db2.gz BJDUHEKVSCANNV-BRWVUGGUSA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001195548967 797922627 /nfs/dbraw/zinc/92/26/27/797922627.db2.gz MJMFLYAFOMDDHY-USXIJHARSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001195581871 797925463 /nfs/dbraw/zinc/92/54/63/797925463.db2.gz WTYDLIPZOQKUAZ-HUUCEWRRSA-N 0 3 306.406 2.144 20 30 DEEDHN CO[C@@H](CN1CCCN(C(=O)C#CC(C)C)CC1)C1CCCC1 ZINC001195781605 797960388 /nfs/dbraw/zinc/96/03/88/797960388.db2.gz ZUCOEZXINNSYKL-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001195800814 797965146 /nfs/dbraw/zinc/96/51/46/797965146.db2.gz WYOFJMCLDTZGPA-HZPDHXFCSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN(CCC[C@H](C)O)CC1 ZINC001195957785 797990038 /nfs/dbraw/zinc/99/00/38/797990038.db2.gz HNBLLZOTRZSQPC-ZDUSSCGKSA-N 0 3 316.873 2.460 20 30 DEEDHN COCC(C)(C)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156462268 798005928 /nfs/dbraw/zinc/00/59/28/798005928.db2.gz BTLQJXCTQJEJBC-LLVKDONJSA-N 0 3 320.393 2.262 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001196138264 798010213 /nfs/dbraw/zinc/01/02/13/798010213.db2.gz LWQWCTCVKTXVGE-ARFHVFGLSA-N 0 3 320.433 2.291 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)C2=CCCC2)c(F)c1 ZINC001156527981 798022451 /nfs/dbraw/zinc/02/24/51/798022451.db2.gz UFLBLYCUTMYNLJ-UHFFFAOYSA-N 0 3 301.365 2.404 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001196446766 798054975 /nfs/dbraw/zinc/05/49/75/798054975.db2.gz VFDJVURIWFIMKF-CGTJXYLNSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cnc2ccccc2c1O ZINC001156668107 798057964 /nfs/dbraw/zinc/05/79/64/798057964.db2.gz LDZRZDGFHPMSHF-UHFFFAOYSA-N 0 3 313.401 2.108 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)OCCc1ccccc1 ZINC001156669726 798058088 /nfs/dbraw/zinc/05/80/88/798058088.db2.gz RYHCQCLZAXGGAQ-SJORKVTESA-N 0 3 316.445 2.094 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=S)NCc1ccc(F)cc1 ZINC001196509867 798066287 /nfs/dbraw/zinc/06/62/87/798066287.db2.gz HZIWYMFGPXROEH-HNNXBMFYSA-N 0 3 307.438 2.440 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001156767047 798079573 /nfs/dbraw/zinc/07/95/73/798079573.db2.gz LBCDNOOCWDZVPA-HZPDHXFCSA-N 0 3 302.418 2.222 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001196909954 798126594 /nfs/dbraw/zinc/12/65/94/798126594.db2.gz ICADGERLCGMRDA-KRWDZBQOSA-N 0 3 312.429 2.396 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(OC(C)C)cc1 ZINC001157052952 798134430 /nfs/dbraw/zinc/13/44/30/798134430.db2.gz IKHWFNXVESUZLV-MRXNPFEDSA-N 0 3 316.445 2.476 20 30 DEEDHN C=CCC1(C(=O)N2CCCN(CCC[C@@H](C)O)CC2)CCC1 ZINC001197076587 798144678 /nfs/dbraw/zinc/14/46/78/798144678.db2.gz ILIWASHPGOMDMC-MRXNPFEDSA-N 0 3 308.466 2.428 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001157109054 798145277 /nfs/dbraw/zinc/14/52/77/798145277.db2.gz HYNCZIQHGDNSRL-HUUCEWRRSA-N 0 3 315.889 2.440 20 30 DEEDHN CSc1nc(Cl)c(C#N)c(N2C[C@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157260928 798172306 /nfs/dbraw/zinc/17/23/06/798172306.db2.gz ODSYQLXAXXWJBY-MWLCHTKSSA-N 0 3 323.853 2.254 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001197751961 798234654 /nfs/dbraw/zinc/23/46/54/798234654.db2.gz GILQMRSKKBBNRW-RRFJBIMHSA-N 0 3 320.433 2.280 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC=C(C)C ZINC001157951133 798311821 /nfs/dbraw/zinc/31/18/21/798311821.db2.gz PVNBXOMCJQDNKR-IAGOWNOFSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001198380853 798325130 /nfs/dbraw/zinc/32/51/30/798325130.db2.gz XNIINFVQWGJWBE-KBAYOESNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCN[C@@H](CNC(=O)CCOC)c1ccccc1OC ZINC001198453630 798336421 /nfs/dbraw/zinc/33/64/21/798336421.db2.gz HWRZGLUEAVZUHX-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1csc([C@@H](C)OC)n1 ZINC001158099156 798342595 /nfs/dbraw/zinc/34/25/95/798342595.db2.gz 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ZINC001166974818 799994694 /nfs/dbraw/zinc/99/46/94/799994694.db2.gz NSBPSGAZNGMUBF-UHFFFAOYSA-N 0 3 303.381 2.294 20 30 DEEDHN CC(C)C[C@@H]1CN(C)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000933247335 800050081 /nfs/dbraw/zinc/05/00/81/800050081.db2.gz HJGQEGWMQXARCQ-QZTJIDSGSA-N 0 3 301.434 2.254 20 30 DEEDHN C#CCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000933300048 800063679 /nfs/dbraw/zinc/06/36/79/800063679.db2.gz PSLOHUMDJSKBNI-UHFFFAOYSA-N 0 3 301.346 2.377 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCC3)C2 ZINC001111069298 800284813 /nfs/dbraw/zinc/28/48/13/800284813.db2.gz NLUJBDZSYCWATM-FPCVCCKLSA-N 0 3 304.434 2.101 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2CCOCCC#N ZINC000934659448 800415797 /nfs/dbraw/zinc/41/57/97/800415797.db2.gz DSQXMUICZWMUMW-RHSMWYFYSA-N 0 3 323.437 2.296 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205954411 800449882 /nfs/dbraw/zinc/44/98/82/800449882.db2.gz FVWXTNFGBRVKBP-QWHCGFSZSA-N 0 3 322.478 2.325 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC001205981611 800453666 /nfs/dbraw/zinc/45/36/66/800453666.db2.gz WQGISZFDKFDYAN-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001206606482 800563679 /nfs/dbraw/zinc/56/36/79/800563679.db2.gz CQMHTFRDPCMRKZ-RHSMWYFYSA-N 0 3 320.408 2.295 20 30 DEEDHN O=C(c1ccccn1)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207063925 800672085 /nfs/dbraw/zinc/67/20/85/800672085.db2.gz RSPSYCGUYROCGT-SFHVURJKSA-N 0 3 319.408 2.328 20 30 DEEDHN CSCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001207212032 800710611 /nfs/dbraw/zinc/71/06/11/800710611.db2.gz DZUOXZHAGVNLNS-GFCCVEGCSA-N 0 3 323.487 2.453 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCOCCCC)C[C@H]2C)CCC1 ZINC001207510761 800769288 /nfs/dbraw/zinc/76/92/88/800769288.db2.gz UYHKXDMRWQHBMZ-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001207659730 800800848 /nfs/dbraw/zinc/80/08/48/800800848.db2.gz KIZAUDWJZFTRBL-OAGGEKHMSA-N 0 3 304.438 2.093 20 30 DEEDHN O=C(c1cc[nH]c1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001208110655 800914351 /nfs/dbraw/zinc/91/43/51/800914351.db2.gz OXIUARCCEKQMQN-GOSISDBHSA-N 0 3 307.397 2.261 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001208239425 800936426 /nfs/dbraw/zinc/93/64/26/800936426.db2.gz AMTIOZAOQBSLDU-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC(C)(C)C)C1 ZINC001208258140 800942021 /nfs/dbraw/zinc/94/20/21/800942021.db2.gz BFWHDTNQGZKEOF-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001208260429 800943105 /nfs/dbraw/zinc/94/31/05/800943105.db2.gz QGEDXZLKIFCDNK-ZIAGYGMSSA-N 0 3 320.437 2.138 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCC(=O)N[C@H](C)CCC)C1 ZINC001208262024 800944009 /nfs/dbraw/zinc/94/40/09/800944009.db2.gz WXYFZNMKGWVSMG-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208294950 800947881 /nfs/dbraw/zinc/94/78/81/800947881.db2.gz UADGUKCZMHOSAE-GDBMZVCRSA-N 0 3 318.465 2.001 20 30 DEEDHN N#Cc1cccc(CCCN2CCN(c3cncnc3)CC2)c1 ZINC001208850808 801078524 /nfs/dbraw/zinc/07/85/24/801078524.db2.gz JGKIQYAIEIAULN-UHFFFAOYSA-N 0 3 307.401 2.103 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001209145962 801135731 /nfs/dbraw/zinc/13/57/31/801135731.db2.gz JXFKYWVBBMYTLJ-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCN1CC[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C ZINC001209261759 801161253 /nfs/dbraw/zinc/16/12/53/801161253.db2.gz HYYFNINKHUHODC-GJZGRUSLSA-N 0 3 308.422 2.110 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCC(=O)NCCCC)C1 ZINC001209453633 801193493 /nfs/dbraw/zinc/19/34/93/801193493.db2.gz BKEZOOBYWRJSLF-QAPCUYQASA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)CCC1 ZINC001209505159 801202932 /nfs/dbraw/zinc/20/29/32/801202932.db2.gz ZLNPNQZEQGRQOL-OAHLLOKOSA-N 0 3 316.449 2.247 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001229016513 801208830 /nfs/dbraw/zinc/20/88/30/801208830.db2.gz JZEBGILNGPLSBD-GOSISDBHSA-N 0 3 318.465 2.146 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCC[C@H](NC[C@H](F)CC)C2)c1 ZINC001209561139 801218815 /nfs/dbraw/zinc/21/88/15/801218815.db2.gz JTGPFSWJYWRISL-CVEARBPZSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001209749242 801272996 /nfs/dbraw/zinc/27/29/96/801272996.db2.gz RXASWERLAASTCM-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)COC ZINC001229415379 801273346 /nfs/dbraw/zinc/27/33/46/801273346.db2.gz LISKDEIXBYUVFL-IACUBPJLSA-N 0 3 302.846 2.429 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCCC(C)C)C1 ZINC001209775257 801280697 /nfs/dbraw/zinc/28/06/97/801280697.db2.gz HWIVAPXGBBLTHV-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001230324061 801386565 /nfs/dbraw/zinc/38/65/65/801386565.db2.gz GCUCLEADSJUTOI-HUUCEWRRSA-N 0 3 323.462 2.253 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001210903980 801484316 /nfs/dbraw/zinc/48/43/16/801484316.db2.gz BICOUNKEEVFYAO-CKEIUWERSA-N 0 3 318.392 2.053 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H](F)CC)Cc1cccnc1 ZINC001230813737 801501285 /nfs/dbraw/zinc/50/12/85/801501285.db2.gz DVVUMPKPARKCQR-INIZCTEOSA-N 0 3 305.397 2.161 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)Cn1cc(C)cn1 ZINC001230989183 801547422 /nfs/dbraw/zinc/54/74/22/801547422.db2.gz PCKIEJWPUNBGBI-KRWDZBQOSA-N 0 3 318.465 2.471 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(CC#C)CCCCC2)C1 ZINC001211410942 801562493 /nfs/dbraw/zinc/56/24/93/801562493.db2.gz PUDZCOWHCCUPDK-IAGOWNOFSA-N 0 3 300.446 2.420 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc[nH]c2CCC)[C@H](OC)C1 ZINC001213312942 801595228 /nfs/dbraw/zinc/59/52/28/801595228.db2.gz XCOQTHRJXDSXGX-IAGOWNOFSA-N 0 3 319.449 2.362 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2coc(CCC)n2)[C@H](OC)C1 ZINC001213717796 801635582 /nfs/dbraw/zinc/63/55/82/801635582.db2.gz XRULLURNKNARMD-UKRRQHHQSA-N 0 3 321.421 2.022 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)c2ccco2)[C@H](OC)C1 ZINC001213736996 801638976 /nfs/dbraw/zinc/63/89/76/801638976.db2.gz HKISFSUVFKLFIH-IIAWOOMASA-N 0 3 306.406 2.165 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(C)nsc2C)[C@H](OC)C1 ZINC001213936708 801655964 /nfs/dbraw/zinc/65/59/64/801655964.db2.gz ZFXCXCLIDSFTDA-ZIAGYGMSSA-N 0 3 323.462 2.155 20 30 DEEDHN CN(C[C@@H]1CCN1CCCCCF)C(=O)c1cc(C#N)c[nH]1 ZINC001231407034 801658364 /nfs/dbraw/zinc/65/83/64/801658364.db2.gz FGVPNXNYPYNCTL-AWEZNQCLSA-N 0 3 306.385 2.172 20 30 DEEDHN C=CCCCCN(C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC001231836866 801734964 /nfs/dbraw/zinc/73/49/64/801734964.db2.gz QBOCZQOWQAQSLQ-UHFFFAOYSA-N 0 3 306.454 2.353 20 30 DEEDHN Cc1ncc(CN[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)s1 ZINC001214582001 801735686 /nfs/dbraw/zinc/73/56/86/801735686.db2.gz DMIVOIYKYFRCAJ-IUODEOHRSA-N 0 3 305.447 2.047 20 30 DEEDHN Cc1cc(CN[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2C)sn1 ZINC001214590827 801736973 /nfs/dbraw/zinc/73/69/73/801736973.db2.gz AJCPSZMIZWPPLG-IUODEOHRSA-N 0 3 319.474 2.438 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001214727807 801753427 /nfs/dbraw/zinc/75/34/27/801753427.db2.gz SSLOFRBNTCKSFU-MBNYWOFBSA-N 0 3 319.453 2.213 20 30 DEEDHN CCOC(=O)C1(C#N)CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232017386 801770530 /nfs/dbraw/zinc/77/05/30/801770530.db2.gz RBRNPKFBVBDLHZ-UHFFFAOYSA-N 0 3 312.373 2.232 20 30 DEEDHN CCOC(=O)C1(C#N)CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232017386 801770537 /nfs/dbraw/zinc/77/05/37/801770537.db2.gz RBRNPKFBVBDLHZ-UHFFFAOYSA-N 0 3 312.373 2.232 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)Cc3cccs3)[C@H]2C1 ZINC001217190977 802051304 /nfs/dbraw/zinc/05/13/04/802051304.db2.gz RVTGMGGZZGYOQP-JKSUJKDBSA-N 0 3 320.458 2.168 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001233267917 802058720 /nfs/dbraw/zinc/05/87/20/802058720.db2.gz MTXCLTDBHJVPJL-ZDUSSCGKSA-N 0 3 307.419 2.184 20 30 DEEDHN N#Cc1cc(F)cc(-c2noc(-c3ccc4c(n3)CCNC4)n2)c1 ZINC001217490894 802079795 /nfs/dbraw/zinc/07/97/95/802079795.db2.gz ADGJFNVEVQCFBU-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN N#Cc1ccc(-c2noc(-c3ccc4[nH]c(N)nc4c3)n2)nc1 ZINC001217663089 802095805 /nfs/dbraw/zinc/09/58/05/802095805.db2.gz DUVDSUNTHIHTES-UHFFFAOYSA-N 0 3 303.285 2.129 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C3CC(C)(C)C3)[C@H]2C1 ZINC001217771171 802112571 /nfs/dbraw/zinc/11/25/71/802112571.db2.gz ZBIWAQCQUGWDQN-JKSUJKDBSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001233939199 802247301 /nfs/dbraw/zinc/24/73/01/802247301.db2.gz ZCSHYFDTVAIYFB-WMLDXEAASA-N 0 3 322.474 2.150 20 30 DEEDHN CNc1ccc(C#N)cc1NC(=O)[C@@H](NC)[C@@H](C)OC(C)(C)C ZINC001218981776 802269353 /nfs/dbraw/zinc/26/93/53/802269353.db2.gz VFZZBRCCTABPFX-ABAIWWIYSA-N 0 3 318.421 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@@H](O)C1 ZINC001219659040 802362292 /nfs/dbraw/zinc/36/22/92/802362292.db2.gz WMIDXSOBCVQOAX-JJXSEGSLSA-N 0 3 308.466 2.186 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001234527119 802402725 /nfs/dbraw/zinc/40/27/25/802402725.db2.gz LWGJUQXFWRCQQW-RDJZCZTQSA-N 0 3 318.465 2.327 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@@H](O)C1 ZINC001220034618 802403804 /nfs/dbraw/zinc/40/38/04/802403804.db2.gz XALWMYLKVQPNEX-FJIDUMEYSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001220127763 802412058 /nfs/dbraw/zinc/41/20/58/802412058.db2.gz HSRJRIVTPPSXAV-KGLIPLIRSA-N 0 3 322.474 2.153 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)CC(=C)C)[C@@H](O)C1 ZINC001220200974 802424910 /nfs/dbraw/zinc/42/49/10/802424910.db2.gz BJDUHEKVSCANNV-ZACQAIPSSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccnc2[nH]cnc21 ZINC001234615322 802432643 /nfs/dbraw/zinc/43/26/43/802432643.db2.gz ZODIZQYJWBVODD-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2(CF)CCC2)[C@@H](O)C1 ZINC001220394814 802454526 /nfs/dbraw/zinc/45/45/26/802454526.db2.gz VFJKNRNFTNLTEZ-CABCVRRESA-N 0 3 314.445 2.258 20 30 DEEDHN C[C@H]1CCN[C@@H](C(=O)N=C(N)c2ccc3cc(O)ccc3c2)C1 ZINC001220633898 802481361 /nfs/dbraw/zinc/48/13/61/802481361.db2.gz CRKHHDJVQGLYKT-MEDUHNTESA-N 0 3 311.385 2.165 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H](O)C1 ZINC001220842373 802503200 /nfs/dbraw/zinc/50/32/00/802503200.db2.gz SQWPWYGBAFDWAY-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CN(CCCC)C[C@@H]1O)c1ccccc1 ZINC001221029663 802522251 /nfs/dbraw/zinc/52/22/51/802522251.db2.gz ZJKWGUBLUVONNF-KURKYZTESA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC(C)C)C[C@@H]2O)CCCCC1 ZINC001221042853 802523826 /nfs/dbraw/zinc/52/38/26/802523826.db2.gz WWUGPLKEYYIJCI-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001221173867 802534328 /nfs/dbraw/zinc/53/43/28/802534328.db2.gz BVKSZIYGQWKSQL-BMFZPTHFSA-N 0 3 320.408 2.264 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(CCC[C@@H](C)O)C[C@H]21 ZINC001221730583 802607580 /nfs/dbraw/zinc/60/75/80/802607580.db2.gz LVPWTINZWNHHOJ-BZUAXINKSA-N 0 3 308.466 2.282 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3ccc(OC)o3)[C@@H]2C1 ZINC001221888270 802624404 /nfs/dbraw/zinc/62/44/04/802624404.db2.gz ZFDFPJCAJKNWPR-ZIAGYGMSSA-N 0 3 304.390 2.401 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001222072924 802637959 /nfs/dbraw/zinc/63/79/59/802637959.db2.gz MZBRONKYYFXXFL-VXGBXAGGSA-N 0 3 321.248 2.477 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)[C@H](F)C(C)C)C[C@@H]21 ZINC001223277667 802777881 /nfs/dbraw/zinc/77/78/81/802777881.db2.gz LNXHCBADKJJXBL-OWCLPIDISA-N 0 3 312.429 2.106 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cc3ccccc3o2)CC1 ZINC001223994797 802828551 /nfs/dbraw/zinc/82/85/51/802828551.db2.gz QYOISVXEJXIOFV-UHFFFAOYSA-N 0 3 310.397 2.437 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001224318405 802858065 /nfs/dbraw/zinc/85/80/65/802858065.db2.gz IQXVWTDJJBHFNL-GFCCVEGCSA-N 0 3 304.356 2.426 20 30 DEEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1)C(F)F ZINC001224371745 802861522 /nfs/dbraw/zinc/86/15/22/802861522.db2.gz FEZOAMDNDOWXAL-HUUCEWRRSA-N 0 3 324.346 2.459 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2OCc3ccccc32)CC1 ZINC001225297761 802952319 /nfs/dbraw/zinc/95/23/19/802952319.db2.gz GTPFZKQTZQWLMG-GOSISDBHSA-N 0 3 312.413 2.109 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCc2ccc(C)o2)CC1 ZINC001225563362 802982699 /nfs/dbraw/zinc/98/26/99/802982699.db2.gz CSGNILQMXYQYRW-UHFFFAOYSA-N 0 3 302.418 2.372 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2ccc(C)s2)CC1 ZINC001225685836 803002111 /nfs/dbraw/zinc/00/21/11/803002111.db2.gz OVZPWBWDPLBAOW-UHFFFAOYSA-N 0 3 304.459 2.451 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C ZINC001225920744 803029453 /nfs/dbraw/zinc/02/94/53/803029453.db2.gz DWDASIULDNUXLJ-HZPDHXFCSA-N 0 3 303.406 2.304 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001225936874 803032172 /nfs/dbraw/zinc/03/21/72/803032172.db2.gz YIGDEONWCGXSKU-CHWSQXEVSA-N 0 3 310.829 2.112 20 30 DEEDHN Cc1nc(C)c(CN2CCC(NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001226617511 803132565 /nfs/dbraw/zinc/13/25/65/803132565.db2.gz IBFASZQYHQFINM-JTQLQIEISA-N 0 3 306.435 2.000 20 30 DEEDHN Cc1ccccc1OCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226641172 803135349 /nfs/dbraw/zinc/13/53/49/803135349.db2.gz WOZXQCWJRCAFRF-OAHLLOKOSA-N 0 3 315.417 2.114 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001228113107 803320852 /nfs/dbraw/zinc/32/08/52/803320852.db2.gz RMLNLVMWQFNGNW-ARFHVFGLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)C ZINC001228113864 803321344 /nfs/dbraw/zinc/32/13/44/803321344.db2.gz YXGIPGNBNMNUFX-ARFHVFGLSA-N 0 3 323.481 2.130 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(C)C ZINC001228739275 803404563 /nfs/dbraw/zinc/40/45/63/803404563.db2.gz SKRFMRAQEZYZHB-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCC(=O)NC1CCN(CCn2nc(C)cc2C)CC1 ZINC001228927909 803432500 /nfs/dbraw/zinc/43/25/00/803432500.db2.gz OQLUYUDWQSVIKC-UHFFFAOYSA-N 0 3 318.465 2.437 20 30 DEEDHN CCCc1nc(C)c(CN[C@H](C)CCNC(=O)[C@H](C)C#N)o1 ZINC001418394686 1167624553 /nfs/dbraw/zinc/62/45/53/1167624553.db2.gz KPUYADXFIDXVHO-VXGBXAGGSA-N 0 3 306.410 2.080 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccccc2O[C@@H](C)C(=O)OC)C1 ZINC001334984622 1150363436 /nfs/dbraw/zinc/36/34/36/1150363436.db2.gz MPFOJPRSLOAJLS-HOCLYGCPSA-N 0 3 319.401 2.404 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCCn2cccn2)C(C)(C)C1 ZINC001328097077 1148718883 /nfs/dbraw/zinc/71/88/83/1148718883.db2.gz CNWXCJQNSGKOGY-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)c3ccsc3)CC2)C1 ZINC001328114886 1148723385 /nfs/dbraw/zinc/72/33/85/1148723385.db2.gz SPUJGYUOSAMQLJ-UHFFFAOYSA-N 0 3 319.474 2.156 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)NC/C=C\Cl ZINC001331584327 1149544726 /nfs/dbraw/zinc/54/47/26/1149544726.db2.gz KPNYJIYQCXBCIN-BFZYYEKOSA-N 0 3 300.830 2.157 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001331602515 1149551775 /nfs/dbraw/zinc/55/17/75/1149551775.db2.gz YUMGGXQRFBDTNA-AWEZNQCLSA-N 0 3 310.401 2.150 20 30 DEEDHN C#CCOCCN(C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001336052792 1150607880 /nfs/dbraw/zinc/60/78/80/1150607880.db2.gz ZRJXKXWQRGCOTH-UHFFFAOYSA-N 0 3 301.342 2.301 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001574963475 1069310473 /nfs/dbraw/zinc/31/04/73/1069310473.db2.gz VDHMGNLSBCJYRE-XJKSGUPXSA-N 0 3 319.836 2.118 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC001574972242 1069315421 /nfs/dbraw/zinc/31/54/21/1069315421.db2.gz LFJIEUPTYCJYOT-LLVKDONJSA-N 0 3 316.735 2.298 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CC1(C)COC1)c1ccccc1 ZINC001345886132 1150923223 /nfs/dbraw/zinc/92/32/23/1150923223.db2.gz CPCDKYWGALLJHR-HUUCEWRRSA-N 0 3 314.385 2.389 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001331870651 1149737845 /nfs/dbraw/zinc/73/78/45/1149737845.db2.gz SFTHXSKLZGKWCU-GHMZBOCLSA-N 0 3 307.221 2.087 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC001502875459 1060362791 /nfs/dbraw/zinc/36/27/91/1060362791.db2.gz PGBKFXMADTURFS-ZDUSSCGKSA-N 0 3 316.873 2.364 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC001346429769 1150985495 /nfs/dbraw/zinc/98/54/95/1150985495.db2.gz DRYAENZDOLDGOO-GFCCVEGCSA-N 0 3 315.295 2.223 20 30 DEEDHN C=C1CCC(C(=O)NCCCN(CC#CCOC)C2CC2)CC1 ZINC001479876403 1151024409 /nfs/dbraw/zinc/02/44/09/1151024409.db2.gz QOZMTCFFQCJFNJ-UHFFFAOYSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCCCC(=O)NCC[C@H](C)NCC(=C)Br ZINC001328331230 1148775613 /nfs/dbraw/zinc/77/56/13/1148775613.db2.gz FKZZITXPQLCTRK-LBPRGKRZSA-N 0 3 301.228 2.183 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CNCc2cn[nH]n2)C(C)(C)C)CC1 ZINC001575063057 1069350524 /nfs/dbraw/zinc/35/05/24/1069350524.db2.gz ZTPMTLKJSFKDDM-OAHLLOKOSA-N 0 3 319.453 2.172 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CNCc2c[nH]nn2)C(C)(C)C)CC1 ZINC001575063057 1069350534 /nfs/dbraw/zinc/35/05/34/1069350534.db2.gz ZTPMTLKJSFKDDM-OAHLLOKOSA-N 0 3 319.453 2.172 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575104492 1069367350 /nfs/dbraw/zinc/36/73/50/1069367350.db2.gz RCYGUYOZLKVUCG-INIZCTEOSA-N 0 3 319.453 2.016 20 30 DEEDHN C=CC(C)(C)CC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001602786839 1069754915 /nfs/dbraw/zinc/75/49/15/1069754915.db2.gz MGXUBCKDUTWPJK-UHFFFAOYSA-N 0 3 311.393 2.206 20 30 DEEDHN C=CC(C)(C)CC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001602786839 1069754924 /nfs/dbraw/zinc/75/49/24/1069754924.db2.gz MGXUBCKDUTWPJK-UHFFFAOYSA-N 0 3 311.393 2.206 20 30 DEEDHN C=CCCCC[C@H](C)[NH2+]CCNc1ncccc1-c1nnn[n-]1 ZINC001602833883 1069769723 /nfs/dbraw/zinc/76/97/23/1069769723.db2.gz BWODEWGPXCYJTN-ZDUSSCGKSA-N 0 3 315.425 2.398 20 30 DEEDHN C=CCCCC[C@H](C)[NH2+]CCNc1ncccc1-c1nn[n-]n1 ZINC001602833883 1069769736 /nfs/dbraw/zinc/76/97/36/1069769736.db2.gz BWODEWGPXCYJTN-ZDUSSCGKSA-N 0 3 315.425 2.398 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001368515123 1148472791 /nfs/dbraw/zinc/47/27/91/1148472791.db2.gz LDXFEVSMGYDHJF-CZUORRHYSA-N 0 3 303.381 2.456 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CCCC[C@H]1CNCCF ZINC001328662771 1148821611 /nfs/dbraw/zinc/82/16/11/1148821611.db2.gz XVVKAADDZUIHFU-KRWDZBQOSA-N 0 3 302.393 2.151 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCOC ZINC001328682690 1148824026 /nfs/dbraw/zinc/82/40/26/1148824026.db2.gz DBWZPZHCTZWNCP-SJLPKXTDSA-N 0 3 302.418 2.361 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c(C2CC2)cnn1C ZINC001328734205 1148829562 /nfs/dbraw/zinc/82/95/62/1148829562.db2.gz VYEZQMSFUMMYKE-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN(CC)C(=O)CN1CCC[C@H]1C ZINC001528853620 1070775000 /nfs/dbraw/zinc/77/50/00/1070775000.db2.gz ZBFHADKDNFMFME-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001528903322 1070785500 /nfs/dbraw/zinc/78/55/00/1070785500.db2.gz HVUIWQTZUWLRJI-KRWDZBQOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)COCCc1ccccc1 ZINC001328795778 1148835755 /nfs/dbraw/zinc/83/57/55/1148835755.db2.gz DSXVWKNDVPCQNN-SFHVURJKSA-N 0 3 316.445 2.355 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H]1CN(C)C[C@@H]1CCCCO1 ZINC001328797505 1148836462 /nfs/dbraw/zinc/83/64/62/1148836462.db2.gz OLTOBNQVQNWSBL-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN CCC#C[C@@H](C)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC001459316153 1058146311 /nfs/dbraw/zinc/14/63/11/1058146311.db2.gz UVHLXIHMBZMGDB-MRXNPFEDSA-N 0 3 308.466 2.432 20 30 DEEDHN COc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)ccc1O ZINC001459462222 1058163603 /nfs/dbraw/zinc/16/36/03/1058163603.db2.gz FVSZDWMOBJSHPZ-QGZVFWFLSA-N 0 3 312.369 2.438 20 30 DEEDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)c2cccc(C#N)c2)C[C@@H]1O ZINC001459884566 1058227629 /nfs/dbraw/zinc/22/76/29/1058227629.db2.gz WBHNPABBSKWQNJ-ZACQAIPSSA-N 0 3 302.418 2.321 20 30 DEEDHN CC(C)C#CC(=O)NC1(C)CCN(CCOCC(C)C)CC1 ZINC001499982376 1058416201 /nfs/dbraw/zinc/41/62/01/1058416201.db2.gz VFFJJNYEPZVMJV-UHFFFAOYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001499995563 1058421226 /nfs/dbraw/zinc/42/12/26/1058421226.db2.gz OZUTULFWECACTO-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CC=CCC1)C1CCN(CCOC)CC1 ZINC001500043299 1058449373 /nfs/dbraw/zinc/44/93/73/1058449373.db2.gz JUUTUBFYERZTEB-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001500293357 1058669091 /nfs/dbraw/zinc/66/90/91/1058669091.db2.gz UMJIIKYBJOCBKX-FZKQIMNGSA-N 0 3 318.465 2.362 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@](C)(CN[C@@H](C)c2cnccn2)C1 ZINC001500345242 1058711117 /nfs/dbraw/zinc/71/11/17/1058711117.db2.gz CZOZARCMKHWSDQ-MAUKXSAKSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCCN(CCOC)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC001462459920 1058830189 /nfs/dbraw/zinc/83/01/89/1058830189.db2.gz PVKBOSIPGGNYGY-HNNXBMFYSA-N 0 3 319.401 2.099 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cccc(CC)n2)C1 ZINC001500502328 1058862157 /nfs/dbraw/zinc/86/21/57/1058862157.db2.gz SBLYKTGRBNFLJT-LJQANCHMSA-N 0 3 313.445 2.499 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001500614218 1058962526 /nfs/dbraw/zinc/96/25/26/1058962526.db2.gz SWKDBBBXCLTPFR-CYBMUJFWSA-N 0 3 318.408 2.045 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@@H](CCC)c2ccccc2)C1 ZINC001500759017 1059067936 /nfs/dbraw/zinc/06/79/36/1059067936.db2.gz OTOIMEIERPMHDP-PKOBYXMFSA-N 0 3 316.445 2.309 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC(F)(F)C(F)F ZINC001501400123 1059493153 /nfs/dbraw/zinc/49/31/53/1059493153.db2.gz OZRTYQJGAZATQV-VXGBXAGGSA-N 0 3 320.330 2.366 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(Cn2cccn2)o1 ZINC001467727875 1059691103 /nfs/dbraw/zinc/69/11/03/1059691103.db2.gz UOKVMHODQJIJIP-UHFFFAOYSA-N 0 3 316.405 2.104 20 30 DEEDHN O=C(c1ccon1)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001501863270 1059750251 /nfs/dbraw/zinc/75/02/51/1059750251.db2.gz JBTJUWHYQAGCAR-QGZVFWFLSA-N 0 3 323.396 2.311 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccc(OCC)cc2)CCC1 ZINC001502022657 1059878867 /nfs/dbraw/zinc/87/88/67/1059878867.db2.gz PKEJFUGIXXZRQH-UHFFFAOYSA-N 0 3 300.402 2.351 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H](CNCc2cccnc2C)C1 ZINC001502056005 1059903504 /nfs/dbraw/zinc/90/35/04/1059903504.db2.gz OSYAJLBUUNKAIC-KRWDZBQOSA-N 0 3 317.433 2.063 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001502143135 1059991956 /nfs/dbraw/zinc/99/19/56/1059991956.db2.gz NSSOEFRKVXTTSW-KZNAEPCWSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC(C)(C)COC)C2 ZINC001502543006 1060171457 /nfs/dbraw/zinc/17/14/57/1060171457.db2.gz ATQPZAUMLQNKSZ-LJQANCHMSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC001502570329 1060182700 /nfs/dbraw/zinc/18/27/00/1060182700.db2.gz HYWJIWJYFZDAHJ-GOSISDBHSA-N 0 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C=CCCC(=O)NC[C@]1(C)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001537186470 1072296656 /nfs/dbraw/zinc/29/66/56/1072296656.db2.gz WMJKIJGVHONILX-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)C[C@H]2CCCOC2)CC1 ZINC001508081890 1063541865 /nfs/dbraw/zinc/54/18/65/1063541865.db2.gz BHENQKHIVVKFAO-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H](F)Cc2ccccc2)CC1 ZINC001508082768 1063543117 /nfs/dbraw/zinc/54/31/17/1063543117.db2.gz KIBYNMZYSKAMHK-MAUKXSAKSA-N 0 3 316.420 2.417 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001493117413 1063582262 /nfs/dbraw/zinc/58/22/62/1063582262.db2.gz NXAVEXVXBNVVKV-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001493219239 1063646204 /nfs/dbraw/zinc/64/62/04/1063646204.db2.gz JBXDMJDZGXIHMS-CQSZACIVSA-N 0 3 306.356 2.238 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC001493267329 1063679928 /nfs/dbraw/zinc/67/99/28/1063679928.db2.gz 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C#CCN1CCC(C)(CNC(=O)[C@H](OC)c2ccccc2)CC1 ZINC001569707216 1065681393 /nfs/dbraw/zinc/68/13/93/1065681393.db2.gz PNCGGGGFPYTSFD-QGZVFWFLSA-N 0 3 314.429 2.226 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(C)CCOCC2)C1 ZINC001569721842 1065689313 /nfs/dbraw/zinc/68/93/13/1065689313.db2.gz CJZDDBDPPGZIFM-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001569724242 1065691121 /nfs/dbraw/zinc/69/11/21/1065691121.db2.gz SFOVRVKRJCUPOK-ROUUACIJSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001569763085 1065711214 /nfs/dbraw/zinc/71/12/14/1065711214.db2.gz YOXZFYIXTNEODP-GOSISDBHSA-N 0 3 302.418 2.163 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)CCCc2ccc(C)s2)C1 ZINC001569766615 1065712935 /nfs/dbraw/zinc/71/29/35/1065712935.db2.gz QXMDKWHTJBZEOC-KRWDZBQOSA-N 0 3 322.474 2.118 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001496844962 1065751316 /nfs/dbraw/zinc/75/13/16/1065751316.db2.gz 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CCCCCCN1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001570481217 1066089094 /nfs/dbraw/zinc/08/90/94/1066089094.db2.gz PWJQARXCEDFQSN-INIZCTEOSA-N 0 3 321.465 2.420 20 30 DEEDHN C=CCOCCCC(=O)N1CCC2(CC1)CN(CCC)CCO2 ZINC001570481489 1066089491 /nfs/dbraw/zinc/08/94/91/1066089491.db2.gz ZQUARHSXKXYHRY-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001570497815 1066095300 /nfs/dbraw/zinc/09/53/00/1066095300.db2.gz UMROYTBSDWRYGV-NVXWUHKLSA-N 0 3 308.466 2.188 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001570497814 1066095613 /nfs/dbraw/zinc/09/56/13/1066095613.db2.gz UMROYTBSDWRYGV-DOTOQJQBSA-N 0 3 308.466 2.188 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(COC)CC1 ZINC001570520562 1066103256 /nfs/dbraw/zinc/10/32/56/1066103256.db2.gz IAACNUZRJYNNTA-IAGOWNOFSA-N 0 3 314.429 2.361 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1cccnc1 ZINC001497776197 1066303208 /nfs/dbraw/zinc/30/32/08/1066303208.db2.gz LEQAPBFMTQTLBV-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN CC(C)[C@H]1N(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC12CC=CC2 ZINC001575519302 1066327941 /nfs/dbraw/zinc/32/79/41/1066327941.db2.gz BBZNLRWVDPCGCG-YJTLQXIOSA-N 0 3 313.445 2.329 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)o1 ZINC001498008146 1066455136 /nfs/dbraw/zinc/45/51/36/1066455136.db2.gz NKDMQINNEXGHSQ-JTQLQIEISA-N 0 3 303.387 2.429 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC1(F)F ZINC001498274759 1066609373 /nfs/dbraw/zinc/60/93/73/1066609373.db2.gz XJNUYSBLDHCIIK-RISCZKNCSA-N 0 3 307.344 2.150 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)CN(C)Cc1ccc(F)cc1C ZINC001498281127 1066612768 /nfs/dbraw/zinc/61/27/68/1066612768.db2.gz OOTBGUFRJWLFAO-OAHLLOKOSA-N 0 3 320.408 2.111 20 30 DEEDHN Cc1nc(CNCCCN(C)C(=O)C#CC(C)C)sc1C ZINC001498542043 1066771577 /nfs/dbraw/zinc/77/15/77/1066771577.db2.gz RQGPHDCVJFUCKI-UHFFFAOYSA-N 0 3 307.463 2.357 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(CC)nnc1C ZINC001498586705 1066787928 /nfs/dbraw/zinc/78/79/28/1066787928.db2.gz UNCAJMJLQOJOKL-UHFFFAOYSA-N 0 3 310.829 2.152 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1cn2cc(C)sc2n1 ZINC001499012880 1067023916 /nfs/dbraw/zinc/02/39/16/1067023916.db2.gz NEBFWINGMCEKAC-CQSZACIVSA-N 0 3 318.446 2.013 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001499468752 1067230020 /nfs/dbraw/zinc/23/00/20/1067230020.db2.gz CGRRRDJECBNKPY-INIZCTEOSA-N 0 3 320.477 2.481 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1c(C)noc1C(F)(F)F ZINC001483392376 1078502126 /nfs/dbraw/zinc/50/21/26/1078502126.db2.gz WRWDYIZWJURCSU-QMMMGPOBSA-N 0 3 305.300 2.238 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001267025511 1078511289 /nfs/dbraw/zinc/51/12/89/1078511289.db2.gz BLDPTWJQFWTJEB-AEFFLSMTSA-N 0 3 314.429 2.021 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001267112371 1078589767 /nfs/dbraw/zinc/58/97/67/1078589767.db2.gz RCPLRVUHTWILCP-MRXNPFEDSA-N 0 3 316.449 2.312 20 30 DEEDHN CC(C)OCC(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001483549513 1078591784 /nfs/dbraw/zinc/59/17/84/1078591784.db2.gz MRKNZUFQEBZTCO-HNNXBMFYSA-N 0 3 321.446 2.029 20 30 DEEDHN CC1(C(=O)N[C@H](CNCc2ccc(C#N)c(F)c2)C2CC2)CC1 ZINC001483564945 1078600734 /nfs/dbraw/zinc/60/07/34/1078600734.db2.gz SYFOWNPMLHKRHS-MRXNPFEDSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001570544941 1067997678 /nfs/dbraw/zinc/99/76/78/1067997678.db2.gz HVOICMMHTGPDCJ-BBRMVZONSA-N 0 3 318.465 2.314 20 30 DEEDHN C#CCCCC(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC001570560010 1068005630 /nfs/dbraw/zinc/00/56/30/1068005630.db2.gz JAAVQLZKDFTTEM-UHFFFAOYSA-N 0 3 309.413 2.346 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2snnc2C)C1 ZINC001570562918 1068007282 /nfs/dbraw/zinc/00/72/82/1068007282.db2.gz ZVXNWPDCNHEPII-UHFFFAOYSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001570752247 1068108870 /nfs/dbraw/zinc/10/88/70/1068108870.db2.gz VYBLXNJHUWNKEQ-CABCVRRESA-N 0 3 304.434 2.496 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2C=CC=CC=C2)C(C)(C)C1 ZINC001570897392 1068153892 /nfs/dbraw/zinc/15/38/92/1068153892.db2.gz QCVWAHDVWWYKDX-KRWDZBQOSA-N 0 3 316.445 2.314 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CCc3ccccc3F)[C@@H]2C1 ZINC001570961058 1068166378 /nfs/dbraw/zinc/16/63/78/1068166378.db2.gz FLTDCPUVUAUVDB-OSYLJGHBSA-N 0 3 314.404 2.076 20 30 DEEDHN CCCC(=O)N1CCO[C@@H]([C@H](C)NCC#Cc2ccccc2)C1 ZINC001570965592 1068167171 /nfs/dbraw/zinc/16/71/71/1068167171.db2.gz OESIQOAIWIVYJI-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCOCCN1CCCC2(CN(C(=O)c3ccsc3)C2)C1 ZINC001571029205 1068175639 /nfs/dbraw/zinc/17/56/39/1068175639.db2.gz WOLVFBCCGJGSJQ-UHFFFAOYSA-N 0 3 320.458 2.489 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H]1C ZINC001511167927 1068224556 /nfs/dbraw/zinc/22/45/56/1068224556.db2.gz DGXACHJLAIHVHQ-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(N(C)CC(=O)NC(C)C)CC1 ZINC001571333983 1068229573 /nfs/dbraw/zinc/22/95/73/1068229573.db2.gz ICYVEBCLZNPEAP-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCNC(=O)CN(C)C1CCN(C(=O)C(C)(CC)CC)CC1 ZINC001571336265 1068230518 /nfs/dbraw/zinc/23/05/18/1068230518.db2.gz OTJPRFNABRPMCI-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001511274059 1068261234 /nfs/dbraw/zinc/26/12/34/1068261234.db2.gz IRDHSIONXOPKAZ-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)C(=O)N1CC[C@@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001571450352 1068297303 /nfs/dbraw/zinc/29/73/03/1068297303.db2.gz CCWLWNVJTKBGFN-WMLDXEAASA-N 0 3 302.393 2.412 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001267245561 1078694630 /nfs/dbraw/zinc/69/46/30/1078694630.db2.gz JBRURXGFFDICRE-MRXNPFEDSA-N 0 3 301.434 2.137 20 30 DEEDHN CCOCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001571472503 1068324313 /nfs/dbraw/zinc/32/43/13/1068324313.db2.gz FDXHGFWNFVEESV-OLZOCXBDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2cnc(C)s2)C[C@H]1C ZINC001571492776 1068348643 /nfs/dbraw/zinc/34/86/43/1068348643.db2.gz IUWBOJFHSQLRJR-OCCSQVGLSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(CCc2cnn(C)c2)[C@@H]1C ZINC001571519699 1068383491 /nfs/dbraw/zinc/38/34/91/1068383491.db2.gz WCLPHQPREGDTIP-WBVHZDCISA-N 0 3 318.465 2.288 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)CCCc2nc(CC)no2)[C@H]1C ZINC001571524781 1068397353 /nfs/dbraw/zinc/39/73/53/1068397353.db2.gz KGEYOAUTUYKSNG-KGLIPLIRSA-N 0 3 320.437 2.110 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC001571558259 1068419131 /nfs/dbraw/zinc/41/91/31/1068419131.db2.gz FYEDTMDTKLHLSD-TZMCWYRMSA-N 0 3 319.453 2.357 20 30 DEEDHN COCC#CCN1CCC([C@H](C)NC(=O)c2ccoc2C)CC1 ZINC001571646932 1068457002 /nfs/dbraw/zinc/45/70/02/1068457002.db2.gz NBDIEHSREFGNRZ-AWEZNQCLSA-N 0 3 318.417 2.068 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001571644644 1068457258 /nfs/dbraw/zinc/45/72/58/1068457258.db2.gz ZPESBNNJUOTIIM-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001267276116 1078724185 /nfs/dbraw/zinc/72/41/85/1078724185.db2.gz KFMYMIUYXKWBAI-IRXDYDNUSA-N 0 3 318.461 2.330 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC001267293962 1078741154 /nfs/dbraw/zinc/74/11/54/1078741154.db2.gz AQHJPLDWLZUUHD-CQSZACIVSA-N 0 3 316.832 2.443 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001267297218 1078745147 /nfs/dbraw/zinc/74/51/47/1078745147.db2.gz DYJQAAWFAWXDHH-KRWDZBQOSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001267304802 1078750832 /nfs/dbraw/zinc/75/08/32/1078750832.db2.gz MTQLZDZYYXSVIN-JXFKEZNVSA-N 0 3 310.441 2.352 20 30 DEEDHN COc1cccc(CN2CC([C@H](C)NC(=O)[C@H](C)C#N)C2)c1C ZINC001409863858 1078754463 /nfs/dbraw/zinc/75/44/63/1078754463.db2.gz ZBLKGFGGTVVSFY-OCCSQVGLSA-N 0 3 315.417 2.100 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001267316390 1078759066 /nfs/dbraw/zinc/75/90/66/1078759066.db2.gz NUIYQZAQEZNWBG-UHFFFAOYSA-N 0 3 324.428 2.337 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ocnc1C(F)(F)F ZINC001267316404 1078759172 /nfs/dbraw/zinc/75/91/72/1078759172.db2.gz OKRGPQYEJXWUJW-UHFFFAOYSA-N 0 3 317.311 2.159 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001572297098 1068722167 /nfs/dbraw/zinc/72/21/67/1068722167.db2.gz FNEYWTTURXWJMN-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CC[C@H]2CCCO2)CCC1 ZINC001483677001 1078776511 /nfs/dbraw/zinc/77/65/11/1078776511.db2.gz HLTCLBUWUKLWLC-JKSUJKDBSA-N 0 3 306.450 2.492 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC001642918096 1078777417 /nfs/dbraw/zinc/77/74/17/1078777417.db2.gz WMRFUSVGNGANRI-QGZVFWFLSA-N 0 3 315.417 2.212 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001572406882 1068757066 /nfs/dbraw/zinc/75/70/66/1068757066.db2.gz PSBONZUCYYQFPF-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001267357341 1078788911 /nfs/dbraw/zinc/78/89/11/1078788911.db2.gz MQGLAJZXWSRWCM-AEFFLSMTSA-N 0 3 314.429 2.438 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001267357342 1078789441 /nfs/dbraw/zinc/78/94/41/1078789441.db2.gz MQGLAJZXWSRWCM-FUHWJXTLSA-N 0 3 314.429 2.438 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cn(C)nc1CC)c1ccccc1 ZINC001267362608 1078794891 /nfs/dbraw/zinc/79/48/91/1078794891.db2.gz SWRRDTHMQINPRQ-KRWDZBQOSA-N 0 3 312.417 2.229 20 30 DEEDHN C#CCCCCC(=O)N(C)CCNCc1ccc(Cl)nc1 ZINC001267365307 1078795916 /nfs/dbraw/zinc/79/59/16/1078795916.db2.gz UEOIABRGTJYXHQ-UHFFFAOYSA-N 0 3 307.825 2.477 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001272308554 1078797714 /nfs/dbraw/zinc/79/77/14/1078797714.db2.gz BTLMNDGWUQDDHW-KBPBESRZSA-N 0 3 319.453 2.090 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001572642663 1068860299 /nfs/dbraw/zinc/86/02/99/1068860299.db2.gz KJXYTJLDGKEPLC-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC(C)(C)C[C@@H]2C)c1 ZINC001643442732 1078799539 /nfs/dbraw/zinc/79/95/39/1078799539.db2.gz BJFIRCVZQSVMJZ-ZDUSSCGKSA-N 0 3 313.401 2.436 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)C(=O)[C@H]1CCCN1C ZINC001572673199 1068876498 /nfs/dbraw/zinc/87/64/98/1068876498.db2.gz RYVCAVAWWTVRKS-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCNCc2ccc(C#N)s2)cc1 ZINC001267412226 1078834214 /nfs/dbraw/zinc/83/42/14/1078834214.db2.gz UQGGNXVRBBVHOD-UHFFFAOYSA-N 0 3 323.421 2.463 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCCC23CCC3)c1 ZINC001644613294 1078852444 /nfs/dbraw/zinc/85/24/44/1078852444.db2.gz SKRHHYAMFAXVQK-UHFFFAOYSA-N 0 3 311.385 2.335 20 30 DEEDHN C=CCCC(=O)N(CCC)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001267451027 1078856829 /nfs/dbraw/zinc/85/68/29/1078856829.db2.gz UMQFDSPYUABXSR-QGZVFWFLSA-N 0 3 318.465 2.242 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCn2cccn2)C1 ZINC001267449676 1078859668 /nfs/dbraw/zinc/85/96/68/1078859668.db2.gz DFIKPZFGRVAXJK-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C)N1CCc2ccccc21 ZINC001521446749 1069243370 /nfs/dbraw/zinc/24/33/70/1069243370.db2.gz SEQLOQJNERDAQF-GOEBONIOSA-N 0 3 301.434 2.237 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC001574852068 1069276900 /nfs/dbraw/zinc/27/69/00/1069276900.db2.gz OKWUOBDNRXRUSN-HNNXBMFYSA-N 0 3 322.836 2.009 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001574856790 1069279208 /nfs/dbraw/zinc/27/92/08/1069279208.db2.gz GUOJTULRSVBWRI-ZDUSSCGKSA-N 0 3 308.813 2.480 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCN1c2ccccc2CC[C@H]1C ZINC001574857130 1069279582 /nfs/dbraw/zinc/27/95/82/1069279582.db2.gz MBPAYRSJLAEKCE-UKRRQHHQSA-N 0 3 321.852 2.414 20 30 DEEDHN C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCNC2 ZINC001574899957 1069291504 /nfs/dbraw/zinc/29/15/04/1069291504.db2.gz MTLUFPTVOIBTID-UHFFFAOYSA-N 0 3 308.403 2.475 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC001574901194 1069291960 /nfs/dbraw/zinc/29/19/60/1069291960.db2.gz BOXYOULZLFVYKW-HOTGVXAUSA-N 0 3 306.406 2.471 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC001574908419 1069294783 /nfs/dbraw/zinc/29/47/83/1069294783.db2.gz NDCQVMOEROLDFV-UONOGXRCSA-N 0 3 304.390 2.016 20 30 DEEDHN CC[C@H](SC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483727587 1078888360 /nfs/dbraw/zinc/88/83/60/1078888360.db2.gz VGBHGSGKXMJMQY-HNNXBMFYSA-N 0 3 317.458 2.438 20 30 DEEDHN C=CCCN(C)CCNC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001480949085 1078889190 /nfs/dbraw/zinc/88/91/90/1078889190.db2.gz CTLVGIGPSSYMPH-UHFFFAOYSA-N 0 3 308.362 2.172 20 30 DEEDHN N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2CCC(F)(F)F ZINC001272503192 1078933168 /nfs/dbraw/zinc/93/31/68/1078933168.db2.gz YLMNJDBKNUTYHV-VXGBXAGGSA-N 0 3 303.328 2.308 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC001267519637 1078948436 /nfs/dbraw/zinc/94/84/36/1078948436.db2.gz GAMWXQRQTDGUNH-KRWDZBQOSA-N 0 3 323.396 2.032 20 30 DEEDHN C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001267537140 1078967890 /nfs/dbraw/zinc/96/78/90/1078967890.db2.gz GCZKCNRXAJEAEZ-HNNXBMFYSA-N 0 3 300.402 2.342 20 30 DEEDHN C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001267537140 1078967897 /nfs/dbraw/zinc/96/78/97/1078967897.db2.gz GCZKCNRXAJEAEZ-HNNXBMFYSA-N 0 3 300.402 2.342 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cccc3ncccc23)CC1 ZINC001483751876 1079017095 /nfs/dbraw/zinc/01/70/95/1079017095.db2.gz PNDSPRUCUSBCDT-UHFFFAOYSA-N 0 3 307.397 2.039 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625061 1079019512 /nfs/dbraw/zinc/01/95/12/1079019512.db2.gz GIECMKDDFBKIPD-SFHVURJKSA-N 0 3 316.401 2.154 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272625061 1079019520 /nfs/dbraw/zinc/01/95/20/1079019520.db2.gz GIECMKDDFBKIPD-SFHVURJKSA-N 0 3 316.401 2.154 20 30 DEEDHN C=CCN(CC)CCNC(=O)c1cccc(C(F)(F)F)n1 ZINC001481007979 1079055656 /nfs/dbraw/zinc/05/56/56/1079055656.db2.gz DQVSPBKCCIJOTC-UHFFFAOYSA-N 0 3 301.312 2.338 20 30 DEEDHN C=CCN(CC)CCNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001481011077 1079059389 /nfs/dbraw/zinc/05/93/89/1079059389.db2.gz QBXIJDSLPKNAQH-UHFFFAOYSA-N 0 3 306.454 2.247 20 30 DEEDHN COCC#CC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001329313651 1148883673 /nfs/dbraw/zinc/88/36/73/1148883673.db2.gz YTWIOLGWFZFQIP-GOSISDBHSA-N 0 3 316.445 2.254 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)c2ccc(F)cc2F)CC1 ZINC001483791903 1079124075 /nfs/dbraw/zinc/12/40/75/1079124075.db2.gz ALFKMWHYIJCUDL-GFCCVEGCSA-N 0 3 306.356 2.330 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001481104235 1079187079 /nfs/dbraw/zinc/18/70/79/1079187079.db2.gz ULSKCXWMKBFWOH-AWEZNQCLSA-N 0 3 320.383 2.277 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1c(C)onc1CC ZINC001483927893 1079203227 /nfs/dbraw/zinc/20/32/27/1079203227.db2.gz RJSVSCOVURNBNP-HNNXBMFYSA-N 0 3 317.433 2.430 20 30 DEEDHN C#CCN(C(=O)CCCC(C)=O)C1CCN(CC2CC2)CC1 ZINC001483978900 1079222624 /nfs/dbraw/zinc/22/26/24/1079222624.db2.gz KCMCVQVZJRWHBZ-UHFFFAOYSA-N 0 3 304.434 2.082 20 30 DEEDHN CCO[C@H](CN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 ZINC001267614334 1079221771 /nfs/dbraw/zinc/22/17/71/1079221771.db2.gz GSGMAYNAQVYRJL-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccn(C)n2)C[C@H]1C ZINC001671246249 1079227308 /nfs/dbraw/zinc/22/73/08/1079227308.db2.gz RKOYFJMJKMBLOC-CVEARBPZSA-N 0 3 316.449 2.083 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)OCCC=C)C2 ZINC001484019331 1079245873 /nfs/dbraw/zinc/24/58/73/1079245873.db2.gz ANZGLLZCMKVLEO-PKOBYXMFSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(C(=O)OCC)c1ccccc1 ZINC001646173588 1074359390 /nfs/dbraw/zinc/35/93/90/1074359390.db2.gz WLQCMRRZIVNECD-CZUORRHYSA-N 0 3 324.808 2.051 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC001267619027 1079277364 /nfs/dbraw/zinc/27/73/64/1079277364.db2.gz WXVCWYGIOOYHIH-KRWDZBQOSA-N 0 3 319.493 2.219 20 30 DEEDHN Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001646678172 1074545727 /nfs/dbraw/zinc/54/57/27/1074545727.db2.gz ZSXDXDKSESYGRK-KBPBESRZSA-N 0 3 316.453 2.000 20 30 DEEDHN CCn1c([C@H](C)CCC#N)nnc1N1CCN(CC(C)C)CC1 ZINC001646717644 1074573483 /nfs/dbraw/zinc/57/34/83/1074573483.db2.gz WLUBRFGBRAJAJZ-OAHLLOKOSA-N 0 3 318.469 2.483 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COc2ccc(F)c(F)c2)C1 ZINC001484073416 1079288497 /nfs/dbraw/zinc/28/84/97/1079288497.db2.gz LINOKUKTMZFPOV-INIZCTEOSA-N 0 3 310.344 2.110 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1n[nH]c2c1CCCC2)C1CC1 ZINC001481177681 1079295568 /nfs/dbraw/zinc/29/55/68/1079295568.db2.gz FQQOLXDBWMDYPJ-UHFFFAOYSA-N 0 3 302.422 2.059 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cn2c(n1)CC[C@@H](C)C2)C1CC1 ZINC001481174774 1079290555 /nfs/dbraw/zinc/29/05/55/1079290555.db2.gz XVZIAYBPOQFQMK-CQSZACIVSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC001481173753 1079290866 /nfs/dbraw/zinc/29/08/66/1079290866.db2.gz IUHPTBWWTUEABX-MRXNPFEDSA-N 0 3 313.445 2.280 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cccc2ncn(C)c21)C1CC1 ZINC001481175173 1079293301 /nfs/dbraw/zinc/29/33/01/1079293301.db2.gz FKGGCBIGFZIZGX-UHFFFAOYSA-N 0 3 312.417 2.344 20 30 DEEDHN CCc1nc(C)c(CNC[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001484084232 1079294207 /nfs/dbraw/zinc/29/42/07/1079294207.db2.gz WDBJQICGUCTZPO-YVEFUNNKSA-N 0 3 318.421 2.033 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001267623528 1079294850 /nfs/dbraw/zinc/29/48/50/1079294850.db2.gz CPNNEZTZQXMPNG-HNNXBMFYSA-N 0 3 319.453 2.064 20 30 DEEDHN C=CCCC(=O)N1CC[C@](C)(CN[C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001484082942 1079297959 /nfs/dbraw/zinc/29/79/59/1079297959.db2.gz LXGYJYCGHBIKGH-SUMWQHHRSA-N 0 3 319.453 2.223 20 30 DEEDHN C=C(C)CN(CCNC(=O)Cc1c(C)noc1Cl)C1CC1 ZINC001481190690 1079313691 /nfs/dbraw/zinc/31/36/91/1079313691.db2.gz UKAJXLFFMHRZHU-UHFFFAOYSA-N 0 3 311.813 2.336 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccncc2Cl)CC1 ZINC001484143895 1079321928 /nfs/dbraw/zinc/32/19/28/1079321928.db2.gz ZVQWGHSLCWIBDW-UHFFFAOYSA-N 0 3 305.809 2.200 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@H](C)Oc1ccccn1)C1CC1 ZINC001481194546 1079323268 /nfs/dbraw/zinc/32/32/68/1079323268.db2.gz LBYVATPCBWWHEC-AWEZNQCLSA-N 0 3 303.406 2.006 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC001484142080 1079325551 /nfs/dbraw/zinc/32/55/51/1079325551.db2.gz LILZSKFXFSTIKX-KRWDZBQOSA-N 0 3 314.404 2.317 20 30 DEEDHN CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001647709166 1074975895 /nfs/dbraw/zinc/97/58/95/1074975895.db2.gz JVEZIGARTOMZKI-RHSMWYFYSA-N 0 3 316.453 2.237 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cccnc1Cl ZINC001559796597 1075129030 /nfs/dbraw/zinc/12/90/30/1075129030.db2.gz PGFMVAYHKUFFNQ-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=CCN(CCOc1cccc(C(=O)OC)c1)[C@@H](C)COC ZINC001559993283 1075130893 /nfs/dbraw/zinc/13/08/93/1075130893.db2.gz UJKWMJOHHZJMBH-AWEZNQCLSA-N 0 3 307.390 2.375 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2sccc2Cl)C1 ZINC001484220605 1079362866 /nfs/dbraw/zinc/36/28/66/1079362866.db2.gz YJZZJONPHBXLGT-AWEZNQCLSA-N 0 3 314.838 2.144 20 30 DEEDHN C=C(C)CS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001562010479 1075157534 /nfs/dbraw/zinc/15/75/34/1075157534.db2.gz HDQNGWWIQFVVHD-LSDHHAIUSA-N 0 3 300.468 2.087 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001565849438 1075196724 /nfs/dbraw/zinc/19/67/24/1075196724.db2.gz FPJHBRGQJSPOCK-OAGGEKHMSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1OCC ZINC001565944375 1075209403 /nfs/dbraw/zinc/20/94/03/1075209403.db2.gz AMMBMXFEIGWKQC-ZIAGYGMSSA-N 0 3 300.830 2.158 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCOCC(C)C)C(C)(C)[C@H]21 ZINC001565992317 1075213989 /nfs/dbraw/zinc/21/39/89/1075213989.db2.gz GTAGSJVGORCNGU-NXHRZFHOSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CCOCC(C)C)C(C)(C)[C@H]21 ZINC001565992315 1075214220 /nfs/dbraw/zinc/21/42/20/1075214220.db2.gz GTAGSJVGORCNGU-NJAFHUGGSA-N 0 3 320.477 2.288 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)OCCCCCC)C[C@@H]2C1 ZINC001566044785 1075221226 /nfs/dbraw/zinc/22/12/26/1075221226.db2.gz NYTJMIYVMLTDHR-KURKYZTESA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001566062393 1075222895 /nfs/dbraw/zinc/22/28/95/1075222895.db2.gz BHLFXIVUSCNVNC-UHFFFAOYSA-N 0 3 316.445 2.464 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(CCCc2nc(C)no2)[C@@H]1C ZINC001566101678 1075229695 /nfs/dbraw/zinc/22/96/95/1075229695.db2.gz RQZVBZMYELYEDU-HIFRSBDPSA-N 0 3 320.437 2.246 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnn(C(C)(C)C)c1C ZINC001566458718 1075249868 /nfs/dbraw/zinc/24/98/68/1075249868.db2.gz IMDTYMFEELSPHG-UHFFFAOYSA-N 0 3 304.438 2.022 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)[C@@H](C)c1ccccc1F ZINC001566500923 1075263504 /nfs/dbraw/zinc/26/35/04/1075263504.db2.gz RGTLRXVULIYFGT-HNNXBMFYSA-N 0 3 320.408 2.017 20 30 DEEDHN CCc1sc(C(=O)NCCCN(C)CC#CCOC)cc1C ZINC001566513704 1075266550 /nfs/dbraw/zinc/26/65/50/1075266550.db2.gz LCQFQOLZAFHXBH-UHFFFAOYSA-N 0 3 322.474 2.320 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccccn1 ZINC001566524542 1075269385 /nfs/dbraw/zinc/26/93/85/1075269385.db2.gz DEHHHQPVVNIGFO-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCCc2ccc(F)cc2)C1 ZINC001267693695 1079381990 /nfs/dbraw/zinc/38/19/90/1079381990.db2.gz NTIQUWUBMQNSQF-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C#Cc1cncc(C(=O)NCCCN(CC)Cc2ccccn2)c1 ZINC001566565586 1075283873 /nfs/dbraw/zinc/28/38/73/1075283873.db2.gz WKCSYYSSTBXTFH-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCN(Cc1ccc(Cl)nc1)C1CC1 ZINC001566583284 1075288940 /nfs/dbraw/zinc/28/89/40/1075288940.db2.gz AKHXECYMJZNHHY-LBPRGKRZSA-N 0 3 320.824 2.365 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CCC[C@@H](F)C1)C1CC1 ZINC001566587915 1075290177 /nfs/dbraw/zinc/29/01/77/1075290177.db2.gz XUDCOWDSJMOJDM-HZPDHXFCSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001566679602 1075315751 /nfs/dbraw/zinc/31/57/51/1075315751.db2.gz ZHBCLICEKFIFHN-WBVHZDCISA-N 0 3 302.418 2.183 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2oc(C)nc2C)C1 ZINC001566801679 1075348808 /nfs/dbraw/zinc/34/88/08/1075348808.db2.gz ZEULCBFSVYGBOJ-SHTZXODSSA-N 0 3 303.406 2.222 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)(C)COC)C1 ZINC001566827910 1075354968 /nfs/dbraw/zinc/35/49/68/1075354968.db2.gz VQLYRHGMMSBRPO-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1ncccc1CN1CCC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001566868237 1075367685 /nfs/dbraw/zinc/36/76/85/1075367685.db2.gz IBIPWMKAUJAMEJ-KRWDZBQOSA-N 0 3 313.445 2.378 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)CCc2nc(C)cs2)C1 ZINC001566875389 1075370299 /nfs/dbraw/zinc/37/02/99/1075370299.db2.gz UGIXTLYTIOHYOL-HNNXBMFYSA-N 0 3 319.474 2.236 20 30 DEEDHN C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001566961257 1075400565 /nfs/dbraw/zinc/40/05/65/1075400565.db2.gz UGTQEVUBDCKIGM-QAPCUYQASA-N 0 3 311.429 2.212 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2c(F)cccc2F)C1 ZINC001566966620 1075403185 /nfs/dbraw/zinc/40/31/85/1075403185.db2.gz XQEQXGDNOHVYAS-UONOGXRCSA-N 0 3 320.383 2.357 20 30 DEEDHN N#Cc1ccc(Cl)cc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001650081548 1079401247 /nfs/dbraw/zinc/40/12/47/1079401247.db2.gz BFDLDNGXDAUIEC-HUUCEWRRSA-N 0 3 305.809 2.247 20 30 DEEDHN C#CCCCCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001567010455 1075415060 /nfs/dbraw/zinc/41/50/60/1075415060.db2.gz UBTRHYCZMBCOGY-ZDUSSCGKSA-N 0 3 303.431 2.408 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H](C)NCc1cnccc1C ZINC001567074508 1075427140 /nfs/dbraw/zinc/42/71/40/1075427140.db2.gz QXRCMZAYVQMYKJ-INIZCTEOSA-N 0 3 321.424 2.208 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2ccn(CC)c2C)C1 ZINC001567196561 1075460804 /nfs/dbraw/zinc/46/08/04/1075460804.db2.gz NCQKCCGSWIYQKB-INIZCTEOSA-N 0 3 301.434 2.376 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001267723687 1079411350 /nfs/dbraw/zinc/41/13/50/1079411350.db2.gz GTOXPJHUGGUNTL-WMZOPIPTSA-N 0 3 314.429 2.032 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001267762601 1079465542 /nfs/dbraw/zinc/46/55/42/1079465542.db2.gz HUTHIXNGFMFQTG-OAHLLOKOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267780655 1079492326 /nfs/dbraw/zinc/49/23/26/1079492326.db2.gz SCOVUQPOPFKZAO-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001267794421 1079499911 /nfs/dbraw/zinc/49/99/11/1079499911.db2.gz OMQLPAOWVCFFCT-CQSZACIVSA-N 0 3 312.417 2.214 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2nc(C)sc2C)C1 ZINC001267788152 1079495628 /nfs/dbraw/zinc/49/56/28/1079495628.db2.gz RCMDKTPOWZPRLZ-HNNXBMFYSA-N 0 3 319.474 2.249 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001582792109 1076184610 /nfs/dbraw/zinc/18/46/10/1076184610.db2.gz LWOZIGFYBFIURC-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC[C@H](CC)[NH2+]CCNc1ncccc1-c1nnn[n-]1 ZINC001588577912 1076454935 /nfs/dbraw/zinc/45/49/35/1076454935.db2.gz QWIWNBKKRJTXMC-LBPRGKRZSA-N 0 3 301.398 2.008 20 30 DEEDHN C=CCC[C@H](CC)[NH2+]CCNc1ncccc1-c1nn[n-]n1 ZINC001588577912 1076454942 /nfs/dbraw/zinc/45/49/42/1076454942.db2.gz QWIWNBKKRJTXMC-LBPRGKRZSA-N 0 3 301.398 2.008 20 30 DEEDHN CC(C)[N@H+](CCO[C@H](C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588934080 1076470385 /nfs/dbraw/zinc/47/03/85/1076470385.db2.gz DGOZBRVPLAJHNX-CYBMUJFWSA-N 0 3 314.393 2.006 20 30 DEEDHN CC(C)[N@@H+](CCO[C@H](C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588934080 1076470388 /nfs/dbraw/zinc/47/03/88/1076470388.db2.gz DGOZBRVPLAJHNX-CYBMUJFWSA-N 0 3 314.393 2.006 20 30 DEEDHN CC(C)[N@H+](CCO[C@H](C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588934080 1076470391 /nfs/dbraw/zinc/47/03/91/1076470391.db2.gz DGOZBRVPLAJHNX-CYBMUJFWSA-N 0 3 314.393 2.006 20 30 DEEDHN CC(C)[N@@H+](CCO[C@H](C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588934080 1076470392 /nfs/dbraw/zinc/47/03/92/1076470392.db2.gz DGOZBRVPLAJHNX-CYBMUJFWSA-N 0 3 314.393 2.006 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609050895 1077748423 /nfs/dbraw/zinc/74/84/23/1077748423.db2.gz HDONUUGOACSIRD-GOEBONIOSA-N 0 3 313.405 2.246 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609050895 1077748429 /nfs/dbraw/zinc/74/84/29/1077748429.db2.gz HDONUUGOACSIRD-GOEBONIOSA-N 0 3 313.405 2.246 20 30 DEEDHN C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053283 1077749591 /nfs/dbraw/zinc/74/95/91/1077749591.db2.gz FHVGUJZSXVEIAV-HOCLYGCPSA-N 0 3 313.405 2.161 20 30 DEEDHN C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053283 1077749595 /nfs/dbraw/zinc/74/95/95/1077749595.db2.gz FHVGUJZSXVEIAV-HOCLYGCPSA-N 0 3 313.405 2.161 20 30 DEEDHN CC[C@H](CNC(=O)C#CC1CC1)NCc1cnn(C(C)(C)C)c1 ZINC001267802774 1079505149 /nfs/dbraw/zinc/50/51/49/1079505149.db2.gz DJUVMXQRCRVYPO-MRXNPFEDSA-N 0 3 316.449 2.036 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(CNCc2cccc(Cl)n2)CCCC1 ZINC001267834229 1079524990 /nfs/dbraw/zinc/52/49/90/1079524990.db2.gz SWVUFMMYYYPRQG-GFCCVEGCSA-N 0 3 320.824 2.413 20 30 DEEDHN C[C@@](CNCc1cncc(F)c1)(NC(=O)C#CC1CC1)C1CC1 ZINC001267853041 1079541765 /nfs/dbraw/zinc/54/17/65/1079541765.db2.gz HSUASFRYOFRTBQ-SFHVURJKSA-N 0 3 315.392 2.009 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](NCc2ccn(CC)n2)CC1 ZINC001267923890 1079605466 /nfs/dbraw/zinc/60/54/66/1079605466.db2.gz BCGRNJSXGBIBLX-WKILWMFISA-N 0 3 316.449 2.224 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(C)c1 ZINC001484459514 1079619455 /nfs/dbraw/zinc/61/94/55/1079619455.db2.gz WHFZYZQPEXLHDC-IRXDYDNUSA-N 0 3 318.417 2.470 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](OC)[C@H](C)CC)cc1 ZINC001267938448 1079619521 /nfs/dbraw/zinc/61/95/21/1079619521.db2.gz WSRCFSQBAFPACU-QAPCUYQASA-N 0 3 316.445 2.477 20 30 DEEDHN C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CN(C)C(C)C ZINC001484467926 1079623518 /nfs/dbraw/zinc/62/35/18/1079623518.db2.gz SUJZCPONGVQVBX-HUUCEWRRSA-N 0 3 313.873 2.144 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001484615784 1079687959 /nfs/dbraw/zinc/68/79/59/1079687959.db2.gz NKYBNOADGPTEHZ-XRZYUTHKSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C(C)(C)C)on2)CCC1 ZINC001484642498 1079701758 /nfs/dbraw/zinc/70/17/58/1079701758.db2.gz RXGFATMXCRZKES-UHFFFAOYSA-N 0 3 303.406 2.238 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@]1(C)CCCOC1)c1ccccc1 ZINC001481371876 1079763637 /nfs/dbraw/zinc/76/36/37/1079763637.db2.gz BEEPZQGXPXDQGT-PKOBYXMFSA-N 0 3 314.429 2.274 20 30 DEEDHN CO[C@@H](C)C(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001484734902 1079768828 /nfs/dbraw/zinc/76/88/28/1079768828.db2.gz QFAJTRMLJKPJHV-ZDUSSCGKSA-N 0 3 321.396 2.013 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001481385492 1079771339 /nfs/dbraw/zinc/77/13/39/1079771339.db2.gz WSGSBAZBMHQFBK-TWMKSMIVSA-N 0 3 324.440 2.393 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1c(C)noc1C(F)(F)F ZINC001484761854 1079774651 /nfs/dbraw/zinc/77/46/51/1079774651.db2.gz ZXKTUAXVOIIKQS-UHFFFAOYSA-N 0 3 317.311 2.029 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CC2(F)F)C1 ZINC001481396861 1079782549 /nfs/dbraw/zinc/78/25/49/1079782549.db2.gz MMNSMGWBMQWLDP-ZIAGYGMSSA-N 0 3 316.392 2.157 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](OCC)C(C)C)C2 ZINC001484827459 1079809920 /nfs/dbraw/zinc/80/99/20/1079809920.db2.gz NWDFFMRZKPWRHB-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2scnc2C)[C@@H](C)C1 ZINC001484968767 1079886796 /nfs/dbraw/zinc/88/67/96/1079886796.db2.gz SBZCBOUUPSFZEM-JSGCOSHPSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C#CC(C)C ZINC001484991720 1079908866 /nfs/dbraw/zinc/90/88/66/1079908866.db2.gz MDTLLUDPFBROFJ-LBPRGKRZSA-N 0 3 301.228 2.039 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC001485046434 1079936797 /nfs/dbraw/zinc/93/67/97/1079936797.db2.gz DYLXLYQNJFBTHP-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnn(CCC)c1C ZINC001485072780 1079958830 /nfs/dbraw/zinc/95/88/30/1079958830.db2.gz IBUPZULZYNZESH-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN CCCCOCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001485131696 1079990515 /nfs/dbraw/zinc/99/05/15/1079990515.db2.gz IBUIPAZBGDHVPV-IRXDYDNUSA-N 0 3 316.445 2.338 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C1=CCCC1 ZINC001485134155 1079993348 /nfs/dbraw/zinc/99/33/48/1079993348.db2.gz CLXKBTFBXMDNDK-GJZGRUSLSA-N 0 3 321.465 2.004 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cccn1C ZINC001485123661 1080001810 /nfs/dbraw/zinc/00/18/10/1080001810.db2.gz GKDQKEVPTQXVEG-CVEARBPZSA-N 0 3 309.413 2.173 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1cnc(C)nc1 ZINC001485151000 1080016349 /nfs/dbraw/zinc/01/63/49/1080016349.db2.gz AVYJZTCVXTYKDG-OLZOCXBDSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001481535223 1080021714 /nfs/dbraw/zinc/02/17/14/1080021714.db2.gz SEJYBHFVOPCUIJ-KRWDZBQOSA-N 0 3 302.418 2.068 20 30 DEEDHN C=C1CCC(C(=O)N(C)[C@@H](C)CNCc2cnn(C)c2)CC1 ZINC001268082955 1080037243 /nfs/dbraw/zinc/03/72/43/1080037243.db2.gz HGYQHUWDPCMQJE-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001268085519 1080040751 /nfs/dbraw/zinc/04/07/51/1080040751.db2.gz MWJWZANAZYZEBF-STQMWFEESA-N 0 3 321.469 2.467 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2cccnc2OC)C1 ZINC001656150534 1080055275 /nfs/dbraw/zinc/05/52/75/1080055275.db2.gz MREAQMOGLHVUMA-OTVXOJSOSA-N 0 3 317.433 2.287 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2ncccc2C)nc1 ZINC001268094950 1080067074 /nfs/dbraw/zinc/06/70/74/1080067074.db2.gz QIRWLULTOLHMQT-HNNXBMFYSA-N 0 3 322.412 2.017 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccc(F)cc2C)C1 ZINC001656784703 1080124978 /nfs/dbraw/zinc/12/49/78/1080124978.db2.gz VZFWFBFOTNPRRW-MRXNPFEDSA-N 0 3 320.408 2.219 20 30 DEEDHN C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1c(C)nc[n-]c1=O ZINC001268160469 1080138331 /nfs/dbraw/zinc/13/83/31/1080138331.db2.gz SVEBEXMVNCFVCJ-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCNC(=O)CNCC1(NC(=O)/C=C(\C)CC)CCCCC1 ZINC001485450409 1080214445 /nfs/dbraw/zinc/21/44/45/1080214445.db2.gz AQZPOCMSEZNPHQ-NTCAYCPXSA-N 0 3 321.465 2.054 20 30 DEEDHN C#CCCCC(=O)N(C)CCN(C)Cc1cccc(N(C)C)c1 ZINC001268235875 1080217318 /nfs/dbraw/zinc/21/73/18/1080217318.db2.gz QBERXTZZLRGNHF-UHFFFAOYSA-N 0 3 315.461 2.446 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN(C)Cc1cc(C)cc(C)c1 ZINC001268238060 1080220648 /nfs/dbraw/zinc/22/06/48/1080220648.db2.gz VDNIMSRAVIUENR-KRWDZBQOSA-N 0 3 316.445 2.232 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)c1ccsc1 ZINC001485460542 1080229989 /nfs/dbraw/zinc/22/99/89/1080229989.db2.gz QYQZEUWRTNPYBX-OAHLLOKOSA-N 0 3 308.447 2.276 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1nccn1C ZINC001268286969 1080268071 /nfs/dbraw/zinc/26/80/71/1080268071.db2.gz NJRSXFYXEXYMEE-CABCVRRESA-N 0 3 304.438 2.151 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001481672406 1080283710 /nfs/dbraw/zinc/28/37/10/1080283710.db2.gz QIZDSNLQLPLGPP-JENIJYKNSA-N 0 3 318.461 2.489 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1 ZINC001481680767 1080289216 /nfs/dbraw/zinc/28/92/16/1080289216.db2.gz NDGUNEVGGSVRGI-HOTGVXAUSA-N 0 3 300.402 2.317 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC001485535217 1080289451 /nfs/dbraw/zinc/28/94/51/1080289451.db2.gz LXQMLNKIEMAYGU-HZPDHXFCSA-N 0 3 314.429 2.222 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccc(C)nc2)C(C)(C)C1 ZINC001485558069 1080296904 /nfs/dbraw/zinc/29/69/04/1080296904.db2.gz BEKUYIFRIWRPEL-MRXNPFEDSA-N 0 3 317.433 2.033 20 30 DEEDHN C=CCN1C[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C(C)(C)C1 ZINC001485568570 1080300946 /nfs/dbraw/zinc/30/09/46/1080300946.db2.gz CUIHIPOLHQFUQW-GJZGRUSLSA-N 0 3 318.465 2.409 20 30 DEEDHN CC1(C)CN(CC2CC(F)(F)C2)C[C@H]1NC(=O)C#CC1CC1 ZINC001485570556 1080302885 /nfs/dbraw/zinc/30/28/85/1080302885.db2.gz RXMOUVFFPVSYHX-CQSZACIVSA-N 0 3 310.388 2.272 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)Cc1ccccc1F ZINC001660303719 1080306782 /nfs/dbraw/zinc/30/67/82/1080306782.db2.gz CENLLKYUNSJCDK-HNNXBMFYSA-N 0 3 304.409 2.466 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H](OC)C2CCCC2)C(C)(C)C1 ZINC001485580401 1080311624 /nfs/dbraw/zinc/31/16/24/1080311624.db2.gz HYNSARZJTHCPCX-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001481702102 1080321630 /nfs/dbraw/zinc/32/16/30/1080321630.db2.gz CJNVMNPPZDETMW-FUHWJXTLSA-N 0 3 314.429 2.032 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001660404867 1080327123 /nfs/dbraw/zinc/32/71/23/1080327123.db2.gz NYWSFXNTDYOKQI-UHFFFAOYSA-N 0 3 320.408 2.144 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)c3ccccc3F)[C@@H]2C1 ZINC001485619559 1080328201 /nfs/dbraw/zinc/32/82/01/1080328201.db2.gz JWIOASMSSZNPBP-QSPRXWTASA-N 0 3 314.404 2.247 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cncn1C ZINC001660439819 1080332318 /nfs/dbraw/zinc/33/23/18/1080332318.db2.gz LAYWJWDASUWOJN-NVXWUHKLSA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCC(=C)C ZINC001660440381 1080333144 /nfs/dbraw/zinc/33/31/44/1080333144.db2.gz OPNSYFAEYWBBFC-HOTGVXAUSA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001485696728 1080381075 /nfs/dbraw/zinc/38/10/75/1080381075.db2.gz PBFLWMBYMYLOIN-IHRRRGAJSA-N 0 3 323.824 2.086 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001660818191 1080401571 /nfs/dbraw/zinc/40/15/71/1080401571.db2.gz CGQWIHZAWCLXRA-MJGOQNOKSA-N 0 3 316.445 2.403 20 30 DEEDHN COC[C@@H](C)N1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001660859276 1080408912 /nfs/dbraw/zinc/40/89/12/1080408912.db2.gz IITKDDCIAMRVHV-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCCCCC(=O)N1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC001485757305 1080410519 /nfs/dbraw/zinc/41/05/19/1080410519.db2.gz XWRRQRYJDZMVLS-UHFFFAOYSA-N 0 3 316.449 2.037 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C2CCCCC2)CC1 ZINC001660868926 1080410871 /nfs/dbraw/zinc/41/08/71/1080410871.db2.gz OIXRQXFEDFXMOG-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001660892425 1080412775 /nfs/dbraw/zinc/41/27/75/1080412775.db2.gz NLUMMNOYCIJKQK-SFHVURJKSA-N 0 3 305.466 2.043 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2cc(C)n(C)n2)CCC1 ZINC001268396800 1080421648 /nfs/dbraw/zinc/42/16/48/1080421648.db2.gz LQIMSTGESVEBOL-AWEZNQCLSA-N 0 3 318.465 2.459 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001661034387 1080431487 /nfs/dbraw/zinc/43/14/87/1080431487.db2.gz DXDBCDLQVHCHFK-ZWKOTPCHSA-N 0 3 315.461 2.446 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001661045991 1080432833 /nfs/dbraw/zinc/43/28/33/1080432833.db2.gz WLRHJDOEDROCDG-IAGOWNOFSA-N 0 3 301.434 2.056 20 30 DEEDHN Cc1ccncc1CN1CCC2(C[C@@H]2NC(=O)C#CC2CC2)CC1 ZINC001661063148 1080436533 /nfs/dbraw/zinc/43/65/33/1080436533.db2.gz GYWLZWDOGOAKIU-SFHVURJKSA-N 0 3 323.440 2.274 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)CCCC(C)C)CC1 ZINC001661072681 1080438592 /nfs/dbraw/zinc/43/85/92/1080438592.db2.gz BZRZLGFWEHGLFV-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)COc2cc(C)ccc2C)C1 ZINC001481752017 1080439300 /nfs/dbraw/zinc/43/93/00/1080439300.db2.gz UDCDVYHYYUUGJY-QGZVFWFLSA-N 0 3 314.429 2.238 20 30 DEEDHN O=C(NC[C@@H](NCC#Cc1ccccc1)C1CC1)c1ccc[nH]1 ZINC001661106134 1080442941 /nfs/dbraw/zinc/44/29/41/1080442941.db2.gz DZANODBGXBXMIM-GOSISDBHSA-N 0 3 307.397 2.164 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001661266644 1080465355 /nfs/dbraw/zinc/46/53/55/1080465355.db2.gz DRTLSMRYRIYTPP-BMFZPTHFSA-N 0 3 300.406 2.120 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2ccnc(N(C)C)c2)C1 ZINC001661342538 1080471837 /nfs/dbraw/zinc/47/18/37/1080471837.db2.gz XVLZPBJFUBADQY-INIZCTEOSA-N 0 3 316.449 2.194 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)COCC2CCCC2)C1 ZINC001481768117 1080484850 /nfs/dbraw/zinc/48/48/50/1080484850.db2.gz 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ZINC001666355567 1081147088 /nfs/dbraw/zinc/14/70/88/1081147088.db2.gz OHCXFSUKHWCHBK-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1nccnc1C ZINC001666624071 1081167990 /nfs/dbraw/zinc/16/79/90/1081167990.db2.gz BPBBNBLXOCZZSC-ZDUSSCGKSA-N 0 3 304.438 2.229 20 30 DEEDHN C#CCOCCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001269241202 1081180010 /nfs/dbraw/zinc/18/00/10/1081180010.db2.gz SCEHRNDEELJUEP-GOSISDBHSA-N 0 3 314.429 2.068 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001269266511 1081190423 /nfs/dbraw/zinc/19/04/23/1081190423.db2.gz DHCKQNDZSOGLFN-WFASDCNBSA-N 0 3 304.438 2.196 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C1(C)CCCCCC1 ZINC001666920809 1081193841 /nfs/dbraw/zinc/19/38/41/1081193841.db2.gz KJPBOCFXDUFZTJ-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1(C)CCCCC1 ZINC001666982424 1081200064 /nfs/dbraw/zinc/20/00/64/1081200064.db2.gz IEMYYEOCFWGMQT-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2ccccc2OC)C1 ZINC001269292959 1081200899 /nfs/dbraw/zinc/20/08/99/1081200899.db2.gz QIYRBYZCIVMIOR-HNNXBMFYSA-N 0 3 318.417 2.044 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CNCc2ccc(OC)nc2)C1 ZINC001666988435 1081201226 /nfs/dbraw/zinc/20/12/26/1081201226.db2.gz XVGZPAVTTMEKIM-CQSZACIVSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)C[C@H]2CCCCO2)C1 ZINC001269318856 1081210762 /nfs/dbraw/zinc/21/07/62/1081210762.db2.gz RSIVMYZMUHIHGO-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc3n(n2)CCC3)[C@H](C)C1 ZINC001667165159 1081218351 /nfs/dbraw/zinc/21/83/51/1081218351.db2.gz YMALIADDRMBHKR-PBHICJAKSA-N 0 3 316.449 2.122 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@@H]2CCN2C(C)C)cc1 ZINC001269352794 1081226010 /nfs/dbraw/zinc/22/60/10/1081226010.db2.gz WJFDHHAJNXBXJL-INIZCTEOSA-N 0 3 302.418 2.393 20 30 DEEDHN C=C(C)CCN1CCN(C(=O)c2occc2CN(C)C)CC1 ZINC000949900825 1081227431 /nfs/dbraw/zinc/22/74/31/1081227431.db2.gz 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CCC[C@H](OCC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669638874 1081461188 /nfs/dbraw/zinc/46/11/88/1081461188.db2.gz DIQBEFVESJQJJS-WMZOPIPTSA-N 0 3 316.445 2.338 20 30 DEEDHN C#CCN(C(=O)[C@H](C)OCC)C1CCN(CC=C(C)C)CC1 ZINC001270290003 1081494789 /nfs/dbraw/zinc/49/47/89/1081494789.db2.gz CVBORXDGCTXEOW-INIZCTEOSA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cnc2n1CCCCC2 ZINC001670139152 1081498880 /nfs/dbraw/zinc/49/88/80/1081498880.db2.gz VNFLPFAEPUEAEJ-UHFFFAOYSA-N 0 3 324.856 2.414 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCC[C@H]1OC)C1CCN(CC(=C)C)CC1 ZINC001270320461 1081500838 /nfs/dbraw/zinc/50/08/38/1081500838.db2.gz BJENYUAXYVAKQS-ZWKOTPCHSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(C)cc1)C2 ZINC001111364715 1081506549 /nfs/dbraw/zinc/50/65/49/1081506549.db2.gz GKXGGJXHIWHOCX-NXHRZFHOSA-N 0 3 312.413 2.119 20 30 DEEDHN CC(C)C#CC(=O)NC1(C)CCN(CCc2ccns2)CC1 ZINC001671411271 1081515828 /nfs/dbraw/zinc/51/58/28/1081515828.db2.gz 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304.337 2.452 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cccnn2)CC1 ZINC001266390002 1082014691 /nfs/dbraw/zinc/01/46/91/1082014691.db2.gz HISQHMFSEISOOH-UHFFFAOYSA-N 0 3 302.422 2.369 20 30 DEEDHN O=C(NC[C@@H](NCC#Cc1ccccc1)C1CC1)C1=COCCC1 ZINC001266401682 1082021548 /nfs/dbraw/zinc/02/15/48/1082021548.db2.gz QIWNZVLKCFDUGS-LJQANCHMSA-N 0 3 324.424 2.217 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](NCc1cnc(C)nc1)C1CC1 ZINC001266412481 1082027534 /nfs/dbraw/zinc/02/75/34/1082027534.db2.gz UOOGEIUKZMDQGW-INIZCTEOSA-N 0 3 302.422 2.126 20 30 DEEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](C)COC)C2)CC1 ZINC001271438865 1082043001 /nfs/dbraw/zinc/04/30/01/1082043001.db2.gz PSOOMTBFXBKKBT-WMZOPIPTSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)NC(C)(C)C ZINC001271697197 1082110967 /nfs/dbraw/zinc/11/09/67/1082110967.db2.gz YJZVVDRRUMILQS-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C(=O)CSCC#N)C1CCN(CC=C(C)C)CC1 ZINC001671457014 1082124901 /nfs/dbraw/zinc/12/49/01/1082124901.db2.gz 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/nfs/dbraw/zinc/23/59/05/1082235905.db2.gz AAXBRVGESWJRPH-DLBZAZTESA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)COc1c(C)cccc1C ZINC001670719017 1082250665 /nfs/dbraw/zinc/25/06/65/1082250665.db2.gz IJNSEQSCCFESLX-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001670719657 1082251134 /nfs/dbraw/zinc/25/11/34/1082251134.db2.gz SVXVQYAKRIBISX-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN Cc1cc(C(=O)N(C)CCNCc2ccc(C#N)cc2)cc(C)n1 ZINC001266712506 1082300143 /nfs/dbraw/zinc/30/01/43/1082300143.db2.gz YZMMRWLJLOXXCJ-UHFFFAOYSA-N 0 3 322.412 2.432 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)COc2cccc(Cl)c2)C1 ZINC001266768139 1082331622 /nfs/dbraw/zinc/33/16/22/1082331622.db2.gz ZHGIAXMYNPVIFL-CQSZACIVSA-N 0 3 320.820 2.180 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(C)cc1C ZINC001482596100 1082339817 /nfs/dbraw/zinc/33/98/17/1082339817.db2.gz GOHCLNXNRZSZFH-KRWDZBQOSA-N 0 3 316.445 2.232 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#CC ZINC001266886288 1082430795 /nfs/dbraw/zinc/43/07/95/1082430795.db2.gz LODQNTYTUDLSRZ-IRXDYDNUSA-N 0 3 304.434 2.058 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCC2CCC2)C1 ZINC001266890607 1082433646 /nfs/dbraw/zinc/43/36/46/1082433646.db2.gz HCCKPQHOAQSLEZ-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1sc(C)nc1CC(C)C ZINC001266949406 1082470028 /nfs/dbraw/zinc/47/00/28/1082470028.db2.gz DRIARDLYLRHDIG-GFCCVEGCSA-N 0 3 307.463 2.381 20 30 DEEDHN CCC[C@@H]1CCC[C@H]1C(=O)N(CC)CCNCC#CCOC ZINC001482936302 1082568125 /nfs/dbraw/zinc/56/81/25/1082568125.db2.gz XMVUSKLTMQGJDX-IAGOWNOFSA-N 0 3 308.466 2.291 20 30 DEEDHN COc1ccc(CNC/C=C\CNC(=O)C=C(C)C)cc1C#N ZINC001482976893 1082589821 /nfs/dbraw/zinc/58/98/21/1082589821.db2.gz MCLMISSLVAUENQ-PLNGDYQASA-N 0 3 313.401 2.295 20 30 DEEDHN CCCc1ccccc1C(=O)NC/C=C\CNCC#CCOC ZINC001483034467 1082635882 /nfs/dbraw/zinc/63/58/82/1082635882.db2.gz HGGSWFDLCCIJNN-SREVYHEPSA-N 0 3 314.429 2.165 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001483091982 1082702303 /nfs/dbraw/zinc/70/23/03/1082702303.db2.gz CUYJPFYJZWPULD-ZFDPJTLLSA-N 0 3 302.443 2.382 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001483094867 1082704242 /nfs/dbraw/zinc/70/42/42/1082704242.db2.gz GWELAAYQKKBWJE-WIJLQKJISA-N 0 3 318.367 2.354 20 30 DEEDHN C[C@H](CNCc1ccc(Cl)nc1)NC(=O)C#CC(C)(C)C ZINC001483127576 1082740721 /nfs/dbraw/zinc/74/07/21/1082740721.db2.gz FVCOUKCVXDSYHS-GFCCVEGCSA-N 0 3 307.825 2.379 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)COc2ccccc2)C1 ZINC001409281431 1082741461 /nfs/dbraw/zinc/74/14/61/1082741461.db2.gz LIABQBZFXHYKPA-UHFFFAOYSA-N 0 3 308.809 2.302 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC12CCC2 ZINC001483170537 1082790427 /nfs/dbraw/zinc/79/04/27/1082790427.db2.gz KAUOTGZZFZQJDC-IUODEOHRSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CNCc1ccccc1Cl ZINC001483222566 1082825248 /nfs/dbraw/zinc/82/52/48/1082825248.db2.gz BBASRCNQSODZHU-LRDDRELGSA-N 0 3 310.825 2.261 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(N(C)C)c1)NC(=O)C#CC1CC1 ZINC001483336174 1083112263 /nfs/dbraw/zinc/11/22/63/1083112263.db2.gz KMXJBJQLZOLARQ-OAHLLOKOSA-N 0 3 313.445 2.103 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001483348832 1083120152 /nfs/dbraw/zinc/12/01/52/1083120152.db2.gz BCOOWBBVYBGPKS-CZUORRHYSA-N 0 3 302.418 2.348 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001276459494 1083448260 /nfs/dbraw/zinc/44/82/60/1083448260.db2.gz AXCWSUILTFCYFH-CHWSQXEVSA-N 0 3 318.465 2.218 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001281184671 1083544508 /nfs/dbraw/zinc/54/45/08/1083544508.db2.gz MZHULKIVGMXZDY-FUHWJXTLSA-N 0 3 308.466 2.025 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)c3ccc(F)cc3)[C@@H]2C1 ZINC001276748469 1083585605 /nfs/dbraw/zinc/58/56/05/1083585605.db2.gz LBNRQQGKQMIICP-XDKFSHSGSA-N 0 3 314.404 2.247 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccnn1CCC ZINC001276859497 1083650149 /nfs/dbraw/zinc/65/01/49/1083650149.db2.gz BMTGQAAUYQKKHW-GJZGRUSLSA-N 0 3 304.438 2.452 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H](OCC)C(=C)C)C2)C1 ZINC001276862615 1083651266 /nfs/dbraw/zinc/65/12/66/1083651266.db2.gz OPBSVJFMJHGHFP-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@]2(C)CN(CC#CC)C[C@@]2(C)C1 ZINC001276894495 1083667046 /nfs/dbraw/zinc/66/70/46/1083667046.db2.gz WDTIDKUSRFWTBM-QRQLOZEOSA-N 0 3 318.461 2.161 20 30 DEEDHN N#Cc1ccccc1N1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001276953109 1083697254 /nfs/dbraw/zinc/69/72/54/1083697254.db2.gz IFPGKQTWDHCNOS-CALCHBBNSA-N 0 3 307.401 2.108 20 30 DEEDHN CCc1cccc(CNC2(CNC(=O)CSCC#N)CC2)c1 ZINC001277006371 1083730187 /nfs/dbraw/zinc/73/01/87/1083730187.db2.gz DHFZQYIPODNATD-UHFFFAOYSA-N 0 3 317.458 2.244 20 30 DEEDHN CC(C)C#CC(=O)NCC1(NCc2ccc3c(c2)COC3)CC1 ZINC001277055413 1083751747 /nfs/dbraw/zinc/75/17/47/1083751747.db2.gz PRGLNMHJSKWKSG-UHFFFAOYSA-N 0 3 312.413 2.115 20 30 DEEDHN C[C@@H](CCCNCc1cc(C#N)ccc1F)NC(=O)C(F)F ZINC001277098246 1083772970 /nfs/dbraw/zinc/77/29/70/1083772970.db2.gz AAFCWZJHCLOYPW-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2(NCCC(F)(F)F)CC2)cc1 ZINC001277132591 1083793443 /nfs/dbraw/zinc/79/34/43/1083793443.db2.gz FMTXSDNPYNCARD-UHFFFAOYSA-N 0 3 310.319 2.472 20 30 DEEDHN CC#CCNC1(CNC(=O)c2c(F)ccc(F)c2Cl)CC1 ZINC001277182778 1083834076 /nfs/dbraw/zinc/83/40/76/1083834076.db2.gz BTJCMUPGNMUHNU-UHFFFAOYSA-N 0 3 312.747 2.494 20 30 DEEDHN C=CCOc1ccc(CN2CCC3(C[C@@H]3C(N)=O)CC2)cc1 ZINC001277199003 1083842699 /nfs/dbraw/zinc/84/26/99/1083842699.db2.gz KFOBCYPWHYWAJR-MRXNPFEDSA-N 0 3 300.402 2.339 20 30 DEEDHN CCCCCCCN1CC[C@H]2C[C@]21C(=O)NCc1ccnn1C ZINC001277225560 1083854928 /nfs/dbraw/zinc/85/49/28/1083854928.db2.gz VPUCFLBNLMCXMB-MAUKXSAKSA-N 0 3 318.465 2.471 20 30 DEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1c[nH]nc1C)CC2 ZINC001272754992 1083925276 /nfs/dbraw/zinc/92/52/76/1083925276.db2.gz PXDUSYAAGVRFAZ-OAHLLOKOSA-N 0 3 302.422 2.013 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)c2cocc2C)CC1 ZINC001277404573 1083950906 /nfs/dbraw/zinc/95/09/06/1083950906.db2.gz CXASSPFQOZKWOK-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001490928304 1083958717 /nfs/dbraw/zinc/95/87/17/1083958717.db2.gz LRWWHMRKMBURMV-KKOKHZNYSA-N 0 3 319.232 2.133 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)CSC)C2)CC1 ZINC001277483122 1083996471 /nfs/dbraw/zinc/99/64/71/1083996471.db2.gz SPYKUBYFAGYCBX-HNNXBMFYSA-N 0 3 308.491 2.323 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001277509398 1084011238 /nfs/dbraw/zinc/01/12/38/1084011238.db2.gz LOZSARXFDKCARB-CQSZACIVSA-N 0 3 320.355 2.066 20 30 DEEDHN C=CCN(CCc1ccco1)Cc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC001168578935 1084040381 /nfs/dbraw/zinc/04/03/81/1084040381.db2.gz GCWMZRODLJNEPV-UHFFFAOYSA-N 0 3 323.356 2.130 20 30 DEEDHN N#Cc1ccc(CCCN2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)cc1 ZINC001277596316 1084050290 /nfs/dbraw/zinc/05/02/90/1084050290.db2.gz WZEHOGNRJXTTIR-GOSISDBHSA-N 0 3 321.424 2.211 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCC1(c3ccccc3)CC1)C2 ZINC001649062018 1084069183 /nfs/dbraw/zinc/06/91/83/1084069183.db2.gz ASMVRFIAHJWPCG-RYZJOYRSSA-N 0 3 323.440 2.364 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1cc2n(n1)CCC2 ZINC001272802880 1084082680 /nfs/dbraw/zinc/08/26/80/1084082680.db2.gz PEQIFIWWDHRORZ-CQSZACIVSA-N 0 3 318.465 2.416 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001491121301 1084085769 /nfs/dbraw/zinc/08/57/69/1084085769.db2.gz WMEAUYQRDSKFMU-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001491123612 1084099420 /nfs/dbraw/zinc/09/94/20/1084099420.db2.gz XROYSIYIVLEAOS-HNNXBMFYSA-N 0 3 316.449 2.217 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H](OC)C1 ZINC001212397390 1084197022 /nfs/dbraw/zinc/19/70/22/1084197022.db2.gz KJTRIMFROZPWRU-CHWSQXEVSA-N 0 3 318.408 2.449 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC[C@@H]1CCCO1 ZINC001671010866 1084202090 /nfs/dbraw/zinc/20/20/90/1084202090.db2.gz CADHKWRZJLIZII-KSZLIROESA-N 0 3 318.461 2.424 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCC2CCOCC2)C1 ZINC001491284362 1084208658 /nfs/dbraw/zinc/20/86/58/1084208658.db2.gz BURIFMISBWTPHM-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCOc2ccccc2)C1 ZINC001491297985 1084219403 /nfs/dbraw/zinc/21/94/03/1084219403.db2.gz ASYJZOPWOLADBL-DLBZAZTESA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H](OCC)C(C)C)C2)C1 ZINC001671038694 1084224160 /nfs/dbraw/zinc/22/41/60/1084224160.db2.gz GLYAKZOYSSEFKL-IEBWSBKVSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)CC(C)C)C2)n1 ZINC001128076812 1084253318 /nfs/dbraw/zinc/25/33/18/1084253318.db2.gz MTACSUBGHCIGFO-MRXNPFEDSA-N 0 3 316.449 2.098 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001077855703 1084298051 /nfs/dbraw/zinc/29/80/51/1084298051.db2.gz KJDLKMSOEKLFFZ-HZPDHXFCSA-N 0 3 322.836 2.390 20 30 DEEDHN CCOC1CC(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)C1 ZINC001491445476 1084315108 /nfs/dbraw/zinc/31/51/08/1084315108.db2.gz VZZLVVOTXWJKSN-HIFPTAJRSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@H](CNC(=O)C#CC(C)(C)C)NCc1ccccc1N(C)C ZINC001491450616 1084321650 /nfs/dbraw/zinc/32/16/50/1084321650.db2.gz BTOBAGVTMDDYFB-OAHLLOKOSA-N 0 3 315.461 2.396 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@H](NC(=O)[C@@H](C)CC)C2)n1 ZINC001128089488 1084323080 /nfs/dbraw/zinc/32/30/80/1084323080.db2.gz JPGCTTMYNOYOGX-HOCLYGCPSA-N 0 3 316.449 2.098 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001491455801 1084325348 /nfs/dbraw/zinc/32/53/48/1084325348.db2.gz UFYQBOANVVINSU-UONOGXRCSA-N 0 3 322.836 2.281 20 30 DEEDHN C(#Cc1ccccc1CN1C[C@@H]2COC[C@H](C1)N2)c1ccccc1 ZINC001235297656 1084377109 /nfs/dbraw/zinc/37/71/09/1084377109.db2.gz FAZPAKMXODYDED-OYRHEFFESA-N 0 3 318.420 2.259 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2c(c1)COC2 ZINC001272861792 1084388794 /nfs/dbraw/zinc/38/87/94/1084388794.db2.gz QDQYRLPUVQGPAE-FQEVSTJZSA-N 0 3 324.424 2.307 20 30 DEEDHN CO[C@@H](C)CC(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001235391064 1084415819 /nfs/dbraw/zinc/41/58/19/1084415819.db2.gz ZBBIXOLFSWGTFM-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001078086034 1084527861 /nfs/dbraw/zinc/52/78/61/1084527861.db2.gz NDVWHAAMNSABMH-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001078217415 1084593634 /nfs/dbraw/zinc/59/36/34/1084593634.db2.gz FBEFOPJEOSYCTE-KBAYOESNSA-N 0 3 316.445 2.226 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)CCC[C@H](C)CCC)C1=O ZINC001128151911 1084648523 /nfs/dbraw/zinc/64/85/23/1084648523.db2.gz CJSGQNMYHHLAJD-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN COc1ccc(C[C@](C)(CO)NCc2cc(C#N)ccn2)cc1 ZINC001364527673 1126184569 /nfs/dbraw/zinc/18/45/69/1126184569.db2.gz DCMJMAKVNSWAIO-GOSISDBHSA-N 0 3 311.385 2.045 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]nc2C)C12CCC2 ZINC001078692434 1084826778 /nfs/dbraw/zinc/82/67/78/1084826778.db2.gz AAXPWBIVTQUICO-STQMWFEESA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccn(CC)n2)C12CCC2 ZINC001078741745 1084855522 /nfs/dbraw/zinc/85/55/22/1084855522.db2.gz KJWPVUCJPNGYQG-KBPBESRZSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2oncc2C)C12CCC2 ZINC001078764410 1084877370 /nfs/dbraw/zinc/87/73/70/1084877370.db2.gz SFMJIUJDWFZJQF-NWDGAFQWSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C12CCC2 ZINC001078801205 1084885732 /nfs/dbraw/zinc/88/57/32/1084885732.db2.gz SCQSUMMKQHDFOD-CHWSQXEVSA-N 0 3 321.808 2.170 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H](C)NCc2ncccc2C)cn1 ZINC001485948417 1084994816 /nfs/dbraw/zinc/99/48/16/1084994816.db2.gz WZLJYYXKRPQGIX-OAHLLOKOSA-N 0 3 322.412 2.017 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COc1ccccc1CC ZINC001485951336 1084998290 /nfs/dbraw/zinc/99/82/90/1084998290.db2.gz IVBSVIJZYCGUED-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCC(=O)N(C)CC)CCCC1 ZINC001485964481 1085014084 /nfs/dbraw/zinc/01/40/84/1085014084.db2.gz JRXWCVMPJWIROM-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C3CC3)n2)[C@H]1C ZINC001486079899 1085047520 /nfs/dbraw/zinc/04/75/20/1085047520.db2.gz SHHCICYQWXVELG-OCCSQVGLSA-N 0 3 317.437 2.117 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2cccnc2)[C@H]1C ZINC001486077077 1085062055 /nfs/dbraw/zinc/06/20/55/1085062055.db2.gz ZFJIBYOKEIBRAX-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@H]1C ZINC001486137375 1085083191 /nfs/dbraw/zinc/08/31/91/1085083191.db2.gz VDGYIVPYWFRBRU-KGLIPLIRSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC001486182074 1085110311 /nfs/dbraw/zinc/11/03/11/1085110311.db2.gz TZNLBCSYKRWARB-WBVHZDCISA-N 0 3 319.449 2.119 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2cnc(C)cn2)C1 ZINC001486193421 1085120033 /nfs/dbraw/zinc/12/00/33/1085120033.db2.gz BWHLQFQYPZTZFI-GJZGRUSLSA-N 0 3 302.422 2.126 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](CNCc2cnc(C)o2)C1 ZINC001486197324 1085124443 /nfs/dbraw/zinc/12/44/43/1085124443.db2.gz HAEBXDXAYXVWAZ-CABCVRRESA-N 0 3 303.406 2.161 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(OCCC)c1 ZINC000960155947 1085132594 /nfs/dbraw/zinc/13/25/94/1085132594.db2.gz LOHDTHHGVAMGOZ-FVQHAEBGSA-N 0 3 300.402 2.321 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](N[C@H](C)C(=O)NCCC)C(C)(C)C1 ZINC001486233458 1085172010 /nfs/dbraw/zinc/17/20/10/1085172010.db2.gz LNDVHNRIBTYDRZ-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc2ccccc2nn1)C(C)C ZINC001486373082 1085246173 /nfs/dbraw/zinc/24/61/73/1085246173.db2.gz OHUOPSBALWBRFO-UHFFFAOYSA-N 0 3 324.428 2.436 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc2ccccc2nn1 ZINC001272944626 1085282429 /nfs/dbraw/zinc/28/24/29/1085282429.db2.gz 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ZINC000961114326 1085588011 /nfs/dbraw/zinc/58/80/11/1085588011.db2.gz NSVKBJGXRMHCBQ-KNCOVGOOSA-N 0 3 318.804 2.048 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC000961114325 1085588244 /nfs/dbraw/zinc/58/82/44/1085588244.db2.gz NSVKBJGXRMHCBQ-CTASWTNQSA-N 0 3 318.804 2.048 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCN(CCF)C3)C2)[nH]1 ZINC000961130002 1085597278 /nfs/dbraw/zinc/59/72/78/1085597278.db2.gz GCYCTIIOHFQKTN-ZIAGYGMSSA-N 0 3 318.396 2.030 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2Cc2cn(C)c3ccccc23)C1=O ZINC001272987659 1085802146 /nfs/dbraw/zinc/80/21/46/1085802146.db2.gz GTDGOKJEZDUFNQ-HXUWFJFHSA-N 0 3 321.424 2.378 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(CCOC4CCC4)C[C@H]32)CC1 ZINC000961686145 1085825058 /nfs/dbraw/zinc/82/50/58/1085825058.db2.gz HTNBKTJKVABFCX-PIIMJCKOSA-N 0 3 318.461 2.348 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(CC(C)C)nc1C ZINC000961996874 1085935627 /nfs/dbraw/zinc/93/56/27/1085935627.db2.gz ZFEOTYUZNQPMRV-NHAGDIPZSA-N 0 3 303.406 2.028 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1C(C)(C)C ZINC000962233740 1086028514 /nfs/dbraw/zinc/02/85/14/1086028514.db2.gz DGJROYBNMJCTHN-ITGUQSILSA-N 0 3 303.406 2.208 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn([C@@H](C)CC)c1C ZINC000962249447 1086035891 /nfs/dbraw/zinc/03/58/91/1086035891.db2.gz FFNZXMQVJARQCC-DANNLKNASA-N 0 3 302.422 2.009 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3cnc(C)o3)C2)C1 ZINC000962282704 1086051738 /nfs/dbraw/zinc/05/17/38/1086051738.db2.gz NZSAAJYTCFSJIB-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128804287 1086393421 /nfs/dbraw/zinc/39/34/21/1086393421.db2.gz ZXYWLWKBSOBPNV-OAGGEKHMSA-N 0 3 319.453 2.022 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1cnn(CC)c1)C2 ZINC000963644193 1086523870 /nfs/dbraw/zinc/52/38/70/1086523870.db2.gz FUBDFRZHMLBVNV-UHFFFAOYSA-N 0 3 322.840 2.286 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001078993087 1086615683 /nfs/dbraw/zinc/61/56/83/1086615683.db2.gz OBJMNGBISLFIOH-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)CN(C)CCC ZINC001062291934 1086837214 /nfs/dbraw/zinc/83/72/14/1086837214.db2.gz NOOYILXDXWFDGX-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CN(C)CCC)CCC1 ZINC001063894848 1087502031 /nfs/dbraw/zinc/50/20/31/1087502031.db2.gz GAHLETGNDLZYQA-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCC1 ZINC001064397140 1087590565 /nfs/dbraw/zinc/59/05/65/1087590565.db2.gz IGCPRXRYBVEBAP-WMLDXEAASA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2CC2)CC[C@H]1c1ccc(F)cc1 ZINC001079147808 1087726462 /nfs/dbraw/zinc/72/64/62/1087726462.db2.gz KQXKAMSXQLJRCY-DLBZAZTESA-N 0 3 300.377 2.143 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)C2CC2)C[C@H]1c1cccc(F)c1 ZINC001079177728 1087738748 /nfs/dbraw/zinc/73/87/48/1087738748.db2.gz GUSFGTBVGYDLFU-JEBQAFNWSA-N 0 3 314.404 2.389 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1c1cccc(F)c1 ZINC001079193742 1087758196 /nfs/dbraw/zinc/75/81/96/1087758196.db2.gz SQZKBRQTSNGVRZ-ARFHVFGLSA-N 0 3 306.356 2.091 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCOc3ccccc3)C[C@H]21 ZINC001114693291 1088109545 /nfs/dbraw/zinc/10/95/45/1088109545.db2.gz YPFGFRWPTFCPFQ-FVQHAEBGSA-N 0 3 314.429 2.324 20 30 DEEDHN Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001079592669 1088238585 /nfs/dbraw/zinc/23/85/85/1088238585.db2.gz RTTYEOOQVBLSEK-RDTXWAMCSA-N 0 3 322.412 2.445 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001079701109 1088338327 /nfs/dbraw/zinc/33/83/27/1088338327.db2.gz WBABDGBRTHQMNV-JHJVBQTASA-N 0 3 323.462 2.477 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001079753643 1088382498 /nfs/dbraw/zinc/38/24/98/1088382498.db2.gz FAYFUPMXKJLVKB-HYVNUMGLSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncnc3ccsc32)C1 ZINC001079819799 1088421919 /nfs/dbraw/zinc/42/19/19/1088421919.db2.gz LXFAKUDQKGNWPB-DGCLKSJQSA-N 0 3 316.430 2.318 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001079805236 1088427434 /nfs/dbraw/zinc/42/74/34/1088427434.db2.gz JYFIXZUFICHGFK-BPLDGKMQSA-N 0 3 313.873 2.050 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001079826286 1088434628 /nfs/dbraw/zinc/43/46/28/1088434628.db2.gz QSTHJPRUTPVRIA-KBAYOESNSA-N 0 3 313.445 2.278 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccnn2C(CC)CC)C1 ZINC001079845100 1088447253 /nfs/dbraw/zinc/44/72/53/1088447253.db2.gz MTBIVSJXNRSWBE-GDBMZVCRSA-N 0 3 316.449 2.318 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOC3CCC3)C[C@H]21 ZINC001114791857 1088503284 /nfs/dbraw/zinc/50/32/84/1088503284.db2.gz KVZZRILIANSULW-LHHMISFZSA-N 0 3 306.450 2.204 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001080094741 1088620063 /nfs/dbraw/zinc/62/00/63/1088620063.db2.gz KPCXOFOEEJFISC-DGCLKSJQSA-N 0 3 307.344 2.093 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001080127228 1088639426 /nfs/dbraw/zinc/63/94/26/1088639426.db2.gz OTIFLZKYSYVUAA-UKRRQHHQSA-N 0 3 312.417 2.269 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001080211162 1088683765 /nfs/dbraw/zinc/68/37/65/1088683765.db2.gz JTZGOQJBWAQDIY-CXAGYDPISA-N 0 3 311.429 2.341 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2C)CC1 ZINC001080384779 1088858711 /nfs/dbraw/zinc/85/87/11/1088858711.db2.gz OSRVQDWTDYPSFS-NVXWUHKLSA-N 0 3 316.449 2.066 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC000958244833 1088879255 /nfs/dbraw/zinc/87/92/55/1088879255.db2.gz XWJNLHSSIUIALM-DLBZAZTESA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN1C[C@H](O)[C@H](CNC(=O)c2csc3ccccc23)C1 ZINC000958297189 1088909536 /nfs/dbraw/zinc/90/95/36/1088909536.db2.gz OXIJLMICXMTIIG-DOMZBBRYSA-N 0 3 316.426 2.110 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC000958439348 1088990109 /nfs/dbraw/zinc/99/01/09/1088990109.db2.gz XAOYOJAYKHSTFN-ZFWWWQNUSA-N 0 3 320.433 2.094 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000958515288 1089037921 /nfs/dbraw/zinc/03/79/21/1089037921.db2.gz IGAUMUVUNXUARO-DOTOQJQBSA-N 0 3 316.445 2.193 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001080572538 1089051520 /nfs/dbraw/zinc/05/15/20/1089051520.db2.gz IXDSRLQWSDRUGC-QSGLGXSPSA-N 0 3 308.425 2.032 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC000958595472 1089080870 /nfs/dbraw/zinc/08/08/70/1089080870.db2.gz RZHORNHHOKCOEU-CABCVRRESA-N 0 3 320.433 2.003 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001080622171 1089098721 /nfs/dbraw/zinc/09/87/21/1089098721.db2.gz IAKZXIBZYJGSON-CKEIUWERSA-N 0 3 312.413 2.083 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2c(C)cc(C)cc2C)[C@H](O)C1 ZINC000958654066 1089126338 /nfs/dbraw/zinc/12/63/38/1089126338.db2.gz QFFDNCMWJIBOKY-IAGOWNOFSA-N 0 3 316.445 2.210 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2sccc2C(C)C)C1 ZINC000958723099 1089148572 /nfs/dbraw/zinc/14/85/72/1089148572.db2.gz CVJPSBDSACVSQW-DZGCQCFKSA-N 0 3 322.474 2.470 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000958762980 1089165948 /nfs/dbraw/zinc/16/59/48/1089165948.db2.gz POPQIBBVBOSKOQ-DZGCQCFKSA-N 0 3 324.371 2.007 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(CC)c(CC)c2)C1 ZINC000958769016 1089170575 /nfs/dbraw/zinc/17/05/75/1089170575.db2.gz DGNXIDHAIQARHK-ROUUACIJSA-N 0 3 316.445 2.020 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001080853748 1089212647 /nfs/dbraw/zinc/21/26/47/1089212647.db2.gz OOBPTLYHYLTHDW-DGCLKSJQSA-N 0 3 301.415 2.303 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001080893846 1089224017 /nfs/dbraw/zinc/22/40/17/1089224017.db2.gz OZPPGLTWXISXSS-TZMCWYRMSA-N 0 3 302.443 2.310 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001080877324 1089227547 /nfs/dbraw/zinc/22/75/47/1089227547.db2.gz QJZPSYSPVSIFIQ-GDBMZVCRSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1c1ccccc1 ZINC001081088154 1089337440 /nfs/dbraw/zinc/33/74/40/1089337440.db2.gz JAFHKZYNTVURLR-RBUKOAKNSA-N 0 3 319.408 2.221 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cc[nH]c2CC)C[C@H]1c1ccccc1 ZINC001081114097 1089360507 /nfs/dbraw/zinc/36/05/07/1089360507.db2.gz ZVRSHBFKPOHTAB-PKOBYXMFSA-N 0 3 321.424 2.408 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CN(C)C(C)C ZINC001082262199 1089813473 /nfs/dbraw/zinc/81/34/73/1089813473.db2.gz AEDYCDXSQIMGDQ-INIZCTEOSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1ncc(CNC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)s1 ZINC000959919309 1089845908 /nfs/dbraw/zinc/84/59/08/1089845908.db2.gz NHZUKLPMQGTUSH-YPMHNXCESA-N 0 3 306.435 2.082 20 30 DEEDHN O=C(C#CC1CC1)N1CCCC[C@H]1CNCc1cncc(F)c1 ZINC000960002683 1089900665 /nfs/dbraw/zinc/90/06/65/1089900665.db2.gz 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ZINC001084703715 1090400504 /nfs/dbraw/zinc/40/05/04/1090400504.db2.gz MRJIPUWHDWOOLS-TZMCWYRMSA-N 0 3 320.824 2.161 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)[C@@H]2C1 ZINC001084743920 1090419096 /nfs/dbraw/zinc/41/90/96/1090419096.db2.gz LUABGDHKESRXHO-CRAIPNDOSA-N 0 3 322.412 2.041 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)n3c(C)ccc3C)[C@@H]2C1 ZINC001084851698 1090475412 /nfs/dbraw/zinc/47/54/12/1090475412.db2.gz MZNXWGJIASQADQ-KZNAEPCWSA-N 0 3 313.445 2.222 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCc2cccs2)C[C@H]1O ZINC001099858965 1090557119 /nfs/dbraw/zinc/55/71/19/1090557119.db2.gz URFDNQUYQQROHD-JKSUJKDBSA-N 0 3 322.474 2.198 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1C ZINC001085151407 1090676341 /nfs/dbraw/zinc/67/63/41/1090676341.db2.gz CLMXSEAMGPPUCC-ZIAGYGMSSA-N 0 3 310.829 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001085173933 1090691069 /nfs/dbraw/zinc/69/10/69/1090691069.db2.gz OXFCMBIXPGAITM-CHWSQXEVSA-N 0 3 306.797 2.269 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285572 1090708649 /nfs/dbraw/zinc/70/86/49/1090708649.db2.gz SGLIDSBGDWCKCE-KRWDZBQOSA-N 0 3 304.365 2.142 20 30 DEEDHN C=CCN1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285572 1090708655 /nfs/dbraw/zinc/70/86/55/1090708655.db2.gz SGLIDSBGDWCKCE-KRWDZBQOSA-N 0 3 304.365 2.142 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccn2ccnc12 ZINC001273393935 1091149574 /nfs/dbraw/zinc/14/95/74/1091149574.db2.gz BSKITLPGAYPQJA-LJQANCHMSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1c(Cl)cncc1Cl ZINC001274330260 1091189998 /nfs/dbraw/zinc/18/99/98/1091189998.db2.gz APMWITSXELMCNL-SNAWJCMRSA-N 0 3 312.200 2.287 20 30 DEEDHN COc1ccoc1CN1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001274460885 1091256939 /nfs/dbraw/zinc/25/69/39/1091256939.db2.gz DFBQXRIPWDVXJF-KRWDZBQOSA-N 0 3 317.389 2.016 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCCN2C[C@@H](O)c2ccccc2)C1=O ZINC001274561442 1091300246 /nfs/dbraw/zinc/30/02/46/1091300246.db2.gz RGRJLELEEWDXGB-MJGOQNOKSA-N 0 3 314.429 2.363 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cc4cccnc4[nH]3)CC2)C1=O ZINC001273425517 1091343938 /nfs/dbraw/zinc/34/39/38/1091343938.db2.gz NYHGTLZQCDGKAQ-UHFFFAOYSA-N 0 3 322.412 2.011 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274694102 1091374269 /nfs/dbraw/zinc/37/42/69/1091374269.db2.gz QRPXDAYSSAZSDK-SJORKVTESA-N 0 3 314.429 2.114 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)CCC1CC1 ZINC001274710388 1091382050 /nfs/dbraw/zinc/38/20/50/1091382050.db2.gz VVBIAKUPYPTAHI-CQSZACIVSA-N 0 3 302.393 2.462 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(c3cncn3C)C2)C1=O ZINC001274758222 1091401483 /nfs/dbraw/zinc/40/14/83/1091401483.db2.gz FCWBVGOMCHHQAO-GOSISDBHSA-N 0 3 308.385 2.101 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CCC(C)C ZINC001274970800 1091494931 /nfs/dbraw/zinc/49/49/31/1091494931.db2.gz CUZYFBUSGMUYTM-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCCN1CC2(CCN2C(=O)[C@@H]2CC3CCN2CC3)C1 ZINC001274973894 1091497716 /nfs/dbraw/zinc/49/77/16/1091497716.db2.gz DVTAZAHQDJBNOE-KRWDZBQOSA-N 0 3 317.477 2.114 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)c1ccc(F)nc1 ZINC001275098184 1091557390 /nfs/dbraw/zinc/55/73/90/1091557390.db2.gz AQEAZKASTLRVTD-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN CCCCCCCN1C[C@@H]2[C@H](C1)OCCN2C(=O)NC(C)C ZINC001275130603 1091574448 /nfs/dbraw/zinc/57/44/48/1091574448.db2.gz BQXNFHXJMQDEBH-CVEARBPZSA-N 0 3 311.470 2.460 20 30 DEEDHN CCCCCCCCCN1CC2(C1)CN(CC(=O)N(C)C)C2 ZINC001275132488 1091576534 /nfs/dbraw/zinc/57/65/34/1091576534.db2.gz UKCDBDBLMFAZFK-UHFFFAOYSA-N 0 3 309.498 2.443 20 30 DEEDHN C#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)cc1 ZINC001275132231 1091576602 /nfs/dbraw/zinc/57/66/02/1091576602.db2.gz OQYVGUZVTQVVPV-UXHICEINSA-N 0 3 310.441 2.496 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC001276137625 1091589599 /nfs/dbraw/zinc/58/95/99/1091589599.db2.gz YMRBLWVWHFOLBR-ABAIWWIYSA-N 0 3 324.856 2.266 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1c(C)nn(CC)c1C ZINC001275161059 1091591477 /nfs/dbraw/zinc/59/14/77/1091591477.db2.gz XNNUKKURSPJLRY-INIZCTEOSA-N 0 3 318.465 2.171 20 30 DEEDHN C=CC[C@H](C(=O)N1CCC[C@@H]1CN(C)CCO)c1ccccc1 ZINC001275167955 1091597475 /nfs/dbraw/zinc/59/74/75/1091597475.db2.gz TVZBYTBIZZSJRS-MSOLQXFVSA-N 0 3 316.445 2.261 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2nccnc2c1 ZINC001275167181 1091597502 /nfs/dbraw/zinc/59/75/02/1091597502.db2.gz NMYVKULHLMVRDI-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCCNCc2cc(C)n(C)n2)CC1 ZINC001276209722 1091694306 /nfs/dbraw/zinc/69/43/06/1091694306.db2.gz ZWRJCTIEQIHPOK-UHFFFAOYSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001493111742 1091732193 /nfs/dbraw/zinc/73/21/93/1091732193.db2.gz SRTJDPUORAAJMX-HZPDHXFCSA-N 0 3 304.438 2.237 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C(N)=O)cc1 ZINC001275566130 1091868771 /nfs/dbraw/zinc/86/87/71/1091868771.db2.gz MHVKLDBUKRHDFP-CQSZACIVSA-N 0 3 317.433 2.078 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCN(C)Cc1ccnc(Cl)c1 ZINC001273495785 1091884873 /nfs/dbraw/zinc/88/48/73/1091884873.db2.gz JZYOLINMPQQIKG-GFCCVEGCSA-N 0 3 308.813 2.175 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000948722187 1091902054 /nfs/dbraw/zinc/90/20/54/1091902054.db2.gz IOANBTUNHFMNMK-FUHWJXTLSA-N 0 3 314.404 2.412 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001273584218 1091936300 /nfs/dbraw/zinc/93/63/00/1091936300.db2.gz NQWWAWZKPYSYOJ-UHFFFAOYSA-N 0 3 312.417 2.060 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2cccc(F)c2F)CC1 ZINC000948813092 1091950035 /nfs/dbraw/zinc/95/00/35/1091950035.db2.gz SXKOBKLIMLQUKE-HNNXBMFYSA-N 0 3 320.383 2.453 20 30 DEEDHN CC[C@@H](C)N1CC[C@@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273633010 1091965908 /nfs/dbraw/zinc/96/59/08/1091965908.db2.gz YDUVPEFENIMUSE-RDTXWAMCSA-N 0 3 312.417 2.176 20 30 DEEDHN COCCN(C(=O)c1cc(C)cc(C#N)c1)C1CCN(C)CC1 ZINC001195420115 1092001856 /nfs/dbraw/zinc/00/18/56/1092001856.db2.gz JIXHSISHDMSISY-UHFFFAOYSA-N 0 3 315.417 2.050 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cc(F)ccc1F ZINC001275849066 1092225685 /nfs/dbraw/zinc/22/56/85/1092225685.db2.gz ADCJFPGNDSFFCT-GFCCVEGCSA-N 0 3 312.360 2.218 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1c[nH]c(Br)c1 ZINC001275883175 1092269053 /nfs/dbraw/zinc/26/90/53/1092269053.db2.gz ZKBAXHVKFGXQFT-VIFPVBQESA-N 0 3 300.200 2.013 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1c(C)noc1C(F)(F)F ZINC001275946905 1092362780 /nfs/dbraw/zinc/36/27/80/1092362780.db2.gz TZLHRMLZOUDAIS-QMMMGPOBSA-N 0 3 305.300 2.238 20 30 DEEDHN CN(C)C1(C(=O)NCc2cc(F)c(C#N)c(F)c2)CCCC1 ZINC001412040318 1092498095 /nfs/dbraw/zinc/49/80/95/1092498095.db2.gz BZLUXDLHWNWVQI-UHFFFAOYSA-N 0 3 307.344 2.327 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001488676895 1092679616 /nfs/dbraw/zinc/67/96/16/1092679616.db2.gz OUBGOARNYQUHDF-LSDHHAIUSA-N 0 3 317.433 2.184 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001488833989 1092792018 /nfs/dbraw/zinc/79/20/18/1092792018.db2.gz HSWRFFFEKBKJHY-HDJSIYSDSA-N 0 3 324.856 2.164 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)COCCCC)C(C)(C)[C@@H]21 ZINC001489081613 1092906641 /nfs/dbraw/zinc/90/66/41/1092906641.db2.gz KLQXSIAWZJKPJK-DJIMGWMZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC001489174172 1092945166 /nfs/dbraw/zinc/94/51/66/1092945166.db2.gz PIBZHBRSABLDNM-KRWDZBQOSA-N 0 3 320.477 2.284 20 30 DEEDHN C=CCCC(=O)N1CCc2sc(CNCC3CC3)nc2C1 ZINC001489335028 1093025576 /nfs/dbraw/zinc/02/55/76/1093025576.db2.gz GPZUFZKZVAHFHD-UHFFFAOYSA-N 0 3 305.447 2.494 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)CC2CC2)C1 ZINC001489372735 1093035826 /nfs/dbraw/zinc/03/58/26/1093035826.db2.gz UORVCLVDEFYMJX-UHFFFAOYSA-N 0 3 301.228 2.180 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN(C)C(=O)CN(CC)CC ZINC001490138389 1093211274 /nfs/dbraw/zinc/21/12/74/1093211274.db2.gz ODJKILHYWVCBDW-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN Cc1ncccc1CN(C)CCCNC(=O)C#CC(C)(C)C ZINC001490193239 1093241513 /nfs/dbraw/zinc/24/15/13/1093241513.db2.gz NOIWVJPXLKNDKI-UHFFFAOYSA-N 0 3 301.434 2.378 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1ccc(Cl)cc1 ZINC001490270614 1093268569 /nfs/dbraw/zinc/26/85/69/1093268569.db2.gz CGDUEMURIKJVHU-UHFFFAOYSA-N 0 3 308.809 2.042 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cnn(C)c1 ZINC001490299094 1093282048 /nfs/dbraw/zinc/28/20/48/1093282048.db2.gz PVNWWSXPNGDBQG-NVXWUHKLSA-N 0 3 316.449 2.083 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc(C(F)(F)F)n1 ZINC001490261688 1093287915 /nfs/dbraw/zinc/28/79/15/1093287915.db2.gz QLGOBKPNCFRVHV-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc2c1O[C@H](C)C2)C1CC1 ZINC001490378547 1093334552 /nfs/dbraw/zinc/33/45/52/1093334552.db2.gz HPSMREPDKUKPMG-CQSZACIVSA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2cocc2C)CC1 ZINC001490414651 1093370856 /nfs/dbraw/zinc/37/08/56/1093370856.db2.gz NXLKPUDSEPYUOJ-UHFFFAOYSA-N 0 3 306.406 2.327 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCN(C[C@@H](O)C2CCCCC2)C1 ZINC001490538736 1093402197 /nfs/dbraw/zinc/40/21/97/1093402197.db2.gz BEUWKMKYCQLIAD-IAGOWNOFSA-N 0 3 320.477 2.168 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CCC[C@@H](C)O)C2)CCCC1 ZINC001490581724 1093429519 /nfs/dbraw/zinc/42/95/19/1093429519.db2.gz AQSNOYITEGIBPO-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC001490586620 1093432285 /nfs/dbraw/zinc/43/22/85/1093432285.db2.gz INTFAUAEFLKWMI-PBHICJAKSA-N 0 3 322.412 2.189 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2cnc(C)cn2)CC1 ZINC001490606767 1093444117 /nfs/dbraw/zinc/44/41/17/1093444117.db2.gz ITNUKOMZMCEHNC-UHFFFAOYSA-N 0 3 302.422 2.288 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)CCC2(C)CC2)CC1 ZINC001490606539 1093444197 /nfs/dbraw/zinc/44/41/97/1093444197.db2.gz UMRFAWRWZBFKAJ-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN O=C(NC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1)C1CCC1 ZINC001490624059 1093449800 /nfs/dbraw/zinc/44/98/00/1093449800.db2.gz APKXUGDNKWACSK-GOSISDBHSA-N 0 3 314.404 2.462 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cc(F)cc(C(F)(F)F)c1 ZINC001252486334 1093565907 /nfs/dbraw/zinc/56/59/07/1093565907.db2.gz XEWQHYYWNBUTBE-CYBMUJFWSA-N 0 3 307.287 2.498 20 30 DEEDHN C=CCOC[C@H](O)CNCc1ccc(C(F)(F)F)cc1F ZINC001252486974 1093565940 /nfs/dbraw/zinc/56/59/40/1093565940.db2.gz KYOYQASXWIOXIY-GFCCVEGCSA-N 0 3 307.287 2.498 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](OC)C(F)(F)F ZINC001490805302 1093612216 /nfs/dbraw/zinc/61/22/16/1093612216.db2.gz GZDMYCOBBQIDAY-FRRDWIJNSA-N 0 3 320.355 2.205 20 30 DEEDHN CCc1nc(C(=O)NC/C=C\CNCc2ccc(C#N)cc2)co1 ZINC001273975174 1093696319 /nfs/dbraw/zinc/69/63/19/1093696319.db2.gz RUMXDKOLCZJZPH-ARJAWSKDSA-N 0 3 324.384 2.184 20 30 DEEDHN C#CCN1CCC2(CCN(CCC(=O)c3ccccc3)CC2)C1=O ZINC001274009928 1093762091 /nfs/dbraw/zinc/76/20/91/1093762091.db2.gz YZBAYWQYACMNRP-UHFFFAOYSA-N 0 3 324.424 2.207 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1snc(Cl)c1Cl ZINC001274068936 1093789250 /nfs/dbraw/zinc/78/92/50/1093789250.db2.gz OMRHBYSNKBSPQD-PLNGDYQASA-N 0 3 318.229 2.349 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2c[nH]nc2c1 ZINC001274225747 1093860106 /nfs/dbraw/zinc/86/01/06/1093860106.db2.gz PZORRJJUDVNIJF-LJQANCHMSA-N 0 3 322.412 2.153 20 30 DEEDHN N#Cc1cc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)ccn1 ZINC001237461275 1138638455 /nfs/dbraw/zinc/63/84/55/1138638455.db2.gz BFEPSGHHAFLPEF-CVEARBPZSA-N 0 3 304.353 2.121 20 30 DEEDHN CN1c2ccccc2[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001237466630 1138644609 /nfs/dbraw/zinc/64/46/09/1138644609.db2.gz VKCXZZYEIHSIFO-IBGZPJMESA-N 0 3 318.380 2.073 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](n3cncn3)C2)c2cc(C#N)ccc21 ZINC001237473722 1138647879 /nfs/dbraw/zinc/64/78/79/1138647879.db2.gz SBBHPSYPPWLNDW-MRXNPFEDSA-N 0 3 320.400 2.479 20 30 DEEDHN CC(=O)N(C)[C@@H]1CCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237473368 1138648139 /nfs/dbraw/zinc/64/81/39/1138648139.db2.gz ZAAZUEVZEKZMRU-MRXNPFEDSA-N 0 3 310.401 2.103 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](CO)N[C@H](C)c1cccc(F)c1 ZINC001278137889 1138773078 /nfs/dbraw/zinc/77/30/78/1138773078.db2.gz JUIRGCMYCRJJOC-PBHICJAKSA-N 0 3 320.408 2.147 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CO)NCc2cccc(C)c2)CC1 ZINC001278146275 1138789715 /nfs/dbraw/zinc/78/97/15/1138789715.db2.gz FHTZPVNJXXUAQW-SFHVURJKSA-N 0 3 316.445 2.308 20 30 DEEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)[C@H]1C ZINC001238409843 1138844399 /nfs/dbraw/zinc/84/43/99/1138844399.db2.gz PWPMJRIWRHXOLO-SWLSCSKDSA-N 0 3 302.374 2.340 20 30 DEEDHN COc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)ccc1C#N ZINC001238416403 1138844990 /nfs/dbraw/zinc/84/49/90/1138844990.db2.gz MSGXVESEJMZURA-JKSUJKDBSA-N 0 3 313.401 2.010 20 30 DEEDHN COc1ncc(-c2cccc(CN3CCN(C)CC3)c2)cc1C#N ZINC001240292633 1139322900 /nfs/dbraw/zinc/32/29/00/1139322900.db2.gz BVNGFGBJHHQIDH-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001295872612 1139618602 /nfs/dbraw/zinc/61/86/02/1139618602.db2.gz XNDLUHOBTMYKHT-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N(CCC)CCNC(=O)C1(N(C)C)CCC1 ZINC001296512010 1139802425 /nfs/dbraw/zinc/80/24/25/1139802425.db2.gz XAKGFQNIJWWQOG-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN CCN1CCN(c2ccc(-c3nc(C)cnc3C#N)cc2)CC1 ZINC001241742915 1139848025 /nfs/dbraw/zinc/84/80/25/1139848025.db2.gz PGSSIBQLGZDDAG-UHFFFAOYSA-N 0 3 307.401 2.466 20 30 DEEDHN CCN1CCN(c2ccc(-c3cnc(CC#N)nc3)cc2)CC1 ZINC001241743633 1139848092 /nfs/dbraw/zinc/84/80/92/1139848092.db2.gz PRCDAAIACADHOL-UHFFFAOYSA-N 0 3 307.401 2.352 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC(C)C)C1 ZINC001278337381 1139858317 /nfs/dbraw/zinc/85/83/17/1139858317.db2.gz VHVXRCHGEFHEIV-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@H](N2CCN(C(=O)CCCC(C)C)CC2)C1 ZINC001278350379 1140010277 /nfs/dbraw/zinc/01/02/77/1140010277.db2.gz VGQKNBJDFLARJR-SFHVURJKSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001329623303 1148943317 /nfs/dbraw/zinc/94/33/17/1148943317.db2.gz JSEXZGLAMRVIFT-OTBWCIGPSA-N 0 3 308.466 2.452 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@H](C)CCOc1ccccc1 ZINC001491700300 1140262055 /nfs/dbraw/zinc/26/20/55/1140262055.db2.gz XLVFXKMEZRHRPP-HZPDHXFCSA-N 0 3 302.418 2.209 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)COC[C@H](C)c2ccccc2)C1 ZINC001491767435 1140302328 /nfs/dbraw/zinc/30/23/28/1140302328.db2.gz CMDPDIKEBPTENH-WMZOPIPTSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001318443131 1140330000 /nfs/dbraw/zinc/33/00/00/1140330000.db2.gz RUZIMHNLSGHZEC-HNNXBMFYSA-N 0 3 317.433 2.241 20 30 DEEDHN C=C(C)C[NH2+]C[C@](C)(NC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001318697915 1140388376 /nfs/dbraw/zinc/38/83/76/1140388376.db2.gz FGFOAPGWHFSHOW-KRWDZBQOSA-N 0 3 313.405 2.022 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2cccc(OC)c2)C1 ZINC001278390144 1140476049 /nfs/dbraw/zinc/47/60/49/1140476049.db2.gz DSJSLWYBSYHBGK-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN CC#CCN1CC[C@@](C)(NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001278395774 1140521410 /nfs/dbraw/zinc/52/14/10/1140521410.db2.gz KSPMTXUIAQPKMC-MAUKXSAKSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1cc2n(n1)CCCC2 ZINC001319224124 1140529623 /nfs/dbraw/zinc/52/96/23/1140529623.db2.gz DUIGLWJBUYKYIV-AWEZNQCLSA-N 0 3 318.465 2.274 20 30 DEEDHN Cc1ccc(C(=O)N(C)[C@H](C)CNCC#Cc2ccccc2)n1C ZINC001319426435 1140569724 /nfs/dbraw/zinc/56/97/24/1140569724.db2.gz XXSRBVZOSRIDAO-QGZVFWFLSA-N 0 3 323.440 2.435 20 30 DEEDHN Cc1cccnc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319438966 1140575465 /nfs/dbraw/zinc/57/54/65/1140575465.db2.gz IBMYBUGFIOGBEJ-KRWDZBQOSA-N 0 3 321.424 2.492 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001319451506 1140579863 /nfs/dbraw/zinc/57/98/63/1140579863.db2.gz GHUOBOSOCUWALN-LBPRGKRZSA-N 0 3 307.463 2.500 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](CNCC#CCOC)CC(C)C)C1 ZINC001319633799 1140630496 /nfs/dbraw/zinc/63/04/96/1140630496.db2.gz LILKYTZKPANRRR-MRXNPFEDSA-N 0 3 306.450 2.113 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ccn(CC)n2)[C@H](C)C1 ZINC001319682321 1140658571 /nfs/dbraw/zinc/65/85/71/1140658571.db2.gz LYRLMTFKSHLHOQ-WBVHZDCISA-N 0 3 316.449 2.033 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2cscn2)[C@@H](C)C1 ZINC001319708821 1140677006 /nfs/dbraw/zinc/67/70/06/1140677006.db2.gz GEYXTJWNUQCIPJ-ZFWWWQNUSA-N 0 3 323.462 2.062 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cn(CCCC)nc2C)C1 ZINC001278411474 1140777087 /nfs/dbraw/zinc/77/70/87/1140777087.db2.gz RVKBLPYUQQIOOR-HOCLYGCPSA-N 0 3 316.449 2.208 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(CCCC)nc2C)C1 ZINC001278411471 1140780913 /nfs/dbraw/zinc/78/09/13/1140780913.db2.gz RVKBLPYUQQIOOR-GDBMZVCRSA-N 0 3 316.449 2.208 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001320025456 1140813459 /nfs/dbraw/zinc/81/34/59/1140813459.db2.gz IAMJNJOFAGUMQI-OLZOCXBDSA-N 0 3 322.371 2.453 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCOc2ccccc2C)C1 ZINC001278422168 1140838839 /nfs/dbraw/zinc/83/88/39/1140838839.db2.gz AVYKTNZYRVPJSQ-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)COc1cccc2ccccc21 ZINC001320281108 1140843990 /nfs/dbraw/zinc/84/39/90/1140843990.db2.gz DCOIMBSXVFSVCN-QGZVFWFLSA-N 0 3 313.397 2.161 20 30 DEEDHN C=CCOCCN1CC[C@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC001278430869 1140860239 /nfs/dbraw/zinc/86/02/39/1140860239.db2.gz KCGVZCFGOKPPIV-DOTOQJQBSA-N 0 3 304.390 2.209 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cnn2ccccc12 ZINC001320449427 1140867034 /nfs/dbraw/zinc/86/70/34/1140867034.db2.gz AWNOMARYNZGYSN-CYBMUJFWSA-N 0 3 320.824 2.114 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnn2ccc(C)cc12 ZINC001320453084 1140867512 /nfs/dbraw/zinc/86/75/12/1140867512.db2.gz FEOJJBVBVWMVBW-CYBMUJFWSA-N 0 3 320.824 2.493 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C/CN[C@H]1CCc2c1cc(F)cc2F ZINC001320996448 1141021892 /nfs/dbraw/zinc/02/18/92/1141021892.db2.gz DYKGRDNHNMLWCV-UCUGBYLTSA-N 0 3 319.355 2.374 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001321126770 1141061523 /nfs/dbraw/zinc/06/15/23/1141061523.db2.gz QEXSWGBBRMEPEL-MYSGNRETSA-N 0 3 302.422 2.061 20 30 DEEDHN C=C[C@@H](COC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001321270398 1141110528 /nfs/dbraw/zinc/11/05/28/1141110528.db2.gz FHMDGYYBRWTONO-WBVHZDCISA-N 0 3 320.408 2.355 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001321406288 1141231460 /nfs/dbraw/zinc/23/14/60/1141231460.db2.gz VNUVXSBAPHZIOI-KTKRTIGZSA-N 0 3 316.449 2.099 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H](C)CNCc2ccccn2)cc1 ZINC001321674252 1141326315 /nfs/dbraw/zinc/32/63/15/1141326315.db2.gz NVLMZLSBBXRKAN-OAHLLOKOSA-N 0 3 323.396 2.002 20 30 DEEDHN C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160414 1141422224 /nfs/dbraw/zinc/42/22/24/1141422224.db2.gz LMNQDNPSKQZANN-OLZOCXBDSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160414 1141422232 /nfs/dbraw/zinc/42/22/32/1141422232.db2.gz LMNQDNPSKQZANN-OLZOCXBDSA-N 0 3 315.421 2.363 20 30 DEEDHN CC(C)C#CC(=O)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001322989742 1141792778 /nfs/dbraw/zinc/79/27/78/1141792778.db2.gz AASQVPWHJSDBEK-QGZVFWFLSA-N 0 3 302.393 2.470 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001323259143 1141833565 /nfs/dbraw/zinc/83/35/65/1141833565.db2.gz QXHOWPYBQXGFCP-QWHCGFSZSA-N 0 3 302.422 2.057 20 30 DEEDHN N#Cc1ccc(F)c(-c2noc([C@H](O)[C@@H](N)c3ccccc3)n2)c1 ZINC001249179357 1141857420 /nfs/dbraw/zinc/85/74/20/1141857420.db2.gz WVQLMCSBYOZOMX-LSDHHAIUSA-N 0 3 324.315 2.481 20 30 DEEDHN COC(=O)Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)c([O-])c1 ZINC001249208569 1141859883 /nfs/dbraw/zinc/85/98/83/1141859883.db2.gz WNQUYKQBYFTXHG-UHFFFAOYSA-N 0 3 302.374 2.233 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001323681877 1141876415 /nfs/dbraw/zinc/87/64/15/1141876415.db2.gz VQFOZPOBMLVUOG-PMPSAXMXSA-N 0 3 306.450 2.300 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)c2ccsc2)CC1 ZINC001323736364 1141882507 /nfs/dbraw/zinc/88/25/07/1141882507.db2.gz MVJQJABUMZGGEX-UHFFFAOYSA-N 0 3 320.458 2.324 20 30 DEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2ccc(C)c(C)n2)CC1 ZINC001324408587 1142072819 /nfs/dbraw/zinc/07/28/19/1142072819.db2.gz WDXAPLJGMORXNP-UHFFFAOYSA-N 0 3 323.440 2.262 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]1CC)C1CCN(CCOC)CC1 ZINC001324420213 1142074577 /nfs/dbraw/zinc/07/45/77/1142074577.db2.gz NWDZFKBODVTXRD-SJLPKXTDSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC1(COC)CC1)C2 ZINC001324556706 1142099506 /nfs/dbraw/zinc/09/95/06/1142099506.db2.gz KRBJSCDDDZDSPX-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001421566875 1171850896 /nfs/dbraw/zinc/85/08/96/1171850896.db2.gz CKWRKFNQUKZSGU-CJNGLKHVSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001324614743 1142154269 /nfs/dbraw/zinc/15/42/69/1142154269.db2.gz KDLOOKVJIZJAPF-GOSISDBHSA-N 0 3 312.417 2.111 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(F)cc2F)s1 ZINC001250878439 1142343959 /nfs/dbraw/zinc/34/39/59/1142343959.db2.gz BNIYKZLWYOYNCS-LLVKDONJSA-N 0 3 324.352 2.427 20 30 DEEDHN CCCCCCCC[C@H](O)CNCc1cncc(C(N)=O)c1 ZINC001252139185 1142655359 /nfs/dbraw/zinc/65/53/59/1142655359.db2.gz KOKDVUPCGSSMMF-INIZCTEOSA-N 0 3 307.438 2.382 20 30 DEEDHN C=CCC[C@H](O)CNCc1cc(OC2CCOCC2)ccn1 ZINC001252621652 1142793206 /nfs/dbraw/zinc/79/32/06/1142793206.db2.gz FTNWIJXTNBUBNS-HNNXBMFYSA-N 0 3 306.406 2.056 20 30 DEEDHN C=CCC[C@H](O)CNCc1cccc(OC2CCOCC2)n1 ZINC001252622382 1142793625 /nfs/dbraw/zinc/79/36/25/1142793625.db2.gz TYCGQLAIFRESOK-HNNXBMFYSA-N 0 3 306.406 2.056 20 30 DEEDHN COc1ccc(OC[C@H](O)CN2CCC[C@@H](C#N)CC2)cc1 ZINC001252716086 1142811704 /nfs/dbraw/zinc/81/17/04/1142811704.db2.gz HFLYWYRARJOAPG-HUUCEWRRSA-N 0 3 304.390 2.061 20 30 DEEDHN CCC[C@@](C)(C#N)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252952551 1142833353 /nfs/dbraw/zinc/83/33/53/1142833353.db2.gz GIQYCZKPBIGAAK-ZWKOTPCHSA-N 0 3 301.434 2.295 20 30 DEEDHN C=C[C@H](O)CNCc1ccc2nnc(-c3cccc(F)c3)n2c1 ZINC001253610087 1142884098 /nfs/dbraw/zinc/88/40/98/1142884098.db2.gz QAKCHPCGWYPQGT-HNNXBMFYSA-N 0 3 312.348 2.172 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)CCCSC ZINC001338851928 1142885721 /nfs/dbraw/zinc/88/57/21/1142885721.db2.gz QJCRWQRXXJFCDK-AWEZNQCLSA-N 0 3 323.510 2.463 20 30 DEEDHN COc1cccc(OC[C@@H](O)CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001253955006 1143010406 /nfs/dbraw/zinc/01/04/06/1143010406.db2.gz IPRHQIYPNITOPN-JONQDZQNSA-N 0 3 316.401 2.201 20 30 DEEDHN COc1cccc(OC[C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC001253976819 1143015879 /nfs/dbraw/zinc/01/58/79/1143015879.db2.gz UNFUOUGDADGOIO-LBPRGKRZSA-N 0 3 318.398 2.158 20 30 DEEDHN Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)CC#N)CC2)cc1 ZINC001254174027 1143052442 /nfs/dbraw/zinc/05/24/42/1143052442.db2.gz VMIXMVHIJMFBNK-AWEZNQCLSA-N 0 3 321.446 2.040 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)CCc2cccc(Cl)c2)C1 ZINC001278795964 1143265737 /nfs/dbraw/zinc/26/57/37/1143265737.db2.gz VECCLXMVPOAYLO-QGZVFWFLSA-N 0 3 322.836 2.012 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001254673684 1143308729 /nfs/dbraw/zinc/30/87/29/1143308729.db2.gz MZMIUTVOUKJDJT-QZTJIDSGSA-N 0 3 311.429 2.456 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC(NC(=O)N3CCCCC3)CC2)C1 ZINC001254676224 1143309995 /nfs/dbraw/zinc/30/99/95/1143309995.db2.gz JEYMIEBEWFITBI-ZBFHGGJFSA-N 0 3 304.438 2.339 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCCN(C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254962406 1143375068 /nfs/dbraw/zinc/37/50/68/1143375068.db2.gz CTXSROLTOQZUMS-MELADBBJSA-N 0 3 306.406 2.121 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC001340620272 1143383922 /nfs/dbraw/zinc/38/39/22/1143383922.db2.gz IKGRCIOAWZYGQG-KRWDZBQOSA-N 0 3 312.417 2.231 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCCn1cnc2ccccc21 ZINC001340794254 1143443843 /nfs/dbraw/zinc/44/38/43/1143443843.db2.gz XYKNUDNECUZBOU-AWEZNQCLSA-N 0 3 300.406 2.226 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001340935590 1143498822 /nfs/dbraw/zinc/49/88/22/1143498822.db2.gz GMAYCWITXLXLEO-HOCLYGCPSA-N 0 3 302.374 2.088 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001341394255 1143594524 /nfs/dbraw/zinc/59/45/24/1143594524.db2.gz XXLFMLSVACTOAW-MPGHIAIKSA-N 0 3 322.449 2.356 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC001341462973 1143607181 /nfs/dbraw/zinc/60/71/81/1143607181.db2.gz JDWRKEPONVBIFZ-CABCVRRESA-N 0 3 310.438 2.156 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001341502304 1143616529 /nfs/dbraw/zinc/61/65/29/1143616529.db2.gz KTYRILDEHVZEFE-IRXDYDNUSA-N 0 3 324.465 2.247 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1nc2cc(F)ccc2n1C ZINC001341601078 1143635470 /nfs/dbraw/zinc/63/54/70/1143635470.db2.gz UFEAPXPWHAQUDQ-CYBMUJFWSA-N 0 3 318.396 2.055 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC001341620127 1143641926 /nfs/dbraw/zinc/64/19/26/1143641926.db2.gz UICAQQUMEFGVDT-LBPRGKRZSA-N 0 3 304.369 2.044 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001341793788 1143709279 /nfs/dbraw/zinc/70/92/79/1143709279.db2.gz BHYSNLZFCMJYFX-SRVKXCTJSA-N 0 3 308.344 2.286 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(OC)cn1 ZINC001342183107 1143801731 /nfs/dbraw/zinc/80/17/31/1143801731.db2.gz JFODJVLTCZBSRK-GDBMZVCRSA-N 0 3 303.406 2.437 20 30 DEEDHN N#Cc1ccc(C2CCC(N[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 ZINC001257010610 1143879797 /nfs/dbraw/zinc/87/97/97/1143879797.db2.gz DGYNBPHSBBYVJZ-OFLPRAFFSA-N 0 3 316.426 2.485 20 30 DEEDHN CCOC(=O)CC1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001258025180 1143967466 /nfs/dbraw/zinc/96/74/66/1143967466.db2.gz NWRSMVBJESBEGH-UHFFFAOYSA-N 0 3 307.369 2.438 20 30 DEEDHN C[C@@H](NC(=O)C#CC1CC1)C1CCN(Cc2cccnc2)CC1 ZINC001279079722 1143979677 /nfs/dbraw/zinc/97/96/77/1143979677.db2.gz 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/nfs/dbraw/zinc/45/61/64/1144456164.db2.gz GFHIWWTULITLOB-AWEZNQCLSA-N 0 3 308.447 2.141 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CC(=O)N(C)CC)CC(C)(C)C1 ZINC001264192892 1144502809 /nfs/dbraw/zinc/50/28/09/1144502809.db2.gz HZDWKHSCWNNHRS-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCN2CC[C@@H]2CCOC2)C1 ZINC001264370419 1144516774 /nfs/dbraw/zinc/51/67/74/1144516774.db2.gz CCIPVQMXVIQCPR-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN Cc1oncc1CN[C@@H]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001264461796 1144542326 /nfs/dbraw/zinc/54/23/26/1144542326.db2.gz GMQHEYQQGZMWFF-GOEBONIOSA-N 0 3 317.433 2.407 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cnccc1OC ZINC001264741795 1144603893 /nfs/dbraw/zinc/60/38/93/1144603893.db2.gz QVZGTOCFNMBBRH-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C#CCN(CCCNC(=O)C[C@H]1CCO[C@H](CC)C1)C1CC1 ZINC001265179492 1144661484 /nfs/dbraw/zinc/66/14/84/1144661484.db2.gz BLTXYRHITWVGRS-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001265265397 1144677183 /nfs/dbraw/zinc/67/71/83/1144677183.db2.gz XTEMSWHFCMSNMW-MSOLQXFVSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001265299957 1144687345 /nfs/dbraw/zinc/68/73/45/1144687345.db2.gz XFDXCWAGBZCOBE-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001265299957 1144687348 /nfs/dbraw/zinc/68/73/48/1144687348.db2.gz XFDXCWAGBZCOBE-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001265303979 1144688126 /nfs/dbraw/zinc/68/81/26/1144688126.db2.gz SMUJBLXQWJBYRG-GOEBONIOSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCCCC(=O)NC[C@H](NCc1ccc(F)cn1)C1CC1 ZINC001265352741 1144697487 /nfs/dbraw/zinc/69/74/87/1144697487.db2.gz WZLKSTSYBCJABD-INIZCTEOSA-N 0 3 303.381 2.009 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001265441722 1144704329 /nfs/dbraw/zinc/70/43/29/1144704329.db2.gz RFKDDYMRLNYDFX-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CC)Oc2cccc(C)c2)C1 ZINC001265449143 1144704730 /nfs/dbraw/zinc/70/47/30/1144704730.db2.gz AVPJKTCTOAGFPI-FUHWJXTLSA-N 0 3 314.429 2.366 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2c(C)onc2CC)C1 ZINC001265552904 1144711380 /nfs/dbraw/zinc/71/13/80/1144711380.db2.gz AEGSUNAZXQGGSV-GASCZTMLSA-N 0 3 317.433 2.476 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1CNCc1cn(C)nc1C ZINC001265668236 1144725293 /nfs/dbraw/zinc/72/52/93/1144725293.db2.gz ULYBZJZFXIDULU-QGZVFWFLSA-N 0 3 316.449 2.003 20 30 DEEDHN CC/C=C(\C)C(=O)N[C@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001265699684 1144730452 /nfs/dbraw/zinc/73/04/52/1144730452.db2.gz HVTFLKYLZWAVGE-PETGEZQVSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)NCc1ccccc1N(C)C ZINC001265769631 1144739480 /nfs/dbraw/zinc/73/94/80/1144739480.db2.gz ZFGHLALNCFGHKV-HNNXBMFYSA-N 0 3 301.434 2.150 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](CC)Oc1ccccc1C ZINC001265832986 1144745976 /nfs/dbraw/zinc/74/59/76/1144745976.db2.gz UTTHNLUCKSJBIA-HZPDHXFCSA-N 0 3 302.418 2.270 20 30 DEEDHN COc1ccc(C)cc1CN(C)CCCNC(=O)C#CC1CC1 ZINC001265842647 1144746544 /nfs/dbraw/zinc/74/65/44/1144746544.db2.gz DHSLXKVPTJQKGR-UHFFFAOYSA-N 0 3 314.429 2.355 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCN(CC)[C@H]1CCCN(C)C1=O ZINC001266045834 1144800046 /nfs/dbraw/zinc/80/00/46/1144800046.db2.gz NZEPKFOMEBQPID-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)cn3ccnc23)C1 ZINC001266106152 1144806058 /nfs/dbraw/zinc/80/60/58/1144806058.db2.gz ZGUZIVXKYUBWQE-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C=CCCC(=O)NCC[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC001266131461 1144808483 /nfs/dbraw/zinc/80/84/83/1144808483.db2.gz XCMBGOUWRWWDMW-CQSZACIVSA-N 0 3 304.438 2.170 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cc2c[nH]ccc-2n1)C1CC1 ZINC001266145220 1144809643 /nfs/dbraw/zinc/80/96/43/1144809643.db2.gz NGTQXIHAGUTOGY-UHFFFAOYSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001266197525 1144813132 /nfs/dbraw/zinc/81/31/32/1144813132.db2.gz KSJGNZIRJTWZAG-ZDUSSCGKSA-N 0 3 318.465 2.314 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001279146207 1144818926 /nfs/dbraw/zinc/81/89/26/1144818926.db2.gz ATZRCRUGRZBVQD-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)Cc3occc3C)CC2)CC1 ZINC001279368625 1144821317 /nfs/dbraw/zinc/82/13/17/1144821317.db2.gz ZDIMDSAXTMVKPU-UHFFFAOYSA-N 0 3 300.402 2.125 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CN(Cc3cnoc3C)C[C@H]2C1 ZINC001279388528 1144821836 /nfs/dbraw/zinc/82/18/36/1144821836.db2.gz NTBVYOOCTOWBHL-OIISXLGYSA-N 0 3 317.433 2.476 20 30 DEEDHN C#CCCCCC(=O)NCC1=CCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001279536927 1144824050 /nfs/dbraw/zinc/82/40/50/1144824050.db2.gz XMRUGWMRHVMPBU-AEFFLSMTSA-N 0 3 318.461 2.496 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCc1ccccc1CN(C)CC(=C)C ZINC001280324752 1144835836 /nfs/dbraw/zinc/83/58/36/1144835836.db2.gz LLOSZPIHPDHEOM-INIZCTEOSA-N 0 3 314.429 2.349 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001280449115 1144840299 /nfs/dbraw/zinc/84/02/99/1144840299.db2.gz KAESKHIHVOUAGY-LSDHHAIUSA-N 0 3 319.453 2.186 20 30 DEEDHN C#CCNC[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC001280460052 1144840858 /nfs/dbraw/zinc/84/08/58/1144840858.db2.gz XRYZHZZCELPOOU-CQSZACIVSA-N 0 3 324.380 2.011 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CCc2ccc(F)cc2)CC1 ZINC001280744901 1144852384 /nfs/dbraw/zinc/85/23/84/1144852384.db2.gz PNXPTHBONDTKSL-KRWDZBQOSA-N 0 3 302.393 2.362 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001280832654 1144858734 /nfs/dbraw/zinc/85/87/34/1144858734.db2.gz PKOCZIHHYWUJTF-UHFFFAOYSA-N 0 3 310.401 2.104 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)CCCNC(=O)[C@H](CC)N(C)C)C1 ZINC001280867716 1144860360 /nfs/dbraw/zinc/86/03/60/1144860360.db2.gz BEHRPARDLLBTGR-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001281042430 1144869938 /nfs/dbraw/zinc/86/99/38/1144869938.db2.gz TZRFWMYGCRXLBH-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H](OCC)C(=C)C)C2 ZINC001281088996 1144871402 /nfs/dbraw/zinc/87/14/02/1144871402.db2.gz XMJFHHGLSYLXCK-PKOBYXMFSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)CN(C)CCC ZINC001281498461 1144893349 /nfs/dbraw/zinc/89/33/49/1144893349.db2.gz SSOIYRFGLNJNQW-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H](OCC)C2CC2)C(C)(C)C1 ZINC001281557181 1144897065 /nfs/dbraw/zinc/89/70/65/1144897065.db2.gz NUPIMJCOEKMWBK-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2ccccc2CC)C[C@H]1C ZINC001281684121 1144907879 /nfs/dbraw/zinc/90/78/79/1144907879.db2.gz IYXLCXOJZJXCPS-NVXWUHKLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCOCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@@H]1C ZINC001281904927 1144919322 /nfs/dbraw/zinc/91/93/22/1144919322.db2.gz ASDCOSCWGKXYPQ-VIBAHUMZSA-N 0 3 314.429 2.217 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCn1cccc1 ZINC001282205062 1145012266 /nfs/dbraw/zinc/01/22/66/1145012266.db2.gz CCLCHMWYQBTLFP-MSOLQXFVSA-N 0 3 323.440 2.413 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001282677705 1145123647 /nfs/dbraw/zinc/12/36/47/1145123647.db2.gz FJRAAGINHDGZNC-OAHLLOKOSA-N 0 3 305.422 2.381 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCc2ccoc2)C(C)(C)C1 ZINC001282798570 1145166809 /nfs/dbraw/zinc/16/68/09/1145166809.db2.gz ZITNISVNHOUCQZ-INIZCTEOSA-N 0 3 320.433 2.241 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCC(F)F)C(C)(C)C1 ZINC001282812471 1145169925 /nfs/dbraw/zinc/16/99/25/1145169925.db2.gz NWNCLGALNWVOGG-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN O=C(CC1CC1)NC[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001316627452 1145463198 /nfs/dbraw/zinc/46/31/98/1145463198.db2.gz XMUUMCIQECCQMS-SAABIXHNSA-N 0 3 314.404 2.462 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccns1)NCC#Cc1ccccc1 ZINC001283618908 1145547775 /nfs/dbraw/zinc/54/77/75/1145547775.db2.gz MBDTWKFXCQGGBD-CQSZACIVSA-N 0 3 313.426 2.245 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cncc2sccc21 ZINC001283668114 1145570675 /nfs/dbraw/zinc/57/06/75/1145570675.db2.gz YNIIJOHURWSLTI-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@H]1CC12CC2)NCC#Cc1ccc(F)cc1 ZINC001283682200 1145579554 /nfs/dbraw/zinc/57/95/54/1145579554.db2.gz YVQMFBGIIDSVLY-WMLDXEAASA-N 0 3 314.404 2.414 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001283723277 1145618501 /nfs/dbraw/zinc/61/85/01/1145618501.db2.gz OMFAXTUSHZLBGX-LSDHHAIUSA-N 0 3 304.409 2.464 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCC2CCCC2)C1 ZINC001283944182 1145720978 /nfs/dbraw/zinc/72/09/78/1145720978.db2.gz DCSRBBBBZLTIAL-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C(C)(C)C1 ZINC001364978722 1145728911 /nfs/dbraw/zinc/72/89/11/1145728911.db2.gz 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C=C(Cl)CN[C@H](C)CCNC(=O)c1nn(C)c2ccccc12 ZINC001366507396 1147317286 /nfs/dbraw/zinc/31/72/86/1147317286.db2.gz KCQFVGMQGCCXMS-GFCCVEGCSA-N 0 3 320.824 2.424 20 30 DEEDHN CCCCOCCN1CC[C@H](NC(=O)C#CC2CC2)[C@H]1CC ZINC001316735129 1147361705 /nfs/dbraw/zinc/36/17/05/1147361705.db2.gz ZQQUCPLVSIUYFF-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCN(C)Cc1ccccc1)CC(=O)OC(C)(C)C ZINC001307910188 1147441112 /nfs/dbraw/zinc/44/11/12/1147441112.db2.gz VIHLVOLLPUFYHF-UHFFFAOYSA-N 0 3 316.445 2.395 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001366829105 1147584688 /nfs/dbraw/zinc/58/46/88/1147584688.db2.gz IOUPGLTXSJUCOA-BFHYXJOUSA-N 0 3 322.840 2.094 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001366829105 1147584690 /nfs/dbraw/zinc/58/46/90/1147584690.db2.gz IOUPGLTXSJUCOA-BFHYXJOUSA-N 0 3 322.840 2.094 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC(F)(F)F)C(C)(C)[C@H]21 ZINC001316718879 1147591042 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C#CCCCCC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cnc(C)cn2)C1 ZINC001317107910 1147660554 /nfs/dbraw/zinc/66/05/54/1147660554.db2.gz HNPDGCNDUDLPLU-HRCADAONSA-N 0 3 314.433 2.276 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cn(CC)nc1C)C1CC1 ZINC001367186874 1147661751 /nfs/dbraw/zinc/66/17/51/1147661751.db2.gz XFDLDNSQGJKIRW-MRXNPFEDSA-N 0 3 324.856 2.452 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](C)CNCc2ccccc2C#N)co1 ZINC001367243856 1147668576 /nfs/dbraw/zinc/66/85/76/1147668576.db2.gz LVYYXGAMQBSSPR-GFCCVEGCSA-N 0 3 312.373 2.010 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C(C)(C)F ZINC001367335722 1147680033 /nfs/dbraw/zinc/68/00/33/1147680033.db2.gz OSZKLQSQRNENHJ-LLVKDONJSA-N 0 3 309.360 2.382 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)NCc1cccc2c1OCCO2 ZINC001317231256 1147680272 /nfs/dbraw/zinc/68/02/72/1147680272.db2.gz YJOHOQKIGHAZTN-CYBMUJFWSA-N 0 3 304.390 2.018 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001317269402 1147684459 /nfs/dbraw/zinc/68/44/59/1147684459.db2.gz 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C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)Cc1ccco1 ZINC001367853709 1147761207 /nfs/dbraw/zinc/76/12/07/1147761207.db2.gz WXJXDWYPIJDLFT-CQSZACIVSA-N 0 3 311.385 2.330 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)nn2-c2ccccc2)CC1 ZINC001324874173 1147854790 /nfs/dbraw/zinc/85/47/90/1147854790.db2.gz VIQGHDGSDKKERH-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001324958772 1147861847 /nfs/dbraw/zinc/86/18/47/1147861847.db2.gz WOBBTIDEIKBEPU-QGZVFWFLSA-N 0 3 317.433 2.419 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2csc(C#N)c2)C[C@H](C)O1 ZINC001325181076 1147883208 /nfs/dbraw/zinc/88/32/08/1147883208.db2.gz QMEYZRLDFDUZQB-BETUJISGSA-N 0 3 321.446 2.239 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CCCOCC)C2)CC1 ZINC001325353204 1147895335 /nfs/dbraw/zinc/89/53/35/1147895335.db2.gz WVAVIOHUBVWLNM-GOSISDBHSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C1CCC(C(=O)N[C@]2(CO)CCCN(CCCF)C2)CC1 ZINC001325847670 1148007708 /nfs/dbraw/zinc/00/77/08/1148007708.db2.gz MKJXJKMMCLIHKO-QGZVFWFLSA-N 0 3 312.429 2.036 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1 ZINC001325873239 1148011984 /nfs/dbraw/zinc/01/19/84/1148011984.db2.gz FMAUZGCWRPKLBD-CVEARBPZSA-N 0 3 304.390 2.161 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CCn2cccc2)cc1 ZINC001326482502 1148109724 /nfs/dbraw/zinc/10/97/24/1148109724.db2.gz XINAXADKKPPBDI-INIZCTEOSA-N 0 3 309.413 2.478 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCn2cccc2)cc1 ZINC001326482505 1148109889 /nfs/dbraw/zinc/10/98/89/1148109889.db2.gz XINAXADKKPPBDI-MRXNPFEDSA-N 0 3 309.413 2.478 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)Cn1cncc1C)C1CCCC1 ZINC001368131359 1148261090 /nfs/dbraw/zinc/26/10/90/1148261090.db2.gz HREYQCKEOIYMPJ-OAHLLOKOSA-N 0 3 324.856 2.209 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)COc2cc(C)ccc2F)CC1 ZINC001327124400 1148331125 /nfs/dbraw/zinc/33/11/25/1148331125.db2.gz BAGBWYMJMXFUNA-HNNXBMFYSA-N 0 3 318.392 2.117 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cccc(F)c1C ZINC001327212139 1148348689 /nfs/dbraw/zinc/34/86/89/1148348689.db2.gz BTLUIVUNLKQIOD-UHFFFAOYSA-N 0 3 320.408 2.178 20 30 DEEDHN C=CCc1cc(CN[C@@H](COC)[C@@H]2CCCO2)cc(OC)c1O ZINC000278576011 214247975 /nfs/dbraw/zinc/24/79/75/214247975.db2.gz FFPXCDUIZKAFPY-HOTGVXAUSA-N 0 3 321.417 2.413 20 30 DEEDHN N#Cc1ccc(N2CCC[C@@H](NC[C@@H]3CCSC3)C2=O)cc1 ZINC000278775627 214392012 /nfs/dbraw/zinc/39/20/12/214392012.db2.gz PDDPTEWYWOMBOB-GOEBONIOSA-N 0 3 315.442 2.396 20 30 DEEDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000278866243 214456111 /nfs/dbraw/zinc/45/61/11/214456111.db2.gz YVMWYPVFHRAQFU-LBPRGKRZSA-N 0 3 320.824 2.296 20 30 DEEDHN CC(C)c1nnc(CNC(=O)NC2CCN(C3CC3)CC2)s1 ZINC000329838906 404467303 /nfs/dbraw/zinc/46/73/03/404467303.db2.gz NNQQPEWXQGMIFW-UHFFFAOYSA-N 0 3 323.466 2.292 20 30 DEEDHN CCc1ccc(NC(=O)NCC2(O)CCN(C)CC2)cc1C ZINC000330597222 529662645 /nfs/dbraw/zinc/66/26/45/529662645.db2.gz DPBFECZLWFYOSB-UHFFFAOYSA-N 0 3 305.422 2.340 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@H](C(=O)OC)C2)cc1 ZINC000092643835 185331159 /nfs/dbraw/zinc/33/11/59/185331159.db2.gz PQFVKCFDJOOKGZ-INIZCTEOSA-N 0 3 301.386 2.474 20 30 DEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)[nH]1 ZINC000433372044 529955064 /nfs/dbraw/zinc/95/50/64/529955064.db2.gz GJGLJWDRWPNIDJ-YOEHRIQHSA-N 0 3 323.400 2.046 20 30 DEEDHN CCOC(=O)N[C@@H](CNCc1cc(C#N)n(C)c1)CC(C)C ZINC000190733047 282325458 /nfs/dbraw/zinc/32/54/58/282325458.db2.gz CLMUVXMJWSCBCK-CQSZACIVSA-N 0 3 306.410 2.147 20 30 DEEDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)nc1 ZINC000302443074 529958292 /nfs/dbraw/zinc/95/82/92/529958292.db2.gz NLWBAGXNHUPLMR-IBGZPJMESA-N 0 3 322.412 2.026 20 30 DEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C#N)cn1 ZINC000245899252 282410921 /nfs/dbraw/zinc/41/09/21/282410921.db2.gz FOZOVHLWIKXJJZ-MCIONIFRSA-N 0 3 300.406 2.049 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001421875463 1172077719 /nfs/dbraw/zinc/07/77/19/1172077719.db2.gz UFYDBMMJTOCUID-NWDGAFQWSA-N 0 3 323.824 2.445 20 30 DEEDHN Cc1cccc(C)c1OCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329307921 539917675 /nfs/dbraw/zinc/91/76/75/539917675.db2.gz PVYCQPIMAOVIBN-OAHLLOKOSA-N 0 3 317.433 2.423 20 30 DEEDHN CCS[C@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)CCC#N)C1 ZINC000072837594 191236640 /nfs/dbraw/zinc/23/66/40/191236640.db2.gz LCSVRLCPQWAHAW-CABCVRRESA-N 0 3 322.478 2.248 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000329476947 539921750 /nfs/dbraw/zinc/92/17/50/539921750.db2.gz UHLDLTSGBWPMJT-GXTWGEPZSA-N 0 3 316.405 2.403 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCCc1ccc(C#N)cc1 ZINC000595552904 358481573 /nfs/dbraw/zinc/48/15/73/358481573.db2.gz SIGBZZMNVADOKQ-HNNXBMFYSA-N 0 3 314.433 2.274 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)COc2ccc(C#N)cc2)c1 ZINC000033083863 354156351 /nfs/dbraw/zinc/15/63/51/354156351.db2.gz HCCOLQQDWAHFKT-UHFFFAOYSA-N 0 3 323.396 2.315 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCn2ccc3ccccc32)CC1 ZINC000057139278 354558146 /nfs/dbraw/zinc/55/81/46/354558146.db2.gz WRZBFPRUAHXADB-UHFFFAOYSA-N 0 3 323.440 2.493 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1C#N ZINC000067270786 354755420 /nfs/dbraw/zinc/75/54/20/354755420.db2.gz GCPDZWMWLBJGRB-ZDUSSCGKSA-N 0 3 300.406 2.112 20 30 DEEDHN CCC1(O)CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000072724338 354917327 /nfs/dbraw/zinc/91/73/27/354917327.db2.gz ASWHWGIZDUPSMK-UHFFFAOYSA-N 0 3 301.390 2.124 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074495346 355033655 /nfs/dbraw/zinc/03/36/55/355033655.db2.gz WDGZKSFWIWWWFE-BBRMVZONSA-N 0 3 300.406 2.403 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000276980660 213217163 /nfs/dbraw/zinc/21/71/63/213217163.db2.gz HCJLSOQIESIALW-GOSISDBHSA-N 0 3 314.429 2.197 20 30 DEEDHN CC(C)[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCS1 ZINC000076065135 355122571 /nfs/dbraw/zinc/12/25/71/355122571.db2.gz SLFFZAFDZTYEPX-RDJZCZTQSA-N 0 3 320.458 2.371 20 30 DEEDHN CCN(CC(=O)NCC#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000076071738 355123257 /nfs/dbraw/zinc/12/32/57/355123257.db2.gz IWKJZUGAIHGRRC-MRXNPFEDSA-N 0 3 305.397 2.354 20 30 DEEDHN CN(CCOc1cccc(C#N)c1)[C@@H](CO)Cc1ccccc1 ZINC000595597513 358496361 /nfs/dbraw/zinc/49/63/61/358496361.db2.gz QMXVXTFVVLQUBB-GOSISDBHSA-N 0 3 310.397 2.472 20 30 DEEDHN N#Cc1cc(NC(=O)N[C@H]2CCN(CC3CC3)C2)ccc1F ZINC000108514801 355736100 /nfs/dbraw/zinc/73/61/00/355736100.db2.gz QUZUWCBGZZTTMG-AWEZNQCLSA-N 0 3 302.353 2.303 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CN1C1CC1 ZINC000408422118 291075571 /nfs/dbraw/zinc/07/55/71/291075571.db2.gz DYGBPNBJZPTIQX-VXGQWTEUSA-N 0 3 304.438 2.241 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000127220687 355820906 /nfs/dbraw/zinc/82/09/06/355820906.db2.gz QNZPDZONYYMCGO-RISCZKNCSA-N 0 3 316.380 2.122 20 30 DEEDHN CCCCN(CCCO)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000182142747 356112117 /nfs/dbraw/zinc/11/21/17/356112117.db2.gz XCIVTISSOLVWNV-UHFFFAOYSA-N 0 3 309.454 2.156 20 30 DEEDHN C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000315420856 356423422 /nfs/dbraw/zinc/42/34/22/356423422.db2.gz INVLVQXENSMEGT-GFCCVEGCSA-N 0 3 315.398 2.056 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618351934 363469476 /nfs/dbraw/zinc/46/94/76/363469476.db2.gz CRUGQAASCCKVIH-IEBWSBKVSA-N 0 3 316.445 2.089 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCSC2)cc1 ZINC000384099014 356682075 /nfs/dbraw/zinc/68/20/75/356682075.db2.gz DQSVYNNEYHAJGZ-CQSZACIVSA-N 0 3 324.471 2.065 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC3(CC3(F)F)CC2)cc1 ZINC000404726398 356733992 /nfs/dbraw/zinc/73/39/92/356733992.db2.gz YXXOYXBLQYKVGQ-CQSZACIVSA-N 0 3 322.355 2.419 20 30 DEEDHN C=CCOc1ccc(/C=C/C(=O)N2CCCNCC2)cc1OC ZINC000237162860 202172195 /nfs/dbraw/zinc/17/21/95/202172195.db2.gz ACJKQFFGRDUFRJ-SOFGYWHQSA-N 0 3 316.401 2.095 20 30 DEEDHN C[C@H](CNC(=O)NCC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000578947293 356893692 /nfs/dbraw/zinc/89/36/92/356893692.db2.gz WTWXCZJPVWZALZ-CQSZACIVSA-N 0 3 300.406 2.110 20 30 DEEDHN C=CCc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc(OC)c1OC ZINC000237248076 202204264 /nfs/dbraw/zinc/20/42/64/202204264.db2.gz RCEOOLAUSFKBKE-STQMWFEESA-N 0 3 318.417 2.255 20 30 DEEDHN C[C@H](NC(=O)NCC1(C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000579748038 357027243 /nfs/dbraw/zinc/02/72/43/357027243.db2.gz LFFYRETVCFADOD-ZFWWWQNUSA-N 0 3 300.406 2.281 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc(C)no1)C(C)C ZINC000579845866 357042457 /nfs/dbraw/zinc/04/24/57/357042457.db2.gz ILGOLUKLCFITPP-MRXNPFEDSA-N 0 3 305.422 2.340 20 30 DEEDHN CC(C)O[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000580894501 357097908 /nfs/dbraw/zinc/09/79/08/357097908.db2.gz IDNMICYYFBLRRB-DLBZAZTESA-N 0 3 311.385 2.266 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(F)cc3C#N)[C@H]2C1 ZINC000588978471 357438247 /nfs/dbraw/zinc/43/82/47/357438247.db2.gz UFOYFBDTBDWQOP-JCGIZDLHSA-N 0 3 315.392 2.434 20 30 DEEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589236445 357457224 /nfs/dbraw/zinc/45/72/24/357457224.db2.gz XOMPSPQJSNLEFK-CQSZACIVSA-N 0 3 323.462 2.151 20 30 DEEDHN C[C@@H](CNC(=O)c1cccc(C#N)n1)N(C)Cc1ccccc1 ZINC000589408845 357468033 /nfs/dbraw/zinc/46/80/33/357468033.db2.gz GGQKBVXPLUQNHB-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cccc(C#N)n2)c1 ZINC000589453216 357470681 /nfs/dbraw/zinc/47/06/81/357470681.db2.gz ARVGBQCSFJDIQK-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)n2)CN1Cc1ccccc1 ZINC000589449743 357470718 /nfs/dbraw/zinc/47/07/18/357470718.db2.gz TUVKQLBVVXSTIZ-RHSMWYFYSA-N 0 3 320.396 2.346 20 30 DEEDHN Cc1nc(Nc2cnn(CCN(C)C)c2)c(Cl)cc1C#N ZINC000589685919 357489802 /nfs/dbraw/zinc/48/98/02/357489802.db2.gz VIQQKDMQXASXOJ-UHFFFAOYSA-N 0 3 304.785 2.417 20 30 DEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1(CO)CCC1 ZINC000590019406 357513363 /nfs/dbraw/zinc/51/33/63/357513363.db2.gz IUFRVKFDEHMOKY-UHFFFAOYSA-N 0 3 310.401 2.306 20 30 DEEDHN CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@](F)(C#N)C2)cc1 ZINC000591359312 357714079 /nfs/dbraw/zinc/71/40/79/357714079.db2.gz PMRYNRWGARECAO-NVXWUHKLSA-N 0 3 318.396 2.457 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000455438109 295952011 /nfs/dbraw/zinc/95/20/11/295952011.db2.gz XQTIMHPSLCVUOC-UAGQMJEPSA-N 0 3 314.433 2.418 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CCO)CC(C)(C)C)CC1 ZINC000592530701 357897468 /nfs/dbraw/zinc/89/74/68/357897468.db2.gz WCEDOANLPAQUQK-UHFFFAOYSA-N 0 3 311.470 2.077 20 30 DEEDHN C#CCCCCC(=O)NCc1ccccc1OCCN(C)C ZINC000179891634 199092412 /nfs/dbraw/zinc/09/24/12/199092412.db2.gz UCYQGNPUMGWIAC-UHFFFAOYSA-N 0 3 302.418 2.437 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000593413774 358072282 /nfs/dbraw/zinc/07/22/82/358072282.db2.gz BFLUBUYYJCOFCU-UHFFFAOYSA-N 0 3 318.396 2.325 20 30 DEEDHN N#CCCn1cc(CN[C@H](CO)CCF)c(-c2ccccc2)n1 ZINC000593687489 358123256 /nfs/dbraw/zinc/12/32/56/358123256.db2.gz DGKKXXZXFPCYAT-INIZCTEOSA-N 0 3 316.380 2.274 20 30 DEEDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594004196 358187954 /nfs/dbraw/zinc/18/79/54/358187954.db2.gz XJBSSRWPWLQCEW-WPMQWBBHSA-N 0 3 321.465 2.055 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000594038069 358193674 /nfs/dbraw/zinc/19/36/74/358193674.db2.gz GWKDWVPREYDREK-BEFAXECRSA-N 0 3 311.429 2.291 20 30 DEEDHN N#Cc1cccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594209518 358224037 /nfs/dbraw/zinc/22/40/37/358224037.db2.gz QVHXZJZKTRNTFE-IAGOWNOFSA-N 0 3 312.417 2.374 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000594433597 358268447 /nfs/dbraw/zinc/26/84/47/358268447.db2.gz PONBFXHPFJQYPQ-KGLIPLIRSA-N 0 3 317.389 2.204 20 30 DEEDHN C[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)N(C)C1CC1 ZINC000618810717 363609192 /nfs/dbraw/zinc/60/91/92/363609192.db2.gz DZMQZRVWUQBLTM-PXAZEXFGSA-N 0 3 312.417 2.327 20 30 DEEDHN C=CCCSCCN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000595061039 358385193 /nfs/dbraw/zinc/38/51/93/358385193.db2.gz XINSJGRMOUFUDV-LBPRGKRZSA-N 0 3 314.476 2.294 20 30 DEEDHN CCN(CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618810155 363609098 /nfs/dbraw/zinc/60/90/98/363609098.db2.gz SXMMNBCLKJWZSB-QGZVFWFLSA-N 0 3 312.417 2.329 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000595808148 358553119 /nfs/dbraw/zinc/55/31/19/358553119.db2.gz UAHFLHLOSBJQIW-NVXWUHKLSA-N 0 3 312.417 2.329 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1cc(C#N)cnn1 ZINC000596157961 358625489 /nfs/dbraw/zinc/62/54/89/358625489.db2.gz KUAJOHXQMCPLIY-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC1(C#N)CCCCC1 ZINC000597159591 358838788 /nfs/dbraw/zinc/83/87/88/358838788.db2.gz PJEHWUZKGYVGKB-INIZCTEOSA-N 0 3 321.465 2.420 20 30 DEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(F)c(C#N)c1)C2 ZINC000597709710 358984242 /nfs/dbraw/zinc/98/42/42/358984242.db2.gz ACQVOKKRVBKHSN-KRWDZBQOSA-N 0 3 301.365 2.255 20 30 DEEDHN CCN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CCN(CC)C1 ZINC000598041341 359074260 /nfs/dbraw/zinc/07/42/60/359074260.db2.gz SZHJYXDBWKXITI-AWEZNQCLSA-N 0 3 303.381 2.183 20 30 DEEDHN COc1cc2c(cc1CNC[C@H](O)CC(C)(C)C#N)O[C@H](C)C2 ZINC000598725350 359306866 /nfs/dbraw/zinc/30/68/66/359306866.db2.gz OEDGKYASUTUXMN-IUODEOHRSA-N 0 3 318.417 2.409 20 30 DEEDHN C=CCCOCCNCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598635262 359270023 /nfs/dbraw/zinc/27/00/23/359270023.db2.gz CIUVTYLGGHPSSH-UHFFFAOYSA-N 0 3 306.406 2.293 20 30 DEEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1CO ZINC000598909769 359354953 /nfs/dbraw/zinc/35/49/53/359354953.db2.gz NKFLJIBVUAIFGJ-HYVNUMGLSA-N 0 3 300.402 2.236 20 30 DEEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1CO ZINC000598909770 359355202 /nfs/dbraw/zinc/35/52/02/359355202.db2.gz NKFLJIBVUAIFGJ-OIISXLGYSA-N 0 3 300.402 2.236 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCSC[C@H]1C1CC1 ZINC000599432795 359495628 /nfs/dbraw/zinc/49/56/28/359495628.db2.gz DDVSZBMGKJGTAO-CVEARBPZSA-N 0 3 318.442 2.125 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000599618622 359544580 /nfs/dbraw/zinc/54/45/80/359544580.db2.gz QGOSUPKULYFVJS-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2-c2ccon2)CC1 ZINC000668370486 540656173 /nfs/dbraw/zinc/65/61/73/540656173.db2.gz YIMHKIHFVBNUFJ-UHFFFAOYSA-N 0 3 316.361 2.100 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC(C2CCCC2)C1 ZINC000601955670 360207483 /nfs/dbraw/zinc/20/74/83/360207483.db2.gz AGTFPHNUSGRSSI-KRWDZBQOSA-N 0 3 300.402 2.420 20 30 DEEDHN C[C@H](CCC#N)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602471624 360389708 /nfs/dbraw/zinc/38/97/08/360389708.db2.gz FISLIUIGRJVHGN-OLZOCXBDSA-N 0 3 303.366 2.416 20 30 DEEDHN COc1ccc(CN(CCO)C[C@@H](C)CCC#N)c(OC)c1 ZINC000602471150 360390045 /nfs/dbraw/zinc/39/00/45/360390045.db2.gz GZLIFKUYZUDBQA-AWEZNQCLSA-N 0 3 306.406 2.438 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)C2)cc1 ZINC000602406511 360359685 /nfs/dbraw/zinc/35/96/85/360359685.db2.gz RIIZBCUOHGLLCL-DOTOQJQBSA-N 0 3 314.433 2.370 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000602572089 360438216 /nfs/dbraw/zinc/43/82/16/360438216.db2.gz JWPNGYUWVUTQHY-VIFPVBQESA-N 0 3 305.325 2.404 20 30 DEEDHN N#Cc1cccc(CNC[C@H](c2ccccc2)N2CCOCC2)n1 ZINC000602511539 360411210 /nfs/dbraw/zinc/41/12/10/360411210.db2.gz NYCPNPOQUZWWQF-LJQANCHMSA-N 0 3 322.412 2.116 20 30 DEEDHN CC(C)CN1CCO[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602512231 360411444 /nfs/dbraw/zinc/41/14/44/360411444.db2.gz YAQNHAMWRFGJCC-SJORKVTESA-N 0 3 323.481 2.032 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(C#N)n1 ZINC000602659867 360480956 /nfs/dbraw/zinc/48/09/56/360480956.db2.gz UWCWKZOUZYGYKV-UHFFFAOYSA-N 0 3 319.412 2.389 20 30 DEEDHN C[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS1 ZINC000602628432 360465590 /nfs/dbraw/zinc/46/55/90/360465590.db2.gz ASNKWEWVIWHHAZ-KCXAZCMYSA-N 0 3 315.442 2.143 20 30 DEEDHN C[C@H]1OCC[C@@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000602759200 360538583 /nfs/dbraw/zinc/53/85/83/360538583.db2.gz QASNNZSRLPKYKW-ZIAGYGMSSA-N 0 3 303.381 2.244 20 30 DEEDHN C[C@@H]1CCCC[C@@H]1OCCNCc1cnc2c(C#N)cnn2c1 ZINC000609006680 361276282 /nfs/dbraw/zinc/27/62/82/361276282.db2.gz QGWCQEPVJVDXJY-CJNGLKHVSA-N 0 3 313.405 2.286 20 30 DEEDHN C[C@H](CC#N)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000609143001 361284173 /nfs/dbraw/zinc/28/41/73/361284173.db2.gz BBRBRFWNKNYINL-ZBFHGGJFSA-N 0 3 300.406 2.054 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCc3ccccc3C2)C(N)=O)cc1 ZINC000609768667 361338519 /nfs/dbraw/zinc/33/85/19/361338519.db2.gz GZYNOALXBAJEAR-BEFAXECRSA-N 0 3 319.408 2.479 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)CN(C)C1CCC1 ZINC000610392461 361393383 /nfs/dbraw/zinc/39/33/83/361393383.db2.gz VGJNLNKECBGRAE-UHFFFAOYSA-N 0 3 315.417 2.018 20 30 DEEDHN CC(C)[C@H](NCCOc1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000611395095 361590988 /nfs/dbraw/zinc/59/09/88/361590988.db2.gz BACALBQDEJWTJV-KRWDZBQOSA-N 0 3 315.417 2.174 20 30 DEEDHN Cc1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)n[nH]1 ZINC000611498072 361613685 /nfs/dbraw/zinc/61/36/85/361613685.db2.gz DNHFVZIZCFLXKA-UHFFFAOYSA-N 0 3 306.373 2.280 20 30 DEEDHN C=CCN1CCC(NC(=O)C(F)(F)c2ncccc2C)CC1 ZINC000194581226 201255818 /nfs/dbraw/zinc/25/58/18/201255818.db2.gz DINPICGHKRUOEC-UHFFFAOYSA-N 0 3 309.360 2.248 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000611623241 361648270 /nfs/dbraw/zinc/64/82/70/361648270.db2.gz RGDRVXOGSPZJFR-RDJZCZTQSA-N 0 3 314.433 2.357 20 30 DEEDHN C=C[C@H](O)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000611841416 361692637 /nfs/dbraw/zinc/69/26/37/361692637.db2.gz YGFHMSFTGBTZPJ-PKOBYXMFSA-N 0 3 314.429 2.048 20 30 DEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN(C)C1CCC1 ZINC000629991534 367424789 /nfs/dbraw/zinc/42/47/89/367424789.db2.gz FHVLSZATGXGQGS-UHFFFAOYSA-N 0 3 306.406 2.161 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2-c2ccco2)CC1 ZINC000630942884 367924417 /nfs/dbraw/zinc/92/44/17/367924417.db2.gz NGLWPUUZHIHJCG-UHFFFAOYSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000451609847 243203553 /nfs/dbraw/zinc/20/35/53/243203553.db2.gz WMXHYZJZFQGVBZ-GUTXKFCHSA-N 0 3 304.390 2.264 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000275154333 212156618 /nfs/dbraw/zinc/15/66/18/212156618.db2.gz SODCMOSWKUZADQ-HZPDHXFCSA-N 0 3 315.442 2.210 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(O)(CC)CC2)CC1 ZINC000678502873 541738002 /nfs/dbraw/zinc/73/80/02/541738002.db2.gz BZRYYOQCGFHEKD-UHFFFAOYSA-N 0 3 323.481 2.410 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)cc1 ZINC000274961525 212045323 /nfs/dbraw/zinc/04/53/23/212045323.db2.gz UQFAHZJHEVOYMW-KURKYZTESA-N 0 3 303.402 2.371 20 30 DEEDHN C=CC[C@H](C)[C@H](C)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000453277433 245046632 /nfs/dbraw/zinc/04/66/32/245046632.db2.gz JLYNVBQHLALYSX-DGCWBMGLSA-N 0 3 315.479 2.363 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453424262 245131580 /nfs/dbraw/zinc/13/15/80/245131580.db2.gz IFVUQHWQTFTHIB-CABCVRRESA-N 0 3 319.453 2.235 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](COC)C1)C(C)C ZINC000265966724 205005228 /nfs/dbraw/zinc/00/52/28/205005228.db2.gz SMQYNKHRFOUTAY-SJORKVTESA-N 0 3 323.481 2.363 20 30 DEEDHN CC#CCN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000457788600 248012562 /nfs/dbraw/zinc/01/25/62/248012562.db2.gz CUCKNAPMLJVACI-UHFFFAOYSA-N 0 3 309.479 2.013 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cccc(CO)c2)CC1 ZINC000492131583 249003963 /nfs/dbraw/zinc/00/39/63/249003963.db2.gz LBSOYILHWFGAGK-VOTSOKGWSA-N 0 3 314.429 2.349 20 30 DEEDHN C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)CN(C)C)cc1OC ZINC000492835042 249150671 /nfs/dbraw/zinc/15/06/71/249150671.db2.gz GJYFTHRJSOERQR-GDAGCXPBSA-N 0 3 318.417 2.340 20 30 DEEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492931788 249176398 /nfs/dbraw/zinc/17/63/98/249176398.db2.gz RBZDCDWTFSIBHK-OLZOCXBDSA-N 0 3 309.410 2.394 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(F)cc2)CC1 ZINC000106040611 194181536 /nfs/dbraw/zinc/18/15/36/194181536.db2.gz LLAWPIAJZIIACD-UHFFFAOYSA-N 0 3 306.381 2.361 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CCOC)CC(C)C)CC1 ZINC000106341105 194198404 /nfs/dbraw/zinc/19/84/04/194198404.db2.gz WGSZGQZLMVMNDH-UHFFFAOYSA-N 0 3 311.470 2.341 20 30 DEEDHN C=CCCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268868382 207037630 /nfs/dbraw/zinc/03/76/30/207037630.db2.gz OOHHPSKAROPFJT-DOTOQJQBSA-N 0 3 322.474 2.393 20 30 DEEDHN CN(CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCCO1 ZINC000057379210 184036102 /nfs/dbraw/zinc/03/61/02/184036102.db2.gz TUHRCISPHJYTSW-HNNXBMFYSA-N 0 3 301.390 2.388 20 30 DEEDHN C=CCN1CCC(Nc2ccc3nnc(C(F)F)n3n2)CC1 ZINC000269014425 207167432 /nfs/dbraw/zinc/16/74/32/207167432.db2.gz BKDFMQYLUJBERR-UHFFFAOYSA-N 0 3 308.336 2.124 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2coc(C(F)(F)F)n2)CC1 ZINC000682839450 542362769 /nfs/dbraw/zinc/36/27/69/542362769.db2.gz USLATSKVXGJHLJ-UHFFFAOYSA-N 0 3 317.311 2.464 20 30 DEEDHN CN(C)[C@]1(CNc2nc3ccccn3c2C#N)CCSC1 ZINC000272938531 210324670 /nfs/dbraw/zinc/32/46/70/210324670.db2.gz UVALCPCUJPWNTL-HNNXBMFYSA-N 0 3 301.419 2.055 20 30 DEEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1OCCO ZINC000339066253 533130747 /nfs/dbraw/zinc/13/07/47/533130747.db2.gz GFLLYLJOVQOTJZ-KCQAQPDRSA-N 0 3 304.390 2.409 20 30 DEEDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245723954 533140634 /nfs/dbraw/zinc/14/06/34/533140634.db2.gz IKXGPEJFGWWOFJ-DYVFJYSZSA-N 0 3 302.374 2.362 20 30 DEEDHN CC(=O)N1CC[C@@H](CN(C)CC#Cc2cccc(Cl)c2)C1 ZINC000156612401 197127139 /nfs/dbraw/zinc/12/71/39/197127139.db2.gz URPYUQBDHBIVES-INIZCTEOSA-N 0 3 304.821 2.492 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000490984823 533148996 /nfs/dbraw/zinc/14/89/96/533148996.db2.gz IKXAZTUJDGLBOE-BEFAXECRSA-N 0 3 320.477 2.025 20 30 DEEDHN Cc1cc(NC(=O)N(C)C[C@H](C)C#N)n(C2CCN(C)CC2)n1 ZINC000431118359 291950675 /nfs/dbraw/zinc/95/06/75/291950675.db2.gz MWZIUOIIEHNEQH-GFCCVEGCSA-N 0 3 318.425 2.082 20 30 DEEDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000295817823 533375047 /nfs/dbraw/zinc/37/50/47/533375047.db2.gz BTAKLKNUNIPQBX-RHSMWYFYSA-N 0 3 301.390 2.290 20 30 DEEDHN CCC1(NCc2coc(C)n2)CCN(C(=O)C#CC2CC2)CC1 ZINC001327448455 1148557997 /nfs/dbraw/zinc/55/79/97/1148557997.db2.gz BOLUNUPAQGQMFZ-UHFFFAOYSA-N 0 3 315.417 2.257 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCCOC1 ZINC000355345910 133019682 /nfs/dbraw/zinc/01/96/82/133019682.db2.gz NIQMBBHZQKOABG-IPYPFGDCSA-N 0 3 301.390 2.290 20 30 DEEDHN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCCOC1 ZINC000355345981 133019904 /nfs/dbraw/zinc/01/99/04/133019904.db2.gz NKEKTHMFRUXPDU-YUTCNCBUSA-N 0 3 319.430 2.130 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)c2cnccc2C#N)CCN1Cc1ccccc1 ZINC000359847254 133148664 /nfs/dbraw/zinc/14/86/64/133148664.db2.gz WVJLFZYJCNPFSK-KSSFIOAISA-N 0 3 320.396 2.346 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCO[C@H]2C2CC2)cc1Cl ZINC000372805764 133366474 /nfs/dbraw/zinc/36/64/74/133366474.db2.gz HRCMYZHDKZIEOH-HOCLYGCPSA-N 0 3 319.792 2.307 20 30 DEEDHN N#Cc1ccc2nc(N3CCN([C@@H]4CCC[C@H]4O)CC3)ccc2c1 ZINC000373166453 133380380 /nfs/dbraw/zinc/38/03/80/133380380.db2.gz TVWHXDOHOZWNJP-QZTJIDSGSA-N 0 3 322.412 2.142 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000352585290 404474379 /nfs/dbraw/zinc/47/43/79/404474379.db2.gz CIPKEDZBLGRVDK-AWEZNQCLSA-N 0 3 323.462 2.098 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cnn1C ZINC000329891082 404484962 /nfs/dbraw/zinc/48/49/62/404484962.db2.gz HHWIUSUUYHLDSH-AEIGPULVSA-N 0 3 320.437 2.245 20 30 DEEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2cncn2)cc1 ZINC000190694111 145046155 /nfs/dbraw/zinc/04/61/55/145046155.db2.gz XBIPLHFUIPPHMZ-ZDUSSCGKSA-N 0 3 306.373 2.328 20 30 DEEDHN N#Cc1ccnc(NC[C@@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000261614536 145210537 /nfs/dbraw/zinc/21/05/37/145210537.db2.gz BKBGPHFOGWGKNI-AWEZNQCLSA-N 0 3 309.329 2.160 20 30 DEEDHN N#Cc1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000336693594 145396577 /nfs/dbraw/zinc/39/65/77/145396577.db2.gz HXMNSJQFHLXITG-IBGZPJMESA-N 0 3 319.408 2.491 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000359106949 147262789 /nfs/dbraw/zinc/26/27/89/147262789.db2.gz ORHMMGFKSQVAET-CZUORRHYSA-N 0 3 308.385 2.452 20 30 DEEDHN N#Cc1cnc(CN2CCC[C@@]3(C2)OCc2ccccc23)nc1 ZINC000565647829 292175132 /nfs/dbraw/zinc/17/51/32/292175132.db2.gz ZXZBDBMOMNSYPY-SFHVURJKSA-N 0 3 306.369 2.370 20 30 DEEDHN CC[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nccn1C ZINC000375526760 148382483 /nfs/dbraw/zinc/38/24/83/148382483.db2.gz WUKNWOZYFGFFSN-INIZCTEOSA-N 0 3 324.432 2.396 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)NCCn1cccn1 ZINC000112547931 401748981 /nfs/dbraw/zinc/74/89/81/401748981.db2.gz VGFUUMIMKVFJMO-AWEZNQCLSA-N 0 3 318.446 2.138 20 30 DEEDHN COc1ccc(C(C)(C)CN[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112537507 401748209 /nfs/dbraw/zinc/74/82/09/401748209.db2.gz LFMNNMJLWONPAW-CQSZACIVSA-N 0 3 317.433 2.323 20 30 DEEDHN CN(C)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000112601374 401750578 /nfs/dbraw/zinc/75/05/78/401750578.db2.gz YPUOIEMMUOBYFC-AWEZNQCLSA-N 0 3 320.824 2.176 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115443984 401828443 /nfs/dbraw/zinc/82/84/43/401828443.db2.gz GEHFOXHYPZDNGP-ZBFHGGJFSA-N 0 3 315.417 2.126 20 30 DEEDHN CC[C@@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135237875 401931370 /nfs/dbraw/zinc/93/13/70/401931370.db2.gz ANOCPBDMWVSHIZ-QGZVFWFLSA-N 0 3 315.461 2.376 20 30 DEEDHN COc1cc(OC)cc([C@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000118450547 401899326 /nfs/dbraw/zinc/89/93/26/401899326.db2.gz IIUVAJUNFDGIJY-GOSISDBHSA-N 0 3 312.369 2.399 20 30 DEEDHN CC#CCNC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000134997453 401923151 /nfs/dbraw/zinc/92/31/51/401923151.db2.gz LMCDNDBVGCBSRT-KRWDZBQOSA-N 0 3 317.433 2.401 20 30 DEEDHN CC#CCNC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000134997476 401923455 /nfs/dbraw/zinc/92/34/55/401923455.db2.gz LMCDNDBVGCBSRT-QGZVFWFLSA-N 0 3 317.433 2.401 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc([C@@H]3CCCO3)s2)CC1 ZINC000089819920 401966510 /nfs/dbraw/zinc/96/65/10/401966510.db2.gz YQCHANGFDRJWBJ-ZDUSSCGKSA-N 0 3 321.446 2.375 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)NCC)C2)cc1 ZINC000090411877 401982046 /nfs/dbraw/zinc/98/20/46/401982046.db2.gz GFGRLPHBXXPTCC-GDBMZVCRSA-N 0 3 315.417 2.153 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCCNC2=O)CC1 ZINC000135441333 401939684 /nfs/dbraw/zinc/93/96/84/401939684.db2.gz TZWWILQZFWVLEV-CQSZACIVSA-N 0 3 312.417 2.499 20 30 DEEDHN C=CCN(C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000121289777 402025893 /nfs/dbraw/zinc/02/58/93/402025893.db2.gz IMDXNKHKUIBHIS-UHFFFAOYSA-N 0 3 315.461 2.147 20 30 DEEDHN CC1CCC(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC1 ZINC000151850028 402060931 /nfs/dbraw/zinc/06/09/31/402060931.db2.gz LSDYLSCOBBBOBS-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN CC1CCN(CCNC(=O)NCc2cccc(C#N)c2)CC1 ZINC000048977940 402010054 /nfs/dbraw/zinc/01/00/54/402010054.db2.gz BYFIBKZHXSIVRQ-UHFFFAOYSA-N 0 3 300.406 2.089 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000068164634 402185939 /nfs/dbraw/zinc/18/59/39/402185939.db2.gz HILPDIOWBWOEIT-MRXNPFEDSA-N 0 3 316.376 2.111 20 30 DEEDHN C=CCOc1ccccc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000106380284 402213248 /nfs/dbraw/zinc/21/32/48/402213248.db2.gz FZCGEHBPHOKVQF-QGZVFWFLSA-N 0 3 302.418 2.204 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](CC)c1cccc(Cl)c1 ZINC000125276675 402222857 /nfs/dbraw/zinc/22/28/57/402222857.db2.gz YQDBQJVFTPMIRR-ZDUSSCGKSA-N 0 3 309.797 2.393 20 30 DEEDHN CC#CCCN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000155057503 402243884 /nfs/dbraw/zinc/24/38/84/402243884.db2.gz AAXPEBHUDXGLEH-UHFFFAOYSA-N 0 3 314.385 2.479 20 30 DEEDHN COc1ccc(CNCCNC(=O)c2ccc(C)cc2)cc1C#N ZINC000124992184 402207434 /nfs/dbraw/zinc/20/74/34/402207434.db2.gz IUJRNCODMADELS-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000068918643 402208932 /nfs/dbraw/zinc/20/89/32/402208932.db2.gz VYKJZQHQXWPNHJ-UHFFFAOYSA-N 0 3 301.777 2.495 20 30 DEEDHN N#CCCCCN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000109791395 402275903 /nfs/dbraw/zinc/27/59/03/402275903.db2.gz BRQNDZXTEVFLBV-UHFFFAOYSA-N 0 3 312.417 2.420 20 30 DEEDHN Cc1ccc(NC(=O)N[C@@H](C)CC#N)c(OCCN(C)C)c1 ZINC000160677779 402356623 /nfs/dbraw/zinc/35/66/23/402356623.db2.gz KOQQTZLERAGDGU-ZDUSSCGKSA-N 0 3 304.394 2.359 20 30 DEEDHN Cc1ccc(C#N)c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000162165380 402411298 /nfs/dbraw/zinc/41/12/98/402411298.db2.gz HQNXRZVKQCESHO-ZWKOTPCHSA-N 0 3 322.412 2.309 20 30 DEEDHN CC[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N(C)C ZINC000163652823 402454340 /nfs/dbraw/zinc/45/43/40/402454340.db2.gz PUTYSZWKQNVOPW-KRWDZBQOSA-N 0 3 315.417 2.268 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1(CO)CCCC1)C(C)C ZINC000178097646 402460669 /nfs/dbraw/zinc/46/06/69/402460669.db2.gz VRAZQPNKZCPFHV-INIZCTEOSA-N 0 3 323.481 2.289 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1O)C(C)C ZINC000246152037 402513080 /nfs/dbraw/zinc/51/30/80/402513080.db2.gz POKSNFMTKCZTCG-GVDBMIGSSA-N 0 3 323.481 2.288 20 30 DEEDHN COC(=O)[C@H](C)CN(CCOc1ccc(C#N)cc1)C1CC1 ZINC000171299561 402575458 /nfs/dbraw/zinc/57/54/58/402575458.db2.gz GZBNTGWFBVXRJU-CYBMUJFWSA-N 0 3 302.374 2.211 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000171566145 402595332 /nfs/dbraw/zinc/59/53/32/402595332.db2.gz AOYVHVFPUGYJLG-UHFFFAOYSA-N 0 3 310.401 2.457 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000171718992 402614404 /nfs/dbraw/zinc/61/44/04/402614404.db2.gz BMPPOURXYXGHAN-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)cc2OC)CC1 ZINC000171725111 402615033 /nfs/dbraw/zinc/61/50/33/402615033.db2.gz KBOJUQHAUCOAPQ-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN Cc1csc(NC(=O)C(C#N)c2nnc3n2CCCCC3)n1 ZINC000180507743 402618585 /nfs/dbraw/zinc/61/85/85/402618585.db2.gz JCPLAYTYSMQWSG-JTQLQIEISA-N 0 3 316.390 2.015 20 30 DEEDHN C[C@H]1Cc2ccccc2[C@@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000180867293 402628588 /nfs/dbraw/zinc/62/85/88/402628588.db2.gz RQROFSCSPGNPEV-NBGHVYGHSA-N 0 3 311.385 2.036 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 ZINC000172023587 402637622 /nfs/dbraw/zinc/63/76/22/402637622.db2.gz DTRLMWUVJHBFJT-INIZCTEOSA-N 0 3 315.804 2.366 20 30 DEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(C#N)cc1F ZINC000172150445 402642154 /nfs/dbraw/zinc/64/21/54/402642154.db2.gz NXUXZJNAHNXQIB-CQSZACIVSA-N 0 3 318.396 2.181 20 30 DEEDHN CCCCNC(=O)[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191292431 402658220 /nfs/dbraw/zinc/65/82/20/402658220.db2.gz KXBQPPSWVYHVCU-HNNXBMFYSA-N 0 3 302.422 2.025 20 30 DEEDHN N#Cc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000192226050 402717990 /nfs/dbraw/zinc/71/79/90/402717990.db2.gz JLURCSUSRVSKER-QGZVFWFLSA-N 0 3 323.400 2.051 20 30 DEEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1CO ZINC000191728847 402688798 /nfs/dbraw/zinc/68/87/98/402688798.db2.gz MRELRKGQPZBDIC-DYVFJYSZSA-N 0 3 310.401 2.019 20 30 DEEDHN C=CCCS(=O)(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000183023892 402733507 /nfs/dbraw/zinc/73/35/07/402733507.db2.gz XDMXZOBSYVZDDM-KGLIPLIRSA-N 0 3 300.468 2.135 20 30 DEEDHN N#CCSCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000192560154 402737222 /nfs/dbraw/zinc/73/72/22/402737222.db2.gz XVNJBXUXVHCCGM-OAHLLOKOSA-N 0 3 303.431 2.196 20 30 DEEDHN CN1CCN(c2ncccc2CN[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192747169 402747163 /nfs/dbraw/zinc/74/71/63/402747163.db2.gz GEKHSCNTVADCBW-RDJZCZTQSA-N 0 3 313.449 2.005 20 30 DEEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000174823643 402759207 /nfs/dbraw/zinc/75/92/07/402759207.db2.gz AXVDACDZHYHMTB-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN C#CCCCCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183459341 402769231 /nfs/dbraw/zinc/76/92/31/402769231.db2.gz ZRWBDSAZYSGNBY-SFHVURJKSA-N 0 3 314.429 2.063 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000263696504 402791987 /nfs/dbraw/zinc/79/19/87/402791987.db2.gz KROBMKCPVJTJCH-HUUCEWRRSA-N 0 3 315.417 2.185 20 30 DEEDHN COCCOc1ccc(C#N)cc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000184487187 402846634 /nfs/dbraw/zinc/84/66/34/402846634.db2.gz TYIJAQVBESVLDG-DZGCQCFKSA-N 0 3 303.406 2.478 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2cccc(F)c2)CC1 ZINC000264364871 402871654 /nfs/dbraw/zinc/87/16/54/402871654.db2.gz FMRXNDRPDUYCPE-UHFFFAOYSA-N 0 3 305.397 2.318 20 30 DEEDHN CCN1CCCN(C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000271529035 402879673 /nfs/dbraw/zinc/87/96/73/402879673.db2.gz KIQLIKPVYOKZHK-UHFFFAOYSA-N 0 3 302.378 2.148 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000278903303 402883747 /nfs/dbraw/zinc/88/37/47/402883747.db2.gz YVMWYPVFHRAQFU-GFCCVEGCSA-N 0 3 320.824 2.296 20 30 DEEDHN C#CCN1CCC(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000279047247 402898498 /nfs/dbraw/zinc/89/84/98/402898498.db2.gz AUFAJZKDHYQVQF-UHFFFAOYSA-N 0 3 307.357 2.197 20 30 DEEDHN COC1CCC(N(C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000265188125 402899632 /nfs/dbraw/zinc/89/96/32/402899632.db2.gz GPCLMFWPLLXRNN-UHFFFAOYSA-N 0 3 301.390 2.386 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000272477417 402941824 /nfs/dbraw/zinc/94/18/24/402941824.db2.gz LTGBBWDOJXHUKC-YOEHRIQHSA-N 0 3 309.413 2.408 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000272477410 402942032 /nfs/dbraw/zinc/94/20/32/402942032.db2.gz LTGBBWDOJXHUKC-PBHICJAKSA-N 0 3 309.413 2.408 20 30 DEEDHN COC(=O)C1=C(C)O[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000272539536 402950545 /nfs/dbraw/zinc/95/05/45/402950545.db2.gz NINWFUDFEUDBDP-XHDPSFHLSA-N 0 3 300.358 2.445 20 30 DEEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCCCO ZINC000279727004 402961220 /nfs/dbraw/zinc/96/12/20/402961220.db2.gz MRVVBWGXUGOSSS-INIZCTEOSA-N 0 3 317.433 2.416 20 30 DEEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1C#N ZINC000265934528 402963331 /nfs/dbraw/zinc/96/33/31/402963331.db2.gz DVWXLAMRDJFQQH-ZCDTZLGTSA-N 0 3 313.401 2.288 20 30 DEEDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(C#N)c1)CC2 ZINC000265944719 402964085 /nfs/dbraw/zinc/96/40/85/402964085.db2.gz GKNFCLWMFAKDLO-SJORKVTESA-N 0 3 300.402 2.310 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000265964421 402965362 /nfs/dbraw/zinc/96/53/62/402965362.db2.gz ROUHFZOMTPQHID-OAHLLOKOSA-N 0 3 300.402 2.112 20 30 DEEDHN N#Cc1cccnc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273058242 402966827 /nfs/dbraw/zinc/96/68/27/402966827.db2.gz CORCWLYDVAILCF-QGZVFWFLSA-N 0 3 308.385 2.132 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)C(=O)Nc1ccccc1C#N ZINC000279247221 402921720 /nfs/dbraw/zinc/92/17/20/402921720.db2.gz KVAPBSDXSMWKNF-KCQAQPDRSA-N 0 3 301.390 2.026 20 30 DEEDHN COC(=O)C1=C(C)O[C@@H](CN(C)Cc2ccc(C#N)cc2)C1 ZINC000272311349 402921907 /nfs/dbraw/zinc/92/19/07/402921907.db2.gz OXMWOCUBRRJQEG-OAHLLOKOSA-N 0 3 300.358 2.226 20 30 DEEDHN COC(=O)C1=C(C)O[C@H](CN(C)Cc2ccc(C#N)cc2)C1 ZINC000272311347 402921980 /nfs/dbraw/zinc/92/19/80/402921980.db2.gz OXMWOCUBRRJQEG-HNNXBMFYSA-N 0 3 300.358 2.226 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000279273852 402924831 /nfs/dbraw/zinc/92/48/31/402924831.db2.gz AZGHFIBCHGUFPX-JEBQAFNWSA-N 0 3 323.396 2.266 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279289172 402927106 /nfs/dbraw/zinc/92/71/06/402927106.db2.gz UIOBOZUUBMNYLF-OAHLLOKOSA-N 0 3 324.384 2.379 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000279294386 402927544 /nfs/dbraw/zinc/92/75/44/402927544.db2.gz YQCSHEJKHIRBEV-AEFFLSMTSA-N 0 3 302.418 2.267 20 30 DEEDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000279370127 402935319 /nfs/dbraw/zinc/93/53/19/402935319.db2.gz XBVBXASLZGNEDI-BBRMVZONSA-N 0 3 323.400 2.461 20 30 DEEDHN Cc1c(Cl)cnc(NC[C@@H](O)CN2CCCCC2)c1C#N ZINC000273285138 402990644 /nfs/dbraw/zinc/99/06/44/402990644.db2.gz DRWGGQQVUFOASK-GFCCVEGCSA-N 0 3 308.813 2.174 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1N1CCCC1 ZINC000273532566 403012493 /nfs/dbraw/zinc/01/24/93/403012493.db2.gz RIWPMJBKYOOEHI-HZPDHXFCSA-N 0 3 315.442 2.210 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274210642 403035373 /nfs/dbraw/zinc/03/53/73/403035373.db2.gz NLEDXWXYJTVPIK-INMHGKMJSA-N 0 3 314.433 2.308 20 30 DEEDHN COc1cc(CNCCNC(=O)c2cccc(C)c2)ccc1C#N ZINC000281600691 403073403 /nfs/dbraw/zinc/07/34/03/403073403.db2.gz FUFCIJSASDPVPP-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268474674 403086582 /nfs/dbraw/zinc/08/65/82/403086582.db2.gz MYKOSHXMNWPFTD-HIFRSBDPSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268474674 403086583 /nfs/dbraw/zinc/08/65/83/403086583.db2.gz MYKOSHXMNWPFTD-HIFRSBDPSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268474674 403086584 /nfs/dbraw/zinc/08/65/84/403086584.db2.gz MYKOSHXMNWPFTD-HIFRSBDPSA-N 0 3 319.453 2.106 20 30 DEEDHN C=CCN1CC[C@@H](NC(C)(C)CN(C)Cc2ccccc2)C1=O ZINC000281912462 403103725 /nfs/dbraw/zinc/10/37/25/403103725.db2.gz GRDSTPMQQVJYSO-QGZVFWFLSA-N 0 3 315.461 2.274 20 30 DEEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ncn(C)n1 ZINC000275628712 403110582 /nfs/dbraw/zinc/11/05/82/403110582.db2.gz AVNWFFXIRKYARF-CQSZACIVSA-N 0 3 324.432 2.002 20 30 DEEDHN CCC(CC)(CCO)NCC(=O)N(CCC#N)c1ccccc1 ZINC000282540679 403155949 /nfs/dbraw/zinc/15/59/49/403155949.db2.gz WAWZJZKSEBNDFR-UHFFFAOYSA-N 0 3 317.433 2.464 20 30 DEEDHN C#CCCCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000277518009 403226518 /nfs/dbraw/zinc/22/65/18/403226518.db2.gz OTDSKHDNRCERHY-UHFFFAOYSA-N 0 3 313.445 2.350 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccnc(C#N)c3)CC2)C[C@H](C)O1 ZINC000283921776 403232390 /nfs/dbraw/zinc/23/23/90/403232390.db2.gz XAENKYDSMXAXSD-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN C#CCCCN(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000270983325 403249061 /nfs/dbraw/zinc/24/90/61/403249061.db2.gz COUMINKBQZNETC-QGZVFWFLSA-N 0 3 316.401 2.154 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000284216116 403254469 /nfs/dbraw/zinc/25/44/69/403254469.db2.gz HBBTYCIDHARXNI-HZPDHXFCSA-N 0 3 323.458 2.423 20 30 DEEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1OC)CC2 ZINC000271038771 403256472 /nfs/dbraw/zinc/25/64/72/403256472.db2.gz MLRLZDPPMJMIQY-HNNXBMFYSA-N 0 3 314.385 2.342 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccncc2Br)CC1 ZINC000271120771 403266469 /nfs/dbraw/zinc/26/64/69/403266469.db2.gz KUQDHQHELBTBAI-UHFFFAOYSA-N 0 3 322.206 2.128 20 30 DEEDHN C#CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285365331 403281389 /nfs/dbraw/zinc/28/13/89/403281389.db2.gz BSEMHOGMHZGTPH-OAHLLOKOSA-N 0 3 306.356 2.283 20 30 DEEDHN CCOC1CC2(C1)CCN(C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000285387328 403285454 /nfs/dbraw/zinc/28/54/54/403285454.db2.gz DAOATUYGKJGEGR-LXPRWKDFSA-N 0 3 300.402 2.483 20 30 DEEDHN CC(C)CCOCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292091909 403288865 /nfs/dbraw/zinc/28/88/65/403288865.db2.gz FPJCBTNTYUDZLK-INIZCTEOSA-N 0 3 303.406 2.469 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1c(C)n[nH]c1C)C(C)C ZINC000298310327 403355005 /nfs/dbraw/zinc/35/50/05/403355005.db2.gz VGXNXJFPTTZVQN-QGZVFWFLSA-N 0 3 318.465 2.384 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccc(=O)[nH]n1)C(C)C ZINC000285482308 403307610 /nfs/dbraw/zinc/30/76/10/403307610.db2.gz BPRLEARMHKZGKE-ZBFHGGJFSA-N 0 3 304.438 2.119 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)s1 ZINC000342852283 403372440 /nfs/dbraw/zinc/37/24/40/403372440.db2.gz JORLPABQSLPATH-ZIAGYGMSSA-N 0 3 302.403 2.456 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1N(C)C ZINC000285909914 403408793 /nfs/dbraw/zinc/40/87/93/403408793.db2.gz YYOWBGPNALMCLC-ZIAGYGMSSA-N 0 3 323.849 2.329 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2([C@H](O)C(C)C)CC2)CC1 ZINC000342984363 403418374 /nfs/dbraw/zinc/41/83/74/403418374.db2.gz AAJATQDFUONUMA-MRXNPFEDSA-N 0 3 323.481 2.123 20 30 DEEDHN C=CCC(F)(F)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000293328462 403444693 /nfs/dbraw/zinc/44/46/93/403444693.db2.gz APPRNUJSNBPWQR-HNNXBMFYSA-N 0 3 324.371 2.081 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000345761516 403472919 /nfs/dbraw/zinc/47/29/19/403472919.db2.gz LEVXAFRRGOOAMI-QWRGUYRKSA-N 0 3 320.780 2.072 20 30 DEEDHN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C#N)c1C ZINC000345784852 403483581 /nfs/dbraw/zinc/48/35/81/403483581.db2.gz DBLPHQDMCNBAAP-FZMZJTMJSA-N 0 3 317.414 2.303 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1C#N ZINC000299111203 403524118 /nfs/dbraw/zinc/52/41/18/403524118.db2.gz YACVZEWHIHVJAF-STQMWFEESA-N 0 3 300.406 2.112 20 30 DEEDHN CN(CCOCCC#N)CCc1nc(-c2ccccc2)no1 ZINC000293635609 403524311 /nfs/dbraw/zinc/52/43/11/403524311.db2.gz RJBAOGYGMJJANI-UHFFFAOYSA-N 0 3 300.362 2.141 20 30 DEEDHN CC[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N(C)C ZINC000299126649 403528451 /nfs/dbraw/zinc/52/84/51/403528451.db2.gz XOZHHPDVMSABLO-OLZOCXBDSA-N 0 3 324.222 2.470 20 30 DEEDHN CNC(=O)c1ccc(CN(C)CCOc2ccccc2C#N)cc1 ZINC000299051654 403508664 /nfs/dbraw/zinc/50/86/64/403508664.db2.gz LPWUZUFNFXBPRQ-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN CN1CC=C(CNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000343249361 403510487 /nfs/dbraw/zinc/51/04/87/403510487.db2.gz KGFVQNQVNSYHOI-UHFFFAOYSA-N 0 3 301.415 2.028 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000301180846 403598585 /nfs/dbraw/zinc/59/85/85/403598585.db2.gz NDXQKYZKBAEJFH-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000332697418 403601615 /nfs/dbraw/zinc/60/16/15/403601615.db2.gz YNVMQGXDMHRJCZ-USPMSXPRSA-N 0 3 304.438 2.098 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C)cc1 ZINC000287462088 403603779 /nfs/dbraw/zinc/60/37/79/403603779.db2.gz XQZYPXOKZPITBE-NEPJUHHUSA-N 0 3 321.402 2.389 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2ccccc2C)c1C ZINC000293957001 403609088 /nfs/dbraw/zinc/60/90/88/403609088.db2.gz KSTRLNAXILMQFN-UHFFFAOYSA-N 0 3 324.428 2.174 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000293956863 403609306 /nfs/dbraw/zinc/60/93/06/403609306.db2.gz KPOLSWNMLXXJOX-UHFFFAOYSA-N 0 3 312.335 2.319 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000347092687 403615495 /nfs/dbraw/zinc/61/54/95/403615495.db2.gz APMTXHYQLVNLAV-NWDGAFQWSA-N 0 3 307.344 2.205 20 30 DEEDHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C(C)C#N)ccc2NC1=O ZINC000347189914 403619241 /nfs/dbraw/zinc/61/92/41/403619241.db2.gz APWPSEXOSKDHRU-CWSCBRNRSA-N 0 3 301.346 2.133 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000293983789 403615948 /nfs/dbraw/zinc/61/59/48/403615948.db2.gz NCDRSCSINBFCGR-UHFFFAOYSA-N 0 3 316.449 2.200 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000347137730 403617639 /nfs/dbraw/zinc/61/76/39/403617639.db2.gz PZSYZUFRPJURRT-CQSZACIVSA-N 0 3 324.384 2.145 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Br)ccc1C ZINC000293989814 403617747 /nfs/dbraw/zinc/61/77/47/403617747.db2.gz NSWHFBKJWHLXSZ-UHFFFAOYSA-N 0 3 323.234 2.442 20 30 DEEDHN COc1cc(CN[C@H]2CCN(CC(F)(F)F)C2)ccc1C#N ZINC000567034141 292284187 /nfs/dbraw/zinc/28/41/87/292284187.db2.gz SLEXWHLKIREOKL-ZDUSSCGKSA-N 0 3 313.323 2.293 20 30 DEEDHN C=CCOCCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000294042777 403632986 /nfs/dbraw/zinc/63/29/86/403632986.db2.gz IUTLBLFBKWIQHC-HOCLYGCPSA-N 0 3 310.344 2.029 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000294057390 403635545 /nfs/dbraw/zinc/63/55/45/403635545.db2.gz UUQQRQAXSXYWOW-UHFFFAOYSA-N 0 3 321.402 2.002 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)cc(OC)cc2F)[C@H]1C ZINC001088873846 782005166 /nfs/dbraw/zinc/00/51/66/782005166.db2.gz XWFIEXONVUJHBE-ABAIWWIYSA-N 0 3 322.355 2.189 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(O)CCCCCC2)CC1 ZINC000304237120 403770799 /nfs/dbraw/zinc/77/07/99/403770799.db2.gz KRMMVRZVJGMUBJ-UHFFFAOYSA-N 0 3 323.481 2.411 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000288675780 403762202 /nfs/dbraw/zinc/76/22/02/403762202.db2.gz WQSKSBLEFPDAHR-HKUYNNGSSA-N 0 3 309.365 2.283 20 30 DEEDHN CCCCO[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)C1(C)C ZINC000347686235 403804984 /nfs/dbraw/zinc/80/49/84/403804984.db2.gz HNAOTDDIZCKMNS-HDMKZQKVSA-N 0 3 321.465 2.368 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(CCC)Cc1ccccc1 ZINC000411132040 403838008 /nfs/dbraw/zinc/83/80/08/403838008.db2.gz XNWLEXGPSBOMIF-AWEZNQCLSA-N 0 3 303.406 2.299 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](OC)C1)C(C)C ZINC000361749985 403842623 /nfs/dbraw/zinc/84/26/23/403842623.db2.gz WBZPIUWPBINRAF-HZPDHXFCSA-N 0 3 309.454 2.115 20 30 DEEDHN CCC(CC)N(CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000344015987 403849676 /nfs/dbraw/zinc/84/96/76/403849676.db2.gz DNLOZAUYBYWMBD-QGZVFWFLSA-N 0 3 322.497 2.189 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)CC(C)(C)C)CC1 ZINC000305159029 403856788 /nfs/dbraw/zinc/85/67/88/403856788.db2.gz AWSDXAPCOIWRGF-OAHLLOKOSA-N 0 3 311.470 2.123 20 30 DEEDHN CCn1cc(CCN(C)CCOCc2ccc(C#N)cc2)cn1 ZINC000344101256 403910577 /nfs/dbraw/zinc/91/05/77/403910577.db2.gz CUVGYYGEPPMZGM-UHFFFAOYSA-N 0 3 312.417 2.466 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CO ZINC000362089875 403925786 /nfs/dbraw/zinc/92/57/86/403925786.db2.gz VZGDCGRLCOTNTP-TZMCWYRMSA-N 0 3 313.319 2.497 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)Cc1ccccc1C#N ZINC000344156321 403946490 /nfs/dbraw/zinc/94/64/90/403946490.db2.gz KYCYJRVMYZCTLT-UHFFFAOYSA-N 0 3 314.477 2.408 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN(C2CC2)C1 ZINC000295490396 403956298 /nfs/dbraw/zinc/95/62/98/403956298.db2.gz FMMDPBSYQHGSIY-GFCCVEGCSA-N 0 3 301.365 2.254 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337383093 403986605 /nfs/dbraw/zinc/98/66/05/403986605.db2.gz DUKRFNLETCTPQZ-HUBLWGQQSA-N 0 3 317.380 2.181 20 30 DEEDHN CN1CC[C@]2(CCN(c3ncc(Br)cc3C#N)C2)C1 ZINC000295697473 404007618 /nfs/dbraw/zinc/00/76/18/404007618.db2.gz PJUYBFKXWRCPLF-AWEZNQCLSA-N 0 3 321.222 2.248 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412064317 404101689 /nfs/dbraw/zinc/10/16/89/404101689.db2.gz DWCWZZFPPLPEFH-KGLIPLIRSA-N 0 3 309.454 2.320 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCC2(N(C)C)CCC2)cc1 ZINC000296114095 404099781 /nfs/dbraw/zinc/09/97/81/404099781.db2.gz XYVGVCCYCPUKPC-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN CCN1C[C@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000348423563 404067338 /nfs/dbraw/zinc/06/73/38/404067338.db2.gz PMUNIVAORIEVBQ-MPGHIAIKSA-N 0 3 324.428 2.182 20 30 DEEDHN CCOC1CC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000290172238 404068690 /nfs/dbraw/zinc/06/86/90/404068690.db2.gz KTCRZHYUMBFERV-KLAILNCOSA-N 0 3 311.385 2.266 20 30 DEEDHN CN(C)C(=O)NCCN(C)Cc1ccccc1C(C)(C)C#N ZINC000348953553 404111662 /nfs/dbraw/zinc/11/16/62/404111662.db2.gz YSEZTKSLNAYAEW-UHFFFAOYSA-N 0 3 302.422 2.191 20 30 DEEDHN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000328641341 404122115 /nfs/dbraw/zinc/12/21/15/404122115.db2.gz XUGLDMRWRRMGPZ-KKUMJFAQSA-N 0 3 318.421 2.081 20 30 DEEDHN O=C(NCCOC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000328860542 404162805 /nfs/dbraw/zinc/16/28/05/404162805.db2.gz LLXQQUGNJCRHPB-UHFFFAOYSA-N 0 3 309.454 2.466 20 30 DEEDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000363543757 404178346 /nfs/dbraw/zinc/17/83/46/404178346.db2.gz GWKGLZZYEGSEFY-MSOLQXFVSA-N 0 3 310.401 2.471 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccccc2F)C1=O ZINC000329009213 404198341 /nfs/dbraw/zinc/19/83/41/404198341.db2.gz ZXVLYPLQTZNXGA-XBFCOCLRSA-N 0 3 319.380 2.276 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000352245180 404241914 /nfs/dbraw/zinc/24/19/14/404241914.db2.gz DROCJHJJAKGVAB-HNNXBMFYSA-N 0 3 315.392 2.327 20 30 DEEDHN CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCO1 ZINC000329141860 404243265 /nfs/dbraw/zinc/24/32/65/404243265.db2.gz KRIMNBPWZCLIAQ-XOUADPBQSA-N 0 3 309.454 2.176 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnc2n[nH]nc2c1 ZINC000329159921 404248930 /nfs/dbraw/zinc/24/89/30/404248930.db2.gz XXBVUQPYJXJVMB-GRYCIOLGSA-N 0 3 316.409 2.024 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344618724 404266553 /nfs/dbraw/zinc/26/65/53/404266553.db2.gz QBRCGFMJXUHEEA-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN Cn1cc(-c2nc(C(=O)NCC3=CCN(C)CC3)cs2)cn1 ZINC000329216145 404267563 /nfs/dbraw/zinc/26/75/63/404267563.db2.gz NYTWDGGYLYIYQY-UHFFFAOYSA-N 0 3 317.418 2.110 20 30 DEEDHN Cn1cc(-c2ncc(C(=O)NCC3=CCN(C)CC3)s2)cn1 ZINC000329215001 404267829 /nfs/dbraw/zinc/26/78/29/404267829.db2.gz MAKRATBRSBPOEJ-UHFFFAOYSA-N 0 3 317.418 2.110 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000329263188 404284026 /nfs/dbraw/zinc/28/40/26/404284026.db2.gz DJQDUHZZWKKPDV-OAGGEKHMSA-N 0 3 321.465 2.466 20 30 DEEDHN COc1ccc(CNC[C@@H](O)C(F)F)cc1OCCCC#N ZINC000344771000 404358400 /nfs/dbraw/zinc/35/84/00/404358400.db2.gz JWSBCOBIJQDSDZ-GFCCVEGCSA-N 0 3 314.332 2.093 20 30 DEEDHN NC(=O)N1CCC[C@H](CNC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000329340078 404307976 /nfs/dbraw/zinc/30/79/76/404307976.db2.gz RHZPLAQYPYHILC-OCCSQVGLSA-N 0 3 308.426 2.022 20 30 DEEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)no1 ZINC000329346061 404309772 /nfs/dbraw/zinc/30/97/72/404309772.db2.gz CCWIOJVCBNVLQU-QKCSRTOESA-N 0 3 319.409 2.054 20 30 DEEDHN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329363005 404313855 /nfs/dbraw/zinc/31/38/55/404313855.db2.gz ZGATVJVPGJOZRP-DZGCQCFKSA-N 0 3 307.438 2.240 20 30 DEEDHN CC[C@@H](C)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000296750843 404317060 /nfs/dbraw/zinc/31/70/60/404317060.db2.gz BDKNWEAJDVSRFP-QAPCUYQASA-N 0 3 324.428 2.183 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355801089 404368419 /nfs/dbraw/zinc/36/84/19/404368419.db2.gz FBKVWWSNDFNVOB-HKUYNNGSSA-N 0 3 316.445 2.437 20 30 DEEDHN CCc1nnc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)s1 ZINC000329538370 404370211 /nfs/dbraw/zinc/37/02/11/404370211.db2.gz BXUJIAKWTAOPOB-LBPRGKRZSA-N 0 3 323.466 2.075 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N(C)C[C@H]2CCCN(C)C2)s1 ZINC000329585530 404384178 /nfs/dbraw/zinc/38/41/78/404384178.db2.gz REZGZBQNTJTUQO-JQWIXIFHSA-N 0 3 311.455 2.095 20 30 DEEDHN C=CCCC1(C(=O)NCCCCN2CCN(CC)CC2)CC1 ZINC000356094549 404391798 /nfs/dbraw/zinc/39/17/98/404391798.db2.gz MCVZDCLRFUIUBV-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN CCCN(CCN(C)C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000344832282 404393515 /nfs/dbraw/zinc/39/35/15/404393515.db2.gz PKWMQROWRBZRQT-AWEZNQCLSA-N 0 3 303.406 2.126 20 30 DEEDHN CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000329616369 404394756 /nfs/dbraw/zinc/39/47/56/404394756.db2.gz PTRLBMKMGXGJCC-SDDRHHMPSA-N 0 3 308.451 2.445 20 30 DEEDHN CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000329616369 404394762 /nfs/dbraw/zinc/39/47/62/404394762.db2.gz PTRLBMKMGXGJCC-SDDRHHMPSA-N 0 3 308.451 2.445 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342147078 404399351 /nfs/dbraw/zinc/39/93/51/404399351.db2.gz DGUPCNJDZBEVBX-CRAIPNDOSA-N 0 3 322.449 2.076 20 30 DEEDHN CCc1nnc(CNC(=O)N2CCCC23CCN(C)CC3)s1 ZINC000329694792 404424693 /nfs/dbraw/zinc/42/46/93/404424693.db2.gz BDHJWHUQPXUKLZ-UHFFFAOYSA-N 0 3 323.466 2.075 20 30 DEEDHN N#Cc1ncccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000329742066 404437204 /nfs/dbraw/zinc/43/72/04/404437204.db2.gz WHXWDJFXGRVFAE-OAHLLOKOSA-N 0 3 300.406 2.034 20 30 DEEDHN C[C@H](C(=O)NCc1nnc(C2CC2)n1C)N1[C@H](C)CC[C@@H]1C ZINC000329782838 404451318 /nfs/dbraw/zinc/45/13/18/404451318.db2.gz OBRPBCCUHVQXEK-GRYCIOLGSA-N 0 3 305.426 2.410 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000350730782 404453210 /nfs/dbraw/zinc/45/32/10/404453210.db2.gz VXTFYIMYGWYQTB-KFWWJZLASA-N 0 3 319.453 2.235 20 30 DEEDHN CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N1CCCC1)N1CCCCC1 ZINC000329829450 404463544 /nfs/dbraw/zinc/46/35/44/404463544.db2.gz JSFGCIGSBRXJGK-GJZGRUSLSA-N 0 3 309.454 2.464 20 30 DEEDHN CC1CCN(CCNC(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000330209238 404586367 /nfs/dbraw/zinc/58/63/67/404586367.db2.gz HMJVNSZOJWRZHJ-HNNXBMFYSA-N 0 3 309.454 2.324 20 30 DEEDHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000330034347 404533022 /nfs/dbraw/zinc/53/30/22/404533022.db2.gz WICINJGYVKKSKW-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330178367 404574269 /nfs/dbraw/zinc/57/42/69/404574269.db2.gz LNWCTHLTTPSSLR-HUUCEWRRSA-N 0 3 309.454 2.466 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1ccnc1C)C(C)C ZINC000297736722 404606129 /nfs/dbraw/zinc/60/61/29/404606129.db2.gz ZULGJTCYSMQCKO-INIZCTEOSA-N 0 3 304.438 2.006 20 30 DEEDHN C=CCCC1(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000356585672 404606305 /nfs/dbraw/zinc/60/63/05/404606305.db2.gz AVHIBSRTUNXPOM-MRXNPFEDSA-N 0 3 319.493 2.360 20 30 DEEDHN C=CCN1CC(=O)N([C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1=O ZINC000365358067 404631693 /nfs/dbraw/zinc/63/16/93/404631693.db2.gz RLZFYUZQNGRUEX-HOCLYGCPSA-N 0 3 313.401 2.100 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000330568924 404690337 /nfs/dbraw/zinc/69/03/37/404690337.db2.gz LYCSAZWZVWRZKJ-LSDHHAIUSA-N 0 3 314.433 2.301 20 30 DEEDHN CN(C)Cc1cnc(CNCCc2cccc(C#N)c2)s1 ZINC000352855084 404666326 /nfs/dbraw/zinc/66/63/26/404666326.db2.gz WPJFEZJAFALOIX-UHFFFAOYSA-N 0 3 300.431 2.409 20 30 DEEDHN Cc1nc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000330575957 404691971 /nfs/dbraw/zinc/69/19/71/404691971.db2.gz QQZAOTUTZUXRET-HZSPNIEDSA-N 0 3 314.433 2.358 20 30 DEEDHN N#Cc1ncn(CCNCc2ccc(-c3ccc(F)cc3)o2)n1 ZINC000353034255 404728229 /nfs/dbraw/zinc/72/82/29/404728229.db2.gz ALDYAWXEPZZEFB-UHFFFAOYSA-N 0 3 311.320 2.339 20 30 DEEDHN COc1ccc(CNCCn2cnc(C#N)n2)c2ccccc12 ZINC000353050030 404732033 /nfs/dbraw/zinc/73/20/33/404732033.db2.gz UUKWZCPDOXGRFZ-UHFFFAOYSA-N 0 3 307.357 2.101 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000357424465 404733969 /nfs/dbraw/zinc/73/39/69/404733969.db2.gz WKBQBNDZINHIHK-HIFRSBDPSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)nc1 ZINC000357535557 404737133 /nfs/dbraw/zinc/73/71/33/404737133.db2.gz SIWWOIWMWFPMPD-TZMCWYRMSA-N 0 3 300.406 2.035 20 30 DEEDHN COc1cc(CNCC2(S(C)(=O)=O)CCCC2)ccc1C#N ZINC000353099287 404742085 /nfs/dbraw/zinc/74/20/85/404742085.db2.gz RPMMVQYHTHMRON-UHFFFAOYSA-N 0 3 322.430 2.014 20 30 DEEDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)C#N)c1cccc(OC)c1 ZINC000357824632 404745442 /nfs/dbraw/zinc/74/54/42/404745442.db2.gz KURJFWSQIIRXQT-BBRMVZONSA-N 0 3 303.406 2.354 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(F)(F)[C@H](C)C2)CC1 ZINC000357966971 404749974 /nfs/dbraw/zinc/74/99/74/404749974.db2.gz BAQFPKWKEHEKRS-GFCCVEGCSA-N 0 3 301.381 2.324 20 30 DEEDHN CC(C#N)C(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000357998424 404750429 /nfs/dbraw/zinc/75/04/29/404750429.db2.gz BSXVHYUPVVRWCK-HZMBPMFUSA-N 0 3 302.765 2.439 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415018864 404788745 /nfs/dbraw/zinc/78/87/45/404788745.db2.gz CXZGDSYLKFYMMB-LBPRGKRZSA-N 0 3 301.390 2.089 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@]12CCOC2)C(C)C ZINC000359272204 404788950 /nfs/dbraw/zinc/78/89/50/404788950.db2.gz MMXGJSJYQCOBBU-JFIYKMOQSA-N 0 3 306.450 2.228 20 30 DEEDHN CC(C#N)C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC000360220307 404822988 /nfs/dbraw/zinc/82/29/88/404822988.db2.gz HNVQLGCFQYKATM-LLVKDONJSA-N 0 3 304.419 2.330 20 30 DEEDHN COCCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000360339798 404825979 /nfs/dbraw/zinc/82/59/79/404825979.db2.gz ZWNDCFLAXCFYCM-GFCCVEGCSA-N 0 3 323.356 2.204 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H]1CCCN1C1CCCCC1 ZINC000366662496 404827256 /nfs/dbraw/zinc/82/72/56/404827256.db2.gz FTTBDSYWXOQKFW-OAHLLOKOSA-N 0 3 300.468 2.279 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C12CCCCC2 ZINC000375695817 286489536 /nfs/dbraw/zinc/48/95/36/286489536.db2.gz CDVPNPLUVZBEEL-CVEARBPZSA-N 0 3 321.465 2.466 20 30 DEEDHN C=C[C@@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000358765650 404774904 /nfs/dbraw/zinc/77/49/04/404774904.db2.gz FTKGFKPCUUEENM-HOCLYGCPSA-N 0 3 317.433 2.058 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)NCC2(C#N)CCC2)c1 ZINC000416761313 404904792 /nfs/dbraw/zinc/90/47/92/404904792.db2.gz IYQDYNIFWDLCFQ-UHFFFAOYSA-N 0 3 316.405 2.442 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451181287 404890696 /nfs/dbraw/zinc/89/06/96/404890696.db2.gz HPKKRKFOVNMBCO-FMKPAKJESA-N 0 3 315.417 2.265 20 30 DEEDHN N#Cc1ccc(NC(=O)CNC2(CCO)CCCCC2)cc1 ZINC000353658203 404906038 /nfs/dbraw/zinc/90/60/38/404906038.db2.gz PTJJQJQQIMXDGX-UHFFFAOYSA-N 0 3 301.390 2.172 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1F ZINC000367216166 404968163 /nfs/dbraw/zinc/96/81/63/404968163.db2.gz APJOWCOITGOLLT-CQSZACIVSA-N 0 3 301.365 2.444 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](CO)CCC(C)(C)C)CC1 ZINC000353713948 404937369 /nfs/dbraw/zinc/93/73/69/404937369.db2.gz CZOLCDSZMKRNOZ-OAHLLOKOSA-N 0 3 311.470 2.123 20 30 DEEDHN C[C@@H](N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)O ZINC000451373273 404971449 /nfs/dbraw/zinc/97/14/49/404971449.db2.gz RPFZCZDKICTBFS-CJNGLKHVSA-N 0 3 315.417 2.145 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(Br)cc1 ZINC000424088335 405001749 /nfs/dbraw/zinc/00/17/49/405001749.db2.gz GUGKSKNWQBAIMR-CYBMUJFWSA-N 0 3 324.222 2.129 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000424106402 405008458 /nfs/dbraw/zinc/00/84/58/405008458.db2.gz XFRWMRHDKQZNMW-CVEARBPZSA-N 0 3 303.381 2.380 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000424106407 405008748 /nfs/dbraw/zinc/00/87/48/405008748.db2.gz XFRWMRHDKQZNMW-HZPDHXFCSA-N 0 3 303.381 2.380 20 30 DEEDHN C=CCn1c(C)nnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424115988 405011510 /nfs/dbraw/zinc/01/15/10/405011510.db2.gz WKAYRIOLEDMYLI-ZWKOTPCHSA-N 0 3 323.444 2.483 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000424125319 405015402 /nfs/dbraw/zinc/01/54/02/405015402.db2.gz NSSZSVYQCNWVLM-GJZGRUSLSA-N 0 3 303.431 2.154 20 30 DEEDHN Cc1ccccc1-c1cc(NC(=O)[C@@H](N)CCCC#N)n(C)n1 ZINC000424125721 405015496 /nfs/dbraw/zinc/01/54/96/405015496.db2.gz RKNXYFTWNCSFDN-AWEZNQCLSA-N 0 3 311.389 2.355 20 30 DEEDHN Cn1cc(Nc2cccc(NC(=O)[C@H](N)CCCC#N)c2)cn1 ZINC000424126519 405015661 /nfs/dbraw/zinc/01/56/61/405015661.db2.gz OVHOFEFQWCBTII-OAHLLOKOSA-N 0 3 312.377 2.123 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000361317357 405019703 /nfs/dbraw/zinc/01/97/03/405019703.db2.gz ZPXYLJCNKINFDW-NXEZZACHSA-N 0 3 311.179 2.492 20 30 DEEDHN CN(C(=O)[C@H](N)CCCC#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000424142450 405020170 /nfs/dbraw/zinc/02/01/70/405020170.db2.gz IGISFVXKWCJTIJ-DLBZAZTESA-N 0 3 314.433 2.135 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000424164392 405026535 /nfs/dbraw/zinc/02/65/35/405026535.db2.gz CFKMGBIGLWFWFJ-SMDDNHRTSA-N 0 3 307.344 2.302 20 30 DEEDHN C=CCn1cc(CN[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)nn1 ZINC000424173331 405029746 /nfs/dbraw/zinc/02/97/46/405029746.db2.gz PIUBPSMJZRRWRG-WBVHZDCISA-N 0 3 311.433 2.217 20 30 DEEDHN COC[C@@H](C)Nc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424177116 405031434 /nfs/dbraw/zinc/03/14/34/405031434.db2.gz UCKYRCZEXFFXLW-CHWSQXEVSA-N 0 3 304.394 2.093 20 30 DEEDHN N#Cc1cccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000416982068 404986320 /nfs/dbraw/zinc/98/63/20/404986320.db2.gz BANLEBSIOBCCGI-ZWKOTPCHSA-N 0 3 320.396 2.195 20 30 DEEDHN COC[C@@]1(CO)CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000451921358 405093898 /nfs/dbraw/zinc/09/38/98/405093898.db2.gz BSXRXUYREFISIW-SFHVURJKSA-N 0 3 302.418 2.319 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1(N(C)C)CC1 ZINC000416301992 405094104 /nfs/dbraw/zinc/09/41/04/405094104.db2.gz MPPAVBKUMFYQQF-MRXNPFEDSA-N 0 3 315.417 2.172 20 30 DEEDHN CN(C)CCOCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000361440910 405077560 /nfs/dbraw/zinc/07/75/60/405077560.db2.gz RCZQMKVYXOYUIM-UHFFFAOYSA-N 0 3 318.421 2.187 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000424667632 405144970 /nfs/dbraw/zinc/14/49/70/405144970.db2.gz VKMAPZFDSKZNHA-UHFFFAOYSA-N 0 3 307.482 2.075 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000452122991 405183919 /nfs/dbraw/zinc/18/39/19/405183919.db2.gz LWFBIYRJJOKOEG-RANZSIQMSA-N 0 3 314.429 2.357 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H](O)C1)C(C)C ZINC000439281287 405273221 /nfs/dbraw/zinc/27/32/21/405273221.db2.gz XYQFCTHVDUQMIR-GVDBMIGSSA-N 0 3 308.466 2.352 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000439638461 405287659 /nfs/dbraw/zinc/28/76/59/405287659.db2.gz VTOMPIVEROBZTE-BFHYXJOUSA-N 0 3 307.438 2.121 20 30 DEEDHN CCCOc1c(OC)cc(CCNC(=O)C(C)C#N)cc1OC ZINC000452796245 405244970 /nfs/dbraw/zinc/24/49/70/405244970.db2.gz RYQZSYSPIGFSCM-LBPRGKRZSA-N 0 3 320.389 2.311 20 30 DEEDHN C=CCN1CC[C@H](N2CCNC[C@H]2c2cccc(Cl)c2)C1=O ZINC000420317804 405316702 /nfs/dbraw/zinc/31/67/02/405316702.db2.gz OUEZQJIADCVVDY-HOTGVXAUSA-N 0 3 319.836 2.073 20 30 DEEDHN COc1cc(CNCCn2c3ccccc3[nH]c2=O)ccc1C#N ZINC000440621741 405319995 /nfs/dbraw/zinc/31/99/95/405319995.db2.gz ZCWRBISRMJLVPC-UHFFFAOYSA-N 0 3 322.368 2.412 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cnccc2C)CC1 ZINC000454466994 405349368 /nfs/dbraw/zinc/34/93/68/405349368.db2.gz QQKLCHIUDDKXSE-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000454496627 405354605 /nfs/dbraw/zinc/35/46/05/405354605.db2.gz ZFKZFDUISNQXFU-CVEARBPZSA-N 0 3 315.417 2.097 20 30 DEEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCCN1C ZINC000420995468 405422558 /nfs/dbraw/zinc/42/25/58/405422558.db2.gz DRPLYBFCNHKGCY-OAHLLOKOSA-N 0 3 311.389 2.134 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](OCC)[C@@H](C)C2)CC1 ZINC000454539084 405360542 /nfs/dbraw/zinc/36/05/42/405360542.db2.gz IVEMKCFLCZARGZ-GOEBONIOSA-N 0 3 309.454 2.093 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000448689145 405437063 /nfs/dbraw/zinc/43/70/63/405437063.db2.gz GRPFENVPLHWRAX-CZUORRHYSA-N 0 3 307.463 2.014 20 30 DEEDHN COC(=O)C[C@](C)(NCCCSCC#N)c1ccccn1 ZINC000429674837 405442854 /nfs/dbraw/zinc/44/28/54/405442854.db2.gz VODBNMJBEBFYKI-HNNXBMFYSA-N 0 3 307.419 2.096 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000429710301 405444710 /nfs/dbraw/zinc/44/47/10/405444710.db2.gz VKRQSNYZPWRNLK-INIZCTEOSA-N 0 3 308.397 2.480 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000429721215 405445651 /nfs/dbraw/zinc/44/56/51/405445651.db2.gz GMYSXUCCMKOFFB-KRWDZBQOSA-N 0 3 301.434 2.232 20 30 DEEDHN CC(C)N1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000455773637 405448728 /nfs/dbraw/zinc/44/87/28/405448728.db2.gz BSHRFUSJRWUPHA-HZMBPMFUSA-N 0 3 321.812 2.457 20 30 DEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(C#N)o1 ZINC000429832324 405452175 /nfs/dbraw/zinc/45/21/75/405452175.db2.gz VZEBGGNEBWDZBK-UHFFFAOYSA-N 0 3 315.348 2.494 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3c(cccc3C)O2)CC1 ZINC000448924266 405464621 /nfs/dbraw/zinc/46/46/21/405464621.db2.gz XTBAALRHCSEYQS-GOSISDBHSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000448953229 405470638 /nfs/dbraw/zinc/47/06/38/405470638.db2.gz HNHVAADGHVZVEY-UAGQMJEPSA-N 0 3 302.418 2.214 20 30 DEEDHN Cn1nccc1N1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000421384700 405482635 /nfs/dbraw/zinc/48/26/35/405482635.db2.gz KRGWUHLOKJSVND-OAHLLOKOSA-N 0 3 313.380 2.189 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C=C)C(C)C ZINC000448977114 405483098 /nfs/dbraw/zinc/48/30/98/405483098.db2.gz XANFZZSBXKDVGL-ZACQAIPSSA-N 0 3 306.450 2.392 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000448979637 405484856 /nfs/dbraw/zinc/48/48/56/405484856.db2.gz JVKXSTKREPPDFO-OAHLLOKOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](OC)c2ccc(F)cc2)CC1 ZINC000528451297 405613819 /nfs/dbraw/zinc/61/38/19/405613819.db2.gz WXOJZKZFSBQSGU-MRXNPFEDSA-N 0 3 306.381 2.280 20 30 DEEDHN COc1cccc2c1CCN(C[C@@H](O)CC1(C#N)CC1)CC2 ZINC000528480614 405628725 /nfs/dbraw/zinc/62/87/25/405628725.db2.gz GLXLYNCOEQICSU-HNNXBMFYSA-N 0 3 300.402 2.151 20 30 DEEDHN C[C@@H]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528479109 405628756 /nfs/dbraw/zinc/62/87/56/405628756.db2.gz VKJMZKNZIPMNAO-CABCVRRESA-N 0 3 310.397 2.406 20 30 DEEDHN Cc1cc(NC(=O)NCCCCC#N)n(C2CCN(C)CC2)n1 ZINC000431145147 405586225 /nfs/dbraw/zinc/58/62/25/405586225.db2.gz WOCNFJUSNMGPHZ-UHFFFAOYSA-N 0 3 318.425 2.274 20 30 DEEDHN CCN1C[C@@H](NCc2cccc(OCCCC#N)c2)CC1=O ZINC000449516502 405593756 /nfs/dbraw/zinc/59/37/56/405593756.db2.gz GLFOPJYXVFNOFX-HNNXBMFYSA-N 0 3 301.390 2.080 20 30 DEEDHN C[C@H]1OCC[C@@]1(C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000494247586 405669157 /nfs/dbraw/zinc/66/91/57/405669157.db2.gz LDBLMVYCBTZGOF-RHSMWYFYSA-N 0 3 301.390 2.090 20 30 DEEDHN C=CCC[C@@H](CO)NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000449699439 405699959 /nfs/dbraw/zinc/69/99/59/405699959.db2.gz QRNWWSGZANYJSY-ZDUSSCGKSA-N 0 3 309.479 2.326 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000459034717 405705516 /nfs/dbraw/zinc/70/55/16/405705516.db2.gz SIJHHROMSNHRFT-CABCVRRESA-N 0 3 323.462 2.165 20 30 DEEDHN CC1(N2CCOCC2)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000528731490 405728461 /nfs/dbraw/zinc/72/84/61/405728461.db2.gz SFRZIWUJYSFUSY-UHFFFAOYSA-N 0 3 317.408 2.384 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)NCCCCN1CCN(CC)CC1 ZINC000494652791 405736321 /nfs/dbraw/zinc/73/63/21/405736321.db2.gz DNNPTLYFNASNBF-KRWDZBQOSA-N 0 3 322.497 2.154 20 30 DEEDHN CCC(C#N)(CC)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000528756592 405737833 /nfs/dbraw/zinc/73/78/33/405737833.db2.gz KMZJGJOSZPGOIA-UHFFFAOYSA-N 0 3 309.454 2.322 20 30 DEEDHN N#CC(C(=O)Cc1ccc(F)c(Cl)c1)C(=O)N1CCCC1 ZINC000528912132 405743212 /nfs/dbraw/zinc/74/32/12/405743212.db2.gz BMCZOQBNLHCCFT-LLVKDONJSA-N 0 3 308.740 2.353 20 30 DEEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000528928205 405744364 /nfs/dbraw/zinc/74/43/64/405744364.db2.gz NCKAECPBHOVICA-ZDUSSCGKSA-N 0 3 310.361 2.026 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)NC1CCN(CCCOC)CC1 ZINC000494871476 405776155 /nfs/dbraw/zinc/77/61/55/405776155.db2.gz BMBRJFCAKMNPNQ-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN N#CC[C@@]1(O)CCN(C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000592154860 405880038 /nfs/dbraw/zinc/88/00/38/405880038.db2.gz UWZKVSQRISVLMB-RTBURBONSA-N 0 3 310.397 2.094 20 30 DEEDHN C=CCNC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000432967957 405842543 /nfs/dbraw/zinc/84/25/43/405842543.db2.gz SSFRPOKRDLXULS-GOEBONIOSA-N 0 3 319.453 2.021 20 30 DEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000459485214 405924608 /nfs/dbraw/zinc/92/46/08/405924608.db2.gz TWWFJQMLRKWJPU-GASCZTMLSA-N 0 3 317.433 2.360 20 30 DEEDHN C#CCCCN1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000495604451 405926039 /nfs/dbraw/zinc/92/60/39/405926039.db2.gz OVAAYMIVGXWWHD-GJZGRUSLSA-N 0 3 308.422 2.110 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000495827409 405936733 /nfs/dbraw/zinc/93/67/33/405936733.db2.gz NJYHCBYKSRKIJO-ILXRZTDVSA-N 0 3 321.421 2.396 20 30 DEEDHN C[C@H](C#N)OCCN(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495937072 405941193 /nfs/dbraw/zinc/94/11/93/405941193.db2.gz ULVRMBPYUOPCHS-UKRRQHHQSA-N 0 3 323.437 2.389 20 30 DEEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495960380 405942403 /nfs/dbraw/zinc/94/24/03/405942403.db2.gz GSTDSWHLDCREMH-RYUDHWBXSA-N 0 3 301.346 2.322 20 30 DEEDHN C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CCN(C2CC2)C1 ZINC000457604652 405916928 /nfs/dbraw/zinc/91/69/28/405916928.db2.gz XOFMDVRBONUUNF-INIZCTEOSA-N 0 3 311.429 2.164 20 30 DEEDHN C[C@@H]1CN(CCCNc2cccc(C#N)c2[N+](=O)[O-])CCCO1 ZINC000450484695 405922165 /nfs/dbraw/zinc/92/21/65/405922165.db2.gz HJXCNLYNNAKMNN-CYBMUJFWSA-N 0 3 318.377 2.379 20 30 DEEDHN CO[C@H]1C[C@H](NCC(=O)Nc2sccc2C#N)C12CCC2 ZINC000459755100 406033470 /nfs/dbraw/zinc/03/34/70/406033470.db2.gz JOUMRXVXJQVQBR-RYUDHWBXSA-N 0 3 305.403 2.105 20 30 DEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(CC#N)ccn1 ZINC000531670853 405992163 /nfs/dbraw/zinc/99/21/63/405992163.db2.gz ITSDFVZLVXMMSV-ZBEGNZNMSA-N 0 3 309.325 2.315 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(COC)C1)C(C)C ZINC000433943495 406000334 /nfs/dbraw/zinc/00/03/34/406000334.db2.gz ZXXUFJXYWPSHAQ-MRXNPFEDSA-N 0 3 323.481 2.363 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639748902 406232829 /nfs/dbraw/zinc/23/28/29/406232829.db2.gz HJQIQQFMPKHHSQ-JKSUJKDBSA-N 0 3 307.482 2.238 20 30 DEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(CCC#N)CC2)C1 ZINC000569098309 406224517 /nfs/dbraw/zinc/22/45/17/406224517.db2.gz BHTQQQYSQSMFMK-GOEBONIOSA-N 0 3 306.454 2.440 20 30 DEEDHN C[C@H]1COCCN1C1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000570174146 406357484 /nfs/dbraw/zinc/35/74/84/406357484.db2.gz RUNXCPLIQUWCQU-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN CCC1CCC(N(CCO)CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000488170919 406298534 /nfs/dbraw/zinc/29/85/34/406298534.db2.gz RFWILXAOPHWIET-KLAILNCOSA-N 0 3 323.481 2.258 20 30 DEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000570511967 406403494 /nfs/dbraw/zinc/40/34/94/406403494.db2.gz LOFATYDPBSAPKG-NVXWUHKLSA-N 0 3 313.401 2.388 20 30 DEEDHN COCCN(CCOc1cccc(C#N)c1)[C@@H]1CCO[C@H]1C ZINC000489500829 406413522 /nfs/dbraw/zinc/41/35/22/406413522.db2.gz OJYVLTLCMWUVQQ-WMLDXEAASA-N 0 3 304.390 2.063 20 30 DEEDHN C=CCn1cccc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000489038880 406373127 /nfs/dbraw/zinc/37/31/27/406373127.db2.gz LLGARKFQOXHYPZ-UHFFFAOYSA-N 0 3 301.390 2.471 20 30 DEEDHN C=CCCCS(=O)(=O)NCCCN1C[C@H](C)C[C@H](C)C1 ZINC000489123525 406378903 /nfs/dbraw/zinc/37/89/03/406378903.db2.gz OCMCXMDSSMPUJQ-GASCZTMLSA-N 0 3 302.484 2.240 20 30 DEEDHN C=CCn1cccc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000490022775 406447052 /nfs/dbraw/zinc/44/70/52/406447052.db2.gz HDXTZNJODUJSPG-IYBDPMFKSA-N 0 3 319.449 2.293 20 30 DEEDHN C#CCNC(=O)C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000491104144 406528110 /nfs/dbraw/zinc/52/81/10/406528110.db2.gz RQWAFIDCZUNKHE-UHFFFAOYSA-N 0 3 320.433 2.379 20 30 DEEDHN C#C[C@H](CC)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000491276509 406558464 /nfs/dbraw/zinc/55/84/64/406558464.db2.gz JKYIXSKGQNCEMS-CQSZACIVSA-N 0 3 309.479 2.059 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000491298614 406563675 /nfs/dbraw/zinc/56/36/75/406563675.db2.gz WIUTVXXFCIJIKA-AWEZNQCLSA-N 0 3 320.462 2.157 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(NCCC)cc1 ZINC000491465389 406599369 /nfs/dbraw/zinc/59/93/69/406599369.db2.gz WMXFDUFOUFKDJW-UHFFFAOYSA-N 0 3 316.449 2.263 20 30 DEEDHN C#C[C@H](NCc1ccccc1OCC(=O)N1CCCC1)C(C)C ZINC000491621631 406635644 /nfs/dbraw/zinc/63/56/44/406635644.db2.gz IEHRKUARDUHMIG-KRWDZBQOSA-N 0 3 314.429 2.435 20 30 DEEDHN C#CCN1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000491474283 406600217 /nfs/dbraw/zinc/60/02/17/406600217.db2.gz LKFLLURNLFZFEI-JKSUJKDBSA-N 0 3 322.449 2.404 20 30 DEEDHN CO[C@@H](CNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000550830379 406608188 /nfs/dbraw/zinc/60/81/88/406608188.db2.gz ADXVMTLLCGFBIY-INIZCTEOSA-N 0 3 307.357 2.078 20 30 DEEDHN Cc1cccc(OC[C@@H](C)NCc2cnc3c(C#N)cnn3c2)c1 ZINC000551211617 406613341 /nfs/dbraw/zinc/61/33/41/406613341.db2.gz SDWALFBDOXESCF-CQSZACIVSA-N 0 3 321.384 2.467 20 30 DEEDHN C#C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000491536116 406613834 /nfs/dbraw/zinc/61/38/34/406613834.db2.gz HWRVABMNWRYYAS-FUHWJXTLSA-N 0 3 315.392 2.237 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(C)n(C)nc3c2)CC1 ZINC000491556791 406621081 /nfs/dbraw/zinc/62/10/81/406621081.db2.gz ZAYUDARAZMRZHD-UHFFFAOYSA-N 0 3 310.401 2.165 20 30 DEEDHN CC(C#N)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000491407843 406586891 /nfs/dbraw/zinc/58/68/91/406586891.db2.gz WSVFXPVACXVSPJ-GFCCVEGCSA-N 0 3 309.410 2.490 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000491674390 406663093 /nfs/dbraw/zinc/66/30/93/406663093.db2.gz XBOJCUQMWVCWEP-HUUCEWRRSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1nc(-c2ccco2)sc1C ZINC000491690562 406670262 /nfs/dbraw/zinc/67/02/62/406670262.db2.gz BTABBXWEMQUHLE-UHFFFAOYSA-N 0 3 317.414 2.396 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000491697795 406675722 /nfs/dbraw/zinc/67/57/22/406675722.db2.gz AOSVQBUEJLEQAR-YJBOKZPZSA-N 0 3 313.445 2.486 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC(F)F)CC1CCC1 ZINC000491627087 406638659 /nfs/dbraw/zinc/63/86/59/406638659.db2.gz JOPFLALNNUUPMO-UHFFFAOYSA-N 0 3 301.381 2.018 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000491629530 406639366 /nfs/dbraw/zinc/63/93/66/406639366.db2.gz LTAJYKICENTCQR-IUODEOHRSA-N 0 3 321.371 2.075 20 30 DEEDHN CN(C)C/C=C\C(=O)NCCSCc1ccccc1C#N ZINC000491893862 406767381 /nfs/dbraw/zinc/76/73/81/406767381.db2.gz PWMVMBNKTBNURJ-YVMONPNESA-N 0 3 303.431 2.025 20 30 DEEDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000491891443 406767605 /nfs/dbraw/zinc/76/76/05/406767605.db2.gz ZDYABFNSTVXFTJ-SBJJXXPASA-N 0 3 313.401 2.155 20 30 DEEDHN Cc1oc2ccccc2c1CNC[C@@H](O)CN(C)CCC#N ZINC000573084728 406769294 /nfs/dbraw/zinc/76/92/94/406769294.db2.gz SIGAZDRUHCIOTF-CQSZACIVSA-N 0 3 301.390 2.037 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1cccs1)C1CC1 ZINC000491778151 406714452 /nfs/dbraw/zinc/71/44/52/406714452.db2.gz XWRIUQGSHLRVDI-HNNXBMFYSA-N 0 3 305.447 2.454 20 30 DEEDHN C=CCOc1ccc(CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000553996461 406779797 /nfs/dbraw/zinc/77/97/97/406779797.db2.gz IZEMOMTVTDTXND-MRXNPFEDSA-N 0 3 317.433 2.392 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000648293102 407153340 /nfs/dbraw/zinc/15/33/40/407153340.db2.gz LOQPOIFXTLPVBU-QGZVFWFLSA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@H]3CN(C)C[C@H]32)c1C ZINC000644735118 407176392 /nfs/dbraw/zinc/17/63/92/407176392.db2.gz QRDPIHAQALHOEV-DOTOQJQBSA-N 0 3 301.434 2.110 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)s1 ZINC000129472985 196051258 /nfs/dbraw/zinc/05/12/58/196051258.db2.gz YXANIWINEXXJMZ-NWDGAFQWSA-N 0 3 306.435 2.050 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000132900384 196294026 /nfs/dbraw/zinc/29/40/26/196294026.db2.gz OXHULLXWZAWGIT-SFHVURJKSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000133916736 196346451 /nfs/dbraw/zinc/34/64/51/196346451.db2.gz SODZZWZSEWZYHG-UHFFFAOYSA-N 0 3 322.206 2.128 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000459784296 287343122 /nfs/dbraw/zinc/34/31/22/287343122.db2.gz XAGJTAGBDQGNHN-UAGQMJEPSA-N 0 3 315.417 2.479 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328761785 287346441 /nfs/dbraw/zinc/34/64/41/287346441.db2.gz YOOZFECVVFFTOY-KGLIPLIRSA-N 0 3 322.453 2.264 20 30 DEEDHN N#CCCCOc1cccc(CN[C@H]2CCCCNC2=O)c1 ZINC000238087461 225213187 /nfs/dbraw/zinc/21/31/87/225213187.db2.gz SILYHJYICNGPEM-INIZCTEOSA-N 0 3 301.390 2.127 20 30 DEEDHN COC[C@@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000269601862 225384275 /nfs/dbraw/zinc/38/42/75/225384275.db2.gz PBDRLOZFGSKWCH-GOSISDBHSA-N 0 3 315.417 2.331 20 30 DEEDHN O=C(NCC1CCN(CCO)CC1)c1cccc(F)c1Cl ZINC000330491625 226010614 /nfs/dbraw/zinc/01/06/14/226010614.db2.gz POJGDGGBILWZBP-UHFFFAOYSA-N 0 3 314.788 2.488 20 30 DEEDHN COCC(C)(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000330921986 226043633 /nfs/dbraw/zinc/04/36/33/226043633.db2.gz QWOBGXXCLAOSEO-GDBMZVCRSA-N 0 3 319.449 2.436 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000331025917 226052387 /nfs/dbraw/zinc/05/23/87/226052387.db2.gz WFSSUKKLUZAWDN-KGLIPLIRSA-N 0 3 310.442 2.412 20 30 DEEDHN COCCN1CCC(NC(=O)NCc2cscc2C)CC1 ZINC000331140713 226063981 /nfs/dbraw/zinc/06/39/81/226063981.db2.gz KFSHLRGNUNAOKO-UHFFFAOYSA-N 0 3 311.451 2.171 20 30 DEEDHN N#CCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000331183120 226067458 /nfs/dbraw/zinc/06/74/58/226067458.db2.gz ZUXHVGOJKMRXGV-CYBMUJFWSA-N 0 3 306.435 2.377 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000331195722 226067647 /nfs/dbraw/zinc/06/76/47/226067647.db2.gz WWPNJBVUCUZGBC-CABCVRRESA-N 0 3 322.355 2.235 20 30 DEEDHN Cc1ccccc1C(C)(C)NCC(=O)N(CCC#N)CCC#N ZINC000339483887 226187668 /nfs/dbraw/zinc/18/76/68/226187668.db2.gz XRPIKHOAQREWBR-UHFFFAOYSA-N 0 3 312.417 2.476 20 30 DEEDHN CN(C(=O)NCC#Cc1cccc(F)c1)[C@H]1CCN(C2CC2)C1 ZINC000338730704 226169668 /nfs/dbraw/zinc/16/96/68/226169668.db2.gz SSKFPWRTSSTBRZ-KRWDZBQOSA-N 0 3 315.392 2.055 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](CO)CC1 ZINC000341049459 226211409 /nfs/dbraw/zinc/21/14/09/226211409.db2.gz NLVOISNTSGMPQZ-DLBZAZTESA-N 0 3 300.402 2.380 20 30 DEEDHN COc1ccc(CN2CCC(CNC(=O)[C@H](C)C#N)CC2)cc1 ZINC000347036530 226629338 /nfs/dbraw/zinc/62/93/38/226629338.db2.gz MIZZIWDGRUIQQQ-CQSZACIVSA-N 0 3 315.417 2.183 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2nc3ccccc3n2CC)CC1 ZINC000050026740 418478557 /nfs/dbraw/zinc/47/85/57/418478557.db2.gz PTYSCYZUCBXTAZ-UHFFFAOYSA-N 0 3 310.401 2.340 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291156452 222179816 /nfs/dbraw/zinc/17/98/16/222179816.db2.gz FJBAKAJIVQEQEA-WOJBJXKFSA-N 0 3 322.408 2.228 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2cc(C)ccc2F)C[C@H]1C ZINC001328262500 1148757289 /nfs/dbraw/zinc/75/72/89/1148757289.db2.gz XQIADQXBZQFOPF-HUUCEWRRSA-N 0 3 318.392 2.115 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)C1(C#N)CCOCC1)c1ccco1 ZINC000359546059 287622637 /nfs/dbraw/zinc/62/26/37/287622637.db2.gz PUSHDXSNDDVWMY-KBPBESRZSA-N 0 3 319.405 2.145 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CCC)[nH]c(=O)c2)[C@H]1C ZINC001088908789 782036847 /nfs/dbraw/zinc/03/68/47/782036847.db2.gz RYHQHKPFNMRNTI-DOMZBBRYSA-N 0 3 303.406 2.118 20 30 DEEDHN Cc1cc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ncc1C#N ZINC000603112385 422443855 /nfs/dbraw/zinc/44/38/55/422443855.db2.gz HQVDKNUSGXAYMH-DZGCQCFKSA-N 0 3 313.405 2.352 20 30 DEEDHN CCN1C[C@@H](C)N(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000330541794 266157857 /nfs/dbraw/zinc/15/78/57/266157857.db2.gz ABPSSRFBLGMVPG-VXGBXAGGSA-N 0 3 318.421 2.121 20 30 DEEDHN CCn1nc(NC(=O)N[C@@H](C)CN2CCCCC2)cc1C1CC1 ZINC000330262678 424909246 /nfs/dbraw/zinc/90/92/46/424909246.db2.gz VJRHXZUEMIOPBN-ZDUSSCGKSA-N 0 3 319.453 2.981 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000566913473 424912680 /nfs/dbraw/zinc/91/26/80/424912680.db2.gz DYXGXJGZVAVPIS-GFCCVEGCSA-N 0 3 318.764 2.955 20 30 DEEDHN CCCCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000341920283 424958013 /nfs/dbraw/zinc/95/80/13/424958013.db2.gz QETLQTQRVOLIMB-CQSZACIVSA-N 0 3 317.393 2.928 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](CO)C[C@H](C)C1 ZINC000420950781 424977485 /nfs/dbraw/zinc/97/74/85/424977485.db2.gz XJXJXHZJEZQJGH-LZLYRXPVSA-N 0 3 319.445 2.105 20 30 DEEDHN CCCC[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1cc(C)on1 ZINC000424132338 424991678 /nfs/dbraw/zinc/99/16/78/424991678.db2.gz WGEICYIGULETRU-MJBXVCDLSA-N 0 3 304.394 2.762 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](c2ccco2)N(CC)CC)n1 ZINC000596093108 425018134 /nfs/dbraw/zinc/01/81/34/425018134.db2.gz QYSJBIZRXXRVOS-CQSZACIVSA-N 0 3 313.405 2.999 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCCC[C@@H]1C)[C@@H](C)COC ZINC000663630301 425201217 /nfs/dbraw/zinc/20/12/17/425201217.db2.gz SJPKNCWFNFQBRU-JYJNAYRXSA-N 0 3 311.470 2.482 20 30 DEEDHN C=C[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660881977 425266304 /nfs/dbraw/zinc/26/63/04/425266304.db2.gz RNPMTJRYDJIMAB-AWEZNQCLSA-N 0 3 302.422 2.167 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000654313975 425325395 /nfs/dbraw/zinc/32/53/95/425325395.db2.gz GDEAKZIYZXVANE-HZPDHXFCSA-N 0 3 306.450 2.492 20 30 DEEDHN N#CC[C@H]1CCCN(CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000661152669 425336961 /nfs/dbraw/zinc/33/69/61/425336961.db2.gz GLDXTBJJCXHMHW-OAHLLOKOSA-N 0 3 313.401 2.001 20 30 DEEDHN C=CCCC(C)(C)NCc1ccc(S(N)(=O)=O)cc1F ZINC000657806381 425402806 /nfs/dbraw/zinc/40/28/06/425402806.db2.gz NEWPBAODTKRBOU-UHFFFAOYSA-N 0 3 300.399 2.308 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)N1CC(C)C1)C(C)C ZINC000654781608 425441642 /nfs/dbraw/zinc/44/16/42/425441642.db2.gz KIGHVHARQPKJNS-IAGOWNOFSA-N 0 3 307.482 2.141 20 30 DEEDHN C=C[C@](C)(O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000665563328 425598279 /nfs/dbraw/zinc/59/82/79/425598279.db2.gz LQVUETADQMDLTB-SFHVURJKSA-N 0 3 302.418 2.226 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)COc1ccccc1C#N ZINC000530233318 267795720 /nfs/dbraw/zinc/79/57/20/267795720.db2.gz DWDMOOLZRIMRIW-RFUYNDQBSA-N 0 3 324.380 2.410 20 30 DEEDHN C=CCC1(NC(=O)c2cccc3c2CCNC3)CCOCC1 ZINC000662875681 425753828 /nfs/dbraw/zinc/75/38/28/425753828.db2.gz WRJNBISPTWPDJJ-UHFFFAOYSA-N 0 3 300.402 2.187 20 30 DEEDHN N#Cc1cccc(NC(=O)NC[C@H]2CCN2C2CCCCC2)n1 ZINC000529125497 268280388 /nfs/dbraw/zinc/28/03/88/268280388.db2.gz UFLWZAUITJGACP-OAHLLOKOSA-N 0 3 313.405 2.482 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000338002729 533687769 /nfs/dbraw/zinc/68/77/69/533687769.db2.gz BEAMZCRPHFZOKZ-OAHLLOKOSA-N 0 3 317.408 2.208 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c(F)c1 ZINC000370860689 269087008 /nfs/dbraw/zinc/08/70/08/269087008.db2.gz JUURCGZERFMJNX-ZWKOTPCHSA-N 0 3 317.408 2.430 20 30 DEEDHN N#Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ncn1 ZINC000515298718 269348362 /nfs/dbraw/zinc/34/83/62/269348362.db2.gz DVVBFIAKROPQPD-DOTOQJQBSA-N 0 3 305.385 2.059 20 30 DEEDHN C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccc(C#N)cc1 ZINC000517559273 269387411 /nfs/dbraw/zinc/38/74/11/269387411.db2.gz ZSGZXZDMLZQXPM-XOKHGSTOSA-N 0 3 312.417 2.355 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1nnc2n1CCCCC2 ZINC000329556270 287679454 /nfs/dbraw/zinc/67/94/54/287679454.db2.gz HHTUKSYBFJRHMI-ZIAGYGMSSA-N 0 3 319.453 2.376 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000459775130 273737061 /nfs/dbraw/zinc/73/70/61/273737061.db2.gz MFJNKMIUQIRNNO-HONMWMINSA-N 0 3 305.378 2.252 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ncc(C#N)cc1Cl ZINC000427909571 274219039 /nfs/dbraw/zinc/21/90/39/274219039.db2.gz CANRUVYDSZIJQC-RYUDHWBXSA-N 0 3 320.824 2.457 20 30 DEEDHN C[C@@H](O)CN1CCN(CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000192816549 274269603 /nfs/dbraw/zinc/26/96/03/274269603.db2.gz PECCIGRFQDIVAB-LSDHHAIUSA-N 0 3 306.837 2.078 20 30 DEEDHN Cc1cc(NC(=O)NC[C@H](C)N(C)C)c(C#N)cc1N(C)C ZINC000417148817 274716713 /nfs/dbraw/zinc/71/67/13/274716713.db2.gz DOXJWEJWXAPQHF-LBPRGKRZSA-N 0 3 303.410 2.004 20 30 DEEDHN CS[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000275154329 277529483 /nfs/dbraw/zinc/52/94/83/277529483.db2.gz SODCMOSWKUZADQ-CVEARBPZSA-N 0 3 315.442 2.210 20 30 DEEDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000193920207 277572272 /nfs/dbraw/zinc/57/22/72/277572272.db2.gz ZIQYWJHCJJALKY-KBPBESRZSA-N 0 3 301.390 2.250 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000291464975 277909424 /nfs/dbraw/zinc/90/94/24/277909424.db2.gz DKQNXCIQKAPFJQ-GDBMZVCRSA-N 0 3 310.825 2.386 20 30 DEEDHN CS(=O)(=O)C1(CN[C@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353599291 278104044 /nfs/dbraw/zinc/10/40/44/278104044.db2.gz WTTVKDOSZRQQBD-INIZCTEOSA-N 0 3 318.442 2.493 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@H]1C ZINC001088924545 782051454 /nfs/dbraw/zinc/05/14/54/782051454.db2.gz ZJMQRRRDLKDTAX-DFBGVHRSSA-N 0 3 304.438 2.285 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@H]1C ZINC001088957543 782079880 /nfs/dbraw/zinc/07/98/80/782079880.db2.gz IGTJMRMLMNVNNG-NEPJUHHUSA-N 0 3 301.415 2.445 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccccc2C)C[C@H]1C ZINC001328283371 1148765020 /nfs/dbraw/zinc/76/50/20/1148765020.db2.gz KTHYXNCDSZZSRY-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000573418010 326054464 /nfs/dbraw/zinc/05/44/64/326054464.db2.gz HLGZSNZETYKYCK-UHFFFAOYSA-N 0 3 324.432 2.274 20 30 DEEDHN CN(C)CCN(CCCc1ccccc1)c1ccnc(C#N)n1 ZINC000575330686 326235040 /nfs/dbraw/zinc/23/50/40/326235040.db2.gz CXFIUDUKWUQNPP-UHFFFAOYSA-N 0 3 309.417 2.349 20 30 DEEDHN CC1(C)[C@H](NCC(=O)Nc2sccc2C#N)[C@H]2CCCO[C@@H]21 ZINC000577187563 326348633 /nfs/dbraw/zinc/34/86/33/326348633.db2.gz OHSAMACANSRABI-BNOWGMLFSA-N 0 3 319.430 2.351 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000255672905 331787408 /nfs/dbraw/zinc/78/74/08/331787408.db2.gz MPMSUXZZVNVFIT-BJIFSAINSA-N 0 3 313.401 2.155 20 30 DEEDHN N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569420044 332079198 /nfs/dbraw/zinc/07/91/98/332079198.db2.gz LMRQJWWWEOOHAE-ZWKOTPCHSA-N 0 3 311.429 2.456 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583419728 332397741 /nfs/dbraw/zinc/39/77/41/332397741.db2.gz YJADMBYKKZLWIG-HOTGVXAUSA-N 0 3 323.481 2.483 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)NCC1(C#N)CC1)c1ccco1 ZINC000561523678 332459991 /nfs/dbraw/zinc/45/99/91/332459991.db2.gz UQFHJDLUFDWBLM-QWHCGFSZSA-N 0 3 304.394 2.312 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000569902126 332690995 /nfs/dbraw/zinc/69/09/95/332690995.db2.gz PMSYEDQIBKZFPJ-HIFRSBDPSA-N 0 3 317.437 2.229 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000580280422 333055396 /nfs/dbraw/zinc/05/53/96/333055396.db2.gz FQIQLHNFVMLFBW-CVEARBPZSA-N 0 3 307.438 2.060 20 30 DEEDHN O=C(NCCN[C@H](c1ccccc1)C1CC1)C1N=CC=CC1=O ZINC000180177304 333159405 /nfs/dbraw/zinc/15/94/05/333159405.db2.gz KVHPQYIJQJNULU-OTZFSBHDSA-N 0 3 311.385 2.254 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000563887963 335127430 /nfs/dbraw/zinc/12/74/30/335127430.db2.gz CQKPOSDTQRNWNV-OAHLLOKOSA-N 0 3 324.465 2.367 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000563427273 333606530 /nfs/dbraw/zinc/60/65/30/333606530.db2.gz MLPBLUFIRKOVSB-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN CC(C)(CC#N)CNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419763599 337491907 /nfs/dbraw/zinc/49/19/07/337491907.db2.gz ADBKMCZOVNQXKF-UHFFFAOYSA-N 0 3 315.826 2.017 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccccc2F)CC1 ZINC000264383298 337632568 /nfs/dbraw/zinc/63/25/68/337632568.db2.gz IXAATVYJGVKZRI-UHFFFAOYSA-N 0 3 305.397 2.318 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](O)CCc2ccccc2)CC1 ZINC000271002334 337643487 /nfs/dbraw/zinc/64/34/87/337643487.db2.gz HOJWQQXNNMVVFL-GOSISDBHSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000429724009 338088362 /nfs/dbraw/zinc/08/83/62/338088362.db2.gz VTQCBKWKQMEAAI-MRXNPFEDSA-N 0 3 320.481 2.157 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](O)C1(C)C)C(C)C ZINC000429941514 338092511 /nfs/dbraw/zinc/09/25/11/338092511.db2.gz KAZQLVOCYKYLDX-PMPSAXMXSA-N 0 3 323.481 2.144 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496319295 340002993 /nfs/dbraw/zinc/00/29/93/340002993.db2.gz DOJPJCOFYLRIGH-YNEHKIRRSA-N 0 3 309.410 2.155 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496366460 340004002 /nfs/dbraw/zinc/00/40/02/340004002.db2.gz UFENOSBGNCXRKH-RBSFLKMASA-N 0 3 323.437 2.246 20 30 DEEDHN C=CCOCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496765491 340012384 /nfs/dbraw/zinc/01/23/84/340012384.db2.gz FQGYLMNKFHYQNS-LSDHHAIUSA-N 0 3 310.438 2.378 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CCC3(COC(=O)N3)CC2)cc1 ZINC000497017572 340018349 /nfs/dbraw/zinc/01/83/49/340018349.db2.gz OZLNITWOZOPNGH-ZDUSSCGKSA-N 0 3 315.373 2.052 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000512447581 340362218 /nfs/dbraw/zinc/36/22/18/340362218.db2.gz MOCJLGJGHLWSMO-USXIJHARSA-N 0 3 314.433 2.418 20 30 DEEDHN CN(C)[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000517233843 340466218 /nfs/dbraw/zinc/46/62/18/340466218.db2.gz FIYCDGBVSFLEAE-HUUCEWRRSA-N 0 3 322.840 2.080 20 30 DEEDHN CN(C(=O)CN[C@H](CO)C1CCCCC1)C1(C#N)CCCCC1 ZINC000542912267 341026196 /nfs/dbraw/zinc/02/61/96/341026196.db2.gz IOKHGWWKRPTPLO-MRXNPFEDSA-N 0 3 321.465 2.202 20 30 DEEDHN CC[C@H](CC#N)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000545862818 341143487 /nfs/dbraw/zinc/14/34/87/341143487.db2.gz AOSPIRAQQGSRBC-HZPDHXFCSA-N 0 3 300.406 2.102 20 30 DEEDHN C=CCCC(=O)NC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001357087842 1152240713 /nfs/dbraw/zinc/24/07/13/1152240713.db2.gz LGMRMYHTDONXQI-CVEARBPZSA-N 0 3 323.481 2.082 20 30 DEEDHN CCN(CCO)c1ccc(C=NN[C@@H]2CCOC2(C)C)c(C)c1 ZINC000835014452 649866562 /nfs/dbraw/zinc/86/65/62/649866562.db2.gz RYIBSMSGOJVCBX-QGZVFWFLSA-N 0 3 319.449 2.305 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC001357397814 1152295898 /nfs/dbraw/zinc/29/58/98/1152295898.db2.gz WJRFSTAFMKKZQR-CYBMUJFWSA-N 0 3 302.378 2.052 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC001357546167 1152310226 /nfs/dbraw/zinc/31/02/26/1152310226.db2.gz PVUPZIDAJCFUFB-HOTGVXAUSA-N 0 3 321.465 2.110 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2[nH]cnc2CC)CCCC1 ZINC001378383662 1152312266 /nfs/dbraw/zinc/31/22/66/1152312266.db2.gz QNOLRQOYNVSQLU-UHFFFAOYSA-N 0 3 310.829 2.357 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC001357892385 1152346548 /nfs/dbraw/zinc/34/65/48/1152346548.db2.gz RMOMQCFLEJGGMW-CQSZACIVSA-N 0 3 304.438 2.015 20 30 DEEDHN CCCC[C@H](CNCC#CCOC)NC(=O)c1ccc(F)cc1 ZINC001329874551 1149007442 /nfs/dbraw/zinc/00/74/42/1149007442.db2.gz IGKIKZOMNKFBOH-QGZVFWFLSA-N 0 3 320.408 2.354 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCc1nc(C)cs1 ZINC001329922829 1149016178 /nfs/dbraw/zinc/01/61/78/1149016178.db2.gz GMHAOTCPRBSGQH-OAHLLOKOSA-N 0 3 319.474 2.378 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cn2ccc3ccccc32)[C@H]1C ZINC001089048449 782136136 /nfs/dbraw/zinc/13/61/36/782136136.db2.gz MKZRMBGIGIDUKN-WBVHZDCISA-N 0 3 309.413 2.244 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001398891375 1161138796 /nfs/dbraw/zinc/13/87/96/1161138796.db2.gz MRXDWIJTHXFITJ-FZMZJTMJSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cnc(COC)s2)[C@H]1C ZINC001089078632 782154100 /nfs/dbraw/zinc/15/41/00/782154100.db2.gz PAKHRWDYDIROGC-OLZOCXBDSA-N 0 3 323.462 2.448 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001330054770 1149041954 /nfs/dbraw/zinc/04/19/54/1149041954.db2.gz QTPWXGUOCUKNGM-NSHDSACASA-N 0 3 324.346 2.106 20 30 DEEDHN C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000292455550 533836368 /nfs/dbraw/zinc/83/63/68/533836368.db2.gz SZTONDFQURMTIT-OAHLLOKOSA-N 0 3 311.429 2.434 20 30 DEEDHN C[C@H](CNC(=O)N(C)C[C@H](C)C#N)N(C)Cc1ccccc1 ZINC000264783902 534081436 /nfs/dbraw/zinc/08/14/36/534081436.db2.gz PZYZPFHYYZEDQQ-HUUCEWRRSA-N 0 3 302.422 2.308 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]([C@H](C)NCc2cncc(C)c2)C1 ZINC001330381964 1149103744 /nfs/dbraw/zinc/10/37/44/1149103744.db2.gz GVHPIEQEQWCYGP-RDJZCZTQSA-N 0 3 317.433 2.062 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCn2nc(C)cc2C)C1 ZINC001378865826 1152472478 /nfs/dbraw/zinc/47/24/78/1152472478.db2.gz SKNMGGTUWWYDGT-SHTZXODSSA-N 0 3 324.856 2.127 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000451605361 534609924 /nfs/dbraw/zinc/60/99/24/534609924.db2.gz JWJGLLHIFINQSU-OIISXLGYSA-N 0 3 302.418 2.275 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458290496 534630873 /nfs/dbraw/zinc/63/08/73/534630873.db2.gz NAKLZKWIVQNLFC-MRXNPFEDSA-N 0 3 310.369 2.032 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000331195736 534741546 /nfs/dbraw/zinc/74/15/46/534741546.db2.gz WWPNJBVUCUZGBC-GJZGRUSLSA-N 0 3 322.355 2.235 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000193354850 534782684 /nfs/dbraw/zinc/78/26/84/534782684.db2.gz NXFDIXXEXXXNGB-KSZLIROESA-N 0 3 322.412 2.331 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000246287582 524898660 /nfs/dbraw/zinc/89/86/60/524898660.db2.gz KODPIEWNIXSFSE-CZUORRHYSA-N 0 3 300.406 2.040 20 30 DEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NC1CC1 ZINC000449109389 534839340 /nfs/dbraw/zinc/83/93/40/534839340.db2.gz WGJUZOAVIYPHLP-LBPRGKRZSA-N 0 3 303.362 2.250 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1ccccc1C#N ZINC000245751348 525559699 /nfs/dbraw/zinc/55/96/99/525559699.db2.gz BUTTTXAULGZJKZ-JFOHDYCDSA-N 0 3 313.401 2.432 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000248932126 526073295 /nfs/dbraw/zinc/07/32/95/526073295.db2.gz MNQYDHICRMHRGW-LSDHHAIUSA-N 0 3 301.434 2.396 20 30 DEEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339158362 526372110 /nfs/dbraw/zinc/37/21/10/526372110.db2.gz RBECUJWJQXWNAC-KEYYUXOJSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)OC(C)(C)C2)CC1 ZINC000188092854 526425152 /nfs/dbraw/zinc/42/51/52/526425152.db2.gz RYJZVZBLGVZMHI-UHFFFAOYSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](OCC3CC3)C2)CC1 ZINC000373546194 526427690 /nfs/dbraw/zinc/42/76/90/526427690.db2.gz XUHAHEHSOXJKNW-KRWDZBQOSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000413236539 526438753 /nfs/dbraw/zinc/43/87/53/526438753.db2.gz KCTAFYJIZZTSGZ-CXAGYDPISA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)CC1 ZINC000373459046 526589391 /nfs/dbraw/zinc/58/93/91/526589391.db2.gz KUOHPSJLAPUITI-PBHICJAKSA-N 0 3 321.465 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2nccs2)CC1 ZINC000106268331 526591137 /nfs/dbraw/zinc/59/11/37/526591137.db2.gz WKXGNNWLTQKKCQ-UHFFFAOYSA-N 0 3 308.451 2.025 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCO[C@H](C)C2)CC1 ZINC000334002150 526591732 /nfs/dbraw/zinc/59/17/32/526591732.db2.gz JRTYLJVOIZVEDY-CABCVRRESA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CS(=O)(=O)N(CCC)CCN1CCCCCC1 ZINC000341907351 526673328 /nfs/dbraw/zinc/67/33/28/526673328.db2.gz ZMSWZSHJQDAHND-UHFFFAOYSA-N 0 3 302.484 2.480 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000342023053 526708278 /nfs/dbraw/zinc/70/82/78/526708278.db2.gz ASSFQFMEUBXQAU-JKSUJKDBSA-N 0 3 307.482 2.216 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000369757140 526723292 /nfs/dbraw/zinc/72/32/92/526723292.db2.gz KBQAHLCOFVTUOW-RDTXWAMCSA-N 0 3 312.413 2.155 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000294908533 526738837 /nfs/dbraw/zinc/73/88/37/526738837.db2.gz JUNCZGLDWQZMIH-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C=CCOCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000294451107 526781730 /nfs/dbraw/zinc/78/17/30/526781730.db2.gz FVTWFRSYAMMJRX-ZDUSSCGKSA-N 0 3 300.196 2.275 20 30 DEEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1ccccn1)OCC ZINC000339353860 526806131 /nfs/dbraw/zinc/80/61/31/526806131.db2.gz BDXWQKAENKBQEY-KRWDZBQOSA-N 0 3 319.449 2.343 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCSc2ccccc21 ZINC000297599605 526819086 /nfs/dbraw/zinc/81/90/86/526819086.db2.gz ZAZHAGUMSDIMJU-OAHLLOKOSA-N 0 3 317.458 2.478 20 30 DEEDHN C=CCOc1ccc(CC(=O)NCCN(CC)C2CC2)cc1 ZINC000294472328 526858271 /nfs/dbraw/zinc/85/82/71/526858271.db2.gz FGPFLCTVHWLVRT-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)COc2cccc(F)c2)CC1 ZINC000299370315 526928795 /nfs/dbraw/zinc/92/87/95/526928795.db2.gz VNBGDNVFDIBGNB-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1 ZINC000294112189 526933148 /nfs/dbraw/zinc/93/31/48/526933148.db2.gz JZOOGWSAPNBBHM-KRWDZBQOSA-N 0 3 312.413 2.474 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1 ZINC000299454903 526933796 /nfs/dbraw/zinc/93/37/96/526933796.db2.gz TXTHNIIGPMJXPT-ZDUSSCGKSA-N 0 3 300.406 2.138 20 30 DEEDHN C#CCNC(=O)CCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000292681957 526975264 /nfs/dbraw/zinc/97/52/64/526975264.db2.gz BVIAYGGPVPBKJQ-UHFFFAOYSA-N 0 3 312.413 2.314 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000245874871 527066820 /nfs/dbraw/zinc/06/68/20/527066820.db2.gz GTJPUSASSUELPO-PBHICJAKSA-N 0 3 320.458 2.287 20 30 DEEDHN C#CCO[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000295827216 527075885 /nfs/dbraw/zinc/07/58/85/527075885.db2.gz MHXKRHGDGKSWAL-LBPRGKRZSA-N 0 3 324.808 2.257 20 30 DEEDHN C=CCCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000448033124 527217293 /nfs/dbraw/zinc/21/72/93/527217293.db2.gz YPWFQNDXYHFUMT-HZPDHXFCSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CC[C@H]1N(CC(=O)N(C)CC(=O)NCCC)CCCC1(C)C ZINC000444788798 527226618 /nfs/dbraw/zinc/22/66/18/527226618.db2.gz XVTFLRSBFSVPMD-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000337837329 527359099 /nfs/dbraw/zinc/35/90/99/527359099.db2.gz CTSICOOIYZCLDB-HUUCEWRRSA-N 0 3 319.453 2.092 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000411636658 527573477 /nfs/dbraw/zinc/57/34/77/527573477.db2.gz DSUQQBSMQZDHAW-OAHLLOKOSA-N 0 3 321.440 2.443 20 30 DEEDHN CCN1C[C@@H](C)N(CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000330800881 527931318 /nfs/dbraw/zinc/93/13/18/527931318.db2.gz AFKXXEAQTCPZAL-GASCZTMLSA-N 0 3 314.433 2.301 20 30 DEEDHN CC(C)OCCCNC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338907235 527941598 /nfs/dbraw/zinc/94/15/98/527941598.db2.gz IILOOYGCGHWXCM-DOTOQJQBSA-N 0 3 321.465 2.322 20 30 DEEDHN CCCCCCCCC(=O)N=c1nc(C2CC[NH2+]CC2)[n-]n1C ZINC000369542581 528122653 /nfs/dbraw/zinc/12/26/53/528122653.db2.gz VIORQKFTHYCSSX-UHFFFAOYSA-N 0 3 321.469 2.393 20 30 DEEDHN CCC[C@H](NC(=O)C(C)C#N)C(=O)N1CCc2sccc2C1 ZINC000345775694 528195372 /nfs/dbraw/zinc/19/53/72/528195372.db2.gz IXLBXKZQXULLRV-AAEUAGOBSA-N 0 3 319.430 2.077 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)C2CCOCC2)c([O-])c1 ZINC000265563951 528292779 /nfs/dbraw/zinc/29/27/79/528292779.db2.gz ZCEVGUTUNGTQMN-LSCADSNKSA-N 0 3 320.433 2.445 20 30 DEEDHN CC(C)[C@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)N(C)C ZINC000374361943 528910739 /nfs/dbraw/zinc/91/07/39/528910739.db2.gz XZFHNBYWUBESPL-MRXNPFEDSA-N 0 3 314.433 2.052 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000333280353 529010617 /nfs/dbraw/zinc/01/06/17/529010617.db2.gz ITOFYMZXHQAXRG-GPANFISMSA-N 0 3 306.454 2.490 20 30 DEEDHN CC(C)N(CCN(C)S(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000355779112 535063894 /nfs/dbraw/zinc/06/38/94/535063894.db2.gz FACHKQVYRZHEHG-UHFFFAOYSA-N 0 3 323.462 2.298 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2ccc(C#N)cc2F)CC1 ZINC000449745324 535674592 /nfs/dbraw/zinc/67/45/92/535674592.db2.gz MUZRKISKVBQJSM-UHFFFAOYSA-N 0 3 318.440 2.203 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2ccccc2C#N)CC1 ZINC000449748133 535675084 /nfs/dbraw/zinc/67/50/84/535675084.db2.gz ZVDPQTAEOMPUOM-UHFFFAOYSA-N 0 3 300.450 2.064 20 30 DEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000348155921 536390761 /nfs/dbraw/zinc/39/07/61/536390761.db2.gz CSOIXGOBBSEPAW-STQMWFEESA-N 0 3 323.343 2.164 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C(C)C ZINC001378961975 1152508033 /nfs/dbraw/zinc/50/80/33/1152508033.db2.gz PIBVCDPPOKQUCA-UKRRQHHQSA-N 0 3 302.846 2.020 20 30 DEEDHN Cc1oc(NC(=O)CNC2([C@H]3CCCO3)CCC2)c(C#N)c1C ZINC001414062269 1152562033 /nfs/dbraw/zinc/56/20/33/1152562033.db2.gz IPHLNXPSSUBOMA-CQSZACIVSA-N 0 3 317.389 2.398 20 30 DEEDHN C#CCO[C@@H](C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000835247186 649895954 /nfs/dbraw/zinc/89/59/54/649895954.db2.gz ZOIPEENILHZORE-AWEZNQCLSA-N 0 3 305.374 2.073 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)[C@H](C)C1CC1 ZINC001379356553 1152614487 /nfs/dbraw/zinc/61/44/87/1152614487.db2.gz CDILYNFJPKSZRQ-CHWSQXEVSA-N 0 3 315.417 2.207 20 30 DEEDHN Clc1cc(N=NC2CC[N@@H+]3CCC[C@H]23)ccc1-c1nnn[n-]1 ZINC000826351716 609472682 /nfs/dbraw/zinc/47/26/82/609472682.db2.gz XKVUOMPYDDCPKZ-CYBMUJFWSA-N 0 3 317.784 2.156 20 30 DEEDHN Clc1cc(N=NC2CC[N@H+]3CCC[C@H]23)ccc1-c1nnn[n-]1 ZINC000826351716 609472684 /nfs/dbraw/zinc/47/26/84/609472684.db2.gz XKVUOMPYDDCPKZ-CYBMUJFWSA-N 0 3 317.784 2.156 20 30 DEEDHN Clc1cc(N=NC2CC[N@@H+]3CCC[C@H]23)ccc1-c1nn[n-]n1 ZINC000826351716 609472687 /nfs/dbraw/zinc/47/26/87/609472687.db2.gz XKVUOMPYDDCPKZ-CYBMUJFWSA-N 0 3 317.784 2.156 20 30 DEEDHN Clc1cc(N=NC2CC[N@H+]3CCC[C@H]23)ccc1-c1nn[n-]n1 ZINC000826351716 609472689 /nfs/dbraw/zinc/47/26/89/609472689.db2.gz XKVUOMPYDDCPKZ-CYBMUJFWSA-N 0 3 317.784 2.156 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001025224712 625281572 /nfs/dbraw/zinc/28/15/72/625281572.db2.gz UMJGHUJQXLZKGM-HZPDHXFCSA-N 0 3 300.406 2.122 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001025223718 625285530 /nfs/dbraw/zinc/28/55/30/625285530.db2.gz FPIVZDGRIHQPHI-IAGOWNOFSA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cncs1 ZINC001025243536 625300157 /nfs/dbraw/zinc/30/01/57/625300157.db2.gz OIJLDGKFAYWBHB-HOTGVXAUSA-N 0 3 317.458 2.164 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnc3ccsc3c2)C1 ZINC001023529580 625310508 /nfs/dbraw/zinc/31/05/08/625310508.db2.gz HDLDZFNHMMTUAI-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001023561681 625326007 /nfs/dbraw/zinc/32/60/07/625326007.db2.gz FIGVPVHJQZQTPW-CQSZACIVSA-N 0 3 310.401 2.028 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001025285380 625326267 /nfs/dbraw/zinc/32/62/67/625326267.db2.gz UIAZTBYPJOHHQG-JKSUJKDBSA-N 0 3 300.406 2.122 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccnc(C)n1 ZINC001025302971 625330194 /nfs/dbraw/zinc/33/01/94/625330194.db2.gz ZPEUJQUUUWXSRI-IRXDYDNUSA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1nonc1C ZINC001025305227 625333145 /nfs/dbraw/zinc/33/31/45/625333145.db2.gz UYZYJJFOCLWUDQ-KBPBESRZSA-N 0 3 304.394 2.023 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ncsc2C2CC2)C1 ZINC001023590896 625337127 /nfs/dbraw/zinc/33/71/27/625337127.db2.gz IXWWVJCPNHOCOT-GFCCVEGCSA-N 0 3 303.431 2.096 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)c2ncc[nH]2)CCN1Cc1ccc(C#N)cc1 ZINC000947297126 625344524 /nfs/dbraw/zinc/34/45/24/625344524.db2.gz RXOUZHWDUUQSHP-XJKSGUPXSA-N 0 3 323.400 2.064 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc3c2OCC3)C1 ZINC001023611851 625348282 /nfs/dbraw/zinc/34/82/82/625348282.db2.gz XAOQCIUCVZWTAY-HNNXBMFYSA-N 0 3 312.413 2.087 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972609586 625354176 /nfs/dbraw/zinc/35/41/76/625354176.db2.gz BTSPWDWXUDDGBV-OAHLLOKOSA-N 0 3 313.873 2.004 20 30 DEEDHN C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025344021 625370892 /nfs/dbraw/zinc/37/08/92/625370892.db2.gz HMUIVZRAQGEXEM-GJZGRUSLSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001025344021 625370893 /nfs/dbraw/zinc/37/08/93/625370893.db2.gz HMUIVZRAQGEXEM-GJZGRUSLSA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001023643114 625370034 /nfs/dbraw/zinc/37/00/34/625370034.db2.gz PANRWTIJFNRKGE-HNNXBMFYSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2sc(CC)nc2C)C1 ZINC001023645797 625372013 /nfs/dbraw/zinc/37/20/13/625372013.db2.gz CGMWWDQRCOZCNR-CYBMUJFWSA-N 0 3 305.447 2.089 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC000972630454 625376817 /nfs/dbraw/zinc/37/68/17/625376817.db2.gz AFKIVFUZZNQPEV-CYBMUJFWSA-N 0 3 316.430 2.471 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN(C[C@@H](F)CC)C2)nc1 ZINC001023708341 625396157 /nfs/dbraw/zinc/39/61/57/625396157.db2.gz BLJXUBUKNCHBON-CVEARBPZSA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC001023691125 625390113 /nfs/dbraw/zinc/39/01/13/625390113.db2.gz GEQQRCWIEVVBJQ-CQSZACIVSA-N 0 3 303.406 2.263 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN(C[C@H](F)CC)C2)nc1 ZINC001023708343 625395774 /nfs/dbraw/zinc/39/57/74/625395774.db2.gz BLJXUBUKNCHBON-HZPDHXFCSA-N 0 3 317.408 2.253 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(F)cn2)C1 ZINC001025396592 625402396 /nfs/dbraw/zinc/40/23/96/625402396.db2.gz HRCJWEASJKQRQG-KBPBESRZSA-N 0 3 303.381 2.074 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C[C@H]1C ZINC000947679572 625408533 /nfs/dbraw/zinc/40/85/33/625408533.db2.gz MMGVQTUQZQXXCZ-CZUORRHYSA-N 0 3 304.821 2.485 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2sc(CCC)nc2C)C1 ZINC001023745798 625420403 /nfs/dbraw/zinc/42/04/03/625420403.db2.gz FKZODLSUCQHWHT-CQSZACIVSA-N 0 3 319.474 2.479 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2ncccc2OCC)C1 ZINC001023780460 625436630 /nfs/dbraw/zinc/43/66/30/625436630.db2.gz UDWZAPLWFKLHAS-AWEZNQCLSA-N 0 3 303.406 2.108 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ncc(F)cc2F)C1 ZINC001025455799 625448437 /nfs/dbraw/zinc/44/84/37/625448437.db2.gz LWNNXVMSTSKTAY-OLZOCXBDSA-N 0 3 321.371 2.213 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3ncn(C)c32)C1 ZINC001025463880 625458392 /nfs/dbraw/zinc/45/83/92/625458392.db2.gz OKHIIPWHBPUZLK-CABCVRRESA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)C[C@H]1C ZINC000947685852 625453001 /nfs/dbraw/zinc/45/30/01/625453001.db2.gz QBKNNPJRCOEQAY-PBHICJAKSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC000972704932 625483949 /nfs/dbraw/zinc/48/39/49/625483949.db2.gz WILNNXXKXYOBMG-UKRRQHHQSA-N 0 3 304.438 2.495 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc3c[nH]nc32)C1 ZINC001025501342 625486555 /nfs/dbraw/zinc/48/65/55/625486555.db2.gz CRSZCYBZLGNXMC-HIFRSBDPSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2OC)C[C@@H]1C ZINC000947598395 625491208 /nfs/dbraw/zinc/49/12/08/625491208.db2.gz NCBYQSVFKUMNLF-DZGCQCFKSA-N 0 3 318.392 2.440 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ocnc2CC)C1 ZINC001025526940 625508981 /nfs/dbraw/zinc/50/89/81/625508981.db2.gz BZEHZYHGSYWSGH-ZIAGYGMSSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H](C)[C@H]2CCCN(CC#C)C2)cc1 ZINC001025549247 625529535 /nfs/dbraw/zinc/52/95/35/625529535.db2.gz MSYNIKSEVNOTQO-AEFFLSMTSA-N 0 3 324.424 2.162 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2nc(C)oc2C)C1 ZINC001025574041 625578302 /nfs/dbraw/zinc/57/83/02/625578302.db2.gz QFOYQSUZHILTMP-SWLSCSKDSA-N 0 3 303.406 2.145 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC000969151191 622590801 /nfs/dbraw/zinc/59/08/01/622590801.db2.gz RSGPYZKKZVOEIW-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)ccnc2OCC)C1 ZINC001020431775 622636117 /nfs/dbraw/zinc/63/61/17/622636117.db2.gz ZFCFJTSIJAJWGG-JOCQHMNTSA-N 0 3 323.824 2.392 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001020433610 622639477 /nfs/dbraw/zinc/63/94/77/622639477.db2.gz NCRVISCVMIBKPS-ZKCHVHJHSA-N 0 3 323.702 2.296 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001025579015 625584361 /nfs/dbraw/zinc/58/43/61/625584361.db2.gz ZNIOKEGTUIBVGJ-CJNGLKHVSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001024092696 625587030 /nfs/dbraw/zinc/58/70/30/625587030.db2.gz GMQQOHWMUPBDRR-JSGCOSHPSA-N 0 3 319.453 2.215 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](N[C@H](C)c3cnccn3)C2)C1 ZINC001020562957 622856462 /nfs/dbraw/zinc/85/64/62/622856462.db2.gz XGZHHEJGMWBMEF-MGPQQGTHSA-N 0 3 300.406 2.131 20 30 DEEDHN C=C(Cl)CN1CC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000969659791 622871775 /nfs/dbraw/zinc/87/17/75/622871775.db2.gz KLCIWJPUQNSXHO-DZGCQCFKSA-N 0 3 313.873 2.048 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c[nH]c3cccnc32)C1 ZINC001025592363 625606617 /nfs/dbraw/zinc/60/66/17/625606617.db2.gz OFKLTAQPULDXSI-KBPBESRZSA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)C3(CF)CC3)C2)ccc1F ZINC000969896199 622983340 /nfs/dbraw/zinc/98/33/40/622983340.db2.gz IUAKZNHTKSFVFN-CQSZACIVSA-N 0 3 319.355 2.138 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC000969992051 623041826 /nfs/dbraw/zinc/04/18/26/623041826.db2.gz JJAOOCGNTYPLNN-CYBMUJFWSA-N 0 3 312.417 2.200 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC000970058340 623083613 /nfs/dbraw/zinc/08/36/13/623083613.db2.gz PBXRQNFXFPYHOA-OAHLLOKOSA-N 0 3 314.429 2.385 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccccc2COC)C1 ZINC001020726671 623100317 /nfs/dbraw/zinc/10/03/17/623100317.db2.gz RECURLCEHWAGRJ-WKILWMFISA-N 0 3 322.836 2.365 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000970084311 623102957 /nfs/dbraw/zinc/10/29/57/623102957.db2.gz VMPWGBWHBYWNLA-OAHLLOKOSA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2sccc2OC)C1 ZINC001025602219 625625286 /nfs/dbraw/zinc/62/52/86/625625286.db2.gz ZRYMGWHCZGNSRQ-STQMWFEESA-N 0 3 306.431 2.220 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001020914201 623186358 /nfs/dbraw/zinc/18/63/58/623186358.db2.gz AGFRUCJPKBEGIF-JOCQHMNTSA-N 0 3 310.829 2.375 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001020973129 623228950 /nfs/dbraw/zinc/22/89/50/623228950.db2.gz HMQWAWWKAXFASC-WKILWMFISA-N 0 3 320.820 2.249 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC000970170464 623270819 /nfs/dbraw/zinc/27/08/19/623270819.db2.gz SIAFXGNQDORTOE-FZKQIMNGSA-N 0 3 314.404 2.315 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000970381522 623431025 /nfs/dbraw/zinc/43/10/25/623431025.db2.gz JXHQPFPCRRRLRF-GFCCVEGCSA-N 0 3 300.383 2.445 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(COC(C)C)cc2)C1 ZINC000970689358 623617732 /nfs/dbraw/zinc/61/77/32/623617732.db2.gz QCECFWJOMJYRDM-QGZVFWFLSA-N 0 3 300.402 2.049 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC000970689620 623618007 /nfs/dbraw/zinc/61/80/07/623618007.db2.gz VGCVGOUEFSITKV-GXTWGEPZSA-N 0 3 302.443 2.310 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000970734237 623649112 /nfs/dbraw/zinc/64/91/12/623649112.db2.gz CUKCLKVOCGMCBZ-OAHLLOKOSA-N 0 3 309.413 2.321 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C)oc2C)C1 ZINC001021516706 623697128 /nfs/dbraw/zinc/69/71/28/623697128.db2.gz ODMWASWMVSAQEB-WBVHZDCISA-N 0 3 300.402 2.456 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(C)noc2C)C1 ZINC001021516698 623697377 /nfs/dbraw/zinc/69/73/77/623697377.db2.gz OCRJEPROPXADGM-JKSUJKDBSA-N 0 3 315.417 2.241 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3ncsc3c2)C1 ZINC000970837499 623735036 /nfs/dbraw/zinc/73/50/36/623735036.db2.gz FANAVODOPPWQQP-GFCCVEGCSA-N 0 3 313.426 2.370 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2cscc2C(F)(F)F)C1 ZINC000970886865 623760927 /nfs/dbraw/zinc/76/09/27/623760927.db2.gz FGFWYHIVAPGQDO-SECBINFHSA-N 0 3 302.321 2.204 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccc[nH]2)C1 ZINC001021571312 623773658 /nfs/dbraw/zinc/77/36/58/623773658.db2.gz DKESCKRWLKBASN-IRZMVBRHSA-N 0 3 311.429 2.364 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2c(C)coc2C)C1 ZINC001021579098 623782750 /nfs/dbraw/zinc/78/27/50/623782750.db2.gz RTAZEPPNFKCPNK-HOTGVXAUSA-N 0 3 300.402 2.456 20 30 DEEDHN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245839 623789848 /nfs/dbraw/zinc/78/98/48/623789848.db2.gz JUQNXWUMBJEDGX-BBRMVZONSA-N 0 3 302.422 2.021 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cncc3ccccc32)C1 ZINC000970922580 623794682 /nfs/dbraw/zinc/79/46/82/623794682.db2.gz YWLZJQNHZQPTOZ-CQSZACIVSA-N 0 3 307.397 2.308 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@H]2CCCCN2CC)C1 ZINC000970929628 623799397 /nfs/dbraw/zinc/79/93/97/623799397.db2.gz RMSFLNOVNUKQPI-UKRRQHHQSA-N 0 3 313.873 2.050 20 30 DEEDHN C=C(Cl)CN1CC([C@H](C)NC(=O)[C@H]2CCCCN2CC)C1 ZINC000970929626 623799618 /nfs/dbraw/zinc/79/96/18/623799618.db2.gz RMSFLNOVNUKQPI-DZGCQCFKSA-N 0 3 313.873 2.050 20 30 DEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932896755 623821124 /nfs/dbraw/zinc/82/11/24/623821124.db2.gz RUJLCLKQVAVYPL-UWVGGRQHSA-N 0 3 306.332 2.003 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC2(CC1)CN(CC1CC1)CCO2 ZINC000949433224 623838771 /nfs/dbraw/zinc/83/87/71/623838771.db2.gz JEYUYLFZTAWASZ-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001021633418 623866469 /nfs/dbraw/zinc/86/64/69/623866469.db2.gz QSSGVKOSVNJADC-KBXCAEBGSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(OC)cs2)C1 ZINC001021648370 623900070 /nfs/dbraw/zinc/90/00/70/623900070.db2.gz KAEQMDZRPQCFRR-UKRRQHHQSA-N 0 3 318.442 2.316 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2occc2CC)C1 ZINC001021671742 623931842 /nfs/dbraw/zinc/93/18/42/623931842.db2.gz VJAHRHQXNNCDBU-CVEARBPZSA-N 0 3 300.402 2.402 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)CC(C)(F)F)CC2)C1 ZINC000949462761 623982481 /nfs/dbraw/zinc/98/24/81/623982481.db2.gz IYACDCDVTPJNTH-UHFFFAOYSA-N 0 3 316.392 2.301 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ncoc2C2CC2)C1 ZINC001021711371 623994128 /nfs/dbraw/zinc/99/41/28/623994128.db2.gz VWOKQUDRDSOSCM-GJZGRUSLSA-N 0 3 313.401 2.112 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(F)s2)C1 ZINC001021745500 624031419 /nfs/dbraw/zinc/03/14/19/624031419.db2.gz BOQRCJWKCQXHAD-CHWSQXEVSA-N 0 3 306.406 2.447 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933058342 624053940 /nfs/dbraw/zinc/05/39/40/624053940.db2.gz BIPQIQWFEZHVGJ-INIZCTEOSA-N 0 3 316.401 2.073 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC000971218853 624072847 /nfs/dbraw/zinc/07/28/47/624072847.db2.gz SRMXPFQVYUCBAG-CJNGLKHVSA-N 0 3 303.381 2.348 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC3(F)F)C2)c(F)c1 ZINC001022054124 624184880 /nfs/dbraw/zinc/18/48/80/624184880.db2.gz WYANPBYLWVNBNZ-FRRDWIJNSA-N 0 3 323.318 2.089 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc(OC)cc2C)C1 ZINC000971599102 624194102 /nfs/dbraw/zinc/19/41/02/624194102.db2.gz IAZAHUDTMJPRNZ-INIZCTEOSA-N 0 3 302.418 2.265 20 30 DEEDHN N#CC(C(=O)COC/C=C/c1ccccc1)C(=O)N1CCCC1 ZINC000121450972 624197392 /nfs/dbraw/zinc/19/73/92/624197392.db2.gz JPBMNQIVKJJXBH-FSNWXROXSA-N 0 3 312.369 2.048 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001022181400 624493011 /nfs/dbraw/zinc/49/30/11/624493011.db2.gz QGSASKVAOJZBQT-BETUJISGSA-N 0 3 322.840 2.383 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001022189261 624493990 /nfs/dbraw/zinc/49/39/90/624493990.db2.gz SRZFBYDDBLBVFT-DTORHVGOSA-N 0 3 317.220 2.228 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000971771284 624544146 /nfs/dbraw/zinc/54/41/46/624544146.db2.gz HQWMDAQHWFKKBG-AEFFLSMTSA-N 0 3 313.445 2.232 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001022320962 624590926 /nfs/dbraw/zinc/59/09/26/624590926.db2.gz CASHPGFRVQXUHL-BETUJISGSA-N 0 3 318.808 2.176 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccsc1 ZINC000121603466 624632493 /nfs/dbraw/zinc/63/24/93/624632493.db2.gz LONSKXMRZGZDFW-GXTWGEPZSA-N 0 3 322.430 2.492 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccncc2C)C1 ZINC000998773784 634400767 /nfs/dbraw/zinc/40/07/67/634400767.db2.gz UDEFBRNVTVTTIY-UHFFFAOYSA-N 0 3 307.825 2.264 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000971894337 624696974 /nfs/dbraw/zinc/69/69/74/624696974.db2.gz WTZXQQFPILMVFC-HNNXBMFYSA-N 0 3 312.417 2.145 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001022519899 624707156 /nfs/dbraw/zinc/70/71/56/624707156.db2.gz QIVQANILKRGOSC-TXEJJXNPSA-N 0 3 320.780 2.134 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3cncs3)C2)cc1 ZINC001022527308 624710405 /nfs/dbraw/zinc/71/04/05/624710405.db2.gz UITYIMAFYUFBBS-GASCZTMLSA-N 0 3 311.410 2.175 20 30 DEEDHN Cc1cc(COC(=O)C2CCCN(C3CC3)C2=O)ccc1C#N ZINC000924059679 624790859 /nfs/dbraw/zinc/79/08/59/624790859.db2.gz QOKVYFXXMGUFTH-MRXNPFEDSA-N 0 3 312.369 2.311 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)C[C@H]3CCCCO3)C2)C1 ZINC000972282947 624914406 /nfs/dbraw/zinc/91/44/06/624914406.db2.gz INBLULGIEWSHIA-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)C[C@@H]3CCCCO3)C2)C1 ZINC000972282943 624914496 /nfs/dbraw/zinc/91/44/96/624914496.db2.gz INBLULGIEWSHIA-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972333899 624932700 /nfs/dbraw/zinc/93/27/00/624932700.db2.gz ZDEZTTGGXBOGEL-AWEZNQCLSA-N 0 3 313.873 2.004 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)COc2c(C)cccc2C)C1 ZINC001027673479 634428068 /nfs/dbraw/zinc/42/80/68/634428068.db2.gz TWAOTPURGKBNRE-QGZVFWFLSA-N 0 3 314.429 2.238 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c2ccccc2nn1C ZINC001024744840 625027691 /nfs/dbraw/zinc/02/76/91/625027691.db2.gz HIPPMWZXBOSFGL-HNNXBMFYSA-N 0 3 324.428 2.181 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001024756883 625038288 /nfs/dbraw/zinc/03/82/88/625038288.db2.gz WRAODCCOYKALBR-MRXNPFEDSA-N 0 3 302.422 2.072 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001020200378 625052405 /nfs/dbraw/zinc/05/24/05/625052405.db2.gz VWRYEXMSBNCRJM-MGCOHNPYSA-N 0 3 318.755 2.190 20 30 DEEDHN CCOc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119721450 625058352 /nfs/dbraw/zinc/05/83/52/625058352.db2.gz BLYYSFKWMSNKFK-INIZCTEOSA-N 0 3 314.385 2.395 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001024798160 625059526 /nfs/dbraw/zinc/05/95/26/625059526.db2.gz VAIBVWGUCXZDEX-OAHLLOKOSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000972409295 625061460 /nfs/dbraw/zinc/06/14/60/625061460.db2.gz MFRBLJSGYNLBBO-GFCCVEGCSA-N 0 3 308.813 2.186 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000947519137 625077430 /nfs/dbraw/zinc/07/74/30/625077430.db2.gz CHAJBUGGWMUNDX-NVXWUHKLSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C[C@H]1C ZINC000947521166 625090433 /nfs/dbraw/zinc/09/04/33/625090433.db2.gz XRYPIGXFYVVNJX-GDBMZVCRSA-N 0 3 322.412 2.293 20 30 DEEDHN Cc1noc(C)c1CNC[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001024959508 625119424 /nfs/dbraw/zinc/11/94/24/625119424.db2.gz AFHUBBYVMZBPKU-MRXNPFEDSA-N 0 3 315.417 2.176 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2OC)C1 ZINC001023004033 625131369 /nfs/dbraw/zinc/13/13/69/625131369.db2.gz MYHMTGRTEQULJB-AOOOYVTPSA-N 0 3 300.811 2.360 20 30 DEEDHN CCC(=O)N1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000178845596 625139822 /nfs/dbraw/zinc/13/98/22/625139822.db2.gz HKAJFGJKLVFIOK-RYUDHWBXSA-N 0 3 311.341 2.263 20 30 DEEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccn2)OC1 ZINC000892550372 625140394 /nfs/dbraw/zinc/14/03/94/625140394.db2.gz HNMDLBNZGJSHIB-STQMWFEESA-N 0 3 315.373 2.324 20 30 DEEDHN C#Cc1ccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000934932100 625162582 /nfs/dbraw/zinc/16/25/82/625162582.db2.gz CJEBCVQKPORWJT-GJZGRUSLSA-N 0 3 303.431 2.177 20 30 DEEDHN C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001026195998 625175878 /nfs/dbraw/zinc/17/58/78/625175878.db2.gz BRSFFNQCUPVNGO-CWRNSKLLSA-N 0 3 300.402 2.409 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001025070463 625193555 /nfs/dbraw/zinc/19/35/55/625193555.db2.gz ZDIXCLYEELRYQP-YOEHRIQHSA-N 0 3 319.453 2.186 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001027685220 634441631 /nfs/dbraw/zinc/44/16/31/634441631.db2.gz BTPWKPKNTUAWLS-YOEHRIQHSA-N 0 3 302.393 2.485 20 30 DEEDHN C=CCCCN(CC)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000893239105 625272446 /nfs/dbraw/zinc/27/24/46/625272446.db2.gz YKXNGDRUNHRWRD-KRWDZBQOSA-N 0 3 324.513 2.258 20 30 DEEDHN CC(C)=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001024399276 625749745 /nfs/dbraw/zinc/74/97/45/625749745.db2.gz GHQZSIHWEJAUAN-MRXNPFEDSA-N 0 3 300.406 2.437 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001024437966 625773567 /nfs/dbraw/zinc/77/35/67/625773567.db2.gz CEILPDBJSDHIED-KRWDZBQOSA-N 0 3 314.433 2.216 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001024462441 625789607 /nfs/dbraw/zinc/78/96/07/625789607.db2.gz RYXZBTMMBRMRPZ-ZDUSSCGKSA-N 0 3 324.375 2.194 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCCN1C[C@@H](C)OC ZINC001024479703 625808772 /nfs/dbraw/zinc/80/87/72/625808772.db2.gz NQMNISCWKASPDJ-CVEARBPZSA-N 0 3 319.449 2.293 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001024500800 625819163 /nfs/dbraw/zinc/81/91/63/625819163.db2.gz VKKDGLCTSDBZPF-CQSZACIVSA-N 0 3 305.447 2.368 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc4ccncc4c3)[C@@H]2C1 ZINC000978917117 634454344 /nfs/dbraw/zinc/45/43/44/634454344.db2.gz GYOPFKIQKYQXAL-LDLYASANSA-N 0 3 319.408 2.166 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001024518522 625833425 /nfs/dbraw/zinc/83/34/25/625833425.db2.gz KDICRVSYEHHQSQ-HNNXBMFYSA-N 0 3 324.428 2.479 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001019960553 625863684 /nfs/dbraw/zinc/86/36/84/625863684.db2.gz VZFIPOVVGLJYRT-QZKOUSHUSA-N 0 3 301.365 2.090 20 30 DEEDHN C[C@@H]1CO[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000892493631 625890362 /nfs/dbraw/zinc/89/03/62/625890362.db2.gz OCCKXAKTSQMPNY-TVYUQYBPSA-N 0 3 306.749 2.412 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)cc1C ZINC001024644820 625950419 /nfs/dbraw/zinc/95/04/19/625950419.db2.gz ZBORVEXHLGEXBL-CQSZACIVSA-N 0 3 303.406 2.256 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(CC)c2C)C1 ZINC000999597586 634640664 /nfs/dbraw/zinc/64/06/64/634640664.db2.gz FYWOGFFYPQMMSI-UHFFFAOYSA-N 0 3 310.829 2.157 20 30 DEEDHN C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979514529 634672703 /nfs/dbraw/zinc/67/27/03/634672703.db2.gz LRHZYASKFHYGRE-HRCADAONSA-N 0 3 312.413 2.246 20 30 DEEDHN C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000979514529 634672706 /nfs/dbraw/zinc/67/27/06/634672706.db2.gz LRHZYASKFHYGRE-HRCADAONSA-N 0 3 312.413 2.246 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999875613 634697993 /nfs/dbraw/zinc/69/79/93/634697993.db2.gz GVDZKTCLVZXQKG-AWEZNQCLSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001000091814 634738386 /nfs/dbraw/zinc/73/83/86/634738386.db2.gz JMDSBJWNAQFICG-SJLPKXTDSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC001000091810 634738449 /nfs/dbraw/zinc/73/84/49/634738449.db2.gz JMDSBJWNAQFICG-AEFFLSMTSA-N 0 3 316.449 2.468 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccnn3C(C)C)CC2)CC1 ZINC001000164576 634773710 /nfs/dbraw/zinc/77/37/10/634773710.db2.gz DDYVSOKBAZROSM-UHFFFAOYSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ncc(Cl)s3)CC2)CC1 ZINC001000207173 634791569 /nfs/dbraw/zinc/79/15/69/634791569.db2.gz RNQBTPNIQBDISN-UHFFFAOYSA-N 0 3 323.849 2.404 20 30 DEEDHN C[C@H](OCc1ccccc1)C(=NNC1=NCCN1)C(F)(F)F ZINC000841661405 634794879 /nfs/dbraw/zinc/79/48/79/634794879.db2.gz XKTFQMAJRDIQQO-JTQLQIEISA-N 0 3 314.311 2.059 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CCC)c1ccccn1 ZINC000836280600 650074428 /nfs/dbraw/zinc/07/44/28/650074428.db2.gz ZPJSNTFUZVVGOW-MRXNPFEDSA-N 0 3 302.422 2.177 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000836311334 650078255 /nfs/dbraw/zinc/07/82/55/650078255.db2.gz ZLCHGDJALPKZJR-UHFFFAOYSA-N 0 3 319.424 2.358 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2c(C)cc(C)cc2C1 ZINC000836490136 650097672 /nfs/dbraw/zinc/09/76/72/650097672.db2.gz JIODBNVNZFBFSK-UHFFFAOYSA-N 0 3 313.445 2.326 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001024725406 632949082 /nfs/dbraw/zinc/94/90/82/632949082.db2.gz DUEPXAODXOBPJN-CQSZACIVSA-N 0 3 318.392 2.442 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001024731260 632953803 /nfs/dbraw/zinc/95/38/03/632953803.db2.gz GALAHBZCDNGXAO-KRWDZBQOSA-N 0 3 316.449 2.147 20 30 DEEDHN Cc1nc(C(=O)N2CC[C@@H](CNCc3ccccc3C#N)C2)co1 ZINC001026795244 633127718 /nfs/dbraw/zinc/12/77/18/633127718.db2.gz BYGRKBJEJICAOP-AWEZNQCLSA-N 0 3 324.384 2.107 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)C(C)(C)C1 ZINC000974585684 633165683 /nfs/dbraw/zinc/16/56/83/633165683.db2.gz UVXOUCJBTJLGPJ-OAHLLOKOSA-N 0 3 316.449 2.072 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001026835449 633168205 /nfs/dbraw/zinc/16/82/05/633168205.db2.gz XRANWSQEGOAKOM-CQSZACIVSA-N 0 3 318.367 2.316 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974600113 633174657 /nfs/dbraw/zinc/17/46/57/633174657.db2.gz GJZDFSCKYQOMCE-LSDHHAIUSA-N 0 3 316.449 2.232 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000996225759 633215568 /nfs/dbraw/zinc/21/55/68/633215568.db2.gz FGLLUJBTMLJJJS-CRAIPNDOSA-N 0 3 318.465 2.349 20 30 DEEDHN CCc1nc(C)c(CNC2CCN(C(=O)C#CC3CC3)CC2)o1 ZINC000996394313 633253640 /nfs/dbraw/zinc/25/36/40/633253640.db2.gz NONOEFXGTZBSKN-UHFFFAOYSA-N 0 3 315.417 2.039 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1(C)C ZINC000996398655 633254549 /nfs/dbraw/zinc/25/45/49/633254549.db2.gz IUQSBSBIRQJTIF-SMDDNHRTSA-N 0 3 324.856 2.167 20 30 DEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1(C)C ZINC000996398655 633254550 /nfs/dbraw/zinc/25/45/50/633254550.db2.gz IUQSBSBIRQJTIF-SMDDNHRTSA-N 0 3 324.856 2.167 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)ncn3C)C(C)(C)C1 ZINC000974750162 633286047 /nfs/dbraw/zinc/28/60/47/633286047.db2.gz IPNXOMISXMXEPY-KRWDZBQOSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C(C)(C)C1 ZINC000974799756 633311497 /nfs/dbraw/zinc/31/14/97/633311497.db2.gz IPPGLYKFKGWCCK-KRWDZBQOSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C(C)(C)C1 ZINC000974824610 633319829 /nfs/dbraw/zinc/31/98/29/633319829.db2.gz IAQMXFIHHMTBRN-OAHLLOKOSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001027040883 633373417 /nfs/dbraw/zinc/37/34/17/633373417.db2.gz LSJNRAWKOJKLTM-CXAGYDPISA-N 0 3 321.421 2.224 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3cc(C)no3)C2)C1 ZINC001027050970 633377877 /nfs/dbraw/zinc/37/78/77/633377877.db2.gz NHUAFEMWOJPLPU-AWEZNQCLSA-N 0 3 303.406 2.277 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2c(F)cccc2F)C(C)(C)C1 ZINC000974980997 633385472 /nfs/dbraw/zinc/38/54/72/633385472.db2.gz YEZGKBJQROHTFQ-MRXNPFEDSA-N 0 3 320.383 2.357 20 30 DEEDHN Cc1cc(OCC(=O)C(C#N)C(=O)N2CCCC2)ccc1Cl ZINC000124681448 633409192 /nfs/dbraw/zinc/40/91/92/633409192.db2.gz LMOXGJQJGKDRKZ-CYBMUJFWSA-N 0 3 320.776 2.359 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3ocnc3C)CC2)C1 ZINC000996973454 633550072 /nfs/dbraw/zinc/55/00/72/633550072.db2.gz HNTUPVHAIREAQD-UHFFFAOYSA-N 0 3 303.406 2.420 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027319546 633647925 /nfs/dbraw/zinc/64/79/25/633647925.db2.gz KLMGWDVUBPXUSR-PBHICJAKSA-N 0 3 315.417 2.016 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000997235141 633686329 /nfs/dbraw/zinc/68/63/29/633686329.db2.gz QCBWBQAXVFAIBX-OIISXLGYSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C3CC3)on2)CC1 ZINC000997242765 633687831 /nfs/dbraw/zinc/68/78/31/633687831.db2.gz AKCDVKSXAOPNGZ-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2c[nH]nc2C2CC2)CC1 ZINC000997376159 633749989 /nfs/dbraw/zinc/74/99/89/633749989.db2.gz OYSNLBUYYHRYAQ-CYBMUJFWSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000997635669 633905908 /nfs/dbraw/zinc/90/59/08/633905908.db2.gz IHEQKYMPKBHQEZ-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)COC3)C(C)(C)C1 ZINC000977316333 633921729 /nfs/dbraw/zinc/92/17/29/633921729.db2.gz MGVXMCRNHKHTAH-QGZVFWFLSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C)c(OC)c2)CC1 ZINC000997671431 633924487 /nfs/dbraw/zinc/92/44/87/633924487.db2.gz MWUKFENRDNSLFZ-HNNXBMFYSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ocnc2C(F)F)CC1 ZINC000997751071 633962775 /nfs/dbraw/zinc/96/27/75/633962775.db2.gz STLNJFOCIJPCSZ-JTQLQIEISA-N 0 3 311.332 2.076 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(F)c(OC)c2)CC1 ZINC000997762334 633966139 /nfs/dbraw/zinc/96/61/39/633966139.db2.gz IGSOKGLGOASWHB-ZDUSSCGKSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C(C)(C)C1 ZINC000977403958 633968194 /nfs/dbraw/zinc/96/81/94/633968194.db2.gz WDPRMEGMFAJUNV-OAHLLOKOSA-N 0 3 318.465 2.100 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(C(C)C)CC1(C)C ZINC000977441174 633997271 /nfs/dbraw/zinc/99/72/71/633997271.db2.gz RJUUZAPWRHCRTH-HNNXBMFYSA-N 0 3 317.433 2.495 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ncoc2C2CC2)CC1 ZINC000997824988 634000892 /nfs/dbraw/zinc/00/08/92/634000892.db2.gz RTDNXVNWPBOGCD-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2cccc(OC)c2)C(C)(C)C1 ZINC000977564200 634048351 /nfs/dbraw/zinc/04/83/51/634048351.db2.gz UOOJGQFCQGTYJI-KRWDZBQOSA-N 0 3 314.429 2.088 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(CC)n[nH]2)CC1 ZINC000997939037 634069355 /nfs/dbraw/zinc/06/93/55/634069355.db2.gz ISPUYQIRUGCANY-INIZCTEOSA-N 0 3 316.449 2.312 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)C(C)(C)C1 ZINC000977658277 634085597 /nfs/dbraw/zinc/08/55/97/634085597.db2.gz NFRCCCPWBLVRTN-NVXWUHKLSA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)sn2)CC1 ZINC000997993861 634100308 /nfs/dbraw/zinc/10/03/08/634100308.db2.gz UVTLAFVHPMZQJL-CQSZACIVSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC000998005566 634107692 /nfs/dbraw/zinc/10/76/92/634107692.db2.gz GBHQPMPUXLSJIP-KSZLIROESA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnn(C)c2Cl)CC1 ZINC000998042791 634121167 /nfs/dbraw/zinc/12/11/67/634121167.db2.gz ANZSQYHVMZVGAA-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnn3ccccc23)CC1 ZINC000998149173 634155099 /nfs/dbraw/zinc/15/50/99/634155099.db2.gz GTBQYMKQGUHQOR-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2ccco2)CC[C@@H]1C(F)(F)F ZINC000998212947 634170103 /nfs/dbraw/zinc/17/01/03/634170103.db2.gz ALOABTWJGFDVJR-QWRGUYRKSA-N 0 3 302.296 2.448 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ncsc2C2CC2)C1 ZINC001027575167 634179276 /nfs/dbraw/zinc/17/92/76/634179276.db2.gz YCCHRZCSAWNCOR-ZDUSSCGKSA-N 0 3 303.431 2.190 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2coc(C)n2)CC[C@@H]1C(F)(F)F ZINC000998236776 634180548 /nfs/dbraw/zinc/18/05/48/634180548.db2.gz LGFTUDHNRBMZLA-QWRGUYRKSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccn(C)c2)CC[C@H]1C(F)(F)F ZINC000998258059 634191934 /nfs/dbraw/zinc/19/19/34/634191934.db2.gz PYRLQYMQPRSLBP-CHWSQXEVSA-N 0 3 315.339 2.194 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000978018552 634196720 /nfs/dbraw/zinc/19/67/20/634196720.db2.gz GUBRKSXMDQRFLT-ZJPYXAASSA-N 0 3 323.440 2.398 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001027614993 634292508 /nfs/dbraw/zinc/29/25/08/634292508.db2.gz KHXXACXHSJAGET-PBHICJAKSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3nc4ccccc4cc3C)[C@@H]2C1 ZINC000978529366 634350034 /nfs/dbraw/zinc/35/00/34/634350034.db2.gz MHMUWQSGBDNIJO-OSYLJGHBSA-N 0 3 319.408 2.084 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cnco3)C[C@@H]2C1 ZINC000980149039 634863916 /nfs/dbraw/zinc/86/39/16/634863916.db2.gz KZQMSICDRPIDDN-YNEHKIRRSA-N 0 3 309.797 2.257 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001027909278 634934785 /nfs/dbraw/zinc/93/47/85/634934785.db2.gz NIMWNZGOBIPMHE-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCONC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000837044749 650160158 /nfs/dbraw/zinc/16/01/58/650160158.db2.gz SFWFBYHOPIMPQL-UHFFFAOYSA-N 0 3 303.406 2.064 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2ccc(OC)cc2)C1 ZINC000980332409 634957536 /nfs/dbraw/zinc/95/75/36/634957536.db2.gz DPIYYOPBTBHAAW-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(OC)c(OCC)c2)C1 ZINC000980345278 634963118 /nfs/dbraw/zinc/96/31/18/634963118.db2.gz AJHJOHZWXRIDDC-OAHLLOKOSA-N 0 3 318.417 2.426 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001027927322 634988330 /nfs/dbraw/zinc/98/83/30/634988330.db2.gz OCLORUXPFACNMR-HNNXBMFYSA-N 0 3 300.402 2.376 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)OCCCO2 ZINC001027933456 635000619 /nfs/dbraw/zinc/00/06/19/635000619.db2.gz WSINEUGGVUDHMM-HNNXBMFYSA-N 0 3 316.401 2.228 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC000980493592 635023942 /nfs/dbraw/zinc/02/39/42/635023942.db2.gz HYKVAFUHDDLBKF-LMWSTFAQSA-N 0 3 302.340 2.438 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001027947289 635038297 /nfs/dbraw/zinc/03/82/97/635038297.db2.gz LIVZWWWSRBDAMO-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CCN1CCC[C@@H]1CNC(=O)c1snnc1CC ZINC001028006534 635227691 /nfs/dbraw/zinc/22/76/91/635227691.db2.gz QJTUIAJAFAMSPF-GFCCVEGCSA-N 0 3 308.451 2.261 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000980941266 635248515 /nfs/dbraw/zinc/24/85/15/635248515.db2.gz RYFGGQVHZXNCOM-IAGOWNOFSA-N 0 3 323.400 2.112 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCCN(CC3CC(F)(F)C3)CC2)[nH]1 ZINC000980990582 635273690 /nfs/dbraw/zinc/27/36/90/635273690.db2.gz ADRUBQZHFZIQHQ-UHFFFAOYSA-N 0 3 322.359 2.080 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nccc3[nH]ccc32)C[C@H]1C ZINC000947726236 635292959 /nfs/dbraw/zinc/29/29/59/635292959.db2.gz LFEPPDXJWLBQHG-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC001001012511 635380065 /nfs/dbraw/zinc/38/00/65/635380065.db2.gz NJSTZSBWKLRCBY-UHFFFAOYSA-N 0 3 322.412 2.420 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2OCCc3ccccc32)CC1 ZINC001001030824 635392837 /nfs/dbraw/zinc/39/28/37/635392837.db2.gz GWZRWIGDIOUJDQ-SFHVURJKSA-N 0 3 312.413 2.235 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)nnc2C)CC1 ZINC000981246987 635401691 /nfs/dbraw/zinc/40/16/91/635401691.db2.gz OPXDFTCNIVFVCG-UHFFFAOYSA-N 0 3 302.422 2.208 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC001001269355 635445861 /nfs/dbraw/zinc/44/58/61/635445861.db2.gz NHIISSKYJIHMNK-GOSISDBHSA-N 0 3 312.413 2.315 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC001001402521 635477592 /nfs/dbraw/zinc/47/75/92/635477592.db2.gz RHRLJGHFLHJVPU-UHFFFAOYSA-N 0 3 316.401 2.252 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2=CCN(CC=C(C)C)CC2)cn1 ZINC001001379978 635482745 /nfs/dbraw/zinc/48/27/45/635482745.db2.gz ACYLIZQMTMKOJG-UHFFFAOYSA-N 0 3 309.413 2.391 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC001001422348 635495409 /nfs/dbraw/zinc/49/54/09/635495409.db2.gz DWPCRBUOPJGHNX-UHFFFAOYSA-N 0 3 324.380 2.341 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C)nn(CC)c2Cl)CC1 ZINC001001458483 635499853 /nfs/dbraw/zinc/49/98/53/635499853.db2.gz LRAOHSIVOIGSIK-UHFFFAOYSA-N 0 3 322.840 2.413 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000981504954 635508561 /nfs/dbraw/zinc/50/85/61/635508561.db2.gz FBJVMDJWNFOGKV-UHFFFAOYSA-N 0 3 310.401 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC001001605282 635530958 /nfs/dbraw/zinc/53/09/58/635530958.db2.gz ZDMYROAIBOWLGU-UHFFFAOYSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCc3cc(F)ccc32)CC1 ZINC001001634517 635536479 /nfs/dbraw/zinc/53/64/79/635536479.db2.gz ABCKKASTEIMEDR-SFHVURJKSA-N 0 3 314.404 2.317 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc3n[nH]cc32)CC1 ZINC001001702394 635543281 /nfs/dbraw/zinc/54/32/81/635543281.db2.gz GUXVKWFKWQAXTF-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2cncc(C)c2)CC1 ZINC000981593564 635544939 /nfs/dbraw/zinc/54/49/39/635544939.db2.gz FZVLGTADTQLAJQ-UHFFFAOYSA-N 0 3 301.434 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc(F)c2F)CC1 ZINC001001766725 635550748 /nfs/dbraw/zinc/55/07/48/635550748.db2.gz BVTUQHKXYDYXCQ-UHFFFAOYSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC001002162592 635630754 /nfs/dbraw/zinc/63/07/54/635630754.db2.gz TUNXADFHFAWTRY-SJORKVTESA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc4cccn4cn3)C2)C1 ZINC000981838181 635682224 /nfs/dbraw/zinc/68/22/24/635682224.db2.gz YLKJECVOQVGPOD-UHFFFAOYSA-N 0 3 310.401 2.058 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)COC3CCCCC3)C2)C1 ZINC000981865819 635698242 /nfs/dbraw/zinc/69/82/42/635698242.db2.gz XRPGJTVJFJESTK-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn(CCC(C)C)nn2)CC1 ZINC000981944469 635750304 /nfs/dbraw/zinc/75/03/04/635750304.db2.gz MSRMRELHSCTOQN-UHFFFAOYSA-N 0 3 319.453 2.048 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1-n1cccn1 ZINC001028165101 635760338 /nfs/dbraw/zinc/76/03/38/635760338.db2.gz PSFVFZBVFPFCFL-HNNXBMFYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccn4cc(C)nc4c3)C2)C1 ZINC000982011442 635809268 /nfs/dbraw/zinc/80/92/68/635809268.db2.gz CSSKRSPVTUAMBT-UHFFFAOYSA-N 0 3 324.428 2.367 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(-n2cccn2)c1 ZINC001028205099 635821942 /nfs/dbraw/zinc/82/19/42/635821942.db2.gz GYVKZUQHYRRZKA-SFHVURJKSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(-n2cccc2)nc1 ZINC001028209713 635828488 /nfs/dbraw/zinc/82/84/88/635828488.db2.gz NLYMWRHQDXILKZ-QGZVFWFLSA-N 0 3 322.412 2.090 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C3(C(F)(F)F)CC3)C2)C1 ZINC000982033537 635832438 /nfs/dbraw/zinc/83/24/38/635832438.db2.gz CPLGJFSOEZLGOG-UHFFFAOYSA-N 0 3 302.340 2.439 20 30 DEEDHN C#CCCN1CCCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000982065410 635852922 /nfs/dbraw/zinc/85/29/22/635852922.db2.gz YQTXYDOJHVEFLU-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ncccc3Cl)C2)C1 ZINC000982124993 635881142 /nfs/dbraw/zinc/88/11/42/635881142.db2.gz GWMYANZONQVQCY-UHFFFAOYSA-N 0 3 305.809 2.459 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H](C)[C@@H]3CCCO3)C2)C1 ZINC000982130997 635884655 /nfs/dbraw/zinc/88/46/55/635884655.db2.gz NLEGNYNRUKXKDI-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](OC)C3CCCC3)C2)C1 ZINC000982133110 635885553 /nfs/dbraw/zinc/88/55/53/635885553.db2.gz AYWMGZZGVGEUJY-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)COc3ccccc3C)C2)C1 ZINC000982137560 635889301 /nfs/dbraw/zinc/88/93/01/635889301.db2.gz HDJXUVKXYLTHDF-UHFFFAOYSA-N 0 3 314.429 2.484 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccncc3F)C[C@]2(C)C1 ZINC000982244388 635917197 /nfs/dbraw/zinc/91/71/97/635917197.db2.gz UVKZIMCESRZLGR-CALCHBBNSA-N 0 3 303.381 2.191 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3ncccc3C)C[C@]2(C)C1 ZINC000982251882 635923194 /nfs/dbraw/zinc/92/31/94/635923194.db2.gz AULVYYGXQQRSHG-KDURUIRLSA-N 0 3 311.429 2.197 20 30 DEEDHN N#Cc1ccnc(NC[C@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000261614537 635931857 /nfs/dbraw/zinc/93/18/57/635931857.db2.gz BKBGPHFOGWGKNI-CQSZACIVSA-N 0 3 309.329 2.160 20 30 DEEDHN COc1ccccc1CNC(=[NH2+])NCc1ccc([O-])c(F)c1 ZINC000178581234 635944651 /nfs/dbraw/zinc/94/46/51/635944651.db2.gz RYYDGXRQYPOKFV-UHFFFAOYSA-N 0 3 303.337 2.144 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(COC)c(F)c1 ZINC001028285414 636037614 /nfs/dbraw/zinc/03/76/14/636037614.db2.gz XMOKSDWPWLANMJ-INIZCTEOSA-N 0 3 318.392 2.190 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cc[nH]c3CCC)C[C@]2(C)C1 ZINC000982462780 636099476 /nfs/dbraw/zinc/09/94/76/636099476.db2.gz CDSUTSUUJZTYSW-KDURUIRLSA-N 0 3 313.445 2.384 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ncccc1OC(C)C ZINC001028292530 636101306 /nfs/dbraw/zinc/10/13/06/636101306.db2.gz RHJWCGLYEPQORM-OAHLLOKOSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927634570 636128830 /nfs/dbraw/zinc/12/88/30/636128830.db2.gz WHOINCRASXVPGU-NVXWUHKLSA-N 0 3 321.465 2.237 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3Cc4ccccc43)C[C@]2(C)C1 ZINC000982495851 636166049 /nfs/dbraw/zinc/16/60/49/636166049.db2.gz GYLYIVKZGLDJLN-RLLQIKCJSA-N 0 3 308.425 2.130 20 30 DEEDHN Cn1cccc1C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028414724 636183073 /nfs/dbraw/zinc/18/30/73/636183073.db2.gz VIPDPZPSAUDLKB-QGZVFWFLSA-N 0 3 322.412 2.149 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)C3CC=CC3)C2)c1 ZINC001028453201 636215334 /nfs/dbraw/zinc/21/53/34/636215334.db2.gz WDUQJAYTJMQKSG-QGZVFWFLSA-N 0 3 309.413 2.463 20 30 DEEDHN N#CCC1(CNC2CC(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000894197103 636404822 /nfs/dbraw/zinc/40/48/22/636404822.db2.gz CXBZCHHDAUDAPD-UHFFFAOYSA-N 0 3 304.415 2.275 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN(Cc2cccnc2)C1 ZINC001028593902 636460143 /nfs/dbraw/zinc/46/01/43/636460143.db2.gz WQKSZNZYSAVFBC-QGZVFWFLSA-N 0 3 324.428 2.321 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001028658817 636567880 /nfs/dbraw/zinc/56/78/80/636567880.db2.gz HYZLUIVYOWGPCO-HNNXBMFYSA-N 0 3 316.449 2.101 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CNC(=O)c2ccc3cncn3c2)C1 ZINC001028692054 636630822 /nfs/dbraw/zinc/63/08/22/636630822.db2.gz AKZYPXUXPLYLIJ-CYBMUJFWSA-N 0 3 318.808 2.139 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001028696858 636639243 /nfs/dbraw/zinc/63/92/43/636639243.db2.gz HOJQHRJHFFOYRW-HUUCEWRRSA-N 0 3 312.413 2.085 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001028722004 636667382 /nfs/dbraw/zinc/66/73/82/636667382.db2.gz MHKHWFABARGAMO-OAHLLOKOSA-N 0 3 322.412 2.152 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2cc(C3CC3)no2)CC1 ZINC001005496166 636750723 /nfs/dbraw/zinc/75/07/23/636750723.db2.gz JUYDBGDWMXFCQO-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001028824271 636760633 /nfs/dbraw/zinc/76/06/33/636760633.db2.gz JIFKSAFOWFCWGX-JTQLQIEISA-N 0 3 312.747 2.303 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cn(C)nc2CC)CC1 ZINC001005547288 636767397 /nfs/dbraw/zinc/76/73/97/636767397.db2.gz WXECQYHFUXDFRF-UHFFFAOYSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC001005563352 636776753 /nfs/dbraw/zinc/77/67/53/636776753.db2.gz ZEJVDSNHHPVLMG-UHFFFAOYSA-N 0 3 313.405 2.070 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc3cccnc3c2)C1 ZINC001028876527 636807153 /nfs/dbraw/zinc/80/71/53/636807153.db2.gz DAYYNSBHTCEINY-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cccc3c2CCOC3)CC1 ZINC001005699717 636821961 /nfs/dbraw/zinc/82/19/61/636821961.db2.gz SHARVQPCVCUIQT-UHFFFAOYSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc(Cl)n2C)CC1 ZINC001005711970 636827111 /nfs/dbraw/zinc/82/71/11/636827111.db2.gz UTDGBMIGCDDOOF-UHFFFAOYSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC001005789379 636838823 /nfs/dbraw/zinc/83/88/23/636838823.db2.gz NXEPCEZTSUYISW-UHFFFAOYSA-N 0 3 310.829 2.104 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001028948356 636882852 /nfs/dbraw/zinc/88/28/52/636882852.db2.gz LPLVLRVYYMWUPZ-GFCCVEGCSA-N 0 3 310.319 2.390 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnc(C3CC3)s2)C1 ZINC001028947660 636883232 /nfs/dbraw/zinc/88/32/32/636883232.db2.gz YWJVIIINYMFFLZ-LBPRGKRZSA-N 0 3 303.431 2.096 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001028977388 636920104 /nfs/dbraw/zinc/92/01/04/636920104.db2.gz YILXECBQSXLFMA-INIZCTEOSA-N 0 3 301.434 2.371 20 30 DEEDHN C#CCOCCN[C@H](COC)c1cccc(Br)c1 ZINC000879664170 636968389 /nfs/dbraw/zinc/96/83/89/636968389.db2.gz VTMKJGVSDXYFGS-CQSZACIVSA-N 0 3 312.207 2.376 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001029022464 636969305 /nfs/dbraw/zinc/96/93/05/636969305.db2.gz MGBAHFKWCYJIRR-INIZCTEOSA-N 0 3 313.445 2.218 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC([C@H](C)NCc2nccs2)CC1 ZINC001029070007 637043635 /nfs/dbraw/zinc/04/36/35/637043635.db2.gz WXECEYWUHIZBFV-RYUDHWBXSA-N 0 3 306.435 2.019 20 30 DEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000894498428 637070365 /nfs/dbraw/zinc/07/03/65/637070365.db2.gz IFRXYPNGKSBHJR-OKZBNKHCSA-N 0 3 324.428 2.424 20 30 DEEDHN CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CCCN(C)C1 ZINC000894500560 637076982 /nfs/dbraw/zinc/07/69/82/637076982.db2.gz VXSTVDSOEDNBMX-WBVHZDCISA-N 0 3 312.417 2.281 20 30 DEEDHN C#CCN(C(=O)NCC1(SCC)CC1)C1CCN(C)CC1 ZINC000923320433 637114269 /nfs/dbraw/zinc/11/42/69/637114269.db2.gz YJEIEDOAOPQOMX-UHFFFAOYSA-N 0 3 309.479 2.011 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001016493377 637290057 /nfs/dbraw/zinc/29/00/57/637290057.db2.gz DJHBAUGGUOXKHX-AWEZNQCLSA-N 0 3 305.809 2.276 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1OC ZINC000928455103 637291516 /nfs/dbraw/zinc/29/15/16/637291516.db2.gz SHWLYNHLVGVCCK-GXTWGEPZSA-N 0 3 304.390 2.082 20 30 DEEDHN Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CC2)s1 ZINC000129430326 637297782 /nfs/dbraw/zinc/29/77/82/637297782.db2.gz LJGBSBWXQYUBJG-NSHDSACASA-N 0 3 304.371 2.007 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc3nccn3c2)CC1 ZINC001006277049 637316933 /nfs/dbraw/zinc/31/69/33/637316933.db2.gz DJROBKQFOCWKNN-UHFFFAOYSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1cccc(C)c1 ZINC000838622727 637613949 /nfs/dbraw/zinc/61/39/49/637613949.db2.gz JROUPYPPGUZNGJ-UHFFFAOYSA-N 0 3 301.434 2.484 20 30 DEEDHN CN1C(=O)CC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000838796951 637652341 /nfs/dbraw/zinc/65/23/41/637652341.db2.gz KOGWQCDFQSFRQL-GXSJLCMTSA-N 0 3 317.345 2.232 20 30 DEEDHN COC(=O)[C@H]1[C@H](CNC(C)(C)c2cccc(C#N)c2)C1(F)F ZINC000895235428 637826016 /nfs/dbraw/zinc/82/60/16/637826016.db2.gz ICAUQEHYUOHLNJ-QWHCGFSZSA-N 0 3 308.328 2.437 20 30 DEEDHN Cc1c(C(=O)Nc2ccccc2CN(C)C)cnn1CCC#N ZINC000895688832 638146046 /nfs/dbraw/zinc/14/60/46/638146046.db2.gz MKFQFCJUYHFLOB-UHFFFAOYSA-N 0 3 311.389 2.419 20 30 DEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCC1(C#N)CCCCC1 ZINC000895830320 638223751 /nfs/dbraw/zinc/22/37/51/638223751.db2.gz YCVGDABMIQMWKQ-CABCVRRESA-N 0 3 304.438 2.339 20 30 DEEDHN COC(=O)[C@@H](CNCc1cccc(C#N)n1)C1CCCCC1 ZINC000895919071 638266031 /nfs/dbraw/zinc/26/60/31/638266031.db2.gz LKCLXZLWXRSJRS-INIZCTEOSA-N 0 3 301.390 2.412 20 30 DEEDHN C[C@]1([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)COC(=O)N1 ZINC000896393487 638499023 /nfs/dbraw/zinc/49/90/23/638499023.db2.gz AJFDRUPWRBYJLN-IUODEOHRSA-N 0 3 305.403 2.330 20 30 DEEDHN COc1ccc(C(C)=NN[C@@H](C)CO)cc1CN1CCCCC1 ZINC000749817076 638684391 /nfs/dbraw/zinc/68/43/91/638684391.db2.gz YMFWYMGWENZYJU-AWEZNQCLSA-N 0 3 319.449 2.376 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000984856912 638707006 /nfs/dbraw/zinc/70/70/06/638707006.db2.gz QEGRUCSCOUYORK-KBRIMQKVSA-N 0 3 309.413 2.343 20 30 DEEDHN C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC)cc1 ZINC001029506841 639009079 /nfs/dbraw/zinc/00/90/79/639009079.db2.gz YPIIZSXRBHDUEE-CALCHBBNSA-N 0 3 312.413 2.397 20 30 DEEDHN CCOC(=O)[C@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000896961595 639100199 /nfs/dbraw/zinc/10/01/99/639100199.db2.gz AEWLEJUGJCLRGB-ZFWWWQNUSA-N 0 3 302.374 2.362 20 30 DEEDHN N#Cc1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)s1 ZINC000754082015 639383390 /nfs/dbraw/zinc/38/33/90/639383390.db2.gz QUOVGSGFVABUPA-BBRMVZONSA-N 0 3 302.399 2.194 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC000985620226 639545197 /nfs/dbraw/zinc/54/51/97/639545197.db2.gz XPCMLILFJWXWGZ-GOSISDBHSA-N 0 3 318.465 2.445 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCO1 ZINC000839563280 639764391 /nfs/dbraw/zinc/76/43/91/639764391.db2.gz GUPWDMOBPGBPEX-GJZGRUSLSA-N 0 3 308.328 2.064 20 30 DEEDHN C=CCCN1CCN(C(=O)c2n[nH]c(C(F)(F)F)c2C)CC1 ZINC000951192180 639801047 /nfs/dbraw/zinc/80/10/47/639801047.db2.gz BDZTWWIPCNUILC-UHFFFAOYSA-N 0 3 316.327 2.071 20 30 DEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)c1cc[nH]c1 ZINC000986300129 639874271 /nfs/dbraw/zinc/87/42/71/639874271.db2.gz ICAHZYDPDQJCCB-ABAIWWIYSA-N 0 3 314.414 2.341 20 30 DEEDHN Cc1ncc(CN(C)CC2CCN(C(=O)C#CC3CC3)CC2)o1 ZINC001029965030 639935944 /nfs/dbraw/zinc/93/59/44/639935944.db2.gz IXZVBLCARFPCDD-UHFFFAOYSA-N 0 3 315.417 2.067 20 30 DEEDHN C=C(C)CN1CCC(N2C(=O)N[C@@H](c3cccs3)C2=O)CC1 ZINC000761249421 640289542 /nfs/dbraw/zinc/28/95/42/640289542.db2.gz BSYOIYZJDLDKKD-AWEZNQCLSA-N 0 3 319.430 2.382 20 30 DEEDHN CSCC(=O)N1C[C@H](NCc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000987966415 640321031 /nfs/dbraw/zinc/32/10/31/640321031.db2.gz BKYIPFIKRPJPOU-BXUZGUMPSA-N 0 3 321.421 2.139 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763926031 640585898 /nfs/dbraw/zinc/58/58/98/640585898.db2.gz VJYMAFRMHNNRSH-AAEUAGOBSA-N 0 3 319.368 2.278 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000988874680 640681049 /nfs/dbraw/zinc/68/10/49/640681049.db2.gz LUKSKAZCNOTDID-GDBMZVCRSA-N 0 3 300.402 2.138 20 30 DEEDHN CC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000764756575 640688966 /nfs/dbraw/zinc/68/89/66/640688966.db2.gz UCSKXLQATCXCGW-ZDUSSCGKSA-N 0 3 313.382 2.431 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](NCCF)C[C@@H]2C)cc1 ZINC000989049530 640711357 /nfs/dbraw/zinc/71/13/57/640711357.db2.gz JLZBZJDAHWOFPC-ZFWWWQNUSA-N 0 3 306.381 2.414 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C(F)F)cc2)C1 ZINC000989171806 640743566 /nfs/dbraw/zinc/74/35/66/640743566.db2.gz WRORVYRYCKEMRR-SWLSCSKDSA-N 0 3 306.356 2.379 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC000989380406 640832241 /nfs/dbraw/zinc/83/22/41/640832241.db2.gz BSPTYGBZNRURCH-JSGCOSHPSA-N 0 3 311.385 2.002 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC000989379947 640832414 /nfs/dbraw/zinc/83/24/14/640832414.db2.gz KQXJZPMFRTZTDS-ZFWWWQNUSA-N 0 3 309.413 2.231 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000989383998 640834228 /nfs/dbraw/zinc/83/42/28/640834228.db2.gz MASSWFPRWNCBKQ-ZJUUUORDSA-N 0 3 312.747 2.444 20 30 DEEDHN CC1(CNCc2nc(C#N)cs2)CCC2(CC1)OCCO2 ZINC000897719740 640910415 /nfs/dbraw/zinc/91/04/15/640910415.db2.gz UBAIOFDZSTYNRL-UHFFFAOYSA-N 0 3 307.419 2.428 20 30 DEEDHN N#Cc1cccnc1N1CCN(CC2CCC(C#N)CC2)CC1 ZINC000929151146 641021525 /nfs/dbraw/zinc/02/15/25/641021525.db2.gz SGZWLAITKNGWBR-UHFFFAOYSA-N 0 3 309.417 2.405 20 30 DEEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441212 641080692 /nfs/dbraw/zinc/08/06/92/641080692.db2.gz IJMIIZQUAGLWMW-KRWDZBQOSA-N 0 3 310.353 2.322 20 30 DEEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441212 641080697 /nfs/dbraw/zinc/08/06/97/641080697.db2.gz IJMIIZQUAGLWMW-KRWDZBQOSA-N 0 3 310.353 2.322 20 30 DEEDHN CN(Cc1cccc(C#N)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441212 641080700 /nfs/dbraw/zinc/08/07/00/641080700.db2.gz IJMIIZQUAGLWMW-KRWDZBQOSA-N 0 3 310.353 2.322 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ncoc2-c2ccon2)CC1 ZINC000989495943 641126334 /nfs/dbraw/zinc/12/63/34/641126334.db2.gz BRYZKOQEOPJVTQ-UHFFFAOYSA-N 0 3 316.361 2.054 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCc2ccccc2OC)CC1 ZINC000989616803 641168877 /nfs/dbraw/zinc/16/88/77/641168877.db2.gz ARQFBBHTDZUTMV-UHFFFAOYSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(-c3cnco3)c2)C1 ZINC000989631562 641176805 /nfs/dbraw/zinc/17/68/05/641176805.db2.gz KKZZPTQKXXQOEM-BBRMVZONSA-N 0 3 309.369 2.167 20 30 DEEDHN C#CCCN1CCCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000989655476 641182822 /nfs/dbraw/zinc/18/28/22/641182822.db2.gz VEWUSLBGIYRUNQ-UHFFFAOYSA-N 0 3 314.429 2.240 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC000989660018 641185497 /nfs/dbraw/zinc/18/54/97/641185497.db2.gz FNOHUXVBYKAHCD-ZBFHGGJFSA-N 0 3 316.449 2.063 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C(CC)CC)c2C)C1 ZINC000989661723 641186657 /nfs/dbraw/zinc/18/66/57/641186657.db2.gz RRRNGCWXPUMBFR-DZGCQCFKSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC(C)C)cc2)C1 ZINC000989753284 641223461 /nfs/dbraw/zinc/22/34/61/641223461.db2.gz UPQRYCITRXISOB-GDBMZVCRSA-N 0 3 300.402 2.300 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC000989778881 641226966 /nfs/dbraw/zinc/22/69/66/641226966.db2.gz LLJDVUNPAIRTEB-DNVCBOLYSA-N 0 3 310.441 2.320 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCc2cccc(F)c2F)CC1 ZINC000989798392 641237126 /nfs/dbraw/zinc/23/71/26/641237126.db2.gz YWLPJGMWELVGQW-UHFFFAOYSA-N 0 3 320.383 2.455 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2sc(Cl)nc2Cl)C1 ZINC000989806119 641243082 /nfs/dbraw/zinc/24/30/82/641243082.db2.gz KJSORZTXYOTBTM-HTQZYQBOSA-N 0 3 318.229 2.276 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC000989850913 641255620 /nfs/dbraw/zinc/25/56/20/641255620.db2.gz XRCWBLDDFVYADE-WBVHZDCISA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2csc(CC(C)C)n2)C1 ZINC000989853049 641256548 /nfs/dbraw/zinc/25/65/48/641256548.db2.gz DYBVAQWEGWEDBM-STQMWFEESA-N 0 3 305.447 2.167 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N(C)CCC)cc2)C1 ZINC000989857879 641258697 /nfs/dbraw/zinc/25/86/97/641258697.db2.gz UCLKULXPECHEIB-NVXWUHKLSA-N 0 3 313.445 2.359 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000989890983 641274384 /nfs/dbraw/zinc/27/43/84/641274384.db2.gz WDAHZUOMMLEEBP-CABZTGNLSA-N 0 3 301.228 2.132 20 30 DEEDHN Cc1cc(C(=O)N2CCC(NCc3ccccc3C#N)CC2)no1 ZINC000989909427 641289140 /nfs/dbraw/zinc/28/91/40/641289140.db2.gz WHQMSHASTPTOBD-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)nc1 ZINC000770049025 641327031 /nfs/dbraw/zinc/32/70/31/641327031.db2.gz NTGMFMHTMLSQRX-RDTXWAMCSA-N 0 3 307.397 2.484 20 30 DEEDHN CCCN1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000842294769 650697931 /nfs/dbraw/zinc/69/79/31/650697931.db2.gz WNVAPMJYWGYOLO-RYUDHWBXSA-N 0 3 311.341 2.263 20 30 DEEDHN COCC#CCN1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773635583 641808206 /nfs/dbraw/zinc/80/82/06/641808206.db2.gz PQLKXEIEVAAACZ-UHFFFAOYSA-N 0 3 322.449 2.359 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CCC[C@H]12 ZINC000990765072 641972951 /nfs/dbraw/zinc/97/29/51/641972951.db2.gz SJGANKPWAGXKMC-DMUMMCEESA-N 0 3 323.440 2.322 20 30 DEEDHN C=C(C)C[C@@H](CO)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000899234040 642005296 /nfs/dbraw/zinc/00/52/96/642005296.db2.gz DLSWVYNHDFDMNR-DOTOQJQBSA-N 0 3 320.433 2.178 20 30 DEEDHN C#C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCCO1 ZINC000775435210 642043940 /nfs/dbraw/zinc/04/39/40/642043940.db2.gz UHCCANNXTZVGPY-CVEARBPZSA-N 0 3 301.390 2.051 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(C)c1)[C@H]1CCCO1 ZINC000775572756 642061696 /nfs/dbraw/zinc/06/16/96/642061696.db2.gz CRQZZBXFATVMCN-BHYGNILZSA-N 0 3 300.402 2.483 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000775805652 642100094 /nfs/dbraw/zinc/10/00/94/642100094.db2.gz HLPCVMRDFOLCLY-HUUCEWRRSA-N 0 3 306.793 2.439 20 30 DEEDHN C#CCN(C(=S)NCCc1ccccc1)C1CCN(C)CC1 ZINC000899613753 642122652 /nfs/dbraw/zinc/12/26/52/642122652.db2.gz NDGHMTLEDGPKFK-UHFFFAOYSA-N 0 3 315.486 2.133 20 30 DEEDHN CCN1c2ccccc2C(=NN=Cc2cnccc2N(C)C)C1=O ZINC000776179019 642139555 /nfs/dbraw/zinc/13/95/55/642139555.db2.gz JWTWVMPIWNOPSD-UHFFFAOYSA-N 0 3 321.384 2.337 20 30 DEEDHN C(CN1CCC(=NOC2CCCCC2)CC1)N1CCOCC1 ZINC000777460133 642269026 /nfs/dbraw/zinc/26/90/26/642269026.db2.gz VHNSZVOOBDMNCV-UHFFFAOYSA-N 0 3 309.454 2.120 20 30 DEEDHN C#CCOc1cccc(Cl)c1CNC1CCN(CC#N)CC1 ZINC000778167946 642346801 /nfs/dbraw/zinc/34/68/01/642346801.db2.gz VWYIORXJCBRWEB-UHFFFAOYSA-N 0 3 317.820 2.430 20 30 DEEDHN C#CCCOc1ccc(CNC2(C(=O)NC)CCCC2)cc1 ZINC000779177092 642469734 /nfs/dbraw/zinc/46/97/34/642469734.db2.gz WKPXXBNLISOSMI-UHFFFAOYSA-N 0 3 300.402 2.237 20 30 DEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000780670602 642658272 /nfs/dbraw/zinc/65/82/72/642658272.db2.gz MQHWJMWRUDDFKB-STQMWFEESA-N 0 3 302.378 2.193 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccn(CC(C)C)n3)CCC[C@H]12 ZINC000990895063 642743735 /nfs/dbraw/zinc/74/37/35/642743735.db2.gz XYRDRYGJAVORDD-WMZOPIPTSA-N 0 3 316.449 2.452 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000783531119 643015408 /nfs/dbraw/zinc/01/54/08/643015408.db2.gz GNVJJWYQQMQMKJ-NVXWUHKLSA-N 0 3 323.458 2.345 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3scnc3CC)CCC[C@H]12 ZINC000990996739 643016187 /nfs/dbraw/zinc/01/61/87/643016187.db2.gz LRSMLOTWBJVKCS-WMLDXEAASA-N 0 3 317.458 2.456 20 30 DEEDHN C=CCC[C@H](N[C@@H](CO)c1ccnn1C)[C@@]1(C)CCCCO1 ZINC000903065203 643235367 /nfs/dbraw/zinc/23/53/67/643235367.db2.gz QAKNNYJFOHMDSF-BHYGNILZSA-N 0 3 307.438 2.337 20 30 DEEDHN C[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)c1cc(C#N)ccn1 ZINC000903272928 643306891 /nfs/dbraw/zinc/30/68/91/643306891.db2.gz RUZKCCAFYIICCY-BJJXKVORSA-N 0 3 302.447 2.184 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCOCC2)c1 ZINC000786303421 643350510 /nfs/dbraw/zinc/35/05/10/643350510.db2.gz GVCSRLBXTBVXFC-WFASDCNBSA-N 0 3 316.357 2.159 20 30 DEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533713 643381489 /nfs/dbraw/zinc/38/14/89/643381489.db2.gz HNDJGADIQCICFR-SMDDNHRTSA-N 0 3 322.792 2.480 20 30 DEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786553254 643384418 /nfs/dbraw/zinc/38/44/18/643384418.db2.gz TUAZJQRKYLBEJX-UONOGXRCSA-N 0 3 304.415 2.462 20 30 DEEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)C1 ZINC000805855774 643553012 /nfs/dbraw/zinc/55/30/12/643553012.db2.gz NJQXCBDONBZDDP-KWCHVYNWSA-N 0 3 316.357 2.158 20 30 DEEDHN COc1ccc(O)c(/C=N\[C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000905002093 643760288 /nfs/dbraw/zinc/76/02/88/643760288.db2.gz FZDXQDCCYDTSFT-IGIWSDCRSA-N 0 3 306.431 2.400 20 30 DEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(OC)c1OC ZINC000905081521 643778089 /nfs/dbraw/zinc/77/80/89/643778089.db2.gz RSNRWRGIVURFGV-QQCYMQAYSA-N 0 3 315.329 2.145 20 30 DEEDHN COc1cc2c(c(/C=C3/C(=O)c4ncnn4C3C)c1)O[C@@H](C)C2 ZINC000905082799 643778907 /nfs/dbraw/zinc/77/89/07/643778907.db2.gz XEJMSRLFIXLZFQ-GCLRIOKPSA-N 0 3 311.341 2.451 20 30 DEEDHN Cc1ccc(-c2nn(C)cc2/C=C2/C(=O)c3ncnn3C2C)o1 ZINC000905086697 643780475 /nfs/dbraw/zinc/78/04/75/643780475.db2.gz SSWFDCBBXNYULF-PQTFEYQYSA-N 0 3 309.329 2.421 20 30 DEEDHN CCOC(=O)c1[nH]c(C)c(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905086674 643780501 /nfs/dbraw/zinc/78/05/01/643780501.db2.gz SGOIWWPJHCUHPJ-GWHHBTOMSA-N 0 3 314.345 2.241 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)COc1cccc(C#N)c1 ZINC000790574953 643868789 /nfs/dbraw/zinc/86/87/89/643868789.db2.gz FHECJQFXUOARPN-MRXNPFEDSA-N 0 3 315.417 2.174 20 30 DEEDHN N#Cc1ccc([C@H](NCC[C@@H]2CCCC2(F)F)C(N)=O)cc1 ZINC000905782008 644032778 /nfs/dbraw/zinc/03/27/78/644032778.db2.gz OYTSBRBWHCWSDR-KBPBESRZSA-N 0 3 307.344 2.500 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794604757 644443578 /nfs/dbraw/zinc/44/35/78/644443578.db2.gz NGQCRLICDAMDKR-ROUUACIJSA-N 0 3 317.433 2.096 20 30 DEEDHN N#CC(C(=O)CCn1cnccc1=O)c1ccc2ccccc2n1 ZINC000796714415 644781254 /nfs/dbraw/zinc/78/12/54/644781254.db2.gz NPXSTNJUHCFRIA-CQSZACIVSA-N 0 3 318.336 2.058 20 30 DEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1C(C)C ZINC000796749488 644786680 /nfs/dbraw/zinc/78/66/80/644786680.db2.gz VHWDQQNJJHPAEC-CYBMUJFWSA-N 0 3 311.345 2.129 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000798531132 645031228 /nfs/dbraw/zinc/03/12/28/645031228.db2.gz MCPHFSVNOZUJTK-WBVHZDCISA-N 0 3 301.434 2.464 20 30 DEEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1C#N ZINC000799617020 645196220 /nfs/dbraw/zinc/19/62/20/645196220.db2.gz IUGJCIXVYIWMFU-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN CCN1C[C@H](CN(C)CCO[C@H](C)C#N)Oc2ccccc21 ZINC000801911430 645460641 /nfs/dbraw/zinc/46/06/41/645460641.db2.gz KPQJUFMOARBCSY-CABCVRRESA-N 0 3 303.406 2.134 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000801914822 645461820 /nfs/dbraw/zinc/46/18/20/645461820.db2.gz FOBTXUWVCOTTBX-CQSZACIVSA-N 0 3 307.438 2.076 20 30 DEEDHN Cc1noc(C[C@H](NCCO[C@H](C)C#N)c2ccccc2)n1 ZINC000801949005 645468664 /nfs/dbraw/zinc/46/86/64/645468664.db2.gz AKHDUTACNIZYHN-DOMZBBRYSA-N 0 3 300.362 2.180 20 30 DEEDHN C=CCN1CCN(CN(CCC)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000840008276 645673177 /nfs/dbraw/zinc/67/31/77/645673177.db2.gz KUTLFSMYTGGETD-XHSDSOJGSA-N 0 3 321.465 2.393 20 30 DEEDHN COc1cccc(CN2CCC(Nc3ccnc(C#N)c3)CC2)c1 ZINC000804360645 645760438 /nfs/dbraw/zinc/76/04/38/645760438.db2.gz LWYGNKYSCFNPTI-UHFFFAOYSA-N 0 3 322.412 2.460 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000807054821 645906507 /nfs/dbraw/zinc/90/65/07/645906507.db2.gz YRQSZYHGNFFNOJ-KXBFYZLASA-N 0 3 319.408 2.456 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1cccs1 ZINC000912198661 645979127 /nfs/dbraw/zinc/97/91/27/645979127.db2.gz SZFCRBBKAYJPAX-RYUDHWBXSA-N 0 3 310.419 2.152 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000912440737 646065947 /nfs/dbraw/zinc/06/59/47/646065947.db2.gz JTVVWKWFOQFAMB-CZUORRHYSA-N 0 3 306.406 2.262 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(OC)c3C)CCC[C@H]12 ZINC000991393461 646135347 /nfs/dbraw/zinc/13/53/47/646135347.db2.gz ZMASDAWWMRIJIW-WMZOPIPTSA-N 0 3 315.417 2.311 20 30 DEEDHN CC[S@](=O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000810143052 646331066 /nfs/dbraw/zinc/33/10/66/646331066.db2.gz AFTJBFPZZBOHEZ-FQEVSTJZSA-N 0 3 304.337 2.435 20 30 DEEDHN C=C(Br)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810223345 646340730 /nfs/dbraw/zinc/34/07/30/646340730.db2.gz HNUKUFMQHMPRGQ-GFCCVEGCSA-N 0 3 307.207 2.224 20 30 DEEDHN C#CCC[NH+]1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000810429737 646361050 /nfs/dbraw/zinc/36/10/50/646361050.db2.gz QIMCOMVHCBJPHY-UHFFFAOYSA-N 0 3 306.793 2.263 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCCSC2)cc1 ZINC000810533507 646372171 /nfs/dbraw/zinc/37/21/71/646372171.db2.gz NVTIHRCPSTZSLM-SMDDNHRTSA-N 0 3 318.398 2.486 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)SC)c1 ZINC000156322663 646413964 /nfs/dbraw/zinc/41/39/64/646413964.db2.gz AFJHFMKMEMTGAZ-MFKMUULPSA-N 0 3 306.387 2.484 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3sccc32)C[C@@H]1C ZINC000947323632 646459547 /nfs/dbraw/zinc/45/95/47/646459547.db2.gz LOVVKSKXLQOOSX-RYUDHWBXSA-N 0 3 316.430 2.460 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(C)C ZINC000811993901 646600454 /nfs/dbraw/zinc/60/04/54/646600454.db2.gz ZUWSLAJVUSKCLM-IAGOWNOFSA-N 0 3 301.434 2.116 20 30 DEEDHN Cc1cc(NC[C@H]2CN3CCC[C@H]3CO2)c(C#N)cc1[N+](=O)[O-] ZINC000840251277 646644563 /nfs/dbraw/zinc/64/45/63/646644563.db2.gz IKMVPCRNHRTFRD-KBPBESRZSA-N 0 3 316.361 2.050 20 30 DEEDHN N#Cc1ccc(N2CCN(CCCCCCCO)CC2)nc1 ZINC000173560262 646773503 /nfs/dbraw/zinc/77/35/03/646773503.db2.gz AVFJLVMSMJYDOP-UHFFFAOYSA-N 0 3 302.422 2.018 20 30 DEEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)NCCc1ccc(OC)cc1 ZINC000173994934 646785658 /nfs/dbraw/zinc/78/56/58/646785658.db2.gz MRBMDWJVADEYQR-BBRMVZONSA-N 0 3 316.401 2.499 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001015005718 646842436 /nfs/dbraw/zinc/84/24/36/646842436.db2.gz WMSXXTYTBBMFRJ-VIFPVBQESA-N 0 3 303.284 2.074 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(F)cc3ccoc32)C1 ZINC001015017111 646852616 /nfs/dbraw/zinc/85/26/16/646852616.db2.gz BOJQFICJLOMJGZ-CQSZACIVSA-N 0 3 300.333 2.399 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@@H]12 ZINC000992150659 646875584 /nfs/dbraw/zinc/87/55/84/646875584.db2.gz IOFSLDOQSAYJTG-CJNGLKHVSA-N 0 3 305.809 2.418 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4nonc4c3)CCC[C@H]12 ZINC000992165326 646880632 /nfs/dbraw/zinc/88/06/32/646880632.db2.gz DBPPSVJBIZKVFD-DOTOQJQBSA-N 0 3 312.373 2.136 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3ocnc3C3CC3)CCC[C@H]12 ZINC000992170674 646883525 /nfs/dbraw/zinc/88/35/25/646883525.db2.gz KKWLYLJBUXGWCY-KSSFIOAISA-N 0 3 313.401 2.302 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nnn(C(C)C)c3C)CCC[C@H]12 ZINC000992396030 646969955 /nfs/dbraw/zinc/96/99/55/646969955.db2.gz UAEPNWVEWZFBLB-WMLDXEAASA-N 0 3 317.437 2.080 20 30 DEEDHN Cc1cc(Cl)cc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000815126325 646974874 /nfs/dbraw/zinc/97/48/74/646974874.db2.gz LISCGSOBLRQWED-FOCLMDBBSA-N 0 3 319.792 2.264 20 30 DEEDHN C#CCN(C(=O)NCC(C)(C)CC(F)F)C1CCN(C)CC1 ZINC000923998469 647002055 /nfs/dbraw/zinc/00/20/55/647002055.db2.gz CXBSTNRQHBSKSO-UHFFFAOYSA-N 0 3 315.408 2.407 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cn(C)nc1Cl ZINC000815904603 647063769 /nfs/dbraw/zinc/06/37/69/647063769.db2.gz KVHBMBVDRIAFDT-LBPRGKRZSA-N 0 3 324.812 2.021 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)n3nc(C)cc3C)CCC[C@@H]12 ZINC000992544685 647102462 /nfs/dbraw/zinc/10/24/62/647102462.db2.gz FXXXZHNFAZFAJN-JFIYKMOQSA-N 0 3 316.449 2.360 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2oc(C(C)C)nc2C)CC1 ZINC000816718114 647174275 /nfs/dbraw/zinc/17/42/75/647174275.db2.gz DUCDFSWGPZHYQO-UHFFFAOYSA-N 0 3 303.406 2.068 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC000992911490 647317781 /nfs/dbraw/zinc/31/77/81/647317781.db2.gz AOVQXPJNBQASOD-CXAGYDPISA-N 0 3 301.390 2.078 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC000993119545 647416107 /nfs/dbraw/zinc/41/61/07/647416107.db2.gz HHXZJAZUFSWYCB-CHWSQXEVSA-N 0 3 310.829 2.362 20 30 DEEDHN CC(C)(C)N(CCS(C)(=O)=O)CC1CCC(C#N)CC1 ZINC000929859035 647466091 /nfs/dbraw/zinc/46/60/91/647466091.db2.gz PYCISGLRLQHODX-UHFFFAOYSA-N 0 3 300.468 2.461 20 30 DEEDHN COC(=O)CCCN1CCC(N=Nc2ccc(F)cn2)CC1 ZINC000731320336 647466999 /nfs/dbraw/zinc/46/69/99/647466999.db2.gz YCXPNPJNJMBWBA-UHFFFAOYSA-N 0 3 308.357 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC2CCCC2)nc1 ZINC000818589166 647483116 /nfs/dbraw/zinc/48/31/16/647483116.db2.gz SMCUCILIRXVGTK-UHFFFAOYSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1ccc(Cl)c(C)c1 ZINC000818593058 647484384 /nfs/dbraw/zinc/48/43/84/647484384.db2.gz JOBKKYVOXSCUKX-UHFFFAOYSA-N 0 3 308.809 2.099 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1ccc(C(C)C)cc1 ZINC000818593092 647484567 /nfs/dbraw/zinc/48/45/67/647484567.db2.gz LTSXHPDQLKEEOC-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cccc(OCC(C)C)c1 ZINC000818609209 647488388 /nfs/dbraw/zinc/48/83/88/647488388.db2.gz OMIJQPDAUKOGDT-UHFFFAOYSA-N 0 3 302.418 2.406 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccnn2C2CCC2)[C@@H]1C ZINC000993366156 647628776 /nfs/dbraw/zinc/62/87/76/647628776.db2.gz NBALGAMQSSBEGC-GOEBONIOSA-N 0 3 314.433 2.214 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@H]1C ZINC000993498103 647681034 /nfs/dbraw/zinc/68/10/34/647681034.db2.gz DSCPWABTKZJRKP-RHSMWYFYSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ncc3ccccn32)[C@@H]1C ZINC000993584536 647696741 /nfs/dbraw/zinc/69/67/41/647696741.db2.gz AAXZWVIBNOQPCG-GOEBONIOSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(Cl)cn2C)[C@H]1C ZINC000993558895 647699427 /nfs/dbraw/zinc/69/94/27/647699427.db2.gz BJJSTPRVCWUVFH-OCCSQVGLSA-N 0 3 307.825 2.285 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@H]1C ZINC000993557943 647699657 /nfs/dbraw/zinc/69/96/57/647699657.db2.gz UTGSVURUJYHUJN-UKRRQHHQSA-N 0 3 302.422 2.139 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H]1C ZINC000993558978 647699737 /nfs/dbraw/zinc/69/97/37/647699737.db2.gz CEHSPXOLLQBURL-ZFWWWQNUSA-N 0 3 318.417 2.415 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H]1C ZINC000993560282 647700686 /nfs/dbraw/zinc/70/06/86/647700686.db2.gz HSESOALIFUFUHN-JSGCOSHPSA-N 0 3 304.390 2.025 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2noc3c2CCCC3)[C@H]1C ZINC000993862575 647753008 /nfs/dbraw/zinc/75/30/08/647753008.db2.gz QRAVYTMLMKOUIG-HIFRSBDPSA-N 0 3 315.417 2.159 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC000993883552 647757363 /nfs/dbraw/zinc/75/73/63/647757363.db2.gz ZGIMOWVPVOHVTA-DNVCBOLYSA-N 0 3 310.441 2.394 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C)ncc2Cl)[C@@H]1C ZINC000993942390 647770310 /nfs/dbraw/zinc/77/03/10/647770310.db2.gz QSNKDSAMHCFMSJ-FZMZJTMJSA-N 0 3 320.824 2.044 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cn2ncc3ccccc32)[C@H]1C ZINC000994003835 647776372 /nfs/dbraw/zinc/77/63/72/647776372.db2.gz AGWRMTJSISIRIN-NVXWUHKLSA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c3ccccc3nn2C)[C@H]1C ZINC000994147117 647794375 /nfs/dbraw/zinc/79/43/75/647794375.db2.gz NOXSUEKTXUIIOH-GDBMZVCRSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H]1C ZINC000994166548 647798655 /nfs/dbraw/zinc/79/86/55/647798655.db2.gz KZBOWEONNUWSHQ-GOEBONIOSA-N 0 3 313.445 2.500 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(C(C)C)c2)[C@H]1C ZINC000994205314 647804691 /nfs/dbraw/zinc/80/46/91/647804691.db2.gz FRBSBDPWWUQUJG-ZBFHGGJFSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@H]1C ZINC000994201152 647808657 /nfs/dbraw/zinc/80/86/57/647808657.db2.gz HXYZCVUJLNUCFW-HIFRSBDPSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(N(C)C)cc2)[C@H]1C ZINC000994293913 647905928 /nfs/dbraw/zinc/90/59/28/647905928.db2.gz CZBWMEJHXNEFSG-QAPCUYQASA-N 0 3 313.445 2.359 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1nc(C)cc1C ZINC000916877646 647936887 /nfs/dbraw/zinc/93/68/87/647936887.db2.gz IRZHEMSUOFNFKA-LSDHHAIUSA-N 0 3 318.421 2.466 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1CCOCC1 ZINC000916908812 647941627 /nfs/dbraw/zinc/94/16/27/647941627.db2.gz JHLDIXKZAXKGKU-NSHDSACASA-N 0 3 306.749 2.414 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCC(C)(F)F)cc1 ZINC000917038968 647957252 /nfs/dbraw/zinc/95/72/52/647957252.db2.gz XDNXPZYHLBPVFH-ZDUSSCGKSA-N 0 3 324.327 2.456 20 30 DEEDHN CCN1CCC[C@@H](NC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000918548516 648087662 /nfs/dbraw/zinc/08/76/62/648087662.db2.gz WIEWOAIBYPYWKJ-CQSZACIVSA-N 0 3 302.378 2.195 20 30 DEEDHN C#CCOc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC000821716361 648095941 /nfs/dbraw/zinc/09/59/41/648095941.db2.gz QKVNVWVWBITUGS-QGZVFWFLSA-N 0 3 300.402 2.188 20 30 DEEDHN C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)c1 ZINC000822770983 648283613 /nfs/dbraw/zinc/28/36/13/648283613.db2.gz OIUVMRYMYDJTFG-MCIONIFRSA-N 0 3 310.357 2.075 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CCN1C ZINC000925335358 648317124 /nfs/dbraw/zinc/31/71/24/648317124.db2.gz MQBVQZPHMJIULO-ORQFMDKSSA-N 0 3 312.417 2.028 20 30 DEEDHN COc1cc(C(=O)NC[C@H](C)N2CCCCC2)ccc1C#N ZINC000822953558 648321675 /nfs/dbraw/zinc/32/16/75/648321675.db2.gz LOQBZKLBPFZJGQ-ZDUSSCGKSA-N 0 3 301.390 2.171 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)C[C@@H]1C ZINC000947879243 648474933 /nfs/dbraw/zinc/47/49/33/648474933.db2.gz XJCPDNUYLWGWOD-DZGCQCFKSA-N 0 3 315.417 2.233 20 30 DEEDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000182361418 648883397 /nfs/dbraw/zinc/88/33/97/648883397.db2.gz CKKQKIHQUZDDBE-SJKOYZFVSA-N 0 3 319.405 2.106 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000826663048 648900638 /nfs/dbraw/zinc/90/06/38/648900638.db2.gz WAZKFDSATFBDLK-CYBMUJFWSA-N 0 3 300.402 2.390 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCCO2)C(C)(C)C1 ZINC000940668876 648919697 /nfs/dbraw/zinc/91/96/97/648919697.db2.gz AMKAEMAFDYUZSG-JKSUJKDBSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)C[C@H]1C ZINC000947889632 648925545 /nfs/dbraw/zinc/92/55/45/648925545.db2.gz 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CCC(=O)N[C@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000941693236 649071109 /nfs/dbraw/zinc/07/11/09/649071109.db2.gz SKUYUVOXJDMCLL-YOEHRIQHSA-N 0 3 315.417 2.326 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3cccnc3n2)[C@H](C)C1 ZINC000942064913 649144550 /nfs/dbraw/zinc/14/45/50/649144550.db2.gz XWOUHLAFNJCQCP-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@@H](C)C1 ZINC000942127165 649162749 /nfs/dbraw/zinc/16/27/49/649162749.db2.gz PBHRGXHLBXPWEP-UWVGGRQHSA-N 0 3 316.327 2.055 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)[C@@H](C)C1 ZINC000942147936 649168111 /nfs/dbraw/zinc/16/81/11/649168111.db2.gz OIYOAZNMUIJDFL-WFASDCNBSA-N 0 3 311.385 2.210 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H](C)C1 ZINC000942168493 649171767 /nfs/dbraw/zinc/17/17/67/649171767.db2.gz VGZNCMFPYKETFM-DOMZBBRYSA-N 0 3 311.385 2.210 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)sc2C)[C@@H](C)C1 ZINC000942177174 649175876 /nfs/dbraw/zinc/17/58/76/649175876.db2.gz 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CC#CCN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)[C@H](C)C1 ZINC000942823320 649290274 /nfs/dbraw/zinc/29/02/74/649290274.db2.gz SZVLICDYSOZOEC-PBHICJAKSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(CC)ncnc2CC)[C@H](C)C1 ZINC000942859934 649294757 /nfs/dbraw/zinc/29/47/57/649294757.db2.gz PMEJLZBSTHCEOU-CZUORRHYSA-N 0 3 316.449 2.228 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000942939723 649303642 /nfs/dbraw/zinc/30/36/42/649303642.db2.gz QCKYNXHSUBWKTO-WMLDXEAASA-N 0 3 312.413 2.085 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000829769290 649352663 /nfs/dbraw/zinc/35/26/63/649352663.db2.gz SBLTXRNSSWHZNX-AWEZNQCLSA-N 0 3 302.443 2.368 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCc2c(F)cccc2F)C1 ZINC000829783748 649355200 /nfs/dbraw/zinc/35/52/00/649355200.db2.gz BRPCEYYPIIPTAK-CQSZACIVSA-N 0 3 320.383 2.359 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2csc(C3CC3)n2)[C@H](C)C1 ZINC000943333925 649368443 /nfs/dbraw/zinc/36/84/43/649368443.db2.gz LBCHIRKLVQDLLY-IUODEOHRSA-N 0 3 317.458 2.023 20 30 DEEDHN CC(C)C#CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000829889136 649370339 /nfs/dbraw/zinc/37/03/39/649370339.db2.gz LTCIQMOQAMMSOS-UHFFFAOYSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@H](C)C1 ZINC000943989794 649468537 /nfs/dbraw/zinc/46/85/37/649468537.db2.gz XDAWCBWZUWPCRB-NEPJUHHUSA-N 0 3 301.415 2.303 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H](C)C1 ZINC000944077709 649480045 /nfs/dbraw/zinc/48/00/45/649480045.db2.gz CYSQYMLRZCYKKR-JSGCOSHPSA-N 0 3 304.438 2.333 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2sccc2OC)[C@H](C)C1 ZINC000944242706 649501829 /nfs/dbraw/zinc/50/18/29/649501829.db2.gz WEMSBIASPQYBCB-CHWSQXEVSA-N 0 3 306.431 2.220 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc(OC)c2)[C@H](C)C1 ZINC000944317136 649510342 /nfs/dbraw/zinc/51/03/42/649510342.db2.gz IRKIQROYASBXSK-PBHICJAKSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000944534087 649530913 /nfs/dbraw/zinc/53/09/13/649530913.db2.gz RKLBSUQPGNZOOU-QAPCUYQASA-N 0 3 314.429 2.088 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000944555233 649533807 /nfs/dbraw/zinc/53/38/07/649533807.db2.gz WJBSTQMRUPRIPX-LRDDRELGSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn3c(cccc3C)n2)[C@@H](C)C1 ZINC000944830095 649573368 /nfs/dbraw/zinc/57/33/68/649573368.db2.gz ILJZWKLYRJRRLT-GOEBONIOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000944890046 649581434 /nfs/dbraw/zinc/58/14/34/649581434.db2.gz JWWXAKGZOLAWPT-DNVCBOLYSA-N 0 3 310.441 2.178 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)onc2CC)[C@H](C)C1 ZINC000944907810 649585743 /nfs/dbraw/zinc/58/57/43/649585743.db2.gz PCMKKBPCWMPFIV-IUODEOHRSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cncnc2C(C)C)[C@@H](C)C1 ZINC000944978690 649594714 /nfs/dbraw/zinc/59/47/14/649594714.db2.gz QGTUGBBQQBINHW-ZFWWWQNUSA-N 0 3 302.422 2.226 20 30 DEEDHN CC[C@H](C)N1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000832188378 649683122 /nfs/dbraw/zinc/68/31/22/649683122.db2.gz ZLYMTBVXCLBMKZ-YOEHRIQHSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC2(CCc3ccccc3C2)CC1 ZINC000844350294 651116075 /nfs/dbraw/zinc/11/60/75/651116075.db2.gz DSKJZYRAFWQXNG-INIZCTEOSA-N 0 3 310.441 2.395 20 30 DEEDHN CN(CCO[C@@H]1CCCCO1)C[C@H](O)c1cccc(C#N)c1 ZINC000844367765 651118641 /nfs/dbraw/zinc/11/86/41/651118641.db2.gz BVBQDSHITQIHMH-DLBZAZTESA-N 0 3 304.390 2.067 20 30 DEEDHN C=C(C)CONC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000845616601 651261521 /nfs/dbraw/zinc/26/15/21/651261521.db2.gz UYBJEMUGEWPCGZ-KRWDZBQOSA-N 0 3 303.406 2.458 20 30 DEEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000845632479 651263799 /nfs/dbraw/zinc/26/37/99/651263799.db2.gz BFZDZOZZABFVBI-CYBMUJFWSA-N 0 3 309.385 2.405 20 30 DEEDHN Cc1ncc(CO)c(/C=N/[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[O-] ZINC000846756501 651349388 /nfs/dbraw/zinc/34/93/88/651349388.db2.gz JBTILBKQVKMLOH-QVDZNFLWSA-N 0 3 303.406 2.024 20 30 DEEDHN Cc1ncc(CO)c(/C=N/[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[O-] ZINC000846756501 651349389 /nfs/dbraw/zinc/34/93/89/651349389.db2.gz JBTILBKQVKMLOH-QVDZNFLWSA-N 0 3 303.406 2.024 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000848143350 651440398 /nfs/dbraw/zinc/44/03/98/651440398.db2.gz UUEUYCHFHQMOMF-MRXNPFEDSA-N 0 3 320.820 2.373 20 30 DEEDHN COC(=O)N(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848397815 651456169 /nfs/dbraw/zinc/45/61/69/651456169.db2.gz MLFUXLHQUPFCQO-AWEZNQCLSA-N 0 3 318.377 2.239 20 30 DEEDHN c1cnn(-c2ccc(N=NC3CCCN4CCCC[C@@H]34)nn2)c1 ZINC000848403002 651456501 /nfs/dbraw/zinc/45/65/01/651456501.db2.gz LNLNPIAHGSCVQE-AWEZNQCLSA-N 0 3 311.393 2.079 20 30 DEEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@H](N)CCCCC#N ZINC000848407617 651456727 /nfs/dbraw/zinc/45/67/27/651456727.db2.gz SDLMRGSYQHYDCS-WQVCFCJDSA-N 0 3 321.396 2.165 20 30 DEEDHN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000848415811 651457226 /nfs/dbraw/zinc/45/72/26/651457226.db2.gz YLIWBYRDUSRVTJ-ZBFHGGJFSA-N 0 3 314.433 2.265 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000854664188 651529666 /nfs/dbraw/zinc/52/96/66/651529666.db2.gz PKOOPFMYGSXJPT-KRWDZBQOSA-N 0 3 324.428 2.003 20 30 DEEDHN C#CCC(C)(C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000855527716 651720792 /nfs/dbraw/zinc/72/07/92/651720792.db2.gz ONNJWQGZHUJEHG-UHFFFAOYSA-N 0 3 313.445 2.459 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccccc1F ZINC000109038399 651795914 /nfs/dbraw/zinc/79/59/14/651795914.db2.gz OXYGJZOEMIHBAI-JSGCOSHPSA-N 0 3 320.364 2.181 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000850758738 651982827 /nfs/dbraw/zinc/98/28/27/651982827.db2.gz ISLYQACYZLRDBB-RWMBFGLXSA-N 0 3 316.357 2.158 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCCOc1ccc(Cl)cc1 ZINC000852098559 652338097 /nfs/dbraw/zinc/33/80/97/652338097.db2.gz QDCHUYKIDLFJRP-MRXNPFEDSA-N 0 3 308.809 2.227 20 30 DEEDHN CC(C)n1cc(C2=CCCN(CCO[C@@H](C)C#N)CC2)nn1 ZINC000852134949 652349045 /nfs/dbraw/zinc/34/90/45/652349045.db2.gz IXNDKUXJISYCAG-AWEZNQCLSA-N 0 3 303.410 2.267 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000852410159 652396782 /nfs/dbraw/zinc/39/67/82/652396782.db2.gz JGXDXDVXUXYPKZ-OAHLLOKOSA-N 0 3 322.449 2.076 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CCC1(F)F)NCc1ccc(C#N)s1 ZINC001390412198 1155706921 /nfs/dbraw/zinc/70/69/21/1155706921.db2.gz WCTHTDVMNGQICD-BXKDBHETSA-N 0 3 313.373 2.259 20 30 DEEDHN N#CC(C(=O)CCN1C(=O)COc2ccccc21)c1ccccn1 ZINC000041493173 683890522 /nfs/dbraw/zinc/89/05/22/683890522.db2.gz SZOGBYNXCKJLCD-CYBMUJFWSA-N 0 3 321.336 2.074 20 30 DEEDHN C#CCCOc1ccc(CN(C)CCN2CCCC2=O)cc1 ZINC000093320352 684049771 /nfs/dbraw/zinc/04/97/71/684049771.db2.gz XNUQMBMPFYQLJX-UHFFFAOYSA-N 0 3 300.402 2.143 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000113653031 684062121 /nfs/dbraw/zinc/06/21/21/684062121.db2.gz CXSDYLGOPNGVTK-ONGXEEELSA-N 0 3 324.739 2.257 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905835 684063539 /nfs/dbraw/zinc/06/35/39/684063539.db2.gz KQNRBDHPJMVPDL-HNNXBMFYSA-N 0 3 300.358 2.210 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116591908 684065350 /nfs/dbraw/zinc/06/53/50/684065350.db2.gz GYKGZKKGBXVBIV-DOMZBBRYSA-N 0 3 320.364 2.181 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1cn(C)c2ccccc12 ZINC000120084812 684092040 /nfs/dbraw/zinc/09/20/40/684092040.db2.gz NQMNXVQUYPSVSS-OAHLLOKOSA-N 0 3 311.385 2.344 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCO2)cc1 ZINC000121973931 684111744 /nfs/dbraw/zinc/11/17/44/684111744.db2.gz JMUUMPICUBXTOY-GJZGRUSLSA-N 0 3 300.358 2.465 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccn(C2CCCC2)n1 ZINC000122119314 684112472 /nfs/dbraw/zinc/11/24/72/684112472.db2.gz GMQIKPUSNKHOMW-ZDUSSCGKSA-N 0 3 323.356 2.354 20 30 DEEDHN COCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000130365076 684188008 /nfs/dbraw/zinc/18/80/08/684188008.db2.gz WIMSZPPWBGBMIE-NSHDSACASA-N 0 3 324.764 2.423 20 30 DEEDHN Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130570313 684190340 /nfs/dbraw/zinc/19/03/40/684190340.db2.gz DEDBWOFFFBFCTR-AWEZNQCLSA-N 0 3 300.358 2.191 20 30 DEEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccncc1 ZINC000137221950 684243824 /nfs/dbraw/zinc/24/38/24/684243824.db2.gz OKKXWRVNMSMBAT-JSGCOSHPSA-N 0 3 308.341 2.318 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(F)nc1)C2 ZINC001054101749 693844951 /nfs/dbraw/zinc/84/49/51/693844951.db2.gz DKZPZIPKRLNCLY-GOSISDBHSA-N 0 3 315.392 2.172 20 30 DEEDHN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccn[nH]1)C2 ZINC001054108570 693848162 /nfs/dbraw/zinc/84/81/62/693848162.db2.gz VVTLVDTYYXVJEJ-MRXNPFEDSA-N 0 3 322.840 2.019 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c(C)coc1C)C2 ZINC001054126198 693855145 /nfs/dbraw/zinc/85/51/45/693855145.db2.gz CEHUUSLYQIQWTP-SFHVURJKSA-N 0 3 300.402 2.458 20 30 DEEDHN CC[C@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130507 693856884 /nfs/dbraw/zinc/85/68/84/693856884.db2.gz RHNQWLDMXRQPLX-FUHWJXTLSA-N 0 3 306.425 2.462 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001054182702 693873412 /nfs/dbraw/zinc/87/34/12/693873412.db2.gz PZIDQLXWECHKAE-FAJBIJEISA-N 0 3 300.446 2.370 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCC[C@]3(CCN(CC#CC)C3)C2)c1 ZINC001054194196 693876690 /nfs/dbraw/zinc/87/66/90/693876690.db2.gz LYPVBWKGIZDPMA-HXUWFJFHSA-N 0 3 321.424 2.014 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cccc(OC)c1)C2 ZINC001054232902 693893734 /nfs/dbraw/zinc/89/37/34/693893734.db2.gz XRMTZZRBZNRYIQ-IBGZPJMESA-N 0 3 312.413 2.257 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cnns3)cc2C1 ZINC001054256771 693903902 /nfs/dbraw/zinc/90/39/02/693903902.db2.gz MULVIDDVWOJHCC-UHFFFAOYSA-N 0 3 314.414 2.360 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCOCC1 ZINC000193395974 685039419 /nfs/dbraw/zinc/03/94/19/685039419.db2.gz PNNBWGNKRZUXGJ-ZDUSSCGKSA-N 0 3 306.749 2.414 20 30 DEEDHN C[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054325174 693931769 /nfs/dbraw/zinc/93/17/69/693931769.db2.gz XIYDNLYAPRDKEL-PXAZEXFGSA-N 0 3 315.392 2.434 20 30 DEEDHN C#C[C@@H](C)NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000251436500 685191362 /nfs/dbraw/zinc/19/13/62/685191362.db2.gz CIMKISMMWBHCIZ-WBVHZDCISA-N 0 3 301.434 2.464 20 30 DEEDHN N#Cc1ccc(OCCCN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859885457 685847766 /nfs/dbraw/zinc/84/77/66/685847766.db2.gz WPULCIAZAIFTGG-HYFFOGBASA-N 0 3 318.442 2.313 20 30 DEEDHN CCOCCOCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000929516848 693971471 /nfs/dbraw/zinc/97/14/71/693971471.db2.gz PKQPSWNJWABGPH-UHFFFAOYSA-N 0 3 318.417 2.455 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cn1nccc1C)c1ccccc1 ZINC000860694064 685952269 /nfs/dbraw/zinc/95/22/69/685952269.db2.gz KTINGYNTYVBESN-HZPDHXFCSA-N 0 3 324.384 2.168 20 30 DEEDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc(C#N)cc2C)C1 ZINC000861351174 686056416 /nfs/dbraw/zinc/05/64/16/686056416.db2.gz 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/nfs/dbraw/zinc/96/45/79/686964579.db2.gz PDMWOPZNCQAQMU-INIZCTEOSA-N 0 3 300.402 2.147 20 30 DEEDHN CCC[C@H](C)C(=O)NCCNCc1cc(C#N)ccc1N(C)C ZINC000865579319 687266404 /nfs/dbraw/zinc/26/64/04/687266404.db2.gz YFQSFWLVBVNZDC-AWEZNQCLSA-N 0 3 316.449 2.266 20 30 DEEDHN N#Cc1ccc(C2=CCN(C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000930159050 694103141 /nfs/dbraw/zinc/10/31/41/694103141.db2.gz QQANKTXUBYZGAU-QYZOEREBSA-N 0 3 310.397 2.451 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001015839096 687437662 /nfs/dbraw/zinc/43/76/62/687437662.db2.gz FLLWGGZKJMWKSW-CQSZACIVSA-N 0 3 302.393 2.317 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC001015856946 687442363 /nfs/dbraw/zinc/44/23/63/687442363.db2.gz AEBBGJPNSQKGFH-ZDUSSCGKSA-N 0 3 319.474 2.197 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCCc3sc(C)nc32)C1 ZINC001015982800 687490008 /nfs/dbraw/zinc/49/00/08/687490008.db2.gz VCLZZDLNWFAYEL-ZIAGYGMSSA-N 0 3 317.458 2.085 20 30 DEEDHN CN1CCN(C2CCN(c3c(Cl)cccc3C#N)CC2)CC1 ZINC000866214937 687495920 /nfs/dbraw/zinc/49/59/20/687495920.db2.gz TVNVPWAMRXROID-UHFFFAOYSA-N 0 3 318.852 2.428 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)CN1C1CC1 ZINC000866457694 687580113 /nfs/dbraw/zinc/58/01/13/687580113.db2.gz SSDJNXMVTQYAEN-SMDDNHRTSA-N 0 3 308.385 2.395 20 30 DEEDHN COc1ccc(CN2CCC3(C[C@H]3NC(C)=O)CC2)cc1C#N ZINC001016452777 687625494 /nfs/dbraw/zinc/62/54/94/687625494.db2.gz VSLMBBPLCGXPCE-QGZVFWFLSA-N 0 3 313.401 2.057 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)Cc2ccsc2)CC1 ZINC001016488869 687636626 /nfs/dbraw/zinc/63/66/26/687636626.db2.gz JCUQJKSZKFFCDV-OAHLLOKOSA-N 0 3 302.443 2.285 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cnc(C)s2)CC1 ZINC001016534622 687646962 /nfs/dbraw/zinc/64/69/62/687646962.db2.gz JZFVUWUWPUHRPQ-CQSZACIVSA-N 0 3 303.431 2.059 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CC23CCN(C/C=C/Cl)CC3)c[nH]1 ZINC001016588872 687658970 /nfs/dbraw/zinc/65/89/70/687658970.db2.gz SOTNLYDMOKLCNI-KHZFFFCDSA-N 0 3 318.808 2.223 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(F)c(F)c2)CC1 ZINC001016660044 687677405 /nfs/dbraw/zinc/67/74/05/687677405.db2.gz XATYQAKKQZMYQF-HNNXBMFYSA-N 0 3 304.340 2.182 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001016676878 687680500 /nfs/dbraw/zinc/68/05/00/687680500.db2.gz WQHVXCQAHBXRMI-INIZCTEOSA-N 0 3 322.412 2.122 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc3oc(C)nc3c2)CC1 ZINC001016683420 687681574 /nfs/dbraw/zinc/68/15/74/687681574.db2.gz UUYODTZUGOXGTK-KRWDZBQOSA-N 0 3 323.396 2.354 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2c[nH]nc2C(C)C)CC1 ZINC001016708653 687687238 /nfs/dbraw/zinc/68/72/38/687687238.db2.gz GKGDGSNNYTXJBQ-OAHLLOKOSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC001016792413 687704018 /nfs/dbraw/zinc/70/40/18/687704018.db2.gz YTYPMYBCGVAZDW-IAGOWNOFSA-N 0 3 323.440 2.105 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2nccc3[nH]ccc32)CC1 ZINC001016829587 687712194 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2.434 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)/C=C/C3CC3)C2)ccc1F ZINC001018668353 688200712 /nfs/dbraw/zinc/20/07/12/688200712.db2.gz QZSBDZIHTNUGFX-NBUZRDOWSA-N 0 3 313.376 2.354 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001019087237 688282413 /nfs/dbraw/zinc/28/24/13/688282413.db2.gz JPVOHLOPEQMFNL-NSHDSACASA-N 0 3 301.777 2.259 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)C3(CF)CC3)C2)ccc1F ZINC001019358523 688339473 /nfs/dbraw/zinc/33/94/73/688339473.db2.gz IUAKZNHTKSFVFN-AWEZNQCLSA-N 0 3 319.355 2.138 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001020187589 688482123 /nfs/dbraw/zinc/48/21/23/688482123.db2.gz DDSLGPRLYKBEEJ-RBSFLKMASA-N 0 3 320.820 2.370 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001020242437 688489909 /nfs/dbraw/zinc/48/99/09/688489909.db2.gz UEKVCPGYBRCONR-MGCOHNPYSA-N 0 3 322.821 2.294 20 30 DEEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CCOCC1 ZINC000870135674 688494274 /nfs/dbraw/zinc/49/42/74/688494274.db2.gz BNROSTLLOQFSSD-RHSMWYFYSA-N 0 3 317.389 2.101 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000870134693 688494707 /nfs/dbraw/zinc/49/47/07/688494707.db2.gz SLXDECWVNVWLLT-DZGCQCFKSA-N 0 3 318.421 2.233 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001020295313 688499185 /nfs/dbraw/zinc/49/91/85/688499185.db2.gz RPRHSQXFEOWDTK-HAQNSBGRSA-N 0 3 313.854 2.292 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(OC)cccc1OC ZINC001028283262 688534577 /nfs/dbraw/zinc/53/45/77/688534577.db2.gz ZUNZWVKHJPPUIB-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001028765854 688542997 /nfs/dbraw/zinc/54/29/97/688542997.db2.gz HRCSXKGEOJRVMM-AYOQOUSVSA-N 0 3 310.441 2.424 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001029027560 688550557 /nfs/dbraw/zinc/55/05/57/688550557.db2.gz NRBZKYMOXFELAK-ZDUSSCGKSA-N 0 3 306.356 2.483 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000872233571 688959157 /nfs/dbraw/zinc/95/91/57/688959157.db2.gz VAFXQJLVGUGZNK-MCIONIFRSA-N 0 3 306.410 2.323 20 30 DEEDHN CCc1ccccc1CN1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031622563 688966325 /nfs/dbraw/zinc/96/63/25/688966325.db2.gz XLRLCFUWYRJTLO-UHFFFAOYSA-N 0 3 322.412 2.311 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cnc3ccccc3c2C)C1 ZINC001031856455 689009388 /nfs/dbraw/zinc/00/93/88/689009388.db2.gz YPKSDRPJNYMBFF-UHFFFAOYSA-N 0 3 307.397 2.228 20 30 DEEDHN C=C1CCC(C(=O)NCC2CN(C[C@@H]3CC[C@@H](C)O3)C2)CC1 ZINC001031951541 689028263 /nfs/dbraw/zinc/02/82/63/689028263.db2.gz LWGBLLLDCBNOJB-PBHICJAKSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2c(C)nn(CC)c2Cl)C1 ZINC001032196888 689081859 /nfs/dbraw/zinc/08/18/59/689081859.db2.gz QANGBHCQJVSIFJ-UHFFFAOYSA-N 0 3 310.829 2.103 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C2CC2)no1 ZINC001032440637 689152395 /nfs/dbraw/zinc/15/23/95/689152395.db2.gz NBAKYRBQSHSUKU-GJZGRUSLSA-N 0 3 315.417 2.346 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1ccc(C)c2C ZINC001032454371 689155769 /nfs/dbraw/zinc/15/57/69/689155769.db2.gz OJDLKQCPRPUDTD-HOTGVXAUSA-N 0 3 324.428 2.426 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2cncc2c1 ZINC001032499520 689168457 /nfs/dbraw/zinc/16/84/57/689168457.db2.gz BGJWNRKXHUHTLY-IRXDYDNUSA-N 0 3 310.401 2.199 20 30 DEEDHN COc1ccc(C[C@](C)(CO)NCc2ccc(C#N)o2)cc1 ZINC000873191596 689179703 /nfs/dbraw/zinc/17/97/03/689179703.db2.gz QGSCSAISLKAHGS-QGZVFWFLSA-N 0 3 300.358 2.243 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cccnc21 ZINC001032592549 689196184 /nfs/dbraw/zinc/19/61/84/689196184.db2.gz PUEPJOCWOYYDTP-ULQDDVLXSA-N 0 3 311.429 2.363 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1cccnc1 ZINC001032620126 689203741 /nfs/dbraw/zinc/20/37/41/689203741.db2.gz SOPQZADKPOPGPI-PMPSAXMXSA-N 0 3 315.417 2.100 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(OC)cc1 ZINC001032769373 689254109 /nfs/dbraw/zinc/25/41/09/689254109.db2.gz HHFQHSGMDCHHRH-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(C)n1 ZINC001032769900 689254122 /nfs/dbraw/zinc/25/41/22/689254122.db2.gz DAWBBQBBRAAEAE-GJZGRUSLSA-N 0 3 305.447 2.245 20 30 DEEDHN CC(C)N1C(=O)CC[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000873524592 689265373 /nfs/dbraw/zinc/26/53/73/689265373.db2.gz XLOKLRJLOBJEDE-WBMJQRKESA-N 0 3 322.368 2.205 20 30 DEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033085750 689382708 /nfs/dbraw/zinc/38/27/08/689382708.db2.gz ASGBINIGALURCH-GFCCVEGCSA-N 0 3 309.435 2.264 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001033091578 689383585 /nfs/dbraw/zinc/38/35/85/689383585.db2.gz LMLNQVRROPRDEI-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C3CCC3)cnn2C)C1 ZINC001033096941 689386035 /nfs/dbraw/zinc/38/60/35/689386035.db2.gz RJDKPBKFQQSPJQ-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(OCC=C)cc2)C1 ZINC001033203806 689424658 /nfs/dbraw/zinc/42/46/58/689424658.db2.gz OBHSCWBIYYVKQT-KRWDZBQOSA-N 0 3 312.413 2.421 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001033228986 689431745 /nfs/dbraw/zinc/43/17/45/689431745.db2.gz SRUQQTGIXCRYSC-ZDUSSCGKSA-N 0 3 304.438 2.430 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001033255915 689440548 /nfs/dbraw/zinc/44/05/48/689440548.db2.gz NPITZORYEPKCJO-YESZJQIVSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001033305644 689455533 /nfs/dbraw/zinc/45/55/33/689455533.db2.gz XYIZTIFRANACBJ-CYBMUJFWSA-N 0 3 322.840 2.287 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)C1 ZINC001033418375 689494933 /nfs/dbraw/zinc/49/49/33/689494933.db2.gz AFGBCWOIFLBOPS-CQSZACIVSA-N 0 3 313.873 2.004 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cn2ccnc2C(C)C)C1 ZINC001033467482 689510949 /nfs/dbraw/zinc/51/09/49/689510949.db2.gz PVCIBCBPPMMSLO-HNNXBMFYSA-N 0 3 304.438 2.115 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(F)c2OCC)C1 ZINC001033539513 689535848 /nfs/dbraw/zinc/53/58/48/689535848.db2.gz JSOUUWMSDRMUJS-AWEZNQCLSA-N 0 3 318.392 2.394 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2OCc3ccccc32)C1 ZINC001033621647 689562528 /nfs/dbraw/zinc/56/25/28/689562528.db2.gz BUUIPXDGZZQODF-DOTOQJQBSA-N 0 3 300.402 2.367 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001033626084 689564788 /nfs/dbraw/zinc/56/47/88/689564788.db2.gz ZWSJEMJWEWKFEP-LSDHHAIUSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000875060516 689565258 /nfs/dbraw/zinc/56/52/58/689565258.db2.gz NVGUZMRKIOVURL-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033681088 689582191 /nfs/dbraw/zinc/58/21/91/689582191.db2.gz QFPUISNKKGMGJH-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cc3ccccc3n2C)C1 ZINC001033698501 689587224 /nfs/dbraw/zinc/58/72/24/689587224.db2.gz SNSGLSWWIMLGLV-MRXNPFEDSA-N 0 3 311.429 2.440 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001033699533 689588456 /nfs/dbraw/zinc/58/84/56/689588456.db2.gz NWQROZMKQYIXCH-XLIONFOSSA-N 0 3 310.441 2.447 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2([C@H]3CCCCO3)CCC2)CC1 ZINC000875249412 689595629 /nfs/dbraw/zinc/59/56/29/689595629.db2.gz ZPGQWAWGRFNBBP-MRXNPFEDSA-N 0 3 321.465 2.428 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001033837054 689631847 /nfs/dbraw/zinc/63/18/47/689631847.db2.gz QVJLBJQCJGMEBK-JKSUJKDBSA-N 0 3 316.449 2.329 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c(Cl)cnn2CC)C1 ZINC001033849806 689637857 /nfs/dbraw/zinc/63/78/57/689637857.db2.gz IZQBBFCPDUAAMK-ZDUSSCGKSA-N 0 3 322.840 2.116 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3nccn32)C1 ZINC001033856384 689640462 /nfs/dbraw/zinc/64/04/62/689640462.db2.gz SBNRXJLIQKQIMX-HZPDHXFCSA-N 0 3 316.449 2.259 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001033877675 689648127 /nfs/dbraw/zinc/64/81/27/689648127.db2.gz CORPUFTZMUCEPM-HOTGVXAUSA-N 0 3 316.449 2.259 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001033889682 689651748 /nfs/dbraw/zinc/65/17/48/689651748.db2.gz WHHHUXCWNLYGFE-AWEZNQCLSA-N 0 3 316.449 2.267 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ncc3ccccn32)C1 ZINC001033896309 689654636 /nfs/dbraw/zinc/65/46/36/689654636.db2.gz HQZMQFPBSLPPHS-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001033900962 689656014 /nfs/dbraw/zinc/65/60/14/689656014.db2.gz NXNYZKWPLKNNAC-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nccc3occc32)C1 ZINC001033903199 689657041 /nfs/dbraw/zinc/65/70/41/689657041.db2.gz DFGFRKSXXCXUEF-AWEZNQCLSA-N 0 3 311.385 2.388 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn(CC)c2C)C1 ZINC001033932387 689666154 /nfs/dbraw/zinc/66/61/54/689666154.db2.gz MQUYRPROMBKWCK-INIZCTEOSA-N 0 3 301.434 2.376 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3cnccc3n2)C1 ZINC001033975084 689679828 /nfs/dbraw/zinc/67/98/28/689679828.db2.gz JFSPZUXLWWTCOV-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033985640 689683773 /nfs/dbraw/zinc/68/37/73/689683773.db2.gz FAEDCNOPZJWWRZ-SFHVURJKSA-N 0 3 312.413 2.277 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001034060387 689709887 /nfs/dbraw/zinc/70/98/87/689709887.db2.gz PSKDZCMHGFLZAR-GOSISDBHSA-N 0 3 313.445 2.384 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001034238707 689776787 /nfs/dbraw/zinc/77/67/87/689776787.db2.gz LQVFZFRZKFTYBX-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001034278650 689792059 /nfs/dbraw/zinc/79/20/59/689792059.db2.gz LMTPJQHAFRDHNB-OAHLLOKOSA-N 0 3 312.417 2.344 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnc3ccccn23)C1 ZINC001034281001 689793178 /nfs/dbraw/zinc/79/31/78/689793178.db2.gz AOEIWWURUFMGHK-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001034318809 689808806 /nfs/dbraw/zinc/80/88/06/689808806.db2.gz BWNSJAUBEFREKJ-MRXNPFEDSA-N 0 3 304.438 2.163 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001034338058 689814805 /nfs/dbraw/zinc/81/48/05/689814805.db2.gz LBJUCCHJXCDFFT-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001034417170 689841702 /nfs/dbraw/zinc/84/17/02/689841702.db2.gz DXLBPLRCCVQDFQ-CQSZACIVSA-N 0 3 302.422 2.141 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001034444458 689852794 /nfs/dbraw/zinc/85/27/94/689852794.db2.gz PZMDMHZLGIQREL-INIZCTEOSA-N 0 3 316.449 2.127 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC001034463436 689859039 /nfs/dbraw/zinc/85/90/39/689859039.db2.gz UFDYFSJUBODLGT-CQSZACIVSA-N 0 3 305.426 2.019 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000876567700 689859420 /nfs/dbraw/zinc/85/94/20/689859420.db2.gz PUMVXISVAJHFGN-OAHLLOKOSA-N 0 3 318.808 2.301 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001034466957 689861318 /nfs/dbraw/zinc/86/13/18/689861318.db2.gz FLYIVGBPHLSGPI-LBPRGKRZSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000876573497 689862311 /nfs/dbraw/zinc/86/23/11/689862311.db2.gz SKZPSUYKFOEGOS-ZDUSSCGKSA-N 0 3 307.781 2.444 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000876581564 689864873 /nfs/dbraw/zinc/86/48/73/689864873.db2.gz MUKHWGCWLRTVPJ-HZMBPMFUSA-N 0 3 309.797 2.292 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOc1ccccc1OC ZINC000876601834 689872091 /nfs/dbraw/zinc/87/20/91/689872091.db2.gz CDDOTMWDEICSCA-LBPRGKRZSA-N 0 3 312.797 2.002 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000876658553 689892594 /nfs/dbraw/zinc/89/25/94/689892594.db2.gz YYTFBMBEDFLYRF-ZBFHGGJFSA-N 0 3 308.809 2.231 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000876682071 689900370 /nfs/dbraw/zinc/90/03/70/689900370.db2.gz DNHFHIUTMSKPOF-RYUDHWBXSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC000876682919 689901037 /nfs/dbraw/zinc/90/10/37/689901037.db2.gz NTLLMZHHAFTQGO-SMDDNHRTSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000876719926 689914533 /nfs/dbraw/zinc/91/45/33/689914533.db2.gz AZFREPCNVLOXMS-HNNXBMFYSA-N 0 3 323.824 2.056 20 30 DEEDHN COCCOC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876726391 689917825 /nfs/dbraw/zinc/91/78/25/689917825.db2.gz ZTEDKCZWWSDQGI-UHFFFAOYSA-N 0 3 317.433 2.252 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000876729346 689918283 /nfs/dbraw/zinc/91/82/83/689918283.db2.gz KPYLAXFFSVOXPQ-CHWSQXEVSA-N 0 3 305.809 2.472 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876740809 689923196 /nfs/dbraw/zinc/92/31/96/689923196.db2.gz PFYFQTRCSKMGQL-CQSZACIVSA-N 0 3 307.825 2.155 20 30 DEEDHN CSC(C)(C)CCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000876807473 689943215 /nfs/dbraw/zinc/94/32/15/689943215.db2.gz FATBXTHCMJBUNR-ZDUSSCGKSA-N 0 3 319.478 2.390 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000876955418 689982482 /nfs/dbraw/zinc/98/24/82/689982482.db2.gz XUTDQXOEFKCCDI-KXUCPTDWSA-N 0 3 314.735 2.073 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)C2CC2)cc1F ZINC001034835192 689956917 /nfs/dbraw/zinc/95/69/17/689956917.db2.gz NPQVWLSVKACHEB-OAHLLOKOSA-N 0 3 301.365 2.188 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000876886219 689964193 /nfs/dbraw/zinc/96/41/93/689964193.db2.gz WKRDLHGZGYUGRF-HNNXBMFYSA-N 0 3 307.825 2.333 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000876886320 689964595 /nfs/dbraw/zinc/96/45/95/689964595.db2.gz UHNKSBGRTFSIAF-ZDUSSCGKSA-N 0 3 305.809 2.472 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Cc1ccc(OC)cc1 ZINC000876895723 689966744 /nfs/dbraw/zinc/96/67/44/689966744.db2.gz JWBWCBNXNRTXTA-IAQYHMDHSA-N 0 3 310.825 2.460 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001035011626 690008553 /nfs/dbraw/zinc/00/85/53/690008553.db2.gz HJSFFFLBATYZBN-MRXNPFEDSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccccc2OC)C1 ZINC000877252480 690057280 /nfs/dbraw/zinc/05/72/80/690057280.db2.gz PVQWEDXFCYULRT-ZFWWWQNUSA-N 0 3 324.808 2.065 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(C(F)(F)F)nc1 ZINC000877430480 690110948 /nfs/dbraw/zinc/11/09/48/690110948.db2.gz KDILFTLSKIMIHA-GXSJLCMTSA-N 0 3 314.311 2.299 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(CC)n[nH]1)CC2 ZINC001035655209 690143731 /nfs/dbraw/zinc/14/37/31/690143731.db2.gz GHEHEFNOKFKOPR-UHFFFAOYSA-N 0 3 302.422 2.086 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@](C)(O)C1CC1)CC2 ZINC001035689721 690153082 /nfs/dbraw/zinc/15/30/82/690153082.db2.gz CLGRKEZKPDVCTJ-KRWDZBQOSA-N 0 3 306.450 2.038 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC[C@@H]1CCCCO1)CC2 ZINC001035807567 690181918 /nfs/dbraw/zinc/18/19/18/690181918.db2.gz 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C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001347824342 1151100101 /nfs/dbraw/zinc/10/01/01/1151100101.db2.gz RXTQKQIRKMBBDZ-DJIMGWMZSA-N 0 3 306.450 2.443 20 30 DEEDHN C#CCOCCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC001348361126 1151148782 /nfs/dbraw/zinc/14/87/82/1151148782.db2.gz YWJKGPKWFJWXOP-UHFFFAOYSA-N 0 3 314.385 2.216 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCN(CC)C(=O)[C@H]1CCCN1C ZINC001352182325 1151699863 /nfs/dbraw/zinc/69/98/63/1151699863.db2.gz PVMIOGXGMWLAHD-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCN1C[C@@H](NC(=O)c2ccc(C=NOC)cc2)C(C)(C)C1 ZINC001472057246 1151859422 /nfs/dbraw/zinc/85/94/22/1151859422.db2.gz PCWIESCHNCWHBB-OAHLLOKOSA-N 0 3 303.406 2.127 20 30 DEEDHN C[C@@]1(NC(=O)[C@@H](N)CCCCC#N)CCOc2ccccc21 ZINC001355282057 1151999664 /nfs/dbraw/zinc/99/96/64/1151999664.db2.gz ZZZDWNSYXRCGFP-WMLDXEAASA-N 0 3 301.390 2.212 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C2(C)CCCC2)CC1 ZINC001402799709 1162475792 /nfs/dbraw/zinc/47/57/92/1162475792.db2.gz WJXMEOMXKLJCKW-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccc(F)cc1F)C1CC1 ZINC001379846241 1152703387 /nfs/dbraw/zinc/70/33/87/1152703387.db2.gz DCWCGWGGVYMMBW-BMIGLBTASA-N 0 3 307.344 2.109 20 30 DEEDHN CN(CC(=O)N1CC(Oc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001362623191 1153013317 /nfs/dbraw/zinc/01/33/17/1153013317.db2.gz WOEXAQLPLVTIGB-UHFFFAOYSA-N 0 3 315.417 2.126 20 30 DEEDHN CC(C)OCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001381373672 1153030202 /nfs/dbraw/zinc/03/02/02/1153030202.db2.gz SQZUUBIVYSFVGH-STQMWFEESA-N 0 3 321.396 2.105 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC001362845956 1153113143 /nfs/dbraw/zinc/11/31/43/1153113143.db2.gz MZIHIPSKOORQKI-GFCCVEGCSA-N 0 3 306.797 2.209 20 30 DEEDHN C[C@H](CNC(=O)c1ccns1)N(C)Cc1cccc(C#N)c1 ZINC001381536782 1153114530 /nfs/dbraw/zinc/11/45/30/1153114530.db2.gz XCJJHNKNVTZJHL-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001381946002 1153284052 /nfs/dbraw/zinc/28/40/52/1153284052.db2.gz DFQJQYURJJWXCR-HJQYOEGKSA-N 0 3 301.228 2.035 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CC(CNCc2c(F)cccc2F)C1 ZINC001402925209 1162543916 /nfs/dbraw/zinc/54/39/16/1162543916.db2.gz ZCBVNWCCKXNHKT-VOMCLLRMSA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccnn2CC(C)C)C1 ZINC001402926334 1162545609 /nfs/dbraw/zinc/54/56/09/1162545609.db2.gz QPSSSHOPSQZRNQ-UHFFFAOYSA-N 0 3 324.856 2.390 20 30 DEEDHN CCCC(=O)NC[C@@H](NCc1cc(C#N)ccc1OC)C1CC1 ZINC001389564434 1155369381 /nfs/dbraw/zinc/36/93/81/1155369381.db2.gz SCZVZUJPDJIYBI-MRXNPFEDSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)SC)C1 ZINC001389944747 1155478289 /nfs/dbraw/zinc/47/82/89/1155478289.db2.gz IMWRBCHQTBREMG-GARJFASQSA-N 0 3 321.284 2.273 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001389965330 1155484634 /nfs/dbraw/zinc/48/46/34/1155484634.db2.gz NXVWRVMZDQJAAJ-LEWSCRJBSA-N 0 3 321.808 2.245 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@H]2CC[C@H](C)O2)C1 ZINC001390041344 1155507613 /nfs/dbraw/zinc/50/76/13/1155507613.db2.gz VRHXTJXTWOSERD-IGQOVBAYSA-N 0 3 300.830 2.323 20 30 DEEDHN C[C@H](CNC(=O)c1ccoc1)NCc1ccc(F)c(C#N)c1 ZINC001390305752 1155637151 /nfs/dbraw/zinc/63/71/51/1155637151.db2.gz DGVCJPJBFQVPKH-LLVKDONJSA-N 0 3 301.321 2.198 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)CCc2cnc[nH]2)C1 ZINC001370984611 1155661762 /nfs/dbraw/zinc/66/17/62/1155661762.db2.gz UXCPHRYAXCMVDL-ZIAGYGMSSA-N 0 3 324.856 2.312 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001371136480 1155729310 /nfs/dbraw/zinc/72/93/10/1155729310.db2.gz BRZWBHDRMAVNLK-NEPJUHHUSA-N 0 3 323.437 2.291 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(F)c(C#N)c1 ZINC001390478868 1155751488 /nfs/dbraw/zinc/75/14/88/1155751488.db2.gz FSKPXDCIRRLCCN-FZMZJTMJSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NCc1ccc(C#N)c(F)c1 ZINC001371382395 1155839622 /nfs/dbraw/zinc/83/96/22/1155839622.db2.gz ZVJDFCYCXLDRMV-KNXALSJPSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C1=CCCC1 ZINC001371748753 1155999672 /nfs/dbraw/zinc/99/96/72/1155999672.db2.gz UDWATQSVESWIDX-NSHDSACASA-N 0 3 301.228 2.490 20 30 DEEDHN CCn1cccc1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001403138723 1162779600 /nfs/dbraw/zinc/77/96/00/1162779600.db2.gz MGZKDUYIAFPHDY-LBPRGKRZSA-N 0 3 316.430 2.349 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372652930 1156641751 /nfs/dbraw/zinc/64/17/51/1156641751.db2.gz HZIWUUAAUMXIAC-DLBZAZTESA-N 0 3 317.408 2.490 20 30 DEEDHN CC[C@H](CNC(=O)c1ccsn1)NCc1ccc(C#N)s1 ZINC001391701964 1156710812 /nfs/dbraw/zinc/71/08/12/1156710812.db2.gz ZIRSIVGCTQAAED-SNVBAGLBSA-N 0 3 320.443 2.374 20 30 DEEDHN CCc1noc(C)c1CNCC1(NC(=O)[C@H](C)C#N)CCCC1 ZINC001391762773 1156787218 /nfs/dbraw/zinc/78/72/18/1156787218.db2.gz NQDHSYDTEPUWNE-GFCCVEGCSA-N 0 3 318.421 2.224 20 30 DEEDHN N#Cc1cc(C(=O)NC2(CNCc3ccccn3)CCCC2)c[nH]1 ZINC001391761733 1156787305 /nfs/dbraw/zinc/78/73/05/1156787305.db2.gz ONHOTLZALVLPBV-UHFFFAOYSA-N 0 3 323.400 2.114 20 30 DEEDHN C=C(Cl)CN(CCNC(=O)[C@H]1CCCCN1CC)C1CC1 ZINC001372901785 1156818420 /nfs/dbraw/zinc/81/84/20/1156818420.db2.gz LCZONFHCHRMKAT-OAHLLOKOSA-N 0 3 313.873 2.194 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccn(C(F)F)n1)C(C)C ZINC001392216118 1156894392 /nfs/dbraw/zinc/89/43/92/1156894392.db2.gz HMOADICRQDJMMX-LLVKDONJSA-N 0 3 320.771 2.375 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CN(C)CC(C)(C)C ZINC001373574620 1157104798 /nfs/dbraw/zinc/10/47/98/1157104798.db2.gz IOLWRHOQLHBICH-KBPBESRZSA-N 0 3 313.873 2.002 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001392549625 1157120175 /nfs/dbraw/zinc/12/01/75/1157120175.db2.gz CDILYNFJPKSZRQ-STQMWFEESA-N 0 3 315.417 2.207 20 30 DEEDHN CC[C@@H](CNC(=O)C(C)(C)F)NCc1cc(C#N)ccc1OC ZINC001373723843 1157313887 /nfs/dbraw/zinc/31/38/87/1157313887.db2.gz VAYWZDCBALNVHN-AWEZNQCLSA-N 0 3 321.396 2.299 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2c[nH]c(C)cc2=O)CCCC1 ZINC001373859270 1157413859 /nfs/dbraw/zinc/41/38/59/1157413859.db2.gz UAFRAWVUZHUNAI-UHFFFAOYSA-N 0 3 323.824 2.068 20 30 DEEDHN CSC[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001392888898 1157515396 /nfs/dbraw/zinc/51/53/96/1157515396.db2.gz HOAONTNTAHPINF-CYBMUJFWSA-N 0 3 317.458 2.296 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccsn3)CC2)cc1 ZINC001392921585 1157539986 /nfs/dbraw/zinc/53/99/86/1157539986.db2.gz YKUICWSULIYEGO-UHFFFAOYSA-N 0 3 312.398 2.067 20 30 DEEDHN Cc1ncccc1CN1CCC(C)(NC(=O)[C@H](C)C#N)CC1 ZINC001393058779 1157641827 /nfs/dbraw/zinc/64/18/27/1157641827.db2.gz QESRTEWASPZDJW-CYBMUJFWSA-N 0 3 300.406 2.020 20 30 DEEDHN CO[C@@H](C(=O)NCC[C@H](C)NCc1ccccc1C#N)C(C)C ZINC001403435448 1162881327 /nfs/dbraw/zinc/88/13/27/1162881327.db2.gz RXXGSDHVIKJWRJ-WMLDXEAASA-N 0 3 317.433 2.214 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@H]1OCC[C@H]1CC)C(C)C ZINC001374425007 1157851179 /nfs/dbraw/zinc/85/11/79/1157851179.db2.gz WOEWZZHPXVANJQ-RDBSUJKOSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@H](F)C2)CCOCC1 ZINC001393716599 1157922672 /nfs/dbraw/zinc/92/26/72/1157922672.db2.gz RVKMHODISZHBAN-OLZOCXBDSA-N 0 3 318.820 2.132 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H](C)C1CC1 ZINC001374744505 1158001345 /nfs/dbraw/zinc/00/13/45/1158001345.db2.gz LAQZLZMVYPGNNX-VXGBXAGGSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CCC(F)F ZINC001374791624 1158027156 /nfs/dbraw/zinc/02/71/56/1158027156.db2.gz WKTYZEARTGSZCN-SNVBAGLBSA-N 0 3 313.323 2.337 20 30 DEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1CCC1 ZINC001393911302 1158061893 /nfs/dbraw/zinc/06/18/93/1158061893.db2.gz RIDWCAMIBRGXBG-RYUDHWBXSA-N 0 3 303.381 2.480 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C[C@@H]1CCCOC1 ZINC001374977435 1158147233 /nfs/dbraw/zinc/14/72/33/1158147233.db2.gz AHUQUYOJRKYGGW-STQMWFEESA-N 0 3 321.446 2.031 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC2(OC)CCC2)C1 ZINC001394366755 1158434032 /nfs/dbraw/zinc/43/40/32/1158434032.db2.gz CLIVBKNEXRGCQY-JOCQHMNTSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001394370739 1158438763 /nfs/dbraw/zinc/43/87/63/1158438763.db2.gz NKKWIKNUUQEFMT-XDQVBPFNSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001394371129 1158439867 /nfs/dbraw/zinc/43/98/67/1158439867.db2.gz BJDQBXREHMLJKO-YEORSEQZSA-N 0 3 318.808 2.365 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001394382606 1158461371 /nfs/dbraw/zinc/46/13/71/1158461371.db2.gz ODRYLFSJUYWLTL-YDHLFZDLSA-N 0 3 320.820 2.400 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H](CNCc1cc(F)ccc1F)C1CC1 ZINC001394413893 1158499828 /nfs/dbraw/zinc/49/98/28/1158499828.db2.gz HFTMMSWGUJGBTE-BZNIZROVSA-N 0 3 321.371 2.451 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2(NCc3ccsc3)CC2)[nH]1 ZINC001375409403 1158580850 /nfs/dbraw/zinc/58/08/50/1158580850.db2.gz KYPYOWZUALJQPM-UHFFFAOYSA-N 0 3 300.387 2.000 20 30 DEEDHN CC(C)OCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001394680264 1158670551 /nfs/dbraw/zinc/67/05/51/1158670551.db2.gz VXHPDRRYJNRGJA-OLZOCXBDSA-N 0 3 321.446 2.124 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001394800034 1158782722 /nfs/dbraw/zinc/78/27/22/1158782722.db2.gz BYUWZJZIBHFHHA-AWEZNQCLSA-N 0 3 301.862 2.002 20 30 DEEDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)CCCF)cc1C#N ZINC001403575695 1163013830 /nfs/dbraw/zinc/01/38/30/1163013830.db2.gz IFLFPGZBVFEGDT-ZDUSSCGKSA-N 0 3 321.396 2.253 20 30 DEEDHN Cc1nc(CNC[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)cs1 ZINC001376596158 1159586325 /nfs/dbraw/zinc/58/63/25/1159586325.db2.gz XTGCTYUTBYCQFJ-UBHSHLNASA-N 0 3 320.462 2.376 20 30 DEEDHN CC(=O)CCCC(=O)N1CC[C@H](NCc2cccc(C#N)c2)C1 ZINC001376892020 1159835238 /nfs/dbraw/zinc/83/52/38/1159835238.db2.gz ZPXQNQVWRCHDJK-KRWDZBQOSA-N 0 3 313.401 2.008 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1nncc2ccccc21 ZINC001377044481 1159883954 /nfs/dbraw/zinc/88/39/54/1159883954.db2.gz NJFJCGUFNNFJDN-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CN1CCc2ccccc21 ZINC001377111870 1159909085 /nfs/dbraw/zinc/90/90/85/1159909085.db2.gz PIZWOSXDXQIUIR-AWEZNQCLSA-N 0 3 321.852 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2cc(C3CC3)no2)C1 ZINC001397117956 1160000989 /nfs/dbraw/zinc/00/09/89/1160000989.db2.gz FRRDDRCTXDHDJZ-AULYBMBSSA-N 0 3 323.824 2.331 20 30 DEEDHN Cc1nc(C(C)C)oc1CN[C@H]1C[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001397628150 1160371102 /nfs/dbraw/zinc/37/11/02/1160371102.db2.gz QSINWRVJUJXTHK-MRVWCRGKSA-N 0 3 318.421 2.251 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H](C)SC)C1 ZINC001397838404 1160552447 /nfs/dbraw/zinc/55/24/47/1160552447.db2.gz WLOFCXAAFOMWAF-KPPDAEKUSA-N 0 3 321.284 2.131 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001377728787 1160793663 /nfs/dbraw/zinc/79/36/63/1160793663.db2.gz AHRQVPGBZWKQKK-UHFFFAOYSA-N 0 3 309.841 2.492 20 30 DEEDHN CC(=O)CCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001377754392 1160807159 /nfs/dbraw/zinc/80/71/59/1160807159.db2.gz GOBXSBRQEAZADV-CHWSQXEVSA-N 0 3 321.446 2.362 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@H]1CCOC1 ZINC001377937730 1160876589 /nfs/dbraw/zinc/87/65/89/1160876589.db2.gz AAAUEQMZFFCLOT-CYBMUJFWSA-N 0 3 302.846 2.240 20 30 DEEDHN CC(C)C[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001378026257 1160932929 /nfs/dbraw/zinc/93/29/29/1160932929.db2.gz GEFMCINDESDBBI-JQFCIGGWSA-N 0 3 314.433 2.467 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)CCc1ccon1)C1CC1 ZINC001400996486 1161857791 /nfs/dbraw/zinc/85/77/91/1161857791.db2.gz VRGJJHHCZOUBAL-HNNXBMFYSA-N 0 3 311.813 2.234 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1ncccc1F)C(C)C ZINC001401337338 1161937198 /nfs/dbraw/zinc/93/71/98/1161937198.db2.gz PZTAUHFZLOVCCV-CQSZACIVSA-N 0 3 313.804 2.246 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001401617292 1162047310 /nfs/dbraw/zinc/04/73/10/1162047310.db2.gz VHGVNPBPIXFYQS-IAQYHMDHSA-N 0 3 323.437 2.433 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(C2CC2)CC1 ZINC001401626923 1162051330 /nfs/dbraw/zinc/05/13/30/1162051330.db2.gz FGVXZYQIUVSRRB-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1csnn1 ZINC001402019830 1162218404 /nfs/dbraw/zinc/21/84/04/1162218404.db2.gz BBYPIMSLDCQDMK-ZYHUDNBSSA-N 0 3 314.842 2.263 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2ccncc2Cl)CC1 ZINC001405507209 1164125550 /nfs/dbraw/zinc/12/55/50/1164125550.db2.gz QWTWFECAZOSUCK-MRVWCRGKSA-N 0 3 320.824 2.412 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc2cccn2cn1)C(C)C ZINC001406046741 1164407384 /nfs/dbraw/zinc/40/73/84/1164407384.db2.gz UEOWNNSJCIVMKM-HNNXBMFYSA-N 0 3 320.824 2.431 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001406611101 1164728852 /nfs/dbraw/zinc/72/88/52/1164728852.db2.gz LBDGCTGLGLSZJG-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC001406710389 1164805669 /nfs/dbraw/zinc/80/56/69/1164805669.db2.gz VVJHLRYEWSJXFF-LBPRGKRZSA-N 0 3 324.856 2.481 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)CCCC(C)=O)[C@H](C)C1 ZINC001407093224 1164966463 /nfs/dbraw/zinc/96/64/63/1164966463.db2.gz RPWMOHDZAFWHCI-TZMCWYRMSA-N 0 3 300.830 2.467 20 30 DEEDHN CN(CCNC(=O)Nc1ccc(C#N)cn1)Cc1ccccc1 ZINC001414481665 1165847303 /nfs/dbraw/zinc/84/73/03/1165847303.db2.gz MIBOBAROEKLWDP-UHFFFAOYSA-N 0 3 309.373 2.207 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001417759244 1167192598 /nfs/dbraw/zinc/19/25/98/1167192598.db2.gz XFVNBDMPFSSERL-BNOWGMLFSA-N 0 3 300.830 2.038 20 30 DEEDHN CO[C@@H](C)CC(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001417966194 1167333811 /nfs/dbraw/zinc/33/38/11/1167333811.db2.gz BCIDLRACRYQAIC-XHDPSFHLSA-N 0 3 321.446 2.029 20 30 DEEDHN COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)c1Cl ZINC001418088762 1167404844 /nfs/dbraw/zinc/40/48/44/1167404844.db2.gz NNHIEWFMEWADDJ-RTXFEEFZSA-N 0 3 321.808 2.245 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001418095887 1167407381 /nfs/dbraw/zinc/40/73/81/1167407381.db2.gz VVQUJQGATKEGNQ-QLFBSQMISA-N 0 3 324.856 2.460 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2onc(C)c2c1 ZINC001418413825 1167637149 /nfs/dbraw/zinc/63/71/49/1167637149.db2.gz QVJDITFTMZEILQ-SNVBAGLBSA-N 0 3 322.796 2.382 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001419278705 1168369545 /nfs/dbraw/zinc/36/95/45/1168369545.db2.gz NXXFKFQFIGFSHX-KBPBESRZSA-N 0 3 309.410 2.352 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)C1CC(C)C1 ZINC001420281042 1169313971 /nfs/dbraw/zinc/31/39/71/1169313971.db2.gz IKFSXOAJNLNHQR-JVWICGRDSA-N 0 3 315.417 2.207 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001421566879 1171850654 /nfs/dbraw/zinc/85/06/54/1171850654.db2.gz CKWRKFNQUKZSGU-XJKSGUPXSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnn3cc[nH]c23)CCCC1 ZINC001421850275 1172044941 /nfs/dbraw/zinc/04/49/41/1172044941.db2.gz UIRFRYDFYIOJPS-UHFFFAOYSA-N 0 3 321.812 2.047 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1CCC1CC1 ZINC001421954617 1172177729 /nfs/dbraw/zinc/17/77/29/1172177729.db2.gz QQHREVGRWXZURL-KDOFPFPSSA-N 0 3 311.429 2.489 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@@H]1CC12CC2)C(C)C ZINC001422132748 1172331205 /nfs/dbraw/zinc/33/12/05/1172331205.db2.gz UNCFWYTZWRTFJS-NWDGAFQWSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001422253428 1172441682 /nfs/dbraw/zinc/44/16/82/1172441682.db2.gz AWLYKXTZGWZGFK-RTBKNWGFSA-N 0 3 323.181 2.035 20 30 DEEDHN CN(CC(C)(C)CNCc1ccccc1C#N)C(=O)C(F)F ZINC001422437803 1172591211 /nfs/dbraw/zinc/59/12/11/1172591211.db2.gz UXDPJAIHYKSVBZ-UHFFFAOYSA-N 0 3 309.360 2.398 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001422478072 1172627807 /nfs/dbraw/zinc/62/78/07/1172627807.db2.gz IUBJNPXPDZUMCE-LCSDZXHASA-N 0 3 315.392 2.338 20 30 DEEDHN CS[C@@H](C)C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC001424695847 1173873471 /nfs/dbraw/zinc/87/34/71/1173873471.db2.gz NPHISEBIEOYQOF-FUJMWEONSA-N 0 3 317.458 2.294 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001424746621 1173896125 /nfs/dbraw/zinc/89/61/25/1173896125.db2.gz WJMRLMGZOITVDI-IYXRBSQSSA-N 0 3 310.829 2.071 20 30 DEEDHN Cc1cccc(CN(C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)c1 ZINC001424928004 1174036810 /nfs/dbraw/zinc/03/68/10/1174036810.db2.gz GTVJIASLPWIVJG-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001425563888 1174374627 /nfs/dbraw/zinc/37/46/27/1174374627.db2.gz KGDLQKZFJYHLIJ-SWLSCSKDSA-N 0 3 321.446 2.125 20 30 DEEDHN CCCN(CCNC(=O)[C@H](C)OC)Cc1ccc(F)c(C#N)c1 ZINC001437734659 1179921637 /nfs/dbraw/zinc/92/16/37/1179921637.db2.gz FPPDSBHLSAMXMP-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN CN(C/C=C/Cl)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001437971121 1180116723 /nfs/dbraw/zinc/11/67/23/1180116723.db2.gz BAFNXGZQYKOQLB-RDNKVPPGSA-N 0 3 306.797 2.033 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C#N)c[nH]2)CCCC1 ZINC001438386849 1180386144 /nfs/dbraw/zinc/38/61/44/1180386144.db2.gz HODHHKSCDVYXLA-UHFFFAOYSA-N 0 3 306.797 2.271 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cnc1C ZINC001438772288 1180809424 /nfs/dbraw/zinc/80/94/24/1180809424.db2.gz LOVGQOBSTLRXEV-XHDPSFHLSA-N 0 3 324.856 2.230 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1cncs1 ZINC001439191897 1180927702 /nfs/dbraw/zinc/92/77/02/1180927702.db2.gz GGNHJANWVBTPER-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)Cc1ccoc1 ZINC001439208512 1180939276 /nfs/dbraw/zinc/93/92/76/1180939276.db2.gz UHOLDMAVTBCDMW-NSHDSACASA-N 0 3 303.387 2.050 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1(N[C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001439594360 1181160744 /nfs/dbraw/zinc/16/07/44/1181160744.db2.gz BMSKWFBELQQQHI-BONVTDFDSA-N 0 3 319.355 2.350 20 30 DEEDHN C=C(Br)CNCC(C)(C)CN(C)C(=O)COCC ZINC001440866579 1181737275 /nfs/dbraw/zinc/73/72/75/1181737275.db2.gz OYBSSGIRECFWNK-UHFFFAOYSA-N 0 3 321.259 2.006 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(CCCC(C)(C)C)CCO2 ZINC001441219010 1181898865 /nfs/dbraw/zinc/89/88/65/1181898865.db2.gz GRUXFEOQTSYTTC-YJBOKZPZSA-N 0 3 321.465 2.276 20 30 DEEDHN CO[C@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001441514506 1182035232 /nfs/dbraw/zinc/03/52/32/1182035232.db2.gz PBKAWWKFOXSYFC-CHWSQXEVSA-N 0 3 321.396 2.059 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c3nc[nH]c3ccc2F)CC1 ZINC001443531312 1183018168 /nfs/dbraw/zinc/01/81/68/1183018168.db2.gz MLWKWMWSDMWIAL-UHFFFAOYSA-N 0 3 302.353 2.082 20 30 DEEDHN CC[C@H](CNC(=O)COC(C)(C)C)NCc1ccc(C#N)s1 ZINC001443922023 1183203520 /nfs/dbraw/zinc/20/35/20/1183203520.db2.gz FVWXBMXCTWVFCY-GFCCVEGCSA-N 0 3 323.462 2.419 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCc2c[nH]cn2)CCCC1 ZINC001444072704 1183278902 /nfs/dbraw/zinc/27/89/02/1183278902.db2.gz PWAYBROVPMOFJX-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN CC[C@@H](F)CN1CCC(CCNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001444210628 1183317262 /nfs/dbraw/zinc/31/72/62/1183317262.db2.gz RTPWBXTZANVDFS-OAHLLOKOSA-N 0 3 320.412 2.466 20 30 DEEDHN C[C@@H](CNC/C(Cl)=C/Cl)CNC(=O)c1c[nH]c(C#N)c1 ZINC001444292378 1183333902 /nfs/dbraw/zinc/33/39/02/1183333902.db2.gz HMFKIMXOQFLYCU-XXVIQQQLSA-N 0 3 315.204 2.161 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnn(C)c1Cl)C(C)C ZINC001444881271 1183617097 /nfs/dbraw/zinc/61/70/97/1183617097.db2.gz BWCRGDGVUDLINU-LLVKDONJSA-N 0 3 319.236 2.170 20 30 DEEDHN COCCC(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001446453538 1184355929 /nfs/dbraw/zinc/35/59/29/1184355929.db2.gz RSTMTBYZHQDLAL-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN C[C@@H](NCc1ccccc1F)[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001447859139 1184898917 /nfs/dbraw/zinc/89/89/17/1184898917.db2.gz VJKJEHPDSAAQAC-VXGBXAGGSA-N 0 3 314.364 2.322 20 30 DEEDHN CN(C/C=C/Cl)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001448527671 1185275924 /nfs/dbraw/zinc/27/59/24/1185275924.db2.gz HNYOFBMYHQYUHI-GORDUTHDSA-N 0 3 306.797 2.175 20 30 DEEDHN C=C[C@@H](C(=O)NC[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001347650377 1151086877 /nfs/dbraw/zinc/08/68/77/1151086877.db2.gz POZSQOXAQULBLR-SJLPKXTDSA-N 0 3 315.461 2.098 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2(C(F)(F)F)CC2)C1 ZINC001331997773 1149805260 /nfs/dbraw/zinc/80/52/60/1149805260.db2.gz RAXVLPRUDFEANM-VXGBXAGGSA-N 0 3 302.340 2.321 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)ccc2C)C1 ZINC001332048914 1149813232 /nfs/dbraw/zinc/81/32/32/1149813232.db2.gz NVNYLEGUUMMEIN-SJORKVTESA-N 0 3 314.429 2.146 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1Cc2ccccc2N2CCC[C@H]2C1 ZINC001332086048 1149817632 /nfs/dbraw/zinc/81/76/32/1149817632.db2.gz WYEJHUCGYYAORO-JKSUJKDBSA-N 0 3 312.417 2.019 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)Oc3cccnc3)CCC[C@H]12 ZINC001332109684 1149820371 /nfs/dbraw/zinc/82/03/71/1149820371.db2.gz GQUYXNJSQDJQBY-QILLFSRXSA-N 0 3 315.417 2.148 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)Oc3cccnc3)CCC[C@@H]12 ZINC001332109686 1149820627 /nfs/dbraw/zinc/82/06/27/1149820627.db2.gz GQUYXNJSQDJQBY-YXJHDRRASA-N 0 3 315.417 2.148 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)on2)CC(C)(C)C1 ZINC001089304376 782438845 /nfs/dbraw/zinc/43/88/45/782438845.db2.gz ZZPVTZHMCVCDCO-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001099199696 782521207 /nfs/dbraw/zinc/52/12/07/782521207.db2.gz OYBWIHITLRHKMC-PBHICJAKSA-N 0 3 312.429 2.298 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](NC/C=C\Cl)C(C)(C)C2)cn1 ZINC001332437255 1149859957 /nfs/dbraw/zinc/85/99/57/1149859957.db2.gz LUCDJBYDRIXEHS-GTBONMDNSA-N 0 3 317.820 2.256 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c2ccc(C)cc12 ZINC001332677780 1149879367 /nfs/dbraw/zinc/87/93/67/1149879367.db2.gz USAIGMBWHZIDRV-CQSZACIVSA-N 0 3 315.417 2.027 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1cc2cccn2cn1)C(C)C ZINC001332710914 1149883217 /nfs/dbraw/zinc/88/32/17/1149883217.db2.gz MWEUZEQPEWWYHH-UHFFFAOYSA-N 0 3 300.406 2.303 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1nn(C)c2c1CCCC2)C(C)C ZINC001332733245 1149885662 /nfs/dbraw/zinc/88/56/62/1149885662.db2.gz YRQLZJLQRRWSPC-UHFFFAOYSA-N 0 3 318.465 2.267 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](OC)C2CCC2)CC1 ZINC001332949743 1149934161 /nfs/dbraw/zinc/93/41/61/1149934161.db2.gz LEALUURCFRXNCZ-PBHICJAKSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H](CNCc2ocnc2C)[C@H](C)C1 ZINC001106559126 782784017 /nfs/dbraw/zinc/78/40/17/782784017.db2.gz FOMZTYPFSJNJFG-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN CC[C@@H](C(=O)N(CC)CCNc1cccc(F)c1C#N)N(C)C ZINC001106804785 782951427 /nfs/dbraw/zinc/95/14/27/782951427.db2.gz FQAFFEUMLRKAOG-INIZCTEOSA-N 0 3 320.412 2.298 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001333432213 1150049928 /nfs/dbraw/zinc/04/99/28/1150049928.db2.gz MBRCQPLBCPVEHS-IAGOWNOFSA-N 0 3 306.450 2.229 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ncc(F)cc2F)CC(C)(C)C1 ZINC001089421297 783088629 /nfs/dbraw/zinc/08/86/29/783088629.db2.gz SMUTXVQRWDKNFR-ZDUSSCGKSA-N 0 3 321.371 2.213 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1O[C@@H](C)C3)C2 ZINC001095778205 783093118 /nfs/dbraw/zinc/09/31/18/783093118.db2.gz OJNOEMIURYGIFC-DHXZDTOLSA-N 0 3 324.424 2.368 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C[C@@H]1C ZINC000947357016 783116119 /nfs/dbraw/zinc/11/61/19/783116119.db2.gz QVBSGBFUACCYKY-GJZGRUSLSA-N 0 3 304.438 2.308 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncnc3ccsc32)C[C@H]1C ZINC000947380168 783121503 /nfs/dbraw/zinc/12/15/03/783121503.db2.gz YNMITMQEISGXJI-VXGBXAGGSA-N 0 3 316.430 2.460 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001077551246 783121633 /nfs/dbraw/zinc/12/16/33/783121633.db2.gz UOZSBKVYBKPXPT-IAGOWNOFSA-N 0 3 319.449 2.119 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000947436446 783135046 /nfs/dbraw/zinc/13/50/46/783135046.db2.gz IYTPYTZNKKTZOC-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2csc(C)n2)CC(C)(C)C1 ZINC001089470785 783138562 /nfs/dbraw/zinc/13/85/62/783138562.db2.gz PJFBMVXGEVQTFG-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)C[C@H]1C ZINC000947468728 783145304 /nfs/dbraw/zinc/14/53/04/783145304.db2.gz OQSHJHMRXQAOLB-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3cnccc3c2)C[C@H]1C ZINC000947536753 783163570 /nfs/dbraw/zinc/16/35/70/783163570.db2.gz IOOCVSZSUGGFEC-DNVCBOLYSA-N 0 3 321.424 2.380 20 30 DEEDHN CO[C@@H]1CN(CCC2CCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241245 783168640 /nfs/dbraw/zinc/16/86/40/783168640.db2.gz OBCCSBXNPBOZFY-IAGOWNOFSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)CC(C)(C)C1 ZINC001089510567 783174440 /nfs/dbraw/zinc/17/44/40/783174440.db2.gz XKWXYCUPHUJINK-CQSZACIVSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000947666967 783202177 /nfs/dbraw/zinc/20/21/77/783202177.db2.gz NVUJEMHYAVTGPN-SWLSCSKDSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2conc2C2CC2)C[C@H]1C ZINC000947716367 783211290 /nfs/dbraw/zinc/21/12/90/783211290.db2.gz VJIKYEJQIGVHMH-TZMCWYRMSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](CC)CCCC ZINC001123962080 783226032 /nfs/dbraw/zinc/22/60/32/783226032.db2.gz BVKUCHOPDUDQSL-MRXNPFEDSA-N 0 3 323.481 2.109 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)ncc2Cl)C[C@@H]1C ZINC000947779420 783230462 /nfs/dbraw/zinc/23/04/62/783230462.db2.gz PFKZQTFEFMCCRQ-JQWIXIFHSA-N 0 3 308.813 2.207 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cccc4cc[nH]c43)C2)C1 ZINC001072999631 790367134 /nfs/dbraw/zinc/36/71/34/790367134.db2.gz JAJAZKNVRVEPSQ-UHFFFAOYSA-N 0 3 307.397 2.339 20 30 DEEDHN C=Cc1ccc(C(=O)N[C@@H]2CCN(CC(=C)C)C[C@@H]2O)cc1 ZINC001090587080 790372714 /nfs/dbraw/zinc/37/27/14/790372714.db2.gz UXHBQVRBAYWPQT-SJORKVTESA-N 0 3 300.402 2.071 20 30 DEEDHN C=Cc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)C[C@@H]2O)cc1 ZINC001090587079 790372899 /nfs/dbraw/zinc/37/28/99/790372899.db2.gz UXHBQVRBAYWPQT-IRXDYDNUSA-N 0 3 300.402 2.071 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)[C@@H](O)C1 ZINC001090634869 790410218 /nfs/dbraw/zinc/41/02/18/790410218.db2.gz YIGAHNLWGOBVOH-IRXDYDNUSA-N 0 3 320.477 2.168 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3C[C@@H]3C3CCCC3)C2)C1 ZINC001073089109 790444638 /nfs/dbraw/zinc/44/46/38/790444638.db2.gz GHTKTMQBOGACSC-SJORKVTESA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3C3CCCC3)C2)C1 ZINC001073089106 790445747 /nfs/dbraw/zinc/44/57/47/790445747.db2.gz GHTKTMQBOGACSC-DLBZAZTESA-N 0 3 300.446 2.370 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001209168615 776674652 /nfs/dbraw/zinc/67/46/52/776674652.db2.gz GJOMGPAWGCYZBF-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCC4(CCC4)CO3)C2)C1 ZINC001073141721 790483453 /nfs/dbraw/zinc/48/34/53/790483453.db2.gz SPGWEPIIUIGNNN-INIZCTEOSA-N 0 3 318.461 2.446 20 30 DEEDHN CC(F)(F)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207040722 776927911 /nfs/dbraw/zinc/92/79/11/776927911.db2.gz DQEYPQKMHLOYCN-HNNXBMFYSA-N 0 3 306.356 2.274 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001067569902 777010996 /nfs/dbraw/zinc/01/09/96/777010996.db2.gz BWRHCEQVHRHJEJ-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN Cc1noc(C)c1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)C#N ZINC001087135652 777027697 /nfs/dbraw/zinc/02/76/97/777027697.db2.gz SJTCHDDBROHSLA-JMSVASOKSA-N 0 3 318.421 2.168 20 30 DEEDHN Cc1ncsc1C=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000588522858 777347158 /nfs/dbraw/zinc/34/71/58/777347158.db2.gz XIADBLYCVQGXBU-ISALQUGTSA-N 0 3 312.354 2.207 20 30 DEEDHN CC#CCCCC(=O)NCC1CC(N[C@H](C)c2cnccn2)C1 ZINC001100591081 777369200 /nfs/dbraw/zinc/36/92/00/777369200.db2.gz MIQIWHPECJETST-QQFBHYJXSA-N 0 3 314.433 2.216 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)COCCCC)C[C@H]1c1ccccc1 ZINC001211563499 777419710 /nfs/dbraw/zinc/41/97/10/777419710.db2.gz WJPGQRYKAOCGMJ-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H](O)C1 ZINC001090790232 790541045 /nfs/dbraw/zinc/54/10/45/790541045.db2.gz LRVCWNNSCOQKLM-DLBZAZTESA-N 0 3 316.445 2.353 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)[C@H](O)C1 ZINC001090791994 790541573 /nfs/dbraw/zinc/54/15/73/790541573.db2.gz YJHQZCUNRSQBKG-LSDHHAIUSA-N 0 3 322.474 2.360 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC1CC(NCc2snnc2C)C1 ZINC001100644746 777567283 /nfs/dbraw/zinc/56/72/83/777567283.db2.gz GBWDAKFLQZWCIF-SEEARECTSA-N 0 3 322.478 2.433 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C=C1CCC1)C[C@H](C)O2 ZINC001098583076 777635782 /nfs/dbraw/zinc/63/57/82/777635782.db2.gz JFRFEQWZYKDYAW-HNNXBMFYSA-N 0 3 304.434 2.365 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccncc3F)C(C)(C)[C@H]21 ZINC001087278460 777701918 /nfs/dbraw/zinc/70/19/18/777701918.db2.gz IDLUUGKKKOQNPI-BMFZPTHFSA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cncc(C)c3)C(C)(C)[C@H]21 ZINC001087278667 777702595 /nfs/dbraw/zinc/70/25/95/777702595.db2.gz LCBZGLCSARVEMH-ZACQAIPSSA-N 0 3 311.429 2.242 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cocc3C)C(C)(C)[C@@H]21 ZINC001087299013 777747641 /nfs/dbraw/zinc/74/76/41/777747641.db2.gz OROQWMZSQLAUFS-FVQBIDKESA-N 0 3 300.402 2.440 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001090835759 790584105 /nfs/dbraw/zinc/58/41/05/790584105.db2.gz IVPFODWDSLVYNZ-MSOLQXFVSA-N 0 3 314.429 2.305 20 30 DEEDHN O=C1C=C2CN(Cc3nc(C(F)(F)F)c[nH]3)CCC2S1 ZINC001137011826 790597433 /nfs/dbraw/zinc/59/74/33/790597433.db2.gz IPOKIEZUUXVMMQ-MRVPVSSYSA-N 0 3 303.309 2.203 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)[C@@H](O)C1 ZINC001090856084 790605113 /nfs/dbraw/zinc/60/51/13/790605113.db2.gz WEJGMEOIRUKJHE-IRXDYDNUSA-N 0 3 320.477 2.168 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105318463 778444170 /nfs/dbraw/zinc/44/41/70/778444170.db2.gz AGIDGHSDVRTENC-QGZVFWFLSA-N 0 3 319.453 2.009 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001207516417 778465868 /nfs/dbraw/zinc/46/58/68/778465868.db2.gz QKDILEJBWRBPIZ-HZSPNIEDSA-N 0 3 318.408 2.307 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cc(CC)on2)CC1 ZINC001167779245 778512833 /nfs/dbraw/zinc/51/28/33/778512833.db2.gz DYJDGBZJZKTIPH-UHFFFAOYSA-N 0 3 311.813 2.479 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)Oc3cccc(C)c3)C2)C1 ZINC001073410929 790643881 /nfs/dbraw/zinc/64/38/81/790643881.db2.gz YBJMKVBSVUOSFI-INIZCTEOSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CCc3ccccc3OC)C2)C1 ZINC001073410719 790643977 /nfs/dbraw/zinc/64/39/77/790643977.db2.gz NQNMLJZDQQDJKQ-UHFFFAOYSA-N 0 3 314.429 2.348 20 30 DEEDHN COc1cccc(C(=O)N2CCC(N[C@@H](C)CC#N)CC2)c1 ZINC001167859720 778727892 /nfs/dbraw/zinc/72/78/92/778727892.db2.gz DICBLCMJZNQHON-ZDUSSCGKSA-N 0 3 301.390 2.192 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1c1ccccc1 ZINC001211702807 778728085 /nfs/dbraw/zinc/72/80/85/778728085.db2.gz FEGONPXFONLBBI-DLBZAZTESA-N 0 3 323.396 2.204 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCc3ccccc3F)C2)C1 ZINC001073421691 790646969 /nfs/dbraw/zinc/64/69/69/790646969.db2.gz FCTKVXVOZBXXLF-UHFFFAOYSA-N 0 3 314.404 2.316 20 30 DEEDHN CCc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1 ZINC001075620987 778765498 /nfs/dbraw/zinc/76/54/98/778765498.db2.gz KTPIFZYGTSJVHM-JCGIZDLHSA-N 0 3 311.429 2.441 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2scnc2C)CC1 ZINC000983482267 779101583 /nfs/dbraw/zinc/10/15/83/779101583.db2.gz HNFCFCWQOQPSKA-UHFFFAOYSA-N 0 3 307.463 2.495 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnn2CC2CCC2)[C@H]1CC ZINC001087573052 779356733 /nfs/dbraw/zinc/35/67/33/779356733.db2.gz RAYKWGWFKZMBEG-JKSUJKDBSA-N 0 3 316.449 2.452 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)[C@H]1CC ZINC001087673752 779403859 /nfs/dbraw/zinc/40/38/59/779403859.db2.gz ZMXKGRJHSRKEBK-DLBZAZTESA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(CCC(C)C)nn2)[C@H]1CC ZINC001087722605 779423751 /nfs/dbraw/zinc/42/37/51/779423751.db2.gz LCPOGHBMYOCLDD-GOEBONIOSA-N 0 3 319.453 2.093 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CCC)c2)[C@H]1CC ZINC001087745799 779434485 /nfs/dbraw/zinc/43/44/85/779434485.db2.gz QBRFBNKRTZSPNM-JKSUJKDBSA-N 0 3 304.438 2.452 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2csc3cncn32)[C@H]1CC ZINC001087747040 779434800 /nfs/dbraw/zinc/43/48/00/779434800.db2.gz FCSWWTKVBSEZGU-NWDGAFQWSA-N 0 3 304.419 2.165 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn3c2CCCC3)[C@H]1CC ZINC001087785485 779452253 /nfs/dbraw/zinc/45/22/53/779452253.db2.gz IYWFUZUAZFMPPI-JKSUJKDBSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncccc2Cl)[C@H]1CC ZINC001087804018 779458015 /nfs/dbraw/zinc/45/80/15/779458015.db2.gz CLAGIVWXRBRNAD-UONOGXRCSA-N 0 3 305.809 2.341 20 30 DEEDHN O=C(CCS)NCCN1CCC(Cc2ccccc2)CC1 ZINC001143986163 790706218 /nfs/dbraw/zinc/70/62/18/790706218.db2.gz VEXJOFWSTSLHCG-UHFFFAOYSA-N 0 3 306.475 2.377 20 30 DEEDHN C=C(Cl)CNC[C@@]1(c2ccccc2)C[C@H](NC(=O)COC)C1 ZINC001105397988 779478937 /nfs/dbraw/zinc/47/89/37/779478937.db2.gz DNYNKPLKLYAWOQ-WOVMCDHWSA-N 0 3 322.836 2.192 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccsc3C)C[C@@H]2C1 ZINC001087960799 779573531 /nfs/dbraw/zinc/57/35/31/779573531.db2.gz NEJWEPGSPCIAQK-CABCVRRESA-N 0 3 302.443 2.474 20 30 DEEDHN C=CC[C@H](C)C(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001144012950 790720883 /nfs/dbraw/zinc/72/08/83/790720883.db2.gz JCIIFGYASRFBLY-ZDUSSCGKSA-N 0 3 304.438 2.347 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CCC3)C[C@@H]2C1 ZINC001088015201 779636974 /nfs/dbraw/zinc/63/69/74/779636974.db2.gz AIYZZYFTNGBSEU-OLZOCXBDSA-N 0 3 314.351 2.133 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccnc4ccccc43)C[C@@H]2C1 ZINC001088031806 779647069 /nfs/dbraw/zinc/64/70/69/779647069.db2.gz MVFJMKLDKXTESK-CVEARBPZSA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccco3)C[C@@H]2C1 ZINC001088104101 779704180 /nfs/dbraw/zinc/70/41/80/779704180.db2.gz UFCYVLOGUDEQHW-XHSDSOJGSA-N 0 3 300.402 2.187 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cccc4c3OCC4)C[C@@H]2C1 ZINC001088116758 779711023 /nfs/dbraw/zinc/71/10/23/779711023.db2.gz PGNILQQWTWQZJR-SJORKVTESA-N 0 3 324.424 2.039 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cccs3)C[C@@H]2C1 ZINC001088125990 779715813 /nfs/dbraw/zinc/71/58/13/779715813.db2.gz JLBIMBAALRJDPA-OAGGEKHMSA-N 0 3 316.470 2.340 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccsc3Cl)C[C@@H]2C1 ZINC001088128947 779717175 /nfs/dbraw/zinc/71/71/75/779717175.db2.gz PLWWGQHHCVMZGV-NEPJUHHUSA-N 0 3 308.834 2.429 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccsc3C)C[C@@H]2C1 ZINC001088130791 779719889 /nfs/dbraw/zinc/71/98/89/779719889.db2.gz HFMKLQBTRXQNPU-SJORKVTESA-N 0 3 316.470 2.403 20 30 DEEDHN Cc1ncc(CN[C@@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001088280492 779902404 /nfs/dbraw/zinc/90/24/04/779902404.db2.gz RTWPXFRLPKPSAV-TZMCWYRMSA-N 0 3 320.462 2.472 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001073617609 790745512 /nfs/dbraw/zinc/74/55/12/790745512.db2.gz IQPWEEYIFURHKR-INIZCTEOSA-N 0 3 317.433 2.041 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCc2cncn2C)C1 ZINC001088360434 780026691 /nfs/dbraw/zinc/02/66/91/780026691.db2.gz YZHOIAPAISNPJN-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001088359970 780027847 /nfs/dbraw/zinc/02/78/47/780027847.db2.gz MXSMEOHQETXESV-CQSZACIVSA-N 0 3 319.453 2.186 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cn2ccc(C)n2)C1 ZINC001088384246 780056786 /nfs/dbraw/zinc/05/67/86/780056786.db2.gz AXMJCAQPVOLQRO-OAHLLOKOSA-N 0 3 324.856 2.305 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001088390338 780061511 /nfs/dbraw/zinc/06/15/11/780061511.db2.gz LPLZNUQZJQKXDE-ZDUSSCGKSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001059746194 780309233 /nfs/dbraw/zinc/30/92/33/780309233.db2.gz QRDDKXUEIHACHE-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CCCOC2)CC1 ZINC001168197875 780459324 /nfs/dbraw/zinc/45/93/24/780459324.db2.gz CVGNBZWNCINOSS-AWEZNQCLSA-N 0 3 314.857 2.432 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1OC ZINC001211997022 780577037 /nfs/dbraw/zinc/57/70/37/780577037.db2.gz CLYLPFWCSWSHHY-QZTJIDSGSA-N 0 3 316.445 2.401 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@H]1C ZINC001088606861 780583213 /nfs/dbraw/zinc/58/32/13/780583213.db2.gz RJRLKIMAGLUWHM-PBHICJAKSA-N 0 3 314.404 2.460 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)CCOCC)[C@H](OC)C1 ZINC001212024004 780590517 /nfs/dbraw/zinc/59/05/17/780590517.db2.gz FURMCAXYYWLPEG-HZPDHXFCSA-N 0 3 314.470 2.199 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001212078316 780629815 /nfs/dbraw/zinc/62/98/15/780629815.db2.gz AOOHHRYJGJEPKA-ZIAGYGMSSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)/C(C)=C/C)C2)nn1 ZINC001098648974 780695642 /nfs/dbraw/zinc/69/56/42/780695642.db2.gz IRODMQVBOFBVDH-HQYNXSMWSA-N 0 3 317.437 2.074 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001073736535 790826507 /nfs/dbraw/zinc/82/65/07/790826507.db2.gz VBYMYYGVZWRIMW-MRXNPFEDSA-N 0 3 306.450 2.350 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(OC)cc2F)[C@H]1C ZINC001088712721 780898513 /nfs/dbraw/zinc/89/85/13/780898513.db2.gz BNQBIPZTFCRTMM-WBMJQRKESA-N 0 3 304.365 2.050 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(OC)c2)[C@H]1C ZINC001088723202 780915891 /nfs/dbraw/zinc/91/58/91/780915891.db2.gz ZFWMHJZEJAWBPM-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)[C@H]1C ZINC001088745161 780927492 /nfs/dbraw/zinc/92/74/92/780927492.db2.gz MQCUECLHWDOLAE-XPKDYRNWSA-N 0 3 318.392 2.142 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C)cc43)[C@@H]2C1 ZINC001075985227 780954559 /nfs/dbraw/zinc/95/45/59/780954559.db2.gz AQYMBKMMWPPCQC-XJKSGUPXSA-N 0 3 310.401 2.204 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)[C@H]1C ZINC001088779319 780978554 /nfs/dbraw/zinc/97/85/54/780978554.db2.gz YRNITWVKHDHCNY-CJNGLKHVSA-N 0 3 310.401 2.455 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088791354 780992893 /nfs/dbraw/zinc/99/28/93/780992893.db2.gz DAEGRECZVPXVSX-KGLIPLIRSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cncc(OC(C)C)c2)[C@H]1C ZINC001088794183 780996038 /nfs/dbraw/zinc/99/60/38/780996038.db2.gz PEFDQRJELCGSSP-PBHICJAKSA-N 0 3 315.417 2.085 20 30 DEEDHN CC(C(=O)NCCNCc1ccc(F)c(C#N)c1)=C1CCC1 ZINC001126875832 781013538 /nfs/dbraw/zinc/01/35/38/781013538.db2.gz OUMGHFMDIPGGSO-UHFFFAOYSA-N 0 3 301.365 2.404 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H]2CN(CCCF)CCCO2)CC1 ZINC001073755652 790847547 /nfs/dbraw/zinc/84/75/47/790847547.db2.gz GFPWIJHNCLFVNP-INIZCTEOSA-N 0 3 312.429 2.300 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCOc4ccccc43)[C@@H]2C1 ZINC001076366708 781235436 /nfs/dbraw/zinc/23/54/36/781235436.db2.gz FOOQUQPXALRICP-BHYGNILZSA-N 0 3 312.413 2.271 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3cccc(C)c3)[C@@H]2C1 ZINC001076563721 781310090 /nfs/dbraw/zinc/31/00/90/781310090.db2.gz IZKYHNRXMXSOHZ-FUHWJXTLSA-N 0 3 314.429 2.483 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001091098485 790913683 /nfs/dbraw/zinc/91/36/83/790913683.db2.gz VKQALMNABIJHOT-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001073865317 790923803 /nfs/dbraw/zinc/92/38/03/790923803.db2.gz FVJLNAQVLGHPOG-MRXNPFEDSA-N 0 3 320.820 2.184 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(CCC)nc2C)C[C@@H]1C ZINC000947853965 783247702 /nfs/dbraw/zinc/24/77/02/783247702.db2.gz YIGCYKWMWSLIOQ-ZFWWWQNUSA-N 0 3 304.438 2.370 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cn2cc3ccccc3n2)C[C@@H]1C ZINC000947936916 783273029 /nfs/dbraw/zinc/27/30/29/783273029.db2.gz YYUOUKQULUPTRJ-RDJZCZTQSA-N 0 3 324.428 2.029 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CC#CC)[C@H](C)C1 ZINC000947974867 783282076 /nfs/dbraw/zinc/28/20/76/783282076.db2.gz HNUUENBGOMVUEI-VQIMIIECSA-N 0 3 308.425 2.203 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cncnc2C(C)C)C[C@@H]1C ZINC000948047274 783304074 /nfs/dbraw/zinc/30/40/74/783304074.db2.gz BQMFNQCQRKXZNB-GJZGRUSLSA-N 0 3 314.433 2.206 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc3ccccc3n2C)C[C@H]1C ZINC000948077681 783312467 /nfs/dbraw/zinc/31/24/67/783312467.db2.gz FIEQGPRJSGTPIB-WBVHZDCISA-N 0 3 323.440 2.323 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001089680408 783347590 /nfs/dbraw/zinc/34/75/90/783347590.db2.gz LNQRJJNLTHJDBO-WCVJEAGWSA-N 0 3 306.450 2.062 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)n2C)CC1 ZINC000948185907 783359975 /nfs/dbraw/zinc/35/99/75/783359975.db2.gz XHLQWCLPWRKIGG-INIZCTEOSA-N 0 3 301.434 2.283 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1F ZINC001089716539 783379824 /nfs/dbraw/zinc/37/98/24/783379824.db2.gz KGMVBEHFTQMMOW-AWEZNQCLSA-N 0 3 317.408 2.464 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ncoc2CC)CC1 ZINC000948257502 783397053 /nfs/dbraw/zinc/39/70/53/783397053.db2.gz QVKHGWFEHFFUIF-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000948457653 783473744 /nfs/dbraw/zinc/47/37/44/783473744.db2.gz YJZZPDDFMQIDPW-HNNXBMFYSA-N 0 3 318.392 2.394 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(C)nc2C)C1 ZINC001073899286 790945875 /nfs/dbraw/zinc/94/58/75/790945875.db2.gz PQUMQDFXHDIKQX-INIZCTEOSA-N 0 3 317.433 2.095 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001073904407 790947438 /nfs/dbraw/zinc/94/74/38/790947438.db2.gz DFCHALKXNISDBX-HIEASXQVSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NCCNCc1ccc(F)c(F)c1 ZINC001124483144 783549244 /nfs/dbraw/zinc/54/92/44/783549244.db2.gz KPJVYYDVHLPLCQ-LBPRGKRZSA-N 0 3 312.360 2.152 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cn(C(C)C)cn2)CC1 ZINC000948652340 783550887 /nfs/dbraw/zinc/55/08/87/783550887.db2.gz QDYHDBOXCSMAQW-OAHLLOKOSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc3ccccc3nn2)CC1 ZINC000948662413 783555642 /nfs/dbraw/zinc/55/56/42/783555642.db2.gz YTZUPQACJIGZDC-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000966106157 783564697 /nfs/dbraw/zinc/56/46/97/783564697.db2.gz SZQXDTGJIDDNEU-PBHICJAKSA-N 0 3 324.428 2.106 20 30 DEEDHN CC(F)(F)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000966129673 783573991 /nfs/dbraw/zinc/57/39/91/783573991.db2.gz VYRXBJXSCPGALE-GFCCVEGCSA-N 0 3 311.307 2.043 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C)n1C ZINC001085310742 783634385 /nfs/dbraw/zinc/63/43/85/783634385.db2.gz NDVUZRPUWRKODH-CHWSQXEVSA-N 0 3 310.829 2.112 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)c1c[nH]cn1 ZINC001085393835 783667178 /nfs/dbraw/zinc/66/71/78/783667178.db2.gz MJNPPRVSFLSILS-CHWSQXEVSA-N 0 3 324.856 2.457 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C/C=C\Cl)CCO)CC1 ZINC001098382227 783702035 /nfs/dbraw/zinc/70/20/35/783702035.db2.gz IIIWJDKVJBZSGM-BAQGIRSFSA-N 0 3 314.857 2.381 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C3CC3)on2)C1 ZINC001091170563 790965212 /nfs/dbraw/zinc/96/52/12/790965212.db2.gz OYBYMLFGVSHJEQ-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC000966691874 783733380 /nfs/dbraw/zinc/73/33/80/783733380.db2.gz GFJBMKHWSVVDQZ-KBXCAEBGSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2cnccc2OC)C1 ZINC000966903965 783809589 /nfs/dbraw/zinc/80/95/89/783809589.db2.gz LHLMIXBYHHYAGE-HOCLYGCPSA-N 0 3 317.433 2.035 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC000967081846 783877910 /nfs/dbraw/zinc/87/79/10/783877910.db2.gz CCRSHQHXXOSOLT-DOTOQJQBSA-N 0 3 313.445 2.209 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn(CC(C)C)n1 ZINC001085622626 783896205 /nfs/dbraw/zinc/89/62/05/783896205.db2.gz ACKOTGIAHKFNLF-HNNXBMFYSA-N 0 3 304.438 2.262 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001085671281 783952278 /nfs/dbraw/zinc/95/22/78/783952278.db2.gz SQDRKJOZNOORHA-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000967600789 784067122 /nfs/dbraw/zinc/06/71/22/784067122.db2.gz YPMUVGRQQSELPW-DOMZBBRYSA-N 0 3 317.433 2.420 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000967675456 784088320 /nfs/dbraw/zinc/08/83/20/784088320.db2.gz GFWPAJUHAUSGHZ-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001085857746 784144349 /nfs/dbraw/zinc/14/43/49/784144349.db2.gz GQQJWFUILXRAII-INIZCTEOSA-N 0 3 314.433 2.467 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001085963110 784260200 /nfs/dbraw/zinc/26/02/00/784260200.db2.gz YJYAHJBQYDTUPZ-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)c1 ZINC000968342070 784304381 /nfs/dbraw/zinc/30/43/81/784304381.db2.gz ZHRBNTDCMYBMCX-OAHLLOKOSA-N 0 3 312.348 2.030 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC000968369239 784332292 /nfs/dbraw/zinc/33/22/92/784332292.db2.gz HDPUTBWSBHPRHX-AAEUAGOBSA-N 0 3 324.856 2.398 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001086087277 784396440 /nfs/dbraw/zinc/39/64/40/784396440.db2.gz VJJJLJPKNAKZSF-KWCYVHTRSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001086101022 784408055 /nfs/dbraw/zinc/40/80/55/784408055.db2.gz YAVABMHCBSMXHF-BETUJISGSA-N 0 3 324.856 2.489 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1C ZINC000968521782 784444118 /nfs/dbraw/zinc/44/41/18/784444118.db2.gz WMKSAAKDCWPHFK-LSDHHAIUSA-N 0 3 317.433 2.495 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968578517 784476352 /nfs/dbraw/zinc/47/63/52/784476352.db2.gz GJKPOHDFCPAUIN-WMLDXEAASA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc3c(c2)CCO3)C1 ZINC001086207257 784489077 /nfs/dbraw/zinc/48/90/77/784489077.db2.gz JCSKPPBQDRKMJE-JNSHFYNHSA-N 0 3 320.820 2.472 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001086217842 784498481 /nfs/dbraw/zinc/49/84/81/784498481.db2.gz ALSLFYBAUIFYED-VDISTLRHSA-N 0 3 320.824 2.205 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001086298040 784557045 /nfs/dbraw/zinc/55/70/45/784557045.db2.gz DMBXZSZUOSEAHS-DLKVLKDVSA-N 0 3 315.392 2.338 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1c(C)noc1C ZINC000968750173 784571450 /nfs/dbraw/zinc/57/14/50/784571450.db2.gz GORRIEZCRAOXGE-HNNXBMFYSA-N 0 3 303.406 2.289 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cncnc1C ZINC000968757659 784576099 /nfs/dbraw/zinc/57/60/99/784576099.db2.gz AKFKJNVHTXWJNK-OAHLLOKOSA-N 0 3 302.422 2.336 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC000968874590 784630784 /nfs/dbraw/zinc/63/07/84/784630784.db2.gz NKNVMWFXLQXPGD-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC000968904240 784644764 /nfs/dbraw/zinc/64/47/64/784644764.db2.gz BWYHPOALLVCIFY-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC000968934132 784658854 /nfs/dbraw/zinc/65/88/54/784658854.db2.gz NTZXOMUNCRXDHH-CYBMUJFWSA-N 0 3 307.394 2.234 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC000969109272 784732706 /nfs/dbraw/zinc/73/27/06/784732706.db2.gz ZEDQFEXJSVRAFF-KRWDZBQOSA-N 0 3 316.449 2.454 20 30 DEEDHN COc1cc(C(F)(F)N[C@H](C)CN(C)C)c(C#N)c(Cl)n1 ZINC001155916196 784777538 /nfs/dbraw/zinc/77/75/38/784777538.db2.gz LVWCKOYMSBPUOG-MRVPVSSYSA-N 0 3 318.755 2.204 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001086513808 784819129 /nfs/dbraw/zinc/81/91/29/784819129.db2.gz CWTJMDSHBQRUEB-HOMQSWHASA-N 0 3 318.755 2.129 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001007777999 785001707 /nfs/dbraw/zinc/00/17/07/785001707.db2.gz URXWAJWPNNWKKH-AWEZNQCLSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001007827323 785019814 /nfs/dbraw/zinc/01/98/14/785019814.db2.gz VCEKETRBGHJQAY-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001007986420 785067170 /nfs/dbraw/zinc/06/71/70/785067170.db2.gz XSOFAZQTPNFJJK-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001007990482 785069026 /nfs/dbraw/zinc/06/90/26/785069026.db2.gz NXAGIJOCLPGEHN-CQSZACIVSA-N 0 3 307.463 2.459 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001008054673 785091147 /nfs/dbraw/zinc/09/11/47/785091147.db2.gz AJHLLWBCBLVXAB-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001008110962 785109932 /nfs/dbraw/zinc/10/99/32/785109932.db2.gz ZXWWQHRMBWILNM-MRXNPFEDSA-N 0 3 322.412 2.294 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C)nn(C)c2Cl)C1 ZINC001008112611 785110416 /nfs/dbraw/zinc/11/04/16/785110416.db2.gz IANCRIFLINLQII-LBPRGKRZSA-N 0 3 310.829 2.152 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001008124078 785114122 /nfs/dbraw/zinc/11/41/22/785114122.db2.gz RZGXVGWEBAPWRI-ZDUSSCGKSA-N 0 3 301.415 2.447 20 30 DEEDHN CCOC(=O)[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)CO1 ZINC001169391967 785174463 /nfs/dbraw/zinc/17/44/63/785174463.db2.gz MHCGCLYCOSMLFS-HZPDHXFCSA-N 0 3 302.374 2.101 20 30 DEEDHN COc1ccc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)nn1 ZINC001169475843 785213951 /nfs/dbraw/zinc/21/39/51/785213951.db2.gz YBRGZHYWOURASA-YBFXNURJSA-N 0 3 310.361 2.190 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1C[C@@H]1C(C)C ZINC001169679737 785300002 /nfs/dbraw/zinc/30/00/02/785300002.db2.gz HIOJMZMLYYYKCT-NEPJUHHUSA-N 0 3 303.244 2.283 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001009019005 785362692 /nfs/dbraw/zinc/36/26/92/785362692.db2.gz SOVFRPLQJLMHEB-CQSZACIVSA-N 0 3 303.406 2.120 20 30 DEEDHN COc1nscc1CNCCCC[C@H](C)NC(=O)[C@@H](C)C#N ZINC001169821705 785380321 /nfs/dbraw/zinc/38/03/21/785380321.db2.gz MUFSAPYAJPRLRB-RYUDHWBXSA-N 0 3 324.450 2.076 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2ncccc2OCC=C)C1 ZINC001009124678 785391872 /nfs/dbraw/zinc/39/18/72/785391872.db2.gz RAUFCJVMWUSPLU-HNNXBMFYSA-N 0 3 315.417 2.417 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001009135291 785392523 /nfs/dbraw/zinc/39/25/23/785392523.db2.gz XWOKUZGRQJTWRO-GFCCVEGCSA-N 0 3 324.856 2.406 20 30 DEEDHN C#CCOc1ncccc1C(=O)N[C@@H]1CCCN(CCCC)C1 ZINC001009264915 785418888 /nfs/dbraw/zinc/41/88/88/785418888.db2.gz WGFCMRCZAYNGKU-OAHLLOKOSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001009421201 785451526 /nfs/dbraw/zinc/45/15/26/785451526.db2.gz CLKJNXKMWXWJHR-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001009475965 785459857 /nfs/dbraw/zinc/45/98/57/785459857.db2.gz LAPGVANNBDPQSK-KRWDZBQOSA-N 0 3 300.402 2.051 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[C@H]2C(F)F)cc1 ZINC001129375718 785655154 /nfs/dbraw/zinc/65/51/54/785655154.db2.gz PAEAWEKXWJNRKC-CABCVRRESA-N 0 3 321.371 2.445 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001086530725 785748042 /nfs/dbraw/zinc/74/80/42/785748042.db2.gz NRCXGLXFHYTWKT-AULYBMBSSA-N 0 3 307.825 2.354 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccncc1)C2 ZINC001109445389 785880134 /nfs/dbraw/zinc/88/01/34/785880134.db2.gz ZKCYYNDWLATBJX-BGTYHANMSA-N 0 3 311.429 2.320 20 30 DEEDHN CCN(CC)CC(=O)N(C)CCCNc1cccc(F)c1C#N ZINC001109452251 785883058 /nfs/dbraw/zinc/88/30/58/785883058.db2.gz DFPHFZHVOQIWBJ-UHFFFAOYSA-N 0 3 320.412 2.300 20 30 DEEDHN Cc1ccc(CCN2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001010689812 785896461 /nfs/dbraw/zinc/89/64/61/785896461.db2.gz MBGLFRDWTUTPLP-KRWDZBQOSA-N 0 3 322.412 2.242 20 30 DEEDHN Cc1ccccc1CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010692010 785897937 /nfs/dbraw/zinc/89/79/37/785897937.db2.gz UNYIXWDAJZKWTQ-MRXNPFEDSA-N 0 3 308.385 2.199 20 30 DEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OCC)no1)C2 ZINC001109530010 785917311 /nfs/dbraw/zinc/91/73/11/785917311.db2.gz CDZZNSNAUNXAQB-RDBSUJKOSA-N 0 3 319.405 2.375 20 30 DEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001109604714 785956758 /nfs/dbraw/zinc/95/67/58/785956758.db2.gz WGBLSHVZBLDWJF-YVSFHVDLSA-N 0 3 306.450 2.327 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)CCC1 ZINC001109683553 785986092 /nfs/dbraw/zinc/98/60/92/785986092.db2.gz QUPNNPQJMRUBJD-WCVJEAGWSA-N 0 3 306.450 2.489 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCCCO1)C2 ZINC001109778120 786052120 /nfs/dbraw/zinc/05/21/20/786052120.db2.gz ATUUTXOLMSRMLS-NCOADZHNSA-N 0 3 304.434 2.081 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001086541440 786170332 /nfs/dbraw/zinc/17/03/32/786170332.db2.gz HLQWOOLRZKIKQG-QEJZJMRPSA-N 0 3 319.836 2.033 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC001086546100 786190339 /nfs/dbraw/zinc/19/03/39/786190339.db2.gz UHPDXJCWEVEWAO-JOCQHMNTSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001086563629 786254415 /nfs/dbraw/zinc/25/44/15/786254415.db2.gz QDIVIEGEXJMNDH-TUVASFSCSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC001113045143 786381061 /nfs/dbraw/zinc/38/10/61/786381061.db2.gz ZXHWHOMICNMVCY-HNNXBMFYSA-N 0 3 316.449 2.259 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001086578265 786403372 /nfs/dbraw/zinc/40/33/72/786403372.db2.gz DQXLNWQLRRUKQB-OKZBNKHCSA-N 0 3 314.429 2.183 20 30 DEEDHN CC#CCCCC(=O)N1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001113232047 786462181 /nfs/dbraw/zinc/46/21/81/786462181.db2.gz BXVGMBFGSSEFJG-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC001113387608 786557103 /nfs/dbraw/zinc/55/71/03/786557103.db2.gz IDNZQIJKSCPTQA-ZDUSSCGKSA-N 0 3 310.829 2.035 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2coc3cc(F)ccc23)C1 ZINC001014399534 786571209 /nfs/dbraw/zinc/57/12/09/786571209.db2.gz OMMAYWANTFFJPB-HNNXBMFYSA-N 0 3 314.360 2.328 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001014688544 786707103 /nfs/dbraw/zinc/70/71/03/786707103.db2.gz NXIDAFPURCAJIC-AWEZNQCLSA-N 0 3 301.390 2.045 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC001113612773 786726713 /nfs/dbraw/zinc/72/67/13/786726713.db2.gz RYCJEEGUACOAGV-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014984312 786840848 /nfs/dbraw/zinc/84/08/48/786840848.db2.gz QQLWTFMJALQUJH-HNNXBMFYSA-N 0 3 304.821 2.405 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015369735 787020495 /nfs/dbraw/zinc/02/04/95/787020495.db2.gz AVTAJNBAHLWUGQ-CEXWTWQISA-N 0 3 310.441 2.469 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001114005529 787043946 /nfs/dbraw/zinc/04/39/46/787043946.db2.gz RVLAUWVNEUYQMO-DZFIZOCASA-N 0 3 312.413 2.229 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC001015599895 787133283 /nfs/dbraw/zinc/13/32/83/787133283.db2.gz WZTRTCNKYKQGKT-CQSZACIVSA-N 0 3 314.389 2.060 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCCC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129677277 787239792 /nfs/dbraw/zinc/23/97/92/787239792.db2.gz CKKIPIYYLORFMA-CABCVRRESA-N 0 3 319.453 2.022 20 30 DEEDHN CCCc1cc(C(=O)NCCNCc2ccc(C#N)cc2)ccn1 ZINC001129942117 787261300 /nfs/dbraw/zinc/26/13/00/787261300.db2.gz WZSHFYAOENBVIV-UHFFFAOYSA-N 0 3 322.412 2.425 20 30 DEEDHN COCC#CCNCCNC(=O)c1ccccc1CC(C)(C)C ZINC001130058538 787281643 /nfs/dbraw/zinc/28/16/43/787281643.db2.gz FMYWDGWDHRTCKX-UHFFFAOYSA-N 0 3 316.445 2.244 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CSC(C)C)C1 ZINC001130348532 787355023 /nfs/dbraw/zinc/35/50/23/787355023.db2.gz PTDNVSLUOUHUDT-CYBMUJFWSA-N 0 3 322.478 2.143 20 30 DEEDHN Cc1cccnc1CNC1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001100317254 787365834 /nfs/dbraw/zinc/36/58/34/787365834.db2.gz LHLAVAOHBLPNKA-UHFFFAOYSA-N 0 3 313.445 2.424 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C[C@H](C)CC)C1 ZINC001130381513 787371213 /nfs/dbraw/zinc/37/12/13/787371213.db2.gz ZNYHJKFKNBHQRQ-ZIAGYGMSSA-N 0 3 304.438 2.437 20 30 DEEDHN CC(F)(F)CCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001130391400 787375476 /nfs/dbraw/zinc/37/54/76/787375476.db2.gz AETDOJLDJLDZKL-UHFFFAOYSA-N 0 3 313.323 2.339 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@H](O)C1 ZINC001090485305 787405803 /nfs/dbraw/zinc/40/58/03/787405803.db2.gz GMDPGLOAWYUKQU-JKSUJKDBSA-N 0 3 320.408 2.184 20 30 DEEDHN COCc1ccccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001130771301 787473988 /nfs/dbraw/zinc/47/39/88/787473988.db2.gz OHPQXAGMDRVNLL-UHFFFAOYSA-N 0 3 323.396 2.224 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C2 ZINC001096086398 787496628 /nfs/dbraw/zinc/49/66/28/787496628.db2.gz YXLCNGPOBFPTMG-AGIUHOORSA-N 0 3 322.840 2.293 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)CCC1CCCCCC1 ZINC001131436652 787623786 /nfs/dbraw/zinc/62/37/86/787623786.db2.gz ORKJAXILQRGEST-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)O[C@]2(CCN(CCOC(C)C)C2)C1 ZINC001131649175 787671543 /nfs/dbraw/zinc/67/15/43/787671543.db2.gz HGICIYPYYONSTO-WMZOPIPTSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCOCC)C2)C1 ZINC001131665018 787675495 /nfs/dbraw/zinc/67/54/95/787675495.db2.gz BYGQPKNOGPTAHD-SJLPKXTDSA-N 0 3 324.465 2.071 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC1(C)CC1)C[C@@H](C)O2 ZINC001131694463 787693276 /nfs/dbraw/zinc/69/32/76/787693276.db2.gz XROCQJUCKSGWLV-VQIMIIECSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3c(cccc3C)n1)C2 ZINC001096512196 787705621 /nfs/dbraw/zinc/70/56/21/787705621.db2.gz YWORDUFFXULLJL-VYDXJSESSA-N 0 3 322.412 2.001 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCCNCc1csc(C)c1 ZINC001131870360 787777660 /nfs/dbraw/zinc/77/76/60/787777660.db2.gz QZHIOPVLUAVYBQ-MRXNPFEDSA-N 0 3 310.463 2.491 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCCNCc1cccc(F)c1 ZINC001131867677 787782831 /nfs/dbraw/zinc/78/28/31/787782831.db2.gz UFUIOQITUQFETG-QGZVFWFLSA-N 0 3 308.397 2.260 20 30 DEEDHN CC1(C(=O)NCCNCc2ccc(F)c(C#N)c2)CCCC1 ZINC001132003850 787880293 /nfs/dbraw/zinc/88/02/93/787880293.db2.gz BYXADPVLMDWRIB-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132056711 787908281 /nfs/dbraw/zinc/90/82/81/787908281.db2.gz CFPRTMKIVIVKCY-QWHCGFSZSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001132105231 787932539 /nfs/dbraw/zinc/93/25/39/787932539.db2.gz CZAGVUDOHGKNHO-CVEARBPZSA-N 0 3 319.449 2.293 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COCc2cc(C)on2)CC[C@@H]1C ZINC001132123732 787937474 /nfs/dbraw/zinc/93/74/74/787937474.db2.gz IPYABFSUIABYGK-ZFWWWQNUSA-N 0 3 321.421 2.045 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COCC2CCCC2)CC[C@H]1C ZINC001132116738 787938454 /nfs/dbraw/zinc/93/84/54/787938454.db2.gz UVFLSWBOQHGMNX-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(F)c(C#N)c2)cc1 ZINC001132215602 787975291 /nfs/dbraw/zinc/97/52/91/787975291.db2.gz BCIHNEMKUFLINQ-UHFFFAOYSA-N 0 3 321.355 2.198 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1Cc3ccccc3O1)C2 ZINC001097127151 787987733 /nfs/dbraw/zinc/98/77/33/787987733.db2.gz QUGCTSHFYMDYEU-TVFCKZIOSA-N 0 3 324.424 2.125 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(CC)c1Cl)C2 ZINC001097240734 788032231 /nfs/dbraw/zinc/03/22/31/788032231.db2.gz ZEJUXSAOAOCGRT-JLLWLGSASA-N 0 3 308.813 2.147 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)CC[C@H]1C ZINC001132326646 788035891 /nfs/dbraw/zinc/03/58/91/788035891.db2.gz GQQZHOVCQXQLNW-ZBFHGGJFSA-N 0 3 319.449 2.417 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2cn(C)nc2C)CC[C@H]1C ZINC001132339987 788037912 /nfs/dbraw/zinc/03/79/12/788037912.db2.gz LMPVEFUPMYUADK-RHSMWYFYSA-N 0 3 318.465 2.206 20 30 DEEDHN C=CC(C)(C)C(=O)NCCNCC(=O)N(CC)C1CCCCC1 ZINC001132396059 788055199 /nfs/dbraw/zinc/05/51/99/788055199.db2.gz ZZDKESHCTZEXOQ-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccnn2CC)C1 ZINC001086681924 788065626 /nfs/dbraw/zinc/06/56/26/788065626.db2.gz ODIQRXXKLJNFBY-QWHCGFSZSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(=O)NCCC)CC[C@H]1C ZINC001132429459 788069468 /nfs/dbraw/zinc/06/94/68/788069468.db2.gz MJFBHOBDSOOFPZ-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1COC)C2 ZINC001097335803 788074010 /nfs/dbraw/zinc/07/40/10/788074010.db2.gz SLNIDBQBNAAJJY-YUELXQCFSA-N 0 3 318.442 2.253 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccc(C)cc2)CC[C@@H]1C ZINC001132469657 788089068 /nfs/dbraw/zinc/08/90/68/788089068.db2.gz UMRODJOLVDEJGX-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCNC(=O)CC(C)C)CC[C@H]1C ZINC001132543063 788120007 /nfs/dbraw/zinc/12/00/07/788120007.db2.gz UTBVAGHDXRNOCY-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132569376 788132970 /nfs/dbraw/zinc/13/29/70/788132970.db2.gz PLIKYTQXBXQXSY-KBPBESRZSA-N 0 3 318.417 2.122 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2 ZINC001097567310 788137330 /nfs/dbraw/zinc/13/73/30/788137330.db2.gz CNZBHXXCKJOOSK-MTSZKFMLSA-N 0 3 304.434 2.099 20 30 DEEDHN CCC[C@@H](OCC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001132628208 788150687 /nfs/dbraw/zinc/15/06/87/788150687.db2.gz TZAMNAWVQNJUGJ-MRXNPFEDSA-N 0 3 321.396 2.108 20 30 DEEDHN C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132658856 788153428 /nfs/dbraw/zinc/15/34/28/788153428.db2.gz LYZYTKUFEGAOIW-CABCVRRESA-N 0 3 300.402 2.103 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132659826 788157982 /nfs/dbraw/zinc/15/79/82/788157982.db2.gz FGGDJOYVJBFXRJ-AWEZNQCLSA-N 0 3 318.417 2.266 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001132663434 788159117 /nfs/dbraw/zinc/15/91/17/788159117.db2.gz XBVPHCDPUOHAFC-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2cc(C)no2)C1 ZINC001132786137 788191664 /nfs/dbraw/zinc/19/16/64/788191664.db2.gz OTVHMOKMNSWBIF-ZBFHGGJFSA-N 0 3 317.433 2.361 20 30 DEEDHN COC1CCC(C(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001133086034 788276921 /nfs/dbraw/zinc/27/69/21/788276921.db2.gz SFSSIRSFKBONGX-UHFFFAOYSA-N 0 3 321.446 2.031 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001097969012 788299714 /nfs/dbraw/zinc/29/97/14/788299714.db2.gz BNGNTYQCMVWUES-KURKYZTESA-N 0 3 307.397 2.298 20 30 DEEDHN CCCC1(C(=O)NCCNCc2ccc(F)c(C#N)c2)CC1 ZINC001133456872 788438396 /nfs/dbraw/zinc/43/83/96/788438396.db2.gz FXLLGDAAIHVEFG-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CCCOC ZINC001133792621 788608856 /nfs/dbraw/zinc/60/88/56/788608856.db2.gz BJGWSUASKCKEEV-RYUDHWBXSA-N 0 3 321.259 2.195 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)c1ccon1 ZINC001133816821 788623912 /nfs/dbraw/zinc/62/39/12/788623912.db2.gz SVYMAWDEBKBYNM-NXEZZACHSA-N 0 3 316.199 2.070 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001133910180 788667888 /nfs/dbraw/zinc/66/78/88/788667888.db2.gz WRVNNRRHMZDIFZ-QHABWNLFSA-N 0 3 309.237 2.381 20 30 DEEDHN C=CCOCCCC(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001134019442 788715571 /nfs/dbraw/zinc/71/55/71/788715571.db2.gz VGFXGELULTUMLX-UONOGXRCSA-N 0 3 323.437 2.339 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)C#CC1CC1 ZINC001134326605 788872746 /nfs/dbraw/zinc/87/27/46/788872746.db2.gz SOYCADQSOVCQHR-NWDGAFQWSA-N 0 3 313.239 2.181 20 30 DEEDHN C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134417932 788921879 /nfs/dbraw/zinc/92/18/79/788921879.db2.gz BPOWLEBWAAEBDP-NEPJUHHUSA-N 0 3 301.394 2.021 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H](F)c2ccccc2)cc1 ZINC001134437349 788933071 /nfs/dbraw/zinc/93/30/71/788933071.db2.gz VWOLQOCCDUVPMR-KRWDZBQOSA-N 0 3 311.360 2.475 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001134471846 788948071 /nfs/dbraw/zinc/94/80/71/788948071.db2.gz YOOGVRDQAMYFDZ-ZIAGYGMSSA-N 0 3 306.454 2.458 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCc1ccc(F)cc1 ZINC001135142113 789214718 /nfs/dbraw/zinc/21/47/18/789214718.db2.gz GVMBNGUPCYJLTG-HOTGVXAUSA-N 0 3 306.381 2.013 20 30 DEEDHN C=CC1(CC(=O)NCCNCC(=O)N[C@H](C)CC)CCCCC1 ZINC001135190747 789229851 /nfs/dbraw/zinc/22/98/51/789229851.db2.gz LHAATPVYRHFYGO-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nccn1C ZINC001135185090 789236577 /nfs/dbraw/zinc/23/65/77/789236577.db2.gz TYFYBWRMJAANFH-UONOGXRCSA-N 0 3 306.454 2.395 20 30 DEEDHN C[C@@H](CNC(=O)C1(N(C)C)CCC1)Nc1cccc(F)c1C#N ZINC001098100627 789241297 /nfs/dbraw/zinc/24/12/97/789241297.db2.gz ZODFPOYSQPGYER-LBPRGKRZSA-N 0 3 318.396 2.098 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccsc2)C1 ZINC001070394611 789305800 /nfs/dbraw/zinc/30/58/00/789305800.db2.gz NHKZRXBPELFXKD-GFCCVEGCSA-N 0 3 316.430 2.377 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2C=CC=CC=C2)C1 ZINC001070409799 789315140 /nfs/dbraw/zinc/31/51/40/789315140.db2.gz MQECEOUOCLXQCQ-INIZCTEOSA-N 0 3 324.428 2.300 20 30 DEEDHN COCC#CCNCCNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001135405351 789320369 /nfs/dbraw/zinc/32/03/69/789320369.db2.gz HKUCSDLAAMQLGE-HOTGVXAUSA-N 0 3 308.466 2.195 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070519752 789362552 /nfs/dbraw/zinc/36/25/52/789362552.db2.gz SLXPYTJBOMGJEQ-GOEBONIOSA-N 0 3 316.449 2.070 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H]1CCCOCC1 ZINC001170821126 789388516 /nfs/dbraw/zinc/38/85/16/789388516.db2.gz KQMWUPVFNBDYBG-ZBFHGGJFSA-N 0 3 305.422 2.091 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nccn1C ZINC001135562413 789399996 /nfs/dbraw/zinc/39/99/96/789399996.db2.gz ZAFHVISHSNSQGD-UONOGXRCSA-N 0 3 306.454 2.395 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1ncccn1)NCc1ccccc1C#N ZINC001135730176 789470142 /nfs/dbraw/zinc/47/01/42/789470142.db2.gz NPOZAOONGPGQFK-ZIAGYGMSSA-N 0 3 323.400 2.035 20 30 DEEDHN C[C@H](C[C@H](C)NC(=O)c1ccncn1)NCc1ccccc1C#N ZINC001135747438 789476672 /nfs/dbraw/zinc/47/66/72/789476672.db2.gz QFMLQHJOERHTHW-KGLIPLIRSA-N 0 3 323.400 2.035 20 30 DEEDHN C=C(Br)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001086778536 789496394 /nfs/dbraw/zinc/49/63/94/789496394.db2.gz SIAWJMJRHHBQMI-SYEHKZFSSA-N 0 3 315.255 2.426 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071020200 789499202 /nfs/dbraw/zinc/49/92/02/789499202.db2.gz TUMMZGWTJYOFNT-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC)CC1 ZINC001071026931 789500344 /nfs/dbraw/zinc/50/03/44/789500344.db2.gz SHQXXTGZAUCASI-HIFRSBDPSA-N 0 3 300.830 2.135 20 30 DEEDHN CC[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001135864146 789530051 /nfs/dbraw/zinc/53/00/51/789530051.db2.gz SDUFZBDQCSAFAV-ZIAGYGMSSA-N 0 3 317.433 2.455 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccoc1C)C[C@@H](C)O2 ZINC001071129750 789542870 /nfs/dbraw/zinc/54/28/70/789542870.db2.gz QRVHAUQKVQXJEQ-RDTXWAMCSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CCN(CC(=C)C)C2)C1 ZINC001071196901 789586300 /nfs/dbraw/zinc/58/63/00/789586300.db2.gz KFNSWLSTUKVYSU-YJBOKZPZSA-N 0 3 306.450 2.467 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C)CC=CC1)C[C@@H](C)O2 ZINC001071208904 789592810 /nfs/dbraw/zinc/59/28/10/789592810.db2.gz BMSHIWKGMOZWAY-APWZRJJASA-N 0 3 316.445 2.058 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C(C)C)CC1)C[C@@H](C)O2 ZINC001071213841 789598371 /nfs/dbraw/zinc/59/83/71/789598371.db2.gz LHARLJLYFNHQCO-AEFFLSMTSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001071261449 789615720 /nfs/dbraw/zinc/61/57/20/789615720.db2.gz YCUJOWLHQWJOLL-CRAIPNDOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)CC[C@H]1C ZINC001071540888 789767343 /nfs/dbraw/zinc/76/73/43/789767343.db2.gz XORMPTAECDJDGT-HIFRSBDPSA-N 0 3 316.449 2.456 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cc[nH]c3c2)CC[C@@H]1C ZINC001071606030 789808940 /nfs/dbraw/zinc/80/89/40/789808940.db2.gz FJOWRHKUEAHDJS-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@H]1C ZINC001071626620 789824122 /nfs/dbraw/zinc/82/41/22/789824122.db2.gz XYLYRDQRYGZCFR-RHSMWYFYSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)CC[C@@H]1C ZINC001071641886 789835596 /nfs/dbraw/zinc/83/55/96/789835596.db2.gz HGSFPNTZAWPMRR-LSDHHAIUSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc3cnccc3c2)CC[C@H]1C ZINC001071686652 789864851 /nfs/dbraw/zinc/86/48/51/789864851.db2.gz XGCGBWPGFFPOJI-RHSMWYFYSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C3CC3)on2)CC[C@H]1C ZINC001071715602 789883329 /nfs/dbraw/zinc/88/33/29/789883329.db2.gz IMFCODUGRBSAEP-TZMCWYRMSA-N 0 3 301.390 2.158 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)N(CCCF)C2)c1 ZINC001071813866 789927576 /nfs/dbraw/zinc/92/75/76/789927576.db2.gz FGDBDTLBKJWVGK-XJKSGUPXSA-N 0 3 303.381 2.005 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(C)c2CC)CC[C@H]1C ZINC001071827817 789933649 /nfs/dbraw/zinc/93/36/49/789933649.db2.gz DQMMXFUUKYKQBQ-HUUCEWRRSA-N 0 3 301.434 2.194 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2scnc2COC)CC[C@H]1C ZINC001071883923 789957941 /nfs/dbraw/zinc/95/79/41/789957941.db2.gz UOTLVDMJMGZRNG-CHWSQXEVSA-N 0 3 323.462 2.448 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)nc(C)n2)CC[C@@H]1C ZINC001071894047 789962317 /nfs/dbraw/zinc/96/23/17/789962317.db2.gz VQEANJAUJREPDL-DZGCQCFKSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)nn(CC)c2C)CC[C@@H]1C ZINC001071899602 789964656 /nfs/dbraw/zinc/96/46/56/789964656.db2.gz BUDXMEJQTZTMRC-XJKSGUPXSA-N 0 3 316.449 2.126 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]nc2C2CC2)CC[C@@H]1C ZINC001071954475 789985406 /nfs/dbraw/zinc/98/54/06/789985406.db2.gz PJFTXVMNIYREHJ-GXTWGEPZSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)CC[C@@H]1C ZINC001071961904 789989567 /nfs/dbraw/zinc/98/95/67/789989567.db2.gz XXSHBGMGHPXXOW-GJZGRUSLSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]c3cccnc32)CC[C@@H]1C ZINC001071993665 790002290 /nfs/dbraw/zinc/00/22/90/790002290.db2.gz VPHFYMQHLMPQBR-UONOGXRCSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccccc2F)CC[C@@H]1C ZINC001072034460 790023580 /nfs/dbraw/zinc/02/35/80/790023580.db2.gz YYPMVJWBADPBBS-GOEBONIOSA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3nccnc3c2)CC[C@H]1C ZINC001072058811 790036767 /nfs/dbraw/zinc/03/67/67/790036767.db2.gz RWSIMUHQOFXIFA-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)CC4CC4)C3)C2)cc1 ZINC001072382495 790128709 /nfs/dbraw/zinc/12/87/09/790128709.db2.gz KMTSXSODPDSQOM-UHFFFAOYSA-N 0 3 309.413 2.393 20 30 DEEDHN N#Cc1cccc(CN2CCC3(CN(C(=O)c4ccc[nH]4)C3)C2)c1 ZINC001072463567 790150980 /nfs/dbraw/zinc/15/09/80/790150980.db2.gz MESHTSIVHYAHSO-UHFFFAOYSA-N 0 3 320.396 2.234 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001075032341 791436637 /nfs/dbraw/zinc/43/66/37/791436637.db2.gz PKTHJKVVSJBWJU-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)[C@@H](C)C1 ZINC001075140050 791479472 /nfs/dbraw/zinc/47/94/72/791479472.db2.gz SLZYYDUXMBYCSD-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001075139981 791479630 /nfs/dbraw/zinc/47/96/30/791479630.db2.gz RLJITSKNVUIYOR-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@@H](C)F)nc1 ZINC001098246769 791596504 /nfs/dbraw/zinc/59/65/04/791596504.db2.gz SPSLSFPGGSEJDR-WNOSKKOXSA-N 0 3 315.392 2.146 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001098319464 791607507 /nfs/dbraw/zinc/60/75/07/791607507.db2.gz ODMNKLCVYLZCPL-WQVCFCJDSA-N 0 3 310.401 2.474 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)s1)C2 ZINC001098462005 791635334 /nfs/dbraw/zinc/63/53/34/791635334.db2.gz UZOTWDGZPYUOOH-BMFZPTHFSA-N 0 3 302.443 2.344 20 30 DEEDHN C=CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2snnc2C)C1 ZINC001098721857 791683441 /nfs/dbraw/zinc/68/34/41/791683441.db2.gz DXSRBVXVOKNGDL-WFASDCNBSA-N 0 3 306.435 2.007 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)CC(F)(F)F)C2)C1 ZINC001148205360 791706428 /nfs/dbraw/zinc/70/64/28/791706428.db2.gz GJPLHJPVNGBAKR-LBPRGKRZSA-N 0 3 302.340 2.133 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN[C@@H](C)c2cccc(F)c2)cn1 ZINC001148389751 791739250 /nfs/dbraw/zinc/73/92/50/791739250.db2.gz SXRJWEBDQRWAGU-ZDUSSCGKSA-N 0 3 311.360 2.283 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC3(O)CCC3)C2)CC1 ZINC001086922803 791853141 /nfs/dbraw/zinc/85/31/41/791853141.db2.gz AGEWFVUFCIYYBF-MRXNPFEDSA-N 0 3 318.461 2.018 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)Cc3cscn3)C2)CC1 ZINC001086946877 791858544 /nfs/dbraw/zinc/85/85/44/791858544.db2.gz KIROPOGXGWNDPI-CQSZACIVSA-N 0 3 317.458 2.022 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cc(F)c[nH]3)C2)CC1 ZINC001086932729 791860360 /nfs/dbraw/zinc/86/03/60/791860360.db2.gz SICXIXHGJQFSTG-ZDUSSCGKSA-N 0 3 303.381 2.104 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](OC)C3CCC3)C2)CC1 ZINC001086934736 791861142 /nfs/dbraw/zinc/86/11/42/791861142.db2.gz ZDAQJGYPDOJBGN-DOTOQJQBSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)Cc3ccco3)C2)CC1 ZINC001086949890 791861737 /nfs/dbraw/zinc/86/17/37/791861737.db2.gz MKVFCAWKSXIPKV-HNNXBMFYSA-N 0 3 300.402 2.158 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)ccc3OC)C[C@]2(C)C1 ZINC001091831004 791887623 /nfs/dbraw/zinc/88/76/23/791887623.db2.gz DHEHOKGNGKDWLT-BEFAXECRSA-N 0 3 312.413 2.031 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3oc(CC)cc3C)C[C@]2(C)C1 ZINC001092202341 791945042 /nfs/dbraw/zinc/94/50/42/791945042.db2.gz HPLKGOKUSXYXCM-KDOFPFPSSA-N 0 3 300.402 2.178 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@]2(C)C1 ZINC001092225273 791949903 /nfs/dbraw/zinc/94/99/03/791949903.db2.gz YDGOTPGUFWVQBS-QUCCMNQESA-N 0 3 310.441 2.423 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3ncccc3o2)C1 ZINC001098945905 791995201 /nfs/dbraw/zinc/99/52/01/791995201.db2.gz PBYDNQQSPNHDNF-LIRRHRJNSA-N 0 3 323.396 2.435 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C1CC1 ZINC001092414733 792028917 /nfs/dbraw/zinc/02/89/17/792028917.db2.gz LJFOLGFBZNICPD-DGCLKSJQSA-N 0 3 303.431 2.214 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(CCC)c2)C1 ZINC001099057519 792066115 /nfs/dbraw/zinc/06/61/15/792066115.db2.gz XYQJZKZSPNZJQB-RDJZCZTQSA-N 0 3 302.422 2.063 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(C)C)no2)C1 ZINC001099060581 792068997 /nfs/dbraw/zinc/06/89/97/792068997.db2.gz AUSMYOFFMRARPJ-KSSFIOAISA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)C ZINC001099065421 792070804 /nfs/dbraw/zinc/07/08/04/792070804.db2.gz SNSPPWZIVRDAGH-QGZVFWFLSA-N 0 3 320.477 2.455 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(C3CC3)n2)C1 ZINC001099067629 792072961 /nfs/dbraw/zinc/07/29/61/792072961.db2.gz ISJRZWKTZAOECT-KSSFIOAISA-N 0 3 313.401 2.160 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)c1ccnn1C ZINC001099080152 792079324 /nfs/dbraw/zinc/07/93/24/792079324.db2.gz MXRJUVBPXKAWQQ-HUUCEWRRSA-N 0 3 318.465 2.316 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn3ccccc23)C1 ZINC001099082739 792082886 /nfs/dbraw/zinc/08/28/86/792082886.db2.gz CHKWYSXNQKKDJC-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccccc2F)C1 ZINC001099145679 792114193 /nfs/dbraw/zinc/11/41/93/792114193.db2.gz JDLOTVVBAMGNFW-LPHOPBHVSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3nccnc3c2)C1 ZINC001099152445 792118476 /nfs/dbraw/zinc/11/84/76/792118476.db2.gz JTAVGTLVYOZWDO-KXBFYZLASA-N 0 3 322.412 2.400 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csc(COC)n2)C1 ZINC001099182205 792128592 /nfs/dbraw/zinc/12/85/92/792128592.db2.gz BCYUANBNGCUXJF-LRDDRELGSA-N 0 3 321.446 2.060 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOC ZINC001099189808 792131664 /nfs/dbraw/zinc/13/16/64/792131664.db2.gz XKAVKLYELKBJDW-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)COc1cccnc1 ZINC001099275510 792158322 /nfs/dbraw/zinc/15/83/22/792158322.db2.gz FQKMXRFBRBMSGA-OAHLLOKOSA-N 0 3 317.433 2.253 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](F)CC)CC2(CCOCC2)C1 ZINC001099588601 792253968 /nfs/dbraw/zinc/25/39/68/792253968.db2.gz FKYZCGBECUFRFC-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001099911397 792399419 /nfs/dbraw/zinc/39/94/19/792399419.db2.gz IRXLDJBIAIAWER-MSOLQXFVSA-N 0 3 316.445 2.055 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@H](O)C1 ZINC001099916644 792401512 /nfs/dbraw/zinc/40/15/12/792401512.db2.gz QNOAZVWXOGMSED-JKSUJKDBSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001100092514 792469977 /nfs/dbraw/zinc/46/99/77/792469977.db2.gz ONDCJKZIXIGWOU-RYUDHWBXSA-N 0 3 322.371 2.093 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)[C@@H](O)C1 ZINC001100133497 792483903 /nfs/dbraw/zinc/48/39/03/792483903.db2.gz AUCCZERLFYSKPH-ROUUACIJSA-N 0 3 322.493 2.270 20 30 DEEDHN Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c(C)s1 ZINC001093679095 792542312 /nfs/dbraw/zinc/54/23/12/792542312.db2.gz QOTSYDYYTOZKSI-MISXGVKJSA-N 0 3 320.462 2.104 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001100573737 792727063 /nfs/dbraw/zinc/72/70/63/792727063.db2.gz JTPJBQTWHBNRMJ-PESDSKBTSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001100664232 792776923 /nfs/dbraw/zinc/77/69/23/792776923.db2.gz AQVBGBUMRMUWDX-HSBZDZAISA-N 0 3 323.824 2.086 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cn2ccnc2C(C)C)C1 ZINC001100720016 792809989 /nfs/dbraw/zinc/80/99/89/792809989.db2.gz CQTCWDYXBXHJEX-UHFFFAOYSA-N 0 3 324.856 2.243 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ncccc3CC)CCC[C@@H]12 ZINC001094453738 792930497 /nfs/dbraw/zinc/93/04/97/792930497.db2.gz AZVKCWXVGSLYGT-VQIMIIECSA-N 0 3 311.429 2.252 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)CC(C)=C(C)C)C[C@]2(C)C1 ZINC001101326809 793117956 /nfs/dbraw/zinc/11/79/56/793117956.db2.gz IUNHDGVAJXSPSU-MJGOQNOKSA-N 0 3 318.461 2.163 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCc3ccccc3)C[C@]2(C)C1 ZINC001101349764 793131118 /nfs/dbraw/zinc/13/11/18/793131118.db2.gz BYNQZPPFMZSKDQ-QUCCMNQESA-N 0 3 310.441 2.423 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)CCCC(C)C)C[C@]2(C)C1 ZINC001101372988 793135618 /nfs/dbraw/zinc/13/56/18/793135618.db2.gz KXUSPIMHDCDOKZ-MJGOQNOKSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC2(CN(CC3CCC3)C2)n2ccnc21 ZINC001101615179 793272498 /nfs/dbraw/zinc/27/24/98/793272498.db2.gz BTEZAKIENSBJNG-HNNXBMFYSA-N 0 3 314.433 2.221 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@@H]3COC(C)(C)C3)C2)CC1 ZINC001172284222 793401800 /nfs/dbraw/zinc/40/18/00/793401800.db2.gz PQLTUUSDTJBCDU-AWEZNQCLSA-N 0 3 308.422 2.274 20 30 DEEDHN C[C@H](CCCC#N)N1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001172499524 793438795 /nfs/dbraw/zinc/43/87/95/793438795.db2.gz SZSVVBPHSIBQPY-OAHLLOKOSA-N 0 3 312.417 2.312 20 30 DEEDHN Cn1cccc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172965048 793545759 /nfs/dbraw/zinc/54/57/59/793545759.db2.gz ALVQTEGMECETBL-HIFRSBDPSA-N 0 3 318.421 2.406 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102260999 793548440 /nfs/dbraw/zinc/54/84/40/793548440.db2.gz KSIZJNIKAWDTNM-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H](C)C2CCCC2)[C@H](C)C1 ZINC001102506900 793635570 /nfs/dbraw/zinc/63/55/70/793635570.db2.gz HJBUBOXMLNFKEQ-JFIYKMOQSA-N 0 3 320.477 2.147 20 30 DEEDHN C=CCOC1CCC(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)CC1 ZINC001173321019 793677569 /nfs/dbraw/zinc/67/75/69/793677569.db2.gz VFVWGUGGCXAMIJ-YHFFBGSDSA-N 0 3 320.477 2.295 20 30 DEEDHN C=CCOC1CCC(N2CC([C@H](N)C(=O)OC(C)(C)C)C2)CC1 ZINC001173319862 793691735 /nfs/dbraw/zinc/69/17/35/793691735.db2.gz YWFDZJRBOGNDQU-GPANFISMSA-N 0 3 324.465 2.101 20 30 DEEDHN CCOC(=O)C1(NC2CCC(C)(C#N)CC2)CCN(CC)CC1 ZINC001173591291 793774823 /nfs/dbraw/zinc/77/48/23/793774823.db2.gz XLLASXZSLJOLHQ-UHFFFAOYSA-N 0 3 321.465 2.466 20 30 DEEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173747461 793834616 /nfs/dbraw/zinc/83/46/16/793834616.db2.gz MZTKNZRPWQRDGB-IAGOWNOFSA-N 0 3 308.389 2.087 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1cn(CC)nn1 ZINC001174681985 794039452 /nfs/dbraw/zinc/03/94/52/794039452.db2.gz HVQFLJUKPRFLEB-CQSZACIVSA-N 0 3 321.469 2.275 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001174978240 794110244 /nfs/dbraw/zinc/11/02/44/794110244.db2.gz JADBGMLRBZGCQX-CABCVRRESA-N 0 3 321.469 2.497 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001175011351 794115690 /nfs/dbraw/zinc/11/56/90/794115690.db2.gz AXRKKROLTQVTAQ-UHFFFAOYSA-N 0 3 307.825 2.141 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110186122 794193128 /nfs/dbraw/zinc/19/31/28/794193128.db2.gz WNRMIIBCJNXVSM-YVSFHVDLSA-N 0 3 324.465 2.114 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C ZINC001103811255 794238767 /nfs/dbraw/zinc/23/87/67/794238767.db2.gz KGWKWNOCFCISOQ-IUODEOHRSA-N 0 3 314.857 2.240 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2nccnc2C)C1 ZINC001103978190 794335730 /nfs/dbraw/zinc/33/57/30/794335730.db2.gz YEBBKBLWHXHYNJ-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN CC[C@@H](C(=O)NC[C@@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001104031065 794351296 /nfs/dbraw/zinc/35/12/96/794351296.db2.gz OYILJMOPCLEMQM-LRDDRELGSA-N 0 3 320.412 2.202 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C ZINC001104068769 794367843 /nfs/dbraw/zinc/36/78/43/794367843.db2.gz IFQVHONTMZNMQC-TZMCWYRMSA-N 0 3 309.841 2.465 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001176215560 794378690 /nfs/dbraw/zinc/37/86/90/794378690.db2.gz XMGRWOXRYCCYJQ-UHFFFAOYSA-N 0 3 312.845 2.409 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C ZINC001104169347 794406728 /nfs/dbraw/zinc/40/67/28/794406728.db2.gz KBJXOCGJCIBQON-DGCLKSJQSA-N 0 3 310.829 2.158 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccco2)C1 ZINC001111565036 794433415 /nfs/dbraw/zinc/43/34/15/794433415.db2.gz RJNJPPUTTJKYSE-YOEHRIQHSA-N 0 3 304.390 2.067 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COc2ccccc2F)C1 ZINC001111983333 794540383 /nfs/dbraw/zinc/54/03/83/794540383.db2.gz IFXGZFBQXUSFDD-KSSFIOAISA-N 0 3 318.392 2.361 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1C(F)(F)F ZINC001112148375 794564985 /nfs/dbraw/zinc/56/49/85/794564985.db2.gz LJGISOOMNLSLKW-YNEHKIRRSA-N 0 3 316.367 2.425 20 30 DEEDHN CN(CCN(C)C(=O)Cc1ccnc(C#N)c1)Cc1ccccc1 ZINC001177668231 794721033 /nfs/dbraw/zinc/72/10/33/794721033.db2.gz MHZNUBRUYVSEFE-UHFFFAOYSA-N 0 3 322.412 2.086 20 30 DEEDHN COc1ccc(C#N)cc1CNC1(CNC(C)=O)CCCCC1 ZINC001115372404 794748319 /nfs/dbraw/zinc/74/83/19/794748319.db2.gz UFDIGSHIMJZADX-UHFFFAOYSA-N 0 3 315.417 2.495 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnns2)CCCCC1 ZINC001115425473 794767571 /nfs/dbraw/zinc/76/75/71/794767571.db2.gz KNWRDJAKGUETOI-UHFFFAOYSA-N 0 3 314.842 2.313 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)O)CCCC1 ZINC001110215188 794787260 /nfs/dbraw/zinc/78/72/60/794787260.db2.gz WYVKUSVPGFDWOO-FZKCQIBNSA-N 0 3 306.450 2.225 20 30 DEEDHN CC(C)n1ccc(CNCCCCCCNC(=O)[C@@H](C)C#N)n1 ZINC001178058378 794809854 /nfs/dbraw/zinc/80/98/54/794809854.db2.gz FSKCKDOSTMANCV-HNNXBMFYSA-N 0 3 319.453 2.390 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCC(=O)Nc2ccccc2)[C@@H]1C ZINC001178320494 794899418 /nfs/dbraw/zinc/89/94/18/794899418.db2.gz USTUKRDNDBSBRL-HOCLYGCPSA-N 0 3 315.417 2.170 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)N(C)C(C)C)[C@@H]1C ZINC001178795101 794995282 /nfs/dbraw/zinc/99/52/82/794995282.db2.gz JVPMNHTVRDCDNK-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179306920 795089957 /nfs/dbraw/zinc/08/99/57/795089957.db2.gz NABGEUVDZUBVML-LSDHHAIUSA-N 0 3 321.469 2.040 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001179384287 795110126 /nfs/dbraw/zinc/11/01/26/795110126.db2.gz IVGLQJCGYUFKSQ-DZKIICNBSA-N 0 3 304.438 2.101 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCC(C)C)[C@@H]1C ZINC001179451778 795116666 /nfs/dbraw/zinc/11/66/66/795116666.db2.gz HWMIWQPOZPMILC-JYJNAYRXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@@H](C)c2n[nH]c(C)n2)[C@@H]1C ZINC001179464293 795119918 /nfs/dbraw/zinc/11/99/18/795119918.db2.gz ZYRUGAHFOBEHLI-OBJOEFQTSA-N 0 3 305.426 2.109 20 30 DEEDHN CSCCC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001180838347 795377349 /nfs/dbraw/zinc/37/73/49/795377349.db2.gz LBHZXYQYYBRRGQ-CQSZACIVSA-N 0 3 321.421 2.141 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)COC2CCCC2)CC1 ZINC001150976754 795379840 /nfs/dbraw/zinc/37/98/40/795379840.db2.gz AGYDQEQOFCBFSD-UHFFFAOYSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2[nH]cnc2C)CCCCC1 ZINC001120264754 795431562 /nfs/dbraw/zinc/43/15/62/795431562.db2.gz LZWQVMLSVGNLPA-UHFFFAOYSA-N 0 3 310.829 2.493 20 30 DEEDHN C#CCn1cc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)cn1 ZINC001120511007 795475147 /nfs/dbraw/zinc/47/51/47/795475147.db2.gz CELNLINRDWUQPC-OAHLLOKOSA-N 0 3 307.756 2.132 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)OCC)C2 ZINC001120694144 795515340 /nfs/dbraw/zinc/51/53/40/795515340.db2.gz GVBSNGDJKCQSFF-PXWWDBQQSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001121001251 795574886 /nfs/dbraw/zinc/57/48/86/795574886.db2.gz AZRGFBJNLWEIOQ-MKUJRZGVSA-N 0 3 312.841 2.083 20 30 DEEDHN C#CCCCC(=O)NC1CC2(CC(NCc3conc3C)C2)C1 ZINC001121007890 795575888 /nfs/dbraw/zinc/57/58/88/795575888.db2.gz SADGCNFZAGDVQT-UHFFFAOYSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001110275501 795646174 /nfs/dbraw/zinc/64/61/74/795646174.db2.gz IVUHBRDJLMAYIJ-HZMVEIRTSA-N 0 3 304.434 2.267 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC001122256483 795740599 /nfs/dbraw/zinc/74/05/99/795740599.db2.gz SNVPJNGGTAZHCY-LLVKDONJSA-N 0 3 320.418 2.440 20 30 DEEDHN C=CC1(CC(=O)N2CCC3(CC2)CNCCO3)CCCCC1 ZINC001122314905 795746187 /nfs/dbraw/zinc/74/61/87/795746187.db2.gz LUVNECSUAKAGDX-UHFFFAOYSA-N 0 3 306.450 2.494 20 30 DEEDHN C[C@@H](Sc1ccc(F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC001122451745 795759713 /nfs/dbraw/zinc/75/97/13/795759713.db2.gz CPAHWRJOLRYQLN-NOZJJQNGSA-N 0 3 306.362 2.294 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001122451994 795759953 /nfs/dbraw/zinc/75/99/53/795759953.db2.gz GYSULKOZERTTQV-YRGRVCCFSA-N 0 3 316.357 2.158 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001182893294 795775650 /nfs/dbraw/zinc/77/56/50/795775650.db2.gz FWDYEEKTEQMTGA-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cncnc1C ZINC001122626349 795787430 /nfs/dbraw/zinc/78/74/30/795787430.db2.gz XMWHNTZAABLCBD-GFCCVEGCSA-N 0 3 324.340 2.145 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2cccs2)cc1F ZINC001122661773 795791454 /nfs/dbraw/zinc/79/14/54/795791454.db2.gz QIZCDFOATFJKOO-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1cncnc1C(F)(F)F ZINC001183039616 795793869 /nfs/dbraw/zinc/79/38/69/795793869.db2.gz UAJQYYARVLJYGT-UHFFFAOYSA-N 0 3 300.284 2.086 20 30 DEEDHN C#CCOCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC001123251702 795879955 /nfs/dbraw/zinc/87/99/55/795879955.db2.gz NHLNOSUVISGGOM-UHFFFAOYSA-N 0 3 315.413 2.482 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2CCc3ccccc3CC2)C1 ZINC001183845506 795943523 /nfs/dbraw/zinc/94/35/23/795943523.db2.gz NZESTEPJJJEJCV-LJQANCHMSA-N 0 3 310.441 2.395 20 30 DEEDHN CCC(CC)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001123827811 795983582 /nfs/dbraw/zinc/98/35/82/795983582.db2.gz NRGGJSDVNYCAAF-UHFFFAOYSA-N 0 3 303.406 2.209 20 30 DEEDHN C=CCOCCCC(=O)NCCNCc1cc(F)cc(F)c1 ZINC001125248443 796108607 /nfs/dbraw/zinc/10/86/07/796108607.db2.gz XCQHNQJGWIESPA-UHFFFAOYSA-N 0 3 312.360 2.153 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001185056709 796171077 /nfs/dbraw/zinc/17/10/77/796171077.db2.gz TWHWVWTZKAZULB-XJKSGUPXSA-N 0 3 302.422 2.078 20 30 DEEDHN OC[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)cc2)C[C@@H]1O ZINC001138335351 796199300 /nfs/dbraw/zinc/19/93/00/796199300.db2.gz NUIJWTOCHJBKPV-SFTDATJTSA-N 0 3 321.420 2.262 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@]3(CCCO3)C2)cc1OC ZINC001138343326 796201660 /nfs/dbraw/zinc/20/16/60/796201660.db2.gz JXELIBVUAALQJI-SFHVURJKSA-N 0 3 301.386 2.462 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@H](O)[C@@H](F)CC2)cc1OC ZINC001138343964 796201768 /nfs/dbraw/zinc/20/17/68/796201768.db2.gz TZGCUIBSUKORAY-GJZGRUSLSA-N 0 3 307.365 2.002 20 30 DEEDHN C#CCOc1ccc(CN2CCN(CCCCOC)CC2)cc1 ZINC001138560972 796236161 /nfs/dbraw/zinc/23/61/61/796236161.db2.gz SKNXNLSDQCOBJM-UHFFFAOYSA-N 0 3 316.445 2.243 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCCN(C(=O)C(C)C)C2)nn1 ZINC001185873317 796325177 /nfs/dbraw/zinc/32/51/77/796325177.db2.gz RROOJAFSMJNILE-MRXNPFEDSA-N 0 3 319.453 2.153 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001186274279 796383432 /nfs/dbraw/zinc/38/34/32/796383432.db2.gz BGHJRZNMWHIOSL-LJQANCHMSA-N 0 3 324.424 2.100 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cccnn1)[C@H]2CC ZINC001139969445 796452232 /nfs/dbraw/zinc/45/22/32/796452232.db2.gz YBCZPQIFGYLVDN-WMZOPIPTSA-N 0 3 314.433 2.398 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cnc3cc[nH]cc2-3)C1 ZINC001140806797 796577924 /nfs/dbraw/zinc/57/79/24/796577924.db2.gz SEPZVZLASFUVIO-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2c[nH]c3ccncc23)C1 ZINC001140806797 796577930 /nfs/dbraw/zinc/57/79/30/796577930.db2.gz SEPZVZLASFUVIO-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2sc(Cl)nc2Cl)C1 ZINC001187860241 796590396 /nfs/dbraw/zinc/59/03/96/796590396.db2.gz ROGYDQRLUZTANU-MRVPVSSYSA-N 0 3 318.229 2.277 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001187961086 796608349 /nfs/dbraw/zinc/60/83/49/796608349.db2.gz PCDAHESGWCVYPJ-GXTWGEPZSA-N 0 3 306.356 2.282 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(OC(C)C)cc2)C1 ZINC001188039432 796614375 /nfs/dbraw/zinc/61/43/75/796614375.db2.gz CIXCLGSYFIICMA-QGZVFWFLSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001188016266 796617357 /nfs/dbraw/zinc/61/73/57/796617357.db2.gz WEBHBKKZVHAKBB-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN CCCCCC(C)(C)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001188016298 796617955 /nfs/dbraw/zinc/61/79/55/796617955.db2.gz XUOHPNHNAYXMDZ-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCOC(=O)N1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001203086267 796619426 /nfs/dbraw/zinc/61/94/26/796619426.db2.gz PTYBFVQJODFLMN-UHFFFAOYSA-N 0 3 318.421 2.410 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)C(CC=C)CC=C)[C@@H]2C1 ZINC001188033330 796620274 /nfs/dbraw/zinc/62/02/74/796620274.db2.gz FZVVUMATBIVZSU-ZWKOTPCHSA-N 0 3 318.461 2.490 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC001188302127 796660831 /nfs/dbraw/zinc/66/08/31/796660831.db2.gz TVMUHWKFIJYOPY-XJKSGUPXSA-N 0 3 306.381 2.107 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(NC(C)=O)ccc1C ZINC000838624171 796671825 /nfs/dbraw/zinc/67/18/25/796671825.db2.gz KHUCNSLXHXMWMY-UHFFFAOYSA-N 0 3 316.405 2.030 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC001188455263 796673927 /nfs/dbraw/zinc/67/39/27/796673927.db2.gz SZXDUPKFDAKZNT-DLBZAZTESA-N 0 3 314.429 2.305 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2conc2C2CC2)CC1 ZINC001161213492 796677861 /nfs/dbraw/zinc/67/78/61/796677861.db2.gz JLZILVAQCKOCFU-UHFFFAOYSA-N 0 3 313.401 2.327 20 30 DEEDHN CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189002606 796754083 /nfs/dbraw/zinc/75/40/83/796754083.db2.gz INBISZUXNXCGKC-PBHICJAKSA-N 0 3 315.417 2.016 20 30 DEEDHN N#Cc1ccnc(N2CCN(Cc3cccc4nc[nH]c43)CC2)c1 ZINC001142689619 796762784 /nfs/dbraw/zinc/76/27/84/796762784.db2.gz KIFRZLHOVQLHRC-UHFFFAOYSA-N 0 3 318.384 2.152 20 30 DEEDHN C=CCN1C(=O)CCC12CCN(Cc1ccc3nccn3c1)CC2 ZINC001143020833 796795462 /nfs/dbraw/zinc/79/54/62/796795462.db2.gz CVRSBOUGKTUPJV-UHFFFAOYSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001189380552 796815061 /nfs/dbraw/zinc/81/50/61/796815061.db2.gz QEHNBVUBQXZVLY-KRWDZBQOSA-N 0 3 320.408 2.369 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001189575486 796851506 /nfs/dbraw/zinc/85/15/06/796851506.db2.gz UZOPHMSMVYPJRD-HNNXBMFYSA-N 0 3 306.406 2.245 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)Cc2ccc(F)cc2)s1 ZINC001149610302 796875742 /nfs/dbraw/zinc/87/57/42/796875742.db2.gz MUQTXSQFYFLOJA-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CN(C[C@@H]2CCCCO2)CCCO1 ZINC001149797451 796896642 /nfs/dbraw/zinc/89/66/42/796896642.db2.gz XAHQIZLYJCACBY-IRXDYDNUSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(CC(C)C)CC2)C1 ZINC001149836101 796899078 /nfs/dbraw/zinc/89/90/78/796899078.db2.gz YCUQGFDWVDOFJX-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189909414 796900797 /nfs/dbraw/zinc/90/07/97/796900797.db2.gz CLXRWYWPCIWZEU-SFHVURJKSA-N 0 3 309.413 2.394 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001189916815 796902710 /nfs/dbraw/zinc/90/27/10/796902710.db2.gz AKAUDZXINNFUTR-DOTOQJQBSA-N 0 3 322.474 2.416 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001149921636 796905921 /nfs/dbraw/zinc/90/59/21/796905921.db2.gz RINDKSIPLCADBD-DOTOQJQBSA-N 0 3 312.429 2.135 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001150235190 796930373 /nfs/dbraw/zinc/93/03/73/796930373.db2.gz ZFTSHTZZSHKVKW-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CN(CCCF)CCCO2)CCC1 ZINC001150265590 796931906 /nfs/dbraw/zinc/93/19/06/796931906.db2.gz BSAYGGUKBILNDE-OAHLLOKOSA-N 0 3 312.429 2.300 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(CC=C)CC=C)C1 ZINC001190354068 796985519 /nfs/dbraw/zinc/98/55/19/796985519.db2.gz GTIZQIOKAOHGFO-KRWDZBQOSA-N 0 3 306.450 2.490 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](CC)SC)CC1 ZINC001151079602 797009134 /nfs/dbraw/zinc/00/91/34/797009134.db2.gz BTMYOGGLOKPYSA-AWEZNQCLSA-N 0 3 314.495 2.301 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2cc(F)c[nH]2)CC1 ZINC001151216094 797021943 /nfs/dbraw/zinc/02/19/43/797021943.db2.gz DTBNSXHUMPBHBI-UHFFFAOYSA-N 0 3 323.412 2.331 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](C)CC(F)F)CC1 ZINC001151216597 797022659 /nfs/dbraw/zinc/02/26/59/797022659.db2.gz WAIMYAMYPWRRRI-CYBMUJFWSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](N(C)CCOC(C)C)C1 ZINC001190675564 797055538 /nfs/dbraw/zinc/05/55/38/797055538.db2.gz QQUQQQKTXYCRGY-MRXNPFEDSA-N 0 3 319.449 2.245 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccn2CC=C)C1 ZINC001190675630 797056015 /nfs/dbraw/zinc/05/60/15/797056015.db2.gz SRJZIHWWJHBSDB-MRXNPFEDSA-N 0 3 317.433 2.023 20 30 DEEDHN C=CCC1(S(=O)(=O)N2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001190796271 797080027 /nfs/dbraw/zinc/08/00/27/797080027.db2.gz DHUILOIDXMNIRO-OAHLLOKOSA-N 0 3 312.479 2.375 20 30 DEEDHN Cc1ccncc1CNCCNC(=O)CC#Cc1ccccc1 ZINC001151952762 797123241 /nfs/dbraw/zinc/12/32/41/797123241.db2.gz FYWGNIOSPPCEHK-UHFFFAOYSA-N 0 3 307.397 2.038 20 30 DEEDHN Cc1ccc(C)n1[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001152347867 797175035 /nfs/dbraw/zinc/17/50/35/797175035.db2.gz IPEBFECURXVFPD-INIZCTEOSA-N 0 3 324.428 2.444 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)CCOCC(C)C)C1 ZINC001191859626 797268256 /nfs/dbraw/zinc/26/82/56/797268256.db2.gz OKMYGHXGSGDBCF-QGZVFWFLSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC001191889102 797281360 /nfs/dbraw/zinc/28/13/60/797281360.db2.gz ATUGTIPYFLLNCU-RDJZCZTQSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCCOCC(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001153081410 797282104 /nfs/dbraw/zinc/28/21/04/797282104.db2.gz RKCQAKDPLGFYIP-UHFFFAOYSA-N 0 3 319.449 2.312 20 30 DEEDHN CCc1ncc(C(=O)NCCNCc2ccc(C#N)cc2)s1 ZINC001153209721 797302141 /nfs/dbraw/zinc/30/21/41/797302141.db2.gz CFMUQADGYLEKBW-UHFFFAOYSA-N 0 3 314.414 2.097 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC001192059677 797314759 /nfs/dbraw/zinc/31/47/59/797314759.db2.gz IXKBCDSIDUVIQC-INIZCTEOSA-N 0 3 320.408 2.483 20 30 DEEDHN CN(C)c1ccccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001153414156 797336002 /nfs/dbraw/zinc/33/60/02/797336002.db2.gz OKIPJIXAPXKZBB-UHFFFAOYSA-N 0 3 322.412 2.144 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001192241061 797341676 /nfs/dbraw/zinc/34/16/76/797341676.db2.gz NBVCZMQRBQHNFO-BRWVUGGUSA-N 0 3 321.465 2.181 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](N(C)CCOCC3CC3)C2)C1 ZINC001192256996 797344378 /nfs/dbraw/zinc/34/43/78/797344378.db2.gz LJOLSDWBINCPED-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 ZINC001192313099 797359336 /nfs/dbraw/zinc/35/93/36/797359336.db2.gz NXOZHJUEIZKSLF-RBSFLKMASA-N 0 3 316.511 2.260 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccn(C2CCCC2)n1 ZINC001153647292 797369991 /nfs/dbraw/zinc/36/99/91/797369991.db2.gz ZQRFPNLMFIFJQA-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153823888 797404774 /nfs/dbraw/zinc/40/47/74/797404774.db2.gz CKVIRAMPEKPGJK-CYBMUJFWSA-N 0 3 301.862 2.050 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nccc2cccnc21 ZINC001153864223 797413102 /nfs/dbraw/zinc/41/31/02/797413102.db2.gz JLFUJEVCKDYHLF-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccnc(CCC)c1 ZINC001153907114 797422604 /nfs/dbraw/zinc/42/26/04/797422604.db2.gz OBGVQRWHVRWRFE-OAHLLOKOSA-N 0 3 301.434 2.498 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C)noc1C(F)F ZINC001153971122 797433614 /nfs/dbraw/zinc/43/36/14/797433614.db2.gz NYAOZKSQHYSIAV-SNVBAGLBSA-N 0 3 313.348 2.384 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cccc2cnccc21 ZINC001154004673 797441190 /nfs/dbraw/zinc/44/11/90/797441190.db2.gz AGGZJIHXWJYTAV-OAHLLOKOSA-N 0 3 309.413 2.237 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC001192802115 797450410 /nfs/dbraw/zinc/45/04/10/797450410.db2.gz UTCWVSWAAITUGS-CVEARBPZSA-N 0 3 320.433 2.194 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cncc(Cl)c2)C1 ZINC001192838062 797460025 /nfs/dbraw/zinc/46/00/25/797460025.db2.gz VSZDIGHVUQNBMI-OAHLLOKOSA-N 0 3 323.824 2.084 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1O ZINC001193232020 797527006 /nfs/dbraw/zinc/52/70/06/797527006.db2.gz QLFZOKHXIMNIPY-IAGOWNOFSA-N 0 3 308.466 2.352 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1O ZINC001193313091 797551620 /nfs/dbraw/zinc/55/16/20/797551620.db2.gz ZLUBSGAPIRQMFR-ZIAGYGMSSA-N 0 3 316.873 2.363 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001154541233 797558619 /nfs/dbraw/zinc/55/86/19/797558619.db2.gz ZXGCHWAIVZHZJY-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001193551153 797590500 /nfs/dbraw/zinc/59/05/00/797590500.db2.gz NHNGVWDRGGJYBR-SJORKVTESA-N 0 3 319.449 2.175 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2sccc2OC)C1 ZINC001193621226 797594065 /nfs/dbraw/zinc/59/40/65/797594065.db2.gz DXDMMLPZHFKIMR-ZDUSSCGKSA-N 0 3 324.446 2.106 20 30 DEEDHN CC(C)(C)OC(=O)C(C#N)c1nccnc1NCC(C)(F)F ZINC001154860112 797627663 /nfs/dbraw/zinc/62/76/63/797627663.db2.gz DKGYUMBLVKZKSE-VIFPVBQESA-N 0 3 312.320 2.493 20 30 DEEDHN Cc1ncsc1C(=O)NCCCNCc1ccccc1C#N ZINC001155010366 797660978 /nfs/dbraw/zinc/66/09/78/797660978.db2.gz YRLIFFVPZUSVFF-UHFFFAOYSA-N 0 3 314.414 2.233 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CN(CC)c2ccccc2)C1 ZINC001194199243 797691724 /nfs/dbraw/zinc/69/17/24/797691724.db2.gz BLMWACCNYFYFDK-KRWDZBQOSA-N 0 3 301.434 2.232 20 30 DEEDHN C=CCOC(=O)N1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001194300608 797704641 /nfs/dbraw/zinc/70/46/41/797704641.db2.gz ZVHUPZUWUKVSPK-CVEARBPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001194381185 797719559 /nfs/dbraw/zinc/71/95/59/797719559.db2.gz CRHAIQYVSHAJNI-KRWDZBQOSA-N 0 3 320.408 2.451 20 30 DEEDHN CCO[C@@H](CC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001155336986 797737070 /nfs/dbraw/zinc/73/70/70/797737070.db2.gz YPRVSKAFVAQYRJ-INIZCTEOSA-N 0 3 321.396 2.108 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001194725971 797770103 /nfs/dbraw/zinc/77/01/03/797770103.db2.gz SUGTUTNPTRKYJE-UHFFFAOYSA-N 0 3 317.433 2.214 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C1(c2cccc(OC)c2)CC1 ZINC001155520859 797778552 /nfs/dbraw/zinc/77/85/52/797778552.db2.gz DRZHMLPLHYFBEL-OAHLLOKOSA-N 0 3 314.429 2.187 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001194809191 797780152 /nfs/dbraw/zinc/78/01/52/797780152.db2.gz SWIPNYCCTDPWGO-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001110463242 797795327 /nfs/dbraw/zinc/79/53/27/797795327.db2.gz YEMVDGQXVYIIAQ-XDNAFOTISA-N 0 3 318.461 2.471 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccccc1Cl ZINC001155580251 797795628 /nfs/dbraw/zinc/79/56/28/797795628.db2.gz YAIWBYVSVASYHU-UHFFFAOYSA-N 0 3 323.824 2.341 20 30 DEEDHN N#Cc1cnc(N[C@H]2CCCC[C@@]23CNCCO3)c(Cl)c1 ZINC001155824499 797856604 /nfs/dbraw/zinc/85/66/04/797856604.db2.gz SVAFGZSDILSECO-DZGCQCFKSA-N 0 3 306.797 2.320 20 30 DEEDHN C=CCOCC(=O)N1CCCN(Cc2ccccc2CC)CC1 ZINC001195314175 797879916 /nfs/dbraw/zinc/87/99/16/797879916.db2.gz JEVAYWYIKANRCG-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1snnc1C(C)C ZINC001155967731 797892328 /nfs/dbraw/zinc/89/23/28/797892328.db2.gz BFPPJCIJXUSKMS-GFCCVEGCSA-N 0 3 308.451 2.125 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ncc(Cl)cc1Cl ZINC001156000306 797900987 /nfs/dbraw/zinc/90/09/87/797900987.db2.gz MNAGSZPQJSRQJH-SNVBAGLBSA-N 0 3 314.216 2.462 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCc2ccc(C)cc2)C[C@H]1O ZINC001195733052 797945378 /nfs/dbraw/zinc/94/53/78/797945378.db2.gz XALLZBVBOYIBNZ-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C#CCOCCC(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001195798141 797965246 /nfs/dbraw/zinc/96/52/46/797965246.db2.gz BIWPMWPRSQDKSK-KRWDZBQOSA-N 0 3 314.429 2.322 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(C)cc1OC ZINC001156530461 798022684 /nfs/dbraw/zinc/02/26/84/798022684.db2.gz PGXVXJYCPLHOCJ-OAHLLOKOSA-N 0 3 302.418 2.467 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001196446241 798054529 /nfs/dbraw/zinc/05/45/29/798054529.db2.gz PHWNUVJAAGDTJK-ARFHVFGLSA-N 0 3 306.450 2.084 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001196609173 798079001 /nfs/dbraw/zinc/07/90/01/798079001.db2.gz ULXMCAAOBDLFII-USXIJHARSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2csnn2)CC1 ZINC001196673824 798091820 /nfs/dbraw/zinc/09/18/20/798091820.db2.gz LYHLLVVDXBLBSM-UHFFFAOYSA-N 0 3 308.451 2.432 20 30 DEEDHN N#Cc1cc(C(=O)NCCCNCc2cccc(F)c2F)c[nH]1 ZINC001156841925 798093549 /nfs/dbraw/zinc/09/35/49/798093549.db2.gz WKUZUBLOHSINCA-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN C=CCCCC(=O)N1CCCN(CCCO[C@H]2CCOC2)CC1 ZINC001197000001 798135158 /nfs/dbraw/zinc/13/51/58/798135158.db2.gz HQGPRGKRLUHQEN-KRWDZBQOSA-N 0 3 324.465 2.073 20 30 DEEDHN C=C(Cl)CN1CCCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001197180866 798152963 /nfs/dbraw/zinc/15/29/63/798152963.db2.gz PAWQQPYKUCFBIQ-UHFFFAOYSA-N 0 3 315.889 2.251 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(Cl)cc2c1OCC2 ZINC001157178260 798157349 /nfs/dbraw/zinc/15/73/49/798157349.db2.gz ZRJLENZNSVXCAO-GFCCVEGCSA-N 0 3 320.820 2.348 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001157196341 798160751 /nfs/dbraw/zinc/16/07/51/798160751.db2.gz MCGZSZBNMXSSEP-IUODEOHRSA-N 0 3 304.821 2.440 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001157529351 798222746 /nfs/dbraw/zinc/22/27/46/798222746.db2.gz YHVAWVSTLPJKOH-MRXNPFEDSA-N 0 3 306.406 2.409 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN(C)CCn1cccn1 ZINC001157661848 798252685 /nfs/dbraw/zinc/25/26/85/798252685.db2.gz LEKCTWGGZYHPQT-MRXNPFEDSA-N 0 3 304.438 2.162 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2c(C)n(C)nc2Cl)CC1 ZINC001197995024 798269943 /nfs/dbraw/zinc/26/99/43/798269943.db2.gz IBPKIPPHHMLRNF-UHFFFAOYSA-N 0 3 324.856 2.496 20 30 DEEDHN C=CCNC(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC001157764631 798274517 /nfs/dbraw/zinc/27/45/17/798274517.db2.gz CHFZBZLWAHQTDN-KRWDZBQOSA-N 0 3 322.412 2.148 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001198380852 798325063 /nfs/dbraw/zinc/32/50/63/798325063.db2.gz XNIINFVQWGJWBE-CGTJXYLNSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc2c([nH]1)CCOC2 ZINC001158065111 798336509 /nfs/dbraw/zinc/33/65/09/798336509.db2.gz GKEPOKWRVWNUCD-OAHLLOKOSA-N 0 3 317.433 2.200 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@@H](C)COC)c1ccccc1OC ZINC001198605364 798365358 /nfs/dbraw/zinc/36/53/58/798365358.db2.gz GDGDWIQZTOAMOU-GOEBONIOSA-N 0 3 320.433 2.301 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(CC)nnc1C ZINC001158290096 798377016 /nfs/dbraw/zinc/37/70/16/798377016.db2.gz XBYUIAJEOBHJNW-MRXNPFEDSA-N 0 3 316.449 2.460 20 30 DEEDHN C=CC[C@H](C(=O)N[C@@H]1CN(CC(C)C)C[C@H]1O)c1ccccc1 ZINC001198879963 798412368 /nfs/dbraw/zinc/41/23/68/798412368.db2.gz ISIAXFVMWRRTRO-RCCFBDPRSA-N 0 3 316.445 2.164 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)Oc1cccnc1 ZINC001158480599 798413889 /nfs/dbraw/zinc/41/38/89/798413889.db2.gz OREAFWRESNXQSP-JKSUJKDBSA-N 0 3 317.433 2.348 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001199001514 798428786 /nfs/dbraw/zinc/42/87/86/798428786.db2.gz GNLQGMMDKLFLRA-GDBMZVCRSA-N 0 3 320.433 2.442 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(F)cccc1OC ZINC001158618063 798438469 /nfs/dbraw/zinc/43/84/69/798438469.db2.gz MCPOQVGJFPLEKY-UHFFFAOYSA-N 0 3 300.761 2.296 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1nccs1 ZINC001158640427 798442228 /nfs/dbraw/zinc/44/22/28/798442228.db2.gz UVBYEURJDSGZRN-CQSZACIVSA-N 0 3 323.462 2.272 20 30 DEEDHN N#Cc1cc2c(nc1N1CCCc3ccc(CN)nc31)CCC2 ZINC001158655520 798445488 /nfs/dbraw/zinc/44/54/88/798445488.db2.gz GDEFENQNYQLBHS-UHFFFAOYSA-N 0 3 305.385 2.380 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCC(C)C)C[C@H]2O)CCCC1 ZINC001199559833 798499298 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C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001209147341 801136870 /nfs/dbraw/zinc/13/68/70/801136870.db2.gz WCZFYDNVDRXRKW-CABCVRRESA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCN1CCN(c2ncc(Br)cn2)CC1 ZINC001209162575 801139766 /nfs/dbraw/zinc/13/97/66/801139766.db2.gz JHOVYGLVMDHXOS-UHFFFAOYSA-N 0 3 311.227 2.327 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCC(C)C)C1 ZINC001209345926 801173280 /nfs/dbraw/zinc/17/32/80/801173280.db2.gz PCNSMRSBXYIXEC-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001209374020 801178695 /nfs/dbraw/zinc/17/86/95/801178695.db2.gz JBQMIQVDECLISE-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C(C)(C)C(F)F)CC1 ZINC001229129443 801227990 /nfs/dbraw/zinc/22/79/90/801227990.db2.gz CHFZQWDYSHJRSL-UHFFFAOYSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001229500958 801286060 /nfs/dbraw/zinc/28/60/60/801286060.db2.gz WQUADNGEFKUWMD-OAHLLOKOSA-N 0 3 320.433 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C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001215700734 801895032 /nfs/dbraw/zinc/89/50/32/801895032.db2.gz GVJKEIKMWHWGCP-CZUORRHYSA-N 0 3 318.465 2.267 20 30 DEEDHN N#Cc1ccnc(CN2CC3(C2)CCN(Cc2cccnc2)C3)c1 ZINC001232476702 801896223 /nfs/dbraw/zinc/89/62/23/801896223.db2.gz WPODNXXMTOQBIR-UHFFFAOYSA-N 0 3 319.412 2.056 20 30 DEEDHN N#Cc1cc(CN2CCN3CC[C@H]3C2)ccc1Br ZINC001232897692 801980090 /nfs/dbraw/zinc/98/00/90/801980090.db2.gz QZSAYXWMVSBTQN-ZDUSSCGKSA-N 0 3 306.207 2.211 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001216931266 802038663 /nfs/dbraw/zinc/03/86/63/802038663.db2.gz XKKKELKHFJZIAD-JKIFEVAISA-N 0 3 320.408 2.353 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC001233267511 802058495 /nfs/dbraw/zinc/05/84/95/802058495.db2.gz WDOIYHCXSYVYMN-CYBMUJFWSA-N 0 3 307.419 2.184 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccoc3C)[C@H]2C1 ZINC001217248746 802061130 /nfs/dbraw/zinc/06/11/30/802061130.db2.gz KZXIUMUOZYUHRH-JKSUJKDBSA-N 0 3 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C=CCCCN1C[C@@H](NC(=O)c2cscc2Cl)[C@@H](O)C1 ZINC001219849846 802382930 /nfs/dbraw/zinc/38/29/30/802382930.db2.gz TWFVGCCHZBTYCA-OLZOCXBDSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)CC(F)F)[C@@H](O)C1 ZINC001220029800 802401703 /nfs/dbraw/zinc/40/17/03/802401703.db2.gz MPZMGDLQYGHUGT-MCIONIFRSA-N 0 3 318.408 2.185 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@@H]1O ZINC001220201435 802425094 /nfs/dbraw/zinc/42/50/94/802425094.db2.gz PWXDQNIBVUQVCV-BIAFVLJASA-N 0 3 308.466 2.496 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCO[C@@H]1CCOC1 ZINC001234624845 802434485 /nfs/dbraw/zinc/43/44/85/802434485.db2.gz GPSJYRNFWBVQFO-IAGOWNOFSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC001220547844 802471938 /nfs/dbraw/zinc/47/19/38/802471938.db2.gz JXUHCSVVJSBOTJ-DFBGVHRSSA-N 0 3 308.447 2.186 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCC(C)C)C[C@@H]2O)CCCCC1 ZINC001221129623 802531981 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C=CCCC(=O)NCC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC001222609678 802716341 /nfs/dbraw/zinc/71/63/41/802716341.db2.gz PKVMTJMRGHQGES-CYBMUJFWSA-N 0 3 322.371 2.094 20 30 DEEDHN N#Cc1ccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)cn1 ZINC001222966111 802753471 /nfs/dbraw/zinc/75/34/71/802753471.db2.gz JYGUARNRWACINS-CALCHBBNSA-N 0 3 301.390 2.113 20 30 DEEDHN Cc1noc(C)c1CN1CCC(CNC(=O)C#CC(C)C)CC1 ZINC001223096723 802765572 /nfs/dbraw/zinc/76/55/72/802765572.db2.gz MLJNSUAJBCSUJB-UHFFFAOYSA-N 0 3 317.433 2.279 20 30 DEEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CSC ZINC001224647244 802889618 /nfs/dbraw/zinc/88/96/18/802889618.db2.gz NXWZPWYQGSTCLY-GHMZBOCLSA-N 0 3 321.284 2.275 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC001224712707 802897033 /nfs/dbraw/zinc/89/70/33/802897033.db2.gz KQWALIUITGUFOS-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COc2ccccc2C)CC1 ZINC001225310520 802953859 /nfs/dbraw/zinc/95/38/59/802953859.db2.gz QMCZABIUAVRDGN-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001226017355 803042088 /nfs/dbraw/zinc/04/20/88/803042088.db2.gz DXRPELACWHGXHE-UHFFFAOYSA-N 0 3 311.813 2.065 20 30 DEEDHN C=CCOCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001226588969 803128910 /nfs/dbraw/zinc/12/89/10/803128910.db2.gz FUYBUMFVIGSXBQ-TWGQIWQCSA-N 0 3 314.429 2.483 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC001226617318 803132680 /nfs/dbraw/zinc/13/26/80/803132680.db2.gz FIEOHYVVZLVHSM-CQSZACIVSA-N 0 3 322.412 2.475 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(C)ccc3C#N)C[C@H]1N2C ZINC001226755319 803153326 /nfs/dbraw/zinc/15/33/26/803153326.db2.gz ABMKAZBBHOXDJL-LISAXSMJSA-N 0 3 314.385 2.412 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001227113555 803203553 /nfs/dbraw/zinc/20/35/53/803203553.db2.gz DSBWHUUNOHGRFC-IBGZPJMESA-N 0 3 316.445 2.403 20 30 DEEDHN C[C@H]1CC[C@H](CN2CCC(NC(=O)C#CC(C)(C)C)CC2)O1 ZINC001227281375 803226293 /nfs/dbraw/zinc/22/62/93/803226293.db2.gz SVCSCCYYWBCSIN-GOEBONIOSA-N 0 3 306.450 2.184 20 30 DEEDHN COc1ccc(CN2CCC(NC(=O)C#CC3CC3)CC2)cc1 ZINC001227290462 803227277 /nfs/dbraw/zinc/22/72/77/803227277.db2.gz XWGHIEZWJVAQJC-UHFFFAOYSA-N 0 3 312.413 2.189 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CC2CC(F)(F)C2)CC1 ZINC001228033000 803309714 /nfs/dbraw/zinc/30/97/14/803309714.db2.gz PXGKKLHLVHVXML-UHFFFAOYSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001228829331 803418699 /nfs/dbraw/zinc/41/86/99/803418699.db2.gz VGCOFZCPSIWQOL-ZIAGYGMSSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC2(CCOCC2)CC1 ZINC001574852033 1166683940 /nfs/dbraw/zinc/68/39/40/1166683940.db2.gz NSOYZWPPCNZFJX-ZDUSSCGKSA-N 0 3 300.830 2.312 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC001334146121 1150212040 /nfs/dbraw/zinc/21/20/40/1150212040.db2.gz WSJFCEOSSSDMJT-WFASDCNBSA-N 0 3 317.364 2.006 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001418316411 1167571259 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C#CCCCC(=O)N[C@H]1CCN(CCOCC2CC2)CC1(C)C ZINC001328081114 1148715375 /nfs/dbraw/zinc/71/53/75/1148715375.db2.gz JIMIBJXCVXXRIE-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCOCC(F)(F)F)C(C)(C)C1 ZINC001328080401 1148714999 /nfs/dbraw/zinc/71/49/99/1148714999.db2.gz GWIZXGWQPPWKFI-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN CC[C@H](F)CN(C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001370289188 1149480359 /nfs/dbraw/zinc/48/03/59/1149480359.db2.gz HPQXGYCGBYNZMS-ZFWWWQNUSA-N 0 3 320.412 2.418 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cc2cnn(CC)c2)CCCC1 ZINC001419617900 1168689629 /nfs/dbraw/zinc/68/96/29/1168689629.db2.gz ANNJLJCLTLZSPV-UHFFFAOYSA-N 0 3 324.856 2.217 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(OCC)c(OC)c1 ZINC001331631976 1149565843 /nfs/dbraw/zinc/56/58/43/1149565843.db2.gz OXRGMRFJPAUSSE-AWEZNQCLSA-N 0 3 318.417 2.167 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COc1ccc(C)c(C)c1 ZINC001331632388 1149566107 /nfs/dbraw/zinc/56/61/07/1149566107.db2.gz QWZDUAUDHJAXBD-MRXNPFEDSA-N 0 3 302.418 2.142 20 30 DEEDHN C=C(C)C[N@@H+](C)CCCN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001327226219 1148400796 /nfs/dbraw/zinc/40/07/96/1148400796.db2.gz YDZFQQPGXFZUMC-UHFFFAOYSA-N 0 3 318.421 2.030 20 30 DEEDHN C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001327226219 1148400801 /nfs/dbraw/zinc/40/08/01/1148400801.db2.gz YDZFQQPGXFZUMC-UHFFFAOYSA-N 0 3 318.421 2.030 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC001574971165 1069314408 /nfs/dbraw/zinc/31/44/08/1069314408.db2.gz BEUIUYHYALBQFX-MRXNPFEDSA-N 0 3 311.385 2.049 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NC/C=C\c2ccccc2)C1 ZINC001331787993 1149683374 /nfs/dbraw/zinc/68/33/74/1149683374.db2.gz NYABJZRAVHQCKA-SKHCZCESSA-N 0 3 314.429 2.123 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)Cc1ccc([Si](C)(C)C)cc1 ZINC001346548923 1151003091 /nfs/dbraw/zinc/00/30/91/1151003091.db2.gz QSXRAFPHKANJSP-OAHLLOKOSA-N 0 3 311.461 2.384 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2ccn(CC)n2)C1 ZINC001328400535 1148786504 /nfs/dbraw/zinc/78/65/04/1148786504.db2.gz XQMLKPAEAPDGJS-AWEZNQCLSA-N 0 3 304.438 2.244 20 30 DEEDHN CN(C)CC#CCNC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001350836192 1151409169 /nfs/dbraw/zinc/40/91/69/1151409169.db2.gz JAJHFACCTXYTHT-UHFFFAOYSA-N 0 3 300.736 2.113 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001523229940 1069599325 /nfs/dbraw/zinc/59/93/25/1069599325.db2.gz ALXIEQZWGHSLEC-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)CN(CC)CC ZINC001523802356 1069722579 /nfs/dbraw/zinc/72/25/79/1069722579.db2.gz GUVVEEWUNTUFRB-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001602703312 1069732444 /nfs/dbraw/zinc/73/24/44/1069732444.db2.gz NSAXNNQSELSZLW-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001602703312 1069732455 /nfs/dbraw/zinc/73/24/55/1069732455.db2.gz NSAXNNQSELSZLW-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001602703312 1069732465 /nfs/dbraw/zinc/73/24/65/1069732465.db2.gz NSAXNNQSELSZLW-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001602703312 1069732478 /nfs/dbraw/zinc/73/24/78/1069732478.db2.gz NSAXNNQSELSZLW-LLVKDONJSA-N 0 3 301.781 2.365 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001328559112 1148810140 /nfs/dbraw/zinc/81/01/40/1148810140.db2.gz RVUXROJQDVXGSS-QGZVFWFLSA-N 0 3 322.493 2.415 20 30 DEEDHN CC1(C#N)CCC([NH2+][C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001603736161 1070070639 /nfs/dbraw/zinc/07/06/39/1070070639.db2.gz GBUNWKUFDMPDMS-UPTPFMHGSA-N 0 3 322.416 2.396 20 30 DEEDHN CC1(C#N)CCC([NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001603736161 1070070657 /nfs/dbraw/zinc/07/06/57/1070070657.db2.gz GBUNWKUFDMPDMS-UPTPFMHGSA-N 0 3 322.416 2.396 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001526081994 1070217895 /nfs/dbraw/zinc/21/78/95/1070217895.db2.gz GWQXNQVTDBWAJQ-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1cnccc1C ZINC001328720584 1148828224 /nfs/dbraw/zinc/82/82/24/1148828224.db2.gz XEZVGOALCFODPP-INIZCTEOSA-N 0 3 317.433 2.129 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2n[nH]cc2F)CCCCC1 ZINC001369052295 1148835623 /nfs/dbraw/zinc/83/56/23/1148835623.db2.gz QRYFKBXVAJKQHA-UHFFFAOYSA-N 0 3 314.792 2.324 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(CCOC2CCCCCC2)C1 ZINC001369074256 1148843389 /nfs/dbraw/zinc/84/33/89/1148843389.db2.gz IINTVYTVNAHRKY-LSDHHAIUSA-N 0 3 321.465 2.322 20 30 DEEDHN CN1CCC2(CCN2C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC001607352984 1071420541 /nfs/dbraw/zinc/42/05/41/1071420541.db2.gz PKUMBIZAHMDNDZ-DAXSKMNVSA-N 0 3 316.376 2.105 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001328998891 1148856314 /nfs/dbraw/zinc/85/63/14/1148856314.db2.gz VPRWJZQNLINSOE-NWDGAFQWSA-N 0 3 307.442 2.051 20 30 DEEDHN C#CCN(C(=O)CCC1CCC1)C1CCN(CCOC)CC1 ZINC001500032520 1058442710 /nfs/dbraw/zinc/44/27/10/1058442710.db2.gz FFOGWWQYJHDLTA-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C(=O)[C@@H](F)CC)C1CCN(CCOC(C)C)CC1 ZINC001500042848 1058447677 /nfs/dbraw/zinc/44/76/77/1058447677.db2.gz AVRJIHADZDUJAG-INIZCTEOSA-N 0 3 312.429 2.086 20 30 DEEDHN C#CCNC[C@@H](NC(=O)[C@@H](C)C#N)c1ccc2ccccc2c1 ZINC001500060248 1058460337 /nfs/dbraw/zinc/46/03/37/1058460337.db2.gz NXWZLLWINRSWCV-KBXCAEBGSA-N 0 3 305.381 2.380 20 30 DEEDHN CC(C)C#CC(=O)N[C@]1(C)CCN(CCOCCC(C)C)C1 ZINC001500213827 1058606330 /nfs/dbraw/zinc/60/63/30/1058606330.db2.gz BPPURXDRCDQLMU-GOSISDBHSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001500276337 1058660400 /nfs/dbraw/zinc/66/04/00/1058660400.db2.gz ZDQSORNGJBFBIH-WBVHZDCISA-N 0 3 306.450 2.350 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@](C)(CNCc2nccn2C)C1 ZINC001500350265 1058715356 /nfs/dbraw/zinc/71/53/56/1058715356.db2.gz RLSPYWDIQFZQKR-SFHVURJKSA-N 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/nfs/dbraw/zinc/00/64/91/1059006491.db2.gz LWULXXRLVUMAJT-CQSZACIVSA-N 0 3 314.838 2.063 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001500686742 1059010644 /nfs/dbraw/zinc/01/06/44/1059010644.db2.gz KNTFECYGKJVKPR-GOSISDBHSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ncccc2CC)C1 ZINC001369161772 1148858611 /nfs/dbraw/zinc/85/86/11/1148858611.db2.gz GFIRKCXWPSBJFW-MQMHXKEQSA-N 0 3 307.825 2.495 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001467727933 1059690645 /nfs/dbraw/zinc/69/06/45/1059690645.db2.gz XDHSVHBMKQJBPC-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001467727451 1059691550 /nfs/dbraw/zinc/69/15/50/1059691550.db2.gz HCPDEWMUZAAYRC-UHFFFAOYSA-N 0 3 305.378 2.483 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)CCC1 ZINC001501950057 1059801341 /nfs/dbraw/zinc/80/13/41/1059801341.db2.gz CULBJHLSCKVJNX-ZIAGYGMSSA-N 0 3 302.443 2.422 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CCC2CCCCCC2)CCO1 ZINC001502064303 1059905568 /nfs/dbraw/zinc/90/55/68/1059905568.db2.gz IGUNGDFDUUYSKM-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001502132618 1059979524 /nfs/dbraw/zinc/97/95/24/1059979524.db2.gz WHORVOUGHVLIGW-IRXDYDNUSA-N 0 3 306.450 2.209 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001502543970 1060173036 /nfs/dbraw/zinc/17/30/36/1060173036.db2.gz QRNOETXBTVVLLK-LJQANCHMSA-N 0 3 318.461 2.307 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC1CCCCC1 ZINC001329043402 1148860493 /nfs/dbraw/zinc/86/04/93/1148860493.db2.gz BNLSURCUKLZAEZ-CABCVRRESA-N 0 3 323.481 2.274 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCC(=O)N(CC)CC)C(C)(C)C1 ZINC001502837089 1060346791 /nfs/dbraw/zinc/34/67/91/1060346791.db2.gz XFRFPIBBNGMQJU-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001502933156 1060399674 /nfs/dbraw/zinc/39/96/74/1060399674.db2.gz JMTHZFIGANMTCT-KBPBESRZSA-N 0 3 313.873 2.192 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCn2cnc3ccccc32)C[C@H]1C ZINC001502954547 1060408450 /nfs/dbraw/zinc/40/84/50/1060408450.db2.gz YQEKAHRTWMFXHF-HZPDHXFCSA-N 0 3 324.428 2.029 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc4ccsc4[nH]3)C2)C1 ZINC001472131090 1060425216 /nfs/dbraw/zinc/42/52/16/1060425216.db2.gz MEFJGAUXCPVJPY-UHFFFAOYSA-N 0 3 313.426 2.401 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@H](C)NC(=O)C(F)F ZINC001505540768 1060689551 /nfs/dbraw/zinc/68/95/51/1060689551.db2.gz HIICPABAWMRASM-QWRGUYRKSA-N 0 3 314.763 2.439 20 30 DEEDHN COCCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001505573560 1060727518 /nfs/dbraw/zinc/72/75/18/1060727518.db2.gz CGVJNFVYRJGHRA-DLBZAZTESA-N 0 3 316.445 2.338 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2CCOCC2)C1 ZINC001474177434 1060828224 /nfs/dbraw/zinc/82/82/24/1060828224.db2.gz LAYMFPGICLWCDU-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)Cc1ccco1 ZINC001505713105 1060893031 /nfs/dbraw/zinc/89/30/31/1060893031.db2.gz JNVDRGLWNBNRLN-CVEARBPZSA-N 0 3 310.397 2.357 20 30 DEEDHN C#CCCCC(=O)N(C)CC(C)(C)CN[C@H](C)c1cnccn1 ZINC001505809995 1060987369 /nfs/dbraw/zinc/98/73/69/1060987369.db2.gz XGBJOTMYCGUTTG-OAHLLOKOSA-N 0 3 316.449 2.415 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cccc(C)c2F)[C@@H](O)C1 ZINC001479129683 1061285986 /nfs/dbraw/zinc/28/59/86/1061285986.db2.gz JCZRCJUUJOGNRB-BMFZPTHFSA-N 0 3 320.408 2.264 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cnccc1C(F)(F)F ZINC001327265912 1148506099 /nfs/dbraw/zinc/50/60/99/1148506099.db2.gz VXQNXOWKHBEFJT-UHFFFAOYSA-N 0 3 313.323 2.128 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccccc2CC)C1 ZINC001479660088 1061575657 /nfs/dbraw/zinc/57/56/57/1061575657.db2.gz RDZIGIGYZUCYAO-QGZVFWFLSA-N 0 3 316.445 2.334 20 30 DEEDHN Cc1ccccc1CN1CC[C@H](NC(=O)CSCC#N)[C@H]1C ZINC001479697799 1061612451 /nfs/dbraw/zinc/61/24/51/1061612451.db2.gz FZRRMYJSMNLHRN-ZBFHGGJFSA-N 0 3 317.458 2.331 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)OCC(C)C)CC(C)(C)C1 ZINC001479745696 1061676231 /nfs/dbraw/zinc/67/62/31/1061676231.db2.gz PGQQMAKZEHGURF-HOTGVXAUSA-N 0 3 308.466 2.288 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@@H](NCc1ccn(C)n1)C(C)C ZINC001506178088 1061713811 /nfs/dbraw/zinc/71/38/11/1061713811.db2.gz QHBWRJHKQLLKKN-QGZVFWFLSA-N 0 3 318.465 2.042 20 30 DEEDHN C#CCN(CCCNC(=O)c1coc(C2CCC2)n1)C1CC1 ZINC001479878932 1061975905 /nfs/dbraw/zinc/97/59/05/1061975905.db2.gz PKHVAZQILNAOJF-UHFFFAOYSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CN(C)c2ccccc2)C1 ZINC001479916543 1062051801 /nfs/dbraw/zinc/05/18/01/1062051801.db2.gz OBGNQUJNMCLCHG-MRXNPFEDSA-N 0 3 301.434 2.280 20 30 DEEDHN C=CCN1CC[C@@H](NC[C@@H](CCCC)NC(=O)C(C)(C)C)C1=O ZINC001506556103 1062125221 /nfs/dbraw/zinc/12/52/21/1062125221.db2.gz JKSUZKNAYOPPEP-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001479980739 1062143277 /nfs/dbraw/zinc/14/32/77/1062143277.db2.gz 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C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C1=CCCCCC1 ZINC001507068653 1062778294 /nfs/dbraw/zinc/77/82/94/1062778294.db2.gz RVVUQTZDHSOVIP-HUUCEWRRSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCCCC(=O)NC1CCC(NCc2nccnc2C)CC1 ZINC001480402119 1062809373 /nfs/dbraw/zinc/80/93/73/1062809373.db2.gz SYNYMLWQUJZOSZ-UHFFFAOYSA-N 0 3 314.433 2.106 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(F)c2ncccc2c1 ZINC001507135975 1062896129 /nfs/dbraw/zinc/89/61/29/1062896129.db2.gz JFCRRRPEWQJFQP-ZDUSSCGKSA-N 0 3 313.376 2.447 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1occc1Br ZINC001507137452 1062900942 /nfs/dbraw/zinc/90/09/42/1062900942.db2.gz MLJRFZVOIXLCGW-SNVBAGLBSA-N 0 3 313.195 2.116 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001480499251 1062947997 /nfs/dbraw/zinc/94/79/97/1062947997.db2.gz LPVYGYUSKRERHT-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2cc(CO)ccc2F)[C@H]1C ZINC001507272008 1063013378 /nfs/dbraw/zinc/01/33/78/1063013378.db2.gz LLSMPJPUCMLOHE-CXAGYDPISA-N 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C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NCc1snnc1C ZINC001480790140 1063347971 /nfs/dbraw/zinc/34/79/71/1063347971.db2.gz MLWJKFAHMJSKMI-NHYWBVRUSA-N 0 3 310.467 2.433 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cscc1C(F)F ZINC001507625961 1063366343 /nfs/dbraw/zinc/36/63/43/1063366343.db2.gz JBGILQINDHKVDY-JTQLQIEISA-N 0 3 318.389 2.236 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(C)nc1C(C)C ZINC001507673856 1063378037 /nfs/dbraw/zinc/37/80/37/1063378037.db2.gz CLYLUUHELZZGFD-OAHLLOKOSA-N 0 3 319.449 2.064 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1Cc2ccc(F)cc21)CCOC ZINC001508052006 1063521339 /nfs/dbraw/zinc/52/13/39/1063521339.db2.gz WSJVDQPMQZJRSX-QGZVFWFLSA-N 0 3 320.408 2.106 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC001508102112 1063558143 /nfs/dbraw/zinc/55/81/43/1063558143.db2.gz DGIKOZTWCQGQQN-UHFFFAOYSA-N 0 3 314.433 2.058 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001493106566 1063571798 /nfs/dbraw/zinc/57/17/98/1063571798.db2.gz GSZFVBURGNGCSM-UONOGXRCSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC001508133786 1063573871 /nfs/dbraw/zinc/57/38/71/1063573871.db2.gz SAQAERHNVVWZPJ-JFUPDXTOSA-N 0 3 316.449 2.466 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001493223373 1063648443 /nfs/dbraw/zinc/64/84/43/1063648443.db2.gz OGDRIZQVSQTZSK-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccc2cnccc2n1 ZINC001493330427 1063721696 /nfs/dbraw/zinc/72/16/96/1063721696.db2.gz OKEUXBQIUDPWMK-UHFFFAOYSA-N 0 3 310.401 2.095 20 30 DEEDHN CC#CCNCCN(C)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001493802478 1063968502 /nfs/dbraw/zinc/96/85/02/1063968502.db2.gz VBYOESAXELTHAN-OAHLLOKOSA-N 0 3 302.418 2.260 20 30 DEEDHN CC(C)N(C/C=C/Cl)CCCNC(=O)c1cc(C#N)c[nH]1 ZINC001493855471 1063994959 /nfs/dbraw/zinc/99/49/59/1063994959.db2.gz MHNNAHHLWPJLLF-HWKANZROSA-N 0 3 308.813 2.469 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc2cccc(F)c2o1 ZINC001567320224 1064143855 /nfs/dbraw/zinc/14/38/55/1064143855.db2.gz LNMHLEACVJQQKT-UHFFFAOYSA-N 0 3 320.364 2.436 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001567393639 1064176865 /nfs/dbraw/zinc/17/68/65/1064176865.db2.gz QWDDCWLNODCELT-ZDUSSCGKSA-N 0 3 321.421 2.021 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCc2cc(Cl)cs2)C1 ZINC001567409137 1064186667 /nfs/dbraw/zinc/18/66/67/1064186667.db2.gz BKCHPKITKURXHB-GFCCVEGCSA-N 0 3 310.850 2.405 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H]2CCN(CC#CCOC)C2)CCCC1 ZINC001567420726 1064191419 /nfs/dbraw/zinc/19/14/19/1064191419.db2.gz BRGXGBWMBCRYBY-KRWDZBQOSA-N 0 3 318.461 2.211 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)CCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001567546339 1064245427 /nfs/dbraw/zinc/24/54/27/1064245427.db2.gz CDWBYXGMVWFASF-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCNCc2ccc(OC)nc2)CC1 ZINC001567556329 1064252854 /nfs/dbraw/zinc/25/28/54/1064252854.db2.gz YOFISURSKNLFED-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001567594866 1064269086 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C#Cc1cncc(C(=O)N2CC[C@H](CN(C)C[C@H](F)CC)C2)c1 ZINC001567735882 1064388293 /nfs/dbraw/zinc/38/82/93/1064388293.db2.gz GVEFCPAPCDHCJY-NVXWUHKLSA-N 0 3 317.408 2.205 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(CC/C=C\CCC)C1 ZINC001567762692 1064408792 /nfs/dbraw/zinc/40/87/92/1064408792.db2.gz FOWNYDMSJDILCE-PRJTXATQSA-N 0 3 306.450 2.352 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001567882545 1064481697 /nfs/dbraw/zinc/48/16/97/1064481697.db2.gz NRSPTKFVIWFNKC-OLZOCXBDSA-N 0 3 322.371 2.358 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001494942391 1064599627 /nfs/dbraw/zinc/59/96/27/1064599627.db2.gz XMUFWFHQFJRUBO-NSHDSACASA-N 0 3 302.403 2.246 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001494950182 1064604014 /nfs/dbraw/zinc/60/40/14/1064604014.db2.gz MBVCYIWETFXAKM-ROUUACIJSA-N 0 3 316.445 2.338 20 30 DEEDHN C=CCCCC(=O)NC1(CNCc2ccnn2C)CCCC1 ZINC001495188528 1064751006 /nfs/dbraw/zinc/75/10/06/1064751006.db2.gz 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C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](CC)CC(C)C)CC2)C1 ZINC001569625702 1065628044 /nfs/dbraw/zinc/62/80/44/1065628044.db2.gz BLDATVDZJNRCQP-ROUUACIJSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C[C@H](C)CC(C)C)CC2)C1 ZINC001569626936 1065629822 /nfs/dbraw/zinc/62/98/22/1065629822.db2.gz XRCTZJDIHXKVEG-MSOLQXFVSA-N 0 3 321.509 2.463 20 30 DEEDHN C=CCOCC(=O)N[C@@]1(C)CCN(Cc2cccc(C)c2)C1 ZINC001569632096 1065635313 /nfs/dbraw/zinc/63/53/13/1065635313.db2.gz MJSPZJIRURAPLU-SFHVURJKSA-N 0 3 302.418 2.278 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)CCc2cccc(OC)c2)C1 ZINC001569642423 1065641466 /nfs/dbraw/zinc/64/14/66/1065641466.db2.gz DDDLPECTDCNCEP-GOSISDBHSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001569703222 1065680574 /nfs/dbraw/zinc/68/05/74/1065680574.db2.gz MXPLEJBWFZHLSB-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1cnc(C)s1 ZINC001569867919 1065777705 /nfs/dbraw/zinc/77/77/05/1065777705.db2.gz 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/nfs/dbraw/zinc/80/05/74/1066800574.db2.gz XILFHKUHZWVUBV-UHFFFAOYSA-N 0 3 316.449 2.470 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001498649957 1066820439 /nfs/dbraw/zinc/82/04/39/1066820439.db2.gz HHDUYVPNTKXOIQ-UHFFFAOYSA-N 0 3 320.824 2.447 20 30 DEEDHN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)[C@H](N)CCCCC#N ZINC001577371817 1066827299 /nfs/dbraw/zinc/82/72/99/1066827299.db2.gz OHYMIGNNSMQPQZ-PBHICJAKSA-N 0 3 323.437 2.122 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC001577426259 1066839846 /nfs/dbraw/zinc/83/98/46/1066839846.db2.gz JSNRIDZDFITFRM-WIEQDCTASA-N 0 3 316.511 2.434 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC001577426772 1066839941 /nfs/dbraw/zinc/83/99/41/1066839941.db2.gz WLHYVWNJWGIGFJ-TYTKBFJVSA-N 0 3 316.511 2.432 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001499000582 1067012392 /nfs/dbraw/zinc/01/23/92/1067012392.db2.gz RBQNVHDWYNRERV-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1COc2ccccc2C1 ZINC001635753136 1078457725 /nfs/dbraw/zinc/45/77/25/1078457725.db2.gz ILLQXKZVHSLZMS-INIZCTEOSA-N 0 3 302.418 2.204 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1sc(C)nc1C ZINC001499026558 1067036338 /nfs/dbraw/zinc/03/63/38/1067036338.db2.gz SAJSTSQWZRWWLI-CQSZACIVSA-N 0 3 307.463 2.459 20 30 DEEDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H](N)CCCCC#N ZINC001578478868 1067115183 /nfs/dbraw/zinc/11/51/83/1067115183.db2.gz WSOWBVYWHGAJCC-OAHLLOKOSA-N 0 3 318.377 2.007 20 30 DEEDHN CC[C@H](CC(=O)NC[C@H](C)NCC#CCOC)c1ccccc1 ZINC001266982273 1078479593 /nfs/dbraw/zinc/47/95/93/1078479593.db2.gz AFLNNQICXCYBPN-DLBZAZTESA-N 0 3 316.445 2.314 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3ccns3)CC2)c1 ZINC001499239520 1067152783 /nfs/dbraw/zinc/15/27/83/1067152783.db2.gz DJWWBRJDSPGYPJ-UHFFFAOYSA-N 0 3 312.398 2.067 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2cnc(C)s2)C1 ZINC001267005353 1078494381 /nfs/dbraw/zinc/49/43/81/1078494381.db2.gz CQFZWNGHZJZTMG-JSGCOSHPSA-N 0 3 323.462 2.123 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)C3(CF)CCC3)CC2)cc1 ZINC001499351767 1067194371 /nfs/dbraw/zinc/19/43/71/1067194371.db2.gz PAARNSUIBAWREF-UHFFFAOYSA-N 0 3 315.392 2.436 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN(C)CCOCC(C)C)cc1 ZINC001483370651 1078487678 /nfs/dbraw/zinc/48/76/78/1078487678.db2.gz QMEXTXRKMCIYJP-INIZCTEOSA-N 0 3 316.445 2.391 20 30 DEEDHN CON(C(=O)[C@H](N)CCCC#N)[C@H]1CCCOc2ccccc21 ZINC001579098585 1067234491 /nfs/dbraw/zinc/23/44/91/1067234491.db2.gz MPRGBBLNZJNIQF-CABCVRRESA-N 0 3 317.389 2.311 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](CC)OCC)C2)C1 ZINC001499566906 1067262287 /nfs/dbraw/zinc/26/22/87/1067262287.db2.gz IYCFACCQUZZVEZ-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1c(C)noc1C(F)(F)F ZINC001483392375 1078502099 /nfs/dbraw/zinc/50/20/99/1078502099.db2.gz WRWDYIZWJURCSU-MRVPVSSYSA-N 0 3 305.300 2.238 20 30 DEEDHN CSc1ccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)cc1C#N ZINC001579388553 1067324883 /nfs/dbraw/zinc/32/48/83/1067324883.db2.gz XRCYKONOAQKBKN-NWDGAFQWSA-N 0 3 318.446 2.172 20 30 DEEDHN Cc1c(C(F)(F)F)nn(C)c1NC(=O)[C@H](N)CCCCC#N ZINC001579527845 1067361244 /nfs/dbraw/zinc/36/12/44/1067361244.db2.gz CSCCJBOTZJIJMM-SECBINFHSA-N 0 3 317.315 2.097 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2ccn(C(C)C)n2)C1 ZINC001267037344 1078519555 /nfs/dbraw/zinc/51/95/55/1078519555.db2.gz CKDGLUJMBJPGGH-INIZCTEOSA-N 0 3 316.449 2.206 20 30 DEEDHN Cc1nc(-c2ccccc2NC(=O)[C@@H](N)CCCCC#N)no1 ZINC001579842034 1067436442 /nfs/dbraw/zinc/43/64/42/1067436442.db2.gz KMWVGMKYZVTUOY-ZDUSSCGKSA-N 0 3 313.361 2.395 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC1(Cc3ccccc3)CC1)C2 ZINC001580043745 1067479978 /nfs/dbraw/zinc/47/99/78/1067479978.db2.gz QHXXDCXDLLZSIW-OHTSDLOESA-N 0 3 323.440 2.265 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001267055443 1078532118 /nfs/dbraw/zinc/53/21/18/1078532118.db2.gz NERUOKPJICUHEV-OLZOCXBDSA-N 0 3 308.451 2.079 20 30 DEEDHN N#Cc1cccc(CC(=O)Nc2ccc3c(c2)OCCNC3)c1 ZINC001580076192 1067490492 /nfs/dbraw/zinc/49/04/92/1067490492.db2.gz QELGVPJYYZKJRY-UHFFFAOYSA-N 0 3 307.353 2.221 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCc2cccnc21 ZINC001483488116 1078565189 /nfs/dbraw/zinc/56/51/89/1078565189.db2.gz JOLCJKOEOYSEAA-AWEZNQCLSA-N 0 3 307.825 2.302 20 30 DEEDHN C#CCCCC(=O)N[C@H](CNCc1c(C)noc1C)C1CC1 ZINC001483558226 1078597306 /nfs/dbraw/zinc/59/73/06/1078597306.db2.gz TUUJRTZLQWPWHI-MRXNPFEDSA-N 0 3 303.406 2.079 20 30 DEEDHN C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001570718434 1068093616 /nfs/dbraw/zinc/09/36/16/1068093616.db2.gz WGYKJCSZRIHHIM-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001570718434 1068093631 /nfs/dbraw/zinc/09/36/31/1068093631.db2.gz WGYKJCSZRIHHIM-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)C1Cc2ccccc2C1 ZINC001570737352 1068104797 /nfs/dbraw/zinc/10/47/97/1068104797.db2.gz DECMRTXHTZYNQQ-OAHLLOKOSA-N 0 3 316.445 2.041 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001570839929 1068136154 /nfs/dbraw/zinc/13/61/54/1068136154.db2.gz UTVZBFGAMDJTCF-BEFAXECRSA-N 0 3 316.445 2.259 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCCC#CC)C(C)(C)C1 ZINC001570902509 1068155716 /nfs/dbraw/zinc/15/57/16/1068155716.db2.gz UKLZQGRCHOZMKZ-INIZCTEOSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001510746313 1068189837 /nfs/dbraw/zinc/18/98/37/1068189837.db2.gz MSUNNYDYHBTRCB-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cnc(C)nc1C ZINC001571318378 1068217240 /nfs/dbraw/zinc/21/72/40/1068217240.db2.gz JKHGXWRKEZGEQF-LLVKDONJSA-N 0 3 310.829 2.334 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001571334327 1068228164 /nfs/dbraw/zinc/22/81/64/1068228164.db2.gz UMMQJCIAPLZHQO-VFXHQOSVSA-N 0 3 312.841 2.253 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001571397795 1068273581 /nfs/dbraw/zinc/27/35/81/1068273581.db2.gz HLBYAENZBSVQAK-DOTOQJQBSA-N 0 3 314.429 2.239 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001267245560 1078695332 /nfs/dbraw/zinc/69/53/32/1078695332.db2.gz JBRURXGFFDICRE-INIZCTEOSA-N 0 3 301.434 2.137 20 30 DEEDHN C=CCCC(=O)NC[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001511789571 1068390874 /nfs/dbraw/zinc/39/08/74/1068390874.db2.gz PCEDBLLXUFVPOW-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCCN1CCc1cccs1 ZINC001267262246 1078708920 /nfs/dbraw/zinc/70/89/20/1078708920.db2.gz XVZCFWGBKCUSQD-ZDUSSCGKSA-N 0 3 323.487 2.128 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC001571558564 1068419914 /nfs/dbraw/zinc/41/99/14/1068419914.db2.gz MHMYMQOXTLQHGT-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)Cn1nc(C)cc1C)C(C)C ZINC001571612899 1068439829 /nfs/dbraw/zinc/43/98/29/1068439829.db2.gz CKFVAIWPDJKOPG-UHFFFAOYSA-N 0 3 306.454 2.245 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C(C)(C)c2cccnc2)CC1 ZINC001571648778 1068458744 /nfs/dbraw/zinc/45/87/44/1068458744.db2.gz FLMSAPAZUCFYCN-HNNXBMFYSA-N 0 3 313.445 2.209 20 30 DEEDHN CN(C(=O)CSCC#N)C1CC(NCc2ccccc2F)C1 ZINC001571653830 1068460739 /nfs/dbraw/zinc/46/07/39/1068460739.db2.gz GXIXPIPDFDHJRE-UHFFFAOYSA-N 0 3 321.421 2.161 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001267305581 1078752016 /nfs/dbraw/zinc/75/20/16/1078752016.db2.gz LNWVFXNVYCSZRZ-IRXDYDNUSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC001483660234 1078761815 /nfs/dbraw/zinc/76/18/15/1078761815.db2.gz QVAUAOOPGOKFOC-KGLIPLIRSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN[C@H](CNC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC001267357981 1078790175 /nfs/dbraw/zinc/79/01/75/1078790175.db2.gz VTJZONDBFHSDJP-SJLPKXTDSA-N 0 3 314.429 2.274 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1ccc(F)cn1)c1ccccc1 ZINC001267362362 1078793782 /nfs/dbraw/zinc/79/37/82/1078793782.db2.gz QIELZNFYDZDQDE-QGZVFWFLSA-N 0 3 313.376 2.396 20 30 DEEDHN CCO[C@H](C(=O)N(C)CCNCc1cccc(C#N)c1)C(C)C ZINC001267372850 1078802635 /nfs/dbraw/zinc/80/26/35/1078802635.db2.gz ZNBHIJMRNUHFOU-KRWDZBQOSA-N 0 3 317.433 2.167 20 30 DEEDHN Cc1ccn(-c2cccc(C(=O)C(C#N)c3ccncn3)c2)n1 ZINC001516767114 1068943322 /nfs/dbraw/zinc/94/33/22/1068943322.db2.gz KUQQLDMCJJBVKV-HNNXBMFYSA-N 0 3 303.325 2.461 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC001267381670 1078815161 /nfs/dbraw/zinc/81/51/61/1078815161.db2.gz FXZNRHULCHTNCS-RHSMWYFYSA-N 0 3 312.417 2.157 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cc(N(C)C)ccn1)c1ccccc1 ZINC001267382029 1078816263 /nfs/dbraw/zinc/81/62/63/1078816263.db2.gz KYKPGNZVIHDVQU-SFHVURJKSA-N 0 3 324.428 2.394 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@]1(F)CCOC1)c1ccccc1 ZINC001518304344 1068999748 /nfs/dbraw/zinc/99/97/48/1068999748.db2.gz DKAOUIHFHBMSSY-GRDNDAEWSA-N 0 3 318.348 2.091 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1c(C)[nH]nc1Br ZINC001649251543 1082074235 /nfs/dbraw/zinc/07/42/35/1082074235.db2.gz YJKYLBXHTGSTIV-QMMMGPOBSA-N 0 3 322.166 2.187 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC001521446308 1069243180 /nfs/dbraw/zinc/24/31/80/1069243180.db2.gz MNFHBMKQUQVUHB-MRXNPFEDSA-N 0 3 303.406 2.145 20 30 DEEDHN COc1cccc([C@@H](C)NC2(CNC(=O)[C@H](C)C#N)CC2)c1 ZINC001483723350 1078876077 /nfs/dbraw/zinc/87/60/77/1078876077.db2.gz LPXHPFPRCVSDLK-CHWSQXEVSA-N 0 3 301.390 2.154 20 30 DEEDHN C=C(CC)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001521676650 1069260675 /nfs/dbraw/zinc/26/06/75/1069260675.db2.gz HCPQWYLCQIORNU-ROUUACIJSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001574851164 1069276812 /nfs/dbraw/zinc/27/68/12/1069276812.db2.gz AUOXGSMOUFFAFG-AWEZNQCLSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001574871986 1069283184 /nfs/dbraw/zinc/28/31/84/1069283184.db2.gz AHHIXOIMDSJZSP-LRDDRELGSA-N 0 3 304.394 2.068 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC001574902713 1069291186 /nfs/dbraw/zinc/29/11/86/1069291186.db2.gz DLTWDJAMGZMTAM-KBPBESRZSA-N 0 3 314.788 2.312 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC001574902783 1069291296 /nfs/dbraw/zinc/29/12/96/1069291296.db2.gz GVPQSBWTFLRKKH-BXUZGUMPSA-N 0 3 304.394 2.038 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC001574908897 1069294027 /nfs/dbraw/zinc/29/40/27/1069294027.db2.gz ZVWLIGWRNKHRCS-CYBMUJFWSA-N 0 3 315.339 2.443 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC001522046282 1069297862 /nfs/dbraw/zinc/29/78/62/1069297862.db2.gz VODYRYPSJDXKJB-DLBZAZTESA-N 0 3 301.434 2.407 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)CC1CCCCC1 ZINC001645453456 1078901780 /nfs/dbraw/zinc/90/17/80/1078901780.db2.gz LWGAFTJEEHHMRU-UHFFFAOYSA-N 0 3 309.498 2.465 20 30 DEEDHN C#CCCN[C@H](CNC(=O)CCc1cccnc1)c1ccccc1 ZINC001267519719 1078948673 /nfs/dbraw/zinc/94/86/73/1078948673.db2.gz GXVUQYNFCAPQRB-LJQANCHMSA-N 0 3 321.424 2.485 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001280543075 1078948026 /nfs/dbraw/zinc/94/80/26/1078948026.db2.gz SMJGAUCRFVYPFX-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1ncccc1OC)c1ccccc1 ZINC001267526512 1078957177 /nfs/dbraw/zinc/95/71/77/1078957177.db2.gz VHRIHLHYHJOZKX-INIZCTEOSA-N 0 3 323.396 2.174 20 30 DEEDHN C#CCCCC(=O)NCC[C@H]1CCN(Cc2ocnc2C)C1 ZINC001267556574 1078988017 /nfs/dbraw/zinc/98/80/17/1078988017.db2.gz QWPWJLJGJKKXIW-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CN(C)Cc2cnoc2C)C1 ZINC001267581317 1079076656 /nfs/dbraw/zinc/07/66/56/1079076656.db2.gz NGORTPXSDZFBMC-INIZCTEOSA-N 0 3 317.433 2.457 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3[nH]cnc3C)CC2)C1=O ZINC001272663923 1079077380 /nfs/dbraw/zinc/07/73/80/1079077380.db2.gz BHUOIFQFZCJDLT-GOSISDBHSA-N 0 3 316.449 2.499 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)CCc2ccccc2F)CC1 ZINC001483768774 1079094464 /nfs/dbraw/zinc/09/44/64/1079094464.db2.gz OVFFZINAUMQDGL-AWEZNQCLSA-N 0 3 302.393 2.266 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2cn(C)nc2C)C1 ZINC001267587716 1079095422 /nfs/dbraw/zinc/09/54/22/1079095422.db2.gz BRMIDJICSNSFLB-INIZCTEOSA-N 0 3 318.465 2.365 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCOC1 ZINC001272669461 1079096713 /nfs/dbraw/zinc/09/67/13/1079096713.db2.gz CYKNBFRBLBPIMA-GOSISDBHSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)CCc1ncccn1 ZINC001272675064 1079111596 /nfs/dbraw/zinc/11/15/96/1079111596.db2.gz FSWFGLFQKGHNFJ-UHFFFAOYSA-N 0 3 324.428 2.343 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1c(C)cnn1C ZINC001272676194 1079113479 /nfs/dbraw/zinc/11/34/79/1079113479.db2.gz XRLRXKUZDNNQMC-UHFFFAOYSA-N 0 3 324.428 2.114 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCCc3cccs3)C[C@@H]2C1 ZINC001649433040 1079116347 /nfs/dbraw/zinc/11/63/47/1079116347.db2.gz FCLQMMSZLTYSHA-CVEARBPZSA-N 0 3 316.470 2.484 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001481046601 1079123868 /nfs/dbraw/zinc/12/38/68/1079123868.db2.gz XMKBUMQOEBSGCA-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001483808854 1079135352 /nfs/dbraw/zinc/13/53/52/1079135352.db2.gz NQECGAUPBHNVMZ-WKULXVSPSA-N 0 3 318.461 2.300 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1c(C)cccc1C ZINC001481069024 1079149038 /nfs/dbraw/zinc/14/90/38/1079149038.db2.gz VWFSHEHLFQYNSY-MRXNPFEDSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cnc(C)cn2)C[C@@H]1C ZINC001483898301 1079170921 /nfs/dbraw/zinc/17/09/21/1079170921.db2.gz IJDJAKLSBKBJLQ-GJZGRUSLSA-N 0 3 302.422 2.220 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001483944083 1079201202 /nfs/dbraw/zinc/20/12/02/1079201202.db2.gz OEXSJFJUKVVPBN-HUUCEWRRSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001481124269 1079223598 /nfs/dbraw/zinc/22/35/98/1079223598.db2.gz OEWKNQPFIJLWHU-STQMWFEESA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C(=O)/C(C)=C\C)C1CCN(CCOCC2CC2)CC1 ZINC001483982202 1079225113 /nfs/dbraw/zinc/22/51/13/1079225113.db2.gz MEXJVVHATBTURB-BNCCVWRVSA-N 0 3 318.461 2.305 20 30 DEEDHN C[C@H](CN1CCOCC1)N(C)Cc1cc(Cl)cc(C#N)c1 ZINC001646323850 1074414491 /nfs/dbraw/zinc/41/44/91/1074414491.db2.gz XQLAXBCTHDEYMV-CYBMUJFWSA-N 0 3 307.825 2.364 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2cc(CC)ccn2)C1 ZINC001484045779 1079265580 /nfs/dbraw/zinc/26/55/80/1079265580.db2.gz XAYRTXREESBNML-GOSISDBHSA-N 0 3 317.433 2.041 20 30 DEEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCN(C(=O)C(F)F)C1 ZINC001267618762 1079280196 /nfs/dbraw/zinc/28/01/96/1079280196.db2.gz SEQKTEZHWUGWLG-CQSZACIVSA-N 0 3 324.346 2.223 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)COc2cccnc2)C1 ZINC001368643925 1148546467 /nfs/dbraw/zinc/54/64/67/1148546467.db2.gz GAGBGRVVFXZOEH-UONOGXRCSA-N 0 3 323.824 2.087 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C1CC1 ZINC001481184439 1079304066 /nfs/dbraw/zinc/30/40/66/1079304066.db2.gz 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C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccc(C)cc2F)C1 ZINC001566036208 1075219800 /nfs/dbraw/zinc/21/98/00/1075219800.db2.gz WYFGSLRGHWIYQL-HNNXBMFYSA-N 0 3 320.408 2.219 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@H]1C ZINC001566089597 1075227050 /nfs/dbraw/zinc/22/70/50/1075227050.db2.gz HSORZKXKSRGIMQ-KFWWJZLASA-N 0 3 304.438 2.162 20 30 DEEDHN CC#CCN(C)CCCNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001566505933 1075263929 /nfs/dbraw/zinc/26/39/29/1075263929.db2.gz CSRYQQDUFMJHJI-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@H]1CCC1(C)C)C1CC1 ZINC001566594339 1075291763 /nfs/dbraw/zinc/29/17/63/1075291763.db2.gz RATZBYYLKWHDDH-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN(CCCNC(=O)C1(c2cccc(F)c2)CC1)C1CC1 ZINC001566598455 1075292906 /nfs/dbraw/zinc/29/29/06/1075292906.db2.gz RYNYUNRPMDQZID-UHFFFAOYSA-N 0 3 314.404 2.461 20 30 DEEDHN CC#CCN(CCCNC(=O)C1(CC)CCOCC1)C1CC1 ZINC001566600056 1075294423 /nfs/dbraw/zinc/29/44/23/1075294423.db2.gz LXMDKBGMLMTMNF-UHFFFAOYSA-N 0 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Cc1nc(CCN(C)[C@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001329432054 1148894192 /nfs/dbraw/zinc/89/41/92/1148894192.db2.gz QWMAGTWZUJCCAZ-CYBMUJFWSA-N 0 3 321.490 2.480 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001267780487 1079490910 /nfs/dbraw/zinc/49/09/10/1079490910.db2.gz OWZRVSTUBDZQOB-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCOCC(F)(F)F)C1 ZINC001267787836 1079495968 /nfs/dbraw/zinc/49/59/68/1079495968.db2.gz KSJMWCMLNFHEMG-GFCCVEGCSA-N 0 3 308.344 2.064 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001267794420 1079499607 /nfs/dbraw/zinc/49/96/07/1079499607.db2.gz OMQLPAOWVCFFCT-AWEZNQCLSA-N 0 3 312.417 2.214 20 30 DEEDHN CC[C@@H](CNC(=O)CSCC#N)NCC=C(Cl)Cl ZINC001267796187 1079500483 /nfs/dbraw/zinc/50/04/83/1079500483.db2.gz KUZCXGWMPJWDGO-VIFPVBQESA-N 0 3 310.250 2.047 20 30 DEEDHN C=CCC1(C(=O)NCCN(C)C(=O)C(C)(C)N(C)CC)CCC1 ZINC001580989164 1076030306 /nfs/dbraw/zinc/03/03/06/1076030306.db2.gz 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C=CC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559563 1076453930 /nfs/dbraw/zinc/45/39/30/1076453930.db2.gz KHFROKBGXWISDM-CJNGLKHVSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588559563 1076453931 /nfs/dbraw/zinc/45/39/31/1076453931.db2.gz KHFROKBGXWISDM-CJNGLKHVSA-N 0 3 313.405 2.188 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](CC)OC ZINC001588647780 1076459626 /nfs/dbraw/zinc/45/96/26/1076459626.db2.gz BNJCGATXODCUPL-OAHLLOKOSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](CC)OC ZINC001588647780 1076459628 /nfs/dbraw/zinc/45/96/28/1076459628.db2.gz BNJCGATXODCUPL-OAHLLOKOSA-N 0 3 301.394 2.280 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609059851 1077751854 /nfs/dbraw/zinc/75/18/54/1077751854.db2.gz MRRRWOIMDWGZAD-WBIUFABUSA-N 0 3 317.368 2.248 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609059851 1077751856 /nfs/dbraw/zinc/75/18/56/1077751856.db2.gz MRRRWOIMDWGZAD-WBIUFABUSA-N 0 3 317.368 2.248 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609059702 1077752157 /nfs/dbraw/zinc/75/21/57/1077752157.db2.gz FQHBHHIFNZJNCT-BPUTZDHNSA-N 0 3 311.389 2.035 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609059702 1077752161 /nfs/dbraw/zinc/75/21/61/1077752161.db2.gz FQHBHHIFNZJNCT-BPUTZDHNSA-N 0 3 311.389 2.035 20 30 DEEDHN N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001609494444 1077870586 /nfs/dbraw/zinc/87/05/86/1077870586.db2.gz DTIGNDNXQUXYTA-JQWIXIFHSA-N 0 3 300.341 2.178 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](CC)NCc1ccccc1Cl ZINC001267804590 1079506660 /nfs/dbraw/zinc/50/66/60/1079506660.db2.gz JZGONVPSCRWZJL-HIFRSBDPSA-N 0 3 322.836 2.363 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](CC)NCc1ccccc1Cl ZINC001267804592 1079506714 /nfs/dbraw/zinc/50/67/14/1079506714.db2.gz JZGONVPSCRWZJL-ZFWWWQNUSA-N 0 3 322.836 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/nfs/dbraw/zinc/66/06/47/1079660647.db2.gz MBKBXYKBEMVLHT-PBHICJAKSA-N 0 3 320.408 2.351 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)CCNC/C=C\Cl ZINC001481300848 1079684309 /nfs/dbraw/zinc/68/43/09/1079684309.db2.gz JHEMXJAGVYALRX-ALCCZGGFSA-N 0 3 309.797 2.061 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2csc(C3CC3)n2)C1 ZINC001284012810 1079691315 /nfs/dbraw/zinc/69/13/15/1079691315.db2.gz FAAZJLRGOAUPDY-OCCSQVGLSA-N 0 3 317.458 2.165 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc3cccc(OC)c3o2)CCC1 ZINC001484648825 1079707030 /nfs/dbraw/zinc/70/70/30/1079707030.db2.gz MGHONMUYRRLQTF-UHFFFAOYSA-N 0 3 312.369 2.317 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)C(C)(C)C=C)C2)CC1 ZINC001484702418 1079728433 /nfs/dbraw/zinc/72/84/33/1079728433.db2.gz ZEUYFMFESVLBIM-KRWDZBQOSA-N 0 3 319.493 2.383 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](CC)c2c(C)noc2C)CC1 ZINC001484726631 1079749419 /nfs/dbraw/zinc/74/94/19/1079749419.db2.gz QKWAESKQIKCWKS-JKSUJKDBSA-N 0 3 317.433 2.389 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CCCc2ccccn2)CC1 ZINC001484725458 1079750245 /nfs/dbraw/zinc/75/02/45/1079750245.db2.gz AGNYLXRIJISMNA-GOSISDBHSA-N 0 3 313.445 2.398 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1ccc(OC)nc1)c1ccccc1 ZINC001481365708 1079759713 /nfs/dbraw/zinc/75/97/13/1079759713.db2.gz RQKPNIUSAHATFT-QGZVFWFLSA-N 0 3 323.396 2.174 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1ncc2n1CCCC2)c1ccccc1 ZINC001481371169 1079762835 /nfs/dbraw/zinc/76/28/35/1079762835.db2.gz BJPCUHXRJYWLDA-QGZVFWFLSA-N 0 3 324.428 2.466 20 30 DEEDHN C#CCCN[C@H](CNC(=O)Cc1ccc(C)nc1)c1ccccc1 ZINC001481373162 1079764768 /nfs/dbraw/zinc/76/47/68/1079764768.db2.gz VLVDGXJWDKSHRW-LJQANCHMSA-N 0 3 321.424 2.403 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001484763048 1079776391 /nfs/dbraw/zinc/77/63/91/1079776391.db2.gz AGAZSJNXQIVOMU-QUCCMNQESA-N 0 3 310.441 2.304 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1c(F)ccc(F)c1OC ZINC001484753232 1079780425 /nfs/dbraw/zinc/78/04/25/1079780425.db2.gz QBEJVDCEOCAOAK-UHFFFAOYSA-N 0 3 310.344 2.001 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CCC)C(=O)c2cc[nH]c2C)C1 ZINC001481397496 1079783623 /nfs/dbraw/zinc/78/36/23/1079783623.db2.gz ZUENYHDZNREJRY-INIZCTEOSA-N 0 3 319.449 2.452 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001484933003 1079864855 /nfs/dbraw/zinc/86/48/55/1079864855.db2.gz VMAZAGCQVFBDGR-GHMZBOCLSA-N 0 3 305.344 2.315 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001484946980 1079873568 /nfs/dbraw/zinc/87/35/68/1079873568.db2.gz RBELDZLQIZZSEZ-OAHLLOKOSA-N 0 3 307.482 2.216 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@@H](C)[C@H](C)CC)CC2)C1 ZINC001484945640 1079877119 /nfs/dbraw/zinc/87/71/19/1079877119.db2.gz DKOWRWUDFMPECQ-SJORKVTESA-N 0 3 321.509 2.463 20 30 DEEDHN C#CCOc1ccc(C(=O)NCC[C@H]2CCN(CCF)C2)cc1 ZINC001481452333 1079878750 /nfs/dbraw/zinc/87/87/50/1079878750.db2.gz MBRIQCVNDMNIQZ-HNNXBMFYSA-N 0 3 318.392 2.110 20 30 DEEDHN CC(C)C(C)(C)C(=O)NCCCCCN1CCN(CC#N)CC1 ZINC001485009061 1079915440 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C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001656182536 1080061509 /nfs/dbraw/zinc/06/15/09/1080061509.db2.gz PUVNAMVTUGPMNT-UWIFEVILSA-N 0 3 314.404 2.318 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001656219395 1080068389 /nfs/dbraw/zinc/06/83/89/1080068389.db2.gz MWDAGQSHSAOKBI-ZOBUZTSGSA-N 0 3 316.449 2.372 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C1CCC(C2CC2)CC1 ZINC001268096497 1080069493 /nfs/dbraw/zinc/06/94/93/1080069493.db2.gz QJRZKSHLKYOBSJ-ZLPCBKJTSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC001485231848 1080078125 /nfs/dbraw/zinc/07/81/25/1080078125.db2.gz LDGNIHCCVYJJOZ-HUUCEWRRSA-N 0 3 323.868 2.354 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2cncc(C)c2)[C@H]1CC ZINC001656723838 1080117738 /nfs/dbraw/zinc/11/77/38/1080117738.db2.gz QCDKAZHECPRNLN-DLBZAZTESA-N 0 3 301.434 2.478 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001656935846 1080140706 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C=CCCOCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001481662275 1080267691 /nfs/dbraw/zinc/26/76/91/1080267691.db2.gz RXSQNLVZHIVYBY-UHFFFAOYSA-N 0 3 316.445 2.444 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(F)c2ccncc12 ZINC001660272220 1080299057 /nfs/dbraw/zinc/29/90/57/1080299057.db2.gz GRMFWPXPDPOKRR-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)[C@@H](C)CSC)C(C)(C)C1 ZINC001485567672 1080299901 /nfs/dbraw/zinc/29/99/01/1080299901.db2.gz WPRWCFJELSTTMO-UONOGXRCSA-N 0 3 314.495 2.015 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001481707057 1080331340 /nfs/dbraw/zinc/33/13/40/1080331340.db2.gz XEGKERUERBSCFE-KURKYZTESA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCC[C@@H](C)O)C2)CCCC1 ZINC001481710346 1080344066 /nfs/dbraw/zinc/34/40/66/1080344066.db2.gz AQSNOYITEGIBPO-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)c2ccccn2)C1 ZINC001485672735 1080359651 /nfs/dbraw/zinc/35/96/51/1080359651.db2.gz XRTLELVSDUBPRE-HAQNSBGRSA-N 0 3 324.222 2.088 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001485695427 1080379916 /nfs/dbraw/zinc/37/99/16/1080379916.db2.gz AWHWODYAZQJOOK-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@@]1(C)CCC[C@@H]1C)C1CC1 ZINC001660719622 1080385461 /nfs/dbraw/zinc/38/54/61/1080385461.db2.gz SHCXWVPHJCYQOV-LPHOPBHVSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)CCn2cccc2)CC1 ZINC001660792006 1080397503 /nfs/dbraw/zinc/39/75/03/1080397503.db2.gz YJXLUJACJUBEKC-UHFFFAOYSA-N 0 3 319.449 2.004 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CCNCc1nccnc1C ZINC001268389491 1080408837 /nfs/dbraw/zinc/40/88/37/1080408837.db2.gz NHVIDYFDTILATF-CYBMUJFWSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001268391606 1080412251 /nfs/dbraw/zinc/41/22/51/1080412251.db2.gz ITBOQPHDSVGEMV-CYBMUJFWSA-N 0 3 307.825 2.350 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001661034386 1080431885 /nfs/dbraw/zinc/43/18/85/1080431885.db2.gz DXDBCDLQVHCHFK-ROUUACIJSA-N 0 3 315.461 2.446 20 30 DEEDHN Cc1ccncc1CN1CCC2(C[C@H]2NC(=O)C#CC2CC2)CC1 ZINC001661063147 1080435901 /nfs/dbraw/zinc/43/59/01/1080435901.db2.gz GYWLZWDOGOAKIU-GOSISDBHSA-N 0 3 323.440 2.274 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c1C ZINC001661254362 1080464285 /nfs/dbraw/zinc/46/42/85/1080464285.db2.gz DSMOTPMVLVUPKJ-FPMFFAJLSA-N 0 3 318.421 2.067 20 30 DEEDHN N#CCOc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC001661367051 1080474540 /nfs/dbraw/zinc/47/45/40/1080474540.db2.gz ABWBFDXQKGJHNJ-UHFFFAOYSA-N 0 3 319.368 2.459 20 30 DEEDHN CCCCC(=O)N1CCC[C@@H]2CN(CC#CCOC)CC[C@H]21 ZINC001661548186 1080491895 /nfs/dbraw/zinc/49/18/95/1080491895.db2.gz HKVXYGOTIMZULQ-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOCC(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001124777649 1080492990 /nfs/dbraw/zinc/49/29/90/1080492990.db2.gz FNCKDQOEDSZCBB-NSHDSACASA-N 0 3 314.788 2.449 20 30 DEEDHN C[C@@](CNCC#Cc1ccccc1)(NC(=O)c1cocn1)C1CC1 ZINC001481921604 1080610538 /nfs/dbraw/zinc/61/05/38/1080610538.db2.gz BWMOVUKHFRKWLQ-IBGZPJMESA-N 0 3 323.396 2.214 20 30 DEEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)N[C@@H](C)c2cnccn2)cc1 ZINC001662955038 1080680046 /nfs/dbraw/zinc/68/00/46/1080680046.db2.gz WTIDTUUVFGHILW-CABCVRRESA-N 0 3 322.412 2.317 20 30 DEEDHN COc1cc(CNC/C=C/CNC(=O)[C@H](C)C#N)ccc1Cl ZINC001268525402 1080716782 /nfs/dbraw/zinc/71/67/82/1080716782.db2.gz XZSKSUDKVBERTA-AAOUONPWSA-N 0 3 321.808 2.270 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2 ZINC001107335886 1080733222 /nfs/dbraw/zinc/73/32/22/1080733222.db2.gz DRKZVMXNJSAUAP-JGGQBBKZSA-N 0 3 318.446 2.164 20 30 DEEDHN CCC[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107340592 1080736469 /nfs/dbraw/zinc/73/64/69/1080736469.db2.gz ACZQODGQOWZTNO-ZHALLVOQSA-N 0 3 320.477 2.433 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)c2ccsn2)cc1 ZINC001268555691 1080753074 /nfs/dbraw/zinc/75/30/74/1080753074.db2.gz RLDMJWUTYNZRPZ-OWOJBTEDSA-N 0 3 312.398 2.091 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1csc(CC)n1 ZINC001663548195 1080772362 /nfs/dbraw/zinc/77/23/62/1080772362.db2.gz PSBBHSINAWJXJS-AWEZNQCLSA-N 0 3 307.463 2.405 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCCOc2ccccc2F)C1 ZINC001663645285 1080797820 /nfs/dbraw/zinc/79/78/20/1080797820.db2.gz SAQFDQCKNLAMLS-HNNXBMFYSA-N 0 3 318.392 2.056 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C(C)C)nn1C ZINC001663687806 1080801662 /nfs/dbraw/zinc/80/16/62/1080801662.db2.gz HANYUNDGUZCABB-UHFFFAOYSA-N 0 3 304.438 2.009 20 30 DEEDHN C=C1CCC(C(=O)N(C)CCNCc2ccnc(OC)c2)CC1 ZINC001664165414 1080870601 /nfs/dbraw/zinc/87/06/01/1080870601.db2.gz UPNWDPFBTNLHFB-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001268628476 1080903515 /nfs/dbraw/zinc/90/35/15/1080903515.db2.gz NLFBDKVLPUFTON-SSBHQGKESA-N 0 3 318.367 2.354 20 30 DEEDHN CCOCCCC(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268678953 1080929326 /nfs/dbraw/zinc/92/93/26/1080929326.db2.gz UJXFXNBPOCUQCE-HNNXBMFYSA-N 0 3 320.408 2.088 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001268732936 1080958505 /nfs/dbraw/zinc/95/85/05/1080958505.db2.gz QXBZGGCOPIAGMT-RDJZCZTQSA-N 0 3 301.434 2.278 20 30 DEEDHN Cc1ncoc1CN(C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001664806928 1080963567 /nfs/dbraw/zinc/96/35/67/1080963567.db2.gz OBMIMFZGJXHAPE-HNNXBMFYSA-N 0 3 317.433 2.313 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCCNCc1nsc2ccccc12 ZINC001268783333 1080989231 /nfs/dbraw/zinc/98/92/31/1080989231.db2.gz HMEFEZLLYDKBQX-GFCCVEGCSA-N 0 3 316.430 2.394 20 30 DEEDHN C#CCOCCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001268829016 1081010899 /nfs/dbraw/zinc/01/08/99/1081010899.db2.gz SYDXBYPRIIAKTP-MRXNPFEDSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001268906546 1081038765 /nfs/dbraw/zinc/03/87/65/1081038765.db2.gz QMBIMJSBYHZLQE-UHFFFAOYSA-N 0 3 309.413 2.172 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCCOc2ccccc2F)C1 ZINC001268911794 1081040788 /nfs/dbraw/zinc/04/07/88/1081040788.db2.gz RMTJIJXRCLSZOW-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001268944122 1081052990 /nfs/dbraw/zinc/05/29/90/1081052990.db2.gz KPMMTZJIFKFRJP-ROUUACIJSA-N 0 3 316.445 2.202 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)nc2)C1 ZINC001665697143 1081065563 /nfs/dbraw/zinc/06/55/63/1081065563.db2.gz JATSKOGJNFBDHL-QGZVFWFLSA-N 0 3 317.433 2.129 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCn1ccnc1C ZINC001268973799 1081070160 /nfs/dbraw/zinc/07/01/60/1081070160.db2.gz DDMKVYUYFXTQLU-IRXDYDNUSA-N 0 3 316.449 2.223 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)Cc2occc2C)C1 ZINC001665732618 1081072864 /nfs/dbraw/zinc/07/28/64/1081072864.db2.gz WNMOCFIKRISKIU-INIZCTEOSA-N 0 3 320.433 2.256 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCOCc1ccccc1 ZINC001268988882 1081076924 /nfs/dbraw/zinc/07/69/24/1081076924.db2.gz VIOCVESZYSWBOB-ROUUACIJSA-N 0 3 314.429 2.455 20 30 DEEDHN C#CCCCC(=O)NC1(CNCc2cncs2)CCCC1 ZINC001665919592 1081096928 /nfs/dbraw/zinc/09/69/28/1081096928.db2.gz ZQLXVJPHKRNHTM-UHFFFAOYSA-N 0 3 305.447 2.465 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCN(CCc2ccc(C)cc2)C1 ZINC001269096881 1081115714 /nfs/dbraw/zinc/11/57/14/1081115714.db2.gz GHPFFDIQGZQEDG-SFHVURJKSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)CNCc1cc2n(n1)CCCC2 ZINC001666519043 1081157669 /nfs/dbraw/zinc/15/76/69/1081157669.db2.gz AVPLBXURZTYFGK-AWEZNQCLSA-N 0 3 304.438 2.028 20 30 DEEDHN Cc1ocnc1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666864719 1081187570 /nfs/dbraw/zinc/18/75/70/1081187570.db2.gz HLZIMKQKKBOQHI-CQSZACIVSA-N 0 3 311.385 2.085 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001269272592 1081192105 /nfs/dbraw/zinc/19/21/05/1081192105.db2.gz LVQIOTDHXXYCIY-WMZOPIPTSA-N 0 3 314.429 2.457 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCCC[C@@H]1C ZINC001666914734 1081193076 /nfs/dbraw/zinc/19/30/76/1081193076.db2.gz WZCYGDGSTASSJW-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H](C)CNCc1ccns1 ZINC001667013844 1081202456 /nfs/dbraw/zinc/20/24/56/1081202456.db2.gz UHSRIQPPOWILFE-SNPRPXQTSA-N 0 3 323.462 2.061 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)c1oc(C)cc1C ZINC001667080557 1081208951 /nfs/dbraw/zinc/20/89/51/1081208951.db2.gz DWQFLQFWZCKCRJ-INIZCTEOSA-N 0 3 320.433 2.280 20 30 DEEDHN CC(C)[C@H](CNC(=O)c1ccncc1)NCC#Cc1ccccc1 ZINC001667431630 1081251756 /nfs/dbraw/zinc/25/17/56/1081251756.db2.gz UAFVFFOJVMZANY-IBGZPJMESA-N 0 3 321.424 2.477 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)COCc1ccccc1C ZINC001667633894 1081269332 /nfs/dbraw/zinc/26/93/32/1081269332.db2.gz DAPFBAHEJSKTAP-UHFFFAOYSA-N 0 3 304.434 2.478 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ocnc1C ZINC001667721326 1081279097 /nfs/dbraw/zinc/27/90/97/1081279097.db2.gz IVECMHXSEDLGBL-CABCVRRESA-N 0 3 303.406 2.161 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](OC)C(F)(F)F ZINC001269601080 1081303523 /nfs/dbraw/zinc/30/35/23/1081303523.db2.gz CMMJLXAUVQDPEO-AGIUHOORSA-N 0 3 320.355 2.205 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001668117125 1081317048 /nfs/dbraw/zinc/31/70/48/1081317048.db2.gz DBRLYSICBAPECN-GFCCVEGCSA-N 0 3 312.845 2.489 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@H](OCC)C(=C)C)C2)C1 ZINC001269693354 1081337256 /nfs/dbraw/zinc/33/72/56/1081337256.db2.gz UBISAVSYYSVXBE-HKUYNNGSSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@]2(CCN(CC#CC)C2)C1)OCC ZINC001269732189 1081346882 /nfs/dbraw/zinc/34/68/82/1081346882.db2.gz PSKPFCCFAQTVHU-IEBWSBKVSA-N 0 3 318.461 2.305 20 30 DEEDHN CC(C)(C)OCC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001668785890 1081397073 /nfs/dbraw/zinc/39/70/73/1081397073.db2.gz GQHKHPROGMYONV-SNAWJCMRSA-N 0 3 315.417 2.135 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001668922364 1081410272 /nfs/dbraw/zinc/41/02/72/1081410272.db2.gz IPOMOZHTMSCDED-WAYWQWQTSA-N 0 3 307.397 2.442 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001669399781 1081449510 /nfs/dbraw/zinc/44/95/10/1081449510.db2.gz NWUSACGLMIDRCO-FRFSOERESA-N 0 3 302.393 2.318 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001669446317 1081451563 /nfs/dbraw/zinc/45/15/63/1081451563.db2.gz FCAANASUTUOFAX-OAHLLOKOSA-N 0 3 321.424 2.263 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C(C)C ZINC001270128585 1081456192 /nfs/dbraw/zinc/45/61/92/1081456192.db2.gz JHHUCKDUOAHVLC-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1=CCCC1 ZINC001669536119 1081456988 /nfs/dbraw/zinc/45/69/88/1081456988.db2.gz SOINHIJUQNUNSN-AWEZNQCLSA-N 0 3 300.377 2.382 20 30 DEEDHN C#CCOCCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001270232361 1081480072 /nfs/dbraw/zinc/48/00/72/1081480072.db2.gz YGUUUNBHWFNRSX-UHFFFAOYSA-N 0 3 320.458 2.259 20 30 DEEDHN C#CCN(C(=O)C(C)(C)F)C1CCN(CCOC(C)C)CC1 ZINC001270279809 1081492819 /nfs/dbraw/zinc/49/28/19/1081492819.db2.gz 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/nfs/dbraw/zinc/53/01/86/1081530186.db2.gz ZMYBMNQKXGUMKU-MRXNPFEDSA-N 0 3 307.463 2.459 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001671692682 1081533964 /nfs/dbraw/zinc/53/39/64/1081533964.db2.gz CSHWVDHLXRZDPN-QGZVFWFLSA-N 0 3 304.438 2.116 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@](C)(CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001671743087 1081536523 /nfs/dbraw/zinc/53/65/23/1081536523.db2.gz ZTHLNMJLSXRTAF-SUMWQHHRSA-N 0 3 319.453 2.359 20 30 DEEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H](C)CCC)CC2)C1 ZINC001270520192 1081542663 /nfs/dbraw/zinc/54/26/63/1081542663.db2.gz KYJOOAYIJDTWTK-ZWKOTPCHSA-N 0 3 319.493 2.055 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001671962284 1081553554 /nfs/dbraw/zinc/55/35/54/1081553554.db2.gz FULSKQXVROODJB-CABCVRRESA-N 0 3 310.388 2.439 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001672044175 1081558918 /nfs/dbraw/zinc/55/89/18/1081558918.db2.gz HBRAUKQWBLMNSX-QAPCUYQASA-N 0 3 308.466 2.332 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)COCCC=C)C2)CC1 ZINC001672170317 1081564064 /nfs/dbraw/zinc/56/40/64/1081564064.db2.gz DZMZRUUFZQXYQM-GOSISDBHSA-N 0 3 318.461 2.163 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNCc2ncc(C)s2)C1 ZINC001672274544 1081576277 /nfs/dbraw/zinc/57/62/77/1081576277.db2.gz NLRMMLADVWAQFR-HIFRSBDPSA-N 0 3 319.474 2.439 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cccnn1 ZINC001672933658 1081723420 /nfs/dbraw/zinc/72/34/20/1081723420.db2.gz HSRPGAWAQJZEKX-UHFFFAOYSA-N 0 3 310.401 2.415 20 30 DEEDHN C#CCNC1(CNC(=O)C[C@@H](C)c2ccccc2OC)CCC1 ZINC001673229912 1081747826 /nfs/dbraw/zinc/74/78/26/1081747826.db2.gz DICGSPAFOSOOBU-OAHLLOKOSA-N 0 3 314.429 2.451 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CCO1 ZINC001673318713 1081754257 /nfs/dbraw/zinc/75/42/57/1081754257.db2.gz XXXYPXFWNRLMLM-MRXNPFEDSA-N 0 3 324.380 2.010 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N2CCN(CCC)CC2)C1 ZINC001673352818 1081757383 /nfs/dbraw/zinc/75/73/83/1081757383.db2.gz TZKLSLMIFISLQM-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNCc2cncn2C)CCCC1 ZINC001482371330 1081768303 /nfs/dbraw/zinc/76/83/03/1081768303.db2.gz AYVYDNABOZHHAP-HNNXBMFYSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCc1ccc(OC)cc1 ZINC001673486810 1081774944 /nfs/dbraw/zinc/77/49/44/1081774944.db2.gz OBBIBJCIOFMDBP-UHFFFAOYSA-N 0 3 302.418 2.041 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CCC)OCC)C2 ZINC001673650845 1081789629 /nfs/dbraw/zinc/78/96/29/1081789629.db2.gz NLRDLHAMVNDXJV-AEFFLSMTSA-N 0 3 306.450 2.139 20 30 DEEDHN Cc1cc(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@H]2C)on1 ZINC001482421084 1081809773 /nfs/dbraw/zinc/80/97/73/1081809773.db2.gz HETOHIFTWYNNHX-CZUORRHYSA-N 0 3 317.433 2.359 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2ccccn2)C(C)(C)C1 ZINC001674023911 1081828098 /nfs/dbraw/zinc/82/80/98/1081828098.db2.gz SNJVTQSKLMKVFM-INIZCTEOSA-N 0 3 301.434 2.417 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001270955953 1081856318 /nfs/dbraw/zinc/85/63/18/1081856318.db2.gz DFFPKUILJCGDIF-BPUTZDHNSA-N 0 3 320.383 2.376 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001270998818 1081869042 /nfs/dbraw/zinc/86/90/42/1081869042.db2.gz JEGNOPDXPNNTHY-GOSISDBHSA-N 0 3 317.433 2.368 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cnn3ccccc23)C1 ZINC001271000483 1081870306 /nfs/dbraw/zinc/87/03/06/1081870306.db2.gz XHMDOIOVAPTMME-IBGZPJMESA-N 0 3 324.428 2.190 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1(C(F)F)CC1 ZINC001674450130 1081873121 /nfs/dbraw/zinc/87/31/21/1081873121.db2.gz MIBKURHLZJFUKG-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN COc1cccc([C@@H](C)N(C)CCNC(=O)C#CC2CC2)c1 ZINC001480862610 1081924883 /nfs/dbraw/zinc/92/48/83/1081924883.db2.gz WVEHKVVSTZSVIR-CQSZACIVSA-N 0 3 300.402 2.218 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001266267365 1081927934 /nfs/dbraw/zinc/92/79/34/1081927934.db2.gz ZZEMEDMVJRPHCC-KRWDZBQOSA-N 0 3 319.493 2.267 20 30 DEEDHN CC(C)C#CC(=O)NCCN(C)Cc1cccc2cccnc21 ZINC001266273526 1081933016 /nfs/dbraw/zinc/93/30/16/1081933016.db2.gz VPTIYTOZUAIHFY-UHFFFAOYSA-N 0 3 309.413 2.442 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001271221285 1081993221 /nfs/dbraw/zinc/99/32/21/1081993221.db2.gz UQWGMLHVJHVUET-AWEZNQCLSA-N 0 3 314.838 2.144 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001266359459 1081997745 /nfs/dbraw/zinc/99/77/45/1081997745.db2.gz VZLDLYWVQSQAEF-GOSISDBHSA-N 0 3 316.445 2.239 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)/C=C(/C)C1CC1 ZINC001271247440 1081998785 /nfs/dbraw/zinc/99/87/85/1081998785.db2.gz RRCPGEOBWWTFCJ-KSVUCXBSSA-N 0 3 306.450 2.113 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2coc(C)n2)CC1 ZINC001266386357 1082012530 /nfs/dbraw/zinc/01/25/30/1082012530.db2.gz BRPWMOQLUWFNCZ-UHFFFAOYSA-N 0 3 303.406 2.323 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCOc1cccc(F)c1 ZINC001266468004 1082056763 /nfs/dbraw/zinc/05/67/63/1082056763.db2.gz HTCZGGZBFIZEBW-HNNXBMFYSA-N 0 3 306.381 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/nfs/dbraw/zinc/21/23/46/1082212346.db2.gz NCYLNRMYTYBCMQ-OAHLLOKOSA-N 0 3 306.454 2.253 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)C[C@@H](C)CCC)CC2)C1 ZINC001671597670 1082236604 /nfs/dbraw/zinc/23/66/04/1082236604.db2.gz AAXBRVGESWJRPH-IRXDYDNUSA-N 0 3 307.482 2.217 20 30 DEEDHN CC[C@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C#N)c1 ZINC001266645140 1082243616 /nfs/dbraw/zinc/24/36/16/1082243616.db2.gz YSMYBWUUDCOJFH-ZDUSSCGKSA-N 0 3 303.406 2.161 20 30 DEEDHN Cc1ncc(C(=O)N(C)CCNCc2ccc(C#N)cc2)s1 ZINC001266654617 1082252112 /nfs/dbraw/zinc/25/21/12/1082252112.db2.gz HVHHCXPWIAJIIN-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN C=CCOCC(=O)N(C)CCNCc1ccc(F)c(Cl)c1 ZINC001266657369 1082254640 /nfs/dbraw/zinc/25/46/40/1082254640.db2.gz WHJVXZOCTRNDMC-UHFFFAOYSA-N 0 3 314.788 2.230 20 30 DEEDHN C[C@H]1C[C@H]1C(=O)N(C)CCN(C)Cc1ccc(OCC#N)cc1 ZINC001482576598 1082261633 /nfs/dbraw/zinc/26/16/33/1082261633.db2.gz AGAOSQCPGIKIQE-WMLDXEAASA-N 0 3 315.417 2.135 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266679006 1082276832 /nfs/dbraw/zinc/27/68/32/1082276832.db2.gz VXMOZXLHUMBSEY-IXDOHACOSA-N 0 3 314.404 2.460 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001266761115 1082327608 /nfs/dbraw/zinc/32/76/08/1082327608.db2.gz UMRBNVYGBDVEAN-CYBMUJFWSA-N 0 3 322.811 2.483 20 30 DEEDHN C=CCC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCO)CCCC1 ZINC001272054346 1082341706 /nfs/dbraw/zinc/34/17/06/1082341706.db2.gz UWPBIRLEMXMLAK-CVEARBPZSA-N 0 3 306.450 2.181 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2ccccc21 ZINC001266821874 1082371097 /nfs/dbraw/zinc/37/10/97/1082371097.db2.gz BBUGUTQWEMVYKF-LJQANCHMSA-N 0 3 319.408 2.446 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001266855791 1082399793 /nfs/dbraw/zinc/39/97/93/1082399793.db2.gz FYKNINLTPFDKGD-DOTOQJQBSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(C(C)C)nc1C ZINC001482631651 1082423898 /nfs/dbraw/zinc/42/38/98/1082423898.db2.gz CYTCKVQDKXDTHC-UHFFFAOYSA-N 0 3 304.438 2.488 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001266894984 1082436838 /nfs/dbraw/zinc/43/68/38/1082436838.db2.gz YHCJCXCVPHSCMG-MSOLQXFVSA-N 0 3 318.461 2.047 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC(F)(F)C(F)F)C1 ZINC001266895754 1082437751 /nfs/dbraw/zinc/43/77/51/1082437751.db2.gz SLYQBAIFANTDIC-MNOVXSKESA-N 0 3 308.319 2.127 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H]1C[C@H]1C ZINC001482907947 1082551069 /nfs/dbraw/zinc/55/10/69/1082551069.db2.gz DQYYBLPPIRKDSV-DOMZBBRYSA-N 0 3 303.381 2.291 20 30 DEEDHN CC[C@@H](C)C(=O)NC/C=C\CNCc1ccc(OC)c(C#N)c1 ZINC001482980152 1082594429 /nfs/dbraw/zinc/59/44/29/1082594429.db2.gz IHILCABFTKIUAA-GEXIGZQTSA-N 0 3 315.417 2.375 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(C)nn(CC)c1Cl ZINC001272171599 1082612784 /nfs/dbraw/zinc/61/27/84/1082612784.db2.gz AXFVLQLXLDYPSF-UHFFFAOYSA-N 0 3 312.845 2.445 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001483013143 1082623774 /nfs/dbraw/zinc/62/37/74/1082623774.db2.gz UFUPSZCATQHBDG-BDUNBXCCSA-N 0 3 304.434 2.035 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(C)nc2ccccc21 ZINC001483090587 1082701778 /nfs/dbraw/zinc/70/17/78/1082701778.db2.gz YZMFSIQFVXWQLJ-BQYQJAHWSA-N 0 3 307.397 2.442 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)Cc1ccoc1 ZINC001483123384 1082735589 /nfs/dbraw/zinc/73/55/89/1082735589.db2.gz MDMUFCRHFMGFNQ-CQSZACIVSA-N 0 3 314.360 2.107 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(C#N)s2)on1 ZINC001409278126 1082738955 /nfs/dbraw/zinc/73/89/55/1082738955.db2.gz FMSRMPFCTKYKKE-MNOVXSKESA-N 0 3 318.402 2.213 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC001483147958 1082775828 /nfs/dbraw/zinc/77/58/28/1082775828.db2.gz ZERBTXXQNNMVDU-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1ccc(OC)nc1 ZINC001483156494 1082780681 /nfs/dbraw/zinc/78/06/81/1082780681.db2.gz OWXQHECRWCCHEG-CYBMUJFWSA-N 0 3 305.422 2.287 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)[C@H](c1ccccc1)C(C)C ZINC001483170859 1082789743 /nfs/dbraw/zinc/78/97/43/1082789743.db2.gz VTPBXHVUJMULEA-AEFFLSMTSA-N 0 3 316.445 2.170 20 30 DEEDHN CC[C@H](CC1CCCC1)C(=O)N[C@H](C)CNCC#CCOC ZINC001483172962 1082789853 /nfs/dbraw/zinc/78/98/53/1082789853.db2.gz ZNKNBETVCOERGG-NVXWUHKLSA-N 0 3 308.466 2.337 20 30 DEEDHN C[C@@H](C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1)C1CC1 ZINC001483216505 1082817580 /nfs/dbraw/zinc/81/75/80/1082817580.db2.gz LAQZLZMVYPGNNX-NWDGAFQWSA-N 0 3 303.381 2.338 20 30 DEEDHN CCc1ccnc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)c1 ZINC001483229657 1082837342 /nfs/dbraw/zinc/83/73/42/1082837342.db2.gz FFSKIQNJAVXUIP-INIZCTEOSA-N 0 3 321.424 2.404 20 30 DEEDHN CCc1cccc(OCCN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c1 ZINC001483320266 1083099266 /nfs/dbraw/zinc/09/92/66/1083099266.db2.gz UHPBFRJNIVZOQF-LSDHHAIUSA-N 0 3 317.433 2.224 20 30 DEEDHN CCc1cccc(OCCN(C)C[C@H](C)NC(=O)[C@@H](C)C#N)c1 ZINC001483320264 1083099530 /nfs/dbraw/zinc/09/95/30/1083099530.db2.gz UHPBFRJNIVZOQF-GJZGRUSLSA-N 0 3 317.433 2.224 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)COC(C)(C)C ZINC001483327518 1083102913 /nfs/dbraw/zinc/10/29/13/1083102913.db2.gz JNQYFNYRNIWAQX-CQSZACIVSA-N 0 3 317.433 2.310 20 30 DEEDHN CC(C)COC(=O)N1CCC(NCC2(C#N)CCOCC2)CC1 ZINC001413174162 1083410667 /nfs/dbraw/zinc/41/06/67/1083410667.db2.gz GBDTVCXARCNUTD-UHFFFAOYSA-N 0 3 323.437 2.153 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)CC1 ZINC001077625208 1083486993 /nfs/dbraw/zinc/48/69/93/1083486993.db2.gz VMSLDTBKROJZDQ-QZTJIDSGSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CN(C)CCC)CCC1 ZINC001077665411 1083635821 /nfs/dbraw/zinc/63/58/21/1083635821.db2.gz SDETWAPUSFWRTD-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001276883796 1083662716 /nfs/dbraw/zinc/66/27/16/1083662716.db2.gz MYFFASPBXDCXQV-OLZOCXBDSA-N 0 3 313.405 2.068 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H](CNCc3nccn3C)C2)CCC1 ZINC001277040062 1083743591 /nfs/dbraw/zinc/74/35/91/1083743591.db2.gz QVOOCJKPDQXOLF-SHTZXODSSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001077729561 1083757891 /nfs/dbraw/zinc/75/78/91/1083757891.db2.gz DGLKMYMZNAAKSR-ILOCAZANSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c3ccccc23)C1 ZINC001077746294 1083790416 /nfs/dbraw/zinc/79/04/16/1083790416.db2.gz NLRVGENZRZIOKH-RTBURBONSA-N 0 3 324.424 2.499 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001077751644 1083797965 /nfs/dbraw/zinc/79/79/65/1083797965.db2.gz ARKOBRCKZDDUOU-CGTJXYLNSA-N 0 3 316.445 2.226 20 30 DEEDHN C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3cncs3)C2)C1=O ZINC001272751679 1083808140 /nfs/dbraw/zinc/80/81/40/1083808140.db2.gz JSZAFKWQFFDZHP-MRXNPFEDSA-N 0 3 319.430 2.060 20 30 DEEDHN C=CCNC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001277173905 1083828007 /nfs/dbraw/zinc/82/80/07/1083828007.db2.gz MOXGONGOCBNYCU-RYUDHWBXSA-N 0 3 305.344 2.373 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001490957595 1083972099 /nfs/dbraw/zinc/97/20/99/1083972099.db2.gz WDEIJZKEQYFIIM-OWYVNGRQSA-N 0 3 324.856 2.194 20 30 DEEDHN Cc1ccccc1CN1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001277469429 1083987716 /nfs/dbraw/zinc/98/77/16/1083987716.db2.gz HTZIVGMLZDMPDK-MJGOQNOKSA-N 0 3 309.413 2.332 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001277537594 1084025046 /nfs/dbraw/zinc/02/50/46/1084025046.db2.gz HTHKASZZCZZBKR-LJQANCHMSA-N 0 3 312.413 2.013 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001491060561 1084037857 /nfs/dbraw/zinc/03/78/57/1084037857.db2.gz WAWBFQDBOBLXAO-SDDRHHMPSA-N 0 3 303.244 2.424 20 30 DEEDHN C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)c1cc[nH]c1 ZINC001272789966 1084060118 /nfs/dbraw/zinc/06/01/18/1084060118.db2.gz GXUNFPKGYPSZCF-GFCCVEGCSA-N 0 3 314.364 2.324 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CCOC)CCC2)C1 ZINC001491129126 1084095337 /nfs/dbraw/zinc/09/53/37/1084095337.db2.gz PTFWBWRVLFZXGB-INIZCTEOSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001491132971 1084103464 /nfs/dbraw/zinc/10/34/64/1084103464.db2.gz IEVSCCIZVKPEFN-SNVBAGLBSA-N 0 3 312.282 2.036 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001491134653 1084105571 /nfs/dbraw/zinc/10/55/71/1084105571.db2.gz XNJJZNTUORCBHB-KRWDZBQOSA-N 0 3 317.433 2.003 20 30 DEEDHN Cn1cc(CN2C[C@@H]3CCN(c4ccccn4)[C@@H]3C2)cc1C#N ZINC001277752169 1084126862 /nfs/dbraw/zinc/12/68/62/1084126862.db2.gz DDSUUWMHHYAUGV-DOTOQJQBSA-N 0 3 307.401 2.002 20 30 DEEDHN C=CCCCN1CCc2nc(C(=O)Nc3cn[nH]c3)ccc2C1 ZINC001277758703 1084133110 /nfs/dbraw/zinc/13/31/10/1084133110.db2.gz UZCHCLURBFQROA-UHFFFAOYSA-N 0 3 311.389 2.381 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC1CCCCC1 ZINC001277772032 1084140672 /nfs/dbraw/zinc/14/06/72/1084140672.db2.gz URMASLFLWSBRHN-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCC(C)C)C[C@H]2OC)CCC1 ZINC001212393578 1084181460 /nfs/dbraw/zinc/18/14/60/1084181460.db2.gz RGDITFGQCRLXOA-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cn(C)c3ncccc23)C1=O ZINC001272822578 1084262715 /nfs/dbraw/zinc/26/27/15/1084262715.db2.gz WLLCYBXNUQBFTJ-LJQANCHMSA-N 0 3 324.428 2.326 20 30 DEEDHN CC[C@H](F)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277915617 1084269107 /nfs/dbraw/zinc/26/91/07/1084269107.db2.gz BKHVHGJTFKZYEM-IRXDYDNUSA-N 0 3 302.393 2.367 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCNCC(=O)N(C(C)C)C(C)C ZINC001128085441 1084294486 /nfs/dbraw/zinc/29/44/86/1084294486.db2.gz SYWZEFLHDGHLOU-UHFFFAOYSA-N 0 3 323.481 2.106 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001491425186 1084301719 /nfs/dbraw/zinc/30/17/19/1084301719.db2.gz WORJLQYPMANPHU-LLVKDONJSA-N 0 3 314.364 2.242 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001168637553 1084330087 /nfs/dbraw/zinc/33/00/87/1084330087.db2.gz GVONBSJTDVBKMX-ZDUSSCGKSA-N 0 3 324.856 2.152 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)CCCC)C2)n1 ZINC001128102539 1084351229 /nfs/dbraw/zinc/35/12/29/1084351229.db2.gz RXWQWYCCLLIPFW-MRXNPFEDSA-N 0 3 316.449 2.242 20 30 DEEDHN N#C[C@H]1C[C@H]1C(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001272885797 1084424422 /nfs/dbraw/zinc/42/44/22/1084424422.db2.gz AXTOHGLKZQSNHA-VXGBXAGGSA-N 0 3 315.339 2.023 20 30 DEEDHN C=CCCC(=O)NCCCN(C)C[C@@H]1COc2ccccc2O1 ZINC001235451280 1084435830 /nfs/dbraw/zinc/43/58/30/1084435830.db2.gz FXLGDASFKZMANZ-OAHLLOKOSA-N 0 3 318.417 2.231 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cc(C)no2)C12CCC2 ZINC001078550631 1084744725 /nfs/dbraw/zinc/74/47/25/1084744725.db2.gz GUXPTBHYYMKINZ-OLZOCXBDSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cnnc(C)c2)C12CCC2 ZINC001078609795 1084767861 /nfs/dbraw/zinc/76/78/61/1084767861.db2.gz ZMUODXMIEUGSMK-ZIAGYGMSSA-N 0 3 320.824 2.168 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc(Cl)c(Cl)n1C ZINC001485882848 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COCCN1CCC[C@@H](NC(=O)CC#Cc2ccccc2)[C@H]1C ZINC001486186992 1085115680 /nfs/dbraw/zinc/11/56/80/1085115680.db2.gz RHVUPUVHOIDYFW-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1ccnc1C ZINC000960329039 1085199655 /nfs/dbraw/zinc/19/96/55/1085199655.db2.gz HZQNFBGAHJHJDS-IEBWSBKVSA-N 0 3 324.428 2.139 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1OCC=C ZINC001272942644 1085209157 /nfs/dbraw/zinc/20/91/57/1085209157.db2.gz RMXPMVGNTFRDMD-QZTJIDSGSA-N 0 3 324.424 2.450 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(-c2ccccc2)o1 ZINC000960418725 1085268450 /nfs/dbraw/zinc/26/84/50/1085268450.db2.gz CZBHNLUHWNCTCB-FOLVSLTJSA-N 0 3 309.369 2.188 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc2cccnc2c1 ZINC000960523421 1085335696 /nfs/dbraw/zinc/33/56/96/1085335696.db2.gz WTMAPKCDDHYBEN-MNZLEMJZSA-N 0 3 307.397 2.010 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C1CC(NCc2cc(OC)ns2)C1 ZINC001486473288 1085353280 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/nfs/dbraw/zinc/15/01/49/1091150149.db2.gz KXSSMHQBBQVUOP-GOSISDBHSA-N 0 3 310.401 2.316 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001274299449 1091174858 /nfs/dbraw/zinc/17/48/58/1091174858.db2.gz ALTMRZIDYAECBT-INIZCTEOSA-N 0 3 312.413 2.052 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1cc2occc2s1 ZINC001274361639 1091207380 /nfs/dbraw/zinc/20/73/80/1091207380.db2.gz SZFAHXBHHDTTJA-NSCUHMNNSA-N 0 3 318.398 2.020 20 30 DEEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1c[nH]nc1CC)CC2 ZINC001274381250 1091218132 /nfs/dbraw/zinc/21/81/32/1091218132.db2.gz MYEPJCHGLNFOHN-HNNXBMFYSA-N 0 3 316.449 2.267 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CCN(CC#CC)CC1(C)C ZINC001274425701 1091236483 /nfs/dbraw/zinc/23/64/83/1091236483.db2.gz OUAMBLFMTSOTRW-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C(C)(C)C1 ZINC001274437215 1091241191 /nfs/dbraw/zinc/24/11/91/1091241191.db2.gz RYUPATKCAKRMOG-ZBFHGGJFSA-N 0 3 318.465 2.230 20 30 DEEDHN C#CCN1c2ccccc2[C@@]2(CCN(Cc3cnsc3)C2)C1=O ZINC001274516938 1091281117 /nfs/dbraw/zinc/28/11/17/1091281117.db2.gz WDTOQVGSBONBPZ-SFHVURJKSA-N 0 3 323.421 2.267 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)c(CC)c1 ZINC001274602766 1091319849 /nfs/dbraw/zinc/31/98/49/1091319849.db2.gz STDHLGYWVYDJGS-RTBURBONSA-N 0 3 321.424 2.319 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(C)cc3C#N)C2)C1=O ZINC001274808301 1091428643 /nfs/dbraw/zinc/42/86/43/1091428643.db2.gz WUJVISCMSVVCLI-IBGZPJMESA-N 0 3 309.413 2.477 20 30 DEEDHN CC[C@@H](C)C(=O)N1CCC2(CCN(CC#CCOC)CC2)CC1 ZINC001274879407 1091461968 /nfs/dbraw/zinc/46/19/68/1091461968.db2.gz XYFLVHXVUMHTJT-QGZVFWFLSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNCc1ccccc1F ZINC001274951796 1091486750 /nfs/dbraw/zinc/48/67/50/1091486750.db2.gz VUBCRSVKDBIDMI-KMFMINBZSA-N 0 3 320.408 2.401 20 30 DEEDHN C/C=C(/C)C(=O)N[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001275112562 1091560220 /nfs/dbraw/zinc/56/02/20/1091560220.db2.gz HXDJAMOXQODTEE-XLVZXTRVSA-N 0 3 301.390 2.127 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1nn(C)c2c1CCCC2 ZINC001275142753 1091582439 /nfs/dbraw/zinc/58/24/39/1091582439.db2.gz DCWOCPZUZZZQON-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN CCN1C[C@H](NC(=O)c2ccc(C#N)c(OC)c2)C(C)(C)C1 ZINC001412684577 1091679731 /nfs/dbraw/zinc/67/97/31/1091679731.db2.gz BVTNXZKCIYATND-HNNXBMFYSA-N 0 3 301.390 2.027 20 30 DEEDHN CCn1ccnc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001275396884 1091713977 /nfs/dbraw/zinc/71/39/77/1091713977.db2.gz ZQQVTSBPKBNXEB-HZPDHXFCSA-N 0 3 324.428 2.051 20 30 DEEDHN CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccn[nH]1 ZINC001276251760 1091740871 /nfs/dbraw/zinc/74/08/71/1091740871.db2.gz WFCAMTBJBRRXRD-KRWDZBQOSA-N 0 3 324.428 2.340 20 30 DEEDHN CCCC[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccn[nH]1 ZINC001276251761 1091740892 /nfs/dbraw/zinc/74/08/92/1091740892.db2.gz WFCAMTBJBRRXRD-QGZVFWFLSA-N 0 3 324.428 2.340 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001490828951 1091777923 /nfs/dbraw/zinc/77/79/23/1091777923.db2.gz JOSKLFRJYGVTOU-HNNXBMFYSA-N 0 3 314.433 2.285 20 30 DEEDHN CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 ZINC001275525610 1091829704 /nfs/dbraw/zinc/82/97/04/1091829704.db2.gz RSSHUXCRJZCCIO-KBPBESRZSA-N 0 3 323.318 2.496 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)[C@@H]1C ZINC001178577163 1091856236 /nfs/dbraw/zinc/85/62/36/1091856236.db2.gz RBDILRKIYHNRPT-BBRMVZONSA-N 0 3 303.381 2.103 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N(CCn1ccnc1)C2 ZINC001273487432 1091879192 /nfs/dbraw/zinc/87/91/92/1091879192.db2.gz KDRZEECMDVEGOK-SFHVURJKSA-N 0 3 316.449 2.306 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001273498358 1091886078 /nfs/dbraw/zinc/88/60/78/1091886078.db2.gz GBPDXWZHXGKJDC-IRXDYDNUSA-N 0 3 320.477 2.313 20 30 DEEDHN C#CCCCN1CCCC[C@]12CC(=O)N(CC1CCOCC1)C2 ZINC001273542787 1091913357 /nfs/dbraw/zinc/91/33/57/1091913357.db2.gz NGFFMXACNYQQBP-LJQANCHMSA-N 0 3 318.461 2.283 20 30 DEEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1ccc2nonc2c1 ZINC001273546628 1091917010 /nfs/dbraw/zinc/91/70/10/1091917010.db2.gz PWFQSCIZNRHPHX-UHFFFAOYSA-N 0 3 316.405 2.373 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccnc(OCC)c2)CC1 ZINC000948763707 1091922049 /nfs/dbraw/zinc/92/20/49/1091922049.db2.gz ZGPVSUBCXHMAEI-INIZCTEOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2noc3c2CCCC3)CC1 ZINC000948804147 1091946488 /nfs/dbraw/zinc/94/64/88/1091946488.db2.gz DKYNSWUTKVBZPX-AWEZNQCLSA-N 0 3 315.417 2.113 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000948812133 1091951328 /nfs/dbraw/zinc/95/13/28/1091951328.db2.gz HCBFCJALTOPZTB-HNNXBMFYSA-N 0 3 315.417 2.045 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCN(CC#N)CC1 ZINC000948829396 1091960562 /nfs/dbraw/zinc/96/05/62/1091960562.db2.gz MJRCDGCMRZGFLE-DLBZAZTESA-N 0 3 320.481 2.086 20 30 DEEDHN C=CCN1C[C@@]2(CCN(C[C@H](C)CC(F)(F)F)C2)OCC1=O ZINC001273748388 1092027293 /nfs/dbraw/zinc/02/72/93/1092027293.db2.gz ZCAZFBBFNAHPNH-OCCSQVGLSA-N 0 3 320.355 2.064 20 30 DEEDHN C#Cc1cccc(CN2CC[C@@]3(C2)CN(CC(=C)C)C(=O)CO3)c1 ZINC001273800644 1092066951 /nfs/dbraw/zinc/06/69/51/1092066951.db2.gz RXNGXAURANYNFT-HXUWFJFHSA-N 0 3 324.424 2.047 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cccn1CC)CCO2 ZINC000949244703 1092078590 /nfs/dbraw/zinc/07/85/90/1092078590.db2.gz VMNPUOHJYAGQKR-UHFFFAOYSA-N 0 3 317.433 2.001 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCC[C@H]1CNCc1cnns1 ZINC001275754370 1092081374 /nfs/dbraw/zinc/08/13/74/1092081374.db2.gz BGOBVFOUCGXXGO-ZFWWWQNUSA-N 0 3 320.462 2.106 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H](F)C3)CC2)C1 ZINC000949454119 1092151862 /nfs/dbraw/zinc/15/18/62/1092151862.db2.gz DBAQMDBWOGIVHE-HZPDHXFCSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3CC4(CC4)C3)CC2)C1 ZINC000949471029 1092160394 /nfs/dbraw/zinc/16/03/94/1092160394.db2.gz ONNGFCFCKXPJDL-UHFFFAOYSA-N 0 3 318.461 2.446 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001487805556 1092222892 /nfs/dbraw/zinc/22/28/92/1092222892.db2.gz QHAXCYXAQJIAQY-PBHICJAKSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001488188869 1092383474 /nfs/dbraw/zinc/38/34/74/1092383474.db2.gz AFTNQGKLDKGEME-HUUCEWRRSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1[nH]c(C)nc1C)CC2 ZINC001273907703 1092501919 /nfs/dbraw/zinc/50/19/19/1092501919.db2.gz PGSJLENRSIXMSW-UHFFFAOYSA-N 0 3 316.449 2.417 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC[C@@H](F)CC)C2)C1 ZINC001273911242 1092503239 /nfs/dbraw/zinc/50/32/39/1092503239.db2.gz NIHNAUGNDKAEHY-YOEHRIQHSA-N 0 3 312.429 2.034 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)c2ccncc2F)cc1 ZINC001273927362 1092519196 /nfs/dbraw/zinc/51/91/96/1092519196.db2.gz FEFAULPTJUQFHA-OWOJBTEDSA-N 0 3 324.359 2.168 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001273935677 1092523470 /nfs/dbraw/zinc/52/34/70/1092523470.db2.gz HKBOTTKURWAAOJ-SJLPKXTDSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Oc1ccccn1 ZINC001488684204 1092683438 /nfs/dbraw/zinc/68/34/38/1092683438.db2.gz VOIKZKYQMZREJN-JKSUJKDBSA-N 0 3 317.433 2.348 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NC(=O)CN(C)CCC)CC[C@H]1C ZINC001488694089 1092691641 /nfs/dbraw/zinc/69/16/41/1092691641.db2.gz VWKMFQHJNCOXLB-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001488761526 1092736799 /nfs/dbraw/zinc/73/67/99/1092736799.db2.gz NXTJXSWFNBDURQ-GASCZTMLSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001488846480 1092776704 /nfs/dbraw/zinc/77/67/04/1092776704.db2.gz JRYSJVZMKFKXSX-HAQNSBGRSA-N 0 3 308.451 2.043 20 30 DEEDHN C=C(C)[C@H](CC(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC)OCC ZINC001489118838 1092929444 /nfs/dbraw/zinc/92/94/44/1092929444.db2.gz RRMKSHXFKGDDIR-BBWFWOEESA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC001489174173 1092945291 /nfs/dbraw/zinc/94/52/91/1092945291.db2.gz PIBZHBRSABLDNM-QGZVFWFLSA-N 0 3 320.477 2.284 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001489288457 1093004212 /nfs/dbraw/zinc/00/42/12/1093004212.db2.gz DNUDBQANJMANCO-LMPOIIKSSA-N 0 3 312.429 2.296 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCOc2ccccc2F)[C@H]1C ZINC001489305368 1093009865 /nfs/dbraw/zinc/00/98/65/1093009865.db2.gz DXPHIFIIFGYMBH-HIFRSBDPSA-N 0 3 306.381 2.360 20 30 DEEDHN CCN(CCCNC(=O)C1CC1)Cc1cc(C#N)ccc1OC ZINC001490312326 1093304164 /nfs/dbraw/zinc/30/41/64/1093304164.db2.gz OFJVQYYJNJCZOA-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001490413122 1093369963 /nfs/dbraw/zinc/36/99/63/1093369963.db2.gz TYWMDGKQQVLCCT-HUUCEWRRSA-N 0 3 312.429 2.250 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)Cc2cc(C)on2)CC1 ZINC001490612270 1093445200 /nfs/dbraw/zinc/44/52/00/1093445200.db2.gz DNVOQBUNXMSVDJ-UHFFFAOYSA-N 0 3 305.422 2.415 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cn2ccnc2)CC1 ZINC001490623170 1093450193 /nfs/dbraw/zinc/45/01/93/1093450193.db2.gz JXRSVARQAFMKTL-UHFFFAOYSA-N 0 3 304.438 2.162 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001274026876 1093773101 /nfs/dbraw/zinc/77/31/01/1093773101.db2.gz UCZWLZWOQOQOJC-XEVLESSRSA-N 0 3 302.443 2.445 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)[C@H]1CCC=CCCC1 ZINC001274120164 1093807112 /nfs/dbraw/zinc/80/71/12/1093807112.db2.gz VVOHUDIJLKGMIN-AQUPBUMZSA-N 0 3 304.434 2.035 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cccn1 ZINC001691717215 1138210859 /nfs/dbraw/zinc/21/08/59/1138210859.db2.gz GVSKKPZJKXAQQF-UKRRQHHQSA-N 0 3 324.856 2.242 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COc1ccccc1Cl ZINC001278009663 1138427085 /nfs/dbraw/zinc/42/70/85/1138427085.db2.gz BRBVPVAHBYWMKE-ZDUSSCGKSA-N 0 3 308.809 2.179 20 30 DEEDHN Cn1cc(CN2CCC[C@]3(CCNC3=O)C2)c2cc(C#N)ccc21 ZINC001237464363 1138644463 /nfs/dbraw/zinc/64/44/63/1138644463.db2.gz AEVZYKWDLSDCPV-IBGZPJMESA-N 0 3 322.412 2.152 20 30 DEEDHN COCCN(CCOC)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237467336 1138646472 /nfs/dbraw/zinc/64/64/72/1138646472.db2.gz UIFOTWOKPOBVQP-UHFFFAOYSA-N 0 3 301.390 2.145 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CO)NCc1cc(C)cc(C)c1 ZINC001278148424 1138796389 /nfs/dbraw/zinc/79/63/89/1138796389.db2.gz VDEXTWNPYWYRER-IEBWSBKVSA-N 0 3 318.461 2.472 20 30 DEEDHN C#CCN(C(=O)[C@@H](CCC)OCC)C1CCN(CC=C)CC1 ZINC001278176907 1138816087 /nfs/dbraw/zinc/81/60/87/1138816087.db2.gz DHVGSFIJODBCHT-QGZVFWFLSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCN(C(=O)c1ccc(OC)cc1)C1CCN(CC=C)CC1 ZINC001278193964 1138826305 /nfs/dbraw/zinc/82/63/05/1138826305.db2.gz DOEFOEHBTSQLGU-UHFFFAOYSA-N 0 3 312.413 2.421 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCO[C@@H](CC)C1)C1CCN(CC=C)CC1 ZINC001278194531 1138826557 /nfs/dbraw/zinc/82/65/57/1138826557.db2.gz PTPBVRSFKPZISA-WMZOPIPTSA-N 0 3 318.461 2.304 20 30 DEEDHN COCCN(C)Cc1ccnc(-c2cnc(C#N)c(F)c2)c1 ZINC001238991709 1138895831 /nfs/dbraw/zinc/89/58/31/1138895831.db2.gz ALGLDAVSVKFUCF-UHFFFAOYSA-N 0 3 300.337 2.233 20 30 DEEDHN CCCCCCCCOC(=O)NC1(CC(=O)OCC)CNC1 ZINC001239320791 1139020186 /nfs/dbraw/zinc/02/01/86/1139020186.db2.gz BBTJMFKYDOKDNQ-UHFFFAOYSA-N 0 3 314.426 2.368 20 30 DEEDHN Cc1nn(C)cc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240301872 1139325323 /nfs/dbraw/zinc/32/53/23/1139325323.db2.gz USPBDCFVMHKMCO-NSHDSACASA-N 0 3 313.361 2.134 20 30 DEEDHN Cc1cnc(C#N)c(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC001240398493 1139357821 /nfs/dbraw/zinc/35/78/21/1139357821.db2.gz WJXCRCLDXZFQFA-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001295894825 1139625544 /nfs/dbraw/zinc/62/55/44/1139625544.db2.gz KRTLZGCDTHNLSM-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001296107635 1139709448 /nfs/dbraw/zinc/70/94/48/1139709448.db2.gz APQTXAWRACIQQO-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)COCCC)C2 ZINC001278336302 1139854076 /nfs/dbraw/zinc/85/40/76/1139854076.db2.gz PPVKXMHGULKENO-GOSISDBHSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001297372676 1139863894 /nfs/dbraw/zinc/86/38/94/1139863894.db2.gz ANRJOQXEODZSSI-OLZOCXBDSA-N 0 3 322.371 2.453 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(Cl)nc(NC)c1 ZINC001297378895 1139864986 /nfs/dbraw/zinc/86/49/86/1139864986.db2.gz JMVLGLVQFHPBSX-UHFFFAOYSA-N 0 3 310.829 2.357 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)COc2ccsc2)C1 ZINC001318484836 1140345286 /nfs/dbraw/zinc/34/52/86/1140345286.db2.gz LTWJQMDGYHIZQM-CQSZACIVSA-N 0 3 306.431 2.073 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](CC)N[C@@H](C)C(=O)NC)CCCCC1 ZINC001318604688 1140371571 /nfs/dbraw/zinc/37/15/71/1140371571.db2.gz FEWTYGOEWUBISS-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1ccc(C(=O)N(C)[C@@H](C)CNCC#Cc2ccccc2)n1C ZINC001319426434 1140569293 /nfs/dbraw/zinc/56/92/93/1140569293.db2.gz XXSRBVZOSRIDAO-KRWDZBQOSA-N 0 3 323.440 2.435 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC1(C)CCCC1 ZINC001319450891 1140579177 /nfs/dbraw/zinc/57/91/77/1140579177.db2.gz BQDBQIOGRYDLBL-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001319461370 1140583977 /nfs/dbraw/zinc/58/39/77/1140583977.db2.gz BLDZUIKKJBENCB-LSDHHAIUSA-N 0 3 323.481 2.179 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)/C=C\c1ccco1 ZINC001319603964 1140623656 /nfs/dbraw/zinc/62/36/56/1140623656.db2.gz UKPFPKJCQLYIAG-QWGSZXSUSA-N 0 3 318.417 2.063 20 30 DEEDHN C=CCN1CC[C@@](C)(NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001278406599 1140646648 /nfs/dbraw/zinc/64/66/48/1140646648.db2.gz YUGPTFSXYQZCLI-LJQANCHMSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)CCN(C)C[C@@H](O)CC(F)(F)F ZINC001320007271 1140812298 /nfs/dbraw/zinc/81/22/98/1140812298.db2.gz LSDCLQIRDSMSFI-LBPRGKRZSA-N 0 3 324.387 2.292 20 30 DEEDHN Cc1ncoc1CNC[C@@H]1CCC[C@H]1NC(=O)C#CC(C)C ZINC001320130296 1140826109 /nfs/dbraw/zinc/82/61/09/1140826109.db2.gz BWYQAXSJSUBMDA-LSDHHAIUSA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCCC(=O)NC[C@@H](O)CNCc1ccc(F)c(Cl)c1 ZINC001320205059 1140838718 /nfs/dbraw/zinc/83/87/18/1140838718.db2.gz ROCQOUPMNNNFDK-LBPRGKRZSA-N 0 3 314.788 2.012 20 30 DEEDHN C=CCOc1ccccc1[C@@H](C)N[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246319337 1140883910 /nfs/dbraw/zinc/88/39/10/1140883910.db2.gz WCPGZBHMBJAJFW-YCPHGPKFSA-N 0 3 318.417 2.196 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CC)CCNCc1cc(F)ccc1C ZINC001320735277 1140902792 /nfs/dbraw/zinc/90/27/92/1140902792.db2.gz WGHXFVPYXBAEPV-HNNXBMFYSA-N 0 3 320.408 2.111 20 30 DEEDHN C=C(C)CCC(=O)N(CC)CCNCC(=O)N1CCCC[C@@H]1C ZINC001320745566 1140906169 /nfs/dbraw/zinc/90/61/69/1140906169.db2.gz GIKDMEGLTJMXOR-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=Cc1ccc(C(=O)N(CC)CCNCC#CCOC)cc1 ZINC001320849514 1140953526 /nfs/dbraw/zinc/95/35/26/1140953526.db2.gz ALZPIJNTWMSCQU-UHFFFAOYSA-N 0 3 300.402 2.031 20 30 DEEDHN C=CCO[C@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC001321159981 1141070577 /nfs/dbraw/zinc/07/05/77/1141070577.db2.gz UTNDVODKMZZHFL-LSDHHAIUSA-N 0 3 309.454 2.093 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321500830 1141288247 /nfs/dbraw/zinc/28/82/47/1141288247.db2.gz IOZULQWAODHGOB-CABCVRRESA-N 0 3 320.408 2.087 20 30 DEEDHN CCn1cccc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001321745967 1141336781 /nfs/dbraw/zinc/33/67/81/1141336781.db2.gz CWNKLSMVJJHLGX-MRXNPFEDSA-N 0 3 309.413 2.268 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1ccc(C(C)(C)C)s1 ZINC001322083156 1141390845 /nfs/dbraw/zinc/39/08/45/1141390845.db2.gz OOCMFYFCBQBDQB-ZDUSSCGKSA-N 0 3 322.474 2.403 20 30 DEEDHN COC1(Cc2nc(-c3ccc(C#N)c4ccccc34)no2)CNC1 ZINC001247767422 1141498853 /nfs/dbraw/zinc/49/88/53/1141498853.db2.gz TXLZQRDGYSFJGK-UHFFFAOYSA-N 0 3 320.352 2.292 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC001323041684 1141804763 /nfs/dbraw/zinc/80/47/63/1141804763.db2.gz HUEPRXSBGHISKH-MJBXVCDLSA-N 0 3 309.410 2.209 20 30 DEEDHN CCc1cc(C#N)ccc1CN1CCC(NC(=O)NC)CC1 ZINC001248753277 1141813041 /nfs/dbraw/zinc/81/30/41/1141813041.db2.gz ZJZQXINVJJSBTO-UHFFFAOYSA-N 0 3 300.406 2.014 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCc2nccn2C)[C@@H](CC)C1 ZINC001323141843 1141817405 /nfs/dbraw/zinc/81/74/05/1141817405.db2.gz FQRQHSQDLMQDJX-JKSUJKDBSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)CCOc1ccc(F)cc1 ZINC001323292442 1141838244 /nfs/dbraw/zinc/83/82/44/1141838244.db2.gz FBBHKQBACWBAJE-OAHLLOKOSA-N 0 3 306.381 2.361 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CCc1ccccc1OC ZINC001323353405 1141844699 /nfs/dbraw/zinc/84/46/99/1141844699.db2.gz RPSJKQSDYVFDGW-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001323472535 1141856814 /nfs/dbraw/zinc/85/68/14/1141856814.db2.gz ONMVBAHIXYRXOP-MRXNPFEDSA-N 0 3 304.434 2.011 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001323681875 1141876623 /nfs/dbraw/zinc/87/66/23/1141876623.db2.gz VQFOZPOBMLVUOG-OWCLPIDISA-N 0 3 306.450 2.300 20 30 DEEDHN C#CC[C@]1(c2nc(-c3cccc4cn(C)nc43)no2)CCCN1 ZINC001249351680 1141877430 /nfs/dbraw/zinc/87/74/30/1141877430.db2.gz BJQGEWZWUZUCLE-QGZVFWFLSA-N 0 3 307.357 2.225 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1[nH]c(C)nc1C)C1CC1 ZINC001421547484 1171842576 /nfs/dbraw/zinc/84/25/76/1171842576.db2.gz BWFWOHWZQOYOAT-OAHLLOKOSA-N 0 3 310.829 2.267 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CCCCOC)C2)C1 ZINC001323804982 1141888403 /nfs/dbraw/zinc/88/84/03/1141888403.db2.gz ZYJPNVHJHQVBRM-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCC(=O)NC(C)C)[C@@H]1C ZINC001278526341 1141995015 /nfs/dbraw/zinc/99/50/15/1141995015.db2.gz IJMRQOUEDHBBDD-JKSUJKDBSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC001324128601 1142012834 /nfs/dbraw/zinc/01/28/34/1142012834.db2.gz HLAJVBITEYUPGA-INIZCTEOSA-N 0 3 324.371 2.248 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@](C)(CNCc2nccn2C)C1 ZINC001278536873 1142028748 /nfs/dbraw/zinc/02/87/48/1142028748.db2.gz TYXJCMDPIOLULA-MAUKXSAKSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCN(C(=O)CCC)C1CCN(CCOCC2CC2)CC1 ZINC001324364176 1142062490 /nfs/dbraw/zinc/06/24/90/1142062490.db2.gz CTEIOWXILMDEGW-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C(=O)Cc1ccon1)C1CCN(CC=C(C)C)CC1 ZINC001324376742 1142066063 /nfs/dbraw/zinc/06/60/63/1142066063.db2.gz HWNIMCOZRRJVCL-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN C#CCN(C(=O)CO[C@@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001324384101 1142066944 /nfs/dbraw/zinc/06/69/44/1142066944.db2.gz DGQZNJJINUDVSQ-INIZCTEOSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCN(C(=O)[C@H]1CC[C@H](CC)O1)C1CCN(CC=C)CC1 ZINC001324398097 1142070225 /nfs/dbraw/zinc/07/02/25/1142070225.db2.gz YWVCMLIJYROHTC-DLBZAZTESA-N 0 3 304.434 2.056 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H]1CC)C1CCN(CCOC)CC1 ZINC001324420211 1142074810 /nfs/dbraw/zinc/07/48/10/1142074810.db2.gz NWDZFKBODVTXRD-FUHWJXTLSA-N 0 3 320.477 2.385 20 30 DEEDHN CC[C@@H](F)C(=O)N1CCCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001324557939 1142104030 /nfs/dbraw/zinc/10/40/30/1142104030.db2.gz WIJZANZUMNLRPP-SJLPKXTDSA-N 0 3 324.440 2.089 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001278558781 1142122788 /nfs/dbraw/zinc/12/27/88/1142122788.db2.gz LNGNSTKFQJSVHM-LPHOPBHVSA-N 0 3 321.424 2.346 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001324615215 1142151570 /nfs/dbraw/zinc/15/15/70/1142151570.db2.gz NYTQITPNFKRCLZ-LPHOPBHVSA-N 0 3 314.429 2.114 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc[nH]c2CCC)CC1 ZINC001278622347 1142367875 /nfs/dbraw/zinc/36/78/75/1142367875.db2.gz GCEXIOFJYMHZGA-UHFFFAOYSA-N 0 3 301.434 2.432 20 30 DEEDHN CCOC(=O)C1CCC(O)(CNCC2(C#N)CCCC2)CC1 ZINC001251067908 1142377332 /nfs/dbraw/zinc/37/73/32/1142377332.db2.gz ILNJQYLRIFNFRW-UHFFFAOYSA-N 0 3 308.422 2.144 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C[C@@H]1CCC[C@H](C)C1)OC ZINC001251528380 1142443963 /nfs/dbraw/zinc/44/39/63/1142443963.db2.gz LGEHSHCBNNLSDZ-JKSUJKDBSA-N 0 3 309.454 2.341 20 30 DEEDHN C#CCOC[C@@H](O)CN[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC001251893503 1142535378 /nfs/dbraw/zinc/53/53/78/1142535378.db2.gz FXDPRFZZSHZWIR-WMLDXEAASA-N 0 3 315.417 2.250 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCC(F)(F)c1cc(F)cc(F)c1 ZINC001337069349 1142674787 /nfs/dbraw/zinc/67/47/87/1142674787.db2.gz SISPFTVZFIWXBJ-LBPRGKRZSA-N 0 3 317.286 2.194 20 30 DEEDHN C=CCOC[C@@H](O)CN1CCC(C(=O)c2ccccc2)CC1 ZINC001252454866 1142718747 /nfs/dbraw/zinc/71/87/47/1142718747.db2.gz VUTGGYHLUXHHJC-KRWDZBQOSA-N 0 3 303.402 2.145 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cc(F)c(OCCOC)c(F)c1 ZINC001252622857 1142796378 /nfs/dbraw/zinc/79/63/78/1142796378.db2.gz AAMSNMGSZNXUAW-CYBMUJFWSA-N 0 3 315.360 2.407 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC(C#N)(c2ccccc2)CC1 ZINC001252665325 1142805188 /nfs/dbraw/zinc/80/51/88/1142805188.db2.gz BLLXYMRKEKOVIU-QGZVFWFLSA-N 0 3 302.418 2.330 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001278682024 1142814963 /nfs/dbraw/zinc/81/49/63/1142814963.db2.gz QDQIWZHVIHAEPT-RDJZCZTQSA-N 0 3 304.438 2.239 20 30 DEEDHN C[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001338094812 1142828064 /nfs/dbraw/zinc/82/80/64/1142828064.db2.gz DAPHWKGMAYWUPY-GFCCVEGCSA-N 0 3 315.377 2.315 20 30 DEEDHN CC(C)(C)OC(=O)[C@H](O)CNC(C)(C)c1ccc(C#N)cc1 ZINC001253701031 1142894039 /nfs/dbraw/zinc/89/40/39/1142894039.db2.gz ZIRIDZGYNKRIOE-CQSZACIVSA-N 0 3 304.390 2.086 20 30 DEEDHN CC[C@@](N)(CO)NC1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348246 1143086411 /nfs/dbraw/zinc/08/64/11/1143086411.db2.gz DYICJUGKQJZTDJ-JCYILVPMSA-N 0 3 305.397 2.177 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)NC1CCC(C(N)=O)CC1 ZINC001340047189 1143246291 /nfs/dbraw/zinc/24/62/91/1143246291.db2.gz RLEUGJBPFRQWMS-NRXISQOPSA-N 0 3 311.470 2.225 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC001340179764 1143289934 /nfs/dbraw/zinc/28/99/34/1143289934.db2.gz ITMJJLYITFAGRV-SWLSCSKDSA-N 0 3 318.417 2.318 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccc(C(N)=O)cc3)CC2)C1 ZINC001254673840 1143308370 /nfs/dbraw/zinc/30/83/70/1143308370.db2.gz PZDWQGRDYZIQOM-HIFRSBDPSA-N 0 3 313.401 2.321 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)C1 ZINC001254678205 1143310873 /nfs/dbraw/zinc/31/08/73/1143310873.db2.gz ZGYMNNKLLMXDPS-KMFMINBZSA-N 0 3 313.401 2.321 20 30 DEEDHN C=CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN([C@H](C)CC)CC1 ZINC001340456480 1143350519 /nfs/dbraw/zinc/35/05/19/1143350519.db2.gz KGHIYLXLECXNMB-QLFBSQMISA-N 0 3 314.437 2.012 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](N3CC(CC#N)C3)C[C@@H]2C1 ZINC001254899439 1143354502 /nfs/dbraw/zinc/35/45/02/1143354502.db2.gz HWGVQGFRTVYJPL-FICVDOATSA-N 0 3 305.422 2.477 20 30 DEEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCSCC1 ZINC001255093001 1143401682 /nfs/dbraw/zinc/40/16/82/1143401682.db2.gz JERSTTKRWNUWCE-HNNXBMFYSA-N 0 3 307.463 2.418 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC001340735801 1143420303 /nfs/dbraw/zinc/42/03/03/1143420303.db2.gz MKOCSAQLKNHMIL-CZUORRHYSA-N 0 3 306.406 2.262 20 30 DEEDHN CC[C@H](CC#N)NC[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255151967 1143445755 /nfs/dbraw/zinc/44/57/55/1143445755.db2.gz JWCPPJFROBFFTI-GBJTYRQASA-N 0 3 323.437 2.150 20 30 DEEDHN CC[C@@H](CC#N)NCC1CCN(C(=O)c2ccccn2)CC1 ZINC001255160404 1143450663 /nfs/dbraw/zinc/45/06/63/1143450663.db2.gz JKTUDZIAFXCLNH-HNNXBMFYSA-N 0 3 300.406 2.216 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC001341257402 1143572295 /nfs/dbraw/zinc/57/22/95/1143572295.db2.gz WCIWOVIQQDLVOV-CQSZACIVSA-N 0 3 301.308 2.320 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC001341370038 1143591611 /nfs/dbraw/zinc/59/16/11/1143591611.db2.gz CSSRFBYLRNVVNX-CVEARBPZSA-N 0 3 307.438 2.063 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N(C)[C@H]1CCCCNC1=O ZINC001341400375 1143595683 /nfs/dbraw/zinc/59/56/83/1143595683.db2.gz YOEOHIQOJPGDES-CABCVRRESA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([S@](C)(=O)=NC)c1 ZINC001341606397 1143638817 /nfs/dbraw/zinc/63/88/17/1143638817.db2.gz BRWLMUFQSAHVPH-SZNDQCEHSA-N 0 3 309.435 2.395 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1nc2c(s1)CCCC2 ZINC001341684027 1143662728 /nfs/dbraw/zinc/66/27/28/1143662728.db2.gz KQPTVQDWTVGSNJ-GFCCVEGCSA-N 0 3 307.463 2.364 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC001341998638 1143765687 /nfs/dbraw/zinc/76/56/87/1143765687.db2.gz DXMRJCAKMQVVQY-UONOGXRCSA-N 0 3 304.390 2.319 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001479247307 1143817219 /nfs/dbraw/zinc/81/72/19/1143817219.db2.gz UFQWLPICAJBURM-AWEZNQCLSA-N 0 3 302.422 2.400 20 30 DEEDHN C#C[C@@H]1CCCN(C(CCC(=O)OCC)CCC(=O)OCC)C1 ZINC001256007596 1143820676 /nfs/dbraw/zinc/82/06/76/1143820676.db2.gz YTONOAGQPMIPHZ-OAHLLOKOSA-N 0 3 323.433 2.387 20 30 DEEDHN C=CCCC[C@@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)OC ZINC001342596555 1143825852 /nfs/dbraw/zinc/82/58/52/1143825852.db2.gz AVSXVJXIRBIKMB-LSDHHAIUSA-N 0 3 304.390 2.091 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc2c[nH]ccc-2n1)C(C)C ZINC001278912709 1143830650 /nfs/dbraw/zinc/83/06/50/1143830650.db2.gz WCXQZTFVENPYNQ-UHFFFAOYSA-N 0 3 312.417 2.369 20 30 DEEDHN C=C[C@H](COC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001342749152 1143834797 /nfs/dbraw/zinc/83/47/97/1143834797.db2.gz SGXCZLMGUPTELO-MRXNPFEDSA-N 0 3 323.412 2.100 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001342778237 1143835989 /nfs/dbraw/zinc/83/59/89/1143835989.db2.gz KGRKPIHBDNBETL-UKRRQHHQSA-N 0 3 318.417 2.493 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC1(CCC(=O)OC)CCCCC1 ZINC001342785970 1143836297 /nfs/dbraw/zinc/83/62/97/1143836297.db2.gz GMEKQBFIFOFXHI-CQSZACIVSA-N 0 3 310.438 2.442 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001281034275 1143908347 /nfs/dbraw/zinc/90/83/47/1143908347.db2.gz GXYVXNRTZGGWCR-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN CC/C(C)=C/C(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001279079336 1143979098 /nfs/dbraw/zinc/97/90/98/1143979098.db2.gz KDUXMBUWWJOTTN-UTZKEFOASA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCOC(=O)N1CCC2(CN([C@H](C)CCC(=O)OC)C2)CC1 ZINC001258366223 1143998844 /nfs/dbraw/zinc/99/88/44/1143998844.db2.gz LXWGNHOAXSFMCY-CQSZACIVSA-N 0 3 324.421 2.049 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cnn(C(C)C)c3Cl)C2)C1 ZINC001258462265 1144006735 /nfs/dbraw/zinc/00/67/35/1144006735.db2.gz JARHKVIALBYFIG-UHFFFAOYSA-N 0 3 322.840 2.451 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC=C(C)C1 ZINC001262970371 1144346702 /nfs/dbraw/zinc/34/67/02/1144346702.db2.gz HUJFENMHCCQRAN-OAHLLOKOSA-N 0 3 301.438 2.430 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC001263076226 1144353984 /nfs/dbraw/zinc/35/39/84/1144353984.db2.gz QSSRHUJBENXPBX-ZDUSSCGKSA-N 0 3 309.797 2.322 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC001263145624 1144358294 /nfs/dbraw/zinc/35/82/94/1144358294.db2.gz XWVFORGFLKSEGO-AEFFLSMTSA-N 0 3 302.418 2.444 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)COc1ccc(F)c(F)c1 ZINC001263303027 1144367245 /nfs/dbraw/zinc/36/72/45/1144367245.db2.gz KDCDKTQRYXDGNQ-LBPRGKRZSA-N 0 3 324.327 2.359 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccncn1 ZINC001263814712 1144399047 /nfs/dbraw/zinc/39/90/47/1144399047.db2.gz KJFKVTFUQLAQCZ-OAHLLOKOSA-N 0 3 302.422 2.369 20 30 DEEDHN O=C(CCCF)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001263840981 1144408027 /nfs/dbraw/zinc/40/80/27/1144408027.db2.gz XKDXOIDNDLYDCC-CALCHBBNSA-N 0 3 302.393 2.272 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC001264148749 1144488008 /nfs/dbraw/zinc/48/80/08/1144488008.db2.gz NKTSIJOIMCXYDY-OCCSQVGLSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1cnn(C)c1C ZINC001264183125 1144499510 /nfs/dbraw/zinc/49/95/10/1144499510.db2.gz HSAFGNDROALVIZ-KRWDZBQOSA-N 0 3 318.465 2.160 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c2c(nn1C)CCC2 ZINC001264376303 1144518550 /nfs/dbraw/zinc/51/85/50/1144518550.db2.gz GROWGFQNPMTYIU-CQSZACIVSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001264600563 1144576986 /nfs/dbraw/zinc/57/69/86/1144576986.db2.gz WFNWCTAKNAJYBY-JKSUJKDBSA-N 0 3 318.417 2.178 20 30 DEEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001264600563 1144576988 /nfs/dbraw/zinc/57/69/88/1144576988.db2.gz WFNWCTAKNAJYBY-JKSUJKDBSA-N 0 3 318.417 2.178 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC001264629645 1144581311 /nfs/dbraw/zinc/58/13/11/1144581311.db2.gz AZPFVENJZJONME-OAHLLOKOSA-N 0 3 322.474 2.450 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001264629880 1144581809 /nfs/dbraw/zinc/58/18/09/1144581809.db2.gz GCRKZYSDASSACQ-IRXDYDNUSA-N 0 3 320.477 2.428 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001264636465 1144582841 /nfs/dbraw/zinc/58/28/41/1144582841.db2.gz UIOKMCZKAMYUJZ-MRXNPFEDSA-N 0 3 322.836 2.425 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCCC[C@H](NCC(=C)Cl)C1 ZINC001264675274 1144589888 /nfs/dbraw/zinc/58/98/88/1144589888.db2.gz BWLFGCUIUSYAEO-CABCVRRESA-N 0 3 312.841 2.138 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001264751625 1144606048 /nfs/dbraw/zinc/60/60/48/1144606048.db2.gz LSXBXJNNGPEGRY-HOTGVXAUSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)COc2ccsc2)CC(C)(C)C1 ZINC001264753024 1144606573 /nfs/dbraw/zinc/60/65/73/1144606573.db2.gz ADFNCUHUMFFZCC-CQSZACIVSA-N 0 3 320.458 2.367 20 30 DEEDHN CC[C@H](F)CN(CCCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001265157920 1144656674 /nfs/dbraw/zinc/65/66/74/1144656674.db2.gz SHZISWREQCVTHT-ZDUSSCGKSA-N 0 3 306.385 2.219 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001265303978 1144688359 /nfs/dbraw/zinc/68/83/59/1144688359.db2.gz SMUJBLXQWJBYRG-GDBMZVCRSA-N 0 3 302.393 2.218 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001265430835 1144703693 /nfs/dbraw/zinc/70/36/93/1144703693.db2.gz KRELNXWPHGOIKR-INIZCTEOSA-N 0 3 300.402 2.139 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](NCc2cccnc2OC)C1 ZINC001265491346 1144706818 /nfs/dbraw/zinc/70/68/18/1144706818.db2.gz XSRCAKHAWBUNQP-WKILWMFISA-N 0 3 315.417 2.021 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001265572243 1144712784 /nfs/dbraw/zinc/71/27/84/1144712784.db2.gz BNSRGSHECMWDHI-GASCZTMLSA-N 0 3 306.381 2.155 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001265592706 1144716173 /nfs/dbraw/zinc/71/61/73/1144716173.db2.gz HVWPPNSQUYTQBT-SJLPKXTDSA-N 0 3 313.445 2.283 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2occc2C)C1 ZINC001265706134 1144731916 /nfs/dbraw/zinc/73/19/16/1144731916.db2.gz RBRJVVRQOHWWPM-JKSUJKDBSA-N 0 3 302.418 2.371 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)COc2cccc(C)c2)C1 ZINC001265707703 1144732627 /nfs/dbraw/zinc/73/26/27/1144732627.db2.gz DRQKTMBSHNMJBU-SJORKVTESA-N 0 3 314.429 2.224 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cc(C(C)C)oc1C ZINC001265845839 1144746725 /nfs/dbraw/zinc/74/67/25/1144746725.db2.gz GIPGIVNZJBSMGR-CYBMUJFWSA-N 0 3 306.406 2.069 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001265851681 1144747540 /nfs/dbraw/zinc/74/75/40/1144747540.db2.gz QVLHOFQWVXJKEE-HNNXBMFYSA-N 0 3 314.429 2.312 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c(Cl)cncc1Cl ZINC001265917546 1144756984 /nfs/dbraw/zinc/75/69/84/1144756984.db2.gz SWRILQYXJZVYLU-UHFFFAOYSA-N 0 3 314.216 2.463 20 30 DEEDHN CCCCCCC[NH2+][C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001265924682 1144759453 /nfs/dbraw/zinc/75/94/53/1144759453.db2.gz BRUVRAUXKWHFFE-AWEZNQCLSA-N 0 3 320.437 2.265 20 30 DEEDHN COCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC#Cc1ccccc1 ZINC001265988754 1144778240 /nfs/dbraw/zinc/77/82/40/1144778240.db2.gz TVVRHKMBCITAJB-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@@H](CNCc2cc(C)no2)C1 ZINC001266008396 1144784304 /nfs/dbraw/zinc/78/43/04/1144784304.db2.gz DIZZCLCXPQDWFV-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001266105530 1144805977 /nfs/dbraw/zinc/80/59/77/1144805977.db2.gz QHZZDOVOXZSHIC-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001266116737 1144807194 /nfs/dbraw/zinc/80/71/94/1144807194.db2.gz NCTQDBUNRBIFPL-KRWDZBQOSA-N 0 3 302.393 2.314 20 30 DEEDHN COCC#CCN(CCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C1CC1 ZINC001266145428 1144809726 /nfs/dbraw/zinc/80/97/26/1144809726.db2.gz TUPAAGOHHZMIJH-RYRKJORJSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2nc(C)oc2C)CC1 ZINC001266193402 1144812842 /nfs/dbraw/zinc/81/28/42/1144812842.db2.gz JBXKXBPKVPMLCY-UHFFFAOYSA-N 0 3 321.421 2.030 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC001266214024 1144815024 /nfs/dbraw/zinc/81/50/24/1144815024.db2.gz AHQIMLSFSRXLLD-IAGOWNOFSA-N 0 3 306.450 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)NCCC[C@@H]1CCCN1Cc1ccnn1C ZINC001266228319 1144816550 /nfs/dbraw/zinc/81/65/50/1144816550.db2.gz IEKNMJYUGMLDGO-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1csnn1 ZINC001266226914 1144816650 /nfs/dbraw/zinc/81/66/50/1144816650.db2.gz IXGSFGDOXBNFQN-NSHDSACASA-N 0 3 314.842 2.265 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)C(F)(F)F)CC1 ZINC001279146794 1144818883 /nfs/dbraw/zinc/81/88/83/1144818883.db2.gz PSHRNVSGBADLAB-RYUDHWBXSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001279605650 1144825496 /nfs/dbraw/zinc/82/54/96/1144825496.db2.gz KGWQEGANMMKEPR-QWHCGFSZSA-N 0 3 320.355 2.064 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)CCC1CCCCCC1 ZINC001279773307 1144827929 /nfs/dbraw/zinc/82/79/29/1144827929.db2.gz JYTOADAVHIRAEF-UHFFFAOYSA-N 0 3 308.466 2.171 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001316600174 1144830369 /nfs/dbraw/zinc/83/03/69/1144830369.db2.gz ZUSVIQPFQVQMTD-AWEZNQCLSA-N 0 3 316.449 2.401 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001280745995 1144852399 /nfs/dbraw/zinc/85/23/99/1144852399.db2.gz GTTGBONYJSIKII-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnn(CCC)c1C ZINC001280864539 1144860215 /nfs/dbraw/zinc/86/02/15/1144860215.db2.gz RJJBSFYIMTZYAP-UHFFFAOYSA-N 0 3 304.438 2.019 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001281184712 1144876549 /nfs/dbraw/zinc/87/65/49/1144876549.db2.gz NTPTZKUNVLMVKB-HKUYNNGSSA-N 0 3 322.493 2.415 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001281389178 1144886464 /nfs/dbraw/zinc/88/64/64/1144886464.db2.gz CHRHMIDKILTANF-FUHWJXTLSA-N 0 3 321.424 2.425 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCc2ccncc2)C(C)(C)C1 ZINC001281556709 1144897086 /nfs/dbraw/zinc/89/70/86/1144897086.db2.gz LKGQJCFPCVXSKE-MRXNPFEDSA-N 0 3 301.434 2.417 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NCc2ncccc2C)nc1 ZINC001282215802 1145014881 /nfs/dbraw/zinc/01/48/81/1145014881.db2.gz DKNSIQVJCJPTBV-HUUCEWRRSA-N 0 3 322.412 2.063 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CCCC)CN[C@H](C)C(=O)NC)CC1 ZINC001282648761 1145111055 /nfs/dbraw/zinc/11/10/55/1145111055.db2.gz ZRJQSCQYAFKHMU-ZBFHGGJFSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)CCc1cncc(C)c1 ZINC001282664852 1145118322 /nfs/dbraw/zinc/11/83/22/1145118322.db2.gz KGAVRVXMEMKNEV-GOSISDBHSA-N 0 3 313.445 2.317 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001282718051 1145142073 /nfs/dbraw/zinc/14/20/73/1145142073.db2.gz WNYPFMMKWCWUNC-DOTOQJQBSA-N 0 3 318.465 2.483 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@H](C)c2ccco2)C1 ZINC001282744032 1145158703 /nfs/dbraw/zinc/15/87/03/1145158703.db2.gz LAFAOXIJVJQMFB-KGLIPLIRSA-N 0 3 306.406 2.022 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001282745821 1145160360 /nfs/dbraw/zinc/16/03/60/1145160360.db2.gz XLSFMAZMMUYIMS-HOTGVXAUSA-N 0 3 314.429 2.222 20 30 DEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(C#N)s1 ZINC001364300727 1145163069 /nfs/dbraw/zinc/16/30/69/1145163069.db2.gz LDMCPTHIAVLOTF-NSHDSACASA-N 0 3 306.435 2.292 20 30 DEEDHN CN(CC(F)F)C1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001364355986 1145191828 /nfs/dbraw/zinc/19/18/28/1145191828.db2.gz CJHCVKZINRXDBY-MRXNPFEDSA-N 0 3 323.387 2.253 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H]([C@H](C)NCc2cncs2)C1 ZINC001282910944 1145198827 /nfs/dbraw/zinc/19/88/27/1145198827.db2.gz IHEMICWYMQNIFG-DZGCQCFKSA-N 0 3 323.462 2.205 20 30 DEEDHN CNC(=O)N[C@@H]1CCCN(Cc2c(C)cc(C#N)cc2C)C1 ZINC001364511057 1145307964 /nfs/dbraw/zinc/30/79/64/1145307964.db2.gz SYZBLSHUXGSFMX-OAHLLOKOSA-N 0 3 300.406 2.069 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@H](C)c2cnccn2)CC1 ZINC001283296848 1145350162 /nfs/dbraw/zinc/35/01/62/1145350162.db2.gz PTOPPIAIJHVIRH-CQSZACIVSA-N 0 3 302.422 2.427 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](OC(C)C)c2ccccc2)C1 ZINC001493271155 1145374711 /nfs/dbraw/zinc/37/47/11/1145374711.db2.gz VOKAULIDQNEHOC-FUHWJXTLSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@@H](CNCCF)C2CC2)CCOCC1 ZINC001283553773 1145516245 /nfs/dbraw/zinc/51/62/45/1145516245.db2.gz BJKCDPNEOGGTJN-HNNXBMFYSA-N 0 3 312.429 2.155 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)C(C)(C)c1cccc(OC)c1 ZINC001283693680 1145591736 /nfs/dbraw/zinc/59/17/36/1145591736.db2.gz PFSRDFLYTKFYQJ-OAHLLOKOSA-N 0 3 316.445 2.433 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCc1nc2ccccc2o1 ZINC001283713507 1145612108 /nfs/dbraw/zinc/61/21/08/1145612108.db2.gz JTNZIEJLBICARF-AWEZNQCLSA-N 0 3 313.401 2.220 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3cnccc3c2)C1 ZINC001284014525 1145752067 /nfs/dbraw/zinc/75/20/67/1145752067.db2.gz BSOSXQPTOGFWFF-KDOFPFPSSA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CCC(F)(F)F)CCC[C@H]12 ZINC001284045684 1145769733 /nfs/dbraw/zinc/76/97/33/1145769733.db2.gz PGANXXJKZPTQJN-GXTWGEPZSA-N 0 3 302.340 2.465 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@H](NCc3ccon3)[C@H]2C1 ZINC001284086146 1145793591 /nfs/dbraw/zinc/79/35/91/1145793591.db2.gz YESDQGOVSMZUNE-BPUTZDHNSA-N 0 3 303.406 2.358 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCCN(CCOC2CCC2)[C@H]1C ZINC001284122975 1145803366 /nfs/dbraw/zinc/80/33/66/1145803366.db2.gz POPCPTOFLXQHPP-DOTOQJQBSA-N 0 3 306.450 2.328 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)C2(C)CCCC2)CC1(C)C ZINC001284309138 1145834358 /nfs/dbraw/zinc/83/43/58/1145834358.db2.gz GKVQNCHSNCGPOV-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(O)(c2ccnn2C)CC1 ZINC001365328589 1145848502 /nfs/dbraw/zinc/84/85/02/1145848502.db2.gz BOJCCQDRELZOAS-AWEZNQCLSA-N 0 3 310.401 2.336 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)Cc1ccccc1 ZINC001284492069 1145862608 /nfs/dbraw/zinc/86/26/08/1145862608.db2.gz GOFZJDMTPDVDOV-QGZVFWFLSA-N 0 3 304.434 2.294 20 30 DEEDHN C#CCCN(C)CCN(C(=O)Cc1sc(C)nc1C)C(C)C ZINC001284545086 1145869606 /nfs/dbraw/zinc/86/96/06/1145869606.db2.gz YFZNDNJVFFOIPC-UHFFFAOYSA-N 0 3 321.490 2.495 20 30 DEEDHN COCCN(CCNC(=O)C#CC(C)C)CC1=CCCCC1 ZINC001284656891 1145884966 /nfs/dbraw/zinc/88/49/66/1145884966.db2.gz WPDWFFMPQSADLU-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001284691596 1145891267 /nfs/dbraw/zinc/89/12/67/1145891267.db2.gz UNQHOMGFWQSEFM-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)COc2cccc(C)c2)CC1 ZINC001284731248 1145896925 /nfs/dbraw/zinc/89/69/25/1145896925.db2.gz FPBVXZRWOGAQES-INIZCTEOSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001284793385 1145917334 /nfs/dbraw/zinc/91/73/34/1145917334.db2.gz IZUJXTGGWIXVME-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1cc(C(=O)N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c[nH]1 ZINC001365630647 1145932219 /nfs/dbraw/zinc/93/22/19/1145932219.db2.gz WWSPGKSREUMSJE-KFWWJZLASA-N 0 3 312.417 2.080 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCOCCNCc2cncs2)C1 ZINC001284876337 1145951663 /nfs/dbraw/zinc/95/16/63/1145951663.db2.gz UGVHZXQBCPOARP-UHFFFAOYSA-N 0 3 323.462 2.064 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001316636412 1146001346 /nfs/dbraw/zinc/00/13/46/1146001346.db2.gz ZGKPQMSZQVOFNI-HDJSIYSDSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCCCC(=O)N(CC)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001285022707 1146010498 /nfs/dbraw/zinc/01/04/98/1146010498.db2.gz HRICGGNNWCFNHE-JKSUJKDBSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N(C)C1CCC(NC(=O)CN(CC)CC)CC1 ZINC001285419969 1146160296 /nfs/dbraw/zinc/16/02/96/1146160296.db2.gz JIXWSRLHBJNNDH-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001288005961 1146761506 /nfs/dbraw/zinc/76/15/06/1146761506.db2.gz MBRKBBZOMQBLIF-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001288482794 1146804719 /nfs/dbraw/zinc/80/47/19/1146804719.db2.gz OCUAGNAVYWMFKW-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc(C)cn1 ZINC001365922675 1146911010 /nfs/dbraw/zinc/91/10/10/1146911010.db2.gz PFRHWFAPQIPWDQ-LSDHHAIUSA-N 0 3 324.856 2.303 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCc2cscn2)C1 ZINC001491966493 1147023914 /nfs/dbraw/zinc/02/39/14/1147023914.db2.gz ZKYCGTIQPUHYBJ-OAHLLOKOSA-N 0 3 305.447 2.022 20 30 DEEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1cc(F)cc(F)c1 ZINC001366264810 1147181646 /nfs/dbraw/zinc/18/16/46/1147181646.db2.gz GAYZWPYWRQREQZ-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CC12CCC2)NCc1ccc(C#N)c(F)c1 ZINC001366345625 1147226182 /nfs/dbraw/zinc/22/61/82/1147226182.db2.gz IXJXHFHTNYDEKD-DOMZBBRYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cn(C)nc1C1CCCC1 ZINC001492408654 1147246314 /nfs/dbraw/zinc/24/63/14/1147246314.db2.gz MUMZOEILYKTUHU-UHFFFAOYSA-N 0 3 304.438 2.315 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc(F)ccc1Cl ZINC001492432701 1147253979 /nfs/dbraw/zinc/25/39/79/1147253979.db2.gz QVNDMGOGUBIGJX-UHFFFAOYSA-N 0 3 314.788 2.343 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccc(CO)cc2)C1 ZINC001317462747 1147385623 /nfs/dbraw/zinc/38/56/23/1147385623.db2.gz YAGSDFGWZXOJLL-UHFFFAOYSA-N 0 3 302.418 2.083 20 30 DEEDHN CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1cccc(C)c1 ZINC001366609675 1147391757 /nfs/dbraw/zinc/39/17/57/1147391757.db2.gz RIBHNRBKMUYVTJ-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001316766935 1147574286 /nfs/dbraw/zinc/57/42/86/1147574286.db2.gz LMJOOQQKCJLNLE-UHFFFAOYSA-N 0 3 320.408 2.096 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001316947496 1147637187 /nfs/dbraw/zinc/63/71/87/1147637187.db2.gz MKXHIXFPYJNCTR-HOTGVXAUSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC[C@H]2CCCCO2)C1 ZINC001316950648 1147637942 /nfs/dbraw/zinc/63/79/42/1147637942.db2.gz RYLNBNGHQIKQCS-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001316953004 1147638445 /nfs/dbraw/zinc/63/84/45/1147638445.db2.gz IRKASNMYDRPKLU-ZWKOTPCHSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001316985399 1147644165 /nfs/dbraw/zinc/64/41/65/1147644165.db2.gz JMHMBWCWTHUVSG-IAGOWNOFSA-N 0 3 302.418 2.267 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](N[C@@H](C)c1n[nH]c(CC)n1)C1CC1 ZINC001317026100 1147649636 /nfs/dbraw/zinc/64/96/36/1147649636.db2.gz LDPGMKVENLXYRY-WCQYABFASA-N 0 3 319.453 2.125 20 30 DEEDHN CC(C)n1ccc(CN[C@H](C)CCNC(=O)C#CC(C)(C)C)n1 ZINC001480764620 1147657022 /nfs/dbraw/zinc/65/70/22/1147657022.db2.gz OASXPNKVLIJEDH-OAHLLOKOSA-N 0 3 318.465 2.498 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)Cc2c[nH]cn2)CCCC[C@@H]1C ZINC001367182694 1147661467 /nfs/dbraw/zinc/66/14/67/1147661467.db2.gz HRRJZMUKHKAXQJ-BLLLJJGKSA-N 0 3 324.856 2.359 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001317145442 1147666483 /nfs/dbraw/zinc/66/64/83/1147666483.db2.gz ZQMFIPFOLPBRKA-LBPRGKRZSA-N 0 3 304.356 2.426 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001317179496 1147672197 /nfs/dbraw/zinc/67/21/97/1147672197.db2.gz UEKVSPDUEPWEQV-SFHVURJKSA-N 0 3 313.445 2.181 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)N[C@H](C)C(=O)N1CCC(C)CC1 ZINC001317268001 1147684620 /nfs/dbraw/zinc/68/46/20/1147684620.db2.gz KAYQAUBSCJKSLO-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2n[nH]c3c2CCC3)CCCC1 ZINC001367372402 1147685302 /nfs/dbraw/zinc/68/53/02/1147685302.db2.gz VUXIMVJZGZNXKH-UHFFFAOYSA-N 0 3 322.840 2.283 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001317305115 1147688368 /nfs/dbraw/zinc/68/83/68/1147688368.db2.gz BNIWHCYQMSIZMS-INIZCTEOSA-N 0 3 300.377 2.071 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CCC[C@@H](NCc2nccn2C)C1 ZINC001317351560 1147694751 /nfs/dbraw/zinc/69/47/51/1147694751.db2.gz BAQZNSSXWMWNBE-CVEARBPZSA-N 0 3 316.449 2.131 20 30 DEEDHN Cc1cc(CN[C@H]2CCC[C@H](NC(=O)C#CC(C)C)C2)on1 ZINC001317360527 1147696057 /nfs/dbraw/zinc/69/60/57/1147696057.db2.gz ZRFANIDEIVWQDA-GJZGRUSLSA-N 0 3 303.406 2.159 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C)nn1CC)C(C)C ZINC001367484546 1147700854 /nfs/dbraw/zinc/70/08/54/1147700854.db2.gz WEFFEEFSHZZNSW-CYBMUJFWSA-N 0 3 312.845 2.308 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)Cc1cc[nH]n1 ZINC001317424949 1147705340 /nfs/dbraw/zinc/70/53/40/1147705340.db2.gz GGIGZPKXBZIPSO-AWEZNQCLSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1c(C)cnn1C ZINC001317430463 1147706730 /nfs/dbraw/zinc/70/67/30/1147706730.db2.gz VRJPGHTZMRMOFY-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001317543660 1147722705 /nfs/dbraw/zinc/72/27/05/1147722705.db2.gz ZLTDLOLLFBGJDT-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](CCNC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001317553900 1147724087 /nfs/dbraw/zinc/72/40/87/1147724087.db2.gz APCODLFHMRSLKP-GFCCVEGCSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001317553900 1147724088 /nfs/dbraw/zinc/72/40/88/1147724088.db2.gz APCODLFHMRSLKP-GFCCVEGCSA-N 0 3 318.421 2.040 20 30 DEEDHN C=C(Cl)CNC[C@H](C)NC(=O)C[C@H](C)n1ccnc1CC ZINC001367730604 1147734323 /nfs/dbraw/zinc/73/43/23/1147734323.db2.gz CFUULZMDKAMZOY-STQMWFEESA-N 0 3 312.845 2.243 20 30 DEEDHN C[C@@H](NC[C@H](C)NC(=O)c1ccc(C#N)[nH]1)c1ccccc1F ZINC001367730746 1147734340 /nfs/dbraw/zinc/73/43/40/1147734340.db2.gz MYRJPPCLVDXXMR-NWDGAFQWSA-N 0 3 314.364 2.495 20 30 DEEDHN CCc1c(C(=O)N(C)CCNCc2cccc(C#N)c2)ccn1C ZINC001317625959 1147734797 /nfs/dbraw/zinc/73/47/97/1147734797.db2.gz KTSHBKOSAIAPFG-UHFFFAOYSA-N 0 3 324.428 2.321 20 30 DEEDHN C=CCCCC(=O)N1CCC([C@@H](C)NCc2nnc(C)[nH]2)CC1 ZINC001317679932 1147742950 /nfs/dbraw/zinc/74/29/50/1147742950.db2.gz ZSYKEBFDAVETTJ-CYBMUJFWSA-N 0 3 319.453 2.186 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](NCCCO)c1ccccc1 ZINC001317721904 1147746966 /nfs/dbraw/zinc/74/69/66/1147746966.db2.gz KLBDCGAOVFKSBM-MRXNPFEDSA-N 0 3 304.434 2.418 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnc(Cl)n1C)c1ccccc1 ZINC001317720177 1147747002 /nfs/dbraw/zinc/74/70/02/1147747002.db2.gz BARCMDDBXIEDLX-CYBMUJFWSA-N 0 3 318.808 2.320 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)C[C@H](C)n1ccnc1)c1ccccc1 ZINC001317723391 1147747467 /nfs/dbraw/zinc/74/74/67/1147747467.db2.gz GLJZMGQSYJSXTL-WMZOPIPTSA-N 0 3 324.428 2.305 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC001317727183 1147747794 /nfs/dbraw/zinc/74/77/94/1147747794.db2.gz LRWQOQITABIVDJ-QAPCUYQASA-N 0 3 324.428 2.148 20 30 DEEDHN CCC(=O)N1CC[C@@H](CN(C)CC#Cc2ccc(F)cc2)C1 ZINC001317824367 1147755651 /nfs/dbraw/zinc/75/56/51/1147755651.db2.gz OPZOQGJVXKRHJK-INIZCTEOSA-N 0 3 302.393 2.368 20 30 DEEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001317827805 1147755799 /nfs/dbraw/zinc/75/57/99/1147755799.db2.gz ZHMCLWXBXLAGAL-SFHVURJKSA-N 0 3 321.424 2.460 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C[C@@H](F)CC)C2)nc1 ZINC001317856650 1147758246 /nfs/dbraw/zinc/75/82/46/1147758246.db2.gz IFSHPADLEGLTDU-CVEARBPZSA-N 0 3 317.408 2.205 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)C[C@@H](F)CC)C2)nc1 ZINC001317856651 1147758348 /nfs/dbraw/zinc/75/83/48/1147758348.db2.gz IFSHPADLEGLTDU-HOTGVXAUSA-N 0 3 317.408 2.205 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2cccnn2)C1 ZINC001317947658 1147762798 /nfs/dbraw/zinc/76/27/98/1147762798.db2.gz FHGIPMFVOMXWSL-OAHLLOKOSA-N 0 3 302.422 2.417 20 30 DEEDHN C=CCC[C@@H](C)N1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001318025142 1147766232 /nfs/dbraw/zinc/76/62/32/1147766232.db2.gz UATDMDARYWMKAZ-OAHLLOKOSA-N 0 3 307.482 2.406 20 30 DEEDHN C=CCCCN1CC(NC(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001318040555 1147766857 /nfs/dbraw/zinc/76/68/57/1147766857.db2.gz BAVVVHNQWFZHGJ-UHFFFAOYSA-N 0 3 316.327 2.117 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001318172912 1147789709 /nfs/dbraw/zinc/78/97/09/1147789709.db2.gz JPIOZDQEPHONKV-UHFFFAOYSA-N 0 3 310.441 2.179 20 30 DEEDHN C=C(Cl)CN(CC1CC1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001368048941 1147841615 /nfs/dbraw/zinc/84/16/15/1147841615.db2.gz DJPNGZOPQIKYII-UHFFFAOYSA-N 0 3 322.840 2.479 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001324948626 1147861413 /nfs/dbraw/zinc/86/14/13/1147861413.db2.gz TVVFKZYXHJCAIR-RBUKOAKNSA-N 0 3 320.477 2.457 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN(C[C@H](CC)OC)CCC1(F)F ZINC001325041502 1147869343 /nfs/dbraw/zinc/86/93/43/1147869343.db2.gz GKDVNGOZBQUHHN-KBPBESRZSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cccnn1)c1ccccc1CC ZINC001325367158 1147896456 /nfs/dbraw/zinc/89/64/56/1147896456.db2.gz RRONKVXDAURUKL-GOSISDBHSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnccn1)c1ccccc1CC ZINC001325363473 1147896541 /nfs/dbraw/zinc/89/65/41/1147896541.db2.gz TXYDPAHYERPFKY-QGZVFWFLSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2CC)cc1 ZINC001326480339 1148110692 /nfs/dbraw/zinc/11/06/92/1148110692.db2.gz LQVILEWTZAOERZ-QGTPRVQTSA-N 0 3 314.429 2.402 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2ccc(Cl)nc2)CCC1 ZINC001326799533 1148250857 /nfs/dbraw/zinc/25/08/57/1148250857.db2.gz UUHQLHMTVMWASK-UHFFFAOYSA-N 0 3 323.824 2.066 20 30 DEEDHN C#CCCCC(=O)NCC1(NCc2ccc(OC)nc2)CCC1 ZINC001326809917 1148254181 /nfs/dbraw/zinc/25/41/81/1148254181.db2.gz OOJAASFABVEODV-UHFFFAOYSA-N 0 3 315.417 2.022 20 30 DEEDHN Cc1cc(CNC[C@H](NC(=O)[C@@H](C)C#N)C2CCCC2)sn1 ZINC001368139587 1148267401 /nfs/dbraw/zinc/26/74/01/1148267401.db2.gz WHVJKCQFQPCCLA-NHYWBVRUSA-N 0 3 320.462 2.376 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H](C)CCC=C(C)C)CCO1 ZINC001327037388 1148314379 /nfs/dbraw/zinc/31/43/79/1148314379.db2.gz YKCYIYDQYHKHES-IRXDYDNUSA-N 0 3 306.450 2.209 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Cl)CC1 ZINC000076526468 185018846 /nfs/dbraw/zinc/01/88/46/185018846.db2.gz SBYQRMLBZCMYKK-UHFFFAOYSA-N 0 3 321.808 2.045 20 30 DEEDHN C=CCCCCCN1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000278323199 214090049 /nfs/dbraw/zinc/09/00/49/214090049.db2.gz CPSZWFHIBBRTSQ-OAHLLOKOSA-N 0 3 314.437 2.381 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCC(C)CC1 ZINC000612141730 361756394 /nfs/dbraw/zinc/75/63/94/361756394.db2.gz PXFXYVDCCZPQOY-DOTOQJQBSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612141884 361756742 /nfs/dbraw/zinc/75/67/42/361756742.db2.gz XFABBTYJPJLVBT-VYDXJSESSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCCCS1(=O)=O ZINC000612417041 361820954 /nfs/dbraw/zinc/82/09/54/361820954.db2.gz TXWMBHNNBQKVBK-WBVHZDCISA-N 0 3 318.442 2.493 20 30 DEEDHN CN1CCC(O)(CNC(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC000329838667 404466944 /nfs/dbraw/zinc/46/69/44/404466944.db2.gz VVEKVCIVIGNXHX-HNNXBMFYSA-N 0 3 323.481 2.450 20 30 DEEDHN N#Cc1ccc(CN2CCN(C[C@H]3CCSC3)CC2)cc1 ZINC000278518214 214205851 /nfs/dbraw/zinc/20/58/51/214205851.db2.gz XSTBHGBDWDFXIP-QGZVFWFLSA-N 0 3 301.459 2.429 20 30 DEEDHN COc1ccc(OC)c([C@@H](O)CNCc2cccc(C#N)c2)c1 ZINC000078877867 185121744 /nfs/dbraw/zinc/12/17/44/185121744.db2.gz TXHQABSYCWDTLC-KRWDZBQOSA-N 0 3 312.369 2.399 20 30 DEEDHN CCNC(=O)N1CC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000278707971 214342269 /nfs/dbraw/zinc/34/22/69/214342269.db2.gz LKEWGHGRVDTUIT-HOTGVXAUSA-N 0 3 300.406 2.403 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1cccc(C#N)c1 ZINC000613388731 362098366 /nfs/dbraw/zinc/09/83/66/362098366.db2.gz DDNRGAPRCOMMTB-RDTXWAMCSA-N 0 3 323.396 2.251 20 30 DEEDHN CO[C@@H](C)CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000181435966 199296912 /nfs/dbraw/zinc/29/69/12/199296912.db2.gz XWDWDOAEPIFZFE-HNNXBMFYSA-N 0 3 317.433 2.264 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCC#Cc1cccc(F)c1 ZINC000338728448 529965743 /nfs/dbraw/zinc/96/57/43/529965743.db2.gz KZECEBXGUUCCOB-INIZCTEOSA-N 0 3 317.408 2.160 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614880018 362482256 /nfs/dbraw/zinc/48/22/56/362482256.db2.gz YMSILOBBEBOOII-IRXDYDNUSA-N 0 3 304.434 2.151 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193860568 539716323 /nfs/dbraw/zinc/71/63/23/539716323.db2.gz YUXHLCCTBVTLFF-HNNXBMFYSA-N 0 3 323.400 2.490 20 30 DEEDHN C#CCSCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186070673 186238239 /nfs/dbraw/zinc/23/82/39/186238239.db2.gz OIUGLVVNSBRVKV-CQSZACIVSA-N 0 3 311.472 2.113 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000268751176 186378203 /nfs/dbraw/zinc/37/82/03/186378203.db2.gz SOQPLBHKDMUJSI-OALUTQOASA-N 0 3 308.381 2.183 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](NCCc1ccc(C#N)cc1)C(N)=O ZINC000595501810 358466184 /nfs/dbraw/zinc/46/61/84/358466184.db2.gz NFMNPAMUDZFJTM-KBXCAEBGSA-N 0 3 307.397 2.348 20 30 DEEDHN N#Cc1ccc(CN2CCN(CC3CCOCC3)CC2)c(F)c1 ZINC000172422432 198095358 /nfs/dbraw/zinc/09/53/58/198095358.db2.gz ITRPPAWBYUNYMX-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)CCC#N)C1 ZINC000072837591 191236262 /nfs/dbraw/zinc/23/62/62/191236262.db2.gz LCSVRLCPQWAHAW-HUUCEWRRSA-N 0 3 322.478 2.248 20 30 DEEDHN CCN1CCC(NC(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000329107284 539914283 /nfs/dbraw/zinc/91/42/83/539914283.db2.gz DTHQGOVYPYLRNB-UHFFFAOYSA-N 0 3 317.437 2.134 20 30 DEEDHN COCCN1CCC(NC(=O)c2ccc3c(c2)COC3)CC1 ZINC000329100403 539914434 /nfs/dbraw/zinc/91/44/34/539914434.db2.gz ZJYIIZJOJQLCOR-UHFFFAOYSA-N 0 3 304.390 2.132 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)n1cccn1)C(C)C ZINC000042393628 354194869 /nfs/dbraw/zinc/19/48/69/354194869.db2.gz LSBUJDDOKIGKSR-HOTGVXAUSA-N 0 3 304.438 2.259 20 30 DEEDHN C[C@@H](CNC(=O)NCc1cccc(C#N)c1)N1CCC[C@H](C)C1 ZINC000048978025 354357355 /nfs/dbraw/zinc/35/73/55/354357355.db2.gz QQRRSJPXLYSDPI-GJZGRUSLSA-N 0 3 314.433 2.478 20 30 DEEDHN CCN1CCC(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000047980554 354336964 /nfs/dbraw/zinc/33/69/64/354336964.db2.gz UESDFBDVPXKJOR-CYBMUJFWSA-N 0 3 300.406 2.403 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc([S@](C)=O)cc2)nc(C)n1 ZINC000049405092 354360641 /nfs/dbraw/zinc/36/06/41/354360641.db2.gz AUDKJWOTZJYJCJ-JLCFBVMHSA-N 0 3 313.382 2.321 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000066189544 354703987 /nfs/dbraw/zinc/70/39/87/354703987.db2.gz GOXHEJZSRWASOB-RHSMWYFYSA-N 0 3 312.417 2.499 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cccc3cccnc32)CC1 ZINC000068793579 354833188 /nfs/dbraw/zinc/83/31/88/354833188.db2.gz UFQOIYDUQYSXAC-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN CCC(=O)N1CCCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000077390458 355203893 /nfs/dbraw/zinc/20/38/93/355203893.db2.gz YGXBEFGNAMTEOP-UHFFFAOYSA-N 0 3 315.417 2.271 20 30 DEEDHN C=C(C)CN1CCC(Nc2ccc(-n3ccc(C)n3)nn2)CC1 ZINC000077965049 355237500 /nfs/dbraw/zinc/23/75/00/355237500.db2.gz VIPPOIRMCKQGTA-UHFFFAOYSA-N 0 3 312.421 2.423 20 30 DEEDHN COC1CCN(CCNC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000079800119 355329871 /nfs/dbraw/zinc/32/98/71/355329871.db2.gz PQZRSFZBVFZTAN-UHFFFAOYSA-N 0 3 316.405 2.099 20 30 DEEDHN CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n1 ZINC000080906911 355391527 /nfs/dbraw/zinc/39/15/27/355391527.db2.gz MFPAAIHIGCAQBN-JKSUJKDBSA-N 0 3 323.400 2.059 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1ncoc1C)C(C)C ZINC000092521803 355638409 /nfs/dbraw/zinc/63/84/09/355638409.db2.gz QQWVZRXRWKLBKA-MRXNPFEDSA-N 0 3 320.437 2.481 20 30 DEEDHN N#Cc1ccc(OCCN(CCO)CCc2ccccc2)cc1 ZINC000112698840 355755535 /nfs/dbraw/zinc/75/55/35/355755535.db2.gz WHJQRBSNNGZEPS-UHFFFAOYSA-N 0 3 310.397 2.474 20 30 DEEDHN COC[C@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C1CC1 ZINC000183432294 356172133 /nfs/dbraw/zinc/17/21/33/356172133.db2.gz YNKJLTNLMZJYJK-NOAVELHRSA-N 0 3 321.465 2.320 20 30 DEEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000595610724 358500951 /nfs/dbraw/zinc/50/09/51/358500951.db2.gz APMXLMADDMWLKD-CYBMUJFWSA-N 0 3 315.373 2.370 20 30 DEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(c2)CCS3(=O)=O)C1 ZINC000618572062 363530678 /nfs/dbraw/zinc/53/06/78/363530678.db2.gz PAWHKMKYQIQCJU-SWLSCSKDSA-N 0 3 304.415 2.188 20 30 DEEDHN N#Cc1cncc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 ZINC000401338636 356726294 /nfs/dbraw/zinc/72/62/94/356726294.db2.gz QPBLGAHMKRMZIG-DLBZAZTESA-N 0 3 319.412 2.307 20 30 DEEDHN CC(C)O[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000404689037 356733885 /nfs/dbraw/zinc/73/38/85/356733885.db2.gz HWDSHQQXKMEFQW-SJLPKXTDSA-N 0 3 318.417 2.187 20 30 DEEDHN C[C@]1(NC(=O)c2ccc(C#N)cn2)CCN(Cc2ccccc2)C1 ZINC000405962993 356735593 /nfs/dbraw/zinc/73/55/93/356735593.db2.gz PUVFTKZUHXSIIZ-IBGZPJMESA-N 0 3 320.396 2.348 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCC2(CC#N)CC2)C[C@@H](C)C1 ZINC000580750404 357074004 /nfs/dbraw/zinc/07/40/04/357074004.db2.gz HBNJBHMGAKUWQG-RRFJBIMHSA-N 0 3 304.438 2.052 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000584715598 357295294 /nfs/dbraw/zinc/29/52/94/357295294.db2.gz WNVAKAYWEFPNCC-GOSISDBHSA-N 0 3 321.380 2.154 20 30 DEEDHN CN(CCC(=O)N1CCC(CCC#N)CC1)c1ccncc1 ZINC000581946070 357272423 /nfs/dbraw/zinc/27/24/23/357272423.db2.gz YAKLMEJAXCZJIX-UHFFFAOYSA-N 0 3 300.406 2.450 20 30 DEEDHN N#Cc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000589521387 357477663 /nfs/dbraw/zinc/47/76/63/357477663.db2.gz XEDOVFGFNCCOFE-SJORKVTESA-N 0 3 318.392 2.497 20 30 DEEDHN CC[C@H](C)N[C@H](CNC(=O)c1cccc(C#N)n1)c1ccco1 ZINC000589521172 357478261 /nfs/dbraw/zinc/47/82/61/357478261.db2.gz KMGZMQZZJNUSHR-SWLSCSKDSA-N 0 3 312.373 2.405 20 30 DEEDHN N#Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000589583172 357479802 /nfs/dbraw/zinc/47/98/02/357479802.db2.gz NMEPJHXQLIPRHJ-HNNXBMFYSA-N 0 3 316.361 2.132 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)c2cccc(C#N)n2)c1 ZINC000589611948 357483153 /nfs/dbraw/zinc/48/31/53/357483153.db2.gz QFUXPPMODZRUOU-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN C[C@@H](C(=O)N1CC(C#N)C1)N1CCC(Cc2ccccc2)CC1 ZINC000590488655 357551043 /nfs/dbraw/zinc/55/10/43/357551043.db2.gz VOJNQBUMUFJRMR-HNNXBMFYSA-N 0 3 311.429 2.312 20 30 DEEDHN N#Cc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000590694368 357583684 /nfs/dbraw/zinc/58/36/84/357583684.db2.gz DZDZFHNGLRYNBY-AWEZNQCLSA-N 0 3 316.361 2.132 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765049 357606084 /nfs/dbraw/zinc/60/60/84/357606084.db2.gz HNLCMCKOQLHULG-SQDXWYPISA-N 0 3 303.450 2.409 20 30 DEEDHN CCn1ccnc1[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000590777701 357610600 /nfs/dbraw/zinc/61/06/00/357610600.db2.gz BRTCOXHTQKTCFX-CQSZACIVSA-N 0 3 324.432 2.489 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC2=CCSC2)CC1 ZINC000660597476 540310015 /nfs/dbraw/zinc/31/00/15/540310015.db2.gz POXWPDZZRPJTIH-UHFFFAOYSA-N 0 3 309.479 2.342 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2csc(CC)n2)CC1 ZINC000592524171 357894318 /nfs/dbraw/zinc/89/43/18/357894318.db2.gz QRFPXAQXMUOQSZ-UHFFFAOYSA-N 0 3 322.478 2.497 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000662078731 540325988 /nfs/dbraw/zinc/32/59/88/540325988.db2.gz FVYDZXYQWNNCEJ-YVSFHVDLSA-N 0 3 304.434 2.339 20 30 DEEDHN C=C[C@@H](O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000666984765 540375073 /nfs/dbraw/zinc/37/50/73/540375073.db2.gz PRHXRIMJTAHYGN-DLBZAZTESA-N 0 3 302.418 2.123 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000594440340 358271223 /nfs/dbraw/zinc/27/12/23/358271223.db2.gz XYVXKHYOYKFDBV-CABCVRRESA-N 0 3 301.390 2.428 20 30 DEEDHN C[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(C)C1CC1 ZINC000618810721 363608941 /nfs/dbraw/zinc/60/89/41/363608941.db2.gz DZMQZRVWUQBLTM-SJKOYZFVSA-N 0 3 312.417 2.327 20 30 DEEDHN N#Cc1ccc(CNCc2ccccc2CN2CC[C@@H](O)C2)o1 ZINC000180995474 199238801 /nfs/dbraw/zinc/23/88/01/199238801.db2.gz ULOHGFZTYIUNGU-MRXNPFEDSA-N 0 3 311.385 2.008 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc2c(c1)CCCO2 ZINC000595990697 358590490 /nfs/dbraw/zinc/59/04/90/358590490.db2.gz CQPLFDOWNLHVGH-IUODEOHRSA-N 0 3 301.390 2.210 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596671068 358737228 /nfs/dbraw/zinc/73/72/28/358737228.db2.gz YAXFUZVKBKUERM-UHFFFAOYSA-N 0 3 314.433 2.228 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596671003 358737237 /nfs/dbraw/zinc/73/72/37/358737237.db2.gz GTSGGEXPPMLSAA-YOEHRIQHSA-N 0 3 314.433 2.082 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)[C@@H]2C1 ZINC000618854324 363617095 /nfs/dbraw/zinc/61/70/95/363617095.db2.gz VAAMFUMXSJTYCU-ZTFGCOKTSA-N 0 3 324.428 2.281 20 30 DEEDHN CN(C)CCN(Cc1cnc2n1CCC2)Cc1ccc(C#N)cc1 ZINC000597126077 358829442 /nfs/dbraw/zinc/82/94/42/358829442.db2.gz DEXBIWHZCQLOCU-UHFFFAOYSA-N 0 3 323.444 2.265 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597921790 359041988 /nfs/dbraw/zinc/04/19/88/359041988.db2.gz AYXKUWODKMKIQS-DZGCQCFKSA-N 0 3 315.417 2.315 20 30 DEEDHN CC(C)[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1 ZINC000598576611 359247168 /nfs/dbraw/zinc/24/71/68/359247168.db2.gz XRKURJDXSGRFBM-OAHLLOKOSA-N 0 3 303.431 2.107 20 30 DEEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592395 359253781 /nfs/dbraw/zinc/25/37/81/359253781.db2.gz KIGPCSKUCKBWLQ-HUUCEWRRSA-N 0 3 323.481 2.161 20 30 DEEDHN CC(=O)N1CCN(C[C@H](O)CC(C)(C)C#N)CC12CCCCC2 ZINC000598600085 359256759 /nfs/dbraw/zinc/25/67/59/359256759.db2.gz MRLKNPBMNZYHKJ-MRXNPFEDSA-N 0 3 321.465 2.154 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccnc(N2CCCCC2)c1 ZINC000598715771 359302953 /nfs/dbraw/zinc/30/29/53/359302953.db2.gz TUGDUIJCVMNYBE-INIZCTEOSA-N 0 3 316.449 2.462 20 30 DEEDHN COc1cc(NC(=O)N(C)CCN(C)C2CC2)c(F)cc1C#N ZINC000599814680 359604407 /nfs/dbraw/zinc/60/44/07/359604407.db2.gz IFFRHYKCXOPRTI-UHFFFAOYSA-N 0 3 320.368 2.264 20 30 DEEDHN COc1cc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c(F)cc1C#N ZINC000599820132 359606531 /nfs/dbraw/zinc/60/65/31/359606531.db2.gz VDKNGDPQZSWFMG-JQWIXIFHSA-N 0 3 320.368 2.310 20 30 DEEDHN C=CCC[C@H](C(=O)NC[C@](C)(O)CN(C)C)c1ccccc1 ZINC000187159501 200069948 /nfs/dbraw/zinc/06/99/48/200069948.db2.gz MZMXAVNOGQMMNC-WMZOPIPTSA-N 0 3 304.434 2.165 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000187727052 200150544 /nfs/dbraw/zinc/15/05/44/200150544.db2.gz ZXNPBZACQWQYDG-KGLIPLIRSA-N 0 3 305.447 2.281 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2C(F)(F)F)CC1 ZINC000668369888 540656125 /nfs/dbraw/zinc/65/61/25/540656125.db2.gz HTQWUDSLYKZXHL-UHFFFAOYSA-N 0 3 317.311 2.464 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCOC3)CC1 ZINC000668370223 540656134 /nfs/dbraw/zinc/65/61/34/540656134.db2.gz QQHABYJWKWPVLO-UHFFFAOYSA-N 0 3 300.402 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cccnc3n2)CC1 ZINC000668369696 540655270 /nfs/dbraw/zinc/65/52/70/540655270.db2.gz BQALTJFTCSRXFW-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccnc(-c2ccccc2)c1 ZINC000600761315 359822383 /nfs/dbraw/zinc/82/23/83/359822383.db2.gz XTMIOBSVMSHZCF-SFHVURJKSA-N 0 3 324.428 2.045 20 30 DEEDHN CC[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccncc1 ZINC000600722812 359811062 /nfs/dbraw/zinc/81/10/62/359811062.db2.gz ITHNGJUJCQAIKO-IAGOWNOFSA-N 0 3 311.385 2.434 20 30 DEEDHN Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)C#N)C2)cc1 ZINC000602289057 360331467 /nfs/dbraw/zinc/33/14/67/360331467.db2.gz ZPWPUTWRNUJPPA-ZBFHGGJFSA-N 0 3 300.406 2.028 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000619208342 363735885 /nfs/dbraw/zinc/73/58/85/363735885.db2.gz CAMAQKFJSPCGTA-WMLDXEAASA-N 0 3 306.454 2.442 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000619208340 363736473 /nfs/dbraw/zinc/73/64/73/363736473.db2.gz CAMAQKFJSPCGTA-PBHICJAKSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1cccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)n1 ZINC000602635987 360470366 /nfs/dbraw/zinc/47/03/66/360470366.db2.gz GTMBAEQJKPHUBU-ROUUACIJSA-N 0 3 311.360 2.348 20 30 DEEDHN COc1cc(CN(CCO)[C@@H]2CCCSC2)ccc1C#N ZINC000443067418 238101239 /nfs/dbraw/zinc/10/12/39/238101239.db2.gz JLSHPDVFCXKSJT-OAHLLOKOSA-N 0 3 306.431 2.257 20 30 DEEDHN C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1=CCN(C)CC1 ZINC000603076359 360690645 /nfs/dbraw/zinc/69/06/45/360690645.db2.gz RYSTYFBRKRQRSW-LLVKDONJSA-N 0 3 302.353 2.469 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)[C@H]2C1 ZINC000603077288 360691883 /nfs/dbraw/zinc/69/18/83/360691883.db2.gz UOOBVEPUTGHCTK-DOMZBBRYSA-N 0 3 302.353 2.255 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C#N)s2)C[C@@H](C)O1 ZINC000443677421 238121239 /nfs/dbraw/zinc/12/12/39/238121239.db2.gz ZBGLOGYYDGEFMY-CHWSQXEVSA-N 0 3 321.446 2.239 20 30 DEEDHN CC[C@](C)(N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603231812 360757947 /nfs/dbraw/zinc/75/79/47/360757947.db2.gz CVUXCQDEXSADGE-HNNXBMFYSA-N 0 3 321.331 2.383 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN(CC)CCC ZINC000669219924 540801041 /nfs/dbraw/zinc/80/10/41/540801041.db2.gz FYWIEOYVENOYLT-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1C#N ZINC000603377420 360810741 /nfs/dbraw/zinc/81/07/41/360810741.db2.gz UTBBMOHLRJEIIF-RYUDHWBXSA-N 0 3 315.377 2.112 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)C(C)(C)O)C(C)C ZINC000606641498 361027849 /nfs/dbraw/zinc/02/78/49/361027849.db2.gz DOPRIRZZLSYPFW-GJZGRUSLSA-N 0 3 311.470 2.144 20 30 DEEDHN C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)N(C)C1CC1 ZINC000609173668 361286779 /nfs/dbraw/zinc/28/67/79/361286779.db2.gz XHRCAEMYDXHUNI-ZDUSSCGKSA-N 0 3 310.401 2.377 20 30 DEEDHN N#CCN1CCC(NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000609334917 361302600 /nfs/dbraw/zinc/30/26/00/361302600.db2.gz KWDQVEWSIDMZSP-UHFFFAOYSA-N 0 3 309.417 2.009 20 30 DEEDHN CN(C)CCn1cc(Nc2nc(C(F)(F)F)ccc2C#N)cn1 ZINC000609669788 361334116 /nfs/dbraw/zinc/33/41/16/361334116.db2.gz DHGFNYWZPGIYAK-UHFFFAOYSA-N 0 3 324.310 2.474 20 30 DEEDHN N#Cc1c(F)cccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489261 361407229 /nfs/dbraw/zinc/40/72/29/361407229.db2.gz UDZZGUQNJABFEA-AWEZNQCLSA-N 0 3 303.381 2.388 20 30 DEEDHN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(C#N)ccc1C ZINC000610577027 361424584 /nfs/dbraw/zinc/42/45/84/361424584.db2.gz WVVUCBGGDSSYLP-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN N#CC1(CCCN2CCCN(C(=O)C3CC3)CC2)CCOCC1 ZINC000619621584 363842881 /nfs/dbraw/zinc/84/28/81/363842881.db2.gz NEBPZPMCCJEWIX-UHFFFAOYSA-N 0 3 319.449 2.031 20 30 DEEDHN CS[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1N1CCCC1 ZINC000275470204 212353729 /nfs/dbraw/zinc/35/37/29/212353729.db2.gz NUDPLUVHZHQFMB-LSDHHAIUSA-N 0 3 302.447 2.278 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3ncn(C)c32)CC1 ZINC000629958781 367400582 /nfs/dbraw/zinc/40/05/82/367400582.db2.gz QRYUZDJWITWKLQ-UHFFFAOYSA-N 0 3 312.417 2.344 20 30 DEEDHN C[C@]1(CO)CCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000493676097 291394296 /nfs/dbraw/zinc/39/42/96/291394296.db2.gz IKYHALAXPIOIGW-SJLPKXTDSA-N 0 3 315.417 2.074 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2-c2ccco2)CC1 ZINC000630943210 367925546 /nfs/dbraw/zinc/92/55/46/367925546.db2.gz ODOVTDMUZHXESD-UHFFFAOYSA-N 0 3 300.362 2.050 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC001574963551 1069309268 /nfs/dbraw/zinc/30/92/68/1069309268.db2.gz WLUYWVXXFCKBPD-KRWDZBQOSA-N 0 3 318.392 2.074 20 30 DEEDHN C=CCN1CCC(NC(=O)c2nc3ccc(O)cc3s2)CC1 ZINC000631349966 368167985 /nfs/dbraw/zinc/16/79/85/368167985.db2.gz QGTKCVFVDOPAGX-UHFFFAOYSA-N 0 3 317.414 2.382 20 30 DEEDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000451603936 243184844 /nfs/dbraw/zinc/18/48/44/243184844.db2.gz XYUVSVZXQZBPBB-ZFWWWQNUSA-N 0 3 323.462 2.437 20 30 DEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCc2ccccc2CC1 ZINC000451712413 243343458 /nfs/dbraw/zinc/34/34/58/243343458.db2.gz QPLWJNOOCJDMLI-INIZCTEOSA-N 0 3 313.445 2.485 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2CCC(O)(CC)CC2)CC1 ZINC000678505504 541738139 /nfs/dbraw/zinc/73/81/39/541738139.db2.gz MWIBVWLOGBKXHY-UHFFFAOYSA-N 0 3 309.454 2.020 20 30 DEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000678745846 541761134 /nfs/dbraw/zinc/76/11/34/541761134.db2.gz NWUYIDXFZRTEMQ-DZGCQCFKSA-N 0 3 309.406 2.308 20 30 DEEDHN C=CCc1cc(CN2CCC[C@H](C(=O)NC)C2)cc(OC)c1O ZINC000093360739 193237486 /nfs/dbraw/zinc/23/74/86/193237486.db2.gz NABFHHIPLUHSIV-HNNXBMFYSA-N 0 3 318.417 2.087 20 30 DEEDHN CNC(=O)[C@@H](C)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000093898995 193325540 /nfs/dbraw/zinc/32/55/40/193325540.db2.gz SQIYGTNKNOYDNW-AWEZNQCLSA-N 0 3 303.406 2.183 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001574963802 1069309290 /nfs/dbraw/zinc/30/92/90/1069309290.db2.gz XLYNVYFLBPLKIX-CQSZACIVSA-N 0 3 310.401 2.010 20 30 DEEDHN C#CCOc1ccccc1CNCCN(C)CC(F)(F)F ZINC000264852159 204208658 /nfs/dbraw/zinc/20/86/58/204208658.db2.gz 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/nfs/dbraw/zinc/65/70/23/248657023.db2.gz KYXFMEVKNKJXQZ-ZFWWWQNUSA-N 0 3 321.446 2.157 20 30 DEEDHN CC(C#N)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492480457 249073160 /nfs/dbraw/zinc/07/31/60/249073160.db2.gz FAQAUUQGXYWMML-GFCCVEGCSA-N 0 3 307.394 2.220 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000493034510 249202368 /nfs/dbraw/zinc/20/23/68/249202368.db2.gz DYTFTPRPWURUGC-JHJVBQTASA-N 0 3 309.410 2.440 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC3(CCOCC3)CC2)cc1 ZINC000284935143 218241902 /nfs/dbraw/zinc/24/19/02/218241902.db2.gz YLFVTCSMCMIGIP-KRWDZBQOSA-N 0 3 300.402 2.484 20 30 DEEDHN CCn1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000105870130 194151420 /nfs/dbraw/zinc/15/14/20/194151420.db2.gz PFMJPIYGYRWXDP-UHFFFAOYSA-N 0 3 323.444 2.483 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000057127871 184027799 /nfs/dbraw/zinc/02/77/99/184027799.db2.gz NTBUNBOZKBPINE-GFCCVEGCSA-N 0 3 306.356 2.487 20 30 DEEDHN CC1(C)C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)(C)O1 ZINC000119801370 195039512 /nfs/dbraw/zinc/03/95/12/195039512.db2.gz CJZXDMLUAONMQG-CQSZACIVSA-N 0 3 301.390 2.432 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C(=O)OC)nn1)C(C)C ZINC000120208819 195119307 /nfs/dbraw/zinc/11/93/07/195119307.db2.gz OQPMPZJQLISJTQ-HNNXBMFYSA-N 0 3 318.421 2.374 20 30 DEEDHN C=C[C@@H](C)NC[C@H](O)COc1ccc(Br)cc1 ZINC000158230695 197255125 /nfs/dbraw/zinc/25/51/25/197255125.db2.gz ZNQNEXBAZXCAHE-PWSUYJOCSA-N 0 3 300.196 2.353 20 30 DEEDHN CC(C#N)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000340440649 533111900 /nfs/dbraw/zinc/11/19/00/533111900.db2.gz QGLYZDYWJDARDB-GWCFXTLKSA-N 0 3 310.300 2.348 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000264783900 533135573 /nfs/dbraw/zinc/13/55/73/533135573.db2.gz PZYZPFHYYZEDQQ-GJZGRUSLSA-N 0 3 302.422 2.308 20 30 DEEDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC000289777584 221219068 /nfs/dbraw/zinc/21/90/68/221219068.db2.gz GVNXBSADTOGGAF-KRWDZBQOSA-N 0 3 323.400 2.339 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000128206396 195945193 /nfs/dbraw/zinc/94/51/93/195945193.db2.gz ZFNKIDROZHKTIO-ZDUSSCGKSA-N 0 3 315.417 2.228 20 30 DEEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(OCC#N)cc1)CC2 ZINC000265014698 533374294 /nfs/dbraw/zinc/37/42/94/533374294.db2.gz GFGSPOKUCHITDA-MRXNPFEDSA-N 0 3 314.385 2.364 20 30 DEEDHN COC(=O)[C@H]1CCN(CCOc2ccccc2C#N)[C@H]1C(C)C ZINC000429388034 533431379 /nfs/dbraw/zinc/43/13/79/533431379.db2.gz UCJXUBPHUGBBTM-RDJZCZTQSA-N 0 3 316.401 2.457 20 30 DEEDHN CSC1(CNC(=O)Cc2ccc(C#N)cc2)CCN(C)CC1 ZINC000355448396 133027842 /nfs/dbraw/zinc/02/78/42/133027842.db2.gz CIXXEZDRIXBKLF-UHFFFAOYSA-N 0 3 317.458 2.044 20 30 DEEDHN COc1ccccc1[C@@H](CNCc1cc(C#N)n(C)c1)N(C)C ZINC000359974893 133155894 /nfs/dbraw/zinc/15/58/94/133155894.db2.gz IISOPLKOAGFULJ-QGZVFWFLSA-N 0 3 312.417 2.298 20 30 DEEDHN CSC1(CNC(=O)c2ccc(F)c(C#N)c2)CCN(C)CC1 ZINC000362196562 133216108 /nfs/dbraw/zinc/21/61/08/133216108.db2.gz ZQKMZLSUZBKRPL-UHFFFAOYSA-N 0 3 321.421 2.255 20 30 DEEDHN N#Cc1ccnc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000368545727 133277834 /nfs/dbraw/zinc/27/78/34/133277834.db2.gz OAIIBTZYRAPUNB-IAGOWNOFSA-N 0 3 308.385 2.001 20 30 DEEDHN N#Cc1cc(Cl)ccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000376337135 133291122 /nfs/dbraw/zinc/29/11/22/133291122.db2.gz XCVLYKDGQXGJIZ-IRXDYDNUSA-N 0 3 319.836 2.243 20 30 DEEDHN CC[C@@H](C)C[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000562996597 292022907 /nfs/dbraw/zinc/02/29/07/292022907.db2.gz RCNULTHZGNTOKC-CHWSQXEVSA-N 0 3 309.435 2.141 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC001422574008 1172721464 /nfs/dbraw/zinc/72/14/64/1172721464.db2.gz PFEIZKJRNLUBJZ-LLVKDONJSA-N 0 3 306.797 2.366 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000291675490 404474070 /nfs/dbraw/zinc/47/40/70/404474070.db2.gz BTRVDWUOTWCBFV-LESCRADOSA-N 0 3 302.418 2.093 20 30 DEEDHN Cc1ccc(O[C@H](C)CNCc2cnc3c(C#N)cnn3c2)cc1 ZINC000564987446 292125155 /nfs/dbraw/zinc/12/51/55/292125155.db2.gz WHFNRIBRYCWYQY-CQSZACIVSA-N 0 3 321.384 2.467 20 30 DEEDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000313412415 145355517 /nfs/dbraw/zinc/35/55/17/145355517.db2.gz VTFOZJSEULABNF-UHFFFAOYSA-N 0 3 315.826 2.007 20 30 DEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000346178932 146032114 /nfs/dbraw/zinc/03/21/14/146032114.db2.gz ARFRUNATKKTMPV-HUUCEWRRSA-N 0 3 317.433 2.360 20 30 DEEDHN COC(=O)c1ccc(NCCN2CCCC2(C)C)c(C#N)n1 ZINC000565225951 292148918 /nfs/dbraw/zinc/14/89/18/292148918.db2.gz JBPKRWJUGYYSHI-UHFFFAOYSA-N 0 3 302.378 2.026 20 30 DEEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000348155920 146225246 /nfs/dbraw/zinc/22/52/46/146225246.db2.gz CSOIXGOBBSEPAW-QWHCGFSZSA-N 0 3 323.343 2.164 20 30 DEEDHN COc1ccc(C(C)(C)CN[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000112537505 401748273 /nfs/dbraw/zinc/74/82/73/401748273.db2.gz LFMNNMJLWONPAW-AWEZNQCLSA-N 0 3 317.433 2.323 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000127134013 401721734 /nfs/dbraw/zinc/72/17/34/401721734.db2.gz LGOKPHDFZVWBPB-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)CCc1ccccn1 ZINC000127672254 401744991 /nfs/dbraw/zinc/74/49/91/401744991.db2.gz JFLMSCCVMBTDSA-UHFFFAOYSA-N 0 3 308.385 2.456 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000126474377 401696213 /nfs/dbraw/zinc/69/62/13/401696213.db2.gz RJSXANMNUHFCFQ-AWEZNQCLSA-N 0 3 324.428 2.096 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnn(CC)c1)C(C)C ZINC000114378933 401797991 /nfs/dbraw/zinc/79/79/91/401797991.db2.gz RUTDXPHNLOFIMW-MRXNPFEDSA-N 0 3 304.438 2.331 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CNc2ccccc2OC)CC1 ZINC000112905835 401761878 /nfs/dbraw/zinc/76/18/78/401761878.db2.gz FVTZPDXAGLVDMD-UHFFFAOYSA-N 0 3 317.433 2.264 20 30 DEEDHN CC(C)OCCOC[C@@H](O)CN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000128196303 401766326 /nfs/dbraw/zinc/76/63/26/401766326.db2.gz GZSLXWMZSCTUPM-YJBOKZPZSA-N 0 3 320.433 2.354 20 30 DEEDHN CC(C)NC(=O)CCNCc1ccc(N(C)CCC#N)cc1 ZINC000075771299 401768316 /nfs/dbraw/zinc/76/83/16/401768316.db2.gz APEGZPUWGYAFGU-UHFFFAOYSA-N 0 3 302.422 2.041 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccccc1OCC#N ZINC000115441206 401828600 /nfs/dbraw/zinc/82/86/00/401828600.db2.gz KFBXNYGUVBKCSR-AWEZNQCLSA-N 0 3 301.390 2.003 20 30 DEEDHN C=C(C)COCCNC(=O)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000135027731 401924543 /nfs/dbraw/zinc/92/45/43/401924543.db2.gz FHWCNNMIAGSREF-BBWFWOEESA-N 0 3 321.465 2.095 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc(CNC(N)=O)cc2)n1 ZINC000041520709 401929378 /nfs/dbraw/zinc/92/93/78/401929378.db2.gz KYJWLHFSUGPUAX-LBPRGKRZSA-N 0 3 314.370 2.110 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)CC1 ZINC000080079539 401888028 /nfs/dbraw/zinc/88/80/28/401888028.db2.gz FSJILFJDACVESR-GOSISDBHSA-N 0 3 314.429 2.374 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000119080376 401924284 /nfs/dbraw/zinc/92/42/84/401924284.db2.gz KRIRRKBCNKNTPP-AEFFLSMTSA-N 0 3 312.413 2.255 20 30 DEEDHN C[C@@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccccc1C#N ZINC000151140889 402018793 /nfs/dbraw/zinc/01/87/93/402018793.db2.gz BUTTTXAULGZJKZ-ODVANORSSA-N 0 3 313.401 2.432 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn(CCC(C)C)nn2)CC1 ZINC000151713698 402052134 /nfs/dbraw/zinc/05/21/34/402052134.db2.gz HMUPDTDCAAVDKO-UHFFFAOYSA-N 0 3 319.453 2.095 20 30 DEEDHN CN(C)CCOc1ccccc1CNC(=O)C1(C#N)CCCC1 ZINC000122832265 402097072 /nfs/dbraw/zinc/09/70/72/402097072.db2.gz JOXVNZOFENZXTI-UHFFFAOYSA-N 0 3 315.417 2.327 20 30 DEEDHN CC(C)COc1ccc(C(C)(C)NCC(=O)NCC#N)cc1 ZINC000066539891 402136193 /nfs/dbraw/zinc/13/61/93/402136193.db2.gz NUMLTXOMFUUWJT-UHFFFAOYSA-N 0 3 303.406 2.186 20 30 DEEDHN C#CCOc1ccccc1CNC1CCN(C(=O)OC)CC1 ZINC000067254882 402155380 /nfs/dbraw/zinc/15/53/80/402155380.db2.gz GAVJWITWXVMPDU-UHFFFAOYSA-N 0 3 302.374 2.019 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)c1cc(Cl)no1 ZINC001422744897 1172840270 /nfs/dbraw/zinc/84/02/70/1172840270.db2.gz GDRIOROQLYBDHB-QMMMGPOBSA-N 0 3 324.793 2.169 20 30 DEEDHN CCN(CCNC(=O)N(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000102066712 402162438 /nfs/dbraw/zinc/16/24/38/402162438.db2.gz XMGQENIDOPZVEK-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN C=CCCC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000102330099 402165422 /nfs/dbraw/zinc/16/54/22/402165422.db2.gz AELKNRXYOVBBCN-SFHVURJKSA-N 0 3 315.461 2.448 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cscn1 ZINC000103076014 402178394 /nfs/dbraw/zinc/17/83/94/402178394.db2.gz IHTCIOHOBUGSJP-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000106418934 402213223 /nfs/dbraw/zinc/21/32/23/402213223.db2.gz DVDVTMOQWHWVAW-INIZCTEOSA-N 0 3 315.804 2.366 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccn(C)n1)C(C)C ZINC000107053040 402225061 /nfs/dbraw/zinc/22/50/61/402225061.db2.gz ONDMOBMJJLDYHY-AWEZNQCLSA-N 0 3 305.426 2.240 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000107072008 402226092 /nfs/dbraw/zinc/22/60/92/402226092.db2.gz IUMSIDUPFDREHY-KBPBESRZSA-N 0 3 303.406 2.354 20 30 DEEDHN CN1CCC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000108328088 402250069 /nfs/dbraw/zinc/25/00/69/402250069.db2.gz PCZAQHUVEJECMM-AWEZNQCLSA-N 0 3 303.431 2.108 20 30 DEEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)CCCCC#N)C1 ZINC000068898578 402208433 /nfs/dbraw/zinc/20/84/33/402208433.db2.gz OLNWVYZKWNTGGM-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185782425 402376713 /nfs/dbraw/zinc/37/67/13/402376713.db2.gz ZODAGJIKYYKCBT-HUUCEWRRSA-N 0 3 321.446 2.109 20 30 DEEDHN C#CCCOc1ccc(CN[C@H]2CCN(C(=O)OCC)C2)cc1 ZINC000185778150 402376722 /nfs/dbraw/zinc/37/67/22/402376722.db2.gz JITYYIRPXPUKHE-INIZCTEOSA-N 0 3 316.401 2.409 20 30 DEEDHN CC(C)[C@H](CCO)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000162004811 402406248 /nfs/dbraw/zinc/40/62/48/402406248.db2.gz QXXLZPLJZUCDAA-IRXDYDNUSA-N 0 3 315.417 2.050 20 30 DEEDHN C[C@]1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCCS1 ZINC000163111762 402441944 /nfs/dbraw/zinc/44/19/44/402441944.db2.gz VJTAGNFGWWHAFZ-OAHLLOKOSA-N 0 3 324.471 2.207 20 30 DEEDHN COC(=O)[C@@H](C)CN(CCOc1ccc(C#N)cc1)C1CC1 ZINC000171299555 402575488 /nfs/dbraw/zinc/57/54/88/402575488.db2.gz GZBNTGWFBVXRJU-ZDUSSCGKSA-N 0 3 302.374 2.211 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)cc2OC)C1(C)C ZINC000190016722 402570422 /nfs/dbraw/zinc/57/04/22/402570422.db2.gz JMUCPHQYGPGSGV-FUHWJXTLSA-N 0 3 318.417 2.223 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1csc(CN)n1)C(C)C ZINC000178706795 402528801 /nfs/dbraw/zinc/52/88/01/402528801.db2.gz APMAZAGCLPUVFC-AWEZNQCLSA-N 0 3 322.478 2.030 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccn2)CC1 ZINC000171552991 402594086 /nfs/dbraw/zinc/59/40/86/402594086.db2.gz NQYKYBMMYZZYCE-AWEZNQCLSA-N 0 3 302.422 2.482 20 30 DEEDHN C=CCC[C@@H](O)CN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179563120 402594389 /nfs/dbraw/zinc/59/43/89/402594389.db2.gz OWSNJLVLHPRVAN-IAGOWNOFSA-N 0 3 302.418 2.267 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(C(C)(C)C)c2C)CC1 ZINC000171718410 402614509 /nfs/dbraw/zinc/61/45/09/402614509.db2.gz QCPYSGOOPCENBS-UHFFFAOYSA-N 0 3 304.438 2.327 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(Br)o2)CC1 ZINC000171725427 402615062 /nfs/dbraw/zinc/61/50/62/402615062.db2.gz JHEFTQOSBDRCQE-UHFFFAOYSA-N 0 3 313.195 2.422 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000171729851 402615524 /nfs/dbraw/zinc/61/55/24/402615524.db2.gz FKXDEFNNVQHESX-QGZVFWFLSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CC[C@@H](C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181631090 402652147 /nfs/dbraw/zinc/65/21/47/402652147.db2.gz ZPDRXKINHQTASB-PBHICJAKSA-N 0 3 317.433 2.017 20 30 DEEDHN COC(=O)[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000191805697 402693623 /nfs/dbraw/zinc/69/36/23/402693623.db2.gz HUVJSGJMUGNUAA-CJNGLKHVSA-N 0 3 302.374 2.068 20 30 DEEDHN N#Cc1ccccc1N1CCCN(CCCn2ccnc2)CC1 ZINC000183173244 402744514 /nfs/dbraw/zinc/74/45/14/402744514.db2.gz AVTCKHPFDHGXQW-UHFFFAOYSA-N 0 3 309.417 2.357 20 30 DEEDHN CC(C)N(CCN1CCO[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000192727336 402746775 /nfs/dbraw/zinc/74/67/75/402746775.db2.gz XUONIJOAPWJHMX-MRXNPFEDSA-N 0 3 301.434 2.489 20 30 DEEDHN CN(C)CCN1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000263738961 402797628 /nfs/dbraw/zinc/79/76/28/402797628.db2.gz DOZUSMNTEILFBN-UHFFFAOYSA-N 0 3 307.829 2.045 20 30 DEEDHN COCCN1CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000194585209 402804397 /nfs/dbraw/zinc/80/43/97/402804397.db2.gz UXYXPDGWGIFFMR-UHFFFAOYSA-N 0 3 316.405 2.099 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000184430307 402843483 /nfs/dbraw/zinc/84/34/83/402843483.db2.gz ZMMSVDBLOQHQCJ-UHFFFAOYSA-N 0 3 315.417 2.023 20 30 DEEDHN COc1ccc(CN[C@@H](C)C[S@@](C)=O)cc1OCCCC#N ZINC000184266879 402831464 /nfs/dbraw/zinc/83/14/64/402831464.db2.gz NOECLQYSBITSIZ-WHEQGISXSA-N 0 3 324.446 2.234 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000264473102 402881776 /nfs/dbraw/zinc/88/17/76/402881776.db2.gz JJNKKERFETZFRH-UHFFFAOYSA-N 0 3 300.362 2.050 20 30 DEEDHN COc1cccc(C2(NCCC(=O)N(C)CCC#N)CC2)c1 ZINC000271733234 402883531 /nfs/dbraw/zinc/88/35/31/402883531.db2.gz SVIMHFBDVKXVAT-UHFFFAOYSA-N 0 3 301.390 2.036 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000264525529 402886226 /nfs/dbraw/zinc/88/62/26/402886226.db2.gz YHILWOXDJMKAIN-UHFFFAOYSA-N 0 3 318.417 2.013 20 30 DEEDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C#N)cc1 ZINC000264587349 402890064 /nfs/dbraw/zinc/89/00/64/402890064.db2.gz FMCDMPSKHAUIBH-INIZCTEOSA-N 0 3 312.369 2.136 20 30 DEEDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C#N)cc1 ZINC000264587349 402890066 /nfs/dbraw/zinc/89/00/66/402890066.db2.gz FMCDMPSKHAUIBH-INIZCTEOSA-N 0 3 312.369 2.136 20 30 DEEDHN N#Cc1ccccc1NC(=O)CCN1CCN(C2CCC2)CC1 ZINC000265111879 402894710 /nfs/dbraw/zinc/89/47/10/402894710.db2.gz HSFXHNPMXLQSRA-UHFFFAOYSA-N 0 3 312.417 2.057 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000265159291 402896877 /nfs/dbraw/zinc/89/68/77/402896877.db2.gz ZSXXGLVOQHVPHJ-UHFFFAOYSA-N 0 3 304.459 2.487 20 30 DEEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000279069995 402900410 /nfs/dbraw/zinc/90/04/10/402900410.db2.gz SYJSNRFZZGJNNT-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN COCC[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272234740 402912743 /nfs/dbraw/zinc/91/27/43/402912743.db2.gz RXJYMWQCRWRLFP-BBRMVZONSA-N 0 3 301.390 2.068 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1N(C)C ZINC000272418359 402934706 /nfs/dbraw/zinc/93/47/06/402934706.db2.gz AWWPTVXOCVAIEH-KBPBESRZSA-N 0 3 322.409 2.207 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000266524125 402971052 /nfs/dbraw/zinc/97/10/52/402971052.db2.gz ASZXODGEYOGIAM-LSDHHAIUSA-N 0 3 302.443 2.239 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@H](CSc2ccccc2)C1 ZINC000266524120 402971099 /nfs/dbraw/zinc/97/10/99/402971099.db2.gz ASZXODGEYOGIAM-CABCVRRESA-N 0 3 302.443 2.239 20 30 DEEDHN N#Cc1ccc(NCc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000273223948 402984603 /nfs/dbraw/zinc/98/46/03/402984603.db2.gz QWMHCECURWJLDO-SFHVURJKSA-N 0 3 308.385 2.132 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280304258 402985826 /nfs/dbraw/zinc/98/58/26/402985826.db2.gz NALCBNRVVCULRV-MSOLQXFVSA-N 0 3 324.428 2.230 20 30 DEEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000280311058 402986756 /nfs/dbraw/zinc/98/67/56/402986756.db2.gz GBNOVUTUXZPQNI-HZPDHXFCSA-N 0 3 313.401 2.418 20 30 DEEDHN C=CCc1cc(CN2CC[C@](C)(C(=O)NC)C2)cc(OC)c1O ZINC000280891223 403047605 /nfs/dbraw/zinc/04/76/05/403047605.db2.gz DMAXTKKSXMKNOA-SFHVURJKSA-N 0 3 318.417 2.087 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280905942 403048876 /nfs/dbraw/zinc/04/88/76/403048876.db2.gz UAZLVQQUYMSGPQ-YJBOKZPZSA-N 0 3 324.428 2.231 20 30 DEEDHN CC1CCN(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280965476 403054989 /nfs/dbraw/zinc/05/49/89/403054989.db2.gz YPGJDFOOFVCCPX-SFHVURJKSA-N 0 3 324.428 2.089 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268474675 403086474 /nfs/dbraw/zinc/08/64/74/403086474.db2.gz MYKOSHXMNWPFTD-UKRRQHHQSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268474675 403086475 /nfs/dbraw/zinc/08/64/75/403086475.db2.gz MYKOSHXMNWPFTD-UKRRQHHQSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268474675 403086476 /nfs/dbraw/zinc/08/64/76/403086476.db2.gz MYKOSHXMNWPFTD-UKRRQHHQSA-N 0 3 319.453 2.106 20 30 DEEDHN CN(CCC#N)c1ccc(CNCC2([S@](C)=O)CC2)cc1 ZINC000282505278 403155323 /nfs/dbraw/zinc/15/53/23/403155323.db2.gz WZSIDTKBWKHJJN-NRFANRHFSA-N 0 3 305.447 2.037 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1ccncn1)C(C)C ZINC000277299762 403202861 /nfs/dbraw/zinc/20/28/61/403202861.db2.gz MXGADAQVQLOTKK-QGZVFWFLSA-N 0 3 316.449 2.224 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NC(C)=O)c(F)c2)CC1 ZINC000277300580 403203095 /nfs/dbraw/zinc/20/30/95/403203095.db2.gz BQAXLZJZPKGIIN-UHFFFAOYSA-N 0 3 319.380 2.164 20 30 DEEDHN Cn1cc(CNCc2ccc(N3CCOCC3)cc2)cc1C#N ZINC000276971581 403196497 /nfs/dbraw/zinc/19/64/97/403196497.db2.gz PQQCOMASPZQQMU-UHFFFAOYSA-N 0 3 310.401 2.023 20 30 DEEDHN C=CCCOCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000270526454 403198161 /nfs/dbraw/zinc/19/81/61/403198161.db2.gz UQFBARLTPNDIEM-KRWDZBQOSA-N 0 3 319.449 2.051 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000285260763 403279646 /nfs/dbraw/zinc/27/96/46/403279646.db2.gz XKHKRAWNOLLAFP-DAXOMENPSA-N 0 3 315.442 2.395 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@H](O)c3ccccc3)C2)nc1 ZINC000292332506 403357001 /nfs/dbraw/zinc/35/70/01/403357001.db2.gz WMGYYKUSSKQEML-IRXDYDNUSA-N 0 3 309.369 2.140 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCN1C ZINC000331126202 403333971 /nfs/dbraw/zinc/33/39/71/403333971.db2.gz QMGNKENWDUEZGS-UKRRQHHQSA-N 0 3 315.417 2.315 20 30 DEEDHN N#Cc1ncn(CCNCc2ccc(SC(F)F)cc2)n1 ZINC000285603852 403336976 /nfs/dbraw/zinc/33/69/76/403336976.db2.gz VIRFNPDRAAYBNS-UHFFFAOYSA-N 0 3 309.345 2.254 20 30 DEEDHN Cc1cccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c1C#N ZINC000331283249 403369531 /nfs/dbraw/zinc/36/95/31/403369531.db2.gz RPKUSTIVZPAPKA-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331273531 403367274 /nfs/dbraw/zinc/36/72/74/403367274.db2.gz CTRPYZHPDCNTRZ-DZKIICNBSA-N 0 3 318.417 2.427 20 30 DEEDHN C=CCc1cc(C(=O)NC[C@@H](C)N(C)C)cc(OC)c1OC ZINC000298367467 403367690 /nfs/dbraw/zinc/36/76/90/403367690.db2.gz SXINEODWGLSJRZ-GFCCVEGCSA-N 0 3 306.406 2.112 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCN(C)CC1)C(C)C ZINC000298654602 403433601 /nfs/dbraw/zinc/43/36/01/403433601.db2.gz GFMXTGZTRUZQIP-QGZVFWFLSA-N 0 3 322.497 2.032 20 30 DEEDHN N#Cc1ccnc(NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000286084482 403445883 /nfs/dbraw/zinc/44/58/83/403445883.db2.gz ACRLZIATFDRAIY-QGZVFWFLSA-N 0 3 308.385 2.132 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000343173302 403486682 /nfs/dbraw/zinc/48/66/82/403486682.db2.gz JKFJLNBSMLFOTF-OWCLPIDISA-N 0 3 323.481 2.084 20 30 DEEDHN CC[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)N(C)C ZINC000299126619 403528641 /nfs/dbraw/zinc/52/86/41/403528641.db2.gz XOZHHPDVMSABLO-CHWSQXEVSA-N 0 3 324.222 2.470 20 30 DEEDHN CC(C)SCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287199612 403556204 /nfs/dbraw/zinc/55/62/04/403556204.db2.gz USPINFWRNSPCQG-HNNXBMFYSA-N 0 3 301.415 2.498 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000293529822 403496087 /nfs/dbraw/zinc/49/60/87/403496087.db2.gz PIVKCVCEBKLCSX-MRXNPFEDSA-N 0 3 314.433 2.227 20 30 DEEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000286317757 403498713 /nfs/dbraw/zinc/49/87/13/403498713.db2.gz FGPMMUBVEKOLSZ-MRXNPFEDSA-N 0 3 315.417 2.448 20 30 DEEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000293577755 403509352 /nfs/dbraw/zinc/50/93/52/403509352.db2.gz CCHCHCJFCAVANM-UHFFFAOYSA-N 0 3 312.360 2.494 20 30 DEEDHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(C#N)CCc1ccccc1 ZINC000346826111 403603692 /nfs/dbraw/zinc/60/36/92/403603692.db2.gz DVNAANIVCWIIPC-YESZJQIVSA-N 0 3 300.402 2.378 20 30 DEEDHN CC[C@H]1C[C@H](CN2CCN(c3ccc(C#N)cn3)CC2)CCO1 ZINC000332403792 403572690 /nfs/dbraw/zinc/57/26/90/403572690.db2.gz VWIPFLMFOVNFMC-WBVHZDCISA-N 0 3 314.433 2.280 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000347092682 403615451 /nfs/dbraw/zinc/61/54/51/403615451.db2.gz APMTXHYQLVNLAV-NEPJUHHUSA-N 0 3 307.344 2.205 20 30 DEEDHN C=CC[C@H](C(=O)N1CCCN([C@@H](C)CO)CC1)c1ccccc1 ZINC000347201789 403620879 /nfs/dbraw/zinc/62/08/79/403620879.db2.gz FHVQLCSEEPOMDC-WMZOPIPTSA-N 0 3 316.445 2.261 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000294042237 403631852 /nfs/dbraw/zinc/63/18/52/403631852.db2.gz SNNWFTSMJZQBQQ-UHFFFAOYSA-N 0 3 311.385 2.335 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1ncc[nH]1)C(C)C ZINC000287647353 403642551 /nfs/dbraw/zinc/64/25/51/403642551.db2.gz QZNXEJPWHHXYCL-OAHLLOKOSA-N 0 3 304.438 2.157 20 30 DEEDHN COCC1(C#N)CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000347327333 403665699 /nfs/dbraw/zinc/66/56/99/403665699.db2.gz MQGYMVJOPSIRIN-UHFFFAOYSA-N 0 3 315.417 2.141 20 30 DEEDHN CN(CCC#N)C(=O)CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000347439060 403709694 /nfs/dbraw/zinc/70/96/94/403709694.db2.gz WGNACASSEDNRII-OAHLLOKOSA-N 0 3 323.824 2.115 20 30 DEEDHN CC[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCCO1 ZINC000333167906 403684297 /nfs/dbraw/zinc/68/42/97/403684297.db2.gz PDVUOKJDNJTQDH-IHRRRGAJSA-N 0 3 319.430 2.272 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H]1C ZINC001088874758 782005915 /nfs/dbraw/zinc/00/59/15/782005915.db2.gz WONPVELSUVXFPZ-OCCSQVGLSA-N 0 3 306.356 2.489 20 30 DEEDHN COC1CCN(CCNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000301900920 403698747 /nfs/dbraw/zinc/69/87/47/403698747.db2.gz VEJWVIUAYCJWHR-UHFFFAOYSA-N 0 3 314.433 2.355 20 30 DEEDHN Cc1cc(N2CC(N(C)C)C2)n2c3ccccc3nc2c1C#N ZINC000301922291 403702088 /nfs/dbraw/zinc/70/20/88/403702088.db2.gz XSHTZJXHZITBOL-UHFFFAOYSA-N 0 3 305.385 2.418 20 30 DEEDHN CC1(C)CN(c2ccc(C#N)nn2)CCN1Cc1ccccc1 ZINC000301951326 403704914 /nfs/dbraw/zinc/70/49/14/403704914.db2.gz BPJMIWHYGDBBJR-UHFFFAOYSA-N 0 3 307.401 2.449 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000288703696 403762949 /nfs/dbraw/zinc/76/29/49/403762949.db2.gz DMTAYFXYQBVOLU-UHFFFAOYSA-N 0 3 318.380 2.390 20 30 DEEDHN C#CCCNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000288029974 403711998 /nfs/dbraw/zinc/71/19/98/403711998.db2.gz QQVGSWIQSCIUJL-QGZVFWFLSA-N 0 3 317.433 2.399 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C1(CC)CC ZINC000187050020 286383448 /nfs/dbraw/zinc/38/34/48/286383448.db2.gz PRUZNFAXHVPWTC-UXLLHSPISA-N 0 3 321.465 2.368 20 30 DEEDHN C=C[C@H](CC(=O)N[C@@H](CO)CN1CCCCC1)c1ccccc1 ZINC000288614512 403759912 /nfs/dbraw/zinc/75/99/12/403759912.db2.gz VDIZIPNHSCLJHB-SJLPKXTDSA-N 0 3 316.445 2.309 20 30 DEEDHN Cc1nc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1C#N ZINC000341071091 403760910 /nfs/dbraw/zinc/76/09/10/403760910.db2.gz QQSBMIVDHINXGB-CHWSQXEVSA-N 0 3 300.406 2.254 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000295227556 403804427 /nfs/dbraw/zinc/80/44/27/403804427.db2.gz YWEWWNYDSBHURP-INIZCTEOSA-N 0 3 314.429 2.148 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000295196342 403792818 /nfs/dbraw/zinc/79/28/18/403792818.db2.gz VMSGXQCSXSINDB-KDOFPFPSSA-N 0 3 314.429 2.393 20 30 DEEDHN COc1cccc(-c2noc([C@H](C)NC(=O)C(C)C#N)n2)c1 ZINC000347752387 403844504 /nfs/dbraw/zinc/84/45/04/403844504.db2.gz HTKSDBXGRJHLGO-UWVGGRQHSA-N 0 3 300.318 2.082 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)CC1 ZINC000295508197 403963515 /nfs/dbraw/zinc/96/35/15/403963515.db2.gz PETCNXIKAHCSHM-RHSMWYFYSA-N 0 3 312.413 2.360 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000411636655 403918894 /nfs/dbraw/zinc/91/88/94/403918894.db2.gz DSUQQBSMQZDHAW-HNNXBMFYSA-N 0 3 321.440 2.443 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1nc(CC(F)(F)F)no1 ZINC000411641197 403921678 /nfs/dbraw/zinc/92/16/78/403921678.db2.gz LQJNRUBCFIQUJA-UHFFFAOYSA-N 0 3 306.332 2.114 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)[C@H](CO)C1 ZINC000362079344 403923794 /nfs/dbraw/zinc/92/37/94/403923794.db2.gz UDCABTLUJLDPIG-KKUMJFAQSA-N 0 3 322.474 2.211 20 30 DEEDHN COc1ccc(C#N)cc1CN(C)C1CCC(NC(C)=O)CC1 ZINC000344130740 403928680 /nfs/dbraw/zinc/92/86/80/403928680.db2.gz YKGSGSRZABUFLW-UHFFFAOYSA-N 0 3 315.417 2.446 20 30 DEEDHN CCOC[C@@H]1CCCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000313442912 403984954 /nfs/dbraw/zinc/98/49/54/403984954.db2.gz KIJSRZJOSOJZTF-DLBZAZTESA-N 0 3 318.417 2.189 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1CN(C)C ZINC000362798850 403988607 /nfs/dbraw/zinc/98/86/07/403988607.db2.gz SSYWABRODJLAHB-SJORKVTESA-N 0 3 302.418 2.346 20 30 DEEDHN C=CCOCCCN1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000348032783 404013529 /nfs/dbraw/zinc/01/35/29/404013529.db2.gz MCLFHTJQRIVNJA-UHFFFAOYSA-N 0 3 304.438 2.278 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc2ccccc2o1 ZINC000362939171 404014838 /nfs/dbraw/zinc/01/48/38/404014838.db2.gz XANWGHSYFFBCCI-LLVKDONJSA-N 0 3 307.371 2.038 20 30 DEEDHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000354791431 404015282 /nfs/dbraw/zinc/01/52/82/404015282.db2.gz OWOFETRLBVXURY-IJEWVQPXSA-N 0 3 316.401 2.463 20 30 DEEDHN C=C[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000362617218 403975390 /nfs/dbraw/zinc/97/53/90/403975390.db2.gz ZTGUTDDWORWANJ-MRXNPFEDSA-N 0 3 301.434 2.280 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1OC(F)F ZINC000348523332 404075895 /nfs/dbraw/zinc/07/58/95/404075895.db2.gz CZFWKSUCOHQKEN-OZTPJHRESA-N 0 3 317.380 2.179 20 30 DEEDHN C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1F ZINC000344352924 404076316 /nfs/dbraw/zinc/07/63/16/404076316.db2.gz BUPOKICAHCMWET-AEGPPILISA-N 0 3 303.381 2.211 20 30 DEEDHN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H](C)O ZINC000348699951 404094097 /nfs/dbraw/zinc/09/40/97/404094097.db2.gz AYABAJYPVWCRKC-AWEZNQCLSA-N 0 3 313.405 2.061 20 30 DEEDHN NC(=O)[C@@]1(c2ccccc2)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000411972368 404038507 /nfs/dbraw/zinc/03/85/07/404038507.db2.gz VTBMSCLMDPLMOA-FQEVSTJZSA-N 0 3 322.383 2.306 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000290107604 404043028 /nfs/dbraw/zinc/04/30/28/404043028.db2.gz JHRGYPHPGREKEF-YOEHRIQHSA-N 0 3 314.429 2.361 20 30 DEEDHN CCn1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)ccc1=O ZINC000348131266 404043804 /nfs/dbraw/zinc/04/38/04/404043804.db2.gz BRIVAVYRFBGGJE-OAHLLOKOSA-N 0 3 320.352 2.061 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000351985773 404055643 /nfs/dbraw/zinc/05/56/43/404055643.db2.gz BDYXAVPECXIEBH-ZDUSSCGKSA-N 0 3 304.394 2.250 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000363073947 404063271 /nfs/dbraw/zinc/06/32/71/404063271.db2.gz FWPIEAVIDVADQI-HOCLYGCPSA-N 0 3 313.401 2.022 20 30 DEEDHN C[C@H](c1cnn(C)c1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348420017 404067655 /nfs/dbraw/zinc/06/76/55/404067655.db2.gz ZJOXXDCWSXEUCP-CZUORRHYSA-N 0 3 321.384 2.194 20 30 DEEDHN CC(C)N1CCCN(C(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000328617948 404114737 /nfs/dbraw/zinc/11/47/37/404114737.db2.gz UQODWOHSZSPFFR-HNNXBMFYSA-N 0 3 319.453 2.091 20 30 DEEDHN CCN1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000328636426 404119740 /nfs/dbraw/zinc/11/97/40/404119740.db2.gz AIDIFLBKMNUACU-HNNXBMFYSA-N 0 3 319.453 2.011 20 30 DEEDHN CC(=O)N[C@H](CC(=O)N1CCN2CCC[C@H]2C1)c1cccs1 ZINC000328670711 404129242 /nfs/dbraw/zinc/12/92/42/404129242.db2.gz MVPQXQSVVVQAPT-UONOGXRCSA-N 0 3 321.446 2.462 20 30 DEEDHN COC1(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000354968087 404129923 /nfs/dbraw/zinc/12/99/23/404129923.db2.gz XSLBADYPDMLDDE-INIZCTEOSA-N 0 3 311.385 2.316 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000328679042 404131246 /nfs/dbraw/zinc/13/12/46/404131246.db2.gz TUHAEOOTJBRBCF-DZGCQCFKSA-N 0 3 304.438 2.356 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000412113986 404142960 /nfs/dbraw/zinc/14/29/60/404142960.db2.gz XRACZYUEVHGQHH-QUCCMNQESA-N 0 3 322.408 2.400 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)CCN1C ZINC000328825027 404157206 /nfs/dbraw/zinc/15/72/06/404157206.db2.gz PWTNGNIYDLSEQY-KFWWJZLASA-N 0 3 309.454 2.322 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000369741829 404215153 /nfs/dbraw/zinc/21/51/53/404215153.db2.gz OBPZYTGCNGFBGG-ARFHVFGLSA-N 0 3 321.465 2.140 20 30 DEEDHN CC(C)n1cc([C@@H]2CN([C@@H]3CC[C@@H](C#N)C3)C[C@H]2CO)cn1 ZINC000328828142 404157866 /nfs/dbraw/zinc/15/78/66/404157866.db2.gz JUQMAJNQTBWXIE-XBVQOTNRSA-N 0 3 302.422 2.164 20 30 DEEDHN CC[C@H](C)[C@@](C)(O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000350003114 404291060 /nfs/dbraw/zinc/29/10/60/404291060.db2.gz LSDQCYXBVZBCFU-OWQGQXMQSA-N 0 3 313.401 2.154 20 30 DEEDHN CN(CCSCC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000344583545 404238627 /nfs/dbraw/zinc/23/86/27/404238627.db2.gz LNWSQCLMZATFJD-UHFFFAOYSA-N 0 3 317.458 2.414 20 30 DEEDHN C[C@@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCC[C@H](C)C1 ZINC000349876652 404240282 /nfs/dbraw/zinc/24/02/82/404240282.db2.gz REALJPPGYTZWMI-KBPBESRZSA-N 0 3 317.408 2.476 20 30 DEEDHN C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)C[C@H]1C(N)=O ZINC000329202096 404264594 /nfs/dbraw/zinc/26/45/94/404264594.db2.gz VWZSPCHHQSKPLB-MRVWCRGKSA-N 0 3 308.426 2.020 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000329215783 404267756 /nfs/dbraw/zinc/26/77/56/404267756.db2.gz NHOGNLVHFMNCAL-OLZOCXBDSA-N 0 3 306.410 2.093 20 30 DEEDHN Cc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cnn1CC(C)C ZINC000329416125 404331760 /nfs/dbraw/zinc/33/17/60/404331760.db2.gz FPCDBFBRDSLKGY-HOCLYGCPSA-N 0 3 319.453 2.419 20 30 DEEDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000352411350 404352463 /nfs/dbraw/zinc/35/24/63/404352463.db2.gz XXQYFDDQCLVYFY-KRWDZBQOSA-N 0 3 323.400 2.339 20 30 DEEDHN CNC(=O)CC1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000329329068 404303230 /nfs/dbraw/zinc/30/32/30/404303230.db2.gz YDECCNKSTXBVMQ-CYBMUJFWSA-N 0 3 322.453 2.239 20 30 DEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000355248284 404308879 /nfs/dbraw/zinc/30/88/79/404308879.db2.gz ZVGZQMLLNXDYBN-WBMJQRKESA-N 0 3 320.352 2.219 20 30 DEEDHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)no1 ZINC000329346062 404309091 /nfs/dbraw/zinc/30/90/91/404309091.db2.gz CCWIOJVCBNVLQU-SUHUHFCYSA-N 0 3 319.409 2.054 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000355318874 404323033 /nfs/dbraw/zinc/32/30/33/404323033.db2.gz ROWIBHXIBDMQET-WMLDXEAASA-N 0 3 318.417 2.173 20 30 DEEDHN CN1CCCC[C@@H]1CCC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000329518447 404363010 /nfs/dbraw/zinc/36/30/10/404363010.db2.gz PQUNARKDKOEVEZ-CYBMUJFWSA-N 0 3 316.467 2.175 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000296938496 404380627 /nfs/dbraw/zinc/38/06/27/404380627.db2.gz PIPZIXUUMLXVSQ-OAHLLOKOSA-N 0 3 317.408 2.280 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](O)CC1)C(C)C ZINC000296964834 404393624 /nfs/dbraw/zinc/39/36/24/404393624.db2.gz DELJHLSQRWYVBA-DLBZAZTESA-N 0 3 323.481 2.241 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(O)cc2)cc1 ZINC000350481146 404399789 /nfs/dbraw/zinc/39/97/89/404399789.db2.gz QWQXIPPGXCCOAH-MRXNPFEDSA-N 0 3 305.337 2.263 20 30 DEEDHN CN(C)CCN(C(=O)c1cccc(SCC#N)c1)C1CC1 ZINC000356296014 404430929 /nfs/dbraw/zinc/43/09/29/404430929.db2.gz LRLATHKMIRVAPO-UHFFFAOYSA-N 0 3 303.431 2.468 20 30 DEEDHN CC(=O)NCCN(Cc1ccc(C#N)cc1)C1CCSCC1 ZINC000338592269 404424594 /nfs/dbraw/zinc/42/45/94/404424594.db2.gz MDKIBNYLNXRUMZ-UHFFFAOYSA-N 0 3 317.458 2.392 20 30 DEEDHN C[C@H](NC(=O)N(C)C[C@@H]1CCCC[C@H]1O)C1=CCN(C)CC1 ZINC000329697181 404425146 /nfs/dbraw/zinc/42/51/46/404425146.db2.gz DZUIKTZUKAAIJW-CWRNSKLLSA-N 0 3 309.454 2.034 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCc2n[nH]cc2C1 ZINC000329945503 404502573 /nfs/dbraw/zinc/50/25/73/404502573.db2.gz JBYYZHUKIGFONX-WFASDCNBSA-N 0 3 302.422 2.488 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000297262102 404523904 /nfs/dbraw/zinc/52/39/04/404523904.db2.gz BTVGOBMKHKVJIE-SFHVURJKSA-N 0 3 312.417 2.186 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)C12CCCC2 ZINC000329812543 404457854 /nfs/dbraw/zinc/45/78/54/404457854.db2.gz SCUGVJYTAVXYHL-CWRNSKLLSA-N 0 3 321.465 2.465 20 30 DEEDHN C=CCn1c(CCCC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000350751896 404462804 /nfs/dbraw/zinc/46/28/04/404462804.db2.gz JNJNSNNMRPJBHF-HNNXBMFYSA-N 0 3 303.454 2.480 20 30 DEEDHN CCCNC(=O)[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000330207420 404586115 /nfs/dbraw/zinc/58/61/15/404586115.db2.gz AGVAIWFWAJCPDT-OAHLLOKOSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000345104957 404551224 /nfs/dbraw/zinc/55/12/24/404551224.db2.gz JQVMQEIFMGPWPE-KBPBESRZSA-N 0 3 310.417 2.144 20 30 DEEDHN CC(C)CCN(CCC#N)C(=O)Nc1ccnn1CCN(C)C ZINC000297382870 404552913 /nfs/dbraw/zinc/55/29/13/404552913.db2.gz MCTZBLGTRYSYRG-UHFFFAOYSA-N 0 3 320.441 2.238 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342410897 404561042 /nfs/dbraw/zinc/56/10/42/404561042.db2.gz PKUQDGSTPOZBRN-GJZGRUSLSA-N 0 3 315.417 2.345 20 30 DEEDHN C[C@H](Cn1cccn1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000330138167 404563661 /nfs/dbraw/zinc/56/36/61/404563661.db2.gz OEPZPFBDXUYWJC-OAHLLOKOSA-N 0 3 319.453 2.136 20 30 DEEDHN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCN(C2CCCCC2)CC1 ZINC000330138167 404563666 /nfs/dbraw/zinc/56/36/66/404563666.db2.gz OEPZPFBDXUYWJC-OAHLLOKOSA-N 0 3 319.453 2.136 20 30 DEEDHN Cc1nnccc1NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000330146048 404565013 /nfs/dbraw/zinc/56/50/13/404565013.db2.gz HSWQXLQZXRORSG-FZMZJTMJSA-N 0 3 300.366 2.110 20 30 DEEDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H]1OC ZINC000345129511 404567366 /nfs/dbraw/zinc/56/73/66/404567366.db2.gz ISVJRWWZAAKEII-BFHYXJOUSA-N 0 3 307.438 2.121 20 30 DEEDHN CCC1(CC)[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H]1OC ZINC000345129512 404568055 /nfs/dbraw/zinc/56/80/55/404568055.db2.gz ISVJRWWZAAKEII-MCIONIFRSA-N 0 3 307.438 2.121 20 30 DEEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NC[C@H]1Cc2ccccc2O1 ZINC000330241301 404597989 /nfs/dbraw/zinc/59/79/89/404597989.db2.gz FPRBHVBZIVDRQB-IIDMSEBBSA-N 0 3 316.401 2.104 20 30 DEEDHN Cc1nnsc1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000330239115 404598007 /nfs/dbraw/zinc/59/80/07/404598007.db2.gz DPAFPJOZQOGQIO-UHFFFAOYSA-N 0 3 323.466 2.211 20 30 DEEDHN CC(C)OC[C@H](C)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000373871592 404622693 /nfs/dbraw/zinc/62/26/93/404622693.db2.gz DGQCPUSNRDQAEY-YOEHRIQHSA-N 0 3 315.417 2.062 20 30 DEEDHN N#CCCCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000292016071 404628401 /nfs/dbraw/zinc/62/84/01/404628401.db2.gz YTGUCHWYGYJQTM-KRWDZBQOSA-N 0 3 315.417 2.088 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000357288703 404731895 /nfs/dbraw/zinc/73/18/95/404731895.db2.gz SZHHHEJYARNNNL-YQQAZPJKSA-N 0 3 319.449 2.162 20 30 DEEDHN C=CCN1CCC(NC(=O)COCCc2ccccc2)CC1 ZINC000357821748 404745031 /nfs/dbraw/zinc/74/50/31/404745031.db2.gz QVGUUKBEIXSEHH-UHFFFAOYSA-N 0 3 302.418 2.012 20 30 DEEDHN Cc1ccc2ncc(C#N)c(NC[C@H]3CN4CCC[C@H]4CO3)c2c1 ZINC000366177253 404767167 /nfs/dbraw/zinc/76/71/67/404767167.db2.gz JHMCAXJNWUMPFQ-HOTGVXAUSA-N 0 3 322.412 2.112 20 30 DEEDHN C=CC[C@H](CO)CN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000353005154 404717368 /nfs/dbraw/zinc/71/73/68/404717368.db2.gz TUVWCXVQYLRTOB-GUYCJALGSA-N 0 3 303.381 2.423 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357020698 404724409 /nfs/dbraw/zinc/72/44/09/404724409.db2.gz GARQJSGVLLQEJO-XYJFISCASA-N 0 3 318.461 2.179 20 30 DEEDHN COc1cc(CN2CCNC[C@H]2c2ccncc2)ccc1C#N ZINC000414758462 404725864 /nfs/dbraw/zinc/72/58/64/404725864.db2.gz CRBWHZDGANDJSL-KRWDZBQOSA-N 0 3 308.385 2.108 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCO[C@@H](CC)C2)CC1 ZINC000358985549 404780749 /nfs/dbraw/zinc/78/07/49/404780749.db2.gz USTDZBSYQGWGMH-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000359423057 404793043 /nfs/dbraw/zinc/79/30/43/404793043.db2.gz ZUWBVNIJYAGFOG-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN Cc1csc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)n1 ZINC000359918494 404809446 /nfs/dbraw/zinc/80/94/46/404809446.db2.gz REKWUMYOPGDZJV-SECBINFHSA-N 0 3 303.303 2.001 20 30 DEEDHN C=CCN(C[C@@H](C)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000360018645 404812722 /nfs/dbraw/zinc/81/27/22/404812722.db2.gz VOSYRBNHWLHNRR-ZIAGYGMSSA-N 0 3 301.394 2.246 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCOCC2(CC2)C1 ZINC000360095471 404818465 /nfs/dbraw/zinc/81/84/65/404818465.db2.gz AWOJJNPMEMPOIJ-QGZVFWFLSA-N 0 3 317.429 2.267 20 30 DEEDHN CN1CCC(Oc2ccc(NC(=O)CCCC#N)cn2)CC1 ZINC000360398647 404826913 /nfs/dbraw/zinc/82/69/13/404826913.db2.gz YKZWRIFEPGEVLV-UHFFFAOYSA-N 0 3 302.378 2.187 20 30 DEEDHN CN(C[C@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CCCC#N ZINC000360718832 404835465 /nfs/dbraw/zinc/83/54/65/404835465.db2.gz UNMUPEDOZGWLKV-WBVHZDCISA-N 0 3 300.406 2.227 20 30 DEEDHN C[C@@H]1[C@H](NCc2cc(C#N)n(C)c2)CC(=O)N1Cc1ccccc1 ZINC000366991456 404891372 /nfs/dbraw/zinc/89/13/72/404891372.db2.gz SBOFMCXOYYUBCT-RDTXWAMCSA-N 0 3 322.412 2.176 20 30 DEEDHN C[C@H]1[C@@H](NCc2cc(C#N)n(C)c2)CC(=O)N1Cc1ccccc1 ZINC000366991455 404891665 /nfs/dbraw/zinc/89/16/65/404891665.db2.gz SBOFMCXOYYUBCT-KSSFIOAISA-N 0 3 322.412 2.176 20 30 DEEDHN Cn1cc(CNc2cccc(CN3CC[C@@H](O)C3)c2)cc1C#N ZINC000361050234 404894617 /nfs/dbraw/zinc/89/46/17/404894617.db2.gz IGZYBFQUUHNBTB-GOSISDBHSA-N 0 3 310.401 2.075 20 30 DEEDHN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccccn1 ZINC000353522922 404856457 /nfs/dbraw/zinc/85/64/57/404856457.db2.gz STHGWIQGFQBXFV-ZDUSSCGKSA-N 0 3 306.325 2.315 20 30 DEEDHN C[C@H](N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)O ZINC000451373272 404972351 /nfs/dbraw/zinc/97/23/51/404972351.db2.gz RPFZCZDKICTBFS-BBRMVZONSA-N 0 3 315.417 2.145 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000424098885 405005974 /nfs/dbraw/zinc/00/59/74/405005974.db2.gz HWFBZBPGJNIJKD-ULQDDVLXSA-N 0 3 315.417 2.292 20 30 DEEDHN COC1([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000416026299 405009701 /nfs/dbraw/zinc/00/97/01/405009701.db2.gz JHLSKDSDZJYRFO-XJKSGUPXSA-N 0 3 311.385 2.314 20 30 DEEDHN CC(=O)Nc1cc(NC(=O)[C@H](N)CCCC#N)ccc1Cl ZINC000424109663 405009993 /nfs/dbraw/zinc/00/99/93/405009993.db2.gz WEXABNDVTBKBPU-GFCCVEGCSA-N 0 3 308.769 2.258 20 30 DEEDHN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424127552 405015195 /nfs/dbraw/zinc/01/51/95/405015195.db2.gz QCZRVVRNWSMHEB-CQSZACIVSA-N 0 3 317.389 2.097 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000424129988 405016821 /nfs/dbraw/zinc/01/68/21/405016821.db2.gz DUVORUMPKNOXNH-KBPBESRZSA-N 0 3 320.462 2.022 20 30 DEEDHN Cc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](N)CCCC#N)CCC2 ZINC000424146657 405020741 /nfs/dbraw/zinc/02/07/41/405020741.db2.gz PXNSSRRXVRSUMN-WCQYABFASA-N 0 3 306.435 2.309 20 30 DEEDHN C=CCOCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000354060257 405024142 /nfs/dbraw/zinc/02/41/42/405024142.db2.gz BSODWWOGRDSOOB-UHFFFAOYSA-N 0 3 317.433 2.278 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000424163807 405026390 /nfs/dbraw/zinc/02/63/90/405026390.db2.gz ASGMZJAFDHPIQY-STQMWFEESA-N 0 3 313.323 2.470 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000424168579 405027827 /nfs/dbraw/zinc/02/78/27/405027827.db2.gz GDALFMCFQPAGLU-HZPDHXFCSA-N 0 3 300.406 2.111 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000424173206 405029572 /nfs/dbraw/zinc/02/95/72/405029572.db2.gz NWHHJOCLFWVGOJ-HNNXBMFYSA-N 0 3 307.344 2.477 20 30 DEEDHN CCc1cc(=O)c2cc(NC(=O)[C@@H](N)CCCC#N)ccc2[nH]1 ZINC000424173470 405030054 /nfs/dbraw/zinc/03/00/54/405030054.db2.gz PYSOXQDFFXYSFT-AWEZNQCLSA-N 0 3 312.373 2.050 20 30 DEEDHN COc1ccc(C[C@@H](C)CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424178924 405031424 /nfs/dbraw/zinc/03/14/24/405031424.db2.gz XUXXYNSTBRVDKG-CZUORRHYSA-N 0 3 303.406 2.011 20 30 DEEDHN C=C(C)CS(=O)(=O)N(C)C(C)(C)CN1CCCCCC1 ZINC000435421450 404978173 /nfs/dbraw/zinc/97/81/73/404978173.db2.gz ICHFVAJISTYGLK-UHFFFAOYSA-N 0 3 302.484 2.479 20 30 DEEDHN COc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C2CC2)cc1 ZINC000424062044 404990287 /nfs/dbraw/zinc/99/02/87/404990287.db2.gz KFBYBYIPHZXEHZ-HZPDHXFCSA-N 0 3 301.390 2.284 20 30 DEEDHN C[C@H](C#N)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435636100 405000486 /nfs/dbraw/zinc/00/04/86/405000486.db2.gz KDAKFDTWPKJXRA-GDBMZVCRSA-N 0 3 323.400 2.428 20 30 DEEDHN CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424088902 405001321 /nfs/dbraw/zinc/00/13/21/405001321.db2.gz JZVRSTINNFUNJE-ZDUSSCGKSA-N 0 3 302.378 2.303 20 30 DEEDHN COc1ccccc1CCNC(=O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000436281788 405067558 /nfs/dbraw/zinc/06/75/58/405067558.db2.gz FJNGVFMOPRFBSJ-GOEBONIOSA-N 0 3 315.417 2.026 20 30 DEEDHN C#C[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000367527297 405074389 /nfs/dbraw/zinc/07/43/89/405074389.db2.gz NJSMNSKTNNMKSS-HIFRSBDPSA-N 0 3 306.356 2.282 20 30 DEEDHN CC(C#N)S(=O)(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000416415642 405136012 /nfs/dbraw/zinc/13/60/12/405136012.db2.gz UJZXDNSQSBALSH-VHDGCEQUSA-N 0 3 303.387 2.000 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000437504077 405203088 /nfs/dbraw/zinc/20/30/88/405203088.db2.gz TVDRXYSFFVGYMH-IAGOWNOFSA-N 0 3 302.418 2.459 20 30 DEEDHN C=CCCn1cc(C(=O)Nc2ccc(CN(C)C)c(C)c2)nn1 ZINC000424889234 405206576 /nfs/dbraw/zinc/20/65/76/405206576.db2.gz HJHJIYIKYASNHI-UHFFFAOYSA-N 0 3 313.405 2.477 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000437731525 405217134 /nfs/dbraw/zinc/21/71/34/405217134.db2.gz USHQQAGHPJZENA-OAGGEKHMSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000437731524 405217722 /nfs/dbraw/zinc/21/77/22/405217722.db2.gz USHQQAGHPJZENA-JYJNAYRXSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000437930541 405224968 /nfs/dbraw/zinc/22/49/68/405224968.db2.gz JHHDZLFFGUNOCR-CVEARBPZSA-N 0 3 311.470 2.197 20 30 DEEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2c(C)ccn2C)n1 ZINC000439656232 405288137 /nfs/dbraw/zinc/28/81/37/405288137.db2.gz RBEPJNWXWUEDQJ-SNVBAGLBSA-N 0 3 317.370 2.457 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(C3CC3)CC2)cc1 ZINC000368330821 405236220 /nfs/dbraw/zinc/23/62/20/405236220.db2.gz MOEBMVJFIMLJHI-QGZVFWFLSA-N 0 3 300.402 2.420 20 30 DEEDHN CN(C)[C@H](CNC(=O)NCC1(C#N)CCC1)Cc1ccccc1 ZINC000419408082 405248401 /nfs/dbraw/zinc/24/84/01/405248401.db2.gz XNXTUQBZPICMDU-INIZCTEOSA-N 0 3 314.433 2.152 20 30 DEEDHN COc1cc(CNCc2ccc(NC(N)=O)cc2)ccc1C#N ZINC000440816684 405327961 /nfs/dbraw/zinc/32/79/61/405327961.db2.gz ZERZYTMYQJOWFK-UHFFFAOYSA-N 0 3 310.357 2.347 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(N(C)C(C)=O)cc2)CC1 ZINC000426350073 405352991 /nfs/dbraw/zinc/35/29/91/405352991.db2.gz DQQUEWIZAUXUER-UHFFFAOYSA-N 0 3 315.417 2.050 20 30 DEEDHN C=CCN1CC[C@H](N2CC3(CCC3)[C@H]2C2CCOCC2)C1=O ZINC000425547495 405301202 /nfs/dbraw/zinc/30/12/02/405301202.db2.gz FSTOTDJKNVBOQX-JKSUJKDBSA-N 0 3 304.434 2.054 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCC2CC(F)(F)C2)CC1 ZINC000454553090 405362875 /nfs/dbraw/zinc/36/28/75/405362875.db2.gz UYXGZVYVTBBAMP-UHFFFAOYSA-N 0 3 301.381 2.371 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H](C)c1ccccc1 ZINC000429707372 405444175 /nfs/dbraw/zinc/44/41/75/405444175.db2.gz IYNRZOODOFDUMK-INIZCTEOSA-N 0 3 303.450 2.304 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C ZINC000455774465 405449374 /nfs/dbraw/zinc/44/93/74/405449374.db2.gz CIPWBPZSBAHSQI-ZJUUUORDSA-N 0 3 307.785 2.211 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)C[C@@H]1N(C)C ZINC000455899283 405459618 /nfs/dbraw/zinc/45/96/18/405459618.db2.gz AFBFXRKPBYPAEH-GJZGRUSLSA-N 0 3 318.446 2.262 20 30 DEEDHN CC(C)[C@@H](CNCc1ccc(C#N)c(F)c1)N1CCN(C)CC1 ZINC000421332011 405464722 /nfs/dbraw/zinc/46/47/22/405464722.db2.gz KZADDMOROJKRTP-GOSISDBHSA-N 0 3 318.440 2.059 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c(F)c3)C2)C1 ZINC000580526815 405635204 /nfs/dbraw/zinc/63/52/04/405635204.db2.gz FPYRYFVWZCPTFW-MRXNPFEDSA-N 0 3 302.353 2.257 20 30 DEEDHN CSC1(CNC(=O)NCC(C)(C)CC#N)CCN(C)CC1 ZINC000458779887 405586701 /nfs/dbraw/zinc/58/67/01/405586701.db2.gz CGHTUQULBWRENC-UHFFFAOYSA-N 0 3 312.483 2.053 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000557232041 405588670 /nfs/dbraw/zinc/58/86/70/405588670.db2.gz RCXLWROFBKWOGH-ZACQAIPSSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2nccn2C)cc1 ZINC000449519818 405594805 /nfs/dbraw/zinc/59/48/05/405594805.db2.gz NSGHZURCDNLWRR-SJORKVTESA-N 0 3 313.401 2.432 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000458937063 405663770 /nfs/dbraw/zinc/66/37/70/405663770.db2.gz NZKOJIUQAFVKBO-HOTGVXAUSA-N 0 3 311.470 2.123 20 30 DEEDHN CN(C)C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000557923253 405635430 /nfs/dbraw/zinc/63/54/30/405635430.db2.gz YOBAIPJOZOPHOF-MRXNPFEDSA-N 0 3 312.348 2.125 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC000457077450 405683095 /nfs/dbraw/zinc/68/30/95/405683095.db2.gz CPTCJTBTVQDEOF-ZBFHGGJFSA-N 0 3 315.417 2.267 20 30 DEEDHN COc1ccc(C)cc1CCNCc1cnc2c(C#N)cnn2c1 ZINC000559273765 405729625 /nfs/dbraw/zinc/72/96/25/405729625.db2.gz XENFBINECIYYPJ-UHFFFAOYSA-N 0 3 321.384 2.250 20 30 DEEDHN COCCCN1CCC(Nc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450299594 405823168 /nfs/dbraw/zinc/82/31/68/405823168.db2.gz BKLVQTCFFJLRDL-UHFFFAOYSA-N 0 3 318.377 2.379 20 30 DEEDHN CCOC[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000529892710 405770042 /nfs/dbraw/zinc/77/00/42/405770042.db2.gz CKJLBTJAVPCPFS-IAGOWNOFSA-N 0 3 316.401 2.023 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)C(F)(F)C2)CC1 ZINC000494812736 405770202 /nfs/dbraw/zinc/77/02/02/405770202.db2.gz OCJSOUPPLYIMAJ-LBPRGKRZSA-N 0 3 301.381 2.324 20 30 DEEDHN CN(C)[C@]1(CNc2cccc(C#N)c2[N+](=O)[O-])CCSC1 ZINC000450361341 405857170 /nfs/dbraw/zinc/85/71/70/405857170.db2.gz CHYNRSAAEXQRHJ-AWEZNQCLSA-N 0 3 306.391 2.316 20 30 DEEDHN C[C@H](C#N)OCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495615748 405925901 /nfs/dbraw/zinc/92/59/01/405925901.db2.gz BWXYFXGUOAWXJE-ZBFHGGJFSA-N 0 3 323.437 2.438 20 30 DEEDHN CC(C)OC(=O)[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433375342 405937559 /nfs/dbraw/zinc/93/75/59/405937559.db2.gz PELOSVLDWWVUBK-GDBMZVCRSA-N 0 3 316.401 2.463 20 30 DEEDHN C[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450545834 405949639 /nfs/dbraw/zinc/94/96/39/405949639.db2.gz BRCIEFJJHDXZNI-LBPRGKRZSA-N 0 3 300.362 2.387 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nnc2n1CCCC2 ZINC000433305300 405918288 /nfs/dbraw/zinc/91/82/88/405918288.db2.gz NARQZKWKQQYVNY-HNNXBMFYSA-N 0 3 323.400 2.003 20 30 DEEDHN CCCN(CC(=O)N(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000433308509 405919344 /nfs/dbraw/zinc/91/93/44/405919344.db2.gz YVYVHYFYKVOTAB-INIZCTEOSA-N 0 3 315.417 2.086 20 30 DEEDHN Cc1ccc2ncc(C#N)c(NC[C@@H]3CCCN3CCCO)c2c1 ZINC000450595295 405971016 /nfs/dbraw/zinc/97/10/16/405971016.db2.gz MCYHKQZAPSMFHB-INIZCTEOSA-N 0 3 324.428 2.096 20 30 DEEDHN N#Cc1cc2c(nc1NC[C@H]1CCCN1CCCO)CCCC2 ZINC000450598458 405973048 /nfs/dbraw/zinc/97/30/48/405973048.db2.gz QRAQAAAIHKNJBR-MRXNPFEDSA-N 0 3 314.433 2.091 20 30 DEEDHN N#CCCCNC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000565771115 406083341 /nfs/dbraw/zinc/08/33/41/406083341.db2.gz YLLFFJUQOOYXDJ-GFCCVEGCSA-N 0 3 302.296 2.338 20 30 DEEDHN Cc1ccc(CNC[C@H](O)CN(C)CCC#N)c(OC(C)C)c1 ZINC000566111767 406085975 /nfs/dbraw/zinc/08/59/75/406085975.db2.gz GUEJIJZFJMXVIY-KRWDZBQOSA-N 0 3 319.449 2.078 20 30 DEEDHN C=C(C)CN(CC[C@H]1CCNC1=O)Cc1cnn(C(C)C)c1 ZINC000566426073 406088564 /nfs/dbraw/zinc/08/85/64/406088564.db2.gz MNPPEEXBOHANGN-MRXNPFEDSA-N 0 3 304.438 2.368 20 30 DEEDHN CCO[C@H]1C[C@H]1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000567039868 406093187 /nfs/dbraw/zinc/09/31/87/406093187.db2.gz BSCMZCJSJIONIQ-CVEARBPZSA-N 0 3 311.389 2.126 20 30 DEEDHN CO[C@@](C)(CNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000516651225 406100443 /nfs/dbraw/zinc/10/04/43/406100443.db2.gz VGUUTUOMEHQZBR-SFHVURJKSA-N 0 3 321.384 2.252 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000514537419 406054093 /nfs/dbraw/zinc/05/40/93/406054093.db2.gz SMSZBBJEJOJPRH-ZWKOTPCHSA-N 0 3 305.418 2.231 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634274428 406078068 /nfs/dbraw/zinc/07/80/68/406078068.db2.gz IFXHUWNNDFXNLT-KURKYZTESA-N 0 3 314.429 2.277 20 30 DEEDHN CCc1ccc([C@H](CNC(=O)NCC2(C#N)CC2)N(C)C)cc1 ZINC000518866404 406162708 /nfs/dbraw/zinc/16/27/08/406162708.db2.gz RABQULPUWDRYRN-INIZCTEOSA-N 0 3 314.433 2.455 20 30 DEEDHN CCc1ccc(CCNCc2cnc3c(C#N)cnn3c2)cc1 ZINC000567887982 406154909 /nfs/dbraw/zinc/15/49/09/406154909.db2.gz WFFOUCJTYFXRHB-UHFFFAOYSA-N 0 3 305.385 2.496 20 30 DEEDHN COC(=O)c1ccc(N[C@H](C)CN2CCC[C@H](C)C2)c(C#N)n1 ZINC000519659868 406230984 /nfs/dbraw/zinc/23/09/84/406230984.db2.gz YIOSMKWCLARMMZ-QWHCGFSZSA-N 0 3 316.405 2.272 20 30 DEEDHN CC(C)(CNC(=O)Nc1cccc(C#N)n1)N1CCCCC1 ZINC000519536034 406207179 /nfs/dbraw/zinc/20/71/79/406207179.db2.gz DGPLNKMJXLLXMG-UHFFFAOYSA-N 0 3 301.394 2.339 20 30 DEEDHN C=CCOc1cccc(CNCCN2CCO[C@@H](CC)C2)c1 ZINC000487167741 406211690 /nfs/dbraw/zinc/21/16/90/406211690.db2.gz RAYMQTPQUZLBEU-KRWDZBQOSA-N 0 3 304.434 2.452 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639752923 406235981 /nfs/dbraw/zinc/23/59/81/406235981.db2.gz XTLZGZQQMRMTHL-HZPDHXFCSA-N 0 3 309.498 2.462 20 30 DEEDHN Cn1ccnc1[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000536068646 406250034 /nfs/dbraw/zinc/25/00/34/406250034.db2.gz JSNDDCQPTCHUCG-OAHLLOKOSA-N 0 3 323.400 2.110 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](OC(C)C)C1 ZINC000568997536 292383076 /nfs/dbraw/zinc/38/30/76/292383076.db2.gz MLTLDCVFECHQOR-OAHLLOKOSA-N 0 3 304.390 2.445 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000487648186 406253285 /nfs/dbraw/zinc/25/32/85/406253285.db2.gz ABSUSKUYHZRDSL-WMLDXEAASA-N 0 3 302.418 2.459 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)[C@H]1CCC[C@H]1C ZINC000487948904 406275209 /nfs/dbraw/zinc/27/52/09/406275209.db2.gz FASUGOIOTSQELS-OAGGEKHMSA-N 0 3 309.454 2.132 20 30 DEEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H](C)C(C)(C)C)CC1 ZINC000538138922 406294481 /nfs/dbraw/zinc/29/44/81/406294481.db2.gz GVDDYEWWYCNRIF-HZPDHXFCSA-N 0 3 322.497 2.045 20 30 DEEDHN CCc1nn(CCN2C[C@H](C)C[C@H](C)C2)c(=O)c(C#N)c1CC ZINC000570699115 406429916 /nfs/dbraw/zinc/42/99/16/406429916.db2.gz PQXRWCFHEHCWJN-OKILXGFUSA-N 0 3 316.449 2.218 20 30 DEEDHN CN1CCN([C@H](CN[C@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000521762109 406365052 /nfs/dbraw/zinc/36/50/52/406365052.db2.gz PKQQIDOZDJGIAG-HRCADAONSA-N 0 3 318.490 2.318 20 30 DEEDHN CN1CCN([C@H](CN[C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000521762107 406365359 /nfs/dbraw/zinc/36/53/59/406365359.db2.gz PKQQIDOZDJGIAG-ARFHVFGLSA-N 0 3 318.490 2.318 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc(OCC)cc2)CC1 ZINC000490575008 406471708 /nfs/dbraw/zinc/47/17/08/406471708.db2.gz JSGOYZXQCITAFB-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000491122164 406531370 /nfs/dbraw/zinc/53/13/70/406531370.db2.gz TZRCWZPOOKYIQX-WBMJQRKESA-N 0 3 308.809 2.145 20 30 DEEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)cn1 ZINC000548795970 406554495 /nfs/dbraw/zinc/55/44/95/406554495.db2.gz WUQVRIKSVJLVSA-UHFFFAOYSA-N 0 3 310.357 2.276 20 30 DEEDHN C#CCN1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC000491296527 406563443 /nfs/dbraw/zinc/56/34/43/406563443.db2.gz MKTIVOWMUQBXRB-HZPDHXFCSA-N 0 3 322.449 2.404 20 30 DEEDHN C#C[C@@H](NC(=O)NCCN(CC)C1CC1)c1ccc(F)cc1 ZINC000491621155 406635704 /nfs/dbraw/zinc/63/57/04/406635704.db2.gz GBBVDCCHDOQMLL-MRXNPFEDSA-N 0 3 303.381 2.284 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)c(F)c1 ZINC000550653933 406605331 /nfs/dbraw/zinc/60/53/31/406605331.db2.gz JOJPUSRAQBHPGP-QGZVFWFLSA-N 0 3 317.408 2.384 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000550715278 406606054 /nfs/dbraw/zinc/60/60/54/406606054.db2.gz CDGPSHLSOFMCIV-UHFFFAOYSA-N 0 3 314.433 2.454 20 30 DEEDHN C#C[C@@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccc(F)cc1 ZINC000491536117 406613998 /nfs/dbraw/zinc/61/39/98/406613998.db2.gz HWRVABMNWRYYAS-SJLPKXTDSA-N 0 3 315.392 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(OC)cc2)CC1 ZINC000491543424 406616409 /nfs/dbraw/zinc/61/64/09/406616409.db2.gz BIJJOOAJRZUKSG-TWGQIWQCSA-N 0 3 300.402 2.475 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000491351335 406574524 /nfs/dbraw/zinc/57/45/24/406574524.db2.gz SVKZVWXSXINDKR-HNNXBMFYSA-N 0 3 300.402 2.014 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1coc(C2CCCCC2)n1 ZINC000491405854 406586430 /nfs/dbraw/zinc/58/64/30/406586430.db2.gz LAWIORZCKAKYGR-UHFFFAOYSA-N 0 3 303.406 2.407 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCCc2cccnc2)CC1 ZINC000491667495 406658446 /nfs/dbraw/zinc/65/84/46/406658446.db2.gz RMBFRKIVHJCPRR-INIZCTEOSA-N 0 3 313.445 2.254 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000491690716 406670091 /nfs/dbraw/zinc/67/00/91/406670091.db2.gz CJOZJUYRAUSSND-UHFFFAOYSA-N 0 3 317.820 2.435 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000491704994 406678038 /nfs/dbraw/zinc/67/80/38/406678038.db2.gz VBBBIIHUEVMKNC-UHFFFAOYSA-N 0 3 319.836 2.404 20 30 DEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000491712114 406683780 /nfs/dbraw/zinc/68/37/80/406683780.db2.gz XIZGOYLUIZYXDG-DGCLKSJQSA-N 0 3 301.308 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 ZINC000491732580 406693311 /nfs/dbraw/zinc/69/33/11/406693311.db2.gz JSYZKYBGFARSGL-LSDHHAIUSA-N 0 3 311.495 2.257 20 30 DEEDHN C#CCNC(=O)CCNC[C@H](Cc1ccccc1)C(F)(F)F ZINC000491747428 406700416 /nfs/dbraw/zinc/70/04/16/406700416.db2.gz RLZNNSBPNWBMIM-AWEZNQCLSA-N 0 3 312.335 2.137 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000491776485 406712322 /nfs/dbraw/zinc/71/23/22/406712322.db2.gz FUUIFBQDTOTLCB-QGZVFWFLSA-N 0 3 321.465 2.075 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1CCC(F)(F)CC1 ZINC000491774961 406712839 /nfs/dbraw/zinc/71/28/39/406712839.db2.gz DCKJIVWVOKIURX-UHFFFAOYSA-N 0 3 301.381 2.066 20 30 DEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000553781575 406773695 /nfs/dbraw/zinc/77/36/95/406773695.db2.gz CDLWIVVTFPQNFC-MPGHIAIKSA-N 0 3 311.429 2.289 20 30 DEEDHN CCc1c(NC(=O)[C@@H](N)CCCC#N)onc1C(F)(F)F ZINC000574809552 406787072 /nfs/dbraw/zinc/78/70/72/406787072.db2.gz SKEQRYKFXMARIP-QMMMGPOBSA-N 0 3 304.272 2.215 20 30 DEEDHN Cn1ncc2c1CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000576089186 406828619 /nfs/dbraw/zinc/82/86/19/406828619.db2.gz LHCGZZANQWIMGY-INIZCTEOSA-N 0 3 322.412 2.467 20 30 DEEDHN C=CCCCS(=O)(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000644191529 407102873 /nfs/dbraw/zinc/10/28/73/407102873.db2.gz QBJHUBJGJGBTIG-CQSZACIVSA-N 0 3 324.446 2.112 20 30 DEEDHN C=CCOCCNC[C@H](O)COc1ccc2ccccc2c1 ZINC000644617841 407153793 /nfs/dbraw/zinc/15/37/93/407153793.db2.gz FVCCDJQTMCROMO-KRWDZBQOSA-N 0 3 301.386 2.372 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000645035381 407226138 /nfs/dbraw/zinc/22/61/38/407226138.db2.gz RVXVMZRWXBWNMM-GJZGRUSLSA-N 0 3 309.454 2.093 20 30 DEEDHN COC1CCC(CCNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000571087702 292525609 /nfs/dbraw/zinc/52/56/09/292525609.db2.gz DBLMOJWOUIPRSR-UHFFFAOYSA-N 0 3 313.405 2.286 20 30 DEEDHN CCN(CC)C(=O)CN1CCCN(CC(C)(C)CCC#N)CC1 ZINC000129266166 196033707 /nfs/dbraw/zinc/03/37/07/196033707.db2.gz KSHNDCARHSIDLW-UHFFFAOYSA-N 0 3 322.497 2.192 20 30 DEEDHN CS(=O)(=O)Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000192790961 225142082 /nfs/dbraw/zinc/14/20/82/225142082.db2.gz PHTSUSWSNBFLDM-CJNGLKHVSA-N 0 3 306.431 2.403 20 30 DEEDHN N#CCOc1ccccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264659452 225317289 /nfs/dbraw/zinc/31/72/89/225317289.db2.gz YIAWVHWUUPOVMQ-OAHLLOKOSA-N 0 3 313.401 2.289 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000295806871 225259021 /nfs/dbraw/zinc/25/90/21/225259021.db2.gz BJTJSBCVAJIXCF-VCTAVGKDSA-N 0 3 319.405 2.356 20 30 DEEDHN Cc1csc(C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000265403763 225331487 /nfs/dbraw/zinc/33/14/87/225331487.db2.gz AVFMLQHETWCCIG-NSHDSACASA-N 0 3 315.354 2.469 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330857754 226035918 /nfs/dbraw/zinc/03/59/18/226035918.db2.gz QKBGDKRMPNWXCS-LLVKDONJSA-N 0 3 310.329 2.305 20 30 DEEDHN COCCN1CC[C@H](NC(=O)NC2CCC(C(C)C)CC2)C1 ZINC000331066265 226056063 /nfs/dbraw/zinc/05/60/63/226056063.db2.gz YCCXBALMZKCRGZ-GPANFISMSA-N 0 3 311.470 2.426 20 30 DEEDHN C[C@H](O)CCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000331124612 226062621 /nfs/dbraw/zinc/06/26/21/226062621.db2.gz CUFDHPGIVRNODC-YQQAZPJKSA-N 0 3 319.449 2.439 20 30 DEEDHN C[C@H]1CC[C@@H](N(CCO)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000331206479 226069462 /nfs/dbraw/zinc/06/94/62/226069462.db2.gz YGKXKYPSLLGZDJ-JKSUJKDBSA-N 0 3 321.465 2.154 20 30 DEEDHN COc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)ccc1OCCO ZINC000339066248 226178653 /nfs/dbraw/zinc/17/86/53/226178653.db2.gz GFLLYLJOVQOTJZ-GUTXKFCHSA-N 0 3 304.390 2.409 20 30 DEEDHN C[C@](NCCCC1(C#N)CCOCC1)(C(N)=O)c1ccccc1 ZINC000337148397 226128774 /nfs/dbraw/zinc/12/87/74/226128774.db2.gz GYSPKVSXDXHJPG-QGZVFWFLSA-N 0 3 315.417 2.077 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCc2ccc(NC(=O)[C@H](C)C#N)cc21 ZINC000337619768 226139671 /nfs/dbraw/zinc/13/96/71/226139671.db2.gz NPZPBKWACXKHRB-HSMVNMDESA-N 0 3 324.384 2.438 20 30 DEEDHN COC[C@@]1(C)CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000296715793 226154460 /nfs/dbraw/zinc/15/44/60/226154460.db2.gz NGNGRDXEJZFXFI-KRWDZBQOSA-N 0 3 304.390 2.304 20 30 DEEDHN N#CCCCCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000338727921 226169720 /nfs/dbraw/zinc/16/97/20/226169720.db2.gz GMGYGIQXCFKPHA-UHFFFAOYSA-N 0 3 307.360 2.267 20 30 DEEDHN N#CCCCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362877945 226905535 /nfs/dbraw/zinc/90/55/35/226905535.db2.gz UJUPGQBCZWJSKS-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN N#CC1CCC(CNC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000374240660 227127644 /nfs/dbraw/zinc/12/76/44/227127644.db2.gz XANNCYDBUGEWHP-VMBOVVBDSA-N 0 3 319.449 2.076 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2cccc(OC)c2)C[C@@H]1C ZINC001328265506 1148758698 /nfs/dbraw/zinc/75/86/98/1148758698.db2.gz BYHBSZBFUWMACD-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)[C@H]1C ZINC001088900019 782029964 /nfs/dbraw/zinc/02/99/64/782029964.db2.gz MVRUNMHSLHAWLR-WBMJQRKESA-N 0 3 311.385 2.319 20 30 DEEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000404161022 269805314 /nfs/dbraw/zinc/80/53/14/269805314.db2.gz ZFCNGAZJCYZPAC-KGLIPLIRSA-N 0 3 310.394 2.143 20 30 DEEDHN Cc1cc(NC(=O)N(C)CCN2CCCCC2)ncc1C#N ZINC000603110225 422443051 /nfs/dbraw/zinc/44/30/51/422443051.db2.gz FKOIWBSFFZIIGY-UHFFFAOYSA-N 0 3 301.394 2.211 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCOC3(CCC3)C2)cc1 ZINC000527317698 269963411 /nfs/dbraw/zinc/96/34/11/269963411.db2.gz ICQMXORDKYZWKS-SJORKVTESA-N 0 3 323.396 2.458 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(C2CC2)CC1 ZINC000528509358 269996286 /nfs/dbraw/zinc/99/62/86/269996286.db2.gz ZJHLETIAAKZHST-KRWDZBQOSA-N 0 3 300.402 2.420 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2cnn3ccccc23)CC1 ZINC000648773594 424904397 /nfs/dbraw/zinc/90/43/97/424904397.db2.gz QXZAKRKVFXRXAR-UHFFFAOYSA-N 0 3 312.417 2.034 20 30 DEEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CCN1Cc1ccccc1 ZINC000574052774 424941703 /nfs/dbraw/zinc/94/17/03/424941703.db2.gz BGTMVOQLHZZDKA-RHSMWYFYSA-N 0 3 321.428 3.000 20 30 DEEDHN CN1CCC(n2ccc(NCc3cc(C#N)cs3)n2)CC1 ZINC000579424973 424963207 /nfs/dbraw/zinc/96/32/07/424963207.db2.gz UEVDQLIYHJZUSU-UHFFFAOYSA-N 0 3 301.419 2.695 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000649365324 425001359 /nfs/dbraw/zinc/00/13/59/425001359.db2.gz UAQDMJGDAMDFHA-SFHVURJKSA-N 0 3 314.429 2.225 20 30 DEEDHN CCc1nc(C#N)cc(NCCCN2CCc3ccccc3C2)n1 ZINC000596076393 425016250 /nfs/dbraw/zinc/01/62/50/425016250.db2.gz PHEMQVQZFMXQCE-UHFFFAOYSA-N 0 3 321.428 2.771 20 30 DEEDHN CN1CCC[C@@H](CNc2cc(C#N)cnn2)[C@@H]1c1cccs1 ZINC000596144479 425018838 /nfs/dbraw/zinc/01/88/38/425018838.db2.gz FEIRITDADOPPMZ-XJKSGUPXSA-N 0 3 313.430 2.905 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ccnc(N(C)C)n1)C(C)C ZINC000354093050 425060423 /nfs/dbraw/zinc/06/04/23/425060423.db2.gz VWVKJUIAFXLUOE-HNNXBMFYSA-N 0 3 303.454 2.653 20 30 DEEDHN CC#CCCN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745109 425074456 /nfs/dbraw/zinc/07/44/56/425074456.db2.gz AMSQIPGZLQZCQN-UHFFFAOYSA-N 0 3 320.458 2.329 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc3n2[C@H](C)CCC3)CC1 ZINC000651273777 425126965 /nfs/dbraw/zinc/12/69/65/425126965.db2.gz YPBWMAQMLQPIPG-CYBMUJFWSA-N 0 3 302.422 2.161 20 30 DEEDHN C=CCCn1cc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)nn1 ZINC000653586774 425185688 /nfs/dbraw/zinc/18/56/88/425185688.db2.gz ANFFPJZBOOFCAQ-QAPCUYQASA-N 0 3 315.465 2.303 20 30 DEEDHN C=CCN(C)CCN(CC)C[C@H]1CN(c2ccccc2)CCO1 ZINC000653647374 425200051 /nfs/dbraw/zinc/20/00/51/425200051.db2.gz INTVIZDKIBYGDS-IBGZPJMESA-N 0 3 317.477 2.332 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCN(C)CCOC ZINC000660828495 425247526 /nfs/dbraw/zinc/24/75/26/425247526.db2.gz ZNGZTBFYVWCQKZ-CVEARBPZSA-N 0 3 311.470 2.389 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC[C@]2(C)CC2(F)F)CC1 ZINC000660704103 425212145 /nfs/dbraw/zinc/21/21/45/425212145.db2.gz JRJRIDIXUPPLNS-CQSZACIVSA-N 0 3 301.381 2.371 20 30 DEEDHN C=CCCn1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000657289198 425294367 /nfs/dbraw/zinc/29/43/67/425294367.db2.gz CRHBFHAHJGOILE-QGZVFWFLSA-N 0 3 311.433 2.218 20 30 DEEDHN C=CCCn1cc(CN[C@@H](Cc2ccccc2)CN(C)C)nn1 ZINC000657324221 425303781 /nfs/dbraw/zinc/30/37/81/425303781.db2.gz OYTPPQXPWARUPO-KRWDZBQOSA-N 0 3 313.449 2.117 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cnccc2C#N)CN1Cc1ccccc1 ZINC000358859276 267090748 /nfs/dbraw/zinc/09/07/48/267090748.db2.gz WLXNVEQZDRZMNN-PBHICJAKSA-N 0 3 320.396 2.346 20 30 DEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000308693356 267395674 /nfs/dbraw/zinc/39/56/74/267395674.db2.gz GLDICCVLLFCUIK-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)nn1 ZINC000657689347 425385784 /nfs/dbraw/zinc/38/57/84/425385784.db2.gz LYNCSCIMTCGMJT-WBVHZDCISA-N 0 3 314.437 2.089 20 30 DEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000661379923 425393877 /nfs/dbraw/zinc/39/38/77/425393877.db2.gz JJWYQDNVXHSESL-KBPBESRZSA-N 0 3 315.417 2.401 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000661380870 425394809 /nfs/dbraw/zinc/39/48/09/425394809.db2.gz QNGFLACOTVQACW-WBVHZDCISA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc(N(C)C)c(Cl)c2)CC1 ZINC000654747533 425434798 /nfs/dbraw/zinc/43/47/98/425434798.db2.gz GSXCGXDQPISRCZ-UHFFFAOYSA-N 0 3 322.840 2.181 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC000654747820 425434996 /nfs/dbraw/zinc/43/49/96/425434996.db2.gz NNQVRIQVUJNEDG-KRWDZBQOSA-N 0 3 300.402 2.415 20 30 DEEDHN C=CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)[C@H](C)COC ZINC000664758117 425449214 /nfs/dbraw/zinc/44/92/14/425449214.db2.gz HHZOWXVXTZDLFC-ZBFHGGJFSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N(CC)[C@H]2CCN(C)C2)cc1 ZINC000664870278 425470199 /nfs/dbraw/zinc/47/01/99/425470199.db2.gz XORRRUAKOVAABA-INIZCTEOSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661879901 425519027 /nfs/dbraw/zinc/51/90/27/425519027.db2.gz FQKPVAJQIRMDFO-IAGOWNOFSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCNC(=O)c1ccc(N2CCN(C(C)(C)CC)CC2)nc1 ZINC000656214718 425734721 /nfs/dbraw/zinc/73/47/21/425734721.db2.gz AGWKWOSHZGOUFL-UHFFFAOYSA-N 0 3 316.449 2.308 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)N[C@H](CN)C(F)(F)F ZINC000655913105 425683743 /nfs/dbraw/zinc/68/37/43/425683743.db2.gz RTMXDZAZHWLFSW-SNVBAGLBSA-N 0 3 307.341 2.335 20 30 DEEDHN C=CCCn1cc(CN2CCNC[C@H]2c2cccc(F)c2)nn1 ZINC000655939645 425692141 /nfs/dbraw/zinc/69/21/41/425692141.db2.gz SNOOELWYTVCKOV-KRWDZBQOSA-N 0 3 315.396 2.140 20 30 DEEDHN CN1CCC(Oc2ccc(CNc3nccc(C#N)n3)cc2)CC1 ZINC000519077915 269409633 /nfs/dbraw/zinc/40/96/33/269409633.db2.gz BCZXUDOXJMYSOE-UHFFFAOYSA-N 0 3 323.400 2.433 20 30 DEEDHN CCC[C@]1(NCC(=O)Nc2oc(C)c(C)c2C#N)CCOC1 ZINC000285392733 273623858 /nfs/dbraw/zinc/62/38/58/273623858.db2.gz CBFJTQDLEYSZCO-INIZCTEOSA-N 0 3 305.378 2.255 20 30 DEEDHN CS[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1N1CCCC1 ZINC000275470199 274183424 /nfs/dbraw/zinc/18/34/24/274183424.db2.gz NUDPLUVHZHQFMB-HUUCEWRRSA-N 0 3 302.447 2.278 20 30 DEEDHN C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCN1 ZINC000420248759 274360454 /nfs/dbraw/zinc/36/04/54/274360454.db2.gz WPTPDMNVPMBTCY-MRVPVSSYSA-N 0 3 306.291 2.322 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000279147747 275438781 /nfs/dbraw/zinc/43/87/81/275438781.db2.gz DXTGDMQJHJLGNL-IBGZPJMESA-N 0 3 318.461 2.337 20 30 DEEDHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000330389954 275912380 /nfs/dbraw/zinc/91/23/80/275912380.db2.gz FRPNEJWIUQRBKS-UKRRQHHQSA-N 0 3 321.469 2.277 20 30 DEEDHN CCN(C[C@H]1CCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280106311 276352869 /nfs/dbraw/zinc/35/28/69/276352869.db2.gz SYJAGMLKDWGEMM-DLBZAZTESA-N 0 3 311.385 2.268 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@H]1C ZINC001088929314 782050585 /nfs/dbraw/zinc/05/05/85/782050585.db2.gz UMJYCJUBBFUKGT-PBHICJAKSA-N 0 3 307.397 2.451 20 30 DEEDHN C[C@@H](CCN1CCOCC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358556571 277564189 /nfs/dbraw/zinc/56/41/89/277564189.db2.gz BLUNNJLBORQDRN-KBPBESRZSA-N 0 3 305.397 2.459 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000294489152 277695370 /nfs/dbraw/zinc/69/53/70/277695370.db2.gz PNIWJCZILGVZGG-WBVHZDCISA-N 0 3 302.418 2.224 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@@H](C)C#N)C(C)C ZINC000298658530 277850141 /nfs/dbraw/zinc/85/01/41/277850141.db2.gz HOFOESKXEJAMOU-JKSUJKDBSA-N 0 3 306.454 2.486 20 30 DEEDHN CCN1CCC[C@@H](CN(C)CC2(C#N)CC2)[C@@H]1c1cnn(C)c1 ZINC000434747545 279292106 /nfs/dbraw/zinc/29/21/06/279292106.db2.gz QXKUPPCKGWEKNC-DOTOQJQBSA-N 0 3 315.465 2.429 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-n3cccc3)nc2)[C@H]1C ZINC001088929331 782052082 /nfs/dbraw/zinc/05/20/82/782052082.db2.gz VESNJADAUAKRAT-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]1(C)CCN(CCCc2ccsc2)C1 ZINC001423573754 1173419773 /nfs/dbraw/zinc/41/97/73/1173419773.db2.gz VVICKDIURBRZGQ-XJKSGUPXSA-N 0 3 305.447 2.421 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCO1 ZINC000119500717 289144298 /nfs/dbraw/zinc/14/42/98/289144298.db2.gz SKRGIPZCVZTRFB-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000191719702 293473544 /nfs/dbraw/zinc/47/35/44/293473544.db2.gz REXLGZLSGJMZCM-KKUMJFAQSA-N 0 3 303.406 2.335 20 30 DEEDHN N#C[C@@H]1CC[C@@H](NC[C@H](c2cccs2)N2CCOCC2)C1 ZINC000338963958 294822959 /nfs/dbraw/zinc/82/29/59/294822959.db2.gz RTIIDLBRNLNJBY-RBSFLKMASA-N 0 3 305.447 2.403 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)[C@H]1C ZINC001088956861 782079745 /nfs/dbraw/zinc/07/97/45/782079745.db2.gz UHIKXLJDODLEAW-PBHICJAKSA-N 0 3 322.412 2.293 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(C#N)s2)cnn1C ZINC000328630078 325757426 /nfs/dbraw/zinc/75/74/26/325757426.db2.gz PMXDPMGLAKVZLV-LSDHHAIUSA-N 0 3 302.403 2.282 20 30 DEEDHN CCO[C@H](CNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000576823867 326322146 /nfs/dbraw/zinc/32/21/46/326322146.db2.gz VBTIMXCXRMKGJV-QGZVFWFLSA-N 0 3 321.384 2.468 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1(C#N)CC1 ZINC000559334056 332028526 /nfs/dbraw/zinc/02/85/26/332028526.db2.gz GCPSBYBUMIDJFC-HOCLYGCPSA-N 0 3 312.417 2.110 20 30 DEEDHN N#CCC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000562393449 332588898 /nfs/dbraw/zinc/58/88/98/332588898.db2.gz KXJVEJHEZUROJC-UHFFFAOYSA-N 0 3 304.438 2.340 20 30 DEEDHN N#CCCCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000521402391 333368643 /nfs/dbraw/zinc/36/86/43/333368643.db2.gz HQBMWFGAKXQDLB-INIZCTEOSA-N 0 3 300.406 2.104 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CC)CNC(=O)CN(CC)CC)CC1 ZINC001356888974 1152175397 /nfs/dbraw/zinc/17/53/97/1152175397.db2.gz SGCVXJGUMSVSLR-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC[C@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519142920 335806938 /nfs/dbraw/zinc/80/69/38/335806938.db2.gz DRXCIJLQFZXAHV-LBPRGKRZSA-N 0 3 312.391 2.313 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@H]1C ZINC001088987591 782099195 /nfs/dbraw/zinc/09/91/95/782099195.db2.gz IZVACUGCYNCDOS-ZBFHGGJFSA-N 0 3 312.417 2.191 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@H](CC(F)F)c1ccccc1 ZINC000583079572 337236550 /nfs/dbraw/zinc/23/65/50/337236550.db2.gz BJRPCRSWKQPXBN-HUUCEWRRSA-N 0 3 311.376 2.179 20 30 DEEDHN C#CCN1CCC(C(=O)NCCOC2CCCCCC2)CC1 ZINC000118358910 337850396 /nfs/dbraw/zinc/85/03/96/337850396.db2.gz WWOAECVHNALKEU-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1CCO)C(C)C ZINC000429941620 338092484 /nfs/dbraw/zinc/09/24/84/338092484.db2.gz KQNFEQIMVOSVBS-IRXDYDNUSA-N 0 3 323.481 2.241 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000491770098 339879848 /nfs/dbraw/zinc/87/98/48/339879848.db2.gz LTNKNPLFRAIPST-CYBMUJFWSA-N 0 3 319.405 2.121 20 30 DEEDHN CN(C)C(=O)O[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000496742288 340011816 /nfs/dbraw/zinc/01/18/16/340011816.db2.gz BCUOZBOSCWMADC-OAHLLOKOSA-N 0 3 323.437 2.250 20 30 DEEDHN C=CCOCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496765488 340012339 /nfs/dbraw/zinc/01/23/39/340012339.db2.gz FQGYLMNKFHYQNS-GJZGRUSLSA-N 0 3 310.438 2.378 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000194991704 340598161 /nfs/dbraw/zinc/59/81/61/340598161.db2.gz DHWVVSXJLNJIAU-UHFFFAOYSA-N 0 3 315.373 2.495 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000545986972 341149828 /nfs/dbraw/zinc/14/98/28/341149828.db2.gz SZSOPXCTUGXCLZ-SJLPKXTDSA-N 0 3 302.418 2.094 20 30 DEEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000549750367 341302105 /nfs/dbraw/zinc/30/21/05/341302105.db2.gz BAEHMDBWPMXRRZ-CMPLNLGQSA-N 0 3 303.328 2.069 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)[C@@H]1OC ZINC000248836935 341388162 /nfs/dbraw/zinc/38/81/62/341388162.db2.gz NWHQWKZOZMWEJA-VDNDLQMASA-N 0 3 321.465 2.224 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000248841803 341388255 /nfs/dbraw/zinc/38/82/55/341388255.db2.gz QADDCXBMPRBKQL-RBSFLKMASA-N 0 3 309.454 2.178 20 30 DEEDHN C=C(C)COCCNC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000566117967 341548211 /nfs/dbraw/zinc/54/82/11/341548211.db2.gz ZGCWBGOMSMHUCP-CQSZACIVSA-N 0 3 304.390 2.090 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000566544529 341561474 /nfs/dbraw/zinc/56/14/74/341561474.db2.gz UUMSWVUOYSHRBK-OIISXLGYSA-N 0 3 323.458 2.480 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(OC(C)C)n2)CC1 ZINC000179054545 341977280 /nfs/dbraw/zinc/97/72/80/341977280.db2.gz PXIDAZOWLWMEMX-UHFFFAOYSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1c(C)n[nH]c1C ZINC001377111514 1159910396 /nfs/dbraw/zinc/91/03/96/1159910396.db2.gz QQNYIPRXWJSBHR-NSHDSACASA-N 0 3 312.845 2.196 20 30 DEEDHN O=C(C#CC1CC1)NC1(CNCc2cncs2)CCCCC1 ZINC001329817780 1148999953 /nfs/dbraw/zinc/99/99/53/1148999953.db2.gz ALLAMTHWHOLICQ-UHFFFAOYSA-N 0 3 317.458 2.465 20 30 DEEDHN COCC(=O)NC[C@@H]1CCCCCN1Cc1cccc(C#N)c1 ZINC001378446207 1152331982 /nfs/dbraw/zinc/33/19/82/1152331982.db2.gz UMTIPQKPMMKCGJ-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CNCc1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 ZINC001378472356 1152341658 /nfs/dbraw/zinc/34/16/58/1152341658.db2.gz WORKVCKFQYSDGG-INIZCTEOSA-N 0 3 323.868 2.485 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1cccc1 ZINC001329938959 1149019859 /nfs/dbraw/zinc/01/98/59/1149019859.db2.gz SHKCVAUGYYBZQM-IAGOWNOFSA-N 0 3 301.434 2.433 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)c1ccsn1 ZINC001378580948 1152383021 /nfs/dbraw/zinc/38/30/21/1152383021.db2.gz RIKFXKDRZUTHBX-GFCCVEGCSA-N 0 3 314.414 2.170 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001329969882 1149025247 /nfs/dbraw/zinc/02/52/47/1149025247.db2.gz DRUATZQHBPPTBU-OAHLLOKOSA-N 0 3 302.418 2.134 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C2(COC)CCCCC2)C1 ZINC001329998833 1149030808 /nfs/dbraw/zinc/03/08/08/1149030808.db2.gz IDKBCSVAHRBBGW-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccc(OC)c2)[C@H]1C ZINC001089062882 782143667 /nfs/dbraw/zinc/14/36/67/782143667.db2.gz YVLNXXXSVFILPW-RKVPGOIHSA-N 0 3 314.429 2.401 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001330033080 1149038355 /nfs/dbraw/zinc/03/83/55/1149038355.db2.gz YWMBOYKVHJYHBB-WMLDXEAASA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCCNCc1cn([C@H]2CCN(C(=O)C(C)(C)C)C2)nn1 ZINC001098774678 782149701 /nfs/dbraw/zinc/14/97/01/782149701.db2.gz SBSSPUDHKDLDJF-HNNXBMFYSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)C(F)F)C(C)(C)C1 ZINC001330230549 1149074923 /nfs/dbraw/zinc/07/49/23/1149074923.db2.gz PVKVVOOVLFDXFR-LBPRGKRZSA-N 0 3 318.408 2.307 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)[C@@H](F)Cc2ccccc2)C(C)(C)C1 ZINC001330260691 1149081651 /nfs/dbraw/zinc/08/16/51/1149081651.db2.gz DAJDMHJVWUCRJJ-IRXDYDNUSA-N 0 3 316.420 2.417 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000338728814 533896062 /nfs/dbraw/zinc/89/60/62/533896062.db2.gz UMULESCRTSCTJQ-YOEHRIQHSA-N 0 3 317.408 2.159 20 30 DEEDHN C[C@H]1CN(CC2CCN(C(=O)CC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000377754185 533917833 /nfs/dbraw/zinc/91/78/33/533917833.db2.gz PLPZNHVAEWIXRC-GJZGRUSLSA-N 0 3 321.465 2.274 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1N(C)C ZINC000330696193 534008027 /nfs/dbraw/zinc/00/80/27/534008027.db2.gz DONGODJRNXWJIK-ZIAGYGMSSA-N 0 3 322.409 2.207 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)CCN1C ZINC000330916941 534104416 /nfs/dbraw/zinc/10/44/16/534104416.db2.gz VRNJJTNNIHRDPH-JSGCOSHPSA-N 0 3 303.431 2.249 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3ccccc3C)[C@@H]2C1 ZINC001330365949 1149099769 /nfs/dbraw/zinc/09/97/69/1149099769.db2.gz RSWJWJAHIKKRMR-DSLXNQLJSA-N 0 3 310.441 2.101 20 30 DEEDHN CC(C)OC[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337261933 519771380 /nfs/dbraw/zinc/77/13/80/519771380.db2.gz QPJGJMRLFQZUQC-PBHICJAKSA-N 0 3 315.417 2.457 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000451569406 534581136 /nfs/dbraw/zinc/58/11/36/534581136.db2.gz SHGPETBFZQEYJI-ZACQAIPSSA-N 0 3 318.417 2.005 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)CCN2CCN(C)CC2)CCCC1 ZINC000450716158 534590920 /nfs/dbraw/zinc/59/09/20/534590920.db2.gz XRXUYZKQSXXAJI-MRXNPFEDSA-N 0 3 307.482 2.265 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000451613382 534610967 /nfs/dbraw/zinc/61/09/67/534610967.db2.gz MZOYEYKOXQAILQ-YYQUZTFQSA-N 0 3 318.392 2.421 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000453322866 534611420 /nfs/dbraw/zinc/61/14/20/534611420.db2.gz ABUZOUKKRHGGSO-GLQYFDAESA-N 0 3 310.419 2.052 20 30 DEEDHN C[C@H](NC(=O)N(C)CCN1CCCC1)c1ccc(C#N)cc1 ZINC000112744356 525002989 /nfs/dbraw/zinc/00/29/89/525002989.db2.gz DSMBTKWYPPGOBE-AWEZNQCLSA-N 0 3 300.406 2.356 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001368670691 1148566625 /nfs/dbraw/zinc/56/66/25/1148566625.db2.gz VBPVKWLFZXKXHV-ZIAGYGMSSA-N 0 3 315.889 2.296 20 30 DEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NC1CC1 ZINC000449109388 534840388 /nfs/dbraw/zinc/84/03/88/534840388.db2.gz WGJUZOAVIYPHLP-GFCCVEGCSA-N 0 3 303.362 2.250 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000460765789 534887860 /nfs/dbraw/zinc/88/78/60/534887860.db2.gz DJVXRTKERLJQPJ-QGZVFWFLSA-N 0 3 324.513 2.400 20 30 DEEDHN C=CCN(CCN1CCO[C@H](C)C1)Cc1ccc(OC)cc1 ZINC000191457248 526276132 /nfs/dbraw/zinc/27/61/32/526276132.db2.gz CVZFRCJZAZOUDJ-MRXNPFEDSA-N 0 3 304.434 2.404 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](C)[C@H](CO)C1 ZINC000190863294 526373257 /nfs/dbraw/zinc/37/32/57/526373257.db2.gz UDCABTLUJLDPIG-KFWWJZLASA-N 0 3 322.474 2.211 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000331178045 526415222 /nfs/dbraw/zinc/41/52/22/526415222.db2.gz GCTMJKAMLSRUOM-GDBMZVCRSA-N 0 3 309.454 2.202 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000374416474 526440119 /nfs/dbraw/zinc/44/01/19/526440119.db2.gz RPQWYASABICVHM-INIZCTEOSA-N 0 3 321.465 2.285 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(O)cc2)CC1 ZINC000106330296 526591990 /nfs/dbraw/zinc/59/19/90/526591990.db2.gz BNUSOYKRAFMJQM-UHFFFAOYSA-N 0 3 303.406 2.232 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2nc3cccnc3s2)CC1 ZINC000193932987 526602366 /nfs/dbraw/zinc/60/23/66/526602366.db2.gz PZFRIKRFZBFUBM-UHFFFAOYSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCC1(SC)CCN(C)CC1)OCC ZINC000358174690 526747899 /nfs/dbraw/zinc/74/78/99/526747899.db2.gz YNVVGUYUNBSCBM-CQSZACIVSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000339027969 526770011 /nfs/dbraw/zinc/77/00/11/526770011.db2.gz SEQDLVHSSKXVHI-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCOc1ccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000418162964 526877728 /nfs/dbraw/zinc/87/77/28/526877728.db2.gz GYDWEMSPUWZGHF-ZIAGYGMSSA-N 0 3 303.406 2.143 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000341524688 526965803 /nfs/dbraw/zinc/96/58/03/526965803.db2.gz KSBSMSMZELUSHN-CHWSQXEVSA-N 0 3 301.390 2.001 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190976364 527074549 /nfs/dbraw/zinc/07/45/49/527074549.db2.gz BSIVIFGUFKPNPM-KRWDZBQOSA-N 0 3 302.418 2.360 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@]12CCOC2 ZINC000341914129 527263034 /nfs/dbraw/zinc/26/30/34/527263034.db2.gz LFJREDXIYOQLEI-PKOBYXMFSA-N 0 3 317.429 2.410 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000295925179 527270400 /nfs/dbraw/zinc/27/04/00/527270400.db2.gz KGYFGLCFSPJWJR-AWEZNQCLSA-N 0 3 314.437 2.380 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000374246728 527277329 /nfs/dbraw/zinc/27/73/29/527277329.db2.gz AOAIOMPRGKPJJX-ZWKOTPCHSA-N 0 3 313.445 2.466 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000374246726 527278690 /nfs/dbraw/zinc/27/86/90/527278690.db2.gz AOAIOMPRGKPJJX-QZTJIDSGSA-N 0 3 313.445 2.466 20 30 DEEDHN CC(C)C(=O)NC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264164968 527485268 /nfs/dbraw/zinc/48/52/68/527485268.db2.gz UCLXFKPZZGNLBQ-UHFFFAOYSA-N 0 3 315.417 2.326 20 30 DEEDHN C=CCCc1ccccc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000337509414 527501337 /nfs/dbraw/zinc/50/13/37/527501337.db2.gz SWWDFENSCVNAHJ-UHFFFAOYSA-N 0 3 317.433 2.200 20 30 DEEDHN C=C[C@H](C)NC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000417646757 527564719 /nfs/dbraw/zinc/56/47/19/527564719.db2.gz DENVKFVBCNASEM-LBPRGKRZSA-N 0 3 307.394 2.332 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)OC)c1ccccc1F ZINC000448509661 527574804 /nfs/dbraw/zinc/57/48/04/527574804.db2.gz HELQSXZHNCHQEK-MRXNPFEDSA-N 0 3 308.397 2.480 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000427720254 527597656 /nfs/dbraw/zinc/59/76/56/527597656.db2.gz MZSUNBBXORVKAU-INIZCTEOSA-N 0 3 315.417 2.254 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294998253 527632314 /nfs/dbraw/zinc/63/23/14/527632314.db2.gz UYCJHFBPJMJGRH-RDJZCZTQSA-N 0 3 322.474 2.455 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CC[C@H](O)C1)C(C)C ZINC000190095976 527644795 /nfs/dbraw/zinc/64/47/95/527644795.db2.gz ZETCWYBAZXFSME-IKGGRYGDSA-N 0 3 323.481 2.145 20 30 DEEDHN CC(C)(C)CCN1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000332140681 527663533 /nfs/dbraw/zinc/66/35/33/527663533.db2.gz GSIIBZLSYAOQGQ-UHFFFAOYSA-N 0 3 306.454 2.444 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(CC#N)cc2)C1(C)C ZINC000444807244 527872972 /nfs/dbraw/zinc/87/29/72/527872972.db2.gz WEDRNAULYBJYKK-AEFFLSMTSA-N 0 3 302.418 2.408 20 30 DEEDHN CC(C)[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)N(C)C ZINC000374361942 528352184 /nfs/dbraw/zinc/35/21/84/528352184.db2.gz XZFHNBYWUBESPL-INIZCTEOSA-N 0 3 314.433 2.052 20 30 DEEDHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CC[C@H](SCC)C1 ZINC000331299974 528827400 /nfs/dbraw/zinc/82/74/00/528827400.db2.gz BOICPBMCOTXGMI-TUAOUCFPSA-N 0 3 301.456 2.031 20 30 DEEDHN CC(C)N1CCCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000422209372 529008038 /nfs/dbraw/zinc/00/80/38/529008038.db2.gz AXFJWRBDWMOQLY-UHFFFAOYSA-N 0 3 306.435 2.245 20 30 DEEDHN CN(C)Cc1cccc(CNC(=O)N(C)CC(C)(C)C#N)c1 ZINC000457768726 536030576 /nfs/dbraw/zinc/03/05/76/536030576.db2.gz DELYMMQBZCHBRW-UHFFFAOYSA-N 0 3 302.422 2.439 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451602633 536646665 /nfs/dbraw/zinc/64/66/65/536646665.db2.gz IZVXACHBFBUMON-WMZOPIPTSA-N 0 3 300.402 2.454 20 30 DEEDHN C=CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)N(C)C ZINC001327513220 1148574053 /nfs/dbraw/zinc/57/40/53/1148574053.db2.gz PMFZNSDZWBDDOM-MSOLQXFVSA-N 0 3 315.461 2.056 20 30 DEEDHN Cc1ccc(CN2C[C@@]3(CO)CCCC[C@@]3(CO)C2)cc1C#N ZINC001414061297 1152561345 /nfs/dbraw/zinc/56/13/45/1152561345.db2.gz WRAUZJCGIFPHRV-KDURUIRLSA-N 0 3 314.429 2.214 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C)nnc1CC ZINC001368721532 1148615685 /nfs/dbraw/zinc/61/56/85/1148615685.db2.gz OBOIBGOVXQFHPL-NSHDSACASA-N 0 3 310.829 2.198 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001327849102 1148658097 /nfs/dbraw/zinc/65/80/97/1148658097.db2.gz PZVAJGJLEPSANL-WMLDXEAASA-N 0 3 320.408 2.273 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC1(C)C ZINC001379492361 1152632816 /nfs/dbraw/zinc/63/28/16/1152632816.db2.gz PAZBYYBJPOJMJE-FZMZJTMJSA-N 0 3 303.381 2.338 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC3(OC)CCC3)C[C@]2(C)C1 ZINC001330525246 1149179456 /nfs/dbraw/zinc/17/94/56/1149179456.db2.gz MEYRJQQWATWGDS-HDICACEKSA-N 0 3 318.461 2.139 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC001379556526 1152642329 /nfs/dbraw/zinc/64/23/29/1152642329.db2.gz SEWOYBFGQXIJBT-KBPBESRZSA-N 0 3 317.433 2.453 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3occc3C(C)C)[C@@H]2C1 ZINC000978625248 634379878 /nfs/dbraw/zinc/37/98/78/634379878.db2.gz ANHGOFXJLIFPAE-PHZGNYQRSA-N 0 3 300.402 2.334 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001379643205 1152662365 /nfs/dbraw/zinc/66/23/65/1152662365.db2.gz BBXVMVGYNPAXEE-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)CCc1ccns1 ZINC001368815808 1148684987 /nfs/dbraw/zinc/68/49/87/1148684987.db2.gz WQDRUXPAYPIFBE-KBPBESRZSA-N 0 3 320.462 2.158 20 30 DEEDHN CC[C@@H](OC)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001379863164 1152706203 /nfs/dbraw/zinc/70/62/03/1152706203.db2.gz ORVMBNCMMQQLTJ-LSDHHAIUSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001381583335 1153138511 /nfs/dbraw/zinc/13/85/11/1153138511.db2.gz ORUFIEUTIZATIL-CYBMUJFWSA-N 0 3 303.878 2.153 20 30 DEEDHN CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)C#N)NCc1nccs1 ZINC001381724422 1153196641 /nfs/dbraw/zinc/19/66/41/1153196641.db2.gz ZNTNGOQVTCPKKH-QWHCGFSZSA-N 0 3 308.451 2.265 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001025223720 625285658 /nfs/dbraw/zinc/28/56/58/625285658.db2.gz FPIVZDGRIHQPHI-SJORKVTESA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1nn(C)cc1C ZINC001025229280 625289196 /nfs/dbraw/zinc/28/91/96/625289196.db2.gz IJYLOHVTFOUUDF-HZPDHXFCSA-N 0 3 316.449 2.374 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1n[nH]cc1C ZINC001025233516 625295225 /nfs/dbraw/zinc/29/52/25/625295225.db2.gz YSWHJQLPFDYPAW-HZPDHXFCSA-N 0 3 314.433 2.201 20 30 DEEDHN C=C1CCC(CNC(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000926548617 625306270 /nfs/dbraw/zinc/30/62/70/625306270.db2.gz ANZOMBNRVKVEKB-QGZVFWFLSA-N 0 3 321.465 2.285 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1=CCOCC1 ZINC001025265186 625312991 /nfs/dbraw/zinc/31/29/91/625312991.db2.gz DJOBVPUCCVFKAD-QZTJIDSGSA-N 0 3 316.445 2.202 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1ccco1 ZINC001025279472 625323155 /nfs/dbraw/zinc/32/31/55/625323155.db2.gz CBLMMQNROVATGN-SJORKVTESA-N 0 3 300.402 2.301 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(OC)cc2C)C1 ZINC001023569630 625330014 /nfs/dbraw/zinc/33/00/14/625330014.db2.gz OEOHBKQPAOYSPI-HNNXBMFYSA-N 0 3 300.402 2.079 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2occ3c2CCC3)C[C@H]1C ZINC000947570905 625340290 /nfs/dbraw/zinc/34/02/90/625340290.db2.gz ARWUWNFTYPFLNK-HIFRSBDPSA-N 0 3 300.402 2.374 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001023628169 625361789 /nfs/dbraw/zinc/36/17/89/625361789.db2.gz ZNACQXAYQHSHMY-MRXNPFEDSA-N 0 3 314.429 2.469 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)noc2C)C1 ZINC001025338319 625365849 /nfs/dbraw/zinc/36/58/49/625365849.db2.gz YBYVSGQUYGDKIT-DOMZBBRYSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001023677263 625384641 /nfs/dbraw/zinc/38/46/41/625384641.db2.gz GZICDHLXQLWNOS-UONOGXRCSA-N 0 3 317.433 2.427 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001023692197 625390160 /nfs/dbraw/zinc/39/01/60/625390160.db2.gz UTTVYJAFCFJMPD-GFCCVEGCSA-N 0 3 324.856 2.264 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001025431844 625429008 /nfs/dbraw/zinc/42/90/08/625429008.db2.gz QRLIDTBAIVIGDM-OLZOCXBDSA-N 0 3 324.375 2.050 20 30 DEEDHN Cc1conc1C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972682024 625437467 /nfs/dbraw/zinc/43/74/67/625437467.db2.gz BLMQZXWWMZJQCP-INIZCTEOSA-N 0 3 324.384 2.201 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001008382998 625462528 /nfs/dbraw/zinc/46/25/28/625462528.db2.gz FXWXWRGTSMYGPO-HNNXBMFYSA-N 0 3 300.402 2.221 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC001023896313 625470451 /nfs/dbraw/zinc/47/04/51/625470451.db2.gz 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623876806 /nfs/dbraw/zinc/87/68/06/623876806.db2.gz DYWZQKUGSBFQPQ-DLBZAZTESA-N 0 3 311.429 2.258 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000970984086 623879350 /nfs/dbraw/zinc/87/93/50/623879350.db2.gz CNDMHIVGJWOXFW-GFCCVEGCSA-N 0 3 313.376 2.380 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C(C)C)cn2)C1 ZINC001021640922 623883765 /nfs/dbraw/zinc/88/37/65/623883765.db2.gz YUAFNHSNHYVFMG-WBVHZDCISA-N 0 3 314.433 2.024 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(OC)cs2)C1 ZINC001021648369 623900423 /nfs/dbraw/zinc/90/04/23/623900423.db2.gz KAEQMDZRPQCFRR-HIFRSBDPSA-N 0 3 318.442 2.316 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3cn[nH]c32)C1 ZINC001021647861 623901463 /nfs/dbraw/zinc/90/14/63/623901463.db2.gz GYROIGOOQSSVRY-WBVHZDCISA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3c[nH]nc32)C1 ZINC001021647861 623901466 /nfs/dbraw/zinc/90/14/66/623901466.db2.gz GYROIGOOQSSVRY-WBVHZDCISA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2oc(CC)nc2C)C1 ZINC001021707068 623991344 /nfs/dbraw/zinc/99/13/44/623991344.db2.gz QZJMDVAYWNMZQU-CABCVRRESA-N 0 3 315.417 2.105 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2oc(CC)nc2C)C1 ZINC001021707070 623991464 /nfs/dbraw/zinc/99/14/64/623991464.db2.gz QZJMDVAYWNMZQU-HUUCEWRRSA-N 0 3 315.417 2.105 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(Cl)n2)C1 ZINC001021711398 623993857 /nfs/dbraw/zinc/99/38/57/623993857.db2.gz WEJXIKMHPQMZMB-AAEUAGOBSA-N 0 3 323.849 2.356 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(CC)on2)C1 ZINC001021720598 624004541 /nfs/dbraw/zinc/00/45/41/624004541.db2.gz YEXJQDCPCDGYMS-PBHICJAKSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccccc2C)C1 ZINC001021730097 624011349 /nfs/dbraw/zinc/01/13/49/624011349.db2.gz LIZONVUGUQTBTH-MOPGFXCFSA-N 0 3 310.441 2.484 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c3ncccc23)C1 ZINC001021734388 624016988 /nfs/dbraw/zinc/01/69/88/624016988.db2.gz XEWMAMULTPLWIC-WMLDXEAASA-N 0 3 322.412 2.123 20 30 DEEDHN Cc1cc(F)c(C#N)c(N2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000893362489 625695906 /nfs/dbraw/zinc/69/59/06/625695906.db2.gz ANXKNZWYUIJINJ-CYBMUJFWSA-N 0 3 305.397 2.287 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCc2c(F)cccc2F)C1 ZINC000971212273 624071240 /nfs/dbraw/zinc/07/12/40/624071240.db2.gz XZCPSONZCXCEOK-STQMWFEESA-N 0 3 321.371 2.200 20 30 DEEDHN CCOc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000121363315 624144923 /nfs/dbraw/zinc/14/49/23/624144923.db2.gz WVPGMDZSZNNZMC-OAHLLOKOSA-N 0 3 302.374 2.251 20 30 DEEDHN CC1CC(C(=O)N[C@H]2C[C@@H](NCc3ccc(C#N)cc3F)C2)C1 ZINC001021950744 624145740 /nfs/dbraw/zinc/14/57/40/624145740.db2.gz HUABZVBZZWUFJF-PGZFBYSNSA-N 0 3 315.392 2.480 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000971540254 624184707 /nfs/dbraw/zinc/18/47/07/624184707.db2.gz ROEMCIMEXGZZAP-CHWSQXEVSA-N 0 3 322.840 2.115 20 30 DEEDHN C#Cc1ccc(NC(=O)N[C@H]2CCN(CCOC)C2)c(Cl)c1 ZINC000933367785 624189068 /nfs/dbraw/zinc/18/90/68/624189068.db2.gz LHARFWOCCMPMMA-ZDUSSCGKSA-N 0 3 321.808 2.164 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC000971578354 624189688 /nfs/dbraw/zinc/18/96/88/624189688.db2.gz FNIPNAJRWBFWGL-KGLIPLIRSA-N 0 3 302.422 2.113 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)c3cc[nH]c3)C2)c1 ZINC001022115853 624203589 /nfs/dbraw/zinc/20/35/89/624203589.db2.gz OEQQDEPFULVYSW-GASCZTMLSA-N 0 3 312.348 2.076 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001022124311 624207630 /nfs/dbraw/zinc/20/76/30/624207630.db2.gz BGOPJOQHVZMUIX-BETUJISGSA-N 0 3 314.763 2.497 20 30 DEEDHN COC1CCC(CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000891580284 624483575 /nfs/dbraw/zinc/48/35/75/624483575.db2.gz DYTAADARHFIASK-UHFFFAOYSA-N 0 3 314.433 2.280 20 30 DEEDHN N#CC1CCC(COC(=O)C2CCCN(C3CC3)C2=O)CC1 ZINC000924052743 624520354 /nfs/dbraw/zinc/52/03/54/624520354.db2.gz IDIRRLZRERKZKR-PIMMBPRGSA-N 0 3 304.390 2.261 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC000947464173 624551294 /nfs/dbraw/zinc/55/12/94/624551294.db2.gz SCQHHGHECCNWJQ-ZFWWWQNUSA-N 0 3 304.438 2.407 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@](C)(OC)c2ccccc2)C1 ZINC001027652802 634392436 /nfs/dbraw/zinc/39/24/36/634392436.db2.gz UEWJOGFNUBOLAQ-HKUYNNGSSA-N 0 3 314.429 2.104 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccnc2N2CCCC2)C1 ZINC000971881710 624683953 /nfs/dbraw/zinc/68/39/53/624683953.db2.gz NSBNKKAVIWTJQC-OAHLLOKOSA-N 0 3 314.433 2.014 20 30 DEEDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000934032935 624692962 /nfs/dbraw/zinc/69/29/62/624692962.db2.gz UQSFCJAMKBWNMY-CQSZACIVSA-N 0 3 317.389 2.064 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000971895965 624697326 /nfs/dbraw/zinc/69/73/26/624697326.db2.gz LLABSBVRWMUXBA-GDBMZVCRSA-N 0 3 320.820 2.362 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)C2(C)CC2)C1 ZINC000998806769 634404393 /nfs/dbraw/zinc/40/43/93/634404393.db2.gz WNERAYWEZMEDMA-UHFFFAOYSA-N 0 3 301.228 2.274 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC000971964951 624737781 /nfs/dbraw/zinc/73/77/81/624737781.db2.gz UNBPNWRCGSCQAV-HIFRSBDPSA-N 0 3 300.402 2.342 20 30 DEEDHN N#Cc1cc(COC(=O)C2CCCN(C3CC3)C2=O)ccc1F ZINC000924057409 624738378 /nfs/dbraw/zinc/73/83/78/624738378.db2.gz CYGPDDSQMILBQR-CQSZACIVSA-N 0 3 316.332 2.142 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(COC)c(F)c2)C1 ZINC001027660766 634405471 /nfs/dbraw/zinc/40/54/71/634405471.db2.gz VIGXIDQWIZDKCU-MRXNPFEDSA-N 0 3 318.392 2.142 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)cc3F)[C@@H]2C1 ZINC000978750326 634410179 /nfs/dbraw/zinc/41/01/79/634410179.db2.gz HUVIZVVCPAVZRL-PHZGNYQRSA-N 0 3 300.377 2.065 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3c(C)noc3C)C2)C1 ZINC001022675573 624816040 /nfs/dbraw/zinc/81/60/40/624816040.db2.gz ZEVNLPYUVCFOPG-OKILXGFUSA-N 0 3 303.406 2.385 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC001022707764 624859144 /nfs/dbraw/zinc/85/91/44/624859144.db2.gz SRPKMSJMRPARTQ-KPJWVJDJSA-N 0 3 312.841 2.181 20 30 DEEDHN COC(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000934412922 624875688 /nfs/dbraw/zinc/87/56/88/624875688.db2.gz NERTZKHSJYWNDK-HZPDHXFCSA-N 0 3 314.385 2.217 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2nn(C)cc2Cl)C1 ZINC000998816533 634412716 /nfs/dbraw/zinc/41/27/16/634412716.db2.gz CUUWZTOQDYYIOW-UHFFFAOYSA-N 0 3 317.220 2.019 20 30 DEEDHN CCC(CC)CN1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380008 624945365 /nfs/dbraw/zinc/94/53/65/624945365.db2.gz DJDXSSHOIPOYSL-IBGZPJMESA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4ccccc4C3)[C@@H]2C1 ZINC000978786530 634421732 /nfs/dbraw/zinc/42/17/32/634421732.db2.gz JNLQHPOZSWGIBR-LWYYNNOASA-N 0 3 322.452 2.109 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC000998842799 634422774 /nfs/dbraw/zinc/42/27/74/634422774.db2.gz CQYZLQWHUISJOP-UHFFFAOYSA-N 0 3 322.840 2.243 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000978802772 634424269 /nfs/dbraw/zinc/42/42/69/634424269.db2.gz YJBKPSGZJVYXPH-QKDCVEJESA-N 0 3 312.344 2.113 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000177602006 625026148 /nfs/dbraw/zinc/02/61/48/625026148.db2.gz FHYLEDBINQSCBO-SMDDNHRTSA-N 0 3 318.348 2.268 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001024750257 625032384 /nfs/dbraw/zinc/03/23/84/625032384.db2.gz OQABTDPAXCUVKH-LSDHHAIUSA-N 0 3 316.449 2.061 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001020138087 625044764 /nfs/dbraw/zinc/04/47/64/625044764.db2.gz UTFCLRHRZGLLDF-HAQNSBGRSA-N 0 3 310.829 2.146 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001022879403 625062622 /nfs/dbraw/zinc/06/26/22/625062622.db2.gz ZUAFGSUJCCHAKZ-PHIMTYICSA-N 0 3 304.781 2.166 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3cnccc3s2)C[C@@H]1C ZINC000947527163 625107436 /nfs/dbraw/zinc/10/74/36/625107436.db2.gz GECQQVFULXPANL-RYUDHWBXSA-N 0 3 316.430 2.460 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC000972500626 625141052 /nfs/dbraw/zinc/14/10/52/625141052.db2.gz LFIRXVKNQPZEKI-JKSUJKDBSA-N 0 3 314.429 2.444 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncccc2OC(C)C)C1 ZINC001023037722 625141685 /nfs/dbraw/zinc/14/16/85/625141685.db2.gz OKBIRWHMDCISCJ-BETUJISGSA-N 0 3 323.824 2.472 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001025040479 625155911 /nfs/dbraw/zinc/15/59/11/625155911.db2.gz DWCPUHPHTKCXOY-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN CC(C)=CCN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973007528 625163575 /nfs/dbraw/zinc/16/35/75/625163575.db2.gz YWOMLVGTKAQDLI-OAHLLOKOSA-N 0 3 300.406 2.293 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(C)c3Cl)[C@@H]2C1 ZINC000978870282 634439513 /nfs/dbraw/zinc/43/95/13/634439513.db2.gz RWARRSFWWMFENI-QKDCVEJESA-N 0 3 302.805 2.189 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000725806354 625176486 /nfs/dbraw/zinc/17/64/86/625176486.db2.gz WZTMHKSCQRJVPI-AWEZNQCLSA-N 0 3 302.393 2.218 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001025069296 625192491 /nfs/dbraw/zinc/19/24/91/625192491.db2.gz HGPJETXTHGIWJT-SJLPKXTDSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001007337496 625220664 /nfs/dbraw/zinc/22/06/64/625220664.db2.gz MNKAEIXZMCPRLU-OAHLLOKOSA-N 0 3 302.422 2.378 20 30 DEEDHN CC[C@@H](F)CN1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318322 625225993 /nfs/dbraw/zinc/22/59/93/625225993.db2.gz GBAYYLAFTHTXJK-QWHCGFSZSA-N 0 3 306.385 2.076 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001023360732 625237895 /nfs/dbraw/zinc/23/78/95/625237895.db2.gz ONTIWBTXNLANGZ-HNNXBMFYSA-N 0 3 316.449 2.009 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3scnc32)C1 ZINC001023367894 625240736 /nfs/dbraw/zinc/24/07/36/625240736.db2.gz AYRVYDMHJMNZIP-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nc(OC)c2)C[C@H]1C ZINC000947663209 625247090 /nfs/dbraw/zinc/24/70/90/625247090.db2.gz RQFWJKABMRLGMG-HIFRSBDPSA-N 0 3 303.406 2.167 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnc3ccccc3n2)C1 ZINC001023416124 625259577 /nfs/dbraw/zinc/25/95/77/625259577.db2.gz SWXOTFVWZSHZOT-HNNXBMFYSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc(C)n1 ZINC001025197744 625259989 /nfs/dbraw/zinc/25/99/89/625259989.db2.gz KOPFYIAHDMDEGP-ROUUACIJSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001023414121 625260225 /nfs/dbraw/zinc/26/02/25/625260225.db2.gz NHWQKFKMGCJVFJ-HNNXBMFYSA-N 0 3 316.449 2.319 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC001025201046 625263195 /nfs/dbraw/zinc/26/31/95/625263195.db2.gz JIDKQGYMOHHVLY-MSOLQXFVSA-N 0 3 311.429 2.482 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cncc3ccccc32)C1 ZINC001027692472 634446698 /nfs/dbraw/zinc/44/66/98/634446698.db2.gz KGFHYICHRZWZQA-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH]c(C)n1 ZINC001025212721 625269143 /nfs/dbraw/zinc/26/91/43/625269143.db2.gz YNVRTRGIGIARRA-DLBZAZTESA-N 0 3 314.433 2.201 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cncc(F)c1 ZINC001025217939 625275936 /nfs/dbraw/zinc/27/59/36/625275936.db2.gz HCIXQCKOIHAVCH-IRXDYDNUSA-N 0 3 315.392 2.313 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001026747198 625721031 /nfs/dbraw/zinc/72/10/31/625721031.db2.gz FCKPJXOBTARFDH-WAVCKPEOSA-N 0 3 309.413 2.463 20 30 DEEDHN CC(C)=CCN1CCCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001024399274 625750259 /nfs/dbraw/zinc/75/02/59/625750259.db2.gz GHQZSIHWEJAUAN-INIZCTEOSA-N 0 3 300.406 2.437 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001024483104 625808407 /nfs/dbraw/zinc/80/84/07/625808407.db2.gz NNXKHKXOJIELAV-GFCCVEGCSA-N 0 3 322.840 2.233 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479815 625808715 /nfs/dbraw/zinc/80/87/15/625808715.db2.gz QFISHKVRTBDIMG-HZPDHXFCSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001024501387 625823853 /nfs/dbraw/zinc/82/38/53/625823853.db2.gz FLNQTEGSYZJGHS-OAHLLOKOSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001024515563 625831738 /nfs/dbraw/zinc/83/17/38/625831738.db2.gz VOUYMDVHYQZPAA-CVEARBPZSA-N 0 3 316.449 2.307 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001024515795 625832099 /nfs/dbraw/zinc/83/20/99/625832099.db2.gz BUIURLDPZNVRLJ-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnc3ccccn32)C1 ZINC000999018630 634462648 /nfs/dbraw/zinc/46/26/48/634462648.db2.gz OKJCILBAFIRNEQ-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC001024550651 625870706 /nfs/dbraw/zinc/87/07/06/625870706.db2.gz MPFGABGUYHHBEC-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001024569782 625893979 /nfs/dbraw/zinc/89/39/79/625893979.db2.gz GDQLKRZUTWCWCD-ARFHVFGLSA-N 0 3 316.449 2.070 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000892498011 625903345 /nfs/dbraw/zinc/90/33/45/625903345.db2.gz CIJJXAGLKJRJQH-JQWIXIFHSA-N 0 3 318.398 2.117 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2C[C@@H](C)OC)cc1 ZINC001024587456 625909228 /nfs/dbraw/zinc/90/92/28/625909228.db2.gz IUJIKJQYFDGYNY-CRAIPNDOSA-N 0 3 314.429 2.287 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001024653835 625953726 /nfs/dbraw/zinc/95/37/26/625953726.db2.gz IWOLWRFGXHKBKD-AWEZNQCLSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001024672085 625960117 /nfs/dbraw/zinc/96/01/17/625960117.db2.gz RBPWBWZNANRWPM-QGZVFWFLSA-N 0 3 312.413 2.229 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)nc4ccccc43)[C@@H]2C1 ZINC000979026952 634480295 /nfs/dbraw/zinc/48/02/95/634480295.db2.gz LCTWZRMOSXPYEU-NNZMDNLPSA-N 0 3 319.408 2.084 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccn(C(C)C)n2)C1 ZINC000999149706 634495443 /nfs/dbraw/zinc/49/54/43/634495443.db2.gz NURINMKPQJZEOD-UHFFFAOYSA-N 0 3 324.856 2.338 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCC[C@@H](NCc2cccnc2)C1 ZINC000999357515 634565250 /nfs/dbraw/zinc/56/52/50/634565250.db2.gz GAKFLQFXGVLMLQ-QGZVFWFLSA-N 0 3 324.428 2.464 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ocnc2C2CC2)C1 ZINC000999400790 634579269 /nfs/dbraw/zinc/57/92/69/634579269.db2.gz MTYUYDVAOIYREH-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2COc3ccccc32)C1 ZINC000999919817 634706391 /nfs/dbraw/zinc/70/63/91/634706391.db2.gz GAEFYIWADJOYRP-SSDMNJCBSA-N 0 3 320.820 2.494 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccnn3C)C[C@H]2C1 ZINC000979592381 634706827 /nfs/dbraw/zinc/70/68/27/634706827.db2.gz BDYSFYOMTBZUQN-MELADBBJSA-N 0 3 322.840 2.003 20 30 DEEDHN C#CCC[NH+]1CCC(C2(NC(=O)c3ccccc3[O-])CC2)CC1 ZINC001000083352 634735474 /nfs/dbraw/zinc/73/54/74/634735474.db2.gz KVJBGJMOGAZSME-UHFFFAOYSA-N 0 3 312.413 2.390 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3c(C)noc3C)CC2)CC1 ZINC001000075282 634746421 /nfs/dbraw/zinc/74/64/21/634746421.db2.gz LWCFKHTYMCXECP-UHFFFAOYSA-N 0 3 315.417 2.289 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc4[nH]ccc4n3)CC2)CC1 ZINC001000211567 634793616 /nfs/dbraw/zinc/79/36/16/634793616.db2.gz QWPNOSWOBLRKQW-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)Cc1ccccc1C ZINC000836246306 650070343 /nfs/dbraw/zinc/07/03/43/650070343.db2.gz DKDCMPFOHNNWRU-MRXNPFEDSA-N 0 3 301.434 2.180 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000836327459 650079828 /nfs/dbraw/zinc/07/98/28/650079828.db2.gz DNOYJWWQCKRNKB-MRXNPFEDSA-N 0 3 317.433 2.017 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(CC)cc1 ZINC000836310142 650078096 /nfs/dbraw/zinc/07/80/96/650078096.db2.gz OMBXKALEEYFURM-UHFFFAOYSA-N 0 3 301.434 2.046 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001024685915 632923029 /nfs/dbraw/zinc/92/30/29/632923029.db2.gz QPXAMKOWTZNGCM-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001024702666 632933069 /nfs/dbraw/zinc/93/30/69/632933069.db2.gz ZEDHMLNXWKQQEU-GOSISDBHSA-N 0 3 312.413 2.324 20 30 DEEDHN C=CCONC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000836527538 650102243 /nfs/dbraw/zinc/10/22/43/650102243.db2.gz FKXKGEVXVHITGU-UHFFFAOYSA-N 0 3 304.394 2.068 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001024739169 632958184 /nfs/dbraw/zinc/95/81/84/632958184.db2.gz XXOALFDKJBXZPH-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](C)C1 ZINC000945941735 633043761 /nfs/dbraw/zinc/04/37/61/633043761.db2.gz GAIVBIQFKWWPOP-FUHWJXTLSA-N 0 3 310.441 2.486 20 30 DEEDHN Cc1ncccc1CN[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995790712 633123033 /nfs/dbraw/zinc/12/30/33/633123033.db2.gz DCSBHYIBDRLFCZ-KRWDZBQOSA-N 0 3 311.429 2.130 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C(C)(C)C1 ZINC000974760704 633284699 /nfs/dbraw/zinc/28/46/99/633284699.db2.gz ZZEKIDNTASPVPA-HNNXBMFYSA-N 0 3 316.449 2.102 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)C(C)(C)C1 ZINC000974755603 633288884 /nfs/dbraw/zinc/28/88/84/633288884.db2.gz BPDZWXVBICHMKA-OAHLLOKOSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnc(OC)c2)C(C)(C)C1 ZINC000974762352 633296455 /nfs/dbraw/zinc/29/64/55/633296455.db2.gz XURISWJPIHWARW-AWEZNQCLSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]nc2CCC)C(C)(C)C1 ZINC000974791933 633301408 /nfs/dbraw/zinc/30/14/08/633301408.db2.gz HPUAZODOVKYKLV-OAHLLOKOSA-N 0 3 304.438 2.379 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn3ccc(C)cc3n2)C(C)(C)C1 ZINC000974795588 633303472 /nfs/dbraw/zinc/30/34/72/633303472.db2.gz HKKIEIOMVGWHGX-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(C3CC3)CCOCC2)C(C)(C)C1 ZINC000974897007 633362991 /nfs/dbraw/zinc/36/29/91/633362991.db2.gz PMDDLZURDFYYOI-INIZCTEOSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3cnc(C)cn3)C2)C1 ZINC001027049068 633376776 /nfs/dbraw/zinc/37/67/76/633376776.db2.gz ZAHXJKZKPQWBTD-HNNXBMFYSA-N 0 3 314.433 2.079 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(F)c2F)C(C)(C)C1 ZINC000974962309 633383292 /nfs/dbraw/zinc/38/32/92/633383292.db2.gz KIXQHGLHWHGLPO-AWEZNQCLSA-N 0 3 306.356 2.428 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001008796518 633408677 /nfs/dbraw/zinc/40/86/77/633408677.db2.gz XGDMIOVEOTZWBY-PMPSAXMXSA-N 0 3 312.429 2.298 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(OC(C)C)c1 ZINC000124764059 633414745 /nfs/dbraw/zinc/41/47/45/633414745.db2.gz XEVFVDDFMCDBRO-HNNXBMFYSA-N 0 3 302.374 2.250 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC(NCc3ocnc3C)CC2)cc1 ZINC000996866033 633477765 /nfs/dbraw/zinc/47/77/65/633477765.db2.gz AYNHNUNFWSIYPL-UHFFFAOYSA-N 0 3 323.396 2.359 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3snnc3C)CC2)C1 ZINC000996973757 633550330 /nfs/dbraw/zinc/55/03/30/633550330.db2.gz KQUDMWRFUTZNGG-UHFFFAOYSA-N 0 3 320.462 2.283 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnn3ccc(C)cc23)CC1 ZINC000997145379 633626042 /nfs/dbraw/zinc/62/60/42/633626042.db2.gz DCNIUILYHYMIBZ-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN C[C@H]1[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CCN1C ZINC000925342134 633626871 /nfs/dbraw/zinc/62/68/71/633626871.db2.gz LEKJYLJEUUJVEN-SWLSCSKDSA-N 0 3 300.406 2.185 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027321450 633649285 /nfs/dbraw/zinc/64/92/85/633649285.db2.gz RUYAJUATFUVVQS-RHSMWYFYSA-N 0 3 315.417 2.016 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027335341 633660187 /nfs/dbraw/zinc/66/01/87/633660187.db2.gz GBRGPAIQMDNEHN-WMLDXEAASA-N 0 3 310.401 2.141 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000997172536 633661368 /nfs/dbraw/zinc/66/13/68/633661368.db2.gz XYTAJXLIVXUIHV-OAHLLOKOSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2sccc2COC)CC1 ZINC000997389764 633752434 /nfs/dbraw/zinc/75/24/34/633752434.db2.gz IZGCLYQSQCAERZ-CYBMUJFWSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000946178766 633785498 /nfs/dbraw/zinc/78/54/98/633785498.db2.gz MQACEABHFOEXEM-LRDDRELGSA-N 0 3 313.376 2.380 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001027462249 633830015 /nfs/dbraw/zinc/83/00/15/633830015.db2.gz CRFHSQGJWDKSMO-OWCLPIDISA-N 0 3 302.443 2.408 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001027466663 633835910 /nfs/dbraw/zinc/83/59/10/633835910.db2.gz XGMFTKOMUPMANH-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(C#N)ccc2F)C[C@H]1N(C)C ZINC000888363418 633839017 /nfs/dbraw/zinc/83/90/17/633839017.db2.gz LWGLMEAAGNFBQF-KGLIPLIRSA-N 0 3 322.409 2.207 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001027468999 633840094 /nfs/dbraw/zinc/84/00/94/633840094.db2.gz RIERZANBPMBCKA-XJKSGUPXSA-N 0 3 317.433 2.341 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(COC)c2)C1 ZINC001027483987 633868682 /nfs/dbraw/zinc/86/86/82/633868682.db2.gz UQZZCWZFXKLRSR-QGZVFWFLSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(OCC#C)cc2)C(C)(C)C1 ZINC000977273810 633904308 /nfs/dbraw/zinc/90/43/08/633904308.db2.gz PTFKMJNXXSRYQN-SFHVURJKSA-N 0 3 324.424 2.162 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)c2c(C)noc2C)C(C)(C)C1 ZINC000977334487 633923950 /nfs/dbraw/zinc/92/39/50/633923950.db2.gz LIPYITCETJFGEC-IUODEOHRSA-N 0 3 317.433 2.245 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(C3CC3)on2)CC1 ZINC000997696077 633937542 /nfs/dbraw/zinc/93/75/42/633937542.db2.gz AKCDVKSXAOPNGZ-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000997705341 633942154 /nfs/dbraw/zinc/94/21/54/633942154.db2.gz BPDYVMUQLCBTMV-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ocnc2C2CC2)CC1 ZINC000997749667 633962830 /nfs/dbraw/zinc/96/28/30/633962830.db2.gz WZFSQIYPOFEHOS-LBPRGKRZSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(C)nn2CC)CC1 ZINC000997773819 633970143 /nfs/dbraw/zinc/97/01/43/633970143.db2.gz YOPFFUTWZDZVNT-HNNXBMFYSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(F)ccc(F)c2OC)C1 ZINC001027520558 633976168 /nfs/dbraw/zinc/97/61/68/633976168.db2.gz OYPCGNQAAXFNBH-LBPRGKRZSA-N 0 3 322.355 2.143 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2sc(CC)nc2C)CC1 ZINC000997791484 633978866 /nfs/dbraw/zinc/97/88/66/633978866.db2.gz NDGDAVVKUCATBC-LBPRGKRZSA-N 0 3 319.474 2.477 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnn(CC)c2C)CC1 ZINC000997810770 633995022 /nfs/dbraw/zinc/99/50/22/633995022.db2.gz HUEKYUGQOCFSLK-AWEZNQCLSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncccc2Cl)C(C)(C)C1 ZINC000977494370 634010264 /nfs/dbraw/zinc/01/02/64/634010264.db2.gz MINDDOYTRCGSIT-CYBMUJFWSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)onc2CC)CC1 ZINC000997859662 634013012 /nfs/dbraw/zinc/01/30/12/634013012.db2.gz XCRZSXBUWMWTBT-LBPRGKRZSA-N 0 3 303.406 2.009 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2c[nH]c3ncccc23)CC1 ZINC000997872236 634016612 /nfs/dbraw/zinc/01/66/12/634016612.db2.gz XGPJKCLMULDLNN-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc(CC)s2)CC1 ZINC000997878175 634017502 /nfs/dbraw/zinc/01/75/02/634017502.db2.gz CRXWMZKVFATKFO-LBPRGKRZSA-N 0 3 305.447 2.169 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC[C@H](C)F)CC2(C)C)cn1 ZINC000977528251 634027873 /nfs/dbraw/zinc/02/78/73/634027873.db2.gz UCXXMECNNCWXOV-XJKSGUPXSA-N 0 3 317.408 2.251 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2c(C)noc2C)C(C)(C)C1 ZINC000977583532 634058392 /nfs/dbraw/zinc/05/83/92/634058392.db2.gz VGNPPPNVCFBLGQ-OAHLLOKOSA-N 0 3 305.422 2.237 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ncc3n2CCCC3)C(C)(C)C1 ZINC000977607527 634062868 /nfs/dbraw/zinc/06/28/68/634062868.db2.gz VKVSWTKRURYCOQ-OAHLLOKOSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cncc3sccc32)C1 ZINC001027542635 634064372 /nfs/dbraw/zinc/06/43/72/634064372.db2.gz OHGKVANDNJLCAN-CYBMUJFWSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnc(C)s2)CC1 ZINC000997949798 634074331 /nfs/dbraw/zinc/07/43/31/634074331.db2.gz OYVUJWOQKBTLNE-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001027548332 634079614 /nfs/dbraw/zinc/07/96/14/634079614.db2.gz KAYXZRBHEPIRKA-AWEZNQCLSA-N 0 3 306.356 2.063 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2csc(COC)n2)C(C)(C)C1 ZINC000977645601 634080309 /nfs/dbraw/zinc/08/03/09/634080309.db2.gz KDELBSREAKTEEY-CYBMUJFWSA-N 0 3 323.462 2.306 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C(C)(C)C1 ZINC000977680645 634089780 /nfs/dbraw/zinc/08/97/80/634089780.db2.gz MWGLWOCZPKCZAC-INIZCTEOSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001027550533 634089939 /nfs/dbraw/zinc/08/99/39/634089939.db2.gz YLLGNLSBPDMNJL-KRWDZBQOSA-N 0 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ZINC000898386126 641643339 /nfs/dbraw/zinc/64/33/39/641643339.db2.gz UTGNRMNVXDWHPH-IEBWSBKVSA-N 0 3 307.397 2.372 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CCC(=O)CC2)c1 ZINC000773975918 641847869 /nfs/dbraw/zinc/84/78/69/641847869.db2.gz NUTWLASZEOKVAN-HNNXBMFYSA-N 0 3 314.341 2.102 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CCC[C@H]12 ZINC000990765073 641973177 /nfs/dbraw/zinc/97/31/77/641973177.db2.gz SJGANKPWAGXKMC-HLNWXESRSA-N 0 3 323.440 2.322 20 30 DEEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1ccccc1OC ZINC000775077826 642004720 /nfs/dbraw/zinc/00/47/20/642004720.db2.gz NGGKOXJONIZFSR-OAHLLOKOSA-N 0 3 303.406 2.498 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000842342612 650714291 /nfs/dbraw/zinc/71/42/91/650714291.db2.gz DOQOUEFOSDFRHP-JSGCOSHPSA-N 0 3 324.327 2.105 20 30 DEEDHN C#C[C@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCCO1 ZINC000775571477 642060476 /nfs/dbraw/zinc/06/04/76/642060476.db2.gz HOPIWNSNFYDZCV-SNRMKQJTSA-N 0 3 314.429 2.355 20 30 DEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(F)c1)[C@H]1CCCO1 ZINC000775572518 642061413 /nfs/dbraw/zinc/06/14/13/642061413.db2.gz BIDUEQVTOKOHRC-UHOFOFEASA-N 0 3 304.365 2.313 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)N(C)c1ccccc1)[C@@H]1CCCO1 ZINC000775573754 642061664 /nfs/dbraw/zinc/06/16/64/642061664.db2.gz JNINKBIXKBEBCH-XIRDDKMYSA-N 0 3 300.402 2.198 20 30 DEEDHN CCOC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000899646595 642133249 /nfs/dbraw/zinc/13/32/49/642133249.db2.gz JTUZCWDHJQVXOQ-TVQRCGJNSA-N 0 3 310.300 2.235 20 30 DEEDHN C[C@H](NCc1ccc(-n2cncn2)nc1)c1ccc(C#N)cc1 ZINC000776154863 642136788 /nfs/dbraw/zinc/13/67/88/642136788.db2.gz WJRADGXRBXYJKW-ZDUSSCGKSA-N 0 3 304.357 2.385 20 30 DEEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000776493904 642177969 /nfs/dbraw/zinc/17/79/69/642177969.db2.gz NIFCDJRTSFECCL-IAGOWNOFSA-N 0 3 300.402 2.024 20 30 DEEDHN Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCCN32)n(CCC#N)n1 ZINC000900327667 642331572 /nfs/dbraw/zinc/33/15/72/642331572.db2.gz WHUJAQIXULUECD-KGLIPLIRSA-N 0 3 301.394 2.061 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000782060919 642818427 /nfs/dbraw/zinc/81/84/27/642818427.db2.gz HNXBGYPMYJJEME-IRXDYDNUSA-N 0 3 300.333 2.054 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000782065066 642819741 /nfs/dbraw/zinc/81/97/41/642819741.db2.gz YXCMJWZRTZRVKU-IRXDYDNUSA-N 0 3 300.333 2.054 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CCCCS1 ZINC000783349883 642996523 /nfs/dbraw/zinc/99/65/23/642996523.db2.gz KQEFEMIRKAVVIL-UONOGXRCSA-N 0 3 302.399 2.297 20 30 DEEDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000784203267 643107740 /nfs/dbraw/zinc/10/77/40/643107740.db2.gz DUVONWQZSPMIKP-GOSISDBHSA-N 0 3 324.428 2.432 20 30 DEEDHN C[C@H](NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(C#N)ccn1 ZINC000903093681 643253821 /nfs/dbraw/zinc/25/38/21/643253821.db2.gz KSWYKUKNXFXYHV-RPCCPQHDSA-N 0 3 301.390 2.330 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4c([nH]3)CCOC4)CCC[C@H]12 ZINC000991019924 643273344 /nfs/dbraw/zinc/27/33/44/643273344.db2.gz OJGMVUNXEMSQLL-WMZOPIPTSA-N 0 3 315.417 2.000 20 30 DEEDHN CC[C@@H](NCCS(=O)(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000903291953 643308135 /nfs/dbraw/zinc/30/81/35/643308135.db2.gz OJKGHVDCLMXOAY-MRXNPFEDSA-N 0 3 321.446 2.025 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@H]2CCCO2)c1 ZINC000786549741 643383538 /nfs/dbraw/zinc/38/35/38/643383538.db2.gz KYPQTSJCBHIRHN-CVEARBPZSA-N 0 3 314.385 2.279 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(N(C)C)cc1 ZINC000786785273 643408588 /nfs/dbraw/zinc/40/85/88/643408588.db2.gz LUSMVSVQJPTVQC-KGLIPLIRSA-N 0 3 314.433 2.354 20 30 DEEDHN C[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C1=CCN(C)CC1 ZINC000867306173 650837857 /nfs/dbraw/zinc/83/78/57/650837857.db2.gz GGYFVYBCYYTRDU-GFCCVEGCSA-N 0 3 308.385 2.420 20 30 DEEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000787056788 643445117 /nfs/dbraw/zinc/44/51/17/643445117.db2.gz RKBXOJIFNUIBPO-AWEZNQCLSA-N 0 3 315.329 2.276 20 30 DEEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)C1 ZINC000805855776 643552355 /nfs/dbraw/zinc/55/23/55/643552355.db2.gz NJQXCBDONBZDDP-WDIPEOLASA-N 0 3 316.357 2.158 20 30 DEEDHN COC(=O)CCN1CCC(N=Nc2cc(Cl)ccn2)CC1 ZINC000788724678 643639251 /nfs/dbraw/zinc/63/92/51/643639251.db2.gz CYNOUXWLWRSPKM-UHFFFAOYSA-N 0 3 310.785 2.162 20 30 DEEDHN C=C(C)CNC(=S)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000789397069 643726983 /nfs/dbraw/zinc/72/69/83/643726983.db2.gz YWGPZABKYCRDFA-OAHLLOKOSA-N 0 3 307.463 2.338 20 30 DEEDHN COCOc1ccc(C#N)cc1-c1cnc([C@@H]2CCCN2)nc1 ZINC000904886213 643744927 /nfs/dbraw/zinc/74/49/27/643744927.db2.gz ZZRXPWTVMXCMRD-HNNXBMFYSA-N 0 3 310.357 2.422 20 30 DEEDHN CC1/C(=C/c2cc(F)c(N(C)C)cc2F)C(=O)c2ncnn21 ZINC000905086109 643779798 /nfs/dbraw/zinc/77/97/98/643779798.db2.gz RDWRVDLZDYQVLB-YXSUAUNDSA-N 0 3 304.300 2.463 20 30 DEEDHN CCOC(=O)c1[nH]c(C)c(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905086675 643780470 /nfs/dbraw/zinc/78/04/70/643780470.db2.gz SGOIWWPJHCUHPJ-HAAVITCDSA-N 0 3 314.345 2.241 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@H]2[N@H+](C)CCCC2(C)C)c1[O-] ZINC000790599360 643871093 /nfs/dbraw/zinc/87/10/93/643871093.db2.gz WTWLPWOGHKLJJL-FNMPFJKNSA-N 0 3 305.422 2.127 20 30 DEEDHN Cc1ncc(CO)c(/C=N\C[C@H]2[N@@H+](C)CCCC2(C)C)c1[O-] ZINC000790599360 643871095 /nfs/dbraw/zinc/87/10/95/643871095.db2.gz WTWLPWOGHKLJJL-FNMPFJKNSA-N 0 3 305.422 2.127 20 30 DEEDHN Cc1ccc(CNC[C@H](O)CC2(C#N)CCOCC2)c(Cl)n1 ZINC000905431788 643910637 /nfs/dbraw/zinc/91/06/37/643910637.db2.gz LKBFUGCJVWKVLN-CQSZACIVSA-N 0 3 323.824 2.204 20 30 DEEDHN CSc1ccc(CNC[C@H](O)C2(O)CCCC2)cc1C#N ZINC000905465395 643923265 /nfs/dbraw/zinc/92/32/65/643923265.db2.gz OONCGQWUKSUKFX-HNNXBMFYSA-N 0 3 306.431 2.036 20 30 DEEDHN CC[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cc(F)ccc1OC ZINC000905556590 643948486 /nfs/dbraw/zinc/94/84/86/643948486.db2.gz JBGUBEJBZPUXFI-GDBMZVCRSA-N 0 3 323.412 2.081 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2cccnc21 ZINC000905603455 643960561 /nfs/dbraw/zinc/96/05/61/643960561.db2.gz WXCWQXDBXHCQKV-IRXDYDNUSA-N 0 3 323.396 2.360 20 30 DEEDHN C=CC[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)OC ZINC000905756602 644034813 /nfs/dbraw/zinc/03/48/13/644034813.db2.gz RHPBQEPOPFSKTQ-QGZVFWFLSA-N 0 3 320.408 2.497 20 30 DEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H]2COC[C@H]2C)cc1 ZINC000905868807 644065793 /nfs/dbraw/zinc/06/57/93/644065793.db2.gz VVYIBOANXCSIAP-VYDXJSESSA-N 0 3 315.417 2.255 20 30 DEEDHN C[C@@H](NN=C1c2ccccc2N(CCN(C)C)C1=O)C(C)(C)C ZINC000793110790 644192667 /nfs/dbraw/zinc/19/26/67/644192667.db2.gz CCEOKDAOEKOFEB-CYBMUJFWSA-N 0 3 316.449 2.323 20 30 DEEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(-c2ccn(C)n2)nn1 ZINC000906315252 644207716 /nfs/dbraw/zinc/20/77/16/644207716.db2.gz XIDDVBJCHKUPLT-DZGCQCFKSA-N 0 3 300.410 2.225 20 30 DEEDHN C#C[C@H](NCCC(=O)N1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000794567868 644437634 /nfs/dbraw/zinc/43/76/34/644437634.db2.gz QEGQKLQYKHNILJ-WMZOPIPTSA-N 0 3 312.413 2.126 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000795329815 644553763 /nfs/dbraw/zinc/55/37/63/644553763.db2.gz RJNGBZFGQMBILP-WBVHZDCISA-N 0 3 309.413 2.162 20 30 DEEDHN N#Cc1ccc(C[C@H](C#N)C(=O)OCCN2CCCCC2)cc1 ZINC000795822537 644642362 /nfs/dbraw/zinc/64/23/62/644642362.db2.gz DWJPFQCBDYFVMW-QGZVFWFLSA-N 0 3 311.385 2.270 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cncc(COC)c3)CCC[C@H]12 ZINC000991101067 644767592 /nfs/dbraw/zinc/76/75/92/644767592.db2.gz RZTZMBAGZMDWFM-FUHWJXTLSA-N 0 3 315.417 2.141 20 30 DEEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000796635094 644768286 /nfs/dbraw/zinc/76/82/86/644768286.db2.gz OQNOKTLUMSEKJN-JTQLQIEISA-N 0 3 324.283 2.150 20 30 DEEDHN N#CC(C(=O)CCn1cnccc1=O)c1ccc2ccccc2n1 ZINC000796714413 644781164 /nfs/dbraw/zinc/78/11/64/644781164.db2.gz NPXSTNJUHCFRIA-AWEZNQCLSA-N 0 3 318.336 2.058 20 30 DEEDHN N#CC(C(=O)CCC(F)F)C(=O)NCc1ccc(F)cc1F ZINC000796884434 644808055 /nfs/dbraw/zinc/80/80/55/644808055.db2.gz JWPPPMDAIYDUBB-JTQLQIEISA-N 0 3 316.254 2.335 20 30 DEEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000843416685 650970469 /nfs/dbraw/zinc/97/04/69/650970469.db2.gz WOAJVEIFALWBJU-HOCLYGCPSA-N 0 3 323.400 2.454 20 30 DEEDHN C#CCCCc1nnc(N2CCN(C)[C@@H](C(C)C)C2)n1CC ZINC000908880084 645024039 /nfs/dbraw/zinc/02/40/39/645024039.db2.gz JNHGEFXFZBQVPA-OAHLLOKOSA-N 0 3 303.454 2.030 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000798531131 645031795 /nfs/dbraw/zinc/03/17/95/645031795.db2.gz MCPHFSVNOZUJTK-RDJZCZTQSA-N 0 3 301.434 2.464 20 30 DEEDHN COCC#CCN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359907 645165288 /nfs/dbraw/zinc/16/52/88/645165288.db2.gz CSUAARWYVAJKSA-OAHLLOKOSA-N 0 3 310.438 2.263 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1 ZINC000800384977 645265398 /nfs/dbraw/zinc/26/53/98/645265398.db2.gz OFQCKGJEJQYLQI-KLZCAUPSSA-N 0 3 300.358 2.456 20 30 DEEDHN CCN1CCCN(C(=O)c2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000910264330 645375776 /nfs/dbraw/zinc/37/57/76/645375776.db2.gz DMGNLMMTRXCHQN-CYBMUJFWSA-N 0 3 301.390 2.123 20 30 DEEDHN CC(=O)N1CCCCC[C@H]1C1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801919942 645462040 /nfs/dbraw/zinc/46/20/40/645462040.db2.gz KNHAXGSXKIJHFN-YJBOKZPZSA-N 0 3 321.465 2.418 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000911199807 645650799 /nfs/dbraw/zinc/65/07/99/645650799.db2.gz GTEMBGVITORJFK-OFAQMXQXSA-N 0 3 300.402 2.287 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCCN(C(C)=O)CC1 ZINC000911637991 645759633 /nfs/dbraw/zinc/75/96/33/645759633.db2.gz ZMDZZZNOAJRSPX-MRXNPFEDSA-N 0 3 311.470 2.145 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000911993295 645902448 /nfs/dbraw/zinc/90/24/48/645902448.db2.gz RLYWDGOMWIEZPB-ZDUSSCGKSA-N 0 3 305.378 2.276 20 30 DEEDHN C#C[C@H](NC(=O)N(CCC)CCN1CCCCC1)[C@H]1CCCO1 ZINC000807138481 645914893 /nfs/dbraw/zinc/91/48/93/645914893.db2.gz CSMKQJOYDVGGHT-DLBZAZTESA-N 0 3 321.465 2.075 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)nc1 ZINC000807738589 645981862 /nfs/dbraw/zinc/98/18/62/645981862.db2.gz GCHHUSWRNOBPSX-CRAIPNDOSA-N 0 3 319.408 2.456 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000807786985 645989905 /nfs/dbraw/zinc/98/99/05/645989905.db2.gz NPONKTOGYSXALP-QGZVFWFLSA-N 0 3 311.360 2.235 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000912314522 646023737 /nfs/dbraw/zinc/02/37/37/646023737.db2.gz GQDNIRQAXSFEEU-CYBMUJFWSA-N 0 3 305.378 2.276 20 30 DEEDHN C=CCCCCCN(C)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000150889426 646147952 /nfs/dbraw/zinc/14/79/52/646147952.db2.gz CSYZYIJJRHWNEI-UHFFFAOYSA-N 0 3 324.465 2.467 20 30 DEEDHN C#CCN(CCOCC(=O)OCC)[C@H]1CCc2ccccc21 ZINC000809934957 646301768 /nfs/dbraw/zinc/30/17/68/646301768.db2.gz MOOPDQQHRIIWNE-KRWDZBQOSA-N 0 3 301.386 2.189 20 30 DEEDHN C#CCOc1ccc(CNCc2ccc(CC(N)=O)cc2)cc1 ZINC000810158546 646333057 /nfs/dbraw/zinc/33/30/57/646333057.db2.gz PKTDNKVEYZTXLA-UHFFFAOYSA-N 0 3 308.381 2.016 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810530723 646371817 /nfs/dbraw/zinc/37/18/17/646371817.db2.gz FSFUQYIKOGHGGE-NSHDSACASA-N 0 3 304.321 2.482 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C[C@@H]1C ZINC000947315368 646539820 /nfs/dbraw/zinc/53/98/20/646539820.db2.gz RYLCISOZKLBCTC-HOTGVXAUSA-N 0 3 311.429 2.106 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C(C)C)n2)C[C@@H]1C ZINC000947771047 646592548 /nfs/dbraw/zinc/59/25/48/646592548.db2.gz DWHLGRUKAXJOBB-GJZGRUSLSA-N 0 3 302.422 2.070 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc(Cl)cn3C)CCC[C@@H]12 ZINC000991711843 646593939 /nfs/dbraw/zinc/59/39/39/646593939.db2.gz PPZYOXZYAQCGIZ-NVXWUHKLSA-N 0 3 319.836 2.429 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3ccc(COC)o3)CCC[C@@H]12 ZINC000991710818 646594094 /nfs/dbraw/zinc/59/40/94/646594094.db2.gz NAZCVGYKGASFDY-SJLPKXTDSA-N 0 3 316.401 2.176 20 30 DEEDHN C#C[C@@H](NC(=O)NCCN1CCCCC1)c1ccc(F)cc1 ZINC000812318905 646631833 /nfs/dbraw/zinc/63/18/33/646631833.db2.gz LJXVBCSDTXRTJV-MRXNPFEDSA-N 0 3 303.381 2.285 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)CCC[C@@H]12 ZINC000991823415 646643119 /nfs/dbraw/zinc/64/31/19/646643119.db2.gz ZRJSOKXQFRJBPT-DODZYUBVSA-N 0 3 318.461 2.348 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cccc4nccn43)CCC[C@H]12 ZINC000991844095 646657084 /nfs/dbraw/zinc/65/70/84/646657084.db2.gz UXRNOGBZTBFUSY-MAUKXSAKSA-N 0 3 310.401 2.247 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCCOC1 ZINC000171036414 646682664 /nfs/dbraw/zinc/68/26/64/646682664.db2.gz FZNHHWYSQGNFAZ-STQMWFEESA-N 0 3 316.357 2.159 20 30 DEEDHN N#CC(C(=O)CSC[C@@H]1CCCCO1)C(=O)NC1CCCC1 ZINC000171366976 646698573 /nfs/dbraw/zinc/69/85/73/646698573.db2.gz LBVYKDBVPFNLSM-KBPBESRZSA-N 0 3 324.446 2.056 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN([C@@H](C)COC)C2)cc1 ZINC001014983028 646825855 /nfs/dbraw/zinc/82/58/55/646825855.db2.gz ZZWXOILWLWGXPW-HOCLYGCPSA-N 0 3 318.417 2.090 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4n[nH]cc4c3)CCC[C@H]12 ZINC000992146933 646872988 /nfs/dbraw/zinc/87/29/88/646872988.db2.gz MNSHEVVIPFHHSW-WMZOPIPTSA-N 0 3 310.401 2.476 20 30 DEEDHN C[C@H]1CN(C(=O)CN[C@H](CCCC#N)c2ccccc2)CCO1 ZINC000814658931 646917884 /nfs/dbraw/zinc/91/78/84/646917884.db2.gz IKQMDGRNKAKETE-DOTOQJQBSA-N 0 3 315.417 2.258 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C4CC4)n[nH]3)CCC[C@H]12 ZINC000992281887 646926288 /nfs/dbraw/zinc/92/62/88/646926288.db2.gz DDJSEWFCKMNEAM-RDJZCZTQSA-N 0 3 300.406 2.200 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc4cccnn43)CCC[C@H]12 ZINC000992293619 646933391 /nfs/dbraw/zinc/93/33/91/646933391.db2.gz PPPHPSLXWVGXKG-PKOBYXMFSA-N 0 3 322.412 2.084 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nc(C)ncc3Cl)CCC[C@H]12 ZINC000992296676 646934784 /nfs/dbraw/zinc/93/47/84/646934784.db2.gz IQTNUEOMYTVKDT-XJKSGUPXSA-N 0 3 320.824 2.351 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnn(CC4CC4)c3)CCC[C@H]12 ZINC000992422653 646989748 /nfs/dbraw/zinc/98/97/48/646989748.db2.gz DUKSKVUUKKBLKF-FUHWJXTLSA-N 0 3 314.433 2.206 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccc(F)cc3)CCC[C@H]12 ZINC000992466192 647039496 /nfs/dbraw/zinc/03/94/96/647039496.db2.gz 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C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccn(C(C)C)n2)C1 ZINC001033279250 689448657 /nfs/dbraw/zinc/44/86/57/689448657.db2.gz FQKLCTOAABEGFU-MRXNPFEDSA-N 0 3 304.438 2.115 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001033295058 689452333 /nfs/dbraw/zinc/45/23/33/689452333.db2.gz HLYPAVMGASZNNZ-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C3CC3)CCOCC2)C1 ZINC001033298299 689453225 /nfs/dbraw/zinc/45/32/25/689453225.db2.gz DUGSNZLSVJVTAY-INIZCTEOSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cc(F)ccc2F)C1 ZINC001033371454 689480677 /nfs/dbraw/zinc/48/06/77/689480677.db2.gz YUAJFHDAYHOAIM-HNNXBMFYSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ncccc2OCCC)C1 ZINC001033392206 689485739 /nfs/dbraw/zinc/48/57/39/689485739.db2.gz AHZMOXZUEHWMOT-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001033483782 689518376 /nfs/dbraw/zinc/51/83/76/689518376.db2.gz LRPCSBVSBGAKDK-OAHLLOKOSA-N 0 3 303.406 2.072 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)nn(CCC)c2C)C1 ZINC001033569431 689546258 /nfs/dbraw/zinc/54/62/58/689546258.db2.gz UUOYFJFLOJATJG-MRXNPFEDSA-N 0 3 316.449 2.080 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(OC)c2OC)C1 ZINC001033612752 689559710 /nfs/dbraw/zinc/55/97/10/689559710.db2.gz GLXOPKLNOGZCCT-CQSZACIVSA-N 0 3 318.417 2.426 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001033624863 689563488 /nfs/dbraw/zinc/56/34/88/689563488.db2.gz PXSAARGZSRHISG-WMZOPIPTSA-N 0 3 312.413 2.204 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001033626468 689565019 /nfs/dbraw/zinc/56/50/19/689565019.db2.gz RHPKYTWAZLHTDG-MRXNPFEDSA-N 0 3 312.417 2.214 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2csc3nccn23)C1 ZINC001033662267 689576739 /nfs/dbraw/zinc/57/67/39/689576739.db2.gz UXZFNTWFSOCBNP-ZDUSSCGKSA-N 0 3 318.446 2.047 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001033672946 689580602 /nfs/dbraw/zinc/58/06/02/689580602.db2.gz UERAYXBCRPLKLC-ZBFHGGJFSA-N 0 3 318.392 2.238 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2nccc3cccnc32)C1 ZINC001033862030 689642511 /nfs/dbraw/zinc/64/25/11/689642511.db2.gz UGSRAHWFOBASFG-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccnc(OC)c2)C1 ZINC001033877168 689647000 /nfs/dbraw/zinc/64/70/00/689647000.db2.gz CXVLCNMQLXSULR-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033900160 689655278 /nfs/dbraw/zinc/65/52/78/689655278.db2.gz JOVYCUAPIAGNBB-MRXNPFEDSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnc3cnccc3c2)C1 ZINC001033902209 689655898 /nfs/dbraw/zinc/65/58/98/689655898.db2.gz CWOIMVAHWGEQPV-KRWDZBQOSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033903604 689657418 /nfs/dbraw/zinc/65/74/18/689657418.db2.gz ADZIUOLXIQWRPB-VVLHAWIVSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC001033915908 689660749 /nfs/dbraw/zinc/66/07/49/689660749.db2.gz JDRYSVMUDNVYTO-AWEZNQCLSA-N 0 3 303.406 2.358 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001034001787 689688312 /nfs/dbraw/zinc/68/83/12/689688312.db2.gz NHJUMMFJKGTECJ-HNNXBMFYSA-N 0 3 315.417 2.420 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001034009122 689692099 /nfs/dbraw/zinc/69/20/99/689692099.db2.gz GTAWFIRSZDMORL-CQSZACIVSA-N 0 3 302.422 2.400 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001034026183 689697123 /nfs/dbraw/zinc/69/71/23/689697123.db2.gz QBGSTQHPSXUQEH-DLBZAZTESA-N 0 3 313.445 2.295 20 30 DEEDHN CC(=O)N[C@H]1CCCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001034057213 689708743 /nfs/dbraw/zinc/70/87/43/689708743.db2.gz SLGJLPUOBHSFRW-INIZCTEOSA-N 0 3 301.390 2.080 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ncnc3ccsc32)C1 ZINC001034238071 689776684 /nfs/dbraw/zinc/77/66/84/689776684.db2.gz ZQLDVSZQGFJNKF-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001034249645 689781213 /nfs/dbraw/zinc/78/12/13/689781213.db2.gz MGGKVGPTDJGDBR-HZPDHXFCSA-N 0 3 316.449 2.307 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001034286133 689796258 /nfs/dbraw/zinc/79/62/58/689796258.db2.gz IWAOVNMPTSEYIH-AWEZNQCLSA-N 0 3 316.449 2.315 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001034295298 689798699 /nfs/dbraw/zinc/79/86/99/689798699.db2.gz DQTFOXGOSMUYOL-SJORKVTESA-N 0 3 314.429 2.394 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001034317085 689807680 /nfs/dbraw/zinc/80/76/80/689807680.db2.gz YSBNMPRRXULRLG-OAHLLOKOSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001034329151 689811096 /nfs/dbraw/zinc/81/10/96/689811096.db2.gz DVIIUHMYBISLRY-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001034362339 689823022 /nfs/dbraw/zinc/82/30/22/689823022.db2.gz AFLHHUMOMKLJDD-OAHLLOKOSA-N 0 3 312.417 2.262 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCOc1ccc(OC)cc1 ZINC000876560305 689856686 /nfs/dbraw/zinc/85/66/86/689856686.db2.gz JYQUYUWTEAXMJT-CQSZACIVSA-N 0 3 312.797 2.002 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000876581565 689865173 /nfs/dbraw/zinc/86/51/73/689865173.db2.gz MUKHWGCWLRTVPJ-IINYFYTJSA-N 0 3 309.797 2.292 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000876586678 689866879 /nfs/dbraw/zinc/86/68/79/689866879.db2.gz HKXBTCWDSOOFQB-LBPRGKRZSA-N 0 3 309.797 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000876593124 689868955 /nfs/dbraw/zinc/86/89/55/689868955.db2.gz LSKUDXKPDCOOFT-RISCZKNCSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000876593122 689869123 /nfs/dbraw/zinc/86/91/23/689869123.db2.gz LSKUDXKPDCOOFT-BXUZGUMPSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001034485667 689869405 /nfs/dbraw/zinc/86/94/05/689869405.db2.gz SNFDQIWKAJMASV-OAHLLOKOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000876596545 689870425 /nfs/dbraw/zinc/87/04/25/689870425.db2.gz ALLWNWOQXBZEON-HNNXBMFYSA-N 0 3 318.808 2.018 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC001034502636 689875822 /nfs/dbraw/zinc/87/58/22/689875822.db2.gz VWUWULSCDFXGLQ-AWEZNQCLSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001034510135 689879510 /nfs/dbraw/zinc/87/95/10/689879510.db2.gz BYRSHGORELKWLB-MRXNPFEDSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC001034516126 689881221 /nfs/dbraw/zinc/88/12/21/689881221.db2.gz REFCRQDZUOELBO-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000876636416 689883556 /nfs/dbraw/zinc/88/35/56/689883556.db2.gz XKBBKZFYLUJYOJ-HNNXBMFYSA-N 0 3 318.808 2.001 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000876636910 689884298 /nfs/dbraw/zinc/88/42/98/689884298.db2.gz NABYNFXDPCUTLH-ZFWWWQNUSA-N 0 3 308.809 2.481 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001034527941 689886663 /nfs/dbraw/zinc/88/66/63/689886663.db2.gz NLBMMLLHRXPSBU-HNNXBMFYSA-N 0 3 316.449 2.151 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(CC)n(C)n2)C1 ZINC001034552147 689896219 /nfs/dbraw/zinc/89/62/19/689896219.db2.gz YZDFROYCRMZSPT-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000876672058 689896329 /nfs/dbraw/zinc/89/63/29/689896329.db2.gz KNLBZCROLCVISD-YNEHKIRRSA-N 0 3 300.830 2.310 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC000876682916 689901057 /nfs/dbraw/zinc/90/10/57/689901057.db2.gz NTLLMZHHAFTQGO-FZMZJTMJSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000876683927 689901686 /nfs/dbraw/zinc/90/16/86/689901686.db2.gz ZLIQBAGXSQJEDG-ZWNOBZJWSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000876873861 689961025 /nfs/dbraw/zinc/96/10/25/689961025.db2.gz SNIOHCSZGNSXMA-ZWNOBZJWSA-N 0 3 324.808 2.105 20 30 DEEDHN CC(C)[C@H](CNCc1cc(C#N)cnc1Cl)N1CCOCC1 ZINC000876908599 689970350 /nfs/dbraw/zinc/97/03/50/689970350.db2.gz OPYFXIXPDAXJLE-HNNXBMFYSA-N 0 3 322.840 2.053 20 30 DEEDHN CN(C)C(=O)[C@@H]1CCC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877044592 690006290 /nfs/dbraw/zinc/00/62/90/690006290.db2.gz CWHQBBOGFLUOQB-OCCSQVGLSA-N 0 3 320.824 2.343 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000877076398 690013901 /nfs/dbraw/zinc/01/39/01/690013901.db2.gz WTSWDJOBBGRAQM-CYBMUJFWSA-N 0 3 323.437 2.294 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1scnc1CC)CC2 ZINC001035720438 690161089 /nfs/dbraw/zinc/16/10/89/690161089.db2.gz KNVUXDLCHZWQRC-UHFFFAOYSA-N 0 3 317.458 2.267 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnn(C)c1Cl)CC2 ZINC001035733145 690163442 /nfs/dbraw/zinc/16/34/42/690163442.db2.gz WCKYCFDEZBPTHA-UHFFFAOYSA-N 0 3 322.840 2.188 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC001035736451 690164559 /nfs/dbraw/zinc/16/45/59/690164559.db2.gz UWKFHMLGDSXCNS-BBWFWOEESA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H]1CC(C)(C)CO1)CC2 ZINC001035749437 690168011 /nfs/dbraw/zinc/16/80/11/690168011.db2.gz STJFOBYQRLQSOC-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC1CC(OCC)C1)CC2 ZINC001035773980 690173377 /nfs/dbraw/zinc/17/33/77/690173377.db2.gz IMDNLRDUWIYOAZ-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](OC)C1)CC2 ZINC001035779802 690174379 /nfs/dbraw/zinc/17/43/79/690174379.db2.gz SMSGLSONFCQWAR-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCO[C@H](CC)C1)CC2 ZINC001035832491 690187808 /nfs/dbraw/zinc/18/78/08/690187808.db2.gz KCBSLFBVTAQJSE-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H](C)[C@@H]1CCCO1)CC2 ZINC001035844047 690191121 /nfs/dbraw/zinc/19/11/21/690191121.db2.gz MARXPFBMTFHPFX-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN Cn1nnnc1C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000877780205 690225247 /nfs/dbraw/zinc/22/52/47/690225247.db2.gz WHDBNMAPPROEOE-UHFFFAOYSA-N 0 3 322.416 2.145 20 30 DEEDHN C=CCOc1ccc(CN2CCC3(CCNC3=O)CC2)cc1 ZINC000877783261 690227089 /nfs/dbraw/zinc/22/70/89/690227089.db2.gz LZXCKGDMSNOPLA-UHFFFAOYSA-N 0 3 300.402 2.354 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nc(C2CCC2)cs1 ZINC000931280879 694355585 /nfs/dbraw/zinc/35/55/85/694355585.db2.gz MFLJJKDSKVSNDF-UHFFFAOYSA-N 0 3 306.435 2.487 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cnns2)[C@H](C)C1 ZINC001036141583 690274065 /nfs/dbraw/zinc/27/40/65/690274065.db2.gz HCYZADGGMCAQLH-DGCLKSJQSA-N 0 3 308.451 2.077 20 30 DEEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2CN(C(C)=O)CC[C@@H]21 ZINC001036604746 690394740 /nfs/dbraw/zinc/39/47/40/690394740.db2.gz JONYRXFOOCMLHW-WBVHZDCISA-N 0 3 313.401 2.010 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H]1[C@@H](C)O)c1ccccc1 ZINC000878951604 690536288 /nfs/dbraw/zinc/53/62/88/690536288.db2.gz MALVVGNQZMJWLT-ZTFGCOKTSA-N 0 3 300.402 2.272 20 30 DEEDHN Cc1cccc(C(=O)NC2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000879350911 690625809 /nfs/dbraw/zinc/62/58/09/690625809.db2.gz VFRMNRUIZGKKTP-HNNXBMFYSA-N 0 3 315.417 2.118 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](c2ccccc2OC)CC1 ZINC000879728830 690715358 /nfs/dbraw/zinc/71/53/58/690715358.db2.gz XYDJSRNENFGVKK-HOTGVXAUSA-N 0 3 314.429 2.403 20 30 DEEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)c1ccco1 ZINC000879926499 690755749 /nfs/dbraw/zinc/75/57/49/690755749.db2.gz UGZQOXQDCBYJFP-ZQIUZPCESA-N 0 3 319.405 2.145 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038329287 690783311 /nfs/dbraw/zinc/78/33/11/690783311.db2.gz BSDBGVVXORPNDR-NSHDSACASA-N 0 3 310.829 2.396 20 30 DEEDHN 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C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cn1 ZINC001039461147 691111276 /nfs/dbraw/zinc/11/12/76/691111276.db2.gz ZSHKYRBXVFUVFQ-CABCVRRESA-N 0 3 317.820 2.437 20 30 DEEDHN C=C(C)C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)OCC ZINC000881751410 691156930 /nfs/dbraw/zinc/15/69/30/691156930.db2.gz GEGZUXHWWVFISK-INIZCTEOSA-N 0 3 318.417 2.376 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3CCCCO3)C2)C1 ZINC001040152176 691205052 /nfs/dbraw/zinc/20/50/52/691205052.db2.gz HXZYWBMLEACWSR-HKUYNNGSSA-N 0 3 318.461 2.283 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3nn(C)cc3Cl)C2)C1 ZINC001040221696 691216091 /nfs/dbraw/zinc/21/60/91/691216091.db2.gz VICPDRDCFNZADK-INIZCTEOSA-N 0 3 322.840 2.188 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ccc4cc[nH]c4n3)C2)C1 ZINC001040249982 691220167 /nfs/dbraw/zinc/22/01/67/691220167.db2.gz HGOLWZHXZRMAPQ-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3Cc4ccccc4C3)C2)C1 ZINC001040414399 691244373 /nfs/dbraw/zinc/24/43/73/691244373.db2.gz 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CC#CCN1CC[C@]2(CCN(C(=O)c3ocnc3C3CC3)C2)C1 ZINC001041671821 691407541 /nfs/dbraw/zinc/40/75/41/691407541.db2.gz OCJGLBRHQABFMH-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3nccc4[nH]ccc43)C2)C1 ZINC001041693256 691410595 /nfs/dbraw/zinc/41/05/95/691410595.db2.gz RGHYXZQOXZKGOV-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cnc(C4CC4)s3)C2)C1 ZINC001041795932 691433153 /nfs/dbraw/zinc/43/31/53/691433153.db2.gz AHUJRTOMTANSKE-KRWDZBQOSA-N 0 3 315.442 2.192 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041941802 691470786 /nfs/dbraw/zinc/47/07/86/691470786.db2.gz KKHUXLOVMUSMJX-QWHCGFSZSA-N 0 3 306.793 2.493 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(c4ccccn4)CC3)C[C@H]21 ZINC001042063330 691495041 /nfs/dbraw/zinc/49/50/41/691495041.db2.gz UXMZZPFBSIUMSU-HZPDHXFCSA-N 0 3 311.429 2.222 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3n[nH]c(CC)c3Cl)C[C@@H]21 ZINC001042095001 691506603 /nfs/dbraw/zinc/50/66/03/691506603.db2.gz 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ZINC001042178863 691529905 /nfs/dbraw/zinc/52/99/05/691529905.db2.gz HBQUUUGIMLBAQG-KBXCAEBGSA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042220025 691538950 /nfs/dbraw/zinc/53/89/50/691538950.db2.gz AEDJDAWNHMUNSQ-TZMCWYRMSA-N 0 3 306.793 2.493 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3conc3CC)C[C@H]21 ZINC001042224840 691539904 /nfs/dbraw/zinc/53/99/04/691539904.db2.gz RXLZYBJWRHVHNB-XJKSGUPXSA-N 0 3 303.406 2.350 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3noc4c3CCCC4)C[C@@H]21 ZINC001042246512 691546989 /nfs/dbraw/zinc/54/69/89/691546989.db2.gz YDQRFXZSUJLTCM-ZFWWWQNUSA-N 0 3 315.417 2.276 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cnoc3CC)C[C@@H]21 ZINC001042253770 691549310 /nfs/dbraw/zinc/54/93/10/691549310.db2.gz VXIIBFVPYRDTAA-HIFRSBDPSA-N 0 3 303.406 2.350 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cnn(CCC)c3)C[C@@H]21 ZINC001042253113 691549755 /nfs/dbraw/zinc/54/97/55/691549755.db2.gz PNFOOQMCCAIHRM-ZBFHGGJFSA-N 0 3 302.422 2.016 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c4ccccc4nn3C)C[C@H]21 ZINC001042301225 691562493 /nfs/dbraw/zinc/56/24/93/691562493.db2.gz DQBYMAIWBQEPAF-RHSMWYFYSA-N 0 3 324.428 2.296 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cn(C)nc3Cl)C[C@H]21 ZINC001042308829 691564563 /nfs/dbraw/zinc/56/45/63/691564563.db2.gz FYPSOZJASBHKMO-GXTWGEPZSA-N 0 3 322.840 2.186 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)Cn3cc4ccccc4n3)C[C@@H]21 ZINC001042316596 691567529 /nfs/dbraw/zinc/56/75/29/691567529.db2.gz PBAPIHMWTAARND-QAPCUYQASA-N 0 3 324.428 2.145 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(OC)cc3)C[C@@H]21 ZINC001042328369 691571893 /nfs/dbraw/zinc/57/18/93/691571893.db2.gz UMJYJWBOTNRMDD-YOEHRIQHSA-N 0 3 300.402 2.418 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)Cc3csc(C)n3)C[C@@H]21 ZINC001042340232 691576217 /nfs/dbraw/zinc/57/62/17/691576217.db2.gz CRTZDFRNFKPXAG-HIFRSBDPSA-N 0 3 305.447 2.103 20 30 DEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3scnc3Cl)C[C@@H]21 ZINC001042360224 691581382 /nfs/dbraw/zinc/58/13/82/691581382.db2.gz 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C=C(C)CN1CC[C@@](C)(NC(=O)c2cnnc3ccccc32)C1 ZINC001046653186 692248458 /nfs/dbraw/zinc/24/84/58/692248458.db2.gz REZKLNAPZINSEH-GOSISDBHSA-N 0 3 310.401 2.400 20 30 DEEDHN C#CCC1(NCc2cc(C(=O)OC)ccc2F)CCOCC1 ZINC000887121894 692282099 /nfs/dbraw/zinc/28/20/99/692282099.db2.gz ASEGQQGDSCMYPR-UHFFFAOYSA-N 0 3 305.349 2.274 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001046885893 692325631 /nfs/dbraw/zinc/32/56/31/692325631.db2.gz XVQPETPUXCMTEO-QFBILLFUSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2ccccn2)C1 ZINC001046911143 692329042 /nfs/dbraw/zinc/32/90/42/692329042.db2.gz XBMLGTBQIIROHE-ZDUSSCGKSA-N 0 3 309.360 2.345 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](C)SC)C2)CC1 ZINC001047225296 692397404 /nfs/dbraw/zinc/39/74/04/692397404.db2.gz QIQWXTRGECCTMR-HOCLYGCPSA-N 0 3 308.491 2.322 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)c3ocnc3C)C2)CC1 ZINC001047233221 692399271 /nfs/dbraw/zinc/39/92/71/692399271.db2.gz UUKKGTSGXYONJI-INIZCTEOSA-N 0 3 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C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)c3cccc(F)c3)C[C@@H]2C1 ZINC001049049491 692752394 /nfs/dbraw/zinc/75/23/94/692752394.db2.gz BIIXIHZTGTWEKM-OIISXLGYSA-N 0 3 314.404 2.343 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4cc(F)ccc4o3)C[C@@H]2C1 ZINC001049091310 692760652 /nfs/dbraw/zinc/76/06/52/692760652.db2.gz YKPJLUVOVBYYPJ-OKILXGFUSA-N 0 3 312.344 2.209 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)c3ccco3)C[C@@H]2C1 ZINC001049175421 692780695 /nfs/dbraw/zinc/78/06/95/692780695.db2.gz WSIFCCKGSFBNMW-OAGGEKHMSA-N 0 3 300.402 2.187 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001049197588 692787168 /nfs/dbraw/zinc/78/71/68/692787168.db2.gz JKOZKWOJQMMEHO-IYBDPMFKSA-N 0 3 316.832 2.296 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3sc(C(C)C)nc3C)C[C@@H]2C1 ZINC001049212478 692791739 /nfs/dbraw/zinc/79/17/39/692791739.db2.gz SASPBPFCCYSQKH-OKILXGFUSA-N 0 3 317.458 2.212 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(c4ccc(C)cc4)CCC3)C[C@@H]2C1 ZINC001049242298 692798114 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C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccns2)C1 ZINC001053087859 693686138 /nfs/dbraw/zinc/68/61/38/693686138.db2.gz OTRZMOUVRBORBQ-LSDHHAIUSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2nccs2)C1 ZINC001053105009 693690006 /nfs/dbraw/zinc/69/00/06/693690006.db2.gz RCTJEXMAQRJKLD-LSDHHAIUSA-N 0 3 317.458 2.483 20 30 DEEDHN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CCC(N)=O ZINC000932479117 694622955 /nfs/dbraw/zinc/62/29/55/694622955.db2.gz REHTVXKEICWYQY-UHFFFAOYSA-N 0 3 314.307 2.134 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NC/C=C/Cl)C[C@H]2C)cn1 ZINC001332047084 1149812599 /nfs/dbraw/zinc/81/25/99/1149812599.db2.gz IJGFTLRSAZYJCI-NJKKUKIKSA-N 0 3 303.793 2.008 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(COCC)CC2)CC1 ZINC001332949293 1149932024 /nfs/dbraw/zinc/93/20/24/1149932024.db2.gz AHDLAZIZRILBJO-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN N#CC(C(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)Nc1ccccn1 ZINC001342918883 1150626725 /nfs/dbraw/zinc/62/67/25/1150626725.db2.gz 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1152357809 /nfs/dbraw/zinc/35/78/09/1152357809.db2.gz OXILWNONLPAWDR-HNNXBMFYSA-N 0 3 304.390 2.414 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001380165981 1152760547 /nfs/dbraw/zinc/76/05/47/1152760547.db2.gz BOACKAPILNDZFT-WLYUNCDWSA-N 0 3 324.856 2.474 20 30 DEEDHN N#Cc1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)co1 ZINC001361875390 1152764799 /nfs/dbraw/zinc/76/47/99/1152764799.db2.gz DAQHJSYMTIXYLW-QAPCUYQASA-N 0 3 321.380 2.498 20 30 DEEDHN C[C@@H](CCNC(=O)Cc1ccco1)NCc1ccccc1C#N ZINC001381222054 1152958631 /nfs/dbraw/zinc/95/86/31/1152958631.db2.gz YSNRFOUKEYHIAF-AWEZNQCLSA-N 0 3 311.385 2.378 20 30 DEEDHN CCO[C@@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC001402890750 1162519770 /nfs/dbraw/zinc/51/97/70/1162519770.db2.gz VFOHBSDPOGIRHC-IAQYHMDHSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001381466237 1153075250 /nfs/dbraw/zinc/07/52/50/1153075250.db2.gz AUFYDOMESYMXGI-UHFFFAOYSA-N 0 3 312.845 2.412 20 30 DEEDHN C[C@@H](NCC1(NC(=O)[C@@H](C)C#N)CCCCC1)c1cnccn1 ZINC001381714763 1153193427 /nfs/dbraw/zinc/19/34/27/1153193427.db2.gz JXZMYYIXVRJLII-UONOGXRCSA-N 0 3 315.421 2.106 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001381964165 1153291766 /nfs/dbraw/zinc/29/17/66/1153291766.db2.gz WOTBBIYWTKLXNB-JOCQHMNTSA-N 0 3 323.824 2.249 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001402931985 1162549657 /nfs/dbraw/zinc/54/96/57/1162549657.db2.gz KXBCOIYWZAJYAR-CQSZACIVSA-N 0 3 301.862 2.002 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H]1C ZINC001382333141 1153427386 /nfs/dbraw/zinc/42/73/86/1153427386.db2.gz IQVOTGRXGYUTQZ-UONOGXRCSA-N 0 3 313.873 2.192 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1ccncc1 ZINC001402950068 1162565764 /nfs/dbraw/zinc/56/57/64/1162565764.db2.gz ITTHKJHQEPVIST-VXGBXAGGSA-N 0 3 314.414 2.311 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC(NCC2(C#N)CCOCC2)CC1 ZINC001414120141 1153982728 /nfs/dbraw/zinc/98/27/28/1153982728.db2.gz 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1155776373 /nfs/dbraw/zinc/77/63/73/1155776373.db2.gz KTEVZUZKYZLYRG-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001403109711 1162728665 /nfs/dbraw/zinc/72/86/65/1162728665.db2.gz CVQMZVBYTHWKDC-UONOGXRCSA-N 0 3 301.862 2.048 20 30 DEEDHN C[C@H](CNC(=O)[C@@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001371361379 1155833301 /nfs/dbraw/zinc/83/33/01/1155833301.db2.gz XQUBYSNKNUWRJU-RISCZKNCSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2cnccc2n1 ZINC001371850289 1156041423 /nfs/dbraw/zinc/04/14/23/1156041423.db2.gz KJQCURCUGRYBHQ-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN COCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001403139018 1162780202 /nfs/dbraw/zinc/78/02/02/1162780202.db2.gz JGYYHALGKNOQID-AWEZNQCLSA-N 0 3 317.433 2.167 20 30 DEEDHN CO[C@H](C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1)C(C)C ZINC001403160100 1162800548 /nfs/dbraw/zinc/80/05/48/1162800548.db2.gz ANOLNKCOJUKWBZ-YOEHRIQHSA-N 0 3 317.433 2.166 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2c(C)ncn2C)CCCC1 ZINC001391771538 1156796246 /nfs/dbraw/zinc/79/62/46/1156796246.db2.gz ZEMGUHDJSMVXDX-UHFFFAOYSA-N 0 3 310.829 2.113 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1snnc1C)C1CC1 ZINC001391779306 1156800775 /nfs/dbraw/zinc/80/07/75/1156800775.db2.gz FERMZQZONRTFIU-CYBMUJFWSA-N 0 3 314.842 2.087 20 30 DEEDHN C=C(Cl)CN1CCC(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001391848379 1156815843 /nfs/dbraw/zinc/81/58/43/1156815843.db2.gz ZCCQNQGTURLKCO-OAHLLOKOSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCc2nccn2C)CCCC1 ZINC001392010178 1156848855 /nfs/dbraw/zinc/84/88/55/1156848855.db2.gz DGLLPMDVCKCLKH-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001392680241 1157328056 /nfs/dbraw/zinc/32/80/56/1157328056.db2.gz YCTSDKACQWIESU-XJKSGUPXSA-N 0 3 321.396 2.274 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cnc3n2CCC3)CCCC1 ZINC001373847761 1157404954 /nfs/dbraw/zinc/40/49/54/1157404954.db2.gz JPYNHDHMTZLFFE-UHFFFAOYSA-N 0 3 322.840 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/nfs/dbraw/zinc/84/92/95/1157849295.db2.gz WCFAGBJXEMNGCB-LLVKDONJSA-N 0 3 319.236 2.170 20 30 DEEDHN Cc1ncsc1CN1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 ZINC001393596293 1157874084 /nfs/dbraw/zinc/87/40/84/1157874084.db2.gz FFMBFVFLXCUEHG-YPMHNXCESA-N 0 3 306.435 2.082 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CC23CCC3)CCOCC1 ZINC001393715817 1157920607 /nfs/dbraw/zinc/92/06/07/1157920607.db2.gz KBKQKBXCZUWQFX-ZDUSSCGKSA-N 0 3 312.841 2.184 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001374873988 1158068705 /nfs/dbraw/zinc/06/87/05/1158068705.db2.gz APJAKOTVLSBRPM-NEPJUHHUSA-N 0 3 323.437 2.291 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)n1C ZINC001375004032 1158191310 /nfs/dbraw/zinc/19/13/10/1158191310.db2.gz VWLYMTSYMLMBLY-AWEZNQCLSA-N 0 3 324.428 2.456 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cscn1 ZINC001375010972 1158200310 /nfs/dbraw/zinc/20/03/10/1158200310.db2.gz OMADTMUDXMDVND-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN COc1ccc(CN(C)[C@@H](C)CNC(=O)[C@H](C)C#N)cc1Cl ZINC001394046679 1158201583 /nfs/dbraw/zinc/20/15/83/1158201583.db2.gz UMMKHALFSJCPHX-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN Cc1cccc(CN(C)[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)c1 ZINC001394050175 1158207473 /nfs/dbraw/zinc/20/74/73/1158207473.db2.gz JOEFALDBYANEBN-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN CC1(C(=O)N[C@H](CNCc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001375233858 1158394159 /nfs/dbraw/zinc/39/41/59/1158394159.db2.gz VPXGZCPAODLIAI-MRXNPFEDSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001376500532 1159481549 /nfs/dbraw/zinc/48/15/49/1159481549.db2.gz GDXYXFWWJCVFKS-XHSDSOJGSA-N 0 3 322.836 2.233 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001376709375 1159712553 /nfs/dbraw/zinc/71/25/53/1159712553.db2.gz ZGUZFEHONGWPKS-FZMZJTMJSA-N 0 3 303.431 2.404 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](OC)[C@@H](C)CC)C1 ZINC001397604560 1160358430 /nfs/dbraw/zinc/35/84/30/1160358430.db2.gz IAOUUZNYIBUPAQ-DEQVHRJGSA-N 0 3 302.846 2.284 20 30 DEEDHN Cc1cc(CN2CC[C@@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C2)on1 ZINC001397813857 1160537589 /nfs/dbraw/zinc/53/75/89/1160537589.db2.gz QGXGDCROTDBSCV-GXTWGEPZSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001377712622 1160769339 /nfs/dbraw/zinc/76/93/39/1160769339.db2.gz NATMFGKEDSWATJ-ZALBZXLWSA-N 0 3 319.836 2.348 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cn(C)nc1C ZINC001398185574 1160810583 /nfs/dbraw/zinc/81/05/83/1160810583.db2.gz GHFFBDWSGWEYGK-ZFWWWQNUSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001377937734 1160876829 /nfs/dbraw/zinc/87/68/29/1160876829.db2.gz AAAUEQMZFFCLOT-ZDUSSCGKSA-N 0 3 302.846 2.240 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)c2ccco2)cc1C#N ZINC001398859666 1161126127 /nfs/dbraw/zinc/12/61/27/1161126127.db2.gz OSYNUAPUJWANJZ-LBPRGKRZSA-N 0 3 313.357 2.068 20 30 DEEDHN CC[C@@H](C)OCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001398925986 1161153320 /nfs/dbraw/zinc/15/33/20/1161153320.db2.gz ONWJKNVGDHSKDJ-CHWSQXEVSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@H](C)OCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001398925990 1161154267 /nfs/dbraw/zinc/15/42/67/1161154267.db2.gz ONWJKNVGDHSKDJ-OLZOCXBDSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001399431938 1161390341 /nfs/dbraw/zinc/39/03/41/1161390341.db2.gz RWTHCEFWANRXCA-CHWSQXEVSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)CCOc1cccc(Cl)c1 ZINC001401359399 1161949200 /nfs/dbraw/zinc/94/92/00/1161949200.db2.gz WJTANPYHTCWROU-ZDUSSCGKSA-N 0 3 323.824 2.269 20 30 DEEDHN Cc1cc(C)c(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)[nH]1 ZINC001401632698 1162052429 /nfs/dbraw/zinc/05/24/29/1162052429.db2.gz OPNHOPYMRDKJQC-GFCCVEGCSA-N 0 3 316.430 2.473 20 30 DEEDHN CCOC1CC(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)C1 ZINC001401684980 1162075238 /nfs/dbraw/zinc/07/52/38/1162075238.db2.gz IZUJIDROCPYTIU-HIFPTAJRSA-N 0 3 321.446 2.029 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001401750910 1162108888 /nfs/dbraw/zinc/10/88/88/1162108888.db2.gz NQVSTXNJVPKTBC-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN C=C(Cl)CN1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001402085739 1162241815 /nfs/dbraw/zinc/24/18/15/1162241815.db2.gz ZMFVYMYKIIWJNJ-CYBMUJFWSA-N 0 3 313.873 2.051 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC001405193266 1164006783 /nfs/dbraw/zinc/00/67/83/1164006783.db2.gz GGABEIOTZBWYMB-DOMZBBRYSA-N 0 3 321.396 2.107 20 30 DEEDHN CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NCc1ccccc1F ZINC001405227392 1164020759 /nfs/dbraw/zinc/02/07/59/1164020759.db2.gz UXSRMFWEAGKOGV-AWEZNQCLSA-N 0 3 314.364 2.324 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C1CCOCC1)C1CC1 ZINC001405416293 1164079364 /nfs/dbraw/zinc/07/93/64/1164079364.db2.gz XRNFMMYVURRBMX-OAHLLOKOSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H]1CCCCO1)C(C)C ZINC001406023122 1164394594 /nfs/dbraw/zinc/39/45/94/1164394594.db2.gz UYLNSRXJKNDUDJ-KBPBESRZSA-N 0 3 302.846 2.429 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001406456679 1164616097 /nfs/dbraw/zinc/61/60/97/1164616097.db2.gz USPNTMNKAQBSPL-QWRGUYRKSA-N 0 3 311.476 2.213 20 30 DEEDHN CSC[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406583947 1164694836 /nfs/dbraw/zinc/69/48/36/1164694836.db2.gz JKWBXBSHQBFTHK-KBPBESRZSA-N 0 3 319.474 2.494 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2ccnc(C)c2)CCOCC1 ZINC001408056404 1165452045 /nfs/dbraw/zinc/45/20/45/1165452045.db2.gz LBEBLMOCWRSGEC-UHFFFAOYSA-N 0 3 323.824 2.011 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cn2ccccc2n1 ZINC001408207773 1165532806 /nfs/dbraw/zinc/53/28/06/1165532806.db2.gz XHGLLLIUHVOWRT-ZDUSSCGKSA-N 0 3 320.824 2.114 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(COC)CCC2)C1 ZINC001417765264 1167197659 /nfs/dbraw/zinc/19/76/59/1167197659.db2.gz OJXVWUCYBDRSIW-BETUJISGSA-N 0 3 300.830 2.040 20 30 DEEDHN CC[C@H](F)CN(C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001418017951 1167363622 /nfs/dbraw/zinc/36/36/22/1167363622.db2.gz BZJYVISWQDSVGV-KBPBESRZSA-N 0 3 320.412 2.418 20 30 DEEDHN CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001418021321 1167366193 /nfs/dbraw/zinc/36/61/93/1167366193.db2.gz ISCOECPRKQBURO-LQPUYASZSA-N 0 3 320.824 2.423 20 30 DEEDHN Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)c(C)n1 ZINC001418121970 1167424561 /nfs/dbraw/zinc/42/45/61/1167424561.db2.gz IWAUXHVUGGLNRR-CJNGLKHVSA-N 0 3 314.433 2.186 20 30 DEEDHN CS[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418196537 1167478142 /nfs/dbraw/zinc/47/81/42/1167478142.db2.gz SHCIIQLORIQRDT-GHMZBOCLSA-N 0 3 309.410 2.043 20 30 DEEDHN CCN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccccc1C ZINC001418541582 1167800613 /nfs/dbraw/zinc/80/06/13/1167800613.db2.gz FFGUTPLKGXPBGQ-UHFFFAOYSA-N 0 3 310.401 2.447 20 30 DEEDHN CCN(CCNC(=O)c1nccs1)Cc1ccc(C#N)cc1 ZINC001418567290 1167816780 /nfs/dbraw/zinc/81/67/80/1167816780.db2.gz CKTADMVADWHGND-UHFFFAOYSA-N 0 3 314.414 2.267 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@@H](NCc1ccc(C#N)s1)C1CC1 ZINC001419278728 1168369975 /nfs/dbraw/zinc/36/99/75/1168369975.db2.gz NXXFKFQFIGFSHX-UONOGXRCSA-N 0 3 309.410 2.352 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001419343495 1168412511 /nfs/dbraw/zinc/41/25/11/1168412511.db2.gz QMTPHNHPZJKRFF-HNNXBMFYSA-N 0 3 309.797 2.028 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001419459058 1168505210 /nfs/dbraw/zinc/50/52/10/1168505210.db2.gz FKJGGYIXCUIKPX-TVYUQYBPSA-N 0 3 309.772 2.376 20 30 DEEDHN CC(C)n1ccc(CNC2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001419673715 1168787923 /nfs/dbraw/zinc/78/79/23/1168787923.db2.gz ROUWDXHTYXDGHB-NFOMZHRRSA-N 0 3 317.437 2.141 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnc2[nH]cnc2c1)C(C)C ZINC001419892604 1168894752 /nfs/dbraw/zinc/89/47/52/1168894752.db2.gz KXNGWAQFRRFCHR-ZDUSSCGKSA-N 0 3 321.812 2.054 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc(NC(N)=O)c1 ZINC001420150776 1169199157 /nfs/dbraw/zinc/19/91/57/1169199157.db2.gz LKQAANWUEUYMAF-LLVKDONJSA-N 0 3 324.812 2.028 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001420160288 1169203163 /nfs/dbraw/zinc/20/31/63/1169203163.db2.gz DGIBPXIQDZZIIM-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN CCN(CCNC(=O)[C@@H]1C[C@H]1C)Cc1ccc(OCC#N)cc1 ZINC001420366738 1169411254 /nfs/dbraw/zinc/41/12/54/1169411254.db2.gz NDTNMQSDOQUJCK-RHSMWYFYSA-N 0 3 315.417 2.183 20 30 DEEDHN CCC[C@@H](OC)C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001420966405 1171386599 /nfs/dbraw/zinc/38/65/99/1171386599.db2.gz AINCYHKPFUBSQO-MRXNPFEDSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCN1C(=O)C(C)(C)c1cnc[nH]1 ZINC001421135564 1171522450 /nfs/dbraw/zinc/52/24/50/1171522450.db2.gz JPBCDUHZBVCRRX-GFCCVEGCSA-N 0 3 310.829 2.020 20 30 DEEDHN Cc1ncc(CNC[C@@H](NC(=O)[C@@H](C)C#N)C2CCCC2)s1 ZINC001421162635 1171542756 /nfs/dbraw/zinc/54/27/56/1171542756.db2.gz TZIOCQDIRKQSTI-XHDPSFHLSA-N 0 3 320.462 2.376 20 30 DEEDHN CCCCC(=O)N1CCO[C@H](CNCc2ccc(C#N)s2)C1 ZINC001421804859 1172006634 /nfs/dbraw/zinc/00/66/34/1172006634.db2.gz PTYHFNWASDHBPE-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN CCC1(NCc2ncc(C)s2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001421942666 1172162881 /nfs/dbraw/zinc/16/28/81/1172162881.db2.gz SVYHNRCIPXSBNW-LBPRGKRZSA-N 0 3 320.462 2.472 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H](C)CC)C1 ZINC001422256320 1172444521 /nfs/dbraw/zinc/44/45/21/1172444521.db2.gz LMDFXEJKCZZEES-GCVQQVDUSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@H](C)CC)C1 ZINC001422256322 1172444585 /nfs/dbraw/zinc/44/45/85/1172444585.db2.gz LMDFXEJKCZZEES-OIKLOGQESA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccnn2C(C)C)C1 ZINC001422261866 1172446690 /nfs/dbraw/zinc/44/66/90/1172446690.db2.gz YYIXXLXHVIINKV-UHFFFAOYSA-N 0 3 310.829 2.315 20 30 DEEDHN O=C1C=COC2(CCN(C[C@@H]3CCC[C@]4(CCOC4)O3)CC2)C1 ZINC001422331760 1172497814 /nfs/dbraw/zinc/49/78/14/1172497814.db2.gz PAUPDUHRHGPUET-FUHWJXTLSA-N 0 3 321.417 2.052 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)CCc1ccoc1 ZINC001422472956 1172619775 /nfs/dbraw/zinc/61/97/75/1172619775.db2.gz DNHJWZQTVPNHPR-GFCCVEGCSA-N 0 3 317.414 2.440 20 30 DEEDHN CCC1(C(=O)N[C@@H](C)CNCc2cc(C#N)ccc2OC)CC1 ZINC001422695148 1172813440 /nfs/dbraw/zinc/81/34/40/1172813440.db2.gz IDXRKKBEDKBKDH-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]21 ZINC001422799236 1172869371 /nfs/dbraw/zinc/86/93/71/1172869371.db2.gz DYUXQVVSYDGCCI-MPESAESLSA-N 0 3 317.820 2.294 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC001422903409 1172910812 /nfs/dbraw/zinc/91/08/12/1172910812.db2.gz HJFORJQUNFXFJW-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001422904412 1172911418 /nfs/dbraw/zinc/91/14/18/1172911418.db2.gz NJDXPEDUORCMBN-HAQNSBGRSA-N 0 3 311.813 2.396 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001422906478 1172915630 /nfs/dbraw/zinc/91/56/30/1172915630.db2.gz VBIGJGXGRCPMHG-JHJVBQTASA-N 0 3 322.840 2.067 20 30 DEEDHN Cc1nsc(C)c1CNC[C@H](C1CC1)N(C)C(=O)[C@H](C)C#N ZINC001422985908 1172999377 /nfs/dbraw/zinc/99/93/77/1172999377.db2.gz KEFJSDOBFDQTQD-MEBBXXQBSA-N 0 3 320.462 2.246 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1nccs1)NCc1ccc(C#N)s1 ZINC001423137243 1173107133 /nfs/dbraw/zinc/10/71/33/1173107133.db2.gz SYJNNOMUQFDDMN-JTQLQIEISA-N 0 3 320.443 2.327 20 30 DEEDHN C[C@@H](C(=O)NCC1(NCc2ccc(C#N)cc2)CC1)n1cccc1 ZINC001423194563 1173159429 /nfs/dbraw/zinc/15/94/29/1173159429.db2.gz DWFZTUMMFQIPMJ-HNNXBMFYSA-N 0 3 322.412 2.359 20 30 DEEDHN C=C(Cl)CN1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001423659444 1173472867 /nfs/dbraw/zinc/47/28/67/1173472867.db2.gz BGFNFEFUIATMSK-AWEZNQCLSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C(C)(C)F ZINC001424743269 1173894684 /nfs/dbraw/zinc/89/46/84/1173894684.db2.gz ABACSTQMLKWLJP-QWRGUYRKSA-N 0 3 309.360 2.428 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001424941557 1174046915 /nfs/dbraw/zinc/04/69/15/1174046915.db2.gz RODNFIGAGDHXGJ-NWDGAFQWSA-N 0 3 310.829 2.019 20 30 DEEDHN CC(=O)CCCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)cc1 ZINC001425517792 1174348257 /nfs/dbraw/zinc/34/82/57/1174348257.db2.gz JTVMKKMREHNINH-AWEZNQCLSA-N 0 3 315.417 2.254 20 30 DEEDHN C=C(Cl)CN[C@H]1CCN(C(=O)CCCn2ccnc2C)[C@@H]1C ZINC001425888807 1174499177 /nfs/dbraw/zinc/49/91/77/1174499177.db2.gz PUKTUCPCTAVAKF-HIFRSBDPSA-N 0 3 324.856 2.303 20 30 DEEDHN Cc1ncc(CN2CCC([C@H](C)NC(=O)[C@H](C)C#N)CC2)s1 ZINC001426181519 1174633994 /nfs/dbraw/zinc/63/39/94/1174633994.db2.gz NCPONDSOSUQJGC-NEPJUHHUSA-N 0 3 320.462 2.328 20 30 DEEDHN COc1ccc(CNC(=O)C2(N(C)C)CCCC2)cc1C#N ZINC001434327446 1178382122 /nfs/dbraw/zinc/38/21/22/1178382122.db2.gz XZUHLWRYHQKWOF-UHFFFAOYSA-N 0 3 301.390 2.057 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001436664301 1179173480 /nfs/dbraw/zinc/17/34/80/1179173480.db2.gz PPUZUAAWOODGBP-AWEZNQCLSA-N 0 3 310.401 2.141 20 30 DEEDHN Cc1ccncc1CN1CCC2(C[C@H]2NC(=O)[C@H](C)C#N)CC1 ZINC001436746047 1179214452 /nfs/dbraw/zinc/21/44/52/1179214452.db2.gz FZMACJARNINCPY-GDBMZVCRSA-N 0 3 312.417 2.020 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@@H]1CCN(C(=O)CCCF)C1 ZINC001437306655 1179709842 /nfs/dbraw/zinc/70/98/42/1179709842.db2.gz ARLWYZDUSAGTJS-ZDUSSCGKSA-N 0 3 321.371 2.385 20 30 DEEDHN CC[C@H](CNC(=O)[C@H]1CC12CC2)NCc1ccc(C#N)c(F)c1 ZINC001438344994 1180359709 /nfs/dbraw/zinc/35/97/09/1180359709.db2.gz NDZZBCVUXCDATP-HUUCEWRRSA-N 0 3 315.392 2.482 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438632446 1180700686 /nfs/dbraw/zinc/70/06/86/1180700686.db2.gz RVSMUTRIAQPRTC-LRDDRELGSA-N 0 3 321.396 2.059 20 30 DEEDHN CC[C@@H](OC)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438632449 1180703113 /nfs/dbraw/zinc/70/31/13/1180703113.db2.gz RVSMUTRIAQPRTC-MLGOLLRUSA-N 0 3 321.396 2.059 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001439319528 1181019565 /nfs/dbraw/zinc/01/95/65/1181019565.db2.gz OMHBHWGKGFIFHE-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN CC[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001439592662 1181160970 /nfs/dbraw/zinc/16/09/70/1181160970.db2.gz FVBDGOATUCUPTI-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1nc(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)c(C)o1 ZINC001439654841 1181187463 /nfs/dbraw/zinc/18/74/63/1181187463.db2.gz XQMNDJMHSSVAOK-UHFFFAOYSA-N 0 3 324.384 2.215 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001439769578 1181228716 /nfs/dbraw/zinc/22/87/16/1181228716.db2.gz VLOFNLSUFTXHLX-QWHCGFSZSA-N 0 3 321.446 2.125 20 30 DEEDHN CCc1nc(CNC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC001439888453 1181292584 /nfs/dbraw/zinc/29/25/84/1181292584.db2.gz OMHZRACUQFMFCO-WBMJQRKESA-N 0 3 320.462 2.193 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)C(CC)CC)CC1 ZINC001440623993 1181616481 /nfs/dbraw/zinc/61/64/81/1181616481.db2.gz CRZTYEIIXCDBGV-UHFFFAOYSA-N 0 3 302.846 2.118 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1ccc[nH]1 ZINC001440788916 1181693014 /nfs/dbraw/zinc/69/30/14/1181693014.db2.gz QEBAMFQSHWGAHF-MNOVXSKESA-N 0 3 302.403 2.244 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440901701 1181752545 /nfs/dbraw/zinc/75/25/45/1181752545.db2.gz PVIDQIGMUAFJNZ-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CC2(CO1)CCN(C(=O)C(C)C)CC2 ZINC001441340048 1181949327 /nfs/dbraw/zinc/94/93/27/1181949327.db2.gz WXUPDUFPBNNHRX-AWEZNQCLSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)Cc2cncc(C)c2)C1 ZINC001441357511 1181955244 /nfs/dbraw/zinc/95/52/44/1181955244.db2.gz NMVRRAXYWJOWLI-SHTZXODSSA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001441356504 1181955567 /nfs/dbraw/zinc/95/55/67/1181955567.db2.gz GTWJDFYRGQHPHF-JOCQHMNTSA-N 0 3 324.808 2.107 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001441456530 1182003756 /nfs/dbraw/zinc/00/37/56/1182003756.db2.gz LPNRZNPHBDUNSW-XRRVDJEJSA-N 0 3 307.344 2.422 20 30 DEEDHN CC[C@H](OC)C(=O)N(C)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001441511881 1182033675 /nfs/dbraw/zinc/03/36/75/1182033675.db2.gz MLOZCMDQLPBPJV-LRDDRELGSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C2CC2)cnn1C ZINC001442266988 1182396181 /nfs/dbraw/zinc/39/61/81/1182396181.db2.gz ZIUKSVRMPVQUPU-LLVKDONJSA-N 0 3 310.829 2.148 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC001442297608 1182409434 /nfs/dbraw/zinc/40/94/34/1182409434.db2.gz VINWZABECZGFKV-MRVPVSSYSA-N 0 3 306.744 2.198 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(OC)c(Cl)c1 ZINC001442653890 1182611772 /nfs/dbraw/zinc/61/17/72/1182611772.db2.gz XIZVNXOEGGRYNN-GFCCVEGCSA-N 0 3 323.824 2.446 20 30 DEEDHN C[C@H](CNC/C(Cl)=C/Cl)CNC(=O)c1c[nH]c(C#N)c1 ZINC001444292331 1183334425 /nfs/dbraw/zinc/33/44/25/1183334425.db2.gz HMFKIMXOQFLYCU-GRXJFFANSA-N 0 3 315.204 2.161 20 30 DEEDHN Cc1cc(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)ccn1 ZINC001444380561 1183364889 /nfs/dbraw/zinc/36/48/89/1183364889.db2.gz LTXFVBYOZCIDQA-AWEZNQCLSA-N 0 3 322.412 2.417 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C[C@](C)(O)C2CC2)CCCC1 ZINC001444506530 1183421161 /nfs/dbraw/zinc/42/11/61/1183421161.db2.gz YMBLIXPIVBIMNE-HNNXBMFYSA-N 0 3 314.857 2.309 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C1=COCCC1 ZINC001444580135 1183466090 /nfs/dbraw/zinc/46/60/90/1183466090.db2.gz GUOJJPHIBWHKQH-GFCCVEGCSA-N 0 3 319.430 2.251 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001444645750 1183497125 /nfs/dbraw/zinc/49/71/25/1183497125.db2.gz CMRDJMBBCDXURB-LALPHHSUSA-N 0 3 303.381 2.290 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001445711493 1184006056 /nfs/dbraw/zinc/00/60/56/1184006056.db2.gz LMFILKUOCNHAOA-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN COc1ccc(CNC2(CNC(=O)C(C)C)CCC2)cc1C#N ZINC001447176452 1184662248 /nfs/dbraw/zinc/66/22/48/1184662248.db2.gz RCNFXMAOFNAUQE-UHFFFAOYSA-N 0 3 315.417 2.351 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001447604201 1184822604 /nfs/dbraw/zinc/82/26/04/1184822604.db2.gz ZXTWMNYZWAIDMW-OCCSQVGLSA-N 0 3 314.857 2.118 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001447818486 1184882576 /nfs/dbraw/zinc/88/25/76/1184882576.db2.gz HXNCJBASKKYNAT-HSBZDZAISA-N 0 3 323.824 2.086 20 30 DEEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC/C=C/Cl ZINC001449074926 1185519903 /nfs/dbraw/zinc/51/99/03/1185519903.db2.gz RLBZUHOSMLIPMR-YIALFULDSA-N 0 3 306.797 2.079 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)[C@@H]1CCCCN1C)C(C)C ZINC001449264938 1185597899 /nfs/dbraw/zinc/59/78/99/1185597899.db2.gz GGYHMYDNLJPPHW-HNNXBMFYSA-N 0 3 315.889 2.392 20 30 DEEDHN C=CCN(C)c1nnc([C@@H]2CCCN(C)C2)n1CCCOCC ZINC001346861455 1151028240 /nfs/dbraw/zinc/02/82/40/1151028240.db2.gz WQLLJYDEHSOFOR-OAHLLOKOSA-N 0 3 321.469 2.136 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)CCc1ccccn1)C(C)C ZINC001406027728 1164396210 /nfs/dbraw/zinc/39/62/10/1164396210.db2.gz BJDZEWKQLBJWSC-OAHLLOKOSA-N 0 3 309.841 2.497 20 30 DEEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CN1C(=O)C(C)(F)F ZINC001331954267 1149798212 /nfs/dbraw/zinc/79/82/12/1149798212.db2.gz PDXBLYWHQGRFOJ-UKRRQHHQSA-N 0 3 306.356 2.272 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC[C@H]3CC(C)(C)CO3)CCC[C@@H]12 ZINC001332116646 1149821659 /nfs/dbraw/zinc/82/16/59/1149821659.db2.gz IZMLLWUBEZQVGH-FRQCXROJSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCC1(CNCc2ccns2)CC1 ZINC001168434595 782254819 /nfs/dbraw/zinc/25/48/19/782254819.db2.gz MIWJRJIKPXFUJL-ZDUSSCGKSA-N 0 3 323.462 2.110 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCC(C)(C)C ZINC001234267428 782446362 /nfs/dbraw/zinc/44/63/62/782446362.db2.gz ZFVXVACBGFIXKW-JKSUJKDBSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(COC)cs3)C2)C1 ZINC001072898865 790294471 /nfs/dbraw/zinc/29/44/71/790294471.db2.gz YHEAEEYVUZMBHO-UHFFFAOYSA-N 0 3 306.431 2.228 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](NC/C=C\Cl)C(C)(C)C2)cn1 ZINC001332437256 1149860071 /nfs/dbraw/zinc/86/00/71/1149860071.db2.gz LUCDJBYDRIXEHS-KKTNHOPESA-N 0 3 317.820 2.256 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(CCC)cc1 ZINC001332663020 1149877589 /nfs/dbraw/zinc/87/75/89/1149877589.db2.gz JLSLFJSKPYVNOT-QGZVFWFLSA-N 0 3 304.434 2.190 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1ccn(CC(F)F)n1)C(C)C ZINC001332711815 1149883017 /nfs/dbraw/zinc/88/30/17/1149883017.db2.gz VWCSZFAMLWFCJR-UHFFFAOYSA-N 0 3 314.380 2.117 20 30 DEEDHN C#CCCN(C)CCN(C(=O)C[C@@H](C)[C@@H]1CCCO1)C(C)C ZINC001332741355 1149887166 /nfs/dbraw/zinc/88/71/66/1149887166.db2.gz XZLNAOZBMKDBLS-SJORKVTESA-N 0 3 308.466 2.384 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001099220504 782668898 /nfs/dbraw/zinc/66/88/98/782668898.db2.gz OQBOFBCDIGEKAW-CVEARBPZSA-N 0 3 308.466 2.288 20 30 DEEDHN CC[C@H](C(=O)N[C@H](C)CCNc1cccc(F)c1C#N)N(C)C ZINC001106389223 782682691 /nfs/dbraw/zinc/68/26/91/782682691.db2.gz GXNAIQJGQUDTLP-MLGOLLRUSA-N 0 3 320.412 2.344 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCC(C)(C)CN2CCO)CCC1 ZINC001099225049 782702660 /nfs/dbraw/zinc/70/26/60/782702660.db2.gz NHFDTPSUKLRDFD-OAHLLOKOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](CNCc2ccn(CC)n2)[C@H](C)C1 ZINC001106611735 782812465 /nfs/dbraw/zinc/81/24/65/782812465.db2.gz CNROMBMSNGXEQN-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3n[nH]cc3c1)C2 ZINC001095749287 783073888 /nfs/dbraw/zinc/07/38/88/783073888.db2.gz BYSIWMAQEMVBOR-NJAFHUGGSA-N 0 3 324.428 2.403 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC(C)(C)CO1)C2 ZINC001095781392 783092522 /nfs/dbraw/zinc/09/25/22/783092522.db2.gz UPHJDXRTYKGZFI-NCOADZHNSA-N 0 3 318.461 2.327 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc3ccccn32)CC(C)(C)C1 ZINC001089427237 783095998 /nfs/dbraw/zinc/09/59/98/783095998.db2.gz PUSLAYCVVORPQW-OAHLLOKOSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)C[C@@H]1C ZINC000947376970 783119927 /nfs/dbraw/zinc/11/99/27/783119927.db2.gz CJIHFYVBJDVRJO-DOTOQJQBSA-N 0 3 309.413 2.464 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C[C@@H]1C ZINC000947391505 783125091 /nfs/dbraw/zinc/12/50/91/783125091.db2.gz MPMVVIAIZHGWCD-RDJZCZTQSA-N 0 3 322.412 2.088 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000947391504 783124632 /nfs/dbraw/zinc/12/46/32/783124632.db2.gz MPMVVIAIZHGWCD-NVXWUHKLSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncn3ccc(C)cc23)C[C@H]1C ZINC000947468474 783145350 /nfs/dbraw/zinc/14/53/50/783145350.db2.gz KIYFYXNYPZKJMP-HUUCEWRRSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)nn2CC)C[C@H]1C ZINC000947493245 783152571 /nfs/dbraw/zinc/15/25/71/783152571.db2.gz RDUNETKBRRIVEU-CABCVRRESA-N 0 3 316.449 2.242 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C[C@H]1C ZINC000947543222 783167865 /nfs/dbraw/zinc/16/78/65/783167865.db2.gz QQLMBVAMKGAQMH-ZBFHGGJFSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2nc(CC)oc2C)CC(C)(C)C1 ZINC001089515409 783177174 /nfs/dbraw/zinc/17/71/74/783177174.db2.gz XASGVENLGFLLJM-AWEZNQCLSA-N 0 3 317.433 2.399 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2F)C[C@H]1C ZINC000947754962 783223477 /nfs/dbraw/zinc/22/34/77/783223477.db2.gz WBCLRQOMFJSAPK-HIFRSBDPSA-N 0 3 320.383 2.500 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)ncc2Cl)C[C@H]1C ZINC000947779214 783230851 /nfs/dbraw/zinc/23/08/51/783230851.db2.gz OBXPQRDCVPLUAZ-YPMHNXCESA-N 0 3 320.824 2.044 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccsc3C)C2)C1 ZINC001073037645 790407957 /nfs/dbraw/zinc/40/79/57/790407957.db2.gz CMVWKQYRFBVPBW-UHFFFAOYSA-N 0 3 302.443 2.157 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCO[C@H](CCC)C3)C2)C1 ZINC001073083545 790440852 /nfs/dbraw/zinc/44/08/52/790440852.db2.gz DQXVSOXABCLODU-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCCC(=O)NC1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001073092268 790448518 /nfs/dbraw/zinc/44/85/18/790448518.db2.gz QLCJKWPDOSXPQA-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCO[C@H](C(C)C)C3)C2)C1 ZINC001073106353 790457637 /nfs/dbraw/zinc/45/76/37/790457637.db2.gz ZBURZPVXGGOQGK-HOTGVXAUSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCO[C@@H](CC)C3)C2)C1 ZINC001073108713 790460073 /nfs/dbraw/zinc/46/00/73/790460073.db2.gz HZFGHDJOOCLJIE-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001171043742 790475155 /nfs/dbraw/zinc/47/51/55/790475155.db2.gz PMLONANMNDJNDE-GJZGRUSLSA-N 0 3 321.469 2.497 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001171043741 790475616 /nfs/dbraw/zinc/47/56/16/790475616.db2.gz PMLONANMNDJNDE-CABCVRRESA-N 0 3 321.469 2.497 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)[C@@H](C)COC)CC1 ZINC001160314097 790484435 /nfs/dbraw/zinc/48/44/35/790484435.db2.gz GSDFEAYQCKWASE-HOTGVXAUSA-N 0 3 306.450 2.067 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCc2ccoc2)s1 ZINC001125484178 777060813 /nfs/dbraw/zinc/06/08/13/777060813.db2.gz QILHKKKCRJXROP-UHFFFAOYSA-N 0 3 303.387 2.051 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001111489846 777186280 /nfs/dbraw/zinc/18/62/80/777186280.db2.gz MQVWFAMSZOCVQD-HPBDAGMYSA-N 0 3 314.429 2.499 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C ZINC001104386163 777229265 /nfs/dbraw/zinc/22/92/65/777229265.db2.gz IEAUKFIMVVIFEG-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCCOCC)C[C@H]1c1ccccc1 ZINC001211541748 777326230 /nfs/dbraw/zinc/32/62/30/777326230.db2.gz FUGSGLLNRANHCC-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN C[C@H](CNc1cccc(F)c1C#N)N(C)C(=O)[C@@H]1CCCN1C ZINC001104502403 777561921 /nfs/dbraw/zinc/56/19/21/777561921.db2.gz NNPVSZVBNZDENA-WBMJQRKESA-N 0 3 318.396 2.050 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H](OC)C1 ZINC001213419393 777667799 /nfs/dbraw/zinc/66/77/99/777667799.db2.gz VSWANMPXBUDYDH-LHHMISFZSA-N 0 3 306.450 2.348 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3cc(C)on3)C(C)(C)[C@H]21 ZINC001087270377 777675015 /nfs/dbraw/zinc/67/50/15/777675015.db2.gz YYJIOELXCVCFNJ-KBMXLJTQSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)n3C)C(C)(C)[C@H]21 ZINC001087270709 777676734 /nfs/dbraw/zinc/67/67/34/777676734.db2.gz FJQBBIPBOLKBIN-OIISXLGYSA-N 0 3 313.445 2.186 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)[C@@H]21 ZINC001087280422 777707975 /nfs/dbraw/zinc/70/79/75/777707975.db2.gz OUOPXUXRDAPRAS-DJIMGWMZSA-N 0 3 324.428 2.128 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)[C@H]21 ZINC001087281625 777712607 /nfs/dbraw/zinc/71/26/07/777712607.db2.gz JRFOBCOEALRBIW-PVAVHDDUSA-N 0 3 324.428 2.128 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1ccoc1 ZINC001087283236 777720700 /nfs/dbraw/zinc/72/07/00/777720700.db2.gz MDXXNTOLDXFYMA-HYVNUMGLSA-N 0 3 300.402 2.061 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3coc(OC)n3)C(C)(C)[C@@H]21 ZINC001087299626 777747081 /nfs/dbraw/zinc/74/70/81/777747081.db2.gz ZOITZTLGHWAKHL-MRVWCRGKSA-N 0 3 319.405 2.088 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3conc3C)C(C)(C)[C@H]21 ZINC001087303558 777755325 /nfs/dbraw/zinc/75/53/25/777755325.db2.gz OEACAZBMUVTQAG-KBMXLJTQSA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ncccc3F)C(C)(C)[C@H]21 ZINC001087310344 777768333 /nfs/dbraw/zinc/76/83/33/777768333.db2.gz VBYJOZVGMRITGK-WQVCFCJDSA-N 0 3 315.392 2.073 20 30 DEEDHN N#Cc1ccc2ncc(-n3nc(CN)c4ccccc43)nc2c1 ZINC001167697355 777887777 /nfs/dbraw/zinc/88/77/77/777887777.db2.gz VOZCXZPYNFCJTL-UHFFFAOYSA-N 0 3 300.325 2.299 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(OC)nc3)C2)C1=O ZINC001137033229 790607293 /nfs/dbraw/zinc/60/72/93/790607293.db2.gz VSKXLJZUHZNFPG-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C(=O)CN(CC)CC)CC1(C)C ZINC001073341447 790607472 /nfs/dbraw/zinc/60/74/72/790607472.db2.gz HXMFYENQECLJBC-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc(OC)nc3)C2)C1=O ZINC001137033230 790607784 /nfs/dbraw/zinc/60/77/84/790607784.db2.gz VSKXLJZUHZNFPG-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001073343251 790608654 /nfs/dbraw/zinc/60/86/54/790608654.db2.gz MXNGMHFNZPUUES-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)Oc3cccc(C)c3)C2)C1 ZINC001073410930 790643782 /nfs/dbraw/zinc/64/37/82/790643782.db2.gz YBJMKVBSVUOSFI-MRXNPFEDSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3cccc(C)c3)C2)C1 ZINC001073425518 790650364 /nfs/dbraw/zinc/65/03/64/790650364.db2.gz ZHHIAFMBTMRRDB-UHFFFAOYSA-N 0 3 300.402 2.094 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001126366286 778839851 /nfs/dbraw/zinc/83/98/51/778839851.db2.gz UKQJIJXHSPVGHC-HNNXBMFYSA-N 0 3 314.788 2.012 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3conc3CC)C[C@]2(C)C1 ZINC000982529258 778856471 /nfs/dbraw/zinc/85/64/71/778856471.db2.gz NUJZJWARZHUPED-CALCHBBNSA-N 0 3 303.406 2.207 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001073442741 790658053 /nfs/dbraw/zinc/65/80/53/790658053.db2.gz SDELOCBJASCHBE-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(OC)cc2F)CC1 ZINC000983482393 779101544 /nfs/dbraw/zinc/10/15/44/779101544.db2.gz LHXJTKYKDVFDQD-UHFFFAOYSA-N 0 3 320.408 2.487 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)COC(C)C)CC1 ZINC001105389271 779258844 /nfs/dbraw/zinc/25/88/44/779258844.db2.gz MNWVSWZNFATLQW-SFHVURJKSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001059318137 779322567 /nfs/dbraw/zinc/32/25/67/779322567.db2.gz VSBOBGKDBKRDJH-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2OC)[C@H]1CC ZINC001087752252 779437118 /nfs/dbraw/zinc/43/71/18/779437118.db2.gz ZMEGMRFKTIQLDK-LSDHHAIUSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CC)c2C)[C@H]1CC ZINC001087771529 779445268 /nfs/dbraw/zinc/44/52/68/779445268.db2.gz JPNLAXLHYYBDNE-JKSUJKDBSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@H]1CC ZINC001087853479 779487060 /nfs/dbraw/zinc/48/70/60/779487060.db2.gz SBVOIGJAFVLQGA-GXTWGEPZSA-N 0 3 315.373 2.302 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@@H]2C1 ZINC001087993957 779621031 /nfs/dbraw/zinc/62/10/31/779621031.db2.gz LFUVRZGITGSSTG-KGLIPLIRSA-N 0 3 318.367 2.382 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)COCC(F)F)C12CCC2 ZINC001203220020 779662508 /nfs/dbraw/zinc/66/25/08/779662508.db2.gz HTUDFKXFEASVKC-WDEREUQCSA-N 0 3 322.783 2.038 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)C[C@@H]2C1 ZINC001088098083 779699294 /nfs/dbraw/zinc/69/92/94/779699294.db2.gz UNCRSSHZBHGWJO-SFNKJDCFSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C1 ZINC001088179914 779759347 /nfs/dbraw/zinc/75/93/47/779759347.db2.gz GQKZHXIQPNGHLB-CABCVRRESA-N 0 3 302.805 2.367 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)cn3)C[C@@H]2C1 ZINC001088186573 779764718 /nfs/dbraw/zinc/76/47/18/779764718.db2.gz GXQXBARSEQFRKF-MSOLQXFVSA-N 0 3 323.440 2.376 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@@H]2C1 ZINC001088210527 779774474 /nfs/dbraw/zinc/77/44/74/779774474.db2.gz ONRDBHNJZFWTHX-SJORKVTESA-N 0 3 311.429 2.116 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001088225288 779779495 /nfs/dbraw/zinc/77/94/95/779779495.db2.gz IGWUOGNCHFOHIA-QGZVFWFLSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001088232267 779785984 /nfs/dbraw/zinc/78/59/84/779785984.db2.gz MJJXPAFJYDHXCX-DBCFMDJHSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000985482299 779862744 /nfs/dbraw/zinc/86/27/44/779862744.db2.gz WJDIAJKMMGAXBT-ZIAGYGMSSA-N 0 3 322.840 2.189 20 30 DEEDHN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000985482299 779862752 /nfs/dbraw/zinc/86/27/52/779862752.db2.gz WJDIAJKMMGAXBT-ZIAGYGMSSA-N 0 3 322.840 2.189 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCn2cccn2)C1 ZINC001088265165 779870288 /nfs/dbraw/zinc/87/02/88/779870288.db2.gz TZMRCHPPFPIWGP-HNNXBMFYSA-N 0 3 324.856 2.387 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc(C)nn2C)C1 ZINC001088274030 779894526 /nfs/dbraw/zinc/89/45/26/779894526.db2.gz OKRIJOHNAOMUPG-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN Cc1noc(C)c1CN[C@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088280007 779901222 /nfs/dbraw/zinc/90/12/22/779901222.db2.gz HBUDKZBMDYQACH-DOMZBBRYSA-N 0 3 318.421 2.312 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cn(C)nc2C)C1 ZINC001088281769 779903654 /nfs/dbraw/zinc/90/36/54/779903654.db2.gz SYCBZJRPJAFJLS-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN CC(C)(C(=O)N1CCCCC[C@H](NCC#N)C1)N1CCCCC1 ZINC001088315103 779938909 /nfs/dbraw/zinc/93/89/09/779938909.db2.gz OHXNWXKNIKHTOD-INIZCTEOSA-N 0 3 320.481 2.135 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2[nH]ccc2C2CC2)C1 ZINC001073630318 790752498 /nfs/dbraw/zinc/75/24/98/790752498.db2.gz RTLZOTBAACKTPI-OAHLLOKOSA-N 0 3 317.433 2.289 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2cncn2C)C1 ZINC001088413413 780088078 /nfs/dbraw/zinc/08/80/78/780088078.db2.gz FWLFBIBJVYIMDH-AWEZNQCLSA-N 0 3 324.856 2.076 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2nonc2C)C1 ZINC001088433845 780122744 /nfs/dbraw/zinc/12/27/44/780122744.db2.gz HMMLEIZTUBMNTA-GFCCVEGCSA-N 0 3 312.801 2.105 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CN(CC)CCCO2)cc1 ZINC001073664730 790776978 /nfs/dbraw/zinc/77/69/78/790776978.db2.gz NUWWSHQUHSLCKG-KRWDZBQOSA-N 0 3 318.417 2.092 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001059747747 780309664 /nfs/dbraw/zinc/30/96/64/780309664.db2.gz PWPOSXRXHPBXCB-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H]1CN(C)CC1N=Nc1cc(CO)ccc1Br ZINC000841653640 780415348 /nfs/dbraw/zinc/41/53/48/780415348.db2.gz JACINMJSBQFKPQ-VIFPVBQESA-N 0 3 312.211 2.291 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2CC2CCC2)[C@H]1C ZINC001088570071 780493453 /nfs/dbraw/zinc/49/34/53/780493453.db2.gz ZNKLOBRHIHJJMS-ZBFHGGJFSA-N 0 3 316.449 2.452 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)[C@H]1C ZINC001088596789 780565268 /nfs/dbraw/zinc/56/52/68/780565268.db2.gz SUEUAWAFJHWPRP-CABCVRRESA-N 0 3 304.438 2.308 20 30 DEEDHN COc1ccc2c(c1)C[C@@H](N1CCC3SC(=O)C=C3C1)C2 ZINC001168268225 780579004 /nfs/dbraw/zinc/57/90/04/780579004.db2.gz OVGNMIPDMDDSLQ-GOEBONIOSA-N 0 3 301.411 2.437 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnn2C(CC)CC)[C@H]1C ZINC001088620965 780657686 /nfs/dbraw/zinc/65/76/86/780657686.db2.gz JEUKFOQCBXCFTQ-ZBFHGGJFSA-N 0 3 316.449 2.460 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)[C@H]1C ZINC001088658152 780694330 /nfs/dbraw/zinc/69/43/30/780694330.db2.gz LAZCZMAWJKPEKX-KFWWJZLASA-N 0 3 316.449 2.234 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)[C@H]1C ZINC001088705034 780875777 /nfs/dbraw/zinc/87/57/77/780875777.db2.gz SPCKRVICVNQBGR-PWSUYJOCSA-N 0 3 320.824 2.156 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(=O)oc2C)[C@H]1C ZINC001088726545 780918278 /nfs/dbraw/zinc/91/82/78/780918278.db2.gz BYUWRSRYYHTXMH-OCCSQVGLSA-N 0 3 304.390 2.025 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)[C@@H]2C1 ZINC001075979842 780952003 /nfs/dbraw/zinc/95/20/03/780952003.db2.gz XILOOMMSCVGZNJ-DZGCQCFKSA-N 0 3 316.449 2.430 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)c3)[C@@H]2C1 ZINC001075994944 780979502 /nfs/dbraw/zinc/97/95/02/780979502.db2.gz QMFSQCSOLWXALA-FUHWJXTLSA-N 0 3 309.413 2.129 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(OC)ns2)C1 ZINC001091034092 790843597 /nfs/dbraw/zinc/84/35/97/790843597.db2.gz YGZPOZMEINSABV-UHFFFAOYSA-N 0 3 315.826 2.002 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)[C@H]1C ZINC001088819824 781052659 /nfs/dbraw/zinc/05/26/59/781052659.db2.gz RWTAPUMHRFHFFC-JLZZUVOBSA-N 0 3 300.377 2.068 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc4nccn43)[C@@H]2C1 ZINC001076033318 781086182 /nfs/dbraw/zinc/08/61/82/781086182.db2.gz MAZHKLDBHXPFGF-GOEBONIOSA-N 0 3 310.401 2.057 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc4cn[nH]c43)[C@@H]2C1 ZINC001076360932 781232835 /nfs/dbraw/zinc/23/28/35/781232835.db2.gz XZBKGXRRIGKMKP-XJKSGUPXSA-N 0 3 310.401 2.204 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc4c[nH]nc43)[C@@H]2C1 ZINC001076360932 781232844 /nfs/dbraw/zinc/23/28/44/781232844.db2.gz XZBKGXRRIGKMKP-XJKSGUPXSA-N 0 3 310.401 2.204 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc4ccncc4c3)[C@@H]2C1 ZINC001076436171 781267034 /nfs/dbraw/zinc/26/70/34/781267034.db2.gz YRFWGJBMKHUCBQ-PKOBYXMFSA-N 0 3 319.408 2.404 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccnc3OCC)[C@@H]2C1 ZINC001076520592 781293360 /nfs/dbraw/zinc/29/33/60/781293360.db2.gz NTYLQRMIXMNASM-GOEBONIOSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001076530693 781299290 /nfs/dbraw/zinc/29/92/90/781299290.db2.gz ATTVGKHDYWAOIG-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001076796937 781388066 /nfs/dbraw/zinc/38/80/66/781388066.db2.gz KPCKJEIAWXVZCB-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001073811951 790895950 /nfs/dbraw/zinc/89/59/50/790895950.db2.gz QCGWUDYAPPIHSN-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CN(CC)CC)C1 ZINC001060262786 781751566 /nfs/dbraw/zinc/75/15/66/781751566.db2.gz CVRPWZWKSSJEAZ-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H]1c2ccccc2CNC1=O ZINC001171189157 790920210 /nfs/dbraw/zinc/92/02/10/790920210.db2.gz BVARNWGNUHKCII-SCLBCKFNSA-N 0 3 305.381 2.450 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)C[C@H]1C ZINC000947885988 783257632 /nfs/dbraw/zinc/25/76/32/783257632.db2.gz FBQMJNPVKURGQT-CABCVRRESA-N 0 3 314.404 2.460 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CC=C)[C@H](C)C1 ZINC000947903417 783263857 /nfs/dbraw/zinc/26/38/57/783263857.db2.gz ILWDREKIZUJETH-HUUCEWRRSA-N 0 3 315.417 2.415 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C[C@@H]1C ZINC000947915848 783267299 /nfs/dbraw/zinc/26/72/99/783267299.db2.gz GZJISHKOZNYWKT-GOEBONIOSA-N 0 3 316.449 2.378 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000947967402 783279154 /nfs/dbraw/zinc/27/91/54/783279154.db2.gz ONBSQIWJOJHGRJ-GDBMZVCRSA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001089625369 783290399 /nfs/dbraw/zinc/29/03/99/783290399.db2.gz MUSRZXBVGQVYBS-AWEZNQCLSA-N 0 3 300.406 2.293 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2OC)C[C@@H]1C ZINC000948005940 783291553 /nfs/dbraw/zinc/29/15/53/783291553.db2.gz AROHHFIVWBEFKF-RDJZCZTQSA-N 0 3 314.429 2.230 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(NC(C)=O)c2)C[C@H]1C ZINC000948027510 783296618 /nfs/dbraw/zinc/29/66/18/783296618.db2.gz XSTFQAAKUGMGEM-DYVFJYSZSA-N 0 3 315.417 2.414 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncnc1 ZINC001089633506 783301812 /nfs/dbraw/zinc/30/18/12/783301812.db2.gz JBXCCKFESQYYDW-OAHLLOKOSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1C ZINC000948073389 783311706 /nfs/dbraw/zinc/31/17/06/783311706.db2.gz KATPOFXIDLCUAU-MYNMMXSPSA-N 0 3 300.446 2.271 20 30 DEEDHN CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089763347 783415670 /nfs/dbraw/zinc/41/56/70/783415670.db2.gz KGJVWHMAIRFTRH-HPBDAGMYSA-N 0 3 324.424 2.198 20 30 DEEDHN CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089763347 783415677 /nfs/dbraw/zinc/41/56/77/783415677.db2.gz KGJVWHMAIRFTRH-HPBDAGMYSA-N 0 3 324.424 2.198 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccnn2C(F)F)CC1 ZINC000948404739 783455956 /nfs/dbraw/zinc/45/59/56/783455956.db2.gz LAMDPLMPPDIEKT-ZDUSSCGKSA-N 0 3 324.375 2.228 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1OC ZINC001212347168 783505345 /nfs/dbraw/zinc/50/53/45/783505345.db2.gz YCHJEYWBRSHEQQ-GVDBMIGSSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000966233381 783605705 /nfs/dbraw/zinc/60/57/05/783605705.db2.gz LVOXTHXUOCQWGZ-GUYCJALGSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC000966324481 783636527 /nfs/dbraw/zinc/63/65/27/783636527.db2.gz JNPOQNZUKXTIDA-YPMHNXCESA-N 0 3 310.829 2.090 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC000966392841 783651147 /nfs/dbraw/zinc/65/11/47/783651147.db2.gz XISLNYMKWNFZBB-NVXWUHKLSA-N 0 3 316.449 2.003 20 30 DEEDHN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966749730 783747579 /nfs/dbraw/zinc/74/75/79/783747579.db2.gz GEOUMWNIWCUFMP-JQWIXIFHSA-N 0 3 310.829 2.252 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001085593556 783859425 /nfs/dbraw/zinc/85/94/25/783859425.db2.gz LZJKZMUZUXVKLF-INIZCTEOSA-N 0 3 302.422 2.331 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC000967031312 783862704 /nfs/dbraw/zinc/86/27/04/783862704.db2.gz KOORVMLXSLCPFE-YOEHRIQHSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000967125805 783890919 /nfs/dbraw/zinc/89/09/19/783890919.db2.gz WQCNFEZYQWACDU-ZBFHGGJFSA-N 0 3 316.449 2.102 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085625693 783899805 /nfs/dbraw/zinc/89/98/05/783899805.db2.gz WWHYOTXDQNBQSB-AWEZNQCLSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC000967233939 783910080 /nfs/dbraw/zinc/91/00/80/783910080.db2.gz YPTCLCAAXFXMIY-WMLDXEAASA-N 0 3 311.429 2.423 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2oc(=O)[nH]c21 ZINC001085727448 784010800 /nfs/dbraw/zinc/01/08/00/784010800.db2.gz XNRYHYYBRCBTSF-LBPRGKRZSA-N 0 3 315.373 2.256 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2oc(=O)[nH]c21 ZINC001085727447 784012283 /nfs/dbraw/zinc/01/22/83/784012283.db2.gz XNRYHYYBRCBTSF-GFCCVEGCSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001085857747 784145230 /nfs/dbraw/zinc/14/52/30/784145230.db2.gz GQQJWFUILXRAII-MRXNPFEDSA-N 0 3 314.433 2.467 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000967942711 784182297 /nfs/dbraw/zinc/18/22/97/784182297.db2.gz DZXSUFCYGOPVBX-ZYHUDNBSSA-N 0 3 309.772 2.329 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001085918519 784211444 /nfs/dbraw/zinc/21/14/44/784211444.db2.gz FXFZCOKICAJKLU-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001085953851 784253376 /nfs/dbraw/zinc/25/33/76/784253376.db2.gz LUZDXYIRCNHUQL-OAHLLOKOSA-N 0 3 314.433 2.385 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C(C)C ZINC001085969099 784267940 /nfs/dbraw/zinc/26/79/40/784267940.db2.gz VDKBHQUYIBRFOQ-CQSZACIVSA-N 0 3 304.438 2.266 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986900 784283747 /nfs/dbraw/zinc/28/37/47/784283747.db2.gz PBPOYDBCSZSLIN-QGZVFWFLSA-N 0 3 315.461 2.471 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968325674 784289866 /nfs/dbraw/zinc/28/98/66/784289866.db2.gz AWPFRSRBRYYRRB-GOEBONIOSA-N 0 3 301.434 2.051 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000968354064 784316596 /nfs/dbraw/zinc/31/65/96/784316596.db2.gz MNFCVUZSWDBLRL-HNAYVOBHSA-N 0 3 310.441 2.251 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)C(C)(C)N(C)CC)[C@@H](C)C1 ZINC001074033660 791022882 /nfs/dbraw/zinc/02/28/82/791022882.db2.gz PCNCMPVJOAAXMQ-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000968517279 784440513 /nfs/dbraw/zinc/44/05/13/784440513.db2.gz KIMFATPGLTXFSO-KDOFPFPSSA-N 0 3 313.445 2.357 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(COC)cc2)C1 ZINC000968634855 784513723 /nfs/dbraw/zinc/51/37/23/784513723.db2.gz BCOVSGGDEQUKRL-YJBOKZPZSA-N 0 3 314.429 2.297 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001066462515 784528075 /nfs/dbraw/zinc/52/80/75/784528075.db2.gz HPGWGBCHPYJDBH-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)c2ccccn2)C1 ZINC001086289488 784549070 /nfs/dbraw/zinc/54/90/70/784549070.db2.gz VHXPKWHRJXQEBQ-HAQNSBGRSA-N 0 3 324.222 2.088 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968719218 784556574 /nfs/dbraw/zinc/55/65/74/784556574.db2.gz MSVALQXJBMHRKY-OAGGEKHMSA-N 0 3 320.458 2.420 20 30 DEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ncoc1CC ZINC000968793622 784594206 /nfs/dbraw/zinc/59/42/06/784594206.db2.gz JGEAKMPYBZYRQN-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC000968794994 784595741 /nfs/dbraw/zinc/59/57/41/784595741.db2.gz AQWWOQNJTBTILS-CQSZACIVSA-N 0 3 324.856 2.198 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001086353529 784614005 /nfs/dbraw/zinc/61/40/05/784614005.db2.gz QCLGIJTYOLZWRR-MGPQQGTHSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(C3CCC3)c2)C1 ZINC001086365494 784624235 /nfs/dbraw/zinc/62/42/35/784624235.db2.gz SGRVSWQRUMSCMT-MQMHXKEQSA-N 0 3 322.840 2.459 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)nnc1C ZINC000968871824 784631084 /nfs/dbraw/zinc/63/10/84/784631084.db2.gz ZJJWGXJDMKXANS-OAHLLOKOSA-N 0 3 302.422 2.254 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1onc(C)c1C ZINC000968906939 784645662 /nfs/dbraw/zinc/64/56/62/784645662.db2.gz MEIUQILWXHSMKD-HNNXBMFYSA-N 0 3 303.406 2.289 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC000969066687 784712992 /nfs/dbraw/zinc/71/29/92/784712992.db2.gz BCASJOFWWMSOFK-MRXNPFEDSA-N 0 3 324.428 2.332 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC000969093835 784723644 /nfs/dbraw/zinc/72/36/44/784723644.db2.gz ZUPHHWRCPOYBDR-OAHLLOKOSA-N 0 3 319.453 2.410 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cnc(OC)nc1 ZINC000969100562 784726848 /nfs/dbraw/zinc/72/68/48/784726848.db2.gz BDGDNNQOAMDDLX-HNNXBMFYSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)nc(OC)c2)C1 ZINC001086457595 784747943 /nfs/dbraw/zinc/74/79/43/784747943.db2.gz HFUGSKBWHMZADN-MQMHXKEQSA-N 0 3 323.824 2.249 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC001086494359 784790434 /nfs/dbraw/zinc/79/04/34/784790434.db2.gz BHVQSLIZZYNDDN-AULYBMBSSA-N 0 3 320.824 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001086515754 784821576 /nfs/dbraw/zinc/82/15/76/784821576.db2.gz RNFIWIBCYGXFTG-XUXIUFHCSA-N 0 3 300.830 2.038 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001156177174 784847955 /nfs/dbraw/zinc/84/79/55/784847955.db2.gz RHYNPQSBYFBQGC-LLVKDONJSA-N 0 3 313.323 2.174 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001007338823 784893570 /nfs/dbraw/zinc/89/35/70/784893570.db2.gz UJQOBNXTRYCQGO-CQSZACIVSA-N 0 3 304.438 2.379 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007439946 784919627 /nfs/dbraw/zinc/91/96/27/784919627.db2.gz GMBJCRIKSVKDFP-HNNXBMFYSA-N 0 3 319.474 2.027 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001007923547 785049900 /nfs/dbraw/zinc/04/99/00/785049900.db2.gz ZSAICARZIUHFHG-SJORKVTESA-N 0 3 318.461 2.330 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001007964927 785061171 /nfs/dbraw/zinc/06/11/71/785061171.db2.gz ZKEAKGLPUAKAMZ-ZDUSSCGKSA-N 0 3 307.394 2.234 20 30 DEEDHN C=CCc1ccnc(-n2ccc([C@H](C)N)n2)c1C(OC)OC ZINC001169229133 785096812 /nfs/dbraw/zinc/09/68/12/785096812.db2.gz FLKQWCOUYZSGQL-NSHDSACASA-N 0 3 302.378 2.307 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001008279156 785160106 /nfs/dbraw/zinc/16/01/06/785160106.db2.gz QQYIFNUIKUOTHA-DLBZAZTESA-N 0 3 311.429 2.105 20 30 DEEDHN CCOC(=O)[C@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2)CO1 ZINC001169414864 785178838 /nfs/dbraw/zinc/17/88/38/785178838.db2.gz BTNDOYBEHYPVSH-HZPDHXFCSA-N 0 3 302.374 2.101 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(CC)ncnc2CC)C1 ZINC001008567622 785241022 /nfs/dbraw/zinc/24/10/22/785241022.db2.gz CKFOHEZXODHMAO-AWEZNQCLSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2csc3cncn32)C1 ZINC001008726236 785287735 /nfs/dbraw/zinc/28/77/35/785287735.db2.gz IRSUSVNPEOIMPO-LBPRGKRZSA-N 0 3 304.419 2.166 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001008776000 785300850 /nfs/dbraw/zinc/30/08/50/785300850.db2.gz KSMIDFWBJRGLPI-CQSZACIVSA-N 0 3 315.417 2.128 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](CCC)OC)C[C@H](C)O2 ZINC001111547142 785472260 /nfs/dbraw/zinc/47/22/60/785472260.db2.gz JGTOSSOGPVBDTB-JKSUJKDBSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@@H](C)O ZINC001109597120 785950386 /nfs/dbraw/zinc/95/03/86/785950386.db2.gz AJFHKYHGDSGVDR-WCVJEAGWSA-N 0 3 308.466 2.471 20 30 DEEDHN Cc1nscc1C(=O)NCCCNCc1ccccc1C#N ZINC001156822912 785972475 /nfs/dbraw/zinc/97/24/75/785972475.db2.gz LFNQMDBNZYNVQS-UHFFFAOYSA-N 0 3 314.414 2.233 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001086531488 785975902 /nfs/dbraw/zinc/97/59/02/785975902.db2.gz BHROMYAEVPHLNY-MQMHXKEQSA-N 0 3 310.829 2.315 20 30 DEEDHN CN1CCC[C@@H]2CN(c3nc(Cl)c(C#N)cc3C#N)C[C@H]21 ZINC001157264305 786217642 /nfs/dbraw/zinc/21/76/42/786217642.db2.gz FAGDGZBRLLNKQJ-ZWNOBZJWSA-N 0 3 301.781 2.009 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2cc(OC)no2)CC1 ZINC001112894661 786280613 /nfs/dbraw/zinc/28/06/13/786280613.db2.gz IXTRPVWSSORDRR-AWEZNQCLSA-N 0 3 321.421 2.115 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C2=COCCO2)CCCCC1 ZINC001115393344 786371858 /nfs/dbraw/zinc/37/18/58/786371858.db2.gz UMZCMEOWPQDDTL-UHFFFAOYSA-N 0 3 314.813 2.036 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC(=C)C)C[C@H]2O)CCCC1 ZINC001100145594 786373340 /nfs/dbraw/zinc/37/33/40/786373340.db2.gz NFXXJLCBCORWRY-HZPDHXFCSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001113254952 786484257 /nfs/dbraw/zinc/48/42/57/786484257.db2.gz VLQILGLCSYJGDH-HNNXBMFYSA-N 0 3 317.433 2.219 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001113387870 786559183 /nfs/dbraw/zinc/55/91/83/786559183.db2.gz UUFREOPEEBFALM-HZPDHXFCSA-N 0 3 304.438 2.333 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001014679501 786699009 /nfs/dbraw/zinc/69/90/09/786699009.db2.gz AOPHHYNLTNDNQL-CQSZACIVSA-N 0 3 302.422 2.161 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC001113651264 786742753 /nfs/dbraw/zinc/74/27/53/786742753.db2.gz SHXQSKQZYKCXKI-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001014833392 786769435 /nfs/dbraw/zinc/76/94/35/786769435.db2.gz SOAXPLYJGBTOTN-QGZVFWFLSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN([C@H](C)COC)C2)cc1 ZINC001014983025 786840301 /nfs/dbraw/zinc/84/03/01/786840301.db2.gz ZZWXOILWLWGXPW-GDBMZVCRSA-N 0 3 318.417 2.090 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1cc(Cl)ccc1F ZINC001157705175 786875108 /nfs/dbraw/zinc/87/51/08/786875108.db2.gz OMRCTRBDHYDYDG-UHFFFAOYSA-N 0 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789863609 /nfs/dbraw/zinc/86/36/09/789863609.db2.gz PKMYICYTRASCQG-HZPDHXFCSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3ccncc3n2)CC[C@@H]1C ZINC001071689761 789866877 /nfs/dbraw/zinc/86/68/77/789866877.db2.gz PNVBENICABHLGF-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)CC[C@@H]1C ZINC001071693590 789870676 /nfs/dbraw/zinc/87/06/76/789870676.db2.gz SSTVXGWUBZBBER-WFASDCNBSA-N 0 3 303.406 2.118 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ncccc2F)CC[C@@H]1C ZINC001071766073 789909603 /nfs/dbraw/zinc/90/96/03/789909603.db2.gz PMZANZXBVKPYGG-UONOGXRCSA-N 0 3 305.397 2.308 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2noc3c2CCCC3)CC[C@@H]1C ZINC001071844675 789940020 /nfs/dbraw/zinc/94/00/20/789940020.db2.gz QOGNPHXTOJXABT-KBPBESRZSA-N 0 3 315.417 2.159 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(C(C)C)n2)CC[C@@H]1C ZINC001071866090 789949748 /nfs/dbraw/zinc/94/97/48/789949748.db2.gz RNBOMSRSDSXHMF-LSDHHAIUSA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3cccnn32)CC[C@H]1C ZINC001071876435 789954693 /nfs/dbraw/zinc/95/46/93/789954693.db2.gz NBIJFSKOKANPIM-CABCVRRESA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)CC[C@H]1C ZINC001071983112 789997493 /nfs/dbraw/zinc/99/74/93/789997493.db2.gz WMMPDBPJZZHMKY-KGLIPLIRSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cn2cc3ccccc3n2)CC[C@@H]1C ZINC001071990604 790000921 /nfs/dbraw/zinc/00/09/21/790000921.db2.gz BDZXEOOSDNNCJN-DOTOQJQBSA-N 0 3 324.428 2.029 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2CC3(C2)CCOCC3)CC[C@H]1C ZINC001071990352 790001115 /nfs/dbraw/zinc/00/11/15/790001115.db2.gz YMTIVQXMYWLKKR-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)CC[C@H]1C ZINC001072064540 790038356 /nfs/dbraw/zinc/03/83/56/790038356.db2.gz ZXPDFJAAVNOFJU-CJNGLKHVSA-N 0 3 301.434 2.248 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CN2CCc3ccccc32)CC[C@H]1C ZINC001072076606 790042984 /nfs/dbraw/zinc/04/29/84/790042984.db2.gz 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792006281 /nfs/dbraw/zinc/00/62/81/792006281.db2.gz LMUWGSQIPORNHE-KSSFIOAISA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001099000576 792027254 /nfs/dbraw/zinc/02/72/54/792027254.db2.gz MHPRBSBHQPRULA-KSSFIOAISA-N 0 3 318.367 2.111 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccncc2Cl)C1 ZINC001099029824 792049013 /nfs/dbraw/zinc/04/90/13/792049013.db2.gz NZLNZYNXRXWPSV-YOEHRIQHSA-N 0 3 319.836 2.434 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)nc(C)n2)C1 ZINC001099076490 792077905 /nfs/dbraw/zinc/07/79/05/792077905.db2.gz DMRKGBXHMDENIV-YJBOKZPZSA-N 0 3 314.433 2.254 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cn1nc(C)cc1C ZINC001099136229 792110503 /nfs/dbraw/zinc/11/05/03/792110503.db2.gz XOBOSXIDGPTMAH-INIZCTEOSA-N 0 3 318.465 2.293 20 30 DEEDHN CN(CC(=O)NC[C@@H]1CCC(C)(C)CN1CC#N)CC(C)(C)C ZINC001099239125 792147593 /nfs/dbraw/zinc/14/75/93/792147593.db2.gz AHZGWGVQYGJUHL-HNNXBMFYSA-N 0 3 322.497 2.095 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)COc1cccnc1 ZINC001099275509 792158172 /nfs/dbraw/zinc/15/81/72/792158172.db2.gz FQKMXRFBRBMSGA-HNNXBMFYSA-N 0 3 317.433 2.253 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1C(F)(F)F ZINC001099293436 792164154 /nfs/dbraw/zinc/16/41/54/792164154.db2.gz MNXDNEXALDSGDW-VXGBXAGGSA-N 0 3 302.296 2.367 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C(F)(F)F ZINC001099299309 792165971 /nfs/dbraw/zinc/16/59/71/792165971.db2.gz FINXEBMVYKHWPH-CHWSQXEVSA-N 0 3 313.323 2.169 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1C(F)(F)F ZINC001099308118 792166709 /nfs/dbraw/zinc/16/67/09/792166709.db2.gz UQTVJNNHFRRGGE-IVZWLZJFSA-N 0 3 314.298 2.443 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2scnc2C(C)C)[C@H](C)C1 ZINC001093032449 792214137 /nfs/dbraw/zinc/21/41/37/792214137.db2.gz MMTRMQRPBZQDEH-CHWSQXEVSA-N 0 3 305.447 2.197 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(CF)CC2)CC1 ZINC001093378066 792350356 /nfs/dbraw/zinc/35/03/56/792350356.db2.gz JLAMLWBKQQCCJF-MRXNPFEDSA-N 0 3 318.436 2.462 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099785251 792359391 /nfs/dbraw/zinc/35/93/91/792359391.db2.gz CPWGTNIGPKLOHH-QZTJIDSGSA-N 0 3 318.461 2.232 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H](O)C1 ZINC001099925608 792404842 /nfs/dbraw/zinc/40/48/42/792404842.db2.gz HDRSBHMAVCHLKQ-QWHCGFSZSA-N 0 3 318.408 2.185 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)CCCCC)[C@@H](O)C1 ZINC001100119175 792477790 /nfs/dbraw/zinc/47/77/90/792477790.db2.gz FUZDAEMHFJCTOU-CVEARBPZSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCC2CCCCCC2)[C@H](O)C1 ZINC001099926619 792483927 /nfs/dbraw/zinc/48/39/27/792483927.db2.gz PTONWLZMKMTBOD-ZWKOTPCHSA-N 0 3 320.477 2.312 20 30 DEEDHN C=CCOCCCC(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100217373 792522657 /nfs/dbraw/zinc/52/26/57/792522657.db2.gz LRTCIJOGJWWILF-UHFFFAOYSA-N 0 3 300.830 2.206 20 30 DEEDHN C=C(C)CC[NH2+]C1CC(CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001100353052 792606634 /nfs/dbraw/zinc/60/66/34/792606634.db2.gz FMNNLTKUDMOLPS-UHFFFAOYSA-N 0 3 313.405 2.022 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(N[C@H](C)c2cnccn2)C1 ZINC001100373169 792618482 /nfs/dbraw/zinc/61/84/82/792618482.db2.gz ZIGVJNQINGCDKK-WLYUNCDWSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001100526533 792706499 /nfs/dbraw/zinc/70/64/99/792706499.db2.gz ZHIQNYZZZJTHPB-UHFFFAOYSA-N 0 3 324.856 2.243 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H](F)CC)C1 ZINC001100580177 792730413 /nfs/dbraw/zinc/73/04/13/792730413.db2.gz FKSNRYPVHPPELC-ILDUYXDCSA-N 0 3 307.207 2.128 20 30 DEEDHN C=CCCCC(=O)NCC1CC(N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001100623157 792755176 /nfs/dbraw/zinc/75/51/76/792755176.db2.gz AHVWLCCTQSGRQV-HSBZDZAISA-N 0 3 319.453 2.269 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3snnc3C)C2)C1 ZINC001100661412 792774203 /nfs/dbraw/zinc/77/42/03/792774203.db2.gz SEZDDCSRDCDDPJ-UHFFFAOYSA-N 0 3 320.462 2.187 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cccc4[nH]cnc43)CCC[C@@H]12 ZINC001094543338 792971719 /nfs/dbraw/zinc/97/17/19/792971719.db2.gz FLKUIQFFMHDVRT-VQIMIIECSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ncoc3C3CC3)CCC[C@@H]12 ZINC001094555659 793000378 /nfs/dbraw/zinc/00/03/78/793000378.db2.gz MZXOCSNFAQMFDW-RDTXWAMCSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3coc(CCC)n3)CCC[C@@H]12 ZINC001094559556 793001006 /nfs/dbraw/zinc/00/10/06/793001006.db2.gz YHIBUZKOFRAQKE-CRAIPNDOSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CC[C@H](N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171731445 793186339 /nfs/dbraw/zinc/18/63/39/793186339.db2.gz BDXKKUDMOMOVSP-XIRDDKMYSA-N 0 3 302.418 2.357 20 30 DEEDHN C=CCC[C@@H](C)N1CC2(C1)C[C@@H](NC(=O)C(C)C)c1nccn12 ZINC001101607155 793267053 /nfs/dbraw/zinc/26/70/53/793267053.db2.gz HXOXDEVUNMLHPO-HUUCEWRRSA-N 0 3 316.449 2.466 20 30 DEEDHN CSCC(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001101704087 793329536 /nfs/dbraw/zinc/32/95/36/793329536.db2.gz PPZRNRILRJBSGO-VXGBXAGGSA-N 0 3 323.487 2.167 20 30 DEEDHN C[C@@H](CCCC#N)N1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001172510264 793441261 /nfs/dbraw/zinc/44/12/61/793441261.db2.gz YOQRIUFZAYDLBS-GOEBONIOSA-N 0 3 300.406 2.358 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)c2cc(C)cs2)[C@H](C)C1 ZINC001101937268 793449178 /nfs/dbraw/zinc/44/91/78/793449178.db2.gz YILIOUYRNLDXGD-HUUCEWRRSA-N 0 3 320.458 2.004 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001101951357 793457288 /nfs/dbraw/zinc/45/72/88/793457288.db2.gz MBTSPYJJYWFBQH-YLJYHZDGSA-N 0 3 320.436 2.136 20 30 DEEDHN CO[C@H]1CCCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172978778 793550332 /nfs/dbraw/zinc/55/03/32/793550332.db2.gz AOXZORAAMVXPNP-ILXRZTDVSA-N 0 3 323.437 2.389 20 30 DEEDHN CCN(CC)CC(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001095039078 793604589 /nfs/dbraw/zinc/60/45/89/793604589.db2.gz UNVWFIMOELPCME-CYBMUJFWSA-N 0 3 318.396 2.052 20 30 DEEDHN COc1cccc2c1C[C@H](N1CCC3SC(=O)C=C3C1)CO2 ZINC001173155482 793609824 /nfs/dbraw/zinc/60/98/24/793609824.db2.gz UISAZVYRVLMUTL-BLLLJJGKSA-N 0 3 317.410 2.273 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)COC(C)C)C1 ZINC001102745162 793734726 /nfs/dbraw/zinc/73/47/26/793734726.db2.gz DIGQOTHZRZVANT-TZMCWYRMSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCO2)C1 ZINC001102864313 793795894 /nfs/dbraw/zinc/79/58/94/793795894.db2.gz DLMISKGGHHMOKX-BPLDGKMQSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(C)ncn2)C1 ZINC001102874296 793799770 /nfs/dbraw/zinc/79/97/70/793799770.db2.gz ZYARDZXJQSLGKA-BXUZGUMPSA-N 0 3 322.840 2.225 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001174849186 794085015 /nfs/dbraw/zinc/08/50/15/794085015.db2.gz KRPIWIWFMIYNRJ-CABCVRRESA-N 0 3 321.469 2.182 20 30 DEEDHN C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001110184620 794180092 /nfs/dbraw/zinc/18/00/92/794180092.db2.gz PVHDDSFLJRRRPF-WCVJEAGWSA-N 0 3 312.429 2.439 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001103768932 794217683 /nfs/dbraw/zinc/21/76/83/794217683.db2.gz HNIDZLJYHGNHHT-VHDGCEQUSA-N 0 3 314.857 2.404 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C ZINC001104107926 794382056 /nfs/dbraw/zinc/38/20/56/794382056.db2.gz VLYOLAUDXMCJHW-IUODEOHRSA-N 0 3 312.841 2.160 20 30 DEEDHN Cc1ncc(CNCC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)o1 ZINC001104164777 794404943 /nfs/dbraw/zinc/40/49/43/794404943.db2.gz DDQQECVBVJNVBR-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001111789175 794481810 /nfs/dbraw/zinc/48/18/10/794481810.db2.gz BLZJZYWOYAFWCX-LZWOXQAQSA-N 0 3 313.873 2.050 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001176816205 794505511 /nfs/dbraw/zinc/50/55/11/794505511.db2.gz YXDJTQYHCYXMMP-HIFRSBDPSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C(F)(F)F ZINC001112080516 794555792 /nfs/dbraw/zinc/55/57/92/794555792.db2.gz MGKGYCIUMNARLR-CHWSQXEVSA-N 0 3 300.324 2.099 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](OCC)C(C)C)C[C@H]1C(F)(F)F ZINC001112099706 794559764 /nfs/dbraw/zinc/55/97/64/794559764.db2.gz GSLLBZNMFARQAN-JHJVBQTASA-N 0 3 322.371 2.212 20 30 DEEDHN C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001112260108 794582625 /nfs/dbraw/zinc/58/26/25/794582625.db2.gz VSBIDKDXEIFQPG-KSSFIOAISA-N 0 3 300.402 2.410 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CCCOC(C)C ZINC001177393444 794658829 /nfs/dbraw/zinc/65/88/29/794658829.db2.gz PRQFLROHGCDEDO-UHFFFAOYSA-N 0 3 321.259 2.196 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1Cc1ccco1 ZINC001177625435 794713986 /nfs/dbraw/zinc/71/39/86/794713986.db2.gz DYJWCJVJPIQUPE-RDJZCZTQSA-N 0 3 317.433 2.011 20 30 DEEDHN C#CC[C@@H](CC(=O)N[C@@H]1[C@H]2CN(CC=C)C[C@H]21)c1ccccc1 ZINC001115355904 794743573 /nfs/dbraw/zinc/74/35/73/794743573.db2.gz AFFJYCXPRURJNL-PNYFIKQUSA-N 0 3 308.425 2.416 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)Cn2cc(C)cn2)CCCCC1 ZINC001115433097 794769709 /nfs/dbraw/zinc/76/97/09/794769709.db2.gz ZZTLXLKCWYWFAI-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN CC(=O)c1nn(C)cc1NC(=O)C(C#N)Cc1cccs1 ZINC001177905167 794772682 /nfs/dbraw/zinc/77/26/82/794772682.db2.gz WOYZZZAFYACMGB-SNVBAGLBSA-N 0 3 302.359 2.005 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)Nc1cnn2c1OCCC2 ZINC001177909833 794774844 /nfs/dbraw/zinc/77/48/44/794774844.db2.gz ZOWQTGWYDKGCEN-SNVBAGLBSA-N 0 3 302.359 2.048 20 30 DEEDHN Cc1oncc1CNC1(CNC(=O)[C@H](C)C#N)CCCCC1 ZINC001115453060 794778630 /nfs/dbraw/zinc/77/86/30/794778630.db2.gz GITCLCZEWWBGBJ-GFCCVEGCSA-N 0 3 304.394 2.051 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cncnc2)CCCCC1 ZINC001115497901 794798941 /nfs/dbraw/zinc/79/89/41/794798941.db2.gz YUTOAQOAJXCVFH-UHFFFAOYSA-N 0 3 308.813 2.251 20 30 DEEDHN COc1nscc1CNCCCCCCNC(=O)[C@@H](C)C#N ZINC001178054015 794808633 /nfs/dbraw/zinc/80/86/33/794808633.db2.gz YHQAEKVXQYGYIQ-LBPRGKRZSA-N 0 3 324.450 2.078 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1cccn1C ZINC001178125013 794848686 /nfs/dbraw/zinc/84/86/86/794848686.db2.gz VZKLJARMPIMKAT-WMZOPIPTSA-N 0 3 321.424 2.269 20 30 DEEDHN CCCOCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178271851 794880957 /nfs/dbraw/zinc/88/09/57/794880957.db2.gz RHBAZJNQRLHQFW-WMZOPIPTSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2ccccn2)[C@@H]1C ZINC001178278879 794881698 /nfs/dbraw/zinc/88/16/98/794881698.db2.gz OTIYEAKWVCRXOR-ZOBUZTSGSA-N 0 3 317.433 2.142 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCCCCCNCc1ocnc1C ZINC001178334866 794889800 /nfs/dbraw/zinc/88/98/00/794889800.db2.gz KOKVALYWIOJXBI-KRWDZBQOSA-N 0 3 323.437 2.076 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)[C@H]1CC1(F)F ZINC001178632230 794961756 /nfs/dbraw/zinc/96/17/56/794961756.db2.gz KMQCVBIPFJEQMC-IMJJTQAJSA-N 0 3 318.367 2.272 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](N[C@H](C)c2n[nH]c(CC)n2)[C@@H]1C ZINC001179464238 795120216 /nfs/dbraw/zinc/12/02/16/795120216.db2.gz XJVAOSYWAAZVJH-RDBSUJKOSA-N 0 3 319.453 2.363 20 30 DEEDHN C=C[C@H](COC)NC[C@H](O)COc1ccccc1C(F)(F)F ZINC001118156722 795160136 /nfs/dbraw/zinc/16/01/36/795160136.db2.gz ZBORGXXDNCJZFA-NEPJUHHUSA-N 0 3 319.323 2.236 20 30 DEEDHN C#CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC001118187297 795163163 /nfs/dbraw/zinc/16/31/63/795163163.db2.gz NYEZAOJVJLXKSQ-ZWKOTPCHSA-N 0 3 311.429 2.487 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001179986595 795214364 /nfs/dbraw/zinc/21/43/64/795214364.db2.gz AXIVXWFSABJAJQ-KKUMJFAQSA-N 0 3 311.470 2.190 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001180260330 795266558 /nfs/dbraw/zinc/26/65/58/795266558.db2.gz FCMUUXCIYCSHNY-RYUDHWBXSA-N 0 3 321.248 2.477 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001180268898 795267455 /nfs/dbraw/zinc/26/74/55/795267455.db2.gz JAQYSFYCVHRGSX-YDHLFZDLSA-N 0 3 323.462 2.122 20 30 DEEDHN N#Cc1cccnc1NCCNCc1nccc2c1CCCC2 ZINC001119674211 795337759 /nfs/dbraw/zinc/33/77/59/795337759.db2.gz ACNASPMXSIMIBA-UHFFFAOYSA-N 0 3 307.401 2.429 20 30 DEEDHN CN(CC(=O)NCCCOc1ccccc1C#N)C1CCCC1 ZINC001180630662 795348112 /nfs/dbraw/zinc/34/81/12/795348112.db2.gz OOSZRBGPVRGUGQ-UHFFFAOYSA-N 0 3 315.417 2.318 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001119755199 795350004 /nfs/dbraw/zinc/35/00/04/795350004.db2.gz OODBNSKHYLDPPM-CQSZACIVSA-N 0 3 319.380 2.396 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cnc(C)s2)C1 ZINC001181468628 795477907 /nfs/dbraw/zinc/47/79/07/795477907.db2.gz CQFZWNGHZJZTMG-GXTWGEPZSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC001181512019 795482614 /nfs/dbraw/zinc/48/26/14/795482614.db2.gz XONCUYUXBHOMKP-MRXNPFEDSA-N 0 3 313.401 2.224 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC001121852473 795695327 /nfs/dbraw/zinc/69/53/27/795695327.db2.gz XQQJSOKHDLFKBW-OAHLLOKOSA-N 0 3 303.406 2.447 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C(=O)OC)c1ccc(C)cc1 ZINC001121949717 795708205 /nfs/dbraw/zinc/70/82/05/795708205.db2.gz BGHBEMMFDMIJEX-HZPDHXFCSA-N 0 3 318.417 2.051 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC001122042226 795720517 /nfs/dbraw/zinc/72/05/17/795720517.db2.gz DZQGGCIQAHJKTI-KBPBESRZSA-N 0 3 322.478 2.032 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CCc1ccc2c(c1)OCO2 ZINC001122137416 795729795 /nfs/dbraw/zinc/72/97/95/795729795.db2.gz POESSJSKHVLSMB-AWEZNQCLSA-N 0 3 304.390 2.100 20 30 DEEDHN Cc1csc(C[C@H]2CCN(C(=O)[C@H](N)CCCCC#N)C2)n1 ZINC001122250852 795739502 /nfs/dbraw/zinc/73/95/02/795739502.db2.gz WGDIGQIWONZDBO-ZIAGYGMSSA-N 0 3 320.462 2.254 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC001122256484 795740172 /nfs/dbraw/zinc/74/01/72/795740172.db2.gz SNVPJNGGTAZHCY-NSHDSACASA-N 0 3 320.418 2.440 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1cccc2oc(C)nc21 ZINC001122272676 795742153 /nfs/dbraw/zinc/74/21/53/795742153.db2.gz PNROEMKHAPZOCY-AWEZNQCLSA-N 0 3 301.390 2.479 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCC(=O)NC(CC)CC)C1 ZINC001182894493 795776849 /nfs/dbraw/zinc/77/68/49/795776849.db2.gz YMFJTZWAWXJWHH-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN N#C[C@@H]1CC[C@@H](OC(=O)C2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001122639883 795789228 /nfs/dbraw/zinc/78/92/28/795789228.db2.gz PGNJBRLQACUVRF-KCPJHIHWSA-N 0 3 316.332 2.414 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1nc2ncccc2cc1C#N ZINC001183027539 795792558 /nfs/dbraw/zinc/79/25/58/795792558.db2.gz RCSFQYHOEQXUHE-UHFFFAOYSA-N 0 3 307.357 2.092 20 30 DEEDHN C=C(CN1CCCC1)C(=O)Nc1c(Cl)nccc1C(=O)OC ZINC001183038706 795793881 /nfs/dbraw/zinc/79/38/81/795793881.db2.gz GFDGFICLMQTKFW-UHFFFAOYSA-N 0 3 323.780 2.112 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cccc(F)c2)s1 ZINC001122883920 795814092 /nfs/dbraw/zinc/81/40/92/795814092.db2.gz UQRJSSDFLNPEEP-UHFFFAOYSA-N 0 3 303.362 2.278 20 30 DEEDHN C=C(CC)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001123566289 795934815 /nfs/dbraw/zinc/93/48/15/795934815.db2.gz OWKGKAJYFFBEHL-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2cc(C)no2)[C@H](C)C1 ZINC001184297186 796028946 /nfs/dbraw/zinc/02/89/46/796028946.db2.gz DWQUYMSBLIKRIF-ZBFHGGJFSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001184321873 796041024 /nfs/dbraw/zinc/04/10/24/796041024.db2.gz XIZBUXUWJSQXRT-WBVHZDCISA-N 0 3 300.377 2.069 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)C=C1CCCCC1 ZINC001124384387 796062992 /nfs/dbraw/zinc/06/29/92/796062992.db2.gz OVPNUWWODHVKMF-UHFFFAOYSA-N 0 3 321.465 2.007 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001184508730 796081678 /nfs/dbraw/zinc/08/16/78/796081678.db2.gz KWWKTOIKCREKDO-CYBMUJFWSA-N 0 3 315.417 2.017 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)C1 ZINC001184815289 796132234 /nfs/dbraw/zinc/13/22/34/796132234.db2.gz QMBZFPDBCKDILP-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N[C@H](C)CCC)C1 ZINC001184815451 796132252 /nfs/dbraw/zinc/13/22/52/796132252.db2.gz XTYXMAMUBXXQAN-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CCC[C@H](OC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001184825092 796134315 /nfs/dbraw/zinc/13/43/15/796134315.db2.gz CPTYWSYUDDSURP-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN C#CCOc1ccc(CN2CCC[C@@H](CCO)C2)cc1OC ZINC001138349151 796203487 /nfs/dbraw/zinc/20/34/87/796203487.db2.gz SJTPUGIKVUIRPI-HNNXBMFYSA-N 0 3 303.402 2.302 20 30 DEEDHN C=CCc1cccc(CN2CCN(c3cncnc3)CC2)c1O ZINC001138629548 796247323 /nfs/dbraw/zinc/24/73/23/796247323.db2.gz COGMDVACOWTYIO-UHFFFAOYSA-N 0 3 310.401 2.233 20 30 DEEDHN CCSc1ncc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001138652479 796251842 /nfs/dbraw/zinc/25/18/42/796251842.db2.gz UGYJPXPFCFSUHV-GFCCVEGCSA-N 0 3 307.444 2.363 20 30 DEEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCC(=O)OCC)C1 ZINC001139135443 796332181 /nfs/dbraw/zinc/33/21/81/796332181.db2.gz BHANOVICQQMBLL-OAHLLOKOSA-N 0 3 301.386 2.474 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001186200992 796371625 /nfs/dbraw/zinc/37/16/25/796371625.db2.gz UUSNVFPTHLEIIR-BPQIPLTHSA-N 0 3 312.413 2.013 20 30 DEEDHN O=C1C=C2CN(Cc3cn4c(cccc4F)n3)CCC2S1 ZINC001139568258 796396771 /nfs/dbraw/zinc/39/67/71/796396771.db2.gz LCMAVOXXCLCKHH-GFCCVEGCSA-N 0 3 303.362 2.248 20 30 DEEDHN CC(=O)N(C)C1CCN(Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139706473 796413778 /nfs/dbraw/zinc/41/37/78/796413778.db2.gz VIRDQZSTXGASKI-UHFFFAOYSA-N 0 3 310.401 2.482 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001186974904 796468482 /nfs/dbraw/zinc/46/84/82/796468482.db2.gz FIEKOBPMHLFYCX-LLPBQKLSSA-N 0 3 321.808 2.203 20 30 DEEDHN CC[C@@H](CC(=O)N1CC[C@@H](NCC#CCOC)C1)C(C)(C)C ZINC001187027196 796473187 /nfs/dbraw/zinc/47/31/87/796473187.db2.gz DHSCFNOVSXMLDB-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001187420617 796534565 /nfs/dbraw/zinc/53/45/65/796534565.db2.gz OZJIVXFKWDYYFF-DXWDOBMASA-N 0 3 302.805 2.153 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001187500942 796544078 /nfs/dbraw/zinc/54/40/78/796544078.db2.gz MTNFCRHQUSCTDN-ZBFHGGJFSA-N 0 3 302.805 2.194 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CC[C@H]2CN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001187857067 796590274 /nfs/dbraw/zinc/59/02/74/796590274.db2.gz HDUVJVOOCVKOEH-YESZJQIVSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCCc3ncc(C)o3)[C@@H]2C1 ZINC001188182227 796637150 /nfs/dbraw/zinc/63/71/50/796637150.db2.gz WSFAQZMGHYYIOZ-LSDHHAIUSA-N 0 3 303.406 2.024 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2csc(CC(C)C)n2)C1 ZINC001188354294 796666142 /nfs/dbraw/zinc/66/61/42/796666142.db2.gz QNFDDNJACHOFIG-CYBMUJFWSA-N 0 3 305.447 2.169 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cnc(C)nc1)CC2 ZINC001203111439 796674424 /nfs/dbraw/zinc/67/44/24/796674424.db2.gz CSMJJYXCMZAOSJ-SFHVURJKSA-N 0 3 314.433 2.318 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)CC(F)F)[C@@H]2C1 ZINC001188602241 796687916 /nfs/dbraw/zinc/68/79/16/796687916.db2.gz GYYCTWMYQBDIMI-MELADBBJSA-N 0 3 316.392 2.013 20 30 DEEDHN N#C[C@H]1CCCN(C(=O)C2CCN(Cc3ccncc3)CC2)C1 ZINC001142343715 796737012 /nfs/dbraw/zinc/73/70/12/796737012.db2.gz KTWDMSIJWROJQS-MRXNPFEDSA-N 0 3 312.417 2.056 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C1 ZINC001189151993 796775702 /nfs/dbraw/zinc/77/57/02/796775702.db2.gz XFKUERNDYARAQH-HZSPNIEDSA-N 0 3 316.392 2.013 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccc3nonc3c2)C1 ZINC001189318457 796807581 /nfs/dbraw/zinc/80/75/81/796807581.db2.gz MEOUFLHFMRAFCF-CQSZACIVSA-N 0 3 314.389 2.222 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001189369184 796812470 /nfs/dbraw/zinc/81/24/70/796812470.db2.gz AIVWNDMPRJGMPO-MRXNPFEDSA-N 0 3 306.381 2.061 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2(C3CCC3)CCC2)C1 ZINC001150052836 796916739 /nfs/dbraw/zinc/91/67/39/796916739.db2.gz BGQQNYWBUCSADA-KRWDZBQOSA-N 0 3 318.461 2.187 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150159577 796923642 /nfs/dbraw/zinc/92/36/42/796923642.db2.gz KPIOBCVSMVLWNQ-HUUCEWRRSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150247177 796930707 /nfs/dbraw/zinc/93/07/07/796930707.db2.gz NAAOWFYRXINNEV-ZBFHGGJFSA-N 0 3 300.418 2.155 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001150751986 796975337 /nfs/dbraw/zinc/97/53/37/796975337.db2.gz KLWDBCDKMFUCBS-IEBWSBKVSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ccc(C)o2)CC1 ZINC001150942970 796993764 /nfs/dbraw/zinc/99/37/64/796993764.db2.gz DIHQRTWAQFMLDV-UHFFFAOYSA-N 0 3 306.406 2.375 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cnc(C)s2)CC1 ZINC001151007395 797000326 /nfs/dbraw/zinc/00/03/26/797000326.db2.gz LNKOUIMAEUJDCR-UHFFFAOYSA-N 0 3 323.462 2.238 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)C1CC1 ZINC001151454072 797049302 /nfs/dbraw/zinc/04/93/02/797049302.db2.gz LJTBYVHMZDIICC-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCC1(S(=O)(=O)N[C@H]2CCN(C(CC)CC)C2)CC1 ZINC001190835979 797089113 /nfs/dbraw/zinc/08/91/13/797089113.db2.gz IFCPKZWZHKQWJU-ZDUSSCGKSA-N 0 3 300.468 2.277 20 30 DEEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)CSC ZINC001151792637 797096224 /nfs/dbraw/zinc/09/62/24/797096224.db2.gz PIHLADGFKTXZGB-GFCCVEGCSA-N 0 3 323.437 2.387 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)CC(F)F)C1 ZINC001191407228 797195070 /nfs/dbraw/zinc/19/50/70/797195070.db2.gz MLROSQJBIJQGAB-CHWSQXEVSA-N 0 3 304.381 2.013 20 30 DEEDHN Cc1nsc(C)c1C(=O)NCCNCc1cccc(C#N)c1 ZINC001152716237 797226093 /nfs/dbraw/zinc/22/60/93/797226093.db2.gz GLQBOFXLIPZPIV-UHFFFAOYSA-N 0 3 314.414 2.151 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](N(C)CCOCC(C)C)C1 ZINC001191859625 797267693 /nfs/dbraw/zinc/26/76/93/797267693.db2.gz OKMYGHXGSGDBCF-KRWDZBQOSA-N 0 3 308.466 2.385 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001191938425 797288694 /nfs/dbraw/zinc/28/86/94/797288694.db2.gz IPUVSRXGQHZFGT-CYBMUJFWSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001153134469 797290514 /nfs/dbraw/zinc/29/05/14/797290514.db2.gz CWCSYKKWKOSQEH-LLVKDONJSA-N 0 3 314.788 2.276 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(C2CCC2)c1 ZINC001153355147 797327789 /nfs/dbraw/zinc/32/77/89/797327789.db2.gz XIEBFJLEQGZMJL-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1O ZINC001192320887 797361529 /nfs/dbraw/zinc/36/15/29/797361529.db2.gz NKLIGRAAXCIKOD-KIUVSXKZSA-N 0 3 306.450 2.088 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cncc(Cl)c2)C1 ZINC001192838061 797460254 /nfs/dbraw/zinc/46/02/54/797460254.db2.gz VSZDIGHVUQNBMI-HNNXBMFYSA-N 0 3 323.824 2.084 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1ccc(OCC)cc1 ZINC001154116567 797466760 /nfs/dbraw/zinc/46/67/60/797466760.db2.gz QSFAGRNUHCUQEX-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001193269737 797536354 /nfs/dbraw/zinc/53/63/54/797536354.db2.gz ZSZXBNJQABGHJN-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1ccsc1 ZINC001154467919 797540425 /nfs/dbraw/zinc/54/04/25/797540425.db2.gz TUWBSBXMMLFRHG-UHFFFAOYSA-N 0 3 303.225 2.366 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001154492214 797545001 /nfs/dbraw/zinc/54/50/01/797545001.db2.gz HLAKPRIIVSHNMI-IAGOWNOFSA-N 0 3 316.445 2.360 20 30 DEEDHN CC(C)(C)OC(=O)C(C#N)c1nccnc1NCC(C)(F)F ZINC001154860106 797627297 /nfs/dbraw/zinc/62/72/97/797627297.db2.gz DKGYUMBLVKZKSE-SECBINFHSA-N 0 3 312.320 2.493 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001194119531 797678058 /nfs/dbraw/zinc/67/80/58/797678058.db2.gz XETCELKCGMCXHR-VZDIDWBNSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001194128510 797679260 /nfs/dbraw/zinc/67/92/60/797679260.db2.gz WCBIOKWXUPFDDO-HZPDHXFCSA-N 0 3 319.449 2.153 20 30 DEEDHN CSc1nc(-c2ccccc2)nc(-n2nccc2CN)c1C#N ZINC001155125093 797689552 /nfs/dbraw/zinc/68/95/52/797689552.db2.gz SAKKMSHKXIROAY-UHFFFAOYSA-N 0 3 322.397 2.382 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001195173943 797850720 /nfs/dbraw/zinc/85/07/20/797850720.db2.gz HDKVDCHUBSIUIU-GJZGRUSLSA-N 0 3 300.418 2.250 20 30 DEEDHN N#Cc1c(Cl)ccnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155824446 797856874 /nfs/dbraw/zinc/85/68/74/797856874.db2.gz QCWAAPUMVXYJIU-DZGCQCFKSA-N 0 3 306.797 2.320 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)c(C)c1 ZINC001155830337 797859783 /nfs/dbraw/zinc/85/97/83/797859783.db2.gz YNTMNXBSOGFZQS-OAHLLOKOSA-N 0 3 302.418 2.467 20 30 DEEDHN CN(C)CC1(NC(=O)C(=O)/C=C/c2ccc(F)cc2)CCC1 ZINC001155908581 797879699 /nfs/dbraw/zinc/87/96/99/797879699.db2.gz KAFMTFCIWWPAGZ-RMKNXTFCSA-N 0 3 304.365 2.009 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1(CC)CCCC1 ZINC001156119321 797928346 /nfs/dbraw/zinc/92/83/46/797928346.db2.gz ACZYPSWIWWLSHH-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001196053995 797997153 /nfs/dbraw/zinc/99/71/53/797997153.db2.gz NKOFNWHQBACTTF-CHWSQXEVSA-N 0 3 320.424 2.409 20 30 DEEDHN C#CCC1(C(=O)N2CCCN(CC[C@H](C)F)CC2)CCOCC1 ZINC001196106923 798006717 /nfs/dbraw/zinc/00/67/17/798006717.db2.gz ATHIVODJQPQZFB-INIZCTEOSA-N 0 3 324.440 2.089 20 30 DEEDHN N#Cc1ncc(Cl)nc1-n1cncc1CNCc1ccccc1 ZINC001156482489 798012695 /nfs/dbraw/zinc/01/26/95/798012695.db2.gz NYPURXFLOUTSAS-UHFFFAOYSA-N 0 3 324.775 2.477 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)OCCc1ccccc1 ZINC001156669725 798057568 /nfs/dbraw/zinc/05/75/68/798057568.db2.gz RYHCQCLZAXGGAQ-IAGOWNOFSA-N 0 3 316.445 2.094 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001196483205 798062073 /nfs/dbraw/zinc/06/20/73/798062073.db2.gz ZASNEGBYRDPHHH-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001157203627 798161983 /nfs/dbraw/zinc/16/19/83/798161983.db2.gz XYCYMHHMZAODJG-PBHICJAKSA-N 0 3 320.408 2.363 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(OC(C)C)c1 ZINC001157223987 798165750 /nfs/dbraw/zinc/16/57/50/798165750.db2.gz KISZGUYREUWUMA-MRXNPFEDSA-N 0 3 316.445 2.476 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC001197435515 798189706 /nfs/dbraw/zinc/18/97/06/798189706.db2.gz IUXLUGDYWJJGSW-UHFFFAOYSA-N 0 3 302.422 2.208 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001197477859 798193476 /nfs/dbraw/zinc/19/34/76/798193476.db2.gz CRUFYRSTEGZVDO-BRWVUGGUSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2ncccn2)CC1 ZINC001197519423 798198593 /nfs/dbraw/zinc/19/85/93/798198593.db2.gz LRMLDJWPFYPLMP-UHFFFAOYSA-N 0 3 302.422 2.371 20 30 DEEDHN CCc1[nH]ccc1C(=O)NCCCNCc1ccccc1C#N ZINC001157426032 798203368 /nfs/dbraw/zinc/20/33/68/798203368.db2.gz FIUSNUKEAOWUFN-UHFFFAOYSA-N 0 3 310.401 2.358 20 30 DEEDHN CN1CC2(C1)CCN(C(=S)Nc1cccc(C#N)c1)CC2 ZINC001197703532 798228490 /nfs/dbraw/zinc/22/84/90/798228490.db2.gz UWAMJVZOJJPZSS-UHFFFAOYSA-N 0 3 300.431 2.283 20 30 DEEDHN CC(C)C#CC(=O)NCCCNCc1cc(O)ccc1Cl ZINC001157638775 798247513 /nfs/dbraw/zinc/24/75/13/798247513.db2.gz NSQQJRYSBXJTDK-UHFFFAOYSA-N 0 3 308.809 2.301 20 30 DEEDHN CC(C)(C)C#CC(=O)NCCCNCc1ccncc1Cl ZINC001157719239 798265901 /nfs/dbraw/zinc/26/59/01/798265901.db2.gz UINGVZVJZRDSSX-UHFFFAOYSA-N 0 3 307.825 2.380 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCCN(CC[C@@H]2CCCCO2)CC1 ZINC001198344663 798320514 /nfs/dbraw/zinc/32/05/14/798320514.db2.gz VSDBIFAEKFILSQ-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCN[C@H](CNC(=O)CSC)c1ccccc1OC ZINC001198515733 798353326 /nfs/dbraw/zinc/35/33/26/798353326.db2.gz PGPKHIOPWZOYRF-CQSZACIVSA-N 0 3 308.447 2.381 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001158257451 798368663 /nfs/dbraw/zinc/36/86/63/798368663.db2.gz VCZIMRIIGNGYCW-CABCVRRESA-N 0 3 323.824 2.008 20 30 DEEDHN C[C@@H](N)c1ccn(-c2nc(C#N)ccc2NC(=O)C(C)(C)C)n1 ZINC001158351103 798390468 /nfs/dbraw/zinc/39/04/68/798390468.db2.gz UDYDTFNUEVCNSU-SNVBAGLBSA-N 0 3 312.377 2.143 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1CN(CCCC)C[C@H]1O)c1ccccc1 ZINC001198881507 798412902 /nfs/dbraw/zinc/41/29/02/798412902.db2.gz ZJKWGUBLUVONNF-KZNAEPCWSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001199211072 798452037 /nfs/dbraw/zinc/45/20/37/798452037.db2.gz RYMZYCBSQSYHOU-BZUAXINKSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1cccc(OC)n1 ZINC001158747083 798462497 /nfs/dbraw/zinc/46/24/97/798462497.db2.gz UDXRSNZYHDGLJF-UHFFFAOYSA-N 0 3 317.433 2.455 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001158844725 798477291 /nfs/dbraw/zinc/47/72/91/798477291.db2.gz LEANXNJDFPLUKP-UHFFFAOYSA-N 0 3 324.856 2.204 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCc1c(C)n[nH]c1C ZINC001158847309 798477695 /nfs/dbraw/zinc/47/76/95/798477695.db2.gz OHKQWGSSMISZQP-MRXNPFEDSA-N 0 3 318.465 2.458 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001158894995 798485189 /nfs/dbraw/zinc/48/51/89/798485189.db2.gz YCUPMTRNJGYIQR-GOEBONIOSA-N 0 3 316.449 2.014 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC(NCc2conc2C)CC1 ZINC001199666865 798516819 /nfs/dbraw/zinc/51/68/19/798516819.db2.gz CNHHXDKDKWSREZ-AWEZNQCLSA-N 0 3 321.421 2.045 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CCC2CCCC2)CCCO1 ZINC001199743808 798531048 /nfs/dbraw/zinc/53/10/48/798531048.db2.gz HSOYNANMMDLEAW-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCCCC(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001200155754 798588942 /nfs/dbraw/zinc/58/89/42/798588942.db2.gz JXGAOLVCQPLKSP-UHFFFAOYSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2c(C)noc2CC)CCC1 ZINC001159644168 798591727 /nfs/dbraw/zinc/59/17/27/798591727.db2.gz ISQWJXVONMERDF-UHFFFAOYSA-N 0 3 317.433 2.335 20 30 DEEDHN C#CCCCCC(=O)N1CCCO[C@@H](CNC[C@H](F)CC)C1 ZINC001200320819 798614537 /nfs/dbraw/zinc/61/45/37/798614537.db2.gz BPIGPTOKKKVMAD-CVEARBPZSA-N 0 3 312.429 2.135 20 30 DEEDHN Cc1cnc(NC(=S)NCCN2CCCCC2)c(C#N)c1 ZINC001200417416 798624863 /nfs/dbraw/zinc/62/48/63/798624863.db2.gz ABBHNFWAXJFOGA-UHFFFAOYSA-N 0 3 303.435 2.034 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2sc(C)cc2C)CCCO1 ZINC001200614075 798655106 /nfs/dbraw/zinc/65/51/06/798655106.db2.gz MGOADNWNHWKKBX-OAHLLOKOSA-N 0 3 320.458 2.209 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@H]1n1cccn1 ZINC001160180062 798659039 /nfs/dbraw/zinc/65/90/39/798659039.db2.gz XLQPBIAJEGQVDF-LSDHHAIUSA-N 0 3 324.856 2.463 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccn(CC(C)C)n2)CC1 ZINC001160264438 798668971 /nfs/dbraw/zinc/66/89/71/798668971.db2.gz PEVIYGAFPZESON-UHFFFAOYSA-N 0 3 316.449 2.477 20 30 DEEDHN N#Cc1cc(Cl)cc(-n2nc(-c3ccncc3)cc2CN)n1 ZINC001160338305 798677037 /nfs/dbraw/zinc/67/70/37/798677037.db2.gz VSAGJVPIDGNXOM-UHFFFAOYSA-N 0 3 310.748 2.313 20 30 DEEDHN Cc1cc(C#N)c(-n2nc(-c3ccncc3)cc2CN)nc1C ZINC001160337430 798677459 /nfs/dbraw/zinc/67/74/59/798677459.db2.gz CEXSSLJOBQZUPC-UHFFFAOYSA-N 0 3 304.357 2.277 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC001200823261 798683447 /nfs/dbraw/zinc/68/34/47/798683447.db2.gz GAWFDHLLDFLSAD-UHFFFAOYSA-N 0 3 316.449 2.266 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2CCCCCCC2)CCCO1 ZINC001200937388 798694634 /nfs/dbraw/zinc/69/46/34/798694634.db2.gz IBVSOKGGMJVWEU-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C2(CC(C)C)CCC2)CCCO1 ZINC001200945846 798700970 /nfs/dbraw/zinc/70/09/70/798700970.db2.gz QQULZRIBWFMOMQ-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(OCC)no2)CC1 ZINC001160689397 798722921 /nfs/dbraw/zinc/72/29/21/798722921.db2.gz WXPQTIMMSGYMMG-UHFFFAOYSA-N 0 3 305.378 2.011 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2occc2C(C)C)CCCO1 ZINC001201238680 798724054 /nfs/dbraw/zinc/72/40/54/798724054.db2.gz BLBFDDINLWPMLV-HNNXBMFYSA-N 0 3 318.417 2.247 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2occc2C(C)C)CCCO1 ZINC001201238686 798724087 /nfs/dbraw/zinc/72/40/87/798724087.db2.gz BLBFDDINLWPMLV-OAHLLOKOSA-N 0 3 318.417 2.247 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCO[C@H](CNC/C=C/Cl)C2)C1 ZINC001201365729 798742612 /nfs/dbraw/zinc/74/26/12/798742612.db2.gz HIBOHCCOZXXCLK-LYKUJDHUSA-N 0 3 312.841 2.302 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)C(F)(F)F)CC1 ZINC001160903121 798759548 /nfs/dbraw/zinc/75/95/48/798759548.db2.gz DECCKSJOMUVYBQ-LBPRGKRZSA-N 0 3 302.340 2.347 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](CC)CC2CCCC2)CCCO1 ZINC001201548488 798768595 /nfs/dbraw/zinc/76/85/95/798768595.db2.gz XWQRGAMNSWBPTA-MSOLQXFVSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCc3cccnc32)CC1 ZINC001161028667 798782701 /nfs/dbraw/zinc/78/27/01/798782701.db2.gz IGIYQSOSHXNWRO-SFHVURJKSA-N 0 3 323.440 2.273 20 30 DEEDHN CCCCCCCN1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001201762321 798796159 /nfs/dbraw/zinc/79/61/59/798796159.db2.gz FZEJVHFYZWIQDC-CVEARBPZSA-N 0 3 304.438 2.336 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](CC)CC(C)C)CCCO1 ZINC001201808376 798799932 /nfs/dbraw/zinc/79/99/32/798799932.db2.gz CLWQCKWCXIYVRG-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C[C@H](C)CC(C)C)CCCO1 ZINC001201849043 798803900 /nfs/dbraw/zinc/80/39/00/798803900.db2.gz SJWKPTJAPXQHES-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C[C@@H](C)c2ccco2)CCCO1 ZINC001201872281 798806466 /nfs/dbraw/zinc/80/64/66/798806466.db2.gz NGYFBIQBGCQDII-HZPDHXFCSA-N 0 3 318.417 2.004 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@H](CC)CC2)CCCO1 ZINC001201907879 798809538 /nfs/dbraw/zinc/80/95/38/798809538.db2.gz DDDFSNGTXGWWBJ-ULQDDVLXSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(C)cc2C)CCCO1 ZINC001201974319 798816034 /nfs/dbraw/zinc/81/60/34/798816034.db2.gz CGNJCORFZYNKQV-KRWDZBQOSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC001161301266 798823253 /nfs/dbraw/zinc/82/32/53/798823253.db2.gz PNHHQTJVMFIALE-UHFFFAOYSA-N 0 3 324.384 2.055 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cn(CC)nc2C)CC1 ZINC001161356142 798835010 /nfs/dbraw/zinc/83/50/10/798835010.db2.gz CJMVFGSTZKMJFH-UHFFFAOYSA-N 0 3 302.422 2.149 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C2(CC)CCOCC2)CC1 ZINC001161590103 798892698 /nfs/dbraw/zinc/89/26/98/798892698.db2.gz CXELKBXRPNERGH-UHFFFAOYSA-N 0 3 318.461 2.355 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ccc3nccn3c2)CC1 ZINC001161679256 798909747 /nfs/dbraw/zinc/90/97/47/798909747.db2.gz VQGLCGCLRVSCGL-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)OCC ZINC001110616976 798922897 /nfs/dbraw/zinc/92/28/97/798922897.db2.gz XRWSRKDLDQPLDT-LVQVYYBASA-N 0 3 312.429 2.439 20 30 DEEDHN C=C(Cl)CN1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161942356 798974002 /nfs/dbraw/zinc/97/40/02/798974002.db2.gz RNUAOEXGJXPCNU-UHFFFAOYSA-N 0 3 313.873 2.218 20 30 DEEDHN CC(C)(C)C(=O)Nc1ccc(CN)nc1NC1(C#N)CCC1 ZINC001162310174 799058101 /nfs/dbraw/zinc/05/81/01/799058101.db2.gz BOQXETPESJTXRD-UHFFFAOYSA-N 0 3 301.394 2.383 20 30 DEEDHN CCOC(=O)c1cc(C)nc(N[C@@]2(C)CCCN(C)C2)c1C#N ZINC001162341367 799066287 /nfs/dbraw/zinc/06/62/87/799066287.db2.gz LOTLWKZAFUFKRJ-KRWDZBQOSA-N 0 3 316.405 2.335 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCC2(C)C)(COC)CC1 ZINC001162419505 799083345 /nfs/dbraw/zinc/08/33/45/799083345.db2.gz RZYJGYWQDDOXGF-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2CCC=CCC2)(COC)CC1 ZINC001162608547 799128947 /nfs/dbraw/zinc/12/89/47/799128947.db2.gz PEVZAFJTFQZTLS-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H](CC)OCC ZINC001162732338 799161103 /nfs/dbraw/zinc/16/11/03/799161103.db2.gz DVBYWYWAWOTZPO-SFHVURJKSA-N 0 3 316.445 2.096 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001162763322 799168155 /nfs/dbraw/zinc/16/81/55/799168155.db2.gz PLCJSPCYSRUXKR-GFCCVEGCSA-N 0 3 308.809 2.472 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cc(C)c(Cl)cn1 ZINC001154008560 799190895 /nfs/dbraw/zinc/19/08/95/799190895.db2.gz AIFRZDGWOPBXAZ-CQSZACIVSA-N 0 3 321.852 2.436 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H](F)C1 ZINC001162897875 799198910 /nfs/dbraw/zinc/19/89/10/799198910.db2.gz NHFWOAQSLHMRBZ-MSOLQXFVSA-N 0 3 316.420 2.419 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1OCCc2ccccc21 ZINC001163723585 799416961 /nfs/dbraw/zinc/41/69/61/799416961.db2.gz VHRNCBUKYCPXSB-HNNXBMFYSA-N 0 3 308.809 2.149 20 30 DEEDHN CCC[C@@H](OC)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001163838576 799444359 /nfs/dbraw/zinc/44/43/59/799444359.db2.gz QOPMRVPMLGRFSW-MRXNPFEDSA-N 0 3 321.396 2.108 20 30 DEEDHN N#Cc1cc(C(F)(F)n2cnc3c2CNCC3)cnc1Cl ZINC001164313309 799568354 /nfs/dbraw/zinc/56/83/54/799568354.db2.gz FPWANBGFSDTXGC-UHFFFAOYSA-N 0 3 309.707 2.046 20 30 DEEDHN Cc1ncoc1CNCC1(CCNC(=O)C#CC(C)C)CC1 ZINC001164464567 799603216 /nfs/dbraw/zinc/60/32/16/799603216.db2.gz ZTFUVNLWLRFIQH-UHFFFAOYSA-N 0 3 303.406 2.019 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(C)ccn31)C2 ZINC001095456344 799607717 /nfs/dbraw/zinc/60/77/17/799607717.db2.gz QGUWKSVMPVKIKF-PMPSAXMXSA-N 0 3 322.412 2.001 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)C2 ZINC001095673785 799691382 /nfs/dbraw/zinc/69/13/82/799691382.db2.gz LXSIZFDCNMTORZ-IPYPFGDCSA-N 0 3 314.433 2.066 20 30 DEEDHN C=CCCCC(=O)NCCC[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001165530303 799741612 /nfs/dbraw/zinc/74/16/12/799741612.db2.gz FJOKZRBZQFFCTP-UHFFFAOYSA-N 0 3 318.421 2.012 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CC1)C2 ZINC001110930361 799777305 /nfs/dbraw/zinc/77/73/05/799777305.db2.gz CKIGULDUUMDQJX-ZACQAIPSSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C1CCC(C(=O)NCCCN[C@H](C)c2cnccn2)CC1 ZINC001165907041 799792907 /nfs/dbraw/zinc/79/29/07/799792907.db2.gz QLDQINNEAMFUIK-CQSZACIVSA-N 0 3 302.422 2.380 20 30 DEEDHN C=CCCC1(C(=O)NCCCNCc2nccn2CC)CC1 ZINC001165913627 799793700 /nfs/dbraw/zinc/79/37/00/799793700.db2.gz FRXVOWITOSCZLV-UHFFFAOYSA-N 0 3 304.438 2.245 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001167016514 800008091 /nfs/dbraw/zinc/00/80/91/800008091.db2.gz YJRHBWSNVOHJMZ-UKRRQHHQSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1ccncc1)CC2 ZINC001204076919 800170062 /nfs/dbraw/zinc/17/00/62/800170062.db2.gz AXLCWMMVQYKEOK-UHFFFAOYSA-N 0 3 301.390 2.302 20 30 DEEDHN C=CCOc1ccc(CN2CCC(=O)N3CCC[C@H]3C2)cc1 ZINC001204302163 800203085 /nfs/dbraw/zinc/20/30/85/800203085.db2.gz DUUBJMBKOGERHX-INIZCTEOSA-N 0 3 300.402 2.448 20 30 DEEDHN CCOC(=O)C1([C@@H](C)NCc2ccccc2C#N)CCOCC1 ZINC000933884258 800204818 /nfs/dbraw/zinc/20/48/18/800204818.db2.gz PZAFARADRKGENH-CQSZACIVSA-N 0 3 316.401 2.396 20 30 DEEDHN C=CCCC(=O)N1CCC(CN[C@H](C)c2cnccn2)CC1 ZINC001204753840 800253573 /nfs/dbraw/zinc/25/35/73/800253573.db2.gz QUQFZFUPIUOUNW-CQSZACIVSA-N 0 3 302.422 2.332 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001205815951 800425955 /nfs/dbraw/zinc/42/59/55/800425955.db2.gz VOKOWMHMPFHBSC-NVXWUHKLSA-N 0 3 302.418 2.248 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205989926 800454584 /nfs/dbraw/zinc/45/45/84/800454584.db2.gz YPISCIYWOCLYON-CYBMUJFWSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC001206773988 800586598 /nfs/dbraw/zinc/58/65/98/800586598.db2.gz HOJGAKOVQCQGSV-IUODEOHRSA-N 0 3 308.447 2.309 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccnc(C)n1)C2 ZINC001207163492 800700552 /nfs/dbraw/zinc/70/05/52/800700552.db2.gz FLXULJXNHCZGOD-QZTJIDSGSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(C[C@@H]3CCCCO3)C[C@H]2C)CCC1 ZINC001207521898 800771334 /nfs/dbraw/zinc/77/13/34/800771334.db2.gz MDIDMUYMRIEAEL-IXDOHACOSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](NCC(=O)NCCC(C)(C)C)C1 ZINC001207635967 800795820 /nfs/dbraw/zinc/79/58/20/800795820.db2.gz PAOGQRHWDVSBMY-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN O=C(Cc1ccoc1)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207883520 800855093 /nfs/dbraw/zinc/85/50/93/800855093.db2.gz JGAZQMLAFZIGLN-IBGZPJMESA-N 0 3 322.408 2.454 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208388117 800973401 /nfs/dbraw/zinc/97/34/01/800973401.db2.gz HLCMISPDAITXER-ZMSDIMECSA-N 0 3 318.465 2.001 20 30 DEEDHN COCCCN1CCN(CCCc2cccc(C#N)c2)CC1 ZINC001208853469 801079980 /nfs/dbraw/zinc/07/99/80/801079980.db2.gz MZGFUFXFHQCDAT-UHFFFAOYSA-N 0 3 301.434 2.145 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001209182718 801143769 /nfs/dbraw/zinc/14/37/69/801143769.db2.gz HTISGYGGKPXKCM-GDBMZVCRSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001209346896 801173307 /nfs/dbraw/zinc/17/33/07/801173307.db2.gz WLYXRKYVOZWPKK-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC1(C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)CC1 ZINC001209465979 801197166 /nfs/dbraw/zinc/19/71/66/801197166.db2.gz XLCDRERSTCFZOX-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1c[nH]nc1C)C2 ZINC001209553759 801215547 /nfs/dbraw/zinc/21/55/47/801215547.db2.gz MCOLUEIHUSZISI-IRXDYDNUSA-N 0 3 305.422 2.292 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H](F)c2ccccc2)CC1 ZINC001229362670 801263943 /nfs/dbraw/zinc/26/39/43/801263943.db2.gz BRLGPLZTPDJIKG-QGZVFWFLSA-N 0 3 320.408 2.480 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001209876390 801301027 /nfs/dbraw/zinc/30/10/27/801301027.db2.gz ZZMMVXUCARPYGG-INIZCTEOSA-N 0 3 316.449 2.468 20 30 DEEDHN C#Cc1cnc2nc(O[C@@H]3CCN(C)C3)n(C(CC)CC)c2n1 ZINC001229762326 801314465 /nfs/dbraw/zinc/31/44/65/801314465.db2.gz ZESQIFHCGFVRTJ-CQSZACIVSA-N 0 3 313.405 2.252 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001211438101 801566065 /nfs/dbraw/zinc/56/60/65/801566065.db2.gz DOWORTZFBAZQRU-HDMKZQKVSA-N 0 3 316.420 2.464 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC ZINC001213260354 801585990 /nfs/dbraw/zinc/58/59/90/801585990.db2.gz FRXNFEUYZTUVIH-BFHYXJOUSA-N 0 3 300.418 2.152 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccccc2)[C@H](OC)C1 ZINC001213774776 801641806 /nfs/dbraw/zinc/64/18/06/801641806.db2.gz JXCQXUQBWIAXRG-IAGOWNOFSA-N 0 3 302.418 2.011 20 30 DEEDHN CC/C=C/CCN1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001231407408 801658695 /nfs/dbraw/zinc/65/86/95/801658695.db2.gz JNTPIGMINILALX-RGDDUWESSA-N 0 3 300.406 2.389 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@H](NCc2cccnc2)C1 ZINC001214404730 801711786 /nfs/dbraw/zinc/71/17/86/801711786.db2.gz OMEPMUIAIGBAHZ-NVXWUHKLSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001215379547 801850717 /nfs/dbraw/zinc/85/07/17/801850717.db2.gz RJHZQGHRNVZSIU-JJRVBVJISA-N 0 3 316.449 2.324 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(N)nc1)C2 ZINC001232366720 801862923 /nfs/dbraw/zinc/86/29/23/801862923.db2.gz YEICWBYDGCBVPC-GOSISDBHSA-N 0 3 314.433 2.197 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cnc(C)[nH]1)C2 ZINC001232459022 801886948 /nfs/dbraw/zinc/88/69/48/801886948.db2.gz FJAUYILSGLQDAY-QGZVFWFLSA-N 0 3 302.422 2.251 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CC3CC3)[C@H]2C1 ZINC001217175140 802049628 /nfs/dbraw/zinc/04/96/28/802049628.db2.gz AKCQIFQJALKHHO-DLBZAZTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3cc[nH]c3CC)[C@H]2C1 ZINC001217771058 802112509 /nfs/dbraw/zinc/11/25/09/802112509.db2.gz UYUSOSDLDIWZMK-DLBZAZTESA-N 0 3 317.433 2.069 20 30 DEEDHN C#C[C@H](COc1cccc(Cl)c1)OC[C@@H]1COC(C)(C)N1 ZINC001217928085 802121293 /nfs/dbraw/zinc/12/12/93/802121293.db2.gz NBMJEVRUJNWHQE-ZIAGYGMSSA-N 0 3 309.793 2.462 20 30 DEEDHN CO[C@@H]1CCN(CCOc2ccc3sc(C#N)nc3c2)C1 ZINC001233707509 802187986 /nfs/dbraw/zinc/18/79/86/802187986.db2.gz XXKOPNGDOGEBQF-GFCCVEGCSA-N 0 3 303.387 2.267 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001233707524 802188144 /nfs/dbraw/zinc/18/81/44/802188144.db2.gz URGSVEHIFDUTQN-CABCVRRESA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@H](C=C)CC)[C@H]2C1 ZINC001218517189 802196247 /nfs/dbraw/zinc/19/62/47/802196247.db2.gz JTTHSPDOXYULOU-IXDOHACOSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001218517053 802196318 /nfs/dbraw/zinc/19/63/18/802196318.db2.gz ICWAJLDNVAQXTF-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCO1 ZINC001233760607 802200027 /nfs/dbraw/zinc/20/00/27/802200027.db2.gz BKNJUPCGVWCYER-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN N#Cc1cc2cccnc2nc1NC(=O)[C@@H](N)C1CCCCC1 ZINC001218541524 802202688 /nfs/dbraw/zinc/20/26/88/802202688.db2.gz JHSSONPFDQYWIJ-AWEZNQCLSA-N 0 3 309.373 2.348 20 30 DEEDHN COCCC[NH+]1CCC(Oc2ccc(/C=N/[O-])cc2OC)CC1 ZINC001233806683 802214693 /nfs/dbraw/zinc/21/46/93/802214693.db2.gz FGZXPRBYTHDPDW-QGOAFFKASA-N 0 3 322.405 2.383 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCCC(=O)NC ZINC001233857084 802226223 /nfs/dbraw/zinc/22/62/23/802226223.db2.gz NJOXMNQBDOQLNE-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001233939198 802246616 /nfs/dbraw/zinc/24/66/16/802246616.db2.gz ZCSHYFDTVAIYFB-RHSMWYFYSA-N 0 3 322.474 2.150 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1CC1=CCCCC1 ZINC001233979285 802258525 /nfs/dbraw/zinc/25/85/25/802258525.db2.gz YZMGLIIEHBHIHR-SJLPKXTDSA-N 0 3 306.450 2.347 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)c(O)c1 ZINC001218988681 802270615 /nfs/dbraw/zinc/27/06/15/802270615.db2.gz KJRRWSUNZCVTGE-MWLCHTKSSA-N 0 3 313.279 2.133 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001219102178 802282115 /nfs/dbraw/zinc/28/21/15/802282115.db2.gz VSHWMPWYHQZGLZ-MCIONIFRSA-N 0 3 308.447 2.186 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H](C)c2cc(C)ccc2C)C[C@@H]1O ZINC001219346745 802314305 /nfs/dbraw/zinc/31/43/05/802314305.db2.gz UOUYBFIVKXKOAM-NXHRZFHOSA-N 0 3 316.445 2.492 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H](C)c2cc(C)ccc2C)C[C@@H]1O ZINC001219346744 802315202 /nfs/dbraw/zinc/31/52/02/802315202.db2.gz UOUYBFIVKXKOAM-JQHSSLGASA-N 0 3 316.445 2.492 20 30 DEEDHN CN(C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1)C(=O)C#CC1CC1 ZINC001234187196 802320105 /nfs/dbraw/zinc/32/01/05/802320105.db2.gz VGOARNCWLGOYJK-CABCVRRESA-N 0 3 310.388 2.368 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC2CCC2)[C@@H](O)C1 ZINC001219439103 802329834 /nfs/dbraw/zinc/32/98/34/802329834.db2.gz GUVFEPOBGHTAHH-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](O)C1 ZINC001219550816 802343516 /nfs/dbraw/zinc/34/35/16/802343516.db2.gz JBVKQSFNXFQHRR-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2c(C)coc2C)[C@@H](O)C1 ZINC001219551037 802344403 /nfs/dbraw/zinc/34/44/03/802344403.db2.gz OYKGXBBUNWDJFF-CVEARBPZSA-N 0 3 320.433 2.418 20 30 DEEDHN CN[C@@H](COCc1ccccc1)C(=O)N[C@@H](C#N)c1ccccc1 ZINC001219558545 802345498 /nfs/dbraw/zinc/34/54/98/802345498.db2.gz QMUGQOBAVGMWLL-ROUUACIJSA-N 0 3 323.396 2.172 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001234529414 802404591 /nfs/dbraw/zinc/40/45/91/802404591.db2.gz YNOAWYQMKXOQLI-RDJZCZTQSA-N 0 3 318.465 2.327 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)c2ccco2)[C@@H](O)C1 ZINC001220342752 802446982 /nfs/dbraw/zinc/44/69/82/802446982.db2.gz LWQWCTCVKTXVGE-OAGGEKHMSA-N 0 3 320.433 2.291 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)Cc2cccs2)[C@@H](O)C1 ZINC001220448383 802462291 /nfs/dbraw/zinc/46/22/91/802462291.db2.gz HQJYJGCNKYUKSO-BMFZPTHFSA-N 0 3 322.474 2.054 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2cccn2CC)[C@@H](O)C1 ZINC001220983361 802518187 /nfs/dbraw/zinc/51/81/87/802518187.db2.gz KWPDKKDYPHHHDE-WBVHZDCISA-N 0 3 321.465 2.253 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001221022524 802521052 /nfs/dbraw/zinc/52/10/52/802521052.db2.gz CAANELSYIABNTL-XKQJLSEDSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCC[C@@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O)c1ccccc1 ZINC001221198743 802535187 /nfs/dbraw/zinc/53/51/87/802535187.db2.gz JFRDFUMSIZSXCY-KURKYZTESA-N 0 3 316.445 2.306 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)Cc3ccsc3)[C@@H]2C1 ZINC001221238268 802541921 /nfs/dbraw/zinc/54/19/21/802541921.db2.gz USLMZYSVEGKNHI-HZPDHXFCSA-N 0 3 320.458 2.026 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221535202 802590801 /nfs/dbraw/zinc/59/08/01/802590801.db2.gz RCHQPZVDHHHHHY-NVXWUHKLSA-N 0 3 316.470 2.483 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2CCN(CCOCC=C)C[C@H]21 ZINC001221740510 802608390 /nfs/dbraw/zinc/60/83/90/802608390.db2.gz ZLWIDBCXTUPOFA-QZTJIDSGSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001221790614 802615554 /nfs/dbraw/zinc/61/55/54/802615554.db2.gz RLSGECMMVNCPQC-QZTJIDSGSA-N 0 3 318.461 2.468 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001221790702 802616180 /nfs/dbraw/zinc/61/61/80/802616180.db2.gz WHJNURVTAYZBRP-MNAZLIDISA-N 0 3 324.440 2.250 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)CCOCC1 ZINC001221985654 802632120 /nfs/dbraw/zinc/63/21/20/802632120.db2.gz YPDJPKZCUNDQHX-HZPDHXFCSA-N 0 3 324.440 2.252 20 30 DEEDHN C=CCOCC[NH+]1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001222381955 802676226 /nfs/dbraw/zinc/67/62/26/802676226.db2.gz RZUYLXXDGFPLPS-UHFFFAOYSA-N 0 3 318.417 2.037 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001222641721 802720969 /nfs/dbraw/zinc/72/09/69/802720969.db2.gz RCNFMHXYXFIGRT-CQSZACIVSA-N 0 3 310.401 2.046 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCO[C@@H](C)CC(C)C)CC1 ZINC001223164155 802770171 /nfs/dbraw/zinc/77/01/71/802770171.db2.gz HKXGMJBVIINRNC-INIZCTEOSA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H](OCC)C2=CCCC2)CC1 ZINC001223194332 802772679 /nfs/dbraw/zinc/77/26/79/802772679.db2.gz JJAAKXPDWSRPHC-GOSISDBHSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CCN(Cc2cn(C)nc2C)CC1 ZINC001224051462 802832586 /nfs/dbraw/zinc/83/25/86/802832586.db2.gz YRXADRLUZZSEIW-UHFFFAOYSA-N 0 3 318.465 2.269 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC001224712710 802897046 /nfs/dbraw/zinc/89/70/46/802897046.db2.gz KQWALIUITGUFOS-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC001225103772 802936699 /nfs/dbraw/zinc/93/66/99/802936699.db2.gz XYGLZLQSIWBQEK-ZWKOTPCHSA-N 0 3 320.477 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300.362 2.357 20 30 DEEDHN O=C(C#CC1CC1)NC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC001227290436 803227227 /nfs/dbraw/zinc/22/72/27/803227227.db2.gz WYXAIYVNBYHFFR-UHFFFAOYSA-N 0 3 324.424 2.211 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ncccc2CC)CC1 ZINC001228106551 803319918 /nfs/dbraw/zinc/31/99/18/803319918.db2.gz WOCMLCZQAICZSM-UHFFFAOYSA-N 0 3 317.433 2.041 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)CCC ZINC001228304627 803342174 /nfs/dbraw/zinc/34/21/74/803342174.db2.gz DWXXZQLZIJHWIJ-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1cc2[n-]c(O[C@H](CC#N)C[N+](C)(C)C)nc2cc1[N+](=O)[O-] ZINC001228674231 803391558 /nfs/dbraw/zinc/39/15/58/803391558.db2.gz JHVZILDEWFSZQR-LLVKDONJSA-N 0 3 318.357 2.147 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1OCC ZINC001417809538 1167227713 /nfs/dbraw/zinc/22/77/13/1167227713.db2.gz BVZWYNZTBXNQNO-CHWSQXEVSA-N 0 3 302.846 2.238 20 30 DEEDHN Cc1ncc(CNCCC[C@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001330813298 1149303202 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C#CCN1CCC(C)(CNC(=O)CC(F)(F)C(F)F)CC1 ZINC001500447626 1058793993 /nfs/dbraw/zinc/79/39/93/1058793993.db2.gz WOLAACIPRBWMIX-UHFFFAOYSA-N 0 3 308.319 2.128 20 30 DEEDHN C#C[C@H](N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001462295321 1058794787 /nfs/dbraw/zinc/79/47/87/1058794787.db2.gz KCQJKWAJLCCXKV-KGLIPLIRSA-N 0 3 310.438 2.260 20 30 DEEDHN Cc1ncsc1CN1CCC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001500485439 1058840490 /nfs/dbraw/zinc/84/04/90/1058840490.db2.gz NDIVMUUMBUHWRP-BLLLJJGKSA-N 0 3 320.462 2.330 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001500766839 1059075140 /nfs/dbraw/zinc/07/51/40/1059075140.db2.gz UKFWLRFSYJLKSS-RDTXWAMCSA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H]([C@H](C)NCc2nnc(C(C)C)[nH]2)C1 ZINC001501034270 1059222798 /nfs/dbraw/zinc/22/27/98/1059222798.db2.gz VSNAVOWKWMJCLE-UONOGXRCSA-N 0 3 319.453 2.221 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001501350256 1059462637 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CCC[C@@H](C)C(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001508056061 1063522626 /nfs/dbraw/zinc/52/26/26/1063522626.db2.gz HFNREMKVRZOBAC-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN Cc1nc(C(=O)N(C)C2CC(NCC#Cc3ccccc3)C2)co1 ZINC001508102662 1063557820 /nfs/dbraw/zinc/55/78/20/1063557820.db2.gz NSZLRUZFSUANIQ-UHFFFAOYSA-N 0 3 323.396 2.227 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001508111661 1063561949 /nfs/dbraw/zinc/56/19/49/1063561949.db2.gz RFHJYSVNSUCHCQ-VCANKDNSSA-N 0 3 324.856 2.159 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001327271697 1148509843 /nfs/dbraw/zinc/50/98/43/1148509843.db2.gz SGFWICMXLDGZNU-IPMKNSEASA-N 0 3 310.441 2.376 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001493313786 1063712670 /nfs/dbraw/zinc/71/26/70/1063712670.db2.gz PGCQZKDQDPTDSO-KRWDZBQOSA-N 0 3 302.393 2.317 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(N(C)C)c(F)c1)C1CC1 ZINC001493451508 1063804479 /nfs/dbraw/zinc/80/44/79/1063804479.db2.gz 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C=CC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)CN(CC)CC ZINC001494337416 1064215970 /nfs/dbraw/zinc/21/59/70/1064215970.db2.gz DDRKBXSKHDTUJA-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)/C=C/c1ccc[nH]1 ZINC001567486791 1064221533 /nfs/dbraw/zinc/22/15/33/1064221533.db2.gz CYGUXBIMROZZGR-BQYQJAHWSA-N 0 3 308.385 2.148 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CCNCc1cc(F)ccc1C ZINC001567487718 1064222602 /nfs/dbraw/zinc/22/26/02/1064222602.db2.gz ILVKCMAXIWYLHJ-KRWDZBQOSA-N 0 3 308.397 2.009 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)C1C=CC=CC=C1 ZINC001567503639 1064229200 /nfs/dbraw/zinc/22/92/00/1064229200.db2.gz DGOOQVRPQGBSCN-UHFFFAOYSA-N 0 3 307.397 2.405 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCN[C@H](C)C(=O)N1CCCCCC1 ZINC001567503770 1064229313 /nfs/dbraw/zinc/22/93/13/1064229313.db2.gz JCDBCMLUJPNSNO-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001567558455 1064253972 /nfs/dbraw/zinc/25/39/72/1064253972.db2.gz 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C=CCOCCN1CC[C@@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001494892962 1064554196 /nfs/dbraw/zinc/55/41/96/1064554196.db2.gz HJSGQOSCQPCTDO-CQSZACIVSA-N 0 3 316.392 2.157 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@H](CC)NCC#Cc1ccccc1 ZINC001494950185 1064604946 /nfs/dbraw/zinc/60/49/46/1064604946.db2.gz MBVCYIWETFXAKM-ZWKOTPCHSA-N 0 3 316.445 2.338 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001494969615 1064618579 /nfs/dbraw/zinc/61/85/79/1064618579.db2.gz GJBUMNOCXSXRMI-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)c1ccon1 ZINC001568231899 1064718664 /nfs/dbraw/zinc/71/86/64/1064718664.db2.gz HYQVCUMGXNZBPZ-UHFFFAOYSA-N 0 3 323.396 2.359 20 30 DEEDHN CCOCC(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001568256054 1064731149 /nfs/dbraw/zinc/73/11/49/1064731149.db2.gz FLBLWJGEUFMLJG-CQSZACIVSA-N 0 3 322.836 2.165 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001568280922 1064749504 /nfs/dbraw/zinc/74/95/04/1064749504.db2.gz 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20 30 DEEDHN C=C(C)CCC(=O)NCC1(NC[C@H](O)c2ccc(F)cc2)CC1 ZINC001569401770 1065491088 /nfs/dbraw/zinc/49/10/88/1065491088.db2.gz DSFXEYVKIFSXHD-INIZCTEOSA-N 0 3 320.408 2.454 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC(C)(C)CC ZINC001569534659 1065575135 /nfs/dbraw/zinc/57/51/35/1065575135.db2.gz PJMXAHUXFXJMSI-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC001569577178 1065603871 /nfs/dbraw/zinc/60/38/71/1065603871.db2.gz HUUZWTKMKHXDDW-CQSZACIVSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001569640713 1065642252 /nfs/dbraw/zinc/64/22/52/1065642252.db2.gz HFECTSHAFBCFBW-KRWDZBQOSA-N 0 3 324.371 2.362 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)Cc2ccccc2Cl)C1 ZINC001569761838 1065710323 /nfs/dbraw/zinc/71/03/23/1065710323.db2.gz PLEJZQUQSLDNKR-KRWDZBQOSA-N 0 3 322.836 2.012 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)[C@H](O)C(C)C)c1ccccc1CC ZINC001569800647 1065726789 /nfs/dbraw/zinc/72/67/89/1065726789.db2.gz SGDYGVBGPYIGGG-ZWKOTPCHSA-N 0 3 316.445 2.036 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)n1nc(C)cc1C ZINC001496835900 1065744221 /nfs/dbraw/zinc/74/42/21/1065744221.db2.gz MHRNIFQCVGFSTR-INIZCTEOSA-N 0 3 306.454 2.417 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001496844963 1065752005 /nfs/dbraw/zinc/75/20/05/1065752005.db2.gz LAJRPNCCXGWKQD-QGZVFWFLSA-N 0 3 303.450 2.256 20 30 DEEDHN CC[C@@H](CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@H]2C1)C(C)C ZINC001569881551 1065788792 /nfs/dbraw/zinc/78/87/92/1065788792.db2.gz GERAXNWDFAYPDT-OKZBNKHCSA-N 0 3 320.477 2.099 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC(F)(F)F ZINC001569906422 1065807002 /nfs/dbraw/zinc/80/70/02/1065807002.db2.gz LECISEXACYACHF-STQMWFEESA-N 0 3 302.340 2.418 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cn(C)nc1-c1ccco1 ZINC001626751044 1078261472 /nfs/dbraw/zinc/26/14/72/1078261472.db2.gz QOIGLRBGGZFWQX-UHFFFAOYSA-N 0 3 316.405 2.260 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC001570022149 1065886028 /nfs/dbraw/zinc/88/60/28/1065886028.db2.gz OPTZCMANMSBMAV-GJZGRUSLSA-N 0 3 314.857 2.384 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H]2CCC[C@@H](OC)C2)CCC1 ZINC001570106981 1065926509 /nfs/dbraw/zinc/92/65/09/1065926509.db2.gz PVPCIRPMLVLZSV-JKSUJKDBSA-N 0 3 306.450 2.234 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@H](C)c2c(C)noc2C)CCC1 ZINC001570120844 1065933682 /nfs/dbraw/zinc/93/36/82/1065933682.db2.gz CRMLFXPXWGCJBK-GFCCVEGCSA-N 0 3 303.406 2.047 20 30 DEEDHN Cc1nc(C)c(CNCC[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001497185016 1065949008 /nfs/dbraw/zinc/94/90/08/1065949008.db2.gz CZQLGYXRTKWMPE-GFCCVEGCSA-N 0 3 305.422 2.325 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)CC1 ZINC001570186909 1065963631 /nfs/dbraw/zinc/96/36/31/1065963631.db2.gz DCMIKFVIORKXGS-SJORKVTESA-N 0 3 316.449 2.055 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001497213600 1065965763 /nfs/dbraw/zinc/96/57/63/1065965763.db2.gz CCQYACMLJTXBRV-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CCNCc2cnns2)CC1 ZINC001497263128 1065996505 /nfs/dbraw/zinc/99/65/05/1065996505.db2.gz LZFMFNHCWBFBOL-LBPRGKRZSA-N 0 3 308.451 2.269 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccnc(C2CC2)n1 ZINC001497278718 1066005028 /nfs/dbraw/zinc/00/50/28/1066005028.db2.gz XTBLIGARVMWYCZ-LLVKDONJSA-N 0 3 308.813 2.205 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@](CO)(NC/C=C/Cl)C1 ZINC001570290716 1066004958 /nfs/dbraw/zinc/00/49/58/1066004958.db2.gz CVZKKIJBJMGXPA-FSNWXROXSA-N 0 3 314.857 2.284 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)n2cccn2)C(C)(C)C1 ZINC001570400217 1066050991 /nfs/dbraw/zinc/05/09/91/1066050991.db2.gz UAMJXSWGLXRREK-CVEARBPZSA-N 0 3 316.449 2.074 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccc(Cl)cc2)C[C@@H]1C ZINC001570449177 1066078007 /nfs/dbraw/zinc/07/80/07/1066078007.db2.gz MXGNPGOKVVOSKO-ZFWWWQNUSA-N 0 3 320.820 2.321 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)c2ccsc2)CC1 ZINC001570482618 1066092709 /nfs/dbraw/zinc/09/27/09/1066092709.db2.gz RYNYTTRGOBEOAL-UHFFFAOYSA-N 0 3 321.490 2.452 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1noc2c1CCCCC2 ZINC001497459733 1066103946 /nfs/dbraw/zinc/10/39/46/1066103946.db2.gz GYZNTABVCDODCZ-UHFFFAOYSA-N 0 3 303.406 2.019 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cncc(C(F)(F)F)c1 ZINC001497477611 1066110732 /nfs/dbraw/zinc/11/07/32/1066110732.db2.gz IOHLJCHVPRVCSH-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1conc1C1CCCC1 ZINC001497595828 1066183627 /nfs/dbraw/zinc/18/36/27/1066183627.db2.gz LKDKRQGEWZWKBU-VOTSOKGWSA-N 0 3 301.390 2.231 20 30 DEEDHN N#Cc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[C@H](F)C2)cc1 ZINC001497664133 1066219815 /nfs/dbraw/zinc/21/98/15/1066219815.db2.gz YIRQBCDIOCZQAS-YKIWHUSVSA-N 0 3 315.392 2.458 20 30 DEEDHN CC(C)CC[C@H](N)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC001575560118 1066350834 /nfs/dbraw/zinc/35/08/34/1066350834.db2.gz ZPSPBNGJDWPSIF-HNNXBMFYSA-N 0 3 314.433 2.229 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc2ncsc2c1 ZINC001576180727 1066513122 /nfs/dbraw/zinc/51/31/22/1066513122.db2.gz IBHVDTAQIVPNMV-PWSUYJOCSA-N 0 3 302.403 2.495 20 30 DEEDHN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC001576627390 1066648952 /nfs/dbraw/zinc/64/89/52/1066648952.db2.gz QSBIPGKYLOWLOW-BMFZPTHFSA-N 0 3 300.406 2.402 20 30 DEEDHN CCC[C@@H](OC)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001498355993 1066651771 /nfs/dbraw/zinc/65/17/71/1066651771.db2.gz LJUUBLIAAWGUEY-RHSMWYFYSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCCC[C@H]2NC(=O)C#CC(C)C)o1 ZINC001498478811 1066733896 /nfs/dbraw/zinc/73/38/96/1066733896.db2.gz BZJDUIZVXAPWSB-NVXWUHKLSA-N 0 3 317.433 2.407 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc(-n2cccn2)c1 ZINC001634641138 1078434156 /nfs/dbraw/zinc/43/41/56/1078434156.db2.gz XMCIKLJJBNVOCE-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(NCC2CC2)nc1 ZINC001634640594 1078434529 /nfs/dbraw/zinc/43/45/29/1078434529.db2.gz IYVJPCQWJCYNBH-UHFFFAOYSA-N 0 3 316.449 2.483 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001499007635 1067018393 /nfs/dbraw/zinc/01/83/93/1067018393.db2.gz PJJNWOUODGUVGP-MRXNPFEDSA-N 0 3 319.449 2.160 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001499093288 1067087071 /nfs/dbraw/zinc/08/70/71/1067087071.db2.gz NSMIIRBFCGBJPX-LSDHHAIUSA-N 0 3 316.449 2.378 20 30 DEEDHN CN1CCN(C(=O)[C@@H](N)CCCC#N)c2ccc(Cl)cc21 ZINC001578530962 1067127121 /nfs/dbraw/zinc/12/71/21/1067127121.db2.gz ZJHGJRBABOPUPA-LBPRGKRZSA-N 0 3 306.797 2.144 20 30 DEEDHN C#CCOc1ccc(C(=O)NCC2(NC/C=C/Cl)CC2)cc1 ZINC001499374619 1067201148 /nfs/dbraw/zinc/20/11/48/1067201148.db2.gz XTCNEZFETGYTLL-XCVCLJGOSA-N 0 3 318.804 2.303 20 30 DEEDHN COC[C@@]1(C(=O)Nc2ccc(CCC#N)cc2)CCCCN1 ZINC001578977826 1067214185 /nfs/dbraw/zinc/21/41/85/1067214185.db2.gz IPQVDXYEGRGYAK-QGZVFWFLSA-N 0 3 301.390 2.240 20 30 DEEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)c(C)c(OC)c1 ZINC001579160039 1067246186 /nfs/dbraw/zinc/24/61/86/1067246186.db2.gz JFXCSKGZIJROBQ-CYBMUJFWSA-N 0 3 305.378 2.362 20 30 DEEDHN COc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)c(C)c1OC ZINC001579192581 1067253855 /nfs/dbraw/zinc/25/38/55/1067253855.db2.gz AQBIEBTWWKQFLS-TZMCWYRMSA-N 0 3 319.405 2.211 20 30 DEEDHN CSc1ccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cc1C#N ZINC001579388556 1067325295 /nfs/dbraw/zinc/32/52/95/1067325295.db2.gz XRCYKONOAQKBKN-RYUDHWBXSA-N 0 3 318.446 2.172 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001579852314 1067439475 /nfs/dbraw/zinc/43/94/75/1067439475.db2.gz UODONVGOTZNLKI-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1CNCc1cscn1 ZINC001483430798 1078528873 /nfs/dbraw/zinc/52/88/73/1078528873.db2.gz FEDURVZMXRBQOP-DZGCQCFKSA-N 0 3 323.462 2.110 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CCCC[C@H]1NC(=O)C#CC(C)C ZINC001483434201 1078529934 /nfs/dbraw/zinc/52/99/34/1078529934.db2.gz KHRDUUHIBBCVHO-HZPDHXFCSA-N 0 3 317.433 2.407 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2c(s1)CSCC2 ZINC001580050615 1067483066 /nfs/dbraw/zinc/48/30/66/1067483066.db2.gz GYESEPUWDIXGLP-VIFPVBQESA-N 0 3 310.448 2.282 20 30 DEEDHN N#Cc1ccc(N(Cc2ccccc2)C(=O)CNC2CC2)nc1 ZINC001580067272 1067488014 /nfs/dbraw/zinc/48/80/14/1067488014.db2.gz MVIRPECLUWYJSY-UHFFFAOYSA-N 0 3 306.369 2.238 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cncc(OC)c1C ZINC001483473298 1078555225 /nfs/dbraw/zinc/55/52/25/1078555225.db2.gz ALHFCGQGNVLPDX-UHFFFAOYSA-N 0 3 311.813 2.203 20 30 DEEDHN Cc1cc(CNC[C@@H](NC(=O)C#CC(C)(C)C)C2CC2)sn1 ZINC001483560290 1078597632 /nfs/dbraw/zinc/59/76/32/1078597632.db2.gz RORGUSQAYCLIJX-OAHLLOKOSA-N 0 3 319.474 2.485 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1c(C)noc1C)C1CC1 ZINC001483578575 1078608736 /nfs/dbraw/zinc/60/87/36/1078608736.db2.gz ABDKIHIFPHRFQR-OAHLLOKOSA-N 0 3 305.422 2.488 20 30 DEEDHN C=C1CC(C)(C(=O)NCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C)C1 ZINC001510065490 1068018649 /nfs/dbraw/zinc/01/86/49/1068018649.db2.gz PVHLORISJXKDOX-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cncc(F)c1 ZINC001570627590 1068045156 /nfs/dbraw/zinc/04/51/56/1068045156.db2.gz NCYZXWQBJVBRCR-ZIAGYGMSSA-N 0 3 305.397 2.397 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(CF)cc1 ZINC001570711401 1068085622 /nfs/dbraw/zinc/08/56/22/1068085622.db2.gz ZSWISMPSXLNGKN-HUUCEWRRSA-N 0 3 320.408 2.131 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712931 1068087324 /nfs/dbraw/zinc/08/73/24/1068087324.db2.gz VLTFOHBHAHQIDF-CHWSQXEVSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001570712931 1068087339 /nfs/dbraw/zinc/08/73/39/1068087339.db2.gz VLTFOHBHAHQIDF-CHWSQXEVSA-N 0 3 315.421 2.363 20 30 DEEDHN C=C(Cl)CNCCCOC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001570783354 1068116877 /nfs/dbraw/zinc/11/68/77/1068116877.db2.gz MBQKCEDWKKBUQX-IUODEOHRSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001570842110 1068137250 /nfs/dbraw/zinc/13/72/50/1068137250.db2.gz ZGZKUJCUAMYUAX-QAPCUYQASA-N 0 3 306.450 2.372 20 30 DEEDHN Cc1ccccc1[C@@H](C)N[C@@H](CO)CNC(=O)C#CC(C)(C)C ZINC001571428579 1068289323 /nfs/dbraw/zinc/28/93/23/1068289323.db2.gz LUPMXXKEXDZQOO-HZPDHXFCSA-N 0 3 316.445 2.172 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)(C)C)CCn1cc(Cl)cn1 ZINC001267241125 1078691530 /nfs/dbraw/zinc/69/15/30/1078691530.db2.gz KRAZGMBPRBGPBP-UHFFFAOYSA-N 0 3 324.856 2.024 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001571480840 1068333895 /nfs/dbraw/zinc/33/38/95/1068333895.db2.gz IJQXBGVVKYBHQV-HOCLYGCPSA-N 0 3 322.412 2.293 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001571542035 1068408636 /nfs/dbraw/zinc/40/86/36/1068408636.db2.gz JHJJOKNEGVAKPH-LSDHHAIUSA-N 0 3 318.465 2.315 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001571607982 1068438467 /nfs/dbraw/zinc/43/84/67/1068438467.db2.gz WHTXMPSLIKAQED-DLBZAZTESA-N 0 3 316.445 2.044 20 30 DEEDHN CC(C)C#CC(=O)NCC1=CCN(CCOCC2CCC2)CC1 ZINC001571686960 1068482324 /nfs/dbraw/zinc/48/23/24/1068482324.db2.gz OZGIEUNBBVTAJC-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CN(CC)CC ZINC001571719132 1068497650 /nfs/dbraw/zinc/49/76/50/1068497650.db2.gz MDTCFIUQKKAVFY-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)N(C)C(=O)CN(CC)CC)CC1 ZINC001571867942 1068559819 /nfs/dbraw/zinc/55/98/19/1068559819.db2.gz BOSBLWUKPKXDIE-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)OCc2ccccc2)C1 ZINC001267297472 1078742969 /nfs/dbraw/zinc/74/29/69/1078742969.db2.gz IEBLZZLKOOFKGF-FUHWJXTLSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cn(C)nc1CC ZINC001483660235 1078761496 /nfs/dbraw/zinc/76/14/96/1078761496.db2.gz QVAUAOOPGOKFOC-UONOGXRCSA-N 0 3 304.438 2.141 20 30 DEEDHN CO[C@@H](CN(CCNC(=O)C#CC1CC1)C1CC1)C1CCCC1 ZINC001267325583 1078766618 /nfs/dbraw/zinc/76/66/18/1078766618.db2.gz LDBLXBVZZNPZNJ-SFHVURJKSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@H](C)CC#N ZINC001351543206 1151570256 /nfs/dbraw/zinc/57/02/56/1151570256.db2.gz CIWFGNDLFUICHL-KGLIPLIRSA-N 0 3 302.426 2.012 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1cn2c(n1)CCC2)c1ccccc1 ZINC001267361634 1078793366 /nfs/dbraw/zinc/79/33/66/1078793366.db2.gz DXWICTUPGNBMGF-HNNXBMFYSA-N 0 3 310.401 2.076 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1cc(C)on1 ZINC001515318458 1068862058 /nfs/dbraw/zinc/86/20/58/1068862058.db2.gz LTWBHCRAURXIHL-AWEZNQCLSA-N 0 3 305.378 2.321 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@]1(C)CCCOC1)c1ccccc1 ZINC001267378159 1078809326 /nfs/dbraw/zinc/80/93/26/1078809326.db2.gz YGIOAEARXJSIGU-WMZOPIPTSA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001483705822 1078831169 /nfs/dbraw/zinc/83/11/69/1078831169.db2.gz JIRHOIUUPVMUAC-IRXDYDNUSA-N 0 3 301.434 2.056 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(=O)OC ZINC001644822434 1078864661 /nfs/dbraw/zinc/86/46/61/1078864661.db2.gz DQWWTOMXYWRNJS-GJZGRUSLSA-N 0 3 310.438 2.121 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCC(=O)OCc1ccccc1Cl ZINC001521347207 1069234697 /nfs/dbraw/zinc/23/46/97/1069234697.db2.gz VILLTCOKGBICGS-CQSZACIVSA-N 0 3 324.808 2.183 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN[C@@H](c2ccc(CC)cc2)C1 ZINC001574902742 1069290700 /nfs/dbraw/zinc/29/07/00/1069290700.db2.gz FGFJRPUPHRKNNH-QZTJIDSGSA-N 0 3 315.461 2.406 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001574903248 1069292963 /nfs/dbraw/zinc/29/29/63/1069292963.db2.gz NDOFKLXVUQFVKE-HUUCEWRRSA-N 0 3 303.406 2.053 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N(C)C ZINC001645572087 1078922833 /nfs/dbraw/zinc/92/28/33/1078922833.db2.gz OBNBSUDYKPJIST-HUUCEWRRSA-N 0 3 321.446 2.018 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NCc1ccccc1F ZINC001369246595 1148881106 /nfs/dbraw/zinc/88/11/06/1148881106.db2.gz VRJGAGIHNQMWCR-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](O)CN[C@@H](C)c1ccccc1F ZINC001272504992 1078934801 /nfs/dbraw/zinc/93/48/01/1078934801.db2.gz SDBSTEURJIXYQN-GJZGRUSLSA-N 0 3 320.408 2.147 20 30 DEEDHN Cc1nc[nH]c1C(=O)OC1CCN(Cc2ccccc2C#N)CC1 ZINC001548589533 1072701182 /nfs/dbraw/zinc/70/11/82/1072701182.db2.gz BIOWPTLTQNVREZ-UHFFFAOYSA-N 0 3 324.384 2.411 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](OC)C1CC1)c1ccccc1 ZINC001267521277 1078952250 /nfs/dbraw/zinc/95/22/50/1078952250.db2.gz RKPVPGVDNZYREL-IRXDYDNUSA-N 0 3 302.418 2.435 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNCC(=C)Cl)C1 ZINC001272565466 1078964622 /nfs/dbraw/zinc/96/46/22/1078964622.db2.gz MKFZNKVJDQRQBJ-KFWWJZLASA-N 0 3 312.841 2.158 20 30 DEEDHN CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(CCOC(C)C)C1 ZINC001267542235 1078972566 /nfs/dbraw/zinc/97/25/66/1078972566.db2.gz RYKIRPZFGPWBFX-QGZVFWFLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccc(F)nc2)C1 ZINC001267536941 1078966192 /nfs/dbraw/zinc/96/61/92/1078966192.db2.gz CQLTYUXCTJQCFH-OAHLLOKOSA-N 0 3 303.381 2.171 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001267536095 1078966428 /nfs/dbraw/zinc/96/64/28/1078966428.db2.gz MIHLSKVGHHHRPD-ZFWWWQNUSA-N 0 3 319.453 2.359 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCOCC2)C1 ZINC001267540551 1078970861 /nfs/dbraw/zinc/97/08/61/1078970861.db2.gz OTJSHZGEQPYCJA-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CCN(Cc2cccc(OC)n2)C1 ZINC001267554909 1078986766 /nfs/dbraw/zinc/98/67/66/1078986766.db2.gz KGKYWFWZHBMOLN-OAHLLOKOSA-N 0 3 317.433 2.385 20 30 DEEDHN N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc[nH]c1 ZINC001272645098 1079038984 /nfs/dbraw/zinc/03/89/84/1079038984.db2.gz XRPQJTRUVAINBV-KRWDZBQOSA-N 0 3 300.406 2.275 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CCCO1 ZINC001272661333 1079069500 /nfs/dbraw/zinc/06/95/00/1079069500.db2.gz CTXFLFBCWUNXBU-SFHVURJKSA-N 0 3 314.429 2.327 20 30 DEEDHN Cc1noc(C)c1CN(C)C[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001267580843 1079073335 /nfs/dbraw/zinc/07/33/35/1079073335.db2.gz FGVGEKKZMCQIDI-INIZCTEOSA-N 0 3 317.433 2.231 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2CCOc2ccccc2)C1=O ZINC001272667842 1079088535 /nfs/dbraw/zinc/08/85/35/1079088535.db2.gz XKWPCQCSGDUSNK-SFHVURJKSA-N 0 3 300.402 2.318 20 30 DEEDHN C#Cc1cncc(C(=O)NCC2(NCc3cccc(C)c3)CC2)c1 ZINC001483765854 1079090751 /nfs/dbraw/zinc/09/07/51/1079090751.db2.gz CMTXAKALEWMWFB-UHFFFAOYSA-N 0 3 319.408 2.424 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)[C@@]1(C)CCOC1 ZINC001272675863 1079112545 /nfs/dbraw/zinc/11/25/45/1079112545.db2.gz UIKLBFOHKBFBJZ-IBGZPJMESA-N 0 3 314.429 2.185 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC001483784639 1079119032 /nfs/dbraw/zinc/11/90/32/1079119032.db2.gz ZYQDLVVKXHHGBI-JKSUJKDBSA-N 0 3 306.450 2.089 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H](NCc3cnc(C)nc3)C2)CCC1 ZINC001649440120 1079119911 /nfs/dbraw/zinc/11/99/11/1079119911.db2.gz ZEBFUGYZDFEDJB-WKILWMFISA-N 0 3 314.433 2.268 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NCc2ccn(C)n2)CCC1 ZINC001649441592 1079120986 /nfs/dbraw/zinc/12/09/86/1079120986.db2.gz DYRVWYYCUBDVMD-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN CC(=NO)[C@@H]1C[C@@H](C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1(C)C ZINC001550368152 1073618661 /nfs/dbraw/zinc/61/86/61/1073618661.db2.gz LWASPEHVRAXOET-KCXAZCMYSA-N 0 3 321.465 2.442 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1csc(C2CC2)n1 ZINC001481061252 1079142138 /nfs/dbraw/zinc/14/21/38/1079142138.db2.gz SXKZTOSGZXSCAG-CQSZACIVSA-N 0 3 305.447 2.330 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001481091164 1079172515 /nfs/dbraw/zinc/17/25/15/1079172515.db2.gz KRTLJQCKCKOMKT-SFHVURJKSA-N 0 3 309.413 2.300 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001481101231 1079183508 /nfs/dbraw/zinc/18/35/08/1079183508.db2.gz HVZWLQKFBKRJGM-QWHCGFSZSA-N 0 3 306.356 2.140 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCC(=O)N[C@H](C)C(C)C ZINC001483931614 1079193839 /nfs/dbraw/zinc/19/38/39/1079193839.db2.gz VVIKRMFDDKWSKY-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC[C@H]1CNCc1cncs1 ZINC001483931736 1079193861 /nfs/dbraw/zinc/19/38/61/1079193861.db2.gz QSHKTCFQNATGLK-ZDUSSCGKSA-N 0 3 305.447 2.273 20 30 DEEDHN C=CCOCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001483963098 1079214733 /nfs/dbraw/zinc/21/47/33/1079214733.db2.gz YMXHYGCPTYZOTE-UHFFFAOYSA-N 0 3 308.447 2.421 20 30 DEEDHN C#CCN(C(=O)CCOC(C)C)C1CCN(CC(=C)C)CC1 ZINC001483979996 1079223923 /nfs/dbraw/zinc/22/39/23/1079223923.db2.gz GFJKUCVAAKLYKE-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)OCC1CC1)C2 ZINC001484019744 1079245189 /nfs/dbraw/zinc/24/51/89/1079245189.db2.gz JOMYRRMRKUGEGI-APWZRJJASA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1-n1cccn1 ZINC001481146723 1079254689 /nfs/dbraw/zinc/25/46/89/1079254689.db2.gz IJZNDPVTQHPBPF-UHFFFAOYSA-N 0 3 324.428 2.337 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001646796575 1074622911 /nfs/dbraw/zinc/62/29/11/1074622911.db2.gz BOBAVTYSKLONAX-UTLUCORTSA-N 0 3 314.735 2.073 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cncc(C(F)F)c1)C2 ZINC001647374254 1074900274 /nfs/dbraw/zinc/90/02/74/1074900274.db2.gz MCEUYVULZOOKON-VTWZXRTESA-N 0 3 306.316 2.097 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC001647451716 1074931551 /nfs/dbraw/zinc/93/15/51/1074931551.db2.gz CUNVTOYJKRHLGQ-INIZCTEOSA-N 0 3 315.461 2.452 20 30 DEEDHN Cc1cc(C)c(C#N)c(N[C@H](C)CCN2CCN(C)CC2)n1 ZINC001647623820 1074957798 /nfs/dbraw/zinc/95/77/98/1074957798.db2.gz RRJCJSRLMRUERB-CQSZACIVSA-N 0 3 301.438 2.008 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@]1(C)Br ZINC001556466967 1075032244 /nfs/dbraw/zinc/03/22/44/1075032244.db2.gz ULCUBPGLUKUUAR-YPMHNXCESA-N 0 3 303.244 2.126 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001484172113 1079344148 /nfs/dbraw/zinc/34/41/48/1079344148.db2.gz FQQITYDGBQPJJK-MRXNPFEDSA-N 0 3 324.375 2.133 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cc1cc(OC)ccc1OC ZINC001556466262 1075032045 /nfs/dbraw/zinc/03/20/45/1075032045.db2.gz PBUQJQQOANSCTA-UHFFFAOYSA-N 0 3 320.433 2.213 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)[nH]nc1C(F)(F)F ZINC001556466299 1075032160 /nfs/dbraw/zinc/03/21/60/1075032160.db2.gz QTDXLPXFJJNBSM-UHFFFAOYSA-N 0 3 318.343 2.317 20 30 DEEDHN CN(C)Cc1ccccc1NC(=O)c1cccc(C#CCO)c1 ZINC001556765581 1075043635 /nfs/dbraw/zinc/04/36/35/1075043635.db2.gz UUCDRZLVCUXXQS-UHFFFAOYSA-N 0 3 308.381 2.344 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001484244905 1079366189 /nfs/dbraw/zinc/36/61/89/1079366189.db2.gz LQTCUDFYJRGMCE-KSSFIOAISA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCN(CC1CCCCC1)S(=O)(=O)CCCN(C)C ZINC001561251587 1075151803 /nfs/dbraw/zinc/15/18/03/1075151803.db2.gz MYVLLWLYDHNYPM-UHFFFAOYSA-N 0 3 302.484 2.336 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001565860590 1075198843 /nfs/dbraw/zinc/19/88/43/1075198843.db2.gz NXDUFASDWWBOQL-XIRDDKMYSA-N 0 3 316.470 2.274 20 30 DEEDHN C#CCCN1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)=O)C(C)(C)[C@H]21 ZINC001565992158 1075212943 /nfs/dbraw/zinc/21/29/43/1075212943.db2.gz CZEQGATYLAMUCI-NXHRZFHOSA-N 0 3 318.461 2.374 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)c2snnc2C)[C@H]1CC ZINC001566007008 1075215712 /nfs/dbraw/zinc/21/57/12/1075215712.db2.gz YBTNSTIYFDRWJD-QWHCGFSZSA-N 0 3 308.451 2.395 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCc2ccsc2)[C@H]1C ZINC001566092925 1075228619 /nfs/dbraw/zinc/22/86/19/1075228619.db2.gz OLJOFEGYMIZSQO-ZBFHGGJFSA-N 0 3 322.474 2.462 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(-c2cnco2)cc1 ZINC001566465771 1075251180 /nfs/dbraw/zinc/25/11/80/1075251180.db2.gz DQJAPNYYVJZBQI-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN CC[C@@H](F)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001566481773 1075256304 /nfs/dbraw/zinc/25/63/04/1075256304.db2.gz PFRQHDQSJZQGHN-CQSZACIVSA-N 0 3 309.360 2.384 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001566524515 1075269227 /nfs/dbraw/zinc/26/92/27/1075269227.db2.gz CWMPFVJIYFPCMC-KUKCEQTMSA-N 0 3 321.465 2.004 20 30 DEEDHN CCN(CC#Cc1ccccc1)CCCNC(=O)c1n[nH]cc1C ZINC001566549251 1075277985 /nfs/dbraw/zinc/27/79/85/1075277985.db2.gz RIWIGXNSOJYRHI-UHFFFAOYSA-N 0 3 324.428 2.212 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(C)n(CC)c1C)C1CC1 ZINC001566592020 1075290942 /nfs/dbraw/zinc/29/09/42/1075290942.db2.gz KCAYOQMNZHMPLA-UHFFFAOYSA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccc(OC)cc1C)C1CC1 ZINC001566595363 1075292048 /nfs/dbraw/zinc/29/20/48/1075292048.db2.gz BMTYYGFZXLXLQE-UHFFFAOYSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H]1CCCc2cccnc21)C1CC1 ZINC001566593789 1075292445 /nfs/dbraw/zinc/29/24/45/1075292445.db2.gz HHNGQNUKDPBTFC-QGZVFWFLSA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001566662117 1075308303 /nfs/dbraw/zinc/30/83/03/1075308303.db2.gz HJVHXXPDTSPFPM-FUHWJXTLSA-N 0 3 314.429 2.032 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCCCCF)C2)cn1 ZINC001566679059 1075316058 /nfs/dbraw/zinc/31/60/58/1075316058.db2.gz MKZPPVFORFFRDM-MRXNPFEDSA-N 0 3 303.381 2.007 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCOCC2CC2)C1 ZINC001566824315 1075353595 /nfs/dbraw/zinc/35/35/95/1075353595.db2.gz HIHXIMNYSANKFZ-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001566824948 1075353931 /nfs/dbraw/zinc/35/39/31/1075353931.db2.gz OVFVBIVUUHIYTO-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN C/C=C(\C)C(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001566833976 1075357082 /nfs/dbraw/zinc/35/70/82/1075357082.db2.gz CAUPGRHAWUFUOX-KNJCEGJGSA-N 0 3 300.377 2.380 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2cccc3cnccc32)C1 ZINC001566872295 1075369521 /nfs/dbraw/zinc/36/95/21/1075369521.db2.gz VZTWNLSYLKSFGW-INIZCTEOSA-N 0 3 321.424 2.239 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1sc(C)nc1C ZINC001566925057 1075387527 /nfs/dbraw/zinc/38/75/27/1075387527.db2.gz ZSMVDRFOFQSAQI-CQSZACIVSA-N 0 3 307.463 2.459 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001566965929 1075401861 /nfs/dbraw/zinc/40/18/61/1075401861.db2.gz OMFXIUZDHSEBIY-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(F)nc1)NCc1ccc(C#N)s1 ZINC001567003558 1075413280 /nfs/dbraw/zinc/41/32/80/1075413280.db2.gz ACHOOQHTDLFGBR-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC001567002010 1075413459 /nfs/dbraw/zinc/41/34/59/1075413459.db2.gz LDDVAWLSXSNPNN-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001567043592 1075422048 /nfs/dbraw/zinc/42/20/48/1075422048.db2.gz KRDYYGNSWJFOSW-ZDUSSCGKSA-N 0 3 315.417 2.373 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1c(C)cccc1Cl ZINC001567050529 1075422725 /nfs/dbraw/zinc/42/27/25/1075422725.db2.gz BPCYQUQGZALKKI-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001567067683 1075426210 /nfs/dbraw/zinc/42/62/10/1075426210.db2.gz QPRHNEDTEZGPLB-KGYLQXTDSA-N 0 3 324.346 2.325 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2scnc2C)C1 ZINC001567092968 1075430312 /nfs/dbraw/zinc/43/03/12/1075430312.db2.gz KZLLSAPSCAUZIK-AWEZNQCLSA-N 0 3 305.447 2.336 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001567107215 1075433568 /nfs/dbraw/zinc/43/35/68/1075433568.db2.gz VIROFGIABOUEEL-DLBZAZTESA-N 0 3 324.440 2.135 20 30 DEEDHN Cc1nc(CNC[C@@H]2CCN(C(=O)C#CC(C)C)C2)c(C)s1 ZINC001567122923 1075436770 /nfs/dbraw/zinc/43/67/70/1075436770.db2.gz DXCAKHWDXUYDNE-HNNXBMFYSA-N 0 3 319.474 2.357 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001650163463 1079430068 /nfs/dbraw/zinc/43/00/68/1079430068.db2.gz OVEBDMNQYYYQAD-ZIAGYGMSSA-N 0 3 310.394 2.202 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC001267743702 1079441778 /nfs/dbraw/zinc/44/17/78/1079441778.db2.gz ZPNKUZZIVAFEHQ-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(C)c(F)c1 ZINC001329441023 1148895248 /nfs/dbraw/zinc/89/52/48/1148895248.db2.gz LVGGAUYTXUUNNR-GJZGRUSLSA-N 0 3 320.408 2.109 20 30 DEEDHN CC[C@@H](CNC(=O)CCOC(C)C)NCC#Cc1ccccc1 ZINC001267797184 1079501617 /nfs/dbraw/zinc/50/16/17/1079501617.db2.gz DBNSJLLETCQDGU-SFHVURJKSA-N 0 3 316.445 2.338 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](C)(CNC(=O)CN(C)CCC)C1 ZINC001586174168 1076392734 /nfs/dbraw/zinc/39/27/34/1076392734.db2.gz NJWKZHHCTOJCET-GOSISDBHSA-N 0 3 323.481 2.039 20 30 DEEDHN CN(C)CC#CCNC(=O)c1cccc(Oc2ccncc2)c1 ZINC001587079211 1076410969 /nfs/dbraw/zinc/41/09/69/1076410969.db2.gz XCAOUFZMELCYMQ-UHFFFAOYSA-N 0 3 309.369 2.169 20 30 DEEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(-c3nnn[n-]3)ccc2N(C)C)C1 ZINC001588563976 1076454870 /nfs/dbraw/zinc/45/48/70/1076454870.db2.gz HAXSAIKLEYNNHW-ZDUSSCGKSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC[C@H]1CC[N@H+](Cc2cc(-c3nnn[n-]3)ccc2N(C)C)C1 ZINC001588563976 1076454871 /nfs/dbraw/zinc/45/48/71/1076454871.db2.gz HAXSAIKLEYNNHW-ZDUSSCGKSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(-c3nn[n-]n3)ccc2N(C)C)C1 ZINC001588563976 1076454872 /nfs/dbraw/zinc/45/48/72/1076454872.db2.gz HAXSAIKLEYNNHW-ZDUSSCGKSA-N 0 3 312.421 2.331 20 30 DEEDHN C=CC[C@H]1CC[N@H+](Cc2cc(-c3nn[n-]n3)ccc2N(C)C)C1 ZINC001588563976 1076454873 /nfs/dbraw/zinc/45/48/73/1076454873.db2.gz HAXSAIKLEYNNHW-ZDUSSCGKSA-N 0 3 312.421 2.331 20 30 DEEDHN C=C(C)C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)OCC ZINC001589370751 1076486730 /nfs/dbraw/zinc/48/67/30/1076486730.db2.gz FBDRYLWEXCKJDF-LSDHHAIUSA-N 0 3 310.438 2.265 20 30 DEEDHN CC(C)C[N@H+](C)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589614076 1076503273 /nfs/dbraw/zinc/50/32/73/1076503273.db2.gz MFOINPJUYADVDH-UHFFFAOYSA-N 0 3 313.409 2.128 20 30 DEEDHN CC(C)C[N@@H+](C)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589614076 1076503276 /nfs/dbraw/zinc/50/32/76/1076503276.db2.gz MFOINPJUYADVDH-UHFFFAOYSA-N 0 3 313.409 2.128 20 30 DEEDHN CC(C)C[N@H+](C)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589614076 1076503280 /nfs/dbraw/zinc/50/32/80/1076503280.db2.gz MFOINPJUYADVDH-UHFFFAOYSA-N 0 3 313.409 2.128 20 30 DEEDHN CC(C)C[N@@H+](C)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589614076 1076503282 /nfs/dbraw/zinc/50/32/82/1076503282.db2.gz MFOINPJUYADVDH-UHFFFAOYSA-N 0 3 313.409 2.128 20 30 DEEDHN C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589794711 1076516291 /nfs/dbraw/zinc/51/62/91/1076516291.db2.gz FTEYCVLHLYISCD-SNVBAGLBSA-N 0 3 302.357 2.424 20 30 DEEDHN CSc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001591710792 1076777660 /nfs/dbraw/zinc/77/76/60/1076777660.db2.gz DZLJEJXWDBNURM-CMPLNLGQSA-N 0 3 314.418 2.370 20 30 DEEDHN CSc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001591710792 1076777664 /nfs/dbraw/zinc/77/76/64/1076777664.db2.gz DZLJEJXWDBNURM-CMPLNLGQSA-N 0 3 314.418 2.370 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001598461020 1077112320 /nfs/dbraw/zinc/11/23/20/1077112320.db2.gz AZQIIYHJRUILCQ-AWEZNQCLSA-N 0 3 312.454 2.321 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@](C)(CNCCF)C2CC2)cc1 ZINC001267861126 1079548059 /nfs/dbraw/zinc/54/80/59/1079548059.db2.gz XMYLDYOVSJCUBU-SFHVURJKSA-N 0 3 318.392 2.156 20 30 DEEDHN Cc1noc(C)c1CNCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001484519340 1079639268 /nfs/dbraw/zinc/63/92/68/1079639268.db2.gz AHWSZIUTQJRUTO-MRXNPFEDSA-N 0 3 315.417 2.033 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cnc2n1CCC2 ZINC001484554030 1079657634 /nfs/dbraw/zinc/65/76/34/1079657634.db2.gz OCYKEZSZBZABNB-UHFFFAOYSA-N 0 3 324.428 2.377 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cccc(=O)[nH]2)cc1 ZINC001484560178 1079660441 /nfs/dbraw/zinc/66/04/41/1079660441.db2.gz NSGCGCWSVLWBCE-AWEZNQCLSA-N 0 3 323.396 2.391 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccn(C)n2)cc1 ZINC001484563583 1079662511 /nfs/dbraw/zinc/66/25/11/1079662511.db2.gz QCUVJFXWLQYSIW-AWEZNQCLSA-N 0 3 310.401 2.024 20 30 DEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1cnn(C2CCC2)c1 ZINC001650495498 1079665301 /nfs/dbraw/zinc/66/53/01/1079665301.db2.gz FLRFHNYRVJVLRH-NSHDSACASA-N 0 3 303.753 2.485 20 30 DEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)c1cncnc1C1CC1 ZINC001650494941 1079665433 /nfs/dbraw/zinc/66/54/33/1079665433.db2.gz DSICJHBCQHVQTA-SECBINFHSA-N 0 3 301.737 2.231 20 30 DEEDHN C=CCCCC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001484612556 1079681052 /nfs/dbraw/zinc/68/10/52/1079681052.db2.gz HIVBFWYMQJGEAQ-UHFFFAOYSA-N 0 3 302.418 2.010 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CNCc1cnc(C)cn1 ZINC001268001458 1079683584 /nfs/dbraw/zinc/68/35/84/1079683584.db2.gz CHDUACKEBRCMEN-GUYCJALGSA-N 0 3 304.438 2.229 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)c(C)c1 ZINC001272686535 1079688459 /nfs/dbraw/zinc/68/84/59/1079688459.db2.gz LZMBNGAQDUDDQY-IAGOWNOFSA-N 0 3 300.377 2.333 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CCCC[C@@H]2C)CCC1 ZINC001484665012 1079718233 /nfs/dbraw/zinc/71/82/33/1079718233.db2.gz YQUNJWAVLGDZJG-IRXDYDNUSA-N 0 3 320.477 2.481 20 30 DEEDHN Cc1ncc(CN2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001484709062 1079745731 /nfs/dbraw/zinc/74/57/31/1079745731.db2.gz AYCAROLGPCXNQS-WCQYABFASA-N 0 3 306.435 2.082 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001484827193 1079809828 /nfs/dbraw/zinc/80/98/28/1079809828.db2.gz JMVQGHDXFVBNTB-WMZOPIPTSA-N 0 3 324.440 2.089 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)OCCC(C)C)C2 ZINC001484829800 1079810465 /nfs/dbraw/zinc/81/04/65/1079810465.db2.gz LMYKDGDONIZDSW-MJGOQNOKSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC001484947213 1079873509 /nfs/dbraw/zinc/87/35/09/1079873509.db2.gz WOHAJDYJXRUJFM-MRXNPFEDSA-N 0 3 319.493 2.217 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C[C@@H]1C ZINC001484988550 1079899591 /nfs/dbraw/zinc/89/95/91/1079899591.db2.gz ZNKYFFDUBGYJPO-VHSXEESVSA-N 0 3 312.282 2.176 20 30 DEEDHN Cc1cnc([C@@H](C)N[C@@H](C)CCNC(=O)C#CC(C)(C)C)cn1 ZINC001484992308 1079909266 /nfs/dbraw/zinc/90/92/66/1079909266.db2.gz FOVJULPJBJSCAG-DZGCQCFKSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)CC2CCCCC2)CC1 ZINC001485013479 1079911976 /nfs/dbraw/zinc/91/19/76/1079911976.db2.gz LWEQHGXFCAEOIV-UHFFFAOYSA-N 0 3 308.466 2.476 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CN(C)CCOC1CCC1 ZINC001485055874 1079934621 /nfs/dbraw/zinc/93/46/21/1079934621.db2.gz ONKDNKVFEGSCQN-MRXNPFEDSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CN(C)[C@H](C)c2cnccn2)C1 ZINC001481481012 1079935229 /nfs/dbraw/zinc/93/52/29/1079935229.db2.gz ZADOETNRPVPVSA-CABCVRRESA-N 0 3 302.422 2.284 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1c2c(nn1C)CCCC2 ZINC001485058774 1079949575 /nfs/dbraw/zinc/94/95/75/1079949575.db2.gz VBEMHQZLQCTXAM-CQSZACIVSA-N 0 3 316.449 2.021 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ncoc2C2CC2)C1 ZINC001485106853 1079985122 /nfs/dbraw/zinc/98/51/22/1079985122.db2.gz UXAAYPOTPRYKSL-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(F)(F)C(F)(F)F ZINC001672544117 1079987639 /nfs/dbraw/zinc/98/76/39/1079987639.db2.gz WHTOHPFIMHNBAF-WDEREUQCSA-N 0 3 324.293 2.273 20 30 DEEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001481522597 1079994510 /nfs/dbraw/zinc/99/45/10/1079994510.db2.gz 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CC#CCNCc1ccc(CNC(=O)c2ocnc2CC)cc1 ZINC001482034722 1080719958 /nfs/dbraw/zinc/71/99/58/1080719958.db2.gz YTXGEDKVLKBLFT-UHFFFAOYSA-N 0 3 311.385 2.280 20 30 DEEDHN Cc1ncc(CN2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)o1 ZINC001107336989 1080734498 /nfs/dbraw/zinc/73/44/98/1080734498.db2.gz TWBJJNLKMJZKAB-XGWLTEMNSA-N 0 3 316.405 2.004 20 30 DEEDHN C=CC(C)(C)CC(=O)NC/C=C\CN[C@@H](C)C(=O)NC(C)(C)C ZINC001268543374 1080738187 /nfs/dbraw/zinc/73/81/87/1080738187.db2.gz GPIOWROZUZQZDS-CMUBDUJZSA-N 0 3 323.481 2.154 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)C(F)=C(C)C)CCC[C@@H]12 ZINC001107363748 1080742542 /nfs/dbraw/zinc/74/25/42/1080742542.db2.gz OLQRFURBGZMWTL-CRAIPNDOSA-N 0 3 322.424 2.260 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1CCCc1nc(C)no1 ZINC001663519324 1080765213 /nfs/dbraw/zinc/76/52/13/1080765213.db2.gz POJJPQRAAJUKNJ-CQSZACIVSA-N 0 3 320.437 2.103 20 30 DEEDHN C=CC(C)(C)C(=O)NC/C=C\CNCc1ccc(CO)cc1 ZINC001268575405 1080790777 /nfs/dbraw/zinc/79/07/77/1080790777.db2.gz 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/nfs/dbraw/zinc/90/83/47/1080908347.db2.gz ZNUYPIJVVBRQCA-CYBMUJFWSA-N 0 3 301.390 2.127 20 30 DEEDHN CCc1noc(C)c1CN(CCCNC(=O)[C@H](C)C#N)C(C)C ZINC001664491715 1080916731 /nfs/dbraw/zinc/91/67/31/1080916731.db2.gz CQHFWKVYZUTLJJ-CYBMUJFWSA-N 0 3 320.437 2.422 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCC(=O)N1CCCC[C@H]1CC ZINC001268659436 1080920596 /nfs/dbraw/zinc/92/05/96/1080920596.db2.gz RPNLSYPFZBLZSI-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001268673960 1080927760 /nfs/dbraw/zinc/92/77/60/1080927760.db2.gz ISXYWTMXPXJHTN-KGLIPLIRSA-N 0 3 322.836 2.188 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)COC1CCCC1 ZINC001268678172 1080931252 /nfs/dbraw/zinc/93/12/52/1080931252.db2.gz BPDLXYSEWTZVDO-INIZCTEOSA-N 0 3 314.429 2.092 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CCC)[C@H]1CCN(CC=C(C)C)C1 ZINC001664667284 1080939398 /nfs/dbraw/zinc/93/93/98/1080939398.db2.gz HFOAOOCRUXWJMT-SJORKVTESA-N 0 3 306.450 2.304 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)CCn2ccnc2)C1 ZINC001664674217 1080941692 /nfs/dbraw/zinc/94/16/92/1080941692.db2.gz YQUBEKLZADEDHL-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)[C@H]2CCCC23CC3)C1 ZINC001664721381 1080948050 /nfs/dbraw/zinc/94/80/50/1080948050.db2.gz AUIAYNTWQSQQOJ-DLBZAZTESA-N 0 3 318.461 2.045 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1C ZINC001268731340 1080957588 /nfs/dbraw/zinc/95/75/88/1080957588.db2.gz WICJMRDDQXHUNH-CABCVRRESA-N 0 3 320.408 2.109 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001268740896 1080965020 /nfs/dbraw/zinc/96/50/20/1080965020.db2.gz WTEGOEYPCHCGGI-FHLIZLRMSA-N 0 3 315.461 2.479 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001673462131 1081001909 /nfs/dbraw/zinc/00/19/09/1081001909.db2.gz CEQJERIUWYFDHG-QGZVFWFLSA-N 0 3 302.393 2.269 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001665328158 1081014641 /nfs/dbraw/zinc/01/46/41/1081014641.db2.gz CJCDSFZNOVAVCC-QAPCUYQASA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001268864696 1081024962 /nfs/dbraw/zinc/02/49/62/1081024962.db2.gz LHSLTAOSQNMSGO-UHFFFAOYSA-N 0 3 322.796 2.073 20 30 DEEDHN C#CC(=O)N1CCCC2(CN(CCc3c[nH]c4ccccc34)C2)C1 ZINC001268944681 1081052506 /nfs/dbraw/zinc/05/25/06/1081052506.db2.gz HQCLKEZGMXDGJY-UHFFFAOYSA-N 0 3 321.424 2.268 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001665659776 1081057496 /nfs/dbraw/zinc/05/74/96/1081057496.db2.gz RUDSCHIQPSSESU-CYBMUJFWSA-N 0 3 316.392 2.157 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2sc(C)nc2C)C1 ZINC001665726750 1081071897 /nfs/dbraw/zinc/07/18/97/1081071897.db2.gz RTTLANRJSPUAEG-OAHLLOKOSA-N 0 3 319.474 2.249 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001269034167 1081092320 /nfs/dbraw/zinc/09/23/20/1081092320.db2.gz RSNQZLGNGFLXBX-JKSUJKDBSA-N 0 3 304.438 2.237 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1ccnn1C)C1CC1 ZINC001269117288 1081123505 /nfs/dbraw/zinc/12/35/05/1081123505.db2.gz YXZHVTPTINYNCS-NVXWUHKLSA-N 0 3 304.438 2.007 20 30 DEEDHN Cc1ncc(CNCC[C@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001666111313 1081124751 /nfs/dbraw/zinc/12/47/51/1081124751.db2.gz QSAAKZCYTZILRW-MRXNPFEDSA-N 0 3 315.417 2.115 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001269138691 1081135096 /nfs/dbraw/zinc/13/50/96/1081135096.db2.gz XNLFTSVJMXAZIC-VGOKWCNXSA-N 0 3 300.377 2.443 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001269159718 1081144781 /nfs/dbraw/zinc/14/47/81/1081144781.db2.gz SSFIFQODQZSITH-DOTOQJQBSA-N 0 3 318.465 2.238 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C[C@H](C)COC)cc1 ZINC001666345249 1081146725 /nfs/dbraw/zinc/14/67/25/1081146725.db2.gz YODPMGXFDSKKDB-HNNXBMFYSA-N 0 3 302.418 2.088 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCOc2ccccc2CC)C1 ZINC001269187004 1081157862 /nfs/dbraw/zinc/15/78/62/1081157862.db2.gz MQIQQQVRAGIMOL-QGZVFWFLSA-N 0 3 314.429 2.232 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001269239441 1081178857 /nfs/dbraw/zinc/17/88/57/1081178857.db2.gz BGPDBGYHPBYCKW-NWDGAFQWSA-N 0 3 312.364 2.437 20 30 DEEDHN CC(C)[C@H](C(=O)NCC1(NCC#N)CCCC1)N1CCCCC1 ZINC001666808195 1081182870 /nfs/dbraw/zinc/18/28/70/1081182870.db2.gz CMIUYPZZHNDSIN-MRXNPFEDSA-N 0 3 320.481 2.039 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1cccc2nsnc21 ZINC001269356991 1081225875 /nfs/dbraw/zinc/22/58/75/1081225875.db2.gz WEUDYPMBLAMLMI-ZDUSSCGKSA-N 0 3 316.430 2.000 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)C(C)=C1CCCC1 ZINC001269389929 1081235485 /nfs/dbraw/zinc/23/54/85/1081235485.db2.gz CWZINUDCBILFME-GOEBONIOSA-N 0 3 321.465 2.052 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCC1(N[C@H](C)c2ccc(F)cc2)CC1 ZINC001269411789 1081242858 /nfs/dbraw/zinc/24/28/58/1081242858.db2.gz TUUXOMHHLOABES-KGLIPLIRSA-N 0 3 318.392 2.163 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CO[C@H](C)C2)CCCC1 ZINC001482222517 1081260096 /nfs/dbraw/zinc/26/00/96/1081260096.db2.gz HWSAHYCEWLCOIT-OLZOCXBDSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cccc(NC(=O)CC)c1 ZINC001667574402 1081264406 /nfs/dbraw/zinc/26/44/06/1081264406.db2.gz FYVROICVGMMEIE-UHFFFAOYSA-N 0 3 303.406 2.225 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@H](C)CO2)CCCC1 ZINC001482225371 1081270355 /nfs/dbraw/zinc/27/03/55/1081270355.db2.gz SOXBZPNAJUYLPW-AAEUAGOBSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCC[C@H]1CNCc1ncc(C)s1 ZINC001667713544 1081277050 /nfs/dbraw/zinc/27/70/50/1081277050.db2.gz FITXOVFPNBZXHB-KBPBESRZSA-N 0 3 323.462 2.029 20 30 DEEDHN CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSCC#N ZINC001269579104 1081293790 /nfs/dbraw/zinc/29/37/90/1081293790.db2.gz JKMIXPZHLOKRPG-CABCVRRESA-N 0 3 307.463 2.275 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCN[C@@H](C)c2cnccn2)cc1 ZINC001668164012 1081322104 /nfs/dbraw/zinc/32/21/04/1081322104.db2.gz ZXNYWYYYGIFMEF-GJZGRUSLSA-N 0 3 322.412 2.317 20 30 DEEDHN C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001668229917 1081331279 /nfs/dbraw/zinc/33/12/79/1081331279.db2.gz WLWQKUSNUHVMDV-LBPRGKRZSA-N 0 3 314.389 2.010 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)CCCOC(C)C)C2)CC1 ZINC001269713509 1081342595 /nfs/dbraw/zinc/34/25/95/1081342595.db2.gz DCKZLOUPOQUQRT-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)c2ccncc2F)c1 ZINC001668757079 1081392913 /nfs/dbraw/zinc/39/29/13/1081392913.db2.gz OHFYAPXGWZIJGK-OWOJBTEDSA-N 0 3 324.359 2.168 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)c2cncc(F)c2)cc1 ZINC001668775274 1081394535 /nfs/dbraw/zinc/39/45/35/1081394535.db2.gz UOJJUTQKFJELFL-OWOJBTEDSA-N 0 3 324.359 2.168 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001668864341 1081405280 /nfs/dbraw/zinc/40/52/80/1081405280.db2.gz FILNIKRNKSBPQM-SNAWJCMRSA-N 0 3 300.446 2.344 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CNCc1cncs1 ZINC001270013935 1081427754 /nfs/dbraw/zinc/42/77/54/1081427754.db2.gz DGYRWZGJIGRVLI-ZIAGYGMSSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](OCC)C(C)C)cc1 ZINC001270060186 1081440749 /nfs/dbraw/zinc/44/07/49/1081440749.db2.gz KKPOITZIRBKTMG-GOSISDBHSA-N 0 3 316.445 2.477 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C2(C(F)F)CCC2)cc1 ZINC001270071221 1081443045 /nfs/dbraw/zinc/44/30/45/1081443045.db2.gz PCSBVQIMUCIUBU-UHFFFAOYSA-N 0 3 306.356 2.461 20 30 DEEDHN C=C(C)CN1CC(N(CC)C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000950924581 1081443293 /nfs/dbraw/zinc/44/32/93/1081443293.db2.gz XKTSSWNDEBSLDD-DYVFJYSZSA-N 0 3 316.449 2.184 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CNCc1sccc1Cl ZINC001669288872 1081443599 /nfs/dbraw/zinc/44/35/99/1081443599.db2.gz MJQUQKKUPHGYBC-GHMZBOCLSA-N 0 3 314.838 2.034 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001669288774 1081443820 /nfs/dbraw/zinc/44/38/20/1081443820.db2.gz JNCXYRVGFGKTFA-ZIAGYGMSSA-N 0 3 314.385 2.065 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)ccc1C)C2 ZINC001095832019 1081452669 /nfs/dbraw/zinc/45/26/69/1081452669.db2.gz RRXWEBYTHUJWMH-PVAVHDDUSA-N 0 3 300.377 2.493 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)CNCc1cnn(-c2ccccc2)c1 ZINC001669549051 1081457314 /nfs/dbraw/zinc/45/73/14/1081457314.db2.gz GEZWUTHEYDKFII-INIZCTEOSA-N 0 3 324.428 2.126 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001669686577 1081463276 /nfs/dbraw/zinc/46/32/76/1081463276.db2.gz VUBCRSVKDBIDMI-QRTARXTBSA-N 0 3 320.408 2.401 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CNCC(=O)NC(C)(C)C)CCCC1 ZINC001669757910 1081465889 /nfs/dbraw/zinc/46/58/89/1081465889.db2.gz FBUYTHWSQVYAOK-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN CC(C)OCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270184938 1081469053 /nfs/dbraw/zinc/46/90/53/1081469053.db2.gz XQTOMTYNCMOYBC-GOSISDBHSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001669810787 1081471090 /nfs/dbraw/zinc/47/10/90/1081471090.db2.gz GWCYTYMSZDUNEV-KBPBESRZSA-N 0 3 322.836 2.315 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(C)c(F)c1 ZINC001669811216 1081471210 /nfs/dbraw/zinc/47/12/10/1081471210.db2.gz JRUUJHASMGTWOA-LSDHHAIUSA-N 0 3 320.408 2.109 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCc1cnn(CC)c1 ZINC001669863333 1081474955 /nfs/dbraw/zinc/47/49/55/1081474955.db2.gz YUVMPFFXMLNODS-OAHLLOKOSA-N 0 3 320.481 2.484 20 30 DEEDHN C#CCN(C(=O)c1ccccc1)C1CCN(CCOCC)CC1 ZINC001270279598 1081492200 /nfs/dbraw/zinc/49/22/00/1081492200.db2.gz QMKRMNXOIPXWKT-UHFFFAOYSA-N 0 3 314.429 2.263 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)NC(C)(C)C ZINC001671332718 1081513835 /nfs/dbraw/zinc/51/38/35/1081513835.db2.gz GGWLLEBQRLFORK-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(OC)nc1 ZINC001482286809 1081519637 /nfs/dbraw/zinc/51/96/37/1081519637.db2.gz JUBZHAOCKLIZON-AWEZNQCLSA-N 0 3 305.422 2.383 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001270502587 1081538959 /nfs/dbraw/zinc/53/89/59/1081538959.db2.gz ZTGODDXDPYLGJW-SRVKXCTJSA-N 0 3 303.328 2.164 20 30 DEEDHN C=CCCC(=O)NCC1(C)CCN(CC(=O)N(CC)CC)CC1 ZINC001671830099 1081542001 /nfs/dbraw/zinc/54/20/01/1081542001.db2.gz LGQVOYNXRBZMKK-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccn(CC)c2C)CC1 ZINC001671849626 1081543793 /nfs/dbraw/zinc/54/37/93/1081543793.db2.gz XCRSIQHUPRUQQK-UHFFFAOYSA-N 0 3 301.434 2.282 20 30 DEEDHN C=CCCC(=O)NC[C@]1(O)CCN(CCCCC(F)(F)F)C1 ZINC001671982104 1081555849 /nfs/dbraw/zinc/55/58/49/1081555849.db2.gz LPVIRLVVBYTVHC-CQSZACIVSA-N 0 3 322.371 2.238 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001672030660 1081558120 /nfs/dbraw/zinc/55/81/20/1081558120.db2.gz SWGAXQQHZCYNRN-PKOBYXMFSA-N 0 3 316.445 2.165 20 30 DEEDHN CC#CCCCC(=O)N[C@]1(C)CCN(CCOCC(C)C)C1 ZINC001270616068 1081564499 /nfs/dbraw/zinc/56/44/99/1081564499.db2.gz ROHXEJUYUWAGJC-GOSISDBHSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCCC(=O)N[C@]1(C)CCN(CCn2nc(C)cc2C)C1 ZINC001270624910 1081570851 /nfs/dbraw/zinc/57/08/51/1081570851.db2.gz UPTLRPKQZOQARN-GOSISDBHSA-N 0 3 318.465 2.437 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)CCOc2ccccc2F)C1 ZINC001270647182 1081580340 /nfs/dbraw/zinc/58/03/40/1081580340.db2.gz BCVMJSABUJDZOI-KRWDZBQOSA-N 0 3 306.381 2.361 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)c1ccnn1CC ZINC001672388785 1081591811 /nfs/dbraw/zinc/59/18/11/1081591811.db2.gz PQYHPTVXOSNIMD-UHFFFAOYSA-N 0 3 324.428 2.158 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1[nH]c(C)cc1C ZINC001672392981 1081592318 /nfs/dbraw/zinc/59/23/18/1081592318.db2.gz STYVOIZJPSHFIX-UHFFFAOYSA-N 0 3 309.413 2.497 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cccc1 ZINC001672543546 1081610866 /nfs/dbraw/zinc/61/08/66/1081610866.db2.gz LHQOCQYGMJJWBQ-ZWKOTPCHSA-N 0 3 313.445 2.357 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC001672896938 1081719130 /nfs/dbraw/zinc/71/91/30/1081719130.db2.gz LIUFEYIGIQLXII-GFCCVEGCSA-N 0 3 311.813 2.431 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@H](C)OC)cc1 ZINC001672937127 1081724246 /nfs/dbraw/zinc/72/42/46/1081724246.db2.gz HPJYNSHGZUFJKQ-GJZGRUSLSA-N 0 3 302.418 2.402 20 30 DEEDHN C=C(C)CCC(=O)NCc1cccc2c1CCN(C[C@@H](C)O)C2 ZINC001673079978 1081737139 /nfs/dbraw/zinc/73/71/39/1081737139.db2.gz WMJPLOWKMHJOPX-OAHLLOKOSA-N 0 3 316.445 2.398 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@@H](C)c2c(C)noc2C)CC1 ZINC001670807883 1081755391 /nfs/dbraw/zinc/75/53/91/1081755391.db2.gz RJUDNUQRRNYBEK-GFCCVEGCSA-N 0 3 303.406 2.047 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001673387634 1081764737 /nfs/dbraw/zinc/76/47/37/1081764737.db2.gz SYTKPMWZQCEVDE-IRXDYDNUSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCCN(C)Cc1ccsc1 ZINC001673434209 1081769759 /nfs/dbraw/zinc/76/97/59/1081769759.db2.gz IREZQZGFDVFOJP-CQSZACIVSA-N 0 3 308.447 2.067 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@]1(C)CCOc2ccccc21 ZINC001673482836 1081773017 /nfs/dbraw/zinc/77/30/17/1081773017.db2.gz GNZSWUFTPLXMPK-LJQANCHMSA-N 0 3 314.429 2.140 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccc(F)cc1F ZINC001673486675 1081774551 /nfs/dbraw/zinc/77/45/51/1081774551.db2.gz MRUYUVKQWXGISE-UHFFFAOYSA-N 0 3 324.371 2.009 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CCC)OCC)C2 ZINC001673650846 1081789092 /nfs/dbraw/zinc/78/90/92/1081789092.db2.gz NLRDLHAMVNDXJV-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCC(=O)N(C)[C@H](C)CNCC(=O)N1CCCC[C@@H]1CC ZINC001270915117 1081837764 /nfs/dbraw/zinc/83/77/64/1081837764.db2.gz ULYUVZFICUCVQJ-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN1CCN(CCCCCNC(=O)C(C)=C2CCC2)CC1 ZINC001674283613 1081855882 /nfs/dbraw/zinc/85/58/82/1081855882.db2.gz CWSZMIXKXZJKDP-UHFFFAOYSA-N 0 3 317.477 2.024 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001674283623 1081856189 /nfs/dbraw/zinc/85/61/89/1081856189.db2.gz DGEODXOUSLKGDN-IRXDYDNUSA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001674280256 1081856544 /nfs/dbraw/zinc/85/65/44/1081856544.db2.gz SOHJIDJYAUQUPS-OAHLLOKOSA-N 0 3 312.429 2.394 20 30 DEEDHN C/C=C(/C)C(=O)N1CCC2(CCN(CC#CCOC)CC2)CC1 ZINC001674294453 1081858300 /nfs/dbraw/zinc/85/83/00/1081858300.db2.gz NDBFJVUGZZGVRI-INGKJJEOSA-N 0 3 318.461 2.307 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cncnc1C(C)C ZINC001674499977 1081884151 /nfs/dbraw/zinc/88/41/51/1081884151.db2.gz UAYBIFUYYJZLBO-AWEZNQCLSA-N 0 3 302.422 2.322 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001674672773 1081902981 /nfs/dbraw/zinc/90/29/81/1081902981.db2.gz IKCVGVKUWYQDJL-NEPJUHHUSA-N 0 3 319.453 2.267 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CC)CCn2nc(C)cc2C)C1 ZINC001266416838 1082029424 /nfs/dbraw/zinc/02/94/24/1082029424.db2.gz NZMDLQVKCUFSOP-UHFFFAOYSA-N 0 3 318.465 2.294 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)cn1 ZINC001266481097 1082065816 /nfs/dbraw/zinc/06/58/16/1082065816.db2.gz HUQFYTIFYBUDJD-KFWWJZLASA-N 0 3 302.422 2.064 20 30 DEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001266486019 1082068759 /nfs/dbraw/zinc/06/87/59/1082068759.db2.gz KZTFUSNFYQBQJY-IRXDYDNUSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C ZINC001266491035 1082072846 /nfs/dbraw/zinc/07/28/46/1082072846.db2.gz AYUGHZYMLRFNAH-AEGPPILISA-N 0 3 302.422 2.362 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001649455577 1082114669 /nfs/dbraw/zinc/11/46/69/1082114669.db2.gz DPGWVUXTVWZKDG-URWSZGRFSA-N 0 3 300.830 2.158 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccnn1C ZINC001271727131 1082123556 /nfs/dbraw/zinc/12/35/56/1082123556.db2.gz GLZOTXLDXFTPSF-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001266552241 1082149433 /nfs/dbraw/zinc/14/94/33/1082149433.db2.gz RCINMMLSMBDHHF-HNNXBMFYSA-N 0 3 313.376 2.063 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2OC)C1 ZINC001266562036 1082160276 /nfs/dbraw/zinc/16/02/76/1082160276.db2.gz MQRLXSVKHVGYBC-HOTGVXAUSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc(NC(=O)CC)c1 ZINC001266562459 1082160936 /nfs/dbraw/zinc/16/09/36/1082160936.db2.gz CVLXKFZVCDGDKQ-UHFFFAOYSA-N 0 3 315.417 2.110 20 30 DEEDHN CC#CCCCC(=O)N1CCC[C@H]1CNCc1ccns1 ZINC001671337664 1082164817 /nfs/dbraw/zinc/16/48/17/1082164817.db2.gz PMVFSFIAWNDDMM-AWEZNQCLSA-N 0 3 305.447 2.417 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1)c1ccco1 ZINC001266573714 1082168136 /nfs/dbraw/zinc/16/81/36/1082168136.db2.gz DUKOEXIZGCHJFM-WKILWMFISA-N 0 3 312.344 2.321 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCN1CC1CCC2(CC2)CC1 ZINC001670640581 1082202285 /nfs/dbraw/zinc/20/22/85/1082202285.db2.gz GRMANXYFTVMEMG-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2cccc(C)c2)C1 ZINC001271943405 1082203693 /nfs/dbraw/zinc/20/36/93/1082203693.db2.gz XXENPIFNJUHRRX-GOSISDBHSA-N 0 3 302.418 2.128 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)CC2(C)CCCCC2)C1 ZINC001271973428 1082216163 /nfs/dbraw/zinc/21/61/63/1082216163.db2.gz KDZULJPXBMUDJE-LJQANCHMSA-N 0 3 320.477 2.313 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)c2ccco2)cc1C#N ZINC001266627429 1082230358 /nfs/dbraw/zinc/23/03/58/1082230358.db2.gz ZDDPFBBDIRKYAW-UHFFFAOYSA-N 0 3 313.357 2.022 20 30 DEEDHN CCC(=CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC)CC ZINC001266646165 1082244786 /nfs/dbraw/zinc/24/47/86/1082244786.db2.gz WZWIJUSKGZZCJM-AYHJJNSGSA-N 0 3 318.461 2.494 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)/C=C/c1ccc[nH]1 ZINC001266684155 1082282313 /nfs/dbraw/zinc/28/23/13/1082282313.db2.gz HSJMRHQZDZSNKK-QPJJXVBHSA-N 0 3 314.414 2.209 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000971390727 1082300174 /nfs/dbraw/zinc/30/01/74/1082300174.db2.gz HSEAKZBEQDRCOW-GOSISDBHSA-N 0 3 323.396 2.427 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@H](C)CCc1ccccc1F ZINC001266833936 1082379223 /nfs/dbraw/zinc/37/92/23/1082379223.db2.gz AVUDFLBHVHREDW-OAHLLOKOSA-N 0 3 304.409 2.466 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCc1nc(C(C)C)no1 ZINC001266849497 1082393281 /nfs/dbraw/zinc/39/32/81/1082393281.db2.gz MPSHWHMQTOUZCR-CQSZACIVSA-N 0 3 320.437 2.282 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCCCN1C[C@H]1CCCCO1 ZINC001266860069 1082404293 /nfs/dbraw/zinc/40/42/93/1082404293.db2.gz WMCQCOVTIJVCMY-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1CNCc1ncccc1C ZINC001266864969 1082410457 /nfs/dbraw/zinc/41/04/57/1082410457.db2.gz NYJVYDWQLYOHAO-INIZCTEOSA-N 0 3 317.433 2.063 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC001482635653 1082426495 /nfs/dbraw/zinc/42/64/95/1082426495.db2.gz HSMPBYSCPZLDCD-UHFFFAOYSA-N 0 3 321.490 2.397 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1c2ccccc2NC1=O ZINC001482654346 1082435444 /nfs/dbraw/zinc/43/54/44/1082435444.db2.gz GJZXIGJAUDEAPL-HNNXBMFYSA-N 0 3 315.417 2.079 20 30 DEEDHN CC[C@H](OC)C(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001482814273 1082511410 /nfs/dbraw/zinc/51/14/10/1082511410.db2.gz GOPIPWCMOMCCBY-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001482842071 1082526817 /nfs/dbraw/zinc/52/68/17/1082526817.db2.gz UATYRZHOQFGKIK-SNVBAGLBSA-N 0 3 322.796 2.119 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001482976263 1082590587 /nfs/dbraw/zinc/59/05/87/1082590587.db2.gz DPUBVLYCZKHVQP-FKZRYSJHSA-N 0 3 301.365 2.115 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001483027664 1082631970 /nfs/dbraw/zinc/63/19/70/1082631970.db2.gz HIERGDBYDKNZQD-LFAOLKIESA-N 0 3 314.433 2.061 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001483127946 1082744853 /nfs/dbraw/zinc/74/48/53/1082744853.db2.gz MRKGEMBEOITZFD-ZIAGYGMSSA-N 0 3 322.836 2.281 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H](C)C(F)(F)F ZINC001483156031 1082780703 /nfs/dbraw/zinc/78/07/03/1082780703.db2.gz DWJCLVGGTOXZMW-CHWSQXEVSA-N 0 3 312.335 2.331 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CCC1(F)F ZINC001483239027 1083036932 /nfs/dbraw/zinc/03/69/32/1083036932.db2.gz YENPIIQNRGYCIR-CABZTGNLSA-N 0 3 313.373 2.259 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001483352832 1083122996 /nfs/dbraw/zinc/12/29/96/1083122996.db2.gz SFMZYAFGCGYCDB-LLVKDONJSA-N 0 3 304.419 2.374 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCc1ccnn1C)C1CC1 ZINC001276664658 1083537982 /nfs/dbraw/zinc/53/79/82/1083537982.db2.gz DMEXIOPLFOXMTN-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)C1 ZINC001077645580 1083545702 /nfs/dbraw/zinc/54/57/02/1083545702.db2.gz NMJQCDCZCVEOPN-HZPDHXFCSA-N 0 3 306.450 2.084 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C3(c4ccc(C)cc4)CCC3)[C@@H]2C1 ZINC001276748085 1083586196 /nfs/dbraw/zinc/58/61/96/1083586196.db2.gz IUKJJALVJKTVCU-LDLYASANSA-N 0 3 322.452 2.344 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)C1(c2cc(C)no2)CC1 ZINC001276908464 1083674362 /nfs/dbraw/zinc/67/43/62/1083674362.db2.gz IWARROXXFCVVQM-CQSZACIVSA-N 0 3 303.406 2.171 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001276942242 1083691960 /nfs/dbraw/zinc/69/19/60/1083691960.db2.gz UXAIXYGOZMCIBK-SWLSCSKDSA-N 0 3 302.422 2.252 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001276950211 1083697184 /nfs/dbraw/zinc/69/71/84/1083697184.db2.gz PZWXEUPQKBEEQP-UKRRQHHQSA-N 0 3 304.438 2.141 20 30 DEEDHN C[C@H]1C[C@@H]1CN1CCc2nc(C(=O)N3CC(CC#N)C3)ccc2C1 ZINC001277145242 1083806409 /nfs/dbraw/zinc/80/64/09/1083806409.db2.gz ADDFROFWTBRCKU-XJKSGUPXSA-N 0 3 324.428 2.081 20 30 DEEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CC2(CC(O)C2)C1 ZINC001277226137 1083854586 /nfs/dbraw/zinc/85/45/86/1083854586.db2.gz RFMXQSVDHUHTKB-BEFAXECRSA-N 0 3 320.477 2.405 20 30 DEEDHN CCc1cc(C#N)ccc1CN1CCC[C@@]2(CN(C)CCO2)C1 ZINC001277233208 1083858854 /nfs/dbraw/zinc/85/88/54/1083858854.db2.gz KCYBVXYSGRKYFQ-LJQANCHMSA-N 0 3 313.445 2.417 20 30 DEEDHN CC#CCNC1(CNC(=O)c2sc(Cl)nc2Cl)CC1 ZINC001277252454 1083873326 /nfs/dbraw/zinc/87/33/26/1083873326.db2.gz JLUSOXKVDVLEJG-UHFFFAOYSA-N 0 3 318.229 2.325 20 30 DEEDHN CC(C)C#CC(=O)NC[C@]1(C)CN(CC2CCCCC2)CCO1 ZINC001107930062 1083904261 /nfs/dbraw/zinc/90/42/61/1083904261.db2.gz DHOJDKSHJRHUKN-LJQANCHMSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001329503864 1148905447 /nfs/dbraw/zinc/90/54/47/1148905447.db2.gz VKVZZMZIJDYADF-NXOAAHMSSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001491003902 1084001090 /nfs/dbraw/zinc/00/10/90/1084001090.db2.gz XWIMCVJPCSJVPU-PHIMTYICSA-N 0 3 314.838 2.341 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2ccc(OC)nc2)C1 ZINC001491035027 1084022565 /nfs/dbraw/zinc/02/25/65/1084022565.db2.gz WKMUKFULZZUUMG-OKILXGFUSA-N 0 3 323.824 2.012 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001491119503 1084092829 /nfs/dbraw/zinc/09/28/29/1084092829.db2.gz FWDVPLORTSUTGU-INIZCTEOSA-N 0 3 323.440 2.182 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)C3(CC)CCC3)CC2)C1 ZINC001281588171 1084116036 /nfs/dbraw/zinc/11/60/36/1084116036.db2.gz HWWZMZSWLMOEEQ-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C=CCCCCN1CC2(C1)SCC[C@@H]2C(=O)Nc1nnco1 ZINC001277789572 1084149937 /nfs/dbraw/zinc/14/99/37/1084149937.db2.gz XEINROAFUZBGMH-GFCCVEGCSA-N 0 3 322.434 2.172 20 30 DEEDHN Cc1ncsc1CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001491205298 1084152838 /nfs/dbraw/zinc/15/28/38/1084152838.db2.gz QYEWBMUMWCKFGL-GXTWGEPZSA-N 0 3 320.462 2.124 20 30 DEEDHN CCc1ccnc(C(=O)NCCNCc2ccc(C#N)s2)c1 ZINC001128015041 1084163061 /nfs/dbraw/zinc/16/30/61/1084163061.db2.gz YEXPRIJDZINYMS-UHFFFAOYSA-N 0 3 314.414 2.097 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CNCc1scnc1C ZINC001277844961 1084171699 /nfs/dbraw/zinc/17/16/99/1084171699.db2.gz IJAMICRVPNZNCG-AWEZNQCLSA-N 0 3 305.447 2.336 20 30 DEEDHN CCN1CCN(c2ccc(OC3=C(C)O[C@@H](C)C3=O)cc2)CC1 ZINC001234657055 1084189207 /nfs/dbraw/zinc/18/92/07/1084189207.db2.gz AJWGHVGFYMJFDD-ZDUSSCGKSA-N 0 3 316.401 2.427 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2nc(C)sc2C)C1 ZINC001491292836 1084217563 /nfs/dbraw/zinc/21/75/63/1084217563.db2.gz NCCUBOZREXHUCR-WFASDCNBSA-N 0 3 319.474 2.152 20 30 DEEDHN N#CC1(NC(=O)[C@]23C[C@H]2CCN3CC2CCSCC2)CCC1 ZINC001277903083 1084225655 /nfs/dbraw/zinc/22/56/55/1084225655.db2.gz NMAFWWMQHPUREU-PBHICJAKSA-N 0 3 319.474 2.156 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc[nH]c2)CC2(CCOCC2)C1 ZINC001089939844 1084236662 /nfs/dbraw/zinc/23/66/62/1084236662.db2.gz ZDLDYOAGHSQRPN-MRXNPFEDSA-N 0 3 317.433 2.192 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)NC[C@@H](O)c1cc(F)ccc1F ZINC001491411440 1084288626 /nfs/dbraw/zinc/28/86/26/1084288626.db2.gz RXFOEHVCKJLJAZ-IAQYHMDHSA-N 0 3 312.360 2.059 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001491415324 1084296686 /nfs/dbraw/zinc/29/66/86/1084296686.db2.gz PTKAUGJUQCCBJR-MNOVXSKESA-N 0 3 311.476 2.213 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3ccnn3C(C)C)C2)C1=O ZINC001272843672 1084367762 /nfs/dbraw/zinc/36/77/62/1084367762.db2.gz PUSZUGLUMXDGST-QGZVFWFLSA-N 0 3 302.422 2.074 20 30 DEEDHN CC[C@H](OC)C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001235325380 1084389012 /nfs/dbraw/zinc/38/90/12/1084389012.db2.gz JPDLNPAFAUXHBT-INIZCTEOSA-N 0 3 321.396 2.060 20 30 DEEDHN N#CCCN1CCC[C@]2(CCCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277939452 1084405161 /nfs/dbraw/zinc/40/51/61/1084405161.db2.gz SPAFFFRATYGIQI-SFHVURJKSA-N 0 3 314.433 2.379 20 30 DEEDHN N#CCCCN1CC2(C1)CCN(C(=O)c1cccc3[nH]cnc31)C2 ZINC001277942986 1084419893 /nfs/dbraw/zinc/41/98/93/1084419893.db2.gz INOHEIRMQSNTMJ-UHFFFAOYSA-N 0 3 323.400 2.015 20 30 DEEDHN N#CCCCN1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001277943576 1084423531 /nfs/dbraw/zinc/42/35/31/1084423531.db2.gz ZGVZTFSJCXSBHA-WMLDXEAASA-N 0 3 309.417 2.373 20 30 DEEDHN C=CCCC(=O)NCCCN(C)Cc1ccnc(N(C)C)c1 ZINC001235436092 1084428861 /nfs/dbraw/zinc/42/88/61/1084428861.db2.gz FKKKMKXAECWBND-UHFFFAOYSA-N 0 3 304.438 2.052 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1COc2ccccc2C1 ZINC001272898039 1084446986 /nfs/dbraw/zinc/44/69/86/1084446986.db2.gz SYGFOJVWSFVZDR-DZGCQCFKSA-N 0 3 322.836 2.475 20 30 DEEDHN COc1cnc(O[C@@H]2CCN(Cc3ccccc3CC#N)C2)nc1 ZINC001235529170 1084455613 /nfs/dbraw/zinc/45/56/13/1084455613.db2.gz XOPKCFYMTKNGBW-MRXNPFEDSA-N 0 3 324.384 2.205 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1c(C)ncn1C)C2 ZINC001235537946 1084459372 /nfs/dbraw/zinc/45/93/72/1084459372.db2.gz LCHRDJMLOADWNQ-ZWKOTPCHSA-N 0 3 319.449 2.302 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(OC)cc1Cl ZINC001277969288 1084517456 /nfs/dbraw/zinc/51/74/56/1084517456.db2.gz QVCZVXIETAXIPS-LBPRGKRZSA-N 0 3 308.809 2.422 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(OC)cc1Cl ZINC001277969286 1084517971 /nfs/dbraw/zinc/51/79/71/1084517971.db2.gz QVCZVXIETAXIPS-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN C[C@@H](CN(C)C(=O)Cc1ccco1)NCC#Cc1ccccc1 ZINC001277968420 1084529903 /nfs/dbraw/zinc/52/99/03/1084529903.db2.gz IBENVULWRCUUDS-INIZCTEOSA-N 0 3 310.397 2.310 20 30 DEEDHN C=CCCC1(C(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001078220174 1084596000 /nfs/dbraw/zinc/59/60/00/1084596000.db2.gz BZDZZAXGNNVGSJ-HNNXBMFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC1(C(=O)NCC[C@H](C)NC(=O)CN(CC)CC)CCC1 ZINC001078226083 1084609286 /nfs/dbraw/zinc/60/92/86/1084609286.db2.gz KXKYXEBHWQJLQN-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccncc2)C12CCC2 ZINC001078534829 1084728640 /nfs/dbraw/zinc/72/86/40/1084728640.db2.gz VTTHETJKPLBTHJ-KBPBESRZSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccccn2)C12CCC2 ZINC001078536781 1084729829 /nfs/dbraw/zinc/72/98/29/1084729829.db2.gz PYYICNVWUMZCGT-KGLIPLIRSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2nccn2CC)C12CCC2 ZINC001078611915 1084767597 /nfs/dbraw/zinc/76/75/97/1084767597.db2.gz QPHFJHAYKCMHJZ-OLZOCXBDSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)nn2)C12CCC2 ZINC001078622565 1084782680 /nfs/dbraw/zinc/78/26/80/1084782680.db2.gz XMUQBPVIXKGXOH-KBPBESRZSA-N 0 3 320.824 2.168 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)COCCN(Cc1ccc(C)s1)C2 ZINC001272933564 1084861660 /nfs/dbraw/zinc/86/16/60/1084861660.db2.gz DGWWSWCNOMWULK-QGZVFWFLSA-N 0 3 320.458 2.293 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2[nH]cnc2C)C12CCC2 ZINC001078833107 1084915886 /nfs/dbraw/zinc/91/58/86/1084915886.db2.gz TWCLSYZOJVHGNZ-NEPJUHHUSA-N 0 3 308.813 2.101 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1c(Cl)cncc1Cl ZINC001485919142 1084983881 /nfs/dbraw/zinc/98/38/81/1084983881.db2.gz KLPYAOJERFZFQZ-SNVBAGLBSA-N 0 3 314.216 2.462 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](OCC)C(C)C)CCC[C@@H]12 ZINC001486147287 1085090318 /nfs/dbraw/zinc/09/03/18/1085090318.db2.gz MHYRKXLVZQZQKH-LZLYRXPVSA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)n1cccn1 ZINC000960252326 1085165352 /nfs/dbraw/zinc/16/53/52/1085165352.db2.gz KMYTVTFNOQEBOT-KBRIMQKVSA-N 0 3 310.401 2.002 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cncs1 ZINC000960275993 1085177136 /nfs/dbraw/zinc/17/71/36/1085177136.db2.gz LPPQORQAXRIONL-NVXWUHKLSA-N 0 3 313.426 2.243 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1onc(C)c1C ZINC000960276203 1085177374 /nfs/dbraw/zinc/17/73/74/1085177374.db2.gz MNMMHWSULMMYLG-HZPDHXFCSA-N 0 3 311.385 2.463 20 30 DEEDHN CCCCCC(=O)N(C)C[C@H](O)CNCC#Cc1ccccc1 ZINC001486261278 1085178315 /nfs/dbraw/zinc/17/83/15/1085178315.db2.gz GJIVNNURFDHBDF-GOSISDBHSA-N 0 3 316.445 2.027 20 30 DEEDHN CCCCCC(=O)N(C)C[C@@H](O)CNCC#Cc1ccccc1 ZINC001486261279 1085178440 /nfs/dbraw/zinc/17/84/40/1085178440.db2.gz GJIVNNURFDHBDF-SFHVURJKSA-N 0 3 316.445 2.027 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(C)nn(C)c1C ZINC000960294697 1085185575 /nfs/dbraw/zinc/18/55/75/1085185575.db2.gz AZMIXVBLUPFHMG-SJLPKXTDSA-N 0 3 324.428 2.208 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC[C@H](C)O)C1 ZINC000960307223 1085189656 /nfs/dbraw/zinc/18/96/56/1085189656.db2.gz OTIGRKFZALSGQA-IAOVAPTHSA-N 0 3 314.429 2.095 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000960309641 1085191154 /nfs/dbraw/zinc/19/11/54/1085191154.db2.gz WEGSYYZSDOTIPK-SJLPKXTDSA-N 0 3 322.412 2.459 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cn(CC)cn1 ZINC000960327915 1085197972 /nfs/dbraw/zinc/19/79/72/1085197972.db2.gz VWSPPDSRGOQFPY-SJLPKXTDSA-N 0 3 324.428 2.465 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cn(CC)cn1 ZINC000960328534 1085199435 /nfs/dbraw/zinc/19/94/35/1085199435.db2.gz YWYZKSGQYCHYQA-NVXWUHKLSA-N 0 3 310.401 2.074 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCNCc2cnc(C)cn2)cc1 ZINC001272942997 1085212420 /nfs/dbraw/zinc/21/24/20/1085212420.db2.gz CHFSJZCFFRBXAJ-AWEZNQCLSA-N 0 3 322.412 2.065 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)CCCC[C@H](C)CC)C1=O ZINC001128169040 1085277836 /nfs/dbraw/zinc/27/78/36/1085277836.db2.gz ZCROQGCSBYKYJB-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960457863 1085297039 /nfs/dbraw/zinc/29/70/39/1085297039.db2.gz JJQWPIVWNSHGPJ-PBHICJAKSA-N 0 3 315.417 2.016 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)COc2cccc(C)c2)CC1 ZINC001486441059 1085324218 /nfs/dbraw/zinc/32/42/18/1085324218.db2.gz FPBVXZRWOGAQES-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN1CC=C(CNC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC001486511280 1085397157 /nfs/dbraw/zinc/39/71/57/1085397157.db2.gz DJZPTGOIBAMRIV-UHFFFAOYSA-N 0 3 324.428 2.430 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000961317222 1085686916 /nfs/dbraw/zinc/68/69/16/1085686916.db2.gz YNERFZOVKVCIEA-GJNTUIEKSA-N 0 3 310.441 2.488 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(F)cc3F)CC2)C1=O ZINC001272975001 1085753868 /nfs/dbraw/zinc/75/38/68/1085753868.db2.gz ZYURTDFWNHFGJN-UHFFFAOYSA-N 0 3 318.367 2.413 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC000966048274 1085766378 /nfs/dbraw/zinc/76/63/78/1085766378.db2.gz PSRFDVBHFLRKEU-HOCLYGCPSA-N 0 3 316.449 2.007 20 30 DEEDHN C=C(C)CCC(=O)NCCN[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC001128418472 1085774951 /nfs/dbraw/zinc/77/49/51/1085774951.db2.gz NZRUNVYTYGLJPZ-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(C)(C)C ZINC001272992899 1085827768 /nfs/dbraw/zinc/82/77/68/1085827768.db2.gz IEVITYNCCWOPRP-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(Cc4cccnc4C)C[C@H]32)C1 ZINC000961691787 1085829793 /nfs/dbraw/zinc/82/97/93/1085829793.db2.gz RPOCIRVVUOMDDG-FVQHAEBGSA-N 0 3 311.429 2.293 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cnn(C)c1C)CC2 ZINC001273019889 1085980339 /nfs/dbraw/zinc/98/03/39/1085980339.db2.gz ZZKSCKUZFVVRJI-UHFFFAOYSA-N 0 3 316.449 2.119 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CCCC2)n1 ZINC000962171377 1085991907 /nfs/dbraw/zinc/99/19/07/1085991907.db2.gz OCARFXFFKIGNAE-NHAGDIPZSA-N 0 3 301.390 2.178 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C(C)C)c1C1CC1 ZINC000962234788 1086030255 /nfs/dbraw/zinc/03/02/55/1086030255.db2.gz AJFNKLKXQAALDR-ZSHCYNCHSA-N 0 3 314.433 2.187 20 30 DEEDHN C=C1CC(C)(C(=O)NC2CC(CNCc3snnc3C)C2)C1 ZINC000962284168 1086051431 /nfs/dbraw/zinc/05/14/31/1086051431.db2.gz WGINCUUKHVXZIN-UHFFFAOYSA-N 0 3 320.462 2.187 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC000962357105 1086078726 /nfs/dbraw/zinc/07/87/26/1086078726.db2.gz QEGRUCSCOUYORK-IMRCBTMISA-N 0 3 309.413 2.343 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(C)C2CCCCC2)[C@@H](O)C1 ZINC001083845779 1086155557 /nfs/dbraw/zinc/15/55/57/1086155557.db2.gz SSAGYZWYFWJOQC-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(CC(C)C)n1 ZINC000963004520 1086295060 /nfs/dbraw/zinc/29/50/60/1086295060.db2.gz ROZFMLUSDVJVPV-JYAVWHMHSA-N 0 3 305.447 2.188 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CN(CC)CC)CC1 ZINC001078966308 1086466564 /nfs/dbraw/zinc/46/65/64/1086466564.db2.gz MZOOQVAGVYWGOG-INIZCTEOSA-N 0 3 323.481 2.134 20 30 DEEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2nnn(C)c2C)C1 ZINC001494262401 1087006696 /nfs/dbraw/zinc/00/66/96/1087006696.db2.gz OOYBSZOPQURJKZ-OAHLLOKOSA-N 0 3 321.469 2.288 20 30 DEEDHN CC(C)c1nocc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001129278797 1087085577 /nfs/dbraw/zinc/08/55/77/1087085577.db2.gz HDVFVVMWYGJLOQ-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc3c(c2)ncn3C)C1=O ZINC001273171588 1087163388 /nfs/dbraw/zinc/16/33/88/1087163388.db2.gz GTKJYTNUEAAFTH-IBGZPJMESA-N 0 3 324.428 2.326 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H](O)C1 ZINC001090330162 1087682351 /nfs/dbraw/zinc/68/23/51/1087682351.db2.gz SENMWEJBAGQZQJ-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](O)C1 ZINC001090330155 1087682453 /nfs/dbraw/zinc/68/24/53/1087682453.db2.gz SEDAXQOXYJVVOO-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001079149606 1087726319 /nfs/dbraw/zinc/72/63/19/1087726319.db2.gz BHHAPAICNMMWJF-UHOFOFEASA-N 0 3 321.371 2.229 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1c1cccc(F)c1 ZINC001079172742 1087733412 /nfs/dbraw/zinc/73/34/12/1087733412.db2.gz PZNPVZJJVIGESV-VBNZEHGJSA-N 0 3 320.433 2.094 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1c1cccc(F)c1 ZINC001079180335 1087738851 /nfs/dbraw/zinc/73/88/51/1087738851.db2.gz OEEGIOHBMYJUIY-YESZJQIVSA-N 0 3 314.404 2.389 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079263600 1087802370 /nfs/dbraw/zinc/80/23/70/1087802370.db2.gz CHZOLUNXOONOHV-IXDOHACOSA-N 0 3 320.477 2.404 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000957422224 1088276897 /nfs/dbraw/zinc/27/68/97/1088276897.db2.gz OJQBXMLWTUBXAI-UHFFFAOYSA-N 0 3 315.461 2.471 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001079724795 1088358836 /nfs/dbraw/zinc/35/88/36/1088358836.db2.gz DWXHCJFTFGDNDU-CHWSQXEVSA-N 0 3 304.438 2.333 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2nccc3ccsc32)C1 ZINC001079890730 1088490760 /nfs/dbraw/zinc/49/07/60/1088490760.db2.gz HXBYOQHNSPBRJE-TZMCWYRMSA-N 0 3 313.426 2.370 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001079955076 1088513017 /nfs/dbraw/zinc/51/30/17/1088513017.db2.gz FWFQBYCKZONNDP-RBSFLKMASA-N 0 3 316.449 2.092 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001080009655 1088563491 /nfs/dbraw/zinc/56/34/91/1088563491.db2.gz MSPFWNILLQYJHR-CKEIUWERSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1csc(C(F)(F)F)c1 ZINC000718843755 1088672255 /nfs/dbraw/zinc/67/22/55/1088672255.db2.gz QILZEMZQSLZFOS-UHFFFAOYSA-N 0 3 304.337 2.452 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(CCC)s2)C1 ZINC000958101138 1088792276 /nfs/dbraw/zinc/79/22/76/1088792276.db2.gz NAQBYPBXEAHGJV-HIFRSBDPSA-N 0 3 322.474 2.299 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001080323338 1088800472 /nfs/dbraw/zinc/80/04/72/1088800472.db2.gz LSUIUOFYLTVEBI-TZMCWYRMSA-N 0 3 303.406 2.027 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001080366135 1088883463 /nfs/dbraw/zinc/88/34/63/1088883463.db2.gz VQJXJSPOQFPOCC-QMTHXVAHSA-N 0 3 310.319 2.177 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(Cl)cc2C)C1 ZINC000958368900 1088944888 /nfs/dbraw/zinc/94/48/88/1088944888.db2.gz DTXPWBOZNJOQNV-CJNGLKHVSA-N 0 3 322.836 2.247 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC000958375024 1088947227 /nfs/dbraw/zinc/94/72/27/1088947227.db2.gz QDMMLNCROFFDNA-ZBFHGGJFSA-N 0 3 322.836 2.247 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)CCn1cccc1 ZINC001276326564 1089005261 /nfs/dbraw/zinc/00/52/61/1089005261.db2.gz ISKCKFZVVDJICN-KRWDZBQOSA-N 0 3 301.434 2.262 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001080541121 1089033870 /nfs/dbraw/zinc/03/38/70/1089033870.db2.gz FXOJVOJPCBUONE-SRCQZFHVSA-N 0 3 318.392 2.142 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001080546047 1089054313 /nfs/dbraw/zinc/05/43/13/1089054313.db2.gz DGFROZPIFDIHRL-NVXWUHKLSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC000958567874 1089065247 /nfs/dbraw/zinc/06/52/47/1089065247.db2.gz YGDOSCKHDSXSLG-MSOLQXFVSA-N 0 3 316.445 2.409 20 30 DEEDHN C=C(C)CN1C[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H](O)C1 ZINC000958696340 1089142411 /nfs/dbraw/zinc/14/24/11/1089142411.db2.gz OKQWQCFVBLIUEU-QZTJIDSGSA-N 0 3 314.429 2.163 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(COC)c2)C1 ZINC001080765851 1089178747 /nfs/dbraw/zinc/17/87/47/1089178747.db2.gz UQHWPQUOZDGEHF-CRAIPNDOSA-N 0 3 316.445 2.388 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(s2)CCOC3)C1 ZINC001080803380 1089185861 /nfs/dbraw/zinc/18/58/61/1089185861.db2.gz YYKLWYFMFOXNSO-TZMCWYRMSA-N 0 3 320.458 2.447 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001080930988 1089245869 /nfs/dbraw/zinc/24/58/69/1089245869.db2.gz ZGORYUBCZJAKOG-UKRRQHHQSA-N 0 3 316.401 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001080970666 1089258202 /nfs/dbraw/zinc/25/82/02/1089258202.db2.gz USUUQEPVUISQGM-TZMCWYRMSA-N 0 3 314.389 2.296 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001080957038 1089270292 /nfs/dbraw/zinc/27/02/92/1089270292.db2.gz RCVGVNLAUVEBJP-UKRRQHHQSA-N 0 3 302.422 2.226 20 30 DEEDHN COCC#CCNC1(CNC(=O)CC(C2CC2)C2CC2)CCC1 ZINC001273203312 1089277883 /nfs/dbraw/zinc/27/78/83/1089277883.db2.gz XDAOUWAJMDFJPJ-UHFFFAOYSA-N 0 3 318.461 2.091 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001081024836 1089284028 /nfs/dbraw/zinc/28/40/28/1089284028.db2.gz VBZHIZPOPCOKQX-ZTNFWEORSA-N 0 3 310.441 2.350 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1c1ccccc1 ZINC001081105438 1089352712 /nfs/dbraw/zinc/35/27/12/1089352712.db2.gz RYZUEICPEICUCE-RBUKOAKNSA-N 0 3 322.408 2.430 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@H](OC)C1 ZINC001081950987 1089562930 /nfs/dbraw/zinc/56/29/30/1089562930.db2.gz YUPSCLZHCCLRFA-IAGOWNOFSA-N 0 3 317.433 2.094 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2occ3c2CCC3)[C@H](OC)C1 ZINC001081986727 1089615339 /nfs/dbraw/zinc/61/53/39/1089615339.db2.gz SHHJEQAYYCZIMA-HZPDHXFCSA-N 0 3 318.417 2.164 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@H](OC)C1 ZINC001082085318 1089713463 /nfs/dbraw/zinc/71/34/63/1089713463.db2.gz YMGDKNOQGZKKTA-KZNAEPCWSA-N 0 3 314.429 2.108 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)c2cccs2)[C@H](OC)C1 ZINC001082126245 1089725269 /nfs/dbraw/zinc/72/52/69/1089725269.db2.gz AFKQNSCSHAQDQG-MGPQQGTHSA-N 0 3 308.447 2.243 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H](OC)C1 ZINC001082133988 1089734185 /nfs/dbraw/zinc/73/41/85/1089734185.db2.gz WZLCAIZXXPZLIN-HZPDHXFCSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc(OCC)c2)[C@H](OC)C1 ZINC001082179317 1089748801 /nfs/dbraw/zinc/74/88/01/1089748801.db2.gz POINOLRAZJKKNO-IAGOWNOFSA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)noc1CCC ZINC000959854917 1089796860 /nfs/dbraw/zinc/79/68/60/1089796860.db2.gz JOIJJMYIKNAHFH-VIKVFOODSA-N 0 3 303.406 2.172 20 30 DEEDHN C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CN(C)CCC ZINC001082261601 1089814611 /nfs/dbraw/zinc/81/46/11/1089814611.db2.gz WTVBRUPFYKEAQU-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN Cc1cccnc1CNC[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC000959927104 1089851579 /nfs/dbraw/zinc/85/15/79/1089851579.db2.gz ZNQDXNFHYQIVCH-CABCVRRESA-N 0 3 300.406 2.020 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@H](OC)C1 ZINC001082358421 1089878780 /nfs/dbraw/zinc/87/87/80/1089878780.db2.gz AFLQDZCLAFQVHC-HZPDHXFCSA-N 0 3 324.371 2.360 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)[C@H](OC)C1 ZINC001082384819 1089903512 /nfs/dbraw/zinc/90/35/12/1089903512.db2.gz NCRFJNBLQXWUTQ-BRWVUGGUSA-N 0 3 319.449 2.057 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001082686504 1090036916 /nfs/dbraw/zinc/03/69/16/1090036916.db2.gz WPPWSECGYMXOKD-GADXADSLSA-N 0 3 315.392 2.290 20 30 DEEDHN CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001082686916 1090037055 /nfs/dbraw/zinc/03/70/55/1090037055.db2.gz OJICMEZDBGKYNS-DJSGYFEHSA-N 0 3 321.371 2.382 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2c(C)cc(C)cc2C)[C@@H](O)C1 ZINC001084032008 1090190700 /nfs/dbraw/zinc/19/07/00/1090190700.db2.gz YYSNEHUVRJNATR-SJORKVTESA-N 0 3 316.445 2.353 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CCC(C3CC3)CC2)[C@@H](O)C1 ZINC001084010238 1090192221 /nfs/dbraw/zinc/19/22/21/1090192221.db2.gz WSHIHHNQMDDPPM-HIEASXQVSA-N 0 3 320.477 2.330 20 30 DEEDHN C(=NN[C@H]1CCCSC1)c1ccc(N2CCOCC2)cc1 ZINC001119364578 1090203291 /nfs/dbraw/zinc/20/32/91/1090203291.db2.gz ONTSTDADHMNLDK-HNNXBMFYSA-N 0 3 305.447 2.342 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cn(C)nc3C(F)F)[C@@H]2C1 ZINC001084413935 1090282285 /nfs/dbraw/zinc/28/22/85/1090282285.db2.gz NZFPPNWBTPOQLY-DGCLKSJQSA-N 0 3 324.375 2.080 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C(F)F)n(C)n3)[C@@H]2C1 ZINC001084520263 1090316409 /nfs/dbraw/zinc/31/64/09/1090316409.db2.gz OUBWRGNIGUNNCE-BXUZGUMPSA-N 0 3 324.375 2.080 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(CC)nnc3C)[C@@H]2C1 ZINC001084546260 1090323822 /nfs/dbraw/zinc/32/38/22/1090323822.db2.gz PPXXACWDTMWFDE-RHSMWYFYSA-N 0 3 314.433 2.070 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@H]3CCN([C@@H](C)COC)C[C@H]32)CC1 ZINC001084631300 1090354712 /nfs/dbraw/zinc/35/47/12/1090354712.db2.gz LYCCKFNQQCSQLC-USXIJHARSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ocnc3C3CC3)[C@@H]2C1 ZINC001084659999 1090373699 /nfs/dbraw/zinc/37/36/99/1090373699.db2.gz KVJYNXSYYQWNMO-ZIAGYGMSSA-N 0 3 301.390 2.274 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)c2ccncc2)C1 ZINC001410180978 1090384741 /nfs/dbraw/zinc/38/47/41/1090384741.db2.gz NLFADSPXTSVHIB-AULYBMBSSA-N 0 3 324.222 2.088 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc4ccccn4c3)[C@@H]2C1 ZINC001084699624 1090397269 /nfs/dbraw/zinc/39/72/69/1090397269.db2.gz XBJNOQHIYIXFQK-CRAIPNDOSA-N 0 3 307.397 2.109 20 30 DEEDHN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084853703 1090478681 /nfs/dbraw/zinc/47/86/81/1090478681.db2.gz GMQCYNHTJIFXTD-KZNAEPCWSA-N 0 3 313.445 2.008 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cccc3)C[C@@H]21 ZINC001085078175 1090631966 /nfs/dbraw/zinc/63/19/66/1090631966.db2.gz GKGFXQCNRNJIFH-KURKYZTESA-N 0 3 313.445 2.385 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1nccn1CC ZINC001085184921 1090700308 /nfs/dbraw/zinc/70/03/08/1090700308.db2.gz RDNANTRFUNIVDM-CHWSQXEVSA-N 0 3 310.829 2.286 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(CCCC)cc2)CCO1 ZINC001273283785 1090707599 /nfs/dbraw/zinc/70/75/99/1090707599.db2.gz BANIHCHDOXUOJL-SFHVURJKSA-N 0 3 314.429 2.093 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3cc(F)ccc3OC)C2)C1=O ZINC001273321259 1091036595 /nfs/dbraw/zinc/03/65/95/1091036595.db2.gz TVRANOIBDXHJGQ-SFHVURJKSA-N 0 3 318.392 2.445 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3nc4ccccc4n3C)C2)C1=O ZINC001273321779 1091040082 /nfs/dbraw/zinc/04/00/82/1091040082.db2.gz FKLVEFBBVXUDRG-LJQANCHMSA-N 0 3 324.428 2.184 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)CCO1 ZINC001273343618 1091070327 /nfs/dbraw/zinc/07/03/27/1091070327.db2.gz YEXXRBSMPCNXSO-SJORKVTESA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001273375755 1091110196 /nfs/dbraw/zinc/11/01/96/1091110196.db2.gz SOPDKVFQZYQRAP-UGAXZCSASA-N 0 3 319.493 2.383 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)C(C)(C)N(C)CC)C1 ZINC001295777776 1091255294 /nfs/dbraw/zinc/25/52/94/1091255294.db2.gz LQERSXDPWGTGLK-OAHLLOKOSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1cccc(OCC(C)C)c1 ZINC001274567594 1091302827 /nfs/dbraw/zinc/30/28/27/1091302827.db2.gz KZHFWHYGOOHMTM-WAYWQWQTSA-N 0 3 300.402 2.230 20 30 DEEDHN Cc1cccnc1CN1CCC[C@@H](NC(=O)C#CC2CC2)CC1 ZINC001273417042 1091311185 /nfs/dbraw/zinc/31/11/85/1091311185.db2.gz DFOWVMTXAARIGX-QGZVFWFLSA-N 0 3 311.429 2.274 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CCOc2ccccc2)C[C@@H]1C ZINC001274662503 1091358645 /nfs/dbraw/zinc/35/86/45/1091358645.db2.gz IWMXYJPNEXIUNQ-JKSUJKDBSA-N 0 3 300.402 2.058 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3ccnc(Cl)c3C)C2)C1=O ZINC001274718603 1091386527 /nfs/dbraw/zinc/38/65/27/1091386527.db2.gz CQMQHLCBUYOGFG-QGZVFWFLSA-N 0 3 317.820 2.101 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001274725971 1091387982 /nfs/dbraw/zinc/38/79/82/1091387982.db2.gz UNQBVSNSLOHXGJ-LBPRGKRZSA-N 0 3 301.394 2.022 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001411228830 1091442932 /nfs/dbraw/zinc/44/29/32/1091442932.db2.gz DFUFZLYAKGNVML-CABCVRRESA-N 0 3 324.428 2.435 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)c2ccc(C)o2)CC1 ZINC001274872367 1091453150 /nfs/dbraw/zinc/45/31/50/1091453150.db2.gz DRMATDQJALICIY-UHFFFAOYSA-N 0 3 319.449 2.292 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCC(=O)NC1CCCCC1 ZINC001274878027 1091459591 /nfs/dbraw/zinc/45/95/91/1091459591.db2.gz NPRXKHVIANRSER-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N(CC)CC ZINC001275003728 1091511232 /nfs/dbraw/zinc/51/12/32/1091511232.db2.gz BGSYQEQXSCYETG-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN CC(C)[C@@H](CCN(C)C(=O)C#CC1CC1)NCc1ccon1 ZINC001276122200 1091563189 /nfs/dbraw/zinc/56/31/89/1091563189.db2.gz AFUXFYSOZPLEKC-MRXNPFEDSA-N 0 3 303.406 2.051 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)no1 ZINC001275122265 1091571618 /nfs/dbraw/zinc/57/16/18/1091571618.db2.gz XKTAMNXTVTZDPZ-JTQLQIEISA-N 0 3 317.311 2.416 20 30 DEEDHN N#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)N3CCn2ccnc2)c1 ZINC001275290520 1091653964 /nfs/dbraw/zinc/65/39/64/1091653964.db2.gz PNCKMZSYJHOGID-KDURUIRLSA-N 0 3 321.428 2.104 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2cnnn2CC)CCCCC1 ZINC001276188258 1091670134 /nfs/dbraw/zinc/67/01/34/1091670134.db2.gz FYKXCWPYSDEAPE-UHFFFAOYSA-N 0 3 319.453 2.173 20 30 DEEDHN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)NCC#Cc1ccccc1 ZINC001275375215 1091696719 /nfs/dbraw/zinc/69/67/19/1091696719.db2.gz GSSPWIDUNQIBOR-LSDHHAIUSA-N 0 3 320.396 2.034 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(=O)OCC ZINC001298023901 1091716727 /nfs/dbraw/zinc/71/67/27/1091716727.db2.gz FSFFDTGNALXQIO-GJZGRUSLSA-N 0 3 310.438 2.121 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001493111741 1091732120 /nfs/dbraw/zinc/73/21/20/1091732120.db2.gz SRTJDPUORAAJMX-HOTGVXAUSA-N 0 3 304.438 2.237 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)OC3CCCC3)C[C@]2(C)C1 ZINC001092063012 1091781539 /nfs/dbraw/zinc/78/15/39/1091781539.db2.gz HNXLXSPLWQVWMN-SUMDDJOVSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCC(=O)NCCC(C)(C)C)C1 ZINC001490840271 1091848250 /nfs/dbraw/zinc/84/82/50/1091848250.db2.gz MRNMWHPFYJTWCV-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccsc1)C2 ZINC001111282467 1091927504 /nfs/dbraw/zinc/92/75/04/1091927504.db2.gz QUVPZNJYSJZFKS-YUELXQCFSA-N 0 3 306.431 2.425 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc3c2OCC3)CC1 ZINC000948788823 1091935875 /nfs/dbraw/zinc/93/58/75/1091935875.db2.gz DNYMRCVNBJZTJX-INIZCTEOSA-N 0 3 312.413 2.181 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001273591418 1091941245 /nfs/dbraw/zinc/94/12/45/1091941245.db2.gz QSMQRJUEGQPORS-CYBMUJFWSA-N 0 3 308.372 2.482 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(C)nn2CC)CC1 ZINC000948804851 1091945460 /nfs/dbraw/zinc/94/54/60/1091945460.db2.gz RVWGROXWFULHNE-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)C1=O ZINC001273639911 1091969945 /nfs/dbraw/zinc/96/99/45/1091969945.db2.gz BPYMAEQTXAAMQB-GOSISDBHSA-N 0 3 313.376 2.308 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc([O-])cn3)CC2)C1=O ZINC001273649347 1091973414 /nfs/dbraw/zinc/97/34/14/1091973414.db2.gz ZIABSDAMAJDBMI-SFHVURJKSA-N 0 3 315.417 2.178 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc([O-])cn3)CC2)C1=O ZINC001273649347 1091973425 /nfs/dbraw/zinc/97/34/25/1091973425.db2.gz ZIABSDAMAJDBMI-SFHVURJKSA-N 0 3 315.417 2.178 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccc(OC)cn3)C2)C1=O ZINC001273666068 1091983451 /nfs/dbraw/zinc/98/34/51/1091983451.db2.gz OEKJSDRXYCXLBZ-SFHVURJKSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc(OC)cc1Cl ZINC001273668269 1091984309 /nfs/dbraw/zinc/98/43/09/1091984309.db2.gz OBUXFRIRQMYOOZ-UHFFFAOYSA-N 0 3 308.809 2.424 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(F)cc3OC)C2)C1=O ZINC001273769129 1092042860 /nfs/dbraw/zinc/04/28/60/1092042860.db2.gz BDOMRSVACHJTPH-SFHVURJKSA-N 0 3 318.392 2.445 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2csc(CC)n2)CC1 ZINC001006439787 1092047870 /nfs/dbraw/zinc/04/78/70/1092047870.db2.gz RXEOUHLKVQYHAS-UHFFFAOYSA-N 0 3 307.463 2.357 20 30 DEEDHN N#Cc1ccc(F)cc1C(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001275753041 1092080933 /nfs/dbraw/zinc/08/09/33/1092080933.db2.gz LEQYNEHPUALJRC-UHFFFAOYSA-N 0 3 313.376 2.398 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C(C)(C)C=C)CC2)C1 ZINC000949433511 1092143263 /nfs/dbraw/zinc/14/32/63/1092143263.db2.gz XODFOHPMOFVYEJ-UHFFFAOYSA-N 0 3 306.450 2.468 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001273886820 1092478990 /nfs/dbraw/zinc/47/89/90/1092478990.db2.gz ZZIGUFCSYMPCQX-HKUYNNGSSA-N 0 3 318.461 2.089 20 30 DEEDHN CC(C)(C)C(=O)CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001273947631 1092531672 /nfs/dbraw/zinc/53/16/72/1092531672.db2.gz LHFMNKNZFIEYDU-SFHVURJKSA-N 0 3 319.449 2.362 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001488681333 1092682837 /nfs/dbraw/zinc/68/28/37/1092682837.db2.gz QRUAUVACHSQBHH-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccnc(C)n1 ZINC001488694307 1092691576 /nfs/dbraw/zinc/69/15/76/1092691576.db2.gz UUCHPLSGZAGURS-ZFWWWQNUSA-N 0 3 302.422 2.286 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001488759707 1092735217 /nfs/dbraw/zinc/73/52/17/1092735217.db2.gz AJMVOBLDPFZNQM-BNOWGMLFSA-N 0 3 319.453 2.261 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)CCCF)C1 ZINC001488761237 1092736518 /nfs/dbraw/zinc/73/65/18/1092736518.db2.gz PZBPYKQKLBGERW-PHIMTYICSA-N 0 3 307.207 2.129 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001488792742 1092772781 /nfs/dbraw/zinc/77/27/81/1092772781.db2.gz ODUSPUBULDHCBU-PHIMTYICSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@H](C)CC)C1 ZINC001489376288 1093037688 /nfs/dbraw/zinc/03/76/88/1093037688.db2.gz NQCXMWYXKRANNY-OIKLOGQESA-N 0 3 303.244 2.426 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccn(-c2ccccc2)n1)C1CC1 ZINC001490379624 1093334701 /nfs/dbraw/zinc/33/47/01/1093334701.db2.gz RJOIWAXGBQGBPW-UHFFFAOYSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccccc1-n1cccn1)C1CC1 ZINC001490385786 1093339086 /nfs/dbraw/zinc/33/90/86/1093339086.db2.gz BZDQSOOWMGHYPN-UHFFFAOYSA-N 0 3 322.412 2.090 20 30 DEEDHN CO[C@@H](CN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1)C1CCC1 ZINC001490437217 1093382110 /nfs/dbraw/zinc/38/21/10/1093382110.db2.gz QHFCMFJHMQPJNF-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C/C(C)=C/CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001490600890 1093424821 /nfs/dbraw/zinc/42/48/21/1093424821.db2.gz NEIOOIQYZYRHCP-DYFCPDHGSA-N 0 3 316.445 2.129 20 30 DEEDHN O=C(C#CC1CC1)NC[C@@H](NCc1ccc(F)cc1F)C1CC1 ZINC001490662716 1093471543 /nfs/dbraw/zinc/47/15/43/1093471543.db2.gz WIAJIOPNDFKAAP-QGZVFWFLSA-N 0 3 318.367 2.363 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC001649167389 1093732578 /nfs/dbraw/zinc/73/25/78/1093732578.db2.gz IFUUMXZZKJGHPI-UONOGXRCSA-N 0 3 322.368 2.188 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc(CC)n3)CC2)C1=O ZINC001274016154 1093765863 /nfs/dbraw/zinc/76/58/63/1093765863.db2.gz FASWTFVZRVLSRW-UHFFFAOYSA-N 0 3 311.429 2.092 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3cc(C)c[nH]c3=O)CC2)C1=O ZINC001274093254 1093796567 /nfs/dbraw/zinc/79/65/67/1093796567.db2.gz WKYMFLPTSLZRHJ-UHFFFAOYSA-N 0 3 315.417 2.096 20 30 DEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cnn3ccccc13)CC2 ZINC001274101571 1093799024 /nfs/dbraw/zinc/79/90/24/1093799024.db2.gz FRHYLAYMSGYKEI-MRXNPFEDSA-N 0 3 324.428 2.239 20 30 DEEDHN CN1CC[C@@]2(CCN(Cc3ccc(Cl)c(C#N)c3)C2)C1=O ZINC001274141171 1093816702 /nfs/dbraw/zinc/81/67/02/1093816702.db2.gz NAAIYLMHZLMYQH-INIZCTEOSA-N 0 3 303.793 2.266 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3sncc3C)CC2)C1=O ZINC001274141926 1093818355 /nfs/dbraw/zinc/81/83/55/1093818355.db2.gz XFQOBLGEWVPPOA-UHFFFAOYSA-N 0 3 305.447 2.452 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1NCC#Cc1ccccc1 ZINC001274164254 1093829499 /nfs/dbraw/zinc/82/94/99/1093829499.db2.gz JDHUVXIIAXUNDM-APWZRJJASA-N 0 3 319.408 2.183 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cccn1 ZINC001691717213 1138211111 /nfs/dbraw/zinc/21/11/11/1138211111.db2.gz GVSKKPZJKXAQQF-DZGCQCFKSA-N 0 3 324.856 2.242 20 30 DEEDHN C[C@H](CN1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1)c1ccccc1 ZINC001277986033 1138379023 /nfs/dbraw/zinc/37/90/23/1138379023.db2.gz QLRWJDUYUJRYEU-CRAIPNDOSA-N 0 3 323.440 2.484 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1coc(-c2ccccc2)n1 ZINC001277987318 1138380930 /nfs/dbraw/zinc/38/09/30/1138380930.db2.gz HTBDPIHVPBBTCC-AWEZNQCLSA-N 0 3 311.385 2.415 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001278001569 1138401135 /nfs/dbraw/zinc/40/11/35/1138401135.db2.gz BFKYHSQYYIXDHH-INIZCTEOSA-N 0 3 302.418 2.003 20 30 DEEDHN C#C[C@@H]1CCCN(Cc2ccc(F)c(N3CCN(C)CC3)c2)C1 ZINC001236974019 1138472451 /nfs/dbraw/zinc/47/24/51/1138472451.db2.gz OUIMLHLMELIBDK-MRXNPFEDSA-N 0 3 315.436 2.423 20 30 DEEDHN CCN(CCN1CCOCC1)Cc1cc(Cl)cc(C#N)c1 ZINC001237752380 1138781551 /nfs/dbraw/zinc/78/15/51/1138781551.db2.gz VFEGZVHUTJSXFJ-UHFFFAOYSA-N 0 3 307.825 2.366 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)NCc2ccccc2CC)C1 ZINC001278148410 1138795628 /nfs/dbraw/zinc/79/56/28/1138795628.db2.gz UOLPNAAUVJWMDW-QGZVFWFLSA-N 0 3 316.445 2.172 20 30 DEEDHN N#CC1(NC(=O)[C@H]2CC23CN(CCc2ccccc2)C3)CCC1 ZINC001278169044 1138812741 /nfs/dbraw/zinc/81/27/41/1138812741.db2.gz ZDIDKWCDFZQOSQ-MRXNPFEDSA-N 0 3 309.413 2.113 20 30 DEEDHN C#CCN(C(=O)CCCCC(C)C)C1CCN(CCO)CC1 ZINC001278188892 1138823396 /nfs/dbraw/zinc/82/33/96/1138823396.db2.gz ZCLXBQMELLFHJX-UHFFFAOYSA-N 0 3 308.466 2.121 20 30 DEEDHN CCOc1cc(CN2CCC3SC(=O)C=C3C2)c(F)cn1 ZINC001238722593 1138868977 /nfs/dbraw/zinc/86/89/77/1138868977.db2.gz AHTLBBQBERJNOT-CYBMUJFWSA-N 0 3 308.378 2.394 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CCN(C(=O)CN(C)CCC)CC1 ZINC001293784551 1139038022 /nfs/dbraw/zinc/03/80/22/1139038022.db2.gz HUPKXWWUEAHYRU-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C1CCC(C(=O)NCCCN(C)C(=O)CN(C)C(C)C)CC1 ZINC001294294956 1139117810 /nfs/dbraw/zinc/11/78/10/1139117810.db2.gz OCIKUVKCFSQNMB-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1ncc(C#N)c(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC001240390089 1139355910 /nfs/dbraw/zinc/35/59/10/1139355910.db2.gz VGFMBBNTZASRTI-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN Cc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)n(C)n1 ZINC001240857619 1139662004 /nfs/dbraw/zinc/66/20/04/1139662004.db2.gz JHFLGHIBYZYXRC-LLVKDONJSA-N 0 3 313.361 2.134 20 30 DEEDHN COC(=O)[C@@H](C[NH3+])Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242566899 1140001485 /nfs/dbraw/zinc/00/14/85/1140001485.db2.gz MYPHLRJTPPBRSZ-MRXNPFEDSA-N 0 3 310.353 2.221 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)C3(CCCC)CC3)CC2)C1 ZINC001278350339 1140009656 /nfs/dbraw/zinc/00/96/56/1140009656.db2.gz UPLMFLDKNMBPFO-QGZVFWFLSA-N 0 3 319.493 2.361 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)CCCc2ccccc2Cl)C1 ZINC001491729527 1140289079 /nfs/dbraw/zinc/28/90/79/1140289079.db2.gz RHTRXKSEUAGKOU-HNNXBMFYSA-N 0 3 304.821 2.486 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001318415337 1140322183 /nfs/dbraw/zinc/32/21/83/1140322183.db2.gz XZFQZFFCHLYLHM-SJORKVTESA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2(C)CC(F)(F)C2)C1 ZINC001318441688 1140330192 /nfs/dbraw/zinc/33/01/92/1140330192.db2.gz HPWFWPRMKFWENZ-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001318482809 1140345913 /nfs/dbraw/zinc/34/59/13/1140345913.db2.gz LVZKWVYAFGJFKR-OAHLLOKOSA-N 0 3 320.383 2.453 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)NCc1cc(C)ns1 ZINC001318576886 1140367986 /nfs/dbraw/zinc/36/79/86/1140367986.db2.gz OZOHAEWSGJIJJB-CFVMTHIKSA-N 0 3 323.462 2.027 20 30 DEEDHN CC(C)C#CC(=O)NC1(CNCc2ccns2)CCCC1 ZINC001318632946 1140376299 /nfs/dbraw/zinc/37/62/99/1140376299.db2.gz RHSWGDTWXCZJSM-UHFFFAOYSA-N 0 3 305.447 2.321 20 30 DEEDHN CCO[C@H](CC)C(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001480435450 1151804143 /nfs/dbraw/zinc/80/41/43/1151804143.db2.gz SSHRJXKZVVRZNW-BLLLJJGKSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cnnc(C)c2)C1 ZINC001318788138 1140416487 /nfs/dbraw/zinc/41/64/87/1140416487.db2.gz JMVLBLHNMWDRCG-CQSZACIVSA-N 0 3 322.840 2.369 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)CCc2cncc(C)c2)cc1 ZINC001318998926 1140488841 /nfs/dbraw/zinc/48/88/41/1140488841.db2.gz OEFHUXDQOFONJC-UHFFFAOYSA-N 0 3 321.424 2.362 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNCc2cc3n(n2)CCC3)C1 ZINC001319238389 1140531926 /nfs/dbraw/zinc/53/19/26/1140531926.db2.gz TZIOFOGVSABVSY-AWEZNQCLSA-N 0 3 316.449 2.028 20 30 DEEDHN C=CCOCC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001319345050 1140554913 /nfs/dbraw/zinc/55/49/13/1140554913.db2.gz WGCWCQKRPWRTIW-UHFFFAOYSA-N 0 3 318.417 2.227 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC1(C)CCCC1 ZINC001319450894 1140578804 /nfs/dbraw/zinc/57/88/04/1140578804.db2.gz BQDBQIOGRYDLBL-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1cncc(CNC[C@H](C)N(C)C(=O)C#CC(C)(C)C)c1 ZINC001319453387 1140579896 /nfs/dbraw/zinc/57/98/96/1140579896.db2.gz HMCVHYPCLMCAOK-HNNXBMFYSA-N 0 3 301.434 2.376 20 30 DEEDHN Cc1ncccc1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001319525057 1140608716 /nfs/dbraw/zinc/60/87/16/1140608716.db2.gz ZYFKGXVRGQBAHV-INIZCTEOSA-N 0 3 321.424 2.492 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N(C)C(C)C)C1 ZINC001319527563 1140610070 /nfs/dbraw/zinc/61/00/70/1140610070.db2.gz IRJQSMDKRXCGMW-HUUCEWRRSA-N 0 3 323.481 2.035 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CC12CC2 ZINC001319538593 1140612251 /nfs/dbraw/zinc/61/22/51/1140612251.db2.gz UMYHDAMGORWBFZ-PBHICJAKSA-N 0 3 314.404 2.414 20 30 DEEDHN C#Cc1ccccc1CC(=O)N(C)[C@H](C)CNC[C@H](F)CC ZINC001319577769 1140619819 /nfs/dbraw/zinc/61/98/19/1140619819.db2.gz RSYNUMHXJDFAKI-RHSMWYFYSA-N 0 3 304.409 2.395 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001319723526 1140686667 /nfs/dbraw/zinc/68/66/67/1140686667.db2.gz LYDHAOGJSQQYCT-CQSZACIVSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)COc1cc(C)ccc1F ZINC001320000596 1140811310 /nfs/dbraw/zinc/81/13/10/1140811310.db2.gz UZPGUQIILUZUER-UHFFFAOYSA-N 0 3 308.397 2.479 20 30 DEEDHN COCC#CCN1CC[C@H]2CN(C(=O)C(C)=C3CCC3)CC[C@H]21 ZINC001320102343 1140821859 /nfs/dbraw/zinc/82/18/59/1140821859.db2.gz FVXIPQUJBMNYSC-ZWKOTPCHSA-N 0 3 316.445 2.059 20 30 DEEDHN C=CCO[C@H]1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC001320320788 1140849012 /nfs/dbraw/zinc/84/90/12/1140849012.db2.gz JEOBMWYDSNYVHE-KRWDZBQOSA-N 0 3 316.401 2.495 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1cc[nH]c1 ZINC001320431657 1140865051 /nfs/dbraw/zinc/86/50/51/1140865051.db2.gz QIYVIPIXFLTEGE-JTQLQIEISA-N 0 3 300.200 2.021 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COc2ccc(Cl)cc2)C1 ZINC001278437871 1140876896 /nfs/dbraw/zinc/87/68/96/1140876896.db2.gz JUVASCLVIJLWJO-QGZVFWFLSA-N 0 3 320.820 2.323 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)[C@H](OC)C(C)C ZINC001320542008 1140877164 /nfs/dbraw/zinc/87/71/64/1140877164.db2.gz CMMWVSZOOYFBCA-NWDGAFQWSA-N 0 3 321.259 2.050 20 30 DEEDHN Cc1nn(C)c(C)c1[C@@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC001474749284 1140895979 /nfs/dbraw/zinc/89/59/79/1140895979.db2.gz DXTJNYJGOPNDTE-HFCFLWKCSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1cc(Cl)c(Cl)n1C ZINC001320751727 1140907132 /nfs/dbraw/zinc/90/71/32/1140907132.db2.gz AQXNVLCRKMJTIV-UHFFFAOYSA-N 0 3 302.205 2.017 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)COC3CCCCC3)CCC[C@@H]12 ZINC001278453422 1140929079 /nfs/dbraw/zinc/92/90/79/1140929079.db2.gz UKNGEJFUGKNBLK-IEBWSBKVSA-N 0 3 318.461 2.472 20 30 DEEDHN C=CCOCC(=O)NC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC001320998284 1141024218 /nfs/dbraw/zinc/02/42/18/1141024218.db2.gz OBSDOMIGCKOTSF-REMYHPOOSA-N 0 3 318.392 2.278 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C/CNCc1cc(F)ccc1C ZINC001321037969 1141036395 /nfs/dbraw/zinc/03/63/95/1141036395.db2.gz AZLNVALHKKVBLK-DUMMIQTOSA-N 0 3 320.408 2.223 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)c1cc(Cl)ccc1F ZINC001321146012 1141067149 /nfs/dbraw/zinc/06/71/49/1141067149.db2.gz QUILADSOVWZPGN-NSCUHMNNSA-N 0 3 324.783 2.005 20 30 DEEDHN C=CCCC(=O)N1CC[C@@](C)(CNCc2ccn(CC)n2)C1 ZINC001278469924 1141096763 /nfs/dbraw/zinc/09/67/63/1141096763.db2.gz OLSGNRXJSSXXJL-KRWDZBQOSA-N 0 3 304.438 2.197 20 30 DEEDHN COc1c(F)cc(CNC[C@@H](C)NC(=O)C#CC(C)C)cc1F ZINC001321510571 1141297016 /nfs/dbraw/zinc/29/70/16/1141297016.db2.gz GNMONTAQNKJJCE-GFCCVEGCSA-N 0 3 324.371 2.227 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC001321731866 1141334762 /nfs/dbraw/zinc/33/47/62/1141334762.db2.gz MQNKVXRDFQXBGB-OAHLLOKOSA-N 0 3 310.397 2.198 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC1CCCC1 ZINC001322003572 1141379296 /nfs/dbraw/zinc/37/92/96/1141379296.db2.gz ZLWIANLTDPHRTC-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)Cc1ccco1 ZINC001322022925 1141382742 /nfs/dbraw/zinc/38/27/42/1141382742.db2.gz IWMDCOBZLPCJSR-AWEZNQCLSA-N 0 3 314.360 2.107 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1c(C)cc(C)nc1C ZINC001322211099 1141465544 /nfs/dbraw/zinc/46/55/44/1141465544.db2.gz UDIYNCVPBBIISM-HNNXBMFYSA-N 0 3 319.449 2.260 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cc2c(s1)CCC2 ZINC001322293247 1141504616 /nfs/dbraw/zinc/50/46/16/1141504616.db2.gz LWGBRBQNIKSSPC-CYBMUJFWSA-N 0 3 322.474 2.490 20 30 DEEDHN CN(CCCNCc1cc(C#N)ccc1F)C(=O)[C@@H]1CC12CC2 ZINC001322710733 1141692251 /nfs/dbraw/zinc/69/22/51/1141692251.db2.gz KKIBHMIZHSCLQE-HNNXBMFYSA-N 0 3 315.392 2.436 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)NCC(CC)(CC)CC)CC1 ZINC001322803129 1141721947 /nfs/dbraw/zinc/72/19/47/1141721947.db2.gz YJCIDISEFWJOSO-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@H]2CCN2CCC)cc1 ZINC001323226034 1141829358 /nfs/dbraw/zinc/82/93/58/1141829358.db2.gz LZDJRGCFAVNXJV-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001323307761 1141840397 /nfs/dbraw/zinc/84/03/97/1141840397.db2.gz GLXHCQQAYPFNFQ-WBVHZDCISA-N 0 3 318.392 2.286 20 30 DEEDHN COCC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001323638708 1141872649 /nfs/dbraw/zinc/87/26/49/1141872649.db2.gz UQSYWDYFCKMEEU-HZPDHXFCSA-N 0 3 324.440 2.087 20 30 DEEDHN CC1(NC(=O)CSCC#N)CCN(CCC(F)(F)F)CC1 ZINC001324296128 1142050769 /nfs/dbraw/zinc/05/07/69/1142050769.db2.gz OCSCQSHWCRSEOZ-UHFFFAOYSA-N 0 3 323.384 2.166 20 30 DEEDHN CN1CCC(n2cc(CC(=O)c3cccc(C#N)c3)cn2)CC1 ZINC001250287728 1142132517 /nfs/dbraw/zinc/13/25/17/1142132517.db2.gz JCNWQELVXAIHEH-UHFFFAOYSA-N 0 3 308.385 2.447 20 30 DEEDHN N=C(NC[C@H](O)COc1ccc(Cl)cc1)c1ccc(F)cn1 ZINC001250684710 1142266366 /nfs/dbraw/zinc/26/63/66/1142266366.db2.gz YFFTUNRBQFAXFY-LBPRGKRZSA-N 0 3 323.755 2.019 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](N[C@@H](C)c2n[nH]c(CC)n2)C(C)(C)C1 ZINC001278630667 1142380256 /nfs/dbraw/zinc/38/02/56/1142380256.db2.gz LZZWGTCNTOUMFG-QWHCGFSZSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001336449722 1142474408 /nfs/dbraw/zinc/47/44/08/1142474408.db2.gz MOAVPLCEPATBEE-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC001252621094 1142792662 /nfs/dbraw/zinc/79/26/62/1142792662.db2.gz WDXMPOCOLDAEQW-ROUUACIJSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC[C@H](O)CNCc1cncn1Cc1ccc(OC)cc1 ZINC001252621525 1142793797 /nfs/dbraw/zinc/79/37/97/1142793797.db2.gz DPQVSOGORCHEGN-KRWDZBQOSA-N 0 3 315.417 2.357 20 30 DEEDHN COc1ccc(OC[C@@H](O)CNCc2ccc(C#N)s2)cc1 ZINC001252739255 1142813300 /nfs/dbraw/zinc/81/33/00/1142813300.db2.gz XEGHFZCINWIVMA-LBPRGKRZSA-N 0 3 318.398 2.158 20 30 DEEDHN COc1ccc(OC[C@@H](O)CNCc2csc(C#N)c2)cc1 ZINC001252738498 1142813387 /nfs/dbraw/zinc/81/33/87/1142813387.db2.gz VJQGFSBLSPPUIS-ZDUSSCGKSA-N 0 3 318.398 2.158 20 30 DEEDHN N#CC1(NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCCCC1 ZINC001252944698 1142832597 /nfs/dbraw/zinc/83/25/97/1142832597.db2.gz USKWAZBFFMJAHB-IBGZPJMESA-N 0 3 313.445 2.439 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001278693026 1142840297 /nfs/dbraw/zinc/84/02/97/1142840297.db2.gz DOFNOZIXPKHJPU-FUHWJXTLSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCn1c(Nc2ccn(CC)n2)nnc1[C@H]1CCCN(C)C1 ZINC001338692446 1142871313 /nfs/dbraw/zinc/87/13/13/1142871313.db2.gz AVJPZFCGDVSLPH-ZDUSSCGKSA-N 0 3 315.425 2.233 20 30 DEEDHN C=C[C@@H](O)CN1CC[C@H]2C[C@@H](c3ccnc(C(C)C)n3)O[C@@H]2C1 ZINC001253576839 1142881652 /nfs/dbraw/zinc/88/16/52/1142881652.db2.gz PDTCOGBRFOWQGC-HDEZJCGLSA-N 0 3 317.433 2.299 20 30 DEEDHN C=C[C@@H](O)CNCc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001253606482 1142883732 /nfs/dbraw/zinc/88/37/32/1142883732.db2.gz IGSSJEKITIBPMW-OAHLLOKOSA-N 0 3 312.348 2.172 20 30 DEEDHN CC(C)(C)C#CCNC[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253661850 1142888503 /nfs/dbraw/zinc/88/85/03/1142888503.db2.gz RAMLQDUVFAQQNQ-SFHVURJKSA-N 0 3 303.402 2.120 20 30 DEEDHN C#CCN(C(=O)c1ccnn1[C@H](C)CC)C1CCN(C)CC1 ZINC001339048422 1142908256 /nfs/dbraw/zinc/90/82/56/1142908256.db2.gz DZPKFGXBRIYFHM-CQSZACIVSA-N 0 3 302.422 2.024 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@@H](C#N)C1 ZINC001339068277 1142911813 /nfs/dbraw/zinc/91/18/13/1142911813.db2.gz KVPMMBGCGUDLPS-LSDHHAIUSA-N 0 3 314.437 2.013 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC001339909196 1143172937 /nfs/dbraw/zinc/17/29/37/1143172937.db2.gz PMFPEIOCCVBEBW-WFASDCNBSA-N 0 3 315.417 2.066 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)CCc2cccc(Cl)c2)C1 ZINC001278795963 1143265572 /nfs/dbraw/zinc/26/55/72/1143265572.db2.gz VECCLXMVPOAYLO-KRWDZBQOSA-N 0 3 322.836 2.012 20 30 DEEDHN N#CCCN1CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254629181 1143289459 /nfs/dbraw/zinc/28/94/59/1143289459.db2.gz YXZRYBBHBWMXOC-UHFFFAOYSA-N 0 3 316.424 2.326 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)C1 ZINC001254678204 1143309918 /nfs/dbraw/zinc/30/99/18/1143309918.db2.gz ZGYMNNKLLMXDPS-FRFSOERESA-N 0 3 313.401 2.321 20 30 DEEDHN C=CCn1c(CC(F)F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001340443792 1143347817 /nfs/dbraw/zinc/34/78/17/1143347817.db2.gz HLRNARZSWKVUAS-RYUDHWBXSA-N 0 3 313.396 2.191 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(OC)cc1OC ZINC001353211622 1151817130 /nfs/dbraw/zinc/81/71/30/1151817130.db2.gz HMHHLHAJFZVZNJ-OAHLLOKOSA-N 0 3 306.406 2.046 20 30 DEEDHN C=CCn1c(N2CCN([C@@H](C)CC)CC2)nnc1[C@@](C)(O)CC ZINC001340528438 1143365689 /nfs/dbraw/zinc/36/56/89/1143365689.db2.gz BZCXLLAQYVYQIT-YOEHRIQHSA-N 0 3 321.469 2.002 20 30 DEEDHN N#Cc1ccc(N2CCN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254954901 1143370759 /nfs/dbraw/zinc/37/07/59/1143370759.db2.gz VSLXSWWJVLGNRA-HOTGVXAUSA-N 0 3 309.413 2.438 20 30 DEEDHN CC[C@H](CC#N)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255152436 1143448371 /nfs/dbraw/zinc/44/83/71/1143448371.db2.gz STHZXODHTCVMBD-OAHLLOKOSA-N 0 3 324.469 2.211 20 30 DEEDHN CC[C@H](CC#N)NCc1ccccc1CN1CCN(C)CC1 ZINC001255152766 1143449765 /nfs/dbraw/zinc/44/97/65/1143449765.db2.gz ATRWXJLKTYLPIB-GOSISDBHSA-N 0 3 300.450 2.216 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)CC(=O)NCCC1=CCCCC1 ZINC001341287619 1143577903 /nfs/dbraw/zinc/57/79/03/1143577903.db2.gz GNFGEKAUHYNOEV-MRXNPFEDSA-N 0 3 321.465 2.135 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC001341582360 1143632387 /nfs/dbraw/zinc/63/23/87/1143632387.db2.gz VRNYWQBHLNIMCK-GJZGRUSLSA-N 0 3 301.390 2.260 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([S@](C)(=O)=NC)c1 ZINC001341606394 1143638428 /nfs/dbraw/zinc/63/84/28/1143638428.db2.gz BRWLMUFQSAHVPH-QKKBWIMNSA-N 0 3 309.435 2.395 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C)cc1OC ZINC001341614530 1143639663 /nfs/dbraw/zinc/63/96/63/1143639663.db2.gz GWPUCCXLCWPEJT-ZDUSSCGKSA-N 0 3 319.405 2.019 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC001341774773 1143702495 /nfs/dbraw/zinc/70/24/95/1143702495.db2.gz CVUIILZZOFZRTN-MRXNPFEDSA-N 0 3 323.481 2.310 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCc1nc2c(s1)CCCC2 ZINC001341968086 1143756474 /nfs/dbraw/zinc/75/64/74/1143756474.db2.gz RPHWNXJEEAKYTJ-NSHDSACASA-N 0 3 306.435 2.049 20 30 DEEDHN C=CCCC(C)(C)NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001342265838 1143807517 /nfs/dbraw/zinc/80/75/17/1143807517.db2.gz RYXAPLVNELEXNS-AWEZNQCLSA-N 0 3 315.417 2.373 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cccnc1OC)C(C)C ZINC001278917821 1143833669 /nfs/dbraw/zinc/83/36/69/1143833669.db2.gz JSBCOFRUJWVSNV-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cccc(OC)n1)C(C)C ZINC001278926763 1143841416 /nfs/dbraw/zinc/84/14/16/1143841416.db2.gz YECINXGDJDSODA-UHFFFAOYSA-N 0 3 305.422 2.449 20 30 DEEDHN CCCCOC(=O)CC[C@@H](C)N[C@@H](CC(C)C)C(=O)NO ZINC001257391568 1143904723 /nfs/dbraw/zinc/90/47/23/1143904723.db2.gz PVDGSFVGPIGKHY-OLZOCXBDSA-N 0 3 302.415 2.008 20 30 DEEDHN C#CCCN(CCNC(=O)C12CCC(CC1)CC2)CCOC ZINC001279055796 1143957821 /nfs/dbraw/zinc/95/78/21/1143957821.db2.gz ANONPAKABLPVKQ-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CCC(CC)N1CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC001259128244 1144068368 /nfs/dbraw/zinc/06/83/68/1144068368.db2.gz LPRDJSAPHKVJCL-AWEZNQCLSA-N 0 3 321.446 2.099 20 30 DEEDHN C=CCCN1CCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001261283020 1144230568 /nfs/dbraw/zinc/23/05/68/1144230568.db2.gz CFTQXAHKMUNZML-HNNXBMFYSA-N 0 3 304.438 2.117 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCOc1ccc2c(c1)CCC2 ZINC001262006992 1144285782 /nfs/dbraw/zinc/28/57/82/1144285782.db2.gz PCZYCSJLROQDHJ-OAHLLOKOSA-N 0 3 308.809 2.140 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1OC ZINC001262653081 1144324786 /nfs/dbraw/zinc/32/47/86/1144324786.db2.gz YVRWVUGSGSGVSA-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCSC[C@@H]1C ZINC001262941734 1144343546 /nfs/dbraw/zinc/34/35/46/1144343546.db2.gz SJEOBXDOHKBEAN-KBPBESRZSA-N 0 3 321.494 2.215 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001262952617 1144344521 /nfs/dbraw/zinc/34/45/21/1144344521.db2.gz YBIMNGGJOOMCCY-HUUCEWRRSA-N 0 3 316.453 2.229 20 30 DEEDHN C=CC[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1ccncc1 ZINC001263100672 1144355445 /nfs/dbraw/zinc/35/54/45/1144355445.db2.gz UOHBDUJMMUEIBS-UONOGXRCSA-N 0 3 311.389 2.119 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(CCOC(C)=O)c1 ZINC001263115939 1144356842 /nfs/dbraw/zinc/35/68/42/1144356842.db2.gz JDOGUJNIFJAXNE-INIZCTEOSA-N 0 3 304.390 2.414 20 30 DEEDHN C=C(C)Cn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)O ZINC001263309574 1144367745 /nfs/dbraw/zinc/36/77/45/1144367745.db2.gz NVYFIFXZQHAOMI-KGLIPLIRSA-N 0 3 321.469 2.001 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)ccc1N(C)C ZINC001263346396 1144371119 /nfs/dbraw/zinc/37/11/19/1144371119.db2.gz NMOFMYMCTDUWSD-IUODEOHRSA-N 0 3 320.412 2.480 20 30 DEEDHN C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)C(=C)C)n1 ZINC001264027077 1144442682 /nfs/dbraw/zinc/44/26/82/1144442682.db2.gz VHPRBYQJNKVXMB-UHFFFAOYSA-N 0 3 318.421 2.066 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)CCCOC)CC(C)(C)C1 ZINC001264196688 1144506092 /nfs/dbraw/zinc/50/60/92/1144506092.db2.gz JLNURDKIUVLUSA-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccc(OC)nc1 ZINC001264364631 1144513839 /nfs/dbraw/zinc/51/38/39/1144513839.db2.gz GZEFOKSRXSZFBJ-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)COCCC)C1 ZINC001264442152 1144540814 /nfs/dbraw/zinc/54/08/14/1144540814.db2.gz NBAPKQOEKYWEHE-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1CC ZINC001264613090 1144577963 /nfs/dbraw/zinc/57/79/63/1144577963.db2.gz XJPNTGFSGOQHPH-LSDHHAIUSA-N 0 3 312.429 2.440 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cccc(C)c2C)C1 ZINC001264636312 1144583488 /nfs/dbraw/zinc/58/34/88/1144583488.db2.gz QUOVOGVYPBDELQ-KRWDZBQOSA-N 0 3 316.445 2.388 20 30 DEEDHN CCO[C@@H](CN1CCC[C@H](NC(=O)C#CC(C)C)C1)C1CC1 ZINC001265213337 1144668356 /nfs/dbraw/zinc/66/83/56/1144668356.db2.gz PWSSXWBBRQUOGG-IRXDYDNUSA-N 0 3 306.450 2.042 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCN(CCC[C@@H]2CCOC2)C1 ZINC001265213546 1144668386 /nfs/dbraw/zinc/66/83/86/1144668386.db2.gz UMYZFSRAHPWIPO-IAGOWNOFSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001265312910 1144690461 /nfs/dbraw/zinc/69/04/61/1144690461.db2.gz XEGKERUERBSCFE-FGTMMUONSA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001265312296 1144690907 /nfs/dbraw/zinc/69/09/07/1144690907.db2.gz LGARAOHISQJLFL-HUUCEWRRSA-N 0 3 306.406 2.166 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(CC)CCOCC2)CC1 ZINC001265333917 1144695040 /nfs/dbraw/zinc/69/50/40/1144695040.db2.gz GSBBRQIPFSFXQL-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)Cc2ccco2)CC1 ZINC001265334168 1144695135 /nfs/dbraw/zinc/69/51/35/1144695135.db2.gz LIEDPWPFAJPXFW-GDBMZVCRSA-N 0 3 300.402 2.062 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](CN(C)CCC(F)(F)F)C1 ZINC001265386879 1144701213 /nfs/dbraw/zinc/70/12/13/1144701213.db2.gz OIKYIQWITRYVLL-CYBMUJFWSA-N 0 3 322.371 2.312 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001265435470 1144703962 /nfs/dbraw/zinc/70/39/62/1144703962.db2.gz GYJQPUQAEDDOGF-AWEZNQCLSA-N 0 3 313.376 2.145 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001265435350 1144703971 /nfs/dbraw/zinc/70/39/71/1144703971.db2.gz BUDKQIRMQGNYFL-HNNXBMFYSA-N 0 3 309.369 2.169 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@@H]1CCC1(F)F ZINC001265483100 1144706437 /nfs/dbraw/zinc/70/64/37/1144706437.db2.gz JEMVMTAJSGANLG-JYJNAYRXSA-N 0 3 318.367 2.320 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC001265577081 1144713724 /nfs/dbraw/zinc/71/37/24/1144713724.db2.gz BNPCZYSMISJUTO-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNCc1ccnn1C ZINC001265680619 1144726876 /nfs/dbraw/zinc/72/68/76/1144726876.db2.gz SLGISZQXGKRUBK-NVXWUHKLSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2occc2C)C1 ZINC001265706131 1144731757 /nfs/dbraw/zinc/73/17/57/1144731757.db2.gz RBRJVVRQOHWWPM-CVEARBPZSA-N 0 3 302.418 2.371 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnn(CC(C)C)c1CC ZINC001265845385 1144746822 /nfs/dbraw/zinc/74/68/22/1144746822.db2.gz MATIRVSVFHDRPQ-UHFFFAOYSA-N 0 3 318.465 2.177 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)N2CC[C@H](NCC#CCOC)C2)CC1 ZINC001265941556 1144764071 /nfs/dbraw/zinc/76/40/71/1144764071.db2.gz BZLZEXSGZCUXHI-ULQDDVLXSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)n1cnc2ccccc21 ZINC001265948203 1144766649 /nfs/dbraw/zinc/76/66/49/1144766649.db2.gz KPEDJOQNIMESTP-OAHLLOKOSA-N 0 3 312.417 2.059 20 30 DEEDHN CCN(CCCNC(=O)C#CC(C)C)Cc1cncc(C)c1 ZINC001266040168 1144798187 /nfs/dbraw/zinc/79/81/87/1144798187.db2.gz CCEAIJICOFNHOC-UHFFFAOYSA-N 0 3 301.434 2.378 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001266119490 1144807479 /nfs/dbraw/zinc/80/74/79/1144807479.db2.gz GHPFHSZDMDSNHR-RFSXOUPVSA-N 0 3 300.446 2.225 20 30 DEEDHN Cc1cncc(CN(CCCNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001266125663 1144807891 /nfs/dbraw/zinc/80/78/91/1144807891.db2.gz IERDMXHTDIPGFL-CQSZACIVSA-N 0 3 300.406 2.020 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@H]1CCO[C@H](CC)C1)C1CC1 ZINC001266168695 1144811141 /nfs/dbraw/zinc/81/11/41/1144811141.db2.gz BBZRHUJOFDPVNL-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)C2(CF)CCC2)CC1 ZINC001266189513 1144812718 /nfs/dbraw/zinc/81/27/18/1144812718.db2.gz GWNCFOGAYTVCON-UHFFFAOYSA-N 0 3 312.429 2.252 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001266193243 1144812848 /nfs/dbraw/zinc/81/28/48/1144812848.db2.gz HESNTCXRLKKXDY-SJORKVTESA-N 0 3 308.466 2.404 20 30 DEEDHN C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001266223661 1144816336 /nfs/dbraw/zinc/81/63/36/1144816336.db2.gz UWSWBBZKKKRGPE-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001266223661 1144816337 /nfs/dbraw/zinc/81/63/37/1144816337.db2.gz UWSWBBZKKKRGPE-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN C#Cc1cncc(C(=O)NCCC[C@@H]2CCCN2CCF)c1 ZINC001266231552 1144816808 /nfs/dbraw/zinc/81/68/08/1144816808.db2.gz KUJDVQRHXWMUPL-MRXNPFEDSA-N 0 3 303.381 2.007 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001279146793 1144818899 /nfs/dbraw/zinc/81/88/99/1144818899.db2.gz PSHRNVSGBADLAB-NEPJUHHUSA-N 0 3 304.356 2.425 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](C)[C@@H](C)COC)CC2)CC1 ZINC001279359893 1144821199 /nfs/dbraw/zinc/82/11/99/1144821199.db2.gz BAYLLXXQEXAIOQ-JKSUJKDBSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H](CC(C)C)OC)CC2)CC1 ZINC001279368233 1144821347 /nfs/dbraw/zinc/82/13/47/1144821347.db2.gz KULFRYPNNWFFKV-QGZVFWFLSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001279518890 1144823441 /nfs/dbraw/zinc/82/34/41/1144823441.db2.gz NZUYETNKLYYLNC-WMZOPIPTSA-N 0 3 308.466 2.025 20 30 DEEDHN CC#CCCCC(=O)N[C@@]1(CO)CCCN(CC=C(C)C)C1 ZINC001279510075 1144823476 /nfs/dbraw/zinc/82/34/76/1144823476.db2.gz UDYSKCGNJJWXIY-SFHVURJKSA-N 0 3 306.450 2.089 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCOCC(C)C ZINC001279543046 1144824183 /nfs/dbraw/zinc/82/41/83/1144824183.db2.gz UAJFKSBPNMJBOA-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCCC(=O)NCC1=CCN(C[C@@H]2CCCCO2)CC1 ZINC001279544478 1144824211 /nfs/dbraw/zinc/82/42/11/1144824211.db2.gz JNBONHJMHUNIOK-KRWDZBQOSA-N 0 3 304.434 2.107 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cc(C)ncn2)c(F)c1 ZINC001279709947 1144827502 /nfs/dbraw/zinc/82/75/02/1144827502.db2.gz KPMULVLXDJUAIK-UHFFFAOYSA-N 0 3 314.364 2.130 20 30 DEEDHN C=C(Br)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001280154413 1144832815 /nfs/dbraw/zinc/83/28/15/1144832815.db2.gz XVXWCMMUSKKQHM-RAIGVLPGSA-N 0 3 315.255 2.379 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cc(C)nn1C ZINC001280315761 1144835616 /nfs/dbraw/zinc/83/56/16/1144835616.db2.gz SCZDVWQXFPILEL-UHFFFAOYSA-N 0 3 324.428 2.114 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2c[nH]c(C#N)c2)cc1 ZINC001280351343 1144836368 /nfs/dbraw/zinc/83/63/68/1144836368.db2.gz WINXXEHFPGGVQB-CQSZACIVSA-N 0 3 320.396 2.490 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)Cc1cccc2cnccc21 ZINC001280822396 1144858314 /nfs/dbraw/zinc/85/83/14/1144858314.db2.gz KNQNHSCSBILOHW-UHFFFAOYSA-N 0 3 309.413 2.191 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001281169750 1144875735 /nfs/dbraw/zinc/87/57/35/1144875735.db2.gz YQUWNYPZJWXQHX-APWZRJJASA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001281437176 1144889496 /nfs/dbraw/zinc/88/94/96/1144889496.db2.gz ZDGXMUPFYAMNJB-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001281808787 1144914838 /nfs/dbraw/zinc/91/48/38/1144914838.db2.gz RIIRZTSGSLPTLZ-JKSUJKDBSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)NCC(C)C ZINC001281853457 1144916675 /nfs/dbraw/zinc/91/66/75/1144916675.db2.gz OHTWAELXCSURAT-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1CCCC[C@H]1CNCCF ZINC001281892825 1144918310 /nfs/dbraw/zinc/91/83/10/1144918310.db2.gz BWXROXHONNSYQQ-KRWDZBQOSA-N 0 3 302.393 2.368 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1cc(C)sn1 ZINC001281931598 1144920746 /nfs/dbraw/zinc/92/07/46/1144920746.db2.gz CZUQHAHQGCZOJE-CQSZACIVSA-N 0 3 323.462 2.191 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1c[nH]cc1C ZINC001281968815 1144925539 /nfs/dbraw/zinc/92/55/39/1144925539.db2.gz PEGOHBXRDWLVFK-OAHLLOKOSA-N 0 3 305.422 2.062 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001282167265 1145005188 /nfs/dbraw/zinc/00/51/88/1145005188.db2.gz KRJSJCLBIYWIHY-VXGBXAGGSA-N 0 3 319.453 2.267 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001282167264 1145006004 /nfs/dbraw/zinc/00/60/04/1145006004.db2.gz KRJSJCLBIYWIHY-RYUDHWBXSA-N 0 3 319.453 2.267 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(CC)CCCCC1 ZINC001282241508 1145021066 /nfs/dbraw/zinc/02/10/66/1145021066.db2.gz MIYJWWFDBWKCGN-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001282391805 1145058437 /nfs/dbraw/zinc/05/84/37/1145058437.db2.gz SUXBCXIACFEHFG-LSDHHAIUSA-N 0 3 320.408 2.109 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001282735538 1145152925 /nfs/dbraw/zinc/15/29/25/1145152925.db2.gz OMCDLAHZSZJTNW-CYBMUJFWSA-N 0 3 312.417 2.118 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)Cc2ccco2)C(C)(C)C1 ZINC001282834290 1145173194 /nfs/dbraw/zinc/17/31/94/1145173194.db2.gz ULCKZMXZYGNZGT-GDBMZVCRSA-N 0 3 302.418 2.308 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCCNC(=O)[C@@H]1CCCCN1CC ZINC001283275965 1145343605 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COCC#CCN[C@H](C)CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001317273476 1147685082 /nfs/dbraw/zinc/68/50/82/1147685082.db2.gz WFYMTQKBVGRKIU-SJLPKXTDSA-N 0 3 316.445 2.170 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2c(Cl)cnn2CC)C1 ZINC001317378271 1147699245 /nfs/dbraw/zinc/69/92/45/1147699245.db2.gz WXWSRMFVRJZQCN-CYBMUJFWSA-N 0 3 322.840 2.116 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cnn(CCC)c2C)C1 ZINC001317381984 1147699611 /nfs/dbraw/zinc/69/96/11/1147699611.db2.gz PTUNIJGUAFGCGS-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2oc(CCC)nc2C)C1 ZINC001317382710 1147699974 /nfs/dbraw/zinc/69/99/74/1147699974.db2.gz UMHBMBBIPIMILE-OAHLLOKOSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ncc2n1CCCC2)C(C)C ZINC001367495532 1147702314 /nfs/dbraw/zinc/70/23/14/1147702314.db2.gz VAVOPUUJFYUFDG-AWEZNQCLSA-N 0 3 324.856 2.316 20 30 DEEDHN CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001317418486 1147703984 /nfs/dbraw/zinc/70/39/84/1147703984.db2.gz BHOHWHBJCAYLFX-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001317418486 1147703985 /nfs/dbraw/zinc/70/39/85/1147703985.db2.gz BHOHWHBJCAYLFX-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC001317445478 1147709804 /nfs/dbraw/zinc/70/98/04/1147709804.db2.gz WYTYIMDCAVUTOD-KSSFIOAISA-N 0 3 320.433 2.131 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001317541031 1147722486 /nfs/dbraw/zinc/72/24/86/1147722486.db2.gz TULQHDHMWWTBLC-HNNXBMFYSA-N 0 3 320.408 2.445 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc(NC(C)=O)c1C ZINC001317548095 1147723219 /nfs/dbraw/zinc/72/32/19/1147723219.db2.gz RCLBOTMQKLJCEI-UHFFFAOYSA-N 0 3 315.417 2.028 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001317547020 1147723361 /nfs/dbraw/zinc/72/33/61/1147723361.db2.gz XKWQHCHHHDXKOO-UHFFFAOYSA-N 0 3 311.429 2.138 20 30 DEEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001317548178 1147723566 /nfs/dbraw/zinc/72/35/66/1147723566.db2.gz UVJUOPKVFKBUSJ-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CCOCCN(CCNC(=O)CC#Cc1ccccc1)C1CC1 ZINC001317560866 1147725263 /nfs/dbraw/zinc/72/52/63/1147725263.db2.gz DATXMCJUPLHOAQ-UHFFFAOYSA-N 0 3 314.429 2.045 20 30 DEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)/C=C\c1ccco1 ZINC001317562693 1147725736 /nfs/dbraw/zinc/72/57/36/1147725736.db2.gz CEWUENUVOACLFA-FPLPWBNLSA-N 0 3 309.369 2.413 20 30 DEEDHN CCO[C@@H](CC)C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001367728000 1147733774 /nfs/dbraw/zinc/73/37/74/1147733774.db2.gz KMNQKXVWYKRJDJ-LRDDRELGSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)c1ccc(C#N)[nH]1 ZINC001367730748 1147734296 /nfs/dbraw/zinc/73/42/96/1147734296.db2.gz MYRJPPCLVDXXMR-RYUDHWBXSA-N 0 3 314.364 2.495 20 30 DEEDHN C=CCCCC(=O)N(C)CCNCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001317629426 1147735525 /nfs/dbraw/zinc/73/55/25/1147735525.db2.gz WRPCAPIHFGBYHE-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCNCCN(C)C(=O)CCCOc1cccc(C)c1 ZINC001317661339 1147740284 /nfs/dbraw/zinc/74/02/84/1147740284.db2.gz URVYJNKOHKWZGJ-UHFFFAOYSA-N 0 3 302.418 2.225 20 30 DEEDHN COCC#CCNCCN(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001317666901 1147741157 /nfs/dbraw/zinc/74/11/57/1147741157.db2.gz XMCPMLRJIXMSIM-AWEZNQCLSA-N 0 3 322.836 2.141 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001317761274 1147749852 /nfs/dbraw/zinc/74/98/52/1147749852.db2.gz ISGZIGYMJJUDHZ-ZXXIGWHRSA-N 0 3 318.461 2.299 20 30 DEEDHN Cc1nc(C)c(CN2CC[C@@H](CCNC(=O)C#CC(C)C)C2)o1 ZINC001317783516 1147752137 /nfs/dbraw/zinc/75/21/37/1147752137.db2.gz YJAOYONSVKLEOP-MRXNPFEDSA-N 0 3 317.433 2.279 20 30 DEEDHN Cc1ccc(CN2CC(CNC(=O)CSCC#N)C2)c(C)c1 ZINC001318101634 1147771721 /nfs/dbraw/zinc/77/17/21/1147771721.db2.gz WGDNXZVXQYNTFN-UHFFFAOYSA-N 0 3 317.458 2.108 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CN(CC/C=C/CCC)C2)cn1 ZINC001318168324 1147787109 /nfs/dbraw/zinc/78/71/09/1147787109.db2.gz DAAYLKPOLFGLJZ-VOTSOKGWSA-N 0 3 311.429 2.471 20 30 DEEDHN C=C[C@H](C(=O)NCC1CN(C[C@H](C)OC)C1)c1ccccc1 ZINC001318175682 1147789243 /nfs/dbraw/zinc/78/92/43/1147789243.db2.gz DBGNDMGSEAYNCL-YOEHRIQHSA-N 0 3 302.418 2.039 20 30 DEEDHN C#CCCN1CC(CNC(=O)[C@H](OC(C)C)c2ccccc2)C1 ZINC001318184726 1147792013 /nfs/dbraw/zinc/79/20/13/1147792013.db2.gz MLDQLLBWBRBLGP-GOSISDBHSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001318192671 1147793819 /nfs/dbraw/zinc/79/38/19/1147793819.db2.gz FPBDYWYUWFRLSO-GQGLESIBSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H]1CCN(CCCc2nc(C)no2)C1 ZINC001318406980 1147822903 /nfs/dbraw/zinc/82/29/03/1147822903.db2.gz LUBXVNNLLLHZGX-HNNXBMFYSA-N 0 3 320.437 2.200 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@](C)(CNCc2nccn2C)C1 ZINC001324800236 1147846260 /nfs/dbraw/zinc/84/62/60/1147846260.db2.gz XTYNPSALQNULDJ-SFHVURJKSA-N 0 3 318.465 2.351 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC2(COC)CC2)C1 ZINC001324937637 1147860180 /nfs/dbraw/zinc/86/01/80/1147860180.db2.gz YKZUEHXGLVGATA-QGZVFWFLSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN(C[C@@H](CC)OC)CCC1(F)F ZINC001325041504 1147869592 /nfs/dbraw/zinc/86/95/92/1147869592.db2.gz GKDVNGOZBQUHHN-UONOGXRCSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C=C)c3ccccc3)C[C@@H]2C1 ZINC001325778951 1147998889 /nfs/dbraw/zinc/99/88/89/1147998889.db2.gz NCGCWHFTODVAPY-YTQUADARSA-N 0 3 308.425 2.370 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)Cc1ccccc1C(F)(F)F ZINC001325879526 1148013060 /nfs/dbraw/zinc/01/30/60/1148013060.db2.gz PLRPZXSCCMUVBQ-QWHCGFSZSA-N 0 3 303.324 2.399 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccc(OC)n2)C1 ZINC001326404231 1148093255 /nfs/dbraw/zinc/09/32/55/1148093255.db2.gz PMQPNXUXSMIUOY-ZDUSSCGKSA-N 0 3 323.824 2.285 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1nccc(C)n1 ZINC001326449920 1148103849 /nfs/dbraw/zinc/10/38/49/1148103849.db2.gz SIXNEDIGTDXTCY-UHFFFAOYSA-N 0 3 310.401 2.333 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCc2cn[nH]c2)cc1 ZINC001326479035 1148109208 /nfs/dbraw/zinc/10/92/08/1148109208.db2.gz FKKPCFQLYGJJAT-HNNXBMFYSA-N 0 3 324.428 2.333 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)n2cccn2)cc1 ZINC001326492813 1148116913 /nfs/dbraw/zinc/11/69/13/1148116913.db2.gz LBTHCYASHXIPJH-GJZGRUSLSA-N 0 3 310.401 2.044 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CN[C@H](C)c2nncn2C)CC1 ZINC001326499564 1148118309 /nfs/dbraw/zinc/11/83/09/1148118309.db2.gz KIBNQCVAUFQGFQ-RBSFLKMASA-N 0 3 319.453 2.107 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](CC)Oc2ccccc2C)CCC1 ZINC001326891274 1148283068 /nfs/dbraw/zinc/28/30/68/1148283068.db2.gz YKIBVYOYSCMBLX-MRXNPFEDSA-N 0 3 314.429 2.414 20 30 DEEDHN Cc1c(Cl)cnc(N[C@@H](C)CCN2CCN(C)CC2)c1C#N ZINC000613704906 362185381 /nfs/dbraw/zinc/18/53/81/362185381.db2.gz WFOCDPFYSVAAHU-LBPRGKRZSA-N 0 3 321.856 2.353 20 30 DEEDHN C[C@H](NC(=O)N(C)CCN(C)C1CC1)c1cccc(C#N)c1 ZINC000613791130 362210235 /nfs/dbraw/zinc/21/02/35/362210235.db2.gz IRHNMDQIXOLSOT-ZDUSSCGKSA-N 0 3 300.406 2.355 20 30 DEEDHN CN(C)CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000181613264 199326787 /nfs/dbraw/zinc/32/67/87/199326787.db2.gz IZWZVKZZAKJRSF-UHFFFAOYSA-N 0 3 300.284 2.260 20 30 DEEDHN COC(=O)Cc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000614611563 362420213 /nfs/dbraw/zinc/42/02/13/362420213.db2.gz NHBXTRYQOLWBGD-HNNXBMFYSA-N 0 3 323.352 2.299 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000614596532 362417105 /nfs/dbraw/zinc/41/71/05/362417105.db2.gz RFOBXFBCHJRXPY-WMLDXEAASA-N 0 3 322.474 2.274 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000297560954 530064766 /nfs/dbraw/zinc/06/47/66/530064766.db2.gz NVOKKCMDDXSHDD-SFHVURJKSA-N 0 3 312.417 2.186 20 30 DEEDHN CN1CCC(Nc2ccccc2NC(=O)CSCC#N)CC1 ZINC000264067383 530050647 /nfs/dbraw/zinc/05/06/47/530050647.db2.gz HOERVGLDXDUTJJ-UHFFFAOYSA-N 0 3 318.446 2.388 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000614962687 362498838 /nfs/dbraw/zinc/49/88/38/362498838.db2.gz CLQLKJJTTYVHOV-LPHOPBHVSA-N 0 3 312.461 2.331 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC000172134673 539616774 /nfs/dbraw/zinc/61/67/74/539616774.db2.gz ZRGYHWQTQFCRQE-VQHPVUNQSA-N 0 3 321.465 2.304 20 30 DEEDHN CC[C@]1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCOC1 ZINC000616865980 362952434 /nfs/dbraw/zinc/95/24/34/362952434.db2.gz DPHUJPKAXZVFFT-HNNXBMFYSA-N 0 3 307.419 2.334 20 30 DEEDHN C#C[C@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000186073536 186238565 /nfs/dbraw/zinc/23/85/65/186238565.db2.gz AJXAPBHQKGMHBJ-KRWDZBQOSA-N 0 3 313.445 2.358 20 30 DEEDHN C=CCN1CC[C@H](N(CC)Cc2ccc(CN(C)C)cc2)C1=O ZINC000626063074 366031733 /nfs/dbraw/zinc/03/17/33/366031733.db2.gz QFOYBANNJLWMGZ-SFHVURJKSA-N 0 3 315.461 2.357 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCC[C@@H](C)C1 ZINC000595504680 358467069 /nfs/dbraw/zinc/46/70/69/358467069.db2.gz GSNNQRIXRYKLDX-OAGGEKHMSA-N 0 3 306.454 2.442 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1F ZINC000331879313 234229526 /nfs/dbraw/zinc/22/95/26/234229526.db2.gz HQJCTZJZPJLSPJ-BZUAXINKSA-N 0 3 304.365 2.059 20 30 DEEDHN C=CCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000617614710 363203795 /nfs/dbraw/zinc/20/37/95/363203795.db2.gz KXPKHWODXJWPLV-UHFFFAOYSA-N 0 3 302.418 2.197 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(F)F ZINC000277075263 213276574 /nfs/dbraw/zinc/27/65/74/213276574.db2.gz SXFQMCIQDRLPHZ-UHFFFAOYSA-N 0 3 309.360 2.494 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)C(C)C)cc1 ZINC000236790214 202009815 /nfs/dbraw/zinc/00/98/15/202009815.db2.gz OFSXQXJOEJIUAD-INIZCTEOSA-N 0 3 315.417 2.423 20 30 DEEDHN C[C@@H]1C[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047097854 354305551 /nfs/dbraw/zinc/30/55/51/354305551.db2.gz LPHZBQHQXVZTCH-PBHICJAKSA-N 0 3 314.433 2.287 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 ZINC000057154836 354558743 /nfs/dbraw/zinc/55/87/43/354558743.db2.gz LLXKPPPFEKCZBM-UHFFFAOYSA-N 0 3 317.364 2.068 20 30 DEEDHN N#Cc1ccc(SCC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000063430008 354645896 /nfs/dbraw/zinc/64/58/96/354645896.db2.gz PBJSFOXWWZUWAR-UHFFFAOYSA-N 0 3 315.442 2.393 20 30 DEEDHN Cc1nc(C(=O)NCC(C)(C)N2CCCCC2)ccc1C#N ZINC000073844120 354986740 /nfs/dbraw/zinc/98/67/40/354986740.db2.gz SWEPZTOGOVPYBE-UHFFFAOYSA-N 0 3 300.406 2.256 20 30 DEEDHN Cc1ncoc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000081613810 355441361 /nfs/dbraw/zinc/44/13/61/355441361.db2.gz SRNQKZGZJROLGF-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2COc3ccc(F)cc3C2)CC1 ZINC000090554042 355563066 /nfs/dbraw/zinc/56/30/66/355563066.db2.gz VLVFKNSYAPTVFT-CQSZACIVSA-N 0 3 318.392 2.143 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000093870334 355688922 /nfs/dbraw/zinc/68/89/22/355688922.db2.gz OTSFQBPDPGWIHA-KRWDZBQOSA-N 0 3 309.413 2.497 20 30 DEEDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000118534411 355780398 /nfs/dbraw/zinc/78/03/98/355780398.db2.gz FJQAHQDXUNORGU-YCPHGPKFSA-N 0 3 320.458 2.318 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(C#N)cc1F ZINC000158489479 355958527 /nfs/dbraw/zinc/95/85/27/355958527.db2.gz GLFAUMJYNDFZJV-UHFFFAOYSA-N 0 3 306.385 2.179 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000182865950 356149234 /nfs/dbraw/zinc/14/92/34/356149234.db2.gz HOSOOLDGHDSCGB-CYBMUJFWSA-N 0 3 306.385 2.059 20 30 DEEDHN N#Cc1ccc(CN[C@@H](CO)[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000356383057 283146543 /nfs/dbraw/zinc/14/65/43/283146543.db2.gz BQFTTYYBNFPMCO-KBPBESRZSA-N 0 3 314.307 2.207 20 30 DEEDHN N#Cc1cncc(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000401327731 356725617 /nfs/dbraw/zinc/72/56/17/356725617.db2.gz NZCPHTXALVEOCT-KRWDZBQOSA-N 0 3 323.400 2.051 20 30 DEEDHN CCOC[C@@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000579947146 357055821 /nfs/dbraw/zinc/05/58/21/357055821.db2.gz UWQQMQPNNHCZFU-AWEZNQCLSA-N 0 3 301.308 2.044 20 30 DEEDHN C[C@H](CNC(=O)Nc1cccc(C#N)n1)N1CCC[C@H](C)C1 ZINC000579830153 357038437 /nfs/dbraw/zinc/03/84/37/357038437.db2.gz NISLXPWMIMBDQQ-QWHCGFSZSA-N 0 3 301.394 2.195 20 30 DEEDHN CCCN(CCN(CC)CC)CC(=O)NC1(C#N)CCCCC1 ZINC000122540608 283235144 /nfs/dbraw/zinc/23/51/44/283235144.db2.gz HDZIIPQNZBNOQB-UHFFFAOYSA-N 0 3 322.497 2.383 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2noc3ccccc32)CC1 ZINC000580960211 357108641 /nfs/dbraw/zinc/10/86/41/357108641.db2.gz HJIJHBPXBPXODX-UHFFFAOYSA-N 0 3 314.389 2.277 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000585726604 357348559 /nfs/dbraw/zinc/34/85/59/357348559.db2.gz RIPLRCUJIJETJM-BFYDXBDKSA-N 0 3 318.442 2.491 20 30 DEEDHN N#C[C@@]1(C(=O)N2CCN(c3ccncc3)CC2)CC12CCCC2 ZINC000590617217 357568564 /nfs/dbraw/zinc/56/85/64/357568564.db2.gz DLOIRYBVSVQFQN-GOSISDBHSA-N 0 3 310.401 2.204 20 30 DEEDHN N#Cc1ccc(N2CCC(NCc3ccncc3F)CC2)nc1 ZINC000590644437 357572698 /nfs/dbraw/zinc/57/26/98/357572698.db2.gz LAXSDLDRMQOZLR-UHFFFAOYSA-N 0 3 311.364 2.246 20 30 DEEDHN COC(=O)C(C)(C)[C@@H](NCCOCCC#N)c1ccccc1 ZINC000590172818 357524977 /nfs/dbraw/zinc/52/49/77/357524977.db2.gz LTKDCLIMWLTQEE-HNNXBMFYSA-N 0 3 304.390 2.447 20 30 DEEDHN COC1CCN(CCNC(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000590858436 357628201 /nfs/dbraw/zinc/62/82/01/357628201.db2.gz YXQVJKSVQWSYNM-UHFFFAOYSA-N 0 3 316.405 2.099 20 30 DEEDHN C=CCN1CCC(NC(=O)CCOc2cccc(F)c2)CC1 ZINC000592068609 357823708 /nfs/dbraw/zinc/82/37/08/357823708.db2.gz CVWOVBOAHJZMCB-UHFFFAOYSA-N 0 3 306.381 2.361 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000592233751 357855544 /nfs/dbraw/zinc/85/55/44/357855544.db2.gz AGDHUZSCKITSQK-MLRMMBSGSA-N 0 3 317.374 2.261 20 30 DEEDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC(CCC#N)CC1 ZINC000592567833 357902519 /nfs/dbraw/zinc/90/25/19/357902519.db2.gz IBKJWPSAUBWJQM-IIDMSEBBSA-N 0 3 319.449 2.061 20 30 DEEDHN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)C(C#N)CC ZINC000593456333 358082895 /nfs/dbraw/zinc/08/28/95/358082895.db2.gz IATNMDZPHFXQEF-HUUCEWRRSA-N 0 3 302.374 2.169 20 30 DEEDHN CCCN1CCC[C@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000329175243 283339394 /nfs/dbraw/zinc/33/93/94/283339394.db2.gz BMEHPJBXWZEOLF-KGLIPLIRSA-N 0 3 320.437 2.103 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000594218165 358226298 /nfs/dbraw/zinc/22/62/98/358226298.db2.gz GVKMOAMUYKIQTE-AWEZNQCLSA-N 0 3 311.429 2.480 20 30 DEEDHN COc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1NC(C)=O ZINC000594429107 358267835 /nfs/dbraw/zinc/26/78/35/358267835.db2.gz QULWTKINSPBBSE-ZDUSSCGKSA-N 0 3 318.377 2.003 20 30 DEEDHN CC[C@@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000594571063 358295469 /nfs/dbraw/zinc/29/54/69/358295469.db2.gz DHCMMTMBOQCVOT-MRXNPFEDSA-N 0 3 307.401 2.449 20 30 DEEDHN COc1cccc([C@@]2(C)CCN(C(=O)[C@@H](N)CCCC#N)C2)c1 ZINC000595257429 358406860 /nfs/dbraw/zinc/40/68/60/358406860.db2.gz LBQBRXIEFDEOOF-WMZOPIPTSA-N 0 3 315.417 2.206 20 30 DEEDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc(C#N)cc1 ZINC000595058144 358384593 /nfs/dbraw/zinc/38/45/93/358384593.db2.gz YPKWUIWQYZDKJE-JKSUJKDBSA-N 0 3 306.431 2.046 20 30 DEEDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccc(C#N)cc1 ZINC000595058142 358384701 /nfs/dbraw/zinc/38/47/01/358384701.db2.gz YPKWUIWQYZDKJE-HOTGVXAUSA-N 0 3 306.431 2.046 20 30 DEEDHN N#Cc1cccc2c1CN(C(=O)c1cc3c(s1)CCNC3)C2 ZINC000595937902 358584018 /nfs/dbraw/zinc/58/40/18/358584018.db2.gz YTKJXYHIVSDQAP-UHFFFAOYSA-N 0 3 309.394 2.421 20 30 DEEDHN N#Cc1cncc(NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000596436741 358686801 /nfs/dbraw/zinc/68/68/01/358686801.db2.gz QDVAECIZSGPHKU-UHFFFAOYSA-N 0 3 308.389 2.067 20 30 DEEDHN CC[C@H](C#N)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000597616377 358964277 /nfs/dbraw/zinc/96/42/77/358964277.db2.gz COOSVNSCBWKYRS-ZBFHGGJFSA-N 0 3 323.481 2.256 20 30 DEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1c(F)cccc1C#N ZINC000597860246 359025782 /nfs/dbraw/zinc/02/57/82/359025782.db2.gz MNPOJBZRKSOGPQ-ZDUSSCGKSA-N 0 3 303.381 2.229 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1c(F)cccc1C#N ZINC000598262382 359140097 /nfs/dbraw/zinc/14/00/97/359140097.db2.gz YZIRDQJUGRYKPY-AWEZNQCLSA-N 0 3 317.408 2.476 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000598585842 359250174 /nfs/dbraw/zinc/25/01/74/359250174.db2.gz BKBUAKYNQMDGTE-MRXNPFEDSA-N 0 3 321.465 2.012 20 30 DEEDHN COc1ccc(OCCN(C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598588039 359251257 /nfs/dbraw/zinc/25/12/57/359251257.db2.gz YCVDSDCUBFFJOF-AWEZNQCLSA-N 0 3 306.406 2.307 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccnc(N2CCCCC2)c1 ZINC000598715773 359303289 /nfs/dbraw/zinc/30/32/89/359303289.db2.gz TUGDUIJCVMNYBE-MRXNPFEDSA-N 0 3 316.449 2.462 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000598618925 359263189 /nfs/dbraw/zinc/26/31/89/359263189.db2.gz SIQMRSJYRFYDKP-INIZCTEOSA-N 0 3 315.417 2.051 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000598621458 359263985 /nfs/dbraw/zinc/26/39/85/359263985.db2.gz WUKGTBTVENFWBG-MAUKXSAKSA-N 0 3 302.418 2.101 20 30 DEEDHN C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)N1CCC[C@@H](C)C1 ZINC000427924067 237037886 /nfs/dbraw/zinc/03/78/86/237037886.db2.gz NKSOLBTYQKHTMQ-VXGBXAGGSA-N 0 3 320.824 2.457 20 30 DEEDHN Cc1ccncc1[C@H](C)NC[C@H](O)COc1ccccc1C#N ZINC000599360544 359476884 /nfs/dbraw/zinc/47/68/84/359476884.db2.gz CQOOCTYLCPZIFY-HOCLYGCPSA-N 0 3 311.385 2.352 20 30 DEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1(C)COC1 ZINC000599571359 359529681 /nfs/dbraw/zinc/52/96/81/359529681.db2.gz DPBCTOFKSUVUPV-SWKXRBFHSA-N 0 3 321.465 2.274 20 30 DEEDHN COc1cc(NC(=O)NC[C@@H]2CCCN(C)C2)c(F)cc1C#N ZINC000599816907 359605418 /nfs/dbraw/zinc/60/54/18/359605418.db2.gz KVCVPARJMCVLED-NSHDSACASA-N 0 3 320.368 2.169 20 30 DEEDHN Cc1cccc(CN2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC000601851654 360174739 /nfs/dbraw/zinc/17/47/39/360174739.db2.gz VPIFGUZGORPGHO-INIZCTEOSA-N 0 3 308.385 2.199 20 30 DEEDHN Cc1ncc([C@@H](C)NC[C@@H](O)COc2ccccc2C#N)s1 ZINC000601968909 360213328 /nfs/dbraw/zinc/21/33/28/360213328.db2.gz OKPWWANHHIMRIU-BXUZGUMPSA-N 0 3 317.414 2.414 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000602577414 360440942 /nfs/dbraw/zinc/44/09/42/360440942.db2.gz NTTQBKOSVWDYKG-KFWWJZLASA-N 0 3 321.808 2.307 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ncccc1F ZINC000602582899 360443921 /nfs/dbraw/zinc/44/39/21/360443921.db2.gz RJXLXPVOQXCBBR-ZDUSSCGKSA-N 0 3 307.369 2.288 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000619208343 363736369 /nfs/dbraw/zinc/73/63/69/363736369.db2.gz CAMAQKFJSPCGTA-YOEHRIQHSA-N 0 3 306.454 2.442 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000442783613 238075541 /nfs/dbraw/zinc/07/55/41/238075541.db2.gz UPVDZDLTTADNPZ-FHLIZLRMSA-N 0 3 317.408 2.481 20 30 DEEDHN N#Cc1ccc(CC(=O)N2CCCN(c3ccncc3)CC2)cc1 ZINC000603083844 360694145 /nfs/dbraw/zinc/69/41/45/360694145.db2.gz MXWBNKIXVROHCJ-UHFFFAOYSA-N 0 3 320.396 2.235 20 30 DEEDHN CC[C@@H](N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603231768 360757801 /nfs/dbraw/zinc/75/78/01/360757801.db2.gz CJOXCYNIUYMYQS-LLVKDONJSA-N 0 3 307.304 2.209 20 30 DEEDHN COCc1cc(C#N)ccc1N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000603326332 360793771 /nfs/dbraw/zinc/79/37/71/360793771.db2.gz AKPBZYIRBSJKCY-HZPDHXFCSA-N 0 3 305.447 2.186 20 30 DEEDHN Cc1cc(C#N)nc(N(C)CCCN(C)Cc2ccncc2)n1 ZINC000603402279 360818796 /nfs/dbraw/zinc/81/87/96/360818796.db2.gz QBIYHCRTSUAJGC-UHFFFAOYSA-N 0 3 310.405 2.010 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000603817550 360861256 /nfs/dbraw/zinc/86/12/56/360861256.db2.gz IDWZVNQRBZDXEV-SFHVURJKSA-N 0 3 302.418 2.048 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc4c[nH]nc4c3)C2)nc1 ZINC000292690289 223203420 /nfs/dbraw/zinc/20/34/20/223203420.db2.gz BJZXSBXIXOHEJJ-INIZCTEOSA-N 0 3 319.368 2.483 20 30 DEEDHN C=CCC[C@H](NCCCN1CCCS1(=O)=O)c1ccco1 ZINC000671751709 541007463 /nfs/dbraw/zinc/00/74/63/541007463.db2.gz LHCCZXLTDZZOOH-AWEZNQCLSA-N 0 3 312.435 2.302 20 30 DEEDHN CCN(CCNC(=O)c1cc2ccccc2n1CC#N)C1CC1 ZINC000609175426 361288272 /nfs/dbraw/zinc/28/82/72/361288272.db2.gz UENNCMIVUNEZEY-UHFFFAOYSA-N 0 3 310.401 2.379 20 30 DEEDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(CC#N)CC1 ZINC000609334944 361303048 /nfs/dbraw/zinc/30/30/48/361303048.db2.gz MCRRIVIFYIPDOK-UHFFFAOYSA-N 0 3 318.377 2.071 20 30 DEEDHN CCO[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619281250 363754430 /nfs/dbraw/zinc/75/44/30/363754430.db2.gz LIPAXOIAZZVORZ-IRXDYDNUSA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1cccc(C#N)c1 ZINC000610353801 361388128 /nfs/dbraw/zinc/38/81/28/361388128.db2.gz JJHLXAGKMGUKBK-GUYCJALGSA-N 0 3 312.417 2.403 20 30 DEEDHN COc1cc(CNCCNC(=O)OC(C)(C)C)ccc1C#N ZINC000281564664 216386206 /nfs/dbraw/zinc/38/62/06/216386206.db2.gz CFTKACUODKFRSS-UHFFFAOYSA-N 0 3 305.378 2.181 20 30 DEEDHN C=C[C@@H](O)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000611841414 361692919 /nfs/dbraw/zinc/69/29/19/361692919.db2.gz YGFHMSFTGBTZPJ-IEBWSBKVSA-N 0 3 314.429 2.048 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(C)C ZINC001422109596 1172308837 /nfs/dbraw/zinc/30/88/37/1172308837.db2.gz VYQKMHXRVXGLNU-ILXRZTDVSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C[C@@H](Nc1cccc(N2CCN(C(C)C)CC2)c1)C(=O)OC ZINC000619703333 363860856 /nfs/dbraw/zinc/86/08/56/363860856.db2.gz JNGUZBCDUJCUQZ-QGZVFWFLSA-N 0 3 317.433 2.357 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619818313 363880883 /nfs/dbraw/zinc/88/08/83/363880883.db2.gz CPDMFZZSJQVRLL-AWEZNQCLSA-N 0 3 320.824 2.495 20 30 DEEDHN CCN(CCNC(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619757304 363872439 /nfs/dbraw/zinc/87/24/39/363872439.db2.gz SGZSNCOWUXSSPM-UHFFFAOYSA-N 0 3 320.824 2.495 20 30 DEEDHN C[C@H]1CN(c2ccc(Cl)cc2C#N)CCN1CC(C)(C)O ZINC000275465363 212351606 /nfs/dbraw/zinc/35/16/06/212351606.db2.gz HTWAQQICSSVUQW-LBPRGKRZSA-N 0 3 307.825 2.493 20 30 DEEDHN C=CCOc1c(Cl)cc(CN[C@H](C)CC(N)=O)cc1OC ZINC000623453926 365036888 /nfs/dbraw/zinc/03/68/88/365036888.db2.gz LHXXPDGAJHFESC-SNVBAGLBSA-N 0 3 312.797 2.267 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000677047907 541537400 /nfs/dbraw/zinc/53/74/00/541537400.db2.gz KEBPPHAHSHKMFB-CABCVRRESA-N 0 3 304.438 2.121 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)OCC ZINC000677301611 541571599 /nfs/dbraw/zinc/57/15/99/541571599.db2.gz UGNHGDNPYPPBCF-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000451499023 243032457 /nfs/dbraw/zinc/03/24/57/243032457.db2.gz YERLPKLQONZSSG-OIISXLGYSA-N 0 3 311.385 2.044 20 30 DEEDHN C=CC[C@H](C(=O)NCCN(C)CCCOC)c1ccccc1 ZINC000275143812 212147578 /nfs/dbraw/zinc/14/75/78/212147578.db2.gz MGTUPJYTTTYNEF-KRWDZBQOSA-N 0 3 304.434 2.431 20 30 DEEDHN N#Cc1ccccc1OCCN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451715575 243354425 /nfs/dbraw/zinc/35/44/25/243354425.db2.gz UHHAOLWVVRNHBS-HYVNUMGLSA-N 0 3 300.402 2.420 20 30 DEEDHN CC[C@@H]1CN(CC)CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000451730603 243372247 /nfs/dbraw/zinc/37/22/47/243372247.db2.gz PHCBZRMIDXOVPT-QGZVFWFLSA-N 0 3 314.433 2.303 20 30 DEEDHN C=CCOc1cccc(CN2CCN(C(C)(C)CO)CC2)c1 ZINC000678269353 541703855 /nfs/dbraw/zinc/70/38/55/541703855.db2.gz SMJAIYNRMDQFIK-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)c(F)c1 ZINC000453370882 245101343 /nfs/dbraw/zinc/10/13/43/245101343.db2.gz YNSGAAKGBBMSON-VBNZEHGJSA-N 0 3 303.381 2.211 20 30 DEEDHN C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1cccnc1 ZINC000563801822 335020237 /nfs/dbraw/zinc/02/02/37/335020237.db2.gz GZOIPWMFCNKFQU-WMLDXEAASA-N 0 3 311.385 2.238 20 30 DEEDHN N#CC(C(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccncn1 ZINC000680617733 542031853 /nfs/dbraw/zinc/03/18/53/542031853.db2.gz BXVCGCXGHDHSHD-CYBMUJFWSA-N 0 3 306.325 2.241 20 30 DEEDHN C=CCC[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(=O)OCC ZINC000456632517 247325834 /nfs/dbraw/zinc/32/58/34/247325834.db2.gz UGDVEPPHIWOAGN-JKSUJKDBSA-N 0 3 322.449 2.408 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CO)[C@@H](C)c1ccccc1 ZINC000680989359 542078648 /nfs/dbraw/zinc/07/86/48/542078648.db2.gz FICQOOMRCPUDDV-XYJFISCASA-N 0 3 316.445 2.330 20 30 DEEDHN Cc1nnc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000267903010 206328999 /nfs/dbraw/zinc/32/89/99/206328999.db2.gz CCQCIPFTKYKSTP-BETUJISGSA-N 0 3 317.437 2.266 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(OCC)C1)C(C)C ZINC000457763017 248001417 /nfs/dbraw/zinc/00/14/17/248001417.db2.gz YVLLUDVTPUOABQ-MRXNPFEDSA-N 0 3 309.454 2.115 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CO)C2CCCCC2)CC1 ZINC000458331780 248265190 /nfs/dbraw/zinc/26/51/90/248265190.db2.gz INXRQVMAYZGQJC-INIZCTEOSA-N 0 3 323.481 2.125 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000491101922 248900207 /nfs/dbraw/zinc/90/02/07/248900207.db2.gz LBUVDFGABREQBB-UHFFFAOYSA-N 0 3 307.397 2.196 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C/c1ncc[nH]1)C(C)C ZINC000493582492 249330064 /nfs/dbraw/zinc/33/00/64/249330064.db2.gz JOUVZBPIRJYGOS-KIUWMYQTSA-N 0 3 302.422 2.238 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C/COCC(F)(F)F)CC1 ZINC000493729066 249376086 /nfs/dbraw/zinc/37/60/86/249376086.db2.gz SXMGAROZFBAXAR-ONEGZZNKSA-N 0 3 320.355 2.278 20 30 DEEDHN C#CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000274167988 211396530 /nfs/dbraw/zinc/39/65/30/211396530.db2.gz NEQCVXXYTDZMPT-UHFFFAOYSA-N 0 3 301.346 2.329 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000273973340 211230923 /nfs/dbraw/zinc/23/09/23/211230923.db2.gz HSVULZXGBQWZTI-ZYHUDNBSSA-N 0 3 307.419 2.190 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000106039573 194181472 /nfs/dbraw/zinc/18/14/72/194181472.db2.gz ZUCXLHLEWXUXPT-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc(O)c2)CC1 ZINC000106338032 194198272 /nfs/dbraw/zinc/19/82/72/194198272.db2.gz XYHVQFPTIFRSIF-UHFFFAOYSA-N 0 3 317.433 2.274 20 30 DEEDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000285113109 218295061 /nfs/dbraw/zinc/29/50/61/218295061.db2.gz MPPBNJYUEJYBKN-LBPRGKRZSA-N 0 3 317.389 2.064 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H](CNCc2cnc(C)o2)[C@H](C)C1 ZINC001106027647 781970574 /nfs/dbraw/zinc/97/05/74/781970574.db2.gz DAFHLVNYDILRAX-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000269108293 207248330 /nfs/dbraw/zinc/24/83/30/207248330.db2.gz QSGDIPXVTAIQOL-HNNXBMFYSA-N 0 3 320.433 2.264 20 30 DEEDHN N#Cc1cccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000270022803 208077943 /nfs/dbraw/zinc/07/79/43/208077943.db2.gz DYUAYVCEOKYPJV-AEFFLSMTSA-N 0 3 322.412 2.248 20 30 DEEDHN N#Cc1cccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000270022806 208078331 /nfs/dbraw/zinc/07/83/31/208078331.db2.gz DYUAYVCEOKYPJV-SJLPKXTDSA-N 0 3 322.412 2.248 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC(CCCO)CC1 ZINC000272954697 210340464 /nfs/dbraw/zinc/34/04/64/210340464.db2.gz MXBHEGLUXUJNHE-UHFFFAOYSA-N 0 3 318.417 2.430 20 30 DEEDHN C=C[C@H](C)NC[C@H](O)COc1cccc(Br)c1 ZINC000158227076 197254761 /nfs/dbraw/zinc/25/47/61/197254761.db2.gz KSNLRFYBDZMHMU-JQWIXIFHSA-N 0 3 300.196 2.353 20 30 DEEDHN COC(=O)c1cccc(CN[C@H](C)[C@@H]2CCCOC2)c1C#N ZINC000542577694 285234819 /nfs/dbraw/zinc/23/48/19/285234819.db2.gz QWAOZKYTHQVJQB-TZMCWYRMSA-N 0 3 302.374 2.250 20 30 DEEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C#N)cc1OC)C1CC1 ZINC000120800128 195240274 /nfs/dbraw/zinc/24/02/74/195240274.db2.gz PCDMCEJEUWPSQC-LBPRGKRZSA-N 0 3 302.374 2.340 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](O)C12CCCC2 ZINC000292839888 533503511 /nfs/dbraw/zinc/50/35/11/533503511.db2.gz UTYQJZSNRZMCKQ-KRWDZBQOSA-N 0 3 316.401 2.325 20 30 DEEDHN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCCOC1 ZINC000355345977 133019804 /nfs/dbraw/zinc/01/98/04/133019804.db2.gz NKEKTHMFRUXPDU-UBHSHLNASA-N 0 3 319.430 2.130 20 30 DEEDHN Cc1nc(N[C@@H](C)CCN2CCN(C)CC2)c(Cl)cc1C#N ZINC000360067176 133160189 /nfs/dbraw/zinc/16/01/89/133160189.db2.gz VDWSRTXSBYCCPG-LBPRGKRZSA-N 0 3 321.856 2.353 20 30 DEEDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000362714337 133247443 /nfs/dbraw/zinc/24/74/43/133247443.db2.gz DMVSHGKASHUWQN-XOKHGSTOSA-N 0 3 304.390 2.029 20 30 DEEDHN COc1ccc(CNCc2cccc(-n3cncn3)c2)cc1C#N ZINC000377830345 133348385 /nfs/dbraw/zinc/34/83/85/133348385.db2.gz CSUFQTOIUXEMIX-UHFFFAOYSA-N 0 3 319.368 2.437 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564449172 292095801 /nfs/dbraw/zinc/09/58/01/292095801.db2.gz XNFDZOKBFYVEKA-QZTJIDSGSA-N 0 3 323.396 2.182 20 30 DEEDHN Cc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1C#N ZINC000564710140 292106029 /nfs/dbraw/zinc/10/60/29/292106029.db2.gz ALBAECMYMOAVLV-DXCKQFNASA-N 0 3 312.417 2.064 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000336657359 145396267 /nfs/dbraw/zinc/39/62/67/145396267.db2.gz QRIRNZQKQVYJBY-OAHLLOKOSA-N 0 3 309.369 2.403 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCCN1c1cccnn1 ZINC000329893661 404486511 /nfs/dbraw/zinc/48/65/11/404486511.db2.gz JQAVTNYMFGQZPE-ZNMIVQPWSA-N 0 3 317.437 2.275 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)C2(C#N)CCCCC2)CC1 ZINC000341272606 292168166 /nfs/dbraw/zinc/16/81/66/292168166.db2.gz YWSUNRUQBMYTCL-UHFFFAOYSA-N 0 3 321.465 2.466 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000374628508 148270625 /nfs/dbraw/zinc/27/06/25/148270625.db2.gz ZEYLAGDVDATVII-ZWKOTPCHSA-N 0 3 300.402 2.340 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c(C#N)c1C ZINC000375425384 148370160 /nfs/dbraw/zinc/37/01/60/148370160.db2.gz GMBGWVBDAVLENU-NZVBXONLSA-N 0 3 317.389 2.252 20 30 DEEDHN [O-]C(NC[C@H]1CCc2nccn2C1)=[NH+]CCOC1CCCCC1 ZINC000329900780 404487650 /nfs/dbraw/zinc/48/76/50/404487650.db2.gz ODHZADSOGOVFBC-CQSZACIVSA-N 0 3 320.437 2.298 20 30 DEEDHN CO[C@H]1C[C@H](NCC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000451492538 286110860 /nfs/dbraw/zinc/11/08/60/286110860.db2.gz JOZAMBDLTDAKCT-HOTGVXAUSA-N 0 3 315.417 2.336 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000076512793 401798044 /nfs/dbraw/zinc/79/80/44/401798044.db2.gz MVTBNFRJPBHDSV-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114644218 401804267 /nfs/dbraw/zinc/80/42/67/401804267.db2.gz TWGPSECLIUAHHF-HNNXBMFYSA-N 0 3 303.431 2.024 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000112699404 401754286 /nfs/dbraw/zinc/75/42/86/401754286.db2.gz FBMFRDBDENTHDT-MRXNPFEDSA-N 0 3 303.406 2.327 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C(C)C)CC1 ZINC000075673093 401766276 /nfs/dbraw/zinc/76/62/76/401766276.db2.gz UJIXOTDJMZBEDA-GOSISDBHSA-N 0 3 318.461 2.181 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)C(CC)CC)CC1 ZINC000078645631 401860428 /nfs/dbraw/zinc/86/04/28/401860428.db2.gz YHVBJZBYMPXPOH-MRXNPFEDSA-N 0 3 311.470 2.123 20 30 DEEDHN COc1ccc(CNCCNC(=O)OC(C)(C)C)cc1C#N ZINC000083454389 401901488 /nfs/dbraw/zinc/90/14/88/401901488.db2.gz VHONSMLQGOVRIC-UHFFFAOYSA-N 0 3 305.378 2.181 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000134989300 401923451 /nfs/dbraw/zinc/92/34/51/401923451.db2.gz ROSFMBYQEBDERH-KRWDZBQOSA-N 0 3 319.449 2.490 20 30 DEEDHN C=CCCS(=O)(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000119871974 401969639 /nfs/dbraw/zinc/96/96/39/401969639.db2.gz KRJYVFWAEIBTQH-KBPBESRZSA-N 0 3 302.484 2.238 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CCCC[C@@H]1c1cccn1C ZINC000092798909 402009055 /nfs/dbraw/zinc/00/90/55/402009055.db2.gz SMULKDDSXSCILB-MRXNPFEDSA-N 0 3 302.422 2.314 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCc1cccc(C#N)c1 ZINC000056787156 402090297 /nfs/dbraw/zinc/09/02/97/402090297.db2.gz RQGJWSMKEBYNMR-LSDHHAIUSA-N 0 3 314.433 2.478 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000123742355 402144077 /nfs/dbraw/zinc/14/40/77/402144077.db2.gz PDBSIODHVVHUDW-QGZVFWFLSA-N 0 3 323.481 2.410 20 30 DEEDHN C=CCCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000154154764 402195758 /nfs/dbraw/zinc/19/57/58/402195758.db2.gz ZYCWURJCEJQLER-UHFFFAOYSA-N 0 3 312.417 2.007 20 30 DEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000154233102 402200566 /nfs/dbraw/zinc/20/05/66/402200566.db2.gz AFCJITRBRDVRFQ-MRXNPFEDSA-N 0 3 300.406 2.194 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000107072011 402225613 /nfs/dbraw/zinc/22/56/13/402225613.db2.gz IUMSIDUPFDREHY-UONOGXRCSA-N 0 3 303.406 2.354 20 30 DEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108590503 402258061 /nfs/dbraw/zinc/25/80/61/402258061.db2.gz XRWNLQPZYWOBLL-INIZCTEOSA-N 0 3 317.408 2.312 20 30 DEEDHN N#CC(C(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccccn1 ZINC000156313232 402279453 /nfs/dbraw/zinc/27/94/53/402279453.db2.gz LOOXCJRKYJCOSC-OAHLLOKOSA-N 0 3 305.337 2.464 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000176132844 402281917 /nfs/dbraw/zinc/28/19/17/402281917.db2.gz XVCHQRLOEGAOCJ-STQMWFEESA-N 0 3 321.446 2.239 20 30 DEEDHN CCOC(CN1CCCN(c2ccccc2C#N)CC1)OCC ZINC000184964259 402313162 /nfs/dbraw/zinc/31/31/62/402313162.db2.gz IBNCIMVJSGWVSS-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN Cc1nc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)ccc1C#N ZINC000177292225 402387784 /nfs/dbraw/zinc/38/77/84/402387784.db2.gz ZZAGPSGMBGOODZ-HDMKZQKVSA-N 0 3 324.428 2.208 20 30 DEEDHN CCC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cccnc1 ZINC000186039486 402398133 /nfs/dbraw/zinc/39/81/33/402398133.db2.gz LORNTDOGAXTWLG-UPTRSRDDSA-N 0 3 314.389 2.039 20 30 DEEDHN CCN(C(=O)CSCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186320986 402421106 /nfs/dbraw/zinc/42/11/06/402421106.db2.gz HSKLQUQDMCPHIZ-INIZCTEOSA-N 0 3 317.458 2.366 20 30 DEEDHN CN(CCN1CCCC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000162960695 402437764 /nfs/dbraw/zinc/43/77/64/402437764.db2.gz QRUQQQWDRHHGRK-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C)(CO)CC1 ZINC000186956550 402473879 /nfs/dbraw/zinc/47/38/79/402473879.db2.gz SRLIXFDQVBSAJQ-KRWDZBQOSA-N 0 3 319.445 2.249 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCO1 ZINC000178527481 402507666 /nfs/dbraw/zinc/50/76/66/402507666.db2.gz GSRNFQRRQABQNI-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN CN(C)C1(CN(C)C(=O)NCc2cccc(C#N)c2)CCC1 ZINC000189704621 402554167 /nfs/dbraw/zinc/55/41/67/402554167.db2.gz MMJKURXPXOPNFI-UHFFFAOYSA-N 0 3 300.406 2.184 20 30 DEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189894086 402565371 /nfs/dbraw/zinc/56/53/71/402565371.db2.gz IOWSFXMTYQHHPY-GJZGRUSLSA-N 0 3 301.434 2.396 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc(C#N)c1 ZINC000246427161 402530649 /nfs/dbraw/zinc/53/06/49/402530649.db2.gz WBYBORLAGLFQAV-XJKSGUPXSA-N 0 3 300.406 2.040 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000171726835 402615104 /nfs/dbraw/zinc/61/51/04/402615104.db2.gz OLYYMITUVHYDND-UHFFFAOYSA-N 0 3 303.362 2.283 20 30 DEEDHN CCN1CCN([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000249402924 402628577 /nfs/dbraw/zinc/62/85/77/402628577.db2.gz VOBSICUXFPAQJU-VQIMIIECSA-N 0 3 312.461 2.331 20 30 DEEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)cc1 ZINC000180879705 402629312 /nfs/dbraw/zinc/62/93/12/402629312.db2.gz GBGGHYSGBOODSV-HYEKCJMVSA-N 0 3 317.364 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000172120204 402641407 /nfs/dbraw/zinc/64/14/07/402641407.db2.gz KEMBENBVUJUEIN-SUMWQHHRSA-N 0 3 300.402 2.318 20 30 DEEDHN C[C@](C#N)(NC(=O)CN[C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000181552605 402649828 /nfs/dbraw/zinc/64/98/28/402649828.db2.gz LUHAFAXSIHGYAB-PKOBYXMFSA-N 0 3 311.429 2.406 20 30 DEEDHN CO[C@@H](C)CON=C(N)c1ccccc1CN1CCCCC1 ZINC000181607877 402651809 /nfs/dbraw/zinc/65/18/09/402651809.db2.gz GRDXMMMIXRYHJG-AWEZNQCLSA-N 0 3 305.422 2.344 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255036515 402676248 /nfs/dbraw/zinc/67/62/48/402676248.db2.gz BAQBXTREIGWNLU-BJIFSAINSA-N 0 3 313.401 2.203 20 30 DEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(C#N)cc2)C1 ZINC000182320402 402680693 /nfs/dbraw/zinc/68/06/93/402680693.db2.gz BDEBEWXRESWHQF-SJORKVTESA-N 0 3 312.417 2.184 20 30 DEEDHN CO[C@H](C)[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191702048 402687158 /nfs/dbraw/zinc/68/71/58/402687158.db2.gz FGZKMUKQGOZBGO-WOSRLPQWSA-N 0 3 301.390 2.067 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000182435955 402689950 /nfs/dbraw/zinc/68/99/50/402689950.db2.gz YFZOJYYZKDEQOA-UHFFFAOYSA-N 0 3 301.346 2.187 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000182546605 402698373 /nfs/dbraw/zinc/69/83/73/402698373.db2.gz FHSDGWMJNQWBLY-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000174554866 402746911 /nfs/dbraw/zinc/74/69/11/402746911.db2.gz ZCGHMNRLDANBMT-IRXDYDNUSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000183469835 402770362 /nfs/dbraw/zinc/77/03/62/402770362.db2.gz PKEUDVQKBNKJAP-MRXNPFEDSA-N 0 3 310.486 2.010 20 30 DEEDHN C=C(C)COc1cc(CNCCN(C)CCOC)ccc1OC ZINC000263762502 402800513 /nfs/dbraw/zinc/80/05/13/402800513.db2.gz IJRPQAYANMNSRL-UHFFFAOYSA-N 0 3 322.449 2.318 20 30 DEEDHN CC1(C)CN(C(=O)CSCc2ccc(C#N)cc2)CCN1 ZINC000175406347 402804352 /nfs/dbraw/zinc/80/43/52/402804352.db2.gz BWLBRZURQHCBHP-UHFFFAOYSA-N 0 3 303.431 2.002 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CCOCC)C(C)C ZINC000271332815 402858846 /nfs/dbraw/zinc/85/88/46/402858846.db2.gz AVATWRGQICHNNP-INIZCTEOSA-N 0 3 311.470 2.363 20 30 DEEDHN CS(=O)(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000278652341 402869687 /nfs/dbraw/zinc/86/96/87/402869687.db2.gz IECYUCVMTUYUQR-DZGCQCFKSA-N 0 3 307.419 2.230 20 30 DEEDHN C=CCN(C[C@@H](O)COc1c(OC)cccc1OC)C1CC1 ZINC000271458554 402873213 /nfs/dbraw/zinc/87/32/13/402873213.db2.gz PKOJFBRRMWAWJC-CQSZACIVSA-N 0 3 307.390 2.094 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H]2OC(=O)c3ccccc32)CC1 ZINC000264504889 402884726 /nfs/dbraw/zinc/88/47/26/402884726.db2.gz RFUASIXGYDPUSX-MRXNPFEDSA-N 0 3 314.385 2.055 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 ZINC000264504888 402884901 /nfs/dbraw/zinc/88/49/01/402884901.db2.gz RFUASIXGYDPUSX-INIZCTEOSA-N 0 3 314.385 2.055 20 30 DEEDHN C=CCOc1ccc(C(=O)NCC2=CCN(C)CC2)cc1OC ZINC000271954164 402887480 /nfs/dbraw/zinc/88/74/80/402887480.db2.gz YEVOCVIDWWLUDC-UHFFFAOYSA-N 0 3 316.401 2.252 20 30 DEEDHN C#CCCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000265109977 402894613 /nfs/dbraw/zinc/89/46/13/402894613.db2.gz ZGLXRXJHRRHZDN-QGZVFWFLSA-N 0 3 315.417 2.155 20 30 DEEDHN CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1O ZINC000272469425 402941070 /nfs/dbraw/zinc/94/10/70/402941070.db2.gz RPYRPEYCOPNBAE-WMLDXEAASA-N 0 3 310.401 2.161 20 30 DEEDHN C#CCCOc1ccc(CN(C)[C@H](C)CN2CCOCC2)cc1 ZINC000279435905 402942826 /nfs/dbraw/zinc/94/28/26/402942826.db2.gz OMMDKSZOWUWQQZ-QGZVFWFLSA-N 0 3 316.445 2.241 20 30 DEEDHN C=C[C@](C)(O)CC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000279500979 402949283 /nfs/dbraw/zinc/94/92/83/402949283.db2.gz SNUWMKCNIRVZHO-SFHVURJKSA-N 0 3 317.433 2.458 20 30 DEEDHN CC(C)COCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279838020 402963469 /nfs/dbraw/zinc/96/34/69/402963469.db2.gz ZRBDRLQKRRBPNA-QGZVFWFLSA-N 0 3 313.401 2.419 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000279953808 402965715 /nfs/dbraw/zinc/96/57/15/402965715.db2.gz GTUMFDVPQYNERA-XDNAFOTISA-N 0 3 323.396 2.314 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCCCC#N)CN1Cc1ccccc1 ZINC000273068261 402967777 /nfs/dbraw/zinc/96/77/77/402967777.db2.gz IXGFCRDWNBFXEY-HOCLYGCPSA-N 0 3 300.406 2.252 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000279287552 402926574 /nfs/dbraw/zinc/92/65/74/402926574.db2.gz PDAJIKCZSJOTLG-OIISXLGYSA-N 0 3 304.434 2.124 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000272405473 402933262 /nfs/dbraw/zinc/93/32/62/402933262.db2.gz KGRKZCKVIXDECJ-ABAIWWIYSA-N 0 3 302.353 2.255 20 30 DEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000273418492 403003103 /nfs/dbraw/zinc/00/31/03/403003103.db2.gz IVNAENYELFLJHK-HIFRSBDPSA-N 0 3 309.406 2.308 20 30 DEEDHN C=C(C)CS(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000280641161 403022274 /nfs/dbraw/zinc/02/22/74/403022274.db2.gz UWHWIQUYGWMFMY-KRWDZBQOSA-N 0 3 322.474 2.346 20 30 DEEDHN CCOC[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280302655 402985460 /nfs/dbraw/zinc/98/54/60/402985460.db2.gz HHLHIQULUVQBDH-SJORKVTESA-N 0 3 311.385 2.126 20 30 DEEDHN Cc1cccnc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000267319405 403035691 /nfs/dbraw/zinc/03/56/91/403035691.db2.gz FBUAHYZKCPDJAL-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)nc2)C1 ZINC000274220660 403036259 /nfs/dbraw/zinc/03/62/59/403036259.db2.gz PQBZQJJRJNVQCT-GDBMZVCRSA-N 0 3 300.406 2.090 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000280824683 403040523 /nfs/dbraw/zinc/04/05/23/403040523.db2.gz VUZRKPGQQJMCRI-SJKOYZFVSA-N 0 3 307.390 2.480 20 30 DEEDHN C=CCc1cc(CN2CC[C@@](C)(C(=O)NC)C2)cc(OC)c1O ZINC000280891220 403047498 /nfs/dbraw/zinc/04/74/98/403047498.db2.gz DMAXTKKSXMKNOA-GOSISDBHSA-N 0 3 318.417 2.087 20 30 DEEDHN CC1(C2CCN(CCOc3ccc(C#N)cc3)CC2)OCCO1 ZINC000268122703 403050760 /nfs/dbraw/zinc/05/07/60/403050760.db2.gz NYXLJXIZVMDEHX-UHFFFAOYSA-N 0 3 316.401 2.412 20 30 DEEDHN C=CCN1CC[C@@H](N(C)CCCc2ccc3c(c2)CCO3)C1=O ZINC000281289102 403062554 /nfs/dbraw/zinc/06/25/54/403062554.db2.gz OYAPKGCHTYFSES-QGZVFWFLSA-N 0 3 314.429 2.273 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc(SC)cc2)CC1 ZINC000281447348 403069091 /nfs/dbraw/zinc/06/90/91/403069091.db2.gz OJHADZUUONVMIV-UHFFFAOYSA-N 0 3 316.470 2.412 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(N)=S)cc2)CC1 ZINC000281687895 403082032 /nfs/dbraw/zinc/08/20/32/403082032.db2.gz VCMQXQKPGOZRKM-UHFFFAOYSA-N 0 3 317.458 2.091 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N(C)CCN(C)C1CC1 ZINC000274863241 403095108 /nfs/dbraw/zinc/09/51/08/403095108.db2.gz QFLIWPKGKPKROI-UHFFFAOYSA-N 0 3 301.390 2.257 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN(CCCO)Cc2ccccc2)cc1 ZINC000268981520 403121834 /nfs/dbraw/zinc/12/18/34/403121834.db2.gz PAOKAPUUKLRNIA-IBGZPJMESA-N 0 3 310.397 2.476 20 30 DEEDHN CCOCCOCCN(C)CCCOc1cccc(C#N)c1 ZINC000276275747 403159802 /nfs/dbraw/zinc/15/98/02/403159802.db2.gz QQVDMLTWTLUSEY-UHFFFAOYSA-N 0 3 306.406 2.312 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@](C)(O)CCc2ccccc2)CC1 ZINC000283057465 403167133 /nfs/dbraw/zinc/16/71/33/403167133.db2.gz CCLPVEKZDIRKRA-LJQANCHMSA-N 0 3 316.445 2.137 20 30 DEEDHN C#CCOc1ccccc1CNC(=O)N(CCN(C)C)C(C)C ZINC000269640421 403152898 /nfs/dbraw/zinc/15/28/98/403152898.db2.gz GWPCKNWQLYHJTH-UHFFFAOYSA-N 0 3 317.433 2.180 20 30 DEEDHN C=C[C@H](CC(=O)N(CCOC)CCN(C)C)c1ccccc1 ZINC000270337634 403181590 /nfs/dbraw/zinc/18/15/90/403181590.db2.gz ZPNRMLIGJXOGQF-MRXNPFEDSA-N 0 3 304.434 2.383 20 30 DEEDHN C=C[C@@H](CC(=O)NCCN1CCN(CC)CC1)c1ccccc1 ZINC000270429083 403191135 /nfs/dbraw/zinc/19/11/35/403191135.db2.gz NPRYQVBKJFNXTI-KRWDZBQOSA-N 0 3 315.461 2.100 20 30 DEEDHN C[C@@H]1CN(c2cnc(C#N)cn2)[C@H](C)CN1Cc1ccccc1 ZINC000345335583 403292238 /nfs/dbraw/zinc/29/22/38/403292238.db2.gz ZLHRVCNHKWSCCB-HUUCEWRRSA-N 0 3 307.401 2.447 20 30 DEEDHN Cc1cc(C)c(C#N)c(NCCCN2CCCO[C@@H](C)C2)n1 ZINC000278013087 403279661 /nfs/dbraw/zinc/27/96/61/403279661.db2.gz MFGXESCXOLRXLF-HNNXBMFYSA-N 0 3 302.422 2.483 20 30 DEEDHN CC#CC(=O)Nc1cccc(C(=O)OCCN(CC)CC)c1 ZINC000285636141 403346101 /nfs/dbraw/zinc/34/61/01/403346101.db2.gz FOIZPNOKRMZOPU-UHFFFAOYSA-N 0 3 302.374 2.147 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](NCCOc1ccc(C#N)cc1)C(N)=O ZINC000292256530 403336278 /nfs/dbraw/zinc/33/62/78/403336278.db2.gz REVACDMRNBOXLV-KBXCAEBGSA-N 0 3 323.396 2.184 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN(C)CCCN(C)Cc1ccco1 ZINC000285719828 403365405 /nfs/dbraw/zinc/36/54/05/403365405.db2.gz QCJBORCDBBQBOK-UHFFFAOYSA-N 0 3 321.465 2.458 20 30 DEEDHN N#CCCOCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000292923969 403383510 /nfs/dbraw/zinc/38/35/10/403383510.db2.gz YHNXKWUSSPDRKY-UHFFFAOYSA-N 0 3 319.380 2.406 20 30 DEEDHN C[C@H](O)CN(CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298628704 403427733 /nfs/dbraw/zinc/42/77/33/403427733.db2.gz VQNNLVSPBZUXHS-HNNXBMFYSA-N 0 3 310.397 2.400 20 30 DEEDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCC[C@@H](C)C1 ZINC000298735533 403451440 /nfs/dbraw/zinc/45/14/40/403451440.db2.gz QRBOQQYTLNYGNI-VXGBXAGGSA-N 0 3 303.366 2.394 20 30 DEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](N)CC(F)F ZINC000345807317 403492462 /nfs/dbraw/zinc/49/24/62/403492462.db2.gz OWTLOESGKVJTRN-GFCCVEGCSA-N 0 3 313.304 2.092 20 30 DEEDHN C[C@H](C#N)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000345798520 403488541 /nfs/dbraw/zinc/48/85/41/403488541.db2.gz XOLSLMQPNBCLMH-CQSZACIVSA-N 0 3 312.417 2.317 20 30 DEEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)NCCCC#N ZINC000345836937 403504009 /nfs/dbraw/zinc/50/40/09/403504009.db2.gz HIYHDYYJKVXYTM-UHFFFAOYSA-N 0 3 315.421 2.243 20 30 DEEDHN CCCN(CCN(C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000339980717 403513893 /nfs/dbraw/zinc/51/38/93/403513893.db2.gz LSTOWXDBTOVRIH-UHFFFAOYSA-N 0 3 302.422 2.038 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000346453857 403589850 /nfs/dbraw/zinc/58/98/50/403589850.db2.gz HZLILKVZYVCZNQ-JQWIXIFHSA-N 0 3 305.765 2.111 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000346453859 403589883 /nfs/dbraw/zinc/58/98/83/403589883.db2.gz HZLILKVZYVCZNQ-ZYHUDNBSSA-N 0 3 305.765 2.111 20 30 DEEDHN N#Cc1ccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000293839894 403577829 /nfs/dbraw/zinc/57/78/29/403577829.db2.gz BAOMOCZQQQDGSE-KRWDZBQOSA-N 0 3 318.392 2.355 20 30 DEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000287350709 403581174 /nfs/dbraw/zinc/58/11/74/403581174.db2.gz WHVVWOFEEATQAX-WBMJQRKESA-N 0 3 301.365 2.396 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000346242975 403581580 /nfs/dbraw/zinc/58/15/80/403581580.db2.gz WGXPWCOKAFAEPN-AWEZNQCLSA-N 0 3 305.382 2.495 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(OCC)cc1 ZINC000293859068 403583539 /nfs/dbraw/zinc/58/35/39/403583539.db2.gz BBAVIQKYSRNBMY-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)NC2(C#N)CCC2)C1(CC)CC ZINC000347196280 403620351 /nfs/dbraw/zinc/62/03/51/403620351.db2.gz AGPAJZVJIJMJMD-KBPBESRZSA-N 0 3 307.438 2.122 20 30 DEEDHN COc1cccc([C@H](C)N2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000347127707 403616497 /nfs/dbraw/zinc/61/64/97/403616497.db2.gz FIJYHXIQBKVFIU-KBPBESRZSA-N 0 3 301.390 2.060 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc2ccccc2n1 ZINC000294082843 403642812 /nfs/dbraw/zinc/64/28/12/403642812.db2.gz WWLXUIYWVZMPHQ-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC(C)(C)CO ZINC000294753025 403728022 /nfs/dbraw/zinc/72/80/22/403728022.db2.gz IJWIDVCFLQLMLW-UHFFFAOYSA-N 0 3 312.417 2.409 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)CSCC#N)CCN1Cc1ccccc1 ZINC000288357386 403746707 /nfs/dbraw/zinc/74/67/07/403746707.db2.gz UESOUVYPIXBQNA-UKRRQHHQSA-N 0 3 303.431 2.022 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000343843685 403756194 /nfs/dbraw/zinc/75/61/94/403756194.db2.gz SASRIYAKSVHZBT-CVEARBPZSA-N 0 3 311.470 2.483 20 30 DEEDHN COC[C@@]1(C(=O)OC)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000295240815 403808887 /nfs/dbraw/zinc/80/88/87/403808887.db2.gz YAMRQDQENZWFPV-CXAGYDPISA-N 0 3 302.374 2.131 20 30 DEEDHN CN(C)C(=O)Nc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354468083 403818894 /nfs/dbraw/zinc/81/88/94/403818894.db2.gz PBDSFMJAGUHMQC-CYBMUJFWSA-N 0 3 309.329 2.060 20 30 DEEDHN COc1ccc(CN2CCC[C@H](CCNC(C)=O)C2)cc1C#N ZINC000347676069 403802146 /nfs/dbraw/zinc/80/21/46/403802146.db2.gz MIKNWHFASFWTAU-OAHLLOKOSA-N 0 3 315.417 2.305 20 30 DEEDHN CCCCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(C)CCC#N)C1(C)C ZINC000347681263 403803438 /nfs/dbraw/zinc/80/34/38/403803438.db2.gz BISAKCXUAVRHGJ-SOUVJXGZSA-N 0 3 309.454 2.320 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1c(C)cccc1C ZINC000354532863 403859942 /nfs/dbraw/zinc/85/99/42/403859942.db2.gz BNDHXNRMSJWVEU-KGLIPLIRSA-N 0 3 303.406 2.354 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000411641724 403920930 /nfs/dbraw/zinc/92/09/30/403920930.db2.gz MCJLFZNJERQXOI-INIZCTEOSA-N 0 3 303.450 2.478 20 30 DEEDHN CC#CCN(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000362569098 403966367 /nfs/dbraw/zinc/96/63/67/403966367.db2.gz MXJNGCNRXJPYHQ-AWEZNQCLSA-N 0 3 306.431 2.243 20 30 DEEDHN C=CCOc1ccc(CNCCc2ccn(C)n2)cc1OC ZINC000354666781 403938052 /nfs/dbraw/zinc/93/80/52/403938052.db2.gz FTDUWRNEUZBPOI-UHFFFAOYSA-N 0 3 301.390 2.326 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](CO)C[C@H]1C ZINC000344151644 403942697 /nfs/dbraw/zinc/94/26/97/403942697.db2.gz SXWIWAVNTBXVNS-HIFRSBDPSA-N 0 3 304.390 2.038 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CCCC[C@H]1O ZINC000305834322 403947403 /nfs/dbraw/zinc/94/74/03/403947403.db2.gz WMRDIPCAYAXWLI-BZUAXINKSA-N 0 3 321.465 2.200 20 30 DEEDHN CO[C@@H](C)CN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289847147 404004415 /nfs/dbraw/zinc/00/44/15/404004415.db2.gz PTENJSCNVANTNJ-AWEZNQCLSA-N 0 3 313.405 2.325 20 30 DEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000289904310 404008215 /nfs/dbraw/zinc/00/82/15/404008215.db2.gz UCRQGTURKDYVSY-UKRRQHHQSA-N 0 3 301.390 2.197 20 30 DEEDHN C=CCOCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000354786468 404011732 /nfs/dbraw/zinc/01/17/32/404011732.db2.gz AEIYMOYSERTMBA-UHFFFAOYSA-N 0 3 314.429 2.238 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)c1F ZINC000411965276 404035403 /nfs/dbraw/zinc/03/54/03/404035403.db2.gz KBUSZUSUGOQLSZ-IBGZPJMESA-N 0 3 323.371 2.326 20 30 DEEDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000411965454 404035774 /nfs/dbraw/zinc/03/57/74/404035774.db2.gz FKNFIYSDPIAEIO-PXAZEXFGSA-N 0 3 301.390 2.290 20 30 DEEDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000411956273 404032173 /nfs/dbraw/zinc/03/21/73/404032173.db2.gz VGXZKRPLKOWOSX-SJKOYZFVSA-N 0 3 319.405 2.500 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@H](CC)CO)C1=O ZINC000337201480 403973867 /nfs/dbraw/zinc/97/38/67/403973867.db2.gz FZTIVPUAWFXZRU-SJORKVTESA-N 0 3 302.418 2.046 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C)cnc2OC(C)C)CC1 ZINC000296085185 404086855 /nfs/dbraw/zinc/08/68/55/404086855.db2.gz LUKYKCINWRKPBN-UHFFFAOYSA-N 0 3 315.417 2.461 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H](C(C)C)C1=O)C(C)C ZINC000348145169 404045833 /nfs/dbraw/zinc/04/58/33/404045833.db2.gz OPHIVCHFRVOWRF-GJZGRUSLSA-N 0 3 307.438 2.261 20 30 DEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000348398104 404066161 /nfs/dbraw/zinc/06/61/61/404066161.db2.gz HLZPTGHZOUPMGK-JQFCIGGWSA-N 0 3 311.385 2.172 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)N(C)CCC#N)C12CCCCC2 ZINC000348440342 404070639 /nfs/dbraw/zinc/07/06/39/404070639.db2.gz IXHMOEQQFGAACQ-OWCLPIDISA-N 0 3 321.465 2.464 20 30 DEEDHN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000328603008 404112574 /nfs/dbraw/zinc/11/25/74/404112574.db2.gz HJXSUSBNNMWTIO-ZWNOBZJWSA-N 0 3 317.393 2.171 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2coc(C3CCOCC3)n2)CN1C1CC1 ZINC000328732813 404141015 /nfs/dbraw/zinc/14/10/15/404141015.db2.gz HJAPIUYUAOOECX-DGCLKSJQSA-N 0 3 319.405 2.498 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000296229689 404154121 /nfs/dbraw/zinc/15/41/21/404154121.db2.gz JTWPOIRTQJNAQM-ZDUSSCGKSA-N 0 3 321.396 2.150 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC ZINC000329068955 404220014 /nfs/dbraw/zinc/22/00/14/404220014.db2.gz XXEFGNJHJURKFE-CBBWQLFWSA-N 0 3 322.453 2.214 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[C@@H]2C1 ZINC000412249625 404208783 /nfs/dbraw/zinc/20/87/83/404208783.db2.gz LZCXKQPXOYWGMD-BZZMCLGOSA-N 0 3 309.413 2.214 20 30 DEEDHN O=C(NCC1(O)CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000329132832 404240385 /nfs/dbraw/zinc/24/03/85/404240385.db2.gz YOTNIIIOQRWRPU-INIZCTEOSA-N 0 3 317.433 2.070 20 30 DEEDHN C[C@@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCC[C@@H](C)C1 ZINC000349876659 404241174 /nfs/dbraw/zinc/24/11/74/404241174.db2.gz REALJPPGYTZWMI-KGLIPLIRSA-N 0 3 317.408 2.476 20 30 DEEDHN CCc1nn(C)cc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000329181462 404256836 /nfs/dbraw/zinc/25/68/36/404256836.db2.gz OQDDZHXCROXJOL-UHFFFAOYSA-N 0 3 319.453 2.478 20 30 DEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000329192469 404261055 /nfs/dbraw/zinc/26/10/55/404261055.db2.gz SBWXSQQIRKBNAJ-ZDUSSCGKSA-N 0 3 316.405 2.117 20 30 DEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000329192469 404261069 /nfs/dbraw/zinc/26/10/69/404261069.db2.gz SBWXSQQIRKBNAJ-ZDUSSCGKSA-N 0 3 316.405 2.117 20 30 DEEDHN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000329296191 404293257 /nfs/dbraw/zinc/29/32/57/404293257.db2.gz KJIPRWQGRWOLSO-KMFMINBZSA-N 0 3 310.438 2.137 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000290759648 404300762 /nfs/dbraw/zinc/30/07/62/404300762.db2.gz OMVHMGZDBPDUFS-GOSISDBHSA-N 0 3 317.433 2.094 20 30 DEEDHN CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329701888 404428025 /nfs/dbraw/zinc/42/80/25/404428025.db2.gz HQEYXNITWSPFDE-AWEZNQCLSA-N 0 3 319.453 2.193 20 30 DEEDHN CN(C)C[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccc(F)cc1 ZINC000355844041 404371541 /nfs/dbraw/zinc/37/15/41/404371541.db2.gz LSFWHIJSEZIRGS-OAHLLOKOSA-N 0 3 318.396 2.421 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)s1 ZINC000329579570 404382830 /nfs/dbraw/zinc/38/28/30/404382830.db2.gz PKZGMURRYJPTML-JFGNBEQYSA-N 0 3 311.455 2.236 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000356197107 404399122 /nfs/dbraw/zinc/39/91/22/404399122.db2.gz CUSBEFFLWPUHDO-TYNCELHUSA-N 0 3 317.364 2.154 20 30 DEEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1cccc(C)c1C#N ZINC000352501458 404418286 /nfs/dbraw/zinc/41/82/86/404418286.db2.gz VAKJAQAKQZFMEB-AWEZNQCLSA-N 0 3 321.446 2.019 20 30 DEEDHN CCCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(C)c1C#N ZINC000352501459 404418636 /nfs/dbraw/zinc/41/86/36/404418636.db2.gz VAKJAQAKQZFMEB-CQSZACIVSA-N 0 3 321.446 2.019 20 30 DEEDHN Cn1cc(CNC[C@@H](CO)c2ccccc2Cl)cc1C#N ZINC000342311208 404502085 /nfs/dbraw/zinc/50/20/85/404502085.db2.gz VKJPCFIGBPJSFV-ZDUSSCGKSA-N 0 3 303.793 2.416 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)Cc1c[nH]c2nccnc12 ZINC000356326360 404451031 /nfs/dbraw/zinc/45/10/31/404451031.db2.gz XHAXMTFHLUFQIK-UHFFFAOYSA-N 0 3 321.384 2.430 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000350730783 404452495 /nfs/dbraw/zinc/45/24/95/404452495.db2.gz VXTFYIMYGWYQTB-KKUMJFAQSA-N 0 3 319.453 2.235 20 30 DEEDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000330197168 404581953 /nfs/dbraw/zinc/58/19/53/404581953.db2.gz RKRYVKPAGBYTNI-DRRXZNNHSA-N 0 3 323.481 2.256 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC1CCN(CC=C)CC1 ZINC000342367903 404536621 /nfs/dbraw/zinc/53/66/21/404536621.db2.gz LMMRKYWSABOHJO-UHFFFAOYSA-N 0 3 301.390 2.027 20 30 DEEDHN COc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345107244 404553723 /nfs/dbraw/zinc/55/37/23/404553723.db2.gz CHFXKCZGCCPWPE-STQMWFEESA-N 0 3 301.390 2.297 20 30 DEEDHN Cc1cc(C[C@H](C)NC(=O)N2CC[C@H](N3CCCCC3)C2)[nH]n1 ZINC000330172907 404572140 /nfs/dbraw/zinc/57/21/40/404572140.db2.gz GVKGJXTUEBFSST-BBRMVZONSA-N 0 3 319.453 2.123 20 30 DEEDHN CC(C)(C)[C@H](C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000292068402 404654606 /nfs/dbraw/zinc/65/46/06/404654606.db2.gz ZXOCXLRBRTVVGO-RDBSUJKOSA-N 0 3 300.358 2.345 20 30 DEEDHN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cn1 ZINC000330258753 404605180 /nfs/dbraw/zinc/60/51/80/404605180.db2.gz ROYYEBWCYSSKGQ-IVMMDQJWSA-N 0 3 317.437 2.426 20 30 DEEDHN CCCc1nc(C)c(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)o1 ZINC000330258598 404605626 /nfs/dbraw/zinc/60/56/26/404605626.db2.gz MONYAPVRJOMNSC-UONOGXRCSA-N 0 3 320.437 2.376 20 30 DEEDHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000330268854 404607222 /nfs/dbraw/zinc/60/72/22/404607222.db2.gz IXSNFAXVAJRHIN-HDMKZQKVSA-N 0 3 321.465 2.466 20 30 DEEDHN CC(C)NC(=O)[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352850991 404662956 /nfs/dbraw/zinc/66/29/56/404662956.db2.gz YTMQNQXHOKSRRS-RYUDHWBXSA-N 0 3 306.435 2.188 20 30 DEEDHN O=C(Nc1nccn1-c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000330283166 404615245 /nfs/dbraw/zinc/61/52/45/404615245.db2.gz WAMGTOKWEBUHRG-MRXNPFEDSA-N 0 3 323.400 2.364 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(S(C)(=O)=O)s1 ZINC000414444514 404634735 /nfs/dbraw/zinc/63/47/35/404634735.db2.gz KVQXDJXVRCCRMC-RISCZKNCSA-N 0 3 315.460 2.222 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000357966972 404749821 /nfs/dbraw/zinc/74/98/21/404749821.db2.gz BAQFPKWKEHEKRS-LBPRGKRZSA-N 0 3 301.381 2.324 20 30 DEEDHN CCOc1ccc2c(c1)CCN(CCC(=O)N(C)CCC#N)C2 ZINC000357008745 404724183 /nfs/dbraw/zinc/72/41/83/404724183.db2.gz QIMFMLNCVSRHBV-UHFFFAOYSA-N 0 3 315.417 2.206 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1c(F)cccc1C#N ZINC000353236676 404778249 /nfs/dbraw/zinc/77/82/49/404778249.db2.gz UHDSBAVXZVCBJT-LRDDRELGSA-N 0 3 303.381 2.038 20 30 DEEDHN Cn1nccc1[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000366265734 404782355 /nfs/dbraw/zinc/78/23/55/404782355.db2.gz FWXISGMDDYOAQP-AEFFLSMTSA-N 0 3 310.401 2.205 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)CC1CCC1 ZINC000359354819 404791066 /nfs/dbraw/zinc/79/10/66/404791066.db2.gz YNSWVHSGHJDKHE-DLBZAZTESA-N 0 3 300.402 2.426 20 30 DEEDHN CC(C#N)C(=O)N[C@H](CCO)c1ccccc1Br ZINC000359607010 404798303 /nfs/dbraw/zinc/79/83/03/404798303.db2.gz BYRAENAZQNBMBJ-BXKDBHETSA-N 0 3 311.179 2.148 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)N(C)CC(F)(F)F)CC1 ZINC000353324475 404801983 /nfs/dbraw/zinc/80/19/83/404801983.db2.gz FXTNPSMBBMTVNN-LBPRGKRZSA-N 0 3 321.387 2.026 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCC1(N(C)C)CCC1 ZINC000353347222 404808741 /nfs/dbraw/zinc/80/87/41/404808741.db2.gz BLMQCXKDQRBJEB-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN CC[C@@H](C)N[C@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccco1 ZINC000353356135 404811148 /nfs/dbraw/zinc/81/11/48/404811148.db2.gz RIIOIAMFBANJSX-BXUZGUMPSA-N 0 3 300.362 2.339 20 30 DEEDHN CC(C)(C)NC(=O)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000353403406 404823373 /nfs/dbraw/zinc/82/33/73/404823373.db2.gz MHWAEJSFTLMXGP-UHFFFAOYSA-N 0 3 314.433 2.031 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@H](C)NC(C)=O)CC1 ZINC000360613701 404832402 /nfs/dbraw/zinc/83/24/02/404832402.db2.gz POCQEGAZEYLEET-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000358722198 404773489 /nfs/dbraw/zinc/77/34/89/404773489.db2.gz JTWZVZWQPCYVGC-UHFFFAOYSA-N 0 3 321.465 2.123 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](CO)CC2CCCCC2)CC1 ZINC000416699296 404885376 /nfs/dbraw/zinc/88/53/76/404885376.db2.gz XJBVJNDUBIYOFC-KRWDZBQOSA-N 0 3 323.481 2.267 20 30 DEEDHN CC#CCCNC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000360969362 404865876 /nfs/dbraw/zinc/86/58/76/404865876.db2.gz RPTJERNORMRFHL-UHFFFAOYSA-N 0 3 309.406 2.041 20 30 DEEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@H](C(C)=O)C2(C)C)CC1 ZINC000353770849 404965722 /nfs/dbraw/zinc/96/57/22/404965722.db2.gz IECWSTOWOVRYMO-GDBMZVCRSA-N 0 3 306.450 2.394 20 30 DEEDHN N#Cc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1F ZINC000367217442 404970182 /nfs/dbraw/zinc/97/01/82/404970182.db2.gz NENMDGCQXKKRNP-HNNXBMFYSA-N 0 3 301.365 2.398 20 30 DEEDHN N#Cc1cccc(C2(C(=O)NC3CCN(C4CC4)CC3)CC2)c1 ZINC000435039547 404952701 /nfs/dbraw/zinc/95/27/01/404952701.db2.gz HMVVKUHVSZXEPN-UHFFFAOYSA-N 0 3 309.413 2.333 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1Br ZINC000424088321 405001438 /nfs/dbraw/zinc/00/14/38/405001438.db2.gz UBAGQEKUFVYEPO-LBPRGKRZSA-N 0 3 310.195 2.086 20 30 DEEDHN CC(C)c1ccc(OCCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424090830 405002322 /nfs/dbraw/zinc/00/23/22/405002322.db2.gz LLYUSTGOUROWTA-INIZCTEOSA-N 0 3 303.406 2.326 20 30 DEEDHN C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424095947 405004449 /nfs/dbraw/zinc/00/44/49/405004449.db2.gz XXZYWUQXRXDHSD-KBPBESRZSA-N 0 3 300.406 2.127 20 30 DEEDHN COCCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1ccccc1 ZINC000424095443 405004710 /nfs/dbraw/zinc/00/47/10/405004710.db2.gz NTKPAZJFUZXPJE-GOEBONIOSA-N 0 3 303.406 2.244 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000424099002 405005811 /nfs/dbraw/zinc/00/58/11/405005811.db2.gz FCBGCPVOECJEIR-UONOGXRCSA-N 0 3 305.353 2.177 20 30 DEEDHN CO[C@@]1(C)C[C@@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000451481658 405008096 /nfs/dbraw/zinc/00/80/96/405008096.db2.gz BDVTYKPOKKWINB-CJNGLKHVSA-N 0 3 307.438 2.122 20 30 DEEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](COC)Cc1ccccc1 ZINC000424120164 405012671 /nfs/dbraw/zinc/01/26/71/405012671.db2.gz GYSOOUBIFMKLHK-SJORKVTESA-N 0 3 317.433 2.114 20 30 DEEDHN CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H](N)CCCC#N ZINC000424123705 405014402 /nfs/dbraw/zinc/01/44/02/405014402.db2.gz KUJPMMOXHXJDGJ-QMMMGPOBSA-N 0 3 320.340 2.141 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(F)c1 ZINC000424126384 405015219 /nfs/dbraw/zinc/01/52/19/405015219.db2.gz SWVVIVUNUQHILD-ZFWWWQNUSA-N 0 3 307.369 2.120 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000424128797 405015780 /nfs/dbraw/zinc/01/57/80/405015780.db2.gz CGIZOAUOGKFJSU-CYBMUJFWSA-N 0 3 321.450 2.089 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000424135403 405017976 /nfs/dbraw/zinc/01/79/76/405017976.db2.gz MFXQHBHRYSISCL-RDJZCZTQSA-N 0 3 308.385 2.308 20 30 DEEDHN COc1cc(F)c([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424135181 405018029 /nfs/dbraw/zinc/01/80/29/405018029.db2.gz JAGOTMFKFJODLY-GXFFZTMASA-N 0 3 323.368 2.041 20 30 DEEDHN CCCCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)C1(C)C ZINC000424147699 405022214 /nfs/dbraw/zinc/02/22/14/405022214.db2.gz DAAKYKPGYPNHEK-RRFJBIMHSA-N 0 3 309.454 2.450 20 30 DEEDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1[N+](=O)[O-] ZINC000424149395 405022734 /nfs/dbraw/zinc/02/27/34/405022734.db2.gz HCWWGRRDIPYCTA-DGCLKSJQSA-N 0 3 304.350 2.102 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000424164319 405026729 /nfs/dbraw/zinc/02/67/29/405026729.db2.gz CBIBTHPOVRCFEE-XIRDDKMYSA-N 0 3 315.417 2.292 20 30 DEEDHN CCOc1ccc(Cl)cc1CCNC(=O)[C@H](N)CCCC#N ZINC000424174540 405029958 /nfs/dbraw/zinc/02/99/58/405029958.db2.gz PGUXXQXJUNPBJJ-CQSZACIVSA-N 0 3 323.824 2.419 20 30 DEEDHN CC1(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c2cc(N)ccc2O1 ZINC000424177177 405030931 /nfs/dbraw/zinc/03/09/31/405030931.db2.gz PSARWQNOBRCHFU-ZIAGYGMSSA-N 0 3 316.405 2.008 20 30 DEEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424182283 405032022 /nfs/dbraw/zinc/03/20/22/405032022.db2.gz GKQXDJOSJZPUIB-ARFHVFGLSA-N 0 3 309.454 2.498 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1N1CCCCC1 ZINC000424188396 405033528 /nfs/dbraw/zinc/03/35/28/405033528.db2.gz JRZRFPHENGGNLS-INIZCTEOSA-N 0 3 314.433 2.314 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000367227837 404974154 /nfs/dbraw/zinc/97/41/54/404974154.db2.gz ZUGODTFGSQQPQZ-MRXNPFEDSA-N 0 3 300.402 2.170 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451424973 404990974 /nfs/dbraw/zinc/99/09/74/404990974.db2.gz SZMAREGOOSFMNH-ZACQAIPSSA-N 0 3 313.401 2.122 20 30 DEEDHN CN(Cc1ccc(Br)cc1)C(=O)[C@H](N)CCCC#N ZINC000424072967 404995203 /nfs/dbraw/zinc/99/52/03/404995203.db2.gz DPOJXFGBLGKNMS-CYBMUJFWSA-N 0 3 324.222 2.429 20 30 DEEDHN CN(C)C1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000416308112 405098182 /nfs/dbraw/zinc/09/81/82/405098182.db2.gz ONOHJAKBGQHADK-UHFFFAOYSA-N 0 3 310.357 2.037 20 30 DEEDHN C=CCn1cc(CN[C@@H](C)Cc2ccc(OC)c(OC)c2)nn1 ZINC000424297075 405060672 /nfs/dbraw/zinc/06/06/72/405060672.db2.gz PURLRPWIXJWLFV-ZDUSSCGKSA-N 0 3 316.405 2.202 20 30 DEEDHN C=CCC(C)(C)CNC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424461713 405102006 /nfs/dbraw/zinc/10/20/06/405102006.db2.gz DHRBZFBTKJOROT-UHFFFAOYSA-N 0 3 303.406 2.111 20 30 DEEDHN COc1cc(NC(=O)C(C)(C)C#N)ccc1OCCN(C)C ZINC000416337618 405109854 /nfs/dbraw/zinc/10/98/54/405109854.db2.gz AOTQUTVJJRFCBA-UHFFFAOYSA-N 0 3 305.378 2.124 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000452027903 405131820 /nfs/dbraw/zinc/13/18/20/405131820.db2.gz WMCCDPFUEIQBGX-DAXOMENPSA-N 0 3 301.390 2.432 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C#N)s1 ZINC000568380039 292336116 /nfs/dbraw/zinc/33/61/16/292336116.db2.gz USESKLJLMHICES-GFCCVEGCSA-N 0 3 306.435 2.245 20 30 DEEDHN C=CCCn1cc(C(=O)N(CCN(C)C)C2CCCCC2)nn1 ZINC000424658754 405141147 /nfs/dbraw/zinc/14/11/47/405141147.db2.gz FONWUWWPMAJQFX-UHFFFAOYSA-N 0 3 319.453 2.191 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418634722 405144891 /nfs/dbraw/zinc/14/48/91/405144891.db2.gz JQTBLVDTWLDTRM-HNNXBMFYSA-N 0 3 300.406 2.065 20 30 DEEDHN C=CCCn1cc(C(=O)Nc2ccc(CN(C)C)cc2F)nn1 ZINC000424887658 405205993 /nfs/dbraw/zinc/20/59/93/405205993.db2.gz VHAWUQUMTZFKGC-UHFFFAOYSA-N 0 3 317.368 2.307 20 30 DEEDHN CC(C#N)C(=O)NCc1nc2ccc(Br)cc2o1 ZINC000425327309 405273921 /nfs/dbraw/zinc/27/39/21/405273921.db2.gz MRXHMHGZNDWUMY-SSDOTTSWSA-N 0 3 308.135 2.366 20 30 DEEDHN C=CCN(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439419438 405277955 /nfs/dbraw/zinc/27/79/55/405277955.db2.gz HEYCWHLNDIMWEN-GFCCVEGCSA-N 0 3 318.186 2.446 20 30 DEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000419184691 405226705 /nfs/dbraw/zinc/22/67/05/405226705.db2.gz DCKKVEOAJPXNRO-OAHLLOKOSA-N 0 3 318.417 2.209 20 30 DEEDHN CN(CCNC(=O)N[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000425417845 405287707 /nfs/dbraw/zinc/28/77/07/405287707.db2.gz NIJAMVSVWTYRGC-JKSUJKDBSA-N 0 3 300.406 2.110 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1F ZINC000454223551 405312536 /nfs/dbraw/zinc/31/25/36/405312536.db2.gz ZDSCJJSSXIOXQN-UHFFFAOYSA-N 0 3 316.380 2.123 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCC[C@@H]2CCOC2)CC1 ZINC000454464966 405349317 /nfs/dbraw/zinc/34/93/17/405349317.db2.gz OFTUNPZNWPWFAQ-OAHLLOKOSA-N 0 3 309.454 2.143 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429382066 405427839 /nfs/dbraw/zinc/42/78/39/405427839.db2.gz WKXJWIVCABRSBW-JYJNAYRXSA-N 0 3 324.465 2.319 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC2(F)F)CC1 ZINC000454542940 405361255 /nfs/dbraw/zinc/36/12/55/405361255.db2.gz LNCYINHDBVLTMH-LBPRGKRZSA-N 0 3 301.381 2.371 20 30 DEEDHN C=CCN1CCC(NC(=O)NCC2(COC)CCCC2)CC1 ZINC000454555527 405363470 /nfs/dbraw/zinc/36/34/70/405363470.db2.gz YERJBOQPDCRSDN-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1S(C)(=O)=O ZINC000430741848 405500459 /nfs/dbraw/zinc/50/04/59/405500459.db2.gz FEEXORKJAVWCEN-GFCCVEGCSA-N 0 3 322.430 2.443 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\c1ncc[nH]1)C(C)C ZINC000493582496 405545261 /nfs/dbraw/zinc/54/52/61/405545261.db2.gz JOUVZBPIRJYGOS-ZPIQOJFGSA-N 0 3 302.422 2.238 20 30 DEEDHN N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1ccncn1 ZINC000580510792 405628290 /nfs/dbraw/zinc/62/82/90/405628290.db2.gz PYKLZKAXAQNGAP-HUUCEWRRSA-N 0 3 309.325 2.134 20 30 DEEDHN N#CC(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1ccncn1 ZINC000580510792 405628299 /nfs/dbraw/zinc/62/82/99/405628299.db2.gz PYKLZKAXAQNGAP-HUUCEWRRSA-N 0 3 309.325 2.134 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)CSc1ccc(C#N)cc1 ZINC000421700235 405593965 /nfs/dbraw/zinc/59/39/65/405593965.db2.gz DHWOLKYWJFUNSN-CQSZACIVSA-N 0 3 303.431 2.203 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCCS(=O)(=O)c1ccccc1 ZINC000580185281 405602947 /nfs/dbraw/zinc/60/29/47/405602947.db2.gz DNOHQKMZDCFDJA-ZBFHGGJFSA-N 0 3 309.431 2.031 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2c(F)cccc2C#N)C1 ZINC000457101015 405700285 /nfs/dbraw/zinc/70/02/85/405700285.db2.gz XLTFLNWVWYDYKU-AWEZNQCLSA-N 0 3 303.381 2.181 20 30 DEEDHN CC[C@@H]1CN(CCN[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000494438244 405696897 /nfs/dbraw/zinc/69/68/97/405696897.db2.gz QEQSTUGULULOSQ-UKRRQHHQSA-N 0 3 305.397 2.459 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cn[nH]c1 ZINC000582396291 405718730 /nfs/dbraw/zinc/71/87/30/405718730.db2.gz BWZMHTUAWWHGAD-BBRMVZONSA-N 0 3 301.390 2.229 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000582433079 405731107 /nfs/dbraw/zinc/73/11/07/405731107.db2.gz LWDWGCFKIAUZTF-TZMCWYRMSA-N 0 3 300.406 2.112 20 30 DEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c(F)c1 ZINC000559465792 405738658 /nfs/dbraw/zinc/73/86/58/405738658.db2.gz BRKYJKSZQSUVIE-IRXDYDNUSA-N 0 3 304.365 2.107 20 30 DEEDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1c(F)cccc1C#N ZINC000560482766 405829657 /nfs/dbraw/zinc/82/96/57/405829657.db2.gz TXSYLWBWDLQXKN-CQSZACIVSA-N 0 3 303.381 2.183 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495442332 405899043 /nfs/dbraw/zinc/89/90/43/405899043.db2.gz FNAJOVJTLHVVCK-MLGOLLRUSA-N 0 3 307.394 2.006 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000495828233 405935794 /nfs/dbraw/zinc/93/57/94/405935794.db2.gz VAEVTLNSJMORHB-KGLIPLIRSA-N 0 3 307.394 2.150 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000495836842 405935951 /nfs/dbraw/zinc/93/59/51/405935951.db2.gz PGQBOBRTBSSCNJ-CHWSQXEVSA-N 0 3 309.410 2.442 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000495828235 405936643 /nfs/dbraw/zinc/93/66/43/405936643.db2.gz VAEVTLNSJMORHB-ZIAGYGMSSA-N 0 3 307.394 2.150 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000433223902 405903319 /nfs/dbraw/zinc/90/33/19/405903319.db2.gz UUMZBSOVWJCELP-QGZVFWFLSA-N 0 3 321.380 2.174 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@@H](C#N)CCC#N)C1 ZINC000495542594 405922414 /nfs/dbraw/zinc/92/24/14/405922414.db2.gz PHDSWAWQWWKIDI-KFWWJZLASA-N 0 3 306.410 2.277 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000566006151 406084738 /nfs/dbraw/zinc/08/47/38/406084738.db2.gz HFLNHHKNOGFOHD-BHYGNILZSA-N 0 3 312.417 2.062 20 30 DEEDHN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@@H](N)CCCC#N ZINC000564913690 406068207 /nfs/dbraw/zinc/06/82/07/406068207.db2.gz UBUKKQCSHWDASX-JTQLQIEISA-N 0 3 305.769 2.186 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(N(C)C)c(F)c2)CC1 ZINC000517309985 406125604 /nfs/dbraw/zinc/12/56/04/406125604.db2.gz PTPLMEOQBFTEPX-UHFFFAOYSA-N 0 3 305.397 2.272 20 30 DEEDHN N#CCC[C@H](C#N)CNCCCC(=O)N1Cc2ccccc2C1 ZINC000567726617 406126638 /nfs/dbraw/zinc/12/66/38/406126638.db2.gz MTOBHWXWMPPPDZ-OAHLLOKOSA-N 0 3 310.401 2.342 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000567847018 406147116 /nfs/dbraw/zinc/14/71/16/406147116.db2.gz AECVWHGQQIEVRP-OAHLLOKOSA-N 0 3 322.412 2.480 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000567847017 406147511 /nfs/dbraw/zinc/14/75/11/406147511.db2.gz AECVWHGQQIEVRP-HNNXBMFYSA-N 0 3 322.412 2.480 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000632616834 406201600 /nfs/dbraw/zinc/20/16/00/406201600.db2.gz LOUQZFJEHGBSEO-WBVHZDCISA-N 0 3 322.474 2.250 20 30 DEEDHN CCOCCC1(CNCc2cnc3c(C#N)cnn3c2)CCC1 ZINC000569456481 406257157 /nfs/dbraw/zinc/25/71/57/406257157.db2.gz IKSKIWLPXIZWKP-UHFFFAOYSA-N 0 3 313.405 2.287 20 30 DEEDHN CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000487999854 406283879 /nfs/dbraw/zinc/28/38/79/406283879.db2.gz NNGQPHLPBRDNAF-PBHICJAKSA-N 0 3 314.433 2.157 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCC[C@H]1C ZINC000487997098 406284137 /nfs/dbraw/zinc/28/41/37/406284137.db2.gz DNMKGFYPBYJETN-HLLBOEOZSA-N 0 3 309.454 2.178 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000488517793 406326482 /nfs/dbraw/zinc/32/64/82/406326482.db2.gz PFGICRWGARYHGL-WBVHZDCISA-N 0 3 302.418 2.216 20 30 DEEDHN C=CCn1cccc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000488767842 406346705 /nfs/dbraw/zinc/34/67/05/406346705.db2.gz LBHLETVDSHAOQA-UHFFFAOYSA-N 0 3 319.449 2.293 20 30 DEEDHN Cc1cnc([C@H](C)CNCc2cnc3c(C#N)cnn3c2)s1 ZINC000570162241 406354608 /nfs/dbraw/zinc/35/46/08/406354608.db2.gz FAHIXEIWCSQOIO-SNVBAGLBSA-N 0 3 312.402 2.259 20 30 DEEDHN Cc1cc(CN2CCOCC3(CCOCC3)C2)ccc1C#N ZINC000488256028 406305947 /nfs/dbraw/zinc/30/59/47/406305947.db2.gz AAADOHXKFBNFAH-UHFFFAOYSA-N 0 3 300.402 2.496 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2csc(C)c2)CC1 ZINC000635050884 406411578 /nfs/dbraw/zinc/41/15/78/406411578.db2.gz VPBFNRCUBGYHLQ-UHFFFAOYSA-N 0 3 321.446 2.152 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000490574481 406471665 /nfs/dbraw/zinc/47/16/65/406471665.db2.gz YOHVEYRBWWILQF-CJNGLKHVSA-N 0 3 300.402 2.364 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000490678981 406481993 /nfs/dbraw/zinc/48/19/93/406481993.db2.gz QFCWMNXICSNXNI-UHFFFAOYSA-N 0 3 310.401 2.165 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000491118484 406530157 /nfs/dbraw/zinc/53/01/57/406530157.db2.gz DPVGJAOPVWBVPB-UHFFFAOYSA-N 0 3 322.412 2.038 20 30 DEEDHN C#CCNC(=O)C1CCN(Cc2ccccc2SC)CC1 ZINC000491202231 406543700 /nfs/dbraw/zinc/54/37/00/406543700.db2.gz MVYKLGRRJCFLLY-UHFFFAOYSA-N 0 3 302.443 2.370 20 30 DEEDHN C#CCNC(=O)C1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000491203649 406543782 /nfs/dbraw/zinc/54/37/82/406543782.db2.gz YFCZLVVGAQXRMR-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C#CCNC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000491067921 406523603 /nfs/dbraw/zinc/52/36/03/406523603.db2.gz LJSBJEIGMYPVRA-UHFFFAOYSA-N 0 3 320.820 2.180 20 30 DEEDHN C#CCN(Cc1ccccc1)C(=S)NC[C@@H]1CCCN1CC ZINC000491071700 406525051 /nfs/dbraw/zinc/52/50/51/406525051.db2.gz MXERDPIFRJYFFC-KRWDZBQOSA-N 0 3 315.486 2.481 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)NCCN(C)Cc1ccccc1 ZINC000549945161 406596020 /nfs/dbraw/zinc/59/60/20/406596020.db2.gz XNZCCZROJMICJX-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000491348733 406572845 /nfs/dbraw/zinc/57/28/45/406572845.db2.gz FFZFYCOKRLEDOP-YJBOKZPZSA-N 0 3 311.429 2.314 20 30 DEEDHN C#C[C@@H](NC[C@@H](O)COc1ccc(CC=C)cc1OC)C(C)C ZINC000491381478 406581264 /nfs/dbraw/zinc/58/12/64/406581264.db2.gz FNHNXEJSAXAZJY-IAGOWNOFSA-N 0 3 317.429 2.411 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC000491682066 406666970 /nfs/dbraw/zinc/66/69/70/406666970.db2.gz PPPLISZSMHJHRV-GMRZMDSISA-N 0 3 303.402 2.422 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000491703489 406678726 /nfs/dbraw/zinc/67/87/26/406678726.db2.gz NSCQIILXQWGYMC-UHFFFAOYSA-N 0 3 320.383 2.458 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000491634348 406643153 /nfs/dbraw/zinc/64/31/53/406643153.db2.gz QSMBZLALJRGGJG-OWBHPGMISA-N 0 3 318.392 2.309 20 30 DEEDHN C#CCN(C)CCCNC(=O)CSc1ccc(OCC)cc1 ZINC000491817980 406734509 /nfs/dbraw/zinc/73/45/09/406734509.db2.gz ZZZUPNKDIVCZQX-UHFFFAOYSA-N 0 3 320.458 2.249 20 30 DEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000491820458 406735316 /nfs/dbraw/zinc/73/53/16/406735316.db2.gz ROWDFECGDRJUPD-UHFFFAOYSA-N 0 3 319.361 2.276 20 30 DEEDHN C#C[C@H](CCC)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000491776407 406712660 /nfs/dbraw/zinc/71/26/60/406712660.db2.gz WADTTWZMIDVDEO-MRXNPFEDSA-N 0 3 317.433 2.228 20 30 DEEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491784862 406718981 /nfs/dbraw/zinc/71/89/81/406718981.db2.gz QGVSEJKPTURNSN-QWHCGFSZSA-N 0 3 304.390 2.422 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCS(=O)(=O)C1 ZINC000552922703 406728246 /nfs/dbraw/zinc/72/82/46/406728246.db2.gz OVFYUDQGQAWQQW-ZBFHGGJFSA-N 0 3 304.415 2.102 20 30 DEEDHN C[C@@H]1CCN(CCNC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000491950648 406788281 /nfs/dbraw/zinc/78/82/81/406788281.db2.gz CLYRLMPCBIBUCS-NFBGWVBBSA-N 0 3 313.401 2.060 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000577154587 406835476 /nfs/dbraw/zinc/83/54/76/406835476.db2.gz VFXLZYZCPSYLOP-JONQDZQNSA-N 0 3 309.454 2.282 20 30 DEEDHN N#CC(C(=O)c1c[nH]c(C(N)=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000643779390 407045357 /nfs/dbraw/zinc/04/53/57/407045357.db2.gz KCZHMDBTLJFQQQ-VIFPVBQESA-N 0 3 322.246 2.017 20 30 DEEDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000136203798 196526217 /nfs/dbraw/zinc/52/62/17/196526217.db2.gz XZAMYSWWORMNOY-KRWDZBQOSA-N 0 3 310.401 2.237 20 30 DEEDHN N#CC(C(=O)c1ccc(C(N)=O)cc1)c1cnc2ccccc2n1 ZINC000190925697 225097993 /nfs/dbraw/zinc/09/79/93/225097993.db2.gz AODKTDXYJBEKQQ-ZDUSSCGKSA-N 0 3 316.320 2.219 20 30 DEEDHN CN(C)Cc1ccc(C(N)=NOCc2nccn2C(F)F)cc1 ZINC000267526946 225362125 /nfs/dbraw/zinc/36/21/25/225362125.db2.gz IMSZMFHTPWQQIS-UHFFFAOYSA-N 0 3 323.347 2.177 20 30 DEEDHN COc1cc(OC)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000330898313 226041946 /nfs/dbraw/zinc/04/19/46/226041946.db2.gz IGAWWKSUVQTOSC-VXGBXAGGSA-N 0 3 322.405 2.500 20 30 DEEDHN N#CCCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000331146944 226064270 /nfs/dbraw/zinc/06/42/70/226064270.db2.gz MJPRRJRVNVXGEC-UHFFFAOYSA-N 0 3 306.435 2.377 20 30 DEEDHN C[C@H]1CCN(C(=O)NCCC#N)CCN1Cc1ccccc1 ZINC000332224556 226095144 /nfs/dbraw/zinc/09/51/44/226095144.db2.gz LQPFBBRBNBKDJR-HNNXBMFYSA-N 0 3 300.406 2.206 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)nc(C)n1 ZINC000337540035 226137557 /nfs/dbraw/zinc/13/75/57/226137557.db2.gz PUFFVMWWPLFZSZ-GFCCVEGCSA-N 0 3 321.340 2.176 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@H]1C ZINC001088890964 782024812 /nfs/dbraw/zinc/02/48/12/782024812.db2.gz VWZNILXPRHVEJD-CABCVRRESA-N 0 3 304.438 2.162 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2C)cc1 ZINC001088906500 782034562 /nfs/dbraw/zinc/03/45/62/782034562.db2.gz YINWDBNJJSEPOK-QAPCUYQASA-N 0 3 312.413 2.467 20 30 DEEDHN CN1CCN(CCCCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000531149572 421625089 /nfs/dbraw/zinc/62/50/89/421625089.db2.gz ZBIMZJSMNKGHFI-UHFFFAOYSA-N 0 3 307.829 2.046 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2scnc2COC)[C@H]1C ZINC001088908042 782037342 /nfs/dbraw/zinc/03/73/42/782037342.db2.gz CLMAVGCTWWLRSK-OLZOCXBDSA-N 0 3 323.462 2.448 20 30 DEEDHN CN(C)CCn1ccc(NC(=O)Nc2cc(F)cc(C#N)c2)n1 ZINC000603075578 422442263 /nfs/dbraw/zinc/44/22/63/422442263.db2.gz OQAQWCWJKJLCDI-UHFFFAOYSA-N 0 3 316.340 2.099 20 30 DEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000042185278 424810892 /nfs/dbraw/zinc/81/08/92/424810892.db2.gz OQRVCMACINADLY-INIZCTEOSA-N 0 3 306.406 2.283 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000264309151 266144435 /nfs/dbraw/zinc/14/44/35/266144435.db2.gz GLGRZDXCBAMGIY-XJKSGUPXSA-N 0 3 300.406 2.403 20 30 DEEDHN CS(=O)(=O)Cc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000195017629 424880328 /nfs/dbraw/zinc/88/03/28/424880328.db2.gz NRDXIHNYFIQNNL-UHFFFAOYSA-N 0 3 314.410 2.393 20 30 DEEDHN CC[C@@H](C)n1nc(NC(=O)NCCN2CCCCC2)cc1C ZINC000330681627 424909695 /nfs/dbraw/zinc/90/96/95/424909695.db2.gz GPNZSEWPYYOANG-CYBMUJFWSA-N 0 3 307.442 2.974 20 30 DEEDHN N#C[C@H]1CC[C@H](NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000574001497 424942040 /nfs/dbraw/zinc/94/20/40/424942040.db2.gz WMUVIBMZUCRMHP-HOCLYGCPSA-N 0 3 307.401 2.837 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000575111783 424945905 /nfs/dbraw/zinc/94/59/05/424945905.db2.gz ZTBIRFBZYRTVLK-CQSZACIVSA-N 0 3 317.437 2.722 20 30 DEEDHN N#Cc1ccc(NC2CCN(CCc3ccccc3)CC2)nc1N ZINC000594544624 425012771 /nfs/dbraw/zinc/01/27/71/425012771.db2.gz IRQQCJIAZSTCRX-UHFFFAOYSA-N 0 3 321.428 2.654 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000649361109 425000214 /nfs/dbraw/zinc/00/02/14/425000214.db2.gz UBRUGJQXWNEPFV-INIZCTEOSA-N 0 3 318.417 2.283 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC000651273109 425126796 /nfs/dbraw/zinc/12/67/96/425126796.db2.gz AVVPPSAIYLMAJO-GFCCVEGCSA-N 0 3 308.344 2.111 20 30 DEEDHN COCCN1CCN(CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000649850500 425089922 /nfs/dbraw/zinc/08/99/22/425089922.db2.gz QQTWIZWGLQVNJL-UHFFFAOYSA-N 0 3 304.409 2.220 20 30 DEEDHN C=CC[C@H]1CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000651741348 425145244 /nfs/dbraw/zinc/14/52/44/425145244.db2.gz HIBBVMLQTHGBQS-QWHCGFSZSA-N 0 3 314.476 2.361 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000652340241 425243207 /nfs/dbraw/zinc/24/32/07/425243207.db2.gz HDWDIHQEVRFVPN-JJXSEGSLSA-N 0 3 309.454 2.140 20 30 DEEDHN Clc1ccc(C#CCN2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000661145682 425335168 /nfs/dbraw/zinc/33/51/68/425335168.db2.gz VAKNLTCJLCWJSY-HNNXBMFYSA-N 0 3 300.793 2.305 20 30 DEEDHN C=CCOCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000660956637 425285433 /nfs/dbraw/zinc/28/54/33/425285433.db2.gz BTFBUNUPTJGNAV-SJORKVTESA-N 0 3 317.433 2.324 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660990831 425294056 /nfs/dbraw/zinc/29/40/56/425294056.db2.gz IEIOFHJMZUPYKV-ZBFHGGJFSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000665385354 425559740 /nfs/dbraw/zinc/55/97/40/425559740.db2.gz BEHRKJKDYJWOHJ-IKGGRYGDSA-N 0 3 323.481 2.267 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662117273 425566839 /nfs/dbraw/zinc/56/68/39/425566839.db2.gz CJSDODNEXYSLMB-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000665871116 425660970 /nfs/dbraw/zinc/66/09/70/425660970.db2.gz QHIFOSIACVTHIR-FUHWJXTLSA-N 0 3 320.433 2.131 20 30 DEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000666284072 425730397 /nfs/dbraw/zinc/73/03/97/425730397.db2.gz MELOBMCWMHIAPP-MRXNPFEDSA-N 0 3 303.406 2.158 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000528535593 268302923 /nfs/dbraw/zinc/30/29/23/268302923.db2.gz KIDOVYUDWSPLFM-ZWKOTPCHSA-N 0 3 323.396 2.182 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COC1CCOCC1 ZINC000425534587 269119651 /nfs/dbraw/zinc/11/96/51/269119651.db2.gz MFVFMCGNSHVCIQ-WMLDXEAASA-N 0 3 318.417 2.108 20 30 DEEDHN COc1cc(CN[C@@H]2COc3ccccc3[C@H]2O)ccc1C#N ZINC000377400863 274094468 /nfs/dbraw/zinc/09/44/68/274094468.db2.gz HLVWTNOJXBMFSR-CRAIPNDOSA-N 0 3 310.353 2.151 20 30 DEEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCOc3ccccc32)C(N)=O)cc1 ZINC000115599854 274926005 /nfs/dbraw/zinc/92/60/05/274926005.db2.gz WSEFICBLCXRJLA-MAUKXSAKSA-N 0 3 321.380 2.241 20 30 DEEDHN C[C@@H]1OCC[C@]1(C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000330203604 279054865 /nfs/dbraw/zinc/05/48/65/279054865.db2.gz AYIGLXVHJAFULK-XCRHUMRWSA-N 0 3 313.401 2.211 20 30 DEEDHN C[C@H](CCC#N)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000411600438 279252922 /nfs/dbraw/zinc/25/29/22/279252922.db2.gz YFYCCFAUROCBGV-ILXRZTDVSA-N 0 3 305.401 2.013 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000345104962 279308100 /nfs/dbraw/zinc/30/81/00/279308100.db2.gz JQVMQEIFMGPWPE-ZIAGYGMSSA-N 0 3 310.417 2.144 20 30 DEEDHN N#C[C@@H]1CCC[C@H](NCc2cccnc2N2CCOCC2)C1 ZINC000185774450 279483225 /nfs/dbraw/zinc/48/32/25/279483225.db2.gz AXPFLKWMHYMXKZ-ZBFHGGJFSA-N 0 3 300.406 2.090 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000285642108 279517714 /nfs/dbraw/zinc/51/77/14/279517714.db2.gz XUPGUKGBGFZNOX-KRWDZBQOSA-N 0 3 312.417 2.328 20 30 DEEDHN C[C@H]([C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1)N1CCOCC1 ZINC000271947674 279592934 /nfs/dbraw/zinc/59/29/34/279592934.db2.gz NSBXURJYZPSSOG-MELADBBJSA-N 0 3 305.397 2.457 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)N1CCO ZINC000451657021 297032622 /nfs/dbraw/zinc/03/26/22/297032622.db2.gz WYSIVDCEYGRLOR-IYBDPMFKSA-N 0 3 315.461 2.375 20 30 DEEDHN CO[C@@]1(C)C[C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)C1(C)C ZINC000451501122 294152260 /nfs/dbraw/zinc/15/22/60/294152260.db2.gz YZVWFNCMYODCGD-PBHICJAKSA-N 0 3 321.465 2.464 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)[C@H]1C ZINC001088943470 782067812 /nfs/dbraw/zinc/06/78/12/782067812.db2.gz DWDBWPHQJLCAGZ-ZBFHGGJFSA-N 0 3 304.438 2.308 20 30 DEEDHN O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)[C@@]1(F)CCNC1 ZINC000159500020 303667687 /nfs/dbraw/zinc/66/76/87/303667687.db2.gz CXOVYDKNGMRFOQ-MRVPVSSYSA-N 0 3 322.224 2.031 20 30 DEEDHN C=C[C@H](C(=O)NC[C@@H]1CCN1C1CCOCC1)c1ccccc1 ZINC001349458928 1151252006 /nfs/dbraw/zinc/25/20/06/1151252006.db2.gz GBBDUKPZYLJPSE-ROUUACIJSA-N 0 3 314.429 2.326 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@H]1C ZINC001088953422 782075395 /nfs/dbraw/zinc/07/53/95/782075395.db2.gz SAIXIPNYJWIFKA-KGLIPLIRSA-N 0 3 304.438 2.312 20 30 DEEDHN C[C@@H](CNC(=O)Nc1cccc(C#N)n1)N1CCCC[C@H]1C ZINC000574398123 326150859 /nfs/dbraw/zinc/15/08/59/326150859.db2.gz OTSVQOUAAWTORB-OLZOCXBDSA-N 0 3 301.394 2.338 20 30 DEEDHN CCC[C@]1(COC)CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000574572972 326167238 /nfs/dbraw/zinc/16/72/38/326167238.db2.gz OGILHKWOSSDPND-QGZVFWFLSA-N 0 3 313.405 2.382 20 30 DEEDHN CC(=O)c1cccc(OC[C@H](O)CNCc2cccc(C#N)c2)c1 ZINC000575039588 326211752 /nfs/dbraw/zinc/21/17/52/326211752.db2.gz RWXKBUKEPKQQDG-GOSISDBHSA-N 0 3 324.380 2.290 20 30 DEEDHN CC(C)O[C@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)C1(C)C ZINC000577280694 326355227 /nfs/dbraw/zinc/35/52/27/326355227.db2.gz GXJFVNYLERELOJ-CABCVRRESA-N 0 3 313.405 2.283 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCC(=O)OC)CC1 ZINC000530763142 331624503 /nfs/dbraw/zinc/62/45/03/331624503.db2.gz SZKLVAFDOMFVPN-HNNXBMFYSA-N 0 3 322.449 2.241 20 30 DEEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](C)C#N)N(C)C ZINC000557737848 331812859 /nfs/dbraw/zinc/81/28/59/331812859.db2.gz ZNHVUTZABGSWHQ-NOLJZWGESA-N 0 3 302.422 2.445 20 30 DEEDHN CC(C)C(=O)NCCN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000092104250 332119220 /nfs/dbraw/zinc/11/92/20/332119220.db2.gz QHDHLHUQFXJBNC-UHFFFAOYSA-N 0 3 316.449 2.240 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(-c2ccccc2)o1 ZINC000560887196 332392211 /nfs/dbraw/zinc/39/22/11/332392211.db2.gz QTLAUMRUTMDEBD-MRXNPFEDSA-N 0 3 313.401 2.243 20 30 DEEDHN C=CCCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000497150297 333090073 /nfs/dbraw/zinc/09/00/73/333090073.db2.gz UEYIEDKTVMOITG-HNNXBMFYSA-N 0 3 309.454 2.190 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccccn2)CC1 ZINC000584331802 333120552 /nfs/dbraw/zinc/12/05/52/333120552.db2.gz UUNLQMSLICVTBR-AWEZNQCLSA-N 0 3 303.406 2.006 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000497251816 333227357 /nfs/dbraw/zinc/22/73/57/333227357.db2.gz KOFZVULHAGXFQF-CXAGYDPISA-N 0 3 321.421 2.396 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H]1C ZINC001088998698 782106272 /nfs/dbraw/zinc/10/62/72/782106272.db2.gz LGVIHSWCZJGKRU-ZBFHGGJFSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734743 337171326 /nfs/dbraw/zinc/17/13/26/337171326.db2.gz WGPKYOJQCZKFDH-PXAZEXFGSA-N 0 3 316.401 2.189 20 30 DEEDHN C=CCn1c(SCCN(C)Cc2ccc(F)cc2)n[nH]c1=O ZINC000185695024 337250341 /nfs/dbraw/zinc/25/03/41/337250341.db2.gz YYFOENSDKCNRMF-UHFFFAOYSA-N 0 3 322.409 2.121 20 30 DEEDHN COc1ccc([C@@H](CN2CCCC2)Nc2ccnc(C#N)n2)cc1 ZINC000584421672 337324030 /nfs/dbraw/zinc/32/40/30/337324030.db2.gz ZIPCYZUYJVMUPM-MRXNPFEDSA-N 0 3 323.400 2.028 20 30 DEEDHN CO[C@@H]1C[C@@H](N[C@@H]2CCN(c3sccc3C#N)C2=O)C1(C)C ZINC000584508335 337352441 /nfs/dbraw/zinc/35/24/41/337352441.db2.gz UPXZYISQSRLOIF-JHJVBQTASA-N 0 3 319.430 2.128 20 30 DEEDHN CSc1ccc(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000572235723 337599642 /nfs/dbraw/zinc/59/96/42/337599642.db2.gz GVFAWTRNZONEPL-MJBXVCDLSA-N 0 3 306.431 2.430 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001376290022 1159318725 /nfs/dbraw/zinc/31/87/25/1159318725.db2.gz GSJCHQMJPNSUAP-OAHLLOKOSA-N 0 3 315.889 2.251 20 30 DEEDHN CC(C#N)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000496281007 340002162 /nfs/dbraw/zinc/00/21/62/340002162.db2.gz DZFJRZSJORSQJF-NDBYEHHHSA-N 0 3 309.410 2.391 20 30 DEEDHN CC#CCN1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000497053103 340019134 /nfs/dbraw/zinc/01/91/34/340019134.db2.gz JEKUEGUHFCOJKQ-CVEARBPZSA-N 0 3 322.449 2.404 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C)(O)CC1 ZINC000177543218 340441447 /nfs/dbraw/zinc/44/14/47/340441447.db2.gz XKGOIAVUHYBSAI-INIZCTEOSA-N 0 3 305.418 2.002 20 30 DEEDHN CC[C@@H](CC#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000545862817 341143431 /nfs/dbraw/zinc/14/34/31/341143431.db2.gz AOSPIRAQQGSRBC-HOTGVXAUSA-N 0 3 300.406 2.102 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cccs2)cc1 ZINC000551947257 341355829 /nfs/dbraw/zinc/35/58/29/341355829.db2.gz LRPHWNJIJJPGSO-AWEZNQCLSA-N 0 3 302.399 2.344 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248463177 341378490 /nfs/dbraw/zinc/37/84/90/341378490.db2.gz YRQMPTYFBBJHKU-INMHGKMJSA-N 0 3 314.433 2.498 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H]1CO)C(C)C ZINC000249115290 341394153 /nfs/dbraw/zinc/39/41/53/341394153.db2.gz SFKJVUQQYQPCJX-BRWVUGGUSA-N 0 3 323.481 2.097 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000565286462 341522660 /nfs/dbraw/zinc/52/26/60/341522660.db2.gz QEVIHRORBQZPJG-WDSZJTOSSA-N 0 3 318.461 2.251 20 30 DEEDHN N#Cc1csc(CNC[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000177697369 341924282 /nfs/dbraw/zinc/92/42/82/341924282.db2.gz KGXZIYBNDGKWTH-NSHDSACASA-N 0 3 324.352 2.427 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C ZINC001357249035 1152276111 /nfs/dbraw/zinc/27/61/11/1152276111.db2.gz BFRJOIQMBPBDAN-OLZOCXBDSA-N 0 3 306.410 2.444 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1ccc(F)cc1Cl ZINC001568771965 1152321092 /nfs/dbraw/zinc/32/10/92/1152321092.db2.gz BWIIPZNUFIITMC-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cnccn2)CCCC[C@H]1C ZINC001378419888 1152322745 /nfs/dbraw/zinc/32/27/45/1152322745.db2.gz MDTWSCBYNQOCPS-MLGOLLRUSA-N 0 3 322.840 2.497 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC001330244089 1149077351 /nfs/dbraw/zinc/07/73/51/1149077351.db2.gz RLPOADVHJSWLKP-INIZCTEOSA-N 0 3 317.433 2.090 20 30 DEEDHN C[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)O1 ZINC000295819007 533961964 /nfs/dbraw/zinc/96/19/64/533961964.db2.gz XSOFSUJKRMKMRK-GFOFROLCSA-N 0 3 313.401 2.209 20 30 DEEDHN Cc1cc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c(C)o1 ZINC000330488065 534008130 /nfs/dbraw/zinc/00/81/30/534008130.db2.gz ISSDSEFBKNENJC-UHFFFAOYSA-N 0 3 321.421 2.144 20 30 DEEDHN C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)s2)CCN1C ZINC000422212031 534096222 /nfs/dbraw/zinc/09/62/22/534096222.db2.gz DISCAKJPQNEZKK-RYUDHWBXSA-N 0 3 306.435 2.244 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2cncs2)C1 ZINC001378850737 1152467228 /nfs/dbraw/zinc/46/72/28/1152467228.db2.gz DMTVJSCJDMUPJF-HAQNSBGRSA-N 0 3 313.854 2.313 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001378866369 1152472496 /nfs/dbraw/zinc/47/24/96/1152472496.db2.gz JHZGFUQOFXNZQT-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(CC)CNCc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000449737719 534416589 /nfs/dbraw/zinc/41/65/89/534416589.db2.gz ZUKNKZUUVNREQE-UHFFFAOYSA-N 0 3 306.406 2.266 20 30 DEEDHN CC(C)OC[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337261935 519773349 /nfs/dbraw/zinc/77/33/49/519773349.db2.gz QPJGJMRLFQZUQC-WMLDXEAASA-N 0 3 315.417 2.457 20 30 DEEDHN CC(C)OC[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337261936 519773419 /nfs/dbraw/zinc/77/34/19/519773419.db2.gz QPJGJMRLFQZUQC-YOEHRIQHSA-N 0 3 315.417 2.457 20 30 DEEDHN CCOCCO[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000157707171 520030376 /nfs/dbraw/zinc/03/03/76/520030376.db2.gz DPHIPJSUARVXKP-KRWDZBQOSA-N 0 3 304.390 2.064 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccccc1OC ZINC000451681363 534572583 /nfs/dbraw/zinc/57/25/83/534572583.db2.gz OJWUYBFAEPAFAD-IMJJTQAJSA-N 0 3 318.417 2.196 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)Cc1ccccc1C ZINC000451671365 534572621 /nfs/dbraw/zinc/57/26/21/534572621.db2.gz FRAUJJWUJCOUPP-NXHRZFHOSA-N 0 3 316.445 2.365 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450640495 534580669 /nfs/dbraw/zinc/58/06/69/534580669.db2.gz YDHHWPSOGNGBBU-DDBAPUKQSA-N 0 3 314.429 2.214 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000451595554 534610609 /nfs/dbraw/zinc/61/06/09/534610609.db2.gz DHUZLFHXQBZWJO-OAGGEKHMSA-N 0 3 304.390 2.345 20 30 DEEDHN N#CCCOCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000339064257 534650408 /nfs/dbraw/zinc/65/04/08/534650408.db2.gz BEJVQXUSOZZZFC-UHFFFAOYSA-N 0 3 314.385 2.477 20 30 DEEDHN N#Cc1ccnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000295712465 534823230 /nfs/dbraw/zinc/82/32/30/534823230.db2.gz RYVBGQLUTZYGEY-LJQANCHMSA-N 0 3 319.412 2.451 20 30 DEEDHN C=CCN(CCc1ccco1)C[C@@H](O)COCC(F)(F)F ZINC000292903756 526326078 /nfs/dbraw/zinc/32/60/78/526326078.db2.gz KGEDUQMZYFTRBD-GFCCVEGCSA-N 0 3 307.312 2.250 20 30 DEEDHN CNC(=O)c1cccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000330568954 526409000 /nfs/dbraw/zinc/40/90/00/526409000.db2.gz XDYOLGCMZOHDJP-CYBMUJFWSA-N 0 3 317.433 2.423 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000334004762 526439601 /nfs/dbraw/zinc/43/96/01/526439601.db2.gz KWTUTUQDSDXMKK-HOTGVXAUSA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)COCCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000417894461 526640898 /nfs/dbraw/zinc/64/08/98/526640898.db2.gz TVGXZIFYJYOYTK-MRXNPFEDSA-N 0 3 305.422 2.141 20 30 DEEDHN C=C(C)CS(=O)(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000189810044 526686066 /nfs/dbraw/zinc/68/60/66/526686066.db2.gz URQAOOPCVZGCJW-KBPBESRZSA-N 0 3 300.468 2.135 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000342023052 526695460 /nfs/dbraw/zinc/69/54/60/526695460.db2.gz ASSFQFMEUBXQAU-HZPDHXFCSA-N 0 3 307.482 2.216 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000342023051 526708016 /nfs/dbraw/zinc/70/80/16/526708016.db2.gz ASSFQFMEUBXQAU-HOTGVXAUSA-N 0 3 307.482 2.216 20 30 DEEDHN C=C(C)Cn1c(CC2CC2)nnc1N1CCN(CC2CC2)CC1 ZINC000338805450 526728227 /nfs/dbraw/zinc/72/82/27/526728227.db2.gz QAANWJWDEOTFEI-UHFFFAOYSA-N 0 3 315.465 2.339 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000295941683 526740842 /nfs/dbraw/zinc/74/08/42/526740842.db2.gz LCMDNGNZHFSURB-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCN(CC)C2CC2)cc1 ZINC000294658841 526741094 /nfs/dbraw/zinc/74/10/94/526741094.db2.gz RVFVPAWCLUDQDJ-UHFFFAOYSA-N 0 3 300.402 2.303 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000334086294 526797660 /nfs/dbraw/zinc/79/76/60/526797660.db2.gz CKKCYLCQKUCSQN-XHSDSOJGSA-N 0 3 323.481 2.387 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000297522891 526806565 /nfs/dbraw/zinc/80/65/65/526806565.db2.gz QCFJDTQAEUNTCM-UHFFFAOYSA-N 0 3 317.408 2.455 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)c1nc(C)cs1 ZINC000296766882 526819705 /nfs/dbraw/zinc/81/97/05/526819705.db2.gz GDFZZVJOOPYPIZ-CYBMUJFWSA-N 0 3 308.451 2.157 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000246991632 526927017 /nfs/dbraw/zinc/92/70/17/526927017.db2.gz PCRVGIDABOKKGG-GUDVDZBRSA-N 0 3 308.425 2.034 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)C1(N)Cc2ccccc2C1 ZINC000370774576 526935801 /nfs/dbraw/zinc/93/58/01/526935801.db2.gz SBRQZEIXCIOHHM-UHFFFAOYSA-N 0 3 322.408 2.364 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)CC1CCN(C)CC1 ZINC000341546263 526953396 /nfs/dbraw/zinc/95/33/96/526953396.db2.gz MGGINHOEBCBTJJ-UHFFFAOYSA-N 0 3 303.406 2.060 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000375399973 527026006 /nfs/dbraw/zinc/02/60/06/527026006.db2.gz BGURVXAVSMSSHA-HNNXBMFYSA-N 0 3 313.445 2.070 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000281474253 527036046 /nfs/dbraw/zinc/03/60/46/527036046.db2.gz OPUBSCRRVVTYCP-OAHLLOKOSA-N 0 3 317.433 2.200 20 30 DEEDHN C=CCCC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000245385050 527072306 /nfs/dbraw/zinc/07/23/06/527072306.db2.gz AELKNRXYOVBBCN-GOSISDBHSA-N 0 3 315.461 2.448 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000294585272 527081121 /nfs/dbraw/zinc/08/11/21/527081121.db2.gz YEYPODXJRWCWGL-PBHICJAKSA-N 0 3 302.418 2.006 20 30 DEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000341871946 527082420 /nfs/dbraw/zinc/08/24/20/527082420.db2.gz DPBVNBABVBICSP-GXTWGEPZSA-N 0 3 306.406 2.489 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000369482226 527133131 /nfs/dbraw/zinc/13/31/31/527133131.db2.gz ACUOCQVBSUTGRN-CQSZACIVSA-N 0 3 306.410 2.448 20 30 DEEDHN CC(=O)c1ccc(C#N)c(NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000302095408 527226167 /nfs/dbraw/zinc/22/61/67/527226167.db2.gz IVCVNHAFUGWWHY-KRWDZBQOSA-N 0 3 315.417 2.266 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@H](N)c1ccccc1CC ZINC000417969479 527356064 /nfs/dbraw/zinc/35/60/64/527356064.db2.gz ZODPZSJVTRTHBV-INIZCTEOSA-N 0 3 305.422 2.141 20 30 DEEDHN C#Cc1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1 ZINC000368015950 527438201 /nfs/dbraw/zinc/43/82/01/527438201.db2.gz JOPNAQUUSDFMPJ-UHFFFAOYSA-N 0 3 320.440 2.105 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@H](C)N(C[C@H](O)CCC=C)C[C@H]1C ZINC000441907529 527458543 /nfs/dbraw/zinc/45/85/43/527458543.db2.gz WKRROVYKPASSTP-XMTFNYHQSA-N 0 3 310.482 2.035 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442889192 527464678 /nfs/dbraw/zinc/46/46/78/527464678.db2.gz JKGBZRLAJGPMKX-NSHDSACASA-N 0 3 318.389 2.187 20 30 DEEDHN C=CCN(CC=C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341521521 527620201 /nfs/dbraw/zinc/62/02/01/527620201.db2.gz BRLQRYUYZCKRJO-UHFFFAOYSA-N 0 3 309.454 2.259 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294998258 527633466 /nfs/dbraw/zinc/63/34/66/527633466.db2.gz UYCJHFBPJMJGRH-WBVHZDCISA-N 0 3 322.474 2.455 20 30 DEEDHN CCCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC(C)C ZINC000340944957 527887418 /nfs/dbraw/zinc/88/74/18/527887418.db2.gz WZKCXGUBLYEARO-QGZVFWFLSA-N 0 3 322.497 2.047 20 30 DEEDHN CC1CCN(CCNC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000338005407 528245445 /nfs/dbraw/zinc/24/54/45/528245445.db2.gz LXFQBXQBQYGJKM-UHFFFAOYSA-N 0 3 317.408 2.208 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374170137 528358131 /nfs/dbraw/zinc/35/81/31/528358131.db2.gz IDLQBVXIJIGTGP-MWDXBVQZSA-N 0 3 321.465 2.010 20 30 DEEDHN CCOC1CC(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000292393038 528498975 /nfs/dbraw/zinc/49/89/75/528498975.db2.gz ZXERUUROOJJMKV-HWOWSKLDSA-N 0 3 301.390 2.221 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)CC#N)cc2)CC1 ZINC000194626993 529045666 /nfs/dbraw/zinc/04/56/66/529045666.db2.gz RAIJNURPJKRNOZ-OAHLLOKOSA-N 0 3 314.433 2.249 20 30 DEEDHN COC1CCC(N(C)CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000360306002 536732405 /nfs/dbraw/zinc/73/24/05/536732405.db2.gz YVUURWHHDAMNAV-UHFFFAOYSA-N 0 3 315.417 2.064 20 30 DEEDHN COCC(=O)N1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001089096539 782168604 /nfs/dbraw/zinc/16/86/04/782168604.db2.gz QMPLIIXSUPKIAE-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cccnc1N(C)C)C(C)C ZINC001379013278 1152531315 /nfs/dbraw/zinc/53/13/15/1152531315.db2.gz VUDIVLQKHYSLJS-AWEZNQCLSA-N 0 3 324.856 2.244 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001368691707 1148579477 /nfs/dbraw/zinc/57/94/77/1148579477.db2.gz VMIHRGNMHZPCNL-ZDUSSCGKSA-N 0 3 314.857 2.118 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ncc(C)o1 ZINC000835056456 649872977 /nfs/dbraw/zinc/87/29/77/649872977.db2.gz JJXLMAHDBWEFGK-CYBMUJFWSA-N 0 3 305.378 2.321 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CCOC)CCC1)C2 ZINC001327542637 1148583546 /nfs/dbraw/zinc/58/35/46/1148583546.db2.gz XZNKJIKOZHMKFD-SFHVURJKSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000835062859 649874570 /nfs/dbraw/zinc/87/45/70/649874570.db2.gz SLEQYXOQELGAHT-QWRGUYRKSA-N 0 3 304.733 2.026 20 30 DEEDHN Cc1cccc2c1O[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C2 ZINC000835071317 649875004 /nfs/dbraw/zinc/87/50/04/649875004.db2.gz OKHLPBKVXHDKFK-HUUCEWRRSA-N 0 3 312.369 2.066 20 30 DEEDHN CCNC(=O)C(C)(C)NCc1ccc(N(C)CCC#N)cc1 ZINC000835075592 649875886 /nfs/dbraw/zinc/87/58/86/649875886.db2.gz WRHPPBHAILONPP-UHFFFAOYSA-N 0 3 302.422 2.041 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001327594666 1148595036 /nfs/dbraw/zinc/59/50/36/1148595036.db2.gz GXSNEFNENADYBR-VQIMIIECSA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)COC2CCCC2)C1 ZINC001426218104 1174653524 /nfs/dbraw/zinc/65/35/24/1174653524.db2.gz GRZDVWRNRNYJRP-UHFFFAOYSA-N 0 3 300.830 2.277 20 30 DEEDHN CC(C)OCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001379100944 1152567948 /nfs/dbraw/zinc/56/79/48/1152567948.db2.gz NRIOKMODQDIFHX-CYBMUJFWSA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1coc(CC2CC2)n1 ZINC001368742539 1148631119 /nfs/dbraw/zinc/63/11/19/1148631119.db2.gz ZSARLYTUTJHLSW-NSHDSACASA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1c(C)noc1Cl ZINC001368742981 1148632095 /nfs/dbraw/zinc/63/20/95/1148632095.db2.gz KUEMBKKXWIEICE-VIFPVBQESA-N 0 3 320.220 2.416 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001368764130 1148644144 /nfs/dbraw/zinc/64/41/44/1148644144.db2.gz UHMTZTCQDTXEDK-LBTNJELSSA-N 0 3 311.429 2.414 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ncc(C)cc2OC)C1 ZINC001368811355 1148681800 /nfs/dbraw/zinc/68/18/00/1148681800.db2.gz WOTBBIYWTKLXNB-UHFFFAOYSA-N 0 3 323.824 2.249 20 30 DEEDHN C=CCOCC(=O)N1C[C@@]2(C)CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001330524464 1149176963 /nfs/dbraw/zinc/17/69/63/1149176963.db2.gz CDIJVMAWEMODCK-OIISXLGYSA-N 0 3 312.429 2.108 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC(C)(C)COC)C[C@]2(C)C1 ZINC001330528105 1149178473 /nfs/dbraw/zinc/17/84/73/1149178473.db2.gz FXXGDMDOEKJTNE-KDURUIRLSA-N 0 3 320.477 2.243 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)[C@H](C)C(C)C ZINC001379556537 1152642120 /nfs/dbraw/zinc/64/21/20/1152642120.db2.gz SEWOYBFGQXIJBT-UONOGXRCSA-N 0 3 317.433 2.453 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001369785924 1149191542 /nfs/dbraw/zinc/19/15/42/1149191542.db2.gz FBZKAUSEUQLMLN-OAHLLOKOSA-N 0 3 315.889 2.248 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001027649300 634381459 /nfs/dbraw/zinc/38/14/59/634381459.db2.gz HPFIJYGOCWFSFQ-ZDUSSCGKSA-N 0 3 324.856 2.363 20 30 DEEDHN Cc1nc(CNC[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)sc1C ZINC001380395314 1152805674 /nfs/dbraw/zinc/80/56/74/1152805674.db2.gz CIKYAOQTVLXZHS-ZBEGNZNMSA-N 0 3 320.462 2.248 20 30 DEEDHN Cc1nc(CNC[C@H]2CCN(C(=O)C#CC(C)C)C2)cs1 ZINC001480642964 1153459049 /nfs/dbraw/zinc/45/90/49/1153459049.db2.gz WXQNGHNOCAPMER-CQSZACIVSA-N 0 3 305.447 2.049 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccnc2C2CC2)C1 ZINC001023464101 625282911 /nfs/dbraw/zinc/28/29/11/625282911.db2.gz CGKZNOJJCGRJLN-OAHLLOKOSA-N 0 3 311.429 2.424 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1nccc(C)n1 ZINC001025225705 625283285 /nfs/dbraw/zinc/28/32/85/625283285.db2.gz GBNMWEOPUYPNBB-HZPDHXFCSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccncc1C ZINC001025231325 625290842 /nfs/dbraw/zinc/29/08/42/625290842.db2.gz HHHKWNUNHFFYOZ-MSOLQXFVSA-N 0 3 311.429 2.482 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2onc3c2CCCC3)C1 ZINC001023487287 625295516 /nfs/dbraw/zinc/29/55/16/625295516.db2.gz DJOLWYJTGMYAQE-ZDUSSCGKSA-N 0 3 303.406 2.181 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(C)nn(C)c2Cl)C1 ZINC001023516673 625306283 /nfs/dbraw/zinc/30/62/83/625306283.db2.gz VFOLOKKOCXFSQM-LBPRGKRZSA-N 0 3 310.829 2.010 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1csnn1 ZINC001025255440 625310478 /nfs/dbraw/zinc/31/04/78/625310478.db2.gz PQOMOFUBPMALFJ-KGLIPLIRSA-N 0 3 306.435 2.183 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH]nc1C ZINC001025260317 625312966 /nfs/dbraw/zinc/31/29/66/625312966.db2.gz WFPINLOOZSYNCC-IRXDYDNUSA-N 0 3 314.433 2.201 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CCOCC1 ZINC001025276241 625320856 /nfs/dbraw/zinc/32/08/56/625320856.db2.gz HNVMFTXOWRQMAE-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c(C)n[nH]c1C ZINC001025276212 625321267 /nfs/dbraw/zinc/32/12/67/625321267.db2.gz HHWOIQHIWVDICL-HZPDHXFCSA-N 0 3 314.433 2.119 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001023548185 625322095 /nfs/dbraw/zinc/32/20/95/625322095.db2.gz DALOATYVNDIFNH-HUUCEWRRSA-N 0 3 312.413 2.258 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001023561502 625325810 /nfs/dbraw/zinc/32/58/10/625325810.db2.gz BXPQICVAYUKYGV-NSHDSACASA-N 0 3 310.319 2.179 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001025285375 625326694 /nfs/dbraw/zinc/32/66/94/625326694.db2.gz UIAZTBYPJOHHQG-HOTGVXAUSA-N 0 3 300.406 2.122 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001023634303 625365972 /nfs/dbraw/zinc/36/59/72/625365972.db2.gz HALGCYNTPYLTIR-GEALJGNFSA-N 0 3 322.452 2.424 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2scnc2C)C1 ZINC001025346023 625369953 /nfs/dbraw/zinc/36/99/53/625369953.db2.gz CJCOSQXZCYSAQV-GXTWGEPZSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccnc(F)c2)C1 ZINC001025363993 625381836 /nfs/dbraw/zinc/38/18/36/625381836.db2.gz DVGGZBPZWFMEOO-UKRRQHHQSA-N 0 3 303.381 2.074 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2nc(C3CC3)oc2C)C1 ZINC001023676477 625384119 /nfs/dbraw/zinc/38/41/19/625384119.db2.gz JPZRAMCTDKWRPJ-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3cccnc3s2)C1 ZINC001023685312 625387207 /nfs/dbraw/zinc/38/72/07/625387207.db2.gz GMLFVOXFXFLGQZ-CYBMUJFWSA-N 0 3 313.426 2.371 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1 ZINC000972638162 625387944 /nfs/dbraw/zinc/38/79/44/625387944.db2.gz RLEDYVCUFHDJTG-CQSZACIVSA-N 0 3 303.406 2.201 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C[C@H](F)CC)C2)nc1 ZINC001023708344 625396128 /nfs/dbraw/zinc/39/61/28/625396128.db2.gz BLJXUBUKNCHBON-JKSUJKDBSA-N 0 3 317.408 2.253 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccncc2C(F)(F)F)C1 ZINC000972657682 625411988 /nfs/dbraw/zinc/41/19/88/625411988.db2.gz STTOQEQEALJXJR-NSHDSACASA-N 0 3 313.323 2.433 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2sc(C)nc2C)C1 ZINC001023739435 625415738 /nfs/dbraw/zinc/41/57/38/625415738.db2.gz QRECXHLPMBVVIZ-CQSZACIVSA-N 0 3 305.447 2.225 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001025419626 625418807 /nfs/dbraw/zinc/41/88/07/625418807.db2.gz NLUBLFWJJCZYCW-GJZGRUSLSA-N 0 3 316.449 2.072 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cncc(C(F)(F)F)c2)C1 ZINC000972665361 625419652 /nfs/dbraw/zinc/41/96/52/625419652.db2.gz RDRMAODMRGMIMM-CYBMUJFWSA-N 0 3 313.323 2.433 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(COC)cc2)C1 ZINC001023743270 625417412 /nfs/dbraw/zinc/41/74/12/625417412.db2.gz YGTYBIRNGFHNTE-QGZVFWFLSA-N 0 3 314.429 2.298 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(Cl)cnn2CC)C1 ZINC001025427748 625425999 /nfs/dbraw/zinc/42/59/99/625425999.db2.gz HELMHAUCERYWHO-CHWSQXEVSA-N 0 3 322.840 2.020 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(Cl)cnn2CC)C1 ZINC001025427751 625426372 /nfs/dbraw/zinc/42/63/72/625426372.db2.gz HELMHAUCERYWHO-STQMWFEESA-N 0 3 322.840 2.020 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001025435824 625432681 /nfs/dbraw/zinc/43/26/81/625432681.db2.gz HTXLLYLCEABEKR-GXTWGEPZSA-N 0 3 321.371 2.483 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001023779504 625436225 /nfs/dbraw/zinc/43/62/25/625436225.db2.gz IMXORCXSNWNXIU-MRXNPFEDSA-N 0 3 316.449 2.238 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2conc2C(C)C)C1 ZINC001025443512 625439242 /nfs/dbraw/zinc/43/92/42/625439242.db2.gz SERJYOBUTAAXRR-KGLIPLIRSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC001008345594 625445701 /nfs/dbraw/zinc/44/57/01/625445701.db2.gz XKGBJTZUJOOIKX-OAHLLOKOSA-N 0 3 306.356 2.111 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001025455557 625447820 /nfs/dbraw/zinc/44/78/20/625447820.db2.gz GSGBAKDLMKRJGG-KGLIPLIRSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccncc2CC)C1 ZINC001025462208 625455920 /nfs/dbraw/zinc/45/59/20/625455920.db2.gz BGNQKOQMSSJOQH-WBVHZDCISA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ncccc3c2)C[C@@H]1C ZINC000947685854 625452908 /nfs/dbraw/zinc/45/29/08/625452908.db2.gz QBKNNPJRCOEQAY-WMLDXEAASA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001025467794 625461635 /nfs/dbraw/zinc/46/16/35/625461635.db2.gz DAWKHYRAQORJMN-GJZGRUSLSA-N 0 3 324.428 2.335 20 30 DEEDHN Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001023896135 625470298 /nfs/dbraw/zinc/47/02/98/625470298.db2.gz XZJVLGYIWDWCRB-FZMZJTMJSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3n[nH]cc32)C1 ZINC001025504037 625488822 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624798524 /nfs/dbraw/zinc/79/85/24/624798524.db2.gz GCZHNDLURZQRGS-DFBGVHRSSA-N 0 3 317.437 2.157 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4occc4s3)[C@@H]2C1 ZINC000978749235 634410381 /nfs/dbraw/zinc/41/03/81/634410381.db2.gz IRIVXXIFXHRRSG-CNDDSTCGSA-N 0 3 300.383 2.035 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3cnc(C)cn3)C2)C1 ZINC001022674448 624813048 /nfs/dbraw/zinc/81/30/48/624813048.db2.gz ALGUAEAMPDIMJN-SOUVJXGZSA-N 0 3 314.433 2.439 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cncc(OC(C)C)c2)C1 ZINC000972074885 624820852 /nfs/dbraw/zinc/82/08/52/624820852.db2.gz FZAOYIRYZKJGOU-OAHLLOKOSA-N 0 3 303.406 2.201 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cncc(OC(C)C)c2)C1 ZINC000972074884 624821024 /nfs/dbraw/zinc/82/10/24/624821024.db2.gz FZAOYIRYZKJGOU-HNNXBMFYSA-N 0 3 303.406 2.201 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972095735 624834780 /nfs/dbraw/zinc/83/47/80/624834780.db2.gz RWFLFZVXHVWGOL-HZPDHXFCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CC[C@H]1CCN1[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000934470618 624885927 /nfs/dbraw/zinc/88/59/27/624885927.db2.gz OTKOPJFDHRYAHK-AEFFLSMTSA-N 0 3 313.445 2.374 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1 ZINC000972198516 624887049 /nfs/dbraw/zinc/88/70/49/624887049.db2.gz HXLWAQDGZMGCLR-CQSZACIVSA-N 0 3 312.373 2.069 20 30 DEEDHN C#CCSCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000152924980 624922666 /nfs/dbraw/zinc/92/26/66/624922666.db2.gz BQGHJRPEEABGNC-UHFFFAOYSA-N 0 3 310.375 2.068 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc([C@H](C)CC)no3)[C@@H]2C1 ZINC000978808741 634426325 /nfs/dbraw/zinc/42/63/25/634426325.db2.gz ULCOSTGUYRJXCK-TUVASFSCSA-N 0 3 315.417 2.119 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001024765628 625046369 /nfs/dbraw/zinc/04/63/69/625046369.db2.gz HDMNMEGNJZXNRU-OAHLLOKOSA-N 0 3 324.428 2.181 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000972421018 625066888 /nfs/dbraw/zinc/06/68/88/625066888.db2.gz INRGNPUFFXAPAZ-OAHLLOKOSA-N 0 3 310.401 2.205 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001024821868 625067040 /nfs/dbraw/zinc/06/70/40/625067040.db2.gz UVXFDOKOTJLMJJ-INIZCTEOSA-N 0 3 316.449 2.308 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(CC)n(C)n1 ZINC001024824982 625067490 /nfs/dbraw/zinc/06/74/90/625067490.db2.gz BLAKWMRFFBSWBO-HNNXBMFYSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC001024828969 625071298 /nfs/dbraw/zinc/07/12/98/625071298.db2.gz REMSWZZGCSYSMV-JKSUJKDBSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CC[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccncc1 ZINC000893040465 625072014 /nfs/dbraw/zinc/07/20/14/625072014.db2.gz GUKOVUJWBNWRTP-HOTGVXAUSA-N 0 3 302.422 2.434 20 30 DEEDHN C[C@H]1C[C@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001026007869 625111344 /nfs/dbraw/zinc/11/13/44/625111344.db2.gz KPSIYCRQDVSIAI-YVMVKQTESA-N 0 3 309.413 2.151 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001023000655 625129297 /nfs/dbraw/zinc/12/92/97/625129297.db2.gz WEHFLJIJPMSTJC-AOOOYVTPSA-N 0 3 300.189 2.338 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3oc(=O)[nH]c32)C[C@@H]1C ZINC000947539557 625152533 /nfs/dbraw/zinc/15/25/33/625152533.db2.gz CLOMSBDYIBUMEL-NWDGAFQWSA-N 0 3 315.373 2.302 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cn(C)nc1C ZINC001025040670 625157872 /nfs/dbraw/zinc/15/78/72/625157872.db2.gz IVRLYEYHWRYZBF-INIZCTEOSA-N 0 3 318.465 2.411 20 30 DEEDHN CC(=O)N1C[C@@H]2CC[C@H](NCc3cc(F)ccc3C#N)[C@H]2C1 ZINC001026158351 625160552 /nfs/dbraw/zinc/16/05/52/625160552.db2.gz UKCDFPBWCMELBD-JQFCIGGWSA-N 0 3 301.365 2.044 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNCc1cncn1C ZINC001025069065 625192468 /nfs/dbraw/zinc/19/24/68/625192468.db2.gz AJHYYOIUBROVPW-MAUKXSAKSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001023365258 625239499 /nfs/dbraw/zinc/23/94/99/625239499.db2.gz ARJGRIQWPUYRPD-OAHLLOKOSA-N 0 3 316.449 2.022 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2ncnc3sccc32)C1 ZINC001023374816 625245712 /nfs/dbraw/zinc/24/57/12/625245712.db2.gz AZABZANMZFRCAX-LBPRGKRZSA-N 0 3 316.430 2.319 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccoc2C(F)(F)F)C1 ZINC001023393643 625251195 /nfs/dbraw/zinc/25/11/95/625251195.db2.gz GXWAWRSKKSEKHV-LLVKDONJSA-N 0 3 314.307 2.373 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccnn2CC(C)C)C1 ZINC001023398805 625251808 /nfs/dbraw/zinc/25/18/08/625251808.db2.gz BTUGKNZCXVFCSA-MRXNPFEDSA-N 0 3 316.449 2.004 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001023406655 625255936 /nfs/dbraw/zinc/25/59/36/625255936.db2.gz PVCGCAHULKYAMD-ZDUSSCGKSA-N 0 3 321.371 2.484 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001023411343 625258246 /nfs/dbraw/zinc/25/82/46/625258246.db2.gz CLZPHLSCNOPTMQ-AWEZNQCLSA-N 0 3 300.402 2.233 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnn3ccc(C)cc23)C1 ZINC001023431003 625265603 /nfs/dbraw/zinc/26/56/03/625265603.db2.gz XIXIJWDVMMDEFZ-MRXNPFEDSA-N 0 3 324.428 2.108 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001007510945 625279522 /nfs/dbraw/zinc/27/95/22/625279522.db2.gz NWMFHGKSZDSSFJ-NSHDSACASA-N 0 3 310.829 2.396 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001027695110 634450047 /nfs/dbraw/zinc/45/00/47/634450047.db2.gz DZDHXXNFLHGKNQ-RDJZCZTQSA-N 0 3 314.429 2.355 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001024485901 625810409 /nfs/dbraw/zinc/81/04/09/625810409.db2.gz WPMGYNBGLKNILU-KRWDZBQOSA-N 0 3 317.433 2.388 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001024523332 625838191 /nfs/dbraw/zinc/83/81/91/625838191.db2.gz PIPBCYGBBVNPRR-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN CC(C)(F)C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001019928919 625855906 /nfs/dbraw/zinc/85/59/06/625855906.db2.gz PCTCKJIBXOELHR-JOCQHMNTSA-N 0 3 307.344 2.182 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC001024553666 625872983 /nfs/dbraw/zinc/87/29/83/625872983.db2.gz DCNPZQQUSLEYGS-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C[C@@H]1C ZINC000947304610 625882088 /nfs/dbraw/zinc/88/20/88/625882088.db2.gz IGDZOEPLFBWLMW-GJZGRUSLSA-N 0 3 316.449 2.150 20 30 DEEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000892493630 625891035 /nfs/dbraw/zinc/89/10/35/625891035.db2.gz OCCKXAKTSQMPNY-BIMULSAOSA-N 0 3 306.749 2.412 20 30 DEEDHN N#CC(C(=O)COC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498285 625902515 /nfs/dbraw/zinc/90/25/15/625902515.db2.gz HQNQYKYHTHIAIW-SNVBAGLBSA-N 0 3 310.712 2.305 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001024646485 625951285 /nfs/dbraw/zinc/95/12/85/625951285.db2.gz ZRUAICZJKAONAP-MRXNPFEDSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001024646484 625951386 /nfs/dbraw/zinc/95/13/86/625951386.db2.gz ZRUAICZJKAONAP-INIZCTEOSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001024653836 625954234 /nfs/dbraw/zinc/95/42/34/625954234.db2.gz IWOLWRFGXHKBKD-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001024672084 625959898 /nfs/dbraw/zinc/95/98/98/625959898.db2.gz RBPWBWZNANRWPM-KRWDZBQOSA-N 0 3 312.413 2.229 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001024669252 625960481 /nfs/dbraw/zinc/96/04/81/625960481.db2.gz DULMWENRUPSZGO-MRXNPFEDSA-N 0 3 312.413 2.229 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c[nH]nc2CCC)C1 ZINC000999028843 634466845 /nfs/dbraw/zinc/46/68/45/634466845.db2.gz QZDNKUKEAQFQSJ-UHFFFAOYSA-N 0 3 310.829 2.307 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(CC)s3)[C@@H]2C1 ZINC000979043302 634483738 /nfs/dbraw/zinc/48/37/38/634483738.db2.gz IPOHJBBNZNHYNR-ZSOGYDGISA-N 0 3 302.443 2.160 20 30 DEEDHN CCCC(=O)N1CCO[C@@H]([C@H](C)NCc2ccc(C#N)s2)C1 ZINC000979184792 634526547 /nfs/dbraw/zinc/52/65/47/634526547.db2.gz PIOYKXRTTSZABC-SWLSCSKDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC000999386338 634580922 /nfs/dbraw/zinc/58/09/22/634580922.db2.gz WHVNANCVWRYHRP-WXRRBKDZSA-N 0 3 322.840 2.161 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2conc2C2CC2)C1 ZINC000999387072 634581668 /nfs/dbraw/zinc/58/16/68/634581668.db2.gz REGSOMGQNFXMOM-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cnccn3)C[C@H]2C1 ZINC000979483970 634656985 /nfs/dbraw/zinc/65/69/85/634656985.db2.gz ZIMGLOIGXMPCMV-IHRRRGAJSA-N 0 3 320.824 2.059 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccnc2N(C)C)C1 ZINC000999831779 634690869 /nfs/dbraw/zinc/69/08/69/634690869.db2.gz LPVVWBGREPOPFI-UHFFFAOYSA-N 0 3 322.840 2.093 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999875614 634697673 /nfs/dbraw/zinc/69/76/73/634697673.db2.gz GVDZKTCLVZXQKG-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3n[nH]cc3C)C[C@@H]2C1 ZINC000979714762 634744774 /nfs/dbraw/zinc/74/47/74/634744774.db2.gz DZQQAZZAFRDYER-MJBXVCDLSA-N 0 3 322.840 2.301 20 30 DEEDHN C=CCONC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000836223283 650066496 /nfs/dbraw/zinc/06/64/96/650066496.db2.gz RHJZGJSFRILKQN-UHFFFAOYSA-N 0 3 318.421 2.376 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000836421500 650089909 /nfs/dbraw/zinc/08/99/09/650089909.db2.gz MTENPPBIIYBRRZ-MRXNPFEDSA-N 0 3 321.465 2.123 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000836491018 650098427 /nfs/dbraw/zinc/09/84/27/650098427.db2.gz FWGRRFGRCBEJGR-KRWDZBQOSA-N 0 3 317.408 2.457 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001024700668 632932591 /nfs/dbraw/zinc/93/25/91/632932591.db2.gz DEJWNRSUYYXZHQ-BZSNNMDCSA-N 0 3 318.461 2.352 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001024706367 632935805 /nfs/dbraw/zinc/93/58/05/632935805.db2.gz XZLPRVNASAXLEG-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974581967 633163021 /nfs/dbraw/zinc/16/30/21/633163021.db2.gz IRAZWHCJFXHRBE-XJKSGUPXSA-N 0 3 316.449 2.232 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001008657589 633204220 /nfs/dbraw/zinc/20/42/20/633204220.db2.gz HHVPCRJZJFLVFV-ZDUSSCGKSA-N 0 3 324.346 2.250 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H](NCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996252950 633218787 /nfs/dbraw/zinc/21/87/87/633218787.db2.gz CIOBTJUWMQZODD-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H](NCc3ccnn3C)C(C)(C)C2)C1 ZINC000996253485 633224280 /nfs/dbraw/zinc/22/42/80/633224280.db2.gz GCWMEAKOCPHFJH-OAHLLOKOSA-N 0 3 316.449 2.103 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1CN(C[C@H](C)OC)CC1(C)C ZINC000974678522 633229672 /nfs/dbraw/zinc/22/96/72/633229672.db2.gz BXVGPWOTBGLBIF-HOCLYGCPSA-N 0 3 319.449 2.149 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccnc2C(F)F)C(C)(C)C1 ZINC000974799071 633311210 /nfs/dbraw/zinc/31/12/10/633311210.db2.gz RDZKABNFCQUCGG-ZDUSSCGKSA-N 0 3 321.371 2.483 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNCc3cc(C)n(C)n3)C2)C1 ZINC001027051494 633378333 /nfs/dbraw/zinc/37/83/33/633378333.db2.gz ZFNVNPPIRQXMFT-OAHLLOKOSA-N 0 3 316.449 2.023 20 30 DEEDHN Cc1cccc(O[C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000124479052 633386731 /nfs/dbraw/zinc/38/67/31/633386731.db2.gz HRAMMXWQCTVZSA-DZGCQCFKSA-N 0 3 300.358 2.094 20 30 DEEDHN Cc1cccc(C)c1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000124483292 633387850 /nfs/dbraw/zinc/38/78/50/633387850.db2.gz DQHGVDWISRSPOS-AWEZNQCLSA-N 0 3 300.358 2.014 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cccc(F)c2F)C(C)(C)C1 ZINC000975086988 633414701 /nfs/dbraw/zinc/41/47/01/633414701.db2.gz VYDSPMQPTYVOFN-OAHLLOKOSA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001008898221 633452929 /nfs/dbraw/zinc/45/29/29/633452929.db2.gz HFXIJPUMFQKZMN-HNNXBMFYSA-N 0 3 304.438 2.290 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC000996867940 633472383 /nfs/dbraw/zinc/47/23/83/633472383.db2.gz KZSPJNIAFJLULQ-UHFFFAOYSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3nccnc3C)CC2)C1 ZINC000996988799 633551980 /nfs/dbraw/zinc/55/19/80/633551980.db2.gz GWIBIMSDAITXRF-UHFFFAOYSA-N 0 3 314.433 2.222 20 30 DEEDHN CSCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027284589 633558005 /nfs/dbraw/zinc/55/80/05/633558005.db2.gz LGFSIZANTRVFOU-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CC1 ZINC000735991995 633561487 /nfs/dbraw/zinc/56/14/87/633561487.db2.gz MEWHFPWVYHUBCB-UHFFFAOYSA-N 0 3 312.417 2.461 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnc3ccccc3n2)CC1 ZINC000997137197 633620725 /nfs/dbraw/zinc/62/07/25/633620725.db2.gz HCHMWAKCMGTNQA-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001027327313 633656711 /nfs/dbraw/zinc/65/67/11/633656711.db2.gz MTSUSIKFKHRJBP-INIZCTEOSA-N 0 3 324.384 2.283 20 30 DEEDHN Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c(C)n1 ZINC001027337112 633664877 /nfs/dbraw/zinc/66/48/77/633664877.db2.gz YKIZYMIHUDWRHG-DYVFJYSZSA-N 0 3 314.433 2.281 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nc3c(s2)CCC3)CC1 ZINC000997225052 633680454 /nfs/dbraw/zinc/68/04/54/633680454.db2.gz LAGZDKKMDPOITL-GFCCVEGCSA-N 0 3 317.458 2.095 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000997254396 633690701 /nfs/dbraw/zinc/69/07/01/633690701.db2.gz BPDYVMUQLCBTMV-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2sc(C)nc2C)CC1 ZINC000997420753 633760653 /nfs/dbraw/zinc/76/06/53/633760653.db2.gz MYHNHWNDDMIUQU-LLVKDONJSA-N 0 3 305.447 2.223 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(F)cccc2OC)C1 ZINC001027422323 633761000 /nfs/dbraw/zinc/76/10/00/633761000.db2.gz DUQRXSTYYLMVGE-CYBMUJFWSA-N 0 3 304.365 2.004 20 30 DEEDHN N#Cc1ccccc1CNCC1CCN(C(=O)C(F)F)CC1 ZINC000997456698 633767998 /nfs/dbraw/zinc/76/79/98/633767998.db2.gz VVWJKTCLDVKWRN-UHFFFAOYSA-N 0 3 307.344 2.152 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccnn2C2CCCC2)C1 ZINC001027430150 633774042 /nfs/dbraw/zinc/77/40/42/633774042.db2.gz PAMBICZPQOEICD-MRXNPFEDSA-N 0 3 314.433 2.168 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1 ZINC001027434496 633782617 /nfs/dbraw/zinc/78/26/17/633782617.db2.gz RMBCVWNTPZRVLY-INIZCTEOSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccsc2COC)C1 ZINC001027463418 633832099 /nfs/dbraw/zinc/83/20/99/633832099.db2.gz YIMNUQLDFIRQQY-ZDUSSCGKSA-N 0 3 306.431 2.064 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1N(C)C ZINC000888363417 633839144 /nfs/dbraw/zinc/83/91/44/633839144.db2.gz LWGLMEAAGNFBQF-KBPBESRZSA-N 0 3 322.409 2.207 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3cccnc23)C[C@@H]1C ZINC000947928485 633853104 /nfs/dbraw/zinc/85/31/04/633853104.db2.gz BFZXKKXPWDHWPL-UONOGXRCSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccnc2C(F)F)C1 ZINC001027488322 633878019 /nfs/dbraw/zinc/87/80/19/633878019.db2.gz REZCVLRHWQYREZ-LBPRGKRZSA-N 0 3 307.344 2.189 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)C(C)(C)C1 ZINC000977345282 633935157 /nfs/dbraw/zinc/93/51/57/633935157.db2.gz IMVKWKVSLUDWOS-QGZVFWFLSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3nccnc32)C(C)(C)C1 ZINC000977392594 633961120 /nfs/dbraw/zinc/96/11/20/633961120.db2.gz WGFWUWGGHPFIMW-INIZCTEOSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2coc(C3CC3)n2)CC1 ZINC000997787444 633977134 /nfs/dbraw/zinc/97/71/34/633977134.db2.gz QXNUDTJZICCSMV-ZDUSSCGKSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(OC)o2)CC1 ZINC000997810803 633995012 /nfs/dbraw/zinc/99/50/12/633995012.db2.gz JRGMWTJOQSOFEL-ZDUSSCGKSA-N 0 3 304.390 2.142 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@H](C)C1 ZINC000946418235 634047223 /nfs/dbraw/zinc/04/72/23/634047223.db2.gz AIMGDMFTISWZFA-QAPCUYQASA-N 0 3 313.445 2.288 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncoc2-c2ccon2)C[C@@H]1C ZINC000947940484 634055879 /nfs/dbraw/zinc/05/58/79/634055879.db2.gz QQNSOJWYNFHZDU-NWDGAFQWSA-N 0 3 316.361 2.098 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)nn2C)CC1 ZINC000997945309 634071791 /nfs/dbraw/zinc/07/17/91/634071791.db2.gz VODAGKMQEUCVHB-INIZCTEOSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001027546637 634081938 /nfs/dbraw/zinc/08/19/38/634081938.db2.gz NEBXWZCCQIJQEW-ZWKOTPCHSA-N 0 3 313.445 2.377 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2COc3ccccc32)C(C)(C)C1 ZINC000977658273 634085814 /nfs/dbraw/zinc/08/58/14/634085814.db2.gz NFRCCCPWBLVRTN-DOTOQJQBSA-N 0 3 312.413 2.013 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)ncn2)CC1 ZINC000997978393 634088503 /nfs/dbraw/zinc/08/85/03/634088503.db2.gz ULQHHSRZUZCHGY-MRXNPFEDSA-N 0 3 314.433 2.125 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C(C)(C)C1 ZINC000977669983 634094135 /nfs/dbraw/zinc/09/41/35/634094135.db2.gz JLTWSLZKAFWLJT-LSDHHAIUSA-N 0 3 306.450 2.206 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998041877 634121057 /nfs/dbraw/zinc/12/10/57/634121057.db2.gz GKXXPEAIQKXDPN-SFHVURJKSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2coc(OCC)n2)CC1 ZINC000998050810 634124568 /nfs/dbraw/zinc/12/45/68/634124568.db2.gz ODURZEWDFSMKIR-CQSZACIVSA-N 0 3 319.405 2.023 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnc(Cl)n2C)CC1 ZINC000998068868 634131347 /nfs/dbraw/zinc/13/13/47/634131347.db2.gz CTAJIESCOVNGKC-ZDUSSCGKSA-N 0 3 322.840 2.023 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000998130699 634149994 /nfs/dbraw/zinc/14/99/94/634149994.db2.gz OHFCYICVTKVJIR-OAHLLOKOSA-N 0 3 316.449 2.483 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cnco2)CC[C@H]1C(F)(F)F ZINC000998277080 634196846 /nfs/dbraw/zinc/19/68/46/634196846.db2.gz NJIZPHLUGSIYJL-GHMZBOCLSA-N 0 3 317.311 2.233 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3csc(C)c3C)[C@@H]2C1 ZINC000978207457 634243053 /nfs/dbraw/zinc/24/30/53/634243053.db2.gz SQPKZOBQKIQZPE-QKDCVEJESA-N 0 3 302.443 2.296 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2scnc2C2CC2)C1 ZINC001027608127 634280074 /nfs/dbraw/zinc/28/00/74/634280074.db2.gz MHRFPGVOEIVNMZ-CYBMUJFWSA-N 0 3 303.431 2.190 20 30 DEEDHN CSCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000998469297 634284019 /nfs/dbraw/zinc/28/40/19/634284019.db2.gz JNHHDWDEYOFRRJ-LLVKDONJSA-N 0 3 309.460 2.063 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2C1 ZINC000978433751 634311310 /nfs/dbraw/zinc/31/13/10/634311310.db2.gz KFZDNWOKZFVSLZ-QKDCVEJESA-N 0 3 320.795 2.410 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)C3Cc4ccccc4C3)CC2)CC1 ZINC001000270338 634831336 /nfs/dbraw/zinc/83/13/36/634831336.db2.gz JANNLBUVUUPHGV-UHFFFAOYSA-N 0 3 322.452 2.395 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(OC(C)C)n2)C1 ZINC001027633985 634353120 /nfs/dbraw/zinc/35/31/20/634353120.db2.gz SKESLYNYCWONNQ-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC001027639328 634362341 /nfs/dbraw/zinc/36/23/41/634362341.db2.gz UNHFKJWZMLZFFI-LBPRGKRZSA-N 0 3 301.415 2.399 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ncccn3)C[C@@H]2C1 ZINC000980210580 634896774 /nfs/dbraw/zinc/89/67/74/634896774.db2.gz PTVNSFLDNKUOBT-MJBXVCDLSA-N 0 3 320.824 2.059 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000980331060 634956864 /nfs/dbraw/zinc/95/68/64/634956864.db2.gz ONQLPWAPPPJBOT-GFCCVEGCSA-N 0 3 318.808 2.320 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccccc2Cl)C1 ZINC000980378511 634977140 /nfs/dbraw/zinc/97/71/40/634977140.db2.gz YBZYUYAXXXTEMJ-CYBMUJFWSA-N 0 3 308.809 2.438 20 30 DEEDHN C=CCCN1CCC[C@H]1CNC(=O)c1nc2c(s1)CCC2 ZINC001028029112 635300881 /nfs/dbraw/zinc/30/08/81/635300881.db2.gz OQDKBMIYMMDVEZ-LBPRGKRZSA-N 0 3 305.447 2.402 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCCN([C@@H](C)COC)CC1 ZINC000981242878 635400158 /nfs/dbraw/zinc/40/01/58/635400158.db2.gz VMUVUGPTFHDDDD-LBPRGKRZSA-N 0 3 302.846 2.334 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC001001231174 635432142 /nfs/dbraw/zinc/43/21/42/635432142.db2.gz YJMIOOFWBQBJEA-UHFFFAOYSA-N 0 3 323.396 2.488 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2[nH]cnc2C(F)(F)F)CC1 ZINC000981342824 635445850 /nfs/dbraw/zinc/44/58/50/635445850.db2.gz MKRPTFVPDWXINQ-UHFFFAOYSA-N 0 3 316.327 2.153 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC001001338164 635468029 /nfs/dbraw/zinc/46/80/29/635468029.db2.gz JOWYSWIQJPWFIV-IRXDYDNUSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnn3c2C[C@H](C)CC3)CC1 ZINC001001416561 635492037 /nfs/dbraw/zinc/49/20/37/635492037.db2.gz RGXSFUFEQPPLAX-CQSZACIVSA-N 0 3 314.433 2.013 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccn(C3CCCC3)n2)CC1 ZINC001001453701 635509118 /nfs/dbraw/zinc/50/91/18/635509118.db2.gz HMUVYXVSKXEXLP-UHFFFAOYSA-N 0 3 314.433 2.073 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccnc(-c3ccco3)c2)CC1 ZINC001001513921 635519440 /nfs/dbraw/zinc/51/94/40/635519440.db2.gz NNHUHUMULVDGMV-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2n[nH]c(C3CC3)c2Cl)CC1 ZINC001001587042 635529648 /nfs/dbraw/zinc/52/96/48/635529648.db2.gz XJQDNKJZHWNIGJ-UHFFFAOYSA-N 0 3 320.824 2.016 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccnc2C(F)F)CC1 ZINC001001612590 635531883 /nfs/dbraw/zinc/53/18/83/635531883.db2.gz FTNWRURPTSXMHR-UHFFFAOYSA-N 0 3 321.371 2.484 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC001001626475 635533818 /nfs/dbraw/zinc/53/38/18/635533818.db2.gz AGTFUZDILUNFCN-HKUYNNGSSA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC001001766533 635550965 /nfs/dbraw/zinc/55/09/65/635550965.db2.gz HJGWSUTULWKWLI-GOSISDBHSA-N 0 3 314.404 2.317 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cccc3ncccc23)CC1 ZINC000981607780 635552103 /nfs/dbraw/zinc/55/21/03/635552103.db2.gz IRPXNVZAAHIXBZ-UHFFFAOYSA-N 0 3 321.424 2.335 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)=C1CCC1)CCO2 ZINC000949092378 635595782 /nfs/dbraw/zinc/59/57/82/635595782.db2.gz WYMLTAUHDAWZQK-UHFFFAOYSA-N 0 3 304.434 2.366 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc(C(C)C)nn2C)CC1 ZINC001002000552 635599697 /nfs/dbraw/zinc/59/96/97/635599697.db2.gz MKUALMNHMMNERO-UHFFFAOYSA-N 0 3 316.449 2.009 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnn([C@H](C)CC)c2C)CC1 ZINC001002028541 635606712 /nfs/dbraw/zinc/60/67/12/635606712.db2.gz CAIFNQJUAWCWCF-CQSZACIVSA-N 0 3 316.449 2.238 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cc(C(C)C)n(C)n3)C2)C1 ZINC000981764676 635634337 /nfs/dbraw/zinc/63/43/37/635634337.db2.gz YDDYASJSRKWZGK-UHFFFAOYSA-N 0 3 316.449 2.268 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3c(F)cncc3F)C2)C1 ZINC000981793990 635653065 /nfs/dbraw/zinc/65/30/65/635653065.db2.gz JNMFSTWXXWAIBR-UHFFFAOYSA-N 0 3 321.371 2.474 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cncc4[nH]ccc43)C2)C1 ZINC000981871895 635702302 /nfs/dbraw/zinc/70/23/02/635702302.db2.gz HHVAFNFLZORYJW-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000981869522 635703085 /nfs/dbraw/zinc/70/30/85/635703085.db2.gz YNOMYAJYOOVGJD-UHFFFAOYSA-N 0 3 314.433 2.013 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@H]3CC(C)(C)CO3)C2)C1 ZINC000981889672 635712052 /nfs/dbraw/zinc/71/20/52/635712052.db2.gz JZAWUZVUMRYUNT-HNNXBMFYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnnc2ccccc21 ZINC001028165325 635761174 /nfs/dbraw/zinc/76/11/74/635761174.db2.gz UOJFNELVZVQSTM-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3conc3CC)C2)C1 ZINC000981993934 635798431 /nfs/dbraw/zinc/79/84/31/635798431.db2.gz MQSZCVODWHLAKS-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3nn(C)c(C)c3Cl)C2)C1 ZINC000982043902 635842380 /nfs/dbraw/zinc/84/23/80/635842380.db2.gz ATTMAHAFEZQUIO-UHFFFAOYSA-N 0 3 322.840 2.106 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@H](C)Cc2cccs2)CC1 ZINC000982056404 635848613 /nfs/dbraw/zinc/84/86/13/635848613.db2.gz JKKOWAZWCFCQSX-OAHLLOKOSA-N 0 3 304.459 2.484 20 30 DEEDHN C#CCN1CCCC2(CN(C(=O)c3cc(C)cc4c[nH]nc43)C2)C1 ZINC000982070141 635859627 /nfs/dbraw/zinc/85/96/27/635859627.db2.gz MHHSEMPIALJCKV-UHFFFAOYSA-N 0 3 322.412 2.043 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000982100755 635867600 /nfs/dbraw/zinc/86/76/00/635867600.db2.gz ZXZYIGLMKUEDOX-CEXWTWQISA-N 0 3 308.425 2.130 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ncoc3C3CC3)C2)C1 ZINC000982102854 635868409 /nfs/dbraw/zinc/86/84/09/635868409.db2.gz AGCKZVPOOABCAN-UHFFFAOYSA-N 0 3 301.390 2.276 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCO[C@H](CC)C3)C2)C1 ZINC000982106020 635871584 /nfs/dbraw/zinc/87/15/84/635871584.db2.gz KUKXXPBAKUDGJD-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3coc(CC)n3)C[C@]2(C)C1 ZINC000982264066 635931518 /nfs/dbraw/zinc/93/15/18/635931518.db2.gz YFCBKGBFIUHMSF-HDICACEKSA-N 0 3 315.417 2.044 20 30 DEEDHN CCN(C(=O)Nc1nc(Cl)c(C#N)s1)[C@H]1CCN(C)C1 ZINC000888425795 635937293 /nfs/dbraw/zinc/93/72/93/635937293.db2.gz AYKAECLFWHQEEE-QMMMGPOBSA-N 0 3 313.814 2.226 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C[C@H]1C ZINC000947360746 635949128 /nfs/dbraw/zinc/94/91/28/635949128.db2.gz IJUNFOGLFJWOQJ-HUUCEWRRSA-N 0 3 316.449 2.244 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3(C4CC4)CC3)C[C@]2(C)C1 ZINC000982302867 635958105 /nfs/dbraw/zinc/95/81/05/635958105.db2.gz RKIVXGSZAJRNEP-HDICACEKSA-N 0 3 300.446 2.370 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001028253242 635962741 /nfs/dbraw/zinc/96/27/41/635962741.db2.gz SAVFLNJFUDWTNP-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001028255300 635966633 /nfs/dbraw/zinc/96/66/33/635966633.db2.gz KPFUGKGCCBLENV-ZDUSSCGKSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cc(Cl)n(C)n3)C[C@]2(C)C1 ZINC000982354831 635990724 /nfs/dbraw/zinc/99/07/24/635990724.db2.gz ILTUTYGLSGNJHP-IYBDPMFKSA-N 0 3 322.840 2.044 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001028353838 636147098 /nfs/dbraw/zinc/14/70/98/636147098.db2.gz FNLXLNOPTALRNK-CYBMUJFWSA-N 0 3 315.417 2.046 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)c3ccoc3)C2)cc1 ZINC001028407153 636177145 /nfs/dbraw/zinc/17/71/45/636177145.db2.gz MDCNXVSIDHWPKA-MRXNPFEDSA-N 0 3 309.369 2.403 20 30 DEEDHN Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccc(C#N)cc3)C2)on1 ZINC001028404705 636181889 /nfs/dbraw/zinc/18/18/89/636181889.db2.gz UZZYWBPNCLXTDX-MRXNPFEDSA-N 0 3 324.384 2.107 20 30 DEEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC#N ZINC000426440754 636326312 /nfs/dbraw/zinc/32/63/12/636326312.db2.gz AEZWWLWSBBDDQY-INIZCTEOSA-N 0 3 302.422 2.356 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C[C@@H]1C ZINC000947783155 636465264 /nfs/dbraw/zinc/46/52/64/636465264.db2.gz MPDZPBWSIAAYHI-WFASDCNBSA-N 0 3 300.406 2.123 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2nccc3ccsc32)C1 ZINC001028607662 636500397 /nfs/dbraw/zinc/50/03/97/636500397.db2.gz XZKFSSRGDHNJNY-ZDUSSCGKSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C2CCc3ccccc3CC2)C1 ZINC001028641027 636538875 /nfs/dbraw/zinc/53/88/75/636538875.db2.gz ABPMHXHSXHCGAV-INIZCTEOSA-N 0 3 310.441 2.253 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001028677801 636615150 /nfs/dbraw/zinc/61/51/50/636615150.db2.gz ZTPQXYWDCXOPOS-HNNXBMFYSA-N 0 3 309.413 2.346 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2nc(Cl)sc2Cl)C1 ZINC001028734114 636681599 /nfs/dbraw/zinc/68/15/99/636681599.db2.gz QJZKBLSKXWBAMV-QMMMGPOBSA-N 0 3 318.229 2.135 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2nsc3ccc(C)cc32)C1 ZINC001028737213 636684971 /nfs/dbraw/zinc/68/49/71/636684971.db2.gz QNXABHYMFVNOKH-ZDUSSCGKSA-N 0 3 313.426 2.290 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnn(C3CCC3)c2)CC1 ZINC001005385795 636728601 /nfs/dbraw/zinc/72/86/01/636728601.db2.gz XRUXSEIYXKEWHC-UHFFFAOYSA-N 0 3 302.422 2.331 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc3cccn3cn2)CC1 ZINC001005568808 636781229 /nfs/dbraw/zinc/78/12/29/636781229.db2.gz HRJUYFYHDDWZTJ-UHFFFAOYSA-N 0 3 312.417 2.447 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001028902420 636832288 /nfs/dbraw/zinc/83/22/88/636832288.db2.gz UXSDDYRLMNVCFG-HNNXBMFYSA-N 0 3 323.396 2.417 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cnn(C(C)C)c2C2CC2)C1 ZINC001028916396 636848950 /nfs/dbraw/zinc/84/89/50/636848950.db2.gz LYIJNOMOPZVYER-AWEZNQCLSA-N 0 3 314.433 2.026 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccsc2C(F)(F)F)C1 ZINC001028951554 636887729 /nfs/dbraw/zinc/88/77/29/636887729.db2.gz FDRZDUFYKGIUIX-JTQLQIEISA-N 0 3 316.348 2.452 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001028959529 636896106 /nfs/dbraw/zinc/89/61/06/636896106.db2.gz WUBKUOBGALZVEX-LBPRGKRZSA-N 0 3 308.784 2.472 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001028979238 636921973 /nfs/dbraw/zinc/92/19/73/636921973.db2.gz RTXSZCCKZVMFAL-OAHLLOKOSA-N 0 3 309.413 2.470 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2sc(Cl)nc2Cl)C1 ZINC001028986356 636931434 /nfs/dbraw/zinc/93/14/34/636931434.db2.gz LAKRGPNTOXVYBJ-MRVPVSSYSA-N 0 3 318.229 2.135 20 30 DEEDHN Cc1ncoc1C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC000983426233 636939124 /nfs/dbraw/zinc/93/91/24/636939124.db2.gz BGPPFWCBTXZMSC-SAZUREKKSA-N 0 3 324.384 2.153 20 30 DEEDHN Cc1csc(CN[C@H](C)C2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001029068295 637031771 /nfs/dbraw/zinc/03/17/71/637031771.db2.gz DKKQQUDBSXLABG-DGCLKSJQSA-N 0 3 320.462 2.328 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC([C@@H](C)NCc2ccccc2C#N)CC1 ZINC001029070033 637043993 /nfs/dbraw/zinc/04/39/93/637043993.db2.gz XDARHGAGZMUWOQ-HUUCEWRRSA-N 0 3 324.428 2.435 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000923316625 637107273 /nfs/dbraw/zinc/10/72/73/637107273.db2.gz LLEOBENUCHMDHQ-LSDHHAIUSA-N 0 3 308.385 2.348 20 30 DEEDHN C=C1CCC(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000923321283 637114616 /nfs/dbraw/zinc/11/46/16/637114616.db2.gz FAMSXALAMRZQDZ-QGZVFWFLSA-N 0 3 321.465 2.285 20 30 DEEDHN C=CCONC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000838710696 637636476 /nfs/dbraw/zinc/63/64/76/637636476.db2.gz BPRVVDYVILFPOY-INIZCTEOSA-N 0 3 303.406 2.410 20 30 DEEDHN C#CCCCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000743077295 638115832 /nfs/dbraw/zinc/11/58/32/638115832.db2.gz CEQKNYSEWQXTSA-UHFFFAOYSA-N 0 3 314.433 2.363 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000895723395 638166817 /nfs/dbraw/zinc/16/68/17/638166817.db2.gz LLGLOALNHHUAOV-CZUORRHYSA-N 0 3 303.406 2.352 20 30 DEEDHN C#CCN1CCC(Nc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000895808961 638200755 /nfs/dbraw/zinc/20/07/55/638200755.db2.gz OJFLYMNIOILZCL-UHFFFAOYSA-N 0 3 322.387 2.485 20 30 DEEDHN COC(=O)[C@H](CNCc1cccc(C#N)n1)C1CCCCC1 ZINC000895919072 638266154 /nfs/dbraw/zinc/26/61/54/638266154.db2.gz LKCLXZLWXRSJRS-MRXNPFEDSA-N 0 3 301.390 2.412 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3[nH]cnc3c2F)CC1 ZINC000896208310 638416509 /nfs/dbraw/zinc/41/65/09/638416509.db2.gz CLAHAMVCFQCURA-UHFFFAOYSA-N 0 3 302.353 2.082 20 30 DEEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccc(=O)[nH]c3)C2)nc1 ZINC000896650446 638624227 /nfs/dbraw/zinc/62/42/27/638624227.db2.gz HVAJKMMJPDURCY-OAHLLOKOSA-N 0 3 309.373 2.130 20 30 DEEDHN CO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000752323828 639173071 /nfs/dbraw/zinc/17/30/71/639173071.db2.gz ZYYRGKVSVTYILL-NEPJUHHUSA-N 0 3 315.398 2.193 20 30 DEEDHN CS/C=C\C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000751459825 639321044 /nfs/dbraw/zinc/32/10/44/639321044.db2.gz ABPOWLGASQRULP-FLIBITNWSA-N 0 3 303.431 2.325 20 30 DEEDHN CN(Cc1ccccn1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985388242 639336145 /nfs/dbraw/zinc/33/61/45/639336145.db2.gz JUJVRVNFOKJGOP-UHFFFAOYSA-N 0 3 323.400 2.018 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029679326 639415211 /nfs/dbraw/zinc/41/52/11/639415211.db2.gz ZOYABEPCMOPITF-CHWSQXEVSA-N 0 3 316.430 2.060 20 30 DEEDHN C#CCNC(=O)CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000755982489 639611364 /nfs/dbraw/zinc/61/13/64/639611364.db2.gz HPXRCSHAKVKKED-ZWKOTPCHSA-N 0 3 314.429 2.104 20 30 DEEDHN C#C[C@@H](NCCC(=O)NCc1ccccc1Cl)[C@H]1CCCO1 ZINC000839563070 639764629 /nfs/dbraw/zinc/76/46/29/639764629.db2.gz 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/nfs/dbraw/zinc/37/40/67/640374067.db2.gz HGZLLACXEJUZFY-MNOVXSKESA-N 0 3 316.386 2.001 20 30 DEEDHN Cc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)c(C)n1 ZINC000988824871 640669671 /nfs/dbraw/zinc/66/96/71/640669671.db2.gz JDQMXKVUULDLKY-RDTXWAMCSA-N 0 3 311.429 2.191 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2)CN1C(=O)C#CC1CC1 ZINC000988812908 640669687 /nfs/dbraw/zinc/66/96/87/640669687.db2.gz PAFCQYULZRSLDI-IUODEOHRSA-N 0 3 318.367 2.457 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2coc3c2cccc3OC)C1 ZINC000988850595 640678382 /nfs/dbraw/zinc/67/83/82/640678382.db2.gz DIOXBKATBVJUSY-STQMWFEESA-N 0 3 312.369 2.267 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC000988928267 640689767 /nfs/dbraw/zinc/68/97/67/640689767.db2.gz NFIJEQBZOCOYQB-NXEZZACHSA-N 0 3 314.216 2.158 20 30 DEEDHN COc1cccc(CN2CCC(Nc3cc(C#N)ncn3)CC2)c1 ZINC000764783868 640693721 /nfs/dbraw/zinc/69/37/21/640693721.db2.gz MGXSAYADXDHNTO-UHFFFAOYSA-N 0 3 323.400 2.433 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C)cc2Cl)C1 ZINC000989053511 640712555 /nfs/dbraw/zinc/71/25/55/640712555.db2.gz BUTKJLDSQDGTIC-ZFWWWQNUSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000989133352 640730966 /nfs/dbraw/zinc/73/09/66/640730966.db2.gz VKKOOPLKCSXSOI-NVXWUHKLSA-N 0 3 307.397 2.303 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(C(F)F)c2)C1 ZINC000989168812 640741589 /nfs/dbraw/zinc/74/15/89/640741589.db2.gz CERHYTJAVDQGJI-IUODEOHRSA-N 0 3 306.356 2.379 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC000989170541 640742654 /nfs/dbraw/zinc/74/26/54/640742654.db2.gz PPBZMWQIUCTNHN-ZFWWWQNUSA-N 0 3 312.413 2.182 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2nsc3ccc(C)cc32)C1 ZINC000989297524 640781257 /nfs/dbraw/zinc/78/12/57/640781257.db2.gz COOKNHHAHJZKDO-OLZOCXBDSA-N 0 3 313.426 2.431 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2csc(-c3ccco3)n2)C1 ZINC000989363266 640817612 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DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C)ncc2Cl)[C@H]1C ZINC000993942392 647770353 /nfs/dbraw/zinc/77/03/53/647770353.db2.gz QSNKDSAMHCFMSJ-RISCZKNCSA-N 0 3 320.824 2.044 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H]1C ZINC000993946064 647771021 /nfs/dbraw/zinc/77/10/21/647771021.db2.gz FBKXHPQDEIWGTF-GXTWGEPZSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H]1C ZINC000993983539 647773752 /nfs/dbraw/zinc/77/37/52/647773752.db2.gz AFMISKWPTQKDQV-YOEHRIQHSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2c(C)noc2Cl)[C@H]1C ZINC000993993995 647775114 /nfs/dbraw/zinc/77/51/14/647775114.db2.gz OSGMHJXBZFMCBH-OCCSQVGLSA-N 0 3 323.824 2.171 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@H]1C ZINC000994206081 647805271 /nfs/dbraw/zinc/80/52/71/647805271.db2.gz QDRXDAGIMDRWDG-NVXWUHKLSA-N 0 3 316.449 2.378 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CCSCC2)c1 ZINC000733054040 647814220 /nfs/dbraw/zinc/81/42/20/647814220.db2.gz 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CC#CCN1CC[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C[C@@H]1C ZINC000948070159 648329163 /nfs/dbraw/zinc/32/91/63/648329163.db2.gz MWDPIXOJKUKEAF-DZGCQCFKSA-N 0 3 315.417 2.010 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CC2CCOCC2)C(C)(C)C1 ZINC000940626872 648909164 /nfs/dbraw/zinc/90/91/64/648909164.db2.gz MGDAWJZNBSUZPF-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2CC(OCC)C2)C(C)(C)C1 ZINC000940713111 648929747 /nfs/dbraw/zinc/92/97/47/648929747.db2.gz UARSFARHRBLQCG-UYSNPLJNSA-N 0 3 306.450 2.042 20 30 DEEDHN N#Cc1ccc(F)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000826808856 648929900 /nfs/dbraw/zinc/92/99/00/648929900.db2.gz FHGQYLWCAVWGQZ-CQSZACIVSA-N 0 3 301.365 2.398 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C(C)(C)C1 ZINC000940792366 648947408 /nfs/dbraw/zinc/94/74/08/648947408.db2.gz XKPYYXATNQJRHW-AWEZNQCLSA-N 0 3 319.453 2.049 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2Cl)C(C)(C)C1 ZINC000940842702 648955060 /nfs/dbraw/zinc/95/50/60/648955060.db2.gz 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CC#CCN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000942123700 649162414 /nfs/dbraw/zinc/16/24/14/649162414.db2.gz VFVUGHLKUOKVIF-MLGOLLRUSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)c2cccnc2)[C@H](C)C1 ZINC000942204829 649183890 /nfs/dbraw/zinc/18/38/90/649183890.db2.gz OIKORMMZAOOJPC-WBVHZDCISA-N 0 3 313.445 2.209 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@H](C)C1 ZINC000942204826 649183912 /nfs/dbraw/zinc/18/39/12/649183912.db2.gz OIKORMMZAOOJPC-NVXWUHKLSA-N 0 3 313.445 2.209 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2COC)[C@H](C)C1 ZINC000942220924 649187443 /nfs/dbraw/zinc/18/74/43/649187443.db2.gz YQGVJEMMJXSYNS-QAPCUYQASA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3cccnc32)[C@H](C)C1 ZINC000942314949 649202531 /nfs/dbraw/zinc/20/25/31/649202531.db2.gz RYROWDSPCVGWFY-PBHICJAKSA-N 0 3 307.397 2.308 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000942367553 649211424 /nfs/dbraw/zinc/21/14/24/649211424.db2.gz 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DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000944315814 649509852 /nfs/dbraw/zinc/50/98/52/649509852.db2.gz BRIHXGXLWVWXGL-MLGOLLRUSA-N 0 3 322.811 2.481 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C[C@H]1C ZINC000947913235 649512658 /nfs/dbraw/zinc/51/26/58/649512658.db2.gz XYNLNTRFRQKPMW-TZMCWYRMSA-N 0 3 302.422 2.057 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C[C@H]1C ZINC000947913235 649512660 /nfs/dbraw/zinc/51/26/60/649512660.db2.gz XYNLNTRFRQKPMW-TZMCWYRMSA-N 0 3 302.422 2.057 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)n(C)nc2Cl)[C@H](C)C1 ZINC000944489585 649527120 /nfs/dbraw/zinc/52/71/20/649527120.db2.gz AYOIMFSUWAGBLI-ZYHUDNBSSA-N 0 3 310.829 2.008 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2OCC)[C@H](C)C1 ZINC000944554857 649533786 /nfs/dbraw/zinc/53/37/86/649533786.db2.gz VEFJMYWCNKJNDK-HIFRSBDPSA-N 0 3 303.406 2.107 20 30 DEEDHN C[C@@H](C#N)C(=O)N1C[C@H](NCc2ccnc(Cl)c2)C(C)(C)C1 ZINC000995562573 649544843 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C#CCO[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883490 651292043 /nfs/dbraw/zinc/29/20/43/651292043.db2.gz TYMDFXRBTPTSJR-MISXGVKJSA-N 0 3 309.293 2.114 20 30 DEEDHN C=C(C)CONC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000846537649 651336250 /nfs/dbraw/zinc/33/62/50/651336250.db2.gz IQDDNEOAYCNLLX-UHFFFAOYSA-N 0 3 318.417 2.128 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847378786 651392815 /nfs/dbraw/zinc/39/28/15/651392815.db2.gz PJSUSFLYZWTTQI-MRXNPFEDSA-N 0 3 321.465 2.075 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)N1CCc2ccccc21 ZINC000847623572 651406077 /nfs/dbraw/zinc/40/60/77/651406077.db2.gz BIKBRWWTEPURQI-DZGCQCFKSA-N 0 3 313.401 2.061 20 30 DEEDHN COc1ccc2c(c1)[C@@H](C(=O)C(C#N)C(=O)NC(C)C)CCC2 ZINC000847626938 651406382 /nfs/dbraw/zinc/40/63/82/651406382.db2.gz VCQGPPQTZXABLG-GOEBONIOSA-N 0 3 314.385 2.349 20 30 DEEDHN COc1ccc2c(c1)[C@H](C(=O)C(C#N)C(=O)NC(C)C)CCC2 ZINC000847626937 651406403 /nfs/dbraw/zinc/40/64/03/651406403.db2.gz 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C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c(C)coc1C)C2 ZINC001054126197 693855683 /nfs/dbraw/zinc/85/56/83/693855683.db2.gz CEHUUSLYQIQWTP-GOSISDBHSA-N 0 3 300.402 2.458 20 30 DEEDHN CC[C@@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130508 693857115 /nfs/dbraw/zinc/85/71/15/693857115.db2.gz RHNQWLDMXRQPLX-SJLPKXTDSA-N 0 3 306.425 2.462 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC1(F)F)C2 ZINC001054151655 693864030 /nfs/dbraw/zinc/86/40/30/693864030.db2.gz OTLVTVDOPVAYOA-GDBMZVCRSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(C)C)on1)C2 ZINC001054172625 693870439 /nfs/dbraw/zinc/87/04/39/693870439.db2.gz TWLJYUXWNAMOKU-GOSISDBHSA-N 0 3 315.417 2.359 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C(F)(F)F)C2 ZINC001054174821 693871310 /nfs/dbraw/zinc/87/13/10/693871310.db2.gz ATYJPUAZMWUFTK-GXTWGEPZSA-N 0 3 302.340 2.133 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CF)CCC1)C2 ZINC001054199995 693881012 /nfs/dbraw/zinc/88/10/12/693881012.db2.gz 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0 3 323.400 2.112 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001028007070 688532362 /nfs/dbraw/zinc/53/23/62/688532362.db2.gz DUMWCSICMJHVAY-NVXWUHKLSA-N 0 3 300.402 2.147 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001028541483 688541207 /nfs/dbraw/zinc/54/12/07/688541207.db2.gz YZLOFMHOVHRHBV-LLVKDONJSA-N 0 3 310.319 2.448 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001028999315 688548139 /nfs/dbraw/zinc/54/81/39/688548139.db2.gz KJPDWJHJNINKDT-OAHLLOKOSA-N 0 3 309.413 2.346 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871155059 688737702 /nfs/dbraw/zinc/73/77/02/688737702.db2.gz PDWOUODHLUFEAP-UHFFFAOYSA-N 0 3 303.406 2.203 20 30 DEEDHN CN(CCNC(=O)Nc1cc(CC#N)ccn1)Cc1ccccc1 ZINC000871721323 688850653 /nfs/dbraw/zinc/85/06/53/688850653.db2.gz NOGWKDPUKKUGIM-UHFFFAOYSA-N 0 3 323.400 2.401 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001031712580 688984515 /nfs/dbraw/zinc/98/45/15/688984515.db2.gz CSEAYVYUXQUAOE-UHFFFAOYSA-N 0 3 314.216 2.017 20 30 DEEDHN C#CCCN1CC(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001031733482 688988190 /nfs/dbraw/zinc/98/81/90/688988190.db2.gz AMRUCZKTSVOPIS-UHFFFAOYSA-N 0 3 300.446 2.130 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cccc3ccc(C)nc32)C1 ZINC001031759385 688991993 /nfs/dbraw/zinc/99/19/93/688991993.db2.gz UELANWAYHDDZOK-UHFFFAOYSA-N 0 3 307.397 2.228 20 30 DEEDHN Cc1cccc2sc(N=NC3CCN(CCO)CC3)nc21 ZINC000872419611 688996795 /nfs/dbraw/zinc/99/67/95/688996795.db2.gz OQVUUMIDWABBFO-UHFFFAOYSA-N 0 3 304.419 2.461 20 30 DEEDHN C#CCOc1ccc(C(=O)NCC2CN(CC[C@H](C)F)C2)cc1 ZINC001032033297 689046018 /nfs/dbraw/zinc/04/60/18/689046018.db2.gz VHFYFKLQPNCAPE-AWEZNQCLSA-N 0 3 318.392 2.108 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000872878710 689111399 /nfs/dbraw/zinc/11/13/99/689111399.db2.gz LNGNDKSQBRKHST-CABCVRRESA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ncc(Cl)s2)CC1 ZINC000872901304 689115640 /nfs/dbraw/zinc/11/56/40/689115640.db2.gz AZSATIHHWJMOIF-UHFFFAOYSA-N 0 3 314.842 2.246 20 30 DEEDHN CC1(C)CC(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)C1 ZINC001032361421 689131450 /nfs/dbraw/zinc/13/14/50/689131450.db2.gz MXTMTHBRLODSGP-GJZGRUSLSA-N 0 3 312.417 2.221 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCOC2)C1 ZINC001032614275 689201995 /nfs/dbraw/zinc/20/19/95/689201995.db2.gz LWZBHJSYIBSLJY-PMPSAXMXSA-N 0 3 304.434 2.054 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(CC)c1C ZINC001032686535 689225100 /nfs/dbraw/zinc/22/51/00/689225100.db2.gz XKUIILSVNIZDFA-HOTGVXAUSA-N 0 3 316.449 2.385 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C)cc1 ZINC001032767613 689252871 /nfs/dbraw/zinc/25/28/71/689252871.db2.gz GZJIKRBBKIFOAB-HOTGVXAUSA-N 0 3 300.402 2.235 20 30 DEEDHN Cc1ccc(Cl)cc1OCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000873498394 689258761 /nfs/dbraw/zinc/25/87/61/689258761.db2.gz UYWPSGDJMVUQAZ-CYBMUJFWSA-N 0 3 320.776 2.359 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001033117382 689394289 /nfs/dbraw/zinc/39/42/89/689394289.db2.gz PPZAZKOKNCZQDN-AWEZNQCLSA-N 0 3 316.449 2.021 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccnn2CC(C)C)C1 ZINC001033121720 689395864 /nfs/dbraw/zinc/39/58/64/689395864.db2.gz JXPZXQCAISARSC-OAHLLOKOSA-N 0 3 304.438 2.262 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cncc(Cl)c2C)C1 ZINC001033161000 689409493 /nfs/dbraw/zinc/40/94/93/689409493.db2.gz OVIALJOHNSNMTC-CYBMUJFWSA-N 0 3 305.809 2.213 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033189924 689418013 /nfs/dbraw/zinc/41/80/13/689418013.db2.gz DOSXQCQLCZUKEY-HRCADAONSA-N 0 3 302.443 2.408 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)nc3sccn32)C1 ZINC001033190049 689418469 /nfs/dbraw/zinc/41/84/69/689418469.db2.gz DZHPNYIMZMXBIO-ZDUSSCGKSA-N 0 3 318.446 2.427 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc3cccnc3c2)C1 ZINC001033193754 689420082 /nfs/dbraw/zinc/42/00/82/689420082.db2.gz VPLZUBVRLCXMQB-QGZVFWFLSA-N 0 3 309.413 2.496 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001033258454 689441462 /nfs/dbraw/zinc/44/14/62/689441462.db2.gz YFINICJVJMBOIO-SFHVURJKSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001033293246 689451357 /nfs/dbraw/zinc/45/13/57/689451357.db2.gz ZTMBAOWYPPJCON-CQSZACIVSA-N 0 3 314.389 2.392 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001033315129 689458604 /nfs/dbraw/zinc/45/86/04/689458604.db2.gz JZNSZULFSQILOJ-SFHVURJKSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033381924 689482657 /nfs/dbraw/zinc/48/26/57/689482657.db2.gz CCVNSHFHPPMERH-NSHDSACASA-N 0 3 310.319 2.274 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001033416298 689493030 /nfs/dbraw/zinc/49/30/30/689493030.db2.gz JYVLUMKGMNVFMG-IBGZPJMESA-N 0 3 323.440 2.232 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2noc3c2CCCCC3)C1 ZINC001033465370 689509844 /nfs/dbraw/zinc/50/98/44/689509844.db2.gz INLRCJCTKBWUSE-CQSZACIVSA-N 0 3 315.417 2.113 20 30 DEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CSc1ccc(C#N)cc1 ZINC000874840094 689513025 /nfs/dbraw/zinc/51/30/25/689513025.db2.gz JWZAHTZJNVHAEZ-JKSUJKDBSA-N 0 3 315.442 2.345 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001033477007 689515597 /nfs/dbraw/zinc/51/55/97/689515597.db2.gz ZTCMIEIZMFNRJQ-CQSZACIVSA-N 0 3 323.396 2.110 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874846938 689517444 /nfs/dbraw/zinc/51/74/44/689517444.db2.gz LUYRTWKXENIZFN-IAOVAPTHSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001033615408 689560543 /nfs/dbraw/zinc/56/05/43/689560543.db2.gz ZJIVOIQFLMWLCB-MRXNPFEDSA-N 0 3 309.413 2.266 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(OCC)cc2)C1 ZINC001033636415 689568721 /nfs/dbraw/zinc/56/87/21/689568721.db2.gz YNPLJSVFRABZEV-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033638817 689569707 /nfs/dbraw/zinc/56/97/07/689569707.db2.gz STABKHQKRPHYAW-OAHLLOKOSA-N 0 3 304.821 2.439 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001033682037 689582066 /nfs/dbraw/zinc/58/20/66/689582066.db2.gz ZLVLZPGZHLGFCW-CQSZACIVSA-N 0 3 312.417 2.214 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001033686210 689583190 /nfs/dbraw/zinc/58/31/90/689583190.db2.gz BMQFWJUSPYJJCP-DLBZAZTESA-N 0 3 301.434 2.222 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033711850 689590968 /nfs/dbraw/zinc/59/09/68/689590968.db2.gz DOKJMNFVEVHWEB-AWEZNQCLSA-N 0 3 313.376 2.477 20 30 DEEDHN CC#CCN1CC[C@H](N(CC)C(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001033833477 689631277 /nfs/dbraw/zinc/63/12/77/689631277.db2.gz OOLVXKFCFOLTKU-HNNXBMFYSA-N 0 3 316.449 2.168 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033866494 689644327 /nfs/dbraw/zinc/64/43/27/689644327.db2.gz AIITXHJBXWCTAP-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001033883147 689650106 /nfs/dbraw/zinc/65/01/06/689650106.db2.gz WMIFXPITKYKCFL-INIZCTEOSA-N 0 3 316.449 2.260 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccnc3ccncc32)C1 ZINC001033916892 689660489 /nfs/dbraw/zinc/66/04/89/689660489.db2.gz QAJLDYXVBVTLQL-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001033953606 689671604 /nfs/dbraw/zinc/67/16/04/689671604.db2.gz OLKZQDCBTZRWDN-AEFFLSMTSA-N 0 3 313.445 2.295 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2coc(C3CC3)n2)C1 ZINC001033983178 689684172 /nfs/dbraw/zinc/68/41/72/689684172.db2.gz YOXVFPHMUMMYNL-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccn3ccnc23)C1 ZINC001033990792 689685530 /nfs/dbraw/zinc/68/55/30/689685530.db2.gz XQIPSFFLHLFNEZ-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN CCCCCCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000875764806 689689851 /nfs/dbraw/zinc/68/98/51/689689851.db2.gz RAKWZIJBZSHSLQ-UHFFFAOYSA-N 0 3 312.502 2.236 20 30 DEEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001034005658 689690431 /nfs/dbraw/zinc/69/04/31/689690431.db2.gz SJIASUXUZXKVNQ-HNNXBMFYSA-N 0 3 317.433 2.186 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034017824 689695718 /nfs/dbraw/zinc/69/57/18/689695718.db2.gz LJXBJQSELMYEQD-INIZCTEOSA-N 0 3 313.445 2.453 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2c[nH]c3cccnc23)C1 ZINC001034019225 689695829 /nfs/dbraw/zinc/69/58/29/689695829.db2.gz NUQXXCRIZOOJNJ-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001034060389 689709582 /nfs/dbraw/zinc/70/95/82/689709582.db2.gz PSKDZCMHGFLZAR-SFHVURJKSA-N 0 3 313.445 2.384 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001034211885 689764478 /nfs/dbraw/zinc/76/44/78/689764478.db2.gz PMCVDRZEHBLKDH-LSDHHAIUSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001034243639 689778751 /nfs/dbraw/zinc/77/87/51/689778751.db2.gz HVLMVNKQJKUVLZ-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001034252555 689781774 /nfs/dbraw/zinc/78/17/74/689781774.db2.gz SEGRMQFPMBPDLB-OAHLLOKOSA-N 0 3 318.392 2.442 20 30 DEEDHN CC#CCN1CCCC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001034253342 689783369 /nfs/dbraw/zinc/78/33/69/689783369.db2.gz HRHOQVVRJGVPOI-GFCCVEGCSA-N 0 3 322.840 2.233 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001034283658 689793810 /nfs/dbraw/zinc/79/38/10/689793810.db2.gz ULVQTYYCVZSTMH-OAHLLOKOSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2nc(C)c(C)nc2C)C1 ZINC001034302278 689801693 /nfs/dbraw/zinc/80/16/93/689801693.db2.gz VYOVFLZGTDZSLD-INIZCTEOSA-N 0 3 314.433 2.009 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001034398665 689835632 /nfs/dbraw/zinc/83/56/32/689835632.db2.gz LOKUXJQNHDKFFY-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000876563638 689858309 /nfs/dbraw/zinc/85/83/09/689858309.db2.gz BKFWZSYWJXWLEU-MFKMUULPSA-N 0 3 312.797 2.351 20 30 DEEDHN Cc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)c(O)c1 ZINC000876565198 689858814 /nfs/dbraw/zinc/85/88/14/689858814.db2.gz GTUYWQSFDRKVCX-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001034463125 689859198 /nfs/dbraw/zinc/85/91/98/689859198.db2.gz QONIUAGRRFSARG-OAHLLOKOSA-N 0 3 319.453 2.328 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001034474533 689864084 /nfs/dbraw/zinc/86/40/84/689864084.db2.gz LOZFRXPQKQDCMQ-HNNXBMFYSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001034476750 689865035 /nfs/dbraw/zinc/86/50/35/689865035.db2.gz IXPPRQDFSKZTOJ-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001034487190 689869507 /nfs/dbraw/zinc/86/95/07/689869507.db2.gz MQBRIGLBVIEKFY-QAPCUYQASA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000876601101 689872369 /nfs/dbraw/zinc/87/23/69/689872369.db2.gz REMBSVWQTUVXIH-GXFFZTMASA-N 0 3 321.808 2.218 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001034501615 689875720 /nfs/dbraw/zinc/87/57/20/689875720.db2.gz XJIYNDYWXNZKAK-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(OC2CCCC2)CC1 ZINC000876636825 689884745 /nfs/dbraw/zinc/88/47/45/689884745.db2.gz DUHJHQXHSPOINL-AWEZNQCLSA-N 0 3 300.830 2.407 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(OCC(F)F)c1 ZINC000876640717 689885491 /nfs/dbraw/zinc/88/54/91/689885491.db2.gz CLFQLVHJPVPFSI-LBPRGKRZSA-N 0 3 318.751 2.417 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC001034524040 689885576 /nfs/dbraw/zinc/88/55/76/689885576.db2.gz KPMUEESIUTZEQK-KRWDZBQOSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2csc3nccn23)C1 ZINC001034529475 689887476 /nfs/dbraw/zinc/88/74/76/689887476.db2.gz HUBSFLQCAFTJIY-ZDUSSCGKSA-N 0 3 318.446 2.095 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2cc(OC)ccc2C1 ZINC000876648387 689888166 /nfs/dbraw/zinc/88/81/66/689888166.db2.gz ZVGQILODPSWYPT-HNNXBMFYSA-N 0 3 308.809 2.440 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC001034532872 689889060 /nfs/dbraw/zinc/88/90/60/689889060.db2.gz QDJPFSCKKSHKGZ-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC(=O)OC)c1ccccc1 ZINC000876650332 689889296 /nfs/dbraw/zinc/88/92/96/689889296.db2.gz BNLYTUMGLDLNBM-KGLIPLIRSA-N 0 3 324.808 2.267 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001034537222 689889793 /nfs/dbraw/zinc/88/97/93/689889793.db2.gz LSHSDUHYPOMXEF-CQSZACIVSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001034549470 689895812 /nfs/dbraw/zinc/89/58/12/689895812.db2.gz KQDIILHBBKTGJU-ZBFHGGJFSA-N 0 3 300.402 2.319 20 30 DEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001034551513 689896296 /nfs/dbraw/zinc/89/62/96/689896296.db2.gz TUQPJPMVEQGEBN-CYBMUJFWSA-N 0 3 323.462 2.450 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001034559230 689898195 /nfs/dbraw/zinc/89/81/95/689898195.db2.gz RESITSDVMLQQIF-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1csc(C(C)C)n1 ZINC000876743830 689924774 /nfs/dbraw/zinc/92/47/74/689924774.db2.gz NFTNUJSFCKTZFH-NSHDSACASA-N 0 3 301.843 2.395 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C)c2cc(F)ccc21 ZINC000876769243 689932041 /nfs/dbraw/zinc/93/20/41/689932041.db2.gz UTAXUBXKAKAAEI-LBPRGKRZSA-N 0 3 311.788 2.469 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000876955419 689982050 /nfs/dbraw/zinc/98/20/50/689982050.db2.gz XUTDQXOEFKCCDI-LPEHRKFASA-N 0 3 314.735 2.073 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000876894820 689966293 /nfs/dbraw/zinc/96/62/93/689966293.db2.gz SEDACJHMUSUHMH-ZDUSSCGKSA-N 0 3 300.736 2.319 20 30 DEEDHN N#Cc1cnc(Cl)c(CNCCCN2CCCCCC2=O)c1 ZINC000876893187 689966422 /nfs/dbraw/zinc/96/64/22/689966422.db2.gz WTSBMFWVBAGJQD-UHFFFAOYSA-N 0 3 320.824 2.489 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000876900013 689968300 /nfs/dbraw/zinc/96/83/00/689968300.db2.gz UBUYXYODOZSOFG-JLJPHGGASA-N 0 3 324.852 2.202 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(F)c(F)c(F)c1 ZINC000876904589 689969559 /nfs/dbraw/zinc/96/95/59/689969559.db2.gz FPSUALACXYAKMQ-NSHDSACASA-N 0 3 306.715 2.233 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000876903352 689969717 /nfs/dbraw/zinc/96/97/17/689969717.db2.gz VWFBVYMLVWDYGA-MRXNPFEDSA-N 0 3 320.820 2.286 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1nsc2ccccc12 ZINC000876974748 689987504 /nfs/dbraw/zinc/98/75/04/689987504.db2.gz RLGBFDJFFUUYJC-NSHDSACASA-N 0 3 309.822 2.425 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034935041 689995529 /nfs/dbraw/zinc/99/55/29/689995529.db2.gz GHWWAAOIKCYUKM-MRXNPFEDSA-N 0 3 300.377 2.320 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCC(F)(F)c1ccc(F)cc1F ZINC000877307048 690071871 /nfs/dbraw/zinc/07/18/71/690071871.db2.gz LASGDASUTSUUEQ-LBPRGKRZSA-N 0 3 317.286 2.194 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)nnc1C)CC2 ZINC001035712224 690157982 /nfs/dbraw/zinc/15/79/82/690157982.db2.gz GYGVYCFSIMIMNK-UHFFFAOYSA-N 0 3 314.433 2.208 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1nn(C)cc1Cl)CC2 ZINC001035712160 690158205 /nfs/dbraw/zinc/15/82/05/690158205.db2.gz FSRQVPQNSKTMIP-UHFFFAOYSA-N 0 3 322.840 2.188 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)c1ccnn1C)CC2 ZINC001035710448 690158281 /nfs/dbraw/zinc/15/82/81/690158281.db2.gz YNRRKGZKRVZDPG-OAHLLOKOSA-N 0 3 316.449 2.024 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c[nH]nc1C1CC1)CC2 ZINC001035831028 690187096 /nfs/dbraw/zinc/18/70/96/690187096.db2.gz DMEAGSONCMEZMO-UHFFFAOYSA-N 0 3 314.433 2.401 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1sccc1OC)CC2 ZINC001035841038 690190618 /nfs/dbraw/zinc/19/06/18/690190618.db2.gz IODUGUUDZSEFLS-UHFFFAOYSA-N 0 3 318.442 2.318 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@H]1OC)CC2 ZINC001035861798 690196165 /nfs/dbraw/zinc/19/61/65/690196165.db2.gz RDISYVIYEKQXEZ-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1ccccc1C#N ZINC001036021739 690238133 /nfs/dbraw/zinc/23/81/33/690238133.db2.gz KFSKNICKBMEZPP-BEFAXECRSA-N 0 3 321.424 2.298 20 30 DEEDHN N#Cc1cnn2cc(CNC3CC(Nc4ccccc4)C3)cnc12 ZINC000877828996 690244258 /nfs/dbraw/zinc/24/42/58/690244258.db2.gz OMYVQFQYAACKHM-UHFFFAOYSA-N 0 3 318.384 2.334 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2nccn2C)[C@@H](C)C1 ZINC001036138438 690272702 /nfs/dbraw/zinc/27/27/02/690272702.db2.gz SEQUYBKZKTUPAY-GJZGRUSLSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC001036139943 690273247 /nfs/dbraw/zinc/27/32/47/690273247.db2.gz BFKMFEQCSKOIRK-BBRMVZONSA-N 0 3 318.465 2.267 20 30 DEEDHN COc1ccc(CN2CC[C@H]3CN(C(C)=O)CC[C@H]32)cc1C#N ZINC001036605261 690396246 /nfs/dbraw/zinc/39/62/46/690396246.db2.gz QSALJDYDSCSURH-DOTOQJQBSA-N 0 3 313.401 2.010 20 30 DEEDHN CC[C@]1(O)CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878466618 690415979 /nfs/dbraw/zinc/41/59/79/690415979.db2.gz UHNWKDIEFUUNGJ-ROUUACIJSA-N 0 3 300.402 2.274 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H]3CC4(CCC4)CO3)C2)nc1 ZINC000878642329 690464186 /nfs/dbraw/zinc/46/41/86/690464186.db2.gz ZWQHZRKSDGLEBW-HOTGVXAUSA-N 0 3 313.401 2.366 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)ccc1OC ZINC000878680823 690475462 /nfs/dbraw/zinc/47/54/62/690475462.db2.gz VXGKVFRKPTYRRQ-CABCVRRESA-N 0 3 305.374 2.305 20 30 DEEDHN CC(=O)N[C@H]1CCCC[C@@H]1CNCc1cc(F)ccc1C#N ZINC001037133272 690577799 /nfs/dbraw/zinc/57/77/99/690577799.db2.gz VVUNJZSUOGDTPH-PBHICJAKSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1cccc(C#N)c1 ZINC000879432327 690640016 /nfs/dbraw/zinc/64/00/16/690640016.db2.gz IDRRYCRULPSRDT-UHFFFAOYSA-N 0 3 313.361 2.146 20 30 DEEDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1[O-] ZINC000879650380 690699203 /nfs/dbraw/zinc/69/92/03/690699203.db2.gz YBEKMTWSBWKGDN-UKRRQHHQSA-N 0 3 312.369 2.354 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CCC(=O)OC)C1 ZINC000880036714 690787304 /nfs/dbraw/zinc/78/73/04/690787304.db2.gz DONMYTCAYNQAAT-CVEARBPZSA-N 0 3 324.465 2.465 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)OCCCO2 ZINC001038346296 690789615 /nfs/dbraw/zinc/78/96/15/690789615.db2.gz VQVOHGSDPAVTBP-OAHLLOKOSA-N 0 3 316.401 2.228 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(OC)c(OC)c1C ZINC001038383193 690800867 /nfs/dbraw/zinc/80/08/67/690800867.db2.gz ZRDHWMDBENYPKL-AWEZNQCLSA-N 0 3 318.417 2.392 20 30 DEEDHN C=C(C)CN1CC[C@@H]1CNC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001038453419 690828101 /nfs/dbraw/zinc/82/81/01/690828101.db2.gz YXZQYNZHZSEIEG-LLVKDONJSA-N 0 3 308.813 2.321 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001038485451 690837736 /nfs/dbraw/zinc/83/77/36/690837736.db2.gz OSEIXOMZXADEHR-SJORKVTESA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1-n1cccn1 ZINC001038740795 690910816 /nfs/dbraw/zinc/91/08/16/690910816.db2.gz BRNIGFWROZUQRZ-OAHLLOKOSA-N 0 3 310.401 2.253 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H]2CCC[C@]23CCCO3)c(C#N)c1C ZINC000880512166 690914402 /nfs/dbraw/zinc/91/44/02/690914402.db2.gz PZCVJAUABPURDH-PBHICJAKSA-N 0 3 317.389 2.398 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038879808 690954010 /nfs/dbraw/zinc/95/40/10/690954010.db2.gz YJRKZEOBJGCVNN-AWEZNQCLSA-N 0 3 304.438 2.314 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1C ZINC001038912477 690965063 /nfs/dbraw/zinc/96/50/63/690965063.db2.gz CWFQQOLXGDACKP-HNNXBMFYSA-N 0 3 315.417 2.334 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001038926611 690968506 /nfs/dbraw/zinc/96/85/06/690968506.db2.gz VUVCUQSUYJDDJU-LBPRGKRZSA-N 0 3 316.361 2.100 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039021173 690994274 /nfs/dbraw/zinc/99/42/74/690994274.db2.gz KJLDGRCTJDDOCN-AWEZNQCLSA-N 0 3 314.389 2.440 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001039039863 691000968 /nfs/dbraw/zinc/00/09/68/691000968.db2.gz PNLCWBSJROXDQB-GOEBONIOSA-N 0 3 318.392 2.286 20 30 DEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ncoc2C)C1 ZINC001039194398 691047798 /nfs/dbraw/zinc/04/77/98/691047798.db2.gz PREDALBIYHZSFG-HZPDHXFCSA-N 0 3 315.417 2.323 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc(C)no2)C1 ZINC001039194007 691047893 /nfs/dbraw/zinc/04/78/93/691047893.db2.gz SWBQZKCZNBLQJF-HOTGVXAUSA-N 0 3 315.417 2.323 20 30 DEEDHN C=CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(=O)C(C)(C)C)C1 ZINC001039195451 691049041 /nfs/dbraw/zinc/04/90/41/691049041.db2.gz ICLMIKYQAOEUCO-LSDHHAIUSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2csnc2C)C1 ZINC001039199785 691051094 /nfs/dbraw/zinc/05/10/94/691051094.db2.gz XAPPUMFXICSSIG-HOCLYGCPSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cnc(C)s2)C1 ZINC001039209628 691054914 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C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCOCC1 ZINC001039437307 691105886 /nfs/dbraw/zinc/10/58/86/691105886.db2.gz GGKFBEALXSLPKU-CVEARBPZSA-N 0 3 324.440 2.394 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1ccnc1 ZINC001039445855 691107766 /nfs/dbraw/zinc/10/77/66/691107766.db2.gz JSKXRIIJVGQUTF-OAGGEKHMSA-N 0 3 302.422 2.086 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1ccnc1 ZINC001039445695 691107931 /nfs/dbraw/zinc/10/79/31/691107931.db2.gz DDCSKTSGANNCNO-ZACQAIPSSA-N 0 3 316.449 2.476 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)n1 ZINC001039448140 691108288 /nfs/dbraw/zinc/10/82/88/691108288.db2.gz XVXFTRLWLUALMD-CABCVRRESA-N 0 3 302.422 2.158 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCOCC1 ZINC001039447631 691108553 /nfs/dbraw/zinc/10/85/53/691108553.db2.gz WJKWBXGWTFOEKT-SJORKVTESA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1OC ZINC001039466815 691113414 /nfs/dbraw/zinc/11/34/14/691113414.db2.gz 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C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc(C)no2)C1 ZINC001053070013 693683477 /nfs/dbraw/zinc/68/34/77/693683477.db2.gz RXLPKYPXZKPVBD-JKSUJKDBSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000932464407 694620978 /nfs/dbraw/zinc/62/09/78/694620978.db2.gz ZAISKLFWSSNCLT-QGZVFWFLSA-N 0 3 315.461 2.139 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cc(C)ccc2F)C1 ZINC001332051905 1149814251 /nfs/dbraw/zinc/81/42/51/1149814251.db2.gz VWQNXJBRDZPWQF-HOCLYGCPSA-N 0 3 302.393 2.279 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001335521469 1150442099 /nfs/dbraw/zinc/44/20/99/1150442099.db2.gz HOLXQUDNFBHRHM-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)Cn1c([C@H](O)CC)nnc1N1CCN(CC(C)C)CC1 ZINC001346703768 1151015858 /nfs/dbraw/zinc/01/58/58/1151015858.db2.gz OYWIPKIFJQGNGA-OAHLLOKOSA-N 0 3 321.469 2.076 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001351863240 1151624108 /nfs/dbraw/zinc/62/41/08/1151624108.db2.gz ZHEZYAXXLXCRPW-ZNMIVQPWSA-N 0 3 321.444 2.458 20 30 DEEDHN N#Cc1cccc(NC(=O)CCNCC#C[C@@H]2CCCCO2)c1 ZINC001353378806 1151827626 /nfs/dbraw/zinc/82/76/26/1151827626.db2.gz XKDBUAFRURJLQV-KRWDZBQOSA-N 0 3 311.385 2.049 20 30 DEEDHN Cc1ccncc1CN1CC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001402797195 1162474344 /nfs/dbraw/zinc/47/43/44/1162474344.db2.gz JXRDSIOMVSPLPU-GDBMZVCRSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1C[C@@H](C(=O)OC)c2ccccc21 ZINC001358050526 1152357783 /nfs/dbraw/zinc/35/77/83/1152357783.db2.gz BZCRZADAOSYKKU-OAGGEKHMSA-N 0 3 316.401 2.188 20 30 DEEDHN Cc1ncsc1CN1CCC(C)(CNC(=O)[C@@H](C)C#N)CC1 ZINC001380435774 1152811871 /nfs/dbraw/zinc/81/18/71/1152811871.db2.gz SCDVTXPAURHFEY-LBPRGKRZSA-N 0 3 320.462 2.330 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1ccn(C(C)C)n1 ZINC001381200918 1152948458 /nfs/dbraw/zinc/94/84/58/1152948458.db2.gz MBNULSCFECGMCF-ZDUSSCGKSA-N 0 3 312.845 2.243 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2cccnc2C)C1 ZINC001381333785 1153007463 /nfs/dbraw/zinc/00/74/63/1153007463.db2.gz ZICNEHKUQOBKKX-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN CCC[C@H](OC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001381561996 1153127294 /nfs/dbraw/zinc/12/72/94/1153127294.db2.gz VMQPHNOMGGQWIY-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN CN(CC(=O)N1CC(Nc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001363048869 1153199240 /nfs/dbraw/zinc/19/92/40/1153199240.db2.gz FVMHQUIDXNRAPH-UHFFFAOYSA-N 0 3 314.433 2.159 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H]1C ZINC001382333131 1153427221 /nfs/dbraw/zinc/42/72/21/1153427221.db2.gz IQVOTGRXGYUTQZ-KBPBESRZSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001402951151 1162566734 /nfs/dbraw/zinc/56/67/34/1162566734.db2.gz PYWLASNNOIUZPO-ZALBZXLWSA-N 0 3 314.857 2.429 20 30 DEEDHN CCc1onc(C)c1CN1CCC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001390041523 1155507804 /nfs/dbraw/zinc/50/78/04/1155507804.db2.gz GAIVUEPKBFUICL-TZMCWYRMSA-N 0 3 318.421 2.033 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1cccc(F)c1 ZINC001403104135 1162718200 /nfs/dbraw/zinc/71/82/00/1162718200.db2.gz AZLOOSWFHMRSRG-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCCN1C(=O)C(C)(C)c1cnc[nH]1 ZINC001370971341 1155659679 /nfs/dbraw/zinc/65/96/79/1155659679.db2.gz XLPVUPOPKIZIKH-CYBMUJFWSA-N 0 3 324.856 2.411 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2cc[nH]c2c1 ZINC001371774750 1156009551 /nfs/dbraw/zinc/00/95/51/1156009551.db2.gz UIGDOTUZCWNWCG-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)CCc1nccs1 ZINC001371884458 1156052820 /nfs/dbraw/zinc/05/28/20/1156052820.db2.gz XAZITTVJAIMOOH-NSHDSACASA-N 0 3 301.843 2.313 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001372634952 1156623918 /nfs/dbraw/zinc/62/39/18/1156623918.db2.gz XEZPQSIXRASQOV-HZPDHXFCSA-N 0 3 303.381 2.244 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccnc2[nH]cnc21)C(C)C ZINC001392219641 1156895678 /nfs/dbraw/zinc/89/56/78/1156895678.db2.gz VXOGFRMIEZVTOH-GFCCVEGCSA-N 0 3 321.812 2.054 20 30 DEEDHN C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001403287708 1162839291 /nfs/dbraw/zinc/83/92/91/1162839291.db2.gz NICWQKODBVAGAB-OAHLLOKOSA-N 0 3 315.889 2.440 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccsn1 ZINC001392576812 1157153065 /nfs/dbraw/zinc/15/30/65/1157153065.db2.gz YLXCYRXGISBWJV-JTQLQIEISA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001403403848 1162874068 /nfs/dbraw/zinc/87/40/68/1162874068.db2.gz IHXSYFMIHPZDCC-ZOBORPQBSA-N 0 3 300.830 2.038 20 30 DEEDHN COc1cccc(CNC[C@H](C)N(C)C(=O)[C@@H](C)C#N)c1Cl ZINC001374205910 1157726581 /nfs/dbraw/zinc/72/65/81/1157726581.db2.gz KRRGPELCFJBXQI-RYUDHWBXSA-N 0 3 323.824 2.445 20 30 DEEDHN Cc1ocnc1C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1 ZINC001374257386 1157771474 /nfs/dbraw/zinc/77/14/74/1157771474.db2.gz OXPNBYKKQKKDQU-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1cncs1)C1CCCCC1 ZINC001374357762 1157825753 /nfs/dbraw/zinc/82/57/53/1157825753.db2.gz JFFYULCSEHPNIS-WFASDCNBSA-N 0 3 320.462 2.457 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@]1(C)CCCOC1)C(C)C ZINC001374439414 1157856179 /nfs/dbraw/zinc/85/61/79/1157856179.db2.gz PHLWKMSPVAHANV-HIFRSBDPSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@]1(C)CCCOC1)C(C)C ZINC001374439413 1157856279 /nfs/dbraw/zinc/85/62/79/1157856279.db2.gz PHLWKMSPVAHANV-DZGCQCFKSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC(C)(F)F ZINC001374931345 1158098114 /nfs/dbraw/zinc/09/81/14/1158098114.db2.gz IMHBYVNZYJWKTM-VIFPVBQESA-N 0 3 301.362 2.259 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001374945721 1158113291 /nfs/dbraw/zinc/11/32/91/1158113291.db2.gz LSIWVZBQWMXZTH-KNXALSJPSA-N 0 3 315.392 2.338 20 30 DEEDHN COC[C@@H](C)CC(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375134901 1158343478 /nfs/dbraw/zinc/34/34/78/1158343478.db2.gz QOTLWQUOZJIRKL-LSDHHAIUSA-N 0 3 317.433 2.167 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(CCCc2ccsc2)C1 ZINC001394221339 1158381565 /nfs/dbraw/zinc/38/15/65/1158381565.db2.gz SUCULWRTJCTLKK-QWHCGFSZSA-N 0 3 305.447 2.277 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)CC4CC4)[C@@H]3C2)cc1 ZINC001394297323 1158406409 /nfs/dbraw/zinc/40/64/09/1158406409.db2.gz ZKURQLHMQZUQAB-NNZMDNLPSA-N 0 3 309.413 2.152 20 30 DEEDHN CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC/C=C\Cl ZINC001394711431 1158716216 /nfs/dbraw/zinc/71/62/16/1158716216.db2.gz IPHGUPAHTOVRLL-DHCBQETCSA-N 0 3 306.797 2.079 20 30 DEEDHN CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC/C=C\Cl ZINC001394715854 1158721386 /nfs/dbraw/zinc/72/13/86/1158721386.db2.gz NWQQHPBGUKPMCM-DHCBQETCSA-N 0 3 306.797 2.079 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)[C@H]3CC34CC4)CC2)ccc1F ZINC001375491851 1158762613 /nfs/dbraw/zinc/76/26/13/1158762613.db2.gz QSGLRMKMBRPTKB-CQSZACIVSA-N 0 3 313.376 2.236 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001375527611 1158803318 /nfs/dbraw/zinc/80/33/18/1158803318.db2.gz XFVNBDMPFSSERL-MRVWCRGKSA-N 0 3 300.830 2.038 20 30 DEEDHN Cc1oncc1CN1CC[C@@H](NC(=O)[C@H](C)C#N)CC(C)(C)C1 ZINC001375695574 1158850244 /nfs/dbraw/zinc/85/02/44/1158850244.db2.gz XABQPNNCUNCBHW-IUODEOHRSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001376571010 1159552854 /nfs/dbraw/zinc/55/28/54/1159552854.db2.gz CLZTZRNISXCSHF-CQSZACIVSA-N 0 3 313.873 2.194 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001376715072 1159717783 /nfs/dbraw/zinc/71/77/83/1159717783.db2.gz PBXDVBWNNFHXMS-RYUDHWBXSA-N 0 3 309.435 2.029 20 30 DEEDHN Cc1cc[nH]c1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001377021796 1159878793 /nfs/dbraw/zinc/87/87/93/1159878793.db2.gz VRTPJYMBLPJMBV-CQSZACIVSA-N 0 3 310.401 2.493 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc(NC(N)=O)cc1 ZINC001377090544 1159896393 /nfs/dbraw/zinc/89/63/93/1159896393.db2.gz GACRSRSUSYNGJM-LLVKDONJSA-N 0 3 324.812 2.028 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2cccnc2)C1 ZINC001397124885 1160004474 /nfs/dbraw/zinc/00/44/74/1160004474.db2.gz AVRQSZDYGJMBBD-SHTZXODSSA-N 0 3 307.825 2.251 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H](C)C(C)(F)F)CCOCC1 ZINC001377200573 1160029628 /nfs/dbraw/zinc/02/96/28/1160029628.db2.gz HYWRWCYBBNTBGK-LLVKDONJSA-N 0 3 324.799 2.285 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001377398293 1160327639 /nfs/dbraw/zinc/32/76/39/1160327639.db2.gz MYZIISZXDSOXDQ-CQSZACIVSA-N 0 3 313.873 2.194 20 30 DEEDHN CC(C)(F)C(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001377428465 1160358482 /nfs/dbraw/zinc/35/84/82/1160358482.db2.gz UQGATWXLCNWYLY-HNNXBMFYSA-N 0 3 303.381 2.244 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001378036032 1160944409 /nfs/dbraw/zinc/94/44/09/1160944409.db2.gz FRLJQVBCSFGPSQ-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)CN2CCCC2)C1 ZINC001398794697 1161105093 /nfs/dbraw/zinc/10/50/93/1161105093.db2.gz PRXOMXNBKKEKIE-LSDHHAIUSA-N 0 3 313.873 2.051 20 30 DEEDHN CO[C@H](C(=O)NC[C@@H](C)NCc1ccc(C#N)s1)C1CCC1 ZINC001399028855 1161195741 /nfs/dbraw/zinc/19/57/41/1161195741.db2.gz KPQPVRKDUTXBEG-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001399286232 1161320381 /nfs/dbraw/zinc/32/03/81/1161320381.db2.gz RKOTWVLSURVBGM-CQSZACIVSA-N 0 3 301.862 2.002 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)C(C)C ZINC001401341986 1161939494 /nfs/dbraw/zinc/93/94/94/1161939494.db2.gz IXMHNSHXRCSFLK-AWEZNQCLSA-N 0 3 310.829 2.384 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cc(F)c[nH]1 ZINC001401756996 1162111079 /nfs/dbraw/zinc/11/10/79/1162111079.db2.gz HKFCWVJVRYZZHQ-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001401772974 1162122852 /nfs/dbraw/zinc/12/28/52/1162122852.db2.gz USFBKLBMERMTEY-GJZGRUSLSA-N 0 3 317.433 2.310 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001401791289 1162133053 /nfs/dbraw/zinc/13/30/53/1162133053.db2.gz FFILGOWRBZYTDF-CABCVRRESA-N 0 3 315.889 2.438 20 30 DEEDHN CC[C@H](CNC(=O)COC(C)C)NCc1ccc(C#N)s1 ZINC001405194895 1164007381 /nfs/dbraw/zinc/00/73/81/1164007381.db2.gz IZUWDZPDAYUTTE-GFCCVEGCSA-N 0 3 309.435 2.029 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)C#N)NCc1cccc(OC)c1Cl ZINC001405216963 1164017260 /nfs/dbraw/zinc/01/72/60/1164017260.db2.gz REUACONFZNZMKB-WCQYABFASA-N 0 3 323.824 2.493 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)n1cccn1)C1CC1 ZINC001405467710 1164106616 /nfs/dbraw/zinc/10/66/16/1164106616.db2.gz ZKEIDRAFBLHHDE-DOMZBBRYSA-N 0 3 310.829 2.071 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](OC)C1CCC1)C1CC1 ZINC001405482336 1164112501 /nfs/dbraw/zinc/11/25/01/1164112501.db2.gz UAKSLLBDDPACSG-GDBMZVCRSA-N 0 3 314.857 2.429 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)[C@@H]1CC12CC2 ZINC001405693263 1164189087 /nfs/dbraw/zinc/18/90/87/1164189087.db2.gz LGWGDHQKXLOMRH-WBMJQRKESA-N 0 3 315.392 2.339 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)C[C@H]1CCCCO1)C(C)C ZINC001406023142 1164394877 /nfs/dbraw/zinc/39/48/77/1164394877.db2.gz UYLNSRXJKNDUDJ-ZIAGYGMSSA-N 0 3 302.846 2.429 20 30 DEEDHN COCC1(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CCC1 ZINC001406507276 1164645430 /nfs/dbraw/zinc/64/54/30/1164645430.db2.gz DDUGWYXUTWGKET-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN CSC[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001406583983 1164693984 /nfs/dbraw/zinc/69/39/84/1164693984.db2.gz JKWBXBSHQBFTHK-ZIAGYGMSSA-N 0 3 319.474 2.494 20 30 DEEDHN CC[C@@H](SC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001406918756 1164883435 /nfs/dbraw/zinc/88/34/35/1164883435.db2.gz MKXPXCOCHUVKNH-OAHLLOKOSA-N 0 3 317.458 2.438 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(C)CCN(CCC(F)(F)F)CC1 ZINC001407263143 1165073259 /nfs/dbraw/zinc/07/32/59/1165073259.db2.gz PBTYQJKMFQIQBX-LLVKDONJSA-N 0 3 305.344 2.317 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COCC2CCCC2)C1 ZINC001418061943 1167389252 /nfs/dbraw/zinc/38/92/52/1167389252.db2.gz KVPYSMUSCUKXJX-HDJSIYSDSA-N 0 3 300.830 2.183 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001418100989 1167410449 /nfs/dbraw/zinc/41/04/49/1167410449.db2.gz IKKKAXNIQMRCCL-LZWOXQAQSA-N 0 3 321.371 2.428 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001418929138 1168072068 /nfs/dbraw/zinc/07/20/68/1168072068.db2.gz LWDOIEODYAUJFD-QWHCGFSZSA-N 0 3 306.385 2.028 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C1CCN(CCOc2ccccc2)CC1 ZINC001419074267 1168180034 /nfs/dbraw/zinc/18/00/34/1168180034.db2.gz VBAAAJOJHAPOQH-OAHLLOKOSA-N 0 3 315.417 2.148 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001419460949 1168506805 /nfs/dbraw/zinc/50/68/05/1168506805.db2.gz MIZHQSJOTKJVFC-AWEZNQCLSA-N 0 3 324.428 2.361 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001419548219 1168588704 /nfs/dbraw/zinc/58/87/04/1168588704.db2.gz UTHCCXGPHROTAX-PBHICJAKSA-N 0 3 310.401 2.046 20 30 DEEDHN C[C@@H](CNC(=O)CC1CCC1)NCc1ccc(C#N)c(F)c1 ZINC001419716351 1168817102 /nfs/dbraw/zinc/81/71/02/1168817102.db2.gz IGSNDVQEHUIPGJ-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001420143956 1169195349 /nfs/dbraw/zinc/19/53/49/1169195349.db2.gz PEFNIAXTMDBNDJ-JTQLQIEISA-N 0 3 322.796 2.119 20 30 DEEDHN C[C@@H](CCNC(=O)Cc1ccc[nH]1)NCc1ccccc1C#N ZINC001420165563 1169205415 /nfs/dbraw/zinc/20/54/15/1169205415.db2.gz RDNCFROGOMDJNY-AWEZNQCLSA-N 0 3 310.401 2.113 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001420614014 1169829518 /nfs/dbraw/zinc/82/95/18/1169829518.db2.gz GQUJBIIIMXUKBF-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)c3cc[nH]c3)CC2)ccc1F ZINC001420956848 1171379244 /nfs/dbraw/zinc/37/92/44/1171379244.db2.gz KDCUWQNXOSCBES-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN Cc1ccncc1CN1CCC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001421282961 1171670560 /nfs/dbraw/zinc/67/05/60/1171670560.db2.gz OZNJCYJTLRZWHD-MAUKXSAKSA-N 0 3 314.433 2.268 20 30 DEEDHN CCCCC(=O)N1CCO[C@@H](CNCc2ccc(C#N)s2)C1 ZINC001421804866 1172006473 /nfs/dbraw/zinc/00/64/73/1172006473.db2.gz PTYHFNWASDHBPE-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN CO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001421838741 1172033233 /nfs/dbraw/zinc/03/32/33/1172033233.db2.gz PILFMKMKFROUKJ-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)[C@@H]1CC12CC2)C(C)C ZINC001422132752 1172331021 /nfs/dbraw/zinc/33/10/21/1172331021.db2.gz UNCFWYTZWRTFJS-RYUDHWBXSA-N 0 3 315.255 2.426 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCC(O)(c2nccn2C)CC1 ZINC001422194462 1172383682 /nfs/dbraw/zinc/38/36/82/1172383682.db2.gz LIIMKISTXKXFJO-UHFFFAOYSA-N 0 3 324.428 2.392 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccncc2C)C1 ZINC001422261529 1172447295 /nfs/dbraw/zinc/44/72/95/1172447295.db2.gz YIZXLUQBWYDHIS-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(=O)[nH]1 ZINC001422292887 1172461056 /nfs/dbraw/zinc/46/10/56/1172461056.db2.gz OSAOKOATCCQTGH-UHFFFAOYSA-N 0 3 310.357 2.119 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)Cc1ccco1 ZINC001422706022 1172820950 /nfs/dbraw/zinc/82/09/50/1172820950.db2.gz KTWMUYHWUTYZGY-NSHDSACASA-N 0 3 303.387 2.050 20 30 DEEDHN Cc1ncoc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001422785954 1172861483 /nfs/dbraw/zinc/86/14/83/1172861483.db2.gz AFOQXHQUVDNONM-GFCCVEGCSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001422908218 1172918406 /nfs/dbraw/zinc/91/84/06/1172918406.db2.gz NFWSDCJCNJRQGY-GZYXLSHKSA-N 0 3 314.857 2.429 20 30 DEEDHN CS[C@@H](C)C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001422975065 1172990906 /nfs/dbraw/zinc/99/09/06/1172990906.db2.gz YUSAWRFTNGJIKS-HZMBPMFUSA-N 0 3 323.487 2.356 20 30 DEEDHN Cc1ocnc1C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001423029817 1173028060 /nfs/dbraw/zinc/02/80/60/1173028060.db2.gz LFBPKPNYNVJMBU-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN CC1CC(C(=O)NCC2(NCc3ccc(F)c(C#N)c3)CC2)C1 ZINC001423191809 1173158425 /nfs/dbraw/zinc/15/84/25/1173158425.db2.gz HMFDCDYLYQUZHW-UHFFFAOYSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN1CCC[C@](C)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001423691166 1173494533 /nfs/dbraw/zinc/49/45/33/1173494533.db2.gz ZCXJHMKONNTXGY-GDBMZVCRSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnn(CCC)c2C)C1 ZINC001424738980 1173893023 /nfs/dbraw/zinc/89/30/23/1173893023.db2.gz ZXKBJYNXIIQCCQ-UHFFFAOYSA-N 0 3 324.856 2.452 20 30 DEEDHN C[C@@H](CNC(=O)c1ccn(C)c1)N(C)Cc1ccc(C#N)cc1 ZINC001424929389 1174037586 /nfs/dbraw/zinc/03/75/86/1174037586.db2.gz KMLFNIULLGHWQH-AWEZNQCLSA-N 0 3 310.401 2.147 20 30 DEEDHN CCc1onc(C)c1CNC[C@H](C1CC1)N(C)C(=O)[C@@H](C)C#N ZINC001425477691 1174333778 /nfs/dbraw/zinc/33/37/78/1174333778.db2.gz IWYUIANCIQUBRO-XHDPSFHLSA-N 0 3 318.421 2.032 20 30 DEEDHN C[C@@H](CN(C)C(=O)C(C)(F)F)NCc1ccc(C#N)c(F)c1 ZINC001425532672 1174354640 /nfs/dbraw/zinc/35/46/40/1174354640.db2.gz UMANDMWKIVCTQG-JTQLQIEISA-N 0 3 313.323 2.289 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC001434468127 1178613628 /nfs/dbraw/zinc/61/36/28/1178613628.db2.gz YZOJNFGGSYTZBE-ROUUACIJSA-N 0 3 300.402 2.483 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C)cc1C#N ZINC001434571390 1178809974 /nfs/dbraw/zinc/80/99/74/1178809974.db2.gz FLEIHLVYASZUQT-AWEZNQCLSA-N 0 3 323.462 2.265 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)COC)C1 ZINC001436472868 1179128052 /nfs/dbraw/zinc/12/80/52/1179128052.db2.gz NEHRPMPVHJNCSY-GXTWGEPZSA-N 0 3 302.846 2.382 20 30 DEEDHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001437162053 1179505616 /nfs/dbraw/zinc/50/56/16/1179505616.db2.gz YMODRWOFFGVHNR-JMSVASOKSA-N 0 3 321.446 2.029 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)CCOc1ccc(Cl)cc1 ZINC001437594436 1179857337 /nfs/dbraw/zinc/85/73/37/1179857337.db2.gz YLIAVPMBCTYHOF-ZDUSSCGKSA-N 0 3 323.824 2.317 20 30 DEEDHN C=C(Cl)CN[C@H](CC)CNC(=O)Cc1[nH]nc2c1CCCC2 ZINC001438309060 1180337731 /nfs/dbraw/zinc/33/77/31/1180337731.db2.gz ZIAJZDYKWOKOPG-GFCCVEGCSA-N 0 3 324.856 2.068 20 30 DEEDHN C=C(Cl)CN[C@H](CC)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001438309060 1180337742 /nfs/dbraw/zinc/33/77/42/1180337742.db2.gz ZIAJZDYKWOKOPG-GFCCVEGCSA-N 0 3 324.856 2.068 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(CC)n(C)n2)CCCC1 ZINC001438398241 1180390826 /nfs/dbraw/zinc/39/08/26/1180390826.db2.gz SGVZDAIVMIDTFN-UHFFFAOYSA-N 0 3 324.856 2.367 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cccc(OC)n2)CCCC1 ZINC001438406165 1180393556 /nfs/dbraw/zinc/39/35/56/1180393556.db2.gz WTDPBXONKKWEOK-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1cncc(C)c1)C(C)C ZINC001438815200 1180821279 /nfs/dbraw/zinc/82/12/79/1180821279.db2.gz RXJRPWJOHFPOSF-HNNXBMFYSA-N 0 3 309.841 2.415 20 30 DEEDHN Cc1conc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439394688 1181069301 /nfs/dbraw/zinc/06/93/01/1181069301.db2.gz WPQFALFRYQCDLG-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN COCCC(=O)N(C)CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001440400455 1181483361 /nfs/dbraw/zinc/48/33/61/1181483361.db2.gz SXUFLUNUKFUBTG-UHFFFAOYSA-N 0 3 321.396 2.014 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C)nn2CC)C1 ZINC001440763495 1181680398 /nfs/dbraw/zinc/68/03/98/1181680398.db2.gz HTOOSDMNTHHVJZ-UHFFFAOYSA-N 0 3 310.829 2.062 20 30 DEEDHN COc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)c1C ZINC001440910688 1181761291 /nfs/dbraw/zinc/76/12/91/1181761291.db2.gz HYKAJPGYFGJFPV-STQMWFEESA-N 0 3 303.406 2.100 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)COC)CCCCC1 ZINC001441110435 1181851060 /nfs/dbraw/zinc/85/10/60/1181851060.db2.gz SUBZACFYZQQKIN-GFCCVEGCSA-N 0 3 302.846 2.430 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(CCCC(C)(C)C)CCO2 ZINC001441218995 1181899134 /nfs/dbraw/zinc/89/91/34/1181899134.db2.gz GRUXFEOQTSYTTC-MAUKXSAKSA-N 0 3 321.465 2.276 20 30 DEEDHN CCCC(=O)N(C)C1CC(NCc2cc(C#N)ccc2OC)C1 ZINC001442230512 1182381250 /nfs/dbraw/zinc/38/12/50/1182381250.db2.gz UXLJXWJNGPAUDE-UHFFFAOYSA-N 0 3 315.417 2.446 20 30 DEEDHN CCC(=O)NC[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC001442773071 1182701578 /nfs/dbraw/zinc/70/15/78/1182701578.db2.gz UWJPOFNPGIHOLA-HNNXBMFYSA-N 0 3 301.390 2.080 20 30 DEEDHN CCCC(=O)NC[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC001442841880 1182741423 /nfs/dbraw/zinc/74/14/23/1182741423.db2.gz XSNRAPTYNMQLOO-HNNXBMFYSA-N 0 3 315.417 2.305 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@@H](C)OC)NCc1ccc(C#N)s1 ZINC001443901815 1183194554 /nfs/dbraw/zinc/19/45/54/1183194554.db2.gz CFHZDFSYVDELRF-NEPJUHHUSA-N 0 3 309.435 2.029 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)CC(C)C ZINC001445324483 1183835275 /nfs/dbraw/zinc/83/52/75/1183835275.db2.gz UBOSNRSKJBMKPV-CYBMUJFWSA-N 0 3 303.406 2.207 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccccn1 ZINC001445511068 1183889949 /nfs/dbraw/zinc/88/99/49/1183889949.db2.gz KLRPSMFAUWKDDV-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CCC(F)F ZINC001445582097 1183917378 /nfs/dbraw/zinc/91/73/78/1183917378.db2.gz LBOAGCCPUXJWHV-VIFPVBQESA-N 0 3 301.362 2.259 20 30 DEEDHN Cc1ccc(CC(=O)NCC2(NCc3ccc(C#N)cc3)CC2)o1 ZINC001446159565 1184253931 /nfs/dbraw/zinc/25/39/31/1184253931.db2.gz ABEDZDHOMAVHNU-UHFFFAOYSA-N 0 3 323.396 2.441 20 30 DEEDHN C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001446942127 1184585177 /nfs/dbraw/zinc/58/51/77/1184585177.db2.gz IMYUJTSUZWQFFB-YPMHNXCESA-N 0 3 308.809 2.442 20 30 DEEDHN COCCC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001447157377 1184655238 /nfs/dbraw/zinc/65/52/38/1184655238.db2.gz LATLIENRNGIOGN-CYBMUJFWSA-N 0 3 321.446 2.127 20 30 DEEDHN Cc1cccnc1CNC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 ZINC001447203095 1184673219 /nfs/dbraw/zinc/67/32/19/1184673219.db2.gz UOVMTIWFBFBHHO-UHFFFAOYSA-N 0 3 323.400 2.032 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1c[nH]nc1-c1ccncc1 ZINC001448885045 1185446451 /nfs/dbraw/zinc/44/64/51/1185446451.db2.gz VKSZYZQIELOGTJ-UHFFFAOYSA-N 0 3 313.405 2.052 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC1(C)CC1 ZINC001406386970 1164563635 /nfs/dbraw/zinc/56/36/35/1164563635.db2.gz QAOUVVLSNFKKKW-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 ZINC001332052014 1149814039 /nfs/dbraw/zinc/81/40/39/1149814039.db2.gz XBLOAFNFPHZXMR-CJNGLKHVSA-N 0 3 320.820 2.182 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CCCOC(C)C)CCC[C@H]12 ZINC001332122091 1149822278 /nfs/dbraw/zinc/82/22/78/1149822278.db2.gz ZYTUYONZLMBSKM-FUHWJXTLSA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCC(C)(C)C ZINC001234267427 782446467 /nfs/dbraw/zinc/44/64/67/782446467.db2.gz ZFVXVACBGFIXKW-HZPDHXFCSA-N 0 3 308.466 2.384 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3n[nH]c4ccc(C)cc43)C2)C1 ZINC001072895056 790292417 /nfs/dbraw/zinc/29/24/17/790292417.db2.gz ZHQDNKBEWWIWGP-UHFFFAOYSA-N 0 3 310.401 2.205 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3coc(-c4ccccn4)n3)C2)C1 ZINC001072896209 790292481 /nfs/dbraw/zinc/29/24/81/790292481.db2.gz BSGCCNYQXPDTOO-UHFFFAOYSA-N 0 3 324.384 2.071 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(OC)cc3C)C2)C1 ZINC001072934605 790310306 /nfs/dbraw/zinc/31/03/06/790310306.db2.gz MFVYNVRDEKXPKP-UHFFFAOYSA-N 0 3 312.413 2.175 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c(Cl)cnn3CC)[C@@H]2C1 ZINC001075831059 779615987 /nfs/dbraw/zinc/61/59/87/779615987.db2.gz GZZHAASPFQUAJV-GXTWGEPZSA-N 0 3 322.840 2.279 20 30 DEEDHN CC(C)(C)OC(=O)NCCCCNCc1cccc(C#N)n1 ZINC001333355064 1150038585 /nfs/dbraw/zinc/03/85/85/1150038585.db2.gz YGXIHYIBAOIYHB-UHFFFAOYSA-N 0 3 304.394 2.348 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)C2(CF)CCC2)CC1 ZINC001333404823 1150046256 /nfs/dbraw/zinc/04/62/56/1150046256.db2.gz DIBCYYIXSSDJFD-UHFFFAOYSA-N 0 3 310.413 2.077 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001123346584 782954520 /nfs/dbraw/zinc/95/45/20/782954520.db2.gz OHHFCWMWQJWJGD-DOTOQJQBSA-N 0 3 311.422 2.012 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001060687768 783045858 /nfs/dbraw/zinc/04/58/58/783045858.db2.gz KXGXCPJIDVHPQB-JYJNAYRXSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncnc3ccsc32)C[C@@H]1C ZINC000947380167 783121987 /nfs/dbraw/zinc/12/19/87/783121987.db2.gz YNMITMQEISGXJI-RYUDHWBXSA-N 0 3 316.430 2.460 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(F)F)ncn2)C[C@H]1C ZINC000947446381 783138295 /nfs/dbraw/zinc/13/82/95/783138295.db2.gz VDNZUUNXRIDKRH-NEPJUHHUSA-N 0 3 322.359 2.020 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CC2CC(OCC)C2)CC(C)(C)C1 ZINC001089472261 783140371 /nfs/dbraw/zinc/14/03/71/783140371.db2.gz FZUOEZLJPTZYQO-AQFXKWCLSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC000947489573 783149416 /nfs/dbraw/zinc/14/94/16/783149416.db2.gz WTWWGGLRGDUPKA-OLZOCXBDSA-N 0 3 302.422 2.057 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2conc2C2CC2)CC(C)(C)C1 ZINC001089487924 783153909 /nfs/dbraw/zinc/15/39/09/783153909.db2.gz QCKZFWQRGJQUOX-AWEZNQCLSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(OC)c2)C[C@H]1C ZINC000947518943 783158669 /nfs/dbraw/zinc/15/86/69/783158669.db2.gz AMWDLNLLFOWPAM-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2nccc3[nH]ccc32)CC(C)(C)C1 ZINC001089495664 783162559 /nfs/dbraw/zinc/16/25/59/783162559.db2.gz YSECJIQRCLBLKH-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnoc2CC)CC(C)(C)C1 ZINC001089508162 783173199 /nfs/dbraw/zinc/17/31/99/783173199.db2.gz VBKMSARFHJKBCQ-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C[C@H]1C ZINC000947561175 783174657 /nfs/dbraw/zinc/17/46/57/783174657.db2.gz XFQVHRYJJDJYOU-IUODEOHRSA-N 0 3 319.474 2.295 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)C[C@H]1C ZINC000947601484 783185196 /nfs/dbraw/zinc/18/51/96/783185196.db2.gz DIKADUJOLACSTA-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(Cl)CN1CCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001073008730 790377134 /nfs/dbraw/zinc/37/71/34/790377134.db2.gz RNRPCXSZENFEHX-UHFFFAOYSA-N 0 3 320.824 2.188 20 30 DEEDHN CC(C)C#CC(=O)NCCC1=CCN(CCOCC2CC2)CC1 ZINC001160062753 790391838 /nfs/dbraw/zinc/39/18/38/790391838.db2.gz XXEMBGQTWZDCCD-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3c(C)[nH]nc3C(C)C)C2)C1 ZINC001073112075 790462881 /nfs/dbraw/zinc/46/28/81/790462881.db2.gz KFHNJGYRJZMFFQ-UHFFFAOYSA-N 0 3 314.433 2.013 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3c(C)n[nH]c3C(C)C)C2)C1 ZINC001073112075 790462884 /nfs/dbraw/zinc/46/28/84/790462884.db2.gz KFHNJGYRJZMFFQ-UHFFFAOYSA-N 0 3 314.433 2.013 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NCC(=O)NCCCC)C1 ZINC001209168516 776674930 /nfs/dbraw/zinc/67/49/30/776674930.db2.gz GBWWOSDTBCLLCG-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001167111505 776687991 /nfs/dbraw/zinc/68/79/91/776687991.db2.gz KNHDYRUGGIFWMV-KBPBESRZSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](O)C1 ZINC001090744445 790474533 /nfs/dbraw/zinc/47/45/33/790474533.db2.gz UXOULEFMZJQRDM-HUUCEWRRSA-N 0 3 308.809 2.081 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cc(CC(C)C)c[nH]3)C2)C1 ZINC001073131802 790476648 /nfs/dbraw/zinc/47/66/48/790476648.db2.gz UOVTUUFKIPUSTK-UHFFFAOYSA-N 0 3 313.445 2.384 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cc(F)c(F)cc1F ZINC001167315612 776890697 /nfs/dbraw/zinc/89/06/97/776890697.db2.gz SDUNREZFPVIECY-UHFFFAOYSA-N 0 3 320.742 2.495 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnnc2ccccc21 ZINC001167315467 776891331 /nfs/dbraw/zinc/89/13/31/776891331.db2.gz LZYJYDPNWDJJIQ-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001090759188 790494198 /nfs/dbraw/zinc/49/41/98/790494198.db2.gz FHBISKUIVWMXKS-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN COc1ccc(CNCCNC(=O)C(F)=C(C)C)cc1C#N ZINC001125592151 777326186 /nfs/dbraw/zinc/32/61/86/777326186.db2.gz BEVZYHFQTPKKET-UHFFFAOYSA-N 0 3 305.353 2.036 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H]3CC[C@H](C)CC3)[C@H]2C1 ZINC001083253888 777427309 /nfs/dbraw/zinc/42/73/09/777427309.db2.gz OVHSLHJATJGKLP-LUKYLMHMSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@@H](C)n2cccn2)CC1 ZINC001167670092 777498985 /nfs/dbraw/zinc/49/89/85/777498985.db2.gz UKHKDTQMKBOSEK-CQSZACIVSA-N 0 3 324.856 2.463 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC1(C)C)C[C@H](C)O2 ZINC001098586666 777693653 /nfs/dbraw/zinc/69/36/53/777693653.db2.gz KMRZTMQPPNQLDT-LSDHHAIUSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(F)nc3)C(C)(C)[C@H]21 ZINC001087275844 777693720 /nfs/dbraw/zinc/69/37/20/777693720.db2.gz NLAQMOYMPNWGNA-BMFZPTHFSA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc[nH]c1CC ZINC001087284672 777725596 /nfs/dbraw/zinc/72/55/96/777725596.db2.gz MBBBHPIXRFQMDG-HYVNUMGLSA-N 0 3 313.445 2.429 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1ccco1 ZINC001087309630 777767077 /nfs/dbraw/zinc/76/70/77/777767077.db2.gz JVSDESBJNBTYCY-HYVNUMGLSA-N 0 3 300.402 2.061 20 30 DEEDHN C[C@@H](NCCNC(=O)c1ccc(C#N)[nH]1)c1cccc(F)c1 ZINC001125818348 777848686 /nfs/dbraw/zinc/84/86/86/777848686.db2.gz FTLDGEQVMGPTSI-LLVKDONJSA-N 0 3 300.337 2.106 20 30 DEEDHN N#Cc1cc2cccnc2nc1-n1nc(CN)c2ccccc21 ZINC001167697765 777889468 /nfs/dbraw/zinc/88/94/68/777889468.db2.gz KRJYCPVGBUHXRC-UHFFFAOYSA-N 0 3 300.325 2.299 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2nccn2C)C1 ZINC001104606637 777963466 /nfs/dbraw/zinc/96/34/66/777963466.db2.gz AHRVBYISQURTGN-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN CC[C@@H](C(=O)N(C)[C@H](C)CNc1cccc(F)c1C#N)N(C)C ZINC001104626437 777976224 /nfs/dbraw/zinc/97/62/24/777976224.db2.gz DYFHNASSSFMXFC-WBMJQRKESA-N 0 3 320.412 2.296 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@@H](O)C1 ZINC001090840724 790592779 /nfs/dbraw/zinc/59/27/79/790592779.db2.gz FDDBGRKIZUNCEC-OMGLFLRBSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001073339741 790605626 /nfs/dbraw/zinc/60/56/26/790605626.db2.gz DRJCGXWIBNMLND-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC(n2cc(CNCCCC)nn2)C1 ZINC001105249173 778399897 /nfs/dbraw/zinc/39/98/97/778399897.db2.gz MSVUJEDHFAUQFR-UHFFFAOYSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)c2ccco2)[C@H](OC)C1 ZINC001213432355 778448182 /nfs/dbraw/zinc/44/81/82/778448182.db2.gz MWIACRPFOZCYFE-SQWLQELKSA-N 0 3 306.406 2.165 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)[C@@H](C)C(C)C)C2)nn1 ZINC001105336960 778474529 /nfs/dbraw/zinc/47/45/29/778474529.db2.gz OJVDTQZGCIJBFP-AWEZNQCLSA-N 0 3 319.453 2.009 20 30 DEEDHN C[C@H](NCCNC(=O)c1c[nH]c(C#N)c1)c1cccc(F)c1 ZINC001125978166 778476814 /nfs/dbraw/zinc/47/68/14/778476814.db2.gz MZUJQINFVSCJLG-NSHDSACASA-N 0 3 300.337 2.106 20 30 DEEDHN N#Cc1cc(C(=O)NCCNCc2cc3ccccc3o2)c[nH]1 ZINC001125988159 778482377 /nfs/dbraw/zinc/48/23/77/778482377.db2.gz NWBYUTOISSINFW-UHFFFAOYSA-N 0 3 308.341 2.152 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(COC)cc3)C2)C1 ZINC001073418341 790645476 /nfs/dbraw/zinc/64/54/76/790645476.db2.gz ZTESBXHEDIXRIB-UHFFFAOYSA-N 0 3 312.413 2.004 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CC(NCc2ccnn2C)C1 ZINC001100364878 778734289 /nfs/dbraw/zinc/73/42/89/778734289.db2.gz YJOQGFSYNWJHDQ-UHFFFAOYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)n(C(C)(C)C)n3)C2)C1 ZINC001073435572 790654709 /nfs/dbraw/zinc/65/47/09/790654709.db2.gz WPSANHRKURKGJZ-UHFFFAOYSA-N 0 3 316.449 2.280 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001073438306 790656929 /nfs/dbraw/zinc/65/69/29/790656929.db2.gz OYZMWKDAYLLWCK-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001225304520 778916699 /nfs/dbraw/zinc/91/66/99/778916699.db2.gz HQVSWPKOWHAJHX-UHFFFAOYSA-N 0 3 304.356 2.426 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 ZINC001073459115 790667968 /nfs/dbraw/zinc/66/79/68/790667968.db2.gz NAWYWOFOGWMOKU-UHFFFAOYSA-N 0 3 314.351 2.439 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cccc(OCC)c3)C2)C1 ZINC001073465464 790673499 /nfs/dbraw/zinc/67/34/99/790673499.db2.gz CBMNPQSYTLMDRT-UHFFFAOYSA-N 0 3 314.429 2.348 20 30 DEEDHN C=CCCC(=O)N1CCC(CNCc2ncc(Cl)n2C)CC1 ZINC001204748298 779166699 /nfs/dbraw/zinc/16/66/99/779166699.db2.gz KFZVMKPZCNCNSU-UHFFFAOYSA-N 0 3 324.856 2.368 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)COCCC)CC1 ZINC001105389401 779258793 /nfs/dbraw/zinc/25/87/93/779258793.db2.gz PFFWXPYHXRCLSC-SFHVURJKSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C)OCC)CC1 ZINC001105389293 779258830 /nfs/dbraw/zinc/25/88/30/779258830.db2.gz MWXAFUSGMUVGKD-WBVHZDCISA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)COC(C)C)CC1 ZINC001105389270 779258901 /nfs/dbraw/zinc/25/89/01/779258901.db2.gz MNWVSWZNFATLQW-GOSISDBHSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ncnc4sccc43)[C@@H]2C1 ZINC001075812096 779348987 /nfs/dbraw/zinc/34/89/87/779348987.db2.gz VEMMFKXTGXAJLS-WCQYABFASA-N 0 3 314.414 2.024 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nn(C)cc2Cl)[C@H]1CC ZINC001087584177 779365607 /nfs/dbraw/zinc/36/56/07/779365607.db2.gz RBUZTOBCYOZZHN-QWHCGFSZSA-N 0 3 310.829 2.232 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C3CC3)cnn2C)[C@H]1CC ZINC001087597237 779371205 /nfs/dbraw/zinc/37/12/05/779371205.db2.gz XHJNBIPCZYSJKG-LSDHHAIUSA-N 0 3 302.422 2.066 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)[C@H]1CC ZINC001087679917 779405473 /nfs/dbraw/zinc/40/54/73/779405473.db2.gz PHQJTAOUIFASCB-FUHWJXTLSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)[C@H]1CC ZINC001087698718 779415047 /nfs/dbraw/zinc/41/50/47/779415047.db2.gz JPVRZTXTFWLEBL-RRFJBIMHSA-N 0 3 318.421 2.030 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)[C@H]1CC ZINC001087801204 779457441 /nfs/dbraw/zinc/45/74/41/779457441.db2.gz CMADOTGAIZKFKI-LSDHHAIUSA-N 0 3 312.417 2.342 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c[nH]c3ncccc23)[C@H]1CC ZINC001087841964 779479253 /nfs/dbraw/zinc/47/92/53/779479253.db2.gz WZNGZCLFOYRDNJ-DLBZAZTESA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C(F)F)nc3)C[C@@H]2C1 ZINC001087987850 779617905 /nfs/dbraw/zinc/61/79/05/779617905.db2.gz FHSUEPGDGPAZLY-KGLIPLIRSA-N 0 3 319.355 2.046 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3csc(Cl)n3)C[C@@H]2C1 ZINC001088162108 779736870 /nfs/dbraw/zinc/73/68/70/779736870.db2.gz BEJOPUSHBMOOFO-NEPJUHHUSA-N 0 3 323.849 2.214 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)n3cccc3)C[C@@H]2C1 ZINC001088175594 779754245 /nfs/dbraw/zinc/75/42/45/779754245.db2.gz DVYZQRLMNSPZSV-KSZLIROESA-N 0 3 313.445 2.243 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3sccc3OC)C[C@@H]2C1 ZINC001088177239 779759419 /nfs/dbraw/zinc/75/94/19/779759419.db2.gz LQRPBPPFWWUAPI-KGLIPLIRSA-N 0 3 318.442 2.174 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC001088231091 779786002 /nfs/dbraw/zinc/78/60/02/779786002.db2.gz IBIWNLRTKCCPGR-OOFWQKGWSA-N 0 3 318.461 2.468 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001088231825 779787457 /nfs/dbraw/zinc/78/74/57/779787457.db2.gz BIGOGOROECQQGN-BDSVNUEJSA-N 0 3 318.461 2.305 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C(F)(F)F ZINC001112187964 779892291 /nfs/dbraw/zinc/89/22/91/779892291.db2.gz IMPLOUJSHLIBJA-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN Cc1cc(CN[C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)sn1 ZINC001088281369 779903116 /nfs/dbraw/zinc/90/31/16/779903116.db2.gz LXQYFZRIOCNBFS-OCCSQVGLSA-N 0 3 320.462 2.472 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCO[C@@H](C)C1 ZINC001168128355 780181498 /nfs/dbraw/zinc/18/14/98/780181498.db2.gz PRPZUAKOBJGYHO-SQWLQELKSA-N 0 3 305.422 2.089 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C[C@@H](C)C2CC2)C[C@H]1C(F)(F)F ZINC001112212305 780292341 /nfs/dbraw/zinc/29/23/41/780292341.db2.gz YHOQHXAYCALKSZ-MRVWCRGKSA-N 0 3 316.367 2.425 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001091004838 790797830 /nfs/dbraw/zinc/79/78/30/790797830.db2.gz QCLGIJTYOLZWRR-ROKHWSDSSA-N 0 3 300.830 2.040 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cnc(C)s2)[C@H](OC)C1 ZINC001211983780 780561363 /nfs/dbraw/zinc/56/13/63/780561363.db2.gz NERHBARTGXJNRS-MRVWCRGKSA-N 0 3 323.462 2.235 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2CN(C)C)[C@H]1C ZINC001088600181 780570953 /nfs/dbraw/zinc/57/09/53/780570953.db2.gz ADPNZHYPVRAMBE-HIFRSBDPSA-N 0 3 319.474 2.026 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cncc(Cl)c2C)[C@H]1C ZINC001088637635 780672100 /nfs/dbraw/zinc/67/21/00/780672100.db2.gz STSUEIYPBRQWDQ-DOMZBBRYSA-N 0 3 305.809 2.259 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001059979460 780788454 /nfs/dbraw/zinc/78/84/54/780788454.db2.gz VNRNWJFVXHUIHC-HOTGVXAUSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C(F)F)ncn3)[C@@H]2C1 ZINC001075945962 780836264 /nfs/dbraw/zinc/83/62/64/780836264.db2.gz MIWOIVKEZPLZCF-SMDDNHRTSA-N 0 3 322.359 2.137 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1nccs1)C[C@@H](C)O2 ZINC001098652960 780912283 /nfs/dbraw/zinc/91/22/83/780912283.db2.gz IKRPDGODAMQZMC-CYBMUJFWSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3ccccc3O2)[C@H]1C ZINC001088721120 780915188 /nfs/dbraw/zinc/91/51/88/780915188.db2.gz BZHZTCBNJYMXJE-UKPHBRMFSA-N 0 3 300.402 2.145 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)[C@H]1C ZINC001088750960 780936336 /nfs/dbraw/zinc/93/63/36/780936336.db2.gz SJEMMBMWSWELIS-YPMHNXCESA-N 0 3 315.373 2.302 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3coc(CC4CC4)n3)[C@@H]2C1 ZINC001076413077 781254720 /nfs/dbraw/zinc/25/47/20/781254720.db2.gz IYIISJWOJNUWSL-GOEBONIOSA-N 0 3 315.417 2.350 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3ccccc3OC)[C@@H]2C1 ZINC001076541604 781305038 /nfs/dbraw/zinc/30/50/38/781305038.db2.gz JESOMWMEDNIOEQ-DLBZAZTESA-N 0 3 314.429 2.347 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cn4c(cccc4C)n3)[C@@H]2C1 ZINC001076551215 781306798 /nfs/dbraw/zinc/30/67/98/781306798.db2.gz SEKBGQOEFRRVQK-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076575395 781315384 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C#CCN1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C ZINC000947967424 783279027 /nfs/dbraw/zinc/27/90/27/783279027.db2.gz OUEVSBPOIHCJES-HOCLYGCPSA-N 0 3 309.413 2.313 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000947986532 783284991 /nfs/dbraw/zinc/28/49/91/783284991.db2.gz XXKNLULXDGKKGY-XJKSGUPXSA-N 0 3 304.821 2.485 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2F)C[C@@H]1C ZINC000947989444 783286881 /nfs/dbraw/zinc/28/68/81/783286881.db2.gz KGQPNVUMBYYDCR-HOCLYGCPSA-N 0 3 302.393 2.361 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)C[C@H]1C ZINC000948017666 783294381 /nfs/dbraw/zinc/29/43/81/783294381.db2.gz WLODUCLGONONDS-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000948384307 783447196 /nfs/dbraw/zinc/44/71/96/783447196.db2.gz AIKSSYANVLMGIZ-BZSNNMDCSA-N 0 3 320.477 2.384 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000948433060 783464691 /nfs/dbraw/zinc/46/46/91/783464691.db2.gz 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C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001073998769 791005698 /nfs/dbraw/zinc/00/56/98/791005698.db2.gz DDASPKMGWCEAAB-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC000968018542 784203352 /nfs/dbraw/zinc/20/33/52/784203352.db2.gz SSWYOEAGCQUHJE-CJNGLKHVSA-N 0 3 305.397 2.166 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001085917244 784209288 /nfs/dbraw/zinc/20/92/88/784209288.db2.gz UWOZIBVOFDSUCM-OAHLLOKOSA-N 0 3 315.417 2.203 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(OC)cccc1OC ZINC001085944650 784241871 /nfs/dbraw/zinc/24/18/71/784241871.db2.gz OVJQTXSZLOPVMY-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)/C=C/C3CC3)C2)ccc1F ZINC000968316964 784282176 /nfs/dbraw/zinc/28/21/76/784282176.db2.gz QZSBDZIHTNUGFX-MQDFFIGUSA-N 0 3 313.376 2.354 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC000968382473 784345369 /nfs/dbraw/zinc/34/53/69/784345369.db2.gz 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/nfs/dbraw/zinc/00/41/63/785004163.db2.gz ILCHVSFCOQIDIU-UHFFFAOYSA-N 0 3 300.761 2.296 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001007944935 785054643 /nfs/dbraw/zinc/05/46/43/785054643.db2.gz UUESQVORUBBMFZ-INIZCTEOSA-N 0 3 310.401 2.400 20 30 DEEDHN N#Cc1c(Cl)cc(Br)cc1-n1nncc1CN ZINC001169310294 785139866 /nfs/dbraw/zinc/13/98/66/785139866.db2.gz UQXFJZFJIUEMMJ-UHFFFAOYSA-N 0 3 312.558 2.014 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001008344701 785179109 /nfs/dbraw/zinc/17/91/09/785179109.db2.gz SWAOFWWYPDDHML-AWEZNQCLSA-N 0 3 306.356 2.111 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001008491304 785222359 /nfs/dbraw/zinc/22/23/59/785222359.db2.gz ZTQDOAXUYBSHMJ-QWHCGFSZSA-N 0 3 322.840 2.163 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001008531151 785230941 /nfs/dbraw/zinc/23/09/41/785230941.db2.gz DPKIVDIQLBWMIU-AWEZNQCLSA-N 0 3 307.825 2.434 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001008673182 785270111 /nfs/dbraw/zinc/27/01/11/785270111.db2.gz UAHQYIMDRBUKGY-OAHLLOKOSA-N 0 3 300.402 2.221 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001008782373 785302784 /nfs/dbraw/zinc/30/27/84/785302784.db2.gz AXLPLGQXIZBWHE-GDAAHCPNSA-N 0 3 308.425 2.176 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1cc(C)n(C)n1 ZINC001169705896 785316418 /nfs/dbraw/zinc/31/64/18/785316418.db2.gz NZBWKVJHGYAWKJ-CQSZACIVSA-N 0 3 306.454 2.459 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CCCCN[C@H](C)c1nncn1C ZINC001169706500 785317773 /nfs/dbraw/zinc/31/77/73/785317773.db2.gz SHBNHIHCEOOEMU-ZIAGYGMSSA-N 0 3 307.442 2.107 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001008878676 785321294 /nfs/dbraw/zinc/32/12/94/785321294.db2.gz YLEWJBXUDHQTJB-RHSMWYFYSA-N 0 3 312.413 2.228 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H]1C[C@]1(C)CC ZINC001169754065 785350094 /nfs/dbraw/zinc/35/00/94/785350094.db2.gz LREQVSBROPWXNR-YPMHNXCESA-N 0 3 303.244 2.427 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001091366407 791117929 /nfs/dbraw/zinc/11/79/29/791117929.db2.gz SLQVTWICWOYTRV-UHFFFAOYSA-N 0 3 324.856 2.394 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001108907744 785617917 /nfs/dbraw/zinc/61/79/17/785617917.db2.gz NXJFMEXNAAQIAF-NCOADZHNSA-N 0 3 304.434 2.267 20 30 DEEDHN C=CCC[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnns1)C2 ZINC001108980105 785657505 /nfs/dbraw/zinc/65/75/05/785657505.db2.gz RBFFPQHWRVFMIK-NDBYEHHHSA-N 0 3 306.435 2.228 20 30 DEEDHN Cc1ccccc1CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010456061 785809712 /nfs/dbraw/zinc/80/97/12/785809712.db2.gz COEPKHLGQRKYRV-MRXNPFEDSA-N 0 3 308.385 2.199 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CCOCC1)C2 ZINC001109720178 785998183 /nfs/dbraw/zinc/99/81/83/785998183.db2.gz WFFJVDLLECDBTC-ILXRZTDVSA-N 0 3 310.413 2.050 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001086532749 786117348 /nfs/dbraw/zinc/11/73/48/786117348.db2.gz HTNMAAMTAUOWKV-HAQNSBGRSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCCCC)C2 ZINC001110036724 786137023 /nfs/dbraw/zinc/13/70/23/786137023.db2.gz QYWQUOIGMMAUOQ-IKGGRYGDSA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCCCCC(=O)N1CCN(C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001112774479 786218851 /nfs/dbraw/zinc/21/88/51/786218851.db2.gz YZJWNHPWRNQBCU-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCN(CC2CCCCCC2)CC1 ZINC001112846538 786251823 /nfs/dbraw/zinc/25/18/23/786251823.db2.gz RDIXHQHSOFBSLW-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCCN1CCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC001113256387 786483829 /nfs/dbraw/zinc/48/38/29/786483829.db2.gz DYBVNZNWTVZWMP-ZBFHGGJFSA-N 0 3 316.449 2.186 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001014607291 786658757 /nfs/dbraw/zinc/65/87/57/786658757.db2.gz BEFSMJJXIVXFSP-AWEZNQCLSA-N 0 3 302.422 2.378 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001014616430 786663026 /nfs/dbraw/zinc/66/30/26/786663026.db2.gz HFCJBOXHEWSMLV-HNNXBMFYSA-N 0 3 316.449 2.082 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCc2nc(C)no2)CC1 ZINC001113630332 786737125 /nfs/dbraw/zinc/73/71/25/786737125.db2.gz AWWYILRTVLTJEJ-CQSZACIVSA-N 0 3 320.437 2.200 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCO[C@H](CC)C1 ZINC001170224740 786869266 /nfs/dbraw/zinc/86/92/66/786869266.db2.gz VSTYNXQPYATLTH-BFYDXBDKSA-N 0 3 319.449 2.480 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001015150487 786916375 /nfs/dbraw/zinc/91/63/75/786916375.db2.gz UDSJZKUTDXGOQT-OAHLLOKOSA-N 0 3 314.433 2.062 20 30 DEEDHN CCOC(=O)[C@@H](C#N)Nc1ccc([C@H]2CCCCN2C)cn1 ZINC001170369462 786924934 /nfs/dbraw/zinc/92/49/34/786924934.db2.gz VKLRYNHCXVLSLT-ZIAGYGMSSA-N 0 3 302.378 2.106 20 30 DEEDHN CC(C)n1ccc(CNCCCNC(=O)C#CC(C)(C)C)n1 ZINC001157727123 786931709 /nfs/dbraw/zinc/93/17/09/786931709.db2.gz DNMWITRUGNMRJY-UHFFFAOYSA-N 0 3 304.438 2.109 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015243061 786956314 /nfs/dbraw/zinc/95/63/14/786956314.db2.gz OHAVEBMCWJCXCM-HNNXBMFYSA-N 0 3 304.821 2.405 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001015317274 786998816 /nfs/dbraw/zinc/99/88/16/786998816.db2.gz FFQHBKVOJVBPBP-HNNXBMFYSA-N 0 3 307.397 2.371 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001015721712 787198608 /nfs/dbraw/zinc/19/86/08/787198608.db2.gz NMDWCTQEEIJEGI-ZACQAIPSSA-N 0 3 304.434 2.268 20 30 DEEDHN C=CCn1cccc1C(=O)NCCNCc1ccc(F)cc1 ZINC001129502375 787219858 /nfs/dbraw/zinc/21/98/58/787219858.db2.gz CXHSDJJVJGFZKG-UHFFFAOYSA-N 0 3 301.365 2.333 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001170452622 787222049 /nfs/dbraw/zinc/22/20/49/787222049.db2.gz AIBYOKAUGMTHTP-CXAGYDPISA-N 0 3 323.437 2.075 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CCOCC2)C1 ZINC001086630351 787296847 /nfs/dbraw/zinc/29/68/47/787296847.db2.gz WMCJUIRGBOCITL-GXTWGEPZSA-N 0 3 300.830 2.040 20 30 DEEDHN CCc1cnccc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001130607735 787443849 /nfs/dbraw/zinc/44/38/49/787443849.db2.gz LKXPFTONSANWDL-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1F)C2 ZINC001096061286 787482243 /nfs/dbraw/zinc/48/22/43/787482243.db2.gz MIOBILHOOUXIFJ-COXVUDFISA-N 0 3 300.377 2.493 20 30 DEEDHN CCOC(=O)C1=C(Nc2ccc(C#N)c3[nH]ccc32)CCNC1 ZINC001170521289 787496823 /nfs/dbraw/zinc/49/68/23/787496823.db2.gz TVADLJSAEHEEPL-UHFFFAOYSA-N 0 3 310.357 2.262 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001086657553 787547107 /nfs/dbraw/zinc/54/71/07/787547107.db2.gz SVRUCTMHGDPCMG-MELADBBJSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3ccccc13)C2 ZINC001096187562 787567060 /nfs/dbraw/zinc/56/70/60/787567060.db2.gz MUBFPYXLEQYDDE-KMFMINBZSA-N 0 3 310.401 2.246 20 30 DEEDHN C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001096350186 787628381 /nfs/dbraw/zinc/62/83/81/787628381.db2.gz YDZAUVZTYMCVLL-AGIUHOORSA-N 0 3 322.840 2.161 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@H](C)F)nc1 ZINC001096379581 787642850 /nfs/dbraw/zinc/64/28/50/787642850.db2.gz SPSLSFPGGSEJDR-YVVXQTMVSA-N 0 3 315.392 2.146 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)COC(C)(C)C)C[C@H](C)O2 ZINC001131650455 787671458 /nfs/dbraw/zinc/67/14/58/787671458.db2.gz UVPIGMZUELJAOV-YJBOKZPZSA-N 0 3 324.465 2.069 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@]2(CCN(CCCF)C2)O1 ZINC001131657019 787679425 /nfs/dbraw/zinc/67/94/25/787679425.db2.gz CQEMIWMJBJMUHW-YJBOKZPZSA-N 0 3 324.440 2.087 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)cc(F)c1)C2 ZINC001096491907 787699406 /nfs/dbraw/zinc/69/94/06/787699406.db2.gz OMUGIVAJINBDDH-PMPSAXMXSA-N 0 3 304.340 2.323 20 30 DEEDHN C=CCCCN1C[C@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001131779553 787735601 /nfs/dbraw/zinc/73/56/01/787735601.db2.gz GOIDVDPJQJOAPR-WCQYABFASA-N 0 3 308.451 2.395 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccc(C)n2C)CC[C@@H]1C ZINC001131796333 787741473 /nfs/dbraw/zinc/74/14/73/787741473.db2.gz FEEMIFRJNMHQAU-HOTGVXAUSA-N 0 3 319.449 2.119 20 30 DEEDHN C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1CCCCCF ZINC001131828972 787763587 /nfs/dbraw/zinc/76/35/87/787763587.db2.gz BFRLZUSXDOCKCO-UONOGXRCSA-N 0 3 315.458 2.352 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)c1ccccc1 ZINC001111436328 787803187 /nfs/dbraw/zinc/80/31/87/787803187.db2.gz BPIVUUDFYBTVSJ-TVFCKZIOSA-N 0 3 314.429 2.060 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC=C)C1 ZINC001131976774 787848974 /nfs/dbraw/zinc/84/89/74/787848974.db2.gz OFILXROKVFVVKZ-SJORKVTESA-N 0 3 306.450 2.352 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cnn(C)c2C)CC[C@H]1C ZINC001132069199 787914301 /nfs/dbraw/zinc/91/43/01/787914301.db2.gz QOBJBFTVUPKXFR-PBHICJAKSA-N 0 3 318.465 2.206 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)CC[C@@H]1C ZINC001132127876 787939550 /nfs/dbraw/zinc/93/95/50/787939550.db2.gz FRRLWPAXCUWYDM-HOTGVXAUSA-N 0 3 319.449 2.417 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2cncc(C)c2)CC[C@@H]1C ZINC001132168399 787950492 /nfs/dbraw/zinc/95/04/92/787950492.db2.gz CBWIJYXPIINEHG-DOTOQJQBSA-N 0 3 301.434 2.478 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccnc(C)n2)CC[C@H]1C ZINC001132199446 787971166 /nfs/dbraw/zinc/97/11/66/787971166.db2.gz IMXQVBOZJBQYLI-RHSMWYFYSA-N 0 3 316.449 2.263 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(CCn2cccn2)C1 ZINC001132217596 787976492 /nfs/dbraw/zinc/97/64/92/787976492.db2.gz DNCWLWNXFSIFCD-JKSUJKDBSA-N 0 3 318.465 2.455 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cccnc2C)CC[C@H]1C ZINC001132248911 787986496 /nfs/dbraw/zinc/98/64/96/787986496.db2.gz KJOSYDYNPHQJDY-ZBFHGGJFSA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COc2cccnc2)CC[C@H]1C ZINC001132358477 788045478 /nfs/dbraw/zinc/04/54/78/788045478.db2.gz DKHLIMBXPOKSRL-HUUCEWRRSA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCOC2CCOCC2)CC[C@@H]1C ZINC001132417086 788066626 /nfs/dbraw/zinc/06/66/26/788066626.db2.gz RLCMDODLYOSTNO-JKSUJKDBSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3ncn(C)c31)C2 ZINC001097370255 788076564 /nfs/dbraw/zinc/07/65/64/788076564.db2.gz ZGEFKPQIHNWDJB-XYPHTWIQSA-N 0 3 324.428 2.485 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccccc2C)CC[C@@H]1C ZINC001132458300 788076982 /nfs/dbraw/zinc/07/69/82/788076982.db2.gz SUQZEKIBIPUUSH-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cn1C)C2 ZINC001097490988 788117880 /nfs/dbraw/zinc/11/78/80/788117880.db2.gz QCYNZDHAXBSHIO-MCIONIFRSA-N 0 3 305.809 2.037 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001132532306 788122354 /nfs/dbraw/zinc/12/23/54/788122354.db2.gz AWQFHEPTOPJVIT-HOTGVXAUSA-N 0 3 324.465 2.117 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2N(Cc2nccs2)C(=O)CC)CC1 ZINC001132566576 788132324 /nfs/dbraw/zinc/13/23/24/788132324.db2.gz PVPKGHKDNBNUTF-AWEZNQCLSA-N 0 3 317.458 2.369 20 30 DEEDHN C=CCOCC(=O)NCC1CC(NCc2cccc(F)c2F)C1 ZINC001100187021 788134824 /nfs/dbraw/zinc/13/48/24/788134824.db2.gz VXNLGLSGFJVVOV-UHFFFAOYSA-N 0 3 324.371 2.152 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001170626170 788146606 /nfs/dbraw/zinc/14/66/06/788146606.db2.gz KNMQKXURCKIRQZ-UHFFFAOYSA-N 0 3 322.796 2.142 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](C)[C@@H](CNCc2cnc(C)o2)C1 ZINC001132785972 788191926 /nfs/dbraw/zinc/19/19/26/788191926.db2.gz MMGGGCRSVNXDQG-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097851650 788249399 /nfs/dbraw/zinc/24/93/99/788249399.db2.gz HYUNIYGOBHPSBR-BSXFFOKHSA-N 0 3 323.456 2.106 20 30 DEEDHN C=CCCCC(=O)NCCN[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC001133157727 788298506 /nfs/dbraw/zinc/29/85/06/788298506.db2.gz NTUZOCFZYWHBFT-HOTGVXAUSA-N 0 3 323.481 2.228 20 30 DEEDHN C[C@@H](CCCCNCc1nccs1)NC(=O)C#CC1CC1 ZINC001170673984 788335097 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/nfs/dbraw/zinc/48/86/81/788488681.db2.gz VVBLUNGGYGTSEN-UHFFFAOYSA-N 0 3 304.438 2.335 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001086713268 788632398 /nfs/dbraw/zinc/63/23/98/788632398.db2.gz YINCPXDHBJAQQU-QWHCGFSZSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)c1cocn1 ZINC001133941825 788687179 /nfs/dbraw/zinc/68/71/79/788687179.db2.gz DTORLXFHEJKXIF-UWVGGRQHSA-N 0 3 316.199 2.070 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134014593 788721124 /nfs/dbraw/zinc/72/11/24/788721124.db2.gz RIMLMEKVGKVAJX-KBPBESRZSA-N 0 3 323.437 2.339 20 30 DEEDHN Cc1nccnc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134329137 788874722 /nfs/dbraw/zinc/87/47/22/788874722.db2.gz JVNNVRQSKXXLPT-UONOGXRCSA-N 0 3 316.449 2.207 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001098085442 788899814 /nfs/dbraw/zinc/89/98/14/788899814.db2.gz YJWHDFRLSRRRHK-WQVCFCJDSA-N 0 3 310.401 2.474 20 30 DEEDHN 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CC#CCN1C[C@@H]2CN(C(=O)C3(F)CCCCC3)C[C@]2(C)C1 ZINC001092168271 791935432 /nfs/dbraw/zinc/93/54/32/791935432.db2.gz QHLNUDRRYJOFJN-WBVHZDCISA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001098866623 791967584 /nfs/dbraw/zinc/96/75/84/791967584.db2.gz QWUKZALJYIVNIW-YCPHGPKFSA-N 0 3 310.388 2.416 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3ccc(C)s3)C[C@]2(C)C1 ZINC001092298148 791972111 /nfs/dbraw/zinc/97/21/11/791972111.db2.gz PHIRNNWHLNMJCR-PBHICJAKSA-N 0 3 302.443 2.013 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3ccccc3n2)C1 ZINC001098904358 791979647 /nfs/dbraw/zinc/97/96/47/791979647.db2.gz YQWXZGXQYDUCFN-KXBFYZLASA-N 0 3 324.428 2.034 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001098929113 791986976 /nfs/dbraw/zinc/98/69/76/791986976.db2.gz HYVYDQWUKMENBW-WDYCEAGBSA-N 0 3 312.413 2.147 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OCC)no2)C1 ZINC001098947499 791996639 /nfs/dbraw/zinc/99/66/39/791996639.db2.gz GJGQJLKYMXIUIF-GUYCJALGSA-N 0 3 319.405 2.234 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001099001946 792030140 /nfs/dbraw/zinc/03/01/40/792030140.db2.gz OAJOMHJNBJPJOY-FCEWJHQRSA-N 0 3 311.429 2.268 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2noc3c2CCCC3)C1 ZINC001099045822 792056969 /nfs/dbraw/zinc/05/69/69/792056969.db2.gz ACJUCAMIVYNOMK-UGSOOPFHSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc3scnc32)[C@H](C)C1 ZINC001092604250 792081511 /nfs/dbraw/zinc/08/15/11/792081511.db2.gz AYGLHKZBEZESAM-CHWSQXEVSA-N 0 3 313.426 2.227 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ncoc2C2CC2)C1 ZINC001099107569 792096821 /nfs/dbraw/zinc/09/68/21/792096821.db2.gz PIVMXEGQHNFJEZ-KSSFIOAISA-N 0 3 313.401 2.160 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001099117474 792102986 /nfs/dbraw/zinc/10/29/86/792102986.db2.gz QQUABSHQOWQTNT-KXBFYZLASA-N 0 3 311.429 2.111 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)c1cncnc1 ZINC001099198855 792136829 /nfs/dbraw/zinc/13/68/29/792136829.db2.gz GLWMNLQUPLPSMV-GDBMZVCRSA-N 0 3 316.449 2.373 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC001099216286 792142387 /nfs/dbraw/zinc/14/23/87/792142387.db2.gz DYZBCWVIKOTJJW-YNEHKIRRSA-N 0 3 320.355 2.111 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cnn(CC)c1 ZINC001099303745 792164903 /nfs/dbraw/zinc/16/49/03/792164903.db2.gz IGNWIKMMFAOVCP-INIZCTEOSA-N 0 3 318.465 2.238 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2conc2C)C[C@H]1C(F)(F)F ZINC001099300498 792165953 /nfs/dbraw/zinc/16/59/53/792165953.db2.gz JYVYEBJSOXSPEN-VXGBXAGGSA-N 0 3 317.311 2.152 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ncsc2C(C)C)[C@H](C)C1 ZINC001093123777 792241445 /nfs/dbraw/zinc/24/14/45/792241445.db2.gz ZHYMLUCHKRLURG-CHWSQXEVSA-N 0 3 305.447 2.197 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C)SC)CC1 ZINC001093358560 792339657 /nfs/dbraw/zinc/33/96/57/792339657.db2.gz DWGQQYYFMXPFCL-HOCLYGCPSA-N 0 3 320.502 2.464 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@@H](O)C1 ZINC001099916642 792401537 /nfs/dbraw/zinc/40/15/37/792401537.db2.gz QNOAZVWXOGMSED-HOTGVXAUSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001100020583 792447736 /nfs/dbraw/zinc/44/77/36/792447736.db2.gz PSBHJLOAXAUBNK-IRXDYDNUSA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(CC=C)CCCCC2)[C@@H](O)C1 ZINC001100122967 792480230 /nfs/dbraw/zinc/48/02/30/792480230.db2.gz ZVIBIDIHLFVPAY-SJORKVTESA-N 0 3 318.461 2.088 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2ccns2)C1 ZINC001100259625 792548983 /nfs/dbraw/zinc/54/89/83/792548983.db2.gz POANDBHCSDMNFA-UHFFFAOYSA-N 0 3 305.447 2.321 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2c(C)noc2C)C1 ZINC001100563730 792721774 /nfs/dbraw/zinc/72/17/74/792721774.db2.gz UEGHMXPSCZJGDK-UHFFFAOYSA-N 0 3 305.422 2.488 20 30 DEEDHN Cc1cnoc1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100820942 792869240 /nfs/dbraw/zinc/86/92/40/792869240.db2.gz HVPRUYMHPFXKAQ-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccc(CC)o3)CCC[C@@H]12 ZINC001094449643 792929756 /nfs/dbraw/zinc/92/97/56/792929756.db2.gz SOXNTTDEIGGKDL-SJLPKXTDSA-N 0 3 300.402 2.450 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc4ncccc4o3)CCC[C@@H]12 ZINC001094473807 792943923 /nfs/dbraw/zinc/94/39/23/792943923.db2.gz VWFGOGCZDZLGLH-IEBWSBKVSA-N 0 3 323.396 2.435 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001101173090 793052200 /nfs/dbraw/zinc/05/22/00/793052200.db2.gz JJVZMSULNWKOHO-WBVHZDCISA-N 0 3 320.458 2.231 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCc3ccsc3)C[C@]2(C)C1 ZINC001101273362 793094647 /nfs/dbraw/zinc/09/46/47/793094647.db2.gz FTEKSIPADZHNKB-AEFFLSMTSA-N 0 3 316.470 2.484 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc2c(s1)CCOC2 ZINC001171534932 793110630 /nfs/dbraw/zinc/11/06/30/793110630.db2.gz AGGCHEUEXADLFP-UHFFFAOYSA-N 0 3 314.838 2.283 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(F)(F)F)C[C@]2(C)C1 ZINC001101349793 793130165 /nfs/dbraw/zinc/13/01/65/793130165.db2.gz DSIFRSWMKODFDG-GUTXKFCHSA-N 0 3 316.367 2.379 20 30 DEEDHN CCc1cc(C(=O)NCCCNCc2ccccc2C#N)no1 ZINC001171555651 793132204 /nfs/dbraw/zinc/13/22/04/793132204.db2.gz VNBRENLDWKVPRM-UHFFFAOYSA-N 0 3 312.373 2.018 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc(NC(C)=O)c1 ZINC001171731764 793187572 /nfs/dbraw/zinc/18/75/72/793187572.db2.gz ORUIOOKUZVNPAH-UHFFFAOYSA-N 0 3 323.824 2.036 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)c2ccc(C)s2)[C@H](C)C1 ZINC001101680779 793314656 /nfs/dbraw/zinc/31/46/56/793314656.db2.gz DJDARWQBZFISGB-UKRRQHHQSA-N 0 3 320.458 2.004 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(CCC(C)(C)O)CC1 ZINC001172311254 793394037 /nfs/dbraw/zinc/39/40/37/793394037.db2.gz AUYPYMIKHKVSSU-INIZCTEOSA-N 0 3 315.461 2.268 20 30 DEEDHN CC(C)N(C)C(=O)C1=NO[C@@]2(CCN([C@H](C)CCCC#N)C2)C1 ZINC001172495764 793437651 /nfs/dbraw/zinc/43/76/51/793437651.db2.gz UWQLVCQHSGXHEF-PBHICJAKSA-N 0 3 320.437 2.156 20 30 DEEDHN CC(C)(C)OC(=O)CN1CCC(NCC2(C#N)CCCC2)CC1 ZINC001172884439 793526994 /nfs/dbraw/zinc/52/69/94/793526994.db2.gz SCFLKUYGYIOMBB-UHFFFAOYSA-N 0 3 321.465 2.466 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2cc(C)no2)C[C@H]1C ZINC001102225953 793536155 /nfs/dbraw/zinc/53/61/55/793536155.db2.gz BALURGGYFOHWGS-TZMCWYRMSA-N 0 3 305.422 2.379 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccncc2)C[C@H]1C#N ZINC001172969108 793546330 /nfs/dbraw/zinc/54/63/30/793546330.db2.gz VYVIABWMTQPHAY-CABCVRRESA-N 0 3 316.405 2.463 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102262713 793549579 /nfs/dbraw/zinc/54/95/79/793549579.db2.gz JGKVBIMBUJOLMC-BFYDXBDKSA-N 0 3 318.465 2.207 20 30 DEEDHN CC[C@@H](C)CCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102477485 793628099 /nfs/dbraw/zinc/62/80/99/793628099.db2.gz DIQLQYGCJGEWPT-BRWVUGGUSA-N 0 3 308.466 2.147 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H](C)CC(C)C)[C@H](C)C1 ZINC001102485846 793630771 /nfs/dbraw/zinc/63/07/71/793630771.db2.gz GHQOQBRFUAYHGX-BRWVUGGUSA-N 0 3 308.466 2.003 20 30 DEEDHN CC(=O)NCC[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001102627851 793678622 /nfs/dbraw/zinc/67/86/22/793678622.db2.gz TXSHFZFEMTUGHG-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCOC1CCC(N2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC001173325919 793679199 /nfs/dbraw/zinc/67/91/99/793679199.db2.gz SVMDJKDNKPSJHB-SFYZZRBRSA-N 0 3 308.466 2.294 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001102746190 793735874 /nfs/dbraw/zinc/73/58/74/793735874.db2.gz BHPZABJHDVSREH-RBSFLKMASA-N 0 3 300.418 2.011 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)OC)C1 ZINC001102758381 793743072 /nfs/dbraw/zinc/74/30/72/793743072.db2.gz GRKJCQKYWFEEDW-KWCYVHTRSA-N 0 3 302.846 2.238 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC2(F)F)C1 ZINC001102953476 793833236 /nfs/dbraw/zinc/83/32/36/793833236.db2.gz HRRROARIAARMAY-JLLWLGSASA-N 0 3 306.784 2.468 20 30 DEEDHN COCC#CCNCCNC(=O)c1cc2c(cccc2F)s1 ZINC001150479880 794155828 /nfs/dbraw/zinc/15/58/28/794155828.db2.gz RFYUBMSBBWIYIQ-UHFFFAOYSA-N 0 3 320.389 2.010 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C ZINC001104140869 794395184 /nfs/dbraw/zinc/39/51/84/794395184.db2.gz VOZSXAQUFVUMFE-KCPJHIHWSA-N 0 3 314.857 2.238 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2 ZINC001111668571 794451462 /nfs/dbraw/zinc/45/14/62/794451462.db2.gz OOOVRXLEZXUBKN-INWMFGNUSA-N 0 3 303.431 2.378 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001111743831 794465392 /nfs/dbraw/zinc/46/53/92/794465392.db2.gz ANIOTGIOEGNOLF-LNLFQRSKSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCOCC(=O)N[C@@H](C)CCCCNCc1cnc(C)o1 ZINC001176800955 794512901 /nfs/dbraw/zinc/51/29/01/794512901.db2.gz FHLNVKKUTXBCMM-AWEZNQCLSA-N 0 3 323.437 2.340 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001111902729 794521757 /nfs/dbraw/zinc/52/17/57/794521757.db2.gz ORTKZMYNBZRWEZ-BXWFABGCSA-N 0 3 314.429 2.452 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COc2ccsc2)C1 ZINC001111939449 794530357 /nfs/dbraw/zinc/53/03/57/794530357.db2.gz AHEVNUIHMLJGFK-BBRMVZONSA-N 0 3 306.431 2.284 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CCC ZINC001115118511 794682996 /nfs/dbraw/zinc/68/29/96/794682996.db2.gz HCBKEIMRHJMPHT-QLPKVWCKSA-N 0 3 318.417 2.095 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CC(F)(F)C(F)(F)F ZINC001177524554 794688831 /nfs/dbraw/zinc/68/88/31/794688831.db2.gz OXAAEAZVFGTIGU-UHFFFAOYSA-N 0 3 308.678 2.423 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1(NCc2ccns2)CCCCC1 ZINC001115453520 794778642 /nfs/dbraw/zinc/77/86/42/794778642.db2.gz UCGIRFHKKIRXNW-GFCCVEGCSA-N 0 3 306.435 2.211 20 30 DEEDHN C=CCCC(=O)NCCCCCCNCc1cc(C)n(C)n1 ZINC001178008144 794794513 /nfs/dbraw/zinc/79/45/13/794794513.db2.gz SWBCBQWHABRLIO-UHFFFAOYSA-N 0 3 306.454 2.461 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(C)F ZINC001178023510 794814203 /nfs/dbraw/zinc/81/42/03/794814203.db2.gz RDPAPJCCAPJZDU-HOCLYGCPSA-N 0 3 302.393 2.365 20 30 DEEDHN CC(C)N(C)CC(=O)N(C)C[C@H](C)Nc1cccc(F)c1C#N ZINC001115752307 794907424 /nfs/dbraw/zinc/90/74/24/794907424.db2.gz XOGZTRDWIRRWRZ-ZDUSSCGKSA-N 0 3 320.412 2.296 20 30 DEEDHN Cc1ncoc1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178422421 794924280 /nfs/dbraw/zinc/92/42/80/794924280.db2.gz LYHUIPMBSRKTHL-RDJZCZTQSA-N 0 3 323.396 2.227 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC001116619013 794973021 /nfs/dbraw/zinc/97/30/21/794973021.db2.gz GYPPDBOGIZZPKA-SJORKVTESA-N 0 3 319.449 2.352 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](N[C@@H](C)C(=O)NCCC)[C@@H]1C ZINC001178791471 794994852 /nfs/dbraw/zinc/99/48/52/794994852.db2.gz CHSOJXFYSPWLBK-KKUMJFAQSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CC[NH2+]CCCCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001178777754 795005380 /nfs/dbraw/zinc/00/53/80/795005380.db2.gz YVSHQKLUPVRMHO-UHFFFAOYSA-N 0 3 318.421 2.125 20 30 DEEDHN N#Cc1ccc(CCNCc2nc(Br)c[nH]2)cc1 ZINC001179142201 795062512 /nfs/dbraw/zinc/06/25/12/795062512.db2.gz CAAORRJFKJKNTC-UHFFFAOYSA-N 0 3 305.179 2.376 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCCCCN[C@@H](C)c1nncn1C ZINC001179235193 795081835 /nfs/dbraw/zinc/08/18/35/795081835.db2.gz JHFVXSONMGTVKF-AWEZNQCLSA-N 0 3 321.469 2.355 20 30 DEEDHN C=CC[C@H]1NC(=O)N([C@H](C)CN(C)Cc2ccccc2)C1=O ZINC001117565739 795085011 /nfs/dbraw/zinc/08/50/11/795085011.db2.gz FNTHURJHIMAVFD-UKRRQHHQSA-N 0 3 301.390 2.003 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001179384288 795110099 /nfs/dbraw/zinc/11/00/99/795110099.db2.gz IVGLQJCGYUFKSQ-LZWOXQAQSA-N 0 3 304.438 2.101 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001179464264 795119801 /nfs/dbraw/zinc/11/98/01/795119801.db2.gz ZILLAONZYIVAKJ-BBRMVZONSA-N 0 3 302.422 2.220 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001149082062 795212732 /nfs/dbraw/zinc/21/27/32/795212732.db2.gz JZCINGFDIJDUBU-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)Cc1ccc[nH]1 ZINC001180182708 795249129 /nfs/dbraw/zinc/24/91/29/795249129.db2.gz 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/nfs/dbraw/zinc/76/20/55/795762055.db2.gz YSXYBRNJNIBHTO-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN N#C[C@@H]1CC[C@@H](OC(=O)C2CCN(c3ccc(F)cc3)C2=O)C1 ZINC001122639881 795789105 /nfs/dbraw/zinc/78/91/05/795789105.db2.gz PGNJBRLQACUVRF-DFBGVHRSSA-N 0 3 316.332 2.414 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)Cc2cccs2)ccc1F ZINC001122661800 795791808 /nfs/dbraw/zinc/79/18/08/795791808.db2.gz RLYOSHXKNYBSHC-UHFFFAOYSA-N 0 3 317.389 2.207 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3scnc3C)C2)CCC1 ZINC001183185837 795818313 /nfs/dbraw/zinc/81/83/13/795818313.db2.gz WIVDKTJLGPPZAW-CQSZACIVSA-N 0 3 317.458 2.336 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)c(F)c2)c(C)o1 ZINC001123396811 795906447 /nfs/dbraw/zinc/90/64/47/795906447.db2.gz MBVDRPRJEHDEBF-UHFFFAOYSA-N 0 3 315.348 2.427 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(F)c(C#N)c2)c(C)o1 ZINC001123396332 795906604 /nfs/dbraw/zinc/90/66/04/795906604.db2.gz GSWGHECYNBNLCF-UHFFFAOYSA-N 0 3 315.348 2.427 20 30 DEEDHN C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183900345 795952613 /nfs/dbraw/zinc/95/26/13/795952613.db2.gz VPZWSAQIZDTOSO-GJZGRUSLSA-N 0 3 300.402 2.103 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001123860857 795989430 /nfs/dbraw/zinc/98/94/30/795989430.db2.gz GOOUDSQOUURNTF-DLBZAZTESA-N 0 3 306.450 2.249 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2ocnc2C)[C@H](C)C1 ZINC001184312898 796032746 /nfs/dbraw/zinc/03/27/46/796032746.db2.gz VYOWWGZRLJUXLD-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)/C=C/C(C)(C)C ZINC001124930960 796095232 /nfs/dbraw/zinc/09/52/32/796095232.db2.gz SICUKUURVLQSAK-FEAKQIBJSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](CNCc2nccn2C)[C@H](C)C1 ZINC001185063479 796172532 /nfs/dbraw/zinc/17/25/32/796172532.db2.gz ZWFGHTAXULGFPQ-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)COc1ccccc1CN1CCC2(CNC(=O)N2)CC1 ZINC001138666130 796253842 /nfs/dbraw/zinc/25/38/42/796253842.db2.gz JNAFXLHIVNNKHL-UHFFFAOYSA-N 0 3 315.417 2.289 20 30 DEEDHN C=CCOc1ccccc1CN1CCC[C@@]2(CCNC2=O)C1 ZINC001139028584 796311856 /nfs/dbraw/zinc/31/18/56/796311856.db2.gz YCYUFOKMBWVXLU-GOSISDBHSA-N 0 3 300.402 2.354 20 30 DEEDHN Cc1cccnc1CN[C@@H]1C[C@@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202888772 796316294 /nfs/dbraw/zinc/31/62/94/796316294.db2.gz UCLOOYIMLUYPMV-QZTJIDSGSA-N 0 3 323.440 2.320 20 30 DEEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c(C)n[nH]c1C)C2 ZINC001139098065 796322673 /nfs/dbraw/zinc/32/26/73/796322673.db2.gz FRTVTXOWDMSDAE-WBVHZDCISA-N 0 3 305.422 2.353 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001186206356 796378747 /nfs/dbraw/zinc/37/87/47/796378747.db2.gz NNHAWHPTYLZRND-RBSFLKMASA-N 0 3 302.443 2.374 20 30 DEEDHN C=CCOC[C@H]1CCC[C@@]12CN(CC1(CC)COC1)CCO2 ZINC001202949154 796398208 /nfs/dbraw/zinc/39/82/08/796398208.db2.gz LIMQFHDLDQKBIB-SJLPKXTDSA-N 0 3 309.450 2.487 20 30 DEEDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3c[nH]c4c3cccc4C#N)C[C@@H]21 ZINC001139706491 796413690 /nfs/dbraw/zinc/41/36/90/796413690.db2.gz WFCMMDNKIIGCAE-ZSHCYNCHSA-N 0 3 309.369 2.280 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001186693097 796432074 /nfs/dbraw/zinc/43/20/74/796432074.db2.gz BVJDWRULWOSGRC-DOTOQJQBSA-N 0 3 318.392 2.175 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001186818720 796448295 /nfs/dbraw/zinc/44/82/95/796448295.db2.gz FWPQSYPBJUQBEM-SWLSCSKDSA-N 0 3 323.824 2.017 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001187341122 796529162 /nfs/dbraw/zinc/52/91/62/796529162.db2.gz MVJMNMADYBKQAK-YMVOSSCXSA-N 0 3 300.446 2.417 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC001187348560 796529696 /nfs/dbraw/zinc/52/96/96/796529696.db2.gz QNDSTBAUMHVBSC-GOSISDBHSA-N 0 3 314.429 2.264 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2sc(C(C)C)nc2C)C1 ZINC001187805168 796580575 /nfs/dbraw/zinc/58/05/75/796580575.db2.gz UTDPIFSUAFIGCF-CYBMUJFWSA-N 0 3 305.447 2.402 20 30 DEEDHN CC[C@H](F)CN[C@@H]1CCN(C(=O)CC#Cc2ccccc2)C1 ZINC001188032800 796620678 /nfs/dbraw/zinc/62/06/78/796620678.db2.gz AJKHBMWCTBAMJP-DLBZAZTESA-N 0 3 302.393 2.367 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2c(C)nsc2C)C1 ZINC001188287572 796655432 /nfs/dbraw/zinc/65/54/32/796655432.db2.gz OBQJUWYFVPOHGD-CQSZACIVSA-N 0 3 323.462 2.043 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2cccs2)C1 ZINC001188635182 796701326 /nfs/dbraw/zinc/70/13/26/796701326.db2.gz VUNMGFHURDRWRI-AWEZNQCLSA-N 0 3 308.447 2.026 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001189046255 796760057 /nfs/dbraw/zinc/76/00/57/796760057.db2.gz QCRLJHCVBANZRR-JKSUJKDBSA-N 0 3 318.417 2.191 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)C[C@@H]2CCCCO2)C1 ZINC001189744195 796875211 /nfs/dbraw/zinc/87/52/11/796875211.db2.gz OWANBBSADJQGTP-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CN(C[C@@H]2CCCCO2)CCCO1 ZINC001149797449 796896811 /nfs/dbraw/zinc/89/68/11/796896811.db2.gz XAHQIZLYJCACBY-DLBZAZTESA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001189944813 796913192 /nfs/dbraw/zinc/91/31/92/796913192.db2.gz UHVWMKDJOZHIMF-OAHLLOKOSA-N 0 3 306.406 2.245 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001150012307 796913451 /nfs/dbraw/zinc/91/34/51/796913451.db2.gz IHYHXWSDLKJMML-BBWFWOEESA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001189944805 796913624 /nfs/dbraw/zinc/91/36/24/796913624.db2.gz UHVWMKDJOZHIMF-HNNXBMFYSA-N 0 3 306.406 2.245 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](F)c2ccccc2)C1 ZINC001150371828 796938643 /nfs/dbraw/zinc/93/86/43/796938643.db2.gz MQXFMRJZDSOJNC-SJORKVTESA-N 0 3 320.408 2.480 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001150404133 796941513 /nfs/dbraw/zinc/94/15/13/796941513.db2.gz UGFXUWDEVYXVSL-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001150614203 796960917 /nfs/dbraw/zinc/96/09/17/796960917.db2.gz UCCFYMQROJZRSR-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC001190371336 796995912 /nfs/dbraw/zinc/99/59/12/796995912.db2.gz RVOYBAXHLWBCNG-KRWDZBQOSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2oc(=O)ccc2c1 ZINC001151005667 796999839 /nfs/dbraw/zinc/99/98/39/796999839.db2.gz YEMPBVVRVYKFKA-HNNXBMFYSA-N 0 3 312.369 2.173 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2ncoc2CC)CC1 ZINC001151037404 797004081 /nfs/dbraw/zinc/00/40/81/797004081.db2.gz LMJQDWCUNUGPCT-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001190429142 797006936 /nfs/dbraw/zinc/00/69/36/797006936.db2.gz VEOXSFHMHYWTHN-HNNXBMFYSA-N 0 3 324.856 2.426 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2coc(C)n2)CC1 ZINC001151084424 797009984 /nfs/dbraw/zinc/00/99/84/797009984.db2.gz QSUNTPSFXGPKCV-UHFFFAOYSA-N 0 3 321.421 2.160 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001151150573 797017023 /nfs/dbraw/zinc/01/70/23/797017023.db2.gz SNRKQLMPBPDDBJ-HOTGVXAUSA-N 0 3 324.465 2.117 20 30 DEEDHN CC(C)n1cccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001151222838 797022886 /nfs/dbraw/zinc/02/28/86/797022886.db2.gz HGTRQZMCUYCISU-UHFFFAOYSA-N 0 3 310.401 2.460 20 30 DEEDHN CCCCCCCC[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001151848088 797106958 /nfs/dbraw/zinc/10/69/58/797106958.db2.gz DZUNPQPSAIVOLR-HUUCEWRRSA-N 0 3 313.486 2.213 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001190970138 797116684 /nfs/dbraw/zinc/11/66/84/797116684.db2.gz XJHQMAKXNMEQCX-BRWVUGGUSA-N 0 3 308.466 2.474 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001152604208 797211375 /nfs/dbraw/zinc/21/13/75/797211375.db2.gz IYEAHRWFZJQNBM-CQSZACIVSA-N 0 3 308.466 2.145 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)s1 ZINC001152986137 797263888 /nfs/dbraw/zinc/26/38/88/797263888.db2.gz LKAPBZMFZKBQAW-WMKFIOFKSA-N 0 3 315.442 2.118 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)CCCF)C1 ZINC001191799140 797266316 /nfs/dbraw/zinc/26/63/16/797266316.db2.gz JRZNMBANDXMSLV-MRXNPFEDSA-N 0 3 303.381 2.341 20 30 DEEDHN C[C@H](C[C@H]1CCCO1)C(=O)NCCNCc1ccc(C#N)s1 ZINC001153024598 797271124 /nfs/dbraw/zinc/27/11/24/797271124.db2.gz OFLOCECBMMVUKB-CHWSQXEVSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCCOCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001153081415 797282241 /nfs/dbraw/zinc/28/22/41/797282241.db2.gz RKYPBOFBEPYFFA-UHFFFAOYSA-N 0 3 314.788 2.278 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001153135612 797290389 /nfs/dbraw/zinc/29/03/89/797290389.db2.gz VWCGPJADLBOOTK-BDJLRTHQSA-N 0 3 324.371 2.249 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001153306720 797318388 /nfs/dbraw/zinc/31/83/88/797318388.db2.gz PFCZGGKOFDLOKW-KGLIPLIRSA-N 0 3 308.447 2.113 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)CCOC3CCC3)C2)C1 ZINC001192255783 797343897 /nfs/dbraw/zinc/34/38/97/797343897.db2.gz AXEUDYHDDSFIML-OAHLLOKOSA-N 0 3 306.450 2.445 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2cccnc2n1 ZINC001153485177 797344748 /nfs/dbraw/zinc/34/47/48/797344748.db2.gz PSFRNBWAPQDAMS-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCN(C)c2ccccc2)C1 ZINC001192917090 797471638 /nfs/dbraw/zinc/47/16/38/797471638.db2.gz JFKNYJGJQZZKFG-QGZVFWFLSA-N 0 3 301.434 2.232 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001193245296 797530046 /nfs/dbraw/zinc/53/00/46/797530046.db2.gz ZLKMZYWGSWRVIQ-OAHLLOKOSA-N 0 3 312.429 2.394 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1noc2c1CC(C)(C)CC2 ZINC001154444206 797536161 /nfs/dbraw/zinc/53/61/61/797536161.db2.gz YCGNGXDKGVPKLC-CYBMUJFWSA-N 0 3 317.433 2.263 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001193303754 797541233 /nfs/dbraw/zinc/54/12/33/797541233.db2.gz BGLNTXWDOSJICJ-ZIAGYGMSSA-N 0 3 308.447 2.106 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001193775039 797619254 /nfs/dbraw/zinc/61/92/54/797619254.db2.gz YYLFPLJEBPSJGL-HFBAOOFYSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCOC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1OC ZINC001194349297 797711953 /nfs/dbraw/zinc/71/19/53/797711953.db2.gz HQWFENQAIYRGQV-HZPDHXFCSA-N 0 3 304.390 2.188 20 30 DEEDHN C[C@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1C#N ZINC001155254572 797718356 /nfs/dbraw/zinc/71/83/56/797718356.db2.gz MWHALYWTKWWNLT-VIFPVBQESA-N 0 3 308.301 2.220 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001194397752 797721853 /nfs/dbraw/zinc/72/18/53/797721853.db2.gz ZBMKJZUKTKGZFM-YOEHRIQHSA-N 0 3 320.408 2.450 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1[nH]nc2cccc(F)c21 ZINC001155290139 797726752 /nfs/dbraw/zinc/72/67/52/797726752.db2.gz IOEQKKUQEXWTGQ-NSHDSACASA-N 0 3 302.353 2.082 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001194545274 797742836 /nfs/dbraw/zinc/74/28/36/797742836.db2.gz OUEPMNYWVOLTHQ-QZTJIDSGSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)SC)C2 ZINC001110460626 797757798 /nfs/dbraw/zinc/75/77/98/797757798.db2.gz 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/nfs/dbraw/zinc/84/50/18/797845018.db2.gz ZCFBOOHKHMAJTJ-MRXNPFEDSA-N 0 3 316.445 2.225 20 30 DEEDHN N#Cc1cc(Cl)cc(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001155824179 797856572 /nfs/dbraw/zinc/85/65/72/797856572.db2.gz LDENQDZQGSNVBM-DZGCQCFKSA-N 0 3 306.797 2.320 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCOc2ccccc21 ZINC001155856474 797868038 /nfs/dbraw/zinc/86/80/38/797868038.db2.gz KGMUZXPGXMBXDE-ZBFHGGJFSA-N 0 3 300.402 2.013 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(-n2cccc2)nc1 ZINC001155924939 797882864 /nfs/dbraw/zinc/88/28/64/797882864.db2.gz YXRFHJCTQAGTHD-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCc2ccsc2)C[C@H]1C ZINC001206659887 797932695 /nfs/dbraw/zinc/93/26/95/797932695.db2.gz SUZNFDSQAOMTKS-GZBFAFLISA-N 0 3 305.447 2.277 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCCN(CC/C=C\CCC)CC1 ZINC001195792099 797962940 /nfs/dbraw/zinc/96/29/40/797962940.db2.gz OHFUPRMNWKLFDI-ZPUOCTKUSA-N 0 3 306.450 2.305 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn(CCC)c1C1CC1 ZINC001156283403 797965725 /nfs/dbraw/zinc/96/57/25/797965725.db2.gz QMXXESNSZZVBLV-CQSZACIVSA-N 0 3 316.449 2.244 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)CCC1 ZINC001195940145 797981247 /nfs/dbraw/zinc/98/12/47/797981247.db2.gz PSZXCIIWMFDTGJ-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001156403906 797993637 /nfs/dbraw/zinc/99/36/37/797993637.db2.gz SJKWLXBDVPIUOS-QAPCUYQASA-N 0 3 314.429 2.148 20 30 DEEDHN N#CCc1cncc(-n2cncc2CNCc2ccccc2)n1 ZINC001156496576 798015720 /nfs/dbraw/zinc/01/57/20/798015720.db2.gz NPEMYDRHMAXCCL-UHFFFAOYSA-N 0 3 304.357 2.018 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001196446266 798054848 /nfs/dbraw/zinc/05/48/48/798054848.db2.gz POKKBAUJSUVYKY-ARFHVFGLSA-N 0 3 308.466 2.308 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc(OCC)no2)CC1 ZINC001196523381 798067389 /nfs/dbraw/zinc/06/73/89/798067389.db2.gz RMBAQVUMGXYQNQ-UHFFFAOYSA-N 0 3 307.394 2.187 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1c(C)cc(C)cc1C ZINC001156746518 798075840 /nfs/dbraw/zinc/07/58/40/798075840.db2.gz RDHZCFUEBDFYDF-QGZVFWFLSA-N 0 3 316.445 2.450 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)CCc1cccs1 ZINC001156808110 798085548 /nfs/dbraw/zinc/08/55/48/798085548.db2.gz OIPSJBZIHMHFIW-OAHLLOKOSA-N 0 3 322.474 2.157 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCNC(=O)C(C)(C)C)CC1 ZINC001196704781 798093661 /nfs/dbraw/zinc/09/36/61/798093661.db2.gz GMVQUWNBJGWKSD-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2n[nH]nc2C)CC1 ZINC001196710548 798094458 /nfs/dbraw/zinc/09/44/58/798094458.db2.gz LLYROFLTNFHJBV-UHFFFAOYSA-N 0 3 305.426 2.007 20 30 DEEDHN C#CCCCCCC(=O)N1CCCN(CCC[C@H](C)O)CC1 ZINC001196771216 798107726 /nfs/dbraw/zinc/10/77/26/798107726.db2.gz USCOFVVUCHCUAP-KRWDZBQOSA-N 0 3 308.466 2.265 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](OCC)c1ccccc1 ZINC001157241311 798169102 /nfs/dbraw/zinc/16/91/02/798169102.db2.gz GJPCPMAUQTZPKW-WBVHZDCISA-N 0 3 302.418 2.224 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1CC(C)(C)C1 ZINC001157413845 798201228 /nfs/dbraw/zinc/20/12/28/798201228.db2.gz ASNOOTXJAXAKCK-UHFFFAOYSA-N 0 3 303.244 2.427 20 30 DEEDHN C=CCCOCCCCC(=O)NCCCNCc1ocnc1C ZINC001157932257 798307958 /nfs/dbraw/zinc/30/79/58/798307958.db2.gz LEELQTWRNOJFGH-UHFFFAOYSA-N 0 3 323.437 2.342 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(OCC)no1 ZINC001158228293 798364078 /nfs/dbraw/zinc/36/40/78/798364078.db2.gz YLEVXMWZFIBSFR-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H](C)COC)c1ccccc1OC ZINC001198605363 798364756 /nfs/dbraw/zinc/36/47/56/798364756.db2.gz GDGDWIQZTOAMOU-GDBMZVCRSA-N 0 3 320.433 2.301 20 30 DEEDHN C=CCOCC(=O)NC[C@H](NCC(C)C)c1ccccc1OC ZINC001198606034 798366561 /nfs/dbraw/zinc/36/65/61/798366561.db2.gz OKPQVZPKNZRXFR-INIZCTEOSA-N 0 3 320.433 2.301 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)COC(C)C)c1ccccc1OC ZINC001198584519 798369026 /nfs/dbraw/zinc/36/90/26/798369026.db2.gz JFCJNSKHOVMGRY-INIZCTEOSA-N 0 3 320.433 2.443 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)[C@H](C)C#N)NCCC1CC1 ZINC001198618322 798376387 /nfs/dbraw/zinc/37/63/87/798376387.db2.gz YGMUHTQCHMEXBB-CJNGLKHVSA-N 0 3 315.417 2.402 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198695217 798377277 /nfs/dbraw/zinc/37/72/77/798377277.db2.gz OTRYAXOKJXXLHZ-MAUKXSAKSA-N 0 3 320.433 2.179 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1c(C)nn(C)c1C ZINC001158296745 798379133 /nfs/dbraw/zinc/37/91/33/798379133.db2.gz SOGRSQHVHVBLRV-MRXNPFEDSA-N 0 3 318.465 2.078 20 30 DEEDHN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1-n1nncc1CN ZINC001158427369 798405379 /nfs/dbraw/zinc/40/53/79/798405379.db2.gz RMVYRIUKQSDEBI-UHFFFAOYSA-N 0 3 320.690 2.077 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001198939943 798417596 /nfs/dbraw/zinc/41/75/96/798417596.db2.gz IVURCRBEEKTKFJ-CGTJXYLNSA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCO[C@H](C)C(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001199001984 798428269 /nfs/dbraw/zinc/42/82/69/798428269.db2.gz NPUQFCDOGMNRMT-ZBFHGGJFSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1ccn(CC)n1 ZINC001158747113 798462179 /nfs/dbraw/zinc/46/21/79/798462179.db2.gz VKGQBASDZWNDHR-UHFFFAOYSA-N 0 3 304.438 2.267 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCNCc1cc(C)n(C)n1 ZINC001158746936 798462345 /nfs/dbraw/zinc/46/23/45/798462345.db2.gz NHCNIDQJEGGIMS-UHFFFAOYSA-N 0 3 304.438 2.093 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCC(=O)NCCC ZINC001158781784 798468580 /nfs/dbraw/zinc/46/85/80/798468580.db2.gz RXWGPGUNAWWNPV-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1cnn(C)c1 ZINC001158976450 798498342 /nfs/dbraw/zinc/49/83/42/798498342.db2.gz CIVVFRDQUYUASF-GDBMZVCRSA-N 0 3 304.438 2.023 20 30 DEEDHN CO[C@@H](C)CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199718856 798525725 /nfs/dbraw/zinc/52/57/25/798525725.db2.gz YFSRUWPOVXQQOQ-AWEZNQCLSA-N 0 3 315.417 2.064 20 30 DEEDHN CO[C@H](C)CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001199718857 798525944 /nfs/dbraw/zinc/52/59/44/798525944.db2.gz YFSRUWPOVXQQOQ-CQSZACIVSA-N 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NWCNXKRMVNAGRV-UHFFFAOYSA-N 0 3 318.490 2.297 20 30 DEEDHN C#CCCCC(=O)N1CCCO[C@H](CNCc2ccsc2)C1 ZINC001200404517 798623136 /nfs/dbraw/zinc/62/31/36/798623136.db2.gz LWXVZDNNVIQPEI-MRXNPFEDSA-N 0 3 320.458 2.259 20 30 DEEDHN S=C(NCCCCCCS)NCCN1CCCCC1 ZINC001200445682 798630437 /nfs/dbraw/zinc/63/04/37/798630437.db2.gz UMYOUHLWXJTXFC-UHFFFAOYSA-N 0 3 303.541 2.427 20 30 DEEDHN Cc1cccnc1CN1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001160081801 798646053 /nfs/dbraw/zinc/64/60/53/798646053.db2.gz VUALBRQXWQQAIF-UHFFFAOYSA-N 0 3 323.440 2.442 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC)cc1 ZINC001110554301 798655740 /nfs/dbraw/zinc/65/57/40/798655740.db2.gz BGJBTUFMVNIYIQ-NXHRZFHOSA-N 0 3 312.413 2.444 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@H](CNC[C@H](F)CC)C2)CCC1 ZINC001200680444 798664802 /nfs/dbraw/zinc/66/48/02/798664802.db2.gz PCINALNDPIHGDL-HZPDHXFCSA-N 0 3 324.440 2.135 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001160296261 798672446 /nfs/dbraw/zinc/67/24/46/798672446.db2.gz FDOWABXYHNQBLT-IAGOWNOFSA-N 0 3 304.434 2.106 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC001200823219 798683237 /nfs/dbraw/zinc/68/32/37/798683237.db2.gz DHXLJHMJIBFFRS-UHFFFAOYSA-N 0 3 304.438 2.340 20 30 DEEDHN CC#CCCCC(=O)N1CCCO[C@@H](CNC/C=C/Cl)C1 ZINC001201203538 798720602 /nfs/dbraw/zinc/72/06/02/798720602.db2.gz BZYZGNOZMYSTDK-PPYMECGQSA-N 0 3 312.841 2.140 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2ccc(Cl)c(C)c2)CCCO1 ZINC001201308778 798738359 /nfs/dbraw/zinc/73/83/59/798738359.db2.gz DFVNOASKVPZULU-HNNXBMFYSA-N 0 3 320.820 2.102 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001160903120 798759101 /nfs/dbraw/zinc/75/91/01/798759101.db2.gz DECCKSJOMUVYBQ-GFCCVEGCSA-N 0 3 302.340 2.347 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C2(c3cccnc3)CC2)CC1 ZINC001160986355 798775150 /nfs/dbraw/zinc/77/51/50/798775150.db2.gz QBRUPZHACOCULJ-UHFFFAOYSA-N 0 3 323.440 2.275 20 30 DEEDHN CCCCCCCCN1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001201814195 798800283 /nfs/dbraw/zinc/80/02/83/798800283.db2.gz MUCKSVBTNSOUER-HOTGVXAUSA-N 0 3 323.481 2.110 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCCO1 ZINC001201924705 798806990 /nfs/dbraw/zinc/80/69/90/798806990.db2.gz SFFDJFDOIJBRAF-MRXNPFEDSA-N 0 3 320.820 2.184 20 30 DEEDHN C#CCCCCCC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC001201997211 798820511 /nfs/dbraw/zinc/82/05/11/798820511.db2.gz CFABSTYJCVDSNG-UHFFFAOYSA-N 0 3 316.449 2.084 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001161283100 798820700 /nfs/dbraw/zinc/82/07/00/798820700.db2.gz QFXMDLYVSGLDKC-SNVBAGLBSA-N 0 3 312.845 2.369 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001202084899 798825724 /nfs/dbraw/zinc/82/57/24/798825724.db2.gz MKDPCTHHULVTJX-DZGCQCFKSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001202130965 798830830 /nfs/dbraw/zinc/83/08/30/798830830.db2.gz QQVLYNNQHXZNKJ-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H](CCC)CC(C)C)CCCO1 ZINC001202184875 798837538 /nfs/dbraw/zinc/83/75/38/798837538.db2.gz YQXYNNSWZDDMJK-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](OC)[C@@H](C)CC ZINC001161377941 798839800 /nfs/dbraw/zinc/83/98/00/798839800.db2.gz HNQSFJFWRRPKQG-CMPLNLGQSA-N 0 3 321.259 2.052 20 30 DEEDHN C=CCCCC(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001202266588 798847943 /nfs/dbraw/zinc/84/79/43/798847943.db2.gz HRPIVJYSTBIVTI-UHFFFAOYSA-N 0 3 302.422 2.222 20 30 DEEDHN O=C(N[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2)C(F)F ZINC001202288456 798858640 /nfs/dbraw/zinc/85/86/40/798858640.db2.gz CMGSYMVPVBTPQD-LSDHHAIUSA-N 0 3 318.367 2.320 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001161688402 798911193 /nfs/dbraw/zinc/91/11/93/798911193.db2.gz JRPLEVXEBCVRRP-UHFFFAOYSA-N 0 3 311.429 2.279 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(COC)CCCC1)C2 ZINC001110634395 798935520 /nfs/dbraw/zinc/93/55/20/798935520.db2.gz DIOHBZQLPWBHOK-OAGGEKHMSA-N 0 3 306.450 2.491 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc(COC)cs1 ZINC001161885711 798958720 /nfs/dbraw/zinc/95/87/20/798958720.db2.gz VICOIAHVOKVFJO-UHFFFAOYSA-N 0 3 302.827 2.357 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCC2(C)CC2)(COC)CC1 ZINC001162563333 799118431 /nfs/dbraw/zinc/11/84/31/799118431.db2.gz HHJYRGWCTRBARF-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CCOC(C)C ZINC001162710215 799154076 /nfs/dbraw/zinc/15/40/76/799154076.db2.gz PXBDRDWRRHFHHJ-UHFFFAOYSA-N 0 3 316.445 2.096 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H](C)CSC ZINC001162746960 799165419 /nfs/dbraw/zinc/16/54/19/799165419.db2.gz KIOZXIDSPOHVHT-MRXNPFEDSA-N 0 3 318.486 2.280 20 30 DEEDHN N#Cc1nc(N[C@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001163220061 799279402 /nfs/dbraw/zinc/27/94/02/799279402.db2.gz KTDZSPUDOLPYTR-JTQLQIEISA-N 0 3 301.331 2.179 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCOC(C)C)CC1 ZINC001163496769 799359654 /nfs/dbraw/zinc/35/96/54/799359654.db2.gz RZFSACVKIYARJH-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001202694283 799362487 /nfs/dbraw/zinc/36/24/87/799362487.db2.gz KLUVKYHXUIJIQF-LBPRGKRZSA-N 0 3 319.453 2.357 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2ccco2)c1 ZINC001154211467 799407607 /nfs/dbraw/zinc/40/76/07/799407607.db2.gz IPDONAMQYILOIR-UHFFFAOYSA-N 0 3 301.321 2.200 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCNCC(=O)Nc1ccccc1 ZINC001163855798 799446948 /nfs/dbraw/zinc/44/69/48/799446948.db2.gz TUJYSXHRRNOOOS-UHFFFAOYSA-N 0 3 317.433 2.323 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCCNCC(=C)Br ZINC001164213793 799540843 /nfs/dbraw/zinc/54/08/43/799540843.db2.gz NGOZJNLZRUVVGA-PWSUYJOCSA-N 0 3 303.244 2.449 20 30 DEEDHN CC#CCCCC(=O)NCCCNCc1c(C)nn(C)c1Cl ZINC001164262958 799555943 /nfs/dbraw/zinc/55/59/43/799555943.db2.gz PVLICTMLLHLWFK-UHFFFAOYSA-N 0 3 324.856 2.171 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1cc(OC)ccn1 ZINC001164346662 799578408 /nfs/dbraw/zinc/57/84/08/799578408.db2.gz VFQDZINCLLZZSC-AWEZNQCLSA-N 0 3 305.422 2.288 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(F)cc1F)C2 ZINC001095448623 799603274 /nfs/dbraw/zinc/60/32/74/799603274.db2.gz KSXWOBRZQDSKDW-PVAVHDDUSA-N 0 3 318.367 2.252 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001149058245 799636528 /nfs/dbraw/zinc/63/65/28/799636528.db2.gz IADXRYKJKNKPTP-FYCOFBDGSA-N 0 3 304.390 2.076 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCNCc2oc(CC)nc2C)C1 ZINC001166245505 799850393 /nfs/dbraw/zinc/85/03/93/799850393.db2.gz FTBBWUBPMDQZBG-UHFFFAOYSA-N 0 3 305.422 2.498 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@]2(C)CCO[C@H]2C)CC1 ZINC001166357566 799860710 /nfs/dbraw/zinc/86/07/10/799860710.db2.gz PPEIWHOPBVYDGQ-ZFWWWQNUSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](OC)C2CCC2)CC1 ZINC001166431880 799869969 /nfs/dbraw/zinc/86/99/69/799869969.db2.gz VRDUATSMVLQOPV-AWEZNQCLSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC12CC(OCC)C2 ZINC001166578876 799892768 /nfs/dbraw/zinc/89/27/68/799892768.db2.gz XXSIMDZCWSIUNO-JVWICGRDSA-N 0 3 300.830 2.040 20 30 DEEDHN CC(C)(C)OC(=O)N1CC(OC2CCN(CCCC#N)CC2)C1 ZINC000932798363 799936041 /nfs/dbraw/zinc/93/60/41/799936041.db2.gz NJIGBDBQVBSFKE-UHFFFAOYSA-N 0 3 323.437 2.390 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCc3ccc(C#N)cc3)C[C@H]1N2C ZINC001205603728 800384885 /nfs/dbraw/zinc/38/48/85/800384885.db2.gz BNFRVMJKUZVSID-WNRNVDISSA-N 0 3 314.385 2.242 20 30 DEEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000934648611 800408401 /nfs/dbraw/zinc/40/84/01/800408401.db2.gz RGTWEKNABKWARD-NSHDSACASA-N 0 3 309.435 2.462 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)C[C@H]1C ZINC001206503050 800545369 /nfs/dbraw/zinc/54/53/69/800545369.db2.gz RYUZFZPESKHSED-KBRIMQKVSA-N 0 3 320.408 2.262 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(CC=C)CC=C)C1 ZINC001207107259 800685665 /nfs/dbraw/zinc/68/56/65/800685665.db2.gz CMFIUZIGZJELLH-NVXWUHKLSA-N 0 3 306.450 2.394 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1C ZINC001207215803 800712269 /nfs/dbraw/zinc/71/22/69/800712269.db2.gz PQEVYMYNSUNZJU-RHSMWYFYSA-N 0 3 318.465 2.293 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207451315 800754525 /nfs/dbraw/zinc/75/45/25/800754525.db2.gz MWOBMVLFEXSLJG-NVXWUHKLSA-N 0 3 316.470 2.370 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1C ZINC001207553626 800776324 /nfs/dbraw/zinc/77/63/24/800776324.db2.gz JEMSHWRPDFXCRR-HZPDHXFCSA-N 0 3 319.449 2.149 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001207685072 800806539 /nfs/dbraw/zinc/80/65/39/800806539.db2.gz WDMPUCYGJBUWLJ-MRXNPFEDSA-N 0 3 324.371 2.248 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCC[C@H](NCc2cncc(F)c2)C1 ZINC001208010420 800891136 /nfs/dbraw/zinc/89/11/36/800891136.db2.gz JILZNSOJRLSKMB-INIZCTEOSA-N 0 3 317.408 2.351 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001208195227 800927790 /nfs/dbraw/zinc/92/77/90/800927790.db2.gz ZDROWVKJKLPFDI-INIZCTEOSA-N 0 3 316.449 2.269 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCC(=O)NC(CC)CC)C1 ZINC001208260620 800942629 /nfs/dbraw/zinc/94/26/29/800942629.db2.gz ACIQOKGKRYZFRW-INIZCTEOSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)N(CC)CC)C1 ZINC001208261750 800943913 /nfs/dbraw/zinc/94/39/13/800943913.db2.gz RLJHKPRWYBHPKI-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@H](NCc3ccccn3)C2)CCC1 ZINC001208319176 800953987 /nfs/dbraw/zinc/95/39/87/800953987.db2.gz OCXSDXBJXWHLNA-KRWDZBQOSA-N 0 3 311.429 2.356 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001208320987 800954603 /nfs/dbraw/zinc/95/46/03/800954603.db2.gz HDOMPEGCSLTPOU-SJLPKXTDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001208419954 800980259 /nfs/dbraw/zinc/98/02/59/800980259.db2.gz DHGJWJZJFMDLGN-CZUORRHYSA-N 0 3 318.417 2.410 20 30 DEEDHN COc1cnc(O[C@H]2CCN(CCc3ccc(C#N)cc3)C2)nc1 ZINC001208928354 801094689 /nfs/dbraw/zinc/09/46/89/801094689.db2.gz FYQRHQHWJKDOPJ-INIZCTEOSA-N 0 3 324.384 2.053 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001208962570 801103563 /nfs/dbraw/zinc/10/35/63/801103563.db2.gz OGZGUFIKMPCHGI-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCCn2nc(C)cc2C)C1 ZINC001209006536 801110305 /nfs/dbraw/zinc/11/03/05/801110305.db2.gz DYMKASFJPGLJQF-RHSMWYFYSA-N 0 3 318.465 2.293 20 30 DEEDHN C=CCN(CCN1CCN(CCCCC)CC1)C(=O)OCC ZINC001209022375 801113741 /nfs/dbraw/zinc/11/37/41/801113741.db2.gz XJODSRSMOFRPIG-UHFFFAOYSA-N 0 3 311.470 2.439 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CCc2csc(C)n2)C1 ZINC001209115535 801131269 /nfs/dbraw/zinc/13/12/69/801131269.db2.gz FRHIGAXJTRQJRL-IUODEOHRSA-N 0 3 307.463 2.397 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCCCC)C1 ZINC001209146982 801135870 /nfs/dbraw/zinc/13/58/70/801135870.db2.gz SQJCIOIGNFDSNM-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCCN1CCN(c2cccc(OCCOC)c2)CC1 ZINC001209269399 801163496 /nfs/dbraw/zinc/16/34/96/801163496.db2.gz IYPZNUDBRPOISJ-UHFFFAOYSA-N 0 3 302.418 2.247 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001209376005 801179569 /nfs/dbraw/zinc/17/95/69/801179569.db2.gz ZBJWIFVNEHDMRW-ZIAGYGMSSA-N 0 3 319.453 2.365 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC001229291532 801251975 /nfs/dbraw/zinc/25/19/75/801251975.db2.gz GICLPRDRXZHQEI-UHFFFAOYSA-N 0 3 317.477 2.313 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3cnccc3N)C2)cc1 ZINC001209733380 801268699 /nfs/dbraw/zinc/26/86/99/801268699.db2.gz VEPDHVMWSMDRJY-KRWDZBQOSA-N 0 3 308.385 2.409 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001230659527 801453885 /nfs/dbraw/zinc/45/38/85/801453885.db2.gz WUPBIXCKDZCUKL-KRWDZBQOSA-N 0 3 319.449 2.437 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001210842875 801473312 /nfs/dbraw/zinc/47/33/12/801473312.db2.gz BERRCDCBIDGNTL-SOLBZPMBSA-N 0 3 314.429 2.222 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230856457 801514081 /nfs/dbraw/zinc/51/40/81/801514081.db2.gz WQTOYYRUYLDTQD-SJORKVTESA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001211175703 801525163 /nfs/dbraw/zinc/52/51/63/801525163.db2.gz AYTMTBMMNUGBLC-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2occ3c2CCC3)[C@H](OC)C1 ZINC001213219192 801583070 /nfs/dbraw/zinc/58/30/70/801583070.db2.gz FQXQTVVGACDHML-HZPDHXFCSA-N 0 3 318.417 2.164 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1C[C@@H](O)C1CCCCC1 ZINC001231168984 801597561 /nfs/dbraw/zinc/59/75/61/801597561.db2.gz CMCZXBWYYBLZCS-DLBZAZTESA-N 0 3 308.466 2.427 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H](OC)C1 ZINC001213462825 801612008 /nfs/dbraw/zinc/61/20/08/801612008.db2.gz RZJCXNGDMYMJSJ-QBPKDAKJSA-N 0 3 308.466 2.450 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(C2CC2)C2CC2)[C@H](OC)C1 ZINC001213940451 801656526 /nfs/dbraw/zinc/65/65/26/801656526.db2.gz DRRBFEPXCBPOPP-IAGOWNOFSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H](OC)C1 ZINC001213951354 801657556 /nfs/dbraw/zinc/65/75/56/801657556.db2.gz NUASOLLEZYPDHN-GFNSITTLSA-N 0 3 318.461 2.060 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001231616848 801697198 /nfs/dbraw/zinc/69/71/98/801697198.db2.gz MBZSHBLMQMXSKJ-HNNXBMFYSA-N 0 3 300.383 2.341 20 30 DEEDHN COc1cc(C#N)ccc1CN1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001231622174 801698053 /nfs/dbraw/zinc/69/80/53/801698053.db2.gz PMCZUFCCYCPUDN-HOCLYGCPSA-N 0 3 313.401 2.010 20 30 DEEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001231622172 801699250 /nfs/dbraw/zinc/69/92/50/801699250.db2.gz PMCZUFCCYCPUDN-GDBMZVCRSA-N 0 3 313.401 2.010 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)nc2)C1 ZINC001215700829 801894798 /nfs/dbraw/zinc/89/47/98/801894798.db2.gz KBFXTWBGPVIAKS-CZUORRHYSA-N 0 3 316.449 2.324 20 30 DEEDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(C#N)c2F)C[C@H](C)N1C ZINC001233101668 802025801 /nfs/dbraw/zinc/02/58/01/802025801.db2.gz DEYOTBYXCIAZKL-BETUJISGSA-N 0 3 304.413 2.288 20 30 DEEDHN CCOC(=O)c1ccnc(CN2CCC3SC(=O)C=C3C2)c1 ZINC001233324450 802076605 /nfs/dbraw/zinc/07/66/05/802076605.db2.gz FOHNJKQYCPIWNC-CQSZACIVSA-N 0 3 318.398 2.032 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cccc(N)n1)C2 ZINC001233370297 802094237 /nfs/dbraw/zinc/09/42/37/802094237.db2.gz WKJSUEQDPLRGAW-WMZOPIPTSA-N 0 3 317.433 2.238 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC001233489412 802131157 /nfs/dbraw/zinc/13/11/57/802131157.db2.gz ICKIEOURTQTPLB-WFASDCNBSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001233655174 802174903 /nfs/dbraw/zinc/17/49/03/802174903.db2.gz WMGSORQJOSBWKQ-HOTGVXAUSA-N 0 3 322.449 2.219 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(C)ncn1 ZINC001233707526 802188398 /nfs/dbraw/zinc/18/83/98/802188398.db2.gz URGSVEHIFDUTQN-GJZGRUSLSA-N 0 3 302.422 2.286 20 30 DEEDHN CN[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(C#N)ccn1 ZINC001218504996 802193534 /nfs/dbraw/zinc/19/35/34/802193534.db2.gz KBRMMYJQQIEPAY-AWEZNQCLSA-N 0 3 314.776 2.376 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001233762188 802199902 /nfs/dbraw/zinc/19/99/02/802199902.db2.gz QSAIBKFEVUFXIC-CVEARBPZSA-N 0 3 321.469 2.342 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCCOC(C)C)[C@H]2C1 ZINC001219070790 802279583 /nfs/dbraw/zinc/27/95/83/802279583.db2.gz OFNYNGUEZUWXHZ-DLBZAZTESA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CSC(C)C)[C@@H](O)C1 ZINC001219212687 802298738 /nfs/dbraw/zinc/29/87/38/802298738.db2.gz YBJYXGSIBBCYEA-CABCVRRESA-N 0 3 314.495 2.036 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001234163137 802314802 /nfs/dbraw/zinc/31/48/02/802314802.db2.gz YEHJGZYABSTKAW-GJZGRUSLSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccc(C)nn1 ZINC001234163138 802315287 /nfs/dbraw/zinc/31/52/87/802315287.db2.gz 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802370610 /nfs/dbraw/zinc/37/06/10/802370610.db2.gz XCDZYDWPTDBKIO-LSDHHAIUSA-N 0 3 304.438 2.115 20 30 DEEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCC[C@H](C)O ZINC001234518130 802400414 /nfs/dbraw/zinc/40/04/14/802400414.db2.gz RWOTXYWKHKNMMT-DOTOQJQBSA-N 0 3 308.466 2.449 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001220142656 802414657 /nfs/dbraw/zinc/41/46/57/802414657.db2.gz CSBISKPLUFVVOG-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220205467 802427029 /nfs/dbraw/zinc/42/70/29/802427029.db2.gz BCAMXTISVUTINX-QOOKESJHSA-N 0 3 308.466 2.496 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cn2c(n1)CCCC2 ZINC001234626877 802435777 /nfs/dbraw/zinc/43/57/77/802435777.db2.gz WQCSAWIUTBANDK-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCCC(C)C)C[C@@H]2O)CCC1 ZINC001220295652 802440861 /nfs/dbraw/zinc/44/08/61/802440861.db2.gz VSDLFHDLENIWMQ-CVEARBPZSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC3CC(C)C3)C[C@@H]2O)CCCC1 ZINC001221198320 802535965 /nfs/dbraw/zinc/53/59/65/802535965.db2.gz CEOOAAFQGNXKOT-BACDZXNISA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001221463766 802577690 /nfs/dbraw/zinc/57/76/90/802577690.db2.gz FYJQEMHVDKKXCA-SFFUCWETSA-N 0 3 318.461 2.158 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN([C@H](C)COC)C[C@H]21 ZINC001221574973 802593641 /nfs/dbraw/zinc/59/36/41/802593641.db2.gz SRINHKLQKWEZEX-DJIMGWMZSA-N 0 3 306.450 2.322 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001221786972 802615829 /nfs/dbraw/zinc/61/58/29/802615829.db2.gz FOWXIILXXAYCSU-JHJVBQTASA-N 0 3 302.340 2.131 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(CCC[C@H](C)O)C[C@H]32)CC1 ZINC001221790047 802615866 /nfs/dbraw/zinc/61/58/66/802615866.db2.gz DAAQUSABMXUJFN-CGTJXYLNSA-N 0 3 320.477 2.427 20 30 DEEDHN C=CCCCN1CC[C@@H]2CN(C(=O)c3ocnc3CC)[C@@H]2C1 ZINC001221802634 802616961 /nfs/dbraw/zinc/61/69/61/802616961.db2.gz NUIWZBPOYVATJV-UKRRQHHQSA-N 0 3 303.406 2.350 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COCc3ccccc3)[C@@H]2C1 ZINC001222008759 802632673 /nfs/dbraw/zinc/63/26/73/802632673.db2.gz KWUIGUVGVDEGTM-QZTJIDSGSA-N 0 3 314.429 2.312 20 30 DEEDHN C=CCOCC(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001222619338 802717933 /nfs/dbraw/zinc/71/79/33/802717933.db2.gz OHDYOAFUUWDUTH-UHFFFAOYSA-N 0 3 320.408 2.357 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001222636191 802720087 /nfs/dbraw/zinc/72/00/87/802720087.db2.gz IYXVKYCFRBKMEL-CQSZACIVSA-N 0 3 310.401 2.046 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001223143628 802768718 /nfs/dbraw/zinc/76/87/18/802768718.db2.gz XGRKERVKJOFAED-UHFFFAOYSA-N 0 3 313.445 2.459 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001223457555 802791829 /nfs/dbraw/zinc/79/18/29/802791829.db2.gz OMEACRDMANAWSR-UHFFFAOYSA-N 0 3 302.340 2.180 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](CCC)c2ccccn2)CC1 ZINC001224232525 802848975 /nfs/dbraw/zinc/84/89/75/802848975.db2.gz MXJSPGXAFZRPHN-QGZVFWFLSA-N 0 3 313.445 2.427 20 30 DEEDHN C=C(CO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1)C(=O)OC ZINC001224373286 802861694 /nfs/dbraw/zinc/86/16/94/802861694.db2.gz PIODYRSZNPOGJB-LSDHHAIUSA-N 0 3 304.390 2.353 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CCCC ZINC001225969694 803035471 /nfs/dbraw/zinc/03/54/71/803035471.db2.gz PLAGBGIHUYKLTM-ARFHVFGLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCC(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001226589703 803128523 /nfs/dbraw/zinc/12/85/23/803128523.db2.gz WYESDPFSPMKWJM-UHFFFAOYSA-N 0 3 320.408 2.417 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cscc2C)CC1 ZINC001226759831 803154106 /nfs/dbraw/zinc/15/41/06/803154106.db2.gz BOYZIQBPPDRJOU-UHFFFAOYSA-N 0 3 308.447 2.453 20 30 DEEDHN C#CCCCCC(=O)NC1CCN(CCOCC2CC2)CC1 ZINC001226961881 803181899 /nfs/dbraw/zinc/18/18/99/803181899.db2.gz PQXGMBPDKHDQTE-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCCCC(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001227109044 803203436 /nfs/dbraw/zinc/20/34/36/803203436.db2.gz ZAYVTNCQNMCORA-UHFFFAOYSA-N 0 3 314.429 2.450 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001227258330 803223459 /nfs/dbraw/zinc/22/34/59/803223459.db2.gz OFVONSSLDOGIFL-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN CC(C)(C)C#CC(=O)NC1CCN(C[C@@H]2CCCCO2)CC1 ZINC001227281459 803226647 /nfs/dbraw/zinc/22/66/47/803226647.db2.gz VLJFPMJRIKKGEK-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)COC ZINC001227500000 803245858 /nfs/dbraw/zinc/24/58/58/803245858.db2.gz PYAMHNAPLKMAQV-CHWSQXEVSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(C)CCC(=O)NC1CCN(CCCc2nc(C)no2)CC1 ZINC001227596559 803256164 /nfs/dbraw/zinc/25/61/64/803256164.db2.gz GFCCVQWZZCOCQY-UHFFFAOYSA-N 0 3 320.437 2.248 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2conc2C(C)C)CC1 ZINC001227775494 803278248 /nfs/dbraw/zinc/27/82/48/803278248.db2.gz WGNXJEIDHNIUMW-UHFFFAOYSA-N 0 3 321.421 2.195 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001228415824 803356284 /nfs/dbraw/zinc/35/62/84/803356284.db2.gz UMCVLIYIJQZTPS-GFCCVEGCSA-N 0 3 322.371 2.358 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228750136 803405327 /nfs/dbraw/zinc/40/53/27/803405327.db2.gz WLUSUDFOCUZNMT-CABCVRRESA-N 0 3 318.465 2.001 20 30 DEEDHN C[C@@H](CNC(=O)COC(C)(C)C)NCc1ccc(C#N)s1 ZINC001418211504 1167492689 /nfs/dbraw/zinc/49/26/89/1167492689.db2.gz ULNXTADHSYYTND-NSHDSACASA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001331457787 1149465265 /nfs/dbraw/zinc/46/52/65/1149465265.db2.gz GOZJGYKRBDBZBS-KBPBESRZSA-N 0 3 311.470 2.082 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1sc(C)cc1C ZINC001331461015 1149466987 /nfs/dbraw/zinc/46/69/87/1149466987.db2.gz SJZVKQFNYZARPI-CYBMUJFWSA-N 0 3 308.447 2.065 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](CCC)c1ccccn1 ZINC001331528917 1149509600 /nfs/dbraw/zinc/50/96/00/1149509600.db2.gz HAMXSLOPAJMNED-HZPDHXFCSA-N 0 3 301.434 2.425 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1c(F)cc(OC)cc1F ZINC001331562851 1149533930 /nfs/dbraw/zinc/53/39/30/1149533930.db2.gz BDUHDPMFPXKPQU-NSHDSACASA-N 0 3 310.344 2.047 20 30 DEEDHN C=CCCCC(=O)N1CCN(C2CN(CCC(C)C)C2)CC1 ZINC001328129659 1148727410 /nfs/dbraw/zinc/72/74/10/1148727410.db2.gz NRNMKGQQFYXMIO-UHFFFAOYSA-N 0 3 307.482 2.217 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001327213357 1148399264 /nfs/dbraw/zinc/39/92/64/1148399264.db2.gz QOKRSUOAWRXZJU-UHFFFAOYSA-N 0 3 315.417 2.082 20 30 DEEDHN N#Cc1ccc(C[NH2+]Cc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001570919510 948588932 /nfs/dbraw/zinc/58/89/32/948588932.db2.gz WGCMFLZQJCQPNF-UHFFFAOYSA-N 0 3 314.349 2.229 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC001343234079 1150716979 /nfs/dbraw/zinc/71/69/79/1150716979.db2.gz PXBHRQWBKGQBKR-CVEARBPZSA-N 0 3 306.381 2.409 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H]2OC)cc1 ZINC001343599757 1150756109 /nfs/dbraw/zinc/75/61/09/1150756109.db2.gz PDZKXKKZEZYJLB-RRFJBIMHSA-N 0 3 316.357 2.158 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCn2cnnc2[C@@H]1C ZINC001343643309 1150759259 /nfs/dbraw/zinc/75/92/59/1150759259.db2.gz LDQUWMXUHZJSON-KBPBESRZSA-N 0 3 307.442 2.259 20 30 DEEDHN CC#CC[C@@H](N)C(=O)NCc1ccc(-c2ccco2)cc1F ZINC001574971047 1069314438 /nfs/dbraw/zinc/31/44/38/1069314438.db2.gz ALUNQTSUNGCDJT-OAHLLOKOSA-N 0 3 300.333 2.443 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCSCC1 ZINC001343823351 1150775528 /nfs/dbraw/zinc/77/55/28/1150775528.db2.gz NSHLERWHMWBUIQ-CQSZACIVSA-N 0 3 321.494 2.217 20 30 DEEDHN CC#CC[C@H](N)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001574972792 1069317191 /nfs/dbraw/zinc/31/71/91/1069317191.db2.gz QNQDHGNGHVSHIQ-LBPRGKRZSA-N 0 3 320.261 2.341 20 30 DEEDHN C[C@H](CCCC#C[Si](C)(C)C)OC(=O)C1CCN(C)C1=O ZINC001344498992 1150826860 /nfs/dbraw/zinc/82/68/60/1150826860.db2.gz MIZHFJQSABMCNV-KGLIPLIRSA-N 0 3 309.482 2.448 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1cccc(C#N)c1 ZINC001368939516 1148792883 /nfs/dbraw/zinc/79/28/83/1148792883.db2.gz OOYSTCDOXPRNIF-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](CNCc1c[nH]nn1)C1CCCC1 ZINC001575065481 1069353684 /nfs/dbraw/zinc/35/36/84/1069353684.db2.gz IKKPGQZORQMAQL-OAHLLOKOSA-N 0 3 319.453 2.172 20 30 DEEDHN C=CCC1(C(=O)N(C)C2CC(NCc3cn[nH]n3)C2)CCCC1 ZINC001575085196 1069361138 /nfs/dbraw/zinc/36/11/38/1069361138.db2.gz JBOSQWKLUGDGNB-UHFFFAOYSA-N 0 3 317.437 2.020 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575104493 1069368256 /nfs/dbraw/zinc/36/82/56/1069368256.db2.gz RCYGUYOZLKVUCG-MRXNPFEDSA-N 0 3 319.453 2.016 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)CN(CC)CC ZINC001523802354 1069722338 /nfs/dbraw/zinc/72/23/38/1069722338.db2.gz GUVVEEWUNTUFRB-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN COCC#CCN1CCC2(CC1)CCN(C(=O)C1(C)CC1)CC2 ZINC001328504018 1148804100 /nfs/dbraw/zinc/80/41/00/1148804100.db2.gz XXMCONSQCHACKA-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC001524256227 1069878414 /nfs/dbraw/zinc/87/84/14/1069878414.db2.gz ILUCLHTUTRFCNY-NSHDSACASA-N 0 3 316.748 2.308 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001328558356 1148810229 /nfs/dbraw/zinc/81/02/29/1148810229.db2.gz KULSDWPMQFZDJV-INIZCTEOSA-N 0 3 308.466 2.025 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001368515122 1148473069 /nfs/dbraw/zinc/47/30/69/1148473069.db2.gz LDXFEVSMGYDHJF-CJNGLKHVSA-N 0 3 303.381 2.456 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001328732349 1148829442 /nfs/dbraw/zinc/82/94/42/1148829442.db2.gz DIYISQKJJHIZQV-ZDUSSCGKSA-N 0 3 304.438 2.430 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1nc(C)cs1 ZINC001328750972 1148831385 /nfs/dbraw/zinc/83/13/85/1148831385.db2.gz XLLHSUJIVRQHTA-AWEZNQCLSA-N 0 3 307.463 2.493 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001326209775 1148057235 /nfs/dbraw/zinc/05/72/35/1148057235.db2.gz ZDUZYYGBBFBJIQ-KGLIPLIRSA-N 0 3 300.830 2.136 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001530255624 1071187523 /nfs/dbraw/zinc/18/75/23/1071187523.db2.gz BHHBGJVPWYUOML-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN N#CC[C@@H](O)CN1CCC(COc2ccc(Cl)nc2)CC1 ZINC001351414001 1151542028 /nfs/dbraw/zinc/54/20/28/1151542028.db2.gz LWVGCGDADXSVBF-CYBMUJFWSA-N 0 3 309.797 2.100 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001532145420 1071624050 /nfs/dbraw/zinc/62/40/50/1071624050.db2.gz AUZQNSLWHHGBRB-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CCC(C(=O)N2CCCC[C@H]2c2cc(C)n[nH]2)CC1 ZINC001456384903 1057854639 /nfs/dbraw/zinc/85/46/39/1057854639.db2.gz RRGSJODNFVNVLT-KRWDZBQOSA-N 0 3 314.433 2.117 20 30 DEEDHN C#CCN1CCC(C(=O)N2CCCC[C@H]2c2cc(C)[nH]n2)CC1 ZINC001456384903 1057854643 /nfs/dbraw/zinc/85/46/43/1057854643.db2.gz RRGSJODNFVNVLT-KRWDZBQOSA-N 0 3 314.433 2.117 20 30 DEEDHN C#CCN(C(C)=O)C1CCN(Cc2sc(C)nc2C)CC1 ZINC001500019552 1058434777 /nfs/dbraw/zinc/43/47/77/1058434777.db2.gz DZYRAKNXYUNPNZ-UHFFFAOYSA-N 0 3 305.447 2.206 20 30 DEEDHN C#CCN(C(=O)CC1(C)CC1)C1CCN(CCOCC)CC1 ZINC001500042056 1058448227 /nfs/dbraw/zinc/44/82/27/1058448227.db2.gz JFMWYXSDCYQYNI-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)C1CCN(CC=C)CC1 ZINC001500058286 1058458376 /nfs/dbraw/zinc/45/83/76/1058458376.db2.gz XFNLZUOUGMZYOW-WMZOPIPTSA-N 0 3 318.461 2.446 20 30 DEEDHN C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1[O-] ZINC001460635958 1058483046 /nfs/dbraw/zinc/48/30/46/1058483046.db2.gz FZEFHEACFJIAAS-ZDUSSCGKSA-N 0 3 309.369 2.231 20 30 DEEDHN CC#CCN1CC[C@H](N2CCN(C(=O)CC(C)(C)CC)CC2)C1 ZINC001500163385 1058537759 /nfs/dbraw/zinc/53/77/59/1058537759.db2.gz QULOHIRXJIULJH-KRWDZBQOSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001500276335 1058661824 /nfs/dbraw/zinc/66/18/24/1058661824.db2.gz ZDQSORNGJBFBIH-RDJZCZTQSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(C)CCN(CC#CCOC)CC1 ZINC001500440188 1058785997 /nfs/dbraw/zinc/78/59/97/1058785997.db2.gz XMHAKPVUPYXMMN-UHFFFAOYSA-N 0 3 306.450 2.067 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001500444677 1058788888 /nfs/dbraw/zinc/78/88/88/1058788888.db2.gz RZWWXQSNTXDOAM-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2c(C)nsc2C)CC1 ZINC001500466137 1058809716 /nfs/dbraw/zinc/80/97/16/1058809716.db2.gz SWSAUCHHXVAJQC-UHFFFAOYSA-N 0 3 305.447 2.225 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cn(C)nc2C2CC2)C1 ZINC001500497838 1058850630 /nfs/dbraw/zinc/85/06/30/1058850630.db2.gz BEEALVGVCLAEIA-GOSISDBHSA-N 0 3 316.449 2.315 20 30 DEEDHN CC(C)COCCN1CCC[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001500495491 1058855385 /nfs/dbraw/zinc/85/53/85/1058855385.db2.gz FYLFAZUOGWRREF-LJQANCHMSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001500511526 1058871817 /nfs/dbraw/zinc/87/18/17/1058871817.db2.gz FBJOKTWYPMBCQN-GOSISDBHSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001500523460 1058892799 /nfs/dbraw/zinc/89/27/99/1058892799.db2.gz XQRAVKBXIKTPKJ-KRWDZBQOSA-N 0 3 319.453 2.051 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)NCc2nccs2)C1 ZINC001501046902 1059229255 /nfs/dbraw/zinc/22/92/55/1059229255.db2.gz IKZWBPNNYXBLKN-KGLIPLIRSA-N 0 3 305.447 2.129 20 30 DEEDHN CCC/C=C/CCN1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001501324718 1059449528 /nfs/dbraw/zinc/44/95/28/1059449528.db2.gz YJGUFRHMYUIMEO-PXPVJAHISA-N 0 3 318.461 2.089 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3CCO)CCCCC1 ZINC001501408098 1059496843 /nfs/dbraw/zinc/49/68/43/1059496843.db2.gz OLVBRFOFLUHZOU-IRXDYDNUSA-N 0 3 318.461 2.018 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](CCNCc2ccn(C)n2)C1 ZINC001501622411 1059579461 /nfs/dbraw/zinc/57/94/61/1059579461.db2.gz WXHZTNQAWNCHBU-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cnn(CC)c2)cc1 ZINC001501673037 1059626301 /nfs/dbraw/zinc/62/63/01/1059626301.db2.gz LBJJHJFFCAWLEA-CQSZACIVSA-N 0 3 310.401 2.117 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCOC(C)C)cc1 ZINC001501674371 1059626974 /nfs/dbraw/zinc/62/69/74/1059626974.db2.gz XSEVBOIHZWSYOG-OAHLLOKOSA-N 0 3 302.418 2.402 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC2CCOCC2)cc1 ZINC001501673808 1059627035 /nfs/dbraw/zinc/62/70/35/1059627035.db2.gz RUNRBKJZWGWYER-OAHLLOKOSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCNC1(CNC(=O)c2nsc3ccc(C)cc32)CCC1 ZINC001501988219 1059835774 /nfs/dbraw/zinc/83/57/74/1059835774.db2.gz GVZYKWYKZWKIKO-UHFFFAOYSA-N 0 3 313.426 2.480 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@H](CNCc2cncs2)C1 ZINC001502056331 1059903680 /nfs/dbraw/zinc/90/36/80/1059903680.db2.gz VETAUOXXSQPXHZ-CYBMUJFWSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)CCCC3CC3)C2)CC1 ZINC001502101963 1059932875 /nfs/dbraw/zinc/93/28/75/1059932875.db2.gz MGFMZYIUBJHBFV-GOSISDBHSA-N 0 3 319.493 2.361 20 30 DEEDHN Cc1ccncc1CN1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 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DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001502593306 1060190634 /nfs/dbraw/zinc/19/06/34/1060190634.db2.gz DXNPCPGFGYJVEV-QZTJIDSGSA-N 0 3 308.466 2.169 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccsc2)[C@H](C)C1 ZINC001502905327 1060384448 /nfs/dbraw/zinc/38/44/48/1060384448.db2.gz AFXLSWJJKGMYEM-UKRRQHHQSA-N 0 3 308.447 2.420 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001505386309 1060517310 /nfs/dbraw/zinc/51/73/10/1060517310.db2.gz KKDMDEIEPGCMAP-JKSUJKDBSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)N(CC)CC ZINC001505403132 1060538109 /nfs/dbraw/zinc/53/81/09/1060538109.db2.gz ZYIOWCTYUNEWRN-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001505429669 1060578497 /nfs/dbraw/zinc/57/84/97/1060578497.db2.gz SDYFJXOAESFERY-MJGOQNOKSA-N 0 3 316.445 2.437 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1cnn(C)c1C1CC1 ZINC001505469953 1060641339 /nfs/dbraw/zinc/64/13/39/1060641339.db2.gz 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ZINC001505886071 1061090597 /nfs/dbraw/zinc/09/05/97/1061090597.db2.gz DUQPPLTUQJCBHO-KBPBESRZSA-N 0 3 310.401 2.331 20 30 DEEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1ccc(C#N)cc1 ZINC001505902821 1061111805 /nfs/dbraw/zinc/11/18/05/1061111805.db2.gz VAZLVPKLFOPYAV-CYBMUJFWSA-N 0 3 321.384 2.008 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001505937202 1061152603 /nfs/dbraw/zinc/15/26/03/1061152603.db2.gz AHONMMUPXVISQY-XJKSGUPXSA-N 0 3 302.418 2.348 20 30 DEEDHN CCCCCCCC[C@@H](CO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC001477560208 1061181504 /nfs/dbraw/zinc/18/15/04/1061181504.db2.gz DBIDCFNLQHKIAJ-CVEARBPZSA-N 0 3 313.486 2.491 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001505976757 1061195942 /nfs/dbraw/zinc/19/59/42/1061195942.db2.gz SAVZJRHBHVSSQL-CYBMUJFWSA-N 0 3 301.862 2.050 20 30 DEEDHN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(CCCCC)[nH]n1 ZINC001479254940 1061333471 /nfs/dbraw/zinc/33/34/71/1061333471.db2.gz XYGJCMPPGVIDGA-MRXNPFEDSA-N 0 3 316.449 2.312 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ns2)C1 ZINC001479294491 1061371577 /nfs/dbraw/zinc/37/15/77/1061371577.db2.gz YQWAPILEXSKGNZ-OKILXGFUSA-N 0 3 305.447 2.239 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001479759757 1061694669 /nfs/dbraw/zinc/69/46/69/1061694669.db2.gz FKOGSBOEASZZII-UHFFFAOYSA-N 0 3 316.449 2.020 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CCCCOC)C2)cc1 ZINC001479907622 1062032398 /nfs/dbraw/zinc/03/23/98/1062032398.db2.gz GKIVVVYEOZVRGT-SFHVURJKSA-N 0 3 314.429 2.289 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001479920776 1062054423 /nfs/dbraw/zinc/05/44/23/1062054423.db2.gz NKESOFSOPDISCC-IAGOWNOFSA-N 0 3 321.509 2.369 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCc2cccc(Cl)c2)C1 ZINC001479959642 1062112641 /nfs/dbraw/zinc/11/26/41/1062112641.db2.gz BTPAOYVBYLLMJJ-INIZCTEOSA-N 0 3 304.821 2.486 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(Cc3ccccc3F)CC2)C1 ZINC001479965771 1062121791 /nfs/dbraw/zinc/12/17/91/1062121791.db2.gz 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ZINC001480111092 1062339195 /nfs/dbraw/zinc/33/91/95/1062339195.db2.gz ZFURINPTYUZANL-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@H](OCC)C2CCCC2)C(C)(C)C1 ZINC001506743861 1062345205 /nfs/dbraw/zinc/34/52/05/1062345205.db2.gz HJQVGDXOGXGARG-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCOCC)C1 ZINC001480183883 1062435866 /nfs/dbraw/zinc/43/58/66/1062435866.db2.gz GLBUMPDHCUMFPF-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]2CN(CC#CCOC)CC[C@@H]21 ZINC001480186441 1062438367 /nfs/dbraw/zinc/43/83/67/1062438367.db2.gz NGDOQLYTLUNDMQ-ROUUACIJSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(C)CCC(=O)N1CCC2(CO[C@H](CNCCF)C2)CC1 ZINC001506871616 1062456257 /nfs/dbraw/zinc/45/62/57/1062456257.db2.gz AGWQHDFZYRIBOC-HNNXBMFYSA-N 0 3 312.429 2.300 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001480219397 1062480387 /nfs/dbraw/zinc/48/03/87/1062480387.db2.gz CWZXUZMUUQRSLF-XDQVBPFNSA-N 0 3 319.453 2.267 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)CC#Cc2ccccc2)C1 ZINC001480269203 1062569222 /nfs/dbraw/zinc/56/92/22/1062569222.db2.gz FLOHGQCVWKAASP-LJQANCHMSA-N 0 3 308.425 2.280 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001480272011 1062573702 /nfs/dbraw/zinc/57/37/02/1062573702.db2.gz NUTIYIUJJXQIAC-WBVHZDCISA-N 0 3 316.420 2.466 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](C)OCCC(C)C)C1 ZINC001480271880 1062576310 /nfs/dbraw/zinc/57/63/10/1062576310.db2.gz MZKQFXVMCJBCLA-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(CC)CC)C1 ZINC001329124881 1148866775 /nfs/dbraw/zinc/86/67/75/1148866775.db2.gz GQVOYUYWPSUBJJ-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](CNCc1n[nH]c(C)n1)C1CC1 ZINC001507019678 1062683325 /nfs/dbraw/zinc/68/33/25/1062683325.db2.gz SKDAZHPTTYGSLJ-CQSZACIVSA-N 0 3 319.453 2.042 20 30 DEEDHN CCC(CC)C(=O)N[C@@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001480378133 1062749835 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CC#CCNC1(CNC(=O)CCc2ccc(OC)c(F)c2)CC1 ZINC001569408718 1065496028 /nfs/dbraw/zinc/49/60/28/1065496028.db2.gz XEGUUJNDAGXSOY-UHFFFAOYSA-N 0 3 318.392 2.029 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2(NC[C@@H](O)c3ccccc3)CC2)C1 ZINC001569417328 1065499042 /nfs/dbraw/zinc/49/90/42/1065499042.db2.gz JVCUOVHTVRXMDC-MRXNPFEDSA-N 0 3 314.429 2.315 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)COCCCCCC)C2)C1 ZINC001569481493 1065535596 /nfs/dbraw/zinc/53/55/96/1065535596.db2.gz XIGRNRORPGCUJT-SFHVURJKSA-N 0 3 306.450 2.141 20 30 DEEDHN C=CCCC[NH2+][C@H](CNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001496557311 1065560460 /nfs/dbraw/zinc/56/04/60/1065560460.db2.gz LEJNYYBISROUQU-OAHLLOKOSA-N 0 3 315.421 2.268 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001569557326 1065589960 /nfs/dbraw/zinc/58/99/60/1065589960.db2.gz VFXXOGMZSODVDN-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC2(CO[C@H](CNC(=O)C=C(CC)CC)C2)CC1 ZINC001569579613 1065604880 /nfs/dbraw/zinc/60/48/80/1065604880.db2.gz MYVXGGXHHAWMDF-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCN(C(=O)CC1CC1)C1CCN(CCOCC(C)C)CC1 ZINC001569581001 1065607545 /nfs/dbraw/zinc/60/75/45/1065607545.db2.gz GHHOJAYRZFBYRN-UHFFFAOYSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCCOC1)C1CCN(CC=C(C)C)CC1 ZINC001569585195 1065609117 /nfs/dbraw/zinc/60/91/17/1065609117.db2.gz ZCWXZDJUTPWDKX-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1CCN(CCO)CC1 ZINC001569593134 1065612058 /nfs/dbraw/zinc/61/20/58/1065612058.db2.gz NRFGSVFPQIEHSS-MRXNPFEDSA-N 0 3 322.493 2.367 20 30 DEEDHN C#CCN(C(=O)c1cc2c([nH]1)CCC2)C1CCN(CC=C)CC1 ZINC001569595103 1065612359 /nfs/dbraw/zinc/61/23/59/1065612359.db2.gz CRRSOURSNRFYRN-UHFFFAOYSA-N 0 3 311.429 2.229 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)CC[C@H]2CCCCO2)C1 ZINC001569648482 1065649391 /nfs/dbraw/zinc/64/93/91/1065649391.db2.gz VGTAOAHLIQDCNL-SJLPKXTDSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001569653672 1065651426 /nfs/dbraw/zinc/65/14/26/1065651426.db2.gz RVMRQCPXYAVXEE-KRWDZBQOSA-N 0 3 324.371 2.362 20 30 DEEDHN CN(CCN(C)C(=O)C#CC1CC1)Cc1ccc2c(c1)CCC2 ZINC001496698622 1065655641 /nfs/dbraw/zinc/65/56/41/1065655641.db2.gz PIOHNRJVPRBFBM-UHFFFAOYSA-N 0 3 310.441 2.479 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(C[C@H](C)OC)CCC1(F)F ZINC001569739031 1065700271 /nfs/dbraw/zinc/70/02/71/1065700271.db2.gz NIOZQFWCOANLFW-QWHCGFSZSA-N 0 3 318.408 2.307 20 30 DEEDHN C=CCCC(=O)N[C@@]1(CO)CCCN(Cc2cccc(C)c2)C1 ZINC001569890999 1065793174 /nfs/dbraw/zinc/79/31/74/1065793174.db2.gz ARMZFCSPFLIJOE-IBGZPJMESA-N 0 3 316.445 2.404 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)c1cc(C)c(Cl)cc1C ZINC001569942966 1065831286 /nfs/dbraw/zinc/83/12/86/1065831286.db2.gz IRWVVFYISRUMRF-UHFFFAOYSA-N 0 3 322.836 2.004 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001569975380 1065854220 /nfs/dbraw/zinc/85/42/20/1065854220.db2.gz LGOHSXUIADPIPS-CZUORRHYSA-N 0 3 314.857 2.118 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)ncn2C ZINC001626751171 1078261653 /nfs/dbraw/zinc/26/16/53/1078261653.db2.gz WJXJWWVXUCLYBF-UHFFFAOYSA-N 0 3 300.406 2.153 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NCc2cncn2C)CCC1 ZINC001570119839 1065931746 /nfs/dbraw/zinc/93/17/46/1065931746.db2.gz ORIAXBHUCZQEGL-UHFFFAOYSA-N 0 3 304.438 2.151 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001497216979 1065968187 /nfs/dbraw/zinc/96/81/87/1065968187.db2.gz TYFGJJSCUIWWBA-DGCLKSJQSA-N 0 3 324.856 2.316 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001570197706 1065969095 /nfs/dbraw/zinc/96/90/95/1065969095.db2.gz RSZDEMUBQIUBGY-UHFFFAOYSA-N 0 3 304.438 2.055 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001570215867 1065976055 /nfs/dbraw/zinc/97/60/55/1065976055.db2.gz PDSPKRHDMSRUGT-UHFFFAOYSA-N 0 3 304.438 2.124 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1cc(OC)ccn1 ZINC001497240737 1065983871 /nfs/dbraw/zinc/98/38/71/1065983871.db2.gz HTEZFJPHMYGFET-ZDUSSCGKSA-N 0 3 305.422 2.287 20 30 DEEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC12CC2 ZINC001497275437 1066003654 /nfs/dbraw/zinc/00/36/54/1066003654.db2.gz FKFBJIXRIWCFON-WFASDCNBSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)Cc3cncn3C)cc2C1 ZINC001570314115 1066014866 /nfs/dbraw/zinc/01/48/66/1066014866.db2.gz XGDVAQZHLMECSP-UHFFFAOYSA-N 0 3 324.428 2.171 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cccnc2)C1 ZINC001570336882 1066019924 /nfs/dbraw/zinc/01/99/24/1066019924.db2.gz OMEPMUIAIGBAHZ-WBVHZDCISA-N 0 3 317.433 2.001 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN(Cc2ncccc2C)[C@@H](C)C1 ZINC001570431393 1066059513 /nfs/dbraw/zinc/05/95/13/1066059513.db2.gz JRDDIDCVQYOXMB-HOTGVXAUSA-N 0 3 317.433 2.062 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CN(C)c2ccccc2)C[C@H]1C ZINC001570450029 1066076461 /nfs/dbraw/zinc/07/64/61/1066076461.db2.gz YLKDNVMVACSRFI-IAGOWNOFSA-N 0 3 313.445 2.115 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)c2cocc2C)CC1 ZINC001570484182 1066091773 /nfs/dbraw/zinc/09/17/73/1066091773.db2.gz FQAMPONYDKLIIW-UHFFFAOYSA-N 0 3 319.449 2.292 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1conc1C1CCCC1 ZINC001497595827 1066184259 /nfs/dbraw/zinc/18/42/59/1066184259.db2.gz LKDKRQGEWZWKBU-SREVYHEPSA-N 0 3 301.390 2.231 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cc1ccc2cnccc2c1 ZINC001497632163 1066198738 /nfs/dbraw/zinc/19/87/38/1066198738.db2.gz IGPAUMCYNSBUMY-SNAWJCMRSA-N 0 3 307.397 2.063 20 30 DEEDHN C#Cc1ccc(C(=O)NC/C=C\CNCc2cncc(C)c2)cc1 ZINC001497654586 1066213502 /nfs/dbraw/zinc/21/35/02/1066213502.db2.gz ACZHBNBMNQWHSN-PLNGDYQASA-N 0 3 319.408 2.447 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H](OCC)c1ccccc1 ZINC001497762681 1066293493 /nfs/dbraw/zinc/29/34/93/1066293493.db2.gz ABGKIQHNBXNVNI-DOOKAGJSSA-N 0 3 300.402 2.050 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1ccccc1OCC1CC1 ZINC001497764543 1066295317 /nfs/dbraw/zinc/29/53/17/1066295317.db2.gz ORESLADJMFHQTK-VOTSOKGWSA-N 0 3 312.413 2.374 20 30 DEEDHN Cc1cnccc1CC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001497818079 1066346288 /nfs/dbraw/zinc/34/62/88/1066346288.db2.gz ZQFYGHDHBBTASK-QGZVFWFLSA-N 0 3 321.424 2.079 20 30 DEEDHN CC(C)CCN(CCC#N)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001575572522 1066358050 /nfs/dbraw/zinc/35/80/50/1066358050.db2.gz LIWTYSWLDUFZTE-CYBMUJFWSA-N 0 3 303.410 2.079 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001576212960 1066523832 /nfs/dbraw/zinc/52/38/32/1066523832.db2.gz VWRZRZDMWHHKNK-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1CCCC1CCCC1 ZINC001498969930 1066990330 /nfs/dbraw/zinc/99/03/30/1066990330.db2.gz ZGHIVNAZEQGZFD-WMZOPIPTSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001499093287 1067088123 /nfs/dbraw/zinc/08/81/23/1067088123.db2.gz NSMIIRBFCGBJPX-HUUCEWRRSA-N 0 3 316.449 2.378 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@@H]1CNc2ccccc2[C@@H]1O ZINC001578445004 1067104150 /nfs/dbraw/zinc/10/41/50/1067104150.db2.gz AZKLKVZXCLXFGI-QYZOEREBSA-N 0 3 323.396 2.051 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H]2COc3cc(C)c(C)cc32)CC1 ZINC001499301101 1067174941 /nfs/dbraw/zinc/17/49/41/1067174941.db2.gz AKRCPBASZVBOFO-MRXNPFEDSA-N 0 3 312.413 2.041 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC001267006940 1078495640 /nfs/dbraw/zinc/49/56/40/1078495640.db2.gz XONCUYUXBHOMKP-INIZCTEOSA-N 0 3 313.401 2.224 20 30 DEEDHN COc1ccc(Cl)c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC001579218869 1067262682 /nfs/dbraw/zinc/26/26/82/1067262682.db2.gz ZKLCYXCAFQEFAA-CSJGVYOVSA-N 0 3 319.792 2.426 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)OCC(C)C)C2)CC1 ZINC001499579105 1067266850 /nfs/dbraw/zinc/26/68/50/1067266850.db2.gz YVAKDKPTXVARPC-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN Cc1cc(C(=O)Nc2cnc3c(c2)CNCC3)cc(C)c1C#N ZINC001579567930 1067374001 /nfs/dbraw/zinc/37/40/01/1067374001.db2.gz NAFRECXXPJBGDU-UHFFFAOYSA-N 0 3 306.369 2.468 20 30 DEEDHN N#CC1(CNC(=O)c2cccc3c2OCCNC3)CCCCC1 ZINC001580038926 1067480220 /nfs/dbraw/zinc/48/02/20/1067480220.db2.gz WMGOUCRBZQLMNZ-UHFFFAOYSA-N 0 3 313.401 2.372 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC[C@]1(c2ccccc2)CCCO1 ZINC001580050577 1067482359 /nfs/dbraw/zinc/48/23/59/1067482359.db2.gz FSVMZTQFHCWPOQ-WMZOPIPTSA-N 0 3 315.417 2.220 20 30 DEEDHN N#Cc1c(F)cccc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001580057151 1067484868 /nfs/dbraw/zinc/48/48/68/1067484868.db2.gz NAPRJBCACXFQFQ-KRWDZBQOSA-N 0 3 309.344 2.314 20 30 DEEDHN O=C(N[C@H](CNCC#Cc1ccccc1)C1CC1)c1cccnc1 ZINC001483539919 1078583401 /nfs/dbraw/zinc/58/34/01/1078583401.db2.gz IKTGYSTXOGXRQO-LJQANCHMSA-N 0 3 319.408 2.231 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1cn(C)nc1C)C1CC1 ZINC001483579256 1078609429 /nfs/dbraw/zinc/60/94/29/1078609429.db2.gz PLLWVTLLSXBGQP-INIZCTEOSA-N 0 3 318.465 2.315 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@H](C)NCc2nccnc2C)C1 ZINC001267145852 1078611874 /nfs/dbraw/zinc/61/18/74/1078611874.db2.gz UHMGIWJNNNTDQD-ZDUSSCGKSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@@H](C)n1ccc(C)n1 ZINC001570537206 1067994112 /nfs/dbraw/zinc/99/41/12/1067994112.db2.gz ZGJIDZOIWBPCNX-HZPDHXFCSA-N 0 3 304.438 2.251 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001570544943 1067997279 /nfs/dbraw/zinc/99/72/79/1067997279.db2.gz HVOICMMHTGPDCJ-CZUORRHYSA-N 0 3 318.465 2.314 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)Cn1c(C)nc2ccccc21 ZINC001640015617 1078637183 /nfs/dbraw/zinc/63/71/83/1078637183.db2.gz FPPBRMDAABPBMP-UHFFFAOYSA-N 0 3 314.433 2.311 20 30 DEEDHN CO[C@H](CN(C)[C@@H](C)CNC(=O)C#CC1CC1)c1ccccc1 ZINC001570710818 1068084334 /nfs/dbraw/zinc/08/43/34/1068084334.db2.gz PVNIIYUNWHIXBB-MAUKXSAKSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001570723517 1068094891 /nfs/dbraw/zinc/09/48/91/1068094891.db2.gz FHIDEXRIBXMZOR-JQHSSLGASA-N 0 3 316.445 2.399 20 30 DEEDHN C=CCC[NH2+]CC1(NC(=O)c2c(C)nc[n-]c2=O)CCCCC1 ZINC001570800178 1068120762 /nfs/dbraw/zinc/12/07/62/1068120762.db2.gz WKXTYSBELSESDP-UHFFFAOYSA-N 0 3 318.421 2.089 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001570828694 1068132582 /nfs/dbraw/zinc/13/25/82/1068132582.db2.gz RKXHVODDBVYOMO-HOCLYGCPSA-N 0 3 304.438 2.070 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001570842111 1068137471 /nfs/dbraw/zinc/13/74/71/1068137471.db2.gz ZGZKUJCUAMYUAX-YJBOKZPZSA-N 0 3 306.450 2.372 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CCc2cncc(C)c2)C(C)(C)C1 ZINC001570898856 1068154606 /nfs/dbraw/zinc/15/46/06/1068154606.db2.gz COEQGRLFZSCQAM-KRWDZBQOSA-N 0 3 313.445 2.173 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CN(CCc2cnn(C)c2)CC1(C)C ZINC001570902223 1068156130 /nfs/dbraw/zinc/15/61/30/1068156130.db2.gz NXMCARQSBTVHFU-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001267198999 1078660212 /nfs/dbraw/zinc/66/02/12/1078660212.db2.gz GMXQDDNMTVGUMD-KRWDZBQOSA-N 0 3 301.434 2.280 20 30 DEEDHN C#CCCN(C)CCNC(=O)COc1cccc(C(C)C)c1 ZINC001267198074 1078659197 /nfs/dbraw/zinc/65/91/97/1078659197.db2.gz CPBQGSYWRAVSBR-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001267206129 1078665136 /nfs/dbraw/zinc/66/51/36/1078665136.db2.gz OAEZTPCZSLGWKA-OAHLLOKOSA-N 0 3 308.809 2.268 20 30 DEEDHN C[C@@H](CCCNCc1cc(C2CC2)no1)NC(=O)C#CC1CC1 ZINC001571254577 1068205358 /nfs/dbraw/zinc/20/53/58/1068205358.db2.gz YIUFRIMHAXRWBY-ZDUSSCGKSA-N 0 3 315.417 2.340 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@@H](N[C@H](C)c1nncn1C)C(C)C ZINC001571350806 1068240882 /nfs/dbraw/zinc/24/08/82/1068240882.db2.gz VAKCCFBSZVCOFR-ZIAGYGMSSA-N 0 3 321.469 2.209 20 30 DEEDHN COc1ccc(C)cc1CN[C@H](C)CN(C)C(=O)C#CC1CC1 ZINC001571386710 1068268296 /nfs/dbraw/zinc/26/82/96/1068268296.db2.gz GXHYKKMUKDECQQ-OAHLLOKOSA-N 0 3 314.429 2.354 20 30 DEEDHN C[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)CN1C(=O)C#CC1CC1 ZINC001571476676 1068329062 /nfs/dbraw/zinc/32/90/62/1068329062.db2.gz HXGNIRJCGYPDFS-HNAYVOBHSA-N 0 3 324.399 2.170 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001267240369 1078691916 /nfs/dbraw/zinc/69/19/16/1078691916.db2.gz JYSYKPQWHOLWRC-KRWDZBQOSA-N 0 3 308.397 2.091 20 30 DEEDHN CCN(CCNC(=O)C#CC(C)C)C[C@H](OC)c1ccccc1 ZINC001267241472 1078692544 /nfs/dbraw/zinc/69/25/44/1078692544.db2.gz YPTWFTSJZDCDSR-SFHVURJKSA-N 0 3 316.445 2.472 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001571483276 1068338280 /nfs/dbraw/zinc/33/82/80/1068338280.db2.gz OYLAAZDFMISCAI-RDJZCZTQSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCCOCC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@@H]1C ZINC001571492774 1068349559 /nfs/dbraw/zinc/34/95/59/1068349559.db2.gz IUWBOJFHSQLRJR-GXTWGEPZSA-N 0 3 323.462 2.123 20 30 DEEDHN C=C1CC(C)(C(=O)NCCN(CC)CCOCC(F)(F)F)C1 ZINC001267252010 1078698941 /nfs/dbraw/zinc/69/89/41/1078698941.db2.gz YNMJOSGYAJYXNC-UHFFFAOYSA-N 0 3 322.371 2.360 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC001571512422 1068372848 /nfs/dbraw/zinc/37/28/48/1068372848.db2.gz GGNPOHLKRRYKKI-HOCLYGCPSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCCc2nc(CC)no2)[C@H]1C ZINC001571524783 1068395496 /nfs/dbraw/zinc/39/54/96/1068395496.db2.gz KGEYOAUTUYKSNG-ZIAGYGMSSA-N 0 3 320.437 2.110 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CC(N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001511958149 1068440458 /nfs/dbraw/zinc/44/04/58/1068440458.db2.gz PGMSNHLLNBHRRP-YMAMQOFZSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CN(CCNC(=O)C1CCC(F)CC1)CCOC ZINC001571641738 1068454975 /nfs/dbraw/zinc/45/49/75/1068454975.db2.gz RZJBXNPVEBGYJV-UHFFFAOYSA-N 0 3 300.418 2.155 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2[nH]ccc2c1)CCOC ZINC001571641329 1068455952 /nfs/dbraw/zinc/45/59/52/1068455952.db2.gz BEZCGKKPPNKRLG-UHFFFAOYSA-N 0 3 315.417 2.422 20 30 DEEDHN C=CCN1CC=C(CNC(=O)Cc2n[nH]c3ccccc32)CC1 ZINC001571700606 1068489751 /nfs/dbraw/zinc/48/97/51/1068489751.db2.gz IYFVOWOVRSVWLJ-UHFFFAOYSA-N 0 3 310.401 2.040 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001267280973 1078727461 /nfs/dbraw/zinc/72/74/61/1078727461.db2.gz 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/nfs/dbraw/zinc/78/26/74/1078782674.db2.gz HYJATKRKANKKEG-MRXNPFEDSA-N 0 3 322.449 2.118 20 30 DEEDHN Cc1ccc(F)cc1CNCCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001267364133 1078796079 /nfs/dbraw/zinc/79/60/79/1078796079.db2.gz KUQIPUWRXCZKLM-UHFFFAOYSA-N 0 3 314.364 2.196 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC001267381672 1078814248 /nfs/dbraw/zinc/81/42/48/1078814248.db2.gz FXZNRHULCHTNCS-WMLDXEAASA-N 0 3 312.417 2.157 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCN1CC[C@H](C)F ZINC001483696597 1078815726 /nfs/dbraw/zinc/81/57/26/1078815726.db2.gz LILIBYLIYSKCFY-YOEHRIQHSA-N 0 3 302.393 2.149 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](CC)NCc1cc(C)ccc1F ZINC001267805563 1079507028 /nfs/dbraw/zinc/50/70/28/1079507028.db2.gz QHOPDQOVOIFQIT-GDBMZVCRSA-N 0 3 320.408 2.157 20 30 DEEDHN CC(C)(C)[C@@H](N)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001573458168 1069004654 /nfs/dbraw/zinc/00/46/54/1069004654.db2.gz QMYFVHMUFDTHIW-INIZCTEOSA-N 0 3 315.417 2.301 20 30 DEEDHN CC[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)[C@H](CC)CN1 ZINC001573718203 1069079043 /nfs/dbraw/zinc/07/90/43/1069079043.db2.gz JOPMLWNGRUTUGC-TZMCWYRMSA-N 0 3 301.394 2.142 20 30 DEEDHN C=CCCC[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C(=O)OC ZINC001644822436 1078863693 /nfs/dbraw/zinc/86/36/93/1078863693.db2.gz DQWWTOMXYWRNJS-LSDHHAIUSA-N 0 3 310.438 2.121 20 30 DEEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)c2cc(OC)no2)C1 ZINC001267454030 1078863756 /nfs/dbraw/zinc/86/37/56/1078863756.db2.gz JQHTZKITUVLJOV-CYBMUJFWSA-N 0 3 307.394 2.186 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)Cc2ccncc2C)C1 ZINC001267459329 1078868236 /nfs/dbraw/zinc/86/82/36/1078868236.db2.gz IOYIZBUBRGBHPH-SFHVURJKSA-N 0 3 313.445 2.269 20 30 DEEDHN N#Cc1ccccc1CNCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001272429325 1078868459 /nfs/dbraw/zinc/86/84/59/1078868459.db2.gz FCSMEBYZNICCAX-KRWDZBQOSA-N 0 3 321.424 2.300 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)c(F)cc1NC(C)=O ZINC001574857373 1069279138 /nfs/dbraw/zinc/27/91/38/1069279138.db2.gz 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/nfs/dbraw/zinc/01/69/13/1079016913.db2.gz WGQUWWYFULFLMV-OAHLLOKOSA-N 0 3 300.402 2.297 20 30 DEEDHN N#Cc1ccc(CC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC001649030033 1079056542 /nfs/dbraw/zinc/05/65/42/1079056542.db2.gz WUHZJRKZSWPDSJ-GOSISDBHSA-N 0 3 321.380 2.400 20 30 DEEDHN N#Cc1sccc1N1CCN(CC2CCC(O)CC2)CC1 ZINC001645951151 1079059371 /nfs/dbraw/zinc/05/93/71/1079059371.db2.gz YAZWBIPRNDARKB-UHFFFAOYSA-N 0 3 305.447 2.293 20 30 DEEDHN CC[C@H](F)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001483758298 1079076523 /nfs/dbraw/zinc/07/65/23/1079076523.db2.gz RYUUVFOEFUEKQO-ZDUSSCGKSA-N 0 3 307.344 2.184 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1C ZINC001272667242 1079085914 /nfs/dbraw/zinc/08/59/14/1079085914.db2.gz NJDMFHQPIPMAIZ-IAGOWNOFSA-N 0 3 300.377 2.333 20 30 DEEDHN C#Cc1ccc(C(=O)NCc2ccccc2CN(C)CCO)cc1 ZINC001272675844 1079112176 /nfs/dbraw/zinc/11/21/76/1079112176.db2.gz STSGZVGFYOGAKP-UHFFFAOYSA-N 0 3 322.408 2.022 20 30 DEEDHN C=CCC1(C(=O)NCc2ccccc2CN(C)CCO)CCC1 ZINC001272675491 1079112735 /nfs/dbraw/zinc/11/27/35/1079112735.db2.gz NSZLFOSFXOQNCY-UHFFFAOYSA-N 0 3 316.445 2.473 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001481046599 1079123741 /nfs/dbraw/zinc/12/37/41/1079123741.db2.gz XMKBUMQOEBSGCA-HOTGVXAUSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051733 1079129626 /nfs/dbraw/zinc/12/96/26/1079129626.db2.gz GLVHFTASHAHZMU-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001481051733 1079129635 /nfs/dbraw/zinc/12/96/35/1079129635.db2.gz GLVHFTASHAHZMU-GXTWGEPZSA-N 0 3 318.421 2.040 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cnc(C)cn2)C[C@H]1C ZINC001483898300 1079170646 /nfs/dbraw/zinc/17/06/46/1079170646.db2.gz IJDJAKLSBKBJLQ-CABCVRRESA-N 0 3 302.422 2.220 20 30 DEEDHN Cc1nsc(C)c1CNC[C@@H]1CCCN1C(=O)C#CC(C)C ZINC001483931770 1079194032 /nfs/dbraw/zinc/19/40/32/1079194032.db2.gz RDLMTHMWIFWZAB-HNNXBMFYSA-N 0 3 319.474 2.500 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001481124266 1079223780 /nfs/dbraw/zinc/22/37/80/1079223780.db2.gz OEWKNQPFIJLWHU-OLZOCXBDSA-N 0 3 306.356 2.140 20 30 DEEDHN C#CCN(C(=O)CCCC(C)C)C1CCN(CCOC)CC1 ZINC001483987371 1079227436 /nfs/dbraw/zinc/22/74/36/1079227436.db2.gz NKURVDBCGGDRKB-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(CCc1ccccc1F)C1CC1 ZINC001481163151 1079274520 /nfs/dbraw/zinc/27/45/20/1079274520.db2.gz RFDPLIFOZXAMES-ZDUSSCGKSA-N 0 3 303.381 2.108 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCc3ccccc3NC2=O)cc1 ZINC001646522324 1074470355 /nfs/dbraw/zinc/47/03/55/1074470355.db2.gz NFCLHXRJAMDYHA-ZWKOTPCHSA-N 0 3 321.380 2.135 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001484072662 1079286352 /nfs/dbraw/zinc/28/63/52/1079286352.db2.gz ZDJBFUJHAAIHAR-LJQANCHMSA-N 0 3 314.429 2.286 20 30 DEEDHN CN1C(=O)CCC[C@@H]1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC001646881413 1074669066 /nfs/dbraw/zinc/66/90/66/1074669066.db2.gz ZERUGYSMKGCQOB-CMPLNLGQSA-N 0 3 303.387 2.208 20 30 DEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC001267631722 1079314505 /nfs/dbraw/zinc/31/45/05/1079314505.db2.gz CMMGWKUUCMRCPQ-DLBZAZTESA-N 0 3 321.465 2.004 20 30 DEEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001267632849 1079315492 /nfs/dbraw/zinc/31/54/92/1079315492.db2.gz RBVDLPZLSJVTHF-KRWDZBQOSA-N 0 3 323.396 2.120 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001484146624 1079323064 /nfs/dbraw/zinc/32/30/64/1079323064.db2.gz IPGDLWRAPLSQNQ-OEXSFMSHSA-N 0 3 300.446 2.130 20 30 DEEDHN CS[C@H]1CC[C@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC001647094659 1074791124 /nfs/dbraw/zinc/79/11/24/1074791124.db2.gz WPEZKNJMEFRUBI-HOTGVXAUSA-N 0 3 317.458 2.390 20 30 DEEDHN C#CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001484154863 1079328673 /nfs/dbraw/zinc/32/86/73/1079328673.db2.gz VSFYRYCODGHZNJ-GOSISDBHSA-N 0 3 300.402 2.247 20 30 DEEDHN C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001484154863 1079328676 /nfs/dbraw/zinc/32/86/76/1079328676.db2.gz VSFYRYCODGHZNJ-GOSISDBHSA-N 0 3 300.402 2.247 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001484165156 1079339110 /nfs/dbraw/zinc/33/91/10/1079339110.db2.gz NHZYJDGSMWPHGY-YJBOKZPZSA-N 0 3 318.465 2.318 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001559797299 1075128752 /nfs/dbraw/zinc/12/87/52/1075128752.db2.gz MMBIKFMFFXTJGP-QGZVFWFLSA-N 0 3 319.424 2.371 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001565834964 1075193713 /nfs/dbraw/zinc/19/37/13/1075193713.db2.gz FGUUDXICLGILGP-ZWKOTPCHSA-N 0 3 315.461 2.398 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001565835163 1075193753 /nfs/dbraw/zinc/19/37/53/1075193753.db2.gz IKFLPABMFPKZQT-AEFFLSMTSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001565849711 1075196786 /nfs/dbraw/zinc/19/67/86/1075196786.db2.gz MWDAGQSHSAOKBI-YQQAZPJKSA-N 0 3 316.449 2.372 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)CCCOC)C2)CC1 ZINC001565921174 1075205882 /nfs/dbraw/zinc/20/58/82/1075205882.db2.gz AZIIXYJXYZHLJF-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CC2(C[C@H]1C)CCN(CC#CC)CC2 ZINC001565923403 1075206658 /nfs/dbraw/zinc/20/66/58/1075206658.db2.gz YOUVBKWNJJAUSH-SJLPKXTDSA-N 0 3 318.461 2.040 20 30 DEEDHN C=C(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)CCC)n1 ZINC001565991288 1075212950 /nfs/dbraw/zinc/21/29/50/1075212950.db2.gz BNXHPZOHEGUFOK-UHFFFAOYSA-N 0 3 320.437 2.290 20 30 DEEDHN C#CCCN1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)=O)C(C)(C)[C@@H]21 ZINC001565992156 1075213390 /nfs/dbraw/zinc/21/33/90/1075213390.db2.gz CZEQGATYLAMUCI-KBAYOESNSA-N 0 3 318.461 2.374 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ncc(OC)cc1F ZINC001566122083 1075232146 /nfs/dbraw/zinc/23/21/46/1075232146.db2.gz JASFBZCXWXDEJB-ZDUSSCGKSA-N 0 3 321.396 2.342 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1cc2occc2s1 ZINC001566490842 1075258790 /nfs/dbraw/zinc/25/87/90/1075258790.db2.gz DYNSCNBSJFQOCB-UHFFFAOYSA-N 0 3 320.414 2.196 20 30 DEEDHN C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001566524933 1075269392 /nfs/dbraw/zinc/26/93/92/1075269392.db2.gz GDMHMHOALXPHPV-GDBMZVCRSA-N 0 3 300.402 2.388 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H]1CCCc2cccnc21)C1CC1 ZINC001566593787 1075292023 /nfs/dbraw/zinc/29/20/23/1075292023.db2.gz HHNGQNUKDPBTFC-KRWDZBQOSA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccnc1OC(C)C)C1CC1 ZINC001566603845 1075295199 /nfs/dbraw/zinc/29/51/99/1075295199.db2.gz FREKFCPMYDLILI-UHFFFAOYSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)CCC(F)(F)F)C1 ZINC001566619404 1075298386 /nfs/dbraw/zinc/29/83/86/1075298386.db2.gz JBWPVIKJRKZIIS-LBPRGKRZSA-N 0 3 308.344 2.112 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CCCN(C[C@@H](C)O)C2)CCCCC1 ZINC001566630818 1075301325 /nfs/dbraw/zinc/30/13/25/1075301325.db2.gz ZFASXYPLBYDQRI-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)/C=C(\C)C2CC2)CC1 ZINC001566637866 1075302842 /nfs/dbraw/zinc/30/28/42/1075302842.db2.gz NEBUFNJMFSLKCZ-DTQAZKPQSA-N 0 3 305.466 2.043 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCN1CCN(CC(=C)C)CC1 ZINC001566643884 1075304015 /nfs/dbraw/zinc/30/40/15/1075304015.db2.gz VCHZOYKCLDFSFD-GOSISDBHSA-N 0 3 307.482 2.289 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001566691515 1075318793 /nfs/dbraw/zinc/31/87/93/1075318793.db2.gz OHGOGQHAEWQAEB-DLBZAZTESA-N 0 3 318.461 2.186 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 ZINC001566778592 1075342174 /nfs/dbraw/zinc/34/21/74/1075342174.db2.gz OTJSAQOKGSFXDH-ZDUSSCGKSA-N 0 3 300.333 2.399 20 30 DEEDHN Cc1ccoc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001566828952 1075355039 /nfs/dbraw/zinc/35/50/39/1075355039.db2.gz WMOXMHRQKLLVEJ-CALCHBBNSA-N 0 3 308.381 2.490 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001566840543 1075358545 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CC(C)C#CC(=O)NC[C@@H](C)NCc1cnn(-c2ccccc2)c1 ZINC001567014695 1075415666 /nfs/dbraw/zinc/41/56/66/1075415666.db2.gz DNJFKLKPMOBXDY-MRXNPFEDSA-N 0 3 324.428 2.126 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001567052427 1075424028 /nfs/dbraw/zinc/42/40/28/1075424028.db2.gz DFVNXYFVWXBVKA-GJZGRUSLSA-N 0 3 320.408 2.063 20 30 DEEDHN C=C(Cl)CNCCc1ccc(CNC(=O)[C@H]2CCOC2)cc1 ZINC001567181693 1075455249 /nfs/dbraw/zinc/45/52/49/1075455249.db2.gz WSZNKYRHJDITAO-INIZCTEOSA-N 0 3 322.836 2.224 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001567279054 1075486421 /nfs/dbraw/zinc/48/64/21/1075486421.db2.gz ITGXSSUAFGVOTA-SFHVURJKSA-N 0 3 304.434 2.179 20 30 DEEDHN CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001267762464 1079465467 /nfs/dbraw/zinc/46/54/67/1079465467.db2.gz QNXSSWFAICUOKE-CVEARBPZSA-N 0 3 320.477 2.384 20 30 DEEDHN CC(C)C#CC(=O)N(C)[C@H]1CCN(CCc2cccs2)C1 ZINC001267763596 1079466124 /nfs/dbraw/zinc/46/61/24/1079466124.db2.gz 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ZINC001583755291 1076274730 /nfs/dbraw/zinc/27/47/30/1076274730.db2.gz AJLKALFEFFZHTG-CVEARBPZSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001588596693 1076457477 /nfs/dbraw/zinc/45/74/77/1076457477.db2.gz XWLSQMHRJOALKY-UHFFFAOYSA-N 0 3 311.393 2.350 20 30 DEEDHN C=CCCCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001588596693 1076457480 /nfs/dbraw/zinc/45/74/80/1076457480.db2.gz XWLSQMHRJOALKY-UHFFFAOYSA-N 0 3 311.393 2.350 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](CC)NCc1cc(C)ccc1F ZINC001267805565 1079506941 /nfs/dbraw/zinc/50/69/41/1079506941.db2.gz QHOPDQOVOIFQIT-HOCLYGCPSA-N 0 3 320.408 2.157 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001267816912 1079512930 /nfs/dbraw/zinc/51/29/30/1079512930.db2.gz SQNDPSOMNMLKLM-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)C1(C)CCCCC1 ZINC001267818922 1079513540 /nfs/dbraw/zinc/51/35/40/1079513540.db2.gz QEBBDHFMBIKITM-HUUCEWRRSA-N 0 3 323.481 2.132 20 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ZINC001484553187 1079657378 /nfs/dbraw/zinc/65/73/78/1079657378.db2.gz AOKMFSRINNZIGG-RHSMWYFYSA-N 0 3 302.418 2.346 20 30 DEEDHN CCC[C@H]1CCC[C@H]1C(=O)NCC1(NCC#CCOC)CCC1 ZINC001484640034 1079706095 /nfs/dbraw/zinc/70/60/95/1079706095.db2.gz DKWVQFPEWBIOJS-DLBZAZTESA-N 0 3 320.477 2.481 20 30 DEEDHN C=C1CCC(C(=O)NCC2(NCc3ccnn3C)CCC2)CC1 ZINC001484650465 1079708407 /nfs/dbraw/zinc/70/84/07/1079708407.db2.gz WLPMHFNGZITZHZ-UHFFFAOYSA-N 0 3 316.449 2.295 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCC3(CCC3)CO2)CCC1 ZINC001484659658 1079715090 /nfs/dbraw/zinc/71/50/90/1079715090.db2.gz PCTCFEDSSFNBET-INIZCTEOSA-N 0 3 318.461 2.378 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOCc2ccccc2)CCC1 ZINC001484663834 1079717678 /nfs/dbraw/zinc/71/76/78/1079717678.db2.gz INSRXAQKOUGCFS-UHFFFAOYSA-N 0 3 314.429 2.245 20 30 DEEDHN Cc1ncc(CN(CCCNC(=O)[C@@H](C)C#N)C(C)C)s1 ZINC001481347327 1079740248 /nfs/dbraw/zinc/74/02/48/1079740248.db2.gz OFPJEBSXLRCXOQ-LBPRGKRZSA-N 0 3 308.451 2.328 20 30 DEEDHN CCC(=O)N(C)CCCN(C)Cc1ccc(OC)c(C#N)c1 ZINC001484729922 1079754018 /nfs/dbraw/zinc/75/40/18/1079754018.db2.gz ZULPKRCNVWTJOU-UHFFFAOYSA-N 0 3 303.406 2.257 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)CCCC2CC2)CC1 ZINC001484720099 1079755581 /nfs/dbraw/zinc/75/55/81/1079755581.db2.gz JHVCVXAZKVSQKE-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(OC)c(F)c1 ZINC001484746440 1079764453 /nfs/dbraw/zinc/76/44/53/1079764453.db2.gz SHLGGCFICJAWND-UHFFFAOYSA-N 0 3 306.381 2.252 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)COCC ZINC001484822291 1079815596 /nfs/dbraw/zinc/81/55/96/1079815596.db2.gz OFLKFGJRUVSEQX-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN CC#CCN[C@]1(CO)CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001484853917 1079826004 /nfs/dbraw/zinc/82/60/04/1079826004.db2.gz JOQOKIVRRQZWKH-SJLPKXTDSA-N 0 3 308.466 2.025 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001481471002 1079925150 /nfs/dbraw/zinc/92/51/50/1079925150.db2.gz IYMZJTHMCOBKGB-ROUUACIJSA-N 0 3 321.509 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ZINC001268184494 1080174686 /nfs/dbraw/zinc/17/46/86/1080174686.db2.gz BBOHBPDRFDIJBU-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC[C@H](NCc2cccc3c2OC(F)(F)O3)C1 ZINC001658596595 1080212450 /nfs/dbraw/zinc/21/24/50/1080212450.db2.gz ICDOKJQTLLUAOZ-ZDUSSCGKSA-N 0 3 308.328 2.195 20 30 DEEDHN COC(=O)c1cc(CNCCNc2ncccc2C#N)cs1 ZINC001659139866 1080231753 /nfs/dbraw/zinc/23/17/53/1080231753.db2.gz SFOKWCXQFUZEGB-UHFFFAOYSA-N 0 3 316.386 2.003 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC1CN(CCCCCF)C1 ZINC001481657368 1080259931 /nfs/dbraw/zinc/25/99/31/1080259931.db2.gz WLFMZYOFYFNJLR-UHFFFAOYSA-N 0 3 316.420 2.398 20 30 DEEDHN CC(C)c1cccc(CN(C)CCCNC(=O)[C@@H](C)C#N)n1 ZINC001660081609 1080261855 /nfs/dbraw/zinc/26/18/55/1080261855.db2.gz VMIXRBFNHGUASI-AWEZNQCLSA-N 0 3 302.422 2.303 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001660174184 1080281226 /nfs/dbraw/zinc/28/12/26/1080281226.db2.gz NANDFELPUQFXNJ-QGZVFWFLSA-N 0 3 314.429 2.186 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001485538816 1080286807 /nfs/dbraw/zinc/28/68/07/1080286807.db2.gz HVDMARHRKQWHLM-QAPCUYQASA-N 0 3 314.429 2.224 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2ccccc2Cl)C1 ZINC001485534557 1080289758 /nfs/dbraw/zinc/28/97/58/1080289758.db2.gz DWMYUHDHWBLOKP-ZDUSSCGKSA-N 0 3 304.821 2.342 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)C)cn1 ZINC001481681903 1080291426 /nfs/dbraw/zinc/29/14/26/1080291426.db2.gz SSWLKCDGJNHBTC-ROUUACIJSA-N 0 3 311.429 2.398 20 30 DEEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCCO1 ZINC001481678488 1080295238 /nfs/dbraw/zinc/29/52/38/1080295238.db2.gz UVGTXXKXUBVQBS-BZSNNMDCSA-N 0 3 318.461 2.424 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc(N2CCCC2)c1 ZINC001660345479 1080314360 /nfs/dbraw/zinc/31/43/60/1080314360.db2.gz GYHUHXBXPGORED-UHFFFAOYSA-N 0 3 313.445 2.362 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(C[C@@H](OC)c2ccccc2)C1 ZINC001481701343 1080319326 /nfs/dbraw/zinc/31/93/26/1080319326.db2.gz OPNADBLIVXDTDM-QZTJIDSGSA-N 0 3 314.429 2.368 20 30 DEEDHN CCO[C@@H](CN1CC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 ZINC001481702395 1080321069 /nfs/dbraw/zinc/32/10/69/1080321069.db2.gz QVQYTZJIGGNKSM-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN CCO[C@H](CN1CC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 ZINC001481702397 1080321331 /nfs/dbraw/zinc/32/13/31/1080321331.db2.gz QVQYTZJIGGNKSM-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1C[C@@H]2C(CNC(=O)C/C=C/Cc3ccccc3)[C@@H]2C1 ZINC001485605106 1080324932 /nfs/dbraw/zinc/32/49/32/1080324932.db2.gz USQPAUTYJRMTTQ-BQPQQLJHSA-N 0 3 308.425 2.103 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@H]1CN(CCO)CC1(C)C)c1ccccc1 ZINC001485587384 1080326411 /nfs/dbraw/zinc/32/64/11/1080326411.db2.gz UXSXMEARWUALEP-SJORKVTESA-N 0 3 316.445 2.165 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cnc(CC(C)C)s1 ZINC001660416604 1080326922 /nfs/dbraw/zinc/32/69/22/1080326922.db2.gz IMWZVWJXKYNIKD-UHFFFAOYSA-N 0 3 307.463 2.417 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@H](C)NCc2cc(C)ns2)C1 ZINC001485637160 1080336671 /nfs/dbraw/zinc/33/66/71/1080336671.db2.gz PXEHKLHFXFSKBM-DZGCQCFKSA-N 0 3 323.462 2.123 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc2ccsc2[nH]1)C1CC1 ZINC001660708380 1080382199 /nfs/dbraw/zinc/38/21/99/1080382199.db2.gz VZVBTGDPEAUFJP-UHFFFAOYSA-N 0 3 301.415 2.447 20 30 DEEDHN C#CCN(CCCNC(=O)c1noc2c1CCCCC2)C1CC1 ZINC001660727075 1080387611 /nfs/dbraw/zinc/38/76/11/1080387611.db2.gz OKYCFUJNNDFQCP-UHFFFAOYSA-N 0 3 315.417 2.161 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC001481732612 1080401389 /nfs/dbraw/zinc/40/13/89/1080401389.db2.gz RVGCHXIKUJZDAK-GOSISDBHSA-N 0 3 315.461 2.404 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@@H](C)C(=O)NCC(C)C)CC1 ZINC001485755010 1080407865 /nfs/dbraw/zinc/40/78/65/1080407865.db2.gz WYRVDDNJWKDLPD-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001660939238 1080417226 /nfs/dbraw/zinc/41/72/26/1080417226.db2.gz UYRDGDZTKPWVTN-SJORKVTESA-N 0 3 307.482 2.123 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(C[C@H](O)CCc2ccccc2)C1 ZINC001660965868 1080419644 /nfs/dbraw/zinc/41/96/44/1080419644.db2.gz JBRXBTIPIIBDDL-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCN[C@H](C)c2cnccn2)C1 ZINC001268398157 1080423465 /nfs/dbraw/zinc/42/34/65/1080423465.db2.gz HBRWJRDBKYSRGD-UONOGXRCSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ocnc1C(F)F ZINC001268406800 1080435524 /nfs/dbraw/zinc/43/55/24/1080435524.db2.gz ZMVWCIMHTYGYBI-MRVPVSSYSA-N 0 3 307.728 2.463 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C(C)(C)C(C)(F)F)C1 ZINC001481749261 1080437076 /nfs/dbraw/zinc/43/70/76/1080437076.db2.gz PEFUSXVEAYFXOS-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCN1CCC(N(CCC)C(=O)c2ccnc(C)n2)CC1 ZINC001661097121 1080441635 /nfs/dbraw/zinc/44/16/35/1080441635.db2.gz JKRZJXQJAVKHMG-UHFFFAOYSA-N 0 3 302.422 2.288 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768479 1080484866 /nfs/dbraw/zinc/48/48/66/1080484866.db2.gz PHKPKSVTGATNDZ-KGLIPLIRSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768479 1080484869 /nfs/dbraw/zinc/48/48/69/1080484869.db2.gz PHKPKSVTGATNDZ-KGLIPLIRSA-N 0 3 318.421 2.073 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC2CC(OCC)C2)C1 ZINC001481772850 1080487795 /nfs/dbraw/zinc/48/77/95/1080487795.db2.gz KZFOIFMPHKXWOB-AQFXKWCLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)C2(CCOCC)CCC2)C1 ZINC001661719713 1080512088 /nfs/dbraw/zinc/51/20/88/1080512088.db2.gz UYWQMUXBZHYVQH-MRXNPFEDSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2cn(C)nc2C)C1 ZINC001481846745 1080544471 /nfs/dbraw/zinc/54/44/71/1080544471.db2.gz GZZFZUKFHZVJMI-OAHLLOKOSA-N 0 3 304.438 2.069 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1ccnn1C ZINC001661950414 1080549351 /nfs/dbraw/zinc/54/93/51/1080549351.db2.gz PRTLLMZNNZABPF-MRXNPFEDSA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CCc2ccoc2)C1 ZINC001661989554 1080557702 /nfs/dbraw/zinc/55/77/02/1080557702.db2.gz OXLFMAQJGDLVMP-WBVHZDCISA-N 0 3 302.418 2.452 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2cccc(OC)c2)C1 ZINC001662012194 1080561402 /nfs/dbraw/zinc/56/14/02/1080561402.db2.gz RVLOKIMNASTXGX-NVXWUHKLSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCCC(=O)NC1CCC(NCc2conc2C)CC1 ZINC001662103866 1080569393 /nfs/dbraw/zinc/56/93/93/1080569393.db2.gz LRZONDSGZLTMKC-UHFFFAOYSA-N 0 3 303.406 2.304 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001662207698 1080583595 /nfs/dbraw/zinc/58/35/95/1080583595.db2.gz NZGDHZQZLQABBM-OAHLLOKOSA-N 0 3 302.418 2.401 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)NCc1cnn(-c2ccccc2)c1 ZINC001662207738 1080583909 /nfs/dbraw/zinc/58/39/09/1080583909.db2.gz OTPBVWDBZYZGIB-MRXNPFEDSA-N 0 3 324.428 2.270 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccnc(OC)c1)C1CC1 ZINC001481934988 1080622918 /nfs/dbraw/zinc/62/29/18/1080622918.db2.gz NZTLCWUSCXLTGS-INIZCTEOSA-N 0 3 323.824 2.331 20 30 DEEDHN CCc1nocc1CNCC[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001481972684 1080656699 /nfs/dbraw/zinc/65/66/99/1080656699.db2.gz MRABQVMWGYPYPN-ZIAGYGMSSA-N 0 3 318.421 2.115 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 ZINC001662872811 1080670496 /nfs/dbraw/zinc/67/04/96/1080670496.db2.gz SYNYYBURJKXLME-MRXNPFEDSA-N 0 3 317.433 2.170 20 30 DEEDHN Cc1csc(CNCCC2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001481996135 1080677562 /nfs/dbraw/zinc/67/75/62/1080677562.db2.gz BPWZAOUKSKXKRO-LBPRGKRZSA-N 0 3 320.462 2.330 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001663634697 1080795050 /nfs/dbraw/zinc/79/50/50/1080795050.db2.gz XEJCCWRMPCLXKC-MRXNPFEDSA-N 0 3 323.440 2.480 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ncn2ccc(C)cc12 ZINC001663668257 1080800826 /nfs/dbraw/zinc/80/08/26/1080800826.db2.gz POZWWTQBXPYRGW-UHFFFAOYSA-N 0 3 312.417 2.108 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1noc2c1CCCCC2 ZINC001663684500 1080802914 /nfs/dbraw/zinc/80/29/14/1080802914.db2.gz YQPPUCWKSQGSED-UHFFFAOYSA-N 0 3 317.433 2.409 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CCCn1cccc1 ZINC001664386621 1080902798 /nfs/dbraw/zinc/90/27/98/1080902798.db2.gz CAQUCLPTOOIBTE-UHFFFAOYSA-N 0 3 324.428 2.388 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1scc(C)c1Cl ZINC001268647416 1080914320 /nfs/dbraw/zinc/91/43/20/1080914320.db2.gz RHFIHEAADGFPGO-LLVKDONJSA-N 0 3 314.838 2.068 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)CCc1ccc(Cl)cc1 ZINC001268655735 1080918224 /nfs/dbraw/zinc/91/82/24/1080918224.db2.gz BQKQROBJMCLQRS-CQSZACIVSA-N 0 3 322.836 2.017 20 30 DEEDHN C#CCCCC(=O)NCC[C@H]1CCN(Cc2oc(C)nc2C)C1 ZINC001664712550 1080947510 /nfs/dbraw/zinc/94/75/10/1080947510.db2.gz OJKGMRFCMUIHRV-INIZCTEOSA-N 0 3 317.433 2.423 20 30 DEEDHN C/C=C(\C)C(=O)N[C@@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001268722457 1080951407 /nfs/dbraw/zinc/95/14/07/1080951407.db2.gz AAHNEBAZTHIRNT-JVDKPVQESA-N 0 3 315.417 2.492 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OC)c1 ZINC001665400941 1081023473 /nfs/dbraw/zinc/02/34/73/1081023473.db2.gz LNCSWJANLOFDQX-KBMXLJTQSA-N 0 3 315.417 2.344 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCOCC(F)(F)F)C1 ZINC001665646696 1081054527 /nfs/dbraw/zinc/05/45/27/1081054527.db2.gz CMTYZNVOZRGGKU-GFCCVEGCSA-N 0 3 308.344 2.064 20 30 DEEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCCO1 ZINC001268935164 1081054693 /nfs/dbraw/zinc/05/46/93/1081054693.db2.gz QEGXTWHSBRQWDP-BZSNNMDCSA-N 0 3 318.461 2.424 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001665641876 1081054786 /nfs/dbraw/zinc/05/47/86/1081054786.db2.gz JABYPIDPJTUOEC-PQUAAJSLSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CCC(=O)N(CC)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001665721975 1081070850 /nfs/dbraw/zinc/07/08/50/1081070850.db2.gz XDMAATOZNVVWGO-QGZVFWFLSA-N 0 3 318.465 2.242 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](OC)C(C)C)NCC#Cc1ccccc1 ZINC001665838274 1081089476 /nfs/dbraw/zinc/08/94/76/1081089476.db2.gz AJKJYZDJNFWRGT-QZTJIDSGSA-N 0 3 316.445 2.194 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001269034166 1081091944 /nfs/dbraw/zinc/09/19/44/1081091944.db2.gz RSNQZLGNGFLXBX-HOTGVXAUSA-N 0 3 304.438 2.237 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](N[C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001666275334 1081140371 /nfs/dbraw/zinc/14/03/71/1081140371.db2.gz UYKUCVVYTPLSOG-IHRRRGAJSA-N 0 3 319.453 2.411 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)[C@H](OCC)C(C)C)cc1 ZINC001666333399 1081145016 /nfs/dbraw/zinc/14/50/16/1081145016.db2.gz PVYOLFXMCNYQNM-QGZVFWFLSA-N 0 3 302.418 2.087 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)[C@@H]2CCCO2)cc1 ZINC001666341332 1081145674 /nfs/dbraw/zinc/14/56/74/1081145674.db2.gz SUYMPVPGVVWBQW-YJBOKZPZSA-N 0 3 314.429 2.231 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCC1CCN(C[C@@H](F)CC)CC1 ZINC001666364209 1081147708 /nfs/dbraw/zinc/14/77/08/1081147708.db2.gz KHBULIRFTQZTOP-DOTOQJQBSA-N 0 3 314.445 2.280 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCC1CCN(CC#CCOC)CC1 ZINC001666374834 1081148510 /nfs/dbraw/zinc/14/85/10/1081148510.db2.gz NMDBEXCZNIHMEZ-QGZVFWFLSA-N 0 3 320.477 2.457 20 30 DEEDHN 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C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC=C)c3ccccc3)C[C@@H]2C1 ZINC001271898239 1082185762 /nfs/dbraw/zinc/18/57/62/1082185762.db2.gz BLEMVEUICXWOAX-OTWHNJEPSA-N 0 3 308.425 2.370 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(C(F)(F)F)nc1)C1CC1 ZINC001266604409 1082191251 /nfs/dbraw/zinc/19/12/51/1082191251.db2.gz CYPOMOVWSFVYFU-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001670650627 1082204767 /nfs/dbraw/zinc/20/47/67/1082204767.db2.gz KGYNSVKOVBABFQ-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CCN1CCC[C@@H]1CCOC1 ZINC001670677087 1082213378 /nfs/dbraw/zinc/21/33/78/1082213378.db2.gz KJEJJZWCWZOGKI-IAGOWNOFSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001266614682 1082214121 /nfs/dbraw/zinc/21/41/21/1082214121.db2.gz NJPCGZSUVACHLI-IHRRRGAJSA-N 0 3 319.453 2.267 20 30 DEEDHN C#CCCCC(=O)N(C)CCNCc1cnn(-c2ccccc2)c1 ZINC001266686504 1082283867 /nfs/dbraw/zinc/28/38/67/1082283867.db2.gz FJDQKUXQZOJZCU-UHFFFAOYSA-N 0 3 324.428 2.224 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)CCc1cccc(OC)c1F ZINC001272033602 1082305269 /nfs/dbraw/zinc/30/52/69/1082305269.db2.gz RFANIPKSEPJIRM-UHFFFAOYSA-N 0 3 308.397 2.343 20 30 DEEDHN CC(C)N(CCN(C)C[C@H]1CC(C)(C)CO1)C(=O)[C@H](C)C#N ZINC001423555618 1082322550 /nfs/dbraw/zinc/32/25/50/1082322550.db2.gz GDAZIUHGFKGKQP-HUUCEWRRSA-N 0 3 309.454 2.130 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](CNCc2cnns2)C1 ZINC001266804866 1082357388 /nfs/dbraw/zinc/35/73/88/1082357388.db2.gz QALPZDLYPPZVQR-KGLIPLIRSA-N 0 3 322.478 2.469 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C1CC2(CC2)C1 ZINC001266834462 1082381501 /nfs/dbraw/zinc/38/15/01/1082381501.db2.gz RIPVANVUIKZDNL-UHFFFAOYSA-N 0 3 303.431 2.358 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001266855792 1082399513 /nfs/dbraw/zinc/39/95/13/1082399513.db2.gz FYKNINLTPFDKGD-NVXWUHKLSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Br)o1 ZINC001482645331 1082429951 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C=C(Cl)CNCC[C@H](C)NC(=O)c1coc(CC2CC2)n1 ZINC001482884379 1082541791 /nfs/dbraw/zinc/54/17/91/1082541791.db2.gz WSRZQCDSCUGWJH-NSHDSACASA-N 0 3 311.813 2.478 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001482921763 1082562259 /nfs/dbraw/zinc/56/22/59/1082562259.db2.gz HNUKZMIMRQUHPS-GJZGRUSLSA-N 0 3 321.371 2.398 20 30 DEEDHN CC[C@H](F)C(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001482942842 1082571057 /nfs/dbraw/zinc/57/10/57/1082571057.db2.gz VMGFIVQTVBWFFI-AWEZNQCLSA-N 0 3 309.360 2.384 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001482952498 1082574877 /nfs/dbraw/zinc/57/48/77/1082574877.db2.gz MAJDSEVDQXYYSJ-UHFFFAOYSA-N 0 3 315.392 2.311 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001482954095 1082575905 /nfs/dbraw/zinc/57/59/05/1082575905.db2.gz PQSMWDRZRRKLKS-ZDUSSCGKSA-N 0 3 321.446 2.070 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1ccc(C)nc1OCCC ZINC001272146438 1082604949 /nfs/dbraw/zinc/60/49/49/1082604949.db2.gz XIUBIHWCTDYFSX-UHFFFAOYSA-N 0 3 305.422 2.369 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C/CNCc1ccc(C)c(F)c1 ZINC001483001867 1082617553 /nfs/dbraw/zinc/61/75/53/1082617553.db2.gz HEWLORLZVRWTFF-DUMMIQTOSA-N 0 3 320.408 2.223 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC/C=C\CNCc1csc(C)c1 ZINC001483001907 1082617902 /nfs/dbraw/zinc/61/79/02/1082617902.db2.gz HSFHASJFSRUKJY-OGZRUICASA-N 0 3 308.447 2.146 20 30 DEEDHN C=CCC1(C(=O)N(C)CCN(C)CCn2cccn2)CCCC1 ZINC001272186087 1082625690 /nfs/dbraw/zinc/62/56/90/1082625690.db2.gz XUMSAEKJCCJAJB-UHFFFAOYSA-N 0 3 318.465 2.410 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)CCC(F)F)cc1 ZINC001483039467 1082639692 /nfs/dbraw/zinc/63/96/92/1082639692.db2.gz UANCYNOWJAIMAI-OWOJBTEDSA-N 0 3 307.344 2.366 20 30 DEEDHN CC(C)COCCC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001483210335 1082809872 /nfs/dbraw/zinc/80/98/72/1082809872.db2.gz VDVYDTSXZLPROY-KRWDZBQOSA-N 0 3 316.445 2.195 20 30 DEEDHN CCO[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001483209414 1082809908 /nfs/dbraw/zinc/80/99/08/1082809908.db2.gz DYEPKOLXKUFPOY-UONOGXRCSA-N 0 3 322.836 2.211 20 30 DEEDHN CC(C)OCCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001483210510 1082810099 /nfs/dbraw/zinc/81/00/99/1082810099.db2.gz ULUGBESYZLHPBK-ZDUSSCGKSA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001483213841 1082813881 /nfs/dbraw/zinc/81/38/81/1082813881.db2.gz QRPXDAYSSAZSDK-DLBZAZTESA-N 0 3 314.429 2.114 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)ns1 ZINC001483223204 1082825878 /nfs/dbraw/zinc/82/58/78/1082825878.db2.gz YJHUIKCXYHBCKZ-VIFPVBQESA-N 0 3 320.443 2.293 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CCn2ccnc2)CCCCC1 ZINC001409766351 1083046571 /nfs/dbraw/zinc/04/65/71/1083046571.db2.gz WZKKYYRMCMXBDD-UHFFFAOYSA-N 0 3 324.856 2.434 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)C#CC(C)(C)C)CCC[C@@H]12 ZINC001107401626 1083379212 /nfs/dbraw/zinc/37/92/12/1083379212.db2.gz WZZNFHUDYCMVHQ-VQIMIIECSA-N 0 3 300.446 2.420 20 30 DEEDHN C#CCOCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107401189 1083380553 /nfs/dbraw/zinc/38/05/53/1083380553.db2.gz BGFBNOHOSYOPMO-IUZRFUNMSA-N 0 3 324.852 2.140 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001276405402 1083396823 /nfs/dbraw/zinc/39/68/23/1083396823.db2.gz JZWAJGBFDATJFU-ZDUSSCGKSA-N 0 3 320.383 2.276 20 30 DEEDHN CS[C@@H](C)CCN1CC2(C1)CN(Cc1cc(C#N)n(C)c1)C2 ZINC001276471468 1083459246 /nfs/dbraw/zinc/45/92/46/1083459246.db2.gz XOHVGRRCOXIUCO-AWEZNQCLSA-N 0 3 318.490 2.156 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cc1c(C)noc1Cl ZINC001276940844 1083690742 /nfs/dbraw/zinc/69/07/42/1083690742.db2.gz MFJDXSZEHOBRCV-GFCCVEGCSA-N 0 3 311.813 2.336 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001276941832 1083691743 /nfs/dbraw/zinc/69/17/43/1083691743.db2.gz QYBPSRYJKYHLBR-DOMZBBRYSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001077747406 1083790626 /nfs/dbraw/zinc/79/06/26/1083790626.db2.gz BTBXIHQQQFDDGY-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCCCCC(=O)NC[C@@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001107880648 1083815150 /nfs/dbraw/zinc/81/51/50/1083815150.db2.gz PUNNVJCUHYYLJQ-AEFFLSMTSA-N 0 3 308.466 2.433 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001277227024 1083857784 /nfs/dbraw/zinc/85/77/84/1083857784.db2.gz DRAHFOYQJKJPGP-UONOGXRCSA-N 0 3 324.856 2.073 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCn2cncc2C1 ZINC001277227022 1083858187 /nfs/dbraw/zinc/85/81/87/1083858187.db2.gz DRAHFOYQJKJPGP-KGLIPLIRSA-N 0 3 324.856 2.073 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001099339348 1083947798 /nfs/dbraw/zinc/94/77/98/1083947798.db2.gz HFQKCBJMEKMSBB-OAHLLOKOSA-N 0 3 318.465 2.362 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001277404837 1083951017 /nfs/dbraw/zinc/95/10/17/1083951017.db2.gz HOHRTAQTMHJCAO-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272766593 1083984436 /nfs/dbraw/zinc/98/44/36/1083984436.db2.gz RBCGZPGDZCUTQO-HZPDHXFCSA-N 0 3 300.402 2.452 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272766593 1083984443 /nfs/dbraw/zinc/98/44/43/1083984443.db2.gz RBCGZPGDZCUTQO-HZPDHXFCSA-N 0 3 300.402 2.452 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)C#CC(C)(C)C ZINC001272772297 1084002681 /nfs/dbraw/zinc/00/26/81/1084002681.db2.gz DUCOZAVHCQCWLN-LBPRGKRZSA-N 0 3 315.255 2.429 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001491013802 1084006327 /nfs/dbraw/zinc/00/63/27/1084006327.db2.gz ZSMQPNCNRPKWBF-UYAYXHRUSA-N 0 3 320.408 2.451 20 30 DEEDHN C=CCCC[NH2+]CC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001272800043 1084074743 /nfs/dbraw/zinc/07/47/43/1084074743.db2.gz CZBFVHUSVDXGAW-GFCCVEGCSA-N 0 3 301.394 2.022 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001491118412 1084092531 /nfs/dbraw/zinc/09/25/31/1084092531.db2.gz PJVGVVZZUXILCP-HZPDHXFCSA-N 0 3 316.420 2.466 20 30 DEEDHN Cc1cccnc1N1CC[C@H]2[C@@H]1CCN2Cc1cc(C#N)n(C)c1 ZINC001277708305 1084105451 /nfs/dbraw/zinc/10/54/51/1084105451.db2.gz XBHXMXYUSNVJMG-ROUUACIJSA-N 0 3 321.428 2.453 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](CNCc2ccn(C)n2)C1 ZINC001491168336 1084123438 /nfs/dbraw/zinc/12/34/38/1084123438.db2.gz DRPBOBFKFKIRRV-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cscn1)NCC#Cc1ccccc1 ZINC001277772428 1084142294 /nfs/dbraw/zinc/14/22/94/1084142294.db2.gz XSWKCILUSFTUTF-CQSZACIVSA-N 0 3 313.426 2.245 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1ccns1 ZINC001277814709 1084160269 /nfs/dbraw/zinc/16/02/69/1084160269.db2.gz QZHYKZKSMDBZSL-UONOGXRCSA-N 0 3 323.462 2.205 20 30 DEEDHN Cc1ncc(CN[C@@H](C)CN(C)C(=O)C#CC(C)(C)C)s1 ZINC001277819284 1084161264 /nfs/dbraw/zinc/16/12/64/1084161264.db2.gz JEJZHKJYQLDYPM-LBPRGKRZSA-N 0 3 307.463 2.438 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCc1cnn(C)c1C ZINC001491216045 1084162052 /nfs/dbraw/zinc/16/20/52/1084162052.db2.gz XCLVNUNODBCLJH-QGZVFWFLSA-N 0 3 318.465 2.208 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)N(C)C(C)C ZINC001277866626 1084183148 /nfs/dbraw/zinc/18/31/48/1084183148.db2.gz WDEPUCHQWVFYQI-HZPDHXFCSA-N 0 3 323.481 2.179 20 30 DEEDHN COCC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2CCCC2)C1 ZINC001491278236 1084199628 /nfs/dbraw/zinc/19/96/28/1084199628.db2.gz CHIPXGQJDXMZEH-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)co2)C1 ZINC001491292719 1084217828 /nfs/dbraw/zinc/21/78/28/1084217828.db2.gz LRZBLUUJLDEAHO-HZPDHXFCSA-N 0 3 318.417 2.068 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCc2cccnc2)C1 ZINC001491293332 1084218911 /nfs/dbraw/zinc/21/89/11/1084218911.db2.gz UHZFVSUCSKEABC-WMZOPIPTSA-N 0 3 313.445 2.254 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2cccn2CC=C)[C@H](OC)C1 ZINC001212414870 1084241161 /nfs/dbraw/zinc/24/11/61/1084241161.db2.gz XDDLJBOXFPYRSG-NVXWUHKLSA-N 0 3 317.433 2.069 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCN[C@@H](C)C(=O)NC(CC)CC ZINC001128087831 1084321422 /nfs/dbraw/zinc/32/14/22/1084321422.db2.gz FDHRLFGHNFXTED-AWEZNQCLSA-N 0 3 323.481 2.154 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1cscc1C(F)F ZINC001491456867 1084325052 /nfs/dbraw/zinc/32/50/52/1084325052.db2.gz KQFHCLPXSPBSSJ-SNVBAGLBSA-N 0 3 316.373 2.043 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001491466370 1084329696 /nfs/dbraw/zinc/32/96/96/1084329696.db2.gz QKDRCPGCMVXVAO-VXGBXAGGSA-N 0 3 301.394 2.021 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3sccc3c2)C1 ZINC001077925836 1084353278 /nfs/dbraw/zinc/35/32/78/1084353278.db2.gz PUUPCRJFZCEIMC-HUUCEWRRSA-N 0 3 316.426 2.252 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCN(C)Cc1cccnc1 ZINC001235244652 1084358143 /nfs/dbraw/zinc/35/81/43/1084358143.db2.gz INZBDGKSCOYJQX-OAHLLOKOSA-N 0 3 305.422 2.001 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001077945506 1084397421 /nfs/dbraw/zinc/39/74/21/1084397421.db2.gz HBMQXBAOQILAMP-IAGOWNOFSA-N 0 3 302.418 2.161 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)c1ccccc1F ZINC001277968116 1084529151 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)C12CCC2 ZINC001078594220 1084754845 /nfs/dbraw/zinc/75/48/45/1084754845.db2.gz OWFUDTIDBOEDOY-UONOGXRCSA-N 0 3 322.840 2.030 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cnn(CC)c2)C12CCC2 ZINC001078580462 1084756804 /nfs/dbraw/zinc/75/68/04/1084756804.db2.gz HJZKDDSCXQWGKK-ZIAGYGMSSA-N 0 3 322.840 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)ncn2C)C12CCC2 ZINC001078652859 1084796304 /nfs/dbraw/zinc/79/63/04/1084796304.db2.gz VJPDLCSKUXCBHC-STQMWFEESA-N 0 3 322.840 2.112 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)C12CCC2 ZINC001078738840 1084852817 /nfs/dbraw/zinc/85/28/17/1084852817.db2.gz JDOOPRRBCIMOMX-RYUDHWBXSA-N 0 3 308.813 2.101 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2nocc2C)C12CCC2 ZINC001078774432 1084868444 /nfs/dbraw/zinc/86/84/44/1084868444.db2.gz XRGFOTPFOVUCRB-VXGBXAGGSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C12CCC2 ZINC001078801208 1084885736 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C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccn(C)c1)C2 ZINC000963691937 1086539203 /nfs/dbraw/zinc/53/92/03/1086539203.db2.gz NXIZCYNYFIBDRY-UHFFFAOYSA-N 0 3 307.825 2.408 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)C(C)(C)F ZINC001162660000 1086573768 /nfs/dbraw/zinc/57/37/68/1086573768.db2.gz LTKLYBURXKLHPI-UHFFFAOYSA-N 0 3 304.409 2.419 20 30 DEEDHN C#CCCCS(=O)(=O)N(CCN(CC)CC)CC(C)C ZINC000710324726 1086688343 /nfs/dbraw/zinc/68/83/43/1086688343.db2.gz WAEDDUOFFYZLBO-UHFFFAOYSA-N 0 3 302.484 2.029 20 30 DEEDHN CC#CCNC1(CNC(=O)c2coc(C3CCC3)n2)CCC1 ZINC001273180520 1087202149 /nfs/dbraw/zinc/20/21/49/1087202149.db2.gz RIKIOHIJEYCDDX-UHFFFAOYSA-N 0 3 301.390 2.208 20 30 DEEDHN C=CCC1(C(=O)NCC2(NCC#CC)CCC2)CCOCC1 ZINC001273187449 1087239099 /nfs/dbraw/zinc/23/90/99/1087239099.db2.gz VHNXPADVLQKTMO-UHFFFAOYSA-N 0 3 304.434 2.011 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129289144 1087279710 /nfs/dbraw/zinc/27/97/10/1087279710.db2.gz RLNZMUIHVOWAFT-CABCVRRESA-N 0 3 319.453 2.022 20 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C=CCN1C[C@@H](CNC(=O)c2ccc3ccccc3c2)[C@H](O)C1 ZINC000958614166 1089095416 /nfs/dbraw/zinc/09/54/16/1089095416.db2.gz UHNKXWLAZRJAFC-QZTJIDSGSA-N 0 3 310.397 2.048 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(C)c(CC)s2)C1 ZINC000958650368 1089123042 /nfs/dbraw/zinc/12/30/42/1089123042.db2.gz WLMZUNLOASILHH-KGLIPLIRSA-N 0 3 322.474 2.218 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@@H](CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000958692442 1089139395 /nfs/dbraw/zinc/13/93/95/1089139395.db2.gz AKSQGLMBVMYWLT-HOTGVXAUSA-N 0 3 320.408 2.041 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001080706466 1089151164 /nfs/dbraw/zinc/15/11/64/1089151164.db2.gz VUZGRXRPUSZKFD-RHSMWYFYSA-N 0 3 314.404 2.317 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001080762562 1089176779 /nfs/dbraw/zinc/17/67/79/1089176779.db2.gz ACHVUDCHWPTOEG-GDBMZVCRSA-N 0 3 317.433 2.495 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(OC)ccc2OC)C1 ZINC001080912540 1089243286 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DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@H](OC)C1 ZINC001082376138 1089890312 /nfs/dbraw/zinc/89/03/12/1089890312.db2.gz FHKKNNRKJRDBAC-IAOVAPTHSA-N 0 3 320.408 2.321 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001082451353 1089949977 /nfs/dbraw/zinc/94/99/77/1089949977.db2.gz XKWAUVCXMKUZKX-LALPHHSUSA-N 0 3 305.809 2.436 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001082690120 1090043473 /nfs/dbraw/zinc/04/34/73/1090043473.db2.gz BHVXGOMTIIRVKK-IDTSFGKNSA-N 0 3 303.431 2.212 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)/C=C/c3ccco3)[C@H]2C1 ZINC001082983133 1090130275 /nfs/dbraw/zinc/13/02/75/1090130275.db2.gz UNGVNUWDERETDH-LZCSOBMZSA-N 0 3 316.401 2.171 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCCC4(CC4)C3)[C@H]2C1 ZINC001083082487 1090156531 /nfs/dbraw/zinc/15/65/31/1090156531.db2.gz ZQFMRZWFOOQGSR-IXDOHACOSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)c(C)c2Cl)[C@@H](O)C1 ZINC001083951681 1090181640 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DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)[C@@H]2C1 ZINC001084793265 1090448264 /nfs/dbraw/zinc/44/82/64/1090448264.db2.gz REPFJSKKDRGXJL-DNVCBOLYSA-N 0 3 321.424 2.266 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084798267 1090448988 /nfs/dbraw/zinc/44/89/88/1090448988.db2.gz HVJPSTRAGWXCRG-QZTJIDSGSA-N 0 3 314.404 2.103 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3)[C@@H]2C1 ZINC001084811156 1090455357 /nfs/dbraw/zinc/45/53/57/1090455357.db2.gz WSYBZNCERDNEQG-JFIYKMOQSA-N 0 3 312.413 2.010 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001084822637 1090462562 /nfs/dbraw/zinc/46/25/62/1090462562.db2.gz IWQQTEIRYZHVQT-RTBURBONSA-N 0 3 308.425 2.345 20 30 DEEDHN CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)NCc1ccn(C(C)C)n1 ZINC001410250722 1090473282 /nfs/dbraw/zinc/47/32/82/1090473282.db2.gz CVIPECHXDYTZFD-GDBMZVCRSA-N 0 3 319.453 2.244 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCc3ccc(C)o3)[C@@H]2C1 ZINC001084850799 1090477147 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C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1CC ZINC001085180026 1090698854 /nfs/dbraw/zinc/69/88/54/1090698854.db2.gz IGQZMOYEZNKZQL-CHWSQXEVSA-N 0 3 310.829 2.286 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3ccc(C)c(F)c3F)C2)C1=O ZINC001273290515 1090710511 /nfs/dbraw/zinc/71/05/11/1090710511.db2.gz CMSSSJRZUKGDBO-GOSISDBHSA-N 0 3 318.367 2.331 20 30 DEEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc3nccnc23)C1=O ZINC001273314238 1091014500 /nfs/dbraw/zinc/01/45/00/1091014500.db2.gz WBWAIXNFWLLYOU-LJQANCHMSA-N 0 3 322.412 2.383 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3csc(Cl)c3)C2)C1=O ZINC001273384191 1091120658 /nfs/dbraw/zinc/12/06/58/1091120658.db2.gz NFCSDBDXCJVPDY-OAHLLOKOSA-N 0 3 308.834 2.459 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cncn3CC)CC2)C1=O ZINC001274341292 1091197369 /nfs/dbraw/zinc/19/73/69/1091197369.db2.gz DDTFTMORKKFQDN-GOSISDBHSA-N 0 3 316.449 2.294 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1c[nH]nc1CC)CC2 ZINC001274380846 1091217682 /nfs/dbraw/zinc/21/76/82/1091217682.db2.gz IXTPTJRXUUPEKM-UHFFFAOYSA-N 0 3 316.449 2.363 20 30 DEEDHN CC(=O)N(CCN(C)Cc1ccc(OCC#N)cc1)C(C)C ZINC001411186874 1091393486 /nfs/dbraw/zinc/39/34/86/1091393486.db2.gz XDHFWNUESZWJQC-UHFFFAOYSA-N 0 3 303.406 2.278 20 30 DEEDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274793653 1091421934 /nfs/dbraw/zinc/42/19/34/1091421934.db2.gz GMADWLUONARLBB-KBXCAEBGSA-N 0 3 312.417 2.176 20 30 DEEDHN Cc1ccncc1CN1CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001411231280 1091445218 /nfs/dbraw/zinc/44/52/18/1091445218.db2.gz SZRIUZOSBHTDGB-GJZGRUSLSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)CCCOC)CC2)C1 ZINC001274867247 1091456257 /nfs/dbraw/zinc/45/62/57/1091456257.db2.gz CRDBHWRLQMAWCS-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)COCCC ZINC001275059280 1091534374 /nfs/dbraw/zinc/53/43/74/1091534374.db2.gz JBTGEHOUGRBHLP-SJLPKXTDSA-N 0 3 302.418 2.361 20 30 DEEDHN C#Cc1cccc(CN2CC3(C2)CCN(Cc2cn[nH]c2)C3)c1 ZINC001276097498 1091544276 /nfs/dbraw/zinc/54/42/76/1091544276.db2.gz RSBAWUYRTSDYSA-UHFFFAOYSA-N 0 3 306.413 2.099 20 30 DEEDHN N#Cc1ccc(C(=O)N2CC3(C2)CN(C2CCCC2)C3)cc1F ZINC001275096114 1091551243 /nfs/dbraw/zinc/55/12/43/1091551243.db2.gz XAHXEXFMGIGFLG-UHFFFAOYSA-N 0 3 313.376 2.398 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)C1(C2CC2)CC1 ZINC001275121974 1091571257 /nfs/dbraw/zinc/57/12/57/1091571257.db2.gz UFGQNKGFCCUTPH-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN CCCCCCCN1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1 ZINC001275130795 1091574868 /nfs/dbraw/zinc/57/48/68/1091574868.db2.gz GSZQVLHVLUBUHA-CALCHBBNSA-N 0 3 306.454 2.265 20 30 DEEDHN CC(C)(CN1CCCC1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001299465135 1091632577 /nfs/dbraw/zinc/63/25/77/1091632577.db2.gz IIFCCQQTVWYKIT-YFHOEESVSA-N 0 3 318.392 2.399 20 30 DEEDHN C#Cc1cncc(C(=O)NCCNCc2cc3ccccc3o2)c1 ZINC001133593033 1091648554 /nfs/dbraw/zinc/64/85/54/1091648554.db2.gz KZDBDTFPYXHWSC-UHFFFAOYSA-N 0 3 319.364 2.329 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNCc1ccccc1F ZINC001275309602 1091662279 /nfs/dbraw/zinc/66/22/79/1091662279.db2.gz FGRKYZUONWWOOL-BJJXKVORSA-N 0 3 306.381 2.011 20 30 DEEDHN CN1C[C@@H]2CCN(C(=O)c3c(F)cc(C#N)cc3Cl)[C@@H]2C1 ZINC001275313170 1091664617 /nfs/dbraw/zinc/66/46/17/1091664617.db2.gz CEXVFGRGWLXSDA-GXFFZTMASA-N 0 3 307.756 2.127 20 30 DEEDHN C=CCOCC(=O)NC1(CNCc2cnoc2C)CCCCC1 ZINC001276188490 1091669913 /nfs/dbraw/zinc/66/99/13/1091669913.db2.gz MMQZIOMTJBLZTQ-UHFFFAOYSA-N 0 3 321.421 2.094 20 30 DEEDHN CCOCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001275347558 1091681148 /nfs/dbraw/zinc/68/11/48/1091681148.db2.gz IOWIHJNOOWQFMT-KGLIPLIRSA-N 0 3 322.836 2.211 20 30 DEEDHN CCCOCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001275365050 1091692110 /nfs/dbraw/zinc/69/21/10/1091692110.db2.gz HWXLRSWLYJZSPJ-LSDHHAIUSA-N 0 3 320.408 2.087 20 30 DEEDHN C=CCC[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C(=O)OCC ZINC001298023902 1091717232 /nfs/dbraw/zinc/71/72/32/1091717232.db2.gz 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/nfs/dbraw/zinc/87/44/25/1091874425.db2.gz XWFJXYWOGSFRDY-UHFFFAOYSA-N 0 3 308.466 2.387 20 30 DEEDHN C=CCCCCN1CCCC[C@@]12CC(=O)N(CC(OC)OC)C2 ZINC001273495030 1091882840 /nfs/dbraw/zinc/88/28/40/1091882840.db2.gz LYZBQVPSMGMGLP-SFHVURJKSA-N 0 3 324.465 2.419 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc2ccccc2n1 ZINC001273523955 1091901710 /nfs/dbraw/zinc/90/17/10/1091901710.db2.gz JGZODPICRYCSAX-UHFFFAOYSA-N 0 3 310.401 2.047 20 30 DEEDHN N#Cc1cccc(CN2CCC3(CN(Cc4ccc[nH]4)C3)CC2)n1 ZINC001275605244 1091903523 /nfs/dbraw/zinc/90/35/23/1091903523.db2.gz GTSFZNBKNAEJCQ-UHFFFAOYSA-N 0 3 321.428 2.379 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)CCc1ccnn1C ZINC001275615031 1091911960 /nfs/dbraw/zinc/91/19/60/1091911960.db2.gz NPYAADJDFGOEEH-CQSZACIVSA-N 0 3 306.454 2.001 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cccc(F)c3OC)C2)C1=O ZINC001273554993 1091921437 /nfs/dbraw/zinc/92/14/37/1091921437.db2.gz HIBCYUBPQBTBGB-GOSISDBHSA-N 0 3 318.392 2.445 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cnnc3ccccc32)CC1 ZINC000948812735 1091950416 /nfs/dbraw/zinc/95/04/16/1091950416.db2.gz MTNFGRMGOWZNNY-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc(O)c1C ZINC001273620303 1091959057 /nfs/dbraw/zinc/95/90/57/1091959057.db2.gz UDDOHUCXFVGKKR-LJQANCHMSA-N 0 3 312.413 2.291 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cnn3ccccc23)CC1 ZINC000948864992 1091971829 /nfs/dbraw/zinc/97/18/29/1091971829.db2.gz LNACIBZFUDYDFZ-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C=CCCCC(=O)N1CCC(CC)(NCc2cn(C)nn2)CC1 ZINC001273782544 1092046175 /nfs/dbraw/zinc/04/61/75/1092046175.db2.gz KEBAXDNWWLFWSK-UHFFFAOYSA-N 0 3 319.453 2.032 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C3CC3)CCC1)CCO2 ZINC000949151369 1092058247 /nfs/dbraw/zinc/05/82/47/1092058247.db2.gz OJEUAIYIGVZGHS-UHFFFAOYSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3cc(F)c[nH]3)CC2)C1 ZINC000949414950 1092139607 /nfs/dbraw/zinc/13/96/07/1092139607.db2.gz KWTDNZQJUPXVKR-UHFFFAOYSA-N 0 3 321.396 2.037 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC000949483384 1092162757 /nfs/dbraw/zinc/16/27/57/1092162757.db2.gz QRHIBDWFKZPPSR-INIZCTEOSA-N 0 3 318.461 2.446 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(CC)cc1 ZINC001275827904 1092187682 /nfs/dbraw/zinc/18/76/82/1092187682.db2.gz OSPIMABCLNGDLC-CVEARBPZSA-N 0 3 316.445 2.224 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc(NC(C)=O)c1C ZINC001275978046 1092428298 /nfs/dbraw/zinc/42/82/98/1092428298.db2.gz XSPTWDJVXUOSCL-GFCCVEGCSA-N 0 3 303.406 2.190 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001276000735 1092476901 /nfs/dbraw/zinc/47/69/01/1092476901.db2.gz BLOMWJCDQPTUOI-QGZVFWFLSA-N 0 3 314.429 2.067 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)c2sccc2C(C)C)C1 ZINC001273937204 1092524575 /nfs/dbraw/zinc/52/45/75/1092524575.db2.gz TUDMXRKOLIEIIQ-QGZVFWFLSA-N 0 3 320.458 2.061 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001488645355 1092657879 /nfs/dbraw/zinc/65/78/79/1092657879.db2.gz TWGVYVITDRPSFU-GOEBONIOSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001488688905 1092688273 /nfs/dbraw/zinc/68/82/73/1092688273.db2.gz LWYDLFDWFHCGAP-INIZCTEOSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)OC ZINC001488695213 1092692859 /nfs/dbraw/zinc/69/28/59/1092692859.db2.gz XXMJEUJSKCIPGJ-QZTJIDSGSA-N 0 3 316.445 2.353 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)CCOC)CCN1Cc1ccc(C#N)cc1 ZINC001489100301 1092913249 /nfs/dbraw/zinc/91/32/49/1092913249.db2.gz TXEUXKFKKCTMLK-DLBZAZTESA-N 0 3 315.417 2.064 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1nc(CC)c[nH]1 ZINC001489321729 1093019628 /nfs/dbraw/zinc/01/96/28/1093019628.db2.gz BXMVXTAHGYQJNO-HNNXBMFYSA-N 0 3 304.438 2.014 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)CC(C)(C)C1 ZINC001489342645 1093030462 /nfs/dbraw/zinc/03/04/62/1093030462.db2.gz RTLWZAUOQNSKJM-UONOGXRCSA-N 0 3 319.453 2.380 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn[n-]2)CC(C)(C)C1 ZINC001489342645 1093030470 /nfs/dbraw/zinc/03/04/70/1093030470.db2.gz RTLWZAUOQNSKJM-UONOGXRCSA-N 0 3 319.453 2.380 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(CC#CCOC)CC(C)(C)C1 ZINC001489347256 1093031972 /nfs/dbraw/zinc/03/19/72/1093031972.db2.gz IVKLEWKYMAPBMB-BRWVUGGUSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCOc1cccc(F)c1 ZINC001490204493 1093223295 /nfs/dbraw/zinc/22/32/95/1093223295.db2.gz KFGMAASFBXPNCB-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCc1cn[nH]c1 ZINC001490301963 1093284127 /nfs/dbraw/zinc/28/41/27/1093284127.db2.gz FYRBKTHKPOBEOL-HIFRSBDPSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1nonc1C ZINC001490311643 1093301893 /nfs/dbraw/zinc/30/18/93/1093301893.db2.gz JVEUNIYQHIWFQE-JQWIXIFHSA-N 0 3 312.801 2.103 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)CCCOC(C)C)CC1 ZINC001279110556 1093562238 /nfs/dbraw/zinc/56/22/38/1093562238.db2.gz AEAIXCMQHJKRGG-MRXNPFEDSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCOCCC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001274027107 1093772620 /nfs/dbraw/zinc/77/26/20/1093772620.db2.gz CRWIUXJTJBXMMK-UHFFFAOYSA-N 0 3 300.402 2.067 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C#N)cc1C ZINC001274030543 1093774775 /nfs/dbraw/zinc/77/47/75/1093774775.db2.gz QJOODCKOPGGEAK-HXUWFJFHSA-N 0 3 321.424 2.457 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](NCc2ccccn2)[C@@H](C)C1 ZINC001274178486 1093837691 /nfs/dbraw/zinc/83/76/91/1093837691.db2.gz ANYWBDCDFLBAAB-RDJZCZTQSA-N 0 3 317.433 2.001 20 30 DEEDHN C#C[C@H]1CCCN(Cc2ccc(F)c(N3CCN(C)CC3)c2)C1 ZINC001236974018 1138471590 /nfs/dbraw/zinc/47/15/90/1138471590.db2.gz OUIMLHLMELIBDK-INIZCTEOSA-N 0 3 315.436 2.423 20 30 DEEDHN CC/C=C\CCCN1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001278053978 1138504304 /nfs/dbraw/zinc/50/43/04/1138504304.db2.gz GFWADIIKOMHQKD-MJSXRHKHSA-N 0 3 301.434 2.427 20 30 DEEDHN C#CCN(C(=O)C1CCCC1)C1CCN(CCOCC=C)CC1 ZINC001278107583 1138663429 /nfs/dbraw/zinc/66/34/29/1138663429.db2.gz VYAICQHIBAEFKP-UHFFFAOYSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)NCc2ccc(C)cc2C)C1 ZINC001278146556 1138789988 /nfs/dbraw/zinc/78/99/88/1138789988.db2.gz HGHYMOTZKQBCJQ-KRWDZBQOSA-N 0 3 316.445 2.226 20 30 DEEDHN COc1cc(CN2CC[C@H]3[C@@H](CCC(=O)N3C)C2)ccc1C#N ZINC001238416398 1138845073 /nfs/dbraw/zinc/84/50/73/1138845073.db2.gz MSGXVESEJMZURA-HOTGVXAUSA-N 0 3 313.401 2.010 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNC(=O)C(C)(C)N1CCCCC1 ZINC001292748305 1138864089 /nfs/dbraw/zinc/86/40/89/1138864089.db2.gz VQUPQQYFGOXMNZ-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001278289329 1138966964 /nfs/dbraw/zinc/96/69/64/1138966964.db2.gz QUFJDPPDSFUSHA-SFHVURJKSA-N 0 3 316.420 2.445 20 30 DEEDHN N#Cc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc(C2C[NH2+]C2)c1 ZINC001240356368 1139346465 /nfs/dbraw/zinc/34/64/65/1139346465.db2.gz QSHZNZLMTZSPOK-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN N#Cc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc(C2C[NH2+]C2)c1 ZINC001240356368 1139346475 /nfs/dbraw/zinc/34/64/75/1139346475.db2.gz QSHZNZLMTZSPOK-UHFFFAOYSA-N 0 3 320.331 2.231 20 30 DEEDHN Cc1cc(-c2ccc(CN3CCN(C)CC3)cc2)nc(C#N)n1 ZINC001240395573 1139356437 /nfs/dbraw/zinc/35/64/37/1139356437.db2.gz GPMGFFYFOKYFFI-UHFFFAOYSA-N 0 3 307.401 2.071 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC1(OC)CCC1)C2 ZINC001278334134 1139843268 /nfs/dbraw/zinc/84/32/68/1139843268.db2.gz BIUNVVIKXFYATR-GOSISDBHSA-N 0 3 318.461 2.283 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001298127219 1140005397 /nfs/dbraw/zinc/00/53/97/1140005397.db2.gz DUZOLAGQHIOGJP-HOTGVXAUSA-N 0 3 323.481 2.084 20 30 DEEDHN Cc1nocc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001243672208 1140216840 /nfs/dbraw/zinc/21/68/40/1140216840.db2.gz NBFAJUHKBCIFIK-SNVBAGLBSA-N 0 3 300.318 2.389 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCc2cncc(C)c2)C1 ZINC001318414493 1140320918 /nfs/dbraw/zinc/32/09/18/1140320918.db2.gz DRNNSCWKTUWOBV-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001318424391 1140323425 /nfs/dbraw/zinc/32/34/25/1140323425.db2.gz OKARJFOFIZUMPC-DLBZAZTESA-N 0 3 316.445 2.465 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001318446406 1140333402 /nfs/dbraw/zinc/33/34/02/1140333402.db2.gz VJLWZUBNXCRWKJ-ZWKOTPCHSA-N 0 3 315.461 2.398 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CC)NCC(=O)N1CCC(C)CC1 ZINC001318526137 1140358507 /nfs/dbraw/zinc/35/85/07/1140358507.db2.gz GEDLKEHRJLKQIC-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](CC)N[C@@H](C)C(=O)N(C)C)CCCC1 ZINC001318614830 1140374353 /nfs/dbraw/zinc/37/43/53/1140374353.db2.gz RUBADACMTXRTCD-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@](CNCC#Cc1ccc(F)cc1)(NC(=O)C1CC1)C1CC1 ZINC001318675283 1140383711 /nfs/dbraw/zinc/38/37/11/1140383711.db2.gz LPCLKJKYSASONQ-LJQANCHMSA-N 0 3 314.404 2.462 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001318841661 1140433003 /nfs/dbraw/zinc/43/30/03/1140433003.db2.gz DMGDCSOKJYCIFF-CQSZACIVSA-N 0 3 324.856 2.313 20 30 DEEDHN Cc1nocc1C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001278399346 1140540346 /nfs/dbraw/zinc/54/03/46/1140540346.db2.gz XDDGKCYZXHTBKS-RHSMWYFYSA-N 0 3 323.396 2.227 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001319398425 1140563083 /nfs/dbraw/zinc/56/30/83/1140563083.db2.gz RAKNLAALTVDJRJ-KRWDZBQOSA-N 0 3 306.450 2.204 20 30 DEEDHN CC#CCCCC(=O)N1CCC2(CN([C@H](C)COC)C2)CC1 ZINC001319405417 1140565210 /nfs/dbraw/zinc/56/52/10/1140565210.db2.gz MZFNVWOXIBWOMD-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1=CCCCCC1 ZINC001319448781 1140578990 /nfs/dbraw/zinc/57/89/90/1140578990.db2.gz QCODHNBQPPJMOQ-CABCVRRESA-N 0 3 321.465 2.004 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001319461369 1140583846 /nfs/dbraw/zinc/58/38/46/1140583846.db2.gz BLDZUIKKJBENCB-HUUCEWRRSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc2ncccc2o1 ZINC001320027505 1140813358 /nfs/dbraw/zinc/81/33/58/1140813358.db2.gz RLCSJNLMHAYMDN-UHFFFAOYSA-N 0 3 317.389 2.034 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1ccncc1C(F)(F)F ZINC001320065951 1140817918 /nfs/dbraw/zinc/81/79/18/1140817918.db2.gz BRMVLBCUMNIOEZ-UHFFFAOYSA-N 0 3 301.312 2.290 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CCN2CC#CCOC)C1 ZINC001320101932 1140821624 /nfs/dbraw/zinc/82/16/24/1140821624.db2.gz CBNPYPOHEYYYDD-IAGOWNOFSA-N 0 3 318.461 2.161 20 30 DEEDHN CO[C@@H](C)CC(=O)N[C@@H](C)CCNCc1cc(C#N)ccc1F ZINC001320362825 1140855378 /nfs/dbraw/zinc/85/53/78/1140855378.db2.gz RVUNFIWULPEXST-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001320426577 1140864498 /nfs/dbraw/zinc/86/44/98/1140864498.db2.gz ODBXJAVKIYJAPQ-IRXDYDNUSA-N 0 3 317.433 2.151 20 30 DEEDHN C=C(C)CCC(=O)N(CC)CCNCC(=O)N1CCCC[C@H]1C ZINC001320745567 1140905276 /nfs/dbraw/zinc/90/52/76/1140905276.db2.gz 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DDRNQJUPLWGVFD-IUODEOHRSA-N 0 3 315.392 2.434 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001317306936 1147688541 /nfs/dbraw/zinc/68/85/41/1147688541.db2.gz JEQJTMCHZFXBPK-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001317380734 1147699560 /nfs/dbraw/zinc/69/95/60/1147699560.db2.gz GHEJUTXMNWKNPA-IAGOWNOFSA-N 0 3 301.434 2.385 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2CC3(C2)CCOCC3)C1 ZINC001317382717 1147699919 /nfs/dbraw/zinc/69/99/19/1147699919.db2.gz UOXLJUYAFTVNFH-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1nn(C)cc1C ZINC001317422999 1147704996 /nfs/dbraw/zinc/70/49/96/1147704996.db2.gz WVMCBMMXHGPEHG-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001317506714 1147717526 /nfs/dbraw/zinc/71/75/26/1147717526.db2.gz DBQVJGWQWZTVPH-MRXNPFEDSA-N 0 3 319.449 2.213 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)Oc2ccccc2F)C1 ZINC001317521763 1147719440 /nfs/dbraw/zinc/71/94/40/1147719440.db2.gz ZSBIFCLLVKFTFP-GJZGRUSLSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC001317528254 1147720704 /nfs/dbraw/zinc/72/07/04/1147720704.db2.gz QIXUOTJWCCMFPB-CHWSQXEVSA-N 0 3 316.392 2.061 20 30 DEEDHN C=CCN(CCNC(=O)c1cncn1-c1ccccc1)C1CC1 ZINC001317552146 1147723867 /nfs/dbraw/zinc/72/38/67/1147723867.db2.gz PKCQUAQVPBDYIE-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN Cc1nscc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001317579040 1147728302 /nfs/dbraw/zinc/72/83/02/1147728302.db2.gz GEXLXYSRZXJMDX-UHFFFAOYSA-N 0 3 320.443 2.247 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)C[C@@H](C)n1ccnc1)c1ccccc1 ZINC001317723388 1147747437 /nfs/dbraw/zinc/74/74/37/1147747437.db2.gz GLJZMGQSYJSXTL-AEFFLSMTSA-N 0 3 324.428 2.305 20 30 DEEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cncn1 ZINC001318193317 1147794843 /nfs/dbraw/zinc/79/48/43/1147794843.db2.gz PRBUFCDFABAGLQ-JYJNAYRXSA-N 0 3 319.453 2.095 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCOC1 ZINC001318202034 1147796771 /nfs/dbraw/zinc/79/67/71/1147796771.db2.gz YBFVPAAGZJWFRJ-NJAFHUGGSA-N 0 3 318.461 2.467 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001318363197 1147816141 /nfs/dbraw/zinc/81/61/41/1147816141.db2.gz MFMIXCBLQYAFFB-OAHLLOKOSA-N 0 3 319.449 2.458 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001318370804 1147816804 /nfs/dbraw/zinc/81/68/04/1147816804.db2.gz JDLHACNLSDYQHL-JKSUJKDBSA-N 0 3 304.438 2.218 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001318404309 1147822103 /nfs/dbraw/zinc/82/21/03/1147822103.db2.gz ZPXAIZUJFZVMEU-WBVHZDCISA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(COC)CCCCC2)C1 ZINC001318407317 1147822843 /nfs/dbraw/zinc/82/28/43/1147822843.db2.gz NZXBVSDVZYYKOB-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCN1CC[C@](C)(NC(=O)COc2cccc(Cl)c2)C1 ZINC001324670012 1147828875 /nfs/dbraw/zinc/82/88/75/1147828875.db2.gz UJTYCIDABABYKS-KRWDZBQOSA-N 0 3 320.820 2.323 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001324679203 1147830594 /nfs/dbraw/zinc/83/05/94/1147830594.db2.gz BDANXBIPSDQTCB-SJLPKXTDSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccc(OC)c(C)c2)CC1 ZINC001324893116 1147856165 /nfs/dbraw/zinc/85/61/65/1147856165.db2.gz QBUHSDJLLAHZSJ-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCCN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001325946447 1148022750 /nfs/dbraw/zinc/02/27/50/1148022750.db2.gz SDTLTDYUBQUMNV-JKSUJKDBSA-N 0 3 318.417 2.327 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)c1ccccc1C(C)(C)C ZINC001326041165 1148034180 /nfs/dbraw/zinc/03/41/80/1148034180.db2.gz DMNIHMNQELJNIU-UHFFFAOYSA-N 0 3 316.445 2.032 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001326398535 1148092214 /nfs/dbraw/zinc/09/22/14/1148092214.db2.gz QHIYYZMPRNAFES-GFCCVEGCSA-N 0 3 311.788 2.415 20 30 DEEDHN CO[C@H](C)CN(C)Cc1ccccc1CNC(=O)C#CC(C)C ZINC001326450287 1148103822 /nfs/dbraw/zinc/10/38/22/1148103822.db2.gz ZPNXDGJPPRTKMT-MRXNPFEDSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccnc(C)n1 ZINC001326491858 1148114357 /nfs/dbraw/zinc/11/43/57/1148114357.db2.gz IITQPGFYZLIXGX-UHFFFAOYSA-N 0 3 310.401 2.333 20 30 DEEDHN C#CCNC1(CNC(=O)CCCc2csc(C)n2)CCC1 ZINC001326821323 1148259791 /nfs/dbraw/zinc/25/97/91/1148259791.db2.gz CWWWFHBGXNNPOA-UHFFFAOYSA-N 0 3 305.447 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)NCC1(NCC(=O)N(C)C(C)C)CCC1 ZINC001326889652 1148281363 /nfs/dbraw/zinc/28/13/63/1148281363.db2.gz FTUHDMRSVXYCJD-UHFFFAOYSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001327130325 1148333040 /nfs/dbraw/zinc/33/30/40/1148333040.db2.gz LNTXFVATKYHHKB-GVDBMIGSSA-N 0 3 320.477 2.289 20 30 DEEDHN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001327145666 1148336660 /nfs/dbraw/zinc/33/66/60/1148336660.db2.gz DYEUABBAQJQTOB-IXDOHACOSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCOc1ccccc1CNC(=O)C1CCN(C2CC2)CC1 ZINC000278328601 214094551 /nfs/dbraw/zinc/09/45/51/214094551.db2.gz KQEJCUIVYJVRFH-UHFFFAOYSA-N 0 3 312.413 2.189 20 30 DEEDHN COc1ccc(OC)c([C@H](O)CNCc2cccc(C#N)c2)c1 ZINC000078877862 185122148 /nfs/dbraw/zinc/12/21/48/185122148.db2.gz TXHQABSYCWDTLC-QGZVFWFLSA-N 0 3 312.369 2.399 20 30 DEEDHN C=C[C@@H](O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000612583087 361865352 /nfs/dbraw/zinc/86/53/52/361865352.db2.gz FXNDADPSNKJRIA-MRXNPFEDSA-N 0 3 304.390 2.037 20 30 DEEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 ZINC000272071043 530032045 /nfs/dbraw/zinc/03/20/45/530032045.db2.gz YZMYZTONBAUJRQ-GFCCVEGCSA-N 0 3 309.435 2.185 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000615416047 362605361 /nfs/dbraw/zinc/60/53/61/362605361.db2.gz OKWGLTRGZNBJDN-GDBMZVCRSA-N 0 3 308.447 2.064 20 30 DEEDHN CN(C)C1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCC1 ZINC000279628027 215018325 /nfs/dbraw/zinc/01/83/25/215018325.db2.gz BLYJYZZMYUYUAU-UHFFFAOYSA-N 0 3 324.384 2.427 20 30 DEEDHN CC[C@@]1(NCC(=O)N(CCC#N)c2ccccc2)CCOC1 ZINC000616866178 362952593 /nfs/dbraw/zinc/95/25/93/362952593.db2.gz SZVZOKHOVMAWNQ-QGZVFWFLSA-N 0 3 301.390 2.092 20 30 DEEDHN CC[N@H+](CCCOC(=O)N=C(N)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000172074468 198035212 /nfs/dbraw/zinc/03/52/12/198035212.db2.gz VWPKRLJJRABZGJ-GFCCVEGCSA-N 0 3 318.377 2.136 20 30 DEEDHN CC[N@@H+](CCCOC(=O)N=C(N)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000172074468 198035213 /nfs/dbraw/zinc/03/52/13/198035213.db2.gz VWPKRLJJRABZGJ-GFCCVEGCSA-N 0 3 318.377 2.136 20 30 DEEDHN CC[N@H+](CCCOC([O-])=NC(N)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000172074468 198035214 /nfs/dbraw/zinc/03/52/14/198035214.db2.gz VWPKRLJJRABZGJ-GFCCVEGCSA-N 0 3 318.377 2.136 20 30 DEEDHN CC[N@@H+](CCCOC([O-])=NC(N)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000172074468 198035215 /nfs/dbraw/zinc/03/52/15/198035215.db2.gz VWPKRLJJRABZGJ-GFCCVEGCSA-N 0 3 318.377 2.136 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCCc1ccc(C#N)cc1 ZINC000595501058 358466288 /nfs/dbraw/zinc/46/62/88/358466288.db2.gz RKBLEJYADCCFFO-KRWDZBQOSA-N 0 3 314.433 2.274 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@H](C)Oc2cccc(F)c2)CC1 ZINC000172741154 198143684 /nfs/dbraw/zinc/14/36/84/198143684.db2.gz LAQDVBZSRFYYMX-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000329810230 539930502 /nfs/dbraw/zinc/93/05/02/539930502.db2.gz QNFMXJJXQFJYAM-RRFJBIMHSA-N 0 3 309.454 2.464 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)NC1CCN(C3CC3)CC1)C2 ZINC000329855658 539930746 /nfs/dbraw/zinc/93/07/46/539930746.db2.gz UFFAYGQXPGPQCY-ZDUSSCGKSA-N 0 3 302.422 2.337 20 30 DEEDHN Cc1c(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000182081262 199384817 /nfs/dbraw/zinc/38/48/17/199384817.db2.gz QALUECJVPCLTOV-UHFFFAOYSA-N 0 3 323.444 2.354 20 30 DEEDHN C#CCCOc1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1 ZINC000174638273 198363786 /nfs/dbraw/zinc/36/37/86/198363786.db2.gz SYRUHIPBXPZYSD-UHFFFAOYSA-N 0 3 323.458 2.392 20 30 DEEDHN C[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)N1CCC(C)CC1 ZINC000595548756 358479484 /nfs/dbraw/zinc/47/94/84/358479484.db2.gz ZJJITVVJMGSTHS-HZPDHXFCSA-N 0 3 306.454 2.442 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000617781667 363262961 /nfs/dbraw/zinc/26/29/61/363262961.db2.gz RMCFNHWLTNSCSE-HNNXBMFYSA-N 0 3 317.433 2.450 20 30 DEEDHN CN(C)[C@H](CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000017794034 354042233 /nfs/dbraw/zinc/04/22/33/354042233.db2.gz AAXPUVLTUJBCDK-SFHVURJKSA-N 0 3 307.397 2.461 20 30 DEEDHN N#Cc1ccc(CCC(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000024617510 354066752 /nfs/dbraw/zinc/06/67/52/354066752.db2.gz OGRRGZQQZRCBHH-UHFFFAOYSA-N 0 3 320.396 2.235 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C#N)cc1 ZINC000056787159 354543564 /nfs/dbraw/zinc/54/35/64/354543564.db2.gz FBVFRJVYFRBGMZ-HUUCEWRRSA-N 0 3 314.433 2.478 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000057569161 354573715 /nfs/dbraw/zinc/57/37/15/354573715.db2.gz QKSGNPVNOCXRJR-HOTGVXAUSA-N 0 3 302.422 2.297 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000066189542 354703880 /nfs/dbraw/zinc/70/38/80/354703880.db2.gz GOXHEJZSRWASOB-PBHICJAKSA-N 0 3 312.417 2.499 20 30 DEEDHN C=CCCO[C@H](C)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000066663002 354727272 /nfs/dbraw/zinc/72/72/72/354727272.db2.gz XKYGSFCYNJDKSW-CQSZACIVSA-N 0 3 320.437 2.460 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000069077986 354846487 /nfs/dbraw/zinc/84/64/87/354846487.db2.gz XDWIXFFIMVXTFV-KRWDZBQOSA-N 0 3 305.466 2.137 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCS1 ZINC000075193112 355072096 /nfs/dbraw/zinc/07/20/96/355072096.db2.gz UVOLSUAOGFDAFE-INIZCTEOSA-N 0 3 317.458 2.344 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H](N4CCCC4)C3)o2)c1 ZINC000075685376 355102010 /nfs/dbraw/zinc/10/20/10/355102010.db2.gz IXDKJYRTRDVUFK-INIZCTEOSA-N 0 3 323.400 2.278 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 ZINC000091478941 355598614 /nfs/dbraw/zinc/59/86/14/355598614.db2.gz OLZYVLCPWARCCR-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN COCCN(CCCc1cnn(C)c1)Cc1ccc(C#N)cc1 ZINC000123406587 355805292 /nfs/dbraw/zinc/80/52/92/355805292.db2.gz GQWBSYLECMRNJO-UHFFFAOYSA-N 0 3 312.417 2.373 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1OC ZINC000144397879 355902307 /nfs/dbraw/zinc/90/23/07/355902307.db2.gz BKVHCZGQVJNQPX-CQSZACIVSA-N 0 3 316.401 2.227 20 30 DEEDHN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(C#N)cc1 ZINC000180141718 356043546 /nfs/dbraw/zinc/04/35/46/356043546.db2.gz MYCKWQWBDRCMEB-CYBMUJFWSA-N 0 3 309.369 2.273 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000182542966 356131455 /nfs/dbraw/zinc/13/14/55/356131455.db2.gz WUTRTILXYHHWOT-GDBMZVCRSA-N 0 3 300.406 2.282 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000182582010 356132433 /nfs/dbraw/zinc/13/24/33/356132433.db2.gz QVTJOULBSKOYBH-ZBFHGGJFSA-N 0 3 300.406 2.110 20 30 DEEDHN C[C@H](C#N)CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000182857837 356149720 /nfs/dbraw/zinc/14/97/20/356149720.db2.gz BVPBSUQSRDNTGW-GFCCVEGCSA-N 0 3 324.375 2.198 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595608981 358500777 /nfs/dbraw/zinc/50/07/77/358500777.db2.gz DJQAGYQFIZJGRV-IRXDYDNUSA-N 0 3 313.401 2.118 20 30 DEEDHN Cn1cncc1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000289698459 356376863 /nfs/dbraw/zinc/37/68/63/356376863.db2.gz INFJDDBKEJTHHC-UHFFFAOYSA-N 0 3 309.417 2.046 20 30 DEEDHN C[C@H]1C[C@]1(C#N)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000351092383 356612009 /nfs/dbraw/zinc/61/20/09/356612009.db2.gz CDJXJMCNIIUMBM-YVEFUNNKSA-N 0 3 312.373 2.478 20 30 DEEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(c2)CCS3(=O)=O)C1 ZINC000618572063 363530804 /nfs/dbraw/zinc/53/08/04/363530804.db2.gz PAWHKMKYQIQCJU-WFASDCNBSA-N 0 3 304.415 2.188 20 30 DEEDHN C[C@H]1C[C@]1(C#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000351178846 356626919 /nfs/dbraw/zinc/62/69/19/356626919.db2.gz SWFRBILCZMZREC-YVEFUNNKSA-N 0 3 312.373 2.478 20 30 DEEDHN CCN(C)C[C@@H](O)COc1ccc(Br)cc1C#N ZINC000386183040 356693926 /nfs/dbraw/zinc/69/39/26/356693926.db2.gz ULPPTMYVLDWGLW-GFCCVEGCSA-N 0 3 313.195 2.012 20 30 DEEDHN C=C[C@H](NCC1(N(C)Cc2ccccc2)CCC1)C(=O)OC ZINC000386787788 356698783 /nfs/dbraw/zinc/69/87/83/356698783.db2.gz NSPFKAZJVKGURX-INIZCTEOSA-N 0 3 302.418 2.358 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2cccs2)cc1F ZINC000404186735 356732661 /nfs/dbraw/zinc/73/26/61/356732661.db2.gz JTKWWYZFQBZLRR-CQSZACIVSA-N 0 3 320.389 2.426 20 30 DEEDHN CCCN(CCN1CCCCC1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000353142129 283250214 /nfs/dbraw/zinc/25/02/14/283250214.db2.gz RLIIMLVGBNUMLS-GOSISDBHSA-N 0 3 322.497 2.239 20 30 DEEDHN CN(C[C@@H](O)CNc1cccc(OCCCC#N)c1)C1CC1 ZINC000581812249 357249022 /nfs/dbraw/zinc/24/90/22/357249022.db2.gz PYCPEDLELVKSFI-INIZCTEOSA-N 0 3 303.406 2.236 20 30 DEEDHN Cc1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)ncn1 ZINC000586791384 357371177 /nfs/dbraw/zinc/37/11/77/357371177.db2.gz HNLZEEYMURRBHV-UHFFFAOYSA-N 0 3 307.401 2.415 20 30 DEEDHN N#C[C@]1(F)CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000585753850 357352795 /nfs/dbraw/zinc/35/27/95/357352795.db2.gz DHNRUWAUMMTIEM-QZTJIDSGSA-N 0 3 317.408 2.215 20 30 DEEDHN CS[C@@H]1CN(C(=O)CCCCCC#N)C[C@H]1N1CCCC1 ZINC000588678009 357417635 /nfs/dbraw/zinc/41/76/35/357417635.db2.gz QVKHJPCRTHNKLW-HUUCEWRRSA-N 0 3 309.479 2.499 20 30 DEEDHN Cc1ccc(NC(=O)c2cccc(C#N)n2)c(OCCN(C)C)c1 ZINC000589778664 357495705 /nfs/dbraw/zinc/49/57/05/357495705.db2.gz CSFANUBPTSQIQW-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C[C@@](CO)(NCCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000590161666 357523328 /nfs/dbraw/zinc/52/33/28/357523328.db2.gz DPUUFHCSFWYJGO-AWEZNQCLSA-N 0 3 316.323 2.433 20 30 DEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000590215641 357526317 /nfs/dbraw/zinc/52/63/17/357526317.db2.gz NEJRVSDJMFKACO-INIZCTEOSA-N 0 3 314.433 2.181 20 30 DEEDHN N#CC1CCC(CNC(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000591357789 357712836 /nfs/dbraw/zinc/71/28/36/357712836.db2.gz MVMFUZCQLUOKPD-UHFFFAOYSA-N 0 3 312.417 2.419 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@H](C)O2)CC1 ZINC000660598366 540310035 /nfs/dbraw/zinc/31/00/35/540310035.db2.gz XMFZCSBHVJKNBL-GOEBONIOSA-N 0 3 309.454 2.284 20 30 DEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000593426908 358075461 /nfs/dbraw/zinc/07/54/61/358075461.db2.gz PNQNPYLDUDCFOL-ZDUSSCGKSA-N 0 3 309.360 2.405 20 30 DEEDHN CCc1nnc(N(C)CCN2CCCCC2)c(C#N)c1CC ZINC000593518353 358096048 /nfs/dbraw/zinc/09/60/48/358096048.db2.gz XVJUYTSRNMSYLW-UHFFFAOYSA-N 0 3 301.438 2.395 20 30 DEEDHN CS[C@@H]1CCCC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000593653929 358117762 /nfs/dbraw/zinc/11/77/62/358117762.db2.gz KDIXTWYJOXBUJF-ZIAGYGMSSA-N 0 3 301.419 2.365 20 30 DEEDHN N#Cc1cccc(CN2CCC(NCc3csnn3)CC2)c1 ZINC000593701970 358127259 /nfs/dbraw/zinc/12/72/59/358127259.db2.gz JATJNLINVMHZLB-UHFFFAOYSA-N 0 3 313.430 2.164 20 30 DEEDHN CCC(C#N)C(=O)NC[C@](CC)(C(=O)OC)c1ccccc1 ZINC000593741430 358134084 /nfs/dbraw/zinc/13/40/84/358134084.db2.gz ASNYAXTXFFWNAQ-GUYCJALGSA-N 0 3 302.374 2.173 20 30 DEEDHN C#CCOc1ccccc1CN1CCC(CC(=O)N(C)C)CC1 ZINC000180326528 199146710 /nfs/dbraw/zinc/14/67/10/199146710.db2.gz SZHQESVLNXKYSS-UHFFFAOYSA-N 0 3 314.429 2.389 20 30 DEEDHN COCCCN(C)CCNC(=O)Nc1scc(C)c1C#N ZINC000594110681 358207562 /nfs/dbraw/zinc/20/75/62/358207562.db2.gz BDRMIMIXHFPJNO-UHFFFAOYSA-N 0 3 310.423 2.018 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594204733 358223738 /nfs/dbraw/zinc/22/37/38/358223738.db2.gz XULXACWALVRUEP-CVEARBPZSA-N 0 3 313.401 2.070 20 30 DEEDHN Cc1ccc(OCCN(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594428948 358267112 /nfs/dbraw/zinc/26/71/12/358267112.db2.gz OYRURPJKOIOHJR-MRXNPFEDSA-N 0 3 303.406 2.244 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000594437776 358270588 /nfs/dbraw/zinc/27/05/88/358270588.db2.gz PGSKAFMNBFBITJ-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN COc1cc(CNCC(C)(C)[C@@]2(O)CCCOC2)ccc1C#N ZINC000594995324 358375101 /nfs/dbraw/zinc/37/51/01/358375101.db2.gz ICWIAYQCVZAQMG-GOSISDBHSA-N 0 3 318.417 2.224 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1[C@H](C)CO ZINC000595675468 358518438 /nfs/dbraw/zinc/51/84/38/358518438.db2.gz NBQKFWMBAVANFA-GDBMZVCRSA-N 0 3 318.417 2.429 20 30 DEEDHN N#Cc1cc2c(nc1NCCCN1CCC(O)CC1)CCCC2 ZINC000596088097 358607825 /nfs/dbraw/zinc/60/78/25/358607825.db2.gz WFRPQNVBCSPXMR-UHFFFAOYSA-N 0 3 314.433 2.091 20 30 DEEDHN C[C@H](c1ccncc1)N1CCC(Nc2c(C#N)cnn2C)CC1 ZINC000596172815 358629855 /nfs/dbraw/zinc/62/98/55/358629855.db2.gz ZPLCOVCEGSYPPB-CYBMUJFWSA-N 0 3 310.405 2.324 20 30 DEEDHN N#Cc1ccc(CCNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000595938057 358584385 /nfs/dbraw/zinc/58/43/85/358584385.db2.gz KUHGWDMSDQAQCZ-SFHVURJKSA-N 0 3 305.381 2.104 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000596486769 358696737 /nfs/dbraw/zinc/69/67/37/358696737.db2.gz AFTUSQYSTMFHFA-GFCCVEGCSA-N 0 3 303.366 2.394 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618850104 363616424 /nfs/dbraw/zinc/61/64/24/363616424.db2.gz VGQRTHZFDJVTDL-RDJZCZTQSA-N 0 3 312.417 2.281 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)[C@H]2C1 ZINC000618854322 363617470 /nfs/dbraw/zinc/61/74/70/363617470.db2.gz VAAMFUMXSJTYCU-JLSDUUJJSA-N 0 3 324.428 2.281 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185377623 199845222 /nfs/dbraw/zinc/84/52/22/199845222.db2.gz LXBDOPIPBRJWJJ-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN COc1ccc(CNC2([C@@H](C)O)CC2)cc1OCCCC#N ZINC000597234018 358863342 /nfs/dbraw/zinc/86/33/42/358863342.db2.gz GCMIOWQOOZYFKX-CYBMUJFWSA-N 0 3 304.390 2.381 20 30 DEEDHN C=CC[C@H](C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1ccccc1 ZINC000627264008 366493374 /nfs/dbraw/zinc/49/33/74/366493374.db2.gz MREQTYPENJNAIV-SQNIBIBYSA-N 0 3 314.429 2.014 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C(F)(F)F)C2)cc1 ZINC000597313612 358885872 /nfs/dbraw/zinc/88/58/72/358885872.db2.gz XYGRGBBZIMMUCK-GFCCVEGCSA-N 0 3 307.275 2.261 20 30 DEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000597921951 359041472 /nfs/dbraw/zinc/04/14/72/359041472.db2.gz IHJFGNXCQVRKCA-LLVKDONJSA-N 0 3 306.797 2.209 20 30 DEEDHN Cc1nccc([C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1 ZINC000598585717 359250653 /nfs/dbraw/zinc/25/06/53/359250653.db2.gz JZROAYMNFYCOFD-CABCVRRESA-N 0 3 302.422 2.265 20 30 DEEDHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598587396 359251193 /nfs/dbraw/zinc/25/11/93/359251193.db2.gz AAQUKDNEXZQFFC-CABCVRRESA-N 0 3 304.438 2.475 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000598603144 359257403 /nfs/dbraw/zinc/25/74/03/359257403.db2.gz YGHYVGNRVBYBNV-CYBMUJFWSA-N 0 3 302.374 2.295 20 30 DEEDHN CCc1cccc(NC(=O)CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598721153 359305427 /nfs/dbraw/zinc/30/54/27/359305427.db2.gz SXDFOYJSPRPYKA-OAHLLOKOSA-N 0 3 303.406 2.078 20 30 DEEDHN N#Cc1cnc(C(=O)NCCN2CCCCCC2)c(Cl)c1 ZINC000427897614 237035440 /nfs/dbraw/zinc/03/54/40/237035440.db2.gz QKFOCQNGTKZNMM-UHFFFAOYSA-N 0 3 306.797 2.212 20 30 DEEDHN C=C(C)[C@H](NC[C@H](O)Cn1cccn1)c1ccc(F)c(F)c1 ZINC000187771433 200155195 /nfs/dbraw/zinc/15/51/95/200155195.db2.gz CMJFIEOHULTTFV-BBRMVZONSA-N 0 3 307.344 2.429 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000619002038 363664760 /nfs/dbraw/zinc/66/47/60/363664760.db2.gz NEOAJVXHKYUWIC-INIZCTEOSA-N 0 3 321.446 2.063 20 30 DEEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CSCC#N ZINC000436726622 237766798 /nfs/dbraw/zinc/76/67/98/237766798.db2.gz VJLNWACIQFKEEH-AWEZNQCLSA-N 0 3 303.431 2.153 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccccc1CC#N ZINC000601415486 360034267 /nfs/dbraw/zinc/03/42/67/360034267.db2.gz FOLPGTGRKRTMAE-CQSZACIVSA-N 0 3 323.462 2.151 20 30 DEEDHN CO[C@@](C)(CN1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000602432823 360369922 /nfs/dbraw/zinc/36/99/22/360369922.db2.gz JAIVQAQHASMARF-IBGZPJMESA-N 0 3 313.445 2.491 20 30 DEEDHN C[C@H](CCC#N)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602437557 360372023 /nfs/dbraw/zinc/37/20/23/360372023.db2.gz CATQQXYNOTWYHJ-CYBMUJFWSA-N 0 3 303.366 2.052 20 30 DEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)C2)cc1 ZINC000602406512 360359169 /nfs/dbraw/zinc/35/91/69/360359169.db2.gz RIIZBCUOHGLLCL-NVXWUHKLSA-N 0 3 314.433 2.370 20 30 DEEDHN CCC[C@@H](CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602631743 360467465 /nfs/dbraw/zinc/46/74/65/360467465.db2.gz RJAKAMGIJBHVHT-DLBZAZTESA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000602633249 360468157 /nfs/dbraw/zinc/46/81/57/360468157.db2.gz XJZFSAALFIFBBL-RHSMWYFYSA-N 0 3 320.408 2.418 20 30 DEEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC1(CC#N)CC1 ZINC000602769274 360543134 /nfs/dbraw/zinc/54/31/34/360543134.db2.gz UDALJYXDSDSPAX-GFCCVEGCSA-N 0 3 307.419 2.021 20 30 DEEDHN Cc1ncc(CNC(=O)CCN2CCC[C@@H](CC#N)C2)s1 ZINC000602884647 360608635 /nfs/dbraw/zinc/60/86/35/360608635.db2.gz QAUMKILCQVFQJE-ZDUSSCGKSA-N 0 3 306.435 2.084 20 30 DEEDHN N#CCCOCCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603142815 360719194 /nfs/dbraw/zinc/71/91/94/360719194.db2.gz FLOZHBKJOAHRBV-ZIAGYGMSSA-N 0 3 316.323 2.041 20 30 DEEDHN Cc1cc(CNCc2cccc(OCC(N)=O)c2)ccc1C#N ZINC000444003991 238135424 /nfs/dbraw/zinc/13/54/24/238135424.db2.gz PMCMZFBDKFPFRF-UHFFFAOYSA-N 0 3 309.369 2.021 20 30 DEEDHN CC[C@@H](N)c1cn(Cc2cc(C#N)ccc2Br)nn1 ZINC000603241322 360762401 /nfs/dbraw/zinc/76/24/01/360762401.db2.gz KHUJZBBWTOBGBX-GFCCVEGCSA-N 0 3 320.194 2.370 20 30 DEEDHN COCCN1CCC(Nc2ccc(C#N)cc2COC)CC1 ZINC000603277197 360775182 /nfs/dbraw/zinc/77/51/82/360775182.db2.gz CLAMDGBAYMIASM-UHFFFAOYSA-N 0 3 303.406 2.227 20 30 DEEDHN CCN1CCN([C@H](C)CNc2ccc(C#N)cc2COC)CC1 ZINC000603283648 360776881 /nfs/dbraw/zinc/77/68/81/360776881.db2.gz LGPFDWIRYRTHRA-OAHLLOKOSA-N 0 3 316.449 2.143 20 30 DEEDHN CCN1CCCN(c2ccc(C#N)cc2COCCOC)CC1 ZINC000603298224 360782831 /nfs/dbraw/zinc/78/28/31/360782831.db2.gz XCVRNZXJLHMWKN-UHFFFAOYSA-N 0 3 317.433 2.253 20 30 DEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC(C)(C)C#N)C1 ZINC000611637892 361651776 /nfs/dbraw/zinc/65/17/76/361651776.db2.gz ZSUOOACFXCMEAU-MRXNPFEDSA-N 0 3 314.433 2.452 20 30 DEEDHN COC(=O)c1ccc(Cl)c(CNC2CCN(CC#N)CC2)c1 ZINC000619509086 363816019 /nfs/dbraw/zinc/81/60/19/363816019.db2.gz ZKXQLTZYZVAVNK-UHFFFAOYSA-N 0 3 321.808 2.204 20 30 DEEDHN C[C@H]1C[C@@H](O)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000449780854 241067328 /nfs/dbraw/zinc/06/73/28/241067328.db2.gz WDLUISYYROTNBN-SUMWQHHRSA-N 0 3 310.401 2.161 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2cn3cc(C)sc3n2)CC1 ZINC000630943810 367925972 /nfs/dbraw/zinc/92/59/72/367925972.db2.gz QVAATJHKGZEJJB-UHFFFAOYSA-N 0 3 318.446 2.013 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2(C)Cc3ccccc3C2)CC1 ZINC000092237353 193177957 /nfs/dbraw/zinc/17/79/57/193177957.db2.gz WDRAMTZVSQTQBD-UHFFFAOYSA-N 0 3 313.445 2.494 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000451478062 243009761 /nfs/dbraw/zinc/00/97/61/243009761.db2.gz ISYGHWGAUDHWHU-HOTGVXAUSA-N 0 3 313.401 2.434 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451494039 243028033 /nfs/dbraw/zinc/02/80/33/243028033.db2.gz HTRRHOQDCHOUNQ-ILXRZTDVSA-N 0 3 309.454 2.176 20 30 DEEDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000451499269 243035417 /nfs/dbraw/zinc/03/54/17/243035417.db2.gz XDHUJQYWFGFCPU-WMLDXEAASA-N 0 3 301.390 2.290 20 30 DEEDHN C=C(C)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000453887861 245341043 /nfs/dbraw/zinc/34/10/43/245341043.db2.gz XXBSCQRAAWOXIK-UHFFFAOYSA-N 0 3 303.406 2.078 20 30 DEEDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2C#N)CCCO1 ZINC000278228363 214035093 /nfs/dbraw/zinc/03/50/93/214035093.db2.gz SLGYGKQMWDILFA-ZDUSSCGKSA-N 0 3 318.377 2.379 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=O)NC1CCN(CC)CC1 ZINC000266081815 205082654 /nfs/dbraw/zinc/08/26/54/205082654.db2.gz GDOWZBMETKVZAM-UHFFFAOYSA-N 0 3 319.380 2.444 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456334133 247098579 /nfs/dbraw/zinc/09/85/79/247098579.db2.gz LZNSURLYFDCFKH-LPHOPBHVSA-N 0 3 316.445 2.294 20 30 DEEDHN C=CCC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)OCC ZINC000456635316 247330945 /nfs/dbraw/zinc/33/09/45/247330945.db2.gz XCNGNIKGSGCJGH-HUUCEWRRSA-N 0 3 310.438 2.265 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1F ZINC000458299720 248253127 /nfs/dbraw/zinc/25/31/27/248253127.db2.gz UKVHLGNPNMSBEK-UHFFFAOYSA-N 0 3 316.336 2.218 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](CO)CC(C)(C)C)CC1 ZINC000458319281 248260409 /nfs/dbraw/zinc/26/04/09/248260409.db2.gz FFKZDTZRBJODHN-HNNXBMFYSA-N 0 3 311.470 2.075 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3cncnc3)cc2)CC1 ZINC000490655640 248877070 /nfs/dbraw/zinc/87/70/70/248877070.db2.gz BIWOFQBVRIUCEN-UHFFFAOYSA-N 0 3 320.396 2.427 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)OC(C)(C)C)C(C)C ZINC000274121237 211373688 /nfs/dbraw/zinc/37/36/88/211373688.db2.gz YVCHTUSXKBWSIJ-CQSZACIVSA-N 0 3 310.438 2.143 20 30 DEEDHN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000274057100 211314604 /nfs/dbraw/zinc/31/46/04/211314604.db2.gz PWXNDKMLYYJELO-CMPLNLGQSA-N 0 3 307.781 2.165 20 30 DEEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104978763 194061572 /nfs/dbraw/zinc/06/15/72/194061572.db2.gz NUWWPDZLEBCWSO-UHFFFAOYSA-N 0 3 324.812 2.254 20 30 DEEDHN CCCN(CCN1CCCC1)C(=O)c1ncc(C#N)cc1C ZINC000552368116 291718074 /nfs/dbraw/zinc/71/80/74/291718074.db2.gz JNHMARXERLYCSW-UHFFFAOYSA-N 0 3 300.406 2.210 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000106036700 194180924 /nfs/dbraw/zinc/18/09/24/194180924.db2.gz CXAGXAVVVRTFTB-UHFFFAOYSA-N 0 3 302.422 2.059 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000106038185 194181364 /nfs/dbraw/zinc/18/13/64/194181364.db2.gz RMHFDQVENHPROR-UHFFFAOYSA-N 0 3 318.465 2.126 20 30 DEEDHN CC(=O)c1csc(C(=O)N(CCC#N)CCCN(C)C)c1 ZINC000106752501 194249973 /nfs/dbraw/zinc/24/99/73/194249973.db2.gz XLYYWOJQSLZLPL-UHFFFAOYSA-N 0 3 307.419 2.258 20 30 DEEDHN CC(C)[C@@H](C(=O)NCCSCc1ccccc1C#N)N(C)C ZINC000269114065 207251089 /nfs/dbraw/zinc/25/10/89/207251089.db2.gz SABLXKXLQBSGQC-INIZCTEOSA-N 0 3 319.474 2.494 20 30 DEEDHN CCN(C[C@@H]1CCCO1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280106329 285027289 /nfs/dbraw/zinc/02/72/89/285027289.db2.gz SYJAGMLKDWGEMM-SJORKVTESA-N 0 3 311.385 2.268 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C(C)C ZINC000270062824 208119296 /nfs/dbraw/zinc/11/92/96/208119296.db2.gz PJHCYWQYHVXQMQ-FUHWJXTLSA-N 0 3 308.466 2.352 20 30 DEEDHN COCCOCCOCCN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000276121030 285098173 /nfs/dbraw/zinc/09/81/73/285098173.db2.gz BJHFGJHZRXDVTG-HNNXBMFYSA-N 0 3 306.406 2.231 20 30 DEEDHN COc1ccc([C@@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)cc1 ZINC000249855865 533145983 /nfs/dbraw/zinc/14/59/83/533145983.db2.gz DCNOZFZOIWDXQJ-GDBMZVCRSA-N 0 3 315.417 2.245 20 30 DEEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000155284595 197039235 /nfs/dbraw/zinc/03/92/35/197039235.db2.gz HGDCGIUZABCNDC-CYBMUJFWSA-N 0 3 300.406 2.273 20 30 DEEDHN CO[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424123246 533178050 /nfs/dbraw/zinc/17/80/50/533178050.db2.gz KPIDSPUORPFXEN-ZIAGYGMSSA-N 0 3 309.797 2.165 20 30 DEEDHN C#CCSCCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000152955129 196838479 /nfs/dbraw/zinc/83/84/79/196838479.db2.gz YXCBJLLZNASKRP-UHFFFAOYSA-N 0 3 321.368 2.126 20 30 DEEDHN N#Cc1cccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c1F ZINC000562471268 291987044 /nfs/dbraw/zinc/98/70/44/291987044.db2.gz OVYPBCRRUNSNML-IRXDYDNUSA-N 0 3 317.408 2.430 20 30 DEEDHN COc1ccccc1[C@H](CNCc1cc(C#N)n(C)c1)N(C)C ZINC000359974892 133155694 /nfs/dbraw/zinc/15/56/94/133155694.db2.gz IISOPLKOAGFULJ-KRWDZBQOSA-N 0 3 312.417 2.298 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(CCCO)CC1 ZINC000360086458 133160712 /nfs/dbraw/zinc/16/07/12/133160712.db2.gz DKJHXPCCHNUYLU-UHFFFAOYSA-N 0 3 321.446 2.433 20 30 DEEDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1O ZINC000360213438 133169378 /nfs/dbraw/zinc/16/93/78/133169378.db2.gz OYRYARPPDUHCOG-DYVFJYSZSA-N 0 3 310.401 2.161 20 30 DEEDHN Cc1nnc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)s1 ZINC000329863276 404474318 /nfs/dbraw/zinc/47/43/18/404474318.db2.gz ZALSEEPEMGHQBQ-WCABBAIRSA-N 0 3 309.439 2.036 20 30 DEEDHN C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000564203361 292088310 /nfs/dbraw/zinc/08/83/10/292088310.db2.gz OSRXXLIAVQDTMG-IPYPFGDCSA-N 0 3 321.446 2.141 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](c3cccnc3)C2)cc1 ZINC000564449175 292095787 /nfs/dbraw/zinc/09/57/87/292095787.db2.gz XNFDZOKBFYVEKA-ZWKOTPCHSA-N 0 3 323.396 2.182 20 30 DEEDHN C[C@@H]1[C@@H](CO)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000414020581 404480908 /nfs/dbraw/zinc/48/09/08/404480908.db2.gz DTNFFVVCTKURHR-HYVNUMGLSA-N 0 3 300.402 2.378 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cnn1C ZINC000329891083 404484280 /nfs/dbraw/zinc/48/42/80/404484280.db2.gz HHWIUSUUYHLDSH-UYHMYPTGSA-N 0 3 320.437 2.245 20 30 DEEDHN CN(C)C1(CNS(=O)(=O)CCCCC#N)CCCCCC1 ZINC000344986396 404484931 /nfs/dbraw/zinc/48/49/31/404484931.db2.gz SBIADGYIXBKGDO-UHFFFAOYSA-N 0 3 315.483 2.254 20 30 DEEDHN COC(=O)c1ccc(NC[C@@H](C)N2CCCC[C@H]2C)c(C#N)n1 ZINC000565315328 292154777 /nfs/dbraw/zinc/15/47/77/292154777.db2.gz UCOPGRFXFOLMOI-CHWSQXEVSA-N 0 3 316.405 2.415 20 30 DEEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000358793794 147205687 /nfs/dbraw/zinc/20/56/87/147205687.db2.gz ROZLFHXQNXHXOD-FRRDWIJNSA-N 0 3 317.389 2.063 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c(C#N)c1C ZINC000375425383 148370650 /nfs/dbraw/zinc/37/06/50/148370650.db2.gz GMBGWVBDAVLENU-LKTVYLICSA-N 0 3 317.389 2.252 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000127248409 401726087 /nfs/dbraw/zinc/72/60/87/401726087.db2.gz SFTRTOHWPMPBHF-INIZCTEOSA-N 0 3 305.422 2.181 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000074132475 401731026 /nfs/dbraw/zinc/73/10/26/401731026.db2.gz RRWIYYLSNWWDPZ-MAUKXSAKSA-N 0 3 323.481 2.482 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000329901776 404488329 /nfs/dbraw/zinc/48/83/29/404488329.db2.gz OVOIBWYTYLIIMR-ZNMIVQPWSA-N 0 3 319.453 2.218 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(/C=N/OC)cc1 ZINC000110994983 401697278 /nfs/dbraw/zinc/69/72/78/401697278.db2.gz ZZUFWFGDAJMDKK-QUYZQLMHSA-N 0 3 303.406 2.271 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(n2ccnc2)CC1 ZINC000111243245 401702694 /nfs/dbraw/zinc/70/26/94/401702694.db2.gz BOOFITCKMGBLGA-HNNXBMFYSA-N 0 3 304.438 2.333 20 30 DEEDHN CCOCCON=C(N)c1ccccc1CN1CCCCC1 ZINC000127812974 401750946 /nfs/dbraw/zinc/75/09/46/401750946.db2.gz VWRDAVZKQAEUMX-UHFFFAOYSA-N 0 3 305.422 2.346 20 30 DEEDHN C=C[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000128590406 401784380 /nfs/dbraw/zinc/78/43/80/401784380.db2.gz ZMOUOVDABBQQTA-RRFJBIMHSA-N 0 3 309.454 2.092 20 30 DEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2nc(C)c(C)s2)CC1 ZINC000076476160 401795832 /nfs/dbraw/zinc/79/58/32/401795832.db2.gz XRPUOUQTKNJHMV-UHFFFAOYSA-N 0 3 319.474 2.456 20 30 DEEDHN COCc1ccc([C@@H]2CCCN2CCC(=O)N(C)CCC#N)o1 ZINC000131474822 401851269 /nfs/dbraw/zinc/85/12/69/401851269.db2.gz SEMYGAGCZBUUMF-HNNXBMFYSA-N 0 3 319.405 2.325 20 30 DEEDHN C=CC[C@H](C)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000116944796 401865157 /nfs/dbraw/zinc/86/51/57/401865157.db2.gz RMYZNIOYHOFNJF-AWEZNQCLSA-N 0 3 305.422 2.391 20 30 DEEDHN C=CCCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000117871934 401886632 /nfs/dbraw/zinc/88/66/32/401886632.db2.gz NHKCBGFNBYMZAH-UHFFFAOYSA-N 0 3 308.447 2.396 20 30 DEEDHN CC#CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000136053975 401958800 /nfs/dbraw/zinc/95/88/00/401958800.db2.gz YFAPMRXZWYPYMA-ZFWWWQNUSA-N 0 3 305.447 2.454 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccoc1 ZINC000119810487 401967617 /nfs/dbraw/zinc/96/76/17/401967617.db2.gz JDNFPILYHUHKDU-UHFFFAOYSA-N 0 3 311.385 2.284 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1Cc1ccccc1 ZINC000122495667 402081486 /nfs/dbraw/zinc/08/14/86/402081486.db2.gz ONTMYRKLJJXCDQ-CJNGLKHVSA-N 0 3 308.385 2.279 20 30 DEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000124456395 402180767 /nfs/dbraw/zinc/18/07/67/402180767.db2.gz GTZDGAIMOBWCAP-KRWDZBQOSA-N 0 3 308.466 2.474 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CNc1ccc(C#N)cc1 ZINC000068361441 402195604 /nfs/dbraw/zinc/19/56/04/402195604.db2.gz NUHMARXFXPYHOA-LSDHHAIUSA-N 0 3 314.433 2.207 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160400970 402344357 /nfs/dbraw/zinc/34/43/57/402344357.db2.gz PHDCRNKVCABBJE-XJKSGUPXSA-N 0 3 310.401 2.264 20 30 DEEDHN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185782407 402376580 /nfs/dbraw/zinc/37/65/80/402376580.db2.gz ZODAGJIKYYKCBT-GJZGRUSLSA-N 0 3 321.446 2.109 20 30 DEEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cnn(C)c1 ZINC000161700656 402396490 /nfs/dbraw/zinc/39/64/90/402396490.db2.gz WFZCKICKEYWLKF-ZDUSSCGKSA-N 0 3 310.405 2.006 20 30 DEEDHN Cc1cc(C#N)ccc1CN(C)C[C@H](O)COCCOC(C)C ZINC000186220683 402412102 /nfs/dbraw/zinc/41/21/02/402412102.db2.gz NDNFWTXEMVYNSE-SFHVURJKSA-N 0 3 320.433 2.101 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000177835768 402440108 /nfs/dbraw/zinc/44/01/08/402440108.db2.gz PBXKLDRDXYHHAU-FGTMMUONSA-N 0 3 311.429 2.274 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000245602857 402474043 /nfs/dbraw/zinc/47/40/43/402474043.db2.gz WJWBXBHKSCNRKX-LSDHHAIUSA-N 0 3 304.434 2.496 20 30 DEEDHN C[C@@H]1CN(CCC2CCN(C(=O)C(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000178254819 402476307 /nfs/dbraw/zinc/47/63/07/402476307.db2.gz UUNNNTPUOCDUHW-HUUCEWRRSA-N 0 3 321.465 2.274 20 30 DEEDHN COC[C@H](C)ON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000178309113 402483630 /nfs/dbraw/zinc/48/36/30/402483630.db2.gz OJOJLUHUOPHJFO-AWEZNQCLSA-N 0 3 305.422 2.344 20 30 DEEDHN C[C@H]1CN(CC#Cc2cccc(Cl)c2)CCN1CC(C)(C)O ZINC000189906420 402566460 /nfs/dbraw/zinc/56/64/60/402566460.db2.gz VFMHCGFXNMXYEY-HNNXBMFYSA-N 0 3 320.864 2.469 20 30 DEEDHN Cc1cc(N2CCC(NCc3ccc(C#N)o3)CC2)nc(C)n1 ZINC000178615088 402517832 /nfs/dbraw/zinc/51/78/32/402517832.db2.gz FAQYJHUAPVBKMB-UHFFFAOYSA-N 0 3 311.389 2.317 20 30 DEEDHN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1O ZINC000170779368 402524116 /nfs/dbraw/zinc/52/41/16/402524116.db2.gz KPXDJMPLJFWSBS-SFHVURJKSA-N 0 3 315.417 2.413 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000171722430 402614862 /nfs/dbraw/zinc/61/48/62/402614862.db2.gz GKPZGKCRMRPXLQ-UHFFFAOYSA-N 0 3 312.211 2.157 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000171721894 402615149 /nfs/dbraw/zinc/61/51/49/402615149.db2.gz BVSVJMYHVKAYBU-UHFFFAOYSA-N 0 3 303.362 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2ccc(C)cc2C)CC1 ZINC000171721968 402615154 /nfs/dbraw/zinc/61/51/54/402615154.db2.gz AZNOAAKROZAKRO-UHFFFAOYSA-N 0 3 302.418 2.449 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2cn3ccccc3n2)CC1 ZINC000171729124 402615796 /nfs/dbraw/zinc/61/57/96/402615796.db2.gz QHBNYBMHDPUWFH-UHFFFAOYSA-N 0 3 312.417 2.034 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccccn2)CC1 ZINC000171737795 402616824 /nfs/dbraw/zinc/61/68/24/402616824.db2.gz YRJROGMKKKQUHA-CQSZACIVSA-N 0 3 302.422 2.434 20 30 DEEDHN C[C@H]1Cc2ccccc2[C@H]1NCCNC(=O)C1N=CC=CC1=O ZINC000180867329 402628717 /nfs/dbraw/zinc/62/87/17/402628717.db2.gz RQROFSCSPGNPEV-REBLGXMHSA-N 0 3 311.385 2.036 20 30 DEEDHN CC[C@H](NCCC(=O)N(C)CCC#N)c1ccc(OC)cc1 ZINC000181837380 402658127 /nfs/dbraw/zinc/65/81/27/402658127.db2.gz TUWMEFYUPVRRTC-INIZCTEOSA-N 0 3 303.406 2.498 20 30 DEEDHN C[C@@](C#N)(NC(=O)CN[C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000181552657 402649584 /nfs/dbraw/zinc/64/95/84/402649584.db2.gz LUHAFAXSIHGYAB-MJGOQNOKSA-N 0 3 311.429 2.406 20 30 DEEDHN C[C@@](C#N)(NC(=O)CN[C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000181552621 402649772 /nfs/dbraw/zinc/64/97/72/402649772.db2.gz LUHAFAXSIHGYAB-HKUYNNGSSA-N 0 3 311.429 2.406 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccccc3)C2=O)cc1 ZINC000192243305 402719190 /nfs/dbraw/zinc/71/91/90/402719190.db2.gz XJYQDUUUTAYQLT-SFHVURJKSA-N 0 3 305.381 2.449 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000173274495 402690574 /nfs/dbraw/zinc/69/05/74/402690574.db2.gz MKIJVSAZMFHDJD-MRXNPFEDSA-N 0 3 302.418 2.489 20 30 DEEDHN CN(C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000255672910 402693807 /nfs/dbraw/zinc/69/38/07/402693807.db2.gz MPMSUXZZVNVFIT-BSDKJSHOSA-N 0 3 313.401 2.155 20 30 DEEDHN Cc1ccc(C#N)cc1NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000183133831 402741985 /nfs/dbraw/zinc/74/19/85/402741985.db2.gz KONNYWBXVLVPGC-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN COC(=O)C1CCN(CCCNc2ccc(C#N)cc2F)CC1 ZINC000263683793 402790300 /nfs/dbraw/zinc/79/03/00/402790300.db2.gz IPPOHXMJAAWSHN-UHFFFAOYSA-N 0 3 319.380 2.384 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000175480284 402810144 /nfs/dbraw/zinc/81/01/44/402810144.db2.gz FWPQILCVMONXRZ-CYBMUJFWSA-N 0 3 318.396 2.228 20 30 DEEDHN C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)N(C)C ZINC000263968511 402825617 /nfs/dbraw/zinc/82/56/17/402825617.db2.gz LHXXACZLRBIVFV-VIFPVBQESA-N 0 3 312.320 2.231 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C1(CC)CC ZINC000429351382 286277886 /nfs/dbraw/zinc/27/78/86/286277886.db2.gz SNVYYUXMJYIJCI-HUUCEWRRSA-N 0 3 309.454 2.322 20 30 DEEDHN CCN(C[C@H](O)CO[C@@H](C)COC)[C@H](C)c1ccc(C#N)cc1 ZINC000278127533 402857960 /nfs/dbraw/zinc/85/79/60/402857960.db2.gz VSKVFLCXXMZOHZ-DAYGRLMNSA-N 0 3 320.433 2.354 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)C2Cc3ccccc3C2)CC1 ZINC000264332403 402868393 /nfs/dbraw/zinc/86/83/93/402868393.db2.gz FQNFISMVIOHPPL-UHFFFAOYSA-N 0 3 313.445 2.446 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000278827850 402875686 /nfs/dbraw/zinc/87/56/86/402875686.db2.gz JKFPCSBVQCADIJ-WDYCEAGBSA-N 0 3 316.445 2.483 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000278854179 402878270 /nfs/dbraw/zinc/87/82/70/402878270.db2.gz LQQGGJUMSHEHDI-WMLDXEAASA-N 0 3 322.474 2.403 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000264442210 402878716 /nfs/dbraw/zinc/87/87/16/402878716.db2.gz ZOFQXXLBMRUMAN-UHFFFAOYSA-N 0 3 305.426 2.199 20 30 DEEDHN CC[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000278882079 402881676 /nfs/dbraw/zinc/88/16/76/402881676.db2.gz YASWBVXRGUMNOW-HZPDHXFCSA-N 0 3 321.446 2.023 20 30 DEEDHN CC(C)N1C[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)CC1=O ZINC000271901728 402885476 /nfs/dbraw/zinc/88/54/76/402885476.db2.gz VSTIPURCXTUHHO-DZGCQCFKSA-N 0 3 301.390 2.249 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc(C#N)cc1 ZINC000272136665 402901984 /nfs/dbraw/zinc/90/19/84/402901984.db2.gz CRRKJCNFDRATLQ-AWEZNQCLSA-N 0 3 315.417 2.126 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272446124 402937945 /nfs/dbraw/zinc/93/79/45/402937945.db2.gz PAAXSXZVBNBQQN-YOEHRIQHSA-N 0 3 313.401 2.257 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000279493370 402948729 /nfs/dbraw/zinc/94/87/29/402948729.db2.gz PMNRKPKERLIAQD-SFHVURJKSA-N 0 3 304.434 2.340 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CCCC[C@H]1O ZINC000272557736 402953044 /nfs/dbraw/zinc/95/30/44/402953044.db2.gz PKQBPQZWMRMDGZ-JKSUJKDBSA-N 0 3 318.417 2.429 20 30 DEEDHN Cc1cnccc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280037245 402966471 /nfs/dbraw/zinc/96/64/71/402966471.db2.gz LICITDREXWPMPT-GOSISDBHSA-N 0 3 318.380 2.303 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000280113965 402967447 /nfs/dbraw/zinc/96/74/47/402967447.db2.gz UCGJWPRSACUCRX-SJORKVTESA-N 0 3 311.385 2.316 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279221652 402918326 /nfs/dbraw/zinc/91/83/26/402918326.db2.gz NQJICMZUDMPNIJ-GOSISDBHSA-N 0 3 302.418 2.094 20 30 DEEDHN CO[C@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279346911 402933084 /nfs/dbraw/zinc/93/30/84/402933084.db2.gz FYCZYJFEJKFQAD-FUHWJXTLSA-N 0 3 311.385 2.268 20 30 DEEDHN C=C(C)CS(=O)(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000280511273 403007892 /nfs/dbraw/zinc/00/78/92/403007892.db2.gz DTUSAFQEJBFBKR-UHFFFAOYSA-N 0 3 322.474 2.189 20 30 DEEDHN N#CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000273212801 402983145 /nfs/dbraw/zinc/98/31/45/402983145.db2.gz SDOGYWQSHOYXED-ZDUSSCGKSA-N 0 3 306.435 2.488 20 30 DEEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000274176132 403032484 /nfs/dbraw/zinc/03/24/84/403032484.db2.gz DARNSQDVCRMVBO-SIIHOXLZSA-N 0 3 324.428 2.497 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000280945024 403052698 /nfs/dbraw/zinc/05/26/98/403052698.db2.gz WUICQXYTTPBKEC-INMHGKMJSA-N 0 3 323.458 2.420 20 30 DEEDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(Cl)c(C#N)n1 ZINC000274416274 403053207 /nfs/dbraw/zinc/05/32/07/403053207.db2.gz BAONZTOKSDVKRR-LBPRGKRZSA-N 0 3 307.829 2.045 20 30 DEEDHN CC(C)CN1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280967704 403054870 /nfs/dbraw/zinc/05/48/70/403054870.db2.gz YWJBYLCBOMBDBE-SFHVURJKSA-N 0 3 324.428 2.041 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCc2nccs2)cc1 ZINC000280983237 403056202 /nfs/dbraw/zinc/05/62/02/403056202.db2.gz SLQUWRLBCHJGCG-OAHLLOKOSA-N 0 3 324.409 2.446 20 30 DEEDHN C=CCCCCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000274469364 403058726 /nfs/dbraw/zinc/05/87/26/403058726.db2.gz CBUPWAPRIHGURR-UHFFFAOYSA-N 0 3 317.433 2.468 20 30 DEEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CSCC#N ZINC000281179249 403060163 /nfs/dbraw/zinc/06/01/63/403060163.db2.gz ZJYNPROXKPJPFD-GDBMZVCRSA-N 0 3 315.442 2.386 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000268194044 403060271 /nfs/dbraw/zinc/06/02/71/403060271.db2.gz WCHYTHQGQBSOBH-DYVFJYSZSA-N 0 3 312.417 2.182 20 30 DEEDHN COc1cc(CNCCCN2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281634003 403077159 /nfs/dbraw/zinc/07/71/59/403077159.db2.gz IMVGZNAWQUMVQG-GJZGRUSLSA-N 0 3 317.433 2.156 20 30 DEEDHN CNC(=O)c1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000268639001 403101800 /nfs/dbraw/zinc/10/18/00/403101800.db2.gz RWFKIBIKKLKXLK-GOSISDBHSA-N 0 3 323.396 2.083 20 30 DEEDHN C[C@@H](COCC1CCCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC001354866664 1151949785 /nfs/dbraw/zinc/94/97/85/1151949785.db2.gz ZPKHAFAAOOXGFD-HOCLYGCPSA-N 0 3 309.454 2.499 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000269733149 403161663 /nfs/dbraw/zinc/16/16/63/403161663.db2.gz VFBHUUCVNULJSJ-CZUORRHYSA-N 0 3 324.428 2.472 20 30 DEEDHN C=CCCN(C)CC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000276362645 403167768 /nfs/dbraw/zinc/16/77/68/403167768.db2.gz FZFBBYAMLWUCNU-UHFFFAOYSA-N 0 3 301.434 2.152 20 30 DEEDHN C=C(C)COc1cc(CN[C@@H](CO)CCOC)ccc1OC ZINC000282236565 403135150 /nfs/dbraw/zinc/13/51/50/403135150.db2.gz NTRYBBDCMYEHSF-OAHLLOKOSA-N 0 3 309.406 2.137 20 30 DEEDHN COCCOCCOCCN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000276121031 403147052 /nfs/dbraw/zinc/14/70/52/403147052.db2.gz BJHFGJHZRXDVTG-OAHLLOKOSA-N 0 3 306.406 2.231 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1C#N ZINC000276800660 403194969 /nfs/dbraw/zinc/19/49/69/403194969.db2.gz VSRMSRUFSREDGQ-CQSZACIVSA-N 0 3 310.405 2.272 20 30 DEEDHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc(C#N)c(C)n1 ZINC000566804145 292269221 /nfs/dbraw/zinc/26/92/21/292269221.db2.gz NWHQYDPYAVSPTH-INIZCTEOSA-N 0 3 308.385 2.254 20 30 DEEDHN C#CCCCN1CCN(CCOc2cccc(OC)c2)CC1 ZINC000271002290 403252374 /nfs/dbraw/zinc/25/23/74/403252374.db2.gz GKTZNTJGOAQQSB-UHFFFAOYSA-N 0 3 302.418 2.105 20 30 DEEDHN C=CCN(CCc1ccccc1)C[C@H](O)CO[C@@H](C)COC ZINC000277999932 403278475 /nfs/dbraw/zinc/27/84/75/403278475.db2.gz AAZDONAPDBLPSM-WMZOPIPTSA-N 0 3 307.434 2.130 20 30 DEEDHN C[C@H](c1ccncc1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000271217742 403280454 /nfs/dbraw/zinc/28/04/54/403280454.db2.gz BSPIXNTUMHLTFC-PBHICJAKSA-N 0 3 311.385 2.386 20 30 DEEDHN Cc1nccn1CCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292071807 403283958 /nfs/dbraw/zinc/28/39/58/403283958.db2.gz CVHIODUXUIEAIR-MRXNPFEDSA-N 0 3 311.389 2.002 20 30 DEEDHN C[C@H]1CC[C@H](N(CCO)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000331206477 403351907 /nfs/dbraw/zinc/35/19/07/403351907.db2.gz YGKXKYPSLLGZDJ-HOTGVXAUSA-N 0 3 321.465 2.154 20 30 DEEDHN Cc1nc(C(=O)NCc2ccccc2CN(C)C)ccc1C#N ZINC000298300544 403353003 /nfs/dbraw/zinc/35/30/03/403353003.db2.gz GNUAGTUMVLKSHI-UHFFFAOYSA-N 0 3 308.385 2.253 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292143092 403304600 /nfs/dbraw/zinc/30/46/00/403304600.db2.gz MSSGCUVKLTXQLJ-ROUUACIJSA-N 0 3 300.402 2.340 20 30 DEEDHN CC(C)CC[C@@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292233628 403328539 /nfs/dbraw/zinc/32/85/39/403328539.db2.gz PRLBLCGISKCSQW-CVEARBPZSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CC(OCC)C2)C1 ZINC000285569754 403330248 /nfs/dbraw/zinc/33/02/48/403330248.db2.gz UBHLEABOBJQGTK-KLHKWILBSA-N 0 3 306.450 2.467 20 30 DEEDHN CC1(C)CC[C@@H](CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)O1 ZINC000292254471 403335016 /nfs/dbraw/zinc/33/50/16/403335016.db2.gz RBCOBTFAHLDTGI-CABCVRRESA-N 0 3 301.390 2.364 20 30 DEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000285611921 403339258 /nfs/dbraw/zinc/33/92/58/403339258.db2.gz CLLDPZSECRCUET-HZPDHXFCSA-N 0 3 317.458 2.438 20 30 DEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1 ZINC000293245825 403424917 /nfs/dbraw/zinc/42/49/17/403424917.db2.gz HWVZFZPIQCPHPN-OALUTQOASA-N 0 3 310.397 2.127 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293260701 403427966 /nfs/dbraw/zinc/42/79/66/403427966.db2.gz BYKNSEKAUXAWHI-MRXNPFEDSA-N 0 3 314.433 2.228 20 30 DEEDHN N#CCc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000339770833 403444177 /nfs/dbraw/zinc/44/41/77/403444177.db2.gz AEIQGYWRLAAFIE-QZTJIDSGSA-N 0 3 300.402 2.162 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)c2ccc(C#N)cc2)ccn1 ZINC000343051871 403445288 /nfs/dbraw/zinc/44/52/88/403445288.db2.gz HURIGQTXRKYHRP-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN CN(C)CCOc1cc(NC(=O)c2cccc(C#N)c2)ccn1 ZINC000343063241 403449370 /nfs/dbraw/zinc/44/93/70/403449370.db2.gz WHTUJFGMTNBFJE-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN COc1cccc(OC(F)(F)F)c1CNC(=O)C(C)C#N ZINC000343146389 403476953 /nfs/dbraw/zinc/47/69/53/403476953.db2.gz ZRSBWIVBOYQBNJ-QMMMGPOBSA-N 0 3 302.252 2.370 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000345770762 403477396 /nfs/dbraw/zinc/47/73/96/403477396.db2.gz VLECLXWQKKMMJR-VIFPVBQESA-N 0 3 313.188 2.197 20 30 DEEDHN CC(C#N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000345770761 403477514 /nfs/dbraw/zinc/47/75/14/403477514.db2.gz VLECLXWQKKMMJR-SECBINFHSA-N 0 3 313.188 2.197 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000345797009 403488583 /nfs/dbraw/zinc/48/85/83/403488583.db2.gz WWPCDCBXHKHJKX-IUCAKERBSA-N 0 3 317.172 2.009 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)COc1ccc(C#N)cc1 ZINC000299108939 403523637 /nfs/dbraw/zinc/52/36/37/403523637.db2.gz XGCXQXQGRHYEGF-GJZGRUSLSA-N 0 3 315.417 2.174 20 30 DEEDHN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C#N)c(C)c1 ZINC000345899998 403525953 /nfs/dbraw/zinc/52/59/53/403525953.db2.gz NFOGKQREAVMMKR-OCCSQVGLSA-N 0 3 317.414 2.303 20 30 DEEDHN C=CCOCCN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000293752699 403555143 /nfs/dbraw/zinc/55/51/43/403555143.db2.gz JACLPUJNIUJSLB-CQSZACIVSA-N 0 3 318.417 2.197 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2ccc3[nH]c(C)cc3c2)CC1 ZINC000286756628 403545442 /nfs/dbraw/zinc/54/54/42/403545442.db2.gz TTYKRBLXENCZGP-UHFFFAOYSA-N 0 3 309.413 2.438 20 30 DEEDHN CC(C)N1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000332333644 403552419 /nfs/dbraw/zinc/55/24/19/403552419.db2.gz MKNXUWYZXLNCDV-INIZCTEOSA-N 0 3 320.481 2.134 20 30 DEEDHN C=CCOCC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000346514628 403592122 /nfs/dbraw/zinc/59/21/22/403592122.db2.gz BUUONFDLMIHYCR-QGZVFWFLSA-N 0 3 304.434 2.462 20 30 DEEDHN C=C(C)CN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 ZINC000346724061 403599653 /nfs/dbraw/zinc/59/96/53/403599653.db2.gz OQPNGWMMRLBWLY-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000332421283 403577299 /nfs/dbraw/zinc/57/72/99/403577299.db2.gz QVDGFGPCHLSROI-UHFFFAOYSA-N 0 3 300.406 2.285 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccco2)nc1C ZINC000293951408 403606802 /nfs/dbraw/zinc/60/68/02/403606802.db2.gz KDOKVCWNXFLHAN-UHFFFAOYSA-N 0 3 311.385 2.335 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccc(NC(=O)[C@H](C)C#N)cc1)C1CC1 ZINC000346972757 403609802 /nfs/dbraw/zinc/60/98/02/403609802.db2.gz HYIHOMGTIYPXEC-OLZOCXBDSA-N 0 3 324.384 2.435 20 30 DEEDHN CN1CCC[C@H](N2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301291659 403611709 /nfs/dbraw/zinc/61/17/09/403611709.db2.gz NWOPJKLTCGWUDX-INIZCTEOSA-N 0 3 318.852 2.428 20 30 DEEDHN CC(C#N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000347107160 403616545 /nfs/dbraw/zinc/61/65/45/403616545.db2.gz MMJQQBYTJUKSAF-VIFPVBQESA-N 0 3 304.737 2.208 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ncc(COC)s2)CC1 ZINC000287564539 403624429 /nfs/dbraw/zinc/62/44/29/403624429.db2.gz PEQGZEFRAOWBNT-UHFFFAOYSA-N 0 3 310.423 2.061 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287631951 403639226 /nfs/dbraw/zinc/63/92/26/403639226.db2.gz FTQLIXSPWDETJY-MOPGFXCFSA-N 0 3 323.396 2.278 20 30 DEEDHN CN(C)CCn1nccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000294077972 403642197 /nfs/dbraw/zinc/64/21/97/403642197.db2.gz NCQTWXVFTOEPLC-UHFFFAOYSA-N 0 3 317.780 2.222 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000294187966 403668653 /nfs/dbraw/zinc/66/86/53/403668653.db2.gz QVCQYYGKJJOJFB-MKXGPGLRSA-N 0 3 311.429 2.264 20 30 DEEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c2cnn(C)c2n1 ZINC000347354309 403676778 /nfs/dbraw/zinc/67/67/78/403676778.db2.gz ZLHBLVTWTPOFGP-CYBMUJFWSA-N 0 3 320.356 2.174 20 30 DEEDHN C=CCN1CC[C@H](N(C[C@@H](C)c2ccccc2)[C@H](C)CO)C1=O ZINC000347376250 403684928 /nfs/dbraw/zinc/68/49/28/403684928.db2.gz SBIYDHUMFDRRMD-NUJGCVRESA-N 0 3 316.445 2.260 20 30 DEEDHN C#CCNC(=O)CCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000294263470 403687044 /nfs/dbraw/zinc/68/70/44/403687044.db2.gz VEMCFCXRYGEUCE-OAHLLOKOSA-N 0 3 308.809 2.099 20 30 DEEDHN Cc1ccc(CNC(=O)C(C)C#N)c(-n2cc(Cl)cn2)n1 ZINC000347496939 403730631 /nfs/dbraw/zinc/73/06/31/403730631.db2.gz PZEYBGMOFODTKL-VIFPVBQESA-N 0 3 303.753 2.005 20 30 DEEDHN C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294992162 403739487 /nfs/dbraw/zinc/73/94/87/403739487.db2.gz QTOGIYOWLYWRGN-LBPRGKRZSA-N 0 3 300.362 2.387 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC1 ZINC000288191492 403741020 /nfs/dbraw/zinc/74/10/20/403741020.db2.gz QTTRTMJXMNEWTO-MAUKXSAKSA-N 0 3 311.429 2.457 20 30 DEEDHN C=CCOc1ccc(CNCC(C)(C)OCCO)cc1OC ZINC000288454998 403754498 /nfs/dbraw/zinc/75/44/98/403754498.db2.gz NJOAFDNSRGXIMD-UHFFFAOYSA-N 0 3 309.406 2.137 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@@H](CO)CN1CCCCC1)c1ccccc1 ZINC000288614510 403759489 /nfs/dbraw/zinc/75/94/89/403759489.db2.gz VDIZIPNHSCLJHB-FUHWJXTLSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCOc1cccc(CN[C@]2(CC(=O)OC)CCOC2)c1 ZINC000361740162 403835593 /nfs/dbraw/zinc/83/55/93/403835593.db2.gz FSXISPMBPBJHGY-KRWDZBQOSA-N 0 3 305.374 2.063 20 30 DEEDHN COC[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000288883006 403787340 /nfs/dbraw/zinc/78/73/40/403787340.db2.gz RHOAJYSZUWHVQJ-OAHLLOKOSA-N 0 3 323.824 2.379 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000295196347 403792768 /nfs/dbraw/zinc/79/27/68/403792768.db2.gz VMSGXQCSXSINDB-KSSFIOAISA-N 0 3 314.429 2.393 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3O[C@@H]2C)CC1 ZINC000288932814 403795751 /nfs/dbraw/zinc/79/57/51/403795751.db2.gz UDNHHHXVHZTNIM-CXAGYDPISA-N 0 3 315.417 2.458 20 30 DEEDHN C=CCN(CC1CCCCC1)C(=O)NCCN(C)CCOC ZINC000351706372 403865954 /nfs/dbraw/zinc/86/59/54/403865954.db2.gz IJDUTVQHXZUOKH-UHFFFAOYSA-N 0 3 311.470 2.343 20 30 DEEDHN COc1ccc(CN[C@@H]2C=C[C@@H](CO)C2)cc1OCCCC#N ZINC000347782074 403866771 /nfs/dbraw/zinc/86/67/71/403866771.db2.gz WLTOSOOFGOLSJK-HZPDHXFCSA-N 0 3 316.401 2.404 20 30 DEEDHN N#Cc1cccc(CNC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000305674071 403909227 /nfs/dbraw/zinc/90/92/27/403909227.db2.gz YPAOOUJEILCLAN-PMACEKPBSA-N 0 3 321.424 2.283 20 30 DEEDHN C#CCCOc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000368966273 403919020 /nfs/dbraw/zinc/91/90/20/403919020.db2.gz YALJKJBSFXPQFA-SZMVWBNQSA-N 0 3 312.413 2.175 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000411639796 403921178 /nfs/dbraw/zinc/92/11/78/403921178.db2.gz JGPLZZBPZHSSPC-YESZJQIVSA-N 0 3 309.498 2.319 20 30 DEEDHN CCN(CC(C)(C)O)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000305743056 403925991 /nfs/dbraw/zinc/92/59/91/403925991.db2.gz OESBQLNUGIQYCN-SWKXRBFHSA-N 0 3 323.481 2.399 20 30 DEEDHN C=CCOc1ccc(CN(CCOC)CCN(C)C)cc1OC ZINC000289380351 403935242 /nfs/dbraw/zinc/93/52/42/403935242.db2.gz CHQDOEVYAWSGND-UHFFFAOYSA-N 0 3 322.449 2.270 20 30 DEEDHN CN(C)c1ncccc1O[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000295690852 404006052 /nfs/dbraw/zinc/00/60/52/404006052.db2.gz DJTDJHLMKMKRHT-RRFJBIMHSA-N 0 3 300.406 2.293 20 30 DEEDHN C=C[C@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000362611285 403972660 /nfs/dbraw/zinc/97/26/60/403972660.db2.gz BPSNFOAXNGSQPI-INIZCTEOSA-N 0 3 301.434 2.198 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000348522802 404076451 /nfs/dbraw/zinc/07/64/51/404076451.db2.gz ZTXJVUCYCDBRLF-USXIJHARSA-N 0 3 302.418 2.405 20 30 DEEDHN C#CCN(CC#C)CCCCOc1c(OC)cccc1OC ZINC000290228073 404090178 /nfs/dbraw/zinc/09/01/78/404090178.db2.gz ILGQPUNNLKMOQZ-UHFFFAOYSA-N 0 3 301.386 2.431 20 30 DEEDHN C[C@@H](O)C[C@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000323664415 404094713 /nfs/dbraw/zinc/09/47/13/404094713.db2.gz VIRVICRHNFONGC-HZPDHXFCSA-N 0 3 321.465 2.345 20 30 DEEDHN CC(C#N)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000348795865 404099814 /nfs/dbraw/zinc/09/98/14/404099814.db2.gz FKGWWTOQRJFSCG-VIFPVBQESA-N 0 3 301.173 2.474 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCC[C@@H]1OC(F)F ZINC000348459788 404069500 /nfs/dbraw/zinc/06/95/00/404069500.db2.gz SNYDSESQLWSURO-AVGNSLFASA-N 0 3 302.365 2.325 20 30 DEEDHN C#CCn1ccc(CN(CC)CCN(C)Cc2ccccc2)n1 ZINC000296059655 404073581 /nfs/dbraw/zinc/07/35/81/404073581.db2.gz RCMKJFRXGJPNPF-UHFFFAOYSA-N 0 3 310.445 2.470 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(C#N)c1C ZINC000296137474 404109985 /nfs/dbraw/zinc/10/99/85/404109985.db2.gz JJOHOZZLJSXJQH-DFBGVHRSSA-N 0 3 317.389 2.110 20 30 DEEDHN CC(C(=O)NCC1(C2CC2)CC1)S(=O)(=O)C1CCOCC1 ZINC000328657608 404124768 /nfs/dbraw/zinc/12/47/68/404124768.db2.gz PJNVPSLMHVNSCC-NSHDSACASA-N 0 3 315.435 2.115 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](C)(C(=O)OC)C1 ZINC000412104832 404137402 /nfs/dbraw/zinc/13/74/02/404137402.db2.gz OFKUKZDCZSNFMU-RHSMWYFYSA-N 0 3 310.438 2.075 20 30 DEEDHN CN(C)C(=O)CCN1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000344441300 404139983 /nfs/dbraw/zinc/13/99/83/404139983.db2.gz LIMOHTBLASFGHW-UHFFFAOYSA-N 0 3 318.396 2.052 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)CN1C1CC1 ZINC000328760788 404145247 /nfs/dbraw/zinc/14/52/47/404145247.db2.gz XTGMFULUFCETCV-DYEKYZERSA-N 0 3 320.437 2.157 20 30 DEEDHN CC(C)n1cc([C@@H]2CN([C@H]3CC[C@@H](C#N)C3)C[C@H]2CO)cn1 ZINC000328828140 404157741 /nfs/dbraw/zinc/15/77/41/404157741.db2.gz JUQMAJNQTBWXIE-IWCQGFGOSA-N 0 3 302.422 2.164 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363557988 404184500 /nfs/dbraw/zinc/18/45/00/404184500.db2.gz NVGVODUNAXYVAM-HOTGVXAUSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363557990 404184789 /nfs/dbraw/zinc/18/47/89/404184789.db2.gz NVGVODUNAXYVAM-JKSUJKDBSA-N 0 3 309.454 2.237 20 30 DEEDHN CN(C)C[C@H](NC(=O)NCC(C)(C)C#N)c1ccc(F)cc1 ZINC000355076248 404201677 /nfs/dbraw/zinc/20/16/77/404201677.db2.gz FPQJHFQQTCYWAA-AWEZNQCLSA-N 0 3 306.385 2.277 20 30 DEEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@@]2(CCCOC2)O1 ZINC000369721108 404205612 /nfs/dbraw/zinc/20/56/12/404205612.db2.gz LSDACTAKVDQWJS-FUHWJXTLSA-N 0 3 322.449 2.357 20 30 DEEDHN CC#CCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000355153246 404248019 /nfs/dbraw/zinc/24/80/19/404248019.db2.gz CVEAUZTUXROZFI-MRXNPFEDSA-N 0 3 303.406 2.011 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)N1CCCC12CCN(C)CC2 ZINC000329158677 404248811 /nfs/dbraw/zinc/24/88/11/404248811.db2.gz XBGFABOKNQFTHV-UHFFFAOYSA-N 0 3 305.426 2.143 20 30 DEEDHN O=C(CN[C@@H]1CCC[C@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329170746 404253343 /nfs/dbraw/zinc/25/33/43/404253343.db2.gz JTGDJUZSWCLLGP-WDEREUQCSA-N 0 3 309.435 2.361 20 30 DEEDHN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C12CCCN1CCC2 ZINC000329198116 404262213 /nfs/dbraw/zinc/26/22/13/404262213.db2.gz ULUOUCPSFQZTTP-DZGCQCFKSA-N 0 3 318.421 2.083 20 30 DEEDHN C[C@H](NC(=O)N[C@H](CCO)C1CCCCC1)C1=CCN(C)CC1 ZINC000329277072 404287657 /nfs/dbraw/zinc/28/76/57/404287657.db2.gz CHCGASMMFBSFIT-WMLDXEAASA-N 0 3 323.481 2.472 20 30 DEEDHN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329484728 404352447 /nfs/dbraw/zinc/35/24/47/404352447.db2.gz FRQKINJEIVYGQV-DZGCQCFKSA-N 0 3 307.438 2.384 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329510120 404362129 /nfs/dbraw/zinc/36/21/29/404362129.db2.gz XJOCTBWFXPXXTQ-LXTVHRRPSA-N 0 3 322.453 2.072 20 30 DEEDHN Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(C3CC3)C[C@H]1C)C2 ZINC000329495347 404356428 /nfs/dbraw/zinc/35/64/28/404356428.db2.gz FQGOLVKWULQUHU-PVXIVEMSSA-N 0 3 302.422 2.193 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc3c2OCCC3=O)CCN1C ZINC000329333138 404305147 /nfs/dbraw/zinc/30/51/47/404305147.db2.gz JZWMUHRBSCYYLK-VXGBXAGGSA-N 0 3 317.389 2.460 20 30 DEEDHN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000337930046 404318960 /nfs/dbraw/zinc/31/89/60/404318960.db2.gz UUIJEKWVLCYPEO-UHFFFAOYSA-N 0 3 324.432 2.132 20 30 DEEDHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000329529796 404366817 /nfs/dbraw/zinc/36/68/17/404366817.db2.gz VJABPDSNYXVGJH-CJNGLKHVSA-N 0 3 319.449 2.361 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000329537145 404368353 /nfs/dbraw/zinc/36/83/53/404368353.db2.gz MDIKCILMDKCVBA-KBXIAJHMSA-N 0 3 322.453 2.072 20 30 DEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CCCCC[C@H]1O ZINC000329547337 404372214 /nfs/dbraw/zinc/37/22/14/404372214.db2.gz OPZUWAPXCJXZNJ-ARFHVFGLSA-N 0 3 309.454 2.201 20 30 DEEDHN CCC[C@]1(CO)CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000329556066 404374654 /nfs/dbraw/zinc/37/46/54/404374654.db2.gz BPNATPHFAYIIFY-CPUCHLNUSA-N 0 3 309.454 2.010 20 30 DEEDHN CC(=O)NC1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000329575959 404381135 /nfs/dbraw/zinc/38/11/35/404381135.db2.gz VROOCTZBIXNIAY-LBDPXKHJSA-N 0 3 322.453 2.214 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000297055799 404430870 /nfs/dbraw/zinc/43/08/70/404430870.db2.gz XRYPLBVWUIKECC-INIZCTEOSA-N 0 3 301.434 2.387 20 30 DEEDHN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329662269 404412844 /nfs/dbraw/zinc/41/28/44/404412844.db2.gz PGYOPTLMWBZFCH-PAPYEOQZSA-N 0 3 317.389 2.280 20 30 DEEDHN CC(=O)NCCN(Cc1cccc(C#N)c1)C1CCSCC1 ZINC000338586195 404418873 /nfs/dbraw/zinc/41/88/73/404418873.db2.gz ACUPXRBZGCIFEI-UHFFFAOYSA-N 0 3 317.458 2.392 20 30 DEEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C)C[C@H]1C ZINC000351071267 404510162 /nfs/dbraw/zinc/51/01/62/404510162.db2.gz CCYRPARGOWBKBL-ZIAGYGMSSA-N 0 3 324.432 2.273 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345035221 404510283 /nfs/dbraw/zinc/51/02/83/404510283.db2.gz TUMMSEMDBYQEQG-AAEUAGOBSA-N 0 3 302.378 2.171 20 30 DEEDHN N#CC1(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CCCC1 ZINC000329970070 404511588 /nfs/dbraw/zinc/51/15/88/404511588.db2.gz WXMAIKSDMSETOA-INIZCTEOSA-N 0 3 319.449 2.174 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000329983285 404514314 /nfs/dbraw/zinc/51/43/14/404514314.db2.gz AZOMBQVHPACXHY-BMIGLBTASA-N 0 3 301.390 2.452 20 30 DEEDHN CCN1CCN([C@H](C)CNC(=O)c2oc(C3CC3)nc2C)CC1 ZINC000329726462 404434330 /nfs/dbraw/zinc/43/43/30/404434330.db2.gz CESPZJBYTPQTLC-GFCCVEGCSA-N 0 3 320.437 2.191 20 30 DEEDHN C[C@@H]1CCN(C(=O)NCC2(C)CCCCC2)CCS1(=O)=O ZINC000329746867 404439319 /nfs/dbraw/zinc/43/93/19/404439319.db2.gz SARGZRPIUNDJLW-CYBMUJFWSA-N 0 3 316.467 2.380 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329751148 404440854 /nfs/dbraw/zinc/44/08/54/404440854.db2.gz VKQMQERSHHKFIF-DYVFJYSZSA-N 0 3 320.437 2.054 20 30 DEEDHN CC(C)C[C@]1(CO)CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329751148 404440856 /nfs/dbraw/zinc/44/08/56/404440856.db2.gz VKQMQERSHHKFIF-DYVFJYSZSA-N 0 3 320.437 2.054 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000329814398 404460920 /nfs/dbraw/zinc/46/09/20/404460920.db2.gz ULLNEHRTGKDMCT-BETUJISGSA-N 0 3 307.438 2.217 20 30 DEEDHN COC1CCC(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000329821955 404461649 /nfs/dbraw/zinc/46/16/49/404461649.db2.gz YXKREVJYIXGKRW-FKFRUQKQSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOC3(CCC3)C2)CN1C1CC1 ZINC000330208458 404586308 /nfs/dbraw/zinc/58/63/08/404586308.db2.gz GTWPKMOYHFIXAN-MCIONIFRSA-N 0 3 307.438 2.217 20 30 DEEDHN C[C@H]1C(=O)CC[C@H]1CC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000330020992 404529469 /nfs/dbraw/zinc/52/94/69/404529469.db2.gz XBYAWIMAGGYRPL-QLFBSQMISA-N 0 3 310.438 2.041 20 30 DEEDHN CN(C)[C@H]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330027660 404531585 /nfs/dbraw/zinc/53/15/85/404531585.db2.gz NILHBEVHRQDFRB-NRXISQOPSA-N 0 3 307.438 2.074 20 30 DEEDHN Cc1nccc(NC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000330101396 404551173 /nfs/dbraw/zinc/55/11/73/404551173.db2.gz FEDVNFDPYQFXLL-UHFFFAOYSA-N 0 3 303.410 2.281 20 30 DEEDHN Cc1nccn1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000330155727 404569401 /nfs/dbraw/zinc/56/94/01/404569401.db2.gz YLQBIXHSSZJJHB-UHFFFAOYSA-N 0 3 319.453 2.056 20 30 DEEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H](C)C#N)cc2)CC1 ZINC000297639893 404574849 /nfs/dbraw/zinc/57/48/49/404574849.db2.gz DFWMUOQCUNGALR-HNNXBMFYSA-N 0 3 314.433 2.201 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[C@H]1CCCO1 ZINC000342565676 404653223 /nfs/dbraw/zinc/65/32/23/404653223.db2.gz HNHVGXDGTBHPBE-HUUCEWRRSA-N 0 3 307.438 2.218 20 30 DEEDHN CN(C)C(=O)[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000414495753 404656597 /nfs/dbraw/zinc/65/65/97/404656597.db2.gz HMVDUBRUTNVDOT-INIZCTEOSA-N 0 3 315.417 2.279 20 30 DEEDHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330256133 404602694 /nfs/dbraw/zinc/60/26/94/404602694.db2.gz KKBIZKXTIJRQLW-VZJVUDMVSA-N 0 3 306.410 2.171 20 30 DEEDHN CON(C)C(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000291969448 404605305 /nfs/dbraw/zinc/60/53/05/404605305.db2.gz VNHNWLAFZLEAOC-ZDUSSCGKSA-N 0 3 301.390 2.351 20 30 DEEDHN C[C@H]1CSC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000352800800 404632998 /nfs/dbraw/zinc/63/29/98/404632998.db2.gz PXOMVQKJEQMWHG-DZGCQCFKSA-N 0 3 303.431 2.274 20 30 DEEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000414556627 404679217 /nfs/dbraw/zinc/67/92/17/404679217.db2.gz KJPFRHRFYUCIOA-QGZVFWFLSA-N 0 3 302.374 2.342 20 30 DEEDHN C=CCN1CCC(NC(=O)COC/C=C/c2ccccc2)CC1 ZINC000357163316 404729522 /nfs/dbraw/zinc/72/95/22/404729522.db2.gz YPZBEMXWXLOPPV-RMKNXTFCSA-N 0 3 314.429 2.483 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000357267833 404730938 /nfs/dbraw/zinc/73/09/38/404730938.db2.gz WGVGDZBMJPYPND-GFCCVEGCSA-N 0 3 308.341 2.110 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000375733392 404736422 /nfs/dbraw/zinc/73/64/22/404736422.db2.gz BDFXRYVYCZWYIA-IAGOWNOFSA-N 0 3 306.450 2.445 20 30 DEEDHN CC(=O)NCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000375744182 404737869 /nfs/dbraw/zinc/73/78/69/404737869.db2.gz MOPPCGXBCAMFDP-UHFFFAOYSA-N 0 3 319.380 2.067 20 30 DEEDHN C=CCc1cc(CN[C@H]2CCOC[C@H]2OCC)cc(OC)c1O ZINC000353189285 404764497 /nfs/dbraw/zinc/76/44/97/404764497.db2.gz UUOONCUNWGBWEZ-DOTOQJQBSA-N 0 3 321.417 2.413 20 30 DEEDHN C=C(CC)CN1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000358503559 404764973 /nfs/dbraw/zinc/76/49/73/404764973.db2.gz YMIOJMXIUVZSKN-UHFFFAOYSA-N 0 3 307.482 2.219 20 30 DEEDHN COc1cc(CN2CCNC[C@@H]2c2cccnc2)ccc1C#N ZINC000414734774 404719908 /nfs/dbraw/zinc/71/99/08/404719908.db2.gz KWMMTXNIBYKXMO-QGZVFWFLSA-N 0 3 308.385 2.108 20 30 DEEDHN C=CCOc1cccc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000415021945 404789513 /nfs/dbraw/zinc/78/95/13/404789513.db2.gz YZZGXYWROSXRMO-IUODEOHRSA-N 0 3 319.405 2.486 20 30 DEEDHN CO[C@]1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000366449162 404793069 /nfs/dbraw/zinc/79/30/69/404793069.db2.gz FIOCYNSLIBCTOG-GOSISDBHSA-N 0 3 315.417 2.065 20 30 DEEDHN CN(C)C(=O)CCN1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000361033118 404887579 /nfs/dbraw/zinc/88/75/79/404887579.db2.gz RHIZUNWWDQMRQH-UHFFFAOYSA-N 0 3 318.396 2.052 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](CO)(C(C)C)C2)CC1 ZINC000378046980 404857927 /nfs/dbraw/zinc/85/79/27/404857927.db2.gz CAXZPMLWLPHPEV-SFHVURJKSA-N 0 3 323.481 2.077 20 30 DEEDHN C=CCC[C@H](NCC1CN(S(=O)(=O)CC)C1)c1ccco1 ZINC000353677698 404915103 /nfs/dbraw/zinc/91/51/03/404915103.db2.gz ZBYKONMGETZJIX-AWEZNQCLSA-N 0 3 312.435 2.158 20 30 DEEDHN C=CCOCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000353889475 404971371 /nfs/dbraw/zinc/97/13/71/404971371.db2.gz AMKMBQQKSNHCJD-MRXNPFEDSA-N 0 3 302.418 2.312 20 30 DEEDHN COc1cc(C)c([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424087608 405001487 /nfs/dbraw/zinc/00/14/87/405001487.db2.gz FRVPCUYDSDKJAV-TZMCWYRMSA-N 0 3 319.405 2.211 20 30 DEEDHN CCOc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424091405 405002545 /nfs/dbraw/zinc/00/25/45/405002545.db2.gz DNMWORFVDVWIDB-GXTWGEPZSA-N 0 3 319.405 2.292 20 30 DEEDHN COC(=O)c1cc2cc(NC(=O)[C@H](N)CCCC#N)ccc2o1 ZINC000424095640 405004329 /nfs/dbraw/zinc/00/43/29/405004329.db2.gz XUEDYYYHNPDLPN-GFCCVEGCSA-N 0 3 315.329 2.179 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCOc1cccc2ccccc21 ZINC000424095224 405004691 /nfs/dbraw/zinc/00/46/91/405004691.db2.gz WUMIDCWHJCTWDV-INIZCTEOSA-N 0 3 311.385 2.356 20 30 DEEDHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424103493 405007665 /nfs/dbraw/zinc/00/76/65/405007665.db2.gz QSYORFWYQPOGOG-CABCVRRESA-N 0 3 303.406 2.208 20 30 DEEDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C12CCC2 ZINC000451475600 405008806 /nfs/dbraw/zinc/00/88/06/405008806.db2.gz SWNPJQKWMNVTSD-JYYAWHABSA-N 0 3 321.465 2.367 20 30 DEEDHN COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424115009 405011193 /nfs/dbraw/zinc/01/11/93/405011193.db2.gz SWBIQSJHMJSYQO-LSDHHAIUSA-N 0 3 301.390 2.380 20 30 DEEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000424118756 405013161 /nfs/dbraw/zinc/01/31/61/405013161.db2.gz DUJUQLPMKYEUFS-KFWWJZLASA-N 0 3 309.454 2.450 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000424125317 405015181 /nfs/dbraw/zinc/01/51/81/405015181.db2.gz NSSZSVYQCNWVLM-CABCVRRESA-N 0 3 303.431 2.154 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700525 405017332 /nfs/dbraw/zinc/01/73/32/405017332.db2.gz GLJDRUSJJMYZPU-HZMVEIRTSA-N 0 3 306.450 2.058 20 30 DEEDHN CCN(CCCNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424145013 405021076 /nfs/dbraw/zinc/02/10/76/405021076.db2.gz YGAXUJKBEAPXRY-MRXNPFEDSA-N 0 3 302.422 2.040 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(NC2CCOCC2)cc1 ZINC000424152052 405023838 /nfs/dbraw/zinc/02/38/38/405023838.db2.gz HXOKLCSSASOOTL-MRXNPFEDSA-N 0 3 316.405 2.237 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(N2CCCC2)c1 ZINC000424153995 405024220 /nfs/dbraw/zinc/02/42/20/405024220.db2.gz LYVGFGYORVPHIX-PBHICJAKSA-N 0 3 314.433 2.485 20 30 DEEDHN CN(c1ccccc1)C1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424155748 405025261 /nfs/dbraw/zinc/02/52/61/405025261.db2.gz OFAGOKQXROHZON-KRWDZBQOSA-N 0 3 314.433 2.135 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000424166671 405027964 /nfs/dbraw/zinc/02/79/64/405027964.db2.gz BAFMXZYPAPCSEO-UONOGXRCSA-N 0 3 305.353 2.177 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000424167820 405028839 /nfs/dbraw/zinc/02/88/39/405028839.db2.gz FHYKLBHNEMCEJG-ULQDDVLXSA-N 0 3 315.417 2.262 20 30 DEEDHN C=C(C)CS(=O)(=O)NCC(C)(C)N1CCC[C@H](CC)C1 ZINC000435445012 404981376 /nfs/dbraw/zinc/98/13/76/404981376.db2.gz CARVZCNKJCOMKE-AWEZNQCLSA-N 0 3 302.484 2.383 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451425009 404990835 /nfs/dbraw/zinc/99/08/35/404990835.db2.gz TVSAGXRXDPCHDH-MAPUTHEBSA-N 0 3 321.465 2.055 20 30 DEEDHN CN(CCOc1cccc(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000424067871 404993025 /nfs/dbraw/zinc/99/30/25/404993025.db2.gz XLDSGRVCMUFAGP-CQSZACIVSA-N 0 3 309.797 2.198 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000424071135 404993942 /nfs/dbraw/zinc/99/39/42/404993942.db2.gz UIMFFRVWCRPKCZ-MRXNPFEDSA-N 0 3 313.401 2.129 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Br)cc1 ZINC000424071587 404995711 /nfs/dbraw/zinc/99/57/11/404995711.db2.gz VAHIQDGQQAVTAA-GFCCVEGCSA-N 0 3 310.195 2.086 20 30 DEEDHN CCOC(=O)c1csc([C@H]2CCCN2C(=O)C(C)C#N)n1 ZINC000361386781 405050875 /nfs/dbraw/zinc/05/08/75/405050875.db2.gz OWYHWLFOYZXMNC-MWLCHTKSSA-N 0 3 307.375 2.143 20 30 DEEDHN C=CCOc1ccc(C(=O)NCC2(N(C)C)CC2)cc1OC ZINC000416287271 405086843 /nfs/dbraw/zinc/08/68/43/405086843.db2.gz DLSRQLVPANNJKB-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000416397185 405130003 /nfs/dbraw/zinc/13/00/03/405130003.db2.gz IATOKNHODWJYQI-MNOVXSKESA-N 0 3 313.279 2.003 20 30 DEEDHN CCN1CCN(CC(C)(C)NCc2ccc(F)cc2C#N)CC1 ZINC000451985855 405119187 /nfs/dbraw/zinc/11/91/87/405119187.db2.gz MUSNSMYMUHBEAV-UHFFFAOYSA-N 0 3 318.440 2.203 20 30 DEEDHN CN1CCC(N2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC1 ZINC000361681245 405196222 /nfs/dbraw/zinc/19/62/22/405196222.db2.gz ISPABPBIYBBACG-CYBMUJFWSA-N 0 3 319.840 2.187 20 30 DEEDHN C=CCCn1cc(C(=O)N(CC)CCN2CCCCCC2)nn1 ZINC000424856634 405197515 /nfs/dbraw/zinc/19/75/15/405197515.db2.gz VCNRHWNDQPIISX-UHFFFAOYSA-N 0 3 319.453 2.192 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)nn1 ZINC000424864673 405200263 /nfs/dbraw/zinc/20/02/63/405200263.db2.gz LQPIZWVMYPIEGY-HNNXBMFYSA-N 0 3 319.453 2.095 20 30 DEEDHN C[C@H](CN1CCOCC1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000361697482 405203689 /nfs/dbraw/zinc/20/36/89/405203689.db2.gz YDBPXPLILJIJGJ-MRXNPFEDSA-N 0 3 311.429 2.368 20 30 DEEDHN C=C(C)COCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000354349142 405168896 /nfs/dbraw/zinc/16/88/96/405168896.db2.gz SJBPPCNFOGKKNA-INIZCTEOSA-N 0 3 323.412 2.320 20 30 DEEDHN N#CCCn1cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c(-c2ccccc2)n1 ZINC000367840659 405170962 /nfs/dbraw/zinc/17/09/62/405170962.db2.gz RDAIAQGTKOOTPO-PIIMJCKOSA-N 0 3 322.412 2.134 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@H](c3nnc[nH]3)C2)cc1OC ZINC000425357035 405279599 /nfs/dbraw/zinc/27/95/99/405279599.db2.gz ONCXCRKRVXERLE-AWEZNQCLSA-N 0 3 314.389 2.368 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000438052563 405229318 /nfs/dbraw/zinc/22/93/18/405229318.db2.gz IZPZBJKYPBQVII-ULQDDVLXSA-N 0 3 321.465 2.237 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)[C@@H]2C1 ZINC000425066452 405242309 /nfs/dbraw/zinc/24/23/09/405242309.db2.gz ONZCCALQEAGRRY-WNRNVDISSA-N 0 3 309.413 2.214 20 30 DEEDHN COc1cc(CNCc2ccc(OCCO)cc2)ccc1C#N ZINC000440832334 405328696 /nfs/dbraw/zinc/32/86/96/405328696.db2.gz PCMIXWNWOYQFND-UHFFFAOYSA-N 0 3 312.369 2.228 20 30 DEEDHN Cc1ccc([C@H](CN[C@@H]2CC[C@@H](C#N)C2)N2CCOCC2)o1 ZINC000442638719 405335578 /nfs/dbraw/zinc/33/55/78/405335578.db2.gz UBKXMRFHAWCJKY-OAGGEKHMSA-N 0 3 303.406 2.243 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OCC)[C@@H](C)C2)CC1 ZINC000454454165 405347458 /nfs/dbraw/zinc/34/74/58/405347458.db2.gz AJNMTJPKWMQDNM-DOTOQJQBSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553721 405302463 /nfs/dbraw/zinc/30/24/63/405302463.db2.gz MXMLGPQWMUJPJM-SFHVURJKSA-N 0 3 318.461 2.468 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)s1 ZINC000420756105 405379508 /nfs/dbraw/zinc/37/95/08/405379508.db2.gz DOXZVSGYENIQAY-UHFFFAOYSA-N 0 3 304.419 2.046 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCCC2(O)CCC2)CC1 ZINC000420788054 405384392 /nfs/dbraw/zinc/38/43/92/405384392.db2.gz KNDJBNKWGLFSRV-UHFFFAOYSA-N 0 3 309.454 2.021 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000455438111 405409486 /nfs/dbraw/zinc/40/94/86/405409486.db2.gz XQTIMHPSLCVUOC-XIRDDKMYSA-N 0 3 314.433 2.418 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000429715366 405444740 /nfs/dbraw/zinc/44/47/40/405444740.db2.gz ZSZCXDKZQUAQPX-DJIMGWMZSA-N 0 3 306.450 2.348 20 30 DEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]2COC[C@@H]21 ZINC000577637206 405485190 /nfs/dbraw/zinc/48/51/90/405485190.db2.gz NAHVAMVVBGPJDV-YESZJQIVSA-N 0 3 323.396 2.124 20 30 DEEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000430743555 405501062 /nfs/dbraw/zinc/50/10/62/405501062.db2.gz LBSQOIJVTWSNRR-CYBMUJFWSA-N 0 3 321.446 2.281 20 30 DEEDHN C=C(C)CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000456121273 405505792 /nfs/dbraw/zinc/50/57/92/405505792.db2.gz MFZXTEXPLUCPEM-UHFFFAOYSA-N 0 3 301.434 2.281 20 30 DEEDHN Cc1nn(C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1C#N ZINC000577807537 405514646 /nfs/dbraw/zinc/51/46/46/405514646.db2.gz BEGLEYYZXATENB-SFHVURJKSA-N 0 3 310.401 2.354 20 30 DEEDHN CSC1(CNC(=O)N(C)CC(C)(C)C#N)CCN(C)CC1 ZINC000458787914 405592701 /nfs/dbraw/zinc/59/27/01/405592701.db2.gz LHWXMBMKVCFGOC-UHFFFAOYSA-N 0 3 312.483 2.005 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H]2CCC[C@H]2C1 ZINC000528404453 405592750 /nfs/dbraw/zinc/59/27/50/405592750.db2.gz OQJHBNQGRYHEIO-GJZGRUSLSA-N 0 3 308.381 2.018 20 30 DEEDHN CCOc1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CC1)C2 ZINC000528423047 405598674 /nfs/dbraw/zinc/59/86/74/405598674.db2.gz GNKDPQQQCOTPLR-INIZCTEOSA-N 0 3 300.402 2.498 20 30 DEEDHN COCc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1C#N ZINC000529209943 405752904 /nfs/dbraw/zinc/75/29/04/405752904.db2.gz BQSIRRYDTRTEPP-BLLLJJGKSA-N 0 3 316.405 2.309 20 30 DEEDHN C=CCC1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCC1 ZINC000459114662 405754313 /nfs/dbraw/zinc/75/43/13/405754313.db2.gz WHMBLLIOXPBLPA-MRXNPFEDSA-N 0 3 323.481 2.269 20 30 DEEDHN COC(=O)c1cccc(CN2CCN(C)[C@H](C(C)C)C2)c1C#N ZINC000584029210 405807949 /nfs/dbraw/zinc/80/79/49/405807949.db2.gz GFGBFDIVBUOATO-KRWDZBQOSA-N 0 3 315.417 2.117 20 30 DEEDHN CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NNC1=N[C@H](C)CN1 ZINC000495088504 405815024 /nfs/dbraw/zinc/81/50/24/405815024.db2.gz RDGRNUVZAFFAEY-OLZOCXBDSA-N 0 3 323.441 2.089 20 30 DEEDHN CN(C[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343900 405861844 /nfs/dbraw/zinc/86/18/44/405861844.db2.gz RNFCJUONJCKOOI-LJQANCHMSA-N 0 3 311.429 2.102 20 30 DEEDHN CC1(C#N)CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000584341156 405862724 /nfs/dbraw/zinc/86/27/24/405862724.db2.gz ZTALWGHPMJSDQL-MRXNPFEDSA-N 0 3 312.417 2.209 20 30 DEEDHN C[C@H]1CN(CCOCCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000495592739 405926014 /nfs/dbraw/zinc/92/60/14/405926014.db2.gz ITJNESOEWGLYBF-UONOGXRCSA-N 0 3 311.426 2.152 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCc2cccc(C#N)c2)C1 ZINC000457673957 405946663 /nfs/dbraw/zinc/94/66/63/405946663.db2.gz MDQQWZWLHGOTQH-INIZCTEOSA-N 0 3 300.406 2.182 20 30 DEEDHN CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564150153 406063197 /nfs/dbraw/zinc/06/31/97/406063197.db2.gz KCQUVXFWUITZGN-HOTGVXAUSA-N 0 3 314.433 2.348 20 30 DEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cccc(C2CC2)c1 ZINC000564860190 406067275 /nfs/dbraw/zinc/06/72/75/406067275.db2.gz PALVHZJXUGPVAF-RDTXWAMCSA-N 0 3 301.434 2.421 20 30 DEEDHN C[C@@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccncc2)CO1 ZINC000567898560 406156912 /nfs/dbraw/zinc/15/69/12/406156912.db2.gz VIWZYZLRBPBCLG-CZUORRHYSA-N 0 3 311.389 2.126 20 30 DEEDHN CN1CCC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000534313053 406181189 /nfs/dbraw/zinc/18/11/89/406181189.db2.gz XOHYHDSGJPFYSE-GOSISDBHSA-N 0 3 324.428 2.451 20 30 DEEDHN C=CCOc1ccccc1CNCCN1CCO[C@H](CC)C1 ZINC000487211162 406217115 /nfs/dbraw/zinc/21/71/15/406217115.db2.gz PERXMGZQECHFGG-QGZVFWFLSA-N 0 3 304.434 2.452 20 30 DEEDHN O[C@@]1(CNCC#Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000634698563 406230525 /nfs/dbraw/zinc/23/05/25/406230525.db2.gz PZLAPBBCXGPLAV-OAQYLSRUSA-N 0 3 320.436 2.265 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[C@H]1C ZINC000488041178 406288049 /nfs/dbraw/zinc/28/80/49/406288049.db2.gz LNIZLTJFZFQCGI-CVEARBPZSA-N 0 3 321.465 2.466 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000569902125 406317297 /nfs/dbraw/zinc/31/72/97/406317297.db2.gz PMSYEDQIBKZFPJ-DZGCQCFKSA-N 0 3 317.437 2.229 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000488517791 406326478 /nfs/dbraw/zinc/32/64/78/406326478.db2.gz PFGICRWGARYHGL-NVXWUHKLSA-N 0 3 302.418 2.216 20 30 DEEDHN Cc1csc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1C#N ZINC000570388159 406385709 /nfs/dbraw/zinc/38/57/09/406385709.db2.gz PVQRWDKURQTNMF-WCQYABFASA-N 0 3 304.419 2.486 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000490630108 406476619 /nfs/dbraw/zinc/47/66/19/406476619.db2.gz PGKJOGAJBBYCJJ-QGZVFWFLSA-N 0 3 300.377 2.274 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000490649191 406478629 /nfs/dbraw/zinc/47/86/29/406478629.db2.gz FZALWPGVOPGWBU-BBRMVZONSA-N 0 3 318.367 2.282 20 30 DEEDHN C=CCn1cccc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000490022773 406446913 /nfs/dbraw/zinc/44/69/13/406446913.db2.gz HDXTZNJODUJSPG-HOTGVXAUSA-N 0 3 319.449 2.293 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@@H]1N1CCCC1 ZINC000273532567 286704664 /nfs/dbraw/zinc/70/46/64/286704664.db2.gz RIWPMJBKYOOEHI-JKSUJKDBSA-N 0 3 315.442 2.210 20 30 DEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000491252414 406554298 /nfs/dbraw/zinc/55/42/98/406554298.db2.gz HXEHQFOHPUDYLD-NWDGAFQWSA-N 0 3 301.308 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000491253232 406554851 /nfs/dbraw/zinc/55/48/51/406554851.db2.gz MJIAGHTVZUTADX-CYBMUJFWSA-N 0 3 321.396 2.150 20 30 DEEDHN C=C(C)COc1cccc(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000635483514 406555969 /nfs/dbraw/zinc/55/59/69/406555969.db2.gz VPMJIBGQLUPDIF-NVXWUHKLSA-N 0 3 316.401 2.443 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C\c1cc(F)c(F)c(F)c1 ZINC000491264617 406557158 /nfs/dbraw/zinc/55/71/58/406557158.db2.gz HPULPHHTHNCMIN-WAYWQWQTSA-N 0 3 310.319 2.188 20 30 DEEDHN C#CCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000490892610 406502665 /nfs/dbraw/zinc/50/26/65/406502665.db2.gz MXLYJTDNMNXUDH-UHFFFAOYSA-N 0 3 303.362 2.024 20 30 DEEDHN N#Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000571321616 406505693 /nfs/dbraw/zinc/50/56/93/406505693.db2.gz IPJQQEZOXMURAK-INIZCTEOSA-N 0 3 321.384 2.349 20 30 DEEDHN CSC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCN(C)CC1 ZINC000571494563 406527265 /nfs/dbraw/zinc/52/72/65/406527265.db2.gz BUYJDMWSPTXVBD-QGZVFWFLSA-N 0 3 321.490 2.404 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccnc2ccccc12 ZINC000491464805 406599493 /nfs/dbraw/zinc/59/94/93/406599493.db2.gz TZTKVMQKXCHEBB-UHFFFAOYSA-N 0 3 309.413 2.239 20 30 DEEDHN C#C[C@H](NC(=O)NCC(C)(C)N1CCC(OC)CC1)C(C)(C)C ZINC000491524498 406611174 /nfs/dbraw/zinc/61/11/74/406611174.db2.gz MEKGBPQPZWOEKB-HNNXBMFYSA-N 0 3 323.481 2.223 20 30 DEEDHN CC(C#N)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000491566289 406624616 /nfs/dbraw/zinc/62/46/16/406624616.db2.gz CHQLDCFSLNYHJW-RYUDHWBXSA-N 0 3 309.410 2.298 20 30 DEEDHN CSc1ccc(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000572235722 406626848 /nfs/dbraw/zinc/62/68/48/406626848.db2.gz GVFAWTRNZONEPL-BFHYXJOUSA-N 0 3 306.431 2.430 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000551948004 406657998 /nfs/dbraw/zinc/65/79/98/406657998.db2.gz RJLINZJKDVBWEI-GFCCVEGCSA-N 0 3 302.378 2.125 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000491812254 406731958 /nfs/dbraw/zinc/73/19/58/406731958.db2.gz NIGBFHZECFVCGY-RYTJFDOTSA-N 0 3 303.450 2.162 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C\c1cnccn1)C(C)C ZINC000491828898 406739931 /nfs/dbraw/zinc/73/99/31/406739931.db2.gz VIMKQVNXVMLXKE-QWPQOLDESA-N 0 3 314.433 2.305 20 30 DEEDHN CN(C)CCNC(=O)c1ccc(NCc2cccc(C#N)c2)cc1 ZINC000527765839 406742443 /nfs/dbraw/zinc/74/24/43/406742443.db2.gz ZZLAKEUBSVVMLR-UHFFFAOYSA-N 0 3 322.412 2.462 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C\CN(C)C)c1 ZINC000491873868 406758749 /nfs/dbraw/zinc/75/87/49/406758749.db2.gz VBSZSJVBOLTXTH-AJHXJQRKSA-N 0 3 301.390 2.102 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCS(=O)(=O)C1 ZINC000552922700 406727636 /nfs/dbraw/zinc/72/76/36/406727636.db2.gz OVFYUDQGQAWQQW-GDBMZVCRSA-N 0 3 304.415 2.102 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc[nH]1 ZINC000492010731 406808421 /nfs/dbraw/zinc/80/84/21/406808421.db2.gz PUKUVYUOVZASEQ-HJWRWDBZSA-N 0 3 322.412 2.490 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000577068948 406834953 /nfs/dbraw/zinc/83/49/53/406834953.db2.gz OKPARACAMDLXTG-HNNXBMFYSA-N 0 3 314.433 2.500 20 30 DEEDHN C=CCC(C)(C)CNCc1ccc(S(N)(=O)=O)cc1F ZINC000647213038 406973324 /nfs/dbraw/zinc/97/33/24/406973324.db2.gz JXPRVPGOLCOPEI-UHFFFAOYSA-N 0 3 300.399 2.165 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H]2NCC2(C)C)cc(OC)c1OC ZINC000643985487 407069505 /nfs/dbraw/zinc/06/95/05/407069505.db2.gz OBEZUWOCBPRDQJ-MRXNPFEDSA-N 0 3 318.417 2.047 20 30 DEEDHN C=CCc1cc(C(=O)N2CCNCC2(C)C)cc(OC)c1OC ZINC000644074514 407081536 /nfs/dbraw/zinc/08/15/36/407081536.db2.gz SQWDVQNVSCQQSX-UHFFFAOYSA-N 0 3 318.417 2.256 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1OC ZINC000644822531 407200252 /nfs/dbraw/zinc/20/02/52/407200252.db2.gz UPKDLPJAECLGNB-LSDHHAIUSA-N 0 3 316.401 2.036 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000329867969 287262701 /nfs/dbraw/zinc/26/27/01/287262701.db2.gz WUVLDOCADQTPMW-ZIAGYGMSSA-N 0 3 320.437 2.103 20 30 DEEDHN CN1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000133756088 196333819 /nfs/dbraw/zinc/33/38/19/196333819.db2.gz SPPXCWXMMWFKMN-MRXNPFEDSA-N 0 3 300.406 2.425 20 30 DEEDHN N#CC(C(=O)c1cccc(C(N)=O)c1)c1cnc2ccccc2n1 ZINC000190937352 225098284 /nfs/dbraw/zinc/09/82/84/225098284.db2.gz QEZQNOUFSCFMBE-ZDUSSCGKSA-N 0 3 316.320 2.219 20 30 DEEDHN N=C(NC[C@H]1COC2(CCCC2)O1)Nc1cc(F)ccc1F ZINC000262243472 225266475 /nfs/dbraw/zinc/26/64/75/225266475.db2.gz BXMXWTZDIPRRPJ-NSHDSACASA-N 0 3 311.332 2.377 20 30 DEEDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330887933 226039732 /nfs/dbraw/zinc/03/97/32/226039732.db2.gz AGAMPOAMTMBBCM-ZYHUDNBSSA-N 0 3 307.350 2.391 20 30 DEEDHN COCC(C)(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000330921987 226043250 /nfs/dbraw/zinc/04/32/50/226043250.db2.gz QWOBGXXCLAOSEO-GOEBONIOSA-N 0 3 319.449 2.436 20 30 DEEDHN C[C@@H](O)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000331180322 226068223 /nfs/dbraw/zinc/06/82/23/226068223.db2.gz GVNIKRWHPURLNQ-RHSMWYFYSA-N 0 3 300.402 2.378 20 30 DEEDHN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(CC(C)(C)CCC#N)C1 ZINC000332697681 226098323 /nfs/dbraw/zinc/09/83/23/226098323.db2.gz MQNBIJVEWYLTQX-GJZGRUSLSA-N 0 3 307.438 2.028 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000337746841 226142278 /nfs/dbraw/zinc/14/22/78/226142278.db2.gz XCZADLUJAFKTPC-LHLIQPBNSA-N 0 3 313.126 2.298 20 30 DEEDHN O=C1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H](C2CC2)N1 ZINC000342027895 226236828 /nfs/dbraw/zinc/23/68/28/226236828.db2.gz CYWQANYYLLHLOS-DOTOQJQBSA-N 0 3 302.805 2.338 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2cccc(OC)c2)C[C@H]1C ZINC001328265508 1148759193 /nfs/dbraw/zinc/75/91/93/1148759193.db2.gz BYHBSZBFUWMACD-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C#CCN(C)CCCNc1cc(C(=O)OCC)c(Cl)cn1 ZINC000491106744 421193943 /nfs/dbraw/zinc/19/39/43/421193943.db2.gz ZFEGZQNLLZHGIE-UHFFFAOYSA-N 0 3 309.797 2.279 20 30 DEEDHN Cc1cc(NC(=O)N2CCCC23CCN(C)CC3)ncc1C#N ZINC000603122760 422449066 /nfs/dbraw/zinc/44/90/66/422449066.db2.gz VKQVJVRSCQMDEO-UHFFFAOYSA-N 0 3 313.405 2.354 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634456978 424844036 /nfs/dbraw/zinc/84/40/36/424844036.db2.gz OXKGABSYJHFPRC-KRWDZBQOSA-N 0 3 302.418 2.278 20 30 DEEDHN Cc1ccc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1C#N ZINC000373012431 424885659 /nfs/dbraw/zinc/88/56/59/424885659.db2.gz VHZXULBWQLZEFE-UHFFFAOYSA-N 0 3 323.400 2.582 20 30 DEEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)nc1N ZINC000574053513 424941930 /nfs/dbraw/zinc/94/19/30/424941930.db2.gz MLTPVEPZPAUUMF-AWEZNQCLSA-N 0 3 311.389 2.768 20 30 DEEDHN N#Cc1ccc(NC[C@H]2CCCN(Cc3ccccc3)C2)nc1N ZINC000594547411 425012155 /nfs/dbraw/zinc/01/21/55/425012155.db2.gz MQZOBHLHFLUTEC-MRXNPFEDSA-N 0 3 321.428 2.860 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000649336898 424996574 /nfs/dbraw/zinc/99/65/74/424996574.db2.gz ISTOIDQBZCJFRN-GOSISDBHSA-N 0 3 316.445 2.260 20 30 DEEDHN CCc1nc(C#N)cc(NC[C@H](c2cccs2)N(C)C)n1 ZINC000596055627 425016848 /nfs/dbraw/zinc/01/68/48/425016848.db2.gz TYWXKGLTYDSQEL-GFCCVEGCSA-N 0 3 301.419 2.687 20 30 DEEDHN N#Cc1cnnc(NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000596104734 425018084 /nfs/dbraw/zinc/01/80/84/425018084.db2.gz XLXJEGLXIWYZAE-ZDUSSCGKSA-N 0 3 313.430 2.734 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)OC[C@@H]2CC)CC1 ZINC000650852401 425067166 /nfs/dbraw/zinc/06/71/66/425067166.db2.gz CLBOZSUOGKUKPZ-HNNXBMFYSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCOCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649751729 425074263 /nfs/dbraw/zinc/07/42/63/425074263.db2.gz QSTPVIIHYLVLNL-RBUKOAKNSA-N 0 3 316.445 2.164 20 30 DEEDHN C=CCCn1cc(CN2CCN(C)CC23CCCCC3)nn1 ZINC000653565547 425179004 /nfs/dbraw/zinc/17/90/04/425179004.db2.gz SDVXBSLPDWJLNI-UHFFFAOYSA-N 0 3 303.454 2.305 20 30 DEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1CC(F)(F)F ZINC000661115377 425326675 /nfs/dbraw/zinc/32/66/75/425326675.db2.gz REJIDQCELBCEKT-QWRGUYRKSA-N 0 3 303.332 2.460 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661120639 425328193 /nfs/dbraw/zinc/32/81/93/425328193.db2.gz PZCZDMMYUJFHKF-IKGGRYGDSA-N 0 3 323.481 2.387 20 30 DEEDHN C=CC[C@@H]1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000661131982 425331278 /nfs/dbraw/zinc/33/12/78/425331278.db2.gz YJYPPZILUHQRIA-MRXNPFEDSA-N 0 3 322.497 2.010 20 30 DEEDHN N#CC[C@@H]1CCCN(CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000661152659 425335769 /nfs/dbraw/zinc/33/57/69/425335769.db2.gz GLDXTBJJCXHMHW-HNNXBMFYSA-N 0 3 313.401 2.001 20 30 DEEDHN C=CCN(C(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@H](C)COC ZINC000664033602 425293668 /nfs/dbraw/zinc/29/36/68/425293668.db2.gz SRAFQHZGQGCYJE-BZUAXINKSA-N 0 3 311.470 2.482 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cncc(OC(C)C)n2)CC1 ZINC000654150828 425296630 /nfs/dbraw/zinc/29/66/30/425296630.db2.gz YRUAEQSERLTKSN-UHFFFAOYSA-N 0 3 319.409 2.036 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000654431769 425352611 /nfs/dbraw/zinc/35/26/11/425352611.db2.gz ZFHZMCPYBPIXOZ-IAGOWNOFSA-N 0 3 321.465 2.284 20 30 DEEDHN CC[C@@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516563243 267202079 /nfs/dbraw/zinc/20/20/79/267202079.db2.gz AFHCFLQFCCHJTL-CABCVRRESA-N 0 3 321.446 2.143 20 30 DEEDHN Cc1cnc(CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)s1 ZINC001368908563 1148762007 /nfs/dbraw/zinc/76/20/07/1148762007.db2.gz YRLCRZJXDKRNON-NSHDSACASA-N 0 3 308.451 2.185 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001086098823 784408292 /nfs/dbraw/zinc/40/82/92/784408292.db2.gz YQHQINUBIXIZTC-RQJABVFESA-N 0 3 300.830 2.181 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000661380867 425394366 /nfs/dbraw/zinc/39/43/66/425394366.db2.gz QNGFLACOTVQACW-RDJZCZTQSA-N 0 3 314.429 2.394 20 30 DEEDHN C=CC[C@@H]1CCCN(CC(=O)NCCOc2ccccc2)C1 ZINC000661376282 425395062 /nfs/dbraw/zinc/39/50/62/425395062.db2.gz AHFISKGPULQGKV-MRXNPFEDSA-N 0 3 302.418 2.470 20 30 DEEDHN C=CCOCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000661796488 425503188 /nfs/dbraw/zinc/50/31/88/425503188.db2.gz XWACJEVXNCETOA-KRWDZBQOSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659373697 425588120 /nfs/dbraw/zinc/58/81/20/425588120.db2.gz UZJLPIUVWGJWIG-CJNGLKHVSA-N 0 3 304.390 2.267 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000665871118 425661984 /nfs/dbraw/zinc/66/19/84/425661984.db2.gz QHIFOSIACVTHIR-WMZOPIPTSA-N 0 3 320.433 2.131 20 30 DEEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](CC)NC)cc1 ZINC000662515703 425671714 /nfs/dbraw/zinc/67/17/14/425671714.db2.gz SLETUGROBNAWRZ-INIZCTEOSA-N 0 3 315.417 2.437 20 30 DEEDHN C=C(C)Cn1c(COC)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655632190 425615438 /nfs/dbraw/zinc/61/54/38/425615438.db2.gz HXPGYYYJZBVEPA-UHFFFAOYSA-N 0 3 321.469 2.311 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662317013 425621064 /nfs/dbraw/zinc/62/10/64/425621064.db2.gz ZFLGQQQTKZZQGI-HDICACEKSA-N 0 3 306.450 2.304 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCC#Cc1ccccc1 ZINC000660295230 425786419 /nfs/dbraw/zinc/78/64/19/425786419.db2.gz PROGMCDVTPCCBW-KRWDZBQOSA-N 0 3 313.445 2.458 20 30 DEEDHN N#Cc1cccc(C2(NC[C@@H](O)COCc3ccco3)CC2)c1 ZINC000341976410 269026602 /nfs/dbraw/zinc/02/66/02/269026602.db2.gz VDKNQQZWNRSAHY-MRXNPFEDSA-N 0 3 312.369 2.308 20 30 DEEDHN C=CC[C@H]1N(C(=O)C(=O)N[C@H](CN)CCCC)CCCC1(C)C ZINC000420116707 273487217 /nfs/dbraw/zinc/48/72/17/273487217.db2.gz GLZGHTUSCDPPFE-LSDHHAIUSA-N 0 3 323.481 2.213 20 30 DEEDHN CS[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000271862863 274184710 /nfs/dbraw/zinc/18/47/10/274184710.db2.gz YCMCPOALUCOVON-USQNJUIBSA-N 0 3 315.442 2.075 20 30 DEEDHN CS[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000270415549 274184984 /nfs/dbraw/zinc/18/49/84/274184984.db2.gz BYOPSAAWFDXDKN-KJMJWJSPSA-N 0 3 315.442 2.075 20 30 DEEDHN O[C@@H]1CCC[C@H]1N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000362156557 275053613 /nfs/dbraw/zinc/05/36/13/275053613.db2.gz QEOVUSLDBQHGCK-QZTJIDSGSA-N 0 3 318.848 2.223 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000319405175 276036423 /nfs/dbraw/zinc/03/64/23/276036423.db2.gz MTLNBPAMFCJVSN-UXLLHSPISA-N 0 3 309.454 2.056 20 30 DEEDHN CC(C)CN(C[C@H](O)CN(C)C1CC1)c1ccc(C#N)cc1 ZINC000351540366 277380817 /nfs/dbraw/zinc/38/08/17/277380817.db2.gz VJXBWYXAHNQMDJ-GOSISDBHSA-N 0 3 301.434 2.476 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCOCC(F)F)C(C)C ZINC000277191578 277847841 /nfs/dbraw/zinc/84/78/41/277847841.db2.gz DHDJOVHUDKCSCX-AWEZNQCLSA-N 0 3 318.408 2.473 20 30 DEEDHN C[C@@H](NC(=O)CN1C[C@@H](C)CC1(C)C)C(=O)N1CCCCC1 ZINC000329921083 278182088 /nfs/dbraw/zinc/18/20/88/278182088.db2.gz FLKYZQRVDMLVNC-UONOGXRCSA-N 0 3 309.454 2.464 20 30 DEEDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000493676100 279164179 /nfs/dbraw/zinc/16/41/79/279164179.db2.gz IKYHALAXPIOIGW-WMZOPIPTSA-N 0 3 315.417 2.074 20 30 DEEDHN C[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C1=CCN(C)CC1 ZINC000329698794 279180818 /nfs/dbraw/zinc/18/08/18/279180818.db2.gz FVINNBVTZBLSQW-CFVMTHIKSA-N 0 3 320.437 2.134 20 30 DEEDHN C[C@H](CCC#N)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000299425213 279253175 /nfs/dbraw/zinc/25/31/75/279253175.db2.gz XFFJFCFGHDUVFT-GOSISDBHSA-N 0 3 314.477 2.428 20 30 DEEDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(C#N)c(F)c1 ZINC000272006156 279479463 /nfs/dbraw/zinc/47/94/63/279479463.db2.gz LIKATPYWLUTUGK-SWLSCSKDSA-N 0 3 320.364 2.270 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(c2nc3ccccn3c2C#N)C[C@@H](C)C1 ZINC000488719786 280020133 /nfs/dbraw/zinc/02/01/33/280020133.db2.gz OXIJELAULCKBSZ-SOUVJXGZSA-N 0 3 309.417 2.372 20 30 DEEDHN CC[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C#N)cc1 ZINC000278733008 280197383 /nfs/dbraw/zinc/19/73/83/280197383.db2.gz MUKIIPLQDQJKRN-JKSUJKDBSA-N 0 3 321.446 2.023 20 30 DEEDHN CC(C)[C@H](CCO)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000273961122 280233163 /nfs/dbraw/zinc/23/31/63/280233163.db2.gz GNUWHHUYBDCNTJ-RDJZCZTQSA-N 0 3 317.433 2.318 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCN1C ZINC000329063206 297320838 /nfs/dbraw/zinc/32/08/38/297320838.db2.gz ZUACGNNUUZHMCA-IXYNUQLISA-N 0 3 320.437 2.327 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1cc[nH]c1 ZINC001424573590 1173837726 /nfs/dbraw/zinc/83/77/26/1173837726.db2.gz HBNIVJPIGGSQHU-JTQLQIEISA-N 0 3 300.200 2.021 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@H]1C ZINC001088973575 782091181 /nfs/dbraw/zinc/09/11/81/782091181.db2.gz WFORNGJQSOYSDM-OLZOCXBDSA-N 0 3 305.447 2.482 20 30 DEEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000574206279 326132678 /nfs/dbraw/zinc/13/26/78/326132678.db2.gz RMYVBXSEGHDWKD-ZDUSSCGKSA-N 0 3 321.384 2.370 20 30 DEEDHN N#CC1(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000518661363 332119668 /nfs/dbraw/zinc/11/96/68/332119668.db2.gz PVHJXAMMJWOEGR-INIZCTEOSA-N 0 3 312.417 2.254 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccncc2CC)CC1 ZINC000352131365 336195936 /nfs/dbraw/zinc/19/59/36/336195936.db2.gz BYRGTXNMOOZXPU-UHFFFAOYSA-N 0 3 316.449 2.484 20 30 DEEDHN CN(C)[C@@H](CNC(=O)NCC1(CC#N)CC1)Cc1ccccc1 ZINC000362346032 336793267 /nfs/dbraw/zinc/79/32/67/336793267.db2.gz JKIPAZICPGAFBF-MRXNPFEDSA-N 0 3 314.433 2.152 20 30 DEEDHN N#C[C@@]1(NC(=O)c2cccc(CN3CCCCC3)c2)CCOC1 ZINC000582712841 337123931 /nfs/dbraw/zinc/12/39/31/337123931.db2.gz CBTSMJVURMIFDB-SFHVURJKSA-N 0 3 313.401 2.085 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]nc1CC)C(C)C ZINC000264435858 337632581 /nfs/dbraw/zinc/63/25/81/337632581.db2.gz RNCDHWUCSXXUQJ-MRXNPFEDSA-N 0 3 304.438 2.401 20 30 DEEDHN COC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424167679 337790552 /nfs/dbraw/zinc/79/05/52/337790552.db2.gz HIRHKSAQCJSCKE-KBPBESRZSA-N 0 3 309.797 2.165 20 30 DEEDHN CC(C#N)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000430447228 338107237 /nfs/dbraw/zinc/10/72/37/338107237.db2.gz MKAGFGLHUKHBSP-SRCQZFHVSA-N 0 3 304.365 2.175 20 30 DEEDHN C#CCOc1ccccc1CNCC1CCN(C(=O)OC)CC1 ZINC000495688403 339990293 /nfs/dbraw/zinc/99/02/93/339990293.db2.gz OGSIPBQDURXSDB-UHFFFAOYSA-N 0 3 316.401 2.267 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496248676 340001540 /nfs/dbraw/zinc/00/15/40/340001540.db2.gz RYSYVFSGYQJPAR-QLFBSQMISA-N 0 3 323.437 2.104 20 30 DEEDHN CN1CCC(NN=C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496703872 340010919 /nfs/dbraw/zinc/01/09/19/340010919.db2.gz TYXNICWIUGOVDR-UHFFFAOYSA-N 0 3 322.453 2.057 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496863935 340014901 /nfs/dbraw/zinc/01/49/01/340014901.db2.gz JOBIHNVUJSHKRX-LRDDRELGSA-N 0 3 307.394 2.148 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CCC3(COC(=O)N3)CC2)cc1 ZINC000497017571 340018320 /nfs/dbraw/zinc/01/83/20/340018320.db2.gz OZLNITWOZOPNGH-CYBMUJFWSA-N 0 3 315.373 2.052 20 30 DEEDHN CC[C@@H](C)CN(CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000245989422 341321224 /nfs/dbraw/zinc/32/12/24/341321224.db2.gz HTPXWFOAQRRPBZ-IAGOWNOFSA-N 0 3 322.497 2.047 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000248854698 341388609 /nfs/dbraw/zinc/38/86/09/341388609.db2.gz VODFIXVWYSKUAI-NUEKZKHPSA-N 0 3 309.454 2.178 20 30 DEEDHN CCO[C@H]1C[C@@H]1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000567039870 341576162 /nfs/dbraw/zinc/57/61/62/341576162.db2.gz BSCMZCJSJIONIQ-HOTGVXAUSA-N 0 3 311.389 2.126 20 30 DEEDHN CC[C@H](CC#N)NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000575932223 341815708 /nfs/dbraw/zinc/81/57/08/341815708.db2.gz FJVCUBAGWITVDU-LLVKDONJSA-N 0 3 318.333 2.175 20 30 DEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc2c(c1)CCCC2 ZINC000576578955 341853256 /nfs/dbraw/zinc/85/32/56/341853256.db2.gz UWLATAXSSZLTRV-KXBFYZLASA-N 0 3 315.461 2.422 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2OCC)[C@H]1C ZINC001089015655 782112860 /nfs/dbraw/zinc/11/28/60/782112860.db2.gz KAQOWDIIXWWVRW-ZBFHGGJFSA-N 0 3 300.402 2.301 20 30 DEEDHN CS[C@H](C)CC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001376707722 1159710975 /nfs/dbraw/zinc/71/09/75/1159710975.db2.gz DEYIVXNYNLFRHP-VXGBXAGGSA-N 0 3 323.437 2.433 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001376715068 1159717407 /nfs/dbraw/zinc/71/74/07/1159717407.db2.gz PBXDVBWNNFHXMS-NWDGAFQWSA-N 0 3 309.435 2.029 20 30 DEEDHN CS[C@@H](C)C(=O)NCC[C@@H](C)NCc1cc(C#N)ccc1F ZINC001377065198 1159889478 /nfs/dbraw/zinc/88/94/78/1159889478.db2.gz GBGZFHJGISXWIM-NEPJUHHUSA-N 0 3 323.437 2.433 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC001357276017 1152280234 /nfs/dbraw/zinc/28/02/34/1152280234.db2.gz GTRKJKPFBCECLU-CQSZACIVSA-N 0 3 305.378 2.165 20 30 DEEDHN 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HDOTWETZJHNYQZ-UKRRQHHQSA-N 0 3 302.374 2.211 20 30 DEEDHN N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)cc1 ZINC001021850114 624122346 /nfs/dbraw/zinc/12/23/46/624122346.db2.gz DTVGZBRXVUUAQK-IYBDPMFKSA-N 0 3 321.380 2.314 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000971500873 624175896 /nfs/dbraw/zinc/17/58/96/624175896.db2.gz PLBKLPZXQDJXIQ-CABCVRRESA-N 0 3 319.355 2.246 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000971540258 624184827 /nfs/dbraw/zinc/18/48/27/624184827.db2.gz ROEMCIMEXGZZAP-STQMWFEESA-N 0 3 322.840 2.115 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC000971578356 624189663 /nfs/dbraw/zinc/18/96/63/624189663.db2.gz FNIPNAJRWBFWGL-UONOGXRCSA-N 0 3 302.422 2.113 20 30 DEEDHN C=CCN1CC[C@@H](N[C@](C)(CO)Cc2ccc(Cl)cc2)C1=O ZINC000933444186 624460716 /nfs/dbraw/zinc/46/07/16/624460716.db2.gz VNMVTZLEGKNIOC-WBVHZDCISA-N 0 3 322.836 2.010 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NCc2ncccc2C)C1 ZINC001022202577 624497570 /nfs/dbraw/zinc/49/75/70/624497570.db2.gz FWDNROYXIMGVSX-IYBDPMFKSA-N 0 3 324.428 2.428 20 30 DEEDHN CNc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)ncn1 ZINC000891620992 624498933 /nfs/dbraw/zinc/49/89/33/624498933.db2.gz MVLTWQMSJDJOER-UHFFFAOYSA-N 0 3 322.416 2.102 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cl)cc3C)[C@@H]2C1 ZINC000978660809 634386939 /nfs/dbraw/zinc/38/69/39/634386939.db2.gz YTJMCBRJEYLUMH-PHZGNYQRSA-N 0 3 302.805 2.189 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC000971744365 624530716 /nfs/dbraw/zinc/53/07/16/624530716.db2.gz CWSUTXZSFSGVKD-KRWDZBQOSA-N 0 3 314.429 2.273 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)cccc3Cl)[C@@H]2C1 ZINC000978671818 634389953 /nfs/dbraw/zinc/38/99/53/634389953.db2.gz WHHBEZWDBQQAJC-ZSOGYDGISA-N 0 3 302.805 2.189 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(F)ccc(C)c3F)[C@@H]2C1 ZINC000978674904 634391056 /nfs/dbraw/zinc/39/10/56/634391056.db2.gz GJCODTYOLLEZNO-ZSOGYDGISA-N 0 3 318.367 2.204 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001022515578 624707006 /nfs/dbraw/zinc/70/70/06/624707006.db2.gz FPRLCSDHQABYJV-TXEJJXNPSA-N 0 3 309.797 2.007 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC000971952427 624731621 /nfs/dbraw/zinc/73/16/21/624731621.db2.gz JPBNDQYOPSXQMK-JTQLQIEISA-N 0 3 316.327 2.069 20 30 DEEDHN C[C@H](Cc1cccnc1)NCC(=O)Nc1sccc1C#N ZINC000934236158 624796427 /nfs/dbraw/zinc/79/64/27/624796427.db2.gz MBFGSZCWTXLGIF-LLVKDONJSA-N 0 3 300.387 2.174 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC001027667145 634410638 /nfs/dbraw/zinc/41/06/38/634410638.db2.gz OXFVNHBARPKGBI-MRXNPFEDSA-N 0 3 304.821 2.439 20 30 DEEDHN C=CCCC[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000892188393 624832226 /nfs/dbraw/zinc/83/22/26/624832226.db2.gz HRUSFFDCPFFSGS-SJORKVTESA-N 0 3 317.433 2.372 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C)c2CCC)C[C@H]1C ZINC000947494694 624852209 /nfs/dbraw/zinc/85/22/09/624852209.db2.gz ZYKVKZAEZZMCOZ-ZIAGYGMSSA-N 0 3 304.438 2.141 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC000972246601 624902370 /nfs/dbraw/zinc/90/23/70/624902370.db2.gz PUQJDJRVERRBPE-DOTOQJQBSA-N 0 3 304.438 2.018 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001022852392 625027704 /nfs/dbraw/zinc/02/77/04/625027704.db2.gz HLCNZWBRVUADPU-OCAPTIKFSA-N 0 3 322.718 2.031 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC[C@@H](C)F)nc1 ZINC001024764113 625045583 /nfs/dbraw/zinc/04/55/83/625045583.db2.gz MWNWLZIOZSFWFF-ZBFHGGJFSA-N 0 3 317.408 2.395 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001020267793 625056124 /nfs/dbraw/zinc/05/61/24/625056124.db2.gz GLQYWWVLYLLVBS-HAQNSBGRSA-N 0 3 313.239 2.322 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)cc(=O)[nH]c1C ZINC001024807128 625064116 /nfs/dbraw/zinc/06/41/16/625064116.db2.gz AAPIPIVPGHKSAJ-AWEZNQCLSA-N 0 3 303.406 2.174 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000978807014 634425529 /nfs/dbraw/zinc/42/55/29/634425529.db2.gz LYKBNZZXOXXLGV-FJIDUMEYSA-N 0 3 321.424 2.152 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001024829094 625071583 /nfs/dbraw/zinc/07/15/83/625071583.db2.gz UVBWXVIHHHOLKD-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)cn2C)C[C@@H]1C ZINC000947519344 625078457 /nfs/dbraw/zinc/07/84/57/625078457.db2.gz DYSWVXKWCWIOFP-GXTWGEPZSA-N 0 3 307.825 2.285 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNCc2ccccn2)c1 ZINC001024916657 625107062 /nfs/dbraw/zinc/10/70/62/625107062.db2.gz VJKZPKYRJRRLEG-MRXNPFEDSA-N 0 3 323.400 2.066 20 30 DEEDHN N#Cc1cc(C(=O)N2CCCC[C@@H]2CNCc2cccnc2)c[nH]1 ZINC001024933254 625114213 /nfs/dbraw/zinc/11/42/13/625114213.db2.gz YORYPYVRSIKVDI-QGZVFWFLSA-N 0 3 323.400 2.066 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001026135651 625149842 /nfs/dbraw/zinc/14/98/42/625149842.db2.gz JIWWEZJMESEKJB-RNGZQALNSA-N 0 3 306.450 2.060 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCC[C@@H]2CNCc2ccnn2C)C1 ZINC001025074876 625196049 /nfs/dbraw/zinc/19/60/49/625196049.db2.gz URYWSVYMOSFYPI-MRXNPFEDSA-N 0 3 316.449 2.247 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001023377465 625244246 /nfs/dbraw/zinc/24/42/46/625244246.db2.gz MQUAIRXWVQGHJU-SQNIBIBYSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001023408891 625257885 /nfs/dbraw/zinc/25/78/85/625257885.db2.gz SVQGVZFTCMZESH-MRXNPFEDSA-N 0 3 309.413 2.323 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001023412523 625259047 /nfs/dbraw/zinc/25/90/47/625259047.db2.gz RRFRKMYPQSHPKR-AWEZNQCLSA-N 0 3 323.396 2.015 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001023418295 625261619 /nfs/dbraw/zinc/26/16/19/625261619.db2.gz YCUDRDWHZCFBOD-CYBMUJFWSA-N 0 3 306.356 2.430 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)noc2C2CC2)C[C@H]1C ZINC000947555325 625264099 /nfs/dbraw/zinc/26/40/99/625264099.db2.gz JMOLJXORAYOKBK-IUODEOHRSA-N 0 3 315.417 2.466 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ncoc1C ZINC001025208652 625266973 /nfs/dbraw/zinc/26/69/73/625266973.db2.gz XNZFQQSTKDCAKW-JKSUJKDBSA-N 0 3 315.417 2.465 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001025212599 625268916 /nfs/dbraw/zinc/26/89/16/625268916.db2.gz XYMAJWUYPYYOTC-IAGOWNOFSA-N 0 3 314.433 2.201 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1ccon1 ZINC001025212855 625269240 /nfs/dbraw/zinc/26/92/40/625269240.db2.gz IDHPWAHFIKNTKW-SJORKVTESA-N 0 3 315.417 2.086 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001023447771 625273979 /nfs/dbraw/zinc/27/39/79/625273979.db2.gz VXMSPPRLUSZWPD-HNNXBMFYSA-N 0 3 324.428 2.038 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001023453677 625275677 /nfs/dbraw/zinc/27/56/77/625275677.db2.gz FMTZYUZNMUQSPR-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001025643142 625720293 /nfs/dbraw/zinc/72/02/93/625720293.db2.gz BQPPAEOVCMPKFT-HOTGVXAUSA-N 0 3 313.445 2.288 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001024461544 625788390 /nfs/dbraw/zinc/78/83/90/625788390.db2.gz LMNGPGJJJCLOCA-ZDUSSCGKSA-N 0 3 313.405 2.118 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001024468874 625796552 /nfs/dbraw/zinc/79/65/52/625796552.db2.gz SHCVTWYIKKZUQA-MRXNPFEDSA-N 0 3 315.417 2.088 20 30 DEEDHN C=C[C@H](C(=O)N1CC[C@H](NCc2cncn2C)C1)c1ccccc1 ZINC001019805198 625837201 /nfs/dbraw/zinc/83/72/01/625837201.db2.gz WEZZLJIOVZGYIX-WMZOPIPTSA-N 0 3 324.428 2.080 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(COC)o2)C1 ZINC000999083491 634473434 /nfs/dbraw/zinc/47/34/34/634473434.db2.gz CVOWUUBUVMYWEW-UHFFFAOYSA-N 0 3 312.797 2.371 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4ccccc4o3)[C@@H]2C1 ZINC000979045083 634484808 /nfs/dbraw/zinc/48/48/08/634484808.db2.gz NCLIOQCURWVLII-PHZGNYQRSA-N 0 3 308.381 2.364 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(N[C@@H](C)c3cnccn3)C2)C1 ZINC000999374586 634570634 /nfs/dbraw/zinc/57/06/34/634570634.db2.gz OQNXRUHKAWDMJR-NFOMZHRRSA-N 0 3 314.433 2.473 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)NCc2cncs2)C1 ZINC000979372293 634597312 /nfs/dbraw/zinc/59/73/12/634597312.db2.gz HBMJFMWZPUJODJ-JSGCOSHPSA-N 0 3 323.462 2.061 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccn3ccnc23)C1 ZINC000999551692 634625067 /nfs/dbraw/zinc/62/50/67/634625067.db2.gz LXOIVDPXWXJPHG-UHFFFAOYSA-N 0 3 318.808 2.279 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2C1 ZINC000979479817 634654858 /nfs/dbraw/zinc/65/48/58/634654858.db2.gz HWTVDVQOXRFWOS-DJIMGWMZSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cnccn3)C[C@@H]2C1 ZINC000979483967 634656258 /nfs/dbraw/zinc/65/62/58/634656258.db2.gz ZIMGLOIGXMPCMV-BFHYXJOUSA-N 0 3 320.824 2.059 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cnccn3)C[C@@H]2C1 ZINC000979483972 634656915 /nfs/dbraw/zinc/65/69/15/634656915.db2.gz ZIMGLOIGXMPCMV-MJBXVCDLSA-N 0 3 320.824 2.059 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cn(C)nc2C(C)C)C1 ZINC000999831180 634691167 /nfs/dbraw/zinc/69/11/67/634691167.db2.gz ZLDFYOSKFIWHOZ-UHFFFAOYSA-N 0 3 324.856 2.489 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H](NCc3ccccn3)C2)cc1 ZINC000999872417 634696816 /nfs/dbraw/zinc/69/68/16/634696816.db2.gz QEVKWZAQNNYLAF-LJQANCHMSA-N 0 3 319.408 2.457 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cncs3)CC2)CC1 ZINC001000095708 634740409 /nfs/dbraw/zinc/74/04/09/634740409.db2.gz DBKUJFNRTFZCQO-UHFFFAOYSA-N 0 3 303.431 2.141 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cnc(C)s3)CC2)CC1 ZINC001000100873 634741520 /nfs/dbraw/zinc/74/15/20/634741520.db2.gz MYUZEUJJDUIWRH-UHFFFAOYSA-N 0 3 303.431 2.059 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(F)ccc2OC)CC1 ZINC000948662156 634758408 /nfs/dbraw/zinc/75/84/08/634758408.db2.gz RQSAFGLGPXJWDB-HNNXBMFYSA-N 0 3 318.392 2.394 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CC[C@@H](CC)O3)CC2)CC1 ZINC001000165899 634774757 /nfs/dbraw/zinc/77/47/57/634774757.db2.gz GITQZSMKPOJPNY-SJORKVTESA-N 0 3 318.461 2.328 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCC[C@@H](OC)C3)CC2)CC1 ZINC001000249824 634824009 /nfs/dbraw/zinc/82/40/09/634824009.db2.gz OFXSMBBJVSEGAG-DOTOQJQBSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000836488330 650097727 /nfs/dbraw/zinc/09/77/27/650097727.db2.gz KKDWYPMHLFARFK-AWEZNQCLSA-N 0 3 317.408 2.410 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001024728163 632953332 /nfs/dbraw/zinc/95/33/32/632953332.db2.gz SXCMLELCWFLEKH-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001024740821 632961202 /nfs/dbraw/zinc/96/12/02/632961202.db2.gz MXDNSCPQMWNLRY-CQSZACIVSA-N 0 3 303.406 2.235 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2N(C)C)[C@@H](C)C1 ZINC000945807404 633005816 /nfs/dbraw/zinc/00/58/16/633005816.db2.gz JBPDJQYGDNZZEJ-RDJZCZTQSA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)[C@@H](C)C1 ZINC000945808355 633005874 /nfs/dbraw/zinc/00/58/74/633005874.db2.gz OLSLXFXDQMWUAF-DZGCQCFKSA-N 0 3 316.449 2.400 20 30 DEEDHN CCc1nc(CNC[C@H]2CCN(C(=O)C#CC3CC3)C2)cs1 ZINC001026835471 633167909 /nfs/dbraw/zinc/16/79/09/633167909.db2.gz XXGAPYOGRPBTDE-CQSZACIVSA-N 0 3 317.458 2.057 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000996229863 633216144 /nfs/dbraw/zinc/21/61/44/633216144.db2.gz WPGQLFWYTDWRSZ-CRAIPNDOSA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccsc2COC)C(C)(C)C1 ZINC000974733666 633272208 /nfs/dbraw/zinc/27/22/08/633272208.db2.gz JJVXRGLFUAUDDL-OAHLLOKOSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)C(C)(C)C1 ZINC000974744576 633277868 /nfs/dbraw/zinc/27/78/68/633277868.db2.gz KIWAMXDWHGZJMG-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN CCCN(C)CC(=O)NCc1cccc(O[C@H](C#N)CC)c1 ZINC000733810137 633284092 /nfs/dbraw/zinc/28/40/92/633284092.db2.gz VRFAIHJNYPXDMK-HNNXBMFYSA-N 0 3 303.406 2.326 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2ccc(COC)o2)C(C)(C)C1 ZINC000974788479 633304772 /nfs/dbraw/zinc/30/47/72/633304772.db2.gz ABWHAVZJUGWVKJ-HNNXBMFYSA-N 0 3 306.406 2.442 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cncc(C)c2)C(C)(C)C1 ZINC000974877747 633346571 /nfs/dbraw/zinc/34/65/71/633346571.db2.gz FSDYZNUXDCDSAN-INIZCTEOSA-N 0 3 301.434 2.335 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)nn(C)c2C)C(C)(C)C1 ZINC000974877310 633346583 /nfs/dbraw/zinc/34/65/83/633346583.db2.gz DZLDVMRFVXNANT-CQSZACIVSA-N 0 3 304.438 2.053 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncsc2C2CC2)C(C)(C)C1 ZINC000975032556 633401439 /nfs/dbraw/zinc/40/14/39/633401439.db2.gz WJPIIWCMMGJRTJ-CYBMUJFWSA-N 0 3 317.458 2.484 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NCc2cnns2)CC1 ZINC000996955778 633541455 /nfs/dbraw/zinc/54/14/55/633541455.db2.gz KGRAINOTMKWTQC-OAHLLOKOSA-N 0 3 308.451 2.221 20 30 DEEDHN CSCC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027284218 633558073 /nfs/dbraw/zinc/55/80/73/633558073.db2.gz BZJIKGNDZABWQO-MRXNPFEDSA-N 0 3 317.458 2.344 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ncc(F)cc2F)CC1 ZINC000997176435 633663645 /nfs/dbraw/zinc/66/36/45/633663645.db2.gz KYJBBPYVOWYZIT-GFCCVEGCSA-N 0 3 321.371 2.213 20 30 DEEDHN COc1cccc(CN(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c1 ZINC001027336942 633664772 /nfs/dbraw/zinc/66/47/72/633664772.db2.gz WGQKVSODVRLTSD-GDBMZVCRSA-N 0 3 315.417 2.278 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000997231547 633685767 /nfs/dbraw/zinc/68/57/67/633685767.db2.gz RMVXPQHFOUIMAB-LAVFITLUSA-N 0 3 318.461 2.042 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc(C)nn2CC)CC1 ZINC000997317352 633706839 /nfs/dbraw/zinc/70/68/39/633706839.db2.gz YOPFFUTWZDZVNT-OAHLLOKOSA-N 0 3 316.449 2.065 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000997349351 633710256 /nfs/dbraw/zinc/71/02/56/633710256.db2.gz ZOPYVRSGBSXURX-CQSZACIVSA-N 0 3 324.428 2.335 20 30 DEEDHN Cc1cccc(OC[C@@H](O)CNCc2csc(C#N)c2)c1 ZINC000921596819 633743574 /nfs/dbraw/zinc/74/35/74/633743574.db2.gz NYQDQGLQJJYSCT-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000997383527 633750662 /nfs/dbraw/zinc/75/06/62/633750662.db2.gz LYBLYLHBCSNJQC-CYBMUJFWSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2oc(CC)nc2C)CC1 ZINC000997382481 633750782 /nfs/dbraw/zinc/75/07/82/633750782.db2.gz FSFARIOALCQSSD-CYBMUJFWSA-N 0 3 317.433 2.399 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2coc(C3CCC3)n2)CC1 ZINC000997386380 633751863 /nfs/dbraw/zinc/75/18/63/633751863.db2.gz PRLBLOWAYDQLSF-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc(OC)c2)CC1 ZINC000997402510 633754380 /nfs/dbraw/zinc/75/43/80/633754380.db2.gz OZAIHCIIUIHWSE-CQSZACIVSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000997448467 633764286 /nfs/dbraw/zinc/76/42/86/633764286.db2.gz IZKRKDNONQEJNZ-WBVHZDCISA-N 0 3 318.461 2.043 20 30 DEEDHN CCC(=O)N1CCC(CNCc2cc(F)ccc2C#N)CC1 ZINC000997446818 633764494 /nfs/dbraw/zinc/76/44/94/633764494.db2.gz ZYWWWZAKQZJWNA-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)c(F)cc2F)C1 ZINC001027460879 633828439 /nfs/dbraw/zinc/82/84/39/633828439.db2.gz QKDYMQGMYORYMB-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCSCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000888370684 633860461 /nfs/dbraw/zinc/86/04/61/633860461.db2.gz PTHGUFWDTNPJGX-GOEBONIOSA-N 0 3 302.443 2.305 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3cccnc32)C1 ZINC001027482093 633866118 /nfs/dbraw/zinc/86/61/18/633866118.db2.gz BKNUVMHEYHNFTP-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCOCC2)CC1 ZINC000997566146 633876371 /nfs/dbraw/zinc/87/63/71/633876371.db2.gz CBAIRHGMBDOFQT-RDJZCZTQSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccsc2C)C(C)(C)C1 ZINC000977213265 633880642 /nfs/dbraw/zinc/88/06/42/633880642.db2.gz ULKXFNIKQSIBKS-OAHLLOKOSA-N 0 3 304.459 2.449 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001027493551 633884021 /nfs/dbraw/zinc/88/40/21/633884021.db2.gz IXAZQYUZRXSPCL-SJLPKXTDSA-N 0 3 314.404 2.412 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000997637456 633906242 /nfs/dbraw/zinc/90/62/42/633906242.db2.gz XLDNHNIASVFYSC-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000997671953 633923703 /nfs/dbraw/zinc/92/37/03/633923703.db2.gz CUMYVWZJJHOGJY-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cncc(CC)c2)CC1 ZINC000997672798 633924196 /nfs/dbraw/zinc/92/41/96/633924196.db2.gz ILIPGZJZDOGLFN-HNNXBMFYSA-N 0 3 313.445 2.498 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001027511536 633955564 /nfs/dbraw/zinc/95/55/64/633955564.db2.gz BAMASQDCMXRYOO-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001027515287 633956768 /nfs/dbraw/zinc/95/67/68/633956768.db2.gz YLZQYEQIVRPCRS-OAHLLOKOSA-N 0 3 323.396 2.110 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cnn(C(F)F)c2)CC1 ZINC000997809507 633993727 /nfs/dbraw/zinc/99/37/27/633993727.db2.gz JPMXOLBQAVPTTE-LBPRGKRZSA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2coc(CC3CC3)n2)CC1 ZINC000997814090 633997487 /nfs/dbraw/zinc/99/74/87/633997487.db2.gz MNPXMBRLBBTYIQ-ZDUSSCGKSA-N 0 3 315.417 2.091 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2CCOCC2)CC1 ZINC000997891992 634022640 /nfs/dbraw/zinc/02/26/40/634022640.db2.gz PCHAYSLXZJLWRM-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccc(OC)cc2)C(C)(C)C1 ZINC000977526081 634027149 /nfs/dbraw/zinc/02/71/49/634027149.db2.gz WVRKCMKKSBGIKQ-MRXNPFEDSA-N 0 3 302.418 2.250 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)C(C)(C)C1 ZINC000977594185 634055255 /nfs/dbraw/zinc/05/52/55/634055255.db2.gz YQMLEWPKAHMICJ-OAHLLOKOSA-N 0 3 316.449 2.007 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C(C)(C)C1 ZINC000977615753 634066509 /nfs/dbraw/zinc/06/65/09/634066509.db2.gz MLKBNTIARMGYGT-AWEZNQCLSA-N 0 3 317.433 2.420 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(CC)n[nH]2)CC1 ZINC000997939038 634068799 /nfs/dbraw/zinc/06/87/99/634068799.db2.gz ISPUYQIRUGCANY-MRXNPFEDSA-N 0 3 316.449 2.312 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c[nH]c3ncccc23)C(C)(C)C1 ZINC000977628675 634069024 /nfs/dbraw/zinc/06/90/24/634069024.db2.gz NPTBAXMJJZMCAB-HNNXBMFYSA-N 0 3 312.417 2.118 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cncnc2C)CC1 ZINC000997937608 634069274 /nfs/dbraw/zinc/06/92/74/634069274.db2.gz AQRGEAJRSXPSBI-INIZCTEOSA-N 0 3 314.433 2.125 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)nn2C)CC1 ZINC000997945311 634071711 /nfs/dbraw/zinc/07/17/11/634071711.db2.gz VODAGKMQEUCVHB-MRXNPFEDSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnc3ccccn32)CC1 ZINC000998054677 634124728 /nfs/dbraw/zinc/12/47/28/634124728.db2.gz YERMLMBAMBBVJK-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cncc(C#C)c2)CC1 ZINC000998116408 634146120 /nfs/dbraw/zinc/14/61/20/634146120.db2.gz NGUKSMIDTJPTEK-SFHVURJKSA-N 0 3 309.413 2.013 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnn3ccccc23)CC1 ZINC000998149174 634154660 /nfs/dbraw/zinc/15/46/60/634154660.db2.gz GTBQYMKQGUHQOR-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2nc(C)oc2C)CC1 ZINC000998160904 634157253 /nfs/dbraw/zinc/15/72/53/634157253.db2.gz PCWDRQBZCCTTTC-HNNXBMFYSA-N 0 3 303.406 2.241 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cncs2)CC[C@H]1C(F)(F)F ZINC000998238215 634181670 /nfs/dbraw/zinc/18/16/70/634181670.db2.gz NYPVIRVPANBSEJ-NXEZZACHSA-N 0 3 319.352 2.312 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ncoc2C)CC[C@H]1C(F)(F)F ZINC000998239348 634183318 /nfs/dbraw/zinc/18/33/18/634183318.db2.gz BMLGGSDCJIVCGN-GHMZBOCLSA-N 0 3 317.311 2.152 20 30 DEEDHN C=C(C)CN[C@H]1CN(C(=O)c2cocn2)CC[C@H]1C(F)(F)F ZINC000998241983 634183608 /nfs/dbraw/zinc/18/36/08/634183608.db2.gz ZQUPKFVJRLRSKI-MNOVXSKESA-N 0 3 317.311 2.233 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cc[nH]c2)CC[C@H]1C(F)(F)F ZINC000998265013 634192812 /nfs/dbraw/zinc/19/28/12/634192812.db2.gz GEIWKUXIHJTOEH-VXGBXAGGSA-N 0 3 301.312 2.183 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2oncc2C)CC[C@@H]1C(F)(F)F ZINC000998317783 634210969 /nfs/dbraw/zinc/21/09/69/634210969.db2.gz WUNLRCQCOQMGHQ-QWRGUYRKSA-N 0 3 317.311 2.152 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001027593114 634233757 /nfs/dbraw/zinc/23/37/57/634233757.db2.gz FBKGUQLNABRCCT-RBUKOAKNSA-N 0 3 310.441 2.348 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001027604324 634263362 /nfs/dbraw/zinc/26/33/62/634263362.db2.gz OUVFFZMIHZZVOW-AWEZNQCLSA-N 0 3 315.417 2.080 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(F)ccc3CC)[C@@H]2C1 ZINC000978430941 634309642 /nfs/dbraw/zinc/30/96/42/634309642.db2.gz UTYGHHVUBMHFLM-NNZMDNLPSA-N 0 3 314.404 2.319 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)n(CC)c3C)[C@@H]2C1 ZINC000978453798 634319093 /nfs/dbraw/zinc/31/90/93/634319093.db2.gz MISSKYRLVHTOPS-NNZMDNLPSA-N 0 3 313.445 2.056 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001027644198 634376286 /nfs/dbraw/zinc/37/62/86/634376286.db2.gz YLKZXSIJSRDZNB-AWEZNQCLSA-N 0 3 302.422 2.011 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001027644198 634376288 /nfs/dbraw/zinc/37/62/88/634376288.db2.gz YLKZXSIJSRDZNB-AWEZNQCLSA-N 0 3 302.422 2.011 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3c[nH]nc3C)C[C@H]2C1 ZINC000980163993 634872099 /nfs/dbraw/zinc/87/20/99/634872099.db2.gz SLQSFYUBDYWDPJ-IHRRRGAJSA-N 0 3 322.840 2.301 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC000980286616 634931183 /nfs/dbraw/zinc/93/11/83/634931183.db2.gz RAWAEDXTYNVWLJ-HNNXBMFYSA-N 0 3 304.438 2.180 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2ccc3c(c2)CCC3)C1 ZINC000980317735 634947441 /nfs/dbraw/zinc/94/74/41/634947441.db2.gz UQNGPGFEDJSFGL-KRWDZBQOSA-N 0 3 314.429 2.273 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001027963670 635096392 /nfs/dbraw/zinc/09/63/92/635096392.db2.gz COTRSALGWCPCBJ-OAHLLOKOSA-N 0 3 312.417 2.413 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3COc4ccccc43)CC2)CC1 ZINC001000343754 635150600 /nfs/dbraw/zinc/15/06/00/635150600.db2.gz NNPQEACEBWAGHP-QGZVFWFLSA-N 0 3 324.424 2.157 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001028005268 635214816 /nfs/dbraw/zinc/21/48/16/635214816.db2.gz PAIYXISAZNNZGV-KRWDZBQOSA-N 0 3 300.402 2.051 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000981081032 635299416 /nfs/dbraw/zinc/29/94/16/635299416.db2.gz VYTXLZYRMHSLGD-HOTGVXAUSA-N 0 3 323.400 2.112 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccccc2COC)CC1 ZINC001000901391 635334713 /nfs/dbraw/zinc/33/47/13/635334713.db2.gz JZEVNACCMSQYHQ-UHFFFAOYSA-N 0 3 300.402 2.381 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc3c2CCOC3)CC1 ZINC001000939400 635360005 /nfs/dbraw/zinc/36/00/05/635360005.db2.gz NOSYSYUHFKDVRX-UHFFFAOYSA-N 0 3 312.413 2.307 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000837375756 650192152 /nfs/dbraw/zinc/19/21/52/650192152.db2.gz FFRWNJROKPCCEL-OAHLLOKOSA-N 0 3 302.443 2.490 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cnc(C(C)C)nc2C)CC1 ZINC001001235471 635436696 /nfs/dbraw/zinc/43/66/96/635436696.db2.gz URMNIPSDUQKNKM-UHFFFAOYSA-N 0 3 314.433 2.456 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2c(C)nn(CC)c2C)CC1 ZINC001001269404 635445691 /nfs/dbraw/zinc/44/56/91/635445691.db2.gz NXUNHIMSOGLGNX-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc3nccnc32)CC1 ZINC001001298031 635454086 /nfs/dbraw/zinc/45/40/86/635454086.db2.gz HCVSVWRZIMVNSV-UHFFFAOYSA-N 0 3 308.385 2.178 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2coc(C(C)(C)C)n2)CC1 ZINC001001401368 635478157 /nfs/dbraw/zinc/47/81/57/635478157.db2.gz FIPXAWBXFYYFJZ-UHFFFAOYSA-N 0 3 317.433 2.437 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC001001380093 635482216 /nfs/dbraw/zinc/48/22/16/635482216.db2.gz CHOGBJZIIHXMFP-UHFFFAOYSA-N 0 3 324.384 2.285 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(F)cccc2OC)CC1 ZINC001001430832 635497152 /nfs/dbraw/zinc/49/71/52/635497152.db2.gz JNABNJSKEABUHF-UHFFFAOYSA-N 0 3 318.392 2.299 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001001502483 635513272 /nfs/dbraw/zinc/51/32/72/635513272.db2.gz RIPCXCVARUNLPB-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC001001479849 635516700 /nfs/dbraw/zinc/51/67/00/635516700.db2.gz UVVGDVYMAWEJEM-UHFFFAOYSA-N 0 3 322.840 2.091 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C)ccc2OC)CC1 ZINC001001597365 635530502 /nfs/dbraw/zinc/53/05/02/635530502.db2.gz FJUQWHZJAZZBBR-UHFFFAOYSA-N 0 3 300.402 2.079 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C[C@H](F)CC)CC1 ZINC001001850494 635561106 /nfs/dbraw/zinc/56/11/06/635561106.db2.gz AKKIOFSLKYWAMA-OAGGEKHMSA-N 0 3 312.429 2.154 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC000981684394 635592482 /nfs/dbraw/zinc/59/24/82/635592482.db2.gz HGQWAQYWRMCWSU-HNNXBMFYSA-N 0 3 304.438 2.024 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2coc(CC3CC3)n2)CC1 ZINC001001990254 635597150 /nfs/dbraw/zinc/59/71/50/635597150.db2.gz UIKYVTNYRYEPEQ-UHFFFAOYSA-N 0 3 315.417 2.092 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc3[nH]ccc3s2)CC1 ZINC001002082226 635621049 /nfs/dbraw/zinc/62/10/49/635621049.db2.gz MZKLFBDKYLHSHY-UHFFFAOYSA-N 0 3 301.415 2.304 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2c(C)onc2CC)CC1 ZINC001002116418 635623901 /nfs/dbraw/zinc/62/39/01/635623901.db2.gz GGXIAGIABANQAQ-UHFFFAOYSA-N 0 3 303.406 2.011 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC001002129245 635625137 /nfs/dbraw/zinc/62/51/37/635625137.db2.gz OHQYVPLDLPZHLE-UHFFFAOYSA-N 0 3 316.449 2.022 20 30 DEEDHN N#CC(C(=O)CCOC[C@@H]1CCCO1)c1nc2ccccc2[nH]1 ZINC000075830891 635674292 /nfs/dbraw/zinc/67/42/92/635674292.db2.gz YVHKIVKHEYAAFI-STQMWFEESA-N 0 3 313.357 2.325 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300.406 2.011 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H](OC)C3CCCC3)C2)C1 ZINC000982133111 635885496 /nfs/dbraw/zinc/88/54/96/635885496.db2.gz AYWMGZZGVGEUJY-MRXNPFEDSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3ccc(F)cc3)C2)C1 ZINC000982136752 635888614 /nfs/dbraw/zinc/88/86/14/635888614.db2.gz XRTNWJITRCHBGG-UHFFFAOYSA-N 0 3 302.393 2.479 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)Cc3ccsc3)C[C@]2(C)C1 ZINC000982196754 635901161 /nfs/dbraw/zinc/90/11/61/635901161.db2.gz IFXANBCXDWIMAY-HDICACEKSA-N 0 3 316.470 2.484 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cncc(C)c3)C[C@]2(C)C1 ZINC000982245548 635917164 /nfs/dbraw/zinc/91/71/64/635917164.db2.gz LHMKEDFVQHLLIP-KDURUIRLSA-N 0 3 311.429 2.197 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3coc(CC)n3)C[C@]2(C)C1 ZINC000982259201 635927832 /nfs/dbraw/zinc/92/78/32/635927832.db2.gz XFKFVYXORHFEJF-CALCHBBNSA-N 0 3 303.406 2.207 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)C(C)(F)F)CCO2 ZINC000949191680 635988641 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CC#CCN1C[C@]2(C)CN(C(=O)c3cc(Cl)no3)C[C@]2(C)C1 ZINC000982752309 636387675 /nfs/dbraw/zinc/38/76/75/636387675.db2.gz JSHQZTBEGHQLGD-IYBDPMFKSA-N 0 3 321.808 2.135 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001028633065 636521808 /nfs/dbraw/zinc/52/18/08/636521808.db2.gz WLSGANJAKRQQFN-MCIONIFRSA-N 0 3 316.367 2.426 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC000983063262 636598671 /nfs/dbraw/zinc/59/86/71/636598671.db2.gz DBCRYZFPDAKGFM-UIBBOPPKSA-N 0 3 315.392 2.338 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001028681120 636620114 /nfs/dbraw/zinc/62/01/14/636620114.db2.gz OMCVMHRMTDSTSK-AWEZNQCLSA-N 0 3 312.413 2.042 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001028696856 636639333 /nfs/dbraw/zinc/63/93/33/636639333.db2.gz HOJQHRJHFFOYRW-GJZGRUSLSA-N 0 3 312.413 2.085 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2sccc2-n2cccc2)C1 ZINC001028724831 636671414 /nfs/dbraw/zinc/67/14/14/636671414.db2.gz 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C#CCN1CCC(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000801070292 645337575 /nfs/dbraw/zinc/33/75/75/645337575.db2.gz FRSPNIRYGXGWCR-UHFFFAOYSA-N 0 3 315.804 2.173 20 30 DEEDHN COc1ccc(N2CCCN(CCO[C@H](C)C#N)CC2)cc1 ZINC000801913650 645460802 /nfs/dbraw/zinc/46/08/02/645460802.db2.gz ZUNKREORMWZJFO-OAHLLOKOSA-N 0 3 303.406 2.136 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000801940158 645466207 /nfs/dbraw/zinc/46/62/07/645466207.db2.gz YPTRWEREVOXVHC-GWCFXTLKSA-N 0 3 302.296 2.257 20 30 DEEDHN C=CCN1CCN(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)C1=O ZINC000840067569 645856065 /nfs/dbraw/zinc/85/60/65/645856065.db2.gz MMNGSAXDAVAPLK-YYIAUSFCSA-N 0 3 321.465 2.129 20 30 DEEDHN C=CCc1cc(CN2CC[C@](O)(C(F)F)C2)c(O)c(OC)c1 ZINC000840117021 645988556 /nfs/dbraw/zinc/98/85/56/645988556.db2.gz FZUYVCOKQQJYLY-MRXNPFEDSA-N 0 3 313.344 2.331 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC)cc1C ZINC000912321923 646027159 /nfs/dbraw/zinc/02/71/59/646027159.db2.gz GMFFXDSYVVXBAX-AWEZNQCLSA-N 0 3 303.406 2.367 20 30 DEEDHN C#CCCS(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000808279424 646065601 /nfs/dbraw/zinc/06/56/01/646065601.db2.gz GAUKPJVICPTBPQ-UHFFFAOYSA-N 0 3 320.458 2.115 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC1CCN(C(=O)C(CC)CC)CC1 ZINC000912420105 646068743 /nfs/dbraw/zinc/06/87/43/646068743.db2.gz WKJQHNOXIRIGTE-MRXNPFEDSA-N 0 3 323.481 2.213 20 30 DEEDHN Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CC2)s1 ZINC000129430099 646087290 /nfs/dbraw/zinc/08/72/90/646087290.db2.gz LJGBSBWXQYUBJG-LLVKDONJSA-N 0 3 304.371 2.007 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913096117 646265431 /nfs/dbraw/zinc/26/54/31/646265431.db2.gz CIVLYQGGAFFIJE-JFIYKMOQSA-N 0 3 314.429 2.052 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC000950330434 646409827 /nfs/dbraw/zinc/40/98/27/646409827.db2.gz GBYNVGMRLYBXPW-MRXNPFEDSA-N 0 3 316.449 2.329 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc4ccccn34)CCC[C@H]12 ZINC000991498746 646428448 /nfs/dbraw/zinc/42/84/48/646428448.db2.gz 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/nfs/dbraw/zinc/72/88/11/646728811.db2.gz HDQVAEAVPHZIKG-XYLWRLHESA-N 0 3 321.329 2.482 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3CCC(C)(C)CO3)CCC[C@H]12 ZINC000991927630 646753396 /nfs/dbraw/zinc/75/33/96/646753396.db2.gz BMVPFNSXYWXWTN-TXPKVOOTSA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000173978080 646786454 /nfs/dbraw/zinc/78/64/54/646786454.db2.gz RNMNDUNRJHKNKG-ZDUSSCGKSA-N 0 3 316.357 2.325 20 30 DEEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986880 646786488 /nfs/dbraw/zinc/78/64/88/646786488.db2.gz CFALZSYNUZJTNS-OAHLLOKOSA-N 0 3 316.357 2.325 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000173982736 646786501 /nfs/dbraw/zinc/78/65/01/646786501.db2.gz SDYZFXSTKDPKGI-GRYCIOLGSA-N 0 3 306.312 2.302 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3CCO[C@H]3C3CC3)CCC[C@H]12 ZINC000991954569 646797468 /nfs/dbraw/zinc/79/74/68/646797468.db2.gz JSTDBIHONHUCSF-CVYDXHPNSA-N 0 3 304.434 2.101 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCO[C@H]3C3CC3)CCC[C@@H]12 ZINC000991954576 646797672 /nfs/dbraw/zinc/79/76/72/646797672.db2.gz JSTDBIHONHUCSF-XLMAVXFVSA-N 0 3 304.434 2.101 20 30 DEEDHN N#CC1(CCCCN2CCN([C@H]3CCC[C@@H]3O)CC2)CCC1 ZINC000929511855 646845900 /nfs/dbraw/zinc/84/59/00/646845900.db2.gz VOFAYRGJDCCJBA-IRXDYDNUSA-N 0 3 305.466 2.382 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)C3(c4cc(C)no4)CC3)CCC[C@H]12 ZINC000992125255 646863776 /nfs/dbraw/zinc/86/37/76/646863776.db2.gz HLKYSCOOAGQCFF-KBXCAEBGSA-N 0 3 315.417 2.314 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc4n[nH]cc4c3)CCC[C@@H]12 ZINC000992146931 646872377 /nfs/dbraw/zinc/87/23/77/646872377.db2.gz MNSHEVVIPFHHSW-SJLPKXTDSA-N 0 3 310.401 2.476 20 30 DEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCOC1 ZINC000730264269 646876549 /nfs/dbraw/zinc/87/65/49/646876549.db2.gz GAMHHXHVJLOESJ-RYUDHWBXSA-N 0 3 315.398 2.193 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3nccc4[nH]ccc43)CCC[C@@H]12 ZINC000992205606 646901344 /nfs/dbraw/zinc/90/13/44/646901344.db2.gz 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/nfs/dbraw/zinc/96/29/57/646962957.db2.gz IAMTUYNPUTZDNX-INIZCTEOSA-N 0 3 304.390 2.303 20 30 DEEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(CC)c(CC)c1 ZINC000815082416 646965448 /nfs/dbraw/zinc/96/54/48/646965448.db2.gz PNBCZOWSFUIKLV-UHFFFAOYSA-N 0 3 322.474 2.045 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccc(OC)c3)CCC[C@@H]12 ZINC000992467336 647039920 /nfs/dbraw/zinc/03/99/20/647039920.db2.gz WEUHIJFUEJZHIN-MJGOQNOKSA-N 0 3 312.413 2.445 20 30 DEEDHN N#CC(C(=O)COc1ccc(Cl)c(F)c1)C(=O)N1CCCC1 ZINC000815904804 647064158 /nfs/dbraw/zinc/06/41/58/647064158.db2.gz QHOKFLDFKYYMAC-NSHDSACASA-N 0 3 324.739 2.189 20 30 DEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000152283947 647134071 /nfs/dbraw/zinc/13/40/71/647134071.db2.gz YCWFCTTXYMWSLC-SMDDNHRTSA-N 0 3 304.346 2.158 20 30 DEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000152353984 647142950 /nfs/dbraw/zinc/14/29/50/647142950.db2.gz PTMZACZSAKAMFF-NWDGAFQWSA-N 0 3 304.346 2.158 20 30 DEEDHN C#CCN(C(=O)NC[C@@H]1Cc2ccccc21)C1CCN(C)CC1 ZINC000914320673 647264211 /nfs/dbraw/zinc/26/42/11/647264211.db2.gz KHEBIMITRUJWHZ-INIZCTEOSA-N 0 3 311.429 2.065 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)nc1 ZINC000731466527 647481970 /nfs/dbraw/zinc/48/19/70/647481970.db2.gz UJYUCAZVTGIZTD-INIZCTEOSA-N 0 3 305.381 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000818593044 647484883 /nfs/dbraw/zinc/48/48/83/647484883.db2.gz JGLMGUXMICMIFY-GDBMZVCRSA-N 0 3 302.418 2.407 20 30 DEEDHN CCNC(=O)c1cccc(CNC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000818959477 647549671 /nfs/dbraw/zinc/54/96/71/647549671.db2.gz LGEBDACXRFOJDA-SFHVURJKSA-N 0 3 323.396 2.131 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3cccnc3n2)[C@H]1C ZINC000993333652 647614993 /nfs/dbraw/zinc/61/49/93/647614993.db2.gz HVIXBGZPVCOAQI-GDBMZVCRSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccncc2C)[C@H]1C ZINC000993332925 647616189 /nfs/dbraw/zinc/61/61/89/647616189.db2.gz SLTATKKAGSPUBR-WBVHZDCISA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccnn2C(C)C)[C@H]1C ZINC000993378031 647637280 /nfs/dbraw/zinc/63/72/80/647637280.db2.gz OTRVKEYGMOPFEH-CABCVRRESA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H]1C ZINC000993408996 647654254 /nfs/dbraw/zinc/65/42/54/647654254.db2.gz HOHYUYFHDPTIRN-OCCSQVGLSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(C)sc2C)[C@@H]1C ZINC000993472632 647674707 /nfs/dbraw/zinc/67/47/07/647674707.db2.gz BEZHSBIUKOZKOJ-SMDDNHRTSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OC)c(F)c2)[C@@H]1C ZINC000993454495 647677703 /nfs/dbraw/zinc/67/77/03/647677703.db2.gz RAUQUVGVEUGHAN-XJKSGUPXSA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2nc(CC)c[nH]2)[C@H]1C ZINC000993460967 647678502 /nfs/dbraw/zinc/67/85/02/647678502.db2.gz CHGZFUVUKOBGGG-HIFRSBDPSA-N 0 3 304.438 2.060 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cncc(OC)c2C)[C@H]1C ZINC000993512634 647694091 /nfs/dbraw/zinc/69/40/91/647694091.db2.gz XGXNESJVPBZMRX-ZBFHGGJFSA-N 0 3 315.417 2.005 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)n2cccn2)c1 ZINC000819943356 647746146 /nfs/dbraw/zinc/74/61/46/647746146.db2.gz DQAJXUFGIRHWFT-UKRRQHHQSA-N 0 3 310.357 2.490 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1C ZINC000993857766 647751905 /nfs/dbraw/zinc/75/19/05/647751905.db2.gz QVSRMWYTPSPEFT-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(CC)cn2)[C@@H]1C ZINC000993851060 647755992 /nfs/dbraw/zinc/75/59/92/647755992.db2.gz XBRJPVMRCVNJCA-WMLDXEAASA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2c(C)noc2Cl)[C@@H]1C ZINC000993993987 647775195 /nfs/dbraw/zinc/77/51/95/647775195.db2.gz OSGMHJXBZFMCBH-GXTWGEPZSA-N 0 3 323.824 2.171 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(C(F)F)c2)[C@H]1C ZINC000994115409 647793576 /nfs/dbraw/zinc/79/35/76/647793576.db2.gz RPMFNBJFSHFIFK-YPMHNXCESA-N 0 3 312.364 2.437 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(C(F)F)c2)[C@@H]1C ZINC000994115395 647793811 /nfs/dbraw/zinc/79/38/11/647793811.db2.gz RPMFNBJFSHFIFK-AAEUAGOBSA-N 0 3 312.364 2.437 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H]1C ZINC000994208442 647805780 /nfs/dbraw/zinc/80/57/80/647805780.db2.gz IDGJPVIYJFTJQA-DOTOQJQBSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H]1C ZINC000994201149 647809109 /nfs/dbraw/zinc/80/91/09/647809109.db2.gz HXYZCVUJLNUCFW-DZGCQCFKSA-N 0 3 316.449 2.313 20 30 DEEDHN C#C[C@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1ccc(F)cc1 ZINC000820464111 647849747 /nfs/dbraw/zinc/84/97/47/647849747.db2.gz LPPHCKIJLAVZEN-HOTGVXAUSA-N 0 3 303.381 2.236 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nn(C)c3ccccc32)[C@H]1C ZINC000994270269 647890023 /nfs/dbraw/zinc/89/00/23/647890023.db2.gz FNWHVMJTHOYUSK-GDBMZVCRSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3nccnc3c2)[C@H]1C ZINC000994361923 647916834 /nfs/dbraw/zinc/91/68/34/647916834.db2.gz HQECHGYJAFWBQS-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN Cc1cc(C)n(CCC(=O)C(C#N)C(=O)NC2CCCCC2)n1 ZINC000916893555 647937882 /nfs/dbraw/zinc/93/78/82/647937882.db2.gz CVZWXDGGLAJQLM-OAHLLOKOSA-N 0 3 316.405 2.048 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc(C(C)=O)c2)CC1 ZINC000917137645 647974548 /nfs/dbraw/zinc/97/45/48/647974548.db2.gz UDOOIIRFNGMYQN-UHFFFAOYSA-N 0 3 315.417 2.339 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC1CCCC1)CCO2 ZINC000949011948 647978791 /nfs/dbraw/zinc/97/87/91/647978791.db2.gz TYKPYKFGLJBOPX-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN CCN(C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCN(C)C1 ZINC000821860939 648124350 /nfs/dbraw/zinc/12/43/50/648124350.db2.gz KERIATHOMWSQGC-CYBMUJFWSA-N 0 3 320.368 2.286 20 30 DEEDHN C#CCN(C(=O)N[C@H](CC)c1ccncc1)C1CCN(C)CC1 ZINC000920166429 648210794 /nfs/dbraw/zinc/21/07/94/648210794.db2.gz OOBLNIGZGJQLSL-QGZVFWFLSA-N 0 3 314.433 2.272 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000822815153 648294748 /nfs/dbraw/zinc/29/47/48/648294748.db2.gz YKVFUSYJMGPLOO-KRWDZBQOSA-N 0 3 316.445 2.048 20 30 DEEDHN C=CCONC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000824578360 648615796 /nfs/dbraw/zinc/61/57/96/648615796.db2.gz MZBCMTBDCPMRED-JKSUJKDBSA-N 0 3 301.390 2.020 20 30 DEEDHN COC1CCN(C(C)(C)CNC(=O)C#Cc2cccs2)CC1 ZINC000825764759 648810274 /nfs/dbraw/zinc/81/02/74/648810274.db2.gz NCIOLTFENZGLDK-UHFFFAOYSA-N 0 3 320.458 2.105 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cncc(F)c2)CC1 ZINC000948277027 648941378 /nfs/dbraw/zinc/94/13/78/648941378.db2.gz DIMLEXIZSXBLIF-INIZCTEOSA-N 0 3 303.381 2.171 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)C(C)(C)C1 ZINC000940781260 648944412 /nfs/dbraw/zinc/94/44/12/648944412.db2.gz YQXAVDZSOBRTCE-HNNXBMFYSA-N 0 3 316.449 2.236 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnn2CCC)C(C)(C)C1 ZINC000940782673 648945032 /nfs/dbraw/zinc/94/50/32/648945032.db2.gz NTQRWFZYAGIURO-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncc(OC)cc2F)C(C)(C)C1 ZINC000940790948 648947346 /nfs/dbraw/zinc/94/73/46/648947346.db2.gz KFSIVUXHLODHET-AWEZNQCLSA-N 0 3 321.396 2.246 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC000941141419 649007305 /nfs/dbraw/zinc/00/73/05/649007305.db2.gz FLOSRZGUXCWFDP-INIZCTEOSA-N 0 3 317.433 2.090 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3nccn3c2)C(C)(C)C1 ZINC000941151499 649009490 /nfs/dbraw/zinc/00/94/90/649009490.db2.gz NXBVFOPVVAWOEH-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)n(C)nc2Cl)C(C)(C)C1 ZINC000941187431 649019093 /nfs/dbraw/zinc/01/90/93/649019093.db2.gz XAAOEBFCCXKPFG-LBPRGKRZSA-N 0 3 324.856 2.398 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c(C)noc2C)C(C)(C)C1 ZINC000941215135 649021738 /nfs/dbraw/zinc/02/17/38/649021738.db2.gz MHSNFOGQXJGEHE-INIZCTEOSA-N 0 3 317.433 2.074 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncc3n2CCCC3)C(C)(C)C1 ZINC000941231546 649022524 /nfs/dbraw/zinc/02/25/24/649022524.db2.gz SYTCAVMQPTYRPV-OAHLLOKOSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCOCC2)C(C)(C)C1 ZINC000941258053 649030275 /nfs/dbraw/zinc/03/02/75/649030275.db2.gz IMEBYKBNDAMZPX-ZBFHGGJFSA-N 0 3 308.466 2.452 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)C2CCOCC2)C(C)(C)C1 ZINC000941258049 649030657 /nfs/dbraw/zinc/03/06/57/649030657.db2.gz IMEBYKBNDAMZPX-GDBMZVCRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CN(CCCC)C2)CC1 ZINC000941551074 649057222 /nfs/dbraw/zinc/05/72/22/649057222.db2.gz WQLCCHRHRAKCSW-SFHVURJKSA-N 0 3 307.482 2.217 20 30 DEEDHN CCC(=O)N[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000941693234 649071142 /nfs/dbraw/zinc/07/11/42/649071142.db2.gz SKUYUVOXJDMCLL-RHSMWYFYSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)c1cocn1 ZINC000941884548 649111508 /nfs/dbraw/zinc/11/15/08/649111508.db2.gz HLPLHPOXVQASCC-BBRMVZONSA-N 0 3 324.384 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)noc2CCC)[C@H](C)C1 ZINC000942047521 649141812 /nfs/dbraw/zinc/14/18/12/649141812.db2.gz ZDNDNGNPJBVFMV-UKRRQHHQSA-N 0 3 317.433 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](C)C1 ZINC000942052321 649143173 /nfs/dbraw/zinc/14/31/73/649143173.db2.gz FDDLNOKHDYRITF-XJKSGUPXSA-N 0 3 302.422 2.234 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc3cccnc3n2)[C@H](C)C1 ZINC000942064916 649144576 /nfs/dbraw/zinc/14/45/76/649144576.db2.gz XWOUHLAFNJCQCP-ZBFHGGJFSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@H](C)C1 ZINC000942090626 649153877 /nfs/dbraw/zinc/15/38/77/649153877.db2.gz BVWIMVKDVVLWNO-DGCLKSJQSA-N 0 3 324.375 2.050 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnc(-c3ccco3)c2)[C@@H](C)C1 ZINC000942164994 649172618 /nfs/dbraw/zinc/17/26/18/649172618.db2.gz WQOBHNRFGJLTPL-HOCLYGCPSA-N 0 3 323.396 2.415 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(COC)c2)[C@@H](C)C1 ZINC000942313570 649202429 /nfs/dbraw/zinc/20/24/29/649202429.db2.gz JPWDCGNARGEAGS-MAUKXSAKSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)[C@H](C)C1 ZINC000942547577 649242437 /nfs/dbraw/zinc/24/24/37/649242437.db2.gz MTRDTPPNAJAYED-RHSMWYFYSA-N 0 3 310.397 2.435 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2c(F)cccc2F)[C@H](C)C1 ZINC000942581565 649253058 /nfs/dbraw/zinc/25/30/58/649253058.db2.gz JFSPRGOGJYDKPO-CXAGYDPISA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCN1CC[C@H](CN(Cc2cccnc2)C(=O)C2=CCCC2)C1 ZINC000995269586 649277574 /nfs/dbraw/zinc/27/75/74/649277574.db2.gz YLPOUBXEJGWSIT-SFHVURJKSA-N 0 3 323.440 2.476 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2Cc3ccccc3C2)[C@@H](C)C1 ZINC000942958412 649306481 /nfs/dbraw/zinc/30/64/81/649306481.db2.gz FMDIYRDGRGNCHJ-HNAYVOBHSA-N 0 3 310.441 2.251 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000829788847 649356205 /nfs/dbraw/zinc/35/62/05/649356205.db2.gz IAANRTQZBRYIBD-RCCFBDPRSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2cccc(COC)c2)C1 ZINC000829788690 649356226 /nfs/dbraw/zinc/35/62/26/649356226.db2.gz DMXKVNYSETWCFG-INIZCTEOSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2csc(C3CC3)n2)[C@@H](C)C1 ZINC000943333927 649368094 /nfs/dbraw/zinc/36/80/94/649368094.db2.gz LBCHIRKLVQDLLY-WFASDCNBSA-N 0 3 317.458 2.023 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3nccnc32)[C@@H](C)C1 ZINC000943762383 649424139 /nfs/dbraw/zinc/42/41/39/649424139.db2.gz XWMBWMGQKDCKOS-GOEBONIOSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CC=C)C[C@@H]1C ZINC000944061554 649478407 /nfs/dbraw/zinc/47/84/07/649478407.db2.gz FWFGLTLUWKUSSY-LSDHHAIUSA-N 0 3 315.417 2.273 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000944242264 649501951 /nfs/dbraw/zinc/50/19/51/649501951.db2.gz SOPSAQSYZWRFQU-WMLDXEAASA-N 0 3 309.413 2.170 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(OC)cccc2OC)[C@H](C)C1 ZINC000944319685 649511440 /nfs/dbraw/zinc/51/14/40/649511440.db2.gz YNKFMMMJWGEFAS-ZIAGYGMSSA-N 0 3 318.417 2.330 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)n(C)nc2Cl)[C@@H](C)C1 ZINC000944489582 649527409 /nfs/dbraw/zinc/52/74/09/649527409.db2.gz AYOIMFSUWAGBLI-CMPLNLGQSA-N 0 3 310.829 2.008 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OCC)cc2)[C@@H](C)C1 ZINC000944531935 649530530 /nfs/dbraw/zinc/53/05/30/649530530.db2.gz KQLLQRHKPXMZIM-YOEHRIQHSA-N 0 3 300.402 2.159 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](C)C1 ZINC000944552917 649533150 /nfs/dbraw/zinc/53/31/50/649533150.db2.gz JOGGUYHDASZVSF-WMLDXEAASA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(OCC)cc2)[C@H](C)C1 ZINC000944699085 649552109 /nfs/dbraw/zinc/55/21/09/649552109.db2.gz GWMWRUOOBWMIAD-CRAIPNDOSA-N 0 3 314.429 2.088 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)noc2CC)[C@H](C)C1 ZINC000944890728 649581060 /nfs/dbraw/zinc/58/10/60/649581060.db2.gz NVLNYBVBUQPTPG-OCCSQVGLSA-N 0 3 303.406 2.009 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cn2CC)[C@H](C)C1 ZINC000944993114 649596685 /nfs/dbraw/zinc/59/66/85/649596685.db2.gz CWHNIOCMFGAUDV-TZMCWYRMSA-N 0 3 307.825 2.235 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)[C@H](C)C1 ZINC000945005125 649597651 /nfs/dbraw/zinc/59/76/51/649597651.db2.gz AMRWHAGOKJMAPN-SJLPKXTDSA-N 0 3 323.440 2.491 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H](C)C1 ZINC000945182802 649624989 /nfs/dbraw/zinc/62/49/89/649624989.db2.gz QHEZSDZBODLZAK-CJNGLKHVSA-N 0 3 304.459 2.449 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000945185354 649626282 /nfs/dbraw/zinc/62/62/82/649626282.db2.gz ZTYYQQFAMQUCFM-AEFFLSMTSA-N 0 3 310.441 2.486 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000831679336 649627943 /nfs/dbraw/zinc/62/79/43/649627943.db2.gz VKHDHXCFVBNJCD-IKGGRYGDSA-N 0 3 300.402 2.424 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ncc(C2(O)CCCCC2)s1 ZINC000831988335 649666834 /nfs/dbraw/zinc/66/68/34/649666834.db2.gz PBSPUQIQIFIIBS-NSHDSACASA-N 0 3 322.434 2.254 20 30 DEEDHN C#CCNC(=O)CCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000844364840 651118031 /nfs/dbraw/zinc/11/80/31/651118031.db2.gz YCXPXBPDIJHIDM-UHFFFAOYSA-N 0 3 308.381 2.444 20 30 DEEDHN COC(=O)Cc1ccc(N=NC2CN(C3CC3)C[C@@H]2C)cc1 ZINC000844605490 651147643 /nfs/dbraw/zinc/14/76/43/651147643.db2.gz GLQCFZPGCDXAAW-LBPRGKRZSA-N 0 3 301.390 2.284 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121582323 651275169 /nfs/dbraw/zinc/27/51/69/651275169.db2.gz XKMBTIYRYSPRFC-NEPJUHHUSA-N 0 3 308.403 2.103 20 30 DEEDHN CNC(=O)c1cc(Cl)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000848394841 651455979 /nfs/dbraw/zinc/45/59/79/651455979.db2.gz BJYSWOXWAHFSPI-GFCCVEGCSA-N 0 3 322.796 2.049 20 30 DEEDHN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000848403387 651456695 /nfs/dbraw/zinc/45/66/95/651456695.db2.gz RUEJNKGHHGUNDU-VNQPRFMTSA-N 0 3 303.406 2.026 20 30 DEEDHN CCN(C)c1ccccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000848415608 651457187 /nfs/dbraw/zinc/45/71/87/651457187.db2.gz VUFXFOSPNZVWOG-HNNXBMFYSA-N 0 3 302.422 2.170 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000848425869 651458298 /nfs/dbraw/zinc/45/82/98/651458298.db2.gz DRPXWBPWEKHYBY-MRXNPFEDSA-N 0 3 315.417 2.298 20 30 DEEDHN N#Cc1c(NC[C@@H]2CN3CCC[C@H]3CO2)cccc1-n1cccn1 ZINC000848659698 651484973 /nfs/dbraw/zinc/48/49/73/651484973.db2.gz PVVWGTSICYJRMO-LSDHHAIUSA-N 0 3 323.400 2.019 20 30 DEEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849587933 651687350 /nfs/dbraw/zinc/68/73/50/651687350.db2.gz JSEFKUDJWHXRKC-BRWVUGGUSA-N 0 3 316.449 2.023 20 30 DEEDHN N#CC1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000850760234 651982308 /nfs/dbraw/zinc/98/23/08/651982308.db2.gz XDKKBQRKVLLIGH-MRXNPFEDSA-N 0 3 314.389 2.115 20 30 DEEDHN C[C@H](C#N)OCCN1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856814379 651991709 /nfs/dbraw/zinc/99/17/09/651991709.db2.gz CONWKDOLCGSZND-CKEIUWERSA-N 0 3 323.437 2.294 20 30 DEEDHN CC[C@@H](CO)N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000857328501 652106148 /nfs/dbraw/zinc/10/61/48/652106148.db2.gz BPYBYZFRKYZKQZ-HOTGVXAUSA-N 0 3 317.433 2.299 20 30 DEEDHN C#CCOCCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000851777557 652235608 /nfs/dbraw/zinc/23/56/08/652235608.db2.gz VZWZOLYIHFIOTN-AWEZNQCLSA-N 0 3 301.308 2.152 20 30 DEEDHN C#CC[C@@H](CCOC)NCc1cc(OC)c(OC)cc1OC ZINC000858331598 652309133 /nfs/dbraw/zinc/30/91/33/652309133.db2.gz FXGUTHWKYOBIAX-AWEZNQCLSA-N 0 3 307.390 2.230 20 30 DEEDHN C=C(Cl)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000852172766 652357448 /nfs/dbraw/zinc/35/74/48/652357448.db2.gz AGSDEBRDAZYHRV-UHFFFAOYSA-N 0 3 304.818 2.091 20 30 DEEDHN C#CCOCCN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000852176481 652357905 /nfs/dbraw/zinc/35/79/05/652357905.db2.gz DKPUEEIHQBXPMJ-KRWDZBQOSA-N 0 3 308.422 2.112 20 30 DEEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc2c(c1)CCCO2 ZINC000852781516 652455846 /nfs/dbraw/zinc/45/58/46/652455846.db2.gz FFKXQVCVFUGKMM-KGLIPLIRSA-N 0 3 315.417 2.423 20 30 DEEDHN CCN1CCCN(c2cc(Br)cnc2C#N)CC1 ZINC000853301241 652534905 /nfs/dbraw/zinc/53/49/05/652534905.db2.gz WBGVXZBCTVPUQL-UHFFFAOYSA-N 0 3 309.211 2.248 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000853692131 652590464 /nfs/dbraw/zinc/59/04/64/652590464.db2.gz PUGLLFFDBHQHCK-IAGOWNOFSA-N 0 3 315.417 2.114 20 30 DEEDHN COCC(C)(C)CC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001390454004 1155728305 /nfs/dbraw/zinc/72/83/05/1155728305.db2.gz KAVVAPQQOXLHGH-GFCCVEGCSA-N 0 3 323.462 2.277 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1C(=O)CN(C)CCC ZINC001356371210 1152077117 /nfs/dbraw/zinc/07/71/17/1152077117.db2.gz UYLCYRWYEINPLR-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001394373605 1158441702 /nfs/dbraw/zinc/44/17/02/1158441702.db2.gz LEZKXVDKRLRANY-BPNCWPANSA-N 0 3 324.856 2.367 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000089858874 684027639 /nfs/dbraw/zinc/02/76/39/684027639.db2.gz RQAOGRQFCGTPEO-UHFFFAOYSA-N 0 3 317.433 2.178 20 30 DEEDHN Cc1ccc([N+](=O)[O-])cc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126306163 684153029 /nfs/dbraw/zinc/15/30/29/684153029.db2.gz GJMZELLDCFIQTF-CYBMUJFWSA-N 0 3 324.296 2.259 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](C)COCC2CCCCC2)CC1 ZINC000928710563 693832072 /nfs/dbraw/zinc/83/20/72/693832072.db2.gz PLIURXFNDWXNCX-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC001054101559 693845228 /nfs/dbraw/zinc/84/52/28/693845228.db2.gz AABJOELUXKOHQS-GXTWGEPZSA-N 0 3 317.355 2.413 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CCCN(C(=O)C(=O)C(C)(C)C)C2 ZINC001054103386 693846079 /nfs/dbraw/zinc/84/60/79/693846079.db2.gz DAZUIXHKLVNFET-SFHVURJKSA-N 0 3 306.450 2.492 20 30 DEEDHN COCCO[C@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000188814848 684364120 /nfs/dbraw/zinc/36/41/20/684364120.db2.gz BAUYLYPRJOJRJP-YOEHRIQHSA-N 0 3 304.390 2.215 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnccc1C)C2 ZINC001054108939 693847679 /nfs/dbraw/zinc/84/76/79/693847679.db2.gz XMUVFZYSTBLHOI-LJQANCHMSA-N 0 3 311.429 2.341 20 30 DEEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000189344395 684378562 /nfs/dbraw/zinc/37/85/62/684378562.db2.gz TWICYKBUYXRPMN-UHFFFAOYSA-N 0 3 317.433 2.182 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)n1cccc1)C2 ZINC001054118515 693851511 /nfs/dbraw/zinc/85/15/11/693851511.db2.gz JXKFOCSMGNQKIU-PKOBYXMFSA-N 0 3 313.445 2.387 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCc1ccoc1)C2 ZINC001054114135 693849958 /nfs/dbraw/zinc/84/99/58/693849958.db2.gz VXLFEIXSQZEFSZ-SFHVURJKSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(CC)ccn1)C2 ZINC001054135857 693859269 /nfs/dbraw/zinc/85/92/69/693859269.db2.gz KROXNRHVUKRAJK-IBGZPJMESA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(CC)o1)C2 ZINC001054152458 693864483 /nfs/dbraw/zinc/86/44/83/693864483.db2.gz CCHAHGQUEXFKLY-SFHVURJKSA-N 0 3 300.402 2.403 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(C)cc1)C2 ZINC001054160707 693866833 /nfs/dbraw/zinc/86/68/33/693866833.db2.gz MCLYIWWWFPEQAF-HXUWFJFHSA-N 0 3 310.441 2.485 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccn(C)c1C)C2 ZINC001054192914 693876715 /nfs/dbraw/zinc/87/67/15/693876715.db2.gz LCANPLFKQBLBDA-IBGZPJMESA-N 0 3 313.445 2.285 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1nccc3[nH]ccc31)C2 ZINC001054200527 693880312 /nfs/dbraw/zinc/88/03/12/693880312.db2.gz YRTYJQYCMJTUBM-IBGZPJMESA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C(C)C)no1)C2 ZINC001054208006 693882254 /nfs/dbraw/zinc/88/22/54/693882254.db2.gz CVOVPISEZHFERY-SFHVURJKSA-N 0 3 315.417 2.359 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2 ZINC001054211631 693883370 /nfs/dbraw/zinc/88/33/70/693883370.db2.gz UGXKBNDNXGUCBA-SCTDSRPQSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)Cc1ccco1)C2 ZINC001054213414 693884724 /nfs/dbraw/zinc/88/47/24/693884724.db2.gz ZRJHDQBLFVCHSK-APWZRJJASA-N 0 3 314.429 2.406 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1coc(CCC)n1)C2 ZINC001054226974 693889599 /nfs/dbraw/zinc/88/95/99/693889599.db2.gz GVBVXFJYRSFDCL-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(CC)on1)C2 ZINC001054229481 693892131 /nfs/dbraw/zinc/89/21/31/693892131.db2.gz VUTAIUSNNFGFHA-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN CCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001054326490 693932579 /nfs/dbraw/zinc/93/25/79/693932579.db2.gz OZHPBZGCPHBJGV-CZUORRHYSA-N 0 3 315.417 2.303 20 30 DEEDHN CCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001054326745 693932959 /nfs/dbraw/zinc/93/29/59/693932959.db2.gz RNAHZZWZAWKYNP-BLLLJJGKSA-N 0 3 303.381 2.434 20 30 DEEDHN COc1cccc([C@H](O)C2CCN(CCOCCC#N)CC2)c1 ZINC000860133451 685889446 /nfs/dbraw/zinc/88/94/46/685889446.db2.gz GEIUBDQNGKHLSZ-GOSISDBHSA-N 0 3 318.417 2.371 20 30 DEEDHN N#Cc1ccc(OC2CCN(CCO[C@@H]3CCOC3)CC2)cc1 ZINC000929517860 693971639 /nfs/dbraw/zinc/97/16/39/693971639.db2.gz VBYCGLIHVNPREC-GOSISDBHSA-N 0 3 316.401 2.207 20 30 DEEDHN N#CC(C(=O)CCc1ccc(Cl)c(F)c1)C(=O)NC1CC1 ZINC000860473667 685931473 /nfs/dbraw/zinc/93/14/73/685931473.db2.gz PKUNIVWODBIDMJ-NSHDSACASA-N 0 3 308.740 2.399 20 30 DEEDHN C=CCC1(C(=O)OC[C@]2(C)C[C@@H](OC)CN2C)CCOCC1 ZINC000861356664 686061153 /nfs/dbraw/zinc/06/11/53/686061153.db2.gz NNIFGCXGQQXNOG-ZBFHGGJFSA-N 0 3 311.422 2.012 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000861838282 686191190 /nfs/dbraw/zinc/19/11/90/686191190.db2.gz XSOJDATZAPMMPH-DLBZAZTESA-N 0 3 302.393 2.391 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001054633668 694009839 /nfs/dbraw/zinc/00/98/39/694009839.db2.gz AMLWKJOYPIVAOY-YVEFUNNKSA-N 0 3 318.367 2.315 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1NCc1ccc(C#N)s1 ZINC001054676903 694022557 /nfs/dbraw/zinc/02/25/57/694022557.db2.gz HWBDSKPWNCVNBF-IAQYHMDHSA-N 0 3 314.414 2.198 20 30 DEEDHN Cc1ccc([C@@H](CNC(=O)[C@]2(C#N)CCCOC2)N(C)C)cc1 ZINC000865030012 686918685 /nfs/dbraw/zinc/91/86/85/686918685.db2.gz XLQWPAYFIRLMNP-AEFFLSMTSA-N 0 3 315.417 2.034 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2n[nH]c(C(C)C)n2)[C@@H](C)C1 ZINC001054975584 694086370 /nfs/dbraw/zinc/08/63/70/694086370.db2.gz DONLEOBLDYFDJK-STQMWFEESA-N 0 3 319.453 2.077 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cncc(F)c2)C1 ZINC001054976079 694086731 /nfs/dbraw/zinc/08/67/31/694086731.db2.gz INZHUKKQRQCUGI-SWLSCSKDSA-N 0 3 305.397 2.369 20 30 DEEDHN C#C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000865530827 687248478 /nfs/dbraw/zinc/24/84/78/687248478.db2.gz BYCYXWUTHANTSV-QLFBSQMISA-N 0 3 308.422 2.156 20 30 DEEDHN C#C[C@@H](NCC12CC(C1)CN2C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000865531641 687249060 /nfs/dbraw/zinc/24/90/60/687249060.db2.gz KWCRVIUMMZUUDW-DGSCNEQVSA-N 0 3 320.433 2.156 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001015786688 687421597 /nfs/dbraw/zinc/42/15/97/687421597.db2.gz NFUZRMSZKIABCF-MRXNPFEDSA-N 0 3 300.377 2.071 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001015793388 687423747 /nfs/dbraw/zinc/42/37/47/687423747.db2.gz AJMPFFNZQZEZFA-ZDUSSCGKSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001015817644 687432265 /nfs/dbraw/zinc/43/22/65/687432265.db2.gz MRQABQBKSAYQGH-RYQLBKOJSA-N 0 3 312.413 2.013 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001015974314 687487636 /nfs/dbraw/zinc/48/76/36/687487636.db2.gz DPZZOJIMKNDHSI-INIZCTEOSA-N 0 3 318.465 2.390 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2cc3c(s2)CCOC3)C1 ZINC001016022760 687502577 /nfs/dbraw/zinc/50/25/77/687502577.db2.gz GANWOXDGASBNLT-ZDUSSCGKSA-N 0 3 306.431 2.201 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001016062006 687514899 /nfs/dbraw/zinc/51/48/99/687514899.db2.gz AQQULAKWJVAZRW-CVEARBPZSA-N 0 3 306.450 2.492 20 30 DEEDHN N#Cc1ccccc1N1CCC(N[C@@H]2CCn3ccnc32)CC1 ZINC000866448716 687576930 /nfs/dbraw/zinc/57/69/30/687576930.db2.gz KGVXRMADCWXWEV-MRXNPFEDSA-N 0 3 307.401 2.458 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001016309507 687586834 /nfs/dbraw/zinc/58/68/34/687586834.db2.gz VHWRDXBBTLKSHM-OCCSQVGLSA-N 0 3 306.356 2.282 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(OCC=C)cc2)C1 ZINC001016358195 687600838 /nfs/dbraw/zinc/60/08/38/687600838.db2.gz YQHWUZLHBHUSAZ-QGZVFWFLSA-N 0 3 312.413 2.008 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000866540553 687605126 /nfs/dbraw/zinc/60/51/26/687605126.db2.gz QMOXAZVQARBISA-APPDUMDISA-N 0 3 308.385 2.252 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(OC(C)C)cn2)C1 ZINC001016427262 687619362 /nfs/dbraw/zinc/61/93/62/687619362.db2.gz PAUPRIDDAQRUJQ-CQSZACIVSA-N 0 3 303.406 2.249 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CC23CCN(C/C=C\Cl)CC3)c1 ZINC001016561593 687652756 /nfs/dbraw/zinc/65/27/56/687652756.db2.gz GUMSZXUJYGAOFN-YZUOEBHYSA-N 0 3 318.808 2.223 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001016628714 687668195 /nfs/dbraw/zinc/66/81/95/687668195.db2.gz CTWSNSXBRMARKX-ULQDDVLXSA-N 0 3 318.461 2.042 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001016688170 687682338 /nfs/dbraw/zinc/68/23/38/687682338.db2.gz OUXGTYAPPLYJKT-ARFHVFGLSA-N 0 3 314.454 2.456 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3c2O[C@@H](C)C3)CC1 ZINC001016732813 687692023 /nfs/dbraw/zinc/69/20/23/687692023.db2.gz CRBIAQZKMXTPBI-YOEHRIQHSA-N 0 3 324.424 2.228 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ncc(Cl)s2)CC1 ZINC001016730800 687692106 /nfs/dbraw/zinc/69/21/06/687692106.db2.gz MHSCMCJPGKJVQY-LLVKDONJSA-N 0 3 323.849 2.404 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3c2O[C@H](C)C3)CC1 ZINC001016732811 687692244 /nfs/dbraw/zinc/69/22/44/687692244.db2.gz CRBIAQZKMXTPBI-RHSMWYFYSA-N 0 3 324.424 2.228 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2cccc(Cl)c2)CC1 ZINC001016809317 687707407 /nfs/dbraw/zinc/70/74/07/687707407.db2.gz WYTBOSQILJLXAC-INIZCTEOSA-N 0 3 316.832 2.486 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cccc3[nH]cnc32)CC1 ZINC001016892466 687728318 /nfs/dbraw/zinc/72/83/18/687728318.db2.gz NOLIPKQZLOLEQD-INIZCTEOSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC001016953386 687741840 /nfs/dbraw/zinc/74/18/40/687741840.db2.gz NDEPRSSDANLYFP-KRWDZBQOSA-N 0 3 309.413 2.177 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cn2ccc3ccccc32)CC1 ZINC001016980314 687748258 /nfs/dbraw/zinc/74/82/58/687748258.db2.gz ZWKBVEDJXJQKFN-GOSISDBHSA-N 0 3 321.424 2.245 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)Cc2cncc(F)c2)C1 ZINC001017076135 687781536 /nfs/dbraw/zinc/78/15/36/687781536.db2.gz FFFAORNYFAIUQN-ZIAGYGMSSA-N 0 3 318.396 2.051 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1cccnc1)C1CCCC1 ZINC000868026887 687880563 /nfs/dbraw/zinc/88/05/63/687880563.db2.gz NYWFJMCFPADVIP-IAGOWNOFSA-N 0 3 314.433 2.320 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(OCC)C1 ZINC001017837109 687969213 /nfs/dbraw/zinc/96/92/13/687969213.db2.gz LTDXYVAFHQPUAZ-HPZPOOBXSA-N 0 3 306.450 2.443 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)CC3CC3)C2)ccc1F ZINC001018399269 688124821 /nfs/dbraw/zinc/12/48/21/688124821.db2.gz IQVQKPHNFYFJGT-HNNXBMFYSA-N 0 3 301.365 2.188 20 30 DEEDHN CC(F)(F)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018406068 688126437 /nfs/dbraw/zinc/12/64/37/688126437.db2.gz DEGBEPSILOWHMJ-LBPRGKRZSA-N 0 3 311.307 2.043 20 30 DEEDHN C/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018695532 688209964 /nfs/dbraw/zinc/20/99/64/688209964.db2.gz KTRACYUWOXGAAF-COHQTCMYSA-N 0 3 301.365 2.354 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2ncccc2C)C1 ZINC001020055368 688453158 /nfs/dbraw/zinc/45/31/58/688453158.db2.gz NJSMOVSUSUQHBS-HAQNSBGRSA-N 0 3 324.222 2.149 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001020224834 688487625 /nfs/dbraw/zinc/48/76/25/688487625.db2.gz HYCYIIKQQYQRGG-SYQHCUMBSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001020230458 688488448 /nfs/dbraw/zinc/48/84/48/688488448.db2.gz SRZFBYDDBLBVFT-KYZUINATSA-N 0 3 317.220 2.228 20 30 DEEDHN C[C@H]1C(N=Nc2ncnc3c2cnn3-c2ccccc2)CCN1C ZINC000872342103 688985233 /nfs/dbraw/zinc/98/52/33/688985233.db2.gz MXYVPHFYFYGAHJ-LBPRGKRZSA-N 0 3 321.388 2.307 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC001031810400 689001308 /nfs/dbraw/zinc/00/13/08/689001308.db2.gz GFBXGRNAXULFOF-UHFFFAOYSA-N 0 3 310.401 2.110 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCC1CN(CC[C@H](C)F)C1 ZINC001032115337 689065784 /nfs/dbraw/zinc/06/57/84/689065784.db2.gz VYFFQHPDZLOUPF-ZDUSSCGKSA-N 0 3 321.396 2.056 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001032134646 689068721 /nfs/dbraw/zinc/06/87/21/689068721.db2.gz KIUVOWKGWZLLRG-UHFFFAOYSA-N 0 3 313.445 2.200 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CN([C@H](C)c3ccccc3)C2)nc1 ZINC001032136689 689069181 /nfs/dbraw/zinc/06/91/81/689069181.db2.gz FCFVUSJYAVRMPQ-OAHLLOKOSA-N 0 3 319.408 2.486 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001032169864 689076772 /nfs/dbraw/zinc/07/67/72/689076772.db2.gz FRJAAEXSPZDICI-UHFFFAOYSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(F)F ZINC001032423294 689147291 /nfs/dbraw/zinc/14/72/91/689147291.db2.gz FZEPAIYHAIUDET-RYUDHWBXSA-N 0 3 310.348 2.143 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(C)sc1C ZINC001032476665 689161521 /nfs/dbraw/zinc/16/15/21/689161521.db2.gz RPKDNAKJKDQBMD-KBPBESRZSA-N 0 3 305.447 2.164 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ncn(C)c21 ZINC001032486874 689164667 /nfs/dbraw/zinc/16/46/67/689164667.db2.gz YCOZEODUHQFTID-GJZGRUSLSA-N 0 3 324.428 2.438 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCOC1 ZINC001032557797 689185846 /nfs/dbraw/zinc/18/58/46/689185846.db2.gz SONXYIYUXGVSRO-PMPSAXMXSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2ccnc2)c1 ZINC001032712411 689233394 /nfs/dbraw/zinc/23/33/94/689233394.db2.gz YHXDYIVECXGTPE-ROUUACIJSA-N 0 3 322.412 2.347 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccccc21 ZINC001032761624 689251193 /nfs/dbraw/zinc/25/11/93/689251193.db2.gz BTEFVSYCGDOECA-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1OC ZINC001032769392 689254016 /nfs/dbraw/zinc/25/40/16/689254016.db2.gz ICTBAWKVBDYAFK-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(C)c1 ZINC001032779445 689258257 /nfs/dbraw/zinc/25/82/57/689258257.db2.gz MDPCYSYZFKFIIH-HOTGVXAUSA-N 0 3 300.402 2.235 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3CCC)cc1 ZINC001032806274 689266939 /nfs/dbraw/zinc/26/69/39/689266939.db2.gz JLGSEXNLZYAISP-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001033166368 689410633 /nfs/dbraw/zinc/41/06/33/689410633.db2.gz SQKOGZIJXHQDAP-MRXNPFEDSA-N 0 3 324.428 2.121 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001033185604 689416445 /nfs/dbraw/zinc/41/64/45/689416445.db2.gz HFZHVGWFDYSGLW-HNNXBMFYSA-N 0 3 311.385 2.306 20 30 DEEDHN C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(CCOC)C1 ZINC001033204064 689424481 /nfs/dbraw/zinc/42/44/81/689424481.db2.gz PAGYYEDEFJXPOD-HNNXBMFYSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2OC)C1 ZINC001033236662 689434763 /nfs/dbraw/zinc/43/47/63/689434763.db2.gz BKEJFUQHZFONME-INIZCTEOSA-N 0 3 302.418 2.265 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001033252273 689439170 /nfs/dbraw/zinc/43/91/70/689439170.db2.gz DDKOKJATAGYJCL-QGZVFWFLSA-N 0 3 314.429 2.102 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3c2CCOC3)C1 ZINC001033256511 689440710 /nfs/dbraw/zinc/44/07/10/689440710.db2.gz WJFDPPYZAONIPH-INIZCTEOSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001033318611 689460863 /nfs/dbraw/zinc/46/08/63/689460863.db2.gz SFWLEGFCAXINOL-SJLPKXTDSA-N 0 3 314.429 2.409 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001033359903 689475878 /nfs/dbraw/zinc/47/58/78/689475878.db2.gz CJMBPVURGQBLJE-CQSZACIVSA-N 0 3 303.406 2.123 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2noc3c2CCCCC3)C1 ZINC001033465369 689510031 /nfs/dbraw/zinc/51/00/31/689510031.db2.gz INLRCJCTKBWUSE-AWEZNQCLSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001033474274 689514269 /nfs/dbraw/zinc/51/42/69/689514269.db2.gz LULMAWPUZTYNQU-INIZCTEOSA-N 0 3 316.449 2.414 20 30 DEEDHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874843152 689515081 /nfs/dbraw/zinc/51/50/81/689515081.db2.gz MUIAFMQEOUUXOA-CWRNSKLLSA-N 0 3 313.401 2.021 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCOc3ccccc32)C1 ZINC001033510329 689525632 /nfs/dbraw/zinc/52/56/32/689525632.db2.gz VAOKYXJFRMPRCH-WBVHZDCISA-N 0 3 312.413 2.109 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001033603023 689556775 /nfs/dbraw/zinc/55/67/75/689556775.db2.gz IYPYERYLKOEWKU-GJZGRUSLSA-N 0 3 320.458 2.471 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001033621649 689562886 /nfs/dbraw/zinc/56/28/86/689562886.db2.gz BUUIPXDGZZQODF-RDJZCZTQSA-N 0 3 300.402 2.367 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001033626467 689564598 /nfs/dbraw/zinc/56/45/98/689564598.db2.gz RHPKYTWAZLHTDG-INIZCTEOSA-N 0 3 312.417 2.214 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001033658629 689575563 /nfs/dbraw/zinc/57/55/63/689575563.db2.gz HUDDTPPSWLJFIN-HNNXBMFYSA-N 0 3 316.401 2.180 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001033692290 689585432 /nfs/dbraw/zinc/58/54/32/689585432.db2.gz UTWACJUZIXGPND-NVXWUHKLSA-N 0 3 314.429 2.355 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2COc3ccccc32)C1 ZINC001033709834 689590793 /nfs/dbraw/zinc/59/07/93/689590793.db2.gz KJRPTYSCOUXUTG-GOEBONIOSA-N 0 3 300.402 2.271 20 30 DEEDHN CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033786005 689617168 /nfs/dbraw/zinc/61/71/68/689617168.db2.gz PJDIRJBGXYJLEY-OAHLLOKOSA-N 0 3 300.406 2.389 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001033825682 689628119 /nfs/dbraw/zinc/62/81/19/689628119.db2.gz HBXQMHNVZHMHDB-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CC[C@H](COC)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000875572589 689652255 /nfs/dbraw/zinc/65/22/55/689652255.db2.gz HBCCPGXWZPWBGS-USXIJHARSA-N 0 3 317.433 2.015 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001033907101 689658180 /nfs/dbraw/zinc/65/81/80/689658180.db2.gz SHQHWXNYXTVHSE-INIZCTEOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2noc3c2CCCC3)C1 ZINC001033968160 689676720 /nfs/dbraw/zinc/67/67/20/689676720.db2.gz KHRHCZDLVSVSLU-CQSZACIVSA-N 0 3 315.417 2.113 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)nn2CC)C1 ZINC001033973975 689679215 /nfs/dbraw/zinc/67/92/15/689679215.db2.gz YJEDFQAGDBLZRU-OAHLLOKOSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001034019908 689695219 /nfs/dbraw/zinc/69/52/19/689695219.db2.gz XEJOUFJKFSJJPK-HNNXBMFYSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2coc(CCC)n2)C1 ZINC001034018189 689695532 /nfs/dbraw/zinc/69/55/32/689695532.db2.gz CWNZBLJCNYBXIZ-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN CCC(=O)N[C@H]1CCCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001034058902 689709519 /nfs/dbraw/zinc/70/95/19/689709519.db2.gz VJGZKANIHUBMFE-INIZCTEOSA-N 0 3 315.417 2.470 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001034229078 689771668 /nfs/dbraw/zinc/77/16/68/689771668.db2.gz CTOXHGRAJKKYDH-MRXNPFEDSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC001034289558 689796879 /nfs/dbraw/zinc/79/68/79/689796879.db2.gz ZAKAGBZTKNPQQS-CYBMUJFWSA-N 0 3 313.405 2.070 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001034303053 689801965 /nfs/dbraw/zinc/80/19/65/689801965.db2.gz ARPXIBBNFBHVKY-MRXNPFEDSA-N 0 3 324.428 2.479 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001034317298 689807555 /nfs/dbraw/zinc/80/75/55/689807555.db2.gz LEZYFHOUDBPNGI-MRXNPFEDSA-N 0 3 317.433 2.180 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001034442722 689852051 /nfs/dbraw/zinc/85/20/51/689852051.db2.gz RJWQLSHTWAYXQZ-AWEZNQCLSA-N 0 3 303.406 2.153 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001034462575 689858943 /nfs/dbraw/zinc/85/89/43/689858943.db2.gz KDVPCRCNJNERKZ-CYBMUJFWSA-N 0 3 312.364 2.439 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001034468389 689861372 /nfs/dbraw/zinc/86/13/72/689861372.db2.gz HNRHKVSEEKMJPK-CQSZACIVSA-N 0 3 302.422 2.448 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1ccc(OC)cc1 ZINC000876616172 689877889 /nfs/dbraw/zinc/87/78/89/689877889.db2.gz UFKMWPHAQBDRJU-AWEZNQCLSA-N 0 3 312.797 2.050 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000876646075 689887465 /nfs/dbraw/zinc/88/74/65/689887465.db2.gz RSMBFVLNGXEVHK-WDEREUQCSA-N 0 3 312.801 2.230 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000876675940 689898200 /nfs/dbraw/zinc/89/82/00/689898200.db2.gz PVCMDHISVCRCNP-JSGCOSHPSA-N 0 3 308.809 2.481 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001034556750 689898622 /nfs/dbraw/zinc/89/86/22/689898622.db2.gz IHRXVUOSHXYYOP-CVEARBPZSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000876682073 689899882 /nfs/dbraw/zinc/89/98/82/689899882.db2.gz DNHFHIUTMSKPOF-VXGBXAGGSA-N 0 3 312.797 2.049 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000876700133 689907912 /nfs/dbraw/zinc/90/79/12/689907912.db2.gz RKACSYJGZWQNPO-UBHSHLNASA-N 0 3 324.808 2.123 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000876700132 689908051 /nfs/dbraw/zinc/90/80/51/689908051.db2.gz RKACSYJGZWQNPO-KWCYVHTRSA-N 0 3 324.808 2.123 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000876730143 689918328 /nfs/dbraw/zinc/91/83/28/689918328.db2.gz DIYHWIWHSHHFEP-CQSZACIVSA-N 0 3 323.824 2.240 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1nc2ccccc2n1CC ZINC000876742342 689923766 /nfs/dbraw/zinc/92/37/66/689923766.db2.gz SPRNSDPOMUYZKB-LBPRGKRZSA-N 0 3 320.824 2.185 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000876745758 689925341 /nfs/dbraw/zinc/92/53/41/689925341.db2.gz LBVFKTLDOUVJCB-WCQYABFASA-N 0 3 321.812 2.013 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000876763069 689929605 /nfs/dbraw/zinc/92/96/05/689929605.db2.gz LYVYUIRTMVZCHX-JTQLQIEISA-N 0 3 313.854 2.450 20 30 DEEDHN CC(C)(F)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034838786 689958702 /nfs/dbraw/zinc/95/87/02/689958702.db2.gz WEMKBVIKNGEKHM-LLVKDONJSA-N 0 3 309.410 2.448 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000876883130 689963564 /nfs/dbraw/zinc/96/35/64/689963564.db2.gz ZZRJQNATUXCOHE-AWEZNQCLSA-N 0 3 318.808 2.173 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000876892684 689966095 /nfs/dbraw/zinc/96/60/95/689966095.db2.gz RDBBRHNKTCNZIU-HNNXBMFYSA-N 0 3 318.808 2.173 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNCc1cnc(Cl)s1 ZINC001034886337 689978633 /nfs/dbraw/zinc/97/86/33/689978633.db2.gz JGNRGFMCSHAALW-VHSXEESVSA-N 0 3 312.826 2.037 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H]1CNCc1cnc(Cl)s1 ZINC001034886334 689978670 /nfs/dbraw/zinc/97/86/70/689978670.db2.gz JGNRGFMCSHAALW-NXEZZACHSA-N 0 3 312.826 2.037 20 30 DEEDHN C#CC1(O)CCN(CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000931154420 694329057 /nfs/dbraw/zinc/32/90/57/694329057.db2.gz VKKWANRDZPRLIC-UHFFFAOYSA-N 0 3 322.449 2.236 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1c(C)cc(C)nc1OC ZINC000876986063 689990501 /nfs/dbraw/zinc/99/05/01/689990501.db2.gz XFKVZWNTUHZDMB-ZDUSSCGKSA-N 0 3 311.813 2.135 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 ZINC000876994495 689993093 /nfs/dbraw/zinc/99/30/93/689993093.db2.gz JXADZFHAPYTOSZ-GFCCVEGCSA-N 0 3 322.840 2.129 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)OCC ZINC000877144390 690028916 /nfs/dbraw/zinc/02/89/16/690028916.db2.gz LTYGPFRSNZECQQ-KGLIPLIRSA-N 0 3 324.808 2.267 20 30 DEEDHN C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001035159446 690042961 /nfs/dbraw/zinc/04/29/61/690042961.db2.gz FGVFCXBCVICXQF-UHFFFAOYSA-N 0 3 312.413 2.344 20 30 DEEDHN C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001035159446 690042963 /nfs/dbraw/zinc/04/29/63/690042963.db2.gz FGVFCXBCVICXQF-UHFFFAOYSA-N 0 3 312.413 2.344 20 30 DEEDHN CN(CCc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CNC2 ZINC000877223951 690050275 /nfs/dbraw/zinc/05/02/75/690050275.db2.gz RHQLDTRJDOQQLC-UHFFFAOYSA-N 0 3 305.381 2.476 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC(=O)OC)c1cccc(C)c1 ZINC000877291885 690068201 /nfs/dbraw/zinc/06/82/01/690068201.db2.gz QEOGGBLBWAUIRY-ZIAGYGMSSA-N 0 3 324.808 2.185 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](CC)O1)CC2 ZINC001035719372 690160330 /nfs/dbraw/zinc/16/03/30/690160330.db2.gz UWDPQGZDVBXHHZ-CVEARBPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cnc3cc[nH]c3c1)CC2 ZINC001035731192 690162795 /nfs/dbraw/zinc/16/27/95/690162795.db2.gz JVQFUTOMADLQNF-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1n[nH]c3c1CCC3)CC2 ZINC001035740301 690164919 /nfs/dbraw/zinc/16/49/19/690164919.db2.gz ZGNNVZWHDNKOHL-UHFFFAOYSA-N 0 3 314.433 2.013 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc3[nH]ncc31)CC2 ZINC001035762109 690170462 /nfs/dbraw/zinc/17/04/62/690170462.db2.gz JBVDSSMGMTXLEX-UHFFFAOYSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)CC2 ZINC001035802258 690180293 /nfs/dbraw/zinc/18/02/93/690180293.db2.gz HRLWBCGBXWFFEM-ZWKOTPCHSA-N 0 3 323.440 2.133 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCO[C@H]1C(=C)C)CC2 ZINC001035816142 690184009 /nfs/dbraw/zinc/18/40/09/690184009.db2.gz LFXBQAIAGVXGNJ-IRXDYDNUSA-N 0 3 318.461 2.468 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(CC)n(C)n1)CC2 ZINC001035863206 690196731 /nfs/dbraw/zinc/19/67/31/690196731.db2.gz WSJDIIPNSSPXNJ-UHFFFAOYSA-N 0 3 316.449 2.097 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cc(F)ccc1C#N ZINC001035876576 690202535 /nfs/dbraw/zinc/20/25/35/690202535.db2.gz ALVDIIRAKWHNPR-SJKOYZFVSA-N 0 3 315.392 2.434 20 30 DEEDHN CSCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001035896756 690210727 /nfs/dbraw/zinc/21/07/27/690210727.db2.gz NERCTYQIMDPBNH-XJKSGUPXSA-N 0 3 317.458 2.248 20 30 DEEDHN N#Cc1cc(F)ccc1N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000877747059 690214041 /nfs/dbraw/zinc/21/40/41/690214041.db2.gz UIBOBSWKBMPVRZ-CQSZACIVSA-N 0 3 303.381 2.246 20 30 DEEDHN CCOC(=O)c1cccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000877766580 690219994 /nfs/dbraw/zinc/21/99/94/690219994.db2.gz FWWVPVMCSWZVDK-QGZVFWFLSA-N 0 3 321.380 2.387 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cnns2)[C@@H](C)C1 ZINC001036141585 690274035 /nfs/dbraw/zinc/27/40/35/690274035.db2.gz HCYZADGGMCAQLH-WCQYABFASA-N 0 3 308.451 2.077 20 30 DEEDHN C[C@@H](NCc1cscn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001036408549 690343316 /nfs/dbraw/zinc/34/33/16/690343316.db2.gz FKDPJPRUGPGJIT-UKRRQHHQSA-N 0 3 317.458 2.273 20 30 DEEDHN CC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cc(C#N)ccc1F ZINC001036488282 690365738 /nfs/dbraw/zinc/36/57/38/690365738.db2.gz VLLAQRNQYVWRQC-PXAZEXFGSA-N 0 3 303.381 2.434 20 30 DEEDHN C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNCc1ccccn1 ZINC001036549949 690382847 /nfs/dbraw/zinc/38/28/47/690382847.db2.gz MXGLVTZWRKPGFW-QAPCUYQASA-N 0 3 311.429 2.212 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4CC4)CC[C@@H]32)s1 ZINC001036613804 690401621 /nfs/dbraw/zinc/40/16/21/690401621.db2.gz MMTGDWLNUZQHAJ-CJNGLKHVSA-N 0 3 315.442 2.453 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN1C[C@@H](C)[C@H](O)[C@@H](C)C1)c1ccccc1 ZINC000878936876 690532002 /nfs/dbraw/zinc/53/20/02/690532002.db2.gz YIXUDSBMRGOABI-SFUIVIKGSA-N 0 3 314.429 2.376 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H]2COC[C@]2(C)C1)c1ccccc1 ZINC000878948762 690535772 /nfs/dbraw/zinc/53/57/72/690535772.db2.gz FTOQEIPYCIPPNT-CEXWTWQISA-N 0 3 312.413 2.395 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccccc1 ZINC000879064618 690560846 /nfs/dbraw/zinc/56/08/46/690560846.db2.gz KTXROZGYCUGFGW-JCHJZTRSSA-N 0 3 312.413 2.272 20 30 DEEDHN COc1ccc([C@@H]2CN(Cc3ccncc3C#N)CCN2)cc1 ZINC000879521066 690660098 /nfs/dbraw/zinc/66/00/98/690660098.db2.gz HGTWGNSUIGSVDT-SFHVURJKSA-N 0 3 308.385 2.108 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038248034 690756623 /nfs/dbraw/zinc/75/66/23/690756623.db2.gz XYGSCEIXDRYCNP-CQSZACIVSA-N 0 3 304.438 2.379 20 30 DEEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCN1CC1CC1 ZINC001038426871 690819131 /nfs/dbraw/zinc/81/91/31/690819131.db2.gz ACBUIHDYVXIHDQ-OAHLLOKOSA-N 0 3 300.402 2.466 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001038632176 690882110 /nfs/dbraw/zinc/88/21/10/690882110.db2.gz PLOXLUOIAPPGRU-HIFRSBDPSA-N 0 3 318.421 2.032 20 30 DEEDHN N#CC1(NC(=O)CN2CCCC[C@H](C3CCOCC3)C2)CCC1 ZINC000880576474 690932225 /nfs/dbraw/zinc/93/22/25/690932225.db2.gz CQYVOAIIOJCMEG-INIZCTEOSA-N 0 3 319.449 2.078 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000880599931 690937841 /nfs/dbraw/zinc/93/78/41/690937841.db2.gz DDWPCKSYLVMCJU-KWCYVHTRSA-N 0 3 316.323 2.039 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001039062355 691006871 /nfs/dbraw/zinc/00/68/71/691006871.db2.gz WMPNEGZFZWNKLL-AWEZNQCLSA-N 0 3 319.380 2.164 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039081900 691011482 /nfs/dbraw/zinc/01/14/82/691011482.db2.gz KIKGUQRXEAFHDZ-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN C=C(Cl)CN1CC[C@H](C2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001039113582 691023095 /nfs/dbraw/zinc/02/30/95/691023095.db2.gz RCHXRXKXRIHQDK-AWEZNQCLSA-N 0 3 322.840 2.336 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(C)no2)C1 ZINC001039194006 691047930 /nfs/dbraw/zinc/04/79/30/691047930.db2.gz SWBQZKCZNBLQJF-CVEARBPZSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cncc(F)c2)C1 ZINC001039197593 691049308 /nfs/dbraw/zinc/04/93/08/691049308.db2.gz QFROMVZJUJZKTO-RHSMWYFYSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cncc(C)c2)C1 ZINC001039209019 691054975 /nfs/dbraw/zinc/05/49/75/691054975.db2.gz HVEAMVJLLUUJAR-WMZOPIPTSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc(Cl)no2)C1 ZINC001039257113 691071088 /nfs/dbraw/zinc/07/10/88/691071088.db2.gz QCJWUFHLLLTJLA-STQMWFEESA-N 0 3 321.808 2.278 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C#C)cn2)C1 ZINC001039255462 691071331 /nfs/dbraw/zinc/07/13/31/691071331.db2.gz AQNAKZCEFOWWLP-MJGOQNOKSA-N 0 3 321.424 2.013 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n[nH]1 ZINC001039342405 691085491 /nfs/dbraw/zinc/08/54/91/691085491.db2.gz OFILQWSYIHUVNY-CABCVRRESA-N 0 3 302.422 2.227 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH]ccc-2n1 ZINC001039393532 691096459 /nfs/dbraw/zinc/09/64/59/691096459.db2.gz AKEMZEOKZGBHEW-CVEARBPZSA-N 0 3 322.412 2.265 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001039405746 691099507 /nfs/dbraw/zinc/09/95/07/691099507.db2.gz FZYQNCGOSSMAOM-CVEARBPZSA-N 0 3 315.417 2.215 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC001039945265 691167390 /nfs/dbraw/zinc/16/73/90/691167390.db2.gz WKXGJONGQVZLEB-YVSFHVDLSA-N 0 3 306.450 2.441 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3cc(C)oc3C)C2)C1 ZINC001040065105 691188507 /nfs/dbraw/zinc/18/85/07/691188507.db2.gz OHNZODFWOZDZMY-SFHVURJKSA-N 0 3 300.402 2.458 20 30 DEEDHN C=CCN1CCC(Nc2cc(C(=O)OCC)nc(C)n2)CC1 ZINC000881947265 691189718 /nfs/dbraw/zinc/18/97/18/691189718.db2.gz JNGXWLXZGBSRBB-UHFFFAOYSA-N 0 3 304.394 2.024 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3ncoc3CC)C2)C1 ZINC001040129349 691201646 /nfs/dbraw/zinc/20/16/46/691201646.db2.gz FUSFOTBLQZSFTG-SFHVURJKSA-N 0 3 315.417 2.188 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3oc(C)nc3C)C2)C1 ZINC001040139163 691203461 /nfs/dbraw/zinc/20/34/61/691203461.db2.gz YBUYJCDJYRXMLB-SFHVURJKSA-N 0 3 315.417 2.243 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3ccc(F)cn3)C2)C1 ZINC001040170416 691207504 /nfs/dbraw/zinc/20/75/04/691207504.db2.gz OTOFTHUTASSTOY-GOSISDBHSA-N 0 3 315.392 2.172 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3cc(C)sn3)C2)C1 ZINC001040175937 691209453 /nfs/dbraw/zinc/20/94/53/691209453.db2.gz ZMNKCXOYHRDFGB-KRWDZBQOSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3CC(OCC)C3)C2)C1 ZINC001040198132 691212208 /nfs/dbraw/zinc/21/22/08/691212208.db2.gz PPUCCXJYWJLNRF-FAFZWHIHSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)Cc3cscn3)C2)C1 ZINC001040435659 691247372 /nfs/dbraw/zinc/24/73/72/691247372.db2.gz PYZAEZRVPOMJRC-QGZVFWFLSA-N 0 3 317.458 2.023 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)Cc3cscn3)C2)C1 ZINC001040435658 691247441 /nfs/dbraw/zinc/24/74/41/691247441.db2.gz PYZAEZRVPOMJRC-KRWDZBQOSA-N 0 3 317.458 2.023 20 30 DEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cn(C)nc3Cl)C2)C1 ZINC001040492061 691256039 /nfs/dbraw/zinc/25/60/39/691256039.db2.gz LTOCLHWWXVSBBJ-INIZCTEOSA-N 0 3 322.840 2.188 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCc3nccs3)C2)C1 ZINC001040534599 691263507 /nfs/dbraw/zinc/26/35/07/691263507.db2.gz LLZYHRDIKYFRLV-KRWDZBQOSA-N 0 3 317.458 2.023 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)n3cccc3)C2)CC1 ZINC001040672628 691277811 /nfs/dbraw/zinc/27/78/11/691277811.db2.gz ZKPQMMFUQUFSRF-QGZVFWFLSA-N 0 3 313.445 2.387 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3oc(CC)nc3C)C2)CC1 ZINC001040906182 691297365 /nfs/dbraw/zinc/29/73/65/691297365.db2.gz BLECVXJECKAKFJ-UHFFFAOYSA-N 0 3 315.417 2.107 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)CCc3ccc(C)o3)C2)CC1 ZINC001040946736 691299713 /nfs/dbraw/zinc/29/97/13/691299713.db2.gz HABRAVYJKBVXTQ-UHFFFAOYSA-N 0 3 314.429 2.468 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3ccoc3CC)C2)C1 ZINC001041244452 691351612 /nfs/dbraw/zinc/35/16/12/691351612.db2.gz RZITXUPUJPOPDD-SFHVURJKSA-N 0 3 300.402 2.403 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)(C)[C@@H]3CCCCO3)C2)C1 ZINC001041290993 691357031 /nfs/dbraw/zinc/35/70/31/691357031.db2.gz QSZZXIKQDCRWBX-LPHOPBHVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC001041349790 691365277 /nfs/dbraw/zinc/36/52/77/691365277.db2.gz QAVZNQWJDSKYTP-LJQANCHMSA-N 0 3 312.413 2.330 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccnc(CCC)c3)C2)C1 ZINC001041378061 691368557 /nfs/dbraw/zinc/36/85/57/691368557.db2.gz GOZAIMDHBMBGHZ-IBGZPJMESA-N 0 3 311.429 2.205 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(C(=O)c3snnc3C3CC3)C2)C1 ZINC001041375326 691369095 /nfs/dbraw/zinc/36/90/95/691369095.db2.gz MVIAVXPQAMRRMZ-MRXNPFEDSA-N 0 3 318.446 2.140 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc(C)c(F)cc3F)C2)C1 ZINC001041395817 691370906 /nfs/dbraw/zinc/37/09/06/691370906.db2.gz NWUSHENSDIPVAL-SFHVURJKSA-N 0 3 318.367 2.444 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cccc(C(C)C)n3)C2)C1 ZINC001041445892 691376935 /nfs/dbraw/zinc/37/69/35/691376935.db2.gz PQUPHEJJUGEDRK-IBGZPJMESA-N 0 3 311.429 2.376 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001041465492 691379770 /nfs/dbraw/zinc/37/97/70/691379770.db2.gz AOCLDDIPPCXOCW-APWZRJJASA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3c(C)onc3C3CC3)C2)C1 ZINC001041480670 691383025 /nfs/dbraw/zinc/38/30/25/691383025.db2.gz VTXJEGKBGLLRFE-GOSISDBHSA-N 0 3 313.401 2.032 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCc4cccnc43)C2)C1 ZINC001041607609 691400742 /nfs/dbraw/zinc/40/07/42/691400742.db2.gz YRESHKJXGGHWMI-PXNSSMCTSA-N 0 3 323.440 2.059 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3occc3Cl)C2)C1 ZINC001041645901 691404942 /nfs/dbraw/zinc/40/49/42/691404942.db2.gz NKJMIOJGUJAVPG-INIZCTEOSA-N 0 3 306.793 2.494 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc(C)ccc3F)C2)C1 ZINC001041711506 691413622 /nfs/dbraw/zinc/41/36/22/691413622.db2.gz UWQXOSJCEYCDJF-SFHVURJKSA-N 0 3 300.377 2.305 20 30 DEEDHN C#CC[C@@H](CO)NCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000883124156 691434749 /nfs/dbraw/zinc/43/47/49/691434749.db2.gz YNSMHFXFIRQAQE-HNNXBMFYSA-N 0 3 309.369 2.307 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3ccccc3)C2)C1 ZINC001041839744 691443082 /nfs/dbraw/zinc/44/30/82/691443082.db2.gz PLMVDJWUBRUXJI-PXNSSMCTSA-N 0 3 310.441 2.423 20 30 DEEDHN C=CCC[C@@H](COc1ccccc1)N[C@@H](CO)c1cnn(C)c1 ZINC000883209312 691457019 /nfs/dbraw/zinc/45/70/19/691457019.db2.gz ZTJZWMVMFFGQFG-WMZOPIPTSA-N 0 3 315.417 2.457 20 30 DEEDHN C=CCC[C@@H](COc1ccccc1)N[C@@H](C)C(=O)N(C)OC ZINC000883240331 691464152 /nfs/dbraw/zinc/46/41/52/691464152.db2.gz PGLGHMAEKMQFAV-GJZGRUSLSA-N 0 3 306.406 2.398 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCc3ccco3)C[C@H]21 ZINC001041931764 691468110 /nfs/dbraw/zinc/46/81/10/691468110.db2.gz OCYMBGKUVBUTFN-NVXWUHKLSA-N 0 3 300.402 2.158 20 30 DEEDHN Cc1ncccc1CN1CC[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001042059097 691494563 /nfs/dbraw/zinc/49/45/63/691494563.db2.gz ZJNONERIJJTAEQ-HKUYNNGSSA-N 0 3 323.440 2.226 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c[nH]c(CC(C)C)n3)C[C@H]21 ZINC001042062200 691495519 /nfs/dbraw/zinc/49/55/19/691495519.db2.gz KVDDXVRIUQHNIY-GOEBONIOSA-N 0 3 316.449 2.331 20 30 DEEDHN C=C(C)C[C@H](CO)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000883401522 691498437 /nfs/dbraw/zinc/49/84/37/691498437.db2.gz OWNWDTVJDPDLIE-GFCCVEGCSA-N 0 3 308.813 2.347 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3nc(C)sc3C)C[C@@H]21 ZINC001042113040 691511628 /nfs/dbraw/zinc/51/16/28/691511628.db2.gz VRBKCXAXLFJHQH-KGLIPLIRSA-N 0 3 305.447 2.482 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cncc(OC)c3C)C[C@H]21 ZINC001042113688 691511799 /nfs/dbraw/zinc/51/17/99/691511799.db2.gz DKHXQVYPDAVRLR-GDBMZVCRSA-N 0 3 315.417 2.121 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)Cc3nc(C)sc3C)C[C@H]21 ZINC001042117351 691512486 /nfs/dbraw/zinc/51/24/86/691512486.db2.gz PYNGXIPRTYABGA-GDBMZVCRSA-N 0 3 319.474 2.411 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C[C@@H]21 ZINC001042116755 691512593 /nfs/dbraw/zinc/51/25/93/691512593.db2.gz NGKOZONRRHBFJZ-OCCSQVGLSA-N 0 3 322.840 2.186 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)C[C@@H]21 ZINC001042149676 691521720 /nfs/dbraw/zinc/52/17/20/691521720.db2.gz SNZQDYQCOJZTQH-GUYCJALGSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C(F)F)n(C)n3)C[C@H]21 ZINC001042153474 691523771 /nfs/dbraw/zinc/52/37/71/691523771.db2.gz SNMMHWJQYDKHTL-SMDDNHRTSA-N 0 3 324.375 2.080 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccnc4ccncc43)C[C@H]21 ZINC001042165640 691527953 /nfs/dbraw/zinc/52/79/53/691527953.db2.gz NGRQKGAYPGTLAM-RDTXWAMCSA-N 0 3 322.412 2.352 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(CCC)n[nH]3)C[C@@H]21 ZINC001042177466 691530114 /nfs/dbraw/zinc/53/01/14/691530114.db2.gz WODWQXUHSAILDZ-BBRMVZONSA-N 0 3 302.422 2.085 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc4[nH]ncc43)C[C@H]21 ZINC001042179583 691531100 /nfs/dbraw/zinc/53/11/00/691531100.db2.gz OBYCJXBOJBILJU-SUMWQHHRSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(c4cccnc4)CC3)C[C@@H]21 ZINC001042195791 691532570 /nfs/dbraw/zinc/53/25/70/691532570.db2.gz BUTIGLFTRXCULC-RDJZCZTQSA-N 0 3 311.429 2.222 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001042207598 691536946 /nfs/dbraw/zinc/53/69/46/691536946.db2.gz POTNERKIOWKFEE-DYVFJYSZSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21 ZINC001042272982 691554764 /nfs/dbraw/zinc/55/47/64/691554764.db2.gz QWOQQOJRWCLUOC-YOEHRIQHSA-N 0 3 310.401 2.057 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3ncoc3C(C)C)C[C@@H]21 ZINC001042302990 691563097 /nfs/dbraw/zinc/56/30/97/691563097.db2.gz BMCSFZQPPHVXNE-CABCVRRESA-N 0 3 315.417 2.358 20 30 DEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccc(OC)cc3)C[C@H]21 ZINC001042329390 691572474 /nfs/dbraw/zinc/57/24/74/691572474.db2.gz ZHQVZMILGNXLHW-MAUKXSAKSA-N 0 3 312.413 2.255 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cn4c(cccc4C)n3)C[C@@H]21 ZINC001042345302 691577218 /nfs/dbraw/zinc/57/72/18/691577218.db2.gz KTIYVWLQPFZZQB-RDJZCZTQSA-N 0 3 324.428 2.365 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C[C@@H]21 ZINC001042348772 691579230 /nfs/dbraw/zinc/57/92/30/691579230.db2.gz DZBSXQQHWAHKDT-QUCCMNQESA-N 0 3 322.452 2.274 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3ccc(C)s3)C[C@H]21 ZINC001042368639 691583682 /nfs/dbraw/zinc/58/36/82/691583682.db2.gz SMQBLARFXQSBRB-GDBMZVCRSA-N 0 3 302.443 2.155 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cc(C#N)ccc1F ZINC000931711518 694461007 /nfs/dbraw/zinc/46/10/07/694461007.db2.gz CUNUYCKDOSTFGI-BONVTDFDSA-N 0 3 302.353 2.302 20 30 DEEDHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884062959 691644678 /nfs/dbraw/zinc/64/46/78/691644678.db2.gz IECOPUDKSDYGFY-MNSPSGFLSA-N 0 3 315.392 2.484 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cc(F)c(F)c(F)c1)C2 ZINC000884069830 691646462 /nfs/dbraw/zinc/64/64/62/691646462.db2.gz PXAUVZLIHINJKR-WWNCPBBQSA-N 0 3 309.291 2.182 20 30 DEEDHN CCOc1cc(C)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884084873 691650588 /nfs/dbraw/zinc/65/05/88/691650588.db2.gz DQDJJRMSDPGUIR-TXKKKEFDSA-N 0 3 313.401 2.472 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCc1ccc(Cl)s1)C2 ZINC000884094126 691652862 /nfs/dbraw/zinc/65/28/62/691652862.db2.gz CCIZCUSOCKBUBO-LOIXOFCESA-N 0 3 323.849 2.200 20 30 DEEDHN Cc1ccc2c(c1)[C@@H](NC(=O)C1CC3(C1)CNC[C@H]3C#N)CC2 ZINC000884129215 691661371 /nfs/dbraw/zinc/66/13/71/691661371.db2.gz ASFDNYMKDBRXII-VOLNDZDFSA-N 0 3 309.413 2.238 20 30 DEEDHN Cc1cccc(C)c1CCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884139881 691664658 /nfs/dbraw/zinc/66/46/58/691664658.db2.gz FCIAPOUTMLSLDJ-WUJZJPHMSA-N 0 3 311.429 2.102 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H]1CC3CCC1CC3)C2 ZINC000884372632 691721939 /nfs/dbraw/zinc/72/19/39/691721939.db2.gz QXVDVCFSSQBFAS-WNLICDJHSA-N 0 3 301.434 2.068 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884395551 691728138 /nfs/dbraw/zinc/72/81/38/691728138.db2.gz FIMPGULZPKSAJE-XTCFQUFBSA-N 0 3 301.434 2.377 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCC(C3CCC3)CC1)C2 ZINC000884400978 691729607 /nfs/dbraw/zinc/72/96/07/691729607.db2.gz 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C[C@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccc3ncccc3c2)C1 ZINC001380353149 1152796247 /nfs/dbraw/zinc/79/62/47/1152796247.db2.gz XOABUEFXEFOWRC-KUHUBIRLSA-N 0 3 322.412 2.475 20 30 DEEDHN Cc1nc(C)c(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)o1 ZINC001402867062 1162505118 /nfs/dbraw/zinc/50/51/18/1162505118.db2.gz MGPVIVXUIKMDMP-VIFPVBQESA-N 0 3 318.402 2.133 20 30 DEEDHN Cc1ncoc1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001381504085 1153099364 /nfs/dbraw/zinc/09/93/64/1153099364.db2.gz DHMXXIGKKXKRLB-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H](C)CC)C1 ZINC001381951513 1153285403 /nfs/dbraw/zinc/28/54/03/1153285403.db2.gz LMDFXEJKCZZEES-YUSALJHKSA-N 0 3 303.244 2.426 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001381956093 1153287369 /nfs/dbraw/zinc/28/73/69/1153287369.db2.gz RBRNRZCUGWXESW-IJLUTSLNSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001402931983 1162548866 /nfs/dbraw/zinc/54/88/66/1162548866.db2.gz KXBCOIYWZAJYAR-AWEZNQCLSA-N 0 3 301.862 2.002 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001402984134 1162599186 /nfs/dbraw/zinc/59/91/86/1162599186.db2.gz JOIACHYWQOEHRA-NHYWBVRUSA-N 0 3 309.360 2.286 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001390015925 1155500062 /nfs/dbraw/zinc/50/00/62/1155500062.db2.gz OTWTXHMJKVTENM-BETUJISGSA-N 0 3 311.813 2.213 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)NCc1ccc(C#N)c(F)c1 ZINC001390459884 1155733367 /nfs/dbraw/zinc/73/33/67/1155733367.db2.gz QZRSJWBMRYTIHH-DANNLKNASA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001390684173 1155837789 /nfs/dbraw/zinc/83/77/89/1155837789.db2.gz YMKCBZFCVYHPLR-NSHDSACASA-N 0 3 311.813 2.200 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1ccccn1 ZINC001371697950 1155938125 /nfs/dbraw/zinc/93/81/25/1155938125.db2.gz JMGVGFPKAWZYBV-LLVKDONJSA-N 0 3 312.211 2.088 20 30 DEEDHN Cc1cc(C(=O)NCC[C@@H](C)NCc2ccccc2C#N)on1 ZINC001371711754 1155956385 /nfs/dbraw/zinc/95/63/85/1155956385.db2.gz HAPQAFYVBUEDHP-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001371770827 1156008291 /nfs/dbraw/zinc/00/82/91/1156008291.db2.gz JJVVCXRWZFBCMO-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cncnc1C(C)C ZINC001371880514 1156051614 /nfs/dbraw/zinc/05/16/14/1156051614.db2.gz HLBLVOMWFYIMJI-GFCCVEGCSA-N 0 3 310.829 2.451 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001372597985 1156588167 /nfs/dbraw/zinc/58/81/67/1156588167.db2.gz SHECVOOSJVHQBR-QWHCGFSZSA-N 0 3 305.809 2.438 20 30 DEEDHN C=C(Cl)CN(CCNC(=O)[C@H]1CCCc2[nH]ncc21)C1CC1 ZINC001372803091 1156795135 /nfs/dbraw/zinc/79/51/35/1156795135.db2.gz JIQMQLCWOAVNIB-ZDUSSCGKSA-N 0 3 322.840 2.163 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001391791463 1156803918 /nfs/dbraw/zinc/80/39/18/1156803918.db2.gz ZPEDYCWHELBJRD-WFASDCNBSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)c1cc[nH]c1)C(C)C ZINC001392219740 1156895959 /nfs/dbraw/zinc/89/59/59/1156895959.db2.gz WWMXFHSAQHYGQC-LBPRGKRZSA-N 0 3 314.227 2.267 20 30 DEEDHN C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001392330095 1157024551 /nfs/dbraw/zinc/02/45/51/1157024551.db2.gz ATLUAFUTIOKFFY-CQSZACIVSA-N 0 3 301.862 2.004 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cncs1 ZINC001392466753 1157060380 /nfs/dbraw/zinc/06/03/80/1157060380.db2.gz QOPOYFXQGZKPOU-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN CC[C@H](CNC(=O)c1cc[nH]c1)NCc1ccc(C#N)c(F)c1 ZINC001373757528 1157344259 /nfs/dbraw/zinc/34/42/59/1157344259.db2.gz YDXLFHYXIYSSLB-OAHLLOKOSA-N 0 3 314.364 2.324 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)C2CCC2)C2CC2)cc1F ZINC001392762096 1157393675 /nfs/dbraw/zinc/39/36/75/1157393675.db2.gz ZWQVGHTWUOHQTJ-QGZVFWFLSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001373870727 1157423305 /nfs/dbraw/zinc/42/33/05/1157423305.db2.gz QHNSIYRTINMNBE-OAHLLOKOSA-N 0 3 310.829 2.213 20 30 DEEDHN CO[C@@H](C(=O)NCC[C@@H](C)NCc1ccccc1C#N)C(C)C ZINC001403435445 1162881279 /nfs/dbraw/zinc/88/12/79/1162881279.db2.gz RXXGSDHVIKJWRJ-RHSMWYFYSA-N 0 3 317.433 2.214 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001374330565 1157815109 /nfs/dbraw/zinc/81/51/09/1157815109.db2.gz QIKICOSGNRIITL-ZBFHGGJFSA-N 0 3 323.868 2.478 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)[C@H](C)OCC)C(C)C ZINC001374413566 1157846195 /nfs/dbraw/zinc/84/61/95/1157846195.db2.gz YDXZELKFCCAOFA-NWDGAFQWSA-N 0 3 321.259 2.050 20 30 DEEDHN COc1cc(Cl)ccc1CNC[C@H](C)NC(=O)[C@@H](C)C#N ZINC001374872089 1158067850 /nfs/dbraw/zinc/06/78/50/1158067850.db2.gz FIFZGQIEYKRIIF-QWRGUYRKSA-N 0 3 309.797 2.103 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@H](CNCc1ccccc1F)C1CC1 ZINC001394413087 1158499348 /nfs/dbraw/zinc/49/93/48/1158499348.db2.gz AJMHRHVHQSCEGQ-MLGOLLRUSA-N 0 3 303.381 2.312 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)c1cnc(C)n1C)C(C)(C)C ZINC001394822628 1158804776 /nfs/dbraw/zinc/80/47/76/1158804776.db2.gz HDPDSEODGLKLTH-CYBMUJFWSA-N 0 3 312.845 2.215 20 30 DEEDHN CCn1cccc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001375542114 1158807570 /nfs/dbraw/zinc/80/75/70/1158807570.db2.gz GHMYQCGFVXYUAT-UHFFFAOYSA-N 0 3 322.412 2.432 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001376018673 1159053754 /nfs/dbraw/zinc/05/37/54/1159053754.db2.gz LTXVRLKIKIBLTM-GXTWGEPZSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C)[nH]n1 ZINC001376018673 1159053763 /nfs/dbraw/zinc/05/37/63/1159053763.db2.gz LTXVRLKIKIBLTM-GXTWGEPZSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001376401784 1159388219 /nfs/dbraw/zinc/38/82/19/1159388219.db2.gz OEEJPQHBZXJBML-JOCQHMNTSA-N 0 3 324.808 2.063 20 30 DEEDHN CC(C)SCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001376703348 1159706202 /nfs/dbraw/zinc/70/62/02/1159706202.db2.gz SHJXKJJTQWGBDG-NSHDSACASA-N 0 3 311.476 2.356 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001376715076 1159717478 /nfs/dbraw/zinc/71/74/78/1159717478.db2.gz PBXDVBWNNFHXMS-VXGBXAGGSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001376914985 1159844849 /nfs/dbraw/zinc/84/48/49/1159844849.db2.gz VHTUOHNQSSMBLH-HUUCEWRRSA-N 0 3 315.889 2.296 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001377136250 1159955009 /nfs/dbraw/zinc/95/50/09/1159955009.db2.gz ZFRGJJGMLCGRMW-LRDDRELGSA-N 0 3 303.381 2.411 20 30 DEEDHN CCc1ccc(CN(C)CCNC(=O)c2cc(C#N)c[nH]2)cc1 ZINC001377139154 1159961344 /nfs/dbraw/zinc/96/13/44/1159961344.db2.gz KDAWKQRPYQBEJX-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)CCC)C(C)(C)C1 ZINC001377325419 1160218735 /nfs/dbraw/zinc/21/87/35/1160218735.db2.gz IOBNBDMEIBKWMC-AWEZNQCLSA-N 0 3 315.889 2.297 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccn1)N(C)Cc1ccc(C#N)cc1 ZINC001377993351 1160895672 /nfs/dbraw/zinc/89/56/72/1160895672.db2.gz WVMJTTCUJACRML-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001378154849 1161061482 /nfs/dbraw/zinc/06/14/82/1161061482.db2.gz NGGOUTNWMIHBRW-CABCVRRESA-N 0 3 315.889 2.438 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ncc2n1CCCC2 ZINC001399434723 1161393282 /nfs/dbraw/zinc/39/32/82/1161393282.db2.gz XYGHQJVJPFXTFC-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C[C@H]2CCOC2)CCCC1 ZINC001400920314 1161846466 /nfs/dbraw/zinc/84/64/66/1161846466.db2.gz XTRCEFBOLNEYKN-CYBMUJFWSA-N 0 3 300.830 2.184 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC12CC2 ZINC001401647775 1162058999 /nfs/dbraw/zinc/05/89/99/1162058999.db2.gz XLWXQIWIEYMRSL-RISCZKNCSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC1(F)F ZINC001401758737 1162112924 /nfs/dbraw/zinc/11/29/24/1162112924.db2.gz MDBQDVNGIHCTQU-RISCZKNCSA-N 0 3 307.344 2.150 20 30 DEEDHN N#CCOc1ccc(CNC2(CNC(=O)C3CCC3)CC2)cc1 ZINC001401918845 1162180593 /nfs/dbraw/zinc/18/05/93/1162180593.db2.gz YAFSEIRCTGXXCW-UHFFFAOYSA-N 0 3 313.401 2.127 20 30 DEEDHN CCC(=O)NC1(C)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001402077805 1162237959 /nfs/dbraw/zinc/23/79/59/1162237959.db2.gz UMLNIGCPWVZYJY-UHFFFAOYSA-N 0 3 315.417 2.470 20 30 DEEDHN CC[C@@H](CNC(=O)C1CCC1)NCc1ccc(C#N)c(F)c1 ZINC001405194541 1164007718 /nfs/dbraw/zinc/00/77/18/1164007718.db2.gz QLTBNUSGXZWQKV-HNNXBMFYSA-N 0 3 303.381 2.482 20 30 DEEDHN CC(C)n1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001405507797 1164125233 /nfs/dbraw/zinc/12/52/33/1164125233.db2.gz ROUWDXHTYXDGHB-RBSFLKMASA-N 0 3 317.437 2.141 20 30 DEEDHN Cc1cccnc1CNC[C@H](CC(C)C)NC(=O)[C@@H](C)C#N ZINC001405925464 1164338612 /nfs/dbraw/zinc/33/86/12/1164338612.db2.gz IRRHMFBWCSNQET-GJZGRUSLSA-N 0 3 302.422 2.170 20 30 DEEDHN Cc1cncc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)c1 ZINC001406348918 1164547552 /nfs/dbraw/zinc/54/75/52/1164547552.db2.gz KIILOOHKSCCTMX-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN CC[C@@H](C)OCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001406463165 1164620331 /nfs/dbraw/zinc/62/03/31/1164620331.db2.gz JSLDJRSEBPLMOD-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN Cc1cccnc1CN1CC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 ZINC001408107408 1165479378 /nfs/dbraw/zinc/47/93/78/1165479378.db2.gz QWZMSOATLBGPJD-GDBMZVCRSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001408206271 1165531726 /nfs/dbraw/zinc/53/17/26/1165531726.db2.gz OETHYCCQXBJXHU-AAEUAGOBSA-N 0 3 312.845 2.151 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@H]1C#N ZINC001415741307 1166410940 /nfs/dbraw/zinc/41/09/40/1166410940.db2.gz ACKZHQHMKRGZHW-CHWSQXEVSA-N 0 3 307.344 2.015 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H](F)CC)C1 ZINC001417767053 1167198679 /nfs/dbraw/zinc/19/86/79/1167198679.db2.gz FKSNRYPVHPPELC-AXFHLTTASA-N 0 3 307.207 2.128 20 30 DEEDHN CO[C@@H](C)CC(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001417966192 1167334244 /nfs/dbraw/zinc/33/42/44/1167334244.db2.gz BCIDLRACRYQAIC-NHYWBVRUSA-N 0 3 321.446 2.029 20 30 DEEDHN CC(C)c1cccc(CN[C@H](CNC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001417969845 1167336509 /nfs/dbraw/zinc/33/65/09/1167336509.db2.gz PGMQCPUSQMFCQK-CXAGYDPISA-N 0 3 314.433 2.349 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001418049415 1167382714 /nfs/dbraw/zinc/38/27/14/1167382714.db2.gz INDVNFHHPISEPU-FPQZTECRSA-N 0 3 307.344 2.422 20 30 DEEDHN Cc1[nH]ccc1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001418388584 1167619106 /nfs/dbraw/zinc/61/91/06/1167619106.db2.gz HSLCTSUSEDSMIC-CYBMUJFWSA-N 0 3 310.401 2.493 20 30 DEEDHN CCN(CCNC(=O)C[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC001418533419 1167785638 /nfs/dbraw/zinc/78/56/38/1167785638.db2.gz MGGIKAULGBRMJB-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)Cc1cnccc1C)C1CC1 ZINC001419265094 1168357086 /nfs/dbraw/zinc/35/70/86/1168357086.db2.gz LJPVIHVVUBRMPI-OAHLLOKOSA-N 0 3 307.825 2.169 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001419344072 1168414156 /nfs/dbraw/zinc/41/41/56/1168414156.db2.gz NEGLLOBYWNSXCV-AWEZNQCLSA-N 0 3 324.856 2.265 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001419344072 1168414160 /nfs/dbraw/zinc/41/41/60/1168414160.db2.gz NEGLLOBYWNSXCV-AWEZNQCLSA-N 0 3 324.856 2.265 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2cn[nH]c2)CCCC[C@@H]1C ZINC001419363038 1168424116 /nfs/dbraw/zinc/42/41/16/1168424116.db2.gz FPWCOYJNKPEWEH-NHYWBVRUSA-N 0 3 310.829 2.431 20 30 DEEDHN CS[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001419647065 1168745393 /nfs/dbraw/zinc/74/53/93/1168745393.db2.gz HHZTYFWDXCLIID-VXGBXAGGSA-N 0 3 323.437 2.385 20 30 DEEDHN CO[C@@H](C(=O)N(C)[C@H](C)CNCc1ccc(C#N)s1)C(C)C ZINC001419700777 1168808757 /nfs/dbraw/zinc/80/87/57/1168808757.db2.gz BUKURJPWTLDCHQ-IUODEOHRSA-N 0 3 323.462 2.227 20 30 DEEDHN CC(C)OCCC(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001419703003 1168810111 /nfs/dbraw/zinc/81/01/11/1168810111.db2.gz HTRPXRNWOFISKK-CYBMUJFWSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Br)CN[C@@H](CNC(=O)c1ccc[nH]1)C(C)C ZINC001419855079 1168875452 /nfs/dbraw/zinc/87/54/52/1168875452.db2.gz CUWFYAXDWPDLLE-LBPRGKRZSA-N 0 3 314.227 2.267 20 30 DEEDHN C[C@H](CCNC(=O)Cc1ccc[nH]1)NCc1ccccc1C#N ZINC001420165565 1169204899 /nfs/dbraw/zinc/20/48/99/1169204899.db2.gz RDNCFROGOMDJNY-CQSZACIVSA-N 0 3 310.401 2.113 20 30 DEEDHN CCN(CCNC(=O)[C@@H]1C[C@@H]1C)Cc1ccc(OCC#N)cc1 ZINC001420366739 1169409163 /nfs/dbraw/zinc/40/91/63/1169409163.db2.gz NDTNMQSDOQUJCK-WMLDXEAASA-N 0 3 315.417 2.183 20 30 DEEDHN CC[C@H](C)C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1 ZINC001420913475 1171341251 /nfs/dbraw/zinc/34/12/51/1171341251.db2.gz IIDYTCCTZROMAB-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN CSC[C@H](C)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001420922189 1171350930 /nfs/dbraw/zinc/35/09/30/1171350930.db2.gz OXZNPLXLCDBLBK-ZDUSSCGKSA-N 0 3 317.458 2.296 20 30 DEEDHN CN(C)[C@@H](CNc1cnc(C#N)c(C#N)n1)c1cccc(F)c1 ZINC001421038122 1171446504 /nfs/dbraw/zinc/44/65/04/1171446504.db2.gz IQAHYKJUHDRXIG-HNNXBMFYSA-N 0 3 310.336 2.074 20 30 DEEDHN N#Cc1cccc([C@H](O)CN[C@H](CO)c2cccc(F)c2)c1 ZINC001421642466 1171879144 /nfs/dbraw/zinc/87/91/44/1171879144.db2.gz TZZSEXXZJYIIGC-IAGOWNOFSA-N 0 3 300.333 2.054 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCN1C(=O)C(C)(C)n1cnc(C)c1 ZINC001421646323 1171881161 /nfs/dbraw/zinc/88/11/61/1171881161.db2.gz SIKMUEDTRBWAJX-CQSZACIVSA-N 0 3 324.856 2.260 20 30 DEEDHN C[C@@H](CNCc1ccccc1C#N)CNC(=O)c1cccnc1 ZINC001421665903 1171889908 /nfs/dbraw/zinc/88/99/08/1171889908.db2.gz SOASDEABYBZBNA-AWEZNQCLSA-N 0 3 308.385 2.109 20 30 DEEDHN C=C(Cl)CN(C)CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001424339978 1173765745 /nfs/dbraw/zinc/76/57/45/1173765745.db2.gz MDKLCAXREYARAF-OAHLLOKOSA-N 0 3 315.889 2.394 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001424741647 1173893882 /nfs/dbraw/zinc/89/38/82/1173893882.db2.gz LHQATROWRVSQLL-UHFFFAOYSA-N 0 3 318.755 2.198 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)[C@@H](C)CNC(=O)[C@@H](C)C#N)c1 ZINC001424918022 1174031273 /nfs/dbraw/zinc/03/12/73/1174031273.db2.gz DQMQORZBYWSOAJ-HOTGVXAUSA-N 0 3 317.433 2.278 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001425421811 1174314872 /nfs/dbraw/zinc/31/48/72/1174314872.db2.gz XUHMDPNXDUZQHD-YEORSEQZSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001425425010 1174315722 /nfs/dbraw/zinc/31/57/22/1174315722.db2.gz WNDWJVUMYDGTNI-UMSPYCQHSA-N 0 3 309.797 2.403 20 30 DEEDHN C[C@@H](CN(C)C(=O)CC1CC1)NCc1ccc(C#N)c(F)c1 ZINC001425509793 1174343869 /nfs/dbraw/zinc/34/38/69/1174343869.db2.gz ICVPDPQHWUAMAM-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC([C@H]3CCCO3)CC2)c1 ZINC001434468126 1178614482 /nfs/dbraw/zinc/61/44/82/1178614482.db2.gz YZOJNFGGSYTZBE-QZTJIDSGSA-N 0 3 300.402 2.483 20 30 DEEDHN COc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)ccc1S(C)(=O)=O ZINC001434496673 1178672463 /nfs/dbraw/zinc/67/24/63/1178672463.db2.gz ICVQKHFSOQSLCQ-SCRDCRAPSA-N 0 3 322.430 2.442 20 30 DEEDHN COc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)ccc1S(C)(=O)=O ZINC001434496672 1178673319 /nfs/dbraw/zinc/67/33/19/1178673319.db2.gz ICVQKHFSOQSLCQ-OUCADQQQSA-N 0 3 322.430 2.442 20 30 DEEDHN C[C@@H](CNC(=O)C1(C2CC2)CC1)NCc1ccc(C#N)s1 ZINC001437155072 1179496212 /nfs/dbraw/zinc/49/62/12/1179496212.db2.gz WRNQGFMRJYXDMW-NSHDSACASA-N 0 3 303.431 2.404 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)ccn1 ZINC001437229030 1179612536 /nfs/dbraw/zinc/61/25/36/1179612536.db2.gz ZUXNQGNMSUDHHO-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN CO[C@H](C)CC(=O)NCC[C@H](C)NCc1cc(C#N)ccc1F ZINC001437372158 1179769958 /nfs/dbraw/zinc/76/99/58/1179769958.db2.gz ZTYJGRUGJWTJBL-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001437398840 1179782986 /nfs/dbraw/zinc/78/29/86/1179782986.db2.gz FVHXMVHTCXASAP-LLVKDONJSA-N 0 3 312.845 2.370 20 30 DEEDHN CCN(CCNC(=O)C1=COCCC1)Cc1ccc(C#N)cc1 ZINC001437579884 1179852992 /nfs/dbraw/zinc/85/29/92/1179852992.db2.gz BSCNOCXVNAZRFD-UHFFFAOYSA-N 0 3 313.401 2.191 20 30 DEEDHN CCCN(CCNC(=O)[C@@H](C)OC)Cc1ccc(F)c(C#N)c1 ZINC001437734654 1179921855 /nfs/dbraw/zinc/92/18/55/1179921855.db2.gz FPPDSBHLSAMXMP-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)COc1cccnc1)C1CC1 ZINC001438426813 1180411410 /nfs/dbraw/zinc/41/14/10/1180411410.db2.gz XSORMRYXQUDNBX-INIZCTEOSA-N 0 3 323.824 2.087 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)CC1CCC1 ZINC001439197445 1180931342 /nfs/dbraw/zinc/93/13/42/1180931342.db2.gz FARAZUWTRJXILB-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001439361730 1181043768 /nfs/dbraw/zinc/04/37/68/1181043768.db2.gz LAHNHZQUCKDBHU-WMLDXEAASA-N 0 3 317.433 2.310 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001439633686 1181178531 /nfs/dbraw/zinc/17/85/31/1181178531.db2.gz IZAIDXDKVXURCF-FVQHAEBGSA-N 0 3 309.413 2.343 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001440949564 1181792141 /nfs/dbraw/zinc/79/21/41/1181792141.db2.gz CFLRJKYOKWMDML-CJNGLKHVSA-N 0 3 305.397 2.489 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001441456529 1182003728 /nfs/dbraw/zinc/00/37/28/1182003728.db2.gz LPNRZNPHBDUNSW-WFFHOREQSA-N 0 3 307.344 2.422 20 30 DEEDHN CCc1onc(C)c1CNC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C ZINC001442158006 1182350470 /nfs/dbraw/zinc/35/04/70/1182350470.db2.gz ZVLMWMOMCLXJFJ-IAQYHMDHSA-N 0 3 320.437 2.326 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC1CC(N(C)C(=O)[C@H](C)C#N)C1 ZINC001442234713 1182381812 /nfs/dbraw/zinc/38/18/12/1182381812.db2.gz VVMWWEFAWOCONA-LMWSTFAQSA-N 0 3 318.421 2.345 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc(C(F)F)ncn1 ZINC001442253572 1182392149 /nfs/dbraw/zinc/39/21/49/1182392149.db2.gz ANEMJWPEKSCJSI-SECBINFHSA-N 0 3 318.755 2.265 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)n2cccn2)CCCC1 ZINC001444035986 1183267041 /nfs/dbraw/zinc/26/70/41/1183267041.db2.gz GRQUMZMBHJZNQU-ZDUSSCGKSA-N 0 3 310.829 2.215 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001444132349 1183296185 /nfs/dbraw/zinc/29/61/85/1183296185.db2.gz CGNRMJVZECUYRC-OAHLLOKOSA-N 0 3 309.797 2.028 20 30 DEEDHN C[C@@H](CNC/C(Cl)=C\Cl)CNC(=O)c1c[nH]c(C#N)c1 ZINC001444292367 1183334405 /nfs/dbraw/zinc/33/44/05/1183334405.db2.gz HMFKIMXOQFLYCU-OLXTUZCPSA-N 0 3 315.204 2.161 20 30 DEEDHN C=C(Cl)CNC[C@H](NC(=O)Cn1ccnc1)C1CCCCC1 ZINC001444776693 1183550358 /nfs/dbraw/zinc/55/03/58/1183550358.db2.gz CXOMLUJMMNXQKG-HNNXBMFYSA-N 0 3 324.856 2.290 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001445688801 1183979759 /nfs/dbraw/zinc/97/97/59/1183979759.db2.gz OEZISYOUEOQHHQ-CYBMUJFWSA-N 0 3 310.401 2.445 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001445711491 1184005802 /nfs/dbraw/zinc/00/58/02/1184005802.db2.gz LMFILKUOCNHAOA-GJZGRUSLSA-N 0 3 317.433 2.310 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3cc(F)c[nH]3)CC2)cc1 ZINC001446229609 1184277487 /nfs/dbraw/zinc/27/74/87/1184277487.db2.gz YJVBFDRZYLJKNW-UHFFFAOYSA-N 0 3 312.348 2.078 20 30 DEEDHN C=C(Cl)CN1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001446704587 1184515819 /nfs/dbraw/zinc/51/58/19/1184515819.db2.gz ZCXJHMKONNTXGY-HOCLYGCPSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)c2cc(C)co2)CCOCC1 ZINC001447486428 1184786308 /nfs/dbraw/zinc/78/63/08/1184786308.db2.gz BKESQDHIMUMUSR-UHFFFAOYSA-N 0 3 312.797 2.209 20 30 DEEDHN CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C#N)ccc1OC ZINC001447823807 1184883671 /nfs/dbraw/zinc/88/36/71/1184883671.db2.gz QEOBMIRWYPGIRC-OLZOCXBDSA-N 0 3 303.406 2.350 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H](CNCc1cccc(F)c1F)C1CC1 ZINC001448576514 1185302454 /nfs/dbraw/zinc/30/24/54/1185302454.db2.gz XPTJXKPESZOZPQ-XHDPSFHLSA-N 0 3 321.371 2.451 20 30 DEEDHN C=C(Br)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001448598120 1185314854 /nfs/dbraw/zinc/31/48/54/1185314854.db2.gz XLQPLJNYUOXPKF-XDTLVQLUSA-N 0 3 315.255 2.378 20 30 DEEDHN C=CCN1CCC(NC(=O)C2(Cc3ccc(O)cc3)CC2)CC1 ZINC001346799643 1151025025 /nfs/dbraw/zinc/02/50/25/1151025025.db2.gz WVGNNVYNIPHKEX-UHFFFAOYSA-N 0 3 314.429 2.482 20 30 DEEDHN CCCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnc[n-]c2=O)C1 ZINC001331992657 1149804928 /nfs/dbraw/zinc/80/49/28/1149804928.db2.gz BKGONOQNULQHTP-KBPBESRZSA-N 0 3 320.437 2.345 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CC[C@@H]3CC(C)(C)CO3)CCC[C@H]12 ZINC001332116650 1149821571 /nfs/dbraw/zinc/82/15/71/1149821571.db2.gz IZMLLWUBEZQVGH-JTDSTZFVSA-N 0 3 318.461 2.328 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)COCc2cc(C)on2)[C@H]1C ZINC001332184065 1149831697 /nfs/dbraw/zinc/83/16/97/1149831697.db2.gz HAVPOLBFWVXWIY-GDBMZVCRSA-N 0 3 321.421 2.045 20 30 DEEDHN Cc1cc(C#N)ccc1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914036207 782412575 /nfs/dbraw/zinc/41/25/75/782412575.db2.gz RXCLYSKHVBVHRY-INIZCTEOSA-N 0 3 320.414 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001332292567 1149845350 /nfs/dbraw/zinc/84/53/50/1149845350.db2.gz MUBRRFYPIKILMH-NEPJUHHUSA-N 0 3 308.451 2.125 20 30 DEEDHN CCO[C@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001407108190 1164979950 /nfs/dbraw/zinc/97/99/50/1164979950.db2.gz WHOLAKYLNSCBQU-OLZOCXBDSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](N[C@H](C)C(=O)NCCC)C(C)(C)C1 ZINC001332413532 1149857919 /nfs/dbraw/zinc/85/79/19/1149857919.db2.gz OPMLSOMEKAKGAD-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3coc(C(F)(F)F)n3)C2)C1 ZINC001072896579 790293339 /nfs/dbraw/zinc/29/33/39/790293339.db2.gz VXLGSGAEFARXCI-UHFFFAOYSA-N 0 3 315.295 2.027 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(Br)c[nH]3)C2)C1 ZINC001072903132 790295953 /nfs/dbraw/zinc/29/59/53/790295953.db2.gz PWZPHKHWEAFCTJ-UHFFFAOYSA-N 0 3 324.222 2.111 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@@H](NC[C@H](F)CC)C(C)(C)C2)c1 ZINC001332424121 1149858969 /nfs/dbraw/zinc/85/89/69/1149858969.db2.gz RCBUXGCHGKYCSF-HZPDHXFCSA-N 0 3 317.408 2.251 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cn2ccccc2n1)C(C)C ZINC001332740990 1149887178 /nfs/dbraw/zinc/88/71/78/1149887178.db2.gz QWDRZHVXUKLADU-UHFFFAOYSA-N 0 3 312.417 2.140 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)COc2ccc(F)cc2)CC1 ZINC001333015456 1149959469 /nfs/dbraw/zinc/95/94/69/1149959469.db2.gz SSOHAPAONSPRKH-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(C)o2)[C@H](OC)C1 ZINC001211795267 778857490 /nfs/dbraw/zinc/85/74/90/778857490.db2.gz GXEJKWNQJAQPCY-XNRPHZJLSA-N 0 3 306.406 2.372 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCSC)C[C@H](C)O2 ZINC001111535661 782791075 /nfs/dbraw/zinc/79/10/75/782791075.db2.gz QCAJCFKYYXNZOQ-AWEZNQCLSA-N 0 3 312.479 2.007 20 30 DEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)c(F)c2)o1 ZINC001123104099 782872795 /nfs/dbraw/zinc/87/27/95/782872795.db2.gz ABZCNFLTULSBIK-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)n2cccc2)CC(C)(C)C1 ZINC001089362351 783030628 /nfs/dbraw/zinc/03/06/28/783030628.db2.gz FLKSUUHGMKOADN-CVEARBPZSA-N 0 3 301.434 2.289 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001099311229 783043939 /nfs/dbraw/zinc/04/39/39/783043939.db2.gz QSSHBYIIYYVLQB-FDYHWXHSSA-N 0 3 320.355 2.109 20 30 DEEDHN CO[C@@H]1CN(CCC2CCCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233473 783098412 /nfs/dbraw/zinc/09/84/12/783098412.db2.gz APPCKKLCVOUQRB-QZTJIDSGSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C[C@H]1C ZINC000947357015 783115958 /nfs/dbraw/zinc/11/59/58/783115958.db2.gz QVBSGBFUACCYKY-CABCVRRESA-N 0 3 304.438 2.308 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3ccccc3n2)C[C@@H]1C ZINC000947382423 783121966 /nfs/dbraw/zinc/12/19/66/783121966.db2.gz GLNLEGPAMJSCEL-UONOGXRCSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccnn2C(CC)CC)C[C@@H]1C ZINC000947388020 783124579 /nfs/dbraw/zinc/12/45/79/783124579.db2.gz VXJRXVXKEFGSSU-GJZGRUSLSA-N 0 3 316.449 2.460 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H]1C ZINC000947487557 783151321 /nfs/dbraw/zinc/15/13/21/783151321.db2.gz FXBYHSXYNQYQRV-UONOGXRCSA-N 0 3 316.449 2.313 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C[C@@H]1C ZINC000947491934 783152659 /nfs/dbraw/zinc/15/26/59/783152659.db2.gz CQGJRDDVBZIKFY-GJZGRUSLSA-N 0 3 324.428 2.477 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3cnccc3o2)C[C@@H]1C ZINC000947501678 783154333 /nfs/dbraw/zinc/15/43/33/783154333.db2.gz BUWKNXQVHWDXTM-DZGCQCFKSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2coc(=O)c3ccccc23)C[C@@H]1C ZINC000947611214 783188600 /nfs/dbraw/zinc/18/86/00/783188600.db2.gz IIGFTWKJUTVASK-KBPBESRZSA-N 0 3 324.380 2.009 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(CC)on2)CC(C)(C)C1 ZINC001089544808 783197010 /nfs/dbraw/zinc/19/70/10/783197010.db2.gz ZEIQLCFTPJUTEI-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc(OCC)c2)C[C@@H]1C ZINC000947709501 783210027 /nfs/dbraw/zinc/21/00/27/783210027.db2.gz DBFMCUBWMCSGBI-DZGCQCFKSA-N 0 3 303.406 2.249 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C[C@@H]1C ZINC000947735616 783216859 /nfs/dbraw/zinc/21/68/59/783216859.db2.gz NHYDQLSQITUQPI-UONOGXRCSA-N 0 3 302.422 2.139 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)C[C@@H]1C ZINC000947735050 783217727 /nfs/dbraw/zinc/21/77/27/783217727.db2.gz IQVQRGXRMMZUPE-BBRMVZONSA-N 0 3 311.429 2.483 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2F)C[C@@H]1C ZINC000947753174 783223166 /nfs/dbraw/zinc/22/31/66/783223166.db2.gz BVIRVMVEZBDMRB-JSGCOSHPSA-N 0 3 306.356 2.110 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2nc(C)ncc2Cl)C[C@H]1C ZINC000947779210 783230891 /nfs/dbraw/zinc/23/08/91/783230891.db2.gz OBXPQRDCVPLUAZ-DGCLKSJQSA-N 0 3 320.824 2.044 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)c3cccs3)C2)C1 ZINC001072974754 790347305 /nfs/dbraw/zinc/34/73/05/790347305.db2.gz MDEXCMSNQJJIKW-AWEZNQCLSA-N 0 3 302.443 2.409 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(N4CC=CC4)cc3)C2)C1 ZINC001072973650 790343965 /nfs/dbraw/zinc/34/39/65/790343965.db2.gz XSHYAKXOWWWXKM-UHFFFAOYSA-N 0 3 323.440 2.397 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](F)c3ccccc3)C2)C1 ZINC001073019955 790393412 /nfs/dbraw/zinc/39/34/12/790393412.db2.gz CJXKZDBMRMTZKJ-MRXNPFEDSA-N 0 3 300.377 2.255 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3noc4c3CCCCC4)C2)C1 ZINC001073022513 790394713 /nfs/dbraw/zinc/39/47/13/790394713.db2.gz UQEUSVKZSOTYKI-UHFFFAOYSA-N 0 3 315.417 2.277 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H](O)C1 ZINC001090622854 790405006 /nfs/dbraw/zinc/40/50/06/790405006.db2.gz DPECKCLSGYQJRJ-NWDGAFQWSA-N 0 3 314.838 2.143 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(C)nn(CCC)c3C)C2)C1 ZINC001073111262 790462216 /nfs/dbraw/zinc/46/22/16/790462216.db2.gz XAZZCWUUXSTHCT-UHFFFAOYSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NCC(=O)NCCCC)C1 ZINC001209168519 776675237 /nfs/dbraw/zinc/67/52/37/776675237.db2.gz GBWWOSDTBCLLCG-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccnc(OC(C)C)c3)C2)C1 ZINC001073123252 790469926 /nfs/dbraw/zinc/46/99/26/790469926.db2.gz PKTDPVXMFYFHSR-UHFFFAOYSA-N 0 3 315.417 2.203 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)C(F)(F)F)C2)C1 ZINC001073139658 790481942 /nfs/dbraw/zinc/48/19/42/790481942.db2.gz QAZMSHMVFAZNKS-UHFFFAOYSA-N 0 3 302.340 2.133 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc4nc(C)ccc4o3)C2)C1 ZINC001073141622 790483125 /nfs/dbraw/zinc/48/31/25/790483125.db2.gz NVJVQNTVUHSZGO-UHFFFAOYSA-N 0 3 311.385 2.470 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1c1ccccc1 ZINC001211515575 777118620 /nfs/dbraw/zinc/11/86/20/777118620.db2.gz WHTFWNBDUJZUIB-JKSUJKDBSA-N 0 3 302.393 2.342 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccccn3)C(C)(C)[C@H]21 ZINC001087269598 777673178 /nfs/dbraw/zinc/67/31/78/777673178.db2.gz MJPYSFKNHSKTGJ-PVAVHDDUSA-N 0 3 311.429 2.324 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)sn3)C(C)(C)[C@@H]21 ZINC001087281246 777710724 /nfs/dbraw/zinc/71/07/24/777710724.db2.gz DOHHMRIKWHQDRR-BPLDGKMQSA-N 0 3 317.458 2.304 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3coc(C)n3)C(C)(C)[C@H]21 ZINC001087282713 777716419 /nfs/dbraw/zinc/71/64/19/777716419.db2.gz CLGWLVAYKWWRIF-KBMXLJTQSA-N 0 3 315.417 2.225 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccns3)C(C)(C)[C@H]21 ZINC001087288536 777733054 /nfs/dbraw/zinc/73/30/54/777733054.db2.gz YVMFKGNYJHAXNY-SNPRPXQTSA-N 0 3 317.458 2.385 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccsn3)C(C)(C)[C@H]21 ZINC001087291239 777739414 /nfs/dbraw/zinc/73/94/14/777739414.db2.gz QOBVHRHYGZXDGS-YUELXQCFSA-N 0 3 317.458 2.385 20 30 DEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3coc(OC)n3)C(C)(C)[C@H]21 ZINC001087299624 777747434 /nfs/dbraw/zinc/74/74/34/777747434.db2.gz ZOITZTLGHWAKHL-BNOWGMLFSA-N 0 3 319.405 2.088 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1c1ccccc1 ZINC001211642616 777911833 /nfs/dbraw/zinc/91/18/33/777911833.db2.gz MCIGHLMEVBKNJZ-DLBZAZTESA-N 0 3 314.404 2.344 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)[C@H](O)C1 ZINC001090825024 790577751 /nfs/dbraw/zinc/57/77/51/790577751.db2.gz PPDNMNUXWWADHW-GARNVTTQSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001090829699 790578872 /nfs/dbraw/zinc/57/88/72/790578872.db2.gz DWKKGHUDFIOMET-KGLIPLIRSA-N 0 3 308.447 2.052 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)c2occc2C)C[C@H]1C(F)(F)F ZINC001112046729 778162410 /nfs/dbraw/zinc/16/24/10/778162410.db2.gz MHAAELNZUHKEEJ-VXGBXAGGSA-N 0 3 314.307 2.204 20 30 DEEDHN CS[C@H](C)CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001125871631 778202441 /nfs/dbraw/zinc/20/24/41/778202441.db2.gz BLRXVODNVZRETA-LLVKDONJSA-N 0 3 309.410 2.045 20 30 DEEDHN C=CCCCNCc1cn(C2CN(C(=O)C(C)(C)CC)C2)nn1 ZINC001105317227 778442350 /nfs/dbraw/zinc/44/23/50/778442350.db2.gz OEDLCOZKLADWDT-UHFFFAOYSA-N 0 3 319.453 2.153 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)c2ccc[nH]2)C1 ZINC001090924124 790679379 /nfs/dbraw/zinc/67/93/79/790679379.db2.gz RLVCYCVHLAHRFM-UHFFFAOYSA-N 0 3 312.211 2.021 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3cc(C)ccc3F)[C@@H]2C1 ZINC001075792818 779255661 /nfs/dbraw/zinc/25/56/61/779255661.db2.gz QHJYHGJNYQPOON-GOEBONIOSA-N 0 3 318.392 2.232 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CC(C)C)OC)C[C@H]1C(F)(F)F ZINC001112161686 779293291 /nfs/dbraw/zinc/29/32/91/779293291.db2.gz YKSRMTKSBXDJJQ-UPJWGTAASA-N 0 3 322.371 2.212 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cnn3ccccc23)[C@H]1CC ZINC001087606817 779376492 /nfs/dbraw/zinc/37/64/92/779376492.db2.gz SHTLCMFQWBCSNA-JKSUJKDBSA-N 0 3 312.417 2.032 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C)c2CC)[C@H]1CC ZINC001087639424 779393449 /nfs/dbraw/zinc/39/34/49/779393449.db2.gz XFCOCPZYDLDLHL-GOEBONIOSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H]1CC ZINC001087655265 779397145 /nfs/dbraw/zinc/39/71/45/779397145.db2.gz RGHFAEOFOYLYIV-VVLHAWIVSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nc(OC)c2)[C@H]1CC ZINC001087704299 779412336 /nfs/dbraw/zinc/41/23/36/779412336.db2.gz NGHXYORHGRXLOD-LSDHHAIUSA-N 0 3 303.406 2.167 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nonc3c2)[C@H]1CC ZINC001087711253 779423112 /nfs/dbraw/zinc/42/31/12/779423112.db2.gz TUHXIBCAHDSZLQ-GOEBONIOSA-N 0 3 314.389 2.382 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1CC ZINC001087724886 779423772 /nfs/dbraw/zinc/42/37/72/779423772.db2.gz OKCZPCYLOHHFTI-UONOGXRCSA-N 0 3 301.390 2.158 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nnn(C(C)C)c2C)[C@H]1CC ZINC001087777309 779445988 /nfs/dbraw/zinc/44/59/88/779445988.db2.gz VHLNSHONSHPBAC-LSDHHAIUSA-N 0 3 319.453 2.326 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(CCC)on2)[C@H]1CC ZINC001087780328 779448291 /nfs/dbraw/zinc/44/82/91/779448291.db2.gz BHGRVATWJSXMPJ-GOEBONIOSA-N 0 3 303.406 2.233 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnoc2C2CC2)[C@H]1CC ZINC001087781835 779450124 /nfs/dbraw/zinc/45/01/24/779450124.db2.gz HKCNSYHRMOMTNK-LSDHHAIUSA-N 0 3 301.390 2.158 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)[C@H]1CC ZINC001087807303 779460944 /nfs/dbraw/zinc/46/09/44/779460944.db2.gz CZDQJMRFNVEDHX-DLBZAZTESA-N 0 3 315.417 2.414 20 30 DEEDHN Cc1ncccc1CN1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087962578 779574920 /nfs/dbraw/zinc/57/49/20/779574920.db2.gz XTOXIPPRZHHNDR-MOPGFXCFSA-N 0 3 323.440 2.084 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc4occc4c3)C[C@@H]2C1 ZINC001087974733 779586390 /nfs/dbraw/zinc/58/63/90/779586390.db2.gz MDGFORDLVPLYLG-SJORKVTESA-N 0 3 308.381 2.460 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)CC1 ZINC000984747785 779602086 /nfs/dbraw/zinc/60/20/86/779602086.db2.gz FJKHMDARNXXOLC-MQMHXKEQSA-N 0 3 320.462 2.269 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CC3CC(F)(F)C3)C[C@@H]2C1 ZINC001088017509 779636657 /nfs/dbraw/zinc/63/66/57/779636657.db2.gz FCAYFCVRQOHRON-CABCVRRESA-N 0 3 310.388 2.225 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)n3)C[C@@H]2C1 ZINC001088042203 779651523 /nfs/dbraw/zinc/65/15/23/779651523.db2.gz CLVNFCRMHHUGCR-SJORKVTESA-N 0 3 311.429 2.116 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001073580667 790727588 /nfs/dbraw/zinc/72/75/88/790727588.db2.gz HYZFUMCPSFIPJP-GFCCVEGCSA-N 0 3 312.797 2.330 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccco3)C[C@@H]2C1 ZINC001088137526 779723244 /nfs/dbraw/zinc/72/32/44/779723244.db2.gz RFBVBPVOCMLWDD-ZACQAIPSSA-N 0 3 314.429 2.262 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]2C1 ZINC001088184449 779763587 /nfs/dbraw/zinc/76/35/87/779763587.db2.gz DJVAYTALWCUAFU-KGLIPLIRSA-N 0 3 312.404 2.471 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001088187796 779765169 /nfs/dbraw/zinc/76/51/69/779765169.db2.gz QWWZMEDUGQNRKI-CVEARBPZSA-N 0 3 316.832 2.296 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001088236044 779792511 /nfs/dbraw/zinc/79/25/11/779792511.db2.gz JUDNRSXIIAYLDD-DLBZAZTESA-N 0 3 324.440 2.087 20 30 DEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC001088237726 779795025 /nfs/dbraw/zinc/79/50/25/779795025.db2.gz BKKBRUWFYMLTCD-SJORKVTESA-N 0 3 318.461 2.302 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CCCO2)C1 ZINC001088257831 779842218 /nfs/dbraw/zinc/84/22/18/779842218.db2.gz VOKVAURWTDOPEE-KBPBESRZSA-N 0 3 300.830 2.279 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CCCO2)C1 ZINC001088257833 779842390 /nfs/dbraw/zinc/84/23/90/779842390.db2.gz VOKVAURWTDOPEE-UONOGXRCSA-N 0 3 300.830 2.279 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc(C)n(C)n2)C1 ZINC001088274689 779896131 /nfs/dbraw/zinc/89/61/31/779896131.db2.gz ZTDVHNUVAQRDSA-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN Cc1oncc1CN[C@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088281083 779902159 /nfs/dbraw/zinc/90/21/59/779902159.db2.gz HMCMDUUTHJHNQD-DOMZBBRYSA-N 0 3 304.394 2.004 20 30 DEEDHN Cc1nocc1CN[C@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088281397 779903294 /nfs/dbraw/zinc/90/32/94/779903294.db2.gz MGTAPXYGCGWQPQ-DOMZBBRYSA-N 0 3 304.394 2.004 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NCc2cncs2)C1 ZINC001088282047 779903351 /nfs/dbraw/zinc/90/33/51/779903351.db2.gz YNMDDYUBTVEFCL-QWHCGFSZSA-N 0 3 306.435 2.164 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@H](NCc2ccc(F)cn2)C1 ZINC001088281386 779903523 /nfs/dbraw/zinc/90/35/23/779903523.db2.gz MEALFTUDMWCNQH-CJNGLKHVSA-N 0 3 318.396 2.241 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCCCC[C@H](NCc2cncs2)C1 ZINC001088282046 779903562 /nfs/dbraw/zinc/90/35/62/779903562.db2.gz YNMDDYUBTVEFCL-OLZOCXBDSA-N 0 3 306.435 2.164 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001088285492 779908145 /nfs/dbraw/zinc/90/81/45/779908145.db2.gz FSZVLGDURWVAPY-CQSZACIVSA-N 0 3 310.829 2.066 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cncnc2)C1 ZINC001088301424 779926274 /nfs/dbraw/zinc/92/62/74/779926274.db2.gz XSVSQOFIZAGNAK-CQSZACIVSA-N 0 3 308.813 2.204 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001073631358 790754399 /nfs/dbraw/zinc/75/43/99/790754399.db2.gz PKAHLBNRNNWPTK-ZIAGYGMSSA-N 0 3 316.392 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cccnn2)C1 ZINC001088403350 780074636 /nfs/dbraw/zinc/07/46/36/780074636.db2.gz QLYPBLXROZKPKE-ZDUSSCGKSA-N 0 3 308.813 2.204 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001073654317 790770583 /nfs/dbraw/zinc/77/05/83/790770583.db2.gz DWSGTENNYGHWIX-QZTJIDSGSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001073703202 790802410 /nfs/dbraw/zinc/80/24/10/790802410.db2.gz IQEWMOPKYIXFDA-MRXNPFEDSA-N 0 3 317.433 2.095 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCCN2CCC)[C@H]1C ZINC001088605122 780574801 /nfs/dbraw/zinc/57/48/01/780574801.db2.gz HUTSXXQVPUATLE-QLFBSQMISA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)/C(C)=C\C)C2)nn1 ZINC001098648977 780695027 /nfs/dbraw/zinc/69/50/27/780695027.db2.gz IRODMQVBOFBVDH-ZVRDQUNJSA-N 0 3 317.437 2.074 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2c(OC)cccc2OC)[C@H]1C ZINC001088712302 780897088 /nfs/dbraw/zinc/89/70/88/780897088.db2.gz DACXMUIKMYUTPV-HIFRSBDPSA-N 0 3 318.417 2.011 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H]1C ZINC001088738499 780923594 /nfs/dbraw/zinc/92/35/94/780923594.db2.gz CRAZYYVTTAHMFK-XBVQOTNRSA-N 0 3 306.450 2.204 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001073742767 790836678 /nfs/dbraw/zinc/83/66/78/790836678.db2.gz FDVMMBJTKRXVAC-OAHLLOKOSA-N 0 3 319.449 2.364 20 30 DEEDHN CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001112260052 780943057 /nfs/dbraw/zinc/94/30/57/780943057.db2.gz SYZGWVVXQPNNNJ-KXBFYZLASA-N 0 3 312.413 2.247 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2Cl)[C@H]1C ZINC001088775146 780973673 /nfs/dbraw/zinc/97/36/73/780973673.db2.gz FENWIRQCADNKFW-OCCSQVGLSA-N 0 3 322.840 2.333 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCc3cccnc32)[C@H]1C ZINC001088810824 781025290 /nfs/dbraw/zinc/02/52/90/781025290.db2.gz WRWGPISLPVYAEK-PVAVHDDUSA-N 0 3 311.429 2.104 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H]1C ZINC001088825159 781063822 /nfs/dbraw/zinc/06/38/22/781063822.db2.gz RMNZSYSXYHFILE-PBHICJAKSA-N 0 3 307.397 2.451 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCOC4)[C@@H]2C1 ZINC001076029624 781084603 /nfs/dbraw/zinc/08/46/03/781084603.db2.gz WBWDGCYGDWFBSJ-FUHWJXTLSA-N 0 3 312.413 2.092 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3nc(C)cs3)[C@@H]2C1 ZINC001076044339 781093989 /nfs/dbraw/zinc/09/39/89/781093989.db2.gz YMYIVPQEMFZMLE-UONOGXRCSA-N 0 3 305.447 2.103 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3sc(C)nc3C)[C@@H]2C1 ZINC001076063819 781105859 /nfs/dbraw/zinc/10/58/59/781105859.db2.gz GOTFZYMTNJZPEG-LSDHHAIUSA-N 0 3 319.474 2.411 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CN(CC)CC)CCC1 ZINC001076628679 781331092 /nfs/dbraw/zinc/33/10/92/781331092.db2.gz YABUFYFFBOSKTG-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001076929437 781427505 /nfs/dbraw/zinc/42/75/05/781427505.db2.gz HZKAFPARGXNSFA-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001083558693 781443312 /nfs/dbraw/zinc/44/33/12/781443312.db2.gz WKRZYNMXHRNKJQ-CVEARBPZSA-N 0 3 324.371 2.014 20 30 DEEDHN C#CCCOc1ccc(C(=O)NCCNCc2cccnc2)cc1 ZINC001127008803 781611552 /nfs/dbraw/zinc/61/15/52/781611552.db2.gz YXYYXTGGURFLHR-UHFFFAOYSA-N 0 3 323.396 2.003 20 30 DEEDHN C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001105836336 781823899 /nfs/dbraw/zinc/82/38/99/781823899.db2.gz IMYUJTSUZWQFFB-DGCLKSJQSA-N 0 3 308.809 2.442 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccoc2Cl)[C@H](OC)C1 ZINC001212175404 781864207 /nfs/dbraw/zinc/86/42/07/781864207.db2.gz OPRYXJXHHDVQCY-CHWSQXEVSA-N 0 3 312.797 2.328 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C[C@H]1C ZINC000947800772 783234615 /nfs/dbraw/zinc/23/46/15/783234615.db2.gz JRCMFPWCHAXJIY-GDBMZVCRSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(-n3cccc3)nc2)C[C@H]1C ZINC000947814150 783237378 /nfs/dbraw/zinc/23/73/78/783237378.db2.gz JFVDHUDLWBRVLV-NVXWUHKLSA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C[C@H]1C ZINC000947853698 783247210 /nfs/dbraw/zinc/24/72/10/783247210.db2.gz UZIHIMLPCORJDI-GDBMZVCRSA-N 0 3 316.449 2.208 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c3ccccc3nn2C)C[C@@H]1C ZINC000947894994 783259984 /nfs/dbraw/zinc/25/99/84/783259984.db2.gz FDNCRRKEIAGRJW-LSDHHAIUSA-N 0 3 324.428 2.179 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)C[C@H]1C ZINC000947922424 783269029 /nfs/dbraw/zinc/26/90/29/783269029.db2.gz XOYDTHYOBUZCEI-GDBMZVCRSA-N 0 3 316.449 2.378 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C ZINC000947988932 783286139 /nfs/dbraw/zinc/28/61/39/783286139.db2.gz GKSOISQMWJFBKY-RHSMWYFYSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)C[C@H]1C ZINC000948016471 783294154 /nfs/dbraw/zinc/29/41/54/783294154.db2.gz PGLRSBMIXZWMMM-CABCVRRESA-N 0 3 312.417 2.411 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)C[C@H]1C ZINC000948022837 783295814 /nfs/dbraw/zinc/29/58/14/783295814.db2.gz XWFLXNDGIVQWPH-GDBMZVCRSA-N 0 3 301.434 2.248 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000948025041 783295836 /nfs/dbraw/zinc/29/58/36/783295836.db2.gz AWPMRMLKDJYVNK-BEFAXECRSA-N 0 3 310.441 2.320 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cncnc1 ZINC001089633503 783302896 /nfs/dbraw/zinc/30/28/96/783302896.db2.gz JBXCCKFESQYYDW-HNNXBMFYSA-N 0 3 302.422 2.273 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncnc2C(C)C)C[C@H]1C ZINC000948047275 783303616 /nfs/dbraw/zinc/30/36/16/783303616.db2.gz BQMFNQCQRKXZNB-HUUCEWRRSA-N 0 3 314.433 2.206 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C[C@@H]1C ZINC000948094308 783318569 /nfs/dbraw/zinc/31/85/69/783318569.db2.gz JGRJNPKQTUUZGL-DOTOQJQBSA-N 0 3 313.445 2.359 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OCC)C[C@H]1C ZINC000948108140 783325730 /nfs/dbraw/zinc/32/57/30/783325730.db2.gz ASOJDNLUCGKXIZ-ZIAGYGMSSA-N 0 3 303.406 2.249 20 30 DEEDHN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659074 783329331 /nfs/dbraw/zinc/32/93/31/783329331.db2.gz SBJOHQPVDQOINY-DLBZAZTESA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001073876515 790933923 /nfs/dbraw/zinc/93/39/23/790933923.db2.gz FHHPARJFAOZWMM-QGZVFWFLSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001089696294 783361248 /nfs/dbraw/zinc/36/12/48/783361248.db2.gz XZNDDCXEEKCPMB-OAGGEKHMSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001089697403 783362279 /nfs/dbraw/zinc/36/22/79/783362279.db2.gz PJHLKEUJWBXWJG-OAHLLOKOSA-N 0 3 316.449 2.270 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001089697402 783362553 /nfs/dbraw/zinc/36/25/53/783362553.db2.gz PJHLKEUJWBXWJG-HNNXBMFYSA-N 0 3 316.449 2.270 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnnc1 ZINC001089704262 783369420 /nfs/dbraw/zinc/36/94/20/783369420.db2.gz UPEREKLXYRNERS-OAHLLOKOSA-N 0 3 302.422 2.273 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001073878746 790937805 /nfs/dbraw/zinc/93/78/05/790937805.db2.gz SPESIHABADABRK-SFHVURJKSA-N 0 3 314.429 2.093 20 30 DEEDHN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC001089734453 783400240 /nfs/dbraw/zinc/40/02/40/783400240.db2.gz QPUNSXOCNLLWHK-IRXDYDNUSA-N 0 3 319.493 2.101 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCCOCC2)CC1 ZINC000948329466 783429471 /nfs/dbraw/zinc/42/94/71/783429471.db2.gz FGORNJSODLLSTC-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ncc3ccccn32)CC1 ZINC000948611731 783527595 /nfs/dbraw/zinc/52/75/95/783527595.db2.gz BNVBPRCFJZHDDT-MRXNPFEDSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ncc(Cl)s2)CC1 ZINC000948612538 783529067 /nfs/dbraw/zinc/52/90/67/783529067.db2.gz PDROPSBOYZMJIL-LLVKDONJSA-N 0 3 311.838 2.356 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccn3ccnc3c2)CC1 ZINC000948613004 783529415 /nfs/dbraw/zinc/52/94/15/783529415.db2.gz UGRPZLNLYNGXJZ-KRWDZBQOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001073905051 790951113 /nfs/dbraw/zinc/95/11/13/790951113.db2.gz TUYDOCBBDCURHA-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2Cc3cccc(F)c3O2)CC1 ZINC001006434200 783559884 /nfs/dbraw/zinc/55/98/84/783559884.db2.gz HKSYANQTMPLCAT-MRXNPFEDSA-N 0 3 318.392 2.238 20 30 DEEDHN C#Cc1ccc(CN2CCC(NC(=O)c3ccncc3)CC2)cc1 ZINC001144580728 790954483 /nfs/dbraw/zinc/95/44/83/790954483.db2.gz GPAYJBKIGPMEFH-UHFFFAOYSA-N 0 3 319.408 2.457 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC000967033979 783864240 /nfs/dbraw/zinc/86/42/40/783864240.db2.gz QPRMXIVTRABBPA-RHSMWYFYSA-N 0 3 324.428 2.037 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1CC1CCC1 ZINC001085598653 783872824 /nfs/dbraw/zinc/87/28/24/783872824.db2.gz XPBABMDSALSTNR-MRXNPFEDSA-N 0 3 316.449 2.406 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncc(OC)cc1F ZINC001085633680 783915681 /nfs/dbraw/zinc/91/56/81/783915681.db2.gz XWJPASAFVRZXET-ZDUSSCGKSA-N 0 3 321.396 2.342 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC000967287811 783934126 /nfs/dbraw/zinc/93/41/26/783934126.db2.gz ISDFZTROHZCOCH-WBVHZDCISA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287824 783934719 /nfs/dbraw/zinc/93/47/19/783934719.db2.gz IVFIEXDPAZMZSB-DZGCQCFKSA-N 0 3 306.406 2.442 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC000967628467 784075323 /nfs/dbraw/zinc/07/53/23/784075323.db2.gz PJDKBAVAYIAORP-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967730196 784113018 /nfs/dbraw/zinc/11/30/18/784113018.db2.gz XJRHENGNPFUBTH-SMDDNHRTSA-N 0 3 321.808 2.199 20 30 DEEDHN C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2C[C@H](C)CC)nn1 ZINC001085864104 784150533 /nfs/dbraw/zinc/15/05/33/784150533.db2.gz RCPWLMJOGCKJDW-HUUCEWRRSA-N 0 3 319.453 2.047 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001085869403 784162398 /nfs/dbraw/zinc/16/23/98/784162398.db2.gz POMZJPKIDHKLME-ULQDDVLXSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccn2ccnc12 ZINC001085873343 784163023 /nfs/dbraw/zinc/16/30/23/784163023.db2.gz WTLTYHCECITSEJ-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncoc1-c1ccon1 ZINC001085929556 784225831 /nfs/dbraw/zinc/22/58/31/784225831.db2.gz ZFSUVHIVMQSCRZ-GFCCVEGCSA-N 0 3 316.361 2.052 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CC=CC3)C2)s1 ZINC000968177832 784246274 /nfs/dbraw/zinc/24/62/74/784246274.db2.gz XFGLWWLYXRCKGI-CYBMUJFWSA-N 0 3 301.415 2.276 20 30 DEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001085970142 784269836 /nfs/dbraw/zinc/26/98/36/784269836.db2.gz SYJMPAREMSHRRE-AWEZNQCLSA-N 0 3 314.389 2.392 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccncc2Cl)C1 ZINC000968331562 784294466 /nfs/dbraw/zinc/29/44/66/784294466.db2.gz PKYFLAMWWYXOTD-XJKSGUPXSA-N 0 3 319.836 2.127 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC000968353369 784316343 /nfs/dbraw/zinc/31/63/43/784316343.db2.gz FBOVDCPMSGHKDT-SWLSCSKDSA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnnc3ccccc32)C1 ZINC000968357636 784319688 /nfs/dbraw/zinc/31/96/88/784319688.db2.gz QHFGPRVSUKZTLR-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000968360614 784322162 /nfs/dbraw/zinc/32/21/62/784322162.db2.gz JWZSPGPXGSQAEW-WFASDCNBSA-N 0 3 303.406 2.112 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379545 784340511 /nfs/dbraw/zinc/34/05/11/784340511.db2.gz YSXUBEAQMMERIO-HUUCEWRRSA-N 0 3 304.438 2.019 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001086048471 784355638 /nfs/dbraw/zinc/35/56/38/784355638.db2.gz BJWOVEZJGOIYPZ-BJHJDKERSA-N 0 3 313.239 2.346 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001086063679 784373694 /nfs/dbraw/zinc/37/36/94/784373694.db2.gz CCSMQIOMFZMUQU-GRYCIOLGSA-N 0 3 315.255 2.426 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001086071606 784383868 /nfs/dbraw/zinc/38/38/68/784383868.db2.gz UVIHGSZEXMDCNP-MQYQWHSLSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NCC(=C)Cl)C1 ZINC001086089427 784401143 /nfs/dbraw/zinc/40/11/43/784401143.db2.gz YVPOGDZVTCKSHG-BARDWOONSA-N 0 3 312.841 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2onc3c2CCCC3)C1 ZINC001086147919 784440412 /nfs/dbraw/zinc/44/04/12/784440412.db2.gz JQYSSRFINBZSJZ-TXEJJXNPSA-N 0 3 323.824 2.404 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC000968560932 784464979 /nfs/dbraw/zinc/46/49/79/784464979.db2.gz GVHLANDYKQHHHT-DOTOQJQBSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001086182627 784470127 /nfs/dbraw/zinc/47/01/27/784470127.db2.gz FNKWFUHHHHZMGG-BYNSBNAKSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968578516 784476402 /nfs/dbraw/zinc/47/64/02/784476402.db2.gz GJKPOHDFCPAUIN-RHSMWYFYSA-N 0 3 300.402 2.159 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000968588021 784480855 /nfs/dbraw/zinc/48/08/55/784480855.db2.gz JISOPUMGSWNHKQ-YJBOKZPZSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000968588020 784481977 /nfs/dbraw/zinc/48/19/77/784481977.db2.gz JISOPUMGSWNHKQ-QAPCUYQASA-N 0 3 313.445 2.216 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001086204846 784486639 /nfs/dbraw/zinc/48/66/39/784486639.db2.gz MVDIWASVAJWXCT-TXEJJXNPSA-N 0 3 310.829 2.384 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001086207489 784489325 /nfs/dbraw/zinc/48/93/25/784489325.db2.gz VONPPLWPWOZPKY-BETUJISGSA-N 0 3 310.829 2.062 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001066462516 784528049 /nfs/dbraw/zinc/52/80/49/784528049.db2.gz HPGWGBCHPYJDBH-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)C3CCC3)C2)c1 ZINC001086289950 784548805 /nfs/dbraw/zinc/54/88/05/784548805.db2.gz RYVRGUFVVNQWHK-SAZUREKKSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC000968884978 784635738 /nfs/dbraw/zinc/63/57/38/784635738.db2.gz IJMQQXVUKBTIQP-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC000968944056 784662510 /nfs/dbraw/zinc/66/25/10/784662510.db2.gz DZJDPDHAPGAJQJ-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCCN1CC#CC ZINC000969065906 784712932 /nfs/dbraw/zinc/71/29/32/784712932.db2.gz ZZZRPUHQVFHYEI-SQNIBIBYSA-N 0 3 318.461 2.352 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc3c2OCC3)C1 ZINC001086486244 784773813 /nfs/dbraw/zinc/77/38/13/784773813.db2.gz MIUIRQKFUOSASH-MQMHXKEQSA-N 0 3 320.820 2.472 20 30 DEEDHN COc1cc(C(F)(F)N[C@@H](C)CN(C)C)c(C#N)c(Cl)n1 ZINC001155916197 784777861 /nfs/dbraw/zinc/77/78/61/784777861.db2.gz LVWCKOYMSBPUOG-QMMMGPOBSA-N 0 3 318.755 2.204 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cn(CC)nc2C)C1 ZINC001086491455 784786569 /nfs/dbraw/zinc/78/65/69/784786569.db2.gz IKLZOBBGSVYYAK-JOCQHMNTSA-N 0 3 310.829 2.062 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC001086528373 784918433 /nfs/dbraw/zinc/91/84/33/784918433.db2.gz JHKNPOWVFWIICR-CTYIDZIISA-N 0 3 322.840 2.144 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001007518230 784942271 /nfs/dbraw/zinc/94/22/71/784942271.db2.gz UCCCRGIWRBPTGO-INIZCTEOSA-N 0 3 312.417 2.034 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001007516978 784942383 /nfs/dbraw/zinc/94/23/83/784942383.db2.gz IJXRQXUJNJBSRY-LBPRGKRZSA-N 0 3 314.389 2.039 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007822395 785018510 /nfs/dbraw/zinc/01/85/10/785018510.db2.gz JOBNGXRAIMJPJE-HNNXBMFYSA-N 0 3 309.413 2.396 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001008626565 785253146 /nfs/dbraw/zinc/25/31/46/785253146.db2.gz DRWGWEWBINWSOG-ZDUSSCGKSA-N 0 3 314.389 2.440 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001008712135 785282182 /nfs/dbraw/zinc/28/21/82/785282182.db2.gz XSCVKTLPZRLTIU-SFHVURJKSA-N 0 3 323.440 2.280 20 30 DEEDHN Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@H](C)C#N)cs1 ZINC001169830467 785373647 /nfs/dbraw/zinc/37/36/47/785373647.db2.gz AFBFFABPDIMWBO-VXGBXAGGSA-N 0 3 308.451 2.376 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001009061245 785373939 /nfs/dbraw/zinc/37/39/39/785373939.db2.gz XLGZQASQWIYDPX-CQSZACIVSA-N 0 3 304.438 2.314 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001009071436 785378443 /nfs/dbraw/zinc/37/84/43/785378443.db2.gz FSKZGLMWIKSCFO-JKSUJKDBSA-N 0 3 324.428 2.201 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1sccc1COC ZINC001156403860 785418320 /nfs/dbraw/zinc/41/83/20/785418320.db2.gz QXCMFZPRJBCYHZ-CYBMUJFWSA-N 0 3 308.447 2.358 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001009363458 785439135 /nfs/dbraw/zinc/43/91/35/785439135.db2.gz ADNSXZHYDVIJAY-WMZOPIPTSA-N 0 3 312.413 2.252 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001009373501 785440011 /nfs/dbraw/zinc/44/00/11/785440011.db2.gz WKWRCCZORZUXAM-CYBMUJFWSA-N 0 3 308.401 2.028 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001009666540 785503727 /nfs/dbraw/zinc/50/37/27/785503727.db2.gz AZPKPDRBFYZDLK-CQSZACIVSA-N 0 3 311.385 2.354 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001009708780 785508814 /nfs/dbraw/zinc/50/88/14/785508814.db2.gz OIMPIBXHKDNUQU-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccs1)C2 ZINC001108862611 785585343 /nfs/dbraw/zinc/58/53/43/785585343.db2.gz WRSNFDXTDXYNIL-KBMXLJTQSA-N 0 3 320.458 2.215 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCC[C@@H](C)O)CCC1 ZINC001109393245 785845093 /nfs/dbraw/zinc/84/50/93/785845093.db2.gz YBRKZVAFMHBICS-NCOADZHNSA-N 0 3 318.461 2.063 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H]2CCN([C@H]3CCc4ccccc43)C2)c[nH]1 ZINC001010687716 785896969 /nfs/dbraw/zinc/89/69/69/785896969.db2.gz HHRYTZWTASDRPW-QAPCUYQASA-N 0 3 320.396 2.378 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)[C@@H](O)C1 ZINC001090433492 786129083 /nfs/dbraw/zinc/12/90/83/786129083.db2.gz QSLPRKHRDLKZNX-HOTGVXAUSA-N 0 3 322.836 2.390 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)C2 ZINC001110057949 786144887 /nfs/dbraw/zinc/14/48/87/786144887.db2.gz PKKQHUBVLBGEHM-LMSBXDPUSA-N 0 3 312.413 2.199 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)Cc1ccc(C)s1 ZINC001157119247 786164332 /nfs/dbraw/zinc/16/43/32/786164332.db2.gz RONKYFWZOQLRSF-CQSZACIVSA-N 0 3 322.474 2.075 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(CC2CCC(C)CC2)CC1 ZINC001112814237 786234373 /nfs/dbraw/zinc/23/43/73/786234373.db2.gz LCKRHBABTNOTTC-LEOMRAHMSA-N 0 3 308.466 2.284 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001112862516 786259454 /nfs/dbraw/zinc/25/94/54/786259454.db2.gz OJLUYTUCVDDWSY-CABCVRRESA-N 0 3 304.438 2.023 20 30 DEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001086586457 786511764 /nfs/dbraw/zinc/51/17/64/786511764.db2.gz VIEUUTGDLKIVGK-HRCADAONSA-N 0 3 318.367 2.249 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001014514119 786611850 /nfs/dbraw/zinc/61/18/50/786611850.db2.gz HMPHQNYYPHMOMU-MRXNPFEDSA-N 0 3 300.402 2.139 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001014529936 786622427 /nfs/dbraw/zinc/62/24/27/786622427.db2.gz RWISMCKYJNHBGD-CVEARBPZSA-N 0 3 300.402 2.147 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(OC)cc2C)C1 ZINC001014558463 786638455 /nfs/dbraw/zinc/63/84/55/786638455.db2.gz KAXBHARYEOFHLB-INIZCTEOSA-N 0 3 302.418 2.313 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC001113612772 786726840 /nfs/dbraw/zinc/72/68/40/786726840.db2.gz RYCJEEGUACOAGV-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001014749916 786736951 /nfs/dbraw/zinc/73/69/51/786736951.db2.gz QWTYAYQZHFBKGE-WBVHZDCISA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC001113673365 786756926 /nfs/dbraw/zinc/75/69/26/786756926.db2.gz OJXJIGQXFKSNFQ-AWEZNQCLSA-N 0 3 324.856 2.426 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015109551 786898900 /nfs/dbraw/zinc/89/89/00/786898900.db2.gz VTQOUHGPQAYACG-AWEZNQCLSA-N 0 3 304.821 2.405 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC001170408457 786947613 /nfs/dbraw/zinc/94/76/13/786947613.db2.gz FHPDNLVWRBYHDH-KGLIPLIRSA-N 0 3 302.846 2.430 20 30 DEEDHN C(#Cc1ccccc1)CNc1cncc(OCCN2CCCC2)n1 ZINC001170426283 787029109 /nfs/dbraw/zinc/02/91/09/787029109.db2.gz QECVAGCOUPJJLE-UHFFFAOYSA-N 0 3 322.412 2.415 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001015620251 787141597 /nfs/dbraw/zinc/14/15/97/787141597.db2.gz JDTIUSIDDVNNPB-ZDUSSCGKSA-N 0 3 306.793 2.176 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)OC1CCCCC1 ZINC001114280560 787196786 /nfs/dbraw/zinc/19/67/86/787196786.db2.gz KMXRPAPFCUYZJA-VVLHAWIVSA-N 0 3 306.450 2.347 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CCCCNCc1cnc(C)o1 ZINC001170452623 787221595 /nfs/dbraw/zinc/22/15/95/787221595.db2.gz AIBYOKAUGMTHTP-DYVFJYSZSA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC2CCC2)C1 ZINC001130373146 787362290 /nfs/dbraw/zinc/36/22/90/787362290.db2.gz GZTNILJKSVKKHE-CQSZACIVSA-N 0 3 302.422 2.191 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C1CC1)C2 ZINC001096007621 787448605 /nfs/dbraw/zinc/44/86/05/787448605.db2.gz CWGJEGQNIXDIEK-RDBSUJKOSA-N 0 3 301.390 2.463 20 30 DEEDHN Cc1cncc(CCC(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001131135878 787554129 /nfs/dbraw/zinc/55/41/29/787554129.db2.gz LMEJWFRNNQTLRV-UHFFFAOYSA-N 0 3 322.412 2.100 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3c(cccc3C)O1)C2 ZINC001096359468 787634070 /nfs/dbraw/zinc/63/40/70/787634070.db2.gz HGAWQVJVTXTDJR-QSOKESPWSA-N 0 3 324.424 2.043 20 30 DEEDHN COCC#CCNCCNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001131573977 787655140 /nfs/dbraw/zinc/65/51/40/787655140.db2.gz NQEDADCACRZATD-UHFFFAOYSA-N 0 3 316.401 2.004 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2nccc3occc32)cc1 ZINC001131607990 787661529 /nfs/dbraw/zinc/66/15/29/787661529.db2.gz WDVTUPYQIQGJAA-UHFFFAOYSA-N 0 3 320.352 2.219 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001096434764 787666188 /nfs/dbraw/zinc/66/61/88/787666188.db2.gz IHSZOWPMZZXDQB-SQNIBIBYSA-N 0 3 314.404 2.292 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCOC(C)C)C[C@@H](C)O2 ZINC001131629893 787666506 /nfs/dbraw/zinc/66/65/06/787666506.db2.gz ZAJXFUFKLQKIEC-AEFFLSMTSA-N 0 3 324.465 2.069 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C(C)(C)CC=C)C[C@@H](C)O2 ZINC001131687432 787684491 /nfs/dbraw/zinc/68/44/91/787684491.db2.gz AMDFQURBJZJAOJ-APWZRJJASA-N 0 3 318.461 2.304 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001131867125 787782115 /nfs/dbraw/zinc/78/21/15/787782115.db2.gz JSVUBTHAMFCWOV-MRXNPFEDSA-N 0 3 321.446 2.054 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001131976692 787849541 /nfs/dbraw/zinc/84/95/41/787849541.db2.gz NUUPWFHGRFORSW-IAGOWNOFSA-N 0 3 316.449 2.046 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cc[nH]c2CC)CC[C@H]1C ZINC001132012941 787892100 /nfs/dbraw/zinc/89/21/00/787892100.db2.gz FDDLLWSDSVUDMR-CABCVRRESA-N 0 3 319.449 2.362 20 30 DEEDHN CC(C)OCCCN1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132034206 787898091 /nfs/dbraw/zinc/89/80/91/787898091.db2.gz PISHXQBTFGYHRG-NVXWUHKLSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cnn(C)c2C)CC[C@@H]1C ZINC001132069202 787914043 /nfs/dbraw/zinc/91/40/43/787914043.db2.gz QOBJBFTVUPKXFR-YOEHRIQHSA-N 0 3 318.465 2.206 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCc2ncc(C)o2)CC[C@@H]1C ZINC001132087025 787929158 /nfs/dbraw/zinc/92/91/58/787929158.db2.gz LSHVAFREYOOJNC-DZGCQCFKSA-N 0 3 305.422 2.461 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2ccnc(C)n2)CC[C@H]1C ZINC001132199444 787970840 /nfs/dbraw/zinc/97/08/40/787970840.db2.gz IMXQVBOZJBQYLI-PBHICJAKSA-N 0 3 316.449 2.263 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCc2c(C)nn(C)c2C)CC[C@H]1C ZINC001132203525 787972636 /nfs/dbraw/zinc/97/26/36/787972636.db2.gz QLUYGYIAJWVATF-CJNGLKHVSA-N 0 3 318.465 2.125 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C ZINC001132238211 787990078 /nfs/dbraw/zinc/99/00/78/787990078.db2.gz PRVAPBOWXJKUPT-UHDSXZAQSA-N 0 3 306.450 2.204 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)CC(C)(F)F)CC[C@H]1C ZINC001132297039 788016881 /nfs/dbraw/zinc/01/68/81/788016881.db2.gz YTSGFDOPPOCNOX-OLZOCXBDSA-N 0 3 304.381 2.203 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132316069 788025134 /nfs/dbraw/zinc/02/51/34/788025134.db2.gz YSPQNYUKVWUDKE-CABCVRRESA-N 0 3 312.429 2.298 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)CC[C@@H]1C ZINC001132326644 788035078 /nfs/dbraw/zinc/03/50/78/788035078.db2.gz GQQZHOVCQXQLNW-HOCLYGCPSA-N 0 3 319.449 2.417 20 30 DEEDHN C#CCN1C[C@H](NC(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001132366166 788042639 /nfs/dbraw/zinc/04/26/39/788042639.db2.gz XHYBLUDEIRSWDH-DLBZAZTESA-N 0 3 307.482 2.101 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCCNC(C)=O)CC[C@H]1C ZINC001132472538 788090154 /nfs/dbraw/zinc/09/01/54/788090154.db2.gz IKIBMNVXEPRXRO-WBVHZDCISA-N 0 3 323.481 2.228 20 30 DEEDHN COCCN1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132504968 788108686 /nfs/dbraw/zinc/10/86/86/788108686.db2.gz OIXZRQDTZHTCMQ-FUHWJXTLSA-N 0 3 314.429 2.044 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001132521254 788116528 /nfs/dbraw/zinc/11/65/28/788116528.db2.gz AKNXIQAQYZRDPN-KBPBESRZSA-N 0 3 301.862 2.048 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CN(C)c2ccccc2)CC[C@@H]1C ZINC001132543051 788118970 /nfs/dbraw/zinc/11/89/70/788118970.db2.gz USBHSMOXDUMUQU-DLBZAZTESA-N 0 3 313.445 2.115 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1onc3c1CCCC3)C2 ZINC001097542687 788130455 /nfs/dbraw/zinc/13/04/55/788130455.db2.gz RUXHFVJJWLQUBG-WQVCFCJDSA-N 0 3 315.417 2.465 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC001132663254 788158984 /nfs/dbraw/zinc/15/89/84/788158984.db2.gz SQGXUSYCKTVGPC-CABCVRRESA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001132698361 788172277 /nfs/dbraw/zinc/17/22/77/788172277.db2.gz XZAFIZIOVBGRGU-GDBMZVCRSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1F)C2 ZINC001097929504 788275359 /nfs/dbraw/zinc/27/53/59/788275359.db2.gz JDEZEIQUUOTQEM-XYPHTWIQSA-N 0 3 300.377 2.493 20 30 DEEDHN CC(C)[C@H](C(=O)NC[C@@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001097971065 788300951 /nfs/dbraw/zinc/30/09/51/788300951.db2.gz DGNQSUBAWKDLNN-MLGOLLRUSA-N 0 3 320.412 2.200 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1ccc2nonc2c1 ZINC001133380956 788394241 /nfs/dbraw/zinc/39/42/41/788394241.db2.gz SNBITFLHIBKBCO-MRXNPFEDSA-N 0 3 302.378 2.031 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2CCC(F)CC2)ccc1F ZINC001133383778 788397011 /nfs/dbraw/zinc/39/70/11/788397011.db2.gz YNHYYWRJTAAVNR-UHFFFAOYSA-N 0 3 321.371 2.431 20 30 DEEDHN CCOCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133622346 788529814 /nfs/dbraw/zinc/52/98/14/788529814.db2.gz GBXWJASOCBJUTM-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC001133912778 788666243 /nfs/dbraw/zinc/66/62/43/788666243.db2.gz GXXKPCZQCJPJIH-HUUCEWRRSA-N 0 3 322.453 2.040 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1 ZINC001134129731 788768051 /nfs/dbraw/zinc/76/80/51/788768051.db2.gz PGRIJNFWAMFLCU-HZPDHXFCSA-N 0 3 309.369 2.161 20 30 DEEDHN CCc1nocc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134341987 788867665 /nfs/dbraw/zinc/86/76/65/788867665.db2.gz XETIVEQTCBEWCI-ZIAGYGMSSA-N 0 3 305.422 2.269 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134410448 788917718 /nfs/dbraw/zinc/91/77/18/788917718.db2.gz QSLRMFNHLBDKLR-UHFFFAOYSA-N 0 3 305.378 2.403 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001134411824 788918093 /nfs/dbraw/zinc/91/80/93/788918093.db2.gz IBKPLMZALJKYJA-UHFFFAOYSA-N 0 3 306.454 2.446 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(OC)no1 ZINC001134476653 788951313 /nfs/dbraw/zinc/95/13/13/788951313.db2.gz VOWHVYWVBOILSU-CHWSQXEVSA-N 0 3 309.410 2.412 20 30 DEEDHN C=CCCC(=O)NC1(CC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001069424649 789040642 /nfs/dbraw/zinc/04/06/42/789040642.db2.gz GNLGLQYPLVCXPS-UHFFFAOYSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(OC)no1 ZINC001135224301 789248027 /nfs/dbraw/zinc/24/80/27/789248027.db2.gz AWRIERPONPPRLQ-KGLIPLIRSA-N 0 3 321.421 2.250 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1snnc1C ZINC001135235309 789253257 /nfs/dbraw/zinc/25/32/57/789253257.db2.gz JCMFELNRGBSSNS-WDEREUQCSA-N 0 3 310.467 2.432 20 30 DEEDHN C=CCN(CC=C)C(=O)CNCCNC(=O)CCCCC(C)C ZINC001135507864 789368413 /nfs/dbraw/zinc/36/84/13/789368413.db2.gz AHDHZKACPQDQNX-UHFFFAOYSA-N 0 3 323.481 2.109 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(C3CC3)CC1)C[C@H](C)O2 ZINC001071178521 789578569 /nfs/dbraw/zinc/57/85/69/789578569.db2.gz QVKNIOJNQOJSKB-YJBOKZPZSA-N 0 3 318.461 2.445 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(=C)C)C[C@H](C)O2 ZINC001071199359 789587311 /nfs/dbraw/zinc/58/73/11/789587311.db2.gz KVZRVTHTJMFVIN-QFBILLFUSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)C1(CC)CCC1)C[C@@H](C)O2 ZINC001071200549 789588218 /nfs/dbraw/zinc/58/82/18/789588218.db2.gz YWCLBYPDVCDWCH-APWZRJJASA-N 0 3 318.461 2.282 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001071260873 789614341 /nfs/dbraw/zinc/61/43/41/789614341.db2.gz HGNNWHDLDRGPCD-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001071357748 789680029 /nfs/dbraw/zinc/68/00/29/789680029.db2.gz NKNLTKPLVFDZME-OAGGEKHMSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN1C[C@H](NC(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001071509032 789748758 /nfs/dbraw/zinc/74/87/58/789748758.db2.gz WPIFMXUAZXSKHW-IAGOWNOFSA-N 0 3 319.493 2.243 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn3c(C)cnc3c2)CC[C@@H]1C ZINC001071512557 789751970 /nfs/dbraw/zinc/75/19/70/789751970.db2.gz ZFMFURVBWOELHR-WMLDXEAASA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(F)cc2F)CC[C@H]1C ZINC001071520405 789755703 /nfs/dbraw/zinc/75/57/03/789755703.db2.gz CZBBMUXPBBGQIG-CZUORRHYSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(CC(C)C)n2)CC[C@H]1C ZINC001071543749 789769791 /nfs/dbraw/zinc/76/97/91/789769791.db2.gz NERKJCQRAUILET-HZPDHXFCSA-N 0 3 316.449 2.145 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@H]1C ZINC001071610543 789814248 /nfs/dbraw/zinc/81/42/48/789814248.db2.gz UVXQZNPXFMOMIG-DOMZBBRYSA-N 0 3 319.474 2.295 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)cc(=O)oc2C)CC[C@H]1C ZINC001071667134 789851757 /nfs/dbraw/zinc/85/17/57/789851757.db2.gz UMONIJBFFAYRNS-UKRRQHHQSA-N 0 3 318.417 2.415 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)CC[C@H]1C ZINC001071675152 789856465 /nfs/dbraw/zinc/85/64/65/789856465.db2.gz CHWBSVAJTGWCKL-CJNGLKHVSA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nccc3occc32)CC[C@H]1C ZINC001071698290 789873325 /nfs/dbraw/zinc/87/33/25/789873325.db2.gz NMNFAPBDUFPWAS-ZIAGYGMSSA-N 0 3 311.385 2.434 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)on2)CC[C@H]1C ZINC001071705032 789877560 /nfs/dbraw/zinc/87/75/60/789877560.db2.gz JULMVKJZQAJOSX-KGLIPLIRSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)on2)CC[C@H]1C ZINC001071705034 789878081 /nfs/dbraw/zinc/87/80/81/789878081.db2.gz JULMVKJZQAJOSX-ZIAGYGMSSA-N 0 3 303.406 2.404 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)CC[C@H]1C ZINC001071720918 789888305 /nfs/dbraw/zinc/88/83/05/789888305.db2.gz JMYFMTSZIXXPIO-ZIAGYGMSSA-N 0 3 303.406 2.173 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnnc3ccccc32)CC[C@H]1C ZINC001071855873 789944369 /nfs/dbraw/zinc/94/43/69/789944369.db2.gz YHNCIEFLSVRQEU-HUUCEWRRSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)nc2OC)CC[C@@H]1C ZINC001071881522 789956248 /nfs/dbraw/zinc/95/62/48/789956248.db2.gz ZDTHHJUCSJKIBS-LSDHHAIUSA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3[nH]cnc32)CC[C@@H]1C ZINC001071924365 789975466 /nfs/dbraw/zinc/97/54/66/789975466.db2.gz VVOOZZAXHLEZDQ-UONOGXRCSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc(OC)n2)CC[C@H]1C ZINC001071953910 789985742 /nfs/dbraw/zinc/98/57/42/789985742.db2.gz HEIZSQWRUMHIES-ZIAGYGMSSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(C(C)C)c2)CC[C@H]1C ZINC001071985246 789998109 /nfs/dbraw/zinc/99/81/09/789998109.db2.gz KSAAVJUWZWIMES-ZBFHGGJFSA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnccc2N(C)C)CC[C@H]1C ZINC001072000165 790006716 /nfs/dbraw/zinc/00/67/16/790006716.db2.gz VGSBJQRWRXAKFT-HUUCEWRRSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccccc2F)CC[C@@H]1C ZINC001072034461 790024119 /nfs/dbraw/zinc/02/41/19/790024119.db2.gz YYPMVJWBADPBBS-HOCLYGCPSA-N 0 3 302.393 2.361 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(C)nc2)CC[C@H]1C ZINC001072084802 790045732 /nfs/dbraw/zinc/04/57/32/790045732.db2.gz IVOAHKQXQUXJEP-WBVHZDCISA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCN1CC[C@H](CN(Cc2scnc2C)C(=O)C2CC2)C1 ZINC001072134401 790065706 /nfs/dbraw/zinc/06/57/06/790065706.db2.gz NTDICTYTDKDNHW-AWEZNQCLSA-N 0 3 317.458 2.145 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001072341052 790119806 /nfs/dbraw/zinc/11/98/06/790119806.db2.gz QQLWHCYATXHYRR-LSDHHAIUSA-N 0 3 318.465 2.207 20 30 DEEDHN Cc1cc(CN2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)cs1 ZINC001072553365 790175682 /nfs/dbraw/zinc/17/56/82/790175682.db2.gz YIDNTAIUCKYSMP-LBPRGKRZSA-N 0 3 303.431 2.251 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3CCC[C@@H](OC)C3)C2)C1 ZINC001072805973 790252904 /nfs/dbraw/zinc/25/29/04/790252904.db2.gz WDKVWFOFKRXOMF-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cn4cc(C)nc4s3)C2)C1 ZINC001072813640 790256212 /nfs/dbraw/zinc/25/62/12/790256212.db2.gz ZRABANZWNZGFPS-UHFFFAOYSA-N 0 3 316.430 2.038 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001146247995 791243612 /nfs/dbraw/zinc/24/36/12/791243612.db2.gz RULHCFVYGKGTTL-OAHLLOKOSA-N 0 3 322.449 2.054 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001074801146 791313781 /nfs/dbraw/zinc/31/37/81/791313781.db2.gz LUHBRILFNKVSRV-GDLCADMTSA-N 0 3 309.410 2.447 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2ccsc2)[C@H](O)C1 ZINC001099885260 791350491 /nfs/dbraw/zinc/35/04/91/791350491.db2.gz KOCLUMUMFWQPIR-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CC23CCCC3)s1 ZINC001146747602 791361132 /nfs/dbraw/zinc/36/11/32/791361132.db2.gz WTOQGTIOGXRIDM-CQSZACIVSA-N 0 3 303.431 2.406 20 30 DEEDHN Cc1[nH]nc(C(C)C)c1C(=O)NCCNCC#Cc1ccccc1 ZINC001147109975 791457892 /nfs/dbraw/zinc/45/78/92/791457892.db2.gz ZVHTWCVFODHTOH-UHFFFAOYSA-N 0 3 324.428 2.213 20 30 DEEDHN Cc1n[nH]c(C(C)C)c1C(=O)NCCNCC#Cc1ccccc1 ZINC001147109975 791457895 /nfs/dbraw/zinc/45/78/95/791457895.db2.gz ZVHTWCVFODHTOH-UHFFFAOYSA-N 0 3 324.428 2.213 20 30 DEEDHN C=CCCC(=O)N1CC2(C1)CCN(CCOCC1CCC1)C2 ZINC001147186717 791481999 /nfs/dbraw/zinc/48/19/99/791481999.db2.gz BEYVSANMKXQHDJ-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCN(Cc1ncccc1C)C2 ZINC001147441705 791547031 /nfs/dbraw/zinc/54/70/31/791547031.db2.gz ZLDBIIWBAXNVND-UHFFFAOYSA-N 0 3 311.429 2.228 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)C=C)C[C@@H](C)O2 ZINC001098619585 791663485 /nfs/dbraw/zinc/66/34/85/791663485.db2.gz HVIHTLWQUTXKKP-OAHLLOKOSA-N 0 3 306.450 2.467 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)CC)C2)nn1 ZINC001098623015 791665030 /nfs/dbraw/zinc/66/50/30/791665030.db2.gz VNFVPDATJLLDHL-GOEBONIOSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C3(CC=C)CCOCC3)C2)C1 ZINC001148690757 791787767 /nfs/dbraw/zinc/78/77/67/791787767.db2.gz NQHWDKZXAZTMPS-UHFFFAOYSA-N 0 3 304.434 2.080 20 30 DEEDHN CCN1CCN(c2ccc(C(=O)N/C(C)=C\C(C)=O)cc2)CC1 ZINC001149005496 791823351 /nfs/dbraw/zinc/82/33/51/791823351.db2.gz HMRKFRNGMBYCQS-YPKPFQOOSA-N 0 3 315.417 2.051 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)Cc3cncs3)C2)CC1 ZINC001086927645 791853935 /nfs/dbraw/zinc/85/39/35/791853935.db2.gz HZNLTAVKRQEBAU-AWEZNQCLSA-N 0 3 317.458 2.022 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc(F)c[nH]3)C2)CC1 ZINC001086932728 791860107 /nfs/dbraw/zinc/86/01/07/791860107.db2.gz SICXIXHGJQFSTG-CYBMUJFWSA-N 0 3 303.381 2.104 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@]2(C)C1 ZINC001091877675 791897463 /nfs/dbraw/zinc/89/74/63/791897463.db2.gz MKKVTEMSJQZNPY-KMOPNRPKSA-N 0 3 300.446 2.226 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)C[C@]2(C)C1 ZINC001091992738 791914060 /nfs/dbraw/zinc/91/40/60/791914060.db2.gz DZCBJAVWQSXAKX-NBMJBFSESA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4cnccc4c3)C[C@]2(C)C1 ZINC001092175526 791937621 /nfs/dbraw/zinc/93/76/21/791937621.db2.gz SQYQNJYNBTVUQK-QUCCMNQESA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3sccc3OC)C[C@]2(C)C1 ZINC001092218767 791949011 /nfs/dbraw/zinc/94/90/11/791949011.db2.gz SXTYOEVBVGDLSL-DYVFJYSZSA-N 0 3 318.442 2.174 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001098862685 791967248 /nfs/dbraw/zinc/96/72/48/791967248.db2.gz BYGNUIYVEJNJCD-KSSFIOAISA-N 0 3 316.449 2.408 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001098887892 791975775 /nfs/dbraw/zinc/97/57/75/791975775.db2.gz UGAJPHDREKYMFS-KSSFIOAISA-N 0 3 310.401 2.333 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001098922679 791985479 /nfs/dbraw/zinc/98/54/79/791985479.db2.gz RZQNOFHYPHBFMB-LIRRHRJNSA-N 0 3 322.412 2.171 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1CCn1cccn1 ZINC001098966235 792005403 /nfs/dbraw/zinc/00/54/03/792005403.db2.gz IOLOQKAHOOKQCI-MRXNPFEDSA-N 0 3 318.465 2.456 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2nc(Cl)cs2)C1 ZINC001098996291 792025146 /nfs/dbraw/zinc/02/51/46/792025146.db2.gz YQUHAXWMWHQLCE-NHYWBVRUSA-N 0 3 323.849 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2(C)CCCCC2)[C@@H](O)C1 ZINC001099913345 792048668 /nfs/dbraw/zinc/04/86/68/792048668.db2.gz GHABAANEQQRNNN-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C[C@H](O)CN1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099069680 792073118 /nfs/dbraw/zinc/07/31/18/792073118.db2.gz LAERFBLRCOAPOQ-GJZGRUSLSA-N 0 3 308.466 2.024 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2sc(C3CC3)nc2C)[C@H](C)C1 ZINC001092604253 792082490 /nfs/dbraw/zinc/08/24/90/792082490.db2.gz BGIKFWVYUWXCIX-BXUZGUMPSA-N 0 3 317.458 2.260 20 30 DEEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099093141 792089113 /nfs/dbraw/zinc/08/91/13/792089113.db2.gz MMUZZOUKZRCKSH-MRXNPFEDSA-N 0 3 308.466 2.354 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001099113137 792100429 /nfs/dbraw/zinc/10/04/29/792100429.db2.gz IAUTUOBQCWDVHD-WMZOPIPTSA-N 0 3 314.433 2.063 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3c(o2)CCCC3)[C@H](C)C1 ZINC001092671329 792109127 /nfs/dbraw/zinc/10/91/27/792109127.db2.gz DQWWZUYCUZJRMW-UKRRQHHQSA-N 0 3 300.402 2.089 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c(F)cc(C)cc2F)[C@H](C)C1 ZINC001092808689 792132603 /nfs/dbraw/zinc/13/26/03/792132603.db2.gz JITBBXOAJDSGON-CHWSQXEVSA-N 0 3 306.356 2.204 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2csnc2C)C[C@H]1C(F)(F)F ZINC001099240088 792147492 /nfs/dbraw/zinc/14/74/92/792147492.db2.gz DEEJOMGDMPQOCA-GHMZBOCLSA-N 0 3 319.352 2.230 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C(F)(F)F ZINC001099326323 792172307 /nfs/dbraw/zinc/17/23/07/792172307.db2.gz ICVHXGOUGOIFOW-NXEZZACHSA-N 0 3 318.295 2.067 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc(Cl)c2F)[C@H](C)C1 ZINC001092931243 792178880 /nfs/dbraw/zinc/17/88/80/792178880.db2.gz JFUDXABGHROQTC-VXGBXAGGSA-N 0 3 308.784 2.410 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCCC(=O)NC ZINC001099358789 792182578 /nfs/dbraw/zinc/18/25/78/792182578.db2.gz KXHUJMHCQIJRKS-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccs2)C1 ZINC001099397351 792195289 /nfs/dbraw/zinc/19/52/89/792195289.db2.gz FVDTXBSATNXVGE-WWGRRREGSA-N 0 3 318.446 2.021 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CC(F)(F)F)CC2(CCOCC2)C1 ZINC001099569867 792245837 /nfs/dbraw/zinc/24/58/37/792245837.db2.gz HDZKMKLPPDONSO-GFCCVEGCSA-N 0 3 320.355 2.112 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001093353475 792336441 /nfs/dbraw/zinc/33/64/41/792336441.db2.gz AGSLFRFIBYDURI-KRWDZBQOSA-N 0 3 311.429 2.355 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001093361970 792341676 /nfs/dbraw/zinc/34/16/76/792341676.db2.gz OKIFNDBYVCMMPX-IAGOWNOFSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099975513 792425731 /nfs/dbraw/zinc/42/57/31/792425731.db2.gz CQURLSKCWYVJBF-MSOLQXFVSA-N 0 3 316.445 2.403 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)CCCC2CCCCC2)[C@@H](O)C1 ZINC001100096529 792471265 /nfs/dbraw/zinc/47/12/65/792471265.db2.gz ISDQCUCBTYXOKA-ROUUACIJSA-N 0 3 320.477 2.312 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC(=C)C)C[C@@H]2O)CCCC1 ZINC001100145592 792485888 /nfs/dbraw/zinc/48/58/88/792485888.db2.gz NFXXJLCBCORWRY-CVEARBPZSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCC(=C)Br)C1 ZINC001100170515 792497189 /nfs/dbraw/zinc/49/71/89/792497189.db2.gz RGZITGBPXSUFFK-UHFFFAOYSA-N 0 3 301.228 2.346 20 30 DEEDHN C=CCOCC(=O)NCC1CC(NCc2cc(F)ccc2F)C1 ZINC001100186659 792506941 /nfs/dbraw/zinc/50/69/41/792506941.db2.gz FIWKRROBEMUDFI-UHFFFAOYSA-N 0 3 324.371 2.152 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCc2c(C)onc2CC)C1 ZINC001100283493 792564169 /nfs/dbraw/zinc/56/41/69/792564169.db2.gz NUDKMIOLEGAZPG-UHFFFAOYSA-N 0 3 317.433 2.333 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCc2cncc(F)c2)C1 ZINC001100283896 792564495 /nfs/dbraw/zinc/56/44/95/792564495.db2.gz YHEUWVMKZGLXSB-UHFFFAOYSA-N 0 3 303.381 2.009 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CC(N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001100367434 792614213 /nfs/dbraw/zinc/61/42/13/792614213.db2.gz HDLXFOJNTPVNDJ-XGNXJENSSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCCCCC[NH2+]C1CC(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001100430632 792645139 /nfs/dbraw/zinc/64/51/39/792645139.db2.gz IKIQRRLGOIJIRS-UHFFFAOYSA-N 0 3 318.421 2.027 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(COC)CCC2)C1 ZINC001100513826 792698250 /nfs/dbraw/zinc/69/82/50/792698250.db2.gz OJXVWUCYBDRSIW-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001100587349 792733070 /nfs/dbraw/zinc/73/30/70/792733070.db2.gz NUERAPGSGAITGP-MCIGGMRASA-N 0 3 321.234 2.374 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc[nH]c3C3CC3)CCC[C@@H]12 ZINC001094498424 792941445 /nfs/dbraw/zinc/94/14/45/792941445.db2.gz GMQSEPONFCIESE-VQIMIIECSA-N 0 3 311.429 2.500 20 30 DEEDHN CCC[C@@H](C)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101164934 793050164 /nfs/dbraw/zinc/05/01/64/793050164.db2.gz GJZRAEGKQANWJL-LMMKCTJWSA-N 0 3 320.477 2.243 20 30 DEEDHN CCCCCCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101452986 793167113 /nfs/dbraw/zinc/16/71/13/793167113.db2.gz PONYSUUEEDNUNT-MJGOQNOKSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCC[C@@H](C)N1CC2(C1)C[C@@H](NC(=O)C1CC1)c1nccn12 ZINC001101599647 793262941 /nfs/dbraw/zinc/26/29/41/793262941.db2.gz RXEOVAYWMNMGPM-UKRRQHHQSA-N 0 3 314.433 2.220 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)C(C)(C)F ZINC001101678725 793312684 /nfs/dbraw/zinc/31/26/84/793312684.db2.gz HTGVFHGUVALXHE-NVXWUHKLSA-N 0 3 316.420 2.470 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101794960 793380018 /nfs/dbraw/zinc/38/00/18/793380018.db2.gz HNEGOFWEULDYHJ-ZQXYTJGRSA-N 0 3 314.857 2.404 20 30 DEEDHN C[C@@H](CCCC#N)n1cc(Br)ccc1=NCCN ZINC001172487205 793433007 /nfs/dbraw/zinc/43/30/07/793433007.db2.gz GBKAFKWVMFQSAL-NSHDSACASA-N 0 3 311.227 2.365 20 30 DEEDHN C[C@@H](CCCC#N)NCc1cc(OC2CCOCC2)ncn1 ZINC001172488676 793436719 /nfs/dbraw/zinc/43/67/19/793436719.db2.gz VQAFACVKLGFNNT-ZDUSSCGKSA-N 0 3 304.394 2.206 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1C ZINC001101919315 793439670 /nfs/dbraw/zinc/43/96/70/793439670.db2.gz GJWWKLCTMTXOHC-UKRRQHHQSA-N 0 3 319.474 2.439 20 30 DEEDHN Cc1cncc(CN2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)c1 ZINC001101946848 793455449 /nfs/dbraw/zinc/45/54/49/793455449.db2.gz MRVARTGHKCKJLM-SJLPKXTDSA-N 0 3 313.445 2.234 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CN(Cc2nccnc2C)C[C@H]1C ZINC001102011868 793478194 /nfs/dbraw/zinc/47/81/94/793478194.db2.gz VBWYTLGBUMRWFW-GDBMZVCRSA-N 0 3 316.449 2.325 20 30 DEEDHN N#Cc1ccc(C(=O)N2CCC(N3CC[C@H](F)C3)CC2)cc1 ZINC001173430740 793730875 /nfs/dbraw/zinc/73/08/75/793730875.db2.gz YKDYXONQWPNBRD-HNNXBMFYSA-N 0 3 301.365 2.207 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001103040381 793906049 /nfs/dbraw/zinc/90/60/49/793906049.db2.gz SSRQOWWZNPNEJD-HZPDHXFCSA-N 0 3 318.465 2.351 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](CC)N(C)C)Nc1cccc(F)c1C#N ZINC001103137498 793952293 /nfs/dbraw/zinc/95/22/93/793952293.db2.gz LJROHFBZZKPZPN-MLGOLLRUSA-N 0 3 320.412 2.344 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103678340 794188595 /nfs/dbraw/zinc/18/85/95/794188595.db2.gz MVOCPKLVUQKGOO-CRAIPNDOSA-N 0 3 316.420 2.254 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@H]1C ZINC001104013045 794346902 /nfs/dbraw/zinc/34/69/02/794346902.db2.gz KEOIICMOAQTKSQ-TZMCWYRMSA-N 0 3 324.856 2.343 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@H]1C ZINC001104060034 794364036 /nfs/dbraw/zinc/36/40/36/794364036.db2.gz KBQCBUCHIOMKOF-BXUZGUMPSA-N 0 3 324.856 2.087 20 30 DEEDHN CC(C)COCCN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111740957 794464383 /nfs/dbraw/zinc/46/43/83/794464383.db2.gz VNCJGXKAEGYDCY-HKUYNNGSSA-N 0 3 318.461 2.043 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](CC)OC)C1 ZINC001112068378 794553495 /nfs/dbraw/zinc/55/34/95/794553495.db2.gz VRKHUUIIZOZVTD-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@]2(C)C=CCC2)C[C@H]1C(F)(F)F ZINC001112145461 794563768 /nfs/dbraw/zinc/56/37/68/794563768.db2.gz ULSFONKRSPPYEL-NFAWXSAZSA-N 0 3 314.351 2.345 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCCCNCc1cc(F)ccc1F ZINC001177268986 794629215 /nfs/dbraw/zinc/62/92/15/794629215.db2.gz CBJWKWBCILYPBO-GFCCVEGCSA-N 0 3 312.360 2.152 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOc1ccccc1CC ZINC001115104604 794679375 /nfs/dbraw/zinc/67/93/75/794679375.db2.gz WFJRXJGKGYOPRL-MNZLEMJZSA-N 0 3 314.429 2.250 20 30 DEEDHN C=CCCC(=O)NCCCCCCN[C@H](C)c1nncn1C ZINC001178007364 794794568 /nfs/dbraw/zinc/79/45/68/794794568.db2.gz BJDXLQFVMSIMAT-CQSZACIVSA-N 0 3 307.442 2.109 20 30 DEEDHN COc1nscc1CNCCCCCCNC(=O)[C@H](C)C#N ZINC001178054013 794808539 /nfs/dbraw/zinc/80/85/39/794808539.db2.gz YHQAEKVXQYGYIQ-GFCCVEGCSA-N 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Cc1cc(CNC[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]2C)on1 ZINC001184355936 796039793 /nfs/dbraw/zinc/03/97/93/796039793.db2.gz FCAGRHQMAMKZBU-GDBMZVCRSA-N 0 3 317.433 2.217 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](NCc2cccnc2)C1 ZINC001184638328 796098190 /nfs/dbraw/zinc/09/81/90/796098190.db2.gz RHZIVYZXXOEJHG-AEFFLSMTSA-N 0 3 317.433 2.001 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(CC)CC)C1 ZINC001184858292 796142015 /nfs/dbraw/zinc/14/20/15/796142015.db2.gz KROSXOXOEZJNFU-UKRRQHHQSA-N 0 3 323.481 2.082 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)CCCF)C2)cc1F ZINC001184972558 796157499 /nfs/dbraw/zinc/15/74/99/796157499.db2.gz YUSSTRIBZMDUEX-CQSZACIVSA-N 0 3 307.344 2.138 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NCc2ccnc(OC)c2)C1 ZINC001185051107 796170304 /nfs/dbraw/zinc/17/03/04/796170304.db2.gz YAKATQRSCRFKAW-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN OC[C@H]1CN(Cc2ccc(C#Cc3ccccc3)cc2)CC[C@H]1O ZINC001138335002 796198527 /nfs/dbraw/zinc/19/85/27/796198527.db2.gz 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C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccncc1[O-])C2 ZINC001140273238 796497581 /nfs/dbraw/zinc/49/75/81/796497581.db2.gz IBJZWDJRQBIXTP-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccncc1[O-])C2 ZINC001140273238 796497583 /nfs/dbraw/zinc/49/75/83/796497583.db2.gz IBJZWDJRQBIXTP-GOSISDBHSA-N 0 3 315.417 2.320 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)CC1 ZINC001187245641 796505870 /nfs/dbraw/zinc/50/58/70/796505870.db2.gz BZLZEXSGZCUXHI-BRWVUGGUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC[C@@H](NC[C@@H](F)CC)C1 ZINC001187413369 796532466 /nfs/dbraw/zinc/53/24/66/796532466.db2.gz UMTHRZLRZRACOZ-DLBZAZTESA-N 0 3 302.393 2.149 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC001140542771 796537175 /nfs/dbraw/zinc/53/71/75/796537175.db2.gz DEKIHLKPFLESHU-IBGZPJMESA-N 0 3 324.428 2.178 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)cn1 ZINC001140547631 796539037 /nfs/dbraw/zinc/53/90/37/796539037.db2.gz 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COc1ccccc1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001150170305 796924711 /nfs/dbraw/zinc/92/47/11/796924711.db2.gz QAQLSWFTXTWRIG-UHFFFAOYSA-N 0 3 323.396 2.015 20 30 DEEDHN CC#CCCCC(=O)NC[C@H]1CN(CC=C(C)C)CCCO1 ZINC001150165076 796924925 /nfs/dbraw/zinc/92/49/25/796924925.db2.gz GTSMIXDOHYXBRM-KRWDZBQOSA-N 0 3 306.450 2.353 20 30 DEEDHN C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001190115243 796942109 /nfs/dbraw/zinc/94/21/09/796942109.db2.gz YBYANLCIJFCBLQ-MRXNPFEDSA-N 0 3 320.458 2.129 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@H](N(C)CC=C)C2)cc1 ZINC001190120678 796943121 /nfs/dbraw/zinc/94/31/21/796943121.db2.gz KUUCYDYNZMEWLD-KRWDZBQOSA-N 0 3 312.413 2.421 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001150561646 796954794 /nfs/dbraw/zinc/95/47/94/796954794.db2.gz DNXDBZBRHCCZIH-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001190270344 796972998 /nfs/dbraw/zinc/97/29/98/796972998.db2.gz PSGQAZLFHSWVDX-VSZNYVQBSA-N 0 3 318.461 2.324 20 30 DEEDHN COCC#CCNCCNC(=O)c1cc2cc(F)ccc2s1 ZINC001150759253 796974810 /nfs/dbraw/zinc/97/48/10/796974810.db2.gz MLTBLDKAODTSEF-UHFFFAOYSA-N 0 3 320.389 2.010 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001190387996 796989997 /nfs/dbraw/zinc/98/99/97/796989997.db2.gz JVIUTSWKPJALQD-OAHLLOKOSA-N 0 3 304.438 2.018 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCOc2ccccc2)cc1 ZINC001150922886 796991150 /nfs/dbraw/zinc/99/11/50/796991150.db2.gz KTYVIXPQPCQZNT-UHFFFAOYSA-N 0 3 323.396 2.233 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001190443986 796997832 /nfs/dbraw/zinc/99/78/32/796997832.db2.gz MNHQANSQDVKDMW-IAGOWNOFSA-N 0 3 324.465 2.093 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cc[nH]c2CC)CC1 ZINC001151099800 797012193 /nfs/dbraw/zinc/01/21/93/797012193.db2.gz ARNQBPHNSNZGIM-UHFFFAOYSA-N 0 3 319.449 2.364 20 30 DEEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)CNC(=O)C1CC1 ZINC001151454342 797048858 /nfs/dbraw/zinc/04/88/58/797048858.db2.gz YEAGCCUNNBTWCF-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CCn1cccc1C(=O)N1CC[C@H](N(C)CCOC(C)C)C1 ZINC001190675563 797055150 /nfs/dbraw/zinc/05/51/50/797055150.db2.gz QQUQQQKTXYCRGY-INIZCTEOSA-N 0 3 319.449 2.245 20 30 DEEDHN C=CCC1(S(=O)(=O)[N-]c2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC001190773747 797075194 /nfs/dbraw/zinc/07/51/94/797075194.db2.gz PCRJWZBJPCLQNT-UHFFFAOYSA-N 0 3 324.450 2.000 20 30 DEEDHN CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837869 797089501 /nfs/dbraw/zinc/08/95/01/797089501.db2.gz VITJTLKLPPYGFC-AWEZNQCLSA-N 0 3 320.437 2.299 20 30 DEEDHN CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837869 797089509 /nfs/dbraw/zinc/08/95/09/797089509.db2.gz VITJTLKLPPYGFC-AWEZNQCLSA-N 0 3 320.437 2.299 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COC/C=C/c2ccccc2)C1 ZINC001190899725 797094862 /nfs/dbraw/zinc/09/48/62/797094862.db2.gz MMNQYYAPFMLQSS-RUJXFNLJSA-N 0 3 314.429 2.435 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001190910390 797111520 /nfs/dbraw/zinc/11/15/20/797111520.db2.gz IFXLBZAGNUJEIE-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)[C@H](CC)CCCCC)C1=O ZINC001151885005 797111706 /nfs/dbraw/zinc/11/17/06/797111706.db2.gz ZXFQHULVKZQJEO-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1ccc(C#N)cc1 ZINC001152004754 797131795 /nfs/dbraw/zinc/13/17/95/797131795.db2.gz DTTKJPCYKNFHDB-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001152577291 797207326 /nfs/dbraw/zinc/20/73/26/797207326.db2.gz PTJGNKVYLJEULJ-GFCCVEGCSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC001192007725 797304454 /nfs/dbraw/zinc/30/44/54/797304454.db2.gz QUDRZXXESGEWLY-CYBMUJFWSA-N 0 3 324.371 2.314 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001192135659 797331537 /nfs/dbraw/zinc/33/15/37/797331537.db2.gz XPKUTRFVBZOBCC-QWHCGFSZSA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@@H](N(C)CCOCC=C)C2)CC1 ZINC001192205002 797337163 /nfs/dbraw/zinc/33/71/63/797337163.db2.gz BCQGRXALECDQQT-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(C2CCC2)cnn1C ZINC001153458453 797341550 /nfs/dbraw/zinc/34/15/50/797341550.db2.gz CAXKRJJDVIWVKW-CQSZACIVSA-N 0 3 316.449 2.151 20 30 DEEDHN Cc1ncc(C(=O)NCCc2cnc3cc[nH]cc2-3)cc1C#N ZINC001192301400 797367952 /nfs/dbraw/zinc/36/79/52/797367952.db2.gz PSMPXWAIIUTSKK-UHFFFAOYSA-N 0 3 305.341 2.111 20 30 DEEDHN Cc1ncc(C(=O)NCCc2c[nH]c3ccncc23)cc1C#N ZINC001192301400 797367958 /nfs/dbraw/zinc/36/79/58/797367958.db2.gz PSMPXWAIIUTSKK-UHFFFAOYSA-N 0 3 305.341 2.111 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COCc1ccc(C)cc1 ZINC001153733998 797382519 /nfs/dbraw/zinc/38/25/19/797382519.db2.gz TWJUKLCEAPZNQC-QGZVFWFLSA-N 0 3 316.445 2.362 20 30 DEEDHN C=CCC1(C(=O)NCCNCc2ccnc(OC)c2)CCCC1 ZINC001153818068 797402471 /nfs/dbraw/zinc/40/24/71/797402471.db2.gz VWVRCXZPNFGCCQ-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC001192802119 797450488 /nfs/dbraw/zinc/45/04/88/797450488.db2.gz UTCWVSWAAITUGS-HZPDHXFCSA-N 0 3 320.433 2.194 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)ncn2C ZINC001154092048 797460758 /nfs/dbraw/zinc/46/07/58/797460758.db2.gz AYGOGHMACFKKTA-CQSZACIVSA-N 0 3 312.417 2.037 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001154439853 797536434 /nfs/dbraw/zinc/53/64/34/797536434.db2.gz QRMLXCVAUBLBGH-VSZNYVQBSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001193269731 797536508 /nfs/dbraw/zinc/53/65/08/797536508.db2.gz ZSZXBNJQABGHJN-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)OCc1ccccc1C ZINC001154492847 797544533 /nfs/dbraw/zinc/54/45/33/797544533.db2.gz RCASUAYDMDDXIN-SJORKVTESA-N 0 3 316.445 2.360 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001154743329 797602229 /nfs/dbraw/zinc/60/22/29/797602229.db2.gz ZBZMLMXCVSIPJE-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Br)CNCCCNC(=O)/C=C(\C)C1CC1 ZINC001155165738 797697789 /nfs/dbraw/zinc/69/77/89/797697789.db2.gz NTIOLNQJGZAVHU-CSKARUKUSA-N 0 3 301.228 2.347 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001194397110 797721992 /nfs/dbraw/zinc/72/19/92/797721992.db2.gz OXEYULHXLZGFIZ-RHSMWYFYSA-N 0 3 320.408 2.450 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)OCc1ccccc1 ZINC001155489916 797771393 /nfs/dbraw/zinc/77/13/93/797771393.db2.gz ODNDGPBAJIVOAM-IAGOWNOFSA-N 0 3 316.445 2.442 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(OCC)c(C)c1 ZINC001155564481 797791069 /nfs/dbraw/zinc/79/10/69/797791069.db2.gz WUZLMWJSJZNMNP-OAHLLOKOSA-N 0 3 302.418 2.467 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001155752134 797839913 /nfs/dbraw/zinc/83/99/13/797839913.db2.gz YXTAUXCAVXHODR-NXHRZFHOSA-N 0 3 314.429 2.224 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc(-n2cccn2)c1 ZINC001155845546 797863937 /nfs/dbraw/zinc/86/39/37/797863937.db2.gz SUJYXQQJQGFTGE-MRXNPFEDSA-N 0 3 324.428 2.336 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC001195434464 797907211 /nfs/dbraw/zinc/90/72/11/797907211.db2.gz LORFPTPFJCTMNE-HNNXBMFYSA-N 0 3 300.418 2.252 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001195681263 797938208 /nfs/dbraw/zinc/93/82/08/797938208.db2.gz CCNXWSUMPZZNGS-QGZVFWFLSA-N 0 3 322.474 2.152 20 30 DEEDHN CC(C)C#CC(=O)N1CCCN(C[C@@H](O)C2CCCCC2)CC1 ZINC001195775263 797960647 /nfs/dbraw/zinc/96/06/47/797960647.db2.gz TUFWWBWXLUHULF-GOSISDBHSA-N 0 3 320.477 2.121 20 30 DEEDHN C#CCOCCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001195798411 797964798 /nfs/dbraw/zinc/96/47/98/797964798.db2.gz GLYDIONEURFDGL-UHFFFAOYSA-N 0 3 314.429 2.069 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC001195805968 797967136 /nfs/dbraw/zinc/96/71/36/797967136.db2.gz ITBIBQRJECROLK-IRXDYDNUSA-N 0 3 314.429 2.320 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCCNCc2cccc(F)c2F)c1 ZINC001156296290 797969317 /nfs/dbraw/zinc/96/93/17/797969317.db2.gz LCDXSZADIFOEDO-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCCCOCCC=C)CC1 ZINC001195839421 797974663 /nfs/dbraw/zinc/97/46/63/797974663.db2.gz MOEKIWTVSJFZPA-UHFFFAOYSA-N 0 3 306.450 2.307 20 30 DEEDHN N#Cc1c[nH]c2ncnc(NCC3CN(Cc4ccccc4)C3)c12 ZINC001156394308 797993034 /nfs/dbraw/zinc/99/30/34/797993034.db2.gz JGGYYGIEHBKUEC-UHFFFAOYSA-N 0 3 318.384 2.373 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@]1(C)CCOc2ccccc21 ZINC001156403941 797993835 /nfs/dbraw/zinc/99/38/35/797993835.db2.gz UWNKUUNGLIWCPD-DNVCBOLYSA-N 0 3 314.429 2.187 20 30 DEEDHN C=CCCCCC[N@@H+]1CCCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001196242736 798031318 /nfs/dbraw/zinc/03/13/18/798031318.db2.gz LRDWQQNTIHODND-UHFFFAOYSA-N 0 3 318.421 2.077 20 30 DEEDHN C=CCCCCC[N@H+]1CCCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001196242736 798031324 /nfs/dbraw/zinc/03/13/24/798031324.db2.gz LRDWQQNTIHODND-UHFFFAOYSA-N 0 3 318.421 2.077 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001196392650 798049190 /nfs/dbraw/zinc/04/91/90/798049190.db2.gz RULIZGAKJOJVNY-KBRIMQKVSA-N 0 3 320.408 2.264 20 30 DEEDHN CC1(C)C[C@H]1C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156685270 798063204 /nfs/dbraw/zinc/06/32/04/798063204.db2.gz XOKBMFMVHSWFJX-AWEZNQCLSA-N 0 3 303.381 2.339 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001196526463 798068170 /nfs/dbraw/zinc/06/81/70/798068170.db2.gz HQJYJGCNKYUKSO-NUEKZKHPSA-N 0 3 322.474 2.054 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(OC)c1 ZINC001156717770 798070021 /nfs/dbraw/zinc/07/00/21/798070021.db2.gz SFNUJGFWPYUCOM-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCOc1ccccc1F ZINC001156722083 798070714 /nfs/dbraw/zinc/07/07/14/798070714.db2.gz QLXNJEJVGATAHH-OAHLLOKOSA-N 0 3 320.408 2.445 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001196609172 798079173 /nfs/dbraw/zinc/07/91/73/798079173.db2.gz ULXMCAAOBDLFII-DJIMGWMZSA-N 0 3 308.466 2.330 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)c(OCC)c1 ZINC001156798301 798083588 /nfs/dbraw/zinc/08/35/88/798083588.db2.gz YDEYZJSFUXKHCU-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2n[nH]cc2F)CC1 ZINC001197068342 798143939 /nfs/dbraw/zinc/14/39/39/798143939.db2.gz HVGXPVGLMSFZME-UHFFFAOYSA-N 0 3 308.401 2.443 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001157241323 798169494 /nfs/dbraw/zinc/16/94/94/798169494.db2.gz HOMASJPNLCDMII-LSDHHAIUSA-N 0 3 304.409 2.464 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1N(C)C ZINC001157307594 798180712 /nfs/dbraw/zinc/18/07/12/798180712.db2.gz KIBKGJCIQPSLFH-OAHLLOKOSA-N 0 3 301.434 2.216 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cccnn2)CC1 ZINC001197527454 798199555 /nfs/dbraw/zinc/19/95/55/798199555.db2.gz DHBWFZRODCXISC-UHFFFAOYSA-N 0 3 302.422 2.371 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC001157517374 798221516 /nfs/dbraw/zinc/22/15/16/798221516.db2.gz XQBBFEWUPYOWII-OAHLLOKOSA-N 0 3 305.422 2.144 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCCOC2CCOCC2)CC1 ZINC001197768915 798235923 /nfs/dbraw/zinc/23/59/23/798235923.db2.gz OZWMKXBDCKMXMC-UHFFFAOYSA-N 0 3 324.465 2.073 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CN(C)CCOC1CCC1 ZINC001157705848 798262775 /nfs/dbraw/zinc/26/27/75/798262775.db2.gz MKDAJUCMIPLDFY-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN CCO[C@@H](C(=O)NCCCNCc1ccccc1C#N)C(C)C ZINC001157832725 798289345 /nfs/dbraw/zinc/28/93/45/798289345.db2.gz PKCANKSGJOESCK-QGZVFWFLSA-N 0 3 317.433 2.215 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001157850853 798292353 /nfs/dbraw/zinc/29/23/53/798292353.db2.gz VYUMFJXZOSUJQS-QGZVFWFLSA-N 0 3 320.433 2.338 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccnn1CCC ZINC001158005392 798325726 /nfs/dbraw/zinc/32/57/26/798325726.db2.gz RXUCXQHBRIRXEL-OAHLLOKOSA-N 0 3 304.438 2.406 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)CCOC)c1ccccc1OC ZINC001198454376 798336803 /nfs/dbraw/zinc/33/68/03/798336803.db2.gz OIQHYKNDOGRNTD-HNNXBMFYSA-N 0 3 306.406 2.055 20 30 DEEDHN C=C(C)CCN[C@@H](CNC(=O)CCOC)c1ccccc1OC ZINC001198462768 798338827 /nfs/dbraw/zinc/33/88/27/798338827.db2.gz JOSBQQCRRAWUJQ-INIZCTEOSA-N 0 3 320.433 2.445 20 30 DEEDHN CCN(Cc1ccccc1N(C)C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449924 798339353 /nfs/dbraw/zinc/33/93/53/798339353.db2.gz MIQFEBJVOPYQHE-HUUCEWRRSA-N 0 3 316.449 2.239 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001158113262 798345614 /nfs/dbraw/zinc/34/56/14/798345614.db2.gz KLLIWMKIYYYDPP-OAHLLOKOSA-N 0 3 313.405 2.070 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(F)cn1 ZINC001158147649 798351729 /nfs/dbraw/zinc/35/17/29/798351729.db2.gz DXANSKSSMRAJMU-MRXNPFEDSA-N 0 3 305.397 2.262 20 30 DEEDHN C=CCCN[C@H](CNC(=O)[C@H](CC)OC)c1ccccc1OC ZINC001198595451 798363119 /nfs/dbraw/zinc/36/31/19/798363119.db2.gz MBSNASQCZUVKSK-CVEARBPZSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H](NCC)c1ccccc1OC ZINC001198595925 798363364 /nfs/dbraw/zinc/36/33/64/798363364.db2.gz NPYOTKLLJKXOLK-GOEBONIOSA-N 0 3 320.433 2.443 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)[C@H](C)COC)c1ccccc1OC ZINC001198605366 798366173 /nfs/dbraw/zinc/36/61/73/798366173.db2.gz GDGDWIQZTOAMOU-ZBFHGGJFSA-N 0 3 320.433 2.301 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H]1CN(CCC(=C)C)C[C@H]1O)c1ccccc1 ZINC001198955378 798419806 /nfs/dbraw/zinc/41/98/06/798419806.db2.gz BKBHGMUIDOANGZ-RCCFBDPRSA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC3CCC3)C[C@H]2O)CCCCC1 ZINC001198944609 798423296 /nfs/dbraw/zinc/42/32/96/798423296.db2.gz KFCYCJWBDKBTCE-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCCN[C@@H](C)c1cnccn1 ZINC001158746647 798462536 /nfs/dbraw/zinc/46/25/36/798462536.db2.gz DPPIHLLOHQKLON-AWEZNQCLSA-N 0 3 302.422 2.402 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)OCC=C ZINC001158966199 798496112 /nfs/dbraw/zinc/49/61/12/798496112.db2.gz AJAGNCDNROUWNH-DLBZAZTESA-N 0 3 324.465 2.093 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CCC(NCc2conc2C)CC1 ZINC001199666866 798516896 /nfs/dbraw/zinc/51/68/96/798516896.db2.gz CNHHXDKDKWSREZ-CQSZACIVSA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCCC(=O)N1CCC(NCc2ncc(Cl)n2C)CC1 ZINC001199726325 798527540 /nfs/dbraw/zinc/52/75/40/798527540.db2.gz WTSPKINYZNTEQU-UHFFFAOYSA-N 0 3 310.829 2.120 20 30 DEEDHN C=CCCC(=O)N1CCC(NCc2csnc2OC)CC1 ZINC001199733704 798529540 /nfs/dbraw/zinc/52/95/40/798529540.db2.gz SSYIQJVENNKLEH-UHFFFAOYSA-N 0 3 309.435 2.199 20 30 DEEDHN N#Cc1cccnc1NCCNCc1cccc(Cl)c1N ZINC001199777152 798537381 /nfs/dbraw/zinc/53/73/81/798537381.db2.gz NVBLSGDWRCJKAF-UHFFFAOYSA-N 0 3 301.781 2.391 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2cc(C)ns2)C1 ZINC001200083108 798587548 /nfs/dbraw/zinc/58/75/48/798587548.db2.gz ABZGSFGHWNQEMZ-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001159939591 798629168 /nfs/dbraw/zinc/62/91/68/798629168.db2.gz QVEWIQSMOGMQOL-UHFFFAOYSA-N 0 3 319.792 2.402 20 30 DEEDHN O=C(C#CC1CC1)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200434930 798637137 /nfs/dbraw/zinc/63/71/37/798637137.db2.gz UZOGQPJXPVMZRW-FMIVXFBMSA-N 0 3 301.217 2.299 20 30 DEEDHN Cc1ncoc1CNC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001200471411 798643405 /nfs/dbraw/zinc/64/34/05/798643405.db2.gz HPAKNCUKTQSUKY-UHFFFAOYSA-N 0 3 303.406 2.113 20 30 DEEDHN CC(C)C#CC(=O)N1CCCO[C@H](CNCc2ccsc2)C1 ZINC001200469252 798643628 /nfs/dbraw/zinc/64/36/28/798643628.db2.gz HQCFDQCMBBZFIO-MRXNPFEDSA-N 0 3 320.458 2.115 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(C)=C(C)C2)CCCO1 ZINC001200574230 798651539 /nfs/dbraw/zinc/65/15/39/798651539.db2.gz NQAKDMATYAWQRQ-ZWKOTPCHSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2CCCc3c[nH]nc32)CC1 ZINC001160142289 798653925 /nfs/dbraw/zinc/65/39/25/798653925.db2.gz DUHDWLMYGGQKKG-INIZCTEOSA-N 0 3 314.433 2.154 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)Cn2ccc(C)n2)CC1 ZINC001160235106 798664617 /nfs/dbraw/zinc/66/46/17/798664617.db2.gz AYFVHVGAGIRAHO-HNNXBMFYSA-N 0 3 316.449 2.152 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2nn(C)cc2Cl)CC1 ZINC001160247027 798666850 /nfs/dbraw/zinc/66/68/50/798666850.db2.gz DXAAOSAVQXBEHE-UHFFFAOYSA-N 0 3 308.813 2.012 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC(NCc2nccn2C)CC1 ZINC001200739491 798675010 /nfs/dbraw/zinc/67/50/10/798675010.db2.gz UDHLLHSGSXSBRY-UHFFFAOYSA-N 0 3 316.449 2.269 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCOCCC=C)C2 ZINC001110559674 798702843 /nfs/dbraw/zinc/70/28/43/798702843.db2.gz HXQISXAISGVGNA-KURKYZTESA-N 0 3 318.461 2.494 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2ccsn2)c1 ZINC001160698224 798724365 /nfs/dbraw/zinc/72/43/65/798724365.db2.gz UDSVISKCEKSVTN-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001160758728 798736616 /nfs/dbraw/zinc/73/66/16/798736616.db2.gz NSEYDXQZTQFXNM-OAHLLOKOSA-N 0 3 321.852 2.361 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(CCCC)CC2)CCCO1 ZINC001201343203 798744731 /nfs/dbraw/zinc/74/47/31/798744731.db2.gz CHQAAILRUXUEON-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)c2cccs2)CCCO1 ZINC001201390739 798749835 /nfs/dbraw/zinc/74/98/35/798749835.db2.gz RXOORLMUKDJPPD-LSDHHAIUSA-N 0 3 320.458 2.082 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](C)CC2CCCCC2)CCCO1 ZINC001201546889 798767373 /nfs/dbraw/zinc/76/73/73/798767373.db2.gz NQTLTYCUQUKVPX-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@](C)(CC)CCC)CCCO1 ZINC001201725312 798790772 /nfs/dbraw/zinc/79/07/72/798790772.db2.gz AMUCPFPCMQPPJU-FUHWJXTLSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](F)CCCCCC)CCCO1 ZINC001201870876 798806098 /nfs/dbraw/zinc/80/60/98/798806098.db2.gz CPQZFHLAZNKSGD-JKSUJKDBSA-N 0 3 312.429 2.135 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@]2(C)CC=C(C)CC2)CCCO1 ZINC001202126411 798830082 /nfs/dbraw/zinc/83/00/82/798830082.db2.gz UDMYMZLKKUZRRZ-HKUYNNGSSA-N 0 3 318.461 2.353 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H]2CCCC(C)(C)C2)CCCO1 ZINC001202174662 798836478 /nfs/dbraw/zinc/83/64/78/798836478.db2.gz XQWHRIIUGAEXSO-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 ZINC001161634260 798900012 /nfs/dbraw/zinc/90/00/12/798900012.db2.gz FSJWLBYNMPVVEC-YXMGTMDOSA-N 0 3 318.392 2.349 20 30 DEEDHN Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCN(C)C)n1 ZINC001161666635 798907276 /nfs/dbraw/zinc/90/72/76/798907276.db2.gz IDQLUPVLMPCMEK-RKPWUKJMSA-N 0 3 310.467 2.245 20 30 DEEDHN CN1CCN(CCCNc2ccc3c(ccnc3C#N)c2)CC1 ZINC001161711189 798919805 /nfs/dbraw/zinc/91/98/05/798919805.db2.gz XDXQAXCOBFLXTJ-UHFFFAOYSA-N 0 3 309.417 2.156 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cn3ccccc3n2)CC1 ZINC001161817934 798943853 /nfs/dbraw/zinc/94/38/53/798943853.db2.gz IZEHBIGJWQNUHS-UHFFFAOYSA-N 0 3 322.412 2.110 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CCCC1)C2 ZINC001110678009 798961115 /nfs/dbraw/zinc/96/11/15/798961115.db2.gz GSYFOEFGVMCAIL-ZACQAIPSSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)CCc2cncc(F)c2)CC1 ZINC001162011620 798992866 /nfs/dbraw/zinc/99/28/66/798992866.db2.gz IDSVMTJFGLBLOF-UHFFFAOYSA-N 0 3 317.408 2.478 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H](C)C2CCOCC2)CC1 ZINC001162016382 798994011 /nfs/dbraw/zinc/99/40/11/798994011.db2.gz CTQMPLRZYMEGNS-MRXNPFEDSA-N 0 3 318.461 2.211 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2CCCC2)(COC)CC1 ZINC001162057647 799003324 /nfs/dbraw/zinc/00/33/24/799003324.db2.gz PIGBGVMECDPINE-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCC1(COC)CCN(CC#CC)CC1 ZINC001162423735 799085066 /nfs/dbraw/zinc/08/50/66/799085066.db2.gz HQCQHJRKULAFHE-QGZVFWFLSA-N 0 3 320.477 2.457 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCC[C@H](C)C2)(COC)CC1 ZINC001162435020 799087929 /nfs/dbraw/zinc/08/79/29/799087929.db2.gz VTFJKYVEAJVPIC-DLBZAZTESA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCC2(C)CC2)(COC)CC1 ZINC001162564135 799118374 /nfs/dbraw/zinc/11/83/74/799118374.db2.gz VPLVFYMRLXVTAV-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001162763099 799168312 /nfs/dbraw/zinc/16/83/12/799168312.db2.gz CCGBSXQHCFFYNU-BWTSREIZSA-N 0 3 310.441 2.327 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)COC(C)(C)C ZINC001162774197 799171207 /nfs/dbraw/zinc/17/12/07/799171207.db2.gz WEBPIUFUYISPIU-UHFFFAOYSA-N 0 3 316.445 2.096 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1CC1(F)F ZINC001162803014 799179145 /nfs/dbraw/zinc/17/91/45/799179145.db2.gz SAQFFSOHBJCVFA-INIZCTEOSA-N 0 3 320.383 2.326 20 30 DEEDHN COC(=O)C[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137121562 799197999 /nfs/dbraw/zinc/19/79/99/799197999.db2.gz RMICRTLHNTVKKZ-OAHLLOKOSA-N 0 3 302.374 2.364 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1ccn(C)c1C ZINC001162924320 799202917 /nfs/dbraw/zinc/20/29/17/799202917.db2.gz MTFUJMJWEOOJDM-UHFFFAOYSA-N 0 3 323.440 2.241 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)[nH]1 ZINC001095327841 799359844 /nfs/dbraw/zinc/35/98/44/799359844.db2.gz IVGLWWXPWWAJJC-NJAFHUGGSA-N 0 3 320.396 2.422 20 30 DEEDHN C=CCCC(=O)NCCC1(CNCc2cccnc2OC)CC1 ZINC001163768160 799426804 /nfs/dbraw/zinc/42/68/04/799426804.db2.gz ZJYXMWMSOQDHMN-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1cccnc1OC ZINC001164221404 799543576 /nfs/dbraw/zinc/54/35/76/799543576.db2.gz BDTIJDSDZIDQIM-UONOGXRCSA-N 0 3 305.422 2.144 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(C)C)c1C)C2 ZINC001098188803 799597235 /nfs/dbraw/zinc/59/72/35/799597235.db2.gz ARNUKFQQPFNTEF-OIISXLGYSA-N 0 3 314.433 2.131 20 30 DEEDHN CCc1nocc1CNCC1(CCNC(=O)C#CC(C)C)CC1 ZINC001164460786 799602392 /nfs/dbraw/zinc/60/23/92/799602392.db2.gz HGUVHAYYFSHRIG-UHFFFAOYSA-N 0 3 317.433 2.273 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3cc(C)ccc3n1)C2 ZINC001095615841 799672116 /nfs/dbraw/zinc/67/21/16/799672116.db2.gz JWCSQPAMOKQLGT-VYDXJSESSA-N 0 3 322.412 2.001 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(COC)c1)C2 ZINC001095705428 799706184 /nfs/dbraw/zinc/70/61/84/799706184.db2.gz MAGSPRLUNOHSBV-SQNIBIBYSA-N 0 3 312.413 2.191 20 30 DEEDHN N#Cc1cc(Cl)nnc1N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001165350432 799711746 /nfs/dbraw/zinc/71/17/46/799711746.db2.gz XOSQRVCTYCHVRX-UONOGXRCSA-N 0 3 311.776 2.077 20 30 DEEDHN C=CCCCC(=O)NCCCNCC(=O)Nc1ccccc1F ZINC001165551149 799745703 /nfs/dbraw/zinc/74/57/03/799745703.db2.gz ZTBOLORRBCINML-UHFFFAOYSA-N 0 3 321.396 2.216 20 30 DEEDHN C[C@H]1CC[C@H](CC(=O)NCCCNCc2ccccc2C#N)O1 ZINC001165823606 799779736 /nfs/dbraw/zinc/77/97/36/799779736.db2.gz SNRCJMVFLOYJMO-WMLDXEAASA-N 0 3 315.417 2.112 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1cc(OC)ccn1 ZINC001165922013 799796768 /nfs/dbraw/zinc/79/67/68/799796768.db2.gz YLMHMHPMYZLUJM-QGZVFWFLSA-N 0 3 305.422 2.288 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2cc(C)ncn2)CCC1 ZINC001166004011 799811560 /nfs/dbraw/zinc/81/15/60/799811560.db2.gz BIZFNRDJIJAYRL-UHFFFAOYSA-N 0 3 302.422 2.127 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)COC)CC1 ZINC001110989468 799814148 /nfs/dbraw/zinc/81/41/48/799814148.db2.gz MTUHNNUXWBKKCZ-JJXSEGSLSA-N 0 3 306.450 2.489 20 30 DEEDHN C[C@H](C(=O)NCCCNCc1ccccc1C#N)C(C)(F)F ZINC001166858332 799966678 /nfs/dbraw/zinc/96/66/78/799966678.db2.gz PYKUDIYYXAIQLE-GFCCVEGCSA-N 0 3 309.360 2.445 20 30 DEEDHN Cc1cc(CN2CCC3(CC2)C[C@@H](O)CCO3)ccc1C#N ZINC000933055050 800002242 /nfs/dbraw/zinc/00/22/42/800002242.db2.gz KDLKMKIYXWROLN-KRWDZBQOSA-N 0 3 300.402 2.373 20 30 DEEDHN N#CCCOCCN[C@H](CO)c1ccccc1C(F)(F)F ZINC000933243795 800048353 /nfs/dbraw/zinc/04/83/53/800048353.db2.gz SWJWILXKFUZTLZ-CYBMUJFWSA-N 0 3 302.296 2.259 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCc2cn[nH]c2)C12CCC2 ZINC001203483826 800058629 /nfs/dbraw/zinc/05/86/29/800058629.db2.gz NFNZCPOFGCMHGF-KGLIPLIRSA-N 0 3 322.840 2.112 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203551285 800077161 /nfs/dbraw/zinc/07/71/61/800077161.db2.gz AMUHKMJOBGEYNC-GOSISDBHSA-N 0 3 300.402 2.393 20 30 DEEDHN C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203551285 800077168 /nfs/dbraw/zinc/07/71/68/800077168.db2.gz AMUHKMJOBGEYNC-GOSISDBHSA-N 0 3 300.402 2.393 20 30 DEEDHN CC(C)NC(=O)NCCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607451 800137313 /nfs/dbraw/zinc/13/73/13/800137313.db2.gz QDMBWRQWTNBRET-UHFFFAOYSA-N 0 3 314.433 2.445 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(F)(F)F)CC1)C2 ZINC001111058221 800166681 /nfs/dbraw/zinc/16/66/81/800166681.db2.gz IWVAATHDZPAKFI-UTUOFQBUSA-N 0 3 300.324 2.074 20 30 DEEDHN C=CCOCCN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715905 800169389 /nfs/dbraw/zinc/16/93/89/800169389.db2.gz NXLCVAKEWQTMSU-NSHDSACASA-N 0 3 301.312 2.487 20 30 DEEDHN N#CC1(C[C@@H](O)CN(Cc2ccoc2)C2CC2)CCOCC1 ZINC000934003240 800239684 /nfs/dbraw/zinc/23/96/84/800239684.db2.gz DJANFQQSMHACGX-MRXNPFEDSA-N 0 3 304.390 2.315 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(CN[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001205407424 800353499 /nfs/dbraw/zinc/35/34/99/800353499.db2.gz LDPJGOCRTJVMLP-ZDUSSCGKSA-N 0 3 319.453 2.359 20 30 DEEDHN C#C[C@H]1CCCCN1CCc1c(C)nc2sccn2c1=O ZINC000934517075 800379415 /nfs/dbraw/zinc/37/94/15/800379415.db2.gz SEPJKAUGWRZXNG-ZDUSSCGKSA-N 0 3 301.415 2.095 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2CCOCCC#N ZINC000934659449 800415131 /nfs/dbraw/zinc/41/51/31/800415131.db2.gz DSQXMUICZWMUMW-WMLDXEAASA-N 0 3 323.437 2.296 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC001205961420 800451393 /nfs/dbraw/zinc/45/13/93/800451393.db2.gz UYUUORSJFPVHAQ-CABCVRRESA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCCCC(=O)N1CCC(CNCc2cc(C)n(C)n2)CC1 ZINC001206106288 800473504 /nfs/dbraw/zinc/47/35/04/800473504.db2.gz XSNMUGXICLDHPJ-UHFFFAOYSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cnc(C)n1C)CC2 ZINC001206792836 800592538 /nfs/dbraw/zinc/59/25/38/800592538.db2.gz MSBHCTFVIKBKDD-SFHVURJKSA-N 0 3 316.449 2.262 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C ZINC001206913491 800625551 /nfs/dbraw/zinc/62/55/51/800625551.db2.gz MTAOTSNWSQMVEP-NVXWUHKLSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2scnc2C)CC1 ZINC001206988704 800649216 /nfs/dbraw/zinc/64/92/16/800649216.db2.gz BKYPDACSPJGXHI-UHFFFAOYSA-N 0 3 320.506 2.243 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000935663027 800726575 /nfs/dbraw/zinc/72/65/75/800726575.db2.gz NNUPOEJGZHTYRE-OAHLLOKOSA-N 0 3 313.401 2.314 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccns2)C1 ZINC001207622049 800790853 /nfs/dbraw/zinc/79/08/53/800790853.db2.gz BPXIHPAXABLJJB-UONOGXRCSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCC(C)(C)C)C1 ZINC001207675823 800804225 /nfs/dbraw/zinc/80/42/25/800804225.db2.gz MXJIAMLCJQJXQE-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001207680605 800805049 /nfs/dbraw/zinc/80/50/49/800805049.db2.gz QQJGUWPEQCJIPB-AWEZNQCLSA-N 0 3 323.824 2.018 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001207860610 800850781 /nfs/dbraw/zinc/85/07/81/800850781.db2.gz NTWPVORPLAPENN-QGZVFWFLSA-N 0 3 316.449 2.003 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](NCc2cc(C)ns2)C1 ZINC001207934928 800867523 /nfs/dbraw/zinc/86/75/23/800867523.db2.gz KQTQGXNCPSHGLO-AWEZNQCLSA-N 0 3 305.447 2.336 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001207999030 800886488 /nfs/dbraw/zinc/88/64/88/800886488.db2.gz USNPKGGHVMNBER-LBPRGKRZSA-N 0 3 301.217 2.299 20 30 DEEDHN C=CCCOCCCCC(=O)N1CCC[C@@H](NCCF)C1 ZINC001208032764 800898946 /nfs/dbraw/zinc/89/89/46/800898946.db2.gz YAQBJERSKXMAKB-OAHLLOKOSA-N 0 3 300.418 2.300 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001208057350 800902815 /nfs/dbraw/zinc/90/28/15/800902815.db2.gz LUALTYZCCKXTNB-DISONHOPSA-N 0 3 320.477 2.452 20 30 DEEDHN CC1=C[C@@H](C)[C@H](CN2CCN(c3nccnc3C#N)CC2)CC1 ZINC001208181782 800924372 /nfs/dbraw/zinc/92/43/72/800924372.db2.gz QIIRBUGDIHSQJJ-CVEARBPZSA-N 0 3 311.433 2.463 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NCc2cnc(C)nc2)C1 ZINC001208258849 800942539 /nfs/dbraw/zinc/94/25/39/800942539.db2.gz 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/nfs/dbraw/zinc/22/45/15/801224515.db2.gz SKZJXGYRJISVKH-UHFFFAOYSA-N 0 3 302.466 2.115 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001209865325 801296631 /nfs/dbraw/zinc/29/66/31/801296631.db2.gz GDSVTOPSSVPFPH-MRXNPFEDSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NCC(=O)N[C@H](C)CC)C1 ZINC001209866186 801298451 /nfs/dbraw/zinc/29/84/51/801298451.db2.gz PRNLIYGSZNAKQJ-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)CCc2cccs2)CC1 ZINC001230226548 801372232 /nfs/dbraw/zinc/37/22/32/801372232.db2.gz VESNUGMGSYITHX-UHFFFAOYSA-N 0 3 322.474 2.464 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001210357818 801382068 /nfs/dbraw/zinc/38/20/68/801382068.db2.gz FAIMTJOGFGMGEN-GOEBONIOSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H](C)SC)Cc1cccnc1 ZINC001230692424 801464077 /nfs/dbraw/zinc/46/40/77/801464077.db2.gz HUFJORKYSQDMNR-OAHLLOKOSA-N 0 3 319.474 2.165 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC001210796325 801465084 /nfs/dbraw/zinc/46/50/84/801465084.db2.gz SWRWWSLIQFWVIH-NVXWUHKLSA-N 0 3 302.418 2.468 20 30 DEEDHN C=C(C)CCC(=O)NCCCN(CCCO)Cc1cccnc1 ZINC001230771658 801487137 /nfs/dbraw/zinc/48/71/37/801487137.db2.gz OQMOJWCGJFALHJ-UHFFFAOYSA-N 0 3 319.449 2.129 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCn1cncn1 ZINC001230795727 801496685 /nfs/dbraw/zinc/49/66/85/801496685.db2.gz SNACBNKLJIYLIQ-MRXNPFEDSA-N 0 3 321.469 2.171 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC001230855465 801512468 /nfs/dbraw/zinc/51/24/68/801512468.db2.gz NETKSNCJGJSXPH-CYBMUJFWSA-N 0 3 308.451 2.431 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cncnc1C ZINC001230855388 801513406 /nfs/dbraw/zinc/51/34/06/801513406.db2.gz MLOZHOUHBRKJLN-ZFWWWQNUSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2C)CCCCC1 ZINC001211235303 801534804 /nfs/dbraw/zinc/53/48/04/801534804.db2.gz KZCZMGILVHCOSJ-BZUAXINKSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H](OC)C1 ZINC001213303387 801594179 /nfs/dbraw/zinc/59/41/79/801594179.db2.gz MASFGDNFPRUCLL-HZPDHXFCSA-N 0 3 306.450 2.348 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(CF)CC2)[C@H](OC)C1 ZINC001213428492 801608142 /nfs/dbraw/zinc/60/81/42/801608142.db2.gz KXPUNJITLGXRMV-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@H](OC)C1 ZINC001213790880 801643187 /nfs/dbraw/zinc/64/31/87/801643187.db2.gz ZUWZKJCJJIXUJY-CHWSQXEVSA-N 0 3 318.408 2.449 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2OC)CCCC1 ZINC001214004405 801661696 /nfs/dbraw/zinc/66/16/96/801661696.db2.gz YGJACRQKZRGNEH-HZPDHXFCSA-N 0 3 306.450 2.348 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1NCC#Cc1ccccc1 ZINC001214433456 801715177 /nfs/dbraw/zinc/71/51/77/801715177.db2.gz GVZVLNYIXQLWEB-VQIMIIECSA-N 0 3 321.424 2.127 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ns2)C1 ZINC001214527165 801724875 /nfs/dbraw/zinc/72/48/75/801724875.db2.gz KETOZIACPLXMEB-IUODEOHRSA-N 0 3 305.447 2.192 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)CCC)C1 ZINC001214743491 801755907 /nfs/dbraw/zinc/75/59/07/801755907.db2.gz ANSSLPGUYAKIBN-OWCLPIDISA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001214743797 801756824 /nfs/dbraw/zinc/75/68/24/801756824.db2.gz OIYBTUASUOTYEN-HZSPNIEDSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001215376661 801851585 /nfs/dbraw/zinc/85/15/85/801851585.db2.gz QBJLMXOQJHLJTH-FRFSOERESA-N 0 3 318.465 2.267 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC001215433894 801860883 /nfs/dbraw/zinc/86/08/83/801860883.db2.gz FMRYSHYUNJISMJ-MGPQQGTHSA-N 0 3 319.453 2.221 20 30 DEEDHN CN(C)c1ccc(CN2CCN(CC3CC3)CC2)c(F)c1C#N ZINC001233101480 802025904 /nfs/dbraw/zinc/02/59/04/802025904.db2.gz ZQKYQNVKCNSUCI-UHFFFAOYSA-N 0 3 316.424 2.291 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)/C=C/c3ccco3)[C@H]2C1 ZINC001217196472 802053157 /nfs/dbraw/zinc/05/31/57/802053157.db2.gz RCOFDORYNJTLLX-UAEOLWBESA-N 0 3 316.401 2.171 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@H](CC)OC)[C@H]2C1 ZINC001217435654 802076986 /nfs/dbraw/zinc/07/69/86/802076986.db2.gz PCLGGYMIXISFDX-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CCOCC)[C@H]2C1 ZINC001217523251 802084136 /nfs/dbraw/zinc/08/41/36/802084136.db2.gz PTUCWMBDPVSSJI-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)C#CC(C)(C)C)[C@H]2C1 ZINC001217844135 802115949 /nfs/dbraw/zinc/11/59/49/802115949.db2.gz QBSXDZFLHIGLJK-IXDOHACOSA-N 0 3 318.461 2.302 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCCC#CC)[C@H]2C1 ZINC001218504415 802192998 /nfs/dbraw/zinc/19/29/98/802192998.db2.gz VUMXJJVXHQWCTN-DLBZAZTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCCC3CC3)[C@H]2C1 ZINC001218503957 802193697 /nfs/dbraw/zinc/19/36/97/802193697.db2.gz 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/nfs/dbraw/zinc/25/78/45/802257845.db2.gz HDBNJATVESRXIU-FUHWJXTLSA-N 0 3 308.466 2.427 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(C)s2)[C@@H](O)C1 ZINC001219101179 802280438 /nfs/dbraw/zinc/28/04/38/802280438.db2.gz BIJUYFZNGPJHTH-YUTCNCBUSA-N 0 3 308.447 2.186 20 30 DEEDHN COCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214378 802327934 /nfs/dbraw/zinc/32/79/34/802327934.db2.gz ANZJMFKJFJERSR-MRXNPFEDSA-N 0 3 308.466 2.385 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC/C=C/CC)C[C@@H]1O ZINC001219702968 802370199 /nfs/dbraw/zinc/37/01/99/802370199.db2.gz OJXXGFRYYLEZSH-AFJNRPGYSA-N 0 3 314.857 2.283 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001234413365 802371990 /nfs/dbraw/zinc/37/19/90/802371990.db2.gz JIZGYKQMPCSISH-JZXOWHBKSA-N 0 3 306.450 2.302 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC2(F)F)[C@@H](O)C1 ZINC001219858345 802384122 /nfs/dbraw/zinc/38/41/22/802384122.db2.gz NVZTUXICNVBDQI-MCIONIFRSA-N 0 3 318.408 2.163 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001220021470 802402100 /nfs/dbraw/zinc/40/21/00/802402100.db2.gz ZFRZMNUTYMABLN-CVEARBPZSA-N 0 3 306.450 2.084 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001234527117 802403233 /nfs/dbraw/zinc/40/32/33/802403233.db2.gz LWGJUQXFWRCQQW-DOTOQJQBSA-N 0 3 318.465 2.327 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCC[C@@H](C)O ZINC001234555871 802414525 /nfs/dbraw/zinc/41/45/25/802414525.db2.gz YVJQDFFQRCAUOO-OCCSQVGLSA-N 0 3 316.873 2.459 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(CC)CCC2)[C@@H](O)C1 ZINC001220194300 802424295 /nfs/dbraw/zinc/42/42/95/802424295.db2.gz KFAMQQDUBYCONX-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220201320 802425519 /nfs/dbraw/zinc/42/55/19/802425519.db2.gz MJMFLYAFOMDDHY-UAGQMJEPSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001220242049 802431850 /nfs/dbraw/zinc/43/18/50/802431850.db2.gz HUKNUHRNLQODIB-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CCCC(C)C)C[C@@H]2O)CC1 ZINC001220275503 802436500 /nfs/dbraw/zinc/43/65/00/802436500.db2.gz ZWIGIALCBBJLDG-SJORKVTESA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2occc2Cl)[C@@H](O)C1 ZINC001220289824 802438754 /nfs/dbraw/zinc/43/87/54/802438754.db2.gz FAICDMJHMGFRKK-RTXFEEFZSA-N 0 3 312.797 2.063 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CC/C=C\CC)C[C@@H]2O)CC1 ZINC001220289773 802439053 /nfs/dbraw/zinc/43/90/53/802439053.db2.gz CSZFIVYIWGORRT-KMZHTNPJSA-N 0 3 306.450 2.250 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ccn(C)c2C)[C@@H](O)C1 ZINC001220303674 802442543 /nfs/dbraw/zinc/44/25/43/802442543.db2.gz YQQSNYKCXIQDTC-SJORKVTESA-N 0 3 321.465 2.079 20 30 DEEDHN C=CC1(CC(=O)N[C@@H]2CN(CCCC)C[C@@H]2O)CCCCC1 ZINC001220526390 802470993 /nfs/dbraw/zinc/47/09/93/802470993.db2.gz WPXZEQVBYBNAOX-CVEARBPZSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@@H](O)C1 ZINC001220518833 802471322 /nfs/dbraw/zinc/47/13/22/802471322.db2.gz OTNMENUFDAFBHQ-MLHJIOFPSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](O)C1 ZINC001220841033 802503011 /nfs/dbraw/zinc/50/30/11/802503011.db2.gz FAGZTJLKTYIBNZ-DFBGVHRSSA-N 0 3 324.371 2.094 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)Cc2sc(C)cc2C)[C@@H](O)C1 ZINC001220873395 802506641 /nfs/dbraw/zinc/50/66/41/802506641.db2.gz LQFSFLZCJCCJEV-CABCVRRESA-N 0 3 322.474 2.035 20 30 DEEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 ZINC001221539005 802591358 /nfs/dbraw/zinc/59/13/58/802591358.db2.gz ITEQMIJWBRQCQC-IXDOHACOSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CCN(C[C@H]3CCCCO3)C[C@H]21 ZINC001221754706 802611097 /nfs/dbraw/zinc/61/10/97/802611097.db2.gz RLLWEPAYZIGXRF-KZNAEPCWSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(CCC[C@@H](C)O)C[C@H]32)CCC1 ZINC001221797699 802616942 /nfs/dbraw/zinc/61/69/42/802616942.db2.gz BPXMWQWQYUCHOZ-BRWVUGGUSA-N 0 3 320.477 2.427 20 30 DEEDHN CSCC(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001222329332 802671074 /nfs/dbraw/zinc/67/10/74/802671074.db2.gz BHXZSQVOMZGUSC-UHFFFAOYSA-N 0 3 317.458 2.249 20 30 DEEDHN C(#Cc1ccc(CN2CCOC3(CNC3)C2)cc1)c1ccccc1 ZINC001222446992 802687177 /nfs/dbraw/zinc/68/71/77/802687177.db2.gz HWMTWVCAKYCYJM-UHFFFAOYSA-N 0 3 318.420 2.261 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001222641373 802720549 /nfs/dbraw/zinc/72/05/49/802720549.db2.gz KKLMLEZWVBNPIY-ZDUSSCGKSA-N 0 3 303.381 2.314 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H]2CCN(CC#CC)[C@H]2C1)OCC ZINC001222798958 802741812 /nfs/dbraw/zinc/74/18/12/802741812.db2.gz BBDGHZYTGPBOJS-FGTMMUONSA-N 0 3 318.461 2.304 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC2CC(OCC)C2)CC1 ZINC001224222156 802848529 /nfs/dbraw/zinc/84/85/29/802848529.db2.gz OUXKADJHFSILBS-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(CO[C@H]1COCCN(Cc2ccccc2)C1)C(=O)OCC ZINC001224357348 802861023 /nfs/dbraw/zinc/86/10/23/802861023.db2.gz 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/nfs/dbraw/zinc/13/24/01/803132401.db2.gz IBFASZQYHQFINM-SNVBAGLBSA-N 0 3 306.435 2.000 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001227298658 803229620 /nfs/dbraw/zinc/22/96/20/803229620.db2.gz BPLNCNPHMSUQEG-INIZCTEOSA-N 0 3 314.429 2.114 20 30 DEEDHN O=C(C#CC1CC1)NC1CCN(CCc2ccccc2F)CC1 ZINC001227298660 803229792 /nfs/dbraw/zinc/22/97/92/803229792.db2.gz BPQKDFTVEIKPLM-UHFFFAOYSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC001227629688 803263572 /nfs/dbraw/zinc/26/35/72/803263572.db2.gz ZYDXTFVXUBYPHL-QGZVFWFLSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001228137237 803324837 /nfs/dbraw/zinc/32/48/37/803324837.db2.gz GOEDZUQGQXWGPX-ZIAGYGMSSA-N 0 3 318.421 2.087 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001228413891 803356572 /nfs/dbraw/zinc/35/65/72/803356572.db2.gz UWYRRXOXANWIRD-IIDMSEBBSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001228414207 803356945 /nfs/dbraw/zinc/35/69/45/803356945.db2.gz ZEESUIWIIZCYKO-CPUCHLNUSA-N 0 3 319.453 2.232 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228795553 803414927 /nfs/dbraw/zinc/41/49/27/803414927.db2.gz ZIMVCZIPQXWDLZ-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001334145331 1150210423 /nfs/dbraw/zinc/21/04/23/1150210423.db2.gz RMYKFIQPUZBRBR-WCQYABFASA-N 0 3 305.353 2.052 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cn2c(n1)CCC2 ZINC001330818287 1149304543 /nfs/dbraw/zinc/30/45/43/1149304543.db2.gz BHVSSXHYFMRIIP-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)COC/C=C/c1ccccc1 ZINC001331488060 1149478600 /nfs/dbraw/zinc/47/86/00/1149478600.db2.gz IPNGNXJLWSUIKW-KQPPXVQYSA-N 0 3 314.429 2.176 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC001328099762 1148721387 /nfs/dbraw/zinc/72/13/87/1148721387.db2.gz YGWMOTWQXGXKSO-ZDUSSCGKSA-N 0 3 323.462 2.176 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC001331542879 1149522769 /nfs/dbraw/zinc/52/27/69/1149522769.db2.gz INGAOSPSLLSSPN-CQSZACIVSA-N 0 3 311.429 2.479 20 30 DEEDHN COc1cc(OC)cc([C@@H](O)CNCC#Cc2ccccc2)c1 ZINC001342946448 1150633183 /nfs/dbraw/zinc/63/31/83/1150633183.db2.gz FMSAVOSWJPUNKA-IBGZPJMESA-N 0 3 311.381 2.379 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC001343194945 1150706331 /nfs/dbraw/zinc/70/63/31/1150706331.db2.gz AMKFHOCHGRPOHB-WFASDCNBSA-N 0 3 319.405 2.282 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H]1CSc2ccccc2O1 ZINC001343715216 1150765975 /nfs/dbraw/zinc/76/59/75/1150765975.db2.gz UHMIHILLBHXHNS-CHWSQXEVSA-N 0 3 306.431 2.340 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CO)NCc1ccccc1C ZINC001331787776 1149681944 /nfs/dbraw/zinc/68/19/44/1149681944.db2.gz LTNCCWUZRSQEGO-FUHWJXTLSA-N 0 3 304.434 2.164 20 30 DEEDHN COc1cccc2cc(CNC(=O)[C@@H](N)CCCC#N)oc21 ZINC001331831561 1149713638 /nfs/dbraw/zinc/71/36/38/1149713638.db2.gz GMULOOTUYNIPSY-ZDUSSCGKSA-N 0 3 301.346 2.079 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001350934923 1151430814 /nfs/dbraw/zinc/43/08/14/1151430814.db2.gz BQWKGEKEUAWVEE-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001524174966 1069842247 /nfs/dbraw/zinc/84/22/47/1069842247.db2.gz SKQBNDMGFGLHFO-AWEZNQCLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccc(F)cc2C)CC1 ZINC001328558648 1148810067 /nfs/dbraw/zinc/81/00/67/1148810067.db2.gz NVYHYDHPPWYRAE-UHFFFAOYSA-N 0 3 320.408 2.267 20 30 DEEDHN CN(CCCN(C)C(=O)C(F)F)Cc1ccc(C#N)c(F)c1 ZINC001368519750 1148475266 /nfs/dbraw/zinc/47/52/66/1148475266.db2.gz GBFRUCOXRBVBMG-UHFFFAOYSA-N 0 3 313.323 2.243 20 30 DEEDHN C[N@H+](CCCSCC#N)Cc1cc(-c2nnn[n-]2)cs1 ZINC001604755974 1070487487 /nfs/dbraw/zinc/48/74/87/1070487487.db2.gz GNRAKGPCITWDEA-UHFFFAOYSA-N 0 3 308.436 2.007 20 30 DEEDHN C[N@@H+](CCCSCC#N)Cc1cc(-c2nnn[n-]2)cs1 ZINC001604755974 1070487493 /nfs/dbraw/zinc/48/74/93/1070487493.db2.gz GNRAKGPCITWDEA-UHFFFAOYSA-N 0 3 308.436 2.007 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC1(F)F ZINC001328686937 1148824585 /nfs/dbraw/zinc/82/45/85/1148824585.db2.gz SDIMCNYJSAGONT-ARFHVFGLSA-N 0 3 318.367 2.427 20 30 DEEDHN CC(C)C(=O)NC[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001368540138 1148485576 /nfs/dbraw/zinc/48/55/76/1148485576.db2.gz MVYWXODLIGPXAD-CTYIDZIISA-N 0 3 303.381 2.338 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001328765390 1148832908 /nfs/dbraw/zinc/83/29/08/1148832908.db2.gz KMENFIKMBSULCV-MRXNPFEDSA-N 0 3 317.433 2.462 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1cncs1)C1CCCC1 ZINC001500076670 1058473291 /nfs/dbraw/zinc/47/32/91/1058473291.db2.gz JLTSJQOUHFGRGT-RISCZKNCSA-N 0 3 306.435 2.067 20 30 DEEDHN C=CCC[C@H]1CCCN1Cc1nc(-c2cc(OC)ncn2)no1 ZINC001460887484 1058530295 /nfs/dbraw/zinc/53/02/95/1058530295.db2.gz VUASVTHLNQNYNW-LBPRGKRZSA-N 0 3 315.377 2.466 20 30 DEEDHN C#CCOCCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001500220465 1058614753 /nfs/dbraw/zinc/61/47/53/1058614753.db2.gz SYHIAZCWVJNQST-KRWDZBQOSA-N 0 3 320.458 2.177 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001500293358 1058668623 /nfs/dbraw/zinc/66/86/23/1058668623.db2.gz UMJIIKYBJOCBKX-SCLBCKFNSA-N 0 3 318.465 2.362 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001500293184 1058670041 /nfs/dbraw/zinc/67/00/41/1058670041.db2.gz RTPFDDVEOXHIPI-MJGOQNOKSA-N 0 3 316.445 2.401 20 30 DEEDHN C=C[C@H](CO)NCc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001461660184 1058691248 /nfs/dbraw/zinc/69/12/48/1058691248.db2.gz JUNNKDHDTDYGFP-CQSZACIVSA-N 0 3 321.808 2.252 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CCc2scnc2C)CC1 ZINC001500457421 1058800848 /nfs/dbraw/zinc/80/08/48/1058800848.db2.gz LQAPMXMFNVPNBX-UHFFFAOYSA-N 0 3 319.474 2.236 20 30 DEEDHN C=C[C@H](C(=O)NCC1(NCCF)CCOCC1)c1ccccc1 ZINC001500600341 1058947547 /nfs/dbraw/zinc/94/75/47/1058947547.db2.gz FFCYVPVUKFGUMO-INIZCTEOSA-N 0 3 320.408 2.181 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CN([C@H](C)COC)CCC1(F)F ZINC001500614159 1058965278 /nfs/dbraw/zinc/96/52/78/1058965278.db2.gz RQYNTLYTWDVVOH-OLZOCXBDSA-N 0 3 318.408 2.307 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)CCCCc2ccccc2)C1 ZINC001500717676 1059034882 /nfs/dbraw/zinc/03/48/82/1059034882.db2.gz CYNIICNXOMAXSR-LJQANCHMSA-N 0 3 316.445 2.138 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001500732435 1059047319 /nfs/dbraw/zinc/04/73/19/1059047319.db2.gz ILBOISDQUJNZJV-WMZOPIPTSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001500766836 1059075195 /nfs/dbraw/zinc/07/51/95/1059075195.db2.gz UKFWLRFSYJLKSS-KBXCAEBGSA-N 0 3 320.408 2.058 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C\CNC(=O)[C@H]1CCCCN1CC ZINC001533519660 1071866503 /nfs/dbraw/zinc/86/65/03/1071866503.db2.gz MGIYLOLNXKYKFT-MWWKQMNYSA-N 0 3 321.465 2.006 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)c1cccc(C2CCC2)c1 ZINC001501506407 1059518637 /nfs/dbraw/zinc/51/86/37/1059518637.db2.gz WWDDADBGGVXPJX-UHFFFAOYSA-N 0 3 314.429 2.002 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001533721178 1071896105 /nfs/dbraw/zinc/89/61/05/1071896105.db2.gz GAAMQCCQXCYKSN-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(=O)OC)c(F)c1 ZINC001467727973 1059694674 /nfs/dbraw/zinc/69/46/74/1059694674.db2.gz YFUUAIXUWRMSND-UHFFFAOYSA-N 0 3 322.380 2.192 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CCCCC2(C)C)CCC1 ZINC001502030855 1059883868 /nfs/dbraw/zinc/88/38/68/1059883868.db2.gz NYIIQKFYAZURKU-INIZCTEOSA-N 0 3 320.477 2.481 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)CCC(C)(C)C)CCO1 ZINC001502088143 1059920203 /nfs/dbraw/zinc/92/02/03/1059920203.db2.gz WYBVFDPGLSWHQB-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2CCC(C3CC3)CC2)CCO1 ZINC001502090561 1059922960 /nfs/dbraw/zinc/92/29/60/1059922960.db2.gz WMKXWRDTTHGKBQ-ABHNRTSZSA-N 0 3 318.461 2.043 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1Cl ZINC001496028363 1060180533 /nfs/dbraw/zinc/18/05/33/1060180533.db2.gz PEKRSLROQNIRIZ-KGLIPLIRSA-N 0 3 317.820 2.288 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@](CO)(NC[C@@H](F)CC)C1 ZINC001502570800 1060183717 /nfs/dbraw/zinc/18/37/17/1060183717.db2.gz SHCOOYNGDOZEDT-YOEHRIQHSA-N 0 3 314.445 2.280 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC001502817700 1060321466 /nfs/dbraw/zinc/32/14/66/1060321466.db2.gz INMPXBUCBGAHKG-CQSZACIVSA-N 0 3 323.462 2.176 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(O)(CNCC(=C)Cl)CC1 ZINC001502870291 1060364746 /nfs/dbraw/zinc/36/47/46/1060364746.db2.gz JUVKPZWHVAEABA-UHFFFAOYSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001502933159 1060398169 /nfs/dbraw/zinc/39/81/69/1060398169.db2.gz JMTHZFIGANMTCT-ZIAGYGMSSA-N 0 3 313.873 2.192 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCN(CCOCC(C)C)[C@H](C)C1 ZINC001502923411 1060398431 /nfs/dbraw/zinc/39/84/31/1060398431.db2.gz QLFXQMNGUDOEPP-IAGOWNOFSA-N 0 3 308.466 2.288 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001505386308 1060517164 /nfs/dbraw/zinc/51/71/64/1060517164.db2.gz KKDMDEIEPGCMAP-HZPDHXFCSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCn1cc(C)cn1 ZINC001505416803 1060553025 /nfs/dbraw/zinc/55/30/25/1060553025.db2.gz YITIFFVQKJNYSW-IEBWSBKVSA-N 0 3 324.428 2.139 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1ccc(C)n1C ZINC001505418705 1060557265 /nfs/dbraw/zinc/55/72/65/1060557265.db2.gz AFSJBSVANOJRMQ-MRXNPFEDSA-N 0 3 319.449 2.073 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2cccnc2n1 ZINC001505431331 1060583941 /nfs/dbraw/zinc/58/39/41/1060583941.db2.gz TVAGGYXWHVDQHY-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@H]1CN(C)CC=C ZINC001505455502 1060625314 /nfs/dbraw/zinc/62/53/14/1060625314.db2.gz BUMMZGLGTGPLIP-HNNXBMFYSA-N 0 3 315.417 2.369 20 30 DEEDHN C#Cc1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC001474157784 1060825557 /nfs/dbraw/zinc/82/55/57/1060825557.db2.gz XRFUTWNGFFCINS-INIZCTEOSA-N 0 3 311.406 2.329 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccn1 ZINC001474191303 1060830916 /nfs/dbraw/zinc/83/09/16/1060830916.db2.gz JAARLBSAMXONSG-ZACQAIPSSA-N 0 3 316.449 2.476 20 30 DEEDHN C#CCCCC(=O)N(C)CC(C)(C)CNCc1cnc(C)o1 ZINC001505809818 1060987572 /nfs/dbraw/zinc/98/75/72/1060987572.db2.gz QVNIEDXJJMTGKA-UHFFFAOYSA-N 0 3 305.422 2.361 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@@H]1CCCCC1(F)F ZINC001505968946 1061187475 /nfs/dbraw/zinc/18/74/75/1061187475.db2.gz GNUDJZHJSPIKMU-KBPBESRZSA-N 0 3 318.408 2.451 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1occc1Br ZINC001506022060 1061278239 /nfs/dbraw/zinc/27/82/39/1061278239.db2.gz UNTWWKPTCFCDOJ-VIFPVBQESA-N 0 3 301.184 2.278 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001479320272 1061393228 /nfs/dbraw/zinc/39/32/28/1061393228.db2.gz IMQODVUHAZQLCW-MQYQWHSLSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)Cn1ccnc1 ZINC001479525400 1061492974 /nfs/dbraw/zinc/49/29/74/1061492974.db2.gz MAOLQWFAVIWMGH-HIFRSBDPSA-N 0 3 324.856 2.242 20 30 DEEDHN C#CCCCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CC#C ZINC001479615425 1061522613 /nfs/dbraw/zinc/52/26/13/1061522613.db2.gz AGQIMLGMMHRWSN-MANSERQUSA-N 0 3 312.457 2.372 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccccc1 ZINC001479618511 1061526136 /nfs/dbraw/zinc/52/61/36/1061526136.db2.gz YLRAHKFUFZJPME-IAGOWNOFSA-N 0 3 302.418 2.183 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001329086958 1148863957 /nfs/dbraw/zinc/86/39/57/1148863957.db2.gz RAGRLEYPPHGGDB-ZIAGYGMSSA-N 0 3 313.376 2.302 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2cnn(C)c2)[C@H]1CC ZINC001479639116 1061549371 /nfs/dbraw/zinc/54/93/71/1061549371.db2.gz MZBDXKNCRGVBDM-CWRNSKLLSA-N 0 3 304.438 2.069 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cc(C)sc2C)C1 ZINC001479654915 1061568424 /nfs/dbraw/zinc/56/84/24/1061568424.db2.gz QQADWVIHIUOBPS-HNNXBMFYSA-N 0 3 322.474 2.450 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCCC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001479689072 1061603307 /nfs/dbraw/zinc/60/33/07/1061603307.db2.gz XSSTZIADHKPUEU-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)OCC(C)C)CC(C)(C)C1 ZINC001479745698 1061675495 /nfs/dbraw/zinc/67/54/95/1061675495.db2.gz PGQQMAKZEHGURF-JKSUJKDBSA-N 0 3 308.466 2.288 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001479814797 1061832292 /nfs/dbraw/zinc/83/22/92/1061832292.db2.gz PKNVXTQXYXOLQB-INIZCTEOSA-N 0 3 316.445 2.335 20 30 DEEDHN CCN(CCCNC(=O)[C@H](C)C#N)Cc1cnn(C(C)(C)C)c1 ZINC001479839451 1061879378 /nfs/dbraw/zinc/87/93/78/1061879378.db2.gz RRCAPOPJYJLXRS-CQSZACIVSA-N 0 3 319.453 2.126 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H](CCC(C)C)NC(C)=O)CC1 ZINC001479895971 1062003952 /nfs/dbraw/zinc/00/39/52/1062003952.db2.gz FVTHRJXMXVMMDJ-KRWDZBQOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1CCC[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001479904081 1062028978 /nfs/dbraw/zinc/02/89/78/1062028978.db2.gz SXWCFGOEYJDMMV-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(CNCc2cncs2)CCCCC1 ZINC001506500178 1062052101 /nfs/dbraw/zinc/05/21/01/1062052101.db2.gz NNFCEKQOLFLOMP-GFCCVEGCSA-N 0 3 306.435 2.211 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2c(C)cccc2C)C1 ZINC001479970153 1062130860 /nfs/dbraw/zinc/13/08/60/1062130860.db2.gz JONGMLUZELJBFL-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001506633509 1062214772 /nfs/dbraw/zinc/21/47/72/1062214772.db2.gz PTHOKPKYMGRBQJ-CYBMUJFWSA-N 0 3 319.836 2.046 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)Cc2ccc(CC)cn2)C1 ZINC001506655451 1062242085 /nfs/dbraw/zinc/24/20/85/1062242085.db2.gz MVYKEJGQTJFKEN-AWEZNQCLSA-N 0 3 301.434 2.199 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cnn1C ZINC001480098457 1062322327 /nfs/dbraw/zinc/32/23/27/1062322327.db2.gz OAJLHIFALLRFLT-OAGGEKHMSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001480115564 1062346617 /nfs/dbraw/zinc/34/66/17/1062346617.db2.gz DOUVMBCALLFEGY-JTQLQIEISA-N 0 3 312.747 2.446 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2cncc3ccccc32)C1 ZINC001480254458 1062538255 /nfs/dbraw/zinc/53/82/55/1062538255.db2.gz AZOGPIOFOQKZGK-INIZCTEOSA-N 0 3 321.424 2.239 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001480260782 1062554475 /nfs/dbraw/zinc/55/44/75/1062554475.db2.gz CTAJPMYFMXLWML-IRXDYDNUSA-N 0 3 313.445 2.427 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)NCc2cccc(OC)n2)C1 ZINC001329124121 1148867031 /nfs/dbraw/zinc/86/70/31/1148867031.db2.gz CQAJZTRQYJPEIE-ZIAGYGMSSA-N 0 3 317.433 2.429 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001480380173 1062755433 /nfs/dbraw/zinc/75/54/33/1062755433.db2.gz QFOBIBZTZSTXFQ-IRXDYDNUSA-N 0 3 320.477 2.455 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1scnc1C(F)F ZINC001507100979 1062833416 /nfs/dbraw/zinc/83/34/16/1062833416.db2.gz NILASEVLGIARTG-SECBINFHSA-N 0 3 301.362 2.154 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C(F)(F)F)cn1 ZINC001507106116 1062841776 /nfs/dbraw/zinc/84/17/76/1062841776.db2.gz OCUYCEOQKDCKQM-NSHDSACASA-N 0 3 313.323 2.174 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1occc1Br ZINC001507137449 1062899461 /nfs/dbraw/zinc/89/94/61/1062899461.db2.gz MLJRFZVOIXLCGW-JTQLQIEISA-N 0 3 313.195 2.116 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](C)NCc2ccc(OC)nc2)C1 ZINC001507119489 1062869618 /nfs/dbraw/zinc/86/96/18/1062869618.db2.gz FKFYSSJEEBCUEC-CQSZACIVSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CO)N[C@H](C)c1cccc(C)c1 ZINC001507223271 1062979302 /nfs/dbraw/zinc/97/93/02/1062979302.db2.gz WWOGTXJGKFPCSP-GDBMZVCRSA-N 0 3 304.434 2.335 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C(C)(C)F ZINC001507270499 1063010922 /nfs/dbraw/zinc/01/09/22/1063010922.db2.gz RDPAPJCCAPJZDU-GDBMZVCRSA-N 0 3 302.393 2.365 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001480577234 1063063403 /nfs/dbraw/zinc/06/34/03/1063063403.db2.gz WMABMCWAGXCFSE-OAHLLOKOSA-N 0 3 316.445 2.342 20 30 DEEDHN C=CCCC(=O)N1C[C@H](NCc2ccnc(N(C)C)c2)C[C@@H]1C ZINC001507310492 1063073897 /nfs/dbraw/zinc/07/38/97/1063073897.db2.gz XHEWHEZVXGWLSC-GOEBONIOSA-N 0 3 316.449 2.193 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001480614466 1063105516 /nfs/dbraw/zinc/10/55/16/1063105516.db2.gz DDDVNSUCAMXINY-AWEZNQCLSA-N 0 3 319.474 2.500 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@H](NCc3ccn(C)n3)[C@@H]2C1 ZINC001507360034 1063152546 /nfs/dbraw/zinc/15/25/46/1063152546.db2.gz JQZKDCHGFLLXLZ-UAGQMJEPSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCc3nc(C)cs3)CCC[C@@H]12 ZINC001507360622 1063152690 /nfs/dbraw/zinc/15/26/90/1063152690.db2.gz YDVJEQAYTYJMHK-PBHICJAKSA-N 0 3 317.458 2.131 20 30 DEEDHN C=CCCC(=O)N1C[C@@H]2CCC[C@H](NCc3ccn(C)n3)[C@H]2C1 ZINC001507360037 1063153206 /nfs/dbraw/zinc/15/32/06/1063153206.db2.gz JQZKDCHGFLLXLZ-XIRDDKMYSA-N 0 3 316.449 2.103 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)CN(C)CCC)[C@@H]1C ZINC001507388555 1063215113 /nfs/dbraw/zinc/21/51/13/1063215113.db2.gz WGLXHCBKMBFMMW-UONOGXRCSA-N 0 3 301.862 2.050 20 30 DEEDHN CC[C@H](F)CN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC001507432534 1063280931 /nfs/dbraw/zinc/28/09/31/1063280931.db2.gz MHLYWNPBBWACDQ-SMDDNHRTSA-N 0 3 306.385 2.075 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc2c1CCCC2 ZINC001507637323 1063370162 /nfs/dbraw/zinc/37/01/62/1063370162.db2.gz OQJRTDGBPUGFSL-MRXNPFEDSA-N 0 3 316.445 2.116 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1Cc1ccc(F)cn1 ZINC001480817168 1063386154 /nfs/dbraw/zinc/38/61/54/1063386154.db2.gz BSEAJVNSGHICOA-XJKSGUPXSA-N 0 3 318.396 2.241 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H]1Cc2cc(F)ccc2O1)C(C)C ZINC001507840443 1063434127 /nfs/dbraw/zinc/43/41/27/1063434127.db2.gz HYUJTIJHBNVBJA-QGZVFWFLSA-N 0 3 320.408 2.484 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCc2n[nH]cc2C1)C(C)C ZINC001507855326 1063441111 /nfs/dbraw/zinc/44/11/11/1063441111.db2.gz PWMIEKYSPKVDMW-HNNXBMFYSA-N 0 3 318.465 2.260 20 30 DEEDHN CC#CCCCC(=O)NCC1=CCN(CCOC(C)C)CC1 ZINC001508210972 1063605562 /nfs/dbraw/zinc/60/55/62/1063605562.db2.gz CPALJANUGCUCKN-UHFFFAOYSA-N 0 3 306.450 2.353 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1c(F)ccc2ccncc21 ZINC001493292934 1063699766 /nfs/dbraw/zinc/69/97/66/1063699766.db2.gz IWVATJNBOGBALO-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN CC#CCCCC(=O)NCCN(C[C@@H]1CC[C@H](C)O1)C1CC1 ZINC001493400584 1063773104 /nfs/dbraw/zinc/77/31/04/1063773104.db2.gz BWSOKAVSWUTWSZ-RDJZCZTQSA-N 0 3 306.450 2.328 20 30 DEEDHN Cc1ccc(C(=O)N(C)CCNCc2ccc(F)c(C#N)c2)o1 ZINC001493472218 1063815328 /nfs/dbraw/zinc/81/53/28/1063815328.db2.gz JACTVLMTOLFLGF-UHFFFAOYSA-N 0 3 315.348 2.461 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)CCN[C@@H](C)C(=O)N1CCCCC1 ZINC001493664759 1063906177 /nfs/dbraw/zinc/90/61/77/1063906177.db2.gz VXVNEETUXYUUBG-JKSUJKDBSA-N 0 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/nfs/dbraw/zinc/05/63/65/1064056365.db2.gz TUEWEIIKVGIBCJ-INIZCTEOSA-N 0 3 317.433 2.170 20 30 DEEDHN C#C[C@H](C)N(C)c1nnc(CC(C)C)n1CCN1CC=CCC1 ZINC001539011484 1072358194 /nfs/dbraw/zinc/35/81/94/1072358194.db2.gz FOPCOVIYSSPYKS-INIZCTEOSA-N 0 3 315.465 2.196 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC[C@@H]1CCN(CCF)C1 ZINC001494073655 1064112875 /nfs/dbraw/zinc/11/28/75/1064112875.db2.gz BPFBRJSZZSNODV-OAHLLOKOSA-N 0 3 302.393 2.008 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)CC(C)(C)C=C)CC1 ZINC001494092827 1064120790 /nfs/dbraw/zinc/12/07/90/1064120790.db2.gz RQZDYHXBHUVGQN-UHFFFAOYSA-N 0 3 307.482 2.241 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC001494102244 1064122758 /nfs/dbraw/zinc/12/27/58/1064122758.db2.gz LBJOEUVNIVYVCK-MRXNPFEDSA-N 0 3 307.482 2.075 20 30 DEEDHN C=C1CCC(C(=O)NCCN(CC)CCc2cnn(C)c2)CC1 ZINC001567343727 1064151186 /nfs/dbraw/zinc/15/11/86/1064151186.db2.gz FKVJWCXMZMFRIL-UHFFFAOYSA-N 0 3 318.465 2.147 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1CCCN1CCOCC1CCC1 ZINC001567363294 1064160480 /nfs/dbraw/zinc/16/04/80/1064160480.db2.gz QJXTXKZHUXOKNO-QGZVFWFLSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc(F)c(F)cc1F ZINC001567380274 1064172890 /nfs/dbraw/zinc/17/28/90/1064172890.db2.gz MMHZEJHAJKDKGI-LBPRGKRZSA-N 0 3 312.335 2.413 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001567388976 1064176049 /nfs/dbraw/zinc/17/60/49/1064176049.db2.gz ICRLBQCYMKBPNC-KRWDZBQOSA-N 0 3 306.450 2.045 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)COc1ccc(F)cc1 ZINC001567391122 1064176217 /nfs/dbraw/zinc/17/62/17/1064176217.db2.gz IRTKJFPVIFBQLE-HNNXBMFYSA-N 0 3 306.381 2.361 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001567425811 1064195199 /nfs/dbraw/zinc/19/51/99/1064195199.db2.gz DLWZLFAHVJGVHI-UHFFFAOYSA-N 0 3 315.417 2.130 20 30 DEEDHN C#CCN(C)c1nnc(CC)n1C[C@@H](c1ccccc1)N(C)C ZINC001539182535 1072367199 /nfs/dbraw/zinc/36/71/99/1072367199.db2.gz GZGKWRICKXKMHR-INIZCTEOSA-N 0 3 311.433 2.213 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](CNC(=O)CN(CC)CC)C1 ZINC001494285467 1064201049 /nfs/dbraw/zinc/20/10/49/1064201049.db2.gz OOVZGFUVHQYTAE-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)CC[C@H]1CCCO1)c1ccccc1 ZINC001567656107 1064320268 /nfs/dbraw/zinc/32/02/68/1064320268.db2.gz IJEUSVILRRXYES-MSOLQXFVSA-N 0 3 314.429 2.416 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)c1ccccc1 ZINC001567664803 1064327432 /nfs/dbraw/zinc/32/74/32/1064327432.db2.gz VSINPVSIHZMCFW-WMLDXEAASA-N 0 3 312.417 2.221 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](CC(C)C)OC)C1 ZINC001567688665 1064346077 /nfs/dbraw/zinc/34/60/77/1064346077.db2.gz OMHCCMQNADKMND-IAGOWNOFSA-N 0 3 308.466 2.384 20 30 DEEDHN O=C(NCC[C@@H]1CCN(CC#Cc2ccccc2)C1)c1cocn1 ZINC001567695243 1064351911 /nfs/dbraw/zinc/35/19/11/1064351911.db2.gz YXMULBCYXUZYMZ-QGZVFWFLSA-N 0 3 323.396 2.168 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001567717499 1064373109 /nfs/dbraw/zinc/37/31/09/1064373109.db2.gz 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/nfs/dbraw/zinc/46/94/02/1064469402.db2.gz IWXHECVNRCQMJI-INIZCTEOSA-N 0 3 302.418 2.344 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccccc21 ZINC001567863621 1064471498 /nfs/dbraw/zinc/47/14/98/1064471498.db2.gz HYCGGEYFAREMTJ-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=CCOCC(=O)N(C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001567906511 1064497397 /nfs/dbraw/zinc/49/73/97/1064497397.db2.gz KPNPRCVOHGKDCQ-WBVHZDCISA-N 0 3 302.418 2.483 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001567915758 1064517045 /nfs/dbraw/zinc/51/70/45/1064517045.db2.gz XFJFUYOMTHUSTN-ZDUSSCGKSA-N 0 3 317.389 2.110 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001494912097 1064571122 /nfs/dbraw/zinc/57/11/22/1064571122.db2.gz DMLDNBPQVWLUDL-HZPDHXFCSA-N 0 3 304.438 2.333 20 30 DEEDHN Cc1nc(C)c(CNC[C@@](C)(NC(=O)C#CC2CC2)C2CC2)o1 ZINC001568020193 1064598573 /nfs/dbraw/zinc/59/85/73/1064598573.db2.gz RRKKGRQHMIMUQL-GOSISDBHSA-N 0 3 315.417 2.079 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)C=C1CCCCC1 ZINC001494950127 1064604026 /nfs/dbraw/zinc/60/40/26/1064604026.db2.gz LRRRXJHKGGYEQW-GOEBONIOSA-N 0 3 321.465 2.052 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cccc3c2OCC3)cc1 ZINC001568121092 1064656871 /nfs/dbraw/zinc/65/68/71/1064656871.db2.gz MNSJBIUFKZKSFN-UHFFFAOYSA-N 0 3 320.392 2.274 20 30 DEEDHN CC[C@H](C)CC(=O)N1CCC2(CCN(CC#CCOC)C2)CC1 ZINC001568155808 1064673006 /nfs/dbraw/zinc/67/30/06/1064673006.db2.gz CDUYQUJYYDPXJW-KRWDZBQOSA-N 0 3 320.477 2.387 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001568291429 1064756482 /nfs/dbraw/zinc/75/64/82/1064756482.db2.gz JKWFIOMPNBOAKK-NEPJUHHUSA-N 0 3 307.442 2.213 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001568306182 1064767078 /nfs/dbraw/zinc/76/70/78/1064767078.db2.gz FZWMOXSWTFCRGL-GJZGRUSLSA-N 0 3 320.408 2.016 20 30 DEEDHN C=C[C@H](C(=O)N(C)[C@H](C)CNCC#CCOC)c1ccccc1 ZINC001568320869 1064775695 /nfs/dbraw/zinc/77/56/95/1064775695.db2.gz 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COCC#CCNC[C@H](C)N(C)C(=O)c1sccc1Cl ZINC001496066553 1065260135 /nfs/dbraw/zinc/26/01/35/1065260135.db2.gz LWIOFCIRKGVTDU-NSHDSACASA-N 0 3 314.838 2.101 20 30 DEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCC(=O)NC1CCCC1 ZINC001496072071 1065263598 /nfs/dbraw/zinc/26/35/98/1065263598.db2.gz NYKXKBWIOSRHPH-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001496094268 1065273540 /nfs/dbraw/zinc/27/35/40/1065273540.db2.gz ZNYYVSVOPCBVRR-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)CCOCc1ccccc1 ZINC001569114703 1065294848 /nfs/dbraw/zinc/29/48/48/1065294848.db2.gz BVNJQBYSZVVRHM-KRWDZBQOSA-N 0 3 316.445 2.299 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001496140580 1065299342 /nfs/dbraw/zinc/29/93/42/1065299342.db2.gz YJFSIDCLEWYBQK-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(CCCNCc1cc(C#N)ccc1F)C(=O)c1cc[nH]c1 ZINC001569205745 1065366349 /nfs/dbraw/zinc/36/63/49/1065366349.db2.gz 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/nfs/dbraw/zinc/95/09/21/1068950921.db2.gz HQJKIQGGZYXRLN-SNVBAGLBSA-N 0 3 324.812 2.192 20 30 DEEDHN Cc1cc(C)nc(C(=O)N(C)CCNCc2cccc(C#N)c2)c1 ZINC001267393562 1078827641 /nfs/dbraw/zinc/82/76/41/1078827641.db2.gz LJUJQHRJVRGPKA-UHFFFAOYSA-N 0 3 322.412 2.432 20 30 DEEDHN C=CC[C@H](NC(=O)NC[C@H]1CCCCN1C)c1ccncc1 ZINC001518995585 1069025564 /nfs/dbraw/zinc/02/55/64/1069025564.db2.gz FBELQQDIHVMVAA-CVEARBPZSA-N 0 3 302.422 2.482 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)OC)OCC ZINC001267409319 1078838007 /nfs/dbraw/zinc/83/80/07/1078838007.db2.gz DOTTZCLKMYWDJO-NCOADZHNSA-N 0 3 324.465 2.068 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001267427619 1078847170 /nfs/dbraw/zinc/84/71/70/1078847170.db2.gz OVGIKWDAITWEQH-UHFFFAOYSA-N 0 3 314.429 2.050 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCCSC ZINC001520460108 1069141246 /nfs/dbraw/zinc/14/12/46/1069141246.db2.gz QJCRWQRXXJFCDK-CQSZACIVSA-N 0 3 323.510 2.463 20 30 DEEDHN C=C(CC)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001521676651 1069260593 /nfs/dbraw/zinc/26/05/93/1069260593.db2.gz HCPQWYLCQIORNU-ZWKOTPCHSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001574903419 1069292671 /nfs/dbraw/zinc/29/26/71/1069292671.db2.gz QIEWUUNZPORADQ-AWEZNQCLSA-N 0 3 322.840 2.067 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001483730690 1078896003 /nfs/dbraw/zinc/89/60/03/1078896003.db2.gz UURFETIDBVNMIT-DYVFJYSZSA-N 0 3 320.408 2.452 20 30 DEEDHN CN(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001542887636 1072469472 /nfs/dbraw/zinc/46/94/72/1072469472.db2.gz SFXOXCBHBUEHKW-IEWAYXNBSA-N 0 3 318.392 2.397 20 30 DEEDHN CC(C)N(CCCNC(=O)[C@@H](C)C#N)Cc1ccc(F)cn1 ZINC001267499518 1078927576 /nfs/dbraw/zinc/92/75/76/1078927576.db2.gz YZIXKGOGGDZGGQ-ZDUSSCGKSA-N 0 3 306.385 2.097 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](NCC(=C)C)c1ccccc1 ZINC001267521307 1078952179 /nfs/dbraw/zinc/95/21/79/1078952179.db2.gz ROTMBPRWDHENAK-WBVHZDCISA-N 0 3 300.402 2.048 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3[nH]c(CC)nc3C)CC2)C1=O ZINC001272572337 1078967735 /nfs/dbraw/zinc/96/77/35/1078967735.db2.gz ARYUUUWLAMUOJB-UHFFFAOYSA-N 0 3 316.449 2.281 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCCOCC2)C1 ZINC001267540553 1078970785 /nfs/dbraw/zinc/97/07/85/1078970785.db2.gz OTJSHZGEQPYCJA-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cc(OC)ccn2)C1 ZINC001267546029 1078975584 /nfs/dbraw/zinc/97/55/84/1078975584.db2.gz HGLMMXKEAQKYGX-OAHLLOKOSA-N 0 3 315.417 2.040 20 30 DEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1ccc(C)o1)CC2 ZINC001272587672 1078987801 /nfs/dbraw/zinc/98/78/01/1078987801.db2.gz OKDQSBXGKJCTCN-UHFFFAOYSA-N 0 3 300.402 2.426 20 30 DEEDHN CCN(CCNC(=O)c1cc(C)on1)Cc1ccc(C#N)cc1 ZINC001480962010 1078998894 /nfs/dbraw/zinc/99/88/94/1078998894.db2.gz WYQBERMGRSUUOF-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C=C(Br)CNCC[C@H](C)NC(=O)c1cccn1C ZINC001272657269 1079058676 /nfs/dbraw/zinc/05/86/76/1079058676.db2.gz LBZXOZKTJTZYEJ-NSHDSACASA-N 0 3 314.227 2.032 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC001646033686 1079083546 /nfs/dbraw/zinc/08/35/46/1079083546.db2.gz NYIUJBDWBSFCLN-YFKTTZPYSA-N 0 3 322.758 2.470 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(OC)cc3F)C2)C1=O ZINC001272669276 1079097145 /nfs/dbraw/zinc/09/71/45/1079097145.db2.gz ZWGRVRXHGWLOPH-SFHVURJKSA-N 0 3 318.392 2.445 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cn1nc(C)cc1C)c1ccccc1 ZINC001649439734 1079119751 /nfs/dbraw/zinc/11/97/51/1079119751.db2.gz GLMVRCBADBXTAW-QGZVFWFLSA-N 0 3 312.417 2.133 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc3c2OCC3(C)C)CC1 ZINC001483797410 1079128203 /nfs/dbraw/zinc/12/82/03/1079128203.db2.gz QEVKSDXNSHYUNJ-UHFFFAOYSA-N 0 3 312.413 2.232 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001649457292 1079128322 /nfs/dbraw/zinc/12/83/22/1079128322.db2.gz JSPCFSBTVUOUMB-VUDGCMKMSA-N 0 3 300.830 2.158 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2(COCC)CC2)C1 ZINC001368641878 1148544709 /nfs/dbraw/zinc/54/47/09/1148544709.db2.gz UDTLYXZQHFZRGX-UONOGXRCSA-N 0 3 314.857 2.430 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NCc2ccn(CC)n2)C[C@H]1C ZINC001483899610 1079172223 /nfs/dbraw/zinc/17/22/23/1079172223.db2.gz RQDMUMURABMSFK-HUUCEWRRSA-N 0 3 304.438 2.338 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C(C)(C)C(=C)C)CC1 ZINC001267609102 1079206115 /nfs/dbraw/zinc/20/61/15/1079206115.db2.gz OZMXHVCSFKANOA-UHFFFAOYSA-N 0 3 307.482 2.241 20 30 DEEDHN C#CCN(C(=O)c1coc(CC)n1)C1CCN(CC(=C)C)CC1 ZINC001483982848 1079219416 /nfs/dbraw/zinc/21/94/16/1079219416.db2.gz IGHRTNKOQYRVIK-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C=CCOC[C@@H](O)CNCc1cc(F)cc(Br)c1 ZINC001252450743 1093555910 /nfs/dbraw/zinc/55/59/10/1093555910.db2.gz HBXKWRLOWVLVQV-ZDUSSCGKSA-N 0 3 318.186 2.241 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](OCC)C1CC1)C2 ZINC001484021065 1079246485 /nfs/dbraw/zinc/24/64/85/1079246485.db2.gz XSYHEQKGOBKRIO-MJGOQNOKSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1c(F)ccc(F)c1OC ZINC001481143921 1079251409 /nfs/dbraw/zinc/25/14/09/1079251409.db2.gz PUZNIGAEYXKZQE-UHFFFAOYSA-N 0 3 310.344 2.048 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001484069961 1079284834 /nfs/dbraw/zinc/28/48/34/1079284834.db2.gz DDKKQZFSMKESRJ-SFHVURJKSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCN(CCNC(=O)C1(C(F)(F)F)CCOCC1)C1CC1 ZINC001481170103 1079285210 /nfs/dbraw/zinc/28/52/10/1079285210.db2.gz DMKCZMKDYYWNPL-UHFFFAOYSA-N 0 3 320.355 2.112 20 30 DEEDHN CC(C)CN1C[C@H](C(=O)C(C#N)c2ncc(F)cc2F)CC1=O ZINC001646918088 1074693585 /nfs/dbraw/zinc/69/35/85/1074693585.db2.gz IBXOGLUBMFHWRL-ZYHUDNBSSA-N 0 3 321.327 2.041 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc3n(c2)CCCC3)CC1 ZINC001484146821 1079322696 /nfs/dbraw/zinc/32/26/96/1079322696.db2.gz LBLSTWQPAOTMJN-UHFFFAOYSA-N 0 3 313.445 2.290 20 30 DEEDHN Cc1ccc(CN2CCCN(c3cc(C#N)cnn3)CC2)cc1 ZINC001647282203 1074869016 /nfs/dbraw/zinc/86/90/16/1074869016.db2.gz UOKGKQFVFJYBIS-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CCC(C)(C)N1CCN(c2nnc(CC(C)(C)C#N)n2C)CC1 ZINC001647691146 1074971203 /nfs/dbraw/zinc/97/12/03/1074971203.db2.gz WHFBKEXTWKGRFM-UHFFFAOYSA-N 0 3 318.469 2.218 20 30 DEEDHN CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)CC#N ZINC001647707983 1074975572 /nfs/dbraw/zinc/97/55/72/1074975572.db2.gz UKPJXGHIWYKDIB-UONOGXRCSA-N 0 3 318.469 2.408 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001566689405 1074978872 /nfs/dbraw/zinc/97/88/72/1074978872.db2.gz MYPIOTOJBMAAFI-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2scnc2C)C1 ZINC001566772117 1075001414 /nfs/dbraw/zinc/00/14/14/1075001414.db2.gz UIFGBBBENNIITG-AWEZNQCLSA-N 0 3 305.447 2.336 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccnc2N(C)C)C1 ZINC001484176830 1079346459 /nfs/dbraw/zinc/34/64/59/1079346459.db2.gz XKAHDPVKGSYZGG-SFHVURJKSA-N 0 3 316.449 2.166 20 30 DEEDHN N#Cc1cccc([N+](=O)[O-])c1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001559270349 1075117684 /nfs/dbraw/zinc/11/76/84/1075117684.db2.gz NRMKOMSQTIWYRQ-HNNXBMFYSA-N 0 3 324.340 2.323 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)C[C@H](C)c2ccccc2F)C1 ZINC001484245911 1079366527 /nfs/dbraw/zinc/36/65/27/1079366527.db2.gz YWLZSBHKDVTEMA-KBXCAEBGSA-N 0 3 320.408 2.058 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2csc(Cl)c2)C1 ZINC001484241140 1079366715 /nfs/dbraw/zinc/36/67/15/1079366715.db2.gz MLGOKKPGFWMXPM-AWEZNQCLSA-N 0 3 314.838 2.144 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1conc1COC ZINC001565832230 1075192029 /nfs/dbraw/zinc/19/20/29/1075192029.db2.gz XJIGXLPCIYMJOL-ZIAGYGMSSA-N 0 3 321.421 2.322 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1CC=CC1 ZINC001565839193 1075194728 /nfs/dbraw/zinc/19/47/28/1075194728.db2.gz ATHMSXLBBDOJPO-IZAXUBKRSA-N 0 3 308.425 2.489 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001484252003 1079370030 /nfs/dbraw/zinc/37/00/30/1079370030.db2.gz JMJIGVDUSWSGGD-QFBILLFUSA-N 0 3 316.445 2.228 20 30 DEEDHN O=C(NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC001565874882 1075201961 /nfs/dbraw/zinc/20/19/61/1075201961.db2.gz YWTSMRHDUXVDAJ-KZNAEPCWSA-N 0 3 308.425 2.323 20 30 DEEDHN C#CCCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC(C)=O ZINC001565992155 1075213329 /nfs/dbraw/zinc/21/33/29/1075213329.db2.gz CZEQGATYLAMUCI-BPQIPLTHSA-N 0 3 318.461 2.374 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)COCCC ZINC001565992482 1075213733 /nfs/dbraw/zinc/21/37/33/1075213733.db2.gz IDDBJCVNGHYFEI-HYVNUMGLSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1[C@H]2CCCN(CC#C)[C@H]2C1(C)C ZINC001565994028 1075213902 /nfs/dbraw/zinc/21/39/02/1075213902.db2.gz ZYUZZJJMBUHNCA-KBAYOESNSA-N 0 3 300.446 2.418 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCCc2nc(C3CC3)no2)[C@H]1C ZINC001566106027 1075229608 /nfs/dbraw/zinc/22/96/08/1075229608.db2.gz ANUGLQBJLSJEEM-OCCSQVGLSA-N 0 3 318.421 2.035 20 30 DEEDHN CCO[C@H](C)C(=O)NCCCN(CC)CC#Cc1ccccc1 ZINC001566541066 1075275523 /nfs/dbraw/zinc/27/55/23/1075275523.db2.gz JOICNQNRTXDIGO-QGZVFWFLSA-N 0 3 316.445 2.291 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@H](NCc1cncc(C#N)c1)C1CC1 ZINC001650054246 1079381453 /nfs/dbraw/zinc/38/14/53/1079381453.db2.gz RRVVWEYARONJLJ-HNNXBMFYSA-N 0 3 316.405 2.346 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2ccc(CC)s2)CC1 ZINC001566650562 1075304879 /nfs/dbraw/zinc/30/48/79/1075304879.db2.gz MOMLALSSENOXAM-UHFFFAOYSA-N 0 3 321.490 2.234 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2cccc(Cl)c2)CC1 ZINC001566653241 1075306042 /nfs/dbraw/zinc/30/60/42/1075306042.db2.gz HWFCRRRDZBQGGJ-UHFFFAOYSA-N 0 3 321.852 2.264 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001566707885 1075323229 /nfs/dbraw/zinc/32/32/29/1075323229.db2.gz NCQMEHSQDTTZQT-FZMZJTMJSA-N 0 3 321.248 2.117 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001566788895 1075344506 /nfs/dbraw/zinc/34/45/06/1075344506.db2.gz YPLXIXSHDWEQFO-HDJSIYSDSA-N 0 3 305.447 2.300 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](NCc3conc3C)C2)CCC1 ZINC001566851964 1075361867 /nfs/dbraw/zinc/36/18/67/1075361867.db2.gz GPCIQXOXZYEUCV-GASCZTMLSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)Cc1occc1C ZINC001566925107 1075387724 /nfs/dbraw/zinc/38/77/24/1075387724.db2.gz ARKVEOHSIVOSFH-MRXNPFEDSA-N 0 3 320.433 2.304 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NCc1cc(C)ccc1F ZINC001567053857 1075424033 /nfs/dbraw/zinc/42/40/33/1075424033.db2.gz FVBLCMOZJUHUFO-LXZKKBNFSA-N 0 3 320.408 2.320 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)CCCOc1cccc(C)c1 ZINC001567075858 1075428002 /nfs/dbraw/zinc/42/80/02/1075428002.db2.gz JAPCGUOSTURTEB-INIZCTEOSA-N 0 3 302.418 2.272 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2coc(CC3CC3)n2)C1 ZINC001567199361 1075461837 /nfs/dbraw/zinc/46/18/37/1075461837.db2.gz FPYHXZCYUACOFH-HNNXBMFYSA-N 0 3 315.417 2.187 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1cc(C)ncn1 ZINC001567228544 1075468736 /nfs/dbraw/zinc/46/87/36/1075468736.db2.gz ARYHZEGBCYIFNQ-CXAGYDPISA-N 0 3 304.438 2.372 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2snnc2C)C1 ZINC001567229791 1075468799 /nfs/dbraw/zinc/46/87/99/1075468799.db2.gz YNOUXNRGSPYBPM-LLVKDONJSA-N 0 3 308.451 2.187 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001329428338 1148893599 /nfs/dbraw/zinc/89/35/99/1148893599.db2.gz PYLNPIGIYVKTAE-KSSFIOAISA-N 0 3 322.424 2.398 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001267740613 1079435129 /nfs/dbraw/zinc/43/51/29/1079435129.db2.gz MTAYKLJWRKTQER-MJGOQNOKSA-N 0 3 316.445 2.321 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC001267755050 1079457292 /nfs/dbraw/zinc/45/72/92/1079457292.db2.gz ZOIZCCOLKBKXED-MRXNPFEDSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCCSCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588617877 1076458091 /nfs/dbraw/zinc/45/80/91/1076458091.db2.gz FNPNQEMTWQSUKY-UHFFFAOYSA-N 0 3 307.398 2.405 20 30 DEEDHN C=CCCSCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588617877 1076458094 /nfs/dbraw/zinc/45/80/94/1076458094.db2.gz FNPNQEMTWQSUKY-UHFFFAOYSA-N 0 3 307.398 2.405 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588726074 1076461579 /nfs/dbraw/zinc/46/15/79/1076461579.db2.gz SBVYRABYHHNASZ-JYJNAYRXSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588726074 1076461582 /nfs/dbraw/zinc/46/15/82/1076461582.db2.gz SBVYRABYHHNASZ-JYJNAYRXSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588726076 1076462031 /nfs/dbraw/zinc/46/20/31/1076462031.db2.gz SBVYRABYHHNASZ-XHSDSOJGSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588726076 1076462033 /nfs/dbraw/zinc/46/20/33/1076462033.db2.gz SBVYRABYHHNASZ-XHSDSOJGSA-N 0 3 313.405 2.499 20 30 DEEDHN C=CCNC(=O)CN[C@H](CC)CNC(=O)C1CCCCCCC1 ZINC001267812292 1079510647 /nfs/dbraw/zinc/51/06/47/1079510647.db2.gz WSLPNOAYAJGWBZ-MRXNPFEDSA-N 0 3 323.481 2.134 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCC(=O)Nc1ccccc1 ZINC001267816837 1079512273 /nfs/dbraw/zinc/51/22/73/1079512273.db2.gz ZKDFAKUMACMBLD-AWEZNQCLSA-N 0 3 317.433 2.322 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]([C@H](C)NCc2nccs2)C1 ZINC001484331422 1079545417 /nfs/dbraw/zinc/54/54/17/1079545417.db2.gz ASGSXTBYMGFWII-UONOGXRCSA-N 0 3 305.447 2.273 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@H]1CNCc1ccccc1C#N ZINC001484374855 1079573941 /nfs/dbraw/zinc/57/39/41/1079573941.db2.gz BWBYIDHUGDTWTJ-WMLDXEAASA-N 0 3 317.408 2.492 20 30 DEEDHN C[C@H](CC#N)C(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001650409527 1079598049 /nfs/dbraw/zinc/59/80/49/1079598049.db2.gz BRJHVDMSSZQGDU-KFWWJZLASA-N 0 3 313.401 2.045 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(C)nc(C)c2)cc1 ZINC001267938248 1079618429 /nfs/dbraw/zinc/61/84/29/1079618429.db2.gz PMFLGGJZOQNHFR-UHFFFAOYSA-N 0 3 307.397 2.351 20 30 DEEDHN Cc1nc(C)c(CNCC[C@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001484519601 1079639408 /nfs/dbraw/zinc/63/94/08/1079639408.db2.gz FZVLNUOKBLJYFM-INIZCTEOSA-N 0 3 315.417 2.033 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2ccnc(OC)c2)C1 ZINC001484526262 1079644519 /nfs/dbraw/zinc/64/45/19/1079644519.db2.gz DRHFOVKMQROTRJ-ZDUSSCGKSA-N 0 3 323.824 2.285 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccn(CC)n1 ZINC001484558047 1079658352 /nfs/dbraw/zinc/65/83/52/1079658352.db2.gz YECFLLKTKSUHAT-UHFFFAOYSA-N 0 3 324.428 2.288 20 30 DEEDHN C=C(C)CCC(=O)NCc1ccc([C@H](C)N[C@H](C)C(N)=O)cc1 ZINC001484560362 1079660762 /nfs/dbraw/zinc/66/07/62/1079660762.db2.gz YTTPWIKIDAEGFQ-UONOGXRCSA-N 0 3 317.433 2.184 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CO1 ZINC001484555870 1079661634 /nfs/dbraw/zinc/66/16/34/1079661634.db2.gz BHNRQLURUBRLGZ-RHSMWYFYSA-N 0 3 302.418 2.346 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089805871 1079683179 /nfs/dbraw/zinc/68/31/79/1079683179.db2.gz LZCGLLFUQYDLIY-QAETUUGQSA-N 0 3 318.848 2.321 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CCC[C@@H]2C)CCC1 ZINC001484635275 1079693970 /nfs/dbraw/zinc/69/39/70/1079693970.db2.gz BTVAGRZBWNUMTL-HOTGVXAUSA-N 0 3 306.450 2.091 20 30 DEEDHN COCC#CCNC1(CNC(=O)C[C@@H]2CCCC[C@H]2C)CCC1 ZINC001484665013 1079718119 /nfs/dbraw/zinc/71/81/19/1079718119.db2.gz YQUNJWAVLGDZJG-SJORKVTESA-N 0 3 320.477 2.481 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H](C)CC2CCCCC2)CCO1 ZINC001484690041 1079724157 /nfs/dbraw/zinc/72/41/57/1079724157.db2.gz KUGRAEGODXGKTO-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cnn(CCC)c1)c1ccccc1 ZINC001481370934 1079762757 /nfs/dbraw/zinc/76/27/57/1079762757.db2.gz OOJVBHAWJPMIDC-GOSISDBHSA-N 0 3 324.428 2.377 20 30 DEEDHN O=C(NCC[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1)C(F)F ZINC001481413262 1079804188 /nfs/dbraw/zinc/80/41/88/1079804188.db2.gz KKZKUKVGLYEXRJ-CQSZACIVSA-N 0 3 324.346 2.271 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H](C)CCC)CCOCC1 ZINC001484861642 1079827804 /nfs/dbraw/zinc/82/78/04/1079827804.db2.gz YUIYNKSBFCBDDX-GFCCVEGCSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C[C@H]1C ZINC001484988548 1079900072 /nfs/dbraw/zinc/90/00/72/1079900072.db2.gz ZNKYFFDUBGYJPO-NXEZZACHSA-N 0 3 312.282 2.176 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)COC(C)(C)C)CC2)C1 ZINC001485007873 1079915154 /nfs/dbraw/zinc/91/51/54/1079915154.db2.gz BITBPWUTNYAXNP-UHFFFAOYSA-N 0 3 324.465 2.071 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001485025279 1079921080 /nfs/dbraw/zinc/92/10/80/1079921080.db2.gz VYYMZXFSOYYNKF-HNNXBMFYSA-N 0 3 320.433 2.211 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC2(CN(C[C@H](C)O)C2)CC1 ZINC001268044380 1079926371 /nfs/dbraw/zinc/92/63/71/1079926371.db2.gz DOEABPYQERBAPP-HNNXBMFYSA-N 0 3 306.450 2.060 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccn1C ZINC001485042388 1079927461 /nfs/dbraw/zinc/92/74/61/1079927461.db2.gz NWSMYWXDHPMZRA-SJLPKXTDSA-N 0 3 307.397 2.034 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CN(C)[C@@H](C)c2cnccn2)C1 ZINC001481481015 1079935609 /nfs/dbraw/zinc/93/56/09/1079935609.db2.gz ZADOETNRPVPVSA-LSDHHAIUSA-N 0 3 302.422 2.284 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1cncc(C)c1 ZINC001485064555 1079942451 /nfs/dbraw/zinc/94/24/51/1079942451.db2.gz ILIBCWWTWKDRFU-KRWDZBQOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cnc2n1CCCCC2 ZINC001485061808 1079953430 /nfs/dbraw/zinc/95/34/30/1079953430.db2.gz CBBKPGDYKUFUNB-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN N#CC1(CNCC2(c3ccc4c(c3)OCO4)CC2)CCOCC1 ZINC001414196847 1079971125 /nfs/dbraw/zinc/97/11/25/1079971125.db2.gz VJXLOEQOMSEVCW-UHFFFAOYSA-N 0 3 314.385 2.357 20 30 DEEDHN C[C@H](CNCC=C(Cl)Cl)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001268056087 1079981967 /nfs/dbraw/zinc/98/19/67/1079981967.db2.gz DKXUGMROKKQAGL-SECBINFHSA-N 0 3 315.204 2.255 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001485153171 1080018403 /nfs/dbraw/zinc/01/84/03/1080018403.db2.gz PUSQFIQDEQEMSN-OLZOCXBDSA-N 0 3 321.469 2.441 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CN[C@@H](C)c1n[nH]c(CC)n1 ZINC001268085515 1080040671 /nfs/dbraw/zinc/04/06/71/1080040671.db2.gz MWJWZANAZYZEBF-OLZOCXBDSA-N 0 3 321.469 2.467 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001656102340 1080043454 /nfs/dbraw/zinc/04/34/54/1080043454.db2.gz JGDQGXCAVBSOKI-KRWDZBQOSA-N 0 3 316.449 2.406 20 30 DEEDHN CC#CCCCC(=O)NC1CC(CNCc2ocnc2C)C1 ZINC001282045698 1080080150 /nfs/dbraw/zinc/08/01/50/1080080150.db2.gz LAKFTBFWPDGUOQ-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)COC)C2)CC1 ZINC001656399318 1080084534 /nfs/dbraw/zinc/08/45/34/1080084534.db2.gz YPXGIRSZBFPTKU-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2ccc(F)cc2C)C1 ZINC001656784702 1080124937 /nfs/dbraw/zinc/12/49/37/1080124937.db2.gz VZFWFBFOTNPRRW-INIZCTEOSA-N 0 3 320.408 2.219 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@H](NCC(=O)NCCC)C1 ZINC001656899738 1080136079 /nfs/dbraw/zinc/13/60/79/1080136079.db2.gz SSFGXNWDZNIIEI-INIZCTEOSA-N 0 3 323.481 2.230 20 30 DEEDHN C=CCC[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001656899052 1080136091 /nfs/dbraw/zinc/13/60/91/1080136091.db2.gz JDMLCDHPAWDWFS-CQSZACIVSA-N 0 3 318.421 2.041 20 30 DEEDHN COCc1cccc(CN(C)[C@@H](C)CNC(=O)C#CC2CC2)c1 ZINC001485304253 1080140705 /nfs/dbraw/zinc/14/07/05/1080140705.db2.gz NVFLJDZMEVCRDL-HNNXBMFYSA-N 0 3 314.429 2.183 20 30 DEEDHN COc1ccc(CN(C)[C@H](C)CNC(=O)C#CC2CC2)cc1C ZINC001485304968 1080140823 /nfs/dbraw/zinc/14/08/23/1080140823.db2.gz YLRDECSIVDJKPU-OAHLLOKOSA-N 0 3 314.429 2.354 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2(C(F)(F)F)CC2)[C@H]1C ZINC001657004747 1080146296 /nfs/dbraw/zinc/14/62/96/1080146296.db2.gz PSUNSFJMCKIWNY-NEPJUHHUSA-N 0 3 320.355 2.111 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)CCn1cc(Cl)cn1 ZINC001485339810 1080153803 /nfs/dbraw/zinc/15/38/03/1080153803.db2.gz KHKYPOAHSLVKKH-CQSZACIVSA-N 0 3 324.856 2.167 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(=O)N(C)CC ZINC001268184487 1080174924 /nfs/dbraw/zinc/17/49/24/1080174924.db2.gz BBOHBPDRFDIJBU-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC[C@H](NCc2cc3ccccc3nc2OC)C1 ZINC001657988600 1080192444 /nfs/dbraw/zinc/19/24/44/1080192444.db2.gz KBDDPJVSPVSOPJ-KRWDZBQOSA-N 0 3 309.413 2.431 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](N[C@H](C)c1n[nH]c(C)n1)C(C)C ZINC001268212729 1080198135 /nfs/dbraw/zinc/19/81/35/1080198135.db2.gz LKIHUDIYWOUNBG-OCCSQVGLSA-N 0 3 307.442 2.261 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001268237998 1080220586 /nfs/dbraw/zinc/22/05/86/1080220586.db2.gz TVAGNYNZVNGXKJ-LSDHHAIUSA-N 0 3 320.408 2.315 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001268237993 1080220667 /nfs/dbraw/zinc/22/06/67/1080220667.db2.gz TVAGNYNZVNGXKJ-CABCVRRESA-N 0 3 320.408 2.315 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CCCC)CN[C@H]1CCN(C)C1=O ZINC001485468812 1080224822 /nfs/dbraw/zinc/22/48/22/1080224822.db2.gz OKHQLUFIHYBAMA-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)C[C@@H](O)CC(F)(F)F ZINC001268244745 1080225357 /nfs/dbraw/zinc/22/53/57/1080225357.db2.gz HBGREHOSUFCUSW-LBPRGKRZSA-N 0 3 324.387 2.292 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1coc(=O)c2ccccc12 ZINC001268246282 1080228003 /nfs/dbraw/zinc/22/80/03/1080228003.db2.gz XTGMTAKXQHNDAK-UHFFFAOYSA-N 0 3 314.385 2.373 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1c(Cl)nn(C)c1Cl ZINC001268252655 1080233266 /nfs/dbraw/zinc/23/32/66/1080233266.db2.gz DIDVPENPILABIX-UHFFFAOYSA-N 0 3 319.236 2.307 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001268253318 1080233479 /nfs/dbraw/zinc/23/34/79/1080233479.db2.gz LTBUEGBLSAJVSW-DLBZAZTESA-N 0 3 314.429 2.212 20 30 DEEDHN C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1[O-] ZINC001659815603 1080251256 /nfs/dbraw/zinc/25/12/56/1080251256.db2.gz ODWOKYKZWUIHOL-CYBMUJFWSA-N 0 3 309.369 2.231 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1F ZINC001481683261 1080297324 /nfs/dbraw/zinc/29/73/24/1080297324.db2.gz VJCNXABAFFKYRJ-GJZGRUSLSA-N 0 3 318.392 2.456 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001660346982 1080314555 /nfs/dbraw/zinc/31/45/55/1080314555.db2.gz ZWQWUODKJFHARV-QGZVFWFLSA-N 0 3 301.434 2.283 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cccnc2C)C(C)(C)C1 ZINC001485575965 1080318676 /nfs/dbraw/zinc/31/86/76/1080318676.db2.gz AAOFXMGYJVRFAX-INIZCTEOSA-N 0 3 317.433 2.033 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CC3(C(F)(F)F)CC3)[C@@H]2C1 ZINC001485603660 1080324650 /nfs/dbraw/zinc/32/46/50/1080324650.db2.gz HYSZTNVAPULMEB-XYYAHUGASA-N 0 3 314.351 2.036 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3ccc(C)cc3Cl)[C@@H]2C1 ZINC001485606710 1080329339 /nfs/dbraw/zinc/32/93/39/1080329339.db2.gz LJXGWCRQJFXJKK-PHZGNYQRSA-N 0 3 316.832 2.118 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CCC)OCC)C[C@]2(C)C1 ZINC001485669347 1080357290 /nfs/dbraw/zinc/35/72/90/1080357290.db2.gz UITVTALUUWUPBP-YTQUADARSA-N 0 3 320.477 2.385 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001660847378 1080407873 /nfs/dbraw/zinc/40/78/73/1080407873.db2.gz GOHUUABCIYQRPM-HZPDHXFCSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001485776793 1080417679 /nfs/dbraw/zinc/41/76/79/1080417679.db2.gz WNSLJFNNIWZOPV-CQSZACIVSA-N 0 3 322.836 2.141 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCN[C@@H](C)c2cnccn2)C1 ZINC001268398153 1080423188 /nfs/dbraw/zinc/42/31/88/1080423188.db2.gz HBRWJRDBKYSRGD-KBPBESRZSA-N 0 3 302.422 2.378 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001661003647 1080426149 /nfs/dbraw/zinc/42/61/49/1080426149.db2.gz AGMJKIYQIQNLLA-GFCCVEGCSA-N 0 3 316.430 2.462 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ocnc1C(F)F ZINC001268406802 1080435124 /nfs/dbraw/zinc/43/51/24/1080435124.db2.gz ZMVWCIMHTYGYBI-QMMMGPOBSA-N 0 3 307.728 2.463 20 30 DEEDHN Cc1ocnc1C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001661114263 1080443719 /nfs/dbraw/zinc/44/37/19/1080443719.db2.gz ZUIYLHRJPJSVIC-KRWDZBQOSA-N 0 3 323.396 2.133 20 30 DEEDHN CC[C@H](F)CN(C)C[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001661202042 1080454768 /nfs/dbraw/zinc/45/47/68/1080454768.db2.gz LSMUKYCOFQFOIN-KBPBESRZSA-N 0 3 315.458 2.162 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H](C)SC ZINC001268437421 1080467171 /nfs/dbraw/zinc/46/71/71/1080467171.db2.gz SWRBRFOSIZVCSR-LBPRGKRZSA-N 0 3 323.437 2.387 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1(CCF)CC1 ZINC001661631750 1080501868 /nfs/dbraw/zinc/50/18/68/1080501868.db2.gz SRGCCIBXYQWAIN-CALCHBBNSA-N 0 3 314.404 2.415 20 30 DEEDHN COc1ccc(C(C)C)cc1CNCCNC(=O)[C@H](C)C#N ZINC001124903926 1080518952 /nfs/dbraw/zinc/51/89/52/1080518952.db2.gz UKZJGYKDUZHIND-CYBMUJFWSA-N 0 3 303.406 2.184 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1c(C)cc(F)cc1C ZINC001268470570 1080563170 /nfs/dbraw/zinc/56/31/70/1080563170.db2.gz XEEPXUNUXWZIBL-UHFFFAOYSA-N 0 3 320.408 2.144 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)OCC2CC2)cc1 ZINC001482029378 1080700308 /nfs/dbraw/zinc/70/03/08/1080700308.db2.gz JVEQYJBMOBGSQY-OAHLLOKOSA-N 0 3 314.429 2.231 20 30 DEEDHN Cc1cc(CN2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)on1 ZINC001107329530 1080732113 /nfs/dbraw/zinc/73/21/13/1080732113.db2.gz YJJFMJNUCPDRNM-SRCQZFHVSA-N 0 3 316.405 2.004 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@@H](C)C3CC3)CCC[C@@H]12 ZINC001107354210 1080737444 /nfs/dbraw/zinc/73/74/44/1080737444.db2.gz XPHQWCICIKSCSD-KVSKMBFKSA-N 0 3 318.461 2.043 20 30 DEEDHN CCC[C@@H]1CCC[C@@H]1C(=O)NC/C=C/CNCC#CCOC ZINC001268560209 1080759658 /nfs/dbraw/zinc/75/96/58/1080759658.db2.gz WTMKNHPMLSXPIN-FDRQBBGKSA-N 0 3 306.450 2.115 20 30 DEEDHN CCC[C@@H]1CCC[C@@H]1C(=O)NC/C=C\CNCC#CCOC ZINC001268560211 1080760013 /nfs/dbraw/zinc/76/00/13/1080760013.db2.gz WTMKNHPMLSXPIN-UIZHIOIMSA-N 0 3 306.450 2.115 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)Cn1c(C)cc2ccccc21 ZINC001268567147 1080766636 /nfs/dbraw/zinc/76/66/36/1080766636.db2.gz WSQHDEFFUISDQD-BQYQJAHWSA-N 0 3 309.413 2.235 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1CCc1cnn(C)c1 ZINC001663527975 1080768343 /nfs/dbraw/zinc/76/83/43/1080768343.db2.gz KBKVZGVKLFDXTB-INIZCTEOSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001482063891 1080770373 /nfs/dbraw/zinc/77/03/73/1080770373.db2.gz ZZWBPHKJKXWEIP-MRXNPFEDSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCN(C[C@@H](O)c2ccccc2F)C1 ZINC001663572267 1080779523 /nfs/dbraw/zinc/77/95/23/1080779523.db2.gz KCFURCRMESCEMT-WMLDXEAASA-N 0 3 320.408 2.263 20 30 DEEDHN CC[C@H](CC(C)C)C(=O)NC[C@H]1CCN(CC#CCOC)C1 ZINC001663628765 1080792001 /nfs/dbraw/zinc/79/20/01/1080792001.db2.gz HRPOCPLTIVKVKF-IAGOWNOFSA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2OC)C1 ZINC001663645287 1080798969 /nfs/dbraw/zinc/79/89/69/1080798969.db2.gz SCKPIFWEJQXTLT-HNNXBMFYSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)C1(COC)CCCCC1 ZINC001663663409 1080799796 /nfs/dbraw/zinc/79/97/96/1080799796.db2.gz BPKOVBMQKZUEKL-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(-n2cccn2)cc1)C1CC1 ZINC001663727249 1080809292 /nfs/dbraw/zinc/80/92/92/1080809292.db2.gz KZPXOTMFCIRGHR-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCN(CCNC(=O)c1[nH]nc(C(F)(F)F)c1C)C1CC1 ZINC001663761088 1080813803 /nfs/dbraw/zinc/81/38/03/1080813803.db2.gz HESYTJXNISQBPE-UHFFFAOYSA-N 0 3 316.327 2.117 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)N(C)CCOC(C)C)cc1 ZINC001329500292 1148902915 /nfs/dbraw/zinc/90/29/15/1148902915.db2.gz GTENONZMEZLMKF-HNNXBMFYSA-N 0 3 302.418 2.143 20 30 DEEDHN CC#CCNCCN(C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC001664253214 1080883337 /nfs/dbraw/zinc/88/33/37/1080883337.db2.gz RDLFGVHUZIMLOS-UHFFFAOYSA-N 0 3 307.463 2.054 20 30 DEEDHN C#Cc1ccc(C(=O)NC/C=C\CNCc2ccc(F)cc2)cn1 ZINC001268616336 1080891621 /nfs/dbraw/zinc/89/16/21/1080891621.db2.gz HTWRWDJGDKYVDB-ARJAWSKDSA-N 0 3 323.371 2.278 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CNCC(=O)NC1CCC(C)CC1 ZINC001268647025 1080913359 /nfs/dbraw/zinc/91/33/59/1080913359.db2.gz QFUIYXYKGVUJHJ-HWOWSKLDSA-N 0 3 323.481 2.132 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)Cc1cccs1 ZINC001268677192 1080928768 /nfs/dbraw/zinc/92/87/68/1080928768.db2.gz RXHBZWWCYCWZIF-HNNXBMFYSA-N 0 3 312.438 2.437 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CC1(C)C ZINC001268681431 1080931099 /nfs/dbraw/zinc/93/10/99/1080931099.db2.gz IEYWFRXUURRDES-BBRMVZONSA-N 0 3 302.393 2.318 20 30 DEEDHN CCCN(C(=O)CSCC#N)[C@H]1CCN(CC[C@H](C)F)C1 ZINC001664657498 1080937573 /nfs/dbraw/zinc/93/75/73/1080937573.db2.gz QXOQUIYZXKNMKT-KBPBESRZSA-N 0 3 315.458 2.304 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CCC)C(=O)c2[nH]ccc2C)C1 ZINC001664663360 1080939434 /nfs/dbraw/zinc/93/94/34/1080939434.db2.gz WLICSLXCRCKRCG-MRXNPFEDSA-N 0 3 319.449 2.452 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1ccc(C)c(Cl)c1 ZINC001268700624 1080940357 /nfs/dbraw/zinc/94/03/57/1080940357.db2.gz LZEHLKUQNPEPNC-ZDUSSCGKSA-N 0 3 308.809 2.006 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001268704496 1080941965 /nfs/dbraw/zinc/94/19/65/1080941965.db2.gz 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/nfs/dbraw/zinc/05/15/27/1081051527.db2.gz DTMWLIJEIVKBNF-UHFFFAOYSA-N 0 3 323.824 2.449 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1CC ZINC001268965808 1081062914 /nfs/dbraw/zinc/06/29/14/1081062914.db2.gz WTKUDYIHDCUVPO-IHRRRGAJSA-N 0 3 303.406 2.490 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCN(CCCOc2ccccc2)C1 ZINC001269023578 1081087922 /nfs/dbraw/zinc/08/79/22/1081087922.db2.gz WORKBCOOMILGMM-KRWDZBQOSA-N 0 3 312.413 2.059 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)NCC=C(Cl)Cl ZINC001665850524 1081090334 /nfs/dbraw/zinc/09/03/34/1081090334.db2.gz WRUWBWWKUNYYDU-UTUOFQBUSA-N 0 3 321.248 2.381 20 30 DEEDHN Cc1ncsc1CNC[C@@H](NC(=O)C#CC(C)(C)C)C1CC1 ZINC001269072089 1081105873 /nfs/dbraw/zinc/10/58/73/1081105873.db2.gz XVILJESVFQJSHB-CQSZACIVSA-N 0 3 319.474 2.485 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC001269121988 1081126401 /nfs/dbraw/zinc/12/64/01/1081126401.db2.gz NZKWFJWEZWCRDM-QGZVFWFLSA-N 0 3 313.445 2.247 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001269138690 1081135073 /nfs/dbraw/zinc/13/50/73/1081135073.db2.gz XNLFTSVJMXAZIC-LAQIPUCWSA-N 0 3 300.377 2.443 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ccnc(C)c2)cc1 ZINC001666345215 1081147180 /nfs/dbraw/zinc/14/71/80/1081147180.db2.gz XFSWGNXHSLXJGV-UHFFFAOYSA-N 0 3 307.397 2.433 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2cnc(C)cn2)CCC1 ZINC001666617091 1081167580 /nfs/dbraw/zinc/16/75/80/1081167580.db2.gz XJTWXDOJTPIWRB-CQSZACIVSA-N 0 3 316.449 2.373 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001269266914 1081190400 /nfs/dbraw/zinc/19/04/00/1081190400.db2.gz MHCQGNGEJPBIHN-GFCCVEGCSA-N 0 3 315.373 2.304 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2nccs2)[C@H](C)C1 ZINC001667169969 1081219554 /nfs/dbraw/zinc/21/95/54/1081219554.db2.gz PONLDYNNMHOBDR-ZIAGYGMSSA-N 0 3 305.447 2.129 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2ccco2)C1 ZINC001269348926 1081223404 /nfs/dbraw/zinc/22/34/04/1081223404.db2.gz 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C=CC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)N[C@@H](C)CCC ZINC001270113684 1081454042 /nfs/dbraw/zinc/45/40/42/1081454042.db2.gz UBJIRRGRIFHULI-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN[C@H]1CCCN(CC(C)(C)C)C1=O ZINC001669520391 1081455290 /nfs/dbraw/zinc/45/52/90/1081455290.db2.gz GPJGVBSCEJZVEL-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)n1cc(C(=O)N[C@@H](C)CNCC#Cc2ccccc2)cn1 ZINC001669711684 1081463733 /nfs/dbraw/zinc/46/37/33/1081463733.db2.gz RLQSNIDFNXKZLX-INIZCTEOSA-N 0 3 324.428 2.224 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1c[nH]nc1C1CC1 ZINC001669702765 1081464065 /nfs/dbraw/zinc/46/40/65/1081464065.db2.gz HBEKYLKYEIKRFV-AWEZNQCLSA-N 0 3 322.412 2.047 20 30 DEEDHN CO[C@@H](CN(C)C[C@H](C)NC(=O)C#CC1CC1)c1ccccc1 ZINC001669807028 1081470739 /nfs/dbraw/zinc/47/07/39/1081470739.db2.gz YRWIDGJKDFRFKQ-YJBOKZPZSA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001669857195 1081475387 /nfs/dbraw/zinc/47/53/87/1081475387.db2.gz SCYSHMXKKYFXGA-GDBMZVCRSA-N 0 3 302.418 2.402 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001669924498 1081479838 /nfs/dbraw/zinc/47/98/38/1081479838.db2.gz CYZLISIDGRXVAF-LLVKDONJSA-N 0 3 302.378 2.214 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N[C@H](C)CC ZINC001671350785 1081514114 /nfs/dbraw/zinc/51/41/14/1081514114.db2.gz CFISUNWNUIEFTO-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(C(=O)c1cccs1)C1CCN(CCOCC)CC1 ZINC001671450375 1081517361 /nfs/dbraw/zinc/51/73/61/1081517361.db2.gz GQTKBQJQAARJBE-UHFFFAOYSA-N 0 3 320.458 2.324 20 30 DEEDHN C#CCN(C(=O)c1cnc(C)[nH]1)C1CCN(C[C@@H](F)CC)CC1 ZINC001671464879 1081517856 /nfs/dbraw/zinc/51/78/56/1081517856.db2.gz BIWCHRYMPKZSAJ-AWEZNQCLSA-N 0 3 320.412 2.006 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)Cc2ccc(F)cc2)C1 ZINC001671689125 1081533770 /nfs/dbraw/zinc/53/37/70/1081533770.db2.gz NZZCBGWSSUZNPB-GOSISDBHSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)CNCc2snnc2C)CC1 ZINC001270506679 1081539771 /nfs/dbraw/zinc/53/97/71/1081539771.db2.gz KWJRKRBJJNVATD-LBPRGKRZSA-N 0 3 322.478 2.435 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccc3cnccc3n2)CC1 ZINC001671854448 1081543716 /nfs/dbraw/zinc/54/37/16/1081543716.db2.gz SRKNCBWSRUVBAJ-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN C=CCCC(=O)NCC1(NCc2cncc(C)c2)CCOCC1 ZINC001671925385 1081551019 /nfs/dbraw/zinc/55/10/19/1081551019.db2.gz CLIBLYPGQXITTM-UHFFFAOYSA-N 0 3 317.433 2.111 20 30 DEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C[C@H](C)COC)C2)CC1 ZINC001672170527 1081563858 /nfs/dbraw/zinc/56/38/58/1081563858.db2.gz IMTICIOEHKLURF-WMZOPIPTSA-N 0 3 320.477 2.243 20 30 DEEDHN CC#CCCCC(=O)N[C@@]1(C)CCN(CCOCC(C)C)C1 ZINC001270616070 1081564490 /nfs/dbraw/zinc/56/44/90/1081564490.db2.gz ROHXEJUYUWAGJC-SFHVURJKSA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]([C@@H](C)NCc2cc3n(n2)CCC3)C1 ZINC001672188498 1081564688 /nfs/dbraw/zinc/56/46/88/1081564688.db2.gz AHCUJVDTYGBUQF-CABCVRRESA-N 0 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DRQBCMYSQQVWKM-CQSZACIVSA-N 0 3 322.836 2.165 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2ccnn2C2CCC2)CC1 ZINC001270878795 1081788106 /nfs/dbraw/zinc/78/81/06/1081788106.db2.gz BPNBHGGOELAKRV-UHFFFAOYSA-N 0 3 314.433 2.073 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C2(COC)CCCCC2)CC1 ZINC001270885171 1081803570 /nfs/dbraw/zinc/80/35/70/1081803570.db2.gz CDBFLSABVFONTL-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NCc1cncc(F)c1 ZINC001673866550 1081805619 /nfs/dbraw/zinc/80/56/19/1081805619.db2.gz NJFXPGWDQUCDNY-CJNGLKHVSA-N 0 3 317.408 2.207 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(CC#CC)CC1(C)C ZINC001674023564 1081827399 /nfs/dbraw/zinc/82/73/99/1081827399.db2.gz PQWCYUWVNKHEBR-QFBILLFUSA-N 0 3 320.477 2.455 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001674039802 1081832040 /nfs/dbraw/zinc/83/20/40/1081832040.db2.gz WAOXOUBPSGPQRD-HOTGVXAUSA-N 0 3 307.482 2.216 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)Cc1ccoc1 ZINC001270948248 1081850461 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C#CCN(CCC)CCNC(=O)c1cc(-c2cccs2)on1 ZINC001266566611 1082163922 /nfs/dbraw/zinc/16/39/22/1082163922.db2.gz INOLHXWQZSOCAX-UHFFFAOYSA-N 0 3 317.414 2.478 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(CC1=CCCCC1)C1CC1 ZINC001266590981 1082179182 /nfs/dbraw/zinc/17/91/82/1082179182.db2.gz VJTQSOFXQYDQBQ-SFHVURJKSA-N 0 3 306.450 2.395 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccc(Cl)o2)C1 ZINC001271942882 1082203876 /nfs/dbraw/zinc/20/38/76/1082203876.db2.gz VOYSFWIAWBHXFL-HNNXBMFYSA-N 0 3 312.797 2.066 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2ccccc2CC)C1 ZINC001271981644 1082219320 /nfs/dbraw/zinc/21/93/20/1082219320.db2.gz GWKFRMKHTWNKFN-LJQANCHMSA-N 0 3 316.445 2.382 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)CC(C)C)cc1C#N ZINC001493463304 1082234051 /nfs/dbraw/zinc/23/40/51/1082234051.db2.gz ODYMERGAXGYRRG-UHFFFAOYSA-N 0 3 303.406 2.161 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001266683334 1082281412 /nfs/dbraw/zinc/28/14/12/1082281412.db2.gz LYTFRSWLXQCFAG-GASCZTMLSA-N 0 3 320.820 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C#CCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1N(C)C ZINC001483331531 1083109761 /nfs/dbraw/zinc/10/97/61/1083109761.db2.gz QMVKIVBYCQAQSC-MRXNPFEDSA-N 0 3 315.461 2.493 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001276440486 1083435257 /nfs/dbraw/zinc/43/52/57/1083435257.db2.gz XSCFDADEHXRWLO-NEPJUHHUSA-N 0 3 305.422 2.408 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)COc2cc(F)cc(F)c2)C1 ZINC001276468826 1083456218 /nfs/dbraw/zinc/45/62/18/1083456218.db2.gz NHAPANCVWHXGHL-GFCCVEGCSA-N 0 3 324.371 2.356 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2ccsc2)C(C)(C)C1 ZINC001276556355 1083489974 /nfs/dbraw/zinc/48/99/74/1083489974.db2.gz YOQRCWPVLNLZCS-OAHLLOKOSA-N 0 3 322.474 2.320 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCOCC(F)F)C(C)(C)C1 ZINC001276586939 1083502221 /nfs/dbraw/zinc/50/22/21/1083502221.db2.gz RYIXMZLJOAKMBQ-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@](C)(C=C)CCOC)C(C)(C)C1 ZINC001276594116 1083506111 /nfs/dbraw/zinc/50/61/11/1083506111.db2.gz 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C#CCN1CC[C@]2(CCN(Cc3nc(Cl)ccc3C)C2)C1=O ZINC001273156658 1087057069 /nfs/dbraw/zinc/05/70/69/1087057069.db2.gz CFLFLHFFFVLJLC-KRWDZBQOSA-N 0 3 317.820 2.101 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001487379921 1087216369 /nfs/dbraw/zinc/21/63/69/1087216369.db2.gz QSSUEMMQBWJNCP-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001079149607 1087726289 /nfs/dbraw/zinc/72/62/89/1087726289.db2.gz BHHAPAICNMMWJF-VBNZEHGJSA-N 0 3 321.371 2.229 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)sc1C ZINC001114526602 1088336102 /nfs/dbraw/zinc/33/61/02/1088336102.db2.gz DZSFWBKZCAMIMQ-ZSHCYNCHSA-N 0 3 320.458 2.228 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cc3cscc3s2)C1 ZINC000958267314 1088893484 /nfs/dbraw/zinc/89/34/84/1088893484.db2.gz MAUXDFRPPHNCSC-RYUDHWBXSA-N 0 3 322.455 2.171 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC000958281319 1088902726 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C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC000958735322 1089156353 /nfs/dbraw/zinc/15/63/53/1089156353.db2.gz BAHFIWRPUYJMPA-ZWKOTPCHSA-N 0 3 314.429 2.163 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001080762989 1089175715 /nfs/dbraw/zinc/17/57/15/1089175715.db2.gz XRFAHVDEVBZVIL-CHWSQXEVSA-N 0 3 305.447 2.340 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC001080811676 1089197072 /nfs/dbraw/zinc/19/70/72/1089197072.db2.gz RKDISFFFHLJTIM-UKRRQHHQSA-N 0 3 312.417 2.200 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CN2CCc3ccccc32)C1 ZINC001080964767 1089270229 /nfs/dbraw/zinc/27/02/29/1089270229.db2.gz CDHCGWWANJCOPC-NVXWUHKLSA-N 0 3 313.445 2.062 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1c1ccccc1 ZINC001081165411 1089364293 /nfs/dbraw/zinc/36/42/93/1089364293.db2.gz BQTXQQBBVNZMRL-BBWFWOEESA-N 0 3 302.393 2.198 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001081608731 1089437559 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/nfs/dbraw/zinc/45/42/88/1091454288.db2.gz RVBXDOVIZQXEMI-UHFFFAOYSA-N 0 3 319.493 2.126 20 30 DEEDHN CN1CCO[C@]2(CCCN(CCCc3cccc(C#N)c3)C2)C1 ZINC001274891192 1091464753 /nfs/dbraw/zinc/46/47/53/1091464753.db2.gz XJLYHOHZBBCEDN-LJQANCHMSA-N 0 3 313.445 2.287 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001494820093 1091490718 /nfs/dbraw/zinc/49/07/18/1091490718.db2.gz RQFXVPHIWAMJBX-IRXDYDNUSA-N 0 3 308.466 2.384 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)C=C(C)C)C1 ZINC001275198109 1091610388 /nfs/dbraw/zinc/61/03/88/1091610388.db2.gz FSHZXZLVRPFTGJ-UHFFFAOYSA-N 0 3 301.228 2.346 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1snnc1C ZINC001276168446 1091628648 /nfs/dbraw/zinc/62/86/48/1091628648.db2.gz MZXAIDUVJRVWCD-UHFFFAOYSA-N 0 3 310.467 2.387 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1(CF)CCC1 ZINC001275309979 1091663770 /nfs/dbraw/zinc/66/37/70/1091663770.db2.gz UHNZIQKTYWAEKL-AWEZNQCLSA-N 0 3 320.383 2.411 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)C[C@@H](C)c1ccccc1C 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322.412 2.190 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@H]1CNC(=O)c1cnn(C)c1 ZINC000948890231 1091983700 /nfs/dbraw/zinc/98/37/00/1091983700.db2.gz OVKXXYXALBDIHZ-GOSISDBHSA-N 0 3 324.428 2.325 20 30 DEEDHN C#CCN1CC[C@]2(CCCN2C[C@H](C)CC(F)(F)F)C1=O ZINC001273746376 1092026727 /nfs/dbraw/zinc/02/67/27/1092026727.db2.gz FXRMIPZCMFMJDX-TZMCWYRMSA-N 0 3 302.340 2.275 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1ccccc1C)CCO2 ZINC000949012011 1092028857 /nfs/dbraw/zinc/02/88/57/1092028857.db2.gz VQDJFSBTHIINGB-UHFFFAOYSA-N 0 3 314.429 2.488 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C(C)=C1CCC1)CCO2 ZINC000949092384 1092046899 /nfs/dbraw/zinc/04/68/99/1092046899.db2.gz XJNVZRAFIAUTMU-UHFFFAOYSA-N 0 3 316.445 2.204 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CC3(CCC3)C1)CCO2 ZINC000949161897 1092060027 /nfs/dbraw/zinc/06/00/27/1092060027.db2.gz GKCKXRQUBXNSBF-UHFFFAOYSA-N 0 3 318.461 2.446 20 30 DEEDHN COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC001411749988 1092070735 /nfs/dbraw/zinc/07/07/35/1092070735.db2.gz BFBLZIQRLDKVGX-ZFWWWQNUSA-N 0 3 302.374 2.026 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C)C1)CCO2 ZINC000949205639 1092070754 /nfs/dbraw/zinc/07/07/54/1092070754.db2.gz ZJSYHKOBXLFGQT-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC13CCCC3)CCO2 ZINC000949223074 1092075488 /nfs/dbraw/zinc/07/54/88/1092075488.db2.gz CKPMWDJVIPEOAZ-INIZCTEOSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC000949329263 1092110187 /nfs/dbraw/zinc/11/01/87/1092110187.db2.gz PTZPJAUZDBDCGG-SREVYHEPSA-N 0 3 304.434 2.222 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)Cc3ccoc3)CC2)C1 ZINC000949346616 1092118372 /nfs/dbraw/zinc/11/83/72/1092118372.db2.gz OHXMCKGEWXXGEZ-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1 ZINC001275828616 1092190742 /nfs/dbraw/zinc/19/07/42/1092190742.db2.gz CTQCMUIVKIZTGG-ROUUACIJSA-N 0 3 307.401 2.130 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1CC ZINC001275828089 1092192761 /nfs/dbraw/zinc/19/27/61/1092192761.db2.gz SFAMXRBGBNJMAL-HOTGVXAUSA-N 0 3 316.445 2.224 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CNC(=O)CC1CCCCC1 ZINC001297379063 1092504952 /nfs/dbraw/zinc/50/49/52/1092504952.db2.gz MTWKAGVGGPRQBW-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001488639787 1092651570 /nfs/dbraw/zinc/65/15/70/1092651570.db2.gz ARAUIHDPGRITEJ-QGZVFWFLSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001488676889 1092679311 /nfs/dbraw/zinc/67/93/11/1092679311.db2.gz OUBGOARNYQUHDF-CABCVRRESA-N 0 3 317.433 2.184 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ncccc2F)C1 ZINC001488764355 1092738290 /nfs/dbraw/zinc/73/82/90/1092738290.db2.gz SCQBUAHXAFDCLJ-TXEJJXNPSA-N 0 3 311.788 2.000 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)OCC(C)C)C2)CC1 ZINC001488974673 1092858497 /nfs/dbraw/zinc/85/84/97/1092858497.db2.gz SQJZUVPXFITFRA-IRXDYDNUSA-N 0 3 320.477 2.384 20 30 DEEDHN C#CCOCCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=C)Cl ZINC001490295150 1093280773 /nfs/dbraw/zinc/28/07/73/1093280773.db2.gz IUSHENABYJWTOK-GJZGRUSLSA-N 0 3 312.841 2.138 20 30 DEEDHN C=C/C(C)=C\CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001490600891 1093424928 /nfs/dbraw/zinc/42/49/28/1093424928.db2.gz NEIOOIQYZYRHCP-UGIZUQJLSA-N 0 3 316.445 2.129 20 30 DEEDHN C=C[C@@](C)(O)CNC(=N)c1ccc(Br)cc1F ZINC001252579048 1093589410 /nfs/dbraw/zinc/58/94/10/1093589410.db2.gz SUMIWICYPBNRBQ-GFCCVEGCSA-N 0 3 301.159 2.440 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC001649167386 1093732596 /nfs/dbraw/zinc/73/25/96/1093732596.db2.gz IFUUMXZZKJGHPI-KBPBESRZSA-N 0 3 322.368 2.188 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C#N)cc1C ZINC001274030542 1093774398 /nfs/dbraw/zinc/77/43/98/1093774398.db2.gz QJOODCKOPGGEAK-FQEVSTJZSA-N 0 3 321.424 2.457 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC=CC2)C[C@@H]1NCC#Cc1ccccc1 ZINC001274180683 1093838809 /nfs/dbraw/zinc/83/88/09/1093838809.db2.gz RAAIYSLQTUXSSK-LPHOPBHVSA-N 0 3 308.425 2.441 20 30 DEEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001274189016 1093841120 /nfs/dbraw/zinc/84/11/20/1093841120.db2.gz NYNZGJDDFICUPL-PKOBYXMFSA-N 0 3 308.425 2.278 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@H](C)[C@H](NCCF)C2)cc1 ZINC001274200339 1093847658 /nfs/dbraw/zinc/84/76/58/1093847658.db2.gz YPZMTEOYVLBTCT-WMLDXEAASA-N 0 3 318.392 2.108 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)Cc2c(C)oc3ccccc32)C1 ZINC001480123434 1151694678 /nfs/dbraw/zinc/69/46/78/1151694678.db2.gz JKOQXOXMDZDAOG-HNNXBMFYSA-N 0 3 310.397 2.498 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001691858019 1138208098 /nfs/dbraw/zinc/20/80/98/1138208098.db2.gz ZFMINJJGBDHQTN-KURKYZTESA-N 0 3 318.461 2.138 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001691736829 1138254315 /nfs/dbraw/zinc/25/43/15/1138254315.db2.gz GQQWYNVBFOGLHY-MELADBBJSA-N 0 3 322.478 2.433 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@]1(C)CCOc2ccccc21 ZINC001277988468 1138383833 /nfs/dbraw/zinc/38/38/33/1138383833.db2.gz PWWRXWOUTMURCA-HNAYVOBHSA-N 0 3 314.429 2.187 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cncn1CC)CC2 ZINC001237587450 1138696296 /nfs/dbraw/zinc/69/62/96/1138696296.db2.gz BLKUBIZTARFPHR-GOSISDBHSA-N 0 3 316.449 2.436 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cncn1CC)C2 ZINC001237589939 1138701638 /nfs/dbraw/zinc/70/16/38/1138701638.db2.gz UUCSSIZDCKMIOG-QZTJIDSGSA-N 0 3 319.449 2.477 20 30 DEEDHN C#CCN(C(=O)CC[C@@H](C)OC)C1CCN(CC(=C)C)CC1 ZINC001278144010 1138785160 /nfs/dbraw/zinc/78/51/60/1138785160.db2.gz CUZSUMFNRDQJPB-MRXNPFEDSA-N 0 3 306.450 2.304 20 30 DEEDHN C#CCN(C(=O)Cc1ccoc1)C1CCN(CC(=C)C)CC1 ZINC001278144776 1138786516 /nfs/dbraw/zinc/78/65/16/1138786516.db2.gz QHYGBESWEQQLMP-UHFFFAOYSA-N 0 3 300.402 2.324 20 30 DEEDHN C#CCN(C(=O)C[C@H](C)COC)C1CCN(CC(=C)C)CC1 ZINC001278194375 1138826165 /nfs/dbraw/zinc/82/61/65/1138826165.db2.gz LRZUCCQKNZRWEF-INIZCTEOSA-N 0 3 306.450 2.161 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](NCc2cncn2C)[C@@H]1C ZINC001278264711 1138864784 /nfs/dbraw/zinc/86/47/84/1138864784.db2.gz SRPYCBCEPNTRHH-WMLDXEAASA-N 0 3 316.449 2.268 20 30 DEEDHN Cc1c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cnn1C ZINC001240380407 1139352379 /nfs/dbraw/zinc/35/23/79/1139352379.db2.gz LFDOAUSJJQGDTI-NSHDSACASA-N 0 3 313.361 2.134 20 30 DEEDHN Cc1c(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cnn1C ZINC001240380406 1139353424 /nfs/dbraw/zinc/35/34/24/1139353424.db2.gz LFDOAUSJJQGDTI-LLVKDONJSA-N 0 3 313.361 2.134 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)NC(=O)C(C)(C)N(C)CC)CC1 ZINC001295639455 1139483060 /nfs/dbraw/zinc/48/30/60/1139483060.db2.gz ZFYFYEOWYJWVLM-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](OCC)C(C)C)C2 ZINC001278334696 1139845932 /nfs/dbraw/zinc/84/59/32/1139845932.db2.gz DRDKEBXTHZKLDZ-IEBWSBKVSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCC[C@@]2(CCN(CC#CC)C2)C1 ZINC001278335668 1139850023 /nfs/dbraw/zinc/85/00/23/1139850023.db2.gz LFWUNAFWVZKRGX-MOPGFXCFSA-N 0 3 318.461 2.041 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1cnn(C2CCCC2)c1C ZINC001491634681 1140225235 /nfs/dbraw/zinc/22/52/35/1140225235.db2.gz IILCMBZIOBBOKL-CYBMUJFWSA-N 0 3 302.422 2.038 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001318424314 1140324952 /nfs/dbraw/zinc/32/49/52/1140324952.db2.gz IVXDCQLFDBKFGW-AEFFLSMTSA-N 0 3 318.465 2.098 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCOC2CCOCC2)C1 ZINC001318443398 1140330755 /nfs/dbraw/zinc/33/07/55/1140330755.db2.gz XDEJECRCCDSEGB-MRXNPFEDSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)CCOc2cccc(OC)c2)C1 ZINC001318446401 1140333065 /nfs/dbraw/zinc/33/30/65/1140333065.db2.gz VIQLCSZYITYOLX-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ccnc(C)c2)C1 ZINC001318486403 1140348394 /nfs/dbraw/zinc/34/83/94/1140348394.db2.gz YLTJLNGIZOPPSF-KRWDZBQOSA-N 0 3 317.433 2.129 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCNC(=O)CC(C)C)C1 ZINC001318492160 1140349651 /nfs/dbraw/zinc/34/96/51/1140349651.db2.gz NZMLTZJCZZOHLR-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)[C@@H](C)COC)cc1 ZINC001318996862 1140488181 /nfs/dbraw/zinc/48/81/81/1140488181.db2.gz WWBFYMNQYNBHNE-JKSUJKDBSA-N 0 3 316.445 2.334 20 30 DEEDHN CC#CCN1CC[C@](C)(NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001278395775 1140522098 /nfs/dbraw/zinc/52/20/98/1140522098.db2.gz KSPMTXUIAQPKMC-QAPCUYQASA-N 0 3 316.449 2.001 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001319466738 1140588500 /nfs/dbraw/zinc/58/85/00/1140588500.db2.gz OIVMUYLZZVDDMO-CYBMUJFWSA-N 0 3 307.442 2.221 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(OCC)n2)C1 ZINC001278408748 1140712992 /nfs/dbraw/zinc/71/29/92/1140712992.db2.gz BBZOYIPWVMRGSV-GOSISDBHSA-N 0 3 317.433 2.180 20 30 DEEDHN COCC#CCN[C@@H]1C[C@H](C)N(C(=O)CCCCC(C)C)C1 ZINC001278409411 1140734722 /nfs/dbraw/zinc/73/47/22/1140734722.db2.gz KFSSUJOUGSIOHL-DLBZAZTESA-N 0 3 308.466 2.432 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](NCc2ccnn2C)C(C)C)C1 ZINC001319943856 1140805629 /nfs/dbraw/zinc/80/56/29/1140805629.db2.gz MDGKZUQINMUEIE-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)Cc1noc2ccc(F)cc21 ZINC001320062537 1140817839 /nfs/dbraw/zinc/81/78/39/1140817839.db2.gz XXCKGALXSBXYOO-UHFFFAOYSA-N 0 3 305.353 2.086 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2cccc(Cl)c2)C1 ZINC001278417095 1140818994 /nfs/dbraw/zinc/81/89/94/1140818994.db2.gz SKLJYCYIPHZRFI-UKRRQHHQSA-N 0 3 320.820 2.321 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001320592093 1140883682 /nfs/dbraw/zinc/88/36/82/1140883682.db2.gz MVCOCKFVINTZCQ-SJORKVTESA-N 0 3 317.433 2.151 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001278450646 1140921538 /nfs/dbraw/zinc/92/15/38/1140921538.db2.gz RQIOUVDFNSQXIV-GOSISDBHSA-N 0 3 312.417 2.262 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc2c1O[C@@H](C)C2 ZINC001320799553 1140928654 /nfs/dbraw/zinc/92/86/54/1140928654.db2.gz PFIICPDOFQVKOR-AWEZNQCLSA-N 0 3 300.402 2.085 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H](C)C(F)(F)F)CCC[C@@H]12 ZINC001278459786 1141022927 /nfs/dbraw/zinc/02/29/27/1141022927.db2.gz OGOQAHUPQUAOBJ-OUCADQQQSA-N 0 3 302.340 2.321 20 30 DEEDHN C=CCCC(=O)N1CC[C@](C)(CNCc2ccn(CC)n2)C1 ZINC001278469925 1141081677 /nfs/dbraw/zinc/08/16/77/1141081677.db2.gz OLSGNRXJSSXXJL-QGZVFWFLSA-N 0 3 304.438 2.197 20 30 DEEDHN C=CCN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)OCC)NC1 ZINC001246839895 1141084133 /nfs/dbraw/zinc/08/41/33/1141084133.db2.gz KIYVGTHTKKCHSR-SJORKVTESA-N 0 3 302.418 2.358 20 30 DEEDHN Cc1ccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)nc1C ZINC001321590304 1141313311 /nfs/dbraw/zinc/31/33/11/1141313311.db2.gz XWVJGPVPZQGKQR-MRXNPFEDSA-N 0 3 321.424 2.458 20 30 DEEDHN C=CCOCC(=O)N[C@@H](C)CNCc1ccc(F)c(Cl)c1 ZINC001321800394 1141345518 /nfs/dbraw/zinc/34/55/18/1141345518.db2.gz FBISBJJBOATSOE-NSHDSACASA-N 0 3 314.788 2.276 20 30 DEEDHN Cc1coc(C(=O)N[C@@H](C)CNCC#Cc2ccc(F)cc2)c1 ZINC001321956331 1141371645 /nfs/dbraw/zinc/37/16/45/1141371645.db2.gz MZXPSHHXGTULCA-AWEZNQCLSA-N 0 3 314.360 2.487 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001322195802 1141446987 /nfs/dbraw/zinc/44/69/87/1141446987.db2.gz JVWYMRBYHBVLEK-IAQYHMDHSA-N 0 3 308.809 2.266 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)CCc2ccoc2)[C@H]1C ZINC001278504344 1141774427 /nfs/dbraw/zinc/77/44/27/1141774427.db2.gz DCXJMMXWIWUIOZ-WBVHZDCISA-N 0 3 320.433 2.384 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001323248852 1141832449 /nfs/dbraw/zinc/83/24/49/1141832449.db2.gz YFSXPBUBEKFOGL-CQSZACIVSA-N 0 3 302.422 2.068 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001323311238 1141841024 /nfs/dbraw/zinc/84/10/24/1141841024.db2.gz UZKMAEUQDPSMKE-HOCLYGCPSA-N 0 3 304.438 2.452 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)OC ZINC001323358503 1141845790 /nfs/dbraw/zinc/84/57/90/1141845790.db2.gz VBXXRNJNULYVDE-MSOLQXFVSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCC1(C(=O)NCC2(NC[C@H](F)CC)CC2)CCOCC1 ZINC001323603188 1141868951 /nfs/dbraw/zinc/86/89/51/1141868951.db2.gz URBBOEZUWYJYAI-CQSZACIVSA-N 0 3 312.429 2.346 20 30 DEEDHN COCC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001323638709 1141872331 /nfs/dbraw/zinc/87/23/31/1141872331.db2.gz UQSYWDYFCKMEEU-JKSUJKDBSA-N 0 3 324.440 2.087 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCOCC)C1 ZINC001323639119 1141872683 /nfs/dbraw/zinc/87/26/83/1141872683.db2.gz XGQQGLVGKXEZKM-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@](C)(C=C)CCOC)C2)C1 ZINC001323812787 1141888886 /nfs/dbraw/zinc/88/88/86/1141888886.db2.gz LKPRRAIUFDXFBF-RTBURBONSA-N 0 3 318.461 2.163 20 30 DEEDHN Cc1c(C)n(C2=CC[C@@H](N3CCOCC3)CC2)c(N)c1C#N ZINC001249555056 1141899929 /nfs/dbraw/zinc/89/99/29/1141899929.db2.gz WXRAITBFTOXUMU-CQSZACIVSA-N 0 3 300.406 2.284 20 30 DEEDHN Cc1c(C)n(C2=CC[C@H](N3CCOCC3)CC2)c(N)c1C#N ZINC001249555048 1141900002 /nfs/dbraw/zinc/90/00/02/1141900002.db2.gz WXRAITBFTOXUMU-AWEZNQCLSA-N 0 3 300.406 2.284 20 30 DEEDHN C#CCN(CC1CC1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001324008166 1141952834 /nfs/dbraw/zinc/95/28/34/1141952834.db2.gz IQYBHPRFXRROIT-SFHVURJKSA-N 0 3 313.445 2.214 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001324213632 1142031852 /nfs/dbraw/zinc/03/18/52/1142031852.db2.gz PIFXXDWJMCQPET-GOEBONIOSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCC[C@@H]1C)C1CCN(CCOC)CC1 ZINC001324397894 1142070658 /nfs/dbraw/zinc/07/06/58/1142070658.db2.gz VNRAJDIFWRLCRF-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cncc(CC)c2)C1 ZINC001324632194 1142164475 /nfs/dbraw/zinc/16/44/75/1142164475.db2.gz DEQYTPOJJKBAMQ-SFHVURJKSA-N 0 3 317.433 2.041 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)/C=C\C(C)(C)C)CC1 ZINC001278598032 1142311115 /nfs/dbraw/zinc/31/11/15/1142311115.db2.gz HMXFPXYQXJDONP-HJWRWDBZSA-N 0 3 320.477 2.457 20 30 DEEDHN N#C[C@H]1CCCN(C[C@@H](O)COc2ccc(F)cc2F)CC1 ZINC001250856213 1142336636 /nfs/dbraw/zinc/33/66/36/1142336636.db2.gz DWGSADKBMWTOQG-GXTWGEPZSA-N 0 3 310.344 2.330 20 30 DEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1ccc(F)cc1F ZINC001250857277 1142336699 /nfs/dbraw/zinc/33/66/99/1142336699.db2.gz QFGXEARLOBFRKO-MHEUCROKSA-N 0 3 322.355 2.471 20 30 DEEDHN CCCCCCCC[C@H](O)CNC1CN(c2ccncn2)C1 ZINC001252140127 1142654253 /nfs/dbraw/zinc/65/42/53/1142654253.db2.gz ZIKKFENYWZNGDN-INIZCTEOSA-N 0 3 306.454 2.366 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cccc(C(F)(F)F)c1F ZINC001252483368 1142731074 /nfs/dbraw/zinc/73/10/74/1142731074.db2.gz UCEMHVQXHXDTGZ-LLVKDONJSA-N 0 3 307.287 2.498 20 30 DEEDHN C=CCC[C@H](O)CN1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001252604515 1142786419 /nfs/dbraw/zinc/78/64/19/1142786419.db2.gz SMVKOPKVJRIYQC-SJORKVTESA-N 0 3 314.429 2.434 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001338551355 1142863062 /nfs/dbraw/zinc/86/30/62/1142863062.db2.gz MJLBUQFTTAQFJT-AWEZNQCLSA-N 0 3 304.365 2.157 20 30 DEEDHN C=C[C@H](O)CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001253577575 1142882067 /nfs/dbraw/zinc/88/20/67/1142882067.db2.gz WXTNVYWBOMZVSS-DDHJSBNISA-N 0 3 306.431 2.329 20 30 DEEDHN C=C[C@H](O)CNC[C@@]1(F)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253598939 1142883364 /nfs/dbraw/zinc/88/33/64/1142883364.db2.gz BRKRSWNKWMGQCT-BBRMVZONSA-N 0 3 316.417 2.252 20 30 DEEDHN Cc1ccc(OC[C@@H](O)CNCc2csc(C#N)c2)cc1 ZINC001253847506 1142987206 /nfs/dbraw/zinc/98/72/06/1142987206.db2.gz OSYCMCODPAHQIZ-AWEZNQCLSA-N 0 3 302.399 2.458 20 30 DEEDHN Cc1ccc(OC[C@H](O)CNCc2cc(C#N)cs2)cc1 ZINC001253851304 1142990170 /nfs/dbraw/zinc/99/01/70/1142990170.db2.gz QCSPCCFFZCHRFP-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN N#CC1(c2ccc(F)cc2)CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001254353244 1143087019 /nfs/dbraw/zinc/08/70/19/1143087019.db2.gz XGVHNSVWUZKCNX-PQUAAJSLSA-N 0 3 315.392 2.479 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2[C@H]1CCCN2C(=O)CN(C)CCC ZINC001421631213 1171875962 /nfs/dbraw/zinc/87/59/62/1171875962.db2.gz GQJFQLNXXIWUSR-CABCVRRESA-N 0 3 313.873 2.146 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC001340001209 1143227770 /nfs/dbraw/zinc/22/77/70/1143227770.db2.gz BYWXDZFEOFFFDR-UONOGXRCSA-N 0 3 323.824 2.056 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)N(CC)C(=O)CN1CCC(C)CC1 ZINC001340044573 1143245240 /nfs/dbraw/zinc/24/52/40/1143245240.db2.gz LXCZWBPIHAMZJU-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001278794442 1143255517 /nfs/dbraw/zinc/25/55/17/1143255517.db2.gz AXMKPDUYQDYCMM-SFHVURJKSA-N 0 3 320.408 2.185 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC001340079683 1143258373 /nfs/dbraw/zinc/25/83/73/1143258373.db2.gz LKQUKBOIUOVVKA-SJORKVTESA-N 0 3 320.433 2.307 20 30 DEEDHN N#C[C@H]1CC[C@H](N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC001254673976 1143308674 /nfs/dbraw/zinc/30/86/74/1143308674.db2.gz RXUNXGRQKFLOQU-ZFWWWQNUSA-N 0 3 323.400 2.121 20 30 DEEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@H]1CCSC1 ZINC001340331068 1143325297 /nfs/dbraw/zinc/32/52/97/1143325297.db2.gz IBYSIAGYSLGENH-KBPBESRZSA-N 0 3 321.494 2.215 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2cccc3ccsc32)C1 ZINC001278816752 1143328538 /nfs/dbraw/zinc/32/85/38/1143328538.db2.gz WHFPRJQOXUKGJY-KRWDZBQOSA-N 0 3 316.426 2.254 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OCC)c(OC)c1 ZINC001340553492 1143370506 /nfs/dbraw/zinc/37/05/06/1143370506.db2.gz NYVGKLDXWBSFKJ-CQSZACIVSA-N 0 3 306.406 2.394 20 30 DEEDHN C=CCn1c(C2CCN(C)CC2)nnc1N1CCC[C@@H](C#N)C1 ZINC001340600845 1143379004 /nfs/dbraw/zinc/37/90/04/1143379004.db2.gz QTUYBCZXKCYYJT-AWEZNQCLSA-N 0 3 314.437 2.013 20 30 DEEDHN CC[C@@H](CC#N)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001255167629 1143461033 /nfs/dbraw/zinc/46/10/33/1143461033.db2.gz DOCRMWRLQPRGNC-HNNXBMFYSA-N 0 3 301.438 2.029 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1csc2ccccc12 ZINC001278869361 1143715269 /nfs/dbraw/zinc/71/52/69/1143715269.db2.gz RMTMDRPQLXYVGJ-CYBMUJFWSA-N 0 3 318.442 2.452 20 30 DEEDHN C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H](N)CCCCC#N ZINC001341942113 1143746832 /nfs/dbraw/zinc/74/68/32/1143746832.db2.gz FIHLGFNEBFFINA-CZUORRHYSA-N 0 3 303.406 2.241 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1cc(OC)cc(OC)c1 ZINC001342002083 1143767157 /nfs/dbraw/zinc/76/71/57/1143767157.db2.gz CCKBOMXZNVXKOV-INIZCTEOSA-N 0 3 306.406 2.046 20 30 DEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC001342036777 1143774821 /nfs/dbraw/zinc/77/48/21/1143774821.db2.gz SDLQKBVEYAPFMK-UZMCECQYSA-N 0 3 300.358 2.313 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC3SC(=O)C=C3C2)C1 ZINC001255601144 1143778976 /nfs/dbraw/zinc/77/89/76/1143778976.db2.gz UHGRWCQSMOETJJ-STQMWFEESA-N 0 3 324.446 2.270 20 30 DEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCCOC ZINC001342260183 1143806898 /nfs/dbraw/zinc/80/68/98/1143806898.db2.gz VBAANQGYVZAXIG-OAHLLOKOSA-N 0 3 321.469 2.136 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001342261534 1143807261 /nfs/dbraw/zinc/80/72/61/1143807261.db2.gz HGRASNKEPMHOIB-BYNSBNAKSA-N 0 3 314.437 2.010 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1noc2c1CC(C)(C)CC2 ZINC001342423326 1143816938 /nfs/dbraw/zinc/81/69/38/1143816938.db2.gz WUOAWZFAANEPAS-ZDUSSCGKSA-N 0 3 305.422 2.489 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1nc2ccccc2n1CC1CC1 ZINC001342516593 1143821501 /nfs/dbraw/zinc/82/15/01/1143821501.db2.gz BWUVRUSRPHHWNQ-ZDUSSCGKSA-N 0 3 311.389 2.406 20 30 DEEDHN C[C@H](OC1CCCCC1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC001342565704 1143824000 /nfs/dbraw/zinc/82/40/00/1143824000.db2.gz IEFBCTGNFBCZHL-JSGCOSHPSA-N 0 3 315.373 2.467 20 30 DEEDHN C=C[C@H](COC)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001342731158 1143833073 /nfs/dbraw/zinc/83/30/73/1143833073.db2.gz DTONCOBICFBLLQ-KBAYOESNSA-N 0 3 304.434 2.067 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@H](C)OC)c1ccccc1CC ZINC001278969265 1143870995 /nfs/dbraw/zinc/87/09/95/1143870995.db2.gz HJLMRCIGFRANRW-WMLDXEAASA-N 0 3 302.418 2.054 20 30 DEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C2CCC(C#N)CC2)C1 ZINC001256965431 1143877113 /nfs/dbraw/zinc/87/71/13/1143877113.db2.gz UCDFNLSWLUKSMK-OOJKYFRXSA-N 0 3 323.437 2.029 20 30 DEEDHN C=C/C(C)=C\CC(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001279089592 1143990649 /nfs/dbraw/zinc/99/06/49/1143990649.db2.gz HWVZFZOKATXOKE-QOTSWMAJSA-N 0 3 318.461 2.375 20 30 DEEDHN C=CCS(=O)(=O)[N-]c1ccccc1OCC1CC[NH+](C)CC1 ZINC001259931437 1144160241 /nfs/dbraw/zinc/16/02/41/1144160241.db2.gz KHUYXWPQHROSRR-UHFFFAOYSA-N 0 3 324.446 2.335 20 30 DEEDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCC#Cc1ccccc1 ZINC001262372005 1144309807 /nfs/dbraw/zinc/30/98/07/1144309807.db2.gz BUSBMFBPSXHDHX-FVQHAEBGSA-N 0 3 312.413 2.493 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@H]2CCCCN2C)cc1 ZINC001262652248 1144325109 /nfs/dbraw/zinc/32/51/09/1144325109.db2.gz AVSNULHVGUMUET-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C#CCC(C)(C)c1nnc(N2CCN(CC(C)C)CC2)n1CC ZINC001263058540 1144352976 /nfs/dbraw/zinc/35/29/76/1144352976.db2.gz LJWRLZIYIBIQLD-UHFFFAOYSA-N 0 3 317.481 2.377 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)NC ZINC001263069949 1144353548 /nfs/dbraw/zinc/35/35/48/1144353548.db2.gz GUMNFLNKZUUFFK-LSDHHAIUSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(C(=O)N(C)CCCC)CC1 ZINC001263076327 1144353816 /nfs/dbraw/zinc/35/38/16/1144353816.db2.gz VIKCOWIRSUMZBP-MRXNPFEDSA-N 0 3 323.481 2.167 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC001263158074 1144359065 /nfs/dbraw/zinc/35/90/65/1144359065.db2.gz QRCJKHRIDRMBLE-JKSUJKDBSA-N 0 3 306.381 2.409 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCn1nc(C)cc1C ZINC001263814732 1144398515 /nfs/dbraw/zinc/39/85/15/1144398515.db2.gz KOTNVFCAFZTNCN-QGZVFWFLSA-N 0 3 318.465 2.389 20 30 DEEDHN C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CCOC ZINC001263946843 1144428625 /nfs/dbraw/zinc/42/86/25/1144428625.db2.gz YTPXKRANWIMISC-JSGCOSHPSA-N 0 3 302.846 2.382 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccc(F)cc2)[C@H]1CC ZINC001264070200 1144455015 /nfs/dbraw/zinc/45/50/15/1144455015.db2.gz MNSYNYVXYIXAFZ-JKSUJKDBSA-N 0 3 306.381 2.360 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC001264157526 1144490782 /nfs/dbraw/zinc/49/07/82/1144490782.db2.gz JJUCFZYQIHAHSZ-WBVHZDCISA-N 0 3 319.449 2.212 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)OCCCC)CC(C)(C)C1 ZINC001264192591 1144502652 /nfs/dbraw/zinc/50/26/52/1144502652.db2.gz BOZHMBDKHDWSKA-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCCC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001264390286 1144526327 /nfs/dbraw/zinc/52/63/27/1144526327.db2.gz OQWVLIKKSDQMTG-OAGGEKHMSA-N 0 3 314.433 2.134 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC3(COC)CC3)C(C)(C)[C@H]21 ZINC001264585916 1144571193 /nfs/dbraw/zinc/57/11/93/1144571193.db2.gz ISAHMVAVOINFJB-PVAVHDDUSA-N 0 3 318.461 2.042 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CCO)[C@@H]2CC)CCCCC1 ZINC001264625422 1144580953 /nfs/dbraw/zinc/58/09/53/1144580953.db2.gz DHHZCRLCQBYOBS-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCCCN(C(=O)CCCC)C1 ZINC001264671646 1144589677 /nfs/dbraw/zinc/58/96/77/1144589677.db2.gz XDEGDZCRRAUIET-HZPDHXFCSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)C(C)(F)F)[C@H]1C ZINC001264720213 1144600298 /nfs/dbraw/zinc/60/02/98/1144600298.db2.gz GEUZEJSCSZFTLM-UPJWGTAASA-N 0 3 304.381 2.059 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccsc2)CC(C)(C)C1 ZINC001264753023 1144606628 /nfs/dbraw/zinc/60/66/28/1144606628.db2.gz ADFNCUHUMFFZCC-AWEZNQCLSA-N 0 3 320.458 2.367 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1csc(C2CC2)n1 ZINC001265043535 1144631123 /nfs/dbraw/zinc/63/11/23/1144631123.db2.gz QABXJXXKZSOCAL-UHFFFAOYSA-N 0 3 305.447 2.024 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1cnn(C)c1 ZINC001265080302 1144638803 /nfs/dbraw/zinc/63/88/03/1144638803.db2.gz PWAYWQQGIPOPEP-ZBFHGGJFSA-N 0 3 304.438 2.246 20 30 DEEDHN C=CCN1CC[C@@H](N(CC)CCCNC(=O)CC(C)(C)C)C1=O ZINC001265099953 1144643090 /nfs/dbraw/zinc/64/30/90/1144643090.db2.gz SCAYNAROEAHCID-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccncc1Cl)C1CC1 ZINC001265176041 1144660746 /nfs/dbraw/zinc/66/07/46/1144660746.db2.gz RCMBFOHLQJNVDI-UHFFFAOYSA-N 0 3 305.809 2.343 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001265210297 1144666635 /nfs/dbraw/zinc/66/66/35/1144666635.db2.gz JBCRFAGXFPSSQU-IEBWSBKVSA-N 0 3 316.445 2.137 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)OCC(C)C)CC1 ZINC001265323765 1144693275 /nfs/dbraw/zinc/69/32/75/1144693275.db2.gz NFTJAGUZUPSXKQ-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CCCC(F)(F)F)CC1 ZINC001265332354 1144695281 /nfs/dbraw/zinc/69/52/81/1144695281.db2.gz SIWLSSJXTLWTRN-LBPRGKRZSA-N 0 3 302.340 2.323 20 30 DEEDHN COCCCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001265469064 1144705714 /nfs/dbraw/zinc/70/57/14/1144705714.db2.gz VQKFMIQNAJXLPN-IYARVYRRSA-N 0 3 314.429 2.092 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2oc(CC)nc2C)C1 ZINC001265536975 1144709991 /nfs/dbraw/zinc/70/99/91/1144709991.db2.gz GZZIBDDRICQZLR-OKILXGFUSA-N 0 3 303.406 2.086 20 30 DEEDHN Cc1cnccc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001265537417 1144710343 /nfs/dbraw/zinc/71/03/43/1144710343.db2.gz UWZRABZABBPSCB-HDICACEKSA-N 0 3 319.408 2.292 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001265540537 1144710528 /nfs/dbraw/zinc/71/05/28/1144710528.db2.gz VGJYXOUJKBLJDH-UPJWGTAASA-N 0 3 313.405 2.163 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001265541506 1144710600 /nfs/dbraw/zinc/71/06/00/1144710600.db2.gz FRZIRYVFTHYYHU-BETUJISGSA-N 0 3 319.453 2.195 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](N[C@H](C)c2cnccn2)C1 ZINC001265554181 1144711827 /nfs/dbraw/zinc/71/18/27/1144711827.db2.gz MQUXFWPVRPNCLM-TUVASFSCSA-N 0 3 302.422 2.377 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccc(C)nc1 ZINC001265657430 1144723645 /nfs/dbraw/zinc/72/36/45/1144723645.db2.gz CMHSCBPOQNTEDS-QGZVFWFLSA-N 0 3 301.434 2.479 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2ccc(C)o2)C1 ZINC001265699416 1144730876 /nfs/dbraw/zinc/73/08/76/1144730876.db2.gz FAXHWWWBGLRSTQ-JKSUJKDBSA-N 0 3 302.418 2.371 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2cncc(C)c2)cc1 ZINC001265806570 1144742649 /nfs/dbraw/zinc/74/26/49/1144742649.db2.gz IDYYRPFMDCVLFN-OAHLLOKOSA-N 0 3 307.397 2.279 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC001265943294 1144764859 /nfs/dbraw/zinc/76/48/59/1144764859.db2.gz PHJTWWGJQSRLNL-INIZCTEOSA-N 0 3 309.413 2.314 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001266055753 1144801229 /nfs/dbraw/zinc/80/12/29/1144801229.db2.gz JHFNILUJHQPIDD-KGLIPLIRSA-N 0 3 319.453 2.232 20 30 DEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC001279304473 1144820383 /nfs/dbraw/zinc/82/03/83/1144820383.db2.gz IPWNKKNHJMMFMP-SFHVURJKSA-N 0 3 314.429 2.197 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001279518886 1144823516 /nfs/dbraw/zinc/82/35/16/1144823516.db2.gz NZUYETNKLYYLNC-AEFFLSMTSA-N 0 3 308.466 2.025 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CC(OCC)C2)C1 ZINC001280033205 1144831275 /nfs/dbraw/zinc/83/12/75/1144831275.db2.gz XAQHMEOEVPILLU-WLYUNCDWSA-N 0 3 314.857 2.382 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](CC)OC)cc1 ZINC001280340060 1144835856 /nfs/dbraw/zinc/83/58/56/1144835856.db2.gz GFGHKYVKWZNTIT-WMLDXEAASA-N 0 3 302.418 2.402 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1nocc1C ZINC001280334179 1144835929 /nfs/dbraw/zinc/83/59/29/1144835929.db2.gz UBXGFOZUKKFSGU-UHFFFAOYSA-N 0 3 311.385 2.368 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cc(C)nn2CC)cc1 ZINC001280354556 1144836339 /nfs/dbraw/zinc/83/63/39/1144836339.db2.gz QEHPFOIUZHMPHE-HNNXBMFYSA-N 0 3 324.428 2.425 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(C)n([C@@H](C)CC)n2)CCC1 ZINC001280490746 1144842378 /nfs/dbraw/zinc/84/23/78/1144842378.db2.gz DHEISPRKUMFUET-ZDUSSCGKSA-N 0 3 302.422 2.038 20 30 DEEDHN C#CCNC1(CNC(=O)c2cccc3c2OCC3(C)C)CCC1 ZINC001280546900 1144844748 /nfs/dbraw/zinc/84/47/48/1144844748.db2.gz CHNJEFQZMRFDKK-UHFFFAOYSA-N 0 3 312.413 2.232 20 30 DEEDHN CC#CCNC1(CNC(=O)CC2CCC(OC)CC2)CCC1 ZINC001280549914 1144844852 /nfs/dbraw/zinc/84/48/52/1144844852.db2.gz YMPHOACLFSEGDP-UHFFFAOYSA-N 0 3 306.450 2.234 20 30 DEEDHN C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)Cn1cccn1 ZINC001281062130 1144870748 /nfs/dbraw/zinc/87/07/48/1144870748.db2.gz CXEMCZQETDEOLO-SFHVURJKSA-N 0 3 324.428 2.002 20 30 DEEDHN C=CCCC(=O)N1CCC[C@](CO)(NCc2cccc(C)c2)C1 ZINC001281103156 1144871592 /nfs/dbraw/zinc/87/15/92/1144871592.db2.gz DBYAKVKFKRECAL-IBGZPJMESA-N 0 3 316.445 2.404 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CC(NC(=O)C(C)(C)N(C)CC)C1 ZINC001281346708 1144884169 /nfs/dbraw/zinc/88/41/69/1144884169.db2.gz FVCUEMFCDHLGLR-UHFFFAOYSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)no2)C(C)(C)C1 ZINC001281537807 1144895498 /nfs/dbraw/zinc/89/54/98/1144895498.db2.gz ZGEXKNJCNVRKEU-HNNXBMFYSA-N 0 3 321.421 2.016 20 30 DEEDHN C=CCCCN1CCOC2(CCN(C(=O)C(C)(C)F)CC2)C1 ZINC001281784731 1144913935 /nfs/dbraw/zinc/91/39/35/1144913935.db2.gz YSGNBCZZKSUABV-UHFFFAOYSA-N 0 3 312.429 2.394 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001282116383 1144987835 /nfs/dbraw/zinc/98/78/35/1144987835.db2.gz YGYHLLCEGKNTPV-HUUCEWRRSA-N 0 3 309.413 2.471 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)CCc1ccnn1C ZINC001282470356 1145075050 /nfs/dbraw/zinc/07/50/50/1145075050.db2.gz ZWBJILZXQWHLGW-CQSZACIVSA-N 0 3 306.454 2.001 20 30 DEEDHN C=CCCC(=O)N1CCO[C@H]([C@H](C)NCc2scnc2C)C1 ZINC001282901349 1145194658 /nfs/dbraw/zinc/19/46/58/1145194658.db2.gz BHZNYYMWJGXONK-JSGCOSHPSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@](C)(C=C)CCOC)C2)C1 ZINC001282968577 1145220103 /nfs/dbraw/zinc/22/01/03/1145220103.db2.gz VLTNQNJIQXVJQW-KRWDZBQOSA-N 0 3 306.450 2.326 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001364455747 1145263978 /nfs/dbraw/zinc/26/39/78/1145263978.db2.gz OZFOYDCAGUKKGP-OALUTQOASA-N 0 3 321.380 2.129 20 30 DEEDHN C=CCCCC(=O)NC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001283430207 1145410555 /nfs/dbraw/zinc/41/05/55/1145410555.db2.gz CNSZKSHZHJFTCL-KRWDZBQOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C1(CC)CCCC1 ZINC001283694089 1145590691 /nfs/dbraw/zinc/59/06/91/1145590691.db2.gz RLJKHSHSZQQCTJ-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001316630029 1145654693 /nfs/dbraw/zinc/65/46/93/1145654693.db2.gz HHQQRBYDQQGUIP-HAQNSBGRSA-N 0 3 303.233 2.449 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001283967319 1145730012 /nfs/dbraw/zinc/73/00/12/1145730012.db2.gz XOTOAQZCXRJZIR-TZMCWYRMSA-N 0 3 324.371 2.246 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@H]1C ZINC001283967318 1145730603 /nfs/dbraw/zinc/73/06/03/1145730603.db2.gz XOTOAQZCXRJZIR-OCCSQVGLSA-N 0 3 324.371 2.246 20 30 DEEDHN Cc1cccnc1CN1CC[C@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001284053851 1145776363 /nfs/dbraw/zinc/77/63/63/1145776363.db2.gz YFFJZIUVRPZPCY-UYAOXDASSA-N 0 3 323.440 2.417 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)CCc3cccs3)CCC[C@@H]12 ZINC001284068132 1145782500 /nfs/dbraw/zinc/78/25/00/1145782500.db2.gz CTLKDNWRDIAALA-NVXWUHKLSA-N 0 3 302.443 2.427 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CC[C@H]3CCCCO3)CCC[C@@H]12 ZINC001284067113 1145783048 /nfs/dbraw/zinc/78/30/48/1145783048.db2.gz KQMMMMSFCMOLRZ-ZHALLVOQSA-N 0 3 318.461 2.472 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CCc3cc(C)on3)CCC[C@@H]12 ZINC001284068965 1145783569 /nfs/dbraw/zinc/78/35/69/1145783569.db2.gz PPHLKGAZMSSHLK-SJLPKXTDSA-N 0 3 315.417 2.052 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc2n(n1)CCCC2)C(C)C ZINC001284539080 1145868909 /nfs/dbraw/zinc/86/89/09/1145868909.db2.gz ZUEFTBPGVFLCCF-UHFFFAOYSA-N 0 3 316.449 2.025 20 30 DEEDHN C=CCC[NH2+]C[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC001284590346 1145875526 /nfs/dbraw/zinc/87/55/26/1145875526.db2.gz OBJJMQHJUOOZTN-CQSZACIVSA-N 0 3 315.421 2.268 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001284673811 1145888727 /nfs/dbraw/zinc/88/87/27/1145888727.db2.gz GBXLVMPIIYXWLW-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)NC[C@H]1CCCN1C(=O)C(C)(C)N(C)CC ZINC001284687354 1145890687 /nfs/dbraw/zinc/89/06/87/1145890687.db2.gz ADRJJCJPDWNRKP-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)[C@H](C)COC)C1 ZINC001365814668 1146018003 /nfs/dbraw/zinc/01/80/03/1146018003.db2.gz SNCXLJDNWQTYTK-ZRJCITRHSA-N 0 3 302.846 2.142 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1Cc1sc(C)nc1C ZINC001365868998 1146033917 /nfs/dbraw/zinc/03/39/17/1146033917.db2.gz WSUAMXVAGRTDRL-DDTOSNHZSA-N 0 3 320.462 2.389 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc(C)n1C[C@@H](c1cccs1)N(C)C ZINC001286279376 1146547201 /nfs/dbraw/zinc/54/72/01/1146547201.db2.gz VGJFEIOTURXSTO-OCCSQVGLSA-N 0 3 317.462 2.409 20 30 DEEDHN C#CCCCC(=O)N(C)C1CC(NCC(=C)Br)C1 ZINC001333057512 1146582595 /nfs/dbraw/zinc/58/25/95/1146582595.db2.gz RRCJSURBYHCOKP-UHFFFAOYSA-N 0 3 313.239 2.278 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccn(C(C)C)n2)C1 ZINC001491950925 1147015429 /nfs/dbraw/zinc/01/54/29/1147015429.db2.gz DEMAWEAXSSXLSJ-OAHLLOKOSA-N 0 3 302.422 2.024 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C(C)C)nn2C)C1 ZINC001491955916 1147019272 /nfs/dbraw/zinc/01/92/72/1147019272.db2.gz GHXFHHVPDTUQKQ-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H](C)NCc1cnc(C)cn1 ZINC001492077251 1147064238 /nfs/dbraw/zinc/06/42/38/1147064238.db2.gz BXXYCYGDGYUHRB-CXAGYDPISA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ncoc1-c1ccon1 ZINC001492112821 1147079060 /nfs/dbraw/zinc/07/90/60/1147079060.db2.gz KHDXZDRBVNCAKO-JTQLQIEISA-N 0 3 324.768 2.180 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2ccn(CC)n2)C1 ZINC001492081496 1147087191 /nfs/dbraw/zinc/08/71/91/1147087191.db2.gz XQMLKPAEAPDGJS-CQSZACIVSA-N 0 3 304.438 2.244 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001492236119 1147175620 /nfs/dbraw/zinc/17/56/20/1147175620.db2.gz FHHUKXFSVSHMHM-IBGZPJMESA-N 0 3 316.445 2.050 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CCCC(C)=O)C2)CC1 ZINC001316672121 1147214424 /nfs/dbraw/zinc/21/44/24/1147214424.db2.gz YTROKWYOMNBWQI-OAHLLOKOSA-N 0 3 304.434 2.082 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc(C)c(F)cc1F ZINC001492299229 1147223980 /nfs/dbraw/zinc/22/39/80/1147223980.db2.gz SMDCPUALEJRLSO-UHFFFAOYSA-N 0 3 312.360 2.137 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccc(F)nc2)[C@H]1CC ZINC001316731557 1147339348 /nfs/dbraw/zinc/33/93/48/1147339348.db2.gz JMFTUCKBWIGUGP-LSDHHAIUSA-N 0 3 321.396 2.006 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)[C@]1(C)CCc2ccccc21 ZINC001317472744 1147436144 /nfs/dbraw/zinc/43/61/44/1147436144.db2.gz KITFUPZGGVDUSI-LJQANCHMSA-N 0 3 316.445 2.141 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCCCC[C@@H](NCC(=O)N(C)C)C1 ZINC001316774435 1147578439 /nfs/dbraw/zinc/57/84/39/1147578439.db2.gz KYEOVTFOEFDJRT-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)n2ccc(C)n2)[C@H]1C ZINC001316788086 1147600172 /nfs/dbraw/zinc/60/01/72/1147600172.db2.gz OQJCOQAAPSOHJW-XHSDSOJGSA-N 0 3 304.438 2.298 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001316838110 1147612261 /nfs/dbraw/zinc/61/22/61/1147612261.db2.gz OTOHPJOQZLVYBN-SFHVURJKSA-N 0 3 314.429 2.150 20 30 DEEDHN CC#CCN(C)CCCNC(=O)COc1ccc2c(c1)CCC2 ZINC001316864550 1147617148 /nfs/dbraw/zinc/61/71/48/1147617148.db2.gz LFNVMVOBOHGKJX-UHFFFAOYSA-N 0 3 314.429 2.016 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)CCc2csc(C)n2)CC1 ZINC001316933087 1147634423 /nfs/dbraw/zinc/63/44/23/1147634423.db2.gz GZQGQFWWPFRBGK-UHFFFAOYSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H](C)c2cccs2)CC1 ZINC001316967691 1147640187 /nfs/dbraw/zinc/64/01/87/1147640187.db2.gz DWMTWPOQKUJKME-OAHLLOKOSA-N 0 3 321.490 2.162 20 30 DEEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001316995094 1147646099 /nfs/dbraw/zinc/64/60/99/1147646099.db2.gz TUYMINNRCLPLJA-OAHLLOKOSA-N 0 3 319.453 2.157 20 30 DEEDHN CCCCC[C@H](CC)C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001317067784 1147655792 /nfs/dbraw/zinc/65/57/92/1147655792.db2.gz BXZPGMKMGJFYBG-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cccc2)C1 ZINC001317099727 1147659506 /nfs/dbraw/zinc/65/95/06/1147659506.db2.gz IVQUNIYWEJOYAZ-ROUUACIJSA-N 0 3 313.445 2.214 20 30 DEEDHN CC(C)(C)OCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317107901 1147660530 /nfs/dbraw/zinc/66/05/30/1147660530.db2.gz HDLHVIMUVGXLAC-CALCHBBNSA-N 0 3 314.429 2.090 20 30 DEEDHN C=CCCOCC(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001317138555 1147665389 /nfs/dbraw/zinc/66/53/89/1147665389.db2.gz SSNJMBCMNSCFSF-INIZCTEOSA-N 0 3 317.433 2.003 20 30 DEEDHN CCC1(C(=O)N[C@H](C)[C@H]2CCCN(CC#CCOC)C2)CCC1 ZINC001317206239 1147676503 /nfs/dbraw/zinc/67/65/03/1147676503.db2.gz BUNZXQSCCQIJJK-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCC(=O)NC[C@@H](C)NCc1cccc(NC(C)=O)c1 ZINC001317230683 1147679926 /nfs/dbraw/zinc/67/99/26/1147679926.db2.gz WMDAFKYMRIIONA-CYBMUJFWSA-N 0 3 303.406 2.206 20 30 DEEDHN C#CCOCCC(=O)NC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001317239692 1147681331 /nfs/dbraw/zinc/68/13/31/1147681331.db2.gz DENRJYMXRHFKSO-QWHCGFSZSA-N 0 3 324.371 2.160 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001317303219 1147687855 /nfs/dbraw/zinc/68/78/55/1147687855.db2.gz TXYXNDLKWZGHCB-KRWDZBQOSA-N 0 3 309.413 2.314 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cncc3[nH]ccc32)C1 ZINC001317374364 1147698623 /nfs/dbraw/zinc/69/86/23/1147698623.db2.gz CQQNPIBMVTWDHL-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cn(CC)nc1C)C(C)C ZINC001367486235 1147701079 /nfs/dbraw/zinc/70/10/79/1147701079.db2.gz SVCNIQCHWVLYLG-CQSZACIVSA-N 0 3 312.845 2.308 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@H](F)Cc1ccccc1 ZINC001317517028 1147718707 /nfs/dbraw/zinc/71/87/07/1147718707.db2.gz QPQJKCYFPPRNNP-DLBZAZTESA-N 0 3 302.393 2.171 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1CCCC[C@H]1n1cccn1)C1CC1 ZINC001317552313 1147723825 /nfs/dbraw/zinc/72/38/25/1147723825.db2.gz RNPODOVQXJAJJD-DLBZAZTESA-N 0 3 316.449 2.381 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC001317556117 1147724709 /nfs/dbraw/zinc/72/47/09/1147724709.db2.gz YUJSQUDNVJPDNG-MRXNPFEDSA-N 0 3 320.820 2.410 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cnc(COC)s1)C1CC1 ZINC001317560598 1147725398 /nfs/dbraw/zinc/72/53/98/1147725398.db2.gz PHLDNMWFXPPWEH-UHFFFAOYSA-N 0 3 309.435 2.060 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C#CC(C)(C)C ZINC001317585035 1147729119 /nfs/dbraw/zinc/72/91/19/1147729119.db2.gz MKAPNWGEAGPZOL-UHFFFAOYSA-N 0 3 303.431 2.217 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001317664115 1147740835 /nfs/dbraw/zinc/74/08/35/1147740835.db2.gz JNIMEZJVUIHDLL-UHFFFAOYSA-N 0 3 314.385 2.053 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CSCC#N)c1ccccc1 ZINC001317715068 1147746569 /nfs/dbraw/zinc/74/65/69/1147746569.db2.gz WYAGQCREHLJVRB-OAHLLOKOSA-N 0 3 303.431 2.266 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](NC[C@@H](C)O)c1ccccc1 ZINC001317717676 1147746842 /nfs/dbraw/zinc/74/68/42/1147746842.db2.gz GPSBULRFASDZJU-ZBFHGGJFSA-N 0 3 304.434 2.417 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cnc2[nH]cnc2c1)c1ccccc1 ZINC001317718425 1147746854 /nfs/dbraw/zinc/74/68/54/1147746854.db2.gz OCNGHGDMXCKMPM-MRXNPFEDSA-N 0 3 321.384 2.205 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)c1cnc(C)n1C)c1ccccc1 ZINC001317722723 1147747314 /nfs/dbraw/zinc/74/73/14/1147747314.db2.gz ZBZPVDQZJNUTFD-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001317733236 1147748233 /nfs/dbraw/zinc/74/82/33/1147748233.db2.gz SVPDXJROTYGTIO-HDICACEKSA-N 0 3 314.429 2.107 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2cccs2)CC1 ZINC001317812676 1147754787 /nfs/dbraw/zinc/75/47/87/1147754787.db2.gz AKROLAYRSHGPQA-UHFFFAOYSA-N 0 3 307.463 2.014 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001317853334 1147757886 /nfs/dbraw/zinc/75/78/86/1147757886.db2.gz KVHTUSMARXSUCO-GHKASPMYSA-N 0 3 312.841 2.110 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC001317943785 1147762412 /nfs/dbraw/zinc/76/24/12/1147762412.db2.gz VOKDOIQMJJCRBI-IAGOWNOFSA-N 0 3 306.450 2.330 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001367862149 1147763261 /nfs/dbraw/zinc/76/32/61/1147763261.db2.gz NJDUXAMOPJWFFN-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC ZINC001318215547 1147799564 /nfs/dbraw/zinc/79/95/64/1147799564.db2.gz GZMLIOMCCZTAJG-KKUMJFAQSA-N 0 3 315.417 2.344 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CCN(CCc2scnc2C)C1 ZINC001318247693 1147804275 /nfs/dbraw/zinc/80/42/75/1147804275.db2.gz IVKJCMKIYDVFEH-HNNXBMFYSA-N 0 3 319.474 2.378 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CCCCCF)C2)cn1 ZINC001318299871 1147809101 /nfs/dbraw/zinc/80/91/01/1147809101.db2.gz MKZPPVFORFFRDM-INIZCTEOSA-N 0 3 303.381 2.007 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001324655944 1147826471 /nfs/dbraw/zinc/82/64/71/1147826471.db2.gz JXIOVWOBCKVHQJ-WMZOPIPTSA-N 0 3 320.408 2.480 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3ncccc3F)CC2)c1 ZINC001368027410 1147834934 /nfs/dbraw/zinc/83/49/34/1147834934.db2.gz HIOYYVLPHBTCLK-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC001324892025 1147855704 /nfs/dbraw/zinc/85/57/04/1147855704.db2.gz HEVBCXCIJPCMIB-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)nc2cc(F)ccc21 ZINC001325062741 1147872089 /nfs/dbraw/zinc/87/20/89/1147872089.db2.gz HLKSXUIIBCIEHG-UHFFFAOYSA-N 0 3 313.376 2.367 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccccc2Cl)C1 ZINC001325153161 1147880951 /nfs/dbraw/zinc/88/09/51/1147880951.db2.gz IHHHCMTWESYHKE-MRXNPFEDSA-N 0 3 308.809 2.083 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCc2ccc(Cl)cc2C1 ZINC001325362415 1147896169 /nfs/dbraw/zinc/89/61/69/1147896169.db2.gz GBDRCNGSDOXEBP-UHFFFAOYSA-N 0 3 319.836 2.363 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2CCOC1CCC1 ZINC001325901541 1148016885 /nfs/dbraw/zinc/01/68/85/1148016885.db2.gz XNDSOIUXSDIMDO-QZTJIDSGSA-N 0 3 318.461 2.280 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)OCC2CC2)cc1 ZINC001326466863 1148108141 /nfs/dbraw/zinc/10/81/41/1148108141.db2.gz DPHDZQJAOOMVCQ-GJZGRUSLSA-N 0 3 314.429 2.402 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCc2cn[nH]c2)cc1 ZINC001326479036 1148109357 /nfs/dbraw/zinc/10/93/57/1148109357.db2.gz FKKPCFQLYGJJAT-OAHLLOKOSA-N 0 3 324.428 2.333 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](CNCc1cncc(F)c1)C1CCCC1 ZINC001368131650 1148260217 /nfs/dbraw/zinc/26/02/17/1148260217.db2.gz BZLZEQUZNUQUGX-MLGOLLRUSA-N 0 3 318.396 2.145 20 30 DEEDHN CC#CCNC1(CNC(=O)c2ccn(-c3ccccc3)n2)CCC1 ZINC001326847189 1148269877 /nfs/dbraw/zinc/26/98/77/1148269877.db2.gz WTSAZHIDCUJGQN-UHFFFAOYSA-N 0 3 322.412 2.138 20 30 DEEDHN Cc1ccccc1OCCN1CC[C@@](C)(NC(=O)[C@H](C)C#N)C1 ZINC001368154040 1148284185 /nfs/dbraw/zinc/28/41/85/1148284185.db2.gz PJVYEVUVPQMVBM-CRAIPNDOSA-N 0 3 315.417 2.114 20 30 DEEDHN C=CCO[C@@H]1CCN(C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC001327053167 1148317260 /nfs/dbraw/zinc/31/72/60/1148317260.db2.gz OUNJMVDPHJRXKO-QZTJIDSGSA-N 0 3 302.418 2.169 20 30 DEEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]1C1CC1 ZINC000625135908 365656517 /nfs/dbraw/zinc/65/65/17/365656517.db2.gz MPCZOHYLIFQINL-QGZVFWFLSA-N 0 3 308.381 2.160 20 30 DEEDHN N#CCN1CCC(N[C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000612571082 361863586 /nfs/dbraw/zinc/86/35/86/361863586.db2.gz VZMVZDSWYDXGOG-SFHVURJKSA-N 0 3 307.401 2.144 20 30 DEEDHN C[C@H]1CN(CC2CCN(Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000092587208 185327429 /nfs/dbraw/zinc/32/74/29/185327429.db2.gz ZXXXZXCDQRYKPT-GJZGRUSLSA-N 0 3 317.433 2.472 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H](CCO)C(C)(C)C)c(C#N)c1C ZINC000181467909 199302277 /nfs/dbraw/zinc/30/22/77/199302277.db2.gz CXZVPCIRAANYTI-ZDUSSCGKSA-N 0 3 307.394 2.093 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000614401977 362372198 /nfs/dbraw/zinc/37/21/98/362372198.db2.gz URIQSWPVCRGMAZ-LJQANCHMSA-N 0 3 312.461 2.079 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000614747449 362452718 /nfs/dbraw/zinc/45/27/18/362452718.db2.gz UZHXCKVHCLVQPG-XJKSGUPXSA-N 0 3 310.825 2.038 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000614880019 362482625 /nfs/dbraw/zinc/48/26/25/362482625.db2.gz YMSILOBBEBOOII-SJORKVTESA-N 0 3 304.434 2.151 20 30 DEEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000068476165 190769538 /nfs/dbraw/zinc/76/95/38/190769538.db2.gz DJNGPOYTRWVCIJ-CYBMUJFWSA-N 0 3 301.390 2.386 20 30 DEEDHN C=C[C@H](O)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000616478163 362869991 /nfs/dbraw/zinc/86/99/91/362869991.db2.gz MAFNVJBIVONZTD-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN N#Cc1cc(F)c(C(=O)NC2CCN(C3CC3)CC2)c(F)c1 ZINC000152518754 186081581 /nfs/dbraw/zinc/08/15/81/186081581.db2.gz MIASZMJTHPYXBG-UHFFFAOYSA-N 0 3 305.328 2.193 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(F)c2F)CC1 ZINC000155890549 186120981 /nfs/dbraw/zinc/12/09/81/186120981.db2.gz WEFDTNLCZJGAIQ-GFCCVEGCSA-N 0 3 306.356 2.487 20 30 DEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000595472964 358457792 /nfs/dbraw/zinc/45/77/92/358457792.db2.gz JILFOEZTEGMEBX-CRAIPNDOSA-N 0 3 300.402 2.371 20 30 DEEDHN C=C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000266864913 186364012 /nfs/dbraw/zinc/36/40/12/186364012.db2.gz VUNGRFKTXYPBQI-UHFFFAOYSA-N 0 3 313.445 2.377 20 30 DEEDHN CCS[C@@H]1CC[C@H](N(C)CC(=O)N(CCC#N)CCC#N)C1 ZINC000072837587 191236493 /nfs/dbraw/zinc/23/64/93/191236493.db2.gz LCSVRLCPQWAHAW-LSDHHAIUSA-N 0 3 322.478 2.248 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCc1noc2c1CCCC2 ZINC000329705895 539927410 /nfs/dbraw/zinc/92/74/10/539927410.db2.gz KRAAZOODFRECOI-UHFFFAOYSA-N 0 3 320.437 2.241 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1F ZINC000331927643 234288235 /nfs/dbraw/zinc/28/82/35/234288235.db2.gz MJZMZMQTIJHXHZ-USXIJHARSA-N 0 3 304.365 2.059 20 30 DEEDHN CCc1cc(N2CCC[C@@H](NCc3ccc(C#N)o3)C2)ncn1 ZINC000174383922 198328318 /nfs/dbraw/zinc/32/83/18/198328318.db2.gz NUAORVRCBNVQJO-CQSZACIVSA-N 0 3 311.389 2.262 20 30 DEEDHN N#Cc1ccc(CNCCCN2C(=O)COc3ccccc32)o1 ZINC000174522017 198345853 /nfs/dbraw/zinc/34/58/53/198345853.db2.gz QAPHKCWMZHMCAH-UHFFFAOYSA-N 0 3 311.341 2.057 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000617920326 363307282 /nfs/dbraw/zinc/30/72/82/363307282.db2.gz SSDDTRCHQNLECE-ZACQAIPSSA-N 0 3 300.402 2.426 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C1CC1)C1CCC(CC)CC1 ZINC000052103387 354394435 /nfs/dbraw/zinc/39/44/35/354394435.db2.gz AGYXBRHAWZATCB-UHFFFAOYSA-N 0 3 307.438 2.431 20 30 DEEDHN C=CCOc1ccc(C(=O)NC2CCN(C)CC2)cc1OC ZINC000054460134 354463660 /nfs/dbraw/zinc/46/36/60/354463660.db2.gz XTRQYRYFRRFEIO-UHFFFAOYSA-N 0 3 304.390 2.084 20 30 DEEDHN CN(CCNC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000054764494 354472899 /nfs/dbraw/zinc/47/28/99/354472899.db2.gz BZFMPADGXJVNHV-UHFFFAOYSA-N 0 3 322.412 2.489 20 30 DEEDHN C=CCOc1cccc(NC(=O)NCCCN(C)CCOC)c1 ZINC000056661008 354539982 /nfs/dbraw/zinc/53/99/82/354539982.db2.gz YGLSTZDWEFQOLK-UHFFFAOYSA-N 0 3 321.421 2.341 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN(C1CC1)C1CCCCC1 ZINC000065588773 354685713 /nfs/dbraw/zinc/68/57/13/354685713.db2.gz LFAUINJUOINYPP-UHFFFAOYSA-N 0 3 302.422 2.439 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000424087896 283051735 /nfs/dbraw/zinc/05/17/35/283051735.db2.gz SHFVVZWWCKGWTE-LSDHHAIUSA-N 0 3 303.431 2.324 20 30 DEEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000073353765 354955754 /nfs/dbraw/zinc/95/57/54/354955754.db2.gz DEAKURJNPBBBHJ-UHFFFAOYSA-N 0 3 323.462 2.264 20 30 DEEDHN C=C(C)CN1CCC(Nc2cc(OC)nc(COC)n2)CC1 ZINC000355426414 540081193 /nfs/dbraw/zinc/08/11/93/540081193.db2.gz WKLYKXJFKMSLHQ-UHFFFAOYSA-N 0 3 306.410 2.084 20 30 DEEDHN C=C(Cl)CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000077790819 355229343 /nfs/dbraw/zinc/22/93/43/355229343.db2.gz XLAYINLFZGQJPK-UHFFFAOYSA-N 0 3 311.813 2.179 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC000081355684 355421507 /nfs/dbraw/zinc/42/15/07/355421507.db2.gz KAFNZGWKZYELSG-GJZGRUSLSA-N 0 3 322.449 2.123 20 30 DEEDHN COc1ccc(CN2CCC[C@@H]2CO)cc1OCCCC#N ZINC000092471038 355635068 /nfs/dbraw/zinc/63/50/68/355635068.db2.gz OBKUZGPWPBPGBF-OAHLLOKOSA-N 0 3 304.390 2.334 20 30 DEEDHN Cc1cscc1CNC[C@H](O)COc1ccccc1C#N ZINC000094881095 355696573 /nfs/dbraw/zinc/69/65/73/355696573.db2.gz SRGRDVMQNHWKEU-HNNXBMFYSA-N 0 3 302.399 2.458 20 30 DEEDHN COc1ccc(COC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595608926 358500031 /nfs/dbraw/zinc/50/00/31/358500031.db2.gz CEUGZBXJENMIMR-WBVHZDCISA-N 0 3 318.417 2.198 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000182814336 356147479 /nfs/dbraw/zinc/14/74/79/356147479.db2.gz GIIFBZSTABZAAI-INIZCTEOSA-N 0 3 316.449 2.352 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000182823578 356147600 /nfs/dbraw/zinc/14/76/00/356147600.db2.gz DCRGQIPYIHSRRB-DOTOQJQBSA-N 0 3 314.433 2.452 20 30 DEEDHN C[C@@H](C#N)CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000183839723 356181349 /nfs/dbraw/zinc/18/13/49/356181349.db2.gz IOGWOJDYZOUSKS-HNNXBMFYSA-N 0 3 300.450 2.466 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CNCCOCC2CCCC2)cc1 ZINC000313267447 356413580 /nfs/dbraw/zinc/41/35/80/356413580.db2.gz UDXUBXXMKPLRNT-KRWDZBQOSA-N 0 3 318.417 2.094 20 30 DEEDHN C=C[C@H](C(=O)OC)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000323392861 356456523 /nfs/dbraw/zinc/45/65/23/356456523.db2.gz LBIOJPAQHSVTRN-NVXWUHKLSA-N 0 3 302.418 2.168 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(C)cccc1Br ZINC000380839868 356669824 /nfs/dbraw/zinc/66/98/24/356669824.db2.gz NWZMNRBYKUCQFZ-UHFFFAOYSA-N 0 3 323.234 2.442 20 30 DEEDHN C[C@H]1CCN(c2ncncc2C#N)CCN1Cc1ccccc1 ZINC000383074031 356678553 /nfs/dbraw/zinc/67/85/53/356678553.db2.gz RVOPPVMWKDBNBX-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN C=C[C@@H](N[C@H](CN(C)Cc1ccccc1)C(C)C)C(=O)OC ZINC000398155551 356720234 /nfs/dbraw/zinc/72/02/34/356720234.db2.gz QOSMEYFKXAHORQ-IAGOWNOFSA-N 0 3 304.434 2.460 20 30 DEEDHN N#Cc1cnn2cc(CNCC3(c4ccccn4)CCC3)cnc12 ZINC000578507624 356828681 /nfs/dbraw/zinc/82/86/81/356828681.db2.gz YDAPFLYQYVCNBQ-UHFFFAOYSA-N 0 3 318.384 2.207 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccccc2F)s1 ZINC000579465295 356977663 /nfs/dbraw/zinc/97/76/63/356977663.db2.gz SRHZRXGSXRJDOQ-LLVKDONJSA-N 0 3 306.362 2.288 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCC2(CC#N)CC2)C[C@@H](C)C1 ZINC000580750405 357073911 /nfs/dbraw/zinc/07/39/11/357073911.db2.gz HBNJBHMGAKUWQG-SOUVJXGZSA-N 0 3 304.438 2.052 20 30 DEEDHN C=CC[NH+](CC=C)[C@H](CNc1ccncc1C(=O)[O-])C(C)C ZINC000581074146 357126948 /nfs/dbraw/zinc/12/69/48/357126948.db2.gz KLSCLUUZZBCVCO-MRXNPFEDSA-N 0 3 303.406 2.312 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(C#N)ccc3F)[C@H]2C1 ZINC000581847999 357255258 /nfs/dbraw/zinc/25/52/58/357255258.db2.gz IHYVXAVWPZGXRM-QILLFSRXSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584847692 357321278 /nfs/dbraw/zinc/32/12/78/357321278.db2.gz VNAAEYXFRCFMCJ-FZZIBODNSA-N 0 3 321.808 2.288 20 30 DEEDHN N#Cc1cc(CN2CCC[C@H](N3CCOCC3)CC2)ccc1F ZINC000585716951 357348443 /nfs/dbraw/zinc/34/84/43/357348443.db2.gz LEPQFAYYCASSJF-KRWDZBQOSA-N 0 3 317.408 2.384 20 30 DEEDHN N#CCN1CCC(N[C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000589945421 357506476 /nfs/dbraw/zinc/50/64/76/357506476.db2.gz DARITMVCLDYXNA-HNNXBMFYSA-N 0 3 302.426 2.004 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@@H]3CC[C@@](O)(C(F)(F)F)C3)n2c1 ZINC000589938954 357506975 /nfs/dbraw/zinc/50/69/75/357506975.db2.gz GSFGSVUGAZTKHR-RISCZKNCSA-N 0 3 324.306 2.141 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(C#N)n2)o1 ZINC000589450469 357470706 /nfs/dbraw/zinc/47/07/06/357470706.db2.gz HKEDKFSBNDNORP-UHFFFAOYSA-N 0 3 312.373 2.059 20 30 DEEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cccc(C#N)n1 ZINC000589752855 357493945 /nfs/dbraw/zinc/49/39/45/357493945.db2.gz UWVGOXPGUGUKOJ-UHFFFAOYSA-N 0 3 310.357 2.276 20 30 DEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000590256914 357528511 /nfs/dbraw/zinc/52/85/11/357528511.db2.gz LABHXSUPXHOSFN-INIZCTEOSA-N 0 3 314.433 2.228 20 30 DEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000590671393 357576917 /nfs/dbraw/zinc/57/69/17/357576917.db2.gz BDTZLWSPIKELRJ-KRWDZBQOSA-N 0 3 322.412 2.243 20 30 DEEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000590603024 357565175 /nfs/dbraw/zinc/56/51/75/357565175.db2.gz KUULNTHNKMCEIU-GUDVDZBRSA-N 0 3 313.445 2.420 20 30 DEEDHN C[C@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C)CN1 ZINC000591358305 357713669 /nfs/dbraw/zinc/71/36/69/357713669.db2.gz ZLISDJDTQFYXMB-QWRGUYRKSA-N 0 3 306.797 2.103 20 30 DEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@H](O)Cc3ccccc3)C2)nc1 ZINC000292356349 223016353 /nfs/dbraw/zinc/01/63/53/223016353.db2.gz XRGSLXQYTPQAHH-MSOLQXFVSA-N 0 3 323.396 2.010 20 30 DEEDHN N#Cc1cccc([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000591821556 357765397 /nfs/dbraw/zinc/76/53/97/357765397.db2.gz QYBGBBZGTRNKRQ-CQSZACIVSA-N 0 3 316.361 2.132 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)[C@@H]2C1 ZINC000591873300 357773753 /nfs/dbraw/zinc/77/37/53/357773753.db2.gz JCSRXGJSDUQDTM-RYQLBKOJSA-N 0 3 324.428 2.281 20 30 DEEDHN CSc1ccccc1NC(=O)CCN1CC[C@](O)(CC#N)C1 ZINC000592149531 357840990 /nfs/dbraw/zinc/84/09/90/357840990.db2.gz QNCKDUIXQWXLGS-MRXNPFEDSA-N 0 3 319.430 2.088 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(C)CC2(F)F)CC1 ZINC000660597972 540309991 /nfs/dbraw/zinc/30/99/91/540309991.db2.gz UPJDWGYCSMFQAE-CQSZACIVSA-N 0 3 301.381 2.371 20 30 DEEDHN COc1ccc(C[C@@H](C)CN2CC[C@@](O)(CC#N)C2)cc1F ZINC000592523061 357894344 /nfs/dbraw/zinc/89/43/44/357894344.db2.gz VHIBEEAHORGWAZ-DYVFJYSZSA-N 0 3 306.381 2.363 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000592729355 357932190 /nfs/dbraw/zinc/93/21/90/357932190.db2.gz MVRNMSHMMJTNLT-PBHICJAKSA-N 0 3 323.396 2.411 20 30 DEEDHN C=CCN1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593452729 358082230 /nfs/dbraw/zinc/08/22/30/358082230.db2.gz DTNXRYGMQSZOKH-UHFFFAOYSA-N 0 3 321.352 2.043 20 30 DEEDHN N#CCC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000594284116 358238886 /nfs/dbraw/zinc/23/88/86/358238886.db2.gz SDQOLAYEOCILPY-CVEARBPZSA-N 0 3 304.438 2.339 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cc2n(n1)CCCO2 ZINC000594361110 358248922 /nfs/dbraw/zinc/24/89/22/358248922.db2.gz VZICLTSAAVOSRC-OAHLLOKOSA-N 0 3 324.384 2.054 20 30 DEEDHN CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426299 358266239 /nfs/dbraw/zinc/26/62/39/358266239.db2.gz CHPIGFRDHFVSJK-INIZCTEOSA-N 0 3 303.406 2.455 20 30 DEEDHN CC(=O)Nc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1F ZINC000594430210 358267676 /nfs/dbraw/zinc/26/76/76/358267676.db2.gz WZFMDBRPQIUCQC-ZDUSSCGKSA-N 0 3 306.341 2.134 20 30 DEEDHN Cn1nc(C2CCCC2)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594437316 358270471 /nfs/dbraw/zinc/27/04/71/358270471.db2.gz MWUFKAYZWHJHIZ-ZDUSSCGKSA-N 0 3 303.410 2.427 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CCN(C2CC2)CC1 ZINC000618797856 363604101 /nfs/dbraw/zinc/60/41/01/363604101.db2.gz URRKXMLZNYNCNG-GOSISDBHSA-N 0 3 324.428 2.472 20 30 DEEDHN Cc1c[nH]c(CNC2CCC(Oc3ncccc3C#N)CC2)n1 ZINC000594937216 358364054 /nfs/dbraw/zinc/36/40/54/358364054.db2.gz GQEMQXAXLIUWQI-UHFFFAOYSA-N 0 3 311.389 2.465 20 30 DEEDHN COc1ccc(N2C[C@H](N[C@H]3CCC[C@H](C#N)C3)CC2=O)cc1 ZINC000595070409 358386551 /nfs/dbraw/zinc/38/65/51/358386551.db2.gz URFADTQSHOVMMU-SOUVJXGZSA-N 0 3 313.401 2.472 20 30 DEEDHN N#Cc1ccc(CCN2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000595348370 358427317 /nfs/dbraw/zinc/42/73/17/358427317.db2.gz RQSATQKQGLQTAO-SFHVURJKSA-N 0 3 300.402 2.371 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618820894 363611032 /nfs/dbraw/zinc/61/10/32/363611032.db2.gz LXFWLTGYIQMPDW-PJSAGSTRSA-N 0 3 324.428 2.327 20 30 DEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791487 358550085 /nfs/dbraw/zinc/55/00/85/358550085.db2.gz UVYDKRBTNPJIQK-HZPDHXFCSA-N 0 3 307.438 2.030 20 30 DEEDHN C#CCSCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181099065 199252706 /nfs/dbraw/zinc/25/27/06/199252706.db2.gz YUYGKFNRRRGTMB-LLVKDONJSA-N 0 3 315.435 2.246 20 30 DEEDHN N#Cc1cccc(NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000181143497 199256576 /nfs/dbraw/zinc/25/65/76/199256576.db2.gz LZHXVBDHRLDTIU-KRWDZBQOSA-N 0 3 308.385 2.132 20 30 DEEDHN N#Cc1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)c[nH]1 ZINC000181207360 199265275 /nfs/dbraw/zinc/26/52/75/199265275.db2.gz UQSQFDXLFWLJHI-UHFFFAOYSA-N 0 3 322.412 2.323 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CCCCC1 ZINC000627268589 366495157 /nfs/dbraw/zinc/49/51/57/366495157.db2.gz FORLZJSPIJTDRQ-HOTGVXAUSA-N 0 3 306.450 2.181 20 30 DEEDHN CC(C)(C)N1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000597921872 359041713 /nfs/dbraw/zinc/04/17/13/359041713.db2.gz HDCBYGPOARGUEA-ZDUSSCGKSA-N 0 3 303.381 2.229 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)COc1ccccc1C#N ZINC000598265537 359142100 /nfs/dbraw/zinc/14/21/00/359142100.db2.gz UEFYBBAGSJXQLW-OAHLLOKOSA-N 0 3 315.417 2.174 20 30 DEEDHN CO[C@]1(C(F)(F)F)CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598606608 359259310 /nfs/dbraw/zinc/25/93/10/359259310.db2.gz IEZKXGAUUJPMHA-WCQYABFASA-N 0 3 308.344 2.330 20 30 DEEDHN Cc1cc(C)n([C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1 ZINC000598589641 359251722 /nfs/dbraw/zinc/25/17/22/359251722.db2.gz UJRJQRXLDKDBCI-HOTGVXAUSA-N 0 3 304.438 2.438 20 30 DEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598590146 359251796 /nfs/dbraw/zinc/25/17/96/359251796.db2.gz KUPLJYOECMHTBS-KRWDZBQOSA-N 0 3 315.417 2.307 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000598598716 359256485 /nfs/dbraw/zinc/25/64/85/359256485.db2.gz SZRQHPWGIXEFMM-DZGCQCFKSA-N 0 3 317.437 2.093 20 30 DEEDHN CC(C)C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1nc(-c2nc[n-]n2)no1 ZINC000618888045 363625062 /nfs/dbraw/zinc/62/50/62/363625062.db2.gz QLSIPDNIKVBXFA-NWDGAFQWSA-N 0 3 317.397 2.471 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc2c(c1)OCCCO2 ZINC000598721070 359305643 /nfs/dbraw/zinc/30/56/43/359305643.db2.gz RKOMPRZUAOTRRE-CQSZACIVSA-N 0 3 304.390 2.238 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(OCC2CC2)nc1 ZINC000598720528 359305723 /nfs/dbraw/zinc/30/57/23/359305723.db2.gz OHVXCCFTVCNKPG-HNNXBMFYSA-N 0 3 303.406 2.261 20 30 DEEDHN CN1CCN(C)c2cc(NC[C@H](O)CC(C)(C)C#N)ccc2C1 ZINC000598725448 359306513 /nfs/dbraw/zinc/30/65/13/359306513.db2.gz FITBMFSYKZSVKK-MRXNPFEDSA-N 0 3 316.449 2.281 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1c(F)cccc1-n1cccn1 ZINC000598727499 359307736 /nfs/dbraw/zinc/30/77/36/359307736.db2.gz IXMXUXYBJAXNGE-ZDUSSCGKSA-N 0 3 316.380 2.402 20 30 DEEDHN CN1CCN(C[C@H](O)CC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000598615007 359261512 /nfs/dbraw/zinc/26/15/12/359261512.db2.gz PXQSQQUVVQCDLV-QZTJIDSGSA-N 0 3 315.461 2.146 20 30 DEEDHN N#Cc1ccc(CN2CCC(N3CCc4n[nH]cc4C3)CC2)cc1 ZINC000598940725 359362033 /nfs/dbraw/zinc/36/20/33/359362033.db2.gz RCZMMYKZKXBGAQ-UHFFFAOYSA-N 0 3 321.428 2.304 20 30 DEEDHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000599074254 359396415 /nfs/dbraw/zinc/39/64/15/359396415.db2.gz VMXVKEUVFFFOEW-DAXOMENPSA-N 0 3 321.446 2.069 20 30 DEEDHN CCN1CCN([C@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)CC1 ZINC000599294685 359453613 /nfs/dbraw/zinc/45/36/13/359453613.db2.gz GLHQIEITPPXZSM-IBGZPJMESA-N 0 3 312.461 2.079 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCCC(F)(F)CC2)cc1 ZINC000599551397 359523659 /nfs/dbraw/zinc/52/36/59/359523659.db2.gz MHKFJFFZYHEGRY-AWEZNQCLSA-N 0 3 310.344 2.419 20 30 DEEDHN CCN1CCCN(C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 ZINC000599815908 359604008 /nfs/dbraw/zinc/60/40/08/359604008.db2.gz BLFCFYMTDDSNHF-UHFFFAOYSA-N 0 3 320.368 2.265 20 30 DEEDHN C=CCC[C@@H](C(=O)NC[C@@](C)(O)CN(C)C)c1ccccc1 ZINC000187159513 200069663 /nfs/dbraw/zinc/06/96/63/200069663.db2.gz MZMXAVNOGQMMNC-SJLPKXTDSA-N 0 3 304.434 2.165 20 30 DEEDHN C=CCOc1cccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000668544100 540684544 /nfs/dbraw/zinc/68/45/44/540684544.db2.gz ZYZAJQWZJXDFQC-WBVHZDCISA-N 0 3 300.402 2.352 20 30 DEEDHN CC[C@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000601819091 360161408 /nfs/dbraw/zinc/16/14/08/360161408.db2.gz SLONXPBDDOJSIS-AEFFLSMTSA-N 0 3 311.385 2.004 20 30 DEEDHN N#Cc1cccc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000602351705 360347732 /nfs/dbraw/zinc/34/77/32/360347732.db2.gz JBEJEAHBMZPTFF-HNNXBMFYSA-N 0 3 306.369 2.414 20 30 DEEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1ccccc1 ZINC000602509112 360410260 /nfs/dbraw/zinc/41/02/60/360410260.db2.gz GLXXZPWAADERJQ-JKSUJKDBSA-N 0 3 318.417 2.115 20 30 DEEDHN N#Cc1cccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)n1 ZINC000602635985 360470025 /nfs/dbraw/zinc/47/00/25/360470025.db2.gz GTMBAEQJKPHUBU-MSOLQXFVSA-N 0 3 311.360 2.348 20 30 DEEDHN N#Cc1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)n1 ZINC000602635986 360470461 /nfs/dbraw/zinc/47/04/61/360470461.db2.gz GTMBAEQJKPHUBU-QZTJIDSGSA-N 0 3 311.360 2.348 20 30 DEEDHN CCOC(=O)c1nnc(C2CC[NH+](C[C@@H](C)CCC#N)CC2)[n-]1 ZINC000602638526 360470993 /nfs/dbraw/zinc/47/09/93/360470993.db2.gz VBIKVSSRYZRXNE-LBPRGKRZSA-N 0 3 319.409 2.101 20 30 DEEDHN CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@@H](C)CCC#N)CC2)n1 ZINC000602638526 360470999 /nfs/dbraw/zinc/47/09/99/360470999.db2.gz VBIKVSSRYZRXNE-LBPRGKRZSA-N 0 3 319.409 2.101 20 30 DEEDHN C=C[C@](C)(O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000668847368 540741907 /nfs/dbraw/zinc/74/19/07/540741907.db2.gz GGVMGHCEXUNNCG-HNNXBMFYSA-N 0 3 312.797 2.156 20 30 DEEDHN N#Cc1cccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1F ZINC000602893367 360613943 /nfs/dbraw/zinc/61/39/43/360613943.db2.gz UZWOHISDBHRXSJ-WBVHZDCISA-N 0 3 318.392 2.497 20 30 DEEDHN CC[C@@]1(O)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000602982389 360653609 /nfs/dbraw/zinc/65/36/09/360653609.db2.gz RWEQVLSLUDDBNG-QGZVFWFLSA-N 0 3 304.390 2.183 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)C1 ZINC000442855007 238086238 /nfs/dbraw/zinc/08/62/38/238086238.db2.gz PGZHNMBXMBXFCD-XBFCOCLRSA-N 0 3 305.809 2.266 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(CCSCC2)CC1 ZINC000602949283 360639315 /nfs/dbraw/zinc/63/93/15/360639315.db2.gz WSFKDCRCQGWLIV-AWEZNQCLSA-N 0 3 309.479 2.356 20 30 DEEDHN COCc1cc(C#N)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000603319659 360790587 /nfs/dbraw/zinc/79/05/87/360790587.db2.gz QSGUJNWTIOUYME-QGZVFWFLSA-N 0 3 315.417 2.370 20 30 DEEDHN CN1CC[C@@H]2CCN(c3cc(C#N)c(Br)cn3)[C@@H]2C1 ZINC000603333965 360795930 /nfs/dbraw/zinc/79/59/30/360795930.db2.gz IKKDMSHJUXWEAM-ZWNOBZJWSA-N 0 3 321.222 2.246 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000669578107 540867646 /nfs/dbraw/zinc/86/76/46/540867646.db2.gz FRGIXUGQLPJARN-RDJZCZTQSA-N 0 3 315.417 2.070 20 30 DEEDHN C=C(C)[C@H](CO)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000670092730 540915619 /nfs/dbraw/zinc/91/56/19/540915619.db2.gz NHIDZUJGZBKTOM-QYZOEREBSA-N 0 3 316.445 2.500 20 30 DEEDHN C=CCCOCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000671293495 540961192 /nfs/dbraw/zinc/96/11/92/540961192.db2.gz RBEJWIMWULLENM-MRXNPFEDSA-N 0 3 306.406 2.007 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292805078 223253402 /nfs/dbraw/zinc/25/34/02/223253402.db2.gz BVIRLJZBEWEWES-QGZVFWFLSA-N 0 3 314.389 2.126 20 30 DEEDHN N#CCn1c(C(=O)N[C@@H]2CCN(C3CC3)C2)cc2ccccc21 ZINC000609201794 361289679 /nfs/dbraw/zinc/28/96/79/361289679.db2.gz ZIJYXFNNOMCSLQ-CQSZACIVSA-N 0 3 308.385 2.131 20 30 DEEDHN CC1CCN(C[C@H](O)CNc2ncc(C#N)cc2Cl)CC1 ZINC000609631232 361330820 /nfs/dbraw/zinc/33/08/20/361330820.db2.gz RMWLKSZJOPILKC-CYBMUJFWSA-N 0 3 308.813 2.111 20 30 DEEDHN CC(C#N)C(=O)N1CCOc2c(Br)cccc2C1 ZINC000619420630 363788512 /nfs/dbraw/zinc/78/85/12/363788512.db2.gz OAYGFPNWRUGXKD-SECBINFHSA-N 0 3 309.163 2.330 20 30 DEEDHN C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610707739 361449694 /nfs/dbraw/zinc/44/96/94/361449694.db2.gz IJKHATITHGWTFV-DCGLDWPTSA-N 0 3 312.417 2.401 20 30 DEEDHN CN1CCC(Nc2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC000610908690 361491720 /nfs/dbraw/zinc/49/17/20/361491720.db2.gz CQKBGGJDCADUOY-UHFFFAOYSA-N 0 3 302.328 2.313 20 30 DEEDHN N#Cc1cccc(C2(NC(=O)N[C@H]3CCN(CC4CC4)C3)CC2)c1 ZINC000610985111 361503419 /nfs/dbraw/zinc/50/34/19/361503419.db2.gz KCHHCKLBGFUCAE-KRWDZBQOSA-N 0 3 324.428 2.331 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000610947108 361496278 /nfs/dbraw/zinc/49/62/78/361496278.db2.gz RVFBYXWYJDJDMI-PXAZEXFGSA-N 0 3 315.392 2.434 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000611205262 361549133 /nfs/dbraw/zinc/54/91/33/361549133.db2.gz RGELPCBZAXIALT-DOTOQJQBSA-N 0 3 313.401 2.022 20 30 DEEDHN COC[C@H](NC1CCN(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000611392635 361589016 /nfs/dbraw/zinc/58/90/16/361589016.db2.gz ADUUXLIBGPHZLU-INIZCTEOSA-N 0 3 309.360 2.230 20 30 DEEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc(Br)cn1 ZINC000619465638 363804787 /nfs/dbraw/zinc/80/47/87/363804787.db2.gz UXTSVAUTUSUMKD-NSHDSACASA-N 0 3 323.238 2.483 20 30 DEEDHN C=C[C@](C)(O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000612045302 361729817 /nfs/dbraw/zinc/72/98/17/361729817.db2.gz RQSMSWIEYCKDIR-LESCRADOSA-N 0 3 302.418 2.093 20 30 DEEDHN C=CCC[C@H](O)CN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000675488802 541345821 /nfs/dbraw/zinc/34/58/21/541345821.db2.gz YVSSQDGHHZEDOW-KRWDZBQOSA-N 0 3 302.418 2.338 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(OC)ccc2F)CC1 ZINC000621421093 364395912 /nfs/dbraw/zinc/39/59/12/364395912.db2.gz ARKWQCKGTANNOZ-UHFFFAOYSA-N 0 3 321.396 2.284 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)Cc1c(C)n[nH]c1C)C(C)C ZINC001422133914 1172330263 /nfs/dbraw/zinc/33/02/63/1172330263.db2.gz RHOMWCXJXGWSTB-AWEZNQCLSA-N 0 3 312.845 2.052 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC(=O)C2CCCC2)cc1 ZINC000628991927 367039734 /nfs/dbraw/zinc/03/97/34/367039734.db2.gz RFLINNNFCUQVSH-INIZCTEOSA-N 0 3 309.369 2.116 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)c1cnn(CCN(C)C)c1 ZINC000630638643 367769447 /nfs/dbraw/zinc/76/94/47/367769447.db2.gz VFIYMIQIHMUYKU-UHFFFAOYSA-N 0 3 318.446 2.335 20 30 DEEDHN C=CCN(c1ccccc1)S(=O)(=O)CCCN1CCCC1 ZINC000631647941 368326076 /nfs/dbraw/zinc/32/60/76/368326076.db2.gz KOGMVAKFYWPFCI-UHFFFAOYSA-N 0 3 308.447 2.495 20 30 DEEDHN CO[C@H]1C[C@@H](NCC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000451492537 243030045 /nfs/dbraw/zinc/03/00/45/243030045.db2.gz JOZAMBDLTDAKCT-CVEARBPZSA-N 0 3 315.417 2.336 20 30 DEEDHN C=CC[C@@H](C(=O)NCCN(C)CCCOC)c1ccccc1 ZINC000275143814 212147445 /nfs/dbraw/zinc/14/74/45/212147445.db2.gz MGTUPJYTTTYNEF-QGZVFWFLSA-N 0 3 304.434 2.431 20 30 DEEDHN CCS(=O)(=O)N(C)C1CCN(CC(C)(C)CCC#N)CC1 ZINC000093321209 193231138 /nfs/dbraw/zinc/23/11/38/193231138.db2.gz GFXFVVVGMMQKJC-UHFFFAOYSA-N 0 3 315.483 2.062 20 30 DEEDHN C=CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(C)C)CC1 ZINC000453414420 245126703 /nfs/dbraw/zinc/12/67/03/245126703.db2.gz NFQDVUMKUWDDGB-OAHLLOKOSA-N 0 3 319.453 2.236 20 30 DEEDHN Cn1cc(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1C#N ZINC000453601601 245213205 /nfs/dbraw/zinc/21/32/05/245213205.db2.gz FEOVZQINXDRREJ-KRWDZBQOSA-N 0 3 303.406 2.450 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000679323560 541838820 /nfs/dbraw/zinc/83/88/20/541838820.db2.gz CCEPHVDSDNHJPE-LBPRGKRZSA-N 0 3 303.328 2.476 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000266365331 205294575 /nfs/dbraw/zinc/29/45/75/205294575.db2.gz BCOUPDBBKIBBCK-AWEZNQCLSA-N 0 3 312.373 2.045 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](CC)c1ccc(Cl)cc1 ZINC000024253544 182377871 /nfs/dbraw/zinc/37/78/71/182377871.db2.gz RXZYVXVFHUMBEC-ZDUSSCGKSA-N 0 3 309.797 2.393 20 30 DEEDHN C[C@@H](CNC(=O)CNc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000155354465 291604172 /nfs/dbraw/zinc/60/41/72/291604172.db2.gz RUFPKADAOWYBSE-HNNXBMFYSA-N 0 3 314.433 2.207 20 30 DEEDHN C[C@@H](Cc1cnn(C)c1)NC(=O)C(C#N)CCc1ccccc1 ZINC000456439671 247192209 /nfs/dbraw/zinc/19/22/09/247192209.db2.gz QIRMGTGEWVDAFT-YOEHRIQHSA-N 0 3 310.401 2.240 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(OCC)C1)C(C)C ZINC000457763016 248001351 /nfs/dbraw/zinc/00/13/51/248001351.db2.gz YVLLUDVTPUOABQ-INIZCTEOSA-N 0 3 309.454 2.115 20 30 DEEDHN CC(C)O[C@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000457879969 248056249 /nfs/dbraw/zinc/05/62/49/248056249.db2.gz YZYDRHNBGDQGMV-YESZJQIVSA-N 0 3 311.385 2.313 20 30 DEEDHN C=CCNC(=O)CN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000681485398 542154686 /nfs/dbraw/zinc/15/46/86/542154686.db2.gz HKKPIQOVIMHLST-HNNXBMFYSA-N 0 3 312.417 2.051 20 30 DEEDHN C#CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(CC)CC ZINC000274124555 211377253 /nfs/dbraw/zinc/37/72/53/211377253.db2.gz HGCFEHUHQNUJCE-MRXNPFEDSA-N 0 3 315.417 2.109 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)OC(C)(C)C)C(C)C ZINC000274121235 211374573 /nfs/dbraw/zinc/37/45/73/211374573.db2.gz YVCHTUSXKBWSIJ-AWEZNQCLSA-N 0 3 310.438 2.143 20 30 DEEDHN CC(C)N(C)CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104488453 194011089 /nfs/dbraw/zinc/01/10/89/194011089.db2.gz QTBIITFQXBWWLF-UHFFFAOYSA-N 0 3 315.417 2.268 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(C)C[C@H]2C(C)C)CC1 ZINC000159251822 197339873 /nfs/dbraw/zinc/33/98/73/197339873.db2.gz XQXCTBTXZBSGCW-KRWDZBQOSA-N 0 3 322.497 2.009 20 30 DEEDHN CC(C)(O)CN(Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000540351047 285115660 /nfs/dbraw/zinc/11/56/60/285115660.db2.gz WXBPBURRDDMOGF-UHFFFAOYSA-N 0 3 306.381 2.449 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000428057760 533118380 /nfs/dbraw/zinc/11/83/80/533118380.db2.gz DKPVCZRBISDMJM-CMPLNLGQSA-N 0 3 322.206 2.304 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000265216442 533134972 /nfs/dbraw/zinc/13/49/72/533134972.db2.gz WHCCSWSRYJOOTA-DOTOQJQBSA-N 0 3 314.433 2.452 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000155172964 197028959 /nfs/dbraw/zinc/02/89/59/197028959.db2.gz LUVXRUBTMNFTPU-HNNXBMFYSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CC1 ZINC000120886105 195258501 /nfs/dbraw/zinc/25/85/01/195258501.db2.gz ROEWFJBQEVGODO-CEXWTWQISA-N 0 3 308.425 2.176 20 30 DEEDHN N#Cc1cccnc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000355719157 133043987 /nfs/dbraw/zinc/04/39/87/133043987.db2.gz IZSYMGYAIVZWDX-GOSISDBHSA-N 0 3 308.385 2.002 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(F)c1C#N ZINC000376396595 133292715 /nfs/dbraw/zinc/29/27/15/133292715.db2.gz PAPJXIUCKZWYHF-QWHCGFSZSA-N 0 3 301.365 2.396 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000376484682 133297012 /nfs/dbraw/zinc/29/70/12/133297012.db2.gz OHSLUPLACQXKNI-UHFFFAOYSA-N 0 3 323.400 2.490 20 30 DEEDHN C[C@@](CO)(NCc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000563154278 292034964 /nfs/dbraw/zinc/03/49/64/292034964.db2.gz JVBNPTWJJCZVJP-KRWDZBQOSA-N 0 3 313.405 2.022 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1F ZINC000563803687 292073843 /nfs/dbraw/zinc/07/38/43/292073843.db2.gz PEQUUXRYFZRCOV-DOTOQJQBSA-N 0 3 318.392 2.355 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)c1ncc2c(c1C#N)CCC2 ZINC000564794316 292110793 /nfs/dbraw/zinc/11/07/93/292110793.db2.gz GQJGLGZEMFTSAZ-UHFFFAOYSA-N 0 3 321.428 2.405 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000248395590 145152541 /nfs/dbraw/zinc/15/25/41/145152541.db2.gz OXESKLVKDAUONA-CXAGYDPISA-N 0 3 308.385 2.137 20 30 DEEDHN N#Cc1ccc(CNCCn2cc(Br)cn2)cc1 ZINC000310958439 145353210 /nfs/dbraw/zinc/35/32/10/145353210.db2.gz BIIZJAQAPMSXBT-UHFFFAOYSA-N 0 3 305.179 2.307 20 30 DEEDHN CN(CCN1CCCC1)c1ncc(Br)cc1C#N ZINC000310894747 145353465 /nfs/dbraw/zinc/35/34/65/145353465.db2.gz LQAGZSOSUCWQOC-UHFFFAOYSA-N 0 3 309.211 2.248 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@H]1CCC[C@H]1OC(F)F ZINC000348521135 146280897 /nfs/dbraw/zinc/28/08/97/146280897.db2.gz NLJWFWNMSMNCFN-VHSXEESVSA-N 0 3 315.345 2.308 20 30 DEEDHN CCCC[C@@H](CNCc1cc(C#N)ccc1OC)NC(C)=O ZINC001422695702 1172813299 /nfs/dbraw/zinc/81/32/99/1172813299.db2.gz ZCEAECSHIIHUAP-INIZCTEOSA-N 0 3 303.406 2.351 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC([C@H](C)O)CC1 ZINC000111695798 401721726 /nfs/dbraw/zinc/72/17/26/401721726.db2.gz JEBLPQWQJJBHBM-YJBOKZPZSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)NC[C@H]1CCCN1C ZINC000111841443 401725756 /nfs/dbraw/zinc/72/57/56/401725756.db2.gz OVBDSPSEBOOZNQ-OAHLLOKOSA-N 0 3 303.406 2.145 20 30 DEEDHN C=CC1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000111912085 401727764 /nfs/dbraw/zinc/72/77/64/401727764.db2.gz SANUFTGLLCKIDQ-UHFFFAOYSA-N 0 3 315.417 2.111 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](OC)C(C)(C)C)CC1 ZINC000074130193 401731120 /nfs/dbraw/zinc/73/11/20/401731120.db2.gz HKUJXTOYYPJEFG-HNNXBMFYSA-N 0 3 311.470 2.387 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(c3ccccc3F)CC2)CC1 ZINC000126835171 401710301 /nfs/dbraw/zinc/71/03/01/401710301.db2.gz CACVDUHKDSWKAY-UHFFFAOYSA-N 0 3 300.377 2.276 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)C[C@H]1CCCO1 ZINC000076745132 401799279 /nfs/dbraw/zinc/79/92/79/401799279.db2.gz QAFPFCUYFUWNEA-DLBZAZTESA-N 0 3 305.418 2.266 20 30 DEEDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000076068199 401780395 /nfs/dbraw/zinc/78/03/95/401780395.db2.gz PQBMMPKJISHIQD-FMKPAKJESA-N 0 3 309.479 2.401 20 30 DEEDHN CN(CCN1CCOCC1)Cc1ccccc1C(C)(C)C#N ZINC000135223089 401930404 /nfs/dbraw/zinc/93/04/04/401930404.db2.gz VBTJQEHNTPUHEO-UHFFFAOYSA-N 0 3 301.434 2.252 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000046380497 401969642 /nfs/dbraw/zinc/96/96/42/401969642.db2.gz OPFAPZXTMFNLAQ-HNNXBMFYSA-N 0 3 314.433 2.432 20 30 DEEDHN C[C@H](O)[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000089932932 401974605 /nfs/dbraw/zinc/97/46/05/401974605.db2.gz FQPYVIGPUPBWCQ-AAEUAGOBSA-N 0 3 307.419 2.041 20 30 DEEDHN N#CC1(C(=O)NCC2CCN(c3ccncc3)CC2)CCCC1 ZINC000093064032 402011176 /nfs/dbraw/zinc/01/11/76/402011176.db2.gz FTSYQBVGKQFYJC-UHFFFAOYSA-N 0 3 312.417 2.498 20 30 DEEDHN C[C@H](CO[C@H]1CCOC1)NCc1ccc(N(C)CCC#N)cc1 ZINC000151220883 402024158 /nfs/dbraw/zinc/02/41/58/402024158.db2.gz FSNVOQDVRVFBFG-QAPCUYQASA-N 0 3 317.433 2.320 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000150928737 402005294 /nfs/dbraw/zinc/00/52/94/402005294.db2.gz YTLDDSFJTPSGRF-RDJZCZTQSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCOc1ccc(CN(C)CCN2CCOCC2)cc1OC ZINC000092974830 402010329 /nfs/dbraw/zinc/01/03/29/402010329.db2.gz KLQSPJDWBLQKKO-UHFFFAOYSA-N 0 3 320.433 2.024 20 30 DEEDHN C=CCCOCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000122357326 402074651 /nfs/dbraw/zinc/07/46/51/402074651.db2.gz PRIIEZWUJUWXJX-INIZCTEOSA-N 0 3 309.454 2.239 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1cccc(C#N)c1 ZINC000056787155 402090320 /nfs/dbraw/zinc/09/03/20/402090320.db2.gz RQGJWSMKEBYNMR-HUUCEWRRSA-N 0 3 314.433 2.478 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000057169675 402092502 /nfs/dbraw/zinc/09/25/02/402092502.db2.gz QXXICKRSOPVDGU-UHFFFAOYSA-N 0 3 308.385 2.156 20 30 DEEDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(C#N)cc1 ZINC000122913779 402100858 /nfs/dbraw/zinc/10/08/58/402100858.db2.gz QFXHIZHSBAZIDE-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN C=C(C)CN1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000103472113 402190361 /nfs/dbraw/zinc/19/03/61/402190361.db2.gz NRESHHPJFSUEQI-UHFFFAOYSA-N 0 3 303.406 2.347 20 30 DEEDHN CN(CCCCC#N)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000102398126 402166554 /nfs/dbraw/zinc/16/65/54/402166554.db2.gz UOOANYPVAMFZJF-UHFFFAOYSA-N 0 3 324.446 2.485 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(O)CCCCC2)CC1 ZINC000106340784 402213432 /nfs/dbraw/zinc/21/34/32/402213432.db2.gz IJIDWVFZYUUTQW-UHFFFAOYSA-N 0 3 309.454 2.021 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CCCOC1 ZINC000107064481 402226130 /nfs/dbraw/zinc/22/61/30/402226130.db2.gz IHNZAEDIVLTYMH-HIFRSBDPSA-N 0 3 301.390 2.244 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cn2)N(C)C)cc1 ZINC000107572710 402235096 /nfs/dbraw/zinc/23/50/96/402235096.db2.gz ADPBZTXSLDOUCZ-KRWDZBQOSA-N 0 3 308.385 2.294 20 30 DEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)cn2)C1 ZINC000107567302 402235318 /nfs/dbraw/zinc/23/53/18/402235318.db2.gz FOOSVBKGGISYNV-CYBMUJFWSA-N 0 3 300.406 2.194 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(C3CCCC3)[nH]n2)CC1 ZINC000125772224 402249415 /nfs/dbraw/zinc/24/94/15/402249415.db2.gz DATXXPBJPYCVMH-UHFFFAOYSA-N 0 3 300.406 2.351 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)c1nccn1CC(F)(F)F ZINC000155503315 402259215 /nfs/dbraw/zinc/25/92/15/402259215.db2.gz DONJOIIQYLCGCS-GFCCVEGCSA-N 0 3 322.290 2.369 20 30 DEEDHN CN(C)CCN(C(=O)Nc1ccn(CCC#N)n1)C1CCCC1 ZINC000154352875 402207924 /nfs/dbraw/zinc/20/79/24/402207924.db2.gz SJXUSNHJCKWXCZ-UHFFFAOYSA-N 0 3 318.425 2.135 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC1CCN(CC)CC1 ZINC000125037710 402209697 /nfs/dbraw/zinc/20/96/97/402209697.db2.gz AXQPHZHXHDHOIW-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NCc3cncnc3)C2)c(F)c1 ZINC000109351821 402271395 /nfs/dbraw/zinc/27/13/95/402271395.db2.gz ANTKXWDJJPGCQQ-HNNXBMFYSA-N 0 3 311.364 2.246 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C#N)cc1 ZINC000176392669 402305424 /nfs/dbraw/zinc/30/54/24/402305424.db2.gz BMCLZHQUFRZQDB-SJORKVTESA-N 0 3 312.417 2.326 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000176879192 402345149 /nfs/dbraw/zinc/34/51/49/402345149.db2.gz CMBBRVDOLMHSJQ-IRXDYDNUSA-N 0 3 320.477 2.432 20 30 DEEDHN C[C@@]1(O)CCCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000230379034 402351364 /nfs/dbraw/zinc/35/13/64/402351364.db2.gz KFTKVPFBKPAXSQ-OAHLLOKOSA-N 0 3 307.419 2.185 20 30 DEEDHN COc1ccc(OC)c([C@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176945173 402352982 /nfs/dbraw/zinc/35/29/82/402352982.db2.gz GEALRVAMEPWERF-OAHLLOKOSA-N 0 3 318.398 2.460 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(F)c(F)c2)s1 ZINC000176964818 402354681 /nfs/dbraw/zinc/35/46/81/402354681.db2.gz MHPFCWIYRVGQDW-JTQLQIEISA-N 0 3 324.352 2.427 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(OC)c(O)c2)CC1 ZINC000185506793 402357974 /nfs/dbraw/zinc/35/79/74/402357974.db2.gz JUXHELMQKUZCBN-FNORWQNLSA-N 0 3 316.401 2.181 20 30 DEEDHN CCn1cc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000161719318 402397130 /nfs/dbraw/zinc/39/71/30/402397130.db2.gz ASZCOFIQVXOQMN-AWEZNQCLSA-N 0 3 324.432 2.489 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2c(C)noc2C)CC1 ZINC000161830670 402400737 /nfs/dbraw/zinc/40/07/37/402400737.db2.gz XSBKKQZMXJXMFB-OAHLLOKOSA-N 0 3 303.406 2.204 20 30 DEEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3C)C2)CC1 ZINC000186223799 402412505 /nfs/dbraw/zinc/41/25/05/402412505.db2.gz ZOQQRCZMRGQZOL-LJQANCHMSA-N 0 3 312.461 2.079 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000238135204 402439197 /nfs/dbraw/zinc/43/91/97/402439197.db2.gz KFAGTYDDGGCVHR-CQSZACIVSA-N 0 3 318.323 2.366 20 30 DEEDHN C#CCOCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000165453607 402476231 /nfs/dbraw/zinc/47/62/31/402476231.db2.gz WSIPZGSSHGJHHW-AEFFLSMTSA-N 0 3 312.413 2.169 20 30 DEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(C#N)c2)C1 ZINC000245953005 402500070 /nfs/dbraw/zinc/50/00/70/402500070.db2.gz LJGKKZWQQJBCMH-DLBZAZTESA-N 0 3 312.417 2.184 20 30 DEEDHN CN(C)CCN(C(=O)c1ccc(C#N)cn1)C1CCCCC1 ZINC000170965425 402545797 /nfs/dbraw/zinc/54/57/97/402545797.db2.gz ULAUTQMPGXISOC-UHFFFAOYSA-N 0 3 300.406 2.290 20 30 DEEDHN Cc1ncccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000170989454 402547643 /nfs/dbraw/zinc/54/76/43/402547643.db2.gz FNCIWTJHPYZSDT-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000190016203 402570818 /nfs/dbraw/zinc/57/08/18/402570818.db2.gz GPGSDTXWBNSZPN-WBVHZDCISA-N 0 3 306.381 2.353 20 30 DEEDHN C=CCC[C@H](O)CN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179563109 402594462 /nfs/dbraw/zinc/59/44/62/402594462.db2.gz OWSNJLVLHPRVAN-DLBZAZTESA-N 0 3 302.418 2.267 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)c(C#N)c1C ZINC000248562342 402595825 /nfs/dbraw/zinc/59/58/25/402595825.db2.gz CYHDEMOEIBGISC-UHIISALHSA-N 0 3 305.378 2.252 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000171708623 402612601 /nfs/dbraw/zinc/61/26/01/402612601.db2.gz LSNCUWGGMDHVTK-UHFFFAOYSA-N 0 3 309.360 2.414 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2cccc(F)c2)CC1 ZINC000171730388 402615484 /nfs/dbraw/zinc/61/54/84/402615484.db2.gz WSJLYNATVCMXSP-UHFFFAOYSA-N 0 3 306.381 2.361 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(O)cc2)CC1 ZINC000171738323 402616881 /nfs/dbraw/zinc/61/68/81/402616881.db2.gz OJJMSFOWLVTXER-UHFFFAOYSA-N 0 3 303.406 2.184 20 30 DEEDHN Cn1cc(CNCCOCC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000190888230 402629884 /nfs/dbraw/zinc/62/98/84/402629884.db2.gz PUPHUBAJHGIJMW-UHFFFAOYSA-N 0 3 320.343 2.330 20 30 DEEDHN Cc1ccsc1[C@@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180880234 402629281 /nfs/dbraw/zinc/62/92/81/402629281.db2.gz HVIZAULYWMGTAW-XGOYLDHDSA-N 0 3 305.403 2.234 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCCCO2)CC1 ZINC000181217996 402638160 /nfs/dbraw/zinc/63/81/60/402638160.db2.gz VUSOTHCHLZQZFN-MRXNPFEDSA-N 0 3 309.454 2.285 20 30 DEEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191293474 402658135 /nfs/dbraw/zinc/65/81/35/402658135.db2.gz TYYAMGWYAJMIOI-HOCLYGCPSA-N 0 3 316.449 2.414 20 30 DEEDHN CO[C@H](C)CON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000181604146 402651672 /nfs/dbraw/zinc/65/16/72/402651672.db2.gz HFSHDPVLOHWTRR-CQSZACIVSA-N 0 3 305.422 2.344 20 30 DEEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191268276 402655999 /nfs/dbraw/zinc/65/59/99/402655999.db2.gz VNSBMIBTCZUQNU-GOEBONIOSA-N 0 3 316.449 2.414 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(CCCn2ccnc2)CC1 ZINC000182614570 402704231 /nfs/dbraw/zinc/70/42/31/402704231.db2.gz DOVROWOICCNWHA-UHFFFAOYSA-N 0 3 313.380 2.106 20 30 DEEDHN COc1cc(NCCNCc2cc(C#N)n(C)c2)cc(OC)c1 ZINC000191465149 402672009 /nfs/dbraw/zinc/67/20/09/402672009.db2.gz XSFYYSXLZOQFLG-UHFFFAOYSA-N 0 3 314.389 2.116 20 30 DEEDHN Cn1cc(CNC[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000191522333 402675860 /nfs/dbraw/zinc/67/58/60/402675860.db2.gz HIEXSIXCOORWNB-OAHLLOKOSA-N 0 3 318.421 2.290 20 30 DEEDHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191537662 402676889 /nfs/dbraw/zinc/67/68/89/402676889.db2.gz OVHAVCGASPVEBJ-KRWDZBQOSA-N 0 3 323.444 2.246 20 30 DEEDHN CN1CCC[C@H](CNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000255663514 402693971 /nfs/dbraw/zinc/69/39/71/402693971.db2.gz YFKLUVQNWDEDNI-CXOKCQFOSA-N 0 3 313.401 2.060 20 30 DEEDHN Cc1c([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cnn1C ZINC000183311140 402755513 /nfs/dbraw/zinc/75/55/13/402755513.db2.gz MUIGUGCHJCCGTE-GFCCVEGCSA-N 0 3 311.389 2.280 20 30 DEEDHN C=CCN1CCC(NC(=O)c2nc3cccnc3s2)CC1 ZINC000193933338 402779302 /nfs/dbraw/zinc/77/93/02/402779302.db2.gz XOXNEDDCPBUWPP-UHFFFAOYSA-N 0 3 302.403 2.072 20 30 DEEDHN C#CCN1CCC(C(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000194053428 402782930 /nfs/dbraw/zinc/78/29/30/402782930.db2.gz MBTHAVZSJDCNGM-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COC(C)(C)C ZINC000182869287 402723225 /nfs/dbraw/zinc/72/32/25/402723225.db2.gz JWKXVTPZNJMPBQ-UHFFFAOYSA-N 0 3 317.433 2.264 20 30 DEEDHN C#CCSCCN[C@H](C)c1ccccc1OCC(=O)OC ZINC000183777159 402796851 /nfs/dbraw/zinc/79/68/51/402796851.db2.gz NVSSKGDJQCMWEP-CYBMUJFWSA-N 0 3 307.415 2.255 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN[C@H](CO)c1ccccc1 ZINC000183628447 402783241 /nfs/dbraw/zinc/78/32/41/402783241.db2.gz PXICWPHFEZHFAD-CQSZACIVSA-N 0 3 315.398 2.272 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C12CCCC2 ZINC000347707571 286278202 /nfs/dbraw/zinc/27/82/02/286278202.db2.gz QJDPDOUNEAVUNG-INMHGKMJSA-N 0 3 319.449 2.122 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOc2cccc(F)c2)CC1 ZINC000264437031 402878508 /nfs/dbraw/zinc/87/85/08/402878508.db2.gz VYRXJMJYPLLGQY-UHFFFAOYSA-N 0 3 321.396 2.154 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000278854175 402878548 /nfs/dbraw/zinc/87/85/48/402878548.db2.gz LQQGGJUMSHEHDI-PBHICJAKSA-N 0 3 322.474 2.403 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(F)cc3C#N)[C@H]2C1 ZINC000272509609 402945937 /nfs/dbraw/zinc/94/59/37/402945937.db2.gz WVLZCEOPFTWSBF-ABAIWWIYSA-N 0 3 302.353 2.255 20 30 DEEDHN COCC[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272234750 402912776 /nfs/dbraw/zinc/91/27/76/402912776.db2.gz RXJYMWQCRWRLFP-CZUORRHYSA-N 0 3 301.390 2.068 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC[C@H]2CCCCO2)cc1 ZINC000280113956 402967318 /nfs/dbraw/zinc/96/73/18/402967318.db2.gz UCGJWPRSACUCRX-IAGOWNOFSA-N 0 3 311.385 2.316 20 30 DEEDHN COC[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272305308 402921305 /nfs/dbraw/zinc/92/13/05/402921305.db2.gz QKXMSGSBJVDWQQ-OAHLLOKOSA-N 0 3 310.401 2.427 20 30 DEEDHN CCC1(O)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280374600 402993379 /nfs/dbraw/zinc/99/33/79/402993379.db2.gz MGNBNKRVRBCBRL-INIZCTEOSA-N 0 3 311.385 2.004 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(O)CCCCC2)cc1 ZINC000280547693 403011644 /nfs/dbraw/zinc/01/16/44/403011644.db2.gz ZTROEVSVDDGLHS-MRXNPFEDSA-N 0 3 311.385 2.052 20 30 DEEDHN Cc1noc(C)c1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280567378 403013419 /nfs/dbraw/zinc/01/34/19/403013419.db2.gz VJKRPPJWJFHQOK-INIZCTEOSA-N 0 3 322.368 2.204 20 30 DEEDHN CSC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280588628 403016332 /nfs/dbraw/zinc/01/63/32/403016332.db2.gz WLIHXTYSTOPYNP-AWEZNQCLSA-N 0 3 301.415 2.498 20 30 DEEDHN Cc1cc(C)c(C#N)c(N2CCC(CN3CCOCC3)CC2)n1 ZINC000267266012 403030870 /nfs/dbraw/zinc/03/08/70/403030870.db2.gz YCOCSXNVLCODRF-UHFFFAOYSA-N 0 3 314.433 2.119 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H](C)CCO)C(C)C ZINC000266715371 402985647 /nfs/dbraw/zinc/98/56/47/402985647.db2.gz ZXKXOJWIOLEWOH-CVEARBPZSA-N 0 3 311.470 2.003 20 30 DEEDHN CS[C@H]1CN(C(=O)c2cc(C#N)oc2C)C[C@H]1N1CCCC1 ZINC000280780354 403036049 /nfs/dbraw/zinc/03/60/49/403036049.db2.gz BCRZMEYIURZQHQ-CABCVRRESA-N 0 3 319.430 2.112 20 30 DEEDHN C[C@H]1CSCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281090761 403058269 /nfs/dbraw/zinc/05/82/69/403058269.db2.gz BWVRZXZBMTYFDS-CJNGLKHVSA-N 0 3 313.426 2.452 20 30 DEEDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)N(C)CCC#N)C1(CC)CC ZINC000247202580 286290892 /nfs/dbraw/zinc/29/08/92/286290892.db2.gz XFOFBMMCDMNYTF-RBSFLKMASA-N 0 3 309.454 2.320 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)[C@@]12CCCO2 ZINC000281633829 403076948 /nfs/dbraw/zinc/07/69/48/403076948.db2.gz IKVCTOOWLBHKQF-KURKYZTESA-N 0 3 316.401 2.383 20 30 DEEDHN C=C(C)CN1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268497095 403088733 /nfs/dbraw/zinc/08/87/33/403088733.db2.gz PFSACXWAXAGUQY-UHFFFAOYSA-N 0 3 301.350 2.314 20 30 DEEDHN C=CCN(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000275177419 403100334 /nfs/dbraw/zinc/10/03/34/403100334.db2.gz COABJSRHFQYIEW-UHFFFAOYSA-N 0 3 302.422 2.478 20 30 DEEDHN CN(CCC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268627602 403100577 /nfs/dbraw/zinc/10/05/77/403100577.db2.gz BFFZZLUFSXVKHL-OAHLLOKOSA-N 0 3 304.390 2.255 20 30 DEEDHN C=CCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000268617937 403099277 /nfs/dbraw/zinc/09/92/77/403099277.db2.gz HSLISIRMGIZSBL-OAHLLOKOSA-N 0 3 318.417 2.370 20 30 DEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000276379310 403169110 /nfs/dbraw/zinc/16/91/10/403169110.db2.gz GBFLYNCOACROJD-XJKSGUPXSA-N 0 3 302.374 2.220 20 30 DEEDHN COc1cc(CN2CCC[C@@H](Cn3ccnn3)C2)ccc1C#N ZINC000282190017 403130793 /nfs/dbraw/zinc/13/07/93/403130793.db2.gz GDTMXKURIJCHLN-OAHLLOKOSA-N 0 3 311.389 2.071 20 30 DEEDHN C=CCOc1ccc(CN(CCO)C2CCOCC2)cc1OC ZINC000276050949 403141992 /nfs/dbraw/zinc/14/19/92/403141992.db2.gz UKZSCBMNJGPWMQ-UHFFFAOYSA-N 0 3 321.417 2.233 20 30 DEEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(CC2CC2)CC1 ZINC000282338305 403144659 /nfs/dbraw/zinc/14/46/59/403144659.db2.gz RKHLCPIQORUPLJ-UHFFFAOYSA-N 0 3 324.432 2.058 20 30 DEEDHN C=CCS(=O)(=O)CCNCCCCCOc1ccccc1 ZINC000276190560 403152513 /nfs/dbraw/zinc/15/25/13/403152513.db2.gz JGNOBYJBLULXDK-UHFFFAOYSA-N 0 3 311.447 2.426 20 30 DEEDHN N#Cc1ncn(CCNCc2cccc(OC3CCCC3)c2)n1 ZINC000285459792 403301814 /nfs/dbraw/zinc/30/18/14/403301814.db2.gz JRGWLXAQTARCLN-UHFFFAOYSA-N 0 3 311.389 2.261 20 30 DEEDHN Cc1nc(CCN(C)Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000271208006 403279297 /nfs/dbraw/zinc/27/92/97/403279297.db2.gz ZGBCEOPUZMCRFK-UHFFFAOYSA-N 0 3 313.405 2.402 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000285269690 403280224 /nfs/dbraw/zinc/28/02/24/403280224.db2.gz JOJIPLXDIALAKD-KRWDZBQOSA-N 0 3 303.406 2.183 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)[C@H](C)CN1CCOCC1 ZINC000298281391 403349108 /nfs/dbraw/zinc/34/91/08/403349108.db2.gz XEFCDDLOIFVMPC-MRXNPFEDSA-N 0 3 304.434 2.404 20 30 DEEDHN C[C@H]1CN(CCC(=O)N(C)CCC#N)Cc2ccccc2O1 ZINC000292507793 403366090 /nfs/dbraw/zinc/36/60/90/403366090.db2.gz VGATXIUCCIIZEI-AWEZNQCLSA-N 0 3 301.390 2.032 20 30 DEEDHN COC[C@@H]1CCCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000342746224 403332116 /nfs/dbraw/zinc/33/21/16/403332116.db2.gz FGQHZWWRVAKPKZ-ZMSDIMECSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H](c1ccccc1)[C@@H](NCc1ccc(OCC#N)cc1)C(N)=O ZINC000292242828 403332525 /nfs/dbraw/zinc/33/25/25/403332525.db2.gz QIMAIWKBYAKSFO-KBXCAEBGSA-N 0 3 323.396 2.336 20 30 DEEDHN CO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000331264438 403365220 /nfs/dbraw/zinc/36/52/20/403365220.db2.gz GPMNMQGQSBEWHG-DGCLKSJQSA-N 0 3 307.419 2.448 20 30 DEEDHN C=CCN(CC=C)C(=O)CN(C)CCCN(C)Cc1ccco1 ZINC000285732928 403368245 /nfs/dbraw/zinc/36/82/45/403368245.db2.gz QTVRABZJMDIDPH-UHFFFAOYSA-N 0 3 319.449 2.234 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000293043643 403387923 /nfs/dbraw/zinc/38/79/23/403387923.db2.gz KATXYZZYAXWHTH-UHFFFAOYSA-N 0 3 304.438 2.478 20 30 DEEDHN CO[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000293165435 403405678 /nfs/dbraw/zinc/40/56/78/403405678.db2.gz VXLALURVYDXZTK-KRWDZBQOSA-N 0 3 310.401 2.473 20 30 DEEDHN CCOC[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000298538441 403407506 /nfs/dbraw/zinc/40/75/06/403407506.db2.gz MWNCTQAGKOPZKF-KBPBESRZSA-N 0 3 321.446 2.376 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000345811524 403493324 /nfs/dbraw/zinc/49/33/24/403493324.db2.gz HFZAHKZEWJRVKL-SOUVJXGZSA-N 0 3 315.417 2.072 20 30 DEEDHN COc1ccc([C@@H](CNC(=O)C(C)C#N)N2CCCCC2)cc1 ZINC000345673932 403431536 /nfs/dbraw/zinc/43/15/36/403431536.db2.gz XEEGIJYPISSTRY-WMLDXEAASA-N 0 3 315.417 2.498 20 30 DEEDHN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C(C)C#N)c(C)c1 ZINC000345900000 403525556 /nfs/dbraw/zinc/52/55/56/403525556.db2.gz NFOGKQREAVMMKR-TZMCWYRMSA-N 0 3 317.414 2.303 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)CC1 ZINC000286416209 403521565 /nfs/dbraw/zinc/52/15/65/403521565.db2.gz QQTIWEXHQPLKNT-GFCCVEGCSA-N 0 3 304.365 2.163 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)s1 ZINC000293864339 403585475 /nfs/dbraw/zinc/58/54/75/403585475.db2.gz BKZDIGANVYNZRR-UHFFFAOYSA-N 0 3 315.236 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccccc1Br ZINC000293877579 403588367 /nfs/dbraw/zinc/58/83/67/403588367.db2.gz CJPSUIRIFOFNEP-UHFFFAOYSA-N 0 3 309.207 2.134 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)c1cccc(OC)c1 ZINC000293916874 403598392 /nfs/dbraw/zinc/59/83/92/403598392.db2.gz GMNVTOQFLWUZQC-FYWRMAATSA-N 0 3 300.402 2.170 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000347094126 403615175 /nfs/dbraw/zinc/61/51/75/403615175.db2.gz VTRZNRXIMNACJZ-GHMZBOCLSA-N 0 3 309.316 2.143 20 30 DEEDHN CC(C#N)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000347054748 403612919 /nfs/dbraw/zinc/61/29/19/403612919.db2.gz AAQBPMYRPBGEIC-CYBMUJFWSA-N 0 3 321.808 2.023 20 30 DEEDHN CCc1nc(CN2CCC(CNC(=O)C(C)C#N)CC2)cs1 ZINC000347120162 403616624 /nfs/dbraw/zinc/61/66/24/403616624.db2.gz XIDFYDXDGBDJMQ-LBPRGKRZSA-N 0 3 320.462 2.193 20 30 DEEDHN COc1cc(CN[C@@H]2CCN(CC(F)(F)F)C2)ccc1C#N ZINC000567034140 292284132 /nfs/dbraw/zinc/28/41/32/292284132.db2.gz SLEXWHLKIREOKL-CYBMUJFWSA-N 0 3 313.323 2.293 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(F)c(Cl)cc1F ZINC000294093160 403645649 /nfs/dbraw/zinc/64/56/49/403645649.db2.gz XSDYQXHUVOWIEV-UHFFFAOYSA-N 0 3 300.736 2.303 20 30 DEEDHN CCN(CCN1CCCCCC1)CC(=O)N(CC)C[C@H](C)C#N ZINC000347299912 403654289 /nfs/dbraw/zinc/65/42/89/403654289.db2.gz ZCTAGLZFSXWJTE-QGZVFWFLSA-N 0 3 322.497 2.192 20 30 DEEDHN COc1cc(C#N)ccc1CN1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000343635792 403671806 /nfs/dbraw/zinc/67/18/06/403671806.db2.gz ALDCVCSLXBQZML-GDBMZVCRSA-N 0 3 305.447 2.044 20 30 DEEDHN COc1cc(CNC2(C(=O)N(C)C)CCCCC2)ccc1C#N ZINC000295109872 403763617 /nfs/dbraw/zinc/76/36/17/403763617.db2.gz VZFDVUFFTXKJCK-UHFFFAOYSA-N 0 3 315.417 2.448 20 30 DEEDHN CCCCO[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C1(C)C ZINC000347686233 403805218 /nfs/dbraw/zinc/80/52/18/403805218.db2.gz HNAOTDDIZCKMNS-DAYGRLMNSA-N 0 3 321.465 2.368 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000295196350 403792510 /nfs/dbraw/zinc/79/25/10/403792510.db2.gz VMSGXQCSXSINDB-RDTXWAMCSA-N 0 3 314.429 2.393 20 30 DEEDHN N#Cc1ccccc1OCCN[C@@]1(CO)CCc2ccccc21 ZINC000305238850 403890669 /nfs/dbraw/zinc/89/06/69/403890669.db2.gz PFMHNWYEOQUSCX-LJQANCHMSA-N 0 3 308.381 2.361 20 30 DEEDHN C#C[C@H](C)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000289324130 403911746 /nfs/dbraw/zinc/91/17/46/403911746.db2.gz GAFRQQUIQGNSHQ-AWEZNQCLSA-N 0 3 322.836 2.162 20 30 DEEDHN C=CCSc1ccccc1C(=O)NCCOCCN(C)C ZINC000362410318 403953094 /nfs/dbraw/zinc/95/30/94/403953094.db2.gz JQSYNUFWLNTQPX-UHFFFAOYSA-N 0 3 308.447 2.273 20 30 DEEDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000362713116 403983443 /nfs/dbraw/zinc/98/34/43/403983443.db2.gz SGVXZBLKYNQJAS-XOKHGSTOSA-N 0 3 304.390 2.029 20 30 DEEDHN CCOC[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1C#N ZINC000313449774 403986591 /nfs/dbraw/zinc/98/65/91/403986591.db2.gz XTEYMDIIFZABAK-DLBZAZTESA-N 0 3 318.417 2.189 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1CN(C)C ZINC000362798848 403989624 /nfs/dbraw/zinc/98/96/24/403989624.db2.gz SSYWABRODJLAHB-DLBZAZTESA-N 0 3 302.418 2.346 20 30 DEEDHN C=CCCCCCN(C)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000351896020 403990371 /nfs/dbraw/zinc/99/03/71/403990371.db2.gz DIJSXCGWTUQJMW-UHFFFAOYSA-N 0 3 310.438 2.076 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344239011 404002164 /nfs/dbraw/zinc/00/21/64/404002164.db2.gz KVTVLOBRRKOLMY-UHFFFAOYSA-N 0 3 307.325 2.114 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cncc(C(F)(F)F)c2)CC1 ZINC000290003631 404015379 /nfs/dbraw/zinc/01/53/79/404015379.db2.gz VJAHRIGCESRIIS-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)CSCC#N)N(C)C ZINC000344273855 404023284 /nfs/dbraw/zinc/02/32/84/404023284.db2.gz VAICJOZBKSOEFQ-XJKSGUPXSA-N 0 3 305.447 2.359 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000337438008 404025109 /nfs/dbraw/zinc/02/51/09/404025109.db2.gz IQNZXEKNJMTRKF-CJNGLKHVSA-N 0 3 308.385 2.452 20 30 DEEDHN CC[C@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000295961061 404029331 /nfs/dbraw/zinc/02/93/31/404029331.db2.gz MZYNPVCERCYKRH-AWEZNQCLSA-N 0 3 324.432 2.274 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCc3ncsc3C2)cc1 ZINC000348510994 404074476 /nfs/dbraw/zinc/07/44/76/404074476.db2.gz RGYOGKTZUILKHN-CQSZACIVSA-N 0 3 322.393 2.282 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2nccc(C#N)n2)C1 ZINC000323941597 404097027 /nfs/dbraw/zinc/09/70/27/404097027.db2.gz UDXBQPSNCPXKFR-HNNXBMFYSA-N 0 3 307.401 2.307 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCCC2(CCCCC2)C1 ZINC000348138293 404044504 /nfs/dbraw/zinc/04/45/04/404044504.db2.gz IBIBHQQFSLYNPO-CQSZACIVSA-N 0 3 307.438 2.433 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000296003664 404048056 /nfs/dbraw/zinc/04/80/56/404048056.db2.gz MFJDCSMFMUGDBH-WFASDCNBSA-N 0 3 308.809 2.097 20 30 DEEDHN CO[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296046232 404066153 /nfs/dbraw/zinc/06/61/53/404066153.db2.gz OHBJMKFBTPSJCT-DOTOQJQBSA-N 0 3 318.417 2.045 20 30 DEEDHN COC(=O)[C@]1(C)CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000412094374 404128079 /nfs/dbraw/zinc/12/80/79/404128079.db2.gz DWROJBQKPNGZJC-QGZVFWFLSA-N 0 3 302.374 2.212 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCOCC2)[C@H]1C ZINC000349231361 404137587 /nfs/dbraw/zinc/13/75/87/404137587.db2.gz ALUBFMKIHQCUAI-JKSUJKDBSA-N 0 3 306.450 2.467 20 30 DEEDHN C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328812657 404156463 /nfs/dbraw/zinc/15/64/63/404156463.db2.gz NBQRJZMCMFEBGN-SLBVQIDZSA-N 0 3 310.438 2.136 20 30 DEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296210769 404146155 /nfs/dbraw/zinc/14/61/55/404146155.db2.gz MLVNEDDPBXSSND-OIISXLGYSA-N 0 3 311.385 2.044 20 30 DEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000328838719 404160443 /nfs/dbraw/zinc/16/04/43/404160443.db2.gz YIXLSIFDXWFKGW-NUEKZKHPSA-N 0 3 321.465 2.464 20 30 DEEDHN CCc1noc(C)c1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000328872731 404164660 /nfs/dbraw/zinc/16/46/60/404164660.db2.gz YPSOPLLFNLNSKG-AWEZNQCLSA-N 0 3 312.439 2.309 20 30 DEEDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000328916010 404172692 /nfs/dbraw/zinc/17/26/92/404172692.db2.gz ADOIFOHDOJZTPL-BZUAXINKSA-N 0 3 323.481 2.222 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000296291787 404180728 /nfs/dbraw/zinc/18/07/28/404180728.db2.gz CENJTFMNKXORNQ-QGZVFWFLSA-N 0 3 316.449 2.076 20 30 DEEDHN CC1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CCOCC1 ZINC000329130532 404240133 /nfs/dbraw/zinc/24/01/33/404240133.db2.gz OLIBBLAJPIABJP-HNNXBMFYSA-N 0 3 310.438 2.403 20 30 DEEDHN CN1CC=C(CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000329174168 404254308 /nfs/dbraw/zinc/25/43/08/404254308.db2.gz AXMQSTDSWLSTHT-HUUCEWRRSA-N 0 3 309.454 2.346 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ncc(C#N)cc1Cl ZINC000344620928 404268106 /nfs/dbraw/zinc/26/81/06/404268106.db2.gz RICKVKZSUDERQA-CYBMUJFWSA-N 0 3 320.824 2.457 20 30 DEEDHN CN1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCN2C)CCC1 ZINC000329094344 404227175 /nfs/dbraw/zinc/22/71/75/404227175.db2.gz AXPDMYFEMUJPHD-KGLIPLIRSA-N 0 3 322.453 2.011 20 30 DEEDHN CC(C#N)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000352419057 404357695 /nfs/dbraw/zinc/35/76/95/404357695.db2.gz KYMFVQIDVMSFRC-IUODEOHRSA-N 0 3 316.792 2.209 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)C1(C)C ZINC000329318444 404299990 /nfs/dbraw/zinc/29/99/90/404299990.db2.gz IGAGZDYWZQAAED-RJZRQDKASA-N 0 3 309.454 2.200 20 30 DEEDHN Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329324045 404301862 /nfs/dbraw/zinc/30/18/62/404301862.db2.gz VJUVPMOVYJKHFY-CJNGLKHVSA-N 0 3 317.437 2.098 20 30 DEEDHN CC#CCCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000355311500 404323502 /nfs/dbraw/zinc/32/35/02/404323502.db2.gz MFSNGNROHNEGIV-QGZVFWFLSA-N 0 3 300.402 2.385 20 30 DEEDHN CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)C2=CCN(C)CC2)C1(C)C ZINC000329708623 404428976 /nfs/dbraw/zinc/42/89/76/404428976.db2.gz MLRLTJWARUEISD-RVSPLBMKSA-N 0 3 309.454 2.344 20 30 DEEDHN C[C@@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000412642664 404380839 /nfs/dbraw/zinc/38/08/39/404380839.db2.gz BJAAEBPYLJWXBB-BQGCOEIASA-N 0 3 311.385 2.170 20 30 DEEDHN CO[C@@](C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000291341140 404381082 /nfs/dbraw/zinc/38/10/82/404381082.db2.gz VGXWYSOWCLNQQQ-YJBOKZPZSA-N 0 3 311.385 2.172 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000291464988 404389778 /nfs/dbraw/zinc/38/97/78/404389778.db2.gz DKQNXCIQKAPFJQ-ZBFHGGJFSA-N 0 3 310.825 2.386 20 30 DEEDHN CCc1nnc(CNC(=O)N2CCN(C3CCCC3)CC2)s1 ZINC000329640486 404404171 /nfs/dbraw/zinc/40/41/71/404404171.db2.gz XDNSRCXDIJCKBR-UHFFFAOYSA-N 0 3 323.466 2.075 20 30 DEEDHN CC(C)(C#N)CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000350990893 404499460 /nfs/dbraw/zinc/49/94/60/404499460.db2.gz NPOQHMHGYHOTQJ-INIZCTEOSA-N 0 3 314.433 2.500 20 30 DEEDHN [O-]C(NC1CC(C(F)(F)F)C1)=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329731412 404435699 /nfs/dbraw/zinc/43/56/99/404435699.db2.gz PTCIBWTVUCHCKJ-QJAFJHJLSA-N 0 3 302.300 2.112 20 30 DEEDHN [O-]C(NC1CC(C(F)(F)F)C1)=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329731412 404435701 /nfs/dbraw/zinc/43/57/01/404435701.db2.gz PTCIBWTVUCHCKJ-QJAFJHJLSA-N 0 3 302.300 2.112 20 30 DEEDHN [O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+]C1CC(C(F)(F)F)C1 ZINC000329731412 404435702 /nfs/dbraw/zinc/43/57/02/404435702.db2.gz PTCIBWTVUCHCKJ-QJAFJHJLSA-N 0 3 302.300 2.112 20 30 DEEDHN [O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+]C1CC(C(F)(F)F)C1 ZINC000329731412 404435704 /nfs/dbraw/zinc/43/57/04/404435704.db2.gz PTCIBWTVUCHCKJ-QJAFJHJLSA-N 0 3 302.300 2.112 20 30 DEEDHN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC1CCN(C[C@H]2CCOC2)CC1 ZINC000330002972 404523176 /nfs/dbraw/zinc/52/31/76/404523176.db2.gz BKNCCIRSECOEBI-RRFJBIMHSA-N 0 3 322.449 2.449 20 30 DEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCc3[nH]cnc3C2)C1(C)C ZINC000329746027 404439323 /nfs/dbraw/zinc/43/93/23/404439323.db2.gz RPFJHBBFWIVNGM-TUKIKUTGSA-N 0 3 320.437 2.316 20 30 DEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCc3nc[nH]c3C2)C1(C)C ZINC000329746027 404439328 /nfs/dbraw/zinc/43/93/28/404439328.db2.gz RPFJHBBFWIVNGM-TUKIKUTGSA-N 0 3 320.437 2.316 20 30 DEEDHN Cc1nc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1C#N ZINC000291590373 404439409 /nfs/dbraw/zinc/43/94/09/404439409.db2.gz HNARTONCPZIMND-GOSISDBHSA-N 0 3 322.412 2.093 20 30 DEEDHN COc1cc(OCCN(C)C)ccc1NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000413936720 404446793 /nfs/dbraw/zinc/44/67/93/404446793.db2.gz HGMPDOKLJRGPCN-YVEFUNNKSA-N 0 3 317.389 2.124 20 30 DEEDHN Cc1cncc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000350725423 404450687 /nfs/dbraw/zinc/45/06/87/404450687.db2.gz WUUXEIBLNRGCGB-KRWDZBQOSA-N 0 3 304.353 2.260 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000329787317 404451098 /nfs/dbraw/zinc/45/10/98/404451098.db2.gz YNVUOEZJBXNQRQ-MCIONIFRSA-N 0 3 309.454 2.319 20 30 DEEDHN CN(C)c1cc(NC(=O)NCC(C)(C)N2CCCCC2)ncn1 ZINC000329782040 404451394 /nfs/dbraw/zinc/45/13/94/404451394.db2.gz NQFHAOAFGBLNDO-UHFFFAOYSA-N 0 3 320.441 2.133 20 30 DEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000329799152 404455056 /nfs/dbraw/zinc/45/50/56/404455056.db2.gz IBCNAGKUWIQFSJ-UKRRQHHQSA-N 0 3 319.453 2.232 20 30 DEEDHN CON(C)C(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000291636316 404457850 /nfs/dbraw/zinc/45/78/50/404457850.db2.gz DNZJXYRGDDKHEM-CYBMUJFWSA-N 0 3 301.390 2.351 20 30 DEEDHN CON(C)C(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000291636318 404457876 /nfs/dbraw/zinc/45/78/76/404457876.db2.gz DNZJXYRGDDKHEM-ZDUSSCGKSA-N 0 3 301.390 2.351 20 30 DEEDHN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)C2)c1 ZINC000329810831 404457987 /nfs/dbraw/zinc/45/79/87/404457987.db2.gz QZALLRWGDPBZIB-BZUAXINKSA-N 0 3 319.453 2.225 20 30 DEEDHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000330218153 404589560 /nfs/dbraw/zinc/58/95/60/404589560.db2.gz OLUVZRDJUFLZJD-CJNGLKHVSA-N 0 3 309.454 2.178 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000330036728 404534266 /nfs/dbraw/zinc/53/42/66/404534266.db2.gz YMLDDLJTFBJGSD-UKRRQHHQSA-N 0 3 319.453 2.128 20 30 DEEDHN Cc1nnccc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000330099261 404551675 /nfs/dbraw/zinc/55/16/75/404551675.db2.gz CVQGMPQEAHIJGS-UHFFFAOYSA-N 0 3 303.410 2.281 20 30 DEEDHN CC(C)c1nnc(CNC(=O)C2CCN(C3CC3)CC2)n1C ZINC000330307516 404622386 /nfs/dbraw/zinc/62/23/86/404622386.db2.gz LVUOCRQLPGENOY-UHFFFAOYSA-N 0 3 305.426 2.269 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000330336176 404630605 /nfs/dbraw/zinc/63/06/05/404630605.db2.gz SFOFBGLVDUFFMU-CTASWTNQSA-N 0 3 320.437 2.470 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)CCCO)CC1 ZINC000357583687 404738889 /nfs/dbraw/zinc/73/88/89/404738889.db2.gz RUHQMHZRAMHHCC-UHFFFAOYSA-N 0 3 311.470 2.125 20 30 DEEDHN CC(C#N)C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000357807906 404744245 /nfs/dbraw/zinc/74/42/45/404744245.db2.gz MQENCDROBLCLLE-LLVKDONJSA-N 0 3 300.387 2.414 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)OC[C@@H]2CC)CC1 ZINC000358392988 404761537 /nfs/dbraw/zinc/76/15/37/404761537.db2.gz ZLXUPZNKSZMZHQ-ZBFHGGJFSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCOC)[C@H]2CC[C@@H](C)C2)CC1 ZINC000358449962 404763122 /nfs/dbraw/zinc/76/31/22/404763122.db2.gz RUEGMHKCJGWDJK-WBVHZDCISA-N 0 3 323.481 2.483 20 30 DEEDHN C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000358519673 404765090 /nfs/dbraw/zinc/76/50/90/404765090.db2.gz MOCJLGJGHLWSMO-DJIMGWMZSA-N 0 3 314.433 2.418 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000360016410 404812470 /nfs/dbraw/zinc/81/24/70/404812470.db2.gz MUTWJIDGMIMVLU-CABCVRRESA-N 0 3 315.479 2.305 20 30 DEEDHN N#CCCCC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000360190194 404821137 /nfs/dbraw/zinc/82/11/37/404821137.db2.gz UVFYLGVUXDGXTR-UHFFFAOYSA-N 0 3 315.417 2.471 20 30 DEEDHN CC(C)CN1CCO[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429886 404829299 /nfs/dbraw/zinc/82/92/99/404829299.db2.gz VDHATYIIXGECBB-HKUYNNGSSA-N 0 3 313.445 2.492 20 30 DEEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000353572847 404868946 /nfs/dbraw/zinc/86/89/46/404868946.db2.gz ZGQUMWOMTWGCDJ-ZYHUDNBSSA-N 0 3 312.797 2.202 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000434646925 404917706 /nfs/dbraw/zinc/91/77/06/404917706.db2.gz RMLPXUFVRVKMIT-CQSZACIVSA-N 0 3 301.390 2.284 20 30 DEEDHN CN(C)C(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424098982 405005849 /nfs/dbraw/zinc/00/58/49/405005849.db2.gz DZPFSLLXFPMFFQ-CYBMUJFWSA-N 0 3 322.796 2.001 20 30 DEEDHN CN(Cc1cccc(Br)c1)C(=O)[C@@H](N)CCCC#N ZINC000424099167 405006142 /nfs/dbraw/zinc/00/61/42/405006142.db2.gz MBLUMLYIUZPVBD-ZDUSSCGKSA-N 0 3 324.222 2.429 20 30 DEEDHN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424099203 405006383 /nfs/dbraw/zinc/00/63/83/405006383.db2.gz IQWAUAYDIARALP-AWEZNQCLSA-N 0 3 316.405 2.093 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000424134921 405018360 /nfs/dbraw/zinc/01/83/60/405018360.db2.gz OLRWYHREZSCXMZ-SJORKVTESA-N 0 3 308.385 2.308 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000424146223 405021351 /nfs/dbraw/zinc/02/13/51/405021351.db2.gz VYYRNQZNOCDMJC-INIZCTEOSA-N 0 3 303.381 2.380 20 30 DEEDHN CN(CCCCNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424154201 405024033 /nfs/dbraw/zinc/02/40/33/405024033.db2.gz LGBPPJFKHJIIAU-MRXNPFEDSA-N 0 3 302.422 2.040 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000451754387 405025380 /nfs/dbraw/zinc/02/53/80/405025380.db2.gz IWHHGHRAQIVQET-MRXNPFEDSA-N 0 3 314.364 2.367 20 30 DEEDHN Cc1csc([C@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)n1 ZINC000424159423 405025558 /nfs/dbraw/zinc/02/55/58/405025558.db2.gz SRGNLXSALJNKTM-QWHCGFSZSA-N 0 3 306.435 2.179 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451425013 404990789 /nfs/dbraw/zinc/99/07/89/404990789.db2.gz TVSAGXRXDPCHDH-RIUYPTKQSA-N 0 3 321.465 2.055 20 30 DEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000424087515 405001143 /nfs/dbraw/zinc/00/11/43/405001143.db2.gz IBDXZYJGZWGMLM-LBPRGKRZSA-N 0 3 301.375 2.165 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@]2(C)CCCO)CC1 ZINC000361420530 405067039 /nfs/dbraw/zinc/06/70/39/405067039.db2.gz BEHJASFMJXXPFU-SFHVURJKSA-N 0 3 323.481 2.364 20 30 DEEDHN COc1ccccc1CCNC(=O)CN[C@H]1CCC[C@@H](C#N)C1 ZINC000436281790 405067287 /nfs/dbraw/zinc/06/72/87/405067287.db2.gz FJNGVFMOPRFBSJ-ZBFHGGJFSA-N 0 3 315.417 2.026 20 30 DEEDHN CCn1cc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000451893588 405082333 /nfs/dbraw/zinc/08/23/33/405082333.db2.gz OYEXSZSUJZVMPX-ZDUSSCGKSA-N 0 3 311.389 2.454 20 30 DEEDHN N#CC(C(=O)NCC(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000416399417 405131109 /nfs/dbraw/zinc/13/11/09/405131109.db2.gz OTXDRULRKLTGPH-SSDOTTSWSA-N 0 3 311.185 2.386 20 30 DEEDHN CC#CC[C@H](N)C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC001574963580 1069309557 /nfs/dbraw/zinc/30/95/57/1069309557.db2.gz WVUFLYDGJNAIMG-DLBZAZTESA-N 0 3 312.413 2.107 20 30 DEEDHN C=CCCC[C@H](C)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452059568 405145584 /nfs/dbraw/zinc/14/55/84/405145584.db2.gz ZUYDCBRGSQZZGP-GJZGRUSLSA-N 0 3 304.438 2.311 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@@H]1c1ccccc1 ZINC000568410305 292339827 /nfs/dbraw/zinc/33/98/27/292339827.db2.gz ILVVJPWVYWPJRM-QZTJIDSGSA-N 0 3 321.380 2.342 20 30 DEEDHN C=CCCn1cc(C(=O)Nc2ccccc2CCN(C)C)nn1 ZINC000424806521 405184120 /nfs/dbraw/zinc/18/41/20/405184120.db2.gz QXTQMSRJPKPSJW-UHFFFAOYSA-N 0 3 313.405 2.211 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ncc(C#N)cc1Cl ZINC000408390754 405195164 /nfs/dbraw/zinc/19/51/64/405195164.db2.gz ZCHAPXCUZADHSP-MFKMUULPSA-N 0 3 306.797 2.019 20 30 DEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ncc(C#N)cc1Cl ZINC000408390752 405195225 /nfs/dbraw/zinc/19/52/25/405195225.db2.gz ZCHAPXCUZADHSP-GWCFXTLKSA-N 0 3 306.797 2.019 20 30 DEEDHN C=CC[C@H](C(=O)NC[C@](C)(O)CCN(C)C)c1ccccc1 ZINC000420000951 405279064 /nfs/dbraw/zinc/27/90/64/405279064.db2.gz QORFDKYFWLZDQO-FUHWJXTLSA-N 0 3 304.434 2.165 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000437995522 405228412 /nfs/dbraw/zinc/22/84/12/405228412.db2.gz RNJNPOUZTLWPND-OIISXLGYSA-N 0 3 323.481 2.339 20 30 DEEDHN N#Cc1nc(N2CC[C@@H](N3CC=CC3)C2)ccc1C(F)(F)F ZINC000443510894 405338988 /nfs/dbraw/zinc/33/89/88/405338988.db2.gz PCYPUWFSLYNEGE-LLVKDONJSA-N 0 3 308.307 2.423 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1(O)CCCCCC1 ZINC000426232319 405346427 /nfs/dbraw/zinc/34/64/27/405346427.db2.gz MOHGUJPHICWGAH-WBVHZDCISA-N 0 3 323.481 2.446 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CN2CC[C@H](c3nc[nH]n3)C2)c1C ZINC000425546654 405301276 /nfs/dbraw/zinc/30/12/76/405301276.db2.gz KZWBPXDFLXLMOC-AWEZNQCLSA-N 0 3 313.405 2.081 20 30 DEEDHN N#CCCCOc1cccc(CN[C@@]2(CCO)CCOC2)c1 ZINC000447073896 405401461 /nfs/dbraw/zinc/40/14/61/405401461.db2.gz AAUCQPZIDXRXOI-KRWDZBQOSA-N 0 3 304.390 2.000 20 30 DEEDHN CC(C#N)C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000427525998 405410628 /nfs/dbraw/zinc/41/06/28/405410628.db2.gz BAKNBIHYDLMKKG-GHMZBOCLSA-N 0 3 314.307 2.132 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](OCC)[C@H](C)C2)CC1 ZINC000454539083 405360304 /nfs/dbraw/zinc/36/03/04/405360304.db2.gz IVEMKCFLCZARGZ-GDBMZVCRSA-N 0 3 309.454 2.093 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429010956 405425818 /nfs/dbraw/zinc/42/58/18/405425818.db2.gz RLJYXMLOXGGELG-XLAORIBOSA-N 0 3 321.509 2.462 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(C)ccc1OC ZINC000429716825 405445502 /nfs/dbraw/zinc/44/55/02/405445502.db2.gz LEKSHQPZMFMWEQ-UHFFFAOYSA-N 0 3 319.449 2.382 20 30 DEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]2COC[C@@H]21 ZINC000577637205 405485648 /nfs/dbraw/zinc/48/56/48/405485648.db2.gz NAHVAMVVBGPJDV-IXDOHACOSA-N 0 3 323.396 2.124 20 30 DEEDHN N#C[C@H]1CCC[C@@H](NCCn2cc(Br)ccc2=O)C1 ZINC000449378560 405530809 /nfs/dbraw/zinc/53/08/09/405530809.db2.gz REHXGQYQDUFNPR-WCQYABFASA-N 0 3 324.222 2.283 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCc2cccc(C#N)c2)C1 ZINC000458737701 405565465 /nfs/dbraw/zinc/56/54/65/405565465.db2.gz PYZONGDTTUTMPJ-QGZVFWFLSA-N 0 3 314.433 2.225 20 30 DEEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000580419270 405610475 /nfs/dbraw/zinc/61/04/75/405610475.db2.gz YYZWPZPXLKTCOK-KBXCAEBGSA-N 0 3 317.408 2.370 20 30 DEEDHN C[C@H]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528479112 405627956 /nfs/dbraw/zinc/62/79/56/405627956.db2.gz VKJMZKNZIPMNAO-LSDHHAIUSA-N 0 3 310.397 2.406 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@@](COC)(C(=O)OC)C1 ZINC000449460538 405572463 /nfs/dbraw/zinc/57/24/63/405572463.db2.gz ZDYZYMBEOHNRLU-GOSISDBHSA-N 0 3 319.401 2.263 20 30 DEEDHN CC[C@H]1CN(CCN[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000494438243 405697378 /nfs/dbraw/zinc/69/73/78/405697378.db2.gz QEQSTUGULULOSQ-HIFRSBDPSA-N 0 3 305.397 2.459 20 30 DEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000528916662 405744700 /nfs/dbraw/zinc/74/47/00/405744700.db2.gz DZYHLIAHRQFFPP-FMKNKJFCSA-N 0 3 300.358 2.393 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494703175 405751648 /nfs/dbraw/zinc/75/16/48/405751648.db2.gz NDIHRFIXRRBMIJ-IKGGRYGDSA-N 0 3 315.417 2.125 20 30 DEEDHN CCN1CCCN(C(=O)Nc2ccc(COC)c(C#N)c2)CC1 ZINC000529214887 405752837 /nfs/dbraw/zinc/75/28/37/405752837.db2.gz WQZCATXQKDDUIW-UHFFFAOYSA-N 0 3 316.405 2.264 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000432563874 405782286 /nfs/dbraw/zinc/78/22/86/405782286.db2.gz WWDUQHVVPORMOQ-OAHLLOKOSA-N 0 3 323.481 2.483 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N(C)CC(C)(C)C#N)cc1 ZINC000457510320 405875876 /nfs/dbraw/zinc/87/58/76/405875876.db2.gz AVXVYXNSAUYIEI-UHFFFAOYSA-N 0 3 302.422 2.439 20 30 DEEDHN C=CCOc1ccc(CNC[C@@H]2CCCC(=O)N2)cc1OC ZINC000433177394 405887761 /nfs/dbraw/zinc/88/77/61/405887761.db2.gz SGKIJNOUGIIZLK-AWEZNQCLSA-N 0 3 304.390 2.018 20 30 DEEDHN CC(C#N)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000495266650 405858037 /nfs/dbraw/zinc/85/80/37/405858037.db2.gz UEKGSNPGTNAVFP-RFGFWPKPSA-N 0 3 321.421 2.298 20 30 DEEDHN CN(C)[C@@H](CNC(=O)N(C)CC(C)(C)C#N)Cc1ccccc1 ZINC000457482562 405861517 /nfs/dbraw/zinc/86/15/17/405861517.db2.gz MJWOADAFXQPPNU-MRXNPFEDSA-N 0 3 316.449 2.350 20 30 DEEDHN C[C@H]1CN(CCOCCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000495592737 405925682 /nfs/dbraw/zinc/92/56/82/405925682.db2.gz ITJNESOEWGLYBF-KBPBESRZSA-N 0 3 311.426 2.152 20 30 DEEDHN CN(C)C(=O)OC1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000495599278 405925921 /nfs/dbraw/zinc/92/59/21/405925921.db2.gz YIKZXWFSNGULAV-UHFFFAOYSA-N 0 3 323.437 2.250 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000495655929 405928090 /nfs/dbraw/zinc/92/80/90/405928090.db2.gz IDZMGZIQIUBQKF-RYUDHWBXSA-N 0 3 309.410 2.298 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000495827410 405936150 /nfs/dbraw/zinc/93/61/50/405936150.db2.gz NJYHCBYKSRKIJO-KFWWJZLASA-N 0 3 321.421 2.396 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000433476863 405953139 /nfs/dbraw/zinc/95/31/39/405953139.db2.gz FBGFVFXVPNWPKC-BBWFWOEESA-N 0 3 300.402 2.426 20 30 DEEDHN CC[C@@H](C)NC(=O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433320852 405923226 /nfs/dbraw/zinc/92/32/26/405923226.db2.gz TXRNQZAWMMGPSQ-GDBMZVCRSA-N 0 3 315.417 2.180 20 30 DEEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2sccc2C#N)C12CCC2 ZINC000459755102 406034013 /nfs/dbraw/zinc/03/40/13/406034013.db2.gz JOUMRXVXJQVQBR-VXGBXAGGSA-N 0 3 305.403 2.105 20 30 DEEDHN CN1CC[C@@H]2CN(c3ccc(Br)cc3C#N)C[C@@H]21 ZINC000450773600 405980799 /nfs/dbraw/zinc/98/07/99/405980799.db2.gz BEDWQOKUSPSJAI-YGRLFVJLSA-N 0 3 306.207 2.461 20 30 DEEDHN Cc1ccc([C@@H](CNC(=O)NCC2(C#N)CC2)N(C)C)cc1 ZINC000567444785 406096624 /nfs/dbraw/zinc/09/66/24/406096624.db2.gz IVRZQLLSJWKQFN-OAHLLOKOSA-N 0 3 300.406 2.201 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459815284 406056580 /nfs/dbraw/zinc/05/65/80/406056580.db2.gz XZCYIFGPSUBONN-DLBZAZTESA-N 0 3 308.466 2.284 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634458679 406139181 /nfs/dbraw/zinc/13/91/81/406139181.db2.gz ZYPOWLFHHAXEKJ-WMZOPIPTSA-N 0 3 302.418 2.013 20 30 DEEDHN CN(CCC#N)C(=O)CCNC1(c2ccccc2)CCOCC1 ZINC000536740970 406277810 /nfs/dbraw/zinc/27/78/10/406277810.db2.gz BWQIQWMSEYRSRE-UHFFFAOYSA-N 0 3 315.417 2.044 20 30 DEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)c(C)n1 ZINC000569878630 406314467 /nfs/dbraw/zinc/31/44/67/406314467.db2.gz HNZURJDBPGXGOA-HNNXBMFYSA-N 0 3 300.406 2.208 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000545999632 406342143 /nfs/dbraw/zinc/34/21/43/406342143.db2.gz RALFKJSYZWLTQT-HIFRSBDPSA-N 0 3 314.389 2.125 20 30 DEEDHN COc1cc(C#N)ccc1OCCNC(C)(C)c1cnn(C)c1 ZINC000547413288 406407468 /nfs/dbraw/zinc/40/74/68/406407468.db2.gz JRSMCQTXHVJZLT-UHFFFAOYSA-N 0 3 314.389 2.204 20 30 DEEDHN C#CCN(CC)C[C@@H](O)COc1ccc(Br)cc1 ZINC000490740352 406488625 /nfs/dbraw/zinc/48/86/25/406488625.db2.gz KESYXMHNICGAKK-CYBMUJFWSA-N 0 3 312.207 2.144 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000490831753 406496952 /nfs/dbraw/zinc/49/69/52/406496952.db2.gz XCSXYBGPECIKQB-OAHLLOKOSA-N 0 3 318.804 2.235 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000491304143 406564688 /nfs/dbraw/zinc/56/46/88/406564688.db2.gz DIAMKLWFZFQBJF-UHFFFAOYSA-N 0 3 315.348 2.166 20 30 DEEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491450531 406595330 /nfs/dbraw/zinc/59/53/30/406595330.db2.gz AXCRVGGQAHCDCX-STQMWFEESA-N 0 3 304.390 2.422 20 30 DEEDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)N(CCC#N)c1ccccc1 ZINC000572131897 406611393 /nfs/dbraw/zinc/61/13/93/406611393.db2.gz RFQVJCIPPQZFHW-CWRNSKLLSA-N 0 3 315.417 2.071 20 30 DEEDHN C#CCN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000491544934 406616670 /nfs/dbraw/zinc/61/66/70/406616670.db2.gz OHEYPSPPFQXQQU-OAHLLOKOSA-N 0 3 310.438 2.092 20 30 DEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000491623494 406636572 /nfs/dbraw/zinc/63/65/72/406636572.db2.gz GBRCKRRPJFBDFH-HUUCEWRRSA-N 0 3 305.809 2.408 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC=C)Cc1ccccc1F ZINC000491337901 406571350 /nfs/dbraw/zinc/57/13/50/406571350.db2.gz DLZACPYFODWYQR-UHFFFAOYSA-N 0 3 317.408 2.478 20 30 DEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccc(CC=C)cc1OC ZINC000491657880 406654042 /nfs/dbraw/zinc/65/40/42/406654042.db2.gz KOMVKUREAZBMAF-GDBMZVCRSA-N 0 3 303.402 2.117 20 30 DEEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccc(Br)cc1 ZINC000491702391 406677130 /nfs/dbraw/zinc/67/71/30/406677130.db2.gz GDVNJCZNCYQSTN-YPMHNXCESA-N 0 3 312.207 2.142 20 30 DEEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(Br)cn1 ZINC000491709606 406681730 /nfs/dbraw/zinc/68/17/30/406681730.db2.gz QWKPNLXGOKRCAT-LBPRGKRZSA-N 0 3 310.239 2.450 20 30 DEEDHN C#C[C@H](NC(=O)N[C@@H](C)CN(C)C)c1ccc(Cl)cc1F ZINC000491761320 406706292 /nfs/dbraw/zinc/70/62/92/406706292.db2.gz VKEWFOPJGVTDOE-HZMBPMFUSA-N 0 3 311.788 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1SCCc2ccccc21 ZINC000491773917 406710970 /nfs/dbraw/zinc/71/09/70/406710970.db2.gz WCFRIXHHOZGBFG-INIZCTEOSA-N 0 3 302.443 2.088 20 30 DEEDHN C#CCNC(=O)C1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000491775932 406712130 /nfs/dbraw/zinc/71/21/30/406712130.db2.gz DPBQHCQPEJBSBN-VURMDHGXSA-N 0 3 312.413 2.170 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000491803117 406727570 /nfs/dbraw/zinc/72/75/70/406727570.db2.gz IIRNBKCLOBUKQX-DQYPLSBCSA-N 0 3 315.392 2.282 20 30 DEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000553781572 406774863 /nfs/dbraw/zinc/77/48/63/406774863.db2.gz CDLWIVVTFPQNFC-DAYGRLMNSA-N 0 3 311.429 2.289 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000553864880 406775946 /nfs/dbraw/zinc/77/59/46/406775946.db2.gz BUSYUOVNBVKUQO-CYBMUJFWSA-N 0 3 312.417 2.208 20 30 DEEDHN CC#CC[C@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000641768738 406888613 /nfs/dbraw/zinc/88/86/13/406888613.db2.gz GXBSUGRGGXBMEQ-OAHLLOKOSA-N 0 3 303.793 2.390 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000344818286 287008722 /nfs/dbraw/zinc/00/87/22/287008722.db2.gz YDFXMNROUMOMSC-CQSZACIVSA-N 0 3 310.417 2.288 20 30 DEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCOC1 ZINC000131206925 196149062 /nfs/dbraw/zinc/14/90/62/196149062.db2.gz PBHJJMNISALNEA-ZDUSSCGKSA-N 0 3 310.191 2.340 20 30 DEEDHN N#Cc1c(-n2cccn2)cccc1N1CCN(C2CCC2)CC1 ZINC000571940264 292582805 /nfs/dbraw/zinc/58/28/05/292582805.db2.gz WHXVGAOYGHQTNQ-UHFFFAOYSA-N 0 3 307.401 2.418 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000296214876 225662296 /nfs/dbraw/zinc/66/22/96/225662296.db2.gz WPFKLXWIXOWYCB-HFBAOOFYSA-N 0 3 301.390 2.146 20 30 DEEDHN O=C(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)C1CCC(=O)CC1 ZINC000330227682 225983743 /nfs/dbraw/zinc/98/37/43/225983743.db2.gz PJFWVNXPPHLQDF-IAGOWNOFSA-N 0 3 322.449 2.470 20 30 DEEDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330748628 226028343 /nfs/dbraw/zinc/02/83/43/226028343.db2.gz AMSFXWSNDARFCP-JTQLQIEISA-N 0 3 304.350 2.253 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N(C)C)c2)CCN1C ZINC000330891133 226040268 /nfs/dbraw/zinc/04/02/68/226040268.db2.gz CKXJFHDQKODDIU-DOMZBBRYSA-N 0 3 303.406 2.176 20 30 DEEDHN N#CC1(CCCN2CCC[C@H](n3cncn3)C2)CCOCC1 ZINC000332135472 226093102 /nfs/dbraw/zinc/09/31/02/226093102.db2.gz KPVWHGQYFXZYAI-HNNXBMFYSA-N 0 3 303.410 2.016 20 30 DEEDHN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(CCCC(C)(C)C#N)C1 ZINC000332697706 226099598 /nfs/dbraw/zinc/09/95/98/226099598.db2.gz MRDXVOCZPKMOSO-GJZGRUSLSA-N 0 3 307.438 2.028 20 30 DEEDHN N#C[C@@H]1CC[C@H](N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)C1 ZINC000339155276 226180971 /nfs/dbraw/zinc/18/09/71/226180971.db2.gz QVCQYYGKJJOJFB-YDZRNGNQSA-N 0 3 311.429 2.264 20 30 DEEDHN CCn1cncc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000417732534 229081058 /nfs/dbraw/zinc/08/10/58/229081058.db2.gz WYYSIKAJMKBPBI-UHFFFAOYSA-N 0 3 323.444 2.483 20 30 DEEDHN C=CCONC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000834929655 649861093 /nfs/dbraw/zinc/86/10/93/649861093.db2.gz SDVSVXBUHYXUKD-MRXNPFEDSA-N 0 3 321.421 2.495 20 30 DEEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1csc(NC2CC2)n1 ZINC000330256416 424909190 /nfs/dbraw/zinc/90/91/90/424909190.db2.gz KPFDHYCZEZTNRK-LBPRGKRZSA-N 0 3 320.462 3.039 20 30 DEEDHN Cc1cc(CN2CCC[C@H](c3ccnc(N)n3)C2)ccc1C#N ZINC000331598001 424914757 /nfs/dbraw/zinc/91/47/57/424914757.db2.gz UDZRJAAUNRKCDV-INIZCTEOSA-N 0 3 307.401 2.619 20 30 DEEDHN CN(C)[C@H](CNc1ccc(C#N)c(N)n1)c1ccc(Cl)cc1 ZINC000578026124 424956277 /nfs/dbraw/zinc/95/62/77/424956277.db2.gz JSPBMNMENMGYJM-CQSZACIVSA-N 0 3 315.808 2.904 20 30 DEEDHN Cc1ccc([C@@H](CNc2cc(C#N)cnn2)N2CCCC2)cc1 ZINC000596098604 425017670 /nfs/dbraw/zinc/01/76/70/425017670.db2.gz SABKYSWOTSGSPH-QGZVFWFLSA-N 0 3 307.401 2.906 20 30 DEEDHN N#Cc1ccc(NCC2CCN(Cc3ccncc3)CC2)nc1 ZINC000596436669 425025612 /nfs/dbraw/zinc/02/56/12/425025612.db2.gz NOKMCSGQFQDQCF-UHFFFAOYSA-N 0 3 307.401 2.672 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880666 425047179 /nfs/dbraw/zinc/04/71/79/425047179.db2.gz RZFLVPCTWMDQBY-BXUZGUMPSA-N 0 3 309.373 2.187 20 30 DEEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600880666 425047183 /nfs/dbraw/zinc/04/71/83/425047183.db2.gz RZFLVPCTWMDQBY-BXUZGUMPSA-N 0 3 309.373 2.187 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)COCC2CC2)CC1 ZINC000650852514 425066473 /nfs/dbraw/zinc/06/64/73/425066473.db2.gz HHWJEYYWFRLNTQ-AWEZNQCLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000650536241 425014761 /nfs/dbraw/zinc/01/47/61/425014761.db2.gz MDFRTDKPBVNCST-ZWKOTPCHSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC000651273110 425127144 /nfs/dbraw/zinc/12/71/44/425127144.db2.gz AVVPPSAIYLMAJO-LBPRGKRZSA-N 0 3 308.344 2.111 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(CN)c1 ZINC000666820075 425190280 /nfs/dbraw/zinc/19/02/80/425190280.db2.gz WEUKIQONWBRWBT-UHFFFAOYSA-N 0 3 303.406 2.289 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C)O)C(C)C ZINC000663668504 425210740 /nfs/dbraw/zinc/21/07/40/425210740.db2.gz PSJCGTJPNXHVCL-BRWVUGGUSA-N 0 3 323.481 2.240 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000660700060 425211146 /nfs/dbraw/zinc/21/11/46/425211146.db2.gz IZUNHJCXOPMQSW-JKSUJKDBSA-N 0 3 309.454 2.095 20 30 DEEDHN C=CCOc1ccc(CNC[C@@H](OC)[C@@H]2CCOC2)cc1OC ZINC000657544996 425362277 /nfs/dbraw/zinc/36/22/77/425362277.db2.gz RMYQCVSFJIBYCB-CRAIPNDOSA-N 0 3 321.417 2.401 20 30 DEEDHN C=CC[C@@H]1CCCN([C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000661379723 425394923 /nfs/dbraw/zinc/39/49/23/425394923.db2.gz HIYCSYMOOXKPEQ-HUUCEWRRSA-N 0 3 302.422 2.204 20 30 DEEDHN C=CC[C@@H]1CCCN(CCNS(=O)(=O)c2ccccc2)C1 ZINC000661381108 425395167 /nfs/dbraw/zinc/39/51/67/425395167.db2.gz VOWINAPWNFDOCY-OAHLLOKOSA-N 0 3 308.447 2.253 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000662085378 425561052 /nfs/dbraw/zinc/56/10/52/425561052.db2.gz FZNCUKKSTWNXRI-WQVCFCJDSA-N 0 3 313.401 2.296 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000662085377 425561208 /nfs/dbraw/zinc/56/12/08/425561208.db2.gz FZNCUKKSTWNXRI-VBNZEHGJSA-N 0 3 313.401 2.296 20 30 DEEDHN C=C[C@H](CO)NCCC(=O)Nc1c(Cl)cccc1Cl ZINC000662168018 425580584 /nfs/dbraw/zinc/58/05/84/425580584.db2.gz PAEHBBOZDGKSAS-SECBINFHSA-N 0 3 303.189 2.459 20 30 DEEDHN C=C[C@H](CO)NCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000662167892 425580687 /nfs/dbraw/zinc/58/06/87/425580687.db2.gz NOKMCCRIGYEDNU-GOSISDBHSA-N 0 3 324.424 2.419 20 30 DEEDHN NC[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000655516310 425588613 /nfs/dbraw/zinc/58/86/13/425588613.db2.gz SERLCOWXWGCTGJ-QMMMGPOBSA-N 0 3 318.192 2.464 20 30 DEEDHN C=CCC[C@@H](O)CN1CCN(C[C@@H](O)CCC=C)[C@H](C)[C@H]1C ZINC000662225770 425593231 /nfs/dbraw/zinc/59/32/31/425593231.db2.gz NYNGAAWTHSPJEB-TVFCKZIOSA-N 0 3 310.482 2.035 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000666237262 425723036 /nfs/dbraw/zinc/72/30/36/425723036.db2.gz AKLQOQCIYFGZAL-AWEZNQCLSA-N 0 3 305.426 2.265 20 30 DEEDHN CN(c1cncc(C#N)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000401336631 269111939 /nfs/dbraw/zinc/11/19/39/269111939.db2.gz RVLRRWRKQXDCTG-QGZVFWFLSA-N 0 3 307.401 2.449 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCCCC2CCCC2)nc1 ZINC000515477840 269350907 /nfs/dbraw/zinc/35/09/07/269350907.db2.gz HORLMLSHJXQKTD-UHFFFAOYSA-N 0 3 321.446 2.287 20 30 DEEDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C1(C)C ZINC000296056439 274073343 /nfs/dbraw/zinc/07/33/43/274073343.db2.gz FZECHVHGRYJMKZ-DYVFJYSZSA-N 0 3 319.405 2.500 20 30 DEEDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@H]1N(C)C ZINC000413198231 274182153 /nfs/dbraw/zinc/18/21/53/274182153.db2.gz BWCAKSLVIYUWHW-HUUCEWRRSA-N 0 3 320.418 2.257 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCOCC1)C(C)C ZINC000364055461 275744503 /nfs/dbraw/zinc/74/45/03/275744503.db2.gz QFDRBIVXQKFXOF-MRXNPFEDSA-N 0 3 309.454 2.117 20 30 DEEDHN CC(C)(C)N1CCC(NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000329552939 275814122 /nfs/dbraw/zinc/81/41/22/275814122.db2.gz DCVAIGLVALVJPT-CYBMUJFWSA-N 0 3 316.467 2.173 20 30 DEEDHN CCN(C)CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419452056 276069150 /nfs/dbraw/zinc/06/91/50/276069150.db2.gz VTUGPEIGNLAHOU-MRXNPFEDSA-N 0 3 300.406 2.187 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330203510 276155263 /nfs/dbraw/zinc/15/52/63/276155263.db2.gz CASDTQIODORJTB-HUUCEWRRSA-N 0 3 309.454 2.466 20 30 DEEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(C#N)s1 ZINC000487243622 276761004 /nfs/dbraw/zinc/76/10/04/276761004.db2.gz BCEZCONEECSZHK-UHFFFAOYSA-N 0 3 314.414 2.219 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)/C=C/c2ccc(C#N)cc2)CCSC1 ZINC000267219683 276847502 /nfs/dbraw/zinc/84/75/02/276847502.db2.gz HUVWKAVCRZJYFO-IWAYRVGRSA-N 0 3 315.442 2.125 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@]12CCOC2)C(C)C ZINC000359272207 276892081 /nfs/dbraw/zinc/89/20/81/276892081.db2.gz MMXGJSJYQCOBBU-NUJGCVRESA-N 0 3 306.450 2.228 20 30 DEEDHN CS[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000413225774 278157839 /nfs/dbraw/zinc/15/78/39/278157839.db2.gz GXAFVOQLMCTOGB-UONOGXRCSA-N 0 3 306.410 2.108 20 30 DEEDHN Cc1cc(C(=O)N[C@@H](C)CN2CCCCCC2)ncc1C#N ZINC000457710110 278646803 /nfs/dbraw/zinc/64/68/03/278646803.db2.gz FOFCQJZKVRFIJK-AWEZNQCLSA-N 0 3 300.406 2.256 20 30 DEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000408122707 279115757 /nfs/dbraw/zinc/11/57/57/279115757.db2.gz ZALWRRRGMDOXBV-BXUZGUMPSA-N 0 3 318.808 2.305 20 30 DEEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cn1C ZINC000332025375 289214118 /nfs/dbraw/zinc/21/41/18/289214118.db2.gz IERDMWAZAJLVKF-MRXNPFEDSA-N 0 3 322.412 2.420 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CCCC[C@@H]1O ZINC000305834323 289341562 /nfs/dbraw/zinc/34/15/62/289341562.db2.gz WMRDIPCAYAXWLI-OAGGEKHMSA-N 0 3 321.465 2.200 20 30 DEEDHN C[C@@H]1NCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H]1C ZINC000417917702 297547411 /nfs/dbraw/zinc/54/74/11/297547411.db2.gz OJDMTMCMFNLHEX-DZKIICNBSA-N 0 3 300.406 2.423 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCC(C)CC1 ZINC000355964392 298699665 /nfs/dbraw/zinc/69/96/65/298699665.db2.gz QEVGZXJRAGXKBV-OAHLLOKOSA-N 0 3 306.454 2.442 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cc(OC)no1 ZINC001368915745 1148767055 /nfs/dbraw/zinc/76/70/55/1148767055.db2.gz OEIGOOSZKHBXGN-UHFFFAOYSA-N 0 3 315.801 2.124 20 30 DEEDHN N#Cc1ncc(NC(=O)C2CCN(C3CC3)CC2)cc1Cl ZINC000573569969 326071079 /nfs/dbraw/zinc/07/10/79/326071079.db2.gz BTKDQVUEDQFXPH-UHFFFAOYSA-N 0 3 304.781 2.420 20 30 DEEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000573696383 326082987 /nfs/dbraw/zinc/08/29/87/326082987.db2.gz SHIQEVDFNCSFIG-AWEZNQCLSA-N 0 3 317.408 2.382 20 30 DEEDHN CN(C)C(=O)CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000576357301 326288225 /nfs/dbraw/zinc/28/82/25/326288225.db2.gz NNUVGVHRQRQRPT-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN C=CCCC(=O)NC[C@H](CC)NC(=O)C(C)(C)N1CCCCC1 ZINC001356872731 1152167794 /nfs/dbraw/zinc/16/77/94/1152167794.db2.gz NMUBPSNFODUSLA-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN CSc1ccc([C@H](C)NC[C@@H](O)CN(C)CCC#N)cc1 ZINC000580065992 332925370 /nfs/dbraw/zinc/92/53/70/332925370.db2.gz HDCDNNVUAUEPBS-DZGCQCFKSA-N 0 3 307.463 2.265 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@H](C#N)C3)C2=O)cc1 ZINC000557573134 331800404 /nfs/dbraw/zinc/80/04/04/331800404.db2.gz MVIUUOFRBVPURQ-UXLLHSPISA-N 0 3 308.385 2.336 20 30 DEEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](C)C#N)N(C)C ZINC000557737850 331812846 /nfs/dbraw/zinc/81/28/46/331812846.db2.gz ZNHVUTZABGSWHQ-XPKDYRNWSA-N 0 3 302.422 2.445 20 30 DEEDHN C[C@]1(NC(=O)NCC2(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000564662349 332264431 /nfs/dbraw/zinc/26/44/31/332264431.db2.gz XAZARWULPSTOJV-KRWDZBQOSA-N 0 3 312.417 2.254 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000562996826 333026290 /nfs/dbraw/zinc/02/62/90/333026290.db2.gz OIEYGEPGXPZYJW-RHSMWYFYSA-N 0 3 301.434 2.205 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497155036 333129429 /nfs/dbraw/zinc/12/94/29/333129429.db2.gz QZIBTGLCOWYBJI-KWCYVHTRSA-N 0 3 321.421 2.298 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2Cc2cccc(OC)c2)C1=O ZINC000518782382 333199708 /nfs/dbraw/zinc/19/97/08/333199708.db2.gz WHIKLQSMFIZLIU-SJLPKXTDSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccccc1F ZINC000296960917 335150499 /nfs/dbraw/zinc/15/04/99/335150499.db2.gz QXELEUKKLKLMJJ-CQSZACIVSA-N 0 3 305.397 2.483 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000571341093 333766058 /nfs/dbraw/zinc/76/60/58/333766058.db2.gz IOULPLUNACHRSH-UHFFFAOYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](CC)CNC(=O)CN(CC)CC)CC1 ZINC001356888973 1152175365 /nfs/dbraw/zinc/17/53/65/1152175365.db2.gz SGCVXJGUMSVSLR-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CCC[C@H](C#N)CNCCCC(=O)N1CCc2ccccc21 ZINC000519819769 335897944 /nfs/dbraw/zinc/89/79/44/335897944.db2.gz MWMCKMLZEZXVTA-OAHLLOKOSA-N 0 3 310.401 2.389 20 30 DEEDHN Cc1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cn12 ZINC000352112101 336195439 /nfs/dbraw/zinc/19/54/39/336195439.db2.gz ADQULLHTXNJQPB-LBPRGKRZSA-N 0 3 316.324 2.404 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)[C@H]1C ZINC001088985467 782100198 /nfs/dbraw/zinc/10/01/98/782100198.db2.gz ZOOMKHRNQMQAJB-UWWQBHOKSA-N 0 3 314.429 2.454 20 30 DEEDHN Cc1ccc(F)cc1C(=O)C(=O)N(CCC#N)CCCN(C)C ZINC000359176344 336661490 /nfs/dbraw/zinc/66/14/90/336661490.db2.gz SRXFUNMCMVTVDW-UHFFFAOYSA-N 0 3 319.380 2.011 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H](C)C(C)(C)C)CC1 ZINC000582624072 337115891 /nfs/dbraw/zinc/11/58/91/337115891.db2.gz XGKYQHSHQDUZGE-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(C(C)(C)C)cc1 ZINC000582660636 337117178 /nfs/dbraw/zinc/11/71/78/337117178.db2.gz KXNIXPASZSURMY-KRWDZBQOSA-N 0 3 303.450 2.280 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000583031899 337231323 /nfs/dbraw/zinc/23/13/23/337231323.db2.gz BBFIGLZCAQTEFJ-IFXJQAMLSA-N 0 3 320.396 2.433 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC[C@H](O)CC)C(C)C ZINC000268863978 337635563 /nfs/dbraw/zinc/63/55/63/337635563.db2.gz RJVHCKRFBVVDFN-CVEARBPZSA-N 0 3 311.470 2.145 20 30 DEEDHN CC(C#N)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000430447226 338107279 /nfs/dbraw/zinc/10/72/79/338107279.db2.gz MKAGFGLHUKHBSP-ISTRZQFTSA-N 0 3 304.365 2.175 20 30 DEEDHN CN1CCC(NN=C2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000496238607 340001322 /nfs/dbraw/zinc/00/13/22/340001322.db2.gz LSFRULZJESFZKQ-AWEZNQCLSA-N 0 3 324.469 2.494 20 30 DEEDHN C[C@H](C#N)OCCN(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000496466969 340006034 /nfs/dbraw/zinc/00/60/34/340006034.db2.gz CWERVXKJPMHYMP-OCCSQVGLSA-N 0 3 311.426 2.150 20 30 DEEDHN CC(=NNC1=N[C@H](C)CN1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496910973 340015937 /nfs/dbraw/zinc/01/59/37/340015937.db2.gz QHKMOEYLXJPKBS-DGCLKSJQSA-N 0 3 323.441 2.089 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000176879176 340433256 /nfs/dbraw/zinc/43/32/56/340433256.db2.gz CMBBRVDOLMHSJQ-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC(CC)(CC)CO)CC1 ZINC000130626227 341034027 /nfs/dbraw/zinc/03/40/27/341034027.db2.gz VKBXQZCWDNIHOF-UHFFFAOYSA-N 0 3 311.470 2.125 20 30 DEEDHN CC(C)(C#N)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000131883041 341113036 /nfs/dbraw/zinc/11/30/36/341113036.db2.gz LXZNXKUTIQYLPK-LBPRGKRZSA-N 0 3 303.366 2.416 20 30 DEEDHN N#CC(C(=O)c1ccnn1C(F)F)c1nnc2n1CCCCC2 ZINC000564345906 341254263 /nfs/dbraw/zinc/25/42/63/341254263.db2.gz DTXAJGBEZXDJRF-SECBINFHSA-N 0 3 320.303 2.086 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000246754063 341356753 /nfs/dbraw/zinc/35/67/53/341356753.db2.gz PUIQOXGKMFUEKJ-KBPBESRZSA-N 0 3 318.425 2.039 20 30 DEEDHN C[C@H](C#N)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248463179 341378427 /nfs/dbraw/zinc/37/84/27/341378427.db2.gz YRQMPTYFBBJHKU-VYDXJSESSA-N 0 3 314.433 2.498 20 30 DEEDHN N[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000568965583 341686816 /nfs/dbraw/zinc/68/68/16/341686816.db2.gz XTCYFKIFLFUDCM-RBUKOAKNSA-N 0 3 319.408 2.174 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)[C@H]1C ZINC001089009129 782116284 /nfs/dbraw/zinc/11/62/84/782116284.db2.gz VBFFTUFDSPDAKC-HIFRSBDPSA-N 0 3 315.417 2.175 20 30 DEEDHN CC[C@H](CNC(=O)C1=COCCC1)NCc1ccc(C#N)s1 ZINC001378255102 1152255256 /nfs/dbraw/zinc/25/52/56/1152255256.db2.gz WFHFOKDZBMKCIN-CYBMUJFWSA-N 0 3 319.430 2.298 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001397101407 1159984879 /nfs/dbraw/zinc/98/48/79/1159984879.db2.gz RXBBYFNWEBMFKB-NFAWXSAZSA-N 0 3 307.825 2.422 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC001357326643 1152289049 /nfs/dbraw/zinc/28/90/49/1152289049.db2.gz NINOZDKGPRNISB-OAHLLOKOSA-N 0 3 317.433 2.027 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCOC2)CCCCC1 ZINC001378400535 1152318002 /nfs/dbraw/zinc/31/80/02/1152318002.db2.gz QBGJACRKLWCRAF-CYBMUJFWSA-N 0 3 300.830 2.184 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](CC(C)C)NC(C)=O ZINC001329940215 1149021582 /nfs/dbraw/zinc/02/15/82/1149021582.db2.gz XPAUCIQFBQLZNP-SJORKVTESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Br)CNC[C@@H](NC(=O)[C@@H](C)OC)C(C)(C)C ZINC001369538864 1149028823 /nfs/dbraw/zinc/02/88/23/1149028823.db2.gz HZRFMEBTCFAVJD-GHMZBOCLSA-N 0 3 321.259 2.050 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CN(CC)CC)o2)[C@H]1C ZINC001089070414 782148426 /nfs/dbraw/zinc/14/84/26/782148426.db2.gz CMJNJFCUSAYEOQ-ZBFHGGJFSA-N 0 3 319.449 2.500 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cc3ccccc3n2C)[C@H]1C ZINC001089068178 782148437 /nfs/dbraw/zinc/14/84/37/782148437.db2.gz QMUIGCHDOFGDLO-PBHICJAKSA-N 0 3 311.429 2.486 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001330047983 1149040781 /nfs/dbraw/zinc/04/07/81/1149040781.db2.gz NAMHHOIERHHKGK-ZVZYQTTQSA-N 0 3 306.450 2.206 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001330060587 1149043768 /nfs/dbraw/zinc/04/37/68/1149043768.db2.gz LFCAFQIAJCTDJZ-MAUKXSAKSA-N 0 3 313.445 2.281 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCc1c(F)cccc1F ZINC001399696804 1161528650 /nfs/dbraw/zinc/52/86/50/1161528650.db2.gz YHQMHCGZCSUIMU-GFCCVEGCSA-N 0 3 309.360 2.105 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1[nH]cnc1C(F)(F)F ZINC001378773960 1152442238 /nfs/dbraw/zinc/44/22/38/1152442238.db2.gz HSZMKJJBSXAMTF-MRVPVSSYSA-N 0 3 324.734 2.231 20 30 DEEDHN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1nc[nH]c1C(F)(F)F ZINC001378773960 1152442240 /nfs/dbraw/zinc/44/22/40/1152442240.db2.gz HSZMKJJBSXAMTF-MRVPVSSYSA-N 0 3 324.734 2.231 20 30 DEEDHN CSC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000331208785 533739784 /nfs/dbraw/zinc/73/97/84/533739784.db2.gz ZZAVXQRUJBGBBD-CHWSQXEVSA-N 0 3 315.483 2.136 20 30 DEEDHN CC(C)(C(=O)NCCN1CCCC1)c1cc(F)cc(C#N)c1 ZINC000349524040 534330413 /nfs/dbraw/zinc/33/04/13/534330413.db2.gz PTROGGODEUEDOF-UHFFFAOYSA-N 0 3 303.381 2.187 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1csnn1 ZINC001402019829 1162218467 /nfs/dbraw/zinc/21/84/67/1162218467.db2.gz BBYPIMSLDCQDMK-PWSUYJOCSA-N 0 3 314.842 2.263 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449548708 534577308 /nfs/dbraw/zinc/57/73/08/534577308.db2.gz PXXSCNFCXGRAQI-WQVCFCJDSA-N 0 3 309.431 2.474 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1[nH]cnc1C ZINC001402040580 1162225364 /nfs/dbraw/zinc/22/53/64/1162225364.db2.gz LXQZKAOFXFCRQU-YPMHNXCESA-N 0 3 310.829 2.443 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000451606655 534611369 /nfs/dbraw/zinc/61/13/69/534611369.db2.gz NKTDDROHDULKLM-OAGGEKHMSA-N 0 3 304.365 2.254 20 30 DEEDHN CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1C[C@H](C)O ZINC000249288322 523464966 /nfs/dbraw/zinc/46/49/66/523464966.db2.gz QEHZPNQWQGFWIS-RLFYNMQTSA-N 0 3 301.434 2.396 20 30 DEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1cc(C#N)cs1 ZINC000339324713 523555745 /nfs/dbraw/zinc/55/57/45/523555745.db2.gz AJSFTDFHQBUWTL-ZIAGYGMSSA-N 0 3 302.403 2.456 20 30 DEEDHN C=CCOCCCN(CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451716424 534875143 /nfs/dbraw/zinc/87/51/43/534875143.db2.gz RPYKFOHQDIUWHT-INIZCTEOSA-N 0 3 318.417 2.280 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000264377131 526435125 /nfs/dbraw/zinc/43/51/25/526435125.db2.gz HNDLJLMSNILHSQ-UHFFFAOYSA-N 0 3 316.449 2.202 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337258703 526436581 /nfs/dbraw/zinc/43/65/81/526436581.db2.gz VEDYVNWBEKVMMV-OLZOCXBDSA-N 0 3 317.380 2.096 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc3nc(C)n(C)c3c2)CC1 ZINC000332632640 526448126 /nfs/dbraw/zinc/44/81/26/526448126.db2.gz QAWWXWBJNUAOQH-UHFFFAOYSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCNC(=O)CNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000237737727 526569590 /nfs/dbraw/zinc/56/95/90/526569590.db2.gz QVYMZBFIZBQXHK-UHFFFAOYSA-N 0 3 321.852 2.196 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CCO)CC2)CC1 ZINC000422167517 526585410 /nfs/dbraw/zinc/58/54/10/526585410.db2.gz RMEXXUIXOAZUCC-INIZCTEOSA-N 0 3 323.481 2.221 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000413248611 526591041 /nfs/dbraw/zinc/59/10/41/526591041.db2.gz XMECRHRIOYKGNH-ZNMIVQPWSA-N 0 3 309.454 2.140 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000413249908 526593353 /nfs/dbraw/zinc/59/33/53/526593353.db2.gz ZUQSHIGLHIHVCC-HUUCEWRRSA-N 0 3 303.406 2.475 20 30 DEEDHN C#CCCN1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000299594405 526727599 /nfs/dbraw/zinc/72/75/99/526727599.db2.gz IHYIZSIPMTWNPD-UHFFFAOYSA-N 0 3 319.836 2.310 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCOc3c(C)cccc32)CC1 ZINC000189596694 526929927 /nfs/dbraw/zinc/92/99/27/526929927.db2.gz DFVBLXDCRIIYNO-QGZVFWFLSA-N 0 3 312.413 2.280 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000174554878 526930536 /nfs/dbraw/zinc/93/05/36/526930536.db2.gz ZCGHMNRLDANBMT-IAGOWNOFSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000369122620 526976356 /nfs/dbraw/zinc/97/63/56/526976356.db2.gz SFEZKVMRLRWKKE-GDBMZVCRSA-N 0 3 308.447 2.298 20 30 DEEDHN C#CCOc1ccc(CNCCNC(=O)[C@H](C)CCC)cc1 ZINC000292619611 527103985 /nfs/dbraw/zinc/10/39/85/527103985.db2.gz IQMBMDIVLJJHQN-OAHLLOKOSA-N 0 3 302.418 2.341 20 30 DEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000341434587 527148294 /nfs/dbraw/zinc/14/82/94/527148294.db2.gz KEEIQSHWZKRDJE-HOTGVXAUSA-N 0 3 322.497 2.151 20 30 DEEDHN CC(C)(COCc1ccccc1)NCC(=O)NC1(C#N)CCC1 ZINC000337285534 527223011 /nfs/dbraw/zinc/22/30/11/527223011.db2.gz FTXHPFDPKQZJFH-UHFFFAOYSA-N 0 3 315.417 2.134 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000373217851 527287213 /nfs/dbraw/zinc/28/72/13/527287213.db2.gz SFSPJYYMBRYERH-IRXDYDNUSA-N 0 3 322.497 2.153 20 30 DEEDHN C#Cc1ccc(CN2CCC(NC(=O)c3cc(C)on3)CC2)cc1 ZINC000368030970 527434077 /nfs/dbraw/zinc/43/40/77/527434077.db2.gz QZTKXDXIOTVPQA-UHFFFAOYSA-N 0 3 323.396 2.359 20 30 DEEDHN C=C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000378274560 527576637 /nfs/dbraw/zinc/57/66/37/527576637.db2.gz REMMYRHGSKOCLE-BPQIPLTHSA-N 0 3 314.429 2.326 20 30 DEEDHN CCC1CCC(N(C)CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000330615803 527841148 /nfs/dbraw/zinc/84/11/48/527841148.db2.gz UNSVUEQXKDXHKO-UHFFFAOYSA-N 0 3 323.359 2.480 20 30 DEEDHN CCN(CCNS(=O)(=O)CC1(C#N)CCCCC1)C(C)C ZINC000444178489 528508326 /nfs/dbraw/zinc/50/83/26/528508326.db2.gz WWAWMCUPNJEQMJ-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN CC1(C)CCCN(CCNC(=O)NCC#Cc2ccccc2)C1 ZINC000444885180 528933803 /nfs/dbraw/zinc/93/38/03/528933803.db2.gz NCVHXWUITXGTCI-UHFFFAOYSA-N 0 3 313.445 2.459 20 30 DEEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000358793796 535634377 /nfs/dbraw/zinc/63/43/77/535634377.db2.gz ROZLFHXQNXHXOD-UPJWGTAASA-N 0 3 317.389 2.063 20 30 DEEDHN CC[C@H]1CN(CC)CCN1CCOc1ccc(C#N)cc1OC ZINC000451728832 536141475 /nfs/dbraw/zinc/14/14/75/536141475.db2.gz HWPVFCGYFMBRRH-INIZCTEOSA-N 0 3 317.433 2.362 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)CCc1ccnc(C)n1)C(C)C ZINC001378964816 1152509282 /nfs/dbraw/zinc/50/92/82/1152509282.db2.gz GOHLZTXHLPGBKG-HNNXBMFYSA-N 0 3 324.856 2.201 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000835061484 649874061 /nfs/dbraw/zinc/87/40/61/649874061.db2.gz LTEOXUQREXXWCC-ZIAGYGMSSA-N 0 3 304.346 2.158 20 30 DEEDHN C=C(C)CN1Cc2ccc(CNC(=O)CN3CCCC3)cc2C1 ZINC001327696884 1148625979 /nfs/dbraw/zinc/62/59/79/1148625979.db2.gz YZCSISQQVHFNOK-UHFFFAOYSA-N 0 3 313.445 2.290 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@H](NCc2cn(C)nc2C)[C@@H](C)C1 ZINC001327861028 1148661195 /nfs/dbraw/zinc/66/11/95/1148661195.db2.gz MUSMRARMSBTIJD-BBRMVZONSA-N 0 3 318.465 2.267 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001368807304 1148677290 /nfs/dbraw/zinc/67/72/90/1148677290.db2.gz BTNPHKMVHLAOFG-UHFFFAOYSA-N 0 3 311.788 2.000 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H](C)OCC1CC1 ZINC001379346291 1152612721 /nfs/dbraw/zinc/61/27/21/1152612721.db2.gz WEFCJXJUXKDOOG-VXGBXAGGSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CCCOCC1 ZINC001379349786 1152613464 /nfs/dbraw/zinc/61/34/64/1152613464.db2.gz JJZQWIHEDXGCCB-OLZOCXBDSA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1ccoc1CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001379416982 1152621490 /nfs/dbraw/zinc/62/14/90/1152621490.db2.gz IGJMDYIJWYQXHG-GFCCVEGCSA-N 0 3 317.414 2.358 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)CC(F)F)C[C@]2(C)C1 ZINC001330528477 1149181822 /nfs/dbraw/zinc/18/18/22/1149181822.db2.gz IBKMLJSVALUYCM-RRQGHBQHSA-N 0 3 312.404 2.471 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000835341566 649908633 /nfs/dbraw/zinc/90/86/33/649908633.db2.gz VFPHKPQKZKTHSG-TZMCWYRMSA-N 0 3 324.327 2.105 20 30 DEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000835341183 649908431 /nfs/dbraw/zinc/90/84/31/649908431.db2.gz SGDXLLLNMHTHCA-ZIAGYGMSSA-N 0 3 322.792 2.480 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccccc3CC)[C@@H]2C1 ZINC000978646711 634384087 /nfs/dbraw/zinc/38/40/87/634384087.db2.gz ZRECEFCVFHMQBJ-LJDSDSDDSA-N 0 3 322.452 2.280 20 30 DEEDHN C#CCCC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823840765 608357767 /nfs/dbraw/zinc/35/77/67/608357767.db2.gz FJWOYEVNXLAPMN-UHFFFAOYSA-N 0 3 311.389 2.123 20 30 DEEDHN C=CCCOCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823899104 608523757 /nfs/dbraw/zinc/52/37/57/608523757.db2.gz LNNCKNOBRUZPOL-MRXNPFEDSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CCCOCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823899104 608523758 /nfs/dbraw/zinc/52/37/58/608523758.db2.gz LNNCKNOBRUZPOL-MRXNPFEDSA-N 0 3 313.405 2.426 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2onc3c2CCCC3)C1 ZINC001023487286 625295142 /nfs/dbraw/zinc/29/51/42/625295142.db2.gz DJOLWYJTGMYAQE-CYBMUJFWSA-N 0 3 303.406 2.181 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3ccccc3nn2)C1 ZINC001023525404 625309310 /nfs/dbraw/zinc/30/93/10/625309310.db2.gz STRLVFWZQDZCQS-OAHLLOKOSA-N 0 3 322.412 2.095 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001023530359 625311177 /nfs/dbraw/zinc/31/11/77/625311177.db2.gz OFOOICGWMFPEKP-ZIAGYGMSSA-N 0 3 319.405 2.154 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CCCN(C[C@@H](F)CC)C2)c1 ZINC001023584004 625333000 /nfs/dbraw/zinc/33/30/00/625333000.db2.gz SURCPVJPLDTZCH-RDJZCZTQSA-N 0 3 317.408 2.253 20 30 DEEDHN C#CCCCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C 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30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001022202361 624497402 /nfs/dbraw/zinc/49/74/02/624497402.db2.gz XJSDRRJGVLVFGB-PHIMTYICSA-N 0 3 324.837 2.307 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000971771286 624544102 /nfs/dbraw/zinc/54/41/02/624544102.db2.gz HQWMDAQHWFKKBG-SJLPKXTDSA-N 0 3 313.445 2.232 20 30 DEEDHN Cc1cc(C#N)nc(NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000891753112 624579712 /nfs/dbraw/zinc/57/97/12/624579712.db2.gz RYTFPWFANOHKAE-GOSISDBHSA-N 0 3 322.412 2.093 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000998745612 634393172 /nfs/dbraw/zinc/39/31/72/634393172.db2.gz JCMZLDHDKPQNEN-ZBFHGGJFSA-N 0 3 314.433 2.445 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998749835 634395013 /nfs/dbraw/zinc/39/50/13/634395013.db2.gz CGTUNRFFDQERQE-CJNGLKHVSA-N 0 3 317.437 2.013 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC000971829853 624622956 /nfs/dbraw/zinc/62/29/56/624622956.db2.gz UKTGBIFLLHPIFI-HIFRSBDPSA-N 0 3 304.438 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001022428321 624650015 /nfs/dbraw/zinc/65/00/15/624650015.db2.gz VIDCMTWBCZQEKK-OCAPTIKFSA-N 0 3 306.218 2.399 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC(NCC(=C)Cl)C1 ZINC000998787100 634402650 /nfs/dbraw/zinc/40/26/50/634402650.db2.gz DDRMSEPEHKGINP-CVSAEHQPSA-N 0 3 312.841 2.299 20 30 DEEDHN C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1cncs1 ZINC000934193144 624776190 /nfs/dbraw/zinc/77/61/90/624776190.db2.gz DBKBPWIUQBZMFO-JSGCOSHPSA-N 0 3 317.414 2.300 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000972057933 624810210 /nfs/dbraw/zinc/81/02/10/624810210.db2.gz CWVDXJIYYZVQQX-DOTOQJQBSA-N 0 3 300.402 2.019 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(CO)cc2)C1 ZINC000972083341 624828347 /nfs/dbraw/zinc/82/83/47/624828347.db2.gz XNZROSIHRDTOKB-KRWDZBQOSA-N 0 3 316.445 2.424 20 30 DEEDHN CC[C@@H](F)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972095736 624834435 /nfs/dbraw/zinc/83/44/35/624834435.db2.gz RWFLFZVXHVWGOL-JKSUJKDBSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001024745241 625026630 /nfs/dbraw/zinc/02/66/30/625026630.db2.gz RERXAUNJXGOPMV-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001022865599 625042504 /nfs/dbraw/zinc/04/25/04/625042504.db2.gz AAJYHUIYDSPGQK-IJEWVQPXSA-N 0 3 320.820 2.370 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000947519139 625076892 /nfs/dbraw/zinc/07/68/92/625076892.db2.gz CHAJBUGGWMUNDX-WBVHZDCISA-N 0 3 314.429 2.148 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1cccc(Cl)n1 ZINC001024902654 625101911 /nfs/dbraw/zinc/10/19/11/625101911.db2.gz WNQZACOERAPSJQ-GXTWGEPZSA-N 0 3 320.824 2.365 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNCc2cccnc2)c1 ZINC001024916605 625106789 /nfs/dbraw/zinc/10/67/89/625106789.db2.gz SIUDLDWZOAWYFZ-MRXNPFEDSA-N 0 3 323.400 2.066 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC001022997215 625129029 /nfs/dbraw/zinc/12/90/29/625129029.db2.gz HKIMUWROORRWSQ-TXEJJXNPSA-N 0 3 318.808 2.176 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001023001683 625129954 /nfs/dbraw/zinc/12/99/54/625129954.db2.gz WONXEACBTWSEOM-PHIMTYICSA-N 0 3 300.189 2.338 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC000972506179 625148153 /nfs/dbraw/zinc/14/81/53/625148153.db2.gz GMTUEYRIOKGAJQ-OAHLLOKOSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001026147541 625156605 /nfs/dbraw/zinc/15/66/05/625156605.db2.gz QLEDMXVAFAPOML-QVDCYYDOSA-N 0 3 318.367 2.301 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CCc3ccccc32)C1 ZINC001023104383 625157310 /nfs/dbraw/zinc/15/73/10/625157310.db2.gz LSPQYVXGIHANGW-GASCZTMLSA-N 0 3 319.836 2.038 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)nn(CC)c2Cl)C1 ZINC001027688360 634441076 /nfs/dbraw/zinc/44/10/76/634441076.db2.gz IOWHZFNTAKBGGD-CYBMUJFWSA-N 0 3 322.840 2.034 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@H](CNC(=O)c3cocn3)C2)c1 ZINC001023261317 625199234 /nfs/dbraw/zinc/19/92/34/625199234.db2.gz HBTJJMHBJIIJKU-INIZCTEOSA-N 0 3 324.384 2.188 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001023379603 625245666 /nfs/dbraw/zinc/24/56/66/625245666.db2.gz LFIUJLHBWORMQT-CQSZACIVSA-N 0 3 316.449 2.172 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001023385831 625248311 /nfs/dbraw/zinc/24/83/11/625248311.db2.gz ZGPSCYJQDMEDPW-INIZCTEOSA-N 0 3 314.429 2.387 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2nc3cccnc3s2)C1 ZINC001023416507 625260652 /nfs/dbraw/zinc/26/06/52/625260652.db2.gz BFKAATQOMOJQSD-LBPRGKRZSA-N 0 3 316.430 2.319 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1O ZINC001025201231 625262372 /nfs/dbraw/zinc/26/23/72/625262372.db2.gz KBGFQTFPYOSUQK-IAGOWNOFSA-N 0 3 312.413 2.485 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001023434310 625267287 /nfs/dbraw/zinc/26/72/87/625267287.db2.gz IAOKSKXEFBYMHZ-SNVBAGLBSA-N 0 3 317.311 2.321 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCOCC1 ZINC001025213703 625271033 /nfs/dbraw/zinc/27/10/33/625271033.db2.gz NWEQGHGVQKHEKN-QZTJIDSGSA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCCCN(CC)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000893239106 625272421 /nfs/dbraw/zinc/27/24/21/625272421.db2.gz YKXNGDRUNHRWRD-QGZVFWFLSA-N 0 3 324.513 2.258 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001023461312 625279269 /nfs/dbraw/zinc/27/92/69/625279269.db2.gz SKTUHJJYGMIYHM-CQSZACIVSA-N 0 3 316.449 2.172 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001027695079 634449973 /nfs/dbraw/zinc/44/99/73/634449973.db2.gz NFBLTNZKMNTNTJ-LRVUVFPRSA-N 0 3 314.351 2.275 20 30 DEEDHN Cn1ccc(C(=O)N2CC[C@@H](CNCc3ccccc3C#N)C2)c1 ZINC001026778802 625766074 /nfs/dbraw/zinc/76/60/74/625766074.db2.gz CXKQUIKGTSOUPX-HNNXBMFYSA-N 0 3 322.412 2.149 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001024478919 625804907 /nfs/dbraw/zinc/80/49/07/625804907.db2.gz VSRASILJZLYPFR-HNNXBMFYSA-N 0 3 315.417 2.435 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC001024491823 625813891 /nfs/dbraw/zinc/81/38/91/625813891.db2.gz GDWOVIHBLYOEKN-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001024500799 625819101 /nfs/dbraw/zinc/81/91/01/625819101.db2.gz VKKDGLCTSDBZPF-AWEZNQCLSA-N 0 3 305.447 2.368 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001024508450 625825152 /nfs/dbraw/zinc/82/51/52/625825152.db2.gz JTYDOQADYICCIJ-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001024522447 625835951 /nfs/dbraw/zinc/83/59/51/625835951.db2.gz GJLCMRMVMBJKQL-CQSZACIVSA-N 0 3 316.449 2.449 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnn(C)c1CC ZINC001024528594 625845489 /nfs/dbraw/zinc/84/54/89/625845489.db2.gz LDXJPJCLZNYODT-AWEZNQCLSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001024531826 625848231 /nfs/dbraw/zinc/84/82/31/625848231.db2.gz XBFOFLXHJWXZBU-HNNXBMFYSA-N 0 3 312.417 2.495 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001024552380 625870341 /nfs/dbraw/zinc/87/03/41/625870341.db2.gz GQJYIDNSHRYPSP-CQSZACIVSA-N 0 3 310.401 2.171 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC000999011530 634460867 /nfs/dbraw/zinc/46/08/67/634460867.db2.gz NKGPCYOYCXJFRB-JXQTWKCFSA-N 0 3 322.840 2.092 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCn3nccc32)C1 ZINC000999011533 634460911 /nfs/dbraw/zinc/46/09/11/634460911.db2.gz NKGPCYOYCXJFRB-RUXDESIVSA-N 0 3 322.840 2.092 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001027704030 634465868 /nfs/dbraw/zinc/46/58/68/634465868.db2.gz JJQCLTPEBCZAON-CQSZACIVSA-N 0 3 313.376 2.477 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001024652222 625952541 /nfs/dbraw/zinc/95/25/41/625952541.db2.gz JUQOLENBJPKRKB-AEFFLSMTSA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024652630 625953285 /nfs/dbraw/zinc/95/32/85/625953285.db2.gz RBGSYRDNCVCWCY-BZUAXINKSA-N 0 3 316.449 2.070 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC4CCC3CC4)[C@@H]2C1 ZINC000979115296 634505322 /nfs/dbraw/zinc/50/53/22/634505322.db2.gz WSSYIMUHJYQYJF-FOYUHDTOSA-N 0 3 300.446 2.130 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000999439069 634592747 /nfs/dbraw/zinc/59/27/47/634592747.db2.gz ZUWRLQWDJWXHPC-UHFFFAOYSA-N 0 3 310.829 2.478 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@@H]([C@H](C)NCc2cncs2)C1 ZINC000979372290 634597371 /nfs/dbraw/zinc/59/73/71/634597371.db2.gz HBMJFMWZPUJODJ-GXTWGEPZSA-N 0 3 323.462 2.061 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000999560396 634629073 /nfs/dbraw/zinc/62/90/73/634629073.db2.gz IIMCTCJKKPNSPY-FNBIGBAISA-N 0 3 324.856 2.462 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2CCCOC2)C1 ZINC000999844030 634685229 /nfs/dbraw/zinc/68/52/29/634685229.db2.gz NUHAETOXWFRRHN-IYXRBSQSSA-N 0 3 300.830 2.135 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999875971 634697531 /nfs/dbraw/zinc/69/75/31/634697531.db2.gz JPANXECZJRVTBS-CQSZACIVSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C1CCC(C(=O)N2CCC[C@H](NCc3cncn3C)C2)CC1 ZINC001000076583 634733466 /nfs/dbraw/zinc/73/34/66/634733466.db2.gz GQBKZISZMAGIKJ-INIZCTEOSA-N 0 3 316.449 2.247 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C4CC4)on3)CC2)CC1 ZINC001000222424 634800077 /nfs/dbraw/zinc/80/00/77/634800077.db2.gz JGQRZHQOYYIOJJ-UHFFFAOYSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ccc4c(c3)CCO4)CC2)CC1 ZINC001000260199 634828595 /nfs/dbraw/zinc/82/85/95/634828595.db2.gz RKCXZSLMPHBROY-UHFFFAOYSA-N 0 3 324.424 2.229 20 30 DEEDHN C=CCC1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000836283749 650074986 /nfs/dbraw/zinc/07/49/86/650074986.db2.gz NHBNABVZHUCIQT-HZPDHXFCSA-N 0 3 321.465 2.285 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2N(C)C)[C@@H](C)C1 ZINC000945807402 633005530 /nfs/dbraw/zinc/00/55/30/633005530.db2.gz JBPDJQYGDNZZEJ-DOTOQJQBSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cccnc3n2)C(C)(C)C1 ZINC000974611130 633181716 /nfs/dbraw/zinc/18/17/16/633181716.db2.gz JASIYIRDXJKSQU-INIZCTEOSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)C[C@@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000974628725 633183534 /nfs/dbraw/zinc/18/35/34/633183534.db2.gz FITOSFJKQFWPRL-DOTOQJQBSA-N 0 3 314.429 2.393 20 30 DEEDHN N#Cc1cccnc1OC1CCC(Nc2ccncc2CO)CC1 ZINC000893384533 633194710 /nfs/dbraw/zinc/19/47/10/633194710.db2.gz TZKCESLZDZPEOT-UHFFFAOYSA-N 0 3 324.384 2.065 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3csnc3C)C[C@]2(C)C1 ZINC000982262072 635929345 /nfs/dbraw/zinc/92/93/45/635929345.db2.gz MOIPFLVDYZPUKH-IYBDPMFKSA-N 0 3 305.447 2.422 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccsc2COC)C(C)(C)C1 ZINC000974733665 633272461 /nfs/dbraw/zinc/27/24/61/633272461.db2.gz JJVXRGLFUAUDDL-HNNXBMFYSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(CCCC)c2CC)C1 ZINC001015965817 633328785 /nfs/dbraw/zinc/32/87/85/633328785.db2.gz VXDVGJVCTPSJPK-HNNXBMFYSA-N 0 3 316.449 2.073 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001026988511 633333813 /nfs/dbraw/zinc/33/38/13/633333813.db2.gz IEOGAHWKVYYQFU-CYBMUJFWSA-N 0 3 321.421 2.224 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001027038391 633371541 /nfs/dbraw/zinc/37/15/41/633371541.db2.gz LNFBPOIJXZKVOX-CRAIPNDOSA-N 0 3 318.465 2.269 20 30 DEEDHN C=CC[C@@H](NC(=O)NCCN1CCCCC1)c1ccncc1 ZINC000734652926 633411178 /nfs/dbraw/zinc/41/11/78/633411178.db2.gz VWACSRXNAZQKOJ-MRXNPFEDSA-N 0 3 302.422 2.484 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C(C)(C)C1 ZINC000975087663 633414470 /nfs/dbraw/zinc/41/44/70/633414470.db2.gz YWDGOYFVWDOYSQ-CQSZACIVSA-N 0 3 303.406 2.112 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)c2ccoc2)CC1 ZINC000125025689 633491564 /nfs/dbraw/zinc/49/15/64/633491564.db2.gz YSWWJRBJDXLAAR-UHFFFAOYSA-N 0 3 313.195 2.382 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2nccc3[nH]ccc32)CC1 ZINC000997304634 633703699 /nfs/dbraw/zinc/70/36/99/633703699.db2.gz XLFUDDJTWILNTD-CQSZACIVSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001027411279 633748726 /nfs/dbraw/zinc/74/87/26/633748726.db2.gz OCWAICAFNZYYSC-CHWSQXEVSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c[nH]c3ncccc23)CC1 ZINC000997424473 633759927 /nfs/dbraw/zinc/75/99/27/633759927.db2.gz MNFWKRFASFZHLS-CYBMUJFWSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000946178773 633785608 /nfs/dbraw/zinc/78/56/08/633785608.db2.gz MQACEABHFOEXEM-MLGOLLRUSA-N 0 3 313.376 2.380 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001027463672 633833036 /nfs/dbraw/zinc/83/30/36/633833036.db2.gz GNUZNFFNBSNAAS-ZIAGYGMSSA-N 0 3 301.862 2.002 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001027464292 633833574 /nfs/dbraw/zinc/83/35/74/633833574.db2.gz LAGLVNNVOJZUSK-INIZCTEOSA-N 0 3 313.445 2.224 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)ccc2OC)C1 ZINC001027482565 633866929 /nfs/dbraw/zinc/86/69/29/633866929.db2.gz DSSDQCJMCXYJIM-OAHLLOKOSA-N 0 3 300.402 2.173 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(OC)cc2F)C1 ZINC001027484018 633868730 /nfs/dbraw/zinc/86/87/30/633868730.db2.gz VDUXPMODBZFVSQ-CYBMUJFWSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000997641348 633908131 /nfs/dbraw/zinc/90/81/31/633908131.db2.gz XYTAJXLIVXUIHV-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccncc2OC(C)C)C1 ZINC001027506751 633931043 /nfs/dbraw/zinc/93/10/43/633931043.db2.gz AXHDXUFOGHYJOI-HNNXBMFYSA-N 0 3 315.417 2.038 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001027510767 633940522 /nfs/dbraw/zinc/94/05/22/633940522.db2.gz FXFWBWGKNFYYDZ-MRXNPFEDSA-N 0 3 311.429 2.437 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2OC)C1 ZINC001027514590 633963632 /nfs/dbraw/zinc/96/36/32/633963632.db2.gz NPSQGXSUIRCMKN-AWEZNQCLSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C2Cc3ccccc3C2)CC1 ZINC000997773034 633969080 /nfs/dbraw/zinc/96/90/80/633969080.db2.gz OPGMNRJAILNYCV-HNNXBMFYSA-N 0 3 310.441 2.251 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn3c2CCCC3)C(C)(C)C1 ZINC000977416860 633976091 /nfs/dbraw/zinc/97/60/91/633976091.db2.gz FRZGJGKYMOJJJU-MRXNPFEDSA-N 0 3 316.449 2.236 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(CCC)on2)CC1 ZINC000997816560 633998711 /nfs/dbraw/zinc/99/87/11/633998711.db2.gz IOMUUOQFALEXEY-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(N(C)C)c2)C(C)(C)C1 ZINC000977509404 634019880 /nfs/dbraw/zinc/01/98/80/634019880.db2.gz BJVZXYAMYSWUQB-QGZVFWFLSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C)n2C)CC1 ZINC000997917071 634054334 /nfs/dbraw/zinc/05/43/34/634054334.db2.gz SCHOWRXMMQMYBR-INIZCTEOSA-N 0 3 301.434 2.283 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C(C)(C)C1 ZINC000977615755 634066460 /nfs/dbraw/zinc/06/64/60/634066460.db2.gz MLKBNTIARMGYGT-CQSZACIVSA-N 0 3 317.433 2.420 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ncoc2CC)CC1 ZINC000997949169 634074284 /nfs/dbraw/zinc/07/42/84/634074284.db2.gz LEXXWPIUPJVIEU-CQSZACIVSA-N 0 3 303.406 2.187 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cnnc(C)c2)CC1 ZINC000997992261 634097306 /nfs/dbraw/zinc/09/73/06/634097306.db2.gz LNVGAPQETUKTIN-QGZVFWFLSA-N 0 3 314.433 2.125 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2c(C)ncn2C)CC1 ZINC000998039251 634120340 /nfs/dbraw/zinc/12/03/40/634120340.db2.gz DPCYLQXSAZMMPE-INIZCTEOSA-N 0 3 316.449 2.068 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cnccn3)CC[C@@H]2C1 ZINC000946460014 634130133 /nfs/dbraw/zinc/13/01/33/634130133.db2.gz CWCSTGDZNJIKEQ-OKILXGFUSA-N 0 3 320.824 2.013 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027575653 634181127 /nfs/dbraw/zinc/18/11/27/634181127.db2.gz BTNJMJLYSFFNRD-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@H]1C(F)(F)F ZINC000998238849 634182213 /nfs/dbraw/zinc/18/22/13/634182213.db2.gz PQWLHXYZDYAIFD-GHMZBOCLSA-N 0 3 320.355 2.157 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccsn2)CC[C@H]1C(F)(F)F ZINC000998264050 634194049 /nfs/dbraw/zinc/19/40/49/634194049.db2.gz AOHNYOMRBLJDQU-MWLCHTKSSA-N 0 3 319.352 2.312 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C(F)F)ccc3F)[C@@H]2C1 ZINC000978140209 634220157 /nfs/dbraw/zinc/22/01/57/634220157.db2.gz GCAZMYGMWNLCOM-ZSOGYDGISA-N 0 3 322.330 2.304 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 ZINC001027605344 634268709 /nfs/dbraw/zinc/26/87/09/634268709.db2.gz PNUCFAFESTVUCF-LBPRGKRZSA-N 0 3 310.850 2.500 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnc(C(C)C)nc2C)C1 ZINC001027605556 634268935 /nfs/dbraw/zinc/26/89/35/634268935.db2.gz RQPIUWLEYNNLBK-HNNXBMFYSA-N 0 3 314.433 2.078 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)C[C@H]1C ZINC000947947625 634292090 /nfs/dbraw/zinc/29/20/90/634292090.db2.gz HLEQLETWCARIGL-CABCVRRESA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)nc2)C1 ZINC001027618648 634299120 /nfs/dbraw/zinc/29/91/20/634299120.db2.gz NOWKMIDHUJYVNV-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(CCCC)nc2C)C1 ZINC001027643151 634374107 /nfs/dbraw/zinc/37/41/07/634374107.db2.gz GRECXIZEQYYWDX-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccnnc3)C[C@H]2C1 ZINC000980181452 634877151 /nfs/dbraw/zinc/87/71/51/634877151.db2.gz HHFXSUJWZRTSGY-SOUVJXGZSA-N 0 3 320.824 2.059 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccn(C)n3)C[C@@H]2C1 ZINC000980240439 634913230 /nfs/dbraw/zinc/91/32/30/634913230.db2.gz PHDZGISXSQIWQV-BFHYXJOUSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccn(C)n3)C[C@H]2C1 ZINC000980240440 634913525 /nfs/dbraw/zinc/91/35/25/634913525.db2.gz PHDZGISXSQIWQV-IHRRRGAJSA-N 0 3 322.840 2.003 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ncccc2OC(C)C)C1 ZINC000980290187 634932155 /nfs/dbraw/zinc/93/21/55/634932155.db2.gz ZXJODQKWWBEZQV-AWEZNQCLSA-N 0 3 303.406 2.201 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001027926163 634984239 /nfs/dbraw/zinc/98/42/39/634984239.db2.gz LFNDGQINDIOIQF-ZDUSSCGKSA-N 0 3 307.344 2.237 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001027926433 634984586 /nfs/dbraw/zinc/98/45/86/634984586.db2.gz CAMPBIDADNKTPP-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c(C)nn(CC)c2Cl)C1 ZINC000980438137 635005215 /nfs/dbraw/zinc/00/52/15/635005215.db2.gz IPLFZVIPASXFSU-GFCCVEGCSA-N 0 3 310.829 2.197 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001027938255 635012972 /nfs/dbraw/zinc/01/29/72/635012972.db2.gz WNEGWHCVAZNRHM-DOTOQJQBSA-N 0 3 314.429 2.492 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001027942200 635028991 /nfs/dbraw/zinc/02/89/91/635028991.db2.gz YXBYPOPJJFMPIQ-MRXNPFEDSA-N 0 3 324.428 2.169 20 30 DEEDHN C[C@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)C#CC1CC1 ZINC000980574283 635048226 /nfs/dbraw/zinc/04/82/26/635048226.db2.gz HHIIVRJSWDIJNJ-RDJZCZTQSA-N 0 3 321.424 2.298 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001027963668 635096380 /nfs/dbraw/zinc/09/63/80/635096380.db2.gz COTRSALGWCPCBJ-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001028008895 635235532 /nfs/dbraw/zinc/23/55/32/635235532.db2.gz FSWVEFHFWACFLU-SJORKVTESA-N 0 3 314.429 2.394 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001028022772 635279566 /nfs/dbraw/zinc/27/95/66/635279566.db2.gz NGFGMRGQXGEBNJ-HNNXBMFYSA-N 0 3 300.402 2.140 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001028034179 635332357 /nfs/dbraw/zinc/33/23/57/635332357.db2.gz MUHXFGGJDRRDSM-ZBFHGGJFSA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC001000928206 635354394 /nfs/dbraw/zinc/35/43/94/635354394.db2.gz VATAFZKWJYQMSA-KRWDZBQOSA-N 0 3 312.413 2.172 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2ncnc3sccc32)CC1 ZINC000981197972 635361773 /nfs/dbraw/zinc/36/17/73/635361773.db2.gz TXXWGLXDAPOOOS-UHFFFAOYSA-N 0 3 316.430 2.415 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C#CC1CC1 ZINC000837373851 650191698 /nfs/dbraw/zinc/19/16/98/650191698.db2.gz ZQESRTZKZFJUOX-UHFFFAOYSA-N 0 3 306.356 2.268 20 30 DEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000921820108 635402356 /nfs/dbraw/zinc/40/23/56/635402356.db2.gz RYAZMLYUABCCEB-WBVHZDCISA-N 0 3 314.433 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001028070454 635405558 /nfs/dbraw/zinc/40/55/58/635405558.db2.gz DPRCANUMUPIZQN-GFCCVEGCSA-N 0 3 322.355 2.191 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001001396046 635476943 /nfs/dbraw/zinc/47/69/43/635476943.db2.gz CYUYAPCPWQGWEW-UHFFFAOYSA-N 0 3 313.401 2.193 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2nc(C(C)C)oc2C)CC1 ZINC001001402265 635480999 /nfs/dbraw/zinc/48/09/99/635480999.db2.gz NSUKOWYPLDQMHP-UHFFFAOYSA-N 0 3 303.406 2.181 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc(OC)c2OC)CC1 ZINC001001402610 635483582 /nfs/dbraw/zinc/48/35/82/635483582.db2.gz VZLGAFJJMGWZOL-UHFFFAOYSA-N 0 3 316.401 2.252 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cccc3scnc32)CC1 ZINC001001403697 635487871 /nfs/dbraw/zinc/48/78/71/635487871.db2.gz BPAYMPVDMIBULZ-UHFFFAOYSA-N 0 3 313.426 2.371 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(COC)cc2)CC1 ZINC001001435402 635498619 /nfs/dbraw/zinc/49/86/19/635498619.db2.gz DUSWJXSGTSIZRV-UHFFFAOYSA-N 0 3 300.402 2.381 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c3c2CCCC3)C[C@@H]1C ZINC000947732106 635517853 /nfs/dbraw/zinc/51/78/53/635517853.db2.gz WLCRMBGWIUVKTH-UONOGXRCSA-N 0 3 316.449 2.068 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nn(C)c3c2CCCC3)C[C@H]1C ZINC000947732107 635517896 /nfs/dbraw/zinc/51/78/96/635517896.db2.gz WLCRMBGWIUVKTH-ZIAGYGMSSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccccc2OCC=C)CC1 ZINC001001550118 635526125 /nfs/dbraw/zinc/52/61/25/635526125.db2.gz XICQCDLJYVWCHV-UHFFFAOYSA-N 0 3 312.413 2.326 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccn(CC)c2C)CC1 ZINC001001752280 635548991 /nfs/dbraw/zinc/54/89/91/635548991.db2.gz ZQAYFJPCSSVDTJ-UHFFFAOYSA-N 0 3 301.434 2.282 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2c(F)cc(OC)cc2F)CC1 ZINC001001868388 635565236 /nfs/dbraw/zinc/56/52/36/635565236.db2.gz BYSLCDRJUVCGGB-UHFFFAOYSA-N 0 3 322.355 2.048 20 30 DEEDHN C#CCOc1ccc(C(=O)NCC2CCN(CC#CC)CC2)cc1 ZINC001001915887 635575882 /nfs/dbraw/zinc/57/58/82/635575882.db2.gz SRPKRQHJGLWACA-UHFFFAOYSA-N 0 3 324.424 2.164 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3ccncc3F)C2)C1 ZINC000981686172 635594177 /nfs/dbraw/zinc/59/41/77/635594177.db2.gz LHMJADBOTMVBKN-UHFFFAOYSA-N 0 3 303.381 2.335 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC001002006500 635600856 /nfs/dbraw/zinc/60/08/56/635600856.db2.gz UVSIZNMVKAKUTR-PZJWPPBQSA-N 0 3 322.452 2.352 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(OC)cc2)CC1 ZINC001002069114 635612136 /nfs/dbraw/zinc/61/21/36/635612136.db2.gz GSLDATSELWYTDH-UHFFFAOYSA-N 0 3 300.402 2.160 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000981721344 635613204 /nfs/dbraw/zinc/61/32/04/635613204.db2.gz COFVHZIRTLXNMD-UHFFFAOYSA-N 0 3 323.396 2.112 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccc(N(C)C)c2)CC1 ZINC001002076882 635614498 /nfs/dbraw/zinc/61/44/98/635614498.db2.gz JUHYAQRLADKCRV-UHFFFAOYSA-N 0 3 313.445 2.218 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(C)cc2OC)CC1 ZINC001002054402 635615135 /nfs/dbraw/zinc/61/51/35/635615135.db2.gz DDKRSQAVAMVDFI-UHFFFAOYSA-N 0 3 300.402 2.079 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)CC1 ZINC001002093726 635617939 /nfs/dbraw/zinc/61/79/39/635617939.db2.gz SNVKDZAXALCHKM-KRWDZBQOSA-N 0 3 316.832 2.441 20 30 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CC#CCN1CC[C@H](CNC(=O)c2noc3c2CCCCC3)C1 ZINC001028840025 636778791 /nfs/dbraw/zinc/77/87/91/636778791.db2.gz SMMGKMRWEVAHAN-CQSZACIVSA-N 0 3 315.417 2.019 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cn3c(n2)CC[C@@H](C)C3)CC1 ZINC001005581372 636786141 /nfs/dbraw/zinc/78/61/41/636786141.db2.gz MOJLSBCISRRELN-CQSZACIVSA-N 0 3 316.449 2.188 20 30 DEEDHN C=CCN1CCC(NC(=O)C(F)(F)c2nccs2)CC1 ZINC000756473017 636805734 /nfs/dbraw/zinc/80/57/34/636805734.db2.gz FZBUGVJUSIMHRJ-UHFFFAOYSA-N 0 3 301.362 2.002 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001028898422 636827069 /nfs/dbraw/zinc/82/70/69/636827069.db2.gz JDBIAPMVADPZTP-CQSZACIVSA-N 0 3 309.369 2.027 20 30 DEEDHN CCN1CC[C@H](NC(=O)NC(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000922908282 636848616 /nfs/dbraw/zinc/84/86/16/636848616.db2.gz KEHSHBKCRMHMIM-INIZCTEOSA-N 0 3 314.433 2.273 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001028961307 636897224 /nfs/dbraw/zinc/89/72/24/636897224.db2.gz VTUNBIKYIQFVIQ-LRDDRELGSA-N 0 3 302.805 2.051 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001028976300 636918326 /nfs/dbraw/zinc/91/83/26/636918326.db2.gz HTEFNDYEJBULGX-QGZVFWFLSA-N 0 3 314.429 2.297 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cncc3ccccc32)C1 ZINC001029002706 636945515 /nfs/dbraw/zinc/94/55/15/636945515.db2.gz WSZRWHJCEAYHBA-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029003281 636945693 /nfs/dbraw/zinc/94/56/93/636945693.db2.gz KHRNPPCLVQMMBN-CABCVRRESA-N 0 3 313.873 2.051 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000923265703 637066415 /nfs/dbraw/zinc/06/64/15/637066415.db2.gz LKGYFJFBOQFUHL-NWDGAFQWSA-N 0 3 305.328 2.145 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923263425 637070225 /nfs/dbraw/zinc/07/02/25/637070225.db2.gz NXIYBLSGGUSLGA-OLMNPRSZSA-N 0 3 311.429 2.432 20 30 DEEDHN CN(C(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H]1CCCN(C)C1 ZINC000894658894 637156577 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ZINC000895463088 638037271 /nfs/dbraw/zinc/03/72/71/638037271.db2.gz HVTQODSYQRGAJA-UHFFFAOYSA-N 0 3 308.403 2.212 20 30 DEEDHN C#CCC1(O)CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000895669596 638143022 /nfs/dbraw/zinc/14/30/22/638143022.db2.gz GYZADKPZBAKGEG-UHFFFAOYSA-N 0 3 303.402 2.362 20 30 DEEDHN C#CCOc1ccc(CN2CCSC[C@@H](C(=O)OC)C2)cc1 ZINC000840975763 650399138 /nfs/dbraw/zinc/39/91/38/650399138.db2.gz ABIZOZZKIDZRSV-HNNXBMFYSA-N 0 3 319.426 2.037 20 30 DEEDHN CCCCCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895939374 638277639 /nfs/dbraw/zinc/27/76/39/638277639.db2.gz NOSDFYBUPZAEPY-HZPDHXFCSA-N 0 3 311.470 2.197 20 30 DEEDHN C#CCN(CC#CC)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000745738706 638287240 /nfs/dbraw/zinc/28/72/40/638287240.db2.gz XTOVFGVMBAZADX-HKUYNNGSSA-N 0 3 323.440 2.490 20 30 DEEDHN Cc1ccc(Cl)c2c1NC(=O)C2=NNCCN1CCCCC1 ZINC000747047909 638402776 /nfs/dbraw/zinc/40/27/76/638402776.db2.gz LOHQWYHYYFTANJ-UHFFFAOYSA-N 0 3 320.824 2.380 20 30 DEEDHN CCN(CCCO)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000748823404 638596071 /nfs/dbraw/zinc/59/60/71/638596071.db2.gz TUNLWKVZLAWFEN-GFCCVEGCSA-N 0 3 317.414 2.177 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNCc3nccn3CC)C2)C1 ZINC000984765987 638640928 /nfs/dbraw/zinc/64/09/28/638640928.db2.gz PCEGJPZICYMVEE-SHTZXODSSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNCc3cc(OC)no3)C2)C1 ZINC000984774760 638667579 /nfs/dbraw/zinc/66/75/79/638667579.db2.gz FBCQSXVHJJWHPE-JOCQHMNTSA-N 0 3 319.405 2.024 20 30 DEEDHN C#CCCCS(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000804985865 638744089 /nfs/dbraw/zinc/74/40/89/638744089.db2.gz AGZAGXCSAZKSNB-HNNXBMFYSA-N 0 3 322.474 2.449 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000896884797 638758892 /nfs/dbraw/zinc/75/88/92/638758892.db2.gz VLFJKWWFIDOPJT-CZUORRHYSA-N 0 3 303.406 2.495 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(CCNC(=O)O3)CC2)cc1 ZINC000897012646 639125026 /nfs/dbraw/zinc/12/50/26/639125026.db2.gz AXGHMSZPEZZNKG-UHFFFAOYSA-N 0 3 314.385 2.163 20 30 DEEDHN CCN1CCN(c2ccc(NC(=O)NCCCC#N)cc2)CC1 ZINC000752424305 639183376 /nfs/dbraw/zinc/18/33/76/639183376.db2.gz NHOKHYSOJGYWKT-UHFFFAOYSA-N 0 3 315.421 2.254 20 30 DEEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCN1C1CCOCC1 ZINC000897229278 639263080 /nfs/dbraw/zinc/26/30/80/639263080.db2.gz SOMQYNQRUKJVII-HNNXBMFYSA-N 0 3 303.381 2.040 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000985313927 639264014 /nfs/dbraw/zinc/26/40/14/639264014.db2.gz DNGCAHPTIKDUKP-GFCCVEGCSA-N 0 3 321.446 2.077 20 30 DEEDHN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(OCC#N)cc1 ZINC000753732187 639335659 /nfs/dbraw/zinc/33/56/59/639335659.db2.gz PVLJRVBVDRTIIW-CZUORRHYSA-N 0 3 322.430 2.207 20 30 DEEDHN N#CC(C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)NC1CC1 ZINC000121331263 639349872 /nfs/dbraw/zinc/34/98/72/639349872.db2.gz ZBJQCDAIRLNCSC-ZDUSSCGKSA-N 0 3 315.760 2.282 20 30 DEEDHN CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc(F)cc(F)c1[O-] ZINC000753934346 639360310 /nfs/dbraw/zinc/36/03/10/639360310.db2.gz HJUULGNIPJZBBM-STQMWFEESA-N 0 3 308.332 2.254 20 30 DEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(F)cc(F)c1O ZINC000753934346 639360314 /nfs/dbraw/zinc/36/03/14/639360314.db2.gz HJUULGNIPJZBBM-STQMWFEESA-N 0 3 308.332 2.254 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(N(C)Cc2cc(C)ncn2)CC1 ZINC000985574964 639513218 /nfs/dbraw/zinc/51/32/18/639513218.db2.gz SPPNMNNAHRWAQI-UHFFFAOYSA-N 0 3 316.449 2.420 20 30 DEEDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000897344447 639522365 /nfs/dbraw/zinc/52/23/65/639522365.db2.gz CPLHDLZSLMMDNQ-CJNGLKHVSA-N 0 3 315.417 2.372 20 30 DEEDHN CN(CC(=O)NCCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000755274870 639537048 /nfs/dbraw/zinc/53/70/48/639537048.db2.gz CTPFMSMGDKENTL-HZPDHXFCSA-N 0 3 319.380 2.007 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cn1 ZINC000728862571 639547404 /nfs/dbraw/zinc/54/74/04/639547404.db2.gz AOYCEMUGVDUZQC-UHFFFAOYSA-N 0 3 311.385 2.168 20 30 DEEDHN N#CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000728918323 639636315 /nfs/dbraw/zinc/63/63/15/639636315.db2.gz WLUNQAGTHFGVKN-GFCCVEGCSA-N 0 3 310.382 2.461 20 30 DEEDHN C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)c1ccc[nH]1 ZINC000985949285 639702307 /nfs/dbraw/zinc/70/23/07/639702307.db2.gz QODCJVABCRQTIX-BXUZGUMPSA-N 0 3 314.414 2.341 20 30 DEEDHN C#C[C@H](NCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000839564273 639755286 /nfs/dbraw/zinc/75/52/86/639755286.db2.gz PLFKRWMBDKDVSR-LSDHHAIUSA-N 0 3 306.793 2.439 20 30 DEEDHN C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757655998 639865053 /nfs/dbraw/zinc/86/50/53/639865053.db2.gz MCTAKCUBSWJGTE-JQWIXIFHSA-N 0 3 313.394 2.270 20 30 DEEDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000757922215 639895860 /nfs/dbraw/zinc/89/58/60/639895860.db2.gz ABMJDGNBQUBCKN-CXAGYDPISA-N 0 3 320.389 2.035 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@@H](NCc3cncn3C)[C@@H]2C)CC1 ZINC000986854123 640000372 /nfs/dbraw/zinc/00/03/72/640000372.db2.gz MSIGZGXDZQMLNK-WMLDXEAASA-N 0 3 316.449 2.246 20 30 DEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(=O)C1CC1 ZINC000759185801 640036209 /nfs/dbraw/zinc/03/62/09/640036209.db2.gz ALEXBODFNLCSHF-NSHDSACASA-N 0 3 313.382 2.341 20 30 DEEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(=O)C1CC1 ZINC000759185798 640036271 /nfs/dbraw/zinc/03/62/71/640036271.db2.gz ALEXBODFNLCSHF-LLVKDONJSA-N 0 3 313.382 2.341 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1C(=O)C(F)F ZINC000987698277 640260510 /nfs/dbraw/zinc/26/05/10/640260510.db2.gz TYBRIOWUGVZBNT-CABZTGNLSA-N 0 3 311.307 2.041 20 30 DEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)CC1CC1 ZINC000987714108 640266728 /nfs/dbraw/zinc/26/67/28/640266728.db2.gz MYJITUGTCYMQBS-WCQYABFASA-N 0 3 303.431 2.499 20 30 DEEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cncnc1 ZINC000761091513 640268164 /nfs/dbraw/zinc/26/81/64/640268164.db2.gz DIRQFPQKCQALOL-SNVBAGLBSA-N 0 3 300.705 2.091 20 30 DEEDHN COc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)C(C)C)C2)cc1C#N ZINC000988129818 640351014 /nfs/dbraw/zinc/35/10/14/640351014.db2.gz BCXLGHYPUFUTQV-XJKSGUPXSA-N 0 3 315.417 2.302 20 30 DEEDHN N#CC(C(=O)COC/C=C\c1ccccc1)C(=O)N1CCCC1 ZINC000763469037 640545368 /nfs/dbraw/zinc/54/53/68/640545368.db2.gz JPBMNQIVKJJXBH-CXOKCQFOSA-N 0 3 312.369 2.048 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@H](NCCF)C[C@H]2C)cc1 ZINC000989049529 640711579 /nfs/dbraw/zinc/71/15/79/640711579.db2.gz JLZBZJDAHWOFPC-UKRRQHHQSA-N 0 3 306.381 2.414 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2c(C)cccc2Cl)C1 ZINC000989092320 640721129 /nfs/dbraw/zinc/72/11/29/640721129.db2.gz DUNGAGWEOCXBPE-UONOGXRCSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000989133355 640731113 /nfs/dbraw/zinc/73/11/13/640731113.db2.gz VKKOOPLKCSXSOI-WBVHZDCISA-N 0 3 307.397 2.303 20 30 DEEDHN N#CC(C(=O)CCc1cncc2ccccc21)C(=O)NC1CC1 ZINC000765586669 640796453 /nfs/dbraw/zinc/79/64/53/640796453.db2.gz JGWQSJWGKGDVCL-MRXNPFEDSA-N 0 3 307.353 2.155 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cccc(OC)c3o2)C1 ZINC000989384241 640834152 /nfs/dbraw/zinc/83/41/52/640834152.db2.gz MQRHJBWKESGSTA-GXTWGEPZSA-N 0 3 312.369 2.267 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000989405619 640854820 /nfs/dbraw/zinc/85/48/20/640854820.db2.gz JMOJLWHMJWXBAC-BXUZGUMPSA-N 0 3 308.784 2.234 20 30 DEEDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000897650861 640890855 /nfs/dbraw/zinc/89/08/55/640890855.db2.gz VHWMQFKMAIKOGD-KBUPBQIOSA-N 0 3 323.437 2.293 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897931612 640970717 /nfs/dbraw/zinc/97/07/17/640970717.db2.gz WXTQGNQIBSMAQZ-NVXWUHKLSA-N 0 3 320.433 2.178 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000989506061 641131402 /nfs/dbraw/zinc/13/14/02/641131402.db2.gz GMPYZIVSHCJQKQ-SMDDNHRTSA-N 0 3 300.333 2.398 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)cc3cccnc32)C1 ZINC000989515857 641133730 /nfs/dbraw/zinc/13/37/30/641133730.db2.gz XALMVCZAUMSZFR-SWLSCSKDSA-N 0 3 311.360 2.200 20 30 DEEDHN C#CCCN1CCCN(C(=O)COc2ccc(CC)cc2)CC1 ZINC000989597623 641161549 /nfs/dbraw/zinc/16/15/49/641161549.db2.gz HGHATIQTHLGEME-UHFFFAOYSA-N 0 3 314.429 2.185 20 30 DEEDHN C#CCCN1CCCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000989628284 641175393 /nfs/dbraw/zinc/17/53/93/641175393.db2.gz WIZDHZITXUHBHB-UHFFFAOYSA-N 0 3 320.820 2.276 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3nc(C)sc3c2)C1 ZINC000989644615 641178331 /nfs/dbraw/zinc/17/83/31/641178331.db2.gz YUSFWDGYERGMRW-FZMZJTMJSA-N 0 3 313.426 2.431 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000989698766 641200408 /nfs/dbraw/zinc/20/04/08/641200408.db2.gz DAXRVXOXVMAXAM-HNNXBMFYSA-N 0 3 302.393 2.487 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2c(C)cc(C)cc2C)C1 ZINC000989752408 641222647 /nfs/dbraw/zinc/22/26/47/641222647.db2.gz MKBPNPVAXJFJBW-IAGOWNOFSA-N 0 3 314.429 2.203 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12 ZINC000989941605 641298086 /nfs/dbraw/zinc/29/80/86/641298086.db2.gz CUBYCTPTQLLZAH-GDBMZVCRSA-N 0 3 305.809 2.418 20 30 DEEDHN CS[C@H](C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989986680 641320085 /nfs/dbraw/zinc/32/00/85/641320085.db2.gz TYYUPIYXAWRFNM-CYBMUJFWSA-N 0 3 317.458 2.390 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H]3CCCCO3)CCC[C@H]12 ZINC000990189572 641387632 /nfs/dbraw/zinc/38/76/32/641387632.db2.gz AJOVYQUGYFRUTO-SOLBZPMBSA-N 0 3 304.434 2.082 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCc4n[nH]cc43)CCC[C@@H]12 ZINC000990680426 641598063 /nfs/dbraw/zinc/59/80/63/641598063.db2.gz CMRSJAIGHVGGEP-MZMPZRCHSA-N 0 3 314.433 2.129 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCc4n[nH]cc43)CCC[C@H]12 ZINC000990680442 641598467 /nfs/dbraw/zinc/59/84/67/641598467.db2.gz CMRSJAIGHVGGEP-RPVQJOFSSA-N 0 3 314.433 2.129 20 30 DEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cnn(C)c1 ZINC000842288434 650694767 /nfs/dbraw/zinc/69/47/67/650694767.db2.gz JLSDHSPWDVFKGC-SWLSCSKDSA-N 0 3 316.405 2.071 20 30 DEEDHN C=C(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105796 641936727 /nfs/dbraw/zinc/93/67/27/641936727.db2.gz YWRXKPDXJDSQNP-INIZCTEOSA-N 0 3 304.438 2.231 20 30 DEEDHN C#CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000775400497 642039034 /nfs/dbraw/zinc/03/90/34/642039034.db2.gz KGZBWHRGLOWLEO-MRXNPFEDSA-N 0 3 311.341 2.111 20 30 DEEDHN C#CCN(CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCc2ccccc21 ZINC000775947479 642115927 /nfs/dbraw/zinc/11/59/27/642115927.db2.gz LAFZMEOIHQVJGF-WSTZPKSXSA-N 0 3 310.441 2.472 20 30 DEEDHN C#CCNC(=O)CN[C@@H](COc1c(C)cccc1C)C(C)(C)C ZINC000776034787 642124949 /nfs/dbraw/zinc/12/49/49/642124949.db2.gz XYZMEASMSGUEOU-INIZCTEOSA-N 0 3 316.445 2.436 20 30 DEEDHN C#Cc1cccc(NC(=S)NN=Cc2cnccc2N(C)C)c1 ZINC000776180240 642139492 /nfs/dbraw/zinc/13/94/92/642139492.db2.gz KMCODBOESJSOCJ-UHFFFAOYSA-N 0 3 323.425 2.449 20 30 DEEDHN N#Cc1ccc(OCCCN2CCC(O)(C(F)F)CC2)cc1 ZINC000778307004 642369134 /nfs/dbraw/zinc/36/91/34/642369134.db2.gz BYJUKOYVMCQTAC-UHFFFAOYSA-N 0 3 310.344 2.419 20 30 DEEDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(C#N)cn2)c1 ZINC000780649062 642655022 /nfs/dbraw/zinc/65/50/22/642655022.db2.gz RPVUZLUPYGTQLZ-UHFFFAOYSA-N 0 3 309.373 2.337 20 30 DEEDHN CN(C)c1ccc([C@H](CNC[C@@H](C#N)CCC#N)N(C)C)cc1 ZINC000901706283 642763016 /nfs/dbraw/zinc/76/30/16/642763016.db2.gz KAPUNWOGSAPGQO-QAPCUYQASA-N 0 3 313.449 2.388 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)n(C(F)F)n3)CCC[C@@H]12 ZINC000990936992 642874308 /nfs/dbraw/zinc/87/43/08/642874308.db2.gz QSJWWYCDRYWLJM-CZUORRHYSA-N 0 3 324.375 2.499 20 30 DEEDHN N#CCOc1ccc(Cl)cc1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000782539946 642894196 /nfs/dbraw/zinc/89/41/96/642894196.db2.gz QVOPUHSNFSASRD-ZIAGYGMSSA-N 0 3 321.808 2.376 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnn3CC(C)C)CCC[C@H]12 ZINC000990951158 642919642 /nfs/dbraw/zinc/91/96/42/642919642.db2.gz AOKSKAOLANPOTC-FUHWJXTLSA-N 0 3 316.449 2.452 20 30 DEEDHN C=CCC[C@H]([NH2+]Cc1nnc(COC)[n-]1)[C@@]1(C)CCCCO1 ZINC000903048281 643238266 /nfs/dbraw/zinc/23/82/66/643238266.db2.gz LMXATWNVWLWXDI-XJKSGUPXSA-N 0 3 308.426 2.335 20 30 DEEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1NCC1(C#N)CC1 ZINC000903105262 643250930 /nfs/dbraw/zinc/25/09/30/643250930.db2.gz BIFTZZULQQOWOE-BFHYXJOUSA-N 0 3 323.437 2.198 20 30 DEEDHN C[C@@H](NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(C#N)ccn1 ZINC000903093680 643253669 /nfs/dbraw/zinc/25/36/69/643253669.db2.gz KSWYKUKNXFXYHV-LNCBFAARSA-N 0 3 301.390 2.330 20 30 DEEDHN CO[C@@H]1CCC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000903146197 643268939 /nfs/dbraw/zinc/26/89/39/643268939.db2.gz DLAZSCHPTHDKJF-YESZJQIVSA-N 0 3 313.401 2.211 20 30 DEEDHN CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(C#N)c1 ZINC000903399004 643344156 /nfs/dbraw/zinc/34/41/56/643344156.db2.gz LXGHQWKUBFZEQJ-CVEARBPZSA-N 0 3 323.400 2.373 20 30 DEEDHN N#CC(C(=O)COCC1CC1)C(=O)NCc1cccc(Cl)c1 ZINC000786537823 643381552 /nfs/dbraw/zinc/38/15/52/643381552.db2.gz LXTYOQJMRYJPCQ-CQSZACIVSA-N 0 3 320.776 2.092 20 30 DEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786560919 643385247 /nfs/dbraw/zinc/38/52/47/643385247.db2.gz SJCGHGBKPDJYCD-ZWNOBZJWSA-N 0 3 324.327 2.105 20 30 DEEDHN C[NH+](C)[C@@H]1CCCC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000788432973 643607589 /nfs/dbraw/zinc/60/75/89/643607589.db2.gz INABWSLRHHXXQI-MRXNPFEDSA-N 0 3 323.462 2.009 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)NC1(C)CC1 ZINC000789212991 643700443 /nfs/dbraw/zinc/70/04/43/643700443.db2.gz PVQUEDKRJVCCSB-UHFFFAOYSA-N 0 3 316.474 2.349 20 30 DEEDHN COc1cccc(/C=N\[C@@H]2CCCN3CCSC[C@H]23)c1O ZINC000905002365 643760486 /nfs/dbraw/zinc/76/04/86/643760486.db2.gz HOKDLZUJAHHSIP-SRDPGZLCSA-N 0 3 306.431 2.400 20 30 DEEDHN C#CCOc1ccccc1CNC[C@H](O)CC1(CO)CCCC1 ZINC000905116437 643794816 /nfs/dbraw/zinc/79/48/16/643794816.db2.gz FNCUBPIIDPDTBU-QGZVFWFLSA-N 0 3 317.429 2.092 20 30 DEEDHN N#Cc1ccc(F)c(CNC[C@@H](O)CC2(CO)CCCC2)c1 ZINC000905520422 643942332 /nfs/dbraw/zinc/94/23/32/643942332.db2.gz ZKPPOYHYMWJTQC-HNNXBMFYSA-N 0 3 306.381 2.091 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CNCc1cccc2c1OCC2 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C=CCN1CC[C@@]2(NC(=O)c3ncc(C)cc3OC)CCC[C@@H]12 ZINC000991089099 644450045 /nfs/dbraw/zinc/45/00/45/644450045.db2.gz NOKCIKWKBIMOEZ-QAPCUYQASA-N 0 3 315.417 2.311 20 30 DEEDHN Cc1ccccc1[C@@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000794830977 644481792 /nfs/dbraw/zinc/48/17/92/644481792.db2.gz AVNNVDUFGAOESS-WMZOPIPTSA-N 0 3 323.396 2.448 20 30 DEEDHN C#CC[C@@H](Cc1ccccc1)NC(=S)NC1CCN(C)CC1 ZINC000795131839 644525413 /nfs/dbraw/zinc/52/54/13/644525413.db2.gz NUISTLYCZSTFQL-KRWDZBQOSA-N 0 3 315.486 2.179 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3cnccc3C)CCC[C@@H]12 ZINC000991116135 644771524 /nfs/dbraw/zinc/77/15/24/644771524.db2.gz ITRNIZWWCTWZOE-MJGOQNOKSA-N 0 3 311.429 2.069 20 30 DEEDHN C=CCCC[C@@H](C(=O)N[C@H](CO)CN(C)C)c1ccccc1 ZINC000908199925 644782074 /nfs/dbraw/zinc/78/20/74/644782074.db2.gz GFSMIYSKGHGFHN-DLBZAZTESA-N 0 3 304.434 2.165 20 30 DEEDHN CN1C(=O)CC[C@H]1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797570664 644896195 /nfs/dbraw/zinc/89/61/95/644896195.db2.gz 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ZINC000809768492 646280672 /nfs/dbraw/zinc/28/06/72/646280672.db2.gz NDXNEUVKGAXWNP-ZBFHGGJFSA-N 0 3 306.406 2.195 20 30 DEEDHN C#CCNC(=O)CNC(C)(C)c1ccc(Br)c(C)c1 ZINC000810129474 646328727 /nfs/dbraw/zinc/32/87/27/646328727.db2.gz FZPNYBSMHMSBED-UHFFFAOYSA-N 0 3 323.234 2.332 20 30 DEEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C2(CCF)CC2)cc1 ZINC000810536795 646373021 /nfs/dbraw/zinc/37/30/21/646373021.db2.gz OGDLLGRQKXAEDD-AWEZNQCLSA-N 0 3 318.348 2.160 20 30 DEEDHN CCOC(=O)NCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000054736029 646395560 /nfs/dbraw/zinc/39/55/60/646395560.db2.gz BQTUSVCVDDMMLK-JTQLQIEISA-N 0 3 301.302 2.140 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(F)cccc2OC)C[C@H]1C ZINC000947324467 646473924 /nfs/dbraw/zinc/47/39/24/646473924.db2.gz SSHISLLEXRPFAA-KGLIPLIRSA-N 0 3 318.392 2.440 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(OC(C)C)cn2)C[C@H]1C ZINC000947315548 646549411 /nfs/dbraw/zinc/54/94/11/646549411.db2.gz VTFLWHBMWQENRB-KGLIPLIRSA-N 0 3 318.421 2.033 20 30 DEEDHN CC[C@@H](O)CNN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000811654004 646555088 /nfs/dbraw/zinc/55/50/88/646555088.db2.gz LCWIFBWBKQENGH-QGZVFWFLSA-N 0 3 319.449 2.376 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc4O3)CCC[C@@H]12 ZINC000991711708 646594287 /nfs/dbraw/zinc/59/42/87/646594287.db2.gz OPQLTJBUVZMBBW-QWFCFKBJSA-N 0 3 324.424 2.127 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnc3cc(C)ccn23)C[C@@H]1C ZINC000947334261 646615029 /nfs/dbraw/zinc/61/50/29/646615029.db2.gz JOXZQUSPTUYUIA-JKSUJKDBSA-N 0 3 324.428 2.249 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC000170672288 646657575 /nfs/dbraw/zinc/65/75/75/646657575.db2.gz RROBIGMXYNJDJL-GXTWGEPZSA-N 0 3 320.364 2.181 20 30 DEEDHN COc1cccc(CN2CCC(NC(=O)CCCC#N)CC2)c1 ZINC000812476401 646659684 /nfs/dbraw/zinc/65/96/84/646659684.db2.gz BMMAWYZMOKHSLF-UHFFFAOYSA-N 0 3 315.417 2.470 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC000948006218 646689260 /nfs/dbraw/zinc/68/92/60/646689260.db2.gz GPVMYFNRPXEFIZ-PBHICJAKSA-N 0 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ZINC000992442785 647008862 /nfs/dbraw/zinc/00/88/62/647008862.db2.gz UHMLMGPWNIVAKX-LPHOPBHVSA-N 0 3 324.428 2.486 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3OCc4ccccc43)CCC[C@H]12 ZINC000992458674 647029631 /nfs/dbraw/zinc/02/96/31/647029631.db2.gz UGBDKOTYRCABBE-CMKODMSKSA-N 0 3 324.424 2.394 20 30 DEEDHN N#CC(C(=O)CC1(C#N)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000816037078 647083776 /nfs/dbraw/zinc/08/37/76/647083776.db2.gz DCAVFCHGGRBPLH-CYBMUJFWSA-N 0 3 315.760 2.359 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(F)ccc3C#N)[C@H]2C1 ZINC000992528635 647091209 /nfs/dbraw/zinc/09/12/09/647091209.db2.gz NGKITXBKNZCKKM-WBAXXEDZSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN(CC)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC000929789221 647139952 /nfs/dbraw/zinc/13/99/52/647139952.db2.gz VPMIWNSVPVFJTK-CRAIPNDOSA-N 0 3 322.449 2.358 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCCc2occc21)C1CCN(C)CC1 ZINC000914153003 647175059 /nfs/dbraw/zinc/17/50/59/647175059.db2.gz PDCQAKKSMVKRBC-INIZCTEOSA-N 0 3 315.417 2.396 20 30 DEEDHN C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000992655502 647179253 /nfs/dbraw/zinc/17/92/53/647179253.db2.gz KZRZPZQMODJVLO-VNQPRFMTSA-N 0 3 300.402 2.409 20 30 DEEDHN COC(=O)c1cc(Cl)cc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000818123871 647423307 /nfs/dbraw/zinc/42/33/07/647423307.db2.gz JUEFUUBYJSWGKX-LBPRGKRZSA-N 0 3 309.753 2.086 20 30 DEEDHN COC(=O)c1cc(Cl)cc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000818123870 647423497 /nfs/dbraw/zinc/42/34/97/647423497.db2.gz JUEFUUBYJSWGKX-GFCCVEGCSA-N 0 3 309.753 2.086 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCOc1ccc(C)cc1 ZINC000818593036 647484777 /nfs/dbraw/zinc/48/47/77/647484777.db2.gz ISEYTKPMNDCBJS-UHFFFAOYSA-N 0 3 302.418 2.225 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccccc2F)on1 ZINC000818612358 647488372 /nfs/dbraw/zinc/48/83/72/647488372.db2.gz XMQPUIFINZDZGL-UHFFFAOYSA-N 0 3 315.348 2.166 20 30 DEEDHN C=CCn1c(C)nn(CN2CCN(C)C[C@@H]2C(C)C)c1=S ZINC000153614061 647543052 /nfs/dbraw/zinc/54/30/52/647543052.db2.gz TVKOGWKRJPOHFY-CQSZACIVSA-N 0 3 309.483 2.138 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)nnc2C)[C@H]1C ZINC000993398470 647650064 /nfs/dbraw/zinc/65/00/64/647650064.db2.gz RKMSVRUPGCGBAK-ZBFHGGJFSA-N 0 3 302.422 2.252 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H]1C ZINC000993408980 647654402 /nfs/dbraw/zinc/65/44/02/647654402.db2.gz HOHYUYFHDPTIRN-GXTWGEPZSA-N 0 3 313.405 2.117 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cnccc2C)[C@@H]1C ZINC000993466954 647679330 /nfs/dbraw/zinc/67/93/30/647679330.db2.gz SBEASLLYZLXQCI-RDJZCZTQSA-N 0 3 301.434 2.478 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3ccccn23)[C@@H]1C ZINC000993506467 647682605 /nfs/dbraw/zinc/68/26/05/647682605.db2.gz FGDHROIPRFMNBO-GJZGRUSLSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(C)c2CC)[C@H]1C ZINC000993575405 647695189 /nfs/dbraw/zinc/69/51/89/647695189.db2.gz YJEPDKFRFMOBDX-UKRRQHHQSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@@H]1C ZINC000993579885 647696780 /nfs/dbraw/zinc/69/67/80/647696780.db2.gz ZMAOKODRVFZWLR-DOTOQJQBSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H]1C ZINC000993605016 647705534 /nfs/dbraw/zinc/70/55/34/647705534.db2.gz ULYKYNRULWODKN-KBPBESRZSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC000993661848 647726851 /nfs/dbraw/zinc/72/68/51/647726851.db2.gz OEMDQKQHDDHRHP-CJNGLKHVSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(c3cccnc3)CC2)[C@@H]1C ZINC000993743353 647737022 /nfs/dbraw/zinc/73/70/22/647737022.db2.gz MKWFSOYOVASQHR-RDJZCZTQSA-N 0 3 311.429 2.106 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccncc2Cl)[C@@H]1C ZINC000993818898 647749224 /nfs/dbraw/zinc/74/92/24/647749224.db2.gz NLJARQGOYZDTGL-WFASDCNBSA-N 0 3 307.825 2.433 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(CC)cn2)[C@H]1C ZINC000993851058 647755912 /nfs/dbraw/zinc/75/59/12/647755912.db2.gz XBRJPVMRCVNJCA-RHSMWYFYSA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccc(F)c2F)[C@@H]1C ZINC000993886699 647758540 /nfs/dbraw/zinc/75/85/40/647758540.db2.gz NSPQJYHWIXPSST-BBRMVZONSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3nccnc32)[C@H]1C ZINC000994092709 647788628 /nfs/dbraw/zinc/78/86/28/647788628.db2.gz MTXNQKVCLHFGFE-ZBFHGGJFSA-N 0 3 322.412 2.236 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@@H]1C ZINC000994134367 647792066 /nfs/dbraw/zinc/79/20/66/647792066.db2.gz JZDYTLNSVHPZGQ-SWLSCSKDSA-N 0 3 303.406 2.118 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@H]1C ZINC000994138519 647800132 /nfs/dbraw/zinc/80/01/32/647800132.db2.gz YXCKNNFOMMTFKN-CABCVRRESA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H]1C ZINC000994190059 647802992 /nfs/dbraw/zinc/80/29/92/647802992.db2.gz OUZDQSOQLDVCQP-YOEHRIQHSA-N 0 3 316.449 2.452 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H]1C ZINC000994206086 647805276 /nfs/dbraw/zinc/80/52/76/647805276.db2.gz QDRXDAGIMDRWDG-RDJZCZTQSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H]1C ZINC000994225885 647812344 /nfs/dbraw/zinc/81/23/44/647812344.db2.gz DJNWMQRUKTVOJP-ZIAGYGMSSA-N 0 3 304.438 2.233 20 30 DEEDHN C#C[C@H](NC(=O)N1CCCN(CC)CC1)c1ccc(F)cc1 ZINC000820484531 647854668 /nfs/dbraw/zinc/85/46/68/647854668.db2.gz YMZICQVEDUTUGY-INIZCTEOSA-N 0 3 303.381 2.237 20 30 DEEDHN C#CCN(C(=O)N[C@@H](C)c1nc(C)cs1)C1CCN(C)CC1 ZINC000916492361 647873139 /nfs/dbraw/zinc/87/31/39/647873139.db2.gz ABYQTIAJBDPJJF-ZDUSSCGKSA-N 0 3 320.462 2.252 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc(OC)cc2)[C@H]1C ZINC000994300198 647906704 /nfs/dbraw/zinc/90/67/04/647906704.db2.gz FGMGFELGPVNLDW-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cn3ccccc3n2)[C@H]1C ZINC000994340410 647913438 /nfs/dbraw/zinc/91/34/38/647913438.db2.gz UQTHWEMRFWTPEQ-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H]1C ZINC000994376224 647925903 /nfs/dbraw/zinc/92/59/03/647925903.db2.gz NAQYOAQPSJIXGK-OCCSQVGLSA-N 0 3 313.405 2.117 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@@H]1C ZINC000994410296 647943492 /nfs/dbraw/zinc/94/34/92/647943492.db2.gz SIDMZQOZMATGLZ-SWLSCSKDSA-N 0 3 315.417 2.045 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1Cc2ccccc2S1 ZINC000917041011 647957651 /nfs/dbraw/zinc/95/76/51/647957651.db2.gz FJAHHFJEPLRIRN-UKRRQHHQSA-N 0 3 314.410 2.471 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1C ZINC000994477638 647964658 /nfs/dbraw/zinc/96/46/58/647964658.db2.gz UBOWAIHULSIUCP-OCCSQVGLSA-N 0 3 305.447 2.366 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ncccc2OCC)[C@@H]1C ZINC000994538884 648032102 /nfs/dbraw/zinc/03/21/02/648032102.db2.gz HHAOKYVUJPCTAQ-GJZGRUSLSA-N 0 3 315.417 2.086 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cc1ccc(OCC)cc1 ZINC000840464785 648052637 /nfs/dbraw/zinc/05/26/37/648052637.db2.gz QGENYDQRDUCTMH-INIZCTEOSA-N 0 3 316.445 2.335 20 30 DEEDHN COCCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000921192902 648279762 /nfs/dbraw/zinc/27/97/62/648279762.db2.gz DTYABGKBIKRKIL-LBPRGKRZSA-N 0 3 317.414 2.441 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)C[C@H]1C ZINC000948070164 648329118 /nfs/dbraw/zinc/32/91/18/648329118.db2.gz MWDPIXOJKUKEAF-UKRRQHHQSA-N 0 3 315.417 2.010 20 30 DEEDHN COc1cc(C#N)ccc1C(=O)N(C)CCN1CCCCC1 ZINC000824115426 648529960 /nfs/dbraw/zinc/52/99/60/648529960.db2.gz SELGDPZMDDBTCJ-UHFFFAOYSA-N 0 3 301.390 2.125 20 30 DEEDHN CN(CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)CC(C)(C)C ZINC000824175151 648539959 /nfs/dbraw/zinc/53/99/59/648539959.db2.gz OYNGSABEPJMMJP-MRXNPFEDSA-N 0 3 317.433 2.028 20 30 DEEDHN CCC(F)(F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000824367479 648574281 /nfs/dbraw/zinc/57/42/81/648574281.db2.gz KINNDTWNVDDELK-UHFFFAOYSA-N 0 3 309.360 2.494 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@@H](NC(=O)c2cnco2)C1 ZINC000995030062 648773823 /nfs/dbraw/zinc/77/38/23/648773823.db2.gz AEKPAVQVMFRJMV-CZUORRHYSA-N 0 3 324.384 2.235 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccc(F)nc2)CC1 ZINC000948244948 648834502 /nfs/dbraw/zinc/83/45/02/648834502.db2.gz LOMFLNKMSDORQM-HNNXBMFYSA-N 0 3 303.381 2.171 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182382554 648892770 /nfs/dbraw/zinc/89/27/70/648892770.db2.gz NZMSTYZZAAKXGA-ZDUSSCGKSA-N 0 3 306.406 2.476 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNCc3cnns3)C2)C1 ZINC000995089272 648912244 /nfs/dbraw/zinc/91/22/44/648912244.db2.gz AWKVZZPEAIIHJN-QWHCGFSZSA-N 0 3 320.462 2.269 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)n2cccc2)C(C)(C)C1 ZINC000940686516 648920536 /nfs/dbraw/zinc/92/05/36/648920536.db2.gz NKQXQPVTFOVXAO-HZPDHXFCSA-N 0 3 301.434 2.289 20 30 DEEDHN C#CCCOc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826780774 648926320 /nfs/dbraw/zinc/92/63/20/648926320.db2.gz PXCPNLAYCPWQEA-UHFFFAOYSA-N 0 3 310.397 2.459 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2CC(OCC)C2)C(C)(C)C1 ZINC000940713110 648929467 /nfs/dbraw/zinc/92/94/67/648929467.db2.gz UARSFARHRBLQCG-GPANFISMSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccncc2C)C(C)(C)C1 ZINC000940745616 648936917 /nfs/dbraw/zinc/93/69/17/648936917.db2.gz QYQUNYIVBUJIQM-QGZVFWFLSA-N 0 3 313.445 2.173 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OCC)nc2)C(C)(C)C1 ZINC000940786231 648941083 /nfs/dbraw/zinc/94/10/83/648941083.db2.gz UXNYJMUQGVTHPF-HNNXBMFYSA-N 0 3 317.433 2.497 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C(C)(C)C1 ZINC000940928035 648968425 /nfs/dbraw/zinc/96/84/25/648968425.db2.gz FMPDLZAIPTYVHZ-CQSZACIVSA-N 0 3 317.433 2.420 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2Cl)C(C)(C)C1 ZINC000940926229 648972507 /nfs/dbraw/zinc/97/25/07/648972507.db2.gz QJXZDQIODMYLJH-GFCCVEGCSA-N 0 3 324.856 2.398 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2oc(CC)nc2C)C[C@H]1C ZINC000947891818 648989742 /nfs/dbraw/zinc/98/97/42/648989742.db2.gz VWJKAKBDVYAYGW-TZMCWYRMSA-N 0 3 303.406 2.151 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C(C)(C)C1 ZINC000941131145 649008694 /nfs/dbraw/zinc/00/86/94/649008694.db2.gz WXNMIRHVUUFZOL-OAHLLOKOSA-N 0 3 317.433 2.366 20 30 DEEDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000827340468 649018532 /nfs/dbraw/zinc/01/85/32/649018532.db2.gz BDOQVLFHNZLHBJ-INIZCTEOSA-N 0 3 302.422 2.170 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000941288528 649035078 /nfs/dbraw/zinc/03/50/78/649035078.db2.gz SUZTYDNHUFPPCZ-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC000941593940 649060015 /nfs/dbraw/zinc/06/00/15/649060015.db2.gz YFTGWSSXUMSZIF-MRXNPFEDSA-N 0 3 307.482 2.073 20 30 DEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)c1ccon1 ZINC000941853183 649110157 /nfs/dbraw/zinc/11/01/57/649110157.db2.gz ARHLYUKCYJSQRG-XJKSGUPXSA-N 0 3 324.384 2.187 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccnn2C2CCC2)CC1 ZINC000948378555 649111770 /nfs/dbraw/zinc/11/17/70/649111770.db2.gz XJAKUXDUUQDTFR-OAHLLOKOSA-N 0 3 314.433 2.168 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@@H](C)C1 ZINC000942074990 649151653 /nfs/dbraw/zinc/15/16/53/649151653.db2.gz ACZJEFOSDXTBDS-ZFWWWQNUSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001015862412 649156290 /nfs/dbraw/zinc/15/62/90/649156290.db2.gz ZEZCDFVLIIFJMB-ZBFHGGJFSA-N 0 3 300.402 2.319 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc(CCC)c2)[C@@H](C)C1 ZINC000942146796 649167637 /nfs/dbraw/zinc/16/76/37/649167637.db2.gz AMOVRBFONCLJLG-YJBOKZPZSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@H](C)C1 ZINC000942270680 649194029 /nfs/dbraw/zinc/19/40/29/649194029.db2.gz FKXKRFGGFSWPEI-DYVFJYSZSA-N 0 3 302.393 2.462 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(OC)c2C)[C@H](C)C1 ZINC000942284856 649196325 /nfs/dbraw/zinc/19/63/25/649196325.db2.gz AHBAJRNYLKZQMX-PBHICJAKSA-N 0 3 314.429 2.385 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000942369557 649209650 /nfs/dbraw/zinc/20/96/50/649209650.db2.gz YRSSHLDNMNHNIF-NVXWUHKLSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000828698132 649210219 /nfs/dbraw/zinc/21/02/19/649210219.db2.gz BKQUCCMEHZNKQX-SJLPKXTDSA-N 0 3 316.445 2.298 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000942430220 649219392 /nfs/dbraw/zinc/21/93/92/649219392.db2.gz HFNDQIPWBXRWEX-DNVCBOLYSA-N 0 3 321.424 2.237 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000942430221 649219414 /nfs/dbraw/zinc/21/94/14/649219414.db2.gz HFNDQIPWBXRWEX-HNAYVOBHSA-N 0 3 321.424 2.237 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000942525930 649236399 /nfs/dbraw/zinc/23/63/99/649236399.db2.gz XUDJVKGOLSHDOF-WMLDXEAASA-N 0 3 313.445 2.470 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(OC)cs2)[C@@H](C)C1 ZINC000942547296 649242631 /nfs/dbraw/zinc/24/26/31/649242631.db2.gz KBBUGYFDEMFJGQ-JSGCOSHPSA-N 0 3 306.431 2.220 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(CC)c2C)[C@H](C)C1 ZINC000942575152 649250954 /nfs/dbraw/zinc/25/09/54/649250954.db2.gz SHPXPQMFCQBAOI-RHSMWYFYSA-N 0 3 301.434 2.280 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000942860790 649294775 /nfs/dbraw/zinc/29/47/75/649294775.db2.gz UOZCOYXVIDIFQZ-QMTHXVAHSA-N 0 3 310.319 2.177 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000942981109 649309439 /nfs/dbraw/zinc/30/94/39/649309439.db2.gz YFUKRTMVKVHDEA-LRDDRELGSA-N 0 3 322.811 2.481 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnnc3ccccc32)[C@@H](C)C1 ZINC000943030394 649321318 /nfs/dbraw/zinc/32/13/18/649321318.db2.gz WVQWVBYWMKTXNE-BBRMVZONSA-N 0 3 310.401 2.256 20 30 DEEDHN CC1(C)CN(C(=O)C2CC2)C[C@H]1NCc1ccc(C#N)s1 ZINC000995318960 649334560 /nfs/dbraw/zinc/33/45/60/649334560.db2.gz MYBKUBPRCDZUPA-CQSZACIVSA-N 0 3 303.431 2.356 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnc3ccccc3c2)[C@@H](C)C1 ZINC000943178434 649346044 /nfs/dbraw/zinc/34/60/44/649346044.db2.gz TZSRJUPAKYCXDU-WMLDXEAASA-N 0 3 307.397 2.308 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC000943230813 649352913 /nfs/dbraw/zinc/35/29/13/649352913.db2.gz HVHVELAXSPRPCH-RHSMWYFYSA-N 0 3 314.404 2.317 20 30 DEEDHN C#CC[C@H]1CCCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000829774836 649353807 /nfs/dbraw/zinc/35/38/07/649353807.db2.gz UUKMDGJWKUYGJH-WMZOPIPTSA-N 0 3 315.413 2.364 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cn2cc(C)c3ccccc32)[C@H](C)C1 ZINC000943464502 649379275 /nfs/dbraw/zinc/37/92/75/649379275.db2.gz HWHAXGALVDWVTD-SJLPKXTDSA-N 0 3 323.440 2.410 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@H](C)C1 ZINC000943516031 649387346 /nfs/dbraw/zinc/38/73/46/649387346.db2.gz JXKHZEVTHJKBNF-PBHICJAKSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000943519379 649388141 /nfs/dbraw/zinc/38/81/41/649388141.db2.gz XKHAJRZXZLGMAY-ZBFHGGJFSA-N 0 3 300.402 2.077 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(CC)oc2C)[C@@H](C)C1 ZINC000943495961 649388792 /nfs/dbraw/zinc/38/87/92/649388792.db2.gz GPBPVTVHZVYXKN-JSGCOSHPSA-N 0 3 303.406 2.009 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2oc(C3CC3)nc2C)[C@H](C)C1 ZINC000943498394 649389295 /nfs/dbraw/zinc/38/92/95/649389295.db2.gz PLBFDXMLJSVJRZ-BXUZGUMPSA-N 0 3 303.406 2.487 20 30 DEEDHN C#CCCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184901382 649405111 /nfs/dbraw/zinc/40/51/11/649405111.db2.gz IGYOQVREMOQXAK-UHFFFAOYSA-N 0 3 314.433 2.363 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](C)C1 ZINC000943745577 649418736 /nfs/dbraw/zinc/41/87/36/649418736.db2.gz UJKQJQINYONEHT-ZFWWWQNUSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(CCC)nc2C)[C@@H](C)C1 ZINC000943765402 649421692 /nfs/dbraw/zinc/42/16/92/649421692.db2.gz CMXWQJOJLQQXHS-WMLDXEAASA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC(C)C)n2)[C@@H](C)C1 ZINC000943797114 649430272 /nfs/dbraw/zinc/43/02/72/649430272.db2.gz HGFXPPPIHLEEKJ-GJZGRUSLSA-N 0 3 317.433 2.495 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2scc3c2OCCO3)[C@H](C)C1 ZINC000943951228 649462811 /nfs/dbraw/zinc/46/28/11/649462811.db2.gz UHDSXHXNEHUFNV-VXGBXAGGSA-N 0 3 322.430 2.146 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3ccncc3c2)[C@H](C)C1 ZINC000943989837 649468820 /nfs/dbraw/zinc/46/88/20/649468820.db2.gz XKTLTVHKYCVHHH-RDTXWAMCSA-N 0 3 307.397 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H](C)C1 ZINC000944044887 649474689 /nfs/dbraw/zinc/47/46/89/649474689.db2.gz AZEBWKBYVVEXGS-ZFWWWQNUSA-N 0 3 316.449 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H](C)C1 ZINC000944044887 649474690 /nfs/dbraw/zinc/47/46/90/649474690.db2.gz AZEBWKBYVVEXGS-ZFWWWQNUSA-N 0 3 316.449 2.305 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@H](C)C1 ZINC000944061501 649478415 /nfs/dbraw/zinc/47/84/15/649478415.db2.gz FSJFRSVXINGGHS-HIFRSBDPSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000944213635 649498576 /nfs/dbraw/zinc/49/85/76/649498576.db2.gz FOWDZDXSODWTJN-RHSMWYFYSA-N 0 3 302.393 2.136 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nn(C)c3ccccc32)[C@@H](C)C1 ZINC000944225267 649500340 /nfs/dbraw/zinc/50/03/40/649500340.db2.gz ARVHHNOUWLQADP-ZFWWWQNUSA-N 0 3 312.417 2.200 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CC(C)C)c2C)[C@H](C)C1 ZINC000944443087 649526946 /nfs/dbraw/zinc/52/69/46/649526946.db2.gz GAMUXDJLJBWURD-PBHICJAKSA-N 0 3 318.465 2.474 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000831243831 649559369 /nfs/dbraw/zinc/55/93/69/649559369.db2.gz XSJDKFNDYXQRKV-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@H](C)C1 ZINC000945009132 649598373 /nfs/dbraw/zinc/59/83/73/649598373.db2.gz YUFSPOQOVPGRTO-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H](O)c1ccccc1F ZINC000844367252 651118045 /nfs/dbraw/zinc/11/80/45/651118045.db2.gz NCGFZNJIFDJMOA-ROUUACIJSA-N 0 3 314.360 2.396 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@]3(CC3(F)F)C2)CC1 ZINC000844958856 651187522 /nfs/dbraw/zinc/18/75/22/651187522.db2.gz ZLELXOFUPZQNOH-HNNXBMFYSA-N 0 3 313.392 2.468 20 30 DEEDHN N#CC(C(=O)CC1(Cn2cnnn2)CCCCC1)c1ccccn1 ZINC000845442505 651243723 /nfs/dbraw/zinc/24/37/23/651243723.db2.gz YPHGNZODKVGBIW-CQSZACIVSA-N 0 3 324.388 2.285 20 30 DEEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000845607505 651259841 /nfs/dbraw/zinc/25/98/41/651259841.db2.gz SHEFTGBLAXIWRW-UHFFFAOYSA-N 0 3 321.421 2.276 20 30 DEEDHN C=C[C@@H](C)ONC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000845615734 651261002 /nfs/dbraw/zinc/26/10/02/651261002.db2.gz PRZOQCOPBKWXHD-PBHICJAKSA-N 0 3 303.406 2.456 20 30 DEEDHN C=C[C@@H](C)ONC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000846544028 651337168 /nfs/dbraw/zinc/33/71/68/651337168.db2.gz DPPHKDXJNNTVPV-CQSZACIVSA-N 0 3 303.406 2.064 20 30 DEEDHN COc1ccc2c(c1)[C@H](C(=O)C(C#N)C(=O)NC1CC1)CCC2 ZINC000847624298 651406100 /nfs/dbraw/zinc/40/61/00/651406100.db2.gz NNBPNUQTFPYLPH-GDBMZVCRSA-N 0 3 312.369 2.103 20 30 DEEDHN CC(=O)Nc1cc(NC(=O)[C@@H](N)CCCCC#N)c(F)cc1F ZINC000848398881 651456218 /nfs/dbraw/zinc/45/62/18/651456218.db2.gz XTUHOAWWUDKRAM-LBPRGKRZSA-N 0 3 324.331 2.273 20 30 DEEDHN C=CCOc1cccc(CNC[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848577282 651474261 /nfs/dbraw/zinc/47/42/61/651474261.db2.gz CXBJPOQFWDUAKE-INIZCTEOSA-N 0 3 302.374 2.324 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000854664628 651530381 /nfs/dbraw/zinc/53/03/81/651530381.db2.gz ZGGMNDFKAIWSFB-WMZOPIPTSA-N 0 3 314.429 2.260 20 30 DEEDHN C=CCCC(C)(C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000856375240 651910894 /nfs/dbraw/zinc/91/08/94/651910894.db2.gz ROVVCTVTWHAXRP-JKSUJKDBSA-N 0 3 318.465 2.316 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C#N)CCOCC1 ZINC000850738264 651977013 /nfs/dbraw/zinc/97/70/13/651977013.db2.gz JCSNSCRFEAVMSP-ZDUSSCGKSA-N 0 3 322.368 2.460 20 30 DEEDHN COCCCOCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782507 651989004 /nfs/dbraw/zinc/98/90/04/651989004.db2.gz NDLBQZYMFLCZLG-GFCCVEGCSA-N 0 3 302.330 2.447 20 30 DEEDHN C#CCOCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000851735580 652221717 /nfs/dbraw/zinc/22/17/17/652221717.db2.gz XZOOUXKINJQHBW-SFHVURJKSA-N 0 3 303.402 2.326 20 30 DEEDHN C=CCC1(NCc2cn(C)nc2Br)CCOCC1 ZINC000858188715 652275648 /nfs/dbraw/zinc/27/56/48/652275648.db2.gz AOUCLCPRJBDEIV-UHFFFAOYSA-N 0 3 314.227 2.398 20 30 DEEDHN CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(CC#N)CC2)C1 ZINC000851920410 652281147 /nfs/dbraw/zinc/28/11/47/652281147.db2.gz NPHROBOXNYWHFY-HNNXBMFYSA-N 0 3 323.437 2.248 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC(c2ccco2)CC1 ZINC000852358657 652391371 /nfs/dbraw/zinc/39/13/71/652391371.db2.gz XNXMJVJXHRLFNO-UHFFFAOYSA-N 0 3 303.406 2.124 20 30 DEEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)C(=O)NCc1ccccc1 ZINC000111944615 652644449 /nfs/dbraw/zinc/64/44/49/652644449.db2.gz AGVVVCVSWIWWGZ-JKSUJKDBSA-N 0 3 314.385 2.361 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)SC)NCc1ccc(C#N)s1 ZINC001373736461 1157324977 /nfs/dbraw/zinc/32/49/77/1157324977.db2.gz NGSFTMZJGVDHNM-GHMZBOCLSA-N 0 3 311.476 2.356 20 30 DEEDHN CC[C@@H](CNC(=O)CCCF)NCc1ccc(C#N)c(F)c1 ZINC001373783150 1157361388 /nfs/dbraw/zinc/36/13/88/1157361388.db2.gz SEQOCFSASQIPLT-AWEZNQCLSA-N 0 3 309.360 2.431 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)CCCC2CC2)CC1 ZINC001393776555 1157964992 /nfs/dbraw/zinc/96/49/92/1157964992.db2.gz RCPJRYMASCRUTP-UHFFFAOYSA-N 0 3 314.857 2.262 20 30 DEEDHN C#CC[C@H](CCOC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000859027158 685639517 /nfs/dbraw/zinc/63/95/17/685639517.db2.gz YLIWNILRMUIDON-IAGOWNOFSA-N 0 3 317.433 2.017 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000119645526 684084554 /nfs/dbraw/zinc/08/45/54/684084554.db2.gz WERJTXGNKZKNHQ-SWLSCSKDSA-N 0 3 316.357 2.324 20 30 DEEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)Nc2ccccn2)c(C)c1 ZINC000126412549 684154039 /nfs/dbraw/zinc/15/40/39/684154039.db2.gz KOUOGAKKSGZLBG-AWEZNQCLSA-N 0 3 323.352 2.425 20 30 DEEDHN Cc1cccc(C)c1OCCC(=O)C(C#N)C(=O)NC(C)C ZINC000130981051 684194764 /nfs/dbraw/zinc/19/47/64/684194764.db2.gz SSCFSDGTCUSEGN-CQSZACIVSA-N 0 3 302.374 2.306 20 30 DEEDHN N#CC(C(=O)CSCC(F)(F)F)C(=O)Nc1ccccn1 ZINC000156161395 684285989 /nfs/dbraw/zinc/28/59/89/684285989.db2.gz YIKXKFNJPOPYSX-MRVPVSSYSA-N 0 3 317.292 2.024 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1scnc1C)C2 ZINC001054092738 693840768 /nfs/dbraw/zinc/84/07/68/693840768.db2.gz QYRMZXSEXXUMEB-QGZVFWFLSA-N 0 3 317.458 2.403 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001054101918 693845578 /nfs/dbraw/zinc/84/55/78/693845578.db2.gz IEBMLFPQIPQLBV-CRAIPNDOSA-N 0 3 312.417 2.056 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1CC(F)(F)C1)C2 ZINC001054114849 693850253 /nfs/dbraw/zinc/85/02/53/693850253.db2.gz MQXSZRLQSRVDIH-INIZCTEOSA-N 0 3 310.388 2.370 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c(C)ccn1C)C2 ZINC001054123598 693854254 /nfs/dbraw/zinc/85/42/54/693854254.db2.gz YTZSAIMLMRWDKU-LJQANCHMSA-N 0 3 313.445 2.285 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccnn1C(C)C)C2 ZINC001054138086 693859723 /nfs/dbraw/zinc/85/97/23/693859723.db2.gz KFQRNSDVVNZZAQ-SFHVURJKSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc(C)nc(C)c1)C2 ZINC001054140030 693859981 /nfs/dbraw/zinc/85/99/81/693859981.db2.gz XZJMQPBXFVLREQ-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccsn1)C2 ZINC001054151247 693864287 /nfs/dbraw/zinc/86/42/87/693864287.db2.gz FUNNGTJNQVNTTG-INIZCTEOSA-N 0 3 303.431 2.095 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccncc1CC)C2 ZINC001054156760 693865922 /nfs/dbraw/zinc/86/59/22/693865922.db2.gz WVMFXWQBHDVEMK-IBGZPJMESA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C)c(C)n1)C2 ZINC001054166174 693868793 /nfs/dbraw/zinc/86/87/93/693868793.db2.gz XRNZXPJZGIRABN-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3cccnc31)C2 ZINC001054186666 693875151 /nfs/dbraw/zinc/87/51/51/693875151.db2.gz YYDCXRSVPOWUOL-XLIONFOSSA-N 0 3 323.440 2.059 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCCCO1)C2 ZINC001054208560 693882791 /nfs/dbraw/zinc/88/27/91/693882791.db2.gz RFWYDSDIRPVDQS-HKUYNNGSSA-N 0 3 318.461 2.283 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCn1cccc1)C2 ZINC001054219475 693887399 /nfs/dbraw/zinc/88/73/99/693887399.db2.gz OFCSRGYQWGUISD-LJQANCHMSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1csc(Cl)n1)C2 ZINC001054223124 693889254 /nfs/dbraw/zinc/88/92/54/693889254.db2.gz NZYUOSQNQLRHQD-HNNXBMFYSA-N 0 3 323.849 2.358 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(Cl)cn1)C2 ZINC001054229727 693892572 /nfs/dbraw/zinc/89/25/72/693892572.db2.gz AYQGCCWJYJXMER-KRWDZBQOSA-N 0 3 317.820 2.296 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(OC)cc1)C2 ZINC001054232042 693893316 /nfs/dbraw/zinc/89/33/16/693893316.db2.gz HOGPZDRZQLIBTJ-LJQANCHMSA-N 0 3 312.413 2.257 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1c(C)nsc1C)C2 ZINC001054246176 693899108 /nfs/dbraw/zinc/89/91/08/693899108.db2.gz PYYNLNLGUBYPEX-QGZVFWFLSA-N 0 3 317.458 2.321 20 30 DEEDHN C=CCCN1Cc2ccc(CNC(=O)c3cc[n+]([O-])cc3)cc2C1 ZINC001054255628 693902586 /nfs/dbraw/zinc/90/25/86/693902586.db2.gz WKAOMEMVDXNTOK-UHFFFAOYSA-N 0 3 323.396 2.142 20 30 DEEDHN C=C(C)CN1Cc2ccc(CNC(=O)[C@@H]3CCCN3C)cc2C1 ZINC001054259257 693904947 /nfs/dbraw/zinc/90/49/47/693904947.db2.gz RRPRSJIIPHAYFD-SFHVURJKSA-N 0 3 313.445 2.289 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)OC ZINC000195492249 685100291 /nfs/dbraw/zinc/10/02/91/685100291.db2.gz AXUSOCVSKWYMBX-RYUDHWBXSA-N 0 3 304.346 2.158 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1CN(C(=O)C(C)C)C[C@@H]1C ZINC001054395851 693960034 /nfs/dbraw/zinc/96/00/34/693960034.db2.gz ADZKXFHSTXDIOX-BBRMVZONSA-N 0 3 315.417 2.159 20 30 DEEDHN CC1(C)[C@H](c2ccc(F)cc2)CCN1CC(=O)NCCC#N ZINC000859804620 685826933 /nfs/dbraw/zinc/82/69/33/685826933.db2.gz RGDDIOZGOMTZEZ-HNNXBMFYSA-N 0 3 303.381 2.423 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000860463409 685930068 /nfs/dbraw/zinc/93/00/68/685930068.db2.gz BSADPOMGTABVFB-FQKPHLNHSA-N 0 3 308.422 2.451 20 30 DEEDHN CC(=O)N[C@H](CC(C)C)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000860703067 685952931 /nfs/dbraw/zinc/95/29/31/685952931.db2.gz WHWFUOJPUWBPAD-CZUORRHYSA-N 0 3 324.384 2.357 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000861837337 686191160 /nfs/dbraw/zinc/19/11/60/686191160.db2.gz AMUMJGGQAFIWJE-GVDBMIGSSA-N 0 3 316.832 2.297 20 30 DEEDHN C#CCOc1ccc(C(=O)N(CC)C2CCN(C)CC2)cc1 ZINC000861895018 686201456 /nfs/dbraw/zinc/20/14/56/686201456.db2.gz NYJUICVGRQSREB-UHFFFAOYSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CC[C@H](COC)NCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000862549247 686321406 /nfs/dbraw/zinc/32/14/06/686321406.db2.gz XYRFGTBOVNKKEM-OAHLLOKOSA-N 0 3 317.385 2.139 20 30 DEEDHN N#Cc1cc([O-])ccc1-c1ccc(NC(=O)C2CC[NH2+]CC2)nc1 ZINC000863722602 686559425 /nfs/dbraw/zinc/55/94/25/686559425.db2.gz GPEKETYYUDLMRI-UHFFFAOYSA-N 0 3 322.368 2.264 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000930040851 694076191 /nfs/dbraw/zinc/07/61/91/694076191.db2.gz WPDNDYCVEAUHMN-CYBMUJFWSA-N 0 3 302.378 2.125 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cn(C)nc2C)C1 ZINC001054971245 694084572 /nfs/dbraw/zinc/08/45/72/694084572.db2.gz NHCIVOYDHISAPO-XJKSGUPXSA-N 0 3 318.465 2.267 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCC1([S@](C)=O)CCC1 ZINC000865553080 687257646 /nfs/dbraw/zinc/25/76/46/687257646.db2.gz KXCNDPVJDGTQFT-NRFANRHFSA-N 0 3 305.447 2.015 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1C ZINC000930180448 694105782 /nfs/dbraw/zinc/10/57/82/694105782.db2.gz OXRCFUGPGPZMEG-KOLCDFICSA-N 0 3 324.331 2.374 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001015786687 687421318 /nfs/dbraw/zinc/42/13/18/687421318.db2.gz NFUZRMSZKIABCF-INIZCTEOSA-N 0 3 300.377 2.071 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCc3sc(C)nc32)C1 ZINC001015982797 687490649 /nfs/dbraw/zinc/49/06/49/687490649.db2.gz VCLZZDLNWFAYEL-KBPBESRZSA-N 0 3 317.458 2.085 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001016164957 687546046 /nfs/dbraw/zinc/54/60/46/687546046.db2.gz OPQBNNFLFJVIKK-AWEZNQCLSA-N 0 3 312.369 2.173 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000930270816 694124316 /nfs/dbraw/zinc/12/43/16/694124316.db2.gz SOBZVARHBNVYQH-KSSFIOAISA-N 0 3 312.413 2.496 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001016440960 687622770 /nfs/dbraw/zinc/62/27/70/687622770.db2.gz OPLXRZIYNMVMDX-UYAOXDASSA-N 0 3 310.441 2.395 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc3occc3[nH]2)CC1 ZINC001016652772 687674408 /nfs/dbraw/zinc/67/44/08/687674408.db2.gz WUVUGXFLAGBWIJ-MRXNPFEDSA-N 0 3 311.385 2.369 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccccc2OCC=C)CC1 ZINC001016694807 687683213 /nfs/dbraw/zinc/68/32/13/687683213.db2.gz RFFLASZBUYOZHC-SFHVURJKSA-N 0 3 324.424 2.469 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)c(OC)c2)CC1 ZINC001016715444 687688538 /nfs/dbraw/zinc/68/85/38/687688538.db2.gz LEHKQYUVKDJQAU-QGZVFWFLSA-N 0 3 312.413 2.221 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001016725550 687691180 /nfs/dbraw/zinc/69/11/80/687691180.db2.gz ICZMMPWRIQDUFH-QGZVFWFLSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc3c(c2)[C@@H](C)CO3)CC1 ZINC001016787019 687701863 /nfs/dbraw/zinc/70/18/63/687701863.db2.gz RQRDMZNYXJWLQA-KBXCAEBGSA-N 0 3 324.424 2.400 20 30 DEEDHN C[C@H](NC(=O)[C@@]1(C#N)CCCOC1)[C@H](c1ccccc1)N(C)C ZINC000867471009 687708509 /nfs/dbraw/zinc/70/85/09/687708509.db2.gz VWWJAGMLLQVNSB-YXJHDRRASA-N 0 3 315.417 2.114 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ocnc2C(F)F)CC1 ZINC001016828802 687711620 /nfs/dbraw/zinc/71/16/20/687711620.db2.gz IMDHPPCOPHMEJS-LLVKDONJSA-N 0 3 323.343 2.220 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc3ccccn3c2)CC1 ZINC001016861040 687720714 /nfs/dbraw/zinc/72/07/14/687720714.db2.gz MVLHRWBHTLUVIO-QGZVFWFLSA-N 0 3 307.397 2.157 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2coc(CCC)n2)CC1 ZINC001016925273 687734559 /nfs/dbraw/zinc/73/45/59/687734559.db2.gz HWCSQUVQAMKDPF-OAHLLOKOSA-N 0 3 315.417 2.235 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C(C2CC2)C2CC2)CC1 ZINC001016923372 687734630 /nfs/dbraw/zinc/73/46/30/687734630.db2.gz ILLSJGBASANUMF-INIZCTEOSA-N 0 3 300.446 2.417 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cnn(C(C)C)c2)CC1 ZINC001016928526 687735605 /nfs/dbraw/zinc/73/56/05/687735605.db2.gz YALHGNKHBAOXNS-MRXNPFEDSA-N 0 3 314.433 2.072 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3cnccc32)CC1 ZINC001016970548 687746196 /nfs/dbraw/zinc/74/61/96/687746196.db2.gz XNFKADXUWCPLAB-GOSISDBHSA-N 0 3 319.408 2.452 20 30 DEEDHN Cc1ncoc1CN(C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017127345 687797443 /nfs/dbraw/zinc/79/74/43/687797443.db2.gz NTMVMAJCRGURBD-INIZCTEOSA-N 0 3 315.417 2.067 20 30 DEEDHN N#CCc1ccsc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000867970348 687855579 /nfs/dbraw/zinc/85/55/79/687855579.db2.gz AUECTRQVLUSTNQ-OAHLLOKOSA-N 0 3 311.410 2.431 20 30 DEEDHN CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017479863 687899434 /nfs/dbraw/zinc/89/94/34/687899434.db2.gz GDUCNKSOVNJWQN-AEGPPILISA-N 0 3 300.406 2.221 20 30 DEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001017945573 688008444 /nfs/dbraw/zinc/00/84/44/688008444.db2.gz RUHCTWXACAJLOR-RVKKMQEKSA-N 0 3 323.456 2.060 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)nc1C ZINC001017961620 688009946 /nfs/dbraw/zinc/00/99/46/688009946.db2.gz SORHEIMCOBNODL-GASCZTMLSA-N 0 3 302.422 2.282 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000930433827 694161833 /nfs/dbraw/zinc/16/18/33/694161833.db2.gz DADUUCRASAGVRH-UHFFFAOYSA-N 0 3 304.781 2.288 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018723796 688217784 /nfs/dbraw/zinc/21/77/84/688217784.db2.gz YELJXVYCZAJREG-GJZGRUSLSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC001019221098 688302807 /nfs/dbraw/zinc/30/28/07/688302807.db2.gz PDVOZGHWMODJOY-INIZCTEOSA-N 0 3 300.377 2.071 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cnn(CC(C)C)c1CC ZINC000930554734 694188879 /nfs/dbraw/zinc/18/88/79/694188879.db2.gz PBVTYHOOSOGRPZ-UHFFFAOYSA-N 0 3 319.453 2.178 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001019257490 688312066 /nfs/dbraw/zinc/31/20/66/688312066.db2.gz XCNSULSJGPGYHH-GOEBONIOSA-N 0 3 321.371 2.382 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)c3ccncc3)C2)c(F)c1 ZINC001019937397 688423421 /nfs/dbraw/zinc/42/34/21/688423421.db2.gz HDGPWVPALNZGCI-WKILWMFISA-N 0 3 324.359 2.143 20 30 DEEDHN N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)c3ccco3)C2)c(F)c1 ZINC001019941594 688424520 /nfs/dbraw/zinc/42/45/20/688424520.db2.gz ICMYSOYOJYEYRY-HDJSIYSDSA-N 0 3 313.332 2.341 20 30 DEEDHN C=C(Cl)C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(=O)OCC ZINC000870031757 688463799 /nfs/dbraw/zinc/46/37/99/688463799.db2.gz XKIWBZLMFZLAJA-UPJWGTAASA-N 0 3 316.829 2.050 20 30 DEEDHN Cc1cccc(CO[C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000870134254 688493456 /nfs/dbraw/zinc/49/34/56/688493456.db2.gz LPBWFDHXGHDSHQ-ZBFHGGJFSA-N 0 3 314.385 2.231 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001020370793 688510556 /nfs/dbraw/zinc/51/05/56/688510556.db2.gz VYMCRPRAGGSQDC-RBSFLKMASA-N 0 3 320.820 2.227 20 30 DEEDHN N#CC(C(=O)c1c(C(F)F)nc2n1CCCC2)c1ccncn1 ZINC000870287854 688531699 /nfs/dbraw/zinc/53/16/99/688531699.db2.gz MCUBXWMIKAQXQI-VIFPVBQESA-N 0 3 317.299 2.437 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001028839026 688545362 /nfs/dbraw/zinc/54/53/62/688545362.db2.gz OXUCZPODHGBZHB-INIZCTEOSA-N 0 3 314.429 2.469 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001029012279 688549031 /nfs/dbraw/zinc/54/90/31/688549031.db2.gz KLKSZUXWZIZRRW-SWLSCSKDSA-N 0 3 302.805 2.051 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1C[C@H](C)N(CCO)C[C@H]1C ZINC000930742757 694230597 /nfs/dbraw/zinc/23/05/97/694230597.db2.gz JWCKRTVSKBSKKQ-JKSUJKDBSA-N 0 3 301.434 2.062 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cnc2c(c1)CCCC2 ZINC000930769733 694237552 /nfs/dbraw/zinc/23/75/52/694237552.db2.gz ZVANKBHRUAOVDG-UHFFFAOYSA-N 0 3 300.406 2.037 20 30 DEEDHN CN(C)C(=O)[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000871929065 688896653 /nfs/dbraw/zinc/89/66/53/688896653.db2.gz QPFVIRKIQABAFA-RBUKOAKNSA-N 0 3 319.408 2.445 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C(F)(F)F)s1 ZINC000872247479 688962730 /nfs/dbraw/zinc/96/27/30/688962730.db2.gz MHONMMJPBFMNSN-SNVBAGLBSA-N 0 3 321.368 2.063 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872286547 688974942 /nfs/dbraw/zinc/97/49/42/688974942.db2.gz KNZABQOVFYYCHG-HZPDHXFCSA-N 0 3 307.438 2.348 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001031683201 688979199 /nfs/dbraw/zinc/97/91/99/688979199.db2.gz POYNBGOMVUOCAW-UHFFFAOYSA-N 0 3 318.808 2.225 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001031799314 688999730 /nfs/dbraw/zinc/99/97/30/688999730.db2.gz CLMZHPRRQMNRIT-ZDUSSCGKSA-N 0 3 304.438 2.400 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001031948337 689027181 /nfs/dbraw/zinc/02/71/81/689027181.db2.gz VINAFDFJSNJJPD-UHFFFAOYSA-N 0 3 307.397 2.162 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC23CC(OCC)C3)CC1 ZINC000872880431 689112340 /nfs/dbraw/zinc/11/23/40/689112340.db2.gz DYSBDOQCKQZFBG-UPTPFMHGSA-N 0 3 321.465 2.284 20 30 DEEDHN CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032338221 689124409 /nfs/dbraw/zinc/12/44/09/689124409.db2.gz QLLWMTUOMBLBPB-KBPBESRZSA-N 0 3 300.406 2.221 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C1CCC1 ZINC001032407959 689143260 /nfs/dbraw/zinc/14/32/60/689143260.db2.gz JUFHIGZLGBQQBI-HOTGVXAUSA-N 0 3 314.433 2.473 20 30 DEEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873144843 689169661 /nfs/dbraw/zinc/16/96/61/689169661.db2.gz HLHKROBHWSZNCW-KRWDZBQOSA-N 0 3 313.401 2.068 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCOCC2)CC1 ZINC001032607352 689199753 /nfs/dbraw/zinc/19/97/53/689199753.db2.gz PEHXDFVLRSHUCG-ROUUACIJSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nccnc21 ZINC001032699441 689228212 /nfs/dbraw/zinc/22/82/12/689228212.db2.gz RATMKHRLNTVMFU-GJZGRUSLSA-N 0 3 322.412 2.495 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCCC2 ZINC001032718464 689236249 /nfs/dbraw/zinc/23/62/49/689236249.db2.gz YHQVSPUNNFETNO-GJZGRUSLSA-N 0 3 314.433 2.084 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)cn1 ZINC001032739381 689242024 /nfs/dbraw/zinc/24/20/24/689242024.db2.gz BCKWMIWXBNIGAL-ROUUACIJSA-N 0 3 323.440 2.398 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(CC)CC)nc1 ZINC001032738116 689242163 /nfs/dbraw/zinc/24/21/63/689242163.db2.gz QOSLHZJGZDCVIU-IRXDYDNUSA-N 0 3 311.429 2.398 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nccnc2c1 ZINC001032770763 689255236 /nfs/dbraw/zinc/25/52/36/689255236.db2.gz FMGLDLITNDLOAK-HOTGVXAUSA-N 0 3 322.412 2.495 20 30 DEEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873498543 689259240 /nfs/dbraw/zinc/25/92/40/689259240.db2.gz WNIOMRYYMYCSDN-HNNXBMFYSA-N 0 3 306.406 2.373 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cn(-c3ccccc3)cn2)C1 ZINC001033097509 689386095 /nfs/dbraw/zinc/38/60/95/689386095.db2.gz VHDVEOFVJLLHQJ-QGZVFWFLSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc3cc(C)ccn23)C1 ZINC001033104597 689387633 /nfs/dbraw/zinc/38/76/33/689387633.db2.gz YDIRWYNQJFGELD-HNNXBMFYSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000930939205 694279577 /nfs/dbraw/zinc/27/95/77/694279577.db2.gz DKQMHJQRMVDFNV-BBRMVZONSA-N 0 3 313.401 2.303 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3cc(C)cn3c2)C1 ZINC001033131888 689400116 /nfs/dbraw/zinc/40/01/16/689400116.db2.gz KXJIHPBPXRWHPJ-SFHVURJKSA-N 0 3 309.413 2.417 20 30 DEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2nc3cccnc3s2)C1 ZINC001033145695 689404347 /nfs/dbraw/zinc/40/43/47/689404347.db2.gz OJMPIDFKRJWASZ-GFCCVEGCSA-N 0 3 316.430 2.414 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001033164184 689409215 /nfs/dbraw/zinc/40/92/15/689409215.db2.gz BQGHLPQPJHBAED-OAHLLOKOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(F)c(C)cc2F)C1 ZINC001033166573 689410230 /nfs/dbraw/zinc/41/02/30/689410230.db2.gz UCLSGGBIGVKPNO-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cncc(OC)c2C)C1 ZINC001033190961 689419398 /nfs/dbraw/zinc/41/93/98/689419398.db2.gz NCMBZRKMOAKHRN-AWEZNQCLSA-N 0 3 303.406 2.121 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001033204905 689424537 /nfs/dbraw/zinc/42/45/37/689424537.db2.gz VNLIMXPTGKHDQX-CQSZACIVSA-N 0 3 318.421 2.004 20 30 DEEDHN C#CCN1CCC(C(=O)NC2CC(Nc3ccccc3)C2)CC1 ZINC000874716000 689471781 /nfs/dbraw/zinc/47/17/81/689471781.db2.gz NDSJDCTXWPIMTQ-UHFFFAOYSA-N 0 3 311.429 2.091 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001033384383 689483055 /nfs/dbraw/zinc/48/30/55/689483055.db2.gz UHWQVFJNPCFMGD-AWEZNQCLSA-N 0 3 318.465 2.440 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cnn(CCCC)c2C)C1 ZINC001033569343 689546833 /nfs/dbraw/zinc/54/68/33/689546833.db2.gz UYVOEBSONGFBAE-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccccc2OC)C1 ZINC001033641541 689569128 /nfs/dbraw/zinc/56/91/28/689569128.db2.gz FPAFEHHPGOWYNB-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001033835674 689632487 /nfs/dbraw/zinc/63/24/87/689632487.db2.gz KMHHPYQJVYSTNT-LSDHHAIUSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnn2C(F)F)C1 ZINC001033846176 689636245 /nfs/dbraw/zinc/63/62/45/689636245.db2.gz LULRACRLCGMGAN-GFCCVEGCSA-N 0 3 312.364 2.391 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cncc3[nH]ccc32)C1 ZINC001033883963 689649974 /nfs/dbraw/zinc/64/99/74/689649974.db2.gz FSUAQSPOPFZBQA-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn3cncc3c2)C1 ZINC001033884048 689649988 /nfs/dbraw/zinc/64/99/88/689649988.db2.gz XAEVJKHOQWOBNR-INIZCTEOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nncc3ccccc32)C1 ZINC001033901566 689656424 /nfs/dbraw/zinc/65/64/24/689656424.db2.gz VOXWKGKLPFMMGQ-INIZCTEOSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033939304 689668101 /nfs/dbraw/zinc/66/81/01/689668101.db2.gz GYVREVAQWLPXGK-WMZOPIPTSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001033957240 689674052 /nfs/dbraw/zinc/67/40/52/689674052.db2.gz JYLMYVRRHWJQJK-KRWDZBQOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033962702 689674890 /nfs/dbraw/zinc/67/48/90/689674890.db2.gz YJZAKSGWCNTFDA-ARFHVFGLSA-N 0 3 300.402 2.329 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)nn2C)C1 ZINC001034010782 689692083 /nfs/dbraw/zinc/69/20/83/689692083.db2.gz WYUDJCQWTJVDSB-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001034015204 689693505 /nfs/dbraw/zinc/69/35/05/689693505.db2.gz MBTBQUMTROKTMM-MRXNPFEDSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2)C1 ZINC001034022392 689696365 /nfs/dbraw/zinc/69/63/65/689696365.db2.gz ATZXLSQDBWHQPM-MRXNPFEDSA-N 0 3 300.402 2.255 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cn3ccccc3n2)C1 ZINC001034031817 689700263 /nfs/dbraw/zinc/70/02/63/689700263.db2.gz HCNOLUZAQORVRX-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC001034059179 689709915 /nfs/dbraw/zinc/70/99/15/689709915.db2.gz BBQPQMMJEYWILZ-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001034218932 689767645 /nfs/dbraw/zinc/76/76/45/689767645.db2.gz JKJICAKBQPMTPI-GFCCVEGCSA-N 0 3 309.435 2.312 20 30 DEEDHN CC#CCN1CCCC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001034253345 689783493 /nfs/dbraw/zinc/78/34/93/689783493.db2.gz HRHOQVVRJGVPOI-LBPRGKRZSA-N 0 3 322.840 2.233 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001034279792 689791664 /nfs/dbraw/zinc/79/16/64/689791664.db2.gz XFAMJFBOBCDFLJ-INIZCTEOSA-N 0 3 324.428 2.181 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001034415420 689842334 /nfs/dbraw/zinc/84/23/34/689842334.db2.gz IKEBEGFLNGNSAZ-HNNXBMFYSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001034428650 689846548 /nfs/dbraw/zinc/84/65/48/689846548.db2.gz PFYPJKDFBKTERA-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000876573059 689861600 /nfs/dbraw/zinc/86/16/00/689861600.db2.gz UDEIWZHROOKJDL-CQSZACIVSA-N 0 3 323.824 2.367 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(NC(=O)CC)c1 ZINC000876581386 689865118 /nfs/dbraw/zinc/86/51/18/689865118.db2.gz HZHPDOGTQYIMLG-ZDUSSCGKSA-N 0 3 309.797 2.121 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000876601038 689872347 /nfs/dbraw/zinc/87/23/47/689872347.db2.gz XLPBGMHUWUYKQO-ZDUSSCGKSA-N 0 3 323.780 2.047 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOCCc1ccccc1 ZINC000876608719 689874763 /nfs/dbraw/zinc/87/47/63/689874763.db2.gz DBWCKTXCTBWKQA-HNNXBMFYSA-N 0 3 310.825 2.222 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncccc2OC)C1 ZINC001034511299 689879810 /nfs/dbraw/zinc/87/98/10/689879810.db2.gz PRPQEINIEBCDNQ-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001034519225 689883004 /nfs/dbraw/zinc/88/30/04/689883004.db2.gz BORIZOSUOXPWGW-CQSZACIVSA-N 0 3 305.447 2.368 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000876646836 689887568 /nfs/dbraw/zinc/88/75/68/689887568.db2.gz YDFZAPDNQHLNIP-KGLIPLIRSA-N 0 3 312.772 2.196 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1ccccc1OC ZINC000876645855 689887610 /nfs/dbraw/zinc/88/76/10/689887610.db2.gz NRLLLXZGRIIKHC-GFCCVEGCSA-N 0 3 312.797 2.050 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001034556753 689898541 /nfs/dbraw/zinc/89/85/41/689898541.db2.gz IHRXVUOSHXYYOP-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000876682558 689900941 /nfs/dbraw/zinc/90/09/41/689900941.db2.gz JVETUBKLHIQQFD-GWCFXTLKSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000876689716 689903744 /nfs/dbraw/zinc/90/37/44/689903744.db2.gz KIUQHRCGNMQDOB-ZDUSSCGKSA-N 0 3 322.796 2.015 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000876694775 689905923 /nfs/dbraw/zinc/90/59/23/689905923.db2.gz NXEZLUIMFAHFFW-GFCCVEGCSA-N 0 3 323.780 2.360 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)c2ccc[nH]2)s1 ZINC001034855257 689966427 /nfs/dbraw/zinc/96/64/27/689966427.db2.gz BVWSYHFBGRGVFM-GFCCVEGCSA-N 0 3 314.414 2.342 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000876895724 689966896 /nfs/dbraw/zinc/96/68/96/689966896.db2.gz JWBWCBNXNRTXTA-NHYWBVRUSA-N 0 3 310.825 2.460 20 30 DEEDHN Cc1nn(C)c(C)c1CCNCc1cc(C#N)cnc1Cl ZINC000876907398 689970463 /nfs/dbraw/zinc/97/04/63/689970463.db2.gz DXXMHSHQVWIHGX-UHFFFAOYSA-N 0 3 303.797 2.289 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000876933912 689976238 /nfs/dbraw/zinc/97/62/38/689976238.db2.gz ANQIKBLGYWOSBV-SECBINFHSA-N 0 3 318.707 2.094 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000876941701 689978387 /nfs/dbraw/zinc/97/83/87/689978387.db2.gz OPMASXWSVLBIGO-XQHKEYJVSA-N 0 3 302.846 2.412 20 30 DEEDHN Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)[C@@H](C)C#N)c1 ZINC001034887386 689978412 /nfs/dbraw/zinc/97/84/12/689978412.db2.gz VSHQXRZKLWYSIQ-DZGCQCFKSA-N 0 3 303.381 2.374 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccnc2ccccc12 ZINC000876960521 689983384 /nfs/dbraw/zinc/98/33/84/689983384.db2.gz FHIDUJYLSVHQNB-CQSZACIVSA-N 0 3 303.793 2.363 20 30 DEEDHN C#CCOc1ccccc1CNC[C@@H](OC)C1CCOCC1 ZINC000877047097 690007047 /nfs/dbraw/zinc/00/70/47/690007047.db2.gz WIHNDJZCRHCFMV-GOSISDBHSA-N 0 3 303.402 2.230 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000877134644 690026255 /nfs/dbraw/zinc/02/62/55/690026255.db2.gz WJWPJPXLUHFBPC-NSHDSACASA-N 0 3 311.813 2.171 20 30 DEEDHN Cc1csc([C@H]2CCN(C(=O)[C@@H](N)CCCCC#N)C2)n1 ZINC000877350688 690086212 /nfs/dbraw/zinc/08/62/12/690086212.db2.gz GJWUKNCMKSLTJX-STQMWFEESA-N 0 3 306.435 2.179 20 30 DEEDHN COC(=O)N1CCC(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877517867 690138601 /nfs/dbraw/zinc/13/86/01/690138601.db2.gz BILREHZHCJDYOR-UHFFFAOYSA-N 0 3 322.796 2.175 20 30 DEEDHN C=C(C)CCN1CC2(C1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC001035673636 690148827 /nfs/dbraw/zinc/14/88/27/690148827.db2.gz UBSUNNHGNWXGSF-UHFFFAOYSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ncoc1CC)CC2 ZINC001035675594 690149287 /nfs/dbraw/zinc/14/92/87/690149287.db2.gz WIAPOXMBTSJRGZ-UHFFFAOYSA-N 0 3 303.406 2.351 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1sccc1F)CC2 ZINC001035702608 690155972 /nfs/dbraw/zinc/15/59/72/690155972.db2.gz XBEHMLVUZCVWHX-UHFFFAOYSA-N 0 3 306.406 2.449 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(CC)ccn1)CC2 ZINC001035714375 690158712 /nfs/dbraw/zinc/15/87/12/690158712.db2.gz OKUFEWCSKRKZLQ-UHFFFAOYSA-N 0 3 311.429 2.205 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccncc1CC)CC2 ZINC001035737319 690164330 /nfs/dbraw/zinc/16/43/30/690164330.db2.gz ZVUBQRUPHFSWRS-UHFFFAOYSA-N 0 3 311.429 2.205 20 30 DEEDHN CC(C)(C)N1C[C@@H](CNCc2cc(C#N)cnc2Cl)CC1=O ZINC000877636204 690174195 /nfs/dbraw/zinc/17/41/95/690174195.db2.gz PVGFVOMTGBSHBY-GFCCVEGCSA-N 0 3 320.824 2.343 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@H](C)O1)CC2 ZINC001035784589 690175408 /nfs/dbraw/zinc/17/54/08/690175408.db2.gz LKDFJFROWHXJHK-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccn(CC)n1)CC2 ZINC001035810536 690182552 /nfs/dbraw/zinc/18/25/52/690182552.db2.gz OJMXSEZJLWUQOV-UHFFFAOYSA-N 0 3 302.422 2.017 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCC1CCOCC1)CC2 ZINC001035811994 690183165 /nfs/dbraw/zinc/18/31/65/690183165.db2.gz LXCXHELSBUJVLX-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc(F)ccc1C#N ZINC001035876575 690202755 /nfs/dbraw/zinc/20/27/55/690202755.db2.gz ALVDIIRAKWHNPR-SJCJKPOMSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2ccn(C)n2)[C@H](C)C1 ZINC001036136918 690271970 /nfs/dbraw/zinc/27/19/70/690271970.db2.gz KVUGDKBHENKPFR-ZBFHGGJFSA-N 0 3 318.465 2.349 20 30 DEEDHN CCN1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878036089 690290137 /nfs/dbraw/zinc/29/01/37/690290137.db2.gz FTHAWOXLUADFNA-IBGZPJMESA-N 0 3 313.445 2.455 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@H](O)CC1)c1ccccc1 ZINC000878658213 690469258 /nfs/dbraw/zinc/46/92/58/690469258.db2.gz VERVFCWFAFKVCN-ROUUACIJSA-N 0 3 300.402 2.274 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccnn2C)C1 ZINC001036792541 690476631 /nfs/dbraw/zinc/47/66/31/690476631.db2.gz QYSYWQCFSPYZRN-HOCLYGCPSA-N 0 3 316.449 2.055 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c2c(nn1C)CCCC2 ZINC001038298069 690772894 /nfs/dbraw/zinc/77/28/94/690772894.db2.gz BEFKRHOYRPNQEC-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@]2(CCc3ccccc32)C1 ZINC000879994716 690775232 /nfs/dbraw/zinc/77/52/32/690775232.db2.gz LMHCTWNRUBQRJK-DNVCBOLYSA-N 0 3 311.429 2.337 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001038334063 690785448 /nfs/dbraw/zinc/78/54/48/690785448.db2.gz ONXHZHHXNUNXQU-QAPCUYQASA-N 0 3 314.429 2.492 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1OC)CC2 ZINC000880183801 690833239 /nfs/dbraw/zinc/83/32/39/690833239.db2.gz ZYOZLHKTDYGSQU-AEFFLSMTSA-N 0 3 314.385 2.484 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038551024 690855325 /nfs/dbraw/zinc/85/53/25/690855325.db2.gz UDOAQQYBHVDTIR-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000880274481 690857300 /nfs/dbraw/zinc/85/73/00/690857300.db2.gz SDQGJVRUMPXEAE-CYBMUJFWSA-N 0 3 324.446 2.121 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038579569 690865350 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ZINC001039184577 691042501 /nfs/dbraw/zinc/04/25/01/691042501.db2.gz CVFIJXVKBCDLQD-WMZOPIPTSA-N 0 3 311.429 2.340 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn(C)c2)C1 ZINC001039197053 691049757 /nfs/dbraw/zinc/04/97/57/691049757.db2.gz IBBXUPFNIGAGAO-FUHWJXTLSA-N 0 3 313.445 2.365 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2csnc2C)C1 ZINC001039199784 691051134 /nfs/dbraw/zinc/05/11/34/691051134.db2.gz XAPPUMFXICSSIG-GOEBONIOSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ncoc2CC)C1 ZINC001039209950 691055702 /nfs/dbraw/zinc/05/57/02/691055702.db2.gz MZTCDJGHZVXLEN-CABCVRRESA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC2=CCOCC2)C1 ZINC001039232320 691063007 /nfs/dbraw/zinc/06/30/07/691063007.db2.gz VIPZRUPYAQFDDV-QZTJIDSGSA-N 0 3 316.445 2.059 20 30 DEEDHN Cc1ncc(CNC2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H](C)C#N)o1 ZINC001039269754 691072817 /nfs/dbraw/zinc/07/28/17/691072817.db2.gz UJMJHIUAERVZCF-JZIBPQBNSA-N 0 3 316.405 2.144 20 30 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UMXXRANIHPZONE-CABCVRRESA-N 0 3 318.465 2.397 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@H](NC[C@@H](F)CC)C(C)(C)C2)c1 ZINC001332424120 1149858757 /nfs/dbraw/zinc/85/87/57/1149858757.db2.gz RCBUXGCHGKYCSF-HOTGVXAUSA-N 0 3 317.408 2.251 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)CC2CC(OCC)C2)CC1 ZINC001332998125 1149949606 /nfs/dbraw/zinc/94/96/06/1149949606.db2.gz MOBHLGXVWABZND-UQPPLGOBSA-N 0 3 306.450 2.042 20 30 DEEDHN OC1CCN(c2ccc(C=NNC3CCSCC3)cc2)CC1 ZINC001333199647 1150014133 /nfs/dbraw/zinc/01/41/33/1150014133.db2.gz WBZDOAXMFBEXOY-UHFFFAOYSA-N 0 3 319.474 2.467 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CN(C(=O)CN(CC)CC)CC1(C)C ZINC001335266042 1150391465 /nfs/dbraw/zinc/39/14/65/1150391465.db2.gz ZUVWNGPKXZMOPL-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1ncncc1C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC001347064383 1151040183 /nfs/dbraw/zinc/04/01/83/1151040183.db2.gz XTDNKRFWZBBPJU-SNVBAGLBSA-N 0 3 314.732 2.400 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](CF)C1 ZINC001351862688 1151623343 /nfs/dbraw/zinc/62/33/43/1151623343.db2.gz WPNOXZDEMLAXJW-UONOGXRCSA-N 0 3 307.417 2.069 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001356325426 1152074475 /nfs/dbraw/zinc/07/44/75/1152074475.db2.gz SMYWCTLZHMXMTM-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1ncc(CN[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)s1 ZINC001480614856 1152587024 /nfs/dbraw/zinc/58/70/24/1152587024.db2.gz QRNJQMMGTWSHHD-ZDUSSCGKSA-N 0 3 305.447 2.192 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001402850618 1162498128 /nfs/dbraw/zinc/49/81/28/1162498128.db2.gz ITSALTQGBQXFEO-NEPJUHHUSA-N 0 3 323.437 2.291 20 30 DEEDHN Cc1cc[nH]c1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001380087026 1152748291 /nfs/dbraw/zinc/74/82/91/1152748291.db2.gz SLMLCYOWVIUTAG-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001380119945 1152752431 /nfs/dbraw/zinc/75/24/31/1152752431.db2.gz DFUFZLYAKGNVML-HUUCEWRRSA-N 0 3 324.428 2.435 20 30 DEEDHN Cc1ccncc1CN1CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001380123432 1152753102 /nfs/dbraw/zinc/75/31/02/1152753102.db2.gz SZRIUZOSBHTDGB-LSDHHAIUSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@H](C)SC)C1 ZINC001380152754 1152757969 /nfs/dbraw/zinc/75/79/69/1152757969.db2.gz OZGMXCUNOVNFRB-WHXUTIOJSA-N 0 3 321.284 2.226 20 30 DEEDHN Cc1cc(CNC[C@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)CC2)no1 ZINC001380683597 1152843782 /nfs/dbraw/zinc/84/37/82/1152843782.db2.gz ZKAYPPRVVRFEFX-QEJZJMRPSA-N 0 3 318.421 2.155 20 30 DEEDHN Cc1cncc(CN2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001380925196 1152878929 /nfs/dbraw/zinc/87/89/29/1152878929.db2.gz MGEOSJXJSOCHRH-GOEBONIOSA-N 0 3 300.406 2.020 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnoc2C2CC2)C1 ZINC001381335546 1153007899 /nfs/dbraw/zinc/00/78/99/1153007899.db2.gz QFFXASBEPHOEDE-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN Cc1cnoc1C(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC001381440169 1153061714 /nfs/dbraw/zinc/06/17/14/1153061714.db2.gz UAMQOOGTHXUSIY-QWRGUYRKSA-N 0 3 318.402 2.213 20 30 DEEDHN Cc1cccc(CN(C)[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001381506371 1153100681 /nfs/dbraw/zinc/10/06/81/1153100681.db2.gz HSJUJCDBQPZYNK-CQSZACIVSA-N 0 3 310.401 2.445 20 30 DEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC001362849077 1153113749 /nfs/dbraw/zinc/11/37/49/1153113749.db2.gz XNWKJBAGXXDFHO-GOEBONIOSA-N 0 3 315.417 2.315 20 30 DEEDHN CC(C)(C)OC(=O)[C@H]1CCN(C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001363205393 1153267449 /nfs/dbraw/zinc/26/74/49/1153267449.db2.gz GPGMNTLVXXKRRJ-JKSUJKDBSA-N 0 3 316.401 2.255 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1snnc1C1CC1 ZINC001390679660 1155836319 /nfs/dbraw/zinc/83/63/19/1155836319.db2.gz XJNCOUBWRZMVEQ-SECBINFHSA-N 0 3 314.842 2.266 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1COc2ccccc21 ZINC001371891076 1156055113 /nfs/dbraw/zinc/05/51/13/1156055113.db2.gz WOVPSOZPGBEDQE-OCCSQVGLSA-N 0 3 308.809 2.400 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1COc2ccccc21 ZINC001371891073 1156055860 /nfs/dbraw/zinc/05/58/60/1156055860.db2.gz WOVPSOZPGBEDQE-GXTWGEPZSA-N 0 3 308.809 2.400 20 30 DEEDHN CC[C@@H](CNC(=O)C(C)(C)COC)NCc1ccc(C#N)s1 ZINC001391703389 1156712646 /nfs/dbraw/zinc/71/26/46/1156712646.db2.gz CFQOMUGRIBWMDK-LBPRGKRZSA-N 0 3 323.462 2.277 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C1(C)CC1 ZINC001392067359 1156861518 /nfs/dbraw/zinc/86/15/18/1156861518.db2.gz TWDGQTFNHQSKTO-LBPRGKRZSA-N 0 3 303.381 2.434 20 30 DEEDHN Cc1ncc(CNC[C@@H](CC(C)C)NC(=O)[C@@H](C)C#N)s1 ZINC001392149258 1156876429 /nfs/dbraw/zinc/87/64/29/1156876429.db2.gz PKZXGMIRDLOIKF-WCQYABFASA-N 0 3 308.451 2.232 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)C1CCC1)C(C)C ZINC001392202197 1156889698 /nfs/dbraw/zinc/88/96/98/1156889698.db2.gz FJCDOSFJGPBWMA-GFCCVEGCSA-N 0 3 303.244 2.426 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1cccc(F)c1F ZINC001392210132 1156892250 /nfs/dbraw/zinc/89/22/50/1156892250.db2.gz IEQDNTPMUFUJQT-FZMZJTMJSA-N 0 3 309.360 2.355 20 30 DEEDHN CCO[C@H](CC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001392465568 1157059331 /nfs/dbraw/zinc/05/93/31/1157059331.db2.gz QWGGFGMPXDYQEO-BXUZGUMPSA-N 0 3 309.435 2.029 20 30 DEEDHN CC[C@H](CNC(=O)C1CC(OC)C1)NCc1ccc(C#N)s1 ZINC001373770024 1157352012 /nfs/dbraw/zinc/35/20/12/1157352012.db2.gz RKSZOGJJDSBRJP-OTTFEQOBSA-N 0 3 321.446 2.029 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001392995402 1157595373 /nfs/dbraw/zinc/59/53/73/1157595373.db2.gz WYHYWTBTELQVQO-INIZCTEOSA-N 0 3 313.873 2.004 20 30 DEEDHN C[C@H](C#N)C(=O)NC1(C)CCN(CCc2ccccc2F)CC1 ZINC001393058248 1157641184 /nfs/dbraw/zinc/64/11/84/1157641184.db2.gz LZLPOCBDXUXCHL-CQSZACIVSA-N 0 3 317.408 2.499 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC001403444542 1162884539 /nfs/dbraw/zinc/88/45/39/1162884539.db2.gz WOOHJCGYBRDCHH-HAQNSBGRSA-N 0 3 301.228 2.180 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1cccnc1 ZINC001374191386 1157705753 /nfs/dbraw/zinc/70/57/53/1157705753.db2.gz RMYMJYCWKAKYGI-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C)n[nH]1 ZINC001374399191 1157839170 /nfs/dbraw/zinc/83/91/70/1157839170.db2.gz UGZVJMRLYCANII-HZMBPMFUSA-N 0 3 310.829 2.301 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C)[nH]n1 ZINC001374399191 1157839175 /nfs/dbraw/zinc/83/91/75/1157839175.db2.gz UGZVJMRLYCANII-HZMBPMFUSA-N 0 3 310.829 2.301 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)C(C)(C)F)C(C)C ZINC001374407607 1157843328 /nfs/dbraw/zinc/84/33/28/1157843328.db2.gz WCANUTCPTWYORN-SNVBAGLBSA-N 0 3 309.223 2.374 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001374472724 1157868060 /nfs/dbraw/zinc/86/80/60/1157868060.db2.gz UTVXACZLSSSADM-WBMJQRKESA-N 0 3 303.381 2.363 20 30 DEEDHN Cc1cccc(CN(C)CCN(C)C(=O)c2cc(C#N)c[nH]2)c1 ZINC001374478129 1157869924 /nfs/dbraw/zinc/86/99/24/1157869924.db2.gz CLJOYLRPTTZLHC-UHFFFAOYSA-N 0 3 310.401 2.399 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H](C)Oc1cccnc1 ZINC001393818647 1158007879 /nfs/dbraw/zinc/00/78/79/1158007879.db2.gz ZYIRAMALOBMKQP-STQMWFEESA-N 0 3 311.813 2.086 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CC2(CO1)CCN(C(=O)CC)CC2 ZINC001394361685 1158427855 /nfs/dbraw/zinc/42/78/55/1158427855.db2.gz RFMGVLXJIQJTKH-ZDUSSCGKSA-N 0 3 300.830 2.136 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](CNC(=O)CC3CC3)C2)c1 ZINC001375473025 1158732087 /nfs/dbraw/zinc/73/20/87/1158732087.db2.gz HSAMBGLUOWAOBT-FZNQNYSPSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1cncc(CN2CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC2)c1 ZINC001394842033 1158810036 /nfs/dbraw/zinc/81/00/36/1158810036.db2.gz KQNANVWDVXVEJI-HUUCEWRRSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1OCC ZINC001375591046 1158822121 /nfs/dbraw/zinc/82/21/21/1158822121.db2.gz VGSUWTCJQSPRBT-ZIAGYGMSSA-N 0 3 314.857 2.382 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cnccn1 ZINC001376009206 1159047701 /nfs/dbraw/zinc/04/77/01/1159047701.db2.gz DJRGRIQAUAAVDN-GXTWGEPZSA-N 0 3 308.813 2.202 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)n[nH]1 ZINC001376018677 1159053404 /nfs/dbraw/zinc/05/34/04/1159053404.db2.gz LTXVRLKIKIBLTM-JSGCOSHPSA-N 0 3 310.829 2.443 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C)[nH]n1 ZINC001376018677 1159053412 /nfs/dbraw/zinc/05/34/12/1159053412.db2.gz LTXVRLKIKIBLTM-JSGCOSHPSA-N 0 3 310.829 2.443 20 30 DEEDHN C[C@@H](CNC(=O)Cc1ccoc1)NCc1ccc(C#N)s1 ZINC001376720350 1159722224 /nfs/dbraw/zinc/72/22/24/1159722224.db2.gz ZHXWZESDHYTTOU-NSHDSACASA-N 0 3 303.387 2.050 20 30 DEEDHN COCCC1(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001376735478 1159742604 /nfs/dbraw/zinc/74/26/04/1159742604.db2.gz BSAZNFYIJQZCMV-LBPRGKRZSA-N 0 3 321.446 2.031 20 30 DEEDHN Cc1c(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)ccn1C ZINC001376801283 1159804695 /nfs/dbraw/zinc/80/46/95/1159804695.db2.gz CSOOXPLBZSGNTJ-NSHDSACASA-N 0 3 316.430 2.175 20 30 DEEDHN C[C@H](CCNC(=O)CCCF)NCc1cc(C#N)ccc1F ZINC001377059983 1159888261 /nfs/dbraw/zinc/88/82/61/1159888261.db2.gz QTIKVNZQLITQIS-GFCCVEGCSA-N 0 3 309.360 2.431 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC001377321487 1160213210 /nfs/dbraw/zinc/21/32/10/1160213210.db2.gz PDKZDJNBUPHHTR-PBHICJAKSA-N 0 3 324.428 2.435 20 30 DEEDHN Cc1ccc(F)c(CN[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001398376456 1160869634 /nfs/dbraw/zinc/86/96/34/1160869634.db2.gz NXZDEYAYZGDYMT-BLLLJJGKSA-N 0 3 303.381 2.278 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001398544937 1160964485 /nfs/dbraw/zinc/96/44/85/1160964485.db2.gz TUVZOZBRSRVUFA-QEJZJMRPSA-N 0 3 300.406 2.101 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2CCCCO2)C1 ZINC001398616066 1161019452 /nfs/dbraw/zinc/01/94/52/1161019452.db2.gz ADQNFORGYSWCES-MJBXVCDLSA-N 0 3 300.830 2.325 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001399333139 1161352770 /nfs/dbraw/zinc/35/27/70/1161352770.db2.gz FARWHXKXYNSAGK-MRVPVSSYSA-N 0 3 305.209 2.222 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(NC(C)=O)cc1 ZINC001399417276 1161384212 /nfs/dbraw/zinc/38/42/12/1161384212.db2.gz HLYWMQUKSRAONU-LBPRGKRZSA-N 0 3 323.824 2.496 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1cccc2cccnc21 ZINC001399817356 1161574446 /nfs/dbraw/zinc/57/44/46/1161574446.db2.gz BASZUEFVHCEVEW-YOEHRIQHSA-N 0 3 322.412 2.475 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](OC)C1CC1)C1CC1 ZINC001400981230 1161855082 /nfs/dbraw/zinc/85/50/82/1161855082.db2.gz WBWBBJOBDWKTJE-DZGCQCFKSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnn(C(F)F)c1)C(C)C ZINC001401341450 1161938434 /nfs/dbraw/zinc/93/84/34/1161938434.db2.gz CXFXZJIOJYDXKM-LLVKDONJSA-N 0 3 320.771 2.375 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001401918614 1162181369 /nfs/dbraw/zinc/18/13/69/1162181369.db2.gz KJRHDWOCRNWFRT-FZMZJTMJSA-N 0 3 301.365 2.092 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001404041458 1163395577 /nfs/dbraw/zinc/39/55/77/1163395577.db2.gz OYRFKQJSVBHJNS-OCCSQVGLSA-N 0 3 305.809 2.438 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@@H](C)C2)CCOCC1 ZINC001408047015 1165447005 /nfs/dbraw/zinc/44/70/05/1165447005.db2.gz QCIDKTZJRZMNMY-OCCSQVGLSA-N 0 3 314.857 2.430 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCc3ccccc3[C@@H]2CO)c1 ZINC001413960343 1165699072 /nfs/dbraw/zinc/69/90/72/1165699072.db2.gz ZIRWGCLLYZBTAN-OALUTQOASA-N 0 3 308.381 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001417784113 1167211241 /nfs/dbraw/zinc/21/12/41/1167211241.db2.gz HFUBJYFARHPXNM-MGPQQGTHSA-N 0 3 300.830 2.040 20 30 DEEDHN Cc1ncc(CN2CCC3(C[C@H]3NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001417957131 1167327395 /nfs/dbraw/zinc/32/73/95/1167327395.db2.gz SBXRGQJNZRCINB-SMDDNHRTSA-N 0 3 318.446 2.082 20 30 DEEDHN CC[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1 ZINC001418085699 1167402577 /nfs/dbraw/zinc/40/25/77/1167402577.db2.gz LUJBXQFPDRJVHR-VBNZEHGJSA-N 0 3 315.417 2.350 20 30 DEEDHN CCc1noc(C)c1CN1CCC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001418121039 1167422421 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CN1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)C(C)(C)C1 ZINC001420020692 1169070941 /nfs/dbraw/zinc/07/09/41/1169070941.db2.gz YOGZCTUPHWULEP-INIZCTEOSA-N 0 3 310.401 2.235 20 30 DEEDHN CC(C)[C@H](F)C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420332261 1169368609 /nfs/dbraw/zinc/36/86/09/1169368609.db2.gz VWCKMMVHERAUMX-ABAIWWIYSA-N 0 3 309.360 2.286 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)Cc1ccc2ncccc2c1 ZINC001420371109 1169420060 /nfs/dbraw/zinc/42/00/60/1169420060.db2.gz SSFPAJXNVQMBEW-CQSZACIVSA-N 0 3 310.401 2.333 20 30 DEEDHN CCN(CCNC(=O)c1cc(F)c[nH]1)Cc1cccc(C#N)c1 ZINC001420406642 1169490458 /nfs/dbraw/zinc/49/04/58/1169490458.db2.gz KQNQJPPIFZZXJH-UHFFFAOYSA-N 0 3 314.364 2.277 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC12CCC2 ZINC001420484079 1169639091 /nfs/dbraw/zinc/63/90/91/1169639091.db2.gz VHMMMKMVKNIAOQ-WFASDCNBSA-N 0 3 315.392 2.482 20 30 DEEDHN COCCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001420496628 1169663734 /nfs/dbraw/zinc/66/37/34/1169663734.db2.gz 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Cc1nc(C)c(CNC2(CNC(=O)[C@H](C)C#N)CCC2)s1 ZINC001440312294 1181442112 /nfs/dbraw/zinc/44/21/12/1181442112.db2.gz XUJLBUOKDVLFQA-SNVBAGLBSA-N 0 3 306.435 2.048 20 30 DEEDHN CCOCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001440382206 1181471676 /nfs/dbraw/zinc/47/16/76/1181471676.db2.gz UJCKTGAIRGUELF-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN COCCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440733948 1181662652 /nfs/dbraw/zinc/66/26/52/1181662652.db2.gz WNWIFVXVEBGWTP-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001441140563 1181866128 /nfs/dbraw/zinc/86/61/28/1181866128.db2.gz PJGKOZPSTQOZKX-BBRMVZONSA-N 0 3 315.392 2.456 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001441449371 1181999697 /nfs/dbraw/zinc/99/96/97/1181999697.db2.gz RAVFNMIQAXWDHU-NSHDSACASA-N 0 3 315.826 2.041 20 30 DEEDHN C[C@@H](N[C@@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1)c1cc(F)ccc1F ZINC001441456527 1182003888 /nfs/dbraw/zinc/00/38/88/1182003888.db2.gz LPNRZNPHBDUNSW-JULQROHOSA-N 0 3 307.344 2.422 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001441568970 1182063862 /nfs/dbraw/zinc/06/38/62/1182063862.db2.gz RUDCVYRTIKWKPX-UKRRQHHQSA-N 0 3 303.381 2.314 20 30 DEEDHN Cc1cc(C)cc(CN(C)CCNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001442370526 1182440118 /nfs/dbraw/zinc/44/01/18/1182440118.db2.gz DDXYDRVZXOWXKU-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)CCCF)C2)cc1 ZINC001442873165 1182759551 /nfs/dbraw/zinc/75/95/51/1182759551.db2.gz BTMCEQKLDZAFDE-INIZCTEOSA-N 0 3 303.381 2.246 20 30 DEEDHN CN(C/C=C/Cl)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001443346663 1182944769 /nfs/dbraw/zinc/94/47/69/1182944769.db2.gz STESHGHOLXGIIW-FARCUNLSSA-N 0 3 320.824 2.423 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001444108563 1183289123 /nfs/dbraw/zinc/28/91/23/1183289123.db2.gz KWGMPCSGJPFGKU-DZGCQCFKSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)CCn1ccnc1 ZINC001444818659 1183569214 /nfs/dbraw/zinc/56/92/14/1183569214.db2.gz CCTZGLSDKUOUSI-ZFWWWQNUSA-N 0 3 324.856 2.242 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C1CC(OCC)C1)C(C)C ZINC001444855482 1183596849 /nfs/dbraw/zinc/59/68/49/1183596849.db2.gz KMYMHRALZPODFY-RUXDESIVSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C(C)C ZINC001444924620 1183650753 /nfs/dbraw/zinc/65/07/53/1183650753.db2.gz CWLMHRFLQWZJCA-JSGCOSHPSA-N 0 3 312.845 2.007 20 30 DEEDHN Cc1ccc(F)c(CNC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)c1 ZINC001445369512 1183851634 /nfs/dbraw/zinc/85/16/34/1183851634.db2.gz XMVQGKFSNVTHPJ-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001445428832 1183869811 /nfs/dbraw/zinc/86/98/11/1183869811.db2.gz JRZZFJDHUJBRAQ-NDBYEHHHSA-N 0 3 303.431 2.260 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccsn1 ZINC001445756170 1184032734 /nfs/dbraw/zinc/03/27/34/1184032734.db2.gz SZTUUKVVGRRQNO-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN CCCC(=O)NCC1(NCc2ccc(OCC#N)cc2)CC1 ZINC001446118232 1184233234 /nfs/dbraw/zinc/23/32/34/1184233234.db2.gz PMPKUAVWNZMNGP-UHFFFAOYSA-N 0 3 301.390 2.127 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3cccnc3)CC2)c1 ZINC001446124912 1184236964 /nfs/dbraw/zinc/23/69/64/1184236964.db2.gz ODZPJCCLUINNRG-UHFFFAOYSA-N 0 3 306.369 2.005 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(COC)CCCC2)C1 ZINC001447799999 1184877994 /nfs/dbraw/zinc/87/79/94/1184877994.db2.gz WGAJMQPDJCVHAU-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN COCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448062649 1185052592 /nfs/dbraw/zinc/05/25/92/1185052592.db2.gz CTEOKVQSPCHDBR-AWEZNQCLSA-N 0 3 317.433 2.167 20 30 DEEDHN N#Cc1cc(CNC(=O)c2ccc(NC3=NCCC3)cc2)ccn1 ZINC001448883173 1185446455 /nfs/dbraw/zinc/44/64/55/1185446455.db2.gz YGGFECYTTJINPM-UHFFFAOYSA-N 0 3 319.368 2.487 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001449264786 1185599283 /nfs/dbraw/zinc/59/92/83/1185599283.db2.gz DMVYXLVBHCVJCV-AWEZNQCLSA-N 0 3 315.889 2.250 20 30 DEEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C2(C#N)CCOCC2)cn1 ZINC001164643586 719230412 /nfs/dbraw/zinc/23/04/12/719230412.db2.gz ZJIYCOAJVUPTEO-LSDHHAIUSA-N 0 3 314.433 2.182 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)c(C)c2)C1 ZINC001332029302 1149810279 /nfs/dbraw/zinc/81/02/79/1149810279.db2.gz FHCNKFXJZJFNNA-GOEBONIOSA-N 0 3 300.402 2.220 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)CSC)C1 ZINC001370624348 1149822913 /nfs/dbraw/zinc/82/29/13/1149822913.db2.gz GHUAZOBJKSBFAB-INTQDDNPSA-N 0 3 321.284 2.131 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(OC)c(F)c3)C2)C1 ZINC001072828697 790263864 /nfs/dbraw/zinc/26/38/64/790263864.db2.gz NPAJVLLNLJIVNH-UHFFFAOYSA-N 0 3 316.376 2.006 20 30 DEEDHN C=CCCOCC(=O)NCCC1(CNCc2ccccn2)CC1 ZINC001168435637 782268000 /nfs/dbraw/zinc/26/80/00/782268000.db2.gz XMMVAQBJOFUCAL-UHFFFAOYSA-N 0 3 317.433 2.050 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001077508119 782272557 /nfs/dbraw/zinc/27/25/57/782272557.db2.gz MDXGVJHFJBLVAQ-HZPDHXFCSA-N 0 3 322.836 2.308 20 30 DEEDHN C#CC[C@@H](CC)c1nnc(N2CCN([C@@H](C)CC)CC2)n1C ZINC001121329135 782302011 /nfs/dbraw/zinc/30/20/11/782302011.db2.gz ZVRFCCWEPHDJST-LSDHHAIUSA-N 0 3 303.454 2.253 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccccc2C)[C@H]1C ZINC001332215838 1149836430 /nfs/dbraw/zinc/83/64/30/1149836430.db2.gz BJWPUOLRUFGKIW-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2nccn2C)C1 ZINC001332294369 1149845677 /nfs/dbraw/zinc/84/56/77/1149845677.db2.gz UMXXRANIHPZONE-HUUCEWRRSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OC)cc3F)C2)C1 ZINC001072900987 790295363 /nfs/dbraw/zinc/29/53/63/790295363.db2.gz RULKDXVODATLRP-UHFFFAOYSA-N 0 3 304.365 2.168 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNCc2ccccc2F)C1 ZINC001332565759 1149869680 /nfs/dbraw/zinc/86/96/80/1149869680.db2.gz HTPOAEKIWBGRGD-HNNXBMFYSA-N 0 3 320.408 2.091 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(C2CC2)on1)C(C)C ZINC001332720930 1149884178 /nfs/dbraw/zinc/88/41/78/1149884178.db2.gz YPIUILKRIPAUIV-UHFFFAOYSA-N 0 3 303.406 2.358 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC001099217519 782646701 /nfs/dbraw/zinc/64/67/01/782646701.db2.gz OLEIHMTXSGNWEM-YNEHKIRRSA-N 0 3 320.355 2.111 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C)nn2)CC(C)(C)C1 ZINC001089383650 783061339 /nfs/dbraw/zinc/06/13/39/783061339.db2.gz HKOXYPKRNRWYCT-HNNXBMFYSA-N 0 3 314.433 2.029 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(CC)ccn2)CC(C)(C)C1 ZINC001089397984 783067768 /nfs/dbraw/zinc/06/77/68/783067768.db2.gz UVVGZRDOVSOPTM-INIZCTEOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ncccc2CC)CC(C)(C)C1 ZINC001089428412 783097459 /nfs/dbraw/zinc/09/74/59/783097459.db2.gz XHSJMRBWLKQRLO-INIZCTEOSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cncc3[nH]ccc32)CC(C)(C)C1 ZINC001089430662 783099333 /nfs/dbraw/zinc/09/93/33/783099333.db2.gz QZXYLSSUZXGSEO-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(C)nc1C)C2 ZINC001095788155 783099640 /nfs/dbraw/zinc/09/96/40/783099640.db2.gz IDKFFEAMGZEVGU-IKGGRYGDSA-N 0 3 311.429 2.365 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C[C@H]1C ZINC000947379026 783121598 /nfs/dbraw/zinc/12/15/98/783121598.db2.gz QTCVIQFVBGXVAA-ZBFHGGJFSA-N 0 3 322.412 2.293 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccnc3ccncc32)C[C@@H]1C ZINC000947576283 783180077 /nfs/dbraw/zinc/18/00/77/783180077.db2.gz KAZLTSPPWZXBGC-GJZGRUSLSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC000947597559 783183890 /nfs/dbraw/zinc/18/38/90/783183890.db2.gz IDIMEAHXXDXLTM-UKRRQHHQSA-N 0 3 323.396 2.156 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@]2(C)CCCOC2)CC(C)(C)C1 ZINC001089529743 783186768 /nfs/dbraw/zinc/18/67/68/783186768.db2.gz WPINVLPUNYHUCK-MAUKXSAKSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cnoc2C2CC2)CC(C)(C)C1 ZINC001089534163 783191774 /nfs/dbraw/zinc/19/17/74/783191774.db2.gz PXFZKMMZSAMYQF-CQSZACIVSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2csc(C)n2)CC(C)(C)C1 ZINC001089556999 783204444 /nfs/dbraw/zinc/20/44/44/783204444.db2.gz XEKOQWJSXYKJIC-CQSZACIVSA-N 0 3 319.474 2.234 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCOCC2)CC(C)(C)C1 ZINC001089569839 783219174 /nfs/dbraw/zinc/21/91/74/783219174.db2.gz JCCLSZFMURNSDR-DOTOQJQBSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C[C@H]1C ZINC000947767852 783228175 /nfs/dbraw/zinc/22/81/75/783228175.db2.gz SHOWQEGSJAPPAC-PBHICJAKSA-N 0 3 314.404 2.460 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2CCN(CC=C(C)C)C[C@@H]2O)CC1 ZINC001090548223 790346659 /nfs/dbraw/zinc/34/66/59/790346659.db2.gz VQTVFACIEQDHTQ-IRXDYDNUSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C[C@@H]2O)C1 ZINC001090553799 790352709 /nfs/dbraw/zinc/35/27/09/790352709.db2.gz ROJMFZHRUVTHIR-SJORKVTESA-N 0 3 318.461 2.395 20 30 DEEDHN N#Cc1cccnc1NCCNCc1cnn(CC2CCC2)c1 ZINC001333495919 1150056232 /nfs/dbraw/zinc/05/62/32/1150056232.db2.gz GEGVUURPHABLIB-UHFFFAOYSA-N 0 3 310.405 2.152 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cccc2C)[C@@H](O)C1 ZINC001090581701 790366898 /nfs/dbraw/zinc/36/68/98/790366898.db2.gz QYRYYLOKHMIKHD-CVEARBPZSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(Cl)CN1CCC2(CN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC001072999638 790367616 /nfs/dbraw/zinc/36/76/16/790367616.db2.gz JGUONISUGWERSP-UHFFFAOYSA-N 0 3 322.840 2.434 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3sc(CC)nc3C)C2)C1 ZINC001073054585 790420238 /nfs/dbraw/zinc/42/02/38/790420238.db2.gz AAPGXNOKPYGIDZ-UHFFFAOYSA-N 0 3 305.447 2.348 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)[C@@H]2CC23CCC3)c1 ZINC001167384308 776977560 /nfs/dbraw/zinc/97/75/60/776977560.db2.gz BEBBFTFAPFRHFQ-HNNXBMFYSA-N 0 3 315.392 2.483 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3ccccc32)[C@H](O)C1 ZINC001090779392 790526392 /nfs/dbraw/zinc/52/63/92/790526392.db2.gz DOFOJOHKGMBEFL-RBUKOAKNSA-N 0 3 322.408 2.028 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)CCCF)C1 ZINC001100579345 777328210 /nfs/dbraw/zinc/32/82/10/777328210.db2.gz PZBPYKQKLBGERW-UHFFFAOYSA-N 0 3 307.207 2.129 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)CCOCC)C[C@H]1c1ccccc1 ZINC001211557116 777393252 /nfs/dbraw/zinc/39/32/52/777393252.db2.gz CMFLPDRSLXJSIH-ZWKOTPCHSA-N 0 3 314.429 2.021 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1[nH]nc(C(F)(F)F)c1C ZINC001167620336 777397541 /nfs/dbraw/zinc/39/75/41/777397541.db2.gz RMQFXZCPJYPYKN-UHFFFAOYSA-N 0 3 324.734 2.199 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2ccn(C)n2)C1 ZINC001104491857 777540088 /nfs/dbraw/zinc/54/00/88/777540088.db2.gz FOQHOXSPIAEQKU-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cc[nH]c1C)C[C@H](C)O2 ZINC001098583862 777649688 /nfs/dbraw/zinc/64/96/88/777649688.db2.gz YYVYENLBXLXWHJ-AWEZNQCLSA-N 0 3 317.433 2.205 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(F)cn3)C(C)(C)[C@@H]21 ZINC001087281523 777711449 /nfs/dbraw/zinc/71/14/49/777711449.db2.gz IJIJACBLLGRSIM-FVQBIDKESA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3cncc(F)c3)C(C)(C)[C@H]21 ZINC001087281785 777712762 /nfs/dbraw/zinc/71/27/62/777712762.db2.gz MITPQDPMWJRBTR-PMPSAXMXSA-N 0 3 315.392 2.073 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccn(C)c3C)C(C)(C)[C@H]21 ZINC001087302785 777754025 /nfs/dbraw/zinc/75/40/25/777754025.db2.gz ACGCALSKEVBRBV-ZACQAIPSSA-N 0 3 313.445 2.186 20 30 DEEDHN CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1CC#Cc1ccccc1 ZINC001087323080 777789438 /nfs/dbraw/zinc/78/94/38/777789438.db2.gz RJAHGBTWVUDYCO-YRPNKDGESA-N 0 3 308.425 2.227 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001090828556 790579647 /nfs/dbraw/zinc/57/96/47/790579647.db2.gz RDNGKKIXBZSIDX-ROUUACIJSA-N 0 3 314.429 2.305 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@H](O)C1 ZINC001090839867 790587304 /nfs/dbraw/zinc/58/73/04/790587304.db2.gz SJWRGBXAZDLEET-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=C[C@@H](C(=O)N1CCO[C@@H]2CN(C(C)C)C[C@@H]21)c1ccccc1 ZINC001083282406 778062960 /nfs/dbraw/zinc/06/29/60/778062960.db2.gz BGUFTXMXIMEQHM-FGTMMUONSA-N 0 3 314.429 2.276 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](O)C1 ZINC001090847753 790597979 /nfs/dbraw/zinc/59/79/79/790597979.db2.gz BCABKDJZGBVRNS-UONOGXRCSA-N 0 3 308.466 2.186 20 30 DEEDHN C=CCCCCCNCc1cn(C2CN(C(=O)CCC)C2)nn1 ZINC001105136969 778365392 /nfs/dbraw/zinc/36/53/92/778365392.db2.gz OYRRDIZYVSSYIN-UHFFFAOYSA-N 0 3 319.453 2.298 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)CCC=C)C2)nn1 ZINC001098632177 778639020 /nfs/dbraw/zinc/63/90/20/778639020.db2.gz AGWLFHRNBLMKNR-MRXNPFEDSA-N 0 3 317.437 2.074 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001075615896 778750079 /nfs/dbraw/zinc/75/00/79/778750079.db2.gz CILRWPQZARRYOF-ZOCIIQOWSA-N 0 3 323.440 2.368 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)CCCC#CC)C[C@H]1C(F)(F)F ZINC001112146920 779124458 /nfs/dbraw/zinc/12/44/58/779124458.db2.gz VRULBZIJPBYCHM-ZIAGYGMSSA-N 0 3 314.351 2.182 20 30 DEEDHN C=CCCC(=O)N1CCC(CN[C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001204754089 779249906 /nfs/dbraw/zinc/24/99/06/779249906.db2.gz VTJYKTLPURTWDP-ZDUSSCGKSA-N 0 3 319.453 2.223 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)n(C(C)C)n3)C2)C1 ZINC001073497282 790694480 /nfs/dbraw/zinc/69/44/80/790694480.db2.gz IAIBSXWSGMSIQD-UHFFFAOYSA-N 0 3 302.422 2.106 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2CCC)[C@H]1CC ZINC001087587918 779367264 /nfs/dbraw/zinc/36/72/64/779367264.db2.gz QCSDBISYADGEOS-LSDHHAIUSA-N 0 3 304.438 2.452 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@H]1CC ZINC001087626517 779383986 /nfs/dbraw/zinc/38/39/86/779383986.db2.gz DOMYYGRBJSAGJM-JKSUJKDBSA-N 0 3 312.417 2.032 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)[C@H]1CC ZINC001087655402 779397511 /nfs/dbraw/zinc/39/75/11/779397511.db2.gz ZJZABMOVZHDXOV-DLBZAZTESA-N 0 3 312.417 2.261 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)[C@H]1CC ZINC001087655028 779397884 /nfs/dbraw/zinc/39/78/84/779397884.db2.gz FDEBBDATVHGFJA-OWCLPIDISA-N 0 3 306.450 2.184 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccc(C)cn32)[C@H]1CC ZINC001087656950 779398418 /nfs/dbraw/zinc/39/84/18/779398418.db2.gz IIPFPAUUACMINS-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2occ3c2CCC3)[C@H]1CC ZINC001087673622 779403663 /nfs/dbraw/zinc/40/36/63/779403663.db2.gz UFNWBHOUHFQJHH-JKSUJKDBSA-N 0 3 300.402 2.374 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CCC)c2C)[C@H]1CC ZINC001087773349 779447061 /nfs/dbraw/zinc/44/70/61/779447061.db2.gz JBYYCMWVNQIXSK-JKSUJKDBSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)[C@H]1CC ZINC001087787585 779450806 /nfs/dbraw/zinc/45/08/06/779450806.db2.gz FWLFYICDVHAPPS-DLBZAZTESA-N 0 3 316.449 2.452 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@H]1CC ZINC001087815948 779464703 /nfs/dbraw/zinc/46/47/03/779464703.db2.gz LXTBGMRUFBFVNX-DLBZAZTESA-N 0 3 302.393 2.361 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@H]3CN(C(=O)C4CC4)C[C@@H]3C2)c1 ZINC001087858953 779492415 /nfs/dbraw/zinc/49/24/15/779492415.db2.gz CCXPTFFHESZCRV-MSOLQXFVSA-N 0 3 309.413 2.249 20 30 DEEDHN Cc1ccncc1CN1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087962535 779574719 /nfs/dbraw/zinc/57/47/19/779574719.db2.gz VUBXOEUBQJLYCW-MJGOQNOKSA-N 0 3 323.440 2.084 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3)C[C@@H]2C1 ZINC001088208731 779776453 /nfs/dbraw/zinc/77/64/53/779776453.db2.gz OKTFFQIHYZTAHH-QRQLOZEOSA-N 0 3 310.441 2.279 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cnn(C)c2)C1 ZINC001088261006 779857917 /nfs/dbraw/zinc/85/79/17/779857917.db2.gz SWDLKOBXESNOGS-CQSZACIVSA-N 0 3 310.829 2.147 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2ccnn2C)C1 ZINC001088303667 779926682 /nfs/dbraw/zinc/92/66/82/779926682.db2.gz FPAZGBZJWYTGQB-AWEZNQCLSA-N 0 3 324.856 2.076 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2nn(C)cc2C)C1 ZINC001088314307 779937451 /nfs/dbraw/zinc/93/74/51/779937451.db2.gz VBCSTHYJNUKUDP-AWEZNQCLSA-N 0 3 324.856 2.455 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001059688477 780197907 /nfs/dbraw/zinc/19/79/07/780197907.db2.gz BPWQZNRQPYKGOX-INIZCTEOSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211949585 780523839 /nfs/dbraw/zinc/52/38/39/780523839.db2.gz MYSWPYHPKLJENC-RBSFLKMASA-N 0 3 314.495 2.300 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001091032166 790832875 /nfs/dbraw/zinc/83/28/75/790832875.db2.gz VJJJLJPKNAKZSF-UBHUBRDASA-N 0 3 322.840 2.067 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(-c3ccccc3)c2)[C@H]1C ZINC001088719176 780910609 /nfs/dbraw/zinc/91/06/09/780910609.db2.gz YFGFTHACLGVVBY-QAPCUYQASA-N 0 3 322.412 2.088 20 30 DEEDHN COc1c(F)cc(CNCCNC(=O)C#CC(C)(C)C)cc1F ZINC001126915690 781075222 /nfs/dbraw/zinc/07/52/22/781075222.db2.gz HBIVYXRNTLAFIF-UHFFFAOYSA-N 0 3 324.371 2.229 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001076010492 781076138 /nfs/dbraw/zinc/07/61/38/781076138.db2.gz 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ZINC001076434913 781265945 /nfs/dbraw/zinc/26/59/45/781265945.db2.gz SIEQBTGXHXNHEZ-FUHWJXTLSA-N 0 3 311.429 2.011 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc(COC)c3)[C@@H]2C1 ZINC001076449647 781269877 /nfs/dbraw/zinc/26/98/77/781269877.db2.gz QLRLGMAMIUXEIH-ZWKOTPCHSA-N 0 3 314.429 2.094 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc4[nH]ccc4s3)[C@@H]2C1 ZINC001076500496 781287809 /nfs/dbraw/zinc/28/78/09/781287809.db2.gz AYHNEPQSNKXPPS-GXTWGEPZSA-N 0 3 313.426 2.399 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3ccc(OC)cc3)[C@@H]2C1 ZINC001076540593 781304405 /nfs/dbraw/zinc/30/44/05/781304405.db2.gz VARXLKNBSMJIIC-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COc3ccccc3F)[C@@H]2C1 ZINC001076565043 781311634 /nfs/dbraw/zinc/31/16/34/781311634.db2.gz XSVQZAOPFIPOQH-GOEBONIOSA-N 0 3 318.392 2.313 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccn3nccc23)C1 ZINC001091120136 790916509 /nfs/dbraw/zinc/91/65/09/790916509.db2.gz KOOLMJLIBQYNNW-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(-n2cccn2)c1 ZINC001168409083 781901681 /nfs/dbraw/zinc/90/16/81/781901681.db2.gz YHUIQAOMKCFLSE-UHFFFAOYSA-N 0 3 318.808 2.334 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001073866845 790924598 /nfs/dbraw/zinc/92/45/98/790924598.db2.gz GUUMMIVBQNZDNB-QGZVFWFLSA-N 0 3 318.417 2.092 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(CC(C)C)c2)C[C@H]1C ZINC000947861144 783250234 /nfs/dbraw/zinc/25/02/34/783250234.db2.gz GGQIFASCMPQRNB-GDBMZVCRSA-N 0 3 304.438 2.308 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)C[C@@H]1C ZINC000947899474 783263647 /nfs/dbraw/zinc/26/36/47/783263647.db2.gz JWZRONFYFUBPKU-KBPBESRZSA-N 0 3 303.406 2.404 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnn1C ZINC001089613629 783274922 /nfs/dbraw/zinc/27/49/22/783274922.db2.gz ZNSREVOUIPDNLZ-CQSZACIVSA-N 0 3 304.438 2.217 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cscn1 ZINC001089616458 783279584 /nfs/dbraw/zinc/27/95/84/783279584.db2.gz HNRIZIGZVGHFOS-CYBMUJFWSA-N 0 3 305.447 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C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000966725176 783741572 /nfs/dbraw/zinc/74/15/72/783741572.db2.gz SJCIRKWUIREXLB-LRDDRELGSA-N 0 3 306.356 2.428 20 30 DEEDHN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000966812224 783766454 /nfs/dbraw/zinc/76/64/54/783766454.db2.gz KSRRXOAXTZXJRQ-DGCLKSJQSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC000966874269 783787881 /nfs/dbraw/zinc/78/78/81/783787881.db2.gz FKDQLWAHEQCTNY-NVXWUHKLSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC000967029206 783861158 /nfs/dbraw/zinc/86/11/58/783861158.db2.gz GCCGQPOAJXOCIH-RHSMWYFYSA-N 0 3 316.449 2.163 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001066281368 783861164 /nfs/dbraw/zinc/86/11/64/783861164.db2.gz WJEIHDOZZVWAQO-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001066281586 783861301 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C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000967265881 783917505 /nfs/dbraw/zinc/91/75/05/783917505.db2.gz XXFGUOJAIGHWGF-KBXCAEBGSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC000967273255 783921900 /nfs/dbraw/zinc/92/19/00/783921900.db2.gz KHJPODIQUOPCIC-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc3nccn32)C1 ZINC000967358589 783963795 /nfs/dbraw/zinc/96/37/95/783963795.db2.gz SMHUNSHKZLJJEY-HUUCEWRRSA-N 0 3 312.417 2.351 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC000967401726 783980846 /nfs/dbraw/zinc/98/08/46/783980846.db2.gz GMKNRTKPBCOMGF-STQMWFEESA-N 0 3 307.394 2.090 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCOCC2)C1 ZINC000967423896 783994679 /nfs/dbraw/zinc/99/46/79/783994679.db2.gz LOKWOKBCJPQRCN-NVXWUHKLSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc(Cl)n1C ZINC001085722693 784018273 /nfs/dbraw/zinc/01/82/73/784018273.db2.gz 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C=C(Br)CN[C@H]1C[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001086027977 784342299 /nfs/dbraw/zinc/34/22/99/784342299.db2.gz RLVCYCVHLAHRFM-PHIMTYICSA-N 0 3 312.211 2.021 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000968382726 784345002 /nfs/dbraw/zinc/34/50/02/784345002.db2.gz UAWWTHZYKSPPGR-QAPCUYQASA-N 0 3 309.413 2.403 20 30 DEEDHN CC[C@H](SC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000968415621 784372203 /nfs/dbraw/zinc/37/22/03/784372203.db2.gz AEGWVECYZDBHLU-RISCZKNCSA-N 0 3 323.487 2.452 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001086080664 784392366 /nfs/dbraw/zinc/39/23/66/784392366.db2.gz OLMPRZXKCVXIOS-KXUCPTDWSA-N 0 3 323.181 2.035 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458876 784397930 /nfs/dbraw/zinc/39/79/30/784397930.db2.gz FWJDHVGSGKQJOA-XJKSGUPXSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001086095262 784403235 /nfs/dbraw/zinc/40/32/35/784403235.db2.gz VVNQZVBETSFONO-OKILXGFUSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC000968480467 784410757 /nfs/dbraw/zinc/41/07/57/784410757.db2.gz MGRQGKIRXYUPDA-XJKSGUPXSA-N 0 3 317.433 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)nnc2CC)C1 ZINC001086125325 784424347 /nfs/dbraw/zinc/42/43/47/784424347.db2.gz VIIXLCAYIFRJIL-BETUJISGSA-N 0 3 322.840 2.198 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC000968529202 784447758 /nfs/dbraw/zinc/44/77/58/784447758.db2.gz MZTMQVDIASKUJB-ZFWWWQNUSA-N 0 3 316.449 2.171 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC000968529200 784447964 /nfs/dbraw/zinc/44/79/64/784447964.db2.gz MZTMQVDIASKUJB-HIFRSBDPSA-N 0 3 316.449 2.171 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001086182662 784469994 /nfs/dbraw/zinc/46/99/94/784469994.db2.gz GDZZNQLRWAGPMN-MWYNGPNVSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968680865 784536958 /nfs/dbraw/zinc/53/69/58/784536958.db2.gz DTEZFRSZXOZJSK-CJNGLKHVSA-N 0 3 304.459 2.449 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001086284994 784544102 /nfs/dbraw/zinc/54/41/02/784544102.db2.gz OJUAYGVYDHVNAT-BJHJDKERSA-N 0 3 322.840 2.148 20 30 DEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1scnc1C ZINC000968758710 784575043 /nfs/dbraw/zinc/57/50/43/784575043.db2.gz QQJIDYIWGNTJQP-AWEZNQCLSA-N 0 3 305.447 2.449 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C2CC=CC2)C1 ZINC001086330420 784587760 /nfs/dbraw/zinc/58/77/60/784587760.db2.gz BJWOVEZJGOIYPZ-AULYBMBSSA-N 0 3 313.239 2.346 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC000968973291 784675859 /nfs/dbraw/zinc/67/58/59/784675859.db2.gz FPMLZSXKNQMTNR-OAHLLOKOSA-N 0 3 315.417 2.012 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC000969025731 784695809 /nfs/dbraw/zinc/69/58/09/784695809.db2.gz SXBGUALHTZETGB-WMZOPIPTSA-N 0 3 313.445 2.343 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC000969066686 784712944 /nfs/dbraw/zinc/71/29/44/784712944.db2.gz BCASJOFWWMSOFK-INIZCTEOSA-N 0 3 324.428 2.332 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC000969072707 784715016 /nfs/dbraw/zinc/71/50/16/784715016.db2.gz QCFCXVYSSMTSGZ-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001086490270 784780915 /nfs/dbraw/zinc/78/09/15/784780915.db2.gz LAPWGIZRFSEZFK-IJLUTSLNSA-N 0 3 313.239 2.180 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cn(CC)nc2C)C1 ZINC001091258291 791066247 /nfs/dbraw/zinc/06/62/47/791066247.db2.gz IKLZOBBGSVYYAK-UHFFFAOYSA-N 0 3 310.829 2.062 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC001091264195 791072245 /nfs/dbraw/zinc/07/22/45/791072245.db2.gz BHVQSLIZZYNDDN-UHFFFAOYSA-N 0 3 320.824 2.205 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001007819979 785016911 /nfs/dbraw/zinc/01/69/11/785016911.db2.gz YIWKIYDLGVDEPZ-MRXNPFEDSA-N 0 3 307.397 2.452 20 30 DEEDHN C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001169235793 785104796 /nfs/dbraw/zinc/10/47/96/785104796.db2.gz CSDFIDJBFSKYGN-HNNXBMFYSA-N 0 3 320.433 2.473 20 30 DEEDHN CCOC(=O)[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)CO1 ZINC001169391965 785174212 /nfs/dbraw/zinc/17/42/12/785174212.db2.gz MHCGCLYCOSMLFS-CVEARBPZSA-N 0 3 302.374 2.101 20 30 DEEDHN CO[C@@H](C)C(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001169500456 785217122 /nfs/dbraw/zinc/21/71/22/785217122.db2.gz PWXOYVXCVPRMTR-CABCVRRESA-N 0 3 317.433 2.358 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001008531153 785231381 /nfs/dbraw/zinc/23/13/81/785231381.db2.gz DPKIVDIQLBWMIU-CQSZACIVSA-N 0 3 307.825 2.434 20 30 DEEDHN COc1ccc(N2CCCc3ccc(CN)nc32)nc1CC#N ZINC001169589830 785250394 /nfs/dbraw/zinc/25/03/94/785250394.db2.gz ATUKEOQBCAUPGL-UHFFFAOYSA-N 0 3 309.373 2.094 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001008775992 785300624 /nfs/dbraw/zinc/30/06/24/785300624.db2.gz KSMIDFWBJRGLPI-AWEZNQCLSA-N 0 3 315.417 2.128 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001009071426 785376982 /nfs/dbraw/zinc/37/69/82/785376982.db2.gz FRPONJWNUNGZFD-CQSZACIVSA-N 0 3 310.401 2.089 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001109070571 785690738 /nfs/dbraw/zinc/69/07/38/785690738.db2.gz CMXQCWGGACJSRB-SQNIBIBYSA-N 0 3 314.429 2.419 20 30 DEEDHN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001109071401 785690785 /nfs/dbraw/zinc/69/07/85/785690785.db2.gz ZQDXNAZVGOUFTD-SQNIBIBYSA-N 0 3 314.429 2.419 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(F)(F)F)C2 ZINC001109118190 785708859 /nfs/dbraw/zinc/70/88/59/785708859.db2.gz BINLOUZRQLHKMX-AGIUHOORSA-N 0 3 320.355 2.253 20 30 DEEDHN CC[C@@H](SC)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156634695 785789741 /nfs/dbraw/zinc/78/97/41/785789741.db2.gz SHQUVZFHZZYWES-OAHLLOKOSA-N 0 3 323.437 2.435 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C ZINC001109352931 785815394 /nfs/dbraw/zinc/81/53/94/785815394.db2.gz BKYTXJDGMFMSJU-IKGGRYGDSA-N 0 3 316.449 2.040 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CCCC1)C2 ZINC001109415158 785865048 /nfs/dbraw/zinc/86/50/48/785865048.db2.gz GSYFOEFGVMCAIL-IKGGRYGDSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC1(C)C)C2 ZINC001109620956 785962112 /nfs/dbraw/zinc/96/21/12/785962112.db2.gz VOMRMIWFYVVEMV-WCVJEAGWSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001113139288 786415281 /nfs/dbraw/zinc/41/52/81/786415281.db2.gz KGXBXPNNAGUNQM-CVEARBPZSA-N 0 3 318.465 2.413 20 30 DEEDHN CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001086583721 786465364 /nfs/dbraw/zinc/46/53/64/786465364.db2.gz BQQHPIVCZVWBFB-DOTOQJQBSA-N 0 3 308.385 2.104 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CNC(=O)CCC(C)C)CC1 ZINC001113437628 786598944 /nfs/dbraw/zinc/59/89/44/786598944.db2.gz AMFRCIMQLATPNR-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001014606043 786656647 /nfs/dbraw/zinc/65/66/47/786656647.db2.gz FQNWCBZMMNLPBA-AWEZNQCLSA-N 0 3 307.463 2.190 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001014607292 786658702 /nfs/dbraw/zinc/65/87/02/786658702.db2.gz BEFSMJJXIVXFSP-CQSZACIVSA-N 0 3 302.422 2.378 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3ccccc3nc2C)C1 ZINC001014616295 786662710 /nfs/dbraw/zinc/66/27/10/786662710.db2.gz IURGIENECZITDT-MRXNPFEDSA-N 0 3 307.397 2.371 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001014749914 786735928 /nfs/dbraw/zinc/73/59/28/786735928.db2.gz QWTYAYQZHFBKGE-RDJZCZTQSA-N 0 3 314.429 2.492 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC001113634673 786735901 /nfs/dbraw/zinc/73/59/01/786735901.db2.gz PWFRTRHCBVERII-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC001015092514 786892152 /nfs/dbraw/zinc/89/21/52/786892152.db2.gz UDAKTVZRAVOQFM-OAHLLOKOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2coc(-c3ccccn3)n2)C1 ZINC001015100464 786894301 /nfs/dbraw/zinc/89/43/01/786894301.db2.gz KPNNZRCCJYXCOT-CYBMUJFWSA-N 0 3 312.373 2.117 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001015273498 786970591 /nfs/dbraw/zinc/97/05/91/786970591.db2.gz XNXHOAXESSOVOQ-HOCLYGCPSA-N 0 3 318.392 2.143 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001015372722 787019492 /nfs/dbraw/zinc/01/94/92/787019492.db2.gz LAOJWZZGKWUYTK-CQSZACIVSA-N 0 3 306.356 2.030 20 30 DEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001086612589 787051033 /nfs/dbraw/zinc/05/10/33/787051033.db2.gz YJEPZOSTJQSEIM-ZWKOTPCHSA-N 0 3 324.428 2.113 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001157796599 787117715 /nfs/dbraw/zinc/11/77/15/787117715.db2.gz LHGUBCCEXBKJCZ-MRXNPFEDSA-N 0 3 319.449 2.452 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001114253572 787185464 /nfs/dbraw/zinc/18/54/64/787185464.db2.gz QKRGUCYZNPZVPT-NHAGDIPZSA-N 0 3 314.351 2.179 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CSC(C)C)C1 ZINC001130348533 787354970 /nfs/dbraw/zinc/35/49/70/787354970.db2.gz PTDNVSLUOUHUDT-ZDUSSCGKSA-N 0 3 322.478 2.143 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001090485302 787405833 /nfs/dbraw/zinc/40/58/33/787405833.db2.gz GMDPGLOAWYUKQU-CVEARBPZSA-N 0 3 320.408 2.184 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(F)cccc1F)C2 ZINC001095940502 787413441 /nfs/dbraw/zinc/41/34/41/787413441.db2.gz WRXBJGUPELBABV-DQYPLSBCSA-N 0 3 318.367 2.252 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C1CC1)C2 ZINC001095996432 787441446 /nfs/dbraw/zinc/44/14/46/787441446.db2.gz WHJLBMUCQDNPJF-SNPRPXQTSA-N 0 3 301.390 2.463 20 30 DEEDHN COCC#CCNCCNC(=O)CCCc1ccc(Cl)cc1 ZINC001130753988 787469709 /nfs/dbraw/zinc/46/97/09/787469709.db2.gz HTVPAPVFJCKSJW-UHFFFAOYSA-N 0 3 322.836 2.018 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccnn1CC1CCC1 ZINC001158144532 787489025 /nfs/dbraw/zinc/48/90/25/787489025.db2.gz QPYUSUQTABWEIW-UHFFFAOYSA-N 0 3 310.829 2.145 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC ZINC001096307760 787606748 /nfs/dbraw/zinc/60/67/48/787606748.db2.gz ZITOKQMTNKDOGS-ILXRZTDVSA-N 0 3 315.417 2.392 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@@H](C)F)cn1 ZINC001096382298 787643693 /nfs/dbraw/zinc/64/36/93/787643693.db2.gz FKCVMJNPNXAISE-VZEFYGNVSA-N 0 3 315.392 2.146 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1OC)C2 ZINC001096386779 787645491 /nfs/dbraw/zinc/64/54/91/787645491.db2.gz ZUTCTMFZHABVIW-PVAVHDDUSA-N 0 3 312.413 2.362 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C/c2ccco2)CC[C@H]1C ZINC001131788698 787734351 /nfs/dbraw/zinc/73/43/51/787734351.db2.gz WWNXKMKCTUTGOL-GUFYHEMZSA-N 0 3 318.417 2.465 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2c(C)ccn2C)CC[C@H]1C ZINC001131985016 787861057 /nfs/dbraw/zinc/86/10/57/787861057.db2.gz SHHHCSPZDAHISJ-HZPDHXFCSA-N 0 3 319.449 2.119 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132028876 787903557 /nfs/dbraw/zinc/90/35/57/787903557.db2.gz CPPANZOAXJGGIO-WMZOPIPTSA-N 0 3 314.429 2.196 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132073807 787917193 /nfs/dbraw/zinc/91/71/93/787917193.db2.gz YFEDRULZYYUEMH-HZPDHXFCSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2cc(OC)no2)CC[C@@H]1C ZINC001132063914 787920844 /nfs/dbraw/zinc/92/08/44/787920844.db2.gz BEBUFNHKAPSIQH-KBPBESRZSA-N 0 3 321.421 2.161 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCc2ncc(C)o2)CC[C@H]1C ZINC001132087026 787928603 /nfs/dbraw/zinc/92/86/03/787928603.db2.gz LSHVAFREYOOJNC-HIFRSBDPSA-N 0 3 305.422 2.461 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(CCOCC)C2)cc1 ZINC001132214199 787968568 /nfs/dbraw/zinc/96/85/68/787968568.db2.gz CYNZBJVSJYVOJD-CRAIPNDOSA-N 0 3 314.429 2.287 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNC[C@H](O)c1ccccc1F ZINC001132308958 788021205 /nfs/dbraw/zinc/02/12/05/788021205.db2.gz YXRCBFMTBSQPJV-HNNXBMFYSA-N 0 3 308.397 2.167 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132316071 788024750 /nfs/dbraw/zinc/02/47/50/788024750.db2.gz YSPQNYUKVWUDKE-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)COc2cccnc2)CC[C@H]1C ZINC001132358475 788044041 /nfs/dbraw/zinc/04/40/41/788044041.db2.gz DKHLIMBXPOKSRL-CABCVRRESA-N 0 3 303.406 2.006 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001132487111 788093352 /nfs/dbraw/zinc/09/33/52/788093352.db2.gz RMTULICOLAJMGH-CVEARBPZSA-N 0 3 319.449 2.293 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001086684787 788095002 /nfs/dbraw/zinc/09/50/02/788095002.db2.gz GPPOTNXDQDDEGW-RRFJBIMHSA-N 0 3 314.857 2.430 20 30 DEEDHN COCCN1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132504969 788108155 /nfs/dbraw/zinc/10/81/55/788108155.db2.gz OIXZRQDTZHTCMQ-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2CC3(CCC3)C2)cc1F ZINC001132587879 788140039 /nfs/dbraw/zinc/14/00/39/788140039.db2.gz YPCOZFRKXIXVSL-UHFFFAOYSA-N 0 3 315.392 2.483 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1nnn(C(C)C)c1C ZINC001158679593 788151978 /nfs/dbraw/zinc/15/19/78/788151978.db2.gz DHHHCSBMXVWBLU-OAHLLOKOSA-N 0 3 319.453 2.280 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](C)[C@H](CNCc2cc(C)no2)C1 ZINC001132786135 788192069 /nfs/dbraw/zinc/19/20/69/788192069.db2.gz OTVHMOKMNSWBIF-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001097858188 788253172 /nfs/dbraw/zinc/25/31/72/788253172.db2.gz LWTITRMUOUNMLY-HPBDAGMYSA-N 0 3 311.429 2.094 20 30 DEEDHN Cc1ncc(CNCCCC[C@@H](C)NC(=O)C#CC(C)C)o1 ZINC001170646986 788266798 /nfs/dbraw/zinc/26/67/98/788266798.db2.gz AWVNSJAIFHEYPE-CQSZACIVSA-N 0 3 305.422 2.407 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C(C1CC1)C1CC1 ZINC001170652334 788281456 /nfs/dbraw/zinc/28/14/56/788281456.db2.gz JUGLLUHWOSUSCV-UHFFFAOYSA-N 0 3 315.255 2.427 20 30 DEEDHN C=CCCCC(=O)NCCN[C@@H]1CCc2ccccc2NC1=O ZINC001133142822 788293518 /nfs/dbraw/zinc/29/35/18/788293518.db2.gz JYDIPWQZTILYAZ-MRXNPFEDSA-N 0 3 315.417 2.002 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)ncc1Cl)C2 ZINC001097980623 788309340 /nfs/dbraw/zinc/30/93/40/788309340.db2.gz FYKIPCFSGFQZAE-BNOWGMLFSA-N 0 3 320.824 2.350 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCN[C@H](C)C(=O)N(CC)CC(=C)C ZINC001133383194 788393695 /nfs/dbraw/zinc/39/36/95/788393695.db2.gz KEACTUSVDNRKQB-CRAIPNDOSA-N 0 3 323.481 2.108 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCO1 ZINC001133382707 788394509 /nfs/dbraw/zinc/39/45/09/788394509.db2.gz WIVZVPMITVCLCZ-MRXNPFEDSA-N 0 3 320.820 2.070 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCNCC(=O)N1CCCC[C@H]1CC ZINC001133383086 788394798 /nfs/dbraw/zinc/39/47/98/788394798.db2.gz HAXHMPRMWFVMPS-CRAIPNDOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCC1(C(=O)NCCN[C@@H](C)C(=O)NC(CC)CC)CCC1 ZINC001133398731 788397448 /nfs/dbraw/zinc/39/74/48/788397448.db2.gz LGTSXMBYGIQSAJ-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN CCCC1(C(=O)NCCNCc2ccc(OC)c(C#N)c2)CC1 ZINC001133458305 788439586 /nfs/dbraw/zinc/43/95/86/788439586.db2.gz RXINJEMENXHSEV-UHFFFAOYSA-N 0 3 315.417 2.353 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCOc3ccccc31)C2 ZINC001098048518 788459699 /nfs/dbraw/zinc/45/96/99/788459699.db2.gz TWSSXQLETVCSBE-DDBAPUKQSA-N 0 3 324.424 2.298 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)[C@]23C[C@H]2CCCC3)ccc1F ZINC001133546541 788481254 /nfs/dbraw/zinc/48/12/54/788481254.db2.gz HDCLDJDRRJZZPZ-CRAIPNDOSA-N 0 3 315.392 2.483 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CC(F)(F)C(F)F)cc1 ZINC001133885917 788663571 /nfs/dbraw/zinc/66/35/71/788663571.db2.gz CKBYNFRJSXSCBJ-UHFFFAOYSA-N 0 3 317.286 2.055 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001134118867 788769488 /nfs/dbraw/zinc/76/94/88/788769488.db2.gz IMGULRQGOWKFSL-GOEBONIOSA-N 0 3 316.449 2.352 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cnns1 ZINC001134119517 788771515 /nfs/dbraw/zinc/77/15/15/788771515.db2.gz SDMCYAQYGINYRY-STQMWFEESA-N 0 3 308.451 2.105 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1snnc1C ZINC001134206168 788800197 /nfs/dbraw/zinc/80/01/97/788800197.db2.gz PSJMBBBFQNMAJA-VXGBXAGGSA-N 0 3 308.451 2.023 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001134206623 788801140 /nfs/dbraw/zinc/80/11/40/788801140.db2.gz XDUYCZCYQTYXKJ-HUUCEWRRSA-N 0 3 316.449 2.006 20 30 DEEDHN C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)C#CC1CC1 ZINC001134318527 788863986 /nfs/dbraw/zinc/86/39/86/788863986.db2.gz TUMOGYDKEUAIPP-LSDHHAIUSA-N 0 3 309.413 2.345 20 30 DEEDHN Cc1nnsc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001134328971 788875406 /nfs/dbraw/zinc/87/54/06/788875406.db2.gz HZRCVJIMDWWYQY-NEPJUHHUSA-N 0 3 322.478 2.269 20 30 DEEDHN CCOc1cccc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001134384920 788896824 /nfs/dbraw/zinc/89/68/24/788896824.db2.gz KMRSVAFMADJQRN-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C[C@H](CC(=O)NCCNCc1ccc(C#N)cc1)c1cccnc1 ZINC001134731149 789052880 /nfs/dbraw/zinc/05/28/80/789052880.db2.gz UHIRJNVKGAOEHF-OAHLLOKOSA-N 0 3 322.412 2.353 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC001170769587 789061929 /nfs/dbraw/zinc/06/19/29/789061929.db2.gz SHNMWGRIAWPORT-MRXNPFEDSA-N 0 3 314.385 2.102 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2occc2C)C1 ZINC001070395862 789307706 /nfs/dbraw/zinc/30/77/06/789307706.db2.gz ACTCGJJIEDJPSY-ZDUSSCGKSA-N 0 3 314.389 2.216 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001070824789 789465071 /nfs/dbraw/zinc/46/50/71/789465071.db2.gz IQYSEIBZQVGDSF-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001071064667 789509730 /nfs/dbraw/zinc/50/97/30/789509730.db2.gz IOYOFSJMSXHMSP-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC1CCC1)C[C@H](C)O2 ZINC001071151426 789561614 /nfs/dbraw/zinc/56/16/14/789561614.db2.gz HXJAZADPVPGOEY-QFBILLFUSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(C)C)C[C@H](C)O2 ZINC001071171334 789574620 /nfs/dbraw/zinc/57/46/20/789574620.db2.gz LOBJGAAQAZYLQJ-QFBILLFUSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(C)(F)F)C[C@H](C)O2 ZINC001071210255 789595195 /nfs/dbraw/zinc/59/51/95/789595195.db2.gz XJMJJLHRRCUTIL-XJKSGUPXSA-N 0 3 316.392 2.300 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H](O)C1 ZINC001090528080 789647771 /nfs/dbraw/zinc/64/77/71/789647771.db2.gz GVUIRAKYJYWKSX-ZWKOTPCHSA-N 0 3 316.445 2.380 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(c3ccccn3)CC2)CC[C@H]1C ZINC001071510245 789748788 /nfs/dbraw/zinc/74/87/88/789748788.db2.gz ANIMUIOXQHCULC-HZPDHXFCSA-N 0 3 311.429 2.106 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)CC[C@H]1C ZINC001071517949 789754800 /nfs/dbraw/zinc/75/48/00/789754800.db2.gz LTABYGGHVVGGFR-KGLIPLIRSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnc3cc(C)ccn32)CC[C@@H]1C ZINC001071533327 789764338 /nfs/dbraw/zinc/76/43/38/789764338.db2.gz FXHMXYWJJHBVEF-HOTGVXAUSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccnn2C(C)C)CC[C@@H]1C ZINC001071537484 789766117 /nfs/dbraw/zinc/76/61/17/789766117.db2.gz ZXQOIHKFAQKDGY-GJZGRUSLSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C(F)F)n2)CC[C@H]1C ZINC001071540892 789768425 /nfs/dbraw/zinc/76/84/25/789768425.db2.gz XQLODGKQYDFUMY-DGCLKSJQSA-N 0 3 324.375 2.193 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn(C(C)(C)C)n2)CC[C@H]1C ZINC001071548725 789773166 /nfs/dbraw/zinc/77/31/66/789773166.db2.gz KYSIGHRRVYSLER-HUUCEWRRSA-N 0 3 316.449 2.244 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(C)nc2CC)CC[C@H]1C ZINC001071594070 789801038 /nfs/dbraw/zinc/80/10/38/789801038.db2.gz MMLHGKFPJFNZPN-ZIAGYGMSSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@@H]1C ZINC001071610546 789814095 /nfs/dbraw/zinc/81/40/95/789814095.db2.gz UVXQZNPXFMOMIG-WFASDCNBSA-N 0 3 319.474 2.295 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)CC[C@@H]1C ZINC001071634493 789829298 /nfs/dbraw/zinc/82/92/98/789829298.db2.gz DGNSKNDFINVSAY-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccc3nccn32)CC[C@H]1C ZINC001071680977 789863224 /nfs/dbraw/zinc/86/32/24/789863224.db2.gz XSIDVLHPYKFRLS-HUUCEWRRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cn(C(C)C)cn2)CC[C@@H]1C ZINC001071704714 789876434 /nfs/dbraw/zinc/87/64/34/789876434.db2.gz DKHUGWGDSNMVKF-LSDHHAIUSA-N 0 3 302.422 2.070 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c[nH]c3cnccc23)CC[C@@H]1C ZINC001071766427 789909691 /nfs/dbraw/zinc/90/96/91/789909691.db2.gz VTDOWIPRJDTICU-DZGCQCFKSA-N 0 3 312.417 2.261 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)Cc2c(F)cccc2F)CC[C@H]1C ZINC001071772578 789912623 /nfs/dbraw/zinc/91/26/23/789912623.db2.gz MXEXCLPRMOFYKC-ZIAGYGMSSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3nonc3c2)CC[C@@H]1C ZINC001071793080 789921985 /nfs/dbraw/zinc/92/19/85/789921985.db2.gz URRXGTIDIPRXTI-JSGCOSHPSA-N 0 3 314.389 2.382 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(C)ncc2Cl)CC[C@@H]1C ZINC001071870446 789951530 /nfs/dbraw/zinc/95/15/30/789951530.db2.gz APXCUMXXLIOMOB-WCQYABFASA-N 0 3 320.824 2.044 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)nc2OC)CC[C@H]1C ZINC001071881521 789956491 /nfs/dbraw/zinc/95/64/91/789956491.db2.gz ZDTHHJUCSJKIBS-HUUCEWRRSA-N 0 3 315.417 2.005 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(C(F)F)c2)CC[C@H]1C ZINC001071938916 789980170 /nfs/dbraw/zinc/98/01/70/789980170.db2.gz PLUZIYTUWYTJON-DGCLKSJQSA-N 0 3 312.364 2.437 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2cc(CC)c[nH]c2=O)CC[C@H]1C ZINC001071943010 789981323 /nfs/dbraw/zinc/98/13/23/789981323.db2.gz VHFVCHCGKULJEN-TZMCWYRMSA-N 0 3 303.406 2.118 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)nn(CC)c2C)CC[C@@H]1C ZINC001071992050 790001630 /nfs/dbraw/zinc/00/16/30/790001630.db2.gz JASBOGAXXYRUOK-XJKSGUPXSA-N 0 3 318.465 2.217 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2csc(CC)n2)CC[C@@H]1C ZINC001072099589 790052113 /nfs/dbraw/zinc/05/21/13/790052113.db2.gz TTWIFVDVGIUGTM-QWHCGFSZSA-N 0 3 307.463 2.403 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccnn3[C@@H](C)CC)C2)C1 ZINC001072788338 790247822 /nfs/dbraw/zinc/24/78/22/790247822.db2.gz IJAXVGBLVCKMJM-HNNXBMFYSA-N 0 3 314.433 2.025 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3sccc3C)C[C@]2(C)C1 ZINC001091441928 791181091 /nfs/dbraw/zinc/18/10/91/791181091.db2.gz LXHWGTNSTAXBHW-PBHICJAKSA-N 0 3 302.443 2.474 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccc3)CC1)C2 ZINC001098333246 791451281 /nfs/dbraw/zinc/45/12/81/791451281.db2.gz OJZLYPXVZDDDOK-KURKYZTESA-N 0 3 308.425 2.463 20 30 DEEDHN CC(=O)N1CC[C@H](CNCc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001075172442 791494180 /nfs/dbraw/zinc/49/41/80/791494180.db2.gz QXRMHUALUVTKQN-SWLSCSKDSA-N 0 3 303.381 2.291 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCO[C@H](C)CC(C)C)C2)C1 ZINC001147534616 791571741 /nfs/dbraw/zinc/57/17/41/791571741.db2.gz JNFJROPYTVDFQC-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2cnns2)[C@@H](C)C1 ZINC001075314514 791579968 /nfs/dbraw/zinc/57/99/68/791579968.db2.gz GHUBPCRPXSVRPO-QWHCGFSZSA-N 0 3 322.478 2.325 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C(C)(C)C)C2 ZINC001098189169 791589583 /nfs/dbraw/zinc/58/95/83/791589583.db2.gz UEBQILQCPRDEGO-YUELXQCFSA-N 0 3 314.433 2.066 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnccc1N(C)C)C2 ZINC001098230238 791594168 /nfs/dbraw/zinc/59/41/68/791594168.db2.gz BHWNDVGQDWTGCU-UNEWFSDZSA-N 0 3 314.433 2.059 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)cc(F)c1)C2 ZINC001098336595 791610927 /nfs/dbraw/zinc/61/09/27/791610927.db2.gz OMUGIVAJINBDDH-OAGGEKHMSA-N 0 3 304.340 2.323 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN[C@@H](C)c2cccc(F)c2)nc1 ZINC001148376136 791742290 /nfs/dbraw/zinc/74/22/90/791742290.db2.gz BSEKQSBMPMLKOO-ZDUSSCGKSA-N 0 3 311.360 2.283 20 30 DEEDHN CCCCCCCCC(=O)NCCN[C@@H](C)C(=O)NCCC ZINC001148728097 791794310 /nfs/dbraw/zinc/79/43/10/791794310.db2.gz VUGIVAWXBQNHFE-HNNXBMFYSA-N 0 3 313.486 2.358 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cccnc3)C2)CC1 ZINC001086898393 791841360 /nfs/dbraw/zinc/84/13/60/791841360.db2.gz HQAHKXVHJFXVTL-INIZCTEOSA-N 0 3 311.429 2.422 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cc(C)no3)C2)CC1 ZINC001086902644 791842948 /nfs/dbraw/zinc/84/29/48/791842948.db2.gz KVENTNZGUCUNGX-HNNXBMFYSA-N 0 3 315.417 2.323 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)COC3CCCC3)C2)CC1 ZINC001086906296 791844809 /nfs/dbraw/zinc/84/48/09/791844809.db2.gz ULUFFDOCPAQTLV-INIZCTEOSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCCN1CCC2(C[C@@H](C)N(C(=O)C(=O)C(C)(C)C)C2)CC1 ZINC001086910969 791847808 /nfs/dbraw/zinc/84/78/08/791847808.db2.gz GEFVSTUAWJEDPI-OAHLLOKOSA-N 0 3 318.461 2.328 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)Cc3ccc(C)o3)C2)CC1 ZINC001086917147 791849869 /nfs/dbraw/zinc/84/98/69/791849869.db2.gz AKDQEFYDFVOCBY-OAHLLOKOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[C@@H]3C(F)F)C2)CC1 ZINC001086919041 791850623 /nfs/dbraw/zinc/85/06/23/791850623.db2.gz FKNXMAFNEPQEGW-RDBSUJKOSA-N 0 3 310.388 2.224 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)/C=C/c3ccc[nH]3)C2)CC1 ZINC001086919505 791851661 /nfs/dbraw/zinc/85/16/61/791851661.db2.gz QJSGRMWJHZMAMT-MOEXGYKKSA-N 0 3 311.429 2.364 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccns3)C2)CC1 ZINC001086924891 791854039 /nfs/dbraw/zinc/85/40/39/791854039.db2.gz FGLPXHCPBCEWRH-AWEZNQCLSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cncc(F)c3)C2)CC1 ZINC001086915883 791854347 /nfs/dbraw/zinc/85/43/47/791854347.db2.gz VWZFEXFXISJDME-AWEZNQCLSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc(C#C)cn3)C2)CC1 ZINC001086953766 791863046 /nfs/dbraw/zinc/86/30/46/791863046.db2.gz RYVXFPHYLYXFJY-INIZCTEOSA-N 0 3 321.424 2.013 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@]2(C)C1 ZINC001091867358 791895942 /nfs/dbraw/zinc/89/59/42/791895942.db2.gz ALJRWBCMUHFRNK-ZMMAXQRCSA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(F)cc(F)cc3F)C[C@]2(C)C1 ZINC001091967383 791906906 /nfs/dbraw/zinc/90/69/06/791906906.db2.gz CYWJNDGBCACCEW-DIFFPNOSSA-N 0 3 322.330 2.131 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@]2(C)C1 ZINC001092260969 791970603 /nfs/dbraw/zinc/97/06/03/791970603.db2.gz GZEBVQRYBUXOAR-BEFAXECRSA-N 0 3 307.397 2.195 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)n3c(C)ccc3C)C[C@]2(C)C1 ZINC001092301748 791973676 /nfs/dbraw/zinc/97/36/76/791973676.db2.gz MDLSFOUWLDUILK-SCTDSRPQSA-N 0 3 313.445 2.079 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)c(F)c(C)c3)C[C@]2(C)C1 ZINC001092285169 791980853 /nfs/dbraw/zinc/98/08/53/791980853.db2.gz XDJYTZNGZPPOGF-APWZRJJASA-N 0 3 314.404 2.470 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001098912466 791981569 /nfs/dbraw/zinc/98/15/69/791981569.db2.gz AHNQQXFWICIKQE-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001092294267 791982073 /nfs/dbraw/zinc/98/20/73/791982073.db2.gz OEIWLVDYSVVXQD-POAQFYNOSA-N 0 3 310.441 2.279 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C)c3ccccc23)C1 ZINC001098928852 791987118 /nfs/dbraw/zinc/98/71/18/791987118.db2.gz WPBKDHFYINZCGF-YWZLYKJASA-N 0 3 321.424 2.396 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC1CC1 ZINC001098981741 792016010 /nfs/dbraw/zinc/01/60/10/792016010.db2.gz FOUIMYOJPRXLQG-ZBFHGGJFSA-N 0 3 321.465 2.179 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ocnc2CC)C1 ZINC001099018562 792040224 /nfs/dbraw/zinc/04/02/24/792040224.db2.gz HTLDTJASUKTGGZ-GUYCJALGSA-N 0 3 303.406 2.397 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(CC)cn2)C1 ZINC001099039029 792055816 /nfs/dbraw/zinc/05/58/16/792055816.db2.gz MTWHWDGWMCNYAF-LPHOPBHVSA-N 0 3 313.445 2.343 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(CC)cc2)C1 ZINC001099053666 792063196 /nfs/dbraw/zinc/06/31/96/792063196.db2.gz FFWAXYDUZYKUAJ-ICSRJNTNSA-N 0 3 310.441 2.395 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001099103953 792094006 /nfs/dbraw/zinc/09/40/06/792094006.db2.gz KMFWRVDFAXMQML-KSSFIOAISA-N 0 3 316.449 2.314 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(COCC)CC1 ZINC001099131108 792108602 /nfs/dbraw/zinc/10/86/02/792108602.db2.gz XYBJNWBZYJPWQQ-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1nc(C)no1 ZINC001099166210 792123224 /nfs/dbraw/zinc/12/32/24/792123224.db2.gz TZJXKHSYDQAIDQ-CQSZACIVSA-N 0 3 320.437 2.103 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(Cl)ccc2F)[C@H](C)C1 ZINC001092798742 792129229 /nfs/dbraw/zinc/12/92/29/792129229.db2.gz KEMRUEBUAPADFA-VXGBXAGGSA-N 0 3 308.784 2.410 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1C(F)(F)F ZINC001099207415 792138402 /nfs/dbraw/zinc/13/84/02/792138402.db2.gz DQYCIHQXSWXRNT-VXGBXAGGSA-N 0 3 302.296 2.367 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C(F)(F)F ZINC001099221365 792142037 /nfs/dbraw/zinc/14/20/37/792142037.db2.gz DFBUNRGJAKQZNB-RKDXNWHRSA-N 0 3 318.261 2.494 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cccn1 ZINC001099345345 792176347 /nfs/dbraw/zinc/17/63/47/792176347.db2.gz XWSNDGIPDDDDMJ-MRXNPFEDSA-N 0 3 318.465 2.456 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001092981674 792182474 /nfs/dbraw/zinc/18/24/74/792182474.db2.gz IMGNDOHLSNXLAY-UWPRJSOQSA-N 0 3 312.841 2.014 20 30 DEEDHN CCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC2(CCOCC2)C1 ZINC001099581425 792251033 /nfs/dbraw/zinc/25/10/33/792251033.db2.gz SXRIOZRWKAHGAT-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C[C@@H]1O ZINC001099850942 792381383 /nfs/dbraw/zinc/38/13/83/792381383.db2.gz SQSDBPSDTGZRRA-ROUUACIJSA-N 0 3 316.445 2.403 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](O)C1 ZINC001099925609 792404456 /nfs/dbraw/zinc/40/44/56/792404456.db2.gz HDRSBHMAVCHLKQ-STQMWFEESA-N 0 3 318.408 2.185 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C[C@H]1O ZINC001099945436 792413262 /nfs/dbraw/zinc/41/32/62/792413262.db2.gz XFLCTBSVEGYGSN-DLBZAZTESA-N 0 3 316.445 2.259 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2C)C[C@@H]1O ZINC001099974091 792425543 /nfs/dbraw/zinc/42/55/43/792425543.db2.gz NCWHBOXILZUYOR-ROUUACIJSA-N 0 3 316.445 2.403 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C[C@@H]1O ZINC001099974089 792426484 /nfs/dbraw/zinc/42/64/84/792426484.db2.gz NCWHBOXILZUYOR-MSOLQXFVSA-N 0 3 316.445 2.403 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100085896 792466568 /nfs/dbraw/zinc/46/65/68/792466568.db2.gz SOHKKFFJRWBMMY-SJORKVTESA-N 0 3 308.466 2.312 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)CCCCC)[C@@H](O)C1 ZINC001100119176 792478195 /nfs/dbraw/zinc/47/81/95/792478195.db2.gz FUZDAEMHFJCTOU-HOTGVXAUSA-N 0 3 308.466 2.168 20 30 DEEDHN C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001171419824 792504680 /nfs/dbraw/zinc/50/46/80/792504680.db2.gz ODRNFMGKYCSKKD-LBPRGKRZSA-N 0 3 318.421 2.124 20 30 DEEDHN CCc1nc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cs1 ZINC001093673228 792537747 /nfs/dbraw/zinc/53/77/47/792537747.db2.gz MLJWSSYJBFHWKK-YNEHKIRRSA-N 0 3 320.462 2.049 20 30 DEEDHN C#CCCCC(=O)NCC1CC(NCc2conc2CC)C1 ZINC001100283159 792564547 /nfs/dbraw/zinc/56/45/47/792564547.db2.gz CSMQJRSFISJWMC-UHFFFAOYSA-N 0 3 303.406 2.025 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2cnccc2C)C1 ZINC001100418391 792637822 /nfs/dbraw/zinc/63/78/22/792637822.db2.gz QBMAZTDRMUIHOE-UHFFFAOYSA-N 0 3 307.825 2.169 20 30 DEEDHN CC[C@H](F)C(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001100573738 792726413 /nfs/dbraw/zinc/72/64/13/792726413.db2.gz JTPJBQTWHBNRMJ-ZALBZXLWSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](CCC)OCC)C1 ZINC001100593854 792738951 /nfs/dbraw/zinc/73/89/51/792738951.db2.gz ZZZCBNDVFZMWRW-RUXDESIVSA-N 0 3 302.846 2.429 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C2 ZINC001110156970 792908174 /nfs/dbraw/zinc/90/81/74/792908174.db2.gz HZKFDXKPOSYIER-VSZNYVQBSA-N 0 3 313.445 2.197 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC001094425852 792914738 /nfs/dbraw/zinc/91/47/38/792914738.db2.gz BLKAXJMMBVTBLN-IEBWSBKVSA-N 0 3 311.429 2.306 20 30 DEEDHN CC#CCN1CC[C@@]2(CNC(=O)c3cc(Cl)no3)CCC[C@@H]12 ZINC001094565132 792984461 /nfs/dbraw/zinc/98/44/61/792984461.db2.gz MZKZTPSUMWGGNB-CZUORRHYSA-N 0 3 321.808 2.326 20 30 DEEDHN C=CC(=NCOC)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001171524231 793123984 /nfs/dbraw/zinc/12/39/84/793123984.db2.gz PHTSLKAKJWOVQK-INIZCTEOSA-N 0 3 315.417 2.203 20 30 DEEDHN CCCCCCCCC(=O)NCCCNCc1cnnn1C ZINC001171822358 793208645 /nfs/dbraw/zinc/20/86/45/793208645.db2.gz CUJPYNBQCKNTNE-UHFFFAOYSA-N 0 3 309.458 2.162 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H]1CN(Cc2conc2C)C[C@H]1C ZINC001101893957 793428918 /nfs/dbraw/zinc/42/89/18/793428918.db2.gz ZZYVEWVAZNVRAR-GDBMZVCRSA-N 0 3 317.433 2.361 20 30 DEEDHN Cc1cc(CN2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)sn1 ZINC001101948858 793456797 /nfs/dbraw/zinc/45/67/97/793456797.db2.gz IZESTMJSQIJOOG-UKRRQHHQSA-N 0 3 319.474 2.295 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102219271 793533845 /nfs/dbraw/zinc/53/38/45/793533845.db2.gz AHKJSKCJEVQLRL-GDBMZVCRSA-N 0 3 318.465 2.207 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CC(C)=C(C)C)[C@H](C)C1 ZINC001102241034 793542259 /nfs/dbraw/zinc/54/22/59/793542259.db2.gz BUQVTOMRMHZQEK-IAGOWNOFSA-N 0 3 306.450 2.067 20 30 DEEDHN C=CCN1CCN([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172965672 793545983 /nfs/dbraw/zinc/54/59/83/793545983.db2.gz UZRLIICIVKPCOA-OAHLLOKOSA-N 0 3 311.470 2.436 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001102252625 793546033 /nfs/dbraw/zinc/54/60/33/793546033.db2.gz JQUXKGATCTVCKJ-IAGOWNOFSA-N 0 3 313.445 2.459 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCCC[C@@H]2CO)C[C@H]1C#N ZINC001172977617 793548194 /nfs/dbraw/zinc/54/81/94/793548194.db2.gz DJGVBCHBBLOIQL-ZNMIVQPWSA-N 0 3 323.437 2.125 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](NC2CC(C#N)C2)C[C@H]1C#N ZINC001172978459 793550306 /nfs/dbraw/zinc/55/03/06/793550306.db2.gz QLWDZTKMSXIBDI-YIOUJQMASA-N 0 3 304.394 2.170 20 30 DEEDHN CCO[C@@H]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172990727 793551106 /nfs/dbraw/zinc/55/11/06/793551106.db2.gz QYRZJXUAAUXUBX-QLFBSQMISA-N 0 3 323.437 2.389 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC001102272009 793553589 /nfs/dbraw/zinc/55/35/89/793553589.db2.gz FEBDUTIINBSAOS-NVXWUHKLSA-N 0 3 320.477 2.147 20 30 DEEDHN C[C@@H]1C[C@@H](O)CCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992169 793562009 /nfs/dbraw/zinc/56/20/09/793562009.db2.gz RMPZKISRODAGFI-QPSCCSFWSA-N 0 3 323.437 2.123 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102328241 793575079 /nfs/dbraw/zinc/57/50/79/793575079.db2.gz BDISFBBMHQLQPT-KYJSFNMBSA-N 0 3 318.465 2.207 20 30 DEEDHN CC(=O)NCC[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001102627679 793677661 /nfs/dbraw/zinc/67/76/61/793677661.db2.gz LUAWUVHVPGSWMN-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1C ZINC001102762944 793746376 /nfs/dbraw/zinc/74/63/76/793746376.db2.gz ZOSXVZKXIFHHAJ-RHSMWYFYSA-N 0 3 316.449 2.325 20 30 DEEDHN CCOC(=O)[C@@H]1CC12CCC(NC(=N)c1ccc(F)cn1)CC2 ZINC001173605621 793778611 /nfs/dbraw/zinc/77/86/11/793778611.db2.gz WYDKVWWZDUZJAX-JZLYGMAVSA-N 0 3 319.380 2.438 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001174848700 794085557 /nfs/dbraw/zinc/08/55/57/794085557.db2.gz GMGOZPYBQSSZGR-CABCVRRESA-N 0 3 321.469 2.182 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111666919 794451132 /nfs/dbraw/zinc/45/11/32/794451132.db2.gz OVNSYHLDINQKNX-GVXVVHGQSA-N 0 3 303.328 2.069 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccsc2)C1 ZINC001111777242 794476666 /nfs/dbraw/zinc/47/66/66/794476666.db2.gz WEGWRLOUBSKRGK-RDJZCZTQSA-N 0 3 302.443 2.285 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@H](C)CCCCNCc1cc(C)no1 ZINC001176801843 794514338 /nfs/dbraw/zinc/51/43/38/794514338.db2.gz SETSZLTWNUHAHX-HIFRSBDPSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCc2cccnc2)C1 ZINC001111917138 794526909 /nfs/dbraw/zinc/52/69/09/794526909.db2.gz NWSOEYODOWAFEY-HKUYNNGSSA-N 0 3 311.429 2.008 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112086462 794557810 /nfs/dbraw/zinc/55/78/10/794557810.db2.gz BPGBQJYLPWDLJV-VXGBXAGGSA-N 0 3 322.371 2.357 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@H](C)COC)C1 ZINC001112143042 794564160 /nfs/dbraw/zinc/56/41/60/794564160.db2.gz FWQOSHYIYQZICB-IJLUTSLNSA-N 0 3 322.371 2.212 20 30 DEEDHN C=CCCOCC(=O)NCCCNCc1oc(CCC)nc1C ZINC001177264560 794628307 /nfs/dbraw/zinc/62/83/07/794628307.db2.gz OLTKXVOHKDNCSH-UHFFFAOYSA-N 0 3 323.437 2.124 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2cnns2)CCCC1 ZINC001177548163 794698560 /nfs/dbraw/zinc/69/85/60/794698560.db2.gz RXKREQGJTJIJRJ-UHFFFAOYSA-N 0 3 308.451 2.271 20 30 DEEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1CC ZINC001115282486 794721280 /nfs/dbraw/zinc/72/12/80/794721280.db2.gz PVWWZMONONFDRF-FICVDOATSA-N 0 3 320.458 2.173 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001115337531 794739965 /nfs/dbraw/zinc/73/99/65/794739965.db2.gz YREVCPXKABFATG-VZEFYGNVSA-N 0 3 302.393 2.237 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc[n+]([O-])cc2)CCCCC1 ZINC001115393374 794757713 /nfs/dbraw/zinc/75/77/13/794757713.db2.gz VZEPCBRFXQBHCT-UHFFFAOYSA-N 0 3 323.824 2.095 20 30 DEEDHN C=CCCC(=O)NCCCCCCNCc1ccnc(OC)n1 ZINC001178007495 794794220 /nfs/dbraw/zinc/79/42/20/794794220.db2.gz DWBZXLZVVMGEMA-UHFFFAOYSA-N 0 3 320.437 2.218 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)C2=CCOCC2)CCCCC1 ZINC001115499128 794799481 /nfs/dbraw/zinc/79/94/81/794799481.db2.gz OYNMHHQEDZDDTH-UHFFFAOYSA-N 0 3 312.841 2.494 20 30 DEEDHN Cc1nc(CNCCCCCCNC(=O)[C@@H](C)C#N)cs1 ZINC001178058542 794809688 /nfs/dbraw/zinc/80/96/88/794809688.db2.gz HBUDXWQRXNVZJG-LBPRGKRZSA-N 0 3 308.451 2.377 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)COCC(F)F)CCCCC1 ZINC001115646986 794857916 /nfs/dbraw/zinc/85/79/16/794857916.db2.gz ZDXVGVABYLLVNC-UHFFFAOYSA-N 0 3 324.799 2.429 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](NCc2cccnc2)[C@@H]1C ZINC001178278657 794881965 /nfs/dbraw/zinc/88/19/65/794881965.db2.gz LJPHOQPCVIXGHC-UXLLHSPISA-N 0 3 317.433 2.142 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)COC)C12CCC2 ZINC001203186711 794887262 /nfs/dbraw/zinc/88/72/62/794887262.db2.gz XGRVUYBAXZWQLP-STQMWFEESA-N 0 3 314.857 2.429 20 30 DEEDHN CC[C@H](C(=O)N(C)C[C@H](C)Nc1cccc(F)c1C#N)N(C)C ZINC001115785184 794919091 /nfs/dbraw/zinc/91/90/91/794919091.db2.gz BIWSBLFWQZIEHB-BLLLJJGKSA-N 0 3 320.412 2.296 20 30 DEEDHN C=C(C)C[NH2+]CCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC001178564560 794952204 /nfs/dbraw/zinc/95/22/04/794952204.db2.gz SOWXLJSDZNRAEP-UHFFFAOYSA-N 0 3 315.421 2.414 20 30 DEEDHN C=CC[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)OCC ZINC001116588838 794972201 /nfs/dbraw/zinc/97/22/01/794972201.db2.gz MDOADUURBUNHEA-GJZGRUSLSA-N 0 3 308.422 2.017 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001178791842 794995261 /nfs/dbraw/zinc/99/52/61/794995261.db2.gz WUZXHPKGEAIFPY-ZFWWWQNUSA-N 0 3 304.438 2.101 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(C(=O)c2cccs2)CC1 ZINC001118060525 795147738 /nfs/dbraw/zinc/14/77/38/795147738.db2.gz FYSPYAIWKVTOHH-CYBMUJFWSA-N 0 3 319.430 2.191 20 30 DEEDHN CC(=O)N1C[C@@H](C)[C@](C)(CNCc2cc(F)ccc2C#N)C1 ZINC001180376818 795285236 /nfs/dbraw/zinc/28/52/36/795285236.db2.gz WYKVMTQPTICEJB-SJKOYZFVSA-N 0 3 303.381 2.291 20 30 DEEDHN C=CCCOCC(=O)NCCCCCCNCc1cc(C)no1 ZINC001180427876 795295067 /nfs/dbraw/zinc/29/50/67/795295067.db2.gz NPRJKQKVQUNDES-UHFFFAOYSA-N 0 3 323.437 2.342 20 30 DEEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(CNCc2ccccc2C#N)C1 ZINC001180913583 795388903 /nfs/dbraw/zinc/38/89/03/795388903.db2.gz IGEUEITWCXKYDI-SPYBWZPUSA-N 0 3 324.428 2.292 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2cc(C)no2)C1 ZINC001181271992 795450357 /nfs/dbraw/zinc/45/03/57/795450357.db2.gz RFYWKFNERSSACN-RDTXWAMCSA-N 0 3 317.433 2.361 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cnoc3C)C2)C1 ZINC001120812625 795535290 /nfs/dbraw/zinc/53/52/90/795535290.db2.gz CZBGFCMJDDJOQR-UHFFFAOYSA-N 0 3 303.406 2.466 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cncc(F)c2)CC1 ZINC001151069476 795555063 /nfs/dbraw/zinc/55/50/63/795555063.db2.gz PIXVADNVTRDQDJ-UHFFFAOYSA-N 0 3 321.396 2.008 20 30 DEEDHN C=C(C)CCC(=O)NC1CC2(CC(NCc3nccn3C)C2)C1 ZINC001121180392 795599619 /nfs/dbraw/zinc/59/96/19/795599619.db2.gz QBPKZFQXCQAXNB-UHFFFAOYSA-N 0 3 316.449 2.293 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)CCOc1ccccc1OC ZINC001121925108 795705029 /nfs/dbraw/zinc/70/50/29/795705029.db2.gz PJQJBZNWIHXMGP-AWEZNQCLSA-N 0 3 306.406 2.216 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC001122003863 795714859 /nfs/dbraw/zinc/71/48/59/795714859.db2.gz HRZQNOXLQUCETE-DOTOQJQBSA-N 0 3 301.434 2.455 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)C1 ZINC001182598575 795718295 /nfs/dbraw/zinc/71/82/95/795718295.db2.gz KNLOXNKBHPWJMZ-RHSMWYFYSA-N 0 3 302.393 2.218 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 ZINC001182734872 795744854 /nfs/dbraw/zinc/74/48/54/795744854.db2.gz CLICDMYYBUIPOF-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN C[C@H](Sc1ccc(F)cc1)C(=O)C(C#N)C(=O)NC1CC1 ZINC001122451750 795759986 /nfs/dbraw/zinc/75/99/86/795759986.db2.gz CPAHWRJOLRYQLN-ZANVPECISA-N 0 3 306.362 2.294 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(Cl)c[nH]2)cc1F ZINC001123466825 795918299 /nfs/dbraw/zinc/91/82/99/795918299.db2.gz UQLJYGXUIJLGKF-UHFFFAOYSA-N 0 3 320.755 2.198 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CCCCC ZINC001123603047 795942455 /nfs/dbraw/zinc/94/24/55/795942455.db2.gz KDTDNNDWDHIIFB-OAHLLOKOSA-N 0 3 311.470 2.086 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2c(C)cccc2Cl)C1 ZINC001183955975 795966510 /nfs/dbraw/zinc/96/65/10/795966510.db2.gz JMTGNZTWJKKVNI-CQSZACIVSA-N 0 3 304.821 2.405 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)C1 ZINC001184092348 795987802 /nfs/dbraw/zinc/98/78/02/795987802.db2.gz MLFGTKHSNLGDGZ-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001123860859 795989346 /nfs/dbraw/zinc/98/93/46/795989346.db2.gz GOOUDSQOUURNTF-IRXDYDNUSA-N 0 3 306.450 2.249 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2coc3ccc(OC)cc23)C1 ZINC001184127706 795992351 /nfs/dbraw/zinc/99/23/51/795992351.db2.gz QKKWZAPAXXWQSA-CYBMUJFWSA-N 0 3 312.369 2.269 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001184498526 796072835 /nfs/dbraw/zinc/07/28/35/796072835.db2.gz SLUHXNPVTPMEFU-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001184483721 796073643 /nfs/dbraw/zinc/07/36/43/796073643.db2.gz RVCTYCWEPKLMAZ-CEXWTWQISA-N 0 3 310.441 2.469 20 30 DEEDHN C#CCOc1ccc(CN2CCC3(COC3)CC2)cc1OC ZINC001138341968 796199953 /nfs/dbraw/zinc/19/99/53/796199953.db2.gz WQMQDSDWFWDQGQ-UHFFFAOYSA-N 0 3 301.386 2.320 20 30 DEEDHN C#CCOc1ccc(CN2CC[C@@H](F)[C@@H](O)CC2)cc1OC ZINC001138343963 796201615 /nfs/dbraw/zinc/20/16/15/796201615.db2.gz TZGCUIBSUKORAY-CABCVRRESA-N 0 3 307.365 2.002 20 30 DEEDHN C#CCOc1ccc(CN(CC)CCn2cccn2)cc1OC ZINC001138348186 796203134 /nfs/dbraw/zinc/20/31/34/796203134.db2.gz GYXQTFHZCGUKMK-UHFFFAOYSA-N 0 3 313.401 2.426 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC001185377171 796243954 /nfs/dbraw/zinc/24/39/54/796243954.db2.gz BSCCCZSCDKSIRK-CQSZACIVSA-N 0 3 308.784 2.235 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1[O-] ZINC001138627592 796245801 /nfs/dbraw/zinc/24/58/01/796245801.db2.gz BDMXYVGNIALJJN-QGZVFWFLSA-N 0 3 302.374 2.195 20 30 DEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1[O-] ZINC001138627592 796245807 /nfs/dbraw/zinc/24/58/07/796245807.db2.gz BDMXYVGNIALJJN-QGZVFWFLSA-N 0 3 302.374 2.195 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)C3C(=O)OC)c1[O-] ZINC001138631281 796247567 /nfs/dbraw/zinc/24/75/67/796247567.db2.gz NRKQIOUEPQAFGU-XYPWUTKMSA-N 0 3 301.386 2.362 20 30 DEEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)C3C(=O)OC)c1[O-] ZINC001138631281 796247571 /nfs/dbraw/zinc/24/75/71/796247571.db2.gz NRKQIOUEPQAFGU-XYPWUTKMSA-N 0 3 301.386 2.362 20 30 DEEDHN C=CCOC(=O)N1CC2(C1)CCN(Cc1c(C)n[nH]c1C)CC2 ZINC001139094584 796320887 /nfs/dbraw/zinc/32/08/87/796320887.db2.gz LWPJAKBKQLGIGM-UHFFFAOYSA-N 0 3 318.421 2.247 20 30 DEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cnc(N)s1)CC2 ZINC001139226712 796344115 /nfs/dbraw/zinc/34/41/15/796344115.db2.gz GGRVFUOCOFNAQT-MRXNPFEDSA-N 0 3 320.462 2.258 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC001186732225 796435779 /nfs/dbraw/zinc/43/57/79/796435779.db2.gz RMUMFHLUNQOWDB-OAHLLOKOSA-N 0 3 318.417 2.165 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001186993494 796474788 /nfs/dbraw/zinc/47/47/88/796474788.db2.gz DRLDRCYBDJYWGU-FRRDWIJNSA-N 0 3 306.435 2.039 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H](Oc4ncccn4)C3)c2c1 ZINC001140117039 796478973 /nfs/dbraw/zinc/47/89/73/796478973.db2.gz KRFSLLMOQUNDQF-HNNXBMFYSA-N 0 3 319.368 2.483 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110391328 796499367 /nfs/dbraw/zinc/49/93/67/796499367.db2.gz HRWCVGIMGLNYQG-ZACQAIPSSA-N 0 3 300.402 2.111 20 30 DEEDHN CCCCCCCCCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001187367756 796524897 /nfs/dbraw/zinc/52/48/97/796524897.db2.gz VAKZWFXPCFUDSB-LSDHHAIUSA-N 0 3 311.470 2.191 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC001140542772 796536823 /nfs/dbraw/zinc/53/68/23/796536823.db2.gz DEKIHLKPFLESHU-LJQANCHMSA-N 0 3 324.428 2.178 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)cn1 ZINC001140547630 796538842 /nfs/dbraw/zinc/53/88/42/796538842.db2.gz YABRSEIROKPLOH-DLBZAZTESA-N 0 3 302.397 2.352 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCCOc2cccc(C)c2)C1 ZINC001187608354 796555605 /nfs/dbraw/zinc/55/56/05/796555605.db2.gz JKTXQZRPTDJSLE-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN N#Cc1ccc(Oc2ccc(CN3C[C@H](O)[C@H](CO)C3)cc2)cc1 ZINC001141289600 796657194 /nfs/dbraw/zinc/65/71/94/796657194.db2.gz LFJWRTSCRKPZCM-LPHOPBHVSA-N 0 3 324.380 2.136 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001188709137 796708481 /nfs/dbraw/zinc/70/84/81/796708481.db2.gz LAQMWCJTJBNVQQ-QGZVFWFLSA-N 0 3 302.418 2.344 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN(CCOCC=C)C[C@H]32)cc1 ZINC001188744222 796715125 /nfs/dbraw/zinc/71/51/25/796715125.db2.gz LIOZTIZSQGJRFX-RBUKOAKNSA-N 0 3 324.424 2.017 20 30 DEEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)[C@@H]2C1 ZINC001189151995 796776256 /nfs/dbraw/zinc/77/62/56/796776256.db2.gz XFKUERNDYARAQH-MELADBBJSA-N 0 3 316.392 2.013 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCn2cc(Cl)cn2)C1 ZINC001189318385 796807525 /nfs/dbraw/zinc/80/75/25/796807525.db2.gz KYWLNSGNDPAARI-CQSZACIVSA-N 0 3 310.829 2.035 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001189651333 796866447 /nfs/dbraw/zinc/86/64/47/796866447.db2.gz HVHFHMPMWUEKAO-OAHLLOKOSA-N 0 3 306.406 2.245 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)CC(F)F)C1 ZINC001149998329 796911842 /nfs/dbraw/zinc/91/18/42/796911842.db2.gz FQZCHXVVARHXKX-QWHCGFSZSA-N 0 3 304.381 2.061 20 30 DEEDHN COc1ccc(CN(C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)cc1 ZINC001190046767 796925710 /nfs/dbraw/zinc/92/57/10/796925710.db2.gz KZIATOOTEKVJCW-QGZVFWFLSA-N 0 3 314.429 2.387 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](F)c2ccccc2)C1 ZINC001150371825 796937986 /nfs/dbraw/zinc/93/79/86/796937986.db2.gz MQXFMRJZDSOJNC-DLBZAZTESA-N 0 3 320.408 2.480 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2(F)CCCCC2)C1 ZINC001150554009 796953834 /nfs/dbraw/zinc/95/38/34/796953834.db2.gz PNKUJARHJUMGLM-OAHLLOKOSA-N 0 3 312.429 2.442 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001150561476 796954306 /nfs/dbraw/zinc/95/43/06/796954306.db2.gz BJSQQFWMTRUVDP-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2c(C)ccn2C)CC1 ZINC001151091232 797009870 /nfs/dbraw/zinc/00/98/70/797009870.db2.gz UALZWQDGDUMJAO-UHFFFAOYSA-N 0 3 319.449 2.120 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001190968010 797115833 /nfs/dbraw/zinc/11/58/33/797115833.db2.gz BAXXATGNWICJHO-GVDBMIGSSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001190989263 797120225 /nfs/dbraw/zinc/12/02/25/797120225.db2.gz NJIRLDXIKDUPMC-AWEZNQCLSA-N 0 3 316.392 2.157 20 30 DEEDHN CC#CCN(C)[C@@H]1CCN(C(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001191144467 797153820 /nfs/dbraw/zinc/15/38/20/797153820.db2.gz NCNROIWMZRISRG-GFCCVEGCSA-N 0 3 320.824 2.110 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2ccc(F)s2)s1 ZINC001153356673 797327749 /nfs/dbraw/zinc/32/77/49/797327749.db2.gz XRRPXQCJKJIPLX-UHFFFAOYSA-N 0 3 309.391 2.340 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@@H](N(C)CCn3cccn3)C2)CC1 ZINC001192207805 797338439 /nfs/dbraw/zinc/33/84/39/797338439.db2.gz ZPGIAUZIAZBEOT-MRXNPFEDSA-N 0 3 316.449 2.162 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ncoc1-c1ccccc1 ZINC001153710263 797380525 /nfs/dbraw/zinc/38/05/25/797380525.db2.gz JOUXSKSCAHVRJK-CQSZACIVSA-N 0 3 311.385 2.415 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001192397881 797382787 /nfs/dbraw/zinc/38/27/87/797382787.db2.gz NTWADZCEKHPJEK-QWHCGFSZSA-N 0 3 304.381 2.013 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001192563025 797407255 /nfs/dbraw/zinc/40/72/55/797407255.db2.gz CVOAVUHPHLBQQF-HUUCEWRRSA-N 0 3 307.438 2.068 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)c1cc(C)ccn1 ZINC001154020968 797444865 /nfs/dbraw/zinc/44/48/65/797444865.db2.gz WNHUSOJFQMASJQ-OAHLLOKOSA-N 0 3 301.434 2.127 20 30 DEEDHN C#CC[C@@H](NC[C@H](O)CN(C)CC(F)(F)F)c1ccccc1 ZINC001192792967 797456415 /nfs/dbraw/zinc/45/64/15/797456415.db2.gz UZHDZBKFEDNXBM-LSDHHAIUSA-N 0 3 314.351 2.196 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001193130576 797504711 /nfs/dbraw/zinc/50/47/11/797504711.db2.gz MENOGHUZYCGCST-HZPDHXFCSA-N 0 3 314.385 2.174 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1conc1C(F)(F)F ZINC001154348232 797518719 /nfs/dbraw/zinc/51/87/19/797518719.db2.gz WRTVGPIZAXCFLE-SNVBAGLBSA-N 0 3 317.311 2.157 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001154373373 797525403 /nfs/dbraw/zinc/52/54/03/797525403.db2.gz GBXUWXLPWJVCPT-ZIAGYGMSSA-N 0 3 300.402 2.083 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(-c2cccs2)on1 ZINC001154505085 797546640 /nfs/dbraw/zinc/54/66/40/797546640.db2.gz ILBGOUINXSSTBA-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001154546309 797559208 /nfs/dbraw/zinc/55/92/08/797559208.db2.gz SVPTYMRKXVNCLH-GFCCVEGCSA-N 0 3 301.365 2.380 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001193722365 797611955 /nfs/dbraw/zinc/61/19/55/797611955.db2.gz DTMHFMZDCHJCBG-CYBMUJFWSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2sc(C)nc2C)C1 ZINC001193906180 797649538 /nfs/dbraw/zinc/64/95/38/797649538.db2.gz NVTRREVJZMCMEB-AWEZNQCLSA-N 0 3 323.462 2.109 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001193978214 797657669 /nfs/dbraw/zinc/65/76/69/797657669.db2.gz NMUTTZVFXMAHPS-HZPDHXFCSA-N 0 3 308.466 2.308 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001194382096 797719678 /nfs/dbraw/zinc/71/96/78/797719678.db2.gz UNKGDMVEMWCPJG-QGZVFWFLSA-N 0 3 320.408 2.451 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2c(C)cccc2F)C1 ZINC001194494785 797736861 /nfs/dbraw/zinc/73/68/61/797736861.db2.gz ZZWXJHAPHJFHPK-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001195205583 797854079 /nfs/dbraw/zinc/85/40/79/797854079.db2.gz VDNWVQYIYWQDLY-HZPDHXFCSA-N 0 3 320.408 2.184 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001155844881 797864352 /nfs/dbraw/zinc/86/43/52/797864352.db2.gz BVJYHYDDOBPDTC-KGLIPLIRSA-N 0 3 300.402 2.083 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001195399415 797893846 /nfs/dbraw/zinc/89/38/46/797893846.db2.gz AKYLXMIWQPEVIX-JHJVBQTASA-N 0 3 324.387 2.317 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001156288780 797966680 /nfs/dbraw/zinc/96/66/80/797966680.db2.gz JUKYFLBJMIBJIW-UONOGXRCSA-N 0 3 304.438 2.236 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1O ZINC001195923542 797983569 /nfs/dbraw/zinc/98/35/69/797983569.db2.gz FPJGUAOFGWBAIS-NUJGCVRESA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2nn(C)cc2Cl)CC1 ZINC001195935730 797984380 /nfs/dbraw/zinc/98/43/80/797984380.db2.gz RIGJUMNPJDZMDG-UHFFFAOYSA-N 0 3 310.829 2.188 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)Cc1cccc(COC)c1 ZINC001156374123 797986640 /nfs/dbraw/zinc/98/66/40/797986640.db2.gz JETITMGZZRMCQR-MRXNPFEDSA-N 0 3 316.445 2.225 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)C=C2CCC2)c1 ZINC001156453903 798003755 /nfs/dbraw/zinc/00/37/55/798003755.db2.gz JNGSYCCVPIPFIN-UHFFFAOYSA-N 0 3 301.365 2.404 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001196242988 798031398 /nfs/dbraw/zinc/03/13/98/798031398.db2.gz SJDHXXPRQVKONP-UHFFFAOYSA-N 0 3 316.449 2.334 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC001156652638 798053212 /nfs/dbraw/zinc/05/32/12/798053212.db2.gz BHVOONUNYAHPJW-HUUCEWRRSA-N 0 3 320.408 2.191 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)OCCO2 ZINC001156668142 798057765 /nfs/dbraw/zinc/05/77/65/798057765.db2.gz LODDLMGAGYLIJA-UHFFFAOYSA-N 0 3 304.390 2.038 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2nccnc2c1 ZINC001156781421 798082057 /nfs/dbraw/zinc/08/20/57/798082057.db2.gz FJTAKJGXCPTVKI-CQSZACIVSA-N 0 3 310.401 2.093 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1ccn(C(C)C)n1 ZINC001156827836 798089521 /nfs/dbraw/zinc/08/95/21/798089521.db2.gz JSWQEKLFZGEQFD-UHFFFAOYSA-N 0 3 304.438 2.254 20 30 DEEDHN CC#CCCCC(=O)N1CCCN(C[C@H]2CCCCO2)CC1 ZINC001196838513 798111679 /nfs/dbraw/zinc/11/16/79/798111679.db2.gz GMAMJXRAEPZACW-QGZVFWFLSA-N 0 3 306.450 2.283 20 30 DEEDHN CC#CCCCC(=O)N1CCCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC001196846375 798113829 /nfs/dbraw/zinc/11/38/29/798113829.db2.gz CRGACFFAKZVWCT-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C#CCCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001157164272 798153374 /nfs/dbraw/zinc/15/33/74/798153374.db2.gz FZFACCJAJFONPX-UHFFFAOYSA-N 0 3 301.365 2.097 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](OCC)c1ccccc1 ZINC001157241310 798169247 /nfs/dbraw/zinc/16/92/47/798169247.db2.gz GJPCPMAUQTZPKW-NVXWUHKLSA-N 0 3 302.418 2.224 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC(C)C)cn1 ZINC001157358020 798188195 /nfs/dbraw/zinc/18/81/95/798188195.db2.gz PYJYXIZBRZKGIT-OAHLLOKOSA-N 0 3 317.433 2.332 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001197770280 798235698 /nfs/dbraw/zinc/23/56/98/798235698.db2.gz UEHPMYOWESUYEG-FVQBIDKESA-N 0 3 320.433 2.362 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCOCc2ccccc2)CC1 ZINC001198159656 798290519 /nfs/dbraw/zinc/29/05/19/798290519.db2.gz STTBOVYRKFEXHF-UHFFFAOYSA-N 0 3 314.429 2.151 20 30 DEEDHN COCC#CCNCCNC(=O)c1oc2c(cccc2C)c1C ZINC001152439155 798317285 /nfs/dbraw/zinc/31/72/85/798317285.db2.gz AXEQQVTXFVFENL-UHFFFAOYSA-N 0 3 314.385 2.019 20 30 DEEDHN C#CCCN1CCCN(C(=O)CC(F)(F)C(F)(F)F)CC1 ZINC001198417516 798331355 /nfs/dbraw/zinc/33/13/55/798331355.db2.gz LPMNTSIUUKJNPT-UHFFFAOYSA-N 0 3 312.282 2.132 20 30 DEEDHN C=C(C)CCN[C@@H](CNC(=O)COC)c1ccccc1OC ZINC001198442808 798340686 /nfs/dbraw/zinc/34/06/86/798340686.db2.gz FMYXJRHKNUIZFI-HNNXBMFYSA-N 0 3 306.406 2.055 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(N(C)C)nc1 ZINC001158165457 798353656 /nfs/dbraw/zinc/35/36/56/798353656.db2.gz YYGQBBBUHHWZEX-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCCCN[C@H](CNC(=O)[C@@H](C)OC)c1ccccc1OC ZINC001198577373 798358182 /nfs/dbraw/zinc/35/81/82/798358182.db2.gz JAJCNXMTLNJPCT-GDBMZVCRSA-N 0 3 320.433 2.443 20 30 DEEDHN COc1ccccc1[C@H](CNC(=O)CSCC#N)NC(C)C ZINC001198555146 798362060 /nfs/dbraw/zinc/36/20/60/798362060.db2.gz TXBZLCCSUQRXRL-AWEZNQCLSA-N 0 3 321.446 2.107 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001158254002 798367833 /nfs/dbraw/zinc/36/78/33/798367833.db2.gz CJOKGJKTQKBPAF-BZUAXINKSA-N 0 3 316.449 2.023 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](NCCC)c1ccccc1OC ZINC001198695220 798377126 /nfs/dbraw/zinc/37/71/26/798377126.db2.gz OTRYAXOKJXXLHZ-YJBOKZPZSA-N 0 3 320.433 2.179 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001158349436 798389504 /nfs/dbraw/zinc/38/95/04/798389504.db2.gz HQAUORLVIXJNIK-CVEARBPZSA-N 0 3 314.445 2.496 20 30 DEEDHN C#Cc1cncc(C(=O)NC[C@H](NCC)c2ccccc2OC)c1 ZINC001198895701 798408309 /nfs/dbraw/zinc/40/83/09/798408309.db2.gz WHDQDHRAFFANQX-KRWDZBQOSA-N 0 3 323.396 2.152 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)COCc1ccncc1 ZINC001158654200 798445578 /nfs/dbraw/zinc/44/55/78/798445578.db2.gz RTCKOMVJZRTISE-QGZVFWFLSA-N 0 3 317.433 2.097 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001158684324 798450177 /nfs/dbraw/zinc/45/01/77/798450177.db2.gz UOCGHTZPEDCKEJ-LBPRGKRZSA-N 0 3 314.788 2.441 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001158706482 798453687 /nfs/dbraw/zinc/45/36/87/798453687.db2.gz WFAFLLCXTRLLFI-CQSZACIVSA-N 0 3 308.809 2.229 20 30 DEEDHN C=CC(C)(C)CC(=O)NCCCNCc1cccc(OC)n1 ZINC001158887267 798484385 /nfs/dbraw/zinc/48/43/85/798484385.db2.gz UQYBWYZMPKCZKY-UHFFFAOYSA-N 0 3 305.422 2.288 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)Nc1ccc(C)cc1 ZINC001159014941 798505943 /nfs/dbraw/zinc/50/59/43/798505943.db2.gz LKWJHGGKPKJWPU-UHFFFAOYSA-N 0 3 317.433 2.386 20 30 DEEDHN C=C(C)CCC(=O)NCCCNCC(=O)Nc1ccc(F)cc1 ZINC001159021644 798507189 /nfs/dbraw/zinc/50/71/89/798507189.db2.gz XCESJBLICXBNSY-UHFFFAOYSA-N 0 3 321.396 2.216 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCCNCc1conc1CC)OCC ZINC001159148162 798529001 /nfs/dbraw/zinc/52/90/01/798529001.db2.gz AZBJFXRVEUXMEM-INIZCTEOSA-N 0 3 323.437 2.204 20 30 DEEDHN Cc1nc(CNC2CCN(C(=O)C#CC(C)C)CC2)sc1C ZINC001200441135 798628740 /nfs/dbraw/zinc/62/87/40/798628740.db2.gz BEZRSFCKJWXAFJ-UHFFFAOYSA-N 0 3 319.474 2.500 20 30 DEEDHN CCn1ccnc1CNC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001200461801 798634293 /nfs/dbraw/zinc/63/42/93/798634293.db2.gz KSJSOZZNIMJIIJ-UHFFFAOYSA-N 0 3 316.449 2.033 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)CCCC[C@@H](C)CC)CCCO1 ZINC001200598508 798654939 /nfs/dbraw/zinc/65/49/39/798654939.db2.gz PWKIOHGDCUXKRS-IRXDYDNUSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCC1(C(=O)N2CCCO[C@H](CNC[C@@H](F)CC)C2)CCC1 ZINC001200680446 798665255 /nfs/dbraw/zinc/66/52/55/798665255.db2.gz PCINALNDPIHGDL-JKSUJKDBSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnc(Cl)n2C)CC1 ZINC001160694569 798723330 /nfs/dbraw/zinc/72/33/30/798723330.db2.gz NMODMXSLYQZHBV-UHFFFAOYSA-N 0 3 308.813 2.012 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001160768145 798737698 /nfs/dbraw/zinc/73/76/98/798737698.db2.gz QOWSKOXCNYQMLN-OAHLLOKOSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)c2cccs2)CCCO1 ZINC001201390736 798749933 /nfs/dbraw/zinc/74/99/33/798749933.db2.gz RXOORLMUKDJPPD-CABCVRRESA-N 0 3 320.458 2.082 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)C[C@@H](C)CC(C)(C)C)CCCO1 ZINC001201471267 798763818 /nfs/dbraw/zinc/76/38/18/798763818.db2.gz BDITXVYWIVKFJD-CVEARBPZSA-N 0 3 308.466 2.289 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)CC2CCCC2)CCCO1 ZINC001201546866 798767446 /nfs/dbraw/zinc/76/74/46/798767446.db2.gz NFSXHSONDIFXRW-AEFFLSMTSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@H](C)c2ccc(C)s2)CCCO1 ZINC001201856021 798801957 /nfs/dbraw/zinc/80/19/57/798801957.db2.gz HJGMVBQCZPRPHU-CABCVRRESA-N 0 3 320.458 2.000 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2cc(C)cc(C)c2)CCCO1 ZINC001201944194 798813684 /nfs/dbraw/zinc/81/36/84/798813684.db2.gz GXARUVBELKLSMO-SFHVURJKSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cc(CC)c(C)s2)CCCO1 ZINC001202014516 798817130 /nfs/dbraw/zinc/81/71/30/798817130.db2.gz VPVKUZAGUOCPGY-HNNXBMFYSA-N 0 3 320.458 2.073 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001202084901 798825615 /nfs/dbraw/zinc/82/56/15/798825615.db2.gz MKDPCTHHULVTJX-UKRRQHHQSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC001202130628 798830685 /nfs/dbraw/zinc/83/06/85/798830685.db2.gz OFCCESDYJRCFOB-HNNXBMFYSA-N 0 3 316.449 2.468 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H]2CC3CCC2CC3)CCCO1 ZINC001202173412 798836079 /nfs/dbraw/zinc/83/60/79/798836079.db2.gz IQMNDUGIFTXQME-FOIPXRHGSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCCC2(C)C)CCCO1 ZINC001202182590 798837110 /nfs/dbraw/zinc/83/71/10/798837110.db2.gz GPNODSXCQCZYFV-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2coc(CCC)n2)CC1 ZINC001161695357 798913864 /nfs/dbraw/zinc/91/38/64/798913864.db2.gz ZNGTURVJPVAULG-UHFFFAOYSA-N 0 3 315.417 2.402 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](C)c2cccnc2)CC1 ZINC001161729202 798924201 /nfs/dbraw/zinc/92/42/01/798924201.db2.gz NYDJIQNVHHCIII-INIZCTEOSA-N 0 3 311.429 2.347 20 30 DEEDHN C#CCN1CCC(CNC(=O)C(C)(C)C(C)C)(COC)CC1 ZINC001162283347 799049543 /nfs/dbraw/zinc/04/95/43/799049543.db2.gz XRQWSWXEKARIQT-UHFFFAOYSA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)(COC)CC1 ZINC001162351215 799068546 /nfs/dbraw/zinc/06/85/46/799068546.db2.gz KLPMWBMZYFWWLU-HZPDHXFCSA-N 0 3 320.477 2.147 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CC[C@@H](C)C2)(COC)CC1 ZINC001162520787 799108577 /nfs/dbraw/zinc/10/85/77/799108577.db2.gz HCAFSCODHHDYCP-SJORKVTESA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)(COC)CC1 ZINC001162564159 799118050 /nfs/dbraw/zinc/11/80/50/799118050.db2.gz WDDAOVPARZUDRA-WMZOPIPTSA-N 0 3 320.477 2.147 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)CCC(F)F)c(F)c1 ZINC001162642502 799136828 /nfs/dbraw/zinc/13/68/28/799136828.db2.gz ZDIATWCWXHDKID-UHFFFAOYSA-N 0 3 313.323 2.339 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)CCCOC ZINC001162714934 799155012 /nfs/dbraw/zinc/15/50/12/799155012.db2.gz 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/nfs/dbraw/zinc/59/27/88/799592788.db2.gz FFHWADHAIOWEJG-OWYFMNJBSA-N 0 3 310.413 2.049 20 30 DEEDHN O=C(C#CC1CC1)NCCC1(CNCc2ccc(F)cn2)CC1 ZINC001164486997 799607890 /nfs/dbraw/zinc/60/78/90/799607890.db2.gz DXYHWZNKUUAHDN-UHFFFAOYSA-N 0 3 315.392 2.010 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3nccc13)C2 ZINC001095686458 799695389 /nfs/dbraw/zinc/69/53/89/799695389.db2.gz KKYMVLVVEAQKQE-KMFMINBZSA-N 0 3 310.401 2.246 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001165594283 799749391 /nfs/dbraw/zinc/74/93/91/799749391.db2.gz YEKFUIBYWQOIOR-CHWSQXEVSA-N 0 3 322.840 2.142 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001110918914 799760624 /nfs/dbraw/zinc/76/06/24/799760624.db2.gz VOMRMIWFYVVEMV-QXSJWSMHSA-N 0 3 306.450 2.347 20 30 DEEDHN C[C@@H]1CC[C@H](CC(=O)NCCCNCc2ccccc2C#N)O1 ZINC001165823603 799779266 /nfs/dbraw/zinc/77/92/66/799779266.db2.gz SNRCJMVFLOYJMO-RHSMWYFYSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001165929913 799797952 /nfs/dbraw/zinc/79/79/52/799797952.db2.gz QOCQXBSWYFJMKV-GOSISDBHSA-N 0 3 318.465 2.418 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](CC)SC)CCO2 ZINC000949072659 799817657 /nfs/dbraw/zinc/81/76/57/799817657.db2.gz ZXHZZYXJJFPCRF-AWEZNQCLSA-N 0 3 312.479 2.007 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2ccn[nH]2)CCN1Cc1cccc(C#N)c1 ZINC000947080910 799838790 /nfs/dbraw/zinc/83/87/90/799838790.db2.gz QTAULEOVKFHGKP-CZUORRHYSA-N 0 3 323.400 2.064 20 30 DEEDHN COc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1C ZINC000932577381 799850098 /nfs/dbraw/zinc/85/00/98/799850098.db2.gz MIPFDSHZKOOLQP-UONOGXRCSA-N 0 3 303.406 2.415 20 30 DEEDHN CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CCCCC#N)C1 ZINC000932692708 799895710 /nfs/dbraw/zinc/89/57/10/799895710.db2.gz JRVKVXGKALGYBM-MRXNPFEDSA-N 0 3 311.426 2.032 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)C(C)(F)F ZINC001166852742 799965551 /nfs/dbraw/zinc/96/55/51/799965551.db2.gz VUWRVDWZPSVQIH-VIFPVBQESA-N 0 3 313.186 2.282 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCc1cccc(F)c1F ZINC001166982401 799996554 /nfs/dbraw/zinc/99/65/54/799996554.db2.gz NYZOEIKIDFNOMH-HIFRSBDPSA-N 0 3 324.371 2.152 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933073464 800006860 /nfs/dbraw/zinc/00/68/60/800006860.db2.gz QMNVWEBKRPRPGH-HOTGVXAUSA-N 0 3 303.402 2.274 20 30 DEEDHN C[C@H](C#N)OCCN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933241638 800048298 /nfs/dbraw/zinc/04/82/98/800048298.db2.gz NQZVGMSMEMONAV-MFKMUULPSA-N 0 3 302.296 2.257 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccccc2C#N)CC1 ZINC001204373446 800210534 /nfs/dbraw/zinc/21/05/34/800210534.db2.gz SVHMGFDXRPYYLQ-UHFFFAOYSA-N 0 3 324.472 2.350 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1c1cccc(F)c1 ZINC001205344598 800346043 /nfs/dbraw/zinc/34/60/43/800346043.db2.gz VCJWUKAAIKGUJQ-JKSUJKDBSA-N 0 3 320.383 2.481 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2CCOC[C@]2(C)C2CC2)cc1 ZINC000934475948 800367299 /nfs/dbraw/zinc/36/72/99/800367299.db2.gz 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/nfs/dbraw/zinc/65/84/67/800658467.db2.gz VXPKWJCRDBCTCZ-CQSZACIVSA-N 0 3 301.390 2.169 20 30 DEEDHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccc(=O)[nH]1)C2 ZINC001207068768 800672456 /nfs/dbraw/zinc/67/24/56/800672456.db2.gz OKEGMFGNRUZBEI-SJLPKXTDSA-N 0 3 318.417 2.361 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001207165238 800701689 /nfs/dbraw/zinc/70/16/89/800701689.db2.gz DWSURQMAGCLKAX-GDBMZVCRSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CCN(CCN1CC[C@H](O)[C@@H](F)CC1)C(=O)OC(C)(C)C ZINC001207199717 800707124 /nfs/dbraw/zinc/70/71/24/800707124.db2.gz RFKWTNUGLPYFQB-KBPBESRZSA-N 0 3 316.417 2.204 20 30 DEEDHN N#CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCSCC1 ZINC000935662779 800726346 /nfs/dbraw/zinc/72/63/46/800726346.db2.gz KEDXKWWORZQBBY-AWEZNQCLSA-N 0 3 307.463 2.156 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001207659729 800800545 /nfs/dbraw/zinc/80/05/45/800800545.db2.gz KIZAUDWJZFTRBL-BZUAXINKSA-N 0 3 304.438 2.093 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC001208255761 800941547 /nfs/dbraw/zinc/94/15/47/800941547.db2.gz QKIFOSFEDYGUIT-MRXNPFEDSA-N 0 3 304.438 2.165 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001208482300 800992964 /nfs/dbraw/zinc/99/29/64/800992964.db2.gz AWNHMKHAFXILLI-FRRDWIJNSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2C)CCC1 ZINC001208505884 800997607 /nfs/dbraw/zinc/99/76/07/800997607.db2.gz BLJYUVVCZUKXAV-HZPDHXFCSA-N 0 3 316.449 2.066 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208511888 800999867 /nfs/dbraw/zinc/99/98/67/800999867.db2.gz NFSSNUICOBMJLQ-QGPMSJSTSA-N 0 3 318.465 2.001 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](N[C@H](C)C(=O)NCCC)C1 ZINC001208920005 801093216 /nfs/dbraw/zinc/09/32/16/801093216.db2.gz ZVSQOZGVKGNMFV-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCCCC)C1 ZINC001208962825 801103521 /nfs/dbraw/zinc/10/35/21/801103521.db2.gz QGNKUKHMQTZDCP-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CN1CCC[C@@H](C#N)CC1 ZINC001208982655 801106438 /nfs/dbraw/zinc/10/64/38/801106438.db2.gz SIKAEZSFHFYPSF-CABCVRRESA-N 0 3 323.437 2.248 20 30 DEEDHN C#CCCCN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001209263384 801162314 /nfs/dbraw/zinc/16/23/14/801162314.db2.gz KJEMUOBGFRXXMS-OKZBNKHCSA-N 0 3 300.402 2.243 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001209346092 801173193 /nfs/dbraw/zinc/17/31/93/801173193.db2.gz PQSWOFILEBQIST-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NCC(=O)NCC(C)(C)C)C1 ZINC001209373999 801178555 /nfs/dbraw/zinc/17/85/55/801178555.db2.gz IIRIANYJTSNUNS-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001209388887 801181008 /nfs/dbraw/zinc/18/10/08/801181008.db2.gz BSACCDQJKKNRGP-ZMSDIMECSA-N 0 3 320.433 2.097 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NCC(=O)N(CC)CC)C1 ZINC001209454338 801193747 /nfs/dbraw/zinc/19/37/47/801193747.db2.gz KRJNJMZYWPHEKQ-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1(SC)CCCCC1 ZINC001229292091 801251785 /nfs/dbraw/zinc/25/17/85/801251785.db2.gz NXGGENQDPBSLBL-UHFFFAOYSA-N 0 3 311.495 2.307 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001230659521 801453835 /nfs/dbraw/zinc/45/38/35/801453835.db2.gz WMYIQQKPUVJQDH-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H](NC[C@@H](F)CC)C2)nc1 ZINC001210728124 801453882 /nfs/dbraw/zinc/45/38/82/801453882.db2.gz IZLGWSIJWFEIFW-GJZGRUSLSA-N 0 3 303.381 2.005 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@H]1CCCO1)Cc1cccnc1 ZINC001230662920 801454347 /nfs/dbraw/zinc/45/43/47/801454347.db2.gz VQBPEAXUCGRZSO-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)COc2ccccc2CC)C1 ZINC001210768965 801461200 /nfs/dbraw/zinc/46/12/00/801461200.db2.gz QPVYCPYOTSWPLJ-NVXWUHKLSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCN(CCCNC(=O)c1ccn(C)c1)Cc1cccnc1 ZINC001230732031 801477493 /nfs/dbraw/zinc/47/74/93/801477493.db2.gz VXOMEPAYHZRKNX-UHFFFAOYSA-N 0 3 324.428 2.066 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1OC ZINC001213271348 801587766 /nfs/dbraw/zinc/58/77/66/801587766.db2.gz UVPNKAUHKJGXGC-CHWSQXEVSA-N 0 3 316.392 2.059 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1OC ZINC001213357305 801599520 /nfs/dbraw/zinc/59/95/20/801599520.db2.gz NZZRWBWYHBQKBF-HUUCEWRRSA-N 0 3 300.418 2.298 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2occc2Cl)[C@H](OC)C1 ZINC001213390066 801602326 /nfs/dbraw/zinc/60/23/26/801602326.db2.gz PRIIYCMIWHFICR-CHWSQXEVSA-N 0 3 312.797 2.328 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2nc(C)oc2C)[C@H](OC)C1 ZINC001213611739 801628351 /nfs/dbraw/zinc/62/83/51/801628351.db2.gz JTJBSUDVEWFLPR-NILFDRSVSA-N 0 3 321.421 2.075 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001231616852 801696891 /nfs/dbraw/zinc/69/68/91/801696891.db2.gz MBZSHBLMQMXSKJ-OAHLLOKOSA-N 0 3 300.383 2.341 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2ccccc2)C1 ZINC001214302254 801701542 /nfs/dbraw/zinc/70/15/42/801701542.db2.gz YHJACOPYQORVSH-GDBMZVCRSA-N 0 3 315.417 2.028 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001214403716 801711999 /nfs/dbraw/zinc/71/19/99/801711999.db2.gz ZXIOFLJILMKGHQ-UKRRQHHQSA-N 0 3 323.462 2.062 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1 ZINC001214706828 801749636 /nfs/dbraw/zinc/74/96/36/801749636.db2.gz ATFSEEUTJLXXMA-RHSMWYFYSA-N 0 3 316.449 2.125 20 30 DEEDHN CC(C)(O)CCN1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232117548 801796762 /nfs/dbraw/zinc/79/67/62/801796762.db2.gz AJYAONIZPANVLN-UHFFFAOYSA-N 0 3 321.852 2.490 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3cccc(F)c3)[C@H]2C1 ZINC001217206434 802054387 /nfs/dbraw/zinc/05/43/87/802054387.db2.gz GCNMYFXCYUVCGB-DLBZAZTESA-N 0 3 318.392 2.317 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CSCCC)[C@H]2C1 ZINC001217398855 802074770 /nfs/dbraw/zinc/07/47/70/802074770.db2.gz AGLRTNVCYCIDMU-LSDHHAIUSA-N 0 3 312.479 2.007 20 30 DEEDHN C=CCOCC(=O)N1CCO[C@@H]2CN(CCCCCCC)C[C@@H]21 ZINC001217523316 802083458 /nfs/dbraw/zinc/08/34/58/802083458.db2.gz SVPCCVRUYUKYIV-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)c3coc(C)c3)[C@H]2C1 ZINC001217704185 802102659 /nfs/dbraw/zinc/10/26/59/802102659.db2.gz MCWQJEYRSFYRCD-RRQGHBQHSA-N 0 3 318.417 2.468 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](C)CC(F)F)[C@H]2C1 ZINC001218313161 802166625 /nfs/dbraw/zinc/16/66/25/802166625.db2.gz MSXACQDQRJJNIM-HZSPNIEDSA-N 0 3 316.392 2.156 20 30 DEEDHN CC/C=C\CCN1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001233692501 802184064 /nfs/dbraw/zinc/18/40/64/802184064.db2.gz GWKHLVYXYKKMHM-XVWMLYKFSA-N 0 3 300.406 2.389 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCCC#CC)[C@H]2C1 ZINC001218503207 802193548 /nfs/dbraw/zinc/19/35/48/802193548.db2.gz DUYKQTIRUXWJRX-DLBZAZTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001233938196 802246446 /nfs/dbraw/zinc/24/64/46/802246446.db2.gz UARQXRQHLOWGAY-PKOBYXMFSA-N 0 3 316.445 2.089 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@@H](N)CC(F)F)c(OC(F)(F)F)c1 ZINC001218839886 802248127 /nfs/dbraw/zinc/24/81/27/802248127.db2.gz HOJWLSDBFZMFHN-ZETCQYMHSA-N 0 3 323.221 2.378 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)C1 ZINC001219123067 802286283 /nfs/dbraw/zinc/28/62/83/802286283.db2.gz ORAKAEYSVFMKGZ-SJORKVTESA-N 0 3 320.408 2.347 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(C)oc2C)[C@@H](O)C1 ZINC001219175745 802294290 /nfs/dbraw/zinc/29/42/90/802294290.db2.gz SUCWSJNEXCQFES-XZJROXQQSA-N 0 3 306.406 2.026 20 30 DEEDHN N#Cc1cc(O)cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001234146588 802309263 /nfs/dbraw/zinc/30/92/63/802309263.db2.gz DFYRNKZXZWNEPX-FZNQNYSPSA-N 0 3 302.374 2.286 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@@H]2CCCc3ccccc32)C[C@@H]1O ZINC001219346703 802314225 /nfs/dbraw/zinc/31/42/25/802314225.db2.gz SPGOHVVKNRUJRF-KURKYZTESA-N 0 3 314.429 2.192 20 30 DEEDHN CO[C@H](CN1CC[C@@H]1CN(C)C(=O)C#CC(C)C)C1CCCC1 ZINC001234160724 802314237 /nfs/dbraw/zinc/31/42/37/802314237.db2.gz JCMCHCPFPDOYCO-QZTJIDSGSA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC(F)(F)F)[C@@H](O)C1 ZINC001219423665 802326254 /nfs/dbraw/zinc/32/62/54/802326254.db2.gz WLOJCWHSMKXWKB-OLZOCXBDSA-N 0 3 322.371 2.237 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2c(C)coc2C)[C@@H](O)C1 ZINC001219551282 802345542 /nfs/dbraw/zinc/34/55/42/802345542.db2.gz WKEWFRDAJMCNSX-YUELXQCFSA-N 0 3 306.406 2.026 20 30 DEEDHN COc1cc(/C=C\C(C)=O)ccc1OCCN1CC[C@@H](OC)C1 ZINC001234338951 802356808 /nfs/dbraw/zinc/35/68/08/802356808.db2.gz LEGKFZUWCSSFDD-YIEVGGLXSA-N 0 3 319.401 2.397 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 ZINC001219851375 802383109 /nfs/dbraw/zinc/38/31/09/802383109.db2.gz NMUTTZVFXMAHPS-CVEARBPZSA-N 0 3 308.466 2.308 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001234527118 802403364 /nfs/dbraw/zinc/40/33/64/802403364.db2.gz LWGJUQXFWRCQQW-NVXWUHKLSA-N 0 3 318.465 2.327 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220184903 802421377 /nfs/dbraw/zinc/42/13/77/802421377.db2.gz WMTNYDJXZUSCEI-DGEHHSODSA-N 0 3 306.450 2.088 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC/C=C/CCC)C[C@@H]2O)C1 ZINC001220314750 802444127 /nfs/dbraw/zinc/44/41/27/802444127.db2.gz FPMOYVDLRFFLNZ-ZWOPJXCPSA-N 0 3 306.450 2.250 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001220767052 802495836 /nfs/dbraw/zinc/49/58/36/802495836.db2.gz LVFMOIWPYYKEPI-BMFZPTHFSA-N 0 3 320.433 2.280 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)[C@@H](O)C1 ZINC001220855985 802505551 /nfs/dbraw/zinc/50/55/51/802505551.db2.gz WZXWWXYNKTZYJD-NEPJUHHUSA-N 0 3 322.371 2.093 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC001220886304 802508072 /nfs/dbraw/zinc/50/80/72/802508072.db2.gz YIZQXQLWXMQVKM-CVEARBPZSA-N 0 3 322.836 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/nfs/dbraw/zinc/72/27/90/802722790.db2.gz VHQIDYRNRLEGHD-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)OCCCCCC)CC1 ZINC001223164777 802769902 /nfs/dbraw/zinc/76/99/02/802769902.db2.gz RUSRJZXNTYKPKV-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001223437142 802790493 /nfs/dbraw/zinc/79/04/93/802790493.db2.gz RJTWTMMYXAGUSS-DLBZAZTESA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC001223686651 802807989 /nfs/dbraw/zinc/80/79/89/802807989.db2.gz HNSKVUDEYWZZAR-SVFBPWRDSA-N 0 3 322.452 2.424 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(Cl)s2)CC1 ZINC001224778416 802902862 /nfs/dbraw/zinc/90/28/62/802902862.db2.gz GKNQDGWMUNNRHB-UHFFFAOYSA-N 0 3 310.850 2.405 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(C#N)c3)C[C@H]1N2C ZINC001225224712 802945622 /nfs/dbraw/zinc/94/56/22/802945622.db2.gz CMBSZAYIOAFHSL-QMCVQRASSA-N 0 3 300.358 2.104 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2ccc(OC)cc2)CC1 ZINC001225348814 802957693 /nfs/dbraw/zinc/95/76/93/802957693.db2.gz KTRKHCGSOYFPRY-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2cc3ccccc3n2C)CC1 ZINC001225604081 802989458 /nfs/dbraw/zinc/98/94/58/802989458.db2.gz UAZXRUBCRWEBNS-UHFFFAOYSA-N 0 3 323.440 2.182 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccncn1 ZINC001226514661 803118491 /nfs/dbraw/zinc/11/84/91/803118491.db2.gz VSNGJIXLDBANBV-HUUCEWRRSA-N 0 3 322.840 2.179 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NCCF)OCC ZINC001226554278 803123632 /nfs/dbraw/zinc/12/36/32/803123632.db2.gz NMGWFJVTDNZEAR-RBSFLKMASA-N 0 3 300.418 2.344 20 30 DEEDHN Cc1cc(F)ccc1CN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226640055 803135120 /nfs/dbraw/zinc/13/51/20/803135120.db2.gz KNHHCZMSEXKXSN-CYBMUJFWSA-N 0 3 303.381 2.374 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC001226640216 803135426 /nfs/dbraw/zinc/13/54/26/803135426.db2.gz KYQXMXWLRRHYOY-QWRGUYRKSA-N 0 3 318.248 2.311 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(COC)CC1 ZINC001227475097 803245253 /nfs/dbraw/zinc/24/52/53/803245253.db2.gz QUOLYBVMHHAHAR-CHWSQXEVSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CC(C)(C)C(=O)NC1CCN(CCn2nc(C)cc2C)CC1 ZINC001228631061 803383490 /nfs/dbraw/zinc/38/34/90/803383490.db2.gz BABKVENMVDYOCA-UHFFFAOYSA-N 0 3 318.465 2.293 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001228810576 803417023 /nfs/dbraw/zinc/41/70/23/803417023.db2.gz XFJMUTAAPHQWTH-OAHLLOKOSA-N 0 3 318.465 2.146 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1ccc(C)c2ccccc12 ZINC001331149394 1149388084 /nfs/dbraw/zinc/38/80/84/1149388084.db2.gz IVBQEHSSHOUNTD-UHFFFAOYSA-N 0 3 324.424 2.460 20 30 DEEDHN N#Cc1cccc(OCCCn2cc(CNCC3CC3)nn2)c1 ZINC001331242868 1149402328 /nfs/dbraw/zinc/40/23/28/1149402328.db2.gz VIZYOSHPXGYLEH-UHFFFAOYSA-N 0 3 311.389 2.118 20 30 DEEDHN CCC(=O)N(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC001331418843 1149439402 /nfs/dbraw/zinc/43/94/02/1149439402.db2.gz HVRSZDJZECWRMG-HNNXBMFYSA-N 0 3 316.405 2.409 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CYWAGOUQNNREQM-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN COc1cc(OC)cc([C@H](O)CNCC#Cc2ccccc2)c1 ZINC001342946449 1150632526 /nfs/dbraw/zinc/63/25/26/1150632526.db2.gz FMSAVOSWJPUNKA-LJQANCHMSA-N 0 3 311.381 2.379 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](CO)N[C@H]1CCc2ccc(F)cc21 ZINC001331725995 1149637057 /nfs/dbraw/zinc/63/70/57/1149637057.db2.gz RDIFEGWWRFZTQQ-RDJZCZTQSA-N 0 3 320.408 2.236 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@@H]1CCc2ccc(F)cc21 ZINC001331725994 1149638968 /nfs/dbraw/zinc/63/89/68/1149638968.db2.gz RDIFEGWWRFZTQQ-NVXWUHKLSA-N 0 3 320.408 2.236 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)N[C@@H](C)c2cccc(C)c2)C1 ZINC001331788149 1149682241 /nfs/dbraw/zinc/68/22/41/1149682241.db2.gz QLOYSYFDLWBHJF-DOTOQJQBSA-N 0 3 316.445 2.479 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1ccc(OC(F)F)cn1 ZINC001344322714 1150816759 /nfs/dbraw/zinc/81/67/59/1150816759.db2.gz WGJNCVOQDBVZGN-JTQLQIEISA-N 0 3 306.272 2.389 20 30 DEEDHN C=C(C)CN(CC)c1nnc([C@H]2CCCN(C)C2)n1CCOC ZINC001344963644 1150855123 /nfs/dbraw/zinc/85/51/23/1150855123.db2.gz RNKCVNACPWKDIA-HNNXBMFYSA-N 0 3 321.469 2.136 20 30 DEEDHN C[NH+]1CCC2(CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)CC1 ZINC001598590434 993434511 /nfs/dbraw/zinc/43/45/11/993434511.db2.gz VVVHNMVPTPTNHW-UHFFFAOYSA-N 0 3 313.401 2.174 20 30 DEEDHN CC(=O)c1cc(C#N)ccc1NC(=O)[C@H](CN)c1ccccc1 ZINC001575031036 1069337402 /nfs/dbraw/zinc/33/74/02/1069337402.db2.gz IDHARPBNTXRNQZ-MRXNPFEDSA-N 0 3 307.353 2.442 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C(=O)Nc1ccc(C)cc1 ZINC001328452099 1148795699 /nfs/dbraw/zinc/79/56/99/1148795699.db2.gz RPMLEWQIXJWALV-ZDUSSCGKSA-N 0 3 323.824 2.170 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001523247946 1069606286 /nfs/dbraw/zinc/60/62/86/1069606286.db2.gz NCVGFCRNFPPPHS-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)C3(CCF)CC3)CC2)C1 ZINC001328491670 1148802390 /nfs/dbraw/zinc/80/23/90/1148802390.db2.gz GTOQNRSHURKWJA-UHFFFAOYSA-N 0 3 324.440 2.396 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cc2ccc(F)cn2)C1 ZINC001368493369 1148466659 /nfs/dbraw/zinc/46/66/59/1148466659.db2.gz CJVKGFDMELQIMI-VDISTLRHSA-N 0 3 311.788 2.000 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001368515124 1148472765 /nfs/dbraw/zinc/47/27/65/1148472765.db2.gz LDXFEVSMGYDHJF-XJKSGUPXSA-N 0 3 303.381 2.456 20 30 DEEDHN COc1cc2ccccc2cc1CNCCn1cnc(C#N)n1 ZINC001621320770 1070115890 /nfs/dbraw/zinc/11/58/90/1070115890.db2.gz JVQNGRLFFMETRZ-UHFFFAOYSA-N 0 3 307.357 2.101 20 30 DEEDHN C=CCCC(=O)NCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001527485102 1070490769 /nfs/dbraw/zinc/49/07/69/1070490769.db2.gz RZVZLTXWBYBCIL-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN CC(C)CCOCCN(C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001328720382 1148828190 /nfs/dbraw/zinc/82/81/90/1148828190.db2.gz OGTCVDZCVZEKQL-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001605283105 1070670742 /nfs/dbraw/zinc/67/07/42/1070670742.db2.gz DTQWGTTUQNIMSE-WCQYABFASA-N 0 3 312.377 2.047 20 30 DEEDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001605283105 1070670746 /nfs/dbraw/zinc/67/07/46/1070670746.db2.gz DTQWGTTUQNIMSE-WCQYABFASA-N 0 3 312.377 2.047 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN(CC)C(=O)CN1CCC[C@@H]1C ZINC001528853617 1070775154 /nfs/dbraw/zinc/77/51/54/1070775154.db2.gz ZBFHADKDNFMFME-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCC(=O)NCC1(NC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001532382825 1071652276 /nfs/dbraw/zinc/65/22/76/1071652276.db2.gz LXGUFTOZVCUUEP-MRXNPFEDSA-N 0 3 323.481 2.084 20 30 DEEDHN CCC#C[C@H](C)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC001459316151 1058146402 /nfs/dbraw/zinc/14/64/02/1058146402.db2.gz UVHLXIHMBZMGDB-INIZCTEOSA-N 0 3 308.466 2.432 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1csc(-c2cnn(C)c2)n1 ZINC001460029824 1058251450 /nfs/dbraw/zinc/25/14/50/1058251450.db2.gz DDGXUCRUVLFOHZ-UHFFFAOYSA-N 0 3 319.478 2.483 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@H](CNCC#N)C1CCCC1 ZINC001500114537 1058500389 /nfs/dbraw/zinc/50/03/89/1058500389.db2.gz IWZHQPBAEYWOBA-IAGOWNOFSA-N 0 3 320.481 2.037 20 30 DEEDHN Cc1ccc(CNCCNc2ccc(C#N)cn2)cc1[N+](=O)[O-] ZINC001461032359 1058576549 /nfs/dbraw/zinc/57/65/49/1058576549.db2.gz WZGWFOGCZIIMJQ-UHFFFAOYSA-N 0 3 311.345 2.372 20 30 DEEDHN Cc1cccc(OCCN2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)c1 ZINC001500197917 1058579963 /nfs/dbraw/zinc/57/99/63/1058579963.db2.gz NLSRXDYYOYAKKN-CRAIPNDOSA-N 0 3 315.417 2.114 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001500293182 1058669627 /nfs/dbraw/zinc/66/96/27/1058669627.db2.gz RTPFDDVEOXHIPI-IEBWSBKVSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)c2cnn[n-]2)C1 ZINC001500504888 1058863080 /nfs/dbraw/zinc/86/30/80/1058863080.db2.gz DZDHMTOWTZMKFF-QGZVFWFLSA-N 0 3 319.453 2.383 20 30 DEEDHN C=CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cnn[n-]2)C1 ZINC001500504888 1058863099 /nfs/dbraw/zinc/86/30/99/1058863099.db2.gz DZDHMTOWTZMKFF-QGZVFWFLSA-N 0 3 319.453 2.383 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001500530558 1058900248 /nfs/dbraw/zinc/90/02/48/1058900248.db2.gz WFGSQSKRRZAUMO-INIZCTEOSA-N 0 3 324.856 2.400 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001500617141 1058968013 /nfs/dbraw/zinc/96/80/13/1058968013.db2.gz QQXJZPCOJOEQDF-CYBMUJFWSA-N 0 3 318.408 2.045 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)CCCc2ccccc2)C1 ZINC001500718186 1059037088 /nfs/dbraw/zinc/03/70/88/1059037088.db2.gz OPYLURKQAPFPMC-LJQANCHMSA-N 0 3 316.445 2.138 20 30 DEEDHN C=CCCC(=O)NC[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001500768239 1059078605 /nfs/dbraw/zinc/07/86/05/1059078605.db2.gz ONZQPFWDNPQBII-OAHLLOKOSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1nn(C)c2ccccc12 ZINC001467728556 1059694342 /nfs/dbraw/zinc/69/43/42/1059694342.db2.gz LAFJISSSVXFYFW-UHFFFAOYSA-N 0 3 300.406 2.153 20 30 DEEDHN C#CCCCCC(=O)NCC1(NCc2cn(C)nc2C)CCC1 ZINC001501939057 1059791666 /nfs/dbraw/zinc/79/16/66/1059791666.db2.gz ICNKSHGHAKAMHL-UHFFFAOYSA-N 0 3 316.449 2.051 20 30 DEEDHN C#CCNC1(CNC(=O)c2ccc(OC3CCC3)cc2)CCC1 ZINC001502027914 1059881392 /nfs/dbraw/zinc/88/13/92/1059881392.db2.gz QANABUNXWPFQTH-UHFFFAOYSA-N 0 3 312.413 2.493 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001369169503 1148860035 /nfs/dbraw/zinc/86/00/35/1148860035.db2.gz COIRZMDWHMVQSA-NOLJZWGESA-N 0 3 320.820 2.227 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)CCO1 ZINC001502094598 1059924346 /nfs/dbraw/zinc/92/43/46/1059924346.db2.gz KBYOJPVSCSBSAQ-GOSISDBHSA-N 0 3 312.413 2.018 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001502380174 1060087118 /nfs/dbraw/zinc/08/71/18/1060087118.db2.gz DQINOAUVGOAMIB-INIZCTEOSA-N 0 3 320.433 2.122 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)CCc1cccs1 ZINC001502396723 1060106812 /nfs/dbraw/zinc/10/68/12/1060106812.db2.gz CKSZELSPSPKQTM-UHFFFAOYSA-N 0 3 322.474 2.111 20 30 DEEDHN C=CCCC(=O)N1CCC(CC)(NCc2ncnn2CC)CC1 ZINC001502483485 1060147993 /nfs/dbraw/zinc/14/79/93/1060147993.db2.gz YBEFPOQBWKHUQA-UHFFFAOYSA-N 0 3 319.453 2.125 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NCc2ccnc(OC)c2)[C@@H](C)C1 ZINC001502719762 1060246769 /nfs/dbraw/zinc/24/67/69/1060246769.db2.gz VTVSNKBUSKTCFZ-HOCLYGCPSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@@H]1CN(C)CC=C ZINC001505455503 1060624696 /nfs/dbraw/zinc/62/46/96/1060624696.db2.gz BUMMZGLGTGPLIP-OAHLLOKOSA-N 0 3 315.417 2.369 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@@H](C)SC)C1 ZINC001505482750 1060649726 /nfs/dbraw/zinc/64/97/26/1060649726.db2.gz QREFBBRXSFSFJV-KPPDAEKUSA-N 0 3 321.284 2.131 20 30 DEEDHN C=CCOCCN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC001473521150 1060693065 /nfs/dbraw/zinc/69/30/65/1060693065.db2.gz KWLACHKJSKWTQV-QGZVFWFLSA-N 0 3 307.390 2.266 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cccn1C ZINC001505561052 1060712517 /nfs/dbraw/zinc/71/25/17/1060712517.db2.gz HPFXNMUTMYVQFY-NEPJUHHUSA-N 0 3 316.430 2.255 20 30 DEEDHN COCCCCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001505573563 1060726699 /nfs/dbraw/zinc/72/66/99/1060726699.db2.gz CGVJNFVYRJGHRA-SJORKVTESA-N 0 3 316.445 2.338 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cnc(OC)nc1C ZINC001505614152 1060777928 /nfs/dbraw/zinc/77/79/28/1060777928.db2.gz PAGWAPFRNCMDDB-QWHCGFSZSA-N 0 3 320.437 2.133 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)n1 ZINC001474191462 1060829744 /nfs/dbraw/zinc/82/97/44/1060829744.db2.gz SLXDYSRVUPOCMW-CABCVRRESA-N 0 3 315.417 2.345 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(C(C)C)n2)C1 ZINC001505685906 1060863472 /nfs/dbraw/zinc/86/34/72/1060863472.db2.gz JSIDAAUZNKICNB-STQMWFEESA-N 0 3 319.453 2.267 20 30 DEEDHN CCc1n[nH]cc1C(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC001329072392 1148862753 /nfs/dbraw/zinc/86/27/53/1148862753.db2.gz BSQICTRGGJMGTN-HUUCEWRRSA-N 0 3 324.428 2.120 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccnnc1C ZINC001479227436 1061301850 /nfs/dbraw/zinc/30/18/50/1061301850.db2.gz YFMZPNBYCROQRT-DZGCQCFKSA-N 0 3 302.422 2.286 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)Cc1ccc(OC)cc1 ZINC001479264948 1061346124 /nfs/dbraw/zinc/34/61/24/1061346124.db2.gz SPWSJHWTMFPONR-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1ccnc1 ZINC001479525396 1061492377 /nfs/dbraw/zinc/49/23/77/1061492377.db2.gz MAOLQWFAVIWMGH-DZGCQCFKSA-N 0 3 324.856 2.242 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCOCC)C(C)(C)[C@H]21 ZINC001479614863 1061524517 /nfs/dbraw/zinc/52/45/17/1061524517.db2.gz WZBRDJRIKNVULJ-OIISXLGYSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC001479659467 1061575934 /nfs/dbraw/zinc/57/59/34/1061575934.db2.gz KUKWUWUJTUNIAF-ZDUSSCGKSA-N 0 3 324.371 2.050 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCCCC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001479689071 1061603343 /nfs/dbraw/zinc/60/33/43/1061603343.db2.gz XSSTZIADHKPUEU-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)COc2cc(C)ccc2C)[C@H]1C ZINC001479728083 1061648556 /nfs/dbraw/zinc/64/85/56/1061648556.db2.gz YEPJOQWJFHFYDM-SJORKVTESA-N 0 3 314.429 2.285 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001479732934 1061657048 /nfs/dbraw/zinc/65/70/48/1061657048.db2.gz ASTHQNNNFUPEHU-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cccn2ccnc12 ZINC001479737492 1061664147 /nfs/dbraw/zinc/66/41/47/1061664147.db2.gz PLWXFXXWTBGLJR-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(OC)ccn1 ZINC001479739415 1061667671 /nfs/dbraw/zinc/66/76/71/1061667671.db2.gz ZBTHCYNXIHUQCQ-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCN(CCCNC(=O)c1cccc2cccnc21)C1CC1 ZINC001479873009 1061966075 /nfs/dbraw/zinc/96/60/75/1061966075.db2.gz SEABNMOLWGKQJB-UHFFFAOYSA-N 0 3 307.397 2.452 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@](C)(CNC(=O)CN(CC)CC)C1 ZINC001506563382 1062136108 /nfs/dbraw/zinc/13/61/08/1062136108.db2.gz CYYQJBRKNRXKHX-GOSISDBHSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001479985828 1062146426 /nfs/dbraw/zinc/14/64/26/1062146426.db2.gz XEUFMPWKGYESHV-NEPJUHHUSA-N 0 3 302.340 2.179 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC(F)(F)F ZINC001480096698 1062320862 /nfs/dbraw/zinc/32/08/62/1062320862.db2.gz HBLFLUXQHPGMEL-BETUJISGSA-N 0 3 320.355 2.207 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001480112779 1062341612 /nfs/dbraw/zinc/34/16/12/1062341612.db2.gz WUYASQOXQZILPU-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCOCCN1CCCC2(CN(C(=O)c3ccoc3)C2)C1 ZINC001506857077 1062437011 /nfs/dbraw/zinc/43/70/11/1062437011.db2.gz FTDYYNSOOWQCIZ-UHFFFAOYSA-N 0 3 304.390 2.020 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNCc2cc(O)ccc2Cl)C1 ZINC001506878762 1062460407 /nfs/dbraw/zinc/46/04/07/1062460407.db2.gz DYSQWSICZQYCHR-NQBHXWOUSA-N 0 3 321.808 2.190 20 30 DEEDHN C=C(Br)CNCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001506933948 1062547586 /nfs/dbraw/zinc/54/75/86/1062547586.db2.gz PYNIQDLEDCVLHU-ADEWGFFLSA-N 0 3 303.244 2.426 20 30 DEEDHN C=CCOCC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001480246762 1062521468 /nfs/dbraw/zinc/52/14/68/1062521468.db2.gz HVJSDHUXJOZQEE-INIZCTEOSA-N 0 3 320.408 2.357 20 30 DEEDHN CN(C(=O)C1CC1)[C@H](CNCc1cc(C#N)ccc1F)C1CC1 ZINC001506996146 1062647494 /nfs/dbraw/zinc/64/74/94/1062647494.db2.gz QCTZUTSGSOFXCA-QGZVFWFLSA-N 0 3 315.392 2.434 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC[C@@H](F)CC)nc1 ZINC001480364914 1062718355 /nfs/dbraw/zinc/71/83/55/1062718355.db2.gz JGKHTGWWELFQOW-HOTGVXAUSA-N 0 3 317.408 2.395 20 30 DEEDHN C[C@H](CN(C)C(=O)c1cccn1C)NCC#Cc1ccccc1 ZINC001507049100 1062733403 /nfs/dbraw/zinc/73/34/03/1062733403.db2.gz SXKIFPIJNIMUAX-MRXNPFEDSA-N 0 3 309.413 2.127 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2ccc(F)cc2)C1 ZINC001480386638 1062774171 /nfs/dbraw/zinc/77/41/71/1062774171.db2.gz KQXWNVLZYOZFIJ-GDBMZVCRSA-N 0 3 302.393 2.218 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCc2c(C)noc2C)C1 ZINC001480388394 1062776465 /nfs/dbraw/zinc/77/64/65/1062776465.db2.gz XEGDQUWZPUZJHP-CJNGLKHVSA-N 0 3 317.433 2.074 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)CCc1cccc(F)c1F ZINC001507163603 1062942048 /nfs/dbraw/zinc/94/20/48/1062942048.db2.gz HNBWDIZFHQDODR-CYBMUJFWSA-N 0 3 308.372 2.357 20 30 DEEDHN C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NCc1ccc(C#N)c(F)c1 ZINC001480505739 1062952503 /nfs/dbraw/zinc/95/25/03/1062952503.db2.gz MPCUWIRHZYAZFJ-CDHAZOANSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@H](CNC(=O)CC1(C)CC1)NCc1ccc(C#N)c(F)c1 ZINC001480506226 1062956570 /nfs/dbraw/zinc/95/65/70/1062956570.db2.gz RZXSGOPZZOULCN-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CO)N[C@H](C)c1ccccc1 ZINC001507208780 1062973094 /nfs/dbraw/zinc/97/30/94/1062973094.db2.gz VMWCEZLOEIGGGF-ZBFHGGJFSA-N 0 3 304.434 2.417 20 30 DEEDHN CCOCCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001507306703 1063068492 /nfs/dbraw/zinc/06/84/92/1063068492.db2.gz JRUKRHFTALXNQV-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(C2CC2)n(C)n1)C(C)C ZINC001507792272 1063423303 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C=C(C)CN1CCC[C@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001493159159 1063609250 /nfs/dbraw/zinc/60/92/50/1063609250.db2.gz BFGPWFCQQKAXRD-AWEZNQCLSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2c[nH]c(C#N)c2)c(F)c1 ZINC001508239720 1063626403 /nfs/dbraw/zinc/62/64/03/1063626403.db2.gz HHDYRUYZWPGKRD-UHFFFAOYSA-N 0 3 312.348 2.231 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001493200641 1063632915 /nfs/dbraw/zinc/63/29/15/1063632915.db2.gz ICWPIPHYCXLZIN-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)C2(CCOCC)CCCC2)C1 ZINC001493249164 1063670486 /nfs/dbraw/zinc/67/04/86/1063670486.db2.gz JBCTXXYVGBMEPO-KRWDZBQOSA-N 0 3 320.477 2.435 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)CC2CCC(OC)CC2)C1 ZINC001493272942 1063686147 /nfs/dbraw/zinc/68/61/47/1063686147.db2.gz ZPLUKPYTAFNQGB-AQFXKWCLSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN(CCNC(=O)c1ncccc1C(F)(F)F)C1CC1 ZINC001493439632 1063796529 /nfs/dbraw/zinc/79/65/29/1063796529.db2.gz ZLUSUBQAXUSQSY-UHFFFAOYSA-N 0 3 313.323 2.481 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](C)N(C)C(=O)CN1CCC(C)(C)C1 ZINC001508893555 1063897038 /nfs/dbraw/zinc/89/70/38/1063897038.db2.gz RVRCKRWYXDYQFB-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCCCC(=O)N(C)CCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001493679415 1063913779 /nfs/dbraw/zinc/91/37/79/1063913779.db2.gz PTFZFIKDJFQKHT-INIZCTEOSA-N 0 3 323.481 2.182 20 30 DEEDHN CC[C@@H](C(=O)N(C)CCNCC#CCOC)c1ccc(F)cc1 ZINC001493808579 1063970921 /nfs/dbraw/zinc/97/09/21/1063970921.db2.gz BGOQQUAFPBHGRD-QGZVFWFLSA-N 0 3 320.408 2.017 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001493931417 1064026450 /nfs/dbraw/zinc/02/64/50/1064026450.db2.gz RPOYMLIERRZFMZ-KBXCAEBGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(C[C@H](C)O)C2)CC1 ZINC001493959992 1064041896 /nfs/dbraw/zinc/04/18/96/1064041896.db2.gz JRHSMINVGHVWOE-RDJZCZTQSA-N 0 3 308.466 2.427 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)CCn1cnc2ccccc21 ZINC001567371233 1064167575 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1064206901 /nfs/dbraw/zinc/20/69/01/1064206901.db2.gz LKUJVCHTBLIMLZ-UHFFFAOYSA-N 0 3 314.389 2.165 20 30 DEEDHN C[C@H](NCCN(C)C(=O)CSCC#N)c1ccccc1F ZINC001567466690 1064212120 /nfs/dbraw/zinc/21/21/20/1064212120.db2.gz MMABVCPTYNNWSP-LBPRGKRZSA-N 0 3 309.410 2.191 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1cncc(-c2ccccc2)c1 ZINC001567504634 1064228467 /nfs/dbraw/zinc/22/84/67/1064228467.db2.gz QVSFSNZTHOGBJE-UHFFFAOYSA-N 0 3 307.397 2.434 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccc(CC(C)C)s1 ZINC001567509817 1064231066 /nfs/dbraw/zinc/23/10/66/1064231066.db2.gz WKSHQOYRIFBIHE-UHFFFAOYSA-N 0 3 322.474 2.258 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)c2ccccc2C)CC1 ZINC001567715440 1064373039 /nfs/dbraw/zinc/37/30/39/1064373039.db2.gz JZAILUKVVWKUGU-UHFFFAOYSA-N 0 3 315.461 2.261 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2csnn2)C1 ZINC001567766213 1064410311 /nfs/dbraw/zinc/41/03/11/1064410311.db2.gz YRFQXZBLACVNCY-CYBMUJFWSA-N 0 3 308.451 2.479 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C 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DEEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001567937491 1064542546 /nfs/dbraw/zinc/54/25/46/1064542546.db2.gz LVDJVEUCDPJRNG-SJORKVTESA-N 0 3 318.461 2.138 20 30 DEEDHN CCOCCC(=O)NC[C@@H](CC)NCC#Cc1ccc(F)cc1 ZINC001567953124 1064557509 /nfs/dbraw/zinc/55/75/09/1064557509.db2.gz QKJWYXUENPZKLJ-QGZVFWFLSA-N 0 3 320.408 2.088 20 30 DEEDHN CC(C)C#CC(=O)NC1(CNCc2cncc(F)c2)CCCC1 ZINC001567998409 1064586048 /nfs/dbraw/zinc/58/60/48/1064586048.db2.gz KRNLMKPVFAGVKW-UHFFFAOYSA-N 0 3 317.408 2.399 20 30 DEEDHN C#CC[NH2+]C[C@]1(NC(=O)c2ccccc2[O-])CCCC[C@@H]1C ZINC001568035475 1064608894 /nfs/dbraw/zinc/60/88/94/1064608894.db2.gz HDQTXUVTUICUNL-KBXCAEBGSA-N 0 3 300.402 2.294 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2cnc[n-]c2=O)CC1 ZINC001568106172 1064650040 /nfs/dbraw/zinc/65/00/40/1064650040.db2.gz NHKSTORCLWNWLU-IHRRRGAJSA-N 0 3 318.421 2.168 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001568130228 1064660926 /nfs/dbraw/zinc/66/09/26/1064660926.db2.gz UXGFRKNEHIJUSN-WMZOPIPTSA-N 0 3 320.477 2.291 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](CC)NCc2ncccc2C)cn1 ZINC001495092942 1064692281 /nfs/dbraw/zinc/69/22/81/1064692281.db2.gz MOSHGKJPTPKJKW-KRWDZBQOSA-N 0 3 322.412 2.065 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)CNCc2nccnc2C)CC1 ZINC001568190721 1064693762 /nfs/dbraw/zinc/69/37/62/1064693762.db2.gz OFXJDYUAYYFREJ-AWEZNQCLSA-N 0 3 316.449 2.373 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC001621067792 1078127038 /nfs/dbraw/zinc/12/70/38/1078127038.db2.gz UMOLKAHRICZDGL-CQSZACIVSA-N 0 3 307.388 2.218 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccncc1F)C1CC1 ZINC001495228878 1064775367 /nfs/dbraw/zinc/77/53/67/1064775367.db2.gz DJRKSCRHCAPMHU-HNNXBMFYSA-N 0 3 311.788 2.461 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1cnn2c1CCC2)C1CC1 ZINC001495251628 1064786277 /nfs/dbraw/zinc/78/62/77/1064786277.db2.gz JPUPWDZYDHSWLL-MRXNPFEDSA-N 0 3 322.840 2.070 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001568397652 1064836781 /nfs/dbraw/zinc/83/67/81/1064836781.db2.gz FTTSIBOOTSUXHF-CQSZACIVSA-N 0 3 324.856 2.374 20 30 DEEDHN C#Cc1cncc(C(=O)N2CCC(CCN(C)CCF)CC2)c1 ZINC001568438991 1064871979 /nfs/dbraw/zinc/87/19/79/1064871979.db2.gz CCDFRQIUMCYKFR-UHFFFAOYSA-N 0 3 317.408 2.207 20 30 DEEDHN CO[C@H](C)CC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001568444968 1064876269 /nfs/dbraw/zinc/87/62/69/1064876269.db2.gz FVTVHXGHZRSRLH-AEFFLSMTSA-N 0 3 316.445 2.194 20 30 DEEDHN C=C(C)CC[NH2+][C@@H](CNC(=O)c1cccc2n[n-]nc21)C(C)C ZINC001568451699 1064882621 /nfs/dbraw/zinc/88/26/21/1064882621.db2.gz VBAHJYKEGMIXCP-HNNXBMFYSA-N 0 3 315.421 2.268 20 30 DEEDHN C=CCN(CCc1ccco1)C[C@@H](O)CN(C)CC(F)(F)F ZINC001616684642 1078134290 /nfs/dbraw/zinc/13/42/90/1078134290.db2.gz SXMDQXNWKQAOSI-ZDUSSCGKSA-N 0 3 320.355 2.165 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccn(CC(F)(F)F)n1 ZINC001568485606 1064905053 /nfs/dbraw/zinc/90/50/53/1064905053.db2.gz CMOXPJCNAOQQRT-UHFFFAOYSA-N 0 3 318.343 2.025 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1c(Cl)nc2ccccn21 ZINC001568503488 1064919846 /nfs/dbraw/zinc/91/98/46/1064919846.db2.gz IALYOCFFDPNVCG-UHFFFAOYSA-N 0 3 306.797 2.178 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001495488771 1064940396 /nfs/dbraw/zinc/94/03/96/1064940396.db2.gz ONXWCTPKVSHCDD-DFGFTWQDSA-N 0 3 320.820 2.183 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)/C=C\c1ccc(C(=O)OC)o1 ZINC001568554079 1064961906 /nfs/dbraw/zinc/96/19/06/1064961906.db2.gz HYOATYKDUXBGQQ-NTMALXAHSA-N 0 3 320.389 2.046 20 30 DEEDHN CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1cnc[n-]c1=O ZINC001495561278 1064982879 /nfs/dbraw/zinc/98/28/79/1064982879.db2.gz KUBRSEDVVKSHCV-CQSZACIVSA-N 0 3 320.437 2.347 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(OC(F)F)nc1 ZINC001618822579 1078159151 /nfs/dbraw/zinc/15/91/51/1078159151.db2.gz PEVLSUKFOIWSPF-UHFFFAOYSA-N 0 3 313.348 2.263 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1ccn(C)c1 ZINC001568735533 1065086518 /nfs/dbraw/zinc/08/65/18/1065086518.db2.gz YHYHAIMBQNVGJZ-UHFFFAOYSA-N 0 3 310.401 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/nfs/dbraw/zinc/60/06/62/1078600662.db2.gz YGHKPCXPLNHILX-MRXNPFEDSA-N 0 3 304.438 2.069 20 30 DEEDHN C[C@@H](CN(C)C(=O)c1ccc[nH]1)NCc1ccc(C#N)c(F)c1 ZINC001369230015 1148875326 /nfs/dbraw/zinc/87/53/26/1148875326.db2.gz QRFBFRHZKXVNHK-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CC(CNCc2cnc(C)cn2)C1 ZINC001570570844 1068012521 /nfs/dbraw/zinc/01/25/21/1068012521.db2.gz QMVLZPSRJVCIIU-FHERZECASA-N 0 3 316.449 2.372 20 30 DEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1ccncc1 ZINC001570585469 1068021926 /nfs/dbraw/zinc/02/19/26/1068021926.db2.gz VYZRNOFYTBIPSC-CVEARBPZSA-N 0 3 307.397 2.230 20 30 DEEDHN Cc1nc(CCN(C)[C@H](C)CNC(=O)C#CC(C)C)cs1 ZINC001570708244 1068081233 /nfs/dbraw/zinc/08/12/33/1068081233.db2.gz FJXARIGKZJSDCJ-CYBMUJFWSA-N 0 3 307.463 2.090 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1cc(NC(C)=O)ccc1F ZINC001570753458 1068109855 /nfs/dbraw/zinc/10/98/55/1068109855.db2.gz KBBBQVIXQZVGDM-NSHDSACASA-N 0 3 307.369 2.020 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2F)C1 ZINC001570856419 1068141433 /nfs/dbraw/zinc/14/14/33/1068141433.db2.gz VHERPLUDTQQIAC-CQSZACIVSA-N 0 3 320.408 2.387 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](CO)NCc1ccccc1C ZINC001571429445 1068289750 /nfs/dbraw/zinc/28/97/50/1068289750.db2.gz DNGBDQIWFLCBHK-INIZCTEOSA-N 0 3 304.434 2.164 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001571486736 1068343023 /nfs/dbraw/zinc/34/30/23/1068343023.db2.gz IPZAXSFOBDHMND-WCQYABFASA-N 0 3 324.346 2.249 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccccc2F)C1 ZINC001571492174 1068346795 /nfs/dbraw/zinc/34/67/95/1068346795.db2.gz ATDWCVUACIUNNY-GDBMZVCRSA-N 0 3 302.393 2.361 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC001571512423 1068370731 /nfs/dbraw/zinc/37/07/31/1068370731.db2.gz GGNPOHLKRRYKKI-ZBFHGGJFSA-N 0 3 322.474 2.462 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC001571512421 1068371126 /nfs/dbraw/zinc/37/11/26/1068371126.db2.gz GGNPOHLKRRYKKI-GOEBONIOSA-N 0 3 322.474 2.462 20 30 DEEDHN Cc1noc(C)c1CN(CCCNC(=O)C#CC1CC1)C(C)C ZINC001267257869 1078703042 /nfs/dbraw/zinc/70/30/42/1078703042.db2.gz YSMXODWOXFDSMX-UHFFFAOYSA-N 0 3 317.433 2.422 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H]1C ZINC001571521054 1068385662 /nfs/dbraw/zinc/38/56/62/1068385662.db2.gz NGPWRTUYIUPMGG-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC001571558256 1068419208 /nfs/dbraw/zinc/41/92/08/1068419208.db2.gz FYEDTMDTKLHLSD-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)CCC(=O)N(C)C1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001511948069 1068437625 /nfs/dbraw/zinc/43/76/25/1068437625.db2.gz KBXZSTOWQLEDSO-VMBOVVBDSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001483653544 1078744729 /nfs/dbraw/zinc/74/47/29/1078744729.db2.gz RJQBHMXLQPDMIF-RYUDHWBXSA-N 0 3 310.829 2.232 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001267305579 1078752153 /nfs/dbraw/zinc/75/21/53/1078752153.db2.gz LNWVFXNVYCSZRZ-DLBZAZTESA-N 0 3 314.429 2.224 20 30 DEEDHN C=CCCC(=O)N(C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001572240951 1068696075 /nfs/dbraw/zinc/69/60/75/1068696075.db2.gz CBMQRHGXRMCISV-HNNXBMFYSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001514450122 1068707220 /nfs/dbraw/zinc/70/72/20/1068707220.db2.gz REPLKDPEOBUQTG-OAGGEKHMSA-N 0 3 323.481 2.227 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001572299227 1068724056 /nfs/dbraw/zinc/72/40/56/1068724056.db2.gz XQDBYFBJVMJKMH-WMLDXEAASA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)C1CC(NC(=O)CN(CC)CC)C1 ZINC001572558296 1068809414 /nfs/dbraw/zinc/80/94/14/1068809414.db2.gz AWQHBWYKQQZVHK-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001515358940 1068870503 /nfs/dbraw/zinc/87/05/03/1068870503.db2.gz NJSAYOWISSHOQZ-ARFHVFGLSA-N 0 3 311.385 2.343 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(CC)C(=O)CN1CCCC1 ZINC001572677467 1068875719 /nfs/dbraw/zinc/87/57/19/1068875719.db2.gz LWNAHVDCCHIPTJ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)Cc1c(C)nn(CC)c1C ZINC001483695130 1078816217 /nfs/dbraw/zinc/81/62/17/1078816217.db2.gz ZNUPGOKVHBDZCX-MRXNPFEDSA-N 0 3 318.465 2.219 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1nonc1C)c1ccccc1 ZINC001267382799 1078816729 /nfs/dbraw/zinc/81/67/29/1078816729.db2.gz USOQRWYJAPPJSC-CQSZACIVSA-N 0 3 300.362 2.015 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1C[C@H](C)CO1)c1ccccc1 ZINC001518427295 1069004000 /nfs/dbraw/zinc/00/40/00/1069004000.db2.gz RDIFVXQWGRUPRT-DRPJVOAASA-N 0 3 314.385 2.388 20 30 DEEDHN CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)[C@H](CC)CN1 ZINC001573712486 1069076023 /nfs/dbraw/zinc/07/60/23/1069076023.db2.gz MSHUDVXSLILOFB-FVQBIDKESA-N 0 3 315.417 2.315 20 30 DEEDHN CC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)[C@@H](CC)CN1 ZINC001573719300 1069078887 /nfs/dbraw/zinc/07/88/87/1069078887.db2.gz OBAVHLJKAKLRHE-HOTGVXAUSA-N 0 3 315.417 2.120 20 30 DEEDHN CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@]1(F)CCNC1 ZINC001573801570 1069107441 /nfs/dbraw/zinc/10/74/41/1069107441.db2.gz ZLPHUSRPFZCMAD-AWEZNQCLSA-N 0 3 312.728 2.217 20 30 DEEDHN CNCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC001573895175 1069127053 /nfs/dbraw/zinc/12/70/53/1069127053.db2.gz DEJGIIQEBLUCSP-UHFFFAOYSA-N 0 3 313.332 2.434 20 30 DEEDHN Cc1ccc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)n1C ZINC001483716250 1078855779 /nfs/dbraw/zinc/85/57/79/1078855779.db2.gz ZOKRUHPIKUDZHM-UHFFFAOYSA-N 0 3 322.412 2.257 20 30 DEEDHN COc1cccc([C@@H](C)NC2(CNC(=O)[C@@H](C)C#N)CC2)c1 ZINC001483723352 1078875942 /nfs/dbraw/zinc/87/59/42/1078875942.db2.gz LPXHPFPRCVSDLK-QWHCGFSZSA-N 0 3 301.390 2.154 20 30 DEEDHN C#CCOc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC001574735129 1069249306 /nfs/dbraw/zinc/24/93/06/1069249306.db2.gz BJILTZCZISSXHP-LJQANCHMSA-N 0 3 320.392 2.202 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CCNCc2ccn(C)n2)C1 ZINC001272448821 1078880917 /nfs/dbraw/zinc/88/09/17/1078880917.db2.gz IJKPSDPGSBABQZ-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cc2ccccc2[nH]1 ZINC001480944912 1078881326 /nfs/dbraw/zinc/88/13/26/1078881326.db2.gz SLCISDGBMUSUDP-UHFFFAOYSA-N 0 3 301.390 2.032 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001574851165 1069276195 /nfs/dbraw/zinc/27/61/95/1069276195.db2.gz AUOXGSMOUFFAFG-CQSZACIVSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC001574849981 1069277060 /nfs/dbraw/zinc/27/70/60/1069277060.db2.gz SMMGAFXYCNCRMD-HNNXBMFYSA-N 0 3 321.808 2.003 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC(C)(C)C(=O)Nc1ccccc1 ZINC001521851365 1069277159 /nfs/dbraw/zinc/27/71/59/1069277159.db2.gz RLHGXDDUPHGCOJ-CQSZACIVSA-N 0 3 303.406 2.204 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC001574903467 1069293342 /nfs/dbraw/zinc/29/33/42/1069293342.db2.gz RJFQGHVHRYLDHV-AWEZNQCLSA-N 0 3 324.808 2.183 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC001574908417 1069294836 /nfs/dbraw/zinc/29/48/36/1069294836.db2.gz NDCQVMOEROLDFV-KBPBESRZSA-N 0 3 304.390 2.016 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3sccc3OC)CC2)C1=O ZINC001272461274 1078894069 /nfs/dbraw/zinc/89/40/69/1078894069.db2.gz CWWGLAJSRDCXIH-UHFFFAOYSA-N 0 3 318.442 2.204 20 30 DEEDHN CCCCCCCN1CCC[C@@]12CCN([C@H](CC)C(N)=O)C2=O ZINC001272478356 1078912719 /nfs/dbraw/zinc/91/27/19/1078912719.db2.gz JFTWEKXNKPFGFJ-QAPCUYQASA-N 0 3 323.481 2.288 20 30 DEEDHN C#CCCCCCC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001544684882 1072544110 /nfs/dbraw/zinc/54/41/10/1072544110.db2.gz AZOIGMFSVYYEJW-UHFFFAOYSA-N 0 3 324.465 2.302 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](O)CN[C@H](C)c2ccccc2F)C1 ZINC001272520991 1078946550 /nfs/dbraw/zinc/94/65/50/1078946550.db2.gz MODOJDKKBOCKTO-ZIAGYGMSSA-N 0 3 320.408 2.310 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](NCC(=C)C)c1ccccc1 ZINC001267521306 1078951710 /nfs/dbraw/zinc/95/17/10/1078951710.db2.gz ROTMBPRWDHENAK-RDJZCZTQSA-N 0 3 300.402 2.048 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)Cc1cscn1)c1ccccc1 ZINC001267522972 1078952704 /nfs/dbraw/zinc/95/27/04/1078952704.db2.gz OKKQGWYCWHLRCX-INIZCTEOSA-N 0 3 313.426 2.156 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)c2cccc(OC)c2)CCC1 ZINC001280545397 1078954236 /nfs/dbraw/zinc/95/42/36/1078954236.db2.gz NHUQFCUGJDCQKL-CQSZACIVSA-N 0 3 300.402 2.060 20 30 DEEDHN C=CCN1c2ccccc2[C@]2(CCN(Cc3cc(C)n[nH]3)C2)C1=O ZINC001272543177 1078956104 /nfs/dbraw/zinc/95/61/04/1078956104.db2.gz JPMNUEWUBKGSHW-LJQANCHMSA-N 0 3 322.412 2.394 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cccc3ccncc32)C1=O ZINC001272628214 1079021102 /nfs/dbraw/zinc/02/11/02/1079021102.db2.gz DZAIJQBVUUDPRS-FQEVSTJZSA-N 0 3 319.408 2.435 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(Cl)cc(OC)c2)CC1 ZINC001670876777 1079040207 /nfs/dbraw/zinc/04/02/07/1079040207.db2.gz XOEQQIGYMBXLAI-UHFFFAOYSA-N 0 3 306.793 2.224 20 30 DEEDHN CC#CCNC1(CNC(=O)C2(c3ccccc3F)CC2)CC1 ZINC001670880159 1079045944 /nfs/dbraw/zinc/04/59/44/1079045944.db2.gz KESJTGLRMUDGPD-UHFFFAOYSA-N 0 3 300.377 2.119 20 30 DEEDHN CC#CCNC1(CNC(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC001483774890 1079111221 /nfs/dbraw/zinc/11/12/21/1079111221.db2.gz INTYHGNIJXSSBT-UHFFFAOYSA-N 0 3 314.404 2.410 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H]1CCCN1CCc1ccns1 ZINC001481052449 1079130388 /nfs/dbraw/zinc/13/03/88/1079130388.db2.gz MHFDMKHPQFHRPG-HNNXBMFYSA-N 0 3 319.474 2.460 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)COCC3CCCC3)C2)C1 ZINC001483841143 1079152809 /nfs/dbraw/zinc/15/28/09/1079152809.db2.gz GASRULDWOJEUAI-IBGZPJMESA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CCC(C(=O)N(C)C2CN(CCCCCC)C2)CC1 ZINC001483893279 1079179452 /nfs/dbraw/zinc/17/94/52/1079179452.db2.gz NSMSPRVTSVLOQX-UHFFFAOYSA-N 0 3 319.493 2.055 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)COCC(F)F)C1 ZINC001191541927 1091958835 /nfs/dbraw/zinc/95/88/35/1091958835.db2.gz DOAVPBWCOQVION-LBPRGKRZSA-N 0 3 304.381 2.013 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC001483976654 1079221479 /nfs/dbraw/zinc/22/14/79/1079221479.db2.gz MCKIZVSVHNJKAI-CYBMUJFWSA-N 0 3 318.465 2.297 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)CCC(F)(F)F)[C@H]1C ZINC001489255778 1092985825 /nfs/dbraw/zinc/98/58/25/1092985825.db2.gz PMTNYZBEZISVOJ-NEPJUHHUSA-N 0 3 308.344 2.111 20 30 DEEDHN C#CCN(C(=O)[C@H]1CCCC12CC2)C1CCN(CCOC)CC1 ZINC001483984312 1079225790 /nfs/dbraw/zinc/22/57/90/1079225790.db2.gz WASSJMNWOPFKGX-QGZVFWFLSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)COC(C)C)C2 ZINC001484019785 1079245466 /nfs/dbraw/zinc/24/54/66/1079245466.db2.gz KPNHIYGTMIFTOO-SFHVURJKSA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1COC ZINC001481141373 1079250120 /nfs/dbraw/zinc/25/01/20/1079250120.db2.gz QQGFGCTYMQROTN-UHFFFAOYSA-N 0 3 302.418 2.298 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)COc2cc(C)ccc2F)C1 ZINC001484043265 1079268671 /nfs/dbraw/zinc/26/86/71/1079268671.db2.gz IVNKJLQTPPXZMM-GOSISDBHSA-N 0 3 318.392 2.117 20 30 DEEDHN CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C)(C#N)CC1 ZINC001646708347 1074567199 /nfs/dbraw/zinc/56/71/99/1074567199.db2.gz HSQWREYXAYBYPT-CQSZACIVSA-N 0 3 316.453 2.237 20 30 DEEDHN C=CCN(CCNC(=O)c1ccc(-n2ccnc2)cc1)C1CC1 ZINC001481180057 1079297904 /nfs/dbraw/zinc/29/79/04/1079297904.db2.gz KVJOIWKZLKZFTM-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001329386644 1148889661 /nfs/dbraw/zinc/88/96/61/1148889661.db2.gz RNUVPFMCPQRDOJ-LLVKDONJSA-N 0 3 300.786 2.186 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC001646898896 1074679650 /nfs/dbraw/zinc/67/96/50/1074679650.db2.gz UCIHUAYVZCGIRT-CHWSQXEVSA-N 0 3 308.341 2.205 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2c(F)cncc2F)C1 ZINC001484162258 1079335859 /nfs/dbraw/zinc/33/58/59/1079335859.db2.gz YUHQUUSXDSTBMP-INIZCTEOSA-N 0 3 309.360 2.378 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cc(Cl)n(C)n2)C1 ZINC001484163401 1079337408 /nfs/dbraw/zinc/33/74/08/1079337408.db2.gz QOQKBHHCVXYCBE-HNNXBMFYSA-N 0 3 310.829 2.091 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2cnc3ccccn23)C1 ZINC001484163116 1079337705 /nfs/dbraw/zinc/33/77/05/1079337705.db2.gz HUMYYBCLFRDIBB-LJQANCHMSA-N 0 3 324.428 2.190 20 30 DEEDHN CC[C@@H](C)N1CCN(c2nnc(C3(C#N)CCCC3)n2C)CC1 ZINC001647669927 1074966638 /nfs/dbraw/zinc/96/66/38/1074966638.db2.gz YQARBQPUKIBEND-CQSZACIVSA-N 0 3 316.453 2.071 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001484170414 1079343503 /nfs/dbraw/zinc/34/35/03/1079343503.db2.gz PYHQKCAJLMJZFB-SFHVURJKSA-N 0 3 314.433 2.372 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC001566697161 1074978319 /nfs/dbraw/zinc/97/83/19/1074978319.db2.gz PYMQNHYBMLOWFN-JKSUJKDBSA-N 0 3 322.449 2.075 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC001566689408 1074978723 /nfs/dbraw/zinc/97/87/23/1074978723.db2.gz MYPIOTOJBMAAFI-JKSUJKDBSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C[C@H](CO)NCc1c[nH]nc1-c1ccc(Br)cc1 ZINC001560540797 1075142431 /nfs/dbraw/zinc/14/24/31/1075142431.db2.gz BGFQSTCHNRREQM-CYBMUJFWSA-N 0 3 322.206 2.476 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC001565503888 1075181229 /nfs/dbraw/zinc/18/12/29/1075181229.db2.gz DYUNICHRENCIJH-MSOLQXFVSA-N 0 3 311.429 2.422 20 30 DEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC001565503891 1075181280 /nfs/dbraw/zinc/18/12/80/1075181280.db2.gz DYUNICHRENCIJH-ZWKOTPCHSA-N 0 3 311.429 2.422 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)COCCC)C(C)(C)[C@@H]21 ZINC001565992481 1075213747 /nfs/dbraw/zinc/21/37/47/1075213747.db2.gz IDDBJCVNGHYFEI-DJIMGWMZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1[C@H]2CCCN(CC#CC)[C@@H]2C1(C)C ZINC001565995221 1075214472 /nfs/dbraw/zinc/21/44/72/1075214472.db2.gz POFOSILRZAAOAY-NXHRZFHOSA-N 0 3 318.461 2.208 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC001566094575 1075228074 /nfs/dbraw/zinc/22/80/74/1075228074.db2.gz OQYGMCYSRXRSJR-CTMQZQKCSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001566524935 1075270044 /nfs/dbraw/zinc/27/00/44/1075270044.db2.gz GDMHMHOALXPHPV-HOCLYGCPSA-N 0 3 300.402 2.388 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccc(CC)cc2)C1 ZINC001566632753 1075301950 /nfs/dbraw/zinc/30/19/50/1075301950.db2.gz DTQUXIZHKLBKLO-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN CCC(CC)CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001566694234 1075319259 /nfs/dbraw/zinc/31/92/59/1075319259.db2.gz CGGCKFRTEDRLAR-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)nc1C ZINC001566755931 1075336772 /nfs/dbraw/zinc/33/67/72/1075336772.db2.gz XEWLDZYGALOSRO-GASCZTMLSA-N 0 3 302.422 2.282 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](NCc2cc(CO)ccc2F)C1 ZINC001566802499 1075348881 /nfs/dbraw/zinc/34/88/81/1075348881.db2.gz VNIIXBOEEGZSNG-WKILWMFISA-N 0 3 320.408 2.411 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(F)(F)C(F)F)C1 ZINC001566825960 1075354956 /nfs/dbraw/zinc/35/49/56/1075354956.db2.gz CHSHFVHCARIJCF-VXGBXAGGSA-N 0 3 320.330 2.223 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2c(C)noc2CC)C1 ZINC001566849759 1075360955 /nfs/dbraw/zinc/36/09/55/1075360955.db2.gz QJPKQCKDJWOPTE-GASCZTMLSA-N 0 3 317.433 2.476 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)CCc2nc(C)cs2)C1 ZINC001566875390 1075370523 /nfs/dbraw/zinc/37/05/23/1075370523.db2.gz UGIXTLYTIOHYOL-OAHLLOKOSA-N 0 3 319.474 2.236 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H](CNCc2ocnc2C)C1 ZINC001566888894 1075374212 /nfs/dbraw/zinc/37/42/12/1075374212.db2.gz NFQMQMZNEJZXOM-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)/C=C\c1ccco1 ZINC001566917205 1075385653 /nfs/dbraw/zinc/38/56/53/1075385653.db2.gz ZAKUNYZROKXYDA-QWGSZXSUSA-N 0 3 318.417 2.466 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2C)C1 ZINC001566957815 1075399597 /nfs/dbraw/zinc/39/95/97/1075399597.db2.gz JJLKHBNPSROVNZ-GOEBONIOSA-N 0 3 318.417 2.068 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2c(F)cccc2F)C1 ZINC001566966619 1075402992 /nfs/dbraw/zinc/40/29/92/1075402992.db2.gz XQEQXGDNOHVYAS-KGLIPLIRSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CCCCCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001567010454 1075415217 /nfs/dbraw/zinc/41/52/17/1075415217.db2.gz UBTRHYCZMBCOGY-CYBMUJFWSA-N 0 3 303.431 2.408 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1nsc2ccc(C)cc21 ZINC001567042540 1075421249 /nfs/dbraw/zinc/42/12/49/1075421249.db2.gz USAZMAJTMPFOSQ-LBPRGKRZSA-N 0 3 301.415 2.336 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001567042658 1075421380 /nfs/dbraw/zinc/42/13/80/1075421380.db2.gz WZFCXUOPDQHKOL-ZIAGYGMSSA-N 0 3 323.481 2.082 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001567069192 1075426380 /nfs/dbraw/zinc/42/63/80/1075426380.db2.gz KFRWOFOPKUBMFY-CYBMUJFWSA-N 0 3 322.836 2.315 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)CCCOc1cccc(F)c1 ZINC001567080785 1075428902 /nfs/dbraw/zinc/42/89/02/1075428902.db2.gz VVIRBGAPRHQXGH-CQSZACIVSA-N 0 3 306.381 2.102 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001567193260 1075459488 /nfs/dbraw/zinc/45/94/88/1075459488.db2.gz QMBVUAJHWWCMMT-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1C ZINC001329428336 1148893616 /nfs/dbraw/zinc/89/36/16/1148893616.db2.gz PYLNPIGIYVKTAE-KBXCAEBGSA-N 0 3 322.424 2.398 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)CCC(F)(F)F)C1 ZINC001267786350 1079496154 /nfs/dbraw/zinc/49/61/54/1079496154.db2.gz VRWNGRJPARUQHH-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN N#CCc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001581859460 1076105157 /nfs/dbraw/zinc/10/51/57/1076105157.db2.gz IXMYZWSKDAYTQF-UHFFFAOYSA-N 0 3 322.347 2.362 20 30 DEEDHN C=CC[N@@H+](C)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001609055870 1077751451 /nfs/dbraw/zinc/75/14/51/1077751451.db2.gz BHXHDLCMUVEYCG-UHFFFAOYSA-N 0 3 308.183 2.247 20 30 DEEDHN C=CC[N@H+](C)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001609055870 1077751456 /nfs/dbraw/zinc/75/14/56/1077751456.db2.gz BHXHDLCMUVEYCG-UHFFFAOYSA-N 0 3 308.183 2.247 20 30 DEEDHN C=C[C@H](C(=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001609264182 1077820929 /nfs/dbraw/zinc/82/09/29/1077820929.db2.gz GCPZEJKKOKVWRK-SJLPKXTDSA-N 0 3 300.402 2.224 20 30 DEEDHN C=C[C@H](C(=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001609264182 1077820934 /nfs/dbraw/zinc/82/09/34/1077820934.db2.gz GCPZEJKKOKVWRK-SJLPKXTDSA-N 0 3 300.402 2.224 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001481277151 1079555938 /nfs/dbraw/zinc/55/59/38/1079555938.db2.gz LIQINHHBWKMLIF-RDTXWAMCSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc3c(s1)CNCC3)C2 ZINC001650379461 1079573714 /nfs/dbraw/zinc/57/37/14/1079573714.db2.gz COTMQDQSPMIBBR-HNNXBMFYSA-N 0 3 323.421 2.163 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CCC ZINC001267948973 1079627291 /nfs/dbraw/zinc/62/72/91/1079627291.db2.gz AYJYQEIHFWFVTB-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CCC ZINC001267948974 1079627636 /nfs/dbraw/zinc/62/76/36/1079627636.db2.gz AYJYQEIHFWFVTB-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1ccc(C)nn1 ZINC001484553372 1079657010 /nfs/dbraw/zinc/65/70/10/1079657010.db2.gz DQJCTUTUDUZYPO-UHFFFAOYSA-N 0 3 322.412 2.170 20 30 DEEDHN CN(CCCO)Cc1ccccc1CNC(=O)C#CC(C)(C)C ZINC001484553981 1079657125 /nfs/dbraw/zinc/65/71/25/1079657125.db2.gz MTDNYYMDNHZNDI-UHFFFAOYSA-N 0 3 316.445 2.167 20 30 DEEDHN CC[C@@H](F)C(=O)NCc1ccc([C@H](C)NCC#CCOC)cc1 ZINC001484561250 1079660466 /nfs/dbraw/zinc/66/04/66/1079660466.db2.gz MBKBXYKBEMVLHT-WMLDXEAASA-N 0 3 320.408 2.351 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2cncc3ccccc32)CCC1 ZINC001484638962 1079706177 /nfs/dbraw/zinc/70/61/77/1079706177.db2.gz OMLPETIPTXDAGN-UHFFFAOYSA-N 0 3 307.397 2.039 20 30 DEEDHN COCC#CCNCCN(C)C(=O)CCCC1CCCCC1 ZINC001481312064 1079707047 /nfs/dbraw/zinc/70/70/47/1079707047.db2.gz YZHDTZBLROFVHM-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1 ZINC001484694088 1079725800 /nfs/dbraw/zinc/72/58/00/1079725800.db2.gz NCYPQNQGMBLIPE-GOSISDBHSA-N 0 3 324.380 2.010 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)CC3CCC3)C2)CC1 ZINC001484701572 1079728943 /nfs/dbraw/zinc/72/89/43/1079728943.db2.gz JFBZKXWPKAHCHF-GOSISDBHSA-N 0 3 319.493 2.361 20 30 DEEDHN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001484712445 1079736677 /nfs/dbraw/zinc/73/66/77/1079736677.db2.gz VBJHMTNVLUOPMQ-QGZVFWFLSA-N 0 3 316.449 2.084 20 30 DEEDHN Cc1ncc(CN(CCCNC(=O)[C@H](C)C#N)C(C)C)s1 ZINC001481347323 1079740542 /nfs/dbraw/zinc/74/05/42/1079740542.db2.gz OFPJEBSXLRCXOQ-GFCCVEGCSA-N 0 3 308.451 2.328 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1cnnc(C)c1)c1ccccc1 ZINC001481366079 1079759631 /nfs/dbraw/zinc/75/96/31/1079759631.db2.gz TWZUNPLKDNVQPE-QGZVFWFLSA-N 0 3 310.401 2.422 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ncccc1OC)c1ccccc1 ZINC001481372075 1079764063 /nfs/dbraw/zinc/76/40/63/1079764063.db2.gz JUSXTLBBJBZWNV-HNNXBMFYSA-N 0 3 311.385 2.337 20 30 DEEDHN CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC[C@H]1CCOC1 ZINC001481379532 1079768046 /nfs/dbraw/zinc/76/80/46/1079768046.db2.gz BNCUAXMQGZMXDL-OKZBNKHCSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CCOC)CC1)C2 ZINC001484826408 1079807760 /nfs/dbraw/zinc/80/77/60/1079807760.db2.gz ABSJNDVUMKEEKJ-GOSISDBHSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001484827190 1079809489 /nfs/dbraw/zinc/80/94/89/1079809489.db2.gz JMVQGHDXFVBNTB-AEFFLSMTSA-N 0 3 324.440 2.089 20 30 DEEDHN CCC(=CC(=O)NCC[C@H]1CCN(CC#CCOC)C1)CC ZINC001481427681 1079827115 /nfs/dbraw/zinc/82/71/15/1079827115.db2.gz ZZIZRTVEOGTWQH-KRWDZBQOSA-N 0 3 306.450 2.211 20 30 DEEDHN CCCC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001484877709 1079834324 /nfs/dbraw/zinc/83/43/24/1079834324.db2.gz HWISIZVTQIKAQT-WMLDXEAASA-N 0 3 302.393 2.414 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001484889481 1079839305 /nfs/dbraw/zinc/83/93/05/1079839305.db2.gz MPVWSXHIAPAUAE-WMLDXEAASA-N 0 3 316.449 2.125 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2cc(OC)ns2)C1 ZINC001484889234 1079839376 /nfs/dbraw/zinc/83/93/76/1079839376.db2.gz LKYLRBVPKVYNQG-GXTWGEPZSA-N 0 3 323.462 2.445 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481445995 1079862488 /nfs/dbraw/zinc/86/24/88/1079862488.db2.gz JKTXAAMHAYRRAQ-CVEARBPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCC[C@@H](C)N1CC(N2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001484946768 1079877888 /nfs/dbraw/zinc/87/78/88/1079877888.db2.gz PPSCTAJKSZYFJQ-MRXNPFEDSA-N 0 3 319.493 2.360 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCC(O)(CNCC(=C)Cl)CC1 ZINC001484960389 1079883189 /nfs/dbraw/zinc/88/31/89/1079883189.db2.gz CTMNJMVWIRMMGW-OAHLLOKOSA-N 0 3 314.857 2.284 20 30 DEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)C[C@H](C)OC)CC2)C1 ZINC001485008630 1079914596 /nfs/dbraw/zinc/91/45/96/1079914596.db2.gz PSMUROTXOVVOKE-INIZCTEOSA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)CCc1csc(C)n1 ZINC001485071413 1079956427 /nfs/dbraw/zinc/95/64/27/1079956427.db2.gz PEDADICJDWJYFX-HNNXBMFYSA-N 0 3 307.463 2.493 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1n[nH]c(C2CC2)n1 ZINC001268085155 1080041054 /nfs/dbraw/zinc/04/10/54/1080041054.db2.gz LVFUBQBREPDTPV-GFCCVEGCSA-N 0 3 319.453 2.221 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001656157421 1080056700 /nfs/dbraw/zinc/05/67/00/1080056700.db2.gz QWMKACKCWHZLKN-VBQJREDUSA-N 0 3 304.438 2.007 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1ccccc1C(C)C ZINC001493570755 1080064590 /nfs/dbraw/zinc/06/45/90/1080064590.db2.gz BZIBVQLWICYVSX-UHFFFAOYSA-N 0 3 302.418 2.121 20 30 DEEDHN C#CCC[C@H](O)CNCc1c(Cl)cccc1N1CCOCC1 ZINC001658520214 1080209953 /nfs/dbraw/zinc/20/99/53/1080209953.db2.gz KKSIMEZFZJPCDU-AWEZNQCLSA-N 0 3 322.836 2.041 20 30 DEEDHN C=CCOCC(=O)NC1(CNCc2conc2C)CCCCC1 ZINC001485447817 1080219838 /nfs/dbraw/zinc/21/98/38/1080219838.db2.gz FNTAKMJHNFGSFM-UHFFFAOYSA-N 0 3 321.421 2.094 20 30 DEEDHN C=CCC[C@H](O)CN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC001658859914 1080220992 /nfs/dbraw/zinc/22/09/92/1080220992.db2.gz FSMORDVWMYHMCA-MAUKXSAKSA-N 0 3 321.417 2.390 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CCc1ccc(N(C)C)cc1 ZINC001268243240 1080224076 /nfs/dbraw/zinc/22/40/76/1080224076.db2.gz VJANTXNYLAGVSE-UHFFFAOYSA-N 0 3 315.461 2.099 20 30 DEEDHN Cc1ncc(CNC[C@H]2CCC[C@H]2NC(=O)C#CC(C)C)o1 ZINC001268277238 1080255172 /nfs/dbraw/zinc/25/51/72/1080255172.db2.gz NTBYJBKVCFRBGT-GDBMZVCRSA-N 0 3 303.406 2.017 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)C1CN(CC2=CCCCC2)C1 ZINC001485504631 1080266759 /nfs/dbraw/zinc/26/67/59/1080266759.db2.gz OKUPYCSVAFKAGE-KSSFIOAISA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)CCCC(=O)NCCC)C(C)(C)C1 ZINC001485581379 1080312318 /nfs/dbraw/zinc/31/23/18/1080312318.db2.gz CEVWXXVPCVUVQO-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN(CCCNC(=O)c1onc2c1CCCC2)C1CC1 ZINC001660703651 1080382167 /nfs/dbraw/zinc/38/21/67/1080382167.db2.gz NEKOBFZTTFHAFR-UHFFFAOYSA-N 0 3 315.417 2.161 20 30 DEEDHN COCC#CCN(CCCNC(=O)C1(C)CCCC1)C1CC1 ZINC001660708054 1080383053 /nfs/dbraw/zinc/38/30/53/1080383053.db2.gz JVGWFGOLRAHDDG-UHFFFAOYSA-N 0 3 306.450 2.187 20 30 DEEDHN C#CCN(CCCNC(=O)c1c[nH]nc1-c1ccccc1)C1CC1 ZINC001660708181 1080383539 /nfs/dbraw/zinc/38/35/39/1080383539.db2.gz OVDOYQQQLWTUFI-UHFFFAOYSA-N 0 3 322.412 2.294 20 30 DEEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(CCOCC2CCC2)C1 ZINC001481724649 1080390308 /nfs/dbraw/zinc/39/03/08/1080390308.db2.gz OLYVHZWXFMQIDJ-QGZVFWFLSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2ccccc2CC)C1 ZINC001660855468 1080409889 /nfs/dbraw/zinc/40/98/89/1080409889.db2.gz JPOYUGNQIYWHNN-KRWDZBQOSA-N 0 3 314.429 2.232 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001485748531 1080414207 /nfs/dbraw/zinc/41/42/07/1080414207.db2.gz IQKDUNWGJPUYRB-OLZOCXBDSA-N 0 3 312.845 2.151 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001481743125 1080424818 /nfs/dbraw/zinc/42/48/18/1080424818.db2.gz BESNEHWQRGFGOI-HOTGVXAUSA-N 0 3 320.433 2.427 20 30 DEEDHN COCC#CCN1CCC2(C[C@H]2NC(=O)C2(C)CCCC2)CC1 ZINC001661069333 1080437690 /nfs/dbraw/zinc/43/76/90/1080437690.db2.gz WACUEDAQHTWHNT-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cccc2)CC1 ZINC001661078945 1080439309 /nfs/dbraw/zinc/43/93/09/1080439309.db2.gz RSTRBIZVBIMVGW-SJORKVTESA-N 0 3 313.445 2.433 20 30 DEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C[C@H]1CCCO1 ZINC001268436127 1080465972 /nfs/dbraw/zinc/46/59/72/1080465972.db2.gz DCAVSPGAHJSMNV-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NCc2cncc(F)c2)C1 ZINC001661422439 1080479706 /nfs/dbraw/zinc/47/97/06/1080479706.db2.gz XLPPSBLZASOXBO-SHTZXODSSA-N 0 3 303.381 2.007 20 30 DEEDHN COCC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CC2)C1 ZINC001661547062 1080492016 /nfs/dbraw/zinc/49/20/16/1080492016.db2.gz BEJTYWJWILPMFG-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)COc2ccccc2)C1 ZINC001662008542 1080559428 /nfs/dbraw/zinc/55/94/28/1080559428.db2.gz DVPVNWDATKMSBA-IAGOWNOFSA-N 0 3 314.429 2.305 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCCN(CCOC2CCC2)[C@@H]1C ZINC001284122987 1080632616 /nfs/dbraw/zinc/63/26/16/1080632616.db2.gz POPCPTOFLXQHPP-WBVHZDCISA-N 0 3 306.450 2.328 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)CCn1cc(C)cn1)C1CC1 ZINC001481952287 1080642645 /nfs/dbraw/zinc/64/26/45/1080642645.db2.gz PYQJLHCWHMJXDT-MRXNPFEDSA-N 0 3 324.856 2.209 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@]2(CNCCF)CCCC[C@@H]2C)cn1 ZINC001481963142 1080648758 /nfs/dbraw/zinc/64/87/58/1080648758.db2.gz SVMGYAGSIXBXNL-KSSFIOAISA-N 0 3 317.408 2.301 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1ccc(OC)nn1 ZINC001662959125 1080680089 /nfs/dbraw/zinc/68/00/89/1080680089.db2.gz CHLIDWFVLWEURM-CYBMUJFWSA-N 0 3 320.437 2.072 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001663171226 1080714442 /nfs/dbraw/zinc/71/44/42/1080714442.db2.gz KRMLSFSSOUQIFN-GUYCJALGSA-N 0 3 308.397 2.262 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CCCC[C@H]1n1cccn1 ZINC001663200675 1080718980 /nfs/dbraw/zinc/71/89/80/1080718980.db2.gz CLKGLKQVGANQTP-HZPDHXFCSA-N 0 3 304.438 2.239 20 30 DEEDHN C#Cc1ccc(C(=O)NCc2ccc(CNCC#CC)cc2)nc1 ZINC001482035117 1080724102 /nfs/dbraw/zinc/72/41/02/1080724102.db2.gz OYIUVJRCTWEQBT-UHFFFAOYSA-N 0 3 317.392 2.106 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2ccccc2CC)cn1 ZINC001663317448 1080729492 /nfs/dbraw/zinc/72/94/92/1080729492.db2.gz HVFSATCVCDSMAP-UHFFFAOYSA-N 0 3 321.424 2.487 20 30 DEEDHN C=CCN(CC)CCNC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001663406863 1080742005 /nfs/dbraw/zinc/74/20/05/1080742005.db2.gz ITNNKLQDANYHQK-NWDGAFQWSA-N 0 3 308.344 2.111 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@H](C)n1cccc1 ZINC001482089833 1080794053 /nfs/dbraw/zinc/79/40/53/1080794053.db2.gz MVAWTGDQMVHBBX-CVEARBPZSA-N 0 3 324.428 2.463 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC001663633955 1080795073 /nfs/dbraw/zinc/79/50/73/1080795073.db2.gz LRWBMJRUZHVZMA-HOTGVXAUSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)CCCOc2ccccc2F)C1 ZINC001663645286 1080798884 /nfs/dbraw/zinc/79/88/84/1080798884.db2.gz SAQFDQCKNLAMLS-OAHLLOKOSA-N 0 3 318.392 2.056 20 30 DEEDHN C=CCN(CCNC(=O)c1c(F)cc(OC)cc1F)C1CC1 ZINC001663757279 1080811704 /nfs/dbraw/zinc/81/17/04/1080811704.db2.gz VYTWMDNHJNXIBE-UHFFFAOYSA-N 0 3 310.344 2.354 20 30 DEEDHN Cc1cncc(C(=O)N(C)CCNCc2cccc(C#N)c2)c1 ZINC001663870067 1080829883 /nfs/dbraw/zinc/82/98/83/1080829883.db2.gz WROQLDPSZQHCPL-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCN[C@H](C)C(=O)NC(CC)CC)C1 ZINC001664174688 1080871343 /nfs/dbraw/zinc/87/13/43/1080871343.db2.gz YLKFYEUYIBHWBR-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCNC/C=C/CNC(=O)C1(Cc2ccccc2F)CC1 ZINC001268600162 1080881794 /nfs/dbraw/zinc/88/17/94/1080881794.db2.gz LABIGRLGQHYKQI-AATRIKPKSA-N 0 3 300.377 2.044 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001268634691 1080907883 /nfs/dbraw/zinc/90/78/83/1080907883.db2.gz YDOKBXARHTZCGP-AQWUKCDYSA-N 0 3 310.441 2.467 20 30 DEEDHN C=C(C)CN(CC)C(=O)CNC[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001268656574 1080919575 /nfs/dbraw/zinc/91/95/75/1080919575.db2.gz VLGWWZOZUVFGPU-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCC(=O)N1CCCCCC1 ZINC001268660967 1080921360 /nfs/dbraw/zinc/92/13/60/1080921360.db2.gz CWXOTFWLQJHJRQ-CRAIPNDOSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)COC1CCCC1)c1ccccc1 ZINC001664572835 1080926592 /nfs/dbraw/zinc/92/65/92/1080926592.db2.gz GBEMUVHFQCELHY-SFHVURJKSA-N 0 3 314.429 2.416 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)CCc1cncnc1)c1ccccc1 ZINC001664583732 1080928716 /nfs/dbraw/zinc/92/87/16/1080928716.db2.gz UHAIFHIKIZQSCD-GOSISDBHSA-N 0 3 324.428 2.432 20 30 DEEDHN CCCCO[C@@H](C)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268680304 1080929571 /nfs/dbraw/zinc/92/95/71/1080929571.db2.gz JNYHCPQOFQUUBU-IRXDYDNUSA-N 0 3 316.445 2.338 20 30 DEEDHN C#CCOCCC(=O)N[C@@H](C)CNCc1ccc(C)cc1Cl ZINC001268689131 1080936111 /nfs/dbraw/zinc/93/61/11/1080936111.db2.gz SGVCRXCTVCAVPV-AWEZNQCLSA-N 0 3 322.836 2.283 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001664680084 1080940709 /nfs/dbraw/zinc/94/07/09/1080940709.db2.gz ZMCLSANWGUCQNZ-LBPRGKRZSA-N 0 3 324.375 2.297 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H](C)n2ccnc2)C1 ZINC001664683433 1080941429 /nfs/dbraw/zinc/94/14/29/1080941429.db2.gz IPZOLLKULRWYKS-DLBZAZTESA-N 0 3 316.449 2.170 20 30 DEEDHN C=CCCCC(=O)NCC[C@H]1CCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001664734067 1080950798 /nfs/dbraw/zinc/95/07/98/1080950798.db2.gz AEHOUSDTAULVJU-ZFWWWQNUSA-N 0 3 319.453 2.359 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCN(CC#CCOC)C1 ZINC001664734854 1080952298 /nfs/dbraw/zinc/95/22/98/1080952298.db2.gz KXYCYSRQLSUXJP-DLBZAZTESA-N 0 3 306.450 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNCc1ccn(C)n1 ZINC001268761116 1080974480 /nfs/dbraw/zinc/97/44/80/1080974480.db2.gz ALXFTBZPLWNWSP-GDBMZVCRSA-N 0 3 318.465 2.397 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNCc1cnns1 ZINC001268767533 1080977202 /nfs/dbraw/zinc/97/72/02/1080977202.db2.gz PXHYXOACDSMBPM-OCCSQVGLSA-N 0 3 308.451 2.269 20 30 DEEDHN CN(CCCNCc1cc(C#N)ccc1F)C(=O)CC1CC1 ZINC001268774310 1080981062 /nfs/dbraw/zinc/98/10/62/1080981062.db2.gz MERVXXYXYITQNC-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2)C1 ZINC001664993384 1080982187 /nfs/dbraw/zinc/98/21/87/1080982187.db2.gz BTQZNJNAKGOXHV-SJLPKXTDSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001665047241 1080986713 /nfs/dbraw/zinc/98/67/13/1080986713.db2.gz DGNFKXPRJXRSFR-KRWDZBQOSA-N 0 3 302.418 2.012 20 30 DEEDHN CCc1ccc(CCN2CC(CNC(=O)C#CC3CC3)C2)cc1 ZINC001665279503 1081008723 /nfs/dbraw/zinc/00/87/23/1081008723.db2.gz TZIIOUVCOSMWFH-UHFFFAOYSA-N 0 3 310.441 2.253 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001665591580 1081042477 /nfs/dbraw/zinc/04/24/77/1081042477.db2.gz HQXUMFNGISUQOZ-CQSZACIVSA-N 0 3 322.453 2.203 20 30 DEEDHN C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1c[nH]c2ccccc12 ZINC001268944810 1081053092 /nfs/dbraw/zinc/05/30/92/1081053092.db2.gz NZQZWXBRAAERFH-IYBDPMFKSA-N 0 3 307.397 2.019 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]cn1 ZINC001268947327 1081060755 /nfs/dbraw/zinc/06/07/55/1081060755.db2.gz LDEZHNHFPHBAMO-IRXDYDNUSA-N 0 3 316.449 2.374 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCOCc2ccccc2)C1 ZINC001665686397 1081063042 /nfs/dbraw/zinc/06/30/42/1081063042.db2.gz JERWEBYOEMYOHY-GOSISDBHSA-N 0 3 314.429 2.149 20 30 DEEDHN CCOCC(=O)NC[C@@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001665754354 1081076772 /nfs/dbraw/zinc/07/67/72/1081076772.db2.gz MQTKXLLBMHISMC-MRXNPFEDSA-N 0 3 322.836 2.212 20 30 DEEDHN CC[C@H](CNC(=O)COC(C)(C)C)NCC#Cc1ccccc1 ZINC001665777133 1081080828 /nfs/dbraw/zinc/08/08/28/1081080828.db2.gz UQXMFOBJXZPDLO-QGZVFWFLSA-N 0 3 316.445 2.338 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1(CNCc2n[nH]c(C)n2)CCCC1 ZINC001665925410 1081098105 /nfs/dbraw/zinc/09/81/05/1081098105.db2.gz JKGPFJFSQFCSOT-UHFFFAOYSA-N 0 3 319.453 2.234 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(F)nc1)C1CC1 ZINC001665985523 1081106191 /nfs/dbraw/zinc/10/61/91/1081106191.db2.gz SLYMKKALPJRIAP-OAHLLOKOSA-N 0 3 311.788 2.461 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001269159511 1081145353 /nfs/dbraw/zinc/14/53/53/1081145353.db2.gz ISHMKSDRVSMCJK-CQSZACIVSA-N 0 3 305.422 2.145 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)CC2(C)CC2)CC1 ZINC001666371531 1081148879 /nfs/dbraw/zinc/14/88/79/1081148879.db2.gz XTEGMVUYVMKWSO-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C=CCS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000710841515 1081149527 /nfs/dbraw/zinc/14/95/27/1081149527.db2.gz BUTJIFKDVUVRTG-UHFFFAOYSA-N 0 3 308.447 2.004 20 30 DEEDHN O=C(C1=COCCC1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001666403435 1081150643 /nfs/dbraw/zinc/15/06/43/1081150643.db2.gz AIQSYVVFTVWWTC-LJQANCHMSA-N 0 3 324.424 2.313 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C(C)(C)CCC ZINC001666453929 1081153146 /nfs/dbraw/zinc/15/31/46/1081153146.db2.gz HAWDXOASVJPVQF-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001269254638 1081185501 /nfs/dbraw/zinc/18/55/01/1081185501.db2.gz CWOUWDINGONMEU-OAHLLOKOSA-N 0 3 312.417 2.344 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC1CCCCC1 ZINC001666850450 1081185792 /nfs/dbraw/zinc/18/57/92/1081185792.db2.gz YUMUKFZUPGCMIE-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CS[C@@H](C)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666860488 1081187460 /nfs/dbraw/zinc/18/74/60/1081187460.db2.gz WVZFUQPCAMLDJP-CABCVRRESA-N 0 3 304.459 2.226 20 30 DEEDHN C=CCOCC(=O)N(C)[C@H](C)CNCc1cc(F)cc(F)c1 ZINC001666864728 1081187750 /nfs/dbraw/zinc/18/77/50/1081187750.db2.gz HNMCCRYCXNIWMR-GFCCVEGCSA-N 0 3 312.360 2.104 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2cccc(OC)c2)C1 ZINC001269292485 1081200523 /nfs/dbraw/zinc/20/05/23/1081200523.db2.gz NHOKEKKXAXZNNX-INIZCTEOSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)Cc2ccc(C)o2)C1 ZINC001269317024 1081210202 /nfs/dbraw/zinc/21/02/02/1081210202.db2.gz AHSOYEPQKXQNAW-INIZCTEOSA-N 0 3 320.433 2.256 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CSCC#N)CCCC1 ZINC001482212660 1081210969 /nfs/dbraw/zinc/21/09/69/1081210969.db2.gz PARFCJFBCVVWNZ-UHFFFAOYSA-N 0 3 301.843 2.014 20 30 DEEDHN C=CCCC(=O)NCC1(NCc2cnc(C)nc2)CCCC1 ZINC001482214279 1081218933 /nfs/dbraw/zinc/21/89/33/1081218933.db2.gz OITUKOBRRDTWTG-UHFFFAOYSA-N 0 3 302.422 2.270 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001667595967 1081266429 /nfs/dbraw/zinc/26/64/29/1081266429.db2.gz MARHSJMZDYGOFX-OAHLLOKOSA-N 0 3 320.408 2.343 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1c(C)nn(CC)c1C ZINC001667652490 1081270891 /nfs/dbraw/zinc/27/08/91/1081270891.db2.gz HREPCOMOOYGALX-UHFFFAOYSA-N 0 3 306.454 2.029 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC1(NC[C@@H](F)CC)CC1 ZINC001269526464 1081276032 /nfs/dbraw/zinc/27/60/32/1081276032.db2.gz LIYPBVAPECBXDP-INIZCTEOSA-N 0 3 302.393 2.197 20 30 DEEDHN C=CCC[C@H](C)[NH2+]CC1(NC(=O)c2cnc[n-]c2=O)CCCC1 ZINC001269554018 1081288534 /nfs/dbraw/zinc/28/85/34/1081288534.db2.gz LJPFGMKJUUIOPO-ZDUSSCGKSA-N 0 3 318.421 2.169 20 30 DEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CSC(C)C)C1 ZINC001269555633 1081289430 /nfs/dbraw/zinc/28/94/30/1081289430.db2.gz GQFZBAQQFSZLAW-CVEARBPZSA-N 0 3 308.491 2.464 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1ccns1 ZINC001668081593 1081313190 /nfs/dbraw/zinc/31/31/90/1081313190.db2.gz CBZCHDZRQDBRPN-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@]2(CNCCF)CCCC[C@@H]2C)nc1 ZINC001269676024 1081330014 /nfs/dbraw/zinc/33/00/14/1081330014.db2.gz FCFYJLHSXLTVAM-KBXCAEBGSA-N 0 3 317.408 2.301 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC000950412006 1081331669 /nfs/dbraw/zinc/33/16/69/1081331669.db2.gz HKVBOHMWWPVGAW-UHFFFAOYSA-N 0 3 313.405 2.070 20 30 DEEDHN CCCCC(=O)N1CCC2(C1)CCN(CC#CCOC)CC2 ZINC001269699573 1081337311 /nfs/dbraw/zinc/33/73/11/1081337311.db2.gz FTIQSLOSPNJFLV-UHFFFAOYSA-N 0 3 306.450 2.141 20 30 DEEDHN Cc1ncoc1CNCC[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001269729150 1081348401 /nfs/dbraw/zinc/34/84/01/1081348401.db2.gz AVYGFGUFZLNQPW-INIZCTEOSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001668449965 1081356083 /nfs/dbraw/zinc/35/60/83/1081356083.db2.gz OAIHCRQKNZRXFK-UHFFFAOYSA-N 0 3 308.813 2.016 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1nsc2ccc(C)cc21 ZINC001668517272 1081363126 /nfs/dbraw/zinc/36/31/26/1081363126.db2.gz RJKPAVLAZYVESA-UHFFFAOYSA-N 0 3 301.415 2.290 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1c(F)cccc1Cl ZINC001668626055 1081374439 /nfs/dbraw/zinc/37/44/39/1081374439.db2.gz FMYJHRPMUFTHPA-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN C=C(Br)CNCC[C@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC001280150784 1081438515 /nfs/dbraw/zinc/43/85/15/1081438515.db2.gz DBYZREVOUBDQHK-RYUDHWBXSA-N 0 3 321.234 2.471 20 30 DEEDHN CC(C)n1nccc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669568974 1081457918 /nfs/dbraw/zinc/45/79/18/1081457918.db2.gz RBARVPNERWDWRZ-INIZCTEOSA-N 0 3 324.428 2.224 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(Br)c[nH]1 ZINC001669846128 1081474286 /nfs/dbraw/zinc/47/42/86/1081474286.db2.gz RWNQDLJDQMNALL-VIFPVBQESA-N 0 3 300.200 2.013 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001270232335 1081480017 /nfs/dbraw/zinc/48/00/17/1081480017.db2.gz XOFLQLSSPMZPHE-MRXNPFEDSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCN(C(=O)c1ccnn1CCC)C1CCN(CC=C)CC1 ZINC001270315743 1081499658 /nfs/dbraw/zinc/49/96/58/1081499658.db2.gz XBXXVENLYMOTKU-UHFFFAOYSA-N 0 3 314.433 2.019 20 30 DEEDHN C=CCCN1CC(N(CC)C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000951366259 1081508260 /nfs/dbraw/zinc/50/82/60/1081508260.db2.gz VMUKJDAPVRTPIE-BBRMVZONSA-N 0 3 316.449 2.184 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2COc3ccccc32)CC1 ZINC001006475236 1081516755 /nfs/dbraw/zinc/51/67/55/1081516755.db2.gz LMINODGUBFGVGX-INIZCTEOSA-N 0 3 300.402 2.271 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1ccc(OC)nc1 ZINC001482286810 1081519547 /nfs/dbraw/zinc/51/95/47/1081519547.db2.gz JUBZHAOCKLIZON-CQSZACIVSA-N 0 3 305.422 2.383 20 30 DEEDHN C#CCN(C(=O)c1ccc(Cl)cn1)C1CCN(CC=C)CC1 ZINC001671503954 1081520176 /nfs/dbraw/zinc/52/01/76/1081520176.db2.gz ISFMUCGSFARQDH-UHFFFAOYSA-N 0 3 317.820 2.461 20 30 DEEDHN C#CCN(C(=O)CCC1CCCCC1)C1CCN(CCO)CC1 ZINC001671504060 1081520316 /nfs/dbraw/zinc/52/03/16/1081520316.db2.gz MFUWJFDGEAPPKT-UHFFFAOYSA-N 0 3 320.477 2.265 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(C)cn3ccnc23)CC1 ZINC001671846243 1081542833 /nfs/dbraw/zinc/54/28/33/1081542833.db2.gz DUFDUZZATBMPPN-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC2CCOCC2)C1 ZINC001671876541 1081544477 /nfs/dbraw/zinc/54/44/77/1081544477.db2.gz AUPYIHWJVDPKQQ-GOSISDBHSA-N 0 3 306.450 2.045 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2[nH]nc3ccccc32)C1 ZINC001671916261 1081550625 /nfs/dbraw/zinc/55/06/25/1081550625.db2.gz HXZSAFGFDKHDKX-IBGZPJMESA-N 0 3 324.428 2.418 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CCc2ccc(OC)nc2)C1 ZINC001270606600 1081562170 /nfs/dbraw/zinc/56/21/70/1081562170.db2.gz FDRXVALERSIAML-GOSISDBHSA-N 0 3 317.433 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCC(=O)NC1CCCCC1 ZINC001482316935 1081603447 /nfs/dbraw/zinc/60/34/47/1081603447.db2.gz MTNURJVEUNPGFR-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001672491888 1081604501 /nfs/dbraw/zinc/60/45/01/1081604501.db2.gz PCGSBWQVHHNFKB-GOSISDBHSA-N 0 3 320.433 2.338 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001672491889 1081604619 /nfs/dbraw/zinc/60/46/19/1081604619.db2.gz PCGSBWQVHHNFKB-SFHVURJKSA-N 0 3 320.433 2.338 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@](C)(CNCc2cnc(C)cn2)C1 ZINC001270788797 1081713314 /nfs/dbraw/zinc/71/33/14/1081713314.db2.gz MCHYWJQBBRSKIO-SFHVURJKSA-N 0 3 316.449 2.470 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cc(C)on1 ZINC001672920666 1081722071 /nfs/dbraw/zinc/72/20/71/1081722071.db2.gz HECKGZGZTBBUHC-UHFFFAOYSA-N 0 3 311.385 2.368 20 30 DEEDHN COCC#CCNC1(CNC(=O)C(F)=C2CCCC2)CCC1 ZINC001673156403 1081742525 /nfs/dbraw/zinc/74/25/25/1081742525.db2.gz XPYJRMQSSNSBQD-UHFFFAOYSA-N 0 3 308.397 2.062 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2noc3ccccc32)CCC1 ZINC001673185813 1081744545 /nfs/dbraw/zinc/74/45/45/1081744545.db2.gz VPBUPVQWJYCUQS-UHFFFAOYSA-N 0 3 311.385 2.022 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001673362456 1081758381 /nfs/dbraw/zinc/75/83/81/1081758381.db2.gz GYQGZIOZRSZICE-KRWDZBQOSA-N 0 3 320.408 2.499 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)C2(CCOCC)CCC2)CC1 ZINC001673375049 1081762245 /nfs/dbraw/zinc/76/22/45/1081762245.db2.gz KBYBOPMPJUMMOG-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001673385563 1081763130 /nfs/dbraw/zinc/76/31/30/1081763130.db2.gz FAHUYKHRPSEGQM-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN COCCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1Cl ZINC001270871332 1081777063 /nfs/dbraw/zinc/77/70/63/1081777063.db2.gz SZLNEKABADSDAR-CQSZACIVSA-N 0 3 322.836 2.165 20 30 DEEDHN C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)COC ZINC001673629609 1081786025 /nfs/dbraw/zinc/78/60/25/1081786025.db2.gz MKBXWTTYWXIJOB-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H](C)COC ZINC001482445127 1081846033 /nfs/dbraw/zinc/84/60/33/1081846033.db2.gz WTPWXKOGZOTCDN-GXTWGEPZSA-N 0 3 302.846 2.382 20 30 DEEDHN C/C=C(\C)C(=O)N1CCC2(CCN(CC#CCOC)CC2)CC1 ZINC001674294452 1081857967 /nfs/dbraw/zinc/85/79/67/1081857967.db2.gz NDBFJVUGZZGVRI-HAVNEIBRSA-N 0 3 318.461 2.307 20 30 DEEDHN COCC#CCN1CCC2(CC1)CCN(C(=O)C(C)(C)C)CC2 ZINC001674294084 1081858236 /nfs/dbraw/zinc/85/82/36/1081858236.db2.gz GRYTXPBFFJPZCP-UHFFFAOYSA-N 0 3 320.477 2.387 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1scnc1C ZINC001674434951 1081870354 /nfs/dbraw/zinc/87/03/54/1081870354.db2.gz LQHKTUALTKWYBV-AWEZNQCLSA-N 0 3 323.462 2.191 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2ccccc2O1 ZINC001674492046 1081880276 /nfs/dbraw/zinc/88/02/76/1081880276.db2.gz VKHBRLGRAONKMV-AEFFLSMTSA-N 0 3 314.429 2.489 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1cn(C)nc1C ZINC001271092802 1081906156 /nfs/dbraw/zinc/90/61/56/1081906156.db2.gz LPECERAWKQHKKW-SUMWQHHRSA-N 0 3 306.454 2.267 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)Cc1ccc(C2CC2)cc1 ZINC001480858266 1081918079 /nfs/dbraw/zinc/91/80/79/1081918079.db2.gz KTYKNJNDMGTATE-IBGZPJMESA-N 0 3 316.445 2.439 20 30 DEEDHN Cc1ccccc1OCCCN(C)CCNC(=O)C#CC(C)C ZINC001480862500 1081924840 /nfs/dbraw/zinc/92/48/40/1081924840.db2.gz SJMDGIRAVFUNLP-UHFFFAOYSA-N 0 3 316.445 2.471 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C23CCC(CC2)C3)CC1 ZINC001266266732 1081927994 /nfs/dbraw/zinc/92/79/94/1081927994.db2.gz AVGSTPLKFULZBY-UHFFFAOYSA-N 0 3 319.493 2.267 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)C2CCC=CCC2)CC1 ZINC001266277451 1081934605 /nfs/dbraw/zinc/93/46/05/1081934605.db2.gz ASFFARGZMPBBMX-UHFFFAOYSA-N 0 3 319.493 2.433 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1cccc2scnc21 ZINC001480863901 1081934677 /nfs/dbraw/zinc/93/46/77/1081934677.db2.gz HBDVRILAZNGKAV-UHFFFAOYSA-N 0 3 319.430 2.161 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)Cc2ccc(CO)cc2)cc1 ZINC001266306378 1081960882 /nfs/dbraw/zinc/96/08/82/1081960882.db2.gz PETWMIVODMGROO-UHFFFAOYSA-N 0 3 322.408 2.022 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001266316889 1081966925 /nfs/dbraw/zinc/96/69/25/1081966925.db2.gz JVKSOXFMHJKNSB-HNNXBMFYSA-N 0 3 302.422 2.336 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC001266319932 1081968782 /nfs/dbraw/zinc/96/87/82/1081968782.db2.gz VVUKWEBQZGHGPI-CABCVRRESA-N 0 3 310.388 2.416 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001271221288 1081992812 /nfs/dbraw/zinc/99/28/12/1081992812.db2.gz UQWGMLHVJHVUET-CQSZACIVSA-N 0 3 314.838 2.144 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccccc2C2CCC2)C1 ZINC001271221066 1081992841 /nfs/dbraw/zinc/99/28/41/1081992841.db2.gz SZZKQTXVYIMOQG-LJQANCHMSA-N 0 3 314.429 2.307 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC001266355679 1081994471 /nfs/dbraw/zinc/99/44/71/1081994471.db2.gz MFVXXEJBTRAZCO-KRWDZBQOSA-N 0 3 314.429 2.321 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001266360928 1081998081 /nfs/dbraw/zinc/99/80/81/1081998081.db2.gz FZBBPDNKWAIYJO-GPANFISMSA-N 0 3 308.466 2.452 20 30 DEEDHN CCCC(CCC)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@H]2C1 ZINC001279388842 1082007907 /nfs/dbraw/zinc/00/79/07/1082007907.db2.gz VAEYCBPAZUWGFD-HDICACEKSA-N 0 3 320.477 2.243 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)Cn2nccc2C)CC1 ZINC001266389880 1082014208 /nfs/dbraw/zinc/01/42/08/1082014208.db2.gz CPTASMQFYZJDCZ-UHFFFAOYSA-N 0 3 318.465 2.471 20 30 DEEDHN O=C(CC1CC1)NC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001266392029 1082015993 /nfs/dbraw/zinc/01/59/93/1082015993.db2.gz CIHWHPZZDWAUJL-GOSISDBHSA-N 0 3 314.404 2.462 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)cn1 ZINC001266481098 1082065443 /nfs/dbraw/zinc/06/54/43/1082065443.db2.gz HUQFYTIFYBUDJD-SOUVJXGZSA-N 0 3 302.422 2.064 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)OC ZINC001266496048 1082074805 /nfs/dbraw/zinc/07/48/05/1082074805.db2.gz ZPXBGKKPVSSYNJ-ZWKOTPCHSA-N 0 3 316.445 2.401 20 30 DEEDHN C=CCCC(=O)N1C[C@H](C)[C@@H](CNCc2csnc2OC)C1 ZINC001271582261 1082086541 /nfs/dbraw/zinc/08/65/41/1082086541.db2.gz KCXBIWALFZFQEH-STQMWFEESA-N 0 3 323.462 2.302 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCN(Cc2c(C)noc2C)C1 ZINC001266511770 1082092406 /nfs/dbraw/zinc/09/24/06/1082092406.db2.gz QMDNOCZOKONAFF-HNNXBMFYSA-N 0 3 303.406 2.033 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(OC)no2)C1 ZINC001271625796 1082093585 /nfs/dbraw/zinc/09/35/85/1082093585.db2.gz JGQMZLKEVIZVPX-UONOGXRCSA-N 0 3 321.421 2.366 20 30 DEEDHN C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001271688117 1082109701 /nfs/dbraw/zinc/10/97/01/1082109701.db2.gz NWWBDGHEMONEOB-GOEBONIOSA-N 0 3 300.402 2.246 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cncn1C ZINC001271714091 1082116795 /nfs/dbraw/zinc/11/67/95/1082116795.db2.gz GFLGEXJCWFAGBM-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001266539864 1082135823 /nfs/dbraw/zinc/13/58/23/1082135823.db2.gz KJWBIBRYYAQQEC-GJZGRUSLSA-N 0 3 302.393 2.391 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)COc1ccccc1F ZINC001266577738 1082171847 /nfs/dbraw/zinc/17/18/47/1082171847.db2.gz XLWLWEAERYQNRF-UHFFFAOYSA-N 0 3 306.381 2.056 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](NCc2n[nH]c(C)n2)C(C)C)CC1 ZINC001271891045 1082182391 /nfs/dbraw/zinc/18/23/91/1082182391.db2.gz BOEFDMUAVHZGIQ-HNNXBMFYSA-N 0 3 319.453 2.090 20 30 DEEDHN C=CCN(CCNC(=O)c1cn(C)nc1-c1ccoc1)C1CC1 ZINC001266602328 1082189362 /nfs/dbraw/zinc/18/93/62/1082189362.db2.gz BIWRJYHIKKFVSA-UHFFFAOYSA-N 0 3 314.389 2.060 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)c1ccnc(F)c1 ZINC001266655317 1082252143 /nfs/dbraw/zinc/25/21/43/1082252143.db2.gz XBLCKAORXUMTHH-UHFFFAOYSA-N 0 3 318.377 2.016 20 30 DEEDHN Cc1ccncc1C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266667329 1082262250 /nfs/dbraw/zinc/26/22/50/1082262250.db2.gz VNUYFRCKAODKQZ-UHFFFAOYSA-N 0 3 308.385 2.124 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cnn(CC(C)C)c1CC ZINC001272013266 1082265970 /nfs/dbraw/zinc/26/59/70/1082265970.db2.gz HRTIXUQVJVSIAS-UHFFFAOYSA-N 0 3 306.454 2.291 20 30 DEEDHN CCc1ccc(CN(C)CCN(C)C(=O)CSCC#N)cc1 ZINC001482580761 1082273066 /nfs/dbraw/zinc/27/30/66/1082273066.db2.gz ICVDAUCLDLBADJ-UHFFFAOYSA-N 0 3 319.474 2.396 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001266686877 1082283802 /nfs/dbraw/zinc/28/38/02/1082283802.db2.gz SMJGZINVZBECOC-SFHVURJKSA-N 0 3 316.401 2.308 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001266755188 1082324423 /nfs/dbraw/zinc/32/44/23/1082324423.db2.gz MJQRPDNWJWQMOE-KRWDZBQOSA-N 0 3 314.429 2.008 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001482604965 1082374785 /nfs/dbraw/zinc/37/47/85/1082374785.db2.gz RUZNPTSWLJMTMR-INIZCTEOSA-N 0 3 301.434 2.089 20 30 DEEDHN C=CCC1(C(=O)N(C)CCN[C@@H](C)C(=O)NC(C)(C)C)CCC1 ZINC001266828155 1082375166 /nfs/dbraw/zinc/37/51/66/1082375166.db2.gz PCBDHDUZZNZYET-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)Cc1ccccc1 ZINC001266844174 1082387089 /nfs/dbraw/zinc/38/70/89/1082387089.db2.gz HWAXHHCXSIWINZ-SFHVURJKSA-N 0 3 316.445 2.402 20 30 DEEDHN COCC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCF ZINC001266889501 1082431623 /nfs/dbraw/zinc/43/16/23/1082431623.db2.gz JQEJSKNDPMOZPK-SJORKVTESA-N 0 3 324.440 2.231 20 30 DEEDHN C#CCCCC(=O)NC1CCC(N[C@@H](C)c2cnccn2)CC1 ZINC001266908173 1082447559 /nfs/dbraw/zinc/44/75/59/1082447559.db2.gz HJRKPJGCVULULF-FHERZECASA-N 0 3 314.433 2.358 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)NCc1ccnc(OC)c1 ZINC001266969063 1082482630 /nfs/dbraw/zinc/48/26/30/1082482630.db2.gz ZHIIFGUMCOSJQG-CXAGYDPISA-N 0 3 305.422 2.287 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)N[C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001266968937 1082482731 /nfs/dbraw/zinc/48/27/31/1082482731.db2.gz XEKVLOOVYJJTEZ-CABCVRRESA-N 0 3 323.481 2.082 20 30 DEEDHN CC#CCNCCN(CC)C(=O)Cc1csc(C2CC2)n1 ZINC001482953764 1082575804 /nfs/dbraw/zinc/57/58/04/1082575804.db2.gz CYLOTRHPYMYSCB-UHFFFAOYSA-N 0 3 305.447 2.024 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@]1(C)CCOc2ccccc21 ZINC001272152596 1082608366 /nfs/dbraw/zinc/60/83/66/1082608366.db2.gz YUAJTPPTQFLISR-LJQANCHMSA-N 0 3 314.429 2.140 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(OC)c(OC)c1 ZINC001272165494 1082611175 /nfs/dbraw/zinc/61/11/75/1082611175.db2.gz YMHVVPUNLIJBMQ-UHFFFAOYSA-N 0 3 320.433 2.213 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001483013144 1082623832 /nfs/dbraw/zinc/62/38/32/1082623832.db2.gz UFUPSZCATQHBDG-CHYADLBTSA-N 0 3 304.434 2.035 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnc(CC(C)C)s1 ZINC001272186178 1082625460 /nfs/dbraw/zinc/62/54/60/1082625460.db2.gz YRFBATFITFOAMI-UHFFFAOYSA-N 0 3 307.463 2.369 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC/C=C/CNCc1ccc(F)c(C#N)c1 ZINC001483045569 1082657297 /nfs/dbraw/zinc/65/72/97/1082657297.db2.gz XXOHGJZUKZMMGG-FKZRYSJHSA-N 0 3 301.365 2.115 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)C1(c2ccccc2OC)CC1 ZINC001483103974 1082710619 /nfs/dbraw/zinc/71/06/19/1082710619.db2.gz LTYCFUQFQNCGFI-BQYQJAHWSA-N 0 3 312.413 2.012 20 30 DEEDHN CC[C@@H](F)C(=O)NC1CC(CNCc2ccccc2C#N)C1 ZINC001409271642 1082717292 /nfs/dbraw/zinc/71/72/92/1082717292.db2.gz BITLRNIIQJVLGR-VDSRIPIWSA-N 0 3 303.381 2.291 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC1(C)C ZINC001483121966 1082732227 /nfs/dbraw/zinc/73/22/27/1082732227.db2.gz PAZBYYBJPOJMJE-RISCZKNCSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CCC1(F)F ZINC001483140532 1082771910 /nfs/dbraw/zinc/77/19/10/1082771910.db2.gz YENPIIQNRGYCIR-SKDRFNHKSA-N 0 3 313.373 2.259 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001483175136 1082789947 /nfs/dbraw/zinc/78/99/47/1082789947.db2.gz QKTDIMUTLRSCBY-XFBWCDHKSA-N 0 3 315.392 2.338 20 30 DEEDHN Cc1cc[nH]c1C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001483223361 1082826133 /nfs/dbraw/zinc/82/61/33/1082826133.db2.gz GFKVWOQOXNWCEY-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CC1(F)F)N(C)Cc1cccc(C#N)c1 ZINC001409559785 1082954934 /nfs/dbraw/zinc/95/49/34/1082954934.db2.gz ZVOYWSXVKYXSFX-SMDDNHRTSA-N 0 3 307.344 2.150 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001409671987 1083013703 /nfs/dbraw/zinc/01/37/03/1083013703.db2.gz XCEVZWMMNMEYJE-ZDUSSCGKSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@@H](CN(C)C[C@@H]1CC(C)(C)CO1)NC(=O)C#CC(C)(C)C ZINC001483336456 1083113050 /nfs/dbraw/zinc/11/30/50/1083113050.db2.gz OAQLQKRZALQSHG-GJZGRUSLSA-N 0 3 308.466 2.288 20 30 DEEDHN CS[C@H](C)CCN1CC2(C1)CN(Cc1cc(C#N)n(C)c1)C2 ZINC001276471469 1083459066 /nfs/dbraw/zinc/45/90/66/1083459066.db2.gz XOHVGRRCOXIUCO-CQSZACIVSA-N 0 3 318.490 2.156 20 30 DEEDHN CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CC#CCOC)CC2 ZINC001107525607 1083461142 /nfs/dbraw/zinc/46/11/42/1083461142.db2.gz KXMSKYKISAGXID-VQIMIIECSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@H]2O)C1 ZINC001077645521 1083547110 /nfs/dbraw/zinc/54/71/10/1083547110.db2.gz KLUVFDYKKIIWKW-HZPDHXFCSA-N 0 3 318.461 2.084 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)COCc1ccc(C)cc1 ZINC001276862858 1083652958 /nfs/dbraw/zinc/65/29/58/1083652958.db2.gz YKQFGMPBEMYOMT-KRWDZBQOSA-N 0 3 302.418 2.278 20 30 DEEDHN N#CC1(NC(=O)[C@H]2CC23CN(CCc2cccs2)C3)CCC1 ZINC001276926322 1083684329 /nfs/dbraw/zinc/68/43/29/1083684329.db2.gz QTUIQXAXRZJATE-CQSZACIVSA-N 0 3 315.442 2.175 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cnc(C)nc1C ZINC001276942240 1083691643 /nfs/dbraw/zinc/69/16/43/1083691643.db2.gz UXAIXYGOZMCIBK-DOMZBBRYSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001276962551 1083704682 /nfs/dbraw/zinc/70/46/82/1083704682.db2.gz SEAOCDVLRGEVPV-BZUAXINKSA-N 0 3 314.433 2.216 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc(OCC)cc1 ZINC001276963432 1083704950 /nfs/dbraw/zinc/70/49/50/1083704950.db2.gz HXIFZPYUVOPWAD-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=CCCCCCN1CC2(C[C@@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277152613 1083812799 /nfs/dbraw/zinc/81/27/99/1083812799.db2.gz RRTYHJNDTAZZDI-MRXNPFEDSA-N 0 3 301.434 2.427 20 30 DEEDHN C=CCCCCCCCN1C[C@@H]2C(C(=O)N(C)C)=NO[C@@H]2C1 ZINC001277167091 1083821880 /nfs/dbraw/zinc/82/18/80/1083821880.db2.gz HCUWXEZQQNYGPN-LSDHHAIUSA-N 0 3 307.438 2.288 20 30 DEEDHN C=CCNC(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001277174102 1083829057 /nfs/dbraw/zinc/82/90/57/1083829057.db2.gz UXTOIRDNDXAUOJ-QGZVFWFLSA-N 0 3 302.422 2.198 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H](C)Cc2ccccc2Cl)CC1 ZINC001277188926 1083838186 /nfs/dbraw/zinc/83/81/86/1083838186.db2.gz DPFXYONWUDPPJJ-CYBMUJFWSA-N 0 3 304.821 2.390 20 30 DEEDHN N#CCC1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NCc2ccco2)C1 ZINC001277398612 1083948812 /nfs/dbraw/zinc/94/88/12/1083948812.db2.gz ABNUJYIDKYCHNP-YQFWSFKMSA-N 0 3 313.401 2.156 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)CCNCc1ccncc1Cl ZINC001272764772 1083974322 /nfs/dbraw/zinc/97/43/22/1083974322.db2.gz MHEPGQKQZPKPLT-ZDUSSCGKSA-N 0 3 307.825 2.379 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CO[C@@H](C)CC)C2)C1 ZINC001277458879 1083982053 /nfs/dbraw/zinc/98/20/53/1083982053.db2.gz KUZLJBXMWYEDPT-WMZOPIPTSA-N 0 3 306.450 2.139 20 30 DEEDHN N#Cc1cccc(CCCN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1 ZINC001277588453 1084046706 /nfs/dbraw/zinc/04/67/06/1084046706.db2.gz CKORLACWFPZXCL-AZUAARDMSA-N 0 3 321.424 2.354 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(O)c(F)c1 ZINC001272782839 1084048421 /nfs/dbraw/zinc/04/84/21/1084048421.db2.gz NUWQIDLKRLHFTQ-HUUCEWRRSA-N 0 3 322.355 2.422 20 30 DEEDHN COc1ccc(CNC(=O)[C@@H](N)C2CCCCCC2)cc1C#N ZINC001649053919 1084051649 /nfs/dbraw/zinc/05/16/49/1084051649.db2.gz YPWAFVYMYLVKFO-KRWDZBQOSA-N 0 3 315.417 2.481 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)CCCn2cccc2)C1 ZINC001491129465 1084095405 /nfs/dbraw/zinc/09/54/05/1084095405.db2.gz HIGAMQNRULGKSF-QGZVFWFLSA-N 0 3 301.434 2.120 20 30 DEEDHN N#Cc1ccc(N2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)nc1 ZINC001277687167 1084096919 /nfs/dbraw/zinc/09/69/19/1084096919.db2.gz GYDUACMJIKEAMB-GOSISDBHSA-N 0 3 322.416 2.169 20 30 DEEDHN CCc1ccccc1CN1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277700529 1084102693 /nfs/dbraw/zinc/10/26/93/1084102693.db2.gz JKMHABYRSVOWMQ-SFHVURJKSA-N 0 3 323.440 2.443 20 30 DEEDHN Cc1cc(CN[C@H]2CCN(C(=O)C#CC(C)C)[C@@H](C)C2)on1 ZINC001277740022 1084123084 /nfs/dbraw/zinc/12/30/84/1084123084.db2.gz MISSNBCBFKBWJV-GJZGRUSLSA-N 0 3 303.406 2.112 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC001491198749 1084145835 /nfs/dbraw/zinc/14/58/35/1084145835.db2.gz KYGDDJXRXAGBDQ-IRXDYDNUSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1c(C)nsc1C ZINC001277800624 1084154878 /nfs/dbraw/zinc/15/48/78/1084154878.db2.gz NCGVQIJECRYMGM-GFCCVEGCSA-N 0 3 307.463 2.500 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]1CNCC(=O)N(C(C)C)C(C)C ZINC001277824603 1084164077 /nfs/dbraw/zinc/16/40/77/1084164077.db2.gz ZJDAEOIIDAFXJZ-MRXNPFEDSA-N 0 3 323.481 2.179 20 30 DEEDHN CCCCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001670955867 1084165940 /nfs/dbraw/zinc/16/59/40/1084165940.db2.gz JYXAABAXLNXTSP-MSOLQXFVSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC1CCCCC1 ZINC001277837311 1084169095 /nfs/dbraw/zinc/16/90/95/1084169095.db2.gz YWKRUCYFAHRYKT-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN Cc1cccc(CCN2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001277861213 1084180950 /nfs/dbraw/zinc/18/09/50/1084180950.db2.gz ANSXIEUZWAHRDX-SFHVURJKSA-N 0 3 323.440 2.232 20 30 DEEDHN CC(F)(F)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001671261719 1084194897 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C#CCN1C[C@]2(CC1=O)CCCCN2C[C@@H](C)C(F)(F)F ZINC001273444553 1091766976 /nfs/dbraw/zinc/76/69/76/1091766976.db2.gz AJOANKLIDFRXJH-TZMCWYRMSA-N 0 3 302.340 2.275 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC(=O)NC1CCCCC1 ZINC001275461343 1091768810 /nfs/dbraw/zinc/76/88/10/1091768810.db2.gz OSCNYSYUUVMKDO-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)CCC2CCOCC2)CC1 ZINC001273456038 1091776621 /nfs/dbraw/zinc/77/66/21/1091776621.db2.gz DZMSLZVHQOWCKQ-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCCCN1CCCC[C@@]12CC(=O)N([C@@H](C)C(=O)OCC)C2 ZINC001273486809 1091877755 /nfs/dbraw/zinc/87/77/55/1091877755.db2.gz OHOYYPKCKBRKHP-YJBOKZPZSA-N 0 3 322.449 2.361 20 30 DEEDHN CNC(=O)[C@H]1CC12CCN(Cc1cc3ccc(C#N)cc3[nH]1)CC2 ZINC001273557347 1091922431 /nfs/dbraw/zinc/92/24/31/1091922431.db2.gz RSAIDTNZKGOYCA-MRXNPFEDSA-N 0 3 322.412 2.388 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1n[nH]c2c1CCCCC2 ZINC001273591182 1091940657 /nfs/dbraw/zinc/94/06/57/1091940657.db2.gz 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C#CCCCC(=O)NC[C@H]1C[C@H](NCc2cncc(F)c2)C1 ZINC001488825001 1092768558 /nfs/dbraw/zinc/76/85/58/1092768558.db2.gz YHEUWVMKZGLXSB-SAZUREKKSA-N 0 3 303.381 2.009 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)C(=O)CN1CCC[C@H]1C ZINC001488925170 1092833802 /nfs/dbraw/zinc/83/38/02/1092833802.db2.gz IMOCYAUHDOMMEV-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](C)N(CC)C(=O)CN1CCC[C@@H]1C ZINC001488925171 1092834219 /nfs/dbraw/zinc/83/42/19/1092834219.db2.gz IMOCYAUHDOMMEV-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1CCOCC1CCC1 ZINC001489115082 1092924832 /nfs/dbraw/zinc/92/48/32/1092924832.db2.gz XSZAUHULOMEBIV-ZWKOTPCHSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001489176080 1092947401 /nfs/dbraw/zinc/94/74/01/1092947401.db2.gz YEHJKHJRXKGDRQ-HIEASXQVSA-N 0 3 320.477 2.284 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)[C@H]1C ZINC001489287943 1093004668 /nfs/dbraw/zinc/00/46/68/1093004668.db2.gz ZRYQTVWWZDBYJD-JLSDUUJJSA-N 0 3 314.429 2.108 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCc1cn[nH]c1 ZINC001490301962 1093284206 /nfs/dbraw/zinc/28/42/06/1093284206.db2.gz FYRBKTHKPOBEOL-DZGCQCFKSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1nonc1C ZINC001490311642 1093302382 /nfs/dbraw/zinc/30/23/82/1093302382.db2.gz JVEUNIYQHIWFQE-CMPLNLGQSA-N 0 3 312.801 2.103 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C(F)=C2CCCC2)CC1 ZINC001490466300 1093385068 /nfs/dbraw/zinc/38/50/68/1093385068.db2.gz ZQPPEQFJEVFZFV-UHFFFAOYSA-N 0 3 323.456 2.484 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001490550663 1093405462 /nfs/dbraw/zinc/40/54/62/1093405462.db2.gz ZLKVTXMACOGXKP-INIZCTEOSA-N 0 3 319.449 2.132 20 30 DEEDHN Cc1oncc1CN(C)C[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001490761415 1093513780 /nfs/dbraw/zinc/51/37/80/1093513780.db2.gz XASQMFNVKPDMHE-INIZCTEOSA-N 0 3 317.433 2.313 20 30 DEEDHN C=CCOC[C@@H](O)CN[C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001252494048 1093567102 /nfs/dbraw/zinc/56/71/02/1093567102.db2.gz WDHQHHAZRZYSJK-UONOGXRCSA-N 0 3 320.216 2.180 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)/C=C\c2ccc[nH]2)c1 ZINC001273982016 1093708284 /nfs/dbraw/zinc/70/82/84/1093708284.db2.gz GQRTWFDCWXXMFK-JOSIRHCKSA-N 0 3 320.396 2.362 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC001649167388 1093732562 /nfs/dbraw/zinc/73/25/62/1093732562.db2.gz IFUUMXZZKJGHPI-KGLIPLIRSA-N 0 3 322.368 2.188 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cnc(C)c(C)c1)CC2 ZINC001274083844 1093793561 /nfs/dbraw/zinc/79/35/61/1093793561.db2.gz GAROBVSVRBQXBI-QGZVFWFLSA-N 0 3 311.429 2.050 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnn2ccccc12 ZINC001274101298 1093799403 /nfs/dbraw/zinc/79/94/03/1093799403.db2.gz BSYDZBVSWUMATP-QZTJIDSGSA-N 0 3 324.428 2.476 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cccc3cncn32)C1=O ZINC001274110413 1093801851 /nfs/dbraw/zinc/80/18/51/1093801851.db2.gz JWIWEMXPBTYXRW-LJQANCHMSA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)ccc1C ZINC001274108932 1093802235 /nfs/dbraw/zinc/80/22/35/1093802235.db2.gz CNFMHYRRNMLTIQ-IAGOWNOFSA-N 0 3 300.402 2.452 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CN[C@@H](C)c2cnccn2)C1 ZINC001480277379 1151737302 /nfs/dbraw/zinc/73/73/02/1151737302.db2.gz UPPFRTVVBRDMGS-GJZGRUSLSA-N 0 3 302.422 2.332 20 30 DEEDHN C=CCc1cccc(CN2CCNC[C@@H]2C(F)(F)F)c1O ZINC001236976568 1138472476 /nfs/dbraw/zinc/47/24/76/1138472476.db2.gz PMXBHCZUCTUOCA-CYBMUJFWSA-N 0 3 300.324 2.457 20 30 DEEDHN C=CCC1(C(=O)N(C)C[C@@H](C)NCC#CCOC)CCCC1 ZINC001278036336 1138473258 /nfs/dbraw/zinc/47/32/58/1138473258.db2.gz ZNAIJAIVFSIHSQ-MRXNPFEDSA-N 0 3 306.450 2.209 20 30 DEEDHN CCc1cc(CN2CCC[C@@]3(CN(C)CCO3)C2)ccc1C#N ZINC001278036800 1138474591 /nfs/dbraw/zinc/47/45/91/1138474591.db2.gz DXIVNOKPJHKPJB-LJQANCHMSA-N 0 3 313.445 2.417 20 30 DEEDHN Cn1cc(CN2CCC[C@H](n3cncn3)C2)c2cc(C#N)ccc21 ZINC001237473721 1138647568 /nfs/dbraw/zinc/64/75/68/1138647568.db2.gz SBBHPSYPPWLNDW-INIZCTEOSA-N 0 3 320.400 2.479 20 30 DEEDHN CC(C)(C)CN1CC2(C1)SCC[C@H]2C(=O)N1CC(CC#N)C1 ZINC001278111126 1138668679 /nfs/dbraw/zinc/66/86/79/1138668679.db2.gz AQFSGABYQOVSBE-AWEZNQCLSA-N 0 3 321.490 2.212 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cncn1CC)C2 ZINC001237589941 1138700989 /nfs/dbraw/zinc/70/09/89/1138700989.db2.gz UUCSSIZDCKMIOG-ROUUACIJSA-N 0 3 319.449 2.477 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3occc3OC)C2)C1=O ZINC001237866610 1138806547 /nfs/dbraw/zinc/80/65/47/1138806547.db2.gz RRICUWUETWSFHX-KRWDZBQOSA-N 0 3 304.390 2.289 20 30 DEEDHN N#CCC1CN(C(=O)[C@]23C[C@H]2CCN3CCc2ccccc2)C1 ZINC001278167180 1138812552 /nfs/dbraw/zinc/81/25/52/1138812552.db2.gz FAHQWRXLUINPBX-MJGOQNOKSA-N 0 3 309.413 2.066 20 30 DEEDHN C#CCN(C(=O)C1CCC(C)(C)CC1)C1CCN(CCO)CC1 ZINC001278207444 1138836789 /nfs/dbraw/zinc/83/67/89/1138836789.db2.gz QXGFSXWCSXUSKR-UHFFFAOYSA-N 0 3 320.477 2.121 20 30 DEEDHN C=CCCC(=O)N[C@@H](CNCc1cn(C)nc1C)C1CCCC1 ZINC001278223973 1138841953 /nfs/dbraw/zinc/84/19/53/1138841953.db2.gz HYZILOLPZBVGIJ-KRWDZBQOSA-N 0 3 318.465 2.459 20 30 DEEDHN CCCCCCCCCCS(=O)(=O)N1C[C@@H](N)[C@@H](F)C1 ZINC001239097240 1138935203 /nfs/dbraw/zinc/93/52/03/1138935203.db2.gz GKLVPXNHIZHSRA-UONOGXRCSA-N 0 3 308.463 2.438 20 30 DEEDHN C=CCC(C)(C)C(=O)NC1CCN(C(=O)CN(CC)CC)CC1 ZINC001293768249 1139036031 /nfs/dbraw/zinc/03/60/31/1139036031.db2.gz KBZPTWUZGBAOFV-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCN(CC)C(=O)[C@@H]1CCCN1C ZINC001294453522 1139181695 /nfs/dbraw/zinc/18/16/95/1139181695.db2.gz ZHCOUIUOISPFJO-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cn(C)nc1C(C)C ZINC001281967577 1139248838 /nfs/dbraw/zinc/24/88/38/1139248838.db2.gz ITEFKRCQUBKLLS-CQSZACIVSA-N 0 3 304.438 2.266 20 30 DEEDHN C=CCCC(=O)NC1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001295387852 1139380328 /nfs/dbraw/zinc/38/03/28/1139380328.db2.gz BAUJRVAGWDRLDE-DQPZFDDXSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCOCC(=O)N1C[C@H](NCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001278355103 1140048484 /nfs/dbraw/zinc/04/84/84/1140048484.db2.gz JONURWRUUARMKR-BLLLJJGKSA-N 0 3 324.371 2.246 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(CCOC)CCCC2)C1 ZINC001318445316 1140331148 /nfs/dbraw/zinc/33/11/48/1140331148.db2.gz LFNOFFDHNWYYKM-MRXNPFEDSA-N 0 3 306.450 2.139 20 30 DEEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN(CCOCCC(C)C)C1 ZINC001318471117 1140341296 /nfs/dbraw/zinc/34/12/96/1140341296.db2.gz PQBKRLCNKWZRFQ-SFHVURJKSA-N 0 3 320.477 2.385 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](C)C#N)NCC#Cc1ccc(Cl)cc1 ZINC001318508752 1140353909 /nfs/dbraw/zinc/35/39/09/1140353909.db2.gz WZDOFFDHDKTFDS-CZUORRHYSA-N 0 3 317.820 2.336 20 30 DEEDHN C=CC1(CC(=O)NC2(CNCC(N)=O)CCCC2)CCCCC1 ZINC001318662105 1140382143 /nfs/dbraw/zinc/38/21/43/1140382143.db2.gz AUELLKSZYGNEDD-UHFFFAOYSA-N 0 3 321.465 2.017 20 30 DEEDHN Cc1csc(CNCC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001318778452 1140412477 /nfs/dbraw/zinc/41/24/77/1140412477.db2.gz DTRROYOPVXKGAT-GXTWGEPZSA-N 0 3 320.462 2.330 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)c(OC)c2)C1 ZINC001278403254 1140593325 /nfs/dbraw/zinc/59/33/25/1140593325.db2.gz HIBXAQXYNNHMBM-OCCSQVGLSA-N 0 3 304.365 2.050 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCC(=O)N1CCCCC1 ZINC001319516250 1140607987 /nfs/dbraw/zinc/60/79/87/1140607987.db2.gz WFKSYVABRZXYHQ-CVEARBPZSA-N 0 3 323.481 2.038 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)CCc1ccccc1C ZINC001319537709 1140611435 /nfs/dbraw/zinc/61/14/35/1140611435.db2.gz JXPYWHGSTYSHCA-QGZVFWFLSA-N 0 3 316.445 2.014 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)c1ccc(F)cc1 ZINC001319602208 1140622863 /nfs/dbraw/zinc/62/28/63/1140622863.db2.gz BTNYFWUFPGBZKA-KRWDZBQOSA-N 0 3 320.408 2.210 20 30 DEEDHN Cc1oncc1CNCC[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001319749863 1140703128 /nfs/dbraw/zinc/70/31/28/1140703128.db2.gz IENRIIIHNSZMHX-KRWDZBQOSA-N 0 3 315.417 2.257 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(CCN(C)[C@H](C)C(N)=O)CC1 ZINC001319888343 1140800093 /nfs/dbraw/zinc/80/00/93/1140800093.db2.gz OGRRPZCSUTWYRZ-CQSZACIVSA-N 0 3 323.481 2.023 20 30 DEEDHN C=CCCCC(=O)N1CCC(CCN(C)[C@H](C)C(=O)NC)CC1 ZINC001319884411 1140800183 /nfs/dbraw/zinc/80/01/83/1140800183.db2.gz BRGXXKHTUSXTHJ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CCN2CC#CCOC)C1 ZINC001320101934 1140821983 /nfs/dbraw/zinc/82/19/83/1140821983.db2.gz CBNPYPOHEYYYDD-SJORKVTESA-N 0 3 318.461 2.161 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1cc(C)n(C)n1 ZINC001320152840 1140831082 /nfs/dbraw/zinc/83/10/82/1140831082.db2.gz LFDZGMZEANXERJ-RDJZCZTQSA-N 0 3 318.465 2.459 20 30 DEEDHN CN1CCC[C@@H]2CN(C(=S)Nc3ccc(C#N)cc3)C[C@H]21 ZINC001245916392 1140831678 /nfs/dbraw/zinc/83/16/78/1140831678.db2.gz XYYWODHBIYXTSA-UKRRQHHQSA-N 0 3 300.431 2.281 20 30 DEEDHN C=CCO[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320378731 1140858011 /nfs/dbraw/zinc/85/80/11/1140858011.db2.gz XHPDLXISXCTTCR-INIZCTEOSA-N 0 3 320.408 2.439 20 30 DEEDHN C=CCOCCN1CC[C@@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC001278430873 1140860081 /nfs/dbraw/zinc/86/00/81/1140860081.db2.gz KCGVZCFGOKPPIV-RDJZCZTQSA-N 0 3 304.390 2.209 20 30 DEEDHN C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)C1(C)CC1 ZINC001320419561 1140862626 /nfs/dbraw/zinc/86/26/26/1140862626.db2.gz AMWXTEAKHBNVCA-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](C)CCNCc2ccn(C)n2)CC1 ZINC001320542730 1140877895 /nfs/dbraw/zinc/87/78/95/1140877895.db2.gz JPCXPSOVNKVSSC-CQSZACIVSA-N 0 3 304.438 2.151 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnn(C(F)F)c1 ZINC001320588225 1140883062 /nfs/dbraw/zinc/88/30/62/1140883062.db2.gz RUGLDUKQGXTXHN-VIFPVBQESA-N 0 3 306.744 2.129 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CCc3cccnc3)CCC[C@@H]12 ZINC001278450000 1140916225 /nfs/dbraw/zinc/91/62/25/1140916225.db2.gz ATDALBXSBMSQFU-IEBWSBKVSA-N 0 3 311.429 2.151 20 30 DEEDHN C=C1CC(C)(C(=O)N(CC)CCN[C@H](C)C(=O)N(CC)CC)C1 ZINC001320839498 1140948440 /nfs/dbraw/zinc/94/84/40/1140948440.db2.gz YOQOHCQNAVBHAW-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C[C@@H]1CCCC[C@H]1C ZINC001320928442 1140995268 /nfs/dbraw/zinc/99/52/68/1140995268.db2.gz AOJYWXAQMYKQPD-SJORKVTESA-N 0 3 308.466 2.291 20 30 DEEDHN CS[C@H](C)CC(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001321031608 1141035345 /nfs/dbraw/zinc/03/53/45/1141035345.db2.gz NLYYVLQOCSEQQP-VQTKUKTRSA-N 0 3 317.458 2.462 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001321173544 1141074581 /nfs/dbraw/zinc/07/45/81/1141074581.db2.gz GNYWOYSHONJKFG-DKRLNXSXSA-N 0 3 314.429 2.185 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1cc2cccc(C)c2o1 ZINC001321757228 1141338630 /nfs/dbraw/zinc/33/86/30/1141338630.db2.gz ZGCJQLZPXNTBNN-CQSZACIVSA-N 0 3 314.385 2.099 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H](CNCc2cnc(C)nc2)C2CC2)C1 ZINC001323062469 1141807733 /nfs/dbraw/zinc/80/77/33/1141807733.db2.gz IGYVCCMAJABEII-MRXNPFEDSA-N 0 3 314.433 2.126 20 30 DEEDHN Cc1nocc1C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1 ZINC001323066888 1141808078 /nfs/dbraw/zinc/80/80/78/1141808078.db2.gz PKGDCTWZFUVZRR-GOSISDBHSA-N 0 3 323.396 2.133 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nccn2C)[C@H](CC)C1 ZINC001323141839 1141817464 /nfs/dbraw/zinc/81/74/64/1141817464.db2.gz FQRQHSQDLMQDJX-CVEARBPZSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCOCC(C)C)C1 ZINC001323637689 1141872594 /nfs/dbraw/zinc/87/25/94/1141872594.db2.gz MMADLGYQABHWRU-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001323673306 1141875663 /nfs/dbraw/zinc/87/56/63/1141875663.db2.gz PCGPMVOXOBIICV-OLZOCXBDSA-N 0 3 306.435 2.183 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc4c(c3)OCCC4=O)no2)CCCN1 ZINC001249353893 1141877567 /nfs/dbraw/zinc/87/75/67/1141877567.db2.gz XFKVYQPAANEHAZ-GOSISDBHSA-N 0 3 323.352 2.304 20 30 DEEDHN CCC1(C(=O)N2CCC3(C2)CCN(CC#CCOC)CC3)CC1 ZINC001323830691 1141890385 /nfs/dbraw/zinc/89/03/85/1141890385.db2.gz AFVBMLVWBXXTSC-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2nccnc2C)C[C@@H]1C ZINC001324057591 1141989030 /nfs/dbraw/zinc/98/90/30/1141989030.db2.gz ROWDJKLSHQOFJQ-HOCLYGCPSA-N 0 3 314.433 2.058 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001324156059 1142017925 /nfs/dbraw/zinc/01/79/25/1142017925.db2.gz ROOLILQYRBXCGD-LJQANCHMSA-N 0 3 306.409 2.032 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001324213633 1142032717 /nfs/dbraw/zinc/03/27/17/1142032717.db2.gz PIFXXDWJMCQPET-HOCLYGCPSA-N 0 3 304.438 2.103 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@H](CC)CCC)C2)CC1 ZINC001324353801 1142061353 /nfs/dbraw/zinc/06/13/53/1142061353.db2.gz WXXVFDCUBLHFFD-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C(=O)CCC(C)C)C1CCN(CCOCC)CC1 ZINC001324364853 1142062242 /nfs/dbraw/zinc/06/22/42/1142062242.db2.gz LRZYHFPISILHOO-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN N#Cc1cncc(CNC[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC001250690670 1142267758 /nfs/dbraw/zinc/26/77/58/1142267758.db2.gz IISHHPIAMWIFII-OAHLLOKOSA-N 0 3 317.776 2.136 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(F)cc2F)cc1 ZINC001250837115 1142332169 /nfs/dbraw/zinc/33/21/69/1142332169.db2.gz CEXZBCVLQYEPHA-OAHLLOKOSA-N 0 3 318.323 2.366 20 30 DEEDHN C#CCOC[C@H](O)CN(C)Cc1ccccc1C(F)(F)F ZINC001251851074 1142521480 /nfs/dbraw/zinc/52/14/80/1142521480.db2.gz CWLQHJQWKVVEGU-CYBMUJFWSA-N 0 3 301.308 2.148 20 30 DEEDHN CC1(C)Nc2ccccc2[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC001337086208 1142679779 /nfs/dbraw/zinc/67/97/79/1142679779.db2.gz BQJUJPLMUHSRCH-UKRRQHHQSA-N 0 3 300.406 2.459 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](N[C@@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC001278666574 1142716562 /nfs/dbraw/zinc/71/65/62/1142716562.db2.gz DKXPQGOCFUXIDV-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN C=CCC[C@@H](O)CN1CCCn2cnc(Cn3cccc3)c2C1 ZINC001252597912 1142777577 /nfs/dbraw/zinc/77/75/77/1142777577.db2.gz GNZZDKPUGVIDQI-MRXNPFEDSA-N 0 3 314.433 2.266 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001252604514 1142785763 /nfs/dbraw/zinc/78/57/63/1142785763.db2.gz SMVKOPKVJRIYQC-IAGOWNOFSA-N 0 3 314.429 2.434 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)[C@H](C)C2CCCC2)CC1(C)C ZINC001278676323 1142804614 /nfs/dbraw/zinc/80/46/14/1142804614.db2.gz DTXRLBHSUHCEGE-WBVHZDCISA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](Cc1ccccc1)c1ccccn1 ZINC001338436820 1142856136 /nfs/dbraw/zinc/85/61/36/1142856136.db2.gz RKOONEPTHKXYEC-SFHVURJKSA-N 0 3 307.397 2.095 20 30 DEEDHN C=CCCCCCC[C@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC001253242191 1142856894 /nfs/dbraw/zinc/85/68/94/1142856894.db2.gz IFOXDYACDKEFNL-KRWDZBQOSA-N 0 3 312.498 2.262 20 30 DEEDHN C=CCCCCCC[C@H](O)CN[C@@H](CC(C)C)C(=O)NO ZINC001253256607 1142857703 /nfs/dbraw/zinc/85/77/03/1142857703.db2.gz CKTSWAWYRMCIED-GJZGRUSLSA-N 0 3 300.443 2.384 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@H](C#N)C1 ZINC001339068263 1142911574 /nfs/dbraw/zinc/91/15/74/1142911574.db2.gz KVPMMBGCGUDLPS-HUUCEWRRSA-N 0 3 314.437 2.013 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C1CC(NC(=O)CN(C)C(C)C)C1 ZINC001339255840 1142999074 /nfs/dbraw/zinc/99/90/74/1142999074.db2.gz WRAOEOIKCHGRQV-UHFFFAOYSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC001339883669 1143158872 /nfs/dbraw/zinc/15/88/72/1143158872.db2.gz JOKMFGSJMXXDKL-AWEZNQCLSA-N 0 3 318.417 2.493 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC(NC(C)=O)CC1 ZINC001340014005 1143233862 /nfs/dbraw/zinc/23/38/62/1143233862.db2.gz LQSVZFWXOVNNNH-MRXNPFEDSA-N 0 3 311.470 2.191 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC001340032509 1143242185 /nfs/dbraw/zinc/24/21/85/1143242185.db2.gz CSAKYGQFUZSAGQ-LSDHHAIUSA-N 0 3 321.469 2.095 20 30 DEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)C1 ZINC001254678207 1143309697 /nfs/dbraw/zinc/30/96/97/1143309697.db2.gz ZGYMNNKLLMXDPS-UNEWFSDZSA-N 0 3 313.401 2.321 20 30 DEEDHN C=C[C@H](COC)NCc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC001255018071 1143384948 /nfs/dbraw/zinc/38/49/48/1143384948.db2.gz AJUOKXGQVJDBFH-OAHLLOKOSA-N 0 3 307.390 2.146 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC001340721026 1143409925 /nfs/dbraw/zinc/40/99/25/1143409925.db2.gz SPRIJGSYEUQXCY-HOTGVXAUSA-N 0 3 321.469 2.205 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(=O)NCC)sc1C ZINC001340772022 1143436598 /nfs/dbraw/zinc/43/65/98/1143436598.db2.gz YGHLLDXFVGGAGV-LLVKDONJSA-N 0 3 309.435 2.428 20 30 DEEDHN CC[C@@H](CC#N)N1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255169528 1143462696 /nfs/dbraw/zinc/46/26/96/1143462696.db2.gz GHYMOLRTCLUZQK-FUHWJXTLSA-N 0 3 312.417 2.198 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@H]1OCCc2ccccc21 ZINC001341329650 1143583994 /nfs/dbraw/zinc/58/39/94/1143583994.db2.gz WQJSOEDQEFVNMN-DLBZAZTESA-N 0 3 302.418 2.490 20 30 DEEDHN COc1c(Cl)cccc1CNC(=O)[C@@H](N)CCCCC#N ZINC001341427460 1143599372 /nfs/dbraw/zinc/59/93/72/1143599372.db2.gz CFFFHVFXVWELMI-ZDUSSCGKSA-N 0 3 309.797 2.376 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC001341553724 1143628187 /nfs/dbraw/zinc/62/81/87/1143628187.db2.gz UJHOHQQEUNEXAC-KRWDZBQOSA-N 0 3 317.433 2.270 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(OC)cn1 ZINC001342183110 1143801758 /nfs/dbraw/zinc/80/17/58/1143801758.db2.gz JFODJVLTCZBSRK-ZBFHGGJFSA-N 0 3 303.406 2.437 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)CC(F)(F)F ZINC001342254040 1143806658 /nfs/dbraw/zinc/80/66/58/1143806658.db2.gz SNMWADFNGLUVMG-LLVKDONJSA-N 0 3 317.359 2.272 20 30 DEEDHN C=CC[C@@H]1NC(=O)N([C@H]2CN(Cc3ccccc3)C[C@H]2C)C1=O ZINC001255833245 1143809835 /nfs/dbraw/zinc/80/98/35/1143809835.db2.gz PNGVJLBPICIHJW-KBMXLJTQSA-N 0 3 313.401 2.003 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001342466508 1143819205 /nfs/dbraw/zinc/81/92/05/1143819205.db2.gz BOVKIVPIJLJNTA-OWCLPIDISA-N 0 3 323.481 2.191 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cncc2[nH]ccc21)C(C)C ZINC001278912241 1143830216 /nfs/dbraw/zinc/83/02/16/1143830216.db2.gz MZTRDPTXTXMLSQ-UHFFFAOYSA-N 0 3 312.417 2.369 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001256283641 1143840104 /nfs/dbraw/zinc/84/01/04/1143840104.db2.gz SHICNFKKLVPNRP-UHFFFAOYSA-N 0 3 322.384 2.326 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN([C@H](C)Cc2ccccn2)C1 ZINC001256424342 1143848179 /nfs/dbraw/zinc/84/81/79/1143848179.db2.gz VFIDWAFGEHCFFL-ZBFHGGJFSA-N 0 3 303.406 2.389 20 30 DEEDHN C=CCN1CC[C@H](NC[C@H](NC(=O)CCCC)C(C)(C)C)C1=O ZINC001278938740 1143849704 /nfs/dbraw/zinc/84/97/04/1143849704.db2.gz CHALXTPYKZCFCE-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 ZINC001278941682 1143851139 /nfs/dbraw/zinc/85/11/39/1143851139.db2.gz APNRYIISXZQWOR-ULQDDVLXSA-N 0 3 306.450 2.186 20 30 DEEDHN CC[C@@H](Cc1ccccc1)N1CCN(c2nccnc2C#N)CC1 ZINC001258852186 1144046693 /nfs/dbraw/zinc/04/66/93/1144046693.db2.gz ZWJOCPOEWARLER-KRWDZBQOSA-N 0 3 321.428 2.492 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccncc2)C1 ZINC001261695893 1144268641 /nfs/dbraw/zinc/26/86/41/1144268641.db2.gz SEMSVKWCZXBADO-ROUUACIJSA-N 0 3 311.429 2.422 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC001263079022 1144353770 /nfs/dbraw/zinc/35/37/70/1144353770.db2.gz CNALJDFKSDWEGL-CQSZACIVSA-N 0 3 304.390 2.148 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC001263097525 1144355855 /nfs/dbraw/zinc/35/58/55/1144355855.db2.gz ZYXJVUWGMMCQRL-QGZVFWFLSA-N 0 3 317.433 2.141 20 30 DEEDHN CC[C@@H](NC(=O)C(C#N)C(=O)COC1CC1)c1ccccc1 ZINC001263479749 1144377060 /nfs/dbraw/zinc/37/70/60/1144377060.db2.gz IFJXTDQVVIFERP-LSDHHAIUSA-N 0 3 300.358 2.142 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1cn(C)nc1-c1ccoc1 ZINC001263616923 1144383448 /nfs/dbraw/zinc/38/34/48/1144383448.db2.gz NSAMHHVYTHCVII-LBPRGKRZSA-N 0 3 309.329 2.387 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001263840238 1144408303 /nfs/dbraw/zinc/40/83/03/1144408303.db2.gz AJOZNXDXZMBLKA-BEAPCOKYSA-N 0 3 319.453 2.261 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCCCN(C(=O)/C(C)=C/C)C1 ZINC001264117556 1144472463 /nfs/dbraw/zinc/47/24/63/1144472463.db2.gz ZZVDVAVZSMDRCO-ILYXUJSMSA-N 0 3 321.465 2.004 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001264184708 1144499235 /nfs/dbraw/zinc/49/92/35/1144499235.db2.gz ZAVWGUWCEKAOAK-INIZCTEOSA-N 0 3 317.433 2.462 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001264184078 1144499949 /nfs/dbraw/zinc/49/99/49/1144499949.db2.gz DMWKKXLPTQMROZ-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CCCN(CC#CC)[C@H]2C1(C)C ZINC001264586363 1144572121 /nfs/dbraw/zinc/57/21/21/1144572121.db2.gz ORYYABLHQLXRGF-KBAYOESNSA-N 0 3 300.446 2.418 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2)[C@H]1CC ZINC001264612635 1144578049 /nfs/dbraw/zinc/57/80/49/1144578049.db2.gz DIXMVVZVOAIXIY-JKSUJKDBSA-N 0 3 315.417 2.170 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H](C)CCC)C1 ZINC001264673602 1144589403 /nfs/dbraw/zinc/58/94/03/1144589403.db2.gz RHCYHZVMWPMZBM-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCCC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001264679492 1144591336 /nfs/dbraw/zinc/59/13/36/1144591336.db2.gz GASOHBCEFJZKGI-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN1CC[C@H](NC(=O)[C@@H]2CC23CC3)CC(C)(C)C1 ZINC001264753954 1144606934 /nfs/dbraw/zinc/60/69/34/1144606934.db2.gz SFAZBBAHIUIQJZ-HOTGVXAUSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(CCOC)CCC2)CC(C)(C)C1 ZINC001264754929 1144608162 /nfs/dbraw/zinc/60/81/62/1144608162.db2.gz BJGYLCGXISKTRF-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001265060185 1144635300 /nfs/dbraw/zinc/63/53/00/1144635300.db2.gz YVQRXTYHKGEZKT-UHFFFAOYSA-N 0 3 301.434 2.200 20 30 DEEDHN O=C(CC#Cc1ccccc1)N[C@@H]1CCCN(CCCF)C1 ZINC001265235397 1144674226 /nfs/dbraw/zinc/67/42/26/1144674226.db2.gz OLCLTNWAEGZQKL-QGZVFWFLSA-N 0 3 302.393 2.368 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001265312911 1144690870 /nfs/dbraw/zinc/69/08/70/1144690870.db2.gz XEGKERUERBSCFE-OKZBNKHCSA-N 0 3 314.429 2.183 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](NCc2cnn(C)c2)C2CC2)CCC1 ZINC001265369560 1144699116 /nfs/dbraw/zinc/69/91/16/1144699116.db2.gz AEPJANVTBVNOSP-MRXNPFEDSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001265497629 1144707219 /nfs/dbraw/zinc/70/72/19/1144707219.db2.gz QWNMKIJLVCNLDQ-HDJSIYSDSA-N 0 3 302.422 2.124 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001265592427 1144715983 /nfs/dbraw/zinc/71/59/83/1144715983.db2.gz BAXIEHJDYBAANB-GJZGRUSLSA-N 0 3 302.393 2.391 20 30 DEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC001265642881 1144720972 /nfs/dbraw/zinc/72/09/72/1144720972.db2.gz BNTCAMWGPUJDKI-KBOKABMXSA-N 0 3 317.433 2.201 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccn(C(C)C)n1 ZINC001265648720 1144722708 /nfs/dbraw/zinc/72/27/08/1144722708.db2.gz DWQUWHNMURTDSL-MRXNPFEDSA-N 0 3 304.438 2.163 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001265654570 1144722865 /nfs/dbraw/zinc/72/28/65/1144722865.db2.gz XPQKKBXQCSQEPS-HZPDHXFCSA-N 0 3 302.418 2.452 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCc1cnn(C)c1 ZINC001265684016 1144727343 /nfs/dbraw/zinc/72/73/43/1144727343.db2.gz MRQJPCLHJOFEEX-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)N[C@H](C)C(=O)N1CCCCCC1 ZINC001265816154 1144743644 /nfs/dbraw/zinc/74/36/44/1144743644.db2.gz PUNONNPCOZTNDN-JKSUJKDBSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)NC[C@@H](F)CC)CCOCC1 ZINC001265856713 1144748065 /nfs/dbraw/zinc/74/80/65/1144748065.db2.gz RHZNLSXNVINLQL-KGLIPLIRSA-N 0 3 300.418 2.202 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001265936742 1144763508 /nfs/dbraw/zinc/76/35/08/1144763508.db2.gz GIODRPVOFMDMLR-ZWKOTPCHSA-N 0 3 314.429 2.260 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2csc(CC(C)C)n2)C1 ZINC001265949510 1144766323 /nfs/dbraw/zinc/76/63/23/1144766323.db2.gz QNFDDNJACHOFIG-ZDUSSCGKSA-N 0 3 305.447 2.169 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC001266052085 1144800781 /nfs/dbraw/zinc/80/07/81/1144800781.db2.gz OYEMYEBJOKMEFD-ZIAGYGMSSA-N 0 3 323.462 2.171 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](OC)C2CCCC2)C1 ZINC001266116114 1144806995 /nfs/dbraw/zinc/80/69/95/1144806995.db2.gz FPYJOLQUMBRAGN-IAGOWNOFSA-N 0 3 306.450 2.138 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ncoc1C(C)C)C1CC1 ZINC001266168806 1144811455 /nfs/dbraw/zinc/81/14/55/1144811455.db2.gz FVBDCYPORYOPOI-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC001266214023 1144815021 /nfs/dbraw/zinc/81/50/21/1144815021.db2.gz AHQIMLSFSRXLLD-DLBZAZTESA-N 0 3 306.450 2.330 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2c[nH]nc2C)cc1 ZINC001280354031 1144836283 /nfs/dbraw/zinc/83/62/83/1144836283.db2.gz HJTVNXNBBUYVNW-ZDUSSCGKSA-N 0 3 310.401 2.322 20 30 DEEDHN CC[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001280392251 1144837821 /nfs/dbraw/zinc/83/78/21/1144837821.db2.gz VDSWMBOEJIHAQU-IAGOWNOFSA-N 0 3 320.477 2.243 20 30 DEEDHN C#CCNC1(CNC(=O)c2nc(Cl)sc2Cl)CCC1 ZINC001280497810 1144842900 /nfs/dbraw/zinc/84/29/00/1144842900.db2.gz VZSRVQZBLRGEBB-UHFFFAOYSA-N 0 3 318.229 2.325 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001316604037 1144844037 /nfs/dbraw/zinc/84/40/37/1144844037.db2.gz DGZUZAKIYHMUMZ-SWLSCSKDSA-N 0 3 304.438 2.239 20 30 DEEDHN COCC#CCNC1(CNC(=O)c2cccc(C)c2C)CCC1 ZINC001280536321 1144844427 /nfs/dbraw/zinc/84/44/27/1144844427.db2.gz OSJGORNWZUNWJH-UHFFFAOYSA-N 0 3 314.429 2.195 20 30 DEEDHN CC#CCNC1(CNC(=O)CCOc2ccccc2C)CCC1 ZINC001280545089 1144844727 /nfs/dbraw/zinc/84/47/27/1144844727.db2.gz JHHJVXSXFCBNKJ-UHFFFAOYSA-N 0 3 314.429 2.416 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@H](NC(=O)C#CC3CC3)CC2)c1 ZINC001280732579 1144851558 /nfs/dbraw/zinc/85/15/58/1144851558.db2.gz AWJKAQNNDVWAQJ-IBGZPJMESA-N 0 3 321.424 2.442 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1ccc(C)cc1 ZINC001280880900 1144861147 /nfs/dbraw/zinc/86/11/47/1144861147.db2.gz MPLDOXKSVBLSAC-UHFFFAOYSA-N 0 3 302.418 2.039 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001281167011 1144875675 /nfs/dbraw/zinc/87/56/75/1144875675.db2.gz IKPQCTJDEQSYCM-VQIMIIECSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCC(=O)N(CCN(C)C(=O)C1(N(C)C)CCC1)C(C)C ZINC001281286551 1144880819 /nfs/dbraw/zinc/88/08/19/1144880819.db2.gz WDQVCEJRGJXPED-UHFFFAOYSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001316610346 1144885521 /nfs/dbraw/zinc/88/55/21/1144885521.db2.gz IKBSLKANAHSUEY-HIFRSBDPSA-N 0 3 319.453 2.107 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)COc1ccc(F)c(F)c1 ZINC001316610452 1144885951 /nfs/dbraw/zinc/88/59/51/1144885951.db2.gz JGANCPHNQODBIN-CYBMUJFWSA-N 0 3 324.371 2.452 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccccc2F)C[C@@H]1C ZINC001281684266 1144907386 /nfs/dbraw/zinc/90/73/86/1144907386.db2.gz JSNQQSPZAJOFDJ-LSDHHAIUSA-N 0 3 318.392 2.197 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001281808785 1144914910 /nfs/dbraw/zinc/91/49/10/1144914910.db2.gz RIIRZTSGSLPTLZ-HZPDHXFCSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ncc(C)cc1OC ZINC001281943284 1144921634 /nfs/dbraw/zinc/92/16/34/1144921634.db2.gz YAWYXWADZQKZLW-CQSZACIVSA-N 0 3 303.406 2.121 20 30 DEEDHN Cc1ccc(C(=O)N[C@H](C)[C@H](C)NCC#Cc2ccccc2)n1C ZINC001282096032 1144975127 /nfs/dbraw/zinc/97/51/27/1144975127.db2.gz NYPZZTCOFUIUBL-DLBZAZTESA-N 0 3 323.440 2.482 20 30 DEEDHN COCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001282097798 1144975215 /nfs/dbraw/zinc/97/52/15/1144975215.db2.gz NDXRCELZOCSFAF-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@H](C)[C@@H](C)NC(=O)C#CC1CC1 ZINC001282128174 1144991390 /nfs/dbraw/zinc/99/13/90/1144991390.db2.gz HPIGPYZJAOHXIX-ZIAGYGMSSA-N 0 3 316.449 2.169 20 30 DEEDHN Cc1ncc(CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)s1 ZINC001282129748 1144995601 /nfs/dbraw/zinc/99/56/01/1144995601.db2.gz UHLZWUAQSKFXOL-NWDGAFQWSA-N 0 3 307.463 2.484 20 30 DEEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ccnn2C)CCC1 ZINC001282185014 1145009052 /nfs/dbraw/zinc/00/90/52/1145009052.db2.gz MOTNKHDYCBWLLC-ZIAGYGMSSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NCc2ccnn2C)CC1 ZINC001282185744 1145009206 /nfs/dbraw/zinc/00/92/06/1145009206.db2.gz QOHPLTBBMSBARS-KGLIPLIRSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001282317594 1145035710 /nfs/dbraw/zinc/03/57/10/1145035710.db2.gz GFYHSRZEBMIDSJ-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001282390476 1145057339 /nfs/dbraw/zinc/05/73/39/1145057339.db2.gz YIBOSTGEGOVREC-GFCCVEGCSA-N 0 3 300.358 2.029 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cc2ccccn2c1 ZINC001282468008 1145075004 /nfs/dbraw/zinc/07/50/04/1145075004.db2.gz 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/nfs/dbraw/zinc/20/12/87/1145201287.db2.gz UUZAHGWFWJTTFF-DZGCQCFKSA-N 0 3 323.462 2.205 20 30 DEEDHN C=CCCCC(=O)N1CCO[C@H]([C@@H](C)NCc2cncs2)C1 ZINC001282916693 1145201360 /nfs/dbraw/zinc/20/13/60/1145201360.db2.gz UUZAHGWFWJTTFF-HIFRSBDPSA-N 0 3 323.462 2.205 20 30 DEEDHN CC(C)C#CC(=O)N1CC2(C1)CCCN(CCOCC(C)C)C2 ZINC001282965646 1145218127 /nfs/dbraw/zinc/21/81/27/1145218127.db2.gz UNAGSXUCKXQLEP-UHFFFAOYSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@H](C)C(=O)N[C@H](C)CC)CC1 ZINC001283297008 1145349516 /nfs/dbraw/zinc/34/95/16/1145349516.db2.gz SDAXHKUBDCVQHO-HUUCEWRRSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)[C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC001283297434 1145351027 /nfs/dbraw/zinc/35/10/27/1145351027.db2.gz ZOUWAUMPYSWNLX-AWEZNQCLSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cn(C(C)(C)C)nc1C ZINC001283608821 1145543285 /nfs/dbraw/zinc/54/32/85/1145543285.db2.gz VQHKYPUOGVRFBE-ZDUSSCGKSA-N 0 3 304.438 2.020 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001283723275 1145617446 /nfs/dbraw/zinc/61/74/46/1145617446.db2.gz OMFAXTUSHZLBGX-GJZGRUSLSA-N 0 3 304.409 2.464 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](CO)NCc1ccc2ccccc2c1 ZINC001283757540 1145632228 /nfs/dbraw/zinc/63/22/28/1145632228.db2.gz UJVQRGZCICMMMP-LJQANCHMSA-N 0 3 324.424 2.066 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CO)NCc2ccccc2C)CC1 ZINC001283804713 1145651995 /nfs/dbraw/zinc/65/19/95/1145651995.db2.gz SABDQZOHBKKQDY-SFHVURJKSA-N 0 3 316.445 2.308 20 30 DEEDHN CCOCCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001283864445 1145677067 /nfs/dbraw/zinc/67/70/67/1145677067.db2.gz FEHZQPVSPHCGDV-AEFFLSMTSA-N 0 3 314.429 2.044 20 30 DEEDHN C[C@H]1C[C@H](NCC#Cc2ccccc2)CN1C(=O)c1cccnc1 ZINC001283945401 1145721653 /nfs/dbraw/zinc/72/16/53/1145721653.db2.gz IDVSFNGHOJWEST-LPHOPBHVSA-N 0 3 319.408 2.326 20 30 DEEDHN C#CCN1CCC[C@@H](NC(=O)CN(C)CCCCCC)[C@H]1C ZINC001284130211 1145804731 /nfs/dbraw/zinc/80/47/31/1145804731.db2.gz 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C=CCCC(=O)N1CC[C@](C)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001286106096 1146424601 /nfs/dbraw/zinc/42/46/01/1146424601.db2.gz VFDVDYVFPSVKKY-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NC1CC(N(C)C(=O)CN(CC)CC)C1 ZINC001288315814 1146793134 /nfs/dbraw/zinc/79/31/34/1146793134.db2.gz RZKZMZVBLJKDLM-FHERZECASA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@@H]1CC ZINC001290464073 1146836764 /nfs/dbraw/zinc/83/67/64/1146836764.db2.gz BJVNEJSWCJVSLJ-XHSDSOJGSA-N 0 3 323.481 2.179 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC001491944923 1147011513 /nfs/dbraw/zinc/01/15/13/1147011513.db2.gz UWYPIZYZDJAEBL-AWEZNQCLSA-N 0 3 301.390 2.112 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)CCc1ccccc1Cl ZINC001492237743 1147178019 /nfs/dbraw/zinc/17/80/19/1147178019.db2.gz ZMMARLAOTLGYBJ-QGZVFWFLSA-N 0 3 324.852 2.258 20 30 DEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1cc(F)cc(F)c1 ZINC001366264763 1147180621 /nfs/dbraw/zinc/18/06/21/1147180621.db2.gz 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C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001316947497 1147637015 /nfs/dbraw/zinc/63/70/15/1147637015.db2.gz MKXHIXFPYJNCTR-HZPDHXFCSA-N 0 3 304.438 2.299 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)c2sc(C)cc2C)CC1 ZINC001316965203 1147640252 /nfs/dbraw/zinc/64/02/52/1147640252.db2.gz UJHHSUYLNYGAEM-UHFFFAOYSA-N 0 3 321.490 2.288 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001316995745 1147646296 /nfs/dbraw/zinc/64/62/96/1147646296.db2.gz DNYUUEVSLTYEMN-MFOKFAIFSA-N 0 3 312.841 2.037 20 30 DEEDHN CCC(C)(C)CC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001316998366 1147646916 /nfs/dbraw/zinc/64/69/16/1147646916.db2.gz MZKSPYMEWCRYHI-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001317003426 1147647351 /nfs/dbraw/zinc/64/73/51/1147647351.db2.gz WCEYTLBHYLCYDC-INIZCTEOSA-N 0 3 318.461 2.209 20 30 DEEDHN C#CCCCC(=O)NC[C@H](NCc1scnc1C)C1CC1 ZINC001317011126 1147647866 /nfs/dbraw/zinc/64/78/66/1147647866.db2.gz 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C[C@](O)(CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000330041553 539933206 /nfs/dbraw/zinc/93/32/06/539933206.db2.gz DBRDKUMQENEVCY-YOEHRIQHSA-N 0 3 309.454 2.058 20 30 DEEDHN CN(C(=O)CNC(=O)CC1CCN(C)CC1)C1CCCCC1 ZINC000330131702 539934117 /nfs/dbraw/zinc/93/41/17/539934117.db2.gz LAJPPEWMZHACQJ-UHFFFAOYSA-N 0 3 309.454 2.466 20 30 DEEDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000312678249 295852561 /nfs/dbraw/zinc/85/25/61/295852561.db2.gz KLCKANUBRSREJO-JTQLQIEISA-N 0 3 315.826 2.007 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000595537658 358476983 /nfs/dbraw/zinc/47/69/83/358476983.db2.gz FAMUPWWXMGGGNO-XJKSGUPXSA-N 0 3 300.406 2.403 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c(F)c1 ZINC000331983213 234350668 /nfs/dbraw/zinc/35/06/68/234350668.db2.gz SVKOWSSTUVQJSI-DJIMGWMZSA-N 0 3 304.365 2.059 20 30 DEEDHN CCCCN(CCCO)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000182141177 199392243 /nfs/dbraw/zinc/39/22/43/199392243.db2.gz QKAXZUMLSIZCRW-KRWDZBQOSA-N 0 3 315.417 2.148 20 30 DEEDHN CN(CCNC(=O)COc1ccc(C#N)cc1)Cc1ccccc1 ZINC000053348866 354430268 /nfs/dbraw/zinc/43/02/68/354430268.db2.gz RFYLYVOAVCPUSM-UHFFFAOYSA-N 0 3 323.396 2.185 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2cc(-c3ccccc3)no2)CC1 ZINC000057170829 354559732 /nfs/dbraw/zinc/55/97/32/354559732.db2.gz SCOUVPYAKPZQTR-UHFFFAOYSA-N 0 3 323.396 2.303 20 30 DEEDHN CO/N=C/c1ccc(C(=O)NCCN2CCC(C)CC2)cc1 ZINC000057213324 354562278 /nfs/dbraw/zinc/56/22/78/354562278.db2.gz SCAPFVJTFQCENI-CPNJWEJPSA-N 0 3 303.406 2.129 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccncc1 ZINC000065931193 354694936 /nfs/dbraw/zinc/69/49/36/354694936.db2.gz NMPLVXPPFQDEEI-UHFFFAOYSA-N 0 3 308.385 2.157 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2nc3ccccc3[nH]2)CC1 ZINC000066515552 354719919 /nfs/dbraw/zinc/71/99/19/354719919.db2.gz SJJVOYFMCBFMRS-HNNXBMFYSA-N 0 3 324.428 2.475 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000068919140 354839153 /nfs/dbraw/zinc/83/91/53/354839153.db2.gz VQCAJTSQDWAYIL-UHFFFAOYSA-N 0 3 322.412 2.215 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC#N ZINC000072789987 354920530 /nfs/dbraw/zinc/92/05/30/354920530.db2.gz OWESWYFKHYIAIL-UHFFFAOYSA-N 0 3 305.451 2.498 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(OC)CC1 ZINC000073182504 354946658 /nfs/dbraw/zinc/94/66/58/354946658.db2.gz SGYMYNSVPSDXRM-INIZCTEOSA-N 0 3 305.418 2.266 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC2(C1)CCOCC2 ZINC000076158464 355131240 /nfs/dbraw/zinc/13/12/40/355131240.db2.gz GKVUMLGCNOOKOG-UHFFFAOYSA-N 0 3 316.401 2.448 20 30 DEEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C#N ZINC000078557779 355266955 /nfs/dbraw/zinc/26/69/55/355266955.db2.gz DEENPKKNBHLVHT-CYBMUJFWSA-N 0 3 305.451 2.497 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000347050955 283103331 /nfs/dbraw/zinc/10/33/31/283103331.db2.gz JFIUWRRUYIGSKP-GJZGRUSLSA-N 0 3 321.465 2.464 20 30 DEEDHN C=CCN1CCC(NC(=O)CCSc2ccccn2)CC1 ZINC000087318092 355507849 /nfs/dbraw/zinc/50/78/49/355507849.db2.gz XJCPZQCJCQBESJ-UHFFFAOYSA-N 0 3 305.447 2.330 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000171640930 356003641 /nfs/dbraw/zinc/00/36/41/356003641.db2.gz ZJPMTFJWLHLCAW-UHFFFAOYSA-N 0 3 301.394 2.126 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000182294544 356118976 /nfs/dbraw/zinc/11/89/76/356118976.db2.gz VEGNYWKLUPGDTG-HOCLYGCPSA-N 0 3 300.406 2.282 20 30 DEEDHN CC[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000182326698 356121226 /nfs/dbraw/zinc/12/12/26/356121226.db2.gz NKJBRIXNVNGNNU-DLBZAZTESA-N 0 3 315.417 2.480 20 30 DEEDHN N#CC[C@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000595610234 358500319 /nfs/dbraw/zinc/50/03/19/358500319.db2.gz UKPNAZAVOJUUEZ-GDBMZVCRSA-N 0 3 306.381 2.329 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000182808710 356146787 /nfs/dbraw/zinc/14/67/87/356146787.db2.gz AKIIPDHTRLNLHP-HOTGVXAUSA-N 0 3 314.433 2.452 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000279268571 283149446 /nfs/dbraw/zinc/14/94/46/283149446.db2.gz IXSUQTRILUVKGR-BRWVUGGUSA-N 0 3 309.369 2.020 20 30 DEEDHN CC(C)SCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000312851542 356413687 /nfs/dbraw/zinc/41/36/87/356413687.db2.gz XTAYKCWFWWTOIS-UHFFFAOYSA-N 0 3 312.460 2.063 20 30 DEEDHN CSC1(CNC(=O)N2CCC[C@H](CC#N)C2)CCN(C)CC1 ZINC000595634204 358508418 /nfs/dbraw/zinc/50/84/18/358508418.db2.gz GAIUNNBFVNKWNP-CQSZACIVSA-N 0 3 324.494 2.149 20 30 DEEDHN C[C@@H]1CCN(c2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000383107199 356678815 /nfs/dbraw/zinc/67/88/15/356678815.db2.gz JPSPGBYGCAJRCK-OAHLLOKOSA-N 0 3 307.401 2.449 20 30 DEEDHN C=C[C@@H](NCC1(N(C)Cc2ccccc2)CCC1)C(=O)OC ZINC000386787789 356699449 /nfs/dbraw/zinc/69/94/49/356699449.db2.gz NSPFKAZJVKGURX-MRXNPFEDSA-N 0 3 302.418 2.358 20 30 DEEDHN COc1ccc([C@@H](CNc2ncncc2C#N)N2CCCC2)cc1 ZINC000578352184 356803058 /nfs/dbraw/zinc/80/30/58/356803058.db2.gz INHAMOFFZBCZCG-QGZVFWFLSA-N 0 3 323.400 2.028 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000578509699 356828606 /nfs/dbraw/zinc/82/86/06/356828606.db2.gz AVFWMUOLZHVNJY-CQSZACIVSA-N 0 3 317.433 2.449 20 30 DEEDHN C[C@@H](CNC(=O)NCC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000578947288 356893580 /nfs/dbraw/zinc/89/35/80/356893580.db2.gz WTWXCZJPVWZALZ-AWEZNQCLSA-N 0 3 300.406 2.110 20 30 DEEDHN COc1cc(F)cc2sc(NC(=O)[C@@H](N)CCCC#N)nc21 ZINC000579823154 357036617 /nfs/dbraw/zinc/03/66/17/357036617.db2.gz WJUSTQPQZPEGDQ-VIFPVBQESA-N 0 3 322.365 2.404 20 30 DEEDHN C=CCOc1ccc(CC(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000580813698 357083753 /nfs/dbraw/zinc/08/37/53/357083753.db2.gz UZVQZKISWHVJKF-OAHLLOKOSA-N 0 3 302.418 2.394 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCCS(=O)(=O)C1 ZINC000588231343 357402771 /nfs/dbraw/zinc/40/27/71/357402771.db2.gz DSENGIKJZCJCJY-YOEHRIQHSA-N 0 3 318.442 2.350 20 30 DEEDHN CSC1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCN(C)CC1 ZINC000589628983 357485197 /nfs/dbraw/zinc/48/51/97/357485197.db2.gz IQWFZIGKHUCZFC-HNNXBMFYSA-N 0 3 324.494 2.149 20 30 DEEDHN COCCN(CC#N)Cc1ccc(OCCN2CCCC2)cc1 ZINC000590781248 357611530 /nfs/dbraw/zinc/61/15/30/357611530.db2.gz OOGSRBGXEPDHNB-UHFFFAOYSA-N 0 3 317.433 2.133 20 30 DEEDHN C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000591470887 357728281 /nfs/dbraw/zinc/72/82/81/357728281.db2.gz VKFRNBHNLIXFPB-BBRMVZONSA-N 0 3 300.406 2.355 20 30 DEEDHN CC[C@](C)(CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591374987 357716104 /nfs/dbraw/zinc/71/61/04/357716104.db2.gz JZLHFWVNQRGQNX-FUHWJXTLSA-N 0 3 315.417 2.458 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCSc2c(F)cccc21 ZINC000591241230 357694490 /nfs/dbraw/zinc/69/44/90/357694490.db2.gz PJUFQQJKVAEMPT-IUODEOHRSA-N 0 3 323.437 2.159 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COCc2ccccc2)c(F)c1 ZINC000591733945 357755099 /nfs/dbraw/zinc/75/50/99/357755099.db2.gz PGRQEVLLQXOABZ-KRWDZBQOSA-N 0 3 314.360 2.365 20 30 DEEDHN N#Cc1c2c(cnc1N1CCN(c3ccncc3)CC1)CCC2 ZINC000591817531 357764852 /nfs/dbraw/zinc/76/48/52/357764852.db2.gz JTMYDVSMIZDNFP-UHFFFAOYSA-N 0 3 305.385 2.164 20 30 DEEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000592284968 357860213 /nfs/dbraw/zinc/86/02/13/357860213.db2.gz LVUDIKTUZHRHSH-UHFFFAOYSA-N 0 3 324.384 2.306 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)OC[C@H]2C)CC1 ZINC000660597175 540310259 /nfs/dbraw/zinc/31/02/59/540310259.db2.gz MEKCPBINDVTXNO-OAHLLOKOSA-N 0 3 321.465 2.380 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(OC)c1 ZINC000662082409 540327190 /nfs/dbraw/zinc/32/71/90/540327190.db2.gz ZYLHTUHJAQTFGX-IYBDPMFKSA-N 0 3 300.402 2.494 20 30 DEEDHN CN1CCN(CCCSCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593088897 358005540 /nfs/dbraw/zinc/00/55/40/358005540.db2.gz MZQKJURNWVRKBL-KRWDZBQOSA-N 0 3 303.475 2.492 20 30 DEEDHN C=CCN(C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@@H](C)COC ZINC000665271869 540349342 /nfs/dbraw/zinc/34/93/42/540349342.db2.gz UBQLYKFOHNUCHT-ARFHVFGLSA-N 0 3 309.454 2.236 20 30 DEEDHN Cn1cc(CN2[C@@H]3CC[C@H]2CC(O)C3)c(-c2ccc(C#N)cc2)n1 ZINC000179913772 199093757 /nfs/dbraw/zinc/09/37/57/199093757.db2.gz WILQKYFCELMFME-JWTNVVGKSA-N 0 3 322.412 2.446 20 30 DEEDHN CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1ccc(F)cc1 ZINC000593419815 358073448 /nfs/dbraw/zinc/07/34/48/358073448.db2.gz YKJZCZUTLJBIHV-SMDDNHRTSA-N 0 3 306.337 2.486 20 30 DEEDHN C=CCC[C@@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1ccccc1 ZINC000180049474 199111876 /nfs/dbraw/zinc/11/18/76/199111876.db2.gz JSRVVTXGPMTROQ-CQSZACIVSA-N 0 3 305.378 2.479 20 30 DEEDHN C=CCC[C@@H]([NH2+]CCCOC([O-])=NC(N)=O)c1ccccc1 ZINC000180049474 199111878 /nfs/dbraw/zinc/11/18/78/199111878.db2.gz JSRVVTXGPMTROQ-CQSZACIVSA-N 0 3 305.378 2.479 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)c(OC)c2)C[C@H]1C1CC1 ZINC000593696360 358125436 /nfs/dbraw/zinc/12/54/36/358125436.db2.gz FBNMLYYCWSCGKC-JKSUJKDBSA-N 0 3 314.385 2.198 20 30 DEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cnn1-c1ccc(C)cc1 ZINC000593919503 358172711 /nfs/dbraw/zinc/17/27/11/358172711.db2.gz XDPBPZMFMPIPCA-HNNXBMFYSA-N 0 3 311.389 2.449 20 30 DEEDHN N#Cc1ccccc1OCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594204736 358223802 /nfs/dbraw/zinc/22/38/02/358223802.db2.gz XULXACWALVRUEP-JKSUJKDBSA-N 0 3 313.401 2.070 20 30 DEEDHN N#Cc1cccc(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594209517 358224396 /nfs/dbraw/zinc/22/43/96/358224396.db2.gz QVHXZJZKTRNTFE-DLBZAZTESA-N 0 3 312.417 2.374 20 30 DEEDHN N#Cc1cccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594209520 358224585 /nfs/dbraw/zinc/22/45/85/358224585.db2.gz QVHXZJZKTRNTFE-SJORKVTESA-N 0 3 312.417 2.374 20 30 DEEDHN N#C[C@@]1(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)CCSC1 ZINC000594257275 358234468 /nfs/dbraw/zinc/23/44/68/358234468.db2.gz DGGMYQWOKUDTEX-RDJZCZTQSA-N 0 3 315.442 2.024 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000594270336 358236241 /nfs/dbraw/zinc/23/62/41/358236241.db2.gz AHAMFTPEUZWIJX-QAPCUYQASA-N 0 3 311.429 2.434 20 30 DEEDHN N#CCC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000594284120 358238483 /nfs/dbraw/zinc/23/84/83/358238483.db2.gz SDQOLAYEOCILPY-JKSUJKDBSA-N 0 3 304.438 2.339 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000594445801 358274098 /nfs/dbraw/zinc/27/40/98/358274098.db2.gz MGWTZBMASWMXEB-STQMWFEESA-N 0 3 307.781 2.301 20 30 DEEDHN CCC(C)(C)N1CCN(c2ccc(C(=O)OC)nc2C#N)CC1 ZINC000594590882 358299350 /nfs/dbraw/zinc/29/93/50/358299350.db2.gz HFFHPNCTJSPCAL-UHFFFAOYSA-N 0 3 316.405 2.050 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H](CO)C(C)(C)C)c(C#N)c1C ZINC000180628067 199186828 /nfs/dbraw/zinc/18/68/28/199186828.db2.gz PFEMBPHPVGPAJH-GFCCVEGCSA-N 0 3 309.435 2.172 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000594713913 358324348 /nfs/dbraw/zinc/32/43/48/358324348.db2.gz JMLOVGXSDIMMFQ-JZXOWHBKSA-N 0 3 300.402 2.367 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(Cl)c(Cl)c1 ZINC000594732442 358327748 /nfs/dbraw/zinc/32/77/48/358327748.db2.gz KVMFKZAUADEWAN-LBPRGKRZSA-N 0 3 316.232 2.289 20 30 DEEDHN CC(C)(CNCc1ccc(C#N)cc1F)[C@]1(O)CCCOC1 ZINC000594997519 358376094 /nfs/dbraw/zinc/37/60/94/358376094.db2.gz YBWAGDGSJQJTIQ-KRWDZBQOSA-N 0 3 306.381 2.355 20 30 DEEDHN N#CCN1CCC(NCc2cccc(OC3CC3)c2F)CC1 ZINC000594927405 358360654 /nfs/dbraw/zinc/36/06/54/358360654.db2.gz VCCWUCQHDHRUKF-UHFFFAOYSA-N 0 3 303.381 2.444 20 30 DEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000595658083 358514196 /nfs/dbraw/zinc/51/41/96/358514196.db2.gz FNRGYXCEWXSIDR-CABCVRRESA-N 0 3 322.449 2.075 20 30 DEEDHN CCCN1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000595807589 358553348 /nfs/dbraw/zinc/55/33/48/358553348.db2.gz QXKHRVAFYBOLBX-MRXNPFEDSA-N 0 3 300.406 2.184 20 30 DEEDHN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(C#N)cc1 ZINC000338360990 299280612 /nfs/dbraw/zinc/28/06/12/299280612.db2.gz NMCMTHZUMRPWPW-ZDUSSCGKSA-N 0 3 306.431 2.424 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C)[C@@H]1CCO ZINC000595704773 358529226 /nfs/dbraw/zinc/52/92/26/358529226.db2.gz VJBQJMMHGKBZAR-HOCLYGCPSA-N 0 3 318.417 2.429 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(C#N)n1 ZINC000596936200 358790778 /nfs/dbraw/zinc/79/07/78/358790778.db2.gz VUAJYUVEOAZFAT-CYBMUJFWSA-N 0 3 301.394 2.195 20 30 DEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000597606826 358961582 /nfs/dbraw/zinc/96/15/82/358961582.db2.gz ZEAAWRMYQTWVAH-MRXNPFEDSA-N 0 3 314.433 2.181 20 30 DEEDHN COc1ccc([C@H](CCO)NC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598600216 359256551 /nfs/dbraw/zinc/25/65/51/359256551.db2.gz IIHWWWWWGSHCJO-ZBFHGGJFSA-N 0 3 306.406 2.009 20 30 DEEDHN CN(C)C(=O)C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598602248 359257735 /nfs/dbraw/zinc/25/77/35/359257735.db2.gz MPBUYEOCBDRQTQ-CVEARBPZSA-N 0 3 317.433 2.096 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(Oc2ncccc2F)CC1 ZINC000598613157 359260082 /nfs/dbraw/zinc/26/00/82/359260082.db2.gz GPVNSZNUBGTBGQ-CYBMUJFWSA-N 0 3 321.396 2.365 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN[C@]1(CO)CCCc2ccccc21 ZINC000598621460 359264748 /nfs/dbraw/zinc/26/47/48/359264748.db2.gz WUKGTBTVENFWBG-QAPCUYQASA-N 0 3 302.418 2.101 20 30 DEEDHN COc1cc(NC(=O)NC(C)(C)CN(C)C)c(F)cc1C#N ZINC000599809734 359602423 /nfs/dbraw/zinc/60/24/23/359602423.db2.gz MKYGCRKOUJRCNN-UHFFFAOYSA-N 0 3 308.357 2.168 20 30 DEEDHN Cc1ccc(C(C)(C)CNCc2cnc3c(C#N)cnn3c2)nc1 ZINC000600192873 359684227 /nfs/dbraw/zinc/68/42/27/359684227.db2.gz YTHHBHIRTUVANV-UHFFFAOYSA-N 0 3 320.400 2.372 20 30 DEEDHN CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1C[C@@H](C)O ZINC000187681738 200144227 /nfs/dbraw/zinc/14/42/27/200144227.db2.gz QEHZPNQWQGFWIS-RVKKMQEKSA-N 0 3 301.434 2.396 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCCNC2=O)CC1 ZINC000187701953 200146782 /nfs/dbraw/zinc/14/67/82/200146782.db2.gz QAHYHHZLGAWMFK-AWEZNQCLSA-N 0 3 312.417 2.499 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(CC)cn2)CC1 ZINC000668370333 540655994 /nfs/dbraw/zinc/65/59/94/540655994.db2.gz UXSINCDZDRTPBO-UHFFFAOYSA-N 0 3 301.434 2.343 20 30 DEEDHN CCC(CC)CN(CCC#N)C(=O)c1cnn(CCN(C)C)c1 ZINC000601039746 359901693 /nfs/dbraw/zinc/90/16/93/359901693.db2.gz RFFXTHSLKBQQHW-UHFFFAOYSA-N 0 3 319.453 2.237 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189141716 200355983 /nfs/dbraw/zinc/35/59/83/200355983.db2.gz UNNYEFHTKQYXBS-ROUUACIJSA-N 0 3 300.402 2.483 20 30 DEEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(N3CCSCC3)c2)C1 ZINC000601302641 359999116 /nfs/dbraw/zinc/99/91/16/359999116.db2.gz UCOBKCCZWYUZIL-DZGCQCFKSA-N 0 3 302.447 2.417 20 30 DEEDHN CSC1(CNC(=O)c2ccccc2CC#N)CCN(C)CC1 ZINC000601591539 360080445 /nfs/dbraw/zinc/08/04/45/360080445.db2.gz YBKYKQARCFCUAZ-UHFFFAOYSA-N 0 3 317.458 2.310 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC(C2CCCC2)C1 ZINC000601955671 360207380 /nfs/dbraw/zinc/20/73/80/360207380.db2.gz AGTFPHNUSGRSSI-QGZVFWFLSA-N 0 3 300.402 2.420 20 30 DEEDHN CN1CCN(Cc2ccc(NCc3cccc(C#N)n3)cc2)CC1 ZINC000602484725 360400667 /nfs/dbraw/zinc/40/06/67/360400667.db2.gz PDOSCEWLNQZJPX-UHFFFAOYSA-N 0 3 321.428 2.313 20 30 DEEDHN CCC(CC)[C@@H](CNCc1cccc(C#N)n1)N1CCOCC1 ZINC000602512279 360410580 /nfs/dbraw/zinc/41/05/80/360410580.db2.gz SHAJZHOLSZHZMN-GOSISDBHSA-N 0 3 316.449 2.180 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000619208341 363736208 /nfs/dbraw/zinc/73/62/08/363736208.db2.gz CAMAQKFJSPCGTA-RHSMWYFYSA-N 0 3 306.454 2.442 20 30 DEEDHN CCC[C@@H](C)C(=O)NCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602671624 360488452 /nfs/dbraw/zinc/48/84/52/360488452.db2.gz VXUXNQUCGFLENC-CABCVRRESA-N 0 3 309.454 2.227 20 30 DEEDHN CC[C@@H](CC#N)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602612743 360457901 /nfs/dbraw/zinc/45/79/01/360457901.db2.gz QEYZVUWEUHSLRW-LBPRGKRZSA-N 0 3 303.366 2.240 20 30 DEEDHN C[C@@]1(C#N)CCCN(C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000602804774 360564669 /nfs/dbraw/zinc/56/46/69/360564669.db2.gz KLYQIVHAJHKFEN-OALUTQOASA-N 0 3 313.445 2.249 20 30 DEEDHN CN(C)C1(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000602828417 360576401 /nfs/dbraw/zinc/57/64/01/360576401.db2.gz PJBIMUQQBUIXHQ-UHFFFAOYSA-N 0 3 324.331 2.375 20 30 DEEDHN C=C[C@@](C)(O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000668847371 540742148 /nfs/dbraw/zinc/74/21/48/540742148.db2.gz GGVMGHCEXUNNCG-OAHLLOKOSA-N 0 3 312.797 2.156 20 30 DEEDHN CCOc1ccccc1CN1CCN(C(=O)C(C)C#N)[C@H](C)C1 ZINC000442894595 238089225 /nfs/dbraw/zinc/08/92/25/238089225.db2.gz IFTBLIMHKHUYSB-HUUCEWRRSA-N 0 3 315.417 2.278 20 30 DEEDHN N#CCSCCCN1C[C@@H]2C[C@H]1CN2CCCSCC#N ZINC000602988414 360657953 /nfs/dbraw/zinc/65/79/53/360657953.db2.gz JNWKILRSKZJWJR-GJZGRUSLSA-N 0 3 324.519 2.039 20 30 DEEDHN COc1cccc(C(=O)NCCNCc2ccc(C#N)c(C)c2)c1 ZINC000443969647 238133060 /nfs/dbraw/zinc/13/30/60/238133060.db2.gz RUOZMJLLBHYEBH-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN COCCNC(=O)[C@H](CC(C)C)NCc1ccc(C#N)c(C)c1 ZINC000443990959 238135364 /nfs/dbraw/zinc/13/53/64/238135364.db2.gz SJXGVQXFCJPZTR-KRWDZBQOSA-N 0 3 317.433 2.134 20 30 DEEDHN C#CCOc1ccc(F)cc1NC(=O)NCC1=CCN(C)CC1 ZINC000272022591 209393265 /nfs/dbraw/zinc/39/32/65/209393265.db2.gz LTCSCYIHUYSMPS-UHFFFAOYSA-N 0 3 317.364 2.221 20 30 DEEDHN COCCOCc1cc(C#N)ccc1NCCN1CC=CCC1 ZINC000603363122 360806382 /nfs/dbraw/zinc/80/63/82/360806382.db2.gz FVPVDBJXUCRMGN-UHFFFAOYSA-N 0 3 315.417 2.395 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(CC)no2)CC1 ZINC000607375191 361086166 /nfs/dbraw/zinc/08/61/66/361086166.db2.gz MJVNTMQJUBPXSD-UHFFFAOYSA-N 0 3 306.410 2.077 20 30 DEEDHN Cn1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1=O ZINC000609194659 361289495 /nfs/dbraw/zinc/28/94/95/361289495.db2.gz ARUQIZNEKNXODE-UHFFFAOYSA-N 0 3 323.396 2.300 20 30 DEEDHN N#CCn1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cc2ccccc21 ZINC000609383583 361308348 /nfs/dbraw/zinc/30/83/48/361308348.db2.gz VSOCYZDWIMHTIN-INIZCTEOSA-N 0 3 322.412 2.379 20 30 DEEDHN N#Cc1ccc(CN(C[C@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000619264923 363750569 /nfs/dbraw/zinc/75/05/69/363750569.db2.gz NDGVUKWCKMEFFB-MRXNPFEDSA-N 0 3 307.401 2.461 20 30 DEEDHN Cc1csc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)n1 ZINC000619356775 363771343 /nfs/dbraw/zinc/77/13/43/363771343.db2.gz RHVXARLWYNRJAU-OAHLLOKOSA-N 0 3 324.409 2.364 20 30 DEEDHN C[C@H](NC(=O)NCCN1CCCCC1)c1cccc(C#N)c1 ZINC000610335260 361385505 /nfs/dbraw/zinc/38/55/05/361385505.db2.gz HQTVDIWHXBXQJE-AWEZNQCLSA-N 0 3 300.406 2.404 20 30 DEEDHN N#Cc1nc(N2CCCN(C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000610514659 361413660 /nfs/dbraw/zinc/41/36/60/361413660.db2.gz WTFIKKCUVMNXPY-ZDUSSCGKSA-N 0 3 320.824 2.298 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000673010880 541081942 /nfs/dbraw/zinc/08/19/42/541081942.db2.gz DAKRDIBPALJDQC-RDJZCZTQSA-N 0 3 319.449 2.488 20 30 DEEDHN CS(=O)(=O)CC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611394632 361591214 /nfs/dbraw/zinc/59/12/14/361591214.db2.gz UBCGIVKPFYIRLT-MRXNPFEDSA-N 0 3 318.442 2.350 20 30 DEEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000611551919 361628954 /nfs/dbraw/zinc/62/89/54/361628954.db2.gz XJAWONAYVKSTQA-PBHICJAKSA-N 0 3 303.381 2.044 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611578010 361639808 /nfs/dbraw/zinc/63/98/08/361639808.db2.gz MHEQONMVAHVHBT-PWSUYJOCSA-N 0 3 300.280 2.098 20 30 DEEDHN C=C[C@@](C)(O)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000611661661 361654375 /nfs/dbraw/zinc/65/43/75/361654375.db2.gz ODDZAQXBHGAHMC-MAUKXSAKSA-N 0 3 302.418 2.046 20 30 DEEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nncn1C ZINC000271855859 209271676 /nfs/dbraw/zinc/27/16/76/209271676.db2.gz JJVXFGBIMDKKFF-CQSZACIVSA-N 0 3 324.432 2.002 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(CCC)C2)cc1 ZINC000619904617 363902901 /nfs/dbraw/zinc/90/29/01/363902901.db2.gz OASRJHONLDWCPN-INIZCTEOSA-N 0 3 302.418 2.394 20 30 DEEDHN Cn1cncc1[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000275443159 212335329 /nfs/dbraw/zinc/33/53/29/212335329.db2.gz GANVUDUSKPHLOT-YOEHRIQHSA-N 0 3 314.364 2.441 20 30 DEEDHN C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1CC(C)(C)O ZINC000275418119 212321414 /nfs/dbraw/zinc/32/14/14/212321414.db2.gz CSMDERLJEOTTPG-LBPRGKRZSA-N 0 3 307.825 2.493 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC000623192235 364912427 /nfs/dbraw/zinc/91/24/27/364912427.db2.gz NTNUFETZZKNTPR-BBRMVZONSA-N 0 3 316.449 2.232 20 30 DEEDHN Fc1ccc(C#CCN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000676555939 541468674 /nfs/dbraw/zinc/46/86/74/541468674.db2.gz LGYUQVZLZHYQGA-LJQANCHMSA-N 0 3 316.420 2.364 20 30 DEEDHN CO[C@]1(C)C[C@@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C ZINC000451481659 243010540 /nfs/dbraw/zinc/01/05/40/243010540.db2.gz BDVTYKPOKKWINB-CZUORRHYSA-N 0 3 307.438 2.122 20 30 DEEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000453364207 245088985 /nfs/dbraw/zinc/08/89/85/245088985.db2.gz QZQMUSGVVLTGML-SWLSCSKDSA-N 0 3 312.435 2.036 20 30 DEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000288221559 220026822 /nfs/dbraw/zinc/02/68/22/220026822.db2.gz DUIOOBAFUGKUPV-SWLSCSKDSA-N 0 3 301.365 2.396 20 30 DEEDHN CC[C@@H]1CN(c2cc(Cl)ccc2C#N)CCN1C[C@H](C)O ZINC000266435816 205345955 /nfs/dbraw/zinc/34/59/55/205345955.db2.gz VERAIRJYVIOOJS-SWLSCSKDSA-N 0 3 307.825 2.493 20 30 DEEDHN C=CCOCCN[C@@H](CN1CCOCC1)c1ccc(CC)cc1 ZINC000680350300 541991416 /nfs/dbraw/zinc/99/14/16/541991416.db2.gz YQNGVRXKFCESFV-IBGZPJMESA-N 0 3 318.461 2.415 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCc2nccnc2C1 ZINC001354319431 1151885294 /nfs/dbraw/zinc/88/52/94/1151885294.db2.gz RZPFTVSPKZHKSX-CQSZACIVSA-N 0 3 304.438 2.439 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000458319282 248260579 /nfs/dbraw/zinc/26/05/79/248260579.db2.gz FFKZDTZRBJODHN-OAHLLOKOSA-N 0 3 311.470 2.075 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000458335998 248266460 /nfs/dbraw/zinc/26/64/60/248266460.db2.gz OWDXKBNHYYWXOK-SFHVURJKSA-N 0 3 323.481 2.077 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2cncc(OC)c2)CC1 ZINC000492522697 249082264 /nfs/dbraw/zinc/08/22/64/249082264.db2.gz QCTZKUIDJZIMHA-PLNGDYQASA-N 0 3 315.417 2.260 20 30 DEEDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000493676091 249359122 /nfs/dbraw/zinc/35/91/22/249359122.db2.gz IKYHALAXPIOIGW-AEFFLSMTSA-N 0 3 315.417 2.074 20 30 DEEDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCOC1 ZINC000274007842 211265061 /nfs/dbraw/zinc/26/50/61/211265061.db2.gz LLGDVFHWPDXEFJ-ZYHUDNBSSA-N 0 3 307.781 2.165 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000106349552 194199005 /nfs/dbraw/zinc/19/90/05/194199005.db2.gz KJJRFVNCHQXMKZ-UHFFFAOYSA-N 0 3 315.417 2.090 20 30 DEEDHN C[C@@H]1CSC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000285260766 218355837 /nfs/dbraw/zinc/35/58/37/218355837.db2.gz XKHKRAWNOLLAFP-UHOFOFEASA-N 0 3 315.442 2.395 20 30 DEEDHN Cc1cc(CNCCn2cnc(C#N)n2)ccc1Br ZINC000285352736 218394202 /nfs/dbraw/zinc/39/42/02/218394202.db2.gz AYCOOBUYSIKQHQ-UHFFFAOYSA-N 0 3 320.194 2.011 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSC1CC1 ZINC000294515206 224065024 /nfs/dbraw/zinc/06/50/24/224065024.db2.gz PZIKZCFRLZWDSC-UHFFFAOYSA-N 0 3 317.458 2.344 20 30 DEEDHN C=CCC[C@@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000273074474 210455146 /nfs/dbraw/zinc/45/51/46/210455146.db2.gz GBEMTHZQZAQSNR-KGLIPLIRSA-N 0 3 314.223 2.399 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1N(C)C ZINC000544619319 285364561 /nfs/dbraw/zinc/36/45/61/285364561.db2.gz GVSTXAJCEFRNLP-ZIAGYGMSSA-N 0 3 323.849 2.329 20 30 DEEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)s2)CCN1C ZINC000422212024 533587076 /nfs/dbraw/zinc/58/70/76/533587076.db2.gz DISCAKJPQNEZKK-NEPJUHHUSA-N 0 3 306.435 2.244 20 30 DEEDHN COC(=O)COC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000418149474 533551992 /nfs/dbraw/zinc/55/19/92/533551992.db2.gz VCHMOBOAGVEHQR-LRDDRELGSA-N 0 3 302.374 2.103 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCCc1cccc(C#N)c1 ZINC000347618024 132774827 /nfs/dbraw/zinc/77/48/27/132774827.db2.gz VTQWZRPNOPESDR-OAHLLOKOSA-N 0 3 314.433 2.274 20 30 DEEDHN Cc1oc([N-]C(=O)C[NH2+]C2(C3CC3)CCOCC2)c(C#N)c1C ZINC000368490475 133275587 /nfs/dbraw/zinc/27/55/87/133275587.db2.gz NXQJXGJGPAUMEV-UHFFFAOYSA-N 0 3 317.389 2.255 20 30 DEEDHN Cc1oc(NC(=O)CNC2(C3CC3)CCOCC2)c(C#N)c1C ZINC000368490475 133275588 /nfs/dbraw/zinc/27/55/88/133275588.db2.gz NXQJXGJGPAUMEV-UHFFFAOYSA-N 0 3 317.389 2.255 20 30 DEEDHN CC1(C)CN(CCC(=O)Nc2sccc2C#N)CCCO1 ZINC000377256689 133324074 /nfs/dbraw/zinc/32/40/74/133324074.db2.gz LXCSSLHFRYLRTO-UHFFFAOYSA-N 0 3 307.419 2.449 20 30 DEEDHN N#Cc1ncn(CCNCc2ccc(Cl)c3cccnc23)n1 ZINC000353036113 146640368 /nfs/dbraw/zinc/64/03/68/146640368.db2.gz FHNGLWOKJQWIEI-UHFFFAOYSA-N 0 3 312.764 2.141 20 30 DEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2n(n1)CCCO2 ZINC000329873352 404477360 /nfs/dbraw/zinc/47/73/60/404477360.db2.gz CBZZLWHBVGQEMG-HZSPNIEDSA-N 0 3 320.437 2.337 20 30 DEEDHN Cc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1C#N ZINC000564710193 292106012 /nfs/dbraw/zinc/10/60/12/292106012.db2.gz ALBAECMYMOAVLV-RVSPLBMKSA-N 0 3 312.417 2.064 20 30 DEEDHN CN1C[C@@H]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)[C@@H]2C1 ZINC000564880144 292117746 /nfs/dbraw/zinc/11/77/46/292117746.db2.gz RMGYGCJGSOUZMO-JKSUJKDBSA-N 0 3 323.400 2.134 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CN1C1CC1 ZINC000329891821 404483746 /nfs/dbraw/zinc/48/37/46/404483746.db2.gz ILBATDJVWMNPRK-XABYNWHXSA-N 0 3 318.421 2.079 20 30 DEEDHN CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000329890651 404484365 /nfs/dbraw/zinc/48/43/65/404484365.db2.gz GOWVQZKPPCEIJL-UHOFOFEASA-N 0 3 307.438 2.217 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1(N(C)C)CCC1 ZINC000187880345 145004145 /nfs/dbraw/zinc/00/41/45/145004145.db2.gz OKZQBWWVDOOEOS-CQSZACIVSA-N 0 3 314.433 2.301 20 30 DEEDHN CCc1cc(N2CCC[C@H](NCc3cc(C#N)n(C)c3)C2)ncn1 ZINC000191021553 145051587 /nfs/dbraw/zinc/05/15/87/145051587.db2.gz YWWYAWITMCRRFU-INIZCTEOSA-N 0 3 324.432 2.008 20 30 DEEDHN N#Cc1cnn2cc(CNCC3(c4ccccc4)CC3)cnc12 ZINC000549764373 285855859 /nfs/dbraw/zinc/85/58/59/285855859.db2.gz PZPAIKRIVRICPS-UHFFFAOYSA-N 0 3 303.369 2.422 20 30 DEEDHN N#Cc1ccc(OCCN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246529369 145105672 /nfs/dbraw/zinc/10/56/72/145105672.db2.gz AHGYPGNEPUQKPP-HZPDHXFCSA-N 0 3 304.415 2.143 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000248397735 145153540 /nfs/dbraw/zinc/15/35/40/145153540.db2.gz SFKTVQBSBMMSDW-CXAGYDPISA-N 0 3 308.385 2.137 20 30 DEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000565436398 292162216 /nfs/dbraw/zinc/16/22/16/292162216.db2.gz QRVSAAICDVQLBX-IRXDYDNUSA-N 0 3 304.365 2.107 20 30 DEEDHN CN(C(=O)CN1CC[C@@H]([C@H]2CCOC2)C1)C1(C#N)CCCCC1 ZINC000372147844 404486899 /nfs/dbraw/zinc/48/68/99/404486899.db2.gz BASLBTNXEJYSJN-CVEARBPZSA-N 0 3 319.449 2.030 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](c3nc[nH]n3)C2)c(OC(F)F)c1 ZINC000566064659 292201369 /nfs/dbraw/zinc/20/13/69/292201369.db2.gz VBFGHQIWUYXECS-GFCCVEGCSA-N 0 3 319.315 2.267 20 30 DEEDHN COCC1(C#N)CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000341990174 292207928 /nfs/dbraw/zinc/20/79/28/292207928.db2.gz KYNPZFJUZVDXHV-UHFFFAOYSA-N 0 3 305.422 2.339 20 30 DEEDHN C=CC1CCN(C(=O)NC2CCN(CCCOC)CC2)CC1 ZINC000111852188 401726301 /nfs/dbraw/zinc/72/63/01/401726301.db2.gz SQRRYLMYWJGDBV-UHFFFAOYSA-N 0 3 309.454 2.095 20 30 DEEDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110628095 401692636 /nfs/dbraw/zinc/69/26/36/401692636.db2.gz WXJCCTVQNTZBJN-HNNXBMFYSA-N 0 3 315.417 2.122 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114644215 401804519 /nfs/dbraw/zinc/80/45/19/401804519.db2.gz TWGPSECLIUAHHF-OAHLLOKOSA-N 0 3 303.431 2.024 20 30 DEEDHN C[C@H](CNC[C@@H](O)COc1ccc(C#N)cc1)C(F)(F)F ZINC000566130699 292208600 /nfs/dbraw/zinc/20/86/00/292208600.db2.gz FCQYLRBDFRDBBG-ZYHUDNBSSA-N 0 3 302.296 2.086 20 30 DEEDHN C=CCOc1ccc(CN2CCN(CC(C)(C)O)CC2)cc1 ZINC000129943778 401812756 /nfs/dbraw/zinc/81/27/56/401812756.db2.gz OKFLWSJVDSIKFT-UHFFFAOYSA-N 0 3 304.434 2.140 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)CSCC#N)CN1Cc1ccccc1 ZINC000134900657 401918742 /nfs/dbraw/zinc/91/87/42/401918742.db2.gz JRBMMNTVIJMPRZ-DZGCQCFKSA-N 0 3 303.431 2.022 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCN(C(=O)NCC)C2)cc1 ZINC000090411871 401982090 /nfs/dbraw/zinc/98/20/90/401982090.db2.gz GFGRLPHBXXPTCC-GOEBONIOSA-N 0 3 315.417 2.153 20 30 DEEDHN C=CCCOCCN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090884043 401988804 /nfs/dbraw/zinc/98/88/04/401988804.db2.gz MCSXSRIYLLMLCR-ZDUSSCGKSA-N 0 3 312.435 2.301 20 30 DEEDHN C[C@@H](CO[C@H]1CCOC1)NCc1ccc(N(C)CCC#N)cc1 ZINC000151220821 402023846 /nfs/dbraw/zinc/02/38/46/402023846.db2.gz FSNVOQDVRVFBFG-YJBOKZPZSA-N 0 3 317.433 2.320 20 30 DEEDHN C#CCSCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000121512852 402040827 /nfs/dbraw/zinc/04/08/27/402040827.db2.gz YPTIZXZQSMWOMJ-OAHLLOKOSA-N 0 3 309.479 2.013 20 30 DEEDHN CCC(CC)(CNCC(=O)Nc1sccc1C#N)C(=O)OC ZINC000120884469 402005690 /nfs/dbraw/zinc/00/56/90/402005690.db2.gz LSDOMTKMRUFJGD-UHFFFAOYSA-N 0 3 323.418 2.127 20 30 DEEDHN COCCN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000054356096 402066319 /nfs/dbraw/zinc/06/63/19/402066319.db2.gz VALLTQWGHJFTLU-UHFFFAOYSA-N 0 3 307.419 2.015 20 30 DEEDHN Clc1cccc(C#CCN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000153472997 402147642 /nfs/dbraw/zinc/14/76/42/402147642.db2.gz ZQQROAMHIJJBJN-KRWDZBQOSA-N 0 3 318.848 2.346 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cnc12 ZINC000566242195 292220923 /nfs/dbraw/zinc/22/09/23/292220923.db2.gz HTXOCPWBXSWLMH-OAGGEKHMSA-N 0 3 323.400 2.038 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 ZINC000103127355 402178804 /nfs/dbraw/zinc/17/88/04/402178804.db2.gz LPBRGISAHPDCQY-UHFFFAOYSA-N 0 3 323.440 2.480 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1O)C(C)C ZINC000103306368 402184620 /nfs/dbraw/zinc/18/46/20/402184620.db2.gz POKSNFMTKCZTCG-ZACQAIPSSA-N 0 3 323.481 2.288 20 30 DEEDHN C#CCOCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000124900439 402202780 /nfs/dbraw/zinc/20/27/80/402202780.db2.gz BRODATXHZLXPSM-OAHLLOKOSA-N 0 3 320.458 2.116 20 30 DEEDHN CN(CC1CCOCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000155702078 402264652 /nfs/dbraw/zinc/26/46/52/402264652.db2.gz ZRWUQWMZOFFOFB-CQSZACIVSA-N 0 3 319.430 2.083 20 30 DEEDHN C#CCOCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000155137733 402246539 /nfs/dbraw/zinc/24/65/39/402246539.db2.gz SIOYHGPVCHRTFN-AEFFLSMTSA-N 0 3 314.429 2.053 20 30 DEEDHN C#CCOc1ccccc1CNCC1CCN(C(C)=O)CC1 ZINC000105506314 402208429 /nfs/dbraw/zinc/20/84/29/402208429.db2.gz GKJQCJCKVPDQDF-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCOC2CCCC2)CC1 ZINC000106271510 402212562 /nfs/dbraw/zinc/21/25/62/402212562.db2.gz GUYPQNZQIRWBNG-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN N#Cc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)ccc1F ZINC000176089716 402277903 /nfs/dbraw/zinc/27/79/03/402277903.db2.gz LODBWJVPKFXUKC-AWEZNQCLSA-N 0 3 300.337 2.175 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000176158534 402285339 /nfs/dbraw/zinc/28/53/39/402285339.db2.gz HCWJPLONHRMHNY-NVXWUHKLSA-N 0 3 323.481 2.387 20 30 DEEDHN C=C(C)[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000184845953 402303981 /nfs/dbraw/zinc/30/39/81/402303981.db2.gz VWIACMHWEUWOGJ-TVQRCGJNSA-N 0 3 317.357 2.131 20 30 DEEDHN COc1cc(OC)cc([C@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176972020 402355227 /nfs/dbraw/zinc/35/52/27/402355227.db2.gz GLMXXYIPTCQVIF-MRXNPFEDSA-N 0 3 318.398 2.460 20 30 DEEDHN CC(C)(O)CN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177112298 402371130 /nfs/dbraw/zinc/37/11/30/402371130.db2.gz BRSLUQAJYXUCNA-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN CN(C)Cc1cccc(C(=O)NC2(C#N)CCSCC2)c1 ZINC000162667510 402428068 /nfs/dbraw/zinc/42/80/68/402428068.db2.gz UAOUSFIPKSUJED-UHFFFAOYSA-N 0 3 303.431 2.267 20 30 DEEDHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1ccccc1C#N ZINC000186768251 402463221 /nfs/dbraw/zinc/46/32/21/402463221.db2.gz RXDUMOIHGCAMFM-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1O ZINC000186814209 402466343 /nfs/dbraw/zinc/46/63/43/402466343.db2.gz RRTIJCNWXLSVQM-GUYCJALGSA-N 0 3 310.401 2.161 20 30 DEEDHN CCO[C@H]1C[C@](CO)(NCCOc2cccc(C#N)c2)C1(C)C ZINC000190017409 402570806 /nfs/dbraw/zinc/57/08/06/402570806.db2.gz HWPMMZCBQSRHHT-FUHWJXTLSA-N 0 3 318.417 2.093 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)CC1 ZINC000246232229 402519690 /nfs/dbraw/zinc/51/96/90/402519690.db2.gz ROEWFJBQEVGODO-IPMKNSEASA-N 0 3 308.425 2.176 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CC)C[C@@H]2CCCO2)CC1 ZINC000171607086 402600634 /nfs/dbraw/zinc/60/06/34/402600634.db2.gz RXARVRBWJAIJRS-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248734539 402605926 /nfs/dbraw/zinc/60/59/26/402605926.db2.gz BLZVLRYRPHXMFV-MVJTYMMSSA-N 0 3 319.445 2.389 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000171719586 402614401 /nfs/dbraw/zinc/61/44/01/402614401.db2.gz AAMSJQFWIBZLQY-CYBMUJFWSA-N 0 3 306.381 2.360 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171720011 402614546 /nfs/dbraw/zinc/61/45/46/402614546.db2.gz GGSHESQPKVKVMR-UHFFFAOYSA-N 0 3 318.377 2.044 20 30 DEEDHN Cc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000180865787 402628283 /nfs/dbraw/zinc/62/82/83/402628283.db2.gz AFDGVFKHVXPOBD-DNZUHHBVSA-N 0 3 313.401 2.480 20 30 DEEDHN CC(C)N(C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000190667009 402617125 /nfs/dbraw/zinc/61/71/25/402617125.db2.gz SCUQUKFBUYRACW-UHFFFAOYSA-N 0 3 302.422 2.382 20 30 DEEDHN Cn1cc(CNCc2cccc(CN3CCCC3=O)c2)cc1C#N ZINC000190758367 402621715 /nfs/dbraw/zinc/62/17/15/402621715.db2.gz GKADLPLLNIFVIK-UHFFFAOYSA-N 0 3 322.412 2.309 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OCCOC)cc2)CC1 ZINC000171811620 402624725 /nfs/dbraw/zinc/62/47/25/402624725.db2.gz CMCYXZHXLKPKNT-UHFFFAOYSA-N 0 3 318.417 2.092 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000171853628 402628774 /nfs/dbraw/zinc/62/87/74/402628774.db2.gz CAPKTPCCNQGGOF-HNNXBMFYSA-N 0 3 318.396 2.371 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000172120195 402641447 /nfs/dbraw/zinc/64/14/47/402641447.db2.gz KEMBENBVUJUEIN-GUYCJALGSA-N 0 3 300.402 2.318 20 30 DEEDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181875927 402659578 /nfs/dbraw/zinc/65/95/78/402659578.db2.gz QQOIQMCGXMTJKW-KEYYUXOJSA-N 0 3 304.390 2.434 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)C(C)(C)c1ccccc1 ZINC000181793178 402656962 /nfs/dbraw/zinc/65/69/62/402656962.db2.gz ZMWLTHKJTPQEDJ-ZIAGYGMSSA-N 0 3 317.433 2.343 20 30 DEEDHN C=CCOc1ccc(/C=C\C(=O)NCCN(C)CC)cc1OC ZINC000255404992 402686697 /nfs/dbraw/zinc/68/66/97/402686697.db2.gz FRQNOLUQSVOUPM-NTMALXAHSA-N 0 3 318.417 2.341 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cn(C(C)(C)C)nc2C)CC1 ZINC000182406773 402687027 /nfs/dbraw/zinc/68/70/27/402687027.db2.gz VXHWTDYVVXVFHY-UHFFFAOYSA-N 0 3 304.438 2.327 20 30 DEEDHN CC(C)(C)[C@@H](CO)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192774475 402749299 /nfs/dbraw/zinc/74/92/99/402749299.db2.gz GRHWQXNRWLNWPG-JKSUJKDBSA-N 0 3 315.417 2.050 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000183469818 402770498 /nfs/dbraw/zinc/77/04/98/402770498.db2.gz PKEUDVQKBNKJAP-INIZCTEOSA-N 0 3 310.486 2.010 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cncnc1C)C(C)C ZINC000263938427 402822729 /nfs/dbraw/zinc/82/27/29/402822729.db2.gz GLRLMXBYAWPKPI-INIZCTEOSA-N 0 3 302.422 2.213 20 30 DEEDHN C=CCCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000264062187 402836037 /nfs/dbraw/zinc/83/60/37/402836037.db2.gz FKPRBPVKYJYNPH-HNNXBMFYSA-N 0 3 315.417 2.289 20 30 DEEDHN CC(C)[C@H](CNc1cccc(F)c1C#N)N1CCN(C)CC1 ZINC000263645284 402785997 /nfs/dbraw/zinc/78/59/97/402785997.db2.gz ALOKZBVXRYSXQZ-KRWDZBQOSA-N 0 3 304.413 2.381 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCCN2C(C)C)n1 ZINC000279088057 402902666 /nfs/dbraw/zinc/90/26/66/402902666.db2.gz IDEDDJSGTRCZMN-QGZVFWFLSA-N 0 3 316.449 2.128 20 30 DEEDHN CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000278268864 402862399 /nfs/dbraw/zinc/86/23/99/402862399.db2.gz OTEZDWHPNMLDPH-GOEBONIOSA-N 0 3 315.417 2.373 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1 ZINC000278716361 402870159 /nfs/dbraw/zinc/87/01/59/402870159.db2.gz USEASYHKAUINKZ-LLVKDONJSA-N 0 3 321.402 2.436 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278855837 402878880 /nfs/dbraw/zinc/87/88/80/402878880.db2.gz MORVKZOZCAKNQK-HNNXBMFYSA-N 0 3 306.450 2.467 20 30 DEEDHN Cc1cccc(CN2CCN(c3cc(C#N)ccn3)CC2)c1O ZINC000271774271 402883773 /nfs/dbraw/zinc/88/37/73/402883773.db2.gz FTYMWVUNDJEGGV-UHFFFAOYSA-N 0 3 308.385 2.290 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000264517887 402886074 /nfs/dbraw/zinc/88/60/74/402886074.db2.gz VVKJDACIKLXIFQ-MRXNPFEDSA-N 0 3 320.820 2.410 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccncc1)C(C)C ZINC000272431454 402936644 /nfs/dbraw/zinc/93/66/44/402936644.db2.gz SBMHHFQKHKCRCH-KRWDZBQOSA-N 0 3 301.434 2.439 20 30 DEEDHN COc1ccccc1COC[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC000272482048 402942502 /nfs/dbraw/zinc/94/25/02/402942502.db2.gz BDEMGYFJWCYZLM-INIZCTEOSA-N 0 3 318.417 2.198 20 30 DEEDHN C=CCCCNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000279477807 402946801 /nfs/dbraw/zinc/94/68/01/402946801.db2.gz GSDQZCCOPWEWIT-UHFFFAOYSA-N 0 3 319.449 2.435 20 30 DEEDHN C=CCOCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000272541779 402950777 /nfs/dbraw/zinc/95/07/77/402950777.db2.gz KOIUZCDVEIDTND-NSHDSACASA-N 0 3 301.383 2.082 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)[C@H]2CCCN2C1=O)C(C)C ZINC000272261741 402916018 /nfs/dbraw/zinc/91/60/18/402916018.db2.gz MHBVZLFVLCBKDU-HUUCEWRRSA-N 0 3 305.422 2.112 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000279370930 402935557 /nfs/dbraw/zinc/93/55/57/402935557.db2.gz GWZPUURYQJWDQA-KRWDZBQOSA-N 0 3 306.406 2.030 20 30 DEEDHN CN(Cc1nccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280413236 402997236 /nfs/dbraw/zinc/99/72/36/402997236.db2.gz LPBWUJAZDZDYSZ-AWEZNQCLSA-N 0 3 310.382 2.356 20 30 DEEDHN CN(C)CCN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280721888 403030186 /nfs/dbraw/zinc/03/01/86/403030186.db2.gz MFRMCZABKLYWGX-UHFFFAOYSA-N 0 3 311.433 2.482 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1cncn1C)C(C)C ZINC000280529428 403009841 /nfs/dbraw/zinc/00/98/41/403009841.db2.gz NLAFBGXQJXTXNE-QGZVFWFLSA-N 0 3 318.465 2.168 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1cccc(C#N)c1 ZINC000273513586 403011333 /nfs/dbraw/zinc/01/13/33/403011333.db2.gz XIJDLVKWMCGUSV-CQSZACIVSA-N 0 3 314.433 2.430 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Br)cnn1C ZINC000280568382 403013821 /nfs/dbraw/zinc/01/38/21/403013821.db2.gz GLBGFWQIIUUZIS-GXFFZTMASA-N 0 3 314.227 2.253 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@](C)(O)C(=O)OCC ZINC000274194096 403034082 /nfs/dbraw/zinc/03/40/82/403034082.db2.gz LJSBXCLCTDZNBD-KRWDZBQOSA-N 0 3 304.390 2.084 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000268194046 403060426 /nfs/dbraw/zinc/06/04/26/403060426.db2.gz WCHYTHQGQBSOBH-GUYCJALGSA-N 0 3 312.417 2.182 20 30 DEEDHN CCC(CC)[C@@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281492457 403069887 /nfs/dbraw/zinc/06/98/87/403069887.db2.gz HTLBYTAVTZODKQ-IRXDYDNUSA-N 0 3 313.401 2.154 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000281493882 403070027 /nfs/dbraw/zinc/07/00/27/403070027.db2.gz QDXIOPZZAIZTFY-OAHLLOKOSA-N 0 3 317.433 2.466 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@@H](COc3ccccc3)C2)C1=O ZINC000281514100 403070398 /nfs/dbraw/zinc/07/03/98/403070398.db2.gz YXNAPYAZAWOCDK-NVXWUHKLSA-N 0 3 300.402 2.174 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000274784156 403087300 /nfs/dbraw/zinc/08/73/00/403087300.db2.gz JYCHIGKXPODLAP-PBHICJAKSA-N 0 3 315.417 2.153 20 30 DEEDHN C#CCN(CC)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000274810223 403089947 /nfs/dbraw/zinc/08/99/47/403089947.db2.gz MNMOAZPHJFESDG-UHFFFAOYSA-N 0 3 314.433 2.316 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3ccc(OC)cc32)CC1 ZINC000277293646 403201938 /nfs/dbraw/zinc/20/19/38/403201938.db2.gz RCORGXUSNSCJOX-KRWDZBQOSA-N 0 3 314.429 2.492 20 30 DEEDHN C[C@H]1CCCN(CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000283533259 403204194 /nfs/dbraw/zinc/20/41/94/403204194.db2.gz LFKZHAHZOYAYMJ-NSHDSACASA-N 0 3 303.366 2.192 20 30 DEEDHN C#CCCN1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000270609528 403204918 /nfs/dbraw/zinc/20/49/18/403204918.db2.gz NEIRRCWIBVZNSF-CQSZACIVSA-N 0 3 307.463 2.382 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000283806060 403225335 /nfs/dbraw/zinc/22/53/35/403225335.db2.gz BQKHAGKMMRYEFK-LBPRGKRZSA-N 0 3 303.381 2.500 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC000276470311 403178564 /nfs/dbraw/zinc/17/85/64/403178564.db2.gz CRIPBZYLQSOREA-UHFFFAOYSA-N 0 3 309.369 2.224 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000270013557 403178762 /nfs/dbraw/zinc/17/87/62/403178762.db2.gz MQFOUZTWLRXQEF-ZJIFWQFVSA-N 0 3 304.434 2.123 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276500202 403181453 /nfs/dbraw/zinc/18/14/53/403181453.db2.gz WDKZGAUVNIORFW-FUHWJXTLSA-N 0 3 315.461 2.274 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000283364286 403192183 /nfs/dbraw/zinc/19/21/83/403192183.db2.gz NMYCTEIZZPQHHY-HZPDHXFCSA-N 0 3 316.401 2.060 20 30 DEEDHN CN(C)C(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285458077 403300867 /nfs/dbraw/zinc/30/08/67/403300867.db2.gz JNVUPAHKGLEXNP-UHFFFAOYSA-N 0 3 319.380 2.019 20 30 DEEDHN COc1ccc(CN2CCC(CCC(N)=O)CC2)cc1C#N ZINC000271268360 403283794 /nfs/dbraw/zinc/28/37/94/403283794.db2.gz WVURXSNKGXNPIE-UHFFFAOYSA-N 0 3 301.390 2.044 20 30 DEEDHN CC(C)[C@@H]1CN(C)CCN1CCC(=O)Nc1sccc1C#N ZINC000331248266 403362342 /nfs/dbraw/zinc/36/23/42/403362342.db2.gz WRIOMHRKEKZZJT-AWEZNQCLSA-N 0 3 320.462 2.220 20 30 DEEDHN CC[C@]1(CO)CCCN1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000331259029 403363965 /nfs/dbraw/zinc/36/39/65/403363965.db2.gz GXZJSPAVQNRHBN-YQQAZPJKSA-N 0 3 311.470 2.258 20 30 DEEDHN N#Cc1ncn(CCNCc2cc(F)cc(C(F)(F)F)c2)n1 ZINC000285531705 403319874 /nfs/dbraw/zinc/31/98/74/403319874.db2.gz PDZJBDNGNFWMLO-UHFFFAOYSA-N 0 3 313.258 2.097 20 30 DEEDHN C[C@H](c1ccccc1)[C@@H](NCCOc1ccc(C#N)cc1)C(N)=O ZINC000292256537 403336419 /nfs/dbraw/zinc/33/64/19/403336419.db2.gz REVACDMRNBOXLV-RDTXWAMCSA-N 0 3 323.396 2.184 20 30 DEEDHN CC(C)CN1CCO[C@@H](CNCc2ccc(C#N)cc2F)C1 ZINC000342860393 403375856 /nfs/dbraw/zinc/37/58/56/403375856.db2.gz IYQQCRPOMJZVBO-INIZCTEOSA-N 0 3 305.397 2.144 20 30 DEEDHN CCOC[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000298538445 403407607 /nfs/dbraw/zinc/40/76/07/403407607.db2.gz MWNCTQAGKOPZKF-ZIAGYGMSSA-N 0 3 321.446 2.376 20 30 DEEDHN COc1ccc([C@@H](CNC(=O)C(C)C#N)N2CCCC2)cc1 ZINC000345664766 403428079 /nfs/dbraw/zinc/42/80/79/403428079.db2.gz NKQZFMKTEHQAEF-CZUORRHYSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCOc1cccc(NC(=O)NCCNc2ccncc2)c1 ZINC000345701413 403443159 /nfs/dbraw/zinc/44/31/59/403443159.db2.gz WIIZCOGMAXZYHX-UHFFFAOYSA-N 0 3 312.373 2.302 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC[C@@H]2CCO)c(C#N)c1C ZINC000286265831 403485863 /nfs/dbraw/zinc/48/58/63/403485863.db2.gz SYZLUEKNOBYLJB-LNSITVRQSA-N 0 3 319.405 2.236 20 30 DEEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)c(C#N)c1C ZINC000286265831 403485866 /nfs/dbraw/zinc/48/58/66/403485866.db2.gz SYZLUEKNOBYLJB-LNSITVRQSA-N 0 3 319.405 2.236 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000343173303 403486924 /nfs/dbraw/zinc/48/69/24/403486924.db2.gz JKFJLNBSMLFOTF-PMPSAXMXSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@H](NCCOCCC#N)c1cccc(N2CCCC2=O)c1 ZINC000293750998 403555119 /nfs/dbraw/zinc/55/51/19/403555119.db2.gz IUNJBACLYAATER-AWEZNQCLSA-N 0 3 301.390 2.394 20 30 DEEDHN CN(CCC#N)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000299155716 403535551 /nfs/dbraw/zinc/53/55/51/403535551.db2.gz HXTXHTZVBWXQMM-CYBMUJFWSA-N 0 3 301.312 2.049 20 30 DEEDHN C#CCCN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000299210820 403548302 /nfs/dbraw/zinc/54/83/02/403548302.db2.gz CKEDSRQMNPUVPJ-CQSZACIVSA-N 0 3 308.447 2.391 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000293910646 403597087 /nfs/dbraw/zinc/59/70/87/403597087.db2.gz GBVBSAMJUFNOFM-CYBMUJFWSA-N 0 3 308.809 2.179 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000346848831 403605612 /nfs/dbraw/zinc/60/56/12/403605612.db2.gz OGNOUBCEXDBIFW-RTBURBONSA-N 0 3 322.408 2.479 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnn(CC)c1-c1ccccc1 ZINC000293953029 403608130 /nfs/dbraw/zinc/60/81/30/403608130.db2.gz KEDCGTGIGOLXKY-UHFFFAOYSA-N 0 3 324.428 2.255 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000347042962 403613402 /nfs/dbraw/zinc/61/34/02/403613402.db2.gz WCCIXCKUICUWCK-GFCCVEGCSA-N 0 3 308.341 2.110 20 30 DEEDHN COc1cccc([C@@H](C)N2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000347127710 403616004 /nfs/dbraw/zinc/61/60/04/403616004.db2.gz FIJYHXIQBKVFIU-ZIAGYGMSSA-N 0 3 301.390 2.060 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1c[nH]c2c1cccc2CC ZINC000294046470 403632447 /nfs/dbraw/zinc/63/24/47/403632447.db2.gz TTXUIJQKRAFKSA-UHFFFAOYSA-N 0 3 311.429 2.344 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cscc1Br ZINC000294064456 403637447 /nfs/dbraw/zinc/63/74/47/403637447.db2.gz VIHRQIMREVWXSB-UHFFFAOYSA-N 0 3 315.236 2.196 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(OCCC)c1 ZINC000294070951 403640101 /nfs/dbraw/zinc/64/01/01/403640101.db2.gz VWMQTLBJMWAAFH-UHFFFAOYSA-N 0 3 302.418 2.089 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)C(F)F)CC1 ZINC000294122897 403653373 /nfs/dbraw/zinc/65/33/73/403653373.db2.gz SIAXGQUOCNYTNZ-HNNXBMFYSA-N 0 3 306.356 2.454 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000294187064 403667702 /nfs/dbraw/zinc/66/77/02/403667702.db2.gz PICPMVUGMQAQIB-LPGQDOADSA-N 0 3 315.417 2.225 20 30 DEEDHN CC(=O)c1cc(C(=O)N(CCC#N)CCCN(C)C)cs1 ZINC000294287678 403694401 /nfs/dbraw/zinc/69/44/01/403694401.db2.gz WHTQXAPWFAOWBI-UHFFFAOYSA-N 0 3 307.419 2.258 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288031757 403712966 /nfs/dbraw/zinc/71/29/66/403712966.db2.gz MWHNYFADDDGYGM-YCPHGPKFSA-N 0 3 302.422 2.479 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000294766185 403733219 /nfs/dbraw/zinc/73/32/19/403733219.db2.gz QMXALSPXRQUQCG-WMZOPIPTSA-N 0 3 314.429 2.286 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000294766176 403733460 /nfs/dbraw/zinc/73/34/60/403733460.db2.gz QMXALSPXRQUQCG-AEFFLSMTSA-N 0 3 314.429 2.286 20 30 DEEDHN CCN1CCN(C[C@@H](C)CNc2c(C#N)cccc2C#N)CC1 ZINC000302861558 403735891 /nfs/dbraw/zinc/73/58/91/403735891.db2.gz VKHHUDDMBJGUAJ-HNNXBMFYSA-N 0 3 311.433 2.115 20 30 DEEDHN CC(C)=CCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000288672804 403761927 /nfs/dbraw/zinc/76/19/27/403761927.db2.gz SDVZACUETKDDKY-UHFFFAOYSA-N 0 3 317.433 2.246 20 30 DEEDHN N#CC(C(=O)c1cccc(N2CCCC2=O)c1)c1ccncn1 ZINC000354462291 403813680 /nfs/dbraw/zinc/81/36/80/403813680.db2.gz HIDZVJLZZQNJPV-CQSZACIVSA-N 0 3 306.325 2.093 20 30 DEEDHN Cc1ccnn1-c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354467909 403819230 /nfs/dbraw/zinc/81/92/30/403819230.db2.gz OMIHUIJZVCJNNT-OAHLLOKOSA-N 0 3 303.325 2.461 20 30 DEEDHN C=CC[C@H](CC)NC(=O)NCCCCN1CCN(CC)CC1 ZINC000347715777 403822760 /nfs/dbraw/zinc/82/27/60/403822760.db2.gz GSNIHVRARMEGQX-INIZCTEOSA-N 0 3 310.486 2.058 20 30 DEEDHN C=CCC[C@H](O)CN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000305106095 403834230 /nfs/dbraw/zinc/83/42/30/403834230.db2.gz ZIZFDYPHJDZVBX-HNNXBMFYSA-N 0 3 316.401 2.328 20 30 DEEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000361777945 403858865 /nfs/dbraw/zinc/85/88/65/403858865.db2.gz ZQOBCNUUZRJFKK-QGZVFWFLSA-N 0 3 309.413 2.285 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000351761967 403903195 /nfs/dbraw/zinc/90/31/95/403903195.db2.gz YTXOLFOFEJCGMN-OAHLLOKOSA-N 0 3 300.468 2.279 20 30 DEEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H](C)C#N)cc1 ZINC000354615152 403906767 /nfs/dbraw/zinc/90/67/67/403906767.db2.gz SNUIZPNUBFMOQI-CZUORRHYSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCc1cc(CNCCc2ccn(C)n2)cc(OC)c1O ZINC000354636726 403918860 /nfs/dbraw/zinc/91/88/60/403918860.db2.gz BZRUUQYHWIWTTH-UHFFFAOYSA-N 0 3 301.390 2.195 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)C(C)C ZINC000289351148 403922258 /nfs/dbraw/zinc/92/22/58/403922258.db2.gz JCAIROXRUYWIJA-BBRMVZONSA-N 0 3 316.401 2.438 20 30 DEEDHN CN(C)[C@@H](CNC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000362340264 403943545 /nfs/dbraw/zinc/94/35/45/403943545.db2.gz RCKBKYDLHBGNNO-HNNXBMFYSA-N 0 3 300.406 2.282 20 30 DEEDHN CCCC(N)=NOC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000289405495 403947508 /nfs/dbraw/zinc/94/75/08/403947508.db2.gz ORPAJPLCIWWKFQ-INIZCTEOSA-N 0 3 305.422 2.366 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C)C1CCC(C(F)(F)F)CC1 ZINC000344192847 403967617 /nfs/dbraw/zinc/96/76/17/403967617.db2.gz ZBMXWKWNNLXUMF-UHFFFAOYSA-N 0 3 321.343 2.051 20 30 DEEDHN C#Cc1ccc(CN[C@@H]2CCCN(c3ccnn3CC)C2=O)cc1 ZINC000289754596 403996564 /nfs/dbraw/zinc/99/65/64/403996564.db2.gz QCIQPAMHKBGXLT-QGZVFWFLSA-N 0 3 322.412 2.170 20 30 DEEDHN CN(C)c1ncccc1O[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000295690846 404006094 /nfs/dbraw/zinc/00/60/94/404006094.db2.gz DJTDJHLMKMKRHT-QLFBSQMISA-N 0 3 300.406 2.293 20 30 DEEDHN CO[C@](C)([C@H](C)NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000411965457 404035292 /nfs/dbraw/zinc/03/52/92/404035292.db2.gz FKNFIYSDPIAEIO-YVEFUNNKSA-N 0 3 301.390 2.290 20 30 DEEDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2cccc(C#N)c2)cn1 ZINC000369252462 404021886 /nfs/dbraw/zinc/02/18/86/404021886.db2.gz QCYSGWGTYILGAI-ROUUACIJSA-N 0 3 310.401 2.380 20 30 DEEDHN C[C@@H](C(=O)NC(C)(C)C)N(C)CCCC1(C#N)CCOCC1 ZINC000337216777 403973643 /nfs/dbraw/zinc/97/36/43/403973643.db2.gz ZPJRHGQFGPVTGY-AWEZNQCLSA-N 0 3 309.454 2.322 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990863 404047110 /nfs/dbraw/zinc/04/71/10/404047110.db2.gz SYMGYDLRHVSBFY-KDOFPFPSSA-N 0 3 301.386 2.423 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000296003656 404047372 /nfs/dbraw/zinc/04/73/72/404047372.db2.gz MFJDCSMFMUGDBH-SWLSCSKDSA-N 0 3 308.809 2.097 20 30 DEEDHN CCc1ccnc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000328610512 404114049 /nfs/dbraw/zinc/11/40/49/404114049.db2.gz NSWVFLOMVRPMGH-ZDUSSCGKSA-N 0 3 302.422 2.298 20 30 DEEDHN O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328657459 404124407 /nfs/dbraw/zinc/12/44/07/404124407.db2.gz PAPKCRIZNMVQAZ-LLVKDONJSA-N 0 3 317.368 2.419 20 30 DEEDHN O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328657459 404124415 /nfs/dbraw/zinc/12/44/15/404124415.db2.gz PAPKCRIZNMVQAZ-LLVKDONJSA-N 0 3 317.368 2.419 20 30 DEEDHN COC[C@]1(C(=O)OC)CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000296177841 404129879 /nfs/dbraw/zinc/12/98/79/404129879.db2.gz IECPVRDRWGVIBH-GUYCJALGSA-N 0 3 302.374 2.131 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1coc(C2CCOCC2)n1 ZINC000328755759 404143295 /nfs/dbraw/zinc/14/32/95/404143295.db2.gz TVCNBNPLIJJPIQ-RISCZKNCSA-N 0 3 319.405 2.356 20 30 DEEDHN CN(Cc1cccnc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349252475 404139844 /nfs/dbraw/zinc/13/98/44/404139844.db2.gz NCVLHBFDFDWEQT-QGZVFWFLSA-N 0 3 304.353 2.294 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328761133 404146466 /nfs/dbraw/zinc/14/64/66/404146466.db2.gz YAZKBTXVIZMVLJ-ZIAGYGMSSA-N 0 3 322.453 2.406 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000369741831 404215182 /nfs/dbraw/zinc/21/51/82/404215182.db2.gz OBPZYTGCNGFBGG-OAGGEKHMSA-N 0 3 321.465 2.140 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCCc1nc(C)cs1 ZINC000296278716 404176395 /nfs/dbraw/zinc/17/63/95/404176395.db2.gz ICCMNIOMJRUGPS-UHFFFAOYSA-N 0 3 322.478 2.029 20 30 DEEDHN CN(CCC#N)C(=O)CCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296321295 404195619 /nfs/dbraw/zinc/19/56/19/404195619.db2.gz OTVNXXHTQBODLU-OAHLLOKOSA-N 0 3 323.824 2.067 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1csc(=O)[nH]1)C(C)C ZINC000349874775 404239211 /nfs/dbraw/zinc/23/92/11/404239211.db2.gz FUQTVQOVJYMRJG-CYBMUJFWSA-N 0 3 309.435 2.277 20 30 DEEDHN O=C(CN[C@H]1CCC[C@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329170745 404253021 /nfs/dbraw/zinc/25/30/21/404253021.db2.gz JTGDJUZSWCLLGP-QWRGUYRKSA-N 0 3 309.435 2.361 20 30 DEEDHN CCC1(CO)CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000329272595 404285742 /nfs/dbraw/zinc/28/57/42/404285742.db2.gz AGDYQDMTULXSBK-CQSZACIVSA-N 0 3 309.454 2.035 20 30 DEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329279266 404287971 /nfs/dbraw/zinc/28/79/71/404287971.db2.gz LOODGQNMEWDYHM-UKRRQHHQSA-N 0 3 303.410 2.087 20 30 DEEDHN C=CCN1CC[C@H](N2CCC[C@H]2COc2ccccc2)C1=O ZINC000296393767 404227794 /nfs/dbraw/zinc/22/77/94/404227794.db2.gz SSWYYXBHNWOJLI-RDJZCZTQSA-N 0 3 300.402 2.317 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000329451395 404340250 /nfs/dbraw/zinc/34/02/50/404340250.db2.gz CRHAKLWHFANVHQ-UHTWSYAYSA-N 0 3 323.466 2.380 20 30 DEEDHN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329469488 404345710 /nfs/dbraw/zinc/34/57/10/404345710.db2.gz YDHNJEUEENJUGY-DZKIICNBSA-N 0 3 321.465 2.464 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CC2(C(=O)OCC)CCC2)CC1 ZINC000352418672 404357514 /nfs/dbraw/zinc/35/75/14/404357514.db2.gz GKOBYXLIASTAKB-UHFFFAOYSA-N 0 3 322.449 2.267 20 30 DEEDHN Cn1cc(C[C@@H]2CCN(CCOc3ccccc3C#N)C2)cn1 ZINC000370014712 404304760 /nfs/dbraw/zinc/30/47/60/404304760.db2.gz ZSOWVPIZVNVLGP-HNNXBMFYSA-N 0 3 310.401 2.235 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CCC1 ZINC000364506372 404427609 /nfs/dbraw/zinc/42/76/09/404427609.db2.gz HVZGCDUFVQCXBT-KRWDZBQOSA-N 0 3 319.493 2.360 20 30 DEEDHN CN1CCC[C@H](N2CCN(CCCCC(C)(C)C#N)CC2)C1 ZINC000364353873 404363508 /nfs/dbraw/zinc/36/35/08/404363508.db2.gz NKKGRGMWASYHEA-KRWDZBQOSA-N 0 3 306.498 2.418 20 30 DEEDHN Cc1nc(C2CC2)oc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000329524487 404364840 /nfs/dbraw/zinc/36/48/40/404364840.db2.gz QKYPBGQXRYXTDK-CQSZACIVSA-N 0 3 321.421 2.258 20 30 DEEDHN CCC(=O)N1CCC[C@H](C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000329523206 404365844 /nfs/dbraw/zinc/36/58/44/404365844.db2.gz RMQQKLSQXQYIEI-HIFRSBDPSA-N 0 3 307.438 2.242 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2CCc2ccccc2)c1 ZINC000370221506 404372502 /nfs/dbraw/zinc/37/25/02/404372502.db2.gz UZDIQKWIYRQEDS-QGZVFWFLSA-N 0 3 322.412 2.323 20 30 DEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000344818231 404386529 /nfs/dbraw/zinc/38/65/29/404386529.db2.gz KZTCKGQSIDWMQF-KBPBESRZSA-N 0 3 310.417 2.287 20 30 DEEDHN C[C@@H](NC(=O)NCC1(CCO)CCCC1)C1=CCN(C)CC1 ZINC000329714972 404430338 /nfs/dbraw/zinc/43/03/38/404430338.db2.gz UHHWCMKGYQFOFZ-CQSZACIVSA-N 0 3 309.454 2.083 20 30 DEEDHN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329672188 404416974 /nfs/dbraw/zinc/41/69/74/404416974.db2.gz SJZDMJDJIOCOKG-AQNCSGRASA-N 0 3 322.412 2.499 20 30 DEEDHN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329672188 404416983 /nfs/dbraw/zinc/41/69/83/404416983.db2.gz SJZDMJDJIOCOKG-AQNCSGRASA-N 0 3 322.412 2.499 20 30 DEEDHN Cc1ccc2c(c1)CC[C@@H](C(=O)NCC1(O)CCN(C)CC1)O2 ZINC000330016103 404527972 /nfs/dbraw/zinc/52/79/72/404527972.db2.gz PAYRMUQQYWNJGP-INIZCTEOSA-N 0 3 318.417 2.102 20 30 DEEDHN Cc1nnc([C@@H]2CCCN(C(=O)Nc3cccc(C)n3)C2)[nH]1 ZINC000329749075 404439044 /nfs/dbraw/zinc/43/90/44/404439044.db2.gz UAOBITVKERILBJ-GFCCVEGCSA-N 0 3 300.366 2.242 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000329766952 404445773 /nfs/dbraw/zinc/44/57/73/404445773.db2.gz YUFSQKJKGRFDNU-HLLBOEOZSA-N 0 3 309.454 2.322 20 30 DEEDHN Cc1nnc([C@@H](C)NC(=O)NC2CCN(C3CC3)CC2)s1 ZINC000329792288 404452360 /nfs/dbraw/zinc/45/23/60/404452360.db2.gz VBJLNECXYDEIPT-SECBINFHSA-N 0 3 309.439 2.038 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(C)c1C#N ZINC000352574434 404466826 /nfs/dbraw/zinc/46/68/26/404466826.db2.gz HCPRXPDJEHNZPW-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN CN1CCC(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000330044242 404535925 /nfs/dbraw/zinc/53/59/25/404535925.db2.gz FPMLZFQMFRVFCA-HNNXBMFYSA-N 0 3 309.454 2.466 20 30 DEEDHN O=C(N[C@@H](CCO)C1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000330112216 404554815 /nfs/dbraw/zinc/55/48/15/404554815.db2.gz BSVJJBHEINRIKU-ZBFHGGJFSA-N 0 3 309.454 2.058 20 30 DEEDHN Cc1nc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1C#N ZINC000291902775 404572904 /nfs/dbraw/zinc/57/29/04/404572904.db2.gz KGHBSQOYOQKSRB-GOSISDBHSA-N 0 3 322.412 2.440 20 30 DEEDHN CCC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000342575642 404658446 /nfs/dbraw/zinc/65/84/46/404658446.db2.gz FZLBIOMKPRMAAP-AWEZNQCLSA-N 0 3 309.435 2.061 20 30 DEEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000330241298 404597294 /nfs/dbraw/zinc/59/72/94/404597294.db2.gz FPRBHVBZIVDRQB-HDMKZQKVSA-N 0 3 316.401 2.104 20 30 DEEDHN N#Cc1ccncc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000345195919 404607203 /nfs/dbraw/zinc/60/72/03/404607203.db2.gz DBWSWNZUYVPJBB-UHFFFAOYSA-N 0 3 320.396 2.348 20 30 DEEDHN C[C@H](CNC(=O)c1cnccc1C#N)N(C)Cc1ccccc1 ZINC000345201236 404610016 /nfs/dbraw/zinc/61/00/16/404610016.db2.gz MQFIZOJXMWEAGZ-CQSZACIVSA-N 0 3 308.385 2.204 20 30 DEEDHN CC[C@]1(CO)CCCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000330277914 404610920 /nfs/dbraw/zinc/61/09/20/404610920.db2.gz OYRDIRLKAFRKQJ-PBHICJAKSA-N 0 3 309.454 2.035 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CSC[C@H]2C)c(C#N)c1C ZINC000352797811 404629090 /nfs/dbraw/zinc/62/90/90/404629090.db2.gz CLCUXBKMQHLOAQ-DFAYQTQMSA-N 0 3 307.419 2.436 20 30 DEEDHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000330331154 404629030 /nfs/dbraw/zinc/62/90/30/404629030.db2.gz NWRYWRSTJZWKTA-BZUAXINKSA-N 0 3 311.470 2.283 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CSC[C@@H]2C)c(C#N)c1C ZINC000352797813 404629988 /nfs/dbraw/zinc/62/99/88/404629988.db2.gz CLCUXBKMQHLOAQ-FWDPORAESA-N 0 3 307.419 2.436 20 30 DEEDHN CN(C)CCOC1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000351532916 404630242 /nfs/dbraw/zinc/63/02/42/404630242.db2.gz BYUCNYXZOWRJEF-UHFFFAOYSA-N 0 3 316.405 2.133 20 30 DEEDHN Cc1c[nH]nc1CNC1CCC(Oc2ncccc2C#N)CC1 ZINC000352899085 404686537 /nfs/dbraw/zinc/68/65/37/404686537.db2.gz QAYOVHWYBDKQCR-UHFFFAOYSA-N 0 3 311.389 2.465 20 30 DEEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000357804667 404744756 /nfs/dbraw/zinc/74/47/56/404744756.db2.gz MBWRRROWLFHAQE-JTQLQIEISA-N 0 3 320.780 2.072 20 30 DEEDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)C#N)c1cccc(OC)c1 ZINC000357824636 404745409 /nfs/dbraw/zinc/74/54/09/404745409.db2.gz KURJFWSQIIRXQT-XJKSGUPXSA-N 0 3 303.406 2.354 20 30 DEEDHN COc1cc(CN[C@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1C#N ZINC000353113833 404746305 /nfs/dbraw/zinc/74/63/05/404746305.db2.gz ARBPLAVAVQUGAG-WMLDXEAASA-N 0 3 315.417 2.350 20 30 DEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000353134472 404751100 /nfs/dbraw/zinc/75/11/00/404751100.db2.gz HQAJFQSZZNAGNM-GOEBONIOSA-N 0 3 303.381 2.480 20 30 DEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1(O)CCC1 ZINC000353461113 404836532 /nfs/dbraw/zinc/83/65/32/404836532.db2.gz AFNBOCRDKLBDIP-UHFFFAOYSA-N 0 3 310.401 2.306 20 30 DEEDHN C=CCOc1cccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000415021949 404789455 /nfs/dbraw/zinc/78/94/55/404789455.db2.gz YZZGXYWROSXRMO-WFASDCNBSA-N 0 3 319.405 2.486 20 30 DEEDHN CC(C)(C#N)CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353298244 404795057 /nfs/dbraw/zinc/79/50/57/404795057.db2.gz VGBAJKIMYJPPOW-INIZCTEOSA-N 0 3 314.433 2.500 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000353306171 404797459 /nfs/dbraw/zinc/79/74/59/404797459.db2.gz GCNZYNHEZHVARL-LMMKCTJWSA-N 0 3 318.461 2.145 20 30 DEEDHN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000353430133 404829338 /nfs/dbraw/zinc/82/93/38/404829338.db2.gz IKHSILRPKDUXPK-CQSZACIVSA-N 0 3 303.406 2.256 20 30 DEEDHN C[C@H]1[C@H](NCc2cc(C#N)n(C)c2)CC(=O)N1Cc1ccccc1 ZINC000366991453 404891769 /nfs/dbraw/zinc/89/17/69/404891769.db2.gz SBOFMCXOYYUBCT-KBXCAEBGSA-N 0 3 322.412 2.176 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000360998288 404872526 /nfs/dbraw/zinc/87/25/26/404872526.db2.gz PBFRNEWJYLCDOH-CXAGYDPISA-N 0 3 308.385 2.137 20 30 DEEDHN CO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435130833 404958009 /nfs/dbraw/zinc/95/80/09/404958009.db2.gz VOYLIDSFHDKKOS-MRXNPFEDSA-N 0 3 311.389 2.079 20 30 DEEDHN N#Cc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1F ZINC000367216165 404968863 /nfs/dbraw/zinc/96/88/63/404968863.db2.gz APJOWCOITGOLLT-AWEZNQCLSA-N 0 3 301.365 2.444 20 30 DEEDHN C[C@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CCN1C ZINC000353728539 404944068 /nfs/dbraw/zinc/94/40/68/404944068.db2.gz WLTSCTUZPHLAQD-BBRMVZONSA-N 0 3 312.417 2.329 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(N)c2)CC1 ZINC000415829856 404952561 /nfs/dbraw/zinc/95/25/61/404952561.db2.gz FQERIUWGAQVATK-UHFFFAOYSA-N 0 3 304.394 2.049 20 30 DEEDHN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424096885 405003938 /nfs/dbraw/zinc/00/39/38/405003938.db2.gz YVWRLTWMTBCAGP-CQSZACIVSA-N 0 3 314.389 2.303 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCCOc1cccc2ccccc21 ZINC000424095226 405004805 /nfs/dbraw/zinc/00/48/05/405004805.db2.gz WUMIDCWHJCTWDV-MRXNPFEDSA-N 0 3 311.385 2.356 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000424099000 405005774 /nfs/dbraw/zinc/00/57/74/405005774.db2.gz FCBGCPVOECJEIR-KBPBESRZSA-N 0 3 305.353 2.177 20 30 DEEDHN COc1ccc(CC[C@H](C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424099931 405005841 /nfs/dbraw/zinc/00/58/41/405005841.db2.gz NFAABCGEEBHAQY-XJKSGUPXSA-N 0 3 303.406 2.154 20 30 DEEDHN CCCOc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424105845 405009090 /nfs/dbraw/zinc/00/90/90/405009090.db2.gz WVMSYDBPNDCIMW-CQSZACIVSA-N 0 3 319.405 2.121 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1sccc1Br ZINC000424114714 405011761 /nfs/dbraw/zinc/01/17/61/405011761.db2.gz SAZXPEKZEYRFSF-SECBINFHSA-N 0 3 316.224 2.148 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000424118362 405013011 /nfs/dbraw/zinc/01/30/11/405013011.db2.gz DHICMOUXIZDZKM-HOCLYGCPSA-N 0 3 303.381 2.238 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(-n2cccn2)c1 ZINC000424131356 405017093 /nfs/dbraw/zinc/01/70/93/405017093.db2.gz UWYQWVITGUYMSD-CZUORRHYSA-N 0 3 311.389 2.071 20 30 DEEDHN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](N)CCCC#N)cs1 ZINC000424143029 405020375 /nfs/dbraw/zinc/02/03/75/405020375.db2.gz JIFHSLDFMVXHPX-WCQYABFASA-N 0 3 324.450 2.220 20 30 DEEDHN CCc1csc([C@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)n1 ZINC000424152046 405023953 /nfs/dbraw/zinc/02/39/53/405023953.db2.gz HWFMVXOQKWFNPD-JSGCOSHPSA-N 0 3 320.462 2.433 20 30 DEEDHN CN(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424171045 405028114 /nfs/dbraw/zinc/02/81/14/405028114.db2.gz IRQVPSDHTXWELW-CABCVRRESA-N 0 3 322.840 2.080 20 30 DEEDHN CCOc1ccc(Cl)cc1CCNC(=O)[C@@H](N)CCCC#N ZINC000424174537 405029869 /nfs/dbraw/zinc/02/98/69/405029869.db2.gz PGUXXQXJUNPBJJ-AWEZNQCLSA-N 0 3 323.824 2.419 20 30 DEEDHN C=C(C)CS(=O)(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000435445013 404981822 /nfs/dbraw/zinc/98/18/22/404981822.db2.gz CARVZCNKJCOMKE-CQSZACIVSA-N 0 3 302.484 2.383 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1OC(F)(F)F ZINC000424060323 404989731 /nfs/dbraw/zinc/98/97/31/404989731.db2.gz HIMGTMKUVWDQGA-LLVKDONJSA-N 0 3 315.295 2.223 20 30 DEEDHN C[C@@H](OCCCNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424065028 404991476 /nfs/dbraw/zinc/99/14/76/404991476.db2.gz LEOHEIUCMGQQPW-ZBFHGGJFSA-N 0 3 303.406 2.292 20 30 DEEDHN COc1cc(NC(=O)[C@H](N)CCCC#N)c(OC)cc1Cl ZINC000424073025 404995686 /nfs/dbraw/zinc/99/56/86/404995686.db2.gz DUWYPFDVBCPGHT-SNVBAGLBSA-N 0 3 311.769 2.317 20 30 DEEDHN CN(Cc1ccccc1Br)C(=O)[C@H](N)CCCC#N ZINC000424074740 404996473 /nfs/dbraw/zinc/99/64/73/404996473.db2.gz HURHAYCQUWPJKE-CYBMUJFWSA-N 0 3 324.222 2.429 20 30 DEEDHN COc1ccc2ccccc2c1CNC(=O)[C@H](N)CCCC#N ZINC000424082993 404999890 /nfs/dbraw/zinc/99/98/90/404999890.db2.gz MONJLHSMXBKSBS-MRXNPFEDSA-N 0 3 311.385 2.486 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000424497430 405106348 /nfs/dbraw/zinc/10/63/48/405106348.db2.gz XAHWQHMGMJNOGW-KSZLIROESA-N 0 3 314.429 2.358 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000408104629 405114089 /nfs/dbraw/zinc/11/40/89/405114089.db2.gz FCFOSHJRMCCSRM-YPMHNXCESA-N 0 3 318.808 2.305 20 30 DEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418634723 405144792 /nfs/dbraw/zinc/14/47/92/405144792.db2.gz JQTBLVDTWLDTRM-OAHLLOKOSA-N 0 3 300.406 2.065 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN(CC)[C@H]1CCOC1 ZINC000361586168 405145961 /nfs/dbraw/zinc/14/59/61/405145961.db2.gz GRJYWOZNOIDRMV-IRXDYDNUSA-N 0 3 305.418 2.266 20 30 DEEDHN CCNC(=O)[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000354322131 405156741 /nfs/dbraw/zinc/15/67/41/405156741.db2.gz MSUGMNDKGBHKQT-JKSUJKDBSA-N 0 3 315.417 2.036 20 30 DEEDHN N#Cc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000439453041 405279164 /nfs/dbraw/zinc/27/91/64/405279164.db2.gz NNWWPFYIYXUCNO-OAHLLOKOSA-N 0 3 319.836 2.366 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000438052564 405229784 /nfs/dbraw/zinc/22/97/84/405229784.db2.gz IZPZBJKYPBQVII-ZACQAIPSSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCOc1ccccc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425055934 405238073 /nfs/dbraw/zinc/23/80/73/405238073.db2.gz IPYUNLHHUHPLKP-GOEBONIOSA-N 0 3 300.402 2.418 20 30 DEEDHN C=CC[C@@H]1N(C(=O)C(=O)N[C@@H](CN)CCCC)CCCC1(C)C ZINC000420116701 405288488 /nfs/dbraw/zinc/28/84/88/405288488.db2.gz GLZGHTUSCDPPFE-CABCVRRESA-N 0 3 323.481 2.213 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)NCC2(C#N)CCC2)cc1 ZINC000419400985 405247989 /nfs/dbraw/zinc/24/79/89/405247989.db2.gz MXADSLQVPHGRBU-UHFFFAOYSA-N 0 3 300.406 2.241 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N1CCOCC(F)(F)C1 ZINC000425972864 405332829 /nfs/dbraw/zinc/33/28/29/405332829.db2.gz CZPBRGZIJYWXQR-CQSZACIVSA-N 0 3 308.328 2.253 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000454491763 405353327 /nfs/dbraw/zinc/35/33/27/405353327.db2.gz PUUWZSFXZMNYLJ-UAGQMJEPSA-N 0 3 317.433 2.150 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420909567 405403126 /nfs/dbraw/zinc/40/31/26/405403126.db2.gz FTJXKRQNKLIEBG-UHFFFAOYSA-N 0 3 304.419 2.069 20 30 DEEDHN C=C(C)CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000454813369 405377242 /nfs/dbraw/zinc/37/72/42/405377242.db2.gz KOVLCBHHVNRVAP-KRWDZBQOSA-N 0 3 317.433 2.019 20 30 DEEDHN CN(CCCNC(=O)C1CCC1)CCOc1ccc(C#N)cc1 ZINC000429551449 405436289 /nfs/dbraw/zinc/43/62/89/405436289.db2.gz YBFDLFFGFBSXHV-UHFFFAOYSA-N 0 3 315.417 2.175 20 30 DEEDHN C=CCN(CCN1CCCOCC1)Cc1ccc(OC)cc1 ZINC000429720531 405445595 /nfs/dbraw/zinc/44/55/95/405445595.db2.gz QLKCSISPCIFDLW-UHFFFAOYSA-N 0 3 304.434 2.406 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCC[C@H]1CCO ZINC000429773145 405448790 /nfs/dbraw/zinc/44/87/90/405448790.db2.gz YLPGTAOLODFKQW-FZMZJTMJSA-N 0 3 321.808 2.291 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000449548887 405607919 /nfs/dbraw/zinc/60/79/19/405607919.db2.gz ROFBLARXMVLIII-XKQJLSEDSA-N 0 3 319.401 2.450 20 30 DEEDHN COCCC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000528573604 405672460 /nfs/dbraw/zinc/67/24/60/405672460.db2.gz LJQTWMGCSMUBLT-KRWDZBQOSA-N 0 3 318.417 2.046 20 30 DEEDHN CN(C)C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000557923248 405635397 /nfs/dbraw/zinc/63/53/97/405635397.db2.gz YOBAIPJOZOPHOF-INIZCTEOSA-N 0 3 312.348 2.125 20 30 DEEDHN COCCc1noc(CC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000528628399 405687474 /nfs/dbraw/zinc/68/74/74/405687474.db2.gz RRJNTUUGXFFPMY-HUUCEWRRSA-N 0 3 318.421 2.205 20 30 DEEDHN C=CCC[C@@H](CO)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000449701397 405698773 /nfs/dbraw/zinc/69/87/73/405698773.db2.gz WFEVCBJUEQPYAC-NSHDSACASA-N 0 3 315.316 2.433 20 30 DEEDHN C=CCN(CCc1ccco1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000638917438 405758437 /nfs/dbraw/zinc/75/84/37/405758437.db2.gz DWSXOAQSGKUHQL-UHFFFAOYSA-N 0 3 320.414 2.158 20 30 DEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000568832132 292369378 /nfs/dbraw/zinc/36/93/78/292369378.db2.gz JASAJJNGEYOUBU-RRQGHBQHSA-N 0 3 312.417 2.054 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCOCCC#N)CC[C@H]21 ZINC000495660715 405929493 /nfs/dbraw/zinc/92/94/93/405929493.db2.gz CERKEADYVZDHEE-HUUCEWRRSA-N 0 3 323.437 2.248 20 30 DEEDHN CC(C#N)C(=O)N1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000496152319 405954308 /nfs/dbraw/zinc/95/43/08/405954308.db2.gz ATZPDXBNPNQQKO-POZPTJLLSA-N 0 3 321.421 2.442 20 30 DEEDHN COCC1(C#N)CCN(C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450930866 405990370 /nfs/dbraw/zinc/99/03/70/405990370.db2.gz NVKPFZNWJMENDW-DOTOQJQBSA-N 0 3 302.418 2.403 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000451109451 406053200 /nfs/dbraw/zinc/05/32/00/406053200.db2.gz CNOKKTOAYDFOPA-LBPRGKRZSA-N 0 3 301.390 2.226 20 30 DEEDHN N#CCCC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000563157430 406058659 /nfs/dbraw/zinc/05/86/59/406058659.db2.gz DKLMZSCITYESPO-UHFFFAOYSA-N 0 3 320.462 2.495 20 30 DEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1cccc(C2CC2)c1 ZINC000564860188 406067516 /nfs/dbraw/zinc/06/75/16/406067516.db2.gz PALVHZJXUGPVAF-KSSFIOAISA-N 0 3 301.434 2.421 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)CCC(C)C)CC1 ZINC000636742690 406070249 /nfs/dbraw/zinc/07/02/49/406070249.db2.gz NJMOFIAZHYGATL-INIZCTEOSA-N 0 3 311.470 2.123 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(C(F)F)CC2)CC1 ZINC000471808060 406120124 /nfs/dbraw/zinc/12/01/24/406120124.db2.gz DEQSHBPPSDYWPX-UHFFFAOYSA-N 0 3 301.381 2.371 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000536356462 406255358 /nfs/dbraw/zinc/25/53/58/406255358.db2.gz WDBXFXMYSLSGDH-KBAYOESNSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]([C@@H](C)O)C1 ZINC000536356453 406256032 /nfs/dbraw/zinc/25/60/32/406256032.db2.gz WDBXFXMYSLSGDH-BPQIPLTHSA-N 0 3 319.445 2.248 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](n2ccnn2)CC1 ZINC000639814866 406267251 /nfs/dbraw/zinc/26/72/51/406267251.db2.gz JDCICZSAZQUJNF-CVEARBPZSA-N 0 3 319.453 2.118 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCOC)[C@@H]1CCC[C@@H]1C ZINC000487948907 406275117 /nfs/dbraw/zinc/27/51/17/406275117.db2.gz FASUGOIOTSQELS-OWCLPIDISA-N 0 3 309.454 2.132 20 30 DEEDHN CC(C)(C#N)CCN1CCN(CCC(C)(C)C#N)[C@@H](CCO)C1 ZINC000521894017 406375498 /nfs/dbraw/zinc/37/54/98/406375498.db2.gz FSNCYGSEICQLNJ-INIZCTEOSA-N 0 3 320.481 2.235 20 30 DEEDHN CCN1CCCN(C(=O)Nc2ccc(C#N)cc2OC)CC1 ZINC000546708845 406375845 /nfs/dbraw/zinc/37/58/45/406375845.db2.gz JTUSWLIANGLWDP-UHFFFAOYSA-N 0 3 302.378 2.126 20 30 DEEDHN O=C1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CCN1 ZINC000634967330 406377551 /nfs/dbraw/zinc/37/75/51/406377551.db2.gz LJIDPSWWGDEISX-AWEZNQCLSA-N 0 3 310.319 2.315 20 30 DEEDHN COCC[C@](C)(O)CN[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000571030423 406469569 /nfs/dbraw/zinc/46/95/69/406469569.db2.gz HAOTVAUBYJWCLO-IRXDYDNUSA-N 0 3 306.406 2.417 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000490831668 406496823 /nfs/dbraw/zinc/49/68/23/406496823.db2.gz WOTZTUONKDITIV-WMLDXEAASA-N 0 3 303.450 2.447 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C1CCCCC1 ZINC000490831667 406497100 /nfs/dbraw/zinc/49/71/00/406497100.db2.gz WOTZTUONKDITIV-RHSMWYFYSA-N 0 3 303.450 2.447 20 30 DEEDHN C=CCC[C@H](C(=O)N[C@@H](CO)CN1CCCC1)c1ccccc1 ZINC000640321220 406465023 /nfs/dbraw/zinc/46/50/23/406465023.db2.gz CIHGIPJJQDFWEU-MSOLQXFVSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCNC(=O)C1CCN(CCSCc2ccccc2)CC1 ZINC000491153994 406534424 /nfs/dbraw/zinc/53/44/24/406534424.db2.gz FZVHSLJMEUFUTM-UHFFFAOYSA-N 0 3 316.470 2.381 20 30 DEEDHN COc1ccc(CN2CCCN(c3cc(C#N)ncn3)CC2)cc1 ZINC000526137867 406551382 /nfs/dbraw/zinc/55/13/82/406551382.db2.gz QIHUCEGXCSGNPJ-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cn(C)c2ccc(F)cc12 ZINC000491303558 406564290 /nfs/dbraw/zinc/56/42/90/406564290.db2.gz BKKOJIIXQPWMKW-UHFFFAOYSA-N 0 3 301.365 2.002 20 30 DEEDHN N#CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000525931067 406519485 /nfs/dbraw/zinc/51/94/85/406519485.db2.gz DKINFXYQRJHSTL-QGZVFWFLSA-N 0 3 306.369 2.393 20 30 DEEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491450528 406595186 /nfs/dbraw/zinc/59/51/86/406595186.db2.gz AXCRVGGQAHCDCX-OLZOCXBDSA-N 0 3 304.390 2.422 20 30 DEEDHN COC1(CCN2CCN(c3cnccc3C#N)CC2)CCC1 ZINC000550105120 406597767 /nfs/dbraw/zinc/59/77/67/406597767.db2.gz KHJNCFNJNZKBKO-UHFFFAOYSA-N 0 3 300.406 2.034 20 30 DEEDHN C#C[C@@H](C)N(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000491462324 406598163 /nfs/dbraw/zinc/59/81/63/406598163.db2.gz ICXNGTPVHOVIKR-OAHLLOKOSA-N 0 3 323.506 2.401 20 30 DEEDHN Cn1c(C#N)ccc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000572046178 406599937 /nfs/dbraw/zinc/59/99/37/406599937.db2.gz YTVUZFPSMYHLPU-IBGZPJMESA-N 0 3 322.412 2.291 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2CO)cc1 ZINC000527467184 406635910 /nfs/dbraw/zinc/63/59/10/406635910.db2.gz RGAXXRODYYFRJW-SFHVURJKSA-N 0 3 319.364 2.049 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCc1cccc(OC(F)F)c1 ZINC000491515101 406608956 /nfs/dbraw/zinc/60/89/56/406608956.db2.gz LUOXZYQOODPBRL-UHFFFAOYSA-N 0 3 324.371 2.292 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCOC3(CCC3)C2)cc1 ZINC000527317697 406617170 /nfs/dbraw/zinc/61/71/70/406617170.db2.gz ICQMXORDKYZWKS-IRXDYDNUSA-N 0 3 323.396 2.458 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000491373519 406579499 /nfs/dbraw/zinc/57/94/99/406579499.db2.gz NHNVWGDDLAPESC-UHFFFAOYSA-N 0 3 323.780 2.242 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1ccccc1C ZINC000491373253 406579629 /nfs/dbraw/zinc/57/96/29/406579629.db2.gz MGOOEBNRQLNUGB-UHFFFAOYSA-N 0 3 301.434 2.482 20 30 DEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(CC=C)cc1OC ZINC000491657890 406653639 /nfs/dbraw/zinc/65/36/39/406653639.db2.gz KOMVKUREAZBMAF-HOCLYGCPSA-N 0 3 303.402 2.117 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1(Cc2ccccc2F)CC1 ZINC000491658902 406653693 /nfs/dbraw/zinc/65/36/93/406653693.db2.gz BLQFCENTCMLGAL-UHFFFAOYSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCN1CCC(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000491701976 406676724 /nfs/dbraw/zinc/67/67/24/406676724.db2.gz LTMQQMXNZALWHS-CQSZACIVSA-N 0 3 317.260 2.422 20 30 DEEDHN C#C[C@@H]1COCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000491703928 406678169 /nfs/dbraw/zinc/67/81/69/406678169.db2.gz SYUJLZDWYJIXCC-GOSISDBHSA-N 0 3 312.413 2.147 20 30 DEEDHN COCCN(CCCc1cncn1C)Cc1ccc(C#N)cc1 ZINC000572494422 406681395 /nfs/dbraw/zinc/68/13/95/406681395.db2.gz VNKWNVCCSZKOAQ-UHFFFAOYSA-N 0 3 312.417 2.373 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000491726471 406689519 /nfs/dbraw/zinc/68/95/19/406689519.db2.gz JOSFLAHGAXRUCE-UHFFFAOYSA-N 0 3 303.381 2.069 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C\c1ccnn1C)C(C)C ZINC000491862727 406752750 /nfs/dbraw/zinc/75/27/50/406752750.db2.gz BCNAWWBLWXMMES-JJEJIETFSA-N 0 3 316.449 2.248 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000491762184 406706080 /nfs/dbraw/zinc/70/60/80/406706080.db2.gz ZHIXUGBTSIUXDR-ZDUSSCGKSA-N 0 3 320.264 2.215 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000491778155 406713931 /nfs/dbraw/zinc/71/39/31/406713931.db2.gz XWRIUQGSHLRVDI-OAHLLOKOSA-N 0 3 305.447 2.454 20 30 DEEDHN C#CCNC(=O)CCNCCOc1ccc(C(C)(C)C)cc1 ZINC000491806362 406729101 /nfs/dbraw/zinc/72/91/01/406729101.db2.gz QWQPSDWPPMOQAA-UHFFFAOYSA-N 0 3 302.418 2.092 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000491810057 406730013 /nfs/dbraw/zinc/73/00/13/406730013.db2.gz YMATZLFRAGSFBD-UHFFFAOYSA-N 0 3 323.780 2.242 20 30 DEEDHN N#Cc1ncn(CCN[C@H]2CCc3cc(F)c(Cl)cc32)n1 ZINC000527900218 406783904 /nfs/dbraw/zinc/78/39/04/406783904.db2.gz UPEXRHDJYCRADF-ZDUSSCGKSA-N 0 3 305.744 2.219 20 30 DEEDHN CCC(CC)(CCO)NCc1cccc(C(=O)OC)c1C#N ZINC000554855368 406826359 /nfs/dbraw/zinc/82/63/59/406826359.db2.gz ORBJBMKTWNCTFB-UHFFFAOYSA-N 0 3 304.390 2.376 20 30 DEEDHN CC(C)[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(F)cc1 ZINC000576089173 406828478 /nfs/dbraw/zinc/82/84/78/406828478.db2.gz KKLLQWZMWMBOJM-IAGOWNOFSA-N 0 3 307.413 2.319 20 30 DEEDHN CC#CC[C@@H](CO)NCc1ccc(OC)c(Br)c1 ZINC000641768802 406888312 /nfs/dbraw/zinc/88/83/12/406888312.db2.gz IRHYSBZOKKLUEQ-LBPRGKRZSA-N 0 3 312.207 2.322 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(F)c1C#N ZINC000571446213 292549911 /nfs/dbraw/zinc/54/99/11/292549911.db2.gz HRCWWISZDCOBOJ-GFCCVEGCSA-N 0 3 303.381 2.500 20 30 DEEDHN C=CCNc1ncc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)s1 ZINC000129224137 196030565 /nfs/dbraw/zinc/03/05/65/196030565.db2.gz HCAUJNLPEUDFEA-NEPJUHHUSA-N 0 3 308.451 2.153 20 30 DEEDHN Cc1nnccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000330085116 225965659 /nfs/dbraw/zinc/96/56/59/225965659.db2.gz CPVANUNWSZITMH-UHFFFAOYSA-N 0 3 303.410 2.281 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NCc1nnc2ccccn21 ZINC000339234546 226183748 /nfs/dbraw/zinc/18/37/48/226183748.db2.gz PQQSKMBEKLBXAT-HNNXBMFYSA-N 0 3 319.368 2.118 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](NCC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000337560683 226138866 /nfs/dbraw/zinc/13/88/66/226138866.db2.gz VCKAJVQWJAPQQU-IIAWOOMASA-N 0 3 313.401 2.298 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CC3(C2)CCCC3)cc1 ZINC000372497860 227092636 /nfs/dbraw/zinc/09/26/36/227092636.db2.gz VEONVWLLVCOSPT-MRXNPFEDSA-N 0 3 300.402 2.368 20 30 DEEDHN C[C@H](N[C@H]1CCCN(CCCO)C1)c1ccc(C#N)c(F)c1 ZINC000297470300 227210685 /nfs/dbraw/zinc/21/06/85/227210685.db2.gz YOKAIGZKSWKFIA-BBRMVZONSA-N 0 3 305.397 2.195 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)o2)c(F)c1 ZINC000413916559 228397050 /nfs/dbraw/zinc/39/70/50/228397050.db2.gz OYPCCGMHBPGHGX-UHFFFAOYSA-N 0 3 317.320 2.483 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)[C@H]1C ZINC001088905224 782035322 /nfs/dbraw/zinc/03/53/22/782035322.db2.gz OGSXTYFCTQYEKO-BMFZPTHFSA-N 0 3 314.429 2.490 20 30 DEEDHN N#Cc1ccc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000602261996 422432372 /nfs/dbraw/zinc/43/23/72/422432372.db2.gz SDVXNHULCIFTSN-INIZCTEOSA-N 0 3 306.369 2.414 20 30 DEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000042185280 424810637 /nfs/dbraw/zinc/81/06/37/424810637.db2.gz OQRVCMACINADLY-MRXNPFEDSA-N 0 3 306.406 2.283 20 30 DEEDHN CCN1CCC(NC(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000329440803 424904922 /nfs/dbraw/zinc/90/49/22/424904922.db2.gz MZZPXMQJPUTCLB-UHFFFAOYSA-N 0 3 320.441 2.594 20 30 DEEDHN CN(C)[C@H](CC(=O)N1CCSC[C@@H]1C#N)c1ccccc1 ZINC000416194513 424956355 /nfs/dbraw/zinc/95/63/55/424956355.db2.gz UBNDNUXNZOAVIW-LSDHHAIUSA-N 0 3 303.431 2.147 20 30 DEEDHN C=C(C)[C@H](CO)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000649407401 425012418 /nfs/dbraw/zinc/01/24/18/425012418.db2.gz KRTJZRNHPMVMIE-STQMWFEESA-N 0 3 316.323 2.491 20 30 DEEDHN C[C@@H]1CN(CCCNc2nc(C#N)c(Cl)s2)CCCO1 ZINC000596209987 425021269 /nfs/dbraw/zinc/02/12/69/425021269.db2.gz VZTSNJUJYZCLBZ-SNVBAGLBSA-N 0 3 314.842 2.581 20 30 DEEDHN CCC#C[C@H](C)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000649922562 425102921 /nfs/dbraw/zinc/10/29/21/425102921.db2.gz PWJCJSOHGVGKPI-DOTOQJQBSA-N 0 3 301.434 2.418 20 30 DEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000660823879 425245517 /nfs/dbraw/zinc/24/55/17/425245517.db2.gz ILCQNUXQBOVQPY-HOCLYGCPSA-N 0 3 311.495 2.421 20 30 DEEDHN C=CCCCS(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000657160458 425271413 /nfs/dbraw/zinc/27/14/13/425271413.db2.gz GZHOZIKCSAWEBW-CQSZACIVSA-N 0 3 300.468 2.279 20 30 DEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC#Cc2ccc(F)cc2)C1 ZINC000661221402 425354563 /nfs/dbraw/zinc/35/45/63/425354563.db2.gz VTVPMQBYMNFQED-JQHSSLGASA-N 0 3 305.393 2.333 20 30 DEEDHN C[C@H](C(=O)NC[C@]1(N(C)C)CCSC1)c1cccc(C#N)c1 ZINC000360331591 267133597 /nfs/dbraw/zinc/13/35/97/267133597.db2.gz FJBHWULLKODWAE-SUMWQHHRSA-N 0 3 317.458 2.215 20 30 DEEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)nn1 ZINC000657689343 425385677 /nfs/dbraw/zinc/38/56/77/425385677.db2.gz LYNCSCIMTCGMJT-NVXWUHKLSA-N 0 3 314.437 2.089 20 30 DEEDHN C=CC[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000661380296 425394586 /nfs/dbraw/zinc/39/45/86/425394586.db2.gz MKDQTVWSIQWMLP-CQSZACIVSA-N 0 3 305.422 2.139 20 30 DEEDHN C=CCCC(C)(C)NCc1c(C)nn(C)c1N1CCOCC1 ZINC000657805362 425402798 /nfs/dbraw/zinc/40/27/98/425402798.db2.gz NHGWBCIRZAMHFZ-UHFFFAOYSA-N 0 3 306.454 2.400 20 30 DEEDHN C=CCN(C(=O)NC[C@H]1CCCCN1C1CC1)[C@@H](C)COC ZINC000664758111 425448034 /nfs/dbraw/zinc/44/80/34/425448034.db2.gz HHZOWXVXTZDLFC-GOEBONIOSA-N 0 3 309.454 2.236 20 30 DEEDHN C=CCC1(NC(=O)C(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000659103637 425528645 /nfs/dbraw/zinc/52/86/45/425528645.db2.gz UGIHEKWNKZMCSP-UHFFFAOYSA-N 0 3 313.401 2.233 20 30 DEEDHN C=CCCOCC(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000655359794 425545440 /nfs/dbraw/zinc/54/54/40/425545440.db2.gz DBKQKDWUXAAOHK-UHFFFAOYSA-N 0 3 306.406 2.467 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cncc(O)c1)C(C)C ZINC000655390302 425552007 /nfs/dbraw/zinc/55/20/07/425552007.db2.gz KTYACDZCIQCRGX-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cncc([O-])c1)C(C)C ZINC000655390302 425552010 /nfs/dbraw/zinc/55/20/10/425552010.db2.gz KTYACDZCIQCRGX-KRWDZBQOSA-N 0 3 317.433 2.145 20 30 DEEDHN C=CCCC1(CNC(=O)NC[C@@](C)(O)CN(C)C)CCCC1 ZINC000665589457 425603026 /nfs/dbraw/zinc/60/30/26/425603026.db2.gz VSZGYKVIIBFBOV-MRXNPFEDSA-N 0 3 311.470 2.125 20 30 DEEDHN C=CCNC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)nc1 ZINC000656228304 425738825 /nfs/dbraw/zinc/73/88/25/425738825.db2.gz VNEQMFBNMZTQDJ-HZPDHXFCSA-N 0 3 314.433 2.426 20 30 DEEDHN C=CCN(CCc1ccco1)CCc1nnn(C(C)(C)C)n1 ZINC000660226173 425770790 /nfs/dbraw/zinc/77/07/90/425770790.db2.gz UWBHIQISPHDVCT-UHFFFAOYSA-N 0 3 303.410 2.294 20 30 DEEDHN Cc1cc(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c[nH]c1=O ZINC000527317985 268010297 /nfs/dbraw/zinc/01/02/97/268010297.db2.gz KANOQBUEJDKAAB-AWEZNQCLSA-N 0 3 306.325 2.288 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC[C@H](n3ccnn3)C2)c1 ZINC000425502629 268283910 /nfs/dbraw/zinc/28/39/10/268283910.db2.gz QPDIBOJMRDWOME-INIZCTEOSA-N 0 3 311.389 2.256 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2cccc(C#N)c2)CCSC1 ZINC000267135931 273812068 /nfs/dbraw/zinc/81/20/68/273812068.db2.gz DMRZBVSTYIHVNF-OAHLLOKOSA-N 0 3 304.419 2.117 20 30 DEEDHN C[C@@H]1COCCN1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000375610651 274379260 /nfs/dbraw/zinc/37/92/60/274379260.db2.gz GWCBNLPVWGVDDP-MRXNPFEDSA-N 0 3 311.429 2.368 20 30 DEEDHN OC[C@@]1([C@H](NCC#Cc2ccc(F)cc2)C2CC2)CCCO1 ZINC000339759676 275049330 /nfs/dbraw/zinc/04/93/30/275049330.db2.gz SPQQEDRXRIGPRX-QZTJIDSGSA-N 0 3 303.377 2.087 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411784219 275436951 /nfs/dbraw/zinc/43/69/51/275436951.db2.gz GZFMPUOVYLLANC-HZMVEIRTSA-N 0 3 306.450 2.491 20 30 DEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC#Cc1cccc(F)c1 ZINC000338040357 275584267 /nfs/dbraw/zinc/58/42/67/275584267.db2.gz AEKWDEYLPQWBTP-KRWDZBQOSA-N 0 3 319.424 2.453 20 30 DEEDHN CCN(CCCC1(C#N)CCOCC1)C[C@@H](O)C(F)(F)F ZINC000337201235 276122550 /nfs/dbraw/zinc/12/25/50/276122550.db2.gz FSMSGGJYVOJBNC-GFCCVEGCSA-N 0 3 308.344 2.332 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)CSc1ccc(C#N)cc1 ZINC000103186595 276171560 /nfs/dbraw/zinc/17/15/60/276171560.db2.gz LNBDYCJXHRRVAI-CQSZACIVSA-N 0 3 303.431 2.251 20 30 DEEDHN CCN1CCN([C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000118532884 276387705 /nfs/dbraw/zinc/38/77/05/276387705.db2.gz BKNYTWVBMMXLFW-LPHOPBHVSA-N 0 3 312.461 2.331 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H](COC)C2)CC1 ZINC000377315409 276861983 /nfs/dbraw/zinc/86/19/83/276861983.db2.gz CUHNTAPNNOBYQI-MRXNPFEDSA-N 0 3 323.481 2.485 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000164284074 277157298 /nfs/dbraw/zinc/15/72/98/277157298.db2.gz IESDYGKJGZLEHB-IUODEOHRSA-N 0 3 319.355 2.393 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000272477414 277175581 /nfs/dbraw/zinc/17/55/81/277175581.db2.gz LTGBBWDOJXHUKC-WMLDXEAASA-N 0 3 309.413 2.408 20 30 DEEDHN CS(=O)(=O)N(CCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000288566876 278108454 /nfs/dbraw/zinc/10/84/54/278108454.db2.gz JXOTXXASJJZGFK-UHFFFAOYSA-N 0 3 321.446 2.200 20 30 DEEDHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C1=CCN(C)CC1 ZINC000329517478 278132380 /nfs/dbraw/zinc/13/23/80/278132380.db2.gz PIUNNAOKTRBZBI-GXTWGEPZSA-N 0 3 307.438 2.240 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@H]1N(C)C ZINC000271769993 278148021 /nfs/dbraw/zinc/14/80/21/278148021.db2.gz INPNBRMXTPWKHI-GUFYHEMZSA-N 0 3 315.442 2.075 20 30 DEEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000328624614 279025992 /nfs/dbraw/zinc/02/59/92/279025992.db2.gz ZQOUKVOMCVBASS-FPMFFAJLSA-N 0 3 309.410 2.094 20 30 DEEDHN C[C@H](CNC(=O)CSc1ccc(C#N)cc1)N(C)C1CC1 ZINC000103085367 279327607 /nfs/dbraw/zinc/32/76/07/279327607.db2.gz USVIMTKPMAAGNC-GFCCVEGCSA-N 0 3 303.431 2.249 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000424087892 279480053 /nfs/dbraw/zinc/48/00/53/279480053.db2.gz SHFVVZWWCKGWTE-GJZGRUSLSA-N 0 3 303.431 2.324 20 30 DEEDHN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(OC)cc1 ZINC000120216972 280965387 /nfs/dbraw/zinc/96/53/87/280965387.db2.gz TWFMBPVTYDJQRA-CJNGLKHVSA-N 0 3 303.406 2.496 20 30 DEEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1C ZINC000068310475 281523673 /nfs/dbraw/zinc/52/36/73/281523673.db2.gz PNTDRFLAXPJBQR-UHFFFAOYSA-N 0 3 324.428 2.409 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000347094140 289236252 /nfs/dbraw/zinc/23/62/52/289236252.db2.gz VTRZNRXIMNACJZ-MNOVXSKESA-N 0 3 309.316 2.143 20 30 DEEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000451635870 293713927 /nfs/dbraw/zinc/71/39/27/293713927.db2.gz YRGZSSFUGOUFRT-USXIJHARSA-N 0 3 315.417 2.479 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000442783614 303160803 /nfs/dbraw/zinc/16/08/03/303160803.db2.gz UPVDZDLTTADNPZ-JLSDUUJJSA-N 0 3 317.408 2.481 20 30 DEEDHN CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001099069043 782083414 /nfs/dbraw/zinc/08/34/14/782083414.db2.gz AAIDLWQUDVZZKX-MRXNPFEDSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H]1C ZINC001088955247 782077239 /nfs/dbraw/zinc/07/72/39/782077239.db2.gz ZLPMRVBXXJQJEC-PBHICJAKSA-N 0 3 310.401 2.251 20 30 DEEDHN COC(C)(C)C[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000567689939 325842244 /nfs/dbraw/zinc/84/22/44/325842244.db2.gz UIXLXHZJWTYVHM-CYBMUJFWSA-N 0 3 324.446 2.125 20 30 DEEDHN N#Cc1ccccc1N1CCC[N@@H+](Cc2ncccc2[O-])CC1 ZINC000573486710 326062195 /nfs/dbraw/zinc/06/21/95/326062195.db2.gz NTFKAHSECNSATM-UHFFFAOYSA-N 0 3 308.385 2.371 20 30 DEEDHN N#Cc1ccccc1N1CCC[N@H+](Cc2ncccc2[O-])CC1 ZINC000573486710 326062197 /nfs/dbraw/zinc/06/21/97/326062197.db2.gz NTFKAHSECNSATM-UHFFFAOYSA-N 0 3 308.385 2.371 20 30 DEEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000574205976 326132609 /nfs/dbraw/zinc/13/26/09/326132609.db2.gz RMYVBXSEGHDWKD-CYBMUJFWSA-N 0 3 321.384 2.370 20 30 DEEDHN CN1CCC[C@H](CNc2ccnc(C#N)n2)[C@H]1c1cccs1 ZINC000574464196 326157845 /nfs/dbraw/zinc/15/78/45/326157845.db2.gz AQIREIPDMNZERC-WBMJQRKESA-N 0 3 313.430 2.327 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583419727 332397720 /nfs/dbraw/zinc/39/77/20/332397720.db2.gz YJADMBYKKZLWIG-CVEARBPZSA-N 0 3 323.481 2.483 20 30 DEEDHN C#CCN1CCC(C(=O)NCc2nc(C(C)C)cs2)CC1 ZINC000151286104 332568851 /nfs/dbraw/zinc/56/88/51/332568851.db2.gz XKTLQOTYZVZLDC-UHFFFAOYSA-N 0 3 305.447 2.228 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CNCc1cccn1C ZINC000570081929 332709249 /nfs/dbraw/zinc/70/92/49/332709249.db2.gz NXVGUURQGIOPBC-QGZVFWFLSA-N 0 3 300.402 2.283 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NC1(c2ccccc2)CCC1 ZINC000571274918 333696156 /nfs/dbraw/zinc/69/61/56/333696156.db2.gz BPCMOPAIVADTAI-CVEARBPZSA-N 0 3 300.402 2.115 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](C(C)C)C2)CC1 ZINC000352132722 336196097 /nfs/dbraw/zinc/19/60/97/336196097.db2.gz LVMUVBHHQZLBKA-MRXNPFEDSA-N 0 3 309.454 2.093 20 30 DEEDHN C=CCOCc1nc(-c2ccccc2OCCN(C)C)no1 ZINC000356713436 336558937 /nfs/dbraw/zinc/55/89/37/336558937.db2.gz UMBCESFRMRZZHM-UHFFFAOYSA-N 0 3 303.362 2.380 20 30 DEEDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ncncc1C#N ZINC000398019113 337304098 /nfs/dbraw/zinc/30/40/98/337304098.db2.gz JBCWYRQTCAZKJM-KRWDZBQOSA-N 0 3 309.417 2.339 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000525950328 337305766 /nfs/dbraw/zinc/30/57/66/337305766.db2.gz YGZBMPPPMBANIA-AEFFLSMTSA-N 0 3 307.482 2.216 20 30 DEEDHN Cc1ccc(SC[C@@H](C)NC[C@H](O)CN(C)CCC#N)cc1 ZINC000583748649 337328871 /nfs/dbraw/zinc/32/88/71/337328871.db2.gz QGDNGYZZNIQBAY-CVEARBPZSA-N 0 3 321.490 2.272 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](CC)NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001356921822 1152181654 /nfs/dbraw/zinc/18/16/54/1152181654.db2.gz VNBJBEMYKMIILV-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1ccc(C[C@H](C)CN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424167675 337790458 /nfs/dbraw/zinc/79/04/58/337790458.db2.gz HIFJUVFQWLDCOA-WMLDXEAASA-N 0 3 317.433 2.353 20 30 DEEDHN N#CCCC1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000516472860 338013216 /nfs/dbraw/zinc/01/32/16/338013216.db2.gz NOHPXAMLPAYQJA-QGZVFWFLSA-N 0 3 319.449 2.172 20 30 DEEDHN CC(C#N)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000502717664 340112178 /nfs/dbraw/zinc/11/21/78/340112178.db2.gz DCDASOBNUUAFSA-XTQGRXLLSA-N 0 3 314.389 2.062 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)[C@H]1C ZINC001089006168 782111125 /nfs/dbraw/zinc/11/11/25/782111125.db2.gz QRWAFQXRATWTJT-NEPJUHHUSA-N 0 3 301.415 2.445 20 30 DEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(CC#N)CC1 ZINC000542855008 341023676 /nfs/dbraw/zinc/02/36/76/341023676.db2.gz YLGDXFJIIBGDAT-GJZGRUSLSA-N 0 3 306.454 2.442 20 30 DEEDHN N#CCC1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000543807890 341059906 /nfs/dbraw/zinc/05/99/06/341059906.db2.gz SVLRHIAGYLQMKS-INIZCTEOSA-N 0 3 306.381 2.329 20 30 DEEDHN N#CCSCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072519529 341089656 /nfs/dbraw/zinc/08/96/56/341089656.db2.gz ILKLVGNJYGGARD-LBPRGKRZSA-N 0 3 321.406 2.123 20 30 DEEDHN CCc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)on1 ZINC000547771868 341231857 /nfs/dbraw/zinc/23/18/57/341231857.db2.gz SFNQAZIPXQLMNS-AWEZNQCLSA-N 0 3 308.341 2.107 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCc2cccs2)cc1 ZINC000551947258 341355816 /nfs/dbraw/zinc/35/58/16/341355816.db2.gz LRPHWNJIJJPGSO-CQSZACIVSA-N 0 3 302.399 2.344 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000576389265 341843751 /nfs/dbraw/zinc/84/37/51/341843751.db2.gz CLIYWSALCOAQKR-GOSISDBHSA-N 0 3 321.380 2.154 20 30 DEEDHN N#CC1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCCC1 ZINC000577525486 341915654 /nfs/dbraw/zinc/91/56/54/341915654.db2.gz BVBFYZXFOIORGK-DZGCQCFKSA-N 0 3 301.365 2.163 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C(CC)CC)CCOCC1 ZINC001377185470 1160019259 /nfs/dbraw/zinc/01/92/59/1160019259.db2.gz LVKJKZIUXVJKNJ-UHFFFAOYSA-N 0 3 302.846 2.430 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)c1ccc(F)cc1 ZINC001329874550 1149007124 /nfs/dbraw/zinc/00/71/24/1149007124.db2.gz IGKIKZOMNKFBOH-KRWDZBQOSA-N 0 3 320.408 2.354 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)Cn1nc(C)cc1C ZINC001329923767 1149016587 /nfs/dbraw/zinc/01/65/87/1149016587.db2.gz ORCLNTPYOVSKDT-INIZCTEOSA-N 0 3 304.438 2.047 20 30 DEEDHN C=C(Br)CNC[C@@H](NC(=O)C1CC1)C(C)(C)C ZINC001369531709 1149022031 /nfs/dbraw/zinc/02/20/31/1149022031.db2.gz CRAZLBQSLGMQFQ-LLVKDONJSA-N 0 3 303.244 2.426 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2(COC)CCCCC2)C1 ZINC001329998834 1149030959 /nfs/dbraw/zinc/03/09/59/1149030959.db2.gz IDKBCSVAHRBBGW-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@H]1C ZINC001089071610 782147911 /nfs/dbraw/zinc/14/79/11/782147911.db2.gz NDZOGBZKGYXVJK-PMPSAXMXSA-N 0 3 304.438 2.216 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CC2CCC(OC)CC2)C1 ZINC001330087905 1149048692 /nfs/dbraw/zinc/04/86/92/1149048692.db2.gz FEMKIARQWJUALO-HPUBIQBYSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnc(C)nc2C)CCCC1 ZINC001378715753 1152422200 /nfs/dbraw/zinc/42/22/00/1152422200.db2.gz GBUPYLCNXGGRBQ-UHFFFAOYSA-N 0 3 322.840 2.478 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccncc2C)C(C)(C)C1 ZINC001330193892 1149065333 /nfs/dbraw/zinc/06/53/33/1149065333.db2.gz SQLXMTKFKUKYKS-INIZCTEOSA-N 0 3 317.433 2.033 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)Cc1ccoc1 ZINC001378769218 1152440728 /nfs/dbraw/zinc/44/07/28/1152440728.db2.gz ZASSWQPFLVHEBS-LBPRGKRZSA-N 0 3 317.414 2.392 20 30 DEEDHN C/C=C(\C)C(=O)NCC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001330280671 1149085096 /nfs/dbraw/zinc/08/50/96/1149085096.db2.gz NQZRBKHAXJTZBV-IDBKXXLLSA-N 0 3 309.413 2.318 20 30 DEEDHN C[C@H](NC[C@H](O)COCC(F)(F)F)c1ccc(C#N)cc1 ZINC000292444325 533901289 /nfs/dbraw/zinc/90/12/89/533901289.db2.gz NENZYHIBNYLUGG-GWCFXTLKSA-N 0 3 302.296 2.149 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H]([C@H](C)NCc2ccccc2F)C1 ZINC001330382421 1149104802 /nfs/dbraw/zinc/10/48/02/1149104802.db2.gz IKDMHIYECSFGRO-WMLDXEAASA-N 0 3 320.408 2.497 20 30 DEEDHN C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)C(C)(C)C[NH+](C)C ZINC000330390934 534280901 /nfs/dbraw/zinc/28/09/01/534280901.db2.gz ZLRFTNLCLHETEC-VIFPVBQESA-N 0 3 307.373 2.378 20 30 DEEDHN C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)C(C)(C)C[NH+](C)C ZINC000330390934 534280903 /nfs/dbraw/zinc/28/09/03/534280903.db2.gz ZLRFTNLCLHETEC-VIFPVBQESA-N 0 3 307.373 2.378 20 30 DEEDHN Cc1noc(C)c1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000331327449 534329568 /nfs/dbraw/zinc/32/95/68/534329568.db2.gz PHMJWTMFTBAYMH-AWEZNQCLSA-N 0 3 308.426 2.415 20 30 DEEDHN CCN(CCCS(=O)(=O)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000336859686 521040556 /nfs/dbraw/zinc/04/05/56/521040556.db2.gz JUXICBXNPIYGIE-CQSZACIVSA-N 0 3 323.462 2.223 20 30 DEEDHN Cc1cnc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)s1 ZINC000330466464 534568053 /nfs/dbraw/zinc/56/80/53/534568053.db2.gz WYVYJBGYTQJHCN-LBPRGKRZSA-N 0 3 312.439 2.040 20 30 DEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(C#N)[nH]1 ZINC000160942137 521751001 /nfs/dbraw/zinc/75/10/01/521751001.db2.gz KDUOMWGABGHTGZ-UHFFFAOYSA-N 0 3 314.364 2.229 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000451599214 534610271 /nfs/dbraw/zinc/61/02/71/534610271.db2.gz OCILPIIRFWDMPH-OJDYBEQGSA-N 0 3 306.381 2.325 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000451599003 534610721 /nfs/dbraw/zinc/61/07/21/534610721.db2.gz MPYDAQCQEYUUTJ-SRABZTEZSA-N 0 3 302.418 2.228 20 30 DEEDHN C=CCCCS(=O)(=O)NC[C@@H]1CCCN(CC(C)C)C1 ZINC000489716617 534742428 /nfs/dbraw/zinc/74/24/28/534742428.db2.gz INXQHOHXBSJHAS-HNNXBMFYSA-N 0 3 302.484 2.240 20 30 DEEDHN CNC(=O)COc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000353127655 524075219 /nfs/dbraw/zinc/07/52/19/524075219.db2.gz PUDSUMRDAAQDBS-UHFFFAOYSA-N 0 3 323.396 2.281 20 30 DEEDHN C[C@@H]1CCCCN1CCNC(=O)NCCc1cccc(C#N)c1 ZINC000337226847 524106006 /nfs/dbraw/zinc/10/60/06/524106006.db2.gz RIMDIFCOMWHXIO-OAHLLOKOSA-N 0 3 314.433 2.274 20 30 DEEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000441673916 534802163 /nfs/dbraw/zinc/80/21/63/534802163.db2.gz JCOUXCDNZKHZDG-JKSUJKDBSA-N 0 3 324.384 2.467 20 30 DEEDHN N#Cc1ccnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000295030676 534824822 /nfs/dbraw/zinc/82/48/22/534824822.db2.gz NAWJZVWBKLHQKO-QGZVFWFLSA-N 0 3 323.400 2.051 20 30 DEEDHN CNC(=O)c1cccc(CN2CCC([C@@H](C)NC(C)=O)CC2)c1 ZINC000331098402 526410735 /nfs/dbraw/zinc/41/07/35/526410735.db2.gz BSXWRWZEVJJEKW-CYBMUJFWSA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000376753783 526425078 /nfs/dbraw/zinc/42/50/78/526425078.db2.gz CSUDNYNWDVTXQG-MRXNPFEDSA-N 0 3 317.437 2.297 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCO[C@@H](C)C2)CC1 ZINC000334002151 526592181 /nfs/dbraw/zinc/59/21/81/526592181.db2.gz JRTYLJVOIZVEDY-GJZGRUSLSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C2(OC)CCC2)CC1 ZINC000413229391 526592948 /nfs/dbraw/zinc/59/29/48/526592948.db2.gz COFDTQOZNBFVEL-AWEZNQCLSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192746737 526628005 /nfs/dbraw/zinc/62/80/05/526628005.db2.gz IPCHMSJMFRYUOO-HLLBOEOZSA-N 0 3 302.418 2.435 20 30 DEEDHN N#Cc1ccc(N2CCN(C[C@H]3CCCOC3)CC2)c(F)c1 ZINC000336857116 526645165 /nfs/dbraw/zinc/64/51/65/526645165.db2.gz QJNGHGDRTRVYQL-OAHLLOKOSA-N 0 3 303.381 2.246 20 30 DEEDHN C=C(C)COc1cc(CN[C@H]2C(=O)NCC[C@@H]2C)ccc1OC ZINC000193696603 526663121 /nfs/dbraw/zinc/66/31/21/526663121.db2.gz CKZCXQMUCNUCAY-SUMWQHHRSA-N 0 3 318.417 2.264 20 30 DEEDHN C#CCCCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000192109938 526681657 /nfs/dbraw/zinc/68/16/57/526681657.db2.gz NQSWIEPFTQASBL-UHFFFAOYSA-N 0 3 314.429 2.063 20 30 DEEDHN N#Cc1cccc(OCCCN2CCC(c3nnc[nH]3)CC2)c1 ZINC000156676200 526726111 /nfs/dbraw/zinc/72/61/11/526726111.db2.gz MMXMBZJQHAQITE-UHFFFAOYSA-N 0 3 311.389 2.325 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370904843 526745494 /nfs/dbraw/zinc/74/54/94/526745494.db2.gz LUXFATUXTWGUAM-QGZVFWFLSA-N 0 3 324.428 2.191 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000292779813 526770292 /nfs/dbraw/zinc/77/02/92/526770292.db2.gz KOTXYFISLXHWMW-KRWDZBQOSA-N 0 3 302.418 2.474 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000376921417 526779098 /nfs/dbraw/zinc/77/90/98/526779098.db2.gz VAHODMHMGIAZJK-NVXWUHKLSA-N 0 3 317.433 2.151 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CCC)CCc1ccccn1 ZINC000297634375 526806536 /nfs/dbraw/zinc/80/65/36/526806536.db2.gz YNJXFQGCFGNHPN-UHFFFAOYSA-N 0 3 316.449 2.001 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(CC=C)Cc1cccc(C#N)c1 ZINC000297598607 526807263 /nfs/dbraw/zinc/80/72/63/526807263.db2.gz VPAKHAIINWTEIS-UHFFFAOYSA-N 0 3 324.428 2.211 20 30 DEEDHN C=CCOc1ccc(CNCCC2(O)CCOCC2)cc1OC ZINC000285451399 526885316 /nfs/dbraw/zinc/88/53/16/526885316.db2.gz JBXHOEULTRRMNT-UHFFFAOYSA-N 0 3 321.417 2.281 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000342090269 526955833 /nfs/dbraw/zinc/95/58/33/526955833.db2.gz IBDMSOIFZIQBMZ-CABCVRRESA-N 0 3 315.417 2.203 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000294585287 527073610 /nfs/dbraw/zinc/07/36/10/527073610.db2.gz YEYPODXJRWCWGL-YOEHRIQHSA-N 0 3 302.418 2.006 20 30 DEEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000341478433 527139532 /nfs/dbraw/zinc/13/95/32/527139532.db2.gz LLOWXQHSGQIQCJ-VEVIJQCQSA-N 0 3 315.417 2.432 20 30 DEEDHN C=CC[C@H](CC)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000341461514 527151371 /nfs/dbraw/zinc/15/13/71/527151371.db2.gz JLYFFEGCDDNAND-HNNXBMFYSA-N 0 3 310.486 2.056 20 30 DEEDHN C=CCCCS(=O)(=O)NCCCN(C)Cc1ccccc1 ZINC000292929490 527241338 /nfs/dbraw/zinc/24/13/38/527241338.db2.gz IMRIWBWMZYNCFU-UHFFFAOYSA-N 0 3 310.463 2.394 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](N)[C@H](C)CC)cc(OC)c1OC ZINC000236982593 527241786 /nfs/dbraw/zinc/24/17/86/527241786.db2.gz WQIAYXSKYONACZ-MLGOLLRUSA-N 0 3 320.433 2.422 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](O)CC1 ZINC000339784360 527264987 /nfs/dbraw/zinc/26/49/87/527264987.db2.gz RSLHFHLDKNBWNA-IAGOWNOFSA-N 0 3 305.418 2.002 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413918565 527490373 /nfs/dbraw/zinc/49/03/73/527490373.db2.gz RKSHAXCTOJLMGT-CJNGLKHVSA-N 0 3 322.380 2.296 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429015107 527633549 /nfs/dbraw/zinc/63/35/49/527633549.db2.gz ZLYQCDPGCOJDPR-XLAORIBOSA-N 0 3 319.493 2.238 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nn(C)cc1C)C(C)C ZINC000411369147 527647440 /nfs/dbraw/zinc/64/74/40/527647440.db2.gz PKWBITWJAHMYEP-HNNXBMFYSA-N 0 3 304.438 2.157 20 30 DEEDHN CCCN1CCC(N(C)S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331309071 528195395 /nfs/dbraw/zinc/19/53/95/528195395.db2.gz GWDRKWXJKAVVBJ-UHFFFAOYSA-N 0 3 315.483 2.062 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc(C#N)s2)C1 ZINC000422233923 529060332 /nfs/dbraw/zinc/06/03/32/529060332.db2.gz ROIDIXIIYYIJLH-GFCCVEGCSA-N 0 3 306.435 2.244 20 30 DEEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492931789 535230720 /nfs/dbraw/zinc/23/07/20/535230720.db2.gz RBZDCDWTFSIBHK-QWHCGFSZSA-N 0 3 309.410 2.394 20 30 DEEDHN CC(C)[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCN1C ZINC000487946708 535262862 /nfs/dbraw/zinc/26/28/62/535262862.db2.gz BYNQQBFEAXOHRI-AWEZNQCLSA-N 0 3 320.462 2.220 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001368678128 1148571337 /nfs/dbraw/zinc/57/13/37/1148571337.db2.gz IJLBSCKOJOTEAP-LBPRGKRZSA-N 0 3 302.846 2.118 20 30 DEEDHN CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)NCc1ccncc1Cl ZINC001378972401 1152513844 /nfs/dbraw/zinc/51/38/44/1152513844.db2.gz XXFJHCCPPDFBDQ-SMDDNHRTSA-N 0 3 308.813 2.125 20 30 DEEDHN C=CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001327513223 1148574727 /nfs/dbraw/zinc/57/47/27/1148574727.db2.gz PMFZNSDZWBDDOM-QZTJIDSGSA-N 0 3 315.461 2.056 20 30 DEEDHN C[C@H](OCc1ccc(F)cc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835057917 649873439 /nfs/dbraw/zinc/87/34/39/649873439.db2.gz GULKUMNAFRYFMR-SWLSCSKDSA-N 0 3 318.348 2.062 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000835068692 649874855 /nfs/dbraw/zinc/87/48/55/649874855.db2.gz HUIULXJHIYZHPW-ZMLRMANQSA-N 0 3 308.740 2.428 20 30 DEEDHN Cc1nc(Cl)ccc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835072257 649875565 /nfs/dbraw/zinc/87/55/65/649875565.db2.gz COERXVMUWMMNOK-ZDUSSCGKSA-N 0 3 319.792 2.354 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)CC(C)(C)O)CC1 ZINC001368778684 1148652128 /nfs/dbraw/zinc/65/21/28/1148652128.db2.gz OEKALUPNWLMIPW-UHFFFAOYSA-N 0 3 316.873 2.460 20 30 DEEDHN CN1CCCC[C@H]1CC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940041 601320277 /nfs/dbraw/zinc/32/02/77/601320277.db2.gz BNPBWKGOVTXYBM-DLBZAZTESA-N 0 3 315.417 2.490 20 30 DEEDHN CN1CCCC[C@H]1CC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940041 601320280 /nfs/dbraw/zinc/32/02/80/601320280.db2.gz BNPBWKGOVTXYBM-DLBZAZTESA-N 0 3 315.417 2.490 20 30 DEEDHN C=C(Cl)CN1CC[C@]2(NC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001379617481 1152654137 /nfs/dbraw/zinc/65/41/37/1152654137.db2.gz FFTJXMRLAYFLHZ-SQWLQELKSA-N 0 3 313.873 2.192 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cncs1 ZINC001379628800 1152658123 /nfs/dbraw/zinc/65/81/23/1152658123.db2.gz HIVSDZLGLMFYQE-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(F)c(Cl)cc3F)[C@@H]2C1 ZINC000978647190 634384054 /nfs/dbraw/zinc/38/40/54/634384054.db2.gz WYAMSEUGXZVBAN-CNDDSTCGSA-N 0 3 324.758 2.159 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cccc1 ZINC001025279526 625322799 /nfs/dbraw/zinc/32/27/99/625322799.db2.gz CZPIZEGJUYUXKR-QZTJIDSGSA-N 0 3 313.445 2.357 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001007559277 625349144 /nfs/dbraw/zinc/34/91/44/625349144.db2.gz GHRJEZVSITYVNP-SNVBAGLBSA-N 0 3 317.311 2.464 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2Cc3ccccc3C2)C1 ZINC001023615334 625350485 /nfs/dbraw/zinc/35/04/85/625350485.db2.gz ITOLKCRPIKCALV-INIZCTEOSA-N 0 3 310.441 2.253 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001023619220 625352742 /nfs/dbraw/zinc/35/27/42/625352742.db2.gz DOUGEFFBTPRTJM-LPHOPBHVSA-N 0 3 310.441 2.253 20 30 DEEDHN C=CC[C@@H](CO)CNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000893281983 625384815 /nfs/dbraw/zinc/38/48/15/625384815.db2.gz BEWYNNVJUVQBMT-GFCCVEGCSA-N 0 3 322.409 2.098 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3cnccc3c2)C1 ZINC001023689661 625390041 /nfs/dbraw/zinc/39/00/41/625390041.db2.gz MXDWKLUIHOQTDN-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cn(CCCC)nc2C)C1 ZINC001023694791 625390967 /nfs/dbraw/zinc/39/09/67/625390967.db2.gz LJSNXXDQIZKWPR-MRXNPFEDSA-N 0 3 316.449 2.067 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cnn(C(C)C)c2C)C1 ZINC001023693579 625391016 /nfs/dbraw/zinc/39/10/16/625391016.db2.gz XZKVVSRDHSMJAT-INIZCTEOSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CC3(C2)CCOCC3)C1 ZINC001023700766 625392085 /nfs/dbraw/zinc/39/20/85/625392085.db2.gz CZIIWOUYYGEWMW-INIZCTEOSA-N 0 3 318.461 2.045 20 30 DEEDHN C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001025382073 625394123 /nfs/dbraw/zinc/39/41/23/625394123.db2.gz SAZWQMIQMMGZAU-LPQXIQMLSA-N 0 3 320.824 2.469 20 30 DEEDHN C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001025388466 625396939 /nfs/dbraw/zinc/39/69/39/625396939.db2.gz HPJYFZOTMBCRGO-NHTCQFRESA-N 0 3 320.824 2.469 20 30 DEEDHN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)[C@H](C)CN1CCO ZINC000930744543 625404213 /nfs/dbraw/zinc/40/42/13/625404213.db2.gz XWGQTIYYCVJYIE-CHWSQXEVSA-N 0 3 307.825 2.099 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2noc3c2C[C@H](C)CC3)C1 ZINC000972649966 625405609 /nfs/dbraw/zinc/40/56/09/625405609.db2.gz GWZMGXNSVRWLQZ-CHWSQXEVSA-N 0 3 303.406 2.132 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3nccnc3c2)C1 ZINC001023740162 625414732 /nfs/dbraw/zinc/41/47/32/625414732.db2.gz BFFHPLKQPFWBIM-OAHLLOKOSA-N 0 3 322.412 2.095 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001018972907 625418882 /nfs/dbraw/zinc/41/88/82/625418882.db2.gz WFKFGXGNSBSLSV-INIZCTEOSA-N 0 3 302.393 2.317 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2nc(C)c(C)s2)C1 ZINC001023756597 625424329 /nfs/dbraw/zinc/42/43/29/625424329.db2.gz XYNHJAIERJZZCN-AWEZNQCLSA-N 0 3 305.447 2.225 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccoc2Br)C1 ZINC000972677708 625434555 /nfs/dbraw/zinc/43/45/55/625434555.db2.gz STBVUNXWNYNCDN-JTQLQIEISA-N 0 3 313.195 2.374 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2COc3ccccc32)C1 ZINC001023775890 625434706 /nfs/dbraw/zinc/43/47/06/625434706.db2.gz LHIVKAVEAMSIJM-NVXWUHKLSA-N 0 3 312.413 2.014 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2conc2C(C)C)C1 ZINC001025443510 625439211 /nfs/dbraw/zinc/43/92/11/625439211.db2.gz SERJYOBUTAAXRR-KBPBESRZSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc3cnccc3o2)C1 ZINC001025472203 625463537 /nfs/dbraw/zinc/46/35/37/625463537.db2.gz ODFZYLDYWKNKHV-ZIAGYGMSSA-N 0 3 311.385 2.291 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001023895364 625470449 /nfs/dbraw/zinc/47/04/49/625470449.db2.gz NMOLQSVPGMINTE-LSDHHAIUSA-N 0 3 310.401 2.046 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C3CC3)on2)C1 ZINC001025496628 625486067 /nfs/dbraw/zinc/48/60/67/625486067.db2.gz UFPIDXOBLCJOCP-TZMCWYRMSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2csc(C)n2)C1 ZINC001025512600 625492872 /nfs/dbraw/zinc/49/28/72/625492872.db2.gz LXXBQTIBUDKGOV-GXTWGEPZSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2conc2C2CC2)C1 ZINC001025532789 625514472 /nfs/dbraw/zinc/51/44/72/625514472.db2.gz CZUHJLBHGBWPPO-DZGCQCFKSA-N 0 3 315.417 2.406 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@](C)(OC)c2ccccc2)C1 ZINC000972747074 625521881 /nfs/dbraw/zinc/52/18/81/625521881.db2.gz DNHNHBKBFHOGPB-SJLPKXTDSA-N 0 3 302.418 2.267 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000972762902 625537091 /nfs/dbraw/zinc/53/70/91/625537091.db2.gz AJMIOFGZMYXXNX-AEFFLSMTSA-N 0 3 314.429 2.409 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2coc(C3CC3)n2)C1 ZINC001025553890 625538040 /nfs/dbraw/zinc/53/80/40/625538040.db2.gz CHADUBRNFNVHHO-DZGCQCFKSA-N 0 3 315.417 2.406 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CCNC(=O)C2CC2)c([O-])c1 ZINC000025258436 625576658 /nfs/dbraw/zinc/57/66/58/625576658.db2.gz DSBHUCWQCTWEQX-LDADJPATSA-N 0 3 303.406 2.184 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CNCc2cc(OC)no2)C1 ZINC001024093767 625578446 /nfs/dbraw/zinc/57/84/46/625578446.db2.gz BAMRWKDMDSVMKA-CYBMUJFWSA-N 0 3 321.421 2.224 20 30 DEEDHN C=C(C)CCN1C[C@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972802112 625580391 /nfs/dbraw/zinc/58/03/91/625580391.db2.gz IZRHNUTZAFMIHQ-LBPRGKRZSA-N 0 3 308.451 2.253 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)OCC2CC2)cc1 ZINC000120275260 622696088 /nfs/dbraw/zinc/69/60/88/622696088.db2.gz RUHYXPZMJSECNN-IAQYHMDHSA-N 0 3 316.357 2.158 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)OCC2CC2)cc1 ZINC000120275422 622697371 /nfs/dbraw/zinc/69/73/71/622697371.db2.gz RUHYXPZMJSECNN-NHYWBVRUSA-N 0 3 316.357 2.158 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C[C@@H]1C ZINC000947602206 625592882 /nfs/dbraw/zinc/59/28/82/625592882.db2.gz IXKXBOGGBYWSQY-XJKSGUPXSA-N 0 3 324.428 2.098 20 30 DEEDHN CC[C@H](F)C(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000969595564 622832725 /nfs/dbraw/zinc/83/27/25/622832725.db2.gz BCDKDRUAMGCBEW-KGLIPLIRSA-N 0 3 307.344 2.136 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC000969697237 622888569 /nfs/dbraw/zinc/88/85/69/622888569.db2.gz RNLIAOGUFNODGR-PVAVHDDUSA-N 0 3 308.466 2.450 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ccnc(OC)c3)C2)C1 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C=C(C)CN1CC([C@H](C)NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC000969992992 623043079 /nfs/dbraw/zinc/04/30/79/623043079.db2.gz RJFAKLDVUAZPPQ-ZDUSSCGKSA-N 0 3 316.449 2.314 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000970036602 623069812 /nfs/dbraw/zinc/06/98/12/623069812.db2.gz BXAQYGNSZGMSNQ-LBPRGKRZSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001020765364 623116078 /nfs/dbraw/zinc/11/60/78/623116078.db2.gz ZKXDCORZNWWUSU-HAQNSBGRSA-N 0 3 324.856 2.321 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(Cl)no2)C1 ZINC001025598936 625623324 /nfs/dbraw/zinc/62/33/24/625623324.db2.gz DDJFWMCRLCFQSU-NEPJUHHUSA-N 0 3 309.797 2.182 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000970110333 623136533 /nfs/dbraw/zinc/13/65/33/623136533.db2.gz UPIBFVZURXFZMO-CQSZACIVSA-N 0 3 311.429 2.034 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000970130366 623158488 /nfs/dbraw/zinc/15/84/88/623158488.db2.gz 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C#CCN1CCC[C@H](CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001023411344 625257969 /nfs/dbraw/zinc/25/79/69/625257969.db2.gz CLZPHLSCNOPTMQ-CQSZACIVSA-N 0 3 300.402 2.233 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2conc2C(C)C)C1 ZINC001023413452 625259079 /nfs/dbraw/zinc/25/90/79/625259079.db2.gz FZRSDLGQHHZPGD-CQSZACIVSA-N 0 3 303.406 2.263 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001023427492 625263758 /nfs/dbraw/zinc/26/37/58/625263758.db2.gz KKJYBKSDVZDJAU-MGPQQGTHSA-N 0 3 322.840 2.094 20 30 DEEDHN C#CCCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnns1 ZINC001025208560 625267095 /nfs/dbraw/zinc/26/70/95/625267095.db2.gz WLKJBDPKNDEOQD-ZIAGYGMSSA-N 0 3 318.446 2.021 20 30 DEEDHN C#CCCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C ZINC001025212032 625268822 /nfs/dbraw/zinc/26/88/22/625268822.db2.gz GYFJXDNRYMCCGA-JKSUJKDBSA-N 0 3 318.461 2.470 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)n(C)n1 ZINC001025211136 625268874 /nfs/dbraw/zinc/26/88/74/625268874.db2.gz SDWODUMQIWFNKQ-SJORKVTESA-N 0 3 316.449 2.374 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001023446386 625272078 /nfs/dbraw/zinc/27/20/78/625272078.db2.gz OUDWHWQSKQVILY-OAHLLOKOSA-N 0 3 323.396 2.417 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2cc(F)ccc2F)C1 ZINC001027693118 634447352 /nfs/dbraw/zinc/44/73/52/634447352.db2.gz SISGKHCQAIUYFF-INIZCTEOSA-N 0 3 320.383 2.453 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cccnc1 ZINC001025221701 625278861 /nfs/dbraw/zinc/27/88/61/625278861.db2.gz OVBHEWJELHCNTA-QZTJIDSGSA-N 0 3 311.429 2.103 20 30 DEEDHN Cc1[nH]ccc1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026767036 625749260 /nfs/dbraw/zinc/74/92/60/625749260.db2.gz RHLFLLNXWUHXAB-OAHLLOKOSA-N 0 3 322.412 2.447 20 30 DEEDHN CCN(C(=O)NCc1ccc(C)c(C#N)c1)[C@@H]1CCN(C)C1 ZINC000926871991 625752696 /nfs/dbraw/zinc/75/26/96/625752696.db2.gz ZHTKINYBBXHONM-MRXNPFEDSA-N 0 3 300.406 2.102 20 30 DEEDHN CC(C)(CCC#N)COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000195074625 625771020 /nfs/dbraw/zinc/77/10/20/625771020.db2.gz NWJUHYMTCWKOQA-ZJUUUORDSA-N 0 3 320.311 2.317 20 30 DEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCCCN1C[C@@H](C)OC ZINC001024479705 625809376 /nfs/dbraw/zinc/80/93/76/625809376.db2.gz NQMNISCWKASPDJ-HZPDHXFCSA-N 0 3 319.449 2.293 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001024541765 625859895 /nfs/dbraw/zinc/85/98/95/625859895.db2.gz QPWGYLQGFLLAAD-AWEZNQCLSA-N 0 3 307.825 2.286 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001024549481 625868102 /nfs/dbraw/zinc/86/81/02/625868102.db2.gz WRRDSHRKQYBRBF-OKZBNKHCSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001024555932 625875490 /nfs/dbraw/zinc/87/54/90/625875490.db2.gz BEODVDDBFAWAFK-QGZVFWFLSA-N 0 3 322.412 2.237 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(CC)o3)[C@@H]2C1 ZINC000978956230 634464254 /nfs/dbraw/zinc/46/42/54/634464254.db2.gz WGFISWBEKDWJER-QKDCVEJESA-N 0 3 300.402 2.081 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024652629 625953311 /nfs/dbraw/zinc/95/33/11/625953311.db2.gz RBGSYRDNCVCWCY-ARFHVFGLSA-N 0 3 316.449 2.070 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2snnc2CC)C1 ZINC000999075851 634471620 /nfs/dbraw/zinc/47/16/20/634471620.db2.gz JJLZNITYJCHSQU-UHFFFAOYSA-N 0 3 314.842 2.046 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(OC)nc2)C1 ZINC000999077092 634471738 /nfs/dbraw/zinc/47/17/38/634471738.db2.gz KPXNZNBDTCZOPE-UHFFFAOYSA-N 0 3 309.797 2.035 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC000999127536 634483171 /nfs/dbraw/zinc/48/31/71/634483171.db2.gz IBZBIYUCMSXKPV-AWEZNQCLSA-N 0 3 313.426 2.114 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC000999125971 634490626 /nfs/dbraw/zinc/49/06/26/634490626.db2.gz OMVBCFWSHWZIJO-UHFFFAOYSA-N 0 3 323.824 2.295 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)CC[C@@H]2C1 ZINC000946518530 634507043 /nfs/dbraw/zinc/50/70/43/634507043.db2.gz VTHUPXSERFKQDA-OKILXGFUSA-N 0 3 322.840 2.255 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999251230 634536347 /nfs/dbraw/zinc/53/63/47/634536347.db2.gz PIKLXEAHUZAZJQ-AWEZNQCLSA-N 0 3 324.856 2.279 20 30 DEEDHN C=CCn1cccc1C(=O)N1CCC[C@@H](NCc2ccccn2)C1 ZINC000999360823 634566293 /nfs/dbraw/zinc/56/62/93/634566293.db2.gz RHIYBQLNCUFGEP-QGZVFWFLSA-N 0 3 324.428 2.464 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)nn2CC)C1 ZINC000999451642 634594574 /nfs/dbraw/zinc/59/45/74/634594574.db2.gz ARGCZUFNTGUDNO-UHFFFAOYSA-N 0 3 310.829 2.157 20 30 DEEDHN CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979520612 634673703 /nfs/dbraw/zinc/67/37/03/634673703.db2.gz RUKJYNAROBYFKB-XHSDSOJGSA-N 0 3 312.413 2.246 20 30 DEEDHN CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000979520612 634673709 /nfs/dbraw/zinc/67/37/09/634673709.db2.gz RUKJYNAROBYFKB-XHSDSOJGSA-N 0 3 312.413 2.246 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2csc(C)n2)C1 ZINC000999800628 634679151 /nfs/dbraw/zinc/67/91/51/634679151.db2.gz PJWNNCFUBLCIMS-UHFFFAOYSA-N 0 3 313.854 2.326 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N[C@H](C)c2n[nH]c(CC)n2)C1 ZINC000999895048 634694470 /nfs/dbraw/zinc/69/44/70/634694470.db2.gz VPWFWLWMDNWOJO-OLZOCXBDSA-N 0 3 319.453 2.221 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H]3CC[C@@H](CC)O3)CC2)CC1 ZINC001000165894 634774720 /nfs/dbraw/zinc/77/47/20/634774720.db2.gz GITQZSMKPOJPNY-IAGOWNOFSA-N 0 3 318.461 2.328 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@H]1SCC ZINC000836341503 650081331 /nfs/dbraw/zinc/08/13/31/650081331.db2.gz PSMACDOOMRITTB-HUUCEWRRSA-N 0 3 311.495 2.305 20 30 DEEDHN C#Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000836427414 650090684 /nfs/dbraw/zinc/09/06/84/650090684.db2.gz DHKMDQPCMCKVDZ-SFHVURJKSA-N 0 3 311.429 2.484 20 30 DEEDHN C=CCn1cc(C(=O)NC[C@@H]2CCCCN2CC=C(C)C)nn1 ZINC001024697834 632930006 /nfs/dbraw/zinc/93/00/06/632930006.db2.gz CJLGPFIINLPCCY-HNNXBMFYSA-N 0 3 317.437 2.015 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2csc(C3CC3)n2)[C@@H](C)C1 ZINC000945639033 632967238 /nfs/dbraw/zinc/96/72/38/632967238.db2.gz BJYAWZQWGFTLJD-JSGCOSHPSA-N 0 3 317.458 2.484 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C(C)(C)C1 ZINC000974584866 633166675 /nfs/dbraw/zinc/16/66/75/633166675.db2.gz FEEKZBPLYDVMHP-HOTGVXAUSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)C(C)(C)C1 ZINC000974642409 633199929 /nfs/dbraw/zinc/19/99/29/633199929.db2.gz IADGEIMDTPYXSY-CQSZACIVSA-N 0 3 321.371 2.483 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C(C)(C)C1 ZINC000974741391 633282333 /nfs/dbraw/zinc/28/23/33/633282333.db2.gz NBNPZMAOJUAOHH-HNNXBMFYSA-N 0 3 318.465 2.329 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000974758027 633283860 /nfs/dbraw/zinc/28/38/60/633283860.db2.gz ULYITVLDIBDKJG-INIZCTEOSA-N 0 3 317.433 2.035 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2coc(OCC)n2)C(C)(C)C1 ZINC000974774988 633298868 /nfs/dbraw/zinc/29/88/68/633298868.db2.gz NRNLKSVAVWKSSC-ZDUSSCGKSA-N 0 3 307.394 2.090 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cnc(OC)nc2)cc1 ZINC000734079540 633326663 /nfs/dbraw/zinc/32/66/63/633326663.db2.gz BEOLVMMGJYIDCF-AWEZNQCLSA-N 0 3 324.340 2.009 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2sc(C)nc2C)C(C)(C)C1 ZINC000974843691 633329212 /nfs/dbraw/zinc/32/92/12/633329212.db2.gz KXPJFXIKYLJPFO-OAHLLOKOSA-N 0 3 319.474 2.152 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cn1 ZINC000734105982 633331282 /nfs/dbraw/zinc/33/12/82/633331282.db2.gz KPRGMSWNICCATR-LJQANCHMSA-N 0 3 319.408 2.457 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2csnc2OC)C1 ZINC001026992204 633332982 /nfs/dbraw/zinc/33/29/82/633332982.db2.gz JBDAWPIJUBUSIY-LBPRGKRZSA-N 0 3 323.462 2.302 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNCc2nccn2CC)C1 ZINC001026988524 633334207 /nfs/dbraw/zinc/33/42/07/633334207.db2.gz INORIAQLFAFVNE-OAHLLOKOSA-N 0 3 318.465 2.443 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cn3ccnc23)C(C)(C)C1 ZINC000974877950 633346870 /nfs/dbraw/zinc/34/68/70/633346870.db2.gz KRTILPTVLRLYPT-MRXNPFEDSA-N 0 3 324.428 2.106 20 30 DEEDHN C[C@@H]1CC(=NNC(=S)N(C)C)CCN1Cc1ccccc1 ZINC000734298995 633353237 /nfs/dbraw/zinc/35/32/37/633353237.db2.gz ICIVHOQOZXPTLW-CYBMUJFWSA-N 0 3 304.463 2.463 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001027041144 633367653 /nfs/dbraw/zinc/36/76/53/633367653.db2.gz PVIGNHBDOPGWJD-YJBOKZPZSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C1CCC(C(=O)N2CC[C@H](CNCc3nccn3C)C2)CC1 ZINC001027041435 633367887 /nfs/dbraw/zinc/36/78/87/633367887.db2.gz VNLWLOPAVITAAX-OAHLLOKOSA-N 0 3 316.449 2.105 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](CNCc3nccs3)C2)C1 ZINC001027051062 633378302 /nfs/dbraw/zinc/37/83/02/633378302.db2.gz PVEQUKLTUBYTPS-CYBMUJFWSA-N 0 3 305.447 2.438 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(OCC)c2)C(C)(C)C1 ZINC000975023388 633386682 /nfs/dbraw/zinc/38/66/82/633386682.db2.gz WXHUTGJQSHNBAK-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)c(OC)c2)C(C)(C)C1 ZINC000975068821 633407377 /nfs/dbraw/zinc/40/73/77/633407377.db2.gz WZYHLOAGJYTVLY-INIZCTEOSA-N 0 3 318.392 2.298 20 30 DEEDHN N#CC(C(=O)CSc1ccc(F)c(F)c1)C(=O)N1CCCC1 ZINC000124750475 633413442 /nfs/dbraw/zinc/41/34/42/633413442.db2.gz MLSUFVGTKKBUBH-LLVKDONJSA-N 0 3 324.352 2.388 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2conc2C(C)C)CC1 ZINC000997136111 633618945 /nfs/dbraw/zinc/61/89/45/633618945.db2.gz AOHNJLQMNDCSAC-CYBMUJFWSA-N 0 3 303.406 2.262 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nccc3cccnc32)CC1 ZINC000997143633 633627309 /nfs/dbraw/zinc/62/73/09/633627309.db2.gz JWNRDWUFALQKOD-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027310008 633631307 /nfs/dbraw/zinc/63/13/07/633631307.db2.gz BUTZUBXPESRCQQ-MRXNPFEDSA-N 0 3 323.400 2.018 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001027423364 633762753 /nfs/dbraw/zinc/76/27/53/633762753.db2.gz WZIGLTUJZYERIS-KRWDZBQOSA-N 0 3 314.429 2.482 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440274 633792552 /nfs/dbraw/zinc/79/25/52/633792552.db2.gz BJFAESDWIVGDAB-CQSZACIVSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440273 633792703 /nfs/dbraw/zinc/79/27/03/633792703.db2.gz BJFAESDWIVGDAB-AWEZNQCLSA-N 0 3 313.873 2.146 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2COC)C1 ZINC001027476697 633858579 /nfs/dbraw/zinc/85/85/79/633858579.db2.gz SXKGAJFFJHBEMM-INIZCTEOSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000997597393 633891372 /nfs/dbraw/zinc/89/13/72/633891372.db2.gz VEGQZHIKJFZSOS-CIRFHOKZSA-N 0 3 300.446 2.439 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnc3ccccc3n2)CC1 ZINC000997617465 633900429 /nfs/dbraw/zinc/90/04/29/633900429.db2.gz HCHMWAKCMGTNQA-AWEZNQCLSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ncc(Cl)s2)CC1 ZINC000997673121 633925109 /nfs/dbraw/zinc/92/51/09/633925109.db2.gz KWWPZAWKHVSQEF-JTQLQIEISA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc[nH]c2CCC)CC1 ZINC000997726394 633950799 /nfs/dbraw/zinc/95/07/99/633950799.db2.gz SYMBUHBCLZLLTK-AWEZNQCLSA-N 0 3 301.434 2.431 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000997736457 633955465 /nfs/dbraw/zinc/95/54/65/633955465.db2.gz VDSGNQWFAQAJEB-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000997733709 633956146 /nfs/dbraw/zinc/95/61/46/633956146.db2.gz CDFJDLCJIAUFCJ-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2conc2CC)CC1 ZINC000997746369 633961883 /nfs/dbraw/zinc/96/18/83/633961883.db2.gz ZFMMVXGSPHFSIU-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2OC)C1 ZINC001027514591 633963656 /nfs/dbraw/zinc/96/36/56/633963656.db2.gz NPSQGXSUIRCMKN-CQSZACIVSA-N 0 3 304.365 2.004 20 30 DEEDHN Cc1nc(C)c(CNCC2CCN(C(=O)C#CC3CC3)CC2)o1 ZINC000997765085 633966869 /nfs/dbraw/zinc/96/68/69/633966869.db2.gz CTLQHLICTDEADE-UHFFFAOYSA-N 0 3 315.417 2.033 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)C(C)(C)C1 ZINC000977421345 633981427 /nfs/dbraw/zinc/98/14/27/633981427.db2.gz JVBNRFJZCGQUKD-MRXNPFEDSA-N 0 3 316.449 2.007 20 30 DEEDHN C=C(C)CN1CCC([C@H](C)NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000997819206 633999729 /nfs/dbraw/zinc/99/97/29/633999729.db2.gz CIYQWKFVTJADRB-AWEZNQCLSA-N 0 3 317.433 2.090 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnn(C(C)C)c2C)C(C)(C)C1 ZINC000977480455 634013700 /nfs/dbraw/zinc/01/37/00/634013700.db2.gz ZLEFHSHNVJSHHH-INIZCTEOSA-N 0 3 316.449 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccnc2N(C)C)C(C)(C)C1 ZINC000977574644 634043809 /nfs/dbraw/zinc/04/38/09/634043809.db2.gz HPTLBKWSGJFNAV-OAHLLOKOSA-N 0 3 316.449 2.164 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@H](C)C1 ZINC000946418897 634047250 /nfs/dbraw/zinc/04/72/50/634047250.db2.gz JWDUCFDDQQXXKX-DGCLKSJQSA-N 0 3 315.373 2.160 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OCC)[C@@H](C)C1 ZINC000946418323 634047751 /nfs/dbraw/zinc/04/77/51/634047751.db2.gz CAMOMOVUMOWDKE-UONOGXRCSA-N 0 3 303.406 2.107 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977655968 634083784 /nfs/dbraw/zinc/08/37/84/634083784.db2.gz ARUSKQDQBMDDKN-GDBMZVCRSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562488 634153035 /nfs/dbraw/zinc/15/30/35/634153035.db2.gz PUMOYAAYIHEHPY-HUUCEWRRSA-N 0 3 315.889 2.248 20 30 DEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2coc(COC)n2)CC1 ZINC000998168614 634157941 /nfs/dbraw/zinc/15/79/41/634157941.db2.gz DWDDQOJYOCYVNV-AWEZNQCLSA-N 0 3 321.421 2.324 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000998164106 634158554 /nfs/dbraw/zinc/15/85/54/634158554.db2.gz GTLIAACYOVSABX-OAHLLOKOSA-N 0 3 314.433 2.237 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cc[nH]c2)CC[C@H]1C(F)(F)F ZINC000998265010 634192927 /nfs/dbraw/zinc/19/29/27/634192927.db2.gz 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N#Cc1ccccc1CN[C@H]1CCC[C@H](NC(=O)c2cnco2)C1 ZINC000981255619 635407440 /nfs/dbraw/zinc/40/74/40/635407440.db2.gz YUNWCVGZXBSXKO-HOTGVXAUSA-N 0 3 324.384 2.377 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cn2)C[C@H]1C ZINC000947731329 635486791 /nfs/dbraw/zinc/48/67/91/635486791.db2.gz LVAALNFRFHYWMQ-QAPCUYQASA-N 0 3 313.445 2.179 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2nccc3ccsc32)CC1 ZINC001001507127 635518808 /nfs/dbraw/zinc/51/88/08/635518808.db2.gz SQEJWVKCJTZDET-UHFFFAOYSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(-c3cnco3)cc2)CC1 ZINC001001539482 635525338 /nfs/dbraw/zinc/52/53/38/635525338.db2.gz MUTRJQHBZFQFDQ-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCc2cncc(OC)c2)CC1 ZINC000981590854 635543828 /nfs/dbraw/zinc/54/38/28/635543828.db2.gz HTYZKKKPCYPXIN-UHFFFAOYSA-N 0 3 317.433 2.133 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC001002020409 635594357 /nfs/dbraw/zinc/59/43/57/635594357.db2.gz KKLDQNMQXUSSQL-ROUUACIJSA-N 0 3 320.477 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C#CCN1C[C@]2(C)CN(C(=O)Cc3ccsc3C)C[C@]2(C)C1 ZINC000982624009 636316312 /nfs/dbraw/zinc/31/63/12/636316312.db2.gz OCKCBAJLCOTVPG-HDICACEKSA-N 0 3 316.470 2.403 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccoc2C(F)(F)F)C1 ZINC001028565852 636342660 /nfs/dbraw/zinc/34/26/60/636342660.db2.gz HGLCQFYCROGMOF-LLVKDONJSA-N 0 3 314.307 2.373 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ncccc3F)C[C@]2(C)C1 ZINC000982670749 636363440 /nfs/dbraw/zinc/36/34/40/636363440.db2.gz JBFFSFGPRJLQJR-CALCHBBNSA-N 0 3 303.381 2.191 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894217663 636486069 /nfs/dbraw/zinc/48/60/69/636486069.db2.gz BWDDHXPWXMXBAW-SWLSCSKDSA-N 0 3 322.361 2.380 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)Cc3ccc(C)s3)C[C@]2(C)C1 ZINC000982818630 636487565 /nfs/dbraw/zinc/48/75/65/636487565.db2.gz AGWBJVDBJFMFCR-HDICACEKSA-N 0 3 316.470 2.403 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001028663976 636579107 /nfs/dbraw/zinc/57/91/07/636579107.db2.gz AWOWYSNCTOGLPQ-AWEZNQCLSA-N 0 3 319.474 2.335 20 30 DEEDHN Cc1oncc1CN[C@H](C)[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004868397 636600177 /nfs/dbraw/zinc/60/01/77/636600177.db2.gz UWEKBQZQETXIIG-DYVFJYSZSA-N 0 3 315.417 2.256 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC001005406888 636735204 /nfs/dbraw/zinc/73/52/04/636735204.db2.gz KCIHBOBXGWTWCJ-UHFFFAOYSA-N 0 3 304.438 2.430 20 30 DEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)[C@H]3CC34CC4)C2)c1 ZINC001028827875 636764261 /nfs/dbraw/zinc/76/42/61/636764261.db2.gz FKWJDUFSMGAPNF-IAGOWNOFSA-N 0 3 309.413 2.296 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC001005677635 636813996 /nfs/dbraw/zinc/81/39/96/636813996.db2.gz BLXXXUJESWKSOS-KRWDZBQOSA-N 0 3 300.402 2.099 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)CC1 ZINC001005734998 636832824 /nfs/dbraw/zinc/83/28/24/636832824.db2.gz HHZFSSBWBPZJEG-GUYCJALGSA-N 0 3 316.449 2.184 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ncccn3)CC[C@@H]2C1 ZINC000946828362 636845683 /nfs/dbraw/zinc/84/56/83/636845683.db2.gz BIHWYXLQAVFHGQ-OKILXGFUSA-N 0 3 320.824 2.013 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001028937821 636874430 /nfs/dbraw/zinc/87/44/30/636874430.db2.gz SECYWHGBNIIDNJ-OAHLLOKOSA-N 0 3 323.396 2.417 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(OC)cc2)C[C@H]1C ZINC000947966561 636886396 /nfs/dbraw/zinc/88/63/96/636886396.db2.gz CRKUFSFQMLPXEE-WBVHZDCISA-N 0 3 314.429 2.230 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001029003282 636945675 /nfs/dbraw/zinc/94/56/75/636945675.db2.gz KHRNPPCLVQMMBN-GJZGRUSLSA-N 0 3 313.873 2.051 20 30 DEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccccc2c1C#N ZINC000923316777 637107064 /nfs/dbraw/zinc/10/70/64/637107064.db2.gz WOHHRBBAVKWXMA-QWHCGFSZSA-N 0 3 308.385 2.348 20 30 DEEDHN C#C[C@@H](NC1CCN(C=O)CC1)c1ccc(Br)cc1 ZINC000894669487 637154685 /nfs/dbraw/zinc/15/46/85/637154685.db2.gz TZIWXGXSJJXSEJ-OAHLLOKOSA-N 0 3 321.218 2.334 20 30 DEEDHN C=CCONC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000838706220 637635078 /nfs/dbraw/zinc/63/50/78/637635078.db2.gz MTGIAOAQDBCFCM-OAHLLOKOSA-N 0 3 303.406 2.410 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838785985 637659064 /nfs/dbraw/zinc/65/90/64/637659064.db2.gz AUBGWCSBRANYCN-REWJHTLYSA-N 0 3 304.390 2.007 20 30 DEEDHN C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895157924 637686544 /nfs/dbraw/zinc/68/65/44/637686544.db2.gz GDBCRBRRGWECJV-TVQRCGJNSA-N 0 3 300.761 2.380 20 30 DEEDHN CC1(C)[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C[C@H]1Oc1ccccc1 ZINC000895196433 637780472 /nfs/dbraw/zinc/78/04/72/637780472.db2.gz KVROOFLICCNMKX-RBSFLKMASA-N 0 3 304.390 2.202 20 30 DEEDHN COc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1 ZINC000103330193 637817973 /nfs/dbraw/zinc/81/79/73/637817973.db2.gz XBYVIYKRTSETQN-RISCZKNCSA-N 0 3 300.358 2.176 20 30 DEEDHN N#CC(C(=O)C[C@H]1CCOC1)C(=O)Nc1ccc(Cl)cc1 ZINC000740529839 637867317 /nfs/dbraw/zinc/86/73/17/637867317.db2.gz XCKXCWVUXGIPHE-ZWNOBZJWSA-N 0 3 306.749 2.414 20 30 DEEDHN C[C@H](CCC#N)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000839498051 637896343 /nfs/dbraw/zinc/89/63/43/637896343.db2.gz PSWZHBHLSZJYSP-OAHLLOKOSA-N 0 3 324.469 2.163 20 30 DEEDHN C#CCOc1cc(F)ccc1NC(=S)NC1CCN(C)CC1 ZINC000741502072 637989865 /nfs/dbraw/zinc/98/98/65/637989865.db2.gz JTPSCAFSBDWZCM-UHFFFAOYSA-N 0 3 321.421 2.218 20 30 DEEDHN C#CCC1(O)CCN(Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000895670702 638142995 /nfs/dbraw/zinc/14/29/95/638142995.db2.gz OXDSUPXMUKVVJR-MRXNPFEDSA-N 0 3 317.429 2.451 20 30 DEEDHN C#C[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccc(F)cc1 ZINC000895682567 638149321 /nfs/dbraw/zinc/14/93/21/638149321.db2.gz KMPYUZHXWANZSB-HZPDHXFCSA-N 0 3 303.381 2.236 20 30 DEEDHN C=CCCCN(CC)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000895849956 638233652 /nfs/dbraw/zinc/23/36/52/638233652.db2.gz CEXKXHTZTDERLL-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC(C)C)c1 ZINC001029466829 638363604 /nfs/dbraw/zinc/36/36/04/638363604.db2.gz MHJSDCSOMMMQKL-HDICACEKSA-N 0 3 311.429 2.398 20 30 DEEDHN COC(=O)C[C@@H]1CN(Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000896468945 638530124 /nfs/dbraw/zinc/53/01/24/638530124.db2.gz UDXFEEVRYPLJQN-IUODEOHRSA-N 0 3 302.374 2.198 20 30 DEEDHN C#Cc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1 ZINC000896828630 638702985 /nfs/dbraw/zinc/70/29/85/638702985.db2.gz ZYNGVVBFYWLWEH-UHFFFAOYSA-N 0 3 314.429 2.287 20 30 DEEDHN CS/C=C\C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000751574531 639095503 /nfs/dbraw/zinc/09/55/03/639095503.db2.gz WFKJGQUDNAGKCL-YFHOEESVSA-N 0 3 303.431 2.325 20 30 DEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000897059466 639148650 /nfs/dbraw/zinc/14/86/50/639148650.db2.gz PLIWAEDSLLNKDP-UHFFFAOYSA-N 0 3 307.397 2.267 20 30 DEEDHN C#CCOc1ccccc1CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897265084 639300148 /nfs/dbraw/zinc/30/01/48/639300148.db2.gz VNNCLHWDNYGYFY-KRWDZBQOSA-N 0 3 315.413 2.205 20 30 DEEDHN c1ccc2c(c1)CSCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753938546 639363107 /nfs/dbraw/zinc/36/31/07/639363107.db2.gz JRORBVNCKNXJCI-ZIAGYGMSSA-N 0 3 300.431 2.498 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001029676533 639412960 /nfs/dbraw/zinc/41/29/60/639412960.db2.gz CIFXBELITPRGDG-KBPBESRZSA-N 0 3 303.381 2.266 20 30 DEEDHN C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CCC1 ZINC000985846444 639662655 /nfs/dbraw/zinc/66/26/55/639662655.db2.gz YVYXDRWCBPYNFM-IAQYHMDHSA-N 0 3 303.431 2.499 20 30 DEEDHN C[C@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CCC1 ZINC000985846448 639662906 /nfs/dbraw/zinc/66/29/06/639662906.db2.gz YVYXDRWCBPYNFM-XHDPSFHLSA-N 0 3 303.431 2.499 20 30 DEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)c(F)c2)CCN1C(=O)C1CC1 ZINC000985855245 639666243 /nfs/dbraw/zinc/66/62/43/639666243.db2.gz FIXYDBDMNQXKFX-BZNIZROVSA-N 0 3 301.365 2.186 20 30 DEEDHN C#C[C@@H](NCCC(=O)Nc1cccc(F)c1C)[C@H]1CCCO1 ZINC000839563953 639755695 /nfs/dbraw/zinc/75/56/95/639755695.db2.gz NIENJHDLKSPCFC-GDBMZVCRSA-N 0 3 304.365 2.233 20 30 DEEDHN C#C[C@H](NCCC(=O)NCc1ccccc1Cl)[C@@H]1CCCO1 ZINC000839563068 639764424 /nfs/dbraw/zinc/76/44/24/639764424.db2.gz FZWWCIIXCNWYGN-HOTGVXAUSA-N 0 3 320.820 2.117 20 30 DEEDHN N#CCOc1ccc(Cl)cc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000839646384 639791147 /nfs/dbraw/zinc/79/11/47/639791147.db2.gz INSYRWPBEUQOOH-DOMZBBRYSA-N 0 3 324.808 2.119 20 30 DEEDHN N#Cc1ccc(F)c(CNC(=O)[C@H](C2CC2)N2CCCC2)c1 ZINC000127421586 639809857 /nfs/dbraw/zinc/80/98/57/639809857.db2.gz YINHUAGJQXZKFV-INIZCTEOSA-N 0 3 301.365 2.188 20 30 DEEDHN C#CCNC(=S)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000758194250 639925765 /nfs/dbraw/zinc/92/57/65/639925765.db2.gz XALHRGIYGPYRTJ-MRXNPFEDSA-N 0 3 319.474 2.175 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)Cn2ccnc2C(C)C)[C@H]1C ZINC000987103057 640087453 /nfs/dbraw/zinc/08/74/53/640087453.db2.gz NTTIAIUSYMNXFX-UONOGXRCSA-N 0 3 324.856 2.338 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841792881 650565262 /nfs/dbraw/zinc/56/52/62/650565262.db2.gz DRSBOKGZYKLSCP-UHFFFAOYSA-N 0 3 316.449 2.151 20 30 DEEDHN CCC(=O)N1C[C@H](NCc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000987657291 640248022 /nfs/dbraw/zinc/24/80/22/640248022.db2.gz PISRXTFVAQKPMU-SWLSCSKDSA-N 0 3 301.390 2.056 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988500089 640507318 /nfs/dbraw/zinc/50/73/18/640507318.db2.gz JPXJGDBGBUTYJA-RISCZKNCSA-N 0 3 314.414 2.341 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763926032 640586049 /nfs/dbraw/zinc/58/60/49/640586049.db2.gz VJYMAFRMHNNRSH-DGCLKSJQSA-N 0 3 319.368 2.278 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)c1cc[nH]c1 ZINC000988850943 640678185 /nfs/dbraw/zinc/67/81/85/640678185.db2.gz AWOCAILIVHUTDM-AAEUAGOBSA-N 0 3 314.414 2.341 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@]23CCOC3)cc1 ZINC000764761085 640690245 /nfs/dbraw/zinc/69/02/45/640690245.db2.gz NUZULALCCUFDPC-IIDMSEBBSA-N 0 3 312.369 2.323 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c(C)cccc2Cl)C1 ZINC000989092319 640721055 /nfs/dbraw/zinc/72/10/55/640721055.db2.gz DUNGAGWEOCXBPE-KGLIPLIRSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3ccc(OC)cc32)C1 ZINC000989156982 640738919 /nfs/dbraw/zinc/73/89/19/640738919.db2.gz BGBAQDXMDBQJRC-CHWSQXEVSA-N 0 3 312.369 2.267 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc3c(F)cccc3c2)C1 ZINC000989195778 640750711 /nfs/dbraw/zinc/75/07/11/640750711.db2.gz RZGSPLLTQLXUHO-DOMZBBRYSA-N 0 3 311.360 2.200 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C(CC)CC)no2)C1 ZINC000989534026 641139264 /nfs/dbraw/zinc/13/92/64/641139264.db2.gz QLUIDRRNEOGGRD-TZMCWYRMSA-N 0 3 303.406 2.404 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CCCN(CCCF)CC1 ZINC000989564511 641146605 /nfs/dbraw/zinc/14/66/05/641146605.db2.gz BPFJHQSTDNEGBG-UHFFFAOYSA-N 0 3 302.393 2.104 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000989562009 641150108 /nfs/dbraw/zinc/15/01/08/641150108.db2.gz MCDKDSBTXDLKRI-AAEUAGOBSA-N 0 3 315.398 2.229 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000989647613 641181425 /nfs/dbraw/zinc/18/14/25/641181425.db2.gz XSUQETNASIQVSU-LRDDRELGSA-N 0 3 311.360 2.200 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@H](C)n2nc(C)cc2C)CC1 ZINC000989671244 641190061 /nfs/dbraw/zinc/19/00/61/641190061.db2.gz ZMIYUUPDUUTCLG-KRWDZBQOSA-N 0 3 316.449 2.009 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H]2Cc3cccc(F)c3O2)CC1 ZINC000989703528 641201119 /nfs/dbraw/zinc/20/11/19/641201119.db2.gz CZVVZXXVWHEUJY-MRXNPFEDSA-N 0 3 318.392 2.240 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000989704117 641202289 /nfs/dbraw/zinc/20/22/89/641202289.db2.gz PYLXHTNXFBXVDV-VXGBXAGGSA-N 0 3 315.398 2.229 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000989752370 641222509 /nfs/dbraw/zinc/22/25/09/641222509.db2.gz LVJAXLWCPQRKCC-ZBFHGGJFSA-N 0 3 309.413 2.313 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2sc(C(C)C)nc2C)C1 ZINC000989790647 641232968 /nfs/dbraw/zinc/23/29/68/641232968.db2.gz ZBEGTNVSLZHKPW-DGCLKSJQSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC000989794117 641233740 /nfs/dbraw/zinc/23/37/40/641233740.db2.gz RVUMHCJAWKIGJZ-STQMWFEESA-N 0 3 311.385 2.002 20 30 DEEDHN C=CCCN1CC[C@]2(NC(=O)c3snnc3C)CCC[C@H]12 ZINC000989944449 641300974 /nfs/dbraw/zinc/30/09/74/641300974.db2.gz CCKVQTQZBZUQRB-SWLSCSKDSA-N 0 3 306.435 2.149 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3oc(C)nc3C)CCC[C@@H]12 ZINC000990110234 641359444 /nfs/dbraw/zinc/35/94/44/641359444.db2.gz USLVFOSYUJAJAE-PBHICJAKSA-N 0 3 301.390 2.042 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCc3ncc(Br)n3C2)o1 ZINC000898723019 641764723 /nfs/dbraw/zinc/76/47/23/641764723.db2.gz AXCYBRDZFHZXBV-SECBINFHSA-N 0 3 321.178 2.215 20 30 DEEDHN CCCN1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000842294770 650697964 /nfs/dbraw/zinc/69/79/64/650697964.db2.gz WNVAPMJYWGYOLO-VXGBXAGGSA-N 0 3 311.341 2.263 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCc2ccccc2O1 ZINC000842284349 650692746 /nfs/dbraw/zinc/69/27/46/650692746.db2.gz IMHYVEAVIUBELW-GOEBONIOSA-N 0 3 314.385 2.395 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCSc2ccccc21 ZINC000842288636 650694772 /nfs/dbraw/zinc/69/47/72/650694772.db2.gz KMPJPKYIUVESSD-STQMWFEESA-N 0 3 302.399 2.499 20 30 DEEDHN CCOc1ccc(C[C@@H](C)C(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000842289345 650695840 /nfs/dbraw/zinc/69/58/40/650695840.db2.gz PBJWLRDZLPUAIN-WBMJQRKESA-N 0 3 314.385 2.251 20 30 DEEDHN CCOc1ccc(C[C@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000842289919 650695902 /nfs/dbraw/zinc/69/59/02/650695902.db2.gz UAEUZIGJBVBMIZ-BBRMVZONSA-N 0 3 316.401 2.497 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccncc3)CCC[C@@H]12 ZINC000990766509 641971590 /nfs/dbraw/zinc/97/15/90/641971590.db2.gz VVJDAOWZWWNAKG-FAJBIJEISA-N 0 3 311.429 2.484 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/CC[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000899226023 642002600 /nfs/dbraw/zinc/00/26/00/642002600.db2.gz IZZSXDLVAWEVGQ-HTMJNSLASA-N 0 3 303.406 2.184 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775573664 642061393 /nfs/dbraw/zinc/06/13/93/642061393.db2.gz IOKASFSTTVUJKZ-VBNZEHGJSA-N 0 3 304.365 2.313 20 30 DEEDHN Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000900530990 642401834 /nfs/dbraw/zinc/40/18/34/642401834.db2.gz UYWWVFPYAMIOTC-SIFUEBAJSA-N 0 3 300.402 2.287 20 30 DEEDHN C#CCN1CCC[C@@H]1COC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000778633353 642414015 /nfs/dbraw/zinc/41/40/15/642414015.db2.gz BTYNWALCZXUMKJ-SJORKVTESA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCc1cc(CNC2(C(=O)NC)CCCC2)cc(OC)c1O ZINC000779174790 642468545 /nfs/dbraw/zinc/46/85/45/642468545.db2.gz BMCHJZSPKKKALP-UHFFFAOYSA-N 0 3 318.417 2.278 20 30 DEEDHN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000901642211 642737453 /nfs/dbraw/zinc/73/74/53/642737453.db2.gz JENKXUMZJCXLCS-MRXNPFEDSA-N 0 3 315.417 2.127 20 30 DEEDHN N#Cc1ccc([C@H](NCC[C@H]2CCC(F)(F)C2)C(N)=O)cc1 ZINC000901673524 642739962 /nfs/dbraw/zinc/73/99/62/642739962.db2.gz OKDDGKBRQQNHED-RISCZKNCSA-N 0 3 307.344 2.500 20 30 DEEDHN C#CCN(CC#C)CCCCCCN1C(=O)c2ccccc2C1=O ZINC000782939004 642942736 /nfs/dbraw/zinc/94/27/36/642942736.db2.gz BNGPBFGGDPRLGH-UHFFFAOYSA-N 0 3 322.408 2.411 20 30 DEEDHN COC/C(C)=C\CON=Cc1ccc(N2CCOCC2)cc1 ZINC000902689524 643113608 /nfs/dbraw/zinc/11/36/08/643113608.db2.gz IZQDBMWQEIHXNA-LEJMHDCWSA-N 0 3 304.390 2.466 20 30 DEEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000903400885 643344838 /nfs/dbraw/zinc/34/48/38/643344838.db2.gz YHHHLCJPUSDGIP-QLFBSQMISA-N 0 3 302.422 2.485 20 30 DEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC[C@@H]2CCCO2)c1 ZINC000786549748 643383428 /nfs/dbraw/zinc/38/34/28/643383428.db2.gz KYPQTSJCBHIRHN-JKSUJKDBSA-N 0 3 314.385 2.279 20 30 DEEDHN CO[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786564823 643386090 /nfs/dbraw/zinc/38/60/90/643386090.db2.gz UBLYYIPVKCVNSJ-GWCFXTLKSA-N 0 3 324.327 2.105 20 30 DEEDHN CC[C@@H](C#N)N(CC)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000903671255 643424638 /nfs/dbraw/zinc/42/46/38/643424638.db2.gz GYPRXHRYPIBVPJ-AWEZNQCLSA-N 0 3 309.435 2.061 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)COC(C)C)c1ccccc1 ZINC000787046973 643444415 /nfs/dbraw/zinc/44/44/15/643444415.db2.gz URCNXHNEFSIVGG-CABCVRRESA-N 0 3 302.374 2.388 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(C3OCCO3)c2)CC1 ZINC000788208158 643577839 /nfs/dbraw/zinc/57/78/39/643577839.db2.gz KNYKWQOTPSTGDP-UHFFFAOYSA-N 0 3 314.385 2.016 20 30 DEEDHN C#CCC1(C(=O)N[C@H](C)CCN2CCN(C)CC2)CCCCC1 ZINC000788248431 643583402 /nfs/dbraw/zinc/58/34/02/643583402.db2.gz LADPGQIUFOUXLH-QGZVFWFLSA-N 0 3 319.493 2.102 20 30 DEEDHN C#CCC1(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)CCCCC1 ZINC000788520110 643619071 /nfs/dbraw/zinc/61/90/71/643619071.db2.gz GHIBSNRUSFRSME-HUUCEWRRSA-N 0 3 308.491 2.464 20 30 DEEDHN Cc1ccc(-c2nn(C)cc2/C=C2\C(=O)c3ncnn3C2C)o1 ZINC000905086696 643780644 /nfs/dbraw/zinc/78/06/44/643780644.db2.gz SSWFDCBBXNYULF-OGGBREFQSA-N 0 3 309.329 2.421 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3cccnc32)cc1 ZINC000905602095 643960432 /nfs/dbraw/zinc/96/04/32/643960432.db2.gz NBTOFBSHQPBSQV-FUHWJXTLSA-N 0 3 323.396 2.360 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC2(OC)CCC2)cc1 ZINC000791774478 644027925 /nfs/dbraw/zinc/02/79/25/644027925.db2.gz XDRDYTIIDSKKTG-CQSZACIVSA-N 0 3 316.357 2.302 20 30 DEEDHN C[C@H](COCC1CCCCC1)N[C@H](C)C(=O)N(C)CCC#N ZINC000905858483 644061458 /nfs/dbraw/zinc/06/14/58/644061458.db2.gz KZDVJOXGTGAPMH-HUUCEWRRSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@H](N[C@H]1COC[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000905867006 644064838 /nfs/dbraw/zinc/06/48/38/644064838.db2.gz LYYYIICIHVSIMF-BFVZDQMLSA-N 0 3 307.781 2.163 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000792186482 644086590 /nfs/dbraw/zinc/08/65/90/644086590.db2.gz ODGRBQGPFPGZFJ-ZBFHGGJFSA-N 0 3 313.401 2.174 20 30 DEEDHN COc1ncc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1C#N ZINC000906145940 644154184 /nfs/dbraw/zinc/15/41/84/644154184.db2.gz XKFWJFXHOPIOQN-INIZCTEOSA-N 0 3 320.368 2.113 20 30 DEEDHN COCCN(C)N=Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000794973174 644501782 /nfs/dbraw/zinc/50/17/82/644501782.db2.gz CMMVPNQNTITYGZ-UHFFFAOYSA-N 0 3 324.856 2.004 20 30 DEEDHN C#C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)[C@@H]1CCCO1 ZINC000907488579 644563228 /nfs/dbraw/zinc/56/32/28/644563228.db2.gz QVYJJFOURGWSQF-HOTGVXAUSA-N 0 3 311.385 2.201 20 30 DEEDHN C#CC[C@@H]1CCCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000843269771 650939607 /nfs/dbraw/zinc/93/96/07/650939607.db2.gz QYBVWIPULUEEPD-NVXWUHKLSA-N 0 3 310.397 2.049 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cnccn1 ZINC000796620964 644765786 /nfs/dbraw/zinc/76/57/86/644765786.db2.gz XVGIQCZVDVPFHB-CYBMUJFWSA-N 0 3 305.341 2.172 20 30 DEEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000796635098 644768066 /nfs/dbraw/zinc/76/80/66/644768066.db2.gz OQNOKTLUMSEKJN-SNVBAGLBSA-N 0 3 324.283 2.150 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000796745204 644785536 /nfs/dbraw/zinc/78/55/36/644785536.db2.gz LJNPCSFVHOZKRU-JVLSTEMRSA-N 0 3 320.414 2.231 20 30 DEEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(C#N)CCCOC2)c1 ZINC000867020978 644896001 /nfs/dbraw/zinc/89/60/01/644896001.db2.gz SMWGOWRAGSQKKE-QGZVFWFLSA-N 0 3 301.390 2.316 20 30 DEEDHN CCN(CCc1ccccn1)Cc1cnc2c(C#N)cnn2c1 ZINC000843392733 650965105 /nfs/dbraw/zinc/96/51/05/650965105.db2.gz KHYZDUSKYYVEMB-UHFFFAOYSA-N 0 3 306.373 2.061 20 30 DEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C=NOC)cc1 ZINC000798265708 644993511 /nfs/dbraw/zinc/99/35/11/644993511.db2.gz IMRVFLFNHBQNAX-INIZCTEOSA-N 0 3 303.406 2.223 20 30 DEEDHN C=CCC1(CNC(=O)c2ccnn2CCN(C)C)CCCC1 ZINC000909248912 645145956 /nfs/dbraw/zinc/14/59/56/645145956.db2.gz MFQNQEQEGROBOR-UHFFFAOYSA-N 0 3 304.438 2.311 20 30 DEEDHN CCN1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@@H](C)C1 ZINC000910269459 645378926 /nfs/dbraw/zinc/37/89/26/645378926.db2.gz GFZBQRCASGYORC-NSHDSACASA-N 0 3 307.344 2.393 20 30 DEEDHN CCN1CCCN(C(=O)c2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000910279949 645385448 /nfs/dbraw/zinc/38/54/48/645385448.db2.gz GYBHNVWQAUWQMO-NSHDSACASA-N 0 3 306.797 2.163 20 30 DEEDHN C[C@@H](C#N)OCCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000801921533 645463187 /nfs/dbraw/zinc/46/31/87/645463187.db2.gz GAJNPJHBBWCXOZ-FZMZJTMJSA-N 0 3 316.323 2.431 20 30 DEEDHN CN1CCN(CCCCNc2nc(Cl)c(C#N)s2)CC1 ZINC000804347825 645759009 /nfs/dbraw/zinc/75/90/09/645759009.db2.gz AWLPZDDRRBAWDF-UHFFFAOYSA-N 0 3 313.858 2.108 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000911642833 645760359 /nfs/dbraw/zinc/76/03/59/645760359.db2.gz ODWOKMARJJFHII-HOTGVXAUSA-N 0 3 306.381 2.409 20 30 DEEDHN CC(=NN[C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000808002200 646018407 /nfs/dbraw/zinc/01/84/07/646018407.db2.gz WKQWYKMTQJYSBQ-OAHLLOKOSA-N 0 3 305.447 2.342 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)c(OCCOC)c1 ZINC000912419673 646068486 /nfs/dbraw/zinc/06/84/86/646068486.db2.gz UAZSASJAXABZGP-AWEZNQCLSA-N 0 3 322.405 2.343 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000912467561 646073092 /nfs/dbraw/zinc/07/30/92/646073092.db2.gz PVKZMLYEYLEXSN-KFWWJZLASA-N 0 3 311.470 2.177 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(-n3cncn3)nc1)CC2 ZINC000810209007 646339930 /nfs/dbraw/zinc/33/99/30/646339930.db2.gz JNORCNQOILTCFP-QGZVFWFLSA-N 0 3 316.368 2.311 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C[C@@H]1C ZINC000947857938 646453885 /nfs/dbraw/zinc/45/38/85/646453885.db2.gz USGJPWPJIVDHTK-WFASDCNBSA-N 0 3 310.401 2.087 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(F)cccc2OC)C[C@@H]1C ZINC000947324469 646473707 /nfs/dbraw/zinc/47/37/07/646473707.db2.gz SSHISLLEXRPFAA-UONOGXRCSA-N 0 3 318.392 2.440 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1C ZINC000947324730 646479168 /nfs/dbraw/zinc/47/91/68/646479168.db2.gz UUKCIMHTOZWSCI-KGLIPLIRSA-N 0 3 316.449 2.313 20 30 DEEDHN CCN(CCO)c1ccc(C=NNC[C@@H]2CCSC2)c(C)c1 ZINC000811661589 646556834 /nfs/dbraw/zinc/55/68/34/646556834.db2.gz ODVGIVHSEAMJHE-HNNXBMFYSA-N 0 3 321.490 2.490 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000948766821 646616813 /nfs/dbraw/zinc/61/68/13/646616813.db2.gz OLKHLYVSQWVVJV-OAHLLOKOSA-N 0 3 315.417 2.045 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccn(C(C)C)n2)CC1 ZINC000948829256 646695622 /nfs/dbraw/zinc/69/56/22/646695622.db2.gz HXFDBKDIFDHIRJ-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN COC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000813059914 646722469 /nfs/dbraw/zinc/72/24/69/646722469.db2.gz LEICNOBOWDSRNS-HUBLWGQQSA-N 0 3 318.373 2.261 20 30 DEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ncccn1 ZINC000813058251 646722662 /nfs/dbraw/zinc/72/26/62/646722662.db2.gz VPVMITZXXBRQKI-GFCCVEGCSA-N 0 3 305.341 2.172 20 30 DEEDHN N#CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000813089020 646726855 /nfs/dbraw/zinc/72/68/55/646726855.db2.gz JHMMSOBDJFCWAL-CYBMUJFWSA-N 0 3 303.749 2.359 20 30 DEEDHN CC(C)C[C@H](C#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000813433687 646770278 /nfs/dbraw/zinc/77/02/78/646770278.db2.gz UFPBLBXDTYPYJC-RBSFLKMASA-N 0 3 300.358 2.345 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C[C@H](C)OC)C1 ZINC001014982799 646825885 /nfs/dbraw/zinc/82/58/85/646825885.db2.gz YHPPGTXGBHIEIV-LSDHHAIUSA-N 0 3 318.417 2.090 20 30 DEEDHN N#CC1(CCCCN2CCN([C@@H]3CCC[C@@H]3O)CC2)CCC1 ZINC000929511856 646845973 /nfs/dbraw/zinc/84/59/73/646845973.db2.gz VOFAYRGJDCCJBA-SJORKVTESA-N 0 3 305.466 2.382 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(OC)ccn3)CCC[C@H]12 ZINC000992098329 646851469 /nfs/dbraw/zinc/85/14/69/646851469.db2.gz HGOOKSNOJQFLPC-FUHWJXTLSA-N 0 3 315.417 2.393 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3Cc4ccc(F)cc43)CCC[C@@H]12 ZINC000992125223 646863363 /nfs/dbraw/zinc/86/33/63/646863363.db2.gz PELGUTRACOKQCV-ZHALLVOQSA-N 0 3 312.388 2.212 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)CC3CC(OCC)C3)CCC[C@@H]12 ZINC000992146992 646872502 /nfs/dbraw/zinc/87/25/02/646872502.db2.gz IHZSYEIBHWYQOC-HTPOPCQBSA-N 0 3 318.461 2.328 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3cnccc32)C[C@H]1C ZINC000948053469 646887157 /nfs/dbraw/zinc/88/71/57/646887157.db2.gz QVVGNMTZPOABRV-ZBFHGGJFSA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3cccc(F)c3F)CCC[C@@H]12 ZINC000992285769 646929189 /nfs/dbraw/zinc/92/91/89/646929189.db2.gz GRHXKSUHAYQFND-QAPCUYQASA-N 0 3 318.367 2.254 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn4ccccc34)CCC[C@@H]12 ZINC000992325981 646947852 /nfs/dbraw/zinc/94/78/52/646947852.db2.gz FVKNUJAYDWPYSE-AEFFLSMTSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(CC(C)C)c3)CCC[C@@H]12 ZINC000992363430 646958805 /nfs/dbraw/zinc/95/88/05/646958805.db2.gz LFGHMBWVTJPCLI-AEFFLSMTSA-N 0 3 316.449 2.452 20 30 DEEDHN COC(=O)N(C)CC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420802 647193573 /nfs/dbraw/zinc/19/35/73/647193573.db2.gz GRLREJMQBGYNCA-VIFPVBQESA-N 0 3 321.333 2.310 20 30 DEEDHN C#CCN(C(=O)NCC1(N2CCSCC2)CCCC1)C(C)C ZINC000914191827 647212120 /nfs/dbraw/zinc/21/21/20/647212120.db2.gz HCYDVNUKESQKKM-UHFFFAOYSA-N 0 3 323.506 2.401 20 30 DEEDHN CCN1CCC[C@H](NC(=O)NCc2ccc(C)c(C#N)c2)C1 ZINC000914316193 647261596 /nfs/dbraw/zinc/26/15/96/647261596.db2.gz LRTFZSYQYWAGPB-INIZCTEOSA-N 0 3 300.406 2.150 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993346720 647622981 /nfs/dbraw/zinc/62/29/81/647622981.db2.gz HFJRYLQRQVXDTG-DOTOQJQBSA-N 0 3 324.428 2.249 20 30 DEEDHN COC(=O)c1ccc(CNC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000819373757 647646031 /nfs/dbraw/zinc/64/60/31/647646031.db2.gz KIYDAEJAYUVAKR-AWEZNQCLSA-N 0 3 316.382 2.230 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@H]1C ZINC000993509775 647682961 /nfs/dbraw/zinc/68/29/61/647682961.db2.gz ATWNVHGQFFQBJX-NVXWUHKLSA-N 0 3 313.445 2.352 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2nc(C)sc2C)[C@H]1C ZINC000993491236 647686752 /nfs/dbraw/zinc/68/67/52/647686752.db2.gz WDABRIVUIQEWSQ-RISCZKNCSA-N 0 3 307.463 2.458 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cn2nc(C)cc2C)[C@@H]1C ZINC000993581484 647696642 /nfs/dbraw/zinc/69/66/42/647696642.db2.gz CRSYTHYDHZIUSR-HOTGVXAUSA-N 0 3 304.438 2.045 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)on2)[C@H]1C ZINC000993651347 647717161 /nfs/dbraw/zinc/71/71/61/647717161.db2.gz AACCFKRJMDTNKF-KGLIPLIRSA-N 0 3 303.406 2.404 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)nc(C)n2)[C@@H]1C ZINC000993974280 647772783 /nfs/dbraw/zinc/77/27/83/647772783.db2.gz PDBRPPCEYSGYTI-ZFWWWQNUSA-N 0 3 302.422 2.252 20 30 DEEDHN C#C[C@H](NC(=O)N1CCCN(C)CC1)c1ccc(Cl)cc1 ZINC000820583541 647874194 /nfs/dbraw/zinc/87/41/94/647874194.db2.gz ITBLWKBHUCANAN-HNNXBMFYSA-N 0 3 305.809 2.361 20 30 DEEDHN C#CCSCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000154135111 647902480 /nfs/dbraw/zinc/90/24/80/647902480.db2.gz JJCJQOOTZYVJHE-MRXNPFEDSA-N 0 3 319.474 2.263 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC000994329854 647911776 /nfs/dbraw/zinc/91/17/76/647911776.db2.gz QAAXAMDTLMFNQT-RHSMWYFYSA-N 0 3 302.393 2.361 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccnc2OCC)[C@H]1C ZINC000994334627 647913562 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CC#CCN1CC[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)C(C)(C)C1 ZINC000941017900 648986392 /nfs/dbraw/zinc/98/63/92/648986392.db2.gz SBNHFLKGJXARDE-CYBMUJFWSA-N 0 3 324.375 2.201 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C(C)(C)C1 ZINC000941090835 648999915 /nfs/dbraw/zinc/99/99/15/648999915.db2.gz KLKLSPSDFHHNJL-JYJNAYRXSA-N 0 3 306.450 2.370 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OC)C(C)(C)C1 ZINC000941181466 649013817 /nfs/dbraw/zinc/01/38/17/649013817.db2.gz UYNYNIIFOOISFH-CQSZACIVSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c3ccccc3nn2C)C[C@@H]1C ZINC000947895325 649053880 /nfs/dbraw/zinc/05/38/80/649053880.db2.gz KQECECPDKOZIOK-UONOGXRCSA-N 0 3 312.417 2.342 20 30 DEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)C(F)F ZINC000941706113 649076935 /nfs/dbraw/zinc/07/69/35/649076935.db2.gz WLFOFFKBPKDGRM-SMDDNHRTSA-N 0 3 307.344 2.150 20 30 DEEDHN C#CCCN(CCOC)Cc1ccc2c(c1)sc(=O)n2C ZINC000827823372 649091115 /nfs/dbraw/zinc/09/11/15/649091115.db2.gz NDFQPGHRNIQKFA-UHFFFAOYSA-N 0 3 304.415 2.072 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000942098864 649156919 /nfs/dbraw/zinc/15/69/19/649156919.db2.gz BMWNIVHZMAJRSD-YOEHRIQHSA-N 0 3 314.404 2.317 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2sc3nccn3c2C)[C@H](C)C1 ZINC000942139517 649164258 /nfs/dbraw/zinc/16/42/58/649164258.db2.gz ANFDBWXZHNREPF-YPMHNXCESA-N 0 3 318.446 2.330 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnc(CCC)c2)[C@@H](C)C1 ZINC000942146794 649167893 /nfs/dbraw/zinc/16/78/93/649167893.db2.gz AMOVRBFONCLJLG-MAUKXSAKSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@H](C)C1 ZINC000942301284 649200566 /nfs/dbraw/zinc/20/05/66/649200566.db2.gz DOBCDXHFICISLF-RHSMWYFYSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cn(C)c3ccccc23)[C@H](C)C1 ZINC000942313411 649202401 /nfs/dbraw/zinc/20/24/01/649202401.db2.gz JCPMUAJMUKVFMH-PBHICJAKSA-N 0 3 309.413 2.252 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cn2c(C)cc3ccccc32)[C@@H](C)C1 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DEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@H](C)C1 ZINC000942583764 649254548 /nfs/dbraw/zinc/25/45/48/649254548.db2.gz MDSRAMNMKQHEMI-ZBFHGGJFSA-N 0 3 309.413 2.252 20 30 DEEDHN C#CCN1CC[C@H](CN(Cc2cccnc2)C(=O)c2ccoc2)C1 ZINC000995260479 649266377 /nfs/dbraw/zinc/26/63/77/649266377.db2.gz RHGNNWPVFFGRPF-KRWDZBQOSA-N 0 3 323.396 2.272 20 30 DEEDHN C[C@H](C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1CCCCCC1 ZINC000829504156 649317041 /nfs/dbraw/zinc/31/70/41/649317041.db2.gz ILWMTNUNQACRJP-RDTXWAMCSA-N 0 3 311.429 2.406 20 30 DEEDHN CC1(C)CN(C(=O)C2CC2)C[C@@H]1NCc1ccc(C#N)s1 ZINC000995318959 649334484 /nfs/dbraw/zinc/33/44/84/649334484.db2.gz MYBKUBPRCDZUPA-AWEZNQCLSA-N 0 3 303.431 2.356 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)no2)[C@@H](C)C1 ZINC000943307011 649363632 /nfs/dbraw/zinc/36/36/32/649363632.db2.gz VJCTWAYXAVKGAF-UONOGXRCSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H](C)C1 ZINC000943516034 649387645 /nfs/dbraw/zinc/38/76/45/649387645.db2.gz 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ZINC000944015829 649471630 /nfs/dbraw/zinc/47/16/30/649471630.db2.gz IZKOBWSYTSCOMX-DGCLKSJQSA-N 0 3 324.856 2.262 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)[C@@H](C)C1 ZINC000944014778 649471843 /nfs/dbraw/zinc/47/18/43/649471843.db2.gz FZIZPSXZAALDQE-XJKSGUPXSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000944349239 649518559 /nfs/dbraw/zinc/51/85/59/649518559.db2.gz ZPWBOPALXPBRRB-CRAIPNDOSA-N 0 3 313.445 2.216 20 30 DEEDHN CNC(=O)c1cccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844371586 651119353 /nfs/dbraw/zinc/11/93/53/651119353.db2.gz ZRYPVSOHDWXLEE-GOSISDBHSA-N 0 3 323.396 2.083 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc(N(C)C)c2)CC1 ZINC000844896262 651180280 /nfs/dbraw/zinc/18/02/80/651180280.db2.gz CMJJLJXKLMTQKO-UHFFFAOYSA-N 0 3 303.381 2.175 20 30 DEEDHN N#CC(C(=O)CC1(Cn2cnnn2)CCCCC1)c1ccccn1 ZINC000845442504 651243593 /nfs/dbraw/zinc/24/35/93/651243593.db2.gz YPHGNZODKVGBIW-AWEZNQCLSA-N 0 3 324.388 2.285 20 30 DEEDHN C=C(C)CONC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000845605128 651259466 /nfs/dbraw/zinc/25/94/66/651259466.db2.gz IWJYDZKEEARIKL-GOEBONIOSA-N 0 3 303.406 2.314 20 30 DEEDHN C=C[C@@H](C)ONC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000845627686 651263144 /nfs/dbraw/zinc/26/31/44/651263144.db2.gz IMLGPLZKBCFDQJ-ZBFHGGJFSA-N 0 3 303.406 2.408 20 30 DEEDHN C#C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000847265852 651385485 /nfs/dbraw/zinc/38/54/85/651385485.db2.gz CVPKDFPCTLAFSF-AEFFLSMTSA-N 0 3 311.429 2.316 20 30 DEEDHN Cc1ccc(OC[C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848397895 651456256 /nfs/dbraw/zinc/45/62/56/651456256.db2.gz OHZQVIBUUUWCDW-HOCLYGCPSA-N 0 3 303.406 2.290 20 30 DEEDHN COC(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000848427814 651458463 /nfs/dbraw/zinc/45/84/63/651458463.db2.gz WHTOZHANLRFIBH-GFCCVEGCSA-N 0 3 322.340 2.354 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000854515652 651492812 /nfs/dbraw/zinc/49/28/12/651492812.db2.gz 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C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000113654347 684062017 /nfs/dbraw/zinc/06/20/17/684062017.db2.gz GBLYCDDJZFRSMA-UMVBOHGHSA-N 0 3 315.373 2.324 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)c1 ZINC000119973215 684090041 /nfs/dbraw/zinc/09/00/41/684090041.db2.gz CHDJQWYEVJDILY-GJZGRUSLSA-N 0 3 316.357 2.302 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCCO2)cc1 ZINC000120104461 684091874 /nfs/dbraw/zinc/09/18/74/684091874.db2.gz XMHLOURPFQJJSL-LSDHHAIUSA-N 0 3 316.357 2.302 20 30 DEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(F)cc(F)c1 ZINC000126417324 684153756 /nfs/dbraw/zinc/15/37/56/684153756.db2.gz NHJMGXDXRAJZHB-LBPRGKRZSA-N 0 3 301.252 2.321 20 30 DEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000133520079 684220222 /nfs/dbraw/zinc/22/02/22/684220222.db2.gz ZAMBSBSZFSCEKL-VXNVDRBHSA-N 0 3 315.156 2.216 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1csnc1C)C2 ZINC001054116249 693851348 /nfs/dbraw/zinc/85/13/48/693851348.db2.gz OVELYYKPODNGBV-KRWDZBQOSA-N 0 3 317.458 2.403 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)C2 ZINC001054111678 693848730 /nfs/dbraw/zinc/84/87/30/693848730.db2.gz ADKXHEYYAIZSTF-VUHPKUFZSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)SC)C2 ZINC001054118552 693852018 /nfs/dbraw/zinc/85/20/18/693852018.db2.gz LEKJGKBOHYGCKZ-RDJZCZTQSA-N 0 3 308.491 2.466 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(F)cn1)C2 ZINC001054120751 693852892 /nfs/dbraw/zinc/85/28/92/693852892.db2.gz NYJCWEJSDDBLOE-SFHVURJKSA-N 0 3 315.392 2.172 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCOCC1)C2 ZINC001054124551 693854375 /nfs/dbraw/zinc/85/43/75/693854375.db2.gz UIPOFGPLJQJEDR-HKUYNNGSSA-N 0 3 318.461 2.141 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001054130536 693856829 /nfs/dbraw/zinc/85/68/29/693856829.db2.gz RYCGTYYDFKISEB-FQEVSTJZSA-N 0 3 323.440 2.310 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1csc(C)n1)C2 ZINC001054183364 693874004 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N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000246819562 685136859 /nfs/dbraw/zinc/13/68/59/685136859.db2.gz BXLORAKZCRRJMC-AXFHLTTASA-N 0 3 304.296 2.056 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054384267 693956468 /nfs/dbraw/zinc/95/64/68/693956468.db2.gz VUUSEIOWZNYAEY-ABAIWWIYSA-N 0 3 315.398 2.463 20 30 DEEDHN CCO[C@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000860472070 685930845 /nfs/dbraw/zinc/93/08/45/685930845.db2.gz AUQPGBAAADCGDA-ZBFHGGJFSA-N 0 3 316.357 2.158 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860478087 685931725 /nfs/dbraw/zinc/93/17/25/685931725.db2.gz PVEVBAKTXRNBTM-LTIDMASMSA-N 0 3 308.381 2.340 20 30 DEEDHN C#CC[C@@H]1CCN(Cc2cc3c(cc2OCCOC)OCO3)C1 ZINC000862443253 686303545 /nfs/dbraw/zinc/30/35/45/686303545.db2.gz MYQXKJUJZIACTP-CQSZACIVSA-N 0 3 317.385 2.286 20 30 DEEDHN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001054662406 694018401 /nfs/dbraw/zinc/01/84/01/694018401.db2.gz 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/nfs/dbraw/zinc/55/33/38/687553338.db2.gz JJPYRGYFYWXEIF-INIZCTEOSA-N 0 3 310.397 2.498 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001016239253 687566460 /nfs/dbraw/zinc/56/64/60/687566460.db2.gz JBSXRAZIMGMMGO-CYBMUJFWSA-N 0 3 311.385 2.004 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccc(OCC=C)cc2)C1 ZINC001016358194 687600675 /nfs/dbraw/zinc/60/06/75/687600675.db2.gz YQHWUZLHBHUSAZ-KRWDZBQOSA-N 0 3 312.413 2.008 20 30 DEEDHN N#Cc1cccc(CN2CCC3(C[C@@H]3NC(=O)C3CC3)CC2)c1 ZINC001016454230 687625747 /nfs/dbraw/zinc/62/57/47/687625747.db2.gz GNHIQWXTGRSFRQ-KRWDZBQOSA-N 0 3 309.413 2.439 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2scnc2C)CC1 ZINC001016523897 687644430 /nfs/dbraw/zinc/64/44/30/687644430.db2.gz ZSMXAJKTRDTGIT-CYBMUJFWSA-N 0 3 303.431 2.059 20 30 DEEDHN CC[C@@H](F)CN1CCC2(C[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016575970 687656432 /nfs/dbraw/zinc/65/64/32/687656432.db2.gz KTLBCRCTRUUHLU-IUODEOHRSA-N 0 3 318.396 2.219 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(COC)cs2)CC1 ZINC001016713363 687688878 /nfs/dbraw/zinc/68/88/78/687688878.db2.gz VUUWARCRAHOKBN-OAHLLOKOSA-N 0 3 318.442 2.112 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(F)c2F)CC1 ZINC001016797919 687705716 /nfs/dbraw/zinc/70/57/16/687705716.db2.gz HFCQITPCNISNLO-CQSZACIVSA-N 0 3 304.340 2.182 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc3[nH]ccc32)CC1 ZINC001016844787 687715871 /nfs/dbraw/zinc/71/58/71/687715871.db2.gz DVFKBRZFQPKWAO-QGZVFWFLSA-N 0 3 307.397 2.385 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC001016877452 687724799 /nfs/dbraw/zinc/72/47/99/687724799.db2.gz BNRYJFMWSALJEH-MRXNPFEDSA-N 0 3 322.412 2.089 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2nc(C3CC3)oc2C)CC1 ZINC001016906203 687731365 /nfs/dbraw/zinc/73/13/65/687731365.db2.gz ANVCVVGVBVRRGP-AWEZNQCLSA-N 0 3 313.401 2.078 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cnoc2C2CC2)CC1 ZINC001016908934 687732380 /nfs/dbraw/zinc/73/23/80/687732380.db2.gz DLOAPRUGLNBZPN-OAHLLOKOSA-N 0 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C#CCN1CC[C@@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001028541356 688541145 /nfs/dbraw/zinc/54/11/45/688541145.db2.gz WIRVREDHMVEUHL-JQHSSLGASA-N 0 3 310.441 2.498 20 30 DEEDHN Cc1ncc(CN(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)s1 ZINC001029733910 688568537 /nfs/dbraw/zinc/56/85/37/688568537.db2.gz OTFNCHWOHDOYSA-OAHLLOKOSA-N 0 3 317.458 2.145 20 30 DEEDHN C=C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)OC ZINC000870532311 688589714 /nfs/dbraw/zinc/58/97/14/688589714.db2.gz SOJPKIKCFFQGEG-INIZCTEOSA-N 0 3 317.385 2.169 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000930718988 694226022 /nfs/dbraw/zinc/22/60/22/694226022.db2.gz XNKNVQHYIPBILN-CYBMUJFWSA-N 0 3 305.426 2.239 20 30 DEEDHN CNC(=O)NC1CCN(Cc2c(C)cc(C#N)cc2C)CC1 ZINC000930727322 694228156 /nfs/dbraw/zinc/22/81/56/694228156.db2.gz YTGTYAOCEACTQM-UHFFFAOYSA-N 0 3 300.406 2.069 20 30 DEEDHN Cc1cccc(C)c1CN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602979 688960852 /nfs/dbraw/zinc/96/08/52/688960852.db2.gz ARCYYTIRRGSIER-UHFFFAOYSA-N 0 3 322.412 2.365 20 30 DEEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872313916 688981059 /nfs/dbraw/zinc/98/10/59/688981059.db2.gz SSJBEAWTTNFYJQ-ZBFHGGJFSA-N 0 3 319.792 2.451 20 30 DEEDHN Cc1nn(C)c2nc(Cl)cc(N=NC3CCN(C)[C@@H]3C)c12 ZINC000872422238 688997862 /nfs/dbraw/zinc/99/78/62/688997862.db2.gz JWYMFGUVULLDCU-SECBINFHSA-N 0 3 306.801 2.422 20 30 DEEDHN CC(C)N1CC(N=Nc2cc(Br)ncn2)[C@H](C)C1 ZINC000872436009 689000156 /nfs/dbraw/zinc/00/01/56/689000156.db2.gz NPELLXTZLMJGSR-SECBINFHSA-N 0 3 312.215 2.367 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001032026286 689045235 /nfs/dbraw/zinc/04/52/35/689045235.db2.gz GDLSDUBYGZDACH-UHFFFAOYSA-N 0 3 319.380 2.022 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC001032034763 689046628 /nfs/dbraw/zinc/04/66/28/689046628.db2.gz CYYOENICFKMGJT-ZDUSSCGKSA-N 0 3 321.446 2.232 20 30 DEEDHN N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)c[nH]1 ZINC001032364509 689131361 /nfs/dbraw/zinc/13/13/61/689131361.db2.gz DZRSVNZKWYHPJH-IRXDYDNUSA-N 0 3 312.417 2.365 20 30 DEEDHN N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)[nH]1 ZINC001032361010 689131368 /nfs/dbraw/zinc/13/13/68/689131368.db2.gz BPUBKNSJHAEBRP-HOTGVXAUSA-N 0 3 312.417 2.365 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)cn1 ZINC001032485118 689164383 /nfs/dbraw/zinc/16/43/83/689164383.db2.gz AMAIKARFINEOGS-IRXDYDNUSA-N 0 3 314.433 2.012 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c2c[nH]nc2ccc1C ZINC001032487644 689164826 /nfs/dbraw/zinc/16/48/26/689164826.db2.gz XYPHMLKBYOSKNH-KBPBESRZSA-N 0 3 310.401 2.346 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000930867521 694258788 /nfs/dbraw/zinc/25/87/88/694258788.db2.gz RAXFLLPBYDCGQM-NHYWBVRUSA-N 0 3 314.389 2.171 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2[nH]ccc21 ZINC001032632854 689207266 /nfs/dbraw/zinc/20/72/66/689207266.db2.gz ITDAHMDUFNCJIW-KBPBESRZSA-N 0 3 310.401 2.428 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n[nH]1 ZINC001032642317 689209476 /nfs/dbraw/zinc/20/94/76/689209476.db2.gz IPOKCORGFPEPEH-KBPBESRZSA-N 0 3 302.422 2.398 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnc1C(C)C ZINC001032664634 689218046 /nfs/dbraw/zinc/21/80/46/689218046.db2.gz LAITUVYQHPKIBC-HOTGVXAUSA-N 0 3 316.449 2.258 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc2cn[nH]c21 ZINC001032683347 689223548 /nfs/dbraw/zinc/22/35/48/689223548.db2.gz YQGSEUOOJOPGFC-GJZGRUSLSA-N 0 3 310.401 2.346 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc2c[nH]nc21 ZINC001032683347 689223551 /nfs/dbraw/zinc/22/35/51/689223551.db2.gz YQGSEUOOJOPGFC-GJZGRUSLSA-N 0 3 310.401 2.346 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCOc2ccccc21 ZINC001032686298 689224446 /nfs/dbraw/zinc/22/44/46/689224446.db2.gz MZMMKQNTZSEXEC-YQQAZPJKSA-N 0 3 312.413 2.414 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1-c1ccco1 ZINC001032791416 689261959 /nfs/dbraw/zinc/26/19/59/689261959.db2.gz RUZSHOCPUMELGK-STQMWFEESA-N 0 3 312.373 2.145 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033075721 689377491 /nfs/dbraw/zinc/37/74/91/689377491.db2.gz HSLXAUGEDCTXIZ-CYBMUJFWSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001033092955 689385350 /nfs/dbraw/zinc/38/53/50/689385350.db2.gz QSOIDWGOUOGTTL-HZPDHXFCSA-N 0 3 306.450 2.138 20 30 DEEDHN C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(CCOC)C2)cc1 ZINC001033202426 689423714 /nfs/dbraw/zinc/42/37/14/689423714.db2.gz GYSNTUMUTBZUII-INIZCTEOSA-N 0 3 318.417 2.044 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001033211307 689426598 /nfs/dbraw/zinc/42/65/98/689426598.db2.gz JTMWIJLXYYYGGZ-HNNXBMFYSA-N 0 3 312.417 2.296 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033255344 689440829 /nfs/dbraw/zinc/44/08/29/689440829.db2.gz JUXRFIURSRQIOY-OAHLLOKOSA-N 0 3 310.401 2.041 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C[C@H]3CCCCO3)C2)C1 ZINC001033394174 689486821 /nfs/dbraw/zinc/48/68/21/689486821.db2.gz PYJNHHPDOUFDOK-HZPDHXFCSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001033492783 689520310 /nfs/dbraw/zinc/52/03/10/689520310.db2.gz CCDPMYYVCOHTDW-SFHVURJKSA-N 0 3 322.412 2.246 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2scc3c2OCCO3)C1 ZINC001033552407 689539908 /nfs/dbraw/zinc/53/99/08/689539908.db2.gz BUQOHBMZFPPEDN-LBPRGKRZSA-N 0 3 322.430 2.242 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033681089 689582020 /nfs/dbraw/zinc/58/20/20/689582020.db2.gz QFPUISNKKGMGJH-MRXNPFEDSA-N 0 3 307.397 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn(C)c2C2CC2)C1 ZINC001033707429 689590356 /nfs/dbraw/zinc/59/03/56/689590356.db2.gz QYRBQOPBASVAED-CQSZACIVSA-N 0 3 302.422 2.020 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033848300 689636592 /nfs/dbraw/zinc/63/65/92/689636592.db2.gz CRVQTZYXFSRRNE-JKSUJKDBSA-N 0 3 316.449 2.414 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccnc3[nH]cnc32)C1 ZINC001033851231 689638246 /nfs/dbraw/zinc/63/82/46/689638246.db2.gz YJBRKTVBDXVREP-ZDUSSCGKSA-N 0 3 313.405 2.070 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccn3nccc23)C1 ZINC001033884488 689650079 /nfs/dbraw/zinc/65/00/79/689650079.db2.gz GHMMWPPKMHETLA-HNNXBMFYSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)cn2C)C1 ZINC001033894866 689653454 /nfs/dbraw/zinc/65/34/54/689653454.db2.gz AZGMXBYROVQUCH-CQSZACIVSA-N 0 3 307.825 2.238 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001033936298 689667213 /nfs/dbraw/zinc/66/72/13/689667213.db2.gz PNCMRCRIUOSJQD-INIZCTEOSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001033935803 689667379 /nfs/dbraw/zinc/66/73/79/689667379.db2.gz KWIPHQZFBSPHKE-IRXDYDNUSA-N 0 3 311.429 2.058 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001033952314 689671654 /nfs/dbraw/zinc/67/16/54/689671654.db2.gz NEQAALCJHONPNU-NSHDSACASA-N 0 3 312.364 2.460 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033961701 689674567 /nfs/dbraw/zinc/67/45/67/689674567.db2.gz MXLKTEKGZADFBH-HNNXBMFYSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cn(CCC)nc2C)C1 ZINC001033998150 689687409 /nfs/dbraw/zinc/68/74/09/689687409.db2.gz GSLAGOFJVGMCEB-MRXNPFEDSA-N 0 3 316.449 2.161 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc3nc[nH]c32)C1 ZINC001034000527 689688568 /nfs/dbraw/zinc/68/85/68/689688568.db2.gz QETDBSGPXDEISV-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(OC)n2)C1 ZINC001034007775 689690719 /nfs/dbraw/zinc/69/07/19/689690719.db2.gz PGIXMSVPMOTKJE-AWEZNQCLSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2n[nH]c3ccccc32)C1 ZINC001034033197 689700871 /nfs/dbraw/zinc/70/08/71/689700871.db2.gz DJYYZAPZDSEKTK-CQSZACIVSA-N 0 3 310.401 2.123 20 30 DEEDHN C#CCN1CCCC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001034290623 689798220 /nfs/dbraw/zinc/79/82/20/689798220.db2.gz JQLZXSPUPMFYCG-GFCCVEGCSA-N 0 3 320.824 2.158 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001034307011 689803715 /nfs/dbraw/zinc/80/37/15/689803715.db2.gz JRQXKTLDCJUKNX-LBPRGKRZSA-N 0 3 310.829 2.234 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001034403075 689836971 /nfs/dbraw/zinc/83/69/71/689836971.db2.gz ZPDDKBQRDMLCDY-BZUAXINKSA-N 0 3 316.449 2.070 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001034423939 689844736 /nfs/dbraw/zinc/84/47/36/689844736.db2.gz KXNDOONKOACFKT-OAHLLOKOSA-N 0 3 300.402 2.392 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001034424287 689845264 /nfs/dbraw/zinc/84/52/64/689845264.db2.gz NDPDPRNDRNGNOD-INIZCTEOSA-N 0 3 312.413 2.229 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001034432297 689849000 /nfs/dbraw/zinc/84/90/00/689849000.db2.gz FMOITCDJNAUXCV-HNNXBMFYSA-N 0 3 315.417 2.468 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001034450368 689854655 /nfs/dbraw/zinc/85/46/55/689854655.db2.gz APPGOXZGUXDDCM-OAHLLOKOSA-N 0 3 305.809 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000876562022 689857440 /nfs/dbraw/zinc/85/74/40/689857440.db2.gz NZXRSXTZJZHVDG-NSHDSACASA-N 0 3 304.724 2.374 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001034487482 689869366 /nfs/dbraw/zinc/86/93/66/689869366.db2.gz NWGCHWCWMXSOOS-AWEZNQCLSA-N 0 3 316.449 2.315 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000876601528 689872487 /nfs/dbraw/zinc/87/24/87/689872487.db2.gz VLDDWVPUTFPQFY-SNVBAGLBSA-N 0 3 311.744 2.119 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2c(NC(C)=O)cccc21 ZINC000876612060 689876286 /nfs/dbraw/zinc/87/62/86/689876286.db2.gz AMVUDCPJGLDYBZ-CYBMUJFWSA-N 0 3 321.808 2.394 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC001034516131 689881389 /nfs/dbraw/zinc/88/13/89/689881389.db2.gz REFCRQDZUOELBO-OAHLLOKOSA-N 0 3 318.417 2.474 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000876641978 689886009 /nfs/dbraw/zinc/88/60/09/689886009.db2.gz WGVZVLYPKCAVPM-AEGPPILISA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC001034532874 689888563 /nfs/dbraw/zinc/88/85/63/689888563.db2.gz QDJPFSCKKSHKGZ-OAHLLOKOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cncnc2CC)C1 ZINC001034536856 689889412 /nfs/dbraw/zinc/88/94/12/689889412.db2.gz XRFPDZOATZXOBV-CQSZACIVSA-N 0 3 302.422 2.199 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001034563939 689898648 /nfs/dbraw/zinc/89/86/48/689898648.db2.gz KXWDLJQKUHJRCW-IRXDYDNUSA-N 0 3 314.429 2.455 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000876683037 689900983 /nfs/dbraw/zinc/90/09/83/689900983.db2.gz PBBFNQIJTYHFHC-SNPRPXQTSA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000876692254 689904324 /nfs/dbraw/zinc/90/43/24/689904324.db2.gz OMPJWXPRBBVTGR-NSHDSACASA-N 0 3 323.780 2.360 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000876767132 689931158 /nfs/dbraw/zinc/93/11/58/689931158.db2.gz BVZAUVOEJVUKDO-WDEREUQCSA-N 0 3 306.797 2.220 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(=O)OCC)Cc1ccccc1 ZINC000876873479 689960199 /nfs/dbraw/zinc/96/01/99/689960199.db2.gz HTXWVHCCGAJGEB-CQSZACIVSA-N 0 3 324.808 2.048 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000876881320 689962893 /nfs/dbraw/zinc/96/28/93/689962893.db2.gz XLQDRLXZRDUJTL-CYBMUJFWSA-N 0 3 317.216 2.443 20 30 DEEDHN CSCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034850962 689964232 /nfs/dbraw/zinc/96/42/32/689964232.db2.gz JBXSQSLYMXEGQZ-LLVKDONJSA-N 0 3 309.460 2.063 20 30 DEEDHN CC[C@@H](OC)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034876588 689975332 /nfs/dbraw/zinc/97/53/32/689975332.db2.gz DACOGQUJLGZCCT-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CNCc2ccccc21 ZINC000877223504 690049712 /nfs/dbraw/zinc/04/97/12/690049712.db2.gz IYUNACFWBIHMGT-IBGZPJMESA-N 0 3 319.408 2.446 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000877252384 690057096 /nfs/dbraw/zinc/05/70/96/690057096.db2.gz MVLNQMSCCIRRRM-LSDHHAIUSA-N 0 3 324.808 2.065 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC(=O)OC)c1cccc(C)c1 ZINC000877291883 690068444 /nfs/dbraw/zinc/06/84/44/690068444.db2.gz QEOGGBLBWAUIRY-KGLIPLIRSA-N 0 3 324.808 2.185 20 30 DEEDHN Cc1nn(C)c(N2CCN(CC3(C)CCCC3)CC2)c1C#N ZINC000877467333 690122150 /nfs/dbraw/zinc/12/21/50/690122150.db2.gz FJEASMBNNDFCGR-UHFFFAOYSA-N 0 3 301.438 2.303 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccncc1F)CC2 ZINC001035673403 690148963 /nfs/dbraw/zinc/14/89/63/690148963.db2.gz GSLJVLPEOUHGSU-UHFFFAOYSA-N 0 3 303.381 2.335 20 30 DEEDHN C#C[C@@H]1CCCN(C[C@@H](CCOC)NC(=O)OC(C)(C)C)C1 ZINC000877617930 690169224 /nfs/dbraw/zinc/16/92/24/690169224.db2.gz ZXDDOLLTBPQOAG-HUUCEWRRSA-N 0 3 310.438 2.261 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]1(C)CCO[C@H]1C)CC2 ZINC001035760254 690170035 /nfs/dbraw/zinc/17/00/35/690170035.db2.gz MPZQATCWRFRVRD-RDJZCZTQSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)c1cncnc1)CC2 ZINC001035775042 690173220 /nfs/dbraw/zinc/17/32/20/690173220.db2.gz SJNJBLGKMXHEAU-HNNXBMFYSA-N 0 3 314.433 2.081 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](OC)C1)CC2 ZINC001035779801 690174466 /nfs/dbraw/zinc/17/44/66/690174466.db2.gz SMSGLSONFCQWAR-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@H](C)O1)CC2 ZINC001035784586 690175395 /nfs/dbraw/zinc/17/53/95/690175395.db2.gz LKDFJFROWHXJHK-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C[C@H](CCC#N)CN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000877643968 690177996 /nfs/dbraw/zinc/17/79/96/690177996.db2.gz MDTUJXSMRBYPEC-CYBMUJFWSA-N 0 3 310.405 2.175 20 30 DEEDHN C#CCCOc1ccc(CN2CCC3(CCNC3=O)CC2)cc1 ZINC000877783362 690226983 /nfs/dbraw/zinc/22/69/83/690226983.db2.gz QAPCQTJTGQDGCE-UHFFFAOYSA-N 0 3 312.413 2.191 20 30 DEEDHN CC(C)[C@H](O)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000877943566 690266983 /nfs/dbraw/zinc/26/69/83/690266983.db2.gz KQZDYWUVNYEJBA-GOSISDBHSA-N 0 3 301.434 2.083 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cnns2)[C@H](C)C1 ZINC001036141586 690274085 /nfs/dbraw/zinc/27/40/85/690274085.db2.gz HCYZADGGMCAQLH-YPMHNXCESA-N 0 3 308.451 2.077 20 30 DEEDHN CC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(F)ccc2C#N)C1 ZINC001036327625 690321236 /nfs/dbraw/zinc/32/12/36/690321236.db2.gz QJVGLDXVKAJRMB-IUODEOHRSA-N 0 3 303.381 2.434 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)NCc2nccn2C)C1 ZINC001036439896 690350898 /nfs/dbraw/zinc/35/08/98/690350898.db2.gz MHJSAZYQKPLYBP-CABCVRRESA-N 0 3 318.465 2.349 20 30 DEEDHN CC(=O)N1CCC[C@@H](C)[C@H]1CNCc1cc(C#N)ccc1F ZINC001036488284 690365367 /nfs/dbraw/zinc/36/53/67/690365367.db2.gz VLLAQRNQYVWRQC-SJKOYZFVSA-N 0 3 303.381 2.434 20 30 DEEDHN CC[C@@H]1CN(CC[C@](C#N)(C(C)=O)c2ccccc2)C[C@H]1O ZINC000878321147 690378341 /nfs/dbraw/zinc/37/83/41/690378341.db2.gz BYNQBXYSWIWBGU-NXHRZFHOSA-N 0 3 300.402 2.130 20 30 DEEDHN C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNCc1ccns1 ZINC001036550598 690382817 /nfs/dbraw/zinc/38/28/17/690382817.db2.gz XZBATTHDSRNXBI-XJKSGUPXSA-N 0 3 317.458 2.273 20 30 DEEDHN O=C(C1CC1)N1CC[C@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036614243 690401716 /nfs/dbraw/zinc/40/17/16/690401716.db2.gz SEQNPURBSYKMHH-MOPGFXCFSA-N 0 3 308.425 2.371 20 30 DEEDHN CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nocc1C ZINC001037846515 690621822 /nfs/dbraw/zinc/62/18/22/690621822.db2.gz KFXNUKGOERQVAX-HZPDHXFCSA-N 0 3 315.417 2.113 20 30 DEEDHN CNC(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000879334087 690622022 /nfs/dbraw/zinc/62/20/22/690622022.db2.gz GUJFEXXGMQGVQK-INIZCTEOSA-N 0 3 300.406 2.150 20 30 DEEDHN N#Cc1cc(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)ccc1F ZINC000879487912 690652279 /nfs/dbraw/zinc/65/22/79/690652279.db2.gz INNCRZBCRVLYBO-MRXNPFEDSA-N 0 3 301.365 2.173 20 30 DEEDHN CCOC(=O)CCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585225 690680709 /nfs/dbraw/zinc/68/07/09/690680709.db2.gz BIUDNXXBYZFCRK-UHFFFAOYSA-N 0 3 315.417 2.414 20 30 DEEDHN CC1(C)CC(CN2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001038174617 690730802 /nfs/dbraw/zinc/73/08/02/690730802.db2.gz UYZJIHUSIUZGJB-AWEZNQCLSA-N 0 3 300.406 2.127 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001038249383 690757231 /nfs/dbraw/zinc/75/72/31/690757231.db2.gz FUNOFGOWTRBMPP-ZBFHGGJFSA-N 0 3 318.392 2.143 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038311045 690776592 /nfs/dbraw/zinc/77/65/92/690776592.db2.gz NBBGNCGYYMZUBO-AWEZNQCLSA-N 0 3 304.438 2.408 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038425586 690817830 /nfs/dbraw/zinc/81/78/30/690817830.db2.gz BLFPPQSDXTWVRG-OAHLLOKOSA-N 0 3 312.417 2.344 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1N(Cc1ccc(OC)c(C#N)c1)CC2 ZINC000880182908 690832841 /nfs/dbraw/zinc/83/28/41/690832841.db2.gz DRJCSKLFBPMGPO-AEFFLSMTSA-N 0 3 314.385 2.484 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC001038490877 690839368 /nfs/dbraw/zinc/83/93/68/690839368.db2.gz DTNLDMBCJLYYJW-LLVKDONJSA-N 0 3 312.211 2.157 20 30 DEEDHN C#CCNC(=O)CN1CC[C@H](c2cccc(OC)c2)C1(C)C ZINC000880283452 690858287 /nfs/dbraw/zinc/85/82/87/690858287.db2.gz KYRBTFJJQWTSAH-MRXNPFEDSA-N 0 3 300.402 2.013 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573918 690863492 /nfs/dbraw/zinc/86/34/92/690863492.db2.gz ZYDPSGJRMRMCIR-HNNXBMFYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880494358 690911181 /nfs/dbraw/zinc/91/11/81/690911181.db2.gz AHLPCFSZPFFKIU-GOSISDBHSA-N 0 3 300.402 2.066 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038747932 690913377 /nfs/dbraw/zinc/91/33/77/690913377.db2.gz CKZKWSATBPFCPB-AWEZNQCLSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038752274 690914734 /nfs/dbraw/zinc/91/47/34/690914734.db2.gz OJEYUUROSVZXDS-CYBMUJFWSA-N 0 3 314.389 2.039 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038902193 690961156 /nfs/dbraw/zinc/96/11/56/690961156.db2.gz LDIWWTKCBSDMGU-LLVKDONJSA-N 0 3 312.364 2.128 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(OCC)c(OC)c1 ZINC001039019567 690994160 /nfs/dbraw/zinc/99/41/60/690994160.db2.gz UFGZFXAIYGLJGQ-HNNXBMFYSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039062725 691007360 /nfs/dbraw/zinc/00/73/60/691007360.db2.gz YZAGPPAMJKESGP-AWEZNQCLSA-N 0 3 315.377 2.229 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001039113427 691023396 /nfs/dbraw/zinc/02/33/96/691023396.db2.gz QUWLRSMVGFKNHF-SWLSCSKDSA-N 0 3 309.841 2.459 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cc([C@H](C)N)nn1 ZINC000881182843 691044199 /nfs/dbraw/zinc/04/41/99/691044199.db2.gz VVGGVIPOKLHVLZ-RYUDHWBXSA-N 0 3 319.434 2.135 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc(C)nc2)C1 ZINC001039192179 691046272 /nfs/dbraw/zinc/04/62/72/691046272.db2.gz 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BRIRUIYGZNYPEW-GOSISDBHSA-N 0 3 315.417 2.188 20 30 DEEDHN C#CCN1CCC[C@]2(CCN(C(=O)Cc3ccccc3F)C2)C1 ZINC001040517150 691260281 /nfs/dbraw/zinc/26/02/81/691260281.db2.gz ZSKMHOAZBPHZIF-IBGZPJMESA-N 0 3 314.404 2.316 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)Cc3ccccc3C)C2)C1 ZINC001040524947 691261606 /nfs/dbraw/zinc/26/16/06/691261606.db2.gz OPDPVVODCIMVQZ-HXUWFJFHSA-N 0 3 310.441 2.485 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)C[C@@H]3CCCCO3)C2)CC1 ZINC001040666625 691277771 /nfs/dbraw/zinc/27/77/71/691277771.db2.gz GUSNXUHETRYGNA-KRWDZBQOSA-N 0 3 318.461 2.283 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@H](F)C3)C2)CC1 ZINC001040700106 691280405 /nfs/dbraw/zinc/28/04/05/691280405.db2.gz IDIIVDBOKGQVDB-CVEARBPZSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)c3nc(C)c(C)s3)C2)CC1 ZINC001040941933 691299992 /nfs/dbraw/zinc/29/99/92/691299992.db2.gz RLHNEDXVQNFNPG-UHFFFAOYSA-N 0 3 317.458 2.321 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC001041137677 691332719 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C=C(Cl)CN1CCCC[C@@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC001402744364 1162457137 /nfs/dbraw/zinc/45/71/37/1162457137.db2.gz UHPZXKFXFIRADR-CYBMUJFWSA-N 0 3 324.856 2.411 20 30 DEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001356240493 1152066330 /nfs/dbraw/zinc/06/63/30/1152066330.db2.gz YYUPESURBDENDR-GUIRCDHDSA-N 0 3 318.760 2.412 20 30 DEEDHN Cc1ccc(CNC2(CNC(=O)c3c[nH]c(C#N)c3)CC2)cc1 ZINC001380072321 1152745214 /nfs/dbraw/zinc/74/52/14/1152745214.db2.gz SORIPLRQTIFPCP-UHFFFAOYSA-N 0 3 308.385 2.247 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2nc[nH]c2C)c1 ZINC001362299701 1152872220 /nfs/dbraw/zinc/87/22/20/1152872220.db2.gz TZJAFCWWWZGWTR-CQSZACIVSA-N 0 3 312.373 2.258 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)CCOc1ccccc1 ZINC001402904146 1162527060 /nfs/dbraw/zinc/52/70/60/1162527060.db2.gz MFRXISLHTXDTPQ-CVEARBPZSA-N 0 3 315.417 2.148 20 30 DEEDHN Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)c(C)s1 ZINC001381472663 1153078535 /nfs/dbraw/zinc/07/85/35/1153078535.db2.gz 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315.392 2.338 20 30 DEEDHN C[C@H](CCNC(=O)C(C)(C)F)NCc1cc(C#N)ccc1F ZINC001371693857 1155929121 /nfs/dbraw/zinc/92/91/21/1155929121.db2.gz AKMRTZPHNYSREQ-LLVKDONJSA-N 0 3 309.360 2.430 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@H](F)C(C)C ZINC001371805131 1156023244 /nfs/dbraw/zinc/02/32/44/1156023244.db2.gz HFNPFNURHBCZOY-WDEREUQCSA-N 0 3 309.223 2.374 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1csc(C)n1 ZINC001371871179 1156047540 /nfs/dbraw/zinc/04/75/40/1156047540.db2.gz CXSCRGKWFGOZSM-JTQLQIEISA-N 0 3 301.843 2.231 20 30 DEEDHN COc1ccc(CN(CCNC(=O)[C@@H](C)C#N)C2CC2)cc1C ZINC001391158434 1156197754 /nfs/dbraw/zinc/19/77/54/1156197754.db2.gz ZOKMHLODURRLLG-AWEZNQCLSA-N 0 3 315.417 2.244 20 30 DEEDHN CCN(CCNC(=O)c1ccccn1)Cc1cccc(C#N)c1 ZINC001372257937 1156329788 /nfs/dbraw/zinc/32/97/88/1156329788.db2.gz VHQBFJIAWYLMIP-UHFFFAOYSA-N 0 3 308.385 2.205 20 30 DEEDHN CCN(CCNC(=O)c1[nH]ccc1C)Cc1ccc(C#N)cc1 ZINC001372321761 1156356313 /nfs/dbraw/zinc/35/63/13/1156356313.db2.gz 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C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001374740733 1157996604 /nfs/dbraw/zinc/99/66/04/1157996604.db2.gz DZQUCAYRJQQLLN-SNVBAGLBSA-N 0 3 318.327 2.073 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC001393877196 1158038381 /nfs/dbraw/zinc/03/83/81/1158038381.db2.gz NIXBGINTHKLJHY-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN C[C@H](C#N)C(=O)NC1CC(CNCc2cc(O)ccc2Cl)C1 ZINC001393890403 1158049721 /nfs/dbraw/zinc/04/97/21/1158049721.db2.gz DYSQWSICZQYCHR-XSRFYTQQSA-N 0 3 321.808 2.190 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCc2cccnc2)C1 ZINC001393897204 1158053528 /nfs/dbraw/zinc/05/35/28/1158053528.db2.gz PDTVWERSKSIPJV-UHFFFAOYSA-N 0 3 307.825 2.251 20 30 DEEDHN Cc1[nH]ccc1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001394058907 1158221637 /nfs/dbraw/zinc/22/16/37/1158221637.db2.gz UVJPDVZAZPJTHQ-ZDUSSCGKSA-N 0 3 310.401 2.445 20 30 DEEDHN Cc1nocc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001375097360 1158312383 /nfs/dbraw/zinc/31/23/83/1158312383.db2.gz 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N#Cc1ccc(CN[C@@H](CNC(=O)CCCF)C2CC2)c(F)c1 ZINC001419280125 1168370948 /nfs/dbraw/zinc/37/09/48/1168370948.db2.gz QXEXMTAJGZDSFH-INIZCTEOSA-N 0 3 321.371 2.431 20 30 DEEDHN C[C@@H](CNC(=O)CC(F)(F)F)NCc1ccc(C#N)s1 ZINC001419702491 1168810267 /nfs/dbraw/zinc/81/02/67/1168810267.db2.gz HCRGVLADHSPLGJ-QMMMGPOBSA-N 0 3 305.325 2.166 20 30 DEEDHN Cc1cc(C)cc(OCCN(C)CCN(C)C(=O)[C@H](C)C#N)c1 ZINC001419953723 1169001384 /nfs/dbraw/zinc/00/13/84/1169001384.db2.gz NOYVOQBNEQWGLO-MRXNPFEDSA-N 0 3 317.433 2.232 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001420097249 1169159193 /nfs/dbraw/zinc/15/91/93/1169159193.db2.gz GZGZCTSTGJHAGP-JTQLQIEISA-N 0 3 321.812 2.117 20 30 DEEDHN Cc1nsc(C)c1CNC[C@](C)(NC(=O)[C@@H](C)C#N)C1CC1 ZINC001421553717 1171845739 /nfs/dbraw/zinc/84/57/39/1171845739.db2.gz YZUODFZOKFWBOL-QFYYESIMSA-N 0 3 320.462 2.294 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001421566877 1171850390 /nfs/dbraw/zinc/85/03/90/1171850390.db2.gz CKWRKFNQUKZSGU-CZUORRHYSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)c1cnn(C)c1)C1CC1 ZINC001421568361 1171851738 /nfs/dbraw/zinc/85/17/38/1171851738.db2.gz IIROTTOZMCJZCL-BLLLJJGKSA-N 0 3 324.856 2.151 20 30 DEEDHN COCCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001421820948 1172016474 /nfs/dbraw/zinc/01/64/74/1172016474.db2.gz JXMYKJDAUAWSKE-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1Cc2cccnc2C1)C(C)C ZINC001422136177 1172333211 /nfs/dbraw/zinc/33/32/11/1172333211.db2.gz FHCKMGUIFGXSSQ-ZBFHGGJFSA-N 0 3 321.852 2.279 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)C1CCC(O)CC1 ZINC001422440493 1172593346 /nfs/dbraw/zinc/59/33/46/1172593346.db2.gz FGZYUXSNORZNKI-UHFFFAOYSA-N 0 3 316.873 2.364 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCO[C@H]1C ZINC001422460574 1172610729 /nfs/dbraw/zinc/61/07/29/1172610729.db2.gz BNAXTNWWZYIUFJ-STQMWFEESA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](CNC(=O)CC1CC1)N(C)Cc1ccc(OCC#N)cc1 ZINC001422465781 1172613790 /nfs/dbraw/zinc/61/37/90/1172613790.db2.gz HCZATRWDPCXDEW-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@]1(C)CCCOC1 ZINC001422575979 1172722340 /nfs/dbraw/zinc/72/23/40/1172722340.db2.gz GZFZGJHHKOSKNK-WBMJQRKESA-N 0 3 321.446 2.031 20 30 DEEDHN COC1(CC(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CCC1 ZINC001422652626 1172792166 /nfs/dbraw/zinc/79/21/66/1172792166.db2.gz OPSLGGPUOZJUOV-LBPRGKRZSA-N 0 3 321.446 2.173 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001422748838 1172841580 /nfs/dbraw/zinc/84/15/80/1172841580.db2.gz YMMSYOCUILNDCI-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001423010006 1173013823 /nfs/dbraw/zinc/01/38/23/1173013823.db2.gz OZPVHFDBESILSP-KMUNFCNLSA-N 0 3 303.431 2.260 20 30 DEEDHN C[C@H](CN(C)C(=O)c1ccns1)NCc1ccc(C#N)s1 ZINC001423089717 1173069974 /nfs/dbraw/zinc/06/99/74/1173069974.db2.gz SXOSCJZOGIVCDY-SNVBAGLBSA-N 0 3 320.443 2.327 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCN1C(=O)C(C)(C)n1cnc(C)c1 ZINC001423471819 1173365341 /nfs/dbraw/zinc/36/53/41/1173365341.db2.gz SIKMUEDTRBWAJX-AWEZNQCLSA-N 0 3 324.856 2.260 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001423669311 1173479423 /nfs/dbraw/zinc/47/94/23/1173479423.db2.gz CKCFPLYJNMFGEI-CQSZACIVSA-N 0 3 315.889 2.297 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)NCc1ccc(C#N)s1 ZINC001425563879 1174375150 /nfs/dbraw/zinc/37/51/50/1174375150.db2.gz KGDLQKZFJYHLIJ-DOMZBBRYSA-N 0 3 321.446 2.125 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCC[C@H](c3ccncn3)C2)c1 ZINC001434456715 1178581902 /nfs/dbraw/zinc/58/19/02/1178581902.db2.gz GRTLOEQKNABICB-FUHWJXTLSA-N 0 3 308.385 2.261 20 30 DEEDHN N#Cc1ccc(CN[C@H](CNC(=O)[C@@H]2CC23CC3)C2CC2)s1 ZINC001436818661 1179262156 /nfs/dbraw/zinc/26/21/56/1179262156.db2.gz YLUJEOVSLSRHNU-LSDHHAIUSA-N 0 3 315.442 2.404 20 30 DEEDHN CC[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001436885312 1179288807 /nfs/dbraw/zinc/28/88/07/1179288807.db2.gz FOUVCPOAYIHHLW-KCPJHIHWSA-N 0 3 303.381 2.480 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H](CC)SC)C1 ZINC001436946614 1179314259 /nfs/dbraw/zinc/31/42/59/1179314259.db2.gz SFQZNKINODEURH-AXFHLTTASA-N 0 3 321.284 2.273 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cn(C)nc1C1CC1 ZINC001437374134 1179771344 /nfs/dbraw/zinc/77/13/44/1179771344.db2.gz CNZWANVTLLYFMM-LLVKDONJSA-N 0 3 310.829 2.148 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001437396516 1179781061 /nfs/dbraw/zinc/78/10/61/1179781061.db2.gz OETHYCCQXBJXHU-DGCLKSJQSA-N 0 3 312.845 2.151 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccc2cccnn21)C(C)C ZINC001438826196 1180823298 /nfs/dbraw/zinc/82/32/98/1180823298.db2.gz GDGAQALCCHSKPG-AWEZNQCLSA-N 0 3 320.824 2.431 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cnc(C)nc1C)C(C)C ZINC001438829785 1180823928 /nfs/dbraw/zinc/82/39/28/1180823928.db2.gz UQDALISEBXPRHE-CQSZACIVSA-N 0 3 310.829 2.190 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cnc(C)nc1C)C(C)C ZINC001438829783 1180824673 /nfs/dbraw/zinc/82/46/73/1180824673.db2.gz UQDALISEBXPRHE-AWEZNQCLSA-N 0 3 310.829 2.190 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC1CCC1 ZINC001439102108 1180883513 /nfs/dbraw/zinc/88/35/13/1180883513.db2.gz NGRNPTOAZSCYQM-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1(CCF)CC1 ZINC001439138984 1180894057 /nfs/dbraw/zinc/89/40/57/1180894057.db2.gz UOUPBGHUVZVPFI-GFCCVEGCSA-N 0 3 321.371 2.431 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CC(F)(F)F ZINC001439357990 1181042638 /nfs/dbraw/zinc/04/26/38/1181042638.db2.gz JAKRCNGAKFOPNR-LLVKDONJSA-N 0 3 313.323 2.447 20 30 DEEDHN CC(C)Oc1cccc(CNC2(CNC(=O)[C@H](C)C#N)CC2)c1 ZINC001439598811 1181163833 /nfs/dbraw/zinc/16/38/33/1181163833.db2.gz RDJMIZBKAGDYIH-CQSZACIVSA-N 0 3 315.417 2.372 20 30 DEEDHN CCO[C@@H](CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440901694 1181753107 /nfs/dbraw/zinc/75/31/07/1181753107.db2.gz PVIDQIGMUAFJNZ-PBHICJAKSA-N 0 3 317.433 2.310 20 30 DEEDHN CCO[C@H](C)C(=O)NC[C@H](NCc1ccc(C#N)s1)C1CC1 ZINC001441153681 1181873429 /nfs/dbraw/zinc/87/34/29/1181873429.db2.gz BERMOMRFBQXODU-ABAIWWIYSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H](NCc1ccccc1Cl)C1CC1 ZINC001441179497 1181885832 /nfs/dbraw/zinc/88/58/32/1181885832.db2.gz WGMJMMVZXNGDEN-XHDPSFHLSA-N 0 3 305.809 2.484 20 30 DEEDHN C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001441472274 1182010258 /nfs/dbraw/zinc/01/02/58/1182010258.db2.gz NKRMOMCNVDJNMF-CYBMUJFWSA-N 0 3 324.856 2.266 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1 ZINC001444524676 1183430326 /nfs/dbraw/zinc/43/03/26/1183430326.db2.gz OPDJOMKIQSDIQL-SEBNEYGDSA-N 0 3 324.852 2.181 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1=CCCC1 ZINC001445353259 1183843994 /nfs/dbraw/zinc/84/39/94/1183843994.db2.gz QWLFYDBHUJBMMN-GFCCVEGCSA-N 0 3 301.365 2.402 20 30 DEEDHN C[C@@H](CNCc1cc(F)cc(F)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001445534855 1183895167 /nfs/dbraw/zinc/89/51/67/1183895167.db2.gz DZQUCAYRJQQLLN-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@@H](C)CN(C)Cc1cccc(C#N)c1 ZINC001445688803 1183978756 /nfs/dbraw/zinc/97/87/56/1183978756.db2.gz OEZISYOUEOQHHQ-ZDUSSCGKSA-N 0 3 310.401 2.445 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CN(C)CCOC1CCCCCC1 ZINC001445690141 1183981782 /nfs/dbraw/zinc/98/17/82/1183981782.db2.gz RKWMDLZWCQMPOH-GJZGRUSLSA-N 0 3 309.454 2.322 20 30 DEEDHN CO[C@@H](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001445711490 1184006413 /nfs/dbraw/zinc/00/64/13/1184006413.db2.gz LMFILKUOCNHAOA-CABCVRRESA-N 0 3 317.433 2.310 20 30 DEEDHN CC[C@@H](F)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001370500141 1149800970 /nfs/dbraw/zinc/80/09/70/1149800970.db2.gz NFHPPDYMICIVCK-MGPQQGTHSA-N 0 3 307.344 2.182 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)c3ccncc3)C2)C1 ZINC001072848824 790272239 /nfs/dbraw/zinc/27/22/39/790272239.db2.gz LQRHDRHGPAMBLF-INIZCTEOSA-N 0 3 311.429 2.133 20 30 DEEDHN Cc1cnc(CNC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)s1 ZINC001106099863 782232239 /nfs/dbraw/zinc/23/22/39/782232239.db2.gz QWPUIJUREBRHGC-UKRRQHHQSA-N 0 3 319.474 2.295 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cccc4cnccc43)C2)C1 ZINC001072859178 790276327 /nfs/dbraw/zinc/27/63/27/790276327.db2.gz YYDRQDJQBIIVFP-UHFFFAOYSA-N 0 3 321.424 2.498 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001077509189 782282996 /nfs/dbraw/zinc/28/29/96/782282996.db2.gz OKTNDOMRLFKIJU-ZIAGYGMSSA-N 0 3 322.474 2.153 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cnn(C(C)(C)C)c1)C(C)C ZINC001332710909 1149883048 /nfs/dbraw/zinc/88/30/48/1149883048.db2.gz MVCZSRXTOURSRN-UHFFFAOYSA-N 0 3 318.465 2.444 20 30 DEEDHN C#CCCCC(=O)N(C)C1CC(NCc2oc(C)nc2C)C1 ZINC001333062507 1149980847 /nfs/dbraw/zinc/98/08/47/1149980847.db2.gz WTTADBWDJYZNFM-UHFFFAOYSA-N 0 3 303.406 2.174 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCOC(C)C)C[C@H](C)O2 ZINC001111535130 782747800 /nfs/dbraw/zinc/74/78/00/782747800.db2.gz JCYZXIFTCZXVFV-INIZCTEOSA-N 0 3 324.465 2.069 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)c2occc2Cl)CC1 ZINC001333389419 1150043462 /nfs/dbraw/zinc/04/34/62/1150043462.db2.gz BIZAAIUWLSEBEA-UHFFFAOYSA-N 0 3 324.808 2.498 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2coc(CC)n2)CC(C)(C)C1 ZINC001089364443 783031477 /nfs/dbraw/zinc/03/14/77/783031477.db2.gz ADBVEYOIXBPQJX-ZDUSSCGKSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ncccc2CC)CC(C)(C)C1 ZINC001089428414 783097466 /nfs/dbraw/zinc/09/74/66/783097466.db2.gz XHSJMRBWLKQRLO-MRXNPFEDSA-N 0 3 313.445 2.498 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3occc31)C2 ZINC001095796867 783103592 /nfs/dbraw/zinc/10/35/92/783103592.db2.gz MXNPUVIVYJPLFO-SNPRPXQTSA-N 0 3 309.369 2.186 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccnn2CC(C)C)C[C@H]1C ZINC000947361398 783117684 /nfs/dbraw/zinc/11/76/84/783117684.db2.gz NXBCSHLXJIWMBT-HZPDHXFCSA-N 0 3 316.449 2.145 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C[C@H]1C ZINC000947491933 783152289 /nfs/dbraw/zinc/15/22/89/783152289.db2.gz CQGJRDDVBZIKFY-CABCVRRESA-N 0 3 324.428 2.477 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)C[C@@H]1C ZINC000947596932 783184084 /nfs/dbraw/zinc/18/40/84/783184084.db2.gz DQJYWUZCGVYILQ-DZGCQCFKSA-N 0 3 310.401 2.399 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)c2c(C)noc2C)C[C@@H]1C ZINC000947639698 783196330 /nfs/dbraw/zinc/19/63/30/783196330.db2.gz WAFKXYAOIABORV-SWLSCSKDSA-N 0 3 317.433 2.171 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2c[nH]c3cnccc23)C[C@@H]1C ZINC000947654004 783198806 /nfs/dbraw/zinc/19/88/06/783198806.db2.gz WZXNBVKQCXEXPM-GOEBONIOSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(CCC(C)C)nn2)C[C@H]1C ZINC000947719503 783212343 /nfs/dbraw/zinc/21/23/43/783212343.db2.gz OOLXBVDFESSJAK-HUUCEWRRSA-N 0 3 319.453 2.093 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000947751529 783221911 /nfs/dbraw/zinc/22/19/11/783221911.db2.gz YVLNSNLXVBVEOI-YPMHNXCESA-N 0 3 324.346 2.249 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2-n2cccn2)C[C@H]1C ZINC000947749074 783221937 /nfs/dbraw/zinc/22/19/37/783221937.db2.gz BRPZPOBYFKMTLG-CVEARBPZSA-N 0 3 322.412 2.088 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ncsc3C3CC3)C2)C1 ZINC001072976811 790347374 /nfs/dbraw/zinc/34/73/74/790347374.db2.gz ASKDPMSMKOLKSO-UHFFFAOYSA-N 0 3 303.431 2.354 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(OC)c3C)C2)C1 ZINC001073014977 790385295 /nfs/dbraw/zinc/38/52/95/790385295.db2.gz HXILRASMSVMPIN-UHFFFAOYSA-N 0 3 300.402 2.338 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCNCc2cc3ccccc3o2)c1 ZINC001125390938 776890257 /nfs/dbraw/zinc/89/02/57/776890257.db2.gz KCSMSZZQYLWLIM-UHFFFAOYSA-N 0 3 308.341 2.152 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@H](O)C1 ZINC001090759186 790493837 /nfs/dbraw/zinc/49/38/37/790493837.db2.gz FHBISKUIVWMXKS-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2cscn2)CC1 ZINC001167399508 776988841 /nfs/dbraw/zinc/98/88/41/776988841.db2.gz QYINBCWXQHGUKX-UHFFFAOYSA-N 0 3 313.854 2.314 20 30 DEEDHN Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)sn1 ZINC001087136454 777028476 /nfs/dbraw/zinc/02/84/76/777028476.db2.gz UYEUQLWXFAEVFR-BZPMIXESSA-N 0 3 320.462 2.328 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H](O)C1 ZINC001090772855 790511584 /nfs/dbraw/zinc/51/15/84/790511584.db2.gz BLSLJLBGQMASEW-DLBZAZTESA-N 0 3 302.418 2.045 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3ccccc32)[C@H](O)C1 ZINC001090779393 790525641 /nfs/dbraw/zinc/52/56/41/790525641.db2.gz DOFOJOHKGMBEFL-RTBURBONSA-N 0 3 322.408 2.028 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC001167508726 777277317 /nfs/dbraw/zinc/27/73/17/777277317.db2.gz KCIBZARFLOFBRG-JSGCOSHPSA-N 0 3 302.846 2.430 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1c1ccccc1 ZINC001211577803 777472843 /nfs/dbraw/zinc/47/28/43/777472843.db2.gz BSEOSIVBWSCPIL-BPQIPLTHSA-N 0 3 314.429 2.019 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ncoc3CC)C(C)(C)[C@H]21 ZINC001087276949 777696800 /nfs/dbraw/zinc/69/68/00/777696800.db2.gz HQBZLRKZGQADQD-KCXAZCMYSA-N 0 3 315.417 2.089 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3oc(C)nc3C)C(C)(C)[C@H]21 ZINC001087279022 777704507 /nfs/dbraw/zinc/70/45/07/777704507.db2.gz QDJFKTOSGDTSOX-KBMXLJTQSA-N 0 3 315.417 2.143 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3csnc3C)C(C)(C)[C@H]21 ZINC001087281257 777710244 /nfs/dbraw/zinc/71/02/44/777710244.db2.gz DQFQPPGQJZZLNV-YUELXQCFSA-N 0 3 317.458 2.304 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCOCC)C2 ZINC001111485304 777710317 /nfs/dbraw/zinc/71/03/17/777710317.db2.gz PJRGYSABBPOYJT-ZACQAIPSSA-N 0 3 306.450 2.328 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1c1ccccc1 ZINC001211635451 777745725 /nfs/dbraw/zinc/74/57/25/777745725.db2.gz ZMJVRWUPIOPFOJ-LSDHHAIUSA-N 0 3 306.356 2.249 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3conc3C)C(C)(C)[C@@H]21 ZINC001087303557 777754539 /nfs/dbraw/zinc/75/45/39/777754539.db2.gz OEACAZBMUVTQAG-FVQBIDKESA-N 0 3 315.417 2.225 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1C(F)(F)F ZINC001112043997 778150778 /nfs/dbraw/zinc/15/07/78/778150778.db2.gz ZIXVAFATAGVLFA-MGPQQGTHSA-N 0 3 314.351 2.345 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C ZINC001104855976 778215913 /nfs/dbraw/zinc/21/59/13/778215913.db2.gz ZIKOUSJJCXAOQQ-UMVBOHGHSA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1C ZINC001104962602 778279505 /nfs/dbraw/zinc/27/95/05/778279505.db2.gz DUABNHJOGAXHMT-DGCLKSJQSA-N 0 3 324.856 2.412 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105334634 778465854 /nfs/dbraw/zinc/46/58/54/778465854.db2.gz KIOTTWQONKBWOQ-UHFFFAOYSA-N 0 3 319.453 2.009 20 30 DEEDHN CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001087424846 778598691 /nfs/dbraw/zinc/59/86/91/778598691.db2.gz RXDWANHRZWWHRV-QZTJIDSGSA-N 0 3 322.412 2.494 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)COc3ccccc3C)C2)C1 ZINC001073400045 790636891 /nfs/dbraw/zinc/63/68/91/790636891.db2.gz JCLVRZULGLUYGK-UHFFFAOYSA-N 0 3 300.402 2.094 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccccc3Cl)C2)C1 ZINC001073406613 790640494 /nfs/dbraw/zinc/64/04/94/790640494.db2.gz IHUHYXRKIWYNPL-UHFFFAOYSA-N 0 3 316.832 2.440 20 30 DEEDHN N#C[C@H]1CC[C@H](Nc2cccc(=NN3C(=O)CCC3=O)[nH]2)CC1 ZINC001167844768 778708361 /nfs/dbraw/zinc/70/83/61/778708361.db2.gz ULUREBIVLSWVJZ-HAQNSBGRSA-N 0 3 313.361 2.052 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc4ccccc4n3)C2)C1 ZINC000981813353 778718307 /nfs/dbraw/zinc/71/83/07/778718307.db2.gz JGVXFKDEWNHUJO-UHFFFAOYSA-N 0 3 322.412 2.354 20 30 DEEDHN C=CC(C)(C)CC(=O)NCC1CC(NCc2cnc(C)nc2)C1 ZINC001100367810 778741466 /nfs/dbraw/zinc/74/14/66/778741466.db2.gz ZDEFRBORBIJZJI-UHFFFAOYSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CC4CCC3CC4)C2)C1 ZINC001073465750 790673722 /nfs/dbraw/zinc/67/37/22/790673722.db2.gz LPIGZSMOLJZHSJ-OFLPRAFFSA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCOC(=O)[C@@H](Nc1cnc2c(c1)CNCC2)[C@@H](C)CC ZINC001167957703 779042096 /nfs/dbraw/zinc/04/20/96/779042096.db2.gz MWNRJJIBTOIUMC-LRDDRELGSA-N 0 3 303.406 2.283 20 30 DEEDHN C#CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CC)C1 ZINC001087471627 779125671 /nfs/dbraw/zinc/12/56/71/779125671.db2.gz MLVBFHKWZZLTHS-ROUUACIJSA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3coc(C(C)(C)C)n3)[C@@H]2C1 ZINC001075786538 779235520 /nfs/dbraw/zinc/23/55/20/779235520.db2.gz XOBMREYBCFOSNF-DZGCQCFKSA-N 0 3 315.417 2.142 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCOCC)CC1 ZINC001105389551 779260363 /nfs/dbraw/zinc/26/03/63/779260363.db2.gz SRORVVRZUFWOIV-SFHVURJKSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(Cl)cnn2C)[C@H]1CC ZINC001087573384 779358491 /nfs/dbraw/zinc/35/84/91/779358491.db2.gz IMXQLLFPUVHGLR-QWHCGFSZSA-N 0 3 310.829 2.232 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(OCC)no2)[C@H]1CC ZINC001087660420 779401583 /nfs/dbraw/zinc/40/15/83/779401583.db2.gz JJYHQFIMEMVIOL-QWHCGFSZSA-N 0 3 307.394 2.232 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)n2)[C@H]1CC ZINC001087746872 779434914 /nfs/dbraw/zinc/43/49/14/779434914.db2.gz UUFHKQFBYWIBGE-DZGCQCFKSA-N 0 3 300.406 2.123 20 30 DEEDHN C=CCCN1CC[C@H](NC(=O)c2scnc2COC)[C@H]1CC ZINC001087754533 779438039 /nfs/dbraw/zinc/43/80/39/779438039.db2.gz MFDUJNOQYHPGRL-GXTWGEPZSA-N 0 3 323.462 2.448 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2COc3ccccc32)[C@H]1CC ZINC001087848211 779483684 /nfs/dbraw/zinc/48/36/84/779483684.db2.gz MMAOHRJKSGIMDX-OWCLPIDISA-N 0 3 300.402 2.318 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C34CCC(CC3)C4)C[C@@H]2C1 ZINC001088013945 779634922 /nfs/dbraw/zinc/63/49/22/779634922.db2.gz ALWZPYPUMIBNBB-ISXWCOSWSA-N 0 3 300.446 2.370 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001088069581 779669718 /nfs/dbraw/zinc/66/97/18/779669718.db2.gz DTARGBXYUUNERJ-VLQPXKRTSA-N 0 3 323.440 2.495 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3nc(Cl)cs3)C[C@@H]2C1 ZINC001088080640 779684342 /nfs/dbraw/zinc/68/43/42/779684342.db2.gz GUWVNOODLKSQQF-NEPJUHHUSA-N 0 3 323.849 2.214 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001073574336 790726348 /nfs/dbraw/zinc/72/63/48/790726348.db2.gz PMWDPKCSOQWCJO-OAHLLOKOSA-N 0 3 306.406 2.293 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cc(C)oc3C)C[C@@H]2C1 ZINC001088141481 779724840 /nfs/dbraw/zinc/72/48/40/779724840.db2.gz NBSQCELKQYZTHW-UAGQMJEPSA-N 0 3 314.429 2.413 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(CCC)on3)C[C@@H]2C1 ZINC001088157532 779737136 /nfs/dbraw/zinc/73/71/36/779737136.db2.gz SPICECBWLURJKU-CABCVRRESA-N 0 3 315.417 2.044 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3c(F)cccc3F)C[C@@H]2C1 ZINC001088181497 779760390 /nfs/dbraw/zinc/76/03/90/779760390.db2.gz MYZQPSRHTBVINP-KGLIPLIRSA-N 0 3 318.367 2.382 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001073601123 790733112 /nfs/dbraw/zinc/73/31/12/790733112.db2.gz GRCCCIRXWHDXDY-IAGOWNOFSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C=C)c3ccccc3)C[C@@H]2C1 ZINC001088209502 779776119 /nfs/dbraw/zinc/77/61/19/779776119.db2.gz ABJVRSZXTFHEGB-CEXWTWQISA-N 0 3 308.425 2.370 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC001088238019 779795552 /nfs/dbraw/zinc/79/55/52/779795552.db2.gz IOIUVDAMLBQILP-INIZCTEOSA-N 0 3 324.440 2.252 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cn2cncc2C)C1 ZINC001088348275 780005405 /nfs/dbraw/zinc/00/54/05/780005405.db2.gz OYMIIXJZVGNXBD-HNNXBMFYSA-N 0 3 324.856 2.305 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001088418270 780096429 /nfs/dbraw/zinc/09/64/29/780096429.db2.gz LDUXSVUMDFLSLV-CQSZACIVSA-N 0 3 324.856 2.374 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@H](OC)C1 ZINC001211906103 780116405 /nfs/dbraw/zinc/11/64/05/780116405.db2.gz NKJDIGOYUHWEQA-BRWVUGGUSA-N 0 3 324.465 2.117 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cccnc3n2)[C@H]1C ZINC001088582635 780539847 /nfs/dbraw/zinc/53/98/47/780539847.db2.gz ADQZFPQCAFPBKP-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccnc(F)c2)[C@H](OC)C1 ZINC001211972523 780549239 /nfs/dbraw/zinc/54/92/39/780549239.db2.gz QBZVRDPVJRXDNY-BPLDGKMQSA-N 0 3 321.396 2.004 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnn4ccc(C)cc34)[C@@H]2C1 ZINC001075909826 780560054 /nfs/dbraw/zinc/56/00/54/780560054.db2.gz AGEGDARUZHFHPI-MAUKXSAKSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1OC ZINC001212022350 780590553 /nfs/dbraw/zinc/59/05/53/780590553.db2.gz MSDWXXPMJFUTEJ-MGPQQGTHSA-N 0 3 316.392 2.203 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)[C@H]1C ZINC001088620246 780650937 /nfs/dbraw/zinc/65/09/37/780650937.db2.gz BCEWOGFPZZBUHG-DOMZBBRYSA-N 0 3 311.385 2.319 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cn4cc(C)ccc4n3)[C@@H]2C1 ZINC001075944932 780821240 /nfs/dbraw/zinc/82/12/40/780821240.db2.gz VOYKOGGPALYTTM-DOTOQJQBSA-N 0 3 324.428 2.365 20 30 DEEDHN C=C(C)CCN1CC[C@@]2(NC(=O)c3cnns3)CCC[C@H]12 ZINC000989975733 780850168 /nfs/dbraw/zinc/85/01/68/780850168.db2.gz AYQFFGBAIWFORM-ZFWWWQNUSA-N 0 3 306.435 2.231 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3c2O[C@@H](C)C3)[C@H]1C ZINC001088755279 780944928 /nfs/dbraw/zinc/94/49/28/780944928.db2.gz OXRCDUJMFVCUHO-VBQJREDUSA-N 0 3 312.413 2.226 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccn4nccc34)[C@@H]2C1 ZINC001075988904 780956526 /nfs/dbraw/zinc/95/65/26/780956526.db2.gz JMBYUCKPBZKUAS-WMLDXEAASA-N 0 3 310.401 2.057 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn4cncc4c3)[C@@H]2C1 ZINC001075993248 780966779 /nfs/dbraw/zinc/96/67/79/780966779.db2.gz LEXTUTQNEZDKFK-DOTOQJQBSA-N 0 3 310.401 2.057 20 30 DEEDHN CC(C)Oc1ccccc1CNCCNC(=O)C#CC1CC1 ZINC001126899400 781050432 /nfs/dbraw/zinc/05/04/32/781050432.db2.gz PYVMGRRDEXBBQX-UHFFFAOYSA-N 0 3 300.402 2.093 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001073758492 790851280 /nfs/dbraw/zinc/85/12/80/790851280.db2.gz OBCWWIPZHCOSGP-GFCCVEGCSA-N 0 3 311.813 2.065 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(F)c3)[C@@H]2C1 ZINC001076277423 781188886 /nfs/dbraw/zinc/18/88/86/781188886.db2.gz OJRKULVXEXHOCY-WMLDXEAASA-N 0 3 300.377 2.304 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001076485396 781282239 /nfs/dbraw/zinc/28/22/39/781282239.db2.gz GJYOTCXMEJHVNR-HOTGVXAUSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001076502075 781288928 /nfs/dbraw/zinc/28/89/28/781288928.db2.gz QGPBZYCUBMRCNR-HRCADAONSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)sn2)[C@H](OC)C1 ZINC001212175250 781862134 /nfs/dbraw/zinc/86/21/34/781862134.db2.gz KWININOAEBRRFJ-KCPJHIHWSA-N 0 3 323.462 2.235 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2snnc2C(C)C)C[C@@H]1C ZINC000947841154 783244081 /nfs/dbraw/zinc/24/40/81/783244081.db2.gz IVFFUMTYTTZASR-RYUDHWBXSA-N 0 3 308.451 2.430 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnoc2C2CC2)C[C@H]1C ZINC000947887446 783259293 /nfs/dbraw/zinc/25/92/93/783259293.db2.gz WJELRZKARXFHMN-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001089624243 783288904 /nfs/dbraw/zinc/28/89/04/783288904.db2.gz YOUWTOJKEICLFE-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncnc2C(C)C)C[C@@H]1C ZINC000948048663 783303252 /nfs/dbraw/zinc/30/32/52/783303252.db2.gz SSDPUGDTVCQQLG-UONOGXRCSA-N 0 3 302.422 2.369 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC001089638229 783310076 /nfs/dbraw/zinc/31/00/76/783310076.db2.gz WHGWAWGWOZXOPP-AWEZNQCLSA-N 0 3 319.453 2.095 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2csc(COC)n2)C[C@H]1C ZINC000948087254 783316891 /nfs/dbraw/zinc/31/68/91/783316891.db2.gz YDOPRJFHTVZZNU-NEPJUHHUSA-N 0 3 309.435 2.058 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000948242490 783388667 /nfs/dbraw/zinc/38/86/67/783388667.db2.gz XFPXYAXSYGUVBX-LSDHHAIUSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cocn1 ZINC001089776521 783422172 /nfs/dbraw/zinc/42/21/72/783422172.db2.gz FSFXFHMSTHZWHB-XFMPKHEZSA-N 0 3 321.808 2.210 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCCN(CC#CC)CC1 ZINC000948385890 783448736 /nfs/dbraw/zinc/44/87/36/783448736.db2.gz QSCNMKYWECZGQB-KSZLIROESA-N 0 3 318.461 2.304 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC(C)C)C[C@H]1OC ZINC001212323327 783451158 /nfs/dbraw/zinc/45/11/58/783451158.db2.gz RWOFDBGXCFDQKR-CHWSQXEVSA-N 0 3 302.846 2.237 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC000948607946 783524985 /nfs/dbraw/zinc/52/49/85/783524985.db2.gz ILXNWXAFUOFOKL-MRXNPFEDSA-N 0 3 324.428 2.431 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nc(C)n1 ZINC001085363203 783653413 /nfs/dbraw/zinc/65/34/13/783653413.db2.gz PUDPEGRRKJTURD-ZIAGYGMSSA-N 0 3 322.840 2.477 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC001099974489 783668804 /nfs/dbraw/zinc/66/88/04/783668804.db2.gz RMZNMEKULBMUSR-CVEARBPZSA-N 0 3 322.474 2.198 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC)cn1 ZINC001085396060 783669056 /nfs/dbraw/zinc/66/90/56/783669056.db2.gz SGLPZNZZDPGOHB-CHWSQXEVSA-N 0 3 310.829 2.286 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC000966876085 783788959 /nfs/dbraw/zinc/78/89/59/783788959.db2.gz UXBBZCGYUJCHCA-XJKSGUPXSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC000966903350 783807131 /nfs/dbraw/zinc/80/71/31/783807131.db2.gz FJLUXDFFOSOJEM-HOCLYGCPSA-N 0 3 318.465 2.329 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC000966978540 783847634 /nfs/dbraw/zinc/84/76/34/783847634.db2.gz NSUVIXLZSWFSKV-XJKSGUPXSA-N 0 3 305.397 2.166 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000967055774 783870037 /nfs/dbraw/zinc/87/00/37/783870037.db2.gz CXWZGGTVGCFZMX-CXAGYDPISA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001085597339 783870520 /nfs/dbraw/zinc/87/05/20/783870520.db2.gz VZNJCXRHJVSOHO-MRXNPFEDSA-N 0 3 312.417 2.365 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OCC)nc1 ZINC001085625891 783909434 /nfs/dbraw/zinc/90/94/34/783909434.db2.gz BNAAVVYVPHXXKK-HNNXBMFYSA-N 0 3 303.406 2.203 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967231623 783909670 /nfs/dbraw/zinc/90/96/70/783909670.db2.gz RFGVHMLVFMWDIC-DYVFJYSZSA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000967254249 783911217 /nfs/dbraw/zinc/91/12/17/783911217.db2.gz AVPXJKPYPXNRDA-MRXNPFEDSA-N 0 3 321.380 2.268 20 30 DEEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1C[C@@H](CC)OC ZINC001085641346 783919868 /nfs/dbraw/zinc/91/98/68/783919868.db2.gz JQMDTJLIRMDUID-JKSUJKDBSA-N 0 3 319.449 2.245 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC000967273253 783922069 /nfs/dbraw/zinc/92/20/69/783922069.db2.gz KHJPODIQUOPCIC-HOTGVXAUSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967289556 783935104 /nfs/dbraw/zinc/93/51/04/783935104.db2.gz WUUWTZJHANJZDA-DOMZBBRYSA-N 0 3 318.417 2.273 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001085691584 783976410 /nfs/dbraw/zinc/97/64/10/783976410.db2.gz KWGRZLYUSZJJSL-ZDUSSCGKSA-N 0 3 304.438 2.430 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC000967398637 783980624 /nfs/dbraw/zinc/98/06/24/783980624.db2.gz ZHCKLNAETZKUBA-KDOFPFPSSA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC000967414804 783988644 /nfs/dbraw/zinc/98/86/44/783988644.db2.gz NHYGXASJVVOQBW-NVXWUHKLSA-N 0 3 318.465 2.409 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)nn1C ZINC001085719827 784003808 /nfs/dbraw/zinc/00/38/08/784003808.db2.gz FEDQAYXOAZSBJY-LLVKDONJSA-N 0 3 312.364 2.080 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2nn1 ZINC001085753511 784038553 /nfs/dbraw/zinc/03/85/53/784038553.db2.gz IGXTXNYWAAXEDE-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001085836214 784118945 /nfs/dbraw/zinc/11/89/45/784118945.db2.gz DUEOEGAQQZIJKE-AWEZNQCLSA-N 0 3 302.422 2.400 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085859909 784155478 /nfs/dbraw/zinc/15/54/78/784155478.db2.gz LPQRNQBEEYHVMO-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085878782 784171842 /nfs/dbraw/zinc/17/18/42/784171842.db2.gz MUECXHXQRMFKFS-HNNXBMFYSA-N 0 3 302.422 2.206 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000968321291 784286271 /nfs/dbraw/zinc/28/62/71/784286271.db2.gz ICIQGPVAQRSPPM-IUODEOHRSA-N 0 3 303.406 2.112 20 30 DEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2cccnc2C)C1 ZINC000968327321 784291387 /nfs/dbraw/zinc/29/13/87/784291387.db2.gz LWEYSKVOBRKNLP-YOEHRIQHSA-N 0 3 301.434 2.335 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1COc2ccccc21 ZINC001086000153 784301026 /nfs/dbraw/zinc/30/10/26/784301026.db2.gz CEUYVSXWKAFQKI-ZBFHGGJFSA-N 0 3 300.402 2.271 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC000968364893 784326457 /nfs/dbraw/zinc/32/64/57/784326457.db2.gz LBRBRTKPHZWPCN-PBHICJAKSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC000968369242 784331776 /nfs/dbraw/zinc/33/17/76/784331776.db2.gz HDPUTBWSBHPRHX-YPMHNXCESA-N 0 3 324.856 2.398 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)C=C3CCC3)C2)ccc1F ZINC000968376260 784338606 /nfs/dbraw/zinc/33/86/06/784338606.db2.gz NTZQWNHHXBWHQS-MRXNPFEDSA-N 0 3 313.376 2.498 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968391699 784349900 /nfs/dbraw/zinc/34/99/00/784349900.db2.gz TYSRCPHIGHPJJG-XJKSGUPXSA-N 0 3 304.459 2.449 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(OCC#C)cc2)C1 ZINC000968391729 784350320 /nfs/dbraw/zinc/35/03/20/784350320.db2.gz UQACJUPVGOXERL-LPHOPBHVSA-N 0 3 324.424 2.162 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001086080663 784391909 /nfs/dbraw/zinc/39/19/09/784391909.db2.gz OLMPRZXKCVXIOS-AEJSXWLSSA-N 0 3 323.181 2.035 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC000968498272 784426823 /nfs/dbraw/zinc/42/68/23/784426823.db2.gz YYRPJSCCXFAILN-GOEBONIOSA-N 0 3 316.449 2.007 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000968509156 784435536 /nfs/dbraw/zinc/43/55/36/784435536.db2.gz FWZJQKUTMHIVKP-DYVFJYSZSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1O ZINC000968758453 784575844 /nfs/dbraw/zinc/57/58/44/784575844.db2.gz MEVPWXOJKQTTKG-OAHLLOKOSA-N 0 3 300.402 2.390 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)C2=CCCC2)C1 ZINC001086340797 784601449 /nfs/dbraw/zinc/60/14/49/784601449.db2.gz KZWACVUFEASRLS-AULYBMBSSA-N 0 3 313.239 2.490 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000968857145 784621200 /nfs/dbraw/zinc/62/12/00/784621200.db2.gz UPYRCZRUMHNJDT-GJZGRUSLSA-N 0 3 316.449 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001086365728 784624096 /nfs/dbraw/zinc/62/40/96/784624096.db2.gz AHIXZYHOUBEDCM-AVGNSLFASA-N 0 3 322.840 2.067 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC000968877240 784631948 /nfs/dbraw/zinc/63/19/48/784631948.db2.gz QQDWAKAGHGJUDB-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001086382548 784633808 /nfs/dbraw/zinc/63/38/08/784633808.db2.gz MHVKXJBMMNIKRP-AULYBMBSSA-N 0 3 322.840 2.148 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC000968904239 784644436 /nfs/dbraw/zinc/64/44/36/784644436.db2.gz BWYHPOALLVCIFY-INIZCTEOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC000968907081 784646063 /nfs/dbraw/zinc/64/60/63/784646063.db2.gz NJNWPZJIDHGSTB-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC000968907081 784646067 /nfs/dbraw/zinc/64/60/67/784646067.db2.gz NJNWPZJIDHGSTB-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC000968957466 784668706 /nfs/dbraw/zinc/66/87/06/784668706.db2.gz IZTODTMFDQMYJI-BZUAXINKSA-N 0 3 316.449 2.070 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC001086406476 784682495 /nfs/dbraw/zinc/68/24/95/784682495.db2.gz IYOAGXUSPSNXJF-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnn(C)c2CCC)C1 ZINC001086416846 784699840 /nfs/dbraw/zinc/69/98/40/784699840.db2.gz JWMVCWRNQZUKEU-JOCQHMNTSA-N 0 3 324.856 2.223 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC000969062963 784711259 /nfs/dbraw/zinc/71/12/59/784711259.db2.gz VSBSASJPLPRQKM-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC000969091201 784722271 /nfs/dbraw/zinc/72/22/71/784722271.db2.gz YUHCSSMTNVPXDX-HNNXBMFYSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001086461915 784753448 /nfs/dbraw/zinc/75/34/48/784753448.db2.gz FNKWFUHHHHZMGG-KBUPBQIOSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001007319860 784885944 /nfs/dbraw/zinc/88/59/44/784885944.db2.gz NDUPCTAHUQMFLW-AWEZNQCLSA-N 0 3 304.438 2.314 20 30 DEEDHN C[C@@H]1C[C@H](NC(=N)c2ccc(F)cn2)CN1C(=O)OC(C)(C)C ZINC001168810467 784925648 /nfs/dbraw/zinc/92/56/48/784925648.db2.gz GTMPBHGNGZDMPC-PWSUYJOCSA-N 0 3 322.384 2.324 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001008275930 785159644 /nfs/dbraw/zinc/15/96/44/785159644.db2.gz MLXJRRVACTZWKD-HNNXBMFYSA-N 0 3 317.433 2.103 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001008279200 785160795 /nfs/dbraw/zinc/16/07/95/785160795.db2.gz QQYIFNUIKUOTHA-SJORKVTESA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(F)c(COC)c2)C1 ZINC001008461321 785210537 /nfs/dbraw/zinc/21/05/37/785210537.db2.gz WQRDWOISAKEJAI-MRXNPFEDSA-N 0 3 318.392 2.190 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2-n2cccn2)C1 ZINC001008655871 785262674 /nfs/dbraw/zinc/26/26/74/785262674.db2.gz BLGXEKJAWACQGB-INIZCTEOSA-N 0 3 322.412 2.090 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001008766979 785298432 /nfs/dbraw/zinc/29/84/32/785298432.db2.gz JITWSPGOIOJNOA-CQSZACIVSA-N 0 3 323.396 2.158 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001008907161 785329476 /nfs/dbraw/zinc/32/94/76/785329476.db2.gz AABXEQOKCNNXRF-QGZVFWFLSA-N 0 3 307.397 2.452 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001009217041 785407592 /nfs/dbraw/zinc/40/75/92/785407592.db2.gz UMJMTTVLAYMHKW-GFCCVEGCSA-N 0 3 310.829 2.020 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001009308824 785426446 /nfs/dbraw/zinc/42/64/46/785426446.db2.gz PYVKSZQDNDVFRN-INIZCTEOSA-N 0 3 309.413 2.314 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001009403721 785448963 /nfs/dbraw/zinc/44/89/63/785448963.db2.gz USGNHAGOOZKNEQ-MRXNPFEDSA-N 0 3 302.418 2.394 20 30 DEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001009649115 785499621 /nfs/dbraw/zinc/49/96/21/785499621.db2.gz IXEVBHNSNVLQFK-CYBMUJFWSA-N 0 3 321.446 2.007 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001108872572 785595584 /nfs/dbraw/zinc/59/55/84/785595584.db2.gz APJSZXULMYQYAE-IKGGRYGDSA-N 0 3 306.450 2.491 20 30 DEEDHN CC/C=C\CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108951925 785641641 /nfs/dbraw/zinc/64/16/41/785641641.db2.gz KUAUIDNYYSDQPO-RTWRKKLBSA-N 0 3 307.463 2.321 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)SC)C2 ZINC001109167983 785730316 /nfs/dbraw/zinc/73/03/16/785730316.db2.gz MUHZGGPKJIONHI-XGUBFFRZSA-N 0 3 312.479 2.052 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@H](C)O ZINC001109771434 786022702 /nfs/dbraw/zinc/02/27/02/786022702.db2.gz ZXYYXGIIGOWNBS-FZKCQIBNSA-N 0 3 308.466 2.471 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OC1CCCC1)C2 ZINC001109780148 786057549 /nfs/dbraw/zinc/05/75/49/786057549.db2.gz JGZXKWHTLXFWEB-LAVFITLUSA-N 0 3 318.461 2.469 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(F)(F)F)C2 ZINC001110013349 786128842 /nfs/dbraw/zinc/12/88/42/786128842.db2.gz FHQWBTCHDGAGJJ-WOPDTQHZSA-N 0 3 302.340 2.320 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2coc3ccc(C)cc23)C1 ZINC001014593044 786652802 /nfs/dbraw/zinc/65/28/02/786652802.db2.gz GCHCFRFUYSJYCX-INIZCTEOSA-N 0 3 310.397 2.498 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccc(C)c1)C2 ZINC001110094866 786758385 /nfs/dbraw/zinc/75/83/85/786758385.db2.gz ZIYVSTCMDJSBMO-NJAFHUGGSA-N 0 3 312.413 2.119 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001014946269 786818360 /nfs/dbraw/zinc/81/83/60/786818360.db2.gz KSXJMZNVSSPGAI-MGPQQGTHSA-N 0 3 314.351 2.345 20 30 DEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3sc(C)nc3C)C[C@H]21 ZINC001114006112 787045217 /nfs/dbraw/zinc/04/52/17/787045217.db2.gz WMZSAOJFJHIUMN-VIKVFOODSA-N 0 3 305.447 2.273 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)c2nsc3ccc(C)cc32)C1 ZINC001015507327 787085789 /nfs/dbraw/zinc/08/57/89/787085789.db2.gz BNLRPCFPCAKUNP-CYBMUJFWSA-N 0 3 313.426 2.432 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001015675682 787180207 /nfs/dbraw/zinc/18/02/07/787180207.db2.gz CIGAAOJAFHBFQB-CABCVRRESA-N 0 3 306.450 2.348 20 30 DEEDHN CCCCCCC[NH2+]CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001130024655 787277006 /nfs/dbraw/zinc/27/70/06/787277006.db2.gz PNQDCMIRJVZNPK-UHFFFAOYSA-N 0 3 320.437 2.349 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCSCC)C1 ZINC001130352689 787359336 /nfs/dbraw/zinc/35/93/36/787359336.db2.gz WRZONOKZZOFSCH-CYBMUJFWSA-N 0 3 322.478 2.144 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cnn(C)c1Cl ZINC001158135885 787485448 /nfs/dbraw/zinc/48/54/48/787485448.db2.gz NNXKZUDNMIXPNE-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN CCOC(=O)C1=C(Nc2ccc3nc(C#N)ccc3c2)CCNC1 ZINC001170521467 787497760 /nfs/dbraw/zinc/49/77/60/787497760.db2.gz VXDXNCRLACOIOH-UHFFFAOYSA-N 0 3 322.368 2.329 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H](NC/C=C/Cl)C1 ZINC001130935752 787504143 /nfs/dbraw/zinc/50/41/43/787504143.db2.gz JUFHDKWJRBBFPF-VTGPQGOBSA-N 0 3 322.840 2.023 20 30 DEEDHN CCc1cncc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001131374684 787608103 /nfs/dbraw/zinc/60/81/03/787608103.db2.gz IEOIYIDNXWOTEI-UHFFFAOYSA-N 0 3 308.385 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCCOC)C[C@H](C)O2 ZINC001131641135 787669199 /nfs/dbraw/zinc/66/91/99/787669199.db2.gz ALTXRQHCFGAZKY-FUHWJXTLSA-N 0 3 324.465 2.071 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@]2(CCN(CCCF)C2)O1 ZINC001131657017 787679025 /nfs/dbraw/zinc/67/90/25/787679025.db2.gz CQEMIWMJBJMUHW-MAUKXSAKSA-N 0 3 324.440 2.087 20 30 DEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)noc1CC)C2 ZINC001096522388 787709075 /nfs/dbraw/zinc/70/90/75/787709075.db2.gz GVKNOCZICVWWMS-RDBSUJKOSA-N 0 3 303.406 2.457 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ncccc13)C2 ZINC001096563360 787729109 /nfs/dbraw/zinc/72/91/09/787729109.db2.gz CBRRNSDLHCZFDM-KCXAZCMYSA-N 0 3 310.401 2.474 20 30 DEEDHN C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1CCCCCF ZINC001131828970 787763943 /nfs/dbraw/zinc/76/39/43/787763943.db2.gz BFRLZUSXDOCKCO-KBPBESRZSA-N 0 3 315.458 2.352 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001086675289 787790257 /nfs/dbraw/zinc/79/02/57/787790257.db2.gz XJTVVHRICAHKMU-QWHCGFSZSA-N 0 3 308.813 2.026 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccc(C)c3O1)C2 ZINC001096692596 787794961 /nfs/dbraw/zinc/79/49/61/787794961.db2.gz LDXQIFUEBUXUCB-VSZNYVQBSA-N 0 3 324.424 2.043 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(C)nn(CCC)c1C ZINC001170589857 787832158 /nfs/dbraw/zinc/83/21/58/787832158.db2.gz ZXHOHIPHJZBPNI-UHFFFAOYSA-N 0 3 312.845 2.372 20 30 DEEDHN CC(C)c1cc(C(=O)NCCNCc2cccc(C#N)c2)no1 ZINC001131986552 787862525 /nfs/dbraw/zinc/86/25/25/787862525.db2.gz YXPSEKGXXRQGTA-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCc2cnn(C)c2)C1 ZINC001132072836 787917100 /nfs/dbraw/zinc/91/71/00/787917100.db2.gz PRCMZGOLIQYMPW-WBVHZDCISA-N 0 3 318.465 2.288 20 30 DEEDHN C=C(Cl)CN1C[C@H](NC(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132107079 787934859 /nfs/dbraw/zinc/93/48/59/787934859.db2.gz XNFSWJSSKFLVIC-UONOGXRCSA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132214419 787969184 /nfs/dbraw/zinc/96/91/84/787969184.db2.gz HMLQGKFFIILOTA-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1[C@H](C)CC)C2 ZINC001097159942 787998784 /nfs/dbraw/zinc/99/87/84/787998784.db2.gz CSESJZRVZDWYSH-FPCVCCKLSA-N 0 3 314.433 2.213 20 30 DEEDHN C#CCCCCCC(=O)NCCNC[C@H](O)c1ccccc1F ZINC001132407632 788061583 /nfs/dbraw/zinc/06/15/83/788061583.db2.gz JVRWIVDLDVNLKW-KRWDZBQOSA-N 0 3 320.408 2.149 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)C2 ZINC001097409380 788089742 /nfs/dbraw/zinc/08/97/42/788089742.db2.gz LXSIZFDCNMTORZ-NFAWXSAZSA-N 0 3 314.433 2.066 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001086684788 788095013 /nfs/dbraw/zinc/09/50/13/788095013.db2.gz GPPOTNXDQDDEGW-SOUVJXGZSA-N 0 3 314.857 2.430 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CNC(=O)C(CC)CC)CC[C@H]1C ZINC001132546170 788121291 /nfs/dbraw/zinc/12/12/91/788121291.db2.gz JBCLBYQOLAFDJK-ZBFHGGJFSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc(Cl)cn1)C2 ZINC001111451932 788139413 /nfs/dbraw/zinc/13/94/13/788139413.db2.gz BEWCFLFVTHTPSK-KFWWJZLASA-N 0 3 322.840 2.224 20 30 DEEDHN CCC[C@@H](OCC)C(=O)NCCNCc1ccc(C#N)s1 ZINC001132625488 788149413 /nfs/dbraw/zinc/14/94/13/788149413.db2.gz AVSDMDMUVULPDG-CQSZACIVSA-N 0 3 309.435 2.031 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc2nonc2c1 ZINC001132653947 788152442 /nfs/dbraw/zinc/15/24/42/788152442.db2.gz VPGMEJCRKICIDS-LBPRGKRZSA-N 0 3 302.378 2.031 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc2nonc2c1 ZINC001132653946 788152701 /nfs/dbraw/zinc/15/27/01/788152701.db2.gz VPGMEJCRKICIDS-GFCCVEGCSA-N 0 3 302.378 2.031 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCC(=O)N(C)C1CCCCC1 ZINC001132663435 788159004 /nfs/dbraw/zinc/15/90/04/788159004.db2.gz XBVPHCDPUOHAFC-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCCNCc1cccc(NC(C)=O)c1 ZINC001132667474 788160138 /nfs/dbraw/zinc/16/01/38/788160138.db2.gz MGURJTIIPALXJC-HNNXBMFYSA-N 0 3 317.433 2.453 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2cnns2)C1 ZINC001132700171 788172290 /nfs/dbraw/zinc/17/22/90/788172290.db2.gz DDDFXSAOKHXWTI-OLZOCXBDSA-N 0 3 308.451 2.079 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](C)[C@H](CNCc2cc(OC)no2)C1 ZINC001132700656 788173481 /nfs/dbraw/zinc/17/34/81/788173481.db2.gz LCRGMCKQSMUCJZ-UONOGXRCSA-N 0 3 321.421 2.224 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2cnc(C)o2)C1 ZINC001132785973 788191473 /nfs/dbraw/zinc/19/14/73/788191473.db2.gz MMGGGCRSVNXDQG-ZBFHGGJFSA-N 0 3 317.433 2.361 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@H](CNCc2nnc(C)[nH]2)C1 ZINC001132865880 788213856 /nfs/dbraw/zinc/21/38/56/788213856.db2.gz TXNWGINCNMSERO-DZGCQCFKSA-N 0 3 319.453 2.044 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNCc2cnns2)C1 ZINC001133073380 788268032 /nfs/dbraw/zinc/26/80/32/788268032.db2.gz UGFWRDSGIKJOPK-ZIAGYGMSSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCCCC(=O)NCCN[C@H](C)C(=O)N(C)C1CCCCC1 ZINC001133145150 788300208 /nfs/dbraw/zinc/30/02/08/788300208.db2.gz RFWAOMBWIACNIA-OAHLLOKOSA-N 0 3 323.481 2.228 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CC(NCc2ccccc2Cl)C1 ZINC001100191357 788309667 /nfs/dbraw/zinc/30/96/67/788309667.db2.gz HZSYBDHPJAMNEY-DCBWTQNWSA-N 0 3 305.809 2.484 20 30 DEEDHN C=CCCC1(C(=O)NCCNCc2ccnc(N(C)C)c2)CC1 ZINC001133375813 788389945 /nfs/dbraw/zinc/38/99/45/788389945.db2.gz JQOFQCNHBBLVJN-UHFFFAOYSA-N 0 3 316.449 2.100 20 30 DEEDHN C=CCCC1(C(=O)NCCN[C@H](C)C(=O)NC(CC)CC)CC1 ZINC001133378629 788391399 /nfs/dbraw/zinc/39/13/99/788391399.db2.gz IXQQEZHYFREKOX-CQSZACIVSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC001133383629 788396040 /nfs/dbraw/zinc/39/60/40/788396040.db2.gz VHUOLRVCWDPVTG-KSSFIOAISA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001133383746 788396961 /nfs/dbraw/zinc/39/69/61/788396961.db2.gz XLSGPIUTTSNGFL-YJBOKZPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C#Cc1cncc(C(=O)NCCNCc2ccc(C)c(F)c2)c1 ZINC001133597396 788515341 /nfs/dbraw/zinc/51/53/41/788515341.db2.gz QJGGSNFAPFWBKC-UHFFFAOYSA-N 0 3 311.360 2.030 20 30 DEEDHN CSCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133646078 788535287 /nfs/dbraw/zinc/53/52/87/788535287.db2.gz YCWBXPFDPALFIJ-OLZOCXBDSA-N 0 3 305.447 2.294 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CCOCC ZINC001133900370 788670860 /nfs/dbraw/zinc/67/08/60/788670860.db2.gz IALOPJLFYRYDHN-NEPJUHHUSA-N 0 3 321.259 2.195 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001134118476 788769610 /nfs/dbraw/zinc/76/96/10/788769610.db2.gz CJOFPFHBXDZNMX-HUUCEWRRSA-N 0 3 318.465 2.295 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134342112 788867590 /nfs/dbraw/zinc/86/75/90/788867590.db2.gz YWHCQASFHMIHDA-CHWSQXEVSA-N 0 3 315.255 2.427 20 30 DEEDHN CCc1nocc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134341985 788867872 /nfs/dbraw/zinc/86/78/72/788867872.db2.gz XETIVEQTCBEWCI-KGLIPLIRSA-N 0 3 305.422 2.269 20 30 DEEDHN Cc1csc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001134341640 788868184 /nfs/dbraw/zinc/86/81/84/788868184.db2.gz RCRRCJGCNRRNIJ-CHWSQXEVSA-N 0 3 307.463 2.484 20 30 DEEDHN CCc1nc(C)c(CN[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001134322754 788869387 /nfs/dbraw/zinc/86/93/87/788869387.db2.gz WAFPCRHPUGXBDR-CHWSQXEVSA-N 0 3 317.433 2.332 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cncc(OC)n1 ZINC001134476180 788952052 /nfs/dbraw/zinc/95/20/52/788952052.db2.gz ODOKFRQCIXZJDP-ZIAGYGMSSA-N 0 3 320.437 2.214 20 30 DEEDHN CC(C)c1cc(C(=O)NCCNCc2ccc(C#N)cc2)on1 ZINC001134754593 789074877 /nfs/dbraw/zinc/07/48/77/789074877.db2.gz VRAFJEGWSTYGDB-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001134881270 789121750 /nfs/dbraw/zinc/12/17/50/789121750.db2.gz VUJMYENRJRVCFS-VHSXEESVSA-N 0 3 308.813 2.060 20 30 DEEDHN COCC#CCNCCNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001134916834 789130823 /nfs/dbraw/zinc/13/08/23/789130823.db2.gz FHOIYFXYHSLEFQ-SFHVURJKSA-N 0 3 316.445 2.172 20 30 DEEDHN CC#CCNCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001135099488 789198176 /nfs/dbraw/zinc/19/81/76/789198176.db2.gz WOCGDDVPSVNLHQ-MSOLQXFVSA-N 0 3 314.429 2.192 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCc1csc(C)c1 ZINC001135142353 789214537 /nfs/dbraw/zinc/21/45/37/789214537.db2.gz QMMOCSJHFFVOOG-GJZGRUSLSA-N 0 3 308.447 2.244 20 30 DEEDHN C=CC1(CC(=O)NCCNCc2cn(C)nc2C)CCCCC1 ZINC001135190337 789229312 /nfs/dbraw/zinc/22/93/12/789229312.db2.gz BFBHPCBJYVUSRS-UHFFFAOYSA-N 0 3 318.465 2.461 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001135236961 789254831 /nfs/dbraw/zinc/25/48/31/789254831.db2.gz ZQJJFYKDSYHFAB-OLZOCXBDSA-N 0 3 306.454 2.314 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccc(OC)nn1 ZINC001135229984 789258707 /nfs/dbraw/zinc/25/87/07/789258707.db2.gz HLGPIWVZBMULGL-CHWSQXEVSA-N 0 3 320.437 2.070 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2nccn2C)C1 ZINC001135420004 789342923 /nfs/dbraw/zinc/34/29/23/789342923.db2.gz RWWYPLMUIPAYQH-KGLIPLIRSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1cn(C)cn1 ZINC001070557189 789376197 /nfs/dbraw/zinc/37/61/97/789376197.db2.gz DLBABWMAGNSKLG-FUHWJXTLSA-N 0 3 324.428 2.112 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001071051889 789507636 /nfs/dbraw/zinc/50/76/36/789507636.db2.gz UMZJMVIEOGOTBB-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cscn1)C[C@@H](C)O2 ZINC001071141307 789554082 /nfs/dbraw/zinc/55/40/82/789554082.db2.gz IWCJPLNSLKHKOC-CZUORRHYSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cncs1)C[C@@H](C)O2 ZINC001071144779 789557783 /nfs/dbraw/zinc/55/77/83/789557783.db2.gz URWPTPKUECENLR-CZUORRHYSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cc1ccoc1)C[C@@H](C)O2 ZINC001071159727 789565396 /nfs/dbraw/zinc/56/53/96/789565396.db2.gz QLEFCZJEUQCUMZ-QAPCUYQASA-N 0 3 318.417 2.090 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)[C@H](C)C2CC2)C1 ZINC001100224738 789576358 /nfs/dbraw/zinc/57/63/58/789576358.db2.gz YIVPPGBIBRCTAF-XSRFYTQQSA-N 0 3 315.255 2.426 20 30 DEEDHN CC[C@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001136086630 789620133 /nfs/dbraw/zinc/62/01/33/789620133.db2.gz BEMDSNFXPZNUOV-RHSMWYFYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccn(CC)n2)C1 ZINC001086820204 789644846 /nfs/dbraw/zinc/64/48/46/789644846.db2.gz UEASZANLKLLKKS-QWHCGFSZSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cncc3[nH]cnc32)CC[C@@H]1C ZINC001071527401 789761941 /nfs/dbraw/zinc/76/19/41/789761941.db2.gz CLYHVNYCUFJFPW-QWHCGFSZSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c(F)cccc2OC)CC[C@H]1C ZINC001071528212 789762037 /nfs/dbraw/zinc/76/20/37/789762037.db2.gz QHKRIRHPVQJWCB-KGLIPLIRSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C(F)F)n2)CC[C@@H]1C ZINC001071540893 789768579 /nfs/dbraw/zinc/76/85/79/789768579.db2.gz XQLODGKQYDFUMY-WCQYABFASA-N 0 3 324.375 2.193 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)c2ccc3cncn3c2C)CC[C@H]1C ZINC001071629280 789827596 /nfs/dbraw/zinc/82/75/96/789827596.db2.gz XLSWBWFXIQBIQA-ZBFHGGJFSA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(COC)c2)CC[C@H]1C ZINC001071659979 789845567 /nfs/dbraw/zinc/84/55/67/789845567.db2.gz NONNBBPWBNNCNH-CRAIPNDOSA-N 0 3 314.429 2.439 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nc(C)n3ccccc23)CC[C@H]1C ZINC001071685519 789864323 /nfs/dbraw/zinc/86/43/23/789864323.db2.gz CVULQFXDOKCKOU-GDBMZVCRSA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)CC[C@@H]1C ZINC001071765634 789909678 /nfs/dbraw/zinc/90/96/78/789909678.db2.gz IHGZFAJWCRGGJS-LSDHHAIUSA-N 0 3 317.433 2.102 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(CC)cn2)CC[C@H]1C ZINC001071827964 789933201 /nfs/dbraw/zinc/93/32/01/789933201.db2.gz HBYZMOCMMWPLQZ-RHSMWYFYSA-N 0 3 301.434 2.342 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@@H]1C ZINC001071839447 789938262 /nfs/dbraw/zinc/93/82/62/789938262.db2.gz DPMAIDDMUIJGDR-GXTWGEPZSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccncc2Cl)CC[C@H]1C ZINC001071844931 789940358 /nfs/dbraw/zinc/94/03/58/789940358.db2.gz VGTYDWXERZHIJZ-CHWSQXEVSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2csc3cncn32)CC[C@H]1C ZINC001071858083 789946158 /nfs/dbraw/zinc/94/61/58/789946158.db2.gz NRZIJPQAWSDZSH-CHWSQXEVSA-N 0 3 316.430 2.002 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc3nccnc32)CC[C@H]1C ZINC001071935299 789978930 /nfs/dbraw/zinc/97/89/30/789978930.db2.gz ZZENJAOSBMFBEB-CABCVRRESA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C(F)F)c2)CC[C@H]1C ZINC001071938918 789979636 /nfs/dbraw/zinc/97/96/36/789979636.db2.gz PLUZIYTUWYTJON-YPMHNXCESA-N 0 3 312.364 2.437 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c3ccccc3nn2C)CC[C@@H]1C ZINC001071964466 789991063 /nfs/dbraw/zinc/99/10/63/789991063.db2.gz NJRSHTIQPBUYSQ-GJZGRUSLSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)CC[C@H]1C ZINC001071982810 789997465 /nfs/dbraw/zinc/99/74/65/789997465.db2.gz QZRXWAVTNFLEHQ-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)CC[C@@H]1C ZINC001072065896 790038642 /nfs/dbraw/zinc/03/86/42/790038642.db2.gz HKSRBRUUHDQPAH-JSGCOSHPSA-N 0 3 313.405 2.117 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)c4ccoc4)C3)C2)cc1 ZINC001072467060 790151200 /nfs/dbraw/zinc/15/12/00/790151200.db2.gz YALJNEZMJAFGLX-UHFFFAOYSA-N 0 3 321.380 2.499 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3sc(Cl)nc3C)C2)C1 ZINC001072780626 790245468 /nfs/dbraw/zinc/24/54/68/790245468.db2.gz ORVFECOCALDDBM-UHFFFAOYSA-N 0 3 311.838 2.439 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3-c3cn[nH]c3)C2)C1 ZINC001072803228 790251497 /nfs/dbraw/zinc/25/14/97/790251497.db2.gz IIZWWPGGTUVXBK-UHFFFAOYSA-N 0 3 322.412 2.411 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]3C(F)F)C2)C1 ZINC001072811986 790256288 /nfs/dbraw/zinc/25/62/88/790256288.db2.gz NVQBQDVTJLJVMO-UONOGXRCSA-N 0 3 310.388 2.225 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)C[C@]2(C)C1 ZINC001091496530 791202510 /nfs/dbraw/zinc/20/25/10/791202510.db2.gz LDIITHZELHRYQI-WBMJQRKESA-N 0 3 322.840 2.119 20 30 DEEDHN CC1(CCC(=O)NCCNCc2ccc(C#N)c(F)c2)CC1 ZINC001146464561 791286930 /nfs/dbraw/zinc/28/69/30/791286930.db2.gz LSPFWTDIGGGFDV-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NC(=O)CN(C)CCC)C[C@@H]1C ZINC001075091130 791456534 /nfs/dbraw/zinc/45/65/34/791456534.db2.gz PTBHZYIKWCUYGT-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001075097145 791460533 /nfs/dbraw/zinc/46/05/33/791460533.db2.gz LTOKSTZFMNRZID-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCC#N)C1 ZINC001086848939 791567548 /nfs/dbraw/zinc/56/75/48/791567548.db2.gz OHPDDWQMSIWREC-BBWFWOEESA-N 0 3 320.481 2.039 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C3(CCOCC)CCC3)C2)C1 ZINC001147576566 791574958 /nfs/dbraw/zinc/57/49/58/791574958.db2.gz CHYWLIQFVOWHIL-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN[C@H](C)c2cccc(F)c2)nc1 ZINC001148376135 791742233 /nfs/dbraw/zinc/74/22/33/791742233.db2.gz BSEKQSBMPMLKOO-CYBMUJFWSA-N 0 3 311.360 2.283 20 30 DEEDHN COc1ccccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001148738579 791795157 /nfs/dbraw/zinc/79/51/57/791795157.db2.gz UZCSOPOFYAPKPA-UHFFFAOYSA-N 0 3 309.369 2.086 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CCOc3ccccc3)C2)C1 ZINC001148755011 791800104 /nfs/dbraw/zinc/80/01/04/791800104.db2.gz NILYCHZSDAGQNE-UHFFFAOYSA-N 0 3 312.413 2.013 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001086865476 791834161 /nfs/dbraw/zinc/83/41/61/791834161.db2.gz UUHLFBSADLHPKE-NWDGAFQWSA-N 0 3 310.829 2.213 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C(C)=C2CCCC2)C1 ZINC001149515194 791840463 /nfs/dbraw/zinc/84/04/63/791840463.db2.gz UBVUIPHJZUHTAK-QGZVFWFLSA-N 0 3 304.434 2.107 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](OC)C3CC3)C2)CC1 ZINC001086919937 791851290 /nfs/dbraw/zinc/85/12/90/791851290.db2.gz BUVJTAWNSNVLFX-WBVHZDCISA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](OC)C3CC3)C2)CC1 ZINC001086919934 791851456 /nfs/dbraw/zinc/85/14/56/791851456.db2.gz BUVJTAWNSNVLFX-DOTOQJQBSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccns3)C2)CC1 ZINC001086924892 791853958 /nfs/dbraw/zinc/85/39/58/791853958.db2.gz FGLPXHCPBCEWRH-CQSZACIVSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@]2(C)C1 ZINC001091964001 791906891 /nfs/dbraw/zinc/90/68/91/791906891.db2.gz DYGGCSQMKPZGJD-APWZRJJASA-N 0 3 307.397 2.195 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)C[C@]2(C)C1 ZINC001091992740 791914123 /nfs/dbraw/zinc/91/41/23/791914123.db2.gz DZCBJAVWQSXAKX-ZAWLATJESA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C[C@]2(C)C1 ZINC001092036189 791918685 /nfs/dbraw/zinc/91/86/85/791918685.db2.gz VJCOMRBUVOLJHG-NNFUDEMPSA-N 0 3 312.413 2.187 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(OCC)c3)C[C@]2(C)C1 ZINC001092050521 791924826 /nfs/dbraw/zinc/92/48/26/791924826.db2.gz WDRDAUNPXFSIMX-APWZRJJASA-N 0 3 312.413 2.112 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4ccccc4n3)C[C@]2(C)C1 ZINC001092222706 791950001 /nfs/dbraw/zinc/95/00/01/791950001.db2.gz YQAROTKEAYLNMK-UZLBHIALSA-N 0 3 319.408 2.262 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cc(C)[nH]n1 ZINC001099017081 792039281 /nfs/dbraw/zinc/03/92/81/792039281.db2.gz OOOHMJVVUJJAOR-HNNXBMFYSA-N 0 3 304.438 2.053 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC001099017081 792039289 /nfs/dbraw/zinc/03/92/89/792039289.db2.gz OOOHMJVVUJJAOR-HNNXBMFYSA-N 0 3 304.438 2.053 20 30 DEEDHN C[C@@H](O)CN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001099069681 792074628 /nfs/dbraw/zinc/07/46/28/792074628.db2.gz LAERFBLRCOAPOQ-HUUCEWRRSA-N 0 3 308.466 2.024 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OCC)C1CC1 ZINC001099079767 792079244 /nfs/dbraw/zinc/07/92/44/792079244.db2.gz IYMIIQYJNOPMHH-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(COCC)CC1 ZINC001099131107 792108245 /nfs/dbraw/zinc/10/82/45/792108245.db2.gz XYBJNWBZYJPWQQ-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN CN(CC(=O)NC[C@H]1CCC(C)(C)CN1CC#N)CC(C)(C)C ZINC001099239126 792147715 /nfs/dbraw/zinc/14/77/15/792147715.db2.gz AHZGWGVQYGJUHL-OAHLLOKOSA-N 0 3 322.497 2.095 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C(F)(F)F ZINC001099255459 792153640 /nfs/dbraw/zinc/15/36/40/792153640.db2.gz AKIGMFOQSLTYQN-VXGBXAGGSA-N 0 3 301.312 2.183 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001099357974 792182522 /nfs/dbraw/zinc/18/25/22/792182522.db2.gz CZDTXYDWKNNLII-OAHLLOKOSA-N 0 3 304.438 2.066 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(CCCc2ccsc2)C[C@H]1O ZINC001099727599 792331519 /nfs/dbraw/zinc/33/15/19/792331519.db2.gz QZGSXXSJPDMBJV-HZPDHXFCSA-N 0 3 322.474 2.198 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099849855 792381787 /nfs/dbraw/zinc/38/17/87/792381787.db2.gz KBBCDBJRBHUACS-SJORKVTESA-N 0 3 316.445 2.340 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2cccc(C)c2)[C@H](O)C1 ZINC001099935558 792409480 /nfs/dbraw/zinc/40/94/80/792409480.db2.gz QCXFMVDXZNWKBP-ZWKOTPCHSA-N 0 3 316.445 2.055 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001100165186 792494090 /nfs/dbraw/zinc/49/40/90/792494090.db2.gz KHPNDHOLPZBDRO-IYXRBSQSSA-N 0 3 302.846 2.429 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)C1=COCCC1 ZINC001100169092 792496616 /nfs/dbraw/zinc/49/66/16/792496616.db2.gz FFZGCCSEMNZJOO-UHFFFAOYSA-N 0 3 324.424 2.217 20 30 DEEDHN Cn1ccc(C(=O)NCC2CC(NCC#Cc3ccccc3)C2)c1 ZINC001100241520 792537703 /nfs/dbraw/zinc/53/77/03/792537703.db2.gz WVWXUIGMEJVEOH-UHFFFAOYSA-N 0 3 321.424 2.175 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001094015273 792705895 /nfs/dbraw/zinc/70/58/95/792705895.db2.gz BHGZUPVMYUEPLJ-IIDMSEBBSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C1CC(C)(C(=O)NCC2CC(NCc3nccnc3C)C2)C1 ZINC001100662319 792774290 /nfs/dbraw/zinc/77/42/90/792774290.db2.gz RCDDKTDRXHGWOR-UHFFFAOYSA-N 0 3 314.433 2.126 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001100842636 792879368 /nfs/dbraw/zinc/87/93/68/792879368.db2.gz GOOYSTPODHIJRZ-IYXRBSQSSA-N 0 3 310.829 2.071 20 30 DEEDHN C=CCN1CC[C@H](Oc2ccnc(CNC(=O)C=C(C)C)c2)C1 ZINC001101088094 793009970 /nfs/dbraw/zinc/00/99/70/793009970.db2.gz AXLAKCXWJFHYRV-KRWDZBQOSA-N 0 3 315.417 2.303 20 30 DEEDHN N#Cc1ccccc1CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC1)C2 ZINC001094832910 793150988 /nfs/dbraw/zinc/15/09/88/793150988.db2.gz IJAIDJZMVPRAII-VHSSKADRSA-N 0 3 309.413 2.437 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(CC#C)CCCCC3)C[C@]2(C)C1 ZINC001101482858 793177997 /nfs/dbraw/zinc/17/79/97/793177997.db2.gz NGGUARKDOWNOQK-MJGOQNOKSA-N 0 3 312.457 2.374 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@H](NC(=O)C1CC1)c1nccn12 ZINC001101599648 793262830 /nfs/dbraw/zinc/26/28/30/793262830.db2.gz RXEOVAYWMNMGPM-ZFWWWQNUSA-N 0 3 314.433 2.220 20 30 DEEDHN CC(C)[C@@H](C(=O)N(C)CCNc1cccc(F)c1C#N)N(C)C ZINC001101711596 793333856 /nfs/dbraw/zinc/33/38/56/793333856.db2.gz JDUOXUVXJLDCQL-INIZCTEOSA-N 0 3 320.412 2.154 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)CC(C)(C)C2CC2)[C@H](C)C1 ZINC001101944527 793452641 /nfs/dbraw/zinc/45/26/41/793452641.db2.gz XNWYEEZYONPYFX-HZPDHXFCSA-N 0 3 320.477 2.147 20 30 DEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001101996887 793472942 /nfs/dbraw/zinc/47/29/42/793472942.db2.gz NHSZHUZRBLAYPI-SJLPKXTDSA-N 0 3 318.461 2.089 20 30 DEEDHN CCCCCCC[N@H+]1C[C@@H](CNC(=O)c2cnn[n-]2)[C@H](C)C1 ZINC001102115832 793508096 /nfs/dbraw/zinc/50/80/96/793508096.db2.gz BGKICIPFASHHNX-ZIAGYGMSSA-N 0 3 307.442 2.073 20 30 DEEDHN CCCCCCC[N@@H+]1C[C@@H](CNC(=O)c2cnn[n-]2)[C@H](C)C1 ZINC001102115832 793508101 /nfs/dbraw/zinc/50/81/01/793508101.db2.gz BGKICIPFASHHNX-ZIAGYGMSSA-N 0 3 307.442 2.073 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccncc2)C[C@H]1C#N ZINC001172969110 793546379 /nfs/dbraw/zinc/54/63/79/793546379.db2.gz VYVIABWMTQPHAY-GJZGRUSLSA-N 0 3 316.405 2.463 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC[C@](C)(O)C2)C[C@H]1C#N ZINC001172983447 793550718 /nfs/dbraw/zinc/55/07/18/793550718.db2.gz GAJBGPDQYKRHFH-KEYYUXOJSA-N 0 3 323.437 2.125 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC001102318506 793571515 /nfs/dbraw/zinc/57/15/15/793571515.db2.gz WNQUDYMOVXESEI-IAGOWNOFSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102410202 793605379 /nfs/dbraw/zinc/60/53/79/793605379.db2.gz QDMXGNQDXKWXND-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)OCC)C1 ZINC001102696697 793716765 /nfs/dbraw/zinc/71/67/65/793716765.db2.gz JFGZPUMRFLIOMZ-KWCYVHTRSA-N 0 3 302.846 2.238 20 30 DEEDHN CC1(C#N)CCC(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)CC1 ZINC001173594338 793775062 /nfs/dbraw/zinc/77/50/62/793775062.db2.gz ABZAINLRBWGKEH-ZTOOSOLZSA-N 0 3 303.450 2.254 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCOC)C1 ZINC001103736639 794209762 /nfs/dbraw/zinc/20/97/62/794209762.db2.gz JOTPWFFBSYTYHF-GZBFAFLISA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2nccnc2c1 ZINC001175607120 794257199 /nfs/dbraw/zinc/25/71/99/794257199.db2.gz LVKBHZYIPCBXAZ-UHFFFAOYSA-N 0 3 304.781 2.092 20 30 DEEDHN CCN1CCN(c2ccc(Nc3cn(C)nc3C#N)cc2)CC1 ZINC001175782526 794286658 /nfs/dbraw/zinc/28/66/58/794286658.db2.gz AUTAEOUJPGDGKQ-UHFFFAOYSA-N 0 3 310.405 2.177 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCCOCCC=C)C1 ZINC001111747939 794467634 /nfs/dbraw/zinc/46/76/34/794467634.db2.gz YQWGWPMYELCKIN-HKUYNNGSSA-N 0 3 318.461 2.353 20 30 DEEDHN C=C[C@H](C(=O)NCCCNCc1cc(C)ncn1)c1ccccc1 ZINC001176782136 794492869 /nfs/dbraw/zinc/49/28/69/794492869.db2.gz SPLQVVYLSKSWAS-SFHVURJKSA-N 0 3 324.428 2.351 20 30 DEEDHN C=C[C@@H](C(=O)NCCCNCc1cc(C)ncn1)c1ccccc1 ZINC001176782135 794493111 /nfs/dbraw/zinc/49/31/11/794493111.db2.gz SPLQVVYLSKSWAS-GOSISDBHSA-N 0 3 324.428 2.351 20 30 DEEDHN Cc1cc(CNCCCNC(=O)CC#Cc2ccccc2)on1 ZINC001176762981 794498681 /nfs/dbraw/zinc/49/86/81/794498681.db2.gz NMNCRICQMXGJHQ-UHFFFAOYSA-N 0 3 311.385 2.021 20 30 DEEDHN C[C@H](NCCCNC(=O)CC#Cc1ccccc1)c1cnccn1 ZINC001176768201 794500537 /nfs/dbraw/zinc/50/05/37/794500537.db2.gz MHSGASHXSBSNEB-INIZCTEOSA-N 0 3 322.412 2.075 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCCOC)C1 ZINC001111930168 794528145 /nfs/dbraw/zinc/52/81/45/794528145.db2.gz JBTYXFCREITEMW-BQFCYCMXSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1C(F)(F)F ZINC001112056831 794550313 /nfs/dbraw/zinc/55/03/13/794550313.db2.gz QMHMWIFXLDKGJR-DVFZLIDBSA-N 0 3 314.351 2.345 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001112090296 794558765 /nfs/dbraw/zinc/55/87/65/794558765.db2.gz CJAPOINKGNKZLF-YNEHKIRRSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](OCC)C(C)C)C[C@H]1C(F)(F)F ZINC001112099707 794559277 /nfs/dbraw/zinc/55/92/77/794559277.db2.gz GSLLBZNMFARQAN-UPJWGTAASA-N 0 3 322.371 2.212 20 30 DEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112107398 794560743 /nfs/dbraw/zinc/56/07/43/794560743.db2.gz CBFLUAYTZKQRRH-VXGBXAGGSA-N 0 3 322.371 2.214 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C(F)(F)F ZINC001112143881 794563529 /nfs/dbraw/zinc/56/35/29/794563529.db2.gz JRTXMHALQRIOHZ-VXGBXAGGSA-N 0 3 302.340 2.179 20 30 DEEDHN C=C(Cl)CNCCCN(CC1CCCC1)C(=O)COC ZINC001177167202 794587628 /nfs/dbraw/zinc/58/76/28/794587628.db2.gz OGCHGULCWGEFBE-UHFFFAOYSA-N 0 3 302.846 2.384 20 30 DEEDHN N#Cc1ccc(NCCNCc2cc3ccccc3[nH]c2=O)nc1 ZINC001177209009 794601137 /nfs/dbraw/zinc/60/11/37/794601137.db2.gz DYPRJQDUZPLUFS-UHFFFAOYSA-N 0 3 319.368 2.409 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2cnns2)CCCCC1 ZINC001177224018 794610910 /nfs/dbraw/zinc/61/09/10/794610910.db2.gz NXKSMPMDVZBDLU-UHFFFAOYSA-N 0 3 320.462 2.108 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001177638303 794718033 /nfs/dbraw/zinc/71/80/33/794718033.db2.gz UATSHTMPSJBVLI-CQSZACIVSA-N 0 3 308.809 2.147 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)c1ccc(OC)cc1 ZINC001115276575 794718558 /nfs/dbraw/zinc/71/85/58/794718558.db2.gz RGDDTMQYJTXVHC-CKNFYHOISA-N 0 3 314.429 2.421 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnsn2)CCCCC1 ZINC001115425904 794767658 /nfs/dbraw/zinc/76/76/58/794767658.db2.gz XFMSXRCJJUXBSN-UHFFFAOYSA-N 0 3 314.842 2.313 20 30 DEEDHN N#CC(Cc1cccs1)C(=O)N1CCC(n2ccnc2)CC1 ZINC001177909298 794773842 /nfs/dbraw/zinc/77/38/42/794773842.db2.gz KLAAPSPPYYMJER-CYBMUJFWSA-N 0 3 314.414 2.491 20 30 DEEDHN CO[C@H](C)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001177942025 794787402 /nfs/dbraw/zinc/78/74/02/794787402.db2.gz LEUUPCKCBBGMLX-OAHLLOKOSA-N 0 3 317.433 2.359 20 30 DEEDHN C=CCCC(=O)NCCCCCCNCc1cn(CC)nn1 ZINC001178007593 794794367 /nfs/dbraw/zinc/79/43/67/794794367.db2.gz HOONYWRJCVUNNZ-UHFFFAOYSA-N 0 3 307.442 2.030 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2cncs2)[C@@H]1C ZINC001178278465 794881639 /nfs/dbraw/zinc/88/16/39/794881639.db2.gz HUZFDUOVAHVKSB-YDHLFZDLSA-N 0 3 323.462 2.203 20 30 DEEDHN C#CCCCC(=O)NCCCCCCNCc1cc(OC)no1 ZINC001178331451 794890134 /nfs/dbraw/zinc/89/01/34/794890134.db2.gz QIGSEBMIVMRFRY-UHFFFAOYSA-N 0 3 321.421 2.253 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2)[C@@H]1C ZINC001178338842 794891437 /nfs/dbraw/zinc/89/14/37/794891437.db2.gz LJRRTGVNSSTRHM-LRDDRELGSA-N 0 3 324.371 2.246 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001178338518 794891487 /nfs/dbraw/zinc/89/14/87/794891487.db2.gz AVHLSLYBUQDLQA-JSGCOSHPSA-N 0 3 323.824 2.017 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(OC)ns2)[C@@H]1C ZINC001178324732 794901126 /nfs/dbraw/zinc/90/11/26/794901126.db2.gz YFGFURXYBSQXNF-AAEUAGOBSA-N 0 3 309.435 2.197 20 30 DEEDHN C=CCO[C@H]1CCN(C[C@H](O)COc2ccc(OCC)cc2)C1 ZINC001116556742 794967933 /nfs/dbraw/zinc/96/79/33/794967933.db2.gz RZCNWPLDDYJYDR-YJBOKZPZSA-N 0 3 321.417 2.102 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001178791410 794994814 /nfs/dbraw/zinc/99/48/14/794994814.db2.gz AFKZFUIQWGNIHJ-ZFWWWQNUSA-N 0 3 304.438 2.101 20 30 DEEDHN COCC#CC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001119624801 795332180 /nfs/dbraw/zinc/33/21/80/795332180.db2.gz PEEDWRMXZNJWLH-UHFFFAOYSA-N 0 3 314.307 2.355 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC001181898331 795557892 /nfs/dbraw/zinc/55/78/92/795557892.db2.gz PNZOEEVDGCUHEY-OAHLLOKOSA-N 0 3 308.447 2.421 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccsc1)C2 ZINC001110251057 795599497 /nfs/dbraw/zinc/59/94/97/795599497.db2.gz HMSZOFIJAYQKBZ-OAGGEKHMSA-N 0 3 320.458 2.215 20 30 DEEDHN CC[C@H](C)OCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182073237 795601805 /nfs/dbraw/zinc/60/18/05/795601805.db2.gz CDSRWGPKILGYML-QWHCGFSZSA-N 0 3 321.446 2.125 20 30 DEEDHN CC(C)(C)OCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182127569 795607731 /nfs/dbraw/zinc/60/77/31/795607731.db2.gz FZRUHMBEECNNOC-GFCCVEGCSA-N 0 3 321.446 2.125 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)COCC(F)F)C2 ZINC001121469197 795634546 /nfs/dbraw/zinc/63/45/46/795634546.db2.gz VISQGSIYICHDJR-UHFFFAOYSA-N 0 3 322.783 2.038 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C(=O)OC)c1ccc(C)cc1 ZINC001121949718 795708450 /nfs/dbraw/zinc/70/84/50/795708450.db2.gz BGHBEMMFDMIJEX-JKSUJKDBSA-N 0 3 318.417 2.051 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H](C)C(F)(F)F)CC1 ZINC001151254319 795718791 /nfs/dbraw/zinc/71/87/91/795718791.db2.gz FUETZLNOKRNOEI-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1c(C)[nH]c2ncccc12 ZINC001182620189 795722897 /nfs/dbraw/zinc/72/28/97/795722897.db2.gz MYEHDJLWGMFJPX-AWEZNQCLSA-N 0 3 312.417 2.180 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@H](C)CCOC)C2 ZINC001122219675 795737235 /nfs/dbraw/zinc/73/72/35/795737235.db2.gz IXGZDCYOFSJPCU-NYKNNPSKSA-N 0 3 314.857 2.429 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc3nccc(C)c3c2)C1 ZINC001182831769 795764364 /nfs/dbraw/zinc/76/43/64/795764364.db2.gz APCMVQPQGIVQLZ-MRXNPFEDSA-N 0 3 307.397 2.371 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NCCC(C)C)C1 ZINC001182918545 795782064 /nfs/dbraw/zinc/78/20/64/795782064.db2.gz JCRPXIGUQNRGPR-HZPDHXFCSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ncoc2-c2ccccc2)C1 ZINC001183038660 795793671 /nfs/dbraw/zinc/79/36/71/795793671.db2.gz GDJGEVFDAPYXLM-OAHLLOKOSA-N 0 3 309.369 2.169 20 30 DEEDHN CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001183958815 795967366 /nfs/dbraw/zinc/96/73/66/795967366.db2.gz DIBVJYUJXTWNKF-GJZGRUSLSA-N 0 3 300.402 2.103 20 30 DEEDHN C=C[C@H](C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001123774269 795975293 /nfs/dbraw/zinc/97/52/93/795975293.db2.gz ZPPRIKAPXNSDRF-KRWDZBQOSA-N 0 3 315.461 2.098 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cn(CC)c3ccccc23)C1 ZINC001184075647 795982206 /nfs/dbraw/zinc/98/22/06/795982206.db2.gz KXZKJVPVRULKDY-OAHLLOKOSA-N 0 3 309.413 2.489 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](CNCc2cc(C)no2)[C@@H](C)C1 ZINC001184297185 796028977 /nfs/dbraw/zinc/02/89/77/796028977.db2.gz DWQUYMSBLIKRIF-HOCLYGCPSA-N 0 3 317.433 2.361 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2cnc3ccccc3c2C)C1 ZINC001184372658 796057574 /nfs/dbraw/zinc/05/75/74/796057574.db2.gz XQVZZQRSPQECGJ-OAHLLOKOSA-N 0 3 307.397 2.371 20 30 DEEDHN CC/C=C(/C)C(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001124345647 796059346 /nfs/dbraw/zinc/05/93/46/796059346.db2.gz ZQOXJHDZRAZWHX-ACAGNQJTSA-N 0 3 301.390 2.129 20 30 DEEDHN C=CCOCCCC(=O)NCCNCc1ccc(F)c(F)c1 ZINC001125247421 796108985 /nfs/dbraw/zinc/10/89/85/796108985.db2.gz AZXMOEMOQVBQGV-UHFFFAOYSA-N 0 3 312.360 2.153 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2nsc3ccc(C)cc32)C1 ZINC001184814752 796132522 /nfs/dbraw/zinc/13/25/22/796132522.db2.gz AJPIBZZAAOOFRW-CYBMUJFWSA-N 0 3 313.426 2.432 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC001185064111 796173365 /nfs/dbraw/zinc/17/33/65/796173365.db2.gz LYSGLVDZMPDUGW-GDBMZVCRSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCOc1ccc(CN2CCN(C(C)C)CC2)cc1OC ZINC001138341140 796200074 /nfs/dbraw/zinc/20/00/74/796200074.db2.gz IHGQTGZUHWMLST-UHFFFAOYSA-N 0 3 302.418 2.233 20 30 DEEDHN C#CCOc1ccc(CN2CCN(C)C(C)(C)C2)cc1OC ZINC001138349425 796202736 /nfs/dbraw/zinc/20/27/36/796202736.db2.gz YUKXPRVYGOXEKS-UHFFFAOYSA-N 0 3 302.418 2.233 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](NCc2cnc(C)o2)C12CCC2 ZINC001202847450 796244431 /nfs/dbraw/zinc/24/44/31/796244431.db2.gz SRZQWJWUWHNFIB-HZPDHXFCSA-N 0 3 315.417 2.304 20 30 DEEDHN O=C1C=C2CN(Cc3ccnn3[C@H]3CCCCO3)CCC2S1 ZINC001138774570 796273872 /nfs/dbraw/zinc/27/38/72/796273872.db2.gz AGMCSCRTRFSSNR-HUUCEWRRSA-N 0 3 319.430 2.356 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001185925374 796340428 /nfs/dbraw/zinc/34/04/28/796340428.db2.gz MYYTUCYUVACFLE-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN COc1cccc(CNC(=O)N2CCC3SC(=O)C=C3C2)c1 ZINC001186180871 796370295 /nfs/dbraw/zinc/37/02/95/796370295.db2.gz LKQNTCKHJBEQGW-AWEZNQCLSA-N 0 3 318.398 2.179 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)Oc2cccc(C)c2)C1 ZINC001186249409 796378926 /nfs/dbraw/zinc/37/89/26/796378926.db2.gz AVPJKTCTOAGFPI-AEFFLSMTSA-N 0 3 314.429 2.366 20 30 DEEDHN Cc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1C#N ZINC001139725609 796416913 /nfs/dbraw/zinc/41/69/13/796416913.db2.gz VTZAIFYCAGVCHQ-QZTJIDSGSA-N 0 3 319.412 2.225 20 30 DEEDHN N#Cc1ccc2[nH]cc(CN3CC[C@@H](Oc4cnccn4)C3)c2c1 ZINC001140116563 796478681 /nfs/dbraw/zinc/47/86/81/796478681.db2.gz ATQDAWAZMUWARR-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN N#Cc1ccc(CN2CCC3(CCCNC3=O)CC2)c(F)c1 ZINC001140139161 796484180 /nfs/dbraw/zinc/48/41/80/796484180.db2.gz JQQCNZHAUZBGDE-UHFFFAOYSA-N 0 3 301.365 2.190 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001187240672 796505027 /nfs/dbraw/zinc/50/50/27/796505027.db2.gz WEVMILKTCGKTED-DZGCQCFKSA-N 0 3 305.447 2.185 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(CO)o1)C2 ZINC001140680226 796555025 /nfs/dbraw/zinc/55/50/25/796555025.db2.gz TWWWGPCWUMYURN-ROUUACIJSA-N 0 3 321.417 2.346 20 30 DEEDHN CCCC[C@@H](C(=O)N1CC[C@@H](NCC#CCOC)C1)C(C)C ZINC001188196840 796639589 /nfs/dbraw/zinc/63/95/89/796639589.db2.gz UFJXUROMFAZYGJ-IAGOWNOFSA-N 0 3 308.466 2.289 20 30 DEEDHN CN1CC2(C1)CCN(Cc1cc(Br)ccc1C#N)C2 ZINC001141905195 796697660 /nfs/dbraw/zinc/69/76/60/796697660.db2.gz VJHUNILGNFGMMI-UHFFFAOYSA-N 0 3 320.234 2.458 20 30 DEEDHN N#C[C@@H]1CCCCN1C(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142343659 796736857 /nfs/dbraw/zinc/73/68/57/796736857.db2.gz IWJGPAQOFJUQFL-KRWDZBQOSA-N 0 3 312.417 2.198 20 30 DEEDHN CCCCCCC[C@@H](C)CNC(=O)N1CCOC2(CNC2)C1 ZINC000841722618 796740666 /nfs/dbraw/zinc/74/06/66/796740666.db2.gz FOWDCSWDZADCOM-OAHLLOKOSA-N 0 3 311.470 2.367 20 30 DEEDHN CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189003468 796753525 /nfs/dbraw/zinc/75/35/25/796753525.db2.gz LRVHISOPZACYLG-RHSMWYFYSA-N 0 3 315.417 2.016 20 30 DEEDHN CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189002609 796754151 /nfs/dbraw/zinc/75/41/51/796754151.db2.gz INBISZUXNXCGKC-YOEHRIQHSA-N 0 3 315.417 2.016 20 30 DEEDHN N#Cc1ccc2c(CN3CCC[C@]4(CCNC4=O)C3)c[nH]c2c1 ZINC001142915940 796784458 /nfs/dbraw/zinc/78/44/58/796784458.db2.gz JZDVLFICPFPNOG-SFHVURJKSA-N 0 3 308.385 2.142 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccc3nonc3c2)C1 ZINC001189318455 796807090 /nfs/dbraw/zinc/80/70/90/796807090.db2.gz MEOUFLHFMRAFCF-AWEZNQCLSA-N 0 3 314.389 2.222 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)Cc2ccccc2F)c1 ZINC001149692226 796886824 /nfs/dbraw/zinc/88/68/24/796886824.db2.gz DPZQBEIKMFUUAI-UHFFFAOYSA-N 0 3 311.360 2.146 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CC2CC(F)(F)C2)C1 ZINC001149914300 796904946 /nfs/dbraw/zinc/90/49/46/796904946.db2.gz ZSYXSCUIMMYSII-AWEZNQCLSA-N 0 3 316.392 2.205 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001149929875 796906358 /nfs/dbraw/zinc/90/63/58/796906358.db2.gz FZYFHQDSVJRRFJ-NVXWUHKLSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)CC(F)(F)F)C1 ZINC001150023187 796914645 /nfs/dbraw/zinc/91/46/45/796914645.db2.gz ROSWFNXAXVGYHV-CHWSQXEVSA-N 0 3 322.371 2.358 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)CC(F)(F)F)C1 ZINC001150219832 796928756 /nfs/dbraw/zinc/92/87/56/796928756.db2.gz ROSWFNXAXVGYHV-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN COCC#CCNCCNC(=O)CC(C)(C)c1ccc(C)cc1 ZINC001150377537 796939387 /nfs/dbraw/zinc/93/93/87/796939387.db2.gz XXFRJHUYPBFZAO-UHFFFAOYSA-N 0 3 316.445 2.018 20 30 DEEDHN CCOCCOC1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001190365395 796994825 /nfs/dbraw/zinc/99/48/25/796994825.db2.gz IQAZIOKXGLAQKI-SFHVURJKSA-N 0 3 318.417 2.109 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)[C@H](C)SC)CC1 ZINC001150970912 796996780 /nfs/dbraw/zinc/99/67/80/796996780.db2.gz SUFQNFPVQWJPTK-AWEZNQCLSA-N 0 3 314.495 2.301 20 30 DEEDHN C=CCN1CC[C@@H](NCCNC(=O)C(C)(C)CCCCC)C1=O ZINC001151864121 796997318 /nfs/dbraw/zinc/99/73/18/796997318.db2.gz QUSVXTSEDDKCCL-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N(C)CCO[C@H]2CC2(F)F)C1 ZINC001190436570 797007792 /nfs/dbraw/zinc/00/77/92/797007792.db2.gz WVHYWEMVMCEJGK-KBPBESRZSA-N 0 3 316.392 2.300 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2conc2CC)CC1 ZINC001151308804 797032210 /nfs/dbraw/zinc/03/22/10/797032210.db2.gz WBVUXUACCUDTJW-UHFFFAOYSA-N 0 3 321.421 2.024 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](N(C)CCOC(C)C)C2)cc1 ZINC001191666709 797243983 /nfs/dbraw/zinc/24/39/83/797243983.db2.gz NIYKKRQKNAKJFG-SFHVURJKSA-N 0 3 314.429 2.239 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)CCO[C@H]2CC2(F)F)C1 ZINC001191727268 797247909 /nfs/dbraw/zinc/24/79/09/797247909.db2.gz IDQHWVYMBSQKQQ-STQMWFEESA-N 0 3 316.392 2.156 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](N(C)C[C@@H]2CCCCO2)C1 ZINC001191867804 797278388 /nfs/dbraw/zinc/27/83/88/797278388.db2.gz IWXOWHLFPRAQPR-IRXDYDNUSA-N 0 3 306.450 2.282 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001153090939 797282770 /nfs/dbraw/zinc/28/27/70/797282770.db2.gz TWYAWAIUALHDMV-CJNGLKHVSA-N 0 3 310.463 2.402 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001153149508 797291466 /nfs/dbraw/zinc/29/14/66/797291466.db2.gz XOYBOKKKFOZBPX-NEPJUHHUSA-N 0 3 312.360 2.323 20 30 DEEDHN CCN(C[C@@H](O)c1ccccc1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207585 797300784 /nfs/dbraw/zinc/30/07/84/797300784.db2.gz LFPXNWRMWPCVNR-SJLPKXTDSA-N 0 3 316.445 2.206 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCOCC(F)(F)F)C1 ZINC001192061915 797316839 /nfs/dbraw/zinc/31/68/39/797316839.db2.gz XFHJRLWZHHKRHJ-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N(C)CCOC[C@@H]2CCCO2)C1 ZINC001192094554 797325384 /nfs/dbraw/zinc/32/53/84/797325384.db2.gz VAQFPQMKNRIXIM-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1CC ZINC001153445707 797339454 /nfs/dbraw/zinc/33/94/54/797339454.db2.gz GNIXHFVNQKDENR-JKSUJKDBSA-N 0 3 318.465 2.247 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C(C)(C)C(F)F)C1 ZINC001192246748 797343241 /nfs/dbraw/zinc/34/32/41/797343241.db2.gz LOHFGDPQQWTCQD-LBPRGKRZSA-N 0 3 304.381 2.013 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn2cc(C)nc2s1 ZINC001153814421 797401941 /nfs/dbraw/zinc/40/19/41/797401941.db2.gz FCZVYFCGNBLPRF-CYBMUJFWSA-N 0 3 318.446 2.168 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC001192577624 797414774 /nfs/dbraw/zinc/41/47/74/797414774.db2.gz IGOQHLUYJUUNMO-INIZCTEOSA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N(C)CCOCC(F)F)C1 ZINC001192586329 797415460 /nfs/dbraw/zinc/41/54/60/797415460.db2.gz MKTFHZLDIKNIDP-ZDUSSCGKSA-N 0 3 318.408 2.403 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001192591775 797418019 /nfs/dbraw/zinc/41/80/19/797418019.db2.gz WKEWFRDAJMCNSX-BPLDGKMQSA-N 0 3 306.406 2.026 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)CC=C(C)C)C1 ZINC001192795213 797449459 /nfs/dbraw/zinc/44/94/59/797449459.db2.gz WBTCYRXTKVRXCD-ULQDDVLXSA-N 0 3 306.450 2.467 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(C)nc1C1CCC1 ZINC001154092050 797460462 /nfs/dbraw/zinc/46/04/62/797460462.db2.gz BBLUEFTVBSNBOG-CQSZACIVSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001154112717 797466335 /nfs/dbraw/zinc/46/63/35/797466335.db2.gz NYZXZUGKHNMFIR-HUUCEWRRSA-N 0 3 316.449 2.236 20 30 DEEDHN CCCCCCC[C@H](C)NC(=O)NC1CCN(CCO)CC1 ZINC001192950728 797473219 /nfs/dbraw/zinc/47/32/19/797473219.db2.gz LMGJZFBVSJSHKE-HNNXBMFYSA-N 0 3 313.486 2.491 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cccs1 ZINC001154293534 797505549 /nfs/dbraw/zinc/50/55/49/797505549.db2.gz QAVBFBPUAQQFIW-UHFFFAOYSA-N 0 3 303.225 2.366 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001154381789 797526376 /nfs/dbraw/zinc/52/63/76/797526376.db2.gz VDONRDGCZAFKFU-CVEARBPZSA-N 0 3 308.466 2.432 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001193312798 797551978 /nfs/dbraw/zinc/55/19/78/797551978.db2.gz NNNBJEHRWNPFMD-CHWSQXEVSA-N 0 3 320.836 2.066 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001193400098 797559274 /nfs/dbraw/zinc/55/92/74/797559274.db2.gz JEAWBGRXLOCHTP-IAGOWNOFSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001193417109 797563705 /nfs/dbraw/zinc/56/37/05/797563705.db2.gz MAYODHOAZCBWOW-CYBMUJFWSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2C)C1 ZINC001193586684 797588101 /nfs/dbraw/zinc/58/81/01/797588101.db2.gz BCNUPTRZAPFAJS-MRXNPFEDSA-N 0 3 320.408 2.483 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC)c1ccccn1 ZINC001154864782 797628319 /nfs/dbraw/zinc/62/83/19/797628319.db2.gz BWEZXYXUQBCZCN-CVEARBPZSA-N 0 3 301.434 2.425 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001193835251 797633129 /nfs/dbraw/zinc/63/31/29/797633129.db2.gz RYMJCMABXRRRDM-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)Cc1ccc(F)cc1Cl ZINC001155011051 797661065 /nfs/dbraw/zinc/66/10/65/797661065.db2.gz DZBUALJQLGSNGN-GFCCVEGCSA-N 0 3 310.800 2.481 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(C)nc2C)C1 ZINC001194200850 797692142 /nfs/dbraw/zinc/69/21/42/797692142.db2.gz PALHNMAPCUHMJF-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001155168903 797699369 /nfs/dbraw/zinc/69/93/69/797699369.db2.gz KLMJQYXGWSZVOE-HNNXBMFYSA-N 0 3 311.385 2.321 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2cccc(OC)c2)C1 ZINC001194266102 797702605 /nfs/dbraw/zinc/70/26/05/797702605.db2.gz KXVIDMHCFJRUNU-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001194381186 797719451 /nfs/dbraw/zinc/71/94/51/797719451.db2.gz CRHAIQYVSHAJNI-QGZVFWFLSA-N 0 3 320.408 2.451 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001194420172 797725343 /nfs/dbraw/zinc/72/53/43/797725343.db2.gz OPDJIGQUQVBGHL-SJORKVTESA-N 0 3 302.418 2.483 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001155513932 797777498 /nfs/dbraw/zinc/77/74/98/797777498.db2.gz DQLAVXFIJLFGFD-MRXNPFEDSA-N 0 3 311.429 2.136 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1oc(CC(C)C)nc1C ZINC001155718668 797834069 /nfs/dbraw/zinc/83/40/69/797834069.db2.gz OWAFGIWVQLMGGV-CYBMUJFWSA-N 0 3 305.422 2.255 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1)COC2 ZINC001155802633 797851719 /nfs/dbraw/zinc/85/17/19/797851719.db2.gz SWMOGHCMURTNBN-CQSZACIVSA-N 0 3 300.402 2.180 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)C(C)C ZINC001156020744 797906535 /nfs/dbraw/zinc/90/65/35/797906535.db2.gz IZHULTNNPJKZQU-WBVHZDCISA-N 0 3 301.434 2.281 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1sc(CC2CC2)nc1C ZINC001156020585 797906649 /nfs/dbraw/zinc/90/66/49/797906649.db2.gz FFQKGQVHWOETBN-GFCCVEGCSA-N 0 3 319.474 2.477 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001195491900 797913530 /nfs/dbraw/zinc/91/35/30/797913530.db2.gz HSKOAQAOXGVIHV-KFWWJZLASA-N 0 3 302.434 2.112 20 30 DEEDHN C=CCCCCCN1CCCN(C(=O)c2cncnc2)CC1 ZINC001195555692 797918032 /nfs/dbraw/zinc/91/80/32/797918032.db2.gz ILZRGKIELSYWIA-UHFFFAOYSA-N 0 3 302.422 2.371 20 30 DEEDHN C=CCC[C@H](C)N1CCCN(C(=O)c2cc(OC)no2)CC1 ZINC001195549703 797923767 /nfs/dbraw/zinc/92/37/67/797923767.db2.gz NZTWCHJDAQUTGI-ZDUSSCGKSA-N 0 3 307.394 2.186 20 30 DEEDHN CC(C)(C)C#CC(=O)N1CCCN(CC[C@@H]2CCCO2)CC1 ZINC001195785283 797961731 /nfs/dbraw/zinc/96/17/31/797961731.db2.gz IZOXFFVRVLQCMX-INIZCTEOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)CC1 ZINC001195905853 797982549 /nfs/dbraw/zinc/98/25/49/797982549.db2.gz DYQHBFNUJYKDDO-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(NC(C)=O)c1C ZINC001156390239 797991895 /nfs/dbraw/zinc/99/18/95/797991895.db2.gz KVIHFMNKLVLSNG-CYBMUJFWSA-N 0 3 315.417 2.027 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1cncc(F)c1 ZINC001156477211 798010966 /nfs/dbraw/zinc/01/09/66/798010966.db2.gz IVWCTYGMSLBVEM-UHFFFAOYSA-N 0 3 312.348 2.002 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001156601899 798040073 /nfs/dbraw/zinc/04/00/73/798040073.db2.gz HIDWSBKUIAXOQR-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN CC1(C)C[C@@H]1C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156685358 798062373 /nfs/dbraw/zinc/06/23/73/798062373.db2.gz YXIQIWZRUXDLHE-CQSZACIVSA-N 0 3 303.381 2.339 20 30 DEEDHN N#Cc1ccc(C(=O)NCCCNCc2ccc(F)cc2F)[nH]1 ZINC001156690977 798063788 /nfs/dbraw/zinc/06/37/88/798063788.db2.gz JJZRFWLGBIWPDV-UHFFFAOYSA-N 0 3 318.327 2.074 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cccs2)C1 ZINC001196510676 798066445 /nfs/dbraw/zinc/06/64/45/798066445.db2.gz UCFCJTIYKIADGC-FVQBIDKESA-N 0 3 322.474 2.054 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccc(C)c(C)c1 ZINC001156863959 798097928 /nfs/dbraw/zinc/09/79/28/798097928.db2.gz URDQUDNJYNIZEO-MRXNPFEDSA-N 0 3 302.418 2.142 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1 ZINC001197206134 798160885 /nfs/dbraw/zinc/16/08/85/798160885.db2.gz HPDWRDFSCCCYNV-IAGOWNOFSA-N 0 3 321.465 2.010 20 30 DEEDHN C=CC1(CC(=O)N2CCCN(CCCO)CC2)CCCCC1 ZINC001197417886 798187694 /nfs/dbraw/zinc/18/76/94/798187694.db2.gz NTGOUCWOQUNXNT-UHFFFAOYSA-N 0 3 308.466 2.430 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2cnc(C)nc2C)CC1 ZINC001197477245 798193294 /nfs/dbraw/zinc/19/32/94/798193294.db2.gz FCMRHZWSWHWMBN-UHFFFAOYSA-N 0 3 302.422 2.208 20 30 DEEDHN C(#CC1CCN(c2cc3c(nn2)CCNC3)CC1)c1ccccc1 ZINC001157527960 798222477 /nfs/dbraw/zinc/22/24/77/798222477.db2.gz ARJXFIFZAFUYMM-UHFFFAOYSA-N 0 3 318.424 2.390 20 30 DEEDHN CCc1onc(C)c1CNCCCNC(=O)C#CC(C)(C)C ZINC001157727222 798267540 /nfs/dbraw/zinc/26/75/40/798267540.db2.gz JAQQOIORXMCJTH-UHFFFAOYSA-N 0 3 305.422 2.191 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001158128537 798346963 /nfs/dbraw/zinc/34/69/63/798346963.db2.gz BEAZIULWBPFGQG-HUUCEWRRSA-N 0 3 315.889 2.392 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCn2nccc21 ZINC001158142808 798349862 /nfs/dbraw/zinc/34/98/62/798349862.db2.gz ZMFMUYHTIOEKGJ-HZPDHXFCSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cc(C)nnc1CC ZINC001158149239 798351516 /nfs/dbraw/zinc/35/15/16/798351516.db2.gz ZPNMLXQIBXCJGE-OAHLLOKOSA-N 0 3 316.449 2.460 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001198662728 798379490 /nfs/dbraw/zinc/37/94/90/798379490.db2.gz SOOWQPZOIHZBRQ-HZPDHXFCSA-N 0 3 307.438 2.068 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)C#CC1CC1)NC(C)C ZINC001198723778 798382502 /nfs/dbraw/zinc/38/25/02/798382502.db2.gz KKJHOIRTMZTZJQ-MRXNPFEDSA-N 0 3 300.402 2.264 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001198956164 798420927 /nfs/dbraw/zinc/42/09/27/798420927.db2.gz RARAHOFAJFBVNO-RCCFBDPRSA-N 0 3 314.429 2.084 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1scnc1COC ZINC001158578800 798432933 /nfs/dbraw/zinc/43/29/33/798432933.db2.gz YXZJAKCLIKHOIV-CYBMUJFWSA-N 0 3 323.462 2.402 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001199210643 798451265 /nfs/dbraw/zinc/45/12/65/798451265.db2.gz LRHKVXAKZPNCLG-BRWVUGGUSA-N 0 3 320.408 2.057 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1c[nH]cc1C ZINC001158852600 798478709 /nfs/dbraw/zinc/47/87/09/798478709.db2.gz ICENNGQIIBNLBB-MRXNPFEDSA-N 0 3 319.449 2.452 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001110540094 798519790 /nfs/dbraw/zinc/51/97/90/798519790.db2.gz BQUAHPYYPIITFJ-KFWWJZLASA-N 0 3 308.372 2.167 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CCC2CCCC2)CCCO1 ZINC001199743807 798531016 /nfs/dbraw/zinc/53/10/16/798531016.db2.gz HSOYNANMMDLEAW-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC1=CCN(CCOCC2CCC2)CC1 ZINC001159586909 798583916 /nfs/dbraw/zinc/58/39/16/798583916.db2.gz DYDCACRFWKGNIF-OAHLLOKOSA-N 0 3 319.449 2.101 20 30 DEEDHN COc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ncc1C#N ZINC001159592185 798585676 /nfs/dbraw/zinc/58/56/76/798585676.db2.gz MTMRGJWTEXTVSF-NSHDSACASA-N 0 3 320.356 2.229 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CCCC(C)(C)C)CCCO1 ZINC001200108609 798586034 /nfs/dbraw/zinc/58/60/34/798586034.db2.gz FPLATUVFMQXZOD-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2ncoc2CC)CC1 ZINC001159708095 798598146 /nfs/dbraw/zinc/59/81/46/798598146.db2.gz QLZSMRHKLNMVFF-UHFFFAOYSA-N 0 3 301.390 2.012 20 30 DEEDHN C#CCOc1ccc(NC(=S)NCCN2CCCCC2)cc1 ZINC001200432005 798636475 /nfs/dbraw/zinc/63/64/75/798636475.db2.gz ABQIYBFYYFZYJF-UHFFFAOYSA-N 0 3 317.458 2.471 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1sc2nccn2c1C ZINC001160104526 798648346 /nfs/dbraw/zinc/64/83/46/798648346.db2.gz YEIUWLIZERDVRB-UHFFFAOYSA-N 0 3 312.826 2.166 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001160296262 798672203 /nfs/dbraw/zinc/67/22/03/798672203.db2.gz FDOWABXYHNQBLT-IRXDYDNUSA-N 0 3 304.434 2.106 20 30 DEEDHN N#Cc1ccc(CC2CCN(C(=O)[C@@H](N)CC(F)F)CC2)cc1 ZINC001160568283 798706764 /nfs/dbraw/zinc/70/67/64/798706764.db2.gz BYTPAZUFUSWJDY-HNNXBMFYSA-N 0 3 321.371 2.322 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001160657785 798716781 /nfs/dbraw/zinc/71/67/81/798716781.db2.gz MMVBLUAKEYRWPI-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2onc3c2CCCC3)CC1 ZINC001160666277 798718609 /nfs/dbraw/zinc/71/86/09/798718609.db2.gz XGWIBOWNQMTRBU-UHFFFAOYSA-N 0 3 315.417 2.491 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1c(C)noc1C(F)F ZINC001160733569 798732446 /nfs/dbraw/zinc/73/24/46/798732446.db2.gz DLXGQEKNIHGXEG-UHFFFAOYSA-N 0 3 307.728 2.383 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@](C)(CC)CCC)CCCO1 ZINC001201725315 798790202 /nfs/dbraw/zinc/79/02/02/798790202.db2.gz AMUCPFPCMQPPJU-WMZOPIPTSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(CC)CCCC2)CCCO1 ZINC001201759271 798795270 /nfs/dbraw/zinc/79/52/70/798795270.db2.gz UGQOLZQMCXHJLF-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H](CC(C)C)OC)CC1 ZINC001161133096 798800341 /nfs/dbraw/zinc/80/03/41/798800341.db2.gz ADVFNKCFCCLIGE-QGZVFWFLSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H](C)C2CCCC2)CCCO1 ZINC001201822449 798802405 /nfs/dbraw/zinc/80/24/05/798802405.db2.gz APCHIZJFYYLSJW-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)CCc2cc(C)on2)CC1 ZINC001161189468 798807762 /nfs/dbraw/zinc/80/77/62/798807762.db2.gz QVJZOWAIPGQFSX-UHFFFAOYSA-N 0 3 303.406 2.240 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccccc2Cl)CCCO1 ZINC001201917949 798811034 /nfs/dbraw/zinc/81/10/34/798811034.db2.gz XXEWJYFLGZCXEC-CQSZACIVSA-N 0 3 320.820 2.184 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CCC(NCc2cnns2)CC1 ZINC001202084577 798824857 /nfs/dbraw/zinc/82/48/57/798824857.db2.gz GGJDOAVBGWEZJI-NEPJUHHUSA-N 0 3 308.451 2.077 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@]2(C)CCC(C)=C(C)C2)CCCO1 ZINC001202182702 798837029 /nfs/dbraw/zinc/83/70/29/798837029.db2.gz ILLQLSUSOHKPKI-PKOBYXMFSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ccnc(C3CC3)n2)CC1 ZINC001161376409 798839351 /nfs/dbraw/zinc/83/93/51/798839351.db2.gz WOOXXVQMWIWJBK-UHFFFAOYSA-N 0 3 312.417 2.292 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C1(F)CCCC1 ZINC001161524081 798876671 /nfs/dbraw/zinc/87/66/71/798876671.db2.gz FQEAQIKRHDRMCN-UHFFFAOYSA-N 0 3 307.207 2.273 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CC[C@H]2CCCOC2)CC1 ZINC001161598431 798894185 /nfs/dbraw/zinc/89/41/85/798894185.db2.gz NJGZLFNRXBHKEH-GOSISDBHSA-N 0 3 318.461 2.355 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2ncoc2C2CC2)CC1 ZINC001161639844 798901148 /nfs/dbraw/zinc/90/11/48/798901148.db2.gz FXTYWQGZHXIWNE-UHFFFAOYSA-N 0 3 301.390 2.490 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001161779552 798934990 /nfs/dbraw/zinc/93/49/90/798934990.db2.gz MTUXJQFGMICGRE-AEFFLSMTSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@H]2COc3ccccc32)CC1 ZINC001161998072 798988696 /nfs/dbraw/zinc/98/86/96/798988696.db2.gz HARRDALONYPZCK-KRWDZBQOSA-N 0 3 312.413 2.487 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CC(C)(C)C)(COC)CC1 ZINC001162096663 799009980 /nfs/dbraw/zinc/00/99/80/799009980.db2.gz QAYLFGNROUHLFA-UHFFFAOYSA-N 0 3 308.466 2.291 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001162144053 799019396 /nfs/dbraw/zinc/01/93/96/799019396.db2.gz GOQOHFPZVWMCFH-UHFFFAOYSA-N 0 3 321.808 2.033 20 30 DEEDHN CC#CCN1CCC(CNC(=O)CCC2CCC2)(COC)CC1 ZINC001162194730 799030606 /nfs/dbraw/zinc/03/06/06/799030606.db2.gz SGSVYWGWIAEHIN-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)OCc1ccccc1 ZINC001162299272 799054545 /nfs/dbraw/zinc/05/45/45/799054545.db2.gz GGUSUCAWZBAAGK-AWEZNQCLSA-N 0 3 310.825 2.440 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)C(C)(C)C)(COC)CC1 ZINC001162327269 799061762 /nfs/dbraw/zinc/06/17/62/799061762.db2.gz PHEWNTICHJPQRQ-OAHLLOKOSA-N 0 3 308.466 2.147 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCC1(COC)CCN(CC#CC)CC1 ZINC001162419121 799083113 /nfs/dbraw/zinc/08/31/13/799083113.db2.gz MRZBKFMZZCPZML-DLBZAZTESA-N 0 3 320.477 2.313 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCC(C)(C)C2)(COC)CC1 ZINC001162471308 799096679 /nfs/dbraw/zinc/09/66/79/799096679.db2.gz WTTBONCLQCKPCK-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)[C@H](C)CC)(COC)CC1 ZINC001162557273 799116426 /nfs/dbraw/zinc/11/64/26/799116426.db2.gz CIWJCZFBJURMDY-CVEARBPZSA-N 0 3 308.466 2.147 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1cncc(C)c1 ZINC001162756339 799167038 /nfs/dbraw/zinc/16/70/38/799167038.db2.gz FEUNEMAUCPTNPE-UHFFFAOYSA-N 0 3 321.424 2.298 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1OC ZINC001213309163 799193958 /nfs/dbraw/zinc/19/39/58/799193958.db2.gz OTGFIPWBMIMSLE-ISIQUDIPSA-N 0 3 306.450 2.352 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC001162952450 799206553 /nfs/dbraw/zinc/20/65/53/799206553.db2.gz PZRYCXOHHCQASN-SFHVURJKSA-N 0 3 310.441 2.471 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC001006357798 799265319 /nfs/dbraw/zinc/26/53/19/799265319.db2.gz ZFCOJUARBXBBCM-UHFFFAOYSA-N 0 3 312.417 2.214 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@@H](NCc2cnc(C)cn2)C12CCC2 ZINC001202616540 799288356 /nfs/dbraw/zinc/28/83/56/799288356.db2.gz HWIHACDHGWNJNV-HZPDHXFCSA-N 0 3 314.433 2.268 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC001202694899 799361879 /nfs/dbraw/zinc/36/18/79/799361879.db2.gz VKJIKSZALNTRJG-UHFFFAOYSA-N 0 3 321.421 2.366 20 30 DEEDHN N#Cc1ncc(Cl)cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163649656 799395056 /nfs/dbraw/zinc/39/50/56/799395056.db2.gz BUQUTLYXGLYJQR-LSDHHAIUSA-N 0 3 306.797 2.320 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN[C@H](C)c2cnc(C)cn2)cc1 ZINC001163729140 799417537 /nfs/dbraw/zinc/41/75/37/799417537.db2.gz NSLAPDORLQVZJU-OAHLLOKOSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CCCCOC)CC1 ZINC001163730396 799418018 /nfs/dbraw/zinc/41/80/18/799418018.db2.gz HGQBCSNYASLHGQ-UHFFFAOYSA-N 0 3 302.846 2.432 20 30 DEEDHN C=CCCC(=O)NCCC1(CNCc2nccnc2C)CC1 ZINC001163746510 799422105 /nfs/dbraw/zinc/42/21/05/799422105.db2.gz ODQODVTZAUKQGF-UHFFFAOYSA-N 0 3 302.422 2.127 20 30 DEEDHN C#CCCCCCC(=O)NCCCNCc1cccc(OC)n1 ZINC001163964363 799466365 /nfs/dbraw/zinc/46/63/65/799466365.db2.gz ZBIBWOVWUYRDOM-UHFFFAOYSA-N 0 3 317.433 2.270 20 30 DEEDHN Cc1cc(CN)nn1-c1ncc(F)c(Oc2ccc(C#N)cc2)n1 ZINC001163981298 799471046 /nfs/dbraw/zinc/47/10/46/799471046.db2.gz JPADHOFWXMCXSM-UHFFFAOYSA-N 0 3 324.319 2.233 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001110863223 799513859 /nfs/dbraw/zinc/51/38/59/799513859.db2.gz AJHHGAOKJDXVIB-AIANPOQGSA-N 0 3 312.429 2.296 20 30 DEEDHN CC#CCCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001164268501 799557644 /nfs/dbraw/zinc/55/76/44/799557644.db2.gz IZPUJFQEZTZBNJ-UHFFFAOYSA-N 0 3 315.392 2.487 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2cnnc(C)c2)CC1 ZINC001164297472 799564218 /nfs/dbraw/zinc/56/42/18/799564218.db2.gz DYXQSDLWBMMSPV-UHFFFAOYSA-N 0 3 308.813 2.027 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C2 ZINC001095428924 799591363 /nfs/dbraw/zinc/59/13/63/799591363.db2.gz VAGYBNLSNJTQET-LTIDMASMSA-N 0 3 318.461 2.327 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1occc1-c1cnn(C)c1 ZINC001164506796 799613297 /nfs/dbraw/zinc/61/32/97/799613297.db2.gz PFDGFLQXVVNCPR-UHFFFAOYSA-N 0 3 322.796 2.142 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1COCC3)C2 ZINC001095518799 799643984 /nfs/dbraw/zinc/64/39/84/799643984.db2.gz HDBURLAUWWPLQB-MNEFBYGVSA-N 0 3 324.424 2.118 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001095538092 799651447 /nfs/dbraw/zinc/65/14/47/799651447.db2.gz YRLXUVXCVNUSLK-WCVJEAGWSA-N 0 3 317.433 2.044 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001095538091 799651725 /nfs/dbraw/zinc/65/17/25/799651725.db2.gz YRLXUVXCVNUSLK-FZKCQIBNSA-N 0 3 317.433 2.044 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cncn3c1C)C2 ZINC001095661730 799685091 /nfs/dbraw/zinc/68/50/91/799685091.db2.gz NHNDQKYPJRHBJW-COXVUDFISA-N 0 3 310.401 2.164 20 30 DEEDHN CCCc1cc(C#N)c(N2CC[C@@H]3NCCO[C@H]3C2)nc1Cl ZINC001165271497 799691964 /nfs/dbraw/zinc/69/19/64/799691964.db2.gz XPAPUJYXBBFYRU-KBPBESRZSA-N 0 3 320.824 2.126 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C2(F)CCOCC2)CC1 ZINC001165361857 799713379 /nfs/dbraw/zinc/71/33/79/799713379.db2.gz CSESZNLTBNFQRY-UHFFFAOYSA-N 0 3 318.820 2.134 20 30 DEEDHN C[C@@H]1C[C@@H]1CC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001165884841 799787199 /nfs/dbraw/zinc/78/71/99/799787199.db2.gz GCIDWTMRUDIZIP-TZMCWYRMSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)c2ccnnc2C)CC1 ZINC001165992397 799809666 /nfs/dbraw/zinc/80/96/66/799809666.db2.gz BJDAAMKEIMANAL-UHFFFAOYSA-N 0 3 308.813 2.027 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)c(C)c1 ZINC000932576388 799848971 /nfs/dbraw/zinc/84/89/71/799848971.db2.gz RZXXTPXPOKTSFM-QWHCGFSZSA-N 0 3 319.405 2.055 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)c1conc1C1CC1 ZINC001166432840 799869554 /nfs/dbraw/zinc/86/95/54/799869554.db2.gz PGDJFCMQZWMTNU-UHFFFAOYSA-N 0 3 324.384 2.333 20 30 DEEDHN COC(=O)c1cnc([C@@H]2CCN([C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000932672999 799887878 /nfs/dbraw/zinc/88/78/78/799887878.db2.gz ONHGSQVNRABSOM-TUAOUCFPSA-N 0 3 305.403 2.411 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932706693 799903362 /nfs/dbraw/zinc/90/33/62/799903362.db2.gz DJUVWWFGGDXKTJ-LSDHHAIUSA-N 0 3 310.438 2.119 20 30 DEEDHN N#Cc1ccc(CC2CCN(c3cc(CN)ncn3)CC2)cc1 ZINC001166766805 799945131 /nfs/dbraw/zinc/94/51/31/799945131.db2.gz LGDNWHLPSUOOAD-UHFFFAOYSA-N 0 3 307.401 2.266 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H](OC)C(C)C)CC1 ZINC001167001714 800003491 /nfs/dbraw/zinc/00/34/91/800003491.db2.gz CTZHTTXMINCLGS-CYBMUJFWSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)CCN1Cc1ccc(C#N)cc1 ZINC000947095201 800014076 /nfs/dbraw/zinc/01/40/76/800014076.db2.gz RHMHDVIYTFDZOG-CXAGYDPISA-N 0 3 323.400 2.064 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@H]([C@@H]2CCCO2)C1 ZINC000933183410 800033914 /nfs/dbraw/zinc/03/39/14/800033914.db2.gz PSHFPGGTQMNCQO-ILXRZTDVSA-N 0 3 308.422 2.359 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(OC)c(C)c1 ZINC000933489308 800108294 /nfs/dbraw/zinc/10/82/94/800108294.db2.gz AHLRJNHSGGLCDC-CQSZACIVSA-N 0 3 303.406 2.416 20 30 DEEDHN CN1CCN(Cc2cccc(Nc3cccnc3C#N)c2)CC1 ZINC001204491865 800222010 /nfs/dbraw/zinc/22/20/10/800222010.db2.gz YBDOBQWLTJBYPW-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cnn(C)c1C)C2 ZINC001204570575 800231477 /nfs/dbraw/zinc/23/14/77/800231477.db2.gz CTVPYDBVRPOHMR-ROUUACIJSA-N 0 3 319.449 2.302 20 30 DEEDHN N#Cc1ccc(Oc2ccc(CN3C[C@@H](F)[C@@H](N)C3)cn2)cc1 ZINC001204823536 800261981 /nfs/dbraw/zinc/26/19/81/800261981.db2.gz KMEWNIWXPSKDEM-CVEARBPZSA-N 0 3 312.348 2.227 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)CCCF)C[C@H]1c1cccc(F)c1 ZINC001205427376 800356178 /nfs/dbraw/zinc/35/61/78/800356178.db2.gz YOQUQIRBYKWLDF-JKSUJKDBSA-N 0 3 306.356 2.093 20 30 DEEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000934511451 800378285 /nfs/dbraw/zinc/37/82/85/800378285.db2.gz NWYIGVJQXAMZRV-AWEZNQCLSA-N 0 3 300.358 2.232 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CNCc2cnns2)CC1 ZINC001205954408 800449829 /nfs/dbraw/zinc/44/98/29/800449829.db2.gz FVWXTNFGBRVKBP-CHWSQXEVSA-N 0 3 322.478 2.325 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC001205961422 800451440 /nfs/dbraw/zinc/45/14/40/800451440.db2.gz UYUUORSJFPVHAQ-HUUCEWRRSA-N 0 3 318.465 2.207 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(CCOc2ccccc2)C[C@H]1C ZINC001206509024 800545399 /nfs/dbraw/zinc/54/53/99/800545399.db2.gz CLOFCGOTEBIXDE-NVXWUHKLSA-N 0 3 302.418 2.468 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001206868575 800610270 /nfs/dbraw/zinc/61/02/70/800610270.db2.gz VIOITVNMAGXCQD-UKRRQHHQSA-N 0 3 310.413 2.423 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C ZINC001206939699 800635607 /nfs/dbraw/zinc/63/56/07/800635607.db2.gz PQUCYXXHVJJNJH-IAGOWNOFSA-N 0 3 308.466 2.145 20 30 DEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001207094055 800682389 /nfs/dbraw/zinc/68/23/89/800682389.db2.gz SWDVYKDUXVSUML-JFIYKMOQSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCN(CCN1CC[C@@H](O)[C@H](F)CC1)C(=O)OC(C)(C)C ZINC001207199720 800706964 /nfs/dbraw/zinc/70/69/64/800706964.db2.gz RFKWTNUGLPYFQB-ZIAGYGMSSA-N 0 3 316.417 2.204 20 30 DEEDHN C=CCN(CCN1CCN(C(C)C)CC1)C(=O)OC(C)(C)C ZINC001207199773 800707657 /nfs/dbraw/zinc/70/76/57/800707657.db2.gz SMNUVBRGDPSOFP-UHFFFAOYSA-N 0 3 311.470 2.436 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001207421461 800748988 /nfs/dbraw/zinc/74/89/88/800748988.db2.gz UFRYPIPEKBVSFY-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(CC)CC)C1 ZINC001207629453 800794069 /nfs/dbraw/zinc/79/40/69/800794069.db2.gz QYVXVBRKPAILGA-ZBFHGGJFSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](NCc2ccc(OC)nc2)C1 ZINC001207634989 800794650 /nfs/dbraw/zinc/79/46/50/800794650.db2.gz HGTQENZFWYCGPG-HNNXBMFYSA-N 0 3 303.406 2.137 20 30 DEEDHN Cc1nocc1CNC1(CNC(=O)[C@@H](C)C#N)CCCCC1 ZINC001115451611 800823173 /nfs/dbraw/zinc/82/31/73/800823173.db2.gz AEONRCSLKODDGD-LBPRGKRZSA-N 0 3 304.394 2.051 20 30 DEEDHN C=CCOCCCC(=O)N1CCC[C@@H](NCc2ccccn2)C1 ZINC001207759077 800824442 /nfs/dbraw/zinc/82/44/42/800824442.db2.gz OJSVKHXFSXBMRV-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@H](NCc2cncc(F)c2)C1 ZINC001207860664 800850620 /nfs/dbraw/zinc/85/06/20/800850620.db2.gz OVRDEMVVLSRSIA-KRWDZBQOSA-N 0 3 317.408 2.495 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001208213595 800932243 /nfs/dbraw/zinc/93/22/43/800932243.db2.gz SHZDDUFCOCPKGX-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001208260640 800943039 /nfs/dbraw/zinc/94/30/39/800943039.db2.gz AGUIPILJHRONCY-CVEARBPZSA-N 0 3 323.481 2.228 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001208294375 800947788 /nfs/dbraw/zinc/94/77/88/800947788.db2.gz FJNYGZPQAIKKLU-GDBMZVCRSA-N 0 3 318.465 2.001 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001208388062 800973109 /nfs/dbraw/zinc/97/31/09/800973109.db2.gz GDFMCGMLZSBALL-BFYDXBDKSA-N 0 3 318.465 2.001 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001208961746 801102911 /nfs/dbraw/zinc/10/29/11/801102911.db2.gz JUXZJVZFHBDINW-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCN1CCCn2nnc(COc3cccnc3)c2C1 ZINC001209158409 801139492 /nfs/dbraw/zinc/13/94/92/801139492.db2.gz NTYUYGCTBJZXBK-UHFFFAOYSA-N 0 3 313.405 2.424 20 30 DEEDHN C[C@@H]1NC=C2C(=O)OCCC2=C1CN(C)Cc1cccc(C#N)c1 ZINC001209337742 801172621 /nfs/dbraw/zinc/17/26/21/801172621.db2.gz LATAVEKWVXGRQR-ZDUSSCGKSA-N 0 3 323.396 2.109 20 30 DEEDHN COc1cc(CN2CCC3SC(=O)C=C3C2)cc(F)c1O ZINC001209527929 801207218 /nfs/dbraw/zinc/20/72/18/801207218.db2.gz QCNPNFYPWCHSJL-ZDUSSCGKSA-N 0 3 309.362 2.314 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001229093096 801221904 /nfs/dbraw/zinc/22/19/04/801221904.db2.gz FYDXZTNMVFXUGN-CRAIPNDOSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001229280633 801250841 /nfs/dbraw/zinc/25/08/41/801250841.db2.gz KSFKBZYKTAHNFF-HZPDHXFCSA-N 0 3 318.417 2.166 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001229817393 801324504 /nfs/dbraw/zinc/32/45/04/801324504.db2.gz PEOQZFKZNPAWQK-UHFFFAOYSA-N 0 3 317.433 2.289 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC001230217579 801372606 /nfs/dbraw/zinc/37/26/06/801372606.db2.gz PIFRVMWNJKMLGJ-UHFFFAOYSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2nc(C)c(C)s2)CC1 ZINC001230279212 801380202 /nfs/dbraw/zinc/38/02/02/801380202.db2.gz HUIBSGQQBYLSHY-UHFFFAOYSA-N 0 3 323.462 2.157 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001230327586 801387231 /nfs/dbraw/zinc/38/72/31/801387231.db2.gz AWEOBYKFILVYOT-NWANDNLSSA-N 0 3 323.462 2.251 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)COCC)CC1 ZINC001230504562 801408304 /nfs/dbraw/zinc/40/83/04/801408304.db2.gz RSAKKWQYEOBOMN-HNNXBMFYSA-N 0 3 314.857 2.478 20 30 DEEDHN CCCCCCCCCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001210823402 801469700 /nfs/dbraw/zinc/46/97/00/801469700.db2.gz ACYPXRCDSHNCBM-OAHLLOKOSA-N 0 3 311.470 2.193 20 30 DEEDHN CC#CCN[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001210906634 801485519 /nfs/dbraw/zinc/48/55/19/801485519.db2.gz SMJPPNKSGUONRG-AWEZNQCLSA-N 0 3 324.380 2.011 20 30 DEEDHN C#CCCN(CCCNC(=O)[C@@H](F)C(C)C)Cc1cccnc1 ZINC001230819830 801502490 /nfs/dbraw/zinc/50/24/90/801502490.db2.gz IRXHMQXDNCYBKX-KRWDZBQOSA-N 0 3 319.424 2.407 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001211355712 801553266 /nfs/dbraw/zinc/55/32/66/801553266.db2.gz VXKRVYGPCIBXLN-INIZCTEOSA-N 0 3 320.408 2.499 20 30 DEEDHN CSCCC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214113978 801677002 /nfs/dbraw/zinc/67/70/02/801677002.db2.gz AYSWFKOXFNMPND-NVXWUHKLSA-N 0 3 316.470 2.228 20 30 DEEDHN C=CCOC(=O)N1CCC[C@]2(CCN(Cc3cnc(C)[nH]3)C2)C1 ZINC001232458574 801886809 /nfs/dbraw/zinc/88/68/09/801886809.db2.gz LNYSRIONGLZNLL-QGZVFWFLSA-N 0 3 318.421 2.329 20 30 DEEDHN Cc1cnoc1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001216197196 801949578 /nfs/dbraw/zinc/94/95/78/801949578.db2.gz MWQJILQBOGPQSD-NVXWUHKLSA-N 0 3 323.396 2.085 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCCN(c2ncccn2)CC1 ZINC001233083133 802022133 /nfs/dbraw/zinc/02/21/33/802022133.db2.gz WZHZIIOWNLSQQP-UHFFFAOYSA-N 0 3 307.401 2.369 20 30 DEEDHN CN(C)c1ccc(CN(C)[C@H]2CC[C@H](O)CC2)c(F)c1C#N ZINC001233098800 802025463 /nfs/dbraw/zinc/02/54/63/802025463.db2.gz NWRYTDKZLIKZOA-HDJSIYSDSA-N 0 3 305.397 2.499 20 30 DEEDHN CC#CCCCC(=O)N1CCO[C@@H]2CN(CC/C=C\CC)C[C@@H]21 ZINC001218503790 802193360 /nfs/dbraw/zinc/19/33/60/802193360.db2.gz NWKKVDXXMILCDG-PZFPIALWSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CC[C@@H]1CCCCO1 ZINC001233946989 802249151 /nfs/dbraw/zinc/24/91/51/802249151.db2.gz GZSLGZJSPGEOTG-SJORKVTESA-N 0 3 306.450 2.282 20 30 DEEDHN CN(C[C@@H]1CCN1CCC[C@@H]1CCOC1)C(=O)C#CC(C)(C)C ZINC001234215419 802327090 /nfs/dbraw/zinc/32/70/90/802327090.db2.gz LFIIXGRJCKPBTA-SJORKVTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccoc2CC)[C@@H](O)C1 ZINC001219539346 802342637 /nfs/dbraw/zinc/34/26/37/802342637.db2.gz HLLVUWIVYZODKI-CVEARBPZSA-N 0 3 320.433 2.363 20 30 DEEDHN CCO[C@H](C)C(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001234310988 802348116 /nfs/dbraw/zinc/34/81/16/802348116.db2.gz KBHSCYIRNSDEDN-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CN(CCC2CCCCC2)C[C@@H]1O ZINC001219596206 802352998 /nfs/dbraw/zinc/35/29/98/802352998.db2.gz KDRODTMYJSHKGS-SJORKVTESA-N 0 3 320.477 2.168 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCCOC ZINC001234510253 802396859 /nfs/dbraw/zinc/39/68/59/802396859.db2.gz WBTMTJHGVOGAPJ-CYBMUJFWSA-N 0 3 302.846 2.334 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220201434 802425361 /nfs/dbraw/zinc/42/53/61/802425361.db2.gz PWXDQNIBVUQVCV-BHOBLMPXSA-N 0 3 308.466 2.496 20 30 DEEDHN C#Cc1ccc(CNC(=O)C[C@@H]2Cc3ccccc3CN2)cc1 ZINC001220382349 802451112 /nfs/dbraw/zinc/45/11/12/802451112.db2.gz VIVSKMNEWVZZPH-IBGZPJMESA-N 0 3 304.393 2.389 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220470153 802464957 /nfs/dbraw/zinc/46/49/57/802464957.db2.gz UIUGCFXKUOCVTO-UAGQMJEPSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001220754249 802492871 /nfs/dbraw/zinc/49/28/71/802492871.db2.gz UEHPMYOWESUYEG-IMJJTQAJSA-N 0 3 320.433 2.362 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@@H](O)C1 ZINC001220755159 802493203 /nfs/dbraw/zinc/49/32/03/802493203.db2.gz FKKYNFVPWNJKQC-KFWWJZLASA-N 0 3 322.474 2.288 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001221054962 802524285 /nfs/dbraw/zinc/52/42/85/802524285.db2.gz PKHYBRQVKYWGFJ-CFVMTHIKSA-N 0 3 322.474 2.440 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2O)CCCCC1 ZINC001221052416 802524330 /nfs/dbraw/zinc/52/43/30/802524330.db2.gz KFCYCJWBDKBTCE-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CC)c2ccc(F)cc2)[C@@H](O)C1 ZINC001221122266 802530987 /nfs/dbraw/zinc/53/09/87/802530987.db2.gz LRHKVXAKZPNCLG-ZACQAIPSSA-N 0 3 320.408 2.057 20 30 DEEDHN C#CCCCC(=O)N1C[C@H]2CCN(CCOCCC(C)C)C[C@H]21 ZINC001221512443 802585399 /nfs/dbraw/zinc/58/53/99/802585399.db2.gz ABJKERBSJYWZFZ-QZTJIDSGSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)C/C=C(\C)C=C)[C@@H]2C1 ZINC001221748174 802609914 /nfs/dbraw/zinc/60/99/14/802609914.db2.gz PKQVJAZENINIFO-LWNNDPPBSA-N 0 3 304.434 2.244 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3ccoc3C)C[C@@H]21 ZINC001222224680 802657021 /nfs/dbraw/zinc/65/70/21/802657021.db2.gz CJYIQDBDKYPTAP-WBVHZDCISA-N 0 3 318.417 2.327 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCCCOCCC=C)C[C@@H]21 ZINC001222680222 802727965 /nfs/dbraw/zinc/72/79/65/802727965.db2.gz WKYIYJUPOVVQHN-MSOLQXFVSA-N 0 3 318.461 2.305 20 30 DEEDHN N#Cc1ccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)nc1 ZINC001222980867 802754847 /nfs/dbraw/zinc/75/48/47/802754847.db2.gz AVQWLAGWNCVKHR-QAQDUYKDSA-N 0 3 301.390 2.113 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001223437143 802790149 /nfs/dbraw/zinc/79/01/49/802790149.db2.gz RJTWTMMYXAGUSS-IAGOWNOFSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cn2c(C)cc3ccccc32)CC1 ZINC001223758153 802813222 /nfs/dbraw/zinc/81/32/22/802813222.db2.gz QJRYXWLQPWFHOK-UHFFFAOYSA-N 0 3 323.440 2.411 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224524388 802879811 /nfs/dbraw/zinc/87/98/11/802879811.db2.gz UVHIZNIVNIFEBC-AWEZNQCLSA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC001225174800 802941696 /nfs/dbraw/zinc/94/16/96/802941696.db2.gz YGHYVOGUBFYMIW-CYBMUJFWSA-N 0 3 304.356 2.426 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccc(C)s2)CC1 ZINC001225557297 802980991 /nfs/dbraw/zinc/98/09/91/802980991.db2.gz KMUARKOTBIEGQN-UHFFFAOYSA-N 0 3 304.459 2.451 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COC2CCC(C)CC2)CC1 ZINC001225652448 802995957 /nfs/dbraw/zinc/99/59/57/802995957.db2.gz GGRRIQDBAREWOG-UHFFFAOYSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCc2cccc(F)c2F)CC1 ZINC001225683670 803002016 /nfs/dbraw/zinc/00/20/16/803002016.db2.gz CEVPSEXVWCMWQW-UHFFFAOYSA-N 0 3 320.383 2.359 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCOCC(F)F ZINC001226288627 803083044 /nfs/dbraw/zinc/08/30/44/803083044.db2.gz MHLJNSVCRBQBDN-VXGBXAGGSA-N 0 3 324.799 2.428 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)(C)C ZINC001226522849 803118947 /nfs/dbraw/zinc/11/89/47/803118947.db2.gz LHKCCSJAPJDPTR-HUUCEWRRSA-N 0 3 323.481 2.274 20 30 DEEDHN C[C@@H](C#N)C(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001226639972 803135115 /nfs/dbraw/zinc/13/51/15/803135115.db2.gz JIOLWWGFMHCLKL-ZDUSSCGKSA-N 0 3 303.381 2.108 20 30 DEEDHN C#CCOCCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001227323004 803231535 /nfs/dbraw/zinc/23/15/35/803231535.db2.gz LZDGLVACMPLVIT-UHFFFAOYSA-N 0 3 320.458 2.177 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC001227796837 803281278 /nfs/dbraw/zinc/28/12/78/803281278.db2.gz BQMDEDAUIVLFAW-UHFFFAOYSA-N 0 3 324.371 2.362 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccnn1C ZINC001227967555 803300234 /nfs/dbraw/zinc/30/02/34/803300234.db2.gz PHVMZVPBONIGKZ-HUUCEWRRSA-N 0 3 304.438 2.149 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)COC2CCCCC2)CC1 ZINC001228148474 803325860 /nfs/dbraw/zinc/32/58/60/803325860.db2.gz GZTLGIVQVSHOQX-UHFFFAOYSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2cc(C(C)C)on2)CC1 ZINC001228501441 803367526 /nfs/dbraw/zinc/36/75/26/803367526.db2.gz XKFZBQLKLVJHSN-UHFFFAOYSA-N 0 3 321.421 2.195 20 30 DEEDHN C[C@H](CCCN[C@@H](C)c1cnccn1)NC(=O)C#CC(C)(C)C ZINC001330814321 1149304002 /nfs/dbraw/zinc/30/40/02/1149304002.db2.gz VTZZAHAYJXJDLS-CABCVRRESA-N 0 3 316.449 2.462 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1CC1(C)C)NCc1ccc(C#N)c(F)c1 ZINC001418211337 1167492526 /nfs/dbraw/zinc/49/25/26/1167492526.db2.gz TVQNIIQPMPUNHW-SMDDNHRTSA-N 0 3 303.381 2.338 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@@H](C)NCc1ccccc1Cl ZINC001331405456 1149436889 /nfs/dbraw/zinc/43/68/89/1149436889.db2.gz KTWNWCGVSACLDJ-CYBMUJFWSA-N 0 3 310.825 2.479 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001331457788 1149467499 /nfs/dbraw/zinc/46/74/99/1149467499.db2.gz GOZJGYKRBDBZBS-KGLIPLIRSA-N 0 3 311.470 2.082 20 30 DEEDHN COCC#CCN[C@H](C)CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001331505989 1149490329 /nfs/dbraw/zinc/49/03/29/1149490329.db2.gz YCXMOKQLIRFAOW-CQSZACIVSA-N 0 3 322.836 2.348 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001370316034 1149525254 /nfs/dbraw/zinc/52/52/54/1149525254.db2.gz CMOSJYITXXFZNF-HUUCEWRRSA-N 0 3 315.889 2.250 20 30 DEEDHN C=CCCC(=O)N1CCN(C2CN(CCC(C)(C)C)C2)CC1 ZINC001328114962 1148723045 /nfs/dbraw/zinc/72/30/45/1148723045.db2.gz VRCHEUCZMHIQAC-UHFFFAOYSA-N 0 3 307.482 2.217 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@H]1CCc2ccc(F)cc21 ZINC001331725997 1149639331 /nfs/dbraw/zinc/63/93/31/1149639331.db2.gz RDIFEGWWRFZTQQ-WBVHZDCISA-N 0 3 320.408 2.236 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncnc2C)cc1 ZINC001343291294 1150729713 /nfs/dbraw/zinc/72/97/13/1150729713.db2.gz IVGGWDYJHKTVEN-CQSZACIVSA-N 0 3 308.341 2.309 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H]2OC)cc1 ZINC001343599755 1150756000 /nfs/dbraw/zinc/75/60/00/1150756000.db2.gz PDZKXKKZEZYJLB-KFWWJZLASA-N 0 3 316.357 2.158 20 30 DEEDHN CC#CC[C@@H](N)C(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC001574963278 1069311115 /nfs/dbraw/zinc/31/11/15/1069311115.db2.gz SMHAPESHAUCAPU-CYBMUJFWSA-N 0 3 321.218 2.340 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CSc2ccccc2O1 ZINC001343715219 1150765864 /nfs/dbraw/zinc/76/58/64/1150765864.db2.gz UHMIHILLBHXHNS-STQMWFEESA-N 0 3 306.431 2.340 20 30 DEEDHN COC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC001343810174 1150774558 /nfs/dbraw/zinc/77/45/58/1150774558.db2.gz YOSLTWADNHPWRS-CABCVRRESA-N 0 3 307.369 2.041 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cnccc1C(F)(F)F ZINC001344092024 1150796491 /nfs/dbraw/zinc/79/64/91/1150796491.db2.gz HAZDGDZSTMPVEL-LBPRGKRZSA-N 0 3 301.312 2.400 20 30 DEEDHN C=C(CC)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001346247806 1150958680 /nfs/dbraw/zinc/95/86/80/1150958680.db2.gz QAOZZHAUQGUQHE-UHFFFAOYSA-N 0 3 302.418 2.226 20 30 DEEDHN Cn1ccnc1C(C#N)C(=O)c1ccc(OCC(F)(F)F)cn1 ZINC001346537274 1151002018 /nfs/dbraw/zinc/00/20/18/1151002018.db2.gz JDASGPHCEIOCDR-JTQLQIEISA-N 0 3 324.262 2.246 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](CNCc1c[nH]nn1)CC(C)C ZINC001575072635 1069354957 /nfs/dbraw/zinc/35/49/57/1069354957.db2.gz KUGYIKYTOKZGCK-XJKSGUPXSA-N 0 3 307.442 2.028 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001522859821 1069488016 /nfs/dbraw/zinc/48/80/16/1069488016.db2.gz XVYOTZMIZSSFDX-SRVKXCTJSA-N 0 3 321.343 2.014 20 30 DEEDHN C=CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001328468592 1148800275 /nfs/dbraw/zinc/80/02/75/1148800275.db2.gz NLTWTRYQROIQEZ-MSOLQXFVSA-N 0 3 315.461 2.228 20 30 DEEDHN C=C(C)CN1CCN(CCCCCNC(=O)C=C(C)C)CC1 ZINC001328491904 1148802108 /nfs/dbraw/zinc/80/21/08/1148802108.db2.gz KPMHKHAGUZWZGF-UHFFFAOYSA-N 0 3 307.482 2.433 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001524174967 1069842168 /nfs/dbraw/zinc/84/21/68/1069842168.db2.gz SKQBNDMGFGLHFO-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C)C2)n1CC(C)C ZINC001524837395 1070036588 /nfs/dbraw/zinc/03/65/88/1070036588.db2.gz JEMITWIYLRPLJR-CABCVRRESA-N 0 3 303.454 2.201 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC1(F)F ZINC001328686938 1148824192 /nfs/dbraw/zinc/82/41/92/1148824192.db2.gz SDIMCNYJSAGONT-BZUAXINKSA-N 0 3 318.367 2.427 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001527600451 1070513597 /nfs/dbraw/zinc/51/35/97/1070513597.db2.gz YXBMPIRXKBCZQN-RHSMWYFYSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1ccc(CC)cn1 ZINC001328764894 1148833092 /nfs/dbraw/zinc/83/30/92/1148833092.db2.gz GIUVXOAEJAUGBB-QGZVFWFLSA-N 0 3 301.434 2.295 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001328780254 1148834175 /nfs/dbraw/zinc/83/41/75/1148834175.db2.gz LXNAQFGFLRMZPO-KBPBESRZSA-N 0 3 316.449 2.257 20 30 DEEDHN C#CCSCC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001529551168 1070981982 /nfs/dbraw/zinc/98/19/82/1070981982.db2.gz VRXSZQLHZXZXFA-SJORKVTESA-N 0 3 314.454 2.086 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(C)Cc1ccc(OC)nc1 ZINC001566481521 1072611352 /nfs/dbraw/zinc/61/13/52/1072611352.db2.gz FWMJHBLGGLHENR-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NC(=O)CN1CCC[C@@H]1C ZINC001531218827 1071460863 /nfs/dbraw/zinc/46/08/63/1071460863.db2.gz HCTMAXACAKTKEK-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001532013878 1071602741 /nfs/dbraw/zinc/60/27/41/1071602741.db2.gz KFYJQKANSAHWTN-ARFHVFGLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001532145419 1071624062 /nfs/dbraw/zinc/62/40/62/1071624062.db2.gz AUZQNSLWHHGBRB-HOTGVXAUSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NC1(C)CCN(CC#CC)CC1)OCC ZINC001499986925 1058419250 /nfs/dbraw/zinc/41/92/50/1058419250.db2.gz VJUYBJWOTOKNOA-MRXNPFEDSA-N 0 3 306.450 2.352 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)CC[C@H]2CCCCO2)CC1 ZINC001499998044 1058419927 /nfs/dbraw/zinc/41/99/27/1058419927.db2.gz APZPDYSBZLXHOW-MRXNPFEDSA-N 0 3 306.450 2.330 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)C3(CC)CCC3)C2)CC1 ZINC001500018844 1058434189 /nfs/dbraw/zinc/43/41/89/1058434189.db2.gz PWBJUVMFCTYYNP-MRXNPFEDSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN(C(=O)[C@H]1CC1(C)C)C1CCN(CCOC(C)C)CC1 ZINC001500034667 1058445625 /nfs/dbraw/zinc/44/56/25/1058445625.db2.gz SZCQKJYGIHCBGM-QGZVFWFLSA-N 0 3 320.477 2.384 20 30 DEEDHN C=C(C)[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#CC)OCC ZINC001500143673 1058520919 /nfs/dbraw/zinc/52/09/19/1058520919.db2.gz BVHAEHYXHXOYSD-SQNIBIBYSA-N 0 3 318.461 2.446 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001500157779 1058531226 /nfs/dbraw/zinc/53/12/26/1058531226.db2.gz XZLPUMIVIDJHPS-IBGZPJMESA-N 0 3 318.461 2.307 20 30 DEEDHN C#CCOc1ccc(CN[C@H](Cc2ccccc2)C(=O)NC)cc1 ZINC001461435858 1058659671 /nfs/dbraw/zinc/65/96/71/1058659671.db2.gz BNZQOVMHGRULGW-LJQANCHMSA-N 0 3 322.408 2.146 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2csc(CC)n2)C1 ZINC001500292904 1058669157 /nfs/dbraw/zinc/66/91/57/1058669157.db2.gz OOOTUWVRYTVXAF-INIZCTEOSA-N 0 3 307.463 2.405 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(C)n2C)C1 ZINC001500474778 1058824296 /nfs/dbraw/zinc/82/42/96/1058824296.db2.gz ANHSZGOABMTLOE-GOSISDBHSA-N 0 3 301.434 2.189 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001500546873 1058913797 /nfs/dbraw/zinc/91/37/97/1058913797.db2.gz JJUAZGHSRYATLA-QFBILLFUSA-N 0 3 313.445 2.427 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)C[C@H](C)SC)C1 ZINC001500611556 1058958346 /nfs/dbraw/zinc/95/83/46/1058958346.db2.gz VGDKXWPBMSRTRF-QWHCGFSZSA-N 0 3 318.433 2.225 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001500717848 1059035081 /nfs/dbraw/zinc/03/50/81/1059035081.db2.gz HCKASWWPKCTHAU-QGZVFWFLSA-N 0 3 322.836 2.391 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001500725975 1059043966 /nfs/dbraw/zinc/04/39/66/1059043966.db2.gz WTJFYLUMPLAKLE-KSSFIOAISA-N 0 3 320.408 2.058 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001500766838 1059073896 /nfs/dbraw/zinc/07/38/96/1059073896.db2.gz UKFWLRFSYJLKSS-KSSFIOAISA-N 0 3 320.408 2.058 20 30 DEEDHN CC#CCCCC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001501227695 1059390861 /nfs/dbraw/zinc/39/08/61/1059390861.db2.gz DCUZTUNMJUYIEA-HDICACEKSA-N 0 3 311.429 2.165 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(C)(C)N(C)CC ZINC001501292896 1059432174 /nfs/dbraw/zinc/43/21/74/1059432174.db2.gz GMXLCEODFVSVHT-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001501607058 1059568659 /nfs/dbraw/zinc/56/86/59/1059568659.db2.gz GHXKLOJZBQGYBW-SNVBAGLBSA-N 0 3 315.826 2.043 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1cnn(CC)c1 ZINC001501661178 1059616331 /nfs/dbraw/zinc/61/63/31/1059616331.db2.gz NTSGZVKYBUORMS-UHFFFAOYSA-N 0 3 324.428 2.288 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCc1ccccc1CN(C)CCO ZINC001501668944 1059622190 /nfs/dbraw/zinc/62/21/90/1059622190.db2.gz UDXXKWZXCHQSEE-GOSISDBHSA-N 0 3 304.434 2.329 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CCc1cccc2c1OCO2 ZINC001467727414 1059691065 /nfs/dbraw/zinc/69/10/65/1059691065.db2.gz FPGARAICRNGGNZ-UHFFFAOYSA-N 0 3 318.417 2.314 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)COc1ccc(F)c(F)c1 ZINC001467728241 1059693879 /nfs/dbraw/zinc/69/38/79/1059693879.db2.gz BBUALYURMQNSLG-UHFFFAOYSA-N 0 3 312.360 2.310 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)c(Cl)cc1N ZINC001468544779 1059805346 /nfs/dbraw/zinc/80/53/46/1059805346.db2.gz CMFUPBDNRJOWSI-UHFFFAOYSA-N 0 3 314.216 2.261 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2ccc3c(c2)CCCC3)CCC1 ZINC001502024145 1059875652 /nfs/dbraw/zinc/87/56/52/1059875652.db2.gz PNXPOEUUARCKEE-UHFFFAOYSA-N 0 3 310.441 2.370 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(C3CC3)cc2)CCO1 ZINC001502094599 1059923548 /nfs/dbraw/zinc/92/35/48/1059923548.db2.gz KBYOJPVSCSBSAQ-SFHVURJKSA-N 0 3 312.413 2.018 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001502125080 1059964417 /nfs/dbraw/zinc/96/44/17/1059964417.db2.gz ZPUNKVFEQGOOAP-HKUYNNGSSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001534122302 1071932672 /nfs/dbraw/zinc/93/26/72/1071932672.db2.gz POSSMSRYRBLMLG-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccnc(OC)c2)C1 ZINC001502719761 1060246860 /nfs/dbraw/zinc/24/68/60/1060246860.db2.gz VTVSNKBUSKTCFZ-GOEBONIOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)C[C@@H](C)c2ccco2)CC1 ZINC001505390903 1060520898 /nfs/dbraw/zinc/52/08/98/1060520898.db2.gz GYJKENIICAGICD-OAHLLOKOSA-N 0 3 320.433 2.292 20 30 DEEDHN C=CCCC(=O)N1CCC(CN(CC)Cc2n[nH]c(C)n2)CC1 ZINC001505394597 1060523616 /nfs/dbraw/zinc/52/36/16/1060523616.db2.gz IREFYRYLNWXBQW-UHFFFAOYSA-N 0 3 319.453 2.140 20 30 DEEDHN CN(C)CC#CCNc1nc(-c2ccncc2)nc2ccccc21 ZINC001472850351 1060595417 /nfs/dbraw/zinc/59/54/17/1060595417.db2.gz VHCBSXHVNURSQN-UHFFFAOYSA-N 0 3 317.396 2.091 20 30 DEEDHN CCOc1ccc2c(c1)CN(C[C@@H](O)CC1(C#N)CC1)CC2 ZINC001473125425 1060653528 /nfs/dbraw/zinc/65/35/28/1060653528.db2.gz ZIJMQGMNJWWOCJ-INIZCTEOSA-N 0 3 300.402 2.498 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CCCC1 ZINC001505543757 1060691303 /nfs/dbraw/zinc/69/13/03/1060691303.db2.gz CJWRANXZPRFBTN-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCOCCN1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001473732672 1060720202 /nfs/dbraw/zinc/72/02/02/1060720202.db2.gz NKXVPLDWISIQOO-UHFFFAOYSA-N 0 3 310.438 2.358 20 30 DEEDHN CC(C)OCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001505569677 1060722355 /nfs/dbraw/zinc/72/23/55/1060722355.db2.gz GNFULFSQVARGJD-NEPJUHHUSA-N 0 3 309.435 2.028 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC001473788691 1060728525 /nfs/dbraw/zinc/72/85/25/1060728525.db2.gz RYLHSHDDANDPLI-OAHLLOKOSA-N 0 3 313.401 2.297 20 30 DEEDHN COc1cc(CN[C@H](C)[C@H](C)NC(=O)C#CC(C)(C)C)ccn1 ZINC001505603511 1060767480 /nfs/dbraw/zinc/76/74/80/1060767480.db2.gz WZMRGUBCCOPGPA-KGLIPLIRSA-N 0 3 317.433 2.123 20 30 DEEDHN Cc1nsc(C)c1CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)C ZINC001505603439 1060768214 /nfs/dbraw/zinc/76/82/14/1060768214.db2.gz WCSNGVGZHWANTC-NWDGAFQWSA-N 0 3 307.463 2.402 20 30 DEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CCOCC2)C1 ZINC001474177431 1060828662 /nfs/dbraw/zinc/82/86/62/1060828662.db2.gz LAYMFPGICLWCDU-MSOLQXFVSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001505937200 1061153818 /nfs/dbraw/zinc/15/38/18/1061153818.db2.gz AHONMMUPXVISQY-CJNGLKHVSA-N 0 3 302.418 2.348 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001479227308 1061297953 /nfs/dbraw/zinc/29/79/53/1061297953.db2.gz HOUJXEPRQARAGY-JZXOWHBKSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2C[C@H](NCc3ccnn3C)C2)CCC1 ZINC001479393580 1061437802 /nfs/dbraw/zinc/43/78/02/1061437802.db2.gz SXKJGOYVOPLZAS-SHTZXODSSA-N 0 3 316.449 2.151 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1C[C@H](NCC(=C)Cl)C1 ZINC001479410237 1061444857 /nfs/dbraw/zinc/44/48/57/1061444857.db2.gz DTBMMVPHUQUMBY-CZIWCDLHSA-N 0 3 316.832 2.447 20 30 DEEDHN Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)C#CC3CC3)C2)o1 ZINC001479447593 1061461272 /nfs/dbraw/zinc/46/12/72/1061461272.db2.gz QWSZADRSOFYXMB-JKSUJKDBSA-N 0 3 315.417 2.079 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001479497036 1061479023 /nfs/dbraw/zinc/47/90/23/1061479023.db2.gz SGDYNIZZJRKMDD-VNHYZAJKSA-N 0 3 324.856 2.151 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001479684563 1061597430 /nfs/dbraw/zinc/59/74/30/1061597430.db2.gz IFYDFDUTFPWFAF-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCC(=O)NCC=C)C1 ZINC001479691228 1061603320 /nfs/dbraw/zinc/60/33/20/1061603320.db2.gz XPJBIIZZMMBLBK-MRXNPFEDSA-N 0 3 321.465 2.006 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCOc2ccc(F)cc2)[C@H]1C ZINC001479717635 1061637878 /nfs/dbraw/zinc/63/78/78/1061637878.db2.gz LGRPFHHSJOPQFH-CJNGLKHVSA-N 0 3 306.381 2.360 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1snnc1CC ZINC001479736524 1061659225 /nfs/dbraw/zinc/65/92/25/1061659225.db2.gz INZVONKVSHMUNL-LBPRGKRZSA-N 0 3 308.451 2.213 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)CCc1ccccc1C ZINC001479798371 1061791247 /nfs/dbraw/zinc/79/12/47/1061791247.db2.gz VRGYAXKEXPGQOZ-UHFFFAOYSA-N 0 3 316.445 2.016 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccn(C)n1 ZINC001479825545 1061844986 /nfs/dbraw/zinc/84/49/86/1061844986.db2.gz VXVIDFHFEKPNIE-DZGCQCFKSA-N 0 3 324.856 2.074 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1c(C)cnn1C ZINC001479828848 1061851282 /nfs/dbraw/zinc/85/12/82/1061851282.db2.gz FTZFJRCIDMPWNL-UONOGXRCSA-N 0 3 324.856 2.454 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccn(C)c1CC)C1CC1 ZINC001479877054 1061972087 /nfs/dbraw/zinc/97/20/87/1061972087.db2.gz YMAUKYQXBKCTMR-UHFFFAOYSA-N 0 3 301.434 2.195 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001479953123 1062100802 /nfs/dbraw/zinc/10/08/02/1062100802.db2.gz BSWMQWBDQOIEPT-AWEZNQCLSA-N 0 3 320.437 2.260 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC001506601994 1062179102 /nfs/dbraw/zinc/17/91/02/1062179102.db2.gz SZRWVPQUIQMRST-CHWSQXEVSA-N 0 3 319.836 2.479 20 30 DEEDHN CC[C@H](F)C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001480040745 1062226325 /nfs/dbraw/zinc/22/63/25/1062226325.db2.gz QDAQJGMVLPPRAE-IRXDYDNUSA-N 0 3 302.393 2.271 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC001480040744 1062226999 /nfs/dbraw/zinc/22/69/99/1062226999.db2.gz QDAQJGMVLPPRAE-IAGOWNOFSA-N 0 3 302.393 2.271 20 30 DEEDHN C=CCCC(=O)NC[C@@]1(C)CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001506697141 1062290778 /nfs/dbraw/zinc/29/07/78/1062290778.db2.gz VEQMSHJSMXWWPE-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CN(C)CCF)C1 ZINC001480083336 1062297616 /nfs/dbraw/zinc/29/76/16/1062297616.db2.gz CDSWHIOTZRBZAE-PMPSAXMXSA-N 0 3 312.429 2.108 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)C1 ZINC001480118916 1062347130 /nfs/dbraw/zinc/34/71/30/1062347130.db2.gz OJEKFPSFJDFSGA-NSHDSACASA-N 0 3 312.200 2.216 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cncc2[nH]cnc21 ZINC001506920705 1062524623 /nfs/dbraw/zinc/52/46/23/1062524623.db2.gz LJMQJTWCMFSJIK-LLVKDONJSA-N 0 3 321.812 2.199 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001480327302 1062656428 /nfs/dbraw/zinc/65/64/28/1062656428.db2.gz CCIAXDNFKWDXGB-HOTGVXAUSA-N 0 3 304.438 2.381 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(COC)CCCCC2)C1 ZINC001480380689 1062762063 /nfs/dbraw/zinc/76/20/63/1062762063.db2.gz WROJLSOVWMYFSE-IRXDYDNUSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2cccnc2C)C1 ZINC001480383569 1062764290 /nfs/dbraw/zinc/76/42/90/1062764290.db2.gz QCJHIMUCCHPJJP-SJLPKXTDSA-N 0 3 313.445 2.173 20 30 DEEDHN Cc1nocc1C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001507118743 1062867261 /nfs/dbraw/zinc/86/72/61/1062867261.db2.gz RAQXQQVWUBPESV-CQSZACIVSA-N 0 3 311.385 2.085 20 30 DEEDHN CCn1ccc(C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)n1 ZINC001507128459 1062885150 /nfs/dbraw/zinc/88/51/50/1062885150.db2.gz BXYGQXBGAGWUHO-INIZCTEOSA-N 0 3 324.428 2.005 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CC1CCCCCC1 ZINC001480542773 1063007233 /nfs/dbraw/zinc/00/72/33/1063007233.db2.gz GERFZCVVTVGWRA-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2ccns2)[C@H]1C ZINC001507276113 1063019580 /nfs/dbraw/zinc/01/95/80/1063019580.db2.gz YVTZKXFBPOYNGX-UKRRQHHQSA-N 0 3 323.462 2.205 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001480601065 1063093632 /nfs/dbraw/zinc/09/36/32/1063093632.db2.gz KNWXVSZFWXUTRE-SJLPKXTDSA-N 0 3 306.450 2.257 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(F)cc3ccncc32)C1 ZINC001480614568 1063105678 /nfs/dbraw/zinc/10/56/78/1063105678.db2.gz AFIFCAKNWPMXGG-HNNXBMFYSA-N 0 3 311.360 2.201 20 30 DEEDHN C=CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001480686229 1063186072 /nfs/dbraw/zinc/18/60/72/1063186072.db2.gz MDNDQWWRBZFBRH-GJZGRUSLSA-N 0 3 318.417 2.225 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](NCC(=O)N(CC)CC)C(C)(C)C1 ZINC001507444510 1063292657 /nfs/dbraw/zinc/29/26/57/1063292657.db2.gz VTVCTIWVSMKSQO-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001480773729 1063325741 /nfs/dbraw/zinc/32/57/41/1063325741.db2.gz OOTMNSAUOLONMD-GFCCVEGCSA-N 0 3 310.829 2.070 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1cc(C)ncn1 ZINC001480784088 1063337729 /nfs/dbraw/zinc/33/77/29/1063337729.db2.gz RCIXRAGIIGJTJC-CYBMUJFWSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCCn1c(CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001507591174 1063352001 /nfs/dbraw/zinc/35/20/01/1063352001.db2.gz LEXKMOPNCDXKKC-UHFFFAOYSA-N 0 3 315.465 2.319 20 30 DEEDHN C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001480825649 1063409604 /nfs/dbraw/zinc/40/96/04/1063409604.db2.gz INGXWLGQYIEFER-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001480825649 1063409613 /nfs/dbraw/zinc/40/96/13/1063409613.db2.gz INGXWLGQYIEFER-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCc2cccnc21)C(C)C ZINC001507827918 1063430288 /nfs/dbraw/zinc/43/02/88/1063430288.db2.gz ITLWGCLNNDUVHO-QGZVFWFLSA-N 0 3 313.445 2.304 20 30 DEEDHN Cc1ncsc1CNCCC(=O)Nc1cccc(C#N)c1 ZINC001329141889 1148868773 /nfs/dbraw/zinc/86/87/73/1148868773.db2.gz ODXVVZRLZUICQG-UHFFFAOYSA-N 0 3 300.387 2.442 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)CC2CCC(OC)CC2)CC1 ZINC001508069652 1063534527 /nfs/dbraw/zinc/53/45/27/1063534527.db2.gz ZWIQWIHGHDPXQR-KLHKWILBSA-N 0 3 320.477 2.432 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)CCc3nccs3)CC2)CC1 ZINC001508161689 1063587278 /nfs/dbraw/zinc/58/72/78/1063587278.db2.gz FIGDASQPQLQEPQ-UHFFFAOYSA-N 0 3 317.458 2.070 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)Cc3ccco3)CC2)CC1 ZINC001508165504 1063589199 /nfs/dbraw/zinc/58/91/99/1063589199.db2.gz KFZDTSWXDSPQMD-OAHLLOKOSA-N 0 3 314.429 2.452 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](OCC)c1ccccc1 ZINC001493159413 1063608290 /nfs/dbraw/zinc/60/82/90/1063608290.db2.gz CJIZSRFSQFOFMR-QZTJIDSGSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001508216801 1063614402 /nfs/dbraw/zinc/61/44/02/1063614402.db2.gz VIJIQJBTJVTQDN-OKZBNKHCSA-N 0 3 318.461 2.374 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN(Cc2oc(C)nc2C)C1 ZINC001493225234 1063651839 /nfs/dbraw/zinc/65/18/39/1063651839.db2.gz FYSNPHBBAVKKQP-CQSZACIVSA-N 0 3 305.422 2.442 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001493337593 1063724437 /nfs/dbraw/zinc/72/44/37/1063724437.db2.gz TXRDGKMQBCUXOG-UHFFFAOYSA-N 0 3 304.438 2.238 20 30 DEEDHN C#CCCCC(=O)NCCN(C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC001493364590 1063749177 /nfs/dbraw/zinc/74/91/77/1063749177.db2.gz YFMZGQUPIJNKFI-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001508610338 1063777956 /nfs/dbraw/zinc/77/79/56/1063777956.db2.gz XOUCFJBHFVWUIS-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN COC1(CC(=O)N(C)CCNCc2ccc(C#N)s2)CCC1 ZINC001493525809 1063850350 /nfs/dbraw/zinc/85/03/50/1063850350.db2.gz CHZFOVZDPYTGSQ-UHFFFAOYSA-N 0 3 321.446 2.127 20 30 DEEDHN C=CCCCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001509051848 1063941825 /nfs/dbraw/zinc/94/18/25/1063941825.db2.gz RECCYDZFFLNNBW-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)n2cccn2)C1 ZINC001493939531 1064032518 /nfs/dbraw/zinc/03/25/18/1064032518.db2.gz MXSBIMYSBKZFQZ-CVEARBPZSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(CCC)C(=O)CN(C)CCC)C1 ZINC001493974831 1064055907 /nfs/dbraw/zinc/05/59/07/1064055907.db2.gz UQKVAXATFUEVDA-HNNXBMFYSA-N 0 3 315.889 2.394 20 30 DEEDHN Cc1cc(CN2CC[C@@H](CCNC(=O)C#CC(C)C)C2)sn1 ZINC001494013702 1064082462 /nfs/dbraw/zinc/08/24/62/1064082462.db2.gz KETJDUDSGFUUNC-OAHLLOKOSA-N 0 3 319.474 2.439 20 30 DEEDHN C#Cc1ccc(C(=O)NCCN(C)[C@H](C)c2ccccc2)cn1 ZINC001567314232 1064141701 /nfs/dbraw/zinc/14/17/01/1064141701.db2.gz MCRLIDPCDLCYKT-OAHLLOKOSA-N 0 3 307.397 2.486 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCCC[C@H]1n1cccn1 ZINC001567335361 1064150672 /nfs/dbraw/zinc/15/06/72/1064150672.db2.gz TWAXVUSZVPKCRD-HZPDHXFCSA-N 0 3 304.438 2.239 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)/C=C\c1ccco1 ZINC001567358634 1064157414 /nfs/dbraw/zinc/15/74/14/1064157414.db2.gz XJKGVFUQXLAMQK-ZPIQOJFGSA-N 0 3 304.390 2.076 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001567364588 1064162130 /nfs/dbraw/zinc/16/21/30/1064162130.db2.gz IBITZOFOROYUKA-JKSUJKDBSA-N 0 3 300.402 2.147 20 30 DEEDHN C=CCC1(C(=O)NC[C@H]2CCCN2C[C@H](C)O)CCCCC1 ZINC001567386513 1064173515 /nfs/dbraw/zinc/17/35/15/1064173515.db2.gz IKUFEFMJLDVQJB-JKSUJKDBSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001494298214 1064204955 /nfs/dbraw/zinc/20/49/55/1064204955.db2.gz DDJVGVNMYABPEK-QZTJIDSGSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCN(CCNC(=O)c1c(C)nn(CC)c1Cl)C1CC1 ZINC001567454361 1064205936 /nfs/dbraw/zinc/20/59/36/1064205936.db2.gz QNLMDPUDNSHEBW-UHFFFAOYSA-N 0 3 310.829 2.245 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cnsn2)C1 ZINC001494310960 1064209207 /nfs/dbraw/zinc/20/92/07/1064209207.db2.gz WMSZZBBWSHVXJT-ZDUSSCGKSA-N 0 3 308.451 2.479 20 30 DEEDHN CC/C(C)=C\C(=O)N(C)CCNCc1ccc(OC)c(C#N)c1 ZINC001567491520 1064223417 /nfs/dbraw/zinc/22/34/17/1064223417.db2.gz CSNPVCXJWRDDND-UVTDQMKNSA-N 0 3 315.417 2.471 20 30 DEEDHN CN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC[C@H](F)C1 ZINC001567551253 1064249080 /nfs/dbraw/zinc/24/90/80/1064249080.db2.gz YIHVGVNEDDWGMK-ZFWWWQNUSA-N 0 3 321.371 2.384 20 30 DEEDHN Cc1ncccc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001567553639 1064249978 /nfs/dbraw/zinc/24/99/78/1064249978.db2.gz TWMDQBQJBVCMPC-UHFFFAOYSA-N 0 3 314.414 2.185 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCOc2ccc(C)cc2C)C1 ZINC001494558008 1064315485 /nfs/dbraw/zinc/31/54/85/1064315485.db2.gz VMQJSEKJUKPLIQ-UHFFFAOYSA-N 0 3 314.429 2.144 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](CC(C)C)OC)C1 ZINC001567688664 1064344787 /nfs/dbraw/zinc/34/47/87/1064344787.db2.gz OMHCCMQNADKMND-DLBZAZTESA-N 0 3 308.466 2.384 20 30 DEEDHN O=C(NCC[C@H]1CCN(CC#Cc2ccccc2)C1)c1cocn1 ZINC001567695242 1064352920 /nfs/dbraw/zinc/35/29/20/1064352920.db2.gz YXMULBCYXUZYMZ-KRWDZBQOSA-N 0 3 323.396 2.168 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2ccc3ccccc3c2)C1 ZINC001494627252 1064365959 /nfs/dbraw/zinc/36/59/59/1064365959.db2.gz PBFGSQFZDCKDNO-UHFFFAOYSA-N 0 3 306.409 2.454 20 30 DEEDHN O=C(C#CC1CC1)NCC1CN(CCc2ccc(Cl)cc2)C1 ZINC001567829367 1064446961 /nfs/dbraw/zinc/44/69/61/1064446961.db2.gz OTMWHELSQVTIAV-UHFFFAOYSA-N 0 3 316.832 2.344 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@H]1CCCN1CCC ZINC001494761666 1064456136 /nfs/dbraw/zinc/45/61/36/1064456136.db2.gz XCPNUHWJMTUNQA-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001494852118 1064516677 /nfs/dbraw/zinc/51/66/77/1064516677.db2.gz JRIQNBIINVTLJE-JKSUJKDBSA-N 0 3 317.433 2.341 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2ccc(CC)cn2)C1 ZINC001567942973 1064547973 /nfs/dbraw/zinc/54/79/73/1064547973.db2.gz WDRNVBSERYWQKE-GOSISDBHSA-N 0 3 313.445 2.133 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001567943624 1064553053 /nfs/dbraw/zinc/55/30/53/1064553053.db2.gz DHKBWVBZICGUDI-WBVHZDCISA-N 0 3 318.465 2.098 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001494905871 1064562685 /nfs/dbraw/zinc/56/26/85/1064562685.db2.gz RVRLWDWSGQXUDC-KBPBESRZSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC001494905876 1064562758 /nfs/dbraw/zinc/56/27/58/1064562758.db2.gz RVRLWDWSGQXUDC-ZIAGYGMSSA-N 0 3 316.392 2.157 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCCc2nc(C)no2)C1 ZINC001494922407 1064577536 /nfs/dbraw/zinc/57/75/36/1064577536.db2.gz YKGMJRNFTFCEAE-HNNXBMFYSA-N 0 3 320.437 2.200 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccccn1)NCc1ccc(C#N)s1 ZINC001494929677 1064586540 /nfs/dbraw/zinc/58/65/40/1064586540.db2.gz LDGBSEVKXWUDPU-LBPRGKRZSA-N 0 3 314.414 2.313 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNCc2cnnn2CC)CCCC1 ZINC001568000514 1064587778 /nfs/dbraw/zinc/58/77/78/1064587778.db2.gz WKGVLMQKQHMAIU-UHFFFAOYSA-N 0 3 319.453 2.173 20 30 DEEDHN COCC#CCNCc1ccc(CNC(=O)C2=CCCC2)cc1 ZINC001568116692 1064654768 /nfs/dbraw/zinc/65/47/68/1064654768.db2.gz PUGZGEJYVHKZAD-UHFFFAOYSA-N 0 3 312.413 2.153 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](C)Cc2c[nH]cn2)cc1 ZINC001568120808 1064656712 /nfs/dbraw/zinc/65/67/12/1064656712.db2.gz CHFNLHGOWQMGOH-OAHLLOKOSA-N 0 3 324.428 2.018 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)N[C@@H]1CCN(C(C)C)C1=O ZINC001495039977 1064658380 /nfs/dbraw/zinc/65/83/80/1064658380.db2.gz XAFQRGYCGWEHAP-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN CC[C@@H](CNC(=O)c1conc1C)NCC#Cc1ccccc1 ZINC001495049253 1064664609 /nfs/dbraw/zinc/66/46/09/1064664609.db2.gz IRMANOIEDCGBAM-INIZCTEOSA-N 0 3 311.385 2.133 20 30 DEEDHN Cc1cnoc1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001329169713 1148871134 /nfs/dbraw/zinc/87/11/34/1148871134.db2.gz QPOIUGFOTJBWKV-GJZGRUSLSA-N 0 3 311.385 2.131 20 30 DEEDHN C=CCCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)N1CCCCCC1 ZINC001568259427 1064735900 /nfs/dbraw/zinc/73/59/00/1064735900.db2.gz ISJUFNGAIADJFL-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)CC(C)(C)CC)C1=O ZINC001568275230 1064745797 /nfs/dbraw/zinc/74/57/97/1064745797.db2.gz YMGVWXHPMUDLKD-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001568320090 1064774760 /nfs/dbraw/zinc/77/47/60/1064774760.db2.gz ASSFNJFBZHNAFT-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2cc(OC)no2)[C@@H](C)C1 ZINC001568362402 1064805735 /nfs/dbraw/zinc/80/57/35/1064805735.db2.gz FRCLDCRKSAXIIK-DZGCQCFKSA-N 0 3 321.421 2.366 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(C)n(C)n2)C1 ZINC001568404501 1064842695 /nfs/dbraw/zinc/84/26/95/1064842695.db2.gz IGCOGPKAZUWQPH-HZPDHXFCSA-N 0 3 318.465 2.411 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001568481577 1064903416 /nfs/dbraw/zinc/90/34/16/1064903416.db2.gz UBRCHVIQYDTMGH-SFHVURJKSA-N 0 3 304.434 2.212 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC001568495092 1064913830 /nfs/dbraw/zinc/91/38/30/1064913830.db2.gz YFFTYAABKAIPTF-UHFFFAOYSA-N 0 3 311.429 2.432 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc2nsnc21 ZINC001568553829 1064961282 /nfs/dbraw/zinc/96/12/82/1064961282.db2.gz AHMFOWXSFGWSHW-UHFFFAOYSA-N 0 3 304.419 2.271 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(-n2cccc2)ccn1 ZINC001568554414 1064961536 /nfs/dbraw/zinc/96/15/36/1064961536.db2.gz QQQCCFIVLNGNOH-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC001618814397 1078159337 /nfs/dbraw/zinc/15/93/37/1078159337.db2.gz VKUKAUDOGREFIC-KRWDZBQOSA-N 0 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CC#CCN1CCC(C)(NC(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001569577311 1065603358 /nfs/dbraw/zinc/60/33/58/1065603358.db2.gz MYXLTOKEPOBWKW-INIZCTEOSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)Oc2ccccn2)CC1 ZINC001569577177 1065604089 /nfs/dbraw/zinc/60/40/89/1065604089.db2.gz HUUZWTKMKHXDDW-AWEZNQCLSA-N 0 3 303.406 2.006 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCCCO1)C1CCN(CC(=C)C)CC1 ZINC001569584121 1065608433 /nfs/dbraw/zinc/60/84/33/1065608433.db2.gz DIMJOJFFEBPCRB-GOSISDBHSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCN(C(=O)C[C@@H]1CCCCO1)C1CCN(CC(=C)C)CC1 ZINC001569584123 1065608473 /nfs/dbraw/zinc/60/84/73/1065608473.db2.gz DIMJOJFFEBPCRB-SFHVURJKSA-N 0 3 318.461 2.448 20 30 DEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001569650489 1065649175 /nfs/dbraw/zinc/64/91/75/1065649175.db2.gz BWHKXHGHYHCWFG-HKUYNNGSSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)CO[C@H]1CCCC[C@H]1CC ZINC001496701484 1065657771 /nfs/dbraw/zinc/65/77/71/1065657771.db2.gz CQLRNVJFKHWJPY-SJORKVTESA-N 0 3 308.466 2.385 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@](C)(CNCc2snnc2C)C1 ZINC001569680343 1065668853 /nfs/dbraw/zinc/66/88/53/1065668853.db2.gz PYYHRJICQHNANF-INIZCTEOSA-N 0 3 322.478 2.387 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001569716287 1065686823 /nfs/dbraw/zinc/68/68/23/1065686823.db2.gz VZSJRCCLLKVASR-KRWDZBQOSA-N 0 3 317.437 2.021 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(N(C)C)nc2)C1 ZINC001569715232 1065687835 /nfs/dbraw/zinc/68/78/35/1065687835.db2.gz DKQWTYKURBERFA-SFHVURJKSA-N 0 3 316.449 2.166 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cnn(CC)c2C)C1 ZINC001569724275 1065691554 /nfs/dbraw/zinc/69/15/54/1065691554.db2.gz SWYSTBSAVIBEDT-SFHVURJKSA-N 0 3 316.449 2.067 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@](C)(C=C)CCOC ZINC001569909698 1065812912 /nfs/dbraw/zinc/81/29/12/1065812912.db2.gz HVDUPOARSMOIHB-JZXOWHBKSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC001570022151 1065886058 /nfs/dbraw/zinc/88/60/58/1065886058.db2.gz OPTZCMANMSBMAV-LSDHHAIUSA-N 0 3 314.857 2.384 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccn(C)n1 ZINC001570028168 1065892183 /nfs/dbraw/zinc/89/21/83/1065892183.db2.gz LYCXZTSGSFHSEA-UHFFFAOYSA-N 0 3 312.417 2.358 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001497099914 1065893952 /nfs/dbraw/zinc/89/39/52/1065893952.db2.gz YKQQRMYGQUCFEN-HZPDHXFCSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCOCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001570050792 1065903768 /nfs/dbraw/zinc/90/37/68/1065903768.db2.gz MVNRIWBZWPBVFJ-UHFFFAOYSA-N 0 3 320.355 2.066 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001570080698 1065915839 /nfs/dbraw/zinc/91/58/39/1065915839.db2.gz SBQIKZYRMFUASV-MRXNPFEDSA-N 0 3 320.408 2.499 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)CCC1 ZINC001570125394 1065934250 /nfs/dbraw/zinc/93/42/50/1065934250.db2.gz WRIGQEPTWQJNQO-HNNXBMFYSA-N 0 3 302.805 2.241 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001570165956 1065946006 /nfs/dbraw/zinc/94/60/06/1065946006.db2.gz VNWKHDMVXHHWDB-KRWDZBQOSA-N 0 3 305.466 2.137 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001570172810 1065950586 /nfs/dbraw/zinc/95/05/86/1065950586.db2.gz GNUNRLVDUCDZRZ-HNNXBMFYSA-N 0 3 320.477 2.289 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)CCC2(C)CC2)CC1 ZINC001570185903 1065964077 /nfs/dbraw/zinc/96/40/77/1065964077.db2.gz UYHXCCSYKZJPBU-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C(C)(C)C1CCC1 ZINC001570204227 1065971217 /nfs/dbraw/zinc/97/12/17/1065971217.db2.gz JHAXNQAFIXYJIS-UHFFFAOYSA-N 0 3 308.466 2.243 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1cnc(C(C)C)nc1C ZINC001570211640 1065974322 /nfs/dbraw/zinc/97/43/22/1065974322.db2.gz CISLBCGPIYKFFW-UHFFFAOYSA-N 0 3 316.449 2.326 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H](C)[C@H](NCc2cncc(F)c2)C1 ZINC001570337096 1066019590 /nfs/dbraw/zinc/01/95/90/1066019590.db2.gz QRKVWAHINXHSQD-WMLDXEAASA-N 0 3 317.408 2.351 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)CCCC(=O)NCCC)C(C)(C)C1 ZINC001570399772 1066051217 /nfs/dbraw/zinc/05/12/17/1066051217.db2.gz KJOFDHQDDNUQNG-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(O)(CNCC(=C)Cl)CC1 ZINC001570418881 1066056435 /nfs/dbraw/zinc/05/64/35/1066056435.db2.gz FFEKEFMNYRVAFH-CQSZACIVSA-N 0 3 314.857 2.284 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1nc(Cl)sc1Cl ZINC001497437175 1066092692 /nfs/dbraw/zinc/09/26/92/1066092692.db2.gz RFTONALQQVGSOA-UHFFFAOYSA-N 0 3 306.218 2.135 20 30 DEEDHN CCN(CCNCc1cccnc1C)C(=O)C#CC(C)(C)C ZINC001497389916 1066066583 /nfs/dbraw/zinc/06/65/83/1066066583.db2.gz BQGZBILJUBUTIQ-UHFFFAOYSA-N 0 3 301.434 2.378 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001570495040 1066096110 /nfs/dbraw/zinc/09/61/10/1066096110.db2.gz SGQUXZPBSZGQJT-HZPDHXFCSA-N 0 3 308.466 2.332 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)COCC)C1 ZINC001327300032 1148517685 /nfs/dbraw/zinc/51/76/85/1148517685.db2.gz SDOLVIGHMVXQTC-IAGOWNOFSA-N 0 3 306.450 2.139 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)/C=C\c1ccc[nH]1 ZINC001570519345 1066103154 /nfs/dbraw/zinc/10/31/54/1066103154.db2.gz KGWYMPBUPGKUQA-HPTYGODWSA-N 0 3 319.408 2.423 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc(N2CCCC2)c1 ZINC001497471873 1066109422 /nfs/dbraw/zinc/10/94/22/1066109422.db2.gz UOEUOUJMVNLCCX-UHFFFAOYSA-N 0 3 313.445 2.362 20 30 DEEDHN C#CCCCC(=O)NC/C=C\CNCc1sc(C)nc1C ZINC001497571684 1066144691 /nfs/dbraw/zinc/14/46/91/1066144691.db2.gz GZBNJFQWDZBJMN-FPLPWBNLSA-N 0 3 305.447 2.325 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001497695502 1066244810 /nfs/dbraw/zinc/24/48/10/1066244810.db2.gz ASFGZWMBWPZOKS-FDICQLOXSA-N 0 3 312.413 2.084 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1Cl)NC(=O)C(C)(F)F ZINC001497774884 1066300659 /nfs/dbraw/zinc/30/06/59/1066300659.db2.gz UBKDXHCHCNCKAR-LLVKDONJSA-N 0 3 314.763 2.441 20 30 DEEDHN CC(C)CC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001575558907 1066349549 /nfs/dbraw/zinc/34/95/49/1066349549.db2.gz NLKQRTKZUUWVNA-IAGOWNOFSA-N 0 3 315.417 2.222 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)Cc1ccco1 ZINC001497945464 1066425920 /nfs/dbraw/zinc/42/59/20/1066425920.db2.gz KTWMUYHWUTYZGY-LLVKDONJSA-N 0 3 303.387 2.050 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC1(F)F ZINC001498274760 1066609298 /nfs/dbraw/zinc/60/92/98/1066609298.db2.gz XJNUYSBLDHCIIK-SMDDNHRTSA-N 0 3 307.344 2.150 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1c[nH]c(Br)c1 ZINC001498339482 1066640749 /nfs/dbraw/zinc/64/07/49/1066640749.db2.gz DIWUGMIAYQZWSD-SECBINFHSA-N 0 3 300.200 2.013 20 30 DEEDHN C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001498311098 1066626414 /nfs/dbraw/zinc/62/64/14/1066626414.db2.gz MFGYYTUUHMNMEC-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001498311098 1066626421 /nfs/dbraw/zinc/62/64/21/1066626421.db2.gz MFGYYTUUHMNMEC-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(OC)c(OC)c1C ZINC001498311157 1066626570 /nfs/dbraw/zinc/62/65/70/1066626570.db2.gz NIQOFVAOQHCJPJ-GFCCVEGCSA-N 0 3 306.406 2.248 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)c1ccccn1 ZINC001498504054 1066749168 /nfs/dbraw/zinc/74/91/68/1066749168.db2.gz DBYOVKUTEUSJME-UHFFFAOYSA-N 0 3 312.211 2.042 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@H](c2ncon2)C1 ZINC001577425907 1066840334 /nfs/dbraw/zinc/84/03/34/1066840334.db2.gz ALIKOVBGDOQYFN-KBPBESRZSA-N 0 3 324.425 2.047 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001577426571 1066840383 /nfs/dbraw/zinc/84/03/83/1066840383.db2.gz RVFRJLVPNSIQFD-HRCADAONSA-N 0 3 323.481 2.334 20 30 DEEDHN Cc1cc(C(=O)N[C@H](CNCC#Cc2ccccc2)C2CC2)no1 ZINC001498724008 1066849392 /nfs/dbraw/zinc/84/93/92/1066849392.db2.gz LKLSIGJSDMFAHW-GOSISDBHSA-N 0 3 323.396 2.133 20 30 DEEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1ccccc1C(=O)OC ZINC001577628854 1066889923 /nfs/dbraw/zinc/88/99/23/1066889923.db2.gz WRBRQUUJCYGQNS-CQSZACIVSA-N 0 3 317.389 2.237 20 30 DEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1ccccc1C(=O)OC ZINC001577628851 1066889941 /nfs/dbraw/zinc/88/99/41/1066889941.db2.gz WRBRQUUJCYGQNS-AWEZNQCLSA-N 0 3 317.389 2.237 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)CCCF)C2CC2)cc1F ZINC001498802931 1066900034 /nfs/dbraw/zinc/90/00/34/1066900034.db2.gz NXSQHLLAVHQTID-MRXNPFEDSA-N 0 3 321.371 2.431 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001499111168 1067102976 /nfs/dbraw/zinc/10/29/76/1067102976.db2.gz BHBWUEQLPHFSLE-LSDHHAIUSA-N 0 3 312.417 2.493 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cc(C)nc3ccccc32)CC1 ZINC001499439515 1067221325 /nfs/dbraw/zinc/22/13/25/1067221325.db2.gz WNOVBPJECQQOQN-UHFFFAOYSA-N 0 3 307.397 2.419 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1ccc(F)c(C)c1 ZINC001483379281 1078494960 /nfs/dbraw/zinc/49/49/60/1078494960.db2.gz TYFRDLURYKBSOR-CQSZACIVSA-N 0 3 308.397 2.387 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(Br)co1 ZINC001483394005 1078504564 /nfs/dbraw/zinc/50/45/64/1078504564.db2.gz VLKZFHSCRGRYMS-SECBINFHSA-N 0 3 301.184 2.278 20 30 DEEDHN COc1ccc([C@@H]2C[C@H]2NC(=O)[C@H](N)CCCCC#N)cc1 ZINC001579240404 1067269000 /nfs/dbraw/zinc/26/90/00/1067269000.db2.gz WNRGJAYUFVRGMO-ARFHVFGLSA-N 0 3 301.390 2.079 20 30 DEEDHN C=CCCC(=O)N1CC[C@]2(CCN(CCOCC(F)F)C2)C1 ZINC001499595606 1067271528 /nfs/dbraw/zinc/27/15/28/1067271528.db2.gz AOWBBXIXWVTUIC-INIZCTEOSA-N 0 3 316.392 2.159 20 30 DEEDHN COCC#CCN1CC[C@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC001499605128 1067275774 /nfs/dbraw/zinc/27/57/74/1067275774.db2.gz ZVOBZGPQUUGAQY-IBGZPJMESA-N 0 3 316.445 2.061 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccnc1N1CCCCC1 ZINC001580050997 1067482987 /nfs/dbraw/zinc/48/29/87/1067482987.db2.gz WDGVRAFBAQQRNX-AWEZNQCLSA-N 0 3 315.421 2.422 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(OCC(F)F)n1 ZINC001580050936 1067483087 /nfs/dbraw/zinc/48/30/87/1067483087.db2.gz SBCMSIVOKCYBBA-SNVBAGLBSA-N 0 3 312.320 2.075 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](NCc3cccc(N)c3)C2=O)cc1 ZINC001580066825 1067488040 /nfs/dbraw/zinc/48/80/40/1067488040.db2.gz WJHZPFUXQCDFEZ-GOSISDBHSA-N 0 3 320.396 2.031 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001267055444 1078532522 /nfs/dbraw/zinc/53/25/22/1078532522.db2.gz NERUOKPJICUHEV-QWHCGFSZSA-N 0 3 308.451 2.079 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)c1cc(F)c[nH]1 ZINC001483481076 1078559068 /nfs/dbraw/zinc/55/90/68/1078559068.db2.gz ZADIXBCRBNTYDS-UHFFFAOYSA-N 0 3 318.190 2.114 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCOCc2ccccc2)C1 ZINC001267114305 1078591680 /nfs/dbraw/zinc/59/16/80/1078591680.db2.gz CPAWWHVNGUWXLP-GOSISDBHSA-N 0 3 314.429 2.149 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@@H]1CC12CC2 ZINC001418414284 1078610949 /nfs/dbraw/zinc/61/09/49/1078610949.db2.gz AAMTZXZBKDRYFG-MNOVXSKESA-N 0 3 301.228 2.180 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H](C)NCc1ncc(C)s1 ZINC001267144635 1078611500 /nfs/dbraw/zinc/61/15/00/1078611500.db2.gz CFWNCLMEMGQBNL-BNOWGMLFSA-N 0 3 323.462 2.027 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001640016527 1078637167 /nfs/dbraw/zinc/63/71/67/1078637167.db2.gz YVLRAUIZOCIYQL-CYBMUJFWSA-N 0 3 306.454 2.486 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC(=O)Nc1ccccc1 ZINC001570624039 1068041927 /nfs/dbraw/zinc/04/19/27/1068041927.db2.gz IDRQTEHETWPFPZ-UONOGXRCSA-N 0 3 317.433 2.320 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](C)N(C)CCc2cnn(C)c2)CC1 ZINC001570734587 1068103505 /nfs/dbraw/zinc/10/35/05/1068103505.db2.gz XWISMNXEMHOXHR-OAHLLOKOSA-N 0 3 318.465 2.146 20 30 DEEDHN CC(C)C#CC(=O)N(C)CC[C@@H](NCc1cnns1)C(C)C ZINC001570775951 1068114519 /nfs/dbraw/zinc/11/45/19/1068114519.db2.gz YRVPQRDSAANIOS-OAHLLOKOSA-N 0 3 322.478 2.160 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001570839930 1068136067 /nfs/dbraw/zinc/13/60/67/1068136067.db2.gz UTVZBFGAMDJTCF-DNVCBOLYSA-N 0 3 316.445 2.259 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CN(CCc2ccnn2C)C1 ZINC001570852301 1068140241 /nfs/dbraw/zinc/14/02/41/1068140241.db2.gz 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1068228581 /nfs/dbraw/zinc/22/85/81/1068228581.db2.gz XSJXMKDUQKAUJA-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C=CCCC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001571379692 1068262169 /nfs/dbraw/zinc/26/21/69/1068262169.db2.gz AYWSIPSHIIACGJ-CQSZACIVSA-N 0 3 315.417 2.470 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)N(C)C[C@@H](C)NCC#CCOC)CC1 ZINC001571414393 1068283264 /nfs/dbraw/zinc/28/32/64/1068283264.db2.gz ONNNTSYZTAIQJM-BRWVUGGUSA-N 0 3 308.466 2.289 20 30 DEEDHN C[C@H](N[C@@H](CO)CNC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC001571429128 1068288599 /nfs/dbraw/zinc/28/85/99/1068288599.db2.gz WVVOWAFXSAKSQM-XJKSGUPXSA-N 0 3 320.408 2.003 20 30 DEEDHN C[C@@H]1[C@H](NCC#Cc2ccccc2)CCN1C(=O)C1=COCCC1 ZINC001571452549 1068298895 /nfs/dbraw/zinc/29/88/95/1068298895.db2.gz OMUXJMAMNBBKGX-VQIMIIECSA-N 0 3 324.424 2.311 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccnn2C2CCCC2)C1 ZINC001571478647 1068332198 /nfs/dbraw/zinc/33/21/98/1068332198.db2.gz GCCDTHVOIRKQNC-GJZGRUSLSA-N 0 3 314.433 2.214 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(F)cc2F)C1 ZINC001571482010 1068337508 /nfs/dbraw/zinc/33/75/08/1068337508.db2.gz YEJIVKDPYJWMNC-CHWSQXEVSA-N 0 3 306.356 2.489 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCC)cc2)C1 ZINC001571492123 1068347965 /nfs/dbraw/zinc/34/79/65/1068347965.db2.gz ZYCUCJVQAFCHLT-GOEBONIOSA-N 0 3 300.402 2.301 20 30 DEEDHN COCC#CCNC[C@@H](C)N(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001649447450 1078702774 /nfs/dbraw/zinc/70/27/74/1078702774.db2.gz BGSXDDRRUJLYGR-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)C1 ZINC001641319054 1078704692 /nfs/dbraw/zinc/70/46/92/1078704692.db2.gz DAFUVUBIUUFSMX-RZIFZGNASA-N 0 3 318.392 2.397 20 30 DEEDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)/C=C\c2ccc(F)cc2)C1 ZINC001641319055 1078704993 /nfs/dbraw/zinc/70/49/93/1078704993.db2.gz DAFUVUBIUUFSMX-WUKHSURWSA-N 0 3 318.392 2.397 20 30 DEEDHN CC1(C)CN(C(=O)C(F)F)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001571551609 1068415752 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COCC[C@H](N)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001573977314 1069139039 /nfs/dbraw/zinc/13/90/39/1069139039.db2.gz AWVGPCHSCDQWKX-SFHVURJKSA-N 0 3 308.381 2.389 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)Cc2ccc(F)cn2)C1 ZINC001267465030 1078876746 /nfs/dbraw/zinc/87/67/46/1078876746.db2.gz BTGYSZICOKADSW-KRWDZBQOSA-N 0 3 317.408 2.099 20 30 DEEDHN Cc1cccnc1C(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483724818 1078882629 /nfs/dbraw/zinc/88/26/29/1078882629.db2.gz DIEMIPFRLDRJLV-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC001574903040 1069292782 /nfs/dbraw/zinc/29/27/82/1069292782.db2.gz KECPBDZRGFRBMI-VXGBXAGGSA-N 0 3 311.476 2.443 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001540832877 1072430856 /nfs/dbraw/zinc/43/08/56/1072430856.db2.gz ZWTQXFPRIPNKIM-PKOBYXMFSA-N 0 3 316.445 2.267 20 30 DEEDHN Cc1oncc1CN(CCCNC(=O)C#CC(C)C)C(C)C ZINC001267501657 1078930422 /nfs/dbraw/zinc/93/04/22/1078930422.db2.gz UZAVNRXJOJENAF-UHFFFAOYSA-N 0 3 305.422 2.359 20 30 DEEDHN CC#CCN(C)CCCNC(=O)COc1c(C)cccc1C ZINC001566514409 1072614545 /nfs/dbraw/zinc/61/45/45/1072614545.db2.gz XCNUCPXAOZRRKF-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](O)CNCc2ccccc2F)CC1 ZINC001272512083 1078940997 /nfs/dbraw/zinc/94/09/97/1078940997.db2.gz ISFLDNDQPFASKV-INIZCTEOSA-N 0 3 320.408 2.139 20 30 DEEDHN C=CCCCC(=O)N(C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001067671124 1078959412 /nfs/dbraw/zinc/95/94/12/1078959412.db2.gz ZJCNDZLTGVPNPW-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNCc2ccn(C)n2)C1 ZINC001272554222 1078960113 /nfs/dbraw/zinc/96/01/13/1078960113.db2.gz DADSATUEPIKWHT-YJBOKZPZSA-N 0 3 318.465 2.351 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001267536092 1078965686 /nfs/dbraw/zinc/96/56/86/1078965686.db2.gz MIHLSKVGHHHRPD-DZGCQCFKSA-N 0 3 319.453 2.359 20 30 DEEDHN COCC#CCN1CC[C@H](CCNC(=O)c2sccc2C)C1 ZINC001267550260 1078980878 /nfs/dbraw/zinc/98/08/78/1078980878.db2.gz 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1079118907 /nfs/dbraw/zinc/11/89/07/1079118907.db2.gz IQKUJSAWYBRQFC-RKOGSIPDSA-N 0 3 305.426 2.013 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)C1(COC)CC1)c1ccccc1 ZINC001649440062 1079119891 /nfs/dbraw/zinc/11/98/91/1079119891.db2.gz ISZKYYVDCFBPJX-INIZCTEOSA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001481047111 1079123342 /nfs/dbraw/zinc/12/33/42/1079123342.db2.gz TVIYMZWLBWSACU-INIZCTEOSA-N 0 3 317.433 2.095 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1sc(C)nc1C ZINC001481048697 1079124223 /nfs/dbraw/zinc/12/42/23/1079124223.db2.gz BNRNYZYFUJVYMA-CQSZACIVSA-N 0 3 307.463 2.459 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C2=CCCC2)CC1 ZINC001483818526 1079131142 /nfs/dbraw/zinc/13/11/42/1079131142.db2.gz PVAGXBDPRXEBSN-UHFFFAOYSA-N 0 3 304.434 2.059 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1csc(C2CC2)n1 ZINC001481061251 1079141407 /nfs/dbraw/zinc/14/14/07/1079141407.db2.gz SXKZTOSGZXSCAG-AWEZNQCLSA-N 0 3 305.447 2.330 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1c(C)cccc1C ZINC001481069023 1079148841 /nfs/dbraw/zinc/14/88/41/1079148841.db2.gz VWFSHEHLFQYNSY-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCOc2c(C)cccc2C)C1 ZINC001481097272 1079179792 /nfs/dbraw/zinc/17/97/92/1079179792.db2.gz YWWAKSXYRHYDCK-KRWDZBQOSA-N 0 3 314.429 2.144 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001481112159 1079195458 /nfs/dbraw/zinc/19/54/58/1079195458.db2.gz HKNUOMQIPQCLIX-DOTOQJQBSA-N 0 3 306.450 2.186 20 30 DEEDHN CCCCCN1CCN(CCN(C)C(=O)C#CC(C)(C)C)CC1 ZINC001267607870 1079199350 /nfs/dbraw/zinc/19/93/50/1079199350.db2.gz YAMUHPPXCBLCFY-UHFFFAOYSA-N 0 3 321.509 2.302 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1c(C)onc1CC ZINC001483927894 1079203486 /nfs/dbraw/zinc/20/34/86/1079203486.db2.gz RJSVSCOVURNBNP-OAHLLOKOSA-N 0 3 317.433 2.430 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)C1 ZINC001481123362 1079222513 /nfs/dbraw/zinc/22/25/13/1079222513.db2.gz QHHJDXVGWJDPMF-QGZVFWFLSA-N 0 3 306.409 2.454 20 30 DEEDHN C#CCN(CCC)CCNC(=O)[C@]1(C)CCOc2ccccc21 ZINC001481151803 1079260666 /nfs/dbraw/zinc/26/06/66/1079260666.db2.gz SJXUDLRNWFMJEW-LJQANCHMSA-N 0 3 314.429 2.188 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2(CCOCC)CCC2)C1 ZINC001267626217 1079302196 /nfs/dbraw/zinc/30/21/96/1079302196.db2.gz QCBDRVNSEDOSEN-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN Cc1c(C(=O)OC[C@@H]2CCN2C(C)(C)C)cnn1CCC#N ZINC001646884733 1074671328 /nfs/dbraw/zinc/67/13/28/1074671328.db2.gz RLJVFASKHUMTNZ-ZDUSSCGKSA-N 0 3 304.394 2.135 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001646898125 1074679971 /nfs/dbraw/zinc/67/99/71/1074679971.db2.gz KBUNQMLLDDYSLZ-NHYWBVRUSA-N 0 3 313.405 2.308 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CN(C)Cc2cc(OC)ccn2)C1 ZINC001267633214 1079318625 /nfs/dbraw/zinc/31/86/25/1079318625.db2.gz VLRXPZXBJIYACS-OAHLLOKOSA-N 0 3 317.433 2.337 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC001647047977 1074773127 /nfs/dbraw/zinc/77/31/27/1074773127.db2.gz GKPWBWFMBPYTTJ-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC001647357470 1074893491 /nfs/dbraw/zinc/89/34/91/1074893491.db2.gz QXAUZWHQPUZFMZ-STQMWFEESA-N 0 3 300.761 2.099 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001484170413 1079343294 /nfs/dbraw/zinc/34/32/94/1079343294.db2.gz PYHQKCAJLMJZFB-GOSISDBHSA-N 0 3 314.433 2.372 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001566824949 1075002019 /nfs/dbraw/zinc/00/20/19/1075002019.db2.gz OVFVBIVUUHIYTO-IRXDYDNUSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(C)c(F)c3)C2)C1 ZINC001565498527 1075009524 /nfs/dbraw/zinc/00/95/24/1075009524.db2.gz JZVUGLFXJQQKAX-UHFFFAOYSA-N 0 3 300.377 2.305 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@@H](C)C2)c1 ZINC001559761099 1075127938 /nfs/dbraw/zinc/12/79/38/1075127938.db2.gz IPJIMAILDVRQTA-CQSZACIVSA-N 0 3 313.401 2.438 20 30 DEEDHN C=CC[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccncc1 ZINC001560338778 1075137844 /nfs/dbraw/zinc/13/78/44/1075137844.db2.gz MJMTYQMHCUGOSA-INIZCTEOSA-N 0 3 317.414 2.136 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001484254335 1079367662 /nfs/dbraw/zinc/36/76/62/1079367662.db2.gz JAJGJPWACOQODT-QGZVFWFLSA-N 0 3 324.371 2.151 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1conc1COC ZINC001565832228 1075191979 /nfs/dbraw/zinc/19/19/79/1075191979.db2.gz XJIGXLPCIYMJOL-KGLIPLIRSA-N 0 3 321.421 2.322 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)CCCOC)C2)CC1 ZINC001565921171 1075205697 /nfs/dbraw/zinc/20/56/97/1075205697.db2.gz AZIIXYJXYZHLJF-DLBZAZTESA-N 0 3 320.477 2.385 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2cc(CC)ccn2)[C@H]1C ZINC001566089452 1075227693 /nfs/dbraw/zinc/22/76/93/1075227693.db2.gz BPVHGOWHJHOXRL-ZBFHGGJFSA-N 0 3 317.433 2.039 20 30 DEEDHN C=CCOCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccccn1 ZINC001566524543 1075269299 /nfs/dbraw/zinc/26/92/99/1075269299.db2.gz DEHHHQPVVNIGFO-RDJZCZTQSA-N 0 3 317.433 2.143 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnc2ccccc2n1)C1CC1 ZINC001566589509 1075290790 /nfs/dbraw/zinc/29/07/90/1075290790.db2.gz JBEJLMHKOJYSOY-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC001566596107 1075293371 /nfs/dbraw/zinc/29/33/71/1075293371.db2.gz WNOFTSTVHPCPOW-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC1(C(=O)NCC2CN(CC[C@@H](C)F)C2)CCOCC1 ZINC001267696862 1079385526 /nfs/dbraw/zinc/38/55/26/1079385526.db2.gz AGFKOZAGPVSPLZ-CQSZACIVSA-N 0 3 312.429 2.155 20 30 DEEDHN O=C(NC[C@H](NCC#Cc1ccccc1)C1CC1)c1ccco1 ZINC001566701323 1075321294 /nfs/dbraw/zinc/32/12/94/1075321294.db2.gz AZULRRJKHUZDCC-KRWDZBQOSA-N 0 3 308.381 2.429 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)OCc2cccc(C)c2)C1 ZINC001566770416 1075340413 /nfs/dbraw/zinc/34/04/13/1075340413.db2.gz PEUUQRZJXNIMEV-AEFFLSMTSA-N 0 3 314.429 2.114 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC001566874528 1075370312 /nfs/dbraw/zinc/37/03/12/1075370312.db2.gz BSRFOWHKOTYZCE-OAHLLOKOSA-N 0 3 318.465 2.269 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(COC)CC1 ZINC001566954994 1075398409 /nfs/dbraw/zinc/39/84/09/1075398409.db2.gz GLFJITOUIRZTPV-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1snc(Cl)c1Cl ZINC001567020192 1075417620 /nfs/dbraw/zinc/41/76/20/1075417620.db2.gz NSTVPUYWVWXARJ-ZETCQYMHSA-N 0 3 306.218 2.181 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(C(C)C)nc1CC ZINC001567054597 1075423788 /nfs/dbraw/zinc/42/37/88/1075423788.db2.gz VQWQOIQHNDFZOZ-AWEZNQCLSA-N 0 3 301.434 2.499 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1coc(C2CCCCC2)n1 ZINC001567083527 1075429372 /nfs/dbraw/zinc/42/93/72/1075429372.db2.gz MSTKMRGUFAABEP-CYBMUJFWSA-N 0 3 303.406 2.454 20 30 DEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001267744773 1079443017 /nfs/dbraw/zinc/44/30/17/1079443017.db2.gz KUCGEIDRGNEUPG-OAHLLOKOSA-N 0 3 319.449 2.160 20 30 DEEDHN C=CCNC(=O)[C@H](C)NCCN(C)C(=O)CC1(C)CCCCC1 ZINC001481254075 1079480575 /nfs/dbraw/zinc/48/05/75/1079480575.db2.gz BBGDGKSQLBIOJV-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001267793036 1079499663 /nfs/dbraw/zinc/49/96/63/1079499663.db2.gz FCFOLKUPUXQKOV-INIZCTEOSA-N 0 3 324.428 2.052 20 30 DEEDHN C=CCCCC(=O)N1CC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001586046854 1076386548 /nfs/dbraw/zinc/38/65/48/1076386548.db2.gz RMUJDYCFQCRXMV-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582796 1076455788 /nfs/dbraw/zinc/45/57/88/1076455788.db2.gz OOGOYOBJDZQRKO-HZPDHXFCSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588582796 1076455791 /nfs/dbraw/zinc/45/57/91/1076455791.db2.gz OOGOYOBJDZQRKO-HZPDHXFCSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582796 1076455797 /nfs/dbraw/zinc/45/57/97/1076455797.db2.gz OOGOYOBJDZQRKO-HZPDHXFCSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588582796 1076455800 /nfs/dbraw/zinc/45/58/00/1076455800.db2.gz OOGOYOBJDZQRKO-HZPDHXFCSA-N 0 3 313.405 2.331 20 30 DEEDHN C=CC[N@@H+](C)CCN(CC)c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588626607 1076458524 /nfs/dbraw/zinc/45/85/24/1076458524.db2.gz MSIHAXGYRMPORB-UHFFFAOYSA-N 0 3 318.400 2.258 20 30 DEEDHN C=CC[N@H+](C)CCN(CC)c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588626607 1076458528 /nfs/dbraw/zinc/45/85/28/1076458528.db2.gz MSIHAXGYRMPORB-UHFFFAOYSA-N 0 3 318.400 2.258 20 30 DEEDHN C=CC[N@@H+](C)CCN(CC)c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588626607 1076458531 /nfs/dbraw/zinc/45/85/31/1076458531.db2.gz MSIHAXGYRMPORB-UHFFFAOYSA-N 0 3 318.400 2.258 20 30 DEEDHN C=CC[N@H+](C)CCN(CC)c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588626607 1076458535 /nfs/dbraw/zinc/45/85/35/1076458535.db2.gz MSIHAXGYRMPORB-UHFFFAOYSA-N 0 3 318.400 2.258 20 30 DEEDHN CCC[NH+]1CCC(Nc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001590634054 1076662222 /nfs/dbraw/zinc/66/22/22/1076662222.db2.gz GGVJCDCZDKMTMH-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN CCC[NH+]1CCC(Nc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001590634054 1076662223 /nfs/dbraw/zinc/66/22/23/1076662223.db2.gz GGVJCDCZDKMTMH-UHFFFAOYSA-N 0 3 311.393 2.025 20 30 DEEDHN CC[N@H+](CCOCCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590715618 1076669534 /nfs/dbraw/zinc/66/95/34/1076669534.db2.gz MLLWHVYIDHBUDK-CYBMUJFWSA-N 0 3 314.393 2.180 20 30 DEEDHN CC[N@@H+](CCOCCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590715618 1076669535 /nfs/dbraw/zinc/66/95/35/1076669535.db2.gz MLLWHVYIDHBUDK-CYBMUJFWSA-N 0 3 314.393 2.180 20 30 DEEDHN CC[N@H+](CCOCCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590715618 1076669536 /nfs/dbraw/zinc/66/95/36/1076669536.db2.gz MLLWHVYIDHBUDK-CYBMUJFWSA-N 0 3 314.393 2.180 20 30 DEEDHN CC[N@@H+](CCOCCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590715618 1076669537 /nfs/dbraw/zinc/66/95/37/1076669537.db2.gz MLLWHVYIDHBUDK-CYBMUJFWSA-N 0 3 314.393 2.180 20 30 DEEDHN N#Cc1ccc(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC001592692732 1076953475 /nfs/dbraw/zinc/95/34/75/1076953475.db2.gz BTAJQMMZVUOOHN-UHFFFAOYSA-N 0 3 310.386 2.132 20 30 DEEDHN N#Cc1ccc(CC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC001592692732 1076953480 /nfs/dbraw/zinc/95/34/80/1076953480.db2.gz BTAJQMMZVUOOHN-UHFFFAOYSA-N 0 3 310.386 2.132 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)c1cc2cnccc2o1 ZINC001329486160 1148899419 /nfs/dbraw/zinc/89/94/19/1148899419.db2.gz JGUWOWVYOXBTEY-CYBMUJFWSA-N 0 3 317.389 2.081 20 30 DEEDHN C=C(C)CC[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609050830 1077748601 /nfs/dbraw/zinc/74/86/01/1077748601.db2.gz DIVNGFVFPPXYMH-UHFFFAOYSA-N 0 3 312.421 2.391 20 30 DEEDHN CC[N@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609224730 1077807503 /nfs/dbraw/zinc/80/75/03/1077807503.db2.gz UWFYWCURYGDHMP-STQMWFEESA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609224730 1077807509 /nfs/dbraw/zinc/80/75/09/1077807509.db2.gz UWFYWCURYGDHMP-STQMWFEESA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609224730 1077807515 /nfs/dbraw/zinc/80/75/15/1077807515.db2.gz UWFYWCURYGDHMP-STQMWFEESA-N 0 3 314.393 2.178 20 30 DEEDHN CC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609224730 1077807523 /nfs/dbraw/zinc/80/75/23/1077807523.db2.gz UWFYWCURYGDHMP-STQMWFEESA-N 0 3 314.393 2.178 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NCc2cc(C)n(C)n2)C1 ZINC001484338785 1079548764 /nfs/dbraw/zinc/54/87/64/1079548764.db2.gz OSNDSWIVUNLITN-HOTGVXAUSA-N 0 3 318.465 2.411 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)/C=C\c2ccc[nH]2)cc1 ZINC001267936350 1079617690 /nfs/dbraw/zinc/61/76/90/1079617690.db2.gz MNRYXEYSCYMKMI-KHPPLWFESA-N 0 3 307.397 2.457 20 30 DEEDHN CC#CCNCCN(CCO)C(=O)C[C@H](C)C1CCCCC1 ZINC001484497005 1079630867 /nfs/dbraw/zinc/63/08/67/1079630867.db2.gz REEWFLMKXMQZNC-INIZCTEOSA-N 0 3 308.466 2.027 20 30 DEEDHN 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1081146732 /nfs/dbraw/zinc/14/67/32/1081146732.db2.gz YODPMGXFDSKKDB-OAHLLOKOSA-N 0 3 302.418 2.088 20 30 DEEDHN O=C(NCC1(NCC#Cc2ccccc2)CCCC1)c1cn[nH]c1 ZINC001666743812 1081178377 /nfs/dbraw/zinc/17/83/77/1081178377.db2.gz WBTJNTDQKJFNQQ-UHFFFAOYSA-N 0 3 322.412 2.094 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@@H]2CCN2CC2CC2)cc1 ZINC001269236267 1081178992 /nfs/dbraw/zinc/17/89/92/1081178992.db2.gz YZZMCMBQGLEYKU-KRWDZBQOSA-N 0 3 312.413 2.303 20 30 DEEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001269241903 1081181042 /nfs/dbraw/zinc/18/10/42/1081181042.db2.gz ZVXHTBUQVBKGCH-LBPRGKRZSA-N 0 3 309.435 2.264 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)C)CC2 ZINC001666834784 1081184897 /nfs/dbraw/zinc/18/48/97/1081184897.db2.gz OGEHOJKSQPVLFE-DLBZAZTESA-N 0 3 320.477 2.406 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001269272591 1081192164 /nfs/dbraw/zinc/19/21/64/1081192164.db2.gz LVQIOTDHXXYCIY-SJLPKXTDSA-N 0 3 314.429 2.457 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001269311471 1081206242 /nfs/dbraw/zinc/20/62/42/1081206242.db2.gz SMNNACNGGFSTEM-CQSZACIVSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001269326402 1081213766 /nfs/dbraw/zinc/21/37/66/1081213766.db2.gz IZAHQHBIXMEBIT-WMLDXEAASA-N 0 3 316.449 2.452 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](NCc2ccn(C)n2)[C@@H](C)C1 ZINC001667174951 1081220249 /nfs/dbraw/zinc/22/02/49/1081220249.db2.gz FMXWTNTVANOMFM-GOEBONIOSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2c(C)n[nH]c2C)C1 ZINC001269355971 1081226452 /nfs/dbraw/zinc/22/64/52/1081226452.db2.gz LGDCOANMBPMJTA-OAHLLOKOSA-N 0 3 304.438 2.068 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CC)N[C@@H](C)c1n[nH]c(C)n1 ZINC001269449312 1081251024 /nfs/dbraw/zinc/25/10/24/1081251024.db2.gz YAAHPKWHUXAPPJ-AAEUAGOBSA-N 0 3 307.442 2.261 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC001269447373 1081251915 /nfs/dbraw/zinc/25/19/15/1081251915.db2.gz ZXIAVZDZBIFMCC-CVEARBPZSA-N 0 3 318.461 2.113 20 30 DEEDHN C#CCOc1ccc(C(=O)NC[C@H](NCCF)C(C)C)cc1 ZINC001667502126 1081258240 /nfs/dbraw/zinc/25/82/40/1081258240.db2.gz AIGQEAOHBWVQNF-INIZCTEOSA-N 0 3 306.381 2.012 20 30 DEEDHN C=CCOCCN(C)CCN(C)C(=O)c1ccc(F)c(F)c1 ZINC001667580660 1081264801 /nfs/dbraw/zinc/26/48/01/1081264801.db2.gz MTEOQRQGBHVFJC-UHFFFAOYSA-N 0 3 312.360 2.171 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)CCN(C)CCc2ccccc2)nc1 ZINC001667652654 1081271744 /nfs/dbraw/zinc/27/17/44/1081271744.db2.gz NIGWVTUFTNMWAW-UHFFFAOYSA-N 0 3 321.424 2.309 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cccc(OC(C)C)c2)CC1 ZINC001269544676 1081284876 /nfs/dbraw/zinc/28/48/76/1081284876.db2.gz OJAXINRGMAEGIP-UHFFFAOYSA-N 0 3 314.429 2.278 20 30 DEEDHN C/C=C(/C)C(=O)N(C)CCN(C)Cc1ccc(OCC#N)cc1 ZINC001496687247 1081296773 /nfs/dbraw/zinc/29/67/73/1081296773.db2.gz NNVGWIVHTZVSGD-WCSRMQSCSA-N 0 3 315.417 2.445 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(CC#CC)C2 ZINC001269687822 1081335491 /nfs/dbraw/zinc/33/54/91/1081335491.db2.gz YOKLZQUTPMNADS-PKOBYXMFSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(CC)CCN[C@@H](C)c1ccccc1F ZINC001668426333 1081354359 /nfs/dbraw/zinc/35/43/59/1081354359.db2.gz GQTMKROQZMSNSN-GJZGRUSLSA-N 0 3 320.408 2.363 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)/C=C(\C)CC)CC2 ZINC001482243268 1081366933 /nfs/dbraw/zinc/36/69/33/1081366933.db2.gz FGHNRTBNPYLERH-DTQAZKPQSA-N 0 3 306.450 2.470 20 30 DEEDHN CC(C)=CC(=O)NC/C=C/CNCc1ccc(F)c(C#N)c1 ZINC001668690823 1081382266 /nfs/dbraw/zinc/38/22/66/1081382266.db2.gz GPWUBHNGWKXPOU-ONEGZZNKSA-N 0 3 301.365 2.426 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)C1CCC1 ZINC001482249343 1081392178 /nfs/dbraw/zinc/39/21/78/1081392178.db2.gz WTYHECKWNXWZSL-GFCCVEGCSA-N 0 3 303.381 2.434 20 30 DEEDHN N#Cc1ccc(CNC/C=C/CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC001668804420 1081398685 /nfs/dbraw/zinc/39/86/85/1081398685.db2.gz KZQAZGHBYHLPBD-QJVFMVDXSA-N 0 3 319.355 2.221 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CCC ZINC001269988478 1081419535 /nfs/dbraw/zinc/41/95/35/1081419535.db2.gz AYJYQEIHFWFVTB-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2c[nH]nc2CCC)cc1 ZINC001270065140 1081441528 /nfs/dbraw/zinc/44/15/28/1081441528.db2.gz FNGAQRJBGZRKIA-UHFFFAOYSA-N 0 3 324.428 2.405 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1ccc(OC)nc1 ZINC001669302768 1081444980 /nfs/dbraw/zinc/44/49/80/1081444980.db2.gz VXXFXZRXMSANQV-CYBMUJFWSA-N 0 3 305.422 2.287 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1(C)CCCCCC1 ZINC001669580939 1081458543 /nfs/dbraw/zinc/45/85/43/1081458543.db2.gz WBNINMAAQJHLAA-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@@H](C(=O)N[C@@H](C)CNCc1cnc(C)nc1)c1ccccc1 ZINC001669750911 1081465799 /nfs/dbraw/zinc/46/57/99/1081465799.db2.gz SLCJCSFYELLULD-KBXCAEBGSA-N 0 3 324.428 2.349 20 30 DEEDHN C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)CSCC#N ZINC001669776439 1081466487 /nfs/dbraw/zinc/46/64/87/1081466487.db2.gz 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ZINC001671602496 1081525502 /nfs/dbraw/zinc/52/55/02/1081525502.db2.gz BXFMMVUKMJWNKV-KRWDZBQOSA-N 0 3 321.509 2.463 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1cc(OC)no1 ZINC001270478210 1081534038 /nfs/dbraw/zinc/53/40/38/1081534038.db2.gz NOZDKXUJKRZFKW-LBPRGKRZSA-N 0 3 309.410 2.127 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001270502588 1081539027 /nfs/dbraw/zinc/53/90/27/1081539027.db2.gz ZTGODDXDPYLGJW-WOPDTQHZSA-N 0 3 303.328 2.164 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)CNCc2cc(C)n(C)n2)CCC1 ZINC001270507465 1081539903 /nfs/dbraw/zinc/53/99/03/1081539903.db2.gz ODLCJJVCJQSPRP-CQSZACIVSA-N 0 3 318.465 2.317 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2snnc2C2CC2)C1 ZINC001671892510 1081547423 /nfs/dbraw/zinc/54/74/23/1081547423.db2.gz PTWSLWIBOVLAOP-MRXNPFEDSA-N 0 3 320.462 2.433 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)CCCn2cccn2)C1 ZINC001671916534 1081550462 /nfs/dbraw/zinc/55/04/62/1081550462.db2.gz NVLFOUPCWNFDNN-QGZVFWFLSA-N 0 3 304.438 2.068 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001671962567 1081553633 /nfs/dbraw/zinc/55/36/33/1081553633.db2.gz INPVCOLHVCFXLA-UONOGXRCSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)C2(C(F)F)CC2)C1 ZINC001671968732 1081554836 /nfs/dbraw/zinc/55/48/36/1081554836.db2.gz OGLZGJMDTLTRNG-NSHDSACASA-N 0 3 320.330 2.128 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)c2ccsc2C(F)F)C1 ZINC001672040461 1081559185 /nfs/dbraw/zinc/55/91/85/1081559185.db2.gz ZRSNCMSDQIYCDN-AWEZNQCLSA-N 0 3 316.373 2.038 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ocnc1C)C2 ZINC001672155879 1081562433 /nfs/dbraw/zinc/56/24/33/1081562433.db2.gz PQGHWJFWBWSXQT-XHSDSOJGSA-N 0 3 315.417 2.256 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cnoc1C)C2 ZINC001672156730 1081562643 /nfs/dbraw/zinc/56/26/43/1081562643.db2.gz XGPZSYDXCYQTLU-XIRDDKMYSA-N 0 3 315.417 2.256 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001482336520 1081731245 /nfs/dbraw/zinc/73/12/45/1081731245.db2.gz XENGQGRMCYJLAU-GVDBMIGSSA-N 0 3 320.477 2.289 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2ccccc2C(C)C)CCO1 ZINC001673278891 1081751642 /nfs/dbraw/zinc/75/16/42/1081751642.db2.gz NZZJRPHBLKZAFT-MRXNPFEDSA-N 0 3 314.429 2.264 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)COC)cc1 ZINC001095854570 1081762046 /nfs/dbraw/zinc/76/20/46/1081762046.db2.gz HZVQEOUZXDSRAL-NBMRYCAZSA-N 0 3 312.413 2.038 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001673381302 1081763336 /nfs/dbraw/zinc/76/33/36/1081763336.db2.gz RMJSROWCEQVLAW-INIZCTEOSA-N 0 3 304.438 2.247 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001673491589 1081776722 /nfs/dbraw/zinc/77/67/22/1081776722.db2.gz MHPBSDVQRNZTEM-MRXNPFEDSA-N 0 3 316.445 2.287 20 30 DEEDHN COCC#CCNC[C@@H](CC(C)C)NC(=O)[C@H](C)C1CCC1 ZINC001482387308 1081785272 /nfs/dbraw/zinc/78/52/72/1081785272.db2.gz MHCHEOFXDJWUDX-NVXWUHKLSA-N 0 3 308.466 2.193 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC001673703951 1081793501 /nfs/dbraw/zinc/79/35/01/1081793501.db2.gz LJHZINRNDDSZBW-FQEVSTJZSA-N 0 3 322.408 2.030 20 30 DEEDHN C=CCCCC(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 ZINC001674047187 1081831667 /nfs/dbraw/zinc/83/16/67/1081831667.db2.gz ICHJPRFPTOFLNX-INIZCTEOSA-N 0 3 307.482 2.217 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1CCCCCC1 ZINC001270912492 1081835248 /nfs/dbraw/zinc/83/52/48/1081835248.db2.gz ACTNQMORAOVXDI-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cnc(C3CC3)s2)CC1 ZINC001270920013 1081838205 /nfs/dbraw/zinc/83/82/05/1081838205.db2.gz VERBGWGHCKEBCK-UHFFFAOYSA-N 0 3 317.458 2.486 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CC1(F)F ZINC001270955890 1081856346 /nfs/dbraw/zinc/85/63/46/1081856346.db2.gz CFZOCFVOEBRSFS-IUODEOHRSA-N 0 3 324.346 2.269 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)CCC1(C)CC1)CCO2 ZINC001674276014 1081857090 /nfs/dbraw/zinc/85/70/90/1081857090.db2.gz OJVJNFHOZCKRNM-UHFFFAOYSA-N 0 3 318.461 2.283 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc(C)ccc2F)CC1 ZINC001674324240 1081860240 /nfs/dbraw/zinc/86/02/40/1081860240.db2.gz FIBWMFMCTVQXDI-UHFFFAOYSA-N 0 3 320.408 2.267 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cccc2nccnc21 ZINC001674491331 1081879984 /nfs/dbraw/zinc/87/99/84/1081879984.db2.gz MQQFKXHKXZKAPK-CQSZACIVSA-N 0 3 310.401 2.352 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2cscc2C(F)F)C1 ZINC001271144407 1081935060 /nfs/dbraw/zinc/93/50/60/1081935060.db2.gz ATJIWXZTIGUYGP-CQSZACIVSA-N 0 3 316.373 2.038 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccn(C)n2)C1 ZINC001482474000 1081954783 /nfs/dbraw/zinc/95/47/83/1081954783.db2.gz BFVPFCJXHLSFFC-HZPDHXFCSA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2C)C1 ZINC001266316333 1081966115 /nfs/dbraw/zinc/96/61/15/1081966115.db2.gz AYFVJDXBBYNVHD-KRWDZBQOSA-N 0 3 314.429 2.498 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC[C@@H](C)F)C2)CCOCC1 ZINC001266356621 1081995885 /nfs/dbraw/zinc/99/58/85/1081995885.db2.gz VQMKKOQCANXGGN-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cnc(C)[nH]1)c1ccccc1CC ZINC001271446409 1082045563 /nfs/dbraw/zinc/04/55/63/1082045563.db2.gz LUVJXOCXPCHVTI-KRWDZBQOSA-N 0 3 324.428 2.365 20 30 DEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCCN1CCOCC1CC1 ZINC001266460657 1082050553 /nfs/dbraw/zinc/05/05/53/1082050553.db2.gz ANDNGZFJTCGPOD-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)C2(COC)CCC2)CC1 ZINC001279146267 1082073956 /nfs/dbraw/zinc/07/39/56/1082073956.db2.gz DAZNCHNYIFCVPW-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN COCC#CCN1CC[C@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001266513880 1082095514 /nfs/dbraw/zinc/09/55/14/1082095514.db2.gz IEUZSEBKRSJVLD-SJORKVTESA-N 0 3 318.461 2.045 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN(CCOCC(F)F)C2)C1 ZINC001266535350 1082127985 /nfs/dbraw/zinc/12/79/85/1082127985.db2.gz ZDTCJZMTKLBDPR-ZDUSSCGKSA-N 0 3 316.392 2.063 20 30 DEEDHN CCCC(=O)N[C@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001670439700 1082133098 /nfs/dbraw/zinc/13/30/98/1082133098.db2.gz RXILMNOAQZZURJ-QGZVFWFLSA-N 0 3 302.393 2.462 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(F)c3ccncc23)C1 ZINC001266545607 1082141208 /nfs/dbraw/zinc/14/12/08/1082141208.db2.gz WXAWWMXYCIEIJI-ZDUSSCGKSA-N 0 3 311.360 2.201 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)CCCOc2ccc(C)cc2)C1 ZINC001266549460 1082144619 /nfs/dbraw/zinc/14/46/19/1082144619.db2.gz WDQGRZLWKYQVOV-KRWDZBQOSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1OCCc2ccccc21 ZINC001266575612 1082169250 /nfs/dbraw/zinc/16/92/50/1082169250.db2.gz WIZQXALXBXQLDW-GOSISDBHSA-N 0 3 314.429 2.152 20 30 DEEDHN CC(C)[C@H](CNC(=O)C#CC(C)(C)C)NCc1ccccn1 ZINC001271840507 1082169638 /nfs/dbraw/zinc/16/96/38/1082169638.db2.gz ZNJYCZWPOGQFLI-INIZCTEOSA-N 0 3 301.434 2.362 20 30 DEEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CN(Cc3ocnc3C)C[C@H]2C1 ZINC001271880462 1082179122 /nfs/dbraw/zinc/17/91/22/1082179122.db2.gz OUOSBMCHVNHAOJ-GASCZTMLSA-N 0 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/nfs/dbraw/zinc/27/09/59/1082270959.db2.gz NZSUQZSNORWZGA-OLZOCXBDSA-N 0 3 320.355 2.207 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001266744382 1082314465 /nfs/dbraw/zinc/31/44/65/1082314465.db2.gz PEMVFVIUAJRNEI-OLZOCXBDSA-N 0 3 304.356 2.426 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)CCc2c(C)noc2C)C1 ZINC001266766413 1082331154 /nfs/dbraw/zinc/33/11/54/1082331154.db2.gz FYVJFDKLLYCHOW-MRXNPFEDSA-N 0 3 317.433 2.076 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001272060751 1082368806 /nfs/dbraw/zinc/36/88/06/1082368806.db2.gz KYXWKSDRFIVWCZ-OAHLLOKOSA-N 0 3 308.809 2.220 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)CN(C)c1ccccc1 ZINC001266857603 1082402015 /nfs/dbraw/zinc/40/20/15/1082402015.db2.gz ADGGVANAKYMXHX-GOSISDBHSA-N 0 3 313.445 2.117 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001266860091 1082404217 /nfs/dbraw/zinc/40/42/17/1082404217.db2.gz WWHFBTMQTAPCDB-AWEZNQCLSA-N 0 3 324.856 2.310 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001272080432 1082409335 /nfs/dbraw/zinc/40/93/35/1082409335.db2.gz NHAGSJUUTNNSIQ-UHFFFAOYSA-N 0 3 301.365 2.334 20 30 DEEDHN C#CCCCCC(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001266866223 1082411490 /nfs/dbraw/zinc/41/14/90/1082411490.db2.gz KTGOXAINLPOSOT-QGZVFWFLSA-N 0 3 316.449 2.084 20 30 DEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CCc1ccoc1 ZINC001493513181 1082456208 /nfs/dbraw/zinc/45/62/08/1082456208.db2.gz JQLSSELPCGOZET-UHFFFAOYSA-N 0 3 311.385 2.332 20 30 DEEDHN C=CCOCC(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001266928746 1082458225 /nfs/dbraw/zinc/45/82/25/1082458225.db2.gz WVYCYOZBQPKERJ-CYBMUJFWSA-N 0 3 310.825 2.445 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C ZINC001279540731 1082463116 /nfs/dbraw/zinc/46/31/16/1082463116.db2.gz HNJNCGGEPSYWFV-HOTGVXAUSA-N 0 3 318.417 2.470 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001266973670 1082484794 /nfs/dbraw/zinc/48/47/94/1082484794.db2.gz AMCDYNFOEVNGIV-KGLIPLIRSA-N 0 3 323.481 2.082 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1cc(C)ncn1 ZINC001482867254 1082536478 /nfs/dbraw/zinc/53/64/78/1082536478.db2.gz GXNBFPIUYYTMHS-GUYCJALGSA-N 0 3 304.438 2.372 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CN1CCc2ccccc21 ZINC001482902219 1082554045 /nfs/dbraw/zinc/55/40/45/1082554045.db2.gz ZFCMMKSITIKMGV-CQSZACIVSA-N 0 3 321.852 2.286 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1ccc(-c2cnco2)cc1 ZINC001482934605 1082567267 /nfs/dbraw/zinc/56/72/67/1082567267.db2.gz TXYKZYLPYJAOCS-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C#CCNCCN(CC)C(=O)COc1ccc(C(C)C)cc1 ZINC001482936719 1082568354 /nfs/dbraw/zinc/56/83/54/1082568354.db2.gz JTGFBOKAXZZPSL-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN CC#CCNCCN(CC)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001482936355 1082568431 /nfs/dbraw/zinc/56/84/31/1082568431.db2.gz YLJXOHYKCOQORL-GOSISDBHSA-N 0 3 314.429 2.266 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC001272125832 1082596738 /nfs/dbraw/zinc/59/67/38/1082596738.db2.gz NTZHXBWPQYJEPS-CYBMUJFWSA-N 0 3 321.446 2.022 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1csc(C(C)(C)C)n1 ZINC001483070904 1082690059 /nfs/dbraw/zinc/69/00/59/1082690059.db2.gz DEYMAEDBUKNVCK-BQYQJAHWSA-N 0 3 305.447 2.340 20 30 DEEDHN Cc1ccc(CC(=O)N(C)CCNCc2ccc(C#N)s2)o1 ZINC001493524871 1082704658 /nfs/dbraw/zinc/70/46/58/1082704658.db2.gz MJESJXNDJHLPGM-UHFFFAOYSA-N 0 3 317.414 2.312 20 30 DEEDHN CC[C@H](C)OCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001483122097 1082732284 /nfs/dbraw/zinc/73/22/84/1082732284.db2.gz UANMOVQMIUMGAL-CABCVRRESA-N 0 3 320.408 2.087 20 30 DEEDHN CCCCC(=O)N[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001483208577 1082810150 /nfs/dbraw/zinc/81/01/50/1082810150.db2.gz IXRLJQPFBQZMOZ-ZDUSSCGKSA-N 0 3 303.406 2.351 20 30 DEEDHN Cc1csc(CNC[C@H]2CCC[C@H]2NC(=O)C#CC2CC2)n1 ZINC001272259995 1082824093 /nfs/dbraw/zinc/82/40/93/1082824093.db2.gz FGEYKORLJYXOGC-HUUCEWRRSA-N 0 3 317.458 2.239 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1ccnc(OC)c1 ZINC001483270074 1083066053 /nfs/dbraw/zinc/06/60/53/1083066053.db2.gz 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ZINC001276891770 1083667766 /nfs/dbraw/zinc/66/77/66/1083667766.db2.gz MIXCCZDODYZXJH-RFSXOUPVSA-N 0 3 318.461 2.347 20 30 DEEDHN Cc1cccc(N2CC[C@H]3[C@@H]2CCN3Cc2cc(C#N)n(C)c2)n1 ZINC001276981271 1083717910 /nfs/dbraw/zinc/71/79/10/1083717910.db2.gz WEXIUUZEJJRUAL-ROUUACIJSA-N 0 3 321.428 2.453 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)c3ccnc(F)c3)CC2)cc1 ZINC001277014134 1083732239 /nfs/dbraw/zinc/73/22/39/1083732239.db2.gz UIKOVTIDHNEWDD-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001077722988 1083747001 /nfs/dbraw/zinc/74/70/01/1083747001.db2.gz LHJKPNQHQKURLH-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001077729563 1083756610 /nfs/dbraw/zinc/75/66/10/1083756610.db2.gz DGLKMYMZNAAKSR-QBPKDAKJSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001077742121 1083783681 /nfs/dbraw/zinc/78/36/81/1083783681.db2.gz NNWUYAOMHHAUOH-LSDHHAIUSA-N 0 3 323.481 2.082 20 30 DEEDHN N#CC1(NC(=O)c2ccc3c(n2)CCN(CC2CCC2)C3)CCC1 ZINC001277304127 1083903927 /nfs/dbraw/zinc/90/39/27/1083903927.db2.gz WRAGXVVIIAAIBN-UHFFFAOYSA-N 0 3 324.428 2.416 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001277345882 1083919378 /nfs/dbraw/zinc/91/93/78/1083919378.db2.gz NNJZYZVYYDOMLT-SJORKVTESA-N 0 3 318.461 2.445 20 30 DEEDHN CC(C)[C@H](C(=O)NCCN(CC#N)C1CCCCCC1)N(C)C ZINC001277382116 1083936202 /nfs/dbraw/zinc/93/62/02/1083936202.db2.gz GUFGNRUDKNAAPI-QGZVFWFLSA-N 0 3 322.497 2.237 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001490923877 1083961324 /nfs/dbraw/zinc/96/13/24/1083961324.db2.gz UDIOXJXYPVBSNW-JHJVBQTASA-N 0 3 308.451 2.186 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001491060562 1084038185 /nfs/dbraw/zinc/03/81/85/1084038185.db2.gz WAWBFQDBOBLXAO-UTUOFQBUSA-N 0 3 303.244 2.424 20 30 DEEDHN N#Cc1cccc(CCCN2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)c1 ZINC001277590333 1084048649 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C=C(C)CN1CCCC[C@@H]1CNC(=O)COCc1ccncc1 ZINC001491228741 1084170203 /nfs/dbraw/zinc/17/02/03/1084170203.db2.gz GXZTVYSZCRIXBM-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)CCC(C)C)C1 ZINC001491281079 1084205541 /nfs/dbraw/zinc/20/55/41/1084205541.db2.gz QOCRIQDHPNMPER-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCCC2CCOCC2)C1 ZINC001491284366 1084208555 /nfs/dbraw/zinc/20/85/55/1084208555.db2.gz BURIFMISBWTPHM-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2cnccc2C)C1 ZINC001491287500 1084212320 /nfs/dbraw/zinc/21/23/20/1084212320.db2.gz NZEGXKHYCSWQOE-IAGOWNOFSA-N 0 3 313.445 2.173 20 30 DEEDHN CSC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001491415323 1084296045 /nfs/dbraw/zinc/29/60/45/1084296045.db2.gz PTKAUGJUQCCBJR-GHMZBOCLSA-N 0 3 311.476 2.213 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001077859562 1084300273 /nfs/dbraw/zinc/30/02/73/1084300273.db2.gz 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C=C(C)CCC(=O)NCCNCC(=O)NCCC1=CCCCC1 ZINC001128414321 1085772734 /nfs/dbraw/zinc/77/27/34/1085772734.db2.gz XXVSCKYVMLLWSR-UHFFFAOYSA-N 0 3 321.465 2.055 20 30 DEEDHN CC#CCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC000966075277 1085779609 /nfs/dbraw/zinc/77/96/09/1085779609.db2.gz KEUIACUVOFUYQP-DLBZAZTESA-N 0 3 319.493 2.101 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OCC=C)cc1 ZINC001272988692 1085807031 /nfs/dbraw/zinc/80/70/31/1085807031.db2.gz VBHCGLJQVWLMGU-RTBURBONSA-N 0 3 324.424 2.450 20 30 DEEDHN C=CCN1C[C@]2(CCN(Cc3cc(C)cc(C)c3)C2)OCC1=O ZINC001273007178 1085894996 /nfs/dbraw/zinc/89/49/96/1085894996.db2.gz YSLNAUKAABREFN-LJQANCHMSA-N 0 3 314.429 2.293 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC000962175768 1085994219 /nfs/dbraw/zinc/99/42/19/1085994219.db2.gz DBCRYZFPDAKGFM-MLVVQWTHSA-N 0 3 315.392 2.338 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCNCc1scnc1C)OCC ZINC001128528621 1086183416 /nfs/dbraw/zinc/18/34/16/1086183416.db2.gz 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C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001080589675 1089082366 /nfs/dbraw/zinc/08/23/66/1089082366.db2.gz GFDVFNRQWNONBP-TWMKSMIVSA-N 0 3 306.450 2.370 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001080627730 1089109190 /nfs/dbraw/zinc/10/91/90/1089109190.db2.gz LSBOREPFLORQAL-FVQBIDKESA-N 0 3 300.402 2.175 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2sccc2C(C)C)C1 ZINC000958723100 1089146970 /nfs/dbraw/zinc/14/69/70/1089146970.db2.gz CVJPSBDSACVSQW-HIFRSBDPSA-N 0 3 322.474 2.470 20 30 DEEDHN C=C(C)CN1C[C@H](O)[C@H](CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000958740088 1089158676 /nfs/dbraw/zinc/15/86/76/1089158676.db2.gz JDWGRPFJZBHTEA-OMGLFLRBSA-N 0 3 320.477 2.188 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CCC1 ZINC001273203482 1089366364 /nfs/dbraw/zinc/36/63/64/1089366364.db2.gz ZXKLTSHINJBKQA-DZGCQCFKSA-N 0 3 318.367 2.330 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1c1ccccc1 ZINC001081187502 1089368397 /nfs/dbraw/zinc/36/83/97/1089368397.db2.gz JPGDXRCTLHVHRP-RBUKOAKNSA-N 0 3 321.424 2.463 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OCc1ccccc1C ZINC001114635408 1089565672 /nfs/dbraw/zinc/56/56/72/1089565672.db2.gz HESBYBQRACFSMS-DZJNRPSUSA-N 0 3 314.429 2.133 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001082109367 1089728506 /nfs/dbraw/zinc/72/85/06/1089728506.db2.gz SWOCWRGILBJMCU-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(C)ccc2C)[C@H](OC)C1 ZINC001082344078 1089855112 /nfs/dbraw/zinc/85/51/12/1089855112.db2.gz VKBRIVSNVRUVAA-IAGOWNOFSA-N 0 3 302.418 2.309 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)c3ccccc3C)[C@H]2C1 ZINC001082985808 1090132366 /nfs/dbraw/zinc/13/23/66/1090132366.db2.gz UZQAIZFOKNDDEA-DLBZAZTESA-N 0 3 300.402 2.096 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C3CC4(CCC4)C3)[C@H]2C1 ZINC001083167501 1090170865 /nfs/dbraw/zinc/17/08/65/1090170865.db2.gz QWRWTLKZWJANFN-DLBZAZTESA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)Cc2ccccc2Cl)[C@@H](O)C1 ZINC001084029758 1090190105 /nfs/dbraw/zinc/19/01/05/1090190105.db2.gz RAIUFEATTVMXGK-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H](O)C1 ZINC001084016843 1090191468 /nfs/dbraw/zinc/19/14/68/1090191468.db2.gz AUWABWGYACEYGA-SJORKVTESA-N 0 3 302.418 2.045 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ncoc3CC)[C@@H]2C1 ZINC001084247613 1090238122 /nfs/dbraw/zinc/23/81/22/1090238122.db2.gz QTZCMHBLYFJOKN-ZIAGYGMSSA-N 0 3 303.406 2.350 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccnc(CCC)c3)[C@@H]2C1 ZINC001084428218 1090286618 /nfs/dbraw/zinc/28/66/18/1090286618.db2.gz AGIRQSXSZDUALA-SJLPKXTDSA-N 0 3 311.429 2.204 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)[C@@H]2C1 ZINC001084617749 1090350644 /nfs/dbraw/zinc/35/06/44/1090350644.db2.gz KQSAWCFCKDBRNJ-RHSMWYFYSA-N 0 3 318.367 2.063 20 30 DEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3noc4c3CCCC4)[C@@H]2C1 ZINC001084682260 1090385366 /nfs/dbraw/zinc/38/53/66/1090385366.db2.gz ZMNVJBJRGOUWOT-UKRRQHHQSA-N 0 3 315.417 2.276 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCOc4ccccc43)[C@@H]2C1 ZINC001084724885 1090413510 /nfs/dbraw/zinc/41/35/10/1090413510.db2.gz XOPQIJSOPJCBJF-BPQIPLTHSA-N 0 3 324.424 2.109 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001084845470 1090474234 /nfs/dbraw/zinc/47/42/34/1090474234.db2.gz PUEPISYAJDCENR-BHIYHBOVSA-N 0 3 310.441 2.421 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001084907101 1090508858 /nfs/dbraw/zinc/50/88/58/1090508858.db2.gz UJAFUNQFJBXSMD-OLMNPRSZSA-N 0 3 322.412 2.141 20 30 DEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C[C@@H]21 ZINC001085018980 1090593709 /nfs/dbraw/zinc/59/37/09/1090593709.db2.gz ZFXAXSLXFQGIFB-NXHRZFHOSA-N 0 3 323.440 2.058 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC[C@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001085082877 1090636063 /nfs/dbraw/zinc/63/60/63/1090636063.db2.gz KRGDQTUUHWDQBN-IKGGRYGDSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](OC)C3CCCC3)C[C@@H]21 ZINC001085083654 1090637281 /nfs/dbraw/zinc/63/72/81/1090637281.db2.gz LZDQKGGPKKROMP-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)CCO1 ZINC001273343616 1091070165 /nfs/dbraw/zinc/07/01/65/1091070165.db2.gz YEXXRBSMPCNXSO-IAGOWNOFSA-N 0 3 324.440 2.135 20 30 DEEDHN C=CCCCC(=O)N1C[C@H](NCc2ccc(OC)nc2)[C@@H](C)C1 ZINC001274249680 1091149187 /nfs/dbraw/zinc/14/91/87/1091149187.db2.gz BJEGQOFGHYVFDX-HOCLYGCPSA-N 0 3 317.433 2.383 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1csc(-c2ccco2)n1 ZINC001274318588 1091186248 /nfs/dbraw/zinc/18/62/48/1091186248.db2.gz QJWSWEPFYUBGKR-PLNGDYQASA-N 0 3 315.398 2.302 20 30 DEEDHN C=CCSc1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001274361323 1091207647 /nfs/dbraw/zinc/20/76/47/1091207647.db2.gz YUOCMSNABGPPSW-KBPBESRZSA-N 0 3 303.431 2.278 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C\CNCc1ccsc1 ZINC001274429766 1091237934 /nfs/dbraw/zinc/23/79/34/1091237934.db2.gz GPCGXCSWVOMPIW-HFZJXRFXSA-N 0 3 320.458 2.491 20 30 DEEDHN CN(C(=O)c1cccn1C)C1CC(NCC#Cc2ccccc2)C1 ZINC001279190323 1091238294 /nfs/dbraw/zinc/23/82/94/1091238294.db2.gz MBMOBIQKQHZGSG-UHFFFAOYSA-N 0 3 321.424 2.269 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cnc(C)[nH]1)CC2 ZINC001274576434 1091304865 /nfs/dbraw/zinc/30/48/65/1091304865.db2.gz NMGGYQDANNPRAG-UHFFFAOYSA-N 0 3 302.422 2.109 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)cc(O)c1)CC2 ZINC001274760339 1091400883 /nfs/dbraw/zinc/40/08/83/1091400883.db2.gz UPZPBCKRJHCGDA-QGZVFWFLSA-N 0 3 312.413 2.052 20 30 DEEDHN CC[C@@H](C)N1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274793656 1091422323 /nfs/dbraw/zinc/42/23/23/1091422323.db2.gz GMADWLUONARLBB-RDTXWAMCSA-N 0 3 312.417 2.176 20 30 DEEDHN C#CCN1C[C@@]2(CCN(Cc3ccc(C4CC4)cc3)C2)OCC1=O ZINC001274816651 1091425468 /nfs/dbraw/zinc/42/54/68/1091425468.db2.gz TUGAEIDFKUKDGO-FQEVSTJZSA-N 0 3 324.424 2.001 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2oc(CC)nc2C)C1 ZINC001493187551 1091456411 /nfs/dbraw/zinc/45/64/11/1091456411.db2.gz QWQHIWPYJSHDEL-AWEZNQCLSA-N 0 3 305.422 2.450 20 30 DEEDHN N#CCc1ccccc1C(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001274892086 1091465205 /nfs/dbraw/zinc/46/52/05/1091465205.db2.gz KHVLMRATHDWMRI-UHFFFAOYSA-N 0 3 309.413 2.453 20 30 DEEDHN Cc1ccc(CN2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)[nH]1 ZINC001276074648 1091512676 /nfs/dbraw/zinc/51/26/76/1091512676.db2.gz ZDJMFENOKARNCT-QFBILLFUSA-N 0 3 323.444 2.240 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)nc1 ZINC001275032660 1091522321 /nfs/dbraw/zinc/52/23/21/1091522321.db2.gz YGBMCHPCMPGSCP-ROUUACIJSA-N 0 3 307.401 2.130 20 30 DEEDHN C=CCOCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(F)F ZINC001275059650 1091534452 /nfs/dbraw/zinc/53/44/52/1091534452.db2.gz UPDKOJPLDWFRDL-HUUCEWRRSA-N 0 3 324.371 2.216 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)Cc1noc2ccccc12 ZINC001275121566 1091569610 /nfs/dbraw/zinc/56/96/10/1091569610.db2.gz OVPBBWCRPQRBSY-CQSZACIVSA-N 0 3 313.401 2.479 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@H](C)C(F)(F)F ZINC001275135292 1091576519 /nfs/dbraw/zinc/57/65/19/1091576519.db2.gz HTPWSOYEAMEDNA-STQMWFEESA-N 0 3 322.371 2.310 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1snnc1C(C)C ZINC001275150934 1091585983 /nfs/dbraw/zinc/58/59/83/1091585983.db2.gz QPZCOISTXIPFEO-GFCCVEGCSA-N 0 3 308.451 2.384 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC001276137627 1091588578 /nfs/dbraw/zinc/58/85/78/1091588578.db2.gz YMRBLWVWHFOLBR-NHYWBVRUSA-N 0 3 324.856 2.266 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CC(CNCc2ccn(CC)n2)C1 ZINC001275237763 1091631416 /nfs/dbraw/zinc/63/14/16/1091631416.db2.gz MCYATRGNMKBLST-UHFFFAOYSA-N 0 3 318.465 2.490 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1n[nH]c(C(C)C)n1 ZINC001275296905 1091656426 /nfs/dbraw/zinc/65/64/26/1091656426.db2.gz AXMSHACUGRDEAS-BLLLJJGKSA-N 0 3 307.442 2.125 20 30 DEEDHN CCCOCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001275365046 1091691688 /nfs/dbraw/zinc/69/16/88/1091691688.db2.gz HWXLRSWLYJZSPJ-CABCVRRESA-N 0 3 320.408 2.087 20 30 DEEDHN Cc1ccc(CN2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)cc1C#N ZINC001275373128 1091697497 /nfs/dbraw/zinc/69/74/97/1091697497.db2.gz DPKJRXOFSJVFLP-PKOBYXMFSA-N 0 3 321.428 2.296 20 30 DEEDHN CCN1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)C(C)(C)C1 ZINC001412699746 1091699627 /nfs/dbraw/zinc/69/96/27/1091699627.db2.gz OEZGPSQISHPVIK-OAHLLOKOSA-N 0 3 317.458 2.497 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001091077303 1091736426 /nfs/dbraw/zinc/73/64/26/1091736426.db2.gz SWDICUIFBGLTPA-HHTDUIENSA-N 0 3 300.830 2.038 20 30 DEEDHN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)nc1 ZINC001275472287 1091780390 /nfs/dbraw/zinc/78/03/90/1091780390.db2.gz WIODZKQFCXZVIN-LSDHHAIUSA-N 0 3 317.433 2.267 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN2CCc2ccc(C#N)cc2)C1=O ZINC001273459554 1091788540 /nfs/dbraw/zinc/78/85/40/1091788540.db2.gz BQZDZYYMVYZNDY-IBGZPJMESA-N 0 3 309.413 2.354 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)C=C1CCCCC1 ZINC001273488774 1091878663 /nfs/dbraw/zinc/87/86/63/1091878663.db2.gz QTDOPUBUKFKEMX-UHFFFAOYSA-N 0 3 306.450 2.307 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)CC2=CCOCC2)CC1 ZINC000948749599 1091913315 /nfs/dbraw/zinc/91/33/15/1091913315.db2.gz ZKANVRZEWJEYCT-KRWDZBQOSA-N 0 3 304.434 2.059 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cc(C)c(F)c(F)c3)C2)C1=O ZINC001273562697 1091924430 /nfs/dbraw/zinc/92/44/30/1091924430.db2.gz CZFHOMGFHPAFAF-SFHVURJKSA-N 0 3 318.367 2.331 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001273591419 1091941420 /nfs/dbraw/zinc/94/14/20/1091941420.db2.gz QSMQRJUEGQPORS-ZDUSSCGKSA-N 0 3 308.372 2.482 20 30 DEEDHN CCCCN1CC[C@@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001273615148 1091957311 /nfs/dbraw/zinc/95/73/11/1091957311.db2.gz BHVVZMBBAJXALB-GOSISDBHSA-N 0 3 312.417 2.178 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(O)c1C ZINC001273619081 1091958200 /nfs/dbraw/zinc/95/82/00/1091958200.db2.gz DXKQITIPEPBTDR-HZPDHXFCSA-N 0 3 300.402 2.452 20 30 DEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccc(O)c1C ZINC001273620301 1091959103 /nfs/dbraw/zinc/95/91/03/1091959103.db2.gz UDDOHUCXFVGKKR-IBGZPJMESA-N 0 3 312.413 2.291 20 30 DEEDHN CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CCCN(CC#N)CC1 ZINC000948829398 1091960261 /nfs/dbraw/zinc/96/02/61/1091960261.db2.gz MJRCDGCMRZGFLE-IRXDYDNUSA-N 0 3 320.481 2.086 20 30 DEEDHN CC(C)=CCN1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001273631288 1091965322 /nfs/dbraw/zinc/96/53/22/1091965322.db2.gz GCKGYUUSMQVYLO-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN(C)C[C@@H](C)NC(=O)C1(c2cccc(OC)c2)CC1 ZINC001275665970 1091965832 /nfs/dbraw/zinc/96/58/32/1091965832.db2.gz QIGRYPZOJKWJQG-CQSZACIVSA-N 0 3 302.418 2.349 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc(C#C)cc3)CC2)C1=O ZINC001273671336 1091986679 /nfs/dbraw/zinc/98/66/79/1091986679.db2.gz CEQYZEAMWLBXKP-UHFFFAOYSA-N 0 3 306.409 2.116 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c([O-])cc1F ZINC001273677495 1091991623 /nfs/dbraw/zinc/99/16/23/1091991623.db2.gz QRDOSPKDOFQBGU-HUUCEWRRSA-N 0 3 322.355 2.422 20 30 DEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c([O-])cc1F ZINC001273677495 1091991631 /nfs/dbraw/zinc/99/16/31/1091991631.db2.gz QRDOSPKDOFQBGU-HUUCEWRRSA-N 0 3 322.355 2.422 20 30 DEEDHN CC#CCNCCN(CC)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001273701969 1092002407 /nfs/dbraw/zinc/00/24/07/1092002407.db2.gz HCYPUTUUAMPDGM-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)c1cccc(C)c1)CCO2 ZINC000949015432 1092031099 /nfs/dbraw/zinc/03/10/99/1092031099.db2.gz PDOOVYRDLDDRFW-UHFFFAOYSA-N 0 3 314.429 2.488 20 30 DEEDHN C#CCOC[C@H](O)CNCc1c(C)cc(Cl)cc1Cl ZINC001251884552 1092046952 /nfs/dbraw/zinc/04/69/52/1092046952.db2.gz BICDRQKJPHZGFP-GFCCVEGCSA-N 0 3 302.201 2.402 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3coc(C)c3)CC2)C1 ZINC000949352022 1092120227 /nfs/dbraw/zinc/12/02/27/1092120227.db2.gz KXMYMMZXKNZMSD-UHFFFAOYSA-N 0 3 318.417 2.471 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001275844815 1092215664 /nfs/dbraw/zinc/21/56/64/1092215664.db2.gz NVENHURNJWWZON-LBPRGKRZSA-N 0 3 306.454 2.491 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1c[nH]c(Br)c1 ZINC001275883174 1092268283 /nfs/dbraw/zinc/26/82/83/1092268283.db2.gz ZKBAXHVKFGXQFT-SECBINFHSA-N 0 3 300.200 2.013 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001275886445 1092272350 /nfs/dbraw/zinc/27/23/50/1092272350.db2.gz BEUMCKSOQMYXET-LLVKDONJSA-N 0 3 302.378 2.076 20 30 DEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001275913202 1092298919 /nfs/dbraw/zinc/29/89/19/1092298919.db2.gz QFZAAAZYSRLHML-DYVFJYSZSA-N 0 3 320.408 2.105 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001488298063 1092466818 /nfs/dbraw/zinc/46/68/18/1092466818.db2.gz GOCISRRWPCDMDE-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN CC(C)(C)C(=O)CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001273947628 1092532491 /nfs/dbraw/zinc/53/24/91/1092532491.db2.gz LHFMNKNZFIEYDU-GOSISDBHSA-N 0 3 319.449 2.362 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001489176083 1092947615 /nfs/dbraw/zinc/94/76/15/1092947615.db2.gz YEHJKHJRXKGDRQ-OPQOLIRYSA-N 0 3 320.477 2.284 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)[C@H]1CC ZINC001489144825 1092952982 /nfs/dbraw/zinc/95/29/82/1092952982.db2.gz JDJLGSITXOVZME-AFAVFJNCSA-N 0 3 318.465 2.360 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC001489313430 1093015775 /nfs/dbraw/zinc/01/57/75/1093015775.db2.gz CJQNZMMADYXGEK-PVAVHDDUSA-N 0 3 301.434 2.054 20 30 DEEDHN C#Cc1ccc(C(=O)NCCCN(C)CCC(F)(F)F)cn1 ZINC001490271764 1093269054 /nfs/dbraw/zinc/26/90/54/1093269054.db2.gz OFVFWAOMSPDDEJ-UHFFFAOYSA-N 0 3 313.323 2.067 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001490415194 1093370195 /nfs/dbraw/zinc/37/01/95/1093370195.db2.gz SOYNKWORXOZVCR-UHFFFAOYSA-N 0 3 304.438 2.018 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2nnn(C)c2C)C1 ZINC001490430199 1093377577 /nfs/dbraw/zinc/37/75/77/1093377577.db2.gz CPNNEZTZQXMPNG-OAHLLOKOSA-N 0 3 319.453 2.064 20 30 DEEDHN C=CCCCN1CC[C@@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001490553943 1093417092 /nfs/dbraw/zinc/41/70/92/1093417092.db2.gz AZIXGQYNZJVZTR-ZIAGYGMSSA-N 0 3 319.405 2.296 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H]2NC(=O)CC(C)=C(C)C)CC1 ZINC001490599045 1093436980 /nfs/dbraw/zinc/43/69/80/1093436980.db2.gz DIQMZJDRIBANAV-KRWDZBQOSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1ccnc1C ZINC001490800811 1093609978 /nfs/dbraw/zinc/60/99/78/1093609978.db2.gz WMTLXNQIHSRFPH-CALCHBBNSA-N 0 3 316.449 2.223 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCCOCC ZINC001490805154 1093611823 /nfs/dbraw/zinc/61/18/23/1093611823.db2.gz KDHUDUOSXADBPS-YESZJQIVSA-N 0 3 324.465 2.069 20 30 DEEDHN COc1cc(CNC/C=C/CNC(=O)C#CC2CC2)ccc1C ZINC001274017104 1093767181 /nfs/dbraw/zinc/76/71/81/1093767181.db2.gz RAWWJOCNUSPTOO-ONEGZZNKSA-N 0 3 312.413 2.179 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CCO1 ZINC001280652184 1093772106 /nfs/dbraw/zinc/77/21/06/1093772106.db2.gz ODBGOMPPWLJCQH-KZNAEPCWSA-N 0 3 320.477 2.289 20 30 DEEDHN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3CCCC#N)cs1 ZINC001274040395 1093779037 /nfs/dbraw/zinc/77/90/37/1093779037.db2.gz NKQJCHSPPDMYSL-HUUCEWRRSA-N 0 3 318.446 2.321 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCOc1cc(C)cc(C)c1 ZINC001274076513 1093790109 /nfs/dbraw/zinc/79/01/09/1093790109.db2.gz QBMWUWJVUNXUOY-SREVYHEPSA-N 0 3 314.429 2.358 20 30 DEEDHN C=CCN1CCC2(CCN(Cc3cnn4ccccc34)CC2)C1=O ZINC001274102923 1093798045 /nfs/dbraw/zinc/79/80/45/1093798045.db2.gz RNZKWEKJUFMCEW-UHFFFAOYSA-N 0 3 324.428 2.335 20 30 DEEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc2cncn21 ZINC001274111017 1093802871 /nfs/dbraw/zinc/80/28/71/1093802871.db2.gz RILPTXNDYKDRPJ-QZTJIDSGSA-N 0 3 324.428 2.476 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001319395922 1093805612 /nfs/dbraw/zinc/80/56/12/1093805612.db2.gz YCGCCXSUCDMKTF-UHFFFAOYSA-N 0 3 306.450 2.304 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1NCC#Cc1ccccc1 ZINC001274164255 1093829395 /nfs/dbraw/zinc/82/93/95/1093829395.db2.gz JDHUVXIIAXUNDM-LPHOPBHVSA-N 0 3 319.408 2.183 20 30 DEEDHN Cc1ocnc1C(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001274171676 1093833217 /nfs/dbraw/zinc/83/32/17/1093833217.db2.gz ISMITVKEZADMQF-WMLDXEAASA-N 0 3 323.396 2.085 20 30 DEEDHN N#CCCCN1CC[C@@]2(CCCN2Cc2cccc(N)c2)C1=O ZINC001274205079 1093849826 /nfs/dbraw/zinc/84/98/26/1093849826.db2.gz FSSVDHJWSBRIKB-SFHVURJKSA-N 0 3 312.417 2.139 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CCCN(CCc2ccns2)C1 ZINC001480247258 1151720605 /nfs/dbraw/zinc/72/06/05/1151720605.db2.gz QTHLRDZJKDZCDA-AWEZNQCLSA-N 0 3 307.463 2.480 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001329591914 1148932420 /nfs/dbraw/zinc/93/24/20/1148932420.db2.gz IHODHYWAGWCKDY-ZDUSSCGKSA-N 0 3 306.454 2.246 20 30 DEEDHN CCNC(=O)OC1CCN(Cc2ccccc2CC#N)CC1 ZINC001235524201 1138331485 /nfs/dbraw/zinc/33/14/85/1138331485.db2.gz BQVHVEMIQQPGJI-UHFFFAOYSA-N 0 3 301.390 2.463 20 30 DEEDHN C#CCN(C(=O)c1ccc(C)s1)C1CCN(CCOC)CC1 ZINC001278115812 1138692074 /nfs/dbraw/zinc/69/20/74/1138692074.db2.gz VSYQKNGHNMBGLH-UHFFFAOYSA-N 0 3 320.458 2.243 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](CO)NCc1ccccc1C ZINC001278127793 1138741284 /nfs/dbraw/zinc/74/12/84/1138741284.db2.gz FBNGBJPRRYFZRQ-MRXNPFEDSA-N 0 3 304.434 2.164 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2occc2OC)CC1 ZINC001237871224 1138806956 /nfs/dbraw/zinc/80/69/56/1138806956.db2.gz VVRSVPPPXGTKQM-UHFFFAOYSA-N 0 3 319.449 2.080 20 30 DEEDHN COc1cc(CN2CCC3(CC(=O)N(C)C3)CC2)ccc1C#N ZINC001238416209 1138844812 /nfs/dbraw/zinc/84/48/12/1138844812.db2.gz JVNDQMQQNYXQKX-UHFFFAOYSA-N 0 3 313.401 2.011 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001295510813 1139418721 /nfs/dbraw/zinc/41/87/21/1139418721.db2.gz VPRUVIWJBBRGMX-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CCCc1ccc(C)cc1 ZINC001491568427 1139654767 /nfs/dbraw/zinc/65/47/67/1139654767.db2.gz BBWPSRQSSGRENU-QGZVFWFLSA-N 0 3 316.445 2.062 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)NCC(=O)N1CCCCCC1 ZINC001491577179 1140170085 /nfs/dbraw/zinc/17/00/85/1140170085.db2.gz AEZNMLNNJULABH-MAUKXSAKSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@H](NCC#CC)C[C@H]2C)cc1 ZINC001278372415 1140262483 /nfs/dbraw/zinc/26/24/83/1140262483.db2.gz UOJLEMARUXROQQ-SJLPKXTDSA-N 0 3 324.424 2.305 20 30 DEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001318469527 1140340547 /nfs/dbraw/zinc/34/05/47/1140340547.db2.gz FCKGXQWMWNKPSL-INIZCTEOSA-N 0 3 317.433 2.129 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001318472964 1140341969 /nfs/dbraw/zinc/34/19/69/1140341969.db2.gz KOILWEJSVOFSML-HNNXBMFYSA-N 0 3 304.438 2.014 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001278385050 1140385715 /nfs/dbraw/zinc/38/57/15/1140385715.db2.gz PWGXWFNBGKNLKD-WBVHZDCISA-N 0 3 322.412 2.088 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)C(C)(C)COC)cc1 ZINC001318999145 1140488712 /nfs/dbraw/zinc/48/87/12/1140488712.db2.gz PSVHXVMHWLRMOR-UHFFFAOYSA-N 0 3 302.418 2.088 20 30 DEEDHN Cc1noc(C)c1CNC1(CNC(=O)C#CC(C)C)CCCC1 ZINC001319350971 1140554715 /nfs/dbraw/zinc/55/47/15/1140554715.db2.gz DNSNGYIFVKHCSV-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)N(C)C(=O)C(C)(F)F ZINC001319415908 1140566804 /nfs/dbraw/zinc/56/68/04/1140566804.db2.gz DYPVOJBPQLRJDA-GFCCVEGCSA-N 0 3 312.335 2.269 20 30 DEEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1cn(C)nc1C(F)F ZINC001319431955 1140571569 /nfs/dbraw/zinc/57/15/69/1140571569.db2.gz XZRFBDWIFARGOO-NSHDSACASA-N 0 3 314.380 2.260 20 30 DEEDHN COc1ccc(C)cc1CNC[C@H](C)N(C)C(=O)C#CC1CC1 ZINC001319455285 1140580660 /nfs/dbraw/zinc/58/06/60/1140580660.db2.gz QQXOFZRYVKYSFX-HNNXBMFYSA-N 0 3 314.429 2.354 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2[nH]c(C)cc2C)C1 ZINC001278404553 1140620976 /nfs/dbraw/zinc/62/09/76/1140620976.db2.gz HHKSPFLHXYUTPE-QGZVFWFLSA-N 0 3 305.422 2.028 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001320018940 1140812976 /nfs/dbraw/zinc/81/29/76/1140812976.db2.gz WYWOYGVPIOSKIB-QGZVFWFLSA-N 0 3 302.418 2.265 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNCc1cc(C)n(C)n1 ZINC001320152842 1140830748 /nfs/dbraw/zinc/83/07/48/1140830748.db2.gz LFDZGMZEANXERJ-WBVHZDCISA-N 0 3 318.465 2.459 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1cc(C)ncn1 ZINC001320436992 1140865422 /nfs/dbraw/zinc/86/54/22/1140865422.db2.gz JHHWKEWZIJJZDI-ZDUSSCGKSA-N 0 3 304.438 2.372 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cncc(Cl)c2)C1 ZINC001278432711 1140865489 /nfs/dbraw/zinc/86/54/89/1140865489.db2.gz GZJCHRQGSLJKHQ-INIZCTEOSA-N 0 3 323.824 2.132 20 30 DEEDHN C#CCNCCN(CC)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001320755120 1140910381 /nfs/dbraw/zinc/91/03/81/1140910381.db2.gz ANESSRVHKJCHIB-UHFFFAOYSA-N 0 3 302.422 2.142 20 30 DEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)OCc1ccccc1C ZINC001320801163 1140928908 /nfs/dbraw/zinc/92/89/08/1140928908.db2.gz BCJXNOULQJTUCS-KRWDZBQOSA-N 0 3 316.445 2.362 20 30 DEEDHN CCN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@@H]1C[C@H]1C ZINC001320817259 1140938653 /nfs/dbraw/zinc/93/86/53/1140938653.db2.gz DQYYBLPPIRKDSV-IUODEOHRSA-N 0 3 303.381 2.291 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C1CC(C(C)(C)C)C1 ZINC001320929482 1140995657 /nfs/dbraw/zinc/99/56/57/1140995657.db2.gz NFEOVCMXOWGNKN-UHFFFAOYSA-N 0 3 308.466 2.147 20 30 DEEDHN N#Cc1cc(CNC/C=C\CNC(=O)c2ccncc2)ccc1F ZINC001320940811 1141000343 /nfs/dbraw/zinc/00/03/43/1141000343.db2.gz DBTGQECWFLLYAT-UPHRSURJSA-N 0 3 324.359 2.168 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CC(F)(F)C(F)F)CCC[C@@H]12 ZINC001278461523 1141033886 /nfs/dbraw/zinc/03/38/86/1141033886.db2.gz WWLYSZTWSZAJBV-MFKMUULPSA-N 0 3 306.303 2.023 20 30 DEEDHN CS[C@@H](C)CC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001321031609 1141034881 /nfs/dbraw/zinc/03/48/81/1141034881.db2.gz NLYYVLQOCSEQQP-XGACYXMMSA-N 0 3 317.458 2.462 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC/C=C/CN[C@H](C)c1ccc(F)cc1 ZINC001321057027 1141042363 /nfs/dbraw/zinc/04/23/63/1141042363.db2.gz MHXOVVAIKBTHGZ-XEVLESSRSA-N 0 3 318.392 2.187 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)C1(CC(C)C)CCC1 ZINC001321149694 1141067614 /nfs/dbraw/zinc/06/76/14/1141067614.db2.gz HSNGPJIEZVAERY-PLNGDYQASA-N 0 3 306.450 2.115 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC[C@H](F)C2)c1 ZINC001321210202 1141086166 /nfs/dbraw/zinc/08/61/66/1141086166.db2.gz IPAOOGIINIQGGD-YKIWHUSVSA-N 0 3 315.392 2.458 20 30 DEEDHN CO[C@@H](CN(C)C[C@@H](C)NC(=O)C#CC(C)C)c1ccccc1 ZINC001322155235 1141415827 /nfs/dbraw/zinc/41/58/27/1141415827.db2.gz BBMGSXFIYRSXEK-AEFFLSMTSA-N 0 3 316.445 2.470 20 30 DEEDHN C=C(C)CN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001322197200 1141451688 /nfs/dbraw/zinc/45/16/88/1141451688.db2.gz SSGJUHZPQZYXQL-LBPRGKRZSA-N 0 3 323.824 2.291 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)CCc1ccc(OC)c(F)c1 ZINC001322206191 1141457823 /nfs/dbraw/zinc/45/78/23/1141457823.db2.gz OXRMYBUSAPOPOZ-ZDUSSCGKSA-N 0 3 308.397 2.389 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)CCCNCc2snnc2C)C1 ZINC001322690697 1141684609 /nfs/dbraw/zinc/68/46/09/1141684609.db2.gz MNMAVESICAKTHW-UHFFFAOYSA-N 0 3 308.451 2.141 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2nccn2C)[C@@H](CC)C1 ZINC001323141841 1141817169 /nfs/dbraw/zinc/81/71/69/1141817169.db2.gz FQRQHSQDLMQDJX-HOTGVXAUSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001323241096 1141831532 /nfs/dbraw/zinc/83/15/32/1141831532.db2.gz FGEISGYBDULYIT-HUUCEWRRSA-N 0 3 304.438 2.163 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NC[C@H](O)c2ccccc2F)CC1 ZINC001323457865 1141855281 /nfs/dbraw/zinc/85/52/81/1141855281.db2.gz QSOFFNNKEXDSDA-INIZCTEOSA-N 0 3 320.408 2.454 20 30 DEEDHN CC#CCNC1(CNC(=O)COc2ccccc2C(C)C)CC1 ZINC001323608815 1141869450 /nfs/dbraw/zinc/86/94/50/1141869450.db2.gz WLVOMCLRWSBFMU-UHFFFAOYSA-N 0 3 314.429 2.451 20 30 DEEDHN COCCCN1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429711 1141888474 /nfs/dbraw/zinc/88/84/74/1141888474.db2.gz MVQMISLMEKEYMW-UHFFFAOYSA-N 0 3 312.417 2.194 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)OCC)C2 ZINC001324548894 1142098324 /nfs/dbraw/zinc/09/83/24/1142098324.db2.gz IKNNTZRPSDEWCJ-FUHWJXTLSA-N 0 3 306.450 2.139 20 30 DEEDHN CC[C@@H](F)C(=O)N1CCCC[C@@]2(CCN(CC#CCOC)C2)C1 ZINC001324557937 1142105659 /nfs/dbraw/zinc/10/56/59/1142105659.db2.gz WIJZANZUMNLRPP-AEFFLSMTSA-N 0 3 324.440 2.089 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001278566441 1142183548 /nfs/dbraw/zinc/18/35/48/1142183548.db2.gz XOVJHVZKRUSHJZ-GJZGRUSLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCN(CC=C)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001250936371 1142350233 /nfs/dbraw/zinc/35/02/33/1142350233.db2.gz DGJNOTLYPYVHPI-UHFFFAOYSA-N 0 3 310.438 2.422 20 30 DEEDHN N=C(NC[C@@H](O)COc1ccccc1)c1ccc2ccccc2n1 ZINC001251247501 1142409353 /nfs/dbraw/zinc/40/93/53/1142409353.db2.gz GXDGIOXCPGMMIO-OAHLLOKOSA-N 0 3 321.380 2.380 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C[C@@H]1CCC[C@@H](C)C1)OC ZINC001251528379 1142444998 /nfs/dbraw/zinc/44/49/98/1142444998.db2.gz LGEHSHCBNNLSDZ-HZPDHXFCSA-N 0 3 309.454 2.341 20 30 DEEDHN C#C[C@@H](C)NC[C@](C)(O)c1ccc(Br)cc1F ZINC001336783430 1142570309 /nfs/dbraw/zinc/57/03/09/1142570309.db2.gz HQLNQJGRIOJYCM-RNCFNFMXSA-N 0 3 300.171 2.407 20 30 DEEDHN CC#CC[C@@H](CO)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC001336805668 1142580178 /nfs/dbraw/zinc/58/01/78/1142580178.db2.gz WCHIWXSSMKSKRF-SMDDNHRTSA-N 0 3 302.201 2.391 20 30 DEEDHN CCCCCCCC[C@@H](O)CN1CCO[C@H](CN(C)C)C1 ZINC001252124681 1142649746 /nfs/dbraw/zinc/64/97/46/1142649746.db2.gz SULVPAQJLDAFLQ-IAGOWNOFSA-N 0 3 300.487 2.360 20 30 DEEDHN CCCCCCCC[C@H](O)CNC1CN(c2ncccn2)C1 ZINC001252138990 1142653724 /nfs/dbraw/zinc/65/37/24/1142653724.db2.gz GXYLUXJRHJTRPF-INIZCTEOSA-N 0 3 306.454 2.366 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(F)cn2)C1 ZINC001278660020 1142684569 /nfs/dbraw/zinc/68/45/69/1142684569.db2.gz ZDSUJXDXNMSZDQ-KRWDZBQOSA-N 0 3 303.381 2.076 20 30 DEEDHN C=CCOC[C@H](O)CNCc1cc(Br)ccc1F ZINC001252488368 1142732706 /nfs/dbraw/zinc/73/27/06/1142732706.db2.gz LOBCDJAFDWLGAQ-GFCCVEGCSA-N 0 3 318.186 2.241 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(CCC)C2)c1 ZINC001337401216 1142745891 /nfs/dbraw/zinc/74/58/91/1142745891.db2.gz ILRYIHWRBRWMPD-MRXNPFEDSA-N 0 3 315.417 2.259 20 30 DEEDHN C=C[C@@](C)(O)CNCc1ccccc1I ZINC001252582022 1142770541 /nfs/dbraw/zinc/77/05/41/1142770541.db2.gz MUOLUMUXIHCKTR-GFCCVEGCSA-N 0 3 317.170 2.318 20 30 DEEDHN C=CCC[C@H](O)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001252596296 1142778656 /nfs/dbraw/zinc/77/86/56/1142778656.db2.gz QGGYZZBKAOMVDH-KKUMJFAQSA-N 0 3 310.438 2.255 20 30 DEEDHN C=CCC[C@H](O)CN1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001252599571 1142780764 /nfs/dbraw/zinc/78/07/64/1142780764.db2.gz BTZODEMQZOQVMJ-INIZCTEOSA-N 0 3 314.433 2.008 20 30 DEEDHN C#CCCCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC=C ZINC001337962865 1142815414 /nfs/dbraw/zinc/81/54/14/1142815414.db2.gz PVENXBHNSLIWOF-UHFFFAOYSA-N 0 3 315.465 2.341 20 30 DEEDHN COc1ccccc1OC[C@@H](O)CNCc1cc(C#N)cs1 ZINC001252915759 1142829771 /nfs/dbraw/zinc/82/97/71/1142829771.db2.gz YIPIJGZTZARPJZ-ZDUSSCGKSA-N 0 3 318.398 2.158 20 30 DEEDHN CCC[C@](C)(C#N)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252952548 1142833380 /nfs/dbraw/zinc/83/33/80/1142833380.db2.gz GIQYCZKPBIGAAK-MSOLQXFVSA-N 0 3 301.434 2.295 20 30 DEEDHN C=CCCCCCC[C@@H](O)CNC1CN(c2cnccn2)C1 ZINC001253252087 1142857311 /nfs/dbraw/zinc/85/73/11/1142857311.db2.gz QZWIMPBUXDIXQA-MRXNPFEDSA-N 0 3 304.438 2.142 20 30 DEEDHN C=CCCCCCC[C@@H](O)CNCC(=O)NCc1ccco1 ZINC001253251534 1142857449 /nfs/dbraw/zinc/85/74/49/1142857449.db2.gz MFKJFLAVZRGLFZ-OAHLLOKOSA-N 0 3 308.422 2.373 20 30 DEEDHN C#CCN(C)C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253421186 1142870923 /nfs/dbraw/zinc/87/09/23/1142870923.db2.gz AFGDHOSYWCIZQG-MRXNPFEDSA-N 0 3 303.402 2.067 20 30 DEEDHN C=C[C@H](O)CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001253566594 1142880727 /nfs/dbraw/zinc/88/07/27/1142880727.db2.gz DUSFXGKNIUBIMJ-IRXDYDNUSA-N 0 3 316.401 2.191 20 30 DEEDHN C=C[C@H](O)CNCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC001253610325 1142884057 /nfs/dbraw/zinc/88/40/57/1142884057.db2.gz CWLIJGQHTLHUDG-HNNXBMFYSA-N 0 3 317.410 2.156 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1noc(CC)n1 ZINC001339876956 1143156861 /nfs/dbraw/zinc/15/68/61/1143156861.db2.gz WVJNDFNPWMSXGV-OLZOCXBDSA-N 0 3 306.410 2.369 20 30 DEEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=N)c1ccc(F)cn1 ZINC001254538396 1143240233 /nfs/dbraw/zinc/24/02/33/1143240233.db2.gz UIWCYOKCTQGDSP-SNVBAGLBSA-N 0 3 302.309 2.465 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC001340075103 1143256961 /nfs/dbraw/zinc/25/69/61/1143256961.db2.gz MEKOWKSQYUHWTG-PBHICJAKSA-N 0 3 317.433 2.074 20 30 DEEDHN N#C[C@@H]1CC[C@H](NC[C@@H]2OCCc3cn(CC4CC4)nc32)C1 ZINC001254636925 1143291506 /nfs/dbraw/zinc/29/15/06/1143291506.db2.gz OFUBOFCXGYBZGC-KBMXLJTQSA-N 0 3 300.406 2.189 20 30 DEEDHN C=CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)C#N ZINC001340593063 1143376721 /nfs/dbraw/zinc/37/67/21/1143376721.db2.gz GRDQENWZMBZHMC-UONOGXRCSA-N 0 3 316.453 2.184 20 30 DEEDHN C#CCN(CC#C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254990358 1143380400 /nfs/dbraw/zinc/38/04/00/1143380400.db2.gz WLNYTGFDHJLKMB-JYJNAYRXSA-N 0 3 302.418 2.343 20 30 DEEDHN N#CCC1CN(C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)C1 ZINC001255001927 1143381232 /nfs/dbraw/zinc/38/12/32/1143381232.db2.gz QXVKHQSWTSAOAX-YQQQUEKLSA-N 0 3 311.429 2.264 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc2ccccc2n1CC ZINC001340648673 1143390379 /nfs/dbraw/zinc/39/03/79/1143390379.db2.gz HKLWYABYJMJSSS-CYBMUJFWSA-N 0 3 300.406 2.356 20 30 DEEDHN CC[C@H](CC#N)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001255162002 1143451433 /nfs/dbraw/zinc/45/14/33/1143451433.db2.gz FARIOLYXKKPDLP-CQSZACIVSA-N 0 3 324.469 2.257 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)SCC(=O)N2 ZINC001340914762 1143492360 /nfs/dbraw/zinc/49/23/60/1143492360.db2.gz BMMGJEZGCJFQDV-LLVKDONJSA-N 0 3 305.403 2.353 20 30 DEEDHN C=CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1CC ZINC001340992267 1143518683 /nfs/dbraw/zinc/51/86/83/1143518683.db2.gz YQYPBBZLKHGHFX-UHFFFAOYSA-N 0 3 319.453 2.065 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc(Cl)cc2c1OCC2 ZINC001341386318 1143592499 /nfs/dbraw/zinc/59/24/99/1143592499.db2.gz SOWGXVVCXLKSSN-HZMBPMFUSA-N 0 3 321.808 2.473 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001341410082 1143596791 /nfs/dbraw/zinc/59/67/91/1143596791.db2.gz SLRYMFCRQJTXMS-GDBMZVCRSA-N 0 3 323.481 2.069 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC001341586463 1143633213 /nfs/dbraw/zinc/63/32/13/1143633213.db2.gz WSZHXCWRUYDDOB-OAHLLOKOSA-N 0 3 313.405 2.143 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1N1CCC(O)CC1 ZINC001341673089 1143658290 /nfs/dbraw/zinc/65/82/90/1143658290.db2.gz WGQDACXUEMJEEH-HNNXBMFYSA-N 0 3 317.433 2.270 20 30 DEEDHN C=C(C)Cn1c(C2CCN(C)CC2)nnc1N(C)[C@H](C)CC#N ZINC001341755444 1143693996 /nfs/dbraw/zinc/69/39/96/1143693996.db2.gz HPYYQJFVWHFDEB-CQSZACIVSA-N 0 3 316.453 2.402 20 30 DEEDHN C=CCO[C@H]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC001342227431 1143804618 /nfs/dbraw/zinc/80/46/18/1143804618.db2.gz CBJKJKRQOQUPAN-ROUUACIJSA-N 0 3 314.429 2.455 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001342254721 1143806558 /nfs/dbraw/zinc/80/65/58/1143806558.db2.gz ZAVLBPXECGLZNV-QLFBSQMISA-N 0 3 303.454 2.366 20 30 DEEDHN N#CC(C(=O)C=CCOC1CCOCC1)c1cccc(F)n1 ZINC001342718303 1143832023 /nfs/dbraw/zinc/83/20/23/1143832023.db2.gz PXWUHCFJPNNUHB-CXLRFSCWSA-N 0 3 304.321 2.149 20 30 DEEDHN Cn1cc(CCNCc2cc(C#N)ccc2Br)cn1 ZINC001342777843 1143835926 /nfs/dbraw/zinc/83/59/26/1143835926.db2.gz FKGSQEUUWVVNOZ-UHFFFAOYSA-N 0 3 319.206 2.387 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC1(CCC(=O)OC)CCCCC1 ZINC001342785969 1143836329 /nfs/dbraw/zinc/83/63/29/1143836329.db2.gz GMEKQBFIFOFXHI-AWEZNQCLSA-N 0 3 310.438 2.442 20 30 DEEDHN CCC(=CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2)CC ZINC001278947790 1143854915 /nfs/dbraw/zinc/85/49/15/1143854915.db2.gz LWCVHJAMTFSRRB-BZSNNMDCSA-N 0 3 318.461 2.352 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(NC(=O)CN(CC)CC)C1 ZINC001299541173 1144053682 /nfs/dbraw/zinc/05/36/82/1144053682.db2.gz RBRITCOJNHQSGO-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H](COC)NC[C@@H](O)c1ccccc1Br ZINC001261436948 1144247128 /nfs/dbraw/zinc/24/71/28/1144247128.db2.gz POBREPWUSKMANJ-GXFFZTMASA-N 0 3 300.196 2.273 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC001263082435 1144354369 /nfs/dbraw/zinc/35/43/69/1144354369.db2.gz HNHNSNWMQRSESO-HIFRSBDPSA-N 0 3 320.433 2.435 20 30 DEEDHN C=C(C)Cn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)O ZINC001263309576 1144367833 /nfs/dbraw/zinc/36/78/33/1144367833.db2.gz NVYFIFXZQHAOMI-ZIAGYGMSSA-N 0 3 321.469 2.001 20 30 DEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)ccc1N(C)C ZINC001263346397 1144371278 /nfs/dbraw/zinc/37/12/78/1144371278.db2.gz NMOFMYMCTDUWSD-SWLSCSKDSA-N 0 3 320.412 2.480 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncc[nH]1 ZINC001263953881 1144430909 /nfs/dbraw/zinc/43/09/09/1144430909.db2.gz ZCVPQMXFMPOYBN-WCQYABFASA-N 0 3 310.829 2.383 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC001264080797 1144458453 /nfs/dbraw/zinc/45/84/53/1144458453.db2.gz WINPKWSTLYVTLL-OAHLLOKOSA-N 0 3 320.433 2.488 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC3(COC)CC3)C2)CC1 ZINC001264495914 1144547542 /nfs/dbraw/zinc/54/75/42/1144547542.db2.gz RPUJNIIEBRJWPI-INIZCTEOSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccccc2OC)[C@H]1CC ZINC001264625376 1144580641 /nfs/dbraw/zinc/58/06/41/1144580641.db2.gz CHWSVLGQHQLNDE-LSDHHAIUSA-N 0 3 318.417 2.229 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(Cl)cc1OC ZINC001265029318 1144627550 /nfs/dbraw/zinc/62/75/50/1144627550.db2.gz ZGGAOUHIBYGCAT-UHFFFAOYSA-N 0 3 308.809 2.424 20 30 DEEDHN C#CCOc1ccc(C(=O)NCCCN(CC#CC)C2CC2)cc1 ZINC001265177184 1144660887 /nfs/dbraw/zinc/66/08/87/1144660887.db2.gz KTFZSHASZSUTIX-UHFFFAOYSA-N 0 3 324.424 2.306 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001265317569 1144692448 /nfs/dbraw/zinc/69/24/48/1144692448.db2.gz RQAMOTZSJOAFTF-PBHICJAKSA-N 0 3 320.408 2.322 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC001265336112 1144695867 /nfs/dbraw/zinc/69/58/67/1144695867.db2.gz QNAWZPLEUDDZOZ-HOTGVXAUSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001265440598 1144704172 /nfs/dbraw/zinc/70/41/72/1144704172.db2.gz YZWNGVMKUKHPGM-DFIIWKEWSA-N 0 3 300.830 2.158 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001265456138 1144704945 /nfs/dbraw/zinc/70/49/45/1144704945.db2.gz IFSRRAFDJLNENO-LPHOPBHVSA-N 0 3 310.441 2.395 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2(CCF)CC2)C1 ZINC001265523334 1144708917 /nfs/dbraw/zinc/70/89/17/1144708917.db2.gz KDTHTUZDMRHHGQ-HZPDHXFCSA-N 0 3 306.425 2.462 20 30 DEEDHN CCCCOCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001265532648 1144709885 /nfs/dbraw/zinc/70/98/85/1144709885.db2.gz AGQLDWVBJORLJV-HDICACEKSA-N 0 3 314.429 2.092 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC001265554182 1144711776 /nfs/dbraw/zinc/71/17/76/1144711776.db2.gz MQUXFWPVRPNCLM-ZQDZILKHSA-N 0 3 302.422 2.377 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H](CN[C@@H](C)c2cnccn2)C1 ZINC001265609500 1144717704 /nfs/dbraw/zinc/71/77/04/1144717704.db2.gz QRGBCRDCVBUSHH-HOTGVXAUSA-N 0 3 314.433 2.025 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001265664563 1144724683 /nfs/dbraw/zinc/72/46/83/1144724683.db2.gz VRBXUCLSQATKAA-KCKALFRLSA-N 0 3 321.465 2.004 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](C)NCc2ncccc2C)cc1 ZINC001265806405 1144742594 /nfs/dbraw/zinc/74/25/94/1144742594.db2.gz CXWSPZZUAWMQPU-HNNXBMFYSA-N 0 3 307.397 2.279 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC001265895380 1144751889 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C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001266217637 1144815505 /nfs/dbraw/zinc/81/55/05/1144815505.db2.gz DUWCBQUTWFIAMT-SJLPKXTDSA-N 0 3 314.429 2.114 20 30 DEEDHN Cc1cnoc1C(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001279307412 1144820588 /nfs/dbraw/zinc/82/05/88/1144820588.db2.gz HKXOLRDEPDPJPN-UHFFFAOYSA-N 0 3 323.396 2.227 20 30 DEEDHN C=CCN1CC=C(CNC(=O)COc2ccc(F)c(F)c2)CC1 ZINC001279694996 1144827285 /nfs/dbraw/zinc/82/72/85/1144827285.db2.gz HNGFPEMRYCJEQE-UHFFFAOYSA-N 0 3 322.355 2.278 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1cc(C#N)c[nH]1 ZINC001280325179 1144835765 /nfs/dbraw/zinc/83/57/65/1144835765.db2.gz SDBZUCQTMIGBGJ-UHFFFAOYSA-N 0 3 308.385 2.434 20 30 DEEDHN CC#CCNC1(CNC(=O)c2scnc2C(F)F)CCC1 ZINC001280492955 1144842563 /nfs/dbraw/zinc/84/25/63/1144842563.db2.gz CADNLBYQKOBQKB-UHFFFAOYSA-N 0 3 313.373 2.346 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)[C@H](CCC)c2ccccc2)CCO1 ZINC001280667009 1144848604 /nfs/dbraw/zinc/84/86/04/1144848604.db2.gz IABBBKVYOBGMFB-QZTJIDSGSA-N 0 3 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CC#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)C2CCOCC2)C1 ZINC001491938977 1147008057 /nfs/dbraw/zinc/00/80/57/1147008057.db2.gz ORPARFMCWXLZRR-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1Cc1cncs1 ZINC001492143172 1147095246 /nfs/dbraw/zinc/09/52/46/1147095246.db2.gz DAVMPLSRAXPTAC-CHWSQXEVSA-N 0 3 306.435 2.164 20 30 DEEDHN C=C(C)CCC(=O)NCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001492173772 1147115482 /nfs/dbraw/zinc/11/54/82/1147115482.db2.gz ROTXTXYWMGYRMI-INIZCTEOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)SC)C2)CC1 ZINC001316671365 1147145843 /nfs/dbraw/zinc/14/58/43/1147145843.db2.gz ROMBQGWKXPPVJQ-CABCVRRESA-N 0 3 308.491 2.464 20 30 DEEDHN Cc1cc[nH]c1C(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001366269224 1147185868 /nfs/dbraw/zinc/18/58/68/1147185868.db2.gz UOZMVUMMWGPOBC-LBPRGKRZSA-N 0 3 314.364 2.242 20 30 DEEDHN COCC#CCN1CCC2(C[C@@H](C)N(C(=O)C3CCC3)C2)CC1 ZINC001316672541 1147227794 /nfs/dbraw/zinc/22/77/94/1147227794.db2.gz 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C=C(C)COCCN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090451428 185297373 /nfs/dbraw/zinc/29/73/73/185297373.db2.gz LCLMNQIREXAVSP-ZDUSSCGKSA-N 0 3 312.435 2.301 20 30 DEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC(C)(C)CCC#N)C1 ZINC000376994623 529807943 /nfs/dbraw/zinc/80/79/43/529807943.db2.gz PYGZKCSIKLQFQE-GJZGRUSLSA-N 0 3 306.454 2.442 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000372371015 529870096 /nfs/dbraw/zinc/87/00/96/529870096.db2.gz VLCHSEJLVFGGOE-KRWDZBQOSA-N 0 3 310.405 2.075 20 30 DEEDHN CNC(=O)c1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000330775138 529940462 /nfs/dbraw/zinc/94/04/62/529940462.db2.gz RTHZBMTZJRXVON-GFCCVEGCSA-N 0 3 316.405 2.023 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)nc1 ZINC000302443078 529973661 /nfs/dbraw/zinc/97/36/61/529973661.db2.gz NLWBAGXNHUPLMR-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@H](c1ccc(CC)cc1)N(CC)CC ZINC000615238755 362563790 /nfs/dbraw/zinc/56/37/90/362563790.db2.gz ZBZGRBUUUMJIJF-SJORKVTESA-N 0 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CN(C)CCN(C(=O)c1cc2ccccc2n1CC#N)C1CC1 ZINC000588685999 357417430 /nfs/dbraw/zinc/41/74/30/357417430.db2.gz AQARPNFIVKUSDI-UHFFFAOYSA-N 0 3 310.401 2.331 20 30 DEEDHN CS[C@H]1CN(C(=O)CCCCCC#N)C[C@@H]1N1CCCC1 ZINC000588678006 357417950 /nfs/dbraw/zinc/41/79/50/357417950.db2.gz QVKHJPCRTHNKLW-GJZGRUSLSA-N 0 3 309.479 2.499 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@H]3CC[C@@](O)(C(F)(F)F)C3)n2c1 ZINC000589938953 357506663 /nfs/dbraw/zinc/50/66/63/357506663.db2.gz GSFGSVUGAZTKHR-FZMZJTMJSA-N 0 3 324.306 2.141 20 30 DEEDHN Cc1ccccc1CN1CCCN(CCOCCC#N)CC1 ZINC000590154604 357522422 /nfs/dbraw/zinc/52/24/22/357522422.db2.gz QPIFNZAPIZNVRP-UHFFFAOYSA-N 0 3 301.434 2.433 20 30 DEEDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000590256917 357528769 /nfs/dbraw/zinc/52/87/69/357528769.db2.gz LABHXSUPXHOSFN-MRXNPFEDSA-N 0 3 314.433 2.228 20 30 DEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1cc2ccccc2o1 ZINC000590605170 357566579 /nfs/dbraw/zinc/56/65/79/357566579.db2.gz BUYBDPVORZLQBB-ZFWWWQNUSA-N 0 3 301.390 2.290 20 30 DEEDHN CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@](F)(C#N)C2)cc1 ZINC000591359313 357714563 /nfs/dbraw/zinc/71/45/63/357714563.db2.gz PMRYNRWGARECAO-RDJZCZTQSA-N 0 3 318.396 2.457 20 30 DEEDHN C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000591470888 357727715 /nfs/dbraw/zinc/72/77/15/357727715.db2.gz VKFRNBHNLIXFPB-CJNGLKHVSA-N 0 3 300.406 2.355 20 30 DEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1Cl ZINC000591573365 357736508 /nfs/dbraw/zinc/73/65/08/357736508.db2.gz QBICSLQTHHXACH-CVEARBPZSA-N 0 3 305.809 2.068 20 30 DEEDHN N#Cc1cccc([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC000591821555 357765896 /nfs/dbraw/zinc/76/58/96/357765896.db2.gz QYBGBBZGTRNKRQ-AWEZNQCLSA-N 0 3 316.361 2.132 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591867724 357772948 /nfs/dbraw/zinc/77/29/48/357772948.db2.gz RWPJDGGGALJRIF-HZPDHXFCSA-N 0 3 302.422 2.109 20 30 DEEDHN COC[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000180004045 199105317 /nfs/dbraw/zinc/10/53/17/199105317.db2.gz JIPULWCKGNOFOT-IRXDYDNUSA-N 0 3 313.401 2.068 20 30 DEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000593614990 358112202 /nfs/dbraw/zinc/11/22/02/358112202.db2.gz JUJQEMLMCCJSGY-RNCFNFMXSA-N 0 3 324.764 2.229 20 30 DEEDHN N#Cc1cnn2cc(CN3CCC4(CC4(F)F)CC3)cnc12 ZINC000593674235 358121457 /nfs/dbraw/zinc/12/14/57/358121457.db2.gz WMGXGVLEBQMKKF-UHFFFAOYSA-N 0 3 303.316 2.222 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccccc2F)CCC1 ZINC000593912980 358170164 /nfs/dbraw/zinc/17/01/64/358170164.db2.gz VFBLJBOWRPEBBB-OAHLLOKOSA-N 0 3 303.381 2.385 20 30 DEEDHN CC(C)N1CCN(CCCSc2cccnc2C#N)CC1 ZINC000594450513 358275144 /nfs/dbraw/zinc/27/51/44/358275144.db2.gz ALDIDDUTVFNBCY-UHFFFAOYSA-N 0 3 304.463 2.461 20 30 DEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1ccc(OC)c(OC)c1 ZINC000594428042 358267063 /nfs/dbraw/zinc/26/70/63/358267063.db2.gz JHEBWUBOBMCSSD-AWEZNQCLSA-N 0 3 319.405 2.468 20 30 DEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)C[C@@H](c2ccsc2)O1 ZINC000594433017 358268781 /nfs/dbraw/zinc/26/87/81/358268781.db2.gz JLRZTVYSQCVZKV-SNPRPXQTSA-N 0 3 321.446 2.448 20 30 DEEDHN COC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1C ZINC000594434622 358269192 /nfs/dbraw/zinc/26/91/92/358269192.db2.gz QIEGFMFDZZWHJC-AWEZNQCLSA-N 0 3 303.362 2.131 20 30 DEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1nc2ccccc2n1C ZINC000594439065 358270431 /nfs/dbraw/zinc/27/04/31/358270431.db2.gz NHWPKHNZJSIZBW-CHWSQXEVSA-N 0 3 313.405 2.162 20 30 DEEDHN N#Cc1cc2c(nc1N[C@H]1CCCN3CCCC[C@H]13)CCOC2 ZINC000594597688 358300837 /nfs/dbraw/zinc/30/08/37/358300837.db2.gz FBUKEDYFAJJRJK-DLBZAZTESA-N 0 3 312.417 2.455 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CCN(C2CC2)CC1 ZINC000618797857 363604258 /nfs/dbraw/zinc/60/42/58/363604258.db2.gz URRKXMLZNYNCNG-SFHVURJKSA-N 0 3 324.428 2.472 20 30 DEEDHN N#Cc1ccc(CCNC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000595437226 358448563 /nfs/dbraw/zinc/44/85/63/358448563.db2.gz FBRBXCNNVWCTSZ-UHFFFAOYSA-N 0 3 312.417 2.027 20 30 DEEDHN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000595764421 358543615 /nfs/dbraw/zinc/54/36/15/358543615.db2.gz BFSPFDVXRDLBOI-INIZCTEOSA-N 0 3 323.400 2.461 20 30 DEEDHN CCOC(=O)CC1(NCC#Cc2ccc(F)cc2)CCOCC1 ZINC000595876439 358569914 /nfs/dbraw/zinc/56/99/14/358569914.db2.gz DLFHWCVKOWKTTA-UHFFFAOYSA-N 0 3 319.376 2.269 20 30 DEEDHN CC[C@H]1CN(c2cc(C#N)cnn2)CCN1Cc1ccccc1 ZINC000596192732 358635747 /nfs/dbraw/zinc/63/57/47/358635747.db2.gz VLMGWEQUKXBVNT-KRWDZBQOSA-N 0 3 307.401 2.449 20 30 DEEDHN CC(C)(CNC(=O)c1c[nH]c(C#N)c1)N1CCc2ccccc2C1 ZINC000181198340 199264712 /nfs/dbraw/zinc/26/47/12/199264712.db2.gz NPJYVAHHMQBDKN-UHFFFAOYSA-N 0 3 322.412 2.453 20 30 DEEDHN CCCN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000596670093 358737179 /nfs/dbraw/zinc/73/71/79/358737179.db2.gz WCJCZNXGDKGKJB-QGZVFWFLSA-N 0 3 314.433 2.226 20 30 DEEDHN COc1ccc(CN(C)C2(CO)CC2)cc1OCCCC#N ZINC000597255814 358871726 /nfs/dbraw/zinc/87/17/26/358871726.db2.gz PXNAGKRSWXKYNA-UHFFFAOYSA-N 0 3 304.390 2.334 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597921792 359041747 /nfs/dbraw/zinc/04/17/47/359041747.db2.gz AYXKUWODKMKIQS-UKRRQHHQSA-N 0 3 315.417 2.315 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000598604379 359259456 /nfs/dbraw/zinc/25/94/56/359259456.db2.gz MBOFGOFHQSATRM-YJBOKZPZSA-N 0 3 300.402 2.419 20 30 DEEDHN CCN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000598584437 359250086 /nfs/dbraw/zinc/25/00/86/359250086.db2.gz LYUPDFNVDGZSKH-HUUCEWRRSA-N 0 3 318.417 2.449 20 30 DEEDHN CCc1nccn1[C@@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598587514 359251244 /nfs/dbraw/zinc/25/12/44/359251244.db2.gz BLIOMACUPRSCHC-CABCVRRESA-N 0 3 304.438 2.383 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000598591804 359252816 /nfs/dbraw/zinc/25/28/16/359252816.db2.gz CBRILCYOEXTBNV-DOTOQJQBSA-N 0 3 324.465 2.337 20 30 DEEDHN COC(=O)c1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598596234 359255100 /nfs/dbraw/zinc/25/51/00/359255100.db2.gz YBAQBRYRVYGAFE-HNNXBMFYSA-N 0 3 304.390 2.206 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc2c1OCCCO2 ZINC000598725392 359306908 /nfs/dbraw/zinc/30/69/08/359306908.db2.gz OORSADKCZUGRTM-AWEZNQCLSA-N 0 3 304.390 2.238 20 30 DEEDHN COC[C@@H](Cc1ccccc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598614009 359260832 /nfs/dbraw/zinc/26/08/32/359260832.db2.gz AKMSVZFCGYUVEP-SJORKVTESA-N 0 3 304.434 2.477 20 30 DEEDHN C=CCC[C@@H](CO)NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598643729 359272974 /nfs/dbraw/zinc/27/29/74/359272974.db2.gz SQLJKRVMBARDNH-ZDUSSCGKSA-N 0 3 306.406 2.028 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(OC)n2)CC1 ZINC000667333949 540438838 /nfs/dbraw/zinc/43/88/38/540438838.db2.gz YAIFXQHIFTYUTB-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN N#Cc1ccc(OC[C@H](O)CN2CCCC(F)(F)CC2)cc1 ZINC000599551405 359524199 /nfs/dbraw/zinc/52/41/99/359524199.db2.gz MHKFJFFZYHEGRY-CQSZACIVSA-N 0 3 310.344 2.419 20 30 DEEDHN CN1C[C@H](C(=O)Nc2cc(CC#N)ccn2)[C@@H](c2ccccc2)C1 ZINC000599686882 359572539 /nfs/dbraw/zinc/57/25/39/359572539.db2.gz XMCSJVGRSNGHAW-SJORKVTESA-N 0 3 320.396 2.432 20 30 DEEDHN CC(=O)NC[C@H]1CCCCN1CCCOc1cccc(C#N)c1 ZINC000599699405 359578458 /nfs/dbraw/zinc/57/84/58/359578458.db2.gz FTFUFCDMMUEZPN-QGZVFWFLSA-N 0 3 315.417 2.318 20 30 DEEDHN CN(C(=O)[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1)c1ccccc1 ZINC000281045784 216041891 /nfs/dbraw/zinc/04/18/91/216041891.db2.gz HGBYJUFZWCQDCT-INIZCTEOSA-N 0 3 322.412 2.382 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601039186 359901826 /nfs/dbraw/zinc/90/18/26/359901826.db2.gz ABHVPGXJGDAHAQ-UHFFFAOYSA-N 0 3 307.325 2.114 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000668541115 540682803 /nfs/dbraw/zinc/68/28/03/540682803.db2.gz DFSNTXLIWPWLAV-RDJZCZTQSA-N 0 3 300.402 2.352 20 30 DEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(N(C)C)nc1 ZINC000602509790 360410367 /nfs/dbraw/zinc/41/03/67/360410367.db2.gz SUJYZAHFZZFFCU-CQSZACIVSA-N 0 3 302.422 2.336 20 30 DEEDHN COc1cc(NC(=O)CNC[C@@H](C)CCC#N)cc(OC)c1 ZINC000602696333 360503310 /nfs/dbraw/zinc/50/33/10/360503310.db2.gz YJZZBIYAIBMWGH-LBPRGKRZSA-N 0 3 305.378 2.172 20 30 DEEDHN C[C@H](CCC#N)CNc1ccc(C(=O)NCCN(C)C)cc1 ZINC000602721935 360517559 /nfs/dbraw/zinc/51/75/59/360517559.db2.gz VMNLRLOEUTVDRU-CQSZACIVSA-N 0 3 302.422 2.330 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602893837 360614060 /nfs/dbraw/zinc/61/40/60/360614060.db2.gz WIMSRBOPULFAFQ-IRXDYDNUSA-N 0 3 318.392 2.497 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602893838 360614443 /nfs/dbraw/zinc/61/44/43/360614443.db2.gz WIMSRBOPULFAFQ-SJORKVTESA-N 0 3 318.392 2.497 20 30 DEEDHN C=C[C@](C)(O)C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000668916818 540752878 /nfs/dbraw/zinc/75/28/78/540752878.db2.gz GKPMQRVMNLPGIG-SFHVURJKSA-N 0 3 318.417 2.345 20 30 DEEDHN COc1cc(CN(CCO)[C@H]2CCCSC2)ccc1C#N ZINC000443067417 238101222 /nfs/dbraw/zinc/10/12/22/238101222.db2.gz JLSHPDVFCXKSJT-HNNXBMFYSA-N 0 3 306.431 2.257 20 30 DEEDHN CN(C)CCN(C(=O)Nc1ccnc(C#N)c1)C1CCCC1 ZINC000603132885 360714878 /nfs/dbraw/zinc/71/48/78/360714878.db2.gz ZMHFMUZTWYHBJG-UHFFFAOYSA-N 0 3 301.394 2.291 20 30 DEEDHN C[C@@H](CNC(=O)Nc1ccnc(C#N)c1)N1CCC(C)CC1 ZINC000603140739 360718043 /nfs/dbraw/zinc/71/80/43/360718043.db2.gz ZQOXJWNAOYEAHX-ZDUSSCGKSA-N 0 3 301.394 2.195 20 30 DEEDHN CC[C@@H](N)c1cn(Cc2ccc(C#N)cc2Br)nn1 ZINC000603244302 360763415 /nfs/dbraw/zinc/76/34/15/360763415.db2.gz RWQAPFGHGVLPQQ-GFCCVEGCSA-N 0 3 320.194 2.370 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCCN1C)C(C)C ZINC000606371267 361000339 /nfs/dbraw/zinc/00/03/39/361000339.db2.gz FZSGXOJGHJRDME-SJORKVTESA-N 0 3 307.482 2.286 20 30 DEEDHN Cc1nn(C)cc1[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809737 361469970 /nfs/dbraw/zinc/46/99/70/361469970.db2.gz SBOJTTSDGIIUAI-ZDUSSCGKSA-N 0 3 324.432 2.315 20 30 DEEDHN COc1ccc([C@H](C)NC2CCN(CC#N)CC2)c(OC)c1 ZINC000610813255 361471490 /nfs/dbraw/zinc/47/14/90/361471490.db2.gz BCBHWWKRTHDXFE-ZDUSSCGKSA-N 0 3 303.406 2.342 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000611205031 361549031 /nfs/dbraw/zinc/54/90/31/361549031.db2.gz HBPPMVKOKPDAHH-OCCSQVGLSA-N 0 3 319.405 2.454 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1cccc(C#N)c1 ZINC000611523479 361622178 /nfs/dbraw/zinc/62/21/78/361622178.db2.gz MKHDOWGTXYGOBV-QRTARXTBSA-N 0 3 312.417 2.355 20 30 DEEDHN CS[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000271862854 209276848 /nfs/dbraw/zinc/27/68/48/209276848.db2.gz YCMCPOALUCOVON-FHQWLQQXSA-N 0 3 315.442 2.075 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc4ccccn43)CCC[C@H]12 ZINC000991820812 781950051 /nfs/dbraw/zinc/95/00/51/781950051.db2.gz TYYLMSZDJLMOEQ-YJBOKZPZSA-N 0 3 310.401 2.247 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000612038166 361728646 /nfs/dbraw/zinc/72/86/46/361728646.db2.gz UPOFOVWRUJKASD-INIZCTEOSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CCc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000612059099 361733444 /nfs/dbraw/zinc/73/34/44/361733444.db2.gz NKDJPSMYQJGVMD-LJQANCHMSA-N 0 3 313.445 2.439 20 30 DEEDHN CC1CCC(N2CCN(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000619533727 363819781 /nfs/dbraw/zinc/81/97/81/363819781.db2.gz JQEUZQYNJOJNAA-UHFFFAOYSA-N 0 3 304.438 2.196 20 30 DEEDHN C=C[C@H](C(=O)OC)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000619720097 363864884 /nfs/dbraw/zinc/86/48/84/363864884.db2.gz ADSXAJPGHDGDEY-QGZVFWFLSA-N 0 3 317.433 2.348 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619818314 363880987 /nfs/dbraw/zinc/88/09/87/363880987.db2.gz CPDMFZZSJQVRLL-CQSZACIVSA-N 0 3 320.824 2.495 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN(CCC)C1 ZINC000619897287 363894997 /nfs/dbraw/zinc/89/49/97/363894997.db2.gz JJAMVWROXQVEHT-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)C(=O)N(CCC#N)c1ccccc1 ZINC000266328731 299343744 /nfs/dbraw/zinc/34/37/44/299343744.db2.gz VFMIONQCNWQBQN-HRCADAONSA-N 0 3 315.417 2.336 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000677480546 541594391 /nfs/dbraw/zinc/59/43/91/541594391.db2.gz ZBUIJICVRQUZFA-CQSZACIVSA-N 0 3 308.447 2.188 20 30 DEEDHN C=CC[C@H](Cc1ccccc1)n1cc(Cn2cc(CN)cn2)nn1 ZINC000630592720 367746433 /nfs/dbraw/zinc/74/64/33/367746433.db2.gz XEABJSGWCASKIE-GOSISDBHSA-N 0 3 322.416 2.342 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000631562984 368288732 /nfs/dbraw/zinc/28/87/32/368288732.db2.gz JSTMVQZFTFJYPQ-LJQANCHMSA-N 0 3 314.429 2.096 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000451603833 243184618 /nfs/dbraw/zinc/18/46/18/243184618.db2.gz DXIXUDONSFWIRN-GLQYFDAESA-N 0 3 308.809 2.278 20 30 DEEDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000451603125 243188187 /nfs/dbraw/zinc/18/81/87/243188187.db2.gz WOLHBPCJWVCHEC-AEFFLSMTSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCN1CCCO)c1ccccc1 ZINC000452371614 244212124 /nfs/dbraw/zinc/21/21/24/244212124.db2.gz UDFXOALOEKYYBG-QZTJIDSGSA-N 0 3 316.445 2.309 20 30 DEEDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C(=O)N(C)CCC#N ZINC000412066229 299400478 /nfs/dbraw/zinc/40/04/78/299400478.db2.gz GILPOQBJVQTMQU-MJBXVCDLSA-N 0 3 309.454 2.319 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1OC ZINC000262734573 203395192 /nfs/dbraw/zinc/39/51/92/203395192.db2.gz IKXQAJSFQIVRDV-CHWSQXEVSA-N 0 3 304.390 2.082 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCc2csc(C)n2)CC1 ZINC000264371475 203885321 /nfs/dbraw/zinc/88/53/21/203885321.db2.gz JAVVRXZFNDEPCY-UHFFFAOYSA-N 0 3 322.478 2.334 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2cccc(F)c2F)CC1 ZINC000264791591 204158166 /nfs/dbraw/zinc/15/81/66/204158166.db2.gz CUYAMEXHFJOHPW-UHFFFAOYSA-N 0 3 323.387 2.457 20 30 DEEDHN N#Cc1ccc(N2CCN(CC3CCOCC3)CC2)c(F)c1 ZINC000264792312 204158500 /nfs/dbraw/zinc/15/85/00/204158500.db2.gz CJYSPLYVBOUTRS-UHFFFAOYSA-N 0 3 303.381 2.246 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN(C)C1CC1 ZINC000264862735 204218052 /nfs/dbraw/zinc/21/80/52/204218052.db2.gz NTYKCDXDKMOVLR-UHFFFAOYSA-N 0 3 312.417 2.350 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(C=O)cc2)CC1 ZINC000264890749 204242777 /nfs/dbraw/zinc/24/27/77/204242777.db2.gz FFGRGVHFQMHSPG-UHFFFAOYSA-N 0 3 316.401 2.035 20 30 DEEDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000265083286 204384712 /nfs/dbraw/zinc/38/47/12/204384712.db2.gz RAOMNINBMXVGOE-NSHDSACASA-N 0 3 317.780 2.025 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000274881855 212005874 /nfs/dbraw/zinc/00/58/74/212005874.db2.gz WWDOWDWGQXXBAN-AWEZNQCLSA-N 0 3 313.401 2.471 20 30 DEEDHN C=CCOCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000679487163 541862362 /nfs/dbraw/zinc/86/23/62/541862362.db2.gz CVCOLRGVYRYKJY-INIZCTEOSA-N 0 3 305.422 2.100 20 30 DEEDHN C=CCOCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000679487025 541862739 /nfs/dbraw/zinc/86/27/39/541862739.db2.gz COPDJHNXXZGXHM-HNNXBMFYSA-N 0 3 305.422 2.009 20 30 DEEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000266021966 205033713 /nfs/dbraw/zinc/03/37/13/205033713.db2.gz RFZOXDWYSIWRGV-KSYCFECVSA-N 0 3 313.401 2.288 20 30 DEEDHN C#CCOc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000266447884 205354068 /nfs/dbraw/zinc/35/40/68/205354068.db2.gz QJUFRYRNWIFVQR-MRXNPFEDSA-N 0 3 311.385 2.177 20 30 DEEDHN N#Cc1cc(Cl)ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267377842 206022440 /nfs/dbraw/zinc/02/24/40/206022440.db2.gz LCGYYPPOJBOFBO-ZDUSSCGKSA-N 0 3 305.809 2.370 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000135178550 335024553 /nfs/dbraw/zinc/02/45/53/335024553.db2.gz AEEAWCVDMXBUKT-IEBWSBKVSA-N 0 3 316.445 2.124 20 30 DEEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000455006085 246324475 /nfs/dbraw/zinc/32/44/75/246324475.db2.gz HEFOKEKFUMCAAT-INIZCTEOSA-N 0 3 311.429 2.480 20 30 DEEDHN C[C@@H](O)CN(CC(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000456589930 247293790 /nfs/dbraw/zinc/29/37/90/247293790.db2.gz OOSBOYRADFXBJM-OCCSQVGLSA-N 0 3 310.344 2.233 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC#Cc1ccccc1 ZINC000267888219 206319682 /nfs/dbraw/zinc/31/96/82/206319682.db2.gz UEEFYXCZTACDGF-MSOLQXFVSA-N 0 3 311.429 2.306 20 30 DEEDHN C=CCNC(=O)CN(CCN(CC)CC)Cc1cccs1 ZINC000267933891 206344757 /nfs/dbraw/zinc/34/47/57/206344757.db2.gz QEMXDSLYAPESEG-UHFFFAOYSA-N 0 3 309.479 2.194 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccnc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000283921784 217811074 /nfs/dbraw/zinc/81/10/74/217811074.db2.gz XAENKYDSMXAXSD-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1F ZINC000458275473 248242667 /nfs/dbraw/zinc/24/26/67/248242667.db2.gz BYUCVDBEQPBKBD-UHFFFAOYSA-N 0 3 316.336 2.218 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)NC(C)(C)CN(C)C ZINC000458379275 248283467 /nfs/dbraw/zinc/28/34/67/248283467.db2.gz NFXRWSKLUGNZEJ-UHFFFAOYSA-N 0 3 305.422 2.391 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C=Cc1c[nH]cn1)C(C)C ZINC000492812419 249146036 /nfs/dbraw/zinc/14/60/36/249146036.db2.gz MMDXRIRARMMYAI-PTZVLDCSSA-N 0 3 302.422 2.238 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\[C@@H]1CCOC1)C(C)C ZINC000492961910 249182160 /nfs/dbraw/zinc/18/21/60/249182160.db2.gz OWEVZOXQSNWGFP-PMKBXARWSA-N 0 3 306.450 2.394 20 30 DEEDHN CCC#C[C@H](C)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711823 542194602 /nfs/dbraw/zinc/19/46/02/542194602.db2.gz QZSIVNIUNQJYCA-HKUYNNGSSA-N 0 3 300.446 2.357 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC1 ZINC000274087314 211342803 /nfs/dbraw/zinc/34/28/03/211342803.db2.gz HYEQIRSIAZTAGI-NVXWUHKLSA-N 0 3 311.429 2.457 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CC2=CCCCC2)C[C@H]1OC ZINC001212187024 781970488 /nfs/dbraw/zinc/97/04/88/781970488.db2.gz HXJRZDCFYVIFGK-IAGOWNOFSA-N 0 3 304.434 2.106 20 30 DEEDHN CN(CCC(=O)Nc1ccccc1C#N)C[C@H]1CCCCO1 ZINC000057379213 184036108 /nfs/dbraw/zinc/03/61/08/184036108.db2.gz TUHRCISPHJYTSW-OAHLLOKOSA-N 0 3 301.390 2.388 20 30 DEEDHN COCCN1CC[C@@H](NC(=O)NC2CCC(C(C)C)CC2)C1 ZINC000331066266 532973976 /nfs/dbraw/zinc/97/39/76/532973976.db2.gz YCCXBALMZKCRGZ-UYSNPLJNSA-N 0 3 311.470 2.426 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272879666 210270631 /nfs/dbraw/zinc/27/06/31/210270631.db2.gz CDEVAHJFFCNORT-HNNXBMFYSA-N 0 3 316.449 2.487 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2cc(C)n[nH]2)CC1 ZINC000272879666 210270636 /nfs/dbraw/zinc/27/06/36/210270636.db2.gz CDEVAHJFFCNORT-HNNXBMFYSA-N 0 3 316.449 2.487 20 30 DEEDHN CC(C#N)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000339897639 533108541 /nfs/dbraw/zinc/10/85/41/533108541.db2.gz RZYAZJKRWWWFRT-VIFPVBQESA-N 0 3 324.178 2.006 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000685769523 542753524 /nfs/dbraw/zinc/75/35/24/542753524.db2.gz CHPMSNFLNMXQPT-LPHOPBHVSA-N 0 3 316.445 2.437 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000685769524 542753673 /nfs/dbraw/zinc/75/36/73/542753673.db2.gz CHPMSNFLNMXQPT-QFBILLFUSA-N 0 3 316.445 2.437 20 30 DEEDHN C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 ZINC000355345813 133019929 /nfs/dbraw/zinc/01/99/29/133019929.db2.gz KPVVDWOPWKXUOR-LXZKKBNFSA-N 0 3 313.401 2.068 20 30 DEEDHN N#Cc1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000368533085 133277363 /nfs/dbraw/zinc/27/73/63/133277363.db2.gz XGMCWYRFSJOOKL-JKSUJKDBSA-N 0 3 305.809 2.247 20 30 DEEDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC000329893367 404484218 /nfs/dbraw/zinc/48/42/18/404484218.db2.gz JMQKUDIPEMFRJK-CYBMUJFWSA-N 0 3 306.410 2.091 20 30 DEEDHN Cn1cc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1C#N ZINC000191328697 145056864 /nfs/dbraw/zinc/05/68/64/145056864.db2.gz ZHXWEXHRUDLVAE-MRXNPFEDSA-N 0 3 314.433 2.168 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC000237137612 145091732 /nfs/dbraw/zinc/09/17/32/145091732.db2.gz LJLDXAQMJHAMON-UHFFFAOYSA-N 0 3 309.369 2.086 20 30 DEEDHN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc(C#N)c1 ZINC000341782287 145500356 /nfs/dbraw/zinc/50/03/56/145500356.db2.gz ZSFCAVAISYYFOL-ZDUSSCGKSA-N 0 3 306.431 2.424 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000346158867 146026535 /nfs/dbraw/zinc/02/65/35/146026535.db2.gz CKYZYSDVSUIANZ-OGHNNQOOSA-N 0 3 315.392 2.500 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCCC23CCOCC3)cc1 ZINC000374300454 148227843 /nfs/dbraw/zinc/22/78/43/148227843.db2.gz DDVNKSIKABZUHP-INIZCTEOSA-N 0 3 313.401 2.436 20 30 DEEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cn1 ZINC000565829866 292184796 /nfs/dbraw/zinc/18/47/96/292184796.db2.gz JOQSWBPSGDENSV-MRXNPFEDSA-N 0 3 320.396 2.476 20 30 DEEDHN CC(C)(C)CN(CCCO)CC(=O)NC1(C#N)CCCCC1 ZINC000112567837 401749555 /nfs/dbraw/zinc/74/95/55/401749555.db2.gz CSAKUQOWBXUHLR-UHFFFAOYSA-N 0 3 309.454 2.060 20 30 DEEDHN CCN1CCN([C@@H]2CCN(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000110586639 401691530 /nfs/dbraw/zinc/69/15/30/401691530.db2.gz ZKFUJNNFVLAKEG-MRXNPFEDSA-N 0 3 318.852 2.428 20 30 DEEDHN C=CC1CCN([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000111259553 401704988 /nfs/dbraw/zinc/70/49/88/401704988.db2.gz JFHXCPRFSDHSJL-ZBFHGGJFSA-N 0 3 322.449 2.075 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)nc1 ZINC000114643437 401804582 /nfs/dbraw/zinc/80/45/82/401804582.db2.gz NKSUGTOGXSYCTI-QGZVFWFLSA-N 0 3 320.396 2.348 20 30 DEEDHN COC[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000077313251 401809583 /nfs/dbraw/zinc/80/95/83/401809583.db2.gz NQICVSDQYLMCNI-OAHLLOKOSA-N 0 3 304.390 2.304 20 30 DEEDHN CCS[C@H]1CC[C@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000076068196 401780315 /nfs/dbraw/zinc/78/03/15/401780315.db2.gz PQBMMPKJISHIQD-DZKIICNBSA-N 0 3 309.479 2.401 20 30 DEEDHN COCCOC[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135106579 401927360 /nfs/dbraw/zinc/92/73/60/401927360.db2.gz BXXSHSMKRBPPOW-OAHLLOKOSA-N 0 3 304.390 2.052 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Sc2ccccn2)CC1 ZINC000084974673 401913146 /nfs/dbraw/zinc/91/31/46/401913146.db2.gz YBSMFZYOGFGPMJ-CYBMUJFWSA-N 0 3 305.447 2.329 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCC1 ZINC000047053404 401978542 /nfs/dbraw/zinc/97/85/42/401978542.db2.gz ABBONRIIYIKAGX-UHFFFAOYSA-N 0 3 314.433 2.432 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc(C#N)c1 ZINC000120232437 401983150 /nfs/dbraw/zinc/98/31/50/401983150.db2.gz WBYBORLAGLFQAV-CJNGLKHVSA-N 0 3 300.406 2.040 20 30 DEEDHN C#CCOc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000120607131 401995456 /nfs/dbraw/zinc/99/54/56/401995456.db2.gz AWHJNXUEIGXCQU-KRWDZBQOSA-N 0 3 307.397 2.462 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1CCO ZINC000049137644 402012981 /nfs/dbraw/zinc/01/29/81/402012981.db2.gz NNMMHBFSILZKSW-ZDUSSCGKSA-N 0 3 307.419 2.185 20 30 DEEDHN CC(C)C[C@H](CNCc1cc(C#N)cs1)N1CCOCC1 ZINC000093492231 402016126 /nfs/dbraw/zinc/01/61/26/402016126.db2.gz OJFWTKCGXIGWIC-OAHLLOKOSA-N 0 3 307.463 2.456 20 30 DEEDHN C=CCN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000121216173 402020895 /nfs/dbraw/zinc/02/08/95/402020895.db2.gz XKUAALUAHMMRTL-MRXNPFEDSA-N 0 3 315.461 2.274 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(C#N)s1 ZINC000151223237 402023969 /nfs/dbraw/zinc/02/39/69/402023969.db2.gz RGLOZHNZJWXKNM-UHFFFAOYSA-N 0 3 314.414 2.392 20 30 DEEDHN CC(C)N1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000151569447 402043695 /nfs/dbraw/zinc/04/36/95/402043695.db2.gz UKLIBAXIHDYMPL-UHFFFAOYSA-N 0 3 307.344 2.439 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000120763940 402001501 /nfs/dbraw/zinc/00/15/01/402001501.db2.gz YWLOBFNPURKFPY-OAHLLOKOSA-N 0 3 317.433 2.372 20 30 DEEDHN C=CCCOCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000123718567 402142803 /nfs/dbraw/zinc/14/28/03/402142803.db2.gz AQJRQBBHJKCRCV-KRWDZBQOSA-N 0 3 319.449 2.490 20 30 DEEDHN CCN1CCC[C@H]1CNC(=O)CSc1ccc(C#N)cc1 ZINC000103186597 402180831 /nfs/dbraw/zinc/18/08/31/402180831.db2.gz LNBDYCJXHRRVAI-AWEZNQCLSA-N 0 3 303.431 2.251 20 30 DEEDHN C=CCN(CC=C)C(=O)CN1CCC(C2CCOCC2)CC1 ZINC000153679212 402162341 /nfs/dbraw/zinc/16/23/41/402162341.db2.gz BZCKONBMEWATPD-UHFFFAOYSA-N 0 3 306.450 2.326 20 30 DEEDHN Cc1ccc([C@H](CNC(=O)N(C)C[C@@H](C)C#N)N(C)C)cc1 ZINC000067704838 402169126 /nfs/dbraw/zinc/16/91/26/402169126.db2.gz YTMXEXLQJMPZIU-HOCLYGCPSA-N 0 3 302.422 2.399 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2ncccc2C)CC1 ZINC000106339486 402213443 /nfs/dbraw/zinc/21/34/43/402213443.db2.gz AYORHFNJXBMOEH-UHFFFAOYSA-N 0 3 302.422 2.230 20 30 DEEDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)CCCCC#N ZINC000125131929 402215107 /nfs/dbraw/zinc/21/51/07/402215107.db2.gz KJPUMSIAVNTIEX-OAHLLOKOSA-N 0 3 315.483 2.110 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000106040674 402212080 /nfs/dbraw/zinc/21/20/80/402212080.db2.gz MCCVPUFNKOCGRC-UHFFFAOYSA-N 0 3 313.401 2.094 20 30 DEEDHN CC(C)COC[C@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000126145676 402266952 /nfs/dbraw/zinc/26/69/52/402266952.db2.gz IMYQFXQVRLBTPI-LXPRWKDFSA-N 0 3 302.418 2.233 20 30 DEEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCC(C)(C)C#N ZINC000157422876 402294629 /nfs/dbraw/zinc/29/46/29/402294629.db2.gz FIOCTXMYXLTZON-GFCCVEGCSA-N 0 3 309.435 2.267 20 30 DEEDHN Cn1cc(CNCC2(NC(=O)OC(C)(C)C)CCC2)cc1C#N ZINC000236112258 402365303 /nfs/dbraw/zinc/36/53/03/402365303.db2.gz QFJDXJUDPORXMV-UHFFFAOYSA-N 0 3 318.421 2.434 20 30 DEEDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185856626 402383429 /nfs/dbraw/zinc/38/34/29/402383429.db2.gz NMJMHUAJBPLGEY-CJNGLKHVSA-N 0 3 306.431 2.403 20 30 DEEDHN Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](N(C)C)C2)c(C#N)c1C ZINC000226581895 402328654 /nfs/dbraw/zinc/32/86/54/402328654.db2.gz DPWRGSSDRQSHSM-TZMCWYRMSA-N 0 3 318.421 2.121 20 30 DEEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cnn(C)c1 ZINC000161700796 402396384 /nfs/dbraw/zinc/39/63/84/402396384.db2.gz WFZCKICKEYWLKF-CYBMUJFWSA-N 0 3 310.405 2.006 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000186055925 402398397 /nfs/dbraw/zinc/39/83/97/402398397.db2.gz NWMJYGOCQGCPSV-GOSISDBHSA-N 0 3 315.417 2.095 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000186066098 402398992 /nfs/dbraw/zinc/39/89/92/402398992.db2.gz CFYHYXFXNZGANK-QGZVFWFLSA-N 0 3 322.474 2.393 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2c(C)cnn2-c2ccccc2)CC1 ZINC000177420721 402400247 /nfs/dbraw/zinc/40/02/47/402400247.db2.gz OWHMACXINFZPSS-UHFFFAOYSA-N 0 3 322.412 2.464 20 30 DEEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000177528625 402412934 /nfs/dbraw/zinc/41/29/34/402412934.db2.gz DZTJQHPDFWOGOW-LSDHHAIUSA-N 0 3 300.406 2.236 20 30 DEEDHN N#Cc1cccc(CNC[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000238046343 402434363 /nfs/dbraw/zinc/43/43/63/402434363.db2.gz LXZIMAUOVPOMTD-AWEZNQCLSA-N 0 3 318.323 2.366 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(NC(C)=O)ccc2C)CC1 ZINC000186688142 402455838 /nfs/dbraw/zinc/45/58/38/402455838.db2.gz PYCCNNFYXNWTLZ-UHFFFAOYSA-N 0 3 315.417 2.334 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000245602187 402473986 /nfs/dbraw/zinc/47/39/86/402473986.db2.gz WJWBXBHKSCNRKX-HUUCEWRRSA-N 0 3 304.434 2.496 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@](CC)(CO)C2)CC1 ZINC000187037746 402479819 /nfs/dbraw/zinc/47/98/19/402479819.db2.gz PFUBWXDLFSZPOV-GOSISDBHSA-N 0 3 323.481 2.221 20 30 DEEDHN COC[C@@H](C)ON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000178309132 402483301 /nfs/dbraw/zinc/48/33/01/402483301.db2.gz OJOJLUHUOPHJFO-CQSZACIVSA-N 0 3 305.422 2.344 20 30 DEEDHN C#CCN1CCC(C(=O)NCC2(CCOC)CCCCC2)CC1 ZINC000187472483 402502157 /nfs/dbraw/zinc/50/21/57/402502157.db2.gz WFPUVWBOGQLKSU-UHFFFAOYSA-N 0 3 320.477 2.435 20 30 DEEDHN C=CCC1(C(=O)NCc2ccnc(OCCN(C)C)c2)CCC1 ZINC000189873788 402563794 /nfs/dbraw/zinc/56/37/94/402563794.db2.gz DVHBCNQTUWIQOR-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1C[C@H](C)O ZINC000246262875 402521449 /nfs/dbraw/zinc/52/14/49/402521449.db2.gz AFVIMZKZOVHNCI-RLFYNMQTSA-N 0 3 301.434 2.396 20 30 DEEDHN Cc1cccc(CN(CCN(C)C)C(=O)CSCC#N)c1 ZINC000171337918 402579146 /nfs/dbraw/zinc/57/91/46/402579146.db2.gz XIRPUNPVCPYWEG-UHFFFAOYSA-N 0 3 305.447 2.142 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC000171565914 402595133 /nfs/dbraw/zinc/59/51/33/402595133.db2.gz PCLZUYSKRFWWCA-GOSISDBHSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1[C@H](C)CC(O)C[C@H]1C ZINC000248734536 402605867 /nfs/dbraw/zinc/60/58/67/402605867.db2.gz BLZVLRYRPHXMFV-IIDMSEBBSA-N 0 3 319.445 2.389 20 30 DEEDHN Cc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000180865770 402628046 /nfs/dbraw/zinc/62/80/46/402628046.db2.gz AFDGVFKHVXPOBD-MGPWXQLLSA-N 0 3 313.401 2.480 20 30 DEEDHN C=CCN1CCC(NC(=O)COc2cc(C)ccc2C)CC1 ZINC000171721832 402615121 /nfs/dbraw/zinc/61/51/21/402615121.db2.gz DSQFGAWZGYWFEQ-UHFFFAOYSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCCOC2CCCC2)CC1 ZINC000171728769 402615408 /nfs/dbraw/zinc/61/54/08/402615408.db2.gz SSYIESZJWLGWGT-UHFFFAOYSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000181116967 402635946 /nfs/dbraw/zinc/63/59/46/402635946.db2.gz ICOJXHMFKBEXCK-MRXNPFEDSA-N 0 3 323.481 2.485 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)CS(C)(=O)=O)c([O-])c1 ZINC000172000416 402636607 /nfs/dbraw/zinc/63/66/07/402636607.db2.gz JUERCSIOGCCVSU-HMHNVIDESA-N 0 3 312.435 2.090 20 30 DEEDHN CN(C(=O)CN[C@H](CCO)C(C)(C)C)C1(C#N)CCCCC1 ZINC000181487657 402647315 /nfs/dbraw/zinc/64/73/15/402647315.db2.gz XPTNTIQOCWZQJQ-CQSZACIVSA-N 0 3 309.454 2.058 20 30 DEEDHN COc1ccccc1N1CC[C@@H](NCc2cc(C#N)n(C)c2)C1 ZINC000191314394 402659918 /nfs/dbraw/zinc/65/99/18/402659918.db2.gz ODDJIOZNVCHJPM-OAHLLOKOSA-N 0 3 310.401 2.274 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192039235 402707302 /nfs/dbraw/zinc/70/73/02/402707302.db2.gz BWMUXAFSGSCCJQ-NILFDRSVSA-N 0 3 308.809 2.450 20 30 DEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000173367980 402694612 /nfs/dbraw/zinc/69/46/12/402694612.db2.gz PUIQOXGKMFUEKJ-UONOGXRCSA-N 0 3 318.425 2.039 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)nn2C)CC1 ZINC000174200516 402731659 /nfs/dbraw/zinc/73/16/59/402731659.db2.gz AOUZWVDXDNFJAD-UHFFFAOYSA-N 0 3 304.438 2.314 20 30 DEEDHN C[C@@H](CCNS(=O)(=O)c1ccccc1C#N)N1CCCCC1 ZINC000183287922 402753539 /nfs/dbraw/zinc/75/35/39/402753539.db2.gz DOHNFLJZNUXVPN-AWEZNQCLSA-N 0 3 321.446 2.101 20 30 DEEDHN C=CCN(Cc1ccccc1)C(=O)CCN1CCN(CC)CC1 ZINC000263701681 402792777 /nfs/dbraw/zinc/79/27/77/402792777.db2.gz OSKONFCHHOLRDL-UHFFFAOYSA-N 0 3 315.461 2.229 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183903566 402804182 /nfs/dbraw/zinc/80/41/82/402804182.db2.gz JRVJAIPTCUMYBV-CVEARBPZSA-N 0 3 322.449 2.051 20 30 DEEDHN N#Cc1nccnc1N1CCCN(CCCc2ccccc2)CC1 ZINC000263947825 402823881 /nfs/dbraw/zinc/82/38/81/402823881.db2.gz YXEDRMFWZKCFEP-UHFFFAOYSA-N 0 3 321.428 2.493 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C12CCCCC2 ZINC000375695819 286277884 /nfs/dbraw/zinc/27/78/84/286277884.db2.gz CDVPNPLUVZBEEL-HZPDHXFCSA-N 0 3 321.465 2.466 20 30 DEEDHN CCO[C@@H]1C[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)C12CCCC2 ZINC000450971090 286277928 /nfs/dbraw/zinc/27/79/28/286277928.db2.gz OUHXXMSQGAPSJK-ARFHVFGLSA-N 0 3 321.465 2.322 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2nc(C)cs2)CC1 ZINC000264298068 402864954 /nfs/dbraw/zinc/86/49/54/402864954.db2.gz RERBKULGQMIXDY-AWEZNQCLSA-N 0 3 305.447 2.364 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)nc2)CC1 ZINC000264373654 402872444 /nfs/dbraw/zinc/87/24/44/402872444.db2.gz JSAPZMXKWPZUCO-UHFFFAOYSA-N 0 3 304.394 2.252 20 30 DEEDHN CN(C)C/C=C/C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000265696764 402941047 /nfs/dbraw/zinc/94/10/47/402941047.db2.gz PDUMRCRFNQTIMS-ONEGZZNKSA-N 0 3 313.401 2.046 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCCC[C@H]1O ZINC000272557730 402952920 /nfs/dbraw/zinc/95/29/20/402952920.db2.gz PKQBPQZWMRMDGZ-HZPDHXFCSA-N 0 3 318.417 2.429 20 30 DEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000279588871 402958703 /nfs/dbraw/zinc/95/87/03/402958703.db2.gz RFFGZYRUPQLLMU-XJKSGUPXSA-N 0 3 311.385 2.266 20 30 DEEDHN COC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000272246785 402914265 /nfs/dbraw/zinc/91/42/65/402914265.db2.gz ULMIDWCYVUPUCT-DLBZAZTESA-N 0 3 315.417 2.314 20 30 DEEDHN CN(CCOCC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280105130 402967499 /nfs/dbraw/zinc/96/74/99/402967499.db2.gz PHDNSJZOKAERHY-QGZVFWFLSA-N 0 3 311.385 2.126 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN[C@H](Cc1ccccc1)C1CC1 ZINC000272348821 402926712 /nfs/dbraw/zinc/92/67/12/402926712.db2.gz QGGCWLYWXJRXLY-GOSISDBHSA-N 0 3 324.428 2.253 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCc1cnccn1)C(C)C ZINC000280615847 403019416 /nfs/dbraw/zinc/01/94/16/403019416.db2.gz VUNDPTLIFCAPFD-QGZVFWFLSA-N 0 3 316.449 2.224 20 30 DEEDHN CN(C)[C@]1(CNC(=O)/C=C/c2ccc(C#N)cc2)CCSC1 ZINC000267219685 403026377 /nfs/dbraw/zinc/02/63/77/403026377.db2.gz HUVWKAVCRZJYFO-OZSKJFCKSA-N 0 3 315.442 2.125 20 30 DEEDHN Cc1oc(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c(C#N)c1C ZINC000273109353 402972155 /nfs/dbraw/zinc/97/21/55/402972155.db2.gz XGBFBWAPFPPABD-DOTOQJQBSA-N 0 3 317.389 2.254 20 30 DEEDHN CC[C@H](CSC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280263507 402981454 /nfs/dbraw/zinc/98/14/54/402981454.db2.gz XUWNTKDCTMYUPI-HUUCEWRRSA-N 0 3 301.415 2.498 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000280266020 402981670 /nfs/dbraw/zinc/98/16/70/402981670.db2.gz JWLXXBYGCAFSHG-RDTXWAMCSA-N 0 3 322.412 2.007 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000280945029 403052778 /nfs/dbraw/zinc/05/27/78/403052778.db2.gz WUICQXYTTPBKEC-VYDXJSESSA-N 0 3 323.458 2.420 20 30 DEEDHN CC(C)(C)C[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281684105 403081642 /nfs/dbraw/zinc/08/16/42/403081642.db2.gz UTDCONUFZXPGIE-CVEARBPZSA-N 0 3 313.401 2.154 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268474676 403086662 /nfs/dbraw/zinc/08/66/62/403086662.db2.gz MYKOSHXMNWPFTD-ZFWWWQNUSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268474676 403086664 /nfs/dbraw/zinc/08/66/64/403086664.db2.gz MYKOSHXMNWPFTD-ZFWWWQNUSA-N 0 3 319.453 2.106 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268474676 403086665 /nfs/dbraw/zinc/08/66/65/403086665.db2.gz MYKOSHXMNWPFTD-ZFWWWQNUSA-N 0 3 319.453 2.106 20 30 DEEDHN Cc1nc([C@H]2CCCN(CCOc3ccccc3C#N)C2)n[nH]1 ZINC000268484221 403087350 /nfs/dbraw/zinc/08/73/50/403087350.db2.gz OPPWNLUOHBCWEZ-HNNXBMFYSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1n[nH]c([C@H]2CCCN(CCOc3ccccc3C#N)C2)n1 ZINC000268484221 403087351 /nfs/dbraw/zinc/08/73/51/403087351.db2.gz OPPWNLUOHBCWEZ-HNNXBMFYSA-N 0 3 311.389 2.243 20 30 DEEDHN Cc1nnc([C@H]2CCCN(CCOc3ccccc3C#N)C2)[nH]1 ZINC000268484221 403087352 /nfs/dbraw/zinc/08/73/52/403087352.db2.gz OPPWNLUOHBCWEZ-HNNXBMFYSA-N 0 3 311.389 2.243 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000268512996 403090260 /nfs/dbraw/zinc/09/02/60/403090260.db2.gz CPJIYWYYDFWGGW-JKSUJKDBSA-N 0 3 321.396 2.349 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000275274204 403101197 /nfs/dbraw/zinc/10/11/97/403101197.db2.gz VHGXJCNDDYZGLU-ZIAGYGMSSA-N 0 3 305.378 2.254 20 30 DEEDHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000275924440 403132964 /nfs/dbraw/zinc/13/29/64/403132964.db2.gz KEUSBJISYWPFOB-MRXNPFEDSA-N 0 3 312.417 2.056 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NCC3CC3)nc2)CC1 ZINC000282231149 403134783 /nfs/dbraw/zinc/13/47/83/403134783.db2.gz POYKPEVYNWBZKB-UHFFFAOYSA-N 0 3 314.433 2.284 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H](C)Cc1cccc(Cl)c1 ZINC000282535495 403156039 /nfs/dbraw/zinc/15/60/39/403156039.db2.gz BITDNHVDPNLVII-GFCCVEGCSA-N 0 3 301.839 2.461 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000276448034 403176232 /nfs/dbraw/zinc/17/62/32/403176232.db2.gz PGFPYMMFYCASOF-MRXNPFEDSA-N 0 3 301.434 2.232 20 30 DEEDHN N#Cc1cccc(OCCCN2CC[C@H](N3CCCC3=O)C2)c1 ZINC000270490589 403195817 /nfs/dbraw/zinc/19/58/17/403195817.db2.gz ASQHHFCLYOOEFR-INIZCTEOSA-N 0 3 313.401 2.024 20 30 DEEDHN N#CCCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285419677 403292760 /nfs/dbraw/zinc/29/27/60/403292760.db2.gz BUHGXGHGEFYFBD-IBGZPJMESA-N 0 3 312.461 2.182 20 30 DEEDHN Cc1ncsc1CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292107492 403294780 /nfs/dbraw/zinc/29/47/80/403294780.db2.gz GWUFOHFLROAZNM-CQSZACIVSA-N 0 3 314.414 2.414 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277816405 403259925 /nfs/dbraw/zinc/25/99/25/403259925.db2.gz QLHTZHJZHNPXAF-KKXDTOCCSA-N 0 3 310.401 2.061 20 30 DEEDHN C[C@@H]1CN(CCCNc2cc(C#N)ccc2[N+](=O)[O-])CCCO1 ZINC000277860459 403264774 /nfs/dbraw/zinc/26/47/74/403264774.db2.gz CWRNHMRPSXFIHA-CYBMUJFWSA-N 0 3 318.377 2.379 20 30 DEEDHN C[C@@H]1CN(CCC(=O)N(C)CCC#N)Cc2ccccc2O1 ZINC000292507794 403365985 /nfs/dbraw/zinc/36/59/85/403365985.db2.gz VGATXIUCCIIZEI-CQSZACIVSA-N 0 3 301.390 2.032 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CC(=O)OCC)CC1 ZINC000298282272 403350443 /nfs/dbraw/zinc/35/04/43/403350443.db2.gz DBFCABOGFFUGQH-OAHLLOKOSA-N 0 3 322.449 2.241 20 30 DEEDHN C=CCc1ccc(OC[C@H](O)CN(C)C[C@H](C)OC)c(OC)c1 ZINC000285711700 403363672 /nfs/dbraw/zinc/36/36/72/403363672.db2.gz OXDMGMVIZXLMOY-GOEBONIOSA-N 0 3 323.433 2.130 20 30 DEEDHN COC[C@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000342704649 403314626 /nfs/dbraw/zinc/31/46/26/403314626.db2.gz RZVQVEKNSGCVDQ-HOTGVXAUSA-N 0 3 321.465 2.466 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cnn(C)c1C)C(C)C ZINC000292194957 403317275 /nfs/dbraw/zinc/31/72/75/403317275.db2.gz KEYDJUOBTRTWDY-QGZVFWFLSA-N 0 3 318.465 2.086 20 30 DEEDHN N#CCSCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292224754 403326897 /nfs/dbraw/zinc/32/68/97/403326897.db2.gz PFBBGPJLYIJHIZ-AWEZNQCLSA-N 0 3 302.403 2.053 20 30 DEEDHN CC(C)[C@]1(CO)CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000292996954 403385617 /nfs/dbraw/zinc/38/56/17/403385617.db2.gz ITEYJVCPOQDITC-QZTJIDSGSA-N 0 3 302.418 2.322 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)NCCCCC(C)(C)C)CC1 ZINC000343317344 403537361 /nfs/dbraw/zinc/53/73/61/403537361.db2.gz ZCZRRFWIAHQMHT-UHFFFAOYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000299159837 403537570 /nfs/dbraw/zinc/53/75/70/403537570.db2.gz OEYGLZWLCGLKMZ-UHFFFAOYSA-N 0 3 322.412 2.371 20 30 DEEDHN C[C@H](CNC(=O)COc1ccccc1C#N)N1CCCC[C@@H]1C ZINC000343323393 403539355 /nfs/dbraw/zinc/53/93/55/403539355.db2.gz OJPDGYMTEBBPDK-LSDHHAIUSA-N 0 3 315.417 2.316 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCC)c(OC)c2)CC1 ZINC000299168856 403539957 /nfs/dbraw/zinc/53/99/57/403539957.db2.gz VQUOFYPMMHXORR-UHFFFAOYSA-N 0 3 316.401 2.378 20 30 DEEDHN C=CCNC(=O)CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000286348881 403505203 /nfs/dbraw/zinc/50/52/03/403505203.db2.gz YQRXYTVVTMJUQM-LSDHHAIUSA-N 0 3 310.344 2.157 20 30 DEEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N(C)C ZINC000343242367 403507536 /nfs/dbraw/zinc/50/75/36/403507536.db2.gz YMUIEVUQBKOHFU-CZUORRHYSA-N 0 3 303.406 2.028 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000346599128 403595787 /nfs/dbraw/zinc/59/57/87/403595787.db2.gz ZLSVZLZYHFWBCB-UHFFFAOYSA-N 0 3 321.509 2.465 20 30 DEEDHN CN1CCC[C@]2(CCN(C(=O)c3c(F)cc(C#N)cc3F)C2)C1 ZINC000293926642 403601157 /nfs/dbraw/zinc/60/11/57/403601157.db2.gz IUKGNRQTSFOALY-KRWDZBQOSA-N 0 3 319.355 2.394 20 30 DEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000346161616 403576414 /nfs/dbraw/zinc/57/64/14/403576414.db2.gz DROAHEXSRBITGV-MFKMUULPSA-N 0 3 310.300 2.348 20 30 DEEDHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(C#N)CCc1ccccc1 ZINC000346826110 403604356 /nfs/dbraw/zinc/60/43/56/403604356.db2.gz DVNAANIVCWIIPC-ULQDDVLXSA-N 0 3 300.402 2.378 20 30 DEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000287350701 403580957 /nfs/dbraw/zinc/58/09/57/403580957.db2.gz WHVVWOFEEATQAX-LRDDRELGSA-N 0 3 301.365 2.396 20 30 DEEDHN CCCN(CC(=O)NC1(C#N)CCC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000347050957 403613631 /nfs/dbraw/zinc/61/36/31/403613631.db2.gz JFIUWRRUYIGSKP-LSDHHAIUSA-N 0 3 321.465 2.464 20 30 DEEDHN COC(=O)[C@H](CNC(=O)C(C)C#N)Cc1cccc2ccccc21 ZINC000347101929 403615627 /nfs/dbraw/zinc/61/56/27/403615627.db2.gz HAKDWQQOPWNITD-CJNGLKHVSA-N 0 3 324.380 2.447 20 30 DEEDHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C(C)C#N)ccc2NC1=O ZINC000347189912 403618995 /nfs/dbraw/zinc/61/89/95/403618995.db2.gz APWPSEXOSKDHRU-BREBYQMCSA-N 0 3 301.346 2.133 20 30 DEEDHN COC(=O)[C@H](CNC(=O)C(C)C#N)Cc1ccc2ccccc2c1 ZINC000347104332 403616805 /nfs/dbraw/zinc/61/68/05/403616805.db2.gz JQMMKTHWBLWXEY-DYVFJYSZSA-N 0 3 324.380 2.447 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000347134566 403617470 /nfs/dbraw/zinc/61/74/70/403617470.db2.gz MCEUDDAKXUIGMS-PWSUYJOCSA-N 0 3 322.206 2.304 20 30 DEEDHN CC(C#N)C(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000347142105 403617929 /nfs/dbraw/zinc/61/79/29/403617929.db2.gz VXIDLGHECVMELA-VXGBXAGGSA-N 0 3 307.344 2.330 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1coc(-c2cccs2)n1 ZINC000293989816 403618065 /nfs/dbraw/zinc/61/80/65/403618065.db2.gz NSWMCOFAVNTXJT-UHFFFAOYSA-N 0 3 317.414 2.017 20 30 DEEDHN C#CCC(CC#C)C(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000287617850 403635937 /nfs/dbraw/zinc/63/59/37/403635937.db2.gz PKYJGLRKCWHVLD-GOSISDBHSA-N 0 3 300.446 2.464 20 30 DEEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287631958 403639044 /nfs/dbraw/zinc/63/90/44/403639044.db2.gz FTQLIXSPWDETJY-RTBURBONSA-N 0 3 323.396 2.278 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnccc1C#N ZINC000343725788 403708605 /nfs/dbraw/zinc/70/86/05/403708605.db2.gz FEOUBYLZYQLXNA-KBXCAEBGSA-N 0 3 320.396 2.204 20 30 DEEDHN CC(=O)c1ccc(C#N)c(N2CCC(OCCN(C)C)CC2)c1 ZINC000347413965 403700980 /nfs/dbraw/zinc/70/09/80/403700980.db2.gz LSWYNHQEYDVGKZ-UHFFFAOYSA-N 0 3 315.417 2.308 20 30 DEEDHN CC[C@@H]1Oc2cc([C@H](C)NCCOCCC#N)ccc2NC1=O ZINC000294753138 403728038 /nfs/dbraw/zinc/72/80/38/403728038.db2.gz XUMQZAVHIRBTQM-WFASDCNBSA-N 0 3 317.389 2.377 20 30 DEEDHN C#CCNC(=O)CCNC1(c2ccc(F)cc2F)CCCC1 ZINC000294755185 403729275 /nfs/dbraw/zinc/72/92/75/403729275.db2.gz XYDNTJZSYFNOGI-UHFFFAOYSA-N 0 3 306.356 2.463 20 30 DEEDHN C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000288191484 403740751 /nfs/dbraw/zinc/74/07/51/403740751.db2.gz 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/nfs/dbraw/zinc/90/34/99/403903499.db2.gz YTXOLFOFEJCGMN-HNNXBMFYSA-N 0 3 300.468 2.279 20 30 DEEDHN N#Cc1ccc([C@@H](O)CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000305742981 403925594 /nfs/dbraw/zinc/92/55/94/403925594.db2.gz SYKUOTNRIGUOQW-OALUTQOASA-N 0 3 308.381 2.015 20 30 DEEDHN CO[C@](C)([C@H](C)NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000411963547 404034002 /nfs/dbraw/zinc/03/40/02/404034002.db2.gz CKRZPZDXAGFCBP-YVEFUNNKSA-N 0 3 301.390 2.290 20 30 DEEDHN CNC(=O)NC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000412051200 404091518 /nfs/dbraw/zinc/09/15/18/404091518.db2.gz BLNOPSOOALOHGX-UHFFFAOYSA-N 0 3 314.433 2.381 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H](C)COc2ccccc2)CC1 ZINC000348788430 404098204 /nfs/dbraw/zinc/09/82/04/404098204.db2.gz XXESGKZFDFVPFT-HNNXBMFYSA-N 0 3 302.418 2.468 20 30 DEEDHN CCCN(CCN(C)C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000348296091 404058627 /nfs/dbraw/zinc/05/86/27/404058627.db2.gz DXGYPWAVZFGRFV-QGZVFWFLSA-N 0 3 312.417 2.041 20 30 DEEDHN CCN1C[C@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000348423588 404068518 /nfs/dbraw/zinc/06/85/18/404068518.db2.gz PMUNIVAORIEVBQ-VKJFTORMSA-N 0 3 324.428 2.182 20 30 DEEDHN C[NH+](C)CCCN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000290299171 404114689 /nfs/dbraw/zinc/11/46/89/404114689.db2.gz DWORHEJGGBMKJV-UHFFFAOYSA-N 0 3 309.797 2.353 20 30 DEEDHN O=C(NCCN1CCC2(CCCCC2)CC1)[C@@H]1COCCO1 ZINC000328728693 404139202 /nfs/dbraw/zinc/13/92/02/404139202.db2.gz VSVFMXOUMGSRIY-HNNXBMFYSA-N 0 3 310.438 2.405 20 30 DEEDHN CN1C[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H](c2ccccc2)C1 ZINC000329062576 404217168 /nfs/dbraw/zinc/21/71/68/404217168.db2.gz ZOUIQEXQQANXOI-IKGGRYGDSA-N 0 3 324.428 2.500 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296382574 404221815 /nfs/dbraw/zinc/22/18/15/404221815.db2.gz TWEPWZGZJDWBJY-YUTCNCBUSA-N 0 3 317.414 2.105 20 30 DEEDHN COCCN1CCC(NC(=O)Nc2scnc2C2CC2)CC1 ZINC000328909942 404173307 /nfs/dbraw/zinc/17/33/07/404173307.db2.gz FDEWBRGZMWVTLX-UHFFFAOYSA-N 0 3 324.450 2.457 20 30 DEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000355111440 404224637 /nfs/dbraw/zinc/22/46/37/404224637.db2.gz RBJBYFBGWYAUME-HNNXBMFYSA-N 0 3 300.406 2.194 20 30 DEEDHN CN1CC=C(CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000329174167 404255442 /nfs/dbraw/zinc/25/54/42/404255442.db2.gz AXMQSTDSWLSTHT-CABCVRRESA-N 0 3 309.454 2.346 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000296862912 404346970 /nfs/dbraw/zinc/34/69/70/404346970.db2.gz KOEUIVDQSWVCNP-UHFFFAOYSA-N 0 3 313.445 2.315 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000329390138 404322950 /nfs/dbraw/zinc/32/29/50/404322950.db2.gz UVDWNTQEIUKCAK-UONOGXRCSA-N 0 3 309.454 2.464 20 30 DEEDHN CO[C@](C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000291341132 404381504 /nfs/dbraw/zinc/38/15/04/404381504.db2.gz VGXWYSOWCLNQQQ-CRAIPNDOSA-N 0 3 311.385 2.172 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000352465031 404391303 /nfs/dbraw/zinc/39/13/03/404391303.db2.gz BURFYFHZJRGCKZ-GJZGRUSLSA-N 0 3 312.479 2.007 20 30 DEEDHN CCCN(C)CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000344867234 404413248 /nfs/dbraw/zinc/41/32/48/404413248.db2.gz READKKVNABXUIQ-CYBMUJFWSA-N 0 3 324.222 2.472 20 30 DEEDHN CCc1cnc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)o1 ZINC000329927074 404496275 /nfs/dbraw/zinc/49/62/75/404496275.db2.gz LHVXHIHKDKIWDQ-AWEZNQCLSA-N 0 3 307.394 2.337 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356413676 404508646 /nfs/dbraw/zinc/50/86/46/404508646.db2.gz FAIORZMXEMNILZ-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1C1CCOCC1 ZINC000329742878 404437670 /nfs/dbraw/zinc/43/76/70/404437670.db2.gz WVULWZBGYNSUMG-CJNGLKHVSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H]1C1CCOCC1 ZINC000329742878 404437676 /nfs/dbraw/zinc/43/76/76/404437676.db2.gz WVULWZBGYNSUMG-CJNGLKHVSA-N 0 3 318.421 2.072 20 30 DEEDHN CS[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000329750105 404439877 /nfs/dbraw/zinc/43/98/77/404439877.db2.gz UUUYZZAGVXDJIA-NWDGAFQWSA-N 0 3 308.451 2.399 20 30 DEEDHN CS[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000329750105 404439882 /nfs/dbraw/zinc/43/98/82/404439882.db2.gz UUUYZZAGVXDJIA-NWDGAFQWSA-N 0 3 308.451 2.399 20 30 DEEDHN C=CCCCCCN1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364817753 404538314 /nfs/dbraw/zinc/53/83/14/404538314.db2.gz LZYRSCRDMCZHRP-OAHLLOKOSA-N 0 3 300.468 2.233 20 30 DEEDHN CN1CCC[C@@]2(CCN(C(=O)NCC#Cc3ccccc3)C2)C1 ZINC000297655046 404579503 /nfs/dbraw/zinc/57/95/03/404579503.db2.gz UPGDVQQGEWGONF-LJQANCHMSA-N 0 3 311.429 2.165 20 30 DEEDHN C[C@H](CNC(=O)[C@H]1CCCN1C1CCCC1)c1nncn1C ZINC000330295965 404618632 /nfs/dbraw/zinc/61/86/32/404618632.db2.gz JTKVOGMYDZYBND-TZMCWYRMSA-N 0 3 305.426 2.282 20 30 DEEDHN CCC[NH+]1CCC(NC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000330315005 404623250 /nfs/dbraw/zinc/62/32/50/404623250.db2.gz YIMINTRALJAYLV-UHFFFAOYSA-N 0 3 305.357 2.276 20 30 DEEDHN N#Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)nc2ccccc12 ZINC000330320598 404624585 /nfs/dbraw/zinc/62/45/85/404624585.db2.gz RSQKKWSLMUTQRO-HNNXBMFYSA-N 0 3 322.412 2.265 20 30 DEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330357640 404636516 /nfs/dbraw/zinc/63/65/16/404636516.db2.gz TUNIQFAVQARUNV-CABCVRRESA-N 0 3 309.454 2.154 20 30 DEEDHN Cc1cc(CNCC2(CS(C)(=O)=O)CCC2)ccc1C#N ZINC000414551315 404675760 /nfs/dbraw/zinc/67/57/60/404675760.db2.gz FHAKUJNJXHSSPN-UHFFFAOYSA-N 0 3 306.431 2.171 20 30 DEEDHN N#CC1(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000352892291 404683714 /nfs/dbraw/zinc/68/37/14/404683714.db2.gz JLPNAMYFVWSBDN-IBGZPJMESA-N 0 3 324.472 2.182 20 30 DEEDHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(C)C#N)C1 ZINC000357788019 404743506 /nfs/dbraw/zinc/74/35/06/404743506.db2.gz HZXCEYXUMMJXBQ-JQWIXIFHSA-N 0 3 307.781 2.203 20 30 DEEDHN C[C@H](CNC(=O)NCC(C)(C)C#N)N(C)Cc1ccccc1 ZINC000353107048 404743895 /nfs/dbraw/zinc/74/38/95/404743895.db2.gz CVJIGNAEUZHHMG-CQSZACIVSA-N 0 3 302.422 2.356 20 30 DEEDHN C=CCCCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414876116 404754747 /nfs/dbraw/zinc/75/47/47/404754747.db2.gz VPFUAQRIHWCMFN-UHFFFAOYSA-N 0 3 315.417 2.433 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C(C)C)C(C)(C)O)CC1 ZINC000358433243 404761391 /nfs/dbraw/zinc/76/13/91/404761391.db2.gz UBWDCBGCEXGYBO-HNNXBMFYSA-N 0 3 311.470 2.122 20 30 DEEDHN C=C(C)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375886922 404766006 /nfs/dbraw/zinc/76/60/06/404766006.db2.gz HIZRQMZDBKVAKD-OAHLLOKOSA-N 0 3 309.454 2.190 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353012810 404720590 /nfs/dbraw/zinc/72/05/90/404720590.db2.gz QGOPIRPBPRYYBZ-LESCRADOSA-N 0 3 302.418 2.265 20 30 DEEDHN C[C@H]1COCCN1CCNCc1cccc(OCCCC#N)c1 ZINC000356901951 404721536 /nfs/dbraw/zinc/72/15/36/404721536.db2.gz NGSRREYAUJLRCE-INIZCTEOSA-N 0 3 317.433 2.179 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(N)cn1)C(C)C ZINC000358885936 404779279 /nfs/dbraw/zinc/77/92/79/404779279.db2.gz PHNWINFVAGNIMR-KRWDZBQOSA-N 0 3 316.449 2.021 20 30 DEEDHN C=CCC[C@@H](O)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366376225 404788465 /nfs/dbraw/zinc/78/84/65/404788465.db2.gz DMTNHURIELCRJF-RRFJBIMHSA-N 0 3 310.438 2.255 20 30 DEEDHN CC[C@@H](C)N[C@@H](CNC(=O)C1(C#N)CCOCC1)c1ccco1 ZINC000359546064 404795605 /nfs/dbraw/zinc/79/56/05/404795605.db2.gz PUSHDXSNDDVWMY-KGLIPLIRSA-N 0 3 319.405 2.145 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000359911444 404809321 /nfs/dbraw/zinc/80/93/21/404809321.db2.gz LVRWCVAPPBIGSG-ZDUSSCGKSA-N 0 3 312.285 2.244 20 30 DEEDHN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000353430132 404829321 /nfs/dbraw/zinc/82/93/21/404829321.db2.gz IKHSILRPKDUXPK-AWEZNQCLSA-N 0 3 303.406 2.256 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000353449004 404833947 /nfs/dbraw/zinc/83/39/47/404833947.db2.gz LYFKOGGDKBDJCO-YJBOKZPZSA-N 0 3 307.482 2.216 20 30 DEEDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccccc1C#N ZINC000416666384 404875469 /nfs/dbraw/zinc/87/54/69/404875469.db2.gz WNALTWPAXUPLRC-UHFFFAOYSA-N 0 3 321.446 2.053 20 30 DEEDHN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](CN)CCCC ZINC000415499420 404872208 /nfs/dbraw/zinc/87/22/08/404872208.db2.gz ORRXMGSIPIHLAV-OAHLLOKOSA-N 0 3 317.433 2.377 20 30 DEEDHN C=CCOCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000353889465 404971654 /nfs/dbraw/zinc/97/16/54/404971654.db2.gz AMKMBQQKSNHCJD-INIZCTEOSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CCOc1cccc(CN2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000353742761 404951918 /nfs/dbraw/zinc/95/19/18/404951918.db2.gz AYYQPTPKKHGSBM-SFHVURJKSA-N 0 3 300.402 2.354 20 30 DEEDHN COC(=O)c1cc(NC(=O)[C@H](N)CCCC#N)cc(C)c1C ZINC000424113733 405009735 /nfs/dbraw/zinc/00/97/35/405009735.db2.gz OHRYUTPWRTXNPM-CQSZACIVSA-N 0 3 303.362 2.050 20 30 DEEDHN CO[C@H](CNC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424128242 405015569 /nfs/dbraw/zinc/01/55/69/405015569.db2.gz RHANBNHCKVJABC-UONOGXRCSA-N 0 3 309.797 2.165 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000424138408 405017965 /nfs/dbraw/zinc/01/79/65/405017965.db2.gz MPIQRKANGLSNKA-HNNXBMFYSA-N 0 3 318.377 2.055 20 30 DEEDHN CCCN1Cc2cccc(NC(=O)[C@H](N)CCCC#N)c2C1 ZINC000424157518 405025551 /nfs/dbraw/zinc/02/55/51/405025551.db2.gz PRMQZEVYVLQCQO-OAHLLOKOSA-N 0 3 300.406 2.372 20 30 DEEDHN CC#CCCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000435929220 405028215 /nfs/dbraw/zinc/02/82/15/405028215.db2.gz RJQNTZCAABYDBP-IRXDYDNUSA-N 0 3 314.433 2.129 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000424177598 405031038 /nfs/dbraw/zinc/03/10/38/405031038.db2.gz UTDXKBWHTXMLPB-HRCADAONSA-N 0 3 301.390 2.044 20 30 DEEDHN N#Cc1ccc(C2=CCN(CCN3CCCOCC3)CC2)cc1 ZINC000361344427 405032262 /nfs/dbraw/zinc/03/22/62/405032262.db2.gz AKPLKMTZIXWJHD-UHFFFAOYSA-N 0 3 311.429 2.370 20 30 DEEDHN CC1(C#N)CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000361208271 404974943 /nfs/dbraw/zinc/97/49/43/404974943.db2.gz IJJFRPWBPNDHCM-HNNXBMFYSA-N 0 3 315.392 2.410 20 30 DEEDHN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C(C)C#N)n1 ZINC000361386782 405050687 /nfs/dbraw/zinc/05/06/87/405050687.db2.gz OWYHWLFOYZXMNC-ONGXEEELSA-N 0 3 307.375 2.143 20 30 DEEDHN C=CCn1cc(CNC2CCC(C)(C(=O)OCC)CC2)nn1 ZINC000424289862 405059966 /nfs/dbraw/zinc/05/99/66/405059966.db2.gz AMPUJKRYRPCKCJ-UHFFFAOYSA-N 0 3 306.410 2.066 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@H]2CCCCN2CCCC)nn1 ZINC000424621301 405131491 /nfs/dbraw/zinc/13/14/91/405131491.db2.gz APESXNMPUHQGNQ-OAHLLOKOSA-N 0 3 319.453 2.239 20 30 DEEDHN COC[C@H]1CCCCN1CCOc1ccc(C#N)cc1OC ZINC000452044089 405138732 /nfs/dbraw/zinc/13/87/32/405138732.db2.gz VXGSZSYSAJMZQH-OAHLLOKOSA-N 0 3 304.390 2.447 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000437779966 405219211 /nfs/dbraw/zinc/21/92/11/405219211.db2.gz VENWTLXCHJWMCG-JYJNAYRXSA-N 0 3 309.454 2.141 20 30 DEEDHN Cc1oc(NC(=O)CN(C)[C@H]2CCN(C(C)C)C2)c(C#N)c1C ZINC000452117049 405177777 /nfs/dbraw/zinc/17/77/77/405177777.db2.gz NISFHMXCEHEOPF-AWEZNQCLSA-N 0 3 318.421 2.121 20 30 DEEDHN C=CCSc1ccccc1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000419971847 405276072 /nfs/dbraw/zinc/27/60/72/405276072.db2.gz FLBRCAGIDTZLLB-KRWDZBQOSA-N 0 3 322.474 2.397 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)cc1OC ZINC000425357038 405279114 /nfs/dbraw/zinc/27/91/14/405279114.db2.gz ONCXCRKRVXERLE-CQSZACIVSA-N 0 3 314.389 2.368 20 30 DEEDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(C#N)cc1Cl ZINC000439446855 405279654 /nfs/dbraw/zinc/27/96/54/405279654.db2.gz QSFUOCYCWTVZFD-ZDUSSCGKSA-N 0 3 321.852 2.489 20 30 DEEDHN C=CCn1cc(CN[C@H](C)CCc2ccc(OC)c(O)c2)nn1 ZINC000425361660 405281099 /nfs/dbraw/zinc/28/10/99/405281099.db2.gz ZURVMLMURXHPQJ-CYBMUJFWSA-N 0 3 316.405 2.289 20 30 DEEDHN COC[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000445813297 405357161 /nfs/dbraw/zinc/35/71/61/405357161.db2.gz GPWGHKJYWBWMHR-OAHLLOKOSA-N 0 3 317.433 2.121 20 30 DEEDHN C=C(CC)CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000454302581 405325130 /nfs/dbraw/zinc/32/51/30/405325130.db2.gz CJLGCVYEMNOSHY-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN CN(C)C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000425870473 405325785 /nfs/dbraw/zinc/32/57/85/405325785.db2.gz VWEBNBNBAUZIOG-MAZHCROVSA-N 0 3 318.396 2.420 20 30 DEEDHN CC[C@]1(O)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000425925135 405330570 /nfs/dbraw/zinc/33/05/70/405330570.db2.gz IJFYUQPAKUMTEW-SFHVURJKSA-N 0 3 310.401 2.306 20 30 DEEDHN C=C(CC)CNC(=O)NCc1ccccc1OCCN(C)C ZINC000454405572 405342071 /nfs/dbraw/zinc/34/20/71/405342071.db2.gz FOWHLGFTDQZALP-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(C)CC1 ZINC000425491620 405299117 /nfs/dbraw/zinc/29/91/17/405299117.db2.gz MKTCTNYPYPMZFF-ZDUSSCGKSA-N 0 3 300.406 2.355 20 30 DEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COCC(F)(F)F ZINC000425540192 405299680 /nfs/dbraw/zinc/29/96/80/405299680.db2.gz VCXAPCLFKUINKA-SMDDNHRTSA-N 0 3 316.323 2.491 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420784479 405383885 /nfs/dbraw/zinc/38/38/85/405383885.db2.gz GXYYDVCYSGKJMO-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCC1(C(=O)NCCCN2CCN(C)CC2)CCCCC1 ZINC000448596739 405425230 /nfs/dbraw/zinc/42/52/30/405425230.db2.gz MOGWDCQZMJVIRC-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1c(F)cc(C#N)cc1F ZINC000446039630 405366589 /nfs/dbraw/zinc/36/65/89/405366589.db2.gz PFWXKRSXOYDSNY-QMTHXVAHSA-N 0 3 307.344 2.249 20 30 DEEDHN Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CCCN2C)c(C#N)c1C ZINC000421016075 405429775 /nfs/dbraw/zinc/42/97/75/405429775.db2.gz XSVXNUDWOPEPQM-JSGCOSHPSA-N 0 3 318.421 2.121 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000421049789 405440736 /nfs/dbraw/zinc/44/07/36/405440736.db2.gz CZYZDHJNVPIIEQ-ZDUSSCGKSA-N 0 3 302.378 2.125 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NCc1ccccc1 ZINC000429715829 405444607 /nfs/dbraw/zinc/44/46/07/405444607.db2.gz JCTXQKSXEBHUAB-INIZCTEOSA-N 0 3 303.450 2.131 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000448813128 405451300 /nfs/dbraw/zinc/45/13/00/405451300.db2.gz QDKQQJASWUYNFY-IKGGRYGDSA-N 0 3 302.418 2.305 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1cnc(C)o1)C(C)C ZINC000457757587 405467117 /nfs/dbraw/zinc/46/71/17/405467117.db2.gz UFHZWYJLZMTPDW-MRXNPFEDSA-N 0 3 320.437 2.481 20 30 DEEDHN N#CC1(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000577570450 405468289 /nfs/dbraw/zinc/46/82/89/405468289.db2.gz HVJBKYKTRSMXLS-INIZCTEOSA-N 0 3 312.417 2.254 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)c1 ZINC000528917471 405743677 /nfs/dbraw/zinc/74/36/77/405743677.db2.gz GGGGBDBNULCYJP-OAHLLOKOSA-N 0 3 324.340 2.188 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)cc1 ZINC000528920777 405744714 /nfs/dbraw/zinc/74/47/14/405744714.db2.gz UXHXOGNELOLFGD-OAHLLOKOSA-N 0 3 324.340 2.188 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494703177 405751030 /nfs/dbraw/zinc/75/10/30/405751030.db2.gz NDIHRFIXRRBMIJ-ZACQAIPSSA-N 0 3 315.417 2.125 20 30 DEEDHN N#Cc1nccc(NCC2CCN(Cc3cccs3)CC2)n1 ZINC000568782552 292367881 /nfs/dbraw/zinc/36/78/81/292367881.db2.gz UNJLGGKEGKYSCW-UHFFFAOYSA-N 0 3 313.430 2.156 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495653766 405928196 /nfs/dbraw/zinc/92/81/96/405928196.db2.gz CIEOLHYTCFVPQU-RDBSUJKOSA-N 0 3 311.426 2.150 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2ccc3[nH]c(=O)oc3c2)nc(C)n1 ZINC000619752973 405930597 /nfs/dbraw/zinc/93/05/97/405930597.db2.gz LOHWNPFHCXMGLK-NSHDSACASA-N 0 3 308.297 2.430 20 30 DEEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)Cn1cccn1 ZINC000433232258 405905576 /nfs/dbraw/zinc/90/55/76/405905576.db2.gz ZULJCXSUTJVPQF-DOTOQJQBSA-N 0 3 310.401 2.408 20 30 DEEDHN C=C(Br)CN[C@@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000495560757 405923097 /nfs/dbraw/zinc/92/30/97/405923097.db2.gz RSXYCYLEMFBJLD-WDEREUQCSA-N 0 3 305.216 2.352 20 30 DEEDHN C[C@@H]1CCCCN1CCCNS(=O)(=O)CC(C)(C)CC#N ZINC000451009852 406016048 /nfs/dbraw/zinc/01/60/48/406016048.db2.gz RJUODICBWYANJF-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN COc1ccc([C@@H](CO)CNCc2ccc(C#N)s2)cc1 ZINC000459728182 406022701 /nfs/dbraw/zinc/02/27/01/406022701.db2.gz FXQLBRQWKZURGQ-CYBMUJFWSA-N 0 3 302.399 2.494 20 30 DEEDHN COCC1(C#N)CCN(C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450930869 405990184 /nfs/dbraw/zinc/99/01/84/405990184.db2.gz NVKPFZNWJMENDW-WBVHZDCISA-N 0 3 302.418 2.403 20 30 DEEDHN CN(C)CCn1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)n1 ZINC000566445053 406088705 /nfs/dbraw/zinc/08/87/05/406088705.db2.gz WVBHUBDROGZZBW-QGZVFWFLSA-N 0 3 317.437 2.037 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)Cc1c(F)cccc1C#N ZINC000505324636 406052572 /nfs/dbraw/zinc/05/25/72/406052572.db2.gz CGSKMQMNYBGQGG-CYBMUJFWSA-N 0 3 303.381 2.230 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC(F)(F)CC2)CC1 ZINC000636741425 406068798 /nfs/dbraw/zinc/06/87/98/406068798.db2.gz WCKIRCWBOXPQFE-UHFFFAOYSA-N 0 3 301.381 2.468 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000565229178 406071257 /nfs/dbraw/zinc/07/12/57/406071257.db2.gz PWGKBYXSFZNSGU-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634274424 406078092 /nfs/dbraw/zinc/07/80/92/406078092.db2.gz IFXHUWNNDFXNLT-KSZLIROESA-N 0 3 314.429 2.277 20 30 DEEDHN CN1CCC[C@H](CNc2ncncc2C#N)[C@@H]1c1cccs1 ZINC000519547833 406210705 /nfs/dbraw/zinc/21/07/05/406210705.db2.gz ZANUODFHEVWVCU-IUODEOHRSA-N 0 3 313.430 2.327 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ncc2C)CC1 ZINC000536620024 406270966 /nfs/dbraw/zinc/27/09/66/406270966.db2.gz PQXACFGMCKRRRB-UHFFFAOYSA-N 0 3 302.422 2.282 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCC[C@H]1C ZINC000487997096 406282688 /nfs/dbraw/zinc/28/26/88/406282688.db2.gz DNMKGFYPBYJETN-BFYDXBDKSA-N 0 3 309.454 2.178 20 30 DEEDHN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000487999856 406283004 /nfs/dbraw/zinc/28/30/04/406283004.db2.gz NNGQPHLPBRDNAF-WMLDXEAASA-N 0 3 314.433 2.157 20 30 DEEDHN C=CCCCS(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000489667140 406424327 /nfs/dbraw/zinc/42/43/27/406424327.db2.gz QHDBMHLBNNMLDJ-ZBFHGGJFSA-N 0 3 312.479 2.231 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000490575257 406471368 /nfs/dbraw/zinc/47/13/68/406471368.db2.gz PXAPABCFOCOOBL-OAHLLOKOSA-N 0 3 314.429 2.175 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nc(C)n2)CC1 ZINC000640409202 406492251 /nfs/dbraw/zinc/49/22/51/406492251.db2.gz CMWKWXJNCSXADI-UHFFFAOYSA-N 0 3 303.410 2.255 20 30 DEEDHN C#C[C@H](CC)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000491208965 406544588 /nfs/dbraw/zinc/54/45/88/406544588.db2.gz BAYORJXTSWSWIX-IJLUTSLNSA-N 0 3 304.356 2.423 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC=C(c2ccccc2)C1 ZINC000491255083 406555195 /nfs/dbraw/zinc/55/51/95/406555195.db2.gz VNXVYPYDAKVKJY-UHFFFAOYSA-N 0 3 311.429 2.440 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 ZINC000491295221 406563711 /nfs/dbraw/zinc/56/37/11/406563711.db2.gz GCVRZZQYSWWPDS-HNNXBMFYSA-N 0 3 319.424 2.353 20 30 DEEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491450526 406595141 /nfs/dbraw/zinc/59/51/41/406595141.db2.gz AXCRVGGQAHCDCX-CHWSQXEVSA-N 0 3 304.390 2.422 20 30 DEEDHN C#CCN(C[C@H](O)CO[C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000491370656 406579460 /nfs/dbraw/zinc/57/94/60/406579460.db2.gz ADNGTEFPEKLZMS-AYBZRNKSSA-N 0 3 317.429 2.022 20 30 DEEDHN C#CCN(C)CCCNC(=S)N[C@@H](C)Cc1ccccc1 ZINC000491407193 406586786 /nfs/dbraw/zinc/58/67/86/406586786.db2.gz QPLTXFKTOVYDHJ-HNNXBMFYSA-N 0 3 303.475 2.037 20 30 DEEDHN C=CCn1c(C)cc(C(=O)Cn2cc([C@@H](N)C(C)C)nn2)c1C ZINC000640800519 406669415 /nfs/dbraw/zinc/66/94/15/406669415.db2.gz QOJJGALQIPEXSF-KRWDZBQOSA-N 0 3 315.421 2.421 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1coc2cc(F)ccc12 ZINC000491691215 406670001 /nfs/dbraw/zinc/67/00/01/406670001.db2.gz FOXHGMOJSWRABC-UHFFFAOYSA-N 0 3 302.349 2.186 20 30 DEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000491702388 406676549 /nfs/dbraw/zinc/67/65/49/406676549.db2.gz GDVNJCZNCYQSTN-DGCLKSJQSA-N 0 3 312.207 2.142 20 30 DEEDHN CN(C)CCOC1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000572332422 406643430 /nfs/dbraw/zinc/64/34/30/406643430.db2.gz JVNRTXSNCMZBIT-GOSISDBHSA-N 0 3 319.449 2.030 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)c1ccc(OC)cc1 ZINC000491643004 406646720 /nfs/dbraw/zinc/64/67/20/406646720.db2.gz CRAQSKANIRABER-CCEZHUSRSA-N 0 3 300.402 2.170 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000491815971 406734289 /nfs/dbraw/zinc/73/42/89/406734289.db2.gz RCXAHATVQJLJDR-CQSZACIVSA-N 0 3 321.808 2.028 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@@H](C)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000640920629 406741711 /nfs/dbraw/zinc/74/17/11/406741711.db2.gz PARRNLUJSYRILI-TZMCWYRMSA-N 0 3 305.426 2.086 20 30 DEEDHN N#Cc1ccc(CN[C@@]2(CO)COc3ccccc3C2)cc1F ZINC000527769183 406743763 /nfs/dbraw/zinc/74/37/63/406743763.db2.gz JUQLJRPZDQKUCA-SFHVURJKSA-N 0 3 312.344 2.153 20 30 DEEDHN C=CCCCCn1cc(-c2cccc(NC(=O)CNC)c2)nn1 ZINC000640939247 406751325 /nfs/dbraw/zinc/75/13/25/406751325.db2.gz MSZJAQDOOOBXKE-UHFFFAOYSA-N 0 3 313.405 2.459 20 30 DEEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C/CN(C)C)c1 ZINC000491873869 406758956 /nfs/dbraw/zinc/75/89/56/406758956.db2.gz VBSZSJVBOLTXTH-PPYMECGQSA-N 0 3 301.390 2.102 20 30 DEEDHN Cc1ccc2oc(CNC[C@@H](O)CN(C)CCC#N)cc2c1 ZINC000573022303 406767986 /nfs/dbraw/zinc/76/79/86/406767986.db2.gz ZTAFSPDRAQHMKZ-OAHLLOKOSA-N 0 3 301.390 2.037 20 30 DEEDHN CC#CC[C@@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000641769365 406888267 /nfs/dbraw/zinc/88/82/67/406888267.db2.gz UEFPBZITPQTXMT-SFHVURJKSA-N 0 3 311.429 2.412 20 30 DEEDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000295817825 225273708 /nfs/dbraw/zinc/27/37/08/225273708.db2.gz BTAKLKNUNIPQBX-WMLDXEAASA-N 0 3 301.390 2.290 20 30 DEEDHN CN(C)Cc1ccc(-c2noc(C3(C#N)CCOCC3)n2)cc1 ZINC000267038757 225343331 /nfs/dbraw/zinc/34/33/31/225343331.db2.gz CHJYRWVGPOMZSF-UHFFFAOYSA-N 0 3 312.373 2.370 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc(Cl)c2)CCN1C ZINC000330901066 226041770 /nfs/dbraw/zinc/04/17/70/226041770.db2.gz KFURQRXIDPCQLA-BXUZGUMPSA-N 0 3 323.824 2.244 20 30 DEEDHN CC(C#N)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000340440651 226201462 /nfs/dbraw/zinc/20/14/62/226201462.db2.gz QGLYZDYWJDARDB-MFKMUULPSA-N 0 3 310.300 2.348 20 30 DEEDHN N#CCCn1cc(CNC[C@H](O)C2CC2)c(-c2ccccc2)n1 ZINC000371658170 227076580 /nfs/dbraw/zinc/07/65/80/227076580.db2.gz WQWOEZINMMFPHD-KRWDZBQOSA-N 0 3 310.401 2.324 20 30 DEEDHN CN(C)CCOc1ccc(NC(=O)C2(C#N)CCC2)c(F)c1 ZINC000413899308 228393908 /nfs/dbraw/zinc/39/39/08/228393908.db2.gz IHSJGKGHUKXPEA-UHFFFAOYSA-N 0 3 305.353 2.398 20 30 DEEDHN CN(C)C1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000302129696 230111329 /nfs/dbraw/zinc/11/13/29/230111329.db2.gz JRTMYTOOZZWMKL-UHFFFAOYSA-N 0 3 318.327 2.458 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)C(C)(F)F)C1 ZINC001368903197 1148758833 /nfs/dbraw/zinc/75/88/33/1148758833.db2.gz RDQLELCPCPTWGT-UHFFFAOYSA-N 0 3 311.170 2.035 20 30 DEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cnc2ccccc2c1 ZINC000525802447 424831634 /nfs/dbraw/zinc/83/16/34/424831634.db2.gz BGEZSSHYFILUHW-UHFFFAOYSA-N 0 3 320.400 2.476 20 30 DEEDHN CCC[C@@H]1CN(Cc2cccc(C#N)c2)CCN1CCOC ZINC000179670479 266070307 /nfs/dbraw/zinc/07/03/07/266070307.db2.gz KBDGADOJWKNUSM-GOSISDBHSA-N 0 3 301.434 2.491 20 30 DEEDHN CCN1CCCC[C@H]1CNC(=O)c1csc(NC2CC2)n1 ZINC000330247830 424908631 /nfs/dbraw/zinc/90/86/31/424908631.db2.gz ZAGQMBGWFVMRAA-LBPRGKRZSA-N 0 3 308.451 2.896 20 30 DEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000649362820 425001177 /nfs/dbraw/zinc/00/11/77/425001177.db2.gz KEEUOTRQBHHOMF-CQSZACIVSA-N 0 3 323.824 2.323 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CC2)C2CCOCC2)CC1 ZINC000650852748 425066904 /nfs/dbraw/zinc/06/69/04/425066904.db2.gz PNICKAMSAYAXOH-KRWDZBQOSA-N 0 3 321.465 2.141 20 30 DEEDHN FC1(F)C[C@@]12CCN(CC#CCN1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649908109 425099734 /nfs/dbraw/zinc/09/97/34/425099734.db2.gz HAEZHNQQUBPGEI-ZIAGYGMSSA-N 0 3 316.342 2.452 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000652340242 425242515 /nfs/dbraw/zinc/24/25/15/425242515.db2.gz HDWDIHQEVRFVPN-JONQDZQNSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC(C)CC1)[C@H](C)COC ZINC000663849633 425250519 /nfs/dbraw/zinc/25/05/19/425250519.db2.gz UEMPJBPTLKPYSX-JKSUJKDBSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@H](OC)C2CCCC2)CC1 ZINC000660704341 425212096 /nfs/dbraw/zinc/21/20/96/425212096.db2.gz MHDYXUQUTUPUCF-INIZCTEOSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661120641 425328369 /nfs/dbraw/zinc/32/83/69/425328369.db2.gz PZCZDMMYUJFHKF-ZACQAIPSSA-N 0 3 323.481 2.387 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC(COC)(C3CCC3)C2)CC1 ZINC000664018624 425289711 /nfs/dbraw/zinc/28/97/11/425289711.db2.gz ALKSAOBEOUYUAE-UHFFFAOYSA-N 0 3 321.465 2.095 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)CO)CC1 ZINC000664017429 425289806 /nfs/dbraw/zinc/28/98/06/425289806.db2.gz WNFXJABRMLMEPA-RDJZCZTQSA-N 0 3 323.481 2.219 20 30 DEEDHN C=CCCn1cc(CN[C@H](Cc2ccccc2)CN(C)C)nn1 ZINC000657324222 425304412 /nfs/dbraw/zinc/30/44/12/425304412.db2.gz OYTPPQXPWARUPO-QGZVFWFLSA-N 0 3 313.449 2.117 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000654431771 425352316 /nfs/dbraw/zinc/35/23/16/425352316.db2.gz ZFHZMCPYBPIXOZ-SJORKVTESA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCOc1ccc(CNC[C@H](OC)[C@@H]2CCOC2)cc1OC ZINC000657545001 425361697 /nfs/dbraw/zinc/36/16/97/425361697.db2.gz RMYQCVSFJIBYCB-QAPCUYQASA-N 0 3 321.417 2.401 20 30 DEEDHN C=CCCOCC(=O)N1CCC[C@H](N)[C@@H]1c1ccccc1OC ZINC000654830338 425451656 /nfs/dbraw/zinc/45/16/56/425451656.db2.gz VWKRVLAPOSBZRM-YJBOKZPZSA-N 0 3 318.417 2.279 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCOC)CCN(C)C ZINC000665394946 425561294 /nfs/dbraw/zinc/56/12/94/425561294.db2.gz XWTTUJDFQRKFEO-CVEARBPZSA-N 0 3 311.470 2.341 20 30 DEEDHN C=CCOCCCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659373108 425588849 /nfs/dbraw/zinc/58/88/49/425588849.db2.gz QVAQSQYNYZMSJL-INIZCTEOSA-N 0 3 304.390 2.269 20 30 DEEDHN C=CCCC1(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)CCCC1 ZINC000659717171 425644244 /nfs/dbraw/zinc/64/42/44/425644244.db2.gz FFTMJGNQMOGJCD-OAHLLOKOSA-N 0 3 323.481 2.119 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCCC1 ZINC000516049946 269356336 /nfs/dbraw/zinc/35/63/36/269356336.db2.gz FMGUPSNJJQETOI-HNNXBMFYSA-N 0 3 321.446 2.285 20 30 DEEDHN CC[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000517024779 269375102 /nfs/dbraw/zinc/37/51/02/269375102.db2.gz CQKPUJHOTQOMQL-UKRRQHHQSA-N 0 3 321.446 2.285 20 30 DEEDHN CS[C@H]1CN(C(=O)Nc2cccc(C#N)c2C)C[C@H]1N(C)C ZINC000330839711 274185696 /nfs/dbraw/zinc/18/56/96/274185696.db2.gz ZBKIKJOPRAHIMS-CABCVRRESA-N 0 3 318.446 2.390 20 30 DEEDHN C=C(CC)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001348792928 1151196341 /nfs/dbraw/zinc/19/63/41/1151196341.db2.gz FEFBSDCOBKQKRY-UHFFFAOYSA-N 0 3 315.461 2.229 20 30 DEEDHN C#CCN1CCC(C(=O)NC2(c3ccc(F)cc3)CC2)CC1 ZINC000490780266 275382248 /nfs/dbraw/zinc/38/22/48/275382248.db2.gz INOPKTVMYNLWOW-UHFFFAOYSA-N 0 3 300.377 2.276 20 30 DEEDHN C#CCNC(=O)CCN[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000491703637 275383438 /nfs/dbraw/zinc/38/34/38/275383438.db2.gz JUIAQYAKNMTJTN-LRDDRELGSA-N 0 3 308.809 2.145 20 30 DEEDHN CN(C(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1(C#N)CCCCC1 ZINC000333417237 276726350 /nfs/dbraw/zinc/72/63/50/276726350.db2.gz LEDPCNXQAVEQNT-IMJJTQAJSA-N 0 3 319.449 2.074 20 30 DEEDHN CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cn2)CC1 ZINC000192645189 277113117 /nfs/dbraw/zinc/11/31/17/277113117.db2.gz GMSQCJDMZAGZMH-NVXWUHKLSA-N 0 3 313.449 2.005 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CC[C@H](C)C1 ZINC000362156122 277215190 /nfs/dbraw/zinc/21/51/90/277215190.db2.gz MEXGYLPQGFHMSI-ZMSDIMECSA-N 0 3 309.454 2.178 20 30 DEEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000353180060 277227755 /nfs/dbraw/zinc/22/77/55/277227755.db2.gz JXRHZGBTUWBORM-INIZCTEOSA-N 0 3 315.417 2.448 20 30 DEEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000276929061 277284679 /nfs/dbraw/zinc/28/46/79/277284679.db2.gz ILFZSBAMVQIDJM-IAGOWNOFSA-N 0 3 315.417 2.480 20 30 DEEDHN CO/N=C/C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000283701646 277306415 /nfs/dbraw/zinc/30/64/15/277306415.db2.gz ILKYFSAWHARDKY-LGVDJVPISA-N 0 3 303.406 2.130 20 30 DEEDHN COC[C@@H](C)ON=C(N)c1ccccc1CN1CCCCC1 ZINC000178309319 277563275 /nfs/dbraw/zinc/56/32/75/277563275.db2.gz WICJWURRLWAKGX-CQSZACIVSA-N 0 3 305.422 2.344 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000438455068 277808937 /nfs/dbraw/zinc/80/89/37/277808937.db2.gz LUJIDKKGYBGIIN-DOTOQJQBSA-N 0 3 323.481 2.483 20 30 DEEDHN C=CCC1(CNC(=O)N(CCOC)CCN(C)C)CCCC1 ZINC000459049848 277825998 /nfs/dbraw/zinc/82/59/98/277825998.db2.gz LRRNSIVOZIINKS-UHFFFAOYSA-N 0 3 311.470 2.343 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CCCOC)C(C)C ZINC000299278832 277850262 /nfs/dbraw/zinc/85/02/62/277850262.db2.gz FISMJQVQRWVAAB-MRXNPFEDSA-N 0 3 311.470 2.363 20 30 DEEDHN CC1(C#N)CCN(CCOCCN2CCC(C)(C#N)CC2)CC1 ZINC000356433889 278171312 /nfs/dbraw/zinc/17/13/12/278171312.db2.gz MTRLUOIIVZCOMR-UHFFFAOYSA-N 0 3 318.465 2.254 20 30 DEEDHN C[C@@H](CCC#N)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000411437942 278226460 /nfs/dbraw/zinc/22/64/60/278226460.db2.gz BBMBHZZNEQYJJR-GVDBMIGSSA-N 0 3 323.481 2.269 20 30 DEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328702886 288071794 /nfs/dbraw/zinc/07/17/94/288071794.db2.gz NYEWCICJDSHHJM-HZSPNIEDSA-N 0 3 322.453 2.214 20 30 DEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(C#N)CC1 ZINC000455184217 278979037 /nfs/dbraw/zinc/97/90/37/278979037.db2.gz QTTDXKDRDGCPPC-INIZCTEOSA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000574237736 326136153 /nfs/dbraw/zinc/13/61/53/326136153.db2.gz UTGDIIOCFKQGMX-ZIAGYGMSSA-N 0 3 321.446 2.143 20 30 DEEDHN Cn1cc(CNc2ccc(CN3CCN(C)CC3)cc2)cc1C#N ZINC000574618849 326171578 /nfs/dbraw/zinc/17/15/78/326171578.db2.gz VOBBHGMISMMHHJ-UHFFFAOYSA-N 0 3 323.444 2.256 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc(C#N)n1 ZINC000575866125 326251799 /nfs/dbraw/zinc/25/17/99/326251799.db2.gz GSSZEXBAGTVHOY-CYBMUJFWSA-N 0 3 301.394 2.195 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255171151 331722042 /nfs/dbraw/zinc/72/20/42/331722042.db2.gz WAQYUIMSKJUDND-FPLPWBNLSA-N 0 3 315.373 2.375 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000569352139 332023110 /nfs/dbraw/zinc/02/31/10/332023110.db2.gz VPOUHGCLMJRXQJ-QGZVFWFLSA-N 0 3 318.461 2.181 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1(C#N)CC1 ZINC000559334058 332028510 /nfs/dbraw/zinc/02/85/10/332028510.db2.gz GCPSBYBUMIDJFC-ZBFHGGJFSA-N 0 3 312.417 2.110 20 30 DEEDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)NC1(C#N)CCC1 ZINC000560446439 332340602 /nfs/dbraw/zinc/34/06/02/332340602.db2.gz RDONRTCOJHPXFX-NWDGAFQWSA-N 0 3 311.389 2.164 20 30 DEEDHN Cc1cc(N2CCC(NC[C@H](C#N)CCC#N)CC2)nc(C)n1 ZINC000583417321 332395707 /nfs/dbraw/zinc/39/57/07/332395707.db2.gz VCBYGINJCNNCJQ-HNNXBMFYSA-N 0 3 312.421 2.095 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000571532228 333814410 /nfs/dbraw/zinc/81/44/10/333814410.db2.gz ORBSWIIPARCMTC-CYBMUJFWSA-N 0 3 315.417 2.132 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000332565797 336174798 /nfs/dbraw/zinc/17/47/98/336174798.db2.gz SOEIHPHYKMWFEI-HZMVEIRTSA-N 0 3 323.481 2.387 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000332602074 336175777 /nfs/dbraw/zinc/17/57/77/336175777.db2.gz LKXRIUXBDICISV-FHERZECASA-N 0 3 306.454 2.347 20 30 DEEDHN C=C(C)CN1CCC(Nc2cc(CC)nc3ncnn32)CC1 ZINC000301175874 336293317 /nfs/dbraw/zinc/29/33/17/336293317.db2.gz LURMWKMLFOWATF-UHFFFAOYSA-N 0 3 300.410 2.139 20 30 DEEDHN C=CCn1nnnc1SCCN(C)Cc1ccc(F)cc1 ZINC000185688511 337250108 /nfs/dbraw/zinc/25/01/08/337250108.db2.gz IPSVKGONCWDJRL-UHFFFAOYSA-N 0 3 307.398 2.222 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)C1 ZINC000516157467 338006674 /nfs/dbraw/zinc/00/66/74/338006674.db2.gz MNVILDKALXHQJK-BQJWPVKWSA-N 0 3 318.465 2.440 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](O)(CC)C1)C(C)C ZINC000429937594 338092468 /nfs/dbraw/zinc/09/24/68/338092468.db2.gz CLVWSXYDLBBKOP-WMZOPIPTSA-N 0 3 323.481 2.241 20 30 DEEDHN Cc1c(CNCC2(CC#N)CC2)c(=O)n(-c2ccccc2)n1C ZINC000430022158 338093637 /nfs/dbraw/zinc/09/36/37/338093637.db2.gz ULDXOPNNHBGKCZ-UHFFFAOYSA-N 0 3 310.401 2.268 20 30 DEEDHN C[C@H](C#N)OCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496248675 340001494 /nfs/dbraw/zinc/00/14/94/340001494.db2.gz RYSYVFSGYQJPAR-KFWWJZLASA-N 0 3 323.437 2.104 20 30 DEEDHN CC(C#N)C(=O)N1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496889585 340015539 /nfs/dbraw/zinc/01/55/39/340015539.db2.gz DZJZSUUBBOZSTF-XHBSWPGZSA-N 0 3 309.410 2.155 20 30 DEEDHN CC(C#N)C(=O)NC[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496982298 340017491 /nfs/dbraw/zinc/01/74/91/340017491.db2.gz OOCXKWNFFSNVSN-AGIUHOORSA-N 0 3 309.410 2.346 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000516592279 340128176 /nfs/dbraw/zinc/12/81/76/340128176.db2.gz LZXDGMRNLGYNMN-WRQOLXDDSA-N 0 3 306.450 2.156 20 30 DEEDHN C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000512447583 340362229 /nfs/dbraw/zinc/36/22/29/340362229.db2.gz MOCJLGJGHLWSMO-XIRDDKMYSA-N 0 3 314.433 2.418 20 30 DEEDHN N#CC(C(=O)c1ccnn1C(F)F)c1nnc2n1CCCCC2 ZINC000564345920 341254246 /nfs/dbraw/zinc/25/42/46/341254246.db2.gz DTXAJGBEZXDJRF-VIFPVBQESA-N 0 3 320.303 2.086 20 30 DEEDHN C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)N1CCC[C@H](C)C1 ZINC000246646012 341354981 /nfs/dbraw/zinc/35/49/81/341354981.db2.gz CSPMXCHVELCURL-UONOGXRCSA-N 0 3 318.425 2.039 20 30 DEEDHN C[C@H](C#N)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000248431494 341377770 /nfs/dbraw/zinc/37/77/70/341377770.db2.gz CENLNDRQPJQRHV-CVEARBPZSA-N 0 3 314.433 2.452 20 30 DEEDHN N#CCc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1 ZINC000566407659 341556854 /nfs/dbraw/zinc/55/68/54/341556854.db2.gz UCPPJXOTPDBXHL-ZWKOTPCHSA-N 0 3 323.371 2.459 20 30 DEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@H](CC2CC2)C1=O)C(C)C ZINC000349233065 341966754 /nfs/dbraw/zinc/96/67/54/341966754.db2.gz PFGLQWRCCJJSNY-CVEARBPZSA-N 0 3 319.449 2.406 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(C)nc2C)C1 ZINC001099082153 782117722 /nfs/dbraw/zinc/11/77/22/782117722.db2.gz IDXWMIDNSJCEMJ-YJBOKZPZSA-N 0 3 314.433 2.254 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCOc1cccc(Cl)c1 ZINC001377291306 1160143559 /nfs/dbraw/zinc/14/35/59/1160143559.db2.gz FHWPCXNJEFLTHF-CYBMUJFWSA-N 0 3 323.824 2.317 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cnccn2)CCCC[C@@H]1C ZINC001378419878 1152322220 /nfs/dbraw/zinc/32/22/20/1152322220.db2.gz MDTWSCBYNQOCPS-BLLLJJGKSA-N 0 3 322.840 2.497 20 30 DEEDHN C#C[C@H](NC(=O)NC[C@H]1CCCCN1C)c1ccc(F)cc1 ZINC001357775767 1152337333 /nfs/dbraw/zinc/33/73/33/1152337333.db2.gz FMGCNTPJJSDNJC-CVEARBPZSA-N 0 3 303.381 2.284 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001357825362 1152342174 /nfs/dbraw/zinc/34/21/74/1152342174.db2.gz MZIXIWJMFILYDD-WMLDXEAASA-N 0 3 317.433 2.074 20 30 DEEDHN C=C(Cl)CN1CCC(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001378483050 1152346091 /nfs/dbraw/zinc/34/60/91/1152346091.db2.gz JSWMDNIGJAHAKA-HNNXBMFYSA-N 0 3 315.889 2.297 20 30 DEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)Cc1ncccc1F ZINC001329936027 1149020616 /nfs/dbraw/zinc/02/06/16/1149020616.db2.gz GYWALQHFJIFEGM-HNNXBMFYSA-N 0 3 317.408 2.147 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001330033077 1149038441 /nfs/dbraw/zinc/03/84/41/1149038441.db2.gz YWMBOYKVHJYHBB-PBHICJAKSA-N 0 3 306.450 2.042 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)COc2cc(C)ccc2C)C1 ZINC001330073877 1149045779 /nfs/dbraw/zinc/04/57/79/1149045779.db2.gz HNWWNYNNPOYMLS-MRXNPFEDSA-N 0 3 314.429 2.142 20 30 DEEDHN N#Cc1ccc(F)cc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC001413882228 1152418965 /nfs/dbraw/zinc/41/89/65/1152418965.db2.gz XURAOOXFRLZYQJ-INIZCTEOSA-N 0 3 303.381 2.388 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccn(CC)n2)CCCC1 ZINC001378715599 1152421951 /nfs/dbraw/zinc/42/19/51/1152421951.db2.gz FEPZHMVPHKVQJH-UHFFFAOYSA-N 0 3 310.829 2.288 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC001330244090 1149077428 /nfs/dbraw/zinc/07/74/28/1149077428.db2.gz RLPOADVHJSWLKP-MRXNPFEDSA-N 0 3 317.433 2.090 20 30 DEEDHN CCC[C@@H](C(=O)NC[C@@H]1[C@H]2CN(CC#CCOC)C[C@H]21)C(C)C ZINC001330339940 1149094852 /nfs/dbraw/zinc/09/48/52/1149094852.db2.gz MBZKUSZJUGZTBL-TVFCKZIOSA-N 0 3 320.477 2.003 20 30 DEEDHN C=CCCC(=O)N[C@@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001358784048 1152480780 /nfs/dbraw/zinc/48/07/80/1152480780.db2.gz RANKCHWSJZSUHF-SFHVURJKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000451602222 534609250 /nfs/dbraw/zinc/60/92/50/534609250.db2.gz WVYCYASXCTZQRO-RYRKJORJSA-N 0 3 302.418 2.433 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000451613376 534610554 /nfs/dbraw/zinc/61/05/54/534610554.db2.gz MZOYEYKOXQAILQ-DXEWXGHRSA-N 0 3 318.392 2.421 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000156690824 525011328 /nfs/dbraw/zinc/01/13/28/525011328.db2.gz PBFRNEWJYLCDOH-DYVFJYSZSA-N 0 3 308.385 2.137 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001358824435 1152497501 /nfs/dbraw/zinc/49/75/01/1152497501.db2.gz ZYXRLMGEFYYUID-GOSISDBHSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cc(C)on2)CC1 ZINC000362970636 526428009 /nfs/dbraw/zinc/42/80/09/526428009.db2.gz MKJPWHHYIYUHTF-INIZCTEOSA-N 0 3 318.421 2.480 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000248224593 526438416 /nfs/dbraw/zinc/43/84/16/526438416.db2.gz PBXKLDRDXYHHAU-RCCFBDPRSA-N 0 3 311.429 2.274 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000340375230 526527163 /nfs/dbraw/zinc/52/71/63/526527163.db2.gz UBSKDGSECUCQAO-PBHICJAKSA-N 0 3 310.438 2.123 20 30 DEEDHN C=CCNC(=O)NC(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000428864030 526585211 /nfs/dbraw/zinc/58/52/11/526585211.db2.gz AJMQAJATZIHCSF-AWEZNQCLSA-N 0 3 303.406 2.470 20 30 DEEDHN C#CCCOc1ccc(C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000294593003 526740494 /nfs/dbraw/zinc/74/04/94/526740494.db2.gz YSWZBXWHKMXHDJ-MRXNPFEDSA-N 0 3 300.402 2.303 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000294800160 526741678 /nfs/dbraw/zinc/74/16/78/526741678.db2.gz BUIKESMIPUGQTJ-HOCLYGCPSA-N 0 3 312.413 2.444 20 30 DEEDHN N#Cc1ccccc1OCCN1CCOC2(CCOCC2)CC1 ZINC000364240101 526747283 /nfs/dbraw/zinc/74/72/83/526747283.db2.gz KASKIQZPHHSKLZ-UHFFFAOYSA-N 0 3 316.401 2.209 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000338894299 526771097 /nfs/dbraw/zinc/77/10/97/526771097.db2.gz XTWZUASOHOVJFP-UHFFFAOYSA-N 0 3 306.381 2.223 20 30 DEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000340596628 526843177 /nfs/dbraw/zinc/84/31/77/526843177.db2.gz SOPYNNQHCOVZNX-CVEARBPZSA-N 0 3 320.458 2.369 20 30 DEEDHN CC(C)(CC#N)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418276127 526955054 /nfs/dbraw/zinc/95/50/54/526955054.db2.gz FMEWLFWAXVKGQE-LSDHHAIUSA-N 0 3 300.406 2.063 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000369122623 526976374 /nfs/dbraw/zinc/97/63/74/526976374.db2.gz SFEZKVMRLRWKKE-ZBFHGGJFSA-N 0 3 308.447 2.298 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000341434591 527040714 /nfs/dbraw/zinc/04/07/14/527040714.db2.gz KEEIQSHWZKRDJE-JKSUJKDBSA-N 0 3 322.497 2.151 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000295907514 527070811 /nfs/dbraw/zinc/07/08/11/527070811.db2.gz QXLMHSWVDLPHPF-IRXDYDNUSA-N 0 3 314.429 2.148 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000295831066 527081826 /nfs/dbraw/zinc/08/18/26/527081826.db2.gz WCQNCAZXOODJHO-QAPCUYQASA-N 0 3 314.429 2.052 20 30 DEEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000341478435 527141933 /nfs/dbraw/zinc/14/19/33/527141933.db2.gz LLOWXQHSGQIQCJ-ZJNRKIDTSA-N 0 3 315.417 2.432 20 30 DEEDHN C#CC[C@@H](NC[C@@H](O)COCC(F)(F)F)c1ccccc1 ZINC000292806871 527165528 /nfs/dbraw/zinc/16/55/28/527165528.db2.gz BYCIRBRRYFCGNN-ZIAGYGMSSA-N 0 3 301.308 2.280 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339622762 527263396 /nfs/dbraw/zinc/26/33/96/527263396.db2.gz QQICJGKWLQQXQJ-JZXOWHBKSA-N 0 3 318.461 2.179 20 30 DEEDHN C#Cc1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000368025096 527439193 /nfs/dbraw/zinc/43/91/93/527439193.db2.gz VGEPUMOBWVGHGW-QGZVFWFLSA-N 0 3 319.408 2.135 20 30 DEEDHN C=C[C@H](C)NC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000340795345 527555093 /nfs/dbraw/zinc/55/50/93/527555093.db2.gz CTHYMSRAOGBQRV-ZDUSSCGKSA-N 0 3 303.406 2.158 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnns1)C(C)C ZINC000192348341 527646693 /nfs/dbraw/zinc/64/66/93/527646693.db2.gz SAXBYEQQLATSIU-LBPRGKRZSA-N 0 3 309.439 2.358 20 30 DEEDHN CCCCCCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000195210906 528135655 /nfs/dbraw/zinc/13/56/55/528135655.db2.gz YWQVGEZESPCVQQ-OAHLLOKOSA-N 0 3 302.484 2.457 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc(C#N)c[nH]1 ZINC000458215634 535869716 /nfs/dbraw/zinc/86/97/16/535869716.db2.gz FDXFEGWWVNKMBN-UHFFFAOYSA-N 0 3 302.403 2.152 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1nc(C)c[nH]1 ZINC001369742828 1149132693 /nfs/dbraw/zinc/13/26/93/1149132693.db2.gz FLUPWHMVTGXTHS-OLZOCXBDSA-N 0 3 310.829 2.443 20 30 DEEDHN Cn1ccc([C@H]2CCCN(C[C@H](O)c3cccc(C#N)c3)C2)n1 ZINC001414042219 1152546479 /nfs/dbraw/zinc/54/64/79/1152546479.db2.gz KJQFPIYXIYCUJS-WMZOPIPTSA-N 0 3 310.401 2.205 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001327523367 1148575306 /nfs/dbraw/zinc/57/53/06/1148575306.db2.gz AZVRHUOUGXRHIH-LYLYKKCESA-N 0 3 324.852 2.093 20 30 DEEDHN C#CCCCCC(=O)NC1(CNCC(=C)Cl)CCOCC1 ZINC001327628896 1148602638 /nfs/dbraw/zinc/60/26/38/1148602638.db2.gz WESBTNZNBQQVIH-UHFFFAOYSA-N 0 3 312.841 2.188 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1c(C)ncn1C ZINC001369754605 1149145181 /nfs/dbraw/zinc/14/51/81/1149145181.db2.gz QPWLJIBSWSJZBU-TZMCWYRMSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001368743131 1148632505 /nfs/dbraw/zinc/63/25/05/1148632505.db2.gz MCAKVKUFKKAPJA-QMMMGPOBSA-N 0 3 324.734 2.279 20 30 DEEDHN CCc1oncc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001379557757 1152642092 /nfs/dbraw/zinc/64/20/92/1152642092.db2.gz XJFNBSXNTRYXTJ-JTQLQIEISA-N 0 3 318.402 2.078 20 30 DEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835340860 649908427 /nfs/dbraw/zinc/90/84/27/649908427.db2.gz OZXNTKKATQBCBA-GJZGRUSLSA-N 0 3 302.374 2.135 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CCOCC1 ZINC000735426233 598795105 /nfs/dbraw/zinc/79/51/05/598795105.db2.gz MPBMQBZXZJMTLZ-UHFFFAOYSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CCOCC1 ZINC000735426233 598795106 /nfs/dbraw/zinc/79/51/06/598795106.db2.gz MPBMQBZXZJMTLZ-UHFFFAOYSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCOCC1 ZINC000735426233 598795107 /nfs/dbraw/zinc/79/51/07/598795107.db2.gz MPBMQBZXZJMTLZ-UHFFFAOYSA-N 0 3 313.405 2.281 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCOCC1 ZINC000735426233 598795108 /nfs/dbraw/zinc/79/51/08/598795108.db2.gz MPBMQBZXZJMTLZ-UHFFFAOYSA-N 0 3 313.405 2.281 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(CC)CCOCC2)C1 ZINC001368824477 1148691339 /nfs/dbraw/zinc/69/13/39/1148691339.db2.gz ZQHFFLWYBDRHOH-UHFFFAOYSA-N 0 3 314.857 2.430 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1(O)CCC1 ZINC001025232210 625291532 /nfs/dbraw/zinc/29/15/32/625291532.db2.gz LFPWDRFJJJYPCZ-IRXDYDNUSA-N 0 3 318.461 2.160 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH]nc1CC ZINC001025243201 625302989 /nfs/dbraw/zinc/30/29/89/625302989.db2.gz ARFFGWXQJAECRJ-IAGOWNOFSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001023510929 625303548 /nfs/dbraw/zinc/30/35/48/625303548.db2.gz UCPKJAAQTFSFJB-ZDUSSCGKSA-N 0 3 322.840 2.192 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001023518962 625306781 /nfs/dbraw/zinc/30/67/81/625306781.db2.gz YTYSRZXEHMGEDX-JTQLQIEISA-N 0 3 314.216 2.397 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH]nc1C ZINC001025260316 625313069 /nfs/dbraw/zinc/31/30/69/625313069.db2.gz WFPINLOOZSYNCC-IAGOWNOFSA-N 0 3 314.433 2.201 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1[nH]cnc1C ZINC001025306346 625333493 /nfs/dbraw/zinc/33/34/93/625333493.db2.gz DQPHOGBZWBLBAU-HZPDHXFCSA-N 0 3 314.433 2.201 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001023626513 625361535 /nfs/dbraw/zinc/36/15/35/625361535.db2.gz AWPDFQSPZFRCEB-CYBMUJFWSA-N 0 3 301.390 2.017 20 30 DEEDHN C=CCN1CCC[C@@H](CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC001023636957 625366818 /nfs/dbraw/zinc/36/68/18/625366818.db2.gz YOOCNGNNYDFZPN-ZDUSSCGKSA-N 0 3 303.406 2.488 20 30 DEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCN(CC#CC)C1 ZINC001023640908 625369625 /nfs/dbraw/zinc/36/96/25/625369625.db2.gz OVWAFMWJKMJEDE-BZSNNMDCSA-N 0 3 318.461 2.209 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2sccc2OC)C1 ZINC001023710091 625396164 /nfs/dbraw/zinc/39/61/64/625396164.db2.gz GOQZOAUBZHQFNA-CYBMUJFWSA-N 0 3 306.431 2.222 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cnn(C(C)C)c2C)C1 ZINC001023693580 625390663 /nfs/dbraw/zinc/39/06/63/625390663.db2.gz XZKVVSRDHSMJAT-MRXNPFEDSA-N 0 3 316.449 2.238 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001023695155 625391538 /nfs/dbraw/zinc/39/15/38/625391538.db2.gz WVGOFJGOWXGQJM-CQSZACIVSA-N 0 3 316.449 2.172 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(Cl)cnn2CC)C1 ZINC001025427749 625425802 /nfs/dbraw/zinc/42/58/02/625425802.db2.gz HELMHAUCERYWHO-OLZOCXBDSA-N 0 3 322.840 2.020 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccnn2CCC)C1 ZINC001025430762 625429974 /nfs/dbraw/zinc/42/99/74/625429974.db2.gz HYAMHUXRPNSRHP-JKSUJKDBSA-N 0 3 316.449 2.147 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(CC)n2)C1 ZINC001025442236 625437719 /nfs/dbraw/zinc/43/77/19/625437719.db2.gz KDIBPLCXVJNYRM-HOTGVXAUSA-N 0 3 313.445 2.498 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001025445826 625442276 /nfs/dbraw/zinc/44/22/76/625442276.db2.gz ASWFBDBIZJYWKI-GOEBONIOSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC001025445670 625442485 /nfs/dbraw/zinc/44/24/85/625442485.db2.gz RLGOCBBEAUEBPZ-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000092643756 625455458 /nfs/dbraw/zinc/45/54/58/625455458.db2.gz PACIGCKHJZLYQG-HIFRSBDPSA-N 0 3 302.374 2.362 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccn3nccc23)C1 ZINC001025469756 625464190 /nfs/dbraw/zinc/46/41/90/625464190.db2.gz QYIBTZGIXQJBFV-CVEARBPZSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001025474496 625466948 /nfs/dbraw/zinc/46/69/48/625466948.db2.gz LGBQANLUYZQINK-CVEARBPZSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nc3c(s2)CCC3)C1 ZINC001025487759 625479981 /nfs/dbraw/zinc/47/99/81/625479981.db2.gz GBELMEKPZSUGAO-OLZOCXBDSA-N 0 3 317.458 2.095 20 30 DEEDHN Cc1nc(C)c(CNC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001023981962 625511284 /nfs/dbraw/zinc/51/12/84/625511284.db2.gz YVIMZSYWGANETJ-INIZCTEOSA-N 0 3 315.417 2.033 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cnn([C@@H](C)CC)c1C ZINC000931073395 625522186 /nfs/dbraw/zinc/52/21/86/625522186.db2.gz QQPVCOLIRUKCLO-ZDUSSCGKSA-N 0 3 305.426 2.239 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnoc2CC)C1 ZINC001025548722 625527988 /nfs/dbraw/zinc/52/79/88/625527988.db2.gz JXTPYIGEVUVVOT-KGLIPLIRSA-N 0 3 303.406 2.091 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC001025549812 625539290 /nfs/dbraw/zinc/53/92/90/625539290.db2.gz VXMNLJLHFSHUFV-CVEARBPZSA-N 0 3 309.413 2.403 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000972778291 625550569 /nfs/dbraw/zinc/55/05/69/625550569.db2.gz SWBOXGWJHXELHN-HOTGVXAUSA-N 0 3 306.450 2.445 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC000969134031 622584583 /nfs/dbraw/zinc/58/45/83/622584583.db2.gz VUCXZHAOPPPXGA-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001020455600 622683419 /nfs/dbraw/zinc/68/34/19/622683419.db2.gz XTLFVGVMYVLGNL-HAQNSBGRSA-N 0 3 304.781 2.166 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)OCC2CC2)c1 ZINC000120249248 622684621 /nfs/dbraw/zinc/68/46/21/622684621.db2.gz AOFABCCAVQDKHS-IAQYHMDHSA-N 0 3 316.357 2.158 20 30 DEEDHN Cc1ccccc1CN1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463282 622784940 /nfs/dbraw/zinc/78/49/40/622784940.db2.gz MQOOPCDYJJJSBK-AWEZNQCLSA-N 0 3 322.412 2.445 20 30 DEEDHN C=C(Cl)CN1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969659795 622871706 /nfs/dbraw/zinc/87/17/06/622871706.db2.gz KLCIWJPUQNSXHO-ZFWWWQNUSA-N 0 3 313.873 2.048 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000969673653 622878219 /nfs/dbraw/zinc/87/82/19/622878219.db2.gz KHWVFLIPIZZDGM-AWEZNQCLSA-N 0 3 312.417 2.269 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c3ccccc3nn2C)C1 ZINC001025585020 625595774 /nfs/dbraw/zinc/59/57/74/625595774.db2.gz AEYQEIBHFUFFMY-GJZGRUSLSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000969705922 622890899 /nfs/dbraw/zinc/89/08/99/622890899.db2.gz DENGCANSYSADFO-IJLUTSLNSA-N 0 3 308.834 2.329 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC000969716597 622893853 /nfs/dbraw/zinc/89/38/53/622893853.db2.gz IXCXPTVWIXETJX-KGLIPLIRSA-N 0 3 316.449 2.407 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001026636296 625604047 /nfs/dbraw/zinc/60/40/47/625604047.db2.gz MRZUDXMUXZMCKE-CYBMUJFWSA-N 0 3 315.392 2.436 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001025592000 625605222 /nfs/dbraw/zinc/60/52/22/625605222.db2.gz JRTYWEMLANUJAY-KBPBESRZSA-N 0 3 317.433 2.436 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001025592589 625605980 /nfs/dbraw/zinc/60/59/80/625605980.db2.gz QAZOVVZIJRXZOI-GOEBONIOSA-N 0 3 313.445 2.357 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3(CF)CC3)C2)s1 ZINC000969896568 622983048 /nfs/dbraw/zinc/98/30/48/622983048.db2.gz MHDRFRLTCHMGDQ-LLVKDONJSA-N 0 3 307.394 2.060 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccnn2-c2ccccc2)C1 ZINC000969965445 623023993 /nfs/dbraw/zinc/02/39/93/623023993.db2.gz KNVYXVJROZIOHB-HNNXBMFYSA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001025594445 625614501 /nfs/dbraw/zinc/61/45/01/625614501.db2.gz ZCNDQOMZKZZQGE-UKRRQHHQSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001025594445 625614506 /nfs/dbraw/zinc/61/45/06/625614506.db2.gz ZCNDQOMZKZZQGE-UKRRQHHQSA-N 0 3 316.449 2.305 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000970092909 623112067 /nfs/dbraw/zinc/11/20/67/623112067.db2.gz FSEWCEHELXRYIR-CQSZACIVSA-N 0 3 322.412 2.150 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000970094951 623113693 /nfs/dbraw/zinc/11/36/93/623113693.db2.gz YCYQFOVWPLLPSC-SUMWQHHRSA-N 0 3 300.402 2.003 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC000970118762 623143013 /nfs/dbraw/zinc/14/30/13/623143013.db2.gz HXIQLJUYRWMYNU-SNVBAGLBSA-N 0 3 300.280 2.044 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ncccc2Cl)C1 ZINC001025603034 625627912 /nfs/dbraw/zinc/62/79/12/625627912.db2.gz PHKDZVOTOIWHBC-STQMWFEESA-N 0 3 305.809 2.199 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(OC)cc2)C1 ZINC001025606841 625630405 /nfs/dbraw/zinc/63/04/05/625630405.db2.gz GHBNUGVFOCYJPC-ZBFHGGJFSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001021105966 623348966 /nfs/dbraw/zinc/34/89/66/623348966.db2.gz DOWFSIOCWQRNBC-JOCQHMNTSA-N 0 3 318.808 2.095 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3ncccc3s2)C1 ZINC000970263395 623367271 /nfs/dbraw/zinc/36/72/71/623367271.db2.gz FHCVJKAVAUXXFJ-GFCCVEGCSA-N 0 3 313.426 2.370 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3ccccc3n2C)C1 ZINC000970347357 623410398 /nfs/dbraw/zinc/41/03/98/623410398.db2.gz WKZHJZCYIROXML-AWEZNQCLSA-N 0 3 309.413 2.252 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC000949331646 623441076 /nfs/dbraw/zinc/44/10/76/623441076.db2.gz AWMQHFZSQSUYOK-HNNXBMFYSA-N 0 3 306.450 2.302 20 30 DEEDHN N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)c[nH]1 ZINC001021234302 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313.873 2.146 20 30 DEEDHN C[C@H](NC(=O)Nc1cc(C#N)ccc1F)C1=CCN(C)CC1 ZINC000888364066 633840669 /nfs/dbraw/zinc/84/06/69/633840669.db2.gz YIWUPJSONKVUON-NSHDSACASA-N 0 3 302.353 2.469 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(C)sn2)CC1 ZINC000997562737 633875527 /nfs/dbraw/zinc/87/55/27/633875527.db2.gz UGTGWZJKSMXKPI-ZDUSSCGKSA-N 0 3 305.447 2.305 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCOCC2)CC1 ZINC000997566144 633876680 /nfs/dbraw/zinc/87/66/80/633876680.db2.gz CBAIRHGMBDOFQT-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnn(C3CCC3)c2)CC1 ZINC000997583177 633884139 /nfs/dbraw/zinc/88/41/39/633884139.db2.gz FFFFHJCDICPJLN-AWEZNQCLSA-N 0 3 314.433 2.072 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccc(CC)n2)CC1 ZINC000997620020 633901435 /nfs/dbraw/zinc/90/14/35/633901435.db2.gz GOOLBKNDMPKEQE-HNNXBMFYSA-N 0 3 313.445 2.498 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c(c2)COC3)C(C)(C)C1 ZINC000977522323 634024766 /nfs/dbraw/zinc/02/47/66/634024766.db2.gz 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CC(F)(F)C(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998369562 634238038 /nfs/dbraw/zinc/23/80/38/634238038.db2.gz WIHVHWWIPPZHDT-JTQLQIEISA-N 0 3 313.373 2.356 20 30 DEEDHN C#CCN(C(=O)NCCSCC(C)C)C1CCN(C)CC1 ZINC000921658545 634276068 /nfs/dbraw/zinc/27/60/68/634276068.db2.gz YSOYQHCXBRPNPU-UHFFFAOYSA-N 0 3 311.495 2.115 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C4CC4)[nH]c3C3CC3)[C@@H]2C1 ZINC000978394763 634298983 /nfs/dbraw/zinc/29/89/83/634298983.db2.gz ZXZGWRGADAZCKK-OSYLJGHBSA-N 0 3 323.440 2.310 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)nc3C3CC3)[C@@H]2C1 ZINC000978533482 634345600 /nfs/dbraw/zinc/34/56/00/634345600.db2.gz MWAWHWDORFZZHA-NNZMDNLPSA-N 0 3 323.440 2.198 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC000980287030 634930396 /nfs/dbraw/zinc/93/03/96/634930396.db2.gz UKZXAWTWKKLAJZ-RDJZCZTQSA-N 0 3 300.402 2.367 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2c(C)cccc2C)C1 ZINC000980339683 634960707 /nfs/dbraw/zinc/96/07/07/634960707.db2.gz 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ZINC001000333340 635145751 /nfs/dbraw/zinc/14/57/51/635145751.db2.gz NMUNDUFTLRFGRH-UHFFFAOYSA-N 0 3 317.458 2.368 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001028013047 635248404 /nfs/dbraw/zinc/24/84/04/635248404.db2.gz WILMGOYPYHGIHS-KRWDZBQOSA-N 0 3 311.429 2.178 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001028022073 635267971 /nfs/dbraw/zinc/26/79/71/635267971.db2.gz GVXHFCJIVFDREF-KRWDZBQOSA-N 0 3 300.402 2.140 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2nncc3ccccc32)CC1 ZINC001000938413 635358752 /nfs/dbraw/zinc/35/87/52/635358752.db2.gz GHCYCVOCROIKJR-UHFFFAOYSA-N 0 3 308.385 2.178 20 30 DEEDHN C=CCN1CC=C(CNC(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC001000939383 635360405 /nfs/dbraw/zinc/36/04/05/635360405.db2.gz NCZARZIEWWEEJP-WMZOPIPTSA-N 0 3 304.434 2.270 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CCC[C@H](NCCF)C2)cc1 ZINC001001019684 635388616 /nfs/dbraw/zinc/38/86/16/635388616.db2.gz MUXHRMNCRYPCME-INIZCTEOSA-N 0 3 320.408 2.344 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@@H](NCc3nccn3C)C2)C1 ZINC000981320636 635433644 /nfs/dbraw/zinc/43/36/44/635433644.db2.gz WTAQXGFSBNYIPS-CABCVRRESA-N 0 3 316.449 2.293 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCC1=CCN(CC=C)CC1 ZINC001001359807 635473564 /nfs/dbraw/zinc/47/35/64/635473564.db2.gz LMEPGQORHHPNBI-UHFFFAOYSA-N 0 3 313.401 2.194 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000981446156 635485906 /nfs/dbraw/zinc/48/59/06/635485906.db2.gz URRJCKSZFSOFBF-JKSUJKDBSA-N 0 3 302.443 2.409 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(CC)cn2)C[C@H]1C ZINC000947731327 635486709 /nfs/dbraw/zinc/48/67/09/635486709.db2.gz LVAALNFRFHYWMQ-CRAIPNDOSA-N 0 3 313.445 2.179 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc3oc(C)nc3c2)CC1 ZINC001001517943 635520552 /nfs/dbraw/zinc/52/05/52/635520552.db2.gz CJNNUUJOFGRNKW-UHFFFAOYSA-N 0 3 311.385 2.211 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(C)c(F)cc2F)CC1 ZINC001001518381 635520589 /nfs/dbraw/zinc/52/05/89/635520589.db2.gz OHIVGQWCHISWPC-UHFFFAOYSA-N 0 3 306.356 2.348 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC001001539845 635525089 /nfs/dbraw/zinc/52/50/89/635525089.db2.gz VNOOULYOUNJLGX-HNNXBMFYSA-N 0 3 313.873 2.051 20 30 DEEDHN N#Cc1ccc(CN2CCCC3(CN(C(=O)C(F)F)C3)C2)cc1 ZINC000981570873 635536022 /nfs/dbraw/zinc/53/60/22/635536022.db2.gz LGLKMVIISTUOMZ-UHFFFAOYSA-N 0 3 319.355 2.248 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnc3ccsc3c2)CC1 ZINC001001720788 635545722 /nfs/dbraw/zinc/54/57/22/635545722.db2.gz FLNAUKQAEWVWBB-UHFFFAOYSA-N 0 3 313.426 2.371 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc3ncccc3c2)CC1 ZINC001001794533 635553585 /nfs/dbraw/zinc/55/35/85/635553585.db2.gz GRGVHEOYGNFOTP-UHFFFAOYSA-N 0 3 307.397 2.310 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc(OC)c(C)c2)CC1 ZINC001001937340 635583306 /nfs/dbraw/zinc/58/33/06/635583306.db2.gz JZCFAJAEIYMGKH-UHFFFAOYSA-N 0 3 314.429 2.469 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(Cl)ccc2OC)CC1 ZINC001002103329 635619035 /nfs/dbraw/zinc/61/90/35/635619035.db2.gz YKLCWASDTWGXQD-UHFFFAOYSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2COc3ccccc32)CC1 ZINC001002178716 635637437 /nfs/dbraw/zinc/63/74/37/635637437.db2.gz XHTNBKRSQAKGOY-QGZVFWFLSA-N 0 3 312.413 2.014 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccc(COC)o3)C2)C1 ZINC000981881009 635708722 /nfs/dbraw/zinc/70/87/22/635708722.db2.gz LPWDZRFEPAQDQV-UHFFFAOYSA-N 0 3 304.390 2.150 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@H]3CC[C@H](C4CC4)O3)C2)C1 ZINC000981908598 635724799 /nfs/dbraw/zinc/72/47/99/635724799.db2.gz LELFZBJIAZUZAC-IAGOWNOFSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C3CCC(OC)CC3)C2)C1 ZINC000981972157 635780436 /nfs/dbraw/zinc/78/04/36/635780436.db2.gz PGMLDIISNVTKEA-UHFFFAOYSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3coc(CC4CC4)n3)C2)C1 ZINC000982098666 635865856 /nfs/dbraw/zinc/86/58/56/635865856.db2.gz SMHLDXYEQKHEKK-UHFFFAOYSA-N 0 3 315.417 2.351 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)COc3ccc(F)cc3)C2)C1 ZINC000982146394 635887970 /nfs/dbraw/zinc/88/79/70/635887970.db2.gz MRDJLHREFKETBC-UHFFFAOYSA-N 0 3 318.392 2.315 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)C[C@H]3CCCO3)C2)C1 ZINC000982166769 635894207 /nfs/dbraw/zinc/89/42/07/635894207.db2.gz NICOPDYWBADCAZ-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)/C=C\c3ccc[nH]3)C[C@]2(C)C1 ZINC000982268834 635932655 /nfs/dbraw/zinc/93/26/55/635932655.db2.gz DADUPMZBJUFUDL-HCRJECLASA-N 0 3 311.429 2.222 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3ccc(F)cc3O2)CC1 ZINC001003307290 635935470 /nfs/dbraw/zinc/93/54/70/635935470.db2.gz XMRRYEUNPBBXFS-MRXNPFEDSA-N 0 3 318.392 2.286 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)C(C)(C)C1CC1)CCO2 ZINC000949164807 635943273 /nfs/dbraw/zinc/94/32/73/635943273.db2.gz UFFDJEOVJMSHTD-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3onc(C)c3C)C[C@]2(C)C1 ZINC000982303507 635958425 /nfs/dbraw/zinc/95/84/25/635958425.db2.gz GNMLDPCUXNCXGE-CALCHBBNSA-N 0 3 303.406 2.261 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001028252298 635960897 /nfs/dbraw/zinc/96/08/97/635960897.db2.gz FQKMQVUVDSYZQH-GOEBONIOSA-N 0 3 316.449 2.380 20 30 DEEDHN C=CCN1CCC(NC(=O)c2occc2-c2cnn(C)c2)CC1 ZINC001003491506 635979309 /nfs/dbraw/zinc/97/93/09/635979309.db2.gz SQFJRGJTTZUJIE-UHFFFAOYSA-N 0 3 314.389 2.060 20 30 DEEDHN COC(=O)[C@H](C)Oc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000922199083 635989442 /nfs/dbraw/zinc/98/94/42/635989442.db2.gz XGOAJVKPXWMAEI-KCQAQPDRSA-N 0 3 302.374 2.409 20 30 DEEDHN C#CCN(C(=O)NCC1C(C)(C)C1(C)C)C1CCN(C)CC1 ZINC000922298871 636069057 /nfs/dbraw/zinc/06/90/57/636069057.db2.gz XYHDIQGAINXDSL-UHFFFAOYSA-N 0 3 305.466 2.408 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001028289742 636080740 /nfs/dbraw/zinc/08/07/40/636080740.db2.gz ITNMXJTWSOOKGQ-LSDHHAIUSA-N 0 3 316.449 2.236 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cocc3C)C[C@]2(C)C1 ZINC000982451366 636086494 /nfs/dbraw/zinc/08/64/94/636086494.db2.gz JWBQLEDEFQFGOZ-HDICACEKSA-N 0 3 300.402 2.395 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NCCC#N)CCO2 ZINC000894084179 636105035 /nfs/dbraw/zinc/10/50/35/636105035.db2.gz RORJXSFOSNLYMC-AWEZNQCLSA-N 0 3 323.437 2.438 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001028319649 636128731 /nfs/dbraw/zinc/12/87/31/636128731.db2.gz LMGCUJXIALTTIS-OAHLLOKOSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001028322157 636129585 /nfs/dbraw/zinc/12/95/85/636129585.db2.gz YGRBFJWGSDQIHL-AWEZNQCLSA-N 0 3 307.825 2.379 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001028337163 636137411 /nfs/dbraw/zinc/13/74/11/636137411.db2.gz QDOAMFZJLLCKQV-OAHLLOKOSA-N 0 3 317.408 2.109 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001028355374 636145268 /nfs/dbraw/zinc/14/52/68/636145268.db2.gz KQDVAOVLPZWDNM-OAHLLOKOSA-N 0 3 315.417 2.086 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)c3cccnc3)C2)cc1 ZINC001028362427 636150950 /nfs/dbraw/zinc/15/09/50/636150950.db2.gz OFIWQXDRNFMMGG-KRWDZBQOSA-N 0 3 320.396 2.205 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@H](CNC(=O)C3CC=CC3)C2)cc1 ZINC001028455088 636213817 /nfs/dbraw/zinc/21/38/17/636213817.db2.gz PZVPZWUPHPRWNS-KRWDZBQOSA-N 0 3 309.413 2.463 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H]2CCN(CC#CC)[C@@H](C)C2)cc1 ZINC000947778455 636214214 /nfs/dbraw/zinc/21/42/14/636214214.db2.gz CXKLUWXXZCALLA-WMZOPIPTSA-N 0 3 324.424 2.305 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)[nH]1 ZINC001028487176 636255271 /nfs/dbraw/zinc/25/52/71/636255271.db2.gz RUJKAZVDTRHXKW-GFCCVEGCSA-N 0 3 314.414 2.200 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001028579527 636371979 /nfs/dbraw/zinc/37/19/79/636371979.db2.gz GOMCAVAQQVBFMG-HNNXBMFYSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000947956489 636388208 /nfs/dbraw/zinc/38/82/08/636388208.db2.gz CHKRSDVCBPLSKM-GOEBONIOSA-N 0 3 302.393 2.279 20 30 DEEDHN C=C(CC)CNC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000922780095 636393532 /nfs/dbraw/zinc/39/35/32/636393532.db2.gz GIEZZCHZXVONBN-HNNXBMFYSA-N 0 3 309.454 2.237 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001028593479 636457360 /nfs/dbraw/zinc/45/73/60/636457360.db2.gz ZQMZKFIBPRQDMC-OAHLLOKOSA-N 0 3 316.449 2.319 20 30 DEEDHN CCCSCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000125576115 636457933 /nfs/dbraw/zinc/45/79/33/636457933.db2.gz FUNCBGDEMFTJBC-LLVKDONJSA-N 0 3 306.387 2.486 20 30 DEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cccn3C(C)C)C[C@]2(C)C1 ZINC000982808941 636475404 /nfs/dbraw/zinc/47/54/04/636475404.db2.gz VDMCRLJSOPYEIZ-KDURUIRLSA-N 0 3 313.445 2.486 20 30 DEEDHN N#Cc1ccc(F)c(CNC[C@H]2C[C@H](NC(=O)C3CCC3)C2)c1 ZINC000982983421 636564771 /nfs/dbraw/zinc/56/47/71/636564771.db2.gz RMZYLUUOJVUWIF-SAZUREKKSA-N 0 3 315.392 2.482 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cn3cc(C)nc3s2)CC1 ZINC001005503960 636753751 /nfs/dbraw/zinc/75/37/51/636753751.db2.gz NOEOYPOFEJVCOF-UHFFFAOYSA-N 0 3 318.446 2.427 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cnc3n2CCCCC3)CC1 ZINC001005585954 636789290 /nfs/dbraw/zinc/78/92/90/636789290.db2.gz SUOFJIPURPQZTO-UHFFFAOYSA-N 0 3 316.449 2.332 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001028858986 636796286 /nfs/dbraw/zinc/79/62/86/636796286.db2.gz PKXKLCCUBLTTSS-BHYGNILZSA-N 0 3 314.404 2.391 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ncoc2C(F)(F)F)CC1 ZINC001005615147 636799391 /nfs/dbraw/zinc/79/93/91/636799391.db2.gz ZHILYXAZGQMZCU-UHFFFAOYSA-N 0 3 317.311 2.416 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001028871835 636802362 /nfs/dbraw/zinc/80/23/62/636802362.db2.gz WSQUKFXXNFGEOM-CYBMUJFWSA-N 0 3 311.360 2.059 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001028872470 636804455 /nfs/dbraw/zinc/80/44/55/636804455.db2.gz GZZNAPHSKBZMQV-CABCVRRESA-N 0 3 312.413 2.085 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001005704863 636825621 /nfs/dbraw/zinc/82/56/21/636825621.db2.gz OKKLBMIXPHJFOY-DLBZAZTESA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001005721547 636830456 /nfs/dbraw/zinc/83/04/56/636830456.db2.gz IBPSXLIJLCZBSF-UHFFFAOYSA-N 0 3 303.406 2.072 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC001005795196 636839542 /nfs/dbraw/zinc/83/95/42/636839542.db2.gz LYNWFLMMJHSDJW-UHFFFAOYSA-N 0 3 303.406 2.126 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)nc2OC)C[C@H]1C ZINC000947788803 636944462 /nfs/dbraw/zinc/94/44/62/636944462.db2.gz LJWPLDQWRVBERK-HUUCEWRRSA-N 0 3 315.417 2.005 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC000983439997 636950819 /nfs/dbraw/zinc/95/08/19/636950819.db2.gz WPPQITDTVNXYGU-CZIWCDLHSA-N 0 3 322.412 2.493 20 30 DEEDHN Cn1ccc(C(=O)N[C@H]2C[C@H](CNCc3ccccc3C#N)C2)c1 ZINC000983465258 636960339 /nfs/dbraw/zinc/96/03/39/636960339.db2.gz IKFRLTBVYBBQHG-PPUGGXLSSA-N 0 3 322.412 2.195 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001029022483 636969298 /nfs/dbraw/zinc/96/92/98/636969298.db2.gz MOTFYVJLXRIAKV-ZDUSSCGKSA-N 0 3 313.376 2.382 20 30 DEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cn(CC)nc2C)CC1 ZINC001006058506 637134113 /nfs/dbraw/zinc/13/41/13/637134113.db2.gz AARMFOZZVQWLNP-UHFFFAOYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC000923546738 637240266 /nfs/dbraw/zinc/24/02/66/637240266.db2.gz XODIOUUSZKDKOD-ZACQAIPSSA-N 0 3 316.445 2.296 20 30 DEEDHN CCCN(CC(=O)NCCC#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000740887905 637914148 /nfs/dbraw/zinc/91/41/48/637914148.db2.gz HRZHBNYLTAZPJS-CVEARBPZSA-N 0 3 321.465 2.466 20 30 DEEDHN C#CCC1(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CCCCC1 ZINC000788160890 638005383 /nfs/dbraw/zinc/00/53/83/638005383.db2.gz MGYRPGMCGPRACH-QGZVFWFLSA-N 0 3 319.493 2.102 20 30 DEEDHN N#Cc1cnc(Cl)c(CNC[C@@H](CO)Cc2ccoc2)c1 ZINC000895586629 638097701 /nfs/dbraw/zinc/09/77/01/638097701.db2.gz YGJUDKUZXAYQPQ-ZDUSSCGKSA-N 0 3 305.765 2.140 20 30 DEEDHN C#CCCOc1ccc(CNCCCS(=O)(=O)CC)cc1 ZINC000840973549 650397904 /nfs/dbraw/zinc/39/79/04/650397904.db2.gz PFCZACBPIUGLBD-UHFFFAOYSA-N 0 3 309.431 2.003 20 30 DEEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000896095995 638358686 /nfs/dbraw/zinc/35/86/86/638358686.db2.gz SLKSHKLZYXVLTQ-JKSUJKDBSA-N 0 3 323.481 2.219 20 30 DEEDHN C[C@]1([C@H]2CCCN(Cc3cc(C#N)cs3)C2)COC(=O)N1 ZINC000896393488 638499264 /nfs/dbraw/zinc/49/92/64/638499264.db2.gz AJFDRUPWRBYJLN-SWLSCSKDSA-N 0 3 305.403 2.330 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)nc2N(C)C)CC1 ZINC000750391937 638739116 /nfs/dbraw/zinc/73/91/16/638739116.db2.gz NMTVVCGVJPEMGX-UHFFFAOYSA-N 0 3 317.437 2.228 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029511737 639013679 /nfs/dbraw/zinc/01/36/79/639013679.db2.gz ADRGZODSRIDGPE-FZKCQIBNSA-N 0 3 310.413 2.002 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N)c(OC)c2)CC1 ZINC000841265707 650465221 /nfs/dbraw/zinc/46/52/21/650465221.db2.gz MQTLMOWGYWSGOV-UHFFFAOYSA-N 0 3 304.394 2.049 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(N(C)Cc2ccc(Cl)nc2)CC1 ZINC000985339316 639292937 /nfs/dbraw/zinc/29/29/37/639292937.db2.gz RRKTUHJABKEYNV-GFCCVEGCSA-N 0 3 320.824 2.317 20 30 DEEDHN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(OCC#N)cc1 ZINC000753732191 639335726 /nfs/dbraw/zinc/33/57/26/639335726.db2.gz PVLJRVBVDRTIIW-XJKSGUPXSA-N 0 3 322.430 2.207 20 30 DEEDHN CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc(F)cc(F)c1[O-] ZINC000753934345 639360542 /nfs/dbraw/zinc/36/05/42/639360542.db2.gz HJUULGNIPJZBBM-CHWSQXEVSA-N 0 3 308.332 2.254 20 30 DEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(F)cc(F)c1O ZINC000753934345 639360548 /nfs/dbraw/zinc/36/05/48/639360548.db2.gz HJUULGNIPJZBBM-CHWSQXEVSA-N 0 3 308.332 2.254 20 30 DEEDHN Cc1ccc([C@H](C)NCC(=O)N(CCC#N)CCC#N)s1 ZINC000754670326 639458657 /nfs/dbraw/zinc/45/86/57/639458657.db2.gz MNVZPLLRHRNDMM-ZDUSSCGKSA-N 0 3 304.419 2.363 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2cn(C)nc2C)C1 ZINC001029800972 639489600 /nfs/dbraw/zinc/48/96/00/639489600.db2.gz DFHHBQRYEZLJAP-HNNXBMFYSA-N 0 3 318.465 2.221 20 30 DEEDHN CCCC(=O)N1CC[C@@H](NCc2cc(C#N)ccc2OC)[C@@H]1C ZINC000985858191 639666716 /nfs/dbraw/zinc/66/67/16/639666716.db2.gz NRPFJMMBGUDQOD-XJKSGUPXSA-N 0 3 315.417 2.446 20 30 DEEDHN C#CC[C@H](NCc1ccc(OCC(N)=O)cc1)c1ccccc1 ZINC000756996084 639726179 /nfs/dbraw/zinc/72/61/79/639726179.db2.gz NXGXLEKQMQWFPM-SFHVURJKSA-N 0 3 308.381 2.405 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CC1CC1 ZINC000987714106 640266368 /nfs/dbraw/zinc/26/63/68/640266368.db2.gz MYJITUGTCYMQBS-AAEUAGOBSA-N 0 3 303.431 2.499 20 30 DEEDHN CSCC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000987997905 640331471 /nfs/dbraw/zinc/33/14/71/640331471.db2.gz VSXACFZPECULLT-FZMZJTMJSA-N 0 3 321.421 2.139 20 30 DEEDHN C=CCSc1ccccc1NC(=O)CN[C@H](CO)C1CC1 ZINC000763066300 640499249 /nfs/dbraw/zinc/49/92/49/640499249.db2.gz JKLNBJUUAKATKS-CQSZACIVSA-N 0 3 306.431 2.264 20 30 DEEDHN COc1cccc(CNC[C@@H](O)c2ccc(C#N)cc2)c1OC ZINC000763233733 640520329 /nfs/dbraw/zinc/52/03/29/640520329.db2.gz CJQTVLIAOZMPQB-MRXNPFEDSA-N 0 3 312.369 2.399 20 30 DEEDHN CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000763969459 640591037 /nfs/dbraw/zinc/59/10/37/640591037.db2.gz QAYVPPPXJROQBJ-SJORKVTESA-N 0 3 309.498 2.489 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)C#CC1CC1 ZINC000988825468 640674832 /nfs/dbraw/zinc/67/48/32/640674832.db2.gz LSDBEFAJLYWBTL-CJNGLKHVSA-N 0 3 300.377 2.318 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3nccc(C)c3c2)C1 ZINC000988891215 640684152 /nfs/dbraw/zinc/68/41/52/640684152.db2.gz MRMCZOHEUGKLPE-ZBFHGGJFSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC000989031813 640707091 /nfs/dbraw/zinc/70/70/91/640707091.db2.gz BFGOOZBXIIRNLD-HIFRSBDPSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC000989031812 640707094 /nfs/dbraw/zinc/70/70/94/640707094.db2.gz BFGOOZBXIIRNLD-DZGCQCFKSA-N 0 3 304.821 2.403 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c(C)cccc2Cl)C1 ZINC000989092321 640721198 /nfs/dbraw/zinc/72/11/98/640721198.db2.gz DUNGAGWEOCXBPE-ZIAGYGMSSA-N 0 3 304.821 2.403 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccn3cncc3c2)C1 ZINC000989107780 640721861 /nfs/dbraw/zinc/72/18/61/640721861.db2.gz BBDJMZSBNXXVDN-OCCSQVGLSA-N 0 3 318.808 2.279 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC000989191761 640748891 /nfs/dbraw/zinc/74/88/91/640748891.db2.gz APYHRVCEJRLTQK-YOEHRIQHSA-N 0 3 309.413 2.313 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000989258622 640769596 /nfs/dbraw/zinc/76/95/96/640769596.db2.gz IZTVLMXXDHBRBW-VXGBXAGGSA-N 0 3 315.398 2.229 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nsc3ccc(C)cc32)C1 ZINC000989297521 640781189 /nfs/dbraw/zinc/78/11/89/640781189.db2.gz COOKNHHAHJZKDO-CHWSQXEVSA-N 0 3 313.426 2.431 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000989433466 640886007 /nfs/dbraw/zinc/88/60/07/640886007.db2.gz GMZHMFQRYNTTOT-QZTJIDSGSA-N 0 3 320.477 2.385 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000841992774 650621926 /nfs/dbraw/zinc/62/19/26/650621926.db2.gz XAWORFCRTQXIKJ-SJLPKXTDSA-N 0 3 312.417 2.209 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(Cl)n2)CC1 ZINC000767985832 641040502 /nfs/dbraw/zinc/04/05/02/641040502.db2.gz YQQIFMVOFDDLCX-UHFFFAOYSA-N 0 3 309.797 2.124 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc(CCO)cc1 ZINC000898169383 641042660 /nfs/dbraw/zinc/04/26/60/641042660.db2.gz BGCKTAOZQBCWNC-UHFFFAOYSA-N 0 3 309.413 2.449 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000989484956 641117139 /nfs/dbraw/zinc/11/71/39/641117139.db2.gz HEIFJYVDZCIPAZ-AAEUAGOBSA-N 0 3 308.784 2.234 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2ccnc2C(C)C)C1 ZINC000989504990 641131625 /nfs/dbraw/zinc/13/16/25/641131625.db2.gz XNNOUIJRMXQLCA-ZIAGYGMSSA-N 0 3 324.856 2.338 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000989521255 641135812 /nfs/dbraw/zinc/13/58/12/641135812.db2.gz GFVAEXFUWRZILE-AAEUAGOBSA-N 0 3 306.793 2.174 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC000989580382 641155998 /nfs/dbraw/zinc/15/59/98/641155998.db2.gz XXKCWNRKZWSNMF-SFHVURJKSA-N 0 3 312.413 2.206 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCc2ccccc2F)CC1 ZINC000989648088 641181809 /nfs/dbraw/zinc/18/18/09/641181809.db2.gz FUIHYOULQCXVLT-UHFFFAOYSA-N 0 3 302.393 2.316 20 30 DEEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925327405 641322803 /nfs/dbraw/zinc/32/28/03/641322803.db2.gz WARSYYGDSIHOAN-DGCLKSJQSA-N 0 3 302.378 2.171 20 30 DEEDHN Cc1ncoc1C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000990686592 641602602 /nfs/dbraw/zinc/60/26/02/641602602.db2.gz CMNIXBXWIKIUMW-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN N#CCSCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772693087 641674910 /nfs/dbraw/zinc/67/49/10/641674910.db2.gz ZXNMERPUVZPTEP-UHFFFAOYSA-N 0 3 308.403 2.292 20 30 DEEDHN C=C(CC)CON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000773178217 641739594 /nfs/dbraw/zinc/73/95/94/641739594.db2.gz UUOVPKXARKBUSD-UHFFFAOYSA-N 0 3 317.433 2.456 20 30 DEEDHN Cc1csc(CCC(=O)C(C#N)C(=O)NC2CCCC2)n1 ZINC000774057036 641857402 /nfs/dbraw/zinc/85/74/02/641857402.db2.gz WTZGCWMLAXGZCC-LBPRGKRZSA-N 0 3 305.403 2.152 20 30 DEEDHN CCCCCCCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000774170711 641872862 /nfs/dbraw/zinc/87/28/62/641872862.db2.gz FKBHBEHFXYKMKA-CVEARBPZSA-N 0 3 323.481 2.158 20 30 DEEDHN CCN(CC)c1ccc(/C=[NH+]\CC[C@H]2CNC(=O)C2)c([O-])c1 ZINC000899226022 642002632 /nfs/dbraw/zinc/00/26/32/642002632.db2.gz IZZSXDLVAWEVGQ-FDIDITGRSA-N 0 3 303.406 2.184 20 30 DEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775573662 642061422 /nfs/dbraw/zinc/06/14/22/642061422.db2.gz IOKASFSTTVUJKZ-RCBQFDQVSA-N 0 3 304.365 2.313 20 30 DEEDHN C[C@@H](NCc1ccc(-n2cncn2)nc1)c1ccc(C#N)cc1 ZINC000776154861 642136833 /nfs/dbraw/zinc/13/68/33/642136833.db2.gz WJRADGXRBXYJKW-CYBMUJFWSA-N 0 3 304.357 2.385 20 30 DEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@H](C#N)C2)cc1 ZINC000900639939 642431632 /nfs/dbraw/zinc/43/16/32/642431632.db2.gz PQOAODJWLNHCHX-RHSMWYFYSA-N 0 3 315.417 2.496 20 30 DEEDHN CN(C)[C@@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000780848978 642678861 /nfs/dbraw/zinc/67/88/61/642678861.db2.gz SYHTZZROLROQBF-ROUUACIJSA-N 0 3 323.396 2.011 20 30 DEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)N[C@H](C)c2cc(C#N)ccn2)C1 ZINC000903048330 643238166 /nfs/dbraw/zinc/23/81/66/643238166.db2.gz MEONKWNCVCIQFE-JWDQPFGJSA-N 0 3 303.406 2.170 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCOCC2)c1 ZINC000786310297 643351058 /nfs/dbraw/zinc/35/10/58/643351058.db2.gz IBNCXXOMIBTPDA-DZGCQCFKSA-N 0 3 300.358 2.459 20 30 DEEDHN N#CC(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)c1nc2ccccc2[nH]1 ZINC000786927791 643429702 /nfs/dbraw/zinc/42/97/02/643429702.db2.gz XYPYQYWAYZAXOP-QJPTWQEYSA-N 0 3 310.357 2.031 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1NCCC#N ZINC000787300580 643478485 /nfs/dbraw/zinc/47/84/85/643478485.db2.gz QWTAJSZOHYAAQX-SOUVJXGZSA-N 0 3 323.437 2.294 20 30 DEEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2cccc(OC)c2)C1 ZINC000805854414 643548638 /nfs/dbraw/zinc/54/86/38/643548638.db2.gz UYMMHSFJWXXTMR-WDIPEOLASA-N 0 3 316.357 2.158 20 30 DEEDHN COc1cccc(O)c1/C=N/[C@@H]1CCCN2CCSC[C@H]12 ZINC000905003630 643761610 /nfs/dbraw/zinc/76/16/10/643761610.db2.gz VFNRYQLWWAEHJJ-DPOBWDHUSA-N 0 3 306.431 2.400 20 30 DEEDHN CC1/C(=C/c2ccc(O[C@H]3CCOC3)cc2)C(=O)c2ncnn21 ZINC000905085020 643779481 /nfs/dbraw/zinc/77/94/81/643779481.db2.gz LFDBBUKMJGDWQD-PVNRZXLWSA-N 0 3 311.341 2.287 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1OCC#N ZINC000791058228 643924423 /nfs/dbraw/zinc/92/44/23/643924423.db2.gz BVPLLXHPAJEZLF-MRXNPFEDSA-N 0 3 315.417 2.439 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCc2cccnc21 ZINC000905603450 643960672 /nfs/dbraw/zinc/96/06/72/643960672.db2.gz WXCWQXDBXHCQKV-DLBZAZTESA-N 0 3 323.396 2.360 20 30 DEEDHN COC(=O)C1CC2(C1)C[C@@H](NC[C@H](C#N)CCC#N)CCS2 ZINC000905696660 644017006 /nfs/dbraw/zinc/01/70/06/644017006.db2.gz PSZCEIMDTWJWJY-REWIBIJMSA-N 0 3 321.446 2.237 20 30 DEEDHN COc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c([O-])c1 ZINC000793387592 644243599 /nfs/dbraw/zinc/24/35/99/644243599.db2.gz IEZBXOWOPARPFM-UHFFFAOYSA-N 0 3 308.341 2.210 20 30 DEEDHN C#CCN(C(=O)c1c(F)cc(C#N)cc1F)C1CCN(C)CC1 ZINC000906451515 644253512 /nfs/dbraw/zinc/25/35/12/644253512.db2.gz GZTDUUOCDLDMEN-UHFFFAOYSA-N 0 3 317.339 2.006 20 30 DEEDHN C[C@@H]1CN(CCCCNC(=O)c2ccsc2C#N)C[C@H](C)O1 ZINC000906931414 644389690 /nfs/dbraw/zinc/38/96/90/644389690.db2.gz XBRKJMAIDJCWLH-BETUJISGSA-N 0 3 321.446 2.239 20 30 DEEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNCCOC(C)C ZINC000794927171 644494910 /nfs/dbraw/zinc/49/49/10/644494910.db2.gz JLBZYVNNPSBXRB-UHFFFAOYSA-N 0 3 301.394 2.111 20 30 DEEDHN CCS(=O)(=O)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000795792922 644636764 /nfs/dbraw/zinc/63/67/64/644636764.db2.gz WJOMBIGNIIXWJT-INIZCTEOSA-N 0 3 306.431 2.350 20 30 DEEDHN COCC#CCN1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359906 645165395 /nfs/dbraw/zinc/16/53/95/645165395.db2.gz CSUAARWYVAJKSA-HNNXBMFYSA-N 0 3 310.438 2.263 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000801930884 645463753 /nfs/dbraw/zinc/46/37/53/645463753.db2.gz YPTZXSGQLQRYNA-AWEZNQCLSA-N 0 3 316.405 2.201 20 30 DEEDHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)CC(C)(C)C#N)cc1 ZINC000924830877 645491687 /nfs/dbraw/zinc/49/16/87/645491687.db2.gz IWFOTSCEYXRADL-AWEZNQCLSA-N 0 3 323.462 2.191 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000843896546 651045554 /nfs/dbraw/zinc/04/55/54/651045554.db2.gz GVIXJTLJLSLQBJ-UHFFFAOYSA-N 0 3 300.402 2.085 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000911948557 645880800 /nfs/dbraw/zinc/88/08/00/645880800.db2.gz PWZNQLXRQBDQHY-AWEZNQCLSA-N 0 3 306.406 2.046 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000912018786 645917422 /nfs/dbraw/zinc/91/74/22/645917422.db2.gz LHJXYAXOINOMEQ-AWEZNQCLSA-N 0 3 306.406 2.346 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000807261696 645932321 /nfs/dbraw/zinc/93/23/21/645932321.db2.gz HEBDPIIHMQNPDJ-KSSFIOAISA-N 0 3 307.397 2.484 20 30 DEEDHN CC[C@H]1CN(C)CCN1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000840090205 645940336 /nfs/dbraw/zinc/94/03/36/645940336.db2.gz DBVTZSKDLIMWGI-KRWDZBQOSA-N 0 3 324.432 2.109 20 30 DEEDHN CCCN(C(=O)c1ccc(C=NOC)cc1)[C@H]1CCN(C)C1 ZINC000843991704 651059288 /nfs/dbraw/zinc/05/92/88/651059288.db2.gz LBDSLGJRCXIPBQ-INIZCTEOSA-N 0 3 303.406 2.223 20 30 DEEDHN C#CCN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CSC1 ZINC000912361964 646042537 /nfs/dbraw/zinc/04/25/37/646042537.db2.gz MDPOJBPKGLKEOJ-UHFFFAOYSA-N 0 3 313.426 2.482 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000912483727 646086638 /nfs/dbraw/zinc/08/66/38/646086638.db2.gz CLWVSRPDAXVDPE-HNNXBMFYSA-N 0 3 317.389 2.261 20 30 DEEDHN CC[S@@](=O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000810143054 646330850 /nfs/dbraw/zinc/33/08/50/646330850.db2.gz AFTJBFPZZBOHEZ-HXUWFJFHSA-N 0 3 304.337 2.435 20 30 DEEDHN CSc1ccc(CNCCNC(=O)C2N=CC=CC2=O)s1 ZINC000810145339 646331336 /nfs/dbraw/zinc/33/13/36/646331336.db2.gz ZHGWHKTXLCQOKE-YPKPFQOOSA-N 0 3 323.443 2.086 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCCN(C)Cc1ccccc1 ZINC000810192954 646338161 /nfs/dbraw/zinc/33/81/61/646338161.db2.gz RQXMUTFVYJELQV-UHFFFAOYSA-N 0 3 306.409 2.459 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCSC2)cc1 ZINC000810533506 646371725 /nfs/dbraw/zinc/37/17/25/646371725.db2.gz NVTIHRCPSTZSLM-RISCZKNCSA-N 0 3 318.398 2.486 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C[C@@H]1C ZINC000947314768 646518595 /nfs/dbraw/zinc/51/85/95/646518595.db2.gz HVWPAJOZJVNOTF-BBRMVZONSA-N 0 3 312.417 2.411 20 30 DEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(OCC)no3)CCC[C@H]12 ZINC000991885035 646690880 /nfs/dbraw/zinc/69/08/80/646690880.db2.gz QIKKPCKGIDWQFW-WMLDXEAASA-N 0 3 319.405 2.376 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(CC)nnc3C)CCC[C@H]12 ZINC000992016672 646829179 /nfs/dbraw/zinc/82/91/79/646829179.db2.gz XUFRSCGPNXINLI-FUHWJXTLSA-N 0 3 314.433 2.260 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(CCC)n[nH]3)CCC[C@@H]12 ZINC000992083764 646847677 /nfs/dbraw/zinc/84/76/77/646847677.db2.gz HLTKANPHDPDYMR-WBVHZDCISA-N 0 3 302.422 2.275 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(CCC)n[nH]3)CCC[C@H]12 ZINC000992083756 646847960 /nfs/dbraw/zinc/84/79/60/646847960.db2.gz HLTKANPHDPDYMR-DOTOQJQBSA-N 0 3 302.422 2.275 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nn(C)c(C)c3Cl)CCC[C@H]12 ZINC000992257067 646915818 /nfs/dbraw/zinc/91/58/18/646915818.db2.gz GLRRDSHWVHZMRI-BLLLJJGKSA-N 0 3 322.840 2.295 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)nc3OC)CCC[C@H]12 ZINC000992284058 646928227 /nfs/dbraw/zinc/92/82/27/646928227.db2.gz GURFGAALXQBXNC-MAUKXSAKSA-N 0 3 315.417 2.311 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3ccc4c(c3)N(C)CC4)CCC[C@@H]12 ZINC000992458319 647028863 /nfs/dbraw/zinc/02/88/63/647028863.db2.gz SMOCPTBTOULRQC-UYAOXDASSA-N 0 3 323.440 2.039 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)Cn3ccc4ccccc43)CCC[C@H]12 ZINC000992491871 647065612 /nfs/dbraw/zinc/06/56/12/647065612.db2.gz HFIJVWDKKZKJRV-AZUAARDMSA-N 0 3 321.424 2.388 20 30 DEEDHN N#C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000913892124 647086480 /nfs/dbraw/zinc/08/64/80/647086480.db2.gz IXOGRLUSCZRNQP-IRXDYDNUSA-N 0 3 312.417 2.206 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001015249992 647131715 /nfs/dbraw/zinc/13/17/15/647131715.db2.gz WKYIWCGLJPRVHH-HNNXBMFYSA-N 0 3 306.356 2.381 20 30 DEEDHN C#CCN(CC)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC000929789230 647139887 /nfs/dbraw/zinc/13/98/87/647139887.db2.gz VPMIWNSVPVFJTK-YJBOKZPZSA-N 0 3 322.449 2.358 20 30 DEEDHN N#CCN1CCC(NCc2c(Cl)nc3ccccn32)CC1 ZINC000730578252 647363315 /nfs/dbraw/zinc/36/33/15/647363315.db2.gz GIFBTTCDOATZHZ-UHFFFAOYSA-N 0 3 303.797 2.065 20 30 DEEDHN CCCCCCCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000818011421 647405376 /nfs/dbraw/zinc/40/53/76/647405376.db2.gz ZPYJHGDWXVHIKY-OAHLLOKOSA-N 0 3 307.442 2.261 20 30 DEEDHN CN(C)C(=O)Sc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000818111392 647422558 /nfs/dbraw/zinc/42/25/58/647422558.db2.gz OXQKDLADRFYPPY-CYBMUJFWSA-N 0 3 320.418 2.420 20 30 DEEDHN Cc1cc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)ccc1C#N ZINC000915010959 647462792 /nfs/dbraw/zinc/46/27/92/647462792.db2.gz BFJDKMVSMNXYOD-INIZCTEOSA-N 0 3 320.414 2.061 20 30 DEEDHN C#CCN(C)CCCNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000818593137 647484472 /nfs/dbraw/zinc/48/44/72/647484472.db2.gz NIMXRGBVBKPMTA-UHFFFAOYSA-N 0 3 302.393 2.391 20 30 DEEDHN CC(C)=CCN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993182949 647486880 /nfs/dbraw/zinc/48/68/80/647486880.db2.gz GMKLTCSCZNGAAB-CJNGLKHVSA-N 0 3 300.406 2.435 20 30 DEEDHN CC(C)=CCN1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000993239363 647565560 /nfs/dbraw/zinc/56/55/60/647565560.db2.gz UOGPUZZEUYPQQQ-UKRRQHHQSA-N 0 3 300.406 2.435 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@@H]1C ZINC000993324481 647604790 /nfs/dbraw/zinc/60/47/90/647604790.db2.gz GYGDTPUQFYFQEH-GJZGRUSLSA-N 0 3 316.449 2.214 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@@H]1C ZINC000993403034 647650151 /nfs/dbraw/zinc/65/01/51/647650151.db2.gz XUTDDHHJTZDSSQ-STQMWFEESA-N 0 3 324.375 2.193 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H]1C ZINC000993458953 647678468 /nfs/dbraw/zinc/67/84/68/647678468.db2.gz VSVYUXTWCXCEDB-ZFWWWQNUSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H]1C ZINC000993617232 647708370 /nfs/dbraw/zinc/70/83/70/647708370.db2.gz ADXYZWRIZQHVLN-LSDHHAIUSA-N 0 3 302.422 2.070 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnc3n2CCCC3)[C@H]1C ZINC000993734727 647741853 /nfs/dbraw/zinc/74/18/53/647741853.db2.gz VGKOLOCFKLIVLE-CABCVRRESA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccn(C)c2CC)[C@H]1C ZINC000993813380 647749359 /nfs/dbraw/zinc/74/93/59/647749359.db2.gz GXISVWOUERNSLB-ZBFHGGJFSA-N 0 3 301.434 2.194 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H]1C ZINC000993859086 647751926 /nfs/dbraw/zinc/75/19/26/647751926.db2.gz GZAJSQBDNIMEKM-DZGCQCFKSA-N 0 3 303.406 2.254 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H]1C ZINC000993840610 647754218 /nfs/dbraw/zinc/75/42/18/647754218.db2.gz GFRGTAGERKJHGS-GXTWGEPZSA-N 0 3 302.422 2.446 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC000993883547 647757705 /nfs/dbraw/zinc/75/77/05/647757705.db2.gz ZGIMOWVPVOHVTA-BEFAXECRSA-N 0 3 310.441 2.394 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H]1C ZINC000993983534 647773416 /nfs/dbraw/zinc/77/34/16/647773416.db2.gz AFMISKWPTQKDQV-WMLDXEAASA-N 0 3 324.428 2.477 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H]1C ZINC000994078237 647785787 /nfs/dbraw/zinc/78/57/87/647785787.db2.gz HQQBZBIZLZOTOO-DZGCQCFKSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)nn2C)[C@@H]1C ZINC000994138525 647800495 /nfs/dbraw/zinc/80/04/95/647800495.db2.gz YXCKNNFOMMTFKN-LSDHHAIUSA-N 0 3 316.449 2.150 20 30 DEEDHN C#C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000820440934 647845634 /nfs/dbraw/zinc/84/56/34/647845634.db2.gz PQCABWPFVWWTPW-GFCCVEGCSA-N 0 3 309.360 2.060 20 30 DEEDHN C#C[C@@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000820590950 647876390 /nfs/dbraw/zinc/87/63/90/647876390.db2.gz MKFNHMSLFYVAQM-CRAIPNDOSA-N 0 3 311.429 2.487 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Sc1ccc(F)cc1 ZINC000820688014 647894707 /nfs/dbraw/zinc/89/47/07/647894707.db2.gz HTLDUPVLAKEVPX-CYBMUJFWSA-N 0 3 308.422 2.378 20 30 DEEDHN Cc1ccc(Cl)c(OCC(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000916866928 647934811 /nfs/dbraw/zinc/93/48/11/647934811.db2.gz NENXIEYALKUVIW-LBPRGKRZSA-N 0 3 320.776 2.359 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)CCCOc1cccc(C)c1 ZINC000916919765 647940094 /nfs/dbraw/zinc/94/00/94/647940094.db2.gz BTBVYBZDBOYLIP-HNNXBMFYSA-N 0 3 300.358 2.165 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H]1C ZINC000994482066 647967261 /nfs/dbraw/zinc/96/72/61/647967261.db2.gz CDQGGJUUBUGMTO-HOCLYGCPSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000917133559 647975009 /nfs/dbraw/zinc/97/50/09/647975009.db2.gz DZIVWXIDDXOHFG-ZBFHGGJFSA-N 0 3 309.413 2.485 20 30 DEEDHN C#CCN1CCC(C(=O)NCCSCc2ccccc2)CC1 ZINC000918758361 648106500 /nfs/dbraw/zinc/10/65/00/648106500.db2.gz NCDRWQUOQLWZKZ-UHFFFAOYSA-N 0 3 316.470 2.381 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncccc2OCC)C[C@@H]1C ZINC000948109768 648380039 /nfs/dbraw/zinc/38/00/39/648380039.db2.gz ZDQFIVXONMZGAO-GJZGRUSLSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Br)nn1C ZINC000824953210 648677835 /nfs/dbraw/zinc/67/78/35/648677835.db2.gz IIGHPOYYFJKFHV-MNOVXSKESA-N 0 3 300.200 2.006 20 30 DEEDHN C#Cc1cccc(CNCc2ccc(N(C)CCOC)nc2)c1 ZINC000825227019 648727787 /nfs/dbraw/zinc/72/77/87/648727787.db2.gz PBQYFKOPHKAWDT-UHFFFAOYSA-N 0 3 309.413 2.435 20 30 DEEDHN CC1(NCc2nccs2)CCN(C(=O)C#CC2CC2)CC1 ZINC000940105009 648800724 /nfs/dbraw/zinc/80/07/24/648800724.db2.gz LCTCLCSXTZDIBL-UHFFFAOYSA-N 0 3 303.431 2.027 20 30 DEEDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000182361401 648883184 /nfs/dbraw/zinc/88/31/84/648883184.db2.gz CKKQKIHQUZDDBE-SJCJKPOMSA-N 0 3 319.405 2.106 20 30 DEEDHN CN(CCC#N)c1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826779778 648925805 /nfs/dbraw/zinc/92/58/05/648925805.db2.gz CTPNYIUYFRSPAQ-UHFFFAOYSA-N 0 3 324.428 2.406 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000940722321 648933026 /nfs/dbraw/zinc/93/30/26/648933026.db2.gz VSUYCKAYTICBJW-INIZCTEOSA-N 0 3 301.434 2.431 20 30 DEEDHN C[C@H]1CN(CCCCNC(=O)C#Cc2cccs2)C[C@H](C)O1 ZINC000826933417 648948988 /nfs/dbraw/zinc/94/89/88/648948988.db2.gz WEICQLVJDUENBU-GJZGRUSLSA-N 0 3 320.458 2.105 20 30 DEEDHN C#CCCOc1ccc(CN2CCC[C@](CO)(OC)C2)cc1 ZINC000826952422 648952434 /nfs/dbraw/zinc/95/24/34/648952434.db2.gz KMSNWAMKHHCOBI-SFHVURJKSA-N 0 3 303.402 2.062 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)C(C)(C)C1 ZINC000940851085 648958839 /nfs/dbraw/zinc/95/88/39/648958839.db2.gz RFEQSNLBGMGEOH-INIZCTEOSA-N 0 3 316.449 2.163 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)n(C)n2)C(C)(C)C1 ZINC000940879203 648961154 /nfs/dbraw/zinc/96/11/54/648961154.db2.gz PIGBNCZGNLJYKS-LBPRGKRZSA-N 0 3 310.829 2.090 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000941032671 648989748 /nfs/dbraw/zinc/98/97/48/648989748.db2.gz JGQUJHFJHAHRPG-WBVHZDCISA-N 0 3 313.445 2.199 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C(C)(C)C1 ZINC000941078627 649000450 /nfs/dbraw/zinc/00/04/50/649000450.db2.gz HCPDTOTUDIIZOW-OAHLLOKOSA-N 0 3 314.433 2.370 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(C)CCOCC2)C(C)(C)C1 ZINC000941105182 649001399 /nfs/dbraw/zinc/00/13/99/649001399.db2.gz MJNRHYACFVJGJK-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#C[C@@H](NCc1c(C)nn(-c2ccccn2)c1C)C1CCOCC1 ZINC000827559410 649051444 /nfs/dbraw/zinc/05/14/44/649051444.db2.gz FIGKAXCCPRTILD-GOSISDBHSA-N 0 3 324.428 2.402 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941512380 649053114 /nfs/dbraw/zinc/05/31/14/649053114.db2.gz DZQMSEFSEOVBLT-UHFFFAOYSA-N 0 3 319.493 2.217 20 30 DEEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)C(F)F ZINC000941705595 649077088 /nfs/dbraw/zinc/07/70/88/649077088.db2.gz SESVFTLCALTPCK-FZMZJTMJSA-N 0 3 307.344 2.150 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@H](C)C1 ZINC000942095392 649155157 /nfs/dbraw/zinc/15/51/57/649155157.db2.gz NWLHBHMCSMFCJY-CABCVRRESA-N 0 3 316.449 2.102 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OCC)nc2)[C@@H](C)C1 ZINC000942102216 649155868 /nfs/dbraw/zinc/15/58/68/649155868.db2.gz UYOHDHUEVXEINL-ZFWWWQNUSA-N 0 3 303.406 2.107 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c2OCCO3)[C@H](C)C1 ZINC000942104265 649156204 /nfs/dbraw/zinc/15/62/04/649156204.db2.gz CFNOWZXNVSQJGG-UKRRQHHQSA-N 0 3 316.401 2.084 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H](C)C1 ZINC000942112660 649158783 /nfs/dbraw/zinc/15/87/83/649158783.db2.gz GBTRVVSQVKXONM-CRAIPNDOSA-N 0 3 309.413 2.321 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2-c2cn[nH]c2)[C@H](C)C1 ZINC000942112455 649159094 /nfs/dbraw/zinc/15/90/94/649159094.db2.gz CFINRUQOHUYEHS-RDTXWAMCSA-N 0 3 322.412 2.150 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000942113605 649160054 /nfs/dbraw/zinc/16/00/54/649160054.db2.gz PXYJVAMHWSWXMJ-JSGCOSHPSA-N 0 3 321.371 2.483 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000942123696 649162114 /nfs/dbraw/zinc/16/21/14/649162114.db2.gz VFVUGHLKUOKVIF-BLLLJJGKSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2nccc3cccnc32)[C@H](C)C1 ZINC000942140124 649164739 /nfs/dbraw/zinc/16/47/39/649164739.db2.gz JKSXZHAAURTUSC-UKRRQHHQSA-N 0 3 310.401 2.256 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2n[nH]c(CC)c2Cl)[C@H](C)C1 ZINC000942134334 649166291 /nfs/dbraw/zinc/16/62/91/649166291.db2.gz LUFQBULEQBADIC-ZYHUDNBSSA-N 0 3 310.829 2.252 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)[C@@H](C)C1 ZINC000942168496 649171818 /nfs/dbraw/zinc/17/18/18/649171818.db2.gz VGZNCMFPYKETFM-WFASDCNBSA-N 0 3 311.385 2.210 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncn3ccc(C)cc23)[C@@H](C)C1 ZINC000942201833 649182447 /nfs/dbraw/zinc/18/24/47/649182447.db2.gz AKSPZTNHGZNXLN-JKSUJKDBSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)nn2CC)[C@H](C)C1 ZINC000942255779 649191516 /nfs/dbraw/zinc/19/15/16/649191516.db2.gz AXIVUJSJBVRHMF-CABCVRRESA-N 0 3 316.449 2.100 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2F)[C@@H](C)C1 ZINC000942272058 649194603 /nfs/dbraw/zinc/19/46/03/649194603.db2.gz NVVRPPGANXKCII-GUYCJALGSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(OC)c2C)[C@@H](C)C1 ZINC000942284862 649196329 /nfs/dbraw/zinc/19/63/29/649196329.db2.gz AHBAJRNYLKZQMX-YOEHRIQHSA-N 0 3 314.429 2.385 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000942395304 649214470 /nfs/dbraw/zinc/21/44/70/649214470.db2.gz XLUNJLWTGDMEMU-RDJZCZTQSA-N 0 3 314.429 2.006 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C2(C3CC3)CCOCC2)[C@@H](C)C1 ZINC000942529032 649235350 /nfs/dbraw/zinc/23/53/50/649235350.db2.gz DMLHMGDQCSHEMA-RDJZCZTQSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)on2)[C@@H](C)C1 ZINC000942535137 649237236 /nfs/dbraw/zinc/23/72/36/649237236.db2.gz DBXIWQZRPRORIQ-KBPBESRZSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2occ3c2CCC3)[C@H](C)C1 ZINC000942532110 649237699 /nfs/dbraw/zinc/23/76/99/649237699.db2.gz FXMHXFVWJWNPFW-CZUORRHYSA-N 0 3 300.402 2.232 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncc(OC(C)C)c2)[C@H](C)C1 ZINC000942557926 649244638 /nfs/dbraw/zinc/24/46/38/649244638.db2.gz OXKJTPDVBKAXJD-RHSMWYFYSA-N 0 3 317.433 2.495 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2OCCC)[C@@H](C)C1 ZINC000942594573 649255973 /nfs/dbraw/zinc/25/59/73/649255973.db2.gz KTUIGUFICDHTQA-LSDHHAIUSA-N 0 3 317.433 2.497 20 30 DEEDHN CS[C@H]1CN(C(=O)C#Cc2cccs2)C[C@@H]1N1CCCC1 ZINC000829165791 649280138 /nfs/dbraw/zinc/28/01/38/649280138.db2.gz 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ZINC001032036582 689046620 /nfs/dbraw/zinc/04/66/20/689046620.db2.gz RJWAZDXAISOHMN-UHFFFAOYSA-N 0 3 305.422 2.419 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccccc2OCC(C)C)C1 ZINC001032057519 689050664 /nfs/dbraw/zinc/05/06/64/689050664.db2.gz QKWLLIVHXWTIOV-UHFFFAOYSA-N 0 3 314.429 2.406 20 30 DEEDHN C=CCCN1CC(CNC(=O)c2cccnc2OCC(C)C)C1 ZINC001032136032 689069390 /nfs/dbraw/zinc/06/93/90/689069390.db2.gz ZIGLPTHATNCUMO-UHFFFAOYSA-N 0 3 317.433 2.354 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001032146220 689071434 /nfs/dbraw/zinc/07/14/34/689071434.db2.gz ITWDCJWUCMTHEK-UHFFFAOYSA-N 0 3 310.319 2.390 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001032176534 689078497 /nfs/dbraw/zinc/07/84/97/689078497.db2.gz JTMDVBUHWQLAQQ-UHFFFAOYSA-N 0 3 306.793 2.034 20 30 DEEDHN C=C(Cl)CN1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032207050 689083362 /nfs/dbraw/zinc/08/33/62/689083362.db2.gz TZCSDXBDGRJDOE-UHFFFAOYSA-N 0 3 321.852 2.162 20 30 DEEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(CC(C)C)[nH]1 ZINC001032402794 689141413 /nfs/dbraw/zinc/14/14/13/689141413.db2.gz JZKVQFXLSKBUAM-KBPBESRZSA-N 0 3 302.422 2.083 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC(C)C ZINC001032428079 689148803 /nfs/dbraw/zinc/14/88/03/689148803.db2.gz HXFBSEXDXDZKTI-HOTGVXAUSA-N 0 3 316.449 2.404 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1nc(C)cc1C ZINC001032549805 689182635 /nfs/dbraw/zinc/18/26/35/689182635.db2.gz QOGZJJMUFQTOOB-IRXDYDNUSA-N 0 3 316.449 2.141 20 30 DEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCOC2)C1 ZINC001032614273 689201972 /nfs/dbraw/zinc/20/19/72/689201972.db2.gz LWZBHJSYIBSLJY-JYJNAYRXSA-N 0 3 304.434 2.054 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)cc1F ZINC001032710930 689232657 /nfs/dbraw/zinc/23/26/57/689232657.db2.gz YIADJQOYTTURFS-GJZGRUSLSA-N 0 3 318.392 2.238 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCC1 ZINC001032756420 689248830 /nfs/dbraw/zinc/24/88/30/689248830.db2.gz NLJMWHHIOGXBJV-YESZJQIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)c(Cl)c1C ZINC001032786429 689259642 /nfs/dbraw/zinc/25/96/42/689259642.db2.gz BUZVPOAWVHGMQX-KBPBESRZSA-N 0 3 322.840 2.015 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1nc(C)cc1C ZINC001032813159 689269623 /nfs/dbraw/zinc/26/96/23/689269623.db2.gz NOUKHIYBPQUYRJ-IKGGRYGDSA-N 0 3 316.449 2.312 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000930924904 694275471 /nfs/dbraw/zinc/27/54/71/694275471.db2.gz XIBBMNZBUUMBHN-LJQANCHMSA-N 0 3 312.413 2.497 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2F)C1 ZINC001033100160 689387268 /nfs/dbraw/zinc/38/72/68/689387268.db2.gz UVWFOYOQVNXOBT-OAHLLOKOSA-N 0 3 306.356 2.063 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(OC)cc2C)C1 ZINC001033108406 689390024 /nfs/dbraw/zinc/39/00/24/689390024.db2.gz QTUGMMYWAOVEPB-MRXNPFEDSA-N 0 3 302.418 2.265 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnn2C2CCCC2)C1 ZINC001033123274 689396859 /nfs/dbraw/zinc/39/68/59/689396859.db2.gz XBCXKLTXEKEJIJ-MRXNPFEDSA-N 0 3 314.433 2.168 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000930939208 694279537 /nfs/dbraw/zinc/27/95/37/694279537.db2.gz DKQMHJQRMVDFNV-XJKSGUPXSA-N 0 3 313.401 2.303 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnoc2-c2ccco2)C1 ZINC001033205627 689425826 /nfs/dbraw/zinc/42/58/26/689425826.db2.gz DSTNJXRMFAYKNV-CYBMUJFWSA-N 0 3 313.357 2.104 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001033258453 689441834 /nfs/dbraw/zinc/44/18/34/689441834.db2.gz YFINICJVJMBOIO-GOSISDBHSA-N 0 3 314.429 2.482 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001033274746 689447122 /nfs/dbraw/zinc/44/71/22/689447122.db2.gz ASZYELDPKHZKEU-HOTGVXAUSA-N 0 3 306.450 2.138 20 30 DEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000874834313 689509033 /nfs/dbraw/zinc/50/90/33/689509033.db2.gz RETJSBXCBHFTCJ-DLBZAZTESA-N 0 3 309.413 2.285 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001033485128 689518278 /nfs/dbraw/zinc/51/82/78/689518278.db2.gz XFDLRTMJJDFLPQ-INIZCTEOSA-N 0 3 317.433 2.462 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001033506345 689524389 /nfs/dbraw/zinc/52/43/89/689524389.db2.gz UZPXLNNYGVCWSY-CQSZACIVSA-N 0 3 318.465 2.440 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001033554170 689540325 /nfs/dbraw/zinc/54/03/25/689540325.db2.gz OZOWQQNUBNONDB-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001033587143 689553140 /nfs/dbraw/zinc/55/31/40/689553140.db2.gz DIHZRNBRLMIVEU-CRAIPNDOSA-N 0 3 314.429 2.407 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001033626082 689564845 /nfs/dbraw/zinc/56/48/45/689564845.db2.gz ZWSJEMJWEWKFEP-GJZGRUSLSA-N 0 3 316.449 2.188 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001033669731 689578909 /nfs/dbraw/zinc/57/89/09/689578909.db2.gz PZBXSZIJZCRLBG-QGZVFWFLSA-N 0 3 313.445 2.158 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001033672944 689580714 /nfs/dbraw/zinc/58/07/14/689580714.db2.gz UERAYXBCRPLKLC-GOEBONIOSA-N 0 3 318.392 2.238 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001033676240 689581304 /nfs/dbraw/zinc/58/13/04/689581304.db2.gz QDDYYZWWTGFCBR-AWEZNQCLSA-N 0 3 303.406 2.126 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001033692292 689585530 /nfs/dbraw/zinc/58/55/30/689585530.db2.gz UTWACJUZIXGPND-WBVHZDCISA-N 0 3 314.429 2.355 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(C)(C)O)C2)CC1 ZINC000875246099 689595022 /nfs/dbraw/zinc/59/50/22/689595022.db2.gz FZYGHJRKQNBTEC-HNNXBMFYSA-N 0 3 323.481 2.219 20 30 DEEDHN C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2[n-]ncc2C(F)(F)F)C1 ZINC001033853063 689638720 /nfs/dbraw/zinc/63/87/20/689638720.db2.gz DBDKMZSKDJBNHK-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2[n-]ncc2C(F)(F)F)C1 ZINC001033853063 689638723 /nfs/dbraw/zinc/63/87/23/689638723.db2.gz DBDKMZSKDJBNHK-JTQLQIEISA-N 0 3 316.327 2.151 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccn3cncc3c2)C1 ZINC001033884049 689650163 /nfs/dbraw/zinc/65/01/63/689650163.db2.gz XAEVJKHOQWOBNR-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001033899774 689655297 /nfs/dbraw/zinc/65/52/97/689655297.db2.gz BJOKJOAHZMKKCW-INIZCTEOSA-N 0 3 317.433 2.462 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2COc3ccccc32)C1 ZINC001034057249 689709181 /nfs/dbraw/zinc/70/91/81/689709181.db2.gz STMNPAXJLFHSLN-NVXWUHKLSA-N 0 3 312.413 2.109 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034207373 689763036 /nfs/dbraw/zinc/76/30/36/689763036.db2.gz QZUYTGXHQBKWCL-MRXNPFEDSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001034211398 689764578 /nfs/dbraw/zinc/76/45/78/689764578.db2.gz MJRLFPACPJXUKK-CVEARBPZSA-N 0 3 316.449 2.376 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001034253591 689783584 /nfs/dbraw/zinc/78/35/84/689783584.db2.gz IXOVYJPIUUSEDB-CQSZACIVSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001034294482 689799153 /nfs/dbraw/zinc/79/91/53/689799153.db2.gz VKSFVMGJLRYVCH-ZDUSSCGKSA-N 0 3 302.422 2.059 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001034295290 689799230 /nfs/dbraw/zinc/79/92/30/689799230.db2.gz DQTFOXGOSMUYOL-DLBZAZTESA-N 0 3 314.429 2.394 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001034362101 689823233 /nfs/dbraw/zinc/82/32/33/689823233.db2.gz YOVXJSLWYMGTTL-HOCLYGCPSA-N 0 3 302.422 2.127 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001034444403 689852644 /nfs/dbraw/zinc/85/26/44/689852644.db2.gz PDXKSHISANGBIJ-WFASDCNBSA-N 0 3 304.438 2.287 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1ccccc1F ZINC000876567609 689859635 /nfs/dbraw/zinc/85/96/35/689859635.db2.gz CGAFSXACPFLZQU-LBPRGKRZSA-N 0 3 300.761 2.181 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000876566315 689859907 /nfs/dbraw/zinc/85/99/07/689859907.db2.gz GFICPNQHOQCSMP-CYBMUJFWSA-N 0 3 307.781 2.222 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1Cn1cccn1 ZINC000876570790 689860854 /nfs/dbraw/zinc/86/08/54/689860854.db2.gz OHVPZGBHFFPVQH-HNNXBMFYSA-N 0 3 318.808 2.018 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001034468388 689860942 /nfs/dbraw/zinc/86/09/42/689860942.db2.gz HNRHKVSEEKMJPK-AWEZNQCLSA-N 0 3 302.422 2.448 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001034468812 689861302 /nfs/dbraw/zinc/86/13/02/689861302.db2.gz RCFSCTYWXFXLKF-AWEZNQCLSA-N 0 3 303.406 2.235 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001034468244 689861363 /nfs/dbraw/zinc/86/13/63/689861363.db2.gz PLDSGJDLHOALFY-KRWDZBQOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 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/nfs/dbraw/zinc/11/70/10/692117010.db2.gz GTFBEHSDCNLUFJ-UHFFFAOYSA-N 0 3 306.356 2.063 20 30 DEEDHN C#CCN(C(=O)CCOc1ccc(F)cc1)C1CCN(C)CC1 ZINC000886585446 692119304 /nfs/dbraw/zinc/11/93/04/692119304.db2.gz WTICPUUXZXUUBF-UHFFFAOYSA-N 0 3 318.392 2.151 20 30 DEEDHN C#CCN(C(=O)COc1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000886588893 692120351 /nfs/dbraw/zinc/12/03/51/692120351.db2.gz BQKZIPRXZGOGBW-UHFFFAOYSA-N 0 3 320.820 2.275 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001046314862 692149086 /nfs/dbraw/zinc/14/90/86/692149086.db2.gz FNBFZDKXHDDQJY-GOSISDBHSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccnn2C2CCC2)C1 ZINC001046324726 692153108 /nfs/dbraw/zinc/15/31/08/692153108.db2.gz ZUAIFMMSHMQWEC-KRWDZBQOSA-N 0 3 302.422 2.378 20 30 DEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001046360846 692165111 /nfs/dbraw/zinc/16/51/11/692165111.db2.gz FXEUWUOOKFODJU-GOSISDBHSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnc3[nH]c(C)nc3c2)C1 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C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001046706647 692268675 /nfs/dbraw/zinc/26/86/75/692268675.db2.gz JSYLGRXJHKREIW-VQIMIIECSA-N 0 3 312.413 2.157 20 30 DEEDHN C#CCC1(NCC(=O)Nc2cc(C)cc(C)c2)CCOCC1 ZINC000887124483 692283786 /nfs/dbraw/zinc/28/37/86/692283786.db2.gz GIDDDVNWGNYKSK-UHFFFAOYSA-N 0 3 300.402 2.404 20 30 DEEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2cncnc2C)C1 ZINC001046918071 692331703 /nfs/dbraw/zinc/33/17/03/692331703.db2.gz XFWICJIHADCZEP-ZDUSSCGKSA-N 0 3 324.375 2.048 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)c3ccccn3)C2)CC1 ZINC001047218376 692395572 /nfs/dbraw/zinc/39/55/72/692395572.db2.gz AXQXHVKEFMJYGP-QGZVFWFLSA-N 0 3 311.429 2.279 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001047395892 692420714 /nfs/dbraw/zinc/42/07/14/692420714.db2.gz MXKYPAGETVCBJZ-GJZGRUSLSA-N 0 3 308.447 2.058 20 30 DEEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001047567604 692437861 /nfs/dbraw/zinc/43/78/61/692437861.db2.gz 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C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2ccncc2n1 ZINC001049592394 692934995 /nfs/dbraw/zinc/93/49/95/692934995.db2.gz IWEKZNVQDVLCJK-MSOLQXFVSA-N 0 3 322.412 2.495 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1cncc(C)c1 ZINC001049617932 692941458 /nfs/dbraw/zinc/94/14/58/692941458.db2.gz MRCPLVKRSYEGLS-ZWKOTPCHSA-N 0 3 311.429 2.021 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(CC)nnc1C ZINC001049619826 692942324 /nfs/dbraw/zinc/94/23/24/692942324.db2.gz XOMVDDWAICAVJE-DLBZAZTESA-N 0 3 314.433 2.212 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc2cn[nH]c21 ZINC001049633034 692947258 /nfs/dbraw/zinc/94/72/58/692947258.db2.gz FBCLXLDWDRTQDT-SJORKVTESA-N 0 3 322.412 2.265 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc2c[nH]nc21 ZINC001049633034 692947262 /nfs/dbraw/zinc/94/72/62/692947262.db2.gz FBCLXLDWDRTQDT-SJORKVTESA-N 0 3 322.412 2.265 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C2CC2)n[nH]1 ZINC001049742778 692981664 /nfs/dbraw/zinc/98/16/64/692981664.db2.gz 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C=CCN1C[C@@H]2CCCN(C(=O)c3cncc4[nH]ccc43)[C@@H]2C1 ZINC001050085943 693103973 /nfs/dbraw/zinc/10/39/73/693103973.db2.gz QCIPREILGUIGIN-SUMWQHHRSA-N 0 3 310.401 2.285 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc4nccn4c3)[C@@H]2C1 ZINC001050181260 693130992 /nfs/dbraw/zinc/13/09/92/693130992.db2.gz HVMFFDTZMCMVPU-GOEBONIOSA-N 0 3 310.401 2.057 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]3CN(CC(=C)C)C[C@H]32)cn1 ZINC001050185952 693132792 /nfs/dbraw/zinc/13/27/92/693132792.db2.gz GPQAWIJRYIPNKR-FUHWJXTLSA-N 0 3 309.413 2.175 20 30 DEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cccc3)[C@@H]2C1 ZINC001050187623 693133117 /nfs/dbraw/zinc/13/31/17/693133117.db2.gz NIIYWLDDJHZUHI-OKZBNKHCSA-N 0 3 313.445 2.385 20 30 DEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC001050190086 693134198 /nfs/dbraw/zinc/13/41/98/693134198.db2.gz YLKYDFVZGOTILB-FUHWJXTLSA-N 0 3 313.445 2.475 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3cnc4cc[nH]c4c3)C2)CC1 ZINC001050558828 693206318 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CPOAHPWKCJLHQJ-ZIAGYGMSSA-N 0 3 324.856 2.454 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1cnn(C)c1 ZINC001389352502 1155317836 /nfs/dbraw/zinc/31/78/36/1155317836.db2.gz RQOPUGOJLOCUSQ-DZGCQCFKSA-N 0 3 324.856 2.074 20 30 DEEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1cccc(F)c1 ZINC001403104129 1162717992 /nfs/dbraw/zinc/71/79/92/1162717992.db2.gz AZLOOSWFHMRSRG-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)C(C)(C)c1cnc[nH]1 ZINC001370971346 1155659352 /nfs/dbraw/zinc/65/93/52/1155659352.db2.gz XLPVUPOPKIZIKH-ZDUSSCGKSA-N 0 3 324.856 2.411 20 30 DEEDHN C[C@@H](CNC(=O)CC(C)(F)F)NCc1ccc(C#N)c(F)c1 ZINC001371356961 1155832264 /nfs/dbraw/zinc/83/22/64/1155832264.db2.gz ZYDDTJAMGJPXDL-JTQLQIEISA-N 0 3 313.323 2.337 20 30 DEEDHN CCN(CCNC(=O)C(C)C)Cc1ccc(OCC#N)cc1 ZINC001390880118 1155904525 /nfs/dbraw/zinc/90/45/25/1155904525.db2.gz ABYMJHKIOMNPPA-UHFFFAOYSA-N 0 3 303.406 2.183 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)Cc1cnn2ccccc12 ZINC001371771096 1156008225 /nfs/dbraw/zinc/00/82/25/1156008225.db2.gz OYHGNZYRJFUEOG-ZDUSSCGKSA-N 0 3 320.824 2.114 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001371896452 1156059357 /nfs/dbraw/zinc/05/93/57/1156059357.db2.gz QGWLZKPJFJYCBZ-SNVBAGLBSA-N 0 3 323.780 2.384 20 30 DEEDHN C[C@H](C#N)C(=O)NCC[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001391300398 1156320992 /nfs/dbraw/zinc/32/09/92/1156320992.db2.gz RXJYTFBXXLNCGY-HUUCEWRRSA-N 0 3 310.401 2.046 20 30 DEEDHN C=C(Cl)CN1CC[C@@H](CNC(=O)CCCn2ccnc2C)C1 ZINC001372662248 1156650609 /nfs/dbraw/zinc/65/06/09/1156650609.db2.gz IGMOCYUNEMUKLJ-HNNXBMFYSA-N 0 3 324.856 2.162 20 30 DEEDHN C=C(Br)CNCC1(NC(=O)[C@@H](C)C#N)CCCC1 ZINC001391766020 1156790720 /nfs/dbraw/zinc/79/07/20/1156790720.db2.gz ZUFHHODZXHBNDL-JTQLQIEISA-N 0 3 314.227 2.073 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C[C@@](C)(O)C1CC1)C1CC1 ZINC001391784323 1156802100 /nfs/dbraw/zinc/80/21/00/1156802100.db2.gz DUZQZYNZSZKTLS-HZPDHXFCSA-N 0 3 314.857 2.165 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001373303530 1156952348 /nfs/dbraw/zinc/95/23/48/1156952348.db2.gz XYXPCZDFLGCNOW-TZMCWYRMSA-N 0 3 324.856 2.121 20 30 DEEDHN CC(C)C[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001373564642 1157096851 /nfs/dbraw/zinc/09/68/51/1157096851.db2.gz CLNPTYVVFBEUIH-KBMXLJTQSA-N 0 3 314.433 2.467 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)COC1CCCC1 ZINC001392547916 1157113676 /nfs/dbraw/zinc/11/36/76/1157113676.db2.gz OSCZXCJWNIDWRH-LBPRGKRZSA-N 0 3 321.446 2.173 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCCCN1CCc1ccns1 ZINC001403284944 1162838176 /nfs/dbraw/zinc/83/81/76/1162838176.db2.gz JOXQVHPIONTJQJ-KBPBESRZSA-N 0 3 320.462 2.206 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1=COCCC1 ZINC001392653098 1157296539 /nfs/dbraw/zinc/29/65/39/1157296539.db2.gz QMPXVCRBUMHYNQ-AWEZNQCLSA-N 0 3 313.401 2.189 20 30 DEEDHN Cc1c(C(=O)N[C@@H](C)CN(C)Cc2cccc(C#N)c2)ccn1C ZINC001392681507 1157329991 /nfs/dbraw/zinc/32/99/91/1157329991.db2.gz CFPRAOPGBBVTOS-AWEZNQCLSA-N 0 3 324.428 2.456 20 30 DEEDHN C[C@@H](CCNC(=O)c1cscn1)NCc1ccccc1C#N ZINC001403343069 1162856542 /nfs/dbraw/zinc/85/65/42/1162856542.db2.gz FFSDFRATTMSLES-LBPRGKRZSA-N 0 3 314.414 2.313 20 30 DEEDHN C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NCc1ccccc1C#N ZINC001403351636 1162859632 /nfs/dbraw/zinc/85/96/32/1162859632.db2.gz BVVIQGYYEYJCIT-CYBMUJFWSA-N 0 3 321.384 2.056 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001403440457 1162883064 /nfs/dbraw/zinc/88/30/64/1162883064.db2.gz ATVSZQLPAQCXPW-SYQHCUMBSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@@H](CCNC(=O)c1ccncc1)NCc1ccccc1C#N ZINC001393783788 1157974650 /nfs/dbraw/zinc/97/46/50/1157974650.db2.gz SAZINXQANFJUJP-AWEZNQCLSA-N 0 3 308.385 2.251 20 30 DEEDHN CCc1oncc1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001374818133 1158042311 /nfs/dbraw/zinc/04/23/11/1158042311.db2.gz XJFNBSXNTRYXTJ-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1cccnc1 ZINC001374989629 1158162901 /nfs/dbraw/zinc/16/29/01/1158162901.db2.gz FLBWIUGMGTUFCG-AWEZNQCLSA-N 0 3 308.385 2.204 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001375030797 1158223996 /nfs/dbraw/zinc/22/39/96/1158223996.db2.gz RPNZOSNDJDTKDR-GFCCVEGCSA-N 0 3 314.364 2.276 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1cc(F)c[nH]1 ZINC001375120199 1158329874 /nfs/dbraw/zinc/32/98/74/1158329874.db2.gz XAYCPAWMHOKAKN-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H](F)C(C)C)C1 ZINC001375542557 1158807804 /nfs/dbraw/zinc/80/78/04/1158807804.db2.gz NUERAPGSGAITGP-SRVKXCTJSA-N 0 3 321.234 2.374 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cc2ccccc2OC)C1 ZINC001375557538 1158812461 /nfs/dbraw/zinc/81/24/61/1158812461.db2.gz ZKHKZENLUGQVGL-CTYIDZIISA-N 0 3 322.836 2.475 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H](OC)C2CCC2)C1 ZINC001375571052 1158816888 /nfs/dbraw/zinc/81/68/88/1158816888.db2.gz SXBFNOQEPAFVGR-NWANDNLSSA-N 0 3 314.857 2.429 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)[C@H]2CCCN2C)CC1 ZINC001375924686 1158985207 /nfs/dbraw/zinc/98/52/07/1158985207.db2.gz QNLYSYWFKRPMNG-CQSZACIVSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc(COC)o1 ZINC001377052497 1159886697 /nfs/dbraw/zinc/88/66/97/1159886697.db2.gz YDNDUFXREGKBAR-NSHDSACASA-N 0 3 300.786 2.277 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001377398290 1160328164 /nfs/dbraw/zinc/32/81/64/1160328164.db2.gz MYZIISZXDSOXDQ-AWEZNQCLSA-N 0 3 313.873 2.194 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H]2CNC(=O)Cc2ccc[nH]2)cc1 ZINC001377413556 1160342350 /nfs/dbraw/zinc/34/23/50/1160342350.db2.gz DXHSFDGVSQDJMA-SFHVURJKSA-N 0 3 322.412 2.210 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cn(C)nc1C ZINC001398185570 1160810404 /nfs/dbraw/zinc/81/04/04/1160810404.db2.gz GHFFBDWSGWEYGK-UKRRQHHQSA-N 0 3 324.856 2.454 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)[C@H](C)CNC(=O)[C@H](C)C#N)c1 ZINC001378019331 1160925566 /nfs/dbraw/zinc/92/55/66/1160925566.db2.gz JGORNPFIRWQCRM-HZPDHXFCSA-N 0 3 317.433 2.278 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2c1OCCO2 ZINC001399348639 1161358136 /nfs/dbraw/zinc/35/81/36/1161358136.db2.gz SELCIYAHWLBNNW-GFCCVEGCSA-N 0 3 324.808 2.308 20 30 DEEDHN C[C@H](CCNC(=O)c1cc(F)c[nH]1)NCc1ccccc1C#N ZINC001399373048 1161367640 /nfs/dbraw/zinc/36/76/40/1161367640.db2.gz QLLVZLNUYVSDGE-GFCCVEGCSA-N 0 3 314.364 2.324 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1ccsn1 ZINC001401626433 1162051057 /nfs/dbraw/zinc/05/10/57/1162051057.db2.gz DKJNNUOJZAGTSE-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001401791292 1162132785 /nfs/dbraw/zinc/13/27/85/1162132785.db2.gz FFILGOWRBZYTDF-LSDHHAIUSA-N 0 3 315.889 2.438 20 30 DEEDHN C=C(Cl)CNC[C@@H](NC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001401852860 1162154277 /nfs/dbraw/zinc/15/42/77/1162154277.db2.gz FCYGQCSMOCAKFX-TZMCWYRMSA-N 0 3 310.829 2.071 20 30 DEEDHN CC1(C(=O)NCC2(NCc3ccc(C#N)c(F)c3)CC2)CC1 ZINC001401947532 1162193529 /nfs/dbraw/zinc/19/35/29/1162193529.db2.gz MCBNOEQZUSZTAZ-UHFFFAOYSA-N 0 3 301.365 2.236 20 30 DEEDHN CCC(=O)NCC[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC001404460789 1163661790 /nfs/dbraw/zinc/66/17/90/1163661790.db2.gz WOWCDIOWCZYRQL-CQSZACIVSA-N 0 3 315.417 2.305 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001405441695 1164093641 /nfs/dbraw/zinc/09/36/41/1164093641.db2.gz AMWWELMMNWEXFP-CYBMUJFWSA-N 0 3 315.826 2.089 20 30 DEEDHN Cc1c(C(=O)NC[C@@H](C)CNCc2ccccc2C#N)ccn1C ZINC001405699161 1164192040 /nfs/dbraw/zinc/19/20/40/1164192040.db2.gz MCWVLMQCQNWWPM-AWEZNQCLSA-N 0 3 324.428 2.361 20 30 DEEDHN CC(C)OCCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001405793866 1164242680 /nfs/dbraw/zinc/24/26/80/1164242680.db2.gz GVEOOVYIMJSMOT-ZDUSSCGKSA-N 0 3 323.462 2.371 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1c(C)[nH]nc1Cl)C(C)C ZINC001406046311 1164407358 /nfs/dbraw/zinc/40/73/58/1164407358.db2.gz WFVYNDNKPLUGIO-JTQLQIEISA-N 0 3 319.236 2.468 20 30 DEEDHN CCc1nc(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)co1 ZINC001406349629 1164548380 /nfs/dbraw/zinc/54/83/80/1164548380.db2.gz ZJDOYEFTLSYZSX-SNVBAGLBSA-N 0 3 318.402 2.078 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CN(C)CCOc1cccc(Cl)c1 ZINC001406597242 1164716319 /nfs/dbraw/zinc/71/63/19/1164716319.db2.gz XZKYCFJMLXHNGS-OLZOCXBDSA-N 0 3 323.824 2.315 20 30 DEEDHN Cc1ccc(CN(C)CCCN(C)C(=O)[C@H](C)C#N)c(C)n1 ZINC001407878821 1165362977 /nfs/dbraw/zinc/36/29/77/1165362977.db2.gz OROFAHYTLORMBS-CYBMUJFWSA-N 0 3 302.422 2.138 20 30 DEEDHN C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001408172891 1165513363 /nfs/dbraw/zinc/51/33/63/1165513363.db2.gz IWSZLRDFUZCIOZ-KBPBESRZSA-N 0 3 301.862 2.048 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccc2cc[nH]c2n1 ZINC001408200665 1165530103 /nfs/dbraw/zinc/53/01/03/1165530103.db2.gz QYCGDOWOOMKYID-NSHDSACASA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001417759245 1167192117 /nfs/dbraw/zinc/19/21/17/1167192117.db2.gz XFVNBDMPFSSERL-FPMFFAJLSA-N 0 3 300.830 2.038 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001417780237 1167208196 /nfs/dbraw/zinc/20/81/96/1167208196.db2.gz AZDSRJVVDXGGHX-JTNHKYCSSA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)COCC2CCCC2)C1 ZINC001417787490 1167213439 /nfs/dbraw/zinc/21/34/39/1167213439.db2.gz WSLKDTQTAKHBCQ-SHTZXODSSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc3cccnc32)[C@@H]1C ZINC001417846272 1167252908 /nfs/dbraw/zinc/25/29/08/1167252908.db2.gz MCZNYLLZJWIIDE-CPUCHLNUSA-N 0 3 322.412 2.473 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001417898242 1167290691 /nfs/dbraw/zinc/29/06/91/1167290691.db2.gz HWRRHAFUKZWEDG-GJZGRUSLSA-N 0 3 324.856 2.303 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](NC(=O)CC(C)C)C1 ZINC001418085728 1167402763 /nfs/dbraw/zinc/40/27/63/1167402763.db2.gz HJCYJNGUVIAHAA-IYBDPMFKSA-N 0 3 315.417 2.350 20 30 DEEDHN CC(C)OCCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001418196629 1167478043 /nfs/dbraw/zinc/47/80/43/1167478043.db2.gz UCJIJBVWXJUPGC-GFCCVEGCSA-N 0 3 309.435 2.029 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2c[nH]nc21 ZINC001418412452 1167636301 /nfs/dbraw/zinc/63/63/01/1167636301.db2.gz BWBPTQOOSAOUIC-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN COCc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H](C)C#N)cc1 ZINC001418593630 1167832140 /nfs/dbraw/zinc/83/21/40/1167832140.db2.gz NDHJDFYSCRFJIZ-YOEHRIQHSA-N 0 3 315.417 2.073 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001418657078 1167868835 /nfs/dbraw/zinc/86/88/35/1167868835.db2.gz BVXQXFHTJCTQCR-XJKSGUPXSA-N 0 3 317.458 2.248 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CCc2cscn2)C1 ZINC001418704048 1167897159 /nfs/dbraw/zinc/89/71/59/1167897159.db2.gz BFVGKYWZHQJXMN-AULYBMBSSA-N 0 3 313.854 2.313 20 30 DEEDHN CC(C)(F)C(=O)NCC1CC(NCc2ccc(C#N)cc2F)C1 ZINC001418845348 1168004056 /nfs/dbraw/zinc/00/40/56/1168004056.db2.gz IVSKOEQEGFMMSK-UHFFFAOYSA-N 0 3 321.371 2.430 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1C ZINC001419074040 1168178799 /nfs/dbraw/zinc/17/87/99/1168178799.db2.gz BGAHZFVDSGINKN-DZGCQCFKSA-N 0 3 324.856 2.303 20 30 DEEDHN Cc1csc(CNC2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001419673219 1168787033 /nfs/dbraw/zinc/78/70/33/1168787033.db2.gz QNDXCILQJZBTCV-QFWMXSHPSA-N 0 3 306.435 2.128 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)COC(C)C)C(C)C ZINC001419862963 1168880100 /nfs/dbraw/zinc/88/01/00/1168880100.db2.gz KIDJJVADPZXOTJ-GFCCVEGCSA-N 0 3 321.259 2.050 20 30 DEEDHN COCCC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001420016645 1169065980 /nfs/dbraw/zinc/06/59/80/1169065980.db2.gz MWYDDHSJHSRVBO-KRWDZBQOSA-N 0 3 315.417 2.018 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)c1ccns1 ZINC001420105363 1169163709 /nfs/dbraw/zinc/16/37/09/1169163709.db2.gz OOIZLVHZLVFFAN-SECBINFHSA-N 0 3 318.240 2.150 20 30 DEEDHN CC(C)Oc1ccccc1CNC[C@H](C)NC(=O)[C@@H](C)C#N ZINC001420405658 1169485968 /nfs/dbraw/zinc/48/59/68/1169485968.db2.gz SDHHTAWXAGOALP-KBPBESRZSA-N 0 3 303.406 2.228 20 30 DEEDHN Cc1ccc(CN(C)C[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC001420564273 1169801651 /nfs/dbraw/zinc/80/16/51/1169801651.db2.gz MIWMVQSVUZCLCF-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN CCCN(CCNC(=O)c1cocn1)Cc1ccc(C#N)cc1 ZINC001420580829 1169810993 /nfs/dbraw/zinc/81/09/93/1169810993.db2.gz DEDXXCLUQDWFTA-UHFFFAOYSA-N 0 3 312.373 2.188 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCCN(Cc2ccccc2)C2CC2)c1 ZINC001420642758 1169847785 /nfs/dbraw/zinc/84/77/85/1169847785.db2.gz LUZPCAGROYLAEF-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1ccccn1)C1CCCCC1 ZINC001422039465 1172247769 /nfs/dbraw/zinc/24/77/69/1172247769.db2.gz XCVCLXIGQDVYEZ-PBHICJAKSA-N 0 3 314.433 2.396 20 30 DEEDHN Cc1nc(C(=O)NC[C@H](C)N(C)Cc2cccc(C#N)c2)co1 ZINC001422491184 1172643670 /nfs/dbraw/zinc/64/36/70/1172643670.db2.gz IBMABRJMSRNKNH-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC001422493975 1172647548 /nfs/dbraw/zinc/64/75/48/1172647548.db2.gz KBYFWTPPNHYTGJ-ZDUSSCGKSA-N 0 3 321.384 2.008 20 30 DEEDHN CCCC[C@H](CNCc1cc(C#N)ccc1OC)NC(C)=O ZINC001422695707 1172814482 /nfs/dbraw/zinc/81/44/82/1172814482.db2.gz ZCEAECSHIIHUAP-MRXNPFEDSA-N 0 3 303.406 2.351 20 30 DEEDHN Cc1nsc(C)c1CNC[C@H](C1CC1)N(C)C(=O)[C@@H](C)C#N ZINC001422985911 1172999431 /nfs/dbraw/zinc/99/94/31/1172999431.db2.gz KEFJSDOBFDQTQD-ZUZCIYMTSA-N 0 3 320.462 2.246 20 30 DEEDHN CC[C@H](F)C(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001423003085 1173009603 /nfs/dbraw/zinc/00/96/03/1173009603.db2.gz BBOMLWYPGMBEPX-HOCLYGCPSA-N 0 3 321.371 2.430 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001423345737 1173274025 /nfs/dbraw/zinc/27/40/25/1173274025.db2.gz SBOLITCHCZDTIL-DKSSEZFCSA-N 0 3 322.412 2.331 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)c2ccncn2)CC1 ZINC001424663733 1173860006 /nfs/dbraw/zinc/86/00/06/1173860006.db2.gz RWTLVLNFYLXUHC-UHFFFAOYSA-N 0 3 322.840 2.403 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)Cc1cccnc1 ZINC001424866575 1174000660 /nfs/dbraw/zinc/00/06/60/1174000660.db2.gz WRMIHLXZSNSLSZ-UHFFFAOYSA-N 0 3 309.841 2.451 20 30 DEEDHN C[C@H](CNC(=O)c1ccn(C)c1)N(C)Cc1ccc(C#N)cc1 ZINC001424929390 1174037703 /nfs/dbraw/zinc/03/77/03/1174037703.db2.gz KMLFNIULLGHWQH-CQSZACIVSA-N 0 3 310.401 2.147 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CN(Cc2cccc3cccnc32)C1 ZINC001425233048 1174250604 /nfs/dbraw/zinc/25/06/04/1174250604.db2.gz MRSYKDSVFWLFBV-UONOGXRCSA-N 0 3 322.412 2.331 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001425410395 1174308547 /nfs/dbraw/zinc/30/85/47/1174308547.db2.gz GXRHGZKVXABKJD-HAQNSBGRSA-N 0 3 311.813 2.396 20 30 DEEDHN CCN1C[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001434385505 1178435933 /nfs/dbraw/zinc/43/59/33/1178435933.db2.gz AGXPMAZADIIXEA-IRXDYDNUSA-N 0 3 324.428 2.087 20 30 DEEDHN Cc1ccc(CN2CC[C@H](Nc3cnc(C#N)c(C#N)n3)C2)cc1 ZINC001434445794 1178564429 /nfs/dbraw/zinc/56/44/29/1178564429.db2.gz FGZZZCGOAYOKDH-HNNXBMFYSA-N 0 3 318.384 2.215 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2cccnc2)CC(C)(C)C1 ZINC001436498589 1179151728 /nfs/dbraw/zinc/15/17/28/1179151728.db2.gz JXYXUYWBJZXIRZ-ZBFHGGJFSA-N 0 3 314.433 2.348 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001436746811 1179214268 /nfs/dbraw/zinc/21/42/68/1179214268.db2.gz HZYRGYKCDQLUSB-CJNGLKHVSA-N 0 3 315.392 2.456 20 30 DEEDHN CCN(CCNC(=O)[C@H](C)C#N)CCOc1ccc(Cl)cc1 ZINC001437594418 1179857422 /nfs/dbraw/zinc/85/74/22/1179857422.db2.gz YLIAVPMBCTYHOF-CYBMUJFWSA-N 0 3 323.824 2.317 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NCC=C(Cl)Cl ZINC001438299692 1180329259 /nfs/dbraw/zinc/32/92/59/1180329259.db2.gz LIMCLLBDQHIZHW-VIFPVBQESA-N 0 3 315.204 2.303 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CCOCC2)CCCC1 ZINC001438362435 1180371249 /nfs/dbraw/zinc/37/12/49/1180371249.db2.gz DSRLOIRUFGPHRZ-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCOC1 ZINC001439201557 1180933793 /nfs/dbraw/zinc/93/37/93/1180933793.db2.gz QPMIXCHNGZCKSR-QWHCGFSZSA-N 0 3 321.446 2.031 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3cncs3)CC2)c1 ZINC001439594107 1181160827 /nfs/dbraw/zinc/16/08/27/1181160827.db2.gz PMVSUUUHNOWMRG-UHFFFAOYSA-N 0 3 312.398 2.067 20 30 DEEDHN CCC(=O)N[C@@]1(C)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001439826676 1181253369 /nfs/dbraw/zinc/25/33/69/1181253369.db2.gz CQEJUBMPZOSQJV-KRWDZBQOSA-N 0 3 301.390 2.080 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001440284900 1181425871 /nfs/dbraw/zinc/42/58/71/1181425871.db2.gz FBNVBTJPQVRPTA-KYOSRNDESA-N 0 3 324.856 2.151 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2(COCC)CC2)C1 ZINC001440285474 1181427326 /nfs/dbraw/zinc/42/73/26/1181427326.db2.gz QFHYIPZMLVDILS-BETUJISGSA-N 0 3 300.830 2.040 20 30 DEEDHN C=C(Br)CNCC1CC(NC(=O)[C@H](C)C2CC2)C1 ZINC001440748528 1181673027 /nfs/dbraw/zinc/67/30/27/1181673027.db2.gz YMOMAFLMPQYASR-XSRFYTQQSA-N 0 3 315.255 2.426 20 30 DEEDHN CC[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001441257959 1181916711 /nfs/dbraw/zinc/91/67/11/1181916711.db2.gz JVLOGDQSBJTPQX-PILAGYSTSA-N 0 3 311.429 2.398 20 30 DEEDHN CC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC001441794161 1182166285 /nfs/dbraw/zinc/16/62/85/1182166285.db2.gz WIILDJZFSYMGND-OLZOCXBDSA-N 0 3 303.406 2.207 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@@H](F)C(C)C)C1 ZINC001442242930 1182387367 /nfs/dbraw/zinc/38/73/67/1182387367.db2.gz XWLVLSWGXFCTIH-MCIGGMRASA-N 0 3 321.234 2.468 20 30 DEEDHN COCC(C)(C)C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001442278270 1182402059 /nfs/dbraw/zinc/40/20/59/1182402059.db2.gz XROORGHQIXMFGC-CQSZACIVSA-N 0 3 317.433 2.215 20 30 DEEDHN C[C@H](C#N)C(=O)NCCN(Cc1cccc2cccnc21)C1CC1 ZINC001442990466 1182821419 /nfs/dbraw/zinc/82/14/19/1182821419.db2.gz AQJGFYAKDAZPAN-CQSZACIVSA-N 0 3 322.412 2.475 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001443800217 1183132869 /nfs/dbraw/zinc/13/28/69/1183132869.db2.gz UHLQCOIHMSUAKU-DZGCQCFKSA-N 0 3 305.447 2.373 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001445351439 1183843196 /nfs/dbraw/zinc/84/31/96/1183843196.db2.gz LCWFODJLLIRTDI-LLVKDONJSA-N 0 3 314.364 2.242 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001445355633 1183845927 /nfs/dbraw/zinc/84/59/27/1183845927.db2.gz RAEANNUVJCAFCG-ZWNOBZJWSA-N 0 3 311.476 2.356 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)Cc1ccoc1 ZINC001445539388 1183896317 /nfs/dbraw/zinc/89/63/17/1183896317.db2.gz WELHVQOHJZKHIA-LBPRGKRZSA-N 0 3 315.348 2.127 20 30 DEEDHN CO[C@@H](C)CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001446150230 1184250090 /nfs/dbraw/zinc/25/00/90/1184250090.db2.gz BZTLLXGFMMOPFY-AWEZNQCLSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)CCn2nc(C)cc2C)C1 ZINC001447801126 1184878394 /nfs/dbraw/zinc/87/83/94/1184878394.db2.gz SKNMGGTUWWYDGT-UHFFFAOYSA-N 0 3 324.856 2.127 20 30 DEEDHN Cc1ncccc1CN1CC[C@]2(NC(=O)[C@@H](C)C#N)CCC[C@H]12 ZINC001449004483 1185478656 /nfs/dbraw/zinc/47/86/56/1185478656.db2.gz BLXABHJELCFSLD-QANKJYHBSA-N 0 3 312.417 2.163 20 30 DEEDHN Cc1ncccc1CN1CC[C@]2(NC(=O)[C@H](C)C#N)CCC[C@H]12 ZINC001449004486 1185479542 /nfs/dbraw/zinc/47/95/42/1185479542.db2.gz BLXABHJELCFSLD-RPVQJOFSSA-N 0 3 312.417 2.163 20 30 DEEDHN CCCN(C)[C@@H](CNC(=O)C#CCOC)c1ccc(Cl)cc1 ZINC001347773813 1151097224 /nfs/dbraw/zinc/09/72/24/1151097224.db2.gz SRBVHCUMSMXLDY-INIZCTEOSA-N 0 3 322.836 2.489 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](OC)C3CCCC3)CCC[C@@H]12 ZINC001332121982 1149822223 /nfs/dbraw/zinc/82/22/23/1149822223.db2.gz ZTANPZDOKRNQHD-SOLBZPMBSA-N 0 3 306.450 2.491 20 30 DEEDHN C=CCOCCN1CCC[C@@H](NC(=O)c2ccc(C)nc2)[C@@H]1C ZINC001332162857 1149828279 /nfs/dbraw/zinc/82/82/79/1149828279.db2.gz YCVDGUVZEASODW-DOTOQJQBSA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)COCc2ncc(C)o2)[C@H]1C ZINC001332185120 1149832216 /nfs/dbraw/zinc/83/22/16/1149832216.db2.gz NBZAKPGIQQLYBY-HUUCEWRRSA-N 0 3 321.421 2.045 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnoc1 ZINC001099194876 782489498 /nfs/dbraw/zinc/48/94/98/782489498.db2.gz UHPCKLUQFVZWBO-OAHLLOKOSA-N 0 3 305.422 2.400 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cc(C)cc(C)c3)C2)C1 ZINC001072939978 790312145 /nfs/dbraw/zinc/31/21/45/790312145.db2.gz HLPBVPSUDOYTAN-UHFFFAOYSA-N 0 3 310.441 2.404 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001332678249 1149878871 /nfs/dbraw/zinc/87/88/71/1149878871.db2.gz NRLDAMCTEGZUQS-HOTGVXAUSA-N 0 3 314.445 2.232 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001332676258 1149878951 /nfs/dbraw/zinc/87/89/51/1149878951.db2.gz JEAWXJAKIVCFEV-AEFFLSMTSA-N 0 3 308.466 2.450 20 30 DEEDHN CCC(CC)C(=O)N[C@H](C)C1CCN(CC#CCOC)CC1 ZINC001332935786 1149927750 /nfs/dbraw/zinc/92/77/50/1149927750.db2.gz YTMXEARUYRIETH-OAHLLOKOSA-N 0 3 308.466 2.289 20 30 DEEDHN CN(C(=O)[C@@H]1CC12CC2)C1CC(NCC#Cc2ccccc2)C1 ZINC001333121216 1150003563 /nfs/dbraw/zinc/00/35/63/1150003563.db2.gz QVTXSZOFFQLVSY-ABHNRTSZSA-N 0 3 308.425 2.417 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1=CCN(CCc2ccccc2F)CC1 ZINC001333309804 1150031239 /nfs/dbraw/zinc/03/12/39/1150031239.db2.gz JCFSVVMQQIIWGD-CQSZACIVSA-N 0 3 315.392 2.276 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)Cc2ccc(C)o2)CC1 ZINC001333322741 1150033853 /nfs/dbraw/zinc/03/38/53/1150033853.db2.gz DFBQJQANOIFZEJ-UHFFFAOYSA-N 0 3 318.417 2.081 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnn(CC)c2)CC(C)(C)C1 ZINC001089344901 782890151 /nfs/dbraw/zinc/89/01/51/782890151.db2.gz RJPBYPKPJXXZRG-INIZCTEOSA-N 0 3 316.449 2.147 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(CCC)cc2)[C@@H](O)C1 ZINC001083738465 782915841 /nfs/dbraw/zinc/91/58/41/782915841.db2.gz HIFUNYVMSMBURS-MSOLQXFVSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2[nH]cnc2C(F)(F)F)C[C@@H]1C ZINC000947392587 783125137 /nfs/dbraw/zinc/12/51/37/783125137.db2.gz WOARCYRIZFQXJE-VHSXEESVSA-N 0 3 316.327 2.197 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)sc2C)C[C@H]1C ZINC000947442818 783138316 /nfs/dbraw/zinc/13/83/16/783138316.db2.gz ZLXWWCPQJNGPKA-RISCZKNCSA-N 0 3 305.447 2.366 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncn3ccc(C)cc23)C[C@@H]1C ZINC000947468475 783145336 /nfs/dbraw/zinc/14/53/36/783145336.db2.gz KIYFYXNYPZKJMP-LSDHHAIUSA-N 0 3 312.417 2.411 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccn(C)c2CC)CC(C)(C)C1 ZINC001089492049 783156770 /nfs/dbraw/zinc/15/67/70/783156770.db2.gz BGTLHWAEPAGIFS-HNNXBMFYSA-N 0 3 315.461 2.441 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)CC(C)(C)C1 ZINC001089497922 783164148 /nfs/dbraw/zinc/16/41/48/783164148.db2.gz JZHLMMGFUTZHSZ-CQSZACIVSA-N 0 3 316.449 2.387 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3cnccc3c2)C[C@H]1C ZINC000947543325 783167683 /nfs/dbraw/zinc/16/76/83/783167683.db2.gz SGQYTDACYLKZGJ-CZUORRHYSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(CC)nnc2C)C[C@@H]1C ZINC000947569372 783177549 /nfs/dbraw/zinc/17/75/49/783177549.db2.gz WZDKKHXVJGREQE-SWLSCSKDSA-N 0 3 302.422 2.116 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cn(CC)cn2)CC(C)(C)C1 ZINC001089540557 783191334 /nfs/dbraw/zinc/19/13/34/783191334.db2.gz WRAXAVJUODDZJA-OAHLLOKOSA-N 0 3 316.449 2.147 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C[C@H]1C ZINC000947663902 783199947 /nfs/dbraw/zinc/19/99/47/783199947.db2.gz ZPHKDZULYHVQHA-CZUORRHYSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)nc(OC)c2)C[C@@H]1C ZINC000947662974 783200335 /nfs/dbraw/zinc/20/03/35/783200335.db2.gz NMXXGHKTHPOCRU-HOCLYGCPSA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(OC)cc2C)C[C@@H]1C ZINC000947670466 783201815 /nfs/dbraw/zinc/20/18/15/783201815.db2.gz FSSAKSDAZLDQHJ-GJZGRUSLSA-N 0 3 300.402 2.220 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(OC)c2)C[C@H]1C ZINC000947734824 783217354 /nfs/dbraw/zinc/21/73/54/783217354.db2.gz GRJZFWZWHAWADO-OCCSQVGLSA-N 0 3 304.365 2.050 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)C2CCOCC2)CC(C)(C)C1 ZINC001089569840 783220033 /nfs/dbraw/zinc/22/00/33/783220033.db2.gz JCCLSZFMURNSDR-NVXWUHKLSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)C[C@H]1C ZINC000947759053 783225722 /nfs/dbraw/zinc/22/57/22/783225722.db2.gz WSQYAAGKOWAOAL-ZBFHGGJFSA-N 0 3 322.412 2.293 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C ZINC000947758301 783225970 /nfs/dbraw/zinc/22/59/70/783225970.db2.gz LGCUOKCKBJWNKW-YPMHNXCESA-N 0 3 314.389 2.037 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)C3CCC(F)(F)CC3)C2)C1 ZINC001073015011 790382965 /nfs/dbraw/zinc/38/29/65/790382965.db2.gz JZOPBETWAINLJE-UHFFFAOYSA-N 0 3 310.388 2.370 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(N4CC=CC4)c3)C2)C1 ZINC001073021054 790392595 /nfs/dbraw/zinc/39/25/95/790392595.db2.gz AEGDFEDWMNOQMF-UHFFFAOYSA-N 0 3 323.440 2.397 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c[nH]c(=O)c4ccccc34)C2)C1 ZINC001073035935 790408535 /nfs/dbraw/zinc/40/85/35/790408535.db2.gz ZNHKOKKULVTOQR-UHFFFAOYSA-N 0 3 323.396 2.274 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(OC)c3F)C2)C1 ZINC001073071395 790432802 /nfs/dbraw/zinc/43/28/02/790432802.db2.gz VOJDESVYTYETHO-UHFFFAOYSA-N 0 3 304.365 2.168 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@H](O)C1 ZINC001090690802 790446312 /nfs/dbraw/zinc/44/63/12/790446312.db2.gz UOFFZDYRWVGWDI-HZPDHXFCSA-N 0 3 320.433 2.453 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC001167087561 776640283 /nfs/dbraw/zinc/64/02/83/776640283.db2.gz FFCBFDOEDMJXEG-JSGCOSHPSA-N 0 3 314.857 2.288 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(OC)c3OC)C2)C1 ZINC001073148905 790487632 /nfs/dbraw/zinc/48/76/32/790487632.db2.gz NUXALMXCJUVXPL-UHFFFAOYSA-N 0 3 316.401 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@H](O)C1 ZINC001090751571 790487647 /nfs/dbraw/zinc/48/76/47/790487647.db2.gz GFOFBTZHONSITJ-HUUCEWRRSA-N 0 3 308.809 2.081 20 30 DEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)s2)o1 ZINC001125405974 776922283 /nfs/dbraw/zinc/92/22/83/776922283.db2.gz XIGVPLYMVKHDJY-UHFFFAOYSA-N 0 3 303.387 2.349 20 30 DEEDHN C=CCCC[NH2+]CCCNC(=O)c1nnc2ccccc2c1[O-] ZINC001167491864 777200636 /nfs/dbraw/zinc/20/06/36/777200636.db2.gz RCSKKRWQCYQPDU-UHFFFAOYSA-N 0 3 314.389 2.011 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000971818461 777208926 /nfs/dbraw/zinc/20/89/26/777208926.db2.gz OKLOSIYQIDYWAU-DOMZBBRYSA-N 0 3 304.438 2.239 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@@H](O)C1 ZINC001090783206 790528302 /nfs/dbraw/zinc/52/83/02/790528302.db2.gz KJFBYOQCWHBIMC-HOTGVXAUSA-N 0 3 322.836 2.010 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1c1ccccc1 ZINC001211548490 777354626 /nfs/dbraw/zinc/35/46/26/777354626.db2.gz WQQHZIRTBVVCHH-KSZLIROESA-N 0 3 314.429 2.019 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2sccc2C2CC2)[C@@H](O)C1 ZINC001090784384 790530990 /nfs/dbraw/zinc/53/09/90/790530990.db2.gz UHFPEVXCRSEKDR-GJZGRUSLSA-N 0 3 320.458 2.367 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)C[C@H](C)n2cccn2)CC1 ZINC001167670091 777499095 /nfs/dbraw/zinc/49/90/95/777499095.db2.gz UKHKDTQMKBOSEK-AWEZNQCLSA-N 0 3 324.856 2.463 20 30 DEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1cnc(N(C)C)cc1C ZINC001171069449 790549976 /nfs/dbraw/zinc/54/99/76/790549976.db2.gz JZQNNWCMMHWAMA-AWEZNQCLSA-N 0 3 320.437 2.095 20 30 DEEDHN CC[C@@H](SC)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001125739646 777611958 /nfs/dbraw/zinc/61/19/58/777611958.db2.gz LIQWKIFMBBEARO-CQSZACIVSA-N 0 3 309.410 2.045 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3cc(C)on3)C(C)(C)[C@H]21 ZINC001087270375 777674695 /nfs/dbraw/zinc/67/46/95/777674695.db2.gz YYJIOELXCVCFNJ-BMFZPTHFSA-N 0 3 315.417 2.225 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccn(C)c3)C(C)(C)[C@H]21 ZINC001087282459 777716094 /nfs/dbraw/zinc/71/60/94/777716094.db2.gz YXJKVHBMQAPSDA-IKGGRYGDSA-N 0 3 313.445 2.267 20 30 DEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(F)c[nH]1 ZINC001087295779 777741534 /nfs/dbraw/zinc/74/15/34/777741534.db2.gz 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ZINC001137706410 778061023 /nfs/dbraw/zinc/06/10/23/778061023.db2.gz ASZXWOKWSVKTRY-UHFFFAOYSA-N 0 3 317.433 2.111 20 30 DEEDHN C=CCCN1C[C@H]2OCCN(C(=O)[C@H]3CC4CCC3CC4)[C@H]2C1 ZINC001083284851 778088516 /nfs/dbraw/zinc/08/85/16/778088516.db2.gz SSYCSKPYSBUCEV-NUUXYWTLSA-N 0 3 318.461 2.300 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C ZINC001104839818 778209388 /nfs/dbraw/zinc/20/93/88/778209388.db2.gz MTFSOGAHHNLXLK-XPKDYRNWSA-N 0 3 314.857 2.240 20 30 DEEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC001211680130 778561517 /nfs/dbraw/zinc/56/15/17/778561517.db2.gz IBYICOMBFLIWPK-OKZBNKHCSA-N 0 3 308.425 2.394 20 30 DEEDHN CC[C@@H](C)CC(=O)NCCNCc1ccc(OC)c(C#N)c1 ZINC001126307419 778691227 /nfs/dbraw/zinc/69/12/27/778691227.db2.gz TUCFLHFOCABVHR-CYBMUJFWSA-N 0 3 303.406 2.209 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cncc3ccccc32)CC1 ZINC000981370177 778700858 /nfs/dbraw/zinc/70/08/58/778700858.db2.gz XYFSYENMVOGZST-UHFFFAOYSA-N 0 3 321.424 2.335 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC001073441414 790658071 /nfs/dbraw/zinc/65/80/71/790658071.db2.gz JSUUJCNPOSNNRW-OAHLLOKOSA-N 0 3 314.404 2.487 20 30 DEEDHN CCCC[C@H](C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101223229 778942090 /nfs/dbraw/zinc/94/20/90/778942090.db2.gz XOKARTNRXBFDKM-SCTDSRPQSA-N 0 3 320.477 2.243 20 30 DEEDHN CN1CCN(Cc2ccc(Nc3cccc(C#N)n3)cc2)CC1 ZINC001204734552 778950010 /nfs/dbraw/zinc/95/00/10/778950010.db2.gz RVLZJPITWPXCIX-UHFFFAOYSA-N 0 3 307.401 2.444 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](OCC)C(C)C)C[C@]2(C)C1 ZINC001101267709 779076603 /nfs/dbraw/zinc/07/66/03/779076603.db2.gz PQOMRVYPSLPBQK-AOIWGVFYSA-N 0 3 320.477 2.241 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOC)C1 ZINC001112149901 779174367 /nfs/dbraw/zinc/17/43/67/779174367.db2.gz XSXWGQOJHGWEBQ-YNEHKIRRSA-N 0 3 322.371 2.214 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)[C@H]1CC ZINC001087623752 779382688 /nfs/dbraw/zinc/38/26/88/779382688.db2.gz VAOZZMUJPYAPCS-OFQRWUPVSA-N 0 3 316.449 2.234 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)[C@H]1CC ZINC001087670403 779402773 /nfs/dbraw/zinc/40/27/73/779402773.db2.gz PMMYIZOKDPCMTF-JKSUJKDBSA-N 0 3 312.417 2.411 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@H]1CC ZINC001087764367 779442994 /nfs/dbraw/zinc/44/29/94/779442994.db2.gz NAAHVPREZVIRJX-BYCMXARLSA-N 0 3 304.438 2.285 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(OC)ccc2OC)[C@H]1CC ZINC001087823952 779469998 /nfs/dbraw/zinc/46/99/98/779469998.db2.gz ZXAIZMMZMHVAAK-JKSUJKDBSA-N 0 3 318.417 2.473 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2csc3nccn23)[C@H]1CC ZINC001087830516 779473199 /nfs/dbraw/zinc/47/31/99/779473199.db2.gz JZNNVLZSZPWWHW-UONOGXRCSA-N 0 3 318.446 2.093 20 30 DEEDHN CCN1CCN(Cc2ccc(NC(=O)CCS)cc2)CC1 ZINC001143986758 790706733 /nfs/dbraw/zinc/70/67/33/790706733.db2.gz ZDGXHRYOJDPTQO-UHFFFAOYSA-N 0 3 307.463 2.083 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2csc(CC)n2)[C@H]1CC ZINC001087839035 779476471 /nfs/dbraw/zinc/47/64/71/779476471.db2.gz IQXGWTBKSFHACS-LSDHHAIUSA-N 0 3 319.474 2.240 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(COC)n2)[C@H]1CC ZINC001087846746 779482954 /nfs/dbraw/zinc/48/29/54/779482954.db2.gz SZGJOBNFUZHZRY-GXTWGEPZSA-N 0 3 323.462 2.448 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001073532604 790715230 /nfs/dbraw/zinc/71/52/30/790715230.db2.gz VFFPZDGKMMTCHV-HNNXBMFYSA-N 0 3 306.406 2.293 20 30 DEEDHN CC[C@H](F)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940857 779561257 /nfs/dbraw/zinc/56/12/57/779561257.db2.gz ZKVQWBHAVSREQR-SNPRPXQTSA-N 0 3 318.396 2.028 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccoc3Cl)C[C@@H]2C1 ZINC001087947628 779564312 /nfs/dbraw/zinc/56/43/12/779564312.db2.gz LVACEDVQPIZJIA-OLZOCXBDSA-N 0 3 306.793 2.350 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)sc3C)C[C@@H]2C1 ZINC001088030808 779646155 /nfs/dbraw/zinc/64/61/55/779646155.db2.gz JRUPJDAQCOAWLA-CABCVRRESA-N 0 3 302.443 2.392 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3CCC4(CC4)CC3)C[C@@H]2C1 ZINC001088043529 779652389 /nfs/dbraw/zinc/65/23/89/779652389.db2.gz XHZISLIRJXYNGY-SJORKVTESA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C[C@@H]2C1 ZINC001088049670 779655762 /nfs/dbraw/zinc/65/57/62/779655762.db2.gz SLSRBWNCCMTRTP-ILOCAZANSA-N 0 3 300.446 2.226 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCC3(F)F)C[C@@H]2C1 ZINC001088081673 779684750 /nfs/dbraw/zinc/68/47/50/779684750.db2.gz ZEIXZCNVYYIMFY-ILXRZTDVSA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3F)C[C@@H]2C1 ZINC001088118613 779712202 /nfs/dbraw/zinc/71/22/02/779712202.db2.gz KAQPTUSDWZKANN-CABCVRRESA-N 0 3 300.377 2.161 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)OC3CCCC3)C[C@@H]2C1 ZINC001088125803 779715468 /nfs/dbraw/zinc/71/54/68/779715468.db2.gz AHWFXXLGUKXVBU-SOLBZPMBSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@@H]2C1 ZINC001088187987 779764993 /nfs/dbraw/zinc/76/49/93/779764993.db2.gz CCIRSIYCPBLKKR-KGLIPLIRSA-N 0 3 318.367 2.382 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccc(F)c3)C[C@@H]2C1 ZINC001088206384 779772781 /nfs/dbraw/zinc/77/27/81/779772781.db2.gz OSFZLBQXEOFYGA-UAGQMJEPSA-N 0 3 314.404 2.343 20 30 DEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)C(C)(F)F)CC2)C1 ZINC001088227084 779783239 /nfs/dbraw/zinc/78/32/39/779783239.db2.gz FIOAZFFCWQWZTA-AWEZNQCLSA-N 0 3 316.392 2.157 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC001088227038 779783452 /nfs/dbraw/zinc/78/34/52/779783452.db2.gz DIUNOLHSUJYVOU-INIZCTEOSA-N 0 3 324.440 2.087 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001073601125 790734421 /nfs/dbraw/zinc/73/44/21/790734421.db2.gz GRCCCIRXWHDXDY-SJORKVTESA-N 0 3 318.461 2.187 20 30 DEEDHN CC#CCN1CC[C@@H](OCC2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001088236045 779792881 /nfs/dbraw/zinc/79/28/81/779792881.db2.gz JUDNRSXIIAYLDD-IAGOWNOFSA-N 0 3 324.440 2.087 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(OCC)nc3)[C@@H]2C1 ZINC001075857045 779863765 /nfs/dbraw/zinc/86/37/65/779863765.db2.gz XFQSSXZZZBJRPG-JKSUJKDBSA-N 0 3 315.417 2.203 20 30 DEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)Cc2ccon2)C1 ZINC001088280671 779902079 /nfs/dbraw/zinc/90/20/79/779902079.db2.gz XEGPHCNXOVZJNM-AWEZNQCLSA-N 0 3 311.813 2.330 20 30 DEEDHN C[C@@H](C(=O)N1CCCCC[C@H](NCC#N)C1)N1CCCCCC1 ZINC001088393369 780065877 /nfs/dbraw/zinc/06/58/77/780065877.db2.gz CFELDVJXOZPUIS-IRXDYDNUSA-N 0 3 320.481 2.135 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)nc1 ZINC001144153777 790780780 /nfs/dbraw/zinc/78/07/80/790780780.db2.gz OWHZSTQJMGNQQV-CVEARBPZSA-N 0 3 304.353 2.121 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)COc2ccccc2)C1 ZINC001100912930 780336751 /nfs/dbraw/zinc/33/67/51/780336751.db2.gz RPQQTRNPAJZDJV-UHFFFAOYSA-N 0 3 308.809 2.302 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2ccc(F)cn2)C1 ZINC001100259390 790789237 /nfs/dbraw/zinc/78/92/37/790789237.db2.gz JJRYZLARUYGPQK-UHFFFAOYSA-N 0 3 317.408 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/nfs/dbraw/zinc/83/58/52/790835852.db2.gz FDVMMBJTKRXVAC-HNNXBMFYSA-N 0 3 319.449 2.364 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc4ncn(C)c43)[C@@H]2C1 ZINC001075967447 780939855 /nfs/dbraw/zinc/93/98/55/780939855.db2.gz OBNZHZBVOQXZCY-WMLDXEAASA-N 0 3 324.428 2.296 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccncc3n2)[C@H]1C ZINC001088753045 780941622 /nfs/dbraw/zinc/94/16/22/780941622.db2.gz XZQMWQJCFQXWFY-HIFRSBDPSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)[C@@H]2C1 ZINC001076333417 781223198 /nfs/dbraw/zinc/22/31/98/781223198.db2.gz YZUIPPIMZDVKLW-SXXASDTRSA-N 0 3 308.425 2.291 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(CCC)[nH]c(=O)c3)[C@@H]2C1 ZINC001076338673 781224885 /nfs/dbraw/zinc/22/48/85/781224885.db2.gz CAIKYSOYWYNKFM-XJKSGUPXSA-N 0 3 315.417 2.072 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)[C@@H]2C1 ZINC001076389041 781244495 /nfs/dbraw/zinc/24/44/95/781244495.db2.gz BXRGINDAMUAFHV-XJKSGUPXSA-N 0 3 310.401 2.285 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C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001089693162 783359479 /nfs/dbraw/zinc/35/94/79/783359479.db2.gz HIYKIACMWJQESO-XHSDSOJGSA-N 0 3 306.450 2.370 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2scnc2C)CC1 ZINC000948215410 783373837 /nfs/dbraw/zinc/37/38/37/783373837.db2.gz NDYNWZWRHLYLMN-AWEZNQCLSA-N 0 3 305.447 2.401 20 30 DEEDHN C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2[O-])C1 ZINC001089779674 783428261 /nfs/dbraw/zinc/42/82/61/783428261.db2.gz XZEATGKGQKLCQF-DKIMLUQUSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2[O-])C1 ZINC001089779674 783428264 /nfs/dbraw/zinc/42/82/64/783428264.db2.gz XZEATGKGQKLCQF-DKIMLUQUSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2cc(C3CC3)no2)CC1 ZINC000948431550 783463451 /nfs/dbraw/zinc/46/34/51/783463451.db2.gz BIZOTSMADCFCGU-HNNXBMFYSA-N 0 3 315.417 2.041 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000948565183 783504144 /nfs/dbraw/zinc/50/41/44/783504144.db2.gz AOHVEJIJKFLTFS-OAHLLOKOSA-N 0 3 324.428 2.431 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C(C)C)on2)CC1 ZINC000948652035 783549978 /nfs/dbraw/zinc/54/99/78/783549978.db2.gz IPEKDYNGWWTOBB-AWEZNQCLSA-N 0 3 303.406 2.358 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)CCC2 ZINC001085203608 783578944 /nfs/dbraw/zinc/57/89/44/783578944.db2.gz SDMYNYHVNHTGON-CHWSQXEVSA-N 0 3 322.840 2.212 20 30 DEEDHN C#Cc1ccc(CN2CCN(CCN(CC=C)CC=C)CC2)cc1 ZINC001144578989 790954952 /nfs/dbraw/zinc/95/49/52/790954952.db2.gz VBQCFDPLLPEBLP-UHFFFAOYSA-N 0 3 323.484 2.460 20 30 DEEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ncc(OC)cn3)C2)cc1 ZINC001144581083 790955220 /nfs/dbraw/zinc/95/52/20/790955220.db2.gz NLFPBNZHUYHWJC-MRXNPFEDSA-N 0 3 309.369 2.120 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)ccc1F ZINC000966186302 783596156 /nfs/dbraw/zinc/59/61/56/783596156.db2.gz NTSMZBNUPRWBJK-MRXNPFEDSA-N 0 3 324.359 2.097 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085406799 783670999 /nfs/dbraw/zinc/67/09/99/783670999.db2.gz YBQMTDWWNQRPRE-IAGOWNOFSA-N 0 3 302.393 2.197 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966488469 783672587 /nfs/dbraw/zinc/67/25/87/783672587.db2.gz HQQLGGKZVJAEGZ-UKRRQHHQSA-N 0 3 321.490 2.436 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC000966672316 783727979 /nfs/dbraw/zinc/72/79/79/783727979.db2.gz VQABBYBUGMWOPR-AAEUAGOBSA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC000967211773 783908087 /nfs/dbraw/zinc/90/80/87/783908087.db2.gz YHPNTIJKQJPMQO-CRAIPNDOSA-N 0 3 314.429 2.297 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2nccn21 ZINC001085639260 783916662 /nfs/dbraw/zinc/91/66/62/783916662.db2.gz LQUWAVLSHSMWLS-HOTGVXAUSA-N 0 3 316.449 2.259 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2nccn21 ZINC001085639262 783917387 /nfs/dbraw/zinc/91/73/87/783917387.db2.gz LQUWAVLSHSMWLS-JKSUJKDBSA-N 0 3 316.449 2.259 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncc(C)cc1OC ZINC001085646096 783923940 /nfs/dbraw/zinc/92/39/40/783923940.db2.gz PUVCIRLEXFCSOX-CQSZACIVSA-N 0 3 303.406 2.121 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000967600790 784066371 /nfs/dbraw/zinc/06/63/71/784066371.db2.gz YPMUVGRQQSELPW-IUODEOHRSA-N 0 3 317.433 2.420 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NC(=O)CN(CC)CC)[C@H](C)C1 ZINC001073977512 790994845 /nfs/dbraw/zinc/99/48/45/790994845.db2.gz PVLGETCWKCPBDM-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC000967625401 784073400 /nfs/dbraw/zinc/07/34/00/784073400.db2.gz MEFFXRSVYWLOGT-CZUORRHYSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2C[C@H](C)CC)nn1 ZINC001085864102 784151452 /nfs/dbraw/zinc/15/14/52/784151452.db2.gz RCPWLMJOGCKJDW-CABCVRRESA-N 0 3 319.453 2.047 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001085872909 784161518 /nfs/dbraw/zinc/16/15/18/784161518.db2.gz 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784229617 /nfs/dbraw/zinc/22/96/17/784229617.db2.gz XBQFLQNNYXQAFC-CXAGYDPISA-N 0 3 320.383 2.357 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2nccnc2c1 ZINC001085961305 784260871 /nfs/dbraw/zinc/26/08/71/784260871.db2.gz CFFSNVPOZSJYBG-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340620 784303203 /nfs/dbraw/zinc/30/32/03/784303203.db2.gz RXIFCFKPSXSZCI-CJNGLKHVSA-N 0 3 310.401 2.026 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](CNC(=O)C3CC3)C2)c1 ZINC001086009481 784315130 /nfs/dbraw/zinc/31/51/30/784315130.db2.gz JJLSUJWTPYXPCI-JNSHFYNHSA-N 0 3 301.365 2.092 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CN(C)CCC)CC1 ZINC001066361436 784317313 /nfs/dbraw/zinc/31/73/13/784317313.db2.gz KQOPOZPMNDOWBL-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001086086243 784397975 /nfs/dbraw/zinc/39/79/75/784397975.db2.gz GMBDHMMNANZKPF-BETUJISGSA-N 0 3 324.856 2.459 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001086098821 784408604 /nfs/dbraw/zinc/40/86/04/784408604.db2.gz YQHQINUBIXIZTC-CRWXNKLISA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC000968554829 784463974 /nfs/dbraw/zinc/46/39/74/784463974.db2.gz XXQJNCSSCXYFFS-GDBMZVCRSA-N 0 3 316.449 2.164 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2C#C)C1 ZINC000968592294 784484689 /nfs/dbraw/zinc/48/46/89/784484689.db2.gz LPWJZLSTONGZFX-VQIMIIECSA-N 0 3 308.425 2.060 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001086295372 784554126 /nfs/dbraw/zinc/55/41/26/784554126.db2.gz MNWVLHKNMGBWQT-HJQYOEGKSA-N 0 3 301.228 2.035 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000968664636 784528160 /nfs/dbraw/zinc/52/81/60/784528160.db2.gz HXHYWZNVIKZZRY-AEFFLSMTSA-N 0 3 323.440 2.491 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001086272644 784537488 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C[C@H](Cc1cccc(C#N)c1)N1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001171231926 791072029 /nfs/dbraw/zinc/07/20/29/791072029.db2.gz OBSXMMDJURHIGB-RDTXWAMCSA-N 0 3 311.429 2.480 20 30 DEEDHN N#Cc1cccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169046748 785019487 /nfs/dbraw/zinc/01/94/87/785019487.db2.gz MMIRMFZKJHAYMF-NVXWUHKLSA-N 0 3 314.389 2.126 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001007832431 785021558 /nfs/dbraw/zinc/02/15/58/785021558.db2.gz TZRDXCSWINSBPQ-INIZCTEOSA-N 0 3 301.434 2.342 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001007923545 785049276 /nfs/dbraw/zinc/04/92/76/785049276.db2.gz ZSAICARZIUHFHG-IAGOWNOFSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001008129832 785115779 /nfs/dbraw/zinc/11/57/79/785115779.db2.gz OMXBZIBWKWRRJS-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN Cc1ncoc1CNCCCC[C@@H](C)NC(=O)CSCC#N ZINC001169257933 785120076 /nfs/dbraw/zinc/12/00/76/785120076.db2.gz 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ZINC001130139760 787296792 /nfs/dbraw/zinc/29/67/92/787296792.db2.gz MMANBAYQJBUWEJ-UHFFFAOYSA-N 0 3 320.443 2.213 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)/C=C(/C)C2CC2)C1 ZINC001130352702 787358789 /nfs/dbraw/zinc/35/87/89/787358789.db2.gz XDVHPRKDWMCVQI-CTXBLAANSA-N 0 3 314.433 2.358 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1F ZINC001130526830 787414641 /nfs/dbraw/zinc/41/46/41/787414641.db2.gz YXIYFECNAJKXGB-YCPHGPKFSA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC)CCC)C[C@H]1c1cn(C)cn1 ZINC001130703955 787459320 /nfs/dbraw/zinc/45/93/20/787459320.db2.gz BOKSNFWGHPZLDX-YQQAZPJKSA-N 0 3 318.465 2.316 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c(C)[nH]nc1Cl ZINC001158072003 787467353 /nfs/dbraw/zinc/46/73/53/787467353.db2.gz OEDYKHTYHDYYPW-GFCCVEGCSA-N 0 3 310.829 2.484 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnn31)C2 ZINC001096121605 787513590 /nfs/dbraw/zinc/51/35/90/787513590.db2.gz CIGBGIYYBVTCBF-PMPSAXMXSA-N 0 3 310.401 2.246 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OCC#C)cc1)C2 ZINC001096126204 787515752 /nfs/dbraw/zinc/51/57/52/787515752.db2.gz RGZITWFZFNCOED-NEWSRXKRSA-N 0 3 322.408 2.057 20 30 DEEDHN C=CCN1CC[C@H](NCCNC(=O)C[C@H](CC)CCCC)C1=O ZINC001131485259 787634560 /nfs/dbraw/zinc/63/45/60/787634560.db2.gz XQRLOQLRHNMTOI-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@]1(C(=O)NCCNCc2ccc(C#N)c(F)c2)C[C@H]2C[C@H]2C1 ZINC001131709781 787696648 /nfs/dbraw/zinc/69/66/48/787696648.db2.gz QYLBLGZGEJMMLM-HWWDLCQESA-N 0 3 315.392 2.339 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001131751882 787716768 /nfs/dbraw/zinc/71/67/68/787716768.db2.gz NZRXOEVTFGRKRE-WBVHZDCISA-N 0 3 302.418 2.472 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2cccs2)CC[C@H]1C ZINC001131761708 787731461 /nfs/dbraw/zinc/73/14/61/787731461.db2.gz SIAAAXONYZECNQ-CABCVRRESA-N 0 3 322.474 2.462 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(CCCOC(C)C)C1 ZINC001132021858 787882137 /nfs/dbraw/zinc/88/21/37/787882137.db2.gz QMRMWEDWSSQIOJ-IAGOWNOFSA-N 0 3 308.466 2.430 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(COC)CCCC2)CC[C@@H]1C ZINC001132101384 787927417 /nfs/dbraw/zinc/92/74/17/787927417.db2.gz KLJVQSVTVVWZLW-HOTGVXAUSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COCC2CCCC2)CC[C@H]1C ZINC001132116740 787937845 /nfs/dbraw/zinc/93/78/45/787937845.db2.gz UVFLSWBOQHGMNX-WBVHZDCISA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCc2nc(C(C)C)no2)CC[C@H]1C ZINC001132215002 787969398 /nfs/dbraw/zinc/96/93/98/787969398.db2.gz QCDPXQSHQYCCBZ-ZIAGYGMSSA-N 0 3 320.437 2.281 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132201160 787972608 /nfs/dbraw/zinc/97/26/08/787972608.db2.gz XHVBQCCTFZBQMM-LSDHHAIUSA-N 0 3 312.429 2.298 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2cnn(C(C)(C)C)c2)cc1 ZINC001132222634 787979828 /nfs/dbraw/zinc/97/98/28/787979828.db2.gz CERIYUGUTZWACR-UHFFFAOYSA-N 0 3 324.428 2.139 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2ccn(C)c2C)CC[C@@H]1C ZINC001132268930 787997365 /nfs/dbraw/zinc/99/73/65/787997365.db2.gz DGOGKPUBORJLOV-GOEBONIOSA-N 0 3 319.449 2.119 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)C(C)(C)C(=C)C ZINC001132308585 788020908 /nfs/dbraw/zinc/02/09/08/788020908.db2.gz LVHVPBDXYZNCEY-HNNXBMFYSA-N 0 3 323.481 2.108 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COc2ccccc2)CC[C@@H]1C ZINC001132452062 788084035 /nfs/dbraw/zinc/08/40/35/788084035.db2.gz AIKTVDHIXYZROC-JKSUJKDBSA-N 0 3 300.402 2.058 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2cccc(C)c2)CC[C@H]1C ZINC001132487343 788092972 /nfs/dbraw/zinc/09/29/72/788092972.db2.gz UMDKNCXLJCNAIO-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC001132474845 788094475 /nfs/dbraw/zinc/09/44/75/788094475.db2.gz LDCQFZKULHLWCT-SECBINFHSA-N 0 3 317.286 2.102 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCc2nc(CC)no2)CC[C@@H]1C ZINC001132485833 788099711 /nfs/dbraw/zinc/09/97/11/788099711.db2.gz KBXNJVLBLCDFBF-UONOGXRCSA-N 0 3 320.437 2.110 20 30 DEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001132569377 788133535 /nfs/dbraw/zinc/13/35/35/788133535.db2.gz PLIKYTQXBXQXSY-KGLIPLIRSA-N 0 3 318.417 2.122 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1O[C@H](C)C3)C2 ZINC001097559724 788135986 /nfs/dbraw/zinc/13/59/86/788135986.db2.gz OJNOEMIURYGIFC-UWIFEVILSA-N 0 3 324.424 2.368 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1sc(C)nc1C)C2 ZINC001097565888 788137187 /nfs/dbraw/zinc/13/71/87/788137187.db2.gz HIPLCJOAEVEKPG-KFWWJZLASA-N 0 3 317.458 2.047 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)CCCC2CC2)ccc1F ZINC001132600667 788138423 /nfs/dbraw/zinc/13/84/23/788138423.db2.gz RMESBUFBECIDEZ-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001132662678 788158467 /nfs/dbraw/zinc/15/84/67/788158467.db2.gz ICLWBDWYCFYOBR-CVEARBPZSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001132663272 788159081 /nfs/dbraw/zinc/15/90/81/788159081.db2.gz TVCXMVCVUDHPED-HNNXBMFYSA-N 0 3 323.481 2.134 20 30 DEEDHN CCCc1[nH]ccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001132690522 788167323 /nfs/dbraw/zinc/16/73/23/788167323.db2.gz OPSLNXPNJAQTGT-UHFFFAOYSA-N 0 3 310.401 2.358 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(F)cccc1F)C2 ZINC001097747403 788215251 /nfs/dbraw/zinc/21/52/51/788215251.db2.gz WRXBJGUPELBABV-JLZZUVOBSA-N 0 3 318.367 2.252 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(F)c1)C2 ZINC001097909020 788269421 /nfs/dbraw/zinc/26/94/21/788269421.db2.gz GEZNCTSSXXBEJH-ZACQAIPSSA-N 0 3 300.377 2.493 20 30 DEEDHN C=CCCCC(=O)NCCNCC(=O)N(CC)C1CCCCC1 ZINC001133145366 788299825 /nfs/dbraw/zinc/29/98/25/788299825.db2.gz WELSMUBUIMHWRK-UHFFFAOYSA-N 0 3 323.481 2.230 20 30 DEEDHN Cc1cccc(CC(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC001133182355 788308972 /nfs/dbraw/zinc/30/89/72/788308972.db2.gz ABEAGOOEVAMSOG-UHFFFAOYSA-N 0 3 307.397 2.315 20 30 DEEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)OC ZINC001133388103 788397614 /nfs/dbraw/zinc/39/76/14/788397614.db2.gz BONNKDISFFFCSZ-INIZCTEOSA-N 0 3 322.836 2.316 20 30 DEEDHN C[C@@H](C#N)C(=O)N(CCNCCF)Cc1cccc(Cl)c1 ZINC001133392848 788400611 /nfs/dbraw/zinc/40/06/11/788400611.db2.gz PYANFDKAIVFLGP-LBPRGKRZSA-N 0 3 311.788 2.387 20 30 DEEDHN C[C@H](C[C@H](C)NCc1cc(F)ccc1C#N)NC(=O)C1CC1 ZINC001133441970 788422751 /nfs/dbraw/zinc/42/27/51/788422751.db2.gz FPDMPJZNYOCCDB-NWDGAFQWSA-N 0 3 303.381 2.480 20 30 DEEDHN C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001133723364 788577128 /nfs/dbraw/zinc/57/71/28/788577128.db2.gz VKDIPBYDQXUWMN-KBPBESRZSA-N 0 3 306.406 2.081 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3ccccc3O1)C2 ZINC001098064978 788612493 /nfs/dbraw/zinc/61/24/93/788612493.db2.gz RBFIYRRLLNSDFE-VXIBKDFQSA-N 0 3 324.424 2.125 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133909476 788668334 /nfs/dbraw/zinc/66/83/34/788668334.db2.gz MLFIRVLFHLQLFM-HUUCEWRRSA-N 0 3 315.417 2.134 20 30 DEEDHN C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)COCCC ZINC001133899986 788671087 /nfs/dbraw/zinc/67/10/87/788671087.db2.gz BSDPGZJFWRNASK-NEPJUHHUSA-N 0 3 321.259 2.195 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H](C)C[C@H](C)NCc1conc1C ZINC001134014035 788720393 /nfs/dbraw/zinc/72/03/93/788720393.db2.gz MQVUCSLJVCXHAU-KBPBESRZSA-N 0 3 323.437 2.339 20 30 DEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1conc1CC ZINC001134200070 788810427 /nfs/dbraw/zinc/81/04/27/788810427.db2.gz AJYRHALEISPLEC-ZIAGYGMSSA-N 0 3 305.422 2.413 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)CC(C)(C)O)NCc1ccccc1C#N ZINC001134234980 788818888 /nfs/dbraw/zinc/81/88/88/788818888.db2.gz LNBDSCBUBQJPEM-KBPBESRZSA-N 0 3 317.433 2.092 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2Cc3ccccc3C2)cc1 ZINC001134269599 788835408 /nfs/dbraw/zinc/83/54/08/788835408.db2.gz LCNADQAHSOUKGC-UHFFFAOYSA-N 0 3 319.408 2.179 20 30 DEEDHN Cc1nnsc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001134328974 788875523 /nfs/dbraw/zinc/87/55/23/788875523.db2.gz HZRCVJIMDWWYQY-VXGBXAGGSA-N 0 3 322.478 2.269 20 30 DEEDHN C#CCOCCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001134352957 788882128 /nfs/dbraw/zinc/88/21/28/788882128.db2.gz UZXXOXPQAHMMPO-PBZFIDODSA-N 0 3 321.248 2.218 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cncc(OC)n1 ZINC001134476179 788951486 /nfs/dbraw/zinc/95/14/86/788951486.db2.gz ODOKFRQCIXZJDP-UONOGXRCSA-N 0 3 320.437 2.214 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cncc(OC)n1 ZINC001134476178 788951689 /nfs/dbraw/zinc/95/16/89/788951689.db2.gz ODOKFRQCIXZJDP-KGLIPLIRSA-N 0 3 320.437 2.214 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(C#N)cc1)c1cccnc1 ZINC001134731148 789052815 /nfs/dbraw/zinc/05/28/15/789052815.db2.gz UHIRJNVKGAOEHF-HNNXBMFYSA-N 0 3 322.412 2.353 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)NCc2nccn2C)cc1 ZINC001135185109 789237263 /nfs/dbraw/zinc/23/72/63/789237263.db2.gz UJFHRDKXJZFVBB-GJZGRUSLSA-N 0 3 324.428 2.088 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001135224538 789247487 /nfs/dbraw/zinc/24/74/87/789247487.db2.gz FLHSAGAJRTZRBL-HOCLYGCPSA-N 0 3 316.449 2.352 20 30 DEEDHN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1snnc1C ZINC001135224587 789249193 /nfs/dbraw/zinc/24/91/93/789249193.db2.gz FYJYPXUGVTVVDW-STQMWFEESA-N 0 3 322.478 2.413 20 30 DEEDHN C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001135588846 789413224 /nfs/dbraw/zinc/41/32/24/789413224.db2.gz GAIYKNPCSLCALO-NEPJUHHUSA-N 0 3 314.389 2.008 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001071071165 789512086 /nfs/dbraw/zinc/51/20/86/789512086.db2.gz DKWYVZQKYIUFJX-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1CCCC1)C[C@@H](C)O2 ZINC001071122604 789534336 /nfs/dbraw/zinc/53/43/36/789534336.db2.gz WAIXYKFCGQEJGV-CRAIPNDOSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1cscn1)C[C@H](C)O2 ZINC001071141309 789554740 /nfs/dbraw/zinc/55/47/40/789554740.db2.gz IWCJPLNSLKHKOC-XJKSGUPXSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccncc2C)CC[C@H]1C ZINC001071507968 789749538 /nfs/dbraw/zinc/74/95/38/789749538.db2.gz FRYSDIOLYZAGDL-NVXWUHKLSA-N 0 3 301.434 2.478 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3cc[nH]c3n2)CC[C@@H]1C ZINC001071588959 789797569 /nfs/dbraw/zinc/79/75/69/789797569.db2.gz NMTWJDMNHJBLTD-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)CC[C@H]1C ZINC001071602790 789806901 /nfs/dbraw/zinc/80/69/01/789806901.db2.gz LGZIXUKFJBXGOB-CVEARBPZSA-N 0 3 324.428 2.249 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@@H]1C ZINC001071626621 789824323 /nfs/dbraw/zinc/82/43/23/789824323.db2.gz XYLYRDQRYGZCFR-WMLDXEAASA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)nn(C)c2Cl)CC[C@@H]1C ZINC001071647099 789838432 /nfs/dbraw/zinc/83/84/32/789838432.db2.gz DZLRMNJPIDWWFK-AAEUAGOBSA-N 0 3 324.856 2.080 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2c[nH]c3cnccc23)CC[C@H]1C ZINC001071766429 789909338 /nfs/dbraw/zinc/90/93/38/789909338.db2.gz VTDOWIPRJDTICU-UKRRQHHQSA-N 0 3 312.417 2.261 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn(CC)nc2C)CC[C@H]1C ZINC001071857939 789945655 /nfs/dbraw/zinc/94/56/55/789945655.db2.gz MYOUPYMNYSATAB-UKRRQHHQSA-N 0 3 304.438 2.370 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(CC)c2C)CC[C@@H]1C ZINC001071931355 789976887 /nfs/dbraw/zinc/97/68/87/789976887.db2.gz TWZTUIUIVMXJHJ-DZGCQCFKSA-N 0 3 304.438 2.370 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2c(C)nn(CC)c2C)CC[C@H]1C ZINC001071992048 790002312 /nfs/dbraw/zinc/00/23/12/790002312.db2.gz JASBOGAXXYRUOK-CJNGLKHVSA-N 0 3 318.465 2.217 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)n(C)c2C)CC[C@@H]1C ZINC001072064543 790037854 /nfs/dbraw/zinc/03/78/54/790037854.db2.gz ZXPDFJAAVNOFJU-XJKSGUPXSA-N 0 3 301.434 2.248 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2c(C)noc2C)CC[C@H]1C ZINC001072066938 790039509 /nfs/dbraw/zinc/03/95/09/790039509.db2.gz PISZIUPWGURWEO-IUODEOHRSA-N 0 3 305.422 2.379 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)CC[C@@H]1C ZINC001072068950 790039869 /nfs/dbraw/zinc/03/98/69/790039869.db2.gz DMLPKWPJYXWWRH-GJZGRUSLSA-N 0 3 316.449 2.150 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccc(F)cc3F)C2)C1 ZINC001072763032 790240712 /nfs/dbraw/zinc/24/07/12/790240712.db2.gz IMGYFFZARYOFDX-UHFFFAOYSA-N 0 3 318.367 2.065 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CCC[C@@H](OC)C3)C2)C1 ZINC001072805993 790253249 /nfs/dbraw/zinc/25/32/49/790253249.db2.gz XAECLPZHHDYRAC-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3CCC[C@@H](OC)C3)C2)C1 ZINC001072805994 790253392 /nfs/dbraw/zinc/25/33/92/790253392.db2.gz XAECLPZHHDYRAC-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001074541979 791226849 /nfs/dbraw/zinc/22/68/49/791226849.db2.gz ZQINOENKIZWEJP-WDMOLILDSA-N 0 3 323.487 2.450 20 30 DEEDHN C#CCCCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001147427896 791527865 /nfs/dbraw/zinc/52/78/65/791527865.db2.gz BNNNYMWQZMTYTG-UHFFFAOYSA-N 0 3 302.340 2.277 20 30 DEEDHN C=C(Cl)CNCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC001147450063 791550520 /nfs/dbraw/zinc/55/05/20/791550520.db2.gz XHPRMLMBAMAPFG-OAHLLOKOSA-N 0 3 309.841 2.138 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccoc3CC)C[C@]2(C)C1 ZINC001091637590 791566992 /nfs/dbraw/zinc/56/69/92/791566992.db2.gz KWDVIRYLMXCQPC-KDOFPFPSSA-N 0 3 300.402 2.259 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc3c(c1)COC3)C2 ZINC001098281658 791603325 /nfs/dbraw/zinc/60/33/25/791603325.db2.gz PCTXUIWEQQSNGY-QRVBRYPASA-N 0 3 324.424 2.004 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](n2cc(CNCC(C)C)nn2)C1 ZINC001098698040 791679585 /nfs/dbraw/zinc/67/95/85/791679585.db2.gz OVAMDPCETLDHLH-HNNXBMFYSA-N 0 3 319.453 2.009 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](n2cc(CNCC(C)C)nn2)C1 ZINC001098711957 791682538 /nfs/dbraw/zinc/68/25/38/791682538.db2.gz ZNDFBQJEPRGNEL-MRXNPFEDSA-N 0 3 319.453 2.153 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(CC)n2)C1 ZINC001098802186 791711593 /nfs/dbraw/zinc/71/15/93/791711593.db2.gz LLAZIYHMNQOVPB-GUYCJALGSA-N 0 3 303.406 2.397 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@]2(C)C1 ZINC001091703445 791722553 /nfs/dbraw/zinc/72/25/53/791722553.db2.gz BDXRZCZWWJRRSQ-MJGOQNOKSA-N 0 3 311.429 2.116 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@]2(C)C1 ZINC001091713432 791736406 /nfs/dbraw/zinc/73/64/06/791736406.db2.gz XSKHPCQEADWWDK-ACJLOTCBSA-N 0 3 311.385 2.178 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4cc(C)cn4c3)C[C@]2(C)C1 ZINC001091724654 791764409 /nfs/dbraw/zinc/76/44/09/791764409.db2.gz INZOUQAJQUZXEL-XLIONFOSSA-N 0 3 321.424 2.275 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001086889885 791838120 /nfs/dbraw/zinc/83/81/20/791838120.db2.gz VMLFUOBXZZSQEX-QWHCGFSZSA-N 0 3 324.856 2.223 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cccn3C)C2)CC1 ZINC001086904105 791843225 /nfs/dbraw/zinc/84/32/25/791843225.db2.gz XHHLNMMHMISTQP-INIZCTEOSA-N 0 3 313.445 2.365 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)COC3CCCC3)C2)CC1 ZINC001086906297 791844555 /nfs/dbraw/zinc/84/45/55/791844555.db2.gz ULUFFDOCPAQTLV-MRXNPFEDSA-N 0 3 318.461 2.282 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cncs3)C2)CC1 ZINC001086907941 791846212 /nfs/dbraw/zinc/84/62/12/791846212.db2.gz IUXKNHOTZNUUQA-AWEZNQCLSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCOC3)C2)CC1 ZINC001086913962 791849287 /nfs/dbraw/zinc/84/92/87/791849287.db2.gz BWRZRUUJCUKBDV-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)/C=C\c3ccc[nH]3)C2)CC1 ZINC001086919507 791851918 /nfs/dbraw/zinc/85/19/18/791851918.db2.gz QJSGRMWJHZMAMT-WLMCBFPDSA-N 0 3 311.429 2.364 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C[C@]2(C)C1 ZINC001091868808 791896887 /nfs/dbraw/zinc/89/68/87/791896887.db2.gz WJRYCKHPXWCJQI-YXYSEUPNSA-N 0 3 322.452 2.378 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3csc(C4CC4)n3)C[C@]2(C)C1 ZINC001092316150 791977982 /nfs/dbraw/zinc/97/79/82/791977982.db2.gz VNZINFAQPNQGGQ-DYVFJYSZSA-N 0 3 315.442 2.048 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(C)C)on2)C1 ZINC001098964794 792005631 /nfs/dbraw/zinc/00/56/31/792005631.db2.gz QYYIRJGBQBHONL-KSSFIOAISA-N 0 3 315.417 2.406 20 30 DEEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)c1ccc[nH]1 ZINC001092463191 792034963 /nfs/dbraw/zinc/03/49/63/792034963.db2.gz KLVDHBCSUXIIBM-SJLPKXTDSA-N 0 3 321.424 2.364 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@](C)(O)C1CC1 ZINC001099023714 792043050 /nfs/dbraw/zinc/04/30/50/792043050.db2.gz RJYQUHGALWRYDB-QAPCUYQASA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3c2OCC3)C1 ZINC001099043629 792055526 /nfs/dbraw/zinc/05/55/26/792055526.db2.gz LJZKHDPKLNCVHX-KXBFYZLASA-N 0 3 312.413 2.392 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001099044934 792057556 /nfs/dbraw/zinc/05/75/56/792057556.db2.gz XDAFUCMHXRWSAV-LPHOPBHVSA-N 0 3 312.413 2.392 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(COC)CCC1 ZINC001099139786 792112889 /nfs/dbraw/zinc/11/28/89/792112889.db2.gz HPGWHNCBFCRDAO-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnc(-c3ccccc3)o2)[C@H](C)C1 ZINC001092703788 792114962 /nfs/dbraw/zinc/11/49/62/792114962.db2.gz RTBUYSSVCMPFEU-GDBMZVCRSA-N 0 3 323.396 2.273 20 30 DEEDHN C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC)c1ccccc1 ZINC001110136642 792137248 /nfs/dbraw/zinc/13/72/48/792137248.db2.gz KEMGBXWOBGLHMI-BDXSIMOUSA-N 0 3 314.429 2.324 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1C(F)(F)F ZINC001099216399 792141677 /nfs/dbraw/zinc/14/16/77/792141677.db2.gz GFCAQBHSAHPHNJ-HBNTYKKESA-N 0 3 310.385 2.293 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1C(F)(F)F ZINC001099231201 792145787 /nfs/dbraw/zinc/14/57/87/792145787.db2.gz YQMCPGGCIHHZQR-CHWSQXEVSA-N 0 3 313.323 2.169 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2c(F)ccc(C)c2F)[C@H](C)C1 ZINC001092936016 792180766 /nfs/dbraw/zinc/18/07/66/792180766.db2.gz PZMXGDXXBMYWPA-CHWSQXEVSA-N 0 3 306.356 2.204 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(OC)cc2Cl)[C@H](C)C1 ZINC001093058118 792220733 /nfs/dbraw/zinc/22/07/33/792220733.db2.gz MCFMUKLTGAFRCD-CHWSQXEVSA-N 0 3 320.820 2.280 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CC2)CC2(CCOCC2)C1 ZINC001099592613 792256519 /nfs/dbraw/zinc/25/65/19/792256519.db2.gz FZWLBYJUYQXQEZ-INIZCTEOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3[nH]ccc3s2)[C@H](C)C1 ZINC001093161786 792270056 /nfs/dbraw/zinc/27/00/56/792270056.db2.gz YMKLKLFPUCVBJG-VXGBXAGGSA-N 0 3 301.415 2.160 20 30 DEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC001093353621 792336518 /nfs/dbraw/zinc/33/65/18/792336518.db2.gz VDPHFSWMNBSHSV-SFHVURJKSA-N 0 3 323.440 2.422 20 30 DEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CSC)CC1 ZINC001093355295 792337688 /nfs/dbraw/zinc/33/76/88/792337688.db2.gz KMYWPNFQPSAYDN-MRXNPFEDSA-N 0 3 306.475 2.076 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099856134 792383818 /nfs/dbraw/zinc/38/38/18/792383818.db2.gz SBSBELZYDCSSLR-IRXDYDNUSA-N 0 3 306.450 2.395 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099856445 792384603 /nfs/dbraw/zinc/38/46/03/792384603.db2.gz XCUFBRASJZYHRO-IAGOWNOFSA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@H]1O ZINC001099974150 792426377 /nfs/dbraw/zinc/42/63/77/792426377.db2.gz NVBOTAFPUGJQIZ-QZTJIDSGSA-N 0 3 316.445 2.137 20 30 DEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001149763545 792492521 /nfs/dbraw/zinc/49/25/21/792492521.db2.gz KEIQYPZEVJDDRE-MRXNPFEDSA-N 0 3 312.429 2.322 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CCOC)CC2)C1 ZINC001100393828 792625708 /nfs/dbraw/zinc/62/57/08/792625708.db2.gz WOCJIPIGTHZLHO-UHFFFAOYSA-N 0 3 300.830 2.040 20 30 DEEDHN CC[C@@H](F)C(=O)NCC1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001100580782 792731100 /nfs/dbraw/zinc/73/11/00/792731100.db2.gz ZQYMPUDGRCQKDC-BDVYOWHSSA-N 0 3 320.383 2.410 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2cc(OC)ns2)C1 ZINC001100623679 792754882 /nfs/dbraw/zinc/75/48/82/792754882.db2.gz ZTIZFRWFEQDGKY-UHFFFAOYSA-N 0 3 323.462 2.492 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3c(C)cncc3C)CCC[C@@H]12 ZINC001094468801 792922268 /nfs/dbraw/zinc/92/22/68/792922268.db2.gz URZISHXRDPJDHZ-VQIMIIECSA-N 0 3 311.429 2.306 20 30 DEEDHN CC(C)N(C)CC(=O)NCC1(Nc2cccc(F)c2C#N)CC1 ZINC001110158801 792953122 /nfs/dbraw/zinc/95/31/22/792953122.db2.gz QZISVQFKFGLPPM-UHFFFAOYSA-N 0 3 318.396 2.098 20 30 DEEDHN CC(C)[C@H](C(=O)NCCCNc1cccc(F)c1C#N)N(C)C ZINC001094514433 792958753 /nfs/dbraw/zinc/95/87/53/792958753.db2.gz HVNUOOXVGRQILB-MRXNPFEDSA-N 0 3 320.412 2.202 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1)OCC ZINC001101257218 793088025 /nfs/dbraw/zinc/08/80/25/793088025.db2.gz LARKGMGUBYKADK-LMMKCTJWSA-N 0 3 318.461 2.161 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101337531 793125109 /nfs/dbraw/zinc/12/51/09/793125109.db2.gz CIQAXLOJGREVGD-LMMKCTJWSA-N 0 3 318.461 2.019 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)C(F)(F)F)C[C@]2(C)C1 ZINC001101348683 793130186 /nfs/dbraw/zinc/13/01/86/793130186.db2.gz DQBKHNDIUQOXKQ-NFAWXSAZSA-N 0 3 316.367 2.379 20 30 DEEDHN COc1ccccc1C(=O)NCCCNCc1ccccc1C#N ZINC001171826373 793210379 /nfs/dbraw/zinc/21/03/79/793210379.db2.gz TXHXBHLUVFFBLL-UHFFFAOYSA-N 0 3 323.396 2.477 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC001172304919 793392828 /nfs/dbraw/zinc/39/28/28/793392828.db2.gz BJMKCMBVUZXQPD-VQIMIIECSA-N 0 3 313.445 2.286 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102092310 793501877 /nfs/dbraw/zinc/50/18/77/793501877.db2.gz PTEHVXHSWILAAM-BZUAXINKSA-N 0 3 308.466 2.003 20 30 DEEDHN C[C@@H](N)c1ccn([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172975842 793548527 /nfs/dbraw/zinc/54/85/27/793548527.db2.gz KEGRAFPOQJMRNB-AGIUHOORSA-N 0 3 319.409 2.367 20 30 DEEDHN COCC#CCN1C[C@@H](CNC(=O)c2csc(C)c2)[C@H](C)C1 ZINC001102463804 793622976 /nfs/dbraw/zinc/62/29/76/793622976.db2.gz FOHCPJZGZGRVHE-CZUORRHYSA-N 0 3 320.458 2.004 20 30 DEEDHN N#CCC1CCC(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)CC1 ZINC001173335359 793681895 /nfs/dbraw/zinc/68/18/95/793681895.db2.gz JBDWDODAVMHTKK-QKEFKNMBSA-N 0 3 303.450 2.254 20 30 DEEDHN C=CCOC1CCC(N2CCOC[C@](O)(C(F)(F)F)C2)CC1 ZINC001173320358 793691927 /nfs/dbraw/zinc/69/19/27/793691927.db2.gz HBSKEDIQOYBZBB-RUXDESIVSA-N 0 3 323.355 2.126 20 30 DEEDHN C[C@H](N)c1nccn1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421421 793724876 /nfs/dbraw/zinc/72/48/76/793724876.db2.gz UYXUBBKIEDOJAN-ZDUSSCGKSA-N 0 3 323.400 2.252 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001102872452 793798590 /nfs/dbraw/zinc/79/85/90/793798590.db2.gz IILNAWKRTOUFAY-DGCLKSJQSA-N 0 3 320.824 2.327 20 30 DEEDHN C=C(C)CCC(=O)NCC[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1C ZINC001103040387 793906092 /nfs/dbraw/zinc/90/60/92/793906092.db2.gz TVXMPXCZEPKXHD-UKRRQHHQSA-N 0 3 319.453 2.044 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)Cc2ccsc2C)C1 ZINC001150410889 794089355 /nfs/dbraw/zinc/08/93/55/794089355.db2.gz RZJBZQFJXHEDLF-MRXNPFEDSA-N 0 3 322.474 2.382 20 30 DEEDHN C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001174874632 794091903 /nfs/dbraw/zinc/09/19/03/794091903.db2.gz RWIJJHOTXKGHMN-CYBMUJFWSA-N 0 3 320.437 2.335 20 30 DEEDHN CCN1CCN(c2ccc(Nc3cnc(C#N)nc3)cc2)CC1 ZINC001175783511 794287373 /nfs/dbraw/zinc/28/73/73/794287373.db2.gz MDLAMRZLSQYDNY-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001103899446 794291518 /nfs/dbraw/zinc/29/15/18/794291518.db2.gz OASQLLCHSAHQHU-DGCLKSJQSA-N 0 3 315.870 2.070 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001176643636 794466404 /nfs/dbraw/zinc/46/64/04/794466404.db2.gz DZQOESDMCHKRGW-INIZCTEOSA-N 0 3 322.836 2.455 20 30 DEEDHN Cc1nocc1CNCCCNC(=O)CC#Cc1ccccc1 ZINC001176768322 794501736 /nfs/dbraw/zinc/50/17/36/794501736.db2.gz RPBRODIPGIJTGQ-UHFFFAOYSA-N 0 3 311.385 2.021 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1c(C)cc(C)cc1C ZINC001115207787 794704611 /nfs/dbraw/zinc/70/46/11/794704611.db2.gz YKASOVWGZOOTBB-VQFNDLOPSA-N 0 3 314.429 2.223 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001177638302 794717974 /nfs/dbraw/zinc/71/79/74/794717974.db2.gz UATSHTMPSJBVLI-AWEZNQCLSA-N 0 3 308.809 2.147 20 30 DEEDHN O=C(C#Cc1ccccn1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001177807159 794756473 /nfs/dbraw/zinc/75/64/73/794756473.db2.gz JPSFGEPOOJCRBD-IBGZPJMESA-N 0 3 319.408 2.214 20 30 DEEDHN Cc1cc(CNCCCCCCNC(=O)CSCC#N)on1 ZINC001177902496 794772131 /nfs/dbraw/zinc/77/21/31/794772131.db2.gz YODHXIRNRAWUFH-UHFFFAOYSA-N 0 3 324.450 2.006 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CCCC1 ZINC001110214289 794774693 /nfs/dbraw/zinc/77/46/93/794774693.db2.gz CHAWYNCMFCNHJI-PMPSAXMXSA-N 0 3 306.450 2.227 20 30 DEEDHN C[C@@H](C#N)C(=O)NCCCCCCNCc1ccccc1C#N ZINC001178053434 794807296 /nfs/dbraw/zinc/80/72/96/794807296.db2.gz ROQKWCGGHRJKPW-HNNXBMFYSA-N 0 3 312.417 2.484 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@]2(F)CCOC2)CCCCC1 ZINC001115691413 794880507 /nfs/dbraw/zinc/88/05/07/794880507.db2.gz XEBJVUHLCYKOMH-HNNXBMFYSA-N 0 3 318.820 2.276 20 30 DEEDHN C#CCCCC(=O)NCCCCCCNCc1ccn(CC)n1 ZINC001178331890 794890196 /nfs/dbraw/zinc/89/01/96/794890196.db2.gz XUXHONQBZOIQIA-UHFFFAOYSA-N 0 3 318.465 2.473 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCCCCCNCc1cnc(C)o1 ZINC001178335254 794891683 /nfs/dbraw/zinc/89/16/83/794891683.db2.gz USDRXLFHCQVORU-KRWDZBQOSA-N 0 3 323.437 2.076 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NCCCC)[C@@H]1C ZINC001178805601 795000370 /nfs/dbraw/zinc/00/03/70/795000370.db2.gz HOHSHJBAKYEIDO-PMPSAXMXSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(C)=C(C)C)[C@H]1C ZINC001179332268 795101481 /nfs/dbraw/zinc/10/14/81/795101481.db2.gz JPCBHTOVNKHTJY-JYJNAYRXSA-N 0 3 321.465 2.003 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cnc(C)nc2)[C@@H]1C ZINC001179384247 795110425 /nfs/dbraw/zinc/11/04/25/795110425.db2.gz HTOZBGJNQPJXHA-LXZKKBNFSA-N 0 3 316.449 2.466 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCC(=O)N(CC)CC)[C@@H]1C ZINC001179384221 795110579 /nfs/dbraw/zinc/11/05/79/795110579.db2.gz GYPVSNQDWKKLOD-JYJNAYRXSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCC(=O)N(CC)CC)[C@@H]1C ZINC001179384222 795110851 /nfs/dbraw/zinc/11/08/51/795110851.db2.gz GYPVSNQDWKKLOD-XHSDSOJGSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)C(C)(C)F)CC1 ZINC001150877066 795160995 /nfs/dbraw/zinc/16/09/95/795160995.db2.gz ZWEHTYKEXBLGQE-UHFFFAOYSA-N 0 3 300.418 2.298 20 30 DEEDHN COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)C(C)C#N ZINC001179894690 795191837 /nfs/dbraw/zinc/19/18/37/795191837.db2.gz CQVBSZYJXWOSJO-NUEKZKHPSA-N 0 3 314.385 2.484 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccs1)C2 ZINC001110238208 795326751 /nfs/dbraw/zinc/32/67/51/795326751.db2.gz WRSNFDXTDXYNIL-BMFZPTHFSA-N 0 3 320.458 2.215 20 30 DEEDHN Cc1csc(CNC[C@]2(C)CN(C(=O)[C@H](C)C#N)C[C@H]2C)n1 ZINC001180914845 795388570 /nfs/dbraw/zinc/38/85/70/795388570.db2.gz WDIQRTGCUSGRRU-XHBSWPGZSA-N 0 3 320.462 2.185 20 30 DEEDHN CCCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC001181006405 795404484 /nfs/dbraw/zinc/40/44/84/795404484.db2.gz NFAUNPMMIRULPI-MRXNPFEDSA-N 0 3 315.417 2.448 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC1(CCOC)CCN(CC=C)CC1 ZINC001151021326 795443180 /nfs/dbraw/zinc/44/31/80/795443180.db2.gz PXGNUHMIKWRIFU-MRXNPFEDSA-N 0 3 324.465 2.141 20 30 DEEDHN CCOC[C@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001120505245 795474171 /nfs/dbraw/zinc/47/41/71/795474171.db2.gz YSIIEEAZGDWFJI-CQSZACIVSA-N 0 3 301.308 2.044 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cncc(C)c2)CC1 ZINC001151042773 795480773 /nfs/dbraw/zinc/48/07/73/795480773.db2.gz SGPOYFHPYSPFBZ-UHFFFAOYSA-N 0 3 317.433 2.177 20 30 DEEDHN Cc1ncoc1CNC1CC2(C1)CC(NC(=O)C#CC(C)C)C2 ZINC001121081724 795587882 /nfs/dbraw/zinc/58/78/82/795587882.db2.gz QRDQJTLAPQHHFV-UHFFFAOYSA-N 0 3 315.417 2.159 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)C1 ZINC001182372204 795661898 /nfs/dbraw/zinc/66/18/98/795661898.db2.gz KNNNLXOJKAYYFN-CQSZACIVSA-N 0 3 305.809 2.085 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1 ZINC001121858600 795696643 /nfs/dbraw/zinc/69/66/43/795696643.db2.gz UJPJNMDRHAAARW-GJZGRUSLSA-N 0 3 322.380 2.230 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(CC(=O)OC)c(F)c1 ZINC001122076910 795724012 /nfs/dbraw/zinc/72/40/12/795724012.db2.gz ZNMALRUDQYYGTI-AWEZNQCLSA-N 0 3 308.353 2.163 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H](C)CCOC)C2 ZINC001122219676 795737439 /nfs/dbraw/zinc/73/74/39/795737439.db2.gz IXGZDCYOFSJPCU-VBTSJIPESA-N 0 3 314.857 2.429 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1coc2c1ccc(F)c2F ZINC001122452952 795759817 /nfs/dbraw/zinc/75/98/17/795759817.db2.gz STGHGVFTQWWETC-LLVKDONJSA-N 0 3 320.295 2.487 20 30 DEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001122451991 795759829 /nfs/dbraw/zinc/75/98/29/795759829.db2.gz GYSULKOZERTTQV-BZPMIXESSA-N 0 3 316.357 2.158 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@H](NC/C=C\Cl)C1)OCC ZINC001182973430 795791660 /nfs/dbraw/zinc/79/16/60/795791660.db2.gz KIZPBNCTTYPPBU-KMVAXQJASA-N 0 3 300.830 2.301 20 30 DEEDHN C=C(CN1CCCC1)C(=O)N(C)CCC(=O)c1cccs1 ZINC001183045030 795794711 /nfs/dbraw/zinc/79/47/11/795794711.db2.gz QUJCPHVNALOFAK-UHFFFAOYSA-N 0 3 306.431 2.431 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001110340564 795932695 /nfs/dbraw/zinc/93/26/95/795932695.db2.gz QAMRQHZGMPOFHF-UKHAXTBBSA-N 0 3 304.434 2.267 20 30 DEEDHN Cc1ncoc1CNC[C@H]1CCN(C(=O)C#CC(C)C)C[C@@H]1C ZINC001184371869 796056871 /nfs/dbraw/zinc/05/68/71/796056871.db2.gz POZPXJVBTYIEMF-GOEBONIOSA-N 0 3 317.433 2.217 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3(CCF)CC3)C2)s1 ZINC001184536208 796077405 /nfs/dbraw/zinc/07/74/05/796077405.db2.gz KAXDEHHZUHRSKW-GFCCVEGCSA-N 0 3 321.421 2.450 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001184814810 796132211 /nfs/dbraw/zinc/13/22/11/796132211.db2.gz DHOJBZOCPRSIFY-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001185056514 796171188 /nfs/dbraw/zinc/17/11/88/796171188.db2.gz ORFFMULYPJMESE-CZUORRHYSA-N 0 3 304.438 2.021 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ncccc1[O-])C2 ZINC001138390684 796210234 /nfs/dbraw/zinc/21/02/34/796210234.db2.gz DXHWDKILWFMXBA-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ncccc1[O-])C2 ZINC001138390684 796210240 /nfs/dbraw/zinc/21/02/40/796210240.db2.gz DXHWDKILWFMXBA-SFHVURJKSA-N 0 3 315.417 2.320 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)cc2OC)C1 ZINC001185213182 796214392 /nfs/dbraw/zinc/21/43/92/796214392.db2.gz HYTZHHVFKRSUSJ-CYBMUJFWSA-N 0 3 306.793 2.176 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001185256537 796223383 /nfs/dbraw/zinc/22/33/83/796223383.db2.gz IKWVLMZTVPOIQB-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC001185354039 796237993 /nfs/dbraw/zinc/23/79/93/796237993.db2.gz ZELJOUUVLVKIOT-OAHLLOKOSA-N 0 3 320.820 2.102 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001185866120 796329356 /nfs/dbraw/zinc/32/93/56/796329356.db2.gz KUYXBLRNLDPTMC-HZPDHXFCSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001186129338 796365103 /nfs/dbraw/zinc/36/51/03/796365103.db2.gz GMKAPTXJHZXZQZ-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C[C@@]1(O)COCCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402407 796370772 /nfs/dbraw/zinc/37/07/72/796370772.db2.gz QIMQVWJMBRTCIS-IBGZPJMESA-N 0 3 323.396 2.203 20 30 DEEDHN CCN(CCC(N)=O)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425547 796374323 /nfs/dbraw/zinc/37/43/23/796374323.db2.gz RHJTXQDKKYEDPU-UHFFFAOYSA-N 0 3 324.384 2.443 20 30 DEEDHN Cc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1C#N ZINC001139725610 796417213 /nfs/dbraw/zinc/41/72/13/796417213.db2.gz VTZAIFYCAGVCHQ-ROUUACIJSA-N 0 3 319.412 2.225 20 30 DEEDHN COCCCCN1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727375 796417765 /nfs/dbraw/zinc/41/77/65/796417765.db2.gz OVGDLGNEZZJECF-UHFFFAOYSA-N 0 3 301.434 2.411 20 30 DEEDHN COC(=O)COc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001139777040 796427092 /nfs/dbraw/zinc/42/70/92/796427092.db2.gz BKZPWMQWQARDIX-AWEZNQCLSA-N 0 3 302.374 2.364 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001110390515 796494609 /nfs/dbraw/zinc/49/46/09/796494609.db2.gz QSFIESFTZGRZPZ-BMFZPTHFSA-N 0 3 320.458 2.215 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC001187421266 796534703 /nfs/dbraw/zinc/53/47/03/796534703.db2.gz ZWYIBXVBBODBRY-QGZVFWFLSA-N 0 3 318.461 2.187 20 30 DEEDHN N#Cc1ccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC001140542624 796536896 /nfs/dbraw/zinc/53/68/96/796536896.db2.gz CJISPHNSVZAHHC-GOSISDBHSA-N 0 3 304.353 2.049 20 30 DEEDHN CCCCC[C@H](CC)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001188024293 796618821 /nfs/dbraw/zinc/61/88/21/796618821.db2.gz BXZPGMKMGJFYBG-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001188164649 796634872 /nfs/dbraw/zinc/63/48/72/796634872.db2.gz AHNWVLFHJPLHHE-GOEBONIOSA-N 0 3 300.402 2.013 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001188844935 796732241 /nfs/dbraw/zinc/73/22/41/796732241.db2.gz NEGNBOAMZBZNHR-ZDUSSCGKSA-N 0 3 311.813 2.017 20 30 DEEDHN CCO[C@@H]1C[C@H]2CN(Cc3c(F)ccc(C#N)c3F)CCN2C1 ZINC001143169706 796806844 /nfs/dbraw/zinc/80/68/44/796806844.db2.gz ORIKMHRBNFKOBZ-UONOGXRCSA-N 0 3 321.371 2.131 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001189380553 796815377 /nfs/dbraw/zinc/81/53/77/796815377.db2.gz QEHNBVUBQXZVLY-QGZVFWFLSA-N 0 3 320.408 2.369 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001149672340 796883786 /nfs/dbraw/zinc/88/37/86/796883786.db2.gz AMXCMJQUZHHPNX-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](CC)CC(F)F)C1 ZINC001149835613 796899226 /nfs/dbraw/zinc/89/92/26/796899226.db2.gz LMRWTDVGEDLEDG-UONOGXRCSA-N 0 3 318.408 2.451 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001189910850 796901151 /nfs/dbraw/zinc/90/11/51/796901151.db2.gz UNPBLMUJWTWSCT-SFHVURJKSA-N 0 3 309.413 2.394 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001150212999 796929225 /nfs/dbraw/zinc/92/92/25/796929225.db2.gz VFCJGIDBFSJFMX-QWHCGFSZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001150416293 796941486 /nfs/dbraw/zinc/94/14/86/796941486.db2.gz AXPXUQLBYNEDEF-HOTGVXAUSA-N 0 3 320.433 2.475 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2cccc(C#N)c2)c(C)n1C ZINC001150492140 796946799 /nfs/dbraw/zinc/94/67/99/796946799.db2.gz OMVQPTQLPCOZPK-UHFFFAOYSA-N 0 3 310.401 2.033 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCOc3ccccc3C)[C@@H]2C1 ZINC001190157224 796948581 /nfs/dbraw/zinc/94/85/81/796948581.db2.gz CEODNALOQKRSMI-DLBZAZTESA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCOc3ccccc3)[C@@H]2C1 ZINC001190158073 796949097 /nfs/dbraw/zinc/94/90/97/796949097.db2.gz WOZDFEGJGPZARZ-DOTOQJQBSA-N 0 3 300.402 2.174 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)CCOCC)C1 ZINC001190355285 796986356 /nfs/dbraw/zinc/98/63/56/796986356.db2.gz XWPOYYSAJNMBEJ-CYBMUJFWSA-N 0 3 302.846 2.334 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2cc(C)sn2)CC1 ZINC001151096049 797010686 /nfs/dbraw/zinc/01/06/86/797010686.db2.gz VJDXNOBVSUWODV-UHFFFAOYSA-N 0 3 323.462 2.238 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)C2(F)CCCC2)CC1 ZINC001151187671 797018320 /nfs/dbraw/zinc/01/83/20/797018320.db2.gz VZMSOXTZBCVZFO-UHFFFAOYSA-N 0 3 312.429 2.442 20 30 DEEDHN CCn1cccc1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001151189782 797019049 /nfs/dbraw/zinc/01/90/49/797019049.db2.gz DOZPMMHTMUVACP-UHFFFAOYSA-N 0 3 314.364 2.038 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)CCCC#CC)CC1 ZINC001151259607 797028186 /nfs/dbraw/zinc/02/81/86/797028186.db2.gz WZGHAQDBQSLIHV-UHFFFAOYSA-N 0 3 306.450 2.353 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2conc2C(C)C)C1 ZINC001190634434 797047006 /nfs/dbraw/zinc/04/70/06/797047006.db2.gz GKOIUULLNGMUJN-AWEZNQCLSA-N 0 3 321.421 2.147 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)CCCn2cccc2)cc1 ZINC001152026447 797135008 /nfs/dbraw/zinc/13/50/08/797135008.db2.gz KQHRPTGGKBHUAI-UHFFFAOYSA-N 0 3 310.401 2.046 20 30 DEEDHN C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](C(C)C)C2)c1 ZINC001191541241 797219140 /nfs/dbraw/zinc/21/91/40/797219140.db2.gz PWOYGGMQVOGPSJ-OAHLLOKOSA-N 0 3 313.401 2.294 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1ccsc1 ZINC001153090940 797283173 /nfs/dbraw/zinc/28/31/73/797283173.db2.gz TWYAWAIUALHDMV-CZUORRHYSA-N 0 3 310.463 2.402 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001153107537 797285744 /nfs/dbraw/zinc/28/57/44/797285744.db2.gz PKNUQFOTYLYMQK-LSDHHAIUSA-N 0 3 321.446 2.031 20 30 DEEDHN C=CCO[C@@H](C)C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001153134292 797290194 /nfs/dbraw/zinc/29/01/94/797290194.db2.gz BGFGIBPCYMGKBT-HNNXBMFYSA-N 0 3 319.449 2.310 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001192256525 797344428 /nfs/dbraw/zinc/34/44/28/797344428.db2.gz DTMSIOQVGJUXFL-IAGOWNOFSA-N 0 3 320.433 2.038 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 ZINC001192313100 797359776 /nfs/dbraw/zinc/35/97/76/797359776.db2.gz NXOZHJUEIZKSLF-RRFJBIMHSA-N 0 3 316.511 2.260 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001153768952 797390561 /nfs/dbraw/zinc/39/05/61/797390561.db2.gz KYJGYXWAYINCPQ-RDTXWAMCSA-N 0 3 314.429 2.185 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1nc2c(s1)CCC2 ZINC001154336266 797515866 /nfs/dbraw/zinc/51/58/66/797515866.db2.gz DRODLHYZARTYTD-GFCCVEGCSA-N 0 3 305.447 2.095 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCOc2ccccc2OC)C1 ZINC001193847003 797637981 /nfs/dbraw/zinc/63/79/81/797637981.db2.gz USFPZWPHDHFPSE-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001155175473 797701598 /nfs/dbraw/zinc/70/15/98/797701598.db2.gz XESIFQTUCXNMDS-OLZOCXBDSA-N 0 3 324.856 2.409 20 30 DEEDHN CCc1nc(C#N)c(C#N)nc1-n1c2ccccc2nc1[C@@H](C)N ZINC001155257342 797718793 /nfs/dbraw/zinc/71/87/93/797718793.db2.gz ZORSEDYZSLKTMT-SNVBAGLBSA-N 0 3 317.356 2.141 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001194397112 797721666 /nfs/dbraw/zinc/72/16/66/797721666.db2.gz OXEYULHXLZGFIZ-YOEHRIQHSA-N 0 3 320.408 2.450 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001194468767 797729161 /nfs/dbraw/zinc/72/91/61/797729161.db2.gz QCBZRAJKVZLFGA-BPLDGKMQSA-N 0 3 322.474 2.440 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c(CC)ncnc1CC ZINC001155313640 797731218 /nfs/dbraw/zinc/73/12/18/797731218.db2.gz ADJZLEDJHCGFQB-CQSZACIVSA-N 0 3 316.449 2.065 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)CCN1CCCC1=O ZINC001155484161 797769242 /nfs/dbraw/zinc/76/92/42/797769242.db2.gz CBXLCYBNAWZSPT-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(-c2cncn2C)c1 ZINC001194927630 797798273 /nfs/dbraw/zinc/79/82/73/797798273.db2.gz UFUKDFKCOMPOAQ-KRWDZBQOSA-N 0 3 324.428 2.467 20 30 DEEDHN C=CCCC(=O)NCCCNCC(=O)Nc1ccc(C)cc1F ZINC001155593192 797798814 /nfs/dbraw/zinc/79/88/14/797798814.db2.gz BHYWUTNWUONUHT-UHFFFAOYSA-N 0 3 321.396 2.135 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001155644485 797814608 /nfs/dbraw/zinc/81/46/08/797814608.db2.gz CARDSEXAPMQWCK-GFCCVEGCSA-N 0 3 308.809 2.422 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COc1ccsc1Cl ZINC001155776392 797845047 /nfs/dbraw/zinc/84/50/47/797845047.db2.gz KELKFDCYNXVKOH-LLVKDONJSA-N 0 3 314.838 2.240 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCNCc1nc(C(C)(C)C)cs1 ZINC001155847981 797865837 /nfs/dbraw/zinc/86/58/37/797865837.db2.gz FRCUAWAIBJHZAQ-LLVKDONJSA-N 0 3 308.451 2.196 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1O ZINC001195484165 797912709 /nfs/dbraw/zinc/91/27/09/797912709.db2.gz RJJWSRNZVWKBHZ-IAGOWNOFSA-N 0 3 308.466 2.312 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(=C)C)C1 ZINC001195531099 797922081 /nfs/dbraw/zinc/92/20/81/797922081.db2.gz BJDUHEKVSCANNV-GVDBMIGSSA-N 0 3 308.466 2.496 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001156125830 797929768 /nfs/dbraw/zinc/92/97/68/797929768.db2.gz NNCDLZUGNDEAML-ZIAGYGMSSA-N 0 3 317.433 2.263 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001156162615 797936030 /nfs/dbraw/zinc/93/60/30/797936030.db2.gz WABPRPWKARLNIL-CQSZACIVSA-N 0 3 310.401 2.150 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001195807439 797966835 /nfs/dbraw/zinc/96/68/35/797966835.db2.gz VBFLTZXVPQJGOU-QGZVFWFLSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@H](OCC)C2=CCCC2)CC1 ZINC001195853770 797969421 /nfs/dbraw/zinc/96/94/21/797969421.db2.gz OGEQHYADESULIV-SFHVURJKSA-N 0 3 318.461 2.450 20 30 DEEDHN C=CCCC1(C(=O)N[C@@H]2CN(CCCCCC)C[C@H]2O)CC1 ZINC001195923773 797983040 /nfs/dbraw/zinc/98/30/40/797983040.db2.gz LNPFZFPRJCWZCZ-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN CC1CC(C(=O)NCCCNCc2ccc(C#N)cc2F)C1 ZINC001156406412 797994731 /nfs/dbraw/zinc/99/47/31/797994731.db2.gz TURNUPKIGQOFRZ-UHFFFAOYSA-N 0 3 303.381 2.339 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCCCCCC)C[C@H]2O)C1 ZINC001196020329 797995299 /nfs/dbraw/zinc/99/52/99/797995299.db2.gz MEWKRWNKBBLXBX-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 ZINC001196075549 798002457 /nfs/dbraw/zinc/00/24/57/798002457.db2.gz NUCKHUYIYRFGKJ-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN CN1CCC[C@H]2CN(C(=O)c3cc4cc(C#N)ccc4[nH]3)C[C@@H]21 ZINC001156456938 798004226 /nfs/dbraw/zinc/00/42/26/798004226.db2.gz LOYDJRAJCILSDP-GUYCJALGSA-N 0 3 308.385 2.206 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001196333439 798040458 /nfs/dbraw/zinc/04/04/58/798040458.db2.gz JUYJWCUJXAQYRZ-GVDBMIGSSA-N 0 3 308.466 2.496 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)C(C)(C)C(C)(F)F ZINC001156629650 798046281 /nfs/dbraw/zinc/04/62/81/798046281.db2.gz PQLRGODYWUHJSO-CYBMUJFWSA-N 0 3 318.408 2.144 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001196446243 798054895 /nfs/dbraw/zinc/05/48/95/798054895.db2.gz PHWNUVJAAGDTJK-BZUAXINKSA-N 0 3 306.450 2.084 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(OC)c(OC)c1 ZINC001156694837 798063974 /nfs/dbraw/zinc/06/39/74/798063974.db2.gz XAHKHLNZQNNLBY-CQSZACIVSA-N 0 3 318.417 2.167 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1cccc(CC)c1 ZINC001156787765 798082609 /nfs/dbraw/zinc/08/26/09/798082609.db2.gz QULKEPGDFWDVBK-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN C#CCCCCC(=O)NCCCNCc1c(C)noc1CC ZINC001156828075 798089192 /nfs/dbraw/zinc/08/91/92/798089192.db2.gz VJXAUKVJSUYHLR-UHFFFAOYSA-N 0 3 305.422 2.335 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](F)Cc1ccccc1 ZINC001157052697 798133852 /nfs/dbraw/zinc/13/38/52/798133852.db2.gz AAKNZKSTRRHKSI-NVXWUHKLSA-N 0 3 304.409 2.417 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001196993062 798134507 /nfs/dbraw/zinc/13/45/07/798134507.db2.gz PCKHIMZUKPOABP-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001197010459 798135943 /nfs/dbraw/zinc/13/59/43/798135943.db2.gz SKNJZYAJYPZNLS-IAOVAPTHSA-N 0 3 320.408 2.057 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001197195518 798160110 /nfs/dbraw/zinc/16/01/10/798160110.db2.gz DXELUFZFQVRHFK-CVEARBPZSA-N 0 3 312.429 2.252 20 30 DEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001197859779 798247945 /nfs/dbraw/zinc/24/79/45/798247945.db2.gz POPVXIWFGJRQHX-JHJVBQTASA-N 0 3 322.371 2.093 20 30 DEEDHN O=C(C#CC1CC1)NCCCNCc1cccc(F)c1Cl ZINC001157682814 798257137 /nfs/dbraw/zinc/25/71/37/798257137.db2.gz RCFSKORGDCQRGW-UHFFFAOYSA-N 0 3 308.784 2.488 20 30 DEEDHN CCC(CC)n1ccc(CNCCCNC(=O)C#CC2CC2)n1 ZINC001157705235 798262978 /nfs/dbraw/zinc/26/29/78/798262978.db2.gz RWYUTKNKZCPDRA-UHFFFAOYSA-N 0 3 316.449 2.254 20 30 DEEDHN N#Cc1cc2c(nc1N1CCN[C@H](c3ccccc3)C1)CCOC2 ZINC001157767603 798274036 /nfs/dbraw/zinc/27/40/36/798274036.db2.gz ZEYAQUHXLKQJQZ-SFHVURJKSA-N 0 3 320.396 2.177 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001157880114 798296534 /nfs/dbraw/zinc/29/65/34/798296534.db2.gz LLQUROOBJFEAQH-CHWSQXEVSA-N 0 3 324.371 2.160 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1c(Cl)cnn1C ZINC001157977499 798319395 /nfs/dbraw/zinc/31/93/95/798319395.db2.gz FSBOTMHJIOBACP-GFCCVEGCSA-N 0 3 310.829 2.186 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1cn2c(n1)CCCC2 ZINC001158030301 798329966 /nfs/dbraw/zinc/32/99/66/798329966.db2.gz UXLXMXFMIYUYKI-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(C)CCN[C@H](CNC(=O)COC)c1ccccc1OC ZINC001198442809 798340520 /nfs/dbraw/zinc/34/05/20/798340520.db2.gz FMYXJRHKNUIZFI-OAHLLOKOSA-N 0 3 306.406 2.055 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(OC)nc1 ZINC001158199659 798358976 /nfs/dbraw/zinc/35/89/76/798358976.db2.gz FSRAYEJDQPVVDM-OAHLLOKOSA-N 0 3 303.406 2.203 20 30 DEEDHN C=CCCN[C@H](CNC(=O)c1ccn[nH]1)c1ccccc1OC ZINC001198555983 798361929 /nfs/dbraw/zinc/36/19/29/798361929.db2.gz WVZRQADEEYBLRJ-OAHLLOKOSA-N 0 3 314.389 2.055 20 30 DEEDHN C=CCOCC(=O)NC[C@H](NCC1CC1)c1ccccc1OC ZINC001198606986 798366402 /nfs/dbraw/zinc/36/64/02/798366402.db2.gz XLBFTTGXBUHJTO-INIZCTEOSA-N 0 3 318.417 2.055 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)C#N)NCCC1CC1 ZINC001198618324 798376234 /nfs/dbraw/zinc/37/62/34/798376234.db2.gz YGMUHTQCHMEXBB-XJKSGUPXSA-N 0 3 315.417 2.402 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](OC)C(F)(F)F ZINC001158709354 798454041 /nfs/dbraw/zinc/45/40/41/798454041.db2.gz ODAYXYYATBIBIT-CHWSQXEVSA-N 0 3 322.371 2.453 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001199246030 798456753 /nfs/dbraw/zinc/45/67/53/798456753.db2.gz UERGJDUIJIEMEW-QAQJPARQSA-N 0 3 320.477 2.330 20 30 DEEDHN N#CC1(c2ccccc2F)CCN(c2cc(CN)ncn2)CC1 ZINC001158887831 798484357 /nfs/dbraw/zinc/48/43/57/798484357.db2.gz HNHBLWUOHNKOJQ-UHFFFAOYSA-N 0 3 311.364 2.136 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CN(CC3CC(C)C3)C[C@H]2O)CCCC1 ZINC001199566591 798500179 /nfs/dbraw/zinc/50/01/79/798500179.db2.gz CEOOAAFQGNXKOT-BHUNQDJPSA-N 0 3 320.477 2.330 20 30 DEEDHN CC[C@@H]1CC[C@H](C(=O)NCCCNCc2ccccc2C#N)O1 ZINC001159172342 798532870 /nfs/dbraw/zinc/53/28/70/798532870.db2.gz WGCKLQMBAYGJEJ-IAGOWNOFSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ncnc2ccsc21 ZINC001159504392 798575892 /nfs/dbraw/zinc/57/58/92/798575892.db2.gz HZOBORGUFPJSDF-UHFFFAOYSA-N 0 3 310.810 2.153 20 30 DEEDHN C=CCCC(=O)N1CCCO[C@H](CNCc2scnc2C)C1 ZINC001200083778 798587385 /nfs/dbraw/zinc/58/73/85/798587385.db2.gz OSZPVGKZVJMTME-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C#CCC1(C(=O)NCCCNCc2c(C)noc2C)CCC1 ZINC001159638477 798591776 /nfs/dbraw/zinc/59/17/76/798591776.db2.gz SAHJKFULKRPKHV-UHFFFAOYSA-N 0 3 303.406 2.081 20 30 DEEDHN C#CCCCCC(=O)N1CCCO[C@H](CNC[C@@H](F)CC)C1 ZINC001200320826 798614390 /nfs/dbraw/zinc/61/43/90/798614390.db2.gz BPIGPTOKKKVMAD-JKSUJKDBSA-N 0 3 312.429 2.135 20 30 DEEDHN CC(C)C#CC(=O)N1CCC(NCc2cc(C3CC3)no2)CC1 ZINC001200448741 798631205 /nfs/dbraw/zinc/63/12/05/798631205.db2.gz LRDMGOLZQPAIEI-UHFFFAOYSA-N 0 3 315.417 2.292 20 30 DEEDHN Cc1cc(CNC2CCN(C(=O)C#CC(C)(C)C)CC2)on1 ZINC001200462251 798633956 /nfs/dbraw/zinc/63/39/56/798633956.db2.gz VRDWYJDOYNUUKE-UHFFFAOYSA-N 0 3 303.406 2.113 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C(C)(C)C2CCCC2)CCCO1 ZINC001200703519 798670246 /nfs/dbraw/zinc/67/02/46/798670246.db2.gz CLLPXFKUKSWWMZ-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)C2(COC)CCCC2)CC1 ZINC001160301943 798672417 /nfs/dbraw/zinc/67/24/17/798672417.db2.gz IWXGYGQDTHOOGX-UHFFFAOYSA-N 0 3 318.461 2.355 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cccc(CC)n2)CC1 ZINC001160367435 798679880 /nfs/dbraw/zinc/67/98/80/798679880.db2.gz LIVKZXUFSQZBGS-UHFFFAOYSA-N 0 3 311.429 2.419 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cc(C)nnc2CC)CC1 ZINC001160530159 798701464 /nfs/dbraw/zinc/70/14/64/798701464.db2.gz XOOMQLLUTLNNHJ-UHFFFAOYSA-N 0 3 314.433 2.285 20 30 DEEDHN C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001160567197 798706503 /nfs/dbraw/zinc/70/65/03/798706503.db2.gz VHLLGMNJFBGGSO-GFCCVEGCSA-N 0 3 318.421 2.124 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CC2CC(C)(C)C2)CCCO1 ZINC001201233467 798724185 /nfs/dbraw/zinc/72/41/85/798724185.db2.gz QATRULLGUQLDJV-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN N#CCCN(Cc1ccc(Cl)cc1)C(=O)C(N)C(F)(F)F ZINC001160737144 798733395 /nfs/dbraw/zinc/73/33/95/798733395.db2.gz BMZADONAQKTXEC-LLVKDONJSA-N 0 3 319.714 2.472 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCO[C@H](CNC/C=C\Cl)C2)C1 ZINC001201365731 798742852 /nfs/dbraw/zinc/74/28/52/798742852.db2.gz HIBOHCCOZXXCLK-PKXJPQMGSA-N 0 3 312.841 2.302 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCc2ccccn2)CC1 ZINC001160845628 798749664 /nfs/dbraw/zinc/74/96/64/798749664.db2.gz OPZWVACULXGQBC-UHFFFAOYSA-N 0 3 311.429 2.176 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@@H](C)CCCCC)CCCO1 ZINC001201576139 798773245 /nfs/dbraw/zinc/77/32/45/798773245.db2.gz FVPWNTOCVZPZOB-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnc3n2CCCC3)CC1 ZINC001160991824 798776510 /nfs/dbraw/zinc/77/65/10/798776510.db2.gz SCESLSMVATVISQ-UHFFFAOYSA-N 0 3 314.433 2.157 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C[C@H](C)C2CCCCC2)CCCO1 ZINC001201619854 798779755 /nfs/dbraw/zinc/77/97/55/798779755.db2.gz BMRNFGQHNZXSIE-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCCC(=O)NCCC1=CCN(CCOCCOC)CC1 ZINC001161056730 798788570 /nfs/dbraw/zinc/78/85/70/798788570.db2.gz PBBVECNGDUGEBD-UHFFFAOYSA-N 0 3 324.465 2.144 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)[C@@H](F)CCCCCC)CCCO1 ZINC001201870874 798806285 /nfs/dbraw/zinc/80/62/85/798806285.db2.gz CPQZFHLAZNKSGD-HOTGVXAUSA-N 0 3 312.429 2.135 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2c(C)cc(C)cc2C)CCCO1 ZINC001202006186 798816694 /nfs/dbraw/zinc/81/66/94/798816694.db2.gz OHLFNPFMHGZKGG-KRWDZBQOSA-N 0 3 314.429 2.066 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001161291512 798821222 /nfs/dbraw/zinc/82/12/22/798821222.db2.gz JZXFYJOTHUNNSC-RBUKOAKNSA-N 0 3 323.440 2.347 20 30 DEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC001202084591 798825183 /nfs/dbraw/zinc/82/51/83/798825183.db2.gz GQOMPZIDLJKGDI-GJZGRUSLSA-N 0 3 318.465 2.442 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2sccc2C(C)C)CCCO1 ZINC001202140966 798832735 /nfs/dbraw/zinc/83/27/35/798832735.db2.gz HUGUSALMGROEAB-AWEZNQCLSA-N 0 3 320.458 2.325 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)CCCO1 ZINC001202154522 798833932 /nfs/dbraw/zinc/83/39/32/798833932.db2.gz OOVLXWYGKVBNKX-QGZVFWFLSA-N 0 3 318.461 2.043 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CC3CCC2CC3)CCCO1 ZINC001202173414 798836076 /nfs/dbraw/zinc/83/60/76/798836076.db2.gz 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C#CCC1(C(=O)N[C@@H]2CN(CCOC)C[C@H]2C)CCCCC1 ZINC001211405624 801560885 /nfs/dbraw/zinc/56/08/85/801560885.db2.gz CLYJAXLTFKOPPB-HZPDHXFCSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc(CC)on2)[C@H](OC)C1 ZINC001213741382 801639341 /nfs/dbraw/zinc/63/93/41/801639341.db2.gz YSYAECYYIPFKMC-APHBMKBZSA-N 0 3 321.421 2.021 20 30 DEEDHN CC(C)CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001231406949 801658449 /nfs/dbraw/zinc/65/84/49/801658449.db2.gz CURNBQJYKRJFIQ-OAHLLOKOSA-N 0 3 302.422 2.469 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001214041359 801667099 /nfs/dbraw/zinc/66/70/99/801667099.db2.gz XXPLEAVKHVXZHP-IUODEOHRSA-N 0 3 324.346 2.269 20 30 DEEDHN Cc1cc(CN[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)sn1 ZINC001214584160 801735522 /nfs/dbraw/zinc/73/55/22/801735522.db2.gz PQDUVDBNNXBLNI-IUODEOHRSA-N 0 3 305.447 2.047 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC001231974863 801762942 /nfs/dbraw/zinc/76/29/42/801762942.db2.gz 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802129323 /nfs/dbraw/zinc/12/93/23/802129323.db2.gz IFGUQBRDTGZUOK-IRXDYDNUSA-N 0 3 324.465 2.071 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001233655568 802176988 /nfs/dbraw/zinc/17/69/88/802176988.db2.gz ZSCCSAUHLHRZOC-CVEARBPZSA-N 0 3 324.465 2.443 20 30 DEEDHN C#CCCCCCC(=O)N1CCO[C@@H]2CN(CCC=C)C[C@@H]21 ZINC001218455441 802186378 /nfs/dbraw/zinc/18/63/78/802186378.db2.gz OQUORQZESQEVPD-DLBZAZTESA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1nccc(C)n1 ZINC001233991329 802260348 /nfs/dbraw/zinc/26/03/48/802260348.db2.gz PMCFDUDSXTZGRD-HUUCEWRRSA-N 0 3 302.422 2.286 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)Cc2ccsc2)[C@@H](O)C1 ZINC001219126911 802287549 /nfs/dbraw/zinc/28/75/49/802287549.db2.gz MRYJRSDRHRJJCK-CVEARBPZSA-N 0 3 324.490 2.422 20 30 DEEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCCC1CCOCC1 ZINC001234160498 802313845 /nfs/dbraw/zinc/31/38/45/802313845.db2.gz HOWQZFOQWZWYHY-GOSISDBHSA-N 0 3 320.477 2.385 20 30 DEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001234159532 802314339 /nfs/dbraw/zinc/31/43/39/802314339.db2.gz BAJJRBWMJCHDTO-HNNXBMFYSA-N 0 3 321.469 2.159 20 30 DEEDHN CO[C@H](CN1CC[C@H]1CN(C)C(=O)C#CC1CC1)C1CCCC1 ZINC001234186309 802321080 /nfs/dbraw/zinc/32/10/80/802321080.db2.gz GPRVNHOEESYSOV-ZWKOTPCHSA-N 0 3 318.461 2.138 20 30 DEEDHN CCO[C@@H](CN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C)C1CC1 ZINC001234216191 802327222 /nfs/dbraw/zinc/32/72/22/802327222.db2.gz UXKZKFFWASUSND-SJORKVTESA-N 0 3 320.477 2.384 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](O)C1 ZINC001219430980 802328495 /nfs/dbraw/zinc/32/84/95/802328495.db2.gz UIFNUXLKKPYBCM-CFVMTHIKSA-N 0 3 306.406 2.026 20 30 DEEDHN CC[C@H](C#CC(=O)OC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234241902 802330972 /nfs/dbraw/zinc/33/09/72/802330972.db2.gz XEJHMXCRTHTOAL-CYBMUJFWSA-N 0 3 323.364 2.230 20 30 DEEDHN C=CCCCCC[C@H](N)C(=O)NCc1ccc2c(c1)OCO2 ZINC001219551522 802344541 /nfs/dbraw/zinc/34/45/41/802344541.db2.gz BRBUHOYJIRLECM-AWEZNQCLSA-N 0 3 304.390 2.495 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1Cc2ccccc2O1 ZINC001234500392 802395361 /nfs/dbraw/zinc/39/53/61/802395361.db2.gz SYJDHURDQJCCHA-IAGOWNOFSA-N 0 3 314.429 2.489 20 30 DEEDHN CC(C)[N@@H+]1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513374 802399142 /nfs/dbraw/zinc/39/91/42/802399142.db2.gz KJCNMZIPTBRNKF-ZDUSSCGKSA-N 0 3 312.373 2.459 20 30 DEEDHN CC(C)[N@H+]1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513374 802399150 /nfs/dbraw/zinc/39/91/50/802399150.db2.gz KJCNMZIPTBRNKF-ZDUSSCGKSA-N 0 3 312.373 2.459 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H](O)C1 ZINC001220078570 802410302 /nfs/dbraw/zinc/41/03/02/802410302.db2.gz VMKGNBIWPWREGM-SJORKVTESA-N 0 3 320.477 2.474 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@@H]1O ZINC001220147044 802414847 /nfs/dbraw/zinc/41/48/47/802414847.db2.gz YMHIXBDHQYOKSM-RRJCZVHSSA-N 0 3 320.477 2.478 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CC2CCCC2)[C@@H](O)C1 ZINC001220471946 802464929 /nfs/dbraw/zinc/46/49/29/802464929.db2.gz HMLYKIJVDQJWDK-UAGQMJEPSA-N 0 3 308.466 2.330 20 30 DEEDHN C[C@@H]1CCN[C@H](C(=O)N=C(N)c2ccc3cc(O)ccc3c2)C1 ZINC001220633897 802481198 /nfs/dbraw/zinc/48/11/98/802481198.db2.gz CRKHHDJVQGLYKT-BZNIZROVSA-N 0 3 311.385 2.165 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001220899583 802510318 /nfs/dbraw/zinc/51/03/18/802510318.db2.gz SXBRUTQZTBLULY-SJORKVTESA-N 0 3 308.466 2.474 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C[C@H](C)c2ccccc2)[C@@H](O)C1 ZINC001220910817 802511286 /nfs/dbraw/zinc/51/12/86/802511286.db2.gz VQRMOQVKKRQRCY-JQHSSLGASA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cccn2CC)[C@@H](O)C1 ZINC001220981475 802517275 /nfs/dbraw/zinc/51/72/75/802517275.db2.gz VEKIYWFKDKPXPZ-WBVHZDCISA-N 0 3 319.449 2.029 20 30 DEEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CCN(C[C@H]3CCCCO3)C[C@H]21 ZINC001221539004 802591515 /nfs/dbraw/zinc/59/15/15/802591515.db2.gz ITEQMIJWBRQCQC-BRWVUGGUSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@H]2CCN(CCC[C@@H](C)O)C[C@H]21 ZINC001221573551 802594205 /nfs/dbraw/zinc/59/42/05/802594205.db2.gz MCBIAGGMWHPDKL-KBAYOESNSA-N 0 3 320.477 2.449 20 30 DEEDHN C#CCC1(C(=O)N2C[C@H]3CCN(CCOC(C)C)C[C@H]32)CCC1 ZINC001221611373 802597008 /nfs/dbraw/zinc/59/70/08/802597008.db2.gz YMTMKVMRQMNQML-IAGOWNOFSA-N 0 3 318.461 2.138 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001221718506 802607307 /nfs/dbraw/zinc/60/73/07/802607307.db2.gz SMHZQIQTAVEVNX-BFYDXBDKSA-N 0 3 312.429 2.108 20 30 DEEDHN C=CCCC1(C(=O)N2C[C@H]3CCN(CCCOC)C[C@H]32)CC1 ZINC001221795053 802616159 /nfs/dbraw/zinc/61/61/59/802616159.db2.gz GYYPICGUCGAIEX-HZPDHXFCSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001221820508 802619364 /nfs/dbraw/zinc/61/93/64/802619364.db2.gz JAAYTSZSYLJERV-BRSBDYLESA-N 0 3 320.477 2.404 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001221918125 802626967 /nfs/dbraw/zinc/62/69/67/802626967.db2.gz BVCTZUQRNAINHL-IXDOHACOSA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001222067405 802636882 /nfs/dbraw/zinc/63/68/82/802636882.db2.gz HNMMGLQXUJNQTH-HOCLYGCPSA-N 0 3 320.408 2.497 20 30 DEEDHN C(#Cc1ccccc1CN1CCOC2(CNC2)C1)c1ccccc1 ZINC001222447306 802687405 /nfs/dbraw/zinc/68/74/05/802687405.db2.gz QPZNCZLCSTWJEY-UHFFFAOYSA-N 0 3 318.420 2.261 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCOc2cccc(F)c2)CC1 ZINC001223391461 802786157 /nfs/dbraw/zinc/78/61/57/802786157.db2.gz ZRKGTTCISPKFQA-UHFFFAOYSA-N 0 3 318.392 2.056 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223471557 802793158 /nfs/dbraw/zinc/79/31/58/802793158.db2.gz AOLAGKCPTLOUNH-UHFFFAOYSA-N 0 3 313.873 2.051 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C2(C3CC3)CCOCC2)CC1 ZINC001223945793 802824789 /nfs/dbraw/zinc/82/47/89/802824789.db2.gz ZZSASUJQPOMTJA-UHFFFAOYSA-N 0 3 318.461 2.045 20 30 DEEDHN C=C(CO[C@@H]1CCCN([C@H](C)c2ccccn2)C1)C(=O)OC ZINC001224373284 802861434 /nfs/dbraw/zinc/86/14/34/802861434.db2.gz PIODYRSZNPOGJB-HUUCEWRRSA-N 0 3 304.390 2.353 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2csc(C3CC3)n2)CC1 ZINC001224762762 802901502 /nfs/dbraw/zinc/90/15/02/802901502.db2.gz UJYLHMFSUYJMPY-UHFFFAOYSA-N 0 3 317.458 2.024 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2sc(C)cc2C)CC1 ZINC001225305255 802954101 /nfs/dbraw/zinc/95/41/01/802954101.db2.gz VYMOOBIVGJHJBD-UHFFFAOYSA-N 0 3 304.459 2.369 20 30 DEEDHN CC#CCN1CCC(CNC(=O)Cc2ccccc2OC)CC1 ZINC001225348476 802957293 /nfs/dbraw/zinc/95/72/93/802957293.db2.gz CUJPPBSAKLIDEZ-UHFFFAOYSA-N 0 3 314.429 2.089 20 30 DEEDHN Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C#N)sn1 ZINC001225426018 802964043 /nfs/dbraw/zinc/96/40/43/802964043.db2.gz CKOMDFRCLZUNRT-ZLKJLUDKSA-N 0 3 306.435 2.128 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC001225617798 802991815 /nfs/dbraw/zinc/99/18/15/802991815.db2.gz PFWCCTVDKAESGG-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN COCCN1CCC(Oc2c(CC#N)cccc2OC)CC1 ZINC001225841801 803019035 /nfs/dbraw/zinc/01/90/35/803019035.db2.gz LGCZVUZDKNWQKR-UHFFFAOYSA-N 0 3 304.390 2.251 20 30 DEEDHN Cc1ccc(F)cc1CN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226617631 803132587 /nfs/dbraw/zinc/13/25/87/803132587.db2.gz LZGCUSAKZDNHJG-ZDUSSCGKSA-N 0 3 303.381 2.374 20 30 DEEDHN COc1cc(CN2CCC(NC(=O)[C@H](C)C#N)CC2)ccc1C ZINC001226639499 803135620 /nfs/dbraw/zinc/13/56/20/803135620.db2.gz DTDHNWQADICJKZ-CQSZACIVSA-N 0 3 315.417 2.244 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001226984000 803186571 /nfs/dbraw/zinc/18/65/71/803186571.db2.gz PVJJSHLPHCDUNK-BPLDGKMQSA-N 0 3 318.421 2.168 20 30 DEEDHN C#CCCCC(=O)NC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001227084635 803197687 /nfs/dbraw/zinc/19/76/87/803197687.db2.gz BQEMGESGAUMDFM-GOSISDBHSA-N 0 3 314.429 2.104 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001228113109 803320820 /nfs/dbraw/zinc/32/08/20/803320820.db2.gz RMLNLVMWQFNGNW-BZUAXINKSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCC ZINC001228129865 803322335 /nfs/dbraw/zinc/32/23/35/803322335.db2.gz KTXRPBOWHXBAHA-BZUAXINKSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001417801012 1167221854 /nfs/dbraw/zinc/22/18/54/1167221854.db2.gz KBBDPCNEYZDERR-BPLDGKMQSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1cccc(C(C)C)c1 ZINC001331158916 1149389267 /nfs/dbraw/zinc/38/92/67/1149389267.db2.gz PDUYYKVNIRTIME-UHFFFAOYSA-N 0 3 302.418 2.121 20 30 DEEDHN CC1(C(=O)NC[C@@H](NCc2ccc(C#N)s2)C2CC2)CC1 ZINC001370168446 1149411953 /nfs/dbraw/zinc/41/19/53/1149411953.db2.gz GJXZUQSDBOFPMH-CQSZACIVSA-N 0 3 303.431 2.404 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001331544982 1149521665 /nfs/dbraw/zinc/52/16/65/1149521665.db2.gz SDPHBYPHLWBAMW-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC001331575082 1149539774 /nfs/dbraw/zinc/53/97/74/1149539774.db2.gz BYATZJDTIRYXAN-LBPRGKRZSA-N 0 3 308.809 2.422 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1c(C)oc(C)c1C ZINC001327229236 1148401885 /nfs/dbraw/zinc/40/18/85/1148401885.db2.gz HZHHWGQJBYOKNH-UHFFFAOYSA-N 0 3 320.433 2.249 20 30 DEEDHN N#CC(C(=O)CCc1ccccc1C(N)=O)c1cccc(F)n1 ZINC001344033764 1150793564 /nfs/dbraw/zinc/79/35/64/1150793564.db2.gz FIEDCDJCIMFIGR-CYBMUJFWSA-N 0 3 311.316 2.129 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001479816562 1150827163 /nfs/dbraw/zinc/82/71/63/1150827163.db2.gz VEOZZIVJPYJKQC-HNNXBMFYSA-N 0 3 302.418 2.260 20 30 DEEDHN CCN(CCCNC(=O)C#CC(C)(C)C)[C@H](C)c1cnccn1 ZINC001479843760 1150891693 /nfs/dbraw/zinc/89/16/93/1150891693.db2.gz MCBHGEVJPHLZMG-OAHLLOKOSA-N 0 3 316.449 2.415 20 30 DEEDHN C[C@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)CSCC#N ZINC001331859706 1149732380 /nfs/dbraw/zinc/73/23/80/1149732380.db2.gz JCTIUMZLCGUDBB-VHSXEESVSA-N 0 3 322.261 2.141 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cc(-c3ccccc3)no2)C1 ZINC001370449864 1149737732 /nfs/dbraw/zinc/73/77/32/1149737732.db2.gz WRWMEFLZPTUJIT-QEJZJMRPSA-N 0 3 324.384 2.238 20 30 DEEDHN Cc1csc(N(CC(F)(F)F)C(=O)[C@@H](N)CCCC#N)n1 ZINC001579834518 1067434256 /nfs/dbraw/zinc/43/42/56/1067434256.db2.gz DTSFSLLBMWSSEZ-VIFPVBQESA-N 0 3 320.340 2.368 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1cn[nH]n1 ZINC001575065016 1069353380 /nfs/dbraw/zinc/35/33/80/1069353380.db2.gz COQSCNSAWSFHMS-HIFRSBDPSA-N 0 3 319.453 2.124 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1c[nH]nn1 ZINC001575065016 1069353386 /nfs/dbraw/zinc/35/33/86/1069353386.db2.gz COQSCNSAWSFHMS-HIFRSBDPSA-N 0 3 319.453 2.124 20 30 DEEDHN C=CC1(CC(=O)N(C)[C@@H](C)CNCc2c[nH]nn2)CCCCC1 ZINC001575077778 1069359457 /nfs/dbraw/zinc/35/94/57/1069359457.db2.gz BWNYTLFVTOCIIX-AWEZNQCLSA-N 0 3 319.453 2.268 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001523229941 1069599282 /nfs/dbraw/zinc/59/92/82/1069599282.db2.gz ALXIEQZWGHSLEC-YJBOKZPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001602703048 1069731974 /nfs/dbraw/zinc/73/19/74/1069731974.db2.gz LJQDBWNDLQAPGA-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001602703048 1069731992 /nfs/dbraw/zinc/73/19/92/1069731992.db2.gz LJQDBWNDLQAPGA-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001602703048 1069732004 /nfs/dbraw/zinc/73/20/04/1069732004.db2.gz LJQDBWNDLQAPGA-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C#CC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001602703048 1069732016 /nfs/dbraw/zinc/73/20/16/1069732016.db2.gz LJQDBWNDLQAPGA-NSHDSACASA-N 0 3 301.781 2.365 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602753292 1069745050 /nfs/dbraw/zinc/74/50/50/1069745050.db2.gz NMXAGBWDPNPVBU-IUODEOHRSA-N 0 3 317.368 2.077 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602753292 1069745052 /nfs/dbraw/zinc/74/50/52/1069745052.db2.gz NMXAGBWDPNPVBU-IUODEOHRSA-N 0 3 317.368 2.077 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)CCOC ZINC001602858678 1069781419 /nfs/dbraw/zinc/78/14/19/1069781419.db2.gz XEARQHOCIYUUKA-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)CCOC ZINC001602858678 1069781427 /nfs/dbraw/zinc/78/14/27/1069781427.db2.gz XEARQHOCIYUUKA-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CCOC ZINC001602858678 1069781436 /nfs/dbraw/zinc/78/14/36/1069781436.db2.gz XEARQHOCIYUUKA-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CCOC ZINC001602858678 1069781446 /nfs/dbraw/zinc/78/14/46/1069781446.db2.gz XEARQHOCIYUUKA-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602884001 1069786141 /nfs/dbraw/zinc/78/61/41/1069786141.db2.gz PUDJCEOLSHNRNA-VQISRLSMSA-N 0 3 317.368 2.390 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602884001 1069786151 /nfs/dbraw/zinc/78/61/51/1069786151.db2.gz PUDJCEOLSHNRNA-VQISRLSMSA-N 0 3 317.368 2.390 20 30 DEEDHN CC1(C#N)CCC([NH2+][C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001603736160 1070070585 /nfs/dbraw/zinc/07/05/85/1070070585.db2.gz GBUNWKUFDMPDMS-PQUAAJSLSA-N 0 3 322.416 2.396 20 30 DEEDHN CC1(C#N)CCC([NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001603736160 1070070603 /nfs/dbraw/zinc/07/06/03/1070070603.db2.gz GBUNWKUFDMPDMS-PQUAAJSLSA-N 0 3 322.416 2.396 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)C(=O)CN1CCC[C@H]1C ZINC001529086511 1070843996 /nfs/dbraw/zinc/84/39/96/1070843996.db2.gz UCFXHBYXCNKQFF-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1CCCCC(F)(F)F ZINC001317494584 1147715041 /nfs/dbraw/zinc/71/50/41/1147715041.db2.gz DZIYFZFYYRLASX-RYUDHWBXSA-N 0 3 305.344 2.459 20 30 DEEDHN N#CC1CCC([NH2+][C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001606344358 1071129839 /nfs/dbraw/zinc/12/98/39/1071129839.db2.gz JOXYSHOGXWOVAQ-QJLPXFQTSA-N 0 3 308.389 2.006 20 30 DEEDHN N#CC1CCC([NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001606344358 1071129841 /nfs/dbraw/zinc/12/98/41/1071129841.db2.gz JOXYSHOGXWOVAQ-QJLPXFQTSA-N 0 3 308.389 2.006 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC001460038165 1058252578 /nfs/dbraw/zinc/25/25/78/1058252578.db2.gz IBIWOYYEIPOBOH-MSOLQXFVSA-N 0 3 309.369 2.140 20 30 DEEDHN C#CCN(C(=O)CC)C1CCN(CCc2ccns2)CC1 ZINC001500019507 1058434585 /nfs/dbraw/zinc/43/45/85/1058434585.db2.gz CEEFYSLSFBOGCD-UHFFFAOYSA-N 0 3 305.447 2.022 20 30 DEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccc(C#N)s2)C1 ZINC001461009867 1058568202 /nfs/dbraw/zinc/56/82/02/1058568202.db2.gz LPBCMLDKBCKCDI-HNNXBMFYSA-N 0 3 309.410 2.448 20 30 DEEDHN Cc1oncc1CN1CCC(C)(CNC(=O)C#CC2CC2)CC1 ZINC001500424875 1058772443 /nfs/dbraw/zinc/77/24/43/1058772443.db2.gz VEXSHXKZXJIDAY-UHFFFAOYSA-N 0 3 315.417 2.115 20 30 DEEDHN Cn1c(CN[C@H]2CCC[C@H](C#N)C2)cc(=O)n1-c1ccccc1 ZINC001462633431 1058864823 /nfs/dbraw/zinc/86/48/23/1058864823.db2.gz HGESIMZVTXBCBE-GJZGRUSLSA-N 0 3 310.401 2.348 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)CCCOC)C1 ZINC001500542268 1058907812 /nfs/dbraw/zinc/90/78/12/1058907812.db2.gz BBJSMWPRFCLCCH-WMZOPIPTSA-N 0 3 308.466 2.291 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cn(C)nc1C ZINC001501378270 1059479159 /nfs/dbraw/zinc/47/91/59/1059479159.db2.gz PGHNCGFAJKCYLF-DLBZAZTESA-N 0 3 316.449 2.260 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CCNCc2ccn(C)n2)C1 ZINC001501622410 1059579738 /nfs/dbraw/zinc/57/97/38/1059579738.db2.gz WXHZTNQAWNCHBU-HNNXBMFYSA-N 0 3 318.465 2.351 20 30 DEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)c1nn(C)cc1C ZINC001501663111 1059618501 /nfs/dbraw/zinc/61/85/01/1059618501.db2.gz NHRAUJVVXKGVFD-UHFFFAOYSA-N 0 3 324.428 2.114 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cnn(CC)c2)cc1 ZINC001501673036 1059626705 /nfs/dbraw/zinc/62/67/05/1059626705.db2.gz LBJJHJFFCAWLEA-AWEZNQCLSA-N 0 3 310.401 2.117 20 30 DEEDHN C#CCNC1(CNC(=O)c2cc(Cl)c(Cl)n2C)CCC1 ZINC001501961080 1059812813 /nfs/dbraw/zinc/81/28/13/1059812813.db2.gz YGYVCECGMVTGMN-UHFFFAOYSA-N 0 3 314.216 2.207 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cnn(C)c2)CCC1 ZINC001501997570 1059851222 /nfs/dbraw/zinc/85/12/22/1059851222.db2.gz NXSFXBVJLBRSKH-INIZCTEOSA-N 0 3 304.438 2.151 20 30 DEEDHN CC1(C)CCCN1CCNC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001468934585 1059875719 /nfs/dbraw/zinc/87/57/19/1059875719.db2.gz ASPZESQCUBZKOE-RMKNXTFCSA-N 0 3 318.392 2.399 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC001469596027 1059974715 /nfs/dbraw/zinc/97/47/15/1059974715.db2.gz SWLZVXOKTPUDPJ-BZUAXINKSA-N 0 3 323.481 2.080 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001502342380 1060053095 /nfs/dbraw/zinc/05/30/95/1060053095.db2.gz VDZOZHLWKYMEFG-UHFFFAOYSA-N 0 3 302.462 2.472 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](CCC)c1ccccn1 ZINC001502367827 1060080406 /nfs/dbraw/zinc/08/04/06/1060080406.db2.gz SUYAUWXVIJBUDQ-INIZCTEOSA-N 0 3 301.434 2.379 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@](CO)(NC[C@@H](F)CC)C1 ZINC001502571159 1060182519 /nfs/dbraw/zinc/18/25/19/1060182519.db2.gz ZQAARHYMRCASII-HOCLYGCPSA-N 0 3 300.418 2.034 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001369171180 1148860451 /nfs/dbraw/zinc/86/04/51/1148860451.db2.gz YCIICNSJMCCDID-MGCOHNPYSA-N 0 3 315.751 2.210 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C(C)(C)C1 ZINC001502834457 1060347996 /nfs/dbraw/zinc/34/79/96/1060347996.db2.gz LFKVQTGJKFHEEP-HZPDHXFCSA-N 0 3 316.449 2.074 20 30 DEEDHN C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001502890927 1060369175 /nfs/dbraw/zinc/36/91/75/1060369175.db2.gz IGTXXJCENSCLBS-OCCSQVGLSA-N 0 3 316.873 2.364 20 30 DEEDHN C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@@H]1C ZINC001502946875 1060405789 /nfs/dbraw/zinc/40/57/89/1060405789.db2.gz BVJJUWMNTDBYKO-KBPBESRZSA-N 0 3 305.426 2.134 20 30 DEEDHN C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2cnn[n-]2)C[C@@H]1C ZINC001502946875 1060405803 /nfs/dbraw/zinc/40/58/03/1060405803.db2.gz BVJJUWMNTDBYKO-KBPBESRZSA-N 0 3 305.426 2.134 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(OCC)cc3)C2)C1 ZINC001472137288 1060432610 /nfs/dbraw/zinc/43/26/10/1060432610.db2.gz JIHTTWCUCPTSRH-UHFFFAOYSA-N 0 3 300.402 2.419 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1ccc(C)n1C ZINC001505418704 1060558394 /nfs/dbraw/zinc/55/83/94/1060558394.db2.gz AFSJBSVANOJRMQ-INIZCTEOSA-N 0 3 319.449 2.073 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cnn(CC)c2C)C1 ZINC001369178002 1148862111 /nfs/dbraw/zinc/86/21/11/1148862111.db2.gz XTNDABABWNTLJG-JOCQHMNTSA-N 0 3 310.829 2.062 20 30 DEEDHN COCCCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001505565902 1060718267 /nfs/dbraw/zinc/71/82/67/1060718267.db2.gz MTDJUKSIWNADJX-LSDHHAIUSA-N 0 3 320.408 2.087 20 30 DEEDHN Cc1oncc1CNCC(C)(C)CN(C)C(=O)C#CC(C)C ZINC001505811585 1060990146 /nfs/dbraw/zinc/99/01/46/1060990146.db2.gz MLOYGMNNNLTOOD-UHFFFAOYSA-N 0 3 305.422 2.217 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1ccc(C)c(F)c1 ZINC001505957449 1061175274 /nfs/dbraw/zinc/17/52/74/1061175274.db2.gz SRGKNKOLWKZVMF-AWEZNQCLSA-N 0 3 308.397 2.387 20 30 DEEDHN C=CCOCC(=O)NC[C@H]1C[C@H](NCc2ccc(F)cc2F)C1 ZINC001479357981 1061412408 /nfs/dbraw/zinc/41/24/08/1061412408.db2.gz RMZKYLHAYJWXLD-NNUKFRKNSA-N 0 3 324.371 2.152 20 30 DEEDHN Cc1nc(C)c(CN[C@H]2C[C@H](CNC(=O)C#CC(C)(C)C)C2)o1 ZINC001479368256 1061416902 /nfs/dbraw/zinc/41/69/02/1061416902.db2.gz WQORCSQZRFVBMP-SHTZXODSSA-N 0 3 317.433 2.325 20 30 DEEDHN Cc1nocc1CN[C@H]1C[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001479366997 1061417819 /nfs/dbraw/zinc/41/78/19/1061417819.db2.gz AOURDABQZUYQAK-CTYIDZIISA-N 0 3 303.406 2.017 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC001329085022 1148863854 /nfs/dbraw/zinc/86/38/54/1148863854.db2.gz HYBDLJOCDJMPMF-LSDHHAIUSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1scnc1COC ZINC001479737869 1061662871 /nfs/dbraw/zinc/66/28/71/1061662871.db2.gz YXZJAKCLIKHOIV-ZDUSSCGKSA-N 0 3 323.462 2.402 20 30 DEEDHN COc1ccc(C)cc1CN(C)CCCNC(=O)[C@H](C)C#N ZINC001479762389 1061699989 /nfs/dbraw/zinc/69/99/89/1061699989.db2.gz PBDXLDHJGUDYJG-CQSZACIVSA-N 0 3 303.406 2.101 20 30 DEEDHN C#CCN(CCCNC(=O)Cc1ccc2cnccc2c1)C1CC1 ZINC001479872819 1061966978 /nfs/dbraw/zinc/96/69/78/1061966978.db2.gz UTOYPAAFCNROEN-UHFFFAOYSA-N 0 3 321.424 2.381 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccc2nccnc21)C1CC1 ZINC001479878279 1061979738 /nfs/dbraw/zinc/97/97/38/1061979738.db2.gz TYHLTUYRNDEFFR-UHFFFAOYSA-N 0 3 322.412 2.237 20 30 DEEDHN N#CCSCC(=O)N[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001479945130 1062076095 /nfs/dbraw/zinc/07/60/95/1062076095.db2.gz MZRJAEFBNMPPQK-GDBMZVCRSA-N 0 3 315.442 2.121 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001479947698 1062086566 /nfs/dbraw/zinc/08/65/66/1062086566.db2.gz ALBTYHAUPLBAEW-QGZVFWFLSA-N 0 3 302.418 2.142 20 30 DEEDHN C=CCOCCN1CCCCC[C@H]1CNC(=O)c1ccccn1 ZINC001506570797 1062147138 /nfs/dbraw/zinc/14/71/38/1062147138.db2.gz ZSMUWWFNIHAINN-INIZCTEOSA-N 0 3 317.433 2.259 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001506592371 1062168821 /nfs/dbraw/zinc/16/88/21/1062168821.db2.gz SMASCDCWBPBLGO-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001506643411 1062225630 /nfs/dbraw/zinc/22/56/30/1062225630.db2.gz YEUVWZUYWDGROY-VQHPVUNQSA-N 0 3 320.477 2.452 20 30 DEEDHN C=CCCC(=O)N1CC[C@@]2(C1)CN(CC1CC(C)C1)CCO2 ZINC001506720580 1062308522 /nfs/dbraw/zinc/30/85/22/1062308522.db2.gz VZRMDZLPLVFVQA-HTWSVDAQSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC[C@@H]1C ZINC001480099824 1062328062 /nfs/dbraw/zinc/32/80/62/1062328062.db2.gz LPNMIIKIFITFQT-MWDXBVQZSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CSCCC)C1 ZINC001480128564 1062362064 /nfs/dbraw/zinc/36/20/64/1062362064.db2.gz MIBDIHGFLREMDY-XYPYZODXSA-N 0 3 321.284 2.275 20 30 DEEDHN C=C(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCc2ccccn2)C1 ZINC001506835099 1062419912 /nfs/dbraw/zinc/41/99/12/1062419912.db2.gz NQBAHIWNSAGOOK-NVXWUHKLSA-N 0 3 317.433 2.143 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001480203903 1062460456 /nfs/dbraw/zinc/46/04/56/1062460456.db2.gz XTPCNIMJDJPBBT-TXEJJXNPSA-N 0 3 313.239 2.181 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CCc2ccccn2)C1 ZINC001506892141 1062479904 /nfs/dbraw/zinc/47/99/04/1062479904.db2.gz IZBWJKSSDNEOQW-CTYIDZIISA-N 0 3 307.825 2.251 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001480271901 1062572914 /nfs/dbraw/zinc/57/29/14/1062572914.db2.gz UEVGNIXWDQCLNQ-WMZOPIPTSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](CNCc1n[nH]c(C)n1)C1CC1 ZINC001507019676 1062684212 /nfs/dbraw/zinc/68/42/12/1062684212.db2.gz SKDAZHPTTYGSLJ-AWEZNQCLSA-N 0 3 319.453 2.042 20 30 DEEDHN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)c1[nH]c(C)nc1C ZINC001507027730 1062692220 /nfs/dbraw/zinc/69/22/20/1062692220.db2.gz LBUCTNNXRJAQIX-ZDUSSCGKSA-N 0 3 310.829 2.219 20 30 DEEDHN COCC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001480369543 1062726504 /nfs/dbraw/zinc/72/65/04/1062726504.db2.gz MGIPODUVMXJSKD-ZWKOTPCHSA-N 0 3 318.461 2.282 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(COC)CCCCC2)C1 ZINC001480380690 1062760695 /nfs/dbraw/zinc/76/06/95/1062760695.db2.gz WROJLSOVWMYFSE-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001480382561 1062760810 /nfs/dbraw/zinc/76/08/10/1062760810.db2.gz KFESHMZBPMLZKT-RYUDHWBXSA-N 0 3 302.340 2.179 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCc2c(C)noc2C)C1 ZINC001480388396 1062778245 /nfs/dbraw/zinc/77/82/45/1062778245.db2.gz XEGDQUWZPUZJHP-XJKSGUPXSA-N 0 3 317.433 2.074 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)c2ccoc2)cc1C#N ZINC001480424383 1062840506 /nfs/dbraw/zinc/84/05/06/1062840506.db2.gz ZPBWUPDPHRBSBX-GFCCVEGCSA-N 0 3 313.357 2.068 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001480542731 1063008178 /nfs/dbraw/zinc/00/81/78/1063008178.db2.gz FDDNRCJFRWLQAR-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2ccns2)[C@@H]1C ZINC001507276111 1063017049 /nfs/dbraw/zinc/01/70/49/1063017049.db2.gz YVTZKXFBPOYNGX-DZGCQCFKSA-N 0 3 323.462 2.205 20 30 DEEDHN Cc1ncoc1C(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@H]1C ZINC001507307458 1063067526 /nfs/dbraw/zinc/06/75/26/1063067526.db2.gz USMKIUFDNYRFLW-RHSMWYFYSA-N 0 3 323.396 2.227 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NCC(=O)NCC(C)(C)C)C[C@H]1C ZINC001507311073 1063076126 /nfs/dbraw/zinc/07/61/26/1063076126.db2.gz UNRLHJQOPAXIOO-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)CCOc2cccc(F)c2)C1 ZINC001507313030 1063078264 /nfs/dbraw/zinc/07/82/64/1063078264.db2.gz KJVINRCOSMJMQY-ZBFHGGJFSA-N 0 3 318.392 2.197 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCOc2ccccc2)C1 ZINC001507330541 1063104474 /nfs/dbraw/zinc/10/44/74/1063104474.db2.gz HFJPDSJTWVXCKG-HZPDHXFCSA-N 0 3 300.402 2.058 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C(C)(C)c2cccc(OC)c2)C1 ZINC001480622312 1063113507 /nfs/dbraw/zinc/11/35/07/1063113507.db2.gz BGOHUKURAHCSBA-INIZCTEOSA-N 0 3 314.429 2.187 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)c2sccc2C)CC1(C)C ZINC001507422338 1063262882 /nfs/dbraw/zinc/26/28/82/1063262882.db2.gz ODZZYFWDSXUTQO-CQSZACIVSA-N 0 3 320.458 2.147 20 30 DEEDHN CC[C@@H](F)CN[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC001507432533 1063281655 /nfs/dbraw/zinc/28/16/55/1063281655.db2.gz MHLYWNPBBWACDQ-RISCZKNCSA-N 0 3 306.385 2.075 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)[C@]23C[C@H]2CCCC3)CC1(C)C ZINC001507446177 1063294880 /nfs/dbraw/zinc/29/48/80/1063294880.db2.gz PRPMWYAMBVPPMN-GPMSIDNRSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCCN(C)CCN(C(=O)C[C@H](OC)C(F)(F)F)C(C)C ZINC001507854888 1063443096 /nfs/dbraw/zinc/44/30/96/1063443096.db2.gz NDXWYRLFHKBBOV-ZDUSSCGKSA-N 0 3 322.371 2.146 20 30 DEEDHN C=C(Cl)CN(C)CCN(C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001507807904 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CSC[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001493498641 1063833298 /nfs/dbraw/zinc/83/32/98/1063833298.db2.gz TUKOZSGJCGBJOQ-NSHDSACASA-N 0 3 311.476 2.167 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1[nH]cnc1CC)c1ccccc1 ZINC001493904222 1064017791 /nfs/dbraw/zinc/01/77/91/1064017791.db2.gz PKJROLOXNSVASY-INIZCTEOSA-N 0 3 310.401 2.056 20 30 DEEDHN CN(C/C=C/Cl)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001494121651 1064128523 /nfs/dbraw/zinc/12/85/23/1064128523.db2.gz FXPBEOVGHQPKER-KMOQFTEPSA-N 0 3 306.797 2.033 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC001494134571 1064134109 /nfs/dbraw/zinc/13/41/09/1064134109.db2.gz HJMCDUWPWBYXCP-OAHLLOKOSA-N 0 3 318.465 2.303 20 30 DEEDHN C#Cc1cncc(C(=O)N2CC[C@@H](CN(C)C/C=C/Cl)C2)c1 ZINC001494160788 1064148783 /nfs/dbraw/zinc/14/87/83/1064148783.db2.gz SCPXUJHOITVUJG-DRDHIDPGSA-N 0 3 317.820 2.209 20 30 DEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001567382807 1064174150 /nfs/dbraw/zinc/17/41/50/1064174150.db2.gz 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C=CCN1CCC[C@](C)(CNC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001569716655 1065687736 /nfs/dbraw/zinc/68/77/36/1065687736.db2.gz ZXZFEXVFSFSIDK-CRAIPNDOSA-N 0 3 318.465 2.232 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2cncs2)C1 ZINC001569720082 1065689040 /nfs/dbraw/zinc/68/90/40/1065689040.db2.gz RMVKLJNMUONNOM-INIZCTEOSA-N 0 3 307.463 2.480 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1cnn(CCC(C)C)c1C ZINC001496818045 1065734031 /nfs/dbraw/zinc/73/40/31/1065734031.db2.gz HRVWRVDKLSGZRC-UHFFFAOYSA-N 0 3 306.454 2.427 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)COc1cc(C)cc(C)c1 ZINC001496837994 1065745308 /nfs/dbraw/zinc/74/53/08/1065745308.db2.gz RCHGQGBHYWJFQK-UHFFFAOYSA-N 0 3 302.418 2.096 20 30 DEEDHN C=CCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2nccnc2C)C1 ZINC001496855573 1065757076 /nfs/dbraw/zinc/75/70/76/1065757076.db2.gz RZPREVZSUIETMI-WBVHZDCISA-N 0 3 314.433 2.174 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](CNCc2cnns2)C1 ZINC001569847623 1065762456 /nfs/dbraw/zinc/76/24/56/1065762456.db2.gz VUMFYCYUBUBDAU-OLZOCXBDSA-N 0 3 308.451 2.079 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)COC1CCCC1 ZINC001569868150 1065778128 /nfs/dbraw/zinc/77/81/28/1065778128.db2.gz KURJQSOFMHRVCJ-UHFFFAOYSA-N 0 3 314.429 2.197 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001569975381 1065853609 /nfs/dbraw/zinc/85/36/09/1065853609.db2.gz LGOHSXUIADPIPS-XJKSGUPXSA-N 0 3 314.857 2.118 20 30 DEEDHN C#CCN(C(=O)[C@@H](C)CSC(F)(F)F)C1CCN(C)CC1 ZINC001626637336 1078259759 /nfs/dbraw/zinc/25/97/59/1078259759.db2.gz JTYNDOCNDHQRMK-NSHDSACASA-N 0 3 322.396 2.432 20 30 DEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001570029785 1065890866 /nfs/dbraw/zinc/89/08/66/1065890866.db2.gz HWWLDZDEICRZHG-AWEZNQCLSA-N 0 3 320.396 2.490 20 30 DEEDHN C#CCCN1CCc2c(CNC(=O)Cc3ccc[nH]3)cccc2C1 ZINC001570078841 1065916125 /nfs/dbraw/zinc/91/61/25/1065916125.db2.gz BGSSWAZXEJDGNE-UHFFFAOYSA-N 0 3 321.424 2.255 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)CCC1 ZINC001570122101 1065932754 /nfs/dbraw/zinc/93/27/54/1065932754.db2.gz BDXRQIOMRHMFLN-DLBZAZTESA-N 0 3 318.461 2.091 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)CCC1 ZINC001570122104 1065933439 /nfs/dbraw/zinc/93/34/39/1065933439.db2.gz BDXRQIOMRHMFLN-SJORKVTESA-N 0 3 318.461 2.091 20 30 DEEDHN C=CCCC(=O)N1CCO[C@@H](CNCc2ccc(F)c(F)c2)C1 ZINC001570133251 1065936890 /nfs/dbraw/zinc/93/68/90/1065936890.db2.gz GVFUERQSENPGCX-AWEZNQCLSA-N 0 3 324.371 2.248 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@H](CC)N(C)C ZINC001497172203 1065941003 /nfs/dbraw/zinc/94/10/03/1065941003.db2.gz ITXNZYWXENBCLI-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN Cc1nc(CNCC[C@H](C)NC(=O)C#CC2CC2)sc1C ZINC001497186005 1065950770 /nfs/dbraw/zinc/95/07/70/1065950770.db2.gz IWPNFBBBXNWYAU-NSHDSACASA-N 0 3 305.447 2.158 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1cc2cccc(OC)c2o1 ZINC001570206600 1065973396 /nfs/dbraw/zinc/97/33/96/1065973396.db2.gz YCZRXQFJABVZOM-UHFFFAOYSA-N 0 3 314.385 2.469 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ncsc1C1CC1 ZINC001570208592 1065974285 /nfs/dbraw/zinc/97/42/85/1065974285.db2.gz LSCKDTMYSODPOJ-UHFFFAOYSA-N 0 3 305.447 2.438 20 30 DEEDHN C=CCOc1cccnc1C(=O)NCCN1CCC(C)(C)C1 ZINC001627621159 1078280017 /nfs/dbraw/zinc/28/00/17/1078280017.db2.gz CSTMYKSYXJQEBF-UHFFFAOYSA-N 0 3 303.406 2.108 20 30 DEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)c1cc(C)no1 ZINC001497350425 1066043179 /nfs/dbraw/zinc/04/31/79/1066043179.db2.gz NYJWAGUXOMFNLI-UHFFFAOYSA-N 0 3 312.373 2.107 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001570508260 1066098832 /nfs/dbraw/zinc/09/88/32/1066098832.db2.gz OPBZJJBCBLFDGS-WMZOPIPTSA-N 0 3 309.413 2.168 20 30 DEEDHN CS[C@H](C)C(=O)NC/C=C\CNCc1ccc(F)c(C#N)c1 ZINC001497533234 1066130262 /nfs/dbraw/zinc/13/02/62/1066130262.db2.gz FNUURMXCEDPEJB-VSQXVHSFSA-N 0 3 321.421 2.211 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001497638833 1066202703 /nfs/dbraw/zinc/20/27/03/1066202703.db2.gz IDYBOOCBKNJDLS-CHYADLBTSA-N 0 3 300.377 2.141 20 30 DEEDHN COCC#CCNC/C=C\CNC(=O)CC1CCCCCC1 ZINC001497687526 1066241048 /nfs/dbraw/zinc/24/10/48/1066241048.db2.gz YQSKOXCZDBMRFK-SREVYHEPSA-N 0 3 306.450 2.259 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCC(=O)NC1CCCCC1 ZINC001497904899 1066405437 /nfs/dbraw/zinc/40/54/37/1066405437.db2.gz AXLIWBJKEZXPDK-RDTXWAMCSA-N 0 3 323.481 2.132 20 30 DEEDHN CC(C)n1ncc2c1[C@@H](NC(=O)[C@@H](N)CCCCC#N)CCC2 ZINC001575904258 1066454688 /nfs/dbraw/zinc/45/46/88/1066454688.db2.gz LMQYOWLGPUAMIN-GJZGRUSLSA-N 0 3 317.437 2.369 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@]1(c2ccccc2)CCCO1 ZINC001498442145 1066709155 /nfs/dbraw/zinc/70/91/55/1066709155.db2.gz BQXUMCSCZVAHOB-MAUKXSAKSA-N 0 3 302.418 2.315 20 30 DEEDHN CN(CCCNCc1cc(C#N)ccc1F)C(=O)C1(C)CC1 ZINC001498548807 1066773657 /nfs/dbraw/zinc/77/36/57/1066773657.db2.gz MDYYVPGKMOXQRH-UHFFFAOYSA-N 0 3 303.381 2.436 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1noc2c1CCCC2 ZINC001498616129 1066805432 /nfs/dbraw/zinc/80/54/32/1066805432.db2.gz KHCMXTUZSIITCI-UHFFFAOYSA-N 0 3 311.813 2.358 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1nc(C)n2ccccc12 ZINC001634640729 1078434408 /nfs/dbraw/zinc/43/44/08/1078434408.db2.gz MFAGEPVVYIFYDQ-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C ZINC001634647038 1078434991 /nfs/dbraw/zinc/43/49/91/1078434991.db2.gz VLSALSQPTNTVSA-KDOFPFPSSA-N 0 3 324.465 2.321 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001498805357 1066901255 /nfs/dbraw/zinc/90/12/55/1066901255.db2.gz OZPVHFDBESILSP-LKTVYLICSA-N 0 3 303.431 2.260 20 30 DEEDHN CCN(Cc1ccc(OC)cc1OC)C(=O)[C@@H](N)CCCC#N ZINC001577736845 1066917530 /nfs/dbraw/zinc/91/75/30/1066917530.db2.gz BVKPZDWFZQVCQO-HNNXBMFYSA-N 0 3 319.405 2.073 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1n[nH]c2c1CCCCC2 ZINC001635758137 1078457994 /nfs/dbraw/zinc/45/79/94/1078457994.db2.gz ZNCAAUAIUIMZFM-UHFFFAOYSA-N 0 3 304.438 2.259 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001499139248 1067115120 /nfs/dbraw/zinc/11/51/20/1067115120.db2.gz YTAMLNKQBTZLGY-GDBMZVCRSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CC)CNC(=O)[C@H]1CCCN1CCC ZINC001499142262 1067116137 /nfs/dbraw/zinc/11/61/37/1067116137.db2.gz YFWPAEGWKDEITE-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1(N[C@@H](C)c2cccc(F)c2)CC1 ZINC001499227187 1067148394 /nfs/dbraw/zinc/14/83/94/1067148394.db2.gz YKAALZPETOILCZ-UONOGXRCSA-N 0 3 318.392 2.163 20 30 DEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(COC)CCCC1 ZINC001499506820 1067240160 /nfs/dbraw/zinc/24/01/60/1067240160.db2.gz PJPDQLUUJBYPPB-SJORKVTESA-N 0 3 318.461 2.282 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001499511963 1067242127 /nfs/dbraw/zinc/24/21/27/1067242127.db2.gz OHSKDMSLTUEACS-IKGGRYGDSA-N 0 3 318.461 2.445 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)c2coc(C)c2)CC1 ZINC001499535660 1067250204 /nfs/dbraw/zinc/25/02/04/1067250204.db2.gz MSDPJYIBIPGSTI-UHFFFAOYSA-N 0 3 318.417 2.164 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001267011694 1078497379 /nfs/dbraw/zinc/49/73/79/1078497379.db2.gz BPLKVWSBNCLYQS-HNNXBMFYSA-N 0 3 316.449 2.082 20 30 DEEDHN COCC#CCN1CC[C@@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC001499605129 1067275120 /nfs/dbraw/zinc/27/51/20/1067275120.db2.gz ZVOBZGPQUUGAQY-LJQANCHMSA-N 0 3 316.445 2.061 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC001267018987 1078506367 /nfs/dbraw/zinc/50/63/67/1078506367.db2.gz WHXZUDONMRQACR-HOCLYGCPSA-N 0 3 302.393 2.218 20 30 DEEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001499812890 1067341523 /nfs/dbraw/zinc/34/15/23/1067341523.db2.gz GHVLLZKDIDEUFU-LSDHHAIUSA-N 0 3 318.417 2.178 20 30 DEEDHN Cc1c(C#N)cccc1C(=O)Nc1ccnc([C@H]2CCCN2)n1 ZINC001579520037 1067359027 /nfs/dbraw/zinc/35/90/27/1067359027.db2.gz TXACPHFLHRDVOQ-CQSZACIVSA-N 0 3 307.357 2.334 20 30 DEEDHN Cc1cc2cc(CNC(=O)C3CC4(C3)CNC[C@@H]4C#N)ccc2[nH]1 ZINC001579642981 1067393624 /nfs/dbraw/zinc/39/36/24/1067393624.db2.gz GMPFMJFGBRZDAA-WUJZJPHMSA-N 0 3 322.412 2.232 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001267042965 1078523384 /nfs/dbraw/zinc/52/33/84/1078523384.db2.gz GFYHZSGEWDZQMF-OCCSQVGLSA-N 0 3 319.453 2.215 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2oc(CC)nc2C)C1 ZINC001267112967 1078590295 /nfs/dbraw/zinc/59/02/95/1078590295.db2.gz BBVJDXYAFPHQGC-AWEZNQCLSA-N 0 3 303.406 2.105 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC001267114739 1078592637 /nfs/dbraw/zinc/59/26/37/1078592637.db2.gz LSJBBGPIBNJNRB-QGZVFWFLSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1CC ZINC001483612165 1078626488 /nfs/dbraw/zinc/62/64/88/1078626488.db2.gz FTTFHANQBLEZIQ-ZBFHGGJFSA-N 0 3 300.402 2.246 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)c1[nH]ccc1C ZINC001570528705 1067987353 /nfs/dbraw/zinc/98/73/53/1067987353.db2.gz WITPMBBKWIHRKN-HNNXBMFYSA-N 0 3 305.422 2.062 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H](OC)c1ccccc1 ZINC001570544588 1067997398 /nfs/dbraw/zinc/99/73/98/1067997398.db2.gz ZGFAAQXFBBBYLJ-IAGOWNOFSA-N 0 3 302.418 2.483 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CCCNC(=O)c1c(C)ncn1C ZINC001267169745 1078634594 /nfs/dbraw/zinc/63/45/94/1078634594.db2.gz WEOMRMHSJCAIPQ-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCC(=O)Nc1ccccc1C ZINC001570593015 1068024980 /nfs/dbraw/zinc/02/49/80/1068024980.db2.gz OCPHWEHILJSYJK-HUUCEWRRSA-N 0 3 317.433 2.383 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1 ZINC001570701767 1068077007 /nfs/dbraw/zinc/07/70/07/1068077007.db2.gz FBOMWHVJYOZYIQ-ZDUSSCGKSA-N 0 3 310.825 2.479 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)CCOCc1ccccc1 ZINC001570709021 1068080857 /nfs/dbraw/zinc/08/08/57/1068080857.db2.gz MSDSXJCIYVBDKP-QGZVFWFLSA-N 0 3 316.445 2.299 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001570752251 1068109441 /nfs/dbraw/zinc/10/94/41/1068109441.db2.gz VYBLXNJHUWNKEQ-HUUCEWRRSA-N 0 3 304.434 2.496 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C[C@H](OCC)C(C)C ZINC001570823361 1068130719 /nfs/dbraw/zinc/13/07/19/1068130719.db2.gz WYSNLQYLQBOYMR-SJORKVTESA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001570857380 1068141095 /nfs/dbraw/zinc/14/10/95/1068141095.db2.gz CNEBNRJGIDDNCH-AWEZNQCLSA-N 0 3 314.404 2.317 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](CNCc2ccn(CC)n2)C1 ZINC001571121482 1068183302 /nfs/dbraw/zinc/18/33/02/1068183302.db2.gz DRDWUKIMRGQLAD-KOMQPUFPSA-N 0 3 304.438 2.244 20 30 DEEDHN C=C(Br)CNCCC[C@H](C)NC(=O)c1ccon1 ZINC001571231702 1068197835 /nfs/dbraw/zinc/19/78/35/1068197835.db2.gz HIZMMFNESDRDPP-JTQLQIEISA-N 0 3 316.199 2.071 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCNCc1cc(F)ccc1F ZINC001571237573 1068198564 /nfs/dbraw/zinc/19/85/64/1068198564.db2.gz WLQOCDMCSYFHMI-VXGBXAGGSA-N 0 3 309.360 2.499 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001571277174 1068208611 /nfs/dbraw/zinc/20/86/11/1068208611.db2.gz KKUFXXOFQYNWQJ-KGLIPLIRSA-N 0 3 324.856 2.073 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cnc2n1CCCC2 ZINC001571301078 1068212525 /nfs/dbraw/zinc/21/25/25/1068212525.db2.gz MRPFSDUODYNHHG-ZDUSSCGKSA-N 0 3 324.856 2.460 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001511274057 1068262013 /nfs/dbraw/zinc/26/20/13/1068262013.db2.gz IRDHSIONXOPKAZ-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC001571384880 1068266417 /nfs/dbraw/zinc/26/64/17/1068266417.db2.gz XMGNTUDKCKYOEL-CQSZACIVSA-N 0 3 315.392 2.437 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001571390528 1068270904 /nfs/dbraw/zinc/27/09/04/1068270904.db2.gz IDZOELGILRNVHF-RHSMWYFYSA-N 0 3 314.429 2.185 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2ccccn2)[C@H]1C ZINC001571454485 1068300724 /nfs/dbraw/zinc/30/07/24/1068300724.db2.gz VUYOBPZWDQZGRP-WBVHZDCISA-N 0 3 317.433 2.143 20 30 DEEDHN COCC#CCN[C@H]1C[C@@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC001571473713 1068325484 /nfs/dbraw/zinc/32/54/84/1068325484.db2.gz VIYXVYQIWABZBI-WBVHZDCISA-N 0 3 304.434 2.106 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(F)c2F)C1 ZINC001571488048 1068342359 /nfs/dbraw/zinc/34/23/59/1068342359.db2.gz ZBZLUTGVLQHDAE-OCCSQVGLSA-N 0 3 306.356 2.110 20 30 DEEDHN C=CCOCCN1CCC[C@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC001571520600 1068385834 /nfs/dbraw/zinc/38/58/34/1068385834.db2.gz HYWXQHOGNQSGHF-AEFFLSMTSA-N 0 3 316.445 2.401 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1CCCN1C[C@@H]1CC(C)(C)CO1 ZINC001267266623 1078712921 /nfs/dbraw/zinc/71/29/21/1078712921.db2.gz KRLODRSADKZFCJ-CVEARBPZSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2(COC)CCCC2)CC1 ZINC001571644540 1068456448 /nfs/dbraw/zinc/45/64/48/1068456448.db2.gz VQUALSSZWHIRGL-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)COc2ccccc2F)CC1 ZINC001571651259 1068459489 /nfs/dbraw/zinc/45/94/89/1068459489.db2.gz PXEDZECMKPXAFX-AWEZNQCLSA-N 0 3 318.392 2.054 20 30 DEEDHN Cc1cc(C(=O)N(C)C2CC(NCC#Cc3ccccc3)C2)on1 ZINC001571653038 1068461386 /nfs/dbraw/zinc/46/13/86/1068461386.db2.gz BZGJABUVRRZJBH-UHFFFAOYSA-N 0 3 323.396 2.227 20 30 DEEDHN C#CCCCCC(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC001571656408 1068463932 /nfs/dbraw/zinc/46/39/32/1068463932.db2.gz SVEZDIXHYUBQTI-UHFFFAOYSA-N 0 3 314.433 2.058 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001512127849 1068479283 /nfs/dbraw/zinc/47/92/83/1068479283.db2.gz UHHSXPOHDLCETJ-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)C2(C3CC3)CC2)CC1 ZINC001571689487 1068480984 /nfs/dbraw/zinc/48/09/84/1068480984.db2.gz XWSQMXLSWLZXKL-UHFFFAOYSA-N 0 3 304.434 2.128 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1ccc(Cl)cc1 ZINC001267281909 1078728363 /nfs/dbraw/zinc/72/83/63/1078728363.db2.gz ROFMWTQAMILNBI-AWEZNQCLSA-N 0 3 308.809 2.485 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001267299800 1078746371 /nfs/dbraw/zinc/74/63/71/1078746371.db2.gz FTALHSAEURDXDZ-INIZCTEOSA-N 0 3 323.440 2.182 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)COc2ccccc2CC)C1 ZINC001267306080 1078752138 /nfs/dbraw/zinc/75/21/38/1078752138.db2.gz QZNAGBVDQWPAHM-INIZCTEOSA-N 0 3 314.429 2.089 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001514397422 1068703617 /nfs/dbraw/zinc/70/36/17/1068703617.db2.gz JBXIJGKFKUKFET-HUUCEWRRSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CN(CC)CC)C1 ZINC001572399685 1068753477 /nfs/dbraw/zinc/75/34/77/1068753477.db2.gz CMVRCWBHXZDUOC-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001572438953 1068770380 /nfs/dbraw/zinc/77/03/80/1068770380.db2.gz PADCUFSQTPPSNS-GJZGRUSLSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001572438955 1068770428 /nfs/dbraw/zinc/77/04/28/1068770428.db2.gz PADCUFSQTPPSNS-LSDHHAIUSA-N 0 3 323.481 2.035 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)CCCn1nc(C)cc1C ZINC001483683510 1078789751 /nfs/dbraw/zinc/78/97/51/1078789751.db2.gz JRFOWXKNOKCDIF-INIZCTEOSA-N 0 3 304.438 2.047 20 30 DEEDHN CN(CCNCc1ccc(C#N)s1)C(=O)C[C@@H]1CCCCO1 ZINC001267360522 1078792763 /nfs/dbraw/zinc/79/27/63/1078792763.db2.gz JDBWNRPHGLERHB-ZDUSSCGKSA-N 0 3 321.446 2.127 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)[C@@]1(C)CCOC1)c1ccccc1 ZINC001267376810 1078807023 /nfs/dbraw/zinc/80/70/23/1078807023.db2.gz JNALBHXMYZGITF-AEFFLSMTSA-N 0 3 302.418 2.436 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cccnc1N(C)C ZINC001483700637 1078821281 /nfs/dbraw/zinc/82/12/81/1078821281.db2.gz IMLSVKNUINAIHO-CABCVRRESA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2([C@@H]3CCCO3)CCC2)CC1 ZINC001518937698 1069024786 /nfs/dbraw/zinc/02/47/86/1069024786.db2.gz VJPMCYQLXWYEFH-HNNXBMFYSA-N 0 3 307.438 2.038 20 30 DEEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H]1CCOC1 ZINC001267406255 1078836826 /nfs/dbraw/zinc/83/68/26/1078836826.db2.gz YGTVAOFKHLQSTP-YESZJQIVSA-N 0 3 318.461 2.138 20 30 DEEDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(C#N)cc1OC ZINC001573716410 1069077804 /nfs/dbraw/zinc/07/78/04/1069077804.db2.gz AJNRJXMBQBZPFZ-UONOGXRCSA-N 0 3 301.390 2.169 20 30 DEEDHN CC(=O)CCCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483716081 1078854974 /nfs/dbraw/zinc/85/49/74/1078854974.db2.gz WYJRVMNYNMWSSM-UHFFFAOYSA-N 0 3 313.401 2.056 20 30 DEEDHN CCCSCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001483718221 1078866899 /nfs/dbraw/zinc/86/68/99/1078866899.db2.gz LATNDQYKFWAUQD-UHFFFAOYSA-N 0 3 317.458 2.440 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)NCc1nnc2n1CCCC2 ZINC001521446980 1069242399 /nfs/dbraw/zinc/24/23/99/1069242399.db2.gz VCCOUDZMUUCUSR-AWEZNQCLSA-N 0 3 321.469 2.309 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001574903249 1069292810 /nfs/dbraw/zinc/29/28/10/1069292810.db2.gz NDOFKLXVUQFVKE-LSDHHAIUSA-N 0 3 303.406 2.053 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC001574908418 1069294945 /nfs/dbraw/zinc/29/49/45/1069294945.db2.gz NDCQVMOEROLDFV-KGLIPLIRSA-N 0 3 304.390 2.016 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cccn3ccnc23)C1 ZINC001267488071 1078914110 /nfs/dbraw/zinc/91/41/10/1078914110.db2.gz IREZKKLNCIGIOB-INIZCTEOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCO[C@H](C)C(=O)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001483734346 1078919520 /nfs/dbraw/zinc/91/95/20/1078919520.db2.gz WNECVARTGZEHBC-CYBMUJFWSA-N 0 3 320.820 2.117 20 30 DEEDHN CC(C)N(CCCNC(=O)[C@@H](C)C#N)Cc1ccc(C#N)s1 ZINC001267499351 1078926018 /nfs/dbraw/zinc/92/60/18/1078926018.db2.gz SNPALSMHZUOKRB-ZDUSSCGKSA-N 0 3 318.446 2.496 20 30 DEEDHN C=CCOCCN[C@@H](CNC(=O)C#CC(C)C)c1ccccc1 ZINC001267519652 1078948823 /nfs/dbraw/zinc/94/88/23/1078948823.db2.gz HRQXMGWNBSUIOA-SFHVURJKSA-N 0 3 314.429 2.296 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@](C)(OC)c1ccccc1F ZINC001283622022 1078949839 /nfs/dbraw/zinc/94/98/39/1078949839.db2.gz QJHFEMGGJFVORE-KSSFIOAISA-N 0 3 320.408 2.147 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1coc(CC)n1)c1ccccc1 ZINC001267521268 1078951015 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0 3 313.401 2.252 20 30 DEEDHN C=C1CC(C)(C(=O)NCCCN(CC)Cc2cn(C)nc2C)C1 ZINC001566565385 1075283783 /nfs/dbraw/zinc/28/37/83/1075283783.db2.gz SWCREAIDSYDOCY-UHFFFAOYSA-N 0 3 318.465 2.413 20 30 DEEDHN CC#CCN(CCCNC(=O)[C@]12CCO[C@@H]1CCCC2)C1CC1 ZINC001566591581 1075291535 /nfs/dbraw/zinc/29/15/35/1075291535.db2.gz CTTLRPPKCGCIHY-IEBWSBKVSA-N 0 3 318.461 2.330 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC001566611131 1075296396 /nfs/dbraw/zinc/29/63/96/1075296396.db2.gz XEDVEWDVSDWPEJ-GOSISDBHSA-N 0 3 306.450 2.468 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC001566674974 1075314824 /nfs/dbraw/zinc/31/48/24/1075314824.db2.gz IKHUIZQCJPRBOF-AWEZNQCLSA-N 0 3 318.421 2.036 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC001566697158 1075320285 /nfs/dbraw/zinc/32/02/85/1075320285.db2.gz PYMQNHYBMLOWFN-CVEARBPZSA-N 0 3 322.449 2.075 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](NCc1cncn1C)C1CC1 ZINC001566717914 1075325572 /nfs/dbraw/zinc/32/55/72/1075325572.db2.gz YMAXDGFOXJCXJN-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](NCc1ccnn1C)C1CC1 ZINC001566722849 1075326932 /nfs/dbraw/zinc/32/69/32/1075326932.db2.gz QLXRKQIXVSVLHD-OAHLLOKOSA-N 0 3 304.438 2.007 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#CCOC ZINC001566819987 1075352688 /nfs/dbraw/zinc/35/26/88/1075352688.db2.gz ZWYYXCMABBQUFY-ALOPSCKCSA-N 0 3 318.461 2.350 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001566823826 1075353756 /nfs/dbraw/zinc/35/37/56/1075353756.db2.gz ALMOWBHCMZCECW-VFXWJFPTSA-N 0 3 324.852 2.092 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCOCC(C)C)C1 ZINC001566825554 1075354716 /nfs/dbraw/zinc/35/47/16/1075354716.db2.gz XJDKGOYDCVPBEM-ZWKOTPCHSA-N 0 3 320.477 2.385 20 30 DEEDHN O=C(c1ncc[nH]1)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001566936976 1075392590 /nfs/dbraw/zinc/39/25/90/1075392590.db2.gz JJIPSGBTDFERCB-KRWDZBQOSA-N 0 3 322.412 2.046 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1nsc2ccc(C)cc21 ZINC001567042539 1075421520 /nfs/dbraw/zinc/42/15/20/1075421520.db2.gz USAZMAJTMPFOSQ-GFCCVEGCSA-N 0 3 301.415 2.336 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)NCc2cccc(F)c2)nc1 ZINC001567070805 1075426736 /nfs/dbraw/zinc/42/67/36/1075426736.db2.gz CUQHJIZAVJRCLU-CYBMUJFWSA-N 0 3 311.360 2.110 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NCc2ccc(OC)nc2)C1 ZINC001567096641 1075431419 /nfs/dbraw/zinc/43/14/19/1075431419.db2.gz LFFWBWSXTOPXFH-HNNXBMFYSA-N 0 3 303.406 2.137 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC001567104569 1075432533 /nfs/dbraw/zinc/43/25/33/1075432533.db2.gz VVOSOEMNHRQCCQ-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@@H](CNCc2cnc(C)o2)C1 ZINC001567119855 1075436466 /nfs/dbraw/zinc/43/64/66/1075436466.db2.gz TXCORJQADQJIIB-HNNXBMFYSA-N 0 3 303.406 2.115 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001567126726 1075438393 /nfs/dbraw/zinc/43/83/93/1075438393.db2.gz DBOQNLOHPMTQHY-HNNXBMFYSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001567155092 1075447337 /nfs/dbraw/zinc/44/73/37/1075447337.db2.gz LWRSBJLSKZRKEW-BFTHVDOESA-N 0 3 321.248 2.336 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC001567198354 1075460695 /nfs/dbraw/zinc/46/06/95/1075460695.db2.gz GKDNATWHAZJCCX-QGZVFWFLSA-N 0 3 312.413 2.181 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001567279409 1075486244 /nfs/dbraw/zinc/48/62/44/1075486244.db2.gz USVZPARALRJQJP-DYVFJYSZSA-N 0 3 308.397 2.262 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)c2ncc(OC)cn2)C1 ZINC001267726645 1079416438 /nfs/dbraw/zinc/41/64/38/1079416438.db2.gz RPMCXKOJTQJROJ-AWEZNQCLSA-N 0 3 320.437 2.260 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001267730743 1079422251 /nfs/dbraw/zinc/42/22/51/1079422251.db2.gz XLWHJHBJUSWPCZ-INIZCTEOSA-N 0 3 322.836 2.276 20 30 DEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2C[C@H]2C2CCC2)c1 ZINC001650163181 1079429587 /nfs/dbraw/zinc/42/95/87/1079429587.db2.gz MVWDCSRIPSVGNO-JKSUJKDBSA-N 0 3 304.415 2.110 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)CCOc1ccccc1F ZINC001329432474 1148894035 /nfs/dbraw/zinc/89/40/35/1148894035.db2.gz TYMCCAJOFASHNY-HNNXBMFYSA-N 0 3 320.408 2.300 20 30 DEEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc3c(c2)COC3)C1 ZINC001267788821 1079496596 /nfs/dbraw/zinc/49/65/96/1079496596.db2.gz BVDFQTSORDRKBL-SFHVURJKSA-N 0 3 314.429 2.368 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001581863893 1076105405 /nfs/dbraw/zinc/10/54/05/1076105405.db2.gz UQOPCADMLPUBAU-HNNXBMFYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc(-c2nnn[n-]2)c1 ZINC001588456787 1076449622 /nfs/dbraw/zinc/44/96/22/1076449622.db2.gz VSDDYBZQKVZFPU-GASCZTMLSA-N 0 3 311.389 2.429 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(-c2nnn[n-]2)c1 ZINC001588456787 1076449627 /nfs/dbraw/zinc/44/96/27/1076449627.db2.gz VSDDYBZQKVZFPU-GASCZTMLSA-N 0 3 311.389 2.429 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc(-c2nn[n-]n2)c1 ZINC001588456787 1076449630 /nfs/dbraw/zinc/44/96/30/1076449630.db2.gz VSDDYBZQKVZFPU-GASCZTMLSA-N 0 3 311.389 2.429 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(-c2nn[n-]n2)c1 ZINC001588456787 1076449634 /nfs/dbraw/zinc/44/96/34/1076449634.db2.gz VSDDYBZQKVZFPU-GASCZTMLSA-N 0 3 311.389 2.429 20 30 DEEDHN C=CC[C@@H](C)[N@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588539777 1076453027 /nfs/dbraw/zinc/45/30/27/1076453027.db2.gz YTPLVOWTDHASPO-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[C@@H](C)[N@@H+](C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588539777 1076453030 /nfs/dbraw/zinc/45/30/30/1076453030.db2.gz YTPLVOWTDHASPO-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[C@@H](C)[N@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588539777 1076453033 /nfs/dbraw/zinc/45/30/33/1076453033.db2.gz YTPLVOWTDHASPO-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CC[C@@H](C)[N@@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588539777 1076453035 /nfs/dbraw/zinc/45/30/35/1076453035.db2.gz YTPLVOWTDHASPO-CYBMUJFWSA-N 0 3 301.394 2.280 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579006 1076454722 /nfs/dbraw/zinc/45/47/22/1076454722.db2.gz IQGSKXRDUWAKRK-WFASDCNBSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588579006 1076454723 /nfs/dbraw/zinc/45/47/23/1076454723.db2.gz IQGSKXRDUWAKRK-WFASDCNBSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579006 1076454725 /nfs/dbraw/zinc/45/47/25/1076454725.db2.gz IQGSKXRDUWAKRK-WFASDCNBSA-N 0 3 301.394 2.187 20 30 DEEDHN C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588579006 1076454727 /nfs/dbraw/zinc/45/47/27/1076454727.db2.gz IQGSKXRDUWAKRK-WFASDCNBSA-N 0 3 301.394 2.187 20 30 DEEDHN CCCC[N@H+](C)C[C@@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590600832 1076658950 /nfs/dbraw/zinc/65/89/50/1076658950.db2.gz YASFEONPQNXPKO-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN CCCC[N@@H+](C)C[C@@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590600832 1076658954 /nfs/dbraw/zinc/65/89/54/1076658954.db2.gz YASFEONPQNXPKO-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN CCCC[N@H+](C)C[C@@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590600832 1076658961 /nfs/dbraw/zinc/65/89/61/1076658961.db2.gz YASFEONPQNXPKO-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN CCCC[N@@H+](C)C[C@@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590600832 1076658963 /nfs/dbraw/zinc/65/89/63/1076658963.db2.gz YASFEONPQNXPKO-GFCCVEGCSA-N 0 3 313.409 2.271 20 30 DEEDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591009722 1076703110 /nfs/dbraw/zinc/70/31/10/1076703110.db2.gz FEYAPRMORBQWRD-QWHCGFSZSA-N 0 3 311.393 2.023 20 30 DEEDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591009722 1076703112 /nfs/dbraw/zinc/70/31/12/1076703112.db2.gz FEYAPRMORBQWRD-QWHCGFSZSA-N 0 3 311.393 2.023 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2cc(C)n(C)n2)C1 ZINC001484338784 1079548025 /nfs/dbraw/zinc/54/80/25/1079548025.db2.gz OSNDSWIVUNLITN-CVEARBPZSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNCc2ccc(OC)nc2)CCC1 ZINC001481276946 1079557737 /nfs/dbraw/zinc/55/77/37/1079557737.db2.gz IIKVSNPTWPBRNU-UHFFFAOYSA-N 0 3 317.433 2.385 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@H](OC)[C@H](C)CC)cc1 ZINC001267938446 1079619693 /nfs/dbraw/zinc/61/96/93/1079619693.db2.gz WSRCFSQBAFPACU-CRAIPNDOSA-N 0 3 316.445 2.477 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001484554154 1079657192 /nfs/dbraw/zinc/65/71/92/1079657192.db2.gz PFOGWFLWSCCJFL-IAGOWNOFSA-N 0 3 324.428 2.447 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805870 1079682471 /nfs/dbraw/zinc/68/24/71/1079682471.db2.gz LZCGLLFUQYDLIY-NXOAAHMSSA-N 0 3 318.848 2.321 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1cc(C)ncn1 ZINC001268005289 1079687952 /nfs/dbraw/zinc/68/79/52/1079687952.db2.gz SBCQBJLORYAXDH-ZDUSSCGKSA-N 0 3 304.438 2.229 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2ccc(OC)c(F)c2)CCC1 ZINC001484642369 1079701860 /nfs/dbraw/zinc/70/18/60/1079701860.db2.gz CCRAWZXMVQXYKF-UHFFFAOYSA-N 0 3 318.392 2.029 20 30 DEEDHN CC#CCN1CCC[C@H](NC(=O)C2(COC)CCCC2)CC1 ZINC001484716046 1079740379 /nfs/dbraw/zinc/74/03/79/1079740379.db2.gz BJMYXOWTFMCWIA-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN COCC#CCN(C)CCCN(C)C(=O)c1cccc(C)c1 ZINC001484731329 1079755076 /nfs/dbraw/zinc/75/50/76/1079755076.db2.gz RJEZVBDAIBHZSA-UHFFFAOYSA-N 0 3 302.418 2.039 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@]2(CCN(CC#CC)C2)C1 ZINC001484822433 1079815076 /nfs/dbraw/zinc/81/50/76/1079815076.db2.gz AWPOIATUZGLPKC-PKOBYXMFSA-N 0 3 318.461 2.305 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CC2(C)CC2)CCOCC1 ZINC001484866906 1079834227 /nfs/dbraw/zinc/83/42/27/1079834227.db2.gz NDCLVRKNCZATGZ-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C=CCOCC(=O)NCC1(NCc2c(C)noc2C)CCCC1 ZINC001268033657 1079847485 /nfs/dbraw/zinc/84/74/85/1079847485.db2.gz XLOQHDMIDBDJJA-UHFFFAOYSA-N 0 3 321.421 2.013 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(C(C)C)n2)C1 ZINC001484896969 1079848554 /nfs/dbraw/zinc/84/85/54/1079848554.db2.gz FHBOQGDXFLIXRT-KGLIPLIRSA-N 0 3 319.453 2.221 20 30 DEEDHN CCOCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001484969270 1079886349 /nfs/dbraw/zinc/88/63/49/1079886349.db2.gz UDSWSAPYISWXCZ-YOEHRIQHSA-N 0 3 315.417 2.064 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001485027789 1079920171 /nfs/dbraw/zinc/92/01/71/1079920171.db2.gz WSZRSFZPOQKYJN-IRXDYDNUSA-N 0 3 320.477 2.169 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001481470509 1079923981 /nfs/dbraw/zinc/92/39/81/1079923981.db2.gz DTXUKZIKIFKAIV-HKUYNNGSSA-N 0 3 319.493 2.219 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H]1CN(C)CCOC1CCC1 ZINC001485055873 1079934937 /nfs/dbraw/zinc/93/49/37/1079934937.db2.gz ONKDNKVFEGSCQN-INIZCTEOSA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)C1CC(F)(F)C1 ZINC001485053803 1079940673 /nfs/dbraw/zinc/94/06/73/1079940673.db2.gz CYVAECXULIGBND-AWEZNQCLSA-N 0 3 316.392 2.157 20 30 DEEDHN CCOCCCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001268052864 1079974587 /nfs/dbraw/zinc/97/45/87/1079974587.db2.gz IAWAMVJYBPYNNR-QGZVFWFLSA-N 0 3 316.445 2.291 20 30 DEEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001268086871 1080043432 /nfs/dbraw/zinc/04/34/32/1080043432.db2.gz SGHPFRHZQZXYBO-NEPJUHHUSA-N 0 3 307.442 2.213 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCn1cc(Cl)cn1 ZINC001656109926 1080047201 /nfs/dbraw/zinc/04/72/01/1080047201.db2.gz UZDFXONUIUUBLJ-AWEZNQCLSA-N 0 3 310.829 2.035 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2nc(C)oc2C)[C@@H](C)C1 ZINC001268126818 1080094427 /nfs/dbraw/zinc/09/44/27/1080094427.db2.gz GLYAKEZHMGJMSJ-XJKSGUPXSA-N 0 3 317.433 2.422 20 30 DEEDHN C[C@H](CNC(=O)c1cscn1)N(C)Cc1cccc(C#N)c1 ZINC001485284899 1080111396 /nfs/dbraw/zinc/11/13/96/1080111396.db2.gz VDJNURGVOWXOCK-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC001268145763 1080116040 /nfs/dbraw/zinc/11/60/40/1080116040.db2.gz RHIYVLAMNXFREQ-ZIAGYGMSSA-N 0 3 300.830 2.279 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001656780022 1080123312 /nfs/dbraw/zinc/12/33/12/1080123312.db2.gz NQNSFRNCMGIVSQ-HOTGVXAUSA-N 0 3 308.466 2.284 20 30 DEEDHN CC(C)(C)C#CC(=O)NCC1CN(C[C@H](O)C2CCCCC2)C1 ZINC001481623919 1080154193 /nfs/dbraw/zinc/15/41/93/1080154193.db2.gz GMGXTMRAXJYHSC-KRWDZBQOSA-N 0 3 320.477 2.025 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](CCC)OCC)CC(C)(C)C1 ZINC001657102400 1080156427 /nfs/dbraw/zinc/15/64/27/1080156427.db2.gz TXAYJOGKQFGJBJ-HOTGVXAUSA-N 0 3 308.466 2.432 20 30 DEEDHN CCO[C@H](CN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 ZINC001268194347 1080183277 /nfs/dbraw/zinc/18/32/77/1080183277.db2.gz GSGMAYNAQVYRJL-DLBZAZTESA-N 0 3 320.477 2.432 20 30 DEEDHN CCCC[C@H](CNCc1cnn(C)c1)NC(=O)C#CC(C)(C)C ZINC001485463511 1080231064 /nfs/dbraw/zinc/23/10/64/1080231064.db2.gz NLMWDQHPYDGQAH-MRXNPFEDSA-N 0 3 318.465 2.234 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C1CN(Cc2cccc(CC)c2)C1 ZINC001485498516 1080257649 /nfs/dbraw/zinc/25/76/49/1080257649.db2.gz VDFLSKQRKBPCRH-OAHLLOKOSA-N 0 3 316.445 2.388 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2(COC)CC2)cc1 ZINC001272700080 1080268798 /nfs/dbraw/zinc/26/87/98/1080268798.db2.gz HDVKYVFHVQSPMQ-AWEZNQCLSA-N 0 3 300.402 2.013 20 30 DEEDHN C=C[C@@H](CC(=O)N[C@H](C)C1CN(CCOC)C1)c1ccccc1 ZINC001485539300 1080286057 /nfs/dbraw/zinc/28/60/57/1080286057.db2.gz JIYNKXCBDTWVFF-CVEARBPZSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCCOC2)CCC1 ZINC001481676798 1080287472 /nfs/dbraw/zinc/28/74/72/1080287472.db2.gz NEFNGCZFEWFTGP-ULQDDVLXSA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)CC1(C)C ZINC001485562896 1080306417 /nfs/dbraw/zinc/30/64/17/1080306417.db2.gz CTUKPZDOWFQHJJ-QGZVFWFLSA-N 0 3 316.445 2.472 20 30 DEEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001481702103 1080321785 /nfs/dbraw/zinc/32/17/85/1080321785.db2.gz CJNVMNPPZDETMW-SJLPKXTDSA-N 0 3 314.429 2.032 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNCc1cc(C)ccc1F ZINC001268320819 1080325397 /nfs/dbraw/zinc/32/53/97/1080325397.db2.gz DBBVMEVXZHQLKH-MAUKXSAKSA-N 0 3 322.424 2.303 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)N(CC)CC ZINC001660431352 1080330069 /nfs/dbraw/zinc/33/00/69/1080330069.db2.gz ASHMPTGHCFRHMG-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001485702547 1080383994 /nfs/dbraw/zinc/38/39/94/1080383994.db2.gz WJACTCPBJNVODK-AULYBMBSSA-N 0 3 307.825 2.354 20 30 DEEDHN C#CCOCCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481729455 1080396920 /nfs/dbraw/zinc/39/69/20/1080396920.db2.gz VNINKXZXJNYRJV-SFHVURJKSA-N 0 3 314.429 2.068 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)C(C)(C)COC ZINC001268386717 1080404190 /nfs/dbraw/zinc/40/41/90/1080404190.db2.gz PLXKCXVXEALFIA-LLVKDONJSA-N 0 3 321.259 2.052 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCC[C@@H](C)O)C2)cc1 ZINC001660833390 1080404784 /nfs/dbraw/zinc/40/47/84/1080404784.db2.gz KPKYFXLTOZFUAO-CRAIPNDOSA-N 0 3 314.429 2.023 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001660888042 1080412540 /nfs/dbraw/zinc/41/25/40/1080412540.db2.gz XCJXIYIGJDRALY-MRXNPFEDSA-N 0 3 309.498 2.369 20 30 DEEDHN O=C(CCCF)NC[C@H](NCC#Cc1ccccc1)C1CC1 ZINC001661157486 1080450118 /nfs/dbraw/zinc/45/01/18/1080450118.db2.gz SWNKWKKNIOCAAA-KRWDZBQOSA-N 0 3 302.393 2.272 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)cc1 ZINC001268419993 1080455966 /nfs/dbraw/zinc/45/59/66/1080455966.db2.gz BWLSOVRMKNUMQU-CYBMUJFWSA-N 0 3 323.824 2.170 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)ccc1F)CC2 ZINC001272706869 1080460903 /nfs/dbraw/zinc/46/09/03/1080460903.db2.gz ILEOJQKMOWMTJN-MRXNPFEDSA-N 0 3 314.404 2.486 20 30 DEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001661248778 1080462938 /nfs/dbraw/zinc/46/29/38/1080462938.db2.gz CKHYPLNKVPUYES-HRCADAONSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncccn1 ZINC001661271667 1080465104 /nfs/dbraw/zinc/46/51/04/1080465104.db2.gz ZICKTIHDMWTDOR-IYBDPMFKSA-N 0 3 314.433 2.051 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2nsc3ccc(C)cc32)C1 ZINC001661335979 1080471087 /nfs/dbraw/zinc/47/10/87/1080471087.db2.gz AJPIBZZAAOOFRW-ZDUSSCGKSA-N 0 3 313.426 2.432 20 30 DEEDHN CC(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001661555171 1080492981 /nfs/dbraw/zinc/49/29/81/1080492981.db2.gz KCRKHJXBQVQGEQ-GASCZTMLSA-N 0 3 310.319 2.314 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cccc(OC)n2)C1 ZINC001661636139 1080501312 /nfs/dbraw/zinc/50/13/12/1080501312.db2.gz DGWNYGRNZJPQOJ-GASCZTMLSA-N 0 3 317.433 2.429 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)COCC1CCCC1 ZINC001661870902 1080537288 /nfs/dbraw/zinc/53/72/88/1080537288.db2.gz GLPMYDOUXXDMCT-KRWDZBQOSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCCN(Cc3ccnn3C)CC2)C1=O ZINC001272738495 1080542923 /nfs/dbraw/zinc/54/29/23/1080542923.db2.gz GZZYZPRDJTUQPD-GOSISDBHSA-N 0 3 316.449 2.201 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)COC(C)(C)C)C1CC1 ZINC001481925677 1080615060 /nfs/dbraw/zinc/61/50/60/1080615060.db2.gz RUKFYHSQSPEVRN-HNNXBMFYSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@](C)(CNCc1cccc(F)c1F)C1CC1 ZINC001481926397 1080617140 /nfs/dbraw/zinc/61/71/40/1080617140.db2.gz YTKHUIMLEHKIFG-DIFFPNOSSA-N 0 3 321.371 2.499 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)Cc1cscn1)C1CC1 ZINC001481945669 1080636337 /nfs/dbraw/zinc/63/63/37/1080636337.db2.gz ZZWBPQRNLDJZJQ-AWEZNQCLSA-N 0 3 313.854 2.313 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C2(c3cccnc3)CC2)cc1 ZINC001482032795 1080715030 /nfs/dbraw/zinc/71/50/30/1080715030.db2.gz LEGUBLLQGZYZJQ-UHFFFAOYSA-N 0 3 319.408 2.152 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)c2ccsn2)c1 ZINC001268553942 1080750058 /nfs/dbraw/zinc/75/00/58/1080750058.db2.gz FTEOCEHKHXHCMX-UPHRSURJSA-N 0 3 312.398 2.091 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001663492774 1080756036 /nfs/dbraw/zinc/75/60/36/1080756036.db2.gz HZHLLXRJGZJCJF-SFHVURJKSA-N 0 3 314.429 2.116 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N(CC)CC ZINC001482063477 1080768943 /nfs/dbraw/zinc/76/89/43/1080768943.db2.gz DWNMUMLQKVJSMZ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(CCC)CCNC(=O)C1([C@H]2CCCCO2)CCC1 ZINC001663672739 1080803073 /nfs/dbraw/zinc/80/30/73/1080803073.db2.gz VTPMVWUJKUTELV-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ncoc1C(F)(F)F)C1CC1 ZINC001663734783 1080810208 /nfs/dbraw/zinc/81/02/08/1080810208.db2.gz HFHKKHATDZCMDN-UHFFFAOYSA-N 0 3 317.311 2.464 20 30 DEEDHN CS[C@H](C)CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663891479 1080834109 /nfs/dbraw/zinc/83/41/09/1080834109.db2.gz UKQIPAPHFGWWBF-GFCCVEGCSA-N 0 3 323.437 2.387 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCNCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001664115570 1080861145 /nfs/dbraw/zinc/86/11/45/1080861145.db2.gz DKPYOIMWQWZQCA-GJZGRUSLSA-N 0 3 323.481 2.036 20 30 DEEDHN CC(C)N(C/C=C\Cl)CCCNC(=O)c1c[nH]c(C#N)c1 ZINC001664501053 1080917685 /nfs/dbraw/zinc/91/76/85/1080917685.db2.gz CBGWRAWHHQLMLF-HYXAFXHYSA-N 0 3 308.813 2.469 20 30 DEEDHN CC#CCCCC(=O)NC[C@@H](NC[C@@H](C)O)c1ccccc1 ZINC001664587728 1080929206 /nfs/dbraw/zinc/92/92/06/1080929206.db2.gz GISHRBBNIRWEDJ-NVXWUHKLSA-N 0 3 302.418 2.008 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)C=C1CCC1 ZINC001268680981 1080930941 /nfs/dbraw/zinc/93/09/41/1080930941.db2.gz CBBKWQYKURYOAV-ZDUSSCGKSA-N 0 3 313.401 2.271 20 30 DEEDHN C=CCN[C@H](CNC(=O)CCc1cnccn1)c1ccccc1 ZINC001664599697 1080931621 /nfs/dbraw/zinc/93/16/21/1080931621.db2.gz VHNDMQBYFNRMMD-QGZVFWFLSA-N 0 3 310.401 2.042 20 30 DEEDHN C=CCN[C@H](CNC(=O)c1cc(CC)n(C)n1)c1ccccc1 ZINC001664603770 1080932413 /nfs/dbraw/zinc/93/24/13/1080932413.db2.gz DFRWMRWKEBFLOR-QGZVFWFLSA-N 0 3 312.417 2.229 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1cccc(NC(C)=O)c1 ZINC001268701124 1080940784 /nfs/dbraw/zinc/94/07/84/1080940784.db2.gz VVYHAZLTKLSZEE-ZDUSSCGKSA-N 0 3 317.433 2.452 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001664673876 1080941782 /nfs/dbraw/zinc/94/17/82/1080941782.db2.gz QWZYTQZQFIHBLA-XWTMOSNGSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cc(C)ccc1F ZINC001268747215 1080966470 /nfs/dbraw/zinc/96/64/70/1080966470.db2.gz VIQHYTFRRNOLRC-CQSZACIVSA-N 0 3 308.397 2.387 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001268798916 1080999149 /nfs/dbraw/zinc/99/91/49/1080999149.db2.gz PQTQJEYBVDEKJH-UHFFFAOYSA-N 0 3 322.796 2.073 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCCNCc1cc2n(n1)CCC2 ZINC001268836945 1081013185 /nfs/dbraw/zinc/01/31/85/1081013185.db2.gz XYVBJFPAJMXDDI-SFHVURJKSA-N 0 3 318.465 2.370 20 30 DEEDHN C=C[C@H](C(=O)NCC1CN(CCC[C@H](C)O)C1)c1ccccc1 ZINC001665362723 1081017662 /nfs/dbraw/zinc/01/76/62/1081017662.db2.gz JWFJMOCINOSEMD-YJBOKZPZSA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccn2)CC1 ZINC001665392118 1081023653 /nfs/dbraw/zinc/02/36/53/1081023653.db2.gz INIITTQMSREIDS-HOTGVXAUSA-N 0 3 311.429 2.365 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)COC/C=C/c2ccccc2)C1 ZINC001665553296 1081039246 /nfs/dbraw/zinc/03/92/46/1081039246.db2.gz BRYJDGRJMDNJDE-AHKGRUIUSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001665601750 1081043735 /nfs/dbraw/zinc/04/37/35/1081043735.db2.gz XNTNTDCBTRBNIS-QWHCGFSZSA-N 0 3 323.462 2.448 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC(F)(F)C(F)(F)F)C1 ZINC001665691434 1081064388 /nfs/dbraw/zinc/06/43/88/1081064388.db2.gz LANXGBAVNWCHMH-SNVBAGLBSA-N 0 3 312.282 2.130 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001665714523 1081068779 /nfs/dbraw/zinc/06/87/79/1081068779.db2.gz CVPVEMASCKRBRX-AEFFLSMTSA-N 0 3 318.461 2.448 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCn2nc(C)cc2C)C1 ZINC001665725923 1081071713 /nfs/dbraw/zinc/07/17/13/1081071713.db2.gz LFKWNMJNTIZQNQ-KRWDZBQOSA-N 0 3 318.465 2.389 20 30 DEEDHN C=CCNC(=O)CN[C@H](CC)CNC(=O)C1(C)CCCCCC1 ZINC001665797914 1081082755 /nfs/dbraw/zinc/08/27/55/1081082755.db2.gz DPMKNDXKHOZFNJ-OAHLLOKOSA-N 0 3 323.481 2.134 20 30 DEEDHN COCC#CCN1CCC(CCNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001666387512 1081149674 /nfs/dbraw/zinc/14/96/74/1081149674.db2.gz YVCOVQUMBUVHEZ-ZWKOTPCHSA-N 0 3 320.477 2.147 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)OCc2ccccc2)C1 ZINC001269257665 1081186118 /nfs/dbraw/zinc/18/61/18/1081186118.db2.gz UMMMGRIFLXFLOX-WMZOPIPTSA-N 0 3 314.429 2.148 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001269256415 1081186159 /nfs/dbraw/zinc/18/61/59/1081186159.db2.gz YQRSZHHMQDWUEY-JKSUJKDBSA-N 0 3 323.481 2.016 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC(C)(C)C ZINC001666914758 1081193742 /nfs/dbraw/zinc/19/37/42/1081193742.db2.gz XNALUIIVCWKTKS-ZIAGYGMSSA-N 0 3 311.470 2.082 20 30 DEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2nccs2)[C@@H](C)C1 ZINC001667169964 1081219375 /nfs/dbraw/zinc/21/93/75/1081219375.db2.gz PONLDYNNMHOBDR-KBPBESRZSA-N 0 3 305.447 2.129 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001269343826 1081222514 /nfs/dbraw/zinc/22/25/14/1081222514.db2.gz OWUZJAJEYYRTBU-CQSZACIVSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1cccc2nsnc21 ZINC001269356990 1081225990 /nfs/dbraw/zinc/22/59/90/1081225990.db2.gz WEUDYPMBLAMLMI-CYBMUJFWSA-N 0 3 316.430 2.000 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]([C@H](C)NCc2cnns2)C1 ZINC001667319675 1081236851 /nfs/dbraw/zinc/23/68/51/1081236851.db2.gz LILBCTGIHNFWTQ-STQMWFEESA-N 0 3 308.451 2.221 20 30 DEEDHN CC/C=C(\C)C(=O)N[C@@H](C)C1CCN(CC#CCOC)CC1 ZINC001279120244 1081239031 /nfs/dbraw/zinc/23/90/31/1081239031.db2.gz RPVKABITLNSYKK-AHQMPEJBSA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)c1ccccc1)C2 ZINC001111298566 1081239669 /nfs/dbraw/zinc/23/96/69/1081239669.db2.gz DQQWHVUOOCLWQU-ZJPYXAASSA-N 0 3 312.413 2.119 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1cnc(C)nc1 ZINC001269407195 1081240967 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C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1ccccn1)C2 ZINC001111308307 1081292508 /nfs/dbraw/zinc/29/25/08/1081292508.db2.gz MPLLWWFLGQJNFF-KURKYZTESA-N 0 3 311.429 2.149 20 30 DEEDHN C=CCOCCCC(=O)N1CCC2(C1)CCN(CC#CC)CC2 ZINC001269704392 1081340127 /nfs/dbraw/zinc/34/01/27/1081340127.db2.gz PRJJIJPZKNKUTI-UHFFFAOYSA-N 0 3 318.461 2.307 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2nccc(C)n2)C1 ZINC001269723175 1081345554 /nfs/dbraw/zinc/34/55/54/1081345554.db2.gz HSPRVDFJLNTBOY-AWEZNQCLSA-N 0 3 322.840 2.369 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001269737331 1081350287 /nfs/dbraw/zinc/35/02/87/1081350287.db2.gz QHQIGECPNABGER-OALUTQOASA-N 0 3 318.461 2.163 20 30 DEEDHN CCN(CCNCc1ccc(OC)c(F)c1)C(=O)C#CC1CC1 ZINC001668422361 1081352704 /nfs/dbraw/zinc/35/27/04/1081352704.db2.gz BDWBUYAEQWSHRZ-UHFFFAOYSA-N 0 3 318.392 2.186 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)[C@@H]1CC=CCC1)CC2 ZINC001482239712 1081352934 /nfs/dbraw/zinc/35/29/34/1081352934.db2.gz 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C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCCCCOC)cc1 ZINC001276898764 1083669710 /nfs/dbraw/zinc/66/97/10/1083669710.db2.gz LKJSOMQJOPRGQW-SFHVURJKSA-N 0 3 314.429 2.289 20 30 DEEDHN C=C(C)CNCc1ccncc1O[C@H]1CCN(C(=O)C(C)C)C1 ZINC001127867474 1083754056 /nfs/dbraw/zinc/75/40/56/1083754056.db2.gz AZTUWPRMKMHYRF-INIZCTEOSA-N 0 3 317.433 2.383 20 30 DEEDHN C#CCCCC(=O)NC[C@@]1(C)CN([C@H](C)CCC=C)CCO1 ZINC001107900800 1083859435 /nfs/dbraw/zinc/85/94/35/1083859435.db2.gz CGSMGRZAFYMCIU-AEFFLSMTSA-N 0 3 306.450 2.352 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](NCc2conc2C)C1)OCC ZINC001490896290 1083859814 /nfs/dbraw/zinc/85/98/14/1083859814.db2.gz MEMNGFWBSJZILZ-BZUAXINKSA-N 0 3 321.421 2.091 20 30 DEEDHN CC(C)C#CC(=O)NC[C@]1(C)CN(CC2CCCC2)CCO1 ZINC001107926241 1083902830 /nfs/dbraw/zinc/90/28/30/1083902830.db2.gz DANFIANXWAOVFZ-GOSISDBHSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001490917087 1083924132 /nfs/dbraw/zinc/92/41/32/1083924132.db2.gz 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C12CCC2 ZINC001078816545 1084908675 /nfs/dbraw/zinc/90/86/75/1084908675.db2.gz OCEDMFFHMSFTLL-UONOGXRCSA-N 0 3 307.825 2.327 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001485869162 1084944064 /nfs/dbraw/zinc/94/40/64/1084944064.db2.gz UOYAIQSZIAZXIT-DYVFJYSZSA-N 0 3 308.397 2.089 20 30 DEEDHN Cc1nn(C(C)C)cc1CN[C@@H](C)CN(C)C(=O)C#CC1CC1 ZINC001485870088 1084953504 /nfs/dbraw/zinc/95/35/04/1084953504.db2.gz DUGBLICSMYSWRZ-AWEZNQCLSA-N 0 3 316.449 2.122 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001485951118 1084998716 /nfs/dbraw/zinc/99/87/16/1084998716.db2.gz GWIUMQJHRGHNNJ-INIZCTEOSA-N 0 3 302.418 2.003 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](CO)N[C@H]1CCc2ccccc21 ZINC001486037162 1085037505 /nfs/dbraw/zinc/03/75/05/1085037505.db2.gz CIFADMRTINLMSC-RDJZCZTQSA-N 0 3 316.445 2.343 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2C[C@H](NCCF)C[C@@H]2C)cc1 ZINC001486111015 1085070925 /nfs/dbraw/zinc/07/09/25/1085070925.db2.gz 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C#CCCN(C)CCN(C(=O)[C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC001486378499 1085252338 /nfs/dbraw/zinc/25/23/38/1085252338.db2.gz LRGGUGCXCAVKHG-SJORKVTESA-N 0 3 308.466 2.384 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001486436091 1085311084 /nfs/dbraw/zinc/31/10/84/1085311084.db2.gz YJTYZNGHVZGBEC-LSDHHAIUSA-N 0 3 324.428 2.435 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001486511620 1085395757 /nfs/dbraw/zinc/39/57/57/1085395757.db2.gz UZTZHBJMSYQBGA-IRXDYDNUSA-N 0 3 304.434 2.268 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000960649456 1085400041 /nfs/dbraw/zinc/40/00/41/1085400041.db2.gz QCTCALWNMYDANU-WNRNVDISSA-N 0 3 312.413 2.037 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2cc(C#N)c[nH]2)c(F)c1 ZINC001486522213 1085404230 /nfs/dbraw/zinc/40/42/30/1085404230.db2.gz AUAVRNVVLMRFAQ-UHFFFAOYSA-N 0 3 312.348 2.231 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)C(=O)C(C)(C)C)c(F)c1 ZINC001486523243 1085406336 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N#Cc1ccc(CNCCNC(=O)c2cc3occc3[nH]2)cc1 ZINC001128496519 1086015981 /nfs/dbraw/zinc/01/59/81/1086015981.db2.gz XRUMOJTWWCJICI-UHFFFAOYSA-N 0 3 308.341 2.152 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC000962357106 1086079154 /nfs/dbraw/zinc/07/91/54/1086079154.db2.gz QEGRUCSCOUYORK-QWFMPGPPSA-N 0 3 309.413 2.343 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(CCC)nc1C ZINC000962533544 1086153803 /nfs/dbraw/zinc/15/38/03/1086153803.db2.gz BSXJSRGHXSAKDW-IMRBUKKESA-N 0 3 305.447 2.250 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2cccc(F)c2o1 ZINC000962654089 1086194701 /nfs/dbraw/zinc/19/47/01/1086194701.db2.gz QBIFFROEPRDEFE-JYAVWHMHSA-N 0 3 300.333 2.418 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1nn(C)c2ccccc12 ZINC001273131181 1086301855 /nfs/dbraw/zinc/30/18/55/1086301855.db2.gz NXJXBAUBXPMYBJ-GFCCVEGCSA-N 0 3 320.824 2.424 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001128851555 1086418573 /nfs/dbraw/zinc/41/85/73/1086418573.db2.gz 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2.462 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3ccccc3)c2)C1 ZINC001080072933 1088605090 /nfs/dbraw/zinc/60/50/90/1088605090.db2.gz XWFIJHCUMYMJRU-CRAIPNDOSA-N 0 3 324.428 2.499 20 30 DEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001080192998 1088669723 /nfs/dbraw/zinc/66/97/23/1088669723.db2.gz WRULEYHDRNSAON-NXEZZACHSA-N 0 3 317.311 2.320 20 30 DEEDHN COc1cc(CN2CCC(C3OCCO3)CC2)ccc1C#N ZINC000718978809 1088745745 /nfs/dbraw/zinc/74/57/45/1088745745.db2.gz FLDHTEBEGJRFGK-UHFFFAOYSA-N 0 3 302.374 2.152 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001080324771 1088802086 /nfs/dbraw/zinc/80/20/86/1088802086.db2.gz CEAYCALNQXSHCI-CXAGYDPISA-N 0 3 312.417 2.118 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(COC)c2)C1 ZINC001080413726 1088920081 /nfs/dbraw/zinc/92/00/81/1088920081.db2.gz NGYCGCNREJGZAJ-CXAGYDPISA-N 0 3 318.392 2.046 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccccc1F ZINC001114836157 1088974180 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DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2nsc3ccccc23)C1 ZINC001080985167 1089281987 /nfs/dbraw/zinc/28/19/87/1089281987.db2.gz HSMOFMOVGSNLGR-IUODEOHRSA-N 0 3 315.442 2.461 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@H]1c1ccccc1 ZINC001081085794 1089338212 /nfs/dbraw/zinc/33/82/12/1089338212.db2.gz PWVJGQAMUYXGJV-ZWKOTPCHSA-N 0 3 321.424 2.165 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)n2cccc2)C[C@H]1c1ccccc1 ZINC001081107961 1089354866 /nfs/dbraw/zinc/35/48/66/1089354866.db2.gz MUGCMXPJGDTRAT-YTQUADARSA-N 0 3 321.424 2.267 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001081347836 1089401082 /nfs/dbraw/zinc/40/10/82/1089401082.db2.gz DWDHLMAJVRPQDQ-HZPDHXFCSA-N 0 3 306.406 2.292 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C)cs2)[C@H](OC)C1 ZINC001081639157 1089432045 /nfs/dbraw/zinc/43/20/45/1089432045.db2.gz GCCAYWMRLGPXPI-ZIAGYGMSSA-N 0 3 308.447 2.452 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C23CCC(CC2)C3)[C@H](OC)C1 ZINC001081857748 1089524644 /nfs/dbraw/zinc/52/46/44/1089524644.db2.gz AFIOSNFQYYOBCU-GARNVTTQSA-N 0 3 306.450 2.348 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000959896227 1089834291 /nfs/dbraw/zinc/83/42/91/1089834291.db2.gz YZYYXOBTHQDSPJ-INIZCTEOSA-N 0 3 323.400 2.066 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@H](OC)C1 ZINC001082376139 1089889824 /nfs/dbraw/zinc/88/98/24/1089889824.db2.gz FHKKNNRKJRDBAC-KBRIMQKVSA-N 0 3 320.408 2.321 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CSC ZINC001098888179 1090096524 /nfs/dbraw/zinc/09/65/24/1090096524.db2.gz KWZOXBFWPMMGDH-AWEZNQCLSA-N 0 3 314.495 2.159 20 30 DEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCc3ccco3)[C@H]2C1 ZINC001082997875 1090138364 /nfs/dbraw/zinc/13/83/64/1090138364.db2.gz OWDRGNCKCOGBOX-DLBZAZTESA-N 0 3 318.417 2.090 20 30 DEEDHN C=CCN1CC[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3CC)[C@@H]2C1 ZINC001084356068 1090275335 /nfs/dbraw/zinc/27/53/35/1090275335.db2.gz YAIPGANAKGZEQS-ARFHVFGLSA-N 0 3 316.449 2.115 20 30 DEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3onc(C)c3C)[C@@H]2C1 ZINC001084437346 1090301155 /nfs/dbraw/zinc/30/11/55/1090301155.db2.gz OYFUVTDRRVPCAU-HUUCEWRRSA-N 0 3 303.406 2.404 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CC(C)(C)CO3)[C@@H]2C1 ZINC001084512999 1090319116 /nfs/dbraw/zinc/31/91/16/1090319116.db2.gz LWIPWMVYZSUVOS-BZUAXINKSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(F)c(C)c3)[C@@H]2C1 ZINC001084623439 1090354770 /nfs/dbraw/zinc/35/47/70/1090354770.db2.gz GPDPNIWIFPMYGQ-NVXWUHKLSA-N 0 3 300.377 2.304 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(C[C@@H](C)OC)C[C@H]32)CC1 ZINC001084634499 1090357380 /nfs/dbraw/zinc/35/73/80/1090357380.db2.gz UFALZGMYGDXVDR-DJIMGWMZSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC001084686600 1090391722 /nfs/dbraw/zinc/39/17/22/1090391722.db2.gz MOSZFFCEQCGCRG-SJLPKXTDSA-N 0 3 307.397 2.338 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4ccccc4C3)[C@@H]2C1 ZINC001084685427 1090392598 /nfs/dbraw/zinc/39/25/98/1090392598.db2.gz FUSKKSRXRFYPPZ-VAMGGRTRSA-N 0 3 322.452 2.348 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)[C@@H]2C1 ZINC001084706753 1090402926 /nfs/dbraw/zinc/40/29/26/1090402926.db2.gz LOWBGFLDVZOTBS-HKUYMTLNSA-N 0 3 320.436 2.128 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3cncnc3)C2)C1=O ZINC001273230988 1090437133 /nfs/dbraw/zinc/43/71/33/1090437133.db2.gz QMJSZQRMXFLICD-IBGZPJMESA-N 0 3 320.396 2.153 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)n1cccn1 ZINC001098916958 1090449545 /nfs/dbraw/zinc/44/95/45/1090449545.db2.gz VTGNJCBEURAPOL-HZPDHXFCSA-N 0 3 316.449 2.074 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccc4c[nH]nc4c3)[C@@H]2C1 ZINC001084804701 1090452493 /nfs/dbraw/zinc/45/24/93/1090452493.db2.gz DREMWRWHAVFYAP-SJLPKXTDSA-N 0 3 324.428 2.214 20 30 DEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccon1 ZINC001098928154 1090521439 /nfs/dbraw/zinc/52/14/39/1090521439.db2.gz UDZGQQCDIDQBDY-CQSZACIVSA-N 0 3 321.421 2.098 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C[C@@H]21 ZINC001085018707 1090593274 /nfs/dbraw/zinc/59/32/74/1090593274.db2.gz LQZVYPMOBQSJLZ-PVAVHDDUSA-N 0 3 311.429 2.220 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCOCC1 ZINC001085116131 1090658399 /nfs/dbraw/zinc/65/83/99/1090658399.db2.gz XVHDCBNIALOGHY-ZIAGYGMSSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCN1c2ccccc2[C@@]2(CCN(Cc3cccnn3)C2)C1=O ZINC001273269225 1090674026 /nfs/dbraw/zinc/67/40/26/1090674026.db2.gz VPGHWLMRTWHKOX-IBGZPJMESA-N 0 3 320.396 2.153 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001065969621 1090938101 /nfs/dbraw/zinc/93/81/01/1090938101.db2.gz YMXYPHCIMDKQLB-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(CC=C)c1[O-] ZINC001273360887 1091090497 /nfs/dbraw/zinc/09/04/97/1091090497.db2.gz XHRRFAAXKQWTAA-QZTJIDSGSA-N 0 3 324.424 2.319 20 30 DEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(CC=C)c1[O-] ZINC001273360887 1091090502 /nfs/dbraw/zinc/09/05/02/1091090502.db2.gz XHRRFAAXKQWTAA-QZTJIDSGSA-N 0 3 324.424 2.319 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)C=C3CCC3)C2)CC1 ZINC001273374090 1091109609 /nfs/dbraw/zinc/10/96/09/1091109609.db2.gz HHTGIGICFLITOP-GOSISDBHSA-N 0 3 317.477 2.281 20 30 DEEDHN C=CCCCCCN1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1 ZINC001276035048 1091133556 /nfs/dbraw/zinc/13/35/56/1091133556.db2.gz CUDLIMITOOALHK-CALCHBBNSA-N 0 3 304.438 2.041 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001274420720 1091235272 /nfs/dbraw/zinc/23/52/72/1091235272.db2.gz DKNFBAYPLWSRBP-ARJAWSKDSA-N 0 3 300.377 2.044 20 30 DEEDHN C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3ccns3)C2)C1=O ZINC001274504118 1091274224 /nfs/dbraw/zinc/27/42/24/1091274224.db2.gz UJXPDWNQRCGEDB-INIZCTEOSA-N 0 3 319.430 2.060 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(Cl)n[nH]c1CC ZINC001320444578 1091300004 /nfs/dbraw/zinc/30/00/04/1091300004.db2.gz ANZIESBQJFKEGT-SECBINFHSA-N 0 3 319.236 2.476 20 30 DEEDHN Cc1ncc(CNC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C)s1 ZINC001411206290 1091416935 /nfs/dbraw/zinc/41/69/35/1091416935.db2.gz GWBANZKTLCJGCQ-MFKMUULPSA-N 0 3 308.451 2.232 20 30 DEEDHN N#Cc1cccc(CN2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)n1 ZINC001274794267 1091421850 /nfs/dbraw/zinc/42/18/50/1091421850.db2.gz ZBKLBZPZLVLAID-LJQANCHMSA-N 0 3 324.428 2.320 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2ccoc2C2CC2)CC1 ZINC001274923830 1091474258 /nfs/dbraw/zinc/47/42/58/1091474258.db2.gz LIYXJPCLOOBHRM-UHFFFAOYSA-N 0 3 318.417 2.290 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001274936828 1091481041 /nfs/dbraw/zinc/48/10/41/1091481041.db2.gz RRNUBUCHRJPEFR-HNNXBMFYSA-N 0 3 306.450 2.086 20 30 DEEDHN C=CCCCN1CC2(C1)CN(C(=O)c1cccc3nc[nH]c31)C2 ZINC001274963005 1091490344 /nfs/dbraw/zinc/49/03/44/1091490344.db2.gz ZUAXCOYZIYSSDL-UHFFFAOYSA-N 0 3 310.401 2.287 20 30 DEEDHN Cc1ccncc1CNC[C@@H](C)NC(=O)CC#Cc1ccccc1 ZINC001275030428 1091519945 /nfs/dbraw/zinc/51/99/45/1091519945.db2.gz UTCFETBZQNQPNV-QGZVFWFLSA-N 0 3 321.424 2.426 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)C1CC=CC1 ZINC001275105686 1091558623 /nfs/dbraw/zinc/55/86/23/1091558623.db2.gz XCXJPDITXDNWAA-LBPRGKRZSA-N 0 3 301.365 2.258 20 30 DEEDHN CCCCCCN1CC2(C1)CN(C(=O)C1(C#N)CCOCC1)C2 ZINC001275125231 1091567058 /nfs/dbraw/zinc/56/70/58/1091567058.db2.gz MXJPRNSSPPNBJF-UHFFFAOYSA-N 0 3 319.449 2.031 20 30 DEEDHN Cn1cc(CN2C[C@H]3C[C@@H](C2)N(Cc2ccco2)C3)cc1C#N ZINC001275236747 1091631207 /nfs/dbraw/zinc/63/12/07/1091631207.db2.gz ZYTUKYLZPLXTIH-WBVHZDCISA-N 0 3 310.401 2.196 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)Cc1cccc2ccccc21 ZINC001275418019 1091731596 /nfs/dbraw/zinc/73/15/96/1091731596.db2.gz YOEOPHDRXNXVPU-INIZCTEOSA-N 0 3 324.424 2.126 20 30 DEEDHN CN(C)CCc1nc(-c2ccc(Br)cc2C#N)no1 ZINC001247445212 1091777373 /nfs/dbraw/zinc/77/73/73/1091777373.db2.gz BIELTGUTIQNNDB-UHFFFAOYSA-N 0 3 321.178 2.475 20 30 DEEDHN C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC001275503293 1091813293 /nfs/dbraw/zinc/81/32/93/1091813293.db2.gz PWMWROKUYIZKJT-NWDGAFQWSA-N 0 3 314.389 2.008 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC)CCCCC1 ZINC001275570033 1091873637 /nfs/dbraw/zinc/87/36/37/1091873637.db2.gz BFCWXTUGBPEOBV-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)CCc1ccc(N(C)C)cc1 ZINC001273534871 1091908427 /nfs/dbraw/zinc/90/84/27/1091908427.db2.gz MGCRGPJMIFOMRL-UHFFFAOYSA-N 0 3 315.461 2.099 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2ccncc2Cl)CC1 ZINC000948779916 1091932434 /nfs/dbraw/zinc/93/24/34/1091932434.db2.gz XNACVJOFZJZVGP-OAHLLOKOSA-N 0 3 319.836 2.224 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(Cc3cc(F)cc(F)c3C)C2)C1=O ZINC001273590557 1091940511 /nfs/dbraw/zinc/94/05/11/1091940511.db2.gz KUGVZCULEJGEPT-GOSISDBHSA-N 0 3 318.367 2.331 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3cncc(C#N)c3)CC2)C1=O ZINC001273615726 1091957154 /nfs/dbraw/zinc/95/71/54/1091957154.db2.gz ZXOCLAYAPNWWBO-LJQANCHMSA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1C[C@@]2(CCN(Cc3cccc(CC)c3)C2)OCC1=O ZINC001273651649 1091976075 /nfs/dbraw/zinc/97/60/75/1091976075.db2.gz PBBWYGYIBJQMLZ-IBGZPJMESA-N 0 3 314.429 2.238 20 30 DEEDHN C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000948890785 1091985672 /nfs/dbraw/zinc/98/56/72/1091985672.db2.gz SEKPUAGAEHHDCA-KRWDZBQOSA-N 0 3 310.401 2.315 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)CC(C)(C)C)CCO2 ZINC000949027490 1092033083 /nfs/dbraw/zinc/03/30/83/1092033083.db2.gz XHIZZVXXUKKVIT-UHFFFAOYSA-N 0 3 306.450 2.139 20 30 DEEDHN CC(F)(F)C(=O)NC/C=C/CNCc1ccc(OCC#N)cc1 ZINC001273797681 1092055303 /nfs/dbraw/zinc/05/53/03/1092055303.db2.gz DDQNWFJYYRGVJN-NSCUHMNNSA-N 0 3 323.343 2.006 20 30 DEEDHN C=CCCN1CCOC2(CCN(C(=O)c3ccsn3)CC2)C1 ZINC000949391484 1092133426 /nfs/dbraw/zinc/13/34/26/1092133426.db2.gz DHMMAXZGHYIAFG-UHFFFAOYSA-N 0 3 321.446 2.026 20 30 DEEDHN C#CCN1c2ccccc2[C@]2(CCN(Cc3cc(C)no3)C2)C1=O ZINC001273817938 1092163973 /nfs/dbraw/zinc/16/39/73/1092163973.db2.gz DWHFXNFPNQPDRL-LJQANCHMSA-N 0 3 321.380 2.107 20 30 DEEDHN C=CCCC(=O)N[C@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001487787246 1092212723 /nfs/dbraw/zinc/21/27/23/1092212723.db2.gz RBSZZHREODFCPX-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cc(F)ccc1F ZINC001275849067 1092224809 /nfs/dbraw/zinc/22/48/09/1092224809.db2.gz ADCJFPGNDSFFCT-LBPRGKRZSA-N 0 3 312.360 2.218 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1CCn1nc(C)cc1C ZINC001493124034 1092253651 /nfs/dbraw/zinc/25/36/51/1092253651.db2.gz NDGVDTVNDUOGRI-MRXNPFEDSA-N 0 3 318.465 2.293 20 30 DEEDHN CCC[C@@H](C)C(=O)N1CCC[C@]2(CCN(CC#CCOC)C2)C1 ZINC001273831516 1092268080 /nfs/dbraw/zinc/26/80/80/1092268080.db2.gz AVLPDQJODMAGIK-IEBWSBKVSA-N 0 3 320.477 2.387 20 30 DEEDHN CC(C)C(=O)NC/C=C/CNCc1ccc(OCC#N)cc1 ZINC001273861099 1092450750 /nfs/dbraw/zinc/45/07/50/1092450750.db2.gz LFXJGOZBZGJGHJ-ONEGZZNKSA-N 0 3 301.390 2.007 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)CN(C)CCC)[C@@H]1C ZINC001488265123 1092460392 /nfs/dbraw/zinc/46/03/92/1092460392.db2.gz AAOXCVIBLGZRLP-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001276001976 1092480765 /nfs/dbraw/zinc/48/07/65/1092480765.db2.gz IVHBTVKAJSTHNX-WMLDXEAASA-N 0 3 302.418 2.229 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001488852171 1092781681 /nfs/dbraw/zinc/78/16/81/1092781681.db2.gz VOWGWDPTLJTBML-IIDMSEBBSA-N 0 3 316.449 2.372 20 30 DEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CCCC(C)=O)C2)CC1 ZINC001488974299 1092858258 /nfs/dbraw/zinc/85/82/58/1092858258.db2.gz RFWDENIRGKPMFN-INIZCTEOSA-N 0 3 318.461 2.472 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccnn1C ZINC001489044517 1092882143 /nfs/dbraw/zinc/88/21/43/1092882143.db2.gz XBQVSXOKCUXTFK-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)COCCCC ZINC001489081614 1092906495 /nfs/dbraw/zinc/90/64/95/1092906495.db2.gz KLQXSIAWZJKPJK-HYVNUMGLSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCCCN(C(=O)C(C)(C)C)C1 ZINC001489240630 1093000559 /nfs/dbraw/zinc/00/05/59/1093000559.db2.gz PFVCJUCMDWOGRG-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001489333767 1093025597 /nfs/dbraw/zinc/02/55/97/1093025597.db2.gz TYJXSFJLHDTYGU-HNNXBMFYSA-N 0 3 313.873 2.148 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCCn1cccn1 ZINC001489333781 1093025745 /nfs/dbraw/zinc/02/57/45/1093025745.db2.gz UTRLOXKBJKCQRI-INIZCTEOSA-N 0 3 304.438 2.162 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnn2ccc(C)cc12)C1CC1 ZINC001490376427 1093332225 /nfs/dbraw/zinc/33/22/25/1093332225.db2.gz LLVATXCDVRLDSS-UHFFFAOYSA-N 0 3 324.428 2.250 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cnc2[nH]ccc2c1)C1CC1 ZINC001490376819 1093333190 /nfs/dbraw/zinc/33/31/90/1093333190.db2.gz PVUGHJUYHPKAQH-UHFFFAOYSA-N 0 3 310.401 2.122 20 30 DEEDHN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001490454298 1093393316 /nfs/dbraw/zinc/39/33/16/1093393316.db2.gz GXULHPDBDQVVMV-GJZGRUSLSA-N 0 3 317.433 2.232 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001490553640 1093414956 /nfs/dbraw/zinc/41/49/56/1093414956.db2.gz WORYANFQQZLZEZ-VVLHAWIVSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001490586843 1093432180 /nfs/dbraw/zinc/43/21/80/1093432180.db2.gz KKWCETBNPMTLPF-LBPRGKRZSA-N 0 3 320.355 2.112 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CCc2ccoc2)CC1 ZINC001490593614 1093435224 /nfs/dbraw/zinc/43/52/24/1093435224.db2.gz OVNKKADLHIGKMQ-MRXNPFEDSA-N 0 3 300.402 2.206 20 30 DEEDHN Cc1ocnc1C(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001274171671 1093833685 /nfs/dbraw/zinc/83/36/85/1093833685.db2.gz ISMITVKEZADMQF-PBHICJAKSA-N 0 3 323.396 2.085 20 30 DEEDHN N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3occc3[S-])C2)C1=O ZINC001274177997 1093837562 /nfs/dbraw/zinc/83/75/62/1093837562.db2.gz NCXNKBMLPRHBCX-MRXNPFEDSA-N 0 3 319.430 2.296 20 30 DEEDHN N#CCCCN1CC[C@@]2(CC[N@H+](Cc3occc3[S-])C2)C1=O ZINC001274177997 1093837567 /nfs/dbraw/zinc/83/75/67/1093837567.db2.gz NCXNKBMLPRHBCX-MRXNPFEDSA-N 0 3 319.430 2.296 20 30 DEEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)cc2CO)C[C@H](C)O1 ZINC001351987917 1151644863 /nfs/dbraw/zinc/64/48/63/1151644863.db2.gz SXBTWCTWAXZTBK-GASCZTMLSA-N 0 3 317.433 2.352 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001480196253 1151712700 /nfs/dbraw/zinc/71/27/00/1151712700.db2.gz JPZUSVZSWJIPJQ-QWCJWFIWSA-N 0 3 313.239 2.488 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1c(C)nn(C(C)C)c1C ZINC001277987690 1138381998 /nfs/dbraw/zinc/38/19/98/1138381998.db2.gz JLODBNQYWDCIBW-AWEZNQCLSA-N 0 3 318.465 2.083 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COc1c(C)cccc1C ZINC001278010623 1138428280 /nfs/dbraw/zinc/42/82/80/1138428280.db2.gz VOLDBVMRYNGDER-MRXNPFEDSA-N 0 3 302.418 2.142 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)COc1ccc2c(c1)CCC2 ZINC001278010699 1138428808 /nfs/dbraw/zinc/42/88/08/1138428808.db2.gz WZZPDTYLFHLHJF-OAHLLOKOSA-N 0 3 314.429 2.014 20 30 DEEDHN N#Cc1cc(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)ccn1 ZINC001237465306 1138643697 /nfs/dbraw/zinc/64/36/97/1138643697.db2.gz IAIKEZFBBMIYIX-DLBZAZTESA-N 0 3 302.397 2.352 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCCO1)C1CCN(CC(=C)C)CC1 ZINC001278121696 1138715337 /nfs/dbraw/zinc/71/53/37/1138715337.db2.gz JTULBUSJXSXXMR-QGZVFWFLSA-N 0 3 304.434 2.058 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3occc3OC)C2)C1=O ZINC001237866612 1138806604 /nfs/dbraw/zinc/80/66/04/1138806604.db2.gz RRICUWUETWSFHX-QGZVFWFLSA-N 0 3 304.390 2.289 20 30 DEEDHN C=CCN[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001278171723 1138813421 /nfs/dbraw/zinc/81/34/21/1138813421.db2.gz LAZANQSPHJBIBT-CEXWTWQISA-N 0 3 324.424 2.196 20 30 DEEDHN C#CCN(C(=O)c1cnn(C(C)C)c1)C1CCN(CC=C)CC1 ZINC001278194305 1138826212 /nfs/dbraw/zinc/82/62/12/1138826212.db2.gz JYLAKMGHXPHNCG-UHFFFAOYSA-N 0 3 314.433 2.190 20 30 DEEDHN O=C(C#CC1CC1)N[C@@H](CNCc1cncs1)C1CCCC1 ZINC001278240572 1138852696 /nfs/dbraw/zinc/85/26/96/1138852696.db2.gz CLUFMZNTFQEWDE-INIZCTEOSA-N 0 3 317.458 2.321 20 30 DEEDHN C[C@@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)c1cc[nH]c1 ZINC001278265612 1138865546 /nfs/dbraw/zinc/86/55/46/1138865546.db2.gz YGHZOWXVLMDMPE-QAPCUYQASA-N 0 3 307.397 2.259 20 30 DEEDHN CCn1nccc1-c1nc2ccccc2nc1C(C#N)C(=O)OC ZINC001240694902 1139522090 /nfs/dbraw/zinc/52/20/90/1139522090.db2.gz PJSHDHDFCDSCPY-NSHDSACASA-N 0 3 321.340 2.293 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001296223464 1139726726 /nfs/dbraw/zinc/72/67/26/1139726726.db2.gz SLBMRXNIBPZTNV-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001297372803 1139864702 /nfs/dbraw/zinc/86/47/02/1139864702.db2.gz FOMPEINKRIMEIK-UHFFFAOYSA-N 0 3 305.422 2.320 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001297530602 1139876040 /nfs/dbraw/zinc/87/60/40/1139876040.db2.gz WVPVWRPQPIAPOQ-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(C#CC1CC1)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001491800066 1140314496 /nfs/dbraw/zinc/31/44/96/1140314496.db2.gz DMYOHHLRTQNCKB-ALFJJAPYSA-N 0 3 301.217 2.157 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1cc(CO)ccc1F ZINC001319508806 1140604696 /nfs/dbraw/zinc/60/46/96/1140604696.db2.gz DGSKGQITEWCJRN-ZDUSSCGKSA-N 0 3 322.424 2.467 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCC(=O)N1CCCC[C@H]1C ZINC001319512102 1140606107 /nfs/dbraw/zinc/60/61/07/1140606107.db2.gz VDOFNTYTDXDMAK-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCC(=O)N1CCCCC1 ZINC001319516253 1140608223 /nfs/dbraw/zinc/60/82/23/1140608223.db2.gz WFKSYVABRZXYHQ-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccn1 ZINC001319835251 1140752971 /nfs/dbraw/zinc/75/29/71/1140752971.db2.gz JUUPNKACAIFQFA-DOTOQJQBSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C(C)CCC(=O)NC[C@@H](O)CN[C@@H](C)c1ccccc1F ZINC001320226687 1140839516 /nfs/dbraw/zinc/83/95/16/1140839516.db2.gz FNCZRUHDBYLXAQ-KBPBESRZSA-N 0 3 308.397 2.310 20 30 DEEDHN C=C[C@@H](COC)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001320311068 1140847130 /nfs/dbraw/zinc/84/71/30/1140847130.db2.gz BBQNDDJMKDENNP-KBPBESRZSA-N 0 3 323.462 2.385 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1ccc(Cl)c(C)c1 ZINC001320830385 1140943283 /nfs/dbraw/zinc/94/32/83/1140943283.db2.gz NODPFVXRCHBQBR-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1scnc1C1CCCC1 ZINC001321142521 1141064952 /nfs/dbraw/zinc/06/49/52/1141064952.db2.gz UEISOXFBHQUEFP-AATRIKPKSA-N 0 3 303.431 2.310 20 30 DEEDHN COCC#CCNC/C=C/CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001321173493 1141075362 /nfs/dbraw/zinc/07/53/62/1141075362.db2.gz GFJCKJBTQFOXMU-UBZMYNMCSA-N 0 3 318.461 2.115 20 30 DEEDHN CC(C)[C@H](F)C(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001321201466 1141083327 /nfs/dbraw/zinc/08/33/27/1141083327.db2.gz WUNKUBIUUTXVLU-CWDCEQMOSA-N 0 3 321.371 2.453 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)C1(c2cccc(OC)c2)CC1 ZINC001321270124 1141110473 /nfs/dbraw/zinc/11/04/73/1141110473.db2.gz HGDFETFSCOVCJO-WAYWQWQTSA-N 0 3 312.413 2.012 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001321443187 1141257769 /nfs/dbraw/zinc/25/77/69/1141257769.db2.gz JHACQMCJJBZZGS-BBVFFXRHSA-N 0 3 314.429 2.438 20 30 DEEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C1(CCF)CC1 ZINC001321599447 1141313784 /nfs/dbraw/zinc/31/37/84/1141313784.db2.gz DBHNEWLEACYASN-OAHLLOKOSA-N 0 3 302.393 2.272 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CNCc1cc(C#N)ccc1OC ZINC001321800328 1141345094 /nfs/dbraw/zinc/34/50/94/1141345094.db2.gz BSOSSVCQFNYQQK-ZDUSSCGKSA-N 0 3 301.390 2.127 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)C(C)(C)c1ccccc1C ZINC001322099921 1141393406 /nfs/dbraw/zinc/39/34/06/1141393406.db2.gz SGTOOWQRABRROG-INIZCTEOSA-N 0 3 316.445 2.017 20 30 DEEDHN C[C@@H](CN(C)CCc1ccccc1F)NC(=O)CSCC#N ZINC001322117284 1141395680 /nfs/dbraw/zinc/39/56/80/1141395680.db2.gz TVGLEIQJNYMVBK-ZDUSSCGKSA-N 0 3 323.437 2.061 20 30 DEEDHN C=CCN1CC[C@@H](N(C)[C@H](C)Cc2ccc(OC)cc2)C1=O ZINC001322590922 1141638369 /nfs/dbraw/zinc/63/83/69/1141638369.db2.gz XGWNLERAULNTRQ-RHSMWYFYSA-N 0 3 302.418 2.345 20 30 DEEDHN C=CC[C@H](N)c1nc(-c2ccc(N3CCN(C)CC3)cc2)no1 ZINC001247967717 1141653511 /nfs/dbraw/zinc/65/35/11/1141653511.db2.gz QLQSVGXKQMLYNO-HNNXBMFYSA-N 0 3 313.405 2.064 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCCNCc1cc(OC)ccn1 ZINC001322642424 1141662790 /nfs/dbraw/zinc/66/27/90/1141662790.db2.gz ZPAUHUNFOYWKDC-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN N#Cc1cc(N2CCN[C@@H](c3ccccc3)C2)nc(C2CC2)n1 ZINC001413908412 1141792406 /nfs/dbraw/zinc/79/24/06/1141792406.db2.gz JEMWMXMDIWNRFT-MRXNPFEDSA-N 0 3 305.385 2.377 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001323321396 1141841666 /nfs/dbraw/zinc/84/16/66/1141841666.db2.gz YNFRGFZHXBFLMU-OAHLLOKOSA-N 0 3 300.406 2.124 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001323405607 1141850532 /nfs/dbraw/zinc/85/05/32/1141850532.db2.gz KAGFWURWWOMXEC-LBPRGKRZSA-N 0 3 324.371 2.467 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001323749158 1141883484 /nfs/dbraw/zinc/88/34/84/1141883484.db2.gz QTQZMRDIPGFZIA-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](CC(C)C)OC)C2)CC1 ZINC001323832213 1141891269 /nfs/dbraw/zinc/89/12/69/1141891269.db2.gz LRIUBOJELHRTFT-QGZVFWFLSA-N 0 3 320.477 2.385 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2nccn2C)C[C@H]1C ZINC001324069046 1141998635 /nfs/dbraw/zinc/99/86/35/1141998635.db2.gz XSDCSEBYIGKBMO-CABCVRRESA-N 0 3 318.465 2.492 20 30 DEEDHN N#Cc1cccc(CN2CCC3(CCCNC3=O)CC2)c1F ZINC001249687583 1142008987 /nfs/dbraw/zinc/00/89/87/1142008987.db2.gz JVNXASCATUIXQW-UHFFFAOYSA-N 0 3 301.365 2.190 20 30 DEEDHN C=CCN1CCC(C)(NC(=O)Cc2cccc(OCC)n2)CC1 ZINC001324322244 1142056303 /nfs/dbraw/zinc/05/63/03/1142056303.db2.gz KOEPYFPQBRWJKT-UHFFFAOYSA-N 0 3 317.433 2.180 20 30 DEEDHN N#Cc1cccc(CNC[C@H](O)COc2ccc(F)cc2F)c1 ZINC001250837609 1142332016 /nfs/dbraw/zinc/33/20/16/1142332016.db2.gz GKKSMBOXBIXYIW-HNNXBMFYSA-N 0 3 318.323 2.366 20 30 DEEDHN CCN1CCN([C@H](C)CNc2cc(C#N)cc(Cl)n2)CC1 ZINC001336461106 1142478510 /nfs/dbraw/zinc/47/85/10/1142478510.db2.gz GXMWUWPXJDZDLT-GFCCVEGCSA-N 0 3 307.829 2.045 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1cc(C#N)cc(Cl)n1 ZINC001336608568 1142512992 /nfs/dbraw/zinc/51/29/92/1142512992.db2.gz GHDOZNUHDZCHHF-GFCCVEGCSA-N 0 3 320.824 2.296 20 30 DEEDHN C#CCOC[C@H](O)CN[C@H](c1ccccc1)c1ccc(O)cc1 ZINC001251893451 1142535065 /nfs/dbraw/zinc/53/50/65/1142535065.db2.gz DXPPOBVWVOXHHQ-RTBURBONSA-N 0 3 311.381 2.082 20 30 DEEDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCN1C1CCCC1 ZINC001336713304 1142541996 /nfs/dbraw/zinc/54/19/96/1142541996.db2.gz UTXZXJHMXOUVLM-LBPRGKRZSA-N 0 3 315.377 2.315 20 30 DEEDHN CCCCCCCC[C@H](O)CNCC(=O)CCC(=O)OC ZINC001252133997 1142652405 /nfs/dbraw/zinc/65/24/05/1142652405.db2.gz NEHWZLXUHWECPU-AWEZNQCLSA-N 0 3 301.427 2.210 20 30 DEEDHN N#Cc1csc(CNC[C@@H](O)COCc2ccccc2)c1 ZINC001252305850 1142680073 /nfs/dbraw/zinc/68/00/73/1142680073.db2.gz BTJZFEIQKADJHM-OAHLLOKOSA-N 0 3 302.399 2.287 20 30 DEEDHN C=CCOC[C@@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001252471708 1142724893 /nfs/dbraw/zinc/72/48/93/1142724893.db2.gz GWXBSXOUPAMGSC-LMMKCTJWSA-N 0 3 318.461 2.145 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001252596214 1142776354 /nfs/dbraw/zinc/77/63/54/1142776354.db2.gz OQLKPMRRCDPOGR-DFGXFYAUSA-N 0 3 318.417 2.019 20 30 DEEDHN C=CCC[C@@H](O)CN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001252602603 1142785025 /nfs/dbraw/zinc/78/50/25/1142785025.db2.gz CUDCFDAUELETJC-CQSZACIVSA-N 0 3 309.406 2.471 20 30 DEEDHN C=CCC[C@H](O)CN[C@@H](CC(=O)OC)c1cccc(OC)c1 ZINC001252622060 1142791673 /nfs/dbraw/zinc/79/16/73/1142791673.db2.gz NNTIORZPAOIQSF-HOCLYGCPSA-N 0 3 307.390 2.216 20 30 DEEDHN C=CCC[C@@H](O)CNCc1cncn1Cc1ccc(F)cc1 ZINC001252622403 1142795695 /nfs/dbraw/zinc/79/56/95/1142795695.db2.gz UFCGAKBAQHHEKD-QGZVFWFLSA-N 0 3 303.381 2.487 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc3cccnn32)C1 ZINC001278681445 1142814796 /nfs/dbraw/zinc/81/47/96/1142814796.db2.gz FRLWFQOKBFJFAZ-IBGZPJMESA-N 0 3 324.428 2.190 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001278682025 1142815179 /nfs/dbraw/zinc/81/51/79/1142815179.db2.gz QDQIWZHVIHAEPT-WBVHZDCISA-N 0 3 304.438 2.239 20 30 DEEDHN C=C(C)c1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC001338222821 1142839693 /nfs/dbraw/zinc/83/96/93/1142839693.db2.gz WIDRWDRCVGFZKH-INIZCTEOSA-N 0 3 315.417 2.211 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC001339892650 1143166202 /nfs/dbraw/zinc/16/62/02/1143166202.db2.gz IHXSEGRERULHQM-KRWDZBQOSA-N 0 3 315.417 2.468 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC001339968486 1143209416 /nfs/dbraw/zinc/20/94/16/1143209416.db2.gz HYNOLYNRMVUMPA-CYBMUJFWSA-N 0 3 322.405 2.359 20 30 DEEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccc(C(N)=O)cc3)CC2)C1 ZINC001254673842 1143309375 /nfs/dbraw/zinc/30/93/75/1143309375.db2.gz PZDWQGRDYZIQOM-ZFWWWQNUSA-N 0 3 313.401 2.321 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2cccc(C)c2C)C1 ZINC001278821731 1143349286 /nfs/dbraw/zinc/34/92/86/1143349286.db2.gz NKMPEOTYBAZYJS-GOSISDBHSA-N 0 3 302.418 2.046 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001340567768 1143373034 /nfs/dbraw/zinc/37/30/34/1143373034.db2.gz IPDUBHBCVAOTFD-KFWWJZLASA-N 0 3 315.465 2.366 20 30 DEEDHN N#Cc1cccc(N2CCN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)c1 ZINC001254962039 1143373829 /nfs/dbraw/zinc/37/38/29/1143373829.db2.gz ZUHRGTKBUHWBJQ-HOTGVXAUSA-N 0 3 309.413 2.438 20 30 DEEDHN CC[C@H](CC#N)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001255154854 1143448931 /nfs/dbraw/zinc/44/89/31/1143448931.db2.gz HBEROEMMQKZSDI-GOSISDBHSA-N 0 3 300.450 2.216 20 30 DEEDHN CC[C@H](CC#N)NCC1CCN(C(=O)c2ccccn2)CC1 ZINC001255160405 1143453023 /nfs/dbraw/zinc/45/30/23/1143453023.db2.gz JKTUDZIAFXCLNH-OAHLLOKOSA-N 0 3 300.406 2.216 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCOCC2)C1 ZINC001341370041 1143591132 /nfs/dbraw/zinc/59/11/32/1143591132.db2.gz CSSRFBYLRNVVNX-JKSUJKDBSA-N 0 3 307.438 2.063 20 30 DEEDHN CCCCOCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC001341786760 1143705624 /nfs/dbraw/zinc/70/56/24/1143705624.db2.gz IPMKHAJKTUZZNE-CQSZACIVSA-N 0 3 304.346 2.159 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC001342199744 1143802969 /nfs/dbraw/zinc/80/29/69/1143802969.db2.gz QAKBAPZNTHGZCO-CQSZACIVSA-N 0 3 302.422 2.168 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001342301551 1143810198 /nfs/dbraw/zinc/81/01/98/1143810198.db2.gz OBJPVRHTEVVELI-HZPDHXFCSA-N 0 3 306.381 2.489 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001342430872 1143817622 /nfs/dbraw/zinc/81/76/22/1143817622.db2.gz FSSPEOSWYQJDCK-AOIWGVFYSA-N 0 3 314.429 2.097 20 30 DEEDHN C=CCN(C)CCN(C(=O)C[C@H](C)c1cnn(C)c1)C(C)C ZINC001278915668 1143832079 /nfs/dbraw/zinc/83/20/79/1143832079.db2.gz YPRMLSVKABPBLV-HNNXBMFYSA-N 0 3 306.454 2.269 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC001278922652 1143838970 /nfs/dbraw/zinc/83/89/70/1143838970.db2.gz UDIPYUOWVVMZEM-CVEARBPZSA-N 0 3 323.481 2.023 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cnn2cc[nH]c12)C(C)C ZINC001278926719 1143841453 /nfs/dbraw/zinc/84/14/53/1143841453.db2.gz WJBDGRHTJGGZDB-UHFFFAOYSA-N 0 3 303.410 2.021 20 30 DEEDHN CCOC1CCC(N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001256444718 1143849220 /nfs/dbraw/zinc/84/92/20/1143849220.db2.gz WJBGNEQKXGPJLJ-UHFFFAOYSA-N 0 3 314.433 2.423 20 30 DEEDHN N#CC1CCC(N2CCN(Cc3ccccc3)[C@H](CO)C2)CC1 ZINC001256964824 1143877096 /nfs/dbraw/zinc/87/70/96/1143877096.db2.gz DNFKOGAFPMNBIB-KVZIAJEVSA-N 0 3 313.445 2.247 20 30 DEEDHN CCC(CC)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001258174486 1143980708 /nfs/dbraw/zinc/98/07/08/1143980708.db2.gz MVPFWJYBMJSDDX-AWEZNQCLSA-N 0 3 321.446 2.099 20 30 DEEDHN CC(C)(C)OCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC001262564710 1144319635 /nfs/dbraw/zinc/31/96/35/1144319635.db2.gz QDLHJKZMQJRRMW-UHFFFAOYSA-N 0 3 324.446 2.127 20 30 DEEDHN CCN1CCCN(c2nc(Br)ccc2C#N)CC1 ZINC001262683881 1144327357 /nfs/dbraw/zinc/32/73/57/1144327357.db2.gz ZPKFEVRMXUWKNO-UHFFFAOYSA-N 0 3 309.211 2.248 20 30 DEEDHN C=CCn1c(CCCC#N)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001262952618 1144344276 /nfs/dbraw/zinc/34/42/76/1144344276.db2.gz YBIMNGGJOOMCCY-LSDHHAIUSA-N 0 3 316.453 2.229 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC001263079021 1144353720 /nfs/dbraw/zinc/35/37/20/1144353720.db2.gz CNALJDFKSDWEGL-AWEZNQCLSA-N 0 3 304.390 2.148 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(N2CCOC2=O)ccc1F ZINC001263078084 1144353841 /nfs/dbraw/zinc/35/38/41/1144353841.db2.gz YCTUUGGADMMASN-CYBMUJFWSA-N 0 3 321.352 2.404 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC001263097524 1144355544 /nfs/dbraw/zinc/35/55/44/1144355544.db2.gz ZYXJVUWGMMCQRL-KRWDZBQOSA-N 0 3 317.433 2.141 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001263102912 1144356222 /nfs/dbraw/zinc/35/62/22/1144356222.db2.gz IKISSXUCARZSJJ-AWEZNQCLSA-N 0 3 303.406 2.162 20 30 DEEDHN C=CCOc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cc1OC ZINC001263201515 1144360795 /nfs/dbraw/zinc/36/07/95/1144360795.db2.gz HFJFIFUCYRDVIR-MGPQQGTHSA-N 0 3 318.417 2.471 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1CC ZINC001263801494 1144395682 /nfs/dbraw/zinc/39/56/82/1144395682.db2.gz MAUUKNJJGKYPGW-OAHLLOKOSA-N 0 3 316.449 2.460 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1=COCCC1 ZINC001263827467 1144404103 /nfs/dbraw/zinc/40/41/03/1144404103.db2.gz FFZGCCSEMNZJOO-IZAXUBKRSA-N 0 3 324.424 2.217 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1C[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001263832263 1144406172 /nfs/dbraw/zinc/40/61/72/1144406172.db2.gz NCEWXUPEGJQCLR-GASCZTMLSA-N 0 3 319.474 2.404 20 30 DEEDHN C=CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001264032393 1144445550 /nfs/dbraw/zinc/44/55/50/1144445550.db2.gz KZTCARPASBFCJZ-RVMIUFBDSA-N 0 3 324.852 2.110 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCc2cncs2)[C@H]1CC ZINC001264063104 1144452442 /nfs/dbraw/zinc/45/24/42/1144452442.db2.gz ZLPMUWPZYLQFML-LSDHHAIUSA-N 0 3 305.447 2.068 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N(CCO)Cc2ccccc2)C1 ZINC001264074556 1144454639 /nfs/dbraw/zinc/45/46/39/1144454639.db2.gz FKHBFPJUKPYGEJ-GOSISDBHSA-N 0 3 316.445 2.438 20 30 DEEDHN C=CCCC(=O)N1CCC(CO[C@@H]2CCN(CC#CC)C2)CC1 ZINC001264113269 1144469026 /nfs/dbraw/zinc/46/90/26/1144469026.db2.gz SAVKGYBCBYGGIU-GOSISDBHSA-N 0 3 318.461 2.305 20 30 DEEDHN CCCCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001264180525 1144496784 /nfs/dbraw/zinc/49/67/84/1144496784.db2.gz HQRJRVNFLSDDCW-HOTGVXAUSA-N 0 3 309.454 2.276 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)CCCOC)CC(C)(C)C1 ZINC001264196687 1144505339 /nfs/dbraw/zinc/50/53/39/1144505339.db2.gz JLNURDKIUVLUSA-HOTGVXAUSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN2CC[C@@H]2CCOC2)C1 ZINC001264370417 1144517173 /nfs/dbraw/zinc/51/71/73/1144517173.db2.gz CCIPVQMXVIQCPR-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(N(C)C)ccn1 ZINC001264382131 1144523816 /nfs/dbraw/zinc/52/38/16/1144523816.db2.gz DWCZZDXKKOVMON-MRXNPFEDSA-N 0 3 316.449 2.260 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](NCc3cncs3)C2)C1 ZINC001264403659 1144529579 /nfs/dbraw/zinc/52/95/79/1144529579.db2.gz VYKSDLQNTDDOBH-BETUJISGSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCCCC(=O)N1CCCCC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001264681621 1144592198 /nfs/dbraw/zinc/59/21/98/1144592198.db2.gz GCLFZZXQBFRPAU-OAHLLOKOSA-N 0 3 319.453 2.330 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnn2c1CCCC2 ZINC001264744033 1144604410 /nfs/dbraw/zinc/60/44/10/1144604410.db2.gz GCFNDGXUUHKHSB-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)C(F)(F)F)CC(C)(C)C1 ZINC001264753691 1144607262 /nfs/dbraw/zinc/60/72/62/1144607262.db2.gz MPQUDMUCUKPFKG-RYUDHWBXSA-N 0 3 304.356 2.425 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1noc2c1CCCCC2 ZINC001265042442 1144631050 /nfs/dbraw/zinc/63/10/50/1144631050.db2.gz ZEMHMUSKIXHOJF-UHFFFAOYSA-N 0 3 303.406 2.019 20 30 DEEDHN C#CCCCC(=O)N(C)C1CCN(CCOCC(C)C)CC1 ZINC001265190000 1144663420 /nfs/dbraw/zinc/66/34/20/1144663420.db2.gz BLQBZMOJAYEYEB-UHFFFAOYSA-N 0 3 308.466 2.385 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)CCc2c(C)noc2Cl)C1 ZINC001265235234 1144674370 /nfs/dbraw/zinc/67/43/70/1144674370.db2.gz LEFQYELDUCAJNI-ZDUSSCGKSA-N 0 3 323.824 2.173 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)c2cccc(F)c2)CC1 ZINC001265238923 1144674967 /nfs/dbraw/zinc/67/49/67/1144674967.db2.gz VLUZMXNAPKPPAR-UHFFFAOYSA-N 0 3 319.424 2.139 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@@H](C)n2cncn2)CC1 ZINC001265337555 1144695846 /nfs/dbraw/zinc/69/58/46/1144695846.db2.gz NMLNWLCFSBPNRI-OAHLLOKOSA-N 0 3 319.453 2.118 20 30 DEEDHN Cc1noc(C)c1CN[C@@H](CNC(=O)C#CC(C)(C)C)C1CC1 ZINC001265355009 1144697611 /nfs/dbraw/zinc/69/76/11/1144697611.db2.gz WXBNVUBVYZVGOF-INIZCTEOSA-N 0 3 317.433 2.325 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](NCc2ccnn2C)C2CC2)CC1 ZINC001265370679 1144699042 /nfs/dbraw/zinc/69/90/42/1144699042.db2.gz VYVQDUZULNBGAH-KRWDZBQOSA-N 0 3 316.449 2.151 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001265582963 1144714887 /nfs/dbraw/zinc/71/48/87/1144714887.db2.gz XUTGQVPJKMXSAM-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H](CN[C@H](C)c2cnccn2)C1 ZINC001265609499 1144717755 /nfs/dbraw/zinc/71/77/55/1144717755.db2.gz QRGBCRDCVBUSHH-CVEARBPZSA-N 0 3 314.433 2.025 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)c1cc2ccccc2s1 ZINC001265796695 1144741960 /nfs/dbraw/zinc/74/19/60/1144741960.db2.gz LQUJISGKFMXEHR-ZDUSSCGKSA-N 0 3 316.426 2.259 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1csc(-c2ccoc2)n1 ZINC001265841845 1144746463 /nfs/dbraw/zinc/74/64/63/1144746463.db2.gz XBCOSCVEYZJSFV-NSHDSACASA-N 0 3 303.387 2.134 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001265937068 1144763543 /nfs/dbraw/zinc/76/35/43/1144763543.db2.gz QXKQFHJFHZPZNY-ZWKOTPCHSA-N 0 3 314.429 2.260 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCc1cc(F)ccc1F ZINC001265978590 1144775314 /nfs/dbraw/zinc/77/53/14/1144775314.db2.gz RMSRIPJNQHXILI-UHFFFAOYSA-N 0 3 308.372 2.359 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC001266119372 1144807537 /nfs/dbraw/zinc/80/75/37/1144807537.db2.gz DAOJPDAHESZQHW-INIZCTEOSA-N 0 3 318.392 2.151 20 30 DEEDHN C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)c1cccc2n[n-]nc21 ZINC001266145954 1144809702 /nfs/dbraw/zinc/80/97/02/1144809702.db2.gz HTBRYIWPHCKSDO-QWHCGFSZSA-N 0 3 315.421 2.411 20 30 DEEDHN C#CCN(CCCNC(=O)CO[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC001266161787 1144810748 /nfs/dbraw/zinc/81/07/48/1144810748.db2.gz GFQGXJJSCOTEEY-NVXWUHKLSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H]1CCO[C@H](C(C)C)C1)C1CC1 ZINC001266169316 1144811373 /nfs/dbraw/zinc/81/13/73/1144811373.db2.gz XGSCNVYJLYQVQE-WBVHZDCISA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)C2(CC=C)CCOCC2)CC1 ZINC001266194919 1144812977 /nfs/dbraw/zinc/81/29/77/1144812977.db2.gz KSYVHKUJNQMYIH-UHFFFAOYSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ccncn2)C1 ZINC001266242407 1144818378 /nfs/dbraw/zinc/81/83/78/1144818378.db2.gz CBTHLYGQPBEGRL-HNNXBMFYSA-N 0 3 302.422 2.417 20 30 DEEDHN C#CC[NH2+]CCN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC001279297642 1144820361 /nfs/dbraw/zinc/82/03/61/1144820361.db2.gz MGWSOSDVOQRMRC-UHFFFAOYSA-N 0 3 308.381 2.257 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)C(F)(F)F ZINC001279311163 1144820565 /nfs/dbraw/zinc/82/05/65/1144820565.db2.gz HPCZJTYLULODRI-ZDUSSCGKSA-N 0 3 312.335 2.436 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CN(Cc3cnoc3C)C[C@H]2C1 ZINC001279388526 1144821863 /nfs/dbraw/zinc/82/18/63/1144821863.db2.gz NTBVYOOCTOWBHL-BHYGNILZSA-N 0 3 317.433 2.476 20 30 DEEDHN CCc1nc(C)c(CNCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001279999652 1144830867 /nfs/dbraw/zinc/83/08/67/1144830867.db2.gz OMDBVIXTKYHBMU-GXTWGEPZSA-N 0 3 318.421 2.033 20 30 DEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001316602717 1144835277 /nfs/dbraw/zinc/83/52/77/1144835277.db2.gz SUAHYACLIFORCT-HNNXBMFYSA-N 0 3 304.438 2.149 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2c[nH]nc2CC)cc1 ZINC001280351018 1144836347 /nfs/dbraw/zinc/83/63/47/1144836347.db2.gz RGVPGIKVTYDMBX-CYBMUJFWSA-N 0 3 310.401 2.186 20 30 DEEDHN CC(C)C#CC(=O)N1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC001280388394 1144837718 /nfs/dbraw/zinc/83/77/18/1144837718.db2.gz VNEYDUCDZNTXQP-UHFFFAOYSA-N 0 3 311.429 2.165 20 30 DEEDHN C#CCNC1(CNC(=O)[C@H]2Cc3c2cccc3Cl)CCC1 ZINC001280546945 1144844744 /nfs/dbraw/zinc/84/47/44/1144844744.db2.gz CXDGNMBWROWWHR-AWEZNQCLSA-N 0 3 302.805 2.241 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC001280882973 1144861239 /nfs/dbraw/zinc/86/12/39/1144861239.db2.gz BAWAKWFCNVBLMU-HNNXBMFYSA-N 0 3 302.418 2.212 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001281293360 1144881068 /nfs/dbraw/zinc/88/10/68/1144881068.db2.gz QGHWGZHUDBYWSR-GOSISDBHSA-N 0 3 302.418 2.354 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1nn(CC)nc1C ZINC001316610348 1144885534 /nfs/dbraw/zinc/88/55/34/1144885534.db2.gz IKBSLKANAHSUEY-ZFWWWQNUSA-N 0 3 319.453 2.107 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001281437175 1144889524 /nfs/dbraw/zinc/88/95/24/1144889524.db2.gz ZDGXMUPFYAMNJB-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN1CCC2(CC1)CN(C(=O)CCCCC)CCO2 ZINC001281776860 1144913741 /nfs/dbraw/zinc/91/37/41/1144913741.db2.gz GTEMFBJKSACZQF-UHFFFAOYSA-N 0 3 306.450 2.283 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)c2cc(C)oc2C)CC1 ZINC001281799604 1144914527 /nfs/dbraw/zinc/91/45/27/1144914527.db2.gz XZRPJYUWMYGATG-UHFFFAOYSA-N 0 3 306.406 2.029 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001281943317 1144921730 /nfs/dbraw/zinc/92/17/30/1144921730.db2.gz YPUMNEFAWDATGT-CYBMUJFWSA-N 0 3 315.373 2.256 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1c(C)nnn1CC ZINC001282191089 1145010402 /nfs/dbraw/zinc/01/04/02/1145010402.db2.gz GDMCSSOFMJIZAH-OLZOCXBDSA-N 0 3 321.469 2.192 20 30 DEEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1ccc(CO)cc1 ZINC001282384409 1145054579 /nfs/dbraw/zinc/05/45/79/1145054579.db2.gz KWRPSGVCJKCHHH-OAHLLOKOSA-N 0 3 316.445 2.165 20 30 DEEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C[C@@H](O)c1ccccc1 ZINC001282383871 1145054673 /nfs/dbraw/zinc/05/46/73/1145054673.db2.gz GELVPHQFXAIXSN-NVXWUHKLSA-N 0 3 316.445 2.206 20 30 DEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)c1cc2ccccn2c1 ZINC001282468006 1145075412 /nfs/dbraw/zinc/07/54/12/1145075412.db2.gz KYPSYBRARNERDE-HNNXBMFYSA-N 0 3 315.417 2.192 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2coc3ccccc23)C1 ZINC001282740033 1145158210 /nfs/dbraw/zinc/15/82/10/1145158210.db2.gz KVHQUVZWCBCQAH-AWEZNQCLSA-N 0 3 310.397 2.435 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1CN(CCOC2CCC2)CC1(C)C ZINC001282801143 1145167776 /nfs/dbraw/zinc/16/77/76/1145167776.db2.gz RRZODTXMMKTAOH-MRXNPFEDSA-N 0 3 306.450 2.186 20 30 DEEDHN Cn1ccc(C2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)n1 ZINC001364498734 1145300431 /nfs/dbraw/zinc/30/04/31/1145300431.db2.gz JUHWVAATTXQALG-GOSISDBHSA-N 0 3 310.401 2.205 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001283238075 1145329740 /nfs/dbraw/zinc/32/97/40/1145329740.db2.gz GHUIJDNHXGEDRH-AEGPPILISA-N 0 3 324.856 2.151 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCCNC(=O)[C@H]1CCCCN1CC ZINC001283275968 1145343656 /nfs/dbraw/zinc/34/36/56/1145343656.db2.gz NXRFEKJQRFHCEI-HZPDHXFCSA-N 0 3 323.481 2.086 20 30 DEEDHN N#Cc1cccc([C@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC001364688201 1145465826 /nfs/dbraw/zinc/46/58/26/1145465826.db2.gz HLKDJZJIMZESPE-MRXNPFEDSA-N 0 3 318.442 2.190 20 30 DEEDHN N#Cc1cccc([C@@H](O)CN2CCC[C@H](OCC3CC3)C2)c1 ZINC001364689034 1145467244 /nfs/dbraw/zinc/46/72/44/1145467244.db2.gz JERCKZJJWIIHAM-ROUUACIJSA-N 0 3 300.402 2.483 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001480468788 1151824292 /nfs/dbraw/zinc/82/42/92/1151824292.db2.gz RPCBRRYSHLBWTQ-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN CCOCCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001283864453 1145676712 /nfs/dbraw/zinc/67/67/12/1145676712.db2.gz FEHZQPVSPHCGDV-SJLPKXTDSA-N 0 3 314.429 2.044 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)COc2cc(C)cc(C)c2)C1 ZINC001284025625 1145756077 /nfs/dbraw/zinc/75/60/77/1145756077.db2.gz MHEGQSUPLJGUAP-IAGOWNOFSA-N 0 3 314.429 2.285 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CC3(C(F)(F)F)CC3)CCC[C@@H]12 ZINC001284055933 1145777283 /nfs/dbraw/zinc/77/72/83/1145777283.db2.gz DBPLEFKRGTWKQB-DOMZBBRYSA-N 0 3 314.351 2.465 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)CN(C)c2ccccc2)[C@H]1C ZINC001284147793 1145807679 /nfs/dbraw/zinc/80/76/79/1145807679.db2.gz ADTNJFMZZUGTCW-SJLPKXTDSA-N 0 3 313.445 2.115 20 30 DEEDHN CC1(C)CN(C(=O)C(F)F)C[C@@H]1NCC#Cc1ccccc1 ZINC001284263459 1145828347 /nfs/dbraw/zinc/82/83/47/1145828347.db2.gz SMDCSUTXRBBDNB-AWEZNQCLSA-N 0 3 306.356 2.130 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1cnc2[nH]cnc2c1)C(C)C ZINC001284538868 1145868785 /nfs/dbraw/zinc/86/87/85/1145868785.db2.gz YHFHHPPJPRCVLG-UHFFFAOYSA-N 0 3 315.421 2.316 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001284673812 1145888665 /nfs/dbraw/zinc/88/86/65/1145888665.db2.gz GBXLVMPIIYXWLW-NVXWUHKLSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC001284718890 1145895112 /nfs/dbraw/zinc/89/51/12/1145895112.db2.gz IFGVLWYJIIIKDF-RDJZCZTQSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](OC)C2CCC2)C1 ZINC001365841998 1146025634 /nfs/dbraw/zinc/02/56/34/1146025634.db2.gz CHNICBNMYHTBOL-UBHSHLNASA-N 0 3 300.830 2.038 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@]1(C)CCN(C(=O)CN(C)CCC)C1 ZINC001286102398 1146421041 /nfs/dbraw/zinc/42/10/41/1146421041.db2.gz XKVOEXDXPOKJFZ-MAUKXSAKSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN(C)c1nnc(C)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001286362970 1146563738 /nfs/dbraw/zinc/56/37/38/1146563738.db2.gz ICHCGFZERNCKRH-INIZCTEOSA-N 0 3 315.396 2.098 20 30 DEEDHN C=CCCCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001287701997 1146715025 /nfs/dbraw/zinc/71/50/25/1146715025.db2.gz VHFXAHBYIPQOEG-CVEARBPZSA-N 0 3 323.481 2.179 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](NC(=O)CN(CC)CC)CC[C@H]1C ZINC001288465417 1146804078 /nfs/dbraw/zinc/80/40/78/1146804078.db2.gz FCBWZDLJMIJFGZ-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001491838717 1146910681 /nfs/dbraw/zinc/91/06/81/1146910681.db2.gz RKQZKRVHAXPPEF-CYBMUJFWSA-N 0 3 321.421 2.224 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](NCc2nccn2C)C1 ZINC001491883500 1146951614 /nfs/dbraw/zinc/95/16/14/1146951614.db2.gz VOUBDJQAFIDRTR-KBPBESRZSA-N 0 3 304.438 2.149 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@H](CNC(=O)C(F)F)C2)cc1 ZINC001366173744 1147091092 /nfs/dbraw/zinc/09/10/92/1147091092.db2.gz WBQSGRYBNGAYES-CQSZACIVSA-N 0 3 307.344 2.152 20 30 DEEDHN C=C(Cl)CN(CC)CCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC001366618795 1147398841 /nfs/dbraw/zinc/39/88/41/1147398841.db2.gz BUQMPDCKGJWIID-XHDPSFHLSA-N 0 3 324.856 2.266 20 30 DEEDHN C=CCCCCCN(C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC001307447882 1147426218 /nfs/dbraw/zinc/42/62/18/1147426218.db2.gz GVMZPZNMYFBZBW-UHFFFAOYSA-N 0 3 324.465 2.466 20 30 DEEDHN N#CC1(CCCC[NH+]2CCC(Cc3nnn[n-]3)CC2)CCC1 ZINC001308048431 1147443770 /nfs/dbraw/zinc/44/37/70/1147443770.db2.gz NXPKYBQFQQPOOS-UHFFFAOYSA-N 0 3 302.426 2.318 20 30 DEEDHN N#CC1(CCCC[NH+]2CCC(Cc3nn[n-]n3)CC2)CCC1 ZINC001308048431 1147443774 /nfs/dbraw/zinc/44/37/74/1147443774.db2.gz NXPKYBQFQQPOOS-UHFFFAOYSA-N 0 3 302.426 2.318 20 30 DEEDHN CC#CCN(C)CCCNC(=O)CCOc1ccccc1C ZINC001316865398 1147538242 /nfs/dbraw/zinc/53/82/42/1147538242.db2.gz JWQCCFIJWUGARQ-UHFFFAOYSA-N 0 3 302.418 2.225 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001317034552 1147580194 /nfs/dbraw/zinc/58/01/94/1147580194.db2.gz XFDDKCDUWSPOEG-CSVGXABCSA-N 0 3 314.857 2.236 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC001316799310 1147601050 /nfs/dbraw/zinc/60/10/50/1147601050.db2.gz CDNHXBQONAVPSE-NJAFHUGGSA-N 0 3 315.461 2.444 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)Cc1c(C)n[nH]c1C ZINC001316806845 1147603633 /nfs/dbraw/zinc/60/36/33/1147603633.db2.gz UBLXSEFEUAMVCK-HNNXBMFYSA-N 0 3 304.438 2.068 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cncc2[nH]ccc21)C1CC1 ZINC001316920571 1147631877 /nfs/dbraw/zinc/63/18/77/1147631877.db2.gz IVQRHPRUUPBQGO-UHFFFAOYSA-N 0 3 310.401 2.171 20 30 DEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C[C@@H]3CCCCO3)C2)CCC1 ZINC001316987346 1147644376 /nfs/dbraw/zinc/64/43/76/1147644376.db2.gz SMIPKUIQIOOQQK-CVEARBPZSA-N 0 3 306.450 2.492 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC)C1 ZINC001317052347 1147653490 /nfs/dbraw/zinc/65/34/90/1147653490.db2.gz FABGVXVCOXAUOE-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C[C@@H](N[C@H]1CCN(C(=O)CSCC#N)C1)c1ccccc1F ZINC001317052976 1147653559 /nfs/dbraw/zinc/65/35/59/1147653559.db2.gz BTPZYVFHKJIHIX-OLZOCXBDSA-N 0 3 321.421 2.334 20 30 DEEDHN COCC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2=CCCC2)C1 ZINC001317105629 1147660215 /nfs/dbraw/zinc/66/02/15/1147660215.db2.gz NZISBYIOAURKQO-MSOLQXFVSA-N 0 3 316.445 2.059 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001317198725 1147675029 /nfs/dbraw/zinc/67/50/29/1147675029.db2.gz AYZMJZQOAPOYHA-HZPDHXFCSA-N 0 3 317.433 2.001 20 30 DEEDHN COc1ccc(C#N)cc1CNC1(CNC(C)=O)CCCC1 ZINC001367310489 1147676695 /nfs/dbraw/zinc/67/66/95/1147676695.db2.gz HQUMCRALRHEOOC-UHFFFAOYSA-N 0 3 301.390 2.105 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)NCc1cccc(NC(C)=O)c1 ZINC001317230687 1147680030 /nfs/dbraw/zinc/68/00/30/1147680030.db2.gz WMDAFKYMRIIONA-ZDUSSCGKSA-N 0 3 303.406 2.206 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N[C@H](C)C(=O)N1CCCCC1 ZINC001317243694 1147681806 /nfs/dbraw/zinc/68/18/06/1147681806.db2.gz ZGFDJBXJWXLBGB-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC[C@H](NC[C@H](F)CC)C1 ZINC001317308816 1147688774 /nfs/dbraw/zinc/68/87/74/1147688774.db2.gz UMTHRZLRZRACOZ-SJORKVTESA-N 0 3 302.393 2.149 20 30 DEEDHN C=CCN(CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001317489694 1147714531 /nfs/dbraw/zinc/71/45/31/1147714531.db2.gz NWCBYJTYYIEOGE-DLBZAZTESA-N 0 3 302.418 2.423 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001317529541 1147720896 /nfs/dbraw/zinc/72/08/96/1147720896.db2.gz YFRVGVOJNIDRHS-HNNXBMFYSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc(N2CCCC2)c1 ZINC001317544120 1147722759 /nfs/dbraw/zinc/72/27/59/1147722759.db2.gz IOWBVGDWRKTNRH-UHFFFAOYSA-N 0 3 313.445 2.362 20 30 DEEDHN COC[C@@H](C)[C@H](C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001317594879 1147730674 /nfs/dbraw/zinc/73/06/74/1147730674.db2.gz ZQCXYKDBJGKDCU-CABCVRRESA-N 0 3 317.433 2.025 20 30 DEEDHN CC#CCCCC(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001317621129 1147734019 /nfs/dbraw/zinc/73/40/19/1147734019.db2.gz DLVMCWSPBUMMSK-UHFFFAOYSA-N 0 3 318.465 2.380 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNCC(=O)N(C)CC)CCCCC1 ZINC001317662694 1147740648 /nfs/dbraw/zinc/74/06/48/1147740648.db2.gz GCJASCWTEFDKKC-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC/C=C\CC ZINC001317735549 1147748397 /nfs/dbraw/zinc/74/83/97/1147748397.db2.gz SXSZYMSDQILXAO-ZHOIPMOUSA-N 0 3 304.434 2.056 20 30 DEEDHN CCCC[C@@H](C)C(=O)NCC[C@@H]1CCN(CC#CCOC)C1 ZINC001317782045 1147751558 /nfs/dbraw/zinc/75/15/58/1147751558.db2.gz LPJXGGQNAKWQMJ-IAGOWNOFSA-N 0 3 308.466 2.291 20 30 DEEDHN C=CCCN1CCN(CCN(C)C(=O)C(C)(C)C2CC2)CC1 ZINC001317820162 1147755231 /nfs/dbraw/zinc/75/52/31/1147755231.db2.gz NADYQDQRCCENRA-UHFFFAOYSA-N 0 3 307.482 2.075 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)Cc1ccco1 ZINC001367851106 1147760708 /nfs/dbraw/zinc/76/07/08/1147760708.db2.gz QJKGVCGQFJVCAG-CQSZACIVSA-N 0 3 311.385 2.330 20 30 DEEDHN CCC[C@H](OC)C(=O)N[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001367877955 1147764748 /nfs/dbraw/zinc/76/47/48/1147764748.db2.gz JSQZVEMCEVIQBO-YOEHRIQHSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1ccc(F)c(CNC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001367896422 1147767177 /nfs/dbraw/zinc/76/71/77/1147767177.db2.gz QCAASBIVDZZRNU-LRDDRELGSA-N 0 3 303.381 2.278 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001318331471 1147812497 /nfs/dbraw/zinc/81/24/97/1147812497.db2.gz PZIXICMGPURDMX-GOSISDBHSA-N 0 3 314.429 2.034 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)C3CC(F)(F)C3)CC2)cc1 ZINC001367990545 1147819837 /nfs/dbraw/zinc/81/98/37/1147819837.db2.gz KDMJPSJUADUQFN-UHFFFAOYSA-N 0 3 319.355 2.342 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC001324892029 1147855850 /nfs/dbraw/zinc/85/58/50/1147855850.db2.gz HEVBCXCIJPCMIB-SJORKVTESA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001324948330 1147861400 /nfs/dbraw/zinc/86/14/00/1147861400.db2.gz RLMCNHITCDBLMD-NXHRZFHOSA-N 0 3 306.450 2.350 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CN([C@@H](C)COC)CCC1(F)F ZINC001325042564 1147869716 /nfs/dbraw/zinc/86/97/16/1147869716.db2.gz MUIQGLFCCFRTSH-STQMWFEESA-N 0 3 304.381 2.061 20 30 DEEDHN C(=NOCC[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC001325340479 1147894281 /nfs/dbraw/zinc/89/42/81/1147894281.db2.gz UCESFDFMOQOTMY-MRXNPFEDSA-N 0 3 304.390 2.300 20 30 DEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(C)COC)C2)CC1 ZINC001325363825 1147896411 /nfs/dbraw/zinc/89/64/11/1147896411.db2.gz USBNKGUFSZUGIM-QGZVFWFLSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCCC(=O)N[C@]1(CO)CCCN(Cc2ccccc2C)C1 ZINC001325820426 1148003280 /nfs/dbraw/zinc/00/32/80/1148003280.db2.gz SEROECVSRMRKRY-LJQANCHMSA-N 0 3 316.445 2.404 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001325879524 1148013631 /nfs/dbraw/zinc/01/36/31/1148013631.db2.gz PLRPZXSCCMUVBQ-OLZOCXBDSA-N 0 3 303.324 2.399 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2cncs2)C1 ZINC001326290964 1148070166 /nfs/dbraw/zinc/07/01/66/1148070166.db2.gz RXUWDOKRAJMWSZ-LBPRGKRZSA-N 0 3 313.854 2.266 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(C#C)cn2)cc1 ZINC001326489473 1148114105 /nfs/dbraw/zinc/11/41/05/1148114105.db2.gz IHVOGGKWIPAMMO-OAHLLOKOSA-N 0 3 317.392 2.277 20 30 DEEDHN C[C@@]1(CNCc2cc(F)ccc2C#N)CCN(C(=O)C2CC2)C1 ZINC001368168159 1148300453 /nfs/dbraw/zinc/30/04/53/1148300453.db2.gz NUUYHNZZNPSHPO-SFHVURJKSA-N 0 3 315.392 2.436 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)CN(C)CCC)CC1 ZINC001368205525 1148324577 /nfs/dbraw/zinc/32/45/77/1148324577.db2.gz BRRCGZCCWPDBGF-UHFFFAOYSA-N 0 3 315.889 2.299 20 30 DEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H](C)COC ZINC000278663092 214310138 /nfs/dbraw/zinc/31/01/38/214310138.db2.gz NGCUPWVJNVNRTC-MAUKXSAKSA-N 0 3 320.433 2.183 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@@H]1C)C(C)C ZINC000079440307 185171718 /nfs/dbraw/zinc/17/17/18/185171718.db2.gz SVWWVJMEPMMVTR-HOTGVXAUSA-N 0 3 309.454 2.115 20 30 DEEDHN CC[C@@H](CC#N)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000183911131 529445745 /nfs/dbraw/zinc/44/57/45/529445745.db2.gz ZBTMGZKFHSGBHE-INIZCTEOSA-N 0 3 314.433 2.007 20 30 DEEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000333880140 529473105 /nfs/dbraw/zinc/47/31/05/529473105.db2.gz RKVZBXBOBWOJMN-SYGRHNPNSA-N 0 3 321.465 2.463 20 30 DEEDHN C=C(C)COCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090451258 185297099 /nfs/dbraw/zinc/29/70/99/185297099.db2.gz AFDHUTFILZWPCF-LBPRGKRZSA-N 0 3 315.410 2.473 20 30 DEEDHN COC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000181581177 199322193 /nfs/dbraw/zinc/32/21/93/199322193.db2.gz UTBWZDMUNGUSDS-AWEZNQCLSA-N 0 3 307.781 2.165 20 30 DEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(F)cc3C#N)C2)C1 ZINC000292601075 529801513 /nfs/dbraw/zinc/80/15/13/529801513.db2.gz DSQLIECCQUKWSE-MRXNPFEDSA-N 0 3 302.353 2.257 20 30 DEEDHN C=C[C@H](O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000614675464 362434466 /nfs/dbraw/zinc/43/44/66/362434466.db2.gz XZBXGGKPPAWLCH-CABCVRRESA-N 0 3 310.825 2.386 20 30 DEEDHN N#Cc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000615224411 362561466 /nfs/dbraw/zinc/56/14/66/362561466.db2.gz YDWFEPHURAKYPF-IAGOWNOFSA-N 0 3 319.836 2.243 20 30 DEEDHN C=CCc1cc(CNCC2(OC)CCOCC2)cc(OC)c1O ZINC000123097841 539464481 /nfs/dbraw/zinc/46/44/81/539464481.db2.gz BYZIPKSPOLGYKR-UHFFFAOYSA-N 0 3 321.417 2.415 20 30 DEEDHN C[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 ZINC000615539251 362633528 /nfs/dbraw/zinc/63/35/28/362633528.db2.gz IRUCAEDTXCCXCZ-YOEHRIQHSA-N 0 3 318.396 2.154 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCc1cccc(C#N)c1 ZINC000595455662 358453145 /nfs/dbraw/zinc/45/31/45/358453145.db2.gz BTRMTQQICUHDPK-OAHLLOKOSA-N 0 3 314.433 2.478 20 30 DEEDHN C=CCOc1cccc(CN2CCC3(CNC(=O)C3)CC2)c1 ZINC000271162191 539799444 /nfs/dbraw/zinc/79/94/44/539799444.db2.gz DXKCXBKKPIGZCI-UHFFFAOYSA-N 0 3 300.402 2.354 20 30 DEEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000595472970 358457965 /nfs/dbraw/zinc/45/79/65/358457965.db2.gz JILFOEZTEGMEBX-MAUKXSAKSA-N 0 3 300.402 2.371 20 30 DEEDHN C=CCNC(=O)[C@H](C)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000626061970 366031695 /nfs/dbraw/zinc/03/16/95/366031695.db2.gz BENJLJSOIRUVJZ-HNNXBMFYSA-N 0 3 303.450 2.261 20 30 DEEDHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000328884145 539911764 /nfs/dbraw/zinc/91/17/64/539911764.db2.gz YJZSNZZLHBZQSY-YCPHGPKFSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595544982 358479862 /nfs/dbraw/zinc/47/98/62/358479862.db2.gz CWASZUWBEIRZKQ-OWCLPIDISA-N 0 3 306.454 2.442 20 30 DEEDHN Cc1csc(C(C#N)C(=O)c2ccc(NC(N)=O)cc2)n1 ZINC000041517242 354175024 /nfs/dbraw/zinc/17/50/24/354175024.db2.gz GAAVSDXNQPTWCG-NSHDSACASA-N 0 3 300.343 2.432 20 30 DEEDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2C#N)s1 ZINC000050225462 354369429 /nfs/dbraw/zinc/36/94/29/354369429.db2.gz HIINZOQOPMDMDH-CQSZACIVSA-N 0 3 302.399 2.458 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H]2COCCO2)ccc1OC ZINC000057965480 354585751 /nfs/dbraw/zinc/58/57/51/354585751.db2.gz VXJAGLWBBYRBRF-OAHLLOKOSA-N 0 3 307.390 2.155 20 30 DEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000060278059 354609669 /nfs/dbraw/zinc/60/96/69/354609669.db2.gz KHXCQSHMIFKYRN-MRXNPFEDSA-N 0 3 316.405 2.133 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CSCC#N)C1 ZINC000065827005 354691466 /nfs/dbraw/zinc/69/14/66/354691466.db2.gz NHHSRJRLIQLMIB-DZGCQCFKSA-N 0 3 303.431 2.195 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000066308745 354708394 /nfs/dbraw/zinc/70/83/94/354708394.db2.gz YROBWYQEJTVGMK-NVXWUHKLSA-N 0 3 304.434 2.257 20 30 DEEDHN N#CCSCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067361413 354759057 /nfs/dbraw/zinc/75/90/57/354759057.db2.gz VYHNUESPRSULOJ-MRXNPFEDSA-N 0 3 317.458 2.272 20 30 DEEDHN C#CCOc1ccccc1CNCCCC(=O)N(CC)CC ZINC000067693087 354774529 /nfs/dbraw/zinc/77/45/29/354774529.db2.gz VVCBQQDOHKNSLU-UHFFFAOYSA-N 0 3 302.418 2.437 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000066948564 354741542 /nfs/dbraw/zinc/74/15/42/354741542.db2.gz OCARRKAUWWWRQO-GOEBONIOSA-N 0 3 315.417 2.268 20 30 DEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1 ZINC000069506278 354868209 /nfs/dbraw/zinc/86/82/09/354868209.db2.gz RTXCYMPQMKGFEZ-MRXNPFEDSA-N 0 3 318.417 2.092 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073996331 354997496 /nfs/dbraw/zinc/99/74/96/354997496.db2.gz OSAMJZBQVIAGPR-IMJJTQAJSA-N 0 3 313.401 2.021 20 30 DEEDHN N#Cc1ccc(N2CCN(CC[C@H]3CCCCO3)CC2)nc1 ZINC000332545285 235078268 /nfs/dbraw/zinc/07/82/68/235078268.db2.gz MMBVDLGYKVTQCR-MRXNPFEDSA-N 0 3 300.406 2.034 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000078949910 355287735 /nfs/dbraw/zinc/28/77/35/355287735.db2.gz NPFIFNXDCSLPRG-OAHLLOKOSA-N 0 3 302.422 2.310 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000089799462 355543552 /nfs/dbraw/zinc/54/35/52/355543552.db2.gz HMYPWZJUGGAYJK-WOJBJXKFSA-N 0 3 321.424 2.283 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000126032294 355814303 /nfs/dbraw/zinc/81/43/03/355814303.db2.gz KUAXQTQSGNVJNJ-KRWDZBQOSA-N 0 3 312.417 2.184 20 30 DEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595608982 358500145 /nfs/dbraw/zinc/50/01/45/358500145.db2.gz DJQAGYQFIZJGRV-SJORKVTESA-N 0 3 313.401 2.118 20 30 DEEDHN CC(C)CN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(C)C ZINC000180562643 356053779 /nfs/dbraw/zinc/05/37/79/356053779.db2.gz CIVYPJOLQHMKDK-KRWDZBQOSA-N 0 3 322.497 2.045 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000180895885 356064559 /nfs/dbraw/zinc/06/45/59/356064559.db2.gz MFFINLXDDCTOBP-SJORKVTESA-N 0 3 324.513 2.304 20 30 DEEDHN COc1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000321687334 356450285 /nfs/dbraw/zinc/45/02/85/356450285.db2.gz XMXXBJMXEWHOPT-MRXNPFEDSA-N 0 3 312.369 2.096 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCN1CCCCC1 ZINC000618630858 363552534 /nfs/dbraw/zinc/55/25/34/363552534.db2.gz VQBXAANVDCRPQE-QGZVFWFLSA-N 0 3 312.417 2.331 20 30 DEEDHN CN1C[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CCC1=O ZINC000328788552 283224714 /nfs/dbraw/zinc/22/47/14/283224714.db2.gz PJUPIIFHABANBJ-UKRRQHHQSA-N 0 3 307.438 2.361 20 30 DEEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(C)CCC#N ZINC000578887105 356888589 /nfs/dbraw/zinc/88/85/89/356888589.db2.gz JYGNWZNDZYUQOJ-GRYCIOLGSA-N 0 3 305.344 2.458 20 30 DEEDHN C=CCc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc(OC)c1OC ZINC000237247517 202203044 /nfs/dbraw/zinc/20/30/44/202203044.db2.gz RCEOOLAUSFKBKE-CHWSQXEVSA-N 0 3 318.417 2.255 20 30 DEEDHN N#Cc1cncnc1NCC1CCN(Cc2cccs2)CC1 ZINC000579707421 357017889 /nfs/dbraw/zinc/01/78/89/357017889.db2.gz NSHWZTCBXBTBMN-UHFFFAOYSA-N 0 3 313.430 2.156 20 30 DEEDHN C=CC[NH+](CC=C)[C@@H](CNc1ccncc1C(=O)[O-])C(C)C ZINC000581074145 357127127 /nfs/dbraw/zinc/12/71/27/357127127.db2.gz KLSCLUUZZBCVCO-INIZCTEOSA-N 0 3 303.406 2.312 20 30 DEEDHN CN(CCCN(C)C(=O)C1(C#N)CCC1)Cc1ccncc1 ZINC000581959838 357275992 /nfs/dbraw/zinc/27/59/92/357275992.db2.gz VQNFTIZPJNSRQN-UHFFFAOYSA-N 0 3 300.406 2.056 20 30 DEEDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000588821930 357426077 /nfs/dbraw/zinc/42/60/77/357426077.db2.gz RVHUCEGPVVTUBI-GDBMZVCRSA-N 0 3 315.417 2.268 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc(C#N)c1 ZINC000589893122 357504104 /nfs/dbraw/zinc/50/41/04/357504104.db2.gz JWADPKJZELZSPS-KSSFIOAISA-N 0 3 312.417 2.356 20 30 DEEDHN CCN1CCC(n2nccc2NC(=O)c2cccc(C#N)n2)CC1 ZINC000589377495 357467429 /nfs/dbraw/zinc/46/74/29/357467429.db2.gz SKBOWZVCEOKGFZ-UHFFFAOYSA-N 0 3 324.388 2.059 20 30 DEEDHN C[C@@H](NC(=O)c1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000589488991 357474439 /nfs/dbraw/zinc/47/44/39/357474439.db2.gz WMOVKIHFFMJQGD-CXAGYDPISA-N 0 3 308.385 2.374 20 30 DEEDHN C[C@@H]1[C@H](NC(=O)c2cccc(C#N)n2)CCN1Cc1ccccc1 ZINC000589621361 357483952 /nfs/dbraw/zinc/48/39/52/357483952.db2.gz APPQWVUWQMBSEK-RHSMWYFYSA-N 0 3 320.396 2.346 20 30 DEEDHN CCC#C[C@H](C)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 ZINC000590957538 357651855 /nfs/dbraw/zinc/65/18/55/357651855.db2.gz UTQWAMBJMIQSQH-ZDUSSCGKSA-N 0 3 318.421 2.081 20 30 DEEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]2COC[C@@H]21 ZINC000590972350 357655977 /nfs/dbraw/zinc/65/59/77/357655977.db2.gz KARYWZISUARLFE-OLZOCXBDSA-N 0 3 305.403 2.059 20 30 DEEDHN CC[C@](C)(CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591374988 357716166 /nfs/dbraw/zinc/71/61/66/357716166.db2.gz JZLHFWVNQRGQNX-SJLPKXTDSA-N 0 3 315.417 2.458 20 30 DEEDHN CN(C)[C@H](CC(=O)N[C@]1(C#N)CCSC1)c1ccccc1 ZINC000591317515 357705690 /nfs/dbraw/zinc/70/56/90/357705690.db2.gz VNQALXBRHVUINZ-ZBFHGGJFSA-N 0 3 303.431 2.195 20 30 DEEDHN COc1ccc2ncc(C#N)c(NCC3=CCN(C)CC3)c2c1 ZINC000591928268 357800043 /nfs/dbraw/zinc/80/00/43/357800043.db2.gz MDTACZGRKKUWDG-UHFFFAOYSA-N 0 3 308.385 2.211 20 30 DEEDHN N#CC[C@]1(O)CCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000592152229 357841785 /nfs/dbraw/zinc/84/17/85/357841785.db2.gz VOHDEEFYQPIOBW-HNNXBMFYSA-N 0 3 307.781 2.019 20 30 DEEDHN CCC1(CC)[C@H](NCc2cnc3c(C#N)cnn3c2)C[C@@H]1OC ZINC000592503891 357889440 /nfs/dbraw/zinc/88/94/40/357889440.db2.gz IZEMURPAKBTMRG-CABCVRRESA-N 0 3 313.405 2.284 20 30 DEEDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593027662 357990968 /nfs/dbraw/zinc/99/09/68/357990968.db2.gz VDQWUXAEWGZRNI-WFASDCNBSA-N 0 3 303.362 2.449 20 30 DEEDHN C=CCc1cc(CN2CCC(C(=O)NC)CC2)cc(OC)c1O ZINC000179822874 199083924 /nfs/dbraw/zinc/08/39/24/199083924.db2.gz UIEQXZYVPYRLQN-UHFFFAOYSA-N 0 3 318.417 2.087 20 30 DEEDHN CN(CCN1CCCCC1)C(=O)NCc1ccc(C#N)cc1 ZINC000593305367 358051232 /nfs/dbraw/zinc/05/12/32/358051232.db2.gz UUBWEVAQKUGCFR-UHFFFAOYSA-N 0 3 300.406 2.186 20 30 DEEDHN CC[C@H](C#N)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000593745007 358135305 /nfs/dbraw/zinc/13/53/05/358135305.db2.gz YBCLYCLFGVMTMK-GFCCVEGCSA-N 0 3 305.378 2.124 20 30 DEEDHN CCC(C)(C)N1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000594020938 358190805 /nfs/dbraw/zinc/19/08/05/358190805.db2.gz OBMFOUTUOXYWHL-UHFFFAOYSA-N 0 3 314.433 2.303 20 30 DEEDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000594020665 358191231 /nfs/dbraw/zinc/19/12/31/358191231.db2.gz KQORSJWHJPYZBT-YJBOKZPZSA-N 0 3 322.497 2.236 20 30 DEEDHN N#Cc1ccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594209559 358224111 /nfs/dbraw/zinc/22/41/11/358224111.db2.gz SICCSYBWHJHPGF-SJORKVTESA-N 0 3 312.417 2.374 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000594270340 358236326 /nfs/dbraw/zinc/23/63/26/358236326.db2.gz AHAMFTPEUZWIJX-YJBOKZPZSA-N 0 3 311.429 2.434 20 30 DEEDHN N#Cc1cccc(F)c1CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594196623 358221985 /nfs/dbraw/zinc/22/19/85/358221985.db2.gz LGZBDDJSYCFREQ-DLBZAZTESA-N 0 3 315.392 2.373 20 30 DEEDHN N#Cc1ccc(OCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594201767 358222541 /nfs/dbraw/zinc/22/25/41/358222541.db2.gz RKBMPMAXNKVFKW-IRXDYDNUSA-N 0 3 313.401 2.070 20 30 DEEDHN COc1ccc(Cl)cc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594429714 358267630 /nfs/dbraw/zinc/26/76/30/358267630.db2.gz VWXPEWOMUOQHOI-ZDUSSCGKSA-N 0 3 309.797 2.376 20 30 DEEDHN N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594600503 358302717 /nfs/dbraw/zinc/30/27/17/358302717.db2.gz LQXNPNRJQYERLO-KGLIPLIRSA-N 0 3 301.350 2.290 20 30 DEEDHN COc1cc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1C#N ZINC000594965046 358370325 /nfs/dbraw/zinc/37/03/25/358370325.db2.gz HUGBRHGIYXWXJN-LRAJWGHMSA-N 0 3 306.431 2.346 20 30 DEEDHN CC(C)(C#N)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595234599 358404138 /nfs/dbraw/zinc/40/41/38/358404138.db2.gz MGSWPPLJJRPWRT-AWEZNQCLSA-N 0 3 302.378 2.019 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1cc(F)ccc1OC(F)F ZINC000595258272 358407902 /nfs/dbraw/zinc/40/79/02/358407902.db2.gz BEKVMYBIZBCBLJ-LLVKDONJSA-N 0 3 315.295 2.064 20 30 DEEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000595659152 358514201 /nfs/dbraw/zinc/51/42/01/358514201.db2.gz LGEVPFTUQWYSOG-JKSUJKDBSA-N 0 3 322.449 2.076 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788292 358549463 /nfs/dbraw/zinc/54/94/63/358549463.db2.gz IKJUEGUNWYKBPL-OAGGEKHMSA-N 0 3 307.438 2.028 20 30 DEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000595786178 358549566 /nfs/dbraw/zinc/54/95/66/358549566.db2.gz LFLOAKHBDKBWMO-WBVHZDCISA-N 0 3 306.454 2.442 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618820893 363611582 /nfs/dbraw/zinc/61/15/82/363611582.db2.gz LXFWLTGYIQMPDW-OCBCSQNSSA-N 0 3 324.428 2.327 20 30 DEEDHN CS[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1N(C)C ZINC000596181306 358633125 /nfs/dbraw/zinc/63/31/25/358633125.db2.gz ZLWCKDMMDBDUNQ-RKDXNWHRSA-N 0 3 302.856 2.150 20 30 DEEDHN CCN1CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618850240 363616375 /nfs/dbraw/zinc/61/63/75/363616375.db2.gz HCRJKEHLECDVDJ-KRWDZBQOSA-N 0 3 312.417 2.283 20 30 DEEDHN N#CC1(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCCC1 ZINC000597382581 358904501 /nfs/dbraw/zinc/90/45/01/358904501.db2.gz RPWBQUBCNYMMTL-MRXNPFEDSA-N 0 3 319.449 2.220 20 30 DEEDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1c(F)cccc1C#N ZINC000597604148 358960527 /nfs/dbraw/zinc/96/05/27/358960527.db2.gz GSWXOMRBQQGBJO-AWEZNQCLSA-N 0 3 303.381 2.183 20 30 DEEDHN CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CCN(CC)C1 ZINC000598041343 359073600 /nfs/dbraw/zinc/07/36/00/359073600.db2.gz SZHJYXDBWKXITI-CQSZACIVSA-N 0 3 303.381 2.183 20 30 DEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000598195939 359120198 /nfs/dbraw/zinc/12/01/98/359120198.db2.gz XEUZOHOCZRGQEA-QGZVFWFLSA-N 0 3 322.412 2.275 20 30 DEEDHN CN(CC1=CCCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598198529 359121117 /nfs/dbraw/zinc/12/11/17/359121117.db2.gz ZTWNEKIJHLQQJY-QGZVFWFLSA-N 0 3 309.369 2.046 20 30 DEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)COc1ccc(C#N)cc1 ZINC000598262492 359140445 /nfs/dbraw/zinc/14/04/45/359140445.db2.gz LHXSCSZKQYUYME-HNNXBMFYSA-N 0 3 315.417 2.174 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCc2cc(NC(=O)[C@H](C)C#N)ccc21 ZINC000598323428 359161712 /nfs/dbraw/zinc/16/17/12/359161712.db2.gz RKAINPMVVGRHHR-HFAKWTLXSA-N 0 3 310.357 2.048 20 30 DEEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000598603174 359258278 /nfs/dbraw/zinc/25/82/78/359258278.db2.gz YIYJXXWOZIIKMS-QENPMARHSA-N 0 3 308.447 2.375 20 30 DEEDHN Cc1nccc([C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1 ZINC000598585719 359250435 /nfs/dbraw/zinc/25/04/35/359250435.db2.gz JZROAYMNFYCOFD-HUUCEWRRSA-N 0 3 302.422 2.265 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000598588147 359252034 /nfs/dbraw/zinc/25/20/34/359252034.db2.gz YUAGUBMUSHVKDW-QGZVFWFLSA-N 0 3 307.482 2.485 20 30 DEEDHN CCN(CC)c1ccc(CNC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598715938 359303105 /nfs/dbraw/zinc/30/31/05/359303105.db2.gz VKPDGJFGURDHMF-OAHLLOKOSA-N 0 3 304.438 2.318 20 30 DEEDHN COCCOc1cc(C)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598722867 359305628 /nfs/dbraw/zinc/30/56/28/359305628.db2.gz DKPVPXSZFHQNKJ-INIZCTEOSA-N 0 3 320.433 2.411 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000598723492 359306914 /nfs/dbraw/zinc/30/69/14/359306914.db2.gz IJNWVOBYIWYADH-JKSUJKDBSA-N 0 3 321.465 2.200 20 30 DEEDHN CC1(C)CC[C@H](CO)N(CCC(=O)Nc2sccc2C#N)C1 ZINC000598647041 359275020 /nfs/dbraw/zinc/27/50/20/359275020.db2.gz JTILUCFSXGFDTE-CYBMUJFWSA-N 0 3 321.446 2.431 20 30 DEEDHN Cc1ccncc1[C@H](C)NC[C@@H](O)COc1ccccc1C#N ZINC000599360543 359477167 /nfs/dbraw/zinc/47/71/67/359477167.db2.gz CQOOCTYLCPZIFY-GOEBONIOSA-N 0 3 311.385 2.352 20 30 DEEDHN C=C[C@@](C)(O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000667598092 540483686 /nfs/dbraw/zinc/48/36/86/540483686.db2.gz JHLLDHQQYDXODF-QGZVFWFLSA-N 0 3 320.458 2.153 20 30 DEEDHN N#CCSCCCN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599396093 359487872 /nfs/dbraw/zinc/48/78/72/359487872.db2.gz QFMJXEGOLNNBCE-KRWDZBQOSA-N 0 3 320.458 2.287 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000667612669 540487320 /nfs/dbraw/zinc/48/73/20/540487320.db2.gz DEEAOQGDNDYKPW-XJKSGUPXSA-N 0 3 308.447 2.013 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccn3cc(C)nc3c2)CC1 ZINC000668154555 540599356 /nfs/dbraw/zinc/59/93/56/540599356.db2.gz PRDRTAQWUMWNAO-UHFFFAOYSA-N 0 3 313.405 2.415 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2onc3c2CCCC3)CC1 ZINC000668370206 540656069 /nfs/dbraw/zinc/65/60/69/540656069.db2.gz QFUIAHIHYAWOAL-UHFFFAOYSA-N 0 3 303.406 2.324 20 30 DEEDHN CC(C)CC[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600308042 359718650 /nfs/dbraw/zinc/71/86/50/359718650.db2.gz JFQSPJFWJKTNAC-IAGOWNOFSA-N 0 3 313.401 2.154 20 30 DEEDHN C=CCOc1ccccc1CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000668543514 540683191 /nfs/dbraw/zinc/68/31/91/540683191.db2.gz WGMXYPGJUUZQAM-GDBMZVCRSA-N 0 3 300.402 2.352 20 30 DEEDHN COC[C@]1(CNCc2cccc(C#N)n2)OCCc2ccccc21 ZINC000602668704 360487288 /nfs/dbraw/zinc/48/72/88/360487288.db2.gz FVNXSDGMWWUBIY-IBGZPJMESA-N 0 3 323.396 2.157 20 30 DEEDHN CCC[C@H](C)C(=O)NCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602671625 360488161 /nfs/dbraw/zinc/48/81/61/360488161.db2.gz VXUXNQUCGFLENC-GJZGRUSLSA-N 0 3 309.454 2.227 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000668832007 540738859 /nfs/dbraw/zinc/73/88/59/540738859.db2.gz WCEMLEJYTLAXCT-RDTXWAMCSA-N 0 3 302.418 2.265 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1N(C)C ZINC000603071539 360689951 /nfs/dbraw/zinc/68/99/51/360689951.db2.gz BLVLQYFZKQSHHB-ZIAGYGMSSA-N 0 3 322.409 2.207 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(CN(C)C)c1 ZINC000603658880 360852648 /nfs/dbraw/zinc/85/26/48/360852648.db2.gz KXAPBSQKBLBJJE-QGZVFWFLSA-N 0 3 302.422 2.215 20 30 DEEDHN C/C=C\C[C@@H](CO)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000603437704 360832385 /nfs/dbraw/zinc/83/23/85/360832385.db2.gz RRWPCYOWLJFHTH-LIMHQNJXSA-N 0 3 310.401 2.375 20 30 DEEDHN C/C=C\C[C@H](CO)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000603437702 360832406 /nfs/dbraw/zinc/83/24/06/360832406.db2.gz RRWPCYOWLJFHTH-CWIOURORSA-N 0 3 310.401 2.375 20 30 DEEDHN C=CCOCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000669555289 540862452 /nfs/dbraw/zinc/86/24/52/540862452.db2.gz NZCWLWOEQUSZHL-KRWDZBQOSA-N 0 3 313.401 2.341 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609258161 361293688 /nfs/dbraw/zinc/29/36/88/361293688.db2.gz NLLWDAUBGWPDOM-KRWDZBQOSA-N 0 3 323.400 2.420 20 30 DEEDHN CCOC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000619280555 363754644 /nfs/dbraw/zinc/75/46/44/363754644.db2.gz KJZGAGMVFBMYIN-MRXNPFEDSA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)S1 ZINC000610336812 361386529 /nfs/dbraw/zinc/38/65/29/361386529.db2.gz DKXBNOGQPFIMDN-LZWOXQAQSA-N 0 3 320.458 2.318 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc(C#N)c1 ZINC000610406565 361395594 /nfs/dbraw/zinc/39/55/94/361395594.db2.gz DNTZUGCLTTVQFM-RHSMWYFYSA-N 0 3 312.417 2.499 20 30 DEEDHN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)cc1C ZINC000610576912 361425252 /nfs/dbraw/zinc/42/52/52/361425252.db2.gz FAZYXJSGXXYVDT-HNNXBMFYSA-N 0 3 321.446 2.019 20 30 DEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC(Cc3ccccc3)C2)cc1 ZINC000611177969 361540755 /nfs/dbraw/zinc/54/07/55/361540755.db2.gz HRNZOQPJFXKNJQ-IBGZPJMESA-N 0 3 322.408 2.472 20 30 DEEDHN C[C@H](CCS(C)(=O)=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393361 361591228 /nfs/dbraw/zinc/59/12/28/361591228.db2.gz HPJSWRRZJRGFBK-MLGOLLRUSA-N 0 3 306.431 2.348 20 30 DEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(CC#N)CC2)cc1 ZINC000611687990 361657189 /nfs/dbraw/zinc/65/71/89/361657189.db2.gz YLYZAJAALOEVTI-QGZVFWFLSA-N 0 3 313.401 2.118 20 30 DEEDHN C[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1cccnc1 ZINC000611932091 361707015 /nfs/dbraw/zinc/70/70/15/361707015.db2.gz GZOIPWMFCNKFQU-PBHICJAKSA-N 0 3 311.385 2.238 20 30 DEEDHN C=C[C@@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)OC ZINC000619700663 363858307 /nfs/dbraw/zinc/85/83/07/363858307.db2.gz HGFFKOUXTQXOIQ-MRXNPFEDSA-N 0 3 320.458 2.417 20 30 DEEDHN C[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)N(C)C1CC1 ZINC000619759399 363872513 /nfs/dbraw/zinc/87/25/13/363872513.db2.gz IKZXRVICRGUPOZ-NSHDSACASA-N 0 3 320.824 2.494 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)NC2CC2)cc1 ZINC000449079025 240023717 /nfs/dbraw/zinc/02/37/17/240023717.db2.gz NQUKQTVQDLGAFU-NSHDSACASA-N 0 3 302.378 2.073 20 30 DEEDHN O[C@H]1CCC[C@@H]1N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000676715250 541488356 /nfs/dbraw/zinc/48/83/56/541488356.db2.gz VLCGYUMZRWLKGB-ROUUACIJSA-N 0 3 318.848 2.223 20 30 DEEDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000275286063 212250481 /nfs/dbraw/zinc/25/04/81/212250481.db2.gz XATJXXWWFHQHMB-UHOFOFEASA-N 0 3 301.390 2.432 20 30 DEEDHN CC(C)O[C@@H]1C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1(C)C ZINC000451509283 243048564 /nfs/dbraw/zinc/04/85/64/243048564.db2.gz XBRIESIFUFQJMI-CKEIUWERSA-N 0 3 309.454 2.223 20 30 DEEDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000451600532 243179446 /nfs/dbraw/zinc/17/94/46/243179446.db2.gz SDIXAXHCAXSUTO-AEFFLSMTSA-N 0 3 317.433 2.375 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000678748307 541761231 /nfs/dbraw/zinc/76/12/31/541761231.db2.gz JVOILDVBQBUXEE-UHFFFAOYSA-N 0 3 324.384 2.004 20 30 DEEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000678754794 541761751 /nfs/dbraw/zinc/76/17/51/541761751.db2.gz NNXJOLSJSNCHFP-ZIAGYGMSSA-N 0 3 308.447 2.389 20 30 DEEDHN C=CCOc1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1OC ZINC000093808922 193310513 /nfs/dbraw/zinc/31/05/13/193310513.db2.gz WVRACVADPYIVKH-CQSZACIVSA-N 0 3 318.417 2.347 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000264972222 204316081 /nfs/dbraw/zinc/31/60/81/204316081.db2.gz PPBZBBRILBUGDF-IJEWVQPXSA-N 0 3 313.401 2.021 20 30 DEEDHN C=CCOCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000679564161 541875533 /nfs/dbraw/zinc/87/55/33/541875533.db2.gz SSPYVZXGSFABFI-UHFFFAOYSA-N 0 3 321.421 2.260 20 30 DEEDHN C=CCOCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000679630419 541885188 /nfs/dbraw/zinc/88/51/88/541885188.db2.gz QBNCYUJKKFRBPJ-UHFFFAOYSA-N 0 3 323.412 2.102 20 30 DEEDHN CC[C@H]1CN(c2ccc(Cl)cc2C#N)CCN1C[C@@H](C)O ZINC000266411049 205327551 /nfs/dbraw/zinc/32/75/51/205327551.db2.gz QPOWSMKHTKYSNN-DOMZBBRYSA-N 0 3 307.825 2.493 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679873425 541921976 /nfs/dbraw/zinc/92/19/76/541921976.db2.gz HABKYOKMOMNNDG-RYUDHWBXSA-N 0 3 303.328 2.476 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000456391486 247149099 /nfs/dbraw/zinc/14/90/99/247149099.db2.gz FBGFVFXVPNWPKC-ZACQAIPSSA-N 0 3 300.402 2.426 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)c(C)n2)CC1 ZINC000458337635 248268474 /nfs/dbraw/zinc/26/84/74/248268474.db2.gz RGINEUQHFUKLOP-UHFFFAOYSA-N 0 3 302.422 2.148 20 30 DEEDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000493519049 249313241 /nfs/dbraw/zinc/31/32/41/249313241.db2.gz LCKMYQGYVZXYDR-BJIFSAINSA-N 0 3 313.401 2.155 20 30 DEEDHN C[C@H]1CN(CC2CCN(c3cccnc3C#N)CC2)C[C@H](C)O1 ZINC000273926386 211181206 /nfs/dbraw/zinc/18/12/06/211181206.db2.gz BUWZSELNZQWMIZ-GJZGRUSLSA-N 0 3 314.433 2.279 20 30 DEEDHN CCN1CCC[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000105807541 194133546 /nfs/dbraw/zinc/13/35/46/194133546.db2.gz KAKBOISPVJSQHN-JCVNQNCUSA-N 0 3 313.401 2.203 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000106037321 194180931 /nfs/dbraw/zinc/18/09/31/194180931.db2.gz FLLGMXHWQDXFAT-UHFFFAOYSA-N 0 3 322.430 2.305 20 30 DEEDHN C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OC)cc2[O-])CC1 ZINC000106291263 194194789 /nfs/dbraw/zinc/19/47/89/194194789.db2.gz MVBCZUMLJSDEDZ-UHFFFAOYSA-N 0 3 304.390 2.171 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC1(F)F ZINC000294543431 224079883 /nfs/dbraw/zinc/07/98/83/224079883.db2.gz RRXRGSIQXKACSO-CQSZACIVSA-N 0 3 307.344 2.104 20 30 DEEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)N ZINC000157127764 197164150 /nfs/dbraw/zinc/16/41/50/197164150.db2.gz ONOSLHOIOXRWRZ-SECBINFHSA-N 0 3 315.186 2.450 20 30 DEEDHN C#CCOc1ccccc1CN[C@@H](C)CC(=O)N(CC)CC ZINC000271423194 208901524 /nfs/dbraw/zinc/90/15/24/208901524.db2.gz CCPQTCMLEQXDGK-HNNXBMFYSA-N 0 3 302.418 2.435 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000329779501 285233084 /nfs/dbraw/zinc/23/30/84/285233084.db2.gz QZNMXQRXHSJLSA-BARDWOONSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C ZINC000289997246 221368881 /nfs/dbraw/zinc/36/88/81/221368881.db2.gz RLFRRXUSSJWXNA-NFAWXSAZSA-N 0 3 321.446 2.141 20 30 DEEDHN C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000121148430 195298877 /nfs/dbraw/zinc/29/88/77/195298877.db2.gz CPYDIGVRPQPDNZ-PBHICJAKSA-N 0 3 300.402 2.111 20 30 DEEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1CCCN(C(C)C)CC1 ZINC000292349385 533365945 /nfs/dbraw/zinc/36/59/45/533365945.db2.gz DOIICBYLETWUSU-KRWDZBQOSA-N 0 3 315.417 2.188 20 30 DEEDHN CO[C@]1(C)CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331827122 533370009 /nfs/dbraw/zinc/37/00/09/533370009.db2.gz CUGCPFMTTCJRDZ-UAGQMJEPSA-N 0 3 309.454 2.320 20 30 DEEDHN CC(C)C[C@@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000563149087 292034651 /nfs/dbraw/zinc/03/46/51/292034651.db2.gz DULONWPSCHMSKE-HZPDHXFCSA-N 0 3 313.405 2.284 20 30 DEEDHN CC(C)N(Cc1cccnc1)C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000563151503 292034693 /nfs/dbraw/zinc/03/46/93/292034693.db2.gz XHHDTXMBLKDMAI-HNNXBMFYSA-N 0 3 310.405 2.102 20 30 DEEDHN Cc1occc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001422621728 1172771398 /nfs/dbraw/zinc/77/13/98/1172771398.db2.gz AXIIJVBYMASYSJ-JTQLQIEISA-N 0 3 303.387 2.429 20 30 DEEDHN Cn1cc(C(=O)NCCN2CCCCCC2)c([C@H]2CCOC2)n1 ZINC000329888368 404483277 /nfs/dbraw/zinc/48/32/77/404483277.db2.gz YUVGPBFPMSRCJL-AWEZNQCLSA-N 0 3 320.437 2.105 20 30 DEEDHN C[C@](O)(CNCc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000564985188 292125005 /nfs/dbraw/zinc/12/50/05/292125005.db2.gz FDBVFTVPXQTTFD-KRWDZBQOSA-N 0 3 313.405 2.022 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCN3CCCC[C@H]3C2)c1 ZINC000246285050 145097099 /nfs/dbraw/zinc/09/70/99/145097099.db2.gz ACQYWWORGSCFMP-KRWDZBQOSA-N 0 3 312.417 2.057 20 30 DEEDHN N#Cc1cccc(OCCN[C@H](CO)c2cccc(F)c2)c1 ZINC000359533279 147345346 /nfs/dbraw/zinc/34/53/46/147345346.db2.gz XLSJOGJZQRJIQI-QGZVFWFLSA-N 0 3 300.333 2.399 20 30 DEEDHN COc1cncc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)n1 ZINC000565661456 292175470 /nfs/dbraw/zinc/17/54/70/292175470.db2.gz VBUHGOWOSPODBI-UHFFFAOYSA-N 0 3 312.329 2.153 20 30 DEEDHN CCN1CCC(NC(=O)CSc2cccc(F)c2C#N)CC1 ZINC000565962418 292194190 /nfs/dbraw/zinc/19/41/90/292194190.db2.gz ITXAKDOFQSPGFR-UHFFFAOYSA-N 0 3 321.421 2.390 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cscc2C)CC1 ZINC000126472942 401695813 /nfs/dbraw/zinc/69/58/13/401695813.db2.gz MGLBFDDNMWAUGP-UHFFFAOYSA-N 0 3 321.446 2.152 20 30 DEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)CC)C2)cc1 ZINC000126471808 401695831 /nfs/dbraw/zinc/69/58/31/401695831.db2.gz XVNUZIDDVIRZED-HOCLYGCPSA-N 0 3 300.402 2.360 20 30 DEEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115443977 401828481 /nfs/dbraw/zinc/82/84/81/401828481.db2.gz GEHFOXHYPZDNGP-GDBMZVCRSA-N 0 3 315.417 2.126 20 30 DEEDHN C=CCn1c(SCCN(CC)CC)nnc1-c1cnccn1 ZINC000131207973 401845693 /nfs/dbraw/zinc/84/56/93/401845693.db2.gz AQBLUIYMJMBVJB-UHFFFAOYSA-N 0 3 318.450 2.355 20 30 DEEDHN C[C@@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000135195964 401930219 /nfs/dbraw/zinc/93/02/19/401930219.db2.gz YZNOMBANOBWJSV-HZPDHXFCSA-N 0 3 315.461 2.375 20 30 DEEDHN CN(CCOCC1CC1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000088558577 401933241 /nfs/dbraw/zinc/93/32/41/401933241.db2.gz SKSKXJRSCIGDMG-UHFFFAOYSA-N 0 3 301.390 2.245 20 30 DEEDHN CCN1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000118827128 401910245 /nfs/dbraw/zinc/91/02/45/401910245.db2.gz BJFWWOFRUYTWBN-ZDUSSCGKSA-N 0 3 318.421 2.123 20 30 DEEDHN C[C@@H]1SCCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H]1C ZINC000134774093 401914111 /nfs/dbraw/zinc/91/41/11/401914111.db2.gz NUMNARKQNHDKJK-YDHLFZDLSA-N 0 3 306.431 2.124 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000046043860 401964951 /nfs/dbraw/zinc/96/49/51/401964951.db2.gz JURWIPFDXKIOPZ-UHFFFAOYSA-N 0 3 302.422 2.287 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCC1CCOCC1 ZINC000120410981 401989443 /nfs/dbraw/zinc/98/94/43/401989443.db2.gz PQDQVDGONJMFIQ-YOEHRIQHSA-N 0 3 309.454 2.178 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2c(C)nn(CC)c2C)CC1 ZINC000089475346 401949278 /nfs/dbraw/zinc/94/92/78/401949278.db2.gz YXPQMVKJVYCJLX-UHFFFAOYSA-N 0 3 305.426 2.292 20 30 DEEDHN CN(C)CCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000049575624 402019861 /nfs/dbraw/zinc/01/98/61/402019861.db2.gz OFYXYVYCLLZNRB-UHFFFAOYSA-N 0 3 318.402 2.076 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000121252750 402023481 /nfs/dbraw/zinc/02/34/81/402023481.db2.gz KHNORADNMJPYIE-IAGOWNOFSA-N 0 3 321.465 2.284 20 30 DEEDHN Cc1ccc(NC(=O)CSCC#N)c(OCCN(C)C)c1 ZINC000151364543 402032816 /nfs/dbraw/zinc/03/28/16/402032816.db2.gz LNUFUFANCMBBNK-UHFFFAOYSA-N 0 3 307.419 2.131 20 30 DEEDHN C#CCSCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000121512977 402040677 /nfs/dbraw/zinc/04/06/77/402040677.db2.gz YPTIZXZQSMWOMJ-HNNXBMFYSA-N 0 3 309.479 2.013 20 30 DEEDHN CCC(CC)(CNCC(=O)Nc1ccc(C#N)cc1)C(=O)OC ZINC000120899414 402006403 /nfs/dbraw/zinc/00/64/03/402006403.db2.gz MYKQJHNGINNJJD-UHFFFAOYSA-N 0 3 317.389 2.066 20 30 DEEDHN COC(=O)CN1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000123126208 402112027 /nfs/dbraw/zinc/11/20/27/402112027.db2.gz NOPPCEKOHLJQDN-KRWDZBQOSA-N 0 3 315.417 2.258 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000153330553 402139461 /nfs/dbraw/zinc/13/94/61/402139461.db2.gz RXZTXRUSCKKDEJ-SFHVURJKSA-N 0 3 309.413 2.493 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000067044867 402150970 /nfs/dbraw/zinc/15/09/70/402150970.db2.gz MPMSUXZZVNVFIT-JCVNQNCUSA-N 0 3 313.401 2.155 20 30 DEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000154233244 402200497 /nfs/dbraw/zinc/20/04/97/402200497.db2.gz AFCJITRBRDVRFQ-INIZCTEOSA-N 0 3 300.406 2.194 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000103070019 402177751 /nfs/dbraw/zinc/17/77/51/402177751.db2.gz WQBJVMXORLBKTE-AWEZNQCLSA-N 0 3 317.458 2.498 20 30 DEEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCOC1 ZINC000106886201 402220163 /nfs/dbraw/zinc/22/01/63/402220163.db2.gz MJVINFQDYJBNPW-NSHDSACASA-N 0 3 319.430 2.158 20 30 DEEDHN CN(C)[C@H](CNC(=O)N1CCC(C#N)CC1)Cc1ccccc1 ZINC000105082607 402206027 /nfs/dbraw/zinc/20/60/27/402206027.db2.gz HUDVOHOHEKATSZ-KRWDZBQOSA-N 0 3 314.433 2.104 20 30 DEEDHN CCc1nc(CO/N=C/c2ccc(N3CCOCC3)cc2)no1 ZINC000109061120 402267453 /nfs/dbraw/zinc/26/74/53/402267453.db2.gz GWBAXPURWDYROC-GZTJUZNOSA-N 0 3 316.361 2.019 20 30 DEEDHN C=C(C)COc1cccc(NC(=O)NCCN(CC)CCO)c1 ZINC000185407206 402350397 /nfs/dbraw/zinc/35/03/97/402350397.db2.gz KTZNIXYFPUCTKO-UHFFFAOYSA-N 0 3 321.421 2.077 20 30 DEEDHN C#CCOc1ccccc1CN[C@H]1CCN(C(=O)OCC)C1 ZINC000185773567 402376057 /nfs/dbraw/zinc/37/60/57/402376057.db2.gz GYHOCOYJZBQQFM-HNNXBMFYSA-N 0 3 302.374 2.019 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185811010 402378841 /nfs/dbraw/zinc/37/88/41/402378841.db2.gz PGFBAQPTOSZBEZ-VNHYZAJKSA-N 0 3 321.446 2.328 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177527038 402412997 /nfs/dbraw/zinc/41/29/97/402412997.db2.gz LJGWCSBEPBALJI-IJEWVQPXSA-N 0 3 315.417 2.265 20 30 DEEDHN N#CCCn1cc(CN2CCC(O)CC2)c(-c2ccccc2)n1 ZINC000162244414 402414512 /nfs/dbraw/zinc/41/45/12/402414512.db2.gz BPJJILVSGURDDO-UHFFFAOYSA-N 0 3 310.401 2.420 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1[C@@H](CO)CCC[C@@H]1C ZINC000162353716 402417064 /nfs/dbraw/zinc/41/70/64/402417064.db2.gz UOWBSMJWSHZASF-DZGCQCFKSA-N 0 3 304.390 2.181 20 30 DEEDHN CCO[C@@H]1C[C@@](CO)(NCCOc2cccc(C#N)c2)C1(C)C ZINC000190017348 402570628 /nfs/dbraw/zinc/57/06/28/402570628.db2.gz HWPMMZCBQSRHHT-AEFFLSMTSA-N 0 3 318.417 2.093 20 30 DEEDHN CCN(Cc1cc(=O)n2nccc2[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000170884470 402537456 /nfs/dbraw/zinc/53/74/56/402537456.db2.gz NLROWLDLUCVCGU-CYBMUJFWSA-N 0 3 321.384 2.477 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000171680301 402609019 /nfs/dbraw/zinc/60/90/19/402609019.db2.gz IVZDFTPHBDMVPM-UHFFFAOYSA-N 0 3 304.350 2.367 20 30 DEEDHN C=CCN1CCC(NC(=O)/C=C/c2cnc3ccccc3n2)CC1 ZINC000171726401 402614783 /nfs/dbraw/zinc/61/47/83/402614783.db2.gz FSUVIMJQBUCAFL-BQYQJAHWSA-N 0 3 322.412 2.410 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000171741301 402617579 /nfs/dbraw/zinc/61/75/79/402617579.db2.gz MHBYNDGIPHAJTI-UHFFFAOYSA-N 0 3 316.405 2.417 20 30 DEEDHN Cn1cc(CNCc2ccc(CN3CCCC3=O)cc2)cc1C#N ZINC000190839582 402626478 /nfs/dbraw/zinc/62/64/78/402626478.db2.gz CIWIFMOBHHTOIN-UHFFFAOYSA-N 0 3 322.412 2.309 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000181116852 402635988 /nfs/dbraw/zinc/63/59/88/402635988.db2.gz ICOJXHMFKBEXCK-INIZCTEOSA-N 0 3 323.481 2.485 20 30 DEEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191293439 402657963 /nfs/dbraw/zinc/65/79/63/402657963.db2.gz TYYAMGWYAJMIOI-GOEBONIOSA-N 0 3 316.449 2.414 20 30 DEEDHN CN(C)C(=O)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000182237478 402675181 /nfs/dbraw/zinc/67/51/81/402675181.db2.gz OXDUCGYKJBMMBC-UHFFFAOYSA-N 0 3 315.417 2.127 20 30 DEEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000182305811 402679864 /nfs/dbraw/zinc/67/98/64/402679864.db2.gz DQYYQISEHJZRDO-KKUMJFAQSA-N 0 3 307.438 2.265 20 30 DEEDHN CO[C@H](C)[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191702077 402687358 /nfs/dbraw/zinc/68/73/58/402687358.db2.gz FGZKMUKQGOZBGO-ZENOOKHLSA-N 0 3 301.390 2.067 20 30 DEEDHN N#CCC[C@@H](C#N)CN1CCC(CCCN2CCOCC2)CC1 ZINC000182968146 402729891 /nfs/dbraw/zinc/72/98/91/402729891.db2.gz JKLNRBQCGVOPNS-SFHVURJKSA-N 0 3 318.465 2.254 20 30 DEEDHN CC(C)N(CCN1CCOC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000192703163 402745172 /nfs/dbraw/zinc/74/51/72/402745172.db2.gz PRVAWLMHTOIPPW-MRXNPFEDSA-N 0 3 301.434 2.489 20 30 DEEDHN CCn1nccc1N1CCC[C@@H](N[C@@H]2CCC[C@H](C#N)C2)C1=O ZINC000193351670 402770642 /nfs/dbraw/zinc/77/06/42/402770642.db2.gz MQLQQQWKOWPSNP-RRFJBIMHSA-N 0 3 315.421 2.070 20 30 DEEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCO1 ZINC000184069606 402815688 /nfs/dbraw/zinc/81/56/88/402815688.db2.gz YLVHBWFRYLNDBF-IAOVAPTHSA-N 0 3 313.401 2.211 20 30 DEEDHN CN(CCNC(=O)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000194872333 402820108 /nfs/dbraw/zinc/82/01/08/402820108.db2.gz NWYRHVMCJXAPAX-UHFFFAOYSA-N 0 3 307.397 2.349 20 30 DEEDHN CCC(CC)N(CCOC)CC(=O)NCc1ccc(C#N)cc1 ZINC000264004834 402828844 /nfs/dbraw/zinc/82/88/44/402828844.db2.gz PJNARXQNDNSTHC-UHFFFAOYSA-N 0 3 317.433 2.311 20 30 DEEDHN COc1ccc(CN[C@@H](C)C[S@](C)=O)cc1OCCCC#N ZINC000184266847 402831417 /nfs/dbraw/zinc/83/14/17/402831417.db2.gz NOECLQYSBITSIZ-XMHCIUCPSA-N 0 3 324.446 2.234 20 30 DEEDHN CC[C@@H](N[C@@H](CC)C(=O)N1CCOCC1)c1ccc(C#N)cc1 ZINC000278356650 402863477 /nfs/dbraw/zinc/86/34/77/402863477.db2.gz BDBMVLJOMXLKKS-SJORKVTESA-N 0 3 315.417 2.236 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000278827845 402875626 /nfs/dbraw/zinc/87/56/26/402875626.db2.gz JKFPCSBVQCADIJ-SUMDDJOVSA-N 0 3 316.445 2.483 20 30 DEEDHN C=CCC[C@H](NC1CCN(CC(=O)NC)CC1)c1ccco1 ZINC000278873336 402880836 /nfs/dbraw/zinc/88/08/36/402880836.db2.gz GLBKXVONJWHFHR-HNNXBMFYSA-N 0 3 305.422 2.087 20 30 DEEDHN C=CCNC(=O)CNC1CCN(Cc2ccccc2Cl)CC1 ZINC000272057118 402891940 /nfs/dbraw/zinc/89/19/40/402891940.db2.gz STNXXURQVTYKDG-UHFFFAOYSA-N 0 3 321.852 2.196 20 30 DEEDHN CCN1CCN(C[C@@H](C)CNc2ncc(C#N)cc2Cl)CC1 ZINC000265171492 402897875 /nfs/dbraw/zinc/89/78/75/402897875.db2.gz YRHIFKIYJCVVRH-ZDUSSCGKSA-N 0 3 321.856 2.292 20 30 DEEDHN CC[C@@H]1CN(c2c(C#N)cnc3ccccc32)CCN1C[C@@H](C)O ZINC000266419679 402968754 /nfs/dbraw/zinc/96/87/54/402968754.db2.gz RVCWGMIACPXPGR-GDBMZVCRSA-N 0 3 324.428 2.388 20 30 DEEDHN CC(C)CCOCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279497389 402949035 /nfs/dbraw/zinc/94/90/35/402949035.db2.gz JUWFNJRRQDDLHR-KRWDZBQOSA-N 0 3 313.401 2.419 20 30 DEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2CCO)cc1Cl ZINC000279210455 402916949 /nfs/dbraw/zinc/91/69/49/402916949.db2.gz GWRRDYINVKLEIG-XHDPSFHLSA-N 0 3 321.808 2.291 20 30 DEEDHN N#CCOc1ccc(CN2CCOCC3(CCOCC3)C2)cc1 ZINC000273063244 402967438 /nfs/dbraw/zinc/96/74/38/402967438.db2.gz MYWFQNQXYSXRRN-UHFFFAOYSA-N 0 3 316.401 2.218 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000279276812 402925525 /nfs/dbraw/zinc/92/55/25/402925525.db2.gz WDCCIJCKTIIZQK-KRWDZBQOSA-N 0 3 308.397 2.043 20 30 DEEDHN C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccc(C#N)cc1 ZINC000272358875 402927755 /nfs/dbraw/zinc/92/77/55/402927755.db2.gz FDFCOAZXPYISDK-XKQJLSEDSA-N 0 3 312.417 2.355 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(N)n1)C(C)C ZINC000272368308 402928564 /nfs/dbraw/zinc/92/85/64/402928564.db2.gz UEHJJWDKYPZQPJ-HNNXBMFYSA-N 0 3 302.422 2.092 20 30 DEEDHN CC(C)(C)C[C@@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280436165 402999890 /nfs/dbraw/zinc/99/98/90/402999890.db2.gz QKAYTCRKKJDQDV-JKSUJKDBSA-N 0 3 313.401 2.154 20 30 DEEDHN Cc1n[nH]cc1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280170354 402971496 /nfs/dbraw/zinc/97/14/96/402971496.db2.gz BZJSYKCVHMAMHK-QGZVFWFLSA-N 0 3 321.384 2.021 20 30 DEEDHN CN(C)CCOc1cc(-c2noc(C3(C#N)CCC3)n2)ccn1 ZINC000273977311 403028911 /nfs/dbraw/zinc/02/89/11/403028911.db2.gz PFBFDSSDFVYSEE-UHFFFAOYSA-N 0 3 313.361 2.017 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)=O)cn2)CC1 ZINC000273211715 402983415 /nfs/dbraw/zinc/98/34/15/402983415.db2.gz NKQQRGUWNZENRQ-UHFFFAOYSA-N 0 3 316.405 2.446 20 30 DEEDHN CN(C)Cc1ccc(C(N)=NOCc2cncc(F)c2)cc1 ZINC000280994700 403056384 /nfs/dbraw/zinc/05/63/84/403056384.db2.gz NBAIZLPTIJBEID-UHFFFAOYSA-N 0 3 302.353 2.119 20 30 DEEDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(OCC#N)cc1 ZINC000281318377 403064252 /nfs/dbraw/zinc/06/42/52/403064252.db2.gz ZQYVNMMHCNCMLZ-CYBMUJFWSA-N 0 3 322.430 2.207 20 30 DEEDHN CN(CC1(O)CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281476831 403069556 /nfs/dbraw/zinc/06/95/56/403069556.db2.gz HANLTDMUWZKPBI-MRXNPFEDSA-N 0 3 311.385 2.004 20 30 DEEDHN C=CCOc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1OC ZINC000281643793 403077872 /nfs/dbraw/zinc/07/78/72/403077872.db2.gz HNNWSOHNJNWSDY-UHFFFAOYSA-N 0 3 318.417 2.474 20 30 DEEDHN C#CCSCCNCc1ccnn1-c1ccccc1OC ZINC000281675400 403080553 /nfs/dbraw/zinc/08/05/53/403080553.db2.gz OGHJMIXAROKQSR-UHFFFAOYSA-N 0 3 301.415 2.337 20 30 DEEDHN C=CCC[C@H](O)CN(C)Cc1ccccc1N1CCOCC1 ZINC000268682058 403106013 /nfs/dbraw/zinc/10/60/13/403106013.db2.gz XFEKQGSRVUDXKP-KRWDZBQOSA-N 0 3 304.434 2.282 20 30 DEEDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000269288410 403128282 /nfs/dbraw/zinc/12/82/82/403128282.db2.gz SISVNLAHTNHOMU-IRXDYDNUSA-N 0 3 310.401 2.237 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](CC)C(=O)OC)C(C)C ZINC000277280348 403200959 /nfs/dbraw/zinc/20/09/59/403200959.db2.gz PPRCKNHGABROES-CABCVRRESA-N 0 3 310.438 2.000 20 30 DEEDHN C=CCCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000270472439 403193757 /nfs/dbraw/zinc/19/37/57/403193757.db2.gz VOIKFRUBYIUZFS-QGZVFWFLSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCCOCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000270526467 403198330 /nfs/dbraw/zinc/19/83/30/403198330.db2.gz UQFBARLTPNDIEM-QGZVFWFLSA-N 0 3 319.449 2.051 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3nonc32)CC1 ZINC000284048648 403241185 /nfs/dbraw/zinc/24/11/85/403241185.db2.gz PRSPXZKCLVTZBJ-UHFFFAOYSA-N 0 3 315.377 2.385 20 30 DEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271082850 403262222 /nfs/dbraw/zinc/26/22/22/403262222.db2.gz JJJOTSXTBVELFH-OAHLLOKOSA-N 0 3 301.390 2.031 20 30 DEEDHN Cn1ccc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000271087418 403262849 /nfs/dbraw/zinc/26/28/49/403262849.db2.gz PZPLVVLMERPOMC-UHFFFAOYSA-N 0 3 311.389 2.167 20 30 DEEDHN C[C@H](NCCC(=O)N(C)CCC#N)[C@H]1OCCc2sccc21 ZINC000292297292 403347584 /nfs/dbraw/zinc/34/75/84/403347584.db2.gz CWEDJGWIFPJBTN-BLLLJJGKSA-N 0 3 321.446 2.102 20 30 DEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)cc1 ZINC000285646484 403348305 /nfs/dbraw/zinc/34/83/05/403348305.db2.gz DLZISBMFWNCZDH-GDBMZVCRSA-N 0 3 313.401 2.022 20 30 DEEDHN C[C@@H]1CC(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000339089655 403350154 /nfs/dbraw/zinc/35/01/54/403350154.db2.gz BOTFQBJKZPHUIJ-XNJGSVPQSA-N 0 3 315.417 2.268 20 30 DEEDHN CS[C@H]1CN(c2nc(C)c(C#N)cc2Cl)C[C@H]1N(C)C ZINC000292501202 403364136 /nfs/dbraw/zinc/36/41/36/403364136.db2.gz FTDOVWXYRZPESX-OLZOCXBDSA-N 0 3 310.854 2.397 20 30 DEEDHN CC(C)(C)OC(=O)[C@]12CCC[C@H]1CN(CCOCCC#N)C2 ZINC000339157604 403371042 /nfs/dbraw/zinc/37/10/42/403371042.db2.gz LJQBVMYHNZBZQT-YOEHRIQHSA-N 0 3 308.422 2.360 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000331409852 403377893 /nfs/dbraw/zinc/37/78/93/403377893.db2.gz JANAJRCXNNHNAW-OAHLLOKOSA-N 0 3 300.406 2.285 20 30 DEEDHN CCOc1ccnc(N2CCCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000292938769 403383109 /nfs/dbraw/zinc/38/31/09/403383109.db2.gz ZSFBNHFSUXITAU-CABCVRRESA-N 0 3 315.421 2.080 20 30 DEEDHN C[C@H](CNC(=O)COc1ccccc1C#N)N1CCC[C@H](C)C1 ZINC000298504305 403398789 /nfs/dbraw/zinc/39/87/89/403398789.db2.gz QEEBRVBSNMHRIP-LSDHHAIUSA-N 0 3 315.417 2.174 20 30 DEEDHN CS[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H]1N(C)C ZINC000285909907 403409172 /nfs/dbraw/zinc/40/91/72/403409172.db2.gz YYOWBGPNALMCLC-UONOGXRCSA-N 0 3 323.849 2.329 20 30 DEEDHN Cc1oc(NC(=O)CN[C@@H](C2CC2)C(C)(C)CO)c(C#N)c1C ZINC000293221794 403418528 /nfs/dbraw/zinc/41/85/28/403418528.db2.gz XZWUMIVOZBWGOI-HNNXBMFYSA-N 0 3 319.405 2.093 20 30 DEEDHN CC#CCCNC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000345782023 403482869 /nfs/dbraw/zinc/48/28/69/403482869.db2.gz IWPLGFBZNADUFT-NWDGAFQWSA-N 0 3 304.356 2.425 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1=CCCOC1)C(C)C ZINC000287000243 403551816 /nfs/dbraw/zinc/55/18/16/403551816.db2.gz FJKWXCZVZJPIMD-KRWDZBQOSA-N 0 3 321.465 2.331 20 30 DEEDHN C=CCc1cc(CN[C@H]2CCC[C@@H]2C(=O)NC)cc(OC)c1O ZINC000345818320 403495984 /nfs/dbraw/zinc/49/59/84/403495984.db2.gz OXEYKLKHPSTRHM-GJZGRUSLSA-N 0 3 318.417 2.134 20 30 DEEDHN C#CCN(C)CCCNC(=O)CSc1ccc(F)c(F)c1 ZINC000293926980 403601138 /nfs/dbraw/zinc/60/11/38/403601138.db2.gz HOYHVFULMZRXRD-UHFFFAOYSA-N 0 3 312.385 2.128 20 30 DEEDHN C#CCN(C)CCCNC(=O)/C=C/c1nc2ccccc2s1 ZINC000294028132 403628928 /nfs/dbraw/zinc/62/89/28/403628928.db2.gz REQAQQVPVILURE-MDZDMXLPSA-N 0 3 313.426 2.381 20 30 DEEDHN C#CCN(C)CCCNC(=O)Cc1coc2cc(OC)ccc12 ZINC000294090351 403644729 /nfs/dbraw/zinc/64/47/29/403644729.db2.gz XLQHQNVJYKVAOH-UHFFFAOYSA-N 0 3 314.385 2.055 20 30 DEEDHN C=CCN(CCn1cccn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343572881 403645506 /nfs/dbraw/zinc/64/55/06/403645506.db2.gz PBUBPPIBYRITCW-OAHLLOKOSA-N 0 3 323.404 2.108 20 30 DEEDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ccc(C#N)nn1 ZINC000301924224 403701857 /nfs/dbraw/zinc/70/18/57/403701857.db2.gz GLNZAOGJPGHALU-UHFFFAOYSA-N 0 3 317.343 2.195 20 30 DEEDHN N#Cc1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1Cl ZINC000301594391 403651466 /nfs/dbraw/zinc/65/14/66/403651466.db2.gz YMIGZQBYNNLGJZ-CYBMUJFWSA-N 0 3 305.809 2.370 20 30 DEEDHN CN1CC=C(CNc2ncc(Br)cc2C#N)CC1 ZINC000295132575 403770332 /nfs/dbraw/zinc/77/03/32/403770332.db2.gz YHZMFYFGDSCVET-UHFFFAOYSA-N 0 3 307.195 2.390 20 30 DEEDHN Cn1nccc1N1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000333511911 403770297 /nfs/dbraw/zinc/77/02/97/403770297.db2.gz FIRNIJUUBKKJQD-ZDUSSCGKSA-N 0 3 301.419 2.112 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000294369846 403715654 /nfs/dbraw/zinc/71/56/54/403715654.db2.gz QVLPRPVVZGNVOE-CQSZACIVSA-N 0 3 314.433 2.038 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000288586771 403758719 /nfs/dbraw/zinc/75/87/19/403758719.db2.gz XTWNKODWFUTWNR-CHEZLUQTSA-N 0 3 315.417 2.366 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)c1snc(C)c1C#N ZINC000341069414 403759650 /nfs/dbraw/zinc/75/96/50/403759650.db2.gz MHFGNYANHIAZCK-UHFFFAOYSA-N 0 3 321.494 2.177 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CCNC(C)=O)C1 ZINC000347683064 403804110 /nfs/dbraw/zinc/80/41/10/403804110.db2.gz PPJWIEHOCVQARO-WBVHZDCISA-N 0 3 323.481 2.038 20 30 DEEDHN N#CC(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccncn1 ZINC000354462288 403813868 /nfs/dbraw/zinc/81/38/68/403813868.db2.gz HHQMVZYVNQMSLP-AWEZNQCLSA-N 0 3 306.325 2.315 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000354601885 403898033 /nfs/dbraw/zinc/89/80/33/403898033.db2.gz WGJNNDGXLXJYOX-ZFWWWQNUSA-N 0 3 321.446 2.052 20 30 DEEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C)CC2)cc1 ZINC000351691164 403853939 /nfs/dbraw/zinc/85/39/39/403853939.db2.gz HLBFJLLBGSDLQU-LLVKDONJSA-N 0 3 321.402 2.294 20 30 DEEDHN C[C@H]1CN(C(=O)c2ccccc2OCC#N)CCN(C2CC2)C1 ZINC000295362948 403881899 /nfs/dbraw/zinc/88/18/99/403881899.db2.gz ODXXXJYDLASFFE-CQSZACIVSA-N 0 3 313.401 2.145 20 30 DEEDHN C#C[C@@H](N[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)C(C)C ZINC000289351152 403922599 /nfs/dbraw/zinc/92/25/99/403922599.db2.gz JCAIROXRUYWIJA-CZUORRHYSA-N 0 3 316.401 2.438 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000305829696 403947421 /nfs/dbraw/zinc/94/74/21/403947421.db2.gz NQLVEZOULYIZDM-DOTOQJQBSA-N 0 3 323.481 2.219 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)Cc1cccc(C#N)c1 ZINC000344160046 403948147 /nfs/dbraw/zinc/94/81/47/403948147.db2.gz WXKGUHIXPLMTAE-UHFFFAOYSA-N 0 3 314.477 2.408 20 30 DEEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1cnc2ccc(C#N)cn12 ZINC000344226769 403991329 /nfs/dbraw/zinc/99/13/29/403991329.db2.gz XKDPLTZYSCDWJO-GFCCVEGCSA-N 0 3 314.389 2.416 20 30 DEEDHN C=CCN1CCC(NCc2cn(-c3ccccc3C)nn2)CC1 ZINC000289762668 403996091 /nfs/dbraw/zinc/99/60/91/403996091.db2.gz OQDXGUUOFXJIAY-UHFFFAOYSA-N 0 3 311.433 2.316 20 30 DEEDHN C#Cc1ccc(CN[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000289968003 404011074 /nfs/dbraw/zinc/01/10/74/404011074.db2.gz BPVQDKDVOPRZAS-LJQANCHMSA-N 0 3 319.408 2.344 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CC(=O)OC)CC1 ZINC000348041511 404019372 /nfs/dbraw/zinc/01/93/72/404019372.db2.gz DKQDEAWGXBEKLC-AWEZNQCLSA-N 0 3 310.438 2.075 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000337438011 404025760 /nfs/dbraw/zinc/02/57/60/404025760.db2.gz IQNZXEKNJMTRKF-CZUORRHYSA-N 0 3 308.385 2.452 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cc(C)on2)CC1 ZINC000362970637 404029326 /nfs/dbraw/zinc/02/93/26/404029326.db2.gz MKJPWHHYIYUHTF-MRXNPFEDSA-N 0 3 318.421 2.480 20 30 DEEDHN C=CCOCCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000347957765 403977726 /nfs/dbraw/zinc/97/77/26/403977726.db2.gz ACVPHFVWKBYFML-UHFFFAOYSA-N 0 3 302.418 2.427 20 30 DEEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@@H]2OC(F)F)CCCCC1 ZINC000348522789 404077004 /nfs/dbraw/zinc/07/70/04/404077004.db2.gz ZRUHDCRNDCBVTL-RYUDHWBXSA-N 0 3 315.364 2.079 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2sccc2C#N)C1(C)C ZINC000296077638 404083686 /nfs/dbraw/zinc/08/36/86/404083686.db2.gz PTYDXSMBCRHTQC-JIMOISOXSA-N 0 3 307.419 2.207 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCSC1 ZINC000290220716 404086137 /nfs/dbraw/zinc/08/61/37/404086137.db2.gz QSQNEILLYRKKJU-OAHLLOKOSA-N 0 3 322.409 2.256 20 30 DEEDHN N#Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000348090474 404039080 /nfs/dbraw/zinc/03/90/80/404039080.db2.gz UKZTZNZJLFMOCA-SFHVURJKSA-N 0 3 314.348 2.429 20 30 DEEDHN COC1([C@H](C)NCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000412020684 404059372 /nfs/dbraw/zinc/05/93/72/404059372.db2.gz LQTULNQWTKIOEA-HNNXBMFYSA-N 0 3 315.417 2.480 20 30 DEEDHN O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328657460 404125586 /nfs/dbraw/zinc/12/55/86/404125586.db2.gz PAPKCRIZNMVQAZ-NSHDSACASA-N 0 3 317.368 2.419 20 30 DEEDHN O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328657460 404125589 /nfs/dbraw/zinc/12/55/89/404125589.db2.gz PAPKCRIZNMVQAZ-NSHDSACASA-N 0 3 317.368 2.419 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000296196033 404136522 /nfs/dbraw/zinc/13/65/22/404136522.db2.gz DCQXEXWFQOVSMQ-AWEZNQCLSA-N 0 3 303.406 2.011 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000296227137 404152757 /nfs/dbraw/zinc/15/27/57/404152757.db2.gz MYJNMKRCUQHUQB-JKSUJKDBSA-N 0 3 313.401 2.434 20 30 DEEDHN C[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)S(C)(=O)=O ZINC000567343610 292306773 /nfs/dbraw/zinc/30/67/73/292306773.db2.gz XHWNKBKTPMZDHO-BLLLJJGKSA-N 0 3 306.431 2.348 20 30 DEEDHN CCN1CCC[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC000328808483 404154293 /nfs/dbraw/zinc/15/42/93/404154293.db2.gz ADCBTEFNHJSOEY-ZDUSSCGKSA-N 0 3 301.394 2.135 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000363672304 404217619 /nfs/dbraw/zinc/21/76/19/404217619.db2.gz MPRXTTKUXSCDNK-NVXWUHKLSA-N 0 3 322.474 2.012 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)C[C@H](C)O ZINC000352211076 404217849 /nfs/dbraw/zinc/21/78/49/404217849.db2.gz IVZKRKURRZBIES-UONOGXRCSA-N 0 3 310.463 2.354 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)C2(C3CC3)CCOCC2)CC1 ZINC000363787552 404221292 /nfs/dbraw/zinc/22/12/92/404221292.db2.gz JPRPZYCIXYTNRQ-UHFFFAOYSA-N 0 3 306.450 2.350 20 30 DEEDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000296292364 404181276 /nfs/dbraw/zinc/18/12/76/404181276.db2.gz ZHEFCDPWFGCZEQ-CABCVRRESA-N 0 3 314.433 2.301 20 30 DEEDHN CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000328972873 404186538 /nfs/dbraw/zinc/18/65/38/404186538.db2.gz BXPYQPBWUWRHIZ-AWEZNQCLSA-N 0 3 307.438 2.074 20 30 DEEDHN C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CN1C1CC1 ZINC000290524065 404206616 /nfs/dbraw/zinc/20/66/16/404206616.db2.gz CSKSWPDJIGWKFE-SKDRFNHKSA-N 0 3 301.350 2.086 20 30 DEEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@@H](CO)C(C)C)cc1 ZINC000355149543 404246634 /nfs/dbraw/zinc/24/66/34/404246634.db2.gz XOZSXHPHNPTPDS-BBRMVZONSA-N 0 3 304.390 2.200 20 30 DEEDHN COc1cnc(NC(=O)N2CCC[C@@H]2CN2CCCC2)s1 ZINC000329226174 404271725 /nfs/dbraw/zinc/27/17/25/404271725.db2.gz ADSPOKUZWDHSRW-LLVKDONJSA-N 0 3 310.423 2.257 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1nnc(C2CC2)o1 ZINC000329233657 404273367 /nfs/dbraw/zinc/27/33/67/404273367.db2.gz HCKXHCGNTQQORF-NEPJUHHUSA-N 0 3 321.425 2.071 20 30 DEEDHN COC(=O)c1cn([C@@H]2CCCN(CCCC(C)(C)C#N)C2)nn1 ZINC000364001258 404280745 /nfs/dbraw/zinc/28/07/45/404280745.db2.gz LIWWHMBFLUSVDD-CYBMUJFWSA-N 0 3 319.409 2.032 20 30 DEEDHN O=C(CC1CCCC1)NCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000329413549 404329401 /nfs/dbraw/zinc/32/94/01/404329401.db2.gz CJTXIOCGEYOYHM-OAHLLOKOSA-N 0 3 322.453 2.217 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cnn(C(C)(C)C)c3)[C@@H]2C1 ZINC000329441539 404336622 /nfs/dbraw/zinc/33/66/22/404336622.db2.gz NBNQYPOUGHVQID-GXTWGEPZSA-N 0 3 305.426 2.210 20 30 DEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CC1CCCCC1 ZINC000352334831 404296017 /nfs/dbraw/zinc/29/60/17/404296017.db2.gz LHIKYTDZDSYESG-OAHLLOKOSA-N 0 3 307.438 2.433 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344686640 404305861 /nfs/dbraw/zinc/30/58/61/404305861.db2.gz BLNOYCHDBSSDND-XIRDDKMYSA-N 0 3 306.450 2.300 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000296639641 404312160 /nfs/dbraw/zinc/31/21/60/404312160.db2.gz ZPOROQKGGMSBEE-KRWDZBQOSA-N 0 3 312.417 2.286 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCCOC2)CC1 ZINC000355731081 404362834 /nfs/dbraw/zinc/36/28/34/404362834.db2.gz LMOPEDCCCYEFEJ-HUUCEWRRSA-N 0 3 309.454 2.141 20 30 DEEDHN C[C@@H]1C[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000412642667 404380817 /nfs/dbraw/zinc/38/08/17/404380817.db2.gz BJAAEBPYLJWXBB-DLTLXFJOSA-N 0 3 311.385 2.170 20 30 DEEDHN C[C@@H]1CSCCN(CC#CCN2CCSC[C@@H](C)C2)C1 ZINC000342127148 404384768 /nfs/dbraw/zinc/38/47/68/404384768.db2.gz LRIPNMMJESEFSO-HOTGVXAUSA-N 0 3 312.548 2.360 20 30 DEEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)N[C@H]1CCOC2(CCCC2)C1 ZINC000329743196 404439169 /nfs/dbraw/zinc/43/91/69/404439169.db2.gz XBFJBNGJAPPXAB-OLZOCXBDSA-N 0 3 318.421 2.262 20 30 DEEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)N[C@H]1CCOC2(CCCC2)C1 ZINC000329743196 404439171 /nfs/dbraw/zinc/43/91/71/404439171.db2.gz XBFJBNGJAPPXAB-OLZOCXBDSA-N 0 3 318.421 2.262 20 30 DEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000329801715 404457171 /nfs/dbraw/zinc/45/71/71/404457171.db2.gz JUUSPVHZKDKBBG-HRCADAONSA-N 0 3 309.454 2.180 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C12CCC2 ZINC000329819070 404462149 /nfs/dbraw/zinc/46/21/49/404462149.db2.gz XNEBIIIFRQJEFP-DRPJVOAASA-N 0 3 321.465 2.320 20 30 DEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](n3cccn3)C2)cc1 ZINC000291936120 404588584 /nfs/dbraw/zinc/58/85/84/404588584.db2.gz TVUVBHYSJXEOKB-INIZCTEOSA-N 0 3 309.373 2.030 20 30 DEEDHN Cc1noc([C@H](C)NC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000330142163 404563567 /nfs/dbraw/zinc/56/35/67/404563567.db2.gz QJCXLTZIPKGFJV-LBPRGKRZSA-N 0 3 321.425 2.303 20 30 DEEDHN C=C(C)Cn1c(COCC)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000338849827 404579084 /nfs/dbraw/zinc/57/90/84/404579084.db2.gz KMZZAAWIJSUBSS-HNNXBMFYSA-N 0 3 321.469 2.167 20 30 DEEDHN CCC[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N(C)C ZINC000356539991 404580587 /nfs/dbraw/zinc/58/05/87/404580587.db2.gz YWCUUIUDYZQOAH-QGZVFWFLSA-N 0 3 317.433 2.264 20 30 DEEDHN Cc1c([C@H]2OCC[C@@H]2NC(=O)CN2[C@H](C)CC[C@H]2C)cnn1C ZINC000330250640 404601315 /nfs/dbraw/zinc/60/13/15/404601315.db2.gz HHFFOPLKOHGARD-BKBUGSPTSA-N 0 3 320.437 2.388 20 30 DEEDHN C=CC[C@@H](CO)CNCc1cn2ccc(Br)cc2n1 ZINC000352793062 404624780 /nfs/dbraw/zinc/62/47/80/404624780.db2.gz DAXPUIJIWLOPNA-LLVKDONJSA-N 0 3 324.222 2.371 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000330337099 404630758 /nfs/dbraw/zinc/63/07/58/404630758.db2.gz SYOGRGSHRFWYIK-LNCBFAARSA-N 0 3 320.437 2.470 20 30 DEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000330337100 404630838 /nfs/dbraw/zinc/63/08/38/404630838.db2.gz SYOGRGSHRFWYIK-UICACZKSSA-N 0 3 320.437 2.470 20 30 DEEDHN O=C(NCCN1CCCCCC1)c1c[nH]nc1[C@H]1CCOC1 ZINC000330350993 404634281 /nfs/dbraw/zinc/63/42/81/404634281.db2.gz LTAGGCPNHXBODL-ZDUSSCGKSA-N 0 3 306.410 2.094 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 ZINC000330359175 404636879 /nfs/dbraw/zinc/63/68/79/404636879.db2.gz VSTRRHLSLQQCTR-JKSUJKDBSA-N 0 3 318.421 2.105 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)NCC(C)(C)C#N)o1 ZINC000358640781 404771112 /nfs/dbraw/zinc/77/11/12/404771112.db2.gz UHWWUHSIFTVPAV-UHFFFAOYSA-N 0 3 306.410 2.211 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000357795118 404743955 /nfs/dbraw/zinc/74/39/55/404743955.db2.gz JICHHXIIWPLQFT-DZGCQCFKSA-N 0 3 314.389 2.349 20 30 DEEDHN COc1cccc([C@H](CNC(=O)C(C)C#N)N2CCCC2)c1 ZINC000357807169 404744538 /nfs/dbraw/zinc/74/45/38/404744538.db2.gz TZNDFIVOTATQDB-BBRMVZONSA-N 0 3 301.390 2.108 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccccc2-n2cccn2)CC1 ZINC000357821005 404745880 /nfs/dbraw/zinc/74/58/80/404745880.db2.gz OJAZTPMUYZHDAV-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCn1cccc1C(=O)NCC1(SC)CCN(C)CC1 ZINC000358109049 404754199 /nfs/dbraw/zinc/75/41/99/404754199.db2.gz PLQGMTKMXBBWQJ-UHFFFAOYSA-N 0 3 307.463 2.231 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353012811 404720662 /nfs/dbraw/zinc/72/06/62/404720662.db2.gz QGOPIRPBPRYYBZ-ZVZYQTTQSA-N 0 3 302.418 2.265 20 30 DEEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccco1 ZINC000353356142 404811469 /nfs/dbraw/zinc/81/14/69/404811469.db2.gz RIIOIAMFBANJSX-RISCZKNCSA-N 0 3 300.362 2.339 20 30 DEEDHN CC[C@@H]1CCCCN1CCNS(=O)(=O)CC(C)(C)CC#N ZINC000451188601 404894496 /nfs/dbraw/zinc/89/44/96/404894496.db2.gz HSDPQWBGMNLAEG-CQSZACIVSA-N 0 3 315.483 2.110 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)CCN1C ZINC000353728542 404943593 /nfs/dbraw/zinc/94/35/93/404943593.db2.gz WLTSCTUZPHLAQD-CZUORRHYSA-N 0 3 312.417 2.329 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)NCc1csc(Br)c1 ZINC000424097460 405004741 /nfs/dbraw/zinc/00/47/41/405004741.db2.gz QXUSSWVOJNHLOV-SECBINFHSA-N 0 3 316.224 2.148 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000424117038 405011870 /nfs/dbraw/zinc/01/18/70/405011870.db2.gz YBNSJLGGQGIPBE-CYBMUJFWSA-N 0 3 317.780 2.485 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424189817 405033428 /nfs/dbraw/zinc/03/34/28/405033428.db2.gz LLGNBNBXEGJRNM-CQSZACIVSA-N 0 3 316.361 2.107 20 30 DEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(F)cccc1C#N ZINC000353997341 404990494 /nfs/dbraw/zinc/99/04/94/404990494.db2.gz KOLUJSDIWRHROK-CABCVRRESA-N 0 3 315.392 2.325 20 30 DEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451424972 404991090 /nfs/dbraw/zinc/99/10/90/404991090.db2.gz SZMAREGOOSFMNH-GVDBMIGSSA-N 0 3 313.401 2.122 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCCOc1ccc2ccccc2c1 ZINC000424067741 404992686 /nfs/dbraw/zinc/99/26/86/404992686.db2.gz XGPDNFYLUIBSFE-KRWDZBQOSA-N 0 3 311.385 2.356 20 30 DEEDHN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424073658 404995431 /nfs/dbraw/zinc/99/54/31/404995431.db2.gz FTXBEIPWHOWZMV-OAHLLOKOSA-N 0 3 316.405 2.128 20 30 DEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000424077304 404996305 /nfs/dbraw/zinc/99/63/05/404996305.db2.gz BGCJHMSSAFQRDV-WMLDXEAASA-N 0 3 317.433 2.496 20 30 DEEDHN CN(Cc1ccccc1Br)C(=O)[C@@H](N)CCCC#N ZINC000424074741 404996489 /nfs/dbraw/zinc/99/64/89/404996489.db2.gz HURHAYCQUWPJKE-ZDUSSCGKSA-N 0 3 324.222 2.429 20 30 DEEDHN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424075598 404997046 /nfs/dbraw/zinc/99/70/46/404997046.db2.gz JVEFNYOWQASHDM-HNNXBMFYSA-N 0 3 316.405 2.128 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CCc2cc(Br)ccc21 ZINC000424083541 404999744 /nfs/dbraw/zinc/99/97/44/404999744.db2.gz MWZKMPVRBIWJNX-LBPRGKRZSA-N 0 3 322.206 2.359 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1Cl ZINC000424084682 404999899 /nfs/dbraw/zinc/99/98/99/404999899.db2.gz FFKVKDMWVORJQL-AAEUAGOBSA-N 0 3 309.797 2.245 20 30 DEEDHN CCCC(=O)Nc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424089604 405001163 /nfs/dbraw/zinc/00/11/63/405001163.db2.gz LHNSGUXAPPZSTD-AWEZNQCLSA-N 0 3 302.378 2.385 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCN(C)[C@H](c3ccccc3)C2)nn1 ZINC000424295964 405061743 /nfs/dbraw/zinc/06/17/43/405061743.db2.gz NWJFSZXEADLHJC-WMZOPIPTSA-N 0 3 311.433 2.389 20 30 DEEDHN C=CCn1cc(CN[C@@H](C)CCc2n[nH]c3ccccc23)nn1 ZINC000424300045 405063340 /nfs/dbraw/zinc/06/33/40/405063340.db2.gz WVSWCFCOYUTYGX-ZDUSSCGKSA-N 0 3 310.405 2.451 20 30 DEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000416397186 405129564 /nfs/dbraw/zinc/12/95/64/405129564.db2.gz IATOKNHODWJYQI-QWRGUYRKSA-N 0 3 313.279 2.003 20 30 DEEDHN C=CCN1CC[C@@H](NC2(Cc3ccccc3)CCOCC2)C1=O ZINC000451942822 405103874 /nfs/dbraw/zinc/10/38/74/405103874.db2.gz GNCZTSDZKDNTED-QGZVFWFLSA-N 0 3 314.429 2.155 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000424528520 405111006 /nfs/dbraw/zinc/11/10/06/405111006.db2.gz GULATXZFEWNKTH-SJORKVTESA-N 0 3 306.450 2.302 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)CNc1ccc(C#N)cc1 ZINC000354403424 405197222 /nfs/dbraw/zinc/19/72/22/405197222.db2.gz PGKVQDJANATZJJ-QGZVFWFLSA-N 0 3 314.433 2.351 20 30 DEEDHN CN(C)CCOC1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425232370 405261275 /nfs/dbraw/zinc/26/12/75/405261275.db2.gz UIUQOQSLPWMQAE-UHFFFAOYSA-N 0 3 318.377 2.013 20 30 DEEDHN COc1cc(C#N)ccc1CN(CCO)[C@@H]1CCCSC1 ZINC000438992217 405261969 /nfs/dbraw/zinc/26/19/69/405261969.db2.gz GEZUIJFGRIPNCC-OAHLLOKOSA-N 0 3 306.431 2.257 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452731916 405235425 /nfs/dbraw/zinc/23/54/25/405235425.db2.gz PEWRPPRPGNOZES-GOSISDBHSA-N 0 3 316.445 2.484 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419334676 405240307 /nfs/dbraw/zinc/24/03/07/405240307.db2.gz GWKCOMCDVPQUOQ-GFCCVEGCSA-N 0 3 301.390 2.226 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000438442053 405246612 /nfs/dbraw/zinc/24/66/12/405246612.db2.gz IFDCPEMIHGITGM-HOTGVXAUSA-N 0 3 309.454 2.093 20 30 DEEDHN COC[C@@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000445803652 405357352 /nfs/dbraw/zinc/35/73/52/405357352.db2.gz UEXBFUHDZMPOGD-HNNXBMFYSA-N 0 3 317.433 2.121 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](OC)C2CC2)CC1 ZINC000454471885 405350555 /nfs/dbraw/zinc/35/05/55/405350555.db2.gz ZZZAGPIJQQKTNT-CZUORRHYSA-N 0 3 309.454 2.140 20 30 DEEDHN C=CCC[C@@H](CO)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000454474191 405350871 /nfs/dbraw/zinc/35/08/71/405350871.db2.gz BNWGOOJYQKROMX-HNNXBMFYSA-N 0 3 321.421 2.076 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cnc(C)cc2C)CC1 ZINC000454531397 405359250 /nfs/dbraw/zinc/35/92/50/405359250.db2.gz BKOWYCNIQIBIFK-UHFFFAOYSA-N 0 3 302.422 2.148 20 30 DEEDHN C=C[C@H]1CCCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000426372974 405355229 /nfs/dbraw/zinc/35/52/29/405355229.db2.gz SAXOUXJCUGCIKS-CVEARBPZSA-N 0 3 309.454 2.237 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000445769464 405356712 /nfs/dbraw/zinc/35/67/12/405356712.db2.gz ZPAGFZQQJAPLAV-STQMWFEESA-N 0 3 323.343 2.293 20 30 DEEDHN CN(CC#Cc1ccc(Cl)cc1)C1CCN(CCO)CC1 ZINC000427005974 405385587 /nfs/dbraw/zinc/38/55/87/405385587.db2.gz WMWKFGWUNFLNHT-UHFFFAOYSA-N 0 3 306.837 2.080 20 30 DEEDHN Cn1nccc1N1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000447078894 405401721 /nfs/dbraw/zinc/40/17/21/405401721.db2.gz VYYULQUJXPONDG-HNNXBMFYSA-N 0 3 313.380 2.189 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000427468811 405407525 /nfs/dbraw/zinc/40/75/25/405407525.db2.gz HBKRHHIWZPFRPF-QKPAOTATSA-N 0 3 324.490 2.006 20 30 DEEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCCN1C ZINC000421016233 405430059 /nfs/dbraw/zinc/43/00/59/405430059.db2.gz YDDPDLGBBYJTFX-CQSZACIVSA-N 0 3 320.824 2.176 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000429705580 405443772 /nfs/dbraw/zinc/44/37/72/405443772.db2.gz CZZVNXCLKGBUTR-QGZVFWFLSA-N 0 3 319.424 2.371 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C)c1nnnn1-c1ccccc1 ZINC000429719506 405445797 /nfs/dbraw/zinc/44/57/97/405445797.db2.gz CSTXOXYLEPUCBT-OAHLLOKOSA-N 0 3 314.437 2.163 20 30 DEEDHN CN1CC[C@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448765055 405446164 /nfs/dbraw/zinc/44/61/64/405446164.db2.gz WKCOFFHSPDXSCM-SNVBAGLBSA-N 0 3 322.206 2.002 20 30 DEEDHN C=CCC[C@H](CO)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000456783053 405565616 /nfs/dbraw/zinc/56/56/16/405565616.db2.gz VLQFDEWGECUKLT-GOSISDBHSA-N 0 3 316.445 2.342 20 30 DEEDHN N#CCCC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000580441171 405618808 /nfs/dbraw/zinc/61/88/08/405618808.db2.gz HYYMVDHLUKXGHP-UHFFFAOYSA-N 0 3 311.385 2.298 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCOC)c(OC)c1 ZINC000449518227 405592570 /nfs/dbraw/zinc/59/25/70/405592570.db2.gz ISPOJLSBTXUMRK-CABCVRRESA-N 0 3 307.390 2.154 20 30 DEEDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1(C)C ZINC000528515789 405646550 /nfs/dbraw/zinc/64/65/50/405646550.db2.gz CSNIHKITOGLVPU-NVXWUHKLSA-N 0 3 318.417 2.045 20 30 DEEDHN C=CCOc1cccc(CN2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c1 ZINC000449648484 405658690 /nfs/dbraw/zinc/65/86/90/405658690.db2.gz QVSQEIBVTLVNQB-CVEARBPZSA-N 0 3 300.402 2.447 20 30 DEEDHN C=CCOc1ccc(CN2CC[C@](CO)(COC)C2)cc1OC ZINC000449703221 405701902 /nfs/dbraw/zinc/70/19/02/405701902.db2.gz TUQXBCYKIUFGRW-SFHVURJKSA-N 0 3 321.417 2.091 20 30 DEEDHN C[C@H](NC(=O)NCCc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000582266621 405695159 /nfs/dbraw/zinc/69/51/59/405695159.db2.gz BVJOMQADJZWFPG-AWEZNQCLSA-N 0 3 312.417 2.050 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4[nH]cnc4c3)C2)nc1 ZINC000559308819 405730770 /nfs/dbraw/zinc/73/07/70/405730770.db2.gz IDGUHZIQPQUGEK-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4nc[nH]c4c3)C2)nc1 ZINC000559308819 405730775 /nfs/dbraw/zinc/73/07/75/405730775.db2.gz IDGUHZIQPQUGEK-OAHLLOKOSA-N 0 3 319.368 2.483 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000560424218 405814942 /nfs/dbraw/zinc/81/49/42/405814942.db2.gz AOBCGQMODRRCCI-KRWDZBQOSA-N 0 3 314.389 2.126 20 30 DEEDHN C[C@H]1CNC(NN=C2CCCCC[C@H]2NC(=O)OC(C)(C)C)=N1 ZINC000495236755 405850263 /nfs/dbraw/zinc/85/02/63/405850263.db2.gz IMLVABYOTKBKST-NWDGAFQWSA-N 0 3 323.441 2.137 20 30 DEEDHN CNC(=O)OC[C@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000495641187 405927554 /nfs/dbraw/zinc/92/75/54/405927554.db2.gz OSQWSFHFEHFAFT-OAHLLOKOSA-N 0 3 323.437 2.297 20 30 DEEDHN CN(CCCN(C)C(=O)C1(C#N)CCCC1)Cc1ccncc1 ZINC000561709087 405944828 /nfs/dbraw/zinc/94/48/28/405944828.db2.gz CZSZEZAEGMDOQH-UHFFFAOYSA-N 0 3 314.433 2.446 20 30 DEEDHN C=CCc1cc(CN(C)[C@H]2CCC(=O)N(C)C2)cc(OC)c1O ZINC000628368787 405946422 /nfs/dbraw/zinc/94/64/22/405946422.db2.gz YYFYNRQFXZIYPW-HNNXBMFYSA-N 0 3 318.417 2.182 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1 ZINC000450560010 405956157 /nfs/dbraw/zinc/95/61/57/405956157.db2.gz YERORWXDSADQBC-PBHICJAKSA-N 0 3 302.418 2.393 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000561348211 405920859 /nfs/dbraw/zinc/92/08/59/405920859.db2.gz NACKFXIYSBQIKU-XJKCOSOUSA-N 0 3 312.417 2.064 20 30 DEEDHN C=C(Br)CN[C@@H](C)[C@H]1CCCN(C(=O)OC)C1 ZINC000495560756 405923079 /nfs/dbraw/zinc/92/30/79/405923079.db2.gz RSXYCYLEMFBJLD-QWRGUYRKSA-N 0 3 305.216 2.352 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2C[C@H](CO)[C@H](O)C2)cc1 ZINC000459678691 406004785 /nfs/dbraw/zinc/00/47/85/406004785.db2.gz BJWLZOYAZTWWDT-IEBWSBKVSA-N 0 3 308.381 2.010 20 30 DEEDHN CCCCO[C@@H]1C[C@@H](NCC(=O)N(CC)CCC#N)C1(C)C ZINC000450975099 406007370 /nfs/dbraw/zinc/00/73/70/406007370.db2.gz WGYXBYNPNDLYCJ-HUUCEWRRSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@@H]1C[C@@H](NC(=O)NCC2(C#N)CC2)CN1Cc1ccccc1 ZINC000562936982 406056383 /nfs/dbraw/zinc/05/63/83/406056383.db2.gz ASEHDVLNXCIMSO-GDBMZVCRSA-N 0 3 312.417 2.252 20 30 DEEDHN C[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)C(F)(F)F ZINC000565534232 406073256 /nfs/dbraw/zinc/07/32/56/406073256.db2.gz CFXBVJGMGQQPCG-WCQYABFASA-N 0 3 316.323 2.280 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOC2CCCC2)cc1 ZINC000471794857 406118054 /nfs/dbraw/zinc/11/80/54/406118054.db2.gz WOCNBZXDQDAYBR-INIZCTEOSA-N 0 3 311.385 2.316 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634458678 406140478 /nfs/dbraw/zinc/14/04/78/406140478.db2.gz ZYPOWLFHHAXEKJ-SJLPKXTDSA-N 0 3 302.418 2.013 20 30 DEEDHN CC(C)(O)CN(CC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000533482353 406147017 /nfs/dbraw/zinc/14/70/17/406147017.db2.gz WHOJTAVYTJORFV-UHFFFAOYSA-N 0 3 305.393 2.429 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](c3ccnn3C)C2)nn1 ZINC000567890528 406154652 /nfs/dbraw/zinc/15/46/52/406154652.db2.gz CIHNQMZGHXRMFK-KGLIPLIRSA-N 0 3 300.410 2.014 20 30 DEEDHN C=CCOc1ccccc1CNCCN1CCO[C@@H](CC)C1 ZINC000487211161 406216719 /nfs/dbraw/zinc/21/67/19/406216719.db2.gz PERXMGZQECHFGG-KRWDZBQOSA-N 0 3 304.434 2.452 20 30 DEEDHN Cc1cc(CN2CCC(c3ccnn3CCO)CC2)ccc1C#N ZINC000487927352 406273021 /nfs/dbraw/zinc/27/30/21/406273021.db2.gz FWWWEUZAVNVUJB-UHFFFAOYSA-N 0 3 324.428 2.435 20 30 DEEDHN C=CCCCS(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000489667137 406424482 /nfs/dbraw/zinc/42/44/82/406424482.db2.gz QHDBMHLBNNMLDJ-HOCLYGCPSA-N 0 3 312.479 2.231 20 30 DEEDHN COc1ccc(CN2CC[C@H](N[C@@H]3CC[C@@H](C#N)C3)C2=O)cc1 ZINC000570355399 406381244 /nfs/dbraw/zinc/38/12/44/406381244.db2.gz SIJFRMWCYSEJSS-INMHGKMJSA-N 0 3 313.401 2.078 20 30 DEEDHN C[C@@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000570934697 406458824 /nfs/dbraw/zinc/45/88/24/406458824.db2.gz OUKGUARSMSHKLL-DGCLKSJQSA-N 0 3 301.365 2.359 20 30 DEEDHN C#CCN(C)CCCNC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000491294510 406562380 /nfs/dbraw/zinc/56/23/80/406562380.db2.gz BXLAFAYGXWCSMQ-AWEZNQCLSA-N 0 3 303.406 2.470 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@](C)(C#N)C2CCCCC2)CC1 ZINC000491072973 406524917 /nfs/dbraw/zinc/52/49/17/406524917.db2.gz WQFQTRYZPNEOPP-SFHVURJKSA-N 0 3 301.434 2.310 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000550262732 406601409 /nfs/dbraw/zinc/60/14/09/406601409.db2.gz PPQNSFQJPZDFOR-UHFFFAOYSA-N 0 3 308.385 2.470 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CSc2ccccc21 ZINC000491620151 406634076 /nfs/dbraw/zinc/63/40/76/406634076.db2.gz BSUPQULSLKNROQ-CQSZACIVSA-N 0 3 317.458 2.130 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000491371095 406579443 /nfs/dbraw/zinc/57/94/43/406579443.db2.gz CLKBGMQEFSBFRX-RDJZCZTQSA-N 0 3 314.433 2.129 20 30 DEEDHN C#CCNC(=O)C1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000491383356 406582428 /nfs/dbraw/zinc/58/24/28/406582428.db2.gz LMZAZXXDCPSEPW-ARJAWSKDSA-N 0 3 300.377 2.300 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC(OC2CCCC2)CC1 ZINC000491404263 406586149 /nfs/dbraw/zinc/58/61/49/406586149.db2.gz AXBLJGOTVPXMJM-UHFFFAOYSA-N 0 3 321.465 2.075 20 30 DEEDHN C#CCNC(=O)CCNC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000491413979 406587507 /nfs/dbraw/zinc/58/75/07/406587507.db2.gz ASALMNYQYRLEBK-LJQANCHMSA-N 0 3 322.408 2.116 20 30 DEEDHN C#C[C@@H](N[C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000491709883 406682122 /nfs/dbraw/zinc/68/21/22/406682122.db2.gz PZXANZWWZPXULG-BLLLJJGKSA-N 0 3 309.406 2.303 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1coc2ccc(OC)cc12 ZINC000491742826 406697342 /nfs/dbraw/zinc/69/73/42/406697342.db2.gz HAFXXYUMZJSEMJ-UHFFFAOYSA-N 0 3 300.358 2.126 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000491626871 406638816 /nfs/dbraw/zinc/63/88/16/406638816.db2.gz JEVHQVFOKCBLSB-STQMWFEESA-N 0 3 319.371 2.314 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1scnc1C1CCCC1 ZINC000491635805 406643346 /nfs/dbraw/zinc/64/33/46/406643346.db2.gz UCCBCKFXTULIFC-UHFFFAOYSA-N 0 3 305.447 2.486 20 30 DEEDHN C#C[C@@H](NC(=O)NC1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000491640052 406645710 /nfs/dbraw/zinc/64/57/10/406645710.db2.gz XIRGFJJOTQDYKA-OAHLLOKOSA-N 0 3 305.809 2.408 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)NCC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000573472787 406773233 /nfs/dbraw/zinc/77/32/33/406773233.db2.gz CYZHYXAXMIEKOD-HOCLYGCPSA-N 0 3 312.417 2.252 20 30 DEEDHN C#CCNC(=O)C1CCN(C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000491815784 406734094 /nfs/dbraw/zinc/73/40/94/406734094.db2.gz LSTQSMMRVDSQFV-CYBMUJFWSA-N 0 3 303.233 2.032 20 30 DEEDHN N#Cc1csc(CN[C@@]2(CO)COc3ccccc3C2)c1 ZINC000527769489 406744128 /nfs/dbraw/zinc/74/41/28/406744128.db2.gz PRPNQKKVNMLTGN-INIZCTEOSA-N 0 3 300.383 2.076 20 30 DEEDHN C#C[C@@H](NC(=O)N[C@@H](C)CN(C)C)c1ccc(Cl)cc1F ZINC000491761321 406706107 /nfs/dbraw/zinc/70/61/07/406706107.db2.gz VKEWFOPJGVTDOE-IINYFYTJSA-N 0 3 311.788 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000491795394 406723875 /nfs/dbraw/zinc/72/38/75/406723875.db2.gz VRACFVZNAADWJD-MRXNPFEDSA-N 0 3 315.417 2.471 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 ZINC000645982524 406730157 /nfs/dbraw/zinc/73/01/57/406730157.db2.gz YZILERPLZOCPBY-IYBDPMFKSA-N 0 3 307.482 2.264 20 30 DEEDHN COc1cccc(C[C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000574564421 406784106 /nfs/dbraw/zinc/78/41/06/406784106.db2.gz HLKNNDHOBDTQOH-DOTOQJQBSA-N 0 3 315.417 2.250 20 30 DEEDHN CCc1cc(N2CCC(NC[C@@H](C#N)CCC#N)CC2)ncn1 ZINC000575230950 406790245 /nfs/dbraw/zinc/79/02/45/406790245.db2.gz RCQAOBUVNIFYTH-CQSZACIVSA-N 0 3 312.421 2.041 20 30 DEEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577377483 406836415 /nfs/dbraw/zinc/83/64/15/406836415.db2.gz KRGQJAYWBFTGMU-UHFFFAOYSA-N 0 3 302.378 2.406 20 30 DEEDHN C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(Cc2ccccc2)C1 ZINC000577501775 406838761 /nfs/dbraw/zinc/83/87/61/406838761.db2.gz LMQUIWKWUZGARS-SFHVURJKSA-N 0 3 308.385 2.281 20 30 DEEDHN CC(C#N)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000129184869 196026530 /nfs/dbraw/zinc/02/65/30/196026530.db2.gz JLBOBXWZKATMSE-MRVPVSSYSA-N 0 3 309.163 2.160 20 30 DEEDHN N=C(NCC(=O)NC1CCCCC1)Nc1cc(F)ccc1F ZINC000262283044 225267913 /nfs/dbraw/zinc/26/79/13/225267913.db2.gz LMZHBUBJTGUZML-UHFFFAOYSA-N 0 3 310.348 2.140 20 30 DEEDHN CN(C)C/C=C/C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000265644326 225332558 /nfs/dbraw/zinc/33/25/58/225332558.db2.gz MVNYBAPXGZBZFN-LVDDQXARSA-N 0 3 322.206 2.248 20 30 DEEDHN CC(C(=O)NCC1CCCCC1)S(=O)(=O)[C@@H]1CCOC1 ZINC000330157196 225972757 /nfs/dbraw/zinc/97/27/57/225972757.db2.gz ZEZWFRGWGNKGQM-DGCLKSJQSA-N 0 3 303.424 2.115 20 30 DEEDHN CN(C(=O)CN1CCC[C@]1(C)CCCO)C1(C#N)CCCCC1 ZINC000330612733 226017933 /nfs/dbraw/zinc/01/79/33/226017933.db2.gz RGWFMFOJDHSEPV-QGZVFWFLSA-N 0 3 321.465 2.298 20 30 DEEDHN CSc1cccc(NC(=O)NCC2(O)CCN(C)CC2)c1C ZINC000330709097 226025593 /nfs/dbraw/zinc/02/55/93/226025593.db2.gz RTMFPKXFOMOBBD-UHFFFAOYSA-N 0 3 323.462 2.500 20 30 DEEDHN Cc1nccn1CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000339258300 226184499 /nfs/dbraw/zinc/18/44/99/226184499.db2.gz JDFQDRFINFJHLW-KRWDZBQOSA-N 0 3 310.401 2.470 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCCC#N)CCN1Cc1ccccc1 ZINC000334076809 226113860 /nfs/dbraw/zinc/11/38/60/226113860.db2.gz SNIMBHNUNPDHMZ-GOEBONIOSA-N 0 3 300.406 2.252 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N[C@](C)(C#N)C(C)(C)C)cc1 ZINC000340634766 226203903 /nfs/dbraw/zinc/20/39/03/226203903.db2.gz WNPNJHNXXRYPBW-MRXNPFEDSA-N 0 3 323.462 2.355 20 30 DEEDHN O=C1CC[C@@H](NCC#Cc2ccccc2Cl)[C@@H](C2CC2)N1 ZINC000342027896 226236957 /nfs/dbraw/zinc/23/69/57/226236957.db2.gz CYWQANYYLLHLOS-NVXWUHKLSA-N 0 3 302.805 2.338 20 30 DEEDHN CN(C(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1)C1(C#N)CCCCC1 ZINC000372147849 227085014 /nfs/dbraw/zinc/08/50/14/227085014.db2.gz BASLBTNXEJYSJN-HZPDHXFCSA-N 0 3 319.449 2.030 20 30 DEEDHN CCn1c(C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000291376668 222350969 /nfs/dbraw/zinc/35/09/69/222350969.db2.gz VPHYNQVEMPHWGX-UHFFFAOYSA-N 0 3 324.432 2.190 20 30 DEEDHN CCN1C[C@@H](C)N(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000330541790 266157742 /nfs/dbraw/zinc/15/77/42/266157742.db2.gz ABPSSRFBLGMVPG-NWDGAFQWSA-N 0 3 318.421 2.121 20 30 DEEDHN N#CCc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000154181643 424861434 /nfs/dbraw/zinc/86/14/34/424861434.db2.gz JYNWBNGMXIVOCN-QGZVFWFLSA-N 0 3 313.401 2.335 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)c(N)n2)C1 ZINC000570815746 424930091 /nfs/dbraw/zinc/93/00/91/424930091.db2.gz FWGBJSFIBYZVGV-BBRMVZONSA-N 0 3 307.401 2.783 20 30 DEEDHN Nc1ncncc1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000329184681 424903461 /nfs/dbraw/zinc/90/34/61/424903461.db2.gz GAWRVROVTVLOQU-CQSZACIVSA-N 0 3 303.410 2.312 20 30 DEEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593845235 425009428 /nfs/dbraw/zinc/00/94/28/425009428.db2.gz IFGNBBFODLRODB-NSHDSACASA-N 0 3 313.405 2.848 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)C(C)C ZINC000590571538 424997694 /nfs/dbraw/zinc/99/76/94/424997694.db2.gz QVBIMFDUCZAZMK-AWEZNQCLSA-N 0 3 319.409 2.683 20 30 DEEDHN C=C(C)[C@@H](CO)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000649407400 425012583 /nfs/dbraw/zinc/01/25/83/425012583.db2.gz KRTJZRNHPMVMIE-QWHCGFSZSA-N 0 3 316.323 2.491 20 30 DEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000649361810 425000075 /nfs/dbraw/zinc/00/00/75/425000075.db2.gz GYIGSANADUMSRT-INIZCTEOSA-N 0 3 321.396 2.349 20 30 DEEDHN CCc1nc(C#N)cc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000596217466 425021542 /nfs/dbraw/zinc/02/15/42/425021542.db2.gz RAHCHIDHWBPELK-SCLBCKFNSA-N 0 3 309.417 3.014 20 30 DEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC(C)CC1)[C@@H](C)COC ZINC000666751960 425173933 /nfs/dbraw/zinc/17/39/33/425173933.db2.gz APZIEVWMBWMDRH-CVEARBPZSA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCCn1cc(CNC2(CO)C3CC4CC(C3)CC2C4)nn1 ZINC000653761859 425222652 /nfs/dbraw/zinc/22/26/52/425222652.db2.gz KHDILNKYLDBGJD-UHFFFAOYSA-N 0 3 316.449 2.131 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654317376 425327036 /nfs/dbraw/zinc/32/70/36/425327036.db2.gz GXYKBEWWCZOEJE-GJZGRUSLSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCCn1cc(CNc2cccc(OCCN(C)C)c2)nn1 ZINC000657403507 425327235 /nfs/dbraw/zinc/32/72/35/425327235.db2.gz BCBMTPPCIOGLHC-UHFFFAOYSA-N 0 3 315.421 2.407 20 30 DEEDHN Clc1cccc(C#CCN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000661144738 425334380 /nfs/dbraw/zinc/33/43/80/425334380.db2.gz FBRIODKKVFHGII-HNNXBMFYSA-N 0 3 300.793 2.305 20 30 DEEDHN CC[C@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516563244 267227581 /nfs/dbraw/zinc/22/75/81/267227581.db2.gz AFHCFLQFCCHJTL-GJZGRUSLSA-N 0 3 321.446 2.143 20 30 DEEDHN C=CCC[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1 ZINC000664495629 425397392 /nfs/dbraw/zinc/39/73/92/425397392.db2.gz BMPBSOOHJLMGCX-IKGGRYGDSA-N 0 3 317.433 2.010 20 30 DEEDHN COCC1(C)CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528431166 267435592 /nfs/dbraw/zinc/43/55/92/267435592.db2.gz LPHAGEQJAJWPRS-INIZCTEOSA-N 0 3 318.417 2.046 20 30 DEEDHN C=CCN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H](C)COC ZINC000664783853 425453254 /nfs/dbraw/zinc/45/32/54/425453254.db2.gz JFTQZBYZMWOPTQ-CABCVRRESA-N 0 3 311.470 2.339 20 30 DEEDHN C=CCC[C@@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655295227 425529189 /nfs/dbraw/zinc/52/91/89/425529189.db2.gz CBGQTJZEARJFMT-RCCFBDPRSA-N 0 3 314.429 2.014 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000655609601 425611704 /nfs/dbraw/zinc/61/17/04/425611704.db2.gz QQQXMVKMJYPPRD-SECBINFHSA-N 0 3 306.391 2.012 20 30 DEEDHN CC(=O)c1ccc(C#N)c(NCCCN2CCC(O)CC2)c1 ZINC000663403381 425835947 /nfs/dbraw/zinc/83/59/47/425835947.db2.gz VMPXEOYMDHOERG-UHFFFAOYSA-N 0 3 301.390 2.020 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCc2c1cccc2O ZINC000528515070 268304667 /nfs/dbraw/zinc/30/46/67/268304667.db2.gz DEORJCGPVXPDTJ-PBHICJAKSA-N 0 3 324.380 2.281 20 30 DEEDHN N#Cc1cnn2cc(CNC[C@@H]3CCOc4ccccc43)cnc12 ZINC000515649918 269352908 /nfs/dbraw/zinc/35/29/08/269352908.db2.gz QFSOUUUIVVDKCJ-AWEZNQCLSA-N 0 3 319.368 2.257 20 30 DEEDHN C#CCNC(=O)CCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000293215324 275383193 /nfs/dbraw/zinc/38/31/93/275383193.db2.gz VFBRTPZGXPDFLS-WMLDXEAASA-N 0 3 302.443 2.305 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000369628365 275384924 /nfs/dbraw/zinc/38/49/24/275384924.db2.gz DYVXGAQEXBDCCQ-QGZVFWFLSA-N 0 3 312.413 2.399 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000366706052 276875842 /nfs/dbraw/zinc/87/58/42/276875842.db2.gz XOQCWFUASRUXLD-JKSUJKDBSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CC[C@H](CO)CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000357288699 276909924 /nfs/dbraw/zinc/90/99/24/276909924.db2.gz SZHHHEJYARNNNL-HLLBOEOZSA-N 0 3 319.449 2.162 20 30 DEEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000339158365 277178389 /nfs/dbraw/zinc/17/83/89/277178389.db2.gz RBECUJWJQXWNAC-ZQIUZPCESA-N 0 3 307.438 2.074 20 30 DEEDHN CN1CC[C@H]2CCN(c3ncc(Br)cc3C#N)[C@@H]2C1 ZINC000294899796 277179057 /nfs/dbraw/zinc/17/90/57/277179057.db2.gz GYLQMJVQOQOQFW-GXFFZTMASA-N 0 3 321.222 2.246 20 30 DEEDHN COCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CC[C@H](C)C1 ZINC000362156121 277215069 /nfs/dbraw/zinc/21/50/69/277215069.db2.gz MEXGYLPQGFHMSI-YQQAZPJKSA-N 0 3 309.454 2.178 20 30 DEEDHN CO[C@@](C)([C@@H](C)NCC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000411938855 277699009 /nfs/dbraw/zinc/69/90/09/277699009.db2.gz FAXSGMWOSGBOOZ-PBHICJAKSA-N 0 3 321.465 2.464 20 30 DEEDHN C=CC[C@@H]1N(C(=O)C(=O)NCCN(CC)CC)CCCC1(C)C ZINC000339582228 277882044 /nfs/dbraw/zinc/88/20/44/277882044.db2.gz NNHLXLDLCNNHLT-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329701789 278069318 /nfs/dbraw/zinc/06/93/18/278069318.db2.gz HNPDCYYNYASBNI-LYOVBCGYSA-N 0 3 312.373 2.293 20 30 DEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329701789 278069322 /nfs/dbraw/zinc/06/93/22/278069322.db2.gz HNPDCYYNYASBNI-LYOVBCGYSA-N 0 3 312.373 2.293 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000287947460 279181086 /nfs/dbraw/zinc/18/10/86/279181086.db2.gz HCJGMNCBJGTTHL-HLLBOEOZSA-N 0 3 314.433 2.450 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCC[C@@H](C)C1 ZINC000355763313 279329065 /nfs/dbraw/zinc/32/90/65/279329065.db2.gz FNBLJIXDFWRUSY-HUUCEWRRSA-N 0 3 306.454 2.442 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)c1ccc(F)c(Br)c1 ZINC001348973284 1151214896 /nfs/dbraw/zinc/21/48/96/1151214896.db2.gz PNOHRDAJPKNNPZ-ZWNOBZJWSA-N 0 3 318.186 2.412 20 30 DEEDHN O=C(NC1CCN(C2CC2)CC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329495940 295377115 /nfs/dbraw/zinc/37/71/15/295377115.db2.gz XEPYSYJMCDNDBQ-MRXNPFEDSA-N 0 3 317.437 2.478 20 30 DEEDHN C[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN(C2CC2)C1 ZINC000452167404 300180565 /nfs/dbraw/zinc/18/05/65/300180565.db2.gz VWECCIRLZFLEOF-RDTXWAMCSA-N 0 3 301.434 2.403 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(F)c2OCC)[C@H]1C ZINC001088944251 782066581 /nfs/dbraw/zinc/06/65/81/782066581.db2.gz ZMASDTJAFXUBQI-CJNGLKHVSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)n2cnc3ccccc32)[C@H]1C ZINC001088956613 782079934 /nfs/dbraw/zinc/07/99/34/782079934.db2.gz ZLIFZVCCJXGKPJ-PMPSAXMXSA-N 0 3 324.428 2.200 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)CCc2c(C)noc2C)C[C@@H]1C ZINC001328283820 1148764995 /nfs/dbraw/zinc/76/49/95/1148764995.db2.gz MNJUVPBWSBULOV-XJKSGUPXSA-N 0 3 317.433 2.216 20 30 DEEDHN C[C@@H](NN=Cc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000834997228 649865170 /nfs/dbraw/zinc/86/51/70/649865170.db2.gz ADOZXQHUJUOBEJ-GFCCVEGCSA-N 0 3 314.355 2.313 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn([C@@H](C)CC)c2C)[C@H]1C ZINC001088969069 782087123 /nfs/dbraw/zinc/08/71/23/782087123.db2.gz FWDKFRSKWFBMKW-LXZKKBNFSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn([C@H](C)CC)c2C)[C@H]1C ZINC001088969070 782088624 /nfs/dbraw/zinc/08/86/24/782088624.db2.gz FWDKFRSKWFBMKW-UNEWFSDZSA-N 0 3 316.449 2.378 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000573985205 326112543 /nfs/dbraw/zinc/11/25/43/326112543.db2.gz NROUVCWJNFARHB-GXTWGEPZSA-N 0 3 300.406 2.112 20 30 DEEDHN CN1CCC[C@@H](CNc2ccnc(C#N)n2)[C@@H]1c1cccs1 ZINC000574464193 326157777 /nfs/dbraw/zinc/15/77/77/326157777.db2.gz AQIREIPDMNZERC-BLLLJJGKSA-N 0 3 313.430 2.327 20 30 DEEDHN Cn1ccnc1[C@@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000575769168 326244948 /nfs/dbraw/zinc/24/49/48/326244948.db2.gz KLLZYUFASYUZLI-OAHLLOKOSA-N 0 3 323.400 2.110 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1(C#N)CC1 ZINC000559334051 332028419 /nfs/dbraw/zinc/02/84/19/332028419.db2.gz GCPSBYBUMIDJFC-GDBMZVCRSA-N 0 3 312.417 2.110 20 30 DEEDHN N#CC1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000142053453 332149336 /nfs/dbraw/zinc/14/93/36/332149336.db2.gz ZHGCACFBMHARLY-UHFFFAOYSA-N 0 3 311.385 2.298 20 30 DEEDHN Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cnc21 ZINC000531102000 332262141 /nfs/dbraw/zinc/26/21/41/332262141.db2.gz PQWPBFQZZQPSLR-GFCCVEGCSA-N 0 3 316.324 2.335 20 30 DEEDHN C=CCCCCN(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000560186397 332317612 /nfs/dbraw/zinc/31/76/12/332317612.db2.gz KBIKATWPCASYRM-HNNXBMFYSA-N 0 3 310.438 2.076 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cncnc2C2CC2)CC1 ZINC000560431033 332338954 /nfs/dbraw/zinc/33/89/54/332338954.db2.gz QBNGJZSBVDPZDX-UHFFFAOYSA-N 0 3 300.406 2.124 20 30 DEEDHN C[C@@]1(O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000180185507 333159301 /nfs/dbraw/zinc/15/93/01/333159301.db2.gz ICMJOXYHGCMHKK-GOSISDBHSA-N 0 3 310.401 2.420 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(F)(C#N)CC1)N1CCC[C@H](C)C1 ZINC000344833463 335278888 /nfs/dbraw/zinc/27/88/88/335278888.db2.gz XERBAEXLGKHFJU-UONOGXRCSA-N 0 3 310.417 2.144 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000332565798 336174824 /nfs/dbraw/zinc/17/48/24/336174824.db2.gz SOEIHPHYKMWFEI-NXOAAHMSSA-N 0 3 323.481 2.387 20 30 DEEDHN C=C(C)CN1CCC(Nc2ncc(C(N)=O)cc2Cl)CC1 ZINC000301160754 336292623 /nfs/dbraw/zinc/29/26/23/336292623.db2.gz FTJBUYLUJDIPTH-UHFFFAOYSA-N 0 3 308.813 2.286 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(OC)cccc2OC)[C@H]1C ZINC001089001787 782107877 /nfs/dbraw/zinc/10/78/77/782107877.db2.gz BEQABGVYNILZSK-KGLIPLIRSA-N 0 3 318.417 2.473 20 30 DEEDHN CN1CCC[C@@]2(CCN(c3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000582237502 336389917 /nfs/dbraw/zinc/38/99/17/336389917.db2.gz QAQNZOJHRIYRFI-MRXNPFEDSA-N 0 3 300.362 2.389 20 30 DEEDHN CC[C@H](CC#N)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000354793753 336482493 /nfs/dbraw/zinc/48/24/93/336482493.db2.gz SSVFLMRZPZTUNA-CYBMUJFWSA-N 0 3 318.425 2.272 20 30 DEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(C#N)n1 ZINC000583692052 336965605 /nfs/dbraw/zinc/96/56/05/336965605.db2.gz BZHORRHRFAMVFS-GFCCVEGCSA-N 0 3 301.394 2.147 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(F)cc2F)CC1 ZINC000582624399 337115929 /nfs/dbraw/zinc/11/59/29/337115929.db2.gz KMJKWJQFUKASQR-UHFFFAOYSA-N 0 3 323.387 2.457 20 30 DEEDHN CC(C)NC(=O)NCCN(Cc1ccc(C#N)cc1)C(C)C ZINC000582903137 337213336 /nfs/dbraw/zinc/21/33/36/337213336.db2.gz RHIOQJFTIZNCSD-UHFFFAOYSA-N 0 3 302.422 2.476 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185571523 337249212 /nfs/dbraw/zinc/24/92/12/337249212.db2.gz VCMXUTOBTVOXJA-YEWWUXTCSA-N 0 3 315.417 2.195 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(C)(C)O)C(C)C ZINC000268138377 337634924 /nfs/dbraw/zinc/63/49/24/337634924.db2.gz QDLYGPMZGQEJTA-HNNXBMFYSA-N 0 3 311.470 2.097 20 30 DEEDHN C#Cc1ccc(CNC[C@](C)(O)CNC(=O)OC(C)(C)C)cc1 ZINC000496664005 340010084 /nfs/dbraw/zinc/01/00/84/340010084.db2.gz SOJDCHQWXGJERB-SFHVURJKSA-N 0 3 318.417 2.033 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496863937 340014894 /nfs/dbraw/zinc/01/48/94/340014894.db2.gz JOBIHNVUJSHKRX-WBMJQRKESA-N 0 3 307.394 2.148 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CCCC1 ZINC000504111339 340141061 /nfs/dbraw/zinc/14/10/61/340141061.db2.gz UMGACOBTOVFRLK-SJORKVTESA-N 0 3 323.481 2.485 20 30 DEEDHN CN(C)[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000517233841 340466318 /nfs/dbraw/zinc/46/63/18/340466318.db2.gz FIYCDGBVSFLEAE-CABCVRRESA-N 0 3 322.840 2.080 20 30 DEEDHN CCOC(=O)N1CCC([C@@H](C)NC[C@@H](C#N)CCC#N)CC1 ZINC000187555104 340521025 /nfs/dbraw/zinc/52/10/25/340521025.db2.gz DPZIAMABAJWIPI-ZIAGYGMSSA-N 0 3 306.410 2.277 20 30 DEEDHN COc1ccccc1COC[C@H](O)CN1CCC(CC#N)CC1 ZINC000541020052 340956338 /nfs/dbraw/zinc/95/63/38/340956338.db2.gz IANBLGOVIGGYPI-QGZVFWFLSA-N 0 3 318.417 2.198 20 30 DEEDHN C=CCCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000547781473 341232313 /nfs/dbraw/zinc/23/23/13/341232313.db2.gz FNPFEFHFFHFZGS-GOSISDBHSA-N 0 3 302.418 2.096 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCC#Cc1cccc(F)c1 ZINC000549203480 341288680 /nfs/dbraw/zinc/28/86/80/341288680.db2.gz RLCMHRZITVWWPL-UHFFFAOYSA-N 0 3 319.424 2.406 20 30 DEEDHN C[C@@H](C#N)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552014582 341360740 /nfs/dbraw/zinc/36/07/40/341360740.db2.gz POTHDGAKSOEGPH-DZGCQCFKSA-N 0 3 321.371 2.420 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000577513575 341914751 /nfs/dbraw/zinc/91/47/51/341914751.db2.gz STAVDNCRVTYDHG-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN Cc1ccoc1C(=O)NCCCNCc1cc(C#N)cs1 ZINC000177704486 341924426 /nfs/dbraw/zinc/92/44/26/341924426.db2.gz FDAWAAMZWFMAEU-UHFFFAOYSA-N 0 3 303.387 2.431 20 30 DEEDHN C=CCCC(=O)NCCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001356973545 1152196287 /nfs/dbraw/zinc/19/62/87/1152196287.db2.gz GKAHIZXZZKYVNO-UHFFFAOYSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CC(C)(C)C(=O)NC1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001357037093 1152221243 /nfs/dbraw/zinc/22/12/43/1152221243.db2.gz VOLLMJLYGNOVRF-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCC[C@@H]1CCCN1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001357301762 1152283652 /nfs/dbraw/zinc/28/36/52/1152283652.db2.gz FHHHJUDKMIYGPR-DLBZAZTESA-N 0 3 322.497 2.010 20 30 DEEDHN COC(=O)c1cc(N=NC2CN(C3CC3)C[C@H]2C)ccc1F ZINC000835012323 649866588 /nfs/dbraw/zinc/86/65/88/649866588.db2.gz RVOCLZXNTWKDRN-SNVBAGLBSA-N 0 3 305.353 2.494 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2cnn(C)c2C)CCCC1 ZINC001378351202 1152302415 /nfs/dbraw/zinc/30/24/15/1152302415.db2.gz AYFCBWBRWLKMBC-UHFFFAOYSA-N 0 3 324.856 2.042 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2C[C@@]23CCOC3)CCCC1 ZINC001378363504 1152305678 /nfs/dbraw/zinc/30/56/78/1152305678.db2.gz CFDRUCHPEIMSJQ-UKRRQHHQSA-N 0 3 312.841 2.184 20 30 DEEDHN CCCC[C@H](CN[C@@H](C)c1n[nH]c(C)n1)NC(=O)C#CC(C)C ZINC001329876958 1149008551 /nfs/dbraw/zinc/00/85/51/1149008551.db2.gz TZOUBSCZKZYNLM-DZGCQCFKSA-N 0 3 319.453 2.098 20 30 DEEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1ccc[nH]1 ZINC001378538175 1152367570 /nfs/dbraw/zinc/36/75/70/1152367570.db2.gz XURWLEKMVNBDMZ-GFCCVEGCSA-N 0 3 314.364 2.181 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)CCc1nc(C)cs1 ZINC001329922827 1149016544 /nfs/dbraw/zinc/01/65/44/1149016544.db2.gz GMHAOTCPRBSGQH-HNNXBMFYSA-N 0 3 319.474 2.378 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)c2[nH]ccc2C)[C@H](OC)C1 ZINC001212194916 782141644 /nfs/dbraw/zinc/14/16/44/782141644.db2.gz ZVDXIMIOZKYHHI-HZPDHXFCSA-N 0 3 319.449 2.499 20 30 DEEDHN C=CCCCNCc1cn([C@@H]2CCN(C(=O)C(C)(C)C)C2)nn1 ZINC001098774679 782150456 /nfs/dbraw/zinc/15/04/56/782150456.db2.gz SBSSPUDHKDLDJF-OAHLLOKOSA-N 0 3 319.453 2.153 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001330054769 1149041808 /nfs/dbraw/zinc/04/18/08/1149041808.db2.gz QTPWXGUOCUKNGM-LLVKDONJSA-N 0 3 324.346 2.106 20 30 DEEDHN COc1ccc(F)cc1CNC1CC(N(C)C(=O)[C@@H](C)C#N)C1 ZINC001369571709 1149045240 /nfs/dbraw/zinc/04/52/40/1149045240.db2.gz DRZQGSKOTUKZTR-QGLTVNCISA-N 0 3 319.380 2.073 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CC(C)(F)F)C(C)(C)C1 ZINC001330230547 1149075262 /nfs/dbraw/zinc/07/52/62/1149075262.db2.gz PVGSGIHCELKZCP-LBPRGKRZSA-N 0 3 304.381 2.061 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1[nH]cnc1C(F)(F)F ZINC001378773961 1152442033 /nfs/dbraw/zinc/44/20/33/1152442033.db2.gz HSZMKJJBSXAMTF-QMMMGPOBSA-N 0 3 324.734 2.231 20 30 DEEDHN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1nc[nH]c1C(F)(F)F ZINC001378773961 1152442035 /nfs/dbraw/zinc/44/20/35/1152442035.db2.gz HSZMKJJBSXAMTF-QMMMGPOBSA-N 0 3 324.734 2.231 20 30 DEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248878554 534168001 /nfs/dbraw/zinc/16/80/01/534168001.db2.gz KCYKRAYCWFBHOZ-IIAWOOMASA-N 0 3 310.401 2.457 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000487648185 534351886 /nfs/dbraw/zinc/35/18/86/534351886.db2.gz ABSUSKUYHZRDSL-RHSMWYFYSA-N 0 3 302.418 2.459 20 30 DEEDHN Cc1nsc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000297412606 534514701 /nfs/dbraw/zinc/51/47/01/534514701.db2.gz LNQHSJHMIXLFNG-JQWIXIFHSA-N 0 3 319.434 2.414 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)Cc1ccccc1C ZINC000451678593 534571300 /nfs/dbraw/zinc/57/13/00/534571300.db2.gz XDYYYCBMHWBLFY-SJORKVTESA-N 0 3 302.418 2.277 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000450693923 534580071 /nfs/dbraw/zinc/58/00/71/534580071.db2.gz FTRNZAKYPMJIIG-SIXLDLHFSA-N 0 3 302.418 2.385 20 30 DEEDHN N#CC1CCC(CNC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418181158 534580914 /nfs/dbraw/zinc/58/09/14/534580914.db2.gz ZHCZGPWTBOPLFX-XUJLQICISA-N 0 3 300.406 2.316 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000451613378 534611022 /nfs/dbraw/zinc/61/10/22/534611022.db2.gz MZOYEYKOXQAILQ-IEAZIUSSSA-N 0 3 318.392 2.421 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000451604555 534611219 /nfs/dbraw/zinc/61/12/19/534611219.db2.gz HMKAUOQBWWBWCJ-ILXRZTDVSA-N 0 3 306.793 2.378 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000451594096 534611293 /nfs/dbraw/zinc/61/12/93/534611293.db2.gz AFBWYYHSLAPTAO-ABFRBSLYSA-N 0 3 302.418 2.494 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1ccns1)C1CCCC1 ZINC001402093205 1162244948 /nfs/dbraw/zinc/24/49/48/1162244948.db2.gz MZWXPXXVAXISKM-FZMZJTMJSA-N 0 3 306.435 2.067 20 30 DEEDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cnccc1C#N ZINC000365045094 523150905 /nfs/dbraw/zinc/15/09/05/523150905.db2.gz OPNRIIVXXPZAAG-LJQANCHMSA-N 0 3 322.412 2.026 20 30 DEEDHN C[C@H]1CCCCN1CCNC(=O)NCCc1cccc(C#N)c1 ZINC000337226846 526249356 /nfs/dbraw/zinc/24/93/56/526249356.db2.gz RIMDIFCOMWHXIO-HNNXBMFYSA-N 0 3 314.433 2.274 20 30 DEEDHN C=CCN(CCOC)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000189424778 526301219 /nfs/dbraw/zinc/30/12/19/526301219.db2.gz VIZQNVIMVGSUMR-MRXNPFEDSA-N 0 3 317.433 2.148 20 30 DEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCN1C ZINC000299335621 526344072 /nfs/dbraw/zinc/34/40/72/526344072.db2.gz RNVLVBIDPTZMGL-QGZVFWFLSA-N 0 3 312.417 2.350 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000376753780 526426172 /nfs/dbraw/zinc/42/61/72/526426172.db2.gz CSUDNYNWDVTXQG-INIZCTEOSA-N 0 3 317.437 2.297 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](c3ccco3)C2)CC1 ZINC000376223594 526431043 /nfs/dbraw/zinc/43/10/43/526431043.db2.gz BFXXCHAYHNWFNA-AWEZNQCLSA-N 0 3 303.406 2.429 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@@H](CC)CO)C1=O ZINC000337201479 526505503 /nfs/dbraw/zinc/50/55/03/526505503.db2.gz FZTIVPUAWFXZRU-IRXDYDNUSA-N 0 3 302.418 2.046 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429038705 526523386 /nfs/dbraw/zinc/52/33/86/526523386.db2.gz GEHWQTXLBBZFMK-IXDOHACOSA-N 0 3 307.482 2.073 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)CC1 ZINC000332482570 526593630 /nfs/dbraw/zinc/59/36/30/526593630.db2.gz QGNLWPMTSXKBMP-NUEKZKHPSA-N 0 3 323.481 2.386 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCCC[C@H]2O)CC1 ZINC000332338157 526594684 /nfs/dbraw/zinc/59/46/84/526594684.db2.gz NAVYRYFQDDDRSL-HZPDHXFCSA-N 0 3 309.454 2.020 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000193185690 526610888 /nfs/dbraw/zinc/61/08/88/526610888.db2.gz KICRPINXMHIDOH-WFASDCNBSA-N 0 3 301.390 2.128 20 30 DEEDHN CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)CCO1 ZINC000329631436 526679063 /nfs/dbraw/zinc/67/90/63/526679063.db2.gz VVQSWDSGSNINGP-JMSVASOKSA-N 0 3 320.437 2.364 20 30 DEEDHN CC(C)(C)[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329631436 526679075 /nfs/dbraw/zinc/67/90/75/526679075.db2.gz VVQSWDSGSNINGP-JMSVASOKSA-N 0 3 320.437 2.364 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)CC1 ZINC000369756060 526723309 /nfs/dbraw/zinc/72/33/09/526723309.db2.gz CGZHYPUEZGYTQP-FPOVZHCZSA-N 0 3 322.452 2.494 20 30 DEEDHN C#CCCNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000288029968 526735130 /nfs/dbraw/zinc/73/51/30/526735130.db2.gz QQVGSWIQSCIUJL-KRWDZBQOSA-N 0 3 317.433 2.399 20 30 DEEDHN C=CCOCCCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339400124 526753085 /nfs/dbraw/zinc/75/30/85/526753085.db2.gz OKWSCUFLYVAZLF-KRWDZBQOSA-N 0 3 302.418 2.012 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1csc(CC)n1 ZINC000296612149 526817373 /nfs/dbraw/zinc/81/73/73/526817373.db2.gz KPZPVDSLQHQLKL-LBPRGKRZSA-N 0 3 308.451 2.021 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000294906603 526856040 /nfs/dbraw/zinc/85/60/40/526856040.db2.gz JPELIPXXUOAXCH-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCOc1ccc(CN2CCNC[C@](C)(F)C2)cc1OC ZINC000414766853 526869708 /nfs/dbraw/zinc/86/97/08/526869708.db2.gz IMWLDTVYEPUTIB-KRWDZBQOSA-N 0 3 308.397 2.393 20 30 DEEDHN C#CCN(CC#N)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000368535171 526872121 /nfs/dbraw/zinc/87/21/21/526872121.db2.gz UILJJXQHQMPORO-MRXNPFEDSA-N 0 3 313.376 2.023 20 30 DEEDHN C=CCOc1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423102046 526891150 /nfs/dbraw/zinc/89/11/50/526891150.db2.gz JNOXAJDTBMZJJK-ZWKOTPCHSA-N 0 3 302.418 2.108 20 30 DEEDHN C=CC(C)(C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000294622212 526947514 /nfs/dbraw/zinc/94/75/14/526947514.db2.gz FITJPTZQJGJFHN-UHFFFAOYSA-N 0 3 317.389 2.307 20 30 DEEDHN CC(C)(CC#N)CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418300646 526954710 /nfs/dbraw/zinc/95/47/10/526954710.db2.gz XVWJRFMVTZWUJS-HNNXBMFYSA-N 0 3 300.406 2.112 20 30 DEEDHN CC(C)(CC#N)CN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000414169759 526956175 /nfs/dbraw/zinc/95/61/75/526956175.db2.gz SAHLVEAGFVAUKL-HNNXBMFYSA-N 0 3 321.446 2.241 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000341524698 526968375 /nfs/dbraw/zinc/96/83/75/526968375.db2.gz KSBSMSMZELUSHN-STQMWFEESA-N 0 3 301.390 2.001 20 30 DEEDHN C=CCC(C)(C)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000292825802 526993846 /nfs/dbraw/zinc/99/38/46/526993846.db2.gz OVDJFADPBWYWAC-UHFFFAOYSA-N 0 3 305.422 2.241 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000374342175 527066244 /nfs/dbraw/zinc/06/62/44/527066244.db2.gz SIOYHGPVCHRTFN-FUHWJXTLSA-N 0 3 314.429 2.053 20 30 DEEDHN C=CCCCCCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368620506 527115448 /nfs/dbraw/zinc/11/54/48/527115448.db2.gz ZZCQZXCVERBBOD-HZPDHXFCSA-N 0 3 309.454 2.285 20 30 DEEDHN C=CCCCN(C)C(=O)NCc1ccncc1OCCN(C)C ZINC000341960084 527185122 /nfs/dbraw/zinc/18/51/22/527185122.db2.gz PFDFGOGULQKXIB-UHFFFAOYSA-N 0 3 320.437 2.130 20 30 DEEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000302095410 527224728 /nfs/dbraw/zinc/22/47/28/527224728.db2.gz IVCVNHAFUGWWHY-QGZVFWFLSA-N 0 3 315.417 2.266 20 30 DEEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)C(C)C ZINC000297531191 527269652 /nfs/dbraw/zinc/26/96/52/527269652.db2.gz AMAVTYCUQUINST-OAHLLOKOSA-N 0 3 307.463 2.479 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(C)C)CC1 ZINC000295815240 527270651 /nfs/dbraw/zinc/27/06/51/527270651.db2.gz BIWMRWYVEITUBR-UHFFFAOYSA-N 0 3 314.437 2.380 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1 ZINC000377551397 527433470 /nfs/dbraw/zinc/43/34/70/527433470.db2.gz XHQZVGWMXWOFKL-MOPGFXCFSA-N 0 3 309.413 2.490 20 30 DEEDHN C#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000377551400 527434471 /nfs/dbraw/zinc/43/44/71/527434471.db2.gz XHQZVGWMXWOFKL-RTBURBONSA-N 0 3 309.413 2.490 20 30 DEEDHN CC(C)(C#N)CCCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000444684451 527460709 /nfs/dbraw/zinc/46/07/09/527460709.db2.gz JXYCDYWUWXLFMF-MRXNPFEDSA-N 0 3 321.465 2.058 20 30 DEEDHN Cn1ccnc1[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000365644659 527467342 /nfs/dbraw/zinc/46/73/42/527467342.db2.gz XXMHVIWUGQDQQS-DLBZAZTESA-N 0 3 310.401 2.205 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000442678461 527611316 /nfs/dbraw/zinc/61/13/16/527611316.db2.gz LJANVTGXYAGMEM-RTBURBONSA-N 0 3 316.445 2.342 20 30 DEEDHN CCCN(CC(=O)NCC#N)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000246888184 527890527 /nfs/dbraw/zinc/89/05/27/527890527.db2.gz GFJXHTPRAVFASG-HUUCEWRRSA-N 0 3 307.438 2.076 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337408900 528697082 /nfs/dbraw/zinc/69/70/82/528697082.db2.gz MUBHDROTFPYGOH-AGIUHOORSA-N 0 3 317.380 2.135 20 30 DEEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1c[nH]c(C#N)c1 ZINC000458223234 535870125 /nfs/dbraw/zinc/87/01/25/535870125.db2.gz MFWBYRIQMSZHBS-UHFFFAOYSA-N 0 3 302.403 2.152 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](OC)CC1 ZINC000374681663 536882143 /nfs/dbraw/zinc/88/21/43/536882143.db2.gz WTOKGKKKOGBZHD-OAHLLOKOSA-N 0 3 304.390 2.447 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001369741315 1149129876 /nfs/dbraw/zinc/12/98/76/1149129876.db2.gz BVNYHWGLRWCOGS-DZGCQCFKSA-N 0 3 324.856 2.372 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1nc(C)c[nH]1 ZINC001369742822 1149132712 /nfs/dbraw/zinc/13/27/12/1149132712.db2.gz FLUPWHMVTGXTHS-CHWSQXEVSA-N 0 3 310.829 2.443 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSC(F)F)c1 ZINC000835061537 649873953 /nfs/dbraw/zinc/87/39/53/649873953.db2.gz MTROBPPFMIZYSQ-SNVBAGLBSA-N 0 3 314.313 2.298 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCc1ccc2c(c1)CN(C(C)C)C2 ZINC001327686152 1148622834 /nfs/dbraw/zinc/62/28/34/1148622834.db2.gz WOSHHQSXXBVDDY-AWEZNQCLSA-N 0 3 300.402 2.065 20 30 DEEDHN C=CCN1CCC(Nc2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000819750340 599541152 /nfs/dbraw/zinc/54/11/52/599541152.db2.gz DAWVENYSWPBURY-UHFFFAOYSA-N 0 3 320.347 2.207 20 30 DEEDHN C=C(C)CCC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC001327991440 1148693884 /nfs/dbraw/zinc/69/38/84/1148693884.db2.gz XUFNMSGCTGYTKV-UHFFFAOYSA-N 0 3 308.451 2.365 20 30 DEEDHN C=CCCOCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823899136 609154081 /nfs/dbraw/zinc/15/40/81/609154081.db2.gz NDDAJSQDVCTUDV-LLVKDONJSA-N 0 3 305.357 2.249 20 30 DEEDHN C[N@@H+]1CCCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826029973 609473149 /nfs/dbraw/zinc/47/31/49/609473149.db2.gz YTGFGGVWJIUBNG-UHFFFAOYSA-N 0 3 319.800 2.404 20 30 DEEDHN C[N@H+]1CCCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826029973 609473151 /nfs/dbraw/zinc/47/31/51/609473151.db2.gz YTGFGGVWJIUBNG-UHFFFAOYSA-N 0 3 319.800 2.404 20 30 DEEDHN C[N@@H+]1CCCC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826029973 609473153 /nfs/dbraw/zinc/47/31/53/609473153.db2.gz YTGFGGVWJIUBNG-UHFFFAOYSA-N 0 3 319.800 2.404 20 30 DEEDHN C[N@H+]1CCCC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826029973 609473155 /nfs/dbraw/zinc/47/31/55/609473155.db2.gz YTGFGGVWJIUBNG-UHFFFAOYSA-N 0 3 319.800 2.404 20 30 DEEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(C)ncn1 ZINC001025222517 625280296 /nfs/dbraw/zinc/28/02/96/625280296.db2.gz VJZZIPIMDSJFQJ-IRXDYDNUSA-N 0 3 314.433 2.430 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001023479737 625287731 /nfs/dbraw/zinc/28/77/31/625287731.db2.gz OFXSYZAMHNCXAM-ZDUSSCGKSA-N 0 3 306.356 2.348 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C[C@@H]1C ZINC000947567736 625324776 /nfs/dbraw/zinc/32/47/76/625324776.db2.gz HNFLRBMEJVBTEB-GXTWGEPZSA-N 0 3 314.389 2.438 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001018633097 625348947 /nfs/dbraw/zinc/34/89/47/625348947.db2.gz UBGLDMQPZUCKSY-PWSUYJOCSA-N 0 3 309.772 2.329 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccncc2Cl)C1 ZINC001023616105 625351000 /nfs/dbraw/zinc/35/10/00/625351000.db2.gz RAHJKVOLJUEQFO-ZDUSSCGKSA-N 0 3 305.809 2.200 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(OC)cc2Cl)C1 ZINC001023653030 625373806 /nfs/dbraw/zinc/37/38/06/625373806.db2.gz UPZKOTPHADHVMK-ZDUSSCGKSA-N 0 3 320.820 2.424 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C[C@H]1C ZINC000947676229 625384305 /nfs/dbraw/zinc/38/43/05/625384305.db2.gz TVOMLYJIYOEBGW-WBVHZDCISA-N 0 3 323.440 2.323 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnn(CCCC)c2C)C1 ZINC001023694725 625390880 /nfs/dbraw/zinc/39/08/80/625390880.db2.gz JENALWFBTDIPBM-MRXNPFEDSA-N 0 3 316.449 2.067 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001023717055 625396796 /nfs/dbraw/zinc/39/67/96/625396796.db2.gz BGNSXFDDMXESRY-HNNXBMFYSA-N 0 3 300.402 2.160 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cncnc2C(C)C)C1 ZINC001023748262 625420938 /nfs/dbraw/zinc/42/09/38/625420938.db2.gz RYGHXODACOVAOP-OAHLLOKOSA-N 0 3 314.433 2.065 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001023774476 625434685 /nfs/dbraw/zinc/43/46/85/625434685.db2.gz KQTCUWRKDFVMCU-MRXNPFEDSA-N 0 3 313.445 2.218 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2scnc2CC)C1 ZINC001025440135 625437214 /nfs/dbraw/zinc/43/72/14/625437214.db2.gz PVCXKKZDILCXAO-STQMWFEESA-N 0 3 305.447 2.169 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC001025445668 625442454 /nfs/dbraw/zinc/44/24/54/625442454.db2.gz RLGOCBBEAUEBPZ-GXTWGEPZSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccsc2COC)C1 ZINC001025457438 625449253 /nfs/dbraw/zinc/44/92/53/625449253.db2.gz CFIBSNIWYOAHBM-ZIAGYGMSSA-N 0 3 320.458 2.358 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cncc3[nH]ccc32)C1 ZINC001025467804 625462039 /nfs/dbraw/zinc/46/20/39/625462039.db2.gz DENZMWQQBYQINM-ZIAGYGMSSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3cnccc3o2)C1 ZINC001025472202 625463163 /nfs/dbraw/zinc/46/31/63/625463163.db2.gz ODFZYLDYWKNKHV-UONOGXRCSA-N 0 3 311.385 2.291 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn3ccnc3c2)C1 ZINC001025483296 625475739 /nfs/dbraw/zinc/47/57/39/625475739.db2.gz XITFRTUODXBUKI-WBVHZDCISA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2csc(C)n2)C1 ZINC001025512603 625492699 /nfs/dbraw/zinc/49/26/99/625492699.db2.gz LXXBQTIBUDKGOV-TZMCWYRMSA-N 0 3 305.447 2.305 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC000972739107 625510217 /nfs/dbraw/zinc/51/02/17/625510217.db2.gz AFPVFUFIXZQGDY-RHSMWYFYSA-N 0 3 300.402 2.017 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001025532997 625514705 /nfs/dbraw/zinc/51/47/05/625514705.db2.gz GRDHKLZXXULJSI-DOTOQJQBSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC000972759763 625535950 /nfs/dbraw/zinc/53/59/50/625535950.db2.gz MFEBSSOGKKKLQH-CABCVRRESA-N 0 3 320.458 2.471 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2sc(CC)nc2C)C1 ZINC001025555435 625543278 /nfs/dbraw/zinc/54/32/78/625543278.db2.gz NGHGTAKQNYJBRU-GXTWGEPZSA-N 0 3 319.474 2.477 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(C3CC3)n2)C1 ZINC001025553891 625538294 /nfs/dbraw/zinc/53/82/94/625538294.db2.gz CHADUBRNFNVHHO-HIFRSBDPSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001025560238 625553692 /nfs/dbraw/zinc/55/36/92/625553692.db2.gz BQTDJSDZVSNUPD-NVXWUHKLSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001020418466 622620977 /nfs/dbraw/zinc/62/09/77/622620977.db2.gz XMGQBDRANXFVHH-TUVASFSCSA-N 0 3 312.841 2.323 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC000969491299 622794733 /nfs/dbraw/zinc/79/47/33/622794733.db2.gz IQIQKJLTHYTSFP-OAHLLOKOSA-N 0 3 304.821 2.405 20 30 DEEDHN C=C(C)CN1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025584493 625595928 /nfs/dbraw/zinc/59/59/28/625595928.db2.gz HYWGRQBWTFESTF-LSDHHAIUSA-N 0 3 317.433 2.090 20 30 DEEDHN C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(CC2=CCCCC2)C1 ZINC000969513734 622804849 /nfs/dbraw/zinc/80/48/49/622804849.db2.gz GLWKOUSGNHIEMF-ZDUSSCGKSA-N 0 3 312.417 2.437 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccc(OC)nc2)C1 ZINC000969570420 622825176 /nfs/dbraw/zinc/82/51/76/622825176.db2.gz POHFEVQBTZYWBE-OAHLLOKOSA-N 0 3 317.433 2.383 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001020569084 622880080 /nfs/dbraw/zinc/88/00/80/622880080.db2.gz KMQFLOIQPVZJIP-HAQNSBGRSA-N 0 3 313.239 2.322 20 30 DEEDHN C=CCOc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1 ZINC000892788334 625608478 /nfs/dbraw/zinc/60/84/78/625608478.db2.gz CLLCKZKPQOBQHA-GOSISDBHSA-N 0 3 300.402 2.466 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001020615243 622963530 /nfs/dbraw/zinc/96/35/30/622963530.db2.gz OPDPWQMOABSFSW-ZQDZILKHSA-N 0 3 305.809 2.174 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC000969908631 622986780 /nfs/dbraw/zinc/98/67/80/622986780.db2.gz UGJRYCUOONERJT-AWEZNQCLSA-N 0 3 323.396 2.415 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CNCc2ccn(C)n2)C1 ZINC001024135113 625614189 /nfs/dbraw/zinc/61/41/89/625614189.db2.gz JEKCIDVKIMMARN-QAPCUYQASA-N 0 3 318.465 2.351 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnn(C(C)C)c2)C1 ZINC001025596162 625616335 /nfs/dbraw/zinc/61/63/35/625616335.db2.gz YIOVBDYAPUNWIO-CVEARBPZSA-N 0 3 316.449 2.318 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)ccc1F ZINC000970084503 623101716 /nfs/dbraw/zinc/10/17/16/623101716.db2.gz BARRSBAENUASDJ-CABCVRRESA-N 0 3 313.376 2.188 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)cc2OC)C1 ZINC001025600518 625621644 /nfs/dbraw/zinc/62/16/44/625621644.db2.gz MXNURNZZBFMYQG-JKSUJKDBSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC000970178556 623283194 /nfs/dbraw/zinc/28/31/94/623283194.db2.gz JDELHJWTXCDINB-KBPBESRZSA-N 0 3 312.413 2.083 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cnc(CC3CC3)s2)C1 ZINC000970202336 623326444 /nfs/dbraw/zinc/32/64/44/623326444.db2.gz SIASBSGLPZLPGM-GFCCVEGCSA-N 0 3 317.458 2.169 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)ccnc2OCC)C1 ZINC000970209423 623329568 /nfs/dbraw/zinc/32/95/68/623329568.db2.gz GGTDHJVVSMGKJG-CQSZACIVSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001025610489 625643603 /nfs/dbraw/zinc/64/36/03/625643603.db2.gz WTHVSQUBNJGAGQ-DOTOQJQBSA-N 0 3 313.445 2.216 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccn(C(C)C)c2C)C1 ZINC000970315288 623395079 /nfs/dbraw/zinc/39/50/79/623395079.db2.gz WZRAUAMROHBKKW-AWEZNQCLSA-N 0 3 301.434 2.451 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC000970327028 623403843 /nfs/dbraw/zinc/40/38/43/623403843.db2.gz BMSAKUZXFJAYTP-QGZVFWFLSA-N 0 3 305.381 2.186 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000970350076 623413116 /nfs/dbraw/zinc/41/31/16/623413116.db2.gz AYVOIZDPKPMTND-SNVBAGLBSA-N 0 3 310.319 2.177 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001025614346 625648691 /nfs/dbraw/zinc/64/86/91/625648691.db2.gz KGXLPTMTXNTMKO-HZPDHXFCSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnnc3ccccc32)C1 ZINC000970493766 623478819 /nfs/dbraw/zinc/47/88/19/623478819.db2.gz VUUJUELLORBNQB-CYBMUJFWSA-N 0 3 310.401 2.256 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2sc(C)nc2C)C1 ZINC001025615031 625650704 /nfs/dbraw/zinc/65/07/04/625650704.db2.gz RUEMMIHTZUWODS-BXUZGUMPSA-N 0 3 305.447 2.223 20 30 DEEDHN CC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000970545817 623532777 /nfs/dbraw/zinc/53/27/77/623532777.db2.gz BUDDMYRLLZPXJN-CQSZACIVSA-N 0 3 303.381 2.434 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000970594977 623562964 /nfs/dbraw/zinc/56/29/64/623562964.db2.gz YPWUURHDXFDHIJ-WMLDXEAASA-N 0 3 312.413 2.013 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3cccnc3s2)C1 ZINC000970687385 623616457 /nfs/dbraw/zinc/61/64/57/623616457.db2.gz ICZNDAMBHKHUPP-GFCCVEGCSA-N 0 3 313.426 2.370 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cn(CCCC)nc2C)C1 ZINC000970716595 623639099 /nfs/dbraw/zinc/63/90/99/623639099.db2.gz QSTSUOWNSYPKMG-CQSZACIVSA-N 0 3 316.449 2.065 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(C3(O)CCC3)CC2)CC1 ZINC000892851272 625665113 /nfs/dbraw/zinc/66/51/13/625665113.db2.gz FVTRBOJGYALLDN-UHFFFAOYSA-N 0 3 321.465 2.021 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)c(F)c2)C[C@H]1C ZINC000947411119 623752094 /nfs/dbraw/zinc/75/20/94/623752094.db2.gz DKSLTOVIQPJDCS-TZMCWYRMSA-N 0 3 304.365 2.050 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(F)cn2)C1 ZINC001021568325 623769724 /nfs/dbraw/zinc/76/97/24/623769724.db2.gz IYDKDDKELUIAKX-RHSMWYFYSA-N 0 3 315.392 2.171 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249283 623793407 /nfs/dbraw/zinc/79/34/07/623793407.db2.gz QFBDWJBGDQIZOD-WMZOPIPTSA-N 0 3 316.449 2.411 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000970934560 623804400 /nfs/dbraw/zinc/80/44/00/623804400.db2.gz VBWDRUUDYAYMFJ-NSHDSACASA-N 0 3 315.373 2.160 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C)nc(C)c2)C1 ZINC001021601240 623813220 /nfs/dbraw/zinc/81/32/20/623813220.db2.gz 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623991268 /nfs/dbraw/zinc/99/12/68/623991268.db2.gz VBBXHEUNYLOXPJ-HOCLYGCPSA-N 0 3 315.392 2.171 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(Cl)n2)C1 ZINC001021711399 623994139 /nfs/dbraw/zinc/99/41/39/623994139.db2.gz WEJXIKMHPQMZMB-DGCLKSJQSA-N 0 3 323.849 2.356 20 30 DEEDHN CC(F)(F)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001021771737 624063308 /nfs/dbraw/zinc/06/33/08/624063308.db2.gz KGJLMBSLEVAHAP-TXEJJXNPSA-N 0 3 311.307 2.089 20 30 DEEDHN CC[C@H](OC)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971190763 624066418 /nfs/dbraw/zinc/06/64/18/624066418.db2.gz IRFBXARCTSQYGL-IRXDYDNUSA-N 0 3 315.417 2.016 20 30 DEEDHN COc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)ccc1C ZINC000971208279 624069647 /nfs/dbraw/zinc/06/96/47/624069647.db2.gz KVDMOEIDGDSZRB-GDBMZVCRSA-N 0 3 315.417 2.196 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)c3ccc[nH]3)C2)c1 ZINC001021830128 624119319 /nfs/dbraw/zinc/11/93/19/624119319.db2.gz FHIHHMZDQHVJJU-OKILXGFUSA-N 0 3 312.348 2.076 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000971396735 624124318 /nfs/dbraw/zinc/12/43/18/624124318.db2.gz IMRIZCYFSHPVJR-SFHVURJKSA-N 0 3 323.396 2.427 20 30 DEEDHN Cc1nc(C(=O)N2CC[C@@H](N(C)Cc3cccc(C#N)c3)C2)co1 ZINC000971400751 624126012 /nfs/dbraw/zinc/12/60/12/624126012.db2.gz OJJBZWBYJKJJLD-MRXNPFEDSA-N 0 3 324.384 2.201 20 30 DEEDHN CCOc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121324204 624130834 /nfs/dbraw/zinc/13/08/34/624130834.db2.gz DXMRHDMQMIABIK-OAHLLOKOSA-N 0 3 300.358 2.005 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001025633515 625697866 /nfs/dbraw/zinc/69/78/66/625697866.db2.gz VFBNPWYRGOTIEI-RJGWXTLFSA-N 0 3 300.446 2.128 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2csc([C@H](C)OC)n2)C1 ZINC000971538541 624185123 /nfs/dbraw/zinc/18/51/23/624185123.db2.gz DPZZFTLLQAAZLK-NWDGAFQWSA-N 0 3 309.435 2.183 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001022074519 624192623 /nfs/dbraw/zinc/19/26/23/624192623.db2.gz CMBWFVNLGACNHO-BETUJISGSA-N 0 3 305.809 2.103 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001022165315 624488856 /nfs/dbraw/zinc/48/88/56/624488856.db2.gz ZAWYLJAFEBVIDT-OKILXGFUSA-N 0 3 323.824 2.472 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2F)C1 ZINC000971676212 624500174 /nfs/dbraw/zinc/50/01/74/624500174.db2.gz DIGZYNIZVWVOBY-AWEZNQCLSA-N 0 3 305.397 2.224 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnn3c2ccc(C)c3C)C1 ZINC000971715387 624516868 /nfs/dbraw/zinc/51/68/68/624516868.db2.gz GQNVXIJUWHGGDJ-OAHLLOKOSA-N 0 3 312.417 2.283 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001022379319 624625486 /nfs/dbraw/zinc/62/54/86/624625486.db2.gz AGSBDSIDLIOUOL-BETUJISGSA-N 0 3 318.808 2.246 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001022421451 624646716 /nfs/dbraw/zinc/64/67/16/624646716.db2.gz MMOHZXNNOOBOQD-OKILXGFUSA-N 0 3 318.808 2.095 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3c(C)noc3C)C2)cc1 ZINC001022526207 624709567 /nfs/dbraw/zinc/70/95/67/624709567.db2.gz BHUZIFPTRUOZGH-CALCHBBNSA-N 0 3 323.396 2.323 20 30 DEEDHN COc1cc(C#N)ccc1CN1CCCCCNC(=O)CC1 ZINC000934154387 624754534 /nfs/dbraw/zinc/75/45/34/624754534.db2.gz CAMGLBLJZWIDQL-UHFFFAOYSA-N 0 3 301.390 2.059 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C(C)C)n3)C2)C1 ZINC001022675049 624812571 /nfs/dbraw/zinc/81/25/71/624812571.db2.gz NUBAAGSLZABIRH-BETUJISGSA-N 0 3 317.437 2.021 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000978750634 634410934 /nfs/dbraw/zinc/41/09/34/634410934.db2.gz XTTQBQDOJLKQKO-OSYLJGHBSA-N 0 3 320.392 2.487 20 30 DEEDHN C=CCCC[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000892188391 624832092 /nfs/dbraw/zinc/83/20/92/624832092.db2.gz HRUSFFDCPFFSGS-IRXDYDNUSA-N 0 3 317.433 2.372 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022736057 624883133 /nfs/dbraw/zinc/88/31/33/624883133.db2.gz KRFMZGYNJCVMBH-DLTWYDFYSA-N 0 3 318.392 2.154 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)C[C@H]1C ZINC000947501679 624887634 /nfs/dbraw/zinc/88/76/34/624887634.db2.gz BUWKNXQVHWDXTM-HIFRSBDPSA-N 0 3 311.385 2.434 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000972234673 624898977 /nfs/dbraw/zinc/89/89/77/624898977.db2.gz IPNLNIVWTDRJCK-ZDUSSCGKSA-N 0 3 304.438 2.050 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC001027670642 634422621 /nfs/dbraw/zinc/42/26/21/634422621.db2.gz KSGAJFKGLYZSAO-CQSZACIVSA-N 0 3 302.443 2.406 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc([C@@H](C)CC)no3)[C@@H]2C1 ZINC000978808744 634426150 /nfs/dbraw/zinc/42/61/50/634426150.db2.gz ULCOSTGUYRJXCK-ZQDZILKHSA-N 0 3 315.417 2.119 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001024737863 625025465 /nfs/dbraw/zinc/02/54/65/625025465.db2.gz OPKKRDPHESKKIF-HNNXBMFYSA-N 0 3 315.417 2.235 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001024745240 625027029 /nfs/dbraw/zinc/02/70/29/625027029.db2.gz RERXAUNJXGOPMV-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2CC[C@@H](C)F)nc1 ZINC001024764110 625044806 /nfs/dbraw/zinc/04/48/06/625044806.db2.gz MWNWLZIOZSFWFF-GDBMZVCRSA-N 0 3 317.408 2.395 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccn(CC)c2C)C[C@H]1C ZINC000947643454 625067955 /nfs/dbraw/zinc/06/79/55/625067955.db2.gz KUYDFUPUNICSQG-GDBMZVCRSA-N 0 3 301.434 2.422 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC001024828968 625071569 /nfs/dbraw/zinc/07/15/69/625071569.db2.gz REMSWZZGCSYSMV-HZPDHXFCSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001022909756 625090339 /nfs/dbraw/zinc/09/03/39/625090339.db2.gz WYEWJKAMRICAME-YVECIDJPSA-N 0 3 315.255 2.424 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC001025981270 625101882 /nfs/dbraw/zinc/10/18/82/625101882.db2.gz SKRACPTXNLTLFA-JZRPKSSGSA-N 0 3 302.340 2.197 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnc(C)nc2C(C)C)C1 ZINC000972484860 625118559 /nfs/dbraw/zinc/11/85/59/625118559.db2.gz FOYPPGFFHQHCTP-AWEZNQCLSA-N 0 3 302.422 2.241 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccn(CC(C)C)n2)C1 ZINC001023397287 625252800 /nfs/dbraw/zinc/25/28/00/625252800.db2.gz CNDXQTOPAWGWNW-MRXNPFEDSA-N 0 3 316.449 2.004 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C)n1C ZINC001025199083 625256818 /nfs/dbraw/zinc/25/68/18/625256818.db2.gz SVFJKKKGNBRHFO-SJORKVTESA-N 0 3 313.445 2.426 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(OC)c(F)c2)C1 ZINC001023425292 625264365 /nfs/dbraw/zinc/26/43/65/625264365.db2.gz GKTVYYHOFUZCMR-AWEZNQCLSA-N 0 3 318.392 2.299 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001007510943 625279426 /nfs/dbraw/zinc/27/94/26/625279426.db2.gz NWMFHGKSZDSSFJ-LLVKDONJSA-N 0 3 310.829 2.396 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001027693768 634448068 /nfs/dbraw/zinc/44/80/68/634448068.db2.gz JDNWGNNCRHPZHY-SJORKVTESA-N 0 3 301.434 2.222 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC000998949967 634449691 /nfs/dbraw/zinc/44/96/91/634449691.db2.gz ZHURVHUIJXFOIU-UHFFFAOYSA-N 0 3 318.808 2.460 20 30 DEEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC=C(C)C ZINC001024488448 625811800 /nfs/dbraw/zinc/81/18/00/625811800.db2.gz YWPFLTDDEJFLPR-MSOLQXFVSA-N 0 3 317.477 2.021 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001027699448 634453471 /nfs/dbraw/zinc/45/34/71/634453471.db2.gz CWCUDJMOCRCJQK-PXNSSMCTSA-N 0 3 310.441 2.447 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001024498203 625819046 /nfs/dbraw/zinc/81/90/46/625819046.db2.gz UPDHKQQVMQFDHM-MRXNPFEDSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C[C@@H](C(=O)N1CC[C@H](NCc2ccnn2C)C1)c1ccccc1 ZINC001019805286 625836748 /nfs/dbraw/zinc/83/67/48/625836748.db2.gz ZEARAEKTRYFIQJ-FUHWJXTLSA-N 0 3 324.428 2.080 20 30 DEEDHN CC1(C)CO[C@@H](CC(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000892484393 625868724 /nfs/dbraw/zinc/86/87/24/625868724.db2.gz IRIVSUZQXHYUKH-LSDHHAIUSA-N 0 3 314.385 2.217 20 30 DEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892492571 625889559 /nfs/dbraw/zinc/88/95/59/625889559.db2.gz VRHIHKIUDUUIAF-DZGCQCFKSA-N 0 3 318.417 2.493 20 30 DEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@H](C)CO1 ZINC000892494653 625891812 /nfs/dbraw/zinc/89/18/12/625891812.db2.gz FMWDJFIVMFFRFQ-YWPYICTPSA-N 0 3 316.357 2.158 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001024578454 625902659 /nfs/dbraw/zinc/90/26/59/625902659.db2.gz UDUCLJRJAIERLK-CQSZACIVSA-N 0 3 303.406 2.406 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001024617043 625933322 /nfs/dbraw/zinc/93/33/22/625933322.db2.gz AHYHIUHFHKYWHX-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001024620877 625938087 /nfs/dbraw/zinc/93/80/87/625938087.db2.gz DMBPQRQAEYNZQC-DLBZAZTESA-N 0 3 311.429 2.105 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001024671517 625958429 /nfs/dbraw/zinc/95/84/29/625958429.db2.gz GNGZUOCMOGCMFU-AWEZNQCLSA-N 0 3 302.422 2.141 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000978990543 634471889 /nfs/dbraw/zinc/47/18/89/634471889.db2.gz XNQPWEGULGDNDF-QKDCVEJESA-N 0 3 322.330 2.246 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc4c(s3)CCCC4)[C@@H]2C1 ZINC000979043916 634484788 /nfs/dbraw/zinc/48/47/88/634484788.db2.gz LANSPAFNCUSCEQ-QKDCVEJESA-N 0 3 314.454 2.168 20 30 DEEDHN CN1CC[C@H](NC(=O)N2CCC[C@H](C#N)C2)[C@@H]1c1ccccc1 ZINC000921678293 634510854 /nfs/dbraw/zinc/51/08/54/634510854.db2.gz KGCPNJCDOMIVPL-PVAVHDDUSA-N 0 3 312.417 2.377 20 30 DEEDHN C=CCOc1ccc(C(=O)N2CCC[C@H](NCCF)C2)cc1 ZINC000999547321 634624216 /nfs/dbraw/zinc/62/42/16/634624216.db2.gz OJMZFDMZFYACQS-HNNXBMFYSA-N 0 3 306.381 2.415 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3cnn(C)c3)C[C@H]2C1 ZINC000979524431 634669099 /nfs/dbraw/zinc/66/90/99/634669099.db2.gz YXILHQUVDHEREY-KCQAQPDRSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)c3ccon3)C[C@H]2C1 ZINC000979538692 634674908 /nfs/dbraw/zinc/67/49/08/634674908.db2.gz MBWCLJLEINKLRN-RWMBFGLXSA-N 0 3 309.797 2.257 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC000999899822 634698395 /nfs/dbraw/zinc/69/83/95/634698395.db2.gz HOEHCRIPCOOCJZ-NFOMZHRRSA-N 0 3 324.856 2.392 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3=CCOCC3)C[C@H]2C1 ZINC000979684829 634741474 /nfs/dbraw/zinc/74/14/74/634741474.db2.gz JPVUDPUSWYMQFY-JYJNAYRXSA-N 0 3 324.852 2.302 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3c(C)ccn3C)CC2)CC1 ZINC001000131778 634761176 /nfs/dbraw/zinc/76/11/76/634761176.db2.gz BXUOAUOJFNBWBE-UHFFFAOYSA-N 0 3 313.445 2.331 20 30 DEEDHN CC(C)c1nc2n(n1)C[C@H](NCc1csc(C#N)c1)CC2 ZINC000921701771 634784746 /nfs/dbraw/zinc/78/47/46/634784746.db2.gz HNJCKSWLHBMKBT-GFCCVEGCSA-N 0 3 301.419 2.439 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3conc3CC)CC2)CC1 ZINC001000256065 634827602 /nfs/dbraw/zinc/82/76/02/634827602.db2.gz JXWUITGBUFXDQO-UHFFFAOYSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCCOC(=O)[C@@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000835832413 649998467 /nfs/dbraw/zinc/99/84/67/649998467.db2.gz WHJVSCLHWDFDBO-CYBMUJFWSA-N 0 3 305.374 2.413 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000836218911 650066539 /nfs/dbraw/zinc/06/65/39/650066539.db2.gz WJUSGQVPDHCDEZ-UHFFFAOYSA-N 0 3 320.340 2.239 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000836443755 650092240 /nfs/dbraw/zinc/09/22/40/650092240.db2.gz KGUPTTOZIINOGE-INIZCTEOSA-N 0 3 319.836 2.062 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cn(CCC)nc1C ZINC001024731911 632953177 /nfs/dbraw/zinc/95/31/77/632953177.db2.gz NUCIRMUJJJMMAT-INIZCTEOSA-N 0 3 316.449 2.209 20 30 DEEDHN Cc1ncsc1CN[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995800489 633119631 /nfs/dbraw/zinc/11/96/31/633119631.db2.gz YSDKESCUNQZZCX-HNNXBMFYSA-N 0 3 317.458 2.192 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2cn(C)nc2C)C(C)(C)C1 ZINC000996141453 633195612 /nfs/dbraw/zinc/19/56/12/633195612.db2.gz XMGPUXKCEUPGAA-HNNXBMFYSA-N 0 3 318.465 2.267 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)c(F)c2)C(C)(C)C1 ZINC000974694130 633244959 /nfs/dbraw/zinc/24/49/59/633244959.db2.gz ZNPSNKAWPSUSDA-HNNXBMFYSA-N 0 3 306.356 2.428 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ncc(F)cc2F)C(C)(C)C1 ZINC000974739419 633282378 /nfs/dbraw/zinc/28/23/78/633282378.db2.gz YPSGQLYDITWKPN-CYBMUJFWSA-N 0 3 309.360 2.376 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn3ccccc23)C(C)(C)C1 ZINC000974806370 633307578 /nfs/dbraw/zinc/30/75/78/633307578.db2.gz CLMPQBPYXSWWLV-KRWDZBQOSA-N 0 3 309.413 2.403 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C(C)(C)C1 ZINC000974803970 633308043 /nfs/dbraw/zinc/30/80/43/633308043.db2.gz SYCGTFMPCVJXPT-GVDBMIGSSA-N 0 3 320.477 2.452 20 30 DEEDHN C=C1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000893397963 633332854 /nfs/dbraw/zinc/33/28/54/633332854.db2.gz GIWAICDGLMYAFX-UHFFFAOYSA-N 0 3 309.454 2.237 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C(C)(C)C1 ZINC000974978986 633382022 /nfs/dbraw/zinc/38/20/22/633382022.db2.gz CAAWMHGYWHFMDO-IAGOWNOFSA-N 0 3 314.404 2.315 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C)nc(OC)c2)C(C)(C)C1 ZINC000974979011 633382282 /nfs/dbraw/zinc/38/22/82/633382282.db2.gz CBAAXBMVNUXUSR-HNNXBMFYSA-N 0 3 317.433 2.415 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(OC)cc2C)C(C)(C)C1 ZINC000974992056 633383413 /nfs/dbraw/zinc/38/34/13/633383413.db2.gz GWKJOQYLENHEKG-KRWDZBQOSA-N 0 3 314.429 2.467 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(OC)cc2C)C(C)(C)C1 ZINC000974992058 633383564 /nfs/dbraw/zinc/38/35/64/633383564.db2.gz GWKJOQYLENHEKG-QGZVFWFLSA-N 0 3 314.429 2.467 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CN(CC[C@@H](C)F)CC2(C)C)c1 ZINC000975012869 633390442 /nfs/dbraw/zinc/39/04/42/633390442.db2.gz UPNOVUYBMJHLRX-CJNGLKHVSA-N 0 3 317.408 2.251 20 30 DEEDHN N#CC(C(=O)CCCn1ccccc1=O)c1nc2ccccc2[nH]1 ZINC000735203627 633489420 /nfs/dbraw/zinc/48/94/20/633489420.db2.gz JCKIMMBNSCPDAG-ZDUSSCGKSA-N 0 3 320.352 2.381 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2cc(C)ncn2)CC1 ZINC000996879462 633490235 /nfs/dbraw/zinc/49/02/35/633490235.db2.gz WLMRXDSZELZXRW-UHFFFAOYSA-N 0 3 302.422 2.078 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCc3ccccc3C2)CC1 ZINC000735257008 633494554 /nfs/dbraw/zinc/49/45/54/633494554.db2.gz GPKHNBFPLCUDPJ-MRXNPFEDSA-N 0 3 310.441 2.253 20 30 DEEDHN C=C(Br)CNC1CCN(C(=O)[C@@H](F)CC)CC1 ZINC000996883617 633495229 /nfs/dbraw/zinc/49/52/29/633495229.db2.gz TXZXGSNIFPSHIL-NSHDSACASA-N 0 3 307.207 2.224 20 30 DEEDHN N#Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000125052825 633497419 /nfs/dbraw/zinc/49/74/19/633497419.db2.gz MUKGFOQPBUSBAC-HNNXBMFYSA-N 0 3 318.336 2.233 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC(NCc3cc(C)ncn3)CC2)C1 ZINC000996972925 633549597 /nfs/dbraw/zinc/54/95/97/633549597.db2.gz BJKHXCFIODVIKW-UHFFFAOYSA-N 0 3 314.433 2.222 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001027327344 633656610 /nfs/dbraw/zinc/65/66/10/633656610.db2.gz NMGOBGHMOYZNDG-MRXNPFEDSA-N 0 3 324.384 2.283 20 30 DEEDHN COc1cccc(CN(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c1 ZINC001027336944 633664590 /nfs/dbraw/zinc/66/45/90/633664590.db2.gz WGQKVSODVRLTSD-HOCLYGCPSA-N 0 3 315.417 2.278 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc3cnccc3o2)CC1 ZINC000997203307 633674446 /nfs/dbraw/zinc/67/44/46/633674446.db2.gz PIRSZFWFALTTSN-CYBMUJFWSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nc(Cl)cs2)CC1 ZINC000997278499 633690740 /nfs/dbraw/zinc/69/07/40/633690740.db2.gz FCRAYNCMOLMWAX-SNVBAGLBSA-N 0 3 311.838 2.260 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@H](C)C2CCN(CC#C)CC2)cc1 ZINC000997333948 633703086 /nfs/dbraw/zinc/70/30/86/633703086.db2.gz OZVWICLITMBHAC-MRXNPFEDSA-N 0 3 324.424 2.162 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2coc(C3CC3)n2)CC1 ZINC000997337882 633708165 /nfs/dbraw/zinc/70/81/65/633708165.db2.gz QXNUDTJZICCSMV-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cnn(C(F)F)c2)CC1 ZINC000997367753 633716281 /nfs/dbraw/zinc/71/62/81/633716281.db2.gz JPMXOLBQAVPTTE-GFCCVEGCSA-N 0 3 324.375 2.132 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001027410950 633749061 /nfs/dbraw/zinc/74/90/61/633749061.db2.gz IYPZLLMKYWQSID-CHWSQXEVSA-N 0 3 321.446 2.020 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2nsc3ccccc32)C1 ZINC001027423442 633762642 /nfs/dbraw/zinc/76/26/42/633762642.db2.gz DUIKPGQWPMBYFM-ZDUSSCGKSA-N 0 3 313.426 2.466 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2)C[C@@H]1C ZINC000947921992 633777184 /nfs/dbraw/zinc/77/71/84/633777184.db2.gz SUMVOGQQUPWFBD-GOEBONIOSA-N 0 3 302.422 2.070 20 30 DEEDHN CCCSCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000125502322 633820583 /nfs/dbraw/zinc/82/05/83/633820583.db2.gz VWPJAZQHDAMPND-CYBMUJFWSA-N 0 3 306.387 2.486 20 30 DEEDHN CC[C@@H](F)CN1CCC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000997534024 633830574 /nfs/dbraw/zinc/83/05/74/633830574.db2.gz OIVPSCUGUPKIPZ-SWLSCSKDSA-N 0 3 320.412 2.465 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)n(CC)c2C)C1 ZINC001027481189 633864865 /nfs/dbraw/zinc/86/48/65/633864865.db2.gz ILYNSHUSKANGDD-MRXNPFEDSA-N 0 3 301.434 2.294 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC001027482684 633866963 /nfs/dbraw/zinc/86/69/63/633866963.db2.gz GHDHQSZMLUOGSI-SFHVURJKSA-N 0 3 322.412 2.042 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc[nH]c2CC)CC1 ZINC000997565633 633877037 /nfs/dbraw/zinc/87/70/37/633877037.db2.gz XVZLVTFLUZPGTG-AWEZNQCLSA-N 0 3 301.434 2.431 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nc(C)sc2C)CC1 ZINC000997635358 633905765 /nfs/dbraw/zinc/90/57/65/633905765.db2.gz DEKNQULJUKDMLQ-NSHDSACASA-N 0 3 305.447 2.223 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000997634503 633906006 /nfs/dbraw/zinc/90/60/06/633906006.db2.gz SUJMXZNSODEYEZ-AWEZNQCLSA-N 0 3 324.428 2.417 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc3cnccc3o2)CC1 ZINC000997659666 633914229 /nfs/dbraw/zinc/91/42/29/633914229.db2.gz PIRSZFWFALTTSN-ZDUSSCGKSA-N 0 3 311.385 2.291 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cc3c[nH]nc32)C(C)(C)C1 ZINC000977326779 633929507 /nfs/dbraw/zinc/92/95/07/633929507.db2.gz KZBGPJYAUYZYRS-INIZCTEOSA-N 0 3 324.428 2.335 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000997728009 633950702 /nfs/dbraw/zinc/95/07/02/633950702.db2.gz FMHYOJPKQDNWTE-SCLBCKFNSA-N 0 3 314.404 2.315 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)C2CCC(OC)CC2)CC1 ZINC000997734184 633956355 /nfs/dbraw/zinc/95/63/55/633956355.db2.gz FSJPUUMPSCSRRQ-OOHWJJMZSA-N 0 3 306.450 2.042 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)C(C)(C)C1 ZINC000977414652 633975022 /nfs/dbraw/zinc/97/50/22/633975022.db2.gz NGJXMPNEBNXGIF-CQSZACIVSA-N 0 3 302.422 2.303 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cnn(CCC)c2C)CC1 ZINC000997809972 633993617 /nfs/dbraw/zinc/99/36/17/633993617.db2.gz SESKDGOIZSKMQV-AWEZNQCLSA-N 0 3 316.449 2.065 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCCOC2)CC1 ZINC000997953482 634076808 /nfs/dbraw/zinc/07/68/08/634076808.db2.gz HCLAMJBZROLSCT-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC(CNCc2cnc(C)cn2)CC1 ZINC000997963611 634082067 /nfs/dbraw/zinc/08/20/67/634082067.db2.gz XGCVPZMKXNCECV-UHFFFAOYSA-N 0 3 316.449 2.325 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C(C)(C)C1 ZINC000977656469 634083521 /nfs/dbraw/zinc/08/35/21/634083521.db2.gz QLJXCGJMBMHYDD-HOTGVXAUSA-N 0 3 307.482 2.264 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2nccn2CC)CC1 ZINC000997991608 634100008 /nfs/dbraw/zinc/10/00/08/634100008.db2.gz NDWLEOHHULXRAN-MRXNPFEDSA-N 0 3 316.449 2.243 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccnn2CC)CC1 ZINC000997993691 634100218 /nfs/dbraw/zinc/10/02/18/634100218.db2.gz QQEWKVIGOPWYPX-INIZCTEOSA-N 0 3 316.449 2.243 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000998073721 634130373 /nfs/dbraw/zinc/13/03/73/634130373.db2.gz VMDACFPPDBRNEJ-XWTMOSNGSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000947329255 634142031 /nfs/dbraw/zinc/14/20/31/634142031.db2.gz WESAJIPVQSEJSL-BBRMVZONSA-N 0 3 320.383 2.500 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)nc(C)n2)CC1 ZINC000998149180 634154896 /nfs/dbraw/zinc/15/48/96/634154896.db2.gz GXAIOELPERYENY-MRXNPFEDSA-N 0 3 314.433 2.043 20 30 DEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCCN(CC#CC)CC2)cn1 ZINC000998177309 634161026 /nfs/dbraw/zinc/16/10/26/634161026.db2.gz SFXKOQZCFGWUJD-LJQANCHMSA-N 0 3 323.440 2.403 20 30 DEEDHN C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000977852154 634161051 /nfs/dbraw/zinc/16/10/51/634161051.db2.gz YPARZPKIEKGQEQ-PHZGNYQRSA-N 0 3 300.402 2.266 20 30 DEEDHN C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000977852154 634161054 /nfs/dbraw/zinc/16/10/54/634161054.db2.gz YPARZPKIEKGQEQ-PHZGNYQRSA-N 0 3 300.402 2.266 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1C(F)(F)F ZINC000998214343 634169797 /nfs/dbraw/zinc/16/97/97/634169797.db2.gz FIPVARMAAYMXLC-IUCAKERBSA-N 0 3 300.271 2.197 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cc(C)on2)CC[C@H]1C(F)(F)F ZINC000998230448 634177875 /nfs/dbraw/zinc/17/78/75/634177875.db2.gz ZZLGYPHKLFPERF-PWSUYJOCSA-N 0 3 317.311 2.152 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2nocc2C)CC[C@@H]1C(F)(F)F ZINC000998310134 634205503 /nfs/dbraw/zinc/20/55/03/634205503.db2.gz GCACMLYREADMMD-QWRGUYRKSA-N 0 3 317.311 2.152 20 30 DEEDHN N#Cc1cc(CN[C@@H]2CCCN(C(=O)C(F)F)C2)ccc1F ZINC000998328024 634214097 /nfs/dbraw/zinc/21/40/97/634214097.db2.gz KXUPLTVTVWAHCM-GFCCVEGCSA-N 0 3 311.307 2.043 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001027593185 634233812 /nfs/dbraw/zinc/23/38/12/634233812.db2.gz GRTQLVVZUAQISN-CYBMUJFWSA-N 0 3 324.346 2.202 20 30 DEEDHN C=C(Br)CNC1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC000998446250 634273589 /nfs/dbraw/zinc/27/35/89/634273589.db2.gz QVGXLATVLZPEDP-UHFFFAOYSA-N 0 3 312.211 2.116 20 30 DEEDHN CSCC(=O)N1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000998469319 634283523 /nfs/dbraw/zinc/28/35/23/634283523.db2.gz JQXSSIQORICCNM-CQSZACIVSA-N 0 3 321.421 2.141 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001027614994 634292523 /nfs/dbraw/zinc/29/25/23/634292523.db2.gz KHXXACXHSJAGET-RHSMWYFYSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(F)c2OCC)C1 ZINC001027629463 634336589 /nfs/dbraw/zinc/33/65/89/634336589.db2.gz FVVWHIUIRVKOJU-CQSZACIVSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(C)cc3Cl)[C@@H]2C1 ZINC000978589024 634371576 /nfs/dbraw/zinc/37/15/76/634371576.db2.gz YRSXFZGAMHYNEX-PHZGNYQRSA-N 0 3 316.832 2.498 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001027902319 634917400 /nfs/dbraw/zinc/91/74/00/634917400.db2.gz NHYASXQKTKDPQZ-CYBMUJFWSA-N 0 3 304.365 2.052 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccccc2OCC)C1 ZINC000980313360 634950000 /nfs/dbraw/zinc/95/00/00/634950000.db2.gz RKBDEUUJDLNMJM-OAHLLOKOSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC000980334416 634958387 /nfs/dbraw/zinc/95/83/87/634958387.db2.gz WFPJODMDVLBNPS-JKSUJKDBSA-N 0 3 302.418 2.481 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)COc2c(C)cccc2C)C1 ZINC000980339661 634960876 /nfs/dbraw/zinc/96/08/76/634960876.db2.gz RDYSJGRFWVESHZ-INIZCTEOSA-N 0 3 302.418 2.401 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001027921519 634969155 /nfs/dbraw/zinc/96/91/55/634969155.db2.gz RANSGRRALIWAFM-INIZCTEOSA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)COc2ccc(C)cc2C)C1 ZINC000980370005 634972460 /nfs/dbraw/zinc/97/24/60/634972460.db2.gz OMYMICXFFOPQOC-MRXNPFEDSA-N 0 3 302.418 2.401 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)OCCCO2 ZINC001027933457 635000552 /nfs/dbraw/zinc/00/05/52/635000552.db2.gz WSINEUGGVUDHMM-OAHLLOKOSA-N 0 3 316.401 2.228 20 30 DEEDHN C[C@@H]1C[C@H](CNCc2ccccc2C#N)CN1C(=O)C#CC1CC1 ZINC000980574280 635048150 /nfs/dbraw/zinc/04/81/50/635048150.db2.gz HHIIVRJSWDIJNJ-NVXWUHKLSA-N 0 3 321.424 2.298 20 30 DEEDHN Cc1nc(C)c(CNC[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)o1 ZINC000980575241 635048839 /nfs/dbraw/zinc/04/88/39/635048839.db2.gz MVIDGXMQQJSOMY-WBMJQRKESA-N 0 3 315.417 2.031 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3nccs3)CC2)CC1 ZINC001000302807 635135567 /nfs/dbraw/zinc/13/55/67/635135567.db2.gz AJJDQLDUWIMTBO-UHFFFAOYSA-N 0 3 303.431 2.141 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3oc(CC)nc3C)CC2)CC1 ZINC001000308097 635137082 /nfs/dbraw/zinc/13/70/82/635137082.db2.gz VVMHWAOUKWFCJB-UHFFFAOYSA-N 0 3 315.417 2.153 20 30 DEEDHN COc1cc(OC)cc([C@H](O)CNCc2csc(C#N)c2)c1 ZINC000921752999 635138058 /nfs/dbraw/zinc/13/80/58/635138058.db2.gz SLZASIYVBIQUCS-MRXNPFEDSA-N 0 3 318.398 2.460 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cnn(C(C)C)c3)CC2)CC1 ZINC001000314329 635143173 /nfs/dbraw/zinc/14/31/73/635143173.db2.gz KRKZKFSRLNDIER-UHFFFAOYSA-N 0 3 314.433 2.072 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001028018324 635259144 /nfs/dbraw/zinc/25/91/44/635259144.db2.gz RAJCSMAOHYHQSK-HIFRSBDPSA-N 0 3 318.392 2.458 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001000692022 635267797 /nfs/dbraw/zinc/26/77/97/635267797.db2.gz CDTJOZRWSLISEX-GFCCVEGCSA-N 0 3 310.829 2.020 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC001000747613 635295269 /nfs/dbraw/zinc/29/52/69/635295269.db2.gz MNBZHMNBHJKLAQ-UHFFFAOYSA-N 0 3 302.422 2.186 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cncc(OC(C)C)c2)CC1 ZINC001001037882 635393248 /nfs/dbraw/zinc/39/32/48/635393248.db2.gz UVLOVFHBKNTHBV-UHFFFAOYSA-N 0 3 315.417 2.417 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001028062177 635399125 /nfs/dbraw/zinc/39/91/25/635399125.db2.gz MPLLBGMGJOXIGE-ZDUSSCGKSA-N 0 3 301.415 2.447 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(CC=C(C)C)CC1 ZINC001001170483 635424571 /nfs/dbraw/zinc/42/45/71/635424571.db2.gz AJEYXTMCTONXGG-SJORKVTESA-N 0 3 304.434 2.292 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@H](NCc3cnns3)C2)C1 ZINC000981321914 635434674 /nfs/dbraw/zinc/43/46/74/635434674.db2.gz CPVJSPHUHDCOKQ-STQMWFEESA-N 0 3 320.462 2.411 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccc(-n3cccc3)nc2)CC1 ZINC001001271345 635446284 /nfs/dbraw/zinc/44/62/84/635446284.db2.gz ODAXQVAAWJZMKX-UHFFFAOYSA-N 0 3 322.412 2.420 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)CC1 ZINC001001328406 635464711 /nfs/dbraw/zinc/46/47/11/635464711.db2.gz RZVSIZOENBVQNX-CYBMUJFWSA-N 0 3 314.433 2.082 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cc3c(s2)CCOC3)CC1 ZINC001001382268 635483809 /nfs/dbraw/zinc/48/38/09/635483809.db2.gz UOANHAHYSUSFDE-UHFFFAOYSA-N 0 3 318.442 2.369 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cnn(C3CCC3)c2)CC1 ZINC001001403451 635488257 /nfs/dbraw/zinc/48/82/57/635488257.db2.gz XBOMBSJQJDQOPC-UHFFFAOYSA-N 0 3 314.433 2.073 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001001538804 635518822 /nfs/dbraw/zinc/51/88/22/635518822.db2.gz VLHZFZYTEJPGPQ-JKSUJKDBSA-N 0 3 302.443 2.313 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(OC)c(F)c2)CC1 ZINC000981573249 635530434 /nfs/dbraw/zinc/53/04/34/635530434.db2.gz FXFKELVAOYKIFT-UHFFFAOYSA-N 0 3 320.408 2.487 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2nncc3ccccc32)CC1 ZINC001001617953 635533269 /nfs/dbraw/zinc/53/32/69/635533269.db2.gz RZUKFYSSSVDEMI-UHFFFAOYSA-N 0 3 322.412 2.095 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1occc1CN(C)C ZINC001028105698 635550316 /nfs/dbraw/zinc/55/03/16/635550316.db2.gz YTGNDVOHVNJTRQ-OAHLLOKOSA-N 0 3 305.422 2.112 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028106333 635552295 /nfs/dbraw/zinc/55/22/95/635552295.db2.gz YDULLMHSQZIWNG-NSHDSACASA-N 0 3 310.319 2.321 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(C)c(F)c2F)CC1 ZINC001001861662 635564236 /nfs/dbraw/zinc/56/42/36/635564236.db2.gz YVDRVONEMUMKGR-UHFFFAOYSA-N 0 3 306.356 2.348 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cc(CC)c(CC)o2)CC1 ZINC001002052374 635614473 /nfs/dbraw/zinc/61/44/73/635614473.db2.gz IUBIPFFHIXYWMS-UHFFFAOYSA-N 0 3 302.418 2.479 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3c(Cl)cnn3CC)C2)C1 ZINC000981791246 635651269 /nfs/dbraw/zinc/65/12/69/635651269.db2.gz JZFCQCWSNOJSOS-UHFFFAOYSA-N 0 3 322.840 2.280 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCO[C@H]3C(C)C)C2)C1 ZINC000981807121 635664375 /nfs/dbraw/zinc/66/43/75/635664375.db2.gz WEKZMBBDPDKJPP-HOTGVXAUSA-N 0 3 306.450 2.158 20 30 DEEDHN C#CCN(C(=O)N[C@@H](C)c1cncc(F)c1)C1CCN(C)CC1 ZINC000921890453 635672943 /nfs/dbraw/zinc/67/29/43/635672943.db2.gz NSZLUFKVIBOZCK-ZDUSSCGKSA-N 0 3 318.396 2.021 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000981841935 635688191 /nfs/dbraw/zinc/68/81/91/635688191.db2.gz WDEZYODLTFMMDF-UHFFFAOYSA-N 0 3 306.356 2.065 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C[C@H]3CC[C@@H](C4CC4)O3)C2)C1 ZINC000981908600 635724988 /nfs/dbraw/zinc/72/49/88/635724988.db2.gz LELFZBJIAZUZAC-SJORKVTESA-N 0 3 318.461 2.445 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3ccn(C(C)C)n3)C2)C1 ZINC000981905443 635727125 /nfs/dbraw/zinc/72/71/25/635727125.db2.gz ULOXJKBMDQRJKY-UHFFFAOYSA-N 0 3 316.449 2.117 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@@H](OC)C3)C2)C1 ZINC000981971524 635780348 /nfs/dbraw/zinc/78/03/48/635780348.db2.gz DMJCOCAHGSRQCI-JKSUJKDBSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccncc3Cl)C2)C1 ZINC000982034431 635833317 /nfs/dbraw/zinc/83/33/17/635833317.db2.gz XINOTCWVWGTYST-UHFFFAOYSA-N 0 3 305.809 2.459 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2csc3cncn32)CC1 ZINC000982062815 635851080 /nfs/dbraw/zinc/85/10/80/635851080.db2.gz UAOGTLQOJQLUDA-UHFFFAOYSA-N 0 3 304.419 2.120 20 30 DEEDHN C#CCCN1CCCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000982065403 635853224 /nfs/dbraw/zinc/85/32/24/635853224.db2.gz YQTXYDOJHVEFLU-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC000982094466 635864938 /nfs/dbraw/zinc/86/49/38/635864938.db2.gz YALUHACCJKJFQM-UHFFFAOYSA-N 0 3 314.433 2.468 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3oc(CC)nc3C)C2)C1 ZINC000982102896 635868360 /nfs/dbraw/zinc/86/83/60/635868360.db2.gz COTHXLUHCMDBSU-UHFFFAOYSA-N 0 3 303.406 2.269 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccccc3OC)C2)C1 ZINC000982126156 635881938 /nfs/dbraw/zinc/88/19/38/635881938.db2.gz KNGDJIGVDKSEQA-UHFFFAOYSA-N 0 3 300.402 2.419 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)COc3cccc(F)c3)C2)C1 ZINC000982147171 635888574 /nfs/dbraw/zinc/88/85/74/635888574.db2.gz YDWROFZCOQHCHE-UHFFFAOYSA-N 0 3 318.392 2.315 20 30 DEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cn4ccccc4n3)C2)C1 ZINC000982137363 635889529 /nfs/dbraw/zinc/88/95/29/635889529.db2.gz BVUSHNJCRIZBHU-UHFFFAOYSA-N 0 3 324.428 2.448 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3OC)C2)C1 ZINC000982169117 635894763 /nfs/dbraw/zinc/89/47/63/635894763.db2.gz OZANEVKAWPCUOS-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccccc2COC)CC1 ZINC000982172862 635899303 /nfs/dbraw/zinc/89/93/03/635899303.db2.gz QSONOMKLXKHXKU-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001028232807 635931810 /nfs/dbraw/zinc/93/18/10/635931810.db2.gz QQIOWWTUNALPHQ-HNNXBMFYSA-N 0 3 315.417 2.006 20 30 DEEDHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCCN1CCCF ZINC001028251118 635959558 /nfs/dbraw/zinc/95/95/58/635959558.db2.gz SHVNFSUSMUWUEB-AWEZNQCLSA-N 0 3 321.396 2.200 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccnc(OC)c3)C[C@]2(C)C1 ZINC000982332440 635978004 /nfs/dbraw/zinc/97/80/04/635978004.db2.gz JAIFNGGQMYMPJK-HDICACEKSA-N 0 3 315.417 2.060 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)C(C)(F)F)CCO2 ZINC000949191681 635988850 /nfs/dbraw/zinc/98/88/50/635988850.db2.gz QTFFUCYUHBNKQI-ZDUSSCGKSA-N 0 3 316.392 2.157 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cn(C(C)C)cn3)C[C@]2(C)C1 ZINC000982407245 636012608 /nfs/dbraw/zinc/01/26/08/636012608.db2.gz KNAUNPLODOQZFR-HDICACEKSA-N 0 3 316.449 2.434 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cccc(N3CC=CC3)c2)CC1 ZINC001003713010 636029508 /nfs/dbraw/zinc/02/95/08/636029508.db2.gz ZBCFEIHXJZFDHP-UHFFFAOYSA-N 0 3 311.429 2.443 20 30 DEEDHN C=CCCCNC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000922251402 636042595 /nfs/dbraw/zinc/04/25/95/636042595.db2.gz RVLCKEJWIFATBA-OAHLLOKOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001028305007 636120847 /nfs/dbraw/zinc/12/08/47/636120847.db2.gz FGOZHVHZYQNDLH-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CC[C@H](F)C3)C[C@]2(C)C1 ZINC000982486247 636135667 /nfs/dbraw/zinc/13/56/67/636135667.db2.gz OIVIXGAJYFBSML-ATLSCFEFSA-N 0 3 306.425 2.318 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C[C@H]3CC[C@@H](C)O3)C[C@]2(C)C1 ZINC000982513158 636209443 /nfs/dbraw/zinc/20/94/43/636209443.db2.gz PTGKWMOWKRRZKX-RWQQGDIJSA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cc(C)[nH]c3C)C[C@]2(C)C1 ZINC000982598664 636302033 /nfs/dbraw/zinc/30/20/33/636302033.db2.gz JSQFIPKDICUGKZ-KDURUIRLSA-N 0 3 313.445 2.439 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC#N ZINC000426457601 636329608 /nfs/dbraw/zinc/32/96/08/636329608.db2.gz 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307.781 2.435 20 30 DEEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896286867 638451049 /nfs/dbraw/zinc/45/10/49/638451049.db2.gz AOBJBOSBMFKCOJ-CVEARBPZSA-N 0 3 323.481 2.219 20 30 DEEDHN N#CCC(=O)Nc1ccc(C(=O)OCCN2CCCCC2)cc1 ZINC000747682555 638463604 /nfs/dbraw/zinc/46/36/04/638463604.db2.gz MSGDOTSHZCFQMN-UHFFFAOYSA-N 0 3 315.373 2.181 20 30 DEEDHN CN(Cc1ccc(C#N)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000985190620 639140333 /nfs/dbraw/zinc/14/03/33/639140333.db2.gz IARMVZFHLFFOSS-UHFFFAOYSA-N 0 3 303.431 2.453 20 30 DEEDHN CCc1onc(C)c1CN(C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000985331180 639287409 /nfs/dbraw/zinc/28/74/09/639287409.db2.gz DAYDMTMXFZCJDH-GFCCVEGCSA-N 0 3 318.421 2.128 20 30 DEEDHN CC[C@H](C#N)OC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000753421581 639293609 /nfs/dbraw/zinc/29/36/09/639293609.db2.gz DOQCSURXUBDHJG-MNOVXSKESA-N 0 3 308.284 2.163 20 30 DEEDHN CSCC(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029637533 639372186 /nfs/dbraw/zinc/37/21/86/639372186.db2.gz 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CCOC(=O)[C@@H]1CC[C@H](NCc2nc(C#N)cs2)C[C@H]1C ZINC000897628514 640879814 /nfs/dbraw/zinc/87/98/14/640879814.db2.gz IVCKPGMXEZQUNX-NTZNESFSSA-N 0 3 307.419 2.472 20 30 DEEDHN C#CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)S2)C1CCN(C)CC1 ZINC000897680468 640901757 /nfs/dbraw/zinc/90/17/57/640901757.db2.gz KBLVKJKHBDVOSP-VHRNVKJDSA-N 0 3 321.490 2.152 20 30 DEEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)nn3)cc2)CC1 ZINC000767188562 640953193 /nfs/dbraw/zinc/95/31/93/640953193.db2.gz AODQHOZHZQJJRS-UHFFFAOYSA-N 0 3 308.389 2.234 20 30 DEEDHN C=CCOc1ccc(CN[C@@H]2COCC[C@H]2OC)cc1OC ZINC000897891761 640965458 /nfs/dbraw/zinc/96/54/58/640965458.db2.gz OXPVHCDZJZNRED-HUUCEWRRSA-N 0 3 307.390 2.154 20 30 DEEDHN COC(=O)c1cc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000897987211 640996049 /nfs/dbraw/zinc/99/60/49/640996049.db2.gz OPVAXLHKSDXYTN-AVGNSLFASA-N 0 3 302.378 2.177 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000989486415 641118010 /nfs/dbraw/zinc/11/80/10/641118010.db2.gz 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641258669 /nfs/dbraw/zinc/25/86/69/641258669.db2.gz UCLKULXPECHEIB-DOTOQJQBSA-N 0 3 313.445 2.359 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H]3CCCCO3)CCC[C@@H]12 ZINC000990189570 641387456 /nfs/dbraw/zinc/38/74/56/641387456.db2.gz AJOVYQUGYFRUTO-JFIYKMOQSA-N 0 3 304.434 2.082 20 30 DEEDHN CN(CCC(=O)OC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000842151585 650660871 /nfs/dbraw/zinc/66/08/71/650660871.db2.gz DJTCCKOUUABZET-HNNXBMFYSA-N 0 3 304.390 2.255 20 30 DEEDHN Cc1nc(C(C)C)oc1CNC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000990262134 641420251 /nfs/dbraw/zinc/42/02/51/641420251.db2.gz MFTLSUFFTYOFBR-GFCCVEGCSA-N 0 3 318.421 2.347 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCc4n[nH]cc43)CCC[C@@H]12 ZINC000990680424 641598230 /nfs/dbraw/zinc/59/82/30/641598230.db2.gz CMRSJAIGHVGGEP-FDQGKXFDSA-N 0 3 314.433 2.129 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCc4c[nH]nc43)CCC[C@H]12 ZINC000990682198 641598968 /nfs/dbraw/zinc/59/89/68/641598968.db2.gz GUIHHGURXHUZCN-RLFYNMQTSA-N 0 3 314.433 2.129 20 30 DEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105013 641936337 /nfs/dbraw/zinc/93/63/37/641936337.db2.gz UWNKOAFVGVTHDA-YOEHRIQHSA-N 0 3 316.449 2.018 20 30 DEEDHN C#CCNC(=O)CN[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000776493741 642178299 /nfs/dbraw/zinc/17/82/99/642178299.db2.gz NIFCDJRTSFECCL-DLBZAZTESA-N 0 3 300.402 2.024 20 30 DEEDHN Cc1cc(NC(=O)[C@H]2CC[C@@H]3CCCCN23)n(CCC#N)n1 ZINC000900327668 642331694 /nfs/dbraw/zinc/33/16/94/642331694.db2.gz WHUJAQIXULUECD-UONOGXRCSA-N 0 3 301.394 2.061 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3Cc4ccccc4O3)CCC[C@H]12 ZINC000990871222 642561975 /nfs/dbraw/zinc/56/19/75/642561975.db2.gz OKNPBEPTQVDWFH-XKGZKEIXSA-N 0 3 324.424 2.127 20 30 DEEDHN COC(=O)CCN1CCC(=NNC2CCC(F)(F)CC2)CC1 ZINC000901341299 642629902 /nfs/dbraw/zinc/62/99/02/642629902.db2.gz ADGGOQFXVPDBKU-UHFFFAOYSA-N 0 3 317.380 2.169 20 30 DEEDHN C(=NOC[C@@H]1C[C@]12CCOC2)c1ccc(N2CCOCC2)cc1 ZINC000902149488 642933592 /nfs/dbraw/zinc/93/35/92/642933592.db2.gz WESUYUJULVCSPT-WMZOPIPTSA-N 0 3 316.401 2.300 20 30 DEEDHN COc1ccc([C@@H](CO)CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000903016786 643217418 /nfs/dbraw/zinc/21/74/18/643217418.db2.gz HSDXMWOGMGDGNX-CZUORRHYSA-N 0 3 311.385 2.389 20 30 DEEDHN C#CCCCCCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000785810339 643283015 /nfs/dbraw/zinc/28/30/15/643283015.db2.gz ITHDUHKJFJIGAR-INIZCTEOSA-N 0 3 306.450 2.282 20 30 DEEDHN CC[C@H](NCCS(=O)(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000903291952 643307820 /nfs/dbraw/zinc/30/78/20/643307820.db2.gz OJKGHVDCLMXOAY-INIZCTEOSA-N 0 3 321.446 2.025 20 30 DEEDHN CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(C#N)cc1 ZINC000903398498 643343891 /nfs/dbraw/zinc/34/38/91/643343891.db2.gz SJDHMKICNKWCCW-HOTGVXAUSA-N 0 3 323.400 2.373 20 30 DEEDHN CCOCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786531622 643380107 /nfs/dbraw/zinc/38/01/07/643380107.db2.gz RRCFYJQRCGMUQN-AWEZNQCLSA-N 0 3 322.792 2.482 20 30 DEEDHN C=CCCOCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786537344 643381638 /nfs/dbraw/zinc/38/16/38/643381638.db2.gz INORLFPXQVOTAB-CQSZACIVSA-N 0 3 320.776 2.258 20 30 DEEDHN N#CC(C(=O)Cc1ccco1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569678 643386274 /nfs/dbraw/zinc/38/62/74/643386274.db2.gz LMTLYIMXUKCUKX-GFCCVEGCSA-N 0 3 318.279 2.126 20 30 DEEDHN C=CCN1CCC(NC(=O)C23CC(C(F)(F)F)(C2)C3)CC1 ZINC000786908561 643427003 /nfs/dbraw/zinc/42/70/03/643427003.db2.gz DZCOHKLFEWQLJR-UHFFFAOYSA-N 0 3 302.340 2.486 20 30 DEEDHN N#Cc1cnc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000903940525 643521952 /nfs/dbraw/zinc/52/19/52/643521952.db2.gz GJJWZQUPDBRXJS-ZDUSSCGKSA-N 0 3 312.398 2.475 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COCc2ccccn2)c1 ZINC000805854436 643548065 /nfs/dbraw/zinc/54/80/65/643548065.db2.gz VRQQBPKRLMDILW-INIZCTEOSA-N 0 3 323.352 2.254 20 30 DEEDHN C#CCOCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805898075 643752010 /nfs/dbraw/zinc/75/20/10/643752010.db2.gz YBNCRFIWXLRCOV-UHFFFAOYSA-N 0 3 301.386 2.092 20 30 DEEDHN CSc1ccc(CNC[C@H](O)CC2(O)CCCC2)cc1C#N ZINC000905465894 643923154 /nfs/dbraw/zinc/92/31/54/643923154.db2.gz VXLORSVKYBMYTQ-OAHLLOKOSA-N 0 3 320.458 2.426 20 30 DEEDHN Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1C#N ZINC000905581027 643964913 /nfs/dbraw/zinc/96/49/13/643964913.db2.gz RXILSSWYRKCMBJ-GOSISDBHSA-N 0 3 321.380 2.268 20 30 DEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC)n2)cc1 ZINC000791771544 644027599 /nfs/dbraw/zinc/02/75/99/644027599.db2.gz OCKJMVQJIMEOGB-CYBMUJFWSA-N 0 3 324.340 2.009 20 30 DEEDHN C=CCCCN(CC)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000906751767 644336825 /nfs/dbraw/zinc/33/68/25/644336825.db2.gz DAXQHRKNOKJDMY-UHFFFAOYSA-N 0 3 301.390 2.043 20 30 DEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796631766 644768308 /nfs/dbraw/zinc/76/83/08/644768308.db2.gz ITJSXJGRARNCMM-STQMWFEESA-N 0 3 306.312 2.447 20 30 DEEDHN CO[C@@H](C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000796639733 644768881 /nfs/dbraw/zinc/76/88/81/644768881.db2.gz FIMXYBHCEWDOIK-RYUDHWBXSA-N 0 3 317.414 2.439 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000908436876 644859794 /nfs/dbraw/zinc/85/97/94/644859794.db2.gz YSPZXBDOAVDLOR-SFHVURJKSA-N 0 3 313.445 2.427 20 30 DEEDHN C#Cc1cncc(C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000798174309 644978177 /nfs/dbraw/zinc/97/81/77/644978177.db2.gz BCANEBPWQJPSHP-UHFFFAOYSA-N 0 3 313.426 2.328 20 30 DEEDHN C#C[C@H](N[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000843403564 650967241 /nfs/dbraw/zinc/96/72/41/650967241.db2.gz YSOPSQSOCFQSFV-LVQVYYBASA-N 0 3 322.449 2.402 20 30 DEEDHN C#C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000798544989 645035008 /nfs/dbraw/zinc/03/50/08/645035008.db2.gz NGPJTMRPYUBVLQ-SZMVWBNQSA-N 0 3 313.445 2.464 20 30 DEEDHN C(CNN=C1CCCC[C@@H]1N1CCCCC1)CN1CCOCC1 ZINC000799487346 645179327 /nfs/dbraw/zinc/17/93/27/645179327.db2.gz KYJDNUGHGITLQS-SFHVURJKSA-N 0 3 322.497 2.083 20 30 DEEDHN CCN1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)[C@H](C)C1 ZINC000910286448 645389899 /nfs/dbraw/zinc/38/98/99/645389899.db2.gz ITUHELPBBQLDHM-HUUCEWRRSA-N 0 3 315.417 2.268 20 30 DEEDHN CCN1CCCN(C(=O)c2ccc(C=NOC)cc2)[C@@H](C)C1 ZINC000910296828 645409165 /nfs/dbraw/zinc/40/91/65/645409165.db2.gz YSWDEKVVAUUQPJ-AWEZNQCLSA-N 0 3 303.406 2.223 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000801875061 645456538 /nfs/dbraw/zinc/45/65/38/645456538.db2.gz NGTSLQBJMZSIDF-CQSZACIVSA-N 0 3 322.449 2.217 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1sccc1C ZINC000129377906 645886186 /nfs/dbraw/zinc/88/61/86/645886186.db2.gz DYOSFONQSJLTLO-ZDUSSCGKSA-N 0 3 322.430 2.241 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000912045250 645926558 /nfs/dbraw/zinc/92/65/58/645926558.db2.gz AMUKPNUISUUZHO-AWEZNQCLSA-N 0 3 304.390 2.100 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000807261694 645932234 /nfs/dbraw/zinc/93/22/34/645932234.db2.gz HEBDPIIHMQNPDJ-KBXCAEBGSA-N 0 3 307.397 2.484 20 30 DEEDHN C#CCOc1ccc(C(=O)N(CCC)[C@H]2CCN(C)C2)cc1 ZINC000843987374 651058786 /nfs/dbraw/zinc/05/87/86/651058786.db2.gz DTQCUDGBSILMJR-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN COc1ccc(C(C)N=Nc2nc[n-]n2)cc1C[NH+]1CCCC1 ZINC000807997412 646017127 /nfs/dbraw/zinc/01/71/27/646017127.db2.gz LRKNQGGJKIUEPS-UHFFFAOYSA-N 0 3 314.393 2.245 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000912402093 646056503 /nfs/dbraw/zinc/05/65/03/646056503.db2.gz WYKLZPWYJMMFDP-JTQLQIEISA-N 0 3 323.780 2.293 20 30 DEEDHN CN(CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)C1CCC1 ZINC000912927200 646220486 /nfs/dbraw/zinc/22/04/86/646220486.db2.gz WWCPCAWIYFJLDX-UHFFFAOYSA-N 0 3 312.417 2.144 20 30 DEEDHN C#Cc1ccc(CNCc2cccc(OCC(=O)NCC)c2)cc1 ZINC000809608597 646246248 /nfs/dbraw/zinc/24/62/48/646246248.db2.gz YDHODMPFHZCWTD-UHFFFAOYSA-N 0 3 322.408 2.473 20 30 DEEDHN C#C[C@@H](C)NCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000809683326 646263248 /nfs/dbraw/zinc/26/32/48/646263248.db2.gz ZAHQFMFHDFXOPU-KGLIPLIRSA-N 0 3 318.417 2.052 20 30 DEEDHN Cc1ccc(OCCC(=O)C(C#N)C(=O)NC2CC2)c(C)c1 ZINC000129532436 646376174 /nfs/dbraw/zinc/37/61/74/646376174.db2.gz IOIPYSZSNHUCEP-CQSZACIVSA-N 0 3 300.358 2.060 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)C1(CCF)CC1 ZINC000810708723 646409177 /nfs/dbraw/zinc/40/91/77/646409177.db2.gz XCXYVEVGQASABL-GFCCVEGCSA-N 0 3 324.302 2.430 20 30 DEEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)C1(CCF)CC1 ZINC000810708724 646409478 /nfs/dbraw/zinc/40/94/78/646409478.db2.gz XCXYVEVGQASABL-LBPRGKRZSA-N 0 3 324.302 2.430 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccn4cncc4c3)CCC[C@@H]12 ZINC000991621222 646548350 /nfs/dbraw/zinc/54/83/50/646548350.db2.gz HJCFKMLALZHUHP-IEBWSBKVSA-N 0 3 322.412 2.084 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccnc(C3CC3)n2)C[C@H]1C ZINC000947768175 646590683 /nfs/dbraw/zinc/59/06/83/646590683.db2.gz VJMKYXWKHRCFSO-TZMCWYRMSA-N 0 3 300.406 2.123 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3ccc(COC)o3)CCC[C@H]12 ZINC000991710819 646593868 /nfs/dbraw/zinc/59/38/68/646593868.db2.gz NAZCVGYKGASFDY-WMZOPIPTSA-N 0 3 316.401 2.176 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3nc(C)c(C)nc3C)CCC[C@H]12 ZINC000991748639 646608715 /nfs/dbraw/zinc/60/87/15/646608715.db2.gz LLOJURCZBCZDQW-YJBOKZPZSA-N 0 3 314.433 2.315 20 30 DEEDHN CC#CCN1CCC[C@H](N(C)C(=O)Cc2cccnc2C)CC1 ZINC000948775338 646627067 /nfs/dbraw/zinc/62/70/67/646627067.db2.gz GEXQUCUQVLBHMI-SFHVURJKSA-N 0 3 313.445 2.269 20 30 DEEDHN CON(C)C(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000812779946 646694699 /nfs/dbraw/zinc/69/46/99/646694699.db2.gz MYFBNRNTANAZQS-UHFFFAOYSA-N 0 3 301.390 2.099 20 30 DEEDHN CCCCCCCCCN1CCC(NS(=O)(=O)NC)CC1 ZINC000812840226 646703852 /nfs/dbraw/zinc/70/38/52/646703852.db2.gz DUYIEHPXCCOUIG-UHFFFAOYSA-N 0 3 319.515 2.255 20 30 DEEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(C#N)n2)C1 ZINC000812988750 646718157 /nfs/dbraw/zinc/71/81/57/646718157.db2.gz KNVMHAOXAOQXJV-OAHLLOKOSA-N 0 3 306.369 2.086 20 30 DEEDHN COC(=O)C1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CC1 ZINC000813210888 646747843 /nfs/dbraw/zinc/74/78/43/646747843.db2.gz APWMKLLORCPLFV-SECBINFHSA-N 0 3 312.247 2.230 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(Cl)cnn2CC)C[C@H]1C ZINC000947342009 646766307 /nfs/dbraw/zinc/76/63/07/646766307.db2.gz CWSAIAUSJFNAOV-VXGBXAGGSA-N 0 3 310.829 2.325 20 30 DEEDHN Cc1cccc2c(CCC(=O)C(C#N)C(=O)NC3CC3)c[nH]c21 ZINC000173975189 646785208 /nfs/dbraw/zinc/78/52/08/646785208.db2.gz GHONOVFTERCQMV-OAHLLOKOSA-N 0 3 309.369 2.396 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000813822586 646811216 /nfs/dbraw/zinc/81/12/16/646811216.db2.gz BBDSAGSCKBTBNK-BEFAXECRSA-N 0 3 319.408 2.456 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nc(OC)c3)CCC[C@@H]12 ZINC000992124105 646862328 /nfs/dbraw/zinc/86/23/28/646862328.db2.gz MGICGBALKWOPED-CRAIPNDOSA-N 0 3 315.417 2.311 20 30 DEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cccnc3OC)CCC[C@H]12 ZINC000992155861 646877594 /nfs/dbraw/zinc/87/75/94/646877594.db2.gz UULOFIUZFBNYOU-YJBOKZPZSA-N 0 3 315.417 2.393 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nccc4[nH]ccc43)CCC[C@@H]12 ZINC000992212542 646902698 /nfs/dbraw/zinc/90/26/98/646902698.db2.gz WRJUIYIZFINEST-CRAIPNDOSA-N 0 3 310.401 2.476 20 30 DEEDHN C#CCCN1CC[C@]2(NC(=O)c3cc(C4CC4)no3)CCC[C@@H]12 ZINC000992273512 646923611 /nfs/dbraw/zinc/92/36/11/646923611.db2.gz QYZOCNQKWSPTFX-SJLPKXTDSA-N 0 3 313.401 2.302 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc4cccnn43)CCC[C@H]12 ZINC000992284909 646929675 /nfs/dbraw/zinc/92/96/75/646929675.db2.gz HQBOTCBTKAQOCL-WMZOPIPTSA-N 0 3 310.401 2.247 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)C3Cc4ccccc4C3)CCC[C@H]12 ZINC000992295029 646933058 /nfs/dbraw/zinc/93/30/58/646933058.db2.gz SCBOUKNRKAHGTI-ICSRJNTNSA-N 0 3 308.425 2.148 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc4c(c3)CCO4)CCC[C@H]12 ZINC000992297613 646935303 /nfs/dbraw/zinc/93/53/03/646935303.db2.gz UXNASGKPWGKLBA-AZUAARDMSA-N 0 3 324.424 2.372 20 30 DEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc4c(c3)COC4)CCC[C@@H]12 ZINC000992335837 646950824 /nfs/dbraw/zinc/95/08/24/646950824.db2.gz HPLLDGZTDUFTGZ-QUCCMNQESA-N 0 3 324.424 2.467 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(CC)c3C)CCC[C@@H]12 ZINC000992360089 646958303 /nfs/dbraw/zinc/95/83/03/646958303.db2.gz DZXZRYXEWOKGHQ-WBVHZDCISA-N 0 3 302.422 2.124 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnn4c3CCCC4)CCC[C@@H]12 ZINC000992392734 646967985 /nfs/dbraw/zinc/96/79/85/646967985.db2.gz CKEWKIMUOHEIMQ-SJLPKXTDSA-N 0 3 314.433 2.132 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3ccc4c(c3)CCN4C)CCC[C@H]12 ZINC000992397297 646970348 /nfs/dbraw/zinc/97/03/48/646970348.db2.gz FBAWFLBKVHZKRH-AZUAARDMSA-N 0 3 323.440 2.039 20 30 DEEDHN CC(C)(C)OC(=O)N1CCC2(CCN2CCOCCC#N)CC1 ZINC000815116200 646972765 /nfs/dbraw/zinc/97/27/65/646972765.db2.gz DUYDZAAYUXSHGD-UHFFFAOYSA-N 0 3 323.437 2.392 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3nn(C)c4ccccc43)CCC[C@H]12 ZINC000992442789 647008852 /nfs/dbraw/zinc/00/88/52/647008852.db2.gz UHMLMGPWNIVAKX-QFBILLFUSA-N 0 3 324.428 2.486 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@]12CCC[C@@H]1N(CC#CC)CC2 ZINC000992459934 647031138 /nfs/dbraw/zinc/03/11/38/647031138.db2.gz LJLUDRDEKHTRCN-PZJWPPBQSA-N 0 3 320.436 2.347 20 30 DEEDHN C=CCN(c1ccccc1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913837265 647062190 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C=C(C)CN1CCC[C@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H]1C ZINC000993825726 647751058 /nfs/dbraw/zinc/75/10/58/647751058.db2.gz DWIWMTWATXLQRW-JSGCOSHPSA-N 0 3 324.856 2.161 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H]1C ZINC000993852231 647755981 /nfs/dbraw/zinc/75/59/81/647755981.db2.gz ZARAIOOUQKAQLW-WMLDXEAASA-N 0 3 312.413 2.228 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3cnccc3n2)[C@@H]1C ZINC000993871810 647756984 /nfs/dbraw/zinc/75/69/84/647756984.db2.gz HHUCUQMEURRZTH-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cncc(Cl)c2)[C@@H]1C ZINC000994004635 647776705 /nfs/dbraw/zinc/77/67/05/647776705.db2.gz JRDCDDKQHBGKJA-WFASDCNBSA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(CCC)on2)[C@@H]1C ZINC000994123515 647790130 /nfs/dbraw/zinc/79/01/30/647790130.db2.gz KVGZFSWYMGBSCM-ZFWWWQNUSA-N 0 3 303.406 2.233 20 30 DEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H]1C ZINC000994144761 647794651 /nfs/dbraw/zinc/79/46/51/647794651.db2.gz 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C#CCN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](C)C1 ZINC000942571625 649249683 /nfs/dbraw/zinc/24/96/83/649249683.db2.gz GAGFQOJJSMFQBA-RHSMWYFYSA-N 0 3 301.434 2.451 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000942589335 649256386 /nfs/dbraw/zinc/25/63/86/649256386.db2.gz WTWGQKYPWNNUET-RHSMWYFYSA-N 0 3 300.402 2.077 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000942981113 649309105 /nfs/dbraw/zinc/30/91/05/649309105.db2.gz YFUKRTMVKVHDEA-WBMJQRKESA-N 0 3 322.811 2.481 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000943207680 649350236 /nfs/dbraw/zinc/35/02/36/649350236.db2.gz GZRSUTDGCFTGNM-XJKSGUPXSA-N 0 3 320.383 2.357 20 30 DEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000829773760 649353445 /nfs/dbraw/zinc/35/34/45/649353445.db2.gz JIHPLRSEWSFYFS-HUUCEWRRSA-N 0 3 313.401 2.459 20 30 DEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccc(COC)cc2)C1 ZINC000829789513 649356394 /nfs/dbraw/zinc/35/63/94/649356394.db2.gz 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COc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1C#N ZINC000834475767 649804037 /nfs/dbraw/zinc/80/40/37/649804037.db2.gz CRLXUNARAOELRO-INIZCTEOSA-N 0 3 313.401 2.314 20 30 DEEDHN C=C(CO)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000844034371 651067052 /nfs/dbraw/zinc/06/70/52/651067052.db2.gz BJRBYANURAMPSW-QGZVFWFLSA-N 0 3 302.418 2.046 20 30 DEEDHN CCCCCCCCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844040478 651067965 /nfs/dbraw/zinc/06/79/65/651067965.db2.gz NEBLHZWCZPNGMX-HNNXBMFYSA-N 0 3 311.470 2.315 20 30 DEEDHN C=C[C@H](C)ONC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000845638668 651265080 /nfs/dbraw/zinc/26/50/80/651265080.db2.gz JXAWUCCYJJJDBY-ZDUSSCGKSA-N 0 3 307.394 2.392 20 30 DEEDHN C#C[C@@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000847023262 651369978 /nfs/dbraw/zinc/36/99/78/651369978.db2.gz BUQOGKNQYQBJRA-CYBMUJFWSA-N 0 3 304.346 2.327 20 30 DEEDHN C#C[C@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000847266057 651385404 /nfs/dbraw/zinc/38/54/04/651385404.db2.gz LBIRLTJTSORRHJ-FUHWJXTLSA-N 0 3 313.445 2.214 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCCCOc1ccccc1F ZINC000848396008 651455994 /nfs/dbraw/zinc/45/59/94/651455994.db2.gz HMJKWDBTLKCIEF-AWEZNQCLSA-N 0 3 307.369 2.122 20 30 DEEDHN COc1ccc2c(c1)CCCN2C(=O)[C@H](N)CCCCC#N ZINC000848397037 651456092 /nfs/dbraw/zinc/45/60/92/651456092.db2.gz YOCYMEJJCQZESW-OAHLLOKOSA-N 0 3 301.390 2.386 20 30 DEEDHN c1cn(-c2ccc(N=NC3CCCN4CCCC[C@H]34)nn2)cn1 ZINC000848409671 651457057 /nfs/dbraw/zinc/45/70/57/651457057.db2.gz ZVVUIPKTSSVAMD-CQSZACIVSA-N 0 3 311.393 2.079 20 30 DEEDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CCCCC#N ZINC000848413472 651457204 /nfs/dbraw/zinc/45/72/04/651457204.db2.gz FWXGAOQRUZRPJV-MRXNPFEDSA-N 0 3 302.422 2.089 20 30 DEEDHN COC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000848427816 651458426 /nfs/dbraw/zinc/45/84/26/651458426.db2.gz WHTOZHANLRFIBH-LBPRGKRZSA-N 0 3 322.340 2.354 20 30 DEEDHN COc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1C#N ZINC000855055474 651618171 /nfs/dbraw/zinc/61/81/71/651618171.db2.gz 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652026116 /nfs/dbraw/zinc/02/61/16/652026116.db2.gz GGVCUGDHSVTTSI-PIGZYNQJSA-N 0 3 315.373 2.411 20 30 DEEDHN C#CCOCCN1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000851798920 652242711 /nfs/dbraw/zinc/24/27/11/652242711.db2.gz USGLLLKRJLLWKN-HUUCEWRRSA-N 0 3 310.438 2.261 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000852100844 652338797 /nfs/dbraw/zinc/33/87/97/652338797.db2.gz KFZTZTRTJAXUAF-LJQANCHMSA-N 0 3 309.413 2.444 20 30 DEEDHN C=C(Cl)CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000852122286 652345962 /nfs/dbraw/zinc/34/59/62/652345962.db2.gz ABRMJMSLECDQMI-UHFFFAOYSA-N 0 3 322.840 2.345 20 30 DEEDHN C#CCOCCN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000852160160 652355126 /nfs/dbraw/zinc/35/51/26/652355126.db2.gz AVOGSPMGIGNGJS-QGZVFWFLSA-N 0 3 309.356 2.360 20 30 DEEDHN C=CC[C@@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1ccncc1 ZINC000853747580 652598267 /nfs/dbraw/zinc/59/82/67/652598267.db2.gz UYOCYEPXISNORS-JKSUJKDBSA-N 0 3 302.422 2.434 20 30 DEEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000854068581 652637532 /nfs/dbraw/zinc/63/75/32/652637532.db2.gz CHNIYBLMLIDPFN-HNNXBMFYSA-N 0 3 323.387 2.450 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cc[nH]c(=O)c2)CCCC1 ZINC001392001277 1156847058 /nfs/dbraw/zinc/84/70/58/1156847058.db2.gz LJRMZFJYSANMEW-UHFFFAOYSA-N 0 3 309.797 2.172 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(Br)c1 ZINC000392832158 685450408 /nfs/dbraw/zinc/45/04/08/685450408.db2.gz GGVRRFQJYHGKEA-UHFFFAOYSA-N 0 3 323.234 2.442 20 30 DEEDHN N#C[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000928227085 693744377 /nfs/dbraw/zinc/74/43/77/693744377.db2.gz XVFOYTWASDUJLZ-WBVHZDCISA-N 0 3 312.417 2.056 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCCO2)c1 ZINC000119973695 684090050 /nfs/dbraw/zinc/09/00/50/684090050.db2.gz CHDJQWYEVJDILY-HUUCEWRRSA-N 0 3 316.357 2.302 20 30 DEEDHN N#CC(C(=O)Cc1ccc(F)cc1F)C(=O)Nc1ccccn1 ZINC000120383238 684095303 /nfs/dbraw/zinc/09/53/03/684095303.db2.gz JUQSWSLUZVQHMX-LBPRGKRZSA-N 0 3 315.279 2.250 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCCO1)C2 ZINC001054091355 693839851 /nfs/dbraw/zinc/83/98/51/693839851.db2.gz QSPONVDEUSEQBO-HKUYNNGSSA-N 0 3 318.461 2.283 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160115417 684327198 /nfs/dbraw/zinc/32/71/98/684327198.db2.gz IDFQLACQRVIFQT-ZBFHGGJFSA-N 0 3 316.401 2.432 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnc(C)s1)C2 ZINC001054099728 693843488 /nfs/dbraw/zinc/84/34/88/693843488.db2.gz NNMSBDLPCJSCJD-MRXNPFEDSA-N 0 3 303.431 2.013 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)nc(C)c1)C2 ZINC001054140031 693859791 /nfs/dbraw/zinc/85/97/91/693859791.db2.gz XZJMQPBXFVLREQ-LJQANCHMSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC(F)(F)C1)C2 ZINC001054142793 693860899 /nfs/dbraw/zinc/86/08/99/693860899.db2.gz JBTSFOUSVVUUON-GDBMZVCRSA-N 0 3 310.388 2.370 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1occc1Cl)C2 ZINC001054192360 693875964 /nfs/dbraw/zinc/87/59/64/693875964.db2.gz 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/nfs/dbraw/zinc/89/74/33/693897433.db2.gz IFLPTHNLRYQCRT-IBGZPJMESA-N 0 3 314.429 2.468 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cnc(CC)s1)C2 ZINC001054247476 693898199 /nfs/dbraw/zinc/89/81/99/693898199.db2.gz WSJYSKHNGSAKMR-KRWDZBQOSA-N 0 3 317.458 2.267 20 30 DEEDHN C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054314426 693925555 /nfs/dbraw/zinc/92/55/55/693925555.db2.gz UIFALJFOMSHHRD-PXAZEXFGSA-N 0 3 315.392 2.434 20 30 DEEDHN CCCCCCCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000859424038 685725932 /nfs/dbraw/zinc/72/59/32/685725932.db2.gz BQJIUMMPLRBYPA-UHFFFAOYSA-N 0 3 311.470 2.017 20 30 DEEDHN Cc1ccc(CO[C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000860461224 685929527 /nfs/dbraw/zinc/92/95/27/685929527.db2.gz GLXSHOOHWSJGDB-ZBFHGGJFSA-N 0 3 314.385 2.231 20 30 DEEDHN COCCN1CCC[C@H]1COC(=O)CCc1ccc(C#N)cc1 ZINC000861033773 685988085 /nfs/dbraw/zinc/98/80/85/685988085.db2.gz RRZFVJNREJABBI-KRWDZBQOSA-N 0 3 316.401 2.145 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN[C@](C)(CO)c2ccccc2)cc1 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C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2)C1 ZINC001034023302 689697474 /nfs/dbraw/zinc/69/74/74/689697474.db2.gz MVMFGSIFUYWGTL-INIZCTEOSA-N 0 3 300.402 2.255 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000931062819 694307580 /nfs/dbraw/zinc/30/75/80/694307580.db2.gz UUKVTSJIIONWQA-UHFFFAOYSA-N 0 3 318.377 2.288 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(COC)cc2)C1 ZINC001034038897 689702565 /nfs/dbraw/zinc/70/25/65/689702565.db2.gz XTYFRUMPZAMUNN-GOSISDBHSA-N 0 3 314.429 2.393 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001034233203 689774115 /nfs/dbraw/zinc/77/41/15/689774115.db2.gz BYYODFJKJMKVHF-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001034242511 689778763 /nfs/dbraw/zinc/77/87/63/689778763.db2.gz YBGMBFCSOLFDAP-HNNXBMFYSA-N 0 3 315.417 2.435 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001034338164 689814316 /nfs/dbraw/zinc/81/43/16/689814316.db2.gz BFUHRYKYVIDMPO-AEFFLSMTSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001034411216 689839046 /nfs/dbraw/zinc/83/90/46/689839046.db2.gz OLIYQSHOVJXRKE-CYBMUJFWSA-N 0 3 305.809 2.343 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000876563633 689858403 /nfs/dbraw/zinc/85/84/03/689858403.db2.gz BKFWZSYWJXWLEU-GWCFXTLKSA-N 0 3 312.797 2.351 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001034466165 689859769 /nfs/dbraw/zinc/85/97/69/689859769.db2.gz ZASHZPDEADPLBZ-OAHLLOKOSA-N 0 3 315.417 2.235 20 30 DEEDHN C=CCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(C)C ZINC000876597198 689870812 /nfs/dbraw/zinc/87/08/12/689870812.db2.gz MQRFZYORKJPATG-UHFFFAOYSA-N 0 3 302.827 2.384 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000876599422 689871519 /nfs/dbraw/zinc/87/15/19/689871519.db2.gz ABISJGLRBXWSEU-SKDRFNHKSA-N 0 3 300.761 2.481 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001034491765 689872004 /nfs/dbraw/zinc/87/20/04/689872004.db2.gz WTCNFPNFHQXUDG-MRXNPFEDSA-N 0 3 312.417 2.193 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001034508295 689877654 /nfs/dbraw/zinc/87/76/54/689877654.db2.gz HHNCSSHVAHBHOH-CYBMUJFWSA-N 0 3 308.401 2.028 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000876620604 689878430 /nfs/dbraw/zinc/87/84/30/689878430.db2.gz QNVRMSRNQATXCM-QEJZJMRPSA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2OC)CC1 ZINC000876636946 689884702 /nfs/dbraw/zinc/88/47/02/689884702.db2.gz GZCUWLZHFTZYSW-ZDUSSCGKSA-N 0 3 308.809 2.313 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001034533898 689888296 /nfs/dbraw/zinc/88/82/96/689888296.db2.gz FAGZGWIRNKVVNB-CQSZACIVSA-N 0 3 324.856 2.310 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001034555316 689898321 /nfs/dbraw/zinc/89/83/21/689898321.db2.gz ZNYHMKSCZUEHSY-CJNGLKHVSA-N 0 3 318.465 2.297 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000876683925 689901574 /nfs/dbraw/zinc/90/15/74/689901574.db2.gz ZLIQBAGXSQJEDG-GXFFZTMASA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000876703944 689909345 /nfs/dbraw/zinc/90/93/45/689909345.db2.gz PFGZOXCVJFNEGP-QEJZJMRPSA-N 0 3 310.825 2.127 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000876728338 689917530 /nfs/dbraw/zinc/91/75/30/689917530.db2.gz JNUSLILSOTUIKE-CYBMUJFWSA-N 0 3 308.813 2.480 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCN1CCCc2ccccc21 ZINC000876730234 689918501 /nfs/dbraw/zinc/91/85/01/689918501.db2.gz DGNUGDHXUHVJDL-CQSZACIVSA-N 0 3 307.825 2.025 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCCN1c2ccccc2C[C@@H]1C ZINC000876740313 689922984 /nfs/dbraw/zinc/92/29/84/689922984.db2.gz MKBWHMUDZYNYTI-JSGCOSHPSA-N 0 3 307.825 2.024 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](NCc3cnns3)CC2)C1 ZINC001034729407 689935482 /nfs/dbraw/zinc/93/54/82/689935482.db2.gz LOJZPEABWNYVNH-JOCQHMNTSA-N 0 3 320.462 2.411 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000876853111 689954152 /nfs/dbraw/zinc/95/41/52/689954152.db2.gz FCEGXKAYYVURMW-CHWSQXEVSA-N 0 3 323.824 2.457 20 30 DEEDHN C#CC1(O)CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000931144786 694327086 /nfs/dbraw/zinc/32/70/86/694327086.db2.gz FEKJELHDWJTLLW-AWEZNQCLSA-N 0 3 313.319 2.199 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000876900273 689968035 /nfs/dbraw/zinc/96/80/35/689968035.db2.gz HAIYHCCTSOMDPV-YNEHKIRRSA-N 0 3 300.830 2.262 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](COC)Cc1ccccc1 ZINC000876902348 689968910 /nfs/dbraw/zinc/96/89/10/689968910.db2.gz MZMMNESAJDGFQJ-GJZGRUSLSA-N 0 3 310.825 2.172 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000876920439 689973137 /nfs/dbraw/zinc/97/31/37/689973137.db2.gz RLWGUXJXCZBIKV-JFUSQASVSA-N 0 3 300.736 2.407 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CCc2ccccc2N1 ZINC000876948975 689980255 /nfs/dbraw/zinc/98/02/55/689980255.db2.gz YBIMZUDLPXHLMK-KGLIPLIRSA-N 0 3 307.825 2.390 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000876971047 689986776 /nfs/dbraw/zinc/98/67/76/689986776.db2.gz LFIGKWYUBOLMTN-KGLIPLIRSA-N 0 3 300.830 2.264 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCc1ccc(F)c(F)c1 ZINC001034930297 689993922 /nfs/dbraw/zinc/99/39/22/689993922.db2.gz OWRHDGJYSKCBBE-OAHLLOKOSA-N 0 3 318.367 2.459 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001035012142 690008512 /nfs/dbraw/zinc/00/85/12/690008512.db2.gz SDNPPBFIMDUMMO-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001035010862 690008604 /nfs/dbraw/zinc/00/86/04/690008604.db2.gz KIHNPCWBFMAKOL-GXTWGEPZSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)NCC)sc1C ZINC000877204811 690045939 /nfs/dbraw/zinc/04/59/39/690045939.db2.gz OXWITSXUHRUNBN-SECBINFHSA-N 0 3 315.826 2.215 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000877230618 690051329 /nfs/dbraw/zinc/05/13/29/690051329.db2.gz BCZXEGQWJPIMOK-WBVHZDCISA-N 0 3 303.381 2.495 20 30 DEEDHN N#CCc1cccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC000877340982 690080557 /nfs/dbraw/zinc/08/05/57/690080557.db2.gz SOTCPWNPQMOOQL-SFHVURJKSA-N 0 3 305.381 2.197 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)COC1CCCC1)CC2 ZINC001035655235 690144134 /nfs/dbraw/zinc/14/41/34/690144134.db2.gz GZXWKKUVRJVNDK-UHFFFAOYSA-N 0 3 306.450 2.446 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1oc(C)nc1C)CC2 ZINC001035679843 690150163 /nfs/dbraw/zinc/15/01/63/690150163.db2.gz LTBNQEMBHJPQLX-UHFFFAOYSA-N 0 3 303.406 2.406 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCO[C@H]1C)CC2 ZINC001035690808 690153373 /nfs/dbraw/zinc/15/33/73/690153373.db2.gz FMCHWAXBJHPZRV-HOTGVXAUSA-N 0 3 306.450 2.302 20 30 DEEDHN C=CCC[C@H](CO)NCc1cc(Br)cnc1OC ZINC000877574973 690155944 /nfs/dbraw/zinc/15/59/44/690155944.db2.gz BBAMAQCUIINAFA-GFCCVEGCSA-N 0 3 315.211 2.269 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc(C)nc(C)c1)CC2 ZINC001035713997 690158882 /nfs/dbraw/zinc/15/88/82/690158882.db2.gz JUWJVMCAGSYSPO-UHFFFAOYSA-N 0 3 311.429 2.260 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCO[C@H]1CC)CC2 ZINC001035719171 690159989 /nfs/dbraw/zinc/15/99/89/690159989.db2.gz XJWNFZKDHDSDJS-IRXDYDNUSA-N 0 3 318.461 2.139 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](CC)O1)CC2 ZINC001035719384 690160037 /nfs/dbraw/zinc/16/00/37/690160037.db2.gz UWDPQGZDVBXHHZ-JKSUJKDBSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ncccc1F)CC2 ZINC001035778482 690174007 /nfs/dbraw/zinc/17/40/07/690174007.db2.gz HHRWODCSDJDVQE-UHFFFAOYSA-N 0 3 317.408 2.264 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCC3(CN([C@H](C)COC)C3)CC2)C1 ZINC001035789604 690176432 /nfs/dbraw/zinc/17/64/32/690176432.db2.gz ZQSVVZLFFSKRIR-OAHLLOKOSA-N 0 3 306.450 2.302 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc(OC)n1)CC2 ZINC001035825667 690185637 /nfs/dbraw/zinc/18/56/37/690185637.db2.gz AXSVNQWJLYQGRO-UHFFFAOYSA-N 0 3 315.417 2.204 20 30 DEEDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000877673342 690186457 /nfs/dbraw/zinc/18/64/57/690186457.db2.gz DSHJCGJYVGDRPA-PBHICJAKSA-N 0 3 315.417 2.468 20 30 DEEDHN Cc1nnsc1CNC1CCN(c2ccccc2C#N)CC1 ZINC000877682842 690189515 /nfs/dbraw/zinc/18/95/15/690189515.db2.gz UUAGHSFVFIXDTL-UHFFFAOYSA-N 0 3 313.430 2.477 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)CC1(O)CCCCC1 ZINC000877917451 690260023 /nfs/dbraw/zinc/26/00/23/690260023.db2.gz USLNMOWYMYXQEP-KRWDZBQOSA-N 0 3 302.418 2.436 20 30 DEEDHN COC[C@H]1CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878122570 690317189 /nfs/dbraw/zinc/31/71/89/690317189.db2.gz CHAQPYJPEXVJOQ-WMZOPIPTSA-N 0 3 300.402 2.395 20 30 DEEDHN C=CC[C@H](C)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000878395154 690395854 /nfs/dbraw/zinc/39/58/54/690395854.db2.gz WMSRRUADGQUNPA-ZFWWWQNUSA-N 0 3 300.468 2.277 20 30 DEEDHN N#Cc1ccccc1CN1CC[C@H]2CN(C(=O)C(F)F)CC[C@H]21 ZINC001036611506 690400033 /nfs/dbraw/zinc/40/00/33/690400033.db2.gz FHWMHESPOWRKGF-LSDHHAIUSA-N 0 3 319.355 2.246 20 30 DEEDHN N#Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3C/C=C\Cl)C2)c[nH]1 ZINC001036684460 690433509 /nfs/dbraw/zinc/43/35/09/690433509.db2.gz IALAPFGULIWYMR-NAASWDCESA-N 0 3 318.808 2.175 20 30 DEEDHN N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3C/C=C\Cl)C2)c[nH]1 ZINC001036684462 690433668 /nfs/dbraw/zinc/43/36/68/690433668.db2.gz IALAPFGULIWYMR-TWTXTJRPSA-N 0 3 318.808 2.175 20 30 DEEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](O)C1(C)C)c1ccccc1 ZINC000878634653 690461435 /nfs/dbraw/zinc/46/14/35/690461435.db2.gz KGGRJKOEBQJCEN-AEFFLSMTSA-N 0 3 300.402 2.272 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@@H]1CCC[C@H]1NC(=O)C1CC1 ZINC001036917921 690527858 /nfs/dbraw/zinc/52/78/58/690527858.db2.gz DKHJQJLXVURUKA-WMLDXEAASA-N 0 3 315.392 2.482 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@H]2CCC[C@H]2CNCc2ccn(C)n2)C1 ZINC001037075293 690566308 /nfs/dbraw/zinc/56/63/08/690566308.db2.gz NUXVRGWCYBPYOM-HOCLYGCPSA-N 0 3 316.449 2.151 20 30 DEEDHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cc(F)ccc1C#N ZINC001037757121 690604219 /nfs/dbraw/zinc/60/42/19/690604219.db2.gz RIWQVLDWUZXGIV-DYVFJYSZSA-N 0 3 303.381 2.434 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](OC)CC[C@H]1C ZINC000879320345 690618591 /nfs/dbraw/zinc/61/85/91/690618591.db2.gz HULOVROSCKUCQG-HIFRSBDPSA-N 0 3 304.390 2.445 20 30 DEEDHN CO[C@H]1C[C@@H](CN2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000879590933 690682571 /nfs/dbraw/zinc/68/25/71/690682571.db2.gz NWUIMBPNGKQTSE-AKAXFMLLSA-N 0 3 303.381 2.244 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2CCCC2CCC2)c1 ZINC001038147499 690720966 /nfs/dbraw/zinc/72/09/66/690720966.db2.gz XCRDEMGPCFDXAG-HNNXBMFYSA-N 0 3 300.406 2.271 20 30 DEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN2CCC2CCCC2)c[nH]1 ZINC001038168972 690729025 /nfs/dbraw/zinc/72/90/25/690729025.db2.gz QKHSSBXPBBXUAS-INIZCTEOSA-N 0 3 300.406 2.271 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)[nH]1 ZINC001038172055 690730145 /nfs/dbraw/zinc/73/01/45/690730145.db2.gz FFSSNUSPLHWFGL-HNNXBMFYSA-N 0 3 312.417 2.271 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038253259 690759858 /nfs/dbraw/zinc/75/98/58/690759858.db2.gz DTYDADDBJCRPNJ-MRXNPFEDSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295925 690771713 /nfs/dbraw/zinc/77/17/13/690771713.db2.gz IVDQBGDEQWULIO-LBPRGKRZSA-N 0 3 312.364 2.357 20 30 DEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@]2(CCc3ccccc32)C1 ZINC000879994717 690775302 /nfs/dbraw/zinc/77/53/02/690775302.db2.gz LMHCTWNRUBQRJK-HNAYVOBHSA-N 0 3 311.429 2.337 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038370780 690798270 /nfs/dbraw/zinc/79/82/70/690798270.db2.gz BSQMFEVAPPZTQL-ZDUSSCGKSA-N 0 3 315.373 2.304 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038492171 690839324 /nfs/dbraw/zinc/83/93/24/690839324.db2.gz LOSDYYCZPKQJRN-OAHLLOKOSA-N 0 3 302.422 2.172 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001038545788 690854654 /nfs/dbraw/zinc/85/46/54/690854654.db2.gz GOTYWEWBTIUXFQ-CYBMUJFWSA-N 0 3 300.362 2.050 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001038557831 690858030 /nfs/dbraw/zinc/85/80/30/690858030.db2.gz QJASPUCHVHPXIZ-QGZVFWFLSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573920 690863439 /nfs/dbraw/zinc/86/34/39/690863439.db2.gz ZYDPSGJRMRMCIR-OAHLLOKOSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1coc(=O)c2ccccc12 ZINC001038576551 690864573 /nfs/dbraw/zinc/86/45/73/690864573.db2.gz OYKYIKQBSQXBSB-ZDUSSCGKSA-N 0 3 312.369 2.173 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCOC2)CC1 ZINC001038662693 690889668 /nfs/dbraw/zinc/88/96/68/690889668.db2.gz TYYKLDRLHRPJHW-WBVHZDCISA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880494359 690910804 /nfs/dbraw/zinc/91/08/04/690910804.db2.gz AHLPCFSZPFFKIU-SFHVURJKSA-N 0 3 300.402 2.066 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880506673 690912965 /nfs/dbraw/zinc/91/29/65/690912965.db2.gz KAJRIRRTNDDMSN-DOMZBBRYSA-N 0 3 305.403 2.250 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038782223 690924419 /nfs/dbraw/zinc/92/44/19/690924419.db2.gz NMJSFNFOKGEMOB-CQSZACIVSA-N 0 3 303.406 2.169 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038822079 690934664 /nfs/dbraw/zinc/93/46/64/690934664.db2.gz HZPJECGLOMJVOP-CJNGLKHVSA-N 0 3 300.402 2.390 20 30 DEEDHN OCCCCCN1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000931493468 694412298 /nfs/dbraw/zinc/41/22/98/694412298.db2.gz VXIRCBUOTYRCOQ-UHFFFAOYSA-N 0 3 320.864 2.472 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)nc1 ZINC001038931819 690970194 /nfs/dbraw/zinc/97/01/94/690970194.db2.gz OJXXDMDTAALWLE-QGZVFWFLSA-N 0 3 323.440 2.447 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001038973882 690981600 /nfs/dbraw/zinc/98/16/00/690981600.db2.gz AZCYOBWEELTNRD-CABCVRRESA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039062726 691007086 /nfs/dbraw/zinc/00/70/86/691007086.db2.gz YZAGPPAMJKESGP-CQSZACIVSA-N 0 3 315.377 2.229 20 30 DEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccon2)C1 ZINC001039193523 691047290 /nfs/dbraw/zinc/04/72/90/691047290.db2.gz MHSLYNYYGIJICA-HOCLYGCPSA-N 0 3 301.390 2.015 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cc(C)sn2)C1 ZINC001039197677 691049608 /nfs/dbraw/zinc/04/96/08/691049608.db2.gz BMKQSOQRCLOPCJ-GOEBONIOSA-N 0 3 317.458 2.401 20 30 DEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ncccc2C)C1 ZINC001039202878 691052773 /nfs/dbraw/zinc/05/27/73/691052773.db2.gz LOUQRXIMHNOQPA-IRXDYDNUSA-N 0 3 311.429 2.340 20 30 DEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn(C)c2C)C1 ZINC001039233038 691063076 /nfs/dbraw/zinc/06/30/76/691063076.db2.gz ZJIBBKKVUDEBHR-FUHWJXTLSA-N 0 3 313.445 2.283 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCOC1 ZINC001039354569 691087481 /nfs/dbraw/zinc/08/74/81/691087481.db2.gz 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C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cccnc1 ZINC001039452050 691109259 /nfs/dbraw/zinc/10/92/59/691109259.db2.gz CDERGJZUAYBDOL-CVEARBPZSA-N 0 3 315.417 2.102 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1 ZINC001040108526 691197811 /nfs/dbraw/zinc/19/78/11/691197811.db2.gz CUZPJTHSIMSHAO-QGZVFWFLSA-N 0 3 303.381 2.335 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC001040110889 691199071 /nfs/dbraw/zinc/19/90/71/691199071.db2.gz XIRZEAFYNTXCCX-CQSZACIVSA-N 0 3 302.340 2.277 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3ccncc3C)C2)C1 ZINC001040195805 691212139 /nfs/dbraw/zinc/21/21/39/691212139.db2.gz SDHJMBHXXARBPY-IBGZPJMESA-N 0 3 311.429 2.341 20 30 DEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3coc(OCC)n3)C2)C1 ZINC001040280254 691224465 /nfs/dbraw/zinc/22/44/65/691224465.db2.gz CKGZUBSUGQKVAT-QGZVFWFLSA-N 0 3 319.405 2.187 20 30 DEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C(F)(F)F)C2)C1 ZINC001040328747 691230705 /nfs/dbraw/zinc/23/07/05/691230705.db2.gz 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C=C(Cl)CN1CC[C@@]2(CCN(C(=O)c3cnc(C)[nH]3)C2)C1 ZINC001041143112 691332048 /nfs/dbraw/zinc/33/20/48/691332048.db2.gz KBBRCWPRAHNTCN-OAHLLOKOSA-N 0 3 308.813 2.009 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001041144991 691333351 /nfs/dbraw/zinc/33/33/51/691333351.db2.gz CMVWMVKMRSGNBK-KSSFIOAISA-N 0 3 315.392 2.410 20 30 DEEDHN Cc1cncc(CN2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)c1 ZINC001041272959 691354544 /nfs/dbraw/zinc/35/45/44/691354544.db2.gz KXYJJMUBHCCHNL-FQEVSTJZSA-N 0 3 323.440 2.228 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC001041331729 691362434 /nfs/dbraw/zinc/36/24/34/691362434.db2.gz XTKVDMINESBGGO-HXUWFJFHSA-N 0 3 310.441 2.404 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cccc4c3O[C@H](C)C4)C2)C1 ZINC001041483492 691382975 /nfs/dbraw/zinc/38/29/75/691382975.db2.gz RFDWQBFHRRLGEY-FOIQADDNSA-N 0 3 324.424 2.181 20 30 DEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)c3cccs3)C2)C1 ZINC001041673244 691408326 /nfs/dbraw/zinc/40/83/26/691408326.db2.gz 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/nfs/dbraw/zinc/43/67/04/691436704.db2.gz HMJXKOQDDRZDGT-IBGZPJMESA-N 0 3 309.413 2.130 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CCc3ccc(C)o3)C2)C1 ZINC001041844142 691443630 /nfs/dbraw/zinc/44/36/30/691443630.db2.gz DNLZIYUOEXBGIJ-LJQANCHMSA-N 0 3 314.429 2.468 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC4CCC3CC4)C2)C1 ZINC001041847138 691445111 /nfs/dbraw/zinc/44/51/11/691445111.db2.gz JMUKUMIQAXSHFK-AKSNENBUSA-N 0 3 300.446 2.370 20 30 DEEDHN C=CCC[C@@H](NCCS(=O)(=O)CC)[C@@H]1Cc2ccccc2O1 ZINC000883184629 691451755 /nfs/dbraw/zinc/45/17/55/691451755.db2.gz AYTBVIKJIXHOCT-WBVHZDCISA-N 0 3 323.458 2.349 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc2oc(C)nc21 ZINC000931681110 694453842 /nfs/dbraw/zinc/45/38/42/694453842.db2.gz MCOGBESNABCWLG-UHFFFAOYSA-N 0 3 300.362 2.213 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000883343611 691484996 /nfs/dbraw/zinc/48/49/96/691484996.db2.gz TUMFWFFEKSSJCP-HNNXBMFYSA-N 0 3 307.438 2.038 20 30 DEEDHN Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001042059099 691494420 /nfs/dbraw/zinc/49/44/20/691494420.db2.gz ZJNONERIJJTAEQ-MJGOQNOKSA-N 0 3 323.440 2.226 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c[nH]c(CC(C)C)n3)C[C@H]21 ZINC001042062199 691495077 /nfs/dbraw/zinc/49/50/77/691495077.db2.gz KVDDXVRIUQHNIY-GDBMZVCRSA-N 0 3 316.449 2.331 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(c4ccccn4)CC3)C[C@H]21 ZINC001042063331 691495322 /nfs/dbraw/zinc/49/53/22/691495322.db2.gz UXMZZPFBSIUMSU-JKSUJKDBSA-N 0 3 311.429 2.222 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3c(Cl)cnn3C)C[C@@H]21 ZINC001042064957 691496325 /nfs/dbraw/zinc/49/63/25/691496325.db2.gz MFUWJSVXNBDJET-JSGCOSHPSA-N 0 3 322.840 2.186 20 30 DEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3nn(C)cc3Cl)C[C@@H]21 ZINC001042078612 691501164 /nfs/dbraw/zinc/50/11/64/691501164.db2.gz XMNSEIMURJCCAN-JSGCOSHPSA-N 0 3 322.840 2.186 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3c(F)cncc3F)C[C@@H]21 ZINC001042079660 691501339 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NVZMQCXVSMDRNK-STQMWFEESA-N 0 3 308.451 2.269 20 30 DEEDHN C#CCCN(C)CCN(C(=O)c1cc(CCC)n[nH]1)C(C)C ZINC001332720135 1149884379 /nfs/dbraw/zinc/88/43/79/1149884379.db2.gz MJLKCBIOJJXKGD-UHFFFAOYSA-N 0 3 304.438 2.168 20 30 DEEDHN C#CCCN(C)CCN(C(=O)CN(C)c1ccccc1)C(C)C ZINC001332740212 1149887029 /nfs/dbraw/zinc/88/70/29/1149887029.db2.gz FMGGPXZHMHGRRU-UHFFFAOYSA-N 0 3 315.461 2.315 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001333670497 1150076728 /nfs/dbraw/zinc/07/67/28/1150076728.db2.gz IJIZHNASQOYLPH-MRXNPFEDSA-N 0 3 317.433 2.487 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2c(F)cccc2OC)CC1 ZINC001335519295 1150442057 /nfs/dbraw/zinc/44/20/57/1150442057.db2.gz LWXAMNLOSNYXHA-UHFFFAOYSA-N 0 3 321.396 2.284 20 30 DEEDHN COc1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)nc1 ZINC001343056430 1150667819 /nfs/dbraw/zinc/66/78/19/1150667819.db2.gz PQFNYGNXJUXPKB-GDBMZVCRSA-N 0 3 316.405 2.165 20 30 DEEDHN COc1cccc2c1CCC[C@H](NC(=O)[C@@H](N)CCCC#N)C2 ZINC001343349632 1150737101 /nfs/dbraw/zinc/73/71/01/1150737101.db2.gz KAHMOQRBDSWYDB-HOCLYGCPSA-N 0 3 315.417 2.080 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001345204415 1150873727 /nfs/dbraw/zinc/87/37/27/1150873727.db2.gz CPIJMJNYQMBXTM-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN Cc1cccnc1CN1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001402593429 1162404651 /nfs/dbraw/zinc/40/46/51/1162404651.db2.gz DMBPJACELUBNDO-LSDHHAIUSA-N 0 3 300.406 2.020 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC001350490606 1151363213 /nfs/dbraw/zinc/36/32/13/1151363213.db2.gz MSYPOWKWFVUOLT-HZSPNIEDSA-N 0 3 313.392 2.370 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001480277380 1151737428 /nfs/dbraw/zinc/73/74/28/1151737428.db2.gz UPPFRTVVBRDMGS-HUUCEWRRSA-N 0 3 302.422 2.332 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001402703140 1162443743 /nfs/dbraw/zinc/44/37/43/1162443743.db2.gz MHACIZFVAMLDBZ-DSSBGTQQSA-N 0 3 304.221 2.293 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001353876338 1151859599 /nfs/dbraw/zinc/85/95/99/1151859599.db2.gz VTQJBPIXPKOXKF-MRXNPFEDSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC001357249027 1152276775 /nfs/dbraw/zinc/27/67/75/1152276775.db2.gz BFRJOIQMBPBDAN-CHWSQXEVSA-N 0 3 306.410 2.444 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC001357892384 1152346815 /nfs/dbraw/zinc/34/68/15/1152346815.db2.gz RMOMQCFLEJGGMW-AWEZNQCLSA-N 0 3 304.438 2.015 20 30 DEEDHN C[C@@H](CNC(=O)c1ccccc1[O-])C[NH2+]Cc1ccc(C#N)cc1 ZINC001378533555 1152365249 /nfs/dbraw/zinc/36/52/49/1152365249.db2.gz LORLSAKMWOAWIX-CQSZACIVSA-N 0 3 323.396 2.420 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc([C@@H](C)CC(N)=O)cc1 ZINC001358443868 1152386449 /nfs/dbraw/zinc/38/64/49/1152386449.db2.gz FMFBWHHCLUCNRN-SWLSCSKDSA-N 0 3 303.406 2.288 20 30 DEEDHN N#Cc1cccc(CNC2(CNC(=O)c3ccsn3)CC2)c1 ZINC001380115484 1152752288 /nfs/dbraw/zinc/75/22/88/1152752288.db2.gz MQNDHBMHCJWBHN-UHFFFAOYSA-N 0 3 312.398 2.067 20 30 DEEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001380119960 1152752626 /nfs/dbraw/zinc/75/26/26/1152752626.db2.gz DFUFZLYAKGNVML-LSDHHAIUSA-N 0 3 324.428 2.435 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@H]3CC34CC4)CC2)cc1F ZINC001380179181 1152763170 /nfs/dbraw/zinc/76/31/70/1152763170.db2.gz ZKCYRFQWGMXKJT-CQSZACIVSA-N 0 3 313.376 2.236 20 30 DEEDHN CCOCC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC001380259726 1152777137 /nfs/dbraw/zinc/77/71/37/1152777137.db2.gz LMKSKDMXGOOZET-PBHICJAKSA-N 0 3 315.417 2.064 20 30 DEEDHN CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@@H]1C#N)c1cccc(OC)c1 ZINC001362033125 1152807146 /nfs/dbraw/zinc/80/71/46/1152807146.db2.gz OSNCLNPHHPXGTM-OIISXLGYSA-N 0 3 315.417 2.354 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C[C@H]2CCCOC2)C1 ZINC001381336667 1153008449 /nfs/dbraw/zinc/00/84/49/1153008449.db2.gz YOHTZSMRXASFKZ-IYXRBSQSSA-N 0 3 300.830 2.040 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001381413429 1153047870 /nfs/dbraw/zinc/04/78/70/1153047870.db2.gz OPQKMDKXUMGHCS-NXEZZACHSA-N 0 3 320.393 2.384 20 30 DEEDHN CC(C)N1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC001362849082 1153113815 /nfs/dbraw/zinc/11/38/15/1153113815.db2.gz XNWKJBAGXXDFHO-HOCLYGCPSA-N 0 3 315.417 2.315 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001381583340 1153138725 /nfs/dbraw/zinc/13/87/25/1153138725.db2.gz ORUFIEUTIZATIL-ZDUSSCGKSA-N 0 3 303.878 2.153 20 30 DEEDHN N#Cc1ccc(N2CCN(CC3(O)CCCCCC3)CC2)nc1 ZINC001363199303 1153263423 /nfs/dbraw/zinc/26/34/23/1153263423.db2.gz MNECQNOAOMRSAD-UHFFFAOYSA-N 0 3 314.433 2.161 20 30 DEEDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@H](O)c1cccc(C#N)c1 ZINC001363214417 1153272669 /nfs/dbraw/zinc/27/26/69/1153272669.db2.gz DQUYGXANJABQCJ-HNNXBMFYSA-N 0 3 317.433 2.122 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001381963599 1153291743 /nfs/dbraw/zinc/29/17/43/1153291743.db2.gz SJVBYRMPGCZJPM-JOCQHMNTSA-N 0 3 322.840 2.070 20 30 DEEDHN Cc1cccnc1CN1CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC1 ZINC001382558472 1153470108 /nfs/dbraw/zinc/47/01/08/1153470108.db2.gz QXWCLQPVWBLVKN-LSDHHAIUSA-N 0 3 314.433 2.266 20 30 DEEDHN CCN1C[C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C(C)(C)C1 ZINC001363652955 1153528953 /nfs/dbraw/zinc/52/89/53/1153528953.db2.gz MFMBJBVEVKIRFB-XJKSGUPXSA-N 0 3 315.417 2.172 20 30 DEEDHN COc1cc([C@@H](C)N[C@H](C)CCC#N)ccc1S(C)(=O)=O ZINC001363858846 1153674441 /nfs/dbraw/zinc/67/44/41/1153674441.db2.gz VMBCIGFPLDIDEG-VXGBXAGGSA-N 0 3 310.419 2.442 20 30 DEEDHN CC(C)[C@@H](F)C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001402984128 1162599364 /nfs/dbraw/zinc/59/93/64/1162599364.db2.gz JOIACHYWQOEHRA-IAQYHMDHSA-N 0 3 309.360 2.286 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001389359564 1155319573 /nfs/dbraw/zinc/31/95/73/1155319573.db2.gz TZGGFIAKZJCZOS-DZGCQCFKSA-N 0 3 324.856 2.074 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001389965277 1155484675 /nfs/dbraw/zinc/48/46/75/1155484675.db2.gz NXVWRVMZDQJAAJ-HONMWMINSA-N 0 3 321.808 2.245 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001390005463 1155496833 /nfs/dbraw/zinc/49/68/33/1155496833.db2.gz LRSQLMIFHWGTTM-ZZVYKPCYSA-N 0 3 300.830 2.181 20 30 DEEDHN Cc1ocnc1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001403111520 1162731865 /nfs/dbraw/zinc/73/18/65/1162731865.db2.gz YJJSWJDDTNHBLX-LBPRGKRZSA-N 0 3 312.373 2.105 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn2ccccc2n1 ZINC001371873675 1156048372 /nfs/dbraw/zinc/04/83/72/1156048372.db2.gz KAKZTRGRXYAPIJ-LBPRGKRZSA-N 0 3 306.797 2.185 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001371896449 1156058756 /nfs/dbraw/zinc/05/87/56/1156058756.db2.gz QGWLZKPJFJYCBZ-JTQLQIEISA-N 0 3 323.780 2.384 20 30 DEEDHN CO[C@@H](C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1)C(C)C ZINC001403160093 1162800428 /nfs/dbraw/zinc/80/04/28/1162800428.db2.gz ANOLNKCOJUKWBZ-RHSMWYFYSA-N 0 3 317.433 2.166 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001391787580 1156803111 /nfs/dbraw/zinc/80/31/11/1156803111.db2.gz NZRKNPPFCOVACA-HIFRSBDPSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CN(CCNC(=O)[C@@H]1CCCCN1CC)C1CC1 ZINC001372901642 1156818304 /nfs/dbraw/zinc/81/83/04/1156818304.db2.gz LCZONFHCHRMKAT-HNNXBMFYSA-N 0 3 313.873 2.194 20 30 DEEDHN CC[C@H](F)CNC[C@@H](CC(C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC001392169203 1156880715 /nfs/dbraw/zinc/88/07/15/1156880715.db2.gz OKRIJTAWIZIFBJ-DZGCQCFKSA-N 0 3 308.401 2.369 20 30 DEEDHN CC[C@@H](SC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001392471311 1157063264 /nfs/dbraw/zinc/06/32/64/1157063264.db2.gz MHUUOZGDYLQOJC-IAQYHMDHSA-N 0 3 323.437 2.433 20 30 DEEDHN CC[C@H](SC)C(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001392471309 1157063512 /nfs/dbraw/zinc/06/35/12/1157063512.db2.gz MHUUOZGDYLQOJC-ABAIWWIYSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2ccn(C)n2)CCCCC1 ZINC001403280045 1162836781 /nfs/dbraw/zinc/83/67/81/1162836781.db2.gz VIQCHNNEONJFTJ-UHFFFAOYSA-N 0 3 324.856 2.124 20 30 DEEDHN CC[C@@H](CNC(=O)[C@@H](C)SC)NCc1ccc(C#N)s1 ZINC001373736462 1157324691 /nfs/dbraw/zinc/32/46/91/1157324691.db2.gz NGSFTMZJGVDHNM-MNOVXSKESA-N 0 3 311.476 2.356 20 30 DEEDHN Cc1cc(C(=O)N(C)[C@@H](C)CNCc2ccc(C#N)s2)no1 ZINC001374195173 1157714905 /nfs/dbraw/zinc/71/49/05/1157714905.db2.gz JGACZEWKHOJVMW-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN Cc1cc(C(=O)N(C)[C@H](C)CNCc2ccc(C#N)s2)no1 ZINC001374195177 1157715419 /nfs/dbraw/zinc/71/54/19/1157715419.db2.gz JGACZEWKHOJVMW-SNVBAGLBSA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)COC1CCCC1)C(C)C ZINC001374408662 1157844252 /nfs/dbraw/zinc/84/42/52/1157844252.db2.gz DWYWAHWCNGKVAU-AWEZNQCLSA-N 0 3 302.846 2.429 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(OCC#N)cc1 ZINC001374519069 1157885620 /nfs/dbraw/zinc/88/56/20/1157885620.db2.gz AGAOSQCPGIKIQE-YOEHRIQHSA-N 0 3 315.417 2.135 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001393880430 1158040843 /nfs/dbraw/zinc/04/08/43/1158040843.db2.gz BYZSOTKWPGEWIO-UONOGXRCSA-N 0 3 301.862 2.002 20 30 DEEDHN C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccoc1 ZINC001374866377 1158063077 /nfs/dbraw/zinc/06/30/77/1158063077.db2.gz JNXVEPGZJPVJMU-NSHDSACASA-N 0 3 301.321 2.198 20 30 DEEDHN Cc1noc(C)c1CNC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C ZINC001394811387 1158800676 /nfs/dbraw/zinc/80/06/76/1158800676.db2.gz NFTPERUBSDWAGS-IINYFYTJSA-N 0 3 306.410 2.072 20 30 DEEDHN Cc1cncc(CN2CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001394842034 1158810154 /nfs/dbraw/zinc/81/01/54/1158810154.db2.gz KQNANVWDVXVEJI-LSDHHAIUSA-N 0 3 314.433 2.266 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001376570997 1159553196 /nfs/dbraw/zinc/55/31/96/1159553196.db2.gz CLZTZRNISXCSHF-AWEZNQCLSA-N 0 3 313.873 2.194 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC001376706038 1159709440 /nfs/dbraw/zinc/70/94/40/1159709440.db2.gz LDEJNLZYEBBBEF-WFASDCNBSA-N 0 3 315.392 2.482 20 30 DEEDHN C[C@@H]1C[C@@H]1C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001376709376 1159712775 /nfs/dbraw/zinc/71/27/75/1159712775.db2.gz ZGUZFEHONGWPKS-RISCZKNCSA-N 0 3 303.431 2.404 20 30 DEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)CC3CC3)C2)c1 ZINC001397091687 1159972963 /nfs/dbraw/zinc/97/29/63/1159972963.db2.gz HSAMBGLUOWAOBT-KOMQPUFPSA-N 0 3 315.392 2.482 20 30 DEEDHN CC(C)C[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001378026240 1160933662 /nfs/dbraw/zinc/93/36/62/1160933662.db2.gz GEFMCINDESDBBI-COXVUDFISA-N 0 3 314.433 2.467 20 30 DEEDHN C[C@@H](CNC(=O)c1nccs1)N(C)Cc1cccc(C#N)c1 ZINC001378155565 1161061994 /nfs/dbraw/zinc/06/19/94/1161061994.db2.gz ADWFEQWVJDSLBB-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1noc2c1CCCC2 ZINC001399399879 1161378749 /nfs/dbraw/zinc/37/87/49/1161378749.db2.gz LGFVOYBBRHXJMA-LLVKDONJSA-N 0 3 311.813 2.404 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CCOC[C@H]2C)CCCC1 ZINC001400950078 1161851464 /nfs/dbraw/zinc/85/14/64/1161851464.db2.gz BHGDXGVAHSFODX-OCCSQVGLSA-N 0 3 314.857 2.430 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)N(C)C(=O)[C@@H]1CC12CC2 ZINC001401240102 1161901944 /nfs/dbraw/zinc/90/19/44/1161901944.db2.gz FZTBBKDWMQQUNZ-WFASDCNBSA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccc(OC)nc1)C(C)C ZINC001401328482 1161933206 /nfs/dbraw/zinc/93/32/06/1161933206.db2.gz AKBZRWAXCLMDAG-CYBMUJFWSA-N 0 3 311.813 2.187 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(C)CCOCC1)C(C)C ZINC001401347182 1161941344 /nfs/dbraw/zinc/94/13/44/1161941344.db2.gz WONWBNQXJXSEAZ-ZDUSSCGKSA-N 0 3 302.846 2.286 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(C(F)F)CC1 ZINC001401680400 1162073413 /nfs/dbraw/zinc/07/34/13/1162073413.db2.gz NICNXZHLOQRYNR-VIFPVBQESA-N 0 3 313.373 2.259 20 30 DEEDHN N#Cc1ccc(CNC2(CNC(=O)[C@@H]3CC[C@H](F)C3)CC2)cc1 ZINC001401958894 1162197162 /nfs/dbraw/zinc/19/71/62/1162197162.db2.gz OEUHJHKGMWDNNK-CVEARBPZSA-N 0 3 315.392 2.435 20 30 DEEDHN CCC[C@@H](OC)C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001401965127 1162198970 /nfs/dbraw/zinc/19/89/70/1162198970.db2.gz IACNIICRNAOPEC-MRXNPFEDSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001401971228 1162202247 /nfs/dbraw/zinc/20/22/47/1162202247.db2.gz RYOVNODRYZSZKQ-AWEZNQCLSA-N 0 3 313.873 2.240 20 30 DEEDHN CCN(CCNC(=O)[C@@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC001403848724 1163249432 /nfs/dbraw/zinc/24/94/32/1163249432.db2.gz DDGKFDPATKHPOC-AWEZNQCLSA-N 0 3 307.344 2.152 20 30 DEEDHN CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccc(C#N)cc1 ZINC001403852435 1163252077 /nfs/dbraw/zinc/25/20/77/1163252077.db2.gz XXQCJPOPNIOGEF-UHFFFAOYSA-N 0 3 321.384 2.010 20 30 DEEDHN C=C(Cl)CN1CCC([C@@H](C)NC(=O)Cn2cncc2C)CC1 ZINC001403980075 1163347783 /nfs/dbraw/zinc/34/77/83/1163347783.db2.gz ZDUXZGZOKMQKGG-CQSZACIVSA-N 0 3 324.856 2.161 20 30 DEEDHN C[C@H](C#N)C(=O)NCC1CN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001404879150 1163844765 /nfs/dbraw/zinc/84/47/65/1163844765.db2.gz VPALIBGRIZICRL-KGLIPLIRSA-N 0 3 311.429 2.444 20 30 DEEDHN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)Cn1ccnc1C ZINC001405939898 1164348716 /nfs/dbraw/zinc/34/87/16/1164348716.db2.gz DHGOXTQYEQQJHN-CQSZACIVSA-N 0 3 312.845 2.065 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](CNCc1ccns1)C1CCCCC1 ZINC001405942675 1164350299 /nfs/dbraw/zinc/35/02/99/1164350299.db2.gz HEXUGKSVKNDHRJ-WFASDCNBSA-N 0 3 320.462 2.457 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCOCC1)C(C)C ZINC001406011916 1164387569 /nfs/dbraw/zinc/38/75/69/1164387569.db2.gz CMRUWAABXDVVRU-ZIAGYGMSSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1ccnn1CCC)C(C)C ZINC001406049067 1164408286 /nfs/dbraw/zinc/40/82/86/1164408286.db2.gz PEFFLLQZYLVTKP-CYBMUJFWSA-N 0 3 312.845 2.390 20 30 DEEDHN Cc1cccnc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001406471445 1164627330 /nfs/dbraw/zinc/62/73/30/1164627330.db2.gz NWUNQJBIMWTILM-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)c3ccco3)CC2)ccc1F ZINC001406891657 1164870979 /nfs/dbraw/zinc/87/09/79/1164870979.db2.gz GVMOEMYIOJWSIA-UHFFFAOYSA-N 0 3 313.332 2.343 20 30 DEEDHN Cc1ccc(CN(C)CCCN(C)C(=O)[C@@H](C)C#N)c(C)n1 ZINC001407878825 1165362687 /nfs/dbraw/zinc/36/26/87/1165362687.db2.gz OROFAHYTLORMBS-ZDUSSCGKSA-N 0 3 302.422 2.138 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)C2CCCC2)CCOCC1 ZINC001408035684 1165441259 /nfs/dbraw/zinc/44/12/59/1165441259.db2.gz DPNLQMRQURFRGP-UHFFFAOYSA-N 0 3 300.830 2.184 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001417761534 1167195233 /nfs/dbraw/zinc/19/52/33/1167195233.db2.gz LKDONTMADYYYNE-GYSYKLTISA-N 0 3 307.344 2.109 20 30 DEEDHN CC1(C(=O)NC[C@@H](NCc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001417995243 1167351782 /nfs/dbraw/zinc/35/17/82/1167351782.db2.gz YEAWIQXGRIGANZ-MRXNPFEDSA-N 0 3 315.392 2.482 20 30 DEEDHN Cc1cc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)c(C)[nH]1 ZINC001418287051 1167549365 /nfs/dbraw/zinc/54/93/65/1167549365.db2.gz ZBHQRCUAFBCVFN-NSHDSACASA-N 0 3 316.430 2.473 20 30 DEEDHN CCc1ccccc1CN(C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001418453672 1167668564 /nfs/dbraw/zinc/66/85/64/1167668564.db2.gz KPYBQMVUBUWPJO-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001418647175 1167862725 /nfs/dbraw/zinc/86/27/25/1167862725.db2.gz JAIAFIDYFHTPOO-BETUJISGSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cnns1 ZINC001419068958 1168174676 /nfs/dbraw/zinc/17/46/76/1168174676.db2.gz PJZRDMVFMZHXHD-GHMZBOCLSA-N 0 3 314.842 2.263 20 30 DEEDHN CC[C@H](F)CNC[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001419600315 1168654725 /nfs/dbraw/zinc/65/47/25/1168654725.db2.gz LNEIGSSZBFIGRF-GXTWGEPZSA-N 0 3 306.385 2.219 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)c1ccc[nH]1)C(C)C ZINC001419855077 1168875336 /nfs/dbraw/zinc/87/53/36/1168875336.db2.gz CUWFYAXDWPDLLE-GFCCVEGCSA-N 0 3 314.227 2.267 20 30 DEEDHN CC(C)[C@H](CNC(=O)C1CC1)NCc1ccc(C#N)cc1F ZINC001419871192 1168884828 /nfs/dbraw/zinc/88/48/28/1168884828.db2.gz UMOKTQALPLLKLW-INIZCTEOSA-N 0 3 303.381 2.338 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1cscn1 ZINC001420270924 1169305387 /nfs/dbraw/zinc/30/53/87/1169305387.db2.gz GFSRDZWRFRFNPS-SNVBAGLBSA-N 0 3 318.377 2.062 20 30 DEEDHN COc1cc(CN(C)C[C@@H](C)NC(=O)[C@H](C)C#N)ccc1C ZINC001420535826 1169741806 /nfs/dbraw/zinc/74/18/06/1169741806.db2.gz HDDLPMPXTCOGPK-ZIAGYGMSSA-N 0 3 303.406 2.100 20 30 DEEDHN Cc1cccc(CN2CC[C@@H](Nc3cnc(C#N)c(C#N)n3)C2)c1 ZINC001421204784 1171588637 /nfs/dbraw/zinc/58/86/37/1171588637.db2.gz MCZGWQGUMKBKDK-OAHLLOKOSA-N 0 3 318.384 2.215 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2CCCCO2)CCCC1 ZINC001421508038 1171823826 /nfs/dbraw/zinc/82/38/26/1171823826.db2.gz ZWLDZUCCVDGXMD-ZDUSSCGKSA-N 0 3 300.830 2.327 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)c1cnn(C)c1)C1CC1 ZINC001421568368 1171851572 /nfs/dbraw/zinc/85/15/72/1171851572.db2.gz IIROTTOZMCJZCL-MLGOLLRUSA-N 0 3 324.856 2.151 20 30 DEEDHN Cc1cncc(CNCc2ccc(CNC(=O)[C@@H](C)C#N)cc2)c1 ZINC001421616295 1171869224 /nfs/dbraw/zinc/86/92/24/1171869224.db2.gz DUTNREWGMJDVBG-HNNXBMFYSA-N 0 3 322.412 2.456 20 30 DEEDHN CO[C@@H](C(=O)NC[C@@H](C)CNCc1ccccc1C#N)C(C)C ZINC001421727990 1171937019 /nfs/dbraw/zinc/93/70/19/1171937019.db2.gz UPEFJZNQEWMOSK-WMLDXEAASA-N 0 3 317.433 2.071 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001422149916 1172347748 /nfs/dbraw/zinc/34/77/48/1172347748.db2.gz PIVZEFTYTBIVGF-NSHDSACASA-N 0 3 312.797 2.107 20 30 DEEDHN CC(C)C[C@H]1CN(C)CCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001422291512 1172459461 /nfs/dbraw/zinc/45/94/61/1172459461.db2.gz JQLLLCPNRLDMQW-ZWKOTPCHSA-N 0 3 301.434 2.254 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001422892455 1172898962 /nfs/dbraw/zinc/89/89/62/1172898962.db2.gz GKKGBVULJNYEFL-MQMHXKEQSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001422906469 1172914382 /nfs/dbraw/zinc/91/43/82/1172914382.db2.gz VBIGJGXGRCPMHG-AVGNSLFASA-N 0 3 322.840 2.067 20 30 DEEDHN CCCC(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC001422967750 1172983157 /nfs/dbraw/zinc/98/31/57/1172983157.db2.gz UBVSELGXXILVRA-MRXNPFEDSA-N 0 3 303.381 2.482 20 30 DEEDHN Cc1cnoc1C(=O)N(C)C[C@H](C)NCc1ccc(C#N)s1 ZINC001423142953 1173113992 /nfs/dbraw/zinc/11/39/92/1173113992.db2.gz DFGBTWCZVJYGGP-NSHDSACASA-N 0 3 318.402 2.167 20 30 DEEDHN Cc1cnoc1C(=O)N(C)C[C@@H](C)NCc1ccc(C#N)s1 ZINC001423142951 1173114136 /nfs/dbraw/zinc/11/41/36/1173114136.db2.gz DFGBTWCZVJYGGP-LLVKDONJSA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)c1ccc[nH]1 ZINC001424563102 1173833825 /nfs/dbraw/zinc/83/38/25/1173833825.db2.gz XJIQCRTXHUFBGS-JTQLQIEISA-N 0 3 300.200 2.021 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)Cc1ccc(OCC#N)cc1 ZINC001424979005 1174077831 /nfs/dbraw/zinc/07/78/31/1174077831.db2.gz LAYGARXXHIZVIG-JKIFEVAISA-N 0 3 315.417 2.181 20 30 DEEDHN C=C(Cl)CN1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001425313679 1174284109 /nfs/dbraw/zinc/28/41/09/1174284109.db2.gz WKODZYYFTZFYRV-ZIAGYGMSSA-N 0 3 315.889 2.152 20 30 DEEDHN C=C(Cl)CN1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001425384056 1174296099 /nfs/dbraw/zinc/29/60/99/1174296099.db2.gz MSKQCBMJXDLHOT-UHFFFAOYSA-N 0 3 313.873 2.004 20 30 DEEDHN COc1ccc(C)cc1CN[C@@H](C)CN(C)C(=O)[C@H](C)C#N ZINC001425546297 1174363532 /nfs/dbraw/zinc/36/35/32/1174363532.db2.gz MGOPTSHMYSVLEG-KGLIPLIRSA-N 0 3 303.406 2.100 20 30 DEEDHN CCN1C[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001434385498 1178435538 /nfs/dbraw/zinc/43/55/38/1178435538.db2.gz AGXPMAZADIIXEA-DLBZAZTESA-N 0 3 324.428 2.087 20 30 DEEDHN CC[C@@H](F)CN(C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001436835495 1179272134 /nfs/dbraw/zinc/27/21/34/1179272134.db2.gz FYYDDWCJOSDCEQ-UKRRQHHQSA-N 0 3 320.412 2.418 20 30 DEEDHN Cc1cnccc1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001437137849 1179470277 /nfs/dbraw/zinc/47/02/77/1179470277.db2.gz UUIHBLKYCPDRAS-GFCCVEGCSA-N 0 3 314.414 2.231 20 30 DEEDHN CS[C@@H](C)C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001438475441 1180474746 /nfs/dbraw/zinc/47/47/46/1180474746.db2.gz KTTICKSKASFYCL-OLZOCXBDSA-N 0 3 305.447 2.152 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)C(C)C ZINC001438805019 1180817589 /nfs/dbraw/zinc/81/75/89/1180817589.db2.gz ABZNPQORZVMZNJ-SWLSCSKDSA-N 0 3 324.856 2.313 20 30 DEEDHN CC(C)OCCC(=O)N[C@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001439094786 1180881481 /nfs/dbraw/zinc/88/14/81/1180881481.db2.gz ULUGBESYZLHPBK-CYBMUJFWSA-N 0 3 321.396 2.107 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)c1ccco1 ZINC001439184905 1180919047 /nfs/dbraw/zinc/91/90/47/1180919047.db2.gz NDRAYXMBKLUNNB-LBPRGKRZSA-N 0 3 313.357 2.068 20 30 DEEDHN Cc1nscc1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001439209453 1180939571 /nfs/dbraw/zinc/93/95/71/1180939571.db2.gz MZAZUBPPWPACFI-VIFPVBQESA-N 0 3 320.443 2.293 20 30 DEEDHN Cc1ccc(C)c(OCCN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c1 ZINC001439308997 1181009876 /nfs/dbraw/zinc/00/98/76/1181009876.db2.gz FIZUXAPYYIJSLP-JKSUJKDBSA-N 0 3 317.433 2.278 20 30 DEEDHN COC[C@@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001440306617 1181439795 /nfs/dbraw/zinc/43/97/95/1181439795.db2.gz KCELQFUXGIGXOK-GFCCVEGCSA-N 0 3 321.446 2.031 20 30 DEEDHN CCOCC(=O)N(C)CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001440409580 1181492263 /nfs/dbraw/zinc/49/22/63/1181492263.db2.gz FWOOIOMFZZYXAW-UHFFFAOYSA-N 0 3 321.396 2.014 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001440872039 1181738192 /nfs/dbraw/zinc/73/81/92/1181738192.db2.gz CHUNYJSMXICZMP-YPMHNXCESA-N 0 3 302.846 2.238 20 30 DEEDHN C[C@H](CNC(=O)Cc1ccoc1)N(C)Cc1ccc(C#N)cc1 ZINC001440913744 1181769253 /nfs/dbraw/zinc/76/92/53/1181769253.db2.gz WFSFPIQEKMWKLJ-CQSZACIVSA-N 0 3 311.385 2.330 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cccc2nccn21)C1CC1 ZINC001441219158 1181899836 /nfs/dbraw/zinc/89/98/36/1181899836.db2.gz YPSLPVXOOQZYKM-CYBMUJFWSA-N 0 3 318.808 2.185 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001441452033 1182001940 /nfs/dbraw/zinc/00/19/40/1182001940.db2.gz AIJIBAJFBFWPAV-TVYUQYBPSA-N 0 3 309.772 2.376 20 30 DEEDHN CC(C)[C@@H](F)C(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001441500361 1182026327 /nfs/dbraw/zinc/02/63/27/1182026327.db2.gz YESVMMQTVMJXNA-IJEWVQPXSA-N 0 3 321.371 2.428 20 30 DEEDHN Cc1ncsc1CCN(C)CCN(C(=O)[C@@H](C)C#N)C(C)C ZINC001442099146 1182319395 /nfs/dbraw/zinc/31/93/95/1182319395.db2.gz GSTHPXMKBHYEPC-ZDUSSCGKSA-N 0 3 322.478 2.323 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1ccnc2ccncc21 ZINC001442283225 1182404717 /nfs/dbraw/zinc/40/47/17/1182404717.db2.gz BLYDPJFJMSBJJJ-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN CCCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(C)nc1C ZINC001442921231 1182800019 /nfs/dbraw/zinc/80/00/19/1182800019.db2.gz OIOFUKWZQJUBFF-CYBMUJFWSA-N 0 3 302.422 2.186 20 30 DEEDHN C[C@H](NCCN(C)C(=O)c1ccc(C#N)[nH]1)c1ccccc1F ZINC001443100676 1182847684 /nfs/dbraw/zinc/84/76/84/1182847684.db2.gz LCGAIBLNSUFBPC-LBPRGKRZSA-N 0 3 314.364 2.448 20 30 DEEDHN N#Cc1ccc(CN2CC[C@H](CCNC(=O)C3CC3)C2)s1 ZINC001443217352 1182883764 /nfs/dbraw/zinc/88/37/64/1182883764.db2.gz ZCGHWCXIQPETCZ-LBPRGKRZSA-N 0 3 303.431 2.358 20 30 DEEDHN CC[C@@H](CNC(=O)C[C@H](C)OC)NCc1ccc(C#N)s1 ZINC001443901827 1183194533 /nfs/dbraw/zinc/19/45/33/1183194533.db2.gz CFHZDFSYVDELRF-RYUDHWBXSA-N 0 3 309.435 2.029 20 30 DEEDHN CCOC1CC(C(=O)N[C@H](C)CNCc2ccc(C#N)s2)C1 ZINC001445361981 1183848432 /nfs/dbraw/zinc/84/84/32/1183848432.db2.gz IZUJIDROCPYTIU-PNESKVBLSA-N 0 3 321.446 2.029 20 30 DEEDHN CCC1(C(=O)N[C@H](C)CNCc2cc(C#N)ccc2OC)CC1 ZINC001445426687 1183868680 /nfs/dbraw/zinc/86/86/80/1183868680.db2.gz IDXRKKBEDKBKDH-CYBMUJFWSA-N 0 3 315.417 2.351 20 30 DEEDHN Cc1ccc(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)cn1 ZINC001445518104 1183892043 /nfs/dbraw/zinc/89/20/43/1183892043.db2.gz RQKGWNZQBUJSLM-LBPRGKRZSA-N 0 3 314.414 2.231 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001445689908 1183981972 /nfs/dbraw/zinc/98/19/72/1183981972.db2.gz QCIMENJHBOKFGE-LBPRGKRZSA-N 0 3 314.364 2.276 20 30 DEEDHN COc1ccc(CN(C)C[C@H](C)NC(=O)[C@H](C)C#N)cc1Cl ZINC001445691127 1183983099 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C=CCN(C)CCN(CC)C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001448869806 1185443502 /nfs/dbraw/zinc/44/35/02/1185443502.db2.gz BSDFQCYIKJOWKQ-HNNXBMFYSA-N 0 3 320.408 2.343 20 30 DEEDHN C=CCOCCN1CCC(N(C)C(=O)c2scnc2C)CC1 ZINC001479883967 1151048431 /nfs/dbraw/zinc/04/84/31/1151048431.db2.gz PZNDXQHXRBHZKC-UHFFFAOYSA-N 0 3 323.462 2.191 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCOCC(F)(F)C(F)F ZINC001347337350 1151057843 /nfs/dbraw/zinc/05/78/43/1151057843.db2.gz HIPZUYMQYRSULD-VIFPVBQESA-N 0 3 321.274 2.386 20 30 DEEDHN N#CCc1ccnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164733943 720413046 /nfs/dbraw/zinc/41/30/46/720413046.db2.gz QXNCCOGUPAXGDN-QZTJIDSGSA-N 0 3 319.412 2.396 20 30 DEEDHN C=CCOCCCC(=O)N1C[C@H](NCc2cncs2)C[C@@H]1C ZINC001331969117 1149801847 /nfs/dbraw/zinc/80/18/47/1149801847.db2.gz KDVQTWFDSSSLPP-UONOGXRCSA-N 0 3 323.462 2.205 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CCc3csc(C)n3)CCC[C@H]12 ZINC001332109325 1149820653 /nfs/dbraw/zinc/82/06/53/1149820653.db2.gz GBUMUXRHPDAZCK-RDJZCZTQSA-N 0 3 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C#CCN1CC[C@H](NC(=O)Cc2ccc3cnccc3c2)[C@H]1CC ZINC001087655321 779397047 /nfs/dbraw/zinc/39/70/47/779397047.db2.gz VGYQZWXSGNFRBX-RBUKOAKNSA-N 0 3 321.424 2.380 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2c(F)cccc2F)[C@H]1CC ZINC001087705859 779417402 /nfs/dbraw/zinc/41/74/02/779417402.db2.gz NBEVXCDZDIILNM-DLBZAZTESA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@H]1CC ZINC001087845791 779482144 /nfs/dbraw/zinc/48/21/44/779482144.db2.gz ROXXRAHCMACBFG-HRCADAONSA-N 0 3 304.438 2.216 20 30 DEEDHN CN(C)C1(C)CN(Cc2ccc(Br)cc2C#N)C1 ZINC001141814400 779494502 /nfs/dbraw/zinc/49/45/02/779494502.db2.gz BJUNFVJWPXVTBZ-UHFFFAOYSA-N 0 3 308.223 2.457 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3sccc3C)C[C@@H]2C1 ZINC001087868378 779502038 /nfs/dbraw/zinc/50/20/38/779502038.db2.gz DLPAXNKETKMOIX-CABCVRRESA-N 0 3 302.443 2.474 20 30 DEEDHN CC[C@H](F)CN1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925361 779549013 /nfs/dbraw/zinc/54/90/13/779549013.db2.gz 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/nfs/dbraw/zinc/89/46/60/779894660.db2.gz FJVRGCRETODUIF-UONOGXRCSA-N 0 3 300.830 2.136 20 30 DEEDHN Cc1cccnc1CN[C@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088281727 779902949 /nfs/dbraw/zinc/90/29/49/779902949.db2.gz SBMORTGNOHNMPZ-CVEARBPZSA-N 0 3 314.433 2.411 20 30 DEEDHN CN1c2ccccc2[C@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001144079665 790747444 /nfs/dbraw/zinc/74/74/44/790747444.db2.gz APZOKMZZMFSVJE-LJQANCHMSA-N 0 3 318.380 2.073 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ncccn2)C1 ZINC001088403221 780074586 /nfs/dbraw/zinc/07/45/86/780074586.db2.gz NLYSRDVZUVZDGC-CYBMUJFWSA-N 0 3 308.813 2.204 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001073665520 790777262 /nfs/dbraw/zinc/77/72/62/790777262.db2.gz YCRRDLXENCYATJ-HNNXBMFYSA-N 0 3 306.406 2.239 20 30 DEEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CN(CC)CCCO1 ZINC001073664400 790777862 /nfs/dbraw/zinc/77/78/62/790777862.db2.gz FSHCKIVNTRJBMH-HNNXBMFYSA-N 0 3 318.417 2.092 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)[C@@H]2C1 ZINC001075884160 780329466 /nfs/dbraw/zinc/32/94/66/780329466.db2.gz MFJTXQWXMVWCCG-KBXCAEBGSA-N 0 3 322.412 2.352 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2csc([C@@H](C)OC)n2)[C@H]1C ZINC001088566498 780491662 /nfs/dbraw/zinc/49/16/62/780491662.db2.gz QMEGWAOXVINOJV-UPJWGTAASA-N 0 3 321.446 2.066 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 ZINC001211959244 780527000 /nfs/dbraw/zinc/52/70/00/780527000.db2.gz DNACKNLRBCHKTJ-HUUCEWRRSA-N 0 3 323.437 2.382 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001073700468 790800610 /nfs/dbraw/zinc/80/06/10/790800610.db2.gz NJGRHFWEUNKSBO-KRWDZBQOSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(OC)c(F)c3)[C@@H]2C1 ZINC001075909298 780543272 /nfs/dbraw/zinc/54/32/72/780543272.db2.gz SWVCIQZPFZSVDY-GOEBONIOSA-N 0 3 316.376 2.004 20 30 DEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001073709775 790806243 /nfs/dbraw/zinc/80/62/43/790806243.db2.gz HPUIIRVZTMFFLI-XLAORIBOSA-N 0 3 318.461 2.043 20 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ZINC001126960658 781491607 /nfs/dbraw/zinc/49/16/07/781491607.db2.gz QFBNBQYMSWJGEN-JKSUJKDBSA-N 0 3 303.381 2.292 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001077302746 781543262 /nfs/dbraw/zinc/54/32/62/781543262.db2.gz GPQXWUGKODHTOW-QZTJIDSGSA-N 0 3 316.445 2.090 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnc3ccccn23)C1 ZINC001091106101 790910137 /nfs/dbraw/zinc/91/01/37/790910137.db2.gz HKBFYLHYCIRGML-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000947809776 783235734 /nfs/dbraw/zinc/23/57/34/783235734.db2.gz FVULKKAXVOWLNB-KGLIPLIRSA-N 0 3 318.465 2.486 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cn2ncc3ccccc32)C[C@@H]1C ZINC000947820526 783238414 /nfs/dbraw/zinc/23/84/14/783238414.db2.gz MDIHQNWOJCZZJO-RDJZCZTQSA-N 0 3 324.428 2.029 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cccc3nccnc32)C[C@@H]1C ZINC000947857568 783249797 /nfs/dbraw/zinc/24/97/97/783249797.db2.gz NSVSIMRJPNYUCT-GJZGRUSLSA-N 0 3 322.412 2.236 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnoc2C2CC2)C[C@H]1C ZINC000947887448 783259134 /nfs/dbraw/zinc/25/91/34/783259134.db2.gz WJELRZKARXFHMN-TZMCWYRMSA-N 0 3 301.390 2.158 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C[C@H]1C ZINC000947899477 783264314 /nfs/dbraw/zinc/26/43/14/783264314.db2.gz JWZRONFYFUBPKU-ZIAGYGMSSA-N 0 3 303.406 2.404 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ocnc1C ZINC001089620672 783287495 /nfs/dbraw/zinc/28/74/95/783287495.db2.gz CDHHAWUPKROVIY-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001083763573 783297585 /nfs/dbraw/zinc/29/75/85/783297585.db2.gz RGNDKMDTYWAEEN-SJORKVTESA-N 0 3 318.461 2.395 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000948053713 783304613 /nfs/dbraw/zinc/30/46/13/783304613.db2.gz VANZWXGYGYJBTG-SMDDNHRTSA-N 0 3 313.405 2.035 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc3n(c2)CCCC3)C[C@@H]1C ZINC000948105313 783323274 /nfs/dbraw/zinc/32/32/74/783323274.db2.gz 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C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089779676 783427884 /nfs/dbraw/zinc/42/78/84/783427884.db2.gz XZEATGKGQKLCQF-OWLYRPNTSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000948373313 783443850 /nfs/dbraw/zinc/44/38/50/783443850.db2.gz MFAGIDQBAIMWCF-KRWDZBQOSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC000948389806 783450202 /nfs/dbraw/zinc/45/02/02/783450202.db2.gz YCLFBSOVIFPTPW-FGTMMUONSA-N 0 3 311.429 2.131 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2nccc3cccnc32)CC1 ZINC000948439598 783466133 /nfs/dbraw/zinc/46/61/33/783466133.db2.gz SLIMBGAQISYIHJ-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2c[nH]nc2CCC)CC1 ZINC000948574281 783508514 /nfs/dbraw/zinc/50/85/14/783508514.db2.gz CYBQYGDCFONOMA-OAHLLOKOSA-N 0 3 316.449 2.312 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc3ccncc3n2)CC1 ZINC000948621877 783533215 /nfs/dbraw/zinc/53/32/15/783533215.db2.gz XERJRGYNYOJYHB-MRXNPFEDSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001099957881 783614768 /nfs/dbraw/zinc/61/47/68/783614768.db2.gz XPSFRKOXZDGWCC-SJORKVTESA-N 0 3 306.450 2.088 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)[nH]c1=O ZINC001085345951 783645599 /nfs/dbraw/zinc/64/55/99/783645599.db2.gz YYCIFZIRZCOVMG-ZIAGYGMSSA-N 0 3 323.824 2.479 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(CC)nn1C ZINC001085374000 783661106 /nfs/dbraw/zinc/66/11/06/783661106.db2.gz SUOFHJRQNVUENL-ZIAGYGMSSA-N 0 3 324.856 2.366 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC000966672320 783727123 /nfs/dbraw/zinc/72/71/23/783727123.db2.gz VQABBYBUGMWOPR-YPMHNXCESA-N 0 3 322.840 2.089 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnc3ccccc3n2)C1 ZINC000966691877 783733728 /nfs/dbraw/zinc/73/37/28/783733728.db2.gz GFJBMKHWSVVDQZ-KSSFIOAISA-N 0 3 322.412 2.093 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001091175157 790970570 /nfs/dbraw/zinc/97/05/70/790970570.db2.gz UKROFAYMSXMPIC-UHFFFAOYSA-N 0 3 310.829 2.213 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC000966903348 783806751 /nfs/dbraw/zinc/80/67/51/783806751.db2.gz FJLUXDFFOSOJEM-GDBMZVCRSA-N 0 3 318.465 2.329 20 30 DEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC000966908646 783814874 /nfs/dbraw/zinc/81/48/74/783814874.db2.gz UCLBNWRZVZHVNB-SMDDNHRTSA-N 0 3 309.360 2.376 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001066281585 783862806 /nfs/dbraw/zinc/86/28/06/783862806.db2.gz ZCYOWDAZJMUMIB-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(CC(C)C)n1 ZINC001085596227 783864358 /nfs/dbraw/zinc/86/43/58/783864358.db2.gz XOCAKSGASBIPTI-CQSZACIVSA-N 0 3 304.438 2.331 20 30 DEEDHN CC[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 ZINC000967255212 783910995 /nfs/dbraw/zinc/91/09/95/783910995.db2.gz FJUUHJHEZCFZCF-CZUORRHYSA-N 0 3 315.417 2.303 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nncc3ccccc32)C1 ZINC000967339527 783957746 /nfs/dbraw/zinc/95/77/46/783957746.db2.gz SPBQWOJGRPGNBB-PBHICJAKSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001085692529 783977614 /nfs/dbraw/zinc/97/76/14/783977614.db2.gz KIDURNTZBDEJOL-CYBMUJFWSA-N 0 3 302.422 2.011 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001085691583 783977651 /nfs/dbraw/zinc/97/76/51/783977651.db2.gz KWGRZLYUSZJJSL-CYBMUJFWSA-N 0 3 304.438 2.430 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001085726272 784011452 /nfs/dbraw/zinc/01/14/52/784011452.db2.gz UADNUGXVFVSDSR-OAHLLOKOSA-N 0 3 303.406 2.072 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnc2n1CCCC2 ZINC001085782147 784071693 /nfs/dbraw/zinc/07/16/93/784071693.db2.gz OGOHGTJNQDXBPX-OAHLLOKOSA-N 0 3 316.449 2.332 20 30 DEEDHN C[C@@H](C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1)C1CC1 ZINC000968329725 784292182 /nfs/dbraw/zinc/29/21/82/784292182.db2.gz MLUUXFPURSWWFQ-MLGOLLRUSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968346688 784306405 /nfs/dbraw/zinc/30/64/05/784306405.db2.gz ZVMZPNSGNYOAMM-XJKSGUPXSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000968346687 784307844 /nfs/dbraw/zinc/30/78/44/784307844.db2.gz ZVMZPNSGNYOAMM-CZUORRHYSA-N 0 3 318.392 2.298 20 30 DEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3=CCCC3)C2)cc1F ZINC000968400730 784358117 /nfs/dbraw/zinc/35/81/17/784358117.db2.gz GMNBROAKGCNCCW-MRXNPFEDSA-N 0 3 313.376 2.498 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC000968423449 784377908 /nfs/dbraw/zinc/37/79/08/784377908.db2.gz SWZFZXFPUVCBCO-FZMZJTMJSA-N 0 3 323.824 2.029 20 30 DEEDHN CC1(C)C[C@H]1C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000968429505 784381204 /nfs/dbraw/zinc/38/12/04/784381204.db2.gz YELJXVYCZAJREG-CABCVRRESA-N 0 3 315.392 2.434 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC000968431106 784382075 /nfs/dbraw/zinc/38/20/75/784382075.db2.gz IZNWOZFSLAVHEC-ZBFHGGJFSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC000968498274 784425413 /nfs/dbraw/zinc/42/54/13/784425413.db2.gz YYRPJSCCXFAILN-ZBFHGGJFSA-N 0 3 316.449 2.007 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(CCC)CC[C@H]1C ZINC000968520559 784442071 /nfs/dbraw/zinc/44/20/71/784442071.db2.gz KOJMQKAASGKJQX-CABCVRRESA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC000968524931 784445186 /nfs/dbraw/zinc/44/51/86/784445186.db2.gz JKODQKHPYRCHIN-YOEHRIQHSA-N 0 3 316.449 2.236 20 30 DEEDHN COCCCN1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171222941 791031599 /nfs/dbraw/zinc/03/15/99/791031599.db2.gz JXSCLMSQMQYADV-INIZCTEOSA-N 0 3 301.434 2.143 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CCC)on2)C1 ZINC001086242492 784515914 /nfs/dbraw/zinc/51/59/14/784515914.db2.gz PUYRDDNSKOCKDY-TXEJJXNPSA-N 0 3 311.813 2.478 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001086248063 784520153 /nfs/dbraw/zinc/52/01/53/784520153.db2.gz OPQFIYJXAWSKMJ-XQLPTFJDSA-N 0 3 314.857 2.429 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968687753 784540760 /nfs/dbraw/zinc/54/07/60/784540760.db2.gz GIHZYKAQVJBXBR-KHQOANHYSA-N 0 3 300.446 2.128 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001086287142 784545404 /nfs/dbraw/zinc/54/54/04/784545404.db2.gz NEDPHFGUEJKMDO-MJBXVCDLSA-N 0 3 312.841 2.040 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001086298042 784556613 /nfs/dbraw/zinc/55/66/13/784556613.db2.gz DMBXZSZUOSEAHS-UIBBOPPKSA-N 0 3 315.392 2.338 20 30 DEEDHN C=CCCN1CCCCC[C@@H]1CNC(=O)c1snnc1C ZINC000968750307 784571150 /nfs/dbraw/zinc/57/11/50/784571150.db2.gz KIZUGMWRDWLGJB-CYBMUJFWSA-N 0 3 308.451 2.397 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC000968857395 784620954 /nfs/dbraw/zinc/62/09/54/784620954.db2.gz XMMCQVXAYBECHC-OAHLLOKOSA-N 0 3 302.422 2.336 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC000968857394 784621703 /nfs/dbraw/zinc/62/17/03/784621703.db2.gz XMMCQVXAYBECHC-HNNXBMFYSA-N 0 3 302.422 2.336 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)nnc1C ZINC000968871823 784631261 /nfs/dbraw/zinc/63/12/61/784631261.db2.gz ZJJWGXJDMKXANS-HNNXBMFYSA-N 0 3 302.422 2.254 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001086380612 784634260 /nfs/dbraw/zinc/63/42/60/784634260.db2.gz YAVABMHCBSMXHF-JOCQHMNTSA-N 0 3 324.856 2.489 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC000968927233 784653820 /nfs/dbraw/zinc/65/38/20/784653820.db2.gz WFKFGXGNSBSLSV-MRXNPFEDSA-N 0 3 302.393 2.317 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC000968949535 784666311 /nfs/dbraw/zinc/66/63/11/784666311.db2.gz OEFCRQRLHUVWST-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001091228762 791048109 /nfs/dbraw/zinc/04/81/09/791048109.db2.gz QBSGHNJUADOCGR-UHFFFAOYSA-N 0 3 318.755 2.198 20 30 DEEDHN C=CCCn1cc(C(=O)NC[C@H]2CCCCCN2CC=C)nn1 ZINC000969061755 784709899 /nfs/dbraw/zinc/70/98/99/784709899.db2.gz DOACSCBAAONTME-OAHLLOKOSA-N 0 3 317.437 2.015 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC000969093713 784723700 /nfs/dbraw/zinc/72/37/00/784723700.db2.gz WECUZUMTRZGADD-CQSZACIVSA-N 0 3 305.426 2.019 20 30 DEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC000969101074 784726539 /nfs/dbraw/zinc/72/65/39/784726539.db2.gz PLKVKCZBEHFUHV-HNNXBMFYSA-N 0 3 317.433 2.234 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC000969101075 784727771 /nfs/dbraw/zinc/72/77/71/784727771.db2.gz PLKVKCZBEHFUHV-OAHLLOKOSA-N 0 3 317.433 2.234 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001090411479 784740597 /nfs/dbraw/zinc/74/05/97/784740597.db2.gz QVLYIULXLPHDJM-CABCVRRESA-N 0 3 308.447 2.106 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001007363145 784898905 /nfs/dbraw/zinc/89/89/05/784898905.db2.gz JKJSLUKNEKGVRQ-IKGGRYGDSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001007374879 784901121 /nfs/dbraw/zinc/90/11/21/784901121.db2.gz NOFMQKHXUKAXFD-HNNXBMFYSA-N 0 3 316.449 2.458 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn(CCC)c2)C1 ZINC001091262411 791070598 /nfs/dbraw/zinc/07/05/98/791070598.db2.gz FTBFWLZAFFFKRO-UHFFFAOYSA-N 0 3 310.829 2.144 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1snnc1C(C)C ZINC001168974587 784993819 /nfs/dbraw/zinc/99/38/19/784993819.db2.gz NRFUKSRDZOIORJ-UHFFFAOYSA-N 0 3 302.831 2.124 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001007846737 785025921 /nfs/dbraw/zinc/02/59/21/785025921.db2.gz WPUOCSLDDOOWJO-OAHLLOKOSA-N 0 3 307.397 2.452 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnn3ccccc23)C1 ZINC001091283486 791076807 /nfs/dbraw/zinc/07/68/07/791076807.db2.gz MJUNRJXUXOQWID-UHFFFAOYSA-N 0 3 318.808 2.185 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001008252065 785151658 /nfs/dbraw/zinc/15/16/58/785151658.db2.gz PAYJOQWURZNZNA-GOEBONIOSA-N 0 3 312.413 2.400 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001008293625 785163399 /nfs/dbraw/zinc/16/33/99/785163399.db2.gz PIXAXHFMUMYPSV-HIFRSBDPSA-N 0 3 318.421 2.032 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2oc(CC)nc2C)C1 ZINC001091312844 791096166 /nfs/dbraw/zinc/09/61/66/791096166.db2.gz MIUWEBFKALIIAP-UHFFFAOYSA-N 0 3 311.813 2.396 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001008766976 785298698 /nfs/dbraw/zinc/29/86/98/785298698.db2.gz JITWSPGOIOJNOA-AWEZNQCLSA-N 0 3 323.396 2.158 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCN[C@@H](C)c1nncn1C ZINC001169706497 785317902 /nfs/dbraw/zinc/31/79/02/785317902.db2.gz SHBNHIHCEOOEMU-KBPBESRZSA-N 0 3 307.442 2.107 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1cn(CC)nn1 ZINC001169707223 785317989 /nfs/dbraw/zinc/31/79/89/785317989.db2.gz ZDWBYVYEWFYWFI-AWEZNQCLSA-N 0 3 307.442 2.029 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001169759549 785352959 /nfs/dbraw/zinc/35/29/59/785352959.db2.gz GJBHKHCXLHERKU-CYBMUJFWSA-N 0 3 311.451 2.110 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001009384970 785443972 /nfs/dbraw/zinc/44/39/72/785443972.db2.gz XETZKXGISLNRPV-MRXNPFEDSA-N 0 3 304.821 2.486 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001009641365 785497141 /nfs/dbraw/zinc/49/71/41/785497141.db2.gz HQHVGFBAZOXSJX-LRVUVFPRSA-N 0 3 314.351 2.323 20 30 DEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN([C@H]3CCc4ccccc43)C2)[nH]1 ZINC001010655988 785887915 /nfs/dbraw/zinc/88/79/15/785887915.db2.gz KUXYTDDZVRYNON-QAPCUYQASA-N 0 3 320.396 2.378 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)C2 ZINC001109538871 785922301 /nfs/dbraw/zinc/92/23/01/785922301.db2.gz XCKZEIGGUCTOBR-ADHGMGHFSA-N 0 3 318.461 2.347 20 30 DEEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnccn2)C1 ZINC001086572592 786383206 /nfs/dbraw/zinc/38/32/06/786383206.db2.gz FPFJQUSWXHKAHE-FUHWJXTLSA-N 0 3 322.412 2.251 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC001113063623 786386963 /nfs/dbraw/zinc/38/69/63/786386963.db2.gz KPNGRLZURPXZSH-DLBZAZTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)Cn2cncc2C)CC1 ZINC001113109034 786405343 /nfs/dbraw/zinc/40/53/43/786405343.db2.gz ODPHVYZSTZQYJN-UHFFFAOYSA-N 0 3 304.438 2.082 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001113139291 786415314 /nfs/dbraw/zinc/41/53/14/786415314.db2.gz KGXBXPNNAGUNQM-JKSUJKDBSA-N 0 3 318.465 2.413 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ncccc2OC)CC1 ZINC001113259860 786479982 /nfs/dbraw/zinc/47/99/82/786479982.db2.gz OHEQWDKSYYGAPU-HNNXBMFYSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCc2cc(C)on2)CC1 ZINC001113335978 786531018 /nfs/dbraw/zinc/53/10/18/786531018.db2.gz YVAQKTAFSOGXSA-CQSZACIVSA-N 0 3 305.422 2.415 20 30 DEEDHN C=CCCCCCN1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001113417635 786582400 /nfs/dbraw/zinc/58/24/00/786582400.db2.gz PEWMQDZYHHRLTF-INIZCTEOSA-N 0 3 318.465 2.479 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001113479142 786624453 /nfs/dbraw/zinc/62/44/53/786624453.db2.gz KRQZOQISYSAWBB-CQSZACIVSA-N 0 3 317.433 2.462 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001014658397 786687045 /nfs/dbraw/zinc/68/70/45/786687045.db2.gz KWKQFTXBYBZNQZ-CRAIPNDOSA-N 0 3 314.429 2.492 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001014814998 786762245 /nfs/dbraw/zinc/76/22/45/786762245.db2.gz LWXCVZOIMDTVRG-OAHLLOKOSA-N 0 3 318.417 2.013 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001015173413 786926693 /nfs/dbraw/zinc/92/66/93/786926693.db2.gz HLCHCZXREDFBFM-CVEARBPZSA-N 0 3 300.402 2.004 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(C)ccnc2OCC)C1 ZINC001015383638 787025904 /nfs/dbraw/zinc/02/59/04/787025904.db2.gz WMDZOEKUMAUDNI-CQSZACIVSA-N 0 3 303.406 2.169 20 30 DEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015392812 787031114 /nfs/dbraw/zinc/03/11/14/787031114.db2.gz QNSDCRLWGLZYJQ-JTQLQIEISA-N 0 3 317.311 2.464 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(OC)cc3)C[C@H]21 ZINC001114198931 787159645 /nfs/dbraw/zinc/15/96/45/787159645.db2.gz LBVLPHADPHCLCK-DZFIZOCASA-N 0 3 312.413 2.045 20 30 DEEDHN C#CCCCC(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001114198462 787159669 /nfs/dbraw/zinc/15/96/69/787159669.db2.gz CCRBLPGEZSMJMA-MNZLEMJZSA-N 0 3 314.404 2.218 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CCCCNCc1ocnc1C ZINC001170454227 787226778 /nfs/dbraw/zinc/22/67/78/787226778.db2.gz WOYARTSZTASAEA-DYVFJYSZSA-N 0 3 323.437 2.075 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)SC)C1 ZINC001130373167 787362361 /nfs/dbraw/zinc/36/23/61/787362361.db2.gz HFCIUJBRDZYWRM-GXTWGEPZSA-N 0 3 322.478 2.143 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCC(=C)C)C1 ZINC001130391989 787369181 /nfs/dbraw/zinc/36/91/81/787369181.db2.gz AKJJFSWLOANOGR-CQSZACIVSA-N 0 3 302.422 2.358 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)CSC)C1 ZINC001130368920 787369235 /nfs/dbraw/zinc/36/92/35/787369235.db2.gz UUSABWCDBYBYEF-STQMWFEESA-N 0 3 322.478 2.000 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)C=C)C1 ZINC001130409933 787379839 /nfs/dbraw/zinc/37/98/39/787379839.db2.gz YMKNJPVPAQJLGK-ZDUSSCGKSA-N 0 3 302.422 2.213 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)C=C)C1 ZINC001130409932 787379978 /nfs/dbraw/zinc/37/99/78/787379978.db2.gz YMKNJPVPAQJLGK-CYBMUJFWSA-N 0 3 302.422 2.213 20 30 DEEDHN CC(C)(C(=O)NCCNCc1cccc(C#N)c1)c1cccnc1 ZINC001130636535 787447898 /nfs/dbraw/zinc/44/78/98/787447898.db2.gz ASLMZKFAIGMIEY-UHFFFAOYSA-N 0 3 322.412 2.137 20 30 DEEDHN C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)CCCC)n1 ZINC001130877708 787494698 /nfs/dbraw/zinc/49/46/98/787494698.db2.gz DJSYICYUZKIONS-LSDHHAIUSA-N 0 3 320.437 2.287 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO[C@H]1C(=C)C)C2 ZINC001096138181 787522047 /nfs/dbraw/zinc/52/20/47/787522047.db2.gz KLUUKMAOHSYPPY-FPSMNIFISA-N 0 3 316.445 2.103 20 30 DEEDHN C[C@@H](Nc1ccc(C#C[Si](C)(C)C)cn1)[C@@H]1CNCCO1 ZINC001170558848 787609393 /nfs/dbraw/zinc/60/93/93/787609393.db2.gz RQQNTGVMIRLXIY-HIFRSBDPSA-N 0 3 303.482 2.099 20 30 DEEDHN C[C@H](CC(F)F)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001131450035 787623799 /nfs/dbraw/zinc/62/37/99/787623799.db2.gz MTCLSGOUCMXBFS-SNVBAGLBSA-N 0 3 313.323 2.194 20 30 DEEDHN C#CCCN1CC[C@]2(C1)CN(C(=O)CC(C)=C(C)C)C[C@H](C)O2 ZINC001131672920 787676662 /nfs/dbraw/zinc/67/66/62/787676662.db2.gz CPTUZIMBPMXGID-HKUYNNGSSA-N 0 3 318.461 2.448 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC(=C)C)C2)C1 ZINC001131658465 787680578 /nfs/dbraw/zinc/68/05/78/787680578.db2.gz UGMXZJOMEPXXAD-AEFFLSMTSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)CC=C)C[C@H](C)O2 ZINC001131687434 787683905 /nfs/dbraw/zinc/68/39/05/787683905.db2.gz AMDFQURBJZJAOJ-QFBILLFUSA-N 0 3 318.461 2.304 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)COC2CCCC2)CC[C@H]1C ZINC001131855711 787774552 /nfs/dbraw/zinc/77/45/52/787774552.db2.gz AWHUITLQAHJYHH-CVEARBPZSA-N 0 3 324.465 2.117 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(CCCOC(C)C)C1 ZINC001132021857 787882355 /nfs/dbraw/zinc/88/23/55/787882355.db2.gz QMRMWEDWSSQIOJ-DLBZAZTESA-N 0 3 308.466 2.430 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cc[nH]c2CC)CC[C@H]1C ZINC001132012943 787892657 /nfs/dbraw/zinc/89/26/57/787892657.db2.gz FDDLLWSDSVUDMR-HUUCEWRRSA-N 0 3 319.449 2.362 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(COC)CCCC2)CC[C@H]1C ZINC001132101383 787926720 /nfs/dbraw/zinc/92/67/20/787926720.db2.gz KLJVQSVTVVWZLW-CVEARBPZSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](C)N(CCOCC)C1 ZINC001132105234 787932985 /nfs/dbraw/zinc/93/29/85/787932985.db2.gz CZAGVUDOHGKNHO-JKSUJKDBSA-N 0 3 319.449 2.293 20 30 DEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)ns1)C2 ZINC001097097158 787978711 /nfs/dbraw/zinc/97/87/11/787978711.db2.gz JQDBQEWGEXMEPH-UPJWGTAASA-N 0 3 321.446 2.453 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCn2cccn2)C1 ZINC001132253186 787991254 /nfs/dbraw/zinc/99/12/54/787991254.db2.gz PJYZBYHWGOIZSY-HZPDHXFCSA-N 0 3 304.438 2.209 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001086680345 788044279 /nfs/dbraw/zinc/04/42/79/788044279.db2.gz NDFLIYLNCQVANO-WCQYABFASA-N 0 3 311.788 2.461 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)COCc2ccncc2)CC[C@@H]1C ZINC001132383656 788052380 /nfs/dbraw/zinc/05/23/80/788052380.db2.gz BVQGHKQGRUMCBM-DOTOQJQBSA-N 0 3 317.433 2.143 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CC)CCOCC2)CC[C@H]1C ZINC001132405845 788059977 /nfs/dbraw/zinc/05/99/77/788059977.db2.gz AOMUBSDPSOLLKM-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)COc2ccc(C)cc2)CC[C@H]1C ZINC001132469660 788088921 /nfs/dbraw/zinc/08/89/21/788088921.db2.gz UMRODJOLVDEJGX-SJORKVTESA-N 0 3 314.429 2.366 20 30 DEEDHN C#CCN1CCC[C@H](N(Cc2ccccn2)C(=O)[C@H](C)C#N)CC1 ZINC001132554525 788128824 /nfs/dbraw/zinc/12/88/24/788128824.db2.gz IBJUBEAJSIJPMS-AEFFLSMTSA-N 0 3 324.428 2.058 20 30 DEEDHN C#CCN1CC[C@@H](CN(Cc2scnc2C)C(=O)C(C)C)C1 ZINC001132558442 788129611 /nfs/dbraw/zinc/12/96/11/788129611.db2.gz MNOOYFYMHITYTN-OAHLLOKOSA-N 0 3 319.474 2.391 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001132653623 788151962 /nfs/dbraw/zinc/15/19/62/788151962.db2.gz PXQWCQJZRBOPIY-CQSZACIVSA-N 0 3 306.454 2.446 20 30 DEEDHN CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001132658694 788154008 /nfs/dbraw/zinc/15/40/08/788154008.db2.gz JTJLLARQBSDKMY-HUUCEWRRSA-N 0 3 300.402 2.103 20 30 DEEDHN C=C[C@H](CC)CC(=O)NCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC001132671535 788162055 /nfs/dbraw/zinc/16/20/55/788162055.db2.gz VFZRWYCAHFHQHI-JKSUJKDBSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nccn2CC)C1 ZINC001132697650 788171702 /nfs/dbraw/zinc/17/17/02/788171702.db2.gz SSDAOBQJGHUKNI-CVEARBPZSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](C)[C@@H](CNCc2cnns2)C1 ZINC001132865068 788212931 /nfs/dbraw/zinc/21/29/31/788212931.db2.gz HMHOVHZOMLEVSL-KBPBESRZSA-N 0 3 322.478 2.469 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)CC1 ZINC001097788274 788234973 /nfs/dbraw/zinc/23/49/73/788234973.db2.gz ATGYHDNFOJKCFL-SVGFKBNWSA-N 0 3 306.450 2.489 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001097858187 788252985 /nfs/dbraw/zinc/25/29/85/788252985.db2.gz LWTITRMUOUNMLY-DDBAPUKQSA-N 0 3 311.429 2.094 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)[nH]c1=O)C2 ZINC001097931030 788276178 /nfs/dbraw/zinc/27/61/78/788276178.db2.gz DKJJQCSLAHXKBU-YUELXQCFSA-N 0 3 301.390 2.007 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2Cc3ccccc32)c1 ZINC001133125300 788289301 /nfs/dbraw/zinc/28/93/01/788289301.db2.gz OXKNTJIKJXMHHS-GOSISDBHSA-N 0 3 305.381 2.104 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C(C)C)C2 ZINC001097952905 788292334 /nfs/dbraw/zinc/29/23/34/788292334.db2.gz HNDDISRGVBDQBE-OAGGEKHMSA-N 0 3 316.449 2.304 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cncc4[nH]ccc43)CC2)CC1 ZINC001000193890 788337418 /nfs/dbraw/zinc/33/74/18/788337418.db2.gz DGVGRHXQOKJWJP-UHFFFAOYSA-N 0 3 322.412 2.171 20 30 DEEDHN C=CCC1(C(=O)NCCNC[C@@H](O)c2ccccc2F)CCC1 ZINC001133398604 788398422 /nfs/dbraw/zinc/39/84/22/788398422.db2.gz FGLZPRZLRWFWEB-MRXNPFEDSA-N 0 3 320.408 2.311 20 30 DEEDHN CCCC1(C(=O)NCCNCc2ccc(C#N)c(F)c2)CC1 ZINC001133461555 788430735 /nfs/dbraw/zinc/43/07/35/788430735.db2.gz YDTJKXDXFIOUQJ-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN COCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133799879 788616851 /nfs/dbraw/zinc/61/68/51/788616851.db2.gz WULOGLOYHKRXMJ-CABCVRRESA-N 0 3 317.433 2.358 20 30 DEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1csnc1OC ZINC001133883606 788650036 /nfs/dbraw/zinc/65/00/36/788650036.db2.gz CZGAUPGAPPPXIA-VXGBXAGGSA-N 0 3 311.451 2.491 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)C[C@H](C)NCc1oc(CC)nc1C ZINC001133909860 788668275 /nfs/dbraw/zinc/66/82/75/788668275.db2.gz RVZJUNNBVNHSAT-QWHCGFSZSA-N 0 3 323.437 2.121 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001134054710 788731755 /nfs/dbraw/zinc/73/17/55/788731755.db2.gz PWVWCTBMXCWOKM-KFNAQCHYSA-N 0 3 324.371 2.323 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001134061934 788742045 /nfs/dbraw/zinc/74/20/45/788742045.db2.gz KNSADYVNXAEAMN-NEPJUHHUSA-N 0 3 314.838 2.198 20 30 DEEDHN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)n(C)n1 ZINC001134118475 788770120 /nfs/dbraw/zinc/77/01/20/788770120.db2.gz CJOFPFHBXDZNMX-GJZGRUSLSA-N 0 3 318.465 2.295 20 30 DEEDHN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccn(CC)n1 ZINC001134119273 788771315 /nfs/dbraw/zinc/77/13/15/788771315.db2.gz OITULYLVXUDFIS-JKSUJKDBSA-N 0 3 318.465 2.470 20 30 DEEDHN COc1cc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)(C)C)on1 ZINC001134329216 788875441 /nfs/dbraw/zinc/87/54/41/788875441.db2.gz LLGKYZJRAQMVKX-OLZOCXBDSA-N 0 3 321.421 2.106 20 30 DEEDHN Cc1cnc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)s1 ZINC001134344523 788887633 /nfs/dbraw/zinc/88/76/33/788887633.db2.gz GHLCDXQIKOCORF-CHWSQXEVSA-N 0 3 307.463 2.484 20 30 DEEDHN Cc1nc(C)c(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)o1 ZINC001134346068 788889837 /nfs/dbraw/zinc/88/98/37/788889837.db2.gz YSLQFJRYVGEWPR-OLZOCXBDSA-N 0 3 305.422 2.324 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCN[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001134428357 788916832 /nfs/dbraw/zinc/91/68/32/788916832.db2.gz JYGBQXDLNPTLTA-HNNXBMFYSA-N 0 3 323.481 2.108 20 30 DEEDHN C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001134418160 788921939 /nfs/dbraw/zinc/92/19/39/788921939.db2.gz GNKVLWQZFXCHIU-CHWSQXEVSA-N 0 3 315.421 2.411 20 30 DEEDHN COc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1C ZINC001135317798 789287403 /nfs/dbraw/zinc/28/74/03/789287403.db2.gz ZQXQIATYMQFJJG-UHFFFAOYSA-N 0 3 323.396 2.395 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001070426263 789323810 /nfs/dbraw/zinc/32/38/10/789323810.db2.gz RDDZGSAMGZLUEF-VNHYZAJKSA-N 0 3 302.422 2.047 20 30 DEEDHN COCC#CCNCCNC(=O)CCCCCc1cccs1 ZINC001135485474 789359691 /nfs/dbraw/zinc/35/96/91/789359691.db2.gz IOKRUWGFIYMCLH-UHFFFAOYSA-N 0 3 322.474 2.207 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001070865211 789471640 /nfs/dbraw/zinc/47/16/40/789471640.db2.gz MIKKPOYADCKWTF-QAPCUYQASA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](C[C@@H](C)NC(=O)c1ccncn1)NCc1ccccc1C#N ZINC001135747440 789476373 /nfs/dbraw/zinc/47/63/73/789476373.db2.gz QFMLQHJOERHTHW-ZIAGYGMSSA-N 0 3 323.400 2.035 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CCN(CC(=C)C)C2)C1 ZINC001071196899 789586364 /nfs/dbraw/zinc/58/63/64/789586364.db2.gz KFNSWLSTUKVYSU-MAUKXSAKSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1CC3(CC3)C1)C[C@H](C)O2 ZINC001071214316 789599337 /nfs/dbraw/zinc/59/93/37/789599337.db2.gz SSDJMJOIWIYIOH-KXBFYZLASA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cn3c(n2)CCCC3)CC[C@H]1C ZINC001071547641 789772295 /nfs/dbraw/zinc/77/22/95/789772295.db2.gz XEEUBAOKSLUOOM-HUUCEWRRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)CC[C@@H]1C ZINC001071576765 789789654 /nfs/dbraw/zinc/78/96/54/789789654.db2.gz PBHKEQKXKWGOPQ-QWRGUYRKSA-N 0 3 310.829 2.394 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2n[nH]c(CC)c2Cl)CC[C@H]1C ZINC001071576802 789789910 /nfs/dbraw/zinc/78/99/10/789789910.db2.gz PPRJQHKOLCGVCU-VXGBXAGGSA-N 0 3 322.840 2.232 20 30 DEEDHN C=CCN1C[C@H](NC(=O)c2[nH]nc(CC)c2Cl)CC[C@@H]1C ZINC001071576766 789789943 /nfs/dbraw/zinc/78/99/43/789789943.db2.gz PBHKEQKXKWGOPQ-WDEREUQCSA-N 0 3 310.829 2.394 20 30 DEEDHN C=CCN1C[C@@H](NC(=O)Cc2nc(C)sc2C)CC[C@H]1C ZINC001071608521 789812165 /nfs/dbraw/zinc/81/21/65/789812165.db2.gz AIKMLTICNRVDMF-RISCZKNCSA-N 0 3 307.463 2.458 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc3ncn(C)c32)CC[C@@H]1C ZINC001071623334 789821840 /nfs/dbraw/zinc/82/18/40/789821840.db2.gz VIZNZSIPIMZFQV-LSDHHAIUSA-N 0 3 324.428 2.179 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)nc2)CC[C@H]1C ZINC001071662169 789847238 /nfs/dbraw/zinc/84/72/38/789847238.db2.gz BPLYDFUGNRMWSO-UKRRQHHQSA-N 0 3 303.406 2.249 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(C3CC3)CCOCC2)CC[C@H]1C ZINC001071704888 789877530 /nfs/dbraw/zinc/87/75/30/789877530.db2.gz HFXRKGISJRTEHV-NVXWUHKLSA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc3c(c2)CCO3)CC[C@H]1C ZINC001071717604 789884961 /nfs/dbraw/zinc/88/49/61/789884961.db2.gz GSHKBBIECOACKL-RHSMWYFYSA-N 0 3 314.429 2.319 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3nonc3c2)CC[C@H]1C ZINC001071793082 789921952 /nfs/dbraw/zinc/92/19/52/789921952.db2.gz URRXGTIDIPRXTI-TZMCWYRMSA-N 0 3 314.389 2.382 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccn3cc(C)nc3c2)CC[C@H]1C ZINC001071828358 789933368 /nfs/dbraw/zinc/93/33/68/789933368.db2.gz NMYMMXWHCFOHPH-WBVHZDCISA-N 0 3 324.428 2.249 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C ZINC001071841578 789939498 /nfs/dbraw/zinc/93/94/98/789939498.db2.gz XVJQATPROYITQG-YOEHRIQHSA-N 0 3 312.413 2.228 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)CC[C@H]1C ZINC001071894295 789962740 /nfs/dbraw/zinc/96/27/40/789962740.db2.gz XWJFNMBVHUMUDE-NEPJUHHUSA-N 0 3 321.446 2.006 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cn2ncc3ccccc32)CC[C@H]1C ZINC001071904802 789967469 /nfs/dbraw/zinc/96/74/69/789967469.db2.gz PBDREXXDQPESPX-WBVHZDCISA-N 0 3 324.428 2.029 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn3c2CCCC3)CC[C@H]1C ZINC001071968001 789993381 /nfs/dbraw/zinc/99/33/81/789993381.db2.gz QPUBOQDDJXCQCJ-HUUCEWRRSA-N 0 3 316.449 2.378 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)CC[C@@H]1C ZINC001071983111 789997403 /nfs/dbraw/zinc/99/74/03/789997403.db2.gz WMMPDBPJZZHMKY-KBPBESRZSA-N 0 3 316.449 2.313 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nn(C)c3ccccc32)CC[C@@H]1C ZINC001072007108 790009432 /nfs/dbraw/zinc/00/94/32/790009432.db2.gz YJWBQNUTNZMNBQ-GJZGRUSLSA-N 0 3 324.428 2.179 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccccc2OC)CC[C@H]1C ZINC001072054723 790033795 /nfs/dbraw/zinc/03/37/95/790033795.db2.gz IPKHNQUQDYOVFR-GDBMZVCRSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CN2CCc3ccccc32)CC[C@H]1C ZINC001072076604 790042767 /nfs/dbraw/zinc/04/27/67/790042767.db2.gz RXQYTXTVPBEZRD-NVXWUHKLSA-N 0 3 313.445 2.204 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cnc(COC)s2)CC[C@H]1C ZINC001072113559 790057903 /nfs/dbraw/zinc/05/79/03/790057903.db2.gz XZDRABPBVJFNLE-CHWSQXEVSA-N 0 3 323.462 2.448 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cnc(COC)s2)CC[C@@H]1C ZINC001072113561 790058522 /nfs/dbraw/zinc/05/85/22/790058522.db2.gz XZDRABPBVJFNLE-QWHCGFSZSA-N 0 3 323.462 2.448 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2N(C)C)CC[C@@H]1C ZINC001072116770 790058831 /nfs/dbraw/zinc/05/88/31/790058831.db2.gz QSPWWUKBTZFNBR-JKSUJKDBSA-N 0 3 313.445 2.359 20 30 DEEDHN Cc1cc(F)ccc1CN1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072552723 790176155 /nfs/dbraw/zinc/17/61/55/790176155.db2.gz RZXBLXYUZMUHHD-AWEZNQCLSA-N 0 3 315.392 2.328 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3cc4ccccc4c(=O)[nH]3)C2)C1 ZINC001072814715 790257481 /nfs/dbraw/zinc/25/74/81/790257481.db2.gz LDVAVIZAAFTXRF-UHFFFAOYSA-N 0 3 323.396 2.274 20 30 DEEDHN CC(C)c1ocnc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001146863649 791382329 /nfs/dbraw/zinc/38/23/29/791382329.db2.gz CPZFDOOEGMRZAQ-UHFFFAOYSA-N 0 3 312.373 2.189 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@H](NC(=O)CN(CC)CC)C[C@H]1C ZINC001075005091 791426259 /nfs/dbraw/zinc/42/62/59/791426259.db2.gz ZAEUTQRSAVARPA-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](NC(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001075046562 791441555 /nfs/dbraw/zinc/44/15/55/791441555.db2.gz WNAUMADWGUHTGU-LSDHHAIUSA-N 0 3 323.481 2.179 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)C[C@@H](C)O2 ZINC001098583135 791657036 /nfs/dbraw/zinc/65/70/36/791657036.db2.gz KLWMEIDFZKWEJV-NCOADZHNSA-N 0 3 318.461 2.300 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)c1ccc(NC(=N)N)cc1 ZINC001148650573 791781382 /nfs/dbraw/zinc/78/13/82/791781382.db2.gz SUZHBUGZWRFGFN-UHFFFAOYSA-N 0 3 309.329 2.125 20 30 DEEDHN C=CCO[C@@H](C)C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001148881654 791817775 /nfs/dbraw/zinc/81/77/75/791817775.db2.gz VWEFSHZPQMUBCU-LBPRGKRZSA-N 0 3 320.355 2.064 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3OCC[C@H]3CC)C2)CC1 ZINC001086928037 791859339 /nfs/dbraw/zinc/85/93/39/791859339.db2.gz UAAWUVSISNJSIQ-BBWFWOEESA-N 0 3 318.461 2.138 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3nccs3)C2)CC1 ZINC001086949737 791861478 /nfs/dbraw/zinc/86/14/78/791861478.db2.gz IGXOVZNQUFAGAT-CQSZACIVSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc(OC)o3)C2)CC1 ZINC001086949681 791861636 /nfs/dbraw/zinc/86/16/36/791861636.db2.gz HFVIUWKPMZKQDL-CQSZACIVSA-N 0 3 316.401 2.238 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3nc(C)oc3C)C2)CC1 ZINC001086950912 791862483 /nfs/dbraw/zinc/86/24/83/791862483.db2.gz NUPYBWAYSYUQPM-ZDUSSCGKSA-N 0 3 315.417 2.241 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C4CC4)CCC3)C[C@]2(C)C1 ZINC001091886644 791893343 /nfs/dbraw/zinc/89/33/43/791893343.db2.gz SZGXNTUZWMZPTN-AEFFLSMTSA-N 0 3 300.446 2.370 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3F)C[C@]2(C)C1 ZINC001092043564 791921040 /nfs/dbraw/zinc/92/10/40/791921040.db2.gz WFQDLWUCSGIQPE-KDOFPFPSSA-N 0 3 300.377 2.161 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)Cc3ccccc3Cl)C[C@]2(C)C1 ZINC001092253510 791965669 /nfs/dbraw/zinc/96/56/69/791965669.db2.gz JYNRDIUNNLKANI-QAPCUYQASA-N 0 3 316.832 2.296 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2cnn3ccccc23)C1 ZINC001098879098 791973623 /nfs/dbraw/zinc/97/36/23/791973623.db2.gz JTBVXIXHLHGJET-LPHOPBHVSA-N 0 3 324.428 2.034 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001098899664 791978086 /nfs/dbraw/zinc/97/80/86/791978086.db2.gz FRCPBCACBMWQHG-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C)c2Cl)C1 ZINC001098903097 791979954 /nfs/dbraw/zinc/97/99/54/791979954.db2.gz AVJXVWOTFUBPIG-LRDDRELGSA-N 0 3 322.840 2.234 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3ncn(C)c32)C1 ZINC001098908411 791981027 /nfs/dbraw/zinc/98/10/27/791981027.db2.gz ATJISDXQDWCIFS-LIRRHRJNSA-N 0 3 324.428 2.344 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc(OCC)c2)C1 ZINC001099021993 792041828 /nfs/dbraw/zinc/04/18/28/792041828.db2.gz UWRYFWYJVKWZSV-YJBOKZPZSA-N 0 3 315.417 2.251 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)NC(=O)CC ZINC001099092266 792089035 /nfs/dbraw/zinc/08/90/35/792089035.db2.gz ANBZLDYCUIPTRA-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(COC)CC1 ZINC001099139949 792113061 /nfs/dbraw/zinc/11/30/61/792113061.db2.gz LVKJQJRESYEUMJ-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(F)cc2)C1 ZINC001099144674 792115314 /nfs/dbraw/zinc/11/53/14/792115314.db2.gz UASKESNVMBGSHE-LPHOPBHVSA-N 0 3 314.404 2.362 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001099154250 792118917 /nfs/dbraw/zinc/11/89/17/792118917.db2.gz XMAVPZLURBBAAI-KXBFYZLASA-N 0 3 324.428 2.413 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)COCC(F)F ZINC001099153021 792118955 /nfs/dbraw/zinc/11/89/55/792118955.db2.gz DJYQBRONSMKKGV-GFCCVEGCSA-N 0 3 304.381 2.061 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)c1cncnc1 ZINC001099198857 792136582 /nfs/dbraw/zinc/13/65/82/792136582.db2.gz GLWMNLQUPLPSMV-HOCLYGCPSA-N 0 3 316.449 2.373 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C(F)(F)F ZINC001099241807 792148498 /nfs/dbraw/zinc/14/84/98/792148498.db2.gz BBNGCGCCLRGSHM-CHWSQXEVSA-N 0 3 316.323 2.377 20 30 DEEDHN CC#CCN1C[C@@H](CNC(=O)c2nc(Cl)cs2)[C@H](C)C1 ZINC001092912374 792157616 /nfs/dbraw/zinc/15/76/16/792157616.db2.gz KTHXHNHESJWPAV-GHMZBOCLSA-N 0 3 311.838 2.118 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C(F)(F)F ZINC001099326624 792173334 /nfs/dbraw/zinc/17/33/34/792173334.db2.gz OXUDXEHCBXJXAN-NXEZZACHSA-N 0 3 319.352 2.312 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C[C@H]1O ZINC001099723364 792326573 /nfs/dbraw/zinc/32/65/73/792326573.db2.gz GVTWTKYORZNDQY-ZWKOTPCHSA-N 0 3 316.445 2.321 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C[C@@H]1O ZINC001099727400 792328643 /nfs/dbraw/zinc/32/86/43/792328643.db2.gz ORXOOQZYDHSSHU-SJORKVTESA-N 0 3 302.418 2.013 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)CCc2ccc(C)cc2)[C@H](O)C1 ZINC001099911400 792398998 /nfs/dbraw/zinc/39/89/98/792398998.db2.gz IRXLDJBIAIAWER-ZWKOTPCHSA-N 0 3 316.445 2.055 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCC1CC(NCc2ccns2)C1 ZINC001100166930 792495904 /nfs/dbraw/zinc/49/59/04/792495904.db2.gz VIUZACQUQSDSDS-IYXRBSQSSA-N 0 3 323.462 2.109 20 30 DEEDHN C=CCCC(=O)NCC1CC(NCc2cccnc2OC)C1 ZINC001100170373 792499170 /nfs/dbraw/zinc/49/91/70/792499170.db2.gz KWXOURJSDQOPOX-UHFFFAOYSA-N 0 3 303.406 2.041 20 30 DEEDHN C[C@@H](C#N)C(=O)NCC1CC(NCc2ccc(F)cc2F)C1 ZINC001100189847 792508019 /nfs/dbraw/zinc/50/80/19/792508019.db2.gz AZDSRJVVDXGGHX-IFQILLTASA-N 0 3 307.344 2.109 20 30 DEEDHN O=C(NCC1CC(NCC#Cc2ccccc2)C1)C1CC=CC1 ZINC001100212873 792520199 /nfs/dbraw/zinc/52/01/99/792520199.db2.gz ATHMSXLBBDOJPO-UHFFFAOYSA-N 0 3 308.425 2.489 20 30 DEEDHN C#CCCCCC(=O)NCC1CC(NCc2oc(C)nc2C)C1 ZINC001100259382 792548476 /nfs/dbraw/zinc/54/84/76/792548476.db2.gz JCMVOWHDFMHKDV-UHFFFAOYSA-N 0 3 317.433 2.469 20 30 DEEDHN C=C(C)CCC(=O)NCC1CC(N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001100373798 792619251 /nfs/dbraw/zinc/61/92/51/792619251.db2.gz KHBHTELHFROYOB-XGNXJENSSA-N 0 3 305.426 2.015 20 30 DEEDHN C=CCCCC(=O)NCC1CC(NCc2n[nH]c(C3CC3)n2)C1 ZINC001100623181 792754711 /nfs/dbraw/zinc/75/47/11/792754711.db2.gz BMCHTUFVZKQBLV-UHFFFAOYSA-N 0 3 317.437 2.023 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001100879764 792892725 /nfs/dbraw/zinc/89/27/25/792892725.db2.gz UPFOIZQCXJEQEI-IYXRBSQSSA-N 0 3 323.824 2.086 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)CCO[C@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101232051 793078988 /nfs/dbraw/zinc/07/89/88/793078988.db2.gz GJDOWFKEPBGVFX-LMMKCTJWSA-N 0 3 320.477 2.241 20 30 DEEDHN COCC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101407384 793146267 /nfs/dbraw/zinc/14/62/67/793146267.db2.gz YZPRTWQKQYMHHC-LMMKCTJWSA-N 0 3 320.477 2.099 20 30 DEEDHN C=CCC[C@@H](C)N1CC2(C1)C[C@H](NC(=O)CC)c1nccn12 ZINC001101599860 793263093 /nfs/dbraw/zinc/26/30/93/793263093.db2.gz YTCZVFDJHDDBOA-KGLIPLIRSA-N 0 3 302.422 2.220 20 30 DEEDHN C=CCC[C@H](C)N1CC2(C1)C[C@@H](NC(=O)C(C)C)c1nccn12 ZINC001101607156 793267609 /nfs/dbraw/zinc/26/76/09/793267609.db2.gz HXOXDEVUNMLHPO-LSDHHAIUSA-N 0 3 316.449 2.466 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2cc(OC)ccn2)C[C@H]1C ZINC001101804723 793384626 /nfs/dbraw/zinc/38/46/26/793384626.db2.gz YQXPNTZIKJSILY-HUUCEWRRSA-N 0 3 317.433 2.241 20 30 DEEDHN C=CCCC(=O)NC[C@@H]1CN([C@H](C)c2cnccn2)C[C@H]1C ZINC001101805691 793387021 /nfs/dbraw/zinc/38/70/21/793387021.db2.gz ZXPDTEYBSVMDTH-RBSFLKMASA-N 0 3 302.422 2.188 20 30 DEEDHN COc1ccc(S(C)(=O)=O)c(CN[C@H](C)CCCC#N)c1 ZINC001172487288 793424746 /nfs/dbraw/zinc/42/47/46/793424746.db2.gz ALKBZIYCLYODCV-GFCCVEGCSA-N 0 3 310.419 2.271 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC[C@@H](O)C2)C[C@H]1C#N ZINC001172979662 793549383 /nfs/dbraw/zinc/54/93/83/793549383.db2.gz GMGZNTGEHFWEIK-QLFBSQMISA-N 0 3 323.437 2.125 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102263214 793549460 /nfs/dbraw/zinc/54/94/60/793549460.db2.gz YRQXYYCFRKGHCB-BZUAXINKSA-N 0 3 318.465 2.207 20 30 DEEDHN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]cn2)[C@H](C)C1 ZINC001102451081 793619222 /nfs/dbraw/zinc/61/92/22/793619222.db2.gz IAMLRTJWHYYCCJ-OUCADQQQSA-N 0 3 324.856 2.025 20 30 DEEDHN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H](C)Cc2cnc[nH]2)[C@H](C)C1 ZINC001102451081 793619225 /nfs/dbraw/zinc/61/92/25/793619225.db2.gz IAMLRTJWHYYCCJ-OUCADQQQSA-N 0 3 324.856 2.025 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCCNCc1nnc(C)[nH]1 ZINC001175080919 794136160 /nfs/dbraw/zinc/13/61/60/794136160.db2.gz BEMSNFMGIBHCKG-DYVFJYSZSA-N 0 3 321.469 2.480 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCOC)C1 ZINC001103736640 794209449 /nfs/dbraw/zinc/20/94/49/794209449.db2.gz JOTPWFFBSYTYHF-UMVBOHGHSA-N 0 3 316.873 2.486 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001175648270 794254856 /nfs/dbraw/zinc/25/48/56/794254856.db2.gz WSLDTKAFKDQNMJ-LBPRGKRZSA-N 0 3 314.788 2.441 20 30 DEEDHN C#CC[C@@H]1CCN(CC(=O)NCCCOc2cccc(C)c2)C1 ZINC001176069571 794340605 /nfs/dbraw/zinc/34/06/05/794340605.db2.gz JKBMEQRQQLIJIC-QGZVFWFLSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCOCCN1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001176544804 794442344 /nfs/dbraw/zinc/44/23/44/794442344.db2.gz MBLVGLPGYXQAAH-QAPCUYQASA-N 0 3 322.449 2.406 20 30 DEEDHN C=C[C@H](C(=O)NCCCNCc1cnns1)c1ccccc1 ZINC001176782132 794493010 /nfs/dbraw/zinc/49/30/10/794493010.db2.gz SNORXGXCAPQSAD-HNNXBMFYSA-N 0 3 316.430 2.104 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC2CCOCC2)C1 ZINC001111893746 794517518 /nfs/dbraw/zinc/51/75/18/794517518.db2.gz SSRARYHVTPTGGF-HKUYNNGSSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)c2ccco2)C1 ZINC001111941509 794530527 /nfs/dbraw/zinc/53/05/27/794530527.db2.gz VSKZENRKCQPRTB-MPGHIAIKSA-N 0 3 300.402 2.377 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C(F)(F)F ZINC001112077092 794555667 /nfs/dbraw/zinc/55/56/67/794555667.db2.gz VVLSUFIJXYNDGI-RKDXNWHRSA-N 0 3 318.261 2.494 20 30 DEEDHN CC(=O)c1nn(C)cc1NC(=O)C(C#N)Cc1cccs1 ZINC001177905165 794772538 /nfs/dbraw/zinc/77/25/38/794772538.db2.gz WOYZZZAFYACMGB-JTQLQIEISA-N 0 3 302.359 2.005 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)COC)CCCCC1 ZINC001115446753 794775682 /nfs/dbraw/zinc/77/56/82/794775682.db2.gz JGHMMSHPFUUESS-LBPRGKRZSA-N 0 3 302.846 2.430 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](NCC(=O)N(C(C)C)C(C)C)[C@@H]1C ZINC001178323941 794899343 /nfs/dbraw/zinc/89/93/43/794899343.db2.gz BRWLJSKTAIJTOV-HOTGVXAUSA-N 0 3 323.481 2.177 20 30 DEEDHN C=CCCCC(=O)NCCCCCCNCc1nnc(C)[nH]1 ZINC001179425794 795116181 /nfs/dbraw/zinc/11/61/81/795116181.db2.gz FNWIFUPVBYPTGP-UHFFFAOYSA-N 0 3 307.442 2.236 20 30 DEEDHN CCCCCCN(C)CC(=O)NCCCCCCNCC#N ZINC001179838548 795185165 /nfs/dbraw/zinc/18/51/65/795185165.db2.gz BYKYEFTVXKUGLQ-UHFFFAOYSA-N 0 3 310.486 2.288 20 30 DEEDHN C#CCN1CCC[C@@H](NCc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001119504063 795313585 /nfs/dbraw/zinc/31/35/85/795313585.db2.gz AEULRFSDWKCQHX-ZIAGYGMSSA-N 0 3 303.475 2.455 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2c(C)noc2C)CC1 ZINC001150954825 795357536 /nfs/dbraw/zinc/35/75/36/795357536.db2.gz XSCRMEWCJXEUOY-UHFFFAOYSA-N 0 3 321.421 2.078 20 30 DEEDHN C=CCC[C@H](O)CN(C)CCc1nccc(C(F)(F)F)n1 ZINC001119962702 795379222 /nfs/dbraw/zinc/37/92/22/795379222.db2.gz QQZBFCOJTWMHIS-NSHDSACASA-N 0 3 303.328 2.297 20 30 DEEDHN Cc1cnc(CNC[C@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@H]2C)s1 ZINC001180914492 795388368 /nfs/dbraw/zinc/38/83/68/795388368.db2.gz SKIHFFWFTXKQQY-HWWQOWPSSA-N 0 3 320.462 2.185 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)COCC)C1 ZINC001120307911 795438126 /nfs/dbraw/zinc/43/81/26/795438126.db2.gz CGLLUQKBMYEMCQ-LSDHHAIUSA-N 0 3 314.857 2.478 20 30 DEEDHN Cc1ccc(OC[C@H](O)CNCC#C[C@@H]2CCCCO2)c(C)c1 ZINC001120610807 795497391 /nfs/dbraw/zinc/49/73/91/795497391.db2.gz PSZKTTKBLIINBE-MSOLQXFVSA-N 0 3 317.429 2.205 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)CC2CCCCC2)C1 ZINC001149089611 795499942 /nfs/dbraw/zinc/49/99/42/795499942.db2.gz AYKXIZNMLBYVQS-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001181751024 795533085 /nfs/dbraw/zinc/53/30/85/795533085.db2.gz IUYCMEZJDQVDDC-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN Cc1cnc(CNC2CC3(C2)CC(NC(=O)[C@H](C)C#N)C3)s1 ZINC001120853326 795544138 /nfs/dbraw/zinc/54/41/38/795544138.db2.gz DFAPQFZNKUVWQV-ZJMBPCIDSA-N 0 3 318.446 2.128 20 30 DEEDHN N#Cc1ccccc1CC(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001181805880 795544245 /nfs/dbraw/zinc/54/42/45/795544245.db2.gz QCHCULNNHSLFBS-UHFFFAOYSA-N 0 3 304.353 2.336 20 30 DEEDHN N#Cc1ccccc1CC(=O)NCCc1c[nH]c2ccncc12 ZINC001181805880 795544258 /nfs/dbraw/zinc/54/42/58/795544258.db2.gz QCHCULNNHSLFBS-UHFFFAOYSA-N 0 3 304.353 2.336 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@@H](NCc2scnc2C)C1 ZINC001181890353 795556941 /nfs/dbraw/zinc/55/69/41/795556941.db2.gz HPPPBAIBPQIIMD-CQSZACIVSA-N 0 3 323.462 2.125 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccco1)C2 ZINC001110282397 795657251 /nfs/dbraw/zinc/65/72/51/795657251.db2.gz GDRAOFCRCDUOJA-OIISXLGYSA-N 0 3 318.417 2.136 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC001121876680 795697959 /nfs/dbraw/zinc/69/79/59/795697959.db2.gz VUXKYNRJYOHTKL-CABCVRRESA-N 0 3 311.470 2.049 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)CCCF)CC1 ZINC001151248658 795713648 /nfs/dbraw/zinc/71/36/48/795713648.db2.gz QXZLPLAZUNJJCP-UHFFFAOYSA-N 0 3 300.418 2.300 20 30 DEEDHN C=CCCOCC(=O)NC1CC2(CC(NCC(=C)Cl)C2)C1 ZINC001122267035 795741239 /nfs/dbraw/zinc/74/12/39/795741239.db2.gz CZAFJFYRRSMCIL-UHFFFAOYSA-N 0 3 312.841 2.349 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001182810797 795759723 /nfs/dbraw/zinc/75/97/23/795759723.db2.gz ILRLRUVMQSARCM-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCCC(C)C)C1 ZINC001182918546 795781575 /nfs/dbraw/zinc/78/15/75/795781575.db2.gz JCRPXIGUQNRGPR-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)c2ccc(F)cc2)ccc1F ZINC001122604993 795783947 /nfs/dbraw/zinc/78/39/47/795783947.db2.gz OVHOKDPXTXBNOA-UHFFFAOYSA-N 0 3 315.323 2.356 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)/C=C\c2ccco2)ccc1F ZINC001122736300 795799490 /nfs/dbraw/zinc/79/94/90/795799490.db2.gz YQOPLVRRNOTAHB-XQRVVYSFSA-N 0 3 313.332 2.210 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)C2CCCCC2)cc1F ZINC001122822587 795808358 /nfs/dbraw/zinc/80/83/58/795808358.db2.gz ZBJQVIMOGJUOOK-UHFFFAOYSA-N 0 3 303.381 2.483 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3cncc(F)c3)C2)CCC1 ZINC001183185188 795818844 /nfs/dbraw/zinc/81/88/44/795818844.db2.gz BUWZVSVQGCDNKD-MRXNPFEDSA-N 0 3 315.392 2.105 20 30 DEEDHN N#Cc1ccc(CNCCNC(=O)c2cc(Cl)c[nH]2)s1 ZINC001123466954 795918395 /nfs/dbraw/zinc/91/83/95/795918395.db2.gz ZPPGSTXJOMQJRX-UHFFFAOYSA-N 0 3 308.794 2.121 20 30 DEEDHN C=CCCC(=O)N1CC[C@H](CNCc2nccn2CC)[C@@H](C)C1 ZINC001184020178 795974193 /nfs/dbraw/zinc/97/41/93/795974193.db2.gz NDPWUWAYBGFTIX-JKSUJKDBSA-N 0 3 318.465 2.443 20 30 DEEDHN CCCSCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001124197712 796044013 /nfs/dbraw/zinc/04/40/13/796044013.db2.gz NOCJNHYVJQBDEY-UHFFFAOYSA-N 0 3 309.410 2.046 20 30 DEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc(F)nc3)C2)C1=O ZINC001137736596 796132063 /nfs/dbraw/zinc/13/20/63/796132063.db2.gz VIZZDHWHHVAHJO-KRWDZBQOSA-N 0 3 303.381 2.221 20 30 DEEDHN CCC[C@@H](OC)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001184825094 796134285 /nfs/dbraw/zinc/13/42/85/796134285.db2.gz CPTYWSYUDDSURP-IUODEOHRSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCCC(C)C)C1 ZINC001185280361 796229078 /nfs/dbraw/zinc/22/90/78/796229078.db2.gz MHETUOPIFVEQHB-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCC(=O)N[C@H]1C[C@@H](NCc2conc2C)C12CCC2 ZINC001202846534 796242666 /nfs/dbraw/zinc/24/26/66/796242666.db2.gz LOMWFUBADCYCCH-CVEARBPZSA-N 0 3 315.417 2.304 20 30 DEEDHN C=CCc1cccc(C[NH+]2CCC(NC(=O)NC)CC2)c1[O-] ZINC001138631513 796247555 /nfs/dbraw/zinc/24/75/55/796247555.db2.gz UPOLXAGWJMAUBG-UHFFFAOYSA-N 0 3 303.406 2.014 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001185430771 796255188 /nfs/dbraw/zinc/25/51/88/796255188.db2.gz ZDYVUQFVUWCUQP-RDTXWAMCSA-N 0 3 323.481 2.084 20 30 DEEDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2C#N)CN1C1CC1 ZINC001185766502 796312387 /nfs/dbraw/zinc/31/23/87/796312387.db2.gz JKNLTXJGBMRFPL-NXEZZACHSA-N 0 3 301.350 2.086 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)C1 ZINC001185797693 796317561 /nfs/dbraw/zinc/31/75/61/796317561.db2.gz OXHGXAHGXUTXNP-CQSZACIVSA-N 0 3 320.820 2.102 20 30 DEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H](NCc2ccns2)C12CCC2 ZINC001202910016 796346729 /nfs/dbraw/zinc/34/67/29/796346729.db2.gz LLUAEFLQGXCVNF-GJZGRUSLSA-N 0 3 315.442 2.074 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CO)cc1 ZINC001110378663 796388290 /nfs/dbraw/zinc/38/82/90/796388290.db2.gz AVGNHYBAYWNALC-KURKYZTESA-N 0 3 314.429 2.367 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)NCCc1ccc(F)cc1 ZINC001186299794 796389650 /nfs/dbraw/zinc/38/96/50/796389650.db2.gz XKAHXNOVZIRSFP-INIZCTEOSA-N 0 3 305.397 2.318 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC001186371044 796400762 /nfs/dbraw/zinc/40/07/62/796400762.db2.gz AMDQCJKVKWQBFD-OAHLLOKOSA-N 0 3 322.355 2.078 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC001186746908 796437412 /nfs/dbraw/zinc/43/74/12/796437412.db2.gz CNYSVZIZZQMFKZ-CQSZACIVSA-N 0 3 300.377 2.071 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001187106099 796482506 /nfs/dbraw/zinc/48/25/06/796482506.db2.gz BGNBMYUSRNNVDU-JKSUJKDBSA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccncc1[O-])C2 ZINC001140276105 796499409 /nfs/dbraw/zinc/49/94/09/796499409.db2.gz CTBNRUQMFWFOSI-WBVHZDCISA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1[O-])C2 ZINC001140276105 796499410 /nfs/dbraw/zinc/49/94/10/796499410.db2.gz CTBNRUQMFWFOSI-WBVHZDCISA-N 0 3 304.390 2.113 20 30 DEEDHN CCCCCCCCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001187340718 796527978 /nfs/dbraw/zinc/52/79/78/796527978.db2.gz BXJUFXBVLLCWCB-MRXNPFEDSA-N 0 3 323.481 2.206 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCn2ccc3ccccc32)C1 ZINC001187692062 796564274 /nfs/dbraw/zinc/56/42/74/796564274.db2.gz LFYYYEACOWCZCP-QGZVFWFLSA-N 0 3 309.413 2.245 20 30 DEEDHN CCC[C@@H](CC(C)C)C(=O)N1CC[C@@H](NCC#CCOC)C1 ZINC001188243768 796642835 /nfs/dbraw/zinc/64/28/35/796642835.db2.gz OZSSKZSZBFWOJR-DLBZAZTESA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC001188218027 796645826 /nfs/dbraw/zinc/64/58/26/796645826.db2.gz OSJDENBUPDJMTL-CQSZACIVSA-N 0 3 320.458 2.325 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)C1 ZINC001188288068 796646922 /nfs/dbraw/zinc/64/69/22/796646922.db2.gz XVLGAQIYMWRJTJ-CQSZACIVSA-N 0 3 323.824 2.018 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC001188287715 796655016 /nfs/dbraw/zinc/65/50/16/796655016.db2.gz PJXBHJIIKZIVHR-MRXNPFEDSA-N 0 3 324.371 2.248 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC001188414011 796672095 /nfs/dbraw/zinc/67/20/95/796672095.db2.gz GQUORAKROUSATP-CQSZACIVSA-N 0 3 306.356 2.111 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001110401418 796713162 /nfs/dbraw/zinc/71/31/62/796713162.db2.gz CGPKFFJBQKHLPG-GBOPCIDUSA-N 0 3 303.431 2.172 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001142539106 796748347 /nfs/dbraw/zinc/74/83/47/796748347.db2.gz MRVNQNNPBWRDBN-MRXNPFEDSA-N 0 3 318.417 2.223 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CCOC2CCC2)C1 ZINC001189243051 796790517 /nfs/dbraw/zinc/79/05/17/796790517.db2.gz PTQRJIAWIWGTEO-JKSUJKDBSA-N 0 3 324.465 2.069 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)Cc2ccc(F)cc2)c1 ZINC001149609949 796876267 /nfs/dbraw/zinc/87/62/67/796876267.db2.gz FASLHSRPXVPTBN-UHFFFAOYSA-N 0 3 311.360 2.146 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](N(C)CCOCC2CCC2)C1 ZINC001189927246 796905026 /nfs/dbraw/zinc/90/50/26/796905026.db2.gz WVELNWMXPOVNNS-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)COC2CCCCC2)C1 ZINC001149930480 796906441 /nfs/dbraw/zinc/90/64/41/796906441.db2.gz NWNUTQARTHOICA-KRWDZBQOSA-N 0 3 324.465 2.119 20 30 DEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001150027619 796914807 /nfs/dbraw/zinc/91/48/07/796914807.db2.gz BZTKTSXQWMNSHR-KYHPRHEASA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001151266626 797027960 /nfs/dbraw/zinc/02/79/60/797027960.db2.gz JUYLSARSWITQQF-LSDHHAIUSA-N 0 3 312.429 2.298 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](N(C)C[C@H]3CCCCO3)C2)CCC1 ZINC001190605726 797039900 /nfs/dbraw/zinc/03/99/00/797039900.db2.gz ZHRFMBOUSFLFIE-IAGOWNOFSA-N 0 3 318.461 2.282 20 30 DEEDHN CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CSC ZINC001151792961 797095406 /nfs/dbraw/zinc/09/54/06/797095406.db2.gz WFCLRVAQYPOZBL-CYBMUJFWSA-N 0 3 305.447 2.248 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001153018817 797270216 /nfs/dbraw/zinc/27/02/16/797270216.db2.gz UFSNJYVEHIHPCC-KDOFPFPSSA-N 0 3 322.424 2.479 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001192079089 797311913 /nfs/dbraw/zinc/31/19/13/797311913.db2.gz UIFNUXLKKPYBCM-BPLDGKMQSA-N 0 3 306.406 2.026 20 30 DEEDHN CC[C@@H](C(=O)NCCNCC#CCOC)c1ccc(Cl)cc1 ZINC001152010103 797340979 /nfs/dbraw/zinc/34/09/79/797340979.db2.gz BPVRESQHCSVWNZ-MRXNPFEDSA-N 0 3 322.836 2.189 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 ZINC001192312928 797360301 /nfs/dbraw/zinc/36/03/01/797360301.db2.gz JVFNNFAVZJFUKO-RRFJBIMHSA-N 0 3 314.495 2.036 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCCc1ncc(C)o1 ZINC001153779760 797394007 /nfs/dbraw/zinc/39/40/07/797394007.db2.gz JXWMEOUBZMSFSU-CQSZACIVSA-N 0 3 305.422 2.156 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cccc2c1COCC2 ZINC001153802668 797399349 /nfs/dbraw/zinc/39/93/49/797399349.db2.gz MEYZXKTZFGAVTB-OAHLLOKOSA-N 0 3 314.429 2.223 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001192522860 797401471 /nfs/dbraw/zinc/40/14/71/797401471.db2.gz LHYHKOGCHWNSOF-ZDUSSCGKSA-N 0 3 323.824 2.084 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001192953291 797474878 /nfs/dbraw/zinc/47/48/78/797474878.db2.gz FZCMCHLTPAURRQ-ARFHVFGLSA-N 0 3 306.450 2.084 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(C)cc(OC)c1C ZINC001154185724 797480966 /nfs/dbraw/zinc/48/09/66/797480966.db2.gz ADJUPKIWWLKMPA-CQSZACIVSA-N 0 3 302.418 2.385 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(F)cc2C)C1 ZINC001193586683 797588404 /nfs/dbraw/zinc/58/84/04/797588404.db2.gz BCNUPTRZAPFAJS-INIZCTEOSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(OC)cc2)C1 ZINC001193651746 797604053 /nfs/dbraw/zinc/60/40/53/797604053.db2.gz LLVRVZXDARRIMK-MRXNPFEDSA-N 0 3 318.417 2.044 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC001193816844 797630750 /nfs/dbraw/zinc/63/07/50/797630750.db2.gz YNESKFRFAANZMN-INIZCTEOSA-N 0 3 320.408 2.104 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)CC[C@@H]1CCCO1 ZINC001154878102 797631343 /nfs/dbraw/zinc/63/13/43/797631343.db2.gz DCBPVCGGFTYMIW-KRWDZBQOSA-N 0 3 315.417 2.113 20 30 DEEDHN CC(C)COCCC(=O)NCCCNCc1ccccc1C#N ZINC001154963787 797649347 /nfs/dbraw/zinc/64/93/47/797649347.db2.gz CYEMOOCGCMVHLR-UHFFFAOYSA-N 0 3 317.433 2.217 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)Cc2ccc(C)s2)C1 ZINC001194238143 797698300 /nfs/dbraw/zinc/69/83/00/797698300.db2.gz KCEVHJPEARLPLV-HNNXBMFYSA-N 0 3 322.474 2.334 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001155509779 797776163 /nfs/dbraw/zinc/77/61/63/797776163.db2.gz MCUKEZJHWCAFJV-CQSZACIVSA-N 0 3 310.401 2.150 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnc(C(C)C)nc1C ZINC001155662277 797820020 /nfs/dbraw/zinc/82/00/20/797820020.db2.gz ORRCIQQSIHPORL-CQSZACIVSA-N 0 3 316.449 2.372 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001195058510 797823411 /nfs/dbraw/zinc/82/34/11/797823411.db2.gz RCVWTTOLUHOALT-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc2scnc2c1 ZINC001156140983 797932440 /nfs/dbraw/zinc/93/24/40/797932440.db2.gz OWJHVLVTDSIXAE-GFCCVEGCSA-N 0 3 301.415 2.370 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001196005878 797992163 /nfs/dbraw/zinc/99/21/63/797992163.db2.gz YQQSNYKCXIQDTC-IAGOWNOFSA-N 0 3 321.465 2.079 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001156669457 798058186 /nfs/dbraw/zinc/05/81/86/798058186.db2.gz KQNNMIKICWPKLH-WBMJQRKESA-N 0 3 304.821 2.440 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1sc(N(C)C)nc1C ZINC001156672534 798059464 /nfs/dbraw/zinc/05/94/64/798059464.db2.gz RXUXHEGYTPXXJH-UHFFFAOYSA-N 0 3 310.467 2.097 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)OC ZINC001156994365 798124888 /nfs/dbraw/zinc/12/48/88/798124888.db2.gz PPVWRVVDOFTPEU-SJLPKXTDSA-N 0 3 316.445 2.094 20 30 DEEDHN CCOCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(C#N)c1 ZINC001152327194 798170421 /nfs/dbraw/zinc/17/04/21/798170421.db2.gz VMEJPSBNQYVTNM-OAHLLOKOSA-N 0 3 317.433 2.311 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(NC(C)=O)ccc1C ZINC001157347228 798186585 /nfs/dbraw/zinc/18/65/85/798186585.db2.gz JMJQHIALRYHYJE-CQSZACIVSA-N 0 3 315.417 2.027 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001198276047 798306669 /nfs/dbraw/zinc/30/66/69/798306669.db2.gz MIGYBJNCAZWKHL-IAGOWNOFSA-N 0 3 302.418 2.045 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)c1ccnn1C ZINC001157967838 798316656 /nfs/dbraw/zinc/31/66/56/798316656.db2.gz XIFNRWFIWKLLLF-HUUCEWRRSA-N 0 3 304.438 2.023 20 30 DEEDHN C=CCO[C@H](C)C(=O)N1CCCN(CC[C@@H]2CCCCO2)CC1 ZINC001198344665 798320263 /nfs/dbraw/zinc/32/02/63/798320263.db2.gz VSDBIFAEKFILSQ-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN CCCN[C@@H](CNC(=O)C#CC1CC1)c1ccccc1OC ZINC001198723381 798382334 /nfs/dbraw/zinc/38/23/34/798382334.db2.gz FSZVBCQFOFCOTC-INIZCTEOSA-N 0 3 300.402 2.266 20 30 DEEDHN COc1ccccc1[C@@H](CNC(=O)C#CC(C)C)NCCCF ZINC001198712733 798387753 /nfs/dbraw/zinc/38/77/53/798387753.db2.gz FNQHAKCXECFULM-MRXNPFEDSA-N 0 3 320.408 2.461 20 30 DEEDHN C=CCNC(=O)c1cccnc1N1CCN(C)CC12CCCC2 ZINC001158409960 798402231 /nfs/dbraw/zinc/40/22/31/798402231.db2.gz HRNYPRNNRHSLMQ-UHFFFAOYSA-N 0 3 314.433 2.062 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)Cc1c(C)noc1C ZINC001158847568 798478006 /nfs/dbraw/zinc/47/80/06/798478006.db2.gz YNOHLTMKAXCBKW-OAHLLOKOSA-N 0 3 305.422 2.333 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCn1cc(C)cn1 ZINC001158909250 798488367 /nfs/dbraw/zinc/48/83/67/798488367.db2.gz KPIQRQWJUPAQEU-MRXNPFEDSA-N 0 3 304.438 2.081 20 30 DEEDHN C=CCCC(=O)N1CCC(N[C@H](C)c2cnc(C)cn2)CC1 ZINC001199725970 798527047 /nfs/dbraw/zinc/52/70/47/798527047.db2.gz JMIWXUMTOKFDQR-CQSZACIVSA-N 0 3 302.422 2.393 20 30 DEEDHN C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CCCO1 ZINC001199887681 798559195 /nfs/dbraw/zinc/55/91/95/798559195.db2.gz XTTNBGXTBNFGIS-OAHLLOKOSA-N 0 3 318.417 2.179 20 30 DEEDHN CC(C)C#CC(=O)N1CCC(NCc2ccn(C(C)C)n2)CC1 ZINC001200456152 798632447 /nfs/dbraw/zinc/63/24/47/798632447.db2.gz NNVHFGLODAGSBR-UHFFFAOYSA-N 0 3 316.449 2.204 20 30 DEEDHN C=CCn1cccc1C(=O)NCCCNCc1conc1CC ZINC001159974874 798635221 /nfs/dbraw/zinc/63/52/21/798635221.db2.gz NNOQHFMRJZTUTK-UHFFFAOYSA-N 0 3 316.405 2.134 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cncc(OC)c2C)CC1 ZINC001160478965 798694177 /nfs/dbraw/zinc/69/41/77/798694177.db2.gz GPQBSSFWTKKKQT-UHFFFAOYSA-N 0 3 315.417 2.337 20 30 DEEDHN N#C[C@@H]1CCCCN1C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001160635544 798713595 /nfs/dbraw/zinc/71/35/95/798713595.db2.gz ATMRRVJKAPIBKO-OJYUVLBFSA-N 0 3 301.434 2.435 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@H]2CCCC2(C)C)CCCO1 ZINC001201196167 798720405 /nfs/dbraw/zinc/72/04/05/798720405.db2.gz MSAMPJPDMBAOCG-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN CC#CCCCC(=O)N1CCCO[C@@H](CNC[C@H](F)CC)C1 ZINC001201211038 798722646 /nfs/dbraw/zinc/72/26/46/798722646.db2.gz RWHIAPGSOHHFAY-CVEARBPZSA-N 0 3 312.429 2.135 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2c(C)cccc2C)CCCO1 ZINC001201460549 798755714 /nfs/dbraw/zinc/75/57/14/798755714.db2.gz KEQXGPXLVITULZ-KRWDZBQOSA-N 0 3 314.429 2.147 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)CC2CCCCCC2)CCCO1 ZINC001201493166 798760094 /nfs/dbraw/zinc/76/00/94/798760094.db2.gz CHHKIVSEECWBJC-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN N#Cc1c(N)nn(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1N ZINC001201475022 798765198 /nfs/dbraw/zinc/76/51/98/798765198.db2.gz PJVJAIAREMMKFF-KGLIPLIRSA-N 0 3 320.400 2.197 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C(CC)(CC)CC)CCCO1 ZINC001201726417 798790319 /nfs/dbraw/zinc/79/03/19/798790319.db2.gz KEXQBAMRMRIBHL-MRXNPFEDSA-N 0 3 308.466 2.433 20 30 DEEDHN COc1cccc(CN2CC[C@H](Nc3cncc(CC#N)n3)C2)c1 ZINC001161192438 798808461 /nfs/dbraw/zinc/80/84/61/798808461.db2.gz HHLGJCMECGCYRC-INIZCTEOSA-N 0 3 323.400 2.238 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cccc(C(F)F)c2)CCCO1 ZINC001201907990 798809646 /nfs/dbraw/zinc/80/96/46/798809646.db2.gz HLMQPBMDQNECCU-HNNXBMFYSA-N 0 3 322.355 2.078 20 30 DEEDHN C=CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C1CCCCC1 ZINC001161247717 798816234 /nfs/dbraw/zinc/81/62/34/798816234.db2.gz HWHRASWPNUGKDQ-HOCLYGCPSA-N 0 3 323.481 2.212 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001161283099 798820494 /nfs/dbraw/zinc/82/04/94/798820494.db2.gz QFXMDLYVSGLDKC-JTQLQIEISA-N 0 3 312.845 2.369 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC001202091788 798826529 /nfs/dbraw/zinc/82/65/29/798826529.db2.gz AHKWTNISJBAGHB-LSDHHAIUSA-N 0 3 318.465 2.442 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001202122757 798829679 /nfs/dbraw/zinc/82/96/79/798829679.db2.gz GSQWPCHNXJAFRE-OLZOCXBDSA-N 0 3 319.453 2.357 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NCc2nccnc2C)CC1 ZINC001202123877 798830291 /nfs/dbraw/zinc/83/02/91/798830291.db2.gz YLLUTRFJCKDNSN-CQSZACIVSA-N 0 3 316.449 2.468 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccccc1C(F)(F)F ZINC001202174133 798836498 /nfs/dbraw/zinc/83/64/98/798836498.db2.gz JGZSPTFMYGNQQR-JTQLQIEISA-N 0 3 315.251 2.282 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001161379068 798840536 /nfs/dbraw/zinc/84/05/36/798840536.db2.gz MYFAJBIZJHKCHE-JHJVBQTASA-N 0 3 315.255 2.427 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)c2cnn(CC(C)C)c2)CC1 ZINC001161590801 798892737 /nfs/dbraw/zinc/89/27/37/798892737.db2.gz RLJCYWURILGSEV-UHFFFAOYSA-N 0 3 316.449 2.477 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)C[C@H](C)n2cccn2)CC1 ZINC001161665642 798907590 /nfs/dbraw/zinc/90/75/90/798907590.db2.gz VPPUBKTZWTXTRX-HNNXBMFYSA-N 0 3 302.422 2.159 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2c[nH]c3cccnc23)CC1 ZINC001161709105 798918688 /nfs/dbraw/zinc/91/86/88/798918688.db2.gz MOSKZYFDIDJWMU-UHFFFAOYSA-N 0 3 322.412 2.338 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CCOCC1)C2 ZINC001110636874 798936265 /nfs/dbraw/zinc/93/62/65/798936265.db2.gz BVSGUEADZQWGSV-KURKYZTESA-N 0 3 318.461 2.328 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC13CC3)C2 ZINC001110711761 798985536 /nfs/dbraw/zinc/98/55/36/798985536.db2.gz NWAWCTULXRWEFT-VQHPVUNQSA-N 0 3 318.461 2.491 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cccs2)(COC)CC1 ZINC001162080988 799006183 /nfs/dbraw/zinc/00/61/83/799006183.db2.gz JZWOMEURCSDCMI-UHFFFAOYSA-N 0 3 320.458 2.230 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CSCC#N)C12CCC2 ZINC001202512347 799068332 /nfs/dbraw/zinc/06/83/32/799068332.db2.gz XGTVFNLBKHQUET-VXGBXAGGSA-N 0 3 313.854 2.013 20 30 DEEDHN C#CCN1CCC(CNC(=O)CC(C)=C(C)C)(COC)CC1 ZINC001162409153 799080832 /nfs/dbraw/zinc/08/08/32/799080832.db2.gz NPTXFDWLZHDPPG-UHFFFAOYSA-N 0 3 306.450 2.211 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)C(F)F)CCN1Cc1cccc(C#N)c1 ZINC000946945966 799213781 /nfs/dbraw/zinc/21/37/81/799213781.db2.gz KCRHKQYQYFMIIL-SMDDNHRTSA-N 0 3 307.344 2.292 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)COCCC)C12CCC2 ZINC001202599287 799282756 /nfs/dbraw/zinc/28/27/56/799282756.db2.gz MONSWJHIHZAIKN-OLZOCXBDSA-N 0 3 300.830 2.183 20 30 DEEDHN C=CCCC(=O)N[C@@H]1C[C@H](NCc2cnc(C)cn2)C12CCC2 ZINC001202616541 799287906 /nfs/dbraw/zinc/28/79/06/799287906.db2.gz HWIHACDHGWNJNV-JKSUJKDBSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C1(C2CC2)CCOCC1 ZINC001163256959 799288912 /nfs/dbraw/zinc/28/89/12/799288912.db2.gz PLTSESZYVKWLCS-UHFFFAOYSA-N 0 3 300.830 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C#CCN1CCC(CNC(=O)CO[C@H]2CCCC[C@@H]2CC)CC1 ZINC001223163922 802769945 /nfs/dbraw/zinc/76/99/45/802769945.db2.gz BERGALAAFRFXRQ-ROUUACIJSA-N 0 3 320.477 2.433 20 30 DEEDHN C=C(Cl)CN1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223488070 802795380 /nfs/dbraw/zinc/79/53/80/802795380.db2.gz ZLSYFSOWEGZOIH-UHFFFAOYSA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2c(C)[nH]c3ccccc32)CC1 ZINC001224273053 802853047 /nfs/dbraw/zinc/85/30/47/802853047.db2.gz NPGMPYDIRJYLGV-UHFFFAOYSA-N 0 3 323.440 2.480 20 30 DEEDHN C#CCN1CCC(CNC(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC001224651612 802889607 /nfs/dbraw/zinc/88/96/07/802889607.db2.gz QPSSNJMGGJWUKT-UHFFFAOYSA-N 0 3 322.811 2.483 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@@H](C)n2cnc3ccccc32)CC1 ZINC001225075234 802934036 /nfs/dbraw/zinc/93/40/36/802934036.db2.gz DPBBIYQKNZMKBD-OAHLLOKOSA-N 0 3 324.428 2.059 20 30 DEEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001225103768 802935961 /nfs/dbraw/zinc/93/59/61/802935961.db2.gz XYGLZLQSIWBQEK-MSOLQXFVSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)n2c(C)ccc2C)CC1 ZINC001225564031 802983353 /nfs/dbraw/zinc/98/33/53/802983353.db2.gz QDJWIIAALOMTEL-INIZCTEOSA-N 0 3 301.434 2.127 20 30 DEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CCCC ZINC001225969695 803034971 /nfs/dbraw/zinc/03/49/71/803034971.db2.gz PLAGBGIHUYKLTM-BZUAXINKSA-N 0 3 323.481 2.132 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001226073218 803048575 /nfs/dbraw/zinc/04/85/75/803048575.db2.gz NFRRFMGFFCREON-IAGOWNOFSA-N 0 3 317.408 2.397 20 30 DEEDHN C[NH+](C)CC[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226257415 803078489 /nfs/dbraw/zinc/07/84/89/803078489.db2.gz ZTQPFKNKDFMHQE-BRFSQIRFSA-N 0 3 300.362 2.357 20 30 DEEDHN COc1cccc([C@H](C)N2CCC(NC(=O)[C@@H](C)C#N)CC2)c1 ZINC001226647531 803136501 /nfs/dbraw/zinc/13/65/01/803136501.db2.gz AQIJIXISRNIPTL-KBPBESRZSA-N 0 3 315.417 2.496 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCC ZINC001227973652 803300928 /nfs/dbraw/zinc/30/09/28/803300928.db2.gz WCOKIULJKFRGFX-HUUCEWRRSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCOCCN1CCC(NC(=O)C23CCC(CC2)C3)CC1 ZINC001227987143 803302310 /nfs/dbraw/zinc/30/23/10/803302310.db2.gz SXOKGHBERXJQJF-UHFFFAOYSA-N 0 3 306.450 2.350 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnn2c1CCCC2 ZINC001418422811 1167644341 /nfs/dbraw/zinc/64/43/41/1167644341.db2.gz AYBOXZWJQXWOLO-LBPRGKRZSA-N 0 3 310.829 2.070 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCCCN1C(=O)CN(C)CCC ZINC001334877933 1150350387 /nfs/dbraw/zinc/35/03/87/1150350387.db2.gz SAHZAJFCQBGEBP-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C=CCOCC(=O)N(C)C[C@H](C)NCc1ccccc1Cl ZINC001331405459 1149436772 /nfs/dbraw/zinc/43/67/72/1149436772.db2.gz KTWNWCGVSACLDJ-ZDUSSCGKSA-N 0 3 310.825 2.479 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC001331517245 1149500662 /nfs/dbraw/zinc/50/06/62/1149500662.db2.gz FCXSIOSJMRXLFS-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@@H](C)NCC(=O)NC(C)(C)C)CC1 ZINC001331547429 1149524927 /nfs/dbraw/zinc/52/49/27/1149524927.db2.gz NLSKWLPMPUVVFO-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccn(C(CC)CC)n1 ZINC001331575827 1149539744 /nfs/dbraw/zinc/53/97/44/1149539744.db2.gz IWENRMQOMAUHOM-AWEZNQCLSA-N 0 3 304.438 2.318 20 30 DEEDHN C=CCCCN1CC(N2CCN(C(=O)[C@]3(C)C=CCC3)CC2)C1 ZINC001328130428 1148727720 /nfs/dbraw/zinc/72/77/20/1148727720.db2.gz TUDISLYHVQPNQR-LJQANCHMSA-N 0 3 317.477 2.137 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001420410338 1169497392 /nfs/dbraw/zinc/49/73/92/1169497392.db2.gz YHJZFEHTVITCKW-NWDGAFQWSA-N 0 3 323.437 2.433 20 30 DEEDHN COC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC001343810180 1150774791 /nfs/dbraw/zinc/77/47/91/1150774791.db2.gz YOSLTWADNHPWRS-LSDHHAIUSA-N 0 3 307.369 2.041 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001346557968 1151003760 /nfs/dbraw/zinc/00/37/60/1151003760.db2.gz SIAJFAUPZXEEFT-DJIMGWMZSA-N 0 3 317.433 2.150 20 30 DEEDHN COc1ccc(CN(C)[C@H](C)CNC(=O)[C@@H](C)C#N)cc1C ZINC001424917833 1174030985 /nfs/dbraw/zinc/03/09/85/1174030985.db2.gz CUENIUNYTFRVPH-UONOGXRCSA-N 0 3 303.406 2.100 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](NCc2cn[nH]n2)C(C)C)CCCC1 ZINC001575085030 1069362166 /nfs/dbraw/zinc/36/21/66/1069362166.db2.gz HCKRRCHPSHGTLS-HNNXBMFYSA-N 0 3 319.453 2.172 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](NCc2c[nH]nn2)C(C)C)CCCC1 ZINC001575085030 1069362181 /nfs/dbraw/zinc/36/21/81/1069362181.db2.gz HCKRRCHPSHGTLS-HNNXBMFYSA-N 0 3 319.453 2.172 20 30 DEEDHN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001575118156 1069370271 /nfs/dbraw/zinc/37/02/71/1069370271.db2.gz BTNMAXUZHFCVMB-LIDHIPMTSA-N 0 3 303.450 2.457 20 30 DEEDHN CC(C)(C)C1CCC(C#N)(NC(=O)CNC[C@H]2CCCO2)CC1 ZINC001575120794 1069371883 /nfs/dbraw/zinc/37/18/83/1069371883.db2.gz ZCQCDVASGOCNGO-SWKXRBFHSA-N 0 3 321.465 2.370 20 30 DEEDHN C=CC(C)(C)CCC[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602786643 1069754940 /nfs/dbraw/zinc/75/49/40/1069754940.db2.gz BKDWWIIVOQRRFN-OAHLLOKOSA-N 0 3 315.421 2.482 20 30 DEEDHN C=CC(C)(C)CCC[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602786643 1069754945 /nfs/dbraw/zinc/75/49/45/1069754945.db2.gz BKDWWIIVOQRRFN-OAHLLOKOSA-N 0 3 315.421 2.482 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001526567103 1070312480 /nfs/dbraw/zinc/31/24/80/1070312480.db2.gz LGDZXLKCZBJICR-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](OC)C1CCC1 ZINC001328686964 1148824208 /nfs/dbraw/zinc/82/42/08/1148824208.db2.gz TWXXJVSRVKMRIO-KURKYZTESA-N 0 3 314.429 2.359 20 30 DEEDHN CC(C)OCCN(C)C[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001328718590 1148827379 /nfs/dbraw/zinc/82/73/79/1148827379.db2.gz ASKSDKKESKCEBM-MRXNPFEDSA-N 0 3 308.466 2.384 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC1CC(CNCc2cc(C)n(C)n2)C1 ZINC001328904950 1148846537 /nfs/dbraw/zinc/84/65/37/1148846537.db2.gz OIOUVKFTDFSJDY-FHERZECASA-N 0 3 318.465 2.315 20 30 DEEDHN CC[C@@H]1CN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C[C@H](C)N1 ZINC001454064081 1057429730 /nfs/dbraw/zinc/42/97/30/1057429730.db2.gz OTYNATGHIHPYHO-JMBLZNSLSA-N 0 3 300.402 2.333 20 30 DEEDHN COc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)ccc1O ZINC001459462007 1058163611 /nfs/dbraw/zinc/16/36/11/1058163611.db2.gz FVSZDWMOBJSHPZ-KRWDZBQOSA-N 0 3 312.369 2.438 20 30 DEEDHN C=C(Cl)Cn1c(C2CC2)nnc1N1CCN(CC2CC2)CC1 ZINC001460375013 1058307992 /nfs/dbraw/zinc/30/79/92/1058307992.db2.gz ZTPISQCCDDXTMA-UHFFFAOYSA-N 0 3 321.856 2.440 20 30 DEEDHN CS[C@@H](C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001499874197 1058341339 /nfs/dbraw/zinc/34/13/39/1058341339.db2.gz IFMSSPYVVKSZTK-RDJZCZTQSA-N 0 3 316.470 2.370 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)N(CC)CC ZINC001499898009 1058357586 /nfs/dbraw/zinc/35/75/86/1058357586.db2.gz XDHLPYFOHZIMGK-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN(C(=O)COCC)C1CCN(Cc2ccccc2)CC1 ZINC001500022447 1058438814 /nfs/dbraw/zinc/43/88/14/1058438814.db2.gz CXBXKBKELIWSND-UHFFFAOYSA-N 0 3 314.429 2.149 20 30 DEEDHN C#CCNC[C@H](NC(=O)c1ncc[nH]1)c1ccc2ccccc2c1 ZINC001500060439 1058460760 /nfs/dbraw/zinc/46/07/60/1058460760.db2.gz PZLGVBJNWYYHRU-KRWDZBQOSA-N 0 3 318.380 2.257 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC(C)(C)COC)C2 ZINC001500157526 1058530995 /nfs/dbraw/zinc/53/09/95/1058530995.db2.gz WWOMNSSQHXXFIB-IBGZPJMESA-N 0 3 320.477 2.387 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@]1(C)CCN(CCCOc2ccccc2)C1 ZINC001500197461 1058579710 /nfs/dbraw/zinc/57/97/10/1058579710.db2.gz JVZVPVOMESDFFU-CRAIPNDOSA-N 0 3 315.417 2.196 20 30 DEEDHN C#CCOc1ccc(CN[C@@H](Cc2ccccc2)C(=O)NC)cc1 ZINC001461435853 1058660497 /nfs/dbraw/zinc/66/04/97/1058660497.db2.gz BNZQOVMHGRULGW-IBGZPJMESA-N 0 3 322.408 2.146 20 30 DEEDHN COCC#CCN1CCC(C)(CNC(=O)C2(C)CC=CC2)CC1 ZINC001500447019 1058791117 /nfs/dbraw/zinc/79/11/17/1058791117.db2.gz NRPXNSNBDOMYCO-UHFFFAOYSA-N 0 3 318.461 2.211 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001500488602 1058843318 /nfs/dbraw/zinc/84/33/18/1058843318.db2.gz DNBNEPDFWVRLIA-SFHVURJKSA-N 0 3 302.418 2.454 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC2(OC)CCC2)C1 ZINC001500492376 1058847398 /nfs/dbraw/zinc/84/73/98/1058847398.db2.gz HDXSWKGJLUKVKA-QGZVFWFLSA-N 0 3 306.450 2.187 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cnn3ccccc23)C1 ZINC001500538870 1058905421 /nfs/dbraw/zinc/90/54/21/1058905421.db2.gz QKIHUNCYTVIBPV-GOSISDBHSA-N 0 3 312.417 2.352 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCCCCF)CCC1(F)F ZINC001500608200 1058956483 /nfs/dbraw/zinc/95/64/83/1058956483.db2.gz WGKWURXLNSNCGS-QWHCGFSZSA-N 0 3 319.371 2.359 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001500689106 1059013117 /nfs/dbraw/zinc/01/31/17/1059013117.db2.gz BMSWXOKLHKCHJY-LJQANCHMSA-N 0 3 316.445 2.337 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)[C@@H](CC)SC ZINC001501193389 1059362228 /nfs/dbraw/zinc/36/22/28/1059362228.db2.gz BDVRCVRVPOSLCZ-MRXNPFEDSA-N 0 3 304.459 2.380 20 30 DEEDHN CCCCCCCN1CCC[C@@](CO)(NC(=O)C(F)F)C1 ZINC001501291196 1059430048 /nfs/dbraw/zinc/43/00/48/1059430048.db2.gz AWMVTBNARKQMQU-OAHLLOKOSA-N 0 3 306.397 2.165 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2ccc(F)cc2C)C1 ZINC001501360103 1059467832 /nfs/dbraw/zinc/46/78/32/1059467832.db2.gz QMLVCSBDWQAIQO-SFHVURJKSA-N 0 3 320.408 2.267 20 30 DEEDHN C#CCCN1CCC[C@](CO)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001501360028 1059468449 /nfs/dbraw/zinc/46/84/49/1059468449.db2.gz OPNYOGXKLQEKEN-LNLFQRSKSA-N 0 3 320.477 2.169 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NCc1ccccc1CN(C)CCO ZINC001501668945 1059620616 /nfs/dbraw/zinc/62/06/16/1059620616.db2.gz UDXXKWZXCHQSEE-SFHVURJKSA-N 0 3 304.434 2.329 20 30 DEEDHN C=CCCC(=O)N[C@H]1CC[C@H](CNCc2ncnn2CC)CC1 ZINC001501687830 1059637697 /nfs/dbraw/zinc/63/76/97/1059637697.db2.gz GKSJJAZLAUZIQE-SHTZXODSSA-N 0 3 319.453 2.029 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC001467727845 1059690457 /nfs/dbraw/zinc/69/04/57/1059690457.db2.gz SMGXITDGGUEVHA-UHFFFAOYSA-N 0 3 320.393 2.216 20 30 DEEDHN C#CCNC1(CNC(=O)c2c(C)nn(C(C)(C)C)c2C)CCC1 ZINC001501961131 1059811626 /nfs/dbraw/zinc/81/16/26/1059811626.db2.gz ZWTOLWCKHFXPGF-UHFFFAOYSA-N 0 3 316.449 2.130 20 30 DEEDHN C#CCNC1(CNC(=O)C2CCc3ccccc3CC2)CCC1 ZINC001501976137 1059824991 /nfs/dbraw/zinc/82/49/91/1059824991.db2.gz AUGCMUWOIDGSFR-UHFFFAOYSA-N 0 3 310.441 2.443 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC001468783503 1059851782 /nfs/dbraw/zinc/85/17/82/1059851782.db2.gz XCMDDGHDCTVUIL-KRWDZBQOSA-N 0 3 315.461 2.489 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2c[nH]c3cccc(C)c23)CCC1 ZINC001502017533 1059872671 /nfs/dbraw/zinc/87/26/71/1059872671.db2.gz NFEWKXDTMJTWFC-UHFFFAOYSA-N 0 3 309.413 2.281 20 30 DEEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2cccc(OC)c2)CCC1 ZINC001502028994 1059880061 /nfs/dbraw/zinc/88/00/61/1059880061.db2.gz IAILVGOOENEHJW-HNNXBMFYSA-N 0 3 314.429 2.451 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(C)CCCCCC2)CCO1 ZINC001502058475 1059903416 /nfs/dbraw/zinc/90/34/16/1059903416.db2.gz SKXSAVQWWQANSV-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)[C@@H](CCCC)C(C)C)CCO1 ZINC001502094555 1059925329 /nfs/dbraw/zinc/92/53/29/1059925329.db2.gz JIDRQBBUYHPDRQ-SJORKVTESA-N 0 3 308.466 2.289 20 30 DEEDHN C=CCCCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001502102284 1059933671 /nfs/dbraw/zinc/93/36/71/1059933671.db2.gz ULNABUNRUXZALI-MRXNPFEDSA-N 0 3 307.482 2.217 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)c2ccccc2F)CC1 ZINC001502103616 1059933782 /nfs/dbraw/zinc/93/37/82/1059933782.db2.gz BUKSFIJSZSTVSG-OAHLLOKOSA-N 0 3 318.392 2.060 20 30 DEEDHN CCC(CC)CC(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001502142206 1059988776 /nfs/dbraw/zinc/98/87/76/1059988776.db2.gz CDMGWJDICVBALP-KRWDZBQOSA-N 0 3 308.466 2.433 20 30 DEEDHN COCC#CCN1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001502143339 1059994707 /nfs/dbraw/zinc/99/47/07/1059994707.db2.gz QRFLVBBZCHJEAY-FUHWJXTLSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1coc(-c2ccccc2)n1 ZINC001502390340 1060098355 /nfs/dbraw/zinc/09/83/55/1060098355.db2.gz 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C#CCN(C)CCOCCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001479680574 1061588435 /nfs/dbraw/zinc/58/84/35/1061588435.db2.gz AFMPQCRYIUYGAV-UHFFFAOYSA-N 0 3 320.477 2.243 20 30 DEEDHN C#CCN(C)CCOCCN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001479678711 1061588910 /nfs/dbraw/zinc/58/89/10/1061588910.db2.gz AXYHHMUMOVVBMZ-UHFFFAOYSA-N 0 3 324.371 2.278 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001479737414 1061662122 /nfs/dbraw/zinc/66/21/22/1061662122.db2.gz HAODKQZGBVJLEJ-YESZJQIVSA-N 0 3 316.449 2.023 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)c1cnn(CC)c1C ZINC001479737107 1061662483 /nfs/dbraw/zinc/66/24/83/1061662483.db2.gz HMANRLSJQMGCEK-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)CCC)CC(C)(C)C1 ZINC001479743188 1061670813 /nfs/dbraw/zinc/67/08/13/1061670813.db2.gz SDOJRRJFXORMJZ-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1ccc(C)cc1CN(C)CCCNC(=O)[C@@H](C)C#N ZINC001479762388 1061699315 /nfs/dbraw/zinc/69/93/15/1061699315.db2.gz 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/nfs/dbraw/zinc/14/27/82/1062142782.db2.gz RNAMZVCDSQPISN-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCC[NH+]1CCC(N(CCC)C(=O)c2cnc[n-]c2=O)CC1 ZINC001479992956 1062155673 /nfs/dbraw/zinc/15/56/73/1062155673.db2.gz HADUUJSEFMGFGN-UHFFFAOYSA-N 0 3 318.421 2.075 20 30 DEEDHN C=C(C)CCC(=O)NC[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001506592373 1062167374 /nfs/dbraw/zinc/16/73/74/1062167374.db2.gz SMASCDCWBPBLGO-QAPCUYQASA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001506633511 1062213172 /nfs/dbraw/zinc/21/31/72/1062213172.db2.gz PTHOKPKYMGRBQJ-ZDUSSCGKSA-N 0 3 319.836 2.046 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC001506641938 1062227203 /nfs/dbraw/zinc/22/72/03/1062227203.db2.gz PYVLXFLQGZYFOY-CQSZACIVSA-N 0 3 320.408 2.387 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2ccc(CC)cn2)C1 ZINC001506655453 1062242854 /nfs/dbraw/zinc/24/28/54/1062242854.db2.gz MVYKEJGQTJFKEN-CQSZACIVSA-N 0 3 301.434 2.199 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@](C)(OC)c2ccccc2)C1 ZINC001506666960 1062256620 /nfs/dbraw/zinc/25/66/20/1062256620.db2.gz TZWOYFKXGCGUFB-BEFAXECRSA-N 0 3 314.429 2.008 20 30 DEEDHN C=C(Cl)CN(C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001480070810 1062272700 /nfs/dbraw/zinc/27/27/00/1062272700.db2.gz AMXFHMGJKUIPCY-CABCVRRESA-N 0 3 313.873 2.004 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)Cc2occc2C)C(C)(C)C1 ZINC001506745363 1062352181 /nfs/dbraw/zinc/35/21/81/1062352181.db2.gz FAKRJWPCJQQPHF-MRXNPFEDSA-N 0 3 320.433 2.160 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CCCOC)C[C@@H]2C1 ZINC001506850338 1062431166 /nfs/dbraw/zinc/43/11/66/1062431166.db2.gz IUCKIABAMQJEJD-RRFJBIMHSA-N 0 3 314.857 2.382 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(C(C)(C)C)n1 ZINC001329113133 1148866165 /nfs/dbraw/zinc/86/61/65/1148866165.db2.gz WCGWGJVXNOKNIN-CHWSQXEVSA-N 0 3 321.469 2.441 20 30 DEEDHN CCc1oncc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001480225541 1062484783 /nfs/dbraw/zinc/48/47/83/1062484783.db2.gz BWLQEZWWUQKREJ-IYBDPMFKSA-N 0 3 323.396 2.139 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)nc1 ZINC001480231362 1062494568 /nfs/dbraw/zinc/49/45/68/1062494568.db2.gz GDRSLSZRWLDQOR-TXEJJXNPSA-N 0 3 324.211 2.232 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@H](C)CCCNCC(=C)Cl)c1 ZINC001506940276 1062562777 /nfs/dbraw/zinc/56/27/77/1062562777.db2.gz BYCCNJZGDWHGBD-CYBMUJFWSA-N 0 3 305.809 2.304 20 30 DEEDHN C=C(Cl)CN1CCCC[C@H]1CNC(=O)CN(C)CCC ZINC001480332997 1062667301 /nfs/dbraw/zinc/66/73/01/1062667301.db2.gz PKLRXLUXYSUXSU-AWEZNQCLSA-N 0 3 301.862 2.051 20 30 DEEDHN Cc1cc(C(=O)N(C)C[C@H](C)NCc2ccc(C#N)s2)no1 ZINC001507044345 1062723906 /nfs/dbraw/zinc/72/39/06/1062723906.db2.gz ANRBCFMXBIUSAU-JTQLQIEISA-N 0 3 318.402 2.167 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001480384718 1062765382 /nfs/dbraw/zinc/76/53/82/1062765382.db2.gz CJRHWOKRUJCBQD-HUUCEWRRSA-N 0 3 315.889 2.297 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)/C(C)=C\C ZINC001507062936 1062761576 /nfs/dbraw/zinc/76/15/76/1062761576.db2.gz UBRZNLFKYOZFIP-RPZAIAHZSA-N 0 3 323.481 2.202 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ccc(F)cc2)C1 ZINC001480386640 1062768736 /nfs/dbraw/zinc/76/87/36/1062768736.db2.gz KQXWNVLZYOZFIJ-HOCLYGCPSA-N 0 3 302.393 2.218 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1c(F)c(F)cc(F)c1F ZINC001507074914 1062787071 /nfs/dbraw/zinc/78/70/71/1062787071.db2.gz AJLGTHNUFMWHDY-SECBINFHSA-N 0 3 316.298 2.316 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1csc(-c2ccco2)n1 ZINC001507114652 1062857759 /nfs/dbraw/zinc/85/77/59/1062857759.db2.gz JEEAQYUSDBMJKD-GFCCVEGCSA-N 0 3 317.414 2.477 20 30 DEEDHN C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NCc1ccc(C#N)c(F)c1 ZINC001480505740 1062952721 /nfs/dbraw/zinc/95/27/21/1062952721.db2.gz MPCUWIRHZYAZFJ-WBHUJUFNSA-N 0 3 315.392 2.482 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2ccns2)[C@H]1C ZINC001507277330 1063020123 /nfs/dbraw/zinc/02/01/23/1063020123.db2.gz 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1063198742 /nfs/dbraw/zinc/19/87/42/1063198742.db2.gz MFADXBFKMFXDOS-OALUTQOASA-N 0 3 321.424 2.489 20 30 DEEDHN Cc1csc(CN[C@@H]2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001480692961 1063198979 /nfs/dbraw/zinc/19/89/79/1063198979.db2.gz KBMONBABHCWKPQ-CABCVRRESA-N 0 3 317.458 2.382 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001480707585 1063221102 /nfs/dbraw/zinc/22/11/02/1063221102.db2.gz CFPXGOODRYUVHR-GJZGRUSLSA-N 0 3 321.421 2.093 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](CNCc2nccnc2C)C1 ZINC001507392239 1063221752 /nfs/dbraw/zinc/22/17/52/1063221752.db2.gz CODHETHQLIJGKQ-HUUCEWRRSA-N 0 3 302.422 2.126 20 30 DEEDHN C=CCCOCC(=O)N[C@@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001480707589 1063222812 /nfs/dbraw/zinc/22/28/12/1063222812.db2.gz CFPXGOODRYUVHR-HUUCEWRRSA-N 0 3 321.421 2.093 20 30 DEEDHN CCc1ccccc1CN(C)CCNC(=O)CSCC#N ZINC001480843578 1063447205 /nfs/dbraw/zinc/44/72/05/1063447205.db2.gz CFDPUXVMCGYZSV-UHFFFAOYSA-N 0 3 305.447 2.054 20 30 DEEDHN 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1066018320 /nfs/dbraw/zinc/01/83/20/1066018320.db2.gz ADPZTIPREMTCEL-STQMWFEESA-N 0 3 319.453 2.005 20 30 DEEDHN CCO[C@@H](C)C(=O)N(CC)CCNCc1ccc(C#N)c(F)c1 ZINC001497360067 1066050079 /nfs/dbraw/zinc/05/00/79/1066050079.db2.gz JHOLYIFCXKJSET-ZDUSSCGKSA-N 0 3 321.396 2.060 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)C[C@H](C)n2cccn2)C(C)(C)C1 ZINC001570400218 1066051505 /nfs/dbraw/zinc/05/15/05/1066051505.db2.gz UAMJXSWGLXRREK-HOTGVXAUSA-N 0 3 316.449 2.074 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2ccc(Cl)cc2)C[C@H]1C ZINC001570449175 1066077306 /nfs/dbraw/zinc/07/73/06/1066077306.db2.gz MXGNPGOKVVOSKO-HIFRSBDPSA-N 0 3 320.820 2.321 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)COc2cccc(Cl)c2)C[C@H]1C ZINC001570449616 1066078459 /nfs/dbraw/zinc/07/84/59/1066078459.db2.gz RZVAYHXSOOQKNX-HIFRSBDPSA-N 0 3 320.820 2.321 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCOC ZINC001570520747 1066103264 /nfs/dbraw/zinc/10/32/64/1066103264.db2.gz ODDYZFHPRPPVMF-SJLPKXTDSA-N 0 3 302.418 2.361 20 30 DEEDHN CC#CCNCCN(CC)C(=O)COc1ccc(Cl)cc1 ZINC001497493430 1066115572 /nfs/dbraw/zinc/11/55/72/1066115572.db2.gz WVCZSJVVDQWFKA-UHFFFAOYSA-N 0 3 308.809 2.180 20 30 DEEDHN C=CCOCC(=O)N[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC001497803687 1066329978 /nfs/dbraw/zinc/32/99/78/1066329978.db2.gz DNVRWXNJQOODEZ-LLVKDONJSA-N 0 3 314.788 2.276 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)CCC1CC1 ZINC001498026381 1066465668 /nfs/dbraw/zinc/46/56/68/1066465668.db2.gz NIPRHXPBNLMZQO-ZDUSSCGKSA-N 0 3 315.417 2.351 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001498030879 1066468766 /nfs/dbraw/zinc/46/87/66/1066468766.db2.gz FPDZAANTJLNOMJ-DOTOQJQBSA-N 0 3 323.481 2.036 20 30 DEEDHN CC1(C)CCc2onc(CNC(=O)[C@H](N)CCCCC#N)c2C1 ZINC001576446178 1066608972 /nfs/dbraw/zinc/60/89/72/1066608972.db2.gz KVPCCRONYOZJLJ-CYBMUJFWSA-N 0 3 318.421 2.217 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)[C@H](CC)SC ZINC001498535177 1066768255 /nfs/dbraw/zinc/76/82/55/1066768255.db2.gz ZYKLGEIMIZHLDF-NSHDSACASA-N 0 3 323.300 2.475 20 30 DEEDHN C=C(Br)CNCCCN(C)C(=O)[C@@H](CC)SC ZINC001498535174 1066768497 /nfs/dbraw/zinc/76/84/97/1066768497.db2.gz ZYKLGEIMIZHLDF-LLVKDONJSA-N 0 3 323.300 2.475 20 30 DEEDHN CCN(Cc1ccccc1F)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001577740449 1066919598 /nfs/dbraw/zinc/91/95/98/1066919598.db2.gz MNVHIUUBXKACKH-CSLYMUCUSA-N 0 3 315.392 2.314 20 30 DEEDHN CCc1ccc2c(c1)CCN(C(=O)C1CC3(C1)CNC[C@H]3C#N)C2 ZINC001578263757 1067039846 /nfs/dbraw/zinc/03/98/46/1067039846.db2.gz WCGFETHFXSSSJL-QPIRBTGLSA-N 0 3 323.440 2.273 20 30 DEEDHN C=CCCCC(=O)N[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001578670292 1067146887 /nfs/dbraw/zinc/14/68/87/1067146887.db2.gz DGWPDLUUXQXQJB-SHTZXODSSA-N 0 3 323.481 2.084 20 30 DEEDHN COc1cc(CNC(=O)c2cccc3c2CNC3)ccc1C#N ZINC001579152873 1067244090 /nfs/dbraw/zinc/24/40/90/1067244090.db2.gz LZBAHLVFICCZIT-UHFFFAOYSA-N 0 3 307.353 2.100 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001267011374 1078497284 /nfs/dbraw/zinc/49/72/84/1078497284.db2.gz LYVMCEHQIUTIRG-HNNXBMFYSA-N 0 3 302.422 2.078 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001499598591 1067273458 /nfs/dbraw/zinc/27/34/58/1067273458.db2.gz AMICXJJSXJXDHI-LJQANCHMSA-N 0 3 311.429 2.310 20 30 DEEDHN COCC#CCN1CC[C@@]2(CCN(C(=O)CCC3(C)CC3)C2)C1 ZINC001499617037 1067279314 /nfs/dbraw/zinc/27/93/14/1067279314.db2.gz WVOAFQAVHIRBBS-LJQANCHMSA-N 0 3 318.461 2.141 20 30 DEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC001483389369 1078500147 /nfs/dbraw/zinc/50/01/47/1078500147.db2.gz GTJPCXIVXNPRMX-AWEZNQCLSA-N 0 3 315.417 2.421 20 30 DEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2nccn2C)C[C@H]1C ZINC001499842967 1067358079 /nfs/dbraw/zinc/35/80/79/1067358079.db2.gz DLRGYECWFYAONT-CVEARBPZSA-N 0 3 316.449 2.083 20 30 DEEDHN Cc1cccc(Cn2nccc2NC(=O)[C@@H](N)CCCC#N)c1 ZINC001579766992 1067419174 /nfs/dbraw/zinc/41/91/74/1067419174.db2.gz JPLLKJUVOWRZCE-HNNXBMFYSA-N 0 3 311.389 2.200 20 30 DEEDHN Cc1ccccc1[C@]1(F)CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC001579795094 1067425260 /nfs/dbraw/zinc/42/52/60/1067425260.db2.gz IXMVPDMNYNSKMC-RDJZCZTQSA-N 0 3 303.381 2.413 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC[C@H](c1ccccc1)C1CC1)C2 ZINC001580044203 1067480851 /nfs/dbraw/zinc/48/08/51/1067480851.db2.gz XPWWKNZIKBVUPP-SFANZJOMSA-N 0 3 323.440 2.436 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCOc2cc(F)c(F)cc21 ZINC001580050427 1067481682 /nfs/dbraw/zinc/48/16/82/1067481682.db2.gz AJHKFFRBEOHYNH-GFCCVEGCSA-N 0 3 309.316 2.101 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001580050611 1067482934 /nfs/dbraw/zinc/48/29/34/1067482934.db2.gz GWBBRGJRODPWQF-MRXNPFEDSA-N 0 3 313.401 2.177 20 30 DEEDHN N#CCCCOc1cccc(CN[C@@H]2CNCCC2(F)F)c1 ZINC001580051431 1067482947 /nfs/dbraw/zinc/48/29/47/1067482947.db2.gz HFKRJZFRKYLBMI-OAHLLOKOSA-N 0 3 309.360 2.456 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(C)CCCNCc1cc2n(n1)CCC2 ZINC001483484623 1078561009 /nfs/dbraw/zinc/56/10/09/1078561009.db2.gz QTXQWRQZAKGMSP-UHFFFAOYSA-N 0 3 318.465 2.370 20 30 DEEDHN CCCCCCCC[C@H](CO)NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001638550829 1078568854 /nfs/dbraw/zinc/56/88/54/1078568854.db2.gz RCDSLMATDORMDT-BZUAXINKSA-N 0 3 313.486 2.490 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C(C)C)nn1C ZINC001483502187 1078571620 /nfs/dbraw/zinc/57/16/20/1078571620.db2.gz PQXGVYCXMDDGMK-UHFFFAOYSA-N 0 3 312.845 2.348 20 30 DEEDHN C#CCCCC(=O)NCC[C@@H](C)N[C@@H](C)c1cnc(C)cn1 ZINC001267125074 1078601147 /nfs/dbraw/zinc/60/11/47/1078601147.db2.gz MUNFKEPHSRHBEG-HIFRSBDPSA-N 0 3 302.422 2.134 20 30 DEEDHN C=C1CC(C)(C(=O)NCC[C@@H](C)NCc2nccnc2C)C1 ZINC001267145850 1078611732 /nfs/dbraw/zinc/61/17/32/1078611732.db2.gz UHMGIWJNNNTDQD-CYBMUJFWSA-N 0 3 302.422 2.126 20 30 DEEDHN COc1cc(Cl)ccc1CN[C@@H](C)CN(C)C(=O)[C@H](C)C#N ZINC001369231528 1148875803 /nfs/dbraw/zinc/87/58/03/1148875803.db2.gz FKDSNGCOQDLTFL-NEPJUHHUSA-N 0 3 323.824 2.445 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C[C@H](C)n1ccc(C)n1 ZINC001570537207 1067993066 /nfs/dbraw/zinc/99/30/66/1067993066.db2.gz ZGJIDZOIWBPCNX-JKSUJKDBSA-N 0 3 304.438 2.251 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1ccc(C)n1 ZINC001570537205 1067994245 /nfs/dbraw/zinc/99/42/45/1067994245.db2.gz ZGJIDZOIWBPCNX-HOTGVXAUSA-N 0 3 304.438 2.251 20 30 DEEDHN Cc1csc(CNCC2CC(NC(=O)C#CC(C)C)C2)n1 ZINC001570560156 1068005235 /nfs/dbraw/zinc/00/52/35/1068005235.db2.gz NDCDRQSKOZLMHL-UHFFFAOYSA-N 0 3 305.447 2.095 20 30 DEEDHN CC#CCNC1(CNC(=O)Cc2cccc(Cl)c2F)CC1 ZINC001670863834 1078633905 /nfs/dbraw/zinc/63/39/05/1078633905.db2.gz DNLTVXIYNHGWPM-UHFFFAOYSA-N 0 3 308.784 2.283 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)c1cccnc1 ZINC001570584907 1068021481 /nfs/dbraw/zinc/02/14/81/1068021481.db2.gz RTYOACCFRBFEDC-HOTGVXAUSA-N 0 3 307.397 2.230 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)Nc1ccccc1 ZINC001570606758 1068033652 /nfs/dbraw/zinc/03/36/52/1068033652.db2.gz BVHRAEJUYNTBHG-GJZGRUSLSA-N 0 3 317.433 2.464 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C)CCCCC1 ZINC001570653635 1068056537 /nfs/dbraw/zinc/05/65/37/1068056537.db2.gz ULTSEDWFARZMBC-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001570718435 1068092994 /nfs/dbraw/zinc/09/29/94/1068092994.db2.gz WGYKJCSZRIHHIM-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001570718435 1068093006 /nfs/dbraw/zinc/09/30/06/1068093006.db2.gz WGYKJCSZRIHHIM-LBPRGKRZSA-N 0 3 318.421 2.076 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001570845135 1068137509 /nfs/dbraw/zinc/13/75/09/1068137509.db2.gz CWRKXGQVCJPXRL-HNNXBMFYSA-N 0 3 321.424 2.237 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)C[C@H](C)C2CC2)C(C)(C)C1 ZINC001570908977 1068158102 /nfs/dbraw/zinc/15/81/02/1068158102.db2.gz ALJIHXUQKZAPHQ-HOCLYGCPSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)COCCC)C[C@@H]2C1 ZINC001571015600 1068173688 /nfs/dbraw/zinc/17/36/88/1068173688.db2.gz NKSDBDUNTPRGNI-ZNMIVQPWSA-N 0 3 314.857 2.382 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](CNCc2ccc(F)cn2)C1 ZINC001571148282 1068186638 /nfs/dbraw/zinc/18/66/38/1068186638.db2.gz NWAAJUAEMWKTQK-CZIWCDLHSA-N 0 3 317.408 2.399 20 30 DEEDHN C=C1CCC(C(=O)NCCN(C)CCO[C@@H]2CC2(F)F)CC1 ZINC001267215089 1078672030 /nfs/dbraw/zinc/67/20/30/1078672030.db2.gz ICRBIGKGGKEFDB-CQSZACIVSA-N 0 3 316.392 2.205 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC1(C)CCCC1 ZINC001571385266 1068265458 /nfs/dbraw/zinc/26/54/58/1068265458.db2.gz DOYUKPZULZJEQN-GJZGRUSLSA-N 0 3 323.481 2.084 20 30 DEEDHN CCCC[C@@H](CNCc1cncc(F)c1)NC(=O)[C@@H](C)C#N ZINC001409820362 1078683059 /nfs/dbraw/zinc/68/30/59/1078683059.db2.gz GYJLDARWZXHYMV-WFASDCNBSA-N 0 3 306.385 2.145 20 30 DEEDHN C[C@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CSCC#N ZINC001571470403 1068323024 /nfs/dbraw/zinc/32/30/24/1068323024.db2.gz CSEONRFXLSMVME-JSGCOSHPSA-N 0 3 321.421 2.161 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(CC)Cc1cccc(C)c1 ZINC001267240098 1078690544 /nfs/dbraw/zinc/69/05/44/1078690544.db2.gz 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ZINC001571557431 1068418830 /nfs/dbraw/zinc/41/88/30/1068418830.db2.gz OUZJCJMECNDYMN-MRXNPFEDSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001571607690 1068436666 /nfs/dbraw/zinc/43/66/66/1068436666.db2.gz PELJWEBDTYIIJV-AWEZNQCLSA-N 0 3 308.422 2.262 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)Cc2ccc(OC)cc2)CC1 ZINC001571646327 1068457040 /nfs/dbraw/zinc/45/70/40/1068457040.db2.gz QIIWUNGQRDZXLR-OAHLLOKOSA-N 0 3 314.429 2.088 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(NCc2cnc(C)nc2)C1 ZINC001571662045 1068467368 /nfs/dbraw/zinc/46/73/68/1068467368.db2.gz NOOLXLNVAWHOSJ-UHFFFAOYSA-N 0 3 302.422 2.220 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)[C@H](OC)[C@@H](C)CC)CC2)CC1 ZINC001571668960 1068469728 /nfs/dbraw/zinc/46/97/28/1068469728.db2.gz JVMJYFJLMNYJMO-DOTOQJQBSA-N 0 3 320.477 2.432 20 30 DEEDHN CN(C)C1(C(=O)N(C)CCOCc2ccc(C#N)cc2)CCC1 ZINC001641856950 1078731272 /nfs/dbraw/zinc/73/12/72/1078731272.db2.gz IDMCOKVCEDTEKU-UHFFFAOYSA-N 0 3 315.417 2.018 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001483656473 1078748622 /nfs/dbraw/zinc/74/86/22/1078748622.db2.gz PBQHMXUQBHVRKT-ZIAGYGMSSA-N 0 3 319.453 2.192 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)CCOc2cccc(C)c2)C1 ZINC001267305084 1078751737 /nfs/dbraw/zinc/75/17/37/1078751737.db2.gz GXJFJGVEKWWSNJ-KRWDZBQOSA-N 0 3 314.429 2.225 20 30 DEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001483661270 1078760718 /nfs/dbraw/zinc/76/07/18/1078760718.db2.gz ILYLYVKHRVXSRQ-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001514406926 1068703511 /nfs/dbraw/zinc/70/35/11/1068703511.db2.gz LFDGWOCKPGHFHL-HZPDHXFCSA-N 0 3 323.481 2.227 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC001484933004 1079864067 /nfs/dbraw/zinc/86/40/67/1079864067.db2.gz VMAZAGCQVFBDGR-MNOVXSKESA-N 0 3 305.344 2.315 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)Cc1c[nH]c3cccc(C#N)c13)CC2 ZINC001272300066 1078793668 /nfs/dbraw/zinc/79/36/68/1078793668.db2.gz GCRZJHVTIKVMSS-UHFFFAOYSA-N 0 3 322.412 2.136 20 30 DEEDHN CCc1[nH]ccc1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267367730 1078797988 /nfs/dbraw/zinc/79/79/88/1078797988.db2.gz HOCHHWXNOCSUSR-UHFFFAOYSA-N 0 3 316.430 2.372 20 30 DEEDHN COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2cccc(F)n2)c1C ZINC001516710094 1068939070 /nfs/dbraw/zinc/93/90/70/1068939070.db2.gz DTKOJYMVTJULFI-JTQLQIEISA-N 0 3 315.304 2.442 20 30 DEEDHN COC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2cccc(F)n2)c1C ZINC001516710094 1068939081 /nfs/dbraw/zinc/93/90/81/1068939081.db2.gz DTKOJYMVTJULFI-JTQLQIEISA-N 0 3 315.304 2.442 20 30 DEEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H](C)CO1)c1ccccc1 ZINC001518427298 1069004669 /nfs/dbraw/zinc/00/46/69/1069004669.db2.gz RDIFVXQWGRUPRT-OJLVUWQFSA-N 0 3 314.385 2.388 20 30 DEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001483705820 1078830290 /nfs/dbraw/zinc/83/02/90/1078830290.db2.gz JIRHOIUUPVMUAC-IAGOWNOFSA-N 0 3 301.434 2.056 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC)OCC ZINC001267410530 1078832371 /nfs/dbraw/zinc/83/23/71/1078832371.db2.gz SHAKKBMYJOPIQO-WCXIOVBPSA-N 0 3 324.465 2.068 20 30 DEEDHN C#CCOc1ccccc1NC(=O)NC[C@H]1CCCCN1C ZINC001520259256 1069113816 /nfs/dbraw/zinc/11/38/16/1069113816.db2.gz WUBZNFPLDFYDBM-CQSZACIVSA-N 0 3 301.390 2.304 20 30 DEEDHN C#C[C@H](NC(=O)c1ccc2c(c1)OCCNC2)c1ccccc1 ZINC001574505016 1069231330 /nfs/dbraw/zinc/23/13/30/1069231330.db2.gz OMTPFHCNEHTPEQ-KRWDZBQOSA-N 0 3 306.365 2.273 20 30 DEEDHN C#CC[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC001574505677 1069233009 /nfs/dbraw/zinc/23/30/09/1069233009.db2.gz YAYKVRCKEVKODJ-DHADLLTHSA-N 0 3 307.397 2.007 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@H](C)c2cccc(F)c2)CC1 ZINC001483721878 1078870940 /nfs/dbraw/zinc/87/09/40/1078870940.db2.gz MEOPGZYIEJPPEG-CYBMUJFWSA-N 0 3 306.381 2.328 20 30 DEEDHN C=C(C)CCC(=O)Nc1sc2c(c1C(=O)OC)CCNC2 ZINC001574835196 1069274211 /nfs/dbraw/zinc/27/42/11/1069274211.db2.gz LMMNTXQMMDEMOA-UHFFFAOYSA-N 0 3 308.403 2.475 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC001574852649 1069277666 /nfs/dbraw/zinc/27/76/66/1069277666.db2.gz XMXBEUANQOSWMH-STQMWFEESA-N 0 3 310.781 2.105 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC001574856659 1069279772 /nfs/dbraw/zinc/27/97/72/1069279772.db2.gz DRHJGEWPNHATRU-LBPRGKRZSA-N 0 3 308.744 2.420 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC001574902714 1069291032 /nfs/dbraw/zinc/29/10/32/1069291032.db2.gz DLTWDJAMGZMTAM-KGLIPLIRSA-N 0 3 314.788 2.312 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC001574902784 1069291427 /nfs/dbraw/zinc/29/14/27/1069291427.db2.gz GVPQSBWTFLRKKH-FZMZJTMJSA-N 0 3 304.394 2.038 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC001574902892 1069292614 /nfs/dbraw/zinc/29/26/14/1069292614.db2.gz IUFZKMKDEQDRJX-WMZOPIPTSA-N 0 3 300.402 2.328 20 30 DEEDHN CC#CCNCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001267471519 1078889965 /nfs/dbraw/zinc/88/99/65/1078889965.db2.gz JGWLOWZHMLPOCA-UONOGXRCSA-N 0 3 306.356 2.140 20 30 DEEDHN CCCCCCCN1CCC[C@]12CCN(CC(=O)NCC)C2=O ZINC001272475952 1078908080 /nfs/dbraw/zinc/90/80/80/1078908080.db2.gz HTUOGZZLCMNAOW-GOSISDBHSA-N 0 3 323.481 2.160 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2cnn(CC)c2C)C1 ZINC001267488635 1078914418 /nfs/dbraw/zinc/91/44/18/1078914418.db2.gz NOKVZWYHGAFSEW-INIZCTEOSA-N 0 3 316.449 2.161 20 30 DEEDHN C=CCOCC(=O)NCC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001267509845 1078939411 /nfs/dbraw/zinc/93/94/11/1078939411.db2.gz XPHOOQJCKOGMTQ-HNNXBMFYSA-N 0 3 320.408 2.357 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](NCCCO)c2ccccc2)cc1 ZINC001267519517 1078948869 /nfs/dbraw/zinc/94/88/69/1078948869.db2.gz JFEYBYCMMSUKAQ-LJQANCHMSA-N 0 3 322.408 2.111 20 30 DEEDHN C=CCN[C@@H](CNC(=O)[C@@H]1CCn2cncc2C1)c1ccccc1 ZINC001267520562 1078950766 /nfs/dbraw/zinc/95/07/66/1078950766.db2.gz MJDFQTQPBQBMGO-AEFFLSMTSA-N 0 3 324.428 2.079 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2ncccc2F)C1 ZINC001267546871 1078977194 /nfs/dbraw/zinc/97/71/94/1078977194.db2.gz TVIRISANQRDHBJ-OAHLLOKOSA-N 0 3 317.408 2.099 20 30 DEEDHN C=CCN1C[C@]2(CC1=O)COCCN(Cc1ccccc1C)C2 ZINC001272637299 1079025748 /nfs/dbraw/zinc/02/57/48/1079025748.db2.gz KJGUWNSUMSQJBA-LJQANCHMSA-N 0 3 314.429 2.232 20 30 DEEDHN C#CCN(C)CCC[NH2+]Cc1c([O-])cccc1Br ZINC000706828453 1086652428 /nfs/dbraw/zinc/65/24/28/1086652428.db2.gz DJPKTVMAQFNQGU-UHFFFAOYSA-N 0 3 311.223 2.199 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3cccc(F)c3)CC2)C1=O ZINC001272653307 1079050751 /nfs/dbraw/zinc/05/07/51/1079050751.db2.gz IVUTXMQUKMFVHO-UHFFFAOYSA-N 0 3 300.377 2.273 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H](CCC)OC)C1 ZINC001368640359 1148543541 /nfs/dbraw/zinc/54/35/41/1148543541.db2.gz CTRJZPTZYYBLMZ-BFHYXJOUSA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cncn1C ZINC001272669433 1079097214 /nfs/dbraw/zinc/09/72/14/1079097214.db2.gz BXXDQTXCWBEJRG-UHFFFAOYSA-N 0 3 312.417 2.358 20 30 DEEDHN C#CCNC1(CNC(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC001483796166 1079122097 /nfs/dbraw/zinc/12/20/97/1079122097.db2.gz QQFIABSWHUULCJ-ZDUSSCGKSA-N 0 3 304.821 2.390 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN2CCOCC=C)cc1 ZINC001481049669 1079125550 /nfs/dbraw/zinc/12/55/50/1079125550.db2.gz DZDRUFSUTRBSCG-SFHVURJKSA-N 0 3 312.413 2.065 20 30 DEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)OCC3CC3)C2)C1 ZINC001483830919 1079140879 /nfs/dbraw/zinc/14/08/79/1079140879.db2.gz PWSLJINRWNEGAO-LPHOPBHVSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)CCCOC)C2)C1 ZINC001483832892 1079142734 /nfs/dbraw/zinc/14/27/34/1079142734.db2.gz PIIAWJOBTZLJKC-PKOBYXMFSA-N 0 3 320.477 2.387 20 30 DEEDHN C#CCN1CCC2(CCN(C(=O)COCC3CCCC3)C2)CC1 ZINC001483836150 1079150822 /nfs/dbraw/zinc/15/08/22/1079150822.db2.gz XKPONTCKZUHDNS-UHFFFAOYSA-N 0 3 318.461 2.141 20 30 DEEDHN CCc1noc(C)c1CNC[C@@H]1CCCN1C(=O)C#CC(C)C ZINC001483931655 1079193792 /nfs/dbraw/zinc/19/37/92/1079193792.db2.gz PCXNVMNPCHCWMP-HNNXBMFYSA-N 0 3 317.433 2.285 20 30 DEEDHN C=Cc1ccc(C(=O)NC[C@@H]2CCN(CC#CCOC)C2)cc1 ZINC001481112403 1079196838 /nfs/dbraw/zinc/19/68/38/1079196838.db2.gz OYNVWMZKEXQPLQ-KRWDZBQOSA-N 0 3 312.413 2.031 20 30 DEEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@@H](C)CCC)C2)CC1 ZINC001483975537 1079221191 /nfs/dbraw/zinc/22/11/91/1079221191.db2.gz DFKKCXZLOWQYDN-JKSUJKDBSA-N 0 3 306.450 2.043 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC1(C)CCN(CC#CC)CC1 ZINC001483974792 1079220479 /nfs/dbraw/zinc/22/04/79/1079220479.db2.gz RCNFOPPJJOCOGD-UHFFFAOYSA-N 0 3 308.425 2.204 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)OCCC=C)C2 ZINC001484019329 1079245385 /nfs/dbraw/zinc/24/53/85/1079245385.db2.gz ANZGLLZCMKVLEO-IEBWSBKVSA-N 0 3 318.461 2.305 20 30 DEEDHN N#Cc1cccc(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001646192053 1074366757 /nfs/dbraw/zinc/36/67/57/1074366757.db2.gz GCBTXZXNYWNTRR-SFHVURJKSA-N 0 3 320.396 2.072 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cccc(OC)c1F ZINC001481149759 1079256991 /nfs/dbraw/zinc/25/69/91/1079256991.db2.gz LBIWQVAYXUNUIR-UHFFFAOYSA-N 0 3 306.381 2.299 20 30 DEEDHN COCc1cccc(CN2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)c1 ZINC001484035963 1079258575 /nfs/dbraw/zinc/25/85/75/1079258575.db2.gz BYVHSOKNYLGPKR-KBXCAEBGSA-N 0 3 315.417 2.073 20 30 DEEDHN C=CCOCCN1CC[C@](C)(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001484069384 1079290242 /nfs/dbraw/zinc/29/02/42/1079290242.db2.gz IVSQQMOYCDZZSE-SFHVURJKSA-N 0 3 319.449 2.039 20 30 DEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC001267631723 1079314337 /nfs/dbraw/zinc/31/43/37/1079314337.db2.gz CMMGWKUUCMRCPQ-IRXDYDNUSA-N 0 3 321.465 2.004 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)C[C@@H](C)n2cccc2)CC1 ZINC001484146061 1079323444 /nfs/dbraw/zinc/32/34/44/1079323444.db2.gz RDOHYGKVIWEEQB-MRXNPFEDSA-N 0 3 301.434 2.291 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cccc(F)c2F)CC1 ZINC001484141851 1079325804 /nfs/dbraw/zinc/32/58/04/1079325804.db2.gz IXZKHCFGCXOVFZ-UHFFFAOYSA-N 0 3 306.356 2.430 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CN1CCCC1=O ZINC001647358011 1074894163 /nfs/dbraw/zinc/89/41/63/1074894163.db2.gz XLCRNKYOZKNNHB-CYBMUJFWSA-N 0 3 321.808 2.217 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001484172406 1079337117 /nfs/dbraw/zinc/33/71/17/1079337117.db2.gz HFNSVFIOSVLLDC-FUHWJXTLSA-N 0 3 316.449 2.076 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001484163413 1079337170 /nfs/dbraw/zinc/33/71/70/1079337170.db2.gz QXIIJIUQRLTARH-GOSISDBHSA-N 0 3 317.433 2.368 20 30 DEEDHN CSc1ccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cc1C#N ZINC001647395863 1074911902 /nfs/dbraw/zinc/91/19/02/1074911902.db2.gz YBFVYNGJGVYUNA-NEPJUHHUSA-N 0 3 318.446 2.172 20 30 DEEDHN CSc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1C#N ZINC001647395867 1074911984 /nfs/dbraw/zinc/91/19/84/1074911984.db2.gz YBFVYNGJGVYUNA-RYUDHWBXSA-N 0 3 318.446 2.172 20 30 DEEDHN CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccn1 ZINC001647565833 1074947814 /nfs/dbraw/zinc/94/78/14/1074947814.db2.gz WIWSTYSTBMTGLL-NVXWUHKLSA-N 0 3 311.385 2.434 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001565869970 1075058511 /nfs/dbraw/zinc/05/85/11/1075058511.db2.gz FKWHNEPOHZPHAP-JOCQHMNTSA-N 0 3 322.478 2.433 20 30 DEEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCCN1CCC ZINC001557386275 1075063758 /nfs/dbraw/zinc/06/37/58/1075063758.db2.gz FCGLAWBZRBLSNL-HNNXBMFYSA-N 0 3 322.449 2.054 20 30 DEEDHN C#CCCCCC(=O)NC[C@H]1CN(CCC#C)CCC1(F)F ZINC001484196070 1079353850 /nfs/dbraw/zinc/35/38/50/1079353850.db2.gz PWWJACFHYHJWOU-HNNXBMFYSA-N 0 3 310.388 2.277 20 30 DEEDHN C=CCOCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001267678192 1079367556 /nfs/dbraw/zinc/36/75/56/1079367556.db2.gz BGQOJGISYCNJKQ-UHFFFAOYSA-N 0 3 302.418 2.054 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(F)c2N)CC1 ZINC001565628481 1075183755 /nfs/dbraw/zinc/18/37/55/1075183755.db2.gz UREBOYBYRGADIM-UHFFFAOYSA-N 0 3 311.788 2.442 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CC2(C[C@@H]1C)CCN(CC#CC)CC2 ZINC001565923405 1075206366 /nfs/dbraw/zinc/20/63/66/1075206366.db2.gz YOUVBKWNJJAUSH-WMZOPIPTSA-N 0 3 318.461 2.040 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3(OC)CCC3)C2)CC1 ZINC001565923194 1075206713 /nfs/dbraw/zinc/20/67/13/1075206713.db2.gz WKLMOPCGPGHDKG-MRXNPFEDSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CCN(CCOC[C@H]2CCCO2)[C@@H]1C ZINC001566090631 1075228160 /nfs/dbraw/zinc/22/81/60/1075228160.db2.gz VHTWEMDMLYTKJK-ZACQAIPSSA-N 0 3 324.465 2.117 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1ccc(F)cc1Cl ZINC001566488536 1075258349 /nfs/dbraw/zinc/25/83/49/1075258349.db2.gz BQRFHHVRPRLRET-UHFFFAOYSA-N 0 3 310.800 2.483 20 30 DEEDHN C#CCCN1CC(CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001267693575 1079382835 /nfs/dbraw/zinc/38/28/35/1079382835.db2.gz KFPODFBCXKRTDD-UHFFFAOYSA-N 0 3 308.784 2.093 20 30 DEEDHN C#CCN(CCCNC(=O)COc1cccc(Cl)c1)C1CC1 ZINC001566602510 1075294185 /nfs/dbraw/zinc/29/41/85/1075294185.db2.gz DDAPCLLITYOTOV-UHFFFAOYSA-N 0 3 320.820 2.323 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001566662694 1075308419 /nfs/dbraw/zinc/30/84/19/1075308419.db2.gz IAXBDGORWYEQDC-WBVHZDCISA-N 0 3 322.474 2.198 20 30 DEEDHN CCC[C@@H](C)CC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 ZINC001566686122 1075317738 /nfs/dbraw/zinc/31/77/38/1075317738.db2.gz PYMMHPYJMOQLGW-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](NCc2cncn2C)C2CC2)CCC1 ZINC001566720321 1075326182 /nfs/dbraw/zinc/32/61/82/1075326182.db2.gz NXLOZQARIMZZJZ-MRXNPFEDSA-N 0 3 316.449 2.151 20 30 DEEDHN O=C(CC#Cc1ccccc1)N1CC[C@H](NC/C=C\Cl)C1 ZINC001566778506 1075342140 /nfs/dbraw/zinc/34/21/40/1075342140.db2.gz JKGSHBRCNFQLJB-XKGFZTIGSA-N 0 3 302.805 2.371 20 30 DEEDHN COCC#CCN[C@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001566778900 1075342277 /nfs/dbraw/zinc/34/22/77/1075342277.db2.gz FLZLBPIVXNIAGI-SFHVURJKSA-N 0 3 312.413 2.018 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[C@H]1C[C@@H]1C(F)F ZINC001566789606 1075345465 /nfs/dbraw/zinc/34/54/65/1075345465.db2.gz KHETUTLSMBZNBV-VGWMRTNUSA-N 0 3 318.367 2.176 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1(C(F)F)CC1 ZINC001566839356 1075358722 /nfs/dbraw/zinc/35/87/22/1075358722.db2.gz VXIUBZRYMCMLSD-GASCZTMLSA-N 0 3 318.367 2.320 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)C(C)(C)C2CCOCC2)C1 ZINC001566872196 1075368968 /nfs/dbraw/zinc/36/89/68/1075368968.db2.gz TZDQXQJABGYUIQ-MRXNPFEDSA-N 0 3 320.477 2.291 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H](CNCc2nnc(C(C)C)[nH]2)C1 ZINC001566884909 1075373909 /nfs/dbraw/zinc/37/39/09/1075373909.db2.gz HTDJPCPDNGMPGD-CQSZACIVSA-N 0 3 319.453 2.223 20 30 DEEDHN C#CCCCC(=O)N1CCC[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001566892454 1075374958 /nfs/dbraw/zinc/37/49/58/1075374958.db2.gz NMZBWBNNMYMPPU-JKSUJKDBSA-N 0 3 314.433 2.169 20 30 DEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001566929758 1075391027 /nfs/dbraw/zinc/39/10/27/1075391027.db2.gz IKSQWLUUXILPLX-HNNXBMFYSA-N 0 3 305.422 2.110 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001566966783 1075402835 /nfs/dbraw/zinc/40/28/35/1075402835.db2.gz ZEPVLBWUPYQHMW-IAGOWNOFSA-N 0 3 306.450 2.209 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H](C)NCc1cnn(-c2ccccc2)c1 ZINC001567014694 1075415675 /nfs/dbraw/zinc/41/56/75/1075415675.db2.gz DNJFKLKPMOBXDY-INIZCTEOSA-N 0 3 324.428 2.126 20 30 DEEDHN C[C@@H](CNC(=O)/C=C/c1ccc[nH]1)NCc1ccc(C#N)s1 ZINC001567011790 1075415865 /nfs/dbraw/zinc/41/58/65/1075415865.db2.gz LYPCAWVPYQVAJH-NTYUQYKDSA-N 0 3 314.414 2.256 20 30 DEEDHN C=CCCCCCN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001267732763 1079423073 /nfs/dbraw/zinc/42/30/73/1079423073.db2.gz MXIWEWVTLFHFQJ-HNNXBMFYSA-N 0 3 317.433 2.234 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001267753955 1079455287 /nfs/dbraw/zinc/45/52/87/1079455287.db2.gz GOEUHJLGUUBTFL-NVXWUHKLSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCCCC(=O)N(C)[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001267764994 1079469519 /nfs/dbraw/zinc/46/95/19/1079469519.db2.gz SSSFXIGUGVUGFX-ZWKOTPCHSA-N 0 3 314.429 2.056 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)CCC1 ZINC001267771599 1079478621 /nfs/dbraw/zinc/47/86/21/1079478621.db2.gz JTBONSIKATYTPY-INIZCTEOSA-N 0 3 316.449 2.162 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@H](C)n2cccn2)C1 ZINC001267789775 1079497958 /nfs/dbraw/zinc/49/79/58/1079497958.db2.gz KTCALIJUCUDINE-HOTGVXAUSA-N 0 3 304.438 2.333 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400660 1076446637 /nfs/dbraw/zinc/44/66/37/1076446637.db2.gz DANQSNAHRJYQMB-MAZHCROVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400660 1076446640 /nfs/dbraw/zinc/44/66/40/1076446640.db2.gz DANQSNAHRJYQMB-MAZHCROVSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2cc(-c3nnn[n-]3)cc(C)n2)CC1 ZINC001588429851 1076448385 /nfs/dbraw/zinc/44/83/85/1076448385.db2.gz IEDUNDIKYUCYHC-UHFFFAOYSA-N 0 3 313.409 2.023 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2cc(-c3nn[n-]n3)cc(C)n2)CC1 ZINC001588429851 1076448388 /nfs/dbraw/zinc/44/83/88/1076448388.db2.gz IEDUNDIKYUCYHC-UHFFFAOYSA-N 0 3 313.409 2.023 20 30 DEEDHN CC1(C#N)CCC([NH2+]CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590054975 1076554812 /nfs/dbraw/zinc/55/48/12/1076554812.db2.gz OMQIOVWJXQLYPU-UHFFFAOYSA-N 0 3 310.405 2.471 20 30 DEEDHN CC1(C#N)CCC([NH2+]CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590054975 1076554819 /nfs/dbraw/zinc/55/48/19/1076554819.db2.gz OMQIOVWJXQLYPU-UHFFFAOYSA-N 0 3 310.405 2.471 20 30 DEEDHN C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053280 1077749737 /nfs/dbraw/zinc/74/97/37/1077749737.db2.gz FHVGUJZSXVEIAV-GOEBONIOSA-N 0 3 313.405 2.161 20 30 DEEDHN C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053280 1077749741 /nfs/dbraw/zinc/74/97/41/1077749741.db2.gz FHVGUJZSXVEIAV-GOEBONIOSA-N 0 3 313.405 2.161 20 30 DEEDHN CC[C@H](C)N1CCN(c2nnc(C(C)(C)C#N)n2CC)CC1 ZINC001650292735 1079504889 /nfs/dbraw/zinc/50/48/89/1079504889.db2.gz JZYLXUGJSPDOQL-ZDUSSCGKSA-N 0 3 304.442 2.020 20 30 DEEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)C1(C)CCCCC1 ZINC001267818921 1079513535 /nfs/dbraw/zinc/51/35/35/1079513535.db2.gz QEBBDHFMBIKITM-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN C=CCN[C@@H](CNC(=O)Cc1c[nH]cn1)c1ccccc1CC ZINC001484323004 1079538219 /nfs/dbraw/zinc/53/82/19/1079538219.db2.gz JKGRDVOFKMNCGD-KRWDZBQOSA-N 0 3 312.417 2.148 20 30 DEEDHN N#CC(C(=O)C[C@H]1CCC(=O)NC1)c1ccc2ccccc2n1 ZINC001650431359 1079617638 /nfs/dbraw/zinc/61/76/38/1079617638.db2.gz PCDJXEOLUIQSIN-TZMCWYRMSA-N 0 3 307.353 2.327 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2cc(CC)ccn2)cc1 ZINC001267938235 1079618881 /nfs/dbraw/zinc/61/88/81/1079618881.db2.gz PEEFNLLXCUPOKN-UHFFFAOYSA-N 0 3 307.397 2.297 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCOc1ccccc1 ZINC001484462744 1079620413 /nfs/dbraw/zinc/62/04/13/1079620413.db2.gz DMFSWHOHCFOTKZ-ZWKOTPCHSA-N 0 3 312.413 2.154 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2coc(CCC)n2)cc1 ZINC001267939093 1079621128 /nfs/dbraw/zinc/62/11/28/1079621128.db2.gz FTILJYMVZHCBCE-UHFFFAOYSA-N 0 3 311.385 2.280 20 30 DEEDHN Cc1nc(CNC[C@H](C)CNC(=O)C#CC(C)(C)C)cs1 ZINC001267986529 1079667709 /nfs/dbraw/zinc/66/77/09/1079667709.db2.gz SUEMKPURJMMCRE-LBPRGKRZSA-N 0 3 307.463 2.343 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(CC#CCOC)CC2 ZINC001484583120 1079670313 /nfs/dbraw/zinc/67/03/13/1079670313.db2.gz WZMVHIJIIMSGDQ-UHFFFAOYSA-N 0 3 318.461 2.163 20 30 DEEDHN C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(C)c(F)c1)CC2 ZINC001272685553 1079678252 /nfs/dbraw/zinc/67/82/52/1079678252.db2.gz BGDQGRJKOMQMEI-INIZCTEOSA-N 0 3 314.404 2.486 20 30 DEEDHN C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc(C)c(F)c1)CC2 ZINC001272685555 1079678599 /nfs/dbraw/zinc/67/85/99/1079678599.db2.gz BGDQGRJKOMQMEI-MRXNPFEDSA-N 0 3 314.404 2.486 20 30 DEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805868 1079682439 /nfs/dbraw/zinc/68/24/39/1079682439.db2.gz LZCGLLFUQYDLIY-HZMVEIRTSA-N 0 3 318.848 2.321 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001484615782 1079688057 /nfs/dbraw/zinc/68/80/57/1079688057.db2.gz NKYBNOADGPTEHZ-CZZMSJKLSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cncn2-c2ccccc2)CCC1 ZINC001484637389 1079704917 /nfs/dbraw/zinc/70/49/17/1079704917.db2.gz BHZVBPAPCNYJSG-UHFFFAOYSA-N 0 3 322.412 2.138 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)CCCC[C@H](C)CC)CCO1 ZINC001484678825 1079722625 /nfs/dbraw/zinc/72/26/25/1079722625.db2.gz QXIBKLQQEITSSU-IAGOWNOFSA-N 0 3 308.466 2.433 20 30 DEEDHN CCC(C)(C)CC(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001484715330 1079739725 /nfs/dbraw/zinc/73/97/25/1079739725.db2.gz NIMZPGNAOQRLHI-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)Cn1ccc2ccccc21 ZINC001484767462 1079793155 /nfs/dbraw/zinc/79/31/55/1079793155.db2.gz GDXKVGFNWOJFLF-UHFFFAOYSA-N 0 3 311.429 2.445 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H]1OCc2ccccc21 ZINC001484766501 1079793506 /nfs/dbraw/zinc/79/35/06/1079793506.db2.gz VCBAHQKZWCUZHT-SFHVURJKSA-N 0 3 314.429 2.452 20 30 DEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccc3nccn3c2)C1 ZINC001481409175 1079798163 /nfs/dbraw/zinc/79/81/63/1079798163.db2.gz JHXKMEOPYHNKBO-KRWDZBQOSA-N 0 3 324.428 2.284 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)C(C)(C)C1 ZINC000977676400 1079799544 /nfs/dbraw/zinc/79/95/44/1079799544.db2.gz XZWNSUUKHWZZOV-QGZVFWFLSA-N 0 3 313.445 2.288 20 30 DEEDHN C#CCOCCC(=O)N1CCC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001484827192 1079809556 /nfs/dbraw/zinc/80/95/56/1079809556.db2.gz JMVQGHDXFVBNTB-SJLPKXTDSA-N 0 3 324.440 2.089 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)CC)C1 ZINC001481415555 1079811499 /nfs/dbraw/zinc/81/14/99/1079811499.db2.gz ZHPXLNCEXFCZSE-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001484822295 1079814663 /nfs/dbraw/zinc/81/46/63/1079814663.db2.gz OGFIGDODBMZPLU-IEBWSBKVSA-N 0 3 316.445 2.265 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](OCC)C2CC2)cc1 ZINC001272690632 1079821752 /nfs/dbraw/zinc/82/17/52/1079821752.db2.gz CFWASROATBQMOR-KDOFPFPSSA-N 0 3 314.429 2.402 20 30 DEEDHN CCc1nc(C)c(CN2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)o1 ZINC001481423185 1079824704 /nfs/dbraw/zinc/82/47/04/1079824704.db2.gz OUXDMOPIHUSSIU-GXTWGEPZSA-N 0 3 318.421 2.033 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001484853910 1079825477 /nfs/dbraw/zinc/82/54/77/1079825477.db2.gz JOQOKIVRRQZWKH-AEFFLSMTSA-N 0 3 308.466 2.025 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2cnc(C)s2)C1 ZINC001484886059 1079836869 /nfs/dbraw/zinc/83/68/69/1079836869.db2.gz YPZXOPSKYVARGS-DOMZBBRYSA-N 0 3 305.447 2.192 20 30 DEEDHN Cc1nc2c(cnn2-c2ccccc2)c(NCC#CCN(C)C)n1 ZINC001652113210 1079852818 /nfs/dbraw/zinc/85/28/18/1079852818.db2.gz GPTOQTQHJYFXDK-UHFFFAOYSA-N 0 3 320.400 2.101 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(C)(NCc2nnc(C)[nH]2)CC1 ZINC001484921807 1079862915 /nfs/dbraw/zinc/86/29/15/1079862915.db2.gz FBWMABAZRAHFIF-CQSZACIVSA-N 0 3 319.453 2.186 20 30 DEEDHN CCOCCOC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001652291768 1079865394 /nfs/dbraw/zinc/86/53/94/1079865394.db2.gz YIVDYPKIZPGDLF-GOSISDBHSA-N 0 3 318.417 2.109 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC001481447822 1079867265 /nfs/dbraw/zinc/86/72/65/1079867265.db2.gz UNNRWRXEHXRRGK-CRAIPNDOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C[C@H](C=C)CC)CCO2 ZINC001485007193 1079915333 /nfs/dbraw/zinc/91/53/33/1079915333.db2.gz SFLQUVKQYYOBIV-MRXNPFEDSA-N 0 3 306.450 2.468 20 30 DEEDHN C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC001485044189 1079927185 /nfs/dbraw/zinc/92/71/85/1079927185.db2.gz VUKMYQZGJOFPQA-NVXWUHKLSA-N 0 3 311.360 2.163 20 30 DEEDHN C=C(Cl)CN(CC)CC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001485034207 1079930526 /nfs/dbraw/zinc/93/05/26/1079930526.db2.gz NACPLMLREYMDJQ-UHFFFAOYSA-N 0 3 324.856 2.196 20 30 DEEDHN CC(C)C#CC(=O)N1CCCC[C@H]1CNCc1ccns1 ZINC001485036877 1079932725 /nfs/dbraw/zinc/93/27/25/1079932725.db2.gz HATZXWPOYSYDRG-AWEZNQCLSA-N 0 3 305.447 2.273 20 30 DEEDHN C#CCN(C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(C)(C)C ZINC001654841012 1079978774 /nfs/dbraw/zinc/97/87/74/1079978774.db2.gz SNSKIGNMYJPHCF-CQSZACIVSA-N 0 3 310.438 2.356 20 30 DEEDHN C=CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C=C1CCCCC1 ZINC001268056258 1079983303 /nfs/dbraw/zinc/98/33/03/1079983303.db2.gz VQDKUQGNOGBATB-GJZGRUSLSA-N 0 3 321.465 2.004 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)COC)C2)CC1 ZINC001656399316 1080084503 /nfs/dbraw/zinc/08/45/03/1080084503.db2.gz YPXGIRSZBFPTKU-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)[C@@H]1CC12CCCC2 ZINC001268114804 1080084826 /nfs/dbraw/zinc/08/48/26/1080084826.db2.gz IYFNFYCKQTYEMD-IRXDYDNUSA-N 0 3 320.477 2.337 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)COC1CCCC1 ZINC001656650596 1080109579 /nfs/dbraw/zinc/10/95/79/1080109579.db2.gz HZTOPDBWWLJTNR-BPQIPLTHSA-N 0 3 318.461 2.184 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)SC ZINC001657055996 1080149416 /nfs/dbraw/zinc/14/94/16/1080149416.db2.gz KUYAEAOCJQHYIW-CABCVRRESA-N 0 3 314.495 2.253 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@H](C)O)[C@@H]2C)CCCCC1 ZINC001657043516 1080149776 /nfs/dbraw/zinc/14/97/76/1080149776.db2.gz FMTGFRVCTSAGOT-XHSDSOJGSA-N 0 3 308.466 2.473 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2c(C)ncn2C)C1 ZINC001493954601 1080163889 /nfs/dbraw/zinc/16/38/89/1080163889.db2.gz DAJZSMYRFWWSTO-HNNXBMFYSA-N 0 3 304.438 2.231 20 30 DEEDHN C=CCN(C)[C@@H](C)CNC(=O)Cc1noc2ccc(F)cc12 ZINC001485362716 1080167315 /nfs/dbraw/zinc/16/73/15/1080167315.db2.gz SXXQNSWNXWAFNZ-NSHDSACASA-N 0 3 305.353 2.132 20 30 DEEDHN Cc1cc(CN[C@H](C)[C@H]2CCCN(C(=O)C#CC(C)C)C2)on1 ZINC001268180478 1080169860 /nfs/dbraw/zinc/16/98/60/1080169860.db2.gz WVBDRCMBKAXHIX-CVEARBPZSA-N 0 3 317.433 2.359 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1n1cccn1 ZINC001268238777 1080219543 /nfs/dbraw/zinc/21/95/43/1080219543.db2.gz KYHPZTTZMNWVGE-IAGOWNOFSA-N 0 3 316.449 2.028 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001268241589 1080223556 /nfs/dbraw/zinc/22/35/56/1080223556.db2.gz UFUBAPPLKZHYSF-UHFFFAOYSA-N 0 3 316.430 2.165 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)[C@H]1CC12CCC2 ZINC001485469367 1080226266 /nfs/dbraw/zinc/22/62/66/1080226266.db2.gz VCJQJKHGBCVHAU-JKSUJKDBSA-N 0 3 306.450 2.091 20 30 DEEDHN COCC#CCN1CC[C@H]2CN(C(=O)CCCC3CC3)CC[C@H]21 ZINC001268264859 1080242959 /nfs/dbraw/zinc/24/29/59/1080242959.db2.gz HMIOUSLHJDYEPF-ZWKOTPCHSA-N 0 3 318.461 2.139 20 30 DEEDHN C[C@H](C#N)C(=O)NCCCN(C)Cc1ccccc1OC1CC1 ZINC001660081427 1080263534 /nfs/dbraw/zinc/26/35/34/1080263534.db2.gz PUYHHILMBVJZNA-CQSZACIVSA-N 0 3 315.417 2.326 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001485527731 1080283066 /nfs/dbraw/zinc/28/30/66/1080283066.db2.gz XQWMDCJAZKNHRA-CQSZACIVSA-N 0 3 316.449 2.216 20 30 DEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CC1 ZINC001481672554 1080283814 /nfs/dbraw/zinc/28/38/14/1080283814.db2.gz WKFOODCFEHQBFZ-YESZJQIVSA-N 0 3 306.450 2.443 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)COCC1CCCC1 ZINC001481673111 1080284706 /nfs/dbraw/zinc/28/47/06/1080284706.db2.gz UBSVWQMBNSVURG-IRXDYDNUSA-N 0 3 306.450 2.445 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CC[C@@H]2CC(C)(C)CO2)C1 ZINC001485532522 1080287999 /nfs/dbraw/zinc/28/79/99/1080287999.db2.gz HCFLWEHTPRIQHN-GDBMZVCRSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC ZINC001481678860 1080294693 /nfs/dbraw/zinc/29/46/93/1080294693.db2.gz QEKORHWHMLVWPU-IHRRRGAJSA-N 0 3 303.406 2.490 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)CCC(F)(F)F)C(C)(C)C1 ZINC001485565892 1080296706 /nfs/dbraw/zinc/29/67/06/1080296706.db2.gz GWKRGHLIKCXFPB-LBPRGKRZSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)[C@H](C)CSC)C(C)(C)C1 ZINC001485567670 1080298522 /nfs/dbraw/zinc/29/85/22/1080298522.db2.gz WPRWCFJELSTTMO-KGLIPLIRSA-N 0 3 314.495 2.015 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC001485564730 1080307874 /nfs/dbraw/zinc/30/78/74/1080307874.db2.gz QBYYJXOBJRXYPZ-VQIMIIECSA-N 0 3 316.445 2.340 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](O)CNCc1cc(C)ccc1F ZINC001268320818 1080325910 /nfs/dbraw/zinc/32/59/10/1080325910.db2.gz DBBVMEVXZHQLKH-CRAIPNDOSA-N 0 3 322.424 2.303 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H](CN[C@H](C)c2cnccn2)C1 ZINC001485692892 1080376777 /nfs/dbraw/zinc/37/67/77/1080376777.db2.gz PCBXXOHWXAEPRB-BZUAXINKSA-N 0 3 314.433 2.216 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001481733306 1080404504 /nfs/dbraw/zinc/40/45/04/1080404504.db2.gz GJGBHHPJXNSPLE-INIZCTEOSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001660939237 1080417098 /nfs/dbraw/zinc/41/70/98/1080417098.db2.gz UYRDGDZTKPWVTN-IRXDYDNUSA-N 0 3 307.482 2.123 20 30 DEEDHN CCC(CC)C(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 ZINC001661055143 1080434319 /nfs/dbraw/zinc/43/43/19/1080434319.db2.gz XCZBTTIQMMBUDC-INIZCTEOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCc2conc2C)C1 ZINC001661427522 1080481181 /nfs/dbraw/zinc/48/11/81/1080481181.db2.gz XCVBUAKBUJPAQR-WKILWMFISA-N 0 3 303.406 2.488 20 30 DEEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(CCc2ccns2)C1 ZINC001481765759 1080482593 /nfs/dbraw/zinc/48/25/93/1080482593.db2.gz XWXDKSJJXSCFOQ-OAHLLOKOSA-N 0 3 319.474 2.412 20 30 DEEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768480 1080485057 /nfs/dbraw/zinc/48/50/57/1080485057.db2.gz PHKPKSVTGATNDZ-UONOGXRCSA-N 0 3 318.421 2.073 20 30 DEEDHN C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc[n-]c2=O)C1 ZINC001481768480 1080485061 /nfs/dbraw/zinc/48/50/61/1080485061.db2.gz PHKPKSVTGATNDZ-UONOGXRCSA-N 0 3 318.421 2.073 20 30 DEEDHN CC[C@@H](CNC(=O)c1cccnc1)NCc1ccc(C#N)s1 ZINC001481785176 1080496400 /nfs/dbraw/zinc/49/64/00/1080496400.db2.gz CQBDSYGHQJLVIV-ZDUSSCGKSA-N 0 3 314.414 2.313 20 30 DEEDHN CC[C@H](CNC(=O)[C@H](CC)OC)NCc1ccc(C#N)s1 ZINC001481793427 1080504916 /nfs/dbraw/zinc/50/49/16/1080504916.db2.gz AYJJFWISURGMSU-RISCZKNCSA-N 0 3 309.435 2.029 20 30 DEEDHN C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)c1cccc2n[n-]nc21 ZINC001481815184 1080521984 /nfs/dbraw/zinc/52/19/84/1080521984.db2.gz QEWVTCLOZDSKHQ-CHWSQXEVSA-N 0 3 315.421 2.411 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCCN1CCc1cnn(CC)c1 ZINC001661856625 1080534536 /nfs/dbraw/zinc/53/45/36/1080534536.db2.gz RAKWXURHVHLNLM-QGZVFWFLSA-N 0 3 318.465 2.382 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H](OC)C1CCCC1 ZINC001661890593 1080541875 /nfs/dbraw/zinc/54/18/75/1080541875.db2.gz JDQYONNZKWJEBS-DLBZAZTESA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001661950413 1080549475 /nfs/dbraw/zinc/54/94/75/1080549475.db2.gz PRTLLMZNNZABPF-INIZCTEOSA-N 0 3 318.465 2.493 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)o2)C1 ZINC001661984940 1080555641 /nfs/dbraw/zinc/55/56/41/1080555641.db2.gz ZJNOJSXJEDPPRC-HZPDHXFCSA-N 0 3 318.417 2.068 20 30 DEEDHN CC[C@@H](CNC(=O)c1ccn(CC)n1)NCC#Cc1ccccc1 ZINC001481856211 1080556890 /nfs/dbraw/zinc/55/68/90/1080556890.db2.gz QCSDZWYAIZGJLB-KRWDZBQOSA-N 0 3 324.428 2.053 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C3CC3)CC2)C1 ZINC001661997185 1080560083 /nfs/dbraw/zinc/56/00/83/1080560083.db2.gz QRJFQCFHMHNZEC-HZPDHXFCSA-N 0 3 318.461 2.043 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)c1csc2ccccc12 ZINC001662299255 1080593188 /nfs/dbraw/zinc/59/31/88/1080593188.db2.gz ZPYMMYMTWDNNRX-CYBMUJFWSA-N 0 3 316.426 2.259 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001662507920 1080612868 /nfs/dbraw/zinc/61/28/68/1080612868.db2.gz KKTQPFHXXZJJAV-CHYADLBTSA-N 0 3 300.377 2.443 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2ccn(CC(C)C)n2)C1 ZINC001662838925 1080666398 /nfs/dbraw/zinc/66/63/98/1080666398.db2.gz LUTUCDPSDDGMAS-MRXNPFEDSA-N 0 3 316.449 2.099 20 30 DEEDHN C[C@@H](NC/C=C\CNC(=O)CSCC#N)c1cccc(F)c1 ZINC001268512758 1080698975 /nfs/dbraw/zinc/69/89/75/1080698975.db2.gz HJIQRKKPHXAQIA-XQJDBVBESA-N 0 3 321.421 2.405 20 30 DEEDHN C#CCCN(C)CCNC(=O)CCOc1ccc(C)cc1C ZINC001663192685 1080718271 /nfs/dbraw/zinc/71/82/71/1080718271.db2.gz LQPVHVZMTIDFHP-UHFFFAOYSA-N 0 3 302.418 2.144 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C2(CCOC)CCC2)cc1 ZINC001482035198 1080723396 /nfs/dbraw/zinc/72/33/96/1080723396.db2.gz RYPAKHOLANZLNC-UHFFFAOYSA-N 0 3 314.429 2.232 20 30 DEEDHN Cc1oncc1CN1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001107336801 1080734621 /nfs/dbraw/zinc/73/46/21/1080734621.db2.gz RABBUZUNPYKBLN-SRCQZFHVSA-N 0 3 316.405 2.004 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001268556061 1080753526 /nfs/dbraw/zinc/75/35/26/1080753526.db2.gz UMFIRKWHGFGTSE-PLNGDYQASA-N 0 3 309.369 2.241 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](CC)OC1CCCC1 ZINC001663528269 1080767604 /nfs/dbraw/zinc/76/76/04/1080767604.db2.gz NGEUIEGDPCLMQD-WBVHZDCISA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)COc1ccccc1Cl ZINC001663547473 1080772760 /nfs/dbraw/zinc/77/27/60/1080772760.db2.gz HPXYULQFCPISRU-ZDUSSCGKSA-N 0 3 308.809 2.485 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001663630269 1080794276 /nfs/dbraw/zinc/79/42/76/1080794276.db2.gz ZWRQUTHUMIKVGG-JKSUJKDBSA-N 0 3 317.433 2.246 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001663644606 1080795891 /nfs/dbraw/zinc/79/58/91/1080795891.db2.gz JTPTZZVOTRCTMP-HNNXBMFYSA-N 0 3 310.397 2.355 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001663688357 1080804089 /nfs/dbraw/zinc/80/40/89/1080804089.db2.gz NSKNFUGYMVCACH-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN C=CCN(CCNC(=O)[C@@H]1CCCN1c1ccccc1)C1CC1 ZINC001663727422 1080809976 /nfs/dbraw/zinc/80/99/76/1080809976.db2.gz NEWFBMRHKYQMOS-SFHVURJKSA-N 0 3 313.445 2.422 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1sc(N(C)C)nc1C)C1CC1 ZINC001663761743 1080813720 /nfs/dbraw/zinc/81/37/20/1080813720.db2.gz WWZABAKCBNSQFI-UHFFFAOYSA-N 0 3 322.478 2.288 20 30 DEEDHN C#Cc1cncc(C(=O)NC/C=C/CNCc2ccc(F)cc2)c1 ZINC001268592707 1080838812 /nfs/dbraw/zinc/83/88/12/1080838812.db2.gz YBXJUROJYLGTPR-ONEGZZNKSA-N 0 3 323.371 2.278 20 30 DEEDHN Cc1nocc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001482139619 1080855755 /nfs/dbraw/zinc/85/57/55/1080855755.db2.gz YXGLKWFAGYBCJB-LBPRGKRZSA-N 0 3 312.373 2.010 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001268601629 1080881654 /nfs/dbraw/zinc/88/16/54/1080881654.db2.gz WIYDUNNNBBTBOC-UAEOLWBESA-N 0 3 312.413 2.084 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)CCN(C)CCc1ccc(F)c(F)c1 ZINC001496679674 1080902204 /nfs/dbraw/zinc/90/22/04/1080902204.db2.gz MKZJXGNCTLXMNO-GFCCVEGCSA-N 0 3 309.360 2.057 20 30 DEEDHN C#CCNC/C=C\CNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC001268634660 1080907416 /nfs/dbraw/zinc/90/74/16/1080907416.db2.gz UKEYMUSKDXLPGQ-ARJAWSKDSA-N 0 3 300.377 2.215 20 30 DEEDHN Cc1ccncc1CC(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268648471 1080916695 /nfs/dbraw/zinc/91/66/95/1080916695.db2.gz JXMSXAPVEYOOED-QGZVFWFLSA-N 0 3 321.424 2.079 20 30 DEEDHN C=CCOCCN[C@@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001664578912 1080928069 /nfs/dbraw/zinc/92/80/69/1080928069.db2.gz VCLGLDWNFHXUHT-SFHVURJKSA-N 0 3 312.413 2.050 20 30 DEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccncc2F)C1 ZINC001664655103 1080935291 /nfs/dbraw/zinc/93/52/91/1080935291.db2.gz GFFSUCYLUBJSFS-CQSZACIVSA-N 0 3 303.381 2.171 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CNCc2cncc(C)c2)cc1 ZINC001268697479 1080939063 /nfs/dbraw/zinc/93/90/63/1080939063.db2.gz DFFFDTWXXJKVSM-HNNXBMFYSA-N 0 3 307.397 2.279 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)Cc1ccc(C)cc1 ZINC001268728583 1080955421 /nfs/dbraw/zinc/95/54/21/1080955421.db2.gz GLXAVJOOJKXGJW-CRAIPNDOSA-N 0 3 304.434 2.259 20 30 DEEDHN CC/C=C/CCN1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001665050218 1080986656 /nfs/dbraw/zinc/98/66/56/1080986656.db2.gz SANOZDHESWRVBA-BWPKMQGJSA-N 0 3 300.406 2.437 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1snnc1C1CC1 ZINC001268799432 1080997025 /nfs/dbraw/zinc/99/70/25/1080997025.db2.gz ZCGHXISJIBZTHY-UHFFFAOYSA-N 0 3 314.842 2.220 20 30 DEEDHN C=C(C)CCC(=O)NCC1CN(C[C@@H](O)C2CCCCC2)C1 ZINC001665292930 1081010782 /nfs/dbraw/zinc/01/07/82/1081010782.db2.gz FGGLVQVCNDFSAG-QGZVFWFLSA-N 0 3 308.466 2.332 20 30 DEEDHN C=C[C@H](C(=O)NCC1CN(CCC[C@@H](C)O)C1)c1ccccc1 ZINC001665362722 1081018635 /nfs/dbraw/zinc/01/86/35/1081018635.db2.gz JWFJMOCINOSEMD-QAPCUYQASA-N 0 3 316.445 2.165 20 30 DEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCCC2 ZINC001665392204 1081022599 /nfs/dbraw/zinc/02/25/99/1081022599.db2.gz JZGNYIAENWVLRA-GJZGRUSLSA-N 0 3 314.433 2.084 20 30 DEEDHN C=CC[C@@H](C)C(=O)N1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001268968248 1081068750 /nfs/dbraw/zinc/06/87/50/1081068750.db2.gz MFDMNPAKWPSAKV-MRXNPFEDSA-N 0 3 316.449 2.020 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2sc(C)nc2C)C1 ZINC001665726749 1081071909 /nfs/dbraw/zinc/07/19/09/1081071909.db2.gz RTTLANRJSPUAEG-HNNXBMFYSA-N 0 3 319.474 2.249 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2cn(C)nc2C)C1 ZINC001665731800 1081072315 /nfs/dbraw/zinc/07/23/15/1081072315.db2.gz OGMHOMLJQPGNAG-KRWDZBQOSA-N 0 3 318.465 2.160 20 30 DEEDHN CC[C@@H](CNC(=O)c1nccn1CC)NCC#Cc1ccccc1 ZINC001665782876 1081082205 /nfs/dbraw/zinc/08/22/05/1081082205.db2.gz WJWFKBDYOFHNPB-KRWDZBQOSA-N 0 3 324.428 2.053 20 30 DEEDHN C=CCCCC(=O)NC[C@@H](CC)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001665839686 1081088903 /nfs/dbraw/zinc/08/89/03/1081088903.db2.gz QVCFKCJZAHLBQI-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001269236258 1081179143 /nfs/dbraw/zinc/17/91/43/1081179143.db2.gz YPRYCQUAJABMRB-MRXNPFEDSA-N 0 3 302.422 2.378 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCC1(NCC(=O)NCCC)CCCC1 ZINC001666778907 1081180846 /nfs/dbraw/zinc/18/08/46/1081180846.db2.gz VXEKZYQBZZJRJF-UHFFFAOYSA-N 0 3 323.481 2.134 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCC[C@@H]1C ZINC001666914732 1081192874 /nfs/dbraw/zinc/19/28/74/1081192874.db2.gz WZCYGDGSTASSJW-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccn[nH]1 ZINC001667075270 1081209097 /nfs/dbraw/zinc/20/90/97/1081209097.db2.gz FXMWICMALLXQBX-KRWDZBQOSA-N 0 3 324.428 2.196 20 30 DEEDHN N#CCSCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001498926680 1081210442 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C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1c(C)cnn1C ZINC001667279160 1081232701 /nfs/dbraw/zinc/23/27/01/1081232701.db2.gz MULVJQSIMOQNGJ-CQSZACIVSA-N 0 3 324.856 2.455 20 30 DEEDHN C=CCOCC(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001269384269 1081234721 /nfs/dbraw/zinc/23/47/21/1081234721.db2.gz YEAURUIIAJQCTI-MRXNPFEDSA-N 0 3 318.392 2.254 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001667585695 1081266520 /nfs/dbraw/zinc/26/65/20/1081266520.db2.gz WZNPLHVSBWDPNS-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N(C)CCN(C)C[C@H](O)CC(F)(F)F ZINC001667619740 1081267981 /nfs/dbraw/zinc/26/79/81/1081267981.db2.gz YOAQQMPPSBPAJR-TZMCWYRMSA-N 0 3 324.387 2.292 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2cnc(C)o2)C1 ZINC001667681588 1081274250 /nfs/dbraw/zinc/27/42/50/1081274250.db2.gz SLGIAOFTOLXIBD-DOTOQJQBSA-N 0 3 315.417 2.209 20 30 DEEDHN Cc1nocc1CNC[C@](C)(NC(=O)C#CC(C)(C)C)C1CC1 ZINC001269615774 1081307982 /nfs/dbraw/zinc/30/79/82/1081307982.db2.gz 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/nfs/dbraw/zinc/37/72/84/1081377284.db2.gz VGOOEDAPXBAQCB-UHFFFAOYSA-N 0 3 318.461 2.048 20 30 DEEDHN O=C(C#CC1CC1)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001668815326 1081401107 /nfs/dbraw/zinc/40/11/07/1081401107.db2.gz LWUNJIJPVIELNH-QFRLHKFZSA-N 0 3 312.388 2.488 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)CCOc1c(C)cccc1C ZINC001668853639 1081404432 /nfs/dbraw/zinc/40/44/32/1081404432.db2.gz JNVNRUNSIOMZKZ-SREVYHEPSA-N 0 3 314.429 2.358 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CC(C)(C)CO1)C2 ZINC001111323850 1081406198 /nfs/dbraw/zinc/40/61/98/1081406198.db2.gz AHFAMWAGADFHEI-TWMKSMIVSA-N 0 3 318.461 2.327 20 30 DEEDHN CC#CCNC/C=C/CNC(=O)c1cc2cccc(OC)c2o1 ZINC001669008009 1081418051 /nfs/dbraw/zinc/41/80/51/1081418051.db2.gz DPWJLTLIBJZPKO-AATRIKPKSA-N 0 3 312.369 2.340 20 30 DEEDHN C=CCOCC(=O)N(C)C1CC(NCc2cccc(F)c2F)C1 ZINC001284751009 1081421773 /nfs/dbraw/zinc/42/17/73/1081421773.db2.gz PCLYZJPIUMFUME-UHFFFAOYSA-N 0 3 324.371 2.246 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)c2ncccc2CC)cc1 ZINC001270065196 1081441427 /nfs/dbraw/zinc/44/14/27/1081441427.db2.gz HCKXRNPTPKETTP-UHFFFAOYSA-N 0 3 307.397 2.297 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)N[C@@H](C)CCC ZINC001270113689 1081454014 /nfs/dbraw/zinc/45/40/14/1081454014.db2.gz UBJIRRGRIFHULI-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)CN[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC001669520392 1081454765 /nfs/dbraw/zinc/45/47/65/1081454765.db2.gz GPJGVBSCEJZVEL-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CCOCCC(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001669521307 1081455716 /nfs/dbraw/zinc/45/57/16/1081455716.db2.gz YDJJXYMCNOMIJF-AWEZNQCLSA-N 0 3 322.836 2.212 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(CC)CC)C1 ZINC001669662288 1081462496 /nfs/dbraw/zinc/46/24/96/1081462496.db2.gz SCMIGDHZKOAKOY-KBPBESRZSA-N 0 3 323.481 2.130 20 30 DEEDHN C=C[C@H](C(=O)N[C@@H](C)CNCc1cnc(C)nc1)c1ccccc1 ZINC001669750913 1081465749 /nfs/dbraw/zinc/46/57/49/1081465749.db2.gz SLCJCSFYELLULD-KSSFIOAISA-N 0 3 324.428 2.349 20 30 DEEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC001669826943 1081472493 /nfs/dbraw/zinc/47/24/93/1081472493.db2.gz QWLZCCNGSOCVGT-AWEZNQCLSA-N 0 3 302.418 2.177 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001270206226 1081474090 /nfs/dbraw/zinc/47/40/90/1081474090.db2.gz WFRYMFCAYWMVTF-OAHLLOKOSA-N 0 3 319.836 2.475 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H](C)CN(C)CCc2ccnn2C)CC1 ZINC001669877170 1081476470 /nfs/dbraw/zinc/47/64/70/1081476470.db2.gz CVPHLZXCWWWRSO-HNNXBMFYSA-N 0 3 318.465 2.146 20 30 DEEDHN CS[C@H](C)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001670023018 1081490214 /nfs/dbraw/zinc/49/02/14/1081490214.db2.gz HJMIGTJXMHLMRU-GFCCVEGCSA-N 0 3 323.437 2.387 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H]1OC)C1CCN(CC(=C)C)CC1 ZINC001270320456 1081501018 /nfs/dbraw/zinc/50/10/18/1081501018.db2.gz BJENYUAXYVAKQS-MSOLQXFVSA-N 0 3 318.461 2.304 20 30 DEEDHN CC[C@@H](F)C(=O)N(C)CCCNCc1ccc(C#N)cc1F ZINC001670205141 1081502208 /nfs/dbraw/zinc/50/22/08/1081502208.db2.gz 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1081559335 /nfs/dbraw/zinc/55/93/35/1081559335.db2.gz HBRAUKQWBLMNSX-CRAIPNDOSA-N 0 3 308.466 2.332 20 30 DEEDHN C=CCOCC(=O)N1CC[C@H]([C@H](C)NC/C(Cl)=C/Cl)C1 ZINC001672197677 1081565910 /nfs/dbraw/zinc/56/59/10/1081565910.db2.gz POIJSURLYCSSCM-BSHKOFBUSA-N 0 3 321.248 2.335 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncn2ccc(C)cc12 ZINC001626751022 1081573025 /nfs/dbraw/zinc/57/30/25/1081573025.db2.gz PWTVPPBAZDQWSU-UHFFFAOYSA-N 0 3 300.406 2.223 20 30 DEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cn2ncc3ccccc32)C1 ZINC001270641203 1081580413 /nfs/dbraw/zinc/58/04/13/1081580413.db2.gz FOCGLEPBDYDHSE-SFHVURJKSA-N 0 3 312.417 2.193 20 30 DEEDHN C=CCOCC(=O)N1CC[C@@](C)(CNC/C(Cl)=C/Cl)C1 ZINC001270698745 1081604677 /nfs/dbraw/zinc/60/46/77/1081604677.db2.gz WHDXMFDJROUSRR-VDBIKXPHSA-N 0 3 321.248 2.336 20 30 DEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCC(F)(F)F ZINC001672536434 1081609440 /nfs/dbraw/zinc/60/94/40/1081609440.db2.gz BBPJPMXSZXVPQA-OLZOCXBDSA-N 0 3 302.340 2.418 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](OCC)C2CC2)C1 ZINC001672795567 1081627651 /nfs/dbraw/zinc/62/76/51/1081627651.db2.gz DYBJGFPRGLUXSZ-DZGCQCFKSA-N 0 3 314.857 2.382 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001672961108 1081726614 /nfs/dbraw/zinc/72/66/14/1081726614.db2.gz USXRVIJGITYZBO-SHTZXODSSA-N 0 3 303.406 2.243 20 30 DEEDHN CC#CCNC1(CNC(=O)CO[C@@H]2CCC[C@H](C)C2)CCC1 ZINC001673217912 1081746809 /nfs/dbraw/zinc/74/68/09/1081746809.db2.gz GCQSKKGDZBIATO-JKSUJKDBSA-N 0 3 306.450 2.234 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)C[C@H]1OCCc2ccccc21 ZINC001673483548 1081774683 /nfs/dbraw/zinc/77/46/83/1081774683.db2.gz WCEVALRQAALVRQ-GOSISDBHSA-N 0 3 314.429 2.104 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)[C@@H](OC)C1CCCCC1 ZINC001673491249 1081774735 /nfs/dbraw/zinc/77/47/35/1081774735.db2.gz HIGBIFPWOJNKHE-KRWDZBQOSA-N 0 3 308.466 2.385 20 30 DEEDHN COCC#CCNC[C@H](CC(C)C)NC(=O)[C@@H](C)C1CCC1 ZINC001482387309 1081785157 /nfs/dbraw/zinc/78/51/57/1081785157.db2.gz 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/nfs/dbraw/zinc/85/98/38/1081859838.db2.gz VQNFJGVWLOCDBI-AWEZNQCLSA-N 0 3 310.401 2.024 20 30 DEEDHN C=C(C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC1CCCC1 ZINC001270978106 1081862814 /nfs/dbraw/zinc/86/28/14/1081862814.db2.gz YCLFCRGCPMUSPC-HUUCEWRRSA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cc1cccc(OCC)n1 ZINC001674470123 1081876805 /nfs/dbraw/zinc/87/68/05/1081876805.db2.gz STJRXPAPKFFJRQ-INIZCTEOSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCN1C(=O)c1cocc1C ZINC001674475858 1081878806 /nfs/dbraw/zinc/87/88/06/1081878806.db2.gz SQQZZHWAZFFBTG-OAHLLOKOSA-N 0 3 306.406 2.327 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001266248842 1081916665 /nfs/dbraw/zinc/91/66/65/1081916665.db2.gz RIOQEESZSZDOTH-QGZVFWFLSA-N 0 3 314.429 2.286 20 30 DEEDHN C=C(C)CN1CCN(CCCNC(=O)c2ccsc2C)CC1 ZINC001266263176 1081926003 /nfs/dbraw/zinc/92/60/03/1081926003.db2.gz XADARAAWYKNGKK-UHFFFAOYSA-N 0 3 321.490 2.370 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001266307595 1081962641 /nfs/dbraw/zinc/96/26/41/1081962641.db2.gz HHGQYAOUXSYHOU-AEFFLSMTSA-N 0 3 316.445 2.401 20 30 DEEDHN CCCCCCCN1CC[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001266336685 1081980640 /nfs/dbraw/zinc/98/06/40/1081980640.db2.gz UKFWLRVPMNAXOK-GOEBONIOSA-N 0 3 300.418 2.276 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001271209236 1081990790 /nfs/dbraw/zinc/99/07/90/1081990790.db2.gz UCCJYHDPTZVUPU-HNNXBMFYSA-N 0 3 320.408 2.142 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001266355516 1081994576 /nfs/dbraw/zinc/99/45/76/1081994576.db2.gz JXMHYMLWGSSVTJ-OAHLLOKOSA-N 0 3 322.474 2.301 20 30 DEEDHN Cc1ncccc1CN1CCC2(C[C@H]2NC(=O)C#CC2CC2)CC1 ZINC001266370730 1082004794 /nfs/dbraw/zinc/00/47/94/1082004794.db2.gz KEQQTUWTFOLJJY-GOSISDBHSA-N 0 3 323.440 2.274 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cnsn2)CC1 ZINC001266384957 1082011832 /nfs/dbraw/zinc/01/18/32/1082011832.db2.gz ZZOCCBVIHPJBTG-UHFFFAOYSA-N 0 3 308.451 2.431 20 30 DEEDHN O=C(NC[C@H](NCC#Cc1ccccc1)C1CC1)C1=COCCC1 ZINC001266401681 1082021627 /nfs/dbraw/zinc/02/16/27/1082021627.db2.gz QIWNZVLKCFDUGS-IBGZPJMESA-N 0 3 324.424 2.217 20 30 DEEDHN C=C1CCC(C(=O)NCCN(CC)CCn2cccn2)CC1 ZINC001266416183 1082028577 /nfs/dbraw/zinc/02/85/77/1082028577.db2.gz CLPGJKXLOOCRSX-UHFFFAOYSA-N 0 3 304.438 2.068 20 30 DEEDHN C#CCCN[C@H](CNC(=O)c1cn[nH]c1)c1ccccc1CC ZINC001271437117 1082041508 /nfs/dbraw/zinc/04/15/08/1082041508.db2.gz FKIUGSJVQRYVTK-QGZVFWFLSA-N 0 3 310.401 2.056 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)c1c(C)[nH]nc1Br ZINC001649251542 1082074514 /nfs/dbraw/zinc/07/45/14/1082074514.db2.gz YJKYLBXHTGSTIV-MRVPVSSYSA-N 0 3 322.166 2.187 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cccn1 ZINC001266501810 1082079905 /nfs/dbraw/zinc/07/99/05/1082079905.db2.gz LBNYZXCAGIRXAM-CALCHBBNSA-N 0 3 316.449 2.305 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@H](C)[C@H](CNCc2cc(C)n(C)n2)C1 ZINC001271617217 1082092100 /nfs/dbraw/zinc/09/21/00/1082092100.db2.gz MUZKZJSGSHZMCP-GOEBONIOSA-N 0 3 318.465 2.269 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@@H](CNC/C=C\Cl)C1 ZINC001649455567 1082114483 /nfs/dbraw/zinc/11/44/83/1082114483.db2.gz DPGWVUXTVWZKDG-SZZPACECSA-N 0 3 300.830 2.158 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CCCC[C@H]1C)C1CCN(CCOC)CC1 ZINC001671492008 1082154732 /nfs/dbraw/zinc/15/47/32/1082154732.db2.gz OFCGWQMFVPVFKK-SJLPKXTDSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](NCc1ccccc1F)C(C)C ZINC001482526372 1082156186 /nfs/dbraw/zinc/15/61/86/1082156186.db2.gz PDNKAOBFUDPLNV-WMZOPIPTSA-N 0 3 322.424 2.383 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001266573493 1082167471 /nfs/dbraw/zinc/16/74/71/1082167471.db2.gz WJYCJTQSAPGBIQ-UHFFFAOYSA-N 0 3 316.430 2.213 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1cccc2c1OCC2(C)C ZINC001266579604 1082172272 /nfs/dbraw/zinc/17/22/72/1082172272.db2.gz VRJRYHNKPAVKMU-UHFFFAOYSA-N 0 3 314.429 2.432 20 30 DEEDHN C=C(Cl)CN[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)C(C)C ZINC001482552154 1082204490 /nfs/dbraw/zinc/20/44/90/1082204490.db2.gz AYMFOZJVRCRQMZ-LLVKDONJSA-N 0 3 320.771 2.444 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2cc(CO)ccc2F)C1 ZINC001266672032 1082268464 /nfs/dbraw/zinc/26/84/64/1082268464.db2.gz KQSGEEGMGIJYHA-GASCZTMLSA-N 0 3 306.381 2.021 20 30 DEEDHN COc1ccc(CNCCN(C)C(=O)C=C2CCC2)cc1C#N ZINC001266673576 1082269864 /nfs/dbraw/zinc/26/98/64/1082269864.db2.gz TYMXHWNHHMZFPZ-UHFFFAOYSA-N 0 3 313.401 2.225 20 30 DEEDHN C[C@H](C(=O)N(C)CCNCc1cccc(C#N)c1)n1cccc1 ZINC001266677271 1082274135 /nfs/dbraw/zinc/27/41/35/1082274135.db2.gz IJMDAKSVAUJEQL-OAHLLOKOSA-N 0 3 310.401 2.169 20 30 DEEDHN C[C@@H](C(=O)N(C)CCNCc1cccc(C#N)c1)n1cccc1 ZINC001266677270 1082274152 /nfs/dbraw/zinc/27/41/52/1082274152.db2.gz IJMDAKSVAUJEQL-HNNXBMFYSA-N 0 3 310.401 2.169 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC001266766125 1082331206 /nfs/dbraw/zinc/33/12/06/1082331206.db2.gz CXVFVCNWGWZTHT-INIZCTEOSA-N 0 3 302.393 2.220 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)COc2c(C)cccc2C)C1 ZINC001266768052 1082331579 /nfs/dbraw/zinc/33/15/79/1082331579.db2.gz WWCIRGQZKSSBIY-KRWDZBQOSA-N 0 3 314.429 2.144 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001266842209 1082385440 /nfs/dbraw/zinc/38/54/40/1082385440.db2.gz JDCFWIUYBIOATR-IRXDYDNUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCOCC(=O)NC[C@H]1CCCCN1C[C@H]1CCCCO1 ZINC001266860070 1082404623 /nfs/dbraw/zinc/40/46/23/1082404623.db2.gz WMCQCOVTIJVCMY-IAGOWNOFSA-N 0 3 324.465 2.119 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@]1(c2ccccc2)CCCO1 ZINC001482645312 1082430029 /nfs/dbraw/zinc/43/00/29/1082430029.db2.gz OXBKMVBXFLPCBE-GOSISDBHSA-N 0 3 302.418 2.269 20 30 DEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CCOCC(C)C)C1 ZINC001266888364 1082431680 /nfs/dbraw/zinc/43/16/80/1082431680.db2.gz CYTDBWDZDSZPCX-IRXDYDNUSA-N 0 3 308.466 2.289 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001266891667 1082435452 /nfs/dbraw/zinc/43/54/52/1082435452.db2.gz PYJMCWPLYSZKMT-DOTOQJQBSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC001482654347 1082435547 /nfs/dbraw/zinc/43/55/47/1082435547.db2.gz GJZXIGJAUDEAPL-OAHLLOKOSA-N 0 3 315.417 2.079 20 30 DEEDHN C=CCOCC(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001266928747 1082458241 /nfs/dbraw/zinc/45/82/41/1082458241.db2.gz WVYCYOZBQPKERJ-ZDUSSCGKSA-N 0 3 310.825 2.445 20 30 DEEDHN C=CCOCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C ZINC001279540729 1082462741 /nfs/dbraw/zinc/46/27/41/1082462741.db2.gz HNJNCGGEPSYWFV-CVEARBPZSA-N 0 3 318.417 2.470 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)C#CC(C)(C)C)cc1F ZINC001266937287 1082463910 /nfs/dbraw/zinc/46/39/10/1082463910.db2.gz FVAZATZRMWHHSW-ZDUSSCGKSA-N 0 3 320.408 2.478 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001266973671 1082484346 /nfs/dbraw/zinc/48/43/46/1082484346.db2.gz AMCDYNFOEVNGIV-UONOGXRCSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCC(=O)N1CCCCCC1 ZINC001266976035 1082485402 /nfs/dbraw/zinc/48/54/02/1082485402.db2.gz UZIBVGLWPOIPRT-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001266980103 1082486284 /nfs/dbraw/zinc/48/62/84/1082486284.db2.gz OTIAVYMBMOWJDW-MRXNPFEDSA-N 0 3 308.466 2.337 20 30 DEEDHN C=CCCC(=O)NC[C@@H](O)CNCc1c(C)cccc1Cl ZINC001482713393 1082493985 /nfs/dbraw/zinc/49/39/85/1082493985.db2.gz MIBGVZYOYBNOFY-ZDUSSCGKSA-N 0 3 310.825 2.181 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H](C)CCNCc2cc(C)ncn2)cc1 ZINC001482858960 1082534471 /nfs/dbraw/zinc/53/44/71/1082534471.db2.gz VKUNCFARCVNRCU-CQSZACIVSA-N 0 3 322.412 2.065 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1cc(C)ncn1 ZINC001482867255 1082536634 /nfs/dbraw/zinc/53/66/34/1082536634.db2.gz GXNBFPIUYYTMHS-SUMWQHHRSA-N 0 3 304.438 2.372 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001272131172 1082600559 /nfs/dbraw/zinc/60/05/59/1082600559.db2.gz BBSWHYQZWWTJLF-ZWKOTPCHSA-N 0 3 314.429 2.212 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC/C=C/CNCc1cccc(Cl)c1 ZINC001483008688 1082621236 /nfs/dbraw/zinc/62/12/36/1082621236.db2.gz ZXIBSWUQBZUTCB-NNTXTVRGSA-N 0 3 320.820 2.140 20 30 DEEDHN C#CCNC/C=C\CNC(=O)c1oc2ccc(F)cc2c1C ZINC001483016291 1082625511 /nfs/dbraw/zinc/62/55/11/1082625511.db2.gz BXMKEXYBDGLAGG-PLNGDYQASA-N 0 3 300.333 2.389 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H](C)NC(=O)C1=CCCC1 ZINC001483120519 1082730585 /nfs/dbraw/zinc/73/05/85/1082730585.db2.gz ZLDWFGXUTPBZAY-CABCVRRESA-N 0 3 321.465 2.004 20 30 DEEDHN Cc1noc(C)c1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483207663 1082808829 /nfs/dbraw/zinc/80/88/29/1082808829.db2.gz XGBMOQIYAFFDHU-VIFPVBQESA-N 0 3 318.402 2.133 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC(F)(F)F ZINC001483213151 1082813499 /nfs/dbraw/zinc/81/34/99/1082813499.db2.gz GWVKRBLEEWNTPU-VIFPVBQESA-N 0 3 317.286 2.244 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1c(C)noc1C(F)(F)F ZINC001507131120 1083073957 /nfs/dbraw/zinc/07/39/57/1083073957.db2.gz XDNFGFKONMLZFO-VIFPVBQESA-N 0 3 317.311 2.075 20 30 DEEDHN CC[C@H](C(=O)N[C@@H](C)CNCC#CCOC)c1ccc(F)cc1 ZINC001483297736 1083079197 /nfs/dbraw/zinc/07/91/97/1083079197.db2.gz DHPFWVKGGMJDAT-YOEHRIQHSA-N 0 3 320.408 2.063 20 30 DEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)c1cccc(F)c1C ZINC001483340405 1083117731 /nfs/dbraw/zinc/11/77/31/1083117731.db2.gz RVNQPDVHQKHCLG-CYBMUJFWSA-N 0 3 308.397 2.387 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)C1 ZINC001276460687 1083450087 /nfs/dbraw/zinc/45/00/87/1083450087.db2.gz PPEBBPKKGQDRBC-KBPBESRZSA-N 0 3 318.392 2.053 20 30 DEEDHN C=CCOc1ccc(CC(=O)N[C@@H](C)C2CN(CC)C2)cc1 ZINC001276467610 1083454910 /nfs/dbraw/zinc/45/49/10/1083454910.db2.gz BRMPNSLEZIDCCV-AWEZNQCLSA-N 0 3 302.418 2.250 20 30 DEEDHN CN1CC2(C1)CCN(C(=O)c1ccc(C#N)cc1Cl)CC2 ZINC001276533969 1083483640 /nfs/dbraw/zinc/48/36/40/1083483640.db2.gz OYVHDWADYDELQH-UHFFFAOYSA-N 0 3 303.793 2.379 20 30 DEEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@@H](C)C(C)C)CCC[C@@H]12 ZINC001107567064 1083486660 /nfs/dbraw/zinc/48/66/60/1083486660.db2.gz IUKSQOLLYMAYTH-YQVWRLOYSA-N 0 3 320.477 2.289 20 30 DEEDHN C#CCCCC(=O)N[C@H](CNCc1ccc(C#N)s1)C1CC1 ZINC001276583538 1083498090 /nfs/dbraw/zinc/49/80/90/1083498090.db2.gz CCEUIWXKFSQLKR-MRXNPFEDSA-N 0 3 315.442 2.408 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)C2(CCOC)CCCC2)C(C)(C)C1 ZINC001276632076 1083523841 /nfs/dbraw/zinc/52/38/41/1083523841.db2.gz BZJBEMPCZUCGAE-INIZCTEOSA-N 0 3 320.477 2.433 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)c3cccc(Cl)c3)[C@@H]2C1 ZINC001276740582 1083582744 /nfs/dbraw/zinc/58/27/44/1083582744.db2.gz ZQRAPEJHTLGIHV-YYQUZTFQSA-N 0 3 316.832 2.371 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001276854480 1083648050 /nfs/dbraw/zinc/64/80/50/1083648050.db2.gz XGIMBQSDZUPMPN-CQSZACIVSA-N 0 3 304.438 2.314 20 30 DEEDHN CN(C)c1ccc(CN2CCCC3(CN(C)C3)C2)c(F)c1C#N ZINC001276858116 1083649335 /nfs/dbraw/zinc/64/93/35/1083649335.db2.gz BKFFUNVVIVXURG-UHFFFAOYSA-N 0 3 316.424 2.291 20 30 DEEDHN C=CCn1cc(CN2CC[C@@H](C(N)=O)[C@@H]2c2ccccc2)cn1 ZINC001277018136 1083733469 /nfs/dbraw/zinc/73/34/69/1083733469.db2.gz DHYSHFYOEOAWKZ-SJORKVTESA-N 0 3 310.401 2.118 20 30 DEEDHN N#CC1(NC(=O)[C@H]2[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)CCC1 ZINC001277070345 1083760739 /nfs/dbraw/zinc/76/07/39/1083760739.db2.gz QMVONTIXRAUUSG-SCAQPMJSSA-N 0 3 324.428 2.102 20 30 DEEDHN C[C@H]1C[C@H]1CN1CCc2nc(C(=O)NC3(C#N)CCC3)ccc2C1 ZINC001277143440 1083804759 /nfs/dbraw/zinc/80/47/59/1083804759.db2.gz VMNJBRRTGOCJNF-ZFWWWQNUSA-N 0 3 324.428 2.272 20 30 DEEDHN C#CCCCC(=O)NC[C@@]1(C)CN([C@@H](C)CCC=C)CCO1 ZINC001107900803 1083859524 /nfs/dbraw/zinc/85/95/24/1083859524.db2.gz CGSMGRZAFYMCIU-WMZOPIPTSA-N 0 3 306.450 2.352 20 30 DEEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001277246320 1083867024 /nfs/dbraw/zinc/86/70/24/1083867024.db2.gz LIPBIRNKUWLRMB-CBBWQLFWSA-N 0 3 314.857 2.429 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C(CC)CC)CC1 ZINC001277379958 1083935441 /nfs/dbraw/zinc/93/54/41/1083935441.db2.gz ZUZWSZUNWUYYMP-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C(C)C)[nH]c1=O ZINC001280864491 1083944824 /nfs/dbraw/zinc/94/48/24/1083944824.db2.gz PKXJYYXJTJWDLF-UHFFFAOYSA-N 0 3 317.433 2.328 20 30 DEEDHN CC#CCN(CCOC)C1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001277398512 1083948222 /nfs/dbraw/zinc/94/82/22/1083948222.db2.gz NBPQPUKFILLMBS-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN CCc1onc(C)c1CNCC[C@@H](C)NC(=O)C#CC(C)C ZINC001272766477 1083983015 /nfs/dbraw/zinc/98/30/15/1083983015.db2.gz VQGFHZXVAUVRLD-CYBMUJFWSA-N 0 3 305.422 2.189 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c1 ZINC001277479466 1083995912 /nfs/dbraw/zinc/99/59/12/1083995912.db2.gz XDVWOEAOZHKQKP-REPLKXPHSA-N 0 3 321.424 2.415 20 30 DEEDHN CCc1nc(C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)co1 ZINC001491015046 1084008567 /nfs/dbraw/zinc/00/85/67/1084008567.db2.gz RFVORZQYQDKXEY-IYBDPMFKSA-N 0 3 323.396 2.139 20 30 DEEDHN C#CCN1CC[C@]2(CCN(C(=O)CC(F)(F)C(F)(F)F)C2)C1 ZINC001277537377 1084025492 /nfs/dbraw/zinc/02/54/92/1084025492.db2.gz BMIGAEGAADHRIC-LBPRGKRZSA-N 0 3 324.293 2.132 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)Cc2ccc3cnccc3c2)C1 ZINC001491110072 1084084270 /nfs/dbraw/zinc/08/42/70/1084084270.db2.gz CRNRYFSOMXMNSK-QGZVFWFLSA-N 0 3 321.424 2.239 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001491123266 1084097733 /nfs/dbraw/zinc/09/77/33/1084097733.db2.gz SHGKEMRREVOYOZ-GXTWGEPZSA-N 0 3 324.856 2.169 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccn(C)n2)C[C@@H]1C ZINC001277740665 1084122641 /nfs/dbraw/zinc/12/26/41/1084122641.db2.gz RUNFNNAYMWTHNS-GJZGRUSLSA-N 0 3 318.465 2.492 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2cc(C)no2)C[C@@H]1C ZINC001277786755 1084149001 /nfs/dbraw/zinc/14/90/01/1084149001.db2.gz YIPCBFVDTHPKQN-GJZGRUSLSA-N 0 3 321.421 2.045 20 30 DEEDHN O=C(c1cccnc1)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277797141 1084153358 /nfs/dbraw/zinc/15/33/58/1084153358.db2.gz OXAYNCCOKLXDMS-IBGZPJMESA-N 0 3 319.408 2.328 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1CCCCN1CCOC1CCC1 ZINC001491206783 1084153889 /nfs/dbraw/zinc/15/38/89/1084153889.db2.gz SAYIHUCXTQWWBW-MRXNPFEDSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001491225154 1084168376 /nfs/dbraw/zinc/16/83/76/1084168376.db2.gz VNKNIHXRDBSPNF-OAHLLOKOSA-N 0 3 317.433 2.103 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001491236218 1084174597 /nfs/dbraw/zinc/17/45/97/1084174597.db2.gz IQLUYYWKRMGOHS-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CCCOC1CCOCC1 ZINC001491231774 1084176032 /nfs/dbraw/zinc/17/60/32/1084176032.db2.gz UKOSWZPXQVLXBB-MRXNPFEDSA-N 0 3 324.465 2.119 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)COCCC=C ZINC001491281884 1084205302 /nfs/dbraw/zinc/20/53/02/1084205302.db2.gz LTMUAPRUVJJTQA-IAGOWNOFSA-N 0 3 304.434 2.058 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CCCC(F)(F)F)C2)CC1 ZINC001272816567 1084243234 /nfs/dbraw/zinc/24/32/34/1084243234.db2.gz AAGDMHPIEWOTQE-UHFFFAOYSA-N 0 3 302.340 2.277 20 30 DEEDHN CC(C)OCC(=O)NCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001235108552 1084311701 /nfs/dbraw/zinc/31/17/01/1084311701.db2.gz ARUIKXCVGFBYIT-UHFFFAOYSA-N 0 3 321.396 2.060 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001277924436 1084317003 /nfs/dbraw/zinc/31/70/03/1084317003.db2.gz HXRCZDWWUZUUJH-ZBFHGGJFSA-N 0 3 304.438 2.103 20 30 DEEDHN C=CCC(CC=C)C(=O)NCCN[C@H](C)C(=O)NC(CC)CC ZINC001128087907 1084320577 /nfs/dbraw/zinc/32/05/77/1084320577.db2.gz FDHRLFGHNFXTED-CQSZACIVSA-N 0 3 323.481 2.154 20 30 DEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3ccnn3C(C)C)C2)C1=O ZINC001272842747 1084369925 /nfs/dbraw/zinc/36/99/25/1084369925.db2.gz DINXOLJWJCLDJR-SFHVURJKSA-N 0 3 316.449 2.465 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCNC1=O ZINC001235304966 1084380709 /nfs/dbraw/zinc/38/07/09/1084380709.db2.gz VJUGFGHEVLSZQU-HZPDHXFCSA-N 0 3 323.481 2.016 20 30 DEEDHN N#CCCCN1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001277940815 1084411289 /nfs/dbraw/zinc/41/12/89/1084411289.db2.gz 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C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001078252475 1084618122 /nfs/dbraw/zinc/61/81/22/1084618122.db2.gz JNLLPOOBSLKDGU-GARNVTTQSA-N 0 3 308.466 2.330 20 30 DEEDHN N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1ccc[nH]1)CC2 ZINC001272926997 1084673907 /nfs/dbraw/zinc/67/39/07/1084673907.db2.gz WHZNQKAGFWGJBY-HNNXBMFYSA-N 0 3 300.406 2.037 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C2CC2)C12CCC2 ZINC001078525628 1084719716 /nfs/dbraw/zinc/71/97/16/1084719716.db2.gz CEJUQQSHLBOVLS-RYUDHWBXSA-N 0 3 313.239 2.322 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncoc2C)C12CCC2 ZINC001078573704 1084752223 /nfs/dbraw/zinc/75/22/23/1084752223.db2.gz MVXTVWQINNETEK-NWDGAFQWSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnnc2C)C12CCC2 ZINC001078671736 1084805465 /nfs/dbraw/zinc/80/54/65/1084805465.db2.gz XEEDBJAUKBAIQB-KBPBESRZSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccn(CC)n2)C12CCC2 ZINC001078741748 1084855251 /nfs/dbraw/zinc/85/52/51/1084855251.db2.gz 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CN(C[C@@H]1CC(C)(C)CO1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615240 1085385691 /nfs/dbraw/zinc/38/56/91/1085385691.db2.gz VNRJYXBFKQAJQE-IRXDYDNUSA-N 0 3 318.461 2.138 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccc2)on1 ZINC000960945619 1085516812 /nfs/dbraw/zinc/51/68/12/1085516812.db2.gz JEJUKCBHDVOMMK-HALDLXJZSA-N 0 3 309.369 2.188 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC000965230146 1085562727 /nfs/dbraw/zinc/56/27/27/1085562727.db2.gz PATZUYLWJIMCKF-CEHQIQABSA-N 0 3 324.852 2.323 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2cccc(C#N)c2)cc(C)n1 ZINC001128284100 1085670207 /nfs/dbraw/zinc/67/02/07/1085670207.db2.gz FENUZXWDBLPCIL-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 ZINC000961977541 1085928848 /nfs/dbraw/zinc/92/88/48/1085928848.db2.gz AOTMIHLRXRDWFN-IMRBUKKESA-N 0 3 303.431 2.257 20 30 DEEDHN N#Cc1cccc(CNCCNC(=O)c2cc3occc3[nH]2)c1 ZINC001128491207 1085970067 /nfs/dbraw/zinc/97/00/67/1085970067.db2.gz TVROAHCIHCRQER-UHFFFAOYSA-N 0 3 308.341 2.152 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(OC(C)C)cc1 ZINC000962460547 1086123307 /nfs/dbraw/zinc/12/33/07/1086123307.db2.gz FMZIMRUXLMJINE-FVQHAEBGSA-N 0 3 300.402 2.320 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc2c1CCCC2 ZINC000962480810 1086130998 /nfs/dbraw/zinc/13/09/98/1086130998.db2.gz DYWOMRJOWYPKSS-VIKVFOODSA-N 0 3 302.443 2.473 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C(C)(C)C)s1 ZINC000962819101 1086247930 /nfs/dbraw/zinc/24/79/30/1086247930.db2.gz IJBCQUFHVLVVJI-PJXYFTJBSA-N 0 3 305.447 2.287 20 30 DEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)c1ccccn1)C2 ZINC000963489768 1086475648 /nfs/dbraw/zinc/47/56/48/1086475648.db2.gz NJOMQLYIRQROQB-UHFFFAOYSA-N 0 3 305.809 2.465 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@@H](O)C1 ZINC001083866210 1086577358 /nfs/dbraw/zinc/57/73/58/1086577358.db2.gz LMKCQYAFYNDALD-XKQJLSEDSA-N 0 3 320.433 2.127 20 30 DEEDHN C#CCC1(C(=O)NCCNCc2sc(C)nc2C)CCC1 ZINC001129121300 1086597427 /nfs/dbraw/zinc/59/74/27/1086597427.db2.gz RLQXTHNCCYXKHA-UHFFFAOYSA-N 0 3 305.447 2.159 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2F)[C@@H](O)C1 ZINC001083871402 1087011060 /nfs/dbraw/zinc/01/10/60/1087011060.db2.gz LVNPKZDXYLGIFJ-XYPHTWIQSA-N 0 3 320.408 2.057 20 30 DEEDHN CC(C)=CCN1CC[C@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001273178615 1087193429 /nfs/dbraw/zinc/19/34/29/1087193429.db2.gz WLMJBPUXJCZBOY-IBGZPJMESA-N 0 3 324.428 2.344 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](O)C1 ZINC001090330161 1087682234 /nfs/dbraw/zinc/68/22/34/1087682234.db2.gz SENMWEJBAGQZQJ-HZPDHXFCSA-N 0 3 308.466 2.474 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1c1cccc(F)c1 ZINC001079174745 1087735244 /nfs/dbraw/zinc/73/52/44/1087735244.db2.gz FJMWDDTXDRVXEW-ICUWKNINSA-N 0 3 312.388 2.309 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114757094 1088446354 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C[C@H](N[C@H]1C[C@@H](CNC(=O)C#CC(C)(C)C)C1)c1cnccn1 ZINC001488730686 1092710680 /nfs/dbraw/zinc/71/06/80/1092710680.db2.gz SACSOAMCXCBTBW-SOUVJXGZSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001488714183 1092727912 /nfs/dbraw/zinc/72/79/12/1092727912.db2.gz QKLTWKVNCUOYRT-MJBXVCDLSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001488852172 1092780884 /nfs/dbraw/zinc/78/08/84/1092780884.db2.gz VOWGWDPTLJTBML-MPGHIAIKSA-N 0 3 316.449 2.372 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC001488949333 1092845655 /nfs/dbraw/zinc/84/56/55/1092845655.db2.gz VFKAQYYJHLLJDY-HRCADAONSA-N 0 3 318.465 2.397 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)CCCc2cccnc2)[C@H]1CC ZINC001489138987 1092950003 /nfs/dbraw/zinc/95/00/03/1092950003.db2.gz IYTCMZFNIMWMCT-ZWKOTPCHSA-N 0 3 313.445 2.397 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001489157102 1092959304 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C=CCOCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001490553638 1093415701 /nfs/dbraw/zinc/41/57/01/1093415701.db2.gz WORYANFQQZLZEZ-LUKYLMHMSA-N 0 3 306.450 2.206 20 30 DEEDHN C=CCCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001490577088 1093427751 /nfs/dbraw/zinc/42/77/51/1093427751.db2.gz JMVNJUYSAYMGAA-INIZCTEOSA-N 0 3 315.417 2.090 20 30 DEEDHN C=CCOCCN1CCC(N(CCC)C(=O)c2cocn2)CC1 ZINC001490612296 1093445380 /nfs/dbraw/zinc/44/53/80/1093445380.db2.gz DWGNAJFIRXDTMI-UHFFFAOYSA-N 0 3 321.421 2.194 20 30 DEEDHN COCc1cccc(CNC/C=C/CNC(=O)C#CC(C)C)c1 ZINC001274010207 1093763209 /nfs/dbraw/zinc/76/32/09/1093763209.db2.gz ONLYRXSCAZGXSC-SNAWJCMRSA-N 0 3 314.429 2.254 20 30 DEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cccc2c1CCO2 ZINC001274115403 1093805773 /nfs/dbraw/zinc/80/57/73/1093805773.db2.gz BDMGAEMHHPTNHK-HXUWFJFHSA-N 0 3 324.424 2.212 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1cccc(N)n1)CC2 ZINC001274159289 1093826972 /nfs/dbraw/zinc/82/69/72/1093826972.db2.gz NJOYGEODSLWWRG-UHFFFAOYSA-N 0 3 314.433 2.054 20 30 DEEDHN C=CCN1CC[C@@]2(CCN(Cc3cccnc3OCC)C2)C1=O ZINC001274196721 1093845537 /nfs/dbraw/zinc/84/55/37/1093845537.db2.gz AYWSVSRKOZPSPB-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCCC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)CN(CC)CC ZINC001351978320 1151643269 /nfs/dbraw/zinc/64/32/69/1151643269.db2.gz OTOKTLIQGQVPPH-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN CCN1CCN(CC(C)(C)Nc2cc(C)c(C#N)cn2)CC1 ZINC001421156934 1171536997 /nfs/dbraw/zinc/53/69/97/1171536997.db2.gz GVHWRGCAXOCGNC-UHFFFAOYSA-N 0 3 301.438 2.090 20 30 DEEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H]1CC12CCOCC2 ZINC001277373286 1138329949 /nfs/dbraw/zinc/32/99/49/1138329949.db2.gz TZTYFQPEQPCFMY-KBPBESRZSA-N 0 3 314.857 2.430 20 30 DEEDHN CC/C=C\CCCN1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001278053979 1138504603 /nfs/dbraw/zinc/50/46/03/1138504603.db2.gz GFWADIIKOMHQKD-QGZUEGPWSA-N 0 3 301.434 2.427 20 30 DEEDHN COC(=O)[C@@H]1CCCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237467701 1138646038 /nfs/dbraw/zinc/64/60/38/1138646038.db2.gz YGRJIEUAMWKULE-CQSZACIVSA-N 0 3 311.385 2.435 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@@H](CO)N[C@@H](C)c2cccc(F)c2)C1 ZINC001278148725 1138798481 /nfs/dbraw/zinc/79/84/81/1138798481.db2.gz ZNKRWVADCWHINV-BBRMVZONSA-N 0 3 320.408 2.310 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](CO)N[C@@H](C)c2cccc(F)c2)C1 ZINC001278148728 1138798636 /nfs/dbraw/zinc/79/86/36/1138798636.db2.gz ZNKRWVADCWHINV-XJKSGUPXSA-N 0 3 320.408 2.310 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](CNCc1n[nH]c(C)n1)C1CCCC1 ZINC001278258538 1138861998 /nfs/dbraw/zinc/86/19/98/1138861998.db2.gz GDWIPCFGZKCSKT-CQSZACIVSA-N 0 3 319.453 2.090 20 30 DEEDHN COc1ccc(C#N)c(-c2cccc(CN3CCN(C)CC3)c2)n1 ZINC001240306121 1139326252 /nfs/dbraw/zinc/32/62/52/1139326252.db2.gz SVSDOOHMUSDRFU-UHFFFAOYSA-N 0 3 322.412 2.376 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N(CCNC(=O)CN(C)C(C)C)C1CC1 ZINC001296587713 1139808766 /nfs/dbraw/zinc/80/87/66/1139808766.db2.gz YRMOXVLRPYHCAX-UHFFFAOYSA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001296942428 1139833619 /nfs/dbraw/zinc/83/36/19/1139833619.db2.gz ZIMOTXKWNICMCO-JYJNAYRXSA-N 0 3 323.481 2.036 20 30 DEEDHN CCN1CCN(c2ccc(-c3ncc(C#N)c(OC)n3)cc2)CC1 ZINC001241739342 1139847725 /nfs/dbraw/zinc/84/77/25/1139847725.db2.gz YMHCOZOTBQJKPO-UHFFFAOYSA-N 0 3 323.400 2.166 20 30 DEEDHN C=C(C)CCC(=O)NC1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001297521652 1139875781 /nfs/dbraw/zinc/87/57/81/1139875781.db2.gz RQJXLXPXPLATKN-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C[C@H](CNC(=O)CC#Cc1ccccc1)NCc1cccnc1 ZINC001491687848 1140251803 /nfs/dbraw/zinc/25/18/03/1140251803.db2.gz SHAQJHVXLVJEMU-MRXNPFEDSA-N 0 3 307.397 2.118 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)c1ccccc1OCC1CC1 ZINC001491687602 1140251946 /nfs/dbraw/zinc/25/19/46/1140251946.db2.gz QEOGFYQQIYIBRQ-CQSZACIVSA-N 0 3 300.402 2.207 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001491687051 1140252147 /nfs/dbraw/zinc/25/21/47/1140252147.db2.gz YLRRLFKRNPPIAY-AWEZNQCLSA-N 0 3 300.402 2.349 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCc2cncc(C)c2)C1 ZINC001318414497 1140320429 /nfs/dbraw/zinc/32/04/29/1140320429.db2.gz DRNNSCWKTUWOBV-QGZVFWFLSA-N 0 3 301.434 2.431 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001318443328 1140329808 /nfs/dbraw/zinc/32/98/08/1140329808.db2.gz VVUZDKANEDIMRN-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(CCOCCC(C)C)C1 ZINC001318457640 1140337957 /nfs/dbraw/zinc/33/79/57/1140337957.db2.gz JIQOGLBNNSJZLD-JKSUJKDBSA-N 0 3 309.454 2.132 20 30 DEEDHN O=C(NC1(CNCC#Cc2ccc(F)cc2)CCCC1)C(F)F ZINC001318612366 1140373129 /nfs/dbraw/zinc/37/31/29/1140373129.db2.gz CEJFRZUWNACKFD-UHFFFAOYSA-N 0 3 324.346 2.461 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001318845834 1140434323 /nfs/dbraw/zinc/43/43/23/1140434323.db2.gz ONOIUYNJCZRNOC-GDBMZVCRSA-N 0 3 314.857 2.384 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)[C@@H](C)[C@H](C)COC)cc1 ZINC001318996859 1140487897 /nfs/dbraw/zinc/48/78/97/1140487897.db2.gz WWBFYMNQYNBHNE-CVEARBPZSA-N 0 3 316.445 2.334 20 30 DEEDHN CC#CCNCc1ccc(CNC(=O)c2ccc(OC)nc2)cc1 ZINC001318998531 1140488300 /nfs/dbraw/zinc/48/83/00/1140488300.db2.gz JBHZDFKFCMHJTK-UHFFFAOYSA-N 0 3 323.396 2.133 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)CNCc1nc(C)c(C)s1 ZINC001319181897 1140520514 /nfs/dbraw/zinc/52/05/14/1140520514.db2.gz PTTCCODSHUHADL-LBPRGKRZSA-N 0 3 307.463 2.405 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](C)CNCc1ccncc1Cl ZINC001319186702 1140521398 /nfs/dbraw/zinc/52/13/98/1140521398.db2.gz WUZKIVYHEIARGJ-ZDUSSCGKSA-N 0 3 307.825 2.236 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)CN[C@@H](C)c2nnc(C)[nH]2)CCC1 ZINC001319238027 1140532548 /nfs/dbraw/zinc/53/25/48/1140532548.db2.gz NCMXDEBHMJYWQK-STQMWFEESA-N 0 3 319.453 2.262 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001278403144 1140590028 /nfs/dbraw/zinc/59/00/28/1140590028.db2.gz GXQJOOMGRUEQEN-KDOFPFPSSA-N 0 3 322.412 2.293 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)N(C)C(C)C)C1 ZINC001319527561 1140610562 /nfs/dbraw/zinc/61/05/62/1140610562.db2.gz IRJQSMDKRXCGMW-CABCVRRESA-N 0 3 323.481 2.035 20 30 DEEDHN C#CCOCCN(C)CCOc1cccc(Br)c1 ZINC001319655409 1140643957 /nfs/dbraw/zinc/64/39/57/1140643957.db2.gz GYNZFMQQVNXGIF-UHFFFAOYSA-N 0 3 312.207 2.410 20 30 DEEDHN C=C1CC(C)(C(=O)NC[C@H](NCc2ccnn2C)C(C)C)C1 ZINC001319943855 1140805504 /nfs/dbraw/zinc/80/55/04/1140805504.db2.gz MDGKZUQINMUEIE-HNNXBMFYSA-N 0 3 304.438 2.007 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccnc(-n2cccc2)c1 ZINC001320008873 1140812119 /nfs/dbraw/zinc/81/21/19/1140812119.db2.gz CYGIXYDFQCXAHJ-UHFFFAOYSA-N 0 3 312.417 2.452 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001278416061 1140815515 /nfs/dbraw/zinc/81/55/15/1140815515.db2.gz KFSUGNMBDFPDOK-HOCLYGCPSA-N 0 3 309.413 2.313 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)c1cnoc1-c1ccccc1 ZINC001320066952 1140817721 /nfs/dbraw/zinc/81/77/21/1140817721.db2.gz KWHCFEDKCDGMAV-UHFFFAOYSA-N 0 3 311.385 2.369 20 30 DEEDHN CCCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2CC#CCOC)C1 ZINC001320113441 1140823199 /nfs/dbraw/zinc/82/31/99/1140823199.db2.gz XZYRRULIJXRCDM-IAGOWNOFSA-N 0 3 320.477 2.385 20 30 DEEDHN CN1CC2(C1)CCN(C(=S)Nc1ccc(C#N)cc1)CC2 ZINC001245902782 1140829401 /nfs/dbraw/zinc/82/94/01/1140829401.db2.gz IBXCVFSWBPNVLL-UHFFFAOYSA-N 0 3 300.431 2.283 20 30 DEEDHN C=CCCC(=O)NC[C@@H](O)CN[C@H](C)c1ccc(F)c(F)c1 ZINC001320203534 1140837889 /nfs/dbraw/zinc/83/78/89/1140837889.db2.gz NCABPWKIZUYRFL-YPMHNXCESA-N 0 3 312.360 2.059 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CCOc2ccccc2C)C1 ZINC001278422170 1140838561 /nfs/dbraw/zinc/83/85/61/1140838561.db2.gz AVYKTNZYRVPJSQ-IRXDYDNUSA-N 0 3 314.429 2.366 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](O)CNCc1sccc1Cl ZINC001320226971 1140839631 /nfs/dbraw/zinc/83/96/31/1140839631.db2.gz IZKRQQHBISMJGX-LLVKDONJSA-N 0 3 316.854 2.325 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@@H](O)CNCc1ccc(Cl)s1 ZINC001320259176 1140842110 /nfs/dbraw/zinc/84/21/10/1140842110.db2.gz PVSVSZIQTGQGEM-JTQLQIEISA-N 0 3 316.854 2.180 20 30 DEEDHN C=C[C@H](COC)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001320427536 1140864524 /nfs/dbraw/zinc/86/45/24/1140864524.db2.gz GDMHBCUMZMUSJJ-CVEARBPZSA-N 0 3 305.422 2.098 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2ccn(CC)n2)C1 ZINC001320541273 1140877277 /nfs/dbraw/zinc/87/72/77/1140877277.db2.gz PBFZRHCRNNGTDG-AWEZNQCLSA-N 0 3 304.438 2.244 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(CC)CCNCc1cc(F)ccc1C ZINC001320735279 1140901827 /nfs/dbraw/zinc/90/18/27/1140901827.db2.gz WGHXFVPYXBAEPV-OAHLLOKOSA-N 0 3 320.408 2.111 20 30 DEEDHN O=C(C#CC1CC1)NC/C=C/CNCc1ccc(CF)cc1 ZINC001321052978 1141041975 /nfs/dbraw/zinc/04/19/75/1141041975.db2.gz VRXINPMCSKFLIM-OWOJBTEDSA-N 0 3 300.377 2.332 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)Cc3ccco3)CCC[C@@H]12 ZINC001278466080 1141061895 /nfs/dbraw/zinc/06/18/95/1141061895.db2.gz GCIXGSSBMPKZDV-YXJHDRRASA-N 0 3 300.402 2.205 20 30 DEEDHN C#CCNC/C=C/CNC(=O)c1coc(C2CCCCC2)n1 ZINC001321430477 1141250776 /nfs/dbraw/zinc/25/07/76/1141250776.db2.gz RINYGRKXCDKYAT-VOTSOKGWSA-N 0 3 301.390 2.231 20 30 DEEDHN C=CCCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001247678953 1141416606 /nfs/dbraw/zinc/41/66/06/1141416606.db2.gz AWBSPTNCVIHVOA-UHFFFAOYSA-N 0 3 319.474 2.397 20 30 DEEDHN CO[C@H](CN(C)C[C@H](C)NC(=O)C#CC(C)C)c1ccccc1 ZINC001322155236 1141416603 /nfs/dbraw/zinc/41/66/03/1141416603.db2.gz BBMGSXFIYRSXEK-FUHWJXTLSA-N 0 3 316.445 2.470 20 30 DEEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160413 1141422275 /nfs/dbraw/zinc/42/22/75/1141422275.db2.gz LMNQDNPSKQZANN-CHWSQXEVSA-N 0 3 315.421 2.363 20 30 DEEDHN C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001322160413 1141422284 /nfs/dbraw/zinc/42/22/84/1141422284.db2.gz LMNQDNPSKQZANN-CHWSQXEVSA-N 0 3 315.421 2.363 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1cn2ccccc2n1 ZINC001322570570 1141633323 /nfs/dbraw/zinc/63/33/23/1141633323.db2.gz RHPRDXAWFIHSSG-UHFFFAOYSA-N 0 3 320.824 2.067 20 30 DEEDHN CO[C@H](C(=O)N(C)CCCNCc1ccccc1C#N)C(C)C ZINC001322678642 1141678864 /nfs/dbraw/zinc/67/88/64/1141678864.db2.gz SOJBHYWVZCNIIL-KRWDZBQOSA-N 0 3 317.433 2.167 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cccc2nsnc21 ZINC001322765896 1141708028 /nfs/dbraw/zinc/70/80/28/1141708028.db2.gz CAKXLLONPPKRNK-UHFFFAOYSA-N 0 3 324.837 2.496 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001323278322 1141835651 /nfs/dbraw/zinc/83/56/51/1141835651.db2.gz PMSDGTCSAWHTFJ-CQSZACIVSA-N 0 3 303.406 2.174 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cnc3c(F)cccc3c2)CC1 ZINC001323493932 1141858887 /nfs/dbraw/zinc/85/88/87/1141858887.db2.gz VETRTNRGDHFRJB-UHFFFAOYSA-N 0 3 311.360 2.249 20 30 DEEDHN COCC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001323638707 1141872553 /nfs/dbraw/zinc/87/25/53/1141872553.db2.gz UQSYWDYFCKMEEU-HOTGVXAUSA-N 0 3 324.440 2.087 20 30 DEEDHN C#CC[C@]1(c2nc(-c3ccc4nccnc4c3)no2)CCCN1 ZINC001249351735 1141877438 /nfs/dbraw/zinc/87/74/38/1141877438.db2.gz GDRLKBABHGQDMJ-QGZVFWFLSA-N 0 3 305.341 2.282 20 30 DEEDHN C=CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC(C)=C(C)C ZINC001324214074 1142032510 /nfs/dbraw/zinc/03/25/10/1142032510.db2.gz VBXWMETUEGHXOS-HZPDHXFCSA-N 0 3 321.465 2.004 20 30 DEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(Cl)cc2)cn1 ZINC001250689361 1142268597 /nfs/dbraw/zinc/26/85/97/1142268597.db2.gz IFQDWPVKQUUYOL-HNNXBMFYSA-N 0 3 317.776 2.136 20 30 DEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccc(F)cc1F ZINC001250857283 1142336945 /nfs/dbraw/zinc/33/69/45/1142336945.db2.gz QFGXEARLOBFRKO-REBRKWNGSA-N 0 3 322.355 2.471 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2onc3c2CCCC3)CC1 ZINC001278615241 1142348519 /nfs/dbraw/zinc/34/85/19/1142348519.db2.gz GSQYYDIXVUTEQN-UHFFFAOYSA-N 0 3 315.417 2.019 20 30 DEEDHN N#Cc1ccc(N2CCCN(C[C@H](O)c3ccccc3)CC2)nc1 ZINC001251991645 1142582500 /nfs/dbraw/zinc/58/25/00/1142582500.db2.gz ZLKSQSYIWLMMSN-SFHVURJKSA-N 0 3 322.412 2.199 20 30 DEEDHN N#Cc1cc(CNC[C@H](O)COCc2ccccc2)cs1 ZINC001252308241 1142679805 /nfs/dbraw/zinc/67/98/05/1142679805.db2.gz QKQGHVIXAXSNPM-HNNXBMFYSA-N 0 3 302.399 2.287 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001337247390 1142716843 /nfs/dbraw/zinc/71/68/43/1142716843.db2.gz RKHPIXDSBUAGMA-HZPDHXFCSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOC[C@H](O)CN1CCC(C(C)=O)(c2ccccc2)CC1 ZINC001252468118 1142723243 /nfs/dbraw/zinc/72/32/43/1142723243.db2.gz KUGMOWXKFCYJBU-GOSISDBHSA-N 0 3 317.429 2.173 20 30 DEEDHN C=C[C@](C)(O)CNCc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001252585853 1142772264 /nfs/dbraw/zinc/77/22/64/1142772264.db2.gz VELRZHQXXVCYHQ-INIZCTEOSA-N 0 3 307.394 2.455 20 30 DEEDHN C=CCC[C@H](O)CNc1ccc(CN2CCN(C)CC2)cc1 ZINC001252605261 1142786148 /nfs/dbraw/zinc/78/61/48/1142786148.db2.gz LCPGXLINCDAWGA-SFHVURJKSA-N 0 3 303.450 2.173 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001278693024 1142840167 /nfs/dbraw/zinc/84/01/67/1142840167.db2.gz DOFNOZIXPKHJPU-AEFFLSMTSA-N 0 3 318.461 2.045 20 30 DEEDHN C=CCOC(=O)N[C@H]1CCCN(C[C@](C)(O)c2ccccc2)C1 ZINC001253107447 1142844807 /nfs/dbraw/zinc/84/48/07/1142844807.db2.gz QCTFFDVDNOZYFE-WMZOPIPTSA-N 0 3 318.417 2.271 20 30 DEEDHN C=C[C@H](O)CN1CCN(c2ccc(Br)cc2)CC1 ZINC001253575775 1142881385 /nfs/dbraw/zinc/88/13/85/1142881385.db2.gz DBJLZRSCSAXFDP-AWEZNQCLSA-N 0 3 311.223 2.118 20 30 DEEDHN C=C[C@@H](O)CN1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001253577574 1142881812 /nfs/dbraw/zinc/88/18/12/1142881812.db2.gz WXTNVYWBOMZVSS-CTHBEMJXSA-N 0 3 306.431 2.329 20 30 DEEDHN C=C[C@H](O)CNCc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC001253607495 1142883589 /nfs/dbraw/zinc/88/35/89/1142883589.db2.gz XXUZUYWVWVLSPT-LBPRGKRZSA-N 0 3 313.344 2.159 20 30 DEEDHN C[C@](O)(CN1CCC[C@@H](C#N)CC1)C(=O)OCc1ccccc1 ZINC001253637062 1142886707 /nfs/dbraw/zinc/88/67/07/1142886707.db2.gz XUQNUCNDCYLFNB-QAPCUYQASA-N 0 3 316.401 2.106 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCCC)cc1 ZINC001339850875 1143134605 /nfs/dbraw/zinc/13/46/05/1143134605.db2.gz CEIGSWOPVXYSLA-OAHLLOKOSA-N 0 3 303.406 2.449 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@H](O)CNCc1ccccc1Cl ZINC001278790416 1143138773 /nfs/dbraw/zinc/13/87/73/1143138773.db2.gz FJEQXNAUOCNBAF-CQSZACIVSA-N 0 3 324.852 2.461 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC(NC(C)=O)CC1 ZINC001340014004 1143234596 /nfs/dbraw/zinc/23/45/96/1143234596.db2.gz LQSVZFWXOVNNNH-INIZCTEOSA-N 0 3 311.470 2.191 20 30 DEEDHN C=CCCCC(=O)NC[C@@]1(O)CCN(Cc2ccc(C)cc2)C1 ZINC001278799903 1143287029 /nfs/dbraw/zinc/28/70/29/1143287029.db2.gz JAMDRXTVYWEWCQ-IBGZPJMESA-N 0 3 316.445 2.404 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC001340179765 1143289193 /nfs/dbraw/zinc/28/91/93/1143289193.db2.gz ITMJJLYITFAGRV-WFASDCNBSA-N 0 3 318.417 2.318 20 30 DEEDHN C#CCN1CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254628398 1143289718 /nfs/dbraw/zinc/28/97/18/1143289718.db2.gz CPBWVOCSBDMEQJ-UHFFFAOYSA-N 0 3 301.409 2.045 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001278800664 1143290822 /nfs/dbraw/zinc/29/08/22/1143290822.db2.gz PIDGBDUUBFQKCH-GUYCJALGSA-N 0 3 322.836 2.183 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1nc2ccccc2n1CC ZINC001340648675 1143389995 /nfs/dbraw/zinc/38/99/95/1143389995.db2.gz HKLWYABYJMJSSS-ZDUSSCGKSA-N 0 3 300.406 2.356 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC001340721028 1143415175 /nfs/dbraw/zinc/41/51/75/1143415175.db2.gz SPRIJGSYEUQXCY-JKSUJKDBSA-N 0 3 321.469 2.205 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC001340735799 1143421033 /nfs/dbraw/zinc/42/10/33/1143421033.db2.gz MKOCSAQLKNHMIL-CJNGLKHVSA-N 0 3 306.406 2.262 20 30 DEEDHN CC[C@@H](CC#N)NC[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255151957 1143447447 /nfs/dbraw/zinc/44/74/47/1143447447.db2.gz JWCPPJFROBFFTI-BYNSBNAKSA-N 0 3 323.437 2.150 20 30 DEEDHN CC[C@H](CC#N)N1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255169529 1143464478 /nfs/dbraw/zinc/46/44/78/1143464478.db2.gz GHYMOLRTCLUZQK-SJLPKXTDSA-N 0 3 312.417 2.198 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CCCN(CC)C1=O ZINC001341019299 1143524100 /nfs/dbraw/zinc/52/41/00/1143524100.db2.gz MUPCCAMNEXQNHH-HUUCEWRRSA-N 0 3 311.470 2.191 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001341044948 1143529133 /nfs/dbraw/zinc/52/91/33/1143529133.db2.gz IUYHCHPFQOATIV-SDDRHHMPSA-N 0 3 321.343 2.014 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001341810845 1143717207 /nfs/dbraw/zinc/71/72/07/1143717207.db2.gz NJRBTASTQYOPLW-CYBMUJFWSA-N 0 3 303.362 2.476 20 30 DEEDHN C=CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001342261553 1143807320 /nfs/dbraw/zinc/80/73/20/1143807320.db2.gz HGRASNKEPMHOIB-GBJTYRQASA-N 0 3 314.437 2.010 20 30 DEEDHN C=CCN1CCC[C@H]1CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC001255805940 1143807474 /nfs/dbraw/zinc/80/74/74/1143807474.db2.gz ZTJNPXSLQKKBMI-CVEARBPZSA-N 0 3 322.474 2.089 20 30 DEEDHN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001342287337 1143809301 /nfs/dbraw/zinc/80/93/01/1143809301.db2.gz MOLIUBWUBCWCSK-CQSZACIVSA-N 0 3 315.417 2.231 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N1CCN(CCC#N)CC1 ZINC001342392613 1143815078 /nfs/dbraw/zinc/81/50/78/1143815078.db2.gz PTCZRFVUCPISAI-INIZCTEOSA-N 0 3 308.470 2.122 20 30 DEEDHN C=CCN(C)CCN(C(=O)[C@H](C)Oc1cccnc1)C(C)C ZINC001278918874 1143834224 /nfs/dbraw/zinc/83/42/24/1143834224.db2.gz XCBBHDGLWUSHRG-HNNXBMFYSA-N 0 3 305.422 2.204 20 30 DEEDHN CC(C)(C)OC(=O)N[C@@H]1CN(C2CCC(C#N)CC2)CC[C@H]1O ZINC001256969492 1143877373 /nfs/dbraw/zinc/87/73/73/1143877373.db2.gz KGXIISARPSAYNJ-NEXFUWMNSA-N 0 3 323.437 2.029 20 30 DEEDHN CCOC(=O)C1(C(=O)OCC)CCC(N(CC)CCC#N)CC1 ZINC001257005794 1143879708 /nfs/dbraw/zinc/87/97/08/1143879708.db2.gz SGPKQAJQMSZNPD-UHFFFAOYSA-N 0 3 324.421 2.277 20 30 DEEDHN COCC#CCN1CCC([C@@H](C)NC(=O)/C=C/C(C)(C)C)CC1 ZINC001279071950 1143970125 /nfs/dbraw/zinc/97/01/25/1143970125.db2.gz MILOBFUNGIXQAD-YCABEKBOSA-N 0 3 320.477 2.455 20 30 DEEDHN CCOc1ccc(CN(C)C(=O)[C@@H](N)CCCC#N)cc1OC ZINC001261424730 1144246565 /nfs/dbraw/zinc/24/65/65/1144246565.db2.gz CGGYDQKWTOFGLD-AWEZNQCLSA-N 0 3 319.405 2.073 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001261493439 1144252063 /nfs/dbraw/zinc/25/20/63/1144252063.db2.gz BFQJSOAAPSAMBT-INIZCTEOSA-N 0 3 315.417 2.449 20 30 DEEDHN C#CCn1cc(CNCCC(=O)Nc2cccc(F)c2C)cn1 ZINC001262572908 1144320431 /nfs/dbraw/zinc/32/04/31/1144320431.db2.gz HSPSOINDEHACMR-UHFFFAOYSA-N 0 3 314.364 2.082 20 30 DEEDHN C=CCn1c(N2CCN([C@H](C)CC)CC2)nnc1C(C)(F)F ZINC001262955472 1144344787 /nfs/dbraw/zinc/34/47/87/1144344787.db2.gz IICJWIBULPZZSE-GFCCVEGCSA-N 0 3 313.396 2.496 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cccc(OCC)n1 ZINC001263294238 1144366603 /nfs/dbraw/zinc/36/66/03/1144366603.db2.gz PQDMOLYWZHQEIY-CQSZACIVSA-N 0 3 317.389 2.038 20 30 DEEDHN C=C[C@](C)(CCOC)COC(=O)C1CCCN(C2CC2)C1=O ZINC001263471531 1144376528 /nfs/dbraw/zinc/37/65/28/1144376528.db2.gz FTQHZHNVKXZKSL-RHSMWYFYSA-N 0 3 309.406 2.159 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)CCOC ZINC001263946845 1144429712 /nfs/dbraw/zinc/42/97/12/1144429712.db2.gz YTPXKRANWIMISC-TZMCWYRMSA-N 0 3 302.846 2.382 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1nccs1 ZINC001264186228 1144501372 /nfs/dbraw/zinc/50/13/72/1144501372.db2.gz UVBYEURJDSGZRN-AWEZNQCLSA-N 0 3 323.462 2.272 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccc(OC)nc1 ZINC001264364632 1144514230 /nfs/dbraw/zinc/51/42/30/1144514230.db2.gz GZEFOKSRXSZFBJ-MRXNPFEDSA-N 0 3 317.433 2.132 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001264382743 1144523474 /nfs/dbraw/zinc/52/34/74/1144523474.db2.gz OZRSSWGBQCICTG-CZUORRHYSA-N 0 3 318.465 2.249 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC001264627974 1144581455 /nfs/dbraw/zinc/58/14/55/1144581455.db2.gz DMMSVQPAGUCCII-QGZVFWFLSA-N 0 3 302.418 2.080 20 30 DEEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001264634364 1144582947 /nfs/dbraw/zinc/58/29/47/1144582947.db2.gz NDPXTQFAVFMKNT-MRXNPFEDSA-N 0 3 308.466 2.284 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001265018487 1144625354 /nfs/dbraw/zinc/62/53/54/1144625354.db2.gz SNLUAPSULZRRFX-UHFFFAOYSA-N 0 3 313.323 2.175 20 30 DEEDHN N#Cc1cc(C(=O)NCCCN(Cc2cccnc2)C2CC2)c[nH]1 ZINC001265159457 1144656999 /nfs/dbraw/zinc/65/69/99/1144656999.db2.gz WABJMSBLCBIWQS-UHFFFAOYSA-N 0 3 323.400 2.066 20 30 DEEDHN CCCCCCCN1CCC[C@H](NC(=O)c2nccnc2N)C1 ZINC001265207681 1144666727 /nfs/dbraw/zinc/66/67/27/1144666727.db2.gz KTOUIPGJOXYVPM-AWEZNQCLSA-N 0 3 319.453 2.223 20 30 DEEDHN O=C(CC#Cc1ccccc1)N[C@H]1CCCN(CCCF)C1 ZINC001265235396 1144674807 /nfs/dbraw/zinc/67/48/07/1144674807.db2.gz OLCLTNWAEGZQKL-KRWDZBQOSA-N 0 3 302.393 2.368 20 30 DEEDHN C=CCC1(C(=O)NCCN2CCN(CCCC)CC2)CCC1 ZINC001265264550 1144677553 /nfs/dbraw/zinc/67/75/53/1144677553.db2.gz UNOBEMZRZPABIZ-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=CCCN1CCN(CCNC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001265265399 1144677572 /nfs/dbraw/zinc/67/75/72/1144677572.db2.gz XTEMSWHFCMSNMW-ROUUACIJSA-N 0 3 319.493 2.123 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2cc(C)ns2)C1 ZINC001265420763 1144703235 /nfs/dbraw/zinc/70/32/35/1144703235.db2.gz FXINRYVZKGTWAV-KBPBESRZSA-N 0 3 323.462 2.123 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001265448480 1144704781 /nfs/dbraw/zinc/70/47/81/1144704781.db2.gz YNTSJCDNLIQBSF-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C1)C(F)F ZINC001265462338 1144705483 /nfs/dbraw/zinc/70/54/83/1144705483.db2.gz FYTICXXSFODXIQ-HAQNSBGRSA-N 0 3 312.747 2.193 20 30 DEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2cccc(C)c2)C1 ZINC001265468409 1144705534 /nfs/dbraw/zinc/70/55/34/1144705534.db2.gz BOKKEKGEOXPSDK-WKILWMFISA-N 0 3 315.417 2.137 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2cc(OC)ns2)C1 ZINC001265497261 1144707375 /nfs/dbraw/zinc/70/73/75/1144707375.db2.gz MDMGRKBPNMJKCB-HAQNSBGRSA-N 0 3 323.462 2.491 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC001265597422 1144716450 /nfs/dbraw/zinc/71/64/50/1144716450.db2.gz YABLFPAQLWIADT-HUUCEWRRSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC001265603270 1144717234 /nfs/dbraw/zinc/71/72/34/1144717234.db2.gz SMMIWLFXDYUGGO-HNNXBMFYSA-N 0 3 304.438 2.023 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001265706467 1144731956 /nfs/dbraw/zinc/73/19/56/1144731956.db2.gz WNKGAMAJLGLRGB-DLBZAZTESA-N 0 3 320.477 2.455 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC001265943357 1144764658 /nfs/dbraw/zinc/76/46/58/1144764658.db2.gz RQQVGYNBNSRKGT-ZDUSSCGKSA-N 0 3 306.793 2.176 20 30 DEEDHN C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1cnnn1C ZINC001265998270 1144780933 /nfs/dbraw/zinc/78/09/33/1144780933.db2.gz RORJVUJOIVXVKM-GDBMZVCRSA-N 0 3 319.453 2.031 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](CNCc2ccn(CC)n2)C1 ZINC001266008758 1144784098 /nfs/dbraw/zinc/78/40/98/1144784098.db2.gz IZVORLWTVGTPSR-HZPDHXFCSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@@H](CNCc2ccn(CC)n2)C1 ZINC001266008756 1144784365 /nfs/dbraw/zinc/78/43/65/1144784365.db2.gz IZVORLWTVGTPSR-CVEARBPZSA-N 0 3 318.465 2.443 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](CNCc2csnc2OC)C1 ZINC001266012618 1144785868 /nfs/dbraw/zinc/78/58/68/1144785868.db2.gz GZGCAJNNGQGYHL-ZDUSSCGKSA-N 0 3 323.462 2.446 20 30 DEEDHN COCC#CCN(CCCNC(=O)C1CC(C)(C)C1)C1CC1 ZINC001266133140 1144808565 /nfs/dbraw/zinc/80/85/65/1144808565.db2.gz UPJWEYSIYPTJBP-UHFFFAOYSA-N 0 3 306.450 2.043 20 30 DEEDHN C#Cc1cncc(C(=O)NCCC[C@H]2CCCN2CCF)c1 ZINC001266231551 1144816865 /nfs/dbraw/zinc/81/68/65/1144816865.db2.gz KUJDVQRHXWMUPL-INIZCTEOSA-N 0 3 303.381 2.007 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC1(C2CCN(C[C@@H](F)CC)CC2)CC1 ZINC001279360196 1144821286 /nfs/dbraw/zinc/82/12/86/1144821286.db2.gz ISTNHEAACVZMLK-ZBFHGGJFSA-N 0 3 324.440 2.134 20 30 DEEDHN C=CCN1CC=C(CNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC001279590463 1144825274 /nfs/dbraw/zinc/82/52/74/1144825274.db2.gz BLXBOPXGJKGVAR-CYBMUJFWSA-N 0 3 316.449 2.454 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1C ZINC001316602729 1144835368 /nfs/dbraw/zinc/83/53/68/1144835368.db2.gz SUAHYACLIFORCT-OAHLLOKOSA-N 0 3 304.438 2.149 20 30 DEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC001280757349 1144853353 /nfs/dbraw/zinc/85/33/53/1144853353.db2.gz VGUPMTYDQMUPRO-WBVHZDCISA-N 0 3 318.465 2.493 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001281163429 1144875196 /nfs/dbraw/zinc/87/51/96/1144875196.db2.gz OCKBKMMLWPFOQY-CRAIPNDOSA-N 0 3 308.466 2.025 20 30 DEEDHN C#CCN[C@]1(CO)CCCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001281184716 1144876511 /nfs/dbraw/zinc/87/65/11/1144876511.db2.gz NTPTZKUNVLMVKB-PKOBYXMFSA-N 0 3 322.493 2.415 20 30 DEEDHN C=C(C)CCN1Cc2ccc(CNC(=O)Cn3cccn3)cc2C1 ZINC001281284598 1144880564 /nfs/dbraw/zinc/88/05/64/1144880564.db2.gz FAUJNFJHTUDOPT-UHFFFAOYSA-N 0 3 324.428 2.481 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1cc(C(F)F)n(C)n1 ZINC001281951175 1144922931 /nfs/dbraw/zinc/92/29/31/1144922931.db2.gz YGQUNASEORZGBW-LLVKDONJSA-N 0 3 312.364 2.080 20 30 DEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)c1ncoc1-c1ccon1 ZINC001281965285 1144924563 /nfs/dbraw/zinc/92/45/63/1144924563.db2.gz QPXSARUZLLZSTE-GFCCVEGCSA-N 0 3 316.361 2.052 20 30 DEEDHN CN(C)[C@H](CNc1cnc(C#N)c(C#N)n1)c1ccc(F)cc1 ZINC001364130942 1145028745 /nfs/dbraw/zinc/02/87/45/1145028745.db2.gz NJPBBKZNIOLKPN-OAHLLOKOSA-N 0 3 310.336 2.074 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1C ZINC001282391802 1145058553 /nfs/dbraw/zinc/05/85/53/1145058553.db2.gz SUXBCXIACFEHFG-CABCVRRESA-N 0 3 320.408 2.109 20 30 DEEDHN CCCC[C@@H](CNCC#CCOC)NC(=O)c1cc(C)c(C)o1 ZINC001282638073 1145103663 /nfs/dbraw/zinc/10/36/63/1145103663.db2.gz DXJCILUCYLVNTJ-INIZCTEOSA-N 0 3 320.433 2.424 20 30 DEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC001282678699 1145124336 /nfs/dbraw/zinc/12/43/36/1145124336.db2.gz YXGSUDSNRLZILZ-MRXNPFEDSA-N 0 3 302.393 2.362 20 30 DEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001282726935 1145147524 /nfs/dbraw/zinc/14/75/24/1145147524.db2.gz XRNNZGPGMSHTSN-MXSMSXNCSA-N 0 3 320.477 2.452 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001282744837 1145159857 /nfs/dbraw/zinc/15/98/57/1145159857.db2.gz NNJPRYKANRFUNH-OAHLLOKOSA-N 0 3 310.441 2.178 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)Cc3c(C)oc4ccccc43)[C@@H]2C1 ZINC001282895499 1145193384 /nfs/dbraw/zinc/19/33/84/1145193384.db2.gz NWQKNEUNHRNZFX-NNZMDNLPSA-N 0 3 322.408 2.211 20 30 DEEDHN COc1ncccc1CNCCC[C@@H](C)NC(=O)C#CC(C)C ZINC001283166507 1145299139 /nfs/dbraw/zinc/29/91/39/1145299139.db2.gz ZGEMYEQQWUKQHJ-OAHLLOKOSA-N 0 3 317.433 2.124 20 30 DEEDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@@H](O)c1cccc(C#N)c1 ZINC001364660815 1145422718 /nfs/dbraw/zinc/42/27/18/1145422718.db2.gz UUOTXEXJJJLBCO-QZTJIDSGSA-N 0 3 310.401 2.471 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)CC(F)(F)C(F)(F)F ZINC001283723343 1145617781 /nfs/dbraw/zinc/61/77/81/1145617781.db2.gz KFGFUXWPAPQSLG-SECBINFHSA-N 0 3 300.271 2.034 20 30 DEEDHN Cc1nsc(C)c1CN[C@H]1C[C@@H](C)N(C(=O)C#CC(C)C)C1 ZINC001283983864 1145737158 /nfs/dbraw/zinc/73/71/58/1145737158.db2.gz WVWQUPBXFFFUEG-DOMZBBRYSA-N 0 3 319.474 2.498 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)CCc2nc(C(C)C)no2)[C@@H]1C ZINC001284131267 1145805324 /nfs/dbraw/zinc/80/53/24/1145805324.db2.gz PQBZIWIXYZIURG-UONOGXRCSA-N 0 3 320.437 2.281 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC001284130702 1145805507 /nfs/dbraw/zinc/80/55/07/1145805507.db2.gz XCGRCPPHLKRYRO-FUHWJXTLSA-N 0 3 314.429 2.196 20 30 DEEDHN CN(CC(=O)N1CCc2c(C#N)c(N)sc2C1)CC(C)(C)C ZINC001365122351 1145806468 /nfs/dbraw/zinc/80/64/68/1145806468.db2.gz YDTWBSNTVHIQKX-UHFFFAOYSA-N 0 3 320.462 2.065 20 30 DEEDHN COCC#CCN[C@@H]1CN(C(=O)CCCC(C)C)CC1(C)C ZINC001284322984 1145836716 /nfs/dbraw/zinc/83/67/16/1145836716.db2.gz KGLCLOMJSRFNOI-MRXNPFEDSA-N 0 3 308.466 2.289 20 30 DEEDHN C[C@@H]1Cc2n[nH]cc2CN(CCC(=O)Nc2ccccc2C#N)C1 ZINC001365344852 1145852981 /nfs/dbraw/zinc/85/29/81/1145852981.db2.gz OXLUMPWYFFMRAX-CYBMUJFWSA-N 0 3 323.400 2.304 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)Cc1cccc(C)c1Cl ZINC001284506842 1145864646 /nfs/dbraw/zinc/86/46/46/1145864646.db2.gz XAHCHFLYDIAHJR-OAHLLOKOSA-N 0 3 324.852 2.128 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)Cc1c(C)cc(C)cc1C ZINC001284509690 1145864908 /nfs/dbraw/zinc/86/49/08/1145864908.db2.gz OSTJDEQUDUNAOS-KRWDZBQOSA-N 0 3 318.461 2.091 20 30 DEEDHN C=CCN(C)CCN(C(=O)CCc1cnn(C)c1C)C(C)C ZINC001284536618 1145868759 /nfs/dbraw/zinc/86/87/59/1145868759.db2.gz JHHRXRPDKXBYOD-UHFFFAOYSA-N 0 3 306.454 2.016 20 30 DEEDHN C=C(C)CN(CCNC(=O)[C@@H]1CCCC(F)(F)C1)CCOC ZINC001284666836 1145887275 /nfs/dbraw/zinc/88/72/75/1145887275.db2.gz AUYVIYWEXWFCEM-CQSZACIVSA-N 0 3 318.408 2.453 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1C(=O)CN(CC)CC ZINC001284681681 1145889567 /nfs/dbraw/zinc/88/95/67/1145889567.db2.gz OUNMFWGPVGCFBY-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001284691594 1145891140 /nfs/dbraw/zinc/89/11/40/1145891140.db2.gz UNQHOMGFWQSEFM-CRAIPNDOSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)COc2ccccc2C)CC1 ZINC001284702431 1145893061 /nfs/dbraw/zinc/89/30/61/1145893061.db2.gz ORISTUZSZZRRAV-MRXNPFEDSA-N 0 3 314.429 2.224 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)CC3(C)CC3)CC2)CC1 ZINC001284843217 1145936319 /nfs/dbraw/zinc/93/63/19/1145936319.db2.gz PVOIUOSBJZDPLX-UHFFFAOYSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCCCC(=O)NCC1=CCN(C[C@H]2CC(C)(C)CO2)CC1 ZINC001284908569 1145967137 /nfs/dbraw/zinc/96/71/37/1145967137.db2.gz HFBDIHHZPZILJZ-QGZVFWFLSA-N 0 3 318.461 2.353 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2ccnn2CC)c(F)c1 ZINC001285003960 1146006460 /nfs/dbraw/zinc/00/64/60/1146006460.db2.gz DMPKNLYDVFSXML-UHFFFAOYSA-N 0 3 316.380 2.248 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](N(CC)C(=O)[C@@H](CC)N(C)C)C1 ZINC001285023642 1146011234 /nfs/dbraw/zinc/01/12/34/1146011234.db2.gz BHAOYCZNASDGBO-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN C=C(C)CCC(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001285125170 1146030267 /nfs/dbraw/zinc/03/02/67/1146030267.db2.gz LAAFBOJVKKAZBS-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001285680462 1146277143 /nfs/dbraw/zinc/27/71/43/1146277143.db2.gz ISGNOBLGHRCLKN-CQSZACIVSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCCC(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001333061112 1146581756 /nfs/dbraw/zinc/58/17/56/1146581756.db2.gz LGDLRQFJCJDPKE-UHFFFAOYSA-N 0 3 305.447 2.334 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(C(=O)CN(CC)CC)[C@H]1C ZINC001288012464 1146762099 /nfs/dbraw/zinc/76/20/99/1146762099.db2.gz NOCCIZZMDTWYNM-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](NC(=O)CN(CC)CC)CC[C@H]1C ZINC001288465415 1146804006 /nfs/dbraw/zinc/80/40/06/1146804006.db2.gz FCBWZDLJMIJFGZ-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]1CC ZINC001290455885 1146836633 /nfs/dbraw/zinc/83/66/33/1146836633.db2.gz MZCUKKCDOHQGCN-RRFJBIMHSA-N 0 3 323.481 2.035 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2onc3c2CCCC3)C1 ZINC001491939659 1147008851 /nfs/dbraw/zinc/00/88/51/1147008851.db2.gz UOJWCMLGNBAQJK-AWEZNQCLSA-N 0 3 315.417 2.113 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001366107825 1147058725 /nfs/dbraw/zinc/05/87/25/1147058725.db2.gz DRINMTLSENWVAU-UYUMYWFVSA-N 0 3 319.355 2.349 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001492128267 1147084977 /nfs/dbraw/zinc/08/49/77/1147084977.db2.gz OHWDMPJXNHGLMC-SNVBAGLBSA-N 0 3 321.812 2.117 20 30 DEEDHN C=C[C@H](CC)CC(=O)NC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001492134377 1147126344 /nfs/dbraw/zinc/12/63/44/1147126344.db2.gz LRYUKDWBNSVAHB-ZBFHGGJFSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001492209340 1147150038 /nfs/dbraw/zinc/15/00/38/1147150038.db2.gz MQQXFMGZXLXQOG-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN COc1ccc(CN[C@@H](C)CNC(=O)CC(C)C)cc1C#N ZINC001366249362 1147161940 /nfs/dbraw/zinc/16/19/40/1147161940.db2.gz PVZPMCIHWJLHHZ-ZDUSSCGKSA-N 0 3 303.406 2.207 20 30 DEEDHN CC(C)CO[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001366266445 1147182898 /nfs/dbraw/zinc/18/28/98/1147182898.db2.gz TUZQEZSJXQNJTG-STQMWFEESA-N 0 3 323.462 2.275 20 30 DEEDHN CO[C@@H](C)CCC(=O)NC[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001366266861 1147184101 /nfs/dbraw/zinc/18/41/01/1147184101.db2.gz UURFWJPXUKGWMU-STQMWFEESA-N 0 3 321.396 2.107 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)[C@H](OC)c1cccc(OC)c1 ZINC001492360340 1147228175 /nfs/dbraw/zinc/22/81/75/1147228175.db2.gz XFTCKXHAPJOKEO-MRXNPFEDSA-N 0 3 306.406 2.007 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1nn(C)c(C)c1Cl ZINC001366484746 1147305728 /nfs/dbraw/zinc/30/57/28/1147305728.db2.gz MLDFLRJINSFGDV-SECBINFHSA-N 0 3 319.236 2.232 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cccc2nccnc21 ZINC001366487853 1147307418 /nfs/dbraw/zinc/30/74/18/1147307418.db2.gz MICJBZNRNWRREJ-GFCCVEGCSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCC[C@H]1CCCN1CC(=C)Cl ZINC001317421176 1147373887 /nfs/dbraw/zinc/37/38/87/1147373887.db2.gz MHRISFYNJVKDLS-GOEBONIOSA-N 0 3 314.857 2.427 20 30 DEEDHN N#CC1(CCCCN(CCC(F)(F)F)C[C@H](O)CO)CCC1 ZINC001307565337 1147429386 /nfs/dbraw/zinc/42/93/86/1147429386.db2.gz LPQWAMSXIGIRQP-ZDUSSCGKSA-N 0 3 322.371 2.458 20 30 DEEDHN CCCCCCCS(=O)(=O)NC[C@H]1CN2CCC1CC2 ZINC001309942919 1147510851 /nfs/dbraw/zinc/51/08/51/1147510851.db2.gz IJLNKRSJWLKFFY-HNNXBMFYSA-N 0 3 302.484 2.218 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC1(OC(C)C)CCCCC1 ZINC001312235305 1147548812 /nfs/dbraw/zinc/54/88/12/1147548812.db2.gz XNFTYQYWYVXUNX-UHFFFAOYSA-N 0 3 323.481 2.369 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](NCc1scnc1C)C1CC1 ZINC001317011127 1147578948 /nfs/dbraw/zinc/57/89/48/1147578948.db2.gz FEBNQABWWAPDQT-CQSZACIVSA-N 0 3 305.447 2.239 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCCC[C@H](NCC(=O)NCC)C1 ZINC001316771722 1147596440 /nfs/dbraw/zinc/59/64/40/1147596440.db2.gz IFLQOXCEMWMZLN-MAUKXSAKSA-N 0 3 323.481 2.086 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001316849895 1147615625 /nfs/dbraw/zinc/61/56/25/1147615625.db2.gz QDHZOIKBXRTBMD-UHFFFAOYSA-N 0 3 316.430 2.213 20 30 DEEDHN COCC#CCN(CCCNC(=O)[C@H](C)C(C)(C)C)C1CC1 ZINC001316918023 1147631356 /nfs/dbraw/zinc/63/13/56/1147631356.db2.gz NQJXYDATMAMBCI-HNNXBMFYSA-N 0 3 308.466 2.289 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001317006569 1147647647 /nfs/dbraw/zinc/64/76/47/1147647647.db2.gz QNVRFIUGCUSGTD-FVQHAEBGSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1ccc(OC)nc1)C1CC1 ZINC001317025647 1147649504 /nfs/dbraw/zinc/64/95/04/1147649504.db2.gz KAYVFSMWTGWYOG-HNNXBMFYSA-N 0 3 317.433 2.287 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](NCc1n[nH]c(C(C)C)n1)C1CC1 ZINC001317026943 1147649825 /nfs/dbraw/zinc/64/98/25/1147649825.db2.gz OFDNFKXSPUUHDN-ZDUSSCGKSA-N 0 3 319.453 2.125 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cc(C)ccc2OC)C1 ZINC001317055106 1147653828 /nfs/dbraw/zinc/65/38/28/1147653828.db2.gz OXILDMKGVYNQQR-KRWDZBQOSA-N 0 3 314.429 2.498 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)Cc1sc(C)nc1C ZINC001317171769 1147670297 /nfs/dbraw/zinc/67/02/97/1147670297.db2.gz BCCPAHKWEWKHMS-OAHLLOKOSA-N 0 3 319.474 2.296 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC[C@H](F)CC)cn1 ZINC001317196426 1147674519 /nfs/dbraw/zinc/67/45/19/1147674519.db2.gz CCCUWPJBMZHBQE-WBVHZDCISA-N 0 3 317.408 2.395 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cncn1C ZINC001317195824 1147674609 /nfs/dbraw/zinc/67/46/09/1147674609.db2.gz UWJYZWBUKWYNAV-OAHLLOKOSA-N 0 3 318.465 2.493 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2)C1 ZINC001317204668 1147676030 /nfs/dbraw/zinc/67/60/30/1147676030.db2.gz CHIVYCDAOJNBMI-SJLPKXTDSA-N 0 3 314.429 2.167 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ccc(C)s2)C1 ZINC001317206415 1147677017 /nfs/dbraw/zinc/67/70/17/1147677017.db2.gz SRVWFZFIMYBNHD-GJZGRUSLSA-N 0 3 304.459 2.449 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCC(=O)N1CCCCCCC1 ZINC001317253155 1147682967 /nfs/dbraw/zinc/68/29/67/1147682967.db2.gz CIAUSZMPBHIRIF-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCC(=O)N1CCCCCC1 ZINC001317257270 1147683097 /nfs/dbraw/zinc/68/30/97/1147683097.db2.gz PLKRCPUQPQXQTR-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN COCC#CCN[C@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001317269399 1147684550 /nfs/dbraw/zinc/68/45/50/1147684550.db2.gz CUTLOAUQPUFHMC-DLBZAZTESA-N 0 3 316.445 2.314 20 30 DEEDHN C=CCCC[NH2+][C@@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001317273226 1147685105 /nfs/dbraw/zinc/68/51/05/1147685105.db2.gz YCBAZGLIVJKLFJ-LBPRGKRZSA-N 0 3 314.389 2.010 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)Cc1cccc(OC(C)C)c1 ZINC001317290345 1147686370 /nfs/dbraw/zinc/68/63/70/1147686370.db2.gz RENVPOHOGAQWPN-OAHLLOKOSA-N 0 3 302.418 2.134 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC001317384059 1147700016 /nfs/dbraw/zinc/70/00/16/1147700016.db2.gz RTTAZNNBDFSXIX-GFCCVEGCSA-N 0 3 302.340 2.275 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1ccnc(C2CC2)n1)C(C)C ZINC001367489599 1147701463 /nfs/dbraw/zinc/70/14/63/1147701463.db2.gz ZFXHDAJWEMCIMN-AWEZNQCLSA-N 0 3 322.840 2.451 20 30 DEEDHN C=CCOCCN(C)CCNC(=O)c1ccc2ncsc2c1 ZINC001317470072 1147713314 /nfs/dbraw/zinc/71/33/14/1147713314.db2.gz SYAWFJMXTXYZJS-UHFFFAOYSA-N 0 3 319.430 2.161 20 30 DEEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccc(CO)cc1 ZINC001317499894 1147716389 /nfs/dbraw/zinc/71/63/89/1147716389.db2.gz RCQPVFMKYHPZRJ-SFHVURJKSA-N 0 3 314.429 2.063 20 30 DEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001317515104 1147718555 /nfs/dbraw/zinc/71/85/55/1147718555.db2.gz GBBSDKDVJRVCQH-MRXNPFEDSA-N 0 3 319.449 2.039 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)COc2cccc(CC)c2)C1 ZINC001317534726 1147721717 /nfs/dbraw/zinc/72/17/17/1147721717.db2.gz KNTNLZIBKCWZPG-QGZVFWFLSA-N 0 3 314.429 2.089 20 30 DEEDHN C=C(C)CN(CCNC(=O)CCn1nc(C)cc1C)C1CC1 ZINC001317555125 1147724664 /nfs/dbraw/zinc/72/46/64/1147724664.db2.gz QALKQDBYRSCYQW-UHFFFAOYSA-N 0 3 304.438 2.047 20 30 DEEDHN C=CCN(CCNC(=O)c1c(C)nn(CCC)c1C)C1CC1 ZINC001317559385 1147725258 /nfs/dbraw/zinc/72/52/58/1147725258.db2.gz WIFXWOFULTUKJR-UHFFFAOYSA-N 0 3 304.438 2.290 20 30 DEEDHN C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccccc1[O-] ZINC001367720369 1147732472 /nfs/dbraw/zinc/73/24/72/1147732472.db2.gz GBBHWSXHLYOHFR-NSHDSACASA-N 0 3 315.398 2.233 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@H](C)NC(=O)C1=CCCC1 ZINC001367734460 1147734903 /nfs/dbraw/zinc/73/49/03/1147734903.db2.gz WGFUIGAKPUZHNT-ZDUSSCGKSA-N 0 3 313.401 2.271 20 30 DEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)[C@H]1CC12CC2 ZINC001317627491 1147735112 /nfs/dbraw/zinc/73/51/12/1147735112.db2.gz XYAUIPLBQCGAAX-CQSZACIVSA-N 0 3 301.365 2.045 20 30 DEEDHN CC(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(OCC#N)cc1 ZINC001367785640 1147744127 /nfs/dbraw/zinc/74/41/27/1147744127.db2.gz LUSHGJRLXHNKPG-AWEZNQCLSA-N 0 3 303.406 2.181 20 30 DEEDHN C=C(C)CN[C@@H](CNC(=O)CC1OCCCO1)c1ccccc1 ZINC001317719660 1147747217 /nfs/dbraw/zinc/74/72/17/1147747217.db2.gz ZNCSHGLEXOIGGC-INIZCTEOSA-N 0 3 318.417 2.163 20 30 DEEDHN C#CCCN[C@H](CNC(=O)C(C)(C)c1c[nH]cn1)c1ccccc1 ZINC001317727090 1147747771 /nfs/dbraw/zinc/74/77/71/1147747771.db2.gz JUIUGWGDYYIYSB-MRXNPFEDSA-N 0 3 324.428 2.158 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](CN(C)C[C@H](F)CC)C2)nc1 ZINC001317856652 1147758278 /nfs/dbraw/zinc/75/82/78/1147758278.db2.gz IFSHPADLEGLTDU-HZPDHXFCSA-N 0 3 317.408 2.205 20 30 DEEDHN C=CCC[C@H](C)N1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001318025140 1147766275 /nfs/dbraw/zinc/76/62/75/1147766275.db2.gz UATDMDARYWMKAZ-HNNXBMFYSA-N 0 3 307.482 2.406 20 30 DEEDHN Cc1cccc([C@H](C)N2CC(CNC(=O)CSCC#N)C2)c1 ZINC001318109031 1147773033 /nfs/dbraw/zinc/77/30/33/1147773033.db2.gz XDHPPLBLMUDWIF-AWEZNQCLSA-N 0 3 317.458 2.361 20 30 DEEDHN C#CCCN1CC(CNC(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001318175643 1147789143 /nfs/dbraw/zinc/78/91/43/1147789143.db2.gz CRFQUYQNIDBRDZ-HNNXBMFYSA-N 0 3 314.429 2.260 20 30 DEEDHN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1 ZINC001318202036 1147795834 /nfs/dbraw/zinc/79/58/34/1147795834.db2.gz YBFVPAAGZJWFRJ-SZMVWBNQSA-N 0 3 318.461 2.467 20 30 DEEDHN N#Cc1c[nH]c(C(=O)NCC2(NC/C=C/c3ccccc3)CC2)c1 ZINC001367990928 1147820442 /nfs/dbraw/zinc/82/04/42/1147820442.db2.gz LZJYGBLIQKSHOS-QPJJXVBHSA-N 0 3 320.396 2.452 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CCC(C)(F)F)C1 ZINC001318411319 1147822954 /nfs/dbraw/zinc/82/29/54/1147822954.db2.gz CGHISIQUZSCDSJ-CYBMUJFWSA-N 0 3 304.381 2.157 20 30 DEEDHN C[C@H]1CCc2nc(CNC3CCN(CC#N)CC3)sc2C1 ZINC001324642620 1147824596 /nfs/dbraw/zinc/82/45/96/1147824596.db2.gz OQJPJVZLKPAGJY-LBPRGKRZSA-N 0 3 304.463 2.345 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)CCCF)CC2)ccc1F ZINC001368023977 1147833584 /nfs/dbraw/zinc/83/35/84/1147833584.db2.gz SKFPZVBHFPCNNX-UHFFFAOYSA-N 0 3 307.344 2.185 20 30 DEEDHN C=CCN1CC[C@](O)(CNC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001325139075 1147879552 /nfs/dbraw/zinc/87/95/52/1147879552.db2.gz ZLPMEOAJAFQKEV-LPHOPBHVSA-N 0 3 316.445 2.228 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cc(C)n[nH]1)c1ccccc1CC ZINC001325363415 1147896489 /nfs/dbraw/zinc/89/64/89/1147896489.db2.gz RQIKIGUNLMBQCA-SFHVURJKSA-N 0 3 324.428 2.365 20 30 DEEDHN C=CCN[C@H](CNC(=O)Cc1cc[nH]n1)c1ccccc1CC ZINC001325362663 1147896560 /nfs/dbraw/zinc/89/65/60/1147896560.db2.gz ODDBEKSMSBHMRE-QGZVFWFLSA-N 0 3 312.417 2.148 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@@H](CNCc2ncc(Cl)n2C)C1 ZINC001325491307 1147927499 /nfs/dbraw/zinc/92/74/99/1147927499.db2.gz BZIXVZINWJHAGN-OLZOCXBDSA-N 0 3 324.856 2.224 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001325614787 1147963237 /nfs/dbraw/zinc/96/32/37/1147963237.db2.gz IELBTLUSBGLBSQ-IAGOWNOFSA-N 0 3 317.433 2.324 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ocnc1C1CC1 ZINC001325700608 1147985863 /nfs/dbraw/zinc/98/58/63/1147985863.db2.gz DTTRFWSHMPEITK-UHFFFAOYSA-N 0 3 323.396 2.417 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001325859457 1148009298 /nfs/dbraw/zinc/00/92/98/1148009298.db2.gz DPZZONOUODOICC-SFHVURJKSA-N 0 3 320.408 2.267 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001326236592 1148061999 /nfs/dbraw/zinc/06/19/99/1148061999.db2.gz BGOBZLANXVIUEW-KGLIPLIRSA-N 0 3 300.830 2.136 20 30 DEEDHN C=CC(C)(C)C(=O)NCC1(NCc2cnc(C)nc2)CCC1 ZINC001326864857 1148274662 /nfs/dbraw/zinc/27/46/62/1148274662.db2.gz PNBYFVPJCKHMKS-UHFFFAOYSA-N 0 3 302.422 2.126 20 30 DEEDHN COCC#CCN1CCC[C@H](NC(=O)c2ccsc2C)CC1 ZINC001327125619 1148331957 /nfs/dbraw/zinc/33/19/57/1148331957.db2.gz JOFIVJFHWDYSNW-HNNXBMFYSA-N 0 3 320.458 2.291 20 30 DEEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(C)c2C)CC1 ZINC000076526465 185019108 /nfs/dbraw/zinc/01/91/08/185019108.db2.gz KIKGXRMQRLUWHN-UHFFFAOYSA-N 0 3 315.417 2.009 20 30 DEEDHN C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272859926 210254439 /nfs/dbraw/zinc/25/44/39/210254439.db2.gz IDKXDCSUEHQCBL-AWEZNQCLSA-N 0 3 312.417 2.350 20 30 DEEDHN CC[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccn(C)n1 ZINC000612571070 361863533 /nfs/dbraw/zinc/86/35/33/361863533.db2.gz QSWRAJXFTIPGFY-MRXNPFEDSA-N 0 3 324.432 2.396 20 30 DEEDHN CC[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C#N)cc1 ZINC000278730971 214360645 /nfs/dbraw/zinc/36/06/45/214360645.db2.gz MUKIIPLQDQJKRN-CVEARBPZSA-N 0 3 321.446 2.023 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000352574411 404467317 /nfs/dbraw/zinc/46/73/17/404467317.db2.gz GXRHFYBGIUOOKE-CQSZACIVSA-N 0 3 323.462 2.265 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)CCOCC1CC1 ZINC000088599073 185259177 /nfs/dbraw/zinc/25/91/77/185259177.db2.gz JHAFHENQVGQVRZ-UHFFFAOYSA-N 0 3 304.390 2.304 20 30 DEEDHN C[C@@H]1CN(CC2CCN(Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000092587207 185327313 /nfs/dbraw/zinc/32/73/13/185327313.db2.gz ZXXXZXCDQRYKPT-GASCZTMLSA-N 0 3 317.433 2.472 20 30 DEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000410595708 529800137 /nfs/dbraw/zinc/80/01/37/529800137.db2.gz XRGROHMVAYTLKU-TZMCWYRMSA-N 0 3 318.808 2.163 20 30 DEEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000286656961 219107409 /nfs/dbraw/zinc/10/74/09/219107409.db2.gz ZROPYIBUTTXEMQ-INIZCTEOSA-N 0 3 315.417 2.448 20 30 DEEDHN COCCNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000614478972 362393230 /nfs/dbraw/zinc/39/32/30/362393230.db2.gz KGTOUOLRSWINAZ-CQSZACIVSA-N 0 3 315.417 2.094 20 30 DEEDHN O=C(NC1CCN(C2CC2)CC1)N1CCC(c2ncc[nH]2)CC1 ZINC000328696040 539910090 /nfs/dbraw/zinc/91/00/90/539910090.db2.gz KQLYLRBKKFUKBX-UHFFFAOYSA-N 0 3 317.437 2.130 20 30 DEEDHN C=CCCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000617617688 363203929 /nfs/dbraw/zinc/20/39/29/363203929.db2.gz QFPNCQINQLLYPC-UHFFFAOYSA-N 0 3 312.417 2.418 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000046528675 354285939 /nfs/dbraw/zinc/28/59/39/354285939.db2.gz UXVDTDXERPTHOV-SFHVURJKSA-N 0 3 321.380 2.302 20 30 DEEDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000047011814 354301632 /nfs/dbraw/zinc/30/16/32/354301632.db2.gz MRSIWUQRLNRHHO-UHFFFAOYSA-N 0 3 322.412 2.466 20 30 DEEDHN C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)N1CCCC1 ZINC000048128366 354342865 /nfs/dbraw/zinc/34/28/65/354342865.db2.gz DOEHVMNCQXVLIE-AWEZNQCLSA-N 0 3 317.458 2.392 20 30 DEEDHN Cc1cc(C(C#N)C(=O)c2cccc(NC(N)=O)c2)nc(C)n1 ZINC000049405038 354360455 /nfs/dbraw/zinc/36/04/55/354360455.db2.gz BCNZYUCBQRMKSB-ZDUSSCGKSA-N 0 3 309.329 2.074 20 30 DEEDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000055298151 354491992 /nfs/dbraw/zinc/49/19/92/354491992.db2.gz ZDGUGPIQHFYJDA-UHFFFAOYSA-N 0 3 321.446 2.053 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000055935574 354516933 /nfs/dbraw/zinc/51/69/33/354516933.db2.gz STKANFDVFGIDKH-GOSISDBHSA-N 0 3 322.497 2.095 20 30 DEEDHN C[C@H](CNC(=O)NCC#Cc1ccccc1)N1CCC(C)CC1 ZINC000065477144 354684298 /nfs/dbraw/zinc/68/42/98/354684298.db2.gz MJTYMGQQXCCHBC-QGZVFWFLSA-N 0 3 313.445 2.458 20 30 DEEDHN CCN(CC#N)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068231685 354804180 /nfs/dbraw/zinc/80/41/80/354804180.db2.gz JBXCHFUJWVBMMS-OAHLLOKOSA-N 0 3 303.381 2.410 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@](C)(O)COC)ccc1OC ZINC000069912664 354880734 /nfs/dbraw/zinc/88/07/34/354880734.db2.gz FLTZFOBNFLPGIN-QGZVFWFLSA-N 0 3 309.406 2.137 20 30 DEEDHN C=CCN(Cc1ccccc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000075673211 355100649 /nfs/dbraw/zinc/10/06/49/355100649.db2.gz SMSZBBJEJOJPRH-ROUUACIJSA-N 0 3 305.418 2.231 20 30 DEEDHN C=CCN1CCC(NC(=O)c2ccc(NC(C)C)nc2)CC1 ZINC000084389674 355478582 /nfs/dbraw/zinc/47/85/82/355478582.db2.gz CBRAGBZASXRVRA-UHFFFAOYSA-N 0 3 302.422 2.282 20 30 DEEDHN N#Cc1ccc(CNC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000089799463 355543451 /nfs/dbraw/zinc/54/34/51/355543451.db2.gz HMYPWZJUGGAYJK-UXHICEINSA-N 0 3 321.424 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000090554043 355563400 /nfs/dbraw/zinc/56/34/00/355563400.db2.gz VLVFKNSYAPTVFT-AWEZNQCLSA-N 0 3 318.392 2.143 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2csc(C)n2)CC1 ZINC000106262547 355722652 /nfs/dbraw/zinc/72/26/52/355722652.db2.gz AQCUEGFZTSKAKE-UHFFFAOYSA-N 0 3 308.451 2.291 20 30 DEEDHN COC(=O)[C@@H](C)CN(CCOc1ccccc1C#N)C1CC1 ZINC000171298005 355999348 /nfs/dbraw/zinc/99/93/48/355999348.db2.gz LHMMKJITNJUFBC-ZDUSSCGKSA-N 0 3 302.374 2.211 20 30 DEEDHN CC[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CCS1 ZINC000157522853 355955265 /nfs/dbraw/zinc/95/52/65/355955265.db2.gz BXXPICBBERQFEQ-GJZGRUSLSA-N 0 3 306.431 2.125 20 30 DEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000180895902 356064618 /nfs/dbraw/zinc/06/46/18/356064618.db2.gz MFFINLXDDCTOBP-DLBZAZTESA-N 0 3 324.513 2.304 20 30 DEEDHN C=CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182245739 356117189 /nfs/dbraw/zinc/11/71/89/356117189.db2.gz SAVRBONNPBLWEH-AWEZNQCLSA-N 0 3 306.362 2.233 20 30 DEEDHN CC[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000182326655 356121803 /nfs/dbraw/zinc/12/18/03/356121803.db2.gz NKJBRIXNVNGNNU-IRXDYDNUSA-N 0 3 315.417 2.480 20 30 DEEDHN N#CC[C@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000595610237 358500492 /nfs/dbraw/zinc/50/04/92/358500492.db2.gz UKPNAZAVOJUUEZ-ZBFHGGJFSA-N 0 3 306.381 2.329 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000182837883 356148625 /nfs/dbraw/zinc/14/86/25/356148625.db2.gz UBLFUECHPYQWHS-HNNXBMFYSA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCOC1)C(C)C ZINC000193966063 356232231 /nfs/dbraw/zinc/23/22/31/356232231.db2.gz SZTDVDRJFQKEIL-SJORKVTESA-N 0 3 323.481 2.411 20 30 DEEDHN CCN(C(=O)NC[C@@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184652696 356195297 /nfs/dbraw/zinc/19/52/97/356195297.db2.gz FNTXLZNGTPTQCP-RDJZCZTQSA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCN(CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)COC ZINC000595638519 358508800 /nfs/dbraw/zinc/50/88/00/358508800.db2.gz HRYCAEXORUUDMQ-CQSZACIVSA-N 0 3 301.390 2.410 20 30 DEEDHN C=CCOc1cccnc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000578509693 356828493 /nfs/dbraw/zinc/82/84/93/356828493.db2.gz AVFWMUOLZHVNJY-AWEZNQCLSA-N 0 3 317.433 2.449 20 30 DEEDHN CC1CCN(CCNC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000578762625 356869254 /nfs/dbraw/zinc/86/92/54/356869254.db2.gz YVBDETYBGFQMQO-UHFFFAOYSA-N 0 3 306.454 2.444 20 30 DEEDHN CN(C)CCOc1ccccc1CNC[C@H](C#N)CCC#N ZINC000578639621 356849076 /nfs/dbraw/zinc/84/90/76/356849076.db2.gz AIEMDHOLASXYEI-HNNXBMFYSA-N 0 3 300.406 2.160 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348521133 283227877 /nfs/dbraw/zinc/22/78/77/283227877.db2.gz NLJWFWNMSMNCFN-NXEZZACHSA-N 0 3 315.345 2.308 20 30 DEEDHN C[C@H](NC(=O)NCc1ccc(C#N)s1)C1=CCN(C)CC1 ZINC000579942334 357054876 /nfs/dbraw/zinc/05/48/76/357054876.db2.gz CJYODQVJMGCJLU-NSHDSACASA-N 0 3 304.419 2.069 20 30 DEEDHN Cc1cc(C#N)cc(NC(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000590859066 357628147 /nfs/dbraw/zinc/62/81/47/357628147.db2.gz UWHPGFRVTZDAGI-UHFFFAOYSA-N 0 3 312.377 2.269 20 30 DEEDHN CCN1CC[C@H](N(C)S(=O)(=O)CC(C)(C)CC#N)C[C@H]1C ZINC000590747943 357599103 /nfs/dbraw/zinc/59/91/03/357599103.db2.gz KQYAAQNMWWWVLL-KGLIPLIRSA-N 0 3 315.483 2.061 20 30 DEEDHN C[C@H]1NCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC000591358167 357713431 /nfs/dbraw/zinc/71/34/31/357713431.db2.gz QFXYALFTDYZUSD-GHMZBOCLSA-N 0 3 306.797 2.103 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000591241191 357694171 /nfs/dbraw/zinc/69/41/71/357694171.db2.gz LGBOHLZTHHPSPC-DZGCQCFKSA-N 0 3 323.437 2.159 20 30 DEEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCSc2ccc(F)cc21 ZINC000591241194 357694393 /nfs/dbraw/zinc/69/43/93/357694393.db2.gz LGBOHLZTHHPSPC-HIFRSBDPSA-N 0 3 323.437 2.159 20 30 DEEDHN Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@@]3(C#N)CCNC3)C2)c1 ZINC000591640949 357747436 /nfs/dbraw/zinc/74/74/36/357747436.db2.gz UVDAYJXNCHEUDY-SJORKVTESA-N 0 3 319.355 2.035 20 30 DEEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)n1 ZINC000591860448 357769857 /nfs/dbraw/zinc/76/98/57/357769857.db2.gz XCLNJIWQLRVOJU-MRXNPFEDSA-N 0 3 320.396 2.476 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866529 357771025 /nfs/dbraw/zinc/77/10/25/357771025.db2.gz BMNGDPSLBPIFBC-HZPDHXFCSA-N 0 3 304.438 2.333 20 30 DEEDHN CCCN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000591911853 357792651 /nfs/dbraw/zinc/79/26/51/357792651.db2.gz WMWBHAOHJFQKMF-MRXNPFEDSA-N 0 3 300.406 2.184 20 30 DEEDHN N#CC1(CCCN2CCN3CC(F)(F)C[C@H]3C2)CCOCC1 ZINC000592130938 357836234 /nfs/dbraw/zinc/83/62/34/357836234.db2.gz NHAGQLHFEWJHII-AWEZNQCLSA-N 0 3 313.392 2.112 20 30 DEEDHN N#CC[C@@]1(O)CCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000592152231 357841938 /nfs/dbraw/zinc/84/19/38/357841938.db2.gz VOHDEEFYQPIOBW-OAHLLOKOSA-N 0 3 307.781 2.019 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)O2)CC1 ZINC000660598368 540310227 /nfs/dbraw/zinc/31/02/27/540310227.db2.gz XMFZCSBHVJKNBL-ZBFHGGJFSA-N 0 3 309.454 2.284 20 30 DEEDHN CCC1(CC)[C@H](NCc2cnc3c(C#N)cnn3c2)C[C@H]1OC ZINC000592503895 357889143 /nfs/dbraw/zinc/88/91/43/357889143.db2.gz IZEMURPAKBTMRG-HUUCEWRRSA-N 0 3 313.405 2.284 20 30 DEEDHN CC[C@H](C#N)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000593571300 358104729 /nfs/dbraw/zinc/10/47/29/358104729.db2.gz CYISVDFPTBWALU-RHSMWYFYSA-N 0 3 315.417 2.498 20 30 DEEDHN CCOC(=O)[C@](C)(CNC(=O)C(C#N)CC)c1ccccc1 ZINC000593642300 358116388 /nfs/dbraw/zinc/11/63/88/358116388.db2.gz FEHKFFGAOZZGLX-SUMWQHHRSA-N 0 3 302.374 2.173 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000594286387 358238446 /nfs/dbraw/zinc/23/84/46/358238446.db2.gz YDNFTMDIGXZBJI-RDTXWAMCSA-N 0 3 311.429 2.337 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1cocn1)C(C)C ZINC000594288862 358239320 /nfs/dbraw/zinc/23/93/20/358239320.db2.gz ZBXLADSQPPZQBG-HNNXBMFYSA-N 0 3 306.410 2.172 20 30 DEEDHN Cc1ccccc1O[C@H](C)CNC(=O)[C@H](N)CCCCC#N ZINC000594432669 358268864 /nfs/dbraw/zinc/26/88/64/358268864.db2.gz FWOOBCVZIKGILO-HUUCEWRRSA-N 0 3 303.406 2.290 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618811504 363609370 /nfs/dbraw/zinc/60/93/70/363609370.db2.gz WWAXEWVBMOKXTR-GOSISDBHSA-N 0 3 324.428 2.495 20 30 DEEDHN C=CCN(CC(=O)NC1(C(=O)OC)CCCCC1)C(C)(C)C ZINC000595765129 358543843 /nfs/dbraw/zinc/54/38/43/358543843.db2.gz HJPPSSQFGSEGQN-UHFFFAOYSA-N 0 3 310.438 2.265 20 30 DEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788291 358549544 /nfs/dbraw/zinc/54/95/44/358549544.db2.gz IKJUEGUNWYKBPL-BZUAXINKSA-N 0 3 307.438 2.028 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595789814 358550430 /nfs/dbraw/zinc/55/04/30/358550430.db2.gz OQXHADSKMNOHGD-IXDOHACOSA-N 0 3 321.465 2.276 20 30 DEEDHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](N)CCCC#N)CC3 ZINC000595970783 358587949 /nfs/dbraw/zinc/58/79/49/358587949.db2.gz NRGPWRVQMPADNO-HNNXBMFYSA-N 0 3 310.401 2.382 20 30 DEEDHN N#Cc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c[nH]1 ZINC000181193575 199263900 /nfs/dbraw/zinc/26/39/00/199263900.db2.gz QIAQFVIXBJIADU-KRWDZBQOSA-N 0 3 308.385 2.453 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)[C@@H]2C1 ZINC000597484677 358930075 /nfs/dbraw/zinc/93/00/75/358930075.db2.gz PVJDJMKRBKJVAL-ZUZCIYMTSA-N 0 3 305.328 2.003 20 30 DEEDHN CC(C)(C)N1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000597921870 359041837 /nfs/dbraw/zinc/04/18/37/359041837.db2.gz HDCBYGPOARGUEA-CYBMUJFWSA-N 0 3 303.381 2.229 20 30 DEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC000598195585 359120405 /nfs/dbraw/zinc/12/04/05/359120405.db2.gz OWMIOPKESFPYMV-INIZCTEOSA-N 0 3 317.458 2.019 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCCN(c2ccccc2)CC1 ZINC000598585283 359250479 /nfs/dbraw/zinc/25/04/79/359250479.db2.gz BSWOLQVGLXNUSS-QGZVFWFLSA-N 0 3 301.434 2.499 20 30 DEEDHN CN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000598591044 359253727 /nfs/dbraw/zinc/25/37/27/359253727.db2.gz YNVLPZUKVHLQGT-KBPBESRZSA-N 0 3 304.390 2.059 20 30 DEEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000598603176 359257593 /nfs/dbraw/zinc/25/75/93/359257593.db2.gz YIYJXXWOZIIKMS-UPBLURMWSA-N 0 3 308.447 2.375 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000667361939 540442528 /nfs/dbraw/zinc/44/25/28/540442528.db2.gz SXUZDFDDVQJXRJ-AEFFLSMTSA-N 0 3 302.418 2.094 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618986327 363657486 /nfs/dbraw/zinc/65/74/86/363657486.db2.gz YFBKHYHDPVPEOL-OAHLLOKOSA-N 0 3 317.433 2.497 20 30 DEEDHN CCc1nnc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000428077989 237078888 /nfs/dbraw/zinc/07/88/88/237078888.db2.gz QGIYVVSRJJALCM-CYBMUJFWSA-N 0 3 314.414 2.489 20 30 DEEDHN N#CCc1cccc2c1CCN(C[C@H]1CNc3ccnn3C1)C2 ZINC000600213515 359691849 /nfs/dbraw/zinc/69/18/49/359691849.db2.gz VNJZLWPCCMHHAQ-CQSZACIVSA-N 0 3 307.401 2.049 20 30 DEEDHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1cccc(C#N)c1 ZINC000429295134 237378317 /nfs/dbraw/zinc/37/83/17/237378317.db2.gz AOITZSVXIOQEQU-BLLLJJGKSA-N 0 3 321.380 2.348 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC000668370162 540655575 /nfs/dbraw/zinc/65/55/75/540655575.db2.gz PEJBMTYVUCUKEI-UHFFFAOYSA-N 0 3 303.406 2.120 20 30 DEEDHN Cc1cc(CNC[C@@H](O)COc2ccccc2C#N)cc(C)n1 ZINC000600734923 359815406 /nfs/dbraw/zinc/81/54/06/359815406.db2.gz HBZOJRRAUOUAHE-QGZVFWFLSA-N 0 3 311.385 2.100 20 30 DEEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccccc1CC#N ZINC000601416741 360035378 /nfs/dbraw/zinc/03/53/78/360035378.db2.gz WZQVBBUKQJKPTO-AWEZNQCLSA-N 0 3 323.462 2.151 20 30 DEEDHN Cc1cc(N2CCC(NCc3cccc(C#N)n3)CC2)nc(C)n1 ZINC000602586407 360445518 /nfs/dbraw/zinc/44/55/18/360445518.db2.gz BKWQZXJBHGTUBK-UHFFFAOYSA-N 0 3 322.416 2.119 20 30 DEEDHN N#Cc1cccc(CNC2CCN(Cc3ccncc3)CC2)n1 ZINC000602522055 360416466 /nfs/dbraw/zinc/41/64/66/360416466.db2.gz VCRVHFNUVRRDNA-UHFFFAOYSA-N 0 3 307.401 2.102 20 30 DEEDHN C=CCN(CCc1ccco1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602800276 360560582 /nfs/dbraw/zinc/56/05/82/360560582.db2.gz GXZOBYVVRJBFRY-UHFFFAOYSA-N 0 3 304.350 2.423 20 30 DEEDHN N#C[C@@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000442797367 238078610 /nfs/dbraw/zinc/07/86/10/238078610.db2.gz WSYPSVPDFACSOQ-HIFRSBDPSA-N 0 3 313.401 2.279 20 30 DEEDHN C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1=CCN(C)CC1 ZINC000603076363 360690687 /nfs/dbraw/zinc/69/06/87/360690687.db2.gz RYSTYFBRKRQRSW-NSHDSACASA-N 0 3 302.353 2.469 20 30 DEEDHN N#CCc1ccc(Cn2cc(CCN3CCCCC3)nn2)cc1 ZINC000603222875 360753638 /nfs/dbraw/zinc/75/36/38/360753638.db2.gz PCICBZSLVDJTNL-UHFFFAOYSA-N 0 3 309.417 2.421 20 30 DEEDHN CC(C)[C@@H]1CN(c2cc(C#N)c(Br)cn2)CCN1C ZINC000603357538 360805048 /nfs/dbraw/zinc/80/50/48/360805048.db2.gz DLZSBVMNTJOFDD-ZDUSSCGKSA-N 0 3 323.238 2.492 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCCN1C)C(C)C ZINC000606371266 361000223 /nfs/dbraw/zinc/00/02/23/361000223.db2.gz FZSGXOJGHJRDME-IRXDYDNUSA-N 0 3 307.482 2.286 20 30 DEEDHN CN(C)c1cc(C#N)cc(C(=O)NCCN2CCCCCC2)c1 ZINC000292752250 223229132 /nfs/dbraw/zinc/22/91/32/223229132.db2.gz JWLQSRLJCWNIBX-UHFFFAOYSA-N 0 3 314.433 2.230 20 30 DEEDHN C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCC#N ZINC000609156903 361285824 /nfs/dbraw/zinc/28/58/24/361285824.db2.gz MAWSFCIPLIBVOV-CQSZACIVSA-N 0 3 301.390 2.193 20 30 DEEDHN CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000609383729 361308283 /nfs/dbraw/zinc/30/82/83/361308283.db2.gz VQSHSSSTCZENOV-UHFFFAOYSA-N 0 3 303.366 2.172 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000609399208 361309341 /nfs/dbraw/zinc/30/93/41/361309341.db2.gz NTHYJDAGHOPROY-SUMWQHHRSA-N 0 3 312.417 2.403 20 30 DEEDHN COCCNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822900 361340678 /nfs/dbraw/zinc/34/06/78/361340678.db2.gz QHXVRYLGGQNSJA-CQSZACIVSA-N 0 3 315.417 2.094 20 30 DEEDHN CCN(C[C@H]1CCOC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000611205186 361548706 /nfs/dbraw/zinc/54/87/06/361548706.db2.gz LVNYBUAHJWGOKQ-OCCSQVGLSA-N 0 3 319.430 2.083 20 30 DEEDHN COC[C@@H](NC1CCN(CC#N)CC1)c1ccc(F)c(F)c1 ZINC000611392636 361589276 /nfs/dbraw/zinc/58/92/76/361589276.db2.gz ADUUXLIBGPHZLU-MRXNPFEDSA-N 0 3 309.360 2.230 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCC(=O)NCC(F)(F)F ZINC000611392517 361589372 /nfs/dbraw/zinc/58/93/72/361589372.db2.gz RUUGBNUMKVLDAA-ZDUSSCGKSA-N 0 3 311.307 2.204 20 30 DEEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000611551921 361628222 /nfs/dbraw/zinc/62/82/22/361628222.db2.gz XJAWONAYVKSTQA-WMLDXEAASA-N 0 3 303.381 2.044 20 30 DEEDHN CO/N=C/C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000283020019 283705422 /nfs/dbraw/zinc/70/54/22/283705422.db2.gz LWTWNEZRPUHRHZ-HUCUOGIVSA-N 0 3 303.406 2.208 20 30 DEEDHN CC(C)N(CCNS(=O)(=O)c1ccccc1CC#N)C(C)C ZINC000619572229 363829279 /nfs/dbraw/zinc/82/92/79/363829279.db2.gz SPFYGUGQIMVVPS-UHFFFAOYSA-N 0 3 323.462 2.150 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]c(C)nc1C)C(C)C ZINC000621534772 364442596 /nfs/dbraw/zinc/44/25/96/364442596.db2.gz NMFDTDZOTVTXDD-HNNXBMFYSA-N 0 3 304.438 2.455 20 30 DEEDHN C=CCCOCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675578246 541358150 /nfs/dbraw/zinc/35/81/50/541358150.db2.gz PQGBFBLGVTWQRF-KRWDZBQOSA-N 0 3 302.418 2.312 20 30 DEEDHN C=CCN1CCC(NC(=O)COCc2ccc(C)cc2)CC1 ZINC000621858827 364562859 /nfs/dbraw/zinc/56/28/59/364562859.db2.gz GRGPQJYWXKKSLX-UHFFFAOYSA-N 0 3 302.418 2.278 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(CCOC)C1)c1ccccc1 ZINC000275414967 212319451 /nfs/dbraw/zinc/31/94/51/212319451.db2.gz ZEKRTBSFABDVSB-DLBZAZTESA-N 0 3 302.418 2.183 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC000623192237 364912489 /nfs/dbraw/zinc/91/24/89/364912489.db2.gz NTNUFETZZKNTPR-CZUORRHYSA-N 0 3 316.449 2.232 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000450635505 242044522 /nfs/dbraw/zinc/04/45/22/242044522.db2.gz KGBVLUVEKXBHPY-UGSOOPFHSA-N 0 3 322.412 2.445 20 30 DEEDHN Cc1c(Cl)cnc(N[C@H]2CCCN(CCCO)C2)c1C#N ZINC000450606911 242007681 /nfs/dbraw/zinc/00/76/81/242007681.db2.gz AEPSKBJVKPSLHT-LBPRGKRZSA-N 0 3 308.813 2.174 20 30 DEEDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000275274201 212240795 /nfs/dbraw/zinc/24/07/95/212240795.db2.gz VHGXJCNDDYZGLU-KGLIPLIRSA-N 0 3 305.378 2.254 20 30 DEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000451492177 243028418 /nfs/dbraw/zinc/02/84/18/243028418.db2.gz CJQVAWKYGVLAIB-IUIKQTSFSA-N 0 3 301.390 2.146 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000451492180 243029970 /nfs/dbraw/zinc/02/99/70/243029970.db2.gz CJQVAWKYGVLAIB-XFBWCDHKSA-N 0 3 301.390 2.146 20 30 DEEDHN C=CCC[C@H](O)CN(CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451714838 243347780 /nfs/dbraw/zinc/34/77/80/243347780.db2.gz QCUGMCPZHIHKNY-GOEBONIOSA-N 0 3 318.417 2.015 20 30 DEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452342861 244179707 /nfs/dbraw/zinc/17/97/07/244179707.db2.gz JCKLXJQYPAPUSH-HNNXBMFYSA-N 0 3 302.422 2.435 20 30 DEEDHN C=CCc1cc(CN2CCC[C@H](CC(N)=O)C2)cc(OC)c1O ZINC000093808716 193309673 /nfs/dbraw/zinc/30/96/73/193309673.db2.gz PPXXBMXMFUMBMO-CYBMUJFWSA-N 0 3 318.417 2.217 20 30 DEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN(C)C1CC1 ZINC000264851411 204208876 /nfs/dbraw/zinc/20/88/76/204208876.db2.gz LRGNRRDCTLAKPU-UHFFFAOYSA-N 0 3 317.433 2.487 20 30 DEEDHN CC[C@H]1CN(c2cc(Cl)ccc2C#N)CCN1C[C@@H](C)O ZINC000266435814 205344926 /nfs/dbraw/zinc/34/49/26/205344926.db2.gz VERAIRJYVIOOJS-DOMZBBRYSA-N 0 3 307.825 2.493 20 30 DEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)CNc1cccc(C#N)c1 ZINC000154993003 291598828 /nfs/dbraw/zinc/59/88/28/291598828.db2.gz BLYGEAZLRAHPGW-INIZCTEOSA-N 0 3 302.422 2.063 20 30 DEEDHN COc1cccnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456907427 247495839 /nfs/dbraw/zinc/49/58/39/247495839.db2.gz PGCMRTHOTUZECM-OAHLLOKOSA-N 0 3 309.369 2.479 20 30 DEEDHN CN(C)C/C=C/C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000267871969 206312384 /nfs/dbraw/zinc/31/23/84/206312384.db2.gz KKQIDMFNHQCNQR-GQCTYLIASA-N 0 3 310.319 2.291 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](OC)C1)C(C)C ZINC000267900615 206325637 /nfs/dbraw/zinc/32/56/37/206325637.db2.gz WBZPIUWPBINRAF-JKSUJKDBSA-N 0 3 309.454 2.115 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC001354330121 1151886855 /nfs/dbraw/zinc/88/68/55/1151886855.db2.gz HCFBRVIMOQCMNF-UTUOFQBUSA-N 0 3 308.344 2.238 20 30 DEEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458265757 248240331 /nfs/dbraw/zinc/24/03/31/248240331.db2.gz BJBSEGKTOJHJNE-BDJLRTHQSA-N 0 3 305.353 2.254 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC)C[C@@H]2CC)CC1 ZINC000458314580 248259828 /nfs/dbraw/zinc/25/98/28/248259828.db2.gz FAWFCZZWZVBXFB-KRWDZBQOSA-N 0 3 322.497 2.153 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2COCC)CC1 ZINC000458319356 248261491 /nfs/dbraw/zinc/26/14/91/248261491.db2.gz GBXGUPMSBNFVJW-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000459121991 248583961 /nfs/dbraw/zinc/58/39/61/248583961.db2.gz ODLBBYUMPGCOJS-HNNXBMFYSA-N 0 3 318.396 2.321 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\[C@H]1CCOC1)C(C)C ZINC000492961911 249182710 /nfs/dbraw/zinc/18/27/10/249182710.db2.gz OWEVZOXQSNWGFP-PRJTXATQSA-N 0 3 306.450 2.394 20 30 DEEDHN CC(C#N)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000493628241 249345431 /nfs/dbraw/zinc/34/54/31/249345431.db2.gz GNLQZVMXRPRUQR-FRRDWIJNSA-N 0 3 309.410 2.298 20 30 DEEDHN Cc1sc(NC(=O)CN[C@H](CCO)C(C)C)c(C#N)c1C ZINC000274092053 211347736 /nfs/dbraw/zinc/34/77/36/211347736.db2.gz UCLZCUMYTLLOBC-CYBMUJFWSA-N 0 3 309.435 2.172 20 30 DEEDHN CCOC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963206 194058077 /nfs/dbraw/zinc/05/80/77/194058077.db2.gz XQCOBBRJKVSZBG-UHFFFAOYSA-N 0 3 302.374 2.355 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3cccnc3C#N)CC2)C[C@H](C)O1 ZINC000273926384 211182213 /nfs/dbraw/zinc/18/22/13/211182213.db2.gz BUWZSELNZQWMIZ-GASCZTMLSA-N 0 3 314.433 2.279 20 30 DEEDHN C=C(C)COc1cc(CNC[C@H]2CN(C)CCO2)ccc1OC ZINC000105471194 194106600 /nfs/dbraw/zinc/10/66/00/194106600.db2.gz YCHXHZANQFDECS-INIZCTEOSA-N 0 3 320.433 2.070 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000106037704 194180652 /nfs/dbraw/zinc/18/06/52/194180652.db2.gz IMEOYXLQQPWOQT-QFIPXVFZSA-N 0 3 320.458 2.194 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000106039724 194180866 /nfs/dbraw/zinc/18/08/66/194180866.db2.gz ZQRNJBBFLFJSHW-UHFFFAOYSA-N 0 3 302.374 2.186 20 30 DEEDHN N#CC1(C(=O)NCC2(N3CCCCC3)CCOCC2)CCCC1 ZINC000110030092 194304382 /nfs/dbraw/zinc/30/43/82/194304382.db2.gz OSRSNQMPYSIDSL-UHFFFAOYSA-N 0 3 319.449 2.222 20 30 DEEDHN C=CCCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268868384 207038920 /nfs/dbraw/zinc/03/89/20/207038920.db2.gz OOHHPSKAROPFJT-NVXWUHKLSA-N 0 3 322.474 2.393 20 30 DEEDHN C=C(C)COc1cc(CNCCNC(=O)C2CC2)ccc1OC ZINC000057959203 184064123 /nfs/dbraw/zinc/06/41/23/184064123.db2.gz XULHTJZPKZBCJV-UHFFFAOYSA-N 0 3 318.417 2.266 20 30 DEEDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)[C@@H]2C1 ZINC000537611814 285006846 /nfs/dbraw/zinc/00/68/46/285006846.db2.gz 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/nfs/dbraw/zinc/15/02/36/533150236.db2.gz LKFLLURNLFZFEI-HOTGVXAUSA-N 0 3 322.449 2.404 20 30 DEEDHN C[C@](CO)(NCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000156228869 197097225 /nfs/dbraw/zinc/09/72/25/197097225.db2.gz LQTKGYAVTYHZRW-GOSISDBHSA-N 0 3 315.417 2.418 20 30 DEEDHN Fc1ccc(C#CCN2CCC(CN3CCOCC3)CC2)cc1 ZINC000156193895 197094053 /nfs/dbraw/zinc/09/40/53/197094053.db2.gz DRRFQENKABPXFZ-UHFFFAOYSA-N 0 3 316.420 2.221 20 30 DEEDHN COC(=O)c1cccc(CN[C@@H](C)[C@@H]2CCCOC2)c1C#N ZINC000542577691 285234816 /nfs/dbraw/zinc/23/48/16/285234816.db2.gz QWAOZKYTHQVJQB-GXTWGEPZSA-N 0 3 302.374 2.250 20 30 DEEDHN COC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000543454056 285288693 /nfs/dbraw/zinc/28/86/93/285288693.db2.gz HPMDOXIDEIWKPR-CYBMUJFWSA-N 0 3 309.435 2.436 20 30 DEEDHN C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C ZINC000289997249 221368719 /nfs/dbraw/zinc/36/87/19/221368719.db2.gz RLFRRXUSSJWXNA-UMVBOHGHSA-N 0 3 321.446 2.141 20 30 DEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C#N)s1 ZINC000422213104 533390496 /nfs/dbraw/zinc/39/04/96/533390496.db2.gz FPTABBKLZRZYDY-LBPRGKRZSA-N 0 3 320.462 2.491 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000685608138 542743298 /nfs/dbraw/zinc/74/32/98/542743298.db2.gz NEQJBTPFZTVNKF-IBGZPJMESA-N 0 3 316.445 2.356 20 30 DEEDHN CC[C@H](C)C[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000562996599 292022925 /nfs/dbraw/zinc/02/29/25/292022925.db2.gz RCNULTHZGNTOKC-QWHCGFSZSA-N 0 3 309.435 2.141 20 30 DEEDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000564734988 292108135 /nfs/dbraw/zinc/10/81/35/292108135.db2.gz HYGFPHTUJGCOPE-LJQANCHMSA-N 0 3 321.380 2.270 20 30 DEEDHN N#Cc1cccc(OCCN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247345594 145134199 /nfs/dbraw/zinc/13/41/99/145134199.db2.gz XUDPXCRVGCWGCC-HZPDHXFCSA-N 0 3 304.415 2.143 20 30 DEEDHN CC(C)(C)CC[C@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000342856481 145687334 /nfs/dbraw/zinc/68/73/34/145687334.db2.gz YYBCFKONWQEQSJ-CQSZACIVSA-N 0 3 300.406 2.483 20 30 DEEDHN C[C@H](NC(C)(C)CNS(=O)(=O)CCCC#N)c1ccccc1 ZINC000111339480 401711958 /nfs/dbraw/zinc/71/19/58/401711958.db2.gz ZMSVCZSZCRMHJB-AWEZNQCLSA-N 0 3 323.462 2.339 20 30 DEEDHN C=CCNc1ncc(C(=O)N2CCC[C@@H](N3CCCC3)C2)s1 ZINC000126913284 401713283 /nfs/dbraw/zinc/71/32/83/401713283.db2.gz QEMQGXZSALFBJI-CYBMUJFWSA-N 0 3 320.462 2.441 20 30 DEEDHN C[C@@H](CNC(=O)N1CCC(C#N)CC1)N(C)Cc1ccccc1 ZINC000111505092 401717029 /nfs/dbraw/zinc/71/70/29/401717029.db2.gz KESHBFDYTYYGKP-HNNXBMFYSA-N 0 3 314.433 2.452 20 30 DEEDHN C=CCN(CCCNS(=O)(=O)CC)Cc1cccs1 ZINC000130325637 401827095 /nfs/dbraw/zinc/82/70/95/401827095.db2.gz XNHVEJHWLGHQJK-UHFFFAOYSA-N 0 3 302.465 2.066 20 30 DEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCc3ccccc32)C(N)=O)cc1 ZINC000115599979 401833546 /nfs/dbraw/zinc/83/35/46/401833546.db2.gz ZADPLJXGZZBEIQ-WMZOPIPTSA-N 0 3 305.381 2.404 20 30 DEEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cccc2ccccc21 ZINC000078256616 401844940 /nfs/dbraw/zinc/84/49/40/401844940.db2.gz XNVVGQBTJQGJCL-CYBMUJFWSA-N 0 3 317.410 2.445 20 30 DEEDHN N#Cc1ccccc1OCCN1CC[C@H](Oc2ccncc2)C1 ZINC000131932699 401859525 /nfs/dbraw/zinc/85/95/25/401859525.db2.gz GLJKRNOHHJRSAN-KRWDZBQOSA-N 0 3 309.369 2.485 20 30 DEEDHN COCCOC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000116885781 401863227 /nfs/dbraw/zinc/86/32/27/401863227.db2.gz LMFSQXYDZOKDGX-UHFFFAOYSA-N 0 3 304.390 2.064 20 30 DEEDHN COC(=O)[C@H](C)CN(Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000135029523 401924523 /nfs/dbraw/zinc/92/45/23/401924523.db2.gz AMDRVBQVCYHORU-GFCCVEGCSA-N 0 3 302.374 2.340 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118838033 401910382 /nfs/dbraw/zinc/91/03/82/401910382.db2.gz IXNJYGLNMZTKMK-CYBMUJFWSA-N 0 3 312.417 2.433 20 30 DEEDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000136203763 401962954 /nfs/dbraw/zinc/96/29/54/401962954.db2.gz XZAMYSWWORMNOY-QGZVFWFLSA-N 0 3 310.401 2.237 20 30 DEEDHN C=CCN(CC=C)[C@H](CNc1ncnc2nc[nH]c21)C(C)C ZINC000047510685 401983341 /nfs/dbraw/zinc/98/33/41/401983341.db2.gz KLWPJMDRHGACPY-CYBMUJFWSA-N 0 3 300.410 2.463 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000047773895 401988548 /nfs/dbraw/zinc/98/85/48/401988548.db2.gz WIUDKJUMXNJOPW-MRXNPFEDSA-N 0 3 317.458 2.392 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)c(O)c2)CC1 ZINC000089440359 401946704 /nfs/dbraw/zinc/94/67/04/401946704.db2.gz BDYRGMOGQBINPW-UHFFFAOYSA-N 0 3 302.418 2.400 20 30 DEEDHN COc1cc(C#N)ccc1CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000121114409 402016020 /nfs/dbraw/zinc/01/60/20/402016020.db2.gz KWGKBXQALMJGPC-OAHLLOKOSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2(CCOC)CC2)CC1 ZINC000150928519 402005497 /nfs/dbraw/zinc/00/54/97/402005497.db2.gz CWHGECXBCSSPAS-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN COc1cc(CNCc2cccc(C#N)c2)ccc1OCCO ZINC000048784386 402007955 /nfs/dbraw/zinc/00/79/55/402007955.db2.gz BOTIGPAKYYLWPC-UHFFFAOYSA-N 0 3 312.369 2.228 20 30 DEEDHN C[C@@H](CNC(=O)NCc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000065480191 402125799 /nfs/dbraw/zinc/12/57/99/402125799.db2.gz ASEPKUNGIOAGSL-HNNXBMFYSA-N 0 3 314.433 2.478 20 30 DEEDHN N#Cc1cc(F)c(C(=O)NC[C@H]2CCN(C3CC3)C2)c(F)c1 ZINC000124723368 402194114 /nfs/dbraw/zinc/19/41/14/402194114.db2.gz ISSSJVSIHYMPBE-SNVBAGLBSA-N 0 3 305.328 2.051 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000107072004 402225808 /nfs/dbraw/zinc/22/58/08/402225808.db2.gz IUMSIDUPFDREHY-KGLIPLIRSA-N 0 3 303.406 2.354 20 30 DEEDHN C#CCN1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000108929233 402264333 /nfs/dbraw/zinc/26/43/33/402264333.db2.gz ZOMUJEHLYASRTH-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(CC(C)(C)C)nn2C)CC1 ZINC000108246851 402248640 /nfs/dbraw/zinc/24/86/40/402248640.db2.gz QNOUKQNAAGMLMQ-UHFFFAOYSA-N 0 3 316.449 2.292 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@@H](N)C(C)(C)C)cc(OC)c1OC ZINC000154373457 402208952 /nfs/dbraw/zinc/20/89/52/402208952.db2.gz VNKJMWIUWXYTLP-MRXNPFEDSA-N 0 3 320.433 2.422 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(NC(C)=O)c2)CC1 ZINC000106038086 402212209 /nfs/dbraw/zinc/21/22/09/402212209.db2.gz CUUZGFLCBVAXIV-UHFFFAOYSA-N 0 3 315.417 2.415 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000176158501 402285407 /nfs/dbraw/zinc/28/54/07/402285407.db2.gz HCWJPLONHRMHNY-DOTOQJQBSA-N 0 3 323.481 2.387 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)CNc2cccc(C#N)c2)CC1 ZINC000158734490 402310815 /nfs/dbraw/zinc/31/08/15/402310815.db2.gz CBTPGOPRXWBAMQ-UHFFFAOYSA-N 0 3 312.417 2.127 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)CNc1cccc(C#N)c1 ZINC000160606336 402353689 /nfs/dbraw/zinc/35/36/89/402353689.db2.gz LTCQJPBNFRDSPP-QGZVFWFLSA-N 0 3 314.433 2.351 20 30 DEEDHN C#CCNC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000161035348 402370190 /nfs/dbraw/zinc/37/01/90/402370190.db2.gz DYJLMFOGNBZFDH-INIZCTEOSA-N 0 3 323.400 2.085 20 30 DEEDHN COc1ccc(OC)c([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185760449 402374755 /nfs/dbraw/zinc/37/47/55/402374755.db2.gz PFNZGUGBOYRHCO-ZENOOKHLSA-N 0 3 304.390 2.409 20 30 DEEDHN CN1CCN(c2cc(CN[C@@H]3CCC[C@H](C#N)C3)ccn2)CC1 ZINC000185781438 402376377 /nfs/dbraw/zinc/37/63/77/402376377.db2.gz JHKUDNZZCPVAPB-DOTOQJQBSA-N 0 3 313.449 2.005 20 30 DEEDHN N#C[C@H]1CCC[C@@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1 ZINC000185807071 402378971 /nfs/dbraw/zinc/37/89/71/402378971.db2.gz KHPADZNMQFXIIZ-DZGCQCFKSA-N 0 3 301.390 2.184 20 30 DEEDHN C=CCN1CCC(NC(=O)c2c(C)nn(CCC)c2C)CC1 ZINC000177411234 402399542 /nfs/dbraw/zinc/39/95/42/402399542.db2.gz YDLABJFFBHLIKK-UHFFFAOYSA-N 0 3 304.438 2.290 20 30 DEEDHN C#CCCCCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162262382 402414935 /nfs/dbraw/zinc/41/49/35/402414935.db2.gz OJIALYXPFXJOFI-ZDUSSCGKSA-N 0 3 309.207 2.369 20 30 DEEDHN CCN(C(=O)CSCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186320970 402421135 /nfs/dbraw/zinc/42/11/35/402421135.db2.gz HSKLQUQDMCPHIZ-MRXNPFEDSA-N 0 3 317.458 2.366 20 30 DEEDHN C=C(Br)CN[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000186419180 402429398 /nfs/dbraw/zinc/42/93/98/402429398.db2.gz WXRMAORJBNQCMM-JTQLQIEISA-N 0 3 305.216 2.352 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CNc2ccccc2)CC1 ZINC000178217019 402472638 /nfs/dbraw/zinc/47/26/38/402472638.db2.gz JNPLUQIZMJZSJN-HNNXBMFYSA-N 0 3 316.449 2.437 20 30 DEEDHN CCO[C@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)C1(CC)CC ZINC000187049958 402480328 /nfs/dbraw/zinc/48/03/28/402480328.db2.gz PRUZNFAXHVPWTC-VYDXJSESSA-N 0 3 321.465 2.368 20 30 DEEDHN C=CC[C@@H](C(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000189687929 402552500 /nfs/dbraw/zinc/55/25/00/402552500.db2.gz HAHFJCGPNLTWCJ-GOSISDBHSA-N 0 3 316.445 2.309 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1O)C(C)C ZINC000188387120 402520033 /nfs/dbraw/zinc/52/00/33/402520033.db2.gz POKSNFMTKCZTCG-IXDOHACOSA-N 0 3 323.481 2.288 20 30 DEEDHN COc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1C#N ZINC000179209539 402581068 /nfs/dbraw/zinc/58/10/68/402581068.db2.gz IVCICSPBHASETN-AWEZNQCLSA-N 0 3 302.374 2.152 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cccc(COC)c2)CC1 ZINC000171710913 402613412 /nfs/dbraw/zinc/61/34/12/402613412.db2.gz WFZCWPLUHPDGFD-UHFFFAOYSA-N 0 3 317.433 2.283 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C)nc3onc(C)c32)CC1 ZINC000171721290 402614234 /nfs/dbraw/zinc/61/42/34/402614234.db2.gz CNVLGRITIONOET-UHFFFAOYSA-N 0 3 314.389 2.220 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CCOC)Cc2ccco2)CC1 ZINC000171736605 402616907 /nfs/dbraw/zinc/61/69/07/402616907.db2.gz WAQIOSXHBCFUAO-UHFFFAOYSA-N 0 3 321.421 2.088 20 30 DEEDHN Cc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1[N+](=O)[O-] ZINC000181839355 402658311 /nfs/dbraw/zinc/65/83/11/402658311.db2.gz NDDLKMPJWJJULE-ZDUSSCGKSA-N 0 3 318.377 2.316 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000174484468 402743384 /nfs/dbraw/zinc/74/33/84/402743384.db2.gz HXAZNYIYOAWOHI-UHFFFAOYSA-N 0 3 317.437 2.455 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183384620 402762121 /nfs/dbraw/zinc/76/21/21/402762121.db2.gz UUDOMJUITSUEBE-MRXNPFEDSA-N 0 3 319.380 2.041 20 30 DEEDHN CO/N=C/c1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000263784869 402803383 /nfs/dbraw/zinc/80/33/83/402803383.db2.gz HHVWEVZRECFSPM-HNMKQIAWSA-N 0 3 315.417 2.367 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000184429543 402843690 /nfs/dbraw/zinc/84/36/90/402843690.db2.gz YQDPKSHJCGRWAV-UHFFFAOYSA-N 0 3 321.421 2.370 20 30 DEEDHN CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000195518849 402850451 /nfs/dbraw/zinc/85/04/51/402850451.db2.gz BHYYXKWTIWJARW-UHFFFAOYSA-N 0 3 311.389 2.142 20 30 DEEDHN CCN(C[C@H](O)CO[C@@H](C)COC)[C@@H](C)c1ccc(C#N)cc1 ZINC000278127538 402858062 /nfs/dbraw/zinc/85/80/62/402858062.db2.gz VSKVFLCXXMZOHZ-MPGHIAIKSA-N 0 3 320.433 2.354 20 30 DEEDHN Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)c(=O)n1C ZINC000278634597 402869209 /nfs/dbraw/zinc/86/92/09/402869209.db2.gz FRHATFDEHCDGAS-UHFFFAOYSA-N 0 3 324.428 2.333 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C)noc2C)CC1 ZINC000264405824 402875298 /nfs/dbraw/zinc/87/52/98/402875298.db2.gz RSTOVXPNWAPIAT-UHFFFAOYSA-N 0 3 306.410 2.131 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000264423570 402877119 /nfs/dbraw/zinc/87/71/19/402877119.db2.gz OTGTYQWJGPPAPW-AWEZNQCLSA-N 0 3 303.431 2.203 20 30 DEEDHN CC[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000278882076 402881749 /nfs/dbraw/zinc/88/17/49/402881749.db2.gz YASWBVXRGUMNOW-CVEARBPZSA-N 0 3 321.446 2.023 20 30 DEEDHN N#Cc1cccnc1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000265822593 402953606 /nfs/dbraw/zinc/95/36/06/402953606.db2.gz XAEQGULPMNQUAE-ZWKOTPCHSA-N 0 3 322.412 2.248 20 30 DEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCCCO1 ZINC000265855340 402956619 /nfs/dbraw/zinc/95/66/19/402956619.db2.gz QWFPCAZEQMARHY-OAHLLOKOSA-N 0 3 304.390 2.447 20 30 DEEDHN CCCCCN(CCO)CCOc1ccc(C#N)cc1OC ZINC000265891702 402959696 /nfs/dbraw/zinc/95/96/96/402959696.db2.gz FMLHIGXHVRVQAU-UHFFFAOYSA-N 0 3 306.406 2.430 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000279154678 402910495 /nfs/dbraw/zinc/91/04/95/402910495.db2.gz FODSSPRNEBIERE-KRWDZBQOSA-N 0 3 308.397 2.043 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000279273856 402925176 /nfs/dbraw/zinc/92/51/76/402925176.db2.gz AZGHFIBCHGUFPX-XWIAVFTESA-N 0 3 323.396 2.266 20 30 DEEDHN CO[C@@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279346920 402933013 /nfs/dbraw/zinc/93/30/13/402933013.db2.gz FYCZYJFEJKFQAD-WMZOPIPTSA-N 0 3 311.385 2.268 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCC#N ZINC000273639477 403022073 /nfs/dbraw/zinc/02/20/73/403022073.db2.gz XWYOJIQXYSLVKM-NVXWUHKLSA-N 0 3 314.433 2.500 20 30 DEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000266524123 402971107 /nfs/dbraw/zinc/97/11/07/402971107.db2.gz ASZXODGEYOGIAM-HUUCEWRRSA-N 0 3 302.443 2.239 20 30 DEEDHN CN1CCC(CC(=O)N(CCC#N)Cc2ccccn2)CC1 ZINC000273168800 402979297 /nfs/dbraw/zinc/97/92/97/402979297.db2.gz DNTKREPKFDHMLI-UHFFFAOYSA-N 0 3 300.406 2.056 20 30 DEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000274180937 403033037 /nfs/dbraw/zinc/03/30/37/403033037.db2.gz FOOZYMJSQDJQLR-BFYDXBDKSA-N 0 3 312.417 2.245 20 30 DEEDHN COC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280831139 403041228 /nfs/dbraw/zinc/04/12/28/403041228.db2.gz IOPCEUZBWXSMND-DLBZAZTESA-N 0 3 311.385 2.126 20 30 DEEDHN CC#CCCCC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000274368582 403048981 /nfs/dbraw/zinc/04/89/81/403048981.db2.gz VIBIQBSHAYHROJ-UHFFFAOYSA-N 0 3 316.445 2.479 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc3nccnc3cc2F)CC1 ZINC000280911460 403049224 /nfs/dbraw/zinc/04/92/24/403049224.db2.gz NOXQDRSBOOQPHH-UHFFFAOYSA-N 0 3 314.364 2.149 20 30 DEEDHN COCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281039829 403057337 /nfs/dbraw/zinc/05/73/37/403057337.db2.gz XAGDCIQYMGWAPM-KRWDZBQOSA-N 0 3 311.385 2.126 20 30 DEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000268187477 403059370 /nfs/dbraw/zinc/05/93/70/403059370.db2.gz HEIFNILDMYPWSB-LRDDRELGSA-N 0 3 315.442 2.249 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268252677 403067093 /nfs/dbraw/zinc/06/70/93/403067093.db2.gz QTQZMQHWJSPCBP-CJNGLKHVSA-N 0 3 300.402 2.464 20 30 DEEDHN CC(C)CO[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000268342679 403075416 /nfs/dbraw/zinc/07/54/16/403075416.db2.gz ASBGOGVXQLPWGF-FUHWJXTLSA-N 0 3 318.417 2.045 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(OC)cc3)C2)C1=O ZINC000282005494 403112631 /nfs/dbraw/zinc/11/26/31/403112631.db2.gz NXDAETCNXMFQAV-NVXWUHKLSA-N 0 3 300.402 2.271 20 30 DEEDHN C=CCN1CC[C@@H](N2CC[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC000282103087 403122976 /nfs/dbraw/zinc/12/29/76/403122976.db2.gz WEJPKRXYEWTFEG-DOTOQJQBSA-N 0 3 302.393 2.477 20 30 DEEDHN COCCOCCOCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000276298172 403161792 /nfs/dbraw/zinc/16/17/92/403161792.db2.gz VIMPWFLGDYWWSE-HNNXBMFYSA-N 0 3 306.406 2.231 20 30 DEEDHN C[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N(C)C1CC1 ZINC000269625209 403151328 /nfs/dbraw/zinc/15/13/28/403151328.db2.gz DNUOJNFRINKXBO-ZDUSSCGKSA-N 0 3 312.417 2.329 20 30 DEEDHN CC#CCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000270624962 403206738 /nfs/dbraw/zinc/20/67/38/403206738.db2.gz DFBABDIZSUBJJY-QGZVFWFLSA-N 0 3 315.417 2.155 20 30 DEEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000276448031 403176247 /nfs/dbraw/zinc/17/62/47/403176247.db2.gz PGFPYMMFYCASOF-INIZCTEOSA-N 0 3 301.434 2.232 20 30 DEEDHN C#CCCCN(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000270996915 403251570 /nfs/dbraw/zinc/25/15/70/403251570.db2.gz FRCQRJCGKIKYOL-UHFFFAOYSA-N 0 3 309.431 2.204 20 30 DEEDHN C[C@@H]1CN(CCCNc2nc3c(cc2C#N)CCC3)CCCO1 ZINC000277781425 403256214 /nfs/dbraw/zinc/25/62/14/403256214.db2.gz WRVWXLKOPGKHKD-CQSZACIVSA-N 0 3 314.433 2.355 20 30 DEEDHN C[C@H]1CN(CCCNc2cc(C#N)ccc2[N+](=O)[O-])CCCO1 ZINC000277860461 403264884 /nfs/dbraw/zinc/26/48/84/403264884.db2.gz CWRNHMRPSXFIHA-ZDUSSCGKSA-N 0 3 318.377 2.379 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284454319 403267437 /nfs/dbraw/zinc/26/74/37/403267437.db2.gz STOSGXNBEGKJNX-PBHICJAKSA-N 0 3 320.433 2.395 20 30 DEEDHN C#CCOc1ccccc1CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000271170513 403272855 /nfs/dbraw/zinc/27/28/55/403272855.db2.gz HQYCSXWMTNICOK-MRXNPFEDSA-N 0 3 313.397 2.474 20 30 DEEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)NCCCOCC ZINC000284972840 403275294 /nfs/dbraw/zinc/27/52/94/403275294.db2.gz DDYINXSGSMSIAS-FUHWJXTLSA-N 0 3 316.445 2.142 20 30 DEEDHN CC[C@@](C)(C#N)C(=O)NCc1ccccc1OCCN(C)C ZINC000285247843 403279935 /nfs/dbraw/zinc/27/99/35/403279935.db2.gz RQOPKYZXAKOICP-KRWDZBQOSA-N 0 3 303.406 2.183 20 30 DEEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000330836775 403309984 /nfs/dbraw/zinc/30/99/84/403309984.db2.gz RNRFILGMKNPJHW-OAGGEKHMSA-N 0 3 302.422 2.295 20 30 DEEDHN C=CCC[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccco1 ZINC000285492450 403310093 /nfs/dbraw/zinc/31/00/93/403310093.db2.gz AJSRLJJOXUUHTB-ZIAGYGMSSA-N 0 3 312.435 2.158 20 30 DEEDHN COC[C@@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000342704653 403314586 /nfs/dbraw/zinc/31/45/86/403314586.db2.gz RZVQVEKNSGCVDQ-JKSUJKDBSA-N 0 3 321.465 2.466 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000298160368 403324705 /nfs/dbraw/zinc/32/47/05/403324705.db2.gz SIGLKPSSQYDVCD-KYJSFNMBSA-N 0 3 312.413 2.168 20 30 DEEDHN N#Cc1ccncc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000345435452 403333492 /nfs/dbraw/zinc/33/34/92/403333492.db2.gz QJEWBKUIPNDTAC-INIZCTEOSA-N 0 3 320.396 2.205 20 30 DEEDHN N#Cc1ccc2ncc(CN[C@H]3CCC[C@H]3OC(F)F)n2c1 ZINC000342854005 403373447 /nfs/dbraw/zinc/37/34/47/403373447.db2.gz PXTZXNFOWGUIPT-QWHCGFSZSA-N 0 3 306.316 2.456 20 30 DEEDHN CC(C#N)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000331384102 403377328 /nfs/dbraw/zinc/37/73/28/403377328.db2.gz AKWNKNAZGNLIOU-VIFPVBQESA-N 0 3 309.163 2.330 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000342936251 403402749 /nfs/dbraw/zinc/40/27/49/403402749.db2.gz WZLMKXPEDKBDDN-KRWDZBQOSA-N 0 3 316.445 2.124 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)[C@H]2C1 ZINC000285902521 403407061 /nfs/dbraw/zinc/40/70/61/403407061.db2.gz VEQZISHERPWPSM-DOMZBBRYSA-N 0 3 303.793 2.378 20 30 DEEDHN C#CCNC(=O)CCN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000293687400 403538118 /nfs/dbraw/zinc/53/81/18/403538118.db2.gz BMZFDZVVMYGGLL-ZDUSSCGKSA-N 0 3 305.447 2.154 20 30 DEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)Cc1ccccc1OC ZINC000293872503 403586945 /nfs/dbraw/zinc/58/69/45/403586945.db2.gz BWFGAYNZCGIPTP-INIZCTEOSA-N 0 3 316.445 2.335 20 30 DEEDHN C[C@H](CO)N1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000346642493 403596856 /nfs/dbraw/zinc/59/68/56/403596856.db2.gz LNWATRSFWSBOAG-CYBMUJFWSA-N 0 3 307.825 2.100 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000293910649 403597035 /nfs/dbraw/zinc/59/70/35/403597035.db2.gz GBVBSAMJUFNOFM-ZDUSSCGKSA-N 0 3 308.809 2.179 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCCc2cccc(C)n2)CC1 ZINC000287487905 403609367 /nfs/dbraw/zinc/60/93/67/403609367.db2.gz QWJWGKMELHLRRK-UHFFFAOYSA-N 0 3 316.449 2.272 20 30 DEEDHN COCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347061825 403614618 /nfs/dbraw/zinc/61/46/18/403614618.db2.gz FLIZQWLULKVLCA-NWDGAFQWSA-N 0 3 306.362 2.057 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000347094141 403614930 /nfs/dbraw/zinc/61/49/30/403614930.db2.gz VTRZNRXIMNACJZ-QWRGUYRKSA-N 0 3 309.316 2.143 20 30 DEEDHN CC(C#N)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000347032666 403611568 /nfs/dbraw/zinc/61/15/68/403611568.db2.gz GPXREEJRVPGSSV-LBPRGKRZSA-N 0 3 320.462 2.244 20 30 DEEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000347120372 403616368 /nfs/dbraw/zinc/61/63/68/403616368.db2.gz YADPTRXZLMUEBW-LBPRGKRZSA-N 0 3 308.341 2.110 20 30 DEEDHN CC(C)(C)OC(=O)CN[C@]1(C)CCN(CCC(C)(C)C#N)C1 ZINC000347205865 403622434 /nfs/dbraw/zinc/62/24/34/403622434.db2.gz ODOGLMWGKGEZDB-QGZVFWFLSA-N 0 3 309.454 2.322 20 30 DEEDHN C#CCN(C)CCCNC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC000294070696 403639812 /nfs/dbraw/zinc/63/98/12/403639812.db2.gz VUTMEASVXGWMNR-KRWDZBQOSA-N 0 3 302.418 2.224 20 30 DEEDHN COc1ccc(CN2CCCN(c3ccc(C#N)nn3)CC2)cc1 ZINC000301849130 403690986 /nfs/dbraw/zinc/69/09/86/403690986.db2.gz VYESWTCIMUHJLG-UHFFFAOYSA-N 0 3 323.400 2.069 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(C#N)nn1 ZINC000301895306 403697969 /nfs/dbraw/zinc/69/79/69/403697969.db2.gz BLYMBHIHEPXNPC-HNNXBMFYSA-N 0 3 307.401 2.449 20 30 DEEDHN C#CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000288191500 403740592 /nfs/dbraw/zinc/74/05/92/403740592.db2.gz QTTRTMJXMNEWTO-QAPCUYQASA-N 0 3 311.429 2.457 20 30 DEEDHN C#CCCOc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000295081136 403753322 /nfs/dbraw/zinc/75/33/22/403753322.db2.gz XTQQLGNYXPCXND-UHFFFAOYSA-N 0 3 300.402 2.255 20 30 DEEDHN C[C@H](O)[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000303994838 403761141 /nfs/dbraw/zinc/76/11/41/403761141.db2.gz OSUGDSGQPTXQSA-WCQYABFASA-N 0 3 307.419 2.184 20 30 DEEDHN N#CC(C(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccncn1 ZINC000354459589 403812251 /nfs/dbraw/zinc/81/22/51/403812251.db2.gz DHTNLJONDNQHHY-CQSZACIVSA-N 0 3 321.340 2.251 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)OCC ZINC000347722238 403826319 /nfs/dbraw/zinc/82/63/19/403826319.db2.gz PBQNZSFZUZNVSG-DOTOQJQBSA-N 0 3 324.465 2.069 20 30 DEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000295199953 403793748 /nfs/dbraw/zinc/79/37/48/403793748.db2.gz VXZYGRXHIIKBBA-KBXCAEBGSA-N 0 3 312.413 2.301 20 30 DEEDHN C#Cc1ccc(CN2CCC(C(=O)NCCCOC)CC2)cc1 ZINC000289108220 403835301 /nfs/dbraw/zinc/83/53/01/403835301.db2.gz MQHMQGSKKASRLY-UHFFFAOYSA-N 0 3 314.429 2.033 20 30 DEEDHN COc1ccccc1-c1noc([C@@H](C)NC(=O)C(C)C#N)n1 ZINC000347752469 403847295 /nfs/dbraw/zinc/84/72/95/403847295.db2.gz KGSHJVUOVKFYJV-NXEZZACHSA-N 0 3 300.318 2.082 20 30 DEEDHN C=CCOc1cccc(CN[C@H]2CCOC[C@@H]2OCCOC)c1 ZINC000362530161 403962366 /nfs/dbraw/zinc/96/23/66/403962366.db2.gz VJLSPXKNFGONMN-ROUUACIJSA-N 0 3 321.417 2.162 20 30 DEEDHN N#CC1(CCN2CCC[C@@H](n3cc(CO)nn3)C2)CCCCC1 ZINC000411766764 403962857 /nfs/dbraw/zinc/96/28/57/403962857.db2.gz KYKVESNLCXDKHS-MRXNPFEDSA-N 0 3 317.437 2.271 20 30 DEEDHN C#CCCOc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000368966271 403919211 /nfs/dbraw/zinc/91/92/11/403919211.db2.gz YALJKJBSFXPQFA-JQHSSLGASA-N 0 3 312.413 2.175 20 30 DEEDHN CC(C)[C@H](CO)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000362176988 403932982 /nfs/dbraw/zinc/93/29/82/403932982.db2.gz HNXCMTFTGHBHER-HNNXBMFYSA-N 0 3 323.824 2.193 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000305829702 403946742 /nfs/dbraw/zinc/94/67/42/403946742.db2.gz NQLVEZOULYIZDM-RDJZCZTQSA-N 0 3 323.481 2.219 20 30 DEEDHN CCCN(CCN1CCCC1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411716449 403948029 /nfs/dbraw/zinc/94/80/29/403948029.db2.gz FZYDXBYABYBTHB-FUHWJXTLSA-N 0 3 322.497 2.237 20 30 DEEDHN C=CCOc1ccc(CNCCN2CCCOCC2)cc1OC ZINC000289550973 403985544 /nfs/dbraw/zinc/98/55/44/403985544.db2.gz XSOACXRFHQQICB-UHFFFAOYSA-N 0 3 320.433 2.072 20 30 DEEDHN CO/N=C/C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000289749626 403996623 /nfs/dbraw/zinc/99/66/23/403996623.db2.gz JAPRRYRRIKELJA-GHRIWEEISA-N 0 3 305.378 2.122 20 30 DEEDHN C=C[C@H](CO)N[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000289873423 404005912 /nfs/dbraw/zinc/00/59/12/404005912.db2.gz RQCPEXLBZBKPHE-IUODEOHRSA-N 0 3 310.825 2.214 20 30 DEEDHN C=CCOCCCN1CCC(c2nnc3n2CCCC3)CC1 ZINC000348041267 404018688 /nfs/dbraw/zinc/01/86/88/404018688.db2.gz XDPLOGNPIFSDKF-UHFFFAOYSA-N 0 3 304.438 2.387 20 30 DEEDHN C[C@H]1CN(CCN2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000369116177 403971996 /nfs/dbraw/zinc/97/19/96/403971996.db2.gz LKCRFORLOPYQNG-INIZCTEOSA-N 0 3 311.429 2.368 20 30 DEEDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2sccc2C#N)C1(C)C ZINC000296077643 404083776 /nfs/dbraw/zinc/08/37/76/404083776.db2.gz PTYDXSMBCRHTQC-OASPWFOLSA-N 0 3 307.419 2.207 20 30 DEEDHN C#CCCOc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000290243393 404095815 /nfs/dbraw/zinc/09/58/15/404095815.db2.gz ZSRRUWOBTNIYCA-MRXNPFEDSA-N 0 3 321.442 2.003 20 30 DEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](C(C)C)C1=O)C(C)C ZINC000348145170 404045615 /nfs/dbraw/zinc/04/56/15/404045615.db2.gz OPHIVCHFRVOWRF-HUUCEWRRSA-N 0 3 307.438 2.261 20 30 DEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CCOC1CNC1 ZINC000349030741 404118718 /nfs/dbraw/zinc/11/87/18/404118718.db2.gz SQJBPGFAAHRWNX-UHFFFAOYSA-N 0 3 314.838 2.295 20 30 DEEDHN Cc1nnc(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[n-]1 ZINC000328798407 404154429 /nfs/dbraw/zinc/15/44/29/404154429.db2.gz WSHWQIRLONJIKJ-AWEZNQCLSA-N 0 3 305.426 2.409 20 30 DEEDHN Cc1nnc(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[n-]1 ZINC000328798407 404154435 /nfs/dbraw/zinc/15/44/35/404154435.db2.gz WSHWQIRLONJIKJ-AWEZNQCLSA-N 0 3 305.426 2.409 20 30 DEEDHN Cc1cnccc1CCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000328818113 404155635 /nfs/dbraw/zinc/15/56/35/404155635.db2.gz HAAFORYUBFHIJL-UHFFFAOYSA-N 0 3 313.405 2.449 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC(C(C)(C)C(=O)OCC)CC2)C1=O ZINC000352203248 404211249 /nfs/dbraw/zinc/21/12/49/404211249.db2.gz QEKPFZHTFCBOSH-OAHLLOKOSA-N 0 3 322.449 2.075 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000328825753 404158639 /nfs/dbraw/zinc/15/86/39/404158639.db2.gz HQLYEIDCCFXSAT-SJORKVTESA-N 0 3 317.433 2.319 20 30 DEEDHN C=CCNc1ncc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)s1 ZINC000290465273 404180331 /nfs/dbraw/zinc/18/03/31/404180331.db2.gz LMVUCYRNAVGNRV-OLZOCXBDSA-N 0 3 320.462 2.440 20 30 DEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(OCC#N)cc1)C(C)C ZINC000296311666 404189366 /nfs/dbraw/zinc/18/93/66/404189366.db2.gz OEWMUXRKAGVENI-INIZCTEOSA-N 0 3 303.406 2.181 20 30 DEEDHN CN1C[C@H](NC(=O)COC[C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000329019378 404203075 /nfs/dbraw/zinc/20/30/75/404203075.db2.gz LHBULRNOHZVGQC-PVAVHDDUSA-N 0 3 318.417 2.094 20 30 DEEDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000290595605 404235143 /nfs/dbraw/zinc/23/51/43/404235143.db2.gz REXLGZLSGJMZCM-ILXRZTDVSA-N 0 3 303.406 2.335 20 30 DEEDHN O=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCN(C2CC2)C1 ZINC000329298820 404294084 /nfs/dbraw/zinc/29/40/84/404294084.db2.gz LOPCZEBLGKNJCS-UONOGXRCSA-N 0 3 315.417 2.293 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1nc2ccccc2s1 ZINC000296430381 404245336 /nfs/dbraw/zinc/24/53/36/404245336.db2.gz WNZQTDNXEYUNMG-UHFFFAOYSA-N 0 3 316.430 2.051 20 30 DEEDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1F ZINC000341907637 404248944 /nfs/dbraw/zinc/24/89/44/404248944.db2.gz YHVJNZRUEAGVEE-YPMHNXCESA-N 0 3 310.394 2.173 20 30 DEEDHN CC1(C#N)CCN(C(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000290647452 404257177 /nfs/dbraw/zinc/25/71/77/404257177.db2.gz YWCTVKOEDUIDBB-CABCVRRESA-N 0 3 312.369 2.443 20 30 DEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC(C)(C)C#N ZINC000355193136 404272939 /nfs/dbraw/zinc/27/29/39/404272939.db2.gz MOJGVASCPDBBIK-GDBMZVCRSA-N 0 3 314.433 2.356 20 30 DEEDHN CCN1CCC(NC(=O)N2CCCC[C@H]2c2ccnn2C)CC1 ZINC000329234764 404275007 /nfs/dbraw/zinc/27/50/07/404275007.db2.gz MXSUAAPJJJEFLF-INIZCTEOSA-N 0 3 319.453 2.345 20 30 DEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)COc1ccc(C#N)cc1 ZINC000344649683 404284645 /nfs/dbraw/zinc/28/46/45/404284645.db2.gz VDINVYNWQGXIRB-MRXNPFEDSA-N 0 3 315.417 2.174 20 30 DEEDHN C=CCCCCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000364264120 404330913 /nfs/dbraw/zinc/33/09/13/404330913.db2.gz DJYHQZGTOUIONS-QGZVFWFLSA-N 0 3 322.497 2.153 20 30 DEEDHN Cc1nn(C)c2ncc(C(=O)N[C@H](C)C3=CCN(C)CC3)cc12 ZINC000329494031 404353602 /nfs/dbraw/zinc/35/36/02/404353602.db2.gz IGJSKLFVVZMLFZ-LLVKDONJSA-N 0 3 313.405 2.232 20 30 DEEDHN COCCN(CCN(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355654044 404357614 /nfs/dbraw/zinc/35/76/14/404357614.db2.gz FKCBSYMIVSTZGP-QGZVFWFLSA-N 0 3 317.433 2.111 20 30 DEEDHN CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CCN1C ZINC000337898742 404301087 /nfs/dbraw/zinc/30/10/87/404301087.db2.gz GUNKJGATTIRAQJ-MRXNPFEDSA-N 0 3 324.432 2.130 20 30 DEEDHN CCN1CCN(CCNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)CC1 ZINC000329362207 404313885 /nfs/dbraw/zinc/31/38/85/404313885.db2.gz YWVSGNYDZOYFKT-GJZGRUSLSA-N 0 3 323.481 2.222 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](O)Cc2ccccc2Cl)CC1 ZINC000356291866 404427817 /nfs/dbraw/zinc/42/78/17/404427817.db2.gz YCOCDGIZDKMQBH-MRXNPFEDSA-N 0 3 322.836 2.010 20 30 DEEDHN Cc1nc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)sc1C ZINC000329708317 404429810 /nfs/dbraw/zinc/42/98/10/404429810.db2.gz MDOBKCBZOXMTQZ-NSHDSACASA-N 0 3 308.451 2.414 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000350453481 404392029 /nfs/dbraw/zinc/39/20/29/404392029.db2.gz FXPCRYURNBIMSA-ZWKOTPCHSA-N 0 3 319.364 2.090 20 30 DEEDHN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)C12CCC2 ZINC000329695128 404424663 /nfs/dbraw/zinc/42/46/63/404424663.db2.gz CYUNGKZVCJLAMH-VNQPRFMTSA-N 0 3 321.465 2.488 20 30 DEEDHN C[C@@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccc(C#N)cc1 ZINC000291745244 404502161 /nfs/dbraw/zinc/50/21/61/404502161.db2.gz ZDCULMPFMFLUHB-RDTXWAMCSA-N 0 3 312.417 2.356 20 30 DEEDHN C[C@]1(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CCCOC1 ZINC000329744539 404439235 /nfs/dbraw/zinc/43/92/35/404439235.db2.gz QUKWFUYJWBSTAX-INIZCTEOSA-N 0 3 320.345 2.246 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H](OCC2CC2)C1 ZINC000329754643 404441946 /nfs/dbraw/zinc/44/19/46/404441946.db2.gz XJWDWGUCJCYPEM-KGLIPLIRSA-N 0 3 318.421 2.072 20 30 DEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H](OCC2CC2)C1 ZINC000329754643 404441953 /nfs/dbraw/zinc/44/19/53/404441953.db2.gz XJWDWGUCJCYPEM-KGLIPLIRSA-N 0 3 318.421 2.072 20 30 DEEDHN CN(CCN1CCCC1)C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330008563 404524072 /nfs/dbraw/zinc/52/40/72/404524072.db2.gz FNWRHVPKAJLYRR-UHFFFAOYSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H]1CCCN(CCNC(=O)N[C@H]2CCOC3(CCC3)C2)C1 ZINC000330207765 404587135 /nfs/dbraw/zinc/58/71/35/404587135.db2.gz GGBURVDDXKWDBS-CABCVRRESA-N 0 3 309.454 2.324 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330228819 404593839 /nfs/dbraw/zinc/59/38/39/404593839.db2.gz VPADRRLSLUFHQD-IPYPFGDCSA-N 0 3 307.438 2.074 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCN(CC)C[C@H]1C ZINC000352699365 404557379 /nfs/dbraw/zinc/55/73/79/404557379.db2.gz QKGGRYHQEFKHGQ-SJLPKXTDSA-N 0 3 318.461 2.181 20 30 DEEDHN C[C@H](CO)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000351490188 404602708 /nfs/dbraw/zinc/60/27/08/404602708.db2.gz DZNMCSJKIQGHQQ-OAHLLOKOSA-N 0 3 321.465 2.297 20 30 DEEDHN CCCc1nc(C)c(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)o1 ZINC000330258597 404604750 /nfs/dbraw/zinc/60/47/50/404604750.db2.gz MONYAPVRJOMNSC-KBPBESRZSA-N 0 3 320.437 2.376 20 30 DEEDHN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000330261361 404605580 /nfs/dbraw/zinc/60/55/80/404605580.db2.gz OZXZSEYAMCGXEY-ZBFHGGJFSA-N 0 3 319.449 2.218 20 30 DEEDHN C=CC[C@@H](C)NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000342486913 404611309 /nfs/dbraw/zinc/61/13/09/404611309.db2.gz ILDLPDINPCONAP-OAHLLOKOSA-N 0 3 319.449 2.433 20 30 DEEDHN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000330331904 404629165 /nfs/dbraw/zinc/62/91/65/404629165.db2.gz OLUVZRDJUFLZJD-CZUORRHYSA-N 0 3 309.454 2.178 20 30 DEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCCO[C@@H]1c1nccn1C ZINC000330337283 404630441 /nfs/dbraw/zinc/63/04/41/404630441.db2.gz TXJKYOXRXJNHEV-NYTXWWLZSA-N 0 3 320.437 2.470 20 30 DEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330362684 404637964 /nfs/dbraw/zinc/63/79/64/404637964.db2.gz ZVRHEXMFJQVWFQ-HZSPNIEDSA-N 0 3 320.437 2.339 20 30 DEEDHN CCN1C[C@H](C)N(CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000330551196 404686423 /nfs/dbraw/zinc/68/64/23/404686423.db2.gz DYKLYFCNBTZYJD-GJZGRUSLSA-N 0 3 314.433 2.301 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2CC(C(F)(F)F)C2)CC1 ZINC000352858415 404667024 /nfs/dbraw/zinc/66/70/24/404667024.db2.gz WVAODPHPIOJHPG-UHFFFAOYSA-N 0 3 305.344 2.277 20 30 DEEDHN COc1ccc(C2(CNC(=O)C(C)C#N)CCOCC2)cc1 ZINC000357813762 404744784 /nfs/dbraw/zinc/74/47/84/404744784.db2.gz WFAVHRRCEYMDLD-CYBMUJFWSA-N 0 3 302.374 2.019 20 30 DEEDHN C=C(C)CN(C)Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000353163826 404758592 /nfs/dbraw/zinc/75/85/92/404758592.db2.gz OIJKNXOAQBYHFC-UHFFFAOYSA-N 0 3 306.406 2.218 20 30 DEEDHN CN(CCC#N)C(=O)CCN(CCC(F)(F)F)CC1CC1 ZINC000356995998 404723590 /nfs/dbraw/zinc/72/35/90/404723590.db2.gz GVRRLUVBKWXLPG-UHFFFAOYSA-N 0 3 305.344 2.413 20 30 DEEDHN CC#CCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000359186658 404786745 /nfs/dbraw/zinc/78/67/45/404786745.db2.gz COOHCBXQGIBEGE-KRWDZBQOSA-N 0 3 301.434 2.466 20 30 DEEDHN C=CCCCCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000353357988 404812181 /nfs/dbraw/zinc/81/21/81/404812181.db2.gz WTVLHDVBEPXJKE-UHFFFAOYSA-N 0 3 310.486 2.058 20 30 DEEDHN C=CCCS(=O)(=O)N1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000360170015 404820244 /nfs/dbraw/zinc/82/02/44/404820244.db2.gz WCUUCXWJXHMOQE-QLFBSQMISA-N 0 3 300.468 2.230 20 30 DEEDHN C[C@@H](C(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc(C#N)c1 ZINC000360331589 404825435 /nfs/dbraw/zinc/82/54/35/404825435.db2.gz FJBHWULLKODWAE-DYVFJYSZSA-N 0 3 317.458 2.215 20 30 DEEDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)CCCC#N ZINC000360391614 404826836 /nfs/dbraw/zinc/82/68/36/404826836.db2.gz AVJJZMHUWJLLNT-UHFFFAOYSA-N 0 3 300.406 2.450 20 30 DEEDHN C=CCC1(C(=O)NCCCCN2CCN(CC)CC2)CCC1 ZINC000358787933 404775400 /nfs/dbraw/zinc/77/54/00/404775400.db2.gz YLEKYZNFMRWCCL-UHFFFAOYSA-N 0 3 307.482 2.267 20 30 DEEDHN C=CCCS(=O)(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000366823734 404853618 /nfs/dbraw/zinc/85/36/18/404853618.db2.gz MFVOGARAUHBSQF-QGZVFWFLSA-N 0 3 322.474 2.394 20 30 DEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000434540417 404910031 /nfs/dbraw/zinc/91/00/31/404910031.db2.gz MOZHMDISYKMUNM-KRWDZBQOSA-N 0 3 320.458 2.451 20 30 DEEDHN Cn1cc(Br)cc1C(=O)C(C#N)c1ccncn1 ZINC000434642823 404917513 /nfs/dbraw/zinc/91/75/13/404917513.db2.gz MMAUHXNYLIUPTK-SECBINFHSA-N 0 3 305.135 2.068 20 30 DEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCCCCO ZINC000434685480 404923694 /nfs/dbraw/zinc/92/36/94/404923694.db2.gz OIUUNKLVTFHERR-PQUAAJSLSA-N 0 3 323.481 2.400 20 30 DEEDHN COc1cc(C)c([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424087356 405001823 /nfs/dbraw/zinc/00/18/23/405001823.db2.gz FRVPCUYDSDKJAV-JSGCOSHPSA-N 0 3 319.405 2.211 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1cc(Br)cs1 ZINC000424094255 405003174 /nfs/dbraw/zinc/00/31/74/405003174.db2.gz LMDFGVVLNJSVDU-JTQLQIEISA-N 0 3 316.224 2.148 20 30 DEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1OC(F)F ZINC000424104324 405007561 /nfs/dbraw/zinc/00/75/61/405007561.db2.gz UIUPXQRVKKARFF-JQWIXIFHSA-N 0 3 311.332 2.486 20 30 DEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc2c(c1)OCCO2 ZINC000424107230 405008818 /nfs/dbraw/zinc/00/88/18/405008818.db2.gz YYMCRKBZGWDDIY-KGLIPLIRSA-N 0 3 317.389 2.046 20 30 DEEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@H](COC)Cc1ccccc1 ZINC000424120162 405012629 /nfs/dbraw/zinc/01/26/29/405012629.db2.gz GYSOOUBIFMKLHK-IRXDYDNUSA-N 0 3 317.433 2.114 20 30 DEEDHN COc1ccc([C@@H]2CCN(C(=O)[C@H](N)CCCC#N)C2)cc1 ZINC000424117426 405012704 /nfs/dbraw/zinc/01/27/04/405012704.db2.gz YRPJSEPIQHCGGX-GDBMZVCRSA-N 0 3 301.390 2.032 20 30 DEEDHN Cc1ccc(OC(F)F)c(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424117802 405013114 /nfs/dbraw/zinc/01/31/14/405013114.db2.gz BYGOUSROHTYFTP-GFCCVEGCSA-N 0 3 311.332 2.234 20 30 DEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccc(Cl)cc1 ZINC000424120483 405013482 /nfs/dbraw/zinc/01/34/82/405013482.db2.gz HDWNPYQSSKFPHC-FZMZJTMJSA-N 0 3 309.797 2.245 20 30 DEEDHN CN(C)[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000424132963 405016743 /nfs/dbraw/zinc/01/67/43/405016743.db2.gz IQSLZAPPRNLTMG-LSDHHAIUSA-N 0 3 322.840 2.080 20 30 DEEDHN Cc1ccnc(-c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)n1 ZINC000424134583 405016844 /nfs/dbraw/zinc/01/68/44/405016844.db2.gz YIABBLAACXOSMT-OAHLLOKOSA-N 0 3 309.373 2.412 20 30 DEEDHN CN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000424142452 405020056 /nfs/dbraw/zinc/02/00/56/405020056.db2.gz IGISFVXKWCJTIJ-IAGOWNOFSA-N 0 3 314.433 2.135 20 30 DEEDHN CN(C)c1cccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424149886 405022297 /nfs/dbraw/zinc/02/22/97/405022297.db2.gz XTAYFFXCMVSHGK-IAGOWNOFSA-N 0 3 314.433 2.437 20 30 DEEDHN CC(C)N(CCN(C)S(=O)(=O)CC1(CC#N)CC1)C(C)C ZINC000451385477 404976329 /nfs/dbraw/zinc/97/63/29/404976329.db2.gz SACCJIWXMPWTDJ-UHFFFAOYSA-N 0 3 315.483 2.061 20 30 DEEDHN C=C(C)CS(=O)(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000435441456 404982070 /nfs/dbraw/zinc/98/20/70/404982070.db2.gz FTWAHROACFFVSL-KRWDZBQOSA-N 0 3 322.474 2.393 20 30 DEEDHN CN(CCOc1cccc(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000424067869 404992821 /nfs/dbraw/zinc/99/28/21/404992821.db2.gz XLDSGRVCMUFAGP-AWEZNQCLSA-N 0 3 309.797 2.198 20 30 DEEDHN CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424079244 404997947 /nfs/dbraw/zinc/99/79/47/404997947.db2.gz QVIVIFQBXSQXDP-AWEZNQCLSA-N 0 3 309.797 2.198 20 30 DEEDHN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424087359 405000952 /nfs/dbraw/zinc/00/09/52/405000952.db2.gz FRVPCUYDSDKJAV-OCCSQVGLSA-N 0 3 319.405 2.211 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424445345 405095889 /nfs/dbraw/zinc/09/58/89/405095889.db2.gz FCUXUTXFNYEVNH-ZDUSSCGKSA-N 0 3 303.406 2.253 20 30 DEEDHN CCO[C@@H]1C[C@H](NCC(=O)NC2(C#N)CCC2)C12CCCCC2 ZINC000367558647 405081965 /nfs/dbraw/zinc/08/19/65/405081965.db2.gz DIBNTCZAZFFTFI-LSDHHAIUSA-N 0 3 319.449 2.266 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000452028115 405131299 /nfs/dbraw/zinc/13/12/99/405131299.db2.gz BSRLRDWSVYSWIB-ANQUJSFKSA-N 0 3 309.454 2.367 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC1(O)CCC1)C(C)C ZINC000354254986 405126281 /nfs/dbraw/zinc/12/62/81/405126281.db2.gz MPUCUSBZFDFJHL-INIZCTEOSA-N 0 3 323.481 2.241 20 30 DEEDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000452034665 405135494 /nfs/dbraw/zinc/13/54/94/405135494.db2.gz LNUNVDFHMGDIDT-HZPDHXFCSA-N 0 3 301.390 2.434 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H](n3cccn3)C2)c1 ZINC000361590159 405149243 /nfs/dbraw/zinc/14/92/43/405149243.db2.gz SRQMFXKGKARHCG-MRXNPFEDSA-N 0 3 309.373 2.030 20 30 DEEDHN N#Cc1cccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000367960443 405203890 /nfs/dbraw/zinc/20/38/90/405203890.db2.gz ZLHUZTDJKJMIEO-SJORKVTESA-N 0 3 300.402 2.358 20 30 DEEDHN N#CC(C(=O)c1cnc2nccnc2c1)c1nc2ccccc2[nH]1 ZINC000354364309 405176860 /nfs/dbraw/zinc/17/68/60/405176860.db2.gz CMLGUXFPVPSMBO-LLVKDONJSA-N 0 3 314.308 2.391 20 30 DEEDHN CN(C)CCN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419648310 405261330 /nfs/dbraw/zinc/26/13/30/405261330.db2.gz RNSWMRHSSOPCIX-INIZCTEOSA-N 0 3 300.406 2.139 20 30 DEEDHN Cc1ccc(CN(CCN(C)C)C(=O)NCC2(C#N)CCC2)o1 ZINC000419643590 405261398 /nfs/dbraw/zinc/26/13/98/405261398.db2.gz LIDWCJIURFYATN-UHFFFAOYSA-N 0 3 318.421 2.355 20 30 DEEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419965656 405275826 /nfs/dbraw/zinc/27/58/26/405275826.db2.gz XGHRZFYWRYEOFW-MRXNPFEDSA-N 0 3 323.481 2.071 20 30 DEEDHN C=CCC[C@@H]1NC(=O)N(C[C@H](C)N(C)Cc2ccccc2)C1=O ZINC000420002922 405279309 /nfs/dbraw/zinc/27/93/09/405279309.db2.gz SHUDEMNHDHFJOA-HOCLYGCPSA-N 0 3 315.417 2.394 20 30 DEEDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C1(C)C ZINC000439518526 405283801 /nfs/dbraw/zinc/28/38/01/405283801.db2.gz HAZAKGSRIBGECU-TUKIKUTGSA-N 0 3 301.390 2.288 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425000487 405227350 /nfs/dbraw/zinc/22/73/50/405227350.db2.gz BTFTYEGBSFIMNE-YQVWRLOYSA-N 0 3 314.429 2.046 20 30 DEEDHN C=CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419334677 405240239 /nfs/dbraw/zinc/24/02/39/405240239.db2.gz GWKCOMCDVPQUOQ-LBPRGKRZSA-N 0 3 301.390 2.226 20 30 DEEDHN C=C(CC)CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000454306061 405325368 /nfs/dbraw/zinc/32/53/68/405325368.db2.gz HFYRFOXAZUCVFX-UHFFFAOYSA-N 0 3 305.422 2.392 20 30 DEEDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454316660 405327108 /nfs/dbraw/zinc/32/71/08/405327108.db2.gz KIDOITOFYGHYGU-ZDUSSCGKSA-N 0 3 318.396 2.228 20 30 DEEDHN C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000425446591 405292218 /nfs/dbraw/zinc/29/22/18/405292218.db2.gz QEOFYINATOJHDN-HYVNUMGLSA-N 0 3 314.433 2.498 20 30 DEEDHN COCC(C)(C)N1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000425500412 405298675 /nfs/dbraw/zinc/29/86/75/405298675.db2.gz BIEANUMMXWIWBE-UHFFFAOYSA-N 0 3 317.433 2.109 20 30 DEEDHN CC(C#N)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000427526000 405410702 /nfs/dbraw/zinc/41/07/02/405410702.db2.gz BAKNBIHYDLMKKG-QWRGUYRKSA-N 0 3 314.307 2.132 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](OCC)[C@H](C)C2)CC1 ZINC000454539086 405360329 /nfs/dbraw/zinc/36/03/29/405360329.db2.gz IVEMKCFLCZARGZ-ZBFHGGJFSA-N 0 3 309.454 2.093 20 30 DEEDHN CN(C[C@@H]1CCCN1C)c1nc2cc(Cl)ccn2c1C#N ZINC000420630060 405364328 /nfs/dbraw/zinc/36/43/28/405364328.db2.gz DGSNDDBTMCFFMI-LBPRGKRZSA-N 0 3 303.797 2.390 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454625770 405374510 /nfs/dbraw/zinc/37/45/10/405374510.db2.gz URXGVGYZCCWTOC-CYBMUJFWSA-N 0 3 318.396 2.371 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](CCO)CC1 ZINC000421032337 405436743 /nfs/dbraw/zinc/43/67/43/405436743.db2.gz FDTBFAMAINYQSN-JKSUJKDBSA-N 0 3 321.465 2.202 20 30 DEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000429700810 405444032 /nfs/dbraw/zinc/44/40/32/405444032.db2.gz IXUWTEFDJLHCEP-KRWDZBQOSA-N 0 3 303.450 2.256 20 30 DEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455763026 405448236 /nfs/dbraw/zinc/44/82/36/405448236.db2.gz OPLDTKIYIYOYQA-JTQLQIEISA-N 0 3 307.785 2.165 20 30 DEEDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(C#N)o1 ZINC000429806562 405450636 /nfs/dbraw/zinc/45/06/36/405450636.db2.gz KOJNYIHDSSJRKJ-UHFFFAOYSA-N 0 3 313.357 2.022 20 30 DEEDHN C[C@H]1C[C@]1(C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000448972054 405479590 /nfs/dbraw/zinc/47/95/90/405479590.db2.gz WZJQYLUGHGOOQB-WMLDXEAASA-N 0 3 321.490 2.404 20 30 DEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccccc1C(F)(F)F ZINC000577622024 405481513 /nfs/dbraw/zinc/48/15/13/405481513.db2.gz RERQMSWUFPTFAC-ZDUSSCGKSA-N 0 3 315.339 2.001 20 30 DEEDHN CN1CCC[C@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000448978797 405483058 /nfs/dbraw/zinc/48/30/58/405483058.db2.gz YWJVLTPOSLWZMN-NSHDSACASA-N 0 3 322.206 2.145 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458723216 405558955 /nfs/dbraw/zinc/55/89/55/405558955.db2.gz DSPDGRIWHVJCNI-XHSDSOJGSA-N 0 3 309.454 2.092 20 30 DEEDHN COc1cccc2c1CCN(C[C@H](O)CC1(C#N)CC1)CC2 ZINC000528480616 405628654 /nfs/dbraw/zinc/62/86/54/405628654.db2.gz GLXLYNCOEQICSU-OAHLLOKOSA-N 0 3 300.402 2.151 20 30 DEEDHN CCn1nccc1C1CCN(C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528484585 405629823 /nfs/dbraw/zinc/62/98/23/405629823.db2.gz JZECWSQEAJLKJN-OAHLLOKOSA-N 0 3 302.422 2.137 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(cc1OC(F)F)OCO2 ZINC000449520376 405595605 /nfs/dbraw/zinc/59/56/05/405595605.db2.gz PDHLYJGSIUWPHA-MNOVXSKESA-N 0 3 313.300 2.450 20 30 DEEDHN Cc1noc([C@@H]2CC[C@H](CNCc3cc(C#N)cs3)O2)n1 ZINC000431683292 405661195 /nfs/dbraw/zinc/66/11/95/405661195.db2.gz YENACVUKBJJNFP-YPMHNXCESA-N 0 3 304.375 2.321 20 30 DEEDHN CC(C)(CN1CCCC1)NC(=O)c1ncc(C#N)cc1Cl ZINC000457060759 405676049 /nfs/dbraw/zinc/67/60/49/405676049.db2.gz XWOIOLNHPNKUIA-UHFFFAOYSA-N 0 3 306.797 2.211 20 30 DEEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000458982244 405676770 /nfs/dbraw/zinc/67/67/70/405676770.db2.gz AHGSCYIEAUIOIR-OAHLLOKOSA-N 0 3 322.497 2.009 20 30 DEEDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2c(F)cccc2C#N)C1 ZINC000457101016 405700171 /nfs/dbraw/zinc/70/01/71/405700171.db2.gz XLTFLNWVWYDYKU-CQSZACIVSA-N 0 3 303.381 2.181 20 30 DEEDHN C=CCc1cc(CNC(=O)[C@H](N)C(C)C)cc(OC)c1OC ZINC000494511349 405712497 /nfs/dbraw/zinc/71/24/97/405712497.db2.gz PZFGULHTXDFYDN-OAHLLOKOSA-N 0 3 306.406 2.032 20 30 DEEDHN C[C@@H](CNC(=O)CNc1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000494543047 405717120 /nfs/dbraw/zinc/71/71/20/405717120.db2.gz FKKMLZSXAGDWDH-GJZGRUSLSA-N 0 3 314.433 2.349 20 30 DEEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2COCCN2)cc1 ZINC000530224428 405776779 /nfs/dbraw/zinc/77/67/79/405776779.db2.gz RJZZTUQQGGZTPN-UKRRQHHQSA-N 0 3 310.825 2.457 20 30 DEEDHN C=CCC(C)(C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000432569217 405782214 /nfs/dbraw/zinc/78/22/14/405782214.db2.gz WWDUQHVVPORMOQ-HNNXBMFYSA-N 0 3 323.481 2.483 20 30 DEEDHN CCOC(=O)[C@](C)(O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433025255 405853599 /nfs/dbraw/zinc/85/35/99/405853599.db2.gz JEYYUEXNNUNKRA-NVXWUHKLSA-N 0 3 304.390 2.325 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000560737525 405865427 /nfs/dbraw/zinc/86/54/27/405865427.db2.gz UAELEDFACAYYDX-BRWVUGGUSA-N 0 3 313.401 2.211 20 30 DEEDHN CC(C)(C)OC(=O)NC[C@H]1CCCN(CCOCCC#N)C1 ZINC000495795571 405934457 /nfs/dbraw/zinc/93/44/57/405934457.db2.gz PTBAYMMYNBTYQE-CQSZACIVSA-N 0 3 311.426 2.153 20 30 DEEDHN C[C@@H](C#N)OCCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495785838 405934816 /nfs/dbraw/zinc/93/48/16/405934816.db2.gz KJZLKWFVEQITRH-UONOGXRCSA-N 0 3 311.426 2.152 20 30 DEEDHN COC(=O)C(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433377171 405938228 /nfs/dbraw/zinc/93/82/28/405938228.db2.gz VLOCTMXXVXVXFT-CQSZACIVSA-N 0 3 302.374 2.074 20 30 DEEDHN COC(C)(C)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433309504 405918278 /nfs/dbraw/zinc/91/82/78/405918278.db2.gz AKAKFEMCXLVCQM-UHFFFAOYSA-N 0 3 313.405 2.373 20 30 DEEDHN CCO[C@H]1C[C@@](N)(C(=O)N2CCC(CCC#N)CC2)C1(C)C ZINC000515848716 406083049 /nfs/dbraw/zinc/08/30/49/406083049.db2.gz KORDBAYHYBGZKL-WMLDXEAASA-N 0 3 307.438 2.061 20 30 DEEDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000459782322 406043390 /nfs/dbraw/zinc/04/33/90/406043390.db2.gz UICWZDWSTNABQF-OCCSQVGLSA-N 0 3 307.781 2.307 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CN1C[C@@H]2C[C@H]1CS2 ZINC000459797663 406049995 /nfs/dbraw/zinc/04/99/95/406049995.db2.gz SIIKNQPEUWQUPQ-JYJNAYRXSA-N 0 3 305.443 2.345 20 30 DEEDHN CN(CCOCc1ccc(C#N)cc1)CCOC[C@H]1CCCO1 ZINC000515249104 406058385 /nfs/dbraw/zinc/05/83/85/406058385.db2.gz AXMURZHCWYOIIA-GOSISDBHSA-N 0 3 318.417 2.202 20 30 DEEDHN C=CCCCCCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000563427275 406060257 /nfs/dbraw/zinc/06/02/57/406060257.db2.gz MLPBLUFIRKOVSB-MRXNPFEDSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000564169206 406063287 /nfs/dbraw/zinc/06/32/87/406063287.db2.gz ZCIJBWLKNKDBLZ-YLADIXGZSA-N 0 3 319.449 2.239 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cn(C)nc2C2CC2)CC1 ZINC000564581363 406064242 /nfs/dbraw/zinc/06/42/42/406064242.db2.gz LJMHLJIFTLCUPP-UHFFFAOYSA-N 0 3 302.422 2.068 20 30 DEEDHN C[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)C(F)(F)F ZINC000565534235 406073017 /nfs/dbraw/zinc/07/30/17/406073017.db2.gz CFXBVJGMGQQPCG-YPMHNXCESA-N 0 3 316.323 2.280 20 30 DEEDHN N#Cc1ccc(N2CCC[C@H](NCC[C@@H]3CCOC3)C2=O)cc1 ZINC000517199183 406124008 /nfs/dbraw/zinc/12/40/08/406124008.db2.gz KNMKFNBJYQFOOB-WBVHZDCISA-N 0 3 313.401 2.070 20 30 DEEDHN C=CCn1cc(CN[C@H]2CCC[C@H](c3ccnn3C)C2)nn1 ZINC000567890527 406154690 /nfs/dbraw/zinc/15/46/90/406154690.db2.gz CIHNQMZGHXRMFK-KBPBESRZSA-N 0 3 300.410 2.014 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnn(CC)c2C2CC2)CC1 ZINC000639689201 406206484 /nfs/dbraw/zinc/20/64/84/406206484.db2.gz XRYVUHYBCOJKHJ-UHFFFAOYSA-N 0 3 302.422 2.161 20 30 DEEDHN CN(CCCN1CCCC1=O)CCOCc1ccc(C#N)cc1 ZINC000519732245 406243033 /nfs/dbraw/zinc/24/30/33/406243033.db2.gz XCHSNRRAYZULJH-UHFFFAOYSA-N 0 3 315.417 2.019 20 30 DEEDHN CCCN(CCN1CCN(CC)CC1)c1ccc(C#N)c(C)n1 ZINC000487997143 406282712 /nfs/dbraw/zinc/28/27/12/406282712.db2.gz DTVJMEDPLQHQLL-UHFFFAOYSA-N 0 3 315.465 2.116 20 30 DEEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C)[C@@H](C(C)C)C1 ZINC000488009867 406285624 /nfs/dbraw/zinc/28/56/24/406285624.db2.gz OKGOSSSAPWWHMU-IAGOWNOFSA-N 0 3 315.417 2.044 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[C@@H]1C ZINC000488041179 406288335 /nfs/dbraw/zinc/28/83/35/406288335.db2.gz LNIZLTJFZFQCGI-HOTGVXAUSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000521033668 406327494 /nfs/dbraw/zinc/32/74/94/406327494.db2.gz VUXLCAVXWIVBGA-JLSDUUJJSA-N 0 3 318.417 2.108 20 30 DEEDHN COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000546001757 406343863 /nfs/dbraw/zinc/34/38/63/406343863.db2.gz IJXGDCPEMZZOIP-ZDUSSCGKSA-N 0 3 302.378 2.030 20 30 DEEDHN C[C@H]1C[C@H]1N1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488748315 406345576 /nfs/dbraw/zinc/34/55/76/406345576.db2.gz GTTOOUAWNLATBI-SGMGOOAPSA-N 0 3 315.377 2.028 20 30 DEEDHN Cc1nnc([C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000520531298 406299469 /nfs/dbraw/zinc/29/94/69/406299469.db2.gz UHMJQCVLZSQLRV-AWEZNQCLSA-N 0 3 324.432 2.254 20 30 DEEDHN N#CC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522194965 406396719 /nfs/dbraw/zinc/39/67/19/406396719.db2.gz BFLVHZKPNQHJOK-KRWDZBQOSA-N 0 3 312.417 2.056 20 30 DEEDHN C=C[C@@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000489424611 406404953 /nfs/dbraw/zinc/40/49/53/406404953.db2.gz KJSRYCRTWXDQGQ-QZTJIDSGSA-N 0 3 315.461 2.446 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000569128959 292392481 /nfs/dbraw/zinc/39/24/81/292392481.db2.gz OIZHKNRBLQWXIR-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN Cc1cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)ccc1C#N ZINC000489046650 406374099 /nfs/dbraw/zinc/37/40/99/406374099.db2.gz UWNBJNXZZLQYGX-OAHLLOKOSA-N 0 3 301.434 2.144 20 30 DEEDHN C#CCN1CCC(C(=O)NCC(C)(C)Oc2ccccc2)CC1 ZINC000490648713 406479163 /nfs/dbraw/zinc/47/91/63/406479163.db2.gz BMYDAYLSTIUYSP-UHFFFAOYSA-N 0 3 314.429 2.305 20 30 DEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H](N)CCC(C)C)cc1 ZINC000637939758 406486912 /nfs/dbraw/zinc/48/69/12/406486912.db2.gz QEPSWUKSTKAVFO-OAHLLOKOSA-N 0 3 303.406 2.304 20 30 DEEDHN C#CCNC(=O)CCN[C@@H]1CCc2c1cccc2Br ZINC000491148085 406533395 /nfs/dbraw/zinc/53/33/95/406533395.db2.gz UNNLIPVOOUNURL-CQSZACIVSA-N 0 3 321.218 2.166 20 30 DEEDHN C=C(C)COc1cccc(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000635483515 406556974 /nfs/dbraw/zinc/55/69/74/406556974.db2.gz VPMJIBGQLUPDIF-RDJZCZTQSA-N 0 3 316.401 2.443 20 30 DEEDHN C#C[C@H](CC)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000491303770 406564388 /nfs/dbraw/zinc/56/43/88/406564388.db2.gz CDOHNURQIZPBSQ-OAHLLOKOSA-N 0 3 300.406 2.009 20 30 DEEDHN C#CCN1CCC(C(=O)NCCCNc2ccccc2F)CC1 ZINC000490949356 406510832 /nfs/dbraw/zinc/51/08/32/406510832.db2.gz KCQMUBKJFYULAB-UHFFFAOYSA-N 0 3 317.408 2.089 20 30 DEEDHN C#CC(C)(C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000491071860 406525014 /nfs/dbraw/zinc/52/50/14/406525014.db2.gz NYSJVMFDONRPIA-GHMZBOCLSA-N 0 3 304.356 2.423 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000491339803 406571906 /nfs/dbraw/zinc/57/19/06/406571906.db2.gz SOWHTLBDGSIGSW-MRXNPFEDSA-N 0 3 321.465 2.123 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC000635531690 406577247 /nfs/dbraw/zinc/57/72/47/406577247.db2.gz VOBOAUDDUOWBLS-INIZCTEOSA-N 0 3 304.438 2.237 20 30 DEEDHN C#CCNC(=O)C1CCN(CCc2ccccc2Cl)CC1 ZINC000491744880 406698997 /nfs/dbraw/zinc/69/89/97/406698997.db2.gz WOIVMVJJGMEWPN-UHFFFAOYSA-N 0 3 304.821 2.344 20 30 DEEDHN C#C[C@H](NC(=O)NC1CCN(CCOC(C)C)CC1)C(C)(C)C ZINC000491627351 406638615 /nfs/dbraw/zinc/63/86/15/406638615.db2.gz MGEMVWVYHGBKDM-INIZCTEOSA-N 0 3 323.481 2.223 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1NCCN1CCCCC1 ZINC000641292326 406746923 /nfs/dbraw/zinc/74/69/23/406746923.db2.gz AZMYZRURKYDWJP-UHFFFAOYSA-N 0 3 323.462 2.049 20 30 DEEDHN C#CCN1CCC(C(=O)OC[C@H]2CCCCN2C(C)C)CC1 ZINC000491771953 406710321 /nfs/dbraw/zinc/71/03/21/406710321.db2.gz RWVLYMWWPUMFPD-QGZVFWFLSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C)cc1OCC ZINC000491773894 406710357 /nfs/dbraw/zinc/71/03/57/406710357.db2.gz BPDLVOHZKRKNGA-UHFFFAOYSA-N 0 3 317.433 2.148 20 30 DEEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491784859 406719436 /nfs/dbraw/zinc/71/94/36/406719436.db2.gz QGVSEJKPTURNSN-OLZOCXBDSA-N 0 3 304.390 2.422 20 30 DEEDHN C#C[C@H](NC(=O)NCC1(SC)CCN(C)CC1)C(C)(C)C ZINC000491789383 406720605 /nfs/dbraw/zinc/72/06/05/406720605.db2.gz ZOJCZKVULFTARQ-ZDUSSCGKSA-N 0 3 311.495 2.161 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2cnn(C)c2)n1 ZINC000527719765 406727184 /nfs/dbraw/zinc/72/71/84/406727184.db2.gz JLAMYETYGHVZFU-FZMZJTMJSA-N 0 3 304.419 2.224 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1NC[C@H]1CCCN1CC ZINC000641255869 406730944 /nfs/dbraw/zinc/73/09/44/406730944.db2.gz KLBUAMSEDQJSNY-CQSZACIVSA-N 0 3 323.462 2.047 20 30 DEEDHN C=CCOCCNC[C@@H](O)COc1cccc2ccccc21 ZINC000644617851 407153806 /nfs/dbraw/zinc/15/38/06/407153806.db2.gz HBUUNMLHKMUFPC-MRXNPFEDSA-N 0 3 301.386 2.372 20 30 DEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330357016 287006344 /nfs/dbraw/zinc/00/63/44/287006344.db2.gz SJGPMMKHDLVGSX-ZIAGYGMSSA-N 0 3 320.437 2.483 20 30 DEEDHN N#Cc1ccc(N2CCCN(CCO)CC2)cc1C(F)(F)F ZINC000131571022 196180976 /nfs/dbraw/zinc/18/09/76/196180976.db2.gz USKKENNBVJBARF-UHFFFAOYSA-N 0 3 313.323 2.081 20 30 DEEDHN C[C@H](O)CN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000247421010 225232746 /nfs/dbraw/zinc/23/27/46/225232746.db2.gz YZNOMBANOBWJSV-CVEARBPZSA-N 0 3 315.461 2.375 20 30 DEEDHN C[C@H](NC(=O)c1ccccc1)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000330902794 226041169 /nfs/dbraw/zinc/04/11/69/226041169.db2.gz LIEHHJGJJANNQJ-IJEWVQPXSA-N 0 3 317.433 2.178 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC(C)(C)O)C1 ZINC000330994229 226051079 /nfs/dbraw/zinc/05/10/79/226051079.db2.gz VXNBEMHJJMQGNH-GDBMZVCRSA-N 0 3 319.449 2.439 20 30 DEEDHN CN(C)[C@@]1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCSC1 ZINC000333378918 226105610 /nfs/dbraw/zinc/10/56/10/226105610.db2.gz AXZAUQUTPXDNDT-CVEARBPZSA-N 0 3 307.463 2.014 20 30 DEEDHN CN(C)Cc1ccc(CNC(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000360077383 226834190 /nfs/dbraw/zinc/83/41/90/226834190.db2.gz YTPFUTHPLJVUTO-HOTGVXAUSA-N 0 3 300.406 2.240 20 30 DEEDHN Cc1cc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)ncc1C#N ZINC000603135209 422449345 /nfs/dbraw/zinc/44/93/45/422449345.db2.gz LUNSTXMNXMDDBI-QGZVFWFLSA-N 0 3 313.405 2.211 20 30 DEEDHN N#Cc1c[nH]nc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000601641429 422425763 /nfs/dbraw/zinc/42/57/63/422425763.db2.gz PDPDUYQEKVPHKI-AWEZNQCLSA-N 0 3 309.373 2.132 20 30 DEEDHN CN(C)Cc1ccccc1CNC(=O)Cc1ccc(C#N)cc1 ZINC000194838661 424878978 /nfs/dbraw/zinc/87/89/78/424878978.db2.gz NBNJAEOXINSWPN-UHFFFAOYSA-N 0 3 307.397 2.479 20 30 DEEDHN C=CC[C@@H](CC)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000374152217 424889279 /nfs/dbraw/zinc/88/92/79/424889279.db2.gz WJEOEZBYGLOINT-CYBMUJFWSA-N 0 3 305.426 2.626 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)C[C@@H](CO)C1 ZINC000420950780 424976766 /nfs/dbraw/zinc/97/67/66/424976766.db2.gz XJXJXHZJEZQJGH-JFIYKMOQSA-N 0 3 319.445 2.105 20 30 DEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](CC)OC[C@H]2CC)CC1 ZINC000650852823 425067001 /nfs/dbraw/zinc/06/70/01/425067001.db2.gz SKHMDDRWBSJGBS-HZPDHXFCSA-N 0 3 309.454 2.236 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@@H]2CCCOC2)CC1 ZINC000650851701 425067132 /nfs/dbraw/zinc/06/71/32/425067132.db2.gz AVOUAZVWJQXBSE-MRXNPFEDSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCN(C(=O)NC[C@H](C)N1CCCC[C@H]1C)[C@H](C)COC ZINC000663630302 425200916 /nfs/dbraw/zinc/20/09/16/425200916.db2.gz SJPKNCWFNFQBRU-OWCLPIDISA-N 0 3 311.470 2.482 20 30 DEEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000651725500 425144791 /nfs/dbraw/zinc/14/47/91/425144791.db2.gz GSJKKIPFHMDHPO-QLFBSQMISA-N 0 3 302.422 2.168 20 30 DEEDHN O=C(NCC#Cc1ccccc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654362378 425334041 /nfs/dbraw/zinc/33/40/41/425334041.db2.gz PGDKHMPYPQMFMM-ROUUACIJSA-N 0 3 311.429 2.354 20 30 DEEDHN C=CCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000661066285 425311168 /nfs/dbraw/zinc/31/11/68/425311168.db2.gz PJIJAFNQQJZMEU-KRWDZBQOSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC000654431308 425352456 /nfs/dbraw/zinc/35/24/56/425352456.db2.gz FFKQWMSHJUKPGC-UHFFFAOYSA-N 0 3 322.497 2.153 20 30 DEEDHN CCO[C@@H]1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528522825 267147179 /nfs/dbraw/zinc/14/71/79/267147179.db2.gz SXLCDIRRCVWMET-DJIMGWMZSA-N 0 3 318.417 2.045 20 30 DEEDHN CCO[C@@H]1CCN(C[C@H](O)COc2ccccc2C#N)C[C@H]1C ZINC000528522829 267148428 /nfs/dbraw/zinc/14/84/28/267148428.db2.gz SXLCDIRRCVWMET-HYVNUMGLSA-N 0 3 318.417 2.045 20 30 DEEDHN CC[C@H]1CCCCN1CCNc1ccc(C(=O)OC)nc1C#N ZINC000519638368 267226343 /nfs/dbraw/zinc/22/63/43/267226343.db2.gz BBUFVAJNOKOSHB-ZDUSSCGKSA-N 0 3 316.405 2.416 20 30 DEEDHN Cc1cc(C#N)ccc1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000308699926 267309709 /nfs/dbraw/zinc/30/97/09/267309709.db2.gz RZWUZPCIUJSHJK-UHFFFAOYSA-N 0 3 321.446 2.019 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)c1sccc1C#N ZINC000088250896 267398865 /nfs/dbraw/zinc/39/88/65/267398865.db2.gz FAYSUYSNMKSABA-UHFFFAOYSA-N 0 3 303.387 2.417 20 30 DEEDHN C=CCNC(=O)CN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661430426 425406940 /nfs/dbraw/zinc/40/69/40/425406940.db2.gz VLTNLGMWIVKHFB-KRWDZBQOSA-N 0 3 322.836 2.324 20 30 DEEDHN C[C@@H](Cn1cncn1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000657923658 425418949 /nfs/dbraw/zinc/41/89/49/425418949.db2.gz XNOWXNYKOAVCIY-LBPRGKRZSA-N 0 3 308.307 2.327 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)N1CC(C)C1)C(C)C ZINC000654781607 425440732 /nfs/dbraw/zinc/44/07/32/425440732.db2.gz KIGHVHARQPKJNS-DLBZAZTESA-N 0 3 307.482 2.141 20 30 DEEDHN C=CCN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H](C)COC ZINC000664783855 425452704 /nfs/dbraw/zinc/45/27/04/425452704.db2.gz JFTQZBYZMWOPTQ-GJZGRUSLSA-N 0 3 311.470 2.339 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664806798 425457331 /nfs/dbraw/zinc/45/73/31/425457331.db2.gz OUTFDVGNSWCPEK-JYJNAYRXSA-N 0 3 309.454 2.093 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@](C)(CO)OC)ccc1OC ZINC000655809033 425661060 /nfs/dbraw/zinc/66/10/60/425661060.db2.gz OSYWTVPNWDAYLH-KRWDZBQOSA-N 0 3 309.406 2.137 20 30 DEEDHN C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCN1 ZINC000420243287 274590844 /nfs/dbraw/zinc/59/08/44/274590844.db2.gz WPTPDMNVPMBTCY-QMMMGPOBSA-N 0 3 306.291 2.322 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](O)C23CCCC3)CC1 ZINC000330354045 275738463 /nfs/dbraw/zinc/73/84/63/275738463.db2.gz PDMKISJOXLPETE-INIZCTEOSA-N 0 3 321.465 2.320 20 30 DEEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000452011487 276467732 /nfs/dbraw/zinc/46/77/32/276467732.db2.gz DDGHQNSIEIENDN-RRFJBIMHSA-N 0 3 307.438 2.265 20 30 DEEDHN CCn1nccc1N1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1=O ZINC000193351654 276726431 /nfs/dbraw/zinc/72/64/31/276726431.db2.gz MQLQQQWKOWPSNP-ZNMIVQPWSA-N 0 3 315.421 2.070 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CCC(O)CC1)C(C)C ZINC000194305427 276890620 /nfs/dbraw/zinc/89/06/20/276890620.db2.gz NWUWOIGXMKYBED-JCYILVPMSA-N 0 3 308.466 2.352 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC000172200402 277852084 /nfs/dbraw/zinc/85/20/84/277852084.db2.gz LLYDQFZFKZDWHC-VQHPVUNQSA-N 0 3 306.450 2.369 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374396393 278149318 /nfs/dbraw/zinc/14/93/18/278149318.db2.gz YBQYHNDSCKACPO-OAGGEKHMSA-N 0 3 319.449 2.076 20 30 DEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC[C@@H]1CCCO1 ZINC000342565674 278203920 /nfs/dbraw/zinc/20/39/20/278203920.db2.gz HNHVGXDGTBHPBE-GJZGRUSLSA-N 0 3 307.438 2.218 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000374396395 279219099 /nfs/dbraw/zinc/21/90/99/279219099.db2.gz YBQYHNDSCKACPO-PMPSAXMXSA-N 0 3 319.449 2.076 20 30 DEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328707584 279295884 /nfs/dbraw/zinc/29/58/84/279295884.db2.gz LXAQMVXGTLHHKB-CABCVRRESA-N 0 3 309.454 2.324 20 30 DEEDHN C[S@](=O)CCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352796179 280179819 /nfs/dbraw/zinc/17/98/19/280179819.db2.gz KHEXNSACGGFHIR-FQEVSTJZSA-N 0 3 304.337 2.435 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCCO1 ZINC000068310111 281523665 /nfs/dbraw/zinc/52/36/65/281523665.db2.gz XLXRKDVRYCHHCW-QGZVFWFLSA-N 0 3 315.417 2.018 20 30 DEEDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000330218046 289035926 /nfs/dbraw/zinc/03/59/26/289035926.db2.gz OIDZIHDPGHJALZ-XLNGHYISSA-N 0 3 323.481 2.256 20 30 DEEDHN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C1=CCN(C)CC1 ZINC000329261272 289233936 /nfs/dbraw/zinc/23/39/36/289233936.db2.gz AVWLJSPYWSVVFZ-XZDPQHSOSA-N 0 3 307.438 2.098 20 30 DEEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000299563505 298365001 /nfs/dbraw/zinc/36/50/01/298365001.db2.gz GURXAVIKGDZWFM-CHWSQXEVSA-N 0 3 309.435 2.280 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(OC(C)C)n2)[C@H]1C ZINC001088948037 782070285 /nfs/dbraw/zinc/07/02/85/782070285.db2.gz IQCDMSNFNRMMRW-CABCVRRESA-N 0 3 315.417 2.085 20 30 DEEDHN C#CCN(C)CCCNC(=O)CCCCc1cccc(O)c1 ZINC001349899276 1151305288 /nfs/dbraw/zinc/30/52/88/1151305288.db2.gz BILUGUVLHSOYKX-UHFFFAOYSA-N 0 3 302.418 2.176 20 30 DEEDHN C#CCOc1cccc(NC(=O)NC[C@H]2CCCCN2C)c1 ZINC001350031158 1151317875 /nfs/dbraw/zinc/31/78/75/1151317875.db2.gz IKQRUEOXBKOQFR-OAHLLOKOSA-N 0 3 301.390 2.304 20 30 DEEDHN CCOC1(C)CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000323683855 325755036 /nfs/dbraw/zinc/75/50/36/325755036.db2.gz FMBJICZCVOXRTN-INIZCTEOSA-N 0 3 318.417 2.189 20 30 DEEDHN CN1CCC(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000266811431 333976125 /nfs/dbraw/zinc/97/61/25/333976125.db2.gz HNIFSHAFXBSCIU-UHFFFAOYSA-N 0 3 302.378 2.044 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)[C@H]1C ZINC001088987176 782100751 /nfs/dbraw/zinc/10/07/51/782100751.db2.gz NGIJNXIDCJPMKL-WBVHZDCISA-N 0 3 318.465 2.217 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCC2CCSCC2)CC1 ZINC000354797829 336482784 /nfs/dbraw/zinc/48/27/84/336482784.db2.gz XZNVLTPOOMEHIM-UHFFFAOYSA-N 0 3 311.495 2.469 20 30 DEEDHN Cc1nc(C)c(CNC[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000390174182 336934828 /nfs/dbraw/zinc/93/48/28/336934828.db2.gz QHTRXDBUSWMZDL-CQSZACIVSA-N 0 3 317.414 2.161 20 30 DEEDHN COC(=O)c1cccc(CN2CCN(C)C[C@H]2C(C)C)c1C#N ZINC000582542744 337107198 /nfs/dbraw/zinc/10/71/98/337107198.db2.gz WPKLEHCXCSSTKH-KRWDZBQOSA-N 0 3 315.417 2.117 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C#N)CC2)C1 ZINC000582941539 337220194 /nfs/dbraw/zinc/22/01/94/337220194.db2.gz VIBMHKPXDJATMN-GOEBONIOSA-N 0 3 312.417 2.425 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000392783036 337279926 /nfs/dbraw/zinc/27/99/26/337279926.db2.gz SGHXUKJMQWHEPS-UHFFFAOYSA-N 0 3 303.450 2.210 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000525950330 337305805 /nfs/dbraw/zinc/30/58/05/337305805.db2.gz YGZBMPPPMBANIA-SJLPKXTDSA-N 0 3 307.482 2.216 20 30 DEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000118270724 337850894 /nfs/dbraw/zinc/85/08/94/337850894.db2.gz WVUGMEPAMNUZKW-DLBZAZTESA-N 0 3 320.477 2.289 20 30 DEEDHN Cc1cccc(C)c1OC[C@@H](NCC(=O)NCC#N)C(C)(C)C ZINC000537220119 337925022 /nfs/dbraw/zinc/92/50/22/337925022.db2.gz MEUKFQDBKFBNDL-OAHLLOKOSA-N 0 3 317.433 2.326 20 30 DEEDHN CC(C#N)C(=O)N1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496319294 340002950 /nfs/dbraw/zinc/00/29/50/340002950.db2.gz DOJPJCOFYLRIGH-XQQFMLRXSA-N 0 3 309.410 2.155 20 30 DEEDHN CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496562309 340007846 /nfs/dbraw/zinc/00/78/46/340007846.db2.gz BPBOLRCVDRNNFI-OCCSQVGLSA-N 0 3 307.394 2.196 20 30 DEEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496765486 340012367 /nfs/dbraw/zinc/01/23/67/340012367.db2.gz FQGYLMNKFHYQNS-CABCVRRESA-N 0 3 310.438 2.378 20 30 DEEDHN COC(=O)N1CCC[C@H]([C@@H](C)NCC#Cc2ccccc2)C1 ZINC000496826965 340013983 /nfs/dbraw/zinc/01/39/83/340013983.db2.gz HYUPTARKZAKMBZ-WBVHZDCISA-N 0 3 300.402 2.495 20 30 DEEDHN CC(=NNC1=N[C@H](C)CN1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496840653 340014289 /nfs/dbraw/zinc/01/42/89/340014289.db2.gz QHKMOEYLXJPKBS-YPMHNXCESA-N 0 3 323.441 2.089 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CCCC1 ZINC000504111337 340141105 /nfs/dbraw/zinc/14/11/05/340141105.db2.gz UMGACOBTOVFRLK-IRXDYDNUSA-N 0 3 323.481 2.485 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000177718410 340442928 /nfs/dbraw/zinc/44/29/28/340442928.db2.gz QBQWALUBFANFRR-IAGOWNOFSA-N 0 3 320.477 2.432 20 30 DEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc2sccc2c1 ZINC000517025761 340461925 /nfs/dbraw/zinc/46/19/25/340461925.db2.gz JAMYVGMHGOKHLZ-OAHLLOKOSA-N 0 3 303.431 2.197 20 30 DEEDHN C[C@H](CNC(=O)N1CCC(CC#N)CC1)N1CCC[C@@H](C)C1 ZINC000542848173 341023483 /nfs/dbraw/zinc/02/34/83/341023483.db2.gz ZTNZILPEKDVXOM-HUUCEWRRSA-N 0 3 306.454 2.442 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000544487990 341084138 /nfs/dbraw/zinc/08/41/38/341084138.db2.gz PQUMKPCLTRUZHO-UHFFFAOYSA-N 0 3 314.429 2.416 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000545940028 341147326 /nfs/dbraw/zinc/14/73/26/341147326.db2.gz PURDNATYYCVMKP-CQSZACIVSA-N 0 3 318.417 2.332 20 30 DEEDHN CCO[C@H]1C[C@H](NCC(=O)NC2(C#N)CCCCC2)C12CCC2 ZINC000556295786 341500981 /nfs/dbraw/zinc/50/09/81/341500981.db2.gz HUKNEFSPRYZZBZ-GJZGRUSLSA-N 0 3 319.449 2.266 20 30 DEEDHN N#CCC[C@H](C#N)CNCCCn1cc(Br)cn1 ZINC000566933077 341572117 /nfs/dbraw/zinc/57/21/17/341572117.db2.gz UQTFGUHAZMCQKA-LLVKDONJSA-N 0 3 310.199 2.069 20 30 DEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1(C#N)CC1 ZINC000577570700 341918874 /nfs/dbraw/zinc/91/88/74/341918874.db2.gz VPKWRENHRPYBNX-UHFFFAOYSA-N 0 3 318.396 2.203 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000577587184 341920814 /nfs/dbraw/zinc/92/08/14/341920814.db2.gz OCRQPLIERODTFH-CABCVRRESA-N 0 3 319.792 2.473 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2OC)[C@H]1C ZINC001089024790 782122164 /nfs/dbraw/zinc/12/21/64/782122164.db2.gz WTCNMUXSWQADLG-ZBFHGGJFSA-N 0 3 302.418 2.393 20 30 DEEDHN C=CCCC(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001357066408 1152230994 /nfs/dbraw/zinc/23/09/94/1152230994.db2.gz AGPAIYMZCJIJGB-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC001330074903 1149045891 /nfs/dbraw/zinc/04/58/91/1149045891.db2.gz REGBQYDODYXDLM-HNNXBMFYSA-N 0 3 319.449 2.322 20 30 DEEDHN C=CC1CCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000111259318 500572962 /nfs/dbraw/zinc/57/29/62/500572962.db2.gz WFBVIUSKOJEBJY-CYBMUJFWSA-N 0 3 307.438 2.431 20 30 DEEDHN C[C@@H](O)CCCN1C[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001330202477 1149067751 /nfs/dbraw/zinc/06/77/51/1149067751.db2.gz IQRPYHFSWAURKE-HUUCEWRRSA-N 0 3 308.466 2.024 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)C2(CCOCC)CCC2)C(C)(C)C1 ZINC001330204176 1149068749 /nfs/dbraw/zinc/06/87/49/1149068749.db2.gz QZNSHEKPUDXGDS-MRXNPFEDSA-N 0 3 320.477 2.433 20 30 DEEDHN CCO[C@@H](CC)C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)s1 ZINC001378744828 1152433063 /nfs/dbraw/zinc/43/30/63/1152433063.db2.gz SBKJMDIXAGSDBI-WFASDCNBSA-N 0 3 323.462 2.371 20 30 DEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccccc1OCC#N ZINC000247566094 533899626 /nfs/dbraw/zinc/89/96/26/533899626.db2.gz ZZOIAHCACLJDOC-DZGCQCFKSA-N 0 3 301.390 2.001 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](F)c3ccccc3)[C@@H]2C1 ZINC001330338843 1149094384 /nfs/dbraw/zinc/09/43/84/1149094384.db2.gz HSNUPJDWYZKPIT-WCXIOVBPSA-N 0 3 300.377 2.015 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)Cc3ccccc3)[C@@H]2C1 ZINC001330340563 1149095212 /nfs/dbraw/zinc/09/52/12/1149095212.db2.gz SUQYGKRXZFVQEW-CADBVGFASA-N 0 3 310.441 2.183 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](CC(C)C)OC)C1 ZINC001449382592 1185690373 /nfs/dbraw/zinc/69/03/73/1185690373.db2.gz FQCDVBZCGWWXTN-JXQTWKCFSA-N 0 3 302.846 2.379 20 30 DEEDHN C[C@@](NCCCC1(C#N)CCOCC1)(C(N)=O)c1ccccc1 ZINC000337148396 534261179 /nfs/dbraw/zinc/26/11/79/534261179.db2.gz GYSPKVSXDXHJPG-KRWDZBQOSA-N 0 3 315.417 2.077 20 30 DEEDHN CC(=O)NC[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000155779983 519673551 /nfs/dbraw/zinc/67/35/51/519673551.db2.gz RGACAIBFFSTYBG-QGZVFWFLSA-N 0 3 315.417 2.175 20 30 DEEDHN N#CC1CCC(CNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000333014100 534580985 /nfs/dbraw/zinc/58/09/85/534580985.db2.gz BQIOOORLBKYQTM-UHFFFAOYSA-N 0 3 304.438 2.242 20 30 DEEDHN C[C@@H]1CN(CC2CCN(c3ccncc3C#N)CC2)C[C@@H](C)O1 ZINC000363813844 524937216 /nfs/dbraw/zinc/93/72/16/524937216.db2.gz FBYSQKBMVQPZKA-HUUCEWRRSA-N 0 3 314.433 2.279 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](c3ccco3)C2)CC1 ZINC000376223595 526429684 /nfs/dbraw/zinc/42/96/84/526429684.db2.gz BFXXCHAYHNWFNA-CQSZACIVSA-N 0 3 303.406 2.429 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2OC)CC1 ZINC000340968703 526590231 /nfs/dbraw/zinc/59/02/31/526590231.db2.gz CVIDWNDSKNVQRY-GOEBONIOSA-N 0 3 309.454 2.141 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000376347788 526594494 /nfs/dbraw/zinc/59/44/94/526594494.db2.gz BOCBTAPWNSDZDE-AEFFLSMTSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCNC(=O)Nc1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000262404672 526617273 /nfs/dbraw/zinc/61/72/73/526617273.db2.gz AUKYFKNUZDKGBP-UHFFFAOYSA-N 0 3 302.378 2.204 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000245460232 526626556 /nfs/dbraw/zinc/62/65/56/526626556.db2.gz VQPOVPRVBQQILV-IAGOWNOFSA-N 0 3 315.461 2.274 20 30 DEEDHN C#CCCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000296697775 526738982 /nfs/dbraw/zinc/73/89/82/526738982.db2.gz DSLJZGMWRGSKML-YJBOKZPZSA-N 0 3 312.413 2.255 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000292701268 526772854 /nfs/dbraw/zinc/77/28/54/526772854.db2.gz DGHUUBKYGYCILB-HNNXBMFYSA-N 0 3 307.369 2.224 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](c2ccccc2C)C1 ZINC000296852443 526811272 /nfs/dbraw/zinc/81/12/72/526811272.db2.gz KBUYGSNYIIXGRO-KRWDZBQOSA-N 0 3 313.445 2.449 20 30 DEEDHN C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000294906605 526855665 /nfs/dbraw/zinc/85/56/65/526855665.db2.gz JPELIPXXUOAXCH-MRXNPFEDSA-N 0 3 302.418 2.347 20 30 DEEDHN C=CCOc1ccc(CN[C@H](CO)CC(F)F)cc1OC ZINC000428654803 526890789 /nfs/dbraw/zinc/89/07/89/526890789.db2.gz ZJVVBRDRPMTLRG-LBPRGKRZSA-N 0 3 301.333 2.366 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H](C)COc2cccc(F)c2)CC1 ZINC000299370325 526929985 /nfs/dbraw/zinc/92/99/85/526929985.db2.gz VNBGDNVFDIBGNB-CQSZACIVSA-N 0 3 318.392 2.054 20 30 DEEDHN C=CC(C)(C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000295655532 526945952 /nfs/dbraw/zinc/94/59/52/526945952.db2.gz HAUNFUAOMOJHDG-INIZCTEOSA-N 0 3 302.418 2.082 20 30 DEEDHN C#CCOCCC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374256770 527067148 /nfs/dbraw/zinc/06/71/48/527067148.db2.gz KPKPVSCLPSGPDX-LJQANCHMSA-N 0 3 314.429 2.055 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000343815197 527290550 /nfs/dbraw/zinc/29/05/50/527290550.db2.gz XTVXOPUITNPSHP-JKSUJKDBSA-N 0 3 311.470 2.123 20 30 DEEDHN C=CCn1c(C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000337874427 527299870 /nfs/dbraw/zinc/29/98/70/527299870.db2.gz XOPFXILFBSAETH-UHFFFAOYSA-N 0 3 303.454 2.473 20 30 DEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000297618673 527341421 /nfs/dbraw/zinc/34/14/21/527341421.db2.gz XJTCTKLTXXEZFZ-WFASDCNBSA-N 0 3 305.447 2.332 20 30 DEEDHN C=CCn1c([C@@H]2CCCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000350730784 527351541 /nfs/dbraw/zinc/35/15/41/527351541.db2.gz VXTFYIMYGWYQTB-ZNMIVQPWSA-N 0 3 319.453 2.235 20 30 DEEDHN C=CCCO[C@@H](C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370503640 527376857 /nfs/dbraw/zinc/37/68/57/527376857.db2.gz WBOYQIWBQPPLDE-GJZGRUSLSA-N 0 3 318.417 2.323 20 30 DEEDHN Cc1nccn1CCCN(C)CC(=O)Nc1sccc1C#N ZINC000130855811 527407468 /nfs/dbraw/zinc/40/74/68/527407468.db2.gz IUFWHZUFBIPFQP-UHFFFAOYSA-N 0 3 317.418 2.085 20 30 DEEDHN C=CCC[C@H](O)CN1C[C@H](C)N(C[C@@H](O)CCC=C)C[C@H]1C ZINC000441907525 527493126 /nfs/dbraw/zinc/49/31/26/527493126.db2.gz WKRROVYKPASSTP-MHORFTMASA-N 0 3 310.482 2.035 20 30 DEEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)C#N)c2)CC1 ZINC000348864339 529046138 /nfs/dbraw/zinc/04/61/38/529046138.db2.gz DAMJPGYUIMTJGU-CQSZACIVSA-N 0 3 300.406 2.315 20 30 DEEDHN CC[C@H](C)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000452416326 535842695 /nfs/dbraw/zinc/84/26/95/535842695.db2.gz DKQWVQAKONYBGD-IAOVAPTHSA-N 0 3 313.401 2.418 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451602630 536645668 /nfs/dbraw/zinc/64/56/68/536645668.db2.gz IZVXACHBFBUMON-AEFFLSMTSA-N 0 3 300.402 2.454 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)COC(C)(C)C)C2 ZINC001327523508 1148578092 /nfs/dbraw/zinc/57/80/92/1148578092.db2.gz CEMDMAMUZNXLHM-GOSISDBHSA-N 0 3 306.450 2.139 20 30 DEEDHN C=CCOc1ccc(CC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000835065244 649874416 /nfs/dbraw/zinc/87/44/16/649874416.db2.gz NTOMXFDAKLLNLC-OAHLLOKOSA-N 0 3 300.358 2.027 20 30 DEEDHN C#CCN[C@@]1(CO)CCCN(C(=O)CC2(C=C)CCCCC2)C1 ZINC001327594827 1148594457 /nfs/dbraw/zinc/59/44/57/1148594457.db2.gz HYUPMOVITFQLGS-IBGZPJMESA-N 0 3 318.461 2.089 20 30 DEEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001327607094 1148597156 /nfs/dbraw/zinc/59/71/56/1148597156.db2.gz JZOGADQMAUSMOM-IBGZPJMESA-N 0 3 320.477 2.313 20 30 DEEDHN N#Cc1cc(Cl)nc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC001120907655 782185640 /nfs/dbraw/zinc/18/56/40/782185640.db2.gz MVNBSGZFRABFGS-ZDUSSCGKSA-N 0 3 306.797 2.272 20 30 DEEDHN COc1ccc(C#N)cc1CNC[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC001379352112 1152613740 /nfs/dbraw/zinc/61/37/40/1152613740.db2.gz LIQBLRFNBOEYKT-IUODEOHRSA-N 0 3 315.417 2.207 20 30 DEEDHN C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)c1cc(C#N)c[nH]1 ZINC001379362251 1152615168 /nfs/dbraw/zinc/61/51/68/1152615168.db2.gz QWEOEXQLDYEATJ-VXGBXAGGSA-N 0 3 314.364 2.495 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819723100 599540880 /nfs/dbraw/zinc/54/08/80/599540880.db2.gz YQSGGVWGEGRJEW-UHFFFAOYSA-N 0 3 316.384 2.458 20 30 DEEDHN C=C(C)C[NH+]1CCC(Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819723100 599540882 /nfs/dbraw/zinc/54/08/82/599540882.db2.gz YQSGGVWGEGRJEW-UHFFFAOYSA-N 0 3 316.384 2.458 20 30 DEEDHN Cc1cccc(C)c1OCCN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001379641014 1152661373 /nfs/dbraw/zinc/66/13/73/1152661373.db2.gz NJPVTGPZYHEPRL-JKSUJKDBSA-N 0 3 317.433 2.278 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(O)CCCC1 ZINC000819745475 606577266 /nfs/dbraw/zinc/57/72/66/606577266.db2.gz FPRZWAUCOBSOOI-UHFFFAOYSA-N 0 3 313.405 2.160 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(O)CCCC1 ZINC000819745475 606577268 /nfs/dbraw/zinc/57/72/68/606577268.db2.gz FPRZWAUCOBSOOI-UHFFFAOYSA-N 0 3 313.405 2.160 20 30 DEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1(O)CCCC1 ZINC000819745475 606577264 /nfs/dbraw/zinc/57/72/64/606577264.db2.gz FPRZWAUCOBSOOI-UHFFFAOYSA-N 0 3 313.405 2.160 20 30 DEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1(O)CCCC1 ZINC000819745475 606577269 /nfs/dbraw/zinc/57/72/69/606577269.db2.gz FPRZWAUCOBSOOI-UHFFFAOYSA-N 0 3 313.405 2.160 20 30 DEEDHN C=CC[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823888751 609339092 /nfs/dbraw/zinc/33/90/92/609339092.db2.gz VKJXDQOQHVWBOA-GFCCVEGCSA-N 0 3 323.404 2.321 20 30 DEEDHN C=CC[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823888751 609339094 /nfs/dbraw/zinc/33/90/94/609339094.db2.gz VKJXDQOQHVWBOA-GFCCVEGCSA-N 0 3 323.404 2.321 20 30 DEEDHN N#CCC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826381030 609428951 /nfs/dbraw/zinc/42/89/51/609428951.db2.gz VMAFTLNITPBICF-UHFFFAOYSA-N 0 3 300.341 2.131 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001381189550 1152942956 /nfs/dbraw/zinc/94/29/56/1152942956.db2.gz DRIZXSIIUFMGOG-RYUDHWBXSA-N 0 3 310.829 2.067 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3cccnc32)C1 ZINC001023471943 625284936 /nfs/dbraw/zinc/28/49/36/625284936.db2.gz NINZXTQJWWZTRP-OAHLLOKOSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccnc3ccccc32)C1 ZINC001023474990 625286735 /nfs/dbraw/zinc/28/67/35/625286735.db2.gz MEVTTWYRHVTRJE-HNNXBMFYSA-N 0 3 307.397 2.310 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cnnc(C)c1 ZINC001025228616 625287903 /nfs/dbraw/zinc/28/79/03/625287903.db2.gz ZJJUWSJNRYPCPS-IAGOWNOFSA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nn(C)cc1C ZINC001025229278 625289115 /nfs/dbraw/zinc/28/91/15/625289115.db2.gz IJYLOHVTFOUUDF-CVEARBPZSA-N 0 3 316.449 2.374 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001023481934 625290626 /nfs/dbraw/zinc/29/06/26/625290626.db2.gz TULOUEFGXMCZAT-INIZCTEOSA-N 0 3 309.413 2.404 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccnnc1C ZINC001025246802 625303624 /nfs/dbraw/zinc/30/36/24/625303624.db2.gz HPLOBUKIPIWFOW-SJORKVTESA-N 0 3 314.433 2.430 20 30 DEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001025268459 625315449 /nfs/dbraw/zinc/31/54/49/625315449.db2.gz ZKJVOJWEHTXOHI-HUUCEWRRSA-N 0 3 318.396 2.031 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cscn1 ZINC001025276235 625320696 /nfs/dbraw/zinc/32/06/96/625320696.db2.gz HMWDGNUMGNZCTJ-CVEARBPZSA-N 0 3 317.458 2.164 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)COC3)C1 ZINC001023646669 625371030 /nfs/dbraw/zinc/37/10/30/625371030.db2.gz PKXWWMYOJDYZBF-OAHLLOKOSA-N 0 3 312.413 2.182 20 30 DEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1cc(C#N)ccc1F ZINC000893283932 625386833 /nfs/dbraw/zinc/38/68/33/625386833.db2.gz APSDKZXNYDNCRZ-HOTGVXAUSA-N 0 3 316.380 2.075 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2cnc(C3CC3)s2)C1 ZINC001023710682 625394382 /nfs/dbraw/zinc/39/43/82/625394382.db2.gz PKLAIEWMESSJPO-GFCCVEGCSA-N 0 3 303.431 2.096 20 30 DEEDHN C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001025382072 625394403 /nfs/dbraw/zinc/39/44/03/625394403.db2.gz SAZWQMIQMMGZAU-GSBHKFGHSA-N 0 3 320.824 2.469 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)noc2CCC)C1 ZINC001025414510 625414239 /nfs/dbraw/zinc/41/42/39/625414239.db2.gz PNKCQYNGGVTSGM-UKRRQHHQSA-N 0 3 317.433 2.399 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC000972662309 625416169 /nfs/dbraw/zinc/41/61/69/625416169.db2.gz MKDDENHLMRSXGG-LBPRGKRZSA-N 0 3 313.323 2.433 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001025419625 625419100 /nfs/dbraw/zinc/41/91/00/625419100.db2.gz NLUBLFWJJCZYCW-CABCVRRESA-N 0 3 316.449 2.072 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001023743547 625418552 /nfs/dbraw/zinc/41/85/52/625418552.db2.gz CLXQHTRBKHOAHL-AWEZNQCLSA-N 0 3 303.406 2.011 20 30 DEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]nc2CCC)C1 ZINC001025466061 625459146 /nfs/dbraw/zinc/45/91/46/625459146.db2.gz ZSXPDKOURCWOLX-CABCVRRESA-N 0 3 316.449 2.216 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccnc2C2CC2)C1 ZINC001025469922 625464679 /nfs/dbraw/zinc/46/46/79/625464679.db2.gz RVUYBCOTDXQKSY-HOCLYGCPSA-N 0 3 311.429 2.423 20 30 DEEDHN N#Cc1ccccc1CNC[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC001023868069 625465425 /nfs/dbraw/zinc/46/54/25/625465425.db2.gz GXYMDMGUIDQWEM-AWEZNQCLSA-N 0 3 324.384 2.188 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC001023896311 625470423 /nfs/dbraw/zinc/47/04/23/625470423.db2.gz ZGRDZGOCWWSCQB-CHWSQXEVSA-N 0 3 316.405 2.040 20 30 DEEDHN Cc1nc(CNC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001023896137 625470247 /nfs/dbraw/zinc/47/02/47/625470247.db2.gz XZJVLGYIWDWCRB-SMDDNHRTSA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001025482623 625474260 /nfs/dbraw/zinc/47/42/60/625474260.db2.gz QBTWSLPBXCHYLN-XJKSGUPXSA-N 0 3 324.428 2.335 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccn3ccnc3c2)C1 ZINC001025483293 625475658 /nfs/dbraw/zinc/47/56/58/625475658.db2.gz XITFRTUODXBUKI-DOTOQJQBSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(F)c2F)C1 ZINC001025516748 625496063 /nfs/dbraw/zinc/49/60/63/625496063.db2.gz VWSJARUHZPXKMJ-OLZOCXBDSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccn(C)c2CC)C1 ZINC001025530889 625511995 /nfs/dbraw/zinc/51/19/95/625511995.db2.gz MKYPVWBUKBKJKI-CABCVRRESA-N 0 3 301.434 2.051 20 30 DEEDHN C#CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCN(CC#C)C2)cc1 ZINC001025549248 625529072 /nfs/dbraw/zinc/52/90/72/625529072.db2.gz MSYNIKSEVNOTQO-FUHWJXTLSA-N 0 3 324.424 2.162 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3cccnn32)C1 ZINC001025553652 625538011 /nfs/dbraw/zinc/53/80/11/625538011.db2.gz YZPIFQCIDNDDJE-HZPDHXFCSA-N 0 3 324.428 2.188 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc3cccnn32)C1 ZINC001025553653 625538084 /nfs/dbraw/zinc/53/80/84/625538084.db2.gz YZPIFQCIDNDDJE-JKSUJKDBSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001025554466 625540457 /nfs/dbraw/zinc/54/04/57/625540457.db2.gz FOARLYCHWTVKDN-SWLSCSKDSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001025560239 625553514 /nfs/dbraw/zinc/55/35/14/625553514.db2.gz BQTDJSDZVSNUPD-RDJZCZTQSA-N 0 3 314.429 2.467 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ncccc1OC ZINC000969127519 622581710 /nfs/dbraw/zinc/58/17/10/622581710.db2.gz YUOIZMUOCIAZGA-AWEZNQCLSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC000969130607 622582873 /nfs/dbraw/zinc/58/28/73/622582873.db2.gz NFGSJXOYXULUCJ-DLBZAZTESA-N 0 3 313.445 2.343 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)C1 ZINC001020406211 622603948 /nfs/dbraw/zinc/60/39/48/622603948.db2.gz NDWSTBAIYUSKER-AVNXNWIJSA-N 0 3 322.840 2.065 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001020455230 622680608 /nfs/dbraw/zinc/68/06/08/622680608.db2.gz GMEQFCQMAKQNRT-IIAWOOMASA-N 0 3 320.820 2.290 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001020527531 622766138 /nfs/dbraw/zinc/76/61/38/622766138.db2.gz LGMSBHFTEDSRHE-XDQVBPFNSA-N 0 3 300.830 2.181 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnn(C3CCC3)c2)C1 ZINC000969657252 622864548 /nfs/dbraw/zinc/86/45/48/622864548.db2.gz AXRCMHCZGWSUPP-CYBMUJFWSA-N 0 3 302.422 2.234 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000969659792 622871283 /nfs/dbraw/zinc/87/12/83/622871283.db2.gz KLCIWJPUQNSXHO-HIFRSBDPSA-N 0 3 313.873 2.048 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ncoc2C2CC2)C1 ZINC001025590872 625603185 /nfs/dbraw/zinc/60/31/85/625603185.db2.gz TYOUADAEEMNGJC-JSGCOSHPSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC000969773452 622916527 /nfs/dbraw/zinc/91/65/27/622916527.db2.gz XRELCDJLHAEFSO-CQSZACIVSA-N 0 3 314.433 2.072 20 30 DEEDHN C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@H]2CCCN2CCC)C1 ZINC000969797151 622924564 /nfs/dbraw/zinc/92/45/64/622924564.db2.gz NNFUCGKFAMCAMY-UKRRQHHQSA-N 0 3 313.873 2.050 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000969838021 622943447 /nfs/dbraw/zinc/94/34/47/622943447.db2.gz WHCMDNDISZOPJD-HNNXBMFYSA-N 0 3 324.428 2.499 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2nc(C)c(C)nc2C)C1 ZINC000970114460 623140348 /nfs/dbraw/zinc/14/03/48/623140348.db2.gz WINCWMWTOOPNED-CYBMUJFWSA-N 0 3 302.422 2.028 20 30 DEEDHN Cc1cc(C(=O)N2CC[C@H](CNCc3ccccc3C#N)C2)no1 ZINC001026669645 625629061 /nfs/dbraw/zinc/62/90/61/625629061.db2.gz GAQNAIVLMQPEAE-CQSZACIVSA-N 0 3 324.384 2.107 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2OC)C1 ZINC001025602776 625628155 /nfs/dbraw/zinc/62/81/55/625628155.db2.gz LLBJONUVURPJEV-GJZGRUSLSA-N 0 3 300.402 2.159 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001020925181 623190181 /nfs/dbraw/zinc/19/01/81/623190181.db2.gz JJXSKUZFZCKFES-HDJSIYSDSA-N 0 3 312.841 2.183 20 30 DEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC001020961580 623214317 /nfs/dbraw/zinc/21/43/17/623214317.db2.gz MXMNLVHNPFWLKD-SHTZXODSSA-N 0 3 315.417 2.350 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(OC)cccc2OC)C1 ZINC001020974606 623231263 /nfs/dbraw/zinc/23/12/63/623231263.db2.gz VBKCRZPDXOIYPO-HAQNSBGRSA-N 0 3 324.808 2.307 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000970497669 623481697 /nfs/dbraw/zinc/48/16/97/623481697.db2.gz UHZGMSVHQIVUCT-YJBOKZPZSA-N 0 3 310.441 2.251 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC000970519619 623517692 /nfs/dbraw/zinc/51/76/92/623517692.db2.gz XSXDPIWEMVELFP-OAHLLOKOSA-N 0 3 314.429 2.467 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)nc2OC)C1 ZINC000970536542 623526459 /nfs/dbraw/zinc/52/64/59/623526459.db2.gz TWUCVVSNQJCPGP-CYBMUJFWSA-N 0 3 303.406 2.025 20 30 DEEDHN CS[C@H](C)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026699405 625657745 /nfs/dbraw/zinc/65/77/45/625657745.db2.gz AWNKMTCDUGJFDL-ZIAGYGMSSA-N 0 3 317.458 2.248 20 30 DEEDHN C#CCCN1CC([C@H](C)NC(=O)c2sc(CC)nc2C)C1 ZINC000970578380 623554429 /nfs/dbraw/zinc/55/44/29/623554429.db2.gz XKYKYKAMJMOUCS-NSHDSACASA-N 0 3 305.447 2.087 20 30 DEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000970585810 623557708 /nfs/dbraw/zinc/55/77/08/623557708.db2.gz IDNRMZVFSWLRIV-HNNXBMFYSA-N 0 3 324.428 2.499 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC000970775970 623676499 /nfs/dbraw/zinc/67/64/99/623676499.db2.gz XFEPKZKIEZXYEJ-WBVHZDCISA-N 0 3 300.402 2.013 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)o2)C1 ZINC001021525888 623704112 /nfs/dbraw/zinc/70/41/12/623704112.db2.gz HZBSHIWNWHIMGG-QWHCGFSZSA-N 0 3 306.793 2.493 20 30 DEEDHN C=C(Cl)CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001021550866 623738019 /nfs/dbraw/zinc/73/80/19/623738019.db2.gz MVEPOSKHYXHLGG-HIFRSBDPSA-N 0 3 322.840 2.018 20 30 DEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC000970873419 623754274 /nfs/dbraw/zinc/75/42/74/623754274.db2.gz PRVPJVBSQURMDR-CZUORRHYSA-N 0 3 304.821 2.342 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccoc2CC)C1 ZINC001021575110 623779141 /nfs/dbraw/zinc/77/91/41/623779141.db2.gz HGZOAYFZWPRBSJ-GDBMZVCRSA-N 0 3 300.402 2.402 20 30 DEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC(F)(F)C2)C1 ZINC001021616281 623836457 /nfs/dbraw/zinc/83/64/57/623836457.db2.gz LPYXJPCKVDMOIP-LSDHHAIUSA-N 0 3 310.388 2.368 20 30 DEEDHN CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(OC)c(C#N)c2)C1 ZINC000970968101 623850043 /nfs/dbraw/zinc/85/00/43/623850043.db2.gz HQCQMNWMIQGQPC-MRXNPFEDSA-N 0 3 315.417 2.400 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2N(C)C)C1 ZINC000970969818 623854024 /nfs/dbraw/zinc/85/40/24/623854024.db2.gz VASRPOXAIQFASY-CQSZACIVSA-N 0 3 301.434 2.379 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001021633422 623865824 /nfs/dbraw/zinc/86/58/24/623865824.db2.gz QSSGVKOSVNJADC-KSSFIOAISA-N 0 3 322.412 2.123 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3ncccc3o2)C1 ZINC001021637088 623873932 /nfs/dbraw/zinc/87/39/32/623873932.db2.gz XKOQZOXSVIGDAL-HOCLYGCPSA-N 0 3 323.396 2.388 20 30 DEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)c[nH]2)C1 ZINC001021637431 623877908 /nfs/dbraw/zinc/87/79/08/623877908.db2.gz CTTWIEZCRGZGIW-CJNGLKHVSA-N 0 3 303.381 2.104 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(F)c[nH]2)C1 ZINC001021637434 623878254 /nfs/dbraw/zinc/87/82/54/623878254.db2.gz CTTWIEZCRGZGIW-XJKSGUPXSA-N 0 3 303.381 2.104 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C)c(C)cn2)C1 ZINC001021640853 623883801 /nfs/dbraw/zinc/88/38/01/623883801.db2.gz YIVHZWUQXQBGON-WMZOPIPTSA-N 0 3 311.429 2.258 20 30 DEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2csc(C)n2)C1 ZINC001021660360 623915050 /nfs/dbraw/zinc/91/50/50/623915050.db2.gz YTFKTXKSNQMUIA-HIFRSBDPSA-N 0 3 303.431 2.011 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000971074546 623973977 /nfs/dbraw/zinc/97/39/77/623973977.db2.gz HEBCVMVPFAZGEQ-QGZVFWFLSA-N 0 3 309.369 2.498 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C)n(C)c2C)C1 ZINC001021731499 624011779 /nfs/dbraw/zinc/01/17/79/624011779.db2.gz WCVXRVWNNUEVRO-SJLPKXTDSA-N 0 3 313.445 2.202 20 30 DEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971337488 624107952 /nfs/dbraw/zinc/10/79/52/624107952.db2.gz MEFJEXPBLYOIOQ-GOSISDBHSA-N 0 3 322.412 2.243 20 30 DEEDHN CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971506968 624177308 /nfs/dbraw/zinc/17/73/08/624177308.db2.gz CUAGUUVVKJHGOB-KRWDZBQOSA-N 0 3 300.377 2.272 20 30 DEEDHN CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971506969 624177426 /nfs/dbraw/zinc/17/74/26/624177426.db2.gz CUAGUUVVKJHGOB-QGZVFWFLSA-N 0 3 300.377 2.272 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC000971536914 624181112 /nfs/dbraw/zinc/18/11/12/624181112.db2.gz HIBZGOCIESVEIQ-GDBMZVCRSA-N 0 3 318.392 2.096 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001022060293 624187186 /nfs/dbraw/zinc/18/71/86/624187186.db2.gz UTFCLRHRZGLLDF-TXEJJXNPSA-N 0 3 310.829 2.146 20 30 DEEDHN N=C(N)NN=Cc1ccc(Br)c(Br)c1 ZINC000308459887 624200817 /nfs/dbraw/zinc/20/08/17/624200817.db2.gz VMYFCUKMGMFQNH-UHFFFAOYSA-N 0 3 319.988 2.029 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC000971679445 624502130 /nfs/dbraw/zinc/50/21/30/624502130.db2.gz UIZRUZZDVHELLX-CQSZACIVSA-N 0 3 311.385 2.273 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC000971707064 624512323 /nfs/dbraw/zinc/51/23/23/624512323.db2.gz RPGTZDHMFFDJMA-WBVHZDCISA-N 0 3 313.445 2.329 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3-n3cccc3)[C@@H]2C1 ZINC000978667071 634388633 /nfs/dbraw/zinc/38/86/33/634388633.db2.gz LHDWEDLXCVSIQO-NNZMDNLPSA-N 0 3 319.408 2.018 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)ncn3C)C[C@H]1C ZINC000947464140 624540326 /nfs/dbraw/zinc/54/03/26/624540326.db2.gz RMQDTOCVEXIFJW-UKRRQHHQSA-N 0 3 312.417 2.342 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001022282149 624549802 /nfs/dbraw/zinc/54/98/02/624549802.db2.gz QVZVEWVGWZGTQA-RTXFEEFZSA-N 0 3 322.840 2.068 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccnn2-c2ccccc2)C1 ZINC000971803629 624580448 /nfs/dbraw/zinc/58/04/48/624580448.db2.gz QJVKLCRPNRGHNS-MRXNPFEDSA-N 0 3 310.401 2.205 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc3c2CCOC3)C1 ZINC001022414838 624643351 /nfs/dbraw/zinc/64/33/51/624643351.db2.gz JYLXKILFMOUXFB-OKILXGFUSA-N 0 3 320.820 2.362 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001022520614 624708096 /nfs/dbraw/zinc/70/80/96/624708096.db2.gz AVALHJAVRNGNHK-BETUJISGSA-N 0 3 316.792 2.233 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC000971998279 624762542 /nfs/dbraw/zinc/76/25/42/624762542.db2.gz OTAIDKPOJFRPMQ-CYBMUJFWSA-N 0 3 300.362 2.002 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000848431047 624768934 /nfs/dbraw/zinc/76/89/34/624768934.db2.gz KDKWNAUKDUJSAA-MNOVXSKESA-N 0 3 306.237 2.488 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001022607341 624780495 /nfs/dbraw/zinc/78/04/95/624780495.db2.gz VJXMCOQYDHSMNY-FIQHERPVSA-N 0 3 319.218 2.270 20 30 DEEDHN Cc1cc(COC(=O)C2CCCN(C3CC3)C2=O)ccc1C#N ZINC000924059678 624790771 /nfs/dbraw/zinc/79/07/71/624790771.db2.gz QOKVYFXXMGUFTH-INIZCTEOSA-N 0 3 312.369 2.311 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(F)ccc(F)c3Cl)[C@@H]2C1 ZINC000978754700 634411641 /nfs/dbraw/zinc/41/16/41/634411641.db2.gz PJRUTJGTZPSWCT-RTCCRHLQSA-N 0 3 324.758 2.159 20 30 DEEDHN COC(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000934412923 624875461 /nfs/dbraw/zinc/87/54/61/624875461.db2.gz NERTZKHSJYWNDK-JKSUJKDBSA-N 0 3 314.385 2.217 20 30 DEEDHN COc1cccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000051652007 624879043 /nfs/dbraw/zinc/87/90/43/624879043.db2.gz GDSIAFNDTQPDBF-INIZCTEOSA-N 0 3 314.385 2.395 20 30 DEEDHN COc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000051651262 624879376 /nfs/dbraw/zinc/87/93/76/624879376.db2.gz IIRNJKXQHLVIQL-CQSZACIVSA-N 0 3 300.358 2.005 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(F)ccc3Cl)[C@@H]2C1 ZINC000978807679 634425502 /nfs/dbraw/zinc/42/55/02/634425502.db2.gz MUDLKYNRRWRXEH-ZSOGYDGISA-N 0 3 306.768 2.020 20 30 DEEDHN CO[C@H](C)C(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024890005 625096601 /nfs/dbraw/zinc/09/66/01/625096601.db2.gz ANAMQCBNQZFABT-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)nc1 ZINC001022991103 625127359 /nfs/dbraw/zinc/12/73/59/625127359.db2.gz XPUWQIATRQLNHM-IYBDPMFKSA-N 0 3 323.371 2.253 20 30 DEEDHN Cc1c(C(=O)OC[C@H](C)N2CCCCC2)cnn1CCC#N ZINC000893133623 625133188 /nfs/dbraw/zinc/13/31/88/625133188.db2.gz JSQSSQHABISEII-ZDUSSCGKSA-N 0 3 304.394 2.136 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cccc4c3ccn4C)[C@@H]2C1 ZINC000978847973 634437860 /nfs/dbraw/zinc/43/78/60/634437860.db2.gz RMVQZTLYXIIKPC-NNZMDNLPSA-N 0 3 321.424 2.109 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(OC)ccc2OC)C1 ZINC001023072655 625149484 /nfs/dbraw/zinc/14/94/84/625149484.db2.gz YCNTYUDOCZPMIZ-TXEJJXNPSA-N 0 3 324.808 2.307 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2scnc2Cl)C1 ZINC001023097574 625155835 /nfs/dbraw/zinc/15/58/35/625155835.db2.gz KINYGAMITCOAQJ-OCAPTIKFSA-N 0 3 306.218 2.399 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001025039465 625156149 /nfs/dbraw/zinc/15/61/49/625156149.db2.gz NWCVSEOJILXTQJ-AWEZNQCLSA-N 0 3 319.453 2.186 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001026147543 625156614 /nfs/dbraw/zinc/15/66/14/625156614.db2.gz QLEDMXVAFAPOML-YZVFDVFRSA-N 0 3 318.367 2.301 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cn(C)nc1C ZINC001025040671 625157404 /nfs/dbraw/zinc/15/74/04/625157404.db2.gz IVRLYEYHWRYZBF-MRXNPFEDSA-N 0 3 318.465 2.411 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CNCc1ccnn1C ZINC001025041133 625158575 /nfs/dbraw/zinc/15/85/75/625158575.db2.gz UAAABGYRLYCNPV-HNNXBMFYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C1CC(C)(C(=O)N2CCCC[C@H]2CNCc2cncn2C)C1 ZINC001025074749 625195940 /nfs/dbraw/zinc/19/59/40/625195940.db2.gz RSSVRBQUFNGBPT-HNNXBMFYSA-N 0 3 316.449 2.247 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2cc(F)ccc2F)C[C@H]1C ZINC000947662752 625199465 /nfs/dbraw/zinc/19/94/65/625199465.db2.gz MDSGNCZPPTVSJG-CJNGLKHVSA-N 0 3 320.383 2.500 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cncc(COC)c2)C1 ZINC000998916027 634442202 /nfs/dbraw/zinc/44/22/02/634442202.db2.gz QLPRBODNAIJDIA-UHFFFAOYSA-N 0 3 323.824 2.173 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001023393642 625250870 /nfs/dbraw/zinc/25/08/70/625250870.db2.gz GTMCPPQDABOFCI-ZDUSSCGKSA-N 0 3 324.375 2.052 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001023400188 625255606 /nfs/dbraw/zinc/25/56/06/625255606.db2.gz CFMPPUNKVCCWLM-HNNXBMFYSA-N 0 3 316.449 2.103 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001023409635 625257457 /nfs/dbraw/zinc/25/74/57/625257457.db2.gz AOYZWMCCGWDLOG-LBPRGKRZSA-N 0 3 322.840 2.091 20 30 DEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(CC)n[nH]1 ZINC001025205433 625262169 /nfs/dbraw/zinc/26/21/69/625262169.db2.gz VGAQTRDYQJORQB-IRXDYDNUSA-N 0 3 314.433 2.064 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(OCC=C)cc2)C1 ZINC001023448578 625271290 /nfs/dbraw/zinc/27/12/90/625271290.db2.gz SGEHMRQPDVQMBY-MRXNPFEDSA-N 0 3 312.413 2.326 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001026747199 625720001 /nfs/dbraw/zinc/72/00/01/625720001.db2.gz FCKPJXOBTARFDH-XITLMJRVSA-N 0 3 309.413 2.463 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001024440523 625778643 /nfs/dbraw/zinc/77/86/43/625778643.db2.gz QOVRLBOBXQDKEB-KRWDZBQOSA-N 0 3 324.428 2.250 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001024461958 625789129 /nfs/dbraw/zinc/78/91/29/625789129.db2.gz KYANBLMDYTWBOE-OAHLLOKOSA-N 0 3 304.438 2.454 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001024472099 625801217 /nfs/dbraw/zinc/80/12/17/625801217.db2.gz OWKZRBBSRSCYOK-OAHLLOKOSA-N 0 3 316.449 2.458 20 30 DEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)cc(=O)oc1C ZINC001024542752 625861130 /nfs/dbraw/zinc/86/11/30/625861130.db2.gz ACLRICCOCDSVFG-AWEZNQCLSA-N 0 3 304.390 2.027 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001024549480 625868675 /nfs/dbraw/zinc/86/86/75/625868675.db2.gz WRRDSHRKQYBRBF-FGTMMUONSA-N 0 3 318.461 2.043 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001024558529 625878312 /nfs/dbraw/zinc/87/83/12/625878312.db2.gz JVWUQSPSJZRWMD-LUKYLMHMSA-N 0 3 306.450 2.348 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccnc2ccncc21 ZINC001024576409 625899750 /nfs/dbraw/zinc/89/97/50/625899750.db2.gz SKRPPZYCQVQFJC-OAHLLOKOSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCSCC(=O)C(C#N)C(=O)Nc1ccccc1OCC ZINC000892497898 625902586 /nfs/dbraw/zinc/90/25/86/625902586.db2.gz ZXCNQXZBOXHBPH-LBPRGKRZSA-N 0 3 316.382 2.099 20 30 DEEDHN Cc1nc(C2CCC2)sc1CC(=O)C(C#N)C(=O)NC(C)C ZINC000892498932 625905369 /nfs/dbraw/zinc/90/53/69/625905369.db2.gz PIONWRJBAIHXRS-LBPRGKRZSA-N 0 3 319.430 2.495 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnnc2ccccc21 ZINC001024681031 625966903 /nfs/dbraw/zinc/96/69/03/625966903.db2.gz NCVUPEZFTSBLJS-HNNXBMFYSA-N 0 3 322.412 2.237 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](OC)C2CCCCC2)C1 ZINC001027708620 634470875 /nfs/dbraw/zinc/47/08/75/634470875.db2.gz UZCPRPCMCJQPDY-DLBZAZTESA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3coc4ccc(F)cc34)[C@@H]2C1 ZINC000979012537 634478719 /nfs/dbraw/zinc/47/87/19/634478719.db2.gz CIXWUJLMFSRTJZ-QKDCVEJESA-N 0 3 312.344 2.113 20 30 DEEDHN O=C(C#CC1CC1)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999130750 634495357 /nfs/dbraw/zinc/49/53/57/634495357.db2.gz XZGFYSFEXWNUCQ-MRXNPFEDSA-N 0 3 300.377 2.320 20 30 DEEDHN C#Cc1ccc(C(=O)N(C)C2CC(NCc3conc3C)C2)cc1 ZINC000999210051 634518630 /nfs/dbraw/zinc/51/86/30/634518630.db2.gz MIRJKJDCHDWUKN-UHFFFAOYSA-N 0 3 323.396 2.357 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)s1 ZINC000999242904 634531459 /nfs/dbraw/zinc/53/14/59/634531459.db2.gz XORVAQBBOYQFSM-ZDUSSCGKSA-N 0 3 314.414 2.342 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCc3nccnc3C)C2)C1 ZINC000999374759 634572152 /nfs/dbraw/zinc/57/21/52/634572152.db2.gz QUPWGXKEKLGWBP-UHFFFAOYSA-N 0 3 314.433 2.220 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC000999386328 634580870 /nfs/dbraw/zinc/58/08/70/634580870.db2.gz WHVNANCVWRYHRP-BPCQOVAHSA-N 0 3 322.840 2.161 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)NCc2ccns2)C1 ZINC000979378812 634600404 /nfs/dbraw/zinc/60/04/04/634600404.db2.gz RGQMENHANGLRNN-JSGCOSHPSA-N 0 3 323.462 2.061 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)NCc2ccns2)C1 ZINC000979378815 634600736 /nfs/dbraw/zinc/60/07/36/634600736.db2.gz RGQMENHANGLRNN-OCCSQVGLSA-N 0 3 323.462 2.061 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnoc2C2CC2)C1 ZINC000999634840 634650134 /nfs/dbraw/zinc/65/01/34/634650134.db2.gz MLGCSJCPDRJWSV-UHFFFAOYSA-N 0 3 309.797 2.497 20 30 DEEDHN CC(=O)N[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000979476790 634646245 /nfs/dbraw/zinc/64/62/45/634646245.db2.gz DXHGARJFFZBINK-ZIFCJYIRSA-N 0 3 314.404 2.414 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(CC(C)C)c2)C1 ZINC000999614640 634646536 /nfs/dbraw/zinc/64/65/36/634646536.db2.gz IUDRPDQBPULYSF-UHFFFAOYSA-N 0 3 324.856 2.484 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3ccncc3F)CC2)CC1 ZINC001000109151 634749041 /nfs/dbraw/zinc/74/90/41/634749041.db2.gz RZTYCHGGTLGQPJ-UHFFFAOYSA-N 0 3 315.392 2.218 20 30 DEEDHN CC#CCN1CCC(C2(NC(=O)c3cncc(C)c3)CC2)CC1 ZINC001000115909 634752245 /nfs/dbraw/zinc/75/22/45/634752245.db2.gz DNFYCRCBDXSAMM-UHFFFAOYSA-N 0 3 311.429 2.388 20 30 DEEDHN C#CCN(C(=O)NC1CCC(F)(F)CC1)C1CCN(C)CC1 ZINC000921695560 634776179 /nfs/dbraw/zinc/77/61/79/634776179.db2.gz SUHVRJBJOISSGX-UHFFFAOYSA-N 0 3 313.392 2.303 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3ncc(C)cc3C)CC2)CC1 ZINC001000219223 634798449 /nfs/dbraw/zinc/79/84/49/634798449.db2.gz MCADSARVQQSFGW-UHFFFAOYSA-N 0 3 311.429 2.306 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1c(C)oc2ccccc21 ZINC000836399360 650087578 /nfs/dbraw/zinc/08/75/78/650087578.db2.gz QFGOQJHHPCSWCE-UHFFFAOYSA-N 0 3 313.401 2.496 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000836421499 650089958 /nfs/dbraw/zinc/08/99/58/650089958.db2.gz MTENPPBIIYBRRZ-INIZCTEOSA-N 0 3 321.465 2.123 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](c2cccc(C)c2)C1 ZINC000836490304 650097633 /nfs/dbraw/zinc/09/76/33/650097633.db2.gz TVHGDWZXSKYTMY-SFHVURJKSA-N 0 3 313.445 2.449 20 30 DEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000836488206 650097741 /nfs/dbraw/zinc/09/77/41/650097741.db2.gz ITOIMUZIXMDKDZ-MRXNPFEDSA-N 0 3 301.434 2.353 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001024713815 632942816 /nfs/dbraw/zinc/94/28/16/632942816.db2.gz OJMUUOCNSAMIIN-OAHLLOKOSA-N 0 3 312.417 2.495 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974581964 633162591 /nfs/dbraw/zinc/16/25/91/633162591.db2.gz IRAZWHCJFXHRBE-BBRMVZONSA-N 0 3 316.449 2.232 20 30 DEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2scnc2C)cc1 ZINC000121448813 650112824 /nfs/dbraw/zinc/11/28/24/650112824.db2.gz ZBAQROKYBCCNMO-GFCCVEGCSA-N 0 3 315.354 2.421 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974600106 633175298 /nfs/dbraw/zinc/17/52/98/633175298.db2.gz GJZDFSCKYQOMCE-HUUCEWRRSA-N 0 3 316.449 2.232 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000996134801 633193574 /nfs/dbraw/zinc/19/35/74/633193574.db2.gz LKZVKYCTPQPPMI-HNNXBMFYSA-N 0 3 318.465 2.349 20 30 DEEDHN C=CC(C)(C)C(=O)N1C[C@@H](N[C@@H](C)c2n[nH]c(C)n2)C(C)(C)C1 ZINC000996139978 633194475 /nfs/dbraw/zinc/19/44/75/633194475.db2.gz RUZNBGDUCUZHBW-WCQYABFASA-N 0 3 319.453 2.213 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000996225772 633215335 /nfs/dbraw/zinc/21/53/35/633215335.db2.gz FGLLUJBTMLJJJS-QAPCUYQASA-N 0 3 318.465 2.349 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2nccc3cccnc32)C(C)(C)C1 ZINC000974672714 633221273 /nfs/dbraw/zinc/22/12/73/633221273.db2.gz CVZIVISGUIQGCS-HNNXBMFYSA-N 0 3 322.412 2.093 20 30 DEEDHN Cc1nc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cs1 ZINC000733680816 633262025 /nfs/dbraw/zinc/26/20/25/633262025.db2.gz IGYZUDPZUCNYSW-CYBMUJFWSA-N 0 3 305.403 2.152 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn(C)c2CCC)C(C)(C)C1 ZINC000974768856 633293097 /nfs/dbraw/zinc/29/30/97/633293097.db2.gz VWWGWJOXHAGVFI-MRXNPFEDSA-N 0 3 318.465 2.389 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cccnc2C2CC2)C(C)(C)C1 ZINC000974767739 633293672 /nfs/dbraw/zinc/29/36/72/633293672.db2.gz QSACQRKJGSGKEE-MRXNPFEDSA-N 0 3 311.429 2.423 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccn3cc(C)nc3c2)C(C)(C)C1 ZINC000975046548 633396417 /nfs/dbraw/zinc/39/64/17/633396417.db2.gz CXHQSBCVMNZKKL-INIZCTEOSA-N 0 3 324.428 2.106 20 30 DEEDHN N#CC(C(=O)CCCn1ccccc1=O)c1nc2ccccc2[nH]1 ZINC000735203626 633489536 /nfs/dbraw/zinc/48/95/36/633489536.db2.gz JCKIMMBNSCPDAG-CYBMUJFWSA-N 0 3 320.352 2.381 20 30 DEEDHN C=C1CCC(C(=O)N2CCC(NCc3ccn(C)n3)CC2)CC1 ZINC000996950144 633537659 /nfs/dbraw/zinc/53/76/59/633537659.db2.gz GHKRRWNJLKWMGH-UHFFFAOYSA-N 0 3 316.449 2.247 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccn(CC(C)C)n2)CC1 ZINC000997109578 633584355 /nfs/dbraw/zinc/58/43/55/633584355.db2.gz APTCPCBNDXOKQI-OAHLLOKOSA-N 0 3 316.449 2.003 20 30 DEEDHN CO[C@H](C)C(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027321449 633649980 /nfs/dbraw/zinc/64/99/80/633649980.db2.gz RUYAJUATFUVVQS-PBHICJAKSA-N 0 3 315.417 2.016 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000997190973 633675392 /nfs/dbraw/zinc/67/53/92/633675392.db2.gz OPVBNLXMCDQISF-CQSZACIVSA-N 0 3 324.428 2.335 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001009555124 633683453 /nfs/dbraw/zinc/68/34/53/633683453.db2.gz WXCUBCDBEWERBE-AWEZNQCLSA-N 0 3 302.422 2.370 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccnc3ccncc32)CC1 ZINC000997251609 633684945 /nfs/dbraw/zinc/68/49/45/633684945.db2.gz VATUVZABNXMHMF-CQSZACIVSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc(F)c2F)CC1 ZINC000997275984 633690140 /nfs/dbraw/zinc/69/01/40/633690140.db2.gz CQVCLMDBNKJJPV-GFCCVEGCSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2nc(C(C)C)oc2C)C1 ZINC001027412325 633753153 /nfs/dbraw/zinc/75/31/53/633753153.db2.gz ZCGCVNRMHOUUBB-AWEZNQCLSA-N 0 3 303.406 2.276 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001027414509 633754035 /nfs/dbraw/zinc/75/40/35/633754035.db2.gz QVMDRZSNDMOYGB-CVEARBPZSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2nc(C3CC3)oc2C)CC1 ZINC000997371923 633755147 /nfs/dbraw/zinc/75/51/47/633755147.db2.gz CQHRYMXPSVDZIG-GFCCVEGCSA-N 0 3 315.417 2.324 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC001027422455 633761314 /nfs/dbraw/zinc/76/13/14/633761314.db2.gz HWAJHTIJEZZILO-GOEBONIOSA-N 0 3 318.392 2.149 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)C[C@H]1C ZINC000947922427 633782569 /nfs/dbraw/zinc/78/25/69/633782569.db2.gz XOYDTHYOBUZCEI-ZBFHGGJFSA-N 0 3 316.449 2.378 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CN1CCN(CCCCCO)CC1 ZINC000931491643 633794386 /nfs/dbraw/zinc/79/43/86/633794386.db2.gz DAHVUOIVQFACMT-UHFFFAOYSA-N 0 3 315.461 2.455 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)C1 ZINC001027452494 633810158 /nfs/dbraw/zinc/81/01/58/633810158.db2.gz POSPDVZSGKXOBK-CYBMUJFWSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001027470844 633848779 /nfs/dbraw/zinc/84/87/79/633848779.db2.gz QEAWAJQPVZVDGC-CJNGLKHVSA-N 0 3 316.449 2.076 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001027488904 633877971 /nfs/dbraw/zinc/87/79/71/633877971.db2.gz HJWSPJNAYCVGGB-CYBMUJFWSA-N 0 3 303.406 2.142 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2cccc(OC)c2)C1 ZINC001027489269 633878681 /nfs/dbraw/zinc/87/86/81/633878681.db2.gz RBXLLNHEGXDYFA-QGZVFWFLSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2conc2C(C)C)CC1 ZINC000997612643 633900083 /nfs/dbraw/zinc/90/00/83/633900083.db2.gz AOHNJLQMNDCSAC-ZDUSSCGKSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2[nH]c(C)cc2C)CC1 ZINC000997643084 633908092 /nfs/dbraw/zinc/90/80/92/633908092.db2.gz YZNSDFILDKKKNN-HNNXBMFYSA-N 0 3 301.434 2.485 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc3ncn(C)c32)CC1 ZINC000997646051 633908993 /nfs/dbraw/zinc/90/89/93/633908993.db2.gz JTHYOPBGYQOHAR-AWEZNQCLSA-N 0 3 324.428 2.037 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(COC)c2)CC1 ZINC000997658798 633916571 /nfs/dbraw/zinc/91/65/71/633916571.db2.gz KPTFSZJZLMXFQG-HNNXBMFYSA-N 0 3 314.429 2.297 20 30 DEEDHN C=CCN1C[C@H](NC(=O)Cc2ccccc2COC)C(C)(C)C1 ZINC000977320816 633926256 /nfs/dbraw/zinc/92/62/56/633926256.db2.gz WJYRLGXDAVPXKL-KRWDZBQOSA-N 0 3 316.445 2.388 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cnn3ccccc23)C(C)(C)C1 ZINC000977352857 633938203 /nfs/dbraw/zinc/93/82/03/633938203.db2.gz VGQGMZBXDJHWDO-MRXNPFEDSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000997706155 633942646 /nfs/dbraw/zinc/94/26/46/633942646.db2.gz KHANUQRTCLLQJQ-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3ncccc32)C1 ZINC001027513299 633950796 /nfs/dbraw/zinc/95/07/96/633950796.db2.gz JNOZJCOSHPZRPD-HNNXBMFYSA-N 0 3 307.397 2.404 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2nccc3[nH]ccc32)CC1 ZINC000997755477 633965201 /nfs/dbraw/zinc/96/52/01/633965201.db2.gz HUZJEKPYELBDHI-ZDUSSCGKSA-N 0 3 310.401 2.026 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cc(C)[nH]c2C)CC1 ZINC000997774077 633969738 /nfs/dbraw/zinc/96/97/38/633969738.db2.gz BAYPNCHRMTVMNB-AWEZNQCLSA-N 0 3 301.434 2.485 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2scnc2C2CC2)CC1 ZINC000997788436 633978131 /nfs/dbraw/zinc/97/81/31/633978131.db2.gz ALPWUHAEORKZFR-LBPRGKRZSA-N 0 3 317.458 2.484 20 30 DEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc3nccn3c2)CC1 ZINC000997830177 634002727 /nfs/dbraw/zinc/00/27/27/634002727.db2.gz YUEQLDVDBCXINH-HNNXBMFYSA-N 0 3 324.428 2.188 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001027541070 634058484 /nfs/dbraw/zinc/05/84/84/634058484.db2.gz JXLBSZWOMLQIQR-IAGOWNOFSA-N 0 3 311.429 2.058 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]c3ncccc23)C(C)(C)C1 ZINC000977607393 634062844 /nfs/dbraw/zinc/06/28/44/634062844.db2.gz WBRHAXCNCRXIOR-HNNXBMFYSA-N 0 3 310.401 2.026 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccnc(F)c2)CC1 ZINC000997950747 634074721 /nfs/dbraw/zinc/07/47/21/634074721.db2.gz SVYZBGYDTDBRRZ-HNNXBMFYSA-N 0 3 303.381 2.171 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000997971880 634086461 /nfs/dbraw/zinc/08/64/61/634086461.db2.gz QUDZSQHJQZUPRY-MRXNPFEDSA-N 0 3 315.417 2.127 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C(C)(C)C1 ZINC000977680649 634089997 /nfs/dbraw/zinc/08/99/97/634089997.db2.gz MWGLWOCZPKCZAC-MRXNPFEDSA-N 0 3 316.449 2.236 20 30 DEEDHN C=CCCN1C[C@H](NC(=O)c2cnc(COC)s2)C(C)(C)C1 ZINC000977672738 634096973 /nfs/dbraw/zinc/09/69/73/634096973.db2.gz ZQIQLIIUXZAWDP-ZDUSSCGKSA-N 0 3 323.462 2.306 20 30 DEEDHN CN1CC[C@@H]2CN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000836849782 650136386 /nfs/dbraw/zinc/13/63/86/650136386.db2.gz STYKSBXVJLFLCK-HIFRSBDPSA-N 0 3 322.330 2.219 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)nnc2C)CC1 ZINC000998010912 634108425 /nfs/dbraw/zinc/10/84/25/634108425.db2.gz HNWUHSJXDGNIBN-MRXNPFEDSA-N 0 3 314.433 2.043 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2conc2C)CC1 ZINC000998101459 634141594 /nfs/dbraw/zinc/14/15/94/634141594.db2.gz GXYFIPZGBNKAQT-HNNXBMFYSA-N 0 3 303.406 2.323 20 30 DEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2[nH]c(C)nc2C)CC1 ZINC000998120409 634147298 /nfs/dbraw/zinc/14/72/98/634147298.db2.gz KWCJMIQGKKWYRL-MRXNPFEDSA-N 0 3 316.449 2.366 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2cc(F)c[nH]2)CC[C@H]1C(F)(F)F ZINC000998277391 634196956 /nfs/dbraw/zinc/19/69/56/634196956.db2.gz CUHPSUXQYZPICR-PWSUYJOCSA-N 0 3 319.302 2.322 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C3CC3)on2)CC1 ZINC000948656488 634203436 /nfs/dbraw/zinc/20/34/36/634203436.db2.gz ZMCAMRJVRLKQAP-CQSZACIVSA-N 0 3 301.390 2.112 20 30 DEEDHN C=CCN[C@H]1CN(C(=O)c2nccs2)CC[C@H]1C(F)(F)F ZINC000998318316 634210571 /nfs/dbraw/zinc/21/05/71/634210571.db2.gz YCIAAHYDYONZRB-ZJUUUORDSA-N 0 3 319.352 2.312 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)c(F)c2F)C1 ZINC001027588360 634212858 /nfs/dbraw/zinc/21/28/58/634212858.db2.gz CBOFATHNKYZZON-ZDUSSCGKSA-N 0 3 306.356 2.443 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001027591360 634225793 /nfs/dbraw/zinc/22/57/93/634225793.db2.gz PPQZVMOZTQXDPI-LBPRGKRZSA-N 0 3 310.319 2.274 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sc(C)cc2OC)C1 ZINC001027602760 634265108 /nfs/dbraw/zinc/26/51/08/634265108.db2.gz DWWLLQQZLNSGIW-CYBMUJFWSA-N 0 3 306.431 2.235 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccn(C(CC)CC)n2)C1 ZINC001027605453 634268991 /nfs/dbraw/zinc/26/89/91/634268991.db2.gz XXBOAEJFSVQDRB-MRXNPFEDSA-N 0 3 316.449 2.414 20 30 DEEDHN C#CC[C@@H](NC(=O)N(CC#C)C1CCN(C)CC1)c1ccccc1 ZINC000921666156 634305055 /nfs/dbraw/zinc/30/50/55/634305055.db2.gz PNPQZAVZAAWMNG-LJQANCHMSA-N 0 3 323.440 2.490 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c4ccccc34)[C@@H]2C1 ZINC000978425055 634313164 /nfs/dbraw/zinc/31/31/64/634313164.db2.gz MZWCHZOVZCFBHO-OSYLJGHBSA-N 0 3 321.424 2.109 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cn(CC)c4ccccc34)[C@@H]2C1 ZINC000978465220 634321977 /nfs/dbraw/zinc/32/19/77/634321977.db2.gz MGHPHCLYPRCMLB-OSYLJGHBSA-N 0 3 321.424 2.202 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3ccncc3c2)C1 ZINC001027640644 634368253 /nfs/dbraw/zinc/36/82/53/634368253.db2.gz YUOFEFRFKGIWKS-SFHVURJKSA-N 0 3 307.397 2.404 20 30 DEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000978594814 634368308 /nfs/dbraw/zinc/36/83/08/634368308.db2.gz GVLBDUVSONQOMH-YXWSMURKSA-N 0 3 309.413 2.008 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001027641631 634369461 /nfs/dbraw/zinc/36/94/61/634369461.db2.gz LTJUIYQRMNIZKM-KRWDZBQOSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001027642983 634374076 /nfs/dbraw/zinc/37/40/76/634374076.db2.gz DFIKJEGYGPZEHW-GDBMZVCRSA-N 0 3 316.449 2.332 20 30 DEEDHN C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027878837 634848553 /nfs/dbraw/zinc/84/85/53/634848553.db2.gz IYAJUQKGNDAKCX-LSDHHAIUSA-N 0 3 313.873 2.192 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(OC)cccc2OC)C1 ZINC000980267988 634922807 /nfs/dbraw/zinc/92/28/07/634922807.db2.gz XXFSDWPXBIHFRB-ZDUSSCGKSA-N 0 3 304.390 2.036 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001027912506 634949146 /nfs/dbraw/zinc/94/91/46/634949146.db2.gz PIPQIBNWDVBSIF-AWEZNQCLSA-N 0 3 302.422 2.068 20 30 DEEDHN COC1CCC(CN2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000893598688 634951270 /nfs/dbraw/zinc/95/12/70/634951270.db2.gz VLBVGXNYFWXPLZ-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/47/79/39/635477939.db2.gz RQTKJARFQZCJHO-UHFFFAOYSA-N 0 3 316.401 2.252 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2cn3c(n2)CC[C@H](C)C3)CC1 ZINC000981447032 635486848 /nfs/dbraw/zinc/48/68/48/635486848.db2.gz OWGDKOJZWVRPKN-HNNXBMFYSA-N 0 3 316.449 2.189 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(C(C)(C)C)cn2)CC1 ZINC001001408392 635488908 /nfs/dbraw/zinc/48/89/08/635488908.db2.gz IMRNAMWVAKVAAR-UHFFFAOYSA-N 0 3 313.445 2.454 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001001406501 635489076 /nfs/dbraw/zinc/48/90/76/635489076.db2.gz BCYWCOZHHQAQRN-UHFFFAOYSA-N 0 3 324.428 2.108 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc(NC(C)=O)c2)CC1 ZINC001001445230 635506858 /nfs/dbraw/zinc/50/68/58/635506858.db2.gz ZWAGIZQJXZIBIM-UHFFFAOYSA-N 0 3 313.401 2.193 20 30 DEEDHN C#CCCN1CCCN(C(=O)Cc2cc(C)ccc2OC)CC1 ZINC000981569651 635536386 /nfs/dbraw/zinc/53/63/86/635536386.db2.gz QQELIRRNAZBGFK-UHFFFAOYSA-N 0 3 314.429 2.104 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000981578343 635538491 /nfs/dbraw/zinc/53/84/91/635538491.db2.gz HRNQWPJGAKQVMP-QGZVFWFLSA-N 0 3 300.402 2.101 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000981608104 635552643 /nfs/dbraw/zinc/55/26/43/635552643.db2.gz PEDWPQRYDBWICL-UHFFFAOYSA-N 0 3 312.417 2.216 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2coc(C3CC3)n2)CC1 ZINC001001918753 635577038 /nfs/dbraw/zinc/57/70/38/635577038.db2.gz UDHFWHDDYXIZBF-UHFFFAOYSA-N 0 3 301.390 2.017 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001028115839 635601800 /nfs/dbraw/zinc/60/18/00/635601800.db2.gz WEGDBJPRAVTUBT-AWEZNQCLSA-N 0 3 318.465 2.488 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)Cc1ccccc1OC ZINC000107409156 635601846 /nfs/dbraw/zinc/60/18/46/635601846.db2.gz GCBYPEBZWMKOSC-DZGCQCFKSA-N 0 3 314.385 2.275 20 30 DEEDHN CC(C)N1CCN(C2CCN(C(=O)C#CC(C)(C)C)CC2)CC1 ZINC000837501117 650206256 /nfs/dbraw/zinc/20/62/56/650206256.db2.gz WFSXPHMFJDKJKK-UHFFFAOYSA-N 0 3 319.493 2.053 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cccc3ncccc32)CC1 ZINC000981717927 635611631 /nfs/dbraw/zinc/61/16/31/635611631.db2.gz SLLQPOCNISYZAE-UHFFFAOYSA-N 0 3 307.397 2.406 20 30 DEEDHN C=C(C)CCN1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC000981837043 635680141 /nfs/dbraw/zinc/68/01/41/635680141.db2.gz OPPQANJZQGSUDI-UHFFFAOYSA-N 0 3 319.449 2.455 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 ZINC000981877777 635710810 /nfs/dbraw/zinc/71/08/10/635710810.db2.gz IMZVPIHTGGQJRE-QGZVFWFLSA-N 0 3 312.413 2.101 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)Cc3c[nH]c4cnccc34)C2)C1 ZINC000981963264 635771515 /nfs/dbraw/zinc/77/15/15/635771515.db2.gz PNRMMDRBAMQFLE-UHFFFAOYSA-N 0 3 324.428 2.216 20 30 DEEDHN C#CCN(C(=O)NCCC[C@H]1CCCCO1)C1CCN(C)CC1 ZINC000921976213 635777093 /nfs/dbraw/zinc/77/70/93/635777093.db2.gz XPSJKLXJBGMATK-QGZVFWFLSA-N 0 3 321.465 2.075 20 30 DEEDHN C=C(Cl)CN1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002792431 635799255 /nfs/dbraw/zinc/79/92/55/635799255.db2.gz NGUKLLFYDWBHCM-OAHLLOKOSA-N 0 3 313.873 2.192 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cncnc3)CC[C@@H]2C1 ZINC000946565292 635810319 /nfs/dbraw/zinc/81/03/19/635810319.db2.gz HZKRAWKDRBUZFT-OKILXGFUSA-N 0 3 320.824 2.013 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001028200194 635813602 /nfs/dbraw/zinc/81/36/02/635813602.db2.gz MOVNGSNYGRKIDC-SNVBAGLBSA-N 0 3 316.327 2.199 20 30 DEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)Cc2c(C)noc2C)CC1 ZINC000982112394 635873542 /nfs/dbraw/zinc/87/35/42/635873542.db2.gz RFQYMXOTCAOQCA-AWEZNQCLSA-N 0 3 317.433 2.028 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CCCN(CCC=C)CC2)cc1 ZINC000982111292 635874313 /nfs/dbraw/zinc/87/43/13/635874313.db2.gz QBZHTJWBTLOOPK-UHFFFAOYSA-N 0 3 312.413 2.423 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)CC[C@H]3CCCO3)C[C@]2(C)C1 ZINC000982216490 635909646 /nfs/dbraw/zinc/90/96/46/635909646.db2.gz AOIOHUMDCWLBPD-QRQLOZEOSA-N 0 3 318.461 2.139 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cnc(C)s3)C[C@]2(C)C1 ZINC000982231843 635915364 /nfs/dbraw/zinc/91/53/64/635915364.db2.gz 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C#CCN1CC[C@@H](CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001028545425 636334118 /nfs/dbraw/zinc/33/41/18/636334118.db2.gz PYANZYSFMAOQFE-ZDUSSCGKSA-N 0 3 311.360 2.059 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001028567670 636344400 /nfs/dbraw/zinc/34/44/00/636344400.db2.gz ZOHDHYOVPBESRN-OAHLLOKOSA-N 0 3 307.397 2.228 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001028591494 636426533 /nfs/dbraw/zinc/42/65/33/636426533.db2.gz HYFCFUYWBVRDLC-CQSZACIVSA-N 0 3 309.369 2.027 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001028633797 636523479 /nfs/dbraw/zinc/52/34/79/636523479.db2.gz PSYYLVHIQDPUOS-AWEZNQCLSA-N 0 3 309.369 2.027 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)C2CCc3ccccc3CC2)C1 ZINC001028641029 636538507 /nfs/dbraw/zinc/53/85/07/636538507.db2.gz ABPMHXHSXHCGAV-MRXNPFEDSA-N 0 3 310.441 2.253 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001028712784 636658093 /nfs/dbraw/zinc/65/80/93/636658093.db2.gz ZKKIUOOJWKCDFV-CYBMUJFWSA-N 0 3 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DEEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000778169410 642346405 /nfs/dbraw/zinc/34/64/05/642346405.db2.gz QNFRZYLQRMOHNM-OLZOCXBDSA-N 0 3 320.820 2.486 20 30 DEEDHN C[C@@H]1C[C@@H](NN=Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000901311724 642621213 /nfs/dbraw/zinc/62/12/13/642621213.db2.gz QQZNTLZBOIILHT-SCAQPMJSSA-N 0 3 317.433 2.403 20 30 DEEDHN CN(C)c1ccc([C@H](CNC[C@H](C#N)CCC#N)N(C)C)cc1 ZINC000901706284 642762943 /nfs/dbraw/zinc/76/29/43/642762943.db2.gz KAPUNWOGSAPGQO-YJBOKZPZSA-N 0 3 313.449 2.388 20 30 DEEDHN CN(C)CCN(CCc1ccccc1)C(=O)NCC(C)(C)C#N ZINC000781953777 642802925 /nfs/dbraw/zinc/80/29/25/642802925.db2.gz NFHYSLMBBYHFBJ-UHFFFAOYSA-N 0 3 316.449 2.352 20 30 DEEDHN COC(=O)C12CC(C(=O)C(C#N)c3nc4ccccc4o3)(C1)C2 ZINC000842693071 650805849 /nfs/dbraw/zinc/80/58/49/650805849.db2.gz BQQBTUZAGNCQRJ-DTUOUAAVSA-N 0 3 310.309 2.347 20 30 DEEDHN Cc1ccoc1C(=O)NCCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902871998 643166797 /nfs/dbraw/zinc/16/67/97/643166797.db2.gz VZLAHZGYOJMWPJ-ZDUSSCGKSA-N 0 3 312.373 2.325 20 30 DEEDHN C#CCN(C(=O)Nc1ccc(OC)cc1)C1CCN(C)CC1 ZINC000902985412 643210990 /nfs/dbraw/zinc/21/09/90/643210990.db2.gz HKJJMGLAHJEMMR-UHFFFAOYSA-N 0 3 301.390 2.257 20 30 DEEDHN C=CCC[C@@H]([NH2+]Cc1nnc(COC)[n-]1)[C@@]1(C)CCCCO1 ZINC000903048280 643238367 /nfs/dbraw/zinc/23/83/67/643238367.db2.gz LMXATWNVWLWXDI-CZUORRHYSA-N 0 3 308.426 2.335 20 30 DEEDHN C#CCCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785713377 643266825 /nfs/dbraw/zinc/26/68/25/643266825.db2.gz RMARCMJLWUIAKT-UHFFFAOYSA-N 0 3 301.386 2.071 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCOCC2)c1 ZINC000786310300 643351424 /nfs/dbraw/zinc/35/14/24/643351424.db2.gz IBNCXXOMIBTPDA-HIFRSBDPSA-N 0 3 300.358 2.459 20 30 DEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786511362 643376848 /nfs/dbraw/zinc/37/68/48/643376848.db2.gz LURCBZRERWZTCZ-GFCCVEGCSA-N 0 3 324.327 2.105 20 30 DEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786537910 643381224 /nfs/dbraw/zinc/38/12/24/643381224.db2.gz BVRKEYFARZEQRC-INIZCTEOSA-N 0 3 310.353 2.464 20 30 DEEDHN COCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534281 643381268 /nfs/dbraw/zinc/38/12/68/643381268.db2.gz JTGWYQRWTGOICC-AWEZNQCLSA-N 0 3 322.792 2.482 20 30 DEEDHN CS[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568024 643386350 /nfs/dbraw/zinc/38/63/50/643386350.db2.gz DTLZRCQDVABSLC-SCZZXKLOSA-N 0 3 312.341 2.041 20 30 DEEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000904207210 643598277 /nfs/dbraw/zinc/59/82/77/643598277.db2.gz VKSJKUNTQVFXKC-JKSUJKDBSA-N 0 3 322.453 2.254 20 30 DEEDHN CCCCCCN([O-])C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000904207210 643598282 /nfs/dbraw/zinc/59/82/82/643598282.db2.gz VKSJKUNTQVFXKC-JKSUJKDBSA-N 0 3 322.453 2.254 20 30 DEEDHN CCCCCCN(O)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000904207210 643598288 /nfs/dbraw/zinc/59/82/88/643598288.db2.gz VKSJKUNTQVFXKC-JKSUJKDBSA-N 0 3 322.453 2.254 20 30 DEEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2COC[C@H]2C)cc1 ZINC000905868806 644065516 /nfs/dbraw/zinc/06/55/16/644065516.db2.gz VVYIBOANXCSIAP-HLLBOEOZSA-N 0 3 315.417 2.255 20 30 DEEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCO[C@H](C)C#N)cc1 ZINC000792947643 644172199 /nfs/dbraw/zinc/17/21/99/644172199.db2.gz HHQKZPWQVAGNHZ-CHWSQXEVSA-N 0 3 310.419 2.059 20 30 DEEDHN C#Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000906975779 644404772 /nfs/dbraw/zinc/40/47/72/644404772.db2.gz BJRSPTPNJHWQAL-GDBMZVCRSA-N 0 3 320.458 2.161 20 30 DEEDHN C#CCC(C)(C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794592897 644441814 /nfs/dbraw/zinc/44/18/14/644441814.db2.gz LJIVPSCZNHEJLP-MRXNPFEDSA-N 0 3 300.402 2.241 20 30 DEEDHN CS[C@@H]1CN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@H]1N(C)C ZINC000907146475 644461994 /nfs/dbraw/zinc/46/19/94/644461994.db2.gz LRVYENBRJKMDAR-WVWMWGESSA-N 0 3 321.490 2.210 20 30 DEEDHN CS[C@H]1CN(C(=O)c2ccsc2C#N)C[C@H]1N1CCCC1 ZINC000907350169 644516277 /nfs/dbraw/zinc/51/62/77/644516277.db2.gz NOJZJXLWWNEZPS-OCCSQVGLSA-N 0 3 321.471 2.272 20 30 DEEDHN N#C[C@]1(F)CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000907637670 644597880 /nfs/dbraw/zinc/59/78/80/644597880.db2.gz XRSGCOXELJYROT-MRXNPFEDSA-N 0 3 300.337 2.369 20 30 DEEDHN C#C[C@H](N[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000843403566 650967170 /nfs/dbraw/zinc/96/71/70/650967170.db2.gz YSOPSQSOCFQSFV-XUWVNRHRSA-N 0 3 322.449 2.402 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnc4[nH]ccc4c3)CCC[C@H]12 ZINC000991207682 645225741 /nfs/dbraw/zinc/22/57/41/645225741.db2.gz JKWRITWNMLCXNG-YJBOKZPZSA-N 0 3 310.401 2.427 20 30 DEEDHN C[C@H](C#N)OCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000801930885 645464257 /nfs/dbraw/zinc/46/42/57/645464257.db2.gz YPTZXSGQLQRYNA-CQSZACIVSA-N 0 3 316.405 2.201 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)c3cnc4cc[nH]c4c3)CCC[C@@H]12 ZINC000991298920 645619924 /nfs/dbraw/zinc/61/99/24/645619924.db2.gz KMJFKDITTSQVRK-SJLPKXTDSA-N 0 3 310.401 2.476 20 30 DEEDHN C#CCCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000806876909 645882713 /nfs/dbraw/zinc/88/27/13/645882713.db2.gz HPMUTFBSFXIAMT-MRXNPFEDSA-N 0 3 303.406 2.011 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)NCCC ZINC000912044268 645926122 /nfs/dbraw/zinc/92/61/22/645926122.db2.gz QMCPUOAEGSNIGE-AWEZNQCLSA-N 0 3 303.406 2.449 20 30 DEEDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000912078145 645939595 /nfs/dbraw/zinc/93/95/95/645939595.db2.gz QXOOENSOZFPBKT-CZUORRHYSA-N 0 3 300.406 2.403 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC1(c2noc(C)n2)CCCCC1 ZINC000912186973 645976778 /nfs/dbraw/zinc/97/67/78/645976778.db2.gz SHVLVGFTQVNMRB-CYBMUJFWSA-N 0 3 306.410 2.337 20 30 DEEDHN CN(C)CCN1c2ccccc2C(=NNC2CCCCC2)C1=O ZINC000807983629 646015510 /nfs/dbraw/zinc/01/55/10/646015510.db2.gz SETJRBNDIDLGGT-UHFFFAOYSA-N 0 3 314.433 2.221 20 30 DEEDHN C[C@]1(NC(=O)c2[nH]c3ccccc3c2C#N)CN2CCC1CC2 ZINC000912376618 646049853 /nfs/dbraw/zinc/04/98/53/646049853.db2.gz YXRMKWZLNLZYMO-SFHVURJKSA-N 0 3 308.385 2.254 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000912475930 646083824 /nfs/dbraw/zinc/08/38/24/646083824.db2.gz JRWJPZDDTMQMRF-KRWDZBQOSA-N 0 3 312.417 2.231 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(OC)c3C)CCC[C@@H]12 ZINC000991393453 646135384 /nfs/dbraw/zinc/13/53/84/646135384.db2.gz ZMASDAWWMRIJIW-AEFFLSMTSA-N 0 3 315.417 2.311 20 30 DEEDHN C=CCOc1ccc(CC(=O)N2CC[C@H](N3CCC3)C2)cc1 ZINC000912905199 646213727 /nfs/dbraw/zinc/21/37/27/646213727.db2.gz YCSCNZKWKNPMIC-INIZCTEOSA-N 0 3 300.402 2.101 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)c3[nH]nc4ccc(C)cc43)CCC[C@H]12 ZINC000991591513 646525190 /nfs/dbraw/zinc/52/51/90/646525190.db2.gz GBRSEDSTJJVGHS-QFBILLFUSA-N 0 3 322.412 2.231 20 30 DEEDHN CON=CC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000811528912 646540139 /nfs/dbraw/zinc/54/01/39/646540139.db2.gz OAVNNPVJVOPQIR-MRXNPFEDSA-N 0 3 305.422 2.236 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)n2)C[C@@H]1C ZINC000947768173 646590241 /nfs/dbraw/zinc/59/02/41/646590241.db2.gz VJMKYXWKHRCFSO-JSGCOSHPSA-N 0 3 300.406 2.123 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc4nccn43)CCC[C@@H]12 ZINC000991844096 646656922 /nfs/dbraw/zinc/65/69/22/646656922.db2.gz UXRNOGBZTBFUSY-QAPCUYQASA-N 0 3 310.401 2.247 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC000170672290 646657739 /nfs/dbraw/zinc/65/77/39/646657739.db2.gz RROBIGMXYNJDJL-TZMCWYRMSA-N 0 3 320.364 2.181 20 30 DEEDHN C=CCc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813111241 646731468 /nfs/dbraw/zinc/73/14/68/646731468.db2.gz DPHCJPOAZFFVFT-JTQLQIEISA-N 0 3 309.318 2.254 20 30 DEEDHN N#CC(C(=O)CCc1nnc[nH]1)c1cc(C(F)(F)F)ccn1 ZINC000813215575 646747658 /nfs/dbraw/zinc/74/76/58/646747658.db2.gz AACPLRBMSBTXGC-VIFPVBQESA-N 0 3 309.251 2.028 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3CCC(C)(C)CO3)CCC[C@@H]12 ZINC000991927605 646753420 /nfs/dbraw/zinc/75/34/20/646753420.db2.gz BMVPFNSXYWXWTN-FRQCXROJSA-N 0 3 318.461 2.328 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3CCC(C)(C)CO3)CCC[C@H]12 ZINC000991927627 646753674 /nfs/dbraw/zinc/75/36/74/646753674.db2.gz BMVPFNSXYWXWTN-JTDSTZFVSA-N 0 3 318.461 2.328 20 30 DEEDHN N#CC(C(=O)[C@@H]1C[C@]12CCc1ccccc12)C(=O)N1CCCC1 ZINC000173935831 646784007 /nfs/dbraw/zinc/78/40/07/646784007.db2.gz DJQIAPPXTFPRLN-ALKREAHSSA-N 0 3 308.381 2.222 20 30 DEEDHN COC(=O)CCN(Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC000174442943 646811629 /nfs/dbraw/zinc/81/16/29/646811629.db2.gz AVARDVGOUXPBFQ-UHFFFAOYSA-N 0 3 320.364 2.241 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc4c[nH]nc43)CCC[C@H]12 ZINC000992087211 646848835 /nfs/dbraw/zinc/84/88/35/646848835.db2.gz UXINXRPKVHAOFJ-YJBOKZPZSA-N 0 3 310.401 2.476 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)C3(c4cc(C)no4)CC3)CCC[C@H]12 ZINC000992125260 646863108 /nfs/dbraw/zinc/86/31/08/646863108.db2.gz HLKYSCOOAGQCFF-KSSFIOAISA-N 0 3 315.417 2.314 20 30 DEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnn(CCC)c3)CCC[C@@H]12 ZINC000992276141 646924267 /nfs/dbraw/zinc/92/42/67/646924267.db2.gz VDSDWZAFTWPSMF-WBVHZDCISA-N 0 3 302.422 2.206 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccsc3C)CCC[C@@H]12 ZINC000992283898 646928123 /nfs/dbraw/zinc/92/81/23/646928123.db2.gz LLKZDRVARSLNMF-WBVHZDCISA-N 0 3 302.443 2.345 20 30 DEEDHN C#CCNC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000815048564 646959827 /nfs/dbraw/zinc/95/98/27/646959827.db2.gz OMXSQBIKCAEJMV-UHFFFAOYSA-N 0 3 300.402 2.276 20 30 DEEDHN C#CCNC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000815048564 646959829 /nfs/dbraw/zinc/95/98/29/646959829.db2.gz OMXSQBIKCAEJMV-UHFFFAOYSA-N 0 3 300.402 2.276 20 30 DEEDHN C#CCCN1CC[C@@]2(NC(=O)c3oc(CC)nc3C)CCC[C@H]12 ZINC000992398645 646970165 /nfs/dbraw/zinc/97/01/65/646970165.db2.gz HFAYPIPWXFETEL-KSSFIOAISA-N 0 3 315.417 2.296 20 30 DEEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCO1 ZINC000815166235 646982642 /nfs/dbraw/zinc/98/26/42/646982642.db2.gz CYQAUNIIZHYDOF-VXGBXAGGSA-N 0 3 315.398 2.193 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)c3cccnc3)CCC[C@H]12 ZINC000992434674 646999762 /nfs/dbraw/zinc/99/97/62/646999762.db2.gz SBVMQPWDCLBDFS-HHXXYDBFSA-N 0 3 311.429 2.322 20 30 DEEDHN N#CC(C(=O)COc1ccc(Cl)c(F)c1)C(=O)N1CCCC1 ZINC000815904803 647063811 /nfs/dbraw/zinc/06/38/11/647063811.db2.gz QHOKFLDFKYYMAC-LLVKDONJSA-N 0 3 324.739 2.189 20 30 DEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cn(C)nc1Cl ZINC000815904602 647063966 /nfs/dbraw/zinc/06/39/66/647063966.db2.gz KVHBMBVDRIAFDT-GFCCVEGCSA-N 0 3 324.812 2.021 20 30 DEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12 ZINC000992550739 647107200 /nfs/dbraw/zinc/10/72/00/647107200.db2.gz QNTIQFITJYZVTO-FODLKZINSA-N 0 3 312.457 2.415 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCOCC4)CCC[C@H]12 ZINC000992552680 647108242 /nfs/dbraw/zinc/10/82/42/647108242.db2.gz YKNIHVXPOSUURK-RLFYNMQTSA-N 0 3 304.434 2.102 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001015307482 647229724 /nfs/dbraw/zinc/22/97/24/647229724.db2.gz PRNDQADECXSBIP-WBVHZDCISA-N 0 3 300.377 2.069 20 30 DEEDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000992911521 647317859 /nfs/dbraw/zinc/31/78/59/647317859.db2.gz AOVQXPJNBQASOD-SUMWQHHRSA-N 0 3 301.390 2.078 20 30 DEEDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCCC#N ZINC000818208963 647432570 /nfs/dbraw/zinc/43/25/70/647432570.db2.gz OEJXPZDDMUBECZ-INIZCTEOSA-N 0 3 302.422 2.122 20 30 DEEDHN N#CC(C(=O)CCc1nc(-c2ccncc2)no1)c1ccccn1 ZINC000915097345 647478544 /nfs/dbraw/zinc/47/85/44/647478544.db2.gz KOHDEYLJPMJBCR-CYBMUJFWSA-N 0 3 319.324 2.336 20 30 DEEDHN C#CCN(C)CCCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000818595873 647485692 /nfs/dbraw/zinc/48/56/92/647485692.db2.gz PVZJPOUPUIBHMI-UHFFFAOYSA-N 0 3 316.445 2.434 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1cnc(OC(C)C)c(Cl)c1 ZINC000818609096 647488094 /nfs/dbraw/zinc/48/80/94/647488094.db2.gz KKDOVBGEIMNMNM-UHFFFAOYSA-N 0 3 323.824 2.207 20 30 DEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(F)(F)F)s1 ZINC000818615744 647489423 /nfs/dbraw/zinc/48/94/23/647489423.db2.gz VFKQIQYBRJRXSU-UHFFFAOYSA-N 0 3 304.337 2.452 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H]1C ZINC000993339830 647619994 /nfs/dbraw/zinc/61/99/94/647619994.db2.gz TYLSTAAEUNXGLP-GXTWGEPZSA-N 0 3 313.405 2.117 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H]1C ZINC000993346402 647622286 /nfs/dbraw/zinc/62/22/86/647622286.db2.gz NZPITAGJADJYGH-HUUCEWRRSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1C ZINC000993395266 647647005 /nfs/dbraw/zinc/64/70/05/647647005.db2.gz LXNCDDGQFRPPHB-HUUCEWRRSA-N 0 3 316.449 2.378 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)nnc2C)[C@@H]1C ZINC000993398462 647649930 /nfs/dbraw/zinc/64/99/30/647649930.db2.gz RKMSVRUPGCGBAK-HOCLYGCPSA-N 0 3 302.422 2.252 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccn3cncc3c2)[C@H]1C ZINC000993535333 647692438 /nfs/dbraw/zinc/69/24/38/647692438.db2.gz JDAVXNCCZUPCPD-PBHICJAKSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2F)[C@@H]1C ZINC000993572030 647694803 /nfs/dbraw/zinc/69/48/03/647694803.db2.gz RHLDUNILKPHRQD-SUMWQHHRSA-N 0 3 318.392 2.440 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2COC)[C@H]1C ZINC000993576374 647696003 /nfs/dbraw/zinc/69/60/03/647696003.db2.gz ZTYBFDRYFBPFHV-CRAIPNDOSA-N 0 3 314.429 2.439 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@H]1C ZINC000993627259 647717977 /nfs/dbraw/zinc/71/79/77/647717977.db2.gz XOODZVYWHQUJTN-IUODEOHRSA-N 0 3 303.406 2.118 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@@H]1C ZINC000993661845 647726942 /nfs/dbraw/zinc/72/69/42/647726942.db2.gz OEMDQKQHDDHRHP-BBRMVZONSA-N 0 3 310.401 2.169 20 30 DEEDHN CC(C)[C@@H](Cc1ccccc1)NN=C1CCN(CCO)CC1 ZINC000819809392 647729335 /nfs/dbraw/zinc/72/93/35/647729335.db2.gz GIVBJTLRLIUYNG-GOSISDBHSA-N 0 3 303.450 2.287 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@H]1C ZINC000993743350 647737224 /nfs/dbraw/zinc/73/72/24/647737224.db2.gz MKWFSOYOVASQHR-NVXWUHKLSA-N 0 3 311.429 2.106 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(F)c(OC)c2)[C@@H]1C ZINC000993846750 647755421 /nfs/dbraw/zinc/75/54/21/647755421.db2.gz OZCGEDLKNQYIAF-BBRMVZONSA-N 0 3 318.392 2.440 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2scnc2COC)[C@H]1C ZINC000993964163 647768721 /nfs/dbraw/zinc/76/87/21/647768721.db2.gz NUPRLMJLXHQHJK-OLZOCXBDSA-N 0 3 323.462 2.448 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)nc(C)n2)[C@H]1C ZINC000993974262 647772662 /nfs/dbraw/zinc/77/26/62/647772662.db2.gz PDBRPPCEYSGYTI-HIFRSBDPSA-N 0 3 302.422 2.252 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H]1C ZINC000994073892 647784492 /nfs/dbraw/zinc/78/44/92/647784492.db2.gz UTHKRRJHOLVWIP-DZGCQCFKSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3[nH]cnc32)[C@H]1C ZINC000994073898 647784733 /nfs/dbraw/zinc/78/47/33/647784733.db2.gz UTHKRRJHOLVWIP-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(CC)nn2C)[C@@H]1C ZINC000994087744 647787302 /nfs/dbraw/zinc/78/73/02/647787302.db2.gz BWNUTBAWNSJHLY-ZFWWWQNUSA-N 0 3 304.438 2.141 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@@H]1C ZINC000994138521 647800438 /nfs/dbraw/zinc/80/04/38/647800438.db2.gz YXCKNNFOMMTFKN-GJZGRUSLSA-N 0 3 316.449 2.150 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@H]1C ZINC000994190057 647802955 /nfs/dbraw/zinc/80/29/55/647802955.db2.gz OUZDQSOQLDVCQP-RHSMWYFYSA-N 0 3 316.449 2.452 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@@H]1CCCN(CC)[C@@H]1C ZINC000994211656 647805795 /nfs/dbraw/zinc/80/57/95/647805795.db2.gz ZHNVNWDXWRLENL-ZIAGYGMSSA-N 0 3 303.406 2.249 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H]1C ZINC000994225881 647812084 /nfs/dbraw/zinc/81/20/84/647812084.db2.gz DJNWMQRUKTVOJP-KGLIPLIRSA-N 0 3 304.438 2.233 20 30 DEEDHN C#C[C@H](CCC)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000820661689 647889299 /nfs/dbraw/zinc/88/92/99/647889299.db2.gz UOGIWDFPUMIYCV-NVXWUHKLSA-N 0 3 317.433 2.399 20 30 DEEDHN Cc1cc(C)cc(OCC(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000916866892 647934851 /nfs/dbraw/zinc/93/48/51/647934851.db2.gz LBVPARBOZGSLNL-OAHLLOKOSA-N 0 3 300.358 2.014 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2[nH]nc3ccccc32)[C@H]1C ZINC000994498472 647970443 /nfs/dbraw/zinc/97/04/43/647970443.db2.gz MUMBPLAWNHQVJI-GDBMZVCRSA-N 0 3 324.428 2.098 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2N(C)C)[C@H]1C ZINC000994505707 647974859 /nfs/dbraw/zinc/97/48/59/647974859.db2.gz KCDATJWZOJAKPZ-WBVHZDCISA-N 0 3 313.445 2.359 20 30 DEEDHN COCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917410430 647999666 /nfs/dbraw/zinc/99/96/66/647999666.db2.gz TWIAWKAKNSWHRR-NSHDSACASA-N 0 3 303.387 2.051 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2ncccc2OCC)[C@H]1C ZINC000994538883 648031989 /nfs/dbraw/zinc/03/19/89/648031989.db2.gz HHAOKYVUJPCTAQ-CABCVRRESA-N 0 3 315.417 2.086 20 30 DEEDHN C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000917909428 648040162 /nfs/dbraw/zinc/04/01/62/648040162.db2.gz OPLOYUILANZWEK-ZFWWWQNUSA-N 0 3 303.406 2.143 20 30 DEEDHN CCO[C@@H](CC)C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000920111001 648205106 /nfs/dbraw/zinc/20/51/06/648205106.db2.gz XFQNEFUOJIYICE-YPMHNXCESA-N 0 3 304.346 2.158 20 30 DEEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000822504291 648221387 /nfs/dbraw/zinc/22/13/87/648221387.db2.gz RAFAWJORLUPISP-GDBMZVCRSA-N 0 3 311.389 2.406 20 30 DEEDHN C#CCN(CC)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000920425105 648225749 /nfs/dbraw/zinc/22/57/49/648225749.db2.gz DNZNDEADPJHEIX-CYBMUJFWSA-N 0 3 301.308 2.400 20 30 DEEDHN N#CCCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920565868 648236661 /nfs/dbraw/zinc/23/66/61/648236661.db2.gz DEMPGACUWXEDAB-LLVKDONJSA-N 0 3 308.284 2.165 20 30 DEEDHN C#CCN(C(=O)N[C@H](C)c1ncc(C)s1)C1CCN(C)CC1 ZINC000921346468 648293240 /nfs/dbraw/zinc/29/32/40/648293240.db2.gz JTAGQFFNFNGXJO-CYBMUJFWSA-N 0 3 320.462 2.252 20 30 DEEDHN C[C@H]1[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CCN1C ZINC000925335359 648317800 /nfs/dbraw/zinc/31/78/00/648317800.db2.gz MQBVQZPHMJIULO-PQEBFOHHSA-N 0 3 312.417 2.028 20 30 DEEDHN C#CCN(C(=O)NC[C@@]1(C)CCCS1)C1CCN(C)CC1 ZINC000921440430 648317881 /nfs/dbraw/zinc/31/78/81/648317881.db2.gz ARVRFJMIZSGLCA-MRXNPFEDSA-N 0 3 309.479 2.011 20 30 DEEDHN CCCN(C(=O)c1ccc(C#N)cc1OC)[C@@H]1CCN(C)C1 ZINC000823499481 648433512 /nfs/dbraw/zinc/43/35/12/648433512.db2.gz KHLKMPSRGDULHR-CQSZACIVSA-N 0 3 301.390 2.123 20 30 DEEDHN COC(=O)N[C@@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000068335906 648446077 /nfs/dbraw/zinc/44/60/77/648446077.db2.gz USXLDWGRMVPRQL-QWRGUYRKSA-N 0 3 309.391 2.399 20 30 DEEDHN CN(CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)CC(C)(C)C ZINC000824175150 648539871 /nfs/dbraw/zinc/53/98/71/648539871.db2.gz OYNGSABEPJMMJP-INIZCTEOSA-N 0 3 317.433 2.028 20 30 DEEDHN C#CCO[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000826585396 648883756 /nfs/dbraw/zinc/88/37/56/648883756.db2.gz MRPMGPCWHWKXAH-DLBZAZTESA-N 0 3 314.429 2.148 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C(C)(C)C1 ZINC000940751835 648939451 /nfs/dbraw/zinc/93/94/51/648939451.db2.gz WRJNYDGTUOWUJR-ULQDDVLXSA-N 0 3 320.477 2.288 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nnc2C)C(C)(C)C1 ZINC000940770746 648942408 /nfs/dbraw/zinc/94/24/08/648942408.db2.gz BUKLUMJISCRWQW-HNNXBMFYSA-N 0 3 302.422 2.110 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cncc(COC)c2)C(C)(C)C1 ZINC000940807483 648946335 /nfs/dbraw/zinc/94/63/35/648946335.db2.gz QHTHEAWKJGKLFY-MRXNPFEDSA-N 0 3 317.433 2.244 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000940842920 648955782 /nfs/dbraw/zinc/95/57/82/648955782.db2.gz SCIMFDWCQAALBS-HNNXBMFYSA-N 0 3 301.434 2.485 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C(C)(C)C1 ZINC000940906221 648965781 /nfs/dbraw/zinc/96/57/81/648965781.db2.gz XUNZQPLMLAZHAK-PMPSAXMXSA-N 0 3 306.450 2.042 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000940985787 648982427 /nfs/dbraw/zinc/98/24/27/648982427.db2.gz CWLYOLANAMEQAO-QGZVFWFLSA-N 0 3 324.428 2.417 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C(C)(C)C1 ZINC000941033689 648990876 /nfs/dbraw/zinc/99/08/76/648990876.db2.gz RTHFKMFOZQJVSN-ZDUSSCGKSA-N 0 3 319.453 2.049 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C(F)F)c2)C(C)(C)C1 ZINC000941128899 649008336 /nfs/dbraw/zinc/00/83/36/649008336.db2.gz AJFFTKWRNGADRK-GFCCVEGCSA-N 0 3 312.364 2.295 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2)C(C)(C)C1 ZINC000941162304 649010627 /nfs/dbraw/zinc/01/06/27/649010627.db2.gz YGHQXQCHLDTQMI-HNNXBMFYSA-N 0 3 304.438 2.480 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC23CCOCC3)C(C)(C)C1 ZINC000941259616 649031140 /nfs/dbraw/zinc/03/11/40/649031140.db2.gz ZLUSQUNDXYWFKS-HZPDHXFCSA-N 0 3 318.461 2.043 20 30 DEEDHN Cc1ccc(N2CCCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1 ZINC000827463951 649039120 /nfs/dbraw/zinc/03/91/20/649039120.db2.gz MCNACOWTVZNVPA-KRWDZBQOSA-N 0 3 314.433 2.055 20 30 DEEDHN C#C[C@@H](NCc1cncc(Br)c1)C1CCOCC1 ZINC000827560345 649051388 /nfs/dbraw/zinc/05/13/88/649051388.db2.gz PDBYRXQCMDXKKC-CQSZACIVSA-N 0 3 309.207 2.362 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@H](C)C1 ZINC000942061048 649146709 /nfs/dbraw/zinc/14/67/09/649146709.db2.gz HYBNPWTWEZOFJF-ZIAGYGMSSA-N 0 3 316.449 2.171 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@H](C)C1 ZINC000942074982 649151188 /nfs/dbraw/zinc/15/11/88/649151188.db2.gz ACZJEFOSDXTBDS-HIFRSBDPSA-N 0 3 318.392 2.298 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000942123698 649162233 /nfs/dbraw/zinc/16/22/33/649162233.db2.gz VFVUGHLKUOKVIF-LRDDRELGSA-N 0 3 306.356 2.428 20 30 DEEDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2ccncc2C#N)C1 ZINC000828312850 649164069 /nfs/dbraw/zinc/16/40/69/649164069.db2.gz JBUFUASIBPVTKI-DZGCQCFKSA-N 0 3 316.405 2.300 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cncc(Cl)c2C)[C@H](C)C1 ZINC000942145480 649167439 /nfs/dbraw/zinc/16/74/39/649167439.db2.gz ZYCIQKUECQPMEE-IAQYHMDHSA-N 0 3 305.809 2.117 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)[C@@H](C)C1 ZINC000942147935 649168435 /nfs/dbraw/zinc/16/84/35/649168435.db2.gz OIYOAZNMUIJDFL-SWLSCSKDSA-N 0 3 311.385 2.210 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H](C)C1 ZINC000942183310 649177517 /nfs/dbraw/zinc/17/75/17/649177517.db2.gz HANMOEPDBYASBZ-SWLSCSKDSA-N 0 3 319.474 2.152 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncoc2C(F)(F)F)[C@H](C)C1 ZINC000942201586 649182138 /nfs/dbraw/zinc/18/21/38/649182138.db2.gz YDOASWCBCUYZHF-NXEZZACHSA-N 0 3 317.311 2.320 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2n[nH]c(C3CC3)c2Cl)[C@H](C)C1 ZINC000942270650 649193940 /nfs/dbraw/zinc/19/39/40/649193940.db2.gz FDLDRQVGGFQFHE-ZYHUDNBSSA-N 0 3 320.824 2.014 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000942395301 649214487 /nfs/dbraw/zinc/21/44/87/649214487.db2.gz XLUNJLWTGDMEMU-NVXWUHKLSA-N 0 3 314.429 2.006 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)[C@H](C)C1 ZINC000942495905 649226182 /nfs/dbraw/zinc/22/61/82/649226182.db2.gz INEPTGHOZUZPCQ-PBHICJAKSA-N 0 3 322.412 2.093 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2nc3c(s2)CCC3)[C@H](C)C1 ZINC000942487250 649228211 /nfs/dbraw/zinc/22/82/11/649228211.db2.gz SKKAKEWTISDZBV-NEPJUHHUSA-N 0 3 305.447 2.258 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)[C@H](C)C1 ZINC000942518476 649231574 /nfs/dbraw/zinc/23/15/74/649231574.db2.gz SCENHAOGKRDBEH-GDBMZVCRSA-N 0 3 322.412 2.093 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@@H](C)C1 ZINC000942524005 649233794 /nfs/dbraw/zinc/23/37/94/649233794.db2.gz ZSMZDADEYLLTAM-SWLSCSKDSA-N 0 3 315.417 2.324 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)[C@H](C)C1 ZINC000942523750 649233865 /nfs/dbraw/zinc/23/38/65/649233865.db2.gz VUCNKYMHIJMVNM-ZBFHGGJFSA-N 0 3 312.417 2.269 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)ccnc2OCC)[C@@H](C)C1 ZINC000942530197 649235707 /nfs/dbraw/zinc/23/57/07/649235707.db2.gz PMCLMPRZMOHZCL-GJZGRUSLSA-N 0 3 317.433 2.415 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@H](C)C1 ZINC000942543493 649241469 /nfs/dbraw/zinc/24/14/69/649241469.db2.gz WSEGGNJGDKTOFN-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](C)C1 ZINC000942571624 649249793 /nfs/dbraw/zinc/24/97/93/649249793.db2.gz 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ZINC000943208524 649350267 /nfs/dbraw/zinc/35/02/67/649350267.db2.gz LRYVBEWRWARELP-ZBFHGGJFSA-N 0 3 322.412 2.150 20 30 DEEDHN COCCN1[C@H](C)CN(Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000830070113 649389485 /nfs/dbraw/zinc/38/94/85/649389485.db2.gz KDJPLBUISOYSMU-IYBDPMFKSA-N 0 3 301.434 2.294 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)nc2C(C)(C)C)[C@H](C)C1 ZINC000943646804 649408559 /nfs/dbraw/zinc/40/85/59/649408559.db2.gz OBPYGSSFRBTQCY-HIFRSBDPSA-N 0 3 318.465 2.344 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CCC)c2C)[C@@H](C)C1 ZINC000943761136 649423632 /nfs/dbraw/zinc/42/36/32/649423632.db2.gz IAABUJIUICKGGL-BBRMVZONSA-N 0 3 304.438 2.228 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(-c3cnco3)c2)[C@@H](C)C1 ZINC000943875089 649449767 /nfs/dbraw/zinc/44/97/67/649449767.db2.gz BIIMSWGYTKRRLM-YOEHRIQHSA-N 0 3 323.396 2.415 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cnoc2C2CC2)[C@H](C)C1 ZINC000943952325 649463726 /nfs/dbraw/zinc/46/37/26/649463726.db2.gz ZBOYTSOHWJRHJQ-IUODEOHRSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)[C@@H](C)C1 ZINC000944044872 649474654 /nfs/dbraw/zinc/47/46/54/649474654.db2.gz AYCKXXHOQDCJBF-KBPBESRZSA-N 0 3 317.433 2.436 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H](C)C1 ZINC000944170012 649490509 /nfs/dbraw/zinc/49/05/09/649490509.db2.gz RLSBNDICKMPHNZ-GDBMZVCRSA-N 0 3 301.434 2.287 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC#CC)C[C@H]1C ZINC000944445262 649527160 /nfs/dbraw/zinc/52/71/60/649527160.db2.gz ONMISIAHDUIZND-APWZRJJASA-N 0 3 308.425 2.060 20 30 DEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CC#CC)C[C@H]1C ZINC000944445265 649527563 /nfs/dbraw/zinc/52/75/63/649527563.db2.gz ONMISIAHDUIZND-VQIMIIECSA-N 0 3 308.425 2.060 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccnc2OCC)[C@H](C)C1 ZINC000944554858 649533781 /nfs/dbraw/zinc/53/37/81/649533781.db2.gz VEFJMYWCNKJNDK-UKRRQHHQSA-N 0 3 303.406 2.107 20 30 DEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000948566374 649581048 /nfs/dbraw/zinc/58/10/48/649581048.db2.gz NHFXFFKAPPSLHW-MRXNPFEDSA-N 0 3 316.449 2.198 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(COC)cc2)[C@H](C)C1 ZINC000944891557 649581226 /nfs/dbraw/zinc/58/12/26/649581226.db2.gz UZSCOYGRGWHOEM-CRAIPNDOSA-N 0 3 314.429 2.297 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H](C)C1 ZINC000945005762 649597963 /nfs/dbraw/zinc/59/79/63/649597963.db2.gz FEXZYCZBHYCYQN-DOTOQJQBSA-N 0 3 309.413 2.101 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000945027865 649600036 /nfs/dbraw/zinc/60/00/36/649600036.db2.gz CNFBJWHGSSDOHN-SMDDNHRTSA-N 0 3 323.824 2.370 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC000945336198 649649243 /nfs/dbraw/zinc/64/92/43/649649243.db2.gz SOHCKPHHKVDZJV-QAPCUYQASA-N 0 3 323.440 2.181 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnc(CC)s2)[C@@H](C)C1 ZINC000945365627 649649975 /nfs/dbraw/zinc/64/99/75/649649975.db2.gz LLTBXRFRUIBDOC-STQMWFEESA-N 0 3 305.447 2.169 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCSC3(CCC3)C2)CC1 ZINC000834753546 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Cn1cc(CN2CCN(C)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000846888955 651359582 /nfs/dbraw/zinc/35/95/82/651359582.db2.gz MKIHZMGZTOXINS-UHFFFAOYSA-N 0 3 323.444 2.485 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000847378785 651392761 /nfs/dbraw/zinc/39/27/61/651392761.db2.gz PJSUSFLYZWTTQI-INIZCTEOSA-N 0 3 321.465 2.075 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC000847621610 651405848 /nfs/dbraw/zinc/40/58/48/651405848.db2.gz OUPAYHGBKKERBA-HNNXBMFYSA-N 0 3 320.364 2.010 20 30 DEEDHN N#Cc1ccc(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000855055741 651618546 /nfs/dbraw/zinc/61/85/46/651618546.db2.gz IQICXDMDJVJYRZ-HZPDHXFCSA-N 0 3 301.365 2.444 20 30 DEEDHN C#CCOc1ccc(Br)cc1CN[C@H]1C[C@H](O)C1 ZINC000850417964 651924726 /nfs/dbraw/zinc/92/47/26/651924726.db2.gz SWKDVOMOMHLUFH-JOCQHMNTSA-N 0 3 310.191 2.074 20 30 DEEDHN N#Cc1ccc2c(c1)[C@H](NCC[S@](=O)CC(F)(F)F)CC2 ZINC000850495968 651939683 /nfs/dbraw/zinc/93/96/83/651939683.db2.gz LOIROVKSALGOMI-ASSNKEHSSA-N 0 3 316.348 2.446 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](OC)C2)c1 ZINC000850757848 651982712 /nfs/dbraw/zinc/98/27/12/651982712.db2.gz RUMBIWOZRWFBOP-TUKIKUTGSA-N 0 3 316.357 2.158 20 30 DEEDHN CC(C)(C)OC(=O)[C@@H](C(=O)C(C#N)c1ccncn1)C1CC1 ZINC000850948593 652026052 /nfs/dbraw/zinc/02/60/52/652026052.db2.gz ULUMAHZPHIXPLO-WCQYABFASA-N 0 3 301.346 2.021 20 30 DEEDHN C=CCN1CCC(NC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858236257 652286295 /nfs/dbraw/zinc/28/62/95/652286295.db2.gz GMAILDQAGDUGEL-UHFFFAOYSA-N 0 3 303.406 2.150 20 30 DEEDHN C#C[C@@](C)(CC)NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000852101677 652339827 /nfs/dbraw/zinc/33/98/27/652339827.db2.gz GNARKZIEMURLLC-AEFFLSMTSA-N 0 3 318.392 2.117 20 30 DEEDHN CC(C)(C)OC(=O)NCCOCCN1CCC[C@@H](CC#N)C1 ZINC000852319399 652384774 /nfs/dbraw/zinc/38/47/74/652384774.db2.gz LVOGNIGXVAOFPQ-AWEZNQCLSA-N 0 3 311.426 2.153 20 30 DEEDHN C=CCNC(=O)CN[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731933 652445447 /nfs/dbraw/zinc/44/54/47/652445447.db2.gz NYRGOFQYEYOSPM-HOTGVXAUSA-N 0 3 310.825 2.290 20 30 DEEDHN C#CCCN(CCOC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000852753142 652450405 /nfs/dbraw/zinc/45/04/05/652450405.db2.gz YZIYKWDPSVGOAZ-HNNXBMFYSA-N 0 3 311.809 2.051 20 30 DEEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852780296 652455953 /nfs/dbraw/zinc/45/59/53/652455953.db2.gz GSSYXSSSMBORMK-CQSZACIVSA-N 0 3 315.417 2.424 20 30 DEEDHN C#CCCCOc1cccnc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000853241545 652528620 /nfs/dbraw/zinc/52/86/20/652528620.db2.gz LCOYZPCVTXZTIA-HZPDHXFCSA-N 0 3 315.417 2.149 20 30 DEEDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C#CC2CC2)CC1 ZINC000854334776 652680990 /nfs/dbraw/zinc/68/09/90/652680990.db2.gz QWNPWFHJDQHSRT-KRWDZBQOSA-N 0 3 320.477 2.120 20 30 DEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)NCc1ccc(F)cc1F ZINC001374415891 1157847250 /nfs/dbraw/zinc/84/72/50/1157847250.db2.gz QSOBHQUEQFLWOC-NHYWBVRUSA-N 0 3 309.360 2.355 20 30 DEEDHN C[C@H]1[C@@H](NC(=O)CSCc2ccc(C#N)cc2)CCN1C ZINC000928460119 693786719 /nfs/dbraw/zinc/78/67/19/693786719.db2.gz ZCSMUSIRRLHSFM-WFASDCNBSA-N 0 3 303.431 2.000 20 30 DEEDHN CC(=O)NC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000092669543 684044600 /nfs/dbraw/zinc/04/46/00/684044600.db2.gz IGFUZSDYXIVODD-ZDUSSCGKSA-N 0 3 301.390 2.078 20 30 DEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000113653032 684062305 /nfs/dbraw/zinc/06/23/05/684062305.db2.gz CXSDYLGOPNGVTK-KOLCDFICSA-N 0 3 324.739 2.257 20 30 DEEDHN COCCCNC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000119556328 684083686 /nfs/dbraw/zinc/08/36/86/684083686.db2.gz XNBHHDDBYSBONP-OAHLLOKOSA-N 0 3 316.401 2.216 20 30 DEEDHN CSCC[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130183976 684186421 /nfs/dbraw/zinc/18/64/21/684186421.db2.gz OHJXOZZKDLQELY-LBPRGKRZSA-N 0 3 312.460 2.063 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnc(C3CC3)o1)C2 ZINC001054146789 693861914 /nfs/dbraw/zinc/86/19/14/693861914.db2.gz RILFEIGZSGJFHB-GOSISDBHSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1c(C)cncc1C)C2 ZINC001054163704 693867873 /nfs/dbraw/zinc/86/78/73/693867873.db2.gz PEVGYUXDJJUNOM-IBGZPJMESA-N 0 3 311.429 2.260 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](OC)C1CCC1)C2 ZINC001054172105 693870016 /nfs/dbraw/zinc/87/00/16/693870016.db2.gz GXVWPFVDOIOOGX-HKUYNNGSSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC1CC(OCC)C1)C2 ZINC001054182578 693873396 /nfs/dbraw/zinc/87/33/96/693873396.db2.gz NGZAJGKPIAAPMK-TVPLGVNVSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ocnc1C1CC1)C2 ZINC001054197287 693877616 /nfs/dbraw/zinc/87/76/16/693877616.db2.gz UZSHMZITJQHXDI-SFHVURJKSA-N 0 3 313.401 2.113 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc3c(c1)CCO3)C2 ZINC001054203301 693881719 /nfs/dbraw/zinc/88/17/19/693881719.db2.gz QSUZWLJPJYHAQV-FQEVSTJZSA-N 0 3 324.424 2.183 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c(c1)COC3)C2 ZINC001054212851 693884876 /nfs/dbraw/zinc/88/48/76/693884876.db2.gz OKNKOIXDFLDUFF-HXUWFJFHSA-N 0 3 324.424 2.278 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cccc3nc[nH]c31)C2 ZINC001054217772 693886913 /nfs/dbraw/zinc/88/69/13/693886913.db2.gz FDTUTQUUDNZGQH-LJQANCHMSA-N 0 3 322.412 2.124 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cnn(C(C)C)c1)C2 ZINC001054227678 693891250 /nfs/dbraw/zinc/89/12/50/693891250.db2.gz QKXXLEHNUVZBGM-GOSISDBHSA-N 0 3 314.433 2.025 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ncccc1Cl)C2 ZINC001054230407 693892997 /nfs/dbraw/zinc/89/29/97/693892997.db2.gz SLONOQIQHZSTOC-KRWDZBQOSA-N 0 3 317.820 2.296 20 30 DEEDHN C[C@H]1CN(C(=O)CC2CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054325175 693932214 /nfs/dbraw/zinc/93/22/14/693932214.db2.gz XIYDNLYAPRDKEL-SJCJKPOMSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054315064 693925964 /nfs/dbraw/zinc/92/59/64/693925964.db2.gz CMMXTBLWIUVTFP-GWCFXTLKSA-N 0 3 309.410 2.304 20 30 DEEDHN C[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054316291 693926946 /nfs/dbraw/zinc/92/69/46/693926946.db2.gz 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/nfs/dbraw/zinc/30/14/96/686301496.db2.gz RWANVUQJURCVNM-UKRRQHHQSA-N 0 3 301.390 2.030 20 30 DEEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001054636033 694011833 /nfs/dbraw/zinc/01/18/33/694011833.db2.gz IZVLYZANOWNIHX-YVEFUNNKSA-N 0 3 318.367 2.315 20 30 DEEDHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CCCN1C ZINC000862725091 686365092 /nfs/dbraw/zinc/36/50/92/686365092.db2.gz DBDVQZSKKPFQCR-CYBMUJFWSA-N 0 3 312.373 2.074 20 30 DEEDHN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC001054662412 694018321 /nfs/dbraw/zinc/01/83/21/694018321.db2.gz HASDJVUBKRAEEV-WBMJQRKESA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054664733 694019721 /nfs/dbraw/zinc/01/97/21/694019721.db2.gz LGYNWRXJUPKCPX-FZMZJTMJSA-N 0 3 303.431 2.356 20 30 DEEDHN Cc1cccc([N-]N=C2c3ccccc3N(CCN(C)C)C2=O)[nH+]1 ZINC000863160270 686439147 /nfs/dbraw/zinc/43/91/47/686439147.db2.gz XGOYVICZXJINLW-UHFFFAOYSA-N 0 3 323.400 2.114 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2c(c1)CCCO2 ZINC000930103000 694090976 /nfs/dbraw/zinc/09/09/76/694090976.db2.gz LLQMZFVVQHVPSR-UHFFFAOYSA-N 0 3 301.390 2.088 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2-n2cccn2)C1 ZINC001015757343 687409492 /nfs/dbraw/zinc/40/94/92/687409492.db2.gz HCHVXFOTKKIPCI-OAHLLOKOSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001015831307 687436467 /nfs/dbraw/zinc/43/64/67/687436467.db2.gz QYATUMSTTVHCPD-SECBINFHSA-N 0 3 317.220 2.107 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001015856313 687442717 /nfs/dbraw/zinc/44/27/17/687442717.db2.gz RZRPLPIVXHASQH-MRXNPFEDSA-N 0 3 310.401 2.253 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001016046628 687510012 /nfs/dbraw/zinc/51/00/12/687510012.db2.gz OYEUZDIANACQCW-FUHWJXTLSA-N 0 3 314.429 2.457 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001016343302 687596303 /nfs/dbraw/zinc/59/63/03/687596303.db2.gz IKDUYHIWNJJKPM-ZBFHGGJFSA-N 0 3 300.402 2.013 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000866540554 687604853 /nfs/dbraw/zinc/60/48/53/687604853.db2.gz QMOXAZVQARBISA-DIFFPNOSSA-N 0 3 308.385 2.252 20 30 DEEDHN C#Cc1ccc(NC(=O)CCN2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000930270814 694124489 /nfs/dbraw/zinc/12/44/89/694124489.db2.gz SOBZVARHBNVYQH-KBXCAEBGSA-N 0 3 312.413 2.496 20 30 DEEDHN N#Cc1cccc(CN2CCC3(C[C@H]3NC(=O)C3CC3)CC2)c1 ZINC001016454231 687625551 /nfs/dbraw/zinc/62/55/51/687625551.db2.gz GNHIQWXTGRSFRQ-QGZVFWFLSA-N 0 3 309.413 2.439 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cnc(C3CC3)o2)CC1 ZINC001016664953 687677885 /nfs/dbraw/zinc/67/78/85/687677885.db2.gz SVSXFOPKVARJTJ-OAHLLOKOSA-N 0 3 313.401 2.160 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc(C(C)C)on2)CC1 ZINC001016750634 687695366 /nfs/dbraw/zinc/69/53/66/687695366.db2.gz FYVMFHRXNQLGQL-OAHLLOKOSA-N 0 3 301.390 2.016 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2cc(F)ccc2F)CC1 ZINC001016794949 687704626 /nfs/dbraw/zinc/70/46/26/687704626.db2.gz BCSPJMVVKCHKMN-MRXNPFEDSA-N 0 3 318.367 2.111 20 30 DEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccncc2Cl)CC1 ZINC001016844506 687716081 /nfs/dbraw/zinc/71/60/81/687716081.db2.gz YPLZZPHUHWPQKA-HNNXBMFYSA-N 0 3 317.820 2.343 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2oc(CCC)nc2C)CC1 ZINC001016924635 687734760 /nfs/dbraw/zinc/73/47/60/687734760.db2.gz CGYHHRZBVKFJQY-AWEZNQCLSA-N 0 3 315.417 2.153 20 30 DEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC001016953186 687741288 /nfs/dbraw/zinc/74/12/88/687741288.db2.gz BXWKFOMVENLEDZ-ROUUACIJSA-N 0 3 324.424 2.252 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccccc2OCC)CC1 ZINC001016953871 687742183 /nfs/dbraw/zinc/74/21/83/687742183.db2.gz XIQKTXWHEMFULY-QGZVFWFLSA-N 0 3 312.413 2.303 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2c[nH]c3ncccc23)CC1 ZINC001016980081 687748646 /nfs/dbraw/zinc/74/86/46/687748646.db2.gz WHVIDGUTBHLDOH-MRXNPFEDSA-N 0 3 322.412 2.171 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CC2CCC(OC)CC2)CC1 ZINC001016996506 687752674 /nfs/dbraw/zinc/75/26/74/687752674.db2.gz FIQDVOOSLCGEQJ-OFLPRAFFSA-N 0 3 318.461 2.186 20 30 DEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2csc(C3CC3)n2)CC1 ZINC001016996739 687752981 /nfs/dbraw/zinc/75/29/81/687752981.db2.gz GGMPHGRWMLAMLP-CQSZACIVSA-N 0 3 315.442 2.238 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000868026943 687881130 /nfs/dbraw/zinc/88/11/30/687881130.db2.gz OYDIGQLBHXIBPX-GRYCIOLGSA-N 0 3 303.328 2.411 20 30 DEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@@H]1C ZINC001017509816 687904637 /nfs/dbraw/zinc/90/46/37/687904637.db2.gz QJLGFMJSVPYHPL-WCXIOVBPSA-N 0 3 306.450 2.443 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1nc(C)cc1C ZINC001017781602 687960120 /nfs/dbraw/zinc/96/01/20/687960120.db2.gz GVYARYKAUOVYPZ-CALCHBBNSA-N 0 3 316.449 2.141 20 30 DEEDHN CN(C)C[C@@H](NC(=O)c1coc(C#N)c1)c1ccc(F)cc1 ZINC000868347257 687985485 /nfs/dbraw/zinc/98/54/85/687985485.db2.gz KOLSNRZFHBVFDX-OAHLLOKOSA-N 0 3 301.321 2.323 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nccnc21 ZINC001018093875 688052405 /nfs/dbraw/zinc/05/24/05/688052405.db2.gz QLVCOWUVSHNCFT-GASCZTMLSA-N 0 3 322.412 2.495 20 30 DEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]c2ncccc12 ZINC001018322534 688109829 /nfs/dbraw/zinc/10/98/29/688109829.db2.gz VOOFNHOVONREFG-IYBDPMFKSA-N 0 3 324.428 2.357 20 30 DEEDHN Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018632562 688189753 /nfs/dbraw/zinc/18/97/53/688189753.db2.gz OFBHRISTLZLNHZ-STQMWFEESA-N 0 3 305.809 2.499 20 30 DEEDHN N#Cc1cc(CN[C@H]2CCN(C(=O)C=C3CCC3)C2)ccc1F ZINC001018704440 688212372 /nfs/dbraw/zinc/21/23/72/688212372.db2.gz NTZQWNHHXBWHQS-INIZCTEOSA-N 0 3 313.376 2.498 20 30 DEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC001019219390 688302251 /nfs/dbraw/zinc/30/22/51/688302251.db2.gz UUOOOARMSROWAX-INIZCTEOSA-N 0 3 300.377 2.071 20 30 DEEDHN C#Cc1ccc(C(=O)N2CC[C@H](NCc3cncc(F)c3)C2)cc1 ZINC001019223104 688302704 /nfs/dbraw/zinc/30/27/04/688302704.db2.gz GKTBSYMDICCSJJ-SFHVURJKSA-N 0 3 323.371 2.206 20 30 DEEDHN CN(Cc1ccccc1S(N)(=O)=O)CC1CCC(C#N)CC1 ZINC000930566283 694190768 /nfs/dbraw/zinc/19/07/68/694190768.db2.gz QPAMLJIOYSBXAP-UHFFFAOYSA-N 0 3 321.446 2.096 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3ccnc(OC)c3)C2)C1 ZINC001019353325 688337408 /nfs/dbraw/zinc/33/74/08/688337408.db2.gz DMWUJSFFZINXFS-HNNXBMFYSA-N 0 3 315.417 2.137 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001020261639 688491688 /nfs/dbraw/zinc/49/16/88/688491688.db2.gz KVQNGOXYZIGNFN-XYPYZODXSA-N 0 3 321.764 2.136 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc3c2CCOC3)C1 ZINC001020382684 688511067 /nfs/dbraw/zinc/51/10/67/688511067.db2.gz JYLXKILFMOUXFB-HDJSIYSDSA-N 0 3 320.820 2.362 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001020381671 688511381 /nfs/dbraw/zinc/51/13/81/688511381.db2.gz UMGFJZUYKFRCKD-JOCQHMNTSA-N 0 3 316.792 2.233 20 30 DEEDHN N#Cc1ccccc1CNC1CCC(NC(=O)c2cocn2)CC1 ZINC001026465180 688524887 /nfs/dbraw/zinc/52/48/87/688524887.db2.gz LQPZZAVCBFTBIQ-UHFFFAOYSA-N 0 3 324.384 2.377 20 30 DEEDHN Cc1nccn1CCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871069840 688723303 /nfs/dbraw/zinc/72/33/03/688723303.db2.gz AVMPMJRAYKOBSQ-UHFFFAOYSA-N 0 3 308.345 2.358 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000930778432 694240245 /nfs/dbraw/zinc/24/02/45/694240245.db2.gz LVTKPHYSAAQBHQ-UHFFFAOYSA-N 0 3 314.311 2.177 20 30 DEEDHN N#Cc1cccc(S(=O)(=O)CCNCC[C@@H]2CCCS2)c1 ZINC000872224226 688957899 /nfs/dbraw/zinc/95/78/99/688957899.db2.gz ZUGKTHDPGHHFSH-AWEZNQCLSA-N 0 3 324.471 2.207 20 30 DEEDHN CC[C@@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1)N(C)C ZINC001056671592 694250093 /nfs/dbraw/zinc/25/00/93/694250093.db2.gz FVQFHHWECMESEM-WBMJQRKESA-N 0 3 318.396 2.050 20 30 DEEDHN Cc1nn(C)c2nc(Cl)cc(N=NC3CN(C)C[C@@H]3C)c12 ZINC000872423185 688997834 /nfs/dbraw/zinc/99/78/34/688997834.db2.gz FZUINMVQJIJCFE-QMMMGPOBSA-N 0 3 306.801 2.280 20 30 DEEDHN C#CCOc1ccc(C(=O)NCC2CN(CC[C@@H](C)F)C2)cc1 ZINC001032033298 689046353 /nfs/dbraw/zinc/04/63/53/689046353.db2.gz VHFYFKLQPNCAPE-CQSZACIVSA-N 0 3 318.392 2.108 20 30 DEEDHN C#CCCN1CC(CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001032168034 689076460 /nfs/dbraw/zinc/07/64/60/689076460.db2.gz MZCGQKJUVXKGKZ-UHFFFAOYSA-N 0 3 312.747 2.303 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001032404544 689142102 /nfs/dbraw/zinc/14/21/02/689142102.db2.gz MHAVOGHITPSFCM-KKUMJFAQSA-N 0 3 314.433 2.081 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(=C)C ZINC001032410889 689143035 /nfs/dbraw/zinc/14/30/35/689143035.db2.gz BBOGFDCLTORSNV-NXOAAHMSSA-N 0 3 304.434 2.219 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001032421206 689146469 /nfs/dbraw/zinc/14/64/69/689146469.db2.gz HQHXZKKENRPKQK-XIRDDKMYSA-N 0 3 316.449 2.079 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C(F)F)n1 ZINC001032437785 689151331 /nfs/dbraw/zinc/15/13/31/689151331.db2.gz QPUVSILYMVFRCW-STQMWFEESA-N 0 3 324.375 2.072 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032560345 689186378 /nfs/dbraw/zinc/18/63/78/689186378.db2.gz VRRCRZNXYHTJAQ-HOTGVXAUSA-N 0 3 306.450 2.300 20 30 DEEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCOC2)CC1 ZINC001032606015 689199027 /nfs/dbraw/zinc/19/90/27/689199027.db2.gz MGFPAXKXQNYQHU-SZMVWBNQSA-N 0 3 318.461 2.445 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCC2 ZINC001032643521 689210060 /nfs/dbraw/zinc/21/00/60/689210060.db2.gz GIHDRVUHNGGJHT-HOTGVXAUSA-N 0 3 312.413 2.486 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc2ccccc21 ZINC001032648933 689212564 /nfs/dbraw/zinc/21/25/64/689212564.db2.gz WULKTOFUQNMOLS-GJZGRUSLSA-N 0 3 322.412 2.495 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1 ZINC001032727337 689238957 /nfs/dbraw/zinc/23/89/57/689238957.db2.gz IUUYBBNPMOESTC-HOTGVXAUSA-N 0 3 302.422 2.329 20 30 DEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1OC ZINC001032770687 689255011 /nfs/dbraw/zinc/25/50/11/689255011.db2.gz ICQWRHMAQFEFQK-IRXDYDNUSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCN(C[C@H](O)COc1ccc2cc[nH]c2c1)[C@H](C)COC ZINC000930933227 694277982 /nfs/dbraw/zinc/27/79/82/694277982.db2.gz TUQMLDSFMZRJMW-ZBFHGGJFSA-N 0 3 318.417 2.431 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cncn2-c2ccccc2)C1 ZINC001033153517 689406635 /nfs/dbraw/zinc/40/66/35/689406635.db2.gz WANXVLZJSVKMMQ-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001033172299 689411286 /nfs/dbraw/zinc/41/12/86/689411286.db2.gz FLVRTZQQXNPINK-ZDUSSCGKSA-N 0 3 315.373 2.256 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cncc(OC)c2C)C1 ZINC001033190962 689418982 /nfs/dbraw/zinc/41/89/82/689418982.db2.gz NCMBZRKMOAKHRN-CQSZACIVSA-N 0 3 303.406 2.121 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2OC)C1 ZINC001033237304 689434772 /nfs/dbraw/zinc/43/47/72/689434772.db2.gz HWEUDEXZKBATRR-KRWDZBQOSA-N 0 3 314.429 2.102 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033249262 689438147 /nfs/dbraw/zinc/43/81/47/689438147.db2.gz XAWRDQLXTQUTQU-QGZVFWFLSA-N 0 3 311.429 2.130 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nncc3ccccc32)C1 ZINC001033255016 689440158 /nfs/dbraw/zinc/44/01/58/689440158.db2.gz IDUNOKPKWLJHSC-OAHLLOKOSA-N 0 3 310.401 2.352 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001033308162 689456487 /nfs/dbraw/zinc/45/64/87/689456487.db2.gz DNXRXIIOUOSABQ-MRXNPFEDSA-N 0 3 311.429 2.437 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2OC)C1 ZINC001033310768 689457395 /nfs/dbraw/zinc/45/73/95/689457395.db2.gz BNZZNATZHQKDTC-CQSZACIVSA-N 0 3 304.365 2.004 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001033424421 689495361 /nfs/dbraw/zinc/49/53/61/689495361.db2.gz RFESENHROFRQEQ-INIZCTEOSA-N 0 3 312.417 2.365 20 30 DEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cnc3ccccc3c2)C1 ZINC001033452863 689504455 /nfs/dbraw/zinc/50/44/55/689504455.db2.gz PAJUXYFUFCTDDN-QGZVFWFLSA-N 0 3 307.397 2.404 20 30 DEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000874834316 689508658 /nfs/dbraw/zinc/50/86/58/689508658.db2.gz RETJSBXCBHFTCJ-SJORKVTESA-N 0 3 309.413 2.285 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033493238 689521165 /nfs/dbraw/zinc/52/11/65/689521165.db2.gz VHJSTKKORNNQRT-IKGGRYGDSA-N 0 3 306.450 2.467 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cc(F)ccc2OC)C1 ZINC001033519428 689528242 /nfs/dbraw/zinc/52/82/42/689528242.db2.gz MGAMOUFZCGMYNL-INIZCTEOSA-N 0 3 320.408 2.486 20 30 DEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn(CCC)c2C)C1 ZINC001033529311 689532507 /nfs/dbraw/zinc/53/25/07/689532507.db2.gz KAQGNRXZJIPRKZ-HNNXBMFYSA-N 0 3 304.438 2.324 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033547877 689537340 /nfs/dbraw/zinc/53/73/40/689537340.db2.gz LWTGGRLKJJLLHH-INIZCTEOSA-N 0 3 307.397 2.404 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001033578363 689549511 /nfs/dbraw/zinc/54/95/11/689549511.db2.gz JVEMPRQAMFZEDM-INIZCTEOSA-N 0 3 318.465 2.342 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(COC)c(F)c2)C1 ZINC001033612836 689559915 /nfs/dbraw/zinc/55/99/15/689559915.db2.gz ICQSWMSRHVUXEW-INIZCTEOSA-N 0 3 318.392 2.142 20 30 DEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001033621653 689562366 /nfs/dbraw/zinc/56/23/66/689562366.db2.gz BUUIPXDGZZQODF-WBVHZDCISA-N 0 3 300.402 2.367 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001033698789 689587330 /nfs/dbraw/zinc/58/73/30/689587330.db2.gz YICOPAQPWVPHDH-OKZBNKHCSA-N 0 3 314.404 2.485 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c[nH]c(CC(C)C)n2)C1 ZINC001033831220 689630200 /nfs/dbraw/zinc/63/02/00/689630200.db2.gz AMRBTSOAGMTMPW-OAHLLOKOSA-N 0 3 316.449 2.168 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001033835666 689632533 /nfs/dbraw/zinc/63/25/33/689632533.db2.gz KMHHPYQJVYSTNT-CABCVRRESA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001033864646 689643021 /nfs/dbraw/zinc/64/30/21/689643021.db2.gz LXFAXDFPTPAKNR-RRFJBIMHSA-N 0 3 302.422 2.012 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccn3nccc23)C1 ZINC001033884490 689650096 /nfs/dbraw/zinc/65/00/96/689650096.db2.gz GHMMWPPKMHETLA-OAHLLOKOSA-N 0 3 312.417 2.447 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001033889683 689651990 /nfs/dbraw/zinc/65/19/90/689651990.db2.gz WHHHUXCWNLYGFE-CQSZACIVSA-N 0 3 316.449 2.267 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001033913132 689660091 /nfs/dbraw/zinc/66/00/91/689660091.db2.gz PBPFFXFNCGAVSC-AWEZNQCLSA-N 0 3 310.401 2.123 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc3nonc3c2)C1 ZINC001033944910 689669892 /nfs/dbraw/zinc/66/98/92/689669892.db2.gz VCCQGVXJIUPISV-CQSZACIVSA-N 0 3 314.389 2.335 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001033950767 689671504 /nfs/dbraw/zinc/67/15/04/689671504.db2.gz WZVIQNIGKYQELK-HUUCEWRRSA-N 0 3 316.449 2.329 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033956487 689672862 /nfs/dbraw/zinc/67/28/62/689672862.db2.gz GNQXWACAVDSYOU-ARFHVFGLSA-N 0 3 316.449 2.023 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033961702 689674608 /nfs/dbraw/zinc/67/46/08/689674608.db2.gz MXLKTEKGZADFBH-OAHLLOKOSA-N 0 3 318.392 2.394 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001033973114 689679235 /nfs/dbraw/zinc/67/92/35/689679235.db2.gz BPBGVMANBCVRNW-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)n(C)c2C)C1 ZINC001034033885 689701138 /nfs/dbraw/zinc/70/11/38/689701138.db2.gz DKJBLXJFPXXBGX-MRXNPFEDSA-N 0 3 301.434 2.202 20 30 DEEDHN CC(C)=CCN1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034165093 689751202 /nfs/dbraw/zinc/75/12/02/689751202.db2.gz JYZDFXVWEMTJQA-OAHLLOKOSA-N 0 3 300.406 2.437 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001034229610 689772677 /nfs/dbraw/zinc/77/26/77/689772677.db2.gz KUCKGQXCIKLFNX-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001034243640 689778847 /nfs/dbraw/zinc/77/88/47/689778847.db2.gz HVLMVNKQJKUVLZ-OAHLLOKOSA-N 0 3 315.417 2.006 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001034268375 689788428 /nfs/dbraw/zinc/78/84/28/689788428.db2.gz ITKPFAJTTDRACA-MRXNPFEDSA-N 0 3 324.428 2.250 20 30 DEEDHN C=CCCN1CCCC[C@H](NC(=O)c2snnc2CC)C1 ZINC001034296794 689799693 /nfs/dbraw/zinc/79/96/93/689799693.db2.gz LAVAXJZINFQGSJ-LBPRGKRZSA-N 0 3 308.451 2.261 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034307278 689804003 /nfs/dbraw/zinc/80/40/03/689804003.db2.gz TVJBLQGVZNXPIT-NUJGCVRESA-N 0 3 306.450 2.492 20 30 DEEDHN C#CCN(C)CCCNC(=O)Nc1cc(-c2ccoc2C)on1 ZINC000931110762 694317509 /nfs/dbraw/zinc/31/75/09/694317509.db2.gz XHBWFOURYYELRZ-UHFFFAOYSA-N 0 3 316.361 2.320 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001034397327 689836378 /nfs/dbraw/zinc/83/63/78/689836378.db2.gz KGZPVXCQKVCZPT-LSDHHAIUSA-N 0 3 313.873 2.194 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001034420035 689842717 /nfs/dbraw/zinc/84/27/17/689842717.db2.gz GLLQPWMPJSEELX-CQSZACIVSA-N 0 3 310.829 2.083 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000876557946 689856135 /nfs/dbraw/zinc/85/61/35/689856135.db2.gz JFHUWQIDOYPEPW-ZDUSSCGKSA-N 0 3 323.824 2.136 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(CC)nn2C)C1 ZINC001034459665 689858280 /nfs/dbraw/zinc/85/82/80/689858280.db2.gz ZSKXUGLMKUOVLV-OAHLLOKOSA-N 0 3 304.438 2.143 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001034463910 689858907 /nfs/dbraw/zinc/85/89/07/689858907.db2.gz BMCAWTJKTUFESL-MRXNPFEDSA-N 0 3 318.465 2.245 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3nccnc32)C1 ZINC001034464500 689860013 /nfs/dbraw/zinc/86/00/13/689860013.db2.gz YUYAKIJLDOZILO-CQSZACIVSA-N 0 3 310.401 2.400 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000876581566 689865112 /nfs/dbraw/zinc/86/51/12/689865112.db2.gz MUKHWGCWLRTVPJ-QMTHXVAHSA-N 0 3 309.797 2.292 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000876603357 689873008 /nfs/dbraw/zinc/87/30/08/689873008.db2.gz QNFJMDXKMSEAAQ-AWEZNQCLSA-N 0 3 323.824 2.463 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1N1CCOC1=O ZINC000876632645 689882644 /nfs/dbraw/zinc/88/26/44/689882644.db2.gz GRIMASDCGCYLIW-JTQLQIEISA-N 0 3 309.753 2.052 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2cc(OC)ccc2C1 ZINC000876648388 689888399 /nfs/dbraw/zinc/88/83/99/689888399.db2.gz ZVGQILODPSWYPT-OAHLLOKOSA-N 0 3 308.809 2.440 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](CCC(N)=O)C1 ZINC000876650118 689889041 /nfs/dbraw/zinc/88/90/41/689889041.db2.gz NTQAOQSEZPAXCQ-AWEZNQCLSA-N 0 3 314.433 2.102 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001034545531 689894549 /nfs/dbraw/zinc/89/45/49/689894549.db2.gz VCFUFNITAWPFBA-CVEARBPZSA-N 0 3 304.438 2.218 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000876672056 689896126 /nfs/dbraw/zinc/89/61/26/689896126.db2.gz KNLBZCROLCVISD-XQQFMLRXSA-N 0 3 300.830 2.310 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000876682560 689900638 /nfs/dbraw/zinc/90/06/38/689900638.db2.gz JVETUBKLHIQQFD-MFKMUULPSA-N 0 3 300.761 2.179 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000876684231 689901691 /nfs/dbraw/zinc/90/16/91/689901691.db2.gz KDORQRQKVOLYBR-KBPBESRZSA-N 0 3 300.830 2.407 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000876705139 689909603 /nfs/dbraw/zinc/90/96/03/689909603.db2.gz WSNVCSPPGUKPRX-HZPDHXFCSA-N 0 3 322.836 2.317 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N1CCC(O)CC1 ZINC000876731903 689919168 /nfs/dbraw/zinc/91/91/68/689919168.db2.gz NODHCDNZWJBSIQ-CYBMUJFWSA-N 0 3 323.824 2.056 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000876769262 689931744 /nfs/dbraw/zinc/93/17/44/689931744.db2.gz PZFRHGUCSJKAIW-UKRRQHHQSA-N 0 3 307.825 2.242 20 30 DEEDHN CN(C)c1ccc(C#N)cc1CN1CCC(Cn2ccnn2)CC1 ZINC000876815252 689945689 /nfs/dbraw/zinc/94/56/89/689945689.db2.gz VZUCHQVMUWXFFC-UHFFFAOYSA-N 0 3 324.432 2.128 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000876941003 689977925 /nfs/dbraw/zinc/97/79/25/689977925.db2.gz DSOSLPDWUCTQAI-MJBXVCDLSA-N 0 3 300.830 2.122 20 30 DEEDHN CN1CCN(c2ccc(NCc3cccc(C#N)n3)cc2)CC1 ZINC000876837416 689950695 /nfs/dbraw/zinc/95/06/95/689950695.db2.gz FDZIYXIFZCSXEY-UHFFFAOYSA-N 0 3 307.401 2.317 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000876881300 689962819 /nfs/dbraw/zinc/96/28/19/689962819.db2.gz DYKRIFSOKYVDFI-JKSUJKDBSA-N 0 3 322.836 2.317 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](COC)Cc1ccccc1 ZINC000876902350 689968719 /nfs/dbraw/zinc/96/87/19/689968719.db2.gz MZMMNESAJDGFQJ-LSDHHAIUSA-N 0 3 310.825 2.172 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000876901497 689968949 /nfs/dbraw/zinc/96/89/49/689968949.db2.gz FFFZOKSBGOWNKN-QLFBSQMISA-N 0 3 308.809 2.493 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]1c1noc(C)n1 ZINC000876906297 689970154 /nfs/dbraw/zinc/97/01/54/689970154.db2.gz VWIMRVKVYUYJSG-NEPJUHHUSA-N 0 3 312.801 2.292 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H]1CCc2ccccc2N1 ZINC000876948977 689979958 /nfs/dbraw/zinc/97/99/58/689979958.db2.gz YBIMZUDLPXHLMK-UONOGXRCSA-N 0 3 307.825 2.390 20 30 DEEDHN CC(C)(C)[C@H](N)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000877215751 690048339 /nfs/dbraw/zinc/04/83/39/690048339.db2.gz MUYDUVFRCOQVIJ-OAHLLOKOSA-N 0 3 311.389 2.115 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC000877230616 690051369 /nfs/dbraw/zinc/05/13/69/690051369.db2.gz BCZXEGQWJPIMOK-NVXWUHKLSA-N 0 3 303.381 2.495 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)CC2 ZINC001035708560 690157470 /nfs/dbraw/zinc/15/74/70/690157470.db2.gz XKBWQMBSVJGIAQ-HZPDHXFCSA-N 0 3 306.425 2.462 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](OC)C1)CC2 ZINC001035742891 690165621 /nfs/dbraw/zinc/16/56/21/690165621.db2.gz SXBBCOPLQUTUGM-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1c(C)cncc1C)CC2 ZINC001035749037 690167093 /nfs/dbraw/zinc/16/70/93/690167093.db2.gz LMPATVBSVXFYNF-UHFFFAOYSA-N 0 3 311.429 2.260 20 30 DEEDHN C#C[C@H](NCc1ccccc1OCCCCO)C1CCOCC1 ZINC000877637920 690175270 /nfs/dbraw/zinc/17/52/70/690175270.db2.gz PAKNFJJCCLXPDD-SFHVURJKSA-N 0 3 317.429 2.356 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC001035846788 690191940 /nfs/dbraw/zinc/19/19/40/690191940.db2.gz HZDFZWIQTPENRU-UHFFFAOYSA-N 0 3 314.404 2.316 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCOCC3)CC2 ZINC001035862840 690196917 /nfs/dbraw/zinc/19/69/17/690196917.db2.gz QHEJTGCWVVFGDJ-INIZCTEOSA-N 0 3 318.461 2.304 20 30 DEEDHN 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C=CCN1CC[C@@H]2CCN(C(=O)c3occ4c3CCC4)C[C@H]21 ZINC001042164637 691526699 /nfs/dbraw/zinc/52/66/99/691526699.db2.gz HVZYJDKXYXFJLF-CZUORRHYSA-N 0 3 300.402 2.491 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3cc(C)ccc3C)C[C@@H]21 ZINC001042215078 691537127 /nfs/dbraw/zinc/53/71/27/691537127.db2.gz XDESFDGSDHYVLP-MJGOQNOKSA-N 0 3 310.441 2.402 20 30 DEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3conc3C3CC3)C[C@@H]21 ZINC001042229588 691540767 /nfs/dbraw/zinc/54/07/67/691540767.db2.gz GOGBKOCIGYOGIJ-CJNGLKHVSA-N 0 3 313.401 2.112 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)C[C@@H]21 ZINC001042230453 691541394 /nfs/dbraw/zinc/54/13/94/691541394.db2.gz SBJZRRMIRBUWKP-GWCFXTLKSA-N 0 3 310.348 2.070 20 30 DEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]21 ZINC001042241707 691545317 /nfs/dbraw/zinc/54/53/17/691545317.db2.gz CHCJKFDNLOYXRJ-XJKSGUPXSA-N 0 3 300.406 2.010 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]21 ZINC001042241706 691545717 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CC#CCN1CC[C@H]2CCN(C(=O)COc3ccsc3)C[C@H]21 ZINC001042314710 691567732 /nfs/dbraw/zinc/56/77/32/691567732.db2.gz VKWCTQBFYMHYHP-GOEBONIOSA-N 0 3 318.442 2.073 20 30 DEEDHN C#Cc1ccccc1CC(=O)N1CC[C@H]2CCN(CC#CC)[C@@H]2C1 ZINC001042325111 691570650 /nfs/dbraw/zinc/57/06/50/691570650.db2.gz DFMCRGMDXQHMOP-UYAOXDASSA-N 0 3 320.436 2.157 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cn(C)nc3C(C)C)C[C@H]21 ZINC001042353638 691579975 /nfs/dbraw/zinc/57/99/75/691579975.db2.gz OKOUBBANRMUBAS-GDBMZVCRSA-N 0 3 316.449 2.266 20 30 DEEDHN CSc1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884044279 691639865 /nfs/dbraw/zinc/63/98/65/691639865.db2.gz AVQGDKZRRZIBBK-BGMSHATGSA-N 0 3 301.415 2.486 20 30 DEEDHN CN(Cc1ccc(Cl)s1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884056720 691642778 /nfs/dbraw/zinc/64/27/78/691642778.db2.gz IKGHDYXUANCMMD-VTWZXRTESA-N 0 3 323.849 2.499 20 30 DEEDHN CSc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884061895 691644760 /nfs/dbraw/zinc/64/47/60/691644760.db2.gz 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691664790 /nfs/dbraw/zinc/66/47/90/691664790.db2.gz ZNEXTSLLCOKKLE-UERKLNTKSA-N 0 3 303.450 2.410 20 30 DEEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccc(F)c1 ZINC000884146628 691666347 /nfs/dbraw/zinc/66/63/47/691666347.db2.gz NHQQXRRXUSTREE-HZEYSBKDSA-N 0 3 315.392 2.316 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)NC1(c3ccccc3F)CC1)C2 ZINC000884147781 691667167 /nfs/dbraw/zinc/66/71/67/691667167.db2.gz TYEQFSPNHUKAHW-JZLYGMAVSA-N 0 3 313.376 2.070 20 30 DEEDHN C=CCN1CCC(NC(=O)N(CC(F)F)C2CCC2)CC1 ZINC000884161290 691670639 /nfs/dbraw/zinc/67/06/39/691670639.db2.gz BLWOQJPHURWRRO-UHFFFAOYSA-N 0 3 301.381 2.466 20 30 DEEDHN CN(CC1(c2ccccc2)CC1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884322543 691710030 /nfs/dbraw/zinc/71/00/30/691710030.db2.gz PMMVICGZJANJBE-RYZJOYRSSA-N 0 3 323.440 2.316 20 30 DEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCCC[C@H]1C1CCC1)C2 ZINC000884376521 691723014 /nfs/dbraw/zinc/72/30/14/691723014.db2.gz KFQSURWUOJQQPW-NDUQDZPOSA-N 0 3 301.434 2.307 20 30 DEEDHN 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318.461 2.283 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccn(C)c1C)C2 ZINC001045963122 692063725 /nfs/dbraw/zinc/06/37/25/692063725.db2.gz GEODQYODLCYNKZ-LJQANCHMSA-N 0 3 313.445 2.285 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1C1CC1)C2 ZINC001045974227 692066288 /nfs/dbraw/zinc/06/62/88/692066288.db2.gz WJTZOKRSTXUPQO-YQVWRLOYSA-N 0 3 300.446 2.370 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1[nH]cnc1C)C2 ZINC001045989790 692070681 /nfs/dbraw/zinc/07/06/81/692070681.db2.gz OSSUTPZYNGAAMO-SFHVURJKSA-N 0 3 314.433 2.060 20 30 DEEDHN C=CCN1CC[C@H](N2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC001046079764 692081098 /nfs/dbraw/zinc/08/10/98/692081098.db2.gz BJWYOIVWFMYLJY-SFHVURJKSA-N 0 3 313.445 2.013 20 30 DEEDHN C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)C3CCCC3)CC2)C1 ZINC001046076645 692081119 /nfs/dbraw/zinc/08/11/19/692081119.db2.gz HFMLRLCSARLSRF-SJLPKXTDSA-N 0 3 319.493 2.217 20 30 DEEDHN C#CCN(C(=O)C[C@H]1CCC(C)(C)CO1)C1CCN(C)CC1 ZINC000886572491 692113003 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C#CCN1CCC[C@H](NC(=O)[C@H](C)c2cccc(OC)c2)CC1 ZINC001052961730 693657536 /nfs/dbraw/zinc/65/75/36/693657536.db2.gz REVRAXBHLBMGPB-WBVHZDCISA-N 0 3 314.429 2.403 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccncc2)C1 ZINC001053063473 693680073 /nfs/dbraw/zinc/68/00/73/693680073.db2.gz NJVJYFNSDRFVDC-ROUUACIJSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccccn2)C1 ZINC001053063112 693680413 /nfs/dbraw/zinc/68/04/13/693680413.db2.gz HFZZASOFQDDLPV-SJLPKXTDSA-N 0 3 311.429 2.422 20 30 DEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2c[nH]c(C)n2)C1 ZINC001053077847 693685036 /nfs/dbraw/zinc/68/50/36/693685036.db2.gz MPVQOHDAXDCNEW-NVXWUHKLSA-N 0 3 314.433 2.058 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccsn2)C1 ZINC001053086653 693686203 /nfs/dbraw/zinc/68/62/03/693686203.db2.gz DWTHDTVALGBXQR-ZBFHGGJFSA-N 0 3 317.458 2.483 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2nocc2C)C1 ZINC001053105969 693691293 /nfs/dbraw/zinc/69/12/93/693691293.db2.gz 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N#Cc1cc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC001355312528 1152001842 /nfs/dbraw/zinc/00/18/42/1152001842.db2.gz MICKWIDITPVKBQ-NSHDSACASA-N 0 3 322.390 2.193 20 30 DEEDHN C=CCC1(C(=O)NCCN(C)C(=O)[C@H](CC)N(C)C)CCCC1 ZINC001355735812 1152032741 /nfs/dbraw/zinc/03/27/41/1152032741.db2.gz IDRFDXIPHQONEG-HNNXBMFYSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@H]1CN(C(=O)CCCF)C[C@H]1NCc1ccc(C#N)s1 ZINC001402781348 1162470418 /nfs/dbraw/zinc/47/04/18/1162470418.db2.gz RTYHOBHATJMJTG-SMDDNHRTSA-N 0 3 309.410 2.306 20 30 DEEDHN Cc1ccc(CN(C)C)cc1NC(=O)CNc1ccc(C#N)cn1 ZINC001362034630 1152807426 /nfs/dbraw/zinc/80/74/26/1152807426.db2.gz HWPBLBMUZWIJLV-UHFFFAOYSA-N 0 3 323.400 2.374 20 30 DEEDHN CCCOC(=O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC001362115978 1152827253 /nfs/dbraw/zinc/82/72/53/1152827253.db2.gz QSAMZQCZUBMIMP-HNNXBMFYSA-N 0 3 302.374 2.218 20 30 DEEDHN CCOC(=O)[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC001362198537 1152847993 /nfs/dbraw/zinc/84/79/93/1152847993.db2.gz ITNKGNDWMUWWOS-HIFRSBDPSA-N 0 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/nfs/dbraw/zinc/55/41/56/1153554156.db2.gz APEGRRXUNDFWNK-QFBILLFUSA-N 0 3 305.381 2.353 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)C1CC=CC1 ZINC001570456424 1154463767 /nfs/dbraw/zinc/46/37/67/1154463767.db2.gz PIFYPVNQEVBRJC-NSHDSACASA-N 0 3 301.228 2.346 20 30 DEEDHN CCN(CCNC(=O)c1ccc(C)n1C)Cc1cccc(C#N)c1 ZINC001372275458 1156338090 /nfs/dbraw/zinc/33/80/90/1156338090.db2.gz QFIVFRHBOLTMMK-UHFFFAOYSA-N 0 3 324.428 2.457 20 30 DEEDHN COCc1cccc(CN2CCC[C@H]2CNC(=O)[C@@H](C)C#N)c1 ZINC001372506685 1156482807 /nfs/dbraw/zinc/48/28/07/1156482807.db2.gz BQRXLFVUKYCQBS-YOEHRIQHSA-N 0 3 315.417 2.073 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@H]2CO[C@H](C)C2)CCCC1 ZINC001391770942 1156797263 /nfs/dbraw/zinc/79/72/63/1156797263.db2.gz TWNLVTYWYVOUEA-CHWSQXEVSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1nccn1CC)C1CC1 ZINC001391791749 1156803866 /nfs/dbraw/zinc/80/38/66/1156803866.db2.gz UUXJVWKZERHFCF-OAHLLOKOSA-N 0 3 310.829 2.144 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001373672143 1157243474 /nfs/dbraw/zinc/24/34/74/1157243474.db2.gz WJMOKZCLGZLVSY-XJKSGUPXSA-N 0 3 310.401 2.360 20 30 DEEDHN Cc1conc1C(=O)N[C@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC001392711923 1157363212 /nfs/dbraw/zinc/36/32/12/1157363212.db2.gz NVGYHRYHZLGANJ-CYBMUJFWSA-N 0 3 312.373 2.105 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1nccs1 ZINC001392712133 1157363326 /nfs/dbraw/zinc/36/33/26/1157363326.db2.gz YYIUSXFMIFJHJB-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cncnc2)CCCC[C@@H]1C ZINC001373894585 1157441076 /nfs/dbraw/zinc/44/10/76/1157441076.db2.gz GNKLQINSRJCGFF-BLLLJJGKSA-N 0 3 322.840 2.497 20 30 DEEDHN C[C@H](CNCc1ccccc1C#N)CNC(=O)Cc1cccnc1 ZINC001374004687 1157540321 /nfs/dbraw/zinc/54/03/21/1157540321.db2.gz CSRMLGVTAUTZHM-OAHLLOKOSA-N 0 3 322.412 2.038 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1COc2ccccc2O1 ZINC001403478479 1162895533 /nfs/dbraw/zinc/89/55/33/1162895533.db2.gz ZSQWTOUZWHBKLX-DOMZBBRYSA-N 0 3 324.808 2.063 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001374472721 1157868523 /nfs/dbraw/zinc/86/85/23/1157868523.db2.gz UTVXACZLSSSADM-BLLLJJGKSA-N 0 3 303.381 2.363 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001393827004 1158012327 /nfs/dbraw/zinc/01/23/27/1158012327.db2.gz OHWDMPJXNHGLMC-JTQLQIEISA-N 0 3 321.812 2.117 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001393904882 1158057307 /nfs/dbraw/zinc/05/73/07/1158057307.db2.gz IMUMPIRATRQDCG-UHFFFAOYSA-N 0 3 323.824 2.252 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001393905702 1158057776 /nfs/dbraw/zinc/05/77/76/1158057776.db2.gz FDYXDKBUSRHLMZ-OPFPJEHXSA-N 0 3 307.825 2.422 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001394047133 1158203588 /nfs/dbraw/zinc/20/35/88/1158203588.db2.gz DQNNHCWIPLUVGH-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN Cc1cccc(CN(C)[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)c1 ZINC001394050171 1158208471 /nfs/dbraw/zinc/20/84/71/1158208471.db2.gz JOEFALDBYANEBN-AWEZNQCLSA-N 0 3 310.401 2.445 20 30 DEEDHN Cc1cc(C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)ccn1 ZINC001375497692 1158773858 /nfs/dbraw/zinc/77/38/58/1158773858.db2.gz ARKFCSWRXLQIJJ-UHFFFAOYSA-N 0 3 320.396 2.314 20 30 DEEDHN Cc1oncc1CN1CC[C@@H](NC(=O)[C@@H](C)C#N)CC(C)(C)C1 ZINC001375695580 1158850396 /nfs/dbraw/zinc/85/03/96/1158850396.db2.gz XABQPNNCUNCBHW-SWLSCSKDSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)OCC(C)C)C1 ZINC001375711730 1158853145 /nfs/dbraw/zinc/85/31/45/1158853145.db2.gz UPYQKLTVTAZXCN-HSBZDZAISA-N 0 3 302.846 2.284 20 30 DEEDHN C[C@H](CN(C)C(=O)[C@@H]1CC1(F)F)NCc1ccc(C#N)s1 ZINC001403565530 1163006541 /nfs/dbraw/zinc/00/65/41/1163006541.db2.gz XEILVBIWTSESSY-SKDRFNHKSA-N 0 3 313.373 2.211 20 30 DEEDHN CC[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1 ZINC001376356295 1159357380 /nfs/dbraw/zinc/35/73/80/1159357380.db2.gz LUJBXQFPDRJVHR-DAXOMENPSA-N 0 3 315.417 2.350 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001376879586 1159830764 /nfs/dbraw/zinc/83/07/64/1159830764.db2.gz KWQJEVIHTADRDR-HIFRSBDPSA-N 0 3 303.381 2.456 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001376914977 1159844663 /nfs/dbraw/zinc/84/46/63/1159844663.db2.gz VHTUOHNQSSMBLH-CABCVRRESA-N 0 3 315.889 2.296 20 30 DEEDHN C=CCN(C)CCN(C(=O)C[C@H](OC)C(F)(F)F)C(C)C ZINC001571616035 1159866426 /nfs/dbraw/zinc/86/64/26/1159866426.db2.gz OAQUBUUODJWLKV-LBPRGKRZSA-N 0 3 310.360 2.309 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001397049576 1159921842 /nfs/dbraw/zinc/92/18/42/1159921842.db2.gz LJFRCDRZUKZKEG-HZSPNIEDSA-N 0 3 302.846 2.284 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001397101371 1159984856 /nfs/dbraw/zinc/98/48/56/1159984856.db2.gz RXBBYFNWEBMFKB-KCQAQPDRSA-N 0 3 307.825 2.422 20 30 DEEDHN CCN(CCNC(=O)[C@@H](C)C#N)CCOc1cccc(Cl)c1 ZINC001377291307 1160141500 /nfs/dbraw/zinc/14/15/00/1160141500.db2.gz FHWPCXNJEFLTHF-ZDUSSCGKSA-N 0 3 323.824 2.317 20 30 DEEDHN Cc1cc(CN2CC[C@H](NC(=O)[C@H](C)C#N)CC(C)(C)C2)on1 ZINC001397813889 1160536509 /nfs/dbraw/zinc/53/65/09/1160536509.db2.gz QGXGDCROTDBSCV-OCCSQVGLSA-N 0 3 318.421 2.250 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2c(C)onc2CC)C1 ZINC001377730101 1160797465 /nfs/dbraw/zinc/79/74/65/1160797465.db2.gz GXRHGZKVXABKJD-UHFFFAOYSA-N 0 3 311.813 2.396 20 30 DEEDHN CC(C)c1cccc(CN[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001398544936 1160963580 /nfs/dbraw/zinc/96/35/80/1160963580.db2.gz TUVZOZBRSRVUFA-BPLDGKMQSA-N 0 3 300.406 2.101 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1scnc1COC ZINC001399392967 1161376100 /nfs/dbraw/zinc/37/61/00/1161376100.db2.gz UMFZZLZWNDIHLC-SNVBAGLBSA-N 0 3 317.842 2.140 20 30 DEEDHN Cc1nc(C)c(CN2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)o1 ZINC001402185396 1162279158 /nfs/dbraw/zinc/27/91/58/1162279158.db2.gz GGMFKVWBBHZPFF-GFCCVEGCSA-N 0 3 318.421 2.169 20 30 DEEDHN Cc1ccncc1CN1CC[C@]2(NC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001403805581 1163206455 /nfs/dbraw/zinc/20/64/55/1163206455.db2.gz VTMZTBDJFCRYRG-QGPMSJSTSA-N 0 3 312.417 2.163 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC001405507977 1164125500 /nfs/dbraw/zinc/12/55/00/1164125500.db2.gz RUXKNPXJBFZZFQ-MRVWCRGKSA-N 0 3 316.405 2.229 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)c1cccnc1 ZINC001406446624 1164608496 /nfs/dbraw/zinc/60/84/96/1164608496.db2.gz LEQAPBFMTQTLBV-LBPRGKRZSA-N 0 3 312.348 2.000 20 30 DEEDHN C[C@@H](NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1)c1ccccc1F ZINC001406472602 1164626969 /nfs/dbraw/zinc/62/69/69/1164626969.db2.gz QWEOEXQLDYEATJ-NWDGAFQWSA-N 0 3 314.364 2.495 20 30 DEEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)c1ccsn1 ZINC001406614561 1164729780 /nfs/dbraw/zinc/72/97/80/1164729780.db2.gz GRSNAOFDUYGUHQ-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN Cc1noc(C)c1CN1CCC(C)(CNC(=O)[C@H](C)C#N)CC1 ZINC001407265582 1165074413 /nfs/dbraw/zinc/07/44/13/1165074413.db2.gz SJMNZLMLXBQVFJ-GFCCVEGCSA-N 0 3 318.421 2.169 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](NCc1cc(F)cc(F)c1)C1CC1 ZINC001417968489 1167335253 /nfs/dbraw/zinc/33/52/53/1167335253.db2.gz IAURKYLMLDJKJH-MEBBXXQBSA-N 0 3 307.344 2.109 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001418078275 1167399015 /nfs/dbraw/zinc/39/90/15/1167399015.db2.gz SMLWJKZIVRPPBO-WKILWMFISA-N 0 3 321.852 2.108 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418127691 1167428471 /nfs/dbraw/zinc/42/84/71/1167428471.db2.gz RACIBWMQVCLVAO-ZFWWWQNUSA-N 0 3 303.381 2.314 20 30 DEEDHN C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)NCc1ccccc1C#N ZINC001418391599 1167621051 /nfs/dbraw/zinc/62/10/51/1167621051.db2.gz GCICSCQEPUOMFJ-CYBMUJFWSA-N 0 3 321.384 2.056 20 30 DEEDHN CCN(CCNC(=O)[C@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC001418536838 1167789359 /nfs/dbraw/zinc/78/93/59/1167789359.db2.gz GJOYQAVELLJFGB-QGZVFWFLSA-N 0 3 315.417 2.065 20 30 DEEDHN CCN(CCNC(=O)[C@@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC001418536833 1167791038 /nfs/dbraw/zinc/79/10/38/1167791038.db2.gz GJOYQAVELLJFGB-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C=C(Cl)CN1CCC(CCNC(=O)Cn2ccnc2C)CC1 ZINC001419415692 1168457508 /nfs/dbraw/zinc/45/75/08/1168457508.db2.gz MQZPEMHXKSDGMJ-UHFFFAOYSA-N 0 3 324.856 2.162 20 30 DEEDHN C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001419623320 1168699682 /nfs/dbraw/zinc/69/96/82/1168699682.db2.gz XUHVGEPMRPZQLI-IUODEOHRSA-N 0 3 324.856 2.312 20 30 DEEDHN Cc1csc(CNC2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001419673211 1168789403 /nfs/dbraw/zinc/78/94/03/1168789403.db2.gz QNDXCILQJZBTCV-PKSQDBQZSA-N 0 3 306.435 2.128 20 30 DEEDHN Cc1ncc(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)s1 ZINC001419706215 1168811184 /nfs/dbraw/zinc/81/11/84/1168811184.db2.gz JYOPZEGIQQPEHL-VIFPVBQESA-N 0 3 320.443 2.293 20 30 DEEDHN N#Cc1cc(CNC2(CNC(=O)c3ccccn3)CC2)ccc1F ZINC001420911624 1171340268 /nfs/dbraw/zinc/34/02/68/1171340268.db2.gz VRAAEGGFKMDHBM-UHFFFAOYSA-N 0 3 324.359 2.145 20 30 DEEDHN COc1ccc(C)cc1CNC[C@@H](C)N(C)C(=O)[C@H](C)C#N ZINC001421872190 1172074404 /nfs/dbraw/zinc/07/44/04/1172074404.db2.gz LPBVEODAYXCPLJ-ZIAGYGMSSA-N 0 3 303.406 2.100 20 30 DEEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001422157260 1172357016 /nfs/dbraw/zinc/35/70/16/1172357016.db2.gz LFCFYYKBXNKORI-JSGCOSHPSA-N 0 3 307.825 2.348 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001422911579 1172922951 /nfs/dbraw/zinc/92/29/51/1172922951.db2.gz ULYHCLDRWWCYQB-KYZUINATSA-N 0 3 319.739 2.463 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](NC(=O)CCCF)C2CC2)s1 ZINC001423013983 1173016427 /nfs/dbraw/zinc/01/64/27/1173016427.db2.gz VLOFIIBWFLQEPI-CQSZACIVSA-N 0 3 309.410 2.354 20 30 DEEDHN C[C@@H](C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1)C1CC1 ZINC001423190139 1173156272 /nfs/dbraw/zinc/15/62/72/1173156272.db2.gz AHDFTETVUNSMFY-GFCCVEGCSA-N 0 3 315.392 2.482 20 30 DEEDHN C=C(Cl)CN1CCC(C)(CNC(=O)Cn2ccnc2C)CC1 ZINC001423667894 1173477900 /nfs/dbraw/zinc/47/79/00/1173477900.db2.gz CROUSLUSWIUGBJ-UHFFFAOYSA-N 0 3 324.856 2.162 20 30 DEEDHN C[C@H](C#N)C(=O)N(C)C1CCC(NCc2nccs2)CC1 ZINC001424854528 1173991191 /nfs/dbraw/zinc/99/11/91/1173991191.db2.gz VVIKLKDARKULIQ-PNESKVBLSA-N 0 3 306.435 2.162 20 30 DEEDHN CCc1onc(C)c1CNC[C@@H](C1CC1)N(C)C(=O)[C@H](C)C#N ZINC001425477688 1174333828 /nfs/dbraw/zinc/33/38/28/1174333828.db2.gz IWYUIANCIQUBRO-ABAIWWIYSA-N 0 3 318.421 2.032 20 30 DEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCCc2c1cnn2C ZINC001434462463 1178599658 /nfs/dbraw/zinc/59/96/58/1178599658.db2.gz CTDAEOFNXXYICG-FUHWJXTLSA-N 0 3 310.401 2.335 20 30 DEEDHN COc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)c(OC)c1 ZINC001434494873 1178668321 /nfs/dbraw/zinc/66/83/21/1178668321.db2.gz BGQPITYBTKDXTG-CYBMUJFWSA-N 0 3 319.405 2.117 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)C2(C)CC2)C1 ZINC001436348081 1179055882 /nfs/dbraw/zinc/05/58/82/1179055882.db2.gz MLTUFTRNHPREJS-PHIMTYICSA-N 0 3 301.228 2.180 20 30 DEEDHN C=C(Br)CN[C@H](C)CCNC(=O)[C@H](C)SC ZINC001437361913 1179760287 /nfs/dbraw/zinc/76/02/87/1179760287.db2.gz DCHCHWLXZXGHEH-ZJUUUORDSA-N 0 3 309.273 2.131 20 30 DEEDHN Cc1ccc(CN(C)CCNC(=O)c2ccc(C#N)[nH]2)cc1C ZINC001437453534 1179809307 /nfs/dbraw/zinc/80/93/07/1179809307.db2.gz GLODFCVHUJKEQX-UHFFFAOYSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)[C@H]2CCCCN2C)CCCC1 ZINC001438596071 1180646038 /nfs/dbraw/zinc/64/60/38/1180646038.db2.gz JMNNSURISMUWJM-CQSZACIVSA-N 0 3 313.873 2.242 20 30 DEEDHN CO[C@@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001438625824 1180690448 /nfs/dbraw/zinc/69/04/48/1180690448.db2.gz ARAJQXXQXYJAOS-STQMWFEESA-N 0 3 321.396 2.059 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001440371864 1181468503 /nfs/dbraw/zinc/46/85/03/1181468503.db2.gz RXBBYFNWEBMFKB-UMVBOHGHSA-N 0 3 307.825 2.422 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)COc2ccsc2)C1 ZINC001440379827 1181471131 /nfs/dbraw/zinc/47/11/31/1181471131.db2.gz UQJRCWMWCYOWRV-HAQNSBGRSA-N 0 3 314.838 2.364 20 30 DEEDHN COc1ccc(CN(C)CCCN(C)C(=O)[C@H](C)C#N)cc1F ZINC001440430848 1181510140 /nfs/dbraw/zinc/51/01/40/1181510140.db2.gz UCQDSGKZRJISDN-CYBMUJFWSA-N 0 3 321.396 2.274 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3nonc3c2)C1 ZINC001440756331 1181677292 /nfs/dbraw/zinc/67/72/92/1181677292.db2.gz LBFLTDZRCOYHPJ-UHFFFAOYSA-N 0 3 320.780 2.073 20 30 DEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)c1ccc[nH]1 ZINC001440791916 1181694728 /nfs/dbraw/zinc/69/47/28/1181694728.db2.gz SKJZDUCLAQPQTM-NEPJUHHUSA-N 0 3 314.364 2.322 20 30 DEEDHN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001440799828 1181699026 /nfs/dbraw/zinc/69/90/26/1181699026.db2.gz ZVFKISOQEIYFNZ-OLZOCXBDSA-N 0 3 320.824 2.492 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001441034016 1181831704 /nfs/dbraw/zinc/83/17/04/1181831704.db2.gz KBCUHHBLNZLRJY-KBPBESRZSA-N 0 3 301.862 2.050 20 30 DEEDHN CC[C@@H](F)C(=O)NC[C@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC001441234512 1181907486 /nfs/dbraw/zinc/90/74/86/1181907486.db2.gz VPUSVHBTMMWHHD-ZBFHGGJFSA-N 0 3 321.371 2.430 20 30 DEEDHN CC[C@H](F)C(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001441501653 1182027113 /nfs/dbraw/zinc/02/71/13/1182027113.db2.gz NFHPPDYMICIVCK-MJBXVCDLSA-N 0 3 307.344 2.182 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001441547570 1182052985 /nfs/dbraw/zinc/05/29/85/1182052985.db2.gz IQPFXFVWLHISGT-MELADBBJSA-N 0 3 302.846 2.427 20 30 DEEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NCc1ccc(F)c(F)c1 ZINC001441804629 1182171024 /nfs/dbraw/zinc/17/10/24/1182171024.db2.gz XOQMTRGCBAUHIK-JTQLQIEISA-N 0 3 318.327 2.073 20 30 DEEDHN C[C@@H](NCCN(C)C(=O)c1ccc(C#N)[nH]1)c1ccccc1F ZINC001443100648 1182847477 /nfs/dbraw/zinc/84/74/77/1182847477.db2.gz LCGAIBLNSUFBPC-GFCCVEGCSA-N 0 3 314.364 2.448 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ncccc2OC)CCCC1 ZINC001444533286 1183437020 /nfs/dbraw/zinc/43/70/20/1183437020.db2.gz KCOHAHNAHMNVFM-UHFFFAOYSA-N 0 3 323.824 2.475 20 30 DEEDHN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CCn1ccnc1 ZINC001444818640 1183569336 /nfs/dbraw/zinc/56/93/36/1183569336.db2.gz CCTZGLSDKUOUSI-HIFRSBDPSA-N 0 3 324.856 2.242 20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)c1ccccn1 ZINC001445325798 1183836085 /nfs/dbraw/zinc/83/60/85/1183836085.db2.gz WFSKJEKYCITHNA-GFCCVEGCSA-N 0 3 312.348 2.000 20 30 DEEDHN CCO[C@@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)C1CC1 ZINC001445368639 1183850835 /nfs/dbraw/zinc/85/08/35/1183850835.db2.gz SONXYAIJCUVQAF-IAQYHMDHSA-N 0 3 321.446 2.029 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1(CCF)CC1 ZINC001445579254 1183915360 /nfs/dbraw/zinc/91/53/60/1183915360.db2.gz XTJKYRRABDBRCF-LBPRGKRZSA-N 0 3 321.371 2.431 20 30 DEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)c1ccsn1 ZINC001445756165 1184033263 /nfs/dbraw/zinc/03/32/63/1184033263.db2.gz SZTUUKVVGRRQNO-GFCCVEGCSA-N 0 3 314.414 2.265 20 30 DEEDHN COc1cc(CN(C)[C@@H](C)CNC(=O)[C@H](C)C#N)ccc1C ZINC001447992722 1185006400 /nfs/dbraw/zinc/00/64/00/1185006400.db2.gz IRGMHUACVAADCQ-KGLIPLIRSA-N 0 3 303.406 2.100 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@](C)(O)c1ccccc1 ZINC001448881976 1185445409 /nfs/dbraw/zinc/44/54/09/1185445409.db2.gz HZIDPBWICIJFBT-SFHVURJKSA-N 0 3 304.434 2.251 20 30 DEEDHN C[C@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H](C)CN1C ZINC001164643584 719229812 /nfs/dbraw/zinc/22/98/12/719229812.db2.gz ZJIYCOAJVUPTEO-GJZGRUSLSA-N 0 3 314.433 2.182 20 30 DEEDHN C=CCN1CCN(c2ccc3cc(C(=O)OCC)[nH]c3n2)CC1 ZINC001165032144 721868639 /nfs/dbraw/zinc/86/86/39/721868639.db2.gz JMZKBLOQPIAVCQ-UHFFFAOYSA-N 0 3 314.389 2.048 20 30 DEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)Oc3ccccn3)CCC[C@@H]12 ZINC001332110649 1149820457 /nfs/dbraw/zinc/82/04/57/1149820457.db2.gz JTNKCLMRASUHTB-HDMKZQKVSA-N 0 3 315.417 2.148 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)Cc3cc(F)ccc3F)C2)C1 ZINC001072924450 790305609 /nfs/dbraw/zinc/30/56/09/790305609.db2.gz CWHYHAZUCNMQIO-UHFFFAOYSA-N 0 3 306.356 2.228 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001332678250 1149878895 /nfs/dbraw/zinc/87/88/95/1149878895.db2.gz NRLDAMCTEGZUQS-HZPDHXFCSA-N 0 3 314.445 2.232 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cc(CC)ccn2)C1 ZINC001408342772 1165602277 /nfs/dbraw/zinc/60/22/77/1165602277.db2.gz IBKWEHLCDYTMJH-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncoc2C)CC(C)(C)C1 ZINC001089329809 782704802 /nfs/dbraw/zinc/70/48/02/782704802.db2.gz DCFZLKVUBFLCIL-CQSZACIVSA-N 0 3 303.406 2.227 20 30 DEEDHN C=CCOCCN1CC=C(CNC(=O)[C@H](C)C(F)(F)F)CC1 ZINC001333376724 1150042374 /nfs/dbraw/zinc/04/23/74/1150042374.db2.gz BOENSUWUQXLNIL-LBPRGKRZSA-N 0 3 320.355 2.136 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)NC(C)=O ZINC001099245081 782869269 /nfs/dbraw/zinc/86/92/69/782869269.db2.gz GWCTWOBSEONMKB-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)C1CCCCC1)C2 ZINC001111527573 782910783 /nfs/dbraw/zinc/91/07/83/782910783.db2.gz HBSCYOBMLXUCSR-ZJPYXAASSA-N 0 3 318.461 2.327 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccncc2F)CC(C)(C)C1 ZINC001089348566 782916165 /nfs/dbraw/zinc/91/61/65/782916165.db2.gz 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C#CCN1CC[C@H](NC(=O)c2coc(CCC)n2)CC(C)(C)C1 ZINC001089541815 783193544 /nfs/dbraw/zinc/19/35/44/783193544.db2.gz OCUUPUQKZMJRBS-AWEZNQCLSA-N 0 3 317.433 2.481 20 30 DEEDHN C=CCNCc1ccc(CNC(=O)c2nn(C)cc2C)c(F)c1 ZINC001333471688 1150054622 /nfs/dbraw/zinc/05/46/22/1150054622.db2.gz QJNAZKMIFKTJPH-UHFFFAOYSA-N 0 3 316.380 2.073 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(F)c2F)C[C@H]1C ZINC000947753176 783223243 /nfs/dbraw/zinc/22/32/43/783223243.db2.gz BVIRVMVEZBDMRB-TZMCWYRMSA-N 0 3 306.356 2.110 20 30 DEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cccc(OC)n2)C1 ZINC001086842717 790329891 /nfs/dbraw/zinc/32/98/91/790329891.db2.gz RFDZIDXCYYQEQV-QWHCGFSZSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC001090541753 790342758 /nfs/dbraw/zinc/34/27/58/790342758.db2.gz XWPHMLMOEIOTGM-CVEARBPZSA-N 0 3 322.836 2.010 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CO[C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001073026936 790400055 /nfs/dbraw/zinc/40/00/55/790400055.db2.gz 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C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C)o3)C(C)(C)[C@@H]21 ZINC001087271196 777676628 /nfs/dbraw/zinc/67/66/28/777676628.db2.gz NPRNYBHTDVGSIG-FVQBIDKESA-N 0 3 300.402 2.440 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3cccn3C)C(C)(C)[C@H]21 ZINC001087273094 777685417 /nfs/dbraw/zinc/68/54/17/777685417.db2.gz SCGDRCTXRRUAIW-PVAVHDDUSA-N 0 3 313.445 2.267 20 30 DEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3=COCCC3)C(C)(C)[C@H]21 ZINC001087275987 777693343 /nfs/dbraw/zinc/69/33/43/777693343.db2.gz PRTSGPAUSXQBNZ-ZACQAIPSSA-N 0 3 316.445 2.309 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3oc(C)nc3C)C(C)(C)[C@@H]21 ZINC001087279021 777703437 /nfs/dbraw/zinc/70/34/37/777703437.db2.gz QDJFKTOSGDTSOX-FVQBIDKESA-N 0 3 315.417 2.143 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C3CC4(CC4)C3)C(C)(C)[C@H]21 ZINC001087302993 777755584 /nfs/dbraw/zinc/75/55/84/777755584.db2.gz DTDZHNPWXLPZIO-PMPSAXMXSA-N 0 3 300.446 2.415 20 30 DEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC4(CC4)C3)C(C)(C)[C@H]21 ZINC001087302991 777755638 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C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)CCN2C ZINC001139869728 778798952 /nfs/dbraw/zinc/79/89/52/778798952.db2.gz RAJZSGPHESLTAX-UHFFFAOYSA-N 0 3 301.434 2.259 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)COC3CCC(C)CC3)C2)C1 ZINC001073481799 790683308 /nfs/dbraw/zinc/68/33/08/790683308.db2.gz GADUJRYZQYKOSJ-UHFFFAOYSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CC(C)(C)C(=O)N1CC[C@H](n2cc(CNCCCC)nn2)C1 ZINC001098698148 779204711 /nfs/dbraw/zinc/20/47/11/779204711.db2.gz QXCIBKFNJZIPDL-HNNXBMFYSA-N 0 3 319.453 2.153 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2[nH]ncc2C(F)(F)F)[C@H]1CC ZINC001087598134 779371084 /nfs/dbraw/zinc/37/10/84/779371084.db2.gz UUHALLHGDYQEHT-WDEREUQCSA-N 0 3 316.327 2.197 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(F)c(F)c2)[C@H]1CC ZINC001087706325 779417383 /nfs/dbraw/zinc/41/73/83/779417383.db2.gz MKEODJXWQYAJBL-DLBZAZTESA-N 0 3 320.383 2.500 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)[C@H]1CC ZINC001087812265 779462061 /nfs/dbraw/zinc/46/20/61/779462061.db2.gz CXXBLMJBTORKLO-GOEBONIOSA-N 0 3 315.417 2.175 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@H]1CC ZINC001087814422 779462820 /nfs/dbraw/zinc/46/28/20/779462820.db2.gz LIUOSMWRMUTUNC-FUHWJXTLSA-N 0 3 324.428 2.098 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2OC)[C@H]1CC ZINC001087821118 779468590 /nfs/dbraw/zinc/46/85/90/779468590.db2.gz QHFDIKVFZJQCDV-JKSUJKDBSA-N 0 3 302.418 2.393 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)Cc2n[nH]c3ccccc32)[C@H]1CC ZINC001087839255 779479382 /nfs/dbraw/zinc/47/93/82/779479382.db2.gz RMKTXNYNRGTCEC-FUHWJXTLSA-N 0 3 324.428 2.098 20 30 DEEDHN N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C/C=C/Cl)C[C@H]3C2)c1 ZINC001087924629 779547798 /nfs/dbraw/zinc/54/77/98/779547798.db2.gz BQTREBZIFBOMKE-JLAUGEKOSA-N 0 3 318.808 2.033 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCc3ccsc3)C[C@@H]2C1 ZINC001087994306 779621237 /nfs/dbraw/zinc/62/12/37/779621237.db2.gz AZGAJYSGTVMXEE-CVEARBPZSA-N 0 3 302.443 2.094 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccn4ccccc34)C[C@@H]2C1 ZINC001088037245 779650245 /nfs/dbraw/zinc/65/02/45/779650245.db2.gz BHZCORZPEAVWFF-SJORKVTESA-N 0 3 321.424 2.357 20 30 DEEDHN C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001088069920 779671610 /nfs/dbraw/zinc/67/16/10/779671610.db2.gz RPOKYUWMCOROKW-VLQPXKRTSA-N 0 3 323.440 2.495 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc4ccccc4c(=O)o3)[C@@H]2C1 ZINC001075833856 779672514 /nfs/dbraw/zinc/67/25/14/779672514.db2.gz CIOOBZJVGSGQFJ-GOEBONIOSA-N 0 3 324.380 2.125 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCCC3(F)F)C[C@@H]2C1 ZINC001088081674 779684483 /nfs/dbraw/zinc/68/44/83/779684483.db2.gz ZEIXZCNVYYIMFY-QLFBSQMISA-N 0 3 310.388 2.225 20 30 DEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CCC3)C[C@@H]2C1 ZINC001088106680 779705433 /nfs/dbraw/zinc/70/54/33/779705433.db2.gz MBPHINMDZUDVHN-CVEARBPZSA-N 0 3 311.429 2.309 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001088187955 779764425 /nfs/dbraw/zinc/76/44/25/779764425.db2.gz AAKQHPUHVOXXTK-SJORKVTESA-N 0 3 314.404 2.172 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCc3cccs3)C[C@@H]2C1 ZINC001088196273 779767337 /nfs/dbraw/zinc/76/73/37/779767337.db2.gz XRGRMPKILGCBJU-CVEARBPZSA-N 0 3 316.470 2.484 20 30 DEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCc3ccc(C)o3)C[C@@H]2C1 ZINC001088210462 779773881 /nfs/dbraw/zinc/77/38/81/779773881.db2.gz MCUMJTCCWDAQTE-SJORKVTESA-N 0 3 314.429 2.324 20 30 DEEDHN CC#CCN1CC[C@H](OCC2CCN(C(=O)C3CCC3)CC2)C1 ZINC001088228853 779784892 /nfs/dbraw/zinc/78/48/92/779784892.db2.gz BVEKRNIKZOCRLM-SFHVURJKSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C(F)F)nc3)[C@@H]2C1 ZINC001075867979 779941549 /nfs/dbraw/zinc/94/15/49/779941549.db2.gz RAXPWMJRRZZHQF-DZGCQCFKSA-N 0 3 319.355 2.189 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCC=C(Cl)Cl ZINC001168101141 780042088 /nfs/dbraw/zinc/04/20/88/780042088.db2.gz OBBWNONGBFAZQS-AAEUAGOBSA-N 0 3 321.248 2.383 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001168102697 780043079 /nfs/dbraw/zinc/04/30/79/780043079.db2.gz HKHPNEYKPJKVHS-UHFFFAOYSA-N 0 3 324.856 2.198 20 30 DEEDHN C[C@@H]1CN(C)CC1N=Nc1cc(CO)ccc1Br ZINC000841653637 780415228 /nfs/dbraw/zinc/41/52/28/780415228.db2.gz JACINMJSBQFKPQ-SECBINFHSA-N 0 3 312.211 2.291 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C3CCC3)c2)[C@H]1C ZINC001088565880 780486665 /nfs/dbraw/zinc/48/66/65/780486665.db2.gz KUCRYMQDDNXIML-CJNGLKHVSA-N 0 3 302.422 2.377 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cnn4c3ccc(C)c4C)[C@@H]2C1 ZINC001075904532 780528828 /nfs/dbraw/zinc/52/88/28/780528828.db2.gz YREYEFJTXMVMBM-MAUKXSAKSA-N 0 3 324.428 2.283 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1OC ZINC001211994592 780573909 /nfs/dbraw/zinc/57/39/09/780573909.db2.gz DURAEWFPOCTDLX-LZBKLORASA-N 0 3 324.465 2.139 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H]1C ZINC001088653497 780690359 /nfs/dbraw/zinc/69/03/59/780690359.db2.gz SDRBPRPTAJGUPC-WBMJQRKESA-N 0 3 306.356 2.489 20 30 DEEDHN CC(C)N(C)CC(=O)N1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001142587867 781022977 /nfs/dbraw/zinc/02/29/77/781022977.db2.gz BPXJAASZRGKCJV-KRWDZBQOSA-N 0 3 315.417 2.268 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)[C@@H]2C1 ZINC001076185103 781160661 /nfs/dbraw/zinc/16/06/61/781160661.db2.gz JGNNPXMLYRSPQY-YESZJQIVSA-N 0 3 311.429 2.220 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3csc(C)n3)[C@@H]2C1 ZINC001076320957 781215549 /nfs/dbraw/zinc/21/55/49/781215549.db2.gz KCMNWLOQCVNETO-DZGCQCFKSA-N 0 3 305.447 2.103 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](OC)C3CCCC3)[C@@H]2C1 ZINC001076505564 781290507 /nfs/dbraw/zinc/29/05/07/781290507.db2.gz BKZNCRUDGGGLLJ-BBWFWOEESA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCN1C[C@@H]2CCN(C(=O)COc3ccc(CC)cc3)[C@@H]2C1 ZINC001076530316 781299207 /nfs/dbraw/zinc/29/92/07/781299207.db2.gz ISLSOGDPHMFWAM-FUHWJXTLSA-N 0 3 314.429 2.347 20 30 DEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3cnc(CC)s3)[C@@H]2C1 ZINC001076627011 781330870 /nfs/dbraw/zinc/33/08/70/781330870.db2.gz JBPMKCHFVHZNPH-QWHCGFSZSA-N 0 3 305.447 2.428 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076628757 781331126 /nfs/dbraw/zinc/33/11/26/781331126.db2.gz BMDAUBKLUWAECK-IXDOHACOSA-N 0 3 316.449 2.170 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc(CC)n2)C1 ZINC001091072178 790891260 /nfs/dbraw/zinc/89/12/60/790891260.db2.gz KNWGQLMGFXSHFZ-UHFFFAOYSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cncc(Cl)c2)C1 ZINC001073816199 790898196 /nfs/dbraw/zinc/89/81/96/790898196.db2.gz XAROCLSTSINTPM-HNNXBMFYSA-N 0 3 323.824 2.132 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001073841272 790909150 /nfs/dbraw/zinc/90/91/50/790909150.db2.gz GNRVQAYUEJWRMB-HOTGVXAUSA-N 0 3 306.450 2.350 20 30 DEEDHN CN(C)/C=N/c1ccc(NCc2ccn(C)c(=O)c2)cc1C#N ZINC001168402919 781854875 /nfs/dbraw/zinc/85/48/75/781854875.db2.gz ZUCCRXIKYRNTSX-UDWIEESQSA-N 0 3 309.373 2.090 20 30 DEEDHN C=CCOCC(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001105942477 781884161 /nfs/dbraw/zinc/88/41/61/781884161.db2.gz IEJJQTOAWADLKF-GRXMUEBYSA-N 0 3 321.248 2.192 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2F)C[C@H]1C ZINC000947845340 783244792 /nfs/dbraw/zinc/24/47/92/783244792.db2.gz IQRPSVUYJURIQM-ZIAGYGMSSA-N 0 3 318.392 2.440 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3nccnc32)C[C@H]1C ZINC000947858014 783248898 /nfs/dbraw/zinc/24/88/98/783248898.db2.gz WANRJXSHBYIPBN-ZIAGYGMSSA-N 0 3 310.401 2.399 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2sc(COC)nc2C)C[C@@H]1C ZINC000947974854 783281650 /nfs/dbraw/zinc/28/16/50/783281650.db2.gz HLVWYNFGCAPWTF-WCQYABFASA-N 0 3 323.462 2.367 20 30 DEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1cnnn1CC ZINC001089637443 783309862 /nfs/dbraw/zinc/30/98/62/783309862.db2.gz MHBAVMTVKRECKJ-AWEZNQCLSA-N 0 3 319.453 2.095 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000948242488 783389609 /nfs/dbraw/zinc/38/96/09/783389609.db2.gz XFPXYAXSYGUVBX-GJZGRUSLSA-N 0 3 313.873 2.146 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)Cc2ccn[nH]2)CC1 ZINC000948261953 783399678 /nfs/dbraw/zinc/39/96/78/783399678.db2.gz OYJWORTUJQRUHL-CQSZACIVSA-N 0 3 310.829 2.018 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)Cc2ccc(C)o2)CC1 ZINC000948305970 783418832 /nfs/dbraw/zinc/41/88/32/783418832.db2.gz AXPLUJGPMOEQQU-MRXNPFEDSA-N 0 3 302.418 2.467 20 30 DEEDHN C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089779677 783428204 /nfs/dbraw/zinc/42/82/04/783428204.db2.gz XZEATGKGQKLCQF-RANZSIQMSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC001089779677 783428206 /nfs/dbraw/zinc/42/82/06/783428206.db2.gz XZEATGKGQKLCQF-RANZSIQMSA-N 0 3 324.424 2.198 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccnn2C(C)C)CC1 ZINC000948408144 783456215 /nfs/dbraw/zinc/45/62/15/783456215.db2.gz LRNMIWJNGVLHCD-HNNXBMFYSA-N 0 3 302.422 2.024 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000948629975 783538189 /nfs/dbraw/zinc/53/81/89/783538189.db2.gz YXNRIFPLSBKFEE-XWTMOSNGSA-N 0 3 318.461 2.138 20 30 DEEDHN CCCCO[C@@H](C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001124459855 783543179 /nfs/dbraw/zinc/54/31/79/783543179.db2.gz RPYFVEJDTWAZIV-ZDUSSCGKSA-N 0 3 321.396 2.108 20 30 DEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)Cc2cncc(C)c2)CC1 ZINC000948643268 783546116 /nfs/dbraw/zinc/54/61/16/783546116.db2.gz TUXDWIJSDAYENI-GOSISDBHSA-N 0 3 313.445 2.269 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)CC1 ZINC001066193469 783563790 /nfs/dbraw/zinc/56/37/90/783563790.db2.gz FHFUJMHAULTNCY-MRXNPFEDSA-N 0 3 323.481 2.182 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC000966200453 783597657 /nfs/dbraw/zinc/59/76/57/783597657.db2.gz UBGORRAKNXXNMC-KBPBESRZSA-N 0 3 316.449 2.171 20 30 DEEDHN CC(C)CC(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000966413000 783655938 /nfs/dbraw/zinc/65/59/38/783655938.db2.gz JFYCKKARFRLTEM-OAHLLOKOSA-N 0 3 303.381 2.434 20 30 DEEDHN N#CC1(c2ccc(CN3CCC(N4CN=NC4=O)CC3)cc2)CC1 ZINC000826679590 783655995 /nfs/dbraw/zinc/65/59/95/783655995.db2.gz LPUFHXXKXXNNDR-UHFFFAOYSA-N 0 3 323.400 2.376 20 30 DEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2cnccc2C)C1 ZINC000966841408 783776883 /nfs/dbraw/zinc/77/68/83/783776883.db2.gz HNMFXNBZQWIWLH-NVXWUHKLSA-N 0 3 301.434 2.335 20 30 DEEDHN C#Cc1ccc(C(=O)NCC2CC(NCc3cnoc3C)C2)cc1 ZINC001091176754 790976986 /nfs/dbraw/zinc/97/69/86/790976986.db2.gz LEMXTDCWTMYXSU-UHFFFAOYSA-N 0 3 323.396 2.263 20 30 DEEDHN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cncn3c2C)C1 ZINC000967092176 783881189 /nfs/dbraw/zinc/88/11/89/783881189.db2.gz WMENSYSLDFZOSA-DYVFJYSZSA-N 0 3 312.417 2.269 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085625425 783900942 /nfs/dbraw/zinc/90/09/42/783900942.db2.gz PBJQPPLLKGPPTL-HNNXBMFYSA-N 0 3 316.449 2.410 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1CC ZINC001085658825 783933583 /nfs/dbraw/zinc/93/35/83/783933583.db2.gz BWERUAOBCLGSCR-CQSZACIVSA-N 0 3 304.438 2.095 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc2n(n1)CCCC2 ZINC001085660714 783941744 /nfs/dbraw/zinc/94/17/44/783941744.db2.gz FVRLXKRXGSRHQY-INIZCTEOSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC=C(C)C)C[C@@H]2O)CCC1 ZINC001099989979 783956187 /nfs/dbraw/zinc/95/61/87/783956187.db2.gz WLAJIASCMBBPFP-HOTGVXAUSA-N 0 3 306.450 2.250 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085720248 784006721 /nfs/dbraw/zinc/00/67/21/784006721.db2.gz PMFBEFRWBAVGKK-MRXNPFEDSA-N 0 3 312.417 2.447 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnc2n1CCCC2 ZINC001085782146 784071408 /nfs/dbraw/zinc/07/14/08/784071408.db2.gz OGOHGTJNQDXBPX-HNNXBMFYSA-N 0 3 316.449 2.332 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(CC)ncnc1CC ZINC001085823679 784113253 /nfs/dbraw/zinc/11/32/53/784113253.db2.gz OUMUYLLHNUVKQH-CQSZACIVSA-N 0 3 316.449 2.324 20 30 DEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085873055 784161045 /nfs/dbraw/zinc/16/10/45/784161045.db2.gz OLWWOWPXTRALCM-OAHLLOKOSA-N 0 3 302.422 2.206 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2ccccc2O1 ZINC001085878262 784170141 /nfs/dbraw/zinc/17/01/41/784170141.db2.gz XMJFKZKUDOSJNZ-SJLPKXTDSA-N 0 3 314.429 2.489 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000968034930 784209915 /nfs/dbraw/zinc/20/99/15/784209915.db2.gz JPPFFZQHPLUKLG-SUMWQHHRSA-N 0 3 320.383 2.357 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001066341595 784222034 /nfs/dbraw/zinc/22/20/34/784222034.db2.gz WJEIHDOZZVWAQO-HOTGVXAUSA-N 0 3 323.481 2.180 20 30 DEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnccc1N(C)C ZINC001085930304 784225962 /nfs/dbraw/zinc/22/59/62/784225962.db2.gz TVFNXEOARVEJAF-HNNXBMFYSA-N 0 3 316.449 2.260 20 30 DEEDHN C#CCOc1ncccc1C(=O)N(C)C[C@@H]1CCN1CCCC ZINC001085932634 784230817 /nfs/dbraw/zinc/23/08/17/784230817.db2.gz DNHFAMDPDXILQT-HNNXBMFYSA-N 0 3 315.417 2.040 20 30 DEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)n(C)nc1Cl ZINC001085948096 784244326 /nfs/dbraw/zinc/24/43/26/784244326.db2.gz AZUDWYDVKVWDTN-GFCCVEGCSA-N 0 3 310.829 2.104 20 30 DEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(OC)ccc1OC ZINC001085964052 784265359 /nfs/dbraw/zinc/26/53/59/784265359.db2.gz XHTGDNMCEKHJOI-AWEZNQCLSA-N 0 3 318.417 2.426 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968325676 784289113 /nfs/dbraw/zinc/28/91/13/784289113.db2.gz AWPFRSRBRYYRRB-ZBFHGGJFSA-N 0 3 301.434 2.051 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001074017754 791013557 /nfs/dbraw/zinc/01/35/57/791013557.db2.gz XHIQVKPSSQWQSU-JKSUJKDBSA-N 0 3 323.481 2.036 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)c2cncs2)c1 ZINC001155207797 784359049 /nfs/dbraw/zinc/35/90/49/784359049.db2.gz CLRJNKGSGDILSN-UHFFFAOYSA-N 0 3 318.377 2.064 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458875 784397360 /nfs/dbraw/zinc/39/73/60/784397360.db2.gz FWJDHVGSGKQJOA-CZUORRHYSA-N 0 3 310.401 2.026 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccncc2CC)C1 ZINC001086131423 784428179 /nfs/dbraw/zinc/42/81/79/784428179.db2.gz VPZKGHHUSNQLFN-XBXGTLAGSA-N 0 3 307.825 2.495 20 30 DEEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC000968503968 784430820 /nfs/dbraw/zinc/43/08/20/784430820.db2.gz CXJQENHCXCQAHI-CJNGLKHVSA-N 0 3 317.433 2.090 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1CN(CCC)CC[C@@H]1C ZINC000968520560 784442403 /nfs/dbraw/zinc/44/24/03/784442403.db2.gz KOJMQKAASGKJQX-GJZGRUSLSA-N 0 3 317.433 2.497 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC000968529201 784447596 /nfs/dbraw/zinc/44/75/96/784447596.db2.gz MZTMQVDIASKUJB-UKRRQHHQSA-N 0 3 316.449 2.171 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001086163958 784456327 /nfs/dbraw/zinc/45/63/27/784456327.db2.gz PDTPNJMDBSLZQR-TXEJJXNPSA-N 0 3 318.808 2.413 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC000968633175 784512641 /nfs/dbraw/zinc/51/26/41/784512641.db2.gz VXJBBSAAEWWRET-DYVFJYSZSA-N 0 3 301.434 2.105 20 30 DEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cncnc2C(C)C)C1 ZINC000968660749 784527329 /nfs/dbraw/zinc/52/73/29/784527329.db2.gz NOOGHQHCMGZZGW-ZBFHGGJFSA-N 0 3 314.433 2.064 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001066462517 784528288 /nfs/dbraw/zinc/52/82/88/784528288.db2.gz HPGWGBCHPYJDBH-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2N(C)C)C1 ZINC000968703691 784549111 /nfs/dbraw/zinc/54/91/11/784549111.db2.gz YRWCGMDGZBFNLK-RDJZCZTQSA-N 0 3 313.445 2.216 20 30 DEEDHN C=CCCC(=O)NCCCNCc1nc2ccccc2n1C ZINC001155579894 784556676 /nfs/dbraw/zinc/55/66/76/784556676.db2.gz OIVRFDRSBYHLMZ-UHFFFAOYSA-N 0 3 300.406 2.135 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001086342204 784604208 /nfs/dbraw/zinc/60/42/08/784604208.db2.gz CCSMQIOMFZMUQU-IJLUTSLNSA-N 0 3 315.255 2.426 20 30 DEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC000968858114 784623217 /nfs/dbraw/zinc/62/32/17/784623217.db2.gz BDMLVDABLSVAQW-HOTGVXAUSA-N 0 3 316.449 2.376 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccnn2CC(C)C)C1 ZINC001086379076 784634809 /nfs/dbraw/zinc/63/48/09/784634809.db2.gz TZOVDWPNULARBN-HDJSIYSDSA-N 0 3 324.856 2.390 20 30 DEEDHN C#CCN1CCCCC[C@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC000968922836 784652247 /nfs/dbraw/zinc/65/22/47/784652247.db2.gz GTCITRVUCKHSHN-HNNXBMFYSA-N 0 3 324.428 2.181 20 30 DEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ncc(OC)cn1 ZINC000968945353 784664434 /nfs/dbraw/zinc/66/44/34/784664434.db2.gz YSMSDWFOWMNWMU-CQSZACIVSA-N 0 3 318.421 2.036 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC000968949165 784665735 /nfs/dbraw/zinc/66/57/35/784665735.db2.gz IPMDYZPWVSMVDZ-MRXNPFEDSA-N 0 3 324.428 2.332 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969037987 784700077 /nfs/dbraw/zinc/70/00/77/784700077.db2.gz QVOGHBVHDTXNBF-BZUAXINKSA-N 0 3 316.449 2.070 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ocnc2C2CC2)C1 ZINC001091229629 791047833 /nfs/dbraw/zinc/04/78/33/791047833.db2.gz HDLVRLZBOGFZNW-UHFFFAOYSA-N 0 3 309.797 2.403 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC000969108961 784732232 /nfs/dbraw/zinc/73/22/32/784732232.db2.gz QNZGJPVKZACRII-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC000969109273 784732719 /nfs/dbraw/zinc/73/27/19/784732719.db2.gz ZEDQFEXJSVRAFF-QGZVFWFLSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001086475308 784766986 /nfs/dbraw/zinc/76/69/86/784766986.db2.gz RWWMYPJUUQJFQQ-AVGNSLFASA-N 0 3 322.840 2.067 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001007441310 784920207 /nfs/dbraw/zinc/92/02/07/784920207.db2.gz OEKHDOHRUZTTRU-OAHLLOKOSA-N 0 3 304.438 2.309 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108397186 784927184 /nfs/dbraw/zinc/92/71/84/784927184.db2.gz QCOQBIAOKADDRM-YJBOKZPZSA-N 0 3 319.449 2.499 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001007516975 784942012 /nfs/dbraw/zinc/94/20/12/784942012.db2.gz IJXRQXUJNJBSRY-GFCCVEGCSA-N 0 3 314.389 2.039 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001156248468 785015923 /nfs/dbraw/zinc/01/59/23/785015923.db2.gz UAXILYQMNYSZRC-HUUCEWRRSA-N 0 3 317.433 2.332 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001007822398 785018658 /nfs/dbraw/zinc/01/86/58/785018658.db2.gz JOBNGXRAIMJPJE-OAHLLOKOSA-N 0 3 309.413 2.396 20 30 DEEDHN Cc1ncc(CNCCCC[C@@H](C)NC(=O)CSCC#N)o1 ZINC001169258055 785119795 /nfs/dbraw/zinc/11/97/95/785119795.db2.gz MQSCIABMYQCDAD-GFCCVEGCSA-N 0 3 324.450 2.004 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001008602008 785250983 /nfs/dbraw/zinc/25/09/83/785250983.db2.gz GMUWEMNWIMJRQJ-AWEZNQCLSA-N 0 3 316.449 2.069 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001009071433 785377304 /nfs/dbraw/zinc/37/73/04/785377304.db2.gz FSKZGLMWIKSCFO-HZPDHXFCSA-N 0 3 324.428 2.201 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001009402862 785448577 /nfs/dbraw/zinc/44/85/77/785448577.db2.gz PNCCWEWLOHKDDH-HNNXBMFYSA-N 0 3 324.380 2.011 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001009522235 785473104 /nfs/dbraw/zinc/47/31/04/785473104.db2.gz DCZFXHJWUKNEQB-INIZCTEOSA-N 0 3 307.397 2.452 20 30 DEEDHN Cc1ncoc1CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC(C)C)C2 ZINC001108683829 785493530 /nfs/dbraw/zinc/49/35/30/785493530.db2.gz SWULCJWZYYYCLL-JYJNAYRXSA-N 0 3 315.417 2.112 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001009664197 785503255 /nfs/dbraw/zinc/50/32/55/785503255.db2.gz WQJMOAZDLLBIPZ-HNNXBMFYSA-N 0 3 312.417 2.262 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001009722379 785513320 /nfs/dbraw/zinc/51/33/20/785513320.db2.gz ZLFLVBVFKYCFJQ-QGZVFWFLSA-N 0 3 313.445 2.360 20 30 DEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncccc2OCC)C1 ZINC001009790565 785538840 /nfs/dbraw/zinc/53/88/40/785538840.db2.gz WCPSYIKTABGHOV-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CC(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129366422 785555784 /nfs/dbraw/zinc/55/57/84/785555784.db2.gz QBJPNFILSNLNES-CVEARBPZSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001108879005 785599957 /nfs/dbraw/zinc/59/99/57/785599957.db2.gz OBOVFWNQHNEOQX-IKGGRYGDSA-N 0 3 306.450 2.491 20 30 DEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCC[C@H](C)O)CCC1 ZINC001109393246 785847210 /nfs/dbraw/zinc/84/72/10/785847210.db2.gz YBRKZVAFMHBICS-YVSFHVDLSA-N 0 3 318.461 2.063 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001333748864 1150086495 /nfs/dbraw/zinc/08/64/95/1150086495.db2.gz FNVZFJDRLNTMKY-IAGOWNOFSA-N 0 3 321.465 2.453 20 30 DEEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001109624880 785962841 /nfs/dbraw/zinc/96/28/41/785962841.db2.gz HDQJICWDNNEPQQ-BDXSIMOUSA-N 0 3 318.461 2.471 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C2 ZINC001109936284 786104707 /nfs/dbraw/zinc/10/47/07/786104707.db2.gz QKSCZARZRMZLPS-MROQNXINSA-N 0 3 320.355 2.251 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Oc1ccccc1)C2 ZINC001110057950 786145316 /nfs/dbraw/zinc/14/53/16/786145316.db2.gz PKKQHUBVLBGEHM-MVJTYMMSSA-N 0 3 312.413 2.199 20 30 DEEDHN CCCCCCCN1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001112938382 786308603 /nfs/dbraw/zinc/30/86/03/786308603.db2.gz JBAWMWGGZJHCOJ-UHFFFAOYSA-N 0 3 306.454 2.457 20 30 DEEDHN CCCCCCCN1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001112938382 786308607 /nfs/dbraw/zinc/30/86/07/786308607.db2.gz JBAWMWGGZJHCOJ-UHFFFAOYSA-N 0 3 306.454 2.457 20 30 DEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001112978398 786344231 /nfs/dbraw/zinc/34/42/31/786344231.db2.gz LHTMIIQULVOCPT-CQSZACIVSA-N 0 3 304.438 2.014 20 30 DEEDHN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001113030127 786376399 /nfs/dbraw/zinc/37/63/99/786376399.db2.gz LYZVTVZNFDOTKG-HOTGVXAUSA-N 0 3 316.449 2.259 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001014723756 786724504 /nfs/dbraw/zinc/72/45/04/786724504.db2.gz RITRFCRPBPMWCP-AWEZNQCLSA-N 0 3 311.385 2.321 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001015014182 786858825 /nfs/dbraw/zinc/85/88/25/786858825.db2.gz LHNGRZSXDSBSAV-ZDUSSCGKSA-N 0 3 313.376 2.443 20 30 DEEDHN CCOC(=O)[C@H](C#N)Nc1ccc([C@@H]2CCCCN2C)cn1 ZINC001170369457 786925301 /nfs/dbraw/zinc/92/53/01/786925301.db2.gz VKLRYNHCXVLSLT-KBPBESRZSA-N 0 3 302.378 2.106 20 30 DEEDHN CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001170431125 787097819 /nfs/dbraw/zinc/09/78/19/787097819.db2.gz IHETYZAERGKQPR-GHJWDPDVSA-N 0 3 322.405 2.246 20 30 DEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)c1 ZINC001015679131 787183333 /nfs/dbraw/zinc/18/33/33/787183333.db2.gz URZLVROISWEYOG-LJQANCHMSA-N 0 3 319.408 2.376 20 30 DEEDHN Cc1oncc1CNC1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001100317021 787239464 /nfs/dbraw/zinc/23/94/64/787239464.db2.gz ABVHTIJVBSKXLS-UHFFFAOYSA-N 0 3 303.406 2.017 20 30 DEEDHN N#Cc1cc(CNCCNC(=O)C2(C3CC3)CC2)ccc1F ZINC001130019982 787274115 /nfs/dbraw/zinc/27/41/15/787274115.db2.gz KYBOCEUABFEGDL-UHFFFAOYSA-N 0 3 301.365 2.093 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)[C@@](C)(CC)CCC)C[C@@H]1n1ccnn1 ZINC001130062842 787280207 /nfs/dbraw/zinc/28/02/07/787280207.db2.gz ZSTZBNNFAQOOHU-VYDXJSESSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(C)(C)C)C1 ZINC001130352363 787359306 /nfs/dbraw/zinc/35/93/06/787359306.db2.gz SPOPUIHWVFFFDW-CYBMUJFWSA-N 0 3 304.438 2.437 20 30 DEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)C2CC2)C1 ZINC001130363960 787367301 /nfs/dbraw/zinc/36/73/01/787367301.db2.gz AAXDNSKPAJEBBO-OCCSQVGLSA-N 0 3 302.422 2.047 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)C1(C(F)F)CC1 ZINC001157987561 787422061 /nfs/dbraw/zinc/42/20/61/787422061.db2.gz ZUSFOSGHPPZHKT-UHFFFAOYSA-N 0 3 307.344 2.199 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)CC1 ZINC001095969220 787429659 /nfs/dbraw/zinc/42/96/59/787429659.db2.gz JUBALAIEWQTDEH-SIXLDLHFSA-N 0 3 306.450 2.489 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@H]1c1cn(C)cn1 ZINC001130644288 787450464 /nfs/dbraw/zinc/45/04/64/787450464.db2.gz LYMXSTAVFDZTGK-AHEQBSSSSA-N 0 3 314.433 2.013 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1F)C2 ZINC001096069070 787488124 /nfs/dbraw/zinc/48/81/24/787488124.db2.gz JDEZEIQUUOTQEM-COXVUDFISA-N 0 3 300.377 2.493 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccc(C)o1)C2 ZINC001096121816 787513128 /nfs/dbraw/zinc/51/31/28/787513128.db2.gz HAPWAXHDBNMPET-WCVJEAGWSA-N 0 3 300.402 2.436 20 30 DEEDHN C=CCCC(=O)N1CCC(=O)NCCN(CCC(C)(C)C)CC1 ZINC001131336933 787597751 /nfs/dbraw/zinc/59/77/51/787597751.db2.gz POXFQXKFIZRFFA-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001096307201 787606326 /nfs/dbraw/zinc/60/63/26/787606326.db2.gz NFDOYYZSLMOTPL-RDBSUJKOSA-N 0 3 301.390 2.001 20 30 DEEDHN Cc1cnc(C(=O)NCCNCc2cccc(C#N)c2)c(C)c1 ZINC001131601432 787659676 /nfs/dbraw/zinc/65/96/76/787659676.db2.gz ODMOAIZXMZLSDY-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C#CCCN1CC[C@@]2(C1)CN(C(=O)CCC(C)C)C[C@H](C)O2 ZINC001131629450 787665290 /nfs/dbraw/zinc/66/52/90/787665290.db2.gz RUBVPZWFAQGPDD-FUHWJXTLSA-N 0 3 306.450 2.138 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@@H](C)O2 ZINC001131657572 787679761 /nfs/dbraw/zinc/67/97/61/787679761.db2.gz KMBSTXFHYWHXDG-APWZRJJASA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)CC3)C2 ZINC001096462397 787681939 /nfs/dbraw/zinc/68/19/39/787681939.db2.gz QVBOQIAGWPKLJO-SQNIBIBYSA-N 0 3 323.440 2.037 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC2CC2)C1 ZINC001131996806 787872527 /nfs/dbraw/zinc/87/25/27/787872527.db2.gz YEUQHHQTHGRGNN-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001132019746 787896857 /nfs/dbraw/zinc/89/68/57/787896857.db2.gz ABSORBUNTLORFT-HZPDHXFCSA-N 0 3 306.450 2.184 20 30 DEEDHN CC(C)OCCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037862 787901083 /nfs/dbraw/zinc/90/10/83/787901083.db2.gz JISFRFIMOGBBGO-JKSUJKDBSA-N 0 3 308.466 2.430 20 30 DEEDHN C=CCOCCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@@H]1C ZINC001132065934 787923581 /nfs/dbraw/zinc/92/35/81/787923581.db2.gz ZNEZMSYKHZXISN-WMZOPIPTSA-N 0 3 316.445 2.457 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150771 787944979 /nfs/dbraw/zinc/94/49/79/787944979.db2.gz WIALXBLERWUKRW-JKSUJKDBSA-N 0 3 306.450 2.328 20 30 DEEDHN C=CCOCCN1C[C@H](NC(=O)c2cccnc2C)CC[C@H]1C ZINC001132248908 787986698 /nfs/dbraw/zinc/98/66/98/787986698.db2.gz KJOSYDYNPHQJDY-GDBMZVCRSA-N 0 3 317.433 2.175 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCNCC(=O)N1CCCC[C@@H]1CC ZINC001132308974 788021024 /nfs/dbraw/zinc/02/10/24/788021024.db2.gz 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ZINC001134725320 789050617 /nfs/dbraw/zinc/05/06/17/789050617.db2.gz AVGQUNICOYDLFX-UHFFFAOYSA-N 0 3 321.446 2.032 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001135236765 789255093 /nfs/dbraw/zinc/25/50/93/789255093.db2.gz WJPNMEMXPQRCHF-KGLIPLIRSA-N 0 3 306.454 2.488 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccnc(OC)n1 ZINC001135358659 789300393 /nfs/dbraw/zinc/30/03/93/789300393.db2.gz VYDRYMMCBPGPNQ-KGLIPLIRSA-N 0 3 320.437 2.214 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001070767755 789451893 /nfs/dbraw/zinc/45/18/93/789451893.db2.gz LAIQLWOSRUVTTC-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C[C@@H](C[C@H](C)NC(=O)c1ccncn1)NCc1ccccc1C#N ZINC001135747437 789476466 /nfs/dbraw/zinc/47/64/66/789476466.db2.gz QFMLQHJOERHTHW-KBPBESRZSA-N 0 3 323.400 2.035 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001071135350 789549613 /nfs/dbraw/zinc/54/96/13/789549613.db2.gz MJVKEGUMCNDVFF-JKSUJKDBSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)c1ccns1)C[C@H](C)O2 ZINC001071173970 789575278 /nfs/dbraw/zinc/57/52/78/789575278.db2.gz QRHTWBPPEDYOFT-XJKSGUPXSA-N 0 3 321.446 2.025 20 30 DEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(C)CCC1)C[C@H](C)O2 ZINC001071196601 789583903 /nfs/dbraw/zinc/58/39/03/789583903.db2.gz FIABWRYSEKHDIP-YJBOKZPZSA-N 0 3 306.450 2.445 20 30 DEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C1CC3(CC3)C1)C[C@@H](C)O2 ZINC001071214314 789599426 /nfs/dbraw/zinc/59/94/26/789599426.db2.gz SSDJMJOIWIYIOH-DNVCBOLYSA-N 0 3 318.461 2.445 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C(C)C)n(C)n2)CC[C@H]1C ZINC001071505437 789748370 /nfs/dbraw/zinc/74/83/70/789748370.db2.gz VXGCBPJMUGZJOQ-HUUCEWRRSA-N 0 3 316.449 2.150 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cnc(CC(C)C)[nH]2)CC[C@H]1C ZINC001071510473 789748954 /nfs/dbraw/zinc/74/89/54/789748954.db2.gz CGDVOGREDJKJNX-HUUCEWRRSA-N 0 3 316.449 2.214 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccnn2C2CCC2)CC[C@@H]1C ZINC001071515542 789752635 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CC#CCN1C[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)CC[C@H]1C ZINC001071576319 789790262 /nfs/dbraw/zinc/79/02/62/789790262.db2.gz CFTHJVKJORGUAV-NEPJUHHUSA-N 0 3 322.840 2.232 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)CC[C@H]1C ZINC001071607823 789810798 /nfs/dbraw/zinc/81/07/98/789810798.db2.gz SLRBHCSGLQLOAJ-CVEARBPZSA-N 0 3 318.465 2.472 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3c(c2)ncn3C)CC[C@@H]1C ZINC001071622716 789820723 /nfs/dbraw/zinc/82/07/23/789820723.db2.gz MMSPGNFAWJBWRE-GOEBONIOSA-N 0 3 324.428 2.179 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2nncc3ccccc32)CC[C@@H]1C ZINC001071678245 789860292 /nfs/dbraw/zinc/86/02/92/789860292.db2.gz ZWUPRTLULBXMRI-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(CC)nn2C)CC[C@H]1C ZINC001071698823 789872990 /nfs/dbraw/zinc/87/29/90/789872990.db2.gz XACQVNZLOVODPX-GDBMZVCRSA-N 0 3 318.465 2.070 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnc3n2CCCC3)CC[C@H]1C ZINC001071766113 789909214 /nfs/dbraw/zinc/90/92/14/789909214.db2.gz 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789949934 /nfs/dbraw/zinc/94/99/34/789949934.db2.gz RNBOMSRSDSXHMF-GJZGRUSLSA-N 0 3 302.422 2.070 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(OC)c2F)CC[C@H]1C ZINC001071924038 789974793 /nfs/dbraw/zinc/97/47/93/789974793.db2.gz QZPXGZBSCATEIE-ZIAGYGMSSA-N 0 3 318.392 2.440 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc3nccn3c2)CC[C@H]1C ZINC001071982223 789997669 /nfs/dbraw/zinc/99/76/69/789997669.db2.gz LZTZDNHMQKROBG-GDBMZVCRSA-N 0 3 312.417 2.493 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2coc(CCC)n2)CC[C@@H]1C ZINC001071991193 790000203 /nfs/dbraw/zinc/00/02/03/790000203.db2.gz DUWUVBKQMOFEFY-KBPBESRZSA-N 0 3 303.406 2.233 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)CC[C@@H]1C ZINC001071989851 790000425 /nfs/dbraw/zinc/00/04/25/790000425.db2.gz RSCPFXFCGUCCNR-KBPBESRZSA-N 0 3 316.449 2.068 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]c3cccnc32)CC[C@H]1C ZINC001071993664 790002043 /nfs/dbraw/zinc/00/20/43/790002043.db2.gz VPHFYMQHLMPQBR-KGLIPLIRSA-N 0 3 310.401 2.169 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ncccc2Cl)CC[C@@H]1C ZINC001072009294 790010289 /nfs/dbraw/zinc/01/02/89/790010289.db2.gz UJBVCUCUXZKQLN-STQMWFEESA-N 0 3 305.809 2.341 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)Cc2csc(CC)n2)CC[C@@H]1C ZINC001072099655 790051934 /nfs/dbraw/zinc/05/19/34/790051934.db2.gz VDWMDXWXBGYMHS-KBPBESRZSA-N 0 3 319.474 2.240 20 30 DEEDHN C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nccs1 ZINC001072285436 790106074 /nfs/dbraw/zinc/10/60/74/790106074.db2.gz VKDVBJYZIPYOEE-ZFWWWQNUSA-N 0 3 317.458 2.131 20 30 DEEDHN C[C@H](C#N)C(=O)N1CC2(C1)CCN(CCc1ccccc1F)C2 ZINC001072551361 790175299 /nfs/dbraw/zinc/17/52/99/790175299.db2.gz FDSYDLQELUJLGW-CQSZACIVSA-N 0 3 315.392 2.062 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3c(F)cccc3OC)C2)C1 ZINC001072765998 790241746 /nfs/dbraw/zinc/24/17/46/790241746.db2.gz CPSTYKUSXBRETI-UHFFFAOYSA-N 0 3 304.365 2.168 20 30 DEEDHN CC(C)C(=O)N1C[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091490121 791209786 /nfs/dbraw/zinc/20/97/86/791209786.db2.gz NVTPBGLVOXVZMK-MJGOQNOKSA-N 0 3 311.429 2.495 20 30 DEEDHN CCCc1cc(C(=O)NCCNCc2ccc(C#N)s2)no1 ZINC001146289221 791255043 /nfs/dbraw/zinc/25/50/43/791255043.db2.gz UKSBPVXDIDMRCV-UHFFFAOYSA-N 0 3 318.402 2.080 20 30 DEEDHN C=CCCOCC(=O)N[C@H](C)C[C@@H](C)NCc1nccs1 ZINC001146683836 791340608 /nfs/dbraw/zinc/34/06/08/791340608.db2.gz VYVNMLHHJNTUGE-CHWSQXEVSA-N 0 3 311.451 2.109 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001075097142 791459962 /nfs/dbraw/zinc/45/99/62/791459962.db2.gz LTOKSTZFMNRZID-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001075139980 791479564 /nfs/dbraw/zinc/47/95/64/791479564.db2.gz RLJITSKNVUIYOR-HOTGVXAUSA-N 0 3 323.481 2.179 20 30 DEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCN3C)C2 ZINC001098167073 791587061 /nfs/dbraw/zinc/58/70/61/791587061.db2.gz IZQNBYNNHNZCNJ-LMMKCTJWSA-N 0 3 323.440 2.037 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(CF)CC1)C[C@H](C)O2 ZINC001098639434 791667529 /nfs/dbraw/zinc/66/75/29/791667529.db2.gz WFFWQKDQTOABOF-AWEZNQCLSA-N 0 3 310.413 2.004 20 30 DEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc(F)c2)C1 ZINC001098752387 791692811 /nfs/dbraw/zinc/69/28/11/791692811.db2.gz GEGXASNBHNDPGT-YOEHRIQHSA-N 0 3 303.381 2.381 20 30 DEEDHN C#Cc1ccc(C(=O)NCCNCc2ccc(Cl)s2)nc1 ZINC001148369978 791742036 /nfs/dbraw/zinc/74/20/36/791742036.db2.gz CHEDQEOFGHGNRV-UHFFFAOYSA-N 0 3 319.817 2.297 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)CN(CC)c3ccccc3)C2)C1 ZINC001148827784 791803685 /nfs/dbraw/zinc/80/36/85/791803685.db2.gz LFQAVDPGAFMXFD-UHFFFAOYSA-N 0 3 313.445 2.233 20 30 DEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)SC)C2)CC1 ZINC001086905310 791844262 /nfs/dbraw/zinc/84/42/62/791844262.db2.gz XQWONDPAHWQAHH-CABCVRRESA-N 0 3 308.491 2.464 20 30 DEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3cscn3)C2)CC1 ZINC001086906635 791845483 /nfs/dbraw/zinc/84/54/83/791845483.db2.gz BVYWXDSIFOIWHF-ZDUSSCGKSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccns3)C2)CC1 ZINC001086925622 791853794 /nfs/dbraw/zinc/85/37/94/791853794.db2.gz BXYADDUMIOYKNQ-CYBMUJFWSA-N 0 3 303.431 2.093 20 30 DEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cnoc3CC)C2)CC1 ZINC001086945914 791858213 /nfs/dbraw/zinc/85/82/13/791858213.db2.gz LNKNYNGTRJQELL-CQSZACIVSA-N 0 3 315.417 2.187 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)nc3C3CC3)C[C@]2(C)C1 ZINC001091889491 791894987 /nfs/dbraw/zinc/89/49/87/791894987.db2.gz JDCKBZBBVHIOIV-UZLBHIALSA-N 0 3 323.440 2.295 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C(C)C)on3)C[C@]2(C)C1 ZINC001091892517 791896798 /nfs/dbraw/zinc/89/67/98/791896798.db2.gz QGUKOQVRQIVYFN-KDOFPFPSSA-N 0 3 315.417 2.215 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc4ncccc43)C[C@]2(C)C1 ZINC001091896752 791905092 /nfs/dbraw/zinc/90/50/92/791905092.db2.gz XDGMVRBDFOVCNV-QRWLVFNGSA-N 0 3 319.408 2.262 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3ccco3)C[C@]2(C)C1 ZINC001092008743 791915922 /nfs/dbraw/zinc/91/59/22/791915922.db2.gz WXQHCENWRRQUOA-DAYGRLMNSA-N 0 3 300.402 2.187 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3csc(C(C)C)n3)C[C@]2(C)C1 ZINC001092101549 791932123 /nfs/dbraw/zinc/93/21/23/791932123.db2.gz JDTUOFQBHHRQFC-DYVFJYSZSA-N 0 3 317.458 2.294 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(CC(C)C)c[nH]3)C[C@]2(C)C1 ZINC001092202961 791944848 /nfs/dbraw/zinc/94/48/48/791944848.db2.gz YBUUVLFMENLWEV-APWZRJJASA-N 0 3 313.445 2.240 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc3ccccn23)C1 ZINC001098912458 791980999 /nfs/dbraw/zinc/98/09/99/791980999.db2.gz JWKQWPLRDIJVQU-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN C=CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO)c1ccccc1 ZINC001110130732 791983465 /nfs/dbraw/zinc/98/34/65/791983465.db2.gz BPIVUUDFYBTVSJ-BDXSIMOUSA-N 0 3 314.429 2.060 20 30 DEEDHN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C2 ZINC001111463286 792000683 /nfs/dbraw/zinc/00/06/83/792000683.db2.gz HZKFDXKPOSYIER-ZJPYXAASSA-N 0 3 313.445 2.197 20 30 DEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)cs2)C1 ZINC001098972537 792010571 /nfs/dbraw/zinc/01/05/71/792010571.db2.gz IYGMTYAYWPLXKL-GUYCJALGSA-N 0 3 318.442 2.364 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001099040386 792055481 /nfs/dbraw/zinc/05/54/81/792055481.db2.gz AVZSNEFBMVKEJR-GNBUJSLZSA-N 0 3 323.440 2.179 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cccnn32)C1 ZINC001099066305 792073166 /nfs/dbraw/zinc/07/31/66/792073166.db2.gz ALGHDKRRXXZNAX-KSSFIOAISA-N 0 3 310.401 2.105 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c(c2)COC3)C1 ZINC001099072564 792077717 /nfs/dbraw/zinc/07/77/17/792077717.db2.gz UOSLFUNAFQOOGY-HKUYNNGSSA-N 0 3 312.413 2.487 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccn(CC)n1 ZINC001099084689 792084596 /nfs/dbraw/zinc/08/45/96/792084596.db2.gz DNRHEMHPVYHLBI-INIZCTEOSA-N 0 3 318.465 2.238 20 30 DEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001099118776 792104040 /nfs/dbraw/zinc/10/40/40/792104040.db2.gz BHMJTMINCYLAOE-LPHOPBHVSA-N 0 3 318.461 2.350 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C(F)(F)F ZINC001099200920 792136215 /nfs/dbraw/zinc/13/62/15/792136215.db2.gz ROEXYERXUQUZDD-CHWSQXEVSA-N 0 3 313.323 2.250 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2cnc3ccccc3c2C)[C@H](C)C1 ZINC001092839171 792136876 /nfs/dbraw/zinc/13/68/76/792136876.db2.gz JFFYFZRDDQYJHA-GDBMZVCRSA-N 0 3 321.424 2.474 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1C(F)(F)F ZINC001099203677 792139251 /nfs/dbraw/zinc/13/92/51/792139251.db2.gz LGPFUNAFUIFSJW-VXGBXAGGSA-N 0 3 318.364 2.456 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCc1ncccn1 ZINC001099276527 792158046 /nfs/dbraw/zinc/15/80/46/792158046.db2.gz SSYGLLXJGIFSMZ-OAHLLOKOSA-N 0 3 316.449 2.202 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2nccc3ccccc32)[C@H](C)C1 ZINC001092919184 792159356 /nfs/dbraw/zinc/15/93/56/792159356.db2.gz DOXLUNAGFZFRLG-GDBMZVCRSA-N 0 3 307.397 2.166 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1C(F)(F)F ZINC001099314340 792168646 /nfs/dbraw/zinc/16/86/46/792168646.db2.gz MGPRIIFAJXLNCV-IJLUTSLNSA-N 0 3 302.340 2.342 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCN(C)C(C)=O ZINC001099325825 792172185 /nfs/dbraw/zinc/17/21/85/792172185.db2.gz ZEXJCOVIIXUCMJ-MRXNPFEDSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCN[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C(F)(F)F ZINC001099343642 792176840 /nfs/dbraw/zinc/17/68/40/792176840.db2.gz QECPBMOPBBILRN-VXGBXAGGSA-N 0 3 315.339 2.287 20 30 DEEDHN C#CCN1C[C@@H](CNC(=O)c2ccccc2OCC)[C@H](C)C1 ZINC001093171467 792273158 /nfs/dbraw/zinc/27/31/58/792273158.db2.gz SDSYLVPRUUBYCI-HUUCEWRRSA-N 0 3 300.402 2.016 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2cccs2)C[C@@H]1O ZINC001099959968 792420618 /nfs/dbraw/zinc/42/06/18/792420618.db2.gz LSANGMCFNYCDRV-GJZGRUSLSA-N 0 3 322.474 2.054 20 30 DEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)OCCCC)C1 ZINC001100165185 792494422 /nfs/dbraw/zinc/49/44/22/792494422.db2.gz KHPNDHOLPZBDRO-HSBZDZAISA-N 0 3 302.846 2.429 20 30 DEEDHN C=C(Br)CNC1CC(CNC(=O)/C(C)=C/C)C1 ZINC001100228492 792530835 /nfs/dbraw/zinc/53/08/35/792530835.db2.gz QNGRUBNFEPGMIO-RUDMXATFSA-N 0 3 301.228 2.346 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100285636 792564471 /nfs/dbraw/zinc/56/44/71/792564471.db2.gz ORRWVHKIYZYVNC-RWKZGTHUSA-N 0 3 320.408 2.137 20 30 DEEDHN CCc1onc(C)c1CNC1CC(CNC(=O)C#CC(C)C)C1 ZINC001100310585 792583737 /nfs/dbraw/zinc/58/37/37/792583737.db2.gz ZMUBHTWFFSIFMX-UHFFFAOYSA-N 0 3 317.433 2.189 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001094014827 792679824 /nfs/dbraw/zinc/67/98/24/792679824.db2.gz QQWYIQGEUQJSFE-IIDMSEBBSA-N 0 3 318.465 2.207 20 30 DEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc4cnccc4o3)CCC[C@@H]12 ZINC001094459101 792932927 /nfs/dbraw/zinc/93/29/27/792932927.db2.gz CHUPQELUPPKOHO-IEBWSBKVSA-N 0 3 323.396 2.435 20 30 DEEDHN C=CCO[C@H](C)C(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001101057089 792993712 /nfs/dbraw/zinc/99/37/12/792993712.db2.gz HMHLPASRIADION-VQCLRJIVSA-N 0 3 320.408 2.401 20 30 DEEDHN N#Cc1ccc(OCCNc2ccc3c(c2)COC32CNC2)cc1 ZINC001171484814 793091605 /nfs/dbraw/zinc/09/16/05/793091605.db2.gz RXQSRANZBUCRMR-UHFFFAOYSA-N 0 3 321.380 2.378 20 30 DEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CC(F)(F)F)C[C@]2(C)C1 ZINC001101433541 793157601 /nfs/dbraw/zinc/15/76/01/793157601.db2.gz WPRBIFCTJITGML-NFAWXSAZSA-N 0 3 316.367 2.379 20 30 DEEDHN C#CC[NH2+]CCCC[C@H](C)NC(=O)c1[n-]nc(C2CC2)c1Cl ZINC001171674059 793166736 /nfs/dbraw/zinc/16/67/36/793166736.db2.gz HUBNDZOJRUGCGA-NSHDSACASA-N 0 3 322.840 2.452 20 30 DEEDHN C=CC[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)OC ZINC001171731442 793185597 /nfs/dbraw/zinc/18/55/97/793185597.db2.gz BDXKKUDMOMOVSP-OIISXLGYSA-N 0 3 302.418 2.357 20 30 DEEDHN N#Cc1ccccc1CNCCCNC(=O)COc1ccccc1 ZINC001171891171 793241480 /nfs/dbraw/zinc/24/14/80/793241480.db2.gz UFDIJEBLHLWHTD-UHFFFAOYSA-N 0 3 323.396 2.233 20 30 DEEDHN C=CCC[C@@H](C)N1CC2(C1)C[C@H](NC(=O)C1CC1)c1nccn12 ZINC001101599646 793263261 /nfs/dbraw/zinc/26/32/61/793263261.db2.gz RXEOVAYWMNMGPM-HIFRSBDPSA-N 0 3 314.433 2.220 20 30 DEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(c2ncccc2N)CC1 ZINC001172311129 793395565 /nfs/dbraw/zinc/39/55/65/793395565.db2.gz PUHATEBIWLXRMY-HNNXBMFYSA-N 0 3 321.428 2.289 20 30 DEEDHN C[C@H](CCCC#N)NCc1cc(OC2CCOCC2)ncn1 ZINC001172488671 793436756 /nfs/dbraw/zinc/43/67/56/793436756.db2.gz VQAFACVKLGFNNT-CYBMUJFWSA-N 0 3 304.394 2.206 20 30 DEEDHN CO[C@@H]1CN([C@@H](C)CCCC#N)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172503657 793440592 /nfs/dbraw/zinc/44/05/92/793440592.db2.gz GLDDCFKSJLCXGI-MELADBBJSA-N 0 3 311.426 2.293 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccc(O)cc2)CC1 ZINC001204098898 793481816 /nfs/dbraw/zinc/48/18/16/793481816.db2.gz NCRISJJHELYRNZ-UHFFFAOYSA-N 0 3 315.461 2.184 20 30 DEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1CCC[C@@H](OC)C1 ZINC001172944864 793541250 /nfs/dbraw/zinc/54/12/50/793541250.db2.gz YKOSUDRTIODPOQ-BFYDXBDKSA-N 0 3 319.449 2.480 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001102920121 793823619 /nfs/dbraw/zinc/82/36/19/793823619.db2.gz SBTAEXGOFRAGTH-XPKDYRNWSA-N 0 3 314.857 2.140 20 30 DEEDHN C=C[C@](C)(CCOC)C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103274718 794014956 /nfs/dbraw/zinc/01/49/56/794014956.db2.gz RGOGJTSGWXYYSC-BFYDXBDKSA-N 0 3 314.445 2.259 20 30 DEEDHN C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001174874633 794092841 /nfs/dbraw/zinc/09/28/41/794092841.db2.gz RWIJJHOTXKGHMN-ZDUSSCGKSA-N 0 3 320.437 2.335 20 30 DEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001103448524 794097350 /nfs/dbraw/zinc/09/73/50/794097350.db2.gz QLFNZSAJUXNTCB-GBOPCIDUSA-N 0 3 314.857 2.238 20 30 DEEDHN C=CCCCC(=O)N[C@@H](C)CCCCNCc1cn(CC)nn1 ZINC001174978354 794112114 /nfs/dbraw/zinc/11/21/14/794112114.db2.gz LAMMSBKAWQRLKF-HNNXBMFYSA-N 0 3 321.469 2.419 20 30 DEEDHN Cc1cnc(CNCC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)s1 ZINC001104005266 794343086 /nfs/dbraw/zinc/34/30/86/794343086.db2.gz YAVTWDFVYLKPFT-YRGRVCCFSA-N 0 3 320.462 2.185 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C ZINC001104072720 794369538 /nfs/dbraw/zinc/36/95/38/794369538.db2.gz JZPADBKKWRIYGQ-CZUORRHYSA-N 0 3 321.852 2.451 20 30 DEEDHN C=C[C@@H](C(=O)NCCCNCc1nccnc1C)c1ccccc1 ZINC001176781688 794493207 /nfs/dbraw/zinc/49/32/07/794493207.db2.gz JWLXCCBRKHCQDQ-QGZVFWFLSA-N 0 3 324.428 2.351 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001111834423 794493916 /nfs/dbraw/zinc/49/39/16/794493916.db2.gz TYODNAKKONQXKK-DYEKYZERSA-N 0 3 302.340 2.179 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2cncs2)C1 ZINC001111871814 794508211 /nfs/dbraw/zinc/50/82/11/794508211.db2.gz LUONTNMKHLKCJU-YOEHRIQHSA-N 0 3 317.458 2.070 20 30 DEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cccc2)C1 ZINC001111949107 794531945 /nfs/dbraw/zinc/53/19/45/794531945.db2.gz NUEXXFXIDXTVHY-LNLFQRSKSA-N 0 3 313.445 2.433 20 30 DEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccccc2F)C1 ZINC001111979060 794539193 /nfs/dbraw/zinc/53/91/93/794539193.db2.gz YAXCHEFLQULWLJ-LPHOPBHVSA-N 0 3 314.404 2.362 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@H]1C(F)(F)F ZINC001112060030 794551745 /nfs/dbraw/zinc/55/17/45/794551745.db2.gz PDQBTSJCMQKAOO-JHJVBQTASA-N 0 3 322.371 2.357 20 30 DEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1C(F)(F)F ZINC001112120214 794562226 /nfs/dbraw/zinc/56/22/26/794562226.db2.gz IYPCEMMRHAEURX-GMTAPVOTSA-N 0 3 324.293 2.034 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](N[C@@H](C)COC)C1 ZINC001112157131 794565526 /nfs/dbraw/zinc/56/55/26/794565526.db2.gz SKSMMXHCQGVHNX-YNEHKIRRSA-N 0 3 322.371 2.357 20 30 DEEDHN CC(C)OCCCC(=O)NCCCNCc1ccccc1C#N ZINC001177396730 794659684 /nfs/dbraw/zinc/65/96/84/794659684.db2.gz YAIRFFFZMULASA-UHFFFAOYSA-N 0 3 317.433 2.359 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c2ccccc12 ZINC001115198657 794702037 /nfs/dbraw/zinc/70/20/37/794702037.db2.gz CHBAJFHNFIXUBS-MNZLEMJZSA-N 0 3 309.413 2.333 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001115337939 794740053 /nfs/dbraw/zinc/74/00/53/794740053.db2.gz AFQAQRUPWOQQCP-VZEFYGNVSA-N 0 3 302.393 2.237 20 30 DEEDHN C#CCCCC(=O)NCCCCCCNCc1nccn1CC ZINC001178328035 794901013 /nfs/dbraw/zinc/90/10/13/794901013.db2.gz WWYPDVWIWILUAM-UHFFFAOYSA-N 0 3 318.465 2.473 20 30 DEEDHN C#CCCCCCC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001179314079 795098736 /nfs/dbraw/zinc/09/87/36/795098736.db2.gz PQOUEKJHHZIJHR-RDJZCZTQSA-N 0 3 316.449 2.083 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H](NCc2c(C)nnn2CC)[C@@H]1C ZINC001179454752 795117424 /nfs/dbraw/zinc/11/74/24/795117424.db2.gz GWZRJLUBPFLKER-GJZGRUSLSA-N 0 3 319.453 2.042 20 30 DEEDHN COc1ccc(C[C@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC001118060530 795148296 /nfs/dbraw/zinc/14/82/96/795148296.db2.gz FYUVSIYFZBOHQY-XJKSGUPXSA-N 0 3 303.406 2.106 20 30 DEEDHN C=CCC(C)(C)C(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179693298 795155427 /nfs/dbraw/zinc/15/54/27/795155427.db2.gz WIPAWICXPVGTLP-UHFFFAOYSA-N 0 3 321.469 2.184 20 30 DEEDHN COC(=O)c1cc(C#N)cc(NC(=O)CN(C)C2CCCC2)c1 ZINC001180629669 795346926 /nfs/dbraw/zinc/34/69/26/795346926.db2.gz SWRUMNDBKKGLKN-UHFFFAOYSA-N 0 3 315.373 2.158 20 30 DEEDHN C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2ccn(CC)n2)C1 ZINC001180846573 795377332 /nfs/dbraw/zinc/37/73/32/795377332.db2.gz OHKTZUGRKWPRDZ-CRAIPNDOSA-N 0 3 318.465 2.443 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2ccn(C)n2)CCCCC1 ZINC001120135082 795411180 /nfs/dbraw/zinc/41/11/80/795411180.db2.gz FFMDIJUQIATTFF-UHFFFAOYSA-N 0 3 310.829 2.195 20 30 DEEDHN C=CCCC(=O)NC1CC2(CC(NCc3cc(OC)no3)C2)C1 ZINC001120818892 795536302 /nfs/dbraw/zinc/53/63/02/795536302.db2.gz HUFHYUWWXVBDBC-UHFFFAOYSA-N 0 3 319.405 2.166 20 30 DEEDHN CC[C@@H](C)OCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001182073234 795602070 /nfs/dbraw/zinc/60/20/70/795602070.db2.gz CDSRWGPKILGYML-CHWSQXEVSA-N 0 3 321.446 2.125 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)c2[nH]c(C)cc2C)CC1 ZINC001151180041 795665292 /nfs/dbraw/zinc/66/52/92/795665292.db2.gz BDDBEWHETJBKDS-UHFFFAOYSA-N 0 3 319.449 2.418 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC001121881943 795698986 /nfs/dbraw/zinc/69/89/86/795698986.db2.gz UCNMDLKIAMPGAG-IAGOWNOFSA-N 0 3 320.433 2.307 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C(=O)OCC)cc1 ZINC001121933661 795706024 /nfs/dbraw/zinc/70/60/24/795706024.db2.gz VUDFDLSIHZLTJD-OAHLLOKOSA-N 0 3 304.390 2.163 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccnn1-c1ccccc1 ZINC001122237323 795738637 /nfs/dbraw/zinc/73/86/37/795738637.db2.gz VWQNWVSFIXGDII-QGZVFWFLSA-N 0 3 312.417 2.215 20 30 DEEDHN C=C(C)CCC(=O)N1CC[C@@H](NCC(=O)NCCC(C)(C)C)C1 ZINC001182933452 795786423 /nfs/dbraw/zinc/78/64/23/795786423.db2.gz URNQIIBASQIGJI-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN N#CC1(COC(=O)C2CCCN(C3CC3)C2=O)CCCCC1 ZINC001122886675 795815536 /nfs/dbraw/zinc/81/55/36/795815536.db2.gz NNLIPLOWDRLCMU-AWEZNQCLSA-N 0 3 304.390 2.405 20 30 DEEDHN C#CCC1(C(=O)N2CC[C@@H](NCc3cc(C)ns3)C2)CCC1 ZINC001183193467 795821773 /nfs/dbraw/zinc/82/17/73/795821773.db2.gz LOZMYHVIFWLXHN-CQSZACIVSA-N 0 3 317.458 2.336 20 30 DEEDHN Cc1occc1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001123281168 795884118 /nfs/dbraw/zinc/88/41/18/795884118.db2.gz DJRHJRFFKAKWBE-UHFFFAOYSA-N 0 3 301.321 2.118 20 30 DEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2cnc(C)cn2)[C@H](C)C1 ZINC001184077663 795989895 /nfs/dbraw/zinc/98/98/95/795989895.db2.gz JQWZZHQXMHIVFX-ZBFHGGJFSA-N 0 3 316.449 2.325 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CNCc2ocnc2C)[C@@H](C)C1 ZINC001184312899 796032910 /nfs/dbraw/zinc/03/29/10/796032910.db2.gz VYOWWGZRLJUXLD-GOEBONIOSA-N 0 3 317.433 2.361 20 30 DEEDHN C/C(=C/C(=O)NCCNCc1ccc(F)c(C#N)c1)C1CC1 ZINC001124216787 796046236 /nfs/dbraw/zinc/04/62/36/796046236.db2.gz BMKVUFOPYCPLBS-WQLSENKSSA-N 0 3 301.365 2.259 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cc(CC)no2)CC1 ZINC001203231154 796168271 /nfs/dbraw/zinc/16/82/71/796168271.db2.gz BMAQRFMRMPDQLM-UHFFFAOYSA-N 0 3 318.465 2.029 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)CC)C1 ZINC001185071372 796183643 /nfs/dbraw/zinc/18/36/43/796183643.db2.gz UHQAFEAIPNRLMQ-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2csc(-c3ccco3)n2)C1 ZINC001185207528 796212050 /nfs/dbraw/zinc/21/20/50/796212050.db2.gz HZTXBGFDPMQCET-GFCCVEGCSA-N 0 3 315.398 2.231 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncccc1[O-])C2 ZINC001138393856 796212476 /nfs/dbraw/zinc/21/24/76/796212476.db2.gz XNGZSDDRWHGYMT-YOEHRIQHSA-N 0 3 304.390 2.113 20 30 DEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncccc1[O-])C2 ZINC001138393856 796212479 /nfs/dbraw/zinc/21/24/79/796212479.db2.gz XNGZSDDRWHGYMT-YOEHRIQHSA-N 0 3 304.390 2.113 20 30 DEEDHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC(C#N)(c2ccccc2)CC1 ZINC001138462407 796221968 /nfs/dbraw/zinc/22/19/68/796221968.db2.gz SIGVZZFPSLOXPQ-UHFFFAOYSA-N 0 3 324.384 2.254 20 30 DEEDHN C=CCCCC(=O)N1CC[C@@H](NCc2ccnc(N(C)C)c2)C1 ZINC001185297044 796232347 /nfs/dbraw/zinc/23/23/47/796232347.db2.gz XVLZPBJFUBADQY-MRXNPFEDSA-N 0 3 316.449 2.194 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2ccccc2-n2cccc2)C1 ZINC001185344575 796244179 /nfs/dbraw/zinc/24/41/79/796244179.db2.gz XOEYWNGPMPSOAG-MRXNPFEDSA-N 0 3 307.397 2.305 20 30 DEEDHN C=CCc1cccc(C[N@H+](CC)CCN2CCOCC2)c1[O-] ZINC001138628382 796245673 /nfs/dbraw/zinc/24/56/73/796245673.db2.gz UBGUOMKAUGGUOW-UHFFFAOYSA-N 0 3 304.434 2.275 20 30 DEEDHN C=CCc1cccc(C[N@@H+](CC)CCN2CCOCC2)c1[O-] ZINC001138628382 796245680 /nfs/dbraw/zinc/24/56/80/796245680.db2.gz UBGUOMKAUGGUOW-UHFFFAOYSA-N 0 3 304.434 2.275 20 30 DEEDHN CCSc1ncc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001138652481 796251874 /nfs/dbraw/zinc/25/18/74/796251874.db2.gz UGYJPXPFCFSUHV-LBPRGKRZSA-N 0 3 307.444 2.363 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@@H](CC)Oc2ccccc2C)C1 ZINC001185977251 796346601 /nfs/dbraw/zinc/34/66/01/796346601.db2.gz ORQBSHUQJGEEBN-IAGOWNOFSA-N 0 3 314.429 2.366 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001186090530 796359087 /nfs/dbraw/zinc/35/90/87/796359087.db2.gz MQUKIRQHROKGIE-MRXNPFEDSA-N 0 3 309.413 2.233 20 30 DEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H](NC/C=C/Cl)C2)cc1 ZINC001186164430 796364775 /nfs/dbraw/zinc/36/47/75/796364775.db2.gz WUPHBKCHBCPGNK-RUGXIKGKSA-N 0 3 318.804 2.255 20 30 DEEDHN N#Cc1cccc2c(CN3CCC4(C[C@@H](O)CO4)CC3)c[nH]c21 ZINC001139704487 796413682 /nfs/dbraw/zinc/41/36/82/796413682.db2.gz WIEYGGNOLIYUKK-OAHLLOKOSA-N 0 3 311.385 2.155 20 30 DEEDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139724348 796416475 /nfs/dbraw/zinc/41/64/75/796416475.db2.gz PQYZMJBWWFOBSS-INIZCTEOSA-N 0 3 314.385 2.211 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)c2sc(CC3CC3)nc2C)C1 ZINC001186585197 796419574 /nfs/dbraw/zinc/41/95/74/796419574.db2.gz XCWRINANDWLMIW-CQSZACIVSA-N 0 3 317.458 2.231 20 30 DEEDHN C=CCn1cc(CN(C)C2CCN(C(=O)OCC)CC2)cn1 ZINC001139772387 796425415 /nfs/dbraw/zinc/42/54/15/796425415.db2.gz HTEYYRLJVILCIB-UHFFFAOYSA-N 0 3 306.410 2.122 20 30 DEEDHN C=CCn1cc(CN2C[C@@H]3C(=O)N(c4ccccc4)C[C@@H]3C2)cn1 ZINC001139771514 796425807 /nfs/dbraw/zinc/42/58/07/796425807.db2.gz GCLPCJXTDODVFK-WMZOPIPTSA-N 0 3 322.412 2.164 20 30 DEEDHN C=CCn1cc(CN2CCC[C@]3(CCC(=O)N3C)[C@@H]2CC)cn1 ZINC001139772057 796425960 /nfs/dbraw/zinc/42/59/60/796425960.db2.gz YMJILDUBKDIUPP-WMZOPIPTSA-N 0 3 316.449 2.435 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccnc(F)c3)C2)C1=O ZINC001139831731 796432923 /nfs/dbraw/zinc/43/29/23/796432923.db2.gz ATFIKSWESLRFCI-QGZVFWFLSA-N 0 3 303.381 2.221 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)[C@H](CC)Oc2ccccc2F)C1 ZINC001187077023 796485490 /nfs/dbraw/zinc/48/54/90/796485490.db2.gz KKYUOFLVWUUJIL-ZBFHGGJFSA-N 0 3 318.392 2.197 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H]2CN(CC=C(C)C)C[C@H]21 ZINC001187102169 796489024 /nfs/dbraw/zinc/48/90/24/796489024.db2.gz VJGKOHDTUIXVPW-IXDOHACOSA-N 0 3 306.450 2.467 20 30 DEEDHN CC#CCN[C@@H]1CCN(C(=O)COc2ccccc2C(C)C)C1 ZINC001187649923 796562594 /nfs/dbraw/zinc/56/25/94/796562594.db2.gz PHMXZYNKVILKDJ-MRXNPFEDSA-N 0 3 314.429 2.403 20 30 DEEDHN N#Cc1cccc(CN2CCC[C@@]3(CCNC3=O)C2)c1Cl ZINC001140812311 796576897 /nfs/dbraw/zinc/57/68/97/796576897.db2.gz UMHXPILPMWYVFN-MRXNPFEDSA-N 0 3 303.793 2.314 20 30 DEEDHN C#CC[C@H](CC(=O)N1CC[C@@H](NCCF)C1)c1ccccc1 ZINC001188438664 796670130 /nfs/dbraw/zinc/67/01/30/796670130.db2.gz RVFCTXYAMDXKQC-IAGOWNOFSA-N 0 3 302.393 2.344 20 30 DEEDHN N#Cc1ccc2c(CN3CCC(N4CCOC4=O)CC3)c[nH]c2c1 ZINC001142922487 796785209 /nfs/dbraw/zinc/78/52/09/796785209.db2.gz JLZBTTFQBSJXOG-UHFFFAOYSA-N 0 3 324.384 2.456 20 30 DEEDHN CCN1CCN(Cc2ccc(NC(=O)CCC#N)cc2)CC1 ZINC001143198685 796811631 /nfs/dbraw/zinc/81/16/31/796811631.db2.gz HZIJDGCHHWIKSL-UHFFFAOYSA-N 0 3 300.406 2.066 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(CC=C(C)C)CCCO1 ZINC001149356812 796845218 /nfs/dbraw/zinc/84/52/18/796845218.db2.gz UJPYQFWIPTUTPU-IAGOWNOFSA-N 0 3 324.465 2.141 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001149789059 796895865 /nfs/dbraw/zinc/89/58/65/796895865.db2.gz LCJRGYSQHQOQMH-CQSZACIVSA-N 0 3 300.418 2.155 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001189909412 796900187 /nfs/dbraw/zinc/90/01/87/796900187.db2.gz CLXRWYWPCIWZEU-GOSISDBHSA-N 0 3 309.413 2.394 20 30 DEEDHN Cc1ncsc1CCN(C)[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190055118 796928007 /nfs/dbraw/zinc/92/80/07/796928007.db2.gz WLWHBWKBZQPPJV-OAHLLOKOSA-N 0 3 319.474 2.186 20 30 DEEDHN CN(C[C@H]1CCCCO1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084587 796935780 /nfs/dbraw/zinc/93/57/80/796935780.db2.gz PQXSYOUOHBDWKT-JKSUJKDBSA-N 0 3 306.450 2.138 20 30 DEEDHN C#CCCN1CCCO[C@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001150542273 796951884 /nfs/dbraw/zinc/95/18/84/796951884.db2.gz XEQVJHQXDTUDLA-MRXNPFEDSA-N 0 3 306.450 2.187 20 30 DEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001150685358 796968206 /nfs/dbraw/zinc/96/82/06/796968206.db2.gz LCUYZDOTDFTBQA-KRWDZBQOSA-N 0 3 320.408 2.151 20 30 DEEDHN C=C[C@H](C(=O)NC[C@H]1CN(CC)CCCO1)c1ccccc1 ZINC001150754376 796974783 /nfs/dbraw/zinc/97/47/83/796974783.db2.gz ZALSHHQHOOWWPE-IRXDYDNUSA-N 0 3 302.418 2.183 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001110425038 796979340 /nfs/dbraw/zinc/97/93/40/796979340.db2.gz DRCIRNLKKCXTER-ZACQAIPSSA-N 0 3 324.465 2.116 20 30 DEEDHN Cc1cccc(OCC(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001150881622 796987639 /nfs/dbraw/zinc/98/76/39/796987639.db2.gz UTLBQMMVZRWVTA-UHFFFAOYSA-N 0 3 323.396 2.152 20 30 DEEDHN C=C(C)CN1CCC(CCOC)(NC(=O)c2ccc[nH]2)CC1 ZINC001150937581 796992715 /nfs/dbraw/zinc/99/27/15/796992715.db2.gz HAORNAMADDTGIN-UHFFFAOYSA-N 0 3 305.422 2.192 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001190443985 796998299 /nfs/dbraw/zinc/99/82/99/796998299.db2.gz MNHQANSQDVKDMW-DLBZAZTESA-N 0 3 324.465 2.093 20 30 DEEDHN C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001151266625 797028255 /nfs/dbraw/zinc/02/82/55/797028255.db2.gz JUYLSARSWITQQF-HUUCEWRRSA-N 0 3 312.429 2.298 20 30 DEEDHN CCC(=O)NC[C@@H](C)N(CC)Cc1ccc(OC)c(C#N)c1 ZINC001151468790 797050044 /nfs/dbraw/zinc/05/00/44/797050044.db2.gz GDVYDTQAUKVTGT-CYBMUJFWSA-N 0 3 303.406 2.303 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001190819672 797085218 /nfs/dbraw/zinc/08/52/18/797085218.db2.gz ZUNNSVMVHIVGNS-CVEARBPZSA-N 0 3 304.438 2.189 20 30 DEEDHN C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837702 797090112 /nfs/dbraw/zinc/09/01/12/797090112.db2.gz SQASIPYKFNPOGW-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001190837702 797090119 /nfs/dbraw/zinc/09/01/19/797090119.db2.gz SQASIPYKFNPOGW-CQSZACIVSA-N 0 3 318.421 2.075 20 30 DEEDHN CCCCCCCC[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001151848086 797106572 /nfs/dbraw/zinc/10/65/72/797106572.db2.gz DZUNPQPSAIVOLR-CABCVRRESA-N 0 3 313.486 2.213 20 30 DEEDHN CCCCCCCC[C@H](C)C(=O)NCCN[C@@H](CC)C(N)=O ZINC001151849190 797106798 /nfs/dbraw/zinc/10/67/98/797106798.db2.gz XNLNOTSHNABYHW-GJZGRUSLSA-N 0 3 313.486 2.343 20 30 DEEDHN Cc1ccc(C)n1[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001152348649 797175084 /nfs/dbraw/zinc/17/50/84/797175084.db2.gz QYKXLNKYOGOEDJ-MRXNPFEDSA-N 0 3 324.428 2.444 20 30 DEEDHN CCN(CCc1c(F)cccc1F)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414046 797184299 /nfs/dbraw/zinc/18/42/99/797184299.db2.gz VIDQUHVNNWLRSF-CHWSQXEVSA-N 0 3 323.387 2.494 20 30 DEEDHN C[C@@H](CC(=O)NCCNCc1ccc(F)c(C#N)c1)C1CC1 ZINC001152576868 797207298 /nfs/dbraw/zinc/20/72/98/797207298.db2.gz CHUCUDCCWPGYPC-LBPRGKRZSA-N 0 3 303.381 2.339 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)N(CC)C[C@@H](O)c1ccccc1 ZINC001153024977 797270800 /nfs/dbraw/zinc/27/08/00/797270800.db2.gz IXAQLYNYKKTUHU-SJLPKXTDSA-N 0 3 316.445 2.350 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)CCc2ccnn2C)C1 ZINC001191889103 797281596 /nfs/dbraw/zinc/28/15/96/797281596.db2.gz ATUGTIPYFLLNCU-WBVHZDCISA-N 0 3 318.465 2.098 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001153302288 797317996 /nfs/dbraw/zinc/31/79/96/797317996.db2.gz JTRXIMIYAXOMMI-OAHLLOKOSA-N 0 3 320.408 2.192 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001153312262 797318255 /nfs/dbraw/zinc/31/82/55/797318255.db2.gz CDXXLZQCQJBEJK-CQSZACIVSA-N 0 3 318.465 2.410 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1cccc(F)c1 ZINC001153306976 797318908 /nfs/dbraw/zinc/31/89/08/797318908.db2.gz YBWCICJKQUCJOL-HUUCEWRRSA-N 0 3 320.408 2.191 20 30 DEEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001192137096 797332249 /nfs/dbraw/zinc/33/22/49/797332249.db2.gz OMYFBVHISOQHFG-ZIAGYGMSSA-N 0 3 318.408 2.163 20 30 DEEDHN C=CCC1(C(=O)N2CC[C@H](N(C)CCn3cccn3)C2)CCC1 ZINC001192190304 797335056 /nfs/dbraw/zinc/33/50/56/797335056.db2.gz MHCUFFHEJZHYFS-INIZCTEOSA-N 0 3 316.449 2.162 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ncnc2sccc21 ZINC001153445348 797339815 /nfs/dbraw/zinc/33/98/15/797339815.db2.gz CUMANLMNSWENAL-GFCCVEGCSA-N 0 3 316.430 2.155 20 30 DEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)c2occc2CC)C1 ZINC001192181566 797341427 /nfs/dbraw/zinc/34/14/27/797341427.db2.gz VYIOZQYZBBHJFE-HNNXBMFYSA-N 0 3 306.406 2.191 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001153548939 797352159 /nfs/dbraw/zinc/35/21/59/797352159.db2.gz NGRCXQBSTDUHDR-ZIAGYGMSSA-N 0 3 306.381 2.053 20 30 DEEDHN C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001192387918 797378569 /nfs/dbraw/zinc/37/85/69/797378569.db2.gz ZPAODANTNJMXEP-CQSZACIVSA-N 0 3 315.889 2.250 20 30 DEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC001192559729 797406986 /nfs/dbraw/zinc/40/69/86/797406986.db2.gz JNAPOSFATJCZPN-SJORKVTESA-N 0 3 320.408 2.433 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)OCc2ccccc2)C1 ZINC001192559853 797407120 /nfs/dbraw/zinc/40/71/20/797407120.db2.gz LFVYSJKMZYZXMF-NVXWUHKLSA-N 0 3 302.418 2.310 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001192599437 797419092 /nfs/dbraw/zinc/41/90/92/797419092.db2.gz JBVKQSFNXFQHRR-HZPDHXFCSA-N 0 3 308.466 2.330 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1cnn2ccc(C)cc12 ZINC001153910476 797422322 /nfs/dbraw/zinc/42/23/22/797422322.db2.gz RPRXLXBMWFDQTF-OAHLLOKOSA-N 0 3 312.417 2.106 20 30 DEEDHN C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001153932998 797425090 /nfs/dbraw/zinc/42/50/90/797425090.db2.gz JYBUIJCXGGCCGL-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001153932998 797425091 /nfs/dbraw/zinc/42/50/91/797425091.db2.gz JYBUIJCXGGCCGL-GFCCVEGCSA-N 0 3 318.421 2.076 20 30 DEEDHN C=C(Br)CNCCCNC(=O)Cc1cccs1 ZINC001154195674 797483258 /nfs/dbraw/zinc/48/32/58/797483258.db2.gz YYMFGBOPORHJNK-UHFFFAOYSA-N 0 3 317.252 2.295 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1O ZINC001193231541 797526775 /nfs/dbraw/zinc/52/67/75/797526775.db2.gz IAKHCAWAJSLFRU-NXVGNOFTSA-N 0 3 306.450 2.272 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC)c1ccccn1 ZINC001154864783 797628398 /nfs/dbraw/zinc/62/83/98/797628398.db2.gz BWEZXYXUQBCZCN-HZPDHXFCSA-N 0 3 301.434 2.425 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2ccccc2OC)C1 ZINC001193847002 797637895 /nfs/dbraw/zinc/63/78/95/797637895.db2.gz USFPZWPHDHFPSE-HNNXBMFYSA-N 0 3 318.417 2.183 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCOc2ccccc2C)C1 ZINC001194011807 797662208 /nfs/dbraw/zinc/66/22/08/797662208.db2.gz YNXUHBKFJXROFK-INIZCTEOSA-N 0 3 302.418 2.483 20 30 DEEDHN C=C(Br)CNCCCNC(=O)CCSCC ZINC001155075020 797675278 /nfs/dbraw/zinc/67/52/78/797675278.db2.gz FTTNGACUOHNAMT-UHFFFAOYSA-N 0 3 309.273 2.134 20 30 DEEDHN CN1CCC(N(C(=O)c2cncc(C#N)c2)C2CCCC2)CC1 ZINC001194114694 797677177 /nfs/dbraw/zinc/67/71/77/797677177.db2.gz SYKZLPJHKNVHEO-UHFFFAOYSA-N 0 3 312.417 2.432 20 30 DEEDHN C=CCNC(=O)c1cccnc1-n1c2ccccc2nc1[C@H](C)N ZINC001155257518 797718567 /nfs/dbraw/zinc/71/85/67/797718567.db2.gz GVVGXKLHTQDFJJ-LBPRGKRZSA-N 0 3 321.384 2.356 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCNCc1c(C)onc1CC ZINC001155427499 797754890 /nfs/dbraw/zinc/75/48/90/797754890.db2.gz SXAPHQIRCWFSGU-CQSZACIVSA-N 0 3 323.437 2.123 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](C)OCCCC ZINC001155432796 797756292 /nfs/dbraw/zinc/75/62/92/797756292.db2.gz GYSNBTZUSBTNMK-GFCCVEGCSA-N 0 3 321.259 2.196 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)OCc1ccccc1 ZINC001155484699 797769867 /nfs/dbraw/zinc/76/98/67/797769867.db2.gz OAVVUGJVAHNWRK-HZPDHXFCSA-N 0 3 302.418 2.052 20 30 DEEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001195013001 797809552 /nfs/dbraw/zinc/80/95/52/797809552.db2.gz VMKGNBIWPWREGM-IAGOWNOFSA-N 0 3 320.477 2.474 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc(F)c2ncccc2c1 ZINC001155856189 797868243 /nfs/dbraw/zinc/86/82/43/797868243.db2.gz DUUYDEWBQVYPAR-CYBMUJFWSA-N 0 3 313.376 2.447 20 30 DEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1O ZINC001195301766 797874734 /nfs/dbraw/zinc/87/47/34/797874734.db2.gz QOSJWSULPWYTJI-WPLBAPSMSA-N 0 3 306.450 2.088 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001195452943 797903472 /nfs/dbraw/zinc/90/34/72/797903472.db2.gz RWOKISQUYDFGDV-SJORKVTESA-N 0 3 324.465 2.071 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC001195652528 797939987 /nfs/dbraw/zinc/93/99/87/797939987.db2.gz RCVCOBGGNHUGOR-LJQANCHMSA-N 0 3 316.445 2.091 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N1CCCN(CC/C=C\CCC)CC1 ZINC001195792098 797963001 /nfs/dbraw/zinc/96/30/01/797963001.db2.gz OHFUPRMNWKLFDI-QWPQOLDESA-N 0 3 306.450 2.305 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001156330838 797976514 /nfs/dbraw/zinc/97/65/14/797976514.db2.gz XLHCKONMFYDZKC-CYBMUJFWSA-N 0 3 304.438 2.171 20 30 DEEDHN C=CCCCN1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC001195966637 797985467 /nfs/dbraw/zinc/98/54/67/797985467.db2.gz PCUWHMVVKXAEDE-UHFFFAOYSA-N 0 3 312.364 2.392 20 30 DEEDHN COC(C)(C)CNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156440292 798001041 /nfs/dbraw/zinc/00/10/41/798001041.db2.gz YUMAISDQBZFYDY-LLVKDONJSA-N 0 3 320.393 2.262 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)COC[C@@H](C)c1ccccc1 ZINC001156647785 798051693 /nfs/dbraw/zinc/05/16/93/798051693.db2.gz IZWDMLBDVGTGNT-IAGOWNOFSA-N 0 3 316.445 2.267 20 30 DEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001196446285 798055162 /nfs/dbraw/zinc/05/51/62/798055162.db2.gz PTTMKGXPLXAVGW-KURKYZTESA-N 0 3 316.445 2.164 20 30 DEEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)Cc1ccccc1C ZINC001156808699 798085444 /nfs/dbraw/zinc/08/54/44/798085444.db2.gz ZREIBNDFBJDAEY-QGZVFWFLSA-N 0 3 316.445 2.014 20 30 DEEDHN C#CCCCCC(=O)NCCCN[C@H](C)c1cnc(C)cn1 ZINC001156817066 798088008 /nfs/dbraw/zinc/08/80/08/798088008.db2.gz XUXQZKMKENMSIP-OAHLLOKOSA-N 0 3 302.422 2.136 20 30 DEEDHN C#Cc1ccc(C(=O)N2CCCN(CCCOCC)CC2)cc1 ZINC001196711185 798094697 /nfs/dbraw/zinc/09/46/97/798094697.db2.gz UWWRPYFSQMLMMC-UHFFFAOYSA-N 0 3 314.429 2.242 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)Cc2ccoc2)c(F)c1 ZINC001156966345 798118765 /nfs/dbraw/zinc/11/87/65/798118765.db2.gz PXSCNECRFZAKEI-UHFFFAOYSA-N 0 3 315.348 2.129 20 30 DEEDHN C=CCCCC(=O)N1CCCN(CCCO[C@@H]2CCOC2)CC1 ZINC001197000002 798135224 /nfs/dbraw/zinc/13/52/24/798135224.db2.gz HQGPRGKRLUHQEN-QGZVFWFLSA-N 0 3 324.465 2.073 20 30 DEEDHN C=C(Cl)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001157109053 798144652 /nfs/dbraw/zinc/14/46/52/798144652.db2.gz HYNCZIQHGDNSRL-CABCVRRESA-N 0 3 315.889 2.440 20 30 DEEDHN C=C(Br)CNCCCNC(=O)c1cc(C)sn1 ZINC001157208432 798162970 /nfs/dbraw/zinc/16/29/70/798162970.db2.gz HHTVXHMJDOUGEE-UHFFFAOYSA-N 0 3 318.240 2.070 20 30 DEEDHN C#CCN(CC)[C@H](C)CNC(=O)CCc1cccc(OCC)c1 ZINC001157190892 798159516 /nfs/dbraw/zinc/15/95/16/798159516.db2.gz VQXWJXYZQNCDDH-MRXNPFEDSA-N 0 3 316.445 2.478 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)COc1ccc(F)c(F)c1 ZINC001157312419 798181505 /nfs/dbraw/zinc/18/15/05/798181505.db2.gz XUPFATBZLOKFOV-CYBMUJFWSA-N 0 3 324.371 2.194 20 30 DEEDHN CC#CCN(CC)[C@H](C)CNC(=O)CCc1cncc(F)c1 ZINC001157333367 798184704 /nfs/dbraw/zinc/18/47/04/798184704.db2.gz FISMFJZWSHQPAF-CQSZACIVSA-N 0 3 305.397 2.003 20 30 DEEDHN C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001197858490 798247043 /nfs/dbraw/zinc/24/70/43/798247043.db2.gz AISXPZICDYUEHS-YNEHKIRRSA-N 0 3 322.371 2.093 20 30 DEEDHN CCC(CC)n1ccc(CNCCCNC(=O)C#CC(C)C)n1 ZINC001157639129 798247552 /nfs/dbraw/zinc/24/75/52/798247552.db2.gz ZMFFVJGYBFLJRI-UHFFFAOYSA-N 0 3 318.465 2.500 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)c1ccn(C)c1 ZINC001157802795 798282719 /nfs/dbraw/zinc/28/27/19/798282719.db2.gz WPSQFLNPAINZKQ-QGZVFWFLSA-N 0 3 319.449 2.154 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001157880119 798296886 /nfs/dbraw/zinc/29/68/86/798296886.db2.gz LLQUROOBJFEAQH-STQMWFEESA-N 0 3 324.371 2.160 20 30 DEEDHN C=CCCOCC(=O)N1CCCN(CCCCCF)CC1 ZINC001198330223 798317039 /nfs/dbraw/zinc/31/70/39/798317039.db2.gz HHYLGJIVMDWCID-UHFFFAOYSA-N 0 3 300.418 2.253 20 30 DEEDHN C=CCCN[C@@H](CNC(=O)c1ccon1)c1ccccc1OC ZINC001198576186 798358306 /nfs/dbraw/zinc/35/83/06/798358306.db2.gz AKUYIWBPXFZELV-HNNXBMFYSA-N 0 3 315.373 2.320 20 30 DEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCNC(=O)C(C)(C)C ZINC001158300835 798379827 /nfs/dbraw/zinc/37/98/27/798379827.db2.gz SSVIUAPVMVDGPJ-OAHLLOKOSA-N 0 3 323.481 2.038 20 30 DEEDHN C=CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001158349437 798389848 /nfs/dbraw/zinc/38/98/48/798389848.db2.gz HQAUORLVIXJNIK-HZPDHXFCSA-N 0 3 314.445 2.496 20 30 DEEDHN N#Cc1cnc2cc[nH]c(N3CCCc4ccc(CN)nc43)c1-2 ZINC001158652243 798444598 /nfs/dbraw/zinc/44/45/98/798444598.db2.gz KQTYNSDHRKOMAM-UHFFFAOYSA-N 0 3 304.357 2.373 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)NCCCN[C@H](C)c1cnccn1 ZINC001158863963 798480868 /nfs/dbraw/zinc/48/08/68/798480868.db2.gz LHKWQSIYHWDGRQ-LLVKDONJSA-N 0 3 310.829 2.412 20 30 DEEDHN CC[C@H]1CC[C@H](C(=O)NCCCNCc2ccccc2C#N)O1 ZINC001159172341 798533328 /nfs/dbraw/zinc/53/33/28/798533328.db2.gz WGCKLQMBAYGJEJ-DLBZAZTESA-N 0 3 315.417 2.112 20 30 DEEDHN CN1CCN(c2cccc(NCc3ccc(C#N)s3)n2)CC1 ZINC001159177358 798534296 /nfs/dbraw/zinc/53/42/96/798534296.db2.gz SKDMEOMVYRHABU-UHFFFAOYSA-N 0 3 313.430 2.379 20 30 DEEDHN C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CCCO1 ZINC001199887565 798559168 /nfs/dbraw/zinc/55/91/68/798559168.db2.gz WOQBZIQFPQRYDW-OAHLLOKOSA-N 0 3 318.417 2.179 20 30 DEEDHN C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2[O-])CCCO1 ZINC001199887680 798559309 /nfs/dbraw/zinc/55/93/09/798559309.db2.gz XTTNBGXTBNFGIS-HNNXBMFYSA-N 0 3 318.417 2.179 20 30 DEEDHN C[C@@H](Nc1nc(C#N)c(Cl)cc1Cl)[C@H]1CNCCO1 ZINC001159503207 798575003 /nfs/dbraw/zinc/57/50/03/798575003.db2.gz UYGLMDCVHMDQLB-RDDDGLTNSA-N 0 3 301.177 2.049 20 30 DEEDHN O=C(C#CC1CC1)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200434932 798637564 /nfs/dbraw/zinc/63/75/64/798637564.db2.gz UZOGQPJXPVMZRW-XFXZXTDPSA-N 0 3 301.217 2.299 20 30 DEEDHN C#CCN1CC=C(CCNC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001160126225 798650558 /nfs/dbraw/zinc/65/05/58/798650558.db2.gz XEDUABWQYYITCD-UHFFFAOYSA-N 0 3 322.412 2.028 20 30 DEEDHN C=C(C)CCC(=O)NCCC1=CCN(CCOCCOC)CC1 ZINC001160257953 798667562 /nfs/dbraw/zinc/66/75/62/798667562.db2.gz KWZVTDYKTGAQAQ-UHFFFAOYSA-N 0 3 324.465 2.144 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1cnn2c1ccc(C)c2C ZINC001160266183 798668849 /nfs/dbraw/zinc/66/88/49/798668849.db2.gz BDGAJLOYMJIXOI-UHFFFAOYSA-N 0 3 320.824 2.413 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001160314477 798673815 /nfs/dbraw/zinc/67/38/15/798673815.db2.gz NHSOOBOXAOYPEQ-IAGOWNOFSA-N 0 3 306.450 2.372 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC001160324101 798673997 /nfs/dbraw/zinc/67/39/97/798673997.db2.gz IHKGNJOOFWPFHO-QZTJIDSGSA-N 0 3 318.461 2.353 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001160324031 798674199 /nfs/dbraw/zinc/67/41/99/798674199.db2.gz FSZJRBRYXYVREC-ROUUACIJSA-N 0 3 318.461 2.209 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)COCC2CCCC2)CC1 ZINC001160379856 798681591 /nfs/dbraw/zinc/68/15/91/798681591.db2.gz PESDBAJIOIDNBC-UHFFFAOYSA-N 0 3 318.461 2.355 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(CC)s2)CCCO1 ZINC001200902633 798695226 /nfs/dbraw/zinc/69/52/26/798695226.db2.gz PSPNVCISMALQRJ-AWEZNQCLSA-N 0 3 320.458 2.155 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(CC(C)C)CCC2)CCCO1 ZINC001200944399 798700864 /nfs/dbraw/zinc/70/08/64/798700864.db2.gz IDWWZZVEOAHMKR-KRWDZBQOSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cn2cc(C3CC3)cn2)CC1 ZINC001160544530 798702832 /nfs/dbraw/zinc/70/28/32/798702832.db2.gz JELVDLSHOVRPRU-UHFFFAOYSA-N 0 3 314.433 2.085 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@@H](CNC[C@@H](F)CC)C1 ZINC001201139845 798715187 /nfs/dbraw/zinc/71/51/87/798715187.db2.gz ZNLDVVXFMYYREC-KBPBESRZSA-N 0 3 300.418 2.154 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)CCc2cccnc2)CC1 ZINC001160612877 798712402 /nfs/dbraw/zinc/71/24/02/798712402.db2.gz GIHBUDGZCNYJLK-UHFFFAOYSA-N 0 3 311.429 2.176 20 30 DEEDHN C=CCN1CC=C(CCNC(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC001160657367 798716926 /nfs/dbraw/zinc/71/69/26/798716926.db2.gz IUZKFHPXHWOGMM-UHFFFAOYSA-N 0 3 324.428 2.430 20 30 DEEDHN C=CCCCC(=O)N1CCCO[C@H](CNCc2cccnc2)C1 ZINC001201284375 798728384 /nfs/dbraw/zinc/72/83/84/798728384.db2.gz SUODCFDWZFUUKG-QGZVFWFLSA-N 0 3 317.433 2.145 20 30 DEEDHN C=C(Br)CNCCCNC(=O)[C@@H](C)C1CCC1 ZINC001160779294 798740019 /nfs/dbraw/zinc/74/00/19/798740019.db2.gz MLVJQGKGZBRPON-NSHDSACASA-N 0 3 303.244 2.427 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(C)(C)C2)CCCO1 ZINC001201360338 798741881 /nfs/dbraw/zinc/74/18/81/798741881.db2.gz XBDNEERPHKPNEX-CVEARBPZSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN1CCC[C@H]1CNc1nc(Cl)cc(C)c1C(N)=O ZINC001160952911 798768920 /nfs/dbraw/zinc/76/89/20/798768920.db2.gz IDTOBSFEBTUVKI-NSHDSACASA-N 0 3 308.813 2.205 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C(CC)(CC)CC)CCCO1 ZINC001201726415 798790608 /nfs/dbraw/zinc/79/06/08/798790608.db2.gz KEXQBAMRMRIBHL-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)C2(CC)CCCC2)CCCO1 ZINC001201759269 798795555 /nfs/dbraw/zinc/79/55/55/798795555.db2.gz UGQOLZQMCXHJLF-INIZCTEOSA-N 0 3 306.450 2.187 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)c2cc(C)ccc2C)CCCO1 ZINC001201943995 798813735 /nfs/dbraw/zinc/81/37/35/798813735.db2.gz CTLADWBRFGZZEQ-QGZVFWFLSA-N 0 3 314.429 2.147 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(NCc2cc(OC)no2)CC1 ZINC001202122388 798829232 /nfs/dbraw/zinc/82/92/32/798829232.db2.gz AARWSXXMXFAEEV-CYBMUJFWSA-N 0 3 321.421 2.366 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)CC(C2CC2)C2CC2)CCCO1 ZINC001202154521 798833787 /nfs/dbraw/zinc/83/37/87/798833787.db2.gz OOVLXWYGKVBNKX-KRWDZBQOSA-N 0 3 318.461 2.043 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cccc(C3CC3)c2)CCCO1 ZINC001202166087 798835377 /nfs/dbraw/zinc/83/53/77/798835377.db2.gz VCQKLBSYSSIZEL-SFHVURJKSA-N 0 3 312.413 2.018 20 30 DEEDHN C#CCNC[C@@H]1CN(C(=O)C23CC(C(C)(C)C)(C2)C3)CCCO1 ZINC001202191393 798839204 /nfs/dbraw/zinc/83/92/04/798839204.db2.gz JWVIJNLAFDYFJW-VNCLNFNDSA-N 0 3 318.461 2.043 20 30 DEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001202421433 798885023 /nfs/dbraw/zinc/88/50/23/798885023.db2.gz VHVDHCJTAWMXQJ-JTQLQIEISA-N 0 3 315.251 2.282 20 30 DEEDHN Cc1c(C#N)c(NCCCN2CCN(C)CC2)nc2ccccc12 ZINC001161703710 798916746 /nfs/dbraw/zinc/91/67/46/798916746.db2.gz LMLSSUXSGVKQCR-UHFFFAOYSA-N 0 3 323.444 2.464 20 30 DEEDHN CC#CCN1CC=C(CCNC(=O)c2cc(CC)on2)CC1 ZINC001161729655 798924612 /nfs/dbraw/zinc/92/46/12/798924612.db2.gz ZWECGPSDIOZABD-UHFFFAOYSA-N 0 3 301.390 2.012 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCC[C@@H]2C)(COC)CC1 ZINC001162280069 799048308 /nfs/dbraw/zinc/04/83/08/799048308.db2.gz LJPQVNJHCPFFCS-IRXDYDNUSA-N 0 3 320.477 2.291 20 30 DEEDHN N#Cc1c(C(F)(F)F)cc(Cl)nc1-n1cnc(CN)c1 ZINC001162293893 799052533 /nfs/dbraw/zinc/05/25/33/799052533.db2.gz DLTPOMQXCMFQSE-UHFFFAOYSA-N 0 3 301.659 2.270 20 30 DEEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CC[C@H](C)C2)(COC)CC1 ZINC001162418589 799082759 /nfs/dbraw/zinc/08/27/59/799082759.db2.gz DMHUUJXIAYZOLJ-DLBZAZTESA-N 0 3 320.477 2.291 20 30 DEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CC23CCC3)(COC)CC1 ZINC001162513674 799107310 /nfs/dbraw/zinc/10/73/10/799107310.db2.gz RYEIMQKZYPHYMT-INIZCTEOSA-N 0 3 318.461 2.045 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)c1ccncc1 ZINC001162666378 799141521 /nfs/dbraw/zinc/14/15/21/799141521.db2.gz KILXEUHRYXMAON-UHFFFAOYSA-N 0 3 321.424 2.379 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCCOC)C12CCC2 ZINC001202541730 799171558 /nfs/dbraw/zinc/17/15/58/799171558.db2.gz CWIXMHKSGZZKQD-OLZOCXBDSA-N 0 3 300.830 2.183 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)c1n[nH]cc1C ZINC001162806718 799180042 /nfs/dbraw/zinc/18/00/42/799180042.db2.gz KEWXAHYFROSFMM-UHFFFAOYSA-N 0 3 324.428 2.016 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)c1ccns1 ZINC001162822161 799184831 /nfs/dbraw/zinc/18/48/31/799184831.db2.gz HFCIBDNNEIWPOL-UHFFFAOYSA-N 0 3 313.426 2.051 20 30 DEEDHN C=C(Br)CNCCCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001162857856 799190610 /nfs/dbraw/zinc/19/06/10/799190610.db2.gz XHAFJATYLJTIKE-STQMWFEESA-N 0 3 315.255 2.427 20 30 DEEDHN CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OCC#N)cc1 ZINC001137116704 799192322 /nfs/dbraw/zinc/19/23/22/799192322.db2.gz NTLYGUFKVKHZAE-SFHVURJKSA-N 0 3 313.401 2.176 20 30 DEEDHN COC(=O)C1(C)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137119512 799194996 /nfs/dbraw/zinc/19/49/96/799194996.db2.gz RXEAXNJCXIWXQW-UHFFFAOYSA-N 0 3 302.374 2.364 20 30 DEEDHN N#CCOc1ccc(CN2CCC(N3CC(F)C3)CC2)cc1 ZINC001137120291 799197216 /nfs/dbraw/zinc/19/72/16/799197216.db2.gz BLAYCONFNVEHHT-UHFFFAOYSA-N 0 3 303.381 2.207 20 30 DEEDHN CC#CCNCCN(CCc1ccccc1)C(=O)[C@H]1CC12CC2 ZINC001162947007 799205407 /nfs/dbraw/zinc/20/54/07/799205407.db2.gz WZWNRMKNGYNUTK-GOSISDBHSA-N 0 3 310.441 2.471 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001162951045 799206868 /nfs/dbraw/zinc/20/68/68/799206868.db2.gz ICFUPFMZMMCWGC-KGLIPLIRSA-N 0 3 300.830 2.183 20 30 DEEDHN C#CCNCCN(CCc1ccccc1)C(=O)CCn1cccc1 ZINC001162970626 799211955 /nfs/dbraw/zinc/21/19/55/799211955.db2.gz FRIKMIUBLGDSTE-UHFFFAOYSA-N 0 3 323.440 2.172 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC001006356416 799265307 /nfs/dbraw/zinc/26/53/07/799265307.db2.gz DWGTYTKWRGWECH-UHFFFAOYSA-N 0 3 318.417 2.426 20 30 DEEDHN C=C(Br)CNCC1(CCNC(=O)CSC)CC1 ZINC001163303200 799303891 /nfs/dbraw/zinc/30/38/91/799303891.db2.gz BRISIBKANQTMGC-UHFFFAOYSA-N 0 3 321.284 2.134 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCC(NCc2nccn2C)CC1 ZINC001202693965 799361302 /nfs/dbraw/zinc/36/13/02/799361302.db2.gz GHJYXBOISMUELU-UHFFFAOYSA-N 0 3 304.438 2.103 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NCCCNCc1cc(OC)ccn1 ZINC001163855974 799447307 /nfs/dbraw/zinc/44/73/07/799447307.db2.gz VVLWQIBOSPTBKX-UHFFFAOYSA-N 0 3 305.422 2.288 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)CO[C@H](C)CC)C[C@H](C)O2 ZINC001111542839 799495374 /nfs/dbraw/zinc/49/53/74/799495374.db2.gz WTMAMRSZKYPKOR-CVEARBPZSA-N 0 3 324.465 2.069 20 30 DEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccnc(C)n1)C2 ZINC001110851392 799502466 /nfs/dbraw/zinc/50/24/66/799502466.db2.gz WVXVJTJICFMWKE-ZACQAIPSSA-N 0 3 314.433 2.015 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)CC[C@H](C)OC)CC1 ZINC001164202695 799537400 /nfs/dbraw/zinc/53/74/00/799537400.db2.gz PKPFBMGGHFAIDT-ZDUSSCGKSA-N 0 3 302.846 2.430 20 30 DEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1cccc(OC)n1 ZINC001164221346 799543617 /nfs/dbraw/zinc/54/36/17/799543617.db2.gz AHDIODPAKHVXOR-ZIAGYGMSSA-N 0 3 305.422 2.144 20 30 DEEDHN CC#CCCCC(=O)NCCCNCc1cc(C2CC2)no1 ZINC001164244380 799551129 /nfs/dbraw/zinc/55/11/29/799551129.db2.gz BPPFGCQOIBFRRV-UHFFFAOYSA-N 0 3 303.406 2.342 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001095433036 799592718 /nfs/dbraw/zinc/59/27/18/799592718.db2.gz UEORASHPRMOWQT-NRKLIOEPSA-N 0 3 304.434 2.265 20 30 DEEDHN CCCc1cc(C#N)c(-n2ncc3c2CCNC3)nc1Cl ZINC001165218371 799675511 /nfs/dbraw/zinc/67/55/11/799675511.db2.gz CADMVGJAXQYNCV-UHFFFAOYSA-N 0 3 301.781 2.391 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)CCOc1ccc(F)cc1 ZINC001165657146 799756573 /nfs/dbraw/zinc/75/65/73/799756573.db2.gz CDNDTYIVHKCLOK-UHFFFAOYSA-N 0 3 314.788 2.443 20 30 DEEDHN C=CCC1(C(=O)NCCCNCc2cccnc2OC)CCC1 ZINC001165998027 799811105 /nfs/dbraw/zinc/81/11/05/799811105.db2.gz KFPLGVLETLWREM-UHFFFAOYSA-N 0 3 317.433 2.433 20 30 DEEDHN CN(C)/C=N/c1ccc(NCc2ccccc2C(N)=O)cc1C#N ZINC001166222389 799845508 /nfs/dbraw/zinc/84/55/08/799845508.db2.gz AKIXHZWFOYXNJO-WSDLNYQXSA-N 0 3 321.384 2.491 20 30 DEEDHN N#Cc1ccc(F)c(CNCCCNC(=O)C2(CF)CC2)c1 ZINC001166354488 799861284 /nfs/dbraw/zinc/86/12/84/799861284.db2.gz BZOKWTIEPKTIAN-UHFFFAOYSA-N 0 3 307.344 2.043 20 30 DEEDHN C#CCOc1ccccc1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000932880861 799958311 /nfs/dbraw/zinc/95/83/11/799958311.db2.gz ROFZAEVPTJUZGB-INIZCTEOSA-N 0 3 300.402 2.188 20 30 DEEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@@H]([C@H]2CCCO2)C1 ZINC000933183413 800034503 /nfs/dbraw/zinc/03/45/03/800034503.db2.gz PSHFPGGTQMNCQO-RBSFLKMASA-N 0 3 308.422 2.359 20 30 DEEDHN COc1cccc(CN2CCC3SC(=O)C=C3C2)c1OC ZINC001203444187 800048346 /nfs/dbraw/zinc/04/83/46/800048346.db2.gz RGOMXDONAZTGPE-AWEZNQCLSA-N 0 3 305.399 2.478 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CCOC12CCCC2 ZINC000934391284 800341231 /nfs/dbraw/zinc/34/12/31/800341231.db2.gz LAHYFZYNWLLAOX-GFCCVEGCSA-N 0 3 305.403 2.250 20 30 DEEDHN C=CCCCN(CC)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000934650001 800409190 /nfs/dbraw/zinc/40/91/90/800409190.db2.gz HCSRFNPSIQVDFI-UHFFFAOYSA-N 0 3 310.438 2.076 20 30 DEEDHN C=C[C@H](CC)CC(=O)N1CCC(CNCc2nccn2C)CC1 ZINC001205989436 800454654 /nfs/dbraw/zinc/45/46/54/800454654.db2.gz UHAHQTHMXPVYMV-OAHLLOKOSA-N 0 3 318.465 2.351 20 30 DEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cccnc3OC)C2)C1=O ZINC001206569824 800556525 /nfs/dbraw/zinc/55/65/25/800556525.db2.gz ZIIKFPDGBKKYPN-GOSISDBHSA-N 0 3 315.417 2.091 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1C ZINC001206607778 800563438 /nfs/dbraw/zinc/56/34/38/800563438.db2.gz ZWCCVQBVRFZGPQ-NVXWUHKLSA-N 0 3 302.418 2.134 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001206957556 800641272 /nfs/dbraw/zinc/64/12/72/800641272.db2.gz DNTKKJCSRCKOSN-CZUORRHYSA-N 0 3 320.458 2.033 20 30 DEEDHN O=C(C1CC1)N1CCC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001206990750 800648711 /nfs/dbraw/zinc/64/87/11/800648711.db2.gz WSLQGPNSDQISQX-QGZVFWFLSA-N 0 3 300.377 2.168 20 30 DEEDHN C=CCN(CC=C)CCN1CCN(Cc2cncc(F)c2)CC1 ZINC001207024900 800662071 /nfs/dbraw/zinc/66/20/71/800662071.db2.gz IJUQUZFEYHXIKZ-UHFFFAOYSA-N 0 3 318.440 2.012 20 30 DEEDHN COC[C@@H]1COCCC12CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC001207105988 800683664 /nfs/dbraw/zinc/68/36/64/800683664.db2.gz GYHHFDLLPVFZSR-MRXNPFEDSA-N 0 3 317.433 2.162 20 30 DEEDHN CSCCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001207212038 800710971 /nfs/dbraw/zinc/71/09/71/800710971.db2.gz DZUOXZHAGVNLNS-LBPRGKRZSA-N 0 3 323.487 2.453 20 30 DEEDHN CC[C@@H](OC)C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001207591038 800786020 /nfs/dbraw/zinc/78/60/20/800786020.db2.gz BIFWVACPXPRGTK-QZTJIDSGSA-N 0 3 314.429 2.044 20 30 DEEDHN C=CCOCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001207679502 800804991 /nfs/dbraw/zinc/80/49/91/800804991.db2.gz AJUOFEMIFYRBMO-MRXNPFEDSA-N 0 3 320.408 2.417 20 30 DEEDHN C#CCCCCC(=O)N1CCC[C@@H](NCc2ccns2)C1 ZINC001207863328 800852747 /nfs/dbraw/zinc/85/27/47/800852747.db2.gz LXTODIXIAFXKLV-CQSZACIVSA-N 0 3 305.447 2.417 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001208193512 800927006 /nfs/dbraw/zinc/92/70/06/800927006.db2.gz HDLKAPSXEPPKPF-INIZCTEOSA-N 0 3 316.449 2.269 20 30 DEEDHN C#CCC1(C(=O)N2CCC[C@H](NCc3cccnc3)C2)CCC1 ZINC001208318431 800953422 /nfs/dbraw/zinc/95/34/22/800953422.db2.gz AILGHPHCDLURCO-KRWDZBQOSA-N 0 3 311.429 2.356 20 30 DEEDHN N#Cc1cccc(CCCN2CCOC3(CCOCC3)C2)c1 ZINC001208850905 801079064 /nfs/dbraw/zinc/07/90/64/801079064.db2.gz NKWXYVDYQUJCPO-UHFFFAOYSA-N 0 3 300.402 2.372 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCCC)C1 ZINC001208920008 801093521 /nfs/dbraw/zinc/09/35/21/801093521.db2.gz ZVSQOZGVKGNMFV-LSDHHAIUSA-N 0 3 323.481 2.084 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NCCCC)C1 ZINC001208919334 801093848 /nfs/dbraw/zinc/09/38/48/801093848.db2.gz QAELCBSJLCGKTL-OAHLLOKOSA-N 0 3 323.481 2.086 20 30 DEEDHN Cc1cncnc1O[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC001208928416 801096210 /nfs/dbraw/zinc/09/62/10/801096210.db2.gz HMMAIUSDAIZVIB-QGZVFWFLSA-N 0 3 308.385 2.353 20 30 DEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001208953921 801100497 /nfs/dbraw/zinc/10/04/97/801100497.db2.gz BSGGNLNSIKSUHT-GDBMZVCRSA-N 0 3 318.465 2.001 20 30 DEEDHN COCOCCCN1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001209028163 801115515 /nfs/dbraw/zinc/11/55/15/801115515.db2.gz OOMFVIURVUJWET-INIZCTEOSA-N 0 3 304.390 2.412 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001209047345 801119891 /nfs/dbraw/zinc/11/98/91/801119891.db2.gz UMNUHRPSFIZJQC-DJIMGWMZSA-N 0 3 306.450 2.184 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCn1cccn1 ZINC001230184428 801368252 /nfs/dbraw/zinc/36/82/52/801368252.db2.gz LQZDAPAVXUYYTK-HUUCEWRRSA-N 0 3 324.856 2.433 20 30 DEEDHN N#Cc1ccc(C[N@@H+]2CCN[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001210383735 801389262 /nfs/dbraw/zinc/38/92/62/801389262.db2.gz UAQBAFDJXLCKTF-GOSISDBHSA-N 0 3 307.397 2.280 20 30 DEEDHN N#Cc1ccc(C[N@H+]2CCN[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001210383735 801389269 /nfs/dbraw/zinc/38/92/69/801389269.db2.gz UAQBAFDJXLCKTF-GOSISDBHSA-N 0 3 307.397 2.280 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1=COCCO1 ZINC001230654253 801452271 /nfs/dbraw/zinc/45/22/71/801452271.db2.gz MTPBHYKAQHORQI-HNNXBMFYSA-N 0 3 308.422 2.154 20 30 DEEDHN C=CCOCC(=O)NCCCN(CC(=C)C)Cc1cccnc1 ZINC001230709618 801469453 /nfs/dbraw/zinc/46/94/53/801469453.db2.gz FXGFZVFAAKAJKV-UHFFFAOYSA-N 0 3 317.433 2.169 20 30 DEEDHN C=C(C)CN(CCCNC(=O)CCOCC)Cc1cccnc1 ZINC001230709352 801470121 /nfs/dbraw/zinc/47/01/21/801470121.db2.gz AXQNHWHTICUDSK-UHFFFAOYSA-N 0 3 319.449 2.393 20 30 DEEDHN C=C(C)CN(CCCNC(=O)[C@@H](C)COC)Cc1cccnc1 ZINC001230710425 801470536 /nfs/dbraw/zinc/47/05/36/801470536.db2.gz YUVKNGZBUZJYRM-INIZCTEOSA-N 0 3 319.449 2.249 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CCOc2ccc(OC)cc2)C1 ZINC001211003498 801497758 /nfs/dbraw/zinc/49/77/58/801497758.db2.gz HKIDNLGCLUUUSG-RHSMWYFYSA-N 0 3 318.417 2.087 20 30 DEEDHN C=CCCCC(=O)NCCCN(CCCO)Cc1cccnc1 ZINC001230829385 801504338 /nfs/dbraw/zinc/50/43/38/801504338.db2.gz GWBWBHCVMNRZMZ-UHFFFAOYSA-N 0 3 319.449 2.129 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001211054449 801505846 /nfs/dbraw/zinc/50/58/46/801505846.db2.gz OSMSQVRCFNJZLA-DAXOMENPSA-N 0 3 304.438 2.074 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2C)CCCCC1 ZINC001211411087 801562364 /nfs/dbraw/zinc/56/23/64/801562364.db2.gz XDUYFQQHDRASBU-IXDOHACOSA-N 0 3 320.477 2.432 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)COc2ccc(F)c(F)c2)C1 ZINC001211473274 801573068 /nfs/dbraw/zinc/57/30/68/801573068.db2.gz JAMHVPPMRUOSQR-MLGOLLRUSA-N 0 3 324.371 2.356 20 30 DEEDHN C#CCC1(C(=O)N[C@@H]2CN(CCC)C[C@H]2OC)CCCCC1 ZINC001213953329 801658225 /nfs/dbraw/zinc/65/82/25/801658225.db2.gz CKYOYPUCIFINLE-HZPDHXFCSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccc(C)s2)[C@H](OC)C1 ZINC001214000102 801661903 /nfs/dbraw/zinc/66/19/03/801661903.db2.gz USDBJLFONHAQJJ-HZPDHXFCSA-N 0 3 322.474 2.381 20 30 DEEDHN OC[C@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@@H]1O ZINC001231577676 801689581 /nfs/dbraw/zinc/68/95/81/801689581.db2.gz ZJABXBSTXPSSDK-RTWAWAEBSA-N 0 3 321.420 2.262 20 30 DEEDHN OC[C@@H]1CN(Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1O ZINC001231576489 801689848 /nfs/dbraw/zinc/68/98/48/801689848.db2.gz AEXAIFBCQKZOPF-SFTDATJTSA-N 0 3 321.420 2.262 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214529162 801726494 /nfs/dbraw/zinc/72/64/94/801726494.db2.gz NYNZGJDDFICUPL-IEBWSBKVSA-N 0 3 308.425 2.278 20 30 DEEDHN Cc1cc[nH]c1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214541509 801729468 /nfs/dbraw/zinc/72/94/68/801729468.db2.gz CHRHMIDKILTANF-SJLPKXTDSA-N 0 3 321.424 2.425 20 30 DEEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCCC)C1 ZINC001214745205 801756927 /nfs/dbraw/zinc/75/69/27/801756927.db2.gz HLSLJFLCLUMHJV-BZUAXINKSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001215427866 801860084 /nfs/dbraw/zinc/86/00/84/801860084.db2.gz MWMVPRFXRHDWIZ-QLFBSQMISA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(CC)CC)C1 ZINC001215427478 801860689 /nfs/dbraw/zinc/86/06/89/801860689.db2.gz AFTQJFVOCKHXRL-OWCLPIDISA-N 0 3 323.481 2.036 20 30 DEEDHN CN1c2ccccc2[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001232925229 801984880 /nfs/dbraw/zinc/98/48/80/801984880.db2.gz QNLRUMWDBSNOGR-IBGZPJMESA-N 0 3 318.380 2.073 20 30 DEEDHN N#Cc1cc[nH]c1CN1CCN2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001233044665 802012502 /nfs/dbraw/zinc/01/25/02/802012502.db2.gz MXXFJQKQMSHAQT-FUHWJXTLSA-N 0 3 322.412 2.224 20 30 DEEDHN Cc1cc(C#N)ccc1CN1CCC(NC(=O)N(C)C)CC1 ZINC001233083755 802023597 /nfs/dbraw/zinc/02/35/97/802023597.db2.gz ZYYHSSFCUJIHEM-UHFFFAOYSA-N 0 3 300.406 2.102 20 30 DEEDHN N#Cc1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1F ZINC001216797856 802027726 /nfs/dbraw/zinc/02/77/26/802027726.db2.gz GCCURIYSXOQGLB-UHFFFAOYSA-N 0 3 321.315 2.455 20 30 DEEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001216936031 802038880 /nfs/dbraw/zinc/03/88/80/802038880.db2.gz HVBKOGWOHIINPM-VXGBXAGGSA-N 0 3 321.248 2.335 20 30 DEEDHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cccc(N)n1)C2 ZINC001233370295 802095442 /nfs/dbraw/zinc/09/54/42/802095442.db2.gz WKJSUEQDPLRGAW-FUHWJXTLSA-N 0 3 317.433 2.238 20 30 DEEDHN C=CC(C)(C)CC(=O)N1CCO[C@@H]2CN(CCC(=C)C)C[C@@H]21 ZINC001218023582 802132626 /nfs/dbraw/zinc/13/26/26/802132626.db2.gz WFHSKCZWKGZJLM-JKSUJKDBSA-N 0 3 306.450 2.467 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001233655578 802177237 /nfs/dbraw/zinc/17/72/37/802177237.db2.gz ZSCCSAUHLHRZOC-JKSUJKDBSA-N 0 3 324.465 2.443 20 30 DEEDHN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218523319 802197966 /nfs/dbraw/zinc/19/79/66/802197966.db2.gz KTDPEZKJMPKISS-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN CO[C@@H]1CCN(CCOc2ccc(-c3cccc(C#N)c3)nn2)C1 ZINC001233944332 802248122 /nfs/dbraw/zinc/24/81/22/802248122.db2.gz XAVGHIURNAFGPR-MRXNPFEDSA-N 0 3 324.384 2.115 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001233979286 802258365 /nfs/dbraw/zinc/25/83/65/802258365.db2.gz YZMGLIIEHBHIHR-WMZOPIPTSA-N 0 3 306.450 2.347 20 30 DEEDHN C=CCCCN1C[C@H]2OCCN(C(=O)C[C@@H](C)C3CC3)[C@H]2C1 ZINC001219053625 802277516 /nfs/dbraw/zinc/27/75/16/802277516.db2.gz HYLQLKQSBWMGMB-HYVNUMGLSA-N 0 3 306.450 2.300 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(C)s2)[C@@H](O)C1 ZINC001219101173 802280391 /nfs/dbraw/zinc/28/03/91/802280391.db2.gz BIJUYFZNGPJHTH-BNOWGMLFSA-N 0 3 308.447 2.186 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CN([C@H](CC)c2ccccc2)C[C@@H]1O ZINC001219326789 802311567 /nfs/dbraw/zinc/31/15/67/802311567.db2.gz YCKIIVPXNYSNBC-ZACQAIPSSA-N 0 3 302.418 2.265 20 30 DEEDHN CN(C[C@H]1CCN1CCCC1CCOCC1)C(=O)C#CC1CC1 ZINC001234178697 802317591 /nfs/dbraw/zinc/31/75/91/802317591.db2.gz NLPWIGVLKNMEKO-GOSISDBHSA-N 0 3 318.461 2.139 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H](O)C1 ZINC001219471152 802334058 /nfs/dbraw/zinc/33/40/58/802334058.db2.gz VWGMCMHGETVFAD-SJORKVTESA-N 0 3 322.449 2.262 20 30 DEEDHN C#CCOCCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001234254981 802335435 /nfs/dbraw/zinc/33/54/35/802335435.db2.gz GVIOHFIHNMZGKO-KRWDZBQOSA-N 0 3 304.434 2.059 20 30 DEEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC/C=C/CCC ZINC001234266273 802337125 /nfs/dbraw/zinc/33/71/25/802337125.db2.gz OSMAYYHBIWPRHQ-LJFOUZCWSA-N 0 3 306.450 2.304 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001219690056 802365889 /nfs/dbraw/zinc/36/58/89/802365889.db2.gz VPMYBYKOQJGSBM-MSOLQXFVSA-N 0 3 320.477 2.496 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@@H](O)C1 ZINC001219863009 802382758 /nfs/dbraw/zinc/38/27/58/802382758.db2.gz XKSJYHIBZQSLQJ-UAGQMJEPSA-N 0 3 308.466 2.330 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccccc2CCC)[C@@H](O)C1 ZINC001219977940 802396710 /nfs/dbraw/zinc/39/67/10/802396710.db2.gz ZCFKJJAMZLLBML-MSOLQXFVSA-N 0 3 316.445 2.380 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)c2c(F)cc(C)cc2F)[C@@H](O)C1 ZINC001219977882 802396861 /nfs/dbraw/zinc/39/68/61/802396861.db2.gz WPMHXDPSJZOACA-CABCVRRESA-N 0 3 324.371 2.014 20 30 DEEDHN C=CCCCCCN1C[C@@H](NC(=O)C/C=C(\C)C=C)[C@@H](O)C1 ZINC001220172041 802419759 /nfs/dbraw/zinc/41/97/59/802419759.db2.gz JMTZSFCXPTXFHE-GUJBPHSMSA-N 0 3 306.450 2.417 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001220184680 802421325 /nfs/dbraw/zinc/42/13/25/802421325.db2.gz NZYJISRMHCKFMR-MSOLQXFVSA-N 0 3 320.477 2.312 20 30 DEEDHN C=C1CCC(C(=O)N[C@@H]2CN(CC/C=C/CC)C[C@@H]2O)CC1 ZINC001220274998 802436602 /nfs/dbraw/zinc/43/66/02/802436602.db2.gz LCASURCNDVYQOP-FDRQBBGKSA-N 0 3 306.450 2.250 20 30 DEEDHN CCCCCCCN1C[C@@H](NC(=O)Cc2occc2C)[C@@H](O)C1 ZINC001220320956 802444194 /nfs/dbraw/zinc/44/41/94/802444194.db2.gz OTXJCIBRJSVKGN-CVEARBPZSA-N 0 3 322.449 2.262 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@@H](O)C1 ZINC001220420303 802457133 /nfs/dbraw/zinc/45/71/33/802457133.db2.gz UWNBJELDYRFGIX-VQHPVUNQSA-N 0 3 320.477 2.330 20 30 DEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](O)C1 ZINC001220678415 802486696 /nfs/dbraw/zinc/48/66/96/802486696.db2.gz XMFHEDVQRGHCEQ-KFWWJZLASA-N 0 3 312.429 2.175 20 30 DEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](O)C1 ZINC001220761760 802494082 /nfs/dbraw/zinc/49/40/82/802494082.db2.gz BYKSZTTYMVDNRZ-OAGGEKHMSA-N 0 3 314.445 2.422 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC=C)c2ccccc2)[C@@H](O)C1 ZINC001221029108 802522456 /nfs/dbraw/zinc/52/24/56/802522456.db2.gz KSLHHLLJIQIYMK-KSZLIROESA-N 0 3 314.429 2.084 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCCc3ncc(C)o3)[C@@H]2C1 ZINC001221605841 802597563 /nfs/dbraw/zinc/59/75/63/802597563.db2.gz GQWUHZHTBSZXKB-HZPDHXFCSA-N 0 3 317.433 2.415 20 30 DEEDHN C=CCCC(=O)NCC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC001222613371 802716407 /nfs/dbraw/zinc/71/64/07/802716407.db2.gz YMRUMAWDMGAGJP-AWEZNQCLSA-N 0 3 316.392 2.205 20 30 DEEDHN Cc1nsc(C)c1CN1CCC(CNC(=O)[C@@H](C)C#N)CC1 ZINC001222641596 802720444 /nfs/dbraw/zinc/72/04/44/802720444.db2.gz PGIHWJKJCNUMON-NSHDSACASA-N 0 3 320.462 2.248 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(CCOCC)CCC2)CC1 ZINC001223220519 802774087 /nfs/dbraw/zinc/77/40/87/802774087.db2.gz AIHJMLDILCGIIJ-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC001223404639 802787339 /nfs/dbraw/zinc/78/73/39/802787339.db2.gz HRLJDKMWSGWKFL-UHFFFAOYSA-N 0 3 314.404 2.319 20 30 DEEDHN C#CCN1CCC(CNC(=O)CCCC2CCOCC2)CC1 ZINC001223404497 802787483 /nfs/dbraw/zinc/78/74/83/802787483.db2.gz FECKSWYULXYICW-UHFFFAOYSA-N 0 3 306.450 2.045 20 30 DEEDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@H](C#N)c3ccccc3)C[C@H]1N2C ZINC001223710588 802810324 /nfs/dbraw/zinc/81/03/24/802810324.db2.gz CMCJDLCGAOYLLO-QXDIGNSFSA-N 0 3 314.385 2.435 20 30 DEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CCOC)CCC3)C[C@@H]21 ZINC001224015339 802830773 /nfs/dbraw/zinc/83/07/73/802830773.db2.gz AAQFIALKSBFUMS-CVEARBPZSA-N 0 3 306.450 2.302 20 30 DEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC(F)(F)C(F)(F)F)C[C@@H]21 ZINC001224344379 802859574 /nfs/dbraw/zinc/85/95/74/802859574.db2.gz PJQBFDCJXSQRFZ-MNOVXSKESA-N 0 3 324.293 2.130 20 30 DEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cccn1 ZINC001224840439 802909590 /nfs/dbraw/zinc/90/95/90/802909590.db2.gz IOPQUXGQZYJDQL-ZIAGYGMSSA-N 0 3 310.829 2.043 20 30 DEEDHN C#CCN1CCC(CNC(=O)C2(c3ccccc3F)CC2)CC1 ZINC001225068915 802933126 /nfs/dbraw/zinc/93/31/26/802933126.db2.gz AIWXYOTUYFKPOE-UHFFFAOYSA-N 0 3 314.404 2.319 20 30 DEEDHN CC#CCN1CCC(CNC(=O)COCCCCCC)CC1 ZINC001225278594 802950622 /nfs/dbraw/zinc/95/06/22/802950622.db2.gz UCNYDQRGQWEWQI-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN C#Cc1ccccc1CC(=O)NCC1CCN(CC#CC)CC1 ZINC001225292908 802952424 /nfs/dbraw/zinc/95/24/24/802952424.db2.gz XKMSJPYWSBAAFU-UHFFFAOYSA-N 0 3 308.425 2.062 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)CCC ZINC001225307539 802953664 /nfs/dbraw/zinc/95/36/64/802953664.db2.gz KGSLUHMVZSAZEX-ARFHVFGLSA-N 0 3 323.481 2.274 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001225395536 802960673 /nfs/dbraw/zinc/96/06/73/802960673.db2.gz OHTCBNMAFSBJRY-KBAYOESNSA-N 0 3 309.413 2.215 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001225631404 802993854 /nfs/dbraw/zinc/99/38/54/802993854.db2.gz NLTPBRVLEKQBOR-OAHLLOKOSA-N 0 3 316.420 2.466 20 30 DEEDHN C=CCOCC(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001226598251 803129887 /nfs/dbraw/zinc/12/98/87/803129887.db2.gz DFPCEUDZZVHTAQ-UHFFFAOYSA-N 0 3 320.408 2.151 20 30 DEEDHN COc1ccc(CN2CCC(NC(=O)[C@H](C)C#N)CC2)cc1C ZINC001226641296 803136353 /nfs/dbraw/zinc/13/63/53/803136353.db2.gz YDIYSMBRQNIJHS-CQSZACIVSA-N 0 3 315.417 2.244 20 30 DEEDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(C#N)ccc3C)C[C@H]1N2C ZINC001226879026 803171535 /nfs/dbraw/zinc/17/15/35/803171535.db2.gz VBGKLGSNVQJCAQ-CUSZFKRNSA-N 0 3 314.385 2.412 20 30 DEEDHN C=CC(C)(C)CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001227527924 803247854 /nfs/dbraw/zinc/24/78/54/803247854.db2.gz RBGSIJPWLUCUOT-UHFFFAOYSA-N 0 3 304.438 2.066 20 30 DEEDHN CCCCCCC[NH+]1CCC(NC(=O)c2cnc[n-]c2=O)CC1 ZINC001227929651 803296187 /nfs/dbraw/zinc/29/61/87/803296187.db2.gz JDRCRNZLOMGYSQ-UHFFFAOYSA-N 0 3 320.437 2.347 20 30 DEEDHN C=C(Cl)CN1CCC(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001228054988 803313891 /nfs/dbraw/zinc/31/38/91/803313891.db2.gz VFRQPATWGBFIPT-UHFFFAOYSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001228750143 803405942 /nfs/dbraw/zinc/40/59/42/803405942.db2.gz WLUSUDFOCUZNMT-LSDHHAIUSA-N 0 3 318.465 2.001 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCNCc1ccc(F)cc1F ZINC001330768976 1149287152 /nfs/dbraw/zinc/28/71/52/1149287152.db2.gz IYEDMCUSOWNXTM-RYUDHWBXSA-N 0 3 309.360 2.499 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCNCc1ccc(C#N)cc1F ZINC001330771216 1149288711 /nfs/dbraw/zinc/28/87/11/1149288711.db2.gz YXFMNSUHSUWRDB-STQMWFEESA-N 0 3 316.380 2.232 20 30 DEEDHN Cc1ncc(CNCCC[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001330813297 1149304043 /nfs/dbraw/zinc/30/40/43/1149304043.db2.gz QQZFJSFHNGPBAS-CYBMUJFWSA-N 0 3 305.422 2.407 20 30 DEEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](C)NC(=O)c1cscn1 ZINC001368839218 1148704338 /nfs/dbraw/zinc/70/43/38/1148704338.db2.gz FXGAUUMLDLNSFN-UWVGGRQHSA-N 0 3 320.443 2.373 20 30 DEEDHN CC#CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(OC)nc1 ZINC001331535932 1149515200 /nfs/dbraw/zinc/51/52/00/1149515200.db2.gz YZPVGHZCROGFEZ-OAHLLOKOSA-N 0 3 317.433 2.220 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001331602518 1149551707 /nfs/dbraw/zinc/55/17/07/1149551707.db2.gz YUMGGXQRFBDTNA-CQSZACIVSA-N 0 3 310.401 2.150 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)C1CC(C)C1 ZINC001420281605 1169316700 /nfs/dbraw/zinc/31/67/00/1169316700.db2.gz LTSCRYMPBLHVLH-MQYJIDSJSA-N 0 3 303.381 2.338 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)NCCc1nc2ccccc2n1CC ZINC001343407610 1150739926 /nfs/dbraw/zinc/73/99/26/1150739926.db2.gz HBVVVWNEKUNYEY-CQSZACIVSA-N 0 3 314.433 2.399 20 30 DEEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1N1CCCC1=O ZINC001345482412 1150891814 /nfs/dbraw/zinc/89/18/14/1150891814.db2.gz BFJMIHUKBFYAEQ-AWEZNQCLSA-N 0 3 314.389 2.082 20 30 DEEDHN N#CC(C(=O)Cc1coc2c1ccc(F)c2F)C(=O)NC1CC1 ZINC001346239892 1150957242 /nfs/dbraw/zinc/95/72/42/1150957242.db2.gz OJDAOODEGLDDOK-NSHDSACASA-N 0 3 318.279 2.241 20 30 DEEDHN C=CCN1CCN(CCCCCNC(=O)[C@H]2CC23CCC3)CC1 ZINC001328498939 1148802756 /nfs/dbraw/zinc/80/27/56/1148802756.db2.gz BDMRMSXKEZOFJO-QGZVFWFLSA-N 0 3 319.493 2.267 20 30 DEEDHN N#CC(C(=O)C=Cc1nccs1)c1nnc2n1CCCCC2 ZINC001523835419 1069737624 /nfs/dbraw/zinc/73/76/24/1069737624.db2.gz QYZXFXVQZGHNRL-MVIFTORASA-N 0 3 313.386 2.351 20 30 DEEDHN COCCC(=O)N1CCCC[C@H]1CNCC#Cc1ccccc1 ZINC001328588566 1148813368 /nfs/dbraw/zinc/81/33/68/1148813368.db2.gz FVNHXKYWNOFGJB-SFHVURJKSA-N 0 3 314.429 2.045 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC001527461711 1070485137 /nfs/dbraw/zinc/48/51/37/1070485137.db2.gz RSGNIFWNPBPMDW-NVXWUHKLSA-N 0 3 321.465 2.237 20 30 DEEDHN C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)C(F)F ZINC001321770544 1141340145 /nfs/dbraw/zinc/34/01/45/1141340145.db2.gz KGYZQVKCHHDFIB-JTQLQIEISA-N 0 3 300.736 2.051 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001530275287 1071190323 /nfs/dbraw/zinc/19/03/23/1071190323.db2.gz FFFNWOWTZNGRQX-HOTGVXAUSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCC(=O)NC[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001532147245 1071624864 /nfs/dbraw/zinc/62/48/64/1071624864.db2.gz SCMQMKAFOANLOW-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCCN1CCN(C[C@](O)(c2ccccc2)C(C)C)CC1 ZINC001459899540 1058229130 /nfs/dbraw/zinc/22/91/30/1058229130.db2.gz LNQWTGFFJCSCQQ-LJQANCHMSA-N 0 3 300.446 2.171 20 30 DEEDHN Cc1ncsc1CNC[C@H]1CCCN1C(=O)C#CC(C)C ZINC001499892738 1058351527 /nfs/dbraw/zinc/35/15/27/1058351527.db2.gz YIDOWTGQQOJIBG-CQSZACIVSA-N 0 3 305.447 2.192 20 30 DEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC001500003301 1058426329 /nfs/dbraw/zinc/42/63/29/1058426329.db2.gz QXJHNHAQCLUVKP-ZDUSSCGKSA-N 0 3 317.433 2.389 20 30 DEEDHN C#CCN(C(=O)c1cncs1)C1CCN(CC(=C)C)CC1 ZINC001500028459 1058441755 /nfs/dbraw/zinc/44/17/55/1058441755.db2.gz LLCYKFGNZAUUIB-UHFFFAOYSA-N 0 3 303.431 2.259 20 30 DEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](CNCC#N)C1CCCC1 ZINC001500114536 1058499890 /nfs/dbraw/zinc/49/98/90/1058499890.db2.gz IWZHQPBAEYWOBA-DLBZAZTESA-N 0 3 320.481 2.037 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NC[C@@]1(C)CCCN(CC#CC)C1 ZINC001500481532 1058835714 /nfs/dbraw/zinc/83/57/14/1058835714.db2.gz FHRLNZIOOBKOHG-SJLPKXTDSA-N 0 3 306.450 2.209 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001500508599 1058871653 /nfs/dbraw/zinc/87/16/53/1058871653.db2.gz KMRVJFKOERLAOD-VQIMIIECSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCN1CCC[C@](C)(CNC(=O)Cc2cncc(C)c2)C1 ZINC001500512137 1058881173 /nfs/dbraw/zinc/88/11/73/1058881173.db2.gz RJMGGJQVSLNKFA-LJQANCHMSA-N 0 3 313.445 2.174 20 30 DEEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001500546484 1058909470 /nfs/dbraw/zinc/90/94/70/1058909470.db2.gz AZKRJRVNTVSFOG-LPHOPBHVSA-N 0 3 313.445 2.201 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001500613897 1058964626 /nfs/dbraw/zinc/96/46/26/1058964626.db2.gz OJUADRMFUUUWEF-ZFWWWQNUSA-N 0 3 318.408 2.045 20 30 DEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001500715864 1059031593 /nfs/dbraw/zinc/03/15/93/1059031593.db2.gz YLGKCKKXYSKKKX-IBGZPJMESA-N 0 3 320.477 2.332 20 30 DEEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001500724918 1059043348 /nfs/dbraw/zinc/04/33/48/1059043348.db2.gz JUNMCAPSJGHPRV-LJQANCHMSA-N 0 3 314.429 2.091 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2scnc2C(C)C)C1 ZINC001500736758 1059049011 /nfs/dbraw/zinc/04/90/11/1059049011.db2.gz WWTAMZLFGSWGSL-MRXNPFEDSA-N 0 3 323.462 2.009 20 30 DEEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2C[C@@H]2C#N)cc1 ZINC001466171833 1059433692 /nfs/dbraw/zinc/43/36/92/1059433692.db2.gz ZCPKQZCGLWXWQG-DJIMGWMZSA-N 0 3 313.401 2.108 20 30 DEEDHN C#CCCN1CCC[C@@](CO)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001501360029 1059468531 /nfs/dbraw/zinc/46/85/31/1059468531.db2.gz OPNYOGXKLQEKEN-ZHALLVOQSA-N 0 3 320.477 2.169 20 30 DEEDHN COCC#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(F)F)cc1 ZINC001501671554 1059624442 /nfs/dbraw/zinc/62/44/42/1059624442.db2.gz ZOHNJOSXIWOQGV-ZDUSSCGKSA-N 0 3 324.371 2.258 20 30 DEEDHN C=CCCCN1CCN([C@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001502099886 1059929462 /nfs/dbraw/zinc/92/94/62/1059929462.db2.gz RXUWAQOPKHWZAK-DNIVAWAASA-N 0 3 305.466 2.137 20 30 DEEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(CC#CC)CC1)OCC ZINC001502124034 1059965952 /nfs/dbraw/zinc/96/59/52/1059965952.db2.gz JKEBSSPYPOTPIU-IAGOWNOFSA-N 0 3 306.450 2.352 20 30 DEEDHN C[C@H]1CN(C(=O)CC(F)(F)F)C[C@H]1NCC#Cc1ccccc1 ZINC001502702938 1060231249 /nfs/dbraw/zinc/23/12/49/1060231249.db2.gz CLUJVOAIVUDTMG-DZGCQCFKSA-N 0 3 324.346 2.427 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H](CCC)OCC)C(C)(C)C1 ZINC001502831496 1060339002 /nfs/dbraw/zinc/33/90/02/1060339002.db2.gz AYKLYOJNUVICGV-HZPDHXFCSA-N 0 3 308.466 2.432 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCn2cnc3ccccc32)C[C@H]1C ZINC001502954543 1060409510 /nfs/dbraw/zinc/40/95/10/1060409510.db2.gz YQEKAHRTWMFXHF-CVEARBPZSA-N 0 3 324.428 2.029 20 30 DEEDHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001505376759 1060515325 /nfs/dbraw/zinc/51/53/25/1060515325.db2.gz NXEMJYRBXRNKSS-HUUCEWRRSA-N 0 3 312.429 2.034 20 30 DEEDHN C=CCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](C)OC ZINC001505413638 1060549313 /nfs/dbraw/zinc/54/93/13/1060549313.db2.gz KNOFCJAFVXJOPP-MZMPZRCHSA-N 0 3 302.418 2.359 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cn1nc(C)c(Cl)c1C ZINC001505462880 1060636187 /nfs/dbraw/zinc/63/61/87/1060636187.db2.gz UPQQDBDHNIRZSU-AWEZNQCLSA-N 0 3 324.856 2.262 20 30 DEEDHN C=C(C)CCC(=O)NC1CC(CN[C@H](C)c2cnccn2)C1 ZINC001505498653 1060659846 /nfs/dbraw/zinc/65/98/46/1060659846.db2.gz UUITVYRYKJKRNH-WLYUNCDWSA-N 0 3 302.422 2.378 20 30 DEEDHN COc1ccc(F)cc1CN[C@@H](C)[C@@H](C)NC(=O)C#CC(C)C ZINC001505602356 1060764319 /nfs/dbraw/zinc/76/43/19/1060764319.db2.gz IAOZXOOLLHHQJV-UONOGXRCSA-N 0 3 320.408 2.477 20 30 DEEDHN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001505886074 1061090812 /nfs/dbraw/zinc/09/08/12/1061090812.db2.gz DUQPPLTUQJCBHO-ZIAGYGMSSA-N 0 3 310.401 2.331 20 30 DEEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)CCOc1ccccc1 ZINC001505916611 1061129374 /nfs/dbraw/zinc/12/93/74/1061129374.db2.gz OSOVTNJKPAPNPQ-MRXNPFEDSA-N 0 3 302.418 2.161 20 30 DEEDHN O=C(NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC001479323074 1061395476 /nfs/dbraw/zinc/39/54/76/1061395476.db2.gz YWTSMRHDUXVDAJ-FGTMMUONSA-N 0 3 308.425 2.323 20 30 DEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCCOC ZINC001479611155 1061521841 /nfs/dbraw/zinc/52/18/41/1061521841.db2.gz HCISSEGOKCMJOE-HYVNUMGLSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN(CCO)[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001479648432 1061558772 /nfs/dbraw/zinc/55/87/72/1061558772.db2.gz FMUKFFWEALICQQ-KRWDZBQOSA-N 0 3 308.466 2.428 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCc2cc(C)on2)CC(C)(C)C1 ZINC001479746271 1061675351 /nfs/dbraw/zinc/67/53/51/1061675351.db2.gz SDPURUNDNYOVPK-INIZCTEOSA-N 0 3 317.433 2.156 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001479761626 1061699063 /nfs/dbraw/zinc/69/90/63/1061699063.db2.gz NCTOVAJWUNAXJU-MRXNPFEDSA-N 0 3 313.376 2.191 20 30 DEEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccnn1C ZINC001479825688 1061846403 /nfs/dbraw/zinc/84/64/03/1061846403.db2.gz VZMDRDSCUKROEM-DOTOQJQBSA-N 0 3 316.449 2.083 20 30 DEEDHN CC#CCN(CCCNC(=O)c1ccc2n[nH]cc2c1)C1CC1 ZINC001479875298 1061973713 /nfs/dbraw/zinc/97/37/13/1061973713.db2.gz TVJSSWKVTFMCBC-UHFFFAOYSA-N 0 3 310.401 2.171 20 30 DEEDHN C#CCN(CCCNC(=O)c1csc(C2CC2)n1)C1CC1 ZINC001479881062 1061984235 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C#Cc1ccccc1CC(=O)NC[C@H](C)NCc1cncc(C)c1 ZINC001266990144 1078484765 /nfs/dbraw/zinc/48/47/65/1078484765.db2.gz LXJBGFGZFBHZQX-INIZCTEOSA-N 0 3 321.424 2.208 20 30 DEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OCC ZINC001499502352 1067240714 /nfs/dbraw/zinc/24/07/14/1067240714.db2.gz YLWPBUCTWSDLBF-IXDOHACOSA-N 0 3 324.465 2.069 20 30 DEEDHN COc1cc(C(=O)Nc2ccnc([C@H]3CCCN3)n2)ccc1C#N ZINC001579142983 1067241721 /nfs/dbraw/zinc/24/17/21/1067241721.db2.gz PTNVKSPXSHEXNO-CYBMUJFWSA-N 0 3 323.356 2.034 20 30 DEEDHN C=C(Cl)CN(C)C[C@@H](C)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001483402275 1078511073 /nfs/dbraw/zinc/51/10/73/1078511073.db2.gz FRHJREXOYNMOOT-CMPLNLGQSA-N 0 3 324.856 2.337 20 30 DEEDHN N#C[C@]1(NC(=O)c2cccc3c2CNC3)CCc2ccccc2C1 ZINC001580040687 1067479721 /nfs/dbraw/zinc/47/97/21/1067479721.db2.gz NPJARZWTUUGJBX-FQEVSTJZSA-N 0 3 317.392 2.471 20 30 DEEDHN N#CCCCC[C@@H](N)C(=O)N1CCOc2c(F)ccc(F)c21 ZINC001580050435 1067481779 /nfs/dbraw/zinc/48/17/79/1067481779.db2.gz 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/nfs/dbraw/zinc/59/57/06/1078595706.db2.gz LWPCRBUAUGBLKE-HNNXBMFYSA-N 0 3 305.447 2.239 20 30 DEEDHN C=C(Br)CN[C@@H](C)CCNC(=O)[C@@H]1CC12CC2 ZINC001418414287 1078610946 /nfs/dbraw/zinc/61/09/46/1078610946.db2.gz AAMTZXZBKDRYFG-QWRGUYRKSA-N 0 3 301.228 2.180 20 30 DEEDHN C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)c1n[nH]cc1C ZINC001267165324 1078629230 /nfs/dbraw/zinc/62/92/30/1078629230.db2.gz SZUKTYBBDAVFQY-ZDUSSCGKSA-N 0 3 310.829 2.445 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)c1ncoc1C(F)(F)F ZINC001640019809 1078637990 /nfs/dbraw/zinc/63/79/90/1078637990.db2.gz JPFKTKXTHOVHEL-UHFFFAOYSA-N 0 3 305.300 2.273 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001640016528 1078638006 /nfs/dbraw/zinc/63/80/06/1078638006.db2.gz YVLRAUIZOCIYQL-ZDUSSCGKSA-N 0 3 306.454 2.486 20 30 DEEDHN C=CCOCC(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001671625048 1078641888 /nfs/dbraw/zinc/64/18/88/1078641888.db2.gz GCMOZJZZMUMSSV-SFHVURJKSA-N 0 3 320.408 2.439 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001570710654 1068083793 /nfs/dbraw/zinc/08/37/93/1068083793.db2.gz MRKXBTROZJDZFM-KBAYOESNSA-N 0 3 316.445 2.429 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)CCc1cccc(OC)c1F ZINC001570714543 1068089716 /nfs/dbraw/zinc/08/97/16/1068089716.db2.gz QRGJQJQCLWAVEN-CYBMUJFWSA-N 0 3 308.397 2.389 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@]2(CCN(C(=O)C#CC(C)C)C2)C1 ZINC001570884245 1068146970 /nfs/dbraw/zinc/14/69/70/1068146970.db2.gz HKILWYRAOIXUHD-PKOBYXMFSA-N 0 3 318.461 2.304 20 30 DEEDHN C#CCCN(C)CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001267207635 1078665703 /nfs/dbraw/zinc/66/57/03/1078665703.db2.gz MNILZHLISFOTTQ-HNNXBMFYSA-N 0 3 304.821 2.441 20 30 DEEDHN C#CCN(C)CCOCCNC(=O)c1cccc2ccccc21 ZINC001571345479 1068238283 /nfs/dbraw/zinc/23/82/83/1068238283.db2.gz QMCHSKINBFGFQC-UHFFFAOYSA-N 0 3 310.397 2.151 20 30 DEEDHN C#CCCCC(=O)N(C)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001571384879 1068266553 /nfs/dbraw/zinc/26/65/53/1068266553.db2.gz XMGNTUDKCKYOEL-AWEZNQCLSA-N 0 3 315.392 2.437 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)N[C@H]1CCCc2ccccc21 ZINC001571431579 1068290658 /nfs/dbraw/zinc/29/06/58/1068290658.db2.gz YGEIKGRYTQMTMD-AEFFLSMTSA-N 0 3 316.445 2.487 20 30 DEEDHN COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC(C2CC2)C2CC2)C1 ZINC001571492335 1068348869 /nfs/dbraw/zinc/34/88/69/1068348869.db2.gz CFZVQNUMOIAJBV-RHSMWYFYSA-N 0 3 318.461 2.042 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)COc2ccccc2Cl)C1 ZINC001571492594 1068348976 /nfs/dbraw/zinc/34/89/76/1068348976.db2.gz GQKUBPNUMCDBTA-KBPBESRZSA-N 0 3 320.820 2.321 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(COC)cc2)C1 ZINC001571492651 1068349441 /nfs/dbraw/zinc/34/94/41/1068349441.db2.gz HGOQGKNRFGVJFS-RHSMWYFYSA-N 0 3 300.402 2.049 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2cccc(F)c2F)C1 ZINC001571494894 1068350412 /nfs/dbraw/zinc/35/04/12/1068350412.db2.gz JYUAYZJVVOCUNU-DZGCQCFKSA-N 0 3 320.383 2.500 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2csc(C3CC3)n2)C1 ZINC001571493165 1068350819 /nfs/dbraw/zinc/35/08/19/1068350819.db2.gz NECITUQLLGXFEN-YPMHNXCESA-N 0 3 303.431 2.236 20 30 DEEDHN C=C(C)CN(C)CCN(C(=O)c1ccc2nncn2c1)C(C)C ZINC001571615434 1068442025 /nfs/dbraw/zinc/44/20/25/1068442025.db2.gz RNOGBFCLTDQRQX-UHFFFAOYSA-N 0 3 315.421 2.088 20 30 DEEDHN C#CCCN(CCNC(=O)C1CCCCCCC1)CCOC ZINC001571640677 1068455285 /nfs/dbraw/zinc/45/52/85/1068455285.db2.gz COPVOWIIGIWIMG-UHFFFAOYSA-N 0 3 308.466 2.435 20 30 DEEDHN COCC#CCN1CCC(C2(NC(=O)[C@@H](C)C(C)C)CC2)CC1 ZINC001571669989 1068471411 /nfs/dbraw/zinc/47/14/11/1068471411.db2.gz VHFPPHUWQRIACD-INIZCTEOSA-N 0 3 320.477 2.289 20 30 DEEDHN C=CCCC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001571925681 1068577630 /nfs/dbraw/zinc/57/76/30/1068577630.db2.gz HOPSRPJNTCULKW-JKSUJKDBSA-N 0 3 323.481 2.180 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001267299651 1078746218 /nfs/dbraw/zinc/74/62/18/1078746218.db2.gz ZYXJGYFSAAGGHB-OAHLLOKOSA-N 0 3 310.397 2.437 20 30 DEEDHN C=C(C)CCC(=O)N[C@H](C)C1CN(C(=O)C(C)(C)N(C)CC)C1 ZINC001571948669 1068591599 /nfs/dbraw/zinc/59/15/99/1068591599.db2.gz HTTJIGVDVYYUIO-CQSZACIVSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN(CCC)CCNC(=O)c1ccnc(-c2ccco2)c1 ZINC001267314706 1078759748 /nfs/dbraw/zinc/75/97/48/1078759748.db2.gz APBSFSBPGASEKN-UHFFFAOYSA-N 0 3 311.385 2.417 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC001483660232 1078761730 /nfs/dbraw/zinc/76/17/30/1078761730.db2.gz QVAUAOOPGOKFOC-KBPBESRZSA-N 0 3 304.438 2.141 20 30 DEEDHN C=CCN(CCNC(=O)c1cnoc1-c1ccco1)C1CC1 ZINC001267328155 1078768650 /nfs/dbraw/zinc/76/86/50/1078768650.db2.gz MJDQOHQYKZHPOG-UHFFFAOYSA-N 0 3 301.346 2.315 20 30 DEEDHN COc1cc(Cl)ccc1CNCCN(C)C(=O)[C@@H](C)C#N ZINC001267354909 1078788486 /nfs/dbraw/zinc/78/84/86/1078788486.db2.gz BVXWDLSZEFWPTB-NSHDSACASA-N 0 3 309.797 2.056 20 30 DEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001483681373 1078783719 /nfs/dbraw/zinc/78/37/19/1078783719.db2.gz HMGATKXXLPARAQ-GXTWGEPZSA-N 0 3 302.422 2.446 20 30 DEEDHN N#CCCCC[C@H](N)C(=O)Nc1cncc(C(F)(F)F)c1 ZINC001515342457 1068865325 /nfs/dbraw/zinc/86/53/25/1068865325.db2.gz DLJGYZWKMWRELL-NSHDSACASA-N 0 3 300.284 2.450 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001573091780 1068935969 /nfs/dbraw/zinc/93/59/69/1068935969.db2.gz PENWYEHHMXQSAO-KFWWJZLASA-N 0 3 323.481 2.082 20 30 DEEDHN C=C(C)CCC(=O)N(C)CCNCC(=O)NC1CCCCCC1 ZINC001267380151 1078812302 /nfs/dbraw/zinc/81/23/02/1078812302.db2.gz MDMUBQGQGXHMRM-UHFFFAOYSA-N 0 3 323.481 2.230 20 30 DEEDHN C=CCC1(C(=O)OC[C@H]2CCN2C2CCOCC2)CCOCC1 ZINC001517122195 1068953902 /nfs/dbraw/zinc/95/39/02/1068953902.db2.gz HWTSGOHJFYAGME-MRXNPFEDSA-N 0 3 323.433 2.156 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1ccc(N(CC)CC)cc1 ZINC001480939035 1078816845 /nfs/dbraw/zinc/81/68/45/1078816845.db2.gz IHOJKUQRYZJJJO-UHFFFAOYSA-N 0 3 301.434 2.218 20 30 DEEDHN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](N)C(C)(C)C ZINC001573306901 1068984032 /nfs/dbraw/zinc/98/40/32/1068984032.db2.gz PAXSFCGUWZAZSK-HNNXBMFYSA-N 0 3 310.401 2.495 20 30 DEEDHN Cn1c(CCCC#N)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001519970536 1069085869 /nfs/dbraw/zinc/08/58/69/1069085869.db2.gz MBQUAJYGVXDKNC-UHFFFAOYSA-N 0 3 318.469 2.220 20 30 DEEDHN CCn1ccnc1C(C#N)C(=O)CCCNC(=O)c1ccccc1 ZINC001520035512 1069091022 /nfs/dbraw/zinc/09/10/22/1069091022.db2.gz CMGNOWBODFFIDP-OAHLLOKOSA-N 0 3 324.384 2.289 20 30 DEEDHN CC[C@@H]1C[C@H]1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001267429486 1078845896 /nfs/dbraw/zinc/84/58/96/1078845896.db2.gz DNCADBXANHCTGQ-UKRRQHHQSA-N 0 3 303.381 2.291 20 30 DEEDHN CC#CCNCCN(C)C(=O)c1sc(CC2CC2)nc1C ZINC001267446670 1078856546 /nfs/dbraw/zinc/85/65/46/1078856546.db2.gz WJPMCPUPGATSQC-UHFFFAOYSA-N 0 3 305.447 2.089 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC001645048687 1078874350 /nfs/dbraw/zinc/87/43/50/1078874350.db2.gz GHUFKYRGXBZLEZ-SNVBAGLBSA-N 0 3 314.307 2.217 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001521073839 1069205825 /nfs/dbraw/zinc/20/58/25/1069205825.db2.gz ZVVPXVMKKPWVIA-RVKKMQEKSA-N 0 3 323.481 2.035 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001267455025 1078864056 /nfs/dbraw/zinc/86/40/56/1078864056.db2.gz UNHAQUSTTXBLJI-OAHLLOKOSA-N 0 3 303.406 2.290 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](COC)Cc1ccccc1 ZINC001521674853 1069261802 /nfs/dbraw/zinc/26/18/02/1069261802.db2.gz WXFQYYXOIHXEAW-SJORKVTESA-N 0 3 304.434 2.386 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001574901646 1069291470 /nfs/dbraw/zinc/29/14/70/1069291470.db2.gz PBPNRPJGZMJCGW-OCCSQVGLSA-N 0 3 310.438 2.391 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC1CCCCC1)C(=O)OC ZINC001574903674 1069293304 /nfs/dbraw/zinc/29/33/04/1069293304.db2.gz USEFQDPRSMULQO-CABCVRRESA-N 0 3 310.438 2.298 20 30 DEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(-c2nnco2)cc1 ZINC001574908409 1069294892 /nfs/dbraw/zinc/29/48/92/1069294892.db2.gz MTEZMQBZELTTKE-AWEZNQCLSA-N 0 3 300.362 2.036 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC001522046309 1069298313 /nfs/dbraw/zinc/29/83/13/1069298313.db2.gz VODYRYPSJDXKJB-SJORKVTESA-N 0 3 301.434 2.407 20 30 DEEDHN COCC#CCNCCN(C)C(=O)c1cc2c(cccc2C)o1 ZINC001267476505 1078896790 /nfs/dbraw/zinc/89/67/90/1078896790.db2.gz GAMBFUONDFBHQA-UHFFFAOYSA-N 0 3 314.385 2.053 20 30 DEEDHN CC#CCNC1(CNC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC001483744097 1078981467 /nfs/dbraw/zinc/98/14/67/1078981467.db2.gz NHHAVSUQFUPBOO-PLNGDYQASA-N 0 3 300.377 2.491 20 30 DEEDHN CN1CC[C@@]2(CCN(Cc3cc(C#N)ccc3Cl)C2)C1=O ZINC001272620861 1079017494 /nfs/dbraw/zinc/01/74/94/1079017494.db2.gz BPPKWSJCKDJFSY-INIZCTEOSA-N 0 3 303.793 2.266 20 30 DEEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ccc(CO)o1)CC2 ZINC001272631262 1079022150 /nfs/dbraw/zinc/02/21/50/1079022150.db2.gz HJTQUDDVYOSOHJ-UHFFFAOYSA-N 0 3 318.417 2.163 20 30 DEEDHN C#CCCCCC(=O)N1CC[C@H](CN(C)Cc2cnoc2C)C1 ZINC001267581318 1079076318 /nfs/dbraw/zinc/07/63/18/1079076318.db2.gz NGORTPXSDZFBMC-MRXNPFEDSA-N 0 3 317.433 2.457 20 30 DEEDHN CC(=NO)[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C)C1(C)C ZINC001550416199 1073643193 /nfs/dbraw/zinc/64/31/93/1073643193.db2.gz UGEXIIQLSOBMLL-LJISPDSOSA-N 0 3 307.438 2.194 20 30 DEEDHN C=CCCC(=O)N1CCC[C@H]1CNCc1n[nH]c(C(C)(C)C)n1 ZINC001483922765 1079186300 /nfs/dbraw/zinc/18/63/00/1079186300.db2.gz MVKGQGJJWIBWCL-ZDUSSCGKSA-N 0 3 319.453 2.149 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001481125263 1079222789 /nfs/dbraw/zinc/22/27/89/1079222789.db2.gz BTVNEYSBXIZFMU-IAGOWNOFSA-N 0 3 302.393 2.029 20 30 DEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001481123946 1079223752 /nfs/dbraw/zinc/22/37/52/1079223752.db2.gz MBOCGGNZNNYLIN-LSDHHAIUSA-N 0 3 302.393 2.391 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(COC)cs1 ZINC001481141347 1079249560 /nfs/dbraw/zinc/24/95/60/1079249560.db2.gz PNNYVBFDUXCGAE-UHFFFAOYSA-N 0 3 308.447 2.360 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001646164856 1074355977 /nfs/dbraw/zinc/35/59/77/1074355977.db2.gz QKOPCYAPZSITMP-CABCVRRESA-N 0 3 319.836 2.468 20 30 DEEDHN C[C@H](C#N)C(=O)NCCN(CCc1ccccc1F)C1CC1 ZINC001481163149 1079274498 /nfs/dbraw/zinc/27/44/98/1079274498.db2.gz RFDPLIFOZXAMES-CYBMUJFWSA-N 0 3 303.381 2.108 20 30 DEEDHN Cn1c([C@@H]2CCCN(C)C2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001646676948 1074545225 /nfs/dbraw/zinc/54/52/25/1074545225.db2.gz SWVVYOFDQKNBRT-OAHLLOKOSA-N 0 3 322.416 2.016 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1c(Cl)cnn1CC)C1CC1 ZINC001481171052 1079287507 /nfs/dbraw/zinc/28/75/07/1079287507.db2.gz QMFXAQLTFDEXDN-UHFFFAOYSA-N 0 3 310.829 2.327 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001484074687 1079288345 /nfs/dbraw/zinc/28/83/45/1079288345.db2.gz UAXVCMXWJHDBHR-RFRLJHHNSA-N 0 3 318.461 2.062 20 30 DEEDHN C=CCN(CCNC(=O)[C@H]1COc2ccc(F)cc2C1)C1CC1 ZINC001481177835 1079296732 /nfs/dbraw/zinc/29/67/32/1079296732.db2.gz MACSLKPBNXGKDV-CQSZACIVSA-N 0 3 318.392 2.143 20 30 DEEDHN COCCCCCN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267625755 1079299329 /nfs/dbraw/zinc/29/93/29/1079299329.db2.gz DVTNCQLOXWAVLW-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CCN(CC)C(=O)CCC(=O)C(C#N)c1ncc(F)cc1F ZINC001646920785 1074694729 /nfs/dbraw/zinc/69/47/29/1074694729.db2.gz RVABCVDLTTYRPH-NSHDSACASA-N 0 3 309.316 2.185 20 30 DEEDHN CCC[C@H]1CN(C[C@H](O)CC#N)CCN1Cc1ccccc1 ZINC001647453680 1074932331 /nfs/dbraw/zinc/93/23/31/1074932331.db2.gz XBEPWHCTSGQHLF-ZWKOTPCHSA-N 0 3 301.434 2.247 20 30 DEEDHN C=CCSc1ccccc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001647772867 1074981279 /nfs/dbraw/zinc/98/12/79/1074981279.db2.gz HSSTWFAOGPMDJQ-ZDUSSCGKSA-N 0 3 318.442 2.168 20 30 DEEDHN Cc1ccccc1[C@@H](C)N1CC(CNC(=O)CSCC#N)C1 ZINC001267675013 1079363980 /nfs/dbraw/zinc/36/39/80/1079363980.db2.gz YNUHHFWBLVRONC-CQSZACIVSA-N 0 3 317.458 2.361 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2coc3ccccc23)C1 ZINC001484254681 1079367383 /nfs/dbraw/zinc/36/73/83/1079367383.db2.gz MUEGLEYHECGMRN-GOSISDBHSA-N 0 3 314.385 2.176 20 30 DEEDHN C=CCN1CCC2(CN(C(=O)c3scnc3C(F)F)C2)C1 ZINC001565498576 1075179757 /nfs/dbraw/zinc/17/97/57/1075179757.db2.gz ODMYZVSYJGAJAV-UHFFFAOYSA-N 0 3 313.373 2.415 20 30 DEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001565835390 1075193500 /nfs/dbraw/zinc/19/35/00/1075193500.db2.gz MGJWIOOTXZWQSZ-OAHLLOKOSA-N 0 3 316.449 2.410 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)[C@H]1CC ZINC001566030013 1075217910 /nfs/dbraw/zinc/21/79/10/1075217910.db2.gz YKRWGVIRZHVGSU-YESZJQIVSA-N 0 3 323.481 2.082 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccco2)[C@H]1C ZINC001566106076 1075229935 /nfs/dbraw/zinc/22/99/35/1075229935.db2.gz CHMVMFWOYUHNKT-UXLLHSPISA-N 0 3 320.433 2.240 20 30 DEEDHN C=CCOCCN(C)C[C@@H]1CCCCN1C(=O)c1ccns1 ZINC001566122311 1075231706 /nfs/dbraw/zinc/23/17/06/1075231706.db2.gz SRULHXDXXSFEMM-AWEZNQCLSA-N 0 3 323.462 2.272 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001566453573 1075249075 /nfs/dbraw/zinc/24/90/75/1075249075.db2.gz PJAYDVRWWFPTAK-GJZGRUSLSA-N 0 3 320.408 2.363 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1c(F)ccc2ccncc21 ZINC001566456986 1075249369 /nfs/dbraw/zinc/24/93/69/1075249369.db2.gz OTQQLGTYAANSGQ-UHFFFAOYSA-N 0 3 313.376 2.449 20 30 DEEDHN CC#CCN(C)CCCNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001566468961 1075252514 /nfs/dbraw/zinc/25/25/14/1075252514.db2.gz PLFQSXGVBGCMBF-SFHVURJKSA-N 0 3 314.429 2.266 20 30 DEEDHN C#CCN(CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1)C1CC1 ZINC001566602979 1075295291 /nfs/dbraw/zinc/29/52/91/1075295291.db2.gz VLCOHPPQUQDQCB-MRXNPFEDSA-N 0 3 314.429 2.366 20 30 DEEDHN CC/C=C\CCN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001566619762 1075298438 /nfs/dbraw/zinc/29/84/38/1075298438.db2.gz VELPQDADJKRNKO-JZIMQPMSSA-N 0 3 300.406 2.437 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001566640487 1075303412 /nfs/dbraw/zinc/30/34/12/1075303412.db2.gz HEXYVAOBEAXWLQ-OKZBNKHCSA-N 0 3 319.493 2.123 20 30 DEEDHN C#CCCN1CC[C@@H](NC(=O)CCCOc2ccc(F)cc2)C1 ZINC001566670891 1075311746 /nfs/dbraw/zinc/31/17/46/1075311746.db2.gz HAFPXMWVAACPKG-MRXNPFEDSA-N 0 3 318.392 2.199 20 30 DEEDHN C=CCCn1cc(C(=O)N[C@@H]2CCN(CC/C=C/CC)C2)nn1 ZINC001566674723 1075314216 /nfs/dbraw/zinc/31/42/16/1075314216.db2.gz ACWSOOLAOCMNDU-KEDPEKRHSA-N 0 3 317.437 2.015 20 30 DEEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001566697662 1075320337 /nfs/dbraw/zinc/32/03/37/1075320337.db2.gz IZGUUWASACXSBX-UHFFFAOYSA-N 0 3 318.421 2.075 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2cnc(C)cn2)CC1 ZINC001566696724 1075320380 /nfs/dbraw/zinc/32/03/80/1075320380.db2.gz ZTSOKUYNNCNPJR-UHFFFAOYSA-N 0 3 314.433 2.125 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cn1 ZINC001566752869 1075335996 /nfs/dbraw/zinc/33/59/96/1075335996.db2.gz QUZXPTCOEMZGTN-CALCHBBNSA-N 0 3 317.408 2.405 20 30 DEEDHN Cc1[nH]ccc1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001566835162 1075357546 /nfs/dbraw/zinc/35/75/46/1075357546.db2.gz XYCXPOYVSQMRDW-CALCHBBNSA-N 0 3 307.397 2.225 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2ccccc2)C1 ZINC001566839744 1075358686 /nfs/dbraw/zinc/35/86/86/1075358686.db2.gz ICOMNONZRUYUQL-IYBDPMFKSA-N 0 3 315.417 2.218 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001566854149 1075362799 /nfs/dbraw/zinc/36/27/99/1075362799.db2.gz DRZBOMFIBBGVGJ-ZSYWTGECSA-N 0 3 308.425 2.321 20 30 DEEDHN CC#CCN1CCC[C@@H](CNC(=O)Cc2ccsc2C)C1 ZINC001566879076 1075372376 /nfs/dbraw/zinc/37/23/76/1075372376.db2.gz YFWDCDLOBULWDV-HNNXBMFYSA-N 0 3 304.459 2.451 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)COc1ccc(F)cc1 ZINC001566930120 1075391206 /nfs/dbraw/zinc/39/12/06/1075391206.db2.gz QNGOYKYHWAKNNM-MRXNPFEDSA-N 0 3 318.392 2.199 20 30 DEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCc2scnc2C)C1 ZINC001566964682 1075402064 /nfs/dbraw/zinc/40/20/64/1075402064.db2.gz BASCPNFAHAMJJW-ZFWWWQNUSA-N 0 3 319.474 2.234 20 30 DEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)COCC2CCCC2)C1 ZINC001566963593 1075402105 /nfs/dbraw/zinc/40/21/05/1075402105.db2.gz WOYCEFCNQZLXRR-WBVHZDCISA-N 0 3 306.450 2.043 20 30 DEEDHN Cc1cc(C)c(CN(C)CCNC(=O)CSCC#N)c(C)c1 ZINC001567270997 1075482526 /nfs/dbraw/zinc/48/25/26/1075482526.db2.gz NDMINKOYWKUEMU-UHFFFAOYSA-N 0 3 319.474 2.417 20 30 DEEDHN C=CCOCC(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001567274112 1075484212 /nfs/dbraw/zinc/48/42/12/1075484212.db2.gz VASJOZJDLFUURK-QGZVFWFLSA-N 0 3 320.408 2.454 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)Cc2cccs2)C1 ZINC001267756087 1079457660 /nfs/dbraw/zinc/45/76/60/1079457660.db2.gz XJCNDBHUFICJPN-CQSZACIVSA-N 0 3 308.447 2.026 20 30 DEEDHN C=CCOCC(=O)N(C)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001267759618 1079460476 /nfs/dbraw/zinc/46/04/76/1079460476.db2.gz PSURRIJSVPVQGA-MRXNPFEDSA-N 0 3 322.474 2.416 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001267773302 1079482545 /nfs/dbraw/zinc/48/25/45/1079482545.db2.gz LHPZLJWZPSVEHF-YESZJQIVSA-N 0 3 306.450 2.158 20 30 DEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CC(=C)C)C2)CCOCC1 ZINC001267776372 1079487946 /nfs/dbraw/zinc/48/79/46/1079487946.db2.gz JYEGZXHPQPYLFI-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001267778440 1079489263 /nfs/dbraw/zinc/48/92/63/1079489263.db2.gz AXHVZGWPMPWSCQ-HNNXBMFYSA-N 0 3 320.408 2.483 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)CCCC(F)(F)F)C1 ZINC001267773533 1079483313 /nfs/dbraw/zinc/48/33/13/1079483313.db2.gz NRSIFOFJYYHHMX-CYBMUJFWSA-N 0 3 322.371 2.454 20 30 DEEDHN CC[C@H](CNC(=O)CSCC#N)NCC=C(Cl)Cl ZINC001267796185 1079501099 /nfs/dbraw/zinc/50/10/99/1079501099.db2.gz KUZCXGWMPJWDGO-SECBINFHSA-N 0 3 310.250 2.047 20 30 DEEDHN C=C(CCC(=O)OC)C(=O)N(CCN(C)C)c1ccccc1 ZINC001583847527 1076277537 /nfs/dbraw/zinc/27/75/37/1076277537.db2.gz BUSKMXYFPBWVCY-UHFFFAOYSA-N 0 3 304.390 2.091 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@](C)(NC(=O)CN(C)C(C)C)C1 ZINC001585870552 1076375563 /nfs/dbraw/zinc/37/55/63/1076375563.db2.gz MIJBCEGADHRRMV-YJBOKZPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCSCC[NH2+][C@H](CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588364139 1076443155 /nfs/dbraw/zinc/44/31/55/1076443155.db2.gz WDRLJTRXMVFOPF-CQSZACIVSA-N 0 3 301.419 2.274 20 30 DEEDHN C#CCSCC[NH2+][C@H](CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588364139 1076443158 /nfs/dbraw/zinc/44/31/58/1076443158.db2.gz WDRLJTRXMVFOPF-CQSZACIVSA-N 0 3 301.419 2.274 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400659 1076446712 /nfs/dbraw/zinc/44/67/12/1076446712.db2.gz DANQSNAHRJYQMB-KCXAZCMYSA-N 0 3 313.405 2.499 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400659 1076446713 /nfs/dbraw/zinc/44/67/13/1076446713.db2.gz DANQSNAHRJYQMB-KCXAZCMYSA-N 0 3 313.405 2.499 20 30 DEEDHN C=CC[C@@H]1CC[C@@H]([NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588561156 1076455158 /nfs/dbraw/zinc/45/51/58/1076455158.db2.gz YGMFGNCASNHIIP-TZMCWYRMSA-N 0 3 313.409 2.008 20 30 DEEDHN C=CC[C@@H]1CC[C@@H]([NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588561156 1076455161 /nfs/dbraw/zinc/45/51/61/1076455161.db2.gz YGMFGNCASNHIIP-TZMCWYRMSA-N 0 3 313.409 2.008 20 30 DEEDHN C=CCC[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588609316 1076457349 /nfs/dbraw/zinc/45/73/49/1076457349.db2.gz MDBPBQXZVHRJTA-UHFFFAOYSA-N 0 3 317.368 2.425 20 30 DEEDHN C=CCC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588609316 1076457351 /nfs/dbraw/zinc/45/73/51/1076457351.db2.gz MDBPBQXZVHRJTA-UHFFFAOYSA-N 0 3 317.368 2.425 20 30 DEEDHN C[C@@H](Nc1c(C#N)cccc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC001589978225 1076541483 /nfs/dbraw/zinc/54/14/83/1076541483.db2.gz JJEXUXLWUXELNA-LLVKDONJSA-N 0 3 313.409 2.127 20 30 DEEDHN C[C@@H](Nc1c(C#N)cccc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC001589978225 1076541487 /nfs/dbraw/zinc/54/14/87/1076541487.db2.gz JJEXUXLWUXELNA-LLVKDONJSA-N 0 3 313.409 2.127 20 30 DEEDHN C[C@@H](CCC#N)[N@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001609110038 1077763942 /nfs/dbraw/zinc/76/39/42/1077763942.db2.gz IABMUJJNXCPYGR-ZDUSSCGKSA-N 0 3 314.393 2.007 20 30 DEEDHN C[C@@H](CCC#N)[N@@H+](C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001609110038 1077763945 /nfs/dbraw/zinc/76/39/45/1077763945.db2.gz IABMUJJNXCPYGR-ZDUSSCGKSA-N 0 3 314.393 2.007 20 30 DEEDHN C#CCCCC(=O)N[C@](C)(CNCc1c(C)noc1C)C1CC1 ZINC001267852350 1079540236 /nfs/dbraw/zinc/54/02/36/1079540236.db2.gz CEDIJJBHGUJRBY-GOSISDBHSA-N 0 3 317.433 2.469 20 30 DEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC(C)(C)C(F)(F)F)C[C@@H]2C1 ZINC001484414569 1079600441 /nfs/dbraw/zinc/60/04/41/1079600441.db2.gz SCGLBUJIKGPTCU-BETUJISGSA-N 0 3 316.367 2.379 20 30 DEEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2cnn(CC)n2)C1 ZINC001267931227 1079612633 /nfs/dbraw/zinc/61/26/33/1079612633.db2.gz NMAWNQDBGIOASI-OAHLLOKOSA-N 0 3 321.469 2.463 20 30 DEEDHN N#CC(C(=O)C[C@H]1CCC(=O)NC1)c1ccc2ccccc2n1 ZINC001650431358 1079617601 /nfs/dbraw/zinc/61/76/01/1079617601.db2.gz PCDJXEOLUIQSIN-OCCSQVGLSA-N 0 3 307.353 2.327 20 30 DEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCOc1ccccc1 ZINC001484462742 1079620689 /nfs/dbraw/zinc/62/06/89/1079620689.db2.gz DMFSWHOHCFOTKZ-ROUUACIJSA-N 0 3 312.413 2.154 20 30 DEEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CO[C@H](C)C1 ZINC001484553185 1079657591 /nfs/dbraw/zinc/65/75/91/1079657591.db2.gz AOKMFSRINNZIGG-PBHICJAKSA-N 0 3 302.418 2.346 20 30 DEEDHN CC#CCNC1(CNC(=O)c2cccc(COC)c2)CCC1 ZINC001484643439 1079701827 /nfs/dbraw/zinc/70/18/27/1079701827.db2.gz SHXSYPICMUMNGB-UHFFFAOYSA-N 0 3 300.402 2.098 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(NCC(=O)NC(C)(C)C)CCC1 ZINC001484647102 1079703520 /nfs/dbraw/zinc/70/35/20/1079703520.db2.gz DYTIIYDKBLYBRQ-AWEZNQCLSA-N 0 3 323.481 2.132 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@H]2CCC[C@H](C)C2)CCC1 ZINC001484649982 1079707685 /nfs/dbraw/zinc/70/76/85/1079707685.db2.gz XRUHWMLLDGEPCV-HOTGVXAUSA-N 0 3 306.450 2.091 20 30 DEEDHN C=CCC1(C(=O)N(C)CCNCc2ccnn2C)CCCCC1 ZINC001481318889 1079714928 /nfs/dbraw/zinc/71/49/28/1079714928.db2.gz MJIUEDLYNPCFAW-UHFFFAOYSA-N 0 3 318.465 2.495 20 30 DEEDHN CC#CCNC1(CNC(=O)C[C@H]2CCC3(CCC3)CO2)CCC1 ZINC001484659659 1079714938 /nfs/dbraw/zinc/71/49/38/1079714938.db2.gz PCTCFEDSSFNBET-MRXNPFEDSA-N 0 3 318.461 2.378 20 30 DEEDHN CC#CCN1CCC[C@@H](NC(=O)COc2ccc(C)cc2)CC1 ZINC001484725721 1079749439 /nfs/dbraw/zinc/74/94/39/1079749439.db2.gz DSGTTYZOQNYQFM-QGZVFWFLSA-N 0 3 314.429 2.368 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)C1CC(OC)C1)c1ccccc1 ZINC001481364854 1079758978 /nfs/dbraw/zinc/75/89/78/1079758978.db2.gz HCTUAKJWDWSPCD-OFLPRAFFSA-N 0 3 302.418 2.435 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1cnn(CC)c1C)c1ccccc1 ZINC001481372785 1079763432 /nfs/dbraw/zinc/76/34/32/1079763432.db2.gz LBCWMZKUWBVMNZ-SFHVURJKSA-N 0 3 324.428 2.295 20 30 DEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CSC)C2 ZINC001484824053 1079817363 /nfs/dbraw/zinc/81/73/63/1079817363.db2.gz KBUZVPCVEZBFPN-DOTOQJQBSA-N 0 3 308.491 2.323 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)COc2ccc(C)cc2)C[C@@H]1C ZINC001484985752 1079898205 /nfs/dbraw/zinc/89/82/05/1079898205.db2.gz KLQMOFSPHJKFGJ-DLBZAZTESA-N 0 3 314.429 2.366 20 30 DEEDHN Cc1ccc([C@@H](C)NCc2cc(=O)n3ncc(C#N)c3[nH]2)cc1 ZINC001653077871 1079912310 /nfs/dbraw/zinc/91/23/10/1079912310.db2.gz JIRIJWDFFRWSGA-GFCCVEGCSA-N 0 3 307.357 2.466 20 30 DEEDHN C=CCOCCN1CC2(C1)CCN(C(=O)c1ccc(C)o1)CC2 ZINC001268042358 1079913763 /nfs/dbraw/zinc/91/37/63/1079913763.db2.gz PVZYRNVGSDQKDV-UHFFFAOYSA-N 0 3 318.417 2.329 20 30 DEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)C(F)(F)F ZINC001672531523 1079949932 /nfs/dbraw/zinc/94/99/32/1079949932.db2.gz WHPPGPQTLNTNKK-YNEHKIRRSA-N 0 3 302.340 2.273 20 30 DEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC001654318357 1079961014 /nfs/dbraw/zinc/96/10/14/1079961014.db2.gz RNXOQNKGTUTBHB-QGZVFWFLSA-N 0 3 320.433 2.349 20 30 DEEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C)n1 ZINC001656109065 1080046232 /nfs/dbraw/zinc/04/62/32/1080046232.db2.gz DNEMBRRWNGIZJD-OAHLLOKOSA-N 0 3 304.438 2.313 20 30 DEEDHN CC(C)C#CC(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001656132214 1080053218 /nfs/dbraw/zinc/05/32/18/1080053218.db2.gz HHQQRBYDQQGUIP-TXEJJXNPSA-N 0 3 303.233 2.449 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2cc(OC)ccn2)C1 ZINC001656216136 1080066984 /nfs/dbraw/zinc/06/69/84/1080066984.db2.gz HQKLXOJLCOFLBM-HDJSIYSDSA-N 0 3 317.433 2.287 20 30 DEEDHN COCC#CCNC[C@H](C)N(C)C(=O)[C@H](C)c1ccccc1C ZINC001268100453 1080072601 /nfs/dbraw/zinc/07/26/01/1080072601.db2.gz WUXSGGBJVHPYPC-DLBZAZTESA-N 0 3 316.445 2.185 20 30 DEEDHN C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC2CCCC2)n1 ZINC001656634705 1080108682 /nfs/dbraw/zinc/10/86/82/1080108682.db2.gz FTDPETHPOBCYHU-UHFFFAOYSA-N 0 3 318.421 2.044 20 30 DEEDHN C[C@H](CNC(=O)CSCC#N)N(C)C/C=C\c1ccccc1 ZINC001485275938 1080116555 /nfs/dbraw/zinc/11/65/55/1080116555.db2.gz IQUAWCZGIHPUKD-WUKHSURWSA-N 0 3 317.458 2.393 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)[C@H]1CC ZINC001656752590 1080120191 /nfs/dbraw/zinc/12/01/91/1080120191.db2.gz KWZMKYFHUMDFNG-QLFBSQMISA-N 0 3 323.481 2.082 20 30 DEEDHN CO[C@H](C)CCC(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001485293856 1080123164 /nfs/dbraw/zinc/12/31/64/1080123164.db2.gz RYKMEBAOZQJIIS-LSDHHAIUSA-N 0 3 317.433 2.310 20 30 DEEDHN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)N(C)Cc1ccc(OCC#N)cc1 ZINC001485339854 1080152879 /nfs/dbraw/zinc/15/28/79/1080152879.db2.gz LAYGARXXHIZVIG-ZQIUZPCESA-N 0 3 315.417 2.181 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1n1cccn1 ZINC001268238780 1080220886 /nfs/dbraw/zinc/22/08/86/1080220886.db2.gz KYHPZTTZMNWVGE-SJORKVTESA-N 0 3 316.449 2.028 20 30 DEEDHN C=C[C@@H](CC(=O)N(C)CCN(C)C[C@@H](C)O)c1ccccc1 ZINC001268260754 1080238916 /nfs/dbraw/zinc/23/89/16/1080238916.db2.gz YVSQDGPQXQDVBJ-CVEARBPZSA-N 0 3 304.434 2.117 20 30 DEEDHN COCC#CCN1CC[C@H]2CN(C(=O)CCCC3CC3)CC[C@@H]21 ZINC001268264858 1080242855 /nfs/dbraw/zinc/24/28/55/1080242855.db2.gz HMIOUSLHJDYEPF-ROUUACIJSA-N 0 3 318.461 2.139 20 30 DEEDHN C=CCCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccnn2C)C1 ZINC001268270611 1080250920 /nfs/dbraw/zinc/25/09/20/1080250920.db2.gz YFKHSBNAEWXIHB-RDJZCZTQSA-N 0 3 316.449 2.199 20 30 DEEDHN CC(C)C#CC(=O)N[C@H]1CCC[C@@H]1CNCc1cscn1 ZINC001268279489 1080259788 /nfs/dbraw/zinc/25/97/88/1080259788.db2.gz XEAMPXNQNWTQEZ-HIFRSBDPSA-N 0 3 305.447 2.177 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(CCc2ccnn2C)C1 ZINC001485521308 1080278756 /nfs/dbraw/zinc/27/87/56/1080278756.db2.gz BOUNSZJMDKHXDC-KBXCAEBGSA-N 0 3 318.465 2.001 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1cc(C)c(Cl)cn1 ZINC001660190576 1080283767 /nfs/dbraw/zinc/28/37/67/1080283767.db2.gz PTARRNKYBINQOC-UHFFFAOYSA-N 0 3 307.825 2.047 20 30 DEEDHN COCC#CCN(C)CCCNC(=O)c1c(C)cccc1Cl ZINC001660290582 1080303006 /nfs/dbraw/zinc/30/30/06/1080303006.db2.gz DYDQDIJPXHTCPG-UHFFFAOYSA-N 0 3 322.836 2.350 20 30 DEEDHN C=C[C@](C)(O)CC(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC001485564728 1080308302 /nfs/dbraw/zinc/30/83/02/1080308302.db2.gz QBYYJXOBJRXYPZ-LPHOPBHVSA-N 0 3 316.445 2.340 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC)Oc2cccc(C)c2)C1 ZINC001481693687 1080309442 /nfs/dbraw/zinc/30/94/42/1080309442.db2.gz JEVHWHPAYJXCMG-WMZOPIPTSA-N 0 3 314.429 2.366 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=O)N(CC)CC ZINC001660431349 1080330086 /nfs/dbraw/zinc/33/00/86/1080330086.db2.gz ASHMPTGHCFRHMG-CVEARBPZSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCN1CC[C@]2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001272700508 1080349125 /nfs/dbraw/zinc/34/91/25/1080349125.db2.gz YMVOLXVLZNKHQK-SFHVURJKSA-N 0 3 313.376 2.308 20 30 DEEDHN Cc1nc(C(=O)N[C@@H](C)CCNCc2ccccc2C#N)co1 ZINC001268355997 1080363669 /nfs/dbraw/zinc/36/36/69/1080363669.db2.gz KHUAVDPGUFAQOI-LBPRGKRZSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Br)CNC[C@H]1C[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001485693761 1080378527 /nfs/dbraw/zinc/37/85/27/1080378527.db2.gz MXMHHJMXOJRMNY-DCAQKATOSA-N 0 3 307.207 2.128 20 30 DEEDHN C#CCN(CCCNC(=O)c1cc(C)n([C@@H](C)CC)n1)C1CC1 ZINC001660699407 1080380844 /nfs/dbraw/zinc/38/08/44/1080380844.db2.gz CJQQHGGOUSZANA-AWEZNQCLSA-N 0 3 316.449 2.380 20 30 DEEDHN CCc1nc(C)c(CNCCC[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001485722787 1080391373 /nfs/dbraw/zinc/39/13/73/1080391373.db2.gz QHCDYLKTRURQCQ-ZDUSSCGKSA-N 0 3 317.433 2.333 20 30 DEEDHN C=C(Br)CNCCC[C@H](C)NC(=O)c1cc[nH]c1 ZINC001485725614 1080392987 /nfs/dbraw/zinc/39/29/87/1080392987.db2.gz VHXLLXNDQBYUQM-NSHDSACASA-N 0 3 314.227 2.411 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001660771921 1080395192 /nfs/dbraw/zinc/39/51/92/1080395192.db2.gz DVBGIJYRFVJTNQ-AWEZNQCLSA-N 0 3 320.458 2.209 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001481731999 1080399844 /nfs/dbraw/zinc/39/98/44/1080399844.db2.gz DWIZXCPISWTYTP-CJNGLKHVSA-N 0 3 316.449 2.076 20 30 DEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001481733307 1080404333 /nfs/dbraw/zinc/40/43/33/1080404333.db2.gz GJGBHHPJXNSPLE-MRXNPFEDSA-N 0 3 317.433 2.047 20 30 DEEDHN C=CCCC(=O)N1CCC(N(C)CC(=O)N[C@H](C)CCC)CC1 ZINC001485754668 1080408538 /nfs/dbraw/zinc/40/85/38/1080408538.db2.gz MAGPIXYBYFIRAX-OAHLLOKOSA-N 0 3 323.481 2.180 20 30 DEEDHN C=CCCN1CCN(CCCNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001660888041 1080412287 /nfs/dbraw/zinc/41/22/87/1080412287.db2.gz XCJXIYIGJDRALY-INIZCTEOSA-N 0 3 309.498 2.369 20 30 DEEDHN C=CCC1(C(=O)N[C@@H](C)CCNCc2nccn2C)CCC1 ZINC001268396276 1080420265 /nfs/dbraw/zinc/42/02/65/1080420265.db2.gz HWXVTWVJIKXGIU-AWEZNQCLSA-N 0 3 304.438 2.151 20 30 DEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001481740911 1080420463 /nfs/dbraw/zinc/42/04/63/1080420463.db2.gz VCQCMDPWXWLACR-LBPRGKRZSA-N 0 3 311.813 2.017 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2ncoc2C)CC1 ZINC001661082890 1080440317 /nfs/dbraw/zinc/44/03/17/1080440317.db2.gz IHTCODQDPZFCMO-UHFFFAOYSA-N 0 3 303.406 2.323 20 30 DEEDHN C#CCCN1CCC(N(CCC)C(=O)c2cn(CC)cn2)CC1 ZINC001661097426 1080441324 /nfs/dbraw/zinc/44/13/24/1080441324.db2.gz NWCFVDHPAMEVPK-UHFFFAOYSA-N 0 3 316.449 2.243 20 30 DEEDHN Cc1c[nH]cc1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001268422774 1080455760 /nfs/dbraw/zinc/45/57/60/1080455760.db2.gz HWMZGJZIEMEOIW-CQSZACIVSA-N 0 3 310.401 2.493 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](NCc2cc(OC)ns2)C1 ZINC001661585161 1080496343 /nfs/dbraw/zinc/49/63/43/1080496343.db2.gz AWOAYIXIFXGYJX-BETUJISGSA-N 0 3 321.446 2.082 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)C2(CCOCC)CCC2)C1 ZINC001661719712 1080511767 /nfs/dbraw/zinc/51/17/67/1080511767.db2.gz UYWQMUXBZHYVQH-INIZCTEOSA-N 0 3 306.450 2.045 20 30 DEEDHN C[C@H](O)CCCN1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001661866540 1080535810 /nfs/dbraw/zinc/53/58/10/1080535810.db2.gz PSDDUBQDKNGLAP-HOTGVXAUSA-N 0 3 308.466 2.168 20 30 DEEDHN C#CCN1CCCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1CC ZINC001661866518 1080536525 /nfs/dbraw/zinc/53/65/25/1080536525.db2.gz PHEHLTTTXQFMFQ-HOTGVXAUSA-N 0 3 316.449 2.001 20 30 DEEDHN C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)N(C)C ZINC001661950411 1080548942 /nfs/dbraw/zinc/54/89/42/1080548942.db2.gz PRKNUBRXQPOFSX-HUUCEWRRSA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(CCOC)CCCC2)C1 ZINC001662017647 1080562127 /nfs/dbraw/zinc/56/21/27/1080562127.db2.gz BQWRUFBQWGDHAF-IAGOWNOFSA-N 0 3 320.477 2.433 20 30 DEEDHN C=CCCC(=O)NC1(CNCc2nccnc2C)CCCC1 ZINC001481892581 1080581130 /nfs/dbraw/zinc/58/11/30/1080581130.db2.gz SGKXMZBGYITPDQ-UHFFFAOYSA-N 0 3 302.422 2.270 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)NCc1ccc(Cl)s1 ZINC001662219809 1080585753 /nfs/dbraw/zinc/58/57/53/1080585753.db2.gz PCCXRWGMHJBTOJ-WDEREUQCSA-N 0 3 314.838 2.034 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)Cc2nc(CC)c[nH]2)CCCC1 ZINC001481899460 1080590965 /nfs/dbraw/zinc/59/09/65/1080590965.db2.gz WZOGKLKWVZKTQA-UHFFFAOYSA-N 0 3 324.856 2.286 20 30 DEEDHN C=C1CCC(C(=O)NC[C@H](C)NCC(=O)N[C@@H](C)CCC)CC1 ZINC001662330432 1080598465 /nfs/dbraw/zinc/59/84/65/1080598465.db2.gz ZKTIPVWAGANWEC-GJZGRUSLSA-N 0 3 323.481 2.132 20 30 DEEDHN COCC#CCN[C@@H](C)CNC(=O)Cc1cccc2ccccc21 ZINC001662395686 1080603645 /nfs/dbraw/zinc/60/36/45/1080603645.db2.gz ZDPITXGKAANAAJ-INIZCTEOSA-N 0 3 324.424 2.126 20 30 DEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC001481969088 1080657705 /nfs/dbraw/zinc/65/77/05/1080657705.db2.gz XQZDUIYAIGSQQH-HNNXBMFYSA-N 0 3 324.856 2.244 20 30 DEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)c2scnc2Cl)C1 ZINC001662877715 1080671794 /nfs/dbraw/zinc/67/17/94/1080671794.db2.gz GWVLCTDWJGHEFM-NSHDSACASA-N 0 3 311.838 2.356 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001663172038 1080713622 /nfs/dbraw/zinc/71/36/22/1080713622.db2.gz QQAXMCLMKIDQHH-FUHWJXTLSA-N 0 3 320.408 2.188 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001663171224 1080713639 /nfs/dbraw/zinc/71/36/39/1080713639.db2.gz KRMLSFSSOUQIFN-CXAGYDPISA-N 0 3 308.397 2.262 20 30 DEEDHN C=C[C@](C)(O)CC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001663172040 1080713890 /nfs/dbraw/zinc/71/38/90/1080713890.db2.gz QQAXMCLMKIDQHH-WMZOPIPTSA-N 0 3 320.408 2.188 20 30 DEEDHN C=C(C)CN(C)CCNC(=O)c1cccc(NC(C)=O)c1C ZINC001663317837 1080730664 /nfs/dbraw/zinc/73/06/64/1080730664.db2.gz PQNFUHTXCQQTGQ-UHFFFAOYSA-N 0 3 303.406 2.191 20 30 DEEDHN C=C(C)CN(CC)CCNC(=O)C(=O)Nc1c(C)cccc1C ZINC001663461473 1080749993 /nfs/dbraw/zinc/74/99/93/1080749993.db2.gz MMACXVZEMRZXRR-UHFFFAOYSA-N 0 3 317.433 2.256 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@H](OCC)C1CCCC1 ZINC001663513019 1080762862 /nfs/dbraw/zinc/76/28/62/1080762862.db2.gz PZSGDPBPWIFVHO-IRXDYDNUSA-N 0 3 306.450 2.186 20 30 DEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN1CCc1cnn(C)c1 ZINC001663527976 1080768654 /nfs/dbraw/zinc/76/86/54/1080768654.db2.gz KBKVZGVKLFDXTB-MRXNPFEDSA-N 0 3 318.465 2.146 20 30 DEEDHN C=CCN(CCNC(=O)c1ncnc2ccsc21)C1CC1 ZINC001663727174 1080809123 /nfs/dbraw/zinc/80/91/23/1080809123.db2.gz JMBDUCUUVCEARB-UHFFFAOYSA-N 0 3 302.403 2.072 20 30 DEEDHN C=CCN(CCNC(=O)C(C)(C)c1c(C)noc1C)C1CC1 ZINC001663749794 1080812308 /nfs/dbraw/zinc/81/23/08/1080812308.db2.gz UHUDDFSISGFAPC-UHFFFAOYSA-N 0 3 305.422 2.336 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC001663927558 1080837957 /nfs/dbraw/zinc/83/79/57/1080837957.db2.gz DKWCCVBQRGHFFV-OLZOCXBDSA-N 0 3 324.371 2.112 20 30 DEEDHN CC#CCNCCN(C)C(=O)COc1ccc(C(C)C)cc1 ZINC001664047589 1080853863 /nfs/dbraw/zinc/85/38/63/1080853863.db2.gz NYZJUYRBIHFMNI-UHFFFAOYSA-N 0 3 302.418 2.260 20 30 DEEDHN Cc1cccnc1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268640934 1080910881 /nfs/dbraw/zinc/91/08/81/1080910881.db2.gz DBMZGZUCIZDFKZ-MRXNPFEDSA-N 0 3 307.397 2.150 20 30 DEEDHN C=C(C)CN[C@H](CNC(=O)c1nccc(C)n1)c1ccccc1 ZINC001664577854 1080928157 /nfs/dbraw/zinc/92/81/57/1080928157.db2.gz GIPWBFDXTYDVFV-MRXNPFEDSA-N 0 3 310.401 2.422 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)CCN1CCN(CC[C@H](C)F)CC1 ZINC001664777961 1080960016 /nfs/dbraw/zinc/96/00/16/1080960016.db2.gz UEHPUGMVYIMZCV-HNNXBMFYSA-N 0 3 313.461 2.023 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCCNCc1nsc2ccccc12 ZINC001268783337 1080989458 /nfs/dbraw/zinc/98/94/58/1080989458.db2.gz HMEFEZLLYDKBQX-LBPRGKRZSA-N 0 3 316.430 2.394 20 30 DEEDHN C#CCCN1CC(CNC(=O)CCCOc2ccc(C)cc2)C1 ZINC001665354642 1081018017 /nfs/dbraw/zinc/01/80/17/1081018017.db2.gz MNHDAWKFPDKINA-UHFFFAOYSA-N 0 3 314.429 2.225 20 30 DEEDHN C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001665630849 1081051109 /nfs/dbraw/zinc/05/11/09/1081051109.db2.gz FLQPOSJEGMXWHP-FUHWJXTLSA-N 0 3 314.429 2.066 20 30 DEEDHN C=CCCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC001665686427 1081063669 /nfs/dbraw/zinc/06/36/69/1081063669.db2.gz JRJTVQYQCRHIPA-INIZCTEOSA-N 0 3 315.417 2.042 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCC2CCOCC2)C1 ZINC001665731949 1081073077 /nfs/dbraw/zinc/07/30/77/1081073077.db2.gz PFGQPYSAPMNQLT-KRWDZBQOSA-N 0 3 306.450 2.139 20 30 DEEDHN C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001269076356 1081108088 /nfs/dbraw/zinc/10/80/88/1081108088.db2.gz UGXFIEFHWKAJKG-OAHLLOKOSA-N 0 3 313.405 2.022 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001269159542 1081145364 /nfs/dbraw/zinc/14/53/64/1081145364.db2.gz JSQLHDIIXXCBMH-GOSISDBHSA-N 0 3 316.445 2.239 20 30 DEEDHN C#CCNCc1ccc(CNC(=O)C(C)(C)CCOC)cc1 ZINC001666347730 1081147009 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C#CCCN(C)CCN(C)C(=O)COc1ccc(C)c(C)c1 ZINC001667660268 1081270755 /nfs/dbraw/zinc/27/07/55/1081270755.db2.gz VBHKOTFZYRKRKX-UHFFFAOYSA-N 0 3 302.418 2.096 20 30 DEEDHN COCCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001269520364 1081274806 /nfs/dbraw/zinc/27/48/06/1081274806.db2.gz OYHDRFIDSRWOKB-UHFFFAOYSA-N 0 3 314.429 2.093 20 30 DEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1ccnc1 ZINC001269601716 1081303315 /nfs/dbraw/zinc/30/33/15/1081303315.db2.gz MIDHDLQSJVHVQK-SJORKVTESA-N 0 3 316.449 2.305 20 30 DEEDHN Cc1ncoc1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001668015393 1081305696 /nfs/dbraw/zinc/30/56/96/1081305696.db2.gz IGYDFDFKCRQNNP-GFCCVEGCSA-N 0 3 312.373 2.153 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cnn(C2CCC2)c1 ZINC001668061445 1081311721 /nfs/dbraw/zinc/31/17/21/1081311721.db2.gz USADGVGBEFZBDZ-LBPRGKRZSA-N 0 3 310.829 2.459 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ncoc1-c1ccon1 ZINC001668278656 1081336125 /nfs/dbraw/zinc/33/61/25/1081336125.db2.gz KIZRVEBMFWQDEJ-SNVBAGLBSA-N 0 3 324.768 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C#CCN1CCC([C@@H]2CCCN(C(=O)C[C@@H](C)COC)C2)CC1 ZINC001672170525 1081563776 /nfs/dbraw/zinc/56/37/76/1081563776.db2.gz IMTICIOEHKLURF-SJLPKXTDSA-N 0 3 320.477 2.243 20 30 DEEDHN C=CCN[C@@H](CNC(=O)c1ccnn1C)c1ccccc1CC ZINC001672177045 1081564103 /nfs/dbraw/zinc/56/41/03/1081564103.db2.gz QGZCCWKMHCHCRJ-INIZCTEOSA-N 0 3 312.417 2.229 20 30 DEEDHN C#CCCN[C@@H](CNC(=O)c1nc(C)c[nH]1)c1ccccc1CC ZINC001672183479 1081564696 /nfs/dbraw/zinc/56/46/96/1081564696.db2.gz OGWZBPZNQKDUKP-KRWDZBQOSA-N 0 3 324.428 2.365 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)CCc1ccoc1 ZINC001672388518 1081591913 /nfs/dbraw/zinc/59/19/13/1081591913.db2.gz JDNRJPCDKNNGTP-UHFFFAOYSA-N 0 3 310.397 2.464 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](CCNCc2ccn(CC)n2)C1 ZINC001672778524 1081626429 /nfs/dbraw/zinc/62/64/29/1081626429.db2.gz PNAORCBUVZSYIE-INIZCTEOSA-N 0 3 316.449 2.035 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001672830111 1081709560 /nfs/dbraw/zinc/70/95/60/1081709560.db2.gz 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C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCCOC ZINC001674419767 1081869025 /nfs/dbraw/zinc/86/90/25/1081869025.db2.gz FXKUJCFPSPLPMW-IEBWSBKVSA-N 0 3 314.429 2.198 20 30 DEEDHN C=CCN1CCC[C@](C)(CNC(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001271000115 1081870715 /nfs/dbraw/zinc/87/07/15/1081870715.db2.gz UQNCJGQXXXQMKS-TZMCWYRMSA-N 0 3 322.371 2.358 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001674499829 1081883124 /nfs/dbraw/zinc/88/31/24/1081883124.db2.gz QJMUVGKSMSFVJF-BBRMVZONSA-N 0 3 318.465 2.249 20 30 DEEDHN C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001482453038 1081896370 /nfs/dbraw/zinc/89/63/70/1081896370.db2.gz ONDNKCQLMNBWOU-AWEZNQCLSA-N 0 3 318.421 2.123 20 30 DEEDHN CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001482465655 1081933207 /nfs/dbraw/zinc/93/32/07/1081933207.db2.gz IURDOAKICCRLJE-CABCVRRESA-N 0 3 300.402 2.246 20 30 DEEDHN C#CCCN(C)CCNC(=O)c1cc(Cl)c(Cl)n1C ZINC001266280736 1081937560 /nfs/dbraw/zinc/93/75/60/1081937560.db2.gz 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1082033557 /nfs/dbraw/zinc/03/35/57/1082033557.db2.gz SSRNINNLRGZISS-UXLLHSPISA-N 0 3 316.449 2.246 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001266468215 1082056921 /nfs/dbraw/zinc/05/69/21/1082056921.db2.gz MDQYOJAHURUDDS-SJORKVTESA-N 0 3 316.449 2.074 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)COc1ccccc1OCC ZINC001266492800 1082071771 /nfs/dbraw/zinc/07/17/71/1082071771.db2.gz WYWDZKNDHMYXSM-OAHLLOKOSA-N 0 3 318.417 2.231 20 30 DEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001167285025 1082079443 /nfs/dbraw/zinc/07/94/43/1082079443.db2.gz DHDVVCTZRHRHSI-MCIONIFRSA-N 0 3 312.841 2.183 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC001266537002 1082130891 /nfs/dbraw/zinc/13/08/91/1082130891.db2.gz CCHRZIUZMSPWCK-SFHVURJKSA-N 0 3 320.477 2.435 20 30 DEEDHN CCCC(=O)N[C@@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001670439699 1082132670 /nfs/dbraw/zinc/13/26/70/1082132670.db2.gz RXILMNOAQZZURJ-KRWDZBQOSA-N 0 3 302.393 2.462 20 30 DEEDHN COCCCC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001482517457 1082137457 /nfs/dbraw/zinc/13/74/57/1082137457.db2.gz MBVVCLZPORHFRZ-SFHVURJKSA-N 0 3 316.445 2.195 20 30 DEEDHN C#CCN1CC[C@H](CNC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001266544630 1082140084 /nfs/dbraw/zinc/14/00/84/1082140084.db2.gz FFINZWBTISQINX-OAHLLOKOSA-N 0 3 309.413 2.090 20 30 DEEDHN Cc1nsc(C)c1CNC[C@H](NC(=O)C#CC1CC1)C1CC1 ZINC001670470135 1082145678 /nfs/dbraw/zinc/14/56/78/1082145678.db2.gz PUUNNZQHHBJSIR-INIZCTEOSA-N 0 3 317.458 2.158 20 30 DEEDHN C[C@@H](C#N)C(=O)N(CCNCc1cccnc1)Cc1ccccc1 ZINC001271797550 1082157009 /nfs/dbraw/zinc/15/70/09/1082157009.db2.gz PEIDRYAAHDYBFL-INIZCTEOSA-N 0 3 322.412 2.360 20 30 DEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)cn2ccnc12 ZINC001266566368 1082163943 /nfs/dbraw/zinc/16/39/43/1082163943.db2.gz ACTGSBSCESDFBM-UHFFFAOYSA-N 0 3 312.417 2.108 20 30 DEEDHN C#CCN(CCC)CCNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001266575150 1082169218 /nfs/dbraw/zinc/16/92/18/1082169218.db2.gz DRYUKUGZAIZXPF-UHFFFAOYSA-N 0 3 318.465 2.085 20 30 DEEDHN O=C(N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1)c1ccc[nH]1 ZINC001266576671 1082170885 /nfs/dbraw/zinc/17/08/85/1082170885.db2.gz UNPNQDJUVIMSCF-WKILWMFISA-N 0 3 311.360 2.056 20 30 DEEDHN C=CCN(CCNC(=O)c1cn(-c2ccccc2)cn1)C1CC1 ZINC001266592220 1082180334 /nfs/dbraw/zinc/18/03/34/1082180334.db2.gz LGMRCCLHXRZQJL-UHFFFAOYSA-N 0 3 310.401 2.253 20 30 DEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](NCc2cnoc2C)C1 ZINC001266595668 1082182459 /nfs/dbraw/zinc/18/24/59/1082182459.db2.gz DFDCATHWSNDFQM-WKILWMFISA-N 0 3 303.406 2.488 20 30 DEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001496738934 1082199505 /nfs/dbraw/zinc/19/95/05/1082199505.db2.gz PYWFVQKCJCHKEO-MRXNPFEDSA-N 0 3 320.820 2.057 20 30 DEEDHN C=CCCCCCN1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 ZINC001271960057 1082208469 /nfs/dbraw/zinc/20/84/69/1082208469.db2.gz XJTBRPGXZMHDAL-LJQANCHMSA-N 0 3 320.477 2.335 20 30 DEEDHN C=CCCN1CCC[C@@](CO)(NC(=O)c2cccc(F)c2C)C1 ZINC001271965071 1082210041 /nfs/dbraw/zinc/21/00/41/1082210041.db2.gz IIBRQBRAVVBLKG-GOSISDBHSA-N 0 3 320.408 2.267 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1ccc2nccnc2c1)C1CC1 ZINC001266619449 1082224766 /nfs/dbraw/zinc/22/47/66/1082224766.db2.gz NIRNGKYWCISYLU-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@H](NCc2ccccn2)C(C)C)nc1 ZINC001482565542 1082234983 /nfs/dbraw/zinc/23/49/83/1082234983.db2.gz NGDKCRDNDWLFBG-SFHVURJKSA-N 0 3 322.412 2.002 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CSCCC)C1 ZINC001266656218 1082252644 /nfs/dbraw/zinc/25/26/44/1082252644.db2.gz PVPKLLUZMLNFJZ-JKSUJKDBSA-N 0 3 308.491 2.466 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1)c1ccccn1 ZINC001266663622 1082258480 /nfs/dbraw/zinc/25/84/80/1082258480.db2.gz PSGXGUNBLFHCIB-CALCHBBNSA-N 0 3 323.371 2.123 20 30 DEEDHN CC(C)CCOCCN(C)CCN(C)C(=O)C#CC(C)(C)C ZINC001272013993 1082266404 /nfs/dbraw/zinc/26/64/04/1082266404.db2.gz UNUXOPOMOAPYEP-UHFFFAOYSA-N 0 3 310.482 2.489 20 30 DEEDHN CC[C@H](SC)C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001266675153 1082271347 /nfs/dbraw/zinc/27/13/47/1082271347.db2.gz JRIBAOISBHYHHN-HNNXBMFYSA-N 0 3 323.437 2.387 20 30 DEEDHN C=CCOCC(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC001482584865 1082280543 /nfs/dbraw/zinc/28/05/43/1082280543.db2.gz HQXVSNIUBUPZGH-CQSZACIVSA-N 0 3 308.397 2.480 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N(C)CCNCc1cc2ccccc2o1 ZINC001266686876 1082284025 /nfs/dbraw/zinc/28/40/25/1082284025.db2.gz SMJGZINVZBECOC-GOSISDBHSA-N 0 3 316.401 2.308 20 30 DEEDHN C=CCCC(=O)NC[C@H]1CCCN([C@H](C)C(=O)N(CC)CC)C1 ZINC001266744363 1082315014 /nfs/dbraw/zinc/31/50/14/1082315014.db2.gz XRQQONAOIRZXOL-HZPDHXFCSA-N 0 3 323.481 2.038 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC001266751804 1082322050 /nfs/dbraw/zinc/32/20/50/1082322050.db2.gz KLDLFFFDJQTELB-CABCVRRESA-N 0 3 318.392 2.054 20 30 DEEDHN COCc1ccc(CN(C)CCN(C)C(=O)C#CC(C)C)cc1 ZINC001482595794 1082336352 /nfs/dbraw/zinc/33/63/52/1082336352.db2.gz ZXVJGZXVXQMBMR-UHFFFAOYSA-N 0 3 316.445 2.383 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](CNCc2cnns2)C1 ZINC001266804867 1082357063 /nfs/dbraw/zinc/35/70/63/1082357063.db2.gz QALPZDLYPPZVQR-UONOGXRCSA-N 0 3 322.478 2.469 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)OCc1cccc(C)c1 ZINC001272075187 1082396678 /nfs/dbraw/zinc/39/66/78/1082396678.db2.gz IQQSSUFOJAAHJG-INIZCTEOSA-N 0 3 304.434 2.476 20 30 DEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC001482648665 1082432362 /nfs/dbraw/zinc/43/23/62/1082432362.db2.gz RPYFDIRAJJHDQH-RHSMWYFYSA-N 0 3 318.417 2.181 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(CC#CCOC)C1 ZINC001266893584 1082435901 /nfs/dbraw/zinc/43/59/01/1082435901.db2.gz CSCIOENIYSXLKB-HOTGVXAUSA-N 0 3 306.450 2.065 20 30 DEEDHN COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2coc(C)c2)C1 ZINC001266895355 1082436966 /nfs/dbraw/zinc/43/69/66/1082436966.db2.gz ZYFKFDQEALZTPY-HZPDHXFCSA-N 0 3 318.417 2.068 20 30 DEEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ncc(Cl)n1C ZINC001482670207 1082454097 /nfs/dbraw/zinc/45/40/97/1082454097.db2.gz AKZJFODKIXBYPG-OLZOCXBDSA-N 0 3 324.856 2.414 20 30 DEEDHN C#CCCCC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001266933049 1082461086 /nfs/dbraw/zinc/46/10/86/1082461086.db2.gz LMMNTWJUZIDIOO-ZDUSSCGKSA-N 0 3 301.365 2.095 20 30 DEEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCC(=O)N1CCCC[C@@H]1C ZINC001266942773 1082466271 /nfs/dbraw/zinc/46/62/71/1082466271.db2.gz LLSRZYJERVNROW-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CNC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001266959792 1082476000 /nfs/dbraw/zinc/47/60/00/1082476000.db2.gz XAWCOQGECCORLI-CVEARBPZSA-N 0 3 302.418 2.018 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1nncc2ccccc21 ZINC001482854252 1082531230 /nfs/dbraw/zinc/53/12/30/1082531230.db2.gz FFYILROACUKOFH-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnn2ccccc12 ZINC001482880276 1082543800 /nfs/dbraw/zinc/54/38/00/1082543800.db2.gz LQWRDWUKJZKHPZ-GFCCVEGCSA-N 0 3 306.797 2.185 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)c1cc(C)cc(C)c1 ZINC001482964382 1082582359 /nfs/dbraw/zinc/58/23/59/1082582359.db2.gz KFLKMONJOWYSEC-UHFFFAOYSA-N 0 3 302.418 2.005 20 30 DEEDHN CCN(CCNCC#CCOC)C(=O)C(C)(C)c1ccccc1 ZINC001482966391 1082584132 /nfs/dbraw/zinc/58/41/32/1082584132.db2.gz LCZZHFBBXRWMEU-UHFFFAOYSA-N 0 3 316.445 2.052 20 30 DEEDHN C=CCN(C)CCN(C)C(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001272145067 1082604791 /nfs/dbraw/zinc/60/47/91/1082604791.db2.gz HODMZZOAMIVDJP-CQSZACIVSA-N 0 3 305.422 2.449 20 30 DEEDHN CC[C@@H](C)OCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001493520094 1082618121 /nfs/dbraw/zinc/61/81/21/1082618121.db2.gz DHOFBMAIHBVGLE-CYBMUJFWSA-N 0 3 321.396 2.060 20 30 DEEDHN C=C(C)CCC(=O)NC/C=C/CNCc1ccc2nonc2c1 ZINC001483014907 1082625699 /nfs/dbraw/zinc/62/56/99/1082625699.db2.gz YOLQTNCUJNUEKM-ONEGZZNKSA-N 0 3 314.389 2.341 20 30 DEEDHN C#Cc1ccccc1CC(=O)NC/C=C/CNC/C=C/Cl ZINC001483086040 1082698575 /nfs/dbraw/zinc/69/85/75/1082698575.db2.gz CYLRLKIFQZFLRJ-WEYXYWBQSA-N 0 3 302.805 2.225 20 30 DEEDHN CC#CCNC/C=C\CNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001483101124 1082708789 /nfs/dbraw/zinc/70/87/89/1082708789.db2.gz UYJFREGPDNEZEF-YVACAVLKSA-N 0 3 302.393 2.290 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ccn(CC)n1 ZINC001272244452 1082750261 /nfs/dbraw/zinc/75/02/61/1082750261.db2.gz QOPNVLJRQDEYEU-GOEBONIOSA-N 0 3 304.438 2.244 20 30 DEEDHN CS[C@H](C)CC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001483220357 1082822919 /nfs/dbraw/zinc/82/29/19/1082822919.db2.gz CNXIIKLAFQLUBE-NWDGAFQWSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001409660791 1083008942 /nfs/dbraw/zinc/00/89/42/1083008942.db2.gz PZTMWNYDNRNKHJ-JQWIXIFHSA-N 0 3 324.856 2.337 20 30 DEEDHN COCC#CCNC[C@H](C)NC(=O)c1cccc(C(C)C)c1 ZINC001483280432 1083070851 /nfs/dbraw/zinc/07/08/51/1083070851.db2.gz LIWYBFKGWRDFJC-HNNXBMFYSA-N 0 3 302.418 2.168 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001276397780 1083377081 /nfs/dbraw/zinc/37/70/81/1083377081.db2.gz SJTBIDSCKPHIGE-JKSUJKDBSA-N 0 3 306.450 2.372 20 30 DEEDHN C=CCN1C[C@H](NC(=O)CCCn2nc(C)cc2C)C(C)(C)C1 ZINC001276607778 1083512759 /nfs/dbraw/zinc/51/27/59/1083512759.db2.gz LSAKJXCQZLPGCM-INIZCTEOSA-N 0 3 318.465 2.293 20 30 DEEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCSC)C1 ZINC001107722282 1083636645 /nfs/dbraw/zinc/63/66/45/1083636645.db2.gz FLUBWGVXPVLWSA-HOCLYGCPSA-N 0 3 314.495 2.301 20 30 DEEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCN1CC1CCC(C)(C)CC1 ZINC001276853213 1083648277 /nfs/dbraw/zinc/64/82/77/1083648277.db2.gz MNSWWMMAHYKDPK-WBVHZDCISA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCCCN1CC[C@@H]1CNC(=O)Cn1nc(C)c(Cl)c1C ZINC001276970545 1083710270 /nfs/dbraw/zinc/71/02/70/1083710270.db2.gz RIQUROOUZHRMQA-CQSZACIVSA-N 0 3 324.856 2.310 20 30 DEEDHN C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001077742120 1083784337 /nfs/dbraw/zinc/78/43/37/1083784337.db2.gz NNWUYAOMHHAUOH-GJZGRUSLSA-N 0 3 323.481 2.082 20 30 DEEDHN C#CCCCC(=O)NC[C@]1(C)CN([C@@H](C)CCC=C)CCO1 ZINC001107900801 1083858306 /nfs/dbraw/zinc/85/83/06/1083858306.db2.gz CGSMGRZAFYMCIU-FUHWJXTLSA-N 0 3 306.450 2.352 20 30 DEEDHN COc1ccc(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)o1 ZINC001490939253 1083963158 /nfs/dbraw/zinc/96/31/58/1083963158.db2.gz HBEOHHGRANMUQZ-WKILWMFISA-N 0 3 324.380 2.190 20 30 DEEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c1[O-] ZINC001277456177 1083981723 /nfs/dbraw/zinc/98/17/23/1083981723.db2.gz BZDKXXYJWIBBIM-MIFYACCESA-N 0 3 300.402 2.064 20 30 DEEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c1[O-] ZINC001277456177 1083981728 /nfs/dbraw/zinc/98/17/28/1083981728.db2.gz BZDKXXYJWIBBIM-MIFYACCESA-N 0 3 300.402 2.064 20 30 DEEDHN C=CCc1cccc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C)C2)c1[O-] ZINC001277464614 1083984969 /nfs/dbraw/zinc/98/49/69/1083984969.db2.gz ZCLNDBWIQBKJHC-OAHLLOKOSA-N 0 3 300.402 2.031 20 30 DEEDHN C=CCc1cccc(CN2CC3(C[C@@H]3C(=O)N(C)C)C2)c1O ZINC001277464614 1083984974 /nfs/dbraw/zinc/98/49/74/1083984974.db2.gz ZCLNDBWIQBKJHC-OAHLLOKOSA-N 0 3 300.402 2.031 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCOC)C1 ZINC001490987666 1083990507 /nfs/dbraw/zinc/99/05/07/1083990507.db2.gz WGOHSEADPZWMFX-DLBZAZTESA-N 0 3 306.450 2.139 20 30 DEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC(F)(F)C(F)F)C2)C1 ZINC001277530340 1084021759 /nfs/dbraw/zinc/02/17/59/1084021759.db2.gz BCKDXDALUFKRJS-AWEZNQCLSA-N 0 3 320.330 2.225 20 30 DEEDHN N#Cc1ccc(CCCN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)cc1 ZINC001277595986 1084049865 /nfs/dbraw/zinc/04/98/65/1084049865.db2.gz MJICXIRDZLYVDA-QUCCMNQESA-N 0 3 321.424 2.354 20 30 DEEDHN Cc1ncoc1CNCC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001205236368 1084077581 /nfs/dbraw/zinc/07/75/81/1084077581.db2.gz RTUFNEDBEXBOKW-UHFFFAOYSA-N 0 3 317.433 2.361 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)Cc2ccc3cnccc3c2)C1 ZINC001491110070 1084084377 /nfs/dbraw/zinc/08/43/77/1084084377.db2.gz CRNRYFSOMXMNSK-KRWDZBQOSA-N 0 3 321.424 2.239 20 30 DEEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1CCSC3(CCC3)C1)C2 ZINC001649086177 1084101924 /nfs/dbraw/zinc/10/19/24/1084101924.db2.gz CCHCDWPMRYIHOR-WJEHIRDRSA-N 0 3 319.474 2.060 20 30 DEEDHN C=CCCOCC(=O)N1CC[C@H](NCc2cc(C)no2)C[C@H]1C ZINC001277786754 1084148623 /nfs/dbraw/zinc/14/86/23/1084148623.db2.gz YIPCBFVDTHPKQN-CABCVRRESA-N 0 3 321.421 2.045 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1c(C)nn(CC)c1C ZINC001491229627 1084165411 /nfs/dbraw/zinc/16/54/11/1084165411.db2.gz JARLBKIGZDFDHC-MRXNPFEDSA-N 0 3 318.465 2.219 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC1CCCCC1 ZINC001277837310 1084169042 /nfs/dbraw/zinc/16/90/42/1084169042.db2.gz YWKRUCYFAHRYKT-HNNXBMFYSA-N 0 3 323.481 2.228 20 30 DEEDHN Cc1cccc(CCN2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)c1 ZINC001277861745 1084180595 /nfs/dbraw/zinc/18/05/95/1084180595.db2.gz GJPNYQAGQPEYSV-KRWDZBQOSA-N 0 3 323.440 2.422 20 30 DEEDHN C=C(C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NCC(C)C ZINC001277865356 1084183408 /nfs/dbraw/zinc/18/34/08/1084183408.db2.gz FQBWRWRDLXWREQ-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccsc2)[C@H](OC)C1 ZINC001212411599 1084237506 /nfs/dbraw/zinc/23/75/06/1084237506.db2.gz DEVYBPJDVGXRIZ-HUUCEWRRSA-N 0 3 308.447 2.072 20 30 DEEDHN CCCCCCC[NH2+]CCNC(=O)c1cccc2n[n-]nc21 ZINC001128061512 1084247906 /nfs/dbraw/zinc/24/79/06/1084247906.db2.gz KOCIBGGJXTUEET-UHFFFAOYSA-N 0 3 303.410 2.248 20 30 DEEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)[C@@H](C)CC)C2)n1 ZINC001128089487 1084323128 /nfs/dbraw/zinc/32/31/28/1084323128.db2.gz JPGCTTMYNOYOGX-GOEBONIOSA-N 0 3 316.449 2.098 20 30 DEEDHN C#Cc1cncc(C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)c1 ZINC001277928868 1084337330 /nfs/dbraw/zinc/33/73/30/1084337330.db2.gz JBIGWEWBWVNUSR-OAHLLOKOSA-N 0 3 322.412 2.017 20 30 DEEDHN C=CCCO[C@H](C)C(=O)NCCCN(C)Cc1cnccc1C ZINC001235246299 1084357779 /nfs/dbraw/zinc/35/77/79/1084357779.db2.gz PJDJLGCYNTYCHS-MRXNPFEDSA-N 0 3 319.449 2.309 20 30 DEEDHN C=CCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC2(CCOCC2)C1 ZINC001089951918 1084369019 /nfs/dbraw/zinc/36/90/19/1084369019.db2.gz BMRGYVDLBVQOEP-LTIDMASMSA-N 0 3 318.461 2.206 20 30 DEEDHN C#CCN1CCC2(CCN(Cc3ccc4c(c3)COC4)CC2)C1=O ZINC001272860738 1084385915 /nfs/dbraw/zinc/38/59/15/1084385915.db2.gz GJGLAPHTACPWJK-UHFFFAOYSA-N 0 3 324.424 2.165 20 30 DEEDHN N#CCCCN1CC[C@H]2CN(C(=O)c3cccc4nc[nH]c43)C[C@H]21 ZINC001277942800 1084418251 /nfs/dbraw/zinc/41/82/51/1084418251.db2.gz DWJGOHRCCSQCRO-XJKSGUPXSA-N 0 3 323.400 2.013 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC23CC3)CC2(CCOCC2)C1 ZINC001089957180 1084433099 /nfs/dbraw/zinc/43/30/99/1084433099.db2.gz KCTYRQGXLQUNPJ-HOTGVXAUSA-N 0 3 318.461 2.350 20 30 DEEDHN CCOC(=O)NC1CCN(Cc2ccccc2CC#N)CC1 ZINC001235526417 1084455798 /nfs/dbraw/zinc/45/57/98/1084455798.db2.gz DDSHYHNXOQQEFJ-UHFFFAOYSA-N 0 3 301.390 2.463 20 30 DEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001235666034 1084492509 /nfs/dbraw/zinc/49/25/09/1084492509.db2.gz OSBUGKSWCAKMIE-HZPDHXFCSA-N 0 3 323.481 2.158 20 30 DEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccnc2ccncc21 ZINC001272927152 1084679009 /nfs/dbraw/zinc/67/90/09/1084679009.db2.gz PVVUTSKCCYCCNE-LBPRGKRZSA-N 0 3 318.808 2.480 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCO[C@H](CNCc2cccnc2)C1 ZINC001078440583 1084692313 /nfs/dbraw/zinc/69/23/13/1084692313.db2.gz BYNCDLSTECXWDT-MRXNPFEDSA-N 0 3 317.433 2.001 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C12CCC2 ZINC001078588567 1084760625 /nfs/dbraw/zinc/76/06/25/1084760625.db2.gz DCQJSDNMOHFRIZ-KBPBESRZSA-N 0 3 318.808 2.269 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2nccc(C)n2)C12CCC2 ZINC001078608709 1084766272 /nfs/dbraw/zinc/76/62/72/1084766272.db2.gz IGVUERPNAOSTEV-OLZOCXBDSA-N 0 3 320.824 2.168 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2=CCOCC2)C12CCC2 ZINC001078607237 1084766575 /nfs/dbraw/zinc/76/65/75/1084766575.db2.gz UGYTZHLTVVVHLQ-UONOGXRCSA-N 0 3 310.825 2.103 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2oncc2C)C12CCC2 ZINC001078764411 1084877717 /nfs/dbraw/zinc/87/77/17/1084877717.db2.gz SFMJIUJDWFZJQF-RYUDHWBXSA-N 0 3 309.797 2.366 20 30 DEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C12CCC2 ZINC001078816546 1084908802 /nfs/dbraw/zinc/90/88/02/1084908802.db2.gz OCEDMFFHMSFTLL-ZIAGYGMSSA-N 0 3 307.825 2.327 20 30 DEEDHN C[C@@H](CN(C)C(=O)C#CC1CC1)NCc1ccc(F)c(C#N)c1 ZINC001485872043 1084956026 /nfs/dbraw/zinc/95/60/26/1084956026.db2.gz PETVHVVWOAPHQQ-ZDUSSCGKSA-N 0 3 313.376 2.047 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001485952730 1084998106 /nfs/dbraw/zinc/99/81/06/1084998106.db2.gz GZTIKPUISYJZPY-JKSUJKDBSA-N 0 3 302.418 2.222 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)CCCC1CCCC1 ZINC001485960915 1085022610 /nfs/dbraw/zinc/02/26/10/1085022610.db2.gz BGULZHKDVZKRRD-INIZCTEOSA-N 0 3 308.466 2.433 20 30 DEEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCCOc1cccc(F)c1 ZINC001485960047 1085022630 /nfs/dbraw/zinc/02/26/30/1085022630.db2.gz YDJZNMCGCKWRTL-HNNXBMFYSA-N 0 3 320.408 2.445 20 30 DEEDHN C=CCOCCCC(=O)N1CC[C@H](NCc2cncs2)[C@H]1C ZINC001486075112 1085060423 /nfs/dbraw/zinc/06/04/23/1085060423.db2.gz GAHUVLAARFNFKJ-HIFRSBDPSA-N 0 3 323.462 2.205 20 30 DEEDHN CC#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001486129218 1085078988 /nfs/dbraw/zinc/07/89/88/1085078988.db2.gz PCPBLOULQYYGBM-BEFAXECRSA-N 0 3 310.441 2.320 20 30 DEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3oc(C)nc32)C1 ZINC001486137474 1085083779 /nfs/dbraw/zinc/08/37/79/1085083779.db2.gz VPXPWJNFSYQQCD-GXTWGEPZSA-N 0 3 311.385 2.352 20 30 DEEDHN C#CCCCC(=O)N1C[C@@H](NCc2cncc(F)c2)C(C)(C)C1 ZINC001486232097 1085140317 /nfs/dbraw/zinc/14/03/17/1085140317.db2.gz UGLLWXNKHPYMIH-MRXNPFEDSA-N 0 3 317.408 2.351 20 30 DEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](CNCc2nccn2C)C1 ZINC001486209753 1085141957 /nfs/dbraw/zinc/14/19/57/1085141957.db2.gz BPLRDMSLMNBHQS-GJZGRUSLSA-N 0 3 304.438 2.151 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001486211655 1085143096 /nfs/dbraw/zinc/14/30/96/1085143096.db2.gz WZGOXVTYALABGC-ZIAGYGMSSA-N 0 3 320.462 2.106 20 30 DEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnn(C)c1C ZINC000960246522 1085162690 /nfs/dbraw/zinc/16/26/90/1085162690.db2.gz MXHLBUXAUKEIEQ-QZTJIDSGSA-N 0 3 324.428 2.290 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000960259971 1085169150 /nfs/dbraw/zinc/16/91/50/1085169150.db2.gz ZSUHSFSQJMYFQW-IXDOHACOSA-N 0 3 300.402 2.113 20 30 DEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2onc(C)c2C)[C@H](OC)C1 ZINC001212444366 1085171882 /nfs/dbraw/zinc/17/18/82/1085171882.db2.gz UCFLPOVLBFQMCT-NILFDRSVSA-N 0 3 321.421 2.075 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)c1ccnn1C ZINC000960267056 1085172558 /nfs/dbraw/zinc/17/25/58/1085172558.db2.gz IVUVWLXLQAVJPO-FDQGKXFDSA-N 0 3 324.428 2.081 20 30 DEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cn(CC)nc1C ZINC000960312887 1085192796 /nfs/dbraw/zinc/19/27/96/1085192796.db2.gz NTZZRVQZLPRWHR-QZTJIDSGSA-N 0 3 324.428 2.383 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001486359237 1085218297 /nfs/dbraw/zinc/21/82/97/1085218297.db2.gz SFIDZISFNKOGCP-YOEHRIQHSA-N 0 3 322.424 2.256 20 30 DEEDHN CO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000960463861 1085299701 /nfs/dbraw/zinc/29/97/01/1085299701.db2.gz UBKGUZKMPGNZKM-YOEHRIQHSA-N 0 3 315.417 2.016 20 30 DEEDHN C=C(C)CN(CCNC(=O)c1cc2c(o1)CCCC2)CCOC ZINC001486429439 1085299941 /nfs/dbraw/zinc/29/99/41/1085299941.db2.gz OPSZUSPROKGITC-UHFFFAOYSA-N 0 3 320.433 2.413 20 30 DEEDHN COc1cccc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)c1 ZINC000960497698 1085311145 /nfs/dbraw/zinc/31/11/45/1085311145.db2.gz BNNQFPJPKMMHOH-HOCLYGCPSA-N 0 3 315.417 2.278 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000960502224 1085317705 /nfs/dbraw/zinc/31/77/05/1085317705.db2.gz MGSHXSLRPFAGMW-XJKSGUPXSA-N 0 3 303.381 2.408 20 30 DEEDHN C=CCCC(=O)N(C)C1CC(NCc2cc(CO)ccc2F)C1 ZINC001486457950 1085339507 /nfs/dbraw/zinc/33/95/07/1085339507.db2.gz ZQFCGSVJXMBACB-UHFFFAOYSA-N 0 3 320.408 2.363 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc(C(F)F)c1 ZINC000961046300 1085553320 /nfs/dbraw/zinc/55/33/20/1085553320.db2.gz NWJRNDXGFRSIMA-FOLVSLTJSA-N 0 3 306.356 2.399 20 30 DEEDHN C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122000 1085593713 /nfs/dbraw/zinc/59/37/13/1085593713.db2.gz JBFHPWLJXAROHR-CVEARBPZSA-N 0 3 312.413 2.200 20 30 DEEDHN C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000961122000 1085593718 /nfs/dbraw/zinc/59/37/18/1085593718.db2.gz JBFHPWLJXAROHR-CVEARBPZSA-N 0 3 312.413 2.200 20 30 DEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)cc2)cc(C)n1 ZINC001128289896 1085676024 /nfs/dbraw/zinc/67/60/24/1085676024.db2.gz QLWKKMQNQRPIBW-UHFFFAOYSA-N 0 3 308.385 2.090 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(Cl)sc1Cl ZINC000961462678 1085742278 /nfs/dbraw/zinc/74/22/78/1085742278.db2.gz WXHBJFFMQFURCR-JIGDXULJSA-N 0 3 318.229 2.296 20 30 DEEDHN C#CCN1CC[C@]2(CCN(Cc3cccc(F)c3F)C2)C1=O ZINC001272974469 1085748030 /nfs/dbraw/zinc/74/80/30/1085748030.db2.gz RDHVOEZQBRWVMD-KRWDZBQOSA-N 0 3 304.340 2.022 20 30 DEEDHN N#Cc1ccccc1CNCC1CC(NC(=O)c2ccccn2)C1 ZINC000961480551 1085750280 /nfs/dbraw/zinc/75/02/80/1085750280.db2.gz JUKGYDXYLKRHSW-UHFFFAOYSA-N 0 3 320.396 2.251 20 30 DEEDHN C=C(C)CN1CC[C@@]2(CCN(Cc3nc(C)cs3)C2)C1=O ZINC001272996425 1085855767 /nfs/dbraw/zinc/85/57/67/1085855767.db2.gz HFLOBCHXLHDNDJ-MRXNPFEDSA-N 0 3 305.447 2.452 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc(Cl)cc1Cl ZINC000962144646 1085981605 /nfs/dbraw/zinc/98/16/05/1085981605.db2.gz XUVNRZNYBDYWTF-IAZYJMLFSA-N 0 3 312.200 2.234 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000962438707 1086113246 /nfs/dbraw/zinc/11/32/46/1086113246.db2.gz DKOIHCPHXZXBMH-JNTQEDAASA-N 0 3 314.404 2.289 20 30 DEEDHN C=C(C)[C@H](CC(=O)NCCNCc1ccc(F)cc1)OCC ZINC001128528448 1086183783 /nfs/dbraw/zinc/18/37/83/1086183783.db2.gz NJPZIPHXFMVXMA-INIZCTEOSA-N 0 3 308.397 2.403 20 30 DEEDHN C=C(C)[C@@H](CC(=O)NCCNCc1ccc(F)cc1)OCC ZINC001128528449 1086183877 /nfs/dbraw/zinc/18/38/77/1086183877.db2.gz NJPZIPHXFMVXMA-MRXNPFEDSA-N 0 3 308.397 2.403 20 30 DEEDHN C=CCN1C(=O)COCC12CN(C[C@H]1CCC(C)=C[C@@H]1C)C2 ZINC001273124616 1086283214 /nfs/dbraw/zinc/28/32/14/1086283214.db2.gz MRZPYJWRSIOEFV-JKSUJKDBSA-N 0 3 304.434 2.078 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128953017 1086479275 /nfs/dbraw/zinc/47/92/75/1086479275.db2.gz HVUFQOIQWDIRLI-OAGGEKHMSA-N 0 3 319.453 2.022 20 30 DEEDHN C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001078993086 1086615362 /nfs/dbraw/zinc/61/53/62/1086615362.db2.gz OBJMNGBISLFIOH-HZPDHXFCSA-N 0 3 323.481 2.132 20 30 DEEDHN CSc1ccc([C@@H](CNC(=O)NCCC#N)N(C)C)cc1 ZINC000458727421 1086835656 /nfs/dbraw/zinc/83/56/56/1086835656.db2.gz SXKCNUAPXRGJHR-CQSZACIVSA-N 0 3 306.435 2.224 20 30 DEEDHN C=C[C@H](COC)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001329508494 1148907149 /nfs/dbraw/zinc/90/71/49/1148907149.db2.gz ZWMQMSZWCBWFRQ-HZPDHXFCSA-N 0 3 304.390 2.188 20 30 DEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(-n2cccc2)nc1 ZINC001168762645 1087175756 /nfs/dbraw/zinc/17/57/56/1087175756.db2.gz FMBIBDWCLHYLKD-UHFFFAOYSA-N 0 3 318.808 2.334 20 30 DEEDHN C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CN(C)CCC)CCC1 ZINC001064109341 1087549545 /nfs/dbraw/zinc/54/95/45/1087549545.db2.gz JYXKEPAAOYDBPT-HNNXBMFYSA-N 0 3 323.481 2.086 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079194879 1087760774 /nfs/dbraw/zinc/76/07/74/1087760774.db2.gz QPTLEHOBRHIULD-BBWFWOEESA-N 0 3 320.383 2.337 20 30 DEEDHN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCCCN2CC)C1 ZINC000957424079 1088278991 /nfs/dbraw/zinc/27/89/91/1088278991.db2.gz CJRNSFWCXODHLG-QGZVFWFLSA-N 0 3 307.482 2.360 20 30 DEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114724596 1088292111 /nfs/dbraw/zinc/29/21/11/1088292111.db2.gz PPFVMLDRTJKNMZ-MWDXBVQZSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(CCOCC(C)C)C[C@H]21 ZINC001114728692 1088303328 /nfs/dbraw/zinc/30/33/28/1088303328.db2.gz ISKITXIISCILLV-LISAXSMJSA-N 0 3 308.466 2.308 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001079686132 1088318750 /nfs/dbraw/zinc/31/87/50/1088318750.db2.gz QJHJDOHZVIYSOB-CZUORRHYSA-N 0 3 316.449 2.020 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001079712956 1088347954 /nfs/dbraw/zinc/34/79/54/1088347954.db2.gz SPPSUOJDDXTZLC-BZUAXINKSA-N 0 3 306.450 2.042 20 30 DEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001079822875 1088431129 /nfs/dbraw/zinc/43/11/29/1088431129.db2.gz UAKWRWFYNJZNGB-CXAGYDPISA-N 0 3 310.401 2.313 20 30 DEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(CCOCCCC)C[C@H]21 ZINC001114781843 1088495911 /nfs/dbraw/zinc/49/59/11/1088495911.db2.gz XWXPLUDXHHRFRN-LHHMISFZSA-N 0 3 308.466 2.452 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001080113782 1088632657 /nfs/dbraw/zinc/63/26/57/1088632657.db2.gz QMRLLJWLWHUTGT-XLNGHYISSA-N 0 3 306.450 2.062 20 30 DEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001080185769 1088667883 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CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)CCCOC ZINC001276327675 1089022962 /nfs/dbraw/zinc/02/29/62/1089022962.db2.gz ZNHFFJUMHMKYPA-DLBZAZTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1C[C@H](O)[C@@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC000958567124 1089061959 /nfs/dbraw/zinc/06/19/59/1089061959.db2.gz LTXXCPLLRDVFOJ-IRXDYDNUSA-N 0 3 302.418 2.019 20 30 DEEDHN C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000958639860 1089113217 /nfs/dbraw/zinc/11/32/17/1089113217.db2.gz LHZRNCGXMDECGW-MAUKXSAKSA-N 0 3 310.397 2.048 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)c(CC)s2)C1 ZINC000958650369 1089124306 /nfs/dbraw/zinc/12/43/06/1089124306.db2.gz WLMZUNLOASILHH-UONOGXRCSA-N 0 3 322.474 2.218 20 30 DEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnoc2-c2ccccc2)C1 ZINC001080701233 1089147596 /nfs/dbraw/zinc/14/75/96/1089147596.db2.gz KEWCZSYKKHGVNB-RHSMWYFYSA-N 0 3 323.396 2.415 20 30 DEEDHN C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC000958748114 1089163997 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C#CCN[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1c1ccccc1 ZINC001081170956 1089363784 /nfs/dbraw/zinc/36/37/84/1089363784.db2.gz WUIVIJILFXVZHX-RBUKOAKNSA-N 0 3 319.408 2.221 20 30 DEEDHN C#CCN[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1c1ccccc1 ZINC001081203656 1089372960 /nfs/dbraw/zinc/37/29/60/1089372960.db2.gz WRMFYMDKSBKMIW-DOTOQJQBSA-N 0 3 323.371 2.052 20 30 DEEDHN C=CCCN1C[C@@H](NC(=O)c2cccc(F)c2C)[C@H](OC)C1 ZINC001081709516 1089442456 /nfs/dbraw/zinc/44/24/56/1089442456.db2.gz YDOALEAPGZFHDF-HZPDHXFCSA-N 0 3 306.381 2.139 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001114629695 1089488189 /nfs/dbraw/zinc/48/81/89/1089488189.db2.gz MDPGDSZLGHNZEF-DZJNRPSUSA-N 0 3 314.429 2.133 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001114635417 1089566353 /nfs/dbraw/zinc/56/63/53/1089566353.db2.gz HLDGRALKEIKZLP-BGTYHANMSA-N 0 3 314.429 2.133 20 30 DEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](OC)C1 ZINC001081980096 1089634851 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DEEDHN C#CCNC1(CNC(=O)[C@@H](OC(C)C)c2ccccc2)CCC1 ZINC001273208537 1090107912 /nfs/dbraw/zinc/10/79/12/1090107912.db2.gz PAWRBOPTPRCNDM-KRWDZBQOSA-N 0 3 314.429 2.414 20 30 DEEDHN CN1CC[C@@]2(CCCN2Cc2c[nH]c3c2cccc3C#N)C1=O ZINC001273214708 1090220269 /nfs/dbraw/zinc/22/02/69/1090220269.db2.gz WOCFOINXGKVBRN-SFHVURJKSA-N 0 3 308.385 2.236 20 30 DEEDHN O=C(C#CC1CC1)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084329200 1090266039 /nfs/dbraw/zinc/26/60/39/1090266039.db2.gz QLLJDBDWOHIYAD-RTBURBONSA-N 0 3 308.425 2.175 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)[C@@H]3CCCCO3)[C@@H]2C1 ZINC001084350337 1090272663 /nfs/dbraw/zinc/27/26/63/1090272663.db2.gz XFGHXVNEHIJYRU-ZACQAIPSSA-N 0 3 318.461 2.138 20 30 DEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084395731 1090288714 /nfs/dbraw/zinc/28/87/14/1090288714.db2.gz CDGWTTOCDAUMIZ-RRFJBIMHSA-N 0 3 310.388 2.368 20 30 DEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cc(C4CC4)no3)[C@@H]2C1 ZINC001084399998 1090289564 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DEEDHN C=CCN1CC[C@@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273284058 1090707248 /nfs/dbraw/zinc/70/72/48/1090707248.db2.gz DDAGNDWZEGLVHJ-KRWDZBQOSA-N 0 3 304.365 2.284 20 30 DEEDHN C#CCNC[C@H]1CN(C(=O)c2cc(C)c(Cl)cc2C)CCO1 ZINC001273300561 1090791598 /nfs/dbraw/zinc/79/15/98/1090791598.db2.gz LIOLMGUVBAWACO-AWEZNQCLSA-N 0 3 320.820 2.021 20 30 DEEDHN C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001065969624 1090937955 /nfs/dbraw/zinc/93/79/55/1090937955.db2.gz YMXYPHCIMDKQLB-WBVHZDCISA-N 0 3 323.481 2.036 20 30 DEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(N(C)C)s2)C1=O ZINC001273335099 1091062228 /nfs/dbraw/zinc/06/22/28/1091062228.db2.gz CDMSRKRWSPVDTL-KRWDZBQOSA-N 0 3 317.458 2.014 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc(C(C)C)cc2)CCO1 ZINC001273350883 1091075763 /nfs/dbraw/zinc/07/57/63/1091075763.db2.gz GNBTVNRWOLRIRQ-SFHVURJKSA-N 0 3 314.429 2.264 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)C[C@H](C)CC)C2)CC1 ZINC001273374316 1091109579 /nfs/dbraw/zinc/10/95/79/1091109579.db2.gz JDKXFGKKMSKQPC-IAGOWNOFSA-N 0 3 307.482 2.217 20 30 DEEDHN Cc1cccnc1CN1CC[C@]2(NC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001410864955 1091176376 /nfs/dbraw/zinc/17/63/76/1091176376.db2.gz BGASBRYKAOMBPN-QGPMSJSTSA-N 0 3 312.417 2.163 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC001274435351 1091239847 /nfs/dbraw/zinc/23/98/47/1091239847.db2.gz JUALFIVHXXISSD-AWEZNQCLSA-N 0 3 323.462 2.176 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)CCc2cscn2)C(C)(C)C1 ZINC001274460103 1091254787 /nfs/dbraw/zinc/25/47/87/1091254787.db2.gz LIKPZHXFMQGTGX-AWEZNQCLSA-N 0 3 307.463 2.478 20 30 DEEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cnc(C)[nH]1)CC2 ZINC001274577345 1091306480 /nfs/dbraw/zinc/30/64/80/1091306480.db2.gz YAFHKTQWCIFDBD-HNNXBMFYSA-N 0 3 302.422 2.013 20 30 DEEDHN C=C(C)CCC(=O)NCCN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001296105832 1091346411 /nfs/dbraw/zinc/34/64/11/1091346411.db2.gz ZDPFFIUQNXXGLR-MRXNPFEDSA-N 0 3 323.481 2.180 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)CCOc2ccccc2)C[C@H]1C ZINC001274662498 1091357374 /nfs/dbraw/zinc/35/73/74/1091357374.db2.gz IWMXYJPNEXIUNQ-CVEARBPZSA-N 0 3 300.402 2.058 20 30 DEEDHN C=CCCO[C@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001274694101 1091374641 /nfs/dbraw/zinc/37/46/41/1091374641.db2.gz QRPXDAYSSAZSDK-IAGOWNOFSA-N 0 3 314.429 2.114 20 30 DEEDHN CC[C@H](C)N1CC[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1=O ZINC001274793655 1091422209 /nfs/dbraw/zinc/42/22/09/1091422209.db2.gz GMADWLUONARLBB-KSSFIOAISA-N 0 3 312.417 2.176 20 30 DEEDHN COc1cccc(C(=O)N[C@H](C)CNCC#Cc2ccccc2)c1 ZINC001274995931 1091504119 /nfs/dbraw/zinc/50/41/19/1091504119.db2.gz LPWDONZQAPDPGK-MRXNPFEDSA-N 0 3 322.408 2.455 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001276122453 1091562799 /nfs/dbraw/zinc/56/27/99/1091562799.db2.gz OXSLXMGBOJJABK-HIFRSBDPSA-N 0 3 300.830 2.136 20 30 DEEDHN C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)Cc1cccnc1 ZINC001275384847 1091705023 /nfs/dbraw/zinc/70/50/23/1091705023.db2.gz FBVYJISLVOLRFP-IRXDYDNUSA-N 0 3 321.424 2.159 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001276221126 1091714740 /nfs/dbraw/zinc/71/47/40/1091714740.db2.gz NJFDGKBBVYNIBD-ZDUSSCGKSA-N 0 3 311.813 2.040 20 30 DEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H](OCC)C(C)C)C2)C1 ZINC001671075278 1091725620 /nfs/dbraw/zinc/72/56/20/1091725620.db2.gz OHVYPTXIIJBDLL-PKOBYXMFSA-N 0 3 320.477 2.385 20 30 DEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC001276291397 1091767894 /nfs/dbraw/zinc/76/78/94/1091767894.db2.gz XKFMPHNQJGXFOI-SJORKVTESA-N 0 3 306.450 2.330 20 30 DEEDHN C=C(C)CN1C[C@]2(CCN(C[C@H](C)C(F)(F)F)C2)OCC1=O ZINC001273446180 1091768352 /nfs/dbraw/zinc/76/83/52/1091768352.db2.gz OBCIMDVELZLYQY-GXTWGEPZSA-N 0 3 320.355 2.064 20 30 DEEDHN CC[C@@H](C)CCCCC(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001490825885 1091773946 /nfs/dbraw/zinc/77/39/46/1091773946.db2.gz RBFSYGSVIHDGGZ-SJORKVTESA-N 0 3 308.466 2.433 20 30 DEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001276299472 1091773970 /nfs/dbraw/zinc/77/39/70/1091773970.db2.gz 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/nfs/dbraw/zinc/56/74/16/1140567416.db2.gz ZNSFXYCAPNYYRG-MRXNPFEDSA-N 0 3 307.397 2.183 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2csc(C(C)C)n2)C1 ZINC001278402673 1140606453 /nfs/dbraw/zinc/60/64/53/1140606453.db2.gz CGMBEXPAIHBAGS-STQMWFEESA-N 0 3 305.447 2.482 20 30 DEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001278411867 1140786851 /nfs/dbraw/zinc/78/68/51/1140786851.db2.gz ZUSJLWGITSCTTM-GOSISDBHSA-N 0 3 317.433 2.095 20 30 DEEDHN Cc1cc(CN[C@H](CNC(=O)C#CC2CC2)C(C)C)sn1 ZINC001319910006 1140802297 /nfs/dbraw/zinc/80/22/97/1140802297.db2.gz BPIJRNYIIXQGPX-OAHLLOKOSA-N 0 3 305.447 2.095 20 30 DEEDHN C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2conc2C)C1 ZINC001320096449 1140821080 /nfs/dbraw/zinc/82/10/80/1140821080.db2.gz JPVCALOSVPSPMS-NVXWUHKLSA-N 0 3 315.417 2.209 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2cnoc2C)C1 ZINC001320097653 1140821229 /nfs/dbraw/zinc/82/12/29/1140821229.db2.gz NWUSKPQHCPBXMP-RDJZCZTQSA-N 0 3 315.417 2.209 20 30 DEEDHN CCC1(C(=O)N2CC[C@@H]3[C@H](CCN3CC#CCOC)C2)CCC1 ZINC001320110320 1140823366 /nfs/dbraw/zinc/82/33/66/1140823366.db2.gz FURFPZXDKJPEOE-IAGOWNOFSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCCC(=O)N[C@H]1CCC[C@H]1CNCc1ccn(CC)n1 ZINC001320133857 1140826637 /nfs/dbraw/zinc/82/66/37/1140826637.db2.gz KGLHUOOFDWASIW-RDJZCZTQSA-N 0 3 316.449 2.081 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001320426576 1140864228 /nfs/dbraw/zinc/86/42/28/1140864228.db2.gz ODBXJAVKIYJAPQ-IAGOWNOFSA-N 0 3 317.433 2.151 20 30 DEEDHN C=C(Br)CNCC[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001320431658 1140864666 /nfs/dbraw/zinc/86/46/66/1140864666.db2.gz QIYVIPIXFLTEGE-SNVBAGLBSA-N 0 3 300.200 2.021 20 30 DEEDHN CCN(CCNCc1ccc(OC)c(C#N)c1)C(=O)CC1CC1 ZINC001320662734 1140891200 /nfs/dbraw/zinc/89/12/00/1140891200.db2.gz PVIXMGJVHREZFI-UHFFFAOYSA-N 0 3 315.417 2.305 20 30 DEEDHN C=CCO[C@@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC001320755294 1140911910 /nfs/dbraw/zinc/91/19/10/1140911910.db2.gz MBRQBEJSFOWECL-SNVBAGLBSA-N 0 3 303.271 2.478 20 30 DEEDHN CC(C)=CC(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1 ZINC001320952264 1141004181 /nfs/dbraw/zinc/00/41/81/1141004181.db2.gz KBPQRMBIKDHHLR-ONEGZZNKSA-N 0 3 301.365 2.426 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C\CN[C@H]1CCc2c1cc(F)cc2F ZINC001320996445 1141022018 /nfs/dbraw/zinc/02/20/18/1141022018.db2.gz DYKGRDNHNMLWCV-JBGKNLFASA-N 0 3 319.355 2.374 20 30 DEEDHN C[C@H](C#N)C(=O)NC/C=C\CN[C@@H]1CCc2c1cc(F)cc2F ZINC001320996443 1141022667 /nfs/dbraw/zinc/02/26/67/1141022667.db2.gz DYKGRDNHNMLWCV-HSKXVDMHSA-N 0 3 319.355 2.374 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)c2cscn2)c1 ZINC001320997279 1141023655 /nfs/dbraw/zinc/02/36/55/1141023655.db2.gz CZGXIVAJFQFUJC-UPHRSURJSA-N 0 3 312.398 2.091 20 30 DEEDHN N#Cc1cccc(CNC/C=C/CNC(=O)c2cscn2)c1 ZINC001320997278 1141024155 /nfs/dbraw/zinc/02/41/55/1141024155.db2.gz CZGXIVAJFQFUJC-OWOJBTEDSA-N 0 3 312.398 2.091 20 30 DEEDHN N#Cc1cccc(CNC/C=C\CNC(=O)[C@@H]2CCC2(F)F)c1 ZINC001321111736 1141057029 /nfs/dbraw/zinc/05/70/29/1141057029.db2.gz LHXQFLWWTWEPFZ-OYADATRGSA-N 0 3 319.355 2.366 20 30 DEEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)Cc3ccco3)CCC[C@H]12 ZINC001278466079 1141061698 /nfs/dbraw/zinc/06/16/98/1141061698.db2.gz GCIXGSSBMPKZDV-UWWQBHOKSA-N 0 3 300.402 2.205 20 30 DEEDHN N#Cc1cc(CNC/C=C\CNC(=O)CCCF)ccc1F ZINC001321187517 1141079609 /nfs/dbraw/zinc/07/96/09/1141079609.db2.gz BXOPIZSFXWFXMO-UPHRSURJSA-N 0 3 307.344 2.209 20 30 DEEDHN C=C[C@H](COC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001321270394 1141109465 /nfs/dbraw/zinc/10/94/65/1141109465.db2.gz FHMDGYYBRWTONO-NVXWUHKLSA-N 0 3 320.408 2.355 20 30 DEEDHN C#CCN(C(=O)c1nc(C2CC2)cs1)C1CCN(C)CC1 ZINC001353062291 1151807239 /nfs/dbraw/zinc/80/72/39/1151807239.db2.gz YXOKXJOETVGPPN-UHFFFAOYSA-N 0 3 303.431 2.190 20 30 DEEDHN N#Cc1cccnc1NCCNCc1ccc(-c2cc[nH]n2)o1 ZINC001321397072 1141223872 /nfs/dbraw/zinc/22/38/72/1141223872.db2.gz GSJMWJYPGGXUKO-UHFFFAOYSA-N 0 3 308.345 2.138 20 30 DEEDHN COCC#CCNC[C@@H](C)NC(=O)c1c(C)cccc1Cl ZINC001321640564 1141321117 /nfs/dbraw/zinc/32/11/17/1141321117.db2.gz FSMIDTMZZMOJGV-CYBMUJFWSA-N 0 3 308.809 2.006 20 30 DEEDHN C[C@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)n1cccc1 ZINC001321823138 1141350207 /nfs/dbraw/zinc/35/02/07/1141350207.db2.gz KOJCUCLMOAMDCZ-DLBZAZTESA-N 0 3 309.413 2.195 20 30 DEEDHN C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C#CC1CC1 ZINC001321841523 1141352567 /nfs/dbraw/zinc/35/25/67/1141352567.db2.gz CFURIGMYKXLOAH-AWEZNQCLSA-N 0 3 314.816 2.199 20 30 DEEDHN C[C@@H](CN(C)C[C@@H](O)c1ccccc1)NC(=O)C#CC(C)(C)C ZINC001322158632 1141420220 /nfs/dbraw/zinc/42/02/20/1141420220.db2.gz WJKKNKPCSXTVRZ-DOTOQJQBSA-N 0 3 316.445 2.206 20 30 DEEDHN C=C(Cl)CNCCCN(C)C(=O)Cc1ccc(OC)cc1 ZINC001322805683 1141724942 /nfs/dbraw/zinc/72/49/42/1141724942.db2.gz JQSGKVUUQPMSHY-UHFFFAOYSA-N 0 3 310.825 2.428 20 30 DEEDHN C=C1CCC(C(=O)N[C@H](CNCc2cnn(C)c2)C2CC2)CC1 ZINC001323066161 1141808023 /nfs/dbraw/zinc/80/80/23/1141808023.db2.gz WRUKVCPRBZOMLC-QGZVFWFLSA-N 0 3 316.449 2.151 20 30 DEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001323312410 1141841002 /nfs/dbraw/zinc/84/10/02/1141841002.db2.gz YWABVWNBRVLIBL-ZBFHGGJFSA-N 0 3 316.449 2.306 20 30 DEEDHN C#CCNC1(CNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC001323489197 1141858767 /nfs/dbraw/zinc/85/87/67/1141858767.db2.gz HVGMPSGRSRMCBL-ZFWWWQNUSA-N 0 3 300.402 2.207 20 30 DEEDHN COCC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001323637987 1141872402 /nfs/dbraw/zinc/87/24/02/1141872402.db2.gz OGDLHAUECUPCGK-QZTJIDSGSA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCOCC(C)C)C1 ZINC001323637687 1141872744 /nfs/dbraw/zinc/87/27/44/1141872744.db2.gz MMADLGYQABHWRU-QZTJIDSGSA-N 0 3 320.477 2.385 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(OC)nc1)C1CC1 ZINC001421555024 1171845555 /nfs/dbraw/zinc/84/55/55/1171845555.db2.gz LQKQTCJYJMMOIO-MRXNPFEDSA-N 0 3 323.824 2.331 20 30 DEEDHN C=C[C@@H](COC)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001324031923 1141966982 /nfs/dbraw/zinc/96/69/82/1141966982.db2.gz JABHDEBXZHPFFB-INIZCTEOSA-N 0 3 323.412 2.100 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NCCCC ZINC001324207094 1142030563 /nfs/dbraw/zinc/03/05/63/1142030563.db2.gz OERUJPSCOGFWCM-CABCVRRESA-N 0 3 323.481 2.084 20 30 DEEDHN C=CCCCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC(C)(C)C ZINC001324222768 1142034706 /nfs/dbraw/zinc/03/47/06/1142034706.db2.gz RSVHVTSNMWMNAO-GJZGRUSLSA-N 0 3 323.481 2.227 20 30 DEEDHN C#CCN(C(=O)CC[C@H]1CCOC1)C1CCN(CC(=C)C)CC1 ZINC001324385072 1142066747 /nfs/dbraw/zinc/06/67/47/1142066747.db2.gz URNUDIOPYRMGNJ-KRWDZBQOSA-N 0 3 318.461 2.305 20 30 DEEDHN C#CCN(C(=O)[C@@H]1CC[C@H](CC)O1)C1CCN(CC=C)CC1 ZINC001324398099 1142070040 /nfs/dbraw/zinc/07/00/40/1142070040.db2.gz YWVCMLIJYROHTC-IRXDYDNUSA-N 0 3 304.434 2.056 20 30 DEEDHN C#CCN(C(=O)c1ccccc1OC)C1CCN(CC=C)CC1 ZINC001324440324 1142078021 /nfs/dbraw/zinc/07/80/21/1142078021.db2.gz VBONBHUDJAVOTG-UHFFFAOYSA-N 0 3 312.413 2.421 20 30 DEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1cccc(F)c1 ZINC001250810955 1142323492 /nfs/dbraw/zinc/32/34/92/1142323492.db2.gz WQVULUYBEJYHQG-DMRZNYOFSA-N 0 3 304.365 2.332 20 30 DEEDHN N#Cc1cccc(CNC[C@@H](O)COc2ccc(F)cc2F)c1 ZINC001250837611 1142331388 /nfs/dbraw/zinc/33/13/88/1142331388.db2.gz GKKSMBOXBIXYIW-OAHLLOKOSA-N 0 3 318.323 2.366 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC#N)cc2)CC1 ZINC001251689788 1142487532 /nfs/dbraw/zinc/48/75/32/1142487532.db2.gz FAASYUYZZFILLK-UHFFFAOYSA-N 0 3 314.389 2.361 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NCCC2CCOCC2)CC1 ZINC001251862901 1142526885 /nfs/dbraw/zinc/52/68/85/1142526885.db2.gz XUFIIRUOXJHVDO-UHFFFAOYSA-N 0 3 309.454 2.143 20 30 DEEDHN CC1(C)Nc2ccccc2[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC001337086209 1142679429 /nfs/dbraw/zinc/67/94/29/1142679429.db2.gz BQJUJPLMUHSRCH-ZFWWWQNUSA-N 0 3 300.406 2.459 20 30 DEEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC001337357889 1142736715 /nfs/dbraw/zinc/73/67/15/1142736715.db2.gz LWVCTFCBFUOYGY-CABCVRRESA-N 0 3 323.481 2.036 20 30 DEEDHN C=C[C@](C)(O)CN1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001252549673 1142759071 /nfs/dbraw/zinc/75/90/71/1142759071.db2.gz GSPXHDNDQFZTQB-IBGZPJMESA-N 0 3 324.428 2.236 20 30 DEEDHN CC(C)OC[C@@H](O)CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001252676588 1142806753 /nfs/dbraw/zinc/80/67/53/1142806753.db2.gz WSZDUMGQCPTAFI-FUHWJXTLSA-N 0 3 318.417 2.187 20 30 DEEDHN CC(C)OC[C@H](O)CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001252681757 1142807598 /nfs/dbraw/zinc/80/75/98/1142807598.db2.gz TUMXUZMMHNJZPT-AEFFLSMTSA-N 0 3 318.417 2.187 20 30 DEEDHN COc1ccc(OC[C@H](O)CNCc2ccc(C#N)s2)cc1 ZINC001252739254 1142813121 /nfs/dbraw/zinc/81/31/21/1142813121.db2.gz XEGHFZCINWIVMA-GFCCVEGCSA-N 0 3 318.398 2.158 20 30 DEEDHN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001278682177 1142815247 /nfs/dbraw/zinc/81/52/47/1142815247.db2.gz TXKYTKBOPCDSKN-SFHVURJKSA-N 0 3 301.434 2.487 20 30 DEEDHN COc1ccccc1OC[C@@H](O)CN1CCC[C@@H](C#N)CC1 ZINC001252887304 1142827762 /nfs/dbraw/zinc/82/77/62/1142827762.db2.gz FGAGXAJDLOPGPS-CABCVRRESA-N 0 3 304.390 2.061 20 30 DEEDHN C#CCOCCN(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC001253750263 1142907040 /nfs/dbraw/zinc/90/70/40/1142907040.db2.gz UZJUXKUIEDHCGQ-GOSISDBHSA-N 0 3 313.397 2.161 20 30 DEEDHN C=CCn1c(C2CCN(C)CC2)nnc1N(C)[C@H](C)CC#N ZINC001339096462 1142923563 /nfs/dbraw/zinc/92/35/63/1142923563.db2.gz XWNJSWLSOGGFGO-CYBMUJFWSA-N 0 3 302.426 2.012 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(C)cc1 ZINC001353203039 1151816387 /nfs/dbraw/zinc/81/63/87/1151816387.db2.gz KWCALCDOXMRFRB-CVEARBPZSA-N 0 3 318.417 2.399 20 30 DEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC001340032502 1143241294 /nfs/dbraw/zinc/24/12/94/1143241294.db2.gz CSAKYGQFUZSAGQ-CABCVRRESA-N 0 3 321.469 2.095 20 30 DEEDHN C#C[C@@H]1CCCCN1c1nnc([C@H]2CCCN(C)C2)n1CC=C ZINC001340207464 1143301631 /nfs/dbraw/zinc/30/16/31/1143301631.db2.gz QMAQGMBSGUFACP-JKSUJKDBSA-N 0 3 313.449 2.265 20 30 DEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(=C)CC1 ZINC001340443732 1143347490 /nfs/dbraw/zinc/34/74/90/1143347490.db2.gz KEVQTCMTKBCQJE-OAHLLOKOSA-N 0 3 301.438 2.430 20 30 DEEDHN C=CCn1c(N2CCN([C@H](C)CC)CC2)nnc1[C@@](C)(O)CC ZINC001340528432 1143365727 /nfs/dbraw/zinc/36/57/27/1143365727.db2.gz BZCXLLAQYVYQIT-PBHICJAKSA-N 0 3 321.469 2.002 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](CCC(=O)OCC)C1 ZINC001340666102 1143393447 /nfs/dbraw/zinc/39/34/47/1143393447.db2.gz DSRYPAFYWKKQIL-CABCVRRESA-N 0 3 310.438 2.252 20 30 DEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC001341041334 1143527935 /nfs/dbraw/zinc/52/79/35/1143527935.db2.gz JYWBXGVYJMDROG-HOTGVXAUSA-N 0 3 315.417 2.284 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC001341595865 1143634120 /nfs/dbraw/zinc/63/41/20/1143634120.db2.gz UGGJUJDDQHLBPG-OAHLLOKOSA-N 0 3 316.405 2.228 20 30 DEEDHN COC1CCC(N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001255462164 1143645535 /nfs/dbraw/zinc/64/55/35/1143645535.db2.gz WMZPXQWJTNVGEN-UHFFFAOYSA-N 0 3 300.406 2.033 20 30 DEEDHN C=CCN(C)C[C@H](O)CN(C)C(=O)C(C1CCC1)C1CCC1 ZINC001278868337 1143656006 /nfs/dbraw/zinc/65/60/06/1143656006.db2.gz ACRWHPOQUGVIAC-INIZCTEOSA-N 0 3 308.466 2.140 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCCN(c2ccccc2)CC1 ZINC001341673250 1143659851 /nfs/dbraw/zinc/65/98/51/1143659851.db2.gz ZPAWJPPRDJSQHC-QGZVFWFLSA-N 0 3 301.434 2.409 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001341826017 1143719307 /nfs/dbraw/zinc/71/93/07/1143719307.db2.gz QJXCEIWINHRDMB-IAGOWNOFSA-N 0 3 318.417 2.279 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001341918173 1143741574 /nfs/dbraw/zinc/74/15/74/1143741574.db2.gz LAWDPJLFPMGUGJ-IIAWOOMASA-N 0 3 306.406 2.349 20 30 DEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001341918174 1143741728 /nfs/dbraw/zinc/74/17/28/1143741728.db2.gz LAWDPJLFPMGUGJ-LZWOXQAQSA-N 0 3 306.406 2.349 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001278873215 1143767222 /nfs/dbraw/zinc/76/72/22/1143767222.db2.gz CVJBMCOXMSFJIL-RHSMWYFYSA-N 0 3 322.424 2.256 20 30 DEEDHN C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(C(C)(C)C)oc1C ZINC001278878858 1143800998 /nfs/dbraw/zinc/80/09/98/1143800998.db2.gz VKNNQBYAUQMWKB-CQSZACIVSA-N 0 3 322.449 2.436 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](COC)c1cccc(OC)c1 ZINC001342202839 1143802885 /nfs/dbraw/zinc/80/28/85/1143802885.db2.gz KNFWFMUOOLMZHV-CVEARBPZSA-N 0 3 306.406 2.183 20 30 DEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC001342316723 1143810951 /nfs/dbraw/zinc/81/09/51/1143810951.db2.gz UDSHASFDZRHHNC-CABCVRRESA-N 0 3 311.470 2.144 20 30 DEEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CC12CC(OCC)C2)C(C)C ZINC001278919082 1143834609 /nfs/dbraw/zinc/83/46/09/1143834609.db2.gz YURGJCHPQDDGMR-HFCFLWKCSA-N 0 3 320.477 2.384 20 30 DEEDHN COCCC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001278929474 1143842252 /nfs/dbraw/zinc/84/22/52/1143842252.db2.gz FXGFRFBYDCFHTK-KRWDZBQOSA-N 0 3 316.445 2.195 20 30 DEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCc2c(cccc2OC)C1)C(=O)N[O-] ZINC001256642342 1143859767 /nfs/dbraw/zinc/85/97/67/1143859767.db2.gz JEIQFDLRMZWXJE-RBOXIYTFSA-N 0 3 306.406 2.062 20 30 DEEDHN N#Cc1ccnc(N2CCN(C3CCC4(COC4)CC3)CC2)c1 ZINC001257908447 1143959926 /nfs/dbraw/zinc/95/99/26/1143959926.db2.gz IOSDNOYBJIGADE-UHFFFAOYSA-N 0 3 312.417 2.034 20 30 DEEDHN C=CCC[C@H](C)n1nc(C(=O)N2CC=CC2)c2c1CCNC2 ZINC001258728211 1144036692 /nfs/dbraw/zinc/03/66/92/1144036692.db2.gz MRVIXJIXFDPPSW-ZDUSSCGKSA-N 0 3 300.406 2.068 20 30 DEEDHN C=CCCCC(=O)N[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001299568820 1144078176 /nfs/dbraw/zinc/07/81/76/1144078176.db2.gz OGWCFNKWWTWZBC-FUHWJXTLSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCS(=O)(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC001259928185 1144159358 /nfs/dbraw/zinc/15/93/58/1144159358.db2.gz QAMLOCUCCDMPCF-UHFFFAOYSA-N 0 3 320.458 2.025 20 30 DEEDHN C=CCCC(=O)N1CCC(C)(CNC(=O)CN(C)CCC)CC1 ZINC001299669615 1144186022 /nfs/dbraw/zinc/18/60/22/1144186022.db2.gz ZMWXKQSTUYDIPJ-UHFFFAOYSA-N 0 3 323.481 2.039 20 30 DEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccn1 ZINC001261261577 1144228696 /nfs/dbraw/zinc/22/86/96/1144228696.db2.gz AHSNMJBBRXDCBG-XHSDSOJGSA-N 0 3 302.422 2.086 20 30 DEEDHN C=C[C@H](COC)NC[C@@H](O)c1ccccc1Br ZINC001261436950 1144247363 /nfs/dbraw/zinc/24/73/63/1144247363.db2.gz POBREPWUSKMANJ-ZWNOBZJWSA-N 0 3 300.196 2.273 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC001262359956 1144308923 /nfs/dbraw/zinc/30/89/23/1144308923.db2.gz QBMLUPNCTUCISS-UHFFFAOYSA-N 0 3 318.446 2.412 20 30 DEEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC001263111508 1144357005 /nfs/dbraw/zinc/35/70/05/1144357005.db2.gz FKZUHSDMEDWVAZ-DLBZAZTESA-N 0 3 317.433 2.273 20 30 DEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001263809123 1144397978 /nfs/dbraw/zinc/39/79/78/1144397978.db2.gz HUZCBVDRWVPRIT-AWEZNQCLSA-N 0 3 320.437 2.018 20 30 DEEDHN C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2conc2CC)C1 ZINC001263840257 1144408164 /nfs/dbraw/zinc/40/81/64/1144408164.db2.gz AWDMUABSRLUXBP-XBXGTLAGSA-N 0 3 305.422 2.434 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)COc2ccccc2Cl)[C@H]1C ZINC001264172767 1144494539 /nfs/dbraw/zinc/49/45/39/1144494539.db2.gz PWCQIHOHKUEOIR-OCCSQVGLSA-N 0 3 308.809 2.484 20 30 DEEDHN C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001264183008 1144500159 /nfs/dbraw/zinc/50/01/59/1144500159.db2.gz DZLREHAYMUWUBT-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O ZINC001264183008 1144500163 /nfs/dbraw/zinc/50/01/63/1144500163.db2.gz DZLREHAYMUWUBT-AWEZNQCLSA-N 0 3 318.421 2.075 20 30 DEEDHN CC(C)N1C[C@@H](c2ccccc2)[C@H](NC(=O)CSCC#N)C1 ZINC001264442127 1144540762 /nfs/dbraw/zinc/54/07/62/1144540762.db2.gz MIZDLCXWFSTJEF-JKSUJKDBSA-N 0 3 317.458 2.236 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCc1ccnc(C)n1 ZINC001264741905 1144604704 /nfs/dbraw/zinc/60/47/04/1144604704.db2.gz WDSNALIIHPDTKT-KRWDZBQOSA-N 0 3 316.449 2.217 20 30 DEEDHN CC#CCN(C)CCCNC(=O)[C@](C)(OC)c1ccccc1F ZINC001264995110 1144621946 /nfs/dbraw/zinc/62/19/46/1144621946.db2.gz UQWIBANTXOHCTH-GOSISDBHSA-N 0 3 320.408 2.149 20 30 DEEDHN C=CCNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)C(CC)CC ZINC001265079978 1144638986 /nfs/dbraw/zinc/63/89/86/1144638986.db2.gz MZOKSKJESPZJIB-GDBMZVCRSA-N 0 3 323.481 2.084 20 30 DEEDHN C#CCN(CCCNC(=O)[C@H]1CCO[C@@H](CCC)C1)C1CC1 ZINC001265180656 1144661508 /nfs/dbraw/zinc/66/15/08/1144661508.db2.gz YHMCIFDHVFRCKU-RDJZCZTQSA-N 0 3 306.450 2.186 20 30 DEEDHN CC#CCN(CCCNC(=O)c1cccnc1OCC)C1CC1 ZINC001265182511 1144662162 /nfs/dbraw/zinc/66/21/62/1144662162.db2.gz FLOZMQZLJIPIKF-UHFFFAOYSA-N 0 3 315.417 2.088 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC001265215265 1144669071 /nfs/dbraw/zinc/66/90/71/1144669071.db2.gz XAWCXZHXNBPJOU-HNNXBMFYSA-N 0 3 318.392 2.117 20 30 DEEDHN C=CCOCC(=O)N[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001265274949 1144680029 /nfs/dbraw/zinc/68/00/29/1144680029.db2.gz JVMLERCHDOQRTQ-DOTOQJQBSA-N 0 3 300.402 2.067 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC001265317867 1144693017 /nfs/dbraw/zinc/69/30/17/1144693017.db2.gz YXHBEJIDNIBGNB-INIZCTEOSA-N 0 3 302.418 2.449 20 30 DEEDHN O=C(C#CC1CC1)NC[C@H](NCc1cccc(Cl)n1)C1CC1 ZINC001265354608 1144697632 /nfs/dbraw/zinc/69/76/32/1144697632.db2.gz RDRBTMYBHMNQGM-HNNXBMFYSA-N 0 3 317.820 2.133 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CN(C)[C@@H](CC)C(N)=O)C1 ZINC001265392654 1144701400 /nfs/dbraw/zinc/70/14/00/1144701400.db2.gz JBVILFZHFWBEGQ-GJZGRUSLSA-N 0 3 323.481 2.023 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001265410446 1144702650 /nfs/dbraw/zinc/70/26/50/1144702650.db2.gz VWZXXHWSVUZBHK-QSAAJNHFSA-N 0 3 316.445 2.051 20 30 DEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)C1 ZINC001265427214 1144703690 /nfs/dbraw/zinc/70/36/90/1144703690.db2.gz AJUWCIGXTKVXSM-AWEZNQCLSA-N 0 3 305.809 2.229 20 30 DEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2(CCF)CC2)C1 ZINC001265523333 1144708866 /nfs/dbraw/zinc/70/88/66/1144708866.db2.gz KDTHTUZDMRHHGQ-HOTGVXAUSA-N 0 3 306.425 2.462 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001265586490 1144715294 /nfs/dbraw/zinc/71/52/94/1144715294.db2.gz IDHSKNDMVAIPKX-IRXDYDNUSA-N 0 3 318.461 2.187 20 30 DEEDHN C#CCN1CCC[C@H](CNC(=O)CCc2ccccc2F)C1 ZINC001265596659 1144716494 /nfs/dbraw/zinc/71/64/94/1144716494.db2.gz HTIIJAFHDIJIBO-OAHLLOKOSA-N 0 3 302.393 2.220 20 30 DEEDHN CC(C)C#CC(=O)N1CCC[C@H](CN[C@@H](C)c2cnccn2)C1 ZINC001265609502 1144717689 /nfs/dbraw/zinc/71/76/89/1144717689.db2.gz QRGBCRDCVBUSHH-JKSUJKDBSA-N 0 3 314.433 2.025 20 30 DEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1n[nH]c2ccccc21 ZINC001265657786 1144723765 /nfs/dbraw/zinc/72/37/65/1144723765.db2.gz KPAFANZEFMYUFP-CQSZACIVSA-N 0 3 312.417 2.262 20 30 DEEDHN C=CCCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)NC(C)(C)C ZINC001265663577 1144724388 /nfs/dbraw/zinc/72/43/88/1144724388.db2.gz JDXXVYMKVQXMSP-LSDHHAIUSA-N 0 3 323.481 2.227 20 30 DEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cc2ccc(C)o2)C1 ZINC001265699415 1144730742 /nfs/dbraw/zinc/73/07/42/1144730742.db2.gz FAXHWWWBGLRSTQ-HZPDHXFCSA-N 0 3 302.418 2.371 20 30 DEEDHN CC/C=C(/C)C(=O)N[C@H](C)[C@@H]1CCCN(CC#CCOC)C1 ZINC001265699681 1144730910 /nfs/dbraw/zinc/73/09/10/1144730910.db2.gz HVTFLKYLZWAVGE-CBNFBOEASA-N 0 3 306.450 2.209 20 30 DEEDHN C#CCCCC(=O)NC[C@@H](C)NCc1ccccc1N(C)C ZINC001265769632 1144739582 /nfs/dbraw/zinc/73/95/82/1144739582.db2.gz ZFGHLALNCFGHKV-OAHLLOKOSA-N 0 3 301.434 2.150 20 30 DEEDHN CC#CCN[C@@H](C)CNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001265792765 1144741671 /nfs/dbraw/zinc/74/16/71/1144741671.db2.gz UTXBYOSDHJJAPT-ZDUSSCGKSA-N 0 3 304.438 2.284 20 30 DEEDHN CC#CCN(C)CCCNC(=O)Cc1ccc2c(c1)CCCO2 ZINC001265866134 1144749199 /nfs/dbraw/zinc/74/91/99/1144749199.db2.gz IFOICPWGLOVXKD-UHFFFAOYSA-N 0 3 314.429 2.016 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(COC(C)C)cc2)C1 ZINC001265945767 1144765430 /nfs/dbraw/zinc/76/54/30/1144765430.db2.gz XDUGIEJEFOENAY-SFHVURJKSA-N 0 3 314.429 2.439 20 30 DEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001265947481 1144766088 /nfs/dbraw/zinc/76/60/88/1144766088.db2.gz MRWSGKMTWNJQLN-OCCSQVGLSA-N 0 3 306.356 2.282 20 30 DEEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1cn(C)nc1C ZINC001266069794 1144802377 /nfs/dbraw/zinc/80/23/77/1144802377.db2.gz AWNYYYJSRVHWIX-UHFFFAOYSA-N 0 3 306.454 2.269 20 30 DEEDHN C#CCN(CCCNC(=O)c1ccnn1[C@H](C)CC)C1CC1 ZINC001266141904 1144809207 /nfs/dbraw/zinc/80/92/07/1144809207.db2.gz ZIIRFLDFHUSKAK-CQSZACIVSA-N 0 3 302.422 2.072 20 30 DEEDHN C=CCCCC(=O)N(C)C1CC(N[C@H](C)c2cnccn2)C1 ZINC001279280397 1144820162 /nfs/dbraw/zinc/82/01/62/1144820162.db2.gz JITOGIUCKQQUAJ-WLYUNCDWSA-N 0 3 302.422 2.473 20 30 DEEDHN C#CCCCCC(=O)N1C[C@H]2CN(Cc3cnoc3C)C[C@H]2C1 ZINC001279355814 1144821276 /nfs/dbraw/zinc/82/12/76/1144821276.db2.gz BMPNJWGOOAVWEX-CALCHBBNSA-N 0 3 315.417 2.067 20 30 DEEDHN CCC(CC)[C@@H](C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@H]2C1 ZINC001279381289 1144821643 /nfs/dbraw/zinc/82/16/43/1144821643.db2.gz ZOFVPGLEVGWTNI-NXHRZFHOSA-N 0 3 320.477 2.099 20 30 DEEDHN C=CCCN1CCC[C@](CO)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001279509217 1144823403 /nfs/dbraw/zinc/82/34/03/1144823403.db2.gz INZLVAJMRXDQFC-YOEHRIQHSA-N 0 3 322.474 2.371 20 30 DEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2ccn(CC)n2)C1 ZINC001280054896 1144831387 /nfs/dbraw/zinc/83/13/87/1144831387.db2.gz ZJMZISITOFWCEA-AWEZNQCLSA-N 0 3 324.856 2.026 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2c[nH]nc2C)cc1 ZINC001280354030 1144836326 /nfs/dbraw/zinc/83/63/26/1144836326.db2.gz HJTVNXNBBUYVNW-CYBMUJFWSA-N 0 3 310.401 2.322 20 30 DEEDHN CC#CCNC1(CNC(=O)c2c(F)ccc(F)c2F)CCC1 ZINC001280499716 1144842741 /nfs/dbraw/zinc/84/27/41/1144842741.db2.gz NHRGTBYXSFWZED-UHFFFAOYSA-N 0 3 310.319 2.369 20 30 DEEDHN CC#CCNC[C@@H]1CN(C(=O)C2(CC(C)C)CCCC2)CCO1 ZINC001280646997 1144848090 /nfs/dbraw/zinc/84/80/90/1144848090.db2.gz CRANPHZJORCUDO-QGZVFWFLSA-N 0 3 320.477 2.433 20 30 DEEDHN CC#CCNC[C@H]1CN(C(=O)c2ccc3ccccc3c2)CCO1 ZINC001280660340 1144848340 /nfs/dbraw/zinc/84/83/40/1144848340.db2.gz WCDULWCIVBWWMV-IBGZPJMESA-N 0 3 322.408 2.294 20 30 DEEDHN C#CCN(C)CCCN(C)C(=O)c1ccnn1C(CC)CC ZINC001280823703 1144858362 /nfs/dbraw/zinc/85/83/62/1144858362.db2.gz XOMPDDONJBLCQF-UHFFFAOYSA-N 0 3 304.438 2.271 20 30 DEEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCC[C@H](C)O)CC1 ZINC001316607051 1144861841 /nfs/dbraw/zinc/86/18/41/1144861841.db2.gz QOAPWGVAGFOKFC-DOTOQJQBSA-N 0 3 308.466 2.427 20 30 DEEDHN C=C(C)CCC(=O)N(C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001281019246 1144868805 /nfs/dbraw/zinc/86/88/05/1144868805.db2.gz YCXMDNVQIMSUFY-CQSZACIVSA-N 0 3 311.470 2.036 20 30 DEEDHN C=CCOCCN1CC[C@@H](NC(=O)c2cc(C)no2)C(C)(C)C1 ZINC001281537809 1144895412 /nfs/dbraw/zinc/89/54/12/1144895412.db2.gz ZGEXKNJCNVRKEU-OAHLLOKOSA-N 0 3 321.421 2.016 20 30 DEEDHN C=CCC[C@H](C)N1CC(N2CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC001281578400 1144898358 /nfs/dbraw/zinc/89/83/58/1144898358.db2.gz UBNPAIJSAJELBP-CGZBRXJRSA-N 0 3 319.493 2.216 20 30 DEEDHN C#CCOCCC(=O)NC[C@@H]1c2ccccc2CCN1C(C)C ZINC001281775633 1144913070 /nfs/dbraw/zinc/91/30/70/1144913070.db2.gz CMGCOIDRGIEUEP-GOSISDBHSA-N 0 3 314.429 2.150 20 30 DEEDHN CC/C=C\CCN1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001281784501 1144914077 /nfs/dbraw/zinc/91/40/77/1144914077.db2.gz VNAKGVBWUMOAKB-YIEVGGLXSA-N 0 3 319.449 2.196 20 30 DEEDHN C#CCCN1CCC(CO)(NC(=O)[C@@H](CC)CCCC)CC1 ZINC001281798520 1144914650 /nfs/dbraw/zinc/91/46/50/1144914650.db2.gz DQBHFCXVJIPQSP-INIZCTEOSA-N 0 3 308.466 2.169 20 30 DEEDHN C=C(C)CCC(=O)NC1(CO)CCN(Cc2ccccc2)CC1 ZINC001281808799 1144914857 /nfs/dbraw/zinc/91/48/57/1144914857.db2.gz RPGXEZZKFNYVAY-UHFFFAOYSA-N 0 3 316.445 2.486 20 30 DEEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)COc1cc(F)cc(F)c1 ZINC001281967409 1144925178 /nfs/dbraw/zinc/92/51/78/1144925178.db2.gz GXZDPNRRCAWSFG-HNNXBMFYSA-N 0 3 324.371 2.452 20 30 DEEDHN Cc1conc1C(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC001282215076 1145014981 /nfs/dbraw/zinc/01/49/81/1145014981.db2.gz PNWAOWPXPZFISM-GJZGRUSLSA-N 0 3 311.385 2.131 20 30 DEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001282411919 1145063505 /nfs/dbraw/zinc/06/35/05/1145063505.db2.gz LAYYDMXTVRXKLI-PBHICJAKSA-N 0 3 302.418 2.427 20 30 DEEDHN C=CCC[NH2+][C@H](CCN(C)C(=O)c1c(C)nc[n-]c1=O)C(C)C ZINC001282562070 1145087580 /nfs/dbraw/zinc/08/75/80/1145087580.db2.gz LTXXABUBUXXAJB-CQSZACIVSA-N 0 3 320.437 2.143 20 30 DEEDHN CCCC[C@H](CNCc1cncc(F)c1)NC(=O)C#CC1CC1 ZINC001282638254 1145103544 /nfs/dbraw/zinc/10/35/44/1145103544.db2.gz FXNREDVLOFNRDI-QGZVFWFLSA-N 0 3 317.408 2.399 20 30 DEEDHN CC(C)C#CC(=O)N[C@@H](C)C1CN(CCc2cccs2)C1 ZINC001282706578 1145136135 /nfs/dbraw/zinc/13/61/35/1145136135.db2.gz NKXLTZPDBUYEJX-AWEZNQCLSA-N 0 3 304.459 2.387 20 30 DEEDHN C=CCOCCN1CC([C@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001282735430 1145152583 /nfs/dbraw/zinc/15/25/83/1145152583.db2.gz ZTNOJZWZVFSETH-AWEZNQCLSA-N 0 3 319.449 2.391 20 30 DEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCc2cc(F)ccc2F)C1 ZINC001282737419 1145154878 /nfs/dbraw/zinc/15/48/78/1145154878.db2.gz BBIYKDHDIRMFQM-CYBMUJFWSA-N 0 3 320.383 2.357 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3ccccc3C)[C@@H]2C1 ZINC001282896647 1145193002 /nfs/dbraw/zinc/19/30/02/1145193002.db2.gz WDMLUGGGMIJEIB-AFYVEPGGSA-N 0 3 324.468 2.491 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCNCc1cc(C2CC2)no1 ZINC001283146992 1145289377 /nfs/dbraw/zinc/28/93/77/1145289377.db2.gz UMYRIKOQXLSNMS-RYUDHWBXSA-N 0 3 304.394 2.086 20 30 DEEDHN C=C1CC(C)(C(=O)N(C)C[C@H](C)NCC(=O)NC(CC)CC)C1 ZINC001283663508 1145567885 /nfs/dbraw/zinc/56/78/85/1145567885.db2.gz OLBJQHDLAHXTAL-AWEZNQCLSA-N 0 3 323.481 2.084 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001283689476 1145588027 /nfs/dbraw/zinc/58/80/27/1145588027.db2.gz AUIQINQFVDYSNX-OAHLLOKOSA-N 0 3 311.429 2.479 20 30 DEEDHN CC#CCN[C@H](C)CN(C)C(=O)CCc1nc2ccccc2o1 ZINC001283713509 1145611553 /nfs/dbraw/zinc/61/15/53/1145611553.db2.gz JTNZIEJLBICARF-CQSZACIVSA-N 0 3 313.401 2.220 20 30 DEEDHN COCC#CCN[C@@H](C)CN(C)C(=O)c1ccoc1C(C)C ZINC001283720284 1145615995 /nfs/dbraw/zinc/61/59/95/1145615995.db2.gz BGYNYEAMMFZWBQ-AWEZNQCLSA-N 0 3 306.406 2.103 20 30 DEEDHN C=C(C)CCC(=O)NC[C@H](CO)NCc1cc(C)ccc1C ZINC001283759177 1145633817 /nfs/dbraw/zinc/63/38/17/1145633817.db2.gz FLRUOXGGACLTRM-QGZVFWFLSA-N 0 3 304.434 2.226 20 30 DEEDHN C#Cc1ccc(C(=O)NC[C@@H](CO)N[C@@H](C)c2ccccc2)cc1 ZINC001283792936 1145649081 /nfs/dbraw/zinc/64/90/81/1145649081.db2.gz QEOVKJJAWMLBAJ-KXBFYZLASA-N 0 3 322.408 2.109 20 30 DEEDHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3cnccc3c2)C1 ZINC001284014527 1145751423 /nfs/dbraw/zinc/75/14/23/1145751423.db2.gz BSOSXQPTOGFWFF-KSSFIOAISA-N 0 3 307.397 2.451 20 30 DEEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3ccncc3c2)C1 ZINC001284015624 1145752722 /nfs/dbraw/zinc/75/27/22/1145752722.db2.gz GCHRPFPYLOVQIB-RDTXWAMCSA-N 0 3 307.397 2.451 20 30 DEEDHN C#CCN1CC[C@@]2(NC(=O)CC3(C(F)(F)F)CC3)CCC[C@H]12 ZINC001284055939 1145777249 /nfs/dbraw/zinc/77/72/49/1145777249.db2.gz DBPLEFKRGTWKQB-WFASDCNBSA-N 0 3 314.351 2.465 20 30 DEEDHN C#CCOCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC001284130704 1145805238 /nfs/dbraw/zinc/80/52/38/1145805238.db2.gz XCGRCPPHLKRYRO-SJLPKXTDSA-N 0 3 314.429 2.196 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001284208612 1145818348 /nfs/dbraw/zinc/81/83/48/1145818348.db2.gz IDGJMMZYMOXZJR-HUUCEWRRSA-N 0 3 318.465 2.397 20 30 DEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC001284311899 1145834818 /nfs/dbraw/zinc/83/48/18/1145834818.db2.gz GIFPCDNLRPVHOQ-KBPBESRZSA-N 0 3 319.453 2.042 20 30 DEEDHN COCC#CCN[C@H]1CN(C(=O)CCC2(C)CC2)CC1(C)C ZINC001284334595 1145838447 /nfs/dbraw/zinc/83/84/47/1145838447.db2.gz FIXRVMDQUSHZAK-HNNXBMFYSA-N 0 3 306.450 2.043 20 30 DEEDHN C=CCN(C)CCN(C(=O)c1n[nH]c2c1CCCC2)C(C)C ZINC001284545117 1145869365 /nfs/dbraw/zinc/86/93/65/1145869365.db2.gz YOIPOZATDOAUPN-UHFFFAOYSA-N 0 3 304.438 2.257 20 30 DEEDHN C=CCC[NH2+]C[C@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC001284590345 1145875463 /nfs/dbraw/zinc/87/54/63/1145875463.db2.gz OBJJMQHJUOOZTN-AWEZNQCLSA-N 0 3 315.421 2.268 20 30 DEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001284679926 1145889719 /nfs/dbraw/zinc/88/97/19/1145889719.db2.gz HQHLJYZCHFPANS-LSDHHAIUSA-N 0 3 323.481 2.036 20 30 DEEDHN C[C@H](NC(=O)C#CC1CC1)C1CCN(Cc2cccnc2)CC1 ZINC001284712888 1145894301 /nfs/dbraw/zinc/89/43/01/1145894301.db2.gz UCCSWFBMAJEEST-HNNXBMFYSA-N 0 3 311.429 2.212 20 30 DEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001285172868 1146037840 /nfs/dbraw/zinc/03/78/40/1146037840.db2.gz FTPXTKQWVIOQOU-WKILWMFISA-N 0 3 323.481 2.227 20 30 DEEDHN C=CCCCC(=O)NC[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001286139922 1146457836 /nfs/dbraw/zinc/45/78/36/1146457836.db2.gz ITMFXCBUYOWGKI-YJBOKZPZSA-N 0 3 323.481 2.038 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1ncccn1 ZINC001365921271 1146909464 /nfs/dbraw/zinc/90/94/64/1146909464.db2.gz AZFSVBDARDMTHF-QWHCGFSZSA-N 0 3 308.813 2.202 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001365945482 1146935925 /nfs/dbraw/zinc/93/59/25/1146935925.db2.gz PHZYJDIENUWYEX-UKRRQHHQSA-N 0 3 305.447 2.421 20 30 DEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)C1 ZINC001491939660 1147009027 /nfs/dbraw/zinc/00/90/27/1147009027.db2.gz UOJWCMLGNBAQJK-CQSZACIVSA-N 0 3 315.417 2.113 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 ZINC001491961909 1147021533 /nfs/dbraw/zinc/02/15/33/1147021533.db2.gz BPWRJHXTAIVCCY-HNNXBMFYSA-N 0 3 318.392 2.151 20 30 DEEDHN Cc1coc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)c1 ZINC001366315997 1147207511 /nfs/dbraw/zinc/20/75/11/1147207511.db2.gz NQGAPQKRVFDDSK-LLVKDONJSA-N 0 3 303.387 2.429 20 30 DEEDHN C[C@@H](CCNC(=O)[C@H]1CC1(F)F)NCc1ccccc1C#N ZINC001366460625 1147294693 /nfs/dbraw/zinc/29/46/93/1147294693.db2.gz UJNVYVYOLIYTFF-SMDDNHRTSA-N 0 3 307.344 2.198 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001366483232 1147303785 /nfs/dbraw/zinc/30/37/85/1147303785.db2.gz CVGAZAJBZLPRJI-VHDGCEQUSA-N 0 3 307.825 2.422 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(-n2cncn2)c1 ZINC001308488753 1147475627 /nfs/dbraw/zinc/47/56/27/1147475627.db2.gz GYIGFQPDUSJLAP-UHFFFAOYSA-N 0 3 318.384 2.441 20 30 DEEDHN COCC#CCN1CC[C@@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001316809042 1147582047 /nfs/dbraw/zinc/58/20/47/1147582047.db2.gz ZZGCYYZTUBFECT-NVXWUHKLSA-N 0 3 320.477 2.289 20 30 DEEDHN C=C[C@](C)(CC)C(=O)N1CCCCC[C@@H](NCC(=O)NCC)C1 ZINC001316771718 1147596683 /nfs/dbraw/zinc/59/66/83/1147596683.db2.gz IFLQOXCEMWMZLN-CRAIPNDOSA-N 0 3 323.481 2.086 20 30 DEEDHN C=C(Cl)CN(CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001316923328 1147632193 /nfs/dbraw/zinc/63/21/93/1147632193.db2.gz FNPMNDGLHWNLIR-CYBMUJFWSA-N 0 3 313.873 2.051 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001316953003 1147638492 /nfs/dbraw/zinc/63/84/92/1147638492.db2.gz IRKASNMYDRPKLU-ROUUACIJSA-N 0 3 315.461 2.446 20 30 DEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001316987779 1147644655 /nfs/dbraw/zinc/64/46/55/1147644655.db2.gz VMKAVGLVWYQDDL-KBPBESRZSA-N 0 3 316.392 2.205 20 30 DEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001317007177 1147647459 /nfs/dbraw/zinc/64/74/59/1147647459.db2.gz NPFNUZKZICQQEV-SJORKVTESA-N 0 3 318.461 2.186 20 30 DEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001317049994 1147653401 /nfs/dbraw/zinc/65/34/01/1147653401.db2.gz WLVLYKMGYNCHLP-JJTUDDRGSA-N 0 3 304.434 2.195 20 30 DEEDHN Cc1nc(C)c(C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)o1 ZINC001317072813 1147656505 /nfs/dbraw/zinc/65/65/05/1147656505.db2.gz HIDUBEINRUBFGJ-QAQDUYKDSA-N 0 3 323.396 2.194 20 30 DEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](N[C@@H](C)c2cnc(C)cn2)C1 ZINC001317083967 1147657816 /nfs/dbraw/zinc/65/78/16/1147657816.db2.gz VTEZFXBSKWJFCY-IHRRRGAJSA-N 0 3 302.422 2.295 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001367169681 1147659558 /nfs/dbraw/zinc/65/95/58/1147659558.db2.gz ADWJLIAYHXWGSS-HNNXBMFYSA-N 0 3 306.797 2.127 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001367170387 1147659909 /nfs/dbraw/zinc/65/99/09/1147659909.db2.gz XRQSAHMINVSMQL-IUODEOHRSA-N 0 3 300.830 2.040 20 30 DEEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001317107911 1147660434 /nfs/dbraw/zinc/66/04/34/1147660434.db2.gz HNPDGCNDUDLPLU-OAGGEKHMSA-N 0 3 314.433 2.276 20 30 DEEDHN COCCCCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317108637 1147660489 /nfs/dbraw/zinc/66/04/89/1147660489.db2.gz VQKFMIQNAJXLPN-HDICACEKSA-N 0 3 314.429 2.092 20 30 DEEDHN O=C(N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)C1(C2CC2)CC1 ZINC001317111566 1147661012 /nfs/dbraw/zinc/66/10/12/1147661012.db2.gz IGNVSTSZONPSDF-HDICACEKSA-N 0 3 308.425 2.465 20 30 DEEDHN Cc1cnoc1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001367283386 1147673673 /nfs/dbraw/zinc/67/36/73/1147673673.db2.gz RTRKMSRWVUEZJA-LBPRGKRZSA-N 0 3 312.373 2.010 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCOCC ZINC001317199997 1147675247 /nfs/dbraw/zinc/67/52/47/1147675247.db2.gz WTZNIYLDAXNABB-DLBZAZTESA-N 0 3 306.450 2.282 20 30 DEEDHN C=CCCOCC(=O)N1CCCC[C@@H]1CNCc1cncs1 ZINC001317199868 1147675350 /nfs/dbraw/zinc/67/53/50/1147675350.db2.gz WGHBUUZGLHSEJT-CQSZACIVSA-N 0 3 323.462 2.207 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)CCn2cc(C)cn2)CCCC1 ZINC001367332630 1147679487 /nfs/dbraw/zinc/67/94/87/1147679487.db2.gz VGQFSRYMOLEBFX-UHFFFAOYSA-N 0 3 324.856 2.353 20 30 DEEDHN C=CC[C@@H](C(=O)NC[C@H](C)NCC#CCOC)c1ccccc1 ZINC001317286060 1147685878 /nfs/dbraw/zinc/68/58/78/1147685878.db2.gz CJCQMMNVEPOERD-FUHWJXTLSA-N 0 3 314.429 2.090 20 30 DEEDHN C=CCC1(C(=O)NC[C@H](C)NCC(=O)NC(C)C)CCCCC1 ZINC001317293811 1147686727 /nfs/dbraw/zinc/68/67/27/1147686727.db2.gz IOZMWXLMAJLRBT-HNNXBMFYSA-N 0 3 323.481 2.132 20 30 DEEDHN Cc1nc(C)c(CN[C@@H]2CCC[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001317355952 1147695411 /nfs/dbraw/zinc/69/54/11/1147695411.db2.gz ZPMXZFIMTFMUMA-CVEARBPZSA-N 0 3 315.417 2.222 20 30 DEEDHN C=C(Br)CN[C@H](CNC(=O)C(C)(F)F)C(C)C ZINC001367451019 1147695446 /nfs/dbraw/zinc/69/54/46/1147695446.db2.gz DJSWCZPUIQKOTE-SECBINFHSA-N 0 3 313.186 2.281 20 30 DEEDHN C#CCCN(C)CCNC(=O)Cc1ccccc1OC(C)C ZINC001317464829 1147712507 /nfs/dbraw/zinc/71/25/07/1147712507.db2.gz GJMIXBXRRKKPST-UHFFFAOYSA-N 0 3 302.418 2.088 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1c(OC)cccc1OC ZINC001317501776 1147716091 /nfs/dbraw/zinc/71/60/91/1147716091.db2.gz OHXBJZJHYPCQEK-AWEZNQCLSA-N 0 3 318.417 2.013 20 30 DEEDHN COCC#CCN1CC[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001317534111 1147721370 /nfs/dbraw/zinc/72/13/70/1147721370.db2.gz INGYZAVPDXBATF-KRWDZBQOSA-N 0 3 314.429 2.005 20 30 DEEDHN CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)c1ccccc1[O-] ZINC001317571938 1147727235 /nfs/dbraw/zinc/72/72/35/1147727235.db2.gz YRTNYXHCEBEMKA-UHFFFAOYSA-N 0 3 309.369 2.126 20 30 DEEDHN CCc1[nH]ccc1C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001317582759 1147728964 /nfs/dbraw/zinc/72/89/64/1147728964.db2.gz GVWBBKXDEXDPGD-UHFFFAOYSA-N 0 3 310.401 2.311 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)C1(CCF)CC1 ZINC001367744743 1147736098 /nfs/dbraw/zinc/73/60/98/1147736098.db2.gz ADEFNIMYUOOZIT-NSHDSACASA-N 0 3 309.410 2.354 20 30 DEEDHN COc1cccc(C(=O)N(C)CCNCc2cccc(C#N)c2)c1 ZINC001317653064 1147739356 /nfs/dbraw/zinc/73/93/56/1147739356.db2.gz BLERFZQGRVDVDC-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CCO[C@H]1CC)c1ccccc1 ZINC001317721907 1147747342 /nfs/dbraw/zinc/74/73/42/1147747342.db2.gz KMIOAFIWNUOCQB-KURKYZTESA-N 0 3 314.429 2.272 20 30 DEEDHN C=CCN[C@H](CNC(=O)[C@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC001317727182 1147747638 /nfs/dbraw/zinc/74/76/38/1147747638.db2.gz LRWQOQITABIVDJ-MAUKXSAKSA-N 0 3 324.428 2.148 20 30 DEEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)Cc1ccco1 ZINC001367851102 1147760879 /nfs/dbraw/zinc/76/08/79/1147760879.db2.gz QJKGVCGQFJVCAG-AWEZNQCLSA-N 0 3 311.385 2.330 20 30 DEEDHN CC#CCCCC(=O)N[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC001317943786 1147762480 /nfs/dbraw/zinc/76/24/80/1147762480.db2.gz VOKDOIQMJJCRBI-SJORKVTESA-N 0 3 306.450 2.330 20 30 DEEDHN C=CCOCC(=O)N[C@@H]1CCN([C@@H](C)c2cccc(C)c2)C1 ZINC001318319937 1147810845 /nfs/dbraw/zinc/81/08/45/1147810845.db2.gz PGCOGBSMRIYXIK-DOTOQJQBSA-N 0 3 302.418 2.449 20 30 DEEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001318351793 1147814302 /nfs/dbraw/zinc/81/43/02/1147814302.db2.gz WDHBKYPQVLTJQG-QGZVFWFLSA-N 0 3 302.418 2.226 20 30 DEEDHN CC(F)(F)C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC001367985020 1147817523 /nfs/dbraw/zinc/81/75/23/1147817523.db2.gz RLYLRUQMIUZTGJ-UHFFFAOYSA-N 0 3 311.307 2.091 20 30 DEEDHN C#CCN1CCC(C)(CNC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC001324864729 1147854129 /nfs/dbraw/zinc/85/41/29/1147854129.db2.gz SGGQCPMFXUQFEI-UHFFFAOYSA-N 0 3 316.449 2.009 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001325114442 1147877079 /nfs/dbraw/zinc/87/70/79/1147877079.db2.gz MGQYHAWQSAOPJE-GOSISDBHSA-N 0 3 306.450 2.086 20 30 DEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001325127648 1147878551 /nfs/dbraw/zinc/87/85/51/1147878551.db2.gz WUYADKVKZCXZHK-QGZVFWFLSA-N 0 3 322.836 2.391 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001325614789 1147963465 /nfs/dbraw/zinc/96/34/65/1147963465.db2.gz IELBTLUSBGLBSQ-SJORKVTESA-N 0 3 317.433 2.324 20 30 DEEDHN C=C[C@H](COC)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001325633550 1147970474 /nfs/dbraw/zinc/97/04/74/1147970474.db2.gz AOZGGVJDUPLUBU-DJIMGWMZSA-N 0 3 317.433 2.322 20 30 DEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H](C)n1ccnc1 ZINC001325701662 1147986016 /nfs/dbraw/zinc/98/60/16/1147986016.db2.gz NPWSDDITNZGXGK-KRWDZBQOSA-N 0 3 324.428 2.086 20 30 DEEDHN C=C(C)CCN1CCC[C@@](CO)(NC(=O)c2cc(C)oc2C)C1 ZINC001325817397 1148003065 /nfs/dbraw/zinc/00/30/65/1148003065.db2.gz HYMZRTCNBWPDQN-GOSISDBHSA-N 0 3 320.433 2.419 20 30 DEEDHN C=C[C@@H](COC)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001325881797 1148013288 /nfs/dbraw/zinc/01/32/88/1148013288.db2.gz YFXRLIMHARWJGI-STQMWFEESA-N 0 3 319.323 2.236 20 30 DEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2ccncc2F)cc1 ZINC001326468691 1148107609 /nfs/dbraw/zinc/10/76/09/1148107609.db2.gz NNPQYEAPAMCTOV-CYBMUJFWSA-N 0 3 311.360 2.435 20 30 DEEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)c2n[nH]cc2C)cc1 ZINC001326469582 1148109342 /nfs/dbraw/zinc/10/93/42/1148109342.db2.gz VGKOOTSSTWIHDP-CQSZACIVSA-N 0 3 310.401 2.322 20 30 DEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2[nH]c(C)nc2C)cc1 ZINC001326481575 1148109933 /nfs/dbraw/zinc/10/99/33/1148109933.db2.gz RYTFPULHDWDCOM-LBPRGKRZSA-N 0 3 310.401 2.240 20 30 DEEDHN CC#CCNC1(CNC(=O)C(C)(C)[C@@H]2CCCCO2)CCC1 ZINC001326823211 1148260770 /nfs/dbraw/zinc/26/07/70/1148260770.db2.gz TYTIXIAJVZGNSD-HNNXBMFYSA-N 0 3 306.450 2.234 20 30 DEEDHN C#CCNC1(CNC(=O)Cc2ccc3cnccc3c2)CCC1 ZINC001326855052 1148271296 /nfs/dbraw/zinc/27/12/96/1148271296.db2.gz HRUHBQIUNFBHQJ-UHFFFAOYSA-N 0 3 307.397 2.039 20 30 DEEDHN COCC#CCNC1(CNC(=O)C2(CC(C)C)CCC2)CCC1 ZINC001326856570 1148271749 /nfs/dbraw/zinc/27/17/49/1148271749.db2.gz SQXGWFUWEWFNBC-UHFFFAOYSA-N 0 3 320.477 2.481 20 30 DEEDHN CC#CCNC1(CNC(=O)c2csc(C3CC3)n2)CCC1 ZINC001326937106 1148293993 /nfs/dbraw/zinc/29/39/93/1148293993.db2.gz GMPFIKWSQABQCX-UHFFFAOYSA-N 0 3 303.431 2.286 20 30 DEEDHN COCC#CCNC1(CNC(=O)[C@@H]2CC3CCC2CC3)CCC1 ZINC001326938277 1148295493 /nfs/dbraw/zinc/29/54/93/1148295493.db2.gz UZPOZWGPMXJEHO-OFLPRAFFSA-N 0 3 318.461 2.091 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)Oc2cccc(F)c2)CC1 ZINC001327125721 1148331793 /nfs/dbraw/zinc/33/17/93/1148331793.db2.gz LBLVHFYWTXSJLZ-HOCLYGCPSA-N 0 3 318.392 2.197 20 30 DEEDHN C#CCN1CCC[C@H](NC(=O)CCc2c(C)noc2Cl)CC1 ZINC001327174138 1148341981 /nfs/dbraw/zinc/34/19/81/1148341981.db2.gz XIJLOXRPVYMTJF-ZDUSSCGKSA-N 0 3 323.824 2.173 20 30 DEEDHN Cc1[nH]nc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1C#N ZINC000278549974 214229551 /nfs/dbraw/zinc/22/95/51/214229551.db2.gz GNZLKVNOURIWFD-OAHLLOKOSA-N 0 3 323.400 2.441 20 30 DEEDHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000433875900 282148350 /nfs/dbraw/zinc/14/83/50/282148350.db2.gz AWPQTOKROAHXRH-UHFFFAOYSA-N 0 3 321.446 2.063 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H]1C)C(C)C ZINC000079440311 185171607 /nfs/dbraw/zinc/17/16/07/185171607.db2.gz SVWWVJMEPMMVTR-HZPDHXFCSA-N 0 3 309.454 2.115 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@H](C)C1)C(C)C ZINC000079440179 185171797 /nfs/dbraw/zinc/17/17/97/185171797.db2.gz YKDMOPUSECRLHL-CVEARBPZSA-N 0 3 309.454 2.115 20 30 DEEDHN Cc1nc(C(=O)Nc2ccc(OCCN(C)C)cc2)ccc1C#N ZINC000079383487 185167698 /nfs/dbraw/zinc/16/76/98/185167698.db2.gz YRKKWXCCQLHTNM-UHFFFAOYSA-N 0 3 324.384 2.454 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@]2(O)CCO[C@H]2C)ccc1OC ZINC000278771861 214389691 /nfs/dbraw/zinc/38/96/91/214389691.db2.gz YGQCQFGQMKSGPB-KSSFIOAISA-N 0 3 321.417 2.280 20 30 DEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(C#N)cs1 ZINC000328621378 231250722 /nfs/dbraw/zinc/25/07/22/231250722.db2.gz AJSFTDFHQBUWTL-KBPBESRZSA-N 0 3 302.403 2.456 20 30 DEEDHN C=C[C@](C)(O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000613176819 362029296 /nfs/dbraw/zinc/02/92/96/362029296.db2.gz DSRIXFIIHZBELT-SFHVURJKSA-N 0 3 317.433 2.093 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1CCCc2cc(OC)ccc21 ZINC000272819752 210218596 /nfs/dbraw/zinc/21/85/96/210218596.db2.gz FMHVGMSXVNQEIL-INIZCTEOSA-N 0 3 309.431 2.263 20 30 DEEDHN CN1CCN(Cc2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713329 529774561 /nfs/dbraw/zinc/77/45/61/529774561.db2.gz ISVBNYVSLXWVOP-RTBURBONSA-N 0 3 312.461 2.216 20 30 DEEDHN N#Cc1cc(NC(=O)N2CC[C@H](N3CCCC3)C2)ccc1F ZINC000102954778 185427165 /nfs/dbraw/zinc/42/71/65/185427165.db2.gz HIZNGEWWRSCDBA-AWEZNQCLSA-N 0 3 302.353 2.399 20 30 DEEDHN C=C[C@](C)(O)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000614729615 362449337 /nfs/dbraw/zinc/44/93/37/362449337.db2.gz RQEVZRSLPHYUAY-OALUTQOASA-N 0 3 314.429 2.048 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000615416048 362605688 /nfs/dbraw/zinc/60/56/88/362605688.db2.gz OKWGLTRGZNBJDN-GOEBONIOSA-N 0 3 308.447 2.064 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000615609408 362657382 /nfs/dbraw/zinc/65/73/82/362657382.db2.gz QMBCYMYZGLGFCS-GOSISDBHSA-N 0 3 315.417 2.204 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@H](COC)OC)ccc1OC ZINC000272707002 210111562 /nfs/dbraw/zinc/11/15/62/210111562.db2.gz ULOGGFFKXFKMLE-HNNXBMFYSA-N 0 3 309.406 2.401 20 30 DEEDHN CC[C@]1(NCC(=O)N(CCC#N)c2ccccc2)CCOC1 ZINC000616866177 362952536 /nfs/dbraw/zinc/95/25/36/362952536.db2.gz SZVZOKHOVMAWNQ-KRWDZBQOSA-N 0 3 301.390 2.092 20 30 DEEDHN C[C@@H]1OCC[C@@]12CN(CCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000595466692 358456524 /nfs/dbraw/zinc/45/65/24/358456524.db2.gz KGMVMLROVPROLE-RVKKMQEKSA-N 0 3 300.402 2.369 20 30 DEEDHN C[C@](CO)(NCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000266858349 186361774 /nfs/dbraw/zinc/36/17/74/186361774.db2.gz IMNBUUHWFUMPSR-GOSISDBHSA-N 0 3 315.417 2.418 20 30 DEEDHN N#Cc1ccc(F)c(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000172428946 198095829 /nfs/dbraw/zinc/09/58/29/198095829.db2.gz WENQOFCNDLMJLC-UHFFFAOYSA-N 0 3 317.408 2.242 20 30 DEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000329802961 539930461 /nfs/dbraw/zinc/93/04/61/539930461.db2.gz KVSGZNAYUKKDQL-JONQDZQNSA-N 0 3 309.454 2.180 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173578735 198230186 /nfs/dbraw/zinc/23/01/86/198230186.db2.gz XMXNISDSPVWGJF-UHFFFAOYSA-N 0 3 303.362 2.283 20 30 DEEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cccc(C#N)c1 ZINC000173668237 198237753 /nfs/dbraw/zinc/23/77/53/198237753.db2.gz FEQXEZMEPONNHF-HNNXBMFYSA-N 0 3 321.446 2.053 20 30 DEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(F)c1 ZINC000331983220 234349818 /nfs/dbraw/zinc/34/98/18/234349818.db2.gz SVKOWSSTUVQJSI-USXIJHARSA-N 0 3 304.365 2.059 20 30 DEEDHN N#Cc1ccc(CNCCCNC(=O)c2ccc(F)cc2)o1 ZINC000174375349 198326603 /nfs/dbraw/zinc/32/66/03/198326603.db2.gz PNSQKFVMARGFRP-UHFFFAOYSA-N 0 3 301.321 2.200 20 30 DEEDHN N#Cc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000066945473 354740860 /nfs/dbraw/zinc/74/08/60/354740860.db2.gz MNUCXNICBAIOFV-MRXNPFEDSA-N 0 3 313.401 2.024 20 30 DEEDHN CCCCNC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068563676 354820409 /nfs/dbraw/zinc/82/04/09/354820409.db2.gz FTQFHSHYHAGFPG-UHFFFAOYSA-N 0 3 302.422 2.432 20 30 DEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1cccc1 ZINC000073107982 354942502 /nfs/dbraw/zinc/94/25/02/354942502.db2.gz WBAKQNYHVMRKHR-UHFFFAOYSA-N 0 3 324.428 2.340 20 30 DEEDHN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000073771693 354981192 /nfs/dbraw/zinc/98/11/92/354981192.db2.gz WDNGDNYJCGDBLP-CQSZACIVSA-N 0 3 303.366 2.394 20 30 DEEDHN C[C@H](C#N)CN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000079506004 355313616 /nfs/dbraw/zinc/31/36/16/355313616.db2.gz HBYDROZWIPKYEA-CQSZACIVSA-N 0 3 324.494 2.149 20 30 DEEDHN C=CCC[C@@H](NCCN1CCCS1(=O)=O)c1ccccc1 ZINC000089519913 355535968 /nfs/dbraw/zinc/53/59/68/355535968.db2.gz QVTQQBCZZOYTQO-MRXNPFEDSA-N 0 3 308.447 2.319 20 30 DEEDHN N#Cc1cccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000089644659 355539601 /nfs/dbraw/zinc/53/96/01/355539601.db2.gz HABCKSZTBLIAMN-IAGOWNOFSA-N 0 3 308.385 2.001 20 30 DEEDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1cccc(C#N)c1 ZINC000088230116 355511919 /nfs/dbraw/zinc/51/19/19/355511919.db2.gz DCHQBGWLGDLDJG-UHFFFAOYSA-N 0 3 311.385 2.284 20 30 DEEDHN C[C@H](CNc1ccc2cc(C#N)ccc2n1)N1CCN(C)CC1 ZINC000092894385 355654940 /nfs/dbraw/zinc/65/49/40/355654940.db2.gz NWLKVOVGKNFGCP-CQSZACIVSA-N 0 3 309.417 2.154 20 30 DEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108306273 355733662 /nfs/dbraw/zinc/73/36/62/355733662.db2.gz FVOKXQDMTGLDPF-OAHLLOKOSA-N 0 3 300.402 2.466 20 30 DEEDHN CCO[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000128949661 355830757 /nfs/dbraw/zinc/83/07/57/355830757.db2.gz WLBFPLKJBRYHLN-MRXNPFEDSA-N 0 3 301.390 2.388 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000180895866 356064980 /nfs/dbraw/zinc/06/49/80/356064980.db2.gz MFFINLXDDCTOBP-IRXDYDNUSA-N 0 3 324.513 2.304 20 30 DEEDHN C[C@@H](C#N)CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000182461201 356127031 /nfs/dbraw/zinc/12/70/31/356127031.db2.gz QRWNMXYTKBYZPI-HNNXBMFYSA-N 0 3 314.433 2.152 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000182581992 356132482 /nfs/dbraw/zinc/13/24/82/356132482.db2.gz QVTJOULBSKOYBH-GOEBONIOSA-N 0 3 300.406 2.110 20 30 DEEDHN COCC1(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCC1 ZINC000292261743 356383359 /nfs/dbraw/zinc/38/33/59/356383359.db2.gz RMIRTLOTSTUJQB-OAHLLOKOSA-N 0 3 301.390 2.223 20 30 DEEDHN CCC(C)(C)OCCNC[C@H](O)COc1ccccc1C#N ZINC000308688375 356410469 /nfs/dbraw/zinc/41/04/69/356410469.db2.gz CXZLYUUUKQGZHZ-HNNXBMFYSA-N 0 3 306.406 2.093 20 30 DEEDHN N#Cc1ccccc1OC[C@H](O)CNCCOCC1CCCC1 ZINC000313260660 356412973 /nfs/dbraw/zinc/41/29/73/356412973.db2.gz HKEGLESKMHAPSI-QGZVFWFLSA-N 0 3 318.417 2.094 20 30 DEEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000352586612 283179590 /nfs/dbraw/zinc/17/95/90/283179590.db2.gz SUVHCZFEHXDQNW-CQSZACIVSA-N 0 3 323.462 2.098 20 30 DEEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000352586611 283186927 /nfs/dbraw/zinc/18/69/27/283186927.db2.gz SUVHCZFEHXDQNW-AWEZNQCLSA-N 0 3 323.462 2.098 20 30 DEEDHN C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000351092380 356611864 /nfs/dbraw/zinc/61/18/64/356611864.db2.gz CDJXJMCNIIUMBM-PXAZEXFGSA-N 0 3 312.373 2.478 20 30 DEEDHN C=C[C@@H](N[C@@H](CN(C)Cc1ccccc1)C(C)C)C(=O)OC ZINC000398155553 356720147 /nfs/dbraw/zinc/72/01/47/356720147.db2.gz QOSMEYFKXAHORQ-SJORKVTESA-N 0 3 304.434 2.460 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1(C#N)CC1)C(C)C ZINC000578396715 356809825 /nfs/dbraw/zinc/80/98/25/356809825.db2.gz DZLAHDIKFFYSTB-HNNXBMFYSA-N 0 3 304.438 2.288 20 30 DEEDHN CC(C)O[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000580894502 357098287 /nfs/dbraw/zinc/09/82/87/357098287.db2.gz IDNMICYYFBLRRB-IAGOWNOFSA-N 0 3 311.385 2.266 20 30 DEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(C#N)ccc3F)[C@@H]2C1 ZINC000581847998 357255148 /nfs/dbraw/zinc/25/51/48/357255148.db2.gz IHYVXAVWPZGXRM-LESCRADOSA-N 0 3 315.392 2.434 20 30 DEEDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584847693 357320865 /nfs/dbraw/zinc/32/08/65/357320865.db2.gz VNAAEYXFRCFMCJ-HERUPUMHSA-N 0 3 321.808 2.288 20 30 DEEDHN CCN1C[C@H](CN(C)CCOCCC#N)Oc2ccccc21 ZINC000590154541 357522461 /nfs/dbraw/zinc/52/24/61/357522461.db2.gz NRDFLZBFDLXYOL-HNNXBMFYSA-N 0 3 303.406 2.136 20 30 DEEDHN N#CCN1CCC(NCc2conc2Cc2ccccc2)CC1 ZINC000590185526 357524316 /nfs/dbraw/zinc/52/43/16/357524316.db2.gz KVYCLCWIRGBWRV-UHFFFAOYSA-N 0 3 310.401 2.343 20 30 DEEDHN CN(C)CC(C)(C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000590939974 357647287 /nfs/dbraw/zinc/64/72/87/357647287.db2.gz SQCBOHIMCQWOLD-HNNXBMFYSA-N 0 3 300.406 2.185 20 30 DEEDHN CC[C@@](C)(CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC ZINC000591374986 357716302 /nfs/dbraw/zinc/71/63/02/357716302.db2.gz JZLHFWVNQRGQNX-AEFFLSMTSA-N 0 3 315.417 2.458 20 30 DEEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)N(C)C ZINC000591183213 357687113 /nfs/dbraw/zinc/68/71/13/357687113.db2.gz OGPDCOXVCANYLE-OLZOCXBDSA-N 0 3 324.222 2.470 20 30 DEEDHN Cc1c2cc(F)ccc2oc1CNC[C@@H](O)CN(C)CCC#N ZINC000591241415 357694520 /nfs/dbraw/zinc/69/45/20/357694520.db2.gz HICLDBMXJFXYAN-CQSZACIVSA-N 0 3 319.380 2.176 20 30 DEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2cccs2)c(F)c1 ZINC000591733940 357755585 /nfs/dbraw/zinc/75/55/85/357755585.db2.gz ONIHFTAABPKVLT-CQSZACIVSA-N 0 3 320.389 2.426 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC2(C[C@H]1C)CCOCC2 ZINC000592183154 357847414 /nfs/dbraw/zinc/84/74/14/357847414.db2.gz RVZXPECUGRNUEJ-VYDXJSESSA-N 0 3 321.465 2.320 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3CCOC4(CCCC4)C3)cnc12 ZINC000592503503 357888287 /nfs/dbraw/zinc/88/82/87/357888287.db2.gz ABSZXHJQVBXKNE-OAHLLOKOSA-N 0 3 311.389 2.182 20 30 DEEDHN CS[C@@H]1CCCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592505467 357889393 /nfs/dbraw/zinc/88/93/93/357889393.db2.gz UGVOVLAYRNGBDP-CQSZACIVSA-N 0 3 301.419 2.318 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000662083595 540327047 /nfs/dbraw/zinc/32/70/47/540327047.db2.gz HDSQTHCBOCMSSV-BBWFWOEESA-N 0 3 312.413 2.289 20 30 DEEDHN COC(=O)[C@@H]1CN(Cc2cc(C#N)ccc2OC)C[C@H]1C1CC1 ZINC000593128829 358017552 /nfs/dbraw/zinc/01/75/52/358017552.db2.gz CVMNWKBACDJILO-JKSUJKDBSA-N 0 3 314.385 2.198 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(C(=O)NC)CC2)cc1 ZINC000179824434 199084813 /nfs/dbraw/zinc/08/48/13/199084813.db2.gz HSEVZZDLDRSGOL-UHFFFAOYSA-N 0 3 300.402 2.047 20 30 DEEDHN C[C@H](COCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593332053 358056588 /nfs/dbraw/zinc/05/65/88/358056588.db2.gz KQAFQICDWGGAJT-CXAGYDPISA-N 0 3 311.385 2.172 20 30 DEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000593557507 358102303 /nfs/dbraw/zinc/10/23/03/358102303.db2.gz DALZXBSMLKOMNZ-QPUJVOFHSA-N 0 3 312.728 2.359 20 30 DEEDHN CCC(C#N)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000593688558 358123282 /nfs/dbraw/zinc/12/32/82/358123282.db2.gz FVLDUAORWZDRLM-CFVMTHIKSA-N 0 3 302.374 2.073 20 30 DEEDHN COc1cc(NC(=O)[C@H](N)CCCC#N)cc(Cl)c1OC ZINC000593915193 358171920 /nfs/dbraw/zinc/17/19/20/358171920.db2.gz SDTDZJKNPUBGEW-LLVKDONJSA-N 0 3 311.769 2.317 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1CCCCC[C@H]1CO ZINC000594014385 358189243 /nfs/dbraw/zinc/18/92/43/358189243.db2.gz CTJJLVAOAPSSIT-HNNXBMFYSA-N 0 3 304.390 2.183 20 30 DEEDHN C#CCOc1ccc(CN2CCC(CC(=O)N(C)C)CC2)cc1 ZINC000180324096 199145496 /nfs/dbraw/zinc/14/54/96/199145496.db2.gz YALMBDCFVQMDNO-UHFFFAOYSA-N 0 3 314.429 2.389 20 30 DEEDHN C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000594284266 358238582 /nfs/dbraw/zinc/23/85/82/358238582.db2.gz TXUFHBSAIYAYGQ-HLLBOEOZSA-N 0 3 304.438 2.339 20 30 DEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000594309835 358241867 /nfs/dbraw/zinc/24/18/67/358241867.db2.gz JWKOVKODDLJHRP-CPUCHLNUSA-N 0 3 311.429 2.478 20 30 DEEDHN CCNC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594430107 358267702 /nfs/dbraw/zinc/26/77/02/358267702.db2.gz YTNOTTNWYPCYJQ-CQSZACIVSA-N 0 3 316.405 2.095 20 30 DEEDHN CN(CC#CCN(C)CCc1ccccn1)CCc1ccccn1 ZINC000276621379 213007146 /nfs/dbraw/zinc/00/71/46/213007146.db2.gz USYPJGJLEPNVDP-UHFFFAOYSA-N 0 3 322.456 2.129 20 30 DEEDHN N#Cc1ccc(CCNC(=O)C[C@@H](N)Cc2ccccc2)cc1 ZINC000595251808 358405865 /nfs/dbraw/zinc/40/58/65/358405865.db2.gz XTFUIPUHZVNPEW-SFHVURJKSA-N 0 3 307.397 2.177 20 30 DEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000618815108 363609949 /nfs/dbraw/zinc/60/99/49/363609949.db2.gz VIJUZHIBRAMJJS-RHSMWYFYSA-N 0 3 310.401 2.081 20 30 DEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595789308 358550478 /nfs/dbraw/zinc/55/04/78/358550478.db2.gz QQQPQWSWPPOTTM-BZUAXINKSA-N 0 3 319.449 2.218 20 30 DEEDHN CCOC(=O)CC1(NCc2cccc(C#N)c2)CCOCC1 ZINC000595876524 358570617 /nfs/dbraw/zinc/57/06/17/358570617.db2.gz JZXSSFKDCDOUGQ-UHFFFAOYSA-N 0 3 302.374 2.150 20 30 DEEDHN N#Cc1nc(N2CCN(c3ccncc3)CC2)sc1Cl ZINC000596064545 358601739 /nfs/dbraw/zinc/60/17/39/358601739.db2.gz ZEZKUNRCZSBEAQ-UHFFFAOYSA-N 0 3 305.794 2.390 20 30 DEEDHN N#Cc1ccc(S(=O)(=O)CCNCCCc2ccco2)cc1 ZINC000596066400 358602267 /nfs/dbraw/zinc/60/22/67/358602267.db2.gz OIJQTWWXNLOPAB-UHFFFAOYSA-N 0 3 318.398 2.147 20 30 DEEDHN CS[C@@H]1CN(c2nc(C#N)ccc2C)C[C@H]1N1CCCC1 ZINC000596194995 358636586 /nfs/dbraw/zinc/63/65/86/358636586.db2.gz CJIJEJRKGIXZPC-HUUCEWRRSA-N 0 3 302.447 2.278 20 30 DEEDHN COC(=O)c1ccc(N[C@H](C)CN2CCC(C)CC2)c(C#N)n1 ZINC000596488839 358697259 /nfs/dbraw/zinc/69/72/59/358697259.db2.gz SCMQYKAEMNLWLA-CYBMUJFWSA-N 0 3 316.405 2.272 20 30 DEEDHN CC(C)N(CCN(C)C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596672157 358737546 /nfs/dbraw/zinc/73/75/46/358737546.db2.gz MOGZTYJVEGCUCA-UHFFFAOYSA-N 0 3 302.422 2.082 20 30 DEEDHN CC[C@H](C#N)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000597616073 358963577 /nfs/dbraw/zinc/96/35/77/358963577.db2.gz COOSVNSCBWKYRS-GDBMZVCRSA-N 0 3 323.481 2.256 20 30 DEEDHN CCCN1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000598343477 359170026 /nfs/dbraw/zinc/17/00/26/359170026.db2.gz WDGGYYUQYYYMCU-AWEZNQCLSA-N 0 3 303.431 2.251 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000598604365 359259496 /nfs/dbraw/zinc/25/94/96/359259496.db2.gz LTRWEURLBTZTDK-TZMCWYRMSA-N 0 3 322.371 2.312 20 30 DEEDHN COc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)c(OC)c1 ZINC000598586255 359250615 /nfs/dbraw/zinc/25/06/15/359250615.db2.gz GDHDOCGDXBQYRQ-AWEZNQCLSA-N 0 3 306.406 2.436 20 30 DEEDHN Cc1cc(C)n([C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1 ZINC000598589645 359251360 /nfs/dbraw/zinc/25/13/60/359251360.db2.gz UJRJQRXLDKDBCI-JKSUJKDBSA-N 0 3 304.438 2.438 20 30 DEEDHN CC(C)C[C@H]([NH2+]C[C@@H](C)CCC#N)c1nc(-c2nc[n-]n2)no1 ZINC000618888046 363625118 /nfs/dbraw/zinc/62/51/18/363625118.db2.gz QLSIPDNIKVBXFA-RYUDHWBXSA-N 0 3 317.397 2.471 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNC[C@H](c1ccco1)N1CCCC1 ZINC000598703391 359298467 /nfs/dbraw/zinc/29/84/67/359298467.db2.gz HDQJPDYCYYCSPK-LSDHHAIUSA-N 0 3 305.422 2.307 20 30 DEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccnc(N2CCCC2)c1 ZINC000598715857 359303413 /nfs/dbraw/zinc/30/34/13/359303413.db2.gz UGOXITBHBYRMSJ-HNNXBMFYSA-N 0 3 302.422 2.072 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(OCC2CC2)nc1 ZINC000598720529 359305748 /nfs/dbraw/zinc/30/57/48/359305748.db2.gz OHVXCCFTVCNKPG-OAHLLOKOSA-N 0 3 303.406 2.261 20 30 DEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1cccnc1)C(C)(C)CO ZINC000598620094 359263213 /nfs/dbraw/zinc/26/32/13/359263213.db2.gz YHQHQVBYBGSFDI-HUUCEWRRSA-N 0 3 305.422 2.032 20 30 DEEDHN C=CCC[C@H](CO)NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598643727 359272806 /nfs/dbraw/zinc/27/28/06/359272806.db2.gz SQLJKRVMBARDNH-CYBMUJFWSA-N 0 3 306.406 2.028 20 30 DEEDHN COC(=O)c1cc(CN[C@@H]2CC[C@H](C#N)C2)n2c1CCCC2 ZINC000598644942 359273058 /nfs/dbraw/zinc/27/30/58/359273058.db2.gz BKYJXUXLMIJKTA-QWHCGFSZSA-N 0 3 301.390 2.393 20 30 DEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000667361940 540442508 /nfs/dbraw/zinc/44/25/08/540442508.db2.gz SXUZDFDDVQJXRJ-FUHWJXTLSA-N 0 3 302.418 2.094 20 30 DEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)C1CCCC1 ZINC000427977142 237051790 /nfs/dbraw/zinc/05/17/90/237051790.db2.gz XRLCTPHWWSCZPW-IRXDYDNUSA-N 0 3 300.402 2.426 20 30 DEEDHN CCc1nnc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000428077993 237079145 /nfs/dbraw/zinc/07/91/45/237079145.db2.gz QGIYVVSRJJALCM-ZDUSSCGKSA-N 0 3 314.414 2.489 20 30 DEEDHN COC(=O)[C@H]1CN(CCCSCC#N)Cc2ccccc21 ZINC000599681993 359570064 /nfs/dbraw/zinc/57/00/64/359570064.db2.gz USWXHGUHCCMWOL-HNNXBMFYSA-N 0 3 304.415 2.406 20 30 DEEDHN COc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(F)cc1C#N ZINC000599820131 359606707 /nfs/dbraw/zinc/60/67/07/359606707.db2.gz VDKNGDPQZSWFMG-CMPLNLGQSA-N 0 3 320.368 2.310 20 30 DEEDHN Cc1nc(CN(CCN(C)C)Cc2ccc(C#N)cc2)[nH]c1C ZINC000600160342 359669173 /nfs/dbraw/zinc/66/91/73/359669173.db2.gz DHROMFZVSMNBHE-UHFFFAOYSA-N 0 3 311.433 2.462 20 30 DEEDHN C=CCCN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000276172522 212712262 /nfs/dbraw/zinc/71/22/62/212712262.db2.gz UHFWEZAZJBGTNT-UHFFFAOYSA-N 0 3 305.422 2.345 20 30 DEEDHN CN(C)CCOc1ccccc1CNCc1cccc(C#N)n1 ZINC000602527107 360419136 /nfs/dbraw/zinc/41/91/36/360419136.db2.gz YOZPMAXROUGOHJ-UHFFFAOYSA-N 0 3 310.401 2.183 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1nnc(C)s1)C(C)C ZINC000668682558 540708903 /nfs/dbraw/zinc/70/89/03/540708903.db2.gz JUULGUMKNROHHQ-AWEZNQCLSA-N 0 3 322.478 2.204 20 30 DEEDHN CC[C@@](C)(CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC ZINC000602632407 360468119 /nfs/dbraw/zinc/46/81/19/360468119.db2.gz SZEUNBJTFVJYDB-AEFFLSMTSA-N 0 3 315.417 2.064 20 30 DEEDHN C=C[C@](C)(O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000668832005 540738840 /nfs/dbraw/zinc/73/88/40/540738840.db2.gz WCEMLEJYTLAXCT-KDOFPFPSSA-N 0 3 302.418 2.265 20 30 DEEDHN C=CCNC(=O)CNC1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000602878010 360605425 /nfs/dbraw/zinc/60/54/25/360605425.db2.gz OEXDHPLHMUHOQG-UHFFFAOYSA-N 0 3 310.438 2.313 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000668967886 540759817 /nfs/dbraw/zinc/75/98/17/540759817.db2.gz KOGAKOAHCKPENR-JKSUJKDBSA-N 0 3 323.481 2.084 20 30 DEEDHN CN1CC[C@]2(CCN(C(=O)Nc3cc(F)cc(C#N)c3)C2)C1 ZINC000603070721 360688888 /nfs/dbraw/zinc/68/88/88/360688888.db2.gz SDWWSISDKITUCW-INIZCTEOSA-N 0 3 302.353 2.257 20 30 DEEDHN CC(C)(C)[C@H](N)c1cn(CCCC2(C#N)CCOCC2)nn1 ZINC000603232275 360757839 /nfs/dbraw/zinc/75/78/39/360757839.db2.gz HXQNURBBVSLEOE-CQSZACIVSA-N 0 3 305.426 2.425 20 30 DEEDHN COCCOCc1cc(C#N)ccc1N(C)CCN(C)C1CC1 ZINC000603343191 360801908 /nfs/dbraw/zinc/80/19/08/360801908.db2.gz UUZIYCGJFPDBFD-UHFFFAOYSA-N 0 3 317.433 2.252 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(C(F)(F)F)CCC2)C[C@H]1C ZINC001328254650 1148755790 /nfs/dbraw/zinc/75/57/90/1148755790.db2.gz FJHAMEIRTJTIMW-VXGBXAGGSA-N 0 3 302.340 2.321 20 30 DEEDHN COCCN(CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000603629118 360850487 /nfs/dbraw/zinc/85/04/87/360850487.db2.gz GGEYWVNTMSWPIX-UHFFFAOYSA-N 0 3 315.417 2.065 20 30 DEEDHN COC(=O)C[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000604304858 360895284 /nfs/dbraw/zinc/89/52/84/360895284.db2.gz HXXBDAQPRIFOKV-HNNXBMFYSA-N 0 3 302.374 2.355 20 30 DEEDHN N#CCn1c(C(=O)N2CC[C@H](N3CCCC3)C2)cc2ccccc21 ZINC000609171427 361287015 /nfs/dbraw/zinc/28/70/15/361287015.db2.gz XWOIHNFILRZHKZ-INIZCTEOSA-N 0 3 322.412 2.475 20 30 DEEDHN CCN1CCCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609522302 361317951 /nfs/dbraw/zinc/31/79/51/361317951.db2.gz AUXDCOOXYMHBSG-UHFFFAOYSA-N 0 3 310.401 2.333 20 30 DEEDHN CCN1CCN([C@H](C)CNc2nc(C)cc(C)c2C#N)CC1 ZINC000610514949 361413442 /nfs/dbraw/zinc/41/34/42/361413442.db2.gz QSLGZZPHQUSUMS-OAHLLOKOSA-N 0 3 301.438 2.008 20 30 DEEDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000611205294 361549121 /nfs/dbraw/zinc/54/91/21/361549121.db2.gz SNTNMOGVLYOFDF-HIFRSBDPSA-N 0 3 301.390 2.244 20 30 DEEDHN C=CCCOCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673322416 541101010 /nfs/dbraw/zinc/10/10/10/541101010.db2.gz LAHYCGPTUMDLEG-WBVHZDCISA-N 0 3 302.418 2.358 20 30 DEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611578012 361639986 /nfs/dbraw/zinc/63/99/86/361639986.db2.gz MHEQONMVAHVHBT-ZYHUDNBSSA-N 0 3 300.280 2.098 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000611634723 361650207 /nfs/dbraw/zinc/65/02/07/361650207.db2.gz QSCVKLCUINNNHY-HOCLYGCPSA-N 0 3 300.406 2.062 20 30 DEEDHN C=C[C@](C)(O)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000611661662 361654064 /nfs/dbraw/zinc/65/40/64/361654064.db2.gz ODDZAQXBHGAHMC-QAPCUYQASA-N 0 3 302.418 2.046 20 30 DEEDHN C=C[C@](C)(O)C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000611705015 361661323 /nfs/dbraw/zinc/66/13/23/361661323.db2.gz QZCKMTQLCLKGKW-HKUYNNGSSA-N 0 3 316.445 2.294 20 30 DEEDHN C=C[C@@H](C(=O)OC)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000619720096 363864616 /nfs/dbraw/zinc/86/46/16/363864616.db2.gz ADSXAJPGHDGDEY-KRWDZBQOSA-N 0 3 317.433 2.348 20 30 DEEDHN Cc1cc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)nn1C ZINC000619723888 363866267 /nfs/dbraw/zinc/86/62/67/363866267.db2.gz DAHIINBGIGPEAT-CQSZACIVSA-N 0 3 324.432 2.315 20 30 DEEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)CCN1C ZINC000619759397 363872063 /nfs/dbraw/zinc/87/20/63/363872063.db2.gz IFOQRCNCFXLRKE-SMDDNHRTSA-N 0 3 320.824 2.494 20 30 DEEDHN C=CCCOCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000620224511 363993716 /nfs/dbraw/zinc/99/37/16/363993716.db2.gz SODGOJMVNHNKAY-UHFFFAOYSA-N 0 3 306.406 2.295 20 30 DEEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CCCC1 ZINC000449880074 241206694 /nfs/dbraw/zinc/20/66/94/241206694.db2.gz LRCAWQSSYKXTPD-MRXNPFEDSA-N 0 3 307.482 2.265 20 30 DEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000451599002 243179757 /nfs/dbraw/zinc/17/97/57/243179757.db2.gz MPYDAQCQEYUUTJ-DIECFANBSA-N 0 3 302.418 2.228 20 30 DEEDHN C[C@@H]1CN(C(=O)c2cccc(F)c2C#N)CCN(C2CC2)C1 ZINC000452171621 244007960 /nfs/dbraw/zinc/00/79/60/244007960.db2.gz KSGWBWATEJDKKK-LBPRGKRZSA-N 0 3 301.365 2.254 20 30 DEEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000678744688 541761200 /nfs/dbraw/zinc/76/12/00/541761200.db2.gz MLTVLUYTESTSQR-JKSUJKDBSA-N 0 3 320.433 2.131 20 30 DEEDHN C=CCc1cc(CN(C)CCCC(=O)NC)cc(OC)c1O ZINC000093717640 193297275 /nfs/dbraw/zinc/29/72/75/193297275.db2.gz BKTITTWNBPSADH-UHFFFAOYSA-N 0 3 306.406 2.087 20 30 DEEDHN C=C(C)COc1cc(CNC[C@@]2(C)CCC(=O)N2)ccc1OC ZINC000453584399 245193439 /nfs/dbraw/zinc/19/34/39/245193439.db2.gz DXFNAMQIKWTLTP-GOSISDBHSA-N 0 3 318.417 2.408 20 30 DEEDHN CC[C@H]1CN(c2c(C#N)cnc3ccccc32)CCN1C[C@@H](C)O ZINC000266419686 205332693 /nfs/dbraw/zinc/33/26/93/205332693.db2.gz RVCWGMIACPXPGR-ZBFHGGJFSA-N 0 3 324.428 2.388 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2COC)CC1 ZINC000458313794 248257498 /nfs/dbraw/zinc/25/74/98/248257498.db2.gz CVVALYGTIAUACH-INIZCTEOSA-N 0 3 309.454 2.237 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccc(C)n2)CC1 ZINC000458346122 248270956 /nfs/dbraw/zinc/27/09/56/248270956.db2.gz VTTVFCTVOLWKPD-UHFFFAOYSA-N 0 3 302.422 2.182 20 30 DEEDHN C#CCNC(=O)C1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000491105474 248900859 /nfs/dbraw/zinc/90/08/59/248900859.db2.gz WDNOFBJADVRFQI-UHFFFAOYSA-N 0 3 312.413 2.029 20 30 DEEDHN CN(C[C@H]1CCCN1C)C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000493519063 249313915 /nfs/dbraw/zinc/31/39/15/249313915.db2.gz LCKMYQGYVZXYDR-BSDKJSHOSA-N 0 3 313.401 2.155 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(OC)cc2)CC1 ZINC000106039719 194181167 /nfs/dbraw/zinc/18/11/67/194181167.db2.gz PUYXOUWKJSCLLM-UHFFFAOYSA-N 0 3 302.418 2.394 20 30 DEEDHN N#Cc1ccsc1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000555662581 291801725 /nfs/dbraw/zinc/80/17/25/291801725.db2.gz OQNKBZLAANRFNR-LBPRGKRZSA-N 0 3 313.382 2.021 20 30 DEEDHN C[C@H](CN1CCCCC1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000119711422 195023830 /nfs/dbraw/zinc/02/38/30/195023830.db2.gz UNDGSOYTWDLCLX-LLVKDONJSA-N 0 3 307.344 2.441 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C(C)C ZINC000270062828 208120074 /nfs/dbraw/zinc/12/00/74/208120074.db2.gz PJHCYWQYHVXQMQ-WMZOPIPTSA-N 0 3 308.466 2.352 20 30 DEEDHN Cn1cc(CNCC2=CCCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000272914967 210302058 /nfs/dbraw/zinc/30/20/58/210302058.db2.gz PCHQCVWEXRYMHM-UHFFFAOYSA-N 0 3 308.385 2.395 20 30 DEEDHN CN1CCC(Oc2ccc(CNc3ccnc(C#N)c3)cc2)CC1 ZINC000557692173 291875688 /nfs/dbraw/zinc/87/56/88/291875688.db2.gz XNMBDFNALNCUIN-UHFFFAOYSA-N 0 3 322.412 2.460 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000337746844 533118941 /nfs/dbraw/zinc/11/89/41/533118941.db2.gz XCZADLUJAFKTPC-WKEGUHRASA-N 0 3 313.126 2.298 20 30 DEEDHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccccc2C#N)CC1 ZINC000156643319 197130575 /nfs/dbraw/zinc/13/05/75/197130575.db2.gz HLNZEFKNOQPCGU-UHFFFAOYSA-N 0 3 321.446 2.099 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000490984825 533149139 /nfs/dbraw/zinc/14/91/39/533149139.db2.gz IKXAZTUJDGLBOE-HNAYVOBHSA-N 0 3 320.477 2.025 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000154871528 197000430 /nfs/dbraw/zinc/00/04/30/197000430.db2.gz IGPBBKVBXOSDNN-OAGGEKHMSA-N 0 3 321.465 2.140 20 30 DEEDHN Cn1cc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1C#N ZINC000294843502 224259107 /nfs/dbraw/zinc/25/91/07/224259107.db2.gz RHXBEOYLZGOYLU-ZDUSSCGKSA-N 0 3 302.422 2.010 20 30 DEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1cccnc1 ZINC001099017504 781985670 /nfs/dbraw/zinc/98/56/70/781985670.db2.gz SQOQBLGBVPLHMA-INIZCTEOSA-N 0 3 301.434 2.417 20 30 DEEDHN COC[C@H](C)ON=C(N)c1ccccc1CN1CCCCC1 ZINC000178309306 285354842 /nfs/dbraw/zinc/35/48/42/285354842.db2.gz WICJWURRLWAKGX-AWEZNQCLSA-N 0 3 305.422 2.344 20 30 DEEDHN COCCCN(C(=O)c1ccc(C#N)s1)C1CCN(C)CC1 ZINC000358243305 133130635 /nfs/dbraw/zinc/13/06/35/133130635.db2.gz VBCSXVQNBHRKPE-UHFFFAOYSA-N 0 3 321.446 2.193 20 30 DEEDHN N#Cc1nccnc1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000368133218 133261524 /nfs/dbraw/zinc/26/15/24/133261524.db2.gz UEGWHIXXUBXKJB-SJORKVTESA-N 0 3 319.412 2.307 20 30 DEEDHN Cc1nccnc1[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000377010866 133315745 /nfs/dbraw/zinc/31/57/45/133315745.db2.gz VUEFZYCOKWRWHW-AWEZNQCLSA-N 0 3 322.416 2.371 20 30 DEEDHN N#Cc1ncccc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000377979165 133352170 /nfs/dbraw/zinc/35/21/70/133352170.db2.gz VKMNHOFIOPAYSX-CVEARBPZSA-N 0 3 308.385 2.001 20 30 DEEDHN Cn1cc(CN2CC([C@@H]3CCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000373468019 133391799 /nfs/dbraw/zinc/39/17/99/133391799.db2.gz IJCBUZRVNSHKHW-MRXNPFEDSA-N 0 3 322.412 2.427 20 30 DEEDHN CC(C)C[C@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)CCO1 ZINC000563149085 292034543 /nfs/dbraw/zinc/03/45/43/292034543.db2.gz DULONWPSCHMSKE-CVEARBPZSA-N 0 3 313.405 2.284 20 30 DEEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1F ZINC000563803689 292073791 /nfs/dbraw/zinc/07/37/91/292073791.db2.gz PEQUUXRYFZRCOV-RDJZCZTQSA-N 0 3 318.392 2.355 20 30 DEEDHN CCn1cc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000297149426 404473565 /nfs/dbraw/zinc/47/35/65/404473565.db2.gz LUXSWDJHFMXXNH-XJKSGUPXSA-N 0 3 321.384 2.334 20 30 DEEDHN CCn1cc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1 ZINC000297149418 404473741 /nfs/dbraw/zinc/47/37/41/404473741.db2.gz LUXSWDJHFMXXNH-BBRMVZONSA-N 0 3 321.384 2.334 20 30 DEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc2n(n1)CCCO2 ZINC000329882571 404481270 /nfs/dbraw/zinc/48/12/70/404481270.db2.gz QBJLPDDAJSPJPP-CHWSQXEVSA-N 0 3 306.410 2.091 20 30 DEEDHN CC(C)O[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000564915390 292120784 /nfs/dbraw/zinc/12/07/84/292120784.db2.gz GVLCCYGILAQFAG-OAHLLOKOSA-N 0 3 301.390 2.386 20 30 DEEDHN CC[C@@]1(CO)CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000187594487 145001096 /nfs/dbraw/zinc/00/10/96/145001096.db2.gz JSBAHQKSUDWSEJ-MRXNPFEDSA-N 0 3 321.446 2.433 20 30 DEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000346689044 146124539 /nfs/dbraw/zinc/12/45/39/146124539.db2.gz PUZXLFYQRFWGKW-XJKSGUPXSA-N 0 3 308.385 2.452 20 30 DEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000348155918 146225504 /nfs/dbraw/zinc/22/55/04/146225504.db2.gz CSOIXGOBBSEPAW-CHWSQXEVSA-N 0 3 323.343 2.164 20 30 DEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cnccc1C#N ZINC000358486411 147143311 /nfs/dbraw/zinc/14/33/11/147143311.db2.gz XNRNQNCSMRMHON-OAHLLOKOSA-N 0 3 300.406 2.338 20 30 DEEDHN COC(=O)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)CC1CC1 ZINC000565661978 292175428 /nfs/dbraw/zinc/17/54/28/292175428.db2.gz WFBDKOZUKLXCBG-GFCCVEGCSA-N 0 3 303.318 2.468 20 30 DEEDHN COc1cc(CN2CCC(Cn3ccnn3)CC2)ccc1C#N ZINC000374214364 148218731 /nfs/dbraw/zinc/21/87/31/148218731.db2.gz ZMWRVZSVLITMNP-UHFFFAOYSA-N 0 3 311.389 2.071 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000127199656 401724480 /nfs/dbraw/zinc/72/44/80/401724480.db2.gz HYJDDOHNIZAZLO-CYBMUJFWSA-N 0 3 318.417 2.473 20 30 DEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CSc1ccc(C#N)cc1)C2 ZINC000073989995 401726971 /nfs/dbraw/zinc/72/69/71/401726971.db2.gz IFWTUGBPCZJHFH-LSDHHAIUSA-N 0 3 315.442 2.345 20 30 DEEDHN CCCCN(C)CCNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000112465062 401746215 /nfs/dbraw/zinc/74/62/15/401746215.db2.gz JSCONJKYTQFEMN-UHFFFAOYSA-N 0 3 302.422 2.432 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000071951856 401699442 /nfs/dbraw/zinc/69/94/42/401699442.db2.gz XFWBVEJIQRZZCS-LBPRGKRZSA-N 0 3 320.397 2.078 20 30 DEEDHN CN(CC1CCN(C)CC1)C(=O)NCc1cc(C#N)ccc1F ZINC000075435707 401759483 /nfs/dbraw/zinc/75/94/83/401759483.db2.gz DKOYNNRRSYJLBI-UHFFFAOYSA-N 0 3 318.396 2.181 20 30 DEEDHN Cc1cc(C)c(CNCCNC(=O)C2N=CC=CC2=O)c(C)c1 ZINC000113361010 401776597 /nfs/dbraw/zinc/77/65/97/401776597.db2.gz SWXMODVHBGUOKT-ISLYRVAYSA-N 0 3 313.401 2.228 20 30 DEEDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)CCC#N ZINC000076074147 401781201 /nfs/dbraw/zinc/78/12/01/401781201.db2.gz KDHHOXBFYRYDCB-CQSZACIVSA-N 0 3 303.406 2.365 20 30 DEEDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)CCC#N ZINC000076074147 401781203 /nfs/dbraw/zinc/78/12/03/401781203.db2.gz KDHHOXBFYRYDCB-CQSZACIVSA-N 0 3 303.406 2.365 20 30 DEEDHN N#Cc1cc(NC(=O)NC2CCN(C3CC3)CC2)ccc1F ZINC000077499837 401817641 /nfs/dbraw/zinc/81/76/41/401817641.db2.gz FDRRNNHTTBCAPM-UHFFFAOYSA-N 0 3 302.353 2.446 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2[C@H]2CCCO2)CC1 ZINC000115372866 401825989 /nfs/dbraw/zinc/82/59/89/401825989.db2.gz IESKDOAKNDHLAO-CQSZACIVSA-N 0 3 319.405 2.296 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC000115372864 401826069 /nfs/dbraw/zinc/82/60/69/401826069.db2.gz IESKDOAKNDHLAO-AWEZNQCLSA-N 0 3 319.405 2.296 20 30 DEEDHN CN(CCOc1cccc(Cl)c1)CCC(=O)N(C)CCC#N ZINC000130896323 401840323 /nfs/dbraw/zinc/84/03/23/401840323.db2.gz VXZLTQSMOQJLPU-UHFFFAOYSA-N 0 3 323.824 2.413 20 30 DEEDHN CN(Cc1cccs1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000035122287 401895608 /nfs/dbraw/zinc/89/56/08/401895608.db2.gz GXJYBVHHAYRGIT-AWEZNQCLSA-N 0 3 302.399 2.491 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCOCc2ccccc2)CC1 ZINC000083231839 401900441 /nfs/dbraw/zinc/90/04/41/401900441.db2.gz VADASABNBOJUND-UHFFFAOYSA-N 0 3 317.433 2.153 20 30 DEEDHN C=CCN(CCc1ccccc1)C[C@H](O)COC1CCOCC1 ZINC000119068308 401924066 /nfs/dbraw/zinc/92/40/66/401924066.db2.gz MIWDEDOBCKHVGG-SFHVURJKSA-N 0 3 319.445 2.274 20 30 DEEDHN CN(Cc1cccc(C#N)c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000045410109 401957145 /nfs/dbraw/zinc/95/71/45/401957145.db2.gz ZDDQUBDREQOQLA-UHFFFAOYSA-N 0 3 312.417 2.326 20 30 DEEDHN CN(C)CCOc1cc(C(=O)Nc2cccc(C#N)c2)ccn1 ZINC000136068203 401959096 /nfs/dbraw/zinc/95/90/96/401959096.db2.gz XFNRZCQUXZJJLA-UHFFFAOYSA-N 0 3 310.357 2.146 20 30 DEEDHN Cc1cc(C(=O)CON=C(N)CCO)c(C)n1CCC(C)C ZINC000136064223 401959482 /nfs/dbraw/zinc/95/94/82/401959482.db2.gz FFABDPYTIYIACA-UHFFFAOYSA-N 0 3 309.410 2.005 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000045769103 401961800 /nfs/dbraw/zinc/96/18/00/401961800.db2.gz VOODPUZAJARLLY-INIZCTEOSA-N 0 3 307.482 2.360 20 30 DEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](Cc2nccn2C)C1 ZINC000090004332 401978705 /nfs/dbraw/zinc/97/87/05/401978705.db2.gz XJMHQZOVEOPVAR-INIZCTEOSA-N 0 3 318.465 2.099 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)NCC)C2)cc1 ZINC000090411875 401982102 /nfs/dbraw/zinc/98/21/02/401982102.db2.gz GFGRLPHBXXPTCC-ZBFHGGJFSA-N 0 3 315.417 2.153 20 30 DEEDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1cccc(C#N)c1 ZINC000151211828 402023350 /nfs/dbraw/zinc/02/33/50/402023350.db2.gz LFLPBYUCNXZYEK-UHFFFAOYSA-N 0 3 308.385 2.331 20 30 DEEDHN C#CCCOc1ccc(CN[C@@H](C)CO[C@@H]2CCOC2)cc1 ZINC000151233791 402024600 /nfs/dbraw/zinc/02/46/00/402024600.db2.gz WZHIZRVGEZVDHK-MAUKXSAKSA-N 0 3 303.402 2.372 20 30 DEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)[nH]1 ZINC000151567469 402044162 /nfs/dbraw/zinc/04/41/62/402044162.db2.gz NSDBXNDTWQRMKW-MRXNPFEDSA-N 0 3 308.385 2.281 20 30 DEEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc2n(n1)CCCO2 ZINC000329903988 404490010 /nfs/dbraw/zinc/49/00/10/404490010.db2.gz QTRVSMARYUHAMK-ZDUSSCGKSA-N 0 3 306.410 2.235 20 30 DEEDHN N#Cc1cnn2cc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cnc12 ZINC000566242194 292221075 /nfs/dbraw/zinc/22/10/75/292221075.db2.gz HTXOCPWBXSWLMH-BZUAXINKSA-N 0 3 323.400 2.038 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCCN1CC ZINC000124640947 402190139 /nfs/dbraw/zinc/19/01/39/402190139.db2.gz ZGYXILBQVGLJRP-AWEZNQCLSA-N 0 3 318.417 2.474 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000124724996 402194120 /nfs/dbraw/zinc/19/41/20/402194120.db2.gz NBKAYRVXRGBXJL-UKRRQHHQSA-N 0 3 303.406 2.436 20 30 DEEDHN N#C[C@]1(NC(=O)c2cccc(CN3CCCC3)c2)CCSC1 ZINC000068427349 402197420 /nfs/dbraw/zinc/19/74/20/402197420.db2.gz KKZBTLTZQMPCFI-QGZVFWFLSA-N 0 3 315.442 2.411 20 30 DEEDHN COc1ccc(C#N)cc1CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000154223201 402200058 /nfs/dbraw/zinc/20/00/58/402200058.db2.gz ZZYDYLWQYLUVCA-OAHLLOKOSA-N 0 3 310.401 2.365 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)COc2ccccc2C#N)CC1 ZINC000106040641 402212063 /nfs/dbraw/zinc/21/20/63/402212063.db2.gz QVFVJTLMRNJLIQ-UHFFFAOYSA-N 0 3 313.401 2.094 20 30 DEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160401367 402344239 /nfs/dbraw/zinc/34/42/39/402344239.db2.gz PHDCRNKVCABBJE-CJNGLKHVSA-N 0 3 310.401 2.264 20 30 DEEDHN Cc1sc(NC(=O)CN2CCC[C@H](N(C)C)C2)c(C#N)c1C ZINC000177281443 402387291 /nfs/dbraw/zinc/38/72/91/402387291.db2.gz CWWLJWZALNYLAO-ZDUSSCGKSA-N 0 3 320.462 2.201 20 30 DEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](OCC(C)C)C2)CC1 ZINC000177247762 402384962 /nfs/dbraw/zinc/38/49/62/402384962.db2.gz UVNDTOUDXCQFCS-MRXNPFEDSA-N 0 3 309.454 2.093 20 30 DEEDHN COc1cccc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC000237364273 402405885 /nfs/dbraw/zinc/40/58/85/402405885.db2.gz SIVUDUXVTCKDEQ-UHFFFAOYSA-N 0 3 309.369 2.086 20 30 DEEDHN CC(C)c1nc2n(n1)C[C@H](NCc1cc(C#N)cs1)CC2 ZINC000177697602 402428137 /nfs/dbraw/zinc/42/81/37/402428137.db2.gz YIXWDGAHBZGIOM-GFCCVEGCSA-N 0 3 301.419 2.439 20 30 DEEDHN N#Cc1cc(F)ccc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000177900048 402443052 /nfs/dbraw/zinc/44/30/52/402443052.db2.gz NXQNMQBMAMIPFI-AWEZNQCLSA-N 0 3 302.353 2.399 20 30 DEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000245397026 402455368 /nfs/dbraw/zinc/45/53/68/402455368.db2.gz NOTYSQXQWAZJRR-RHSMWYFYSA-N 0 3 312.417 2.055 20 30 DEEDHN C=CCC[C@@H](O)CN1C[C@@H](C)N(C[C@H](O)CCC=C)[C@@H](C)C1 ZINC000187116340 402483002 /nfs/dbraw/zinc/48/30/02/402483002.db2.gz OVVPVQKGHAEBDZ-XMTFNYHQSA-N 0 3 310.482 2.035 20 30 DEEDHN Cc1cccc(S(=O)(=O)NCCCN2CCCCC2)c1C#N ZINC000178500137 402504855 /nfs/dbraw/zinc/50/48/55/402504855.db2.gz IWLNUAWPRYKQPH-UHFFFAOYSA-N 0 3 321.446 2.021 20 30 DEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](COCc2ccccc2)C1 ZINC000247350338 402564487 /nfs/dbraw/zinc/56/44/87/402564487.db2.gz GQXMLAHOGZSLRX-DOTOQJQBSA-N 0 3 302.418 2.216 20 30 DEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCC)C2(C)C)CC1 ZINC000178669328 402523861 /nfs/dbraw/zinc/52/38/61/402523861.db2.gz OVFBUCFAEODZSY-JKSUJKDBSA-N 0 3 323.481 2.482 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cnn(C)c2C)CC1 ZINC000171555973 402593870 /nfs/dbraw/zinc/59/38/70/402593870.db2.gz KRLPSFQVOXNXEL-ZDUSSCGKSA-N 0 3 319.453 2.129 20 30 DEEDHN N#Cc1csc(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000179628100 402596370 /nfs/dbraw/zinc/59/63/70/402596370.db2.gz KZEUGTHMTBCYNW-UHFFFAOYSA-N 0 3 305.447 2.164 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000248626793 402600001 /nfs/dbraw/zinc/60/00/01/402600001.db2.gz VCMXUTOBTVOXJA-JCKWVBRZSA-N 0 3 315.417 2.195 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000180844749 402627544 /nfs/dbraw/zinc/62/75/44/402627544.db2.gz KJZLFJKYUYRKLY-ROUUACIJSA-N 0 3 320.477 2.432 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC000171718094 402614150 /nfs/dbraw/zinc/61/41/50/402614150.db2.gz KUOJWCFJAPWXHO-UHFFFAOYSA-N 0 3 304.438 2.327 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCSC(F)(F)F)CC1 ZINC000171718123 402614491 /nfs/dbraw/zinc/61/44/91/402614491.db2.gz WHOYKVHWADDPDY-UHFFFAOYSA-N 0 3 311.373 2.189 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3ccccc3n2)CC1 ZINC000171729780 402615760 /nfs/dbraw/zinc/61/57/60/402615760.db2.gz DXEFLPKQTFSGQY-UHFFFAOYSA-N 0 3 310.401 2.400 20 30 DEEDHN C=CCN1CCC(NC(=O)NCCc2sc(C)nc2C)CC1 ZINC000171764752 402619708 /nfs/dbraw/zinc/61/97/08/402619708.db2.gz ZSCBZLCAQLTJBC-UHFFFAOYSA-N 0 3 322.478 2.252 20 30 DEEDHN Cn1cc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cc1C#N ZINC000191085486 402640816 /nfs/dbraw/zinc/64/08/16/402640816.db2.gz LDAKVWDRVJBVDX-OAHLLOKOSA-N 0 3 308.385 2.071 20 30 DEEDHN Cn1cc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1C#N ZINC000191085473 402640876 /nfs/dbraw/zinc/64/08/76/402640876.db2.gz LDAKVWDRVJBVDX-HNNXBMFYSA-N 0 3 308.385 2.071 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccncc1 ZINC000181892388 402659811 /nfs/dbraw/zinc/65/98/11/402659811.db2.gz ZCDGVPGPTZIXFI-UHFFFAOYSA-N 0 3 322.412 2.086 20 30 DEEDHN Cn1cc(CN[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000191179515 402648633 /nfs/dbraw/zinc/64/86/33/402648633.db2.gz CHTFSEKHKVJAKZ-OAHLLOKOSA-N 0 3 318.421 2.290 20 30 DEEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)n(C)c2)C1 ZINC000191268310 402656191 /nfs/dbraw/zinc/65/61/91/402656191.db2.gz VNSBMIBTCZUQNU-GDBMZVCRSA-N 0 3 316.449 2.414 20 30 DEEDHN CCCN1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000183291588 402753373 /nfs/dbraw/zinc/75/33/73/402753373.db2.gz CCFARASWKACPHX-UHFFFAOYSA-N 0 3 323.444 2.486 20 30 DEEDHN Cc1c([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cnn1C ZINC000183311156 402755617 /nfs/dbraw/zinc/75/56/17/402755617.db2.gz MUIGUGCHJCCGTE-LBPRGKRZSA-N 0 3 311.389 2.280 20 30 DEEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000193175652 402767855 /nfs/dbraw/zinc/76/78/55/402767855.db2.gz NUMREZATYZGOTJ-MRXNPFEDSA-N 0 3 316.449 2.017 20 30 DEEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000193175636 402768006 /nfs/dbraw/zinc/76/80/06/402768006.db2.gz NUMREZATYZGOTJ-INIZCTEOSA-N 0 3 316.449 2.017 20 30 DEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000263696500 402792382 /nfs/dbraw/zinc/79/23/82/402792382.db2.gz KROBMKCPVJTJCH-GJZGRUSLSA-N 0 3 315.417 2.185 20 30 DEEDHN C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F ZINC000272161101 402904396 /nfs/dbraw/zinc/90/43/96/402904396.db2.gz VNHIJIIJYQELJJ-GMXVVIOVSA-N 0 3 305.344 2.360 20 30 DEEDHN C=CCN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000271362970 402862806 /nfs/dbraw/zinc/86/28/06/402862806.db2.gz GNEQRGOJFLXPQJ-UHFFFAOYSA-N 0 3 313.445 2.376 20 30 DEEDHN Cc1occc1C(=O)NC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278520462 402867353 /nfs/dbraw/zinc/86/73/53/402867353.db2.gz CKIKBDPKCKLSSC-DZGCQCFKSA-N 0 3 301.390 2.475 20 30 DEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CC#Cc1ccc(F)cc1 ZINC000278641060 402869184 /nfs/dbraw/zinc/86/91/84/402869184.db2.gz LQZJMFOGPYCGIX-MRXNPFEDSA-N 0 3 316.420 2.362 20 30 DEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H](c2ccccc2F)C1 ZINC000271618510 402882103 /nfs/dbraw/zinc/88/21/03/402882103.db2.gz WXOJTNQXYYMGTQ-CQSZACIVSA-N 0 3 303.381 2.377 20 30 DEEDHN C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000271896352 402885386 /nfs/dbraw/zinc/88/53/86/402885386.db2.gz NZBSUNADCULDEV-GJZGRUSLSA-N 0 3 302.422 2.308 20 30 DEEDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCC(C)(C)C#N)c1 ZINC000272034287 402889192 /nfs/dbraw/zinc/88/91/92/402889192.db2.gz PVFIBHQZBXDLGQ-GFCCVEGCSA-N 0 3 309.435 2.185 20 30 DEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]([C@H](C)O)C1 ZINC000272548127 402951662 /nfs/dbraw/zinc/95/16/62/402951662.db2.gz KISSMIWPSFIIGI-SOUVJXGZSA-N 0 3 322.474 2.354 20 30 DEEDHN CCOC1CC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272575882 402955528 /nfs/dbraw/zinc/95/55/28/402955528.db2.gz PQKHOKSDJZPHAT-PREGVCBESA-N 0 3 313.401 2.211 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCOC3(CCCC3)C2)cc1 ZINC000279980419 402966304 /nfs/dbraw/zinc/96/63/04/402966304.db2.gz IDIAUPRRKZDICO-KRWDZBQOSA-N 0 3 323.396 2.412 20 30 DEEDHN C#CCn1ccc(CN(CC)C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000279177836 402912660 /nfs/dbraw/zinc/91/26/60/402912660.db2.gz SAGCNXXBMGYAKA-OAGGEKHMSA-N 0 3 316.449 2.126 20 30 DEEDHN CS[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1N(C)C ZINC000272418361 402934816 /nfs/dbraw/zinc/93/48/16/402934816.db2.gz AWWPTVXOCVAIEH-UONOGXRCSA-N 0 3 322.409 2.207 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Br)cnn1C ZINC000280568381 403014110 /nfs/dbraw/zinc/01/41/10/403014110.db2.gz GLBGFWQIIUUZIS-GWCFXTLKSA-N 0 3 314.227 2.253 20 30 DEEDHN C#CCOc1ccccc1CNC[C@]1(N(C)C)CCSC1 ZINC000267147416 403019823 /nfs/dbraw/zinc/01/98/23/403019823.db2.gz ZBRHSRHPCGFEGK-QGZVFWFLSA-N 0 3 304.459 2.226 20 30 DEEDHN CN(C)CCOc1cccc(-c2noc(CSCC#N)n2)c1 ZINC000273896356 403028597 /nfs/dbraw/zinc/02/85/97/403028597.db2.gz OZMGYBJQARNFIF-UHFFFAOYSA-N 0 3 318.402 2.434 20 30 DEEDHN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000280266014 402981342 /nfs/dbraw/zinc/98/13/42/402981342.db2.gz JWLXXBYGCAFSHG-KSSFIOAISA-N 0 3 322.412 2.007 20 30 DEEDHN N#Cc1ccc([C@H](O)CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000281790206 403091633 /nfs/dbraw/zinc/09/16/33/403091633.db2.gz ULJDQGMJVLQLBZ-WOJBJXKFSA-N 0 3 322.408 2.405 20 30 DEEDHN CN(C[C@H]1CCCOC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280874314 403045494 /nfs/dbraw/zinc/04/54/94/403045494.db2.gz LNSOWLJVINFVJX-IAGOWNOFSA-N 0 3 311.385 2.126 20 30 DEEDHN C[C@H](CCN1CCN(C)CC1)Nc1c(F)cc(C#N)cc1F ZINC000274439704 403056096 /nfs/dbraw/zinc/05/60/96/403056096.db2.gz GLWLZLIRZXRYOV-GFCCVEGCSA-N 0 3 308.376 2.274 20 30 DEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000268194042 403060090 /nfs/dbraw/zinc/06/00/90/403060090.db2.gz WCHYTHQGQBSOBH-CXAGYDPISA-N 0 3 312.417 2.182 20 30 DEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCC#N ZINC000274163864 403031639 /nfs/dbraw/zinc/03/16/39/403031639.db2.gz IQDNBADUVLYVHC-GOEBONIOSA-N 0 3 300.406 2.110 20 30 DEEDHN COc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cc1O ZINC000268625827 403100681 /nfs/dbraw/zinc/10/06/81/403100681.db2.gz BAUGJSOSGXEFRW-KRWDZBQOSA-N 0 3 312.369 2.438 20 30 DEEDHN C=CCN1CC[C@H](N(Cc2ccccc2)[C@@H](CO)C2CC2)C1=O ZINC000281914503 403104170 /nfs/dbraw/zinc/10/41/70/403104170.db2.gz GTQWIGSOBATYDZ-ROUUACIJSA-N 0 3 314.429 2.046 20 30 DEEDHN C#CCOc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000274873979 403096673 /nfs/dbraw/zinc/09/66/73/403096673.db2.gz UGUNZNKXGFEARI-GDBMZVCRSA-N 0 3 313.401 2.257 20 30 DEEDHN CS[C@H]1CN(c2nccc(C)c2C#N)C[C@H]1N1CCCC1 ZINC000275898046 403131101 /nfs/dbraw/zinc/13/11/01/403131101.db2.gz ZAIBWKVUNVWTDM-CABCVRRESA-N 0 3 302.447 2.278 20 30 DEEDHN CC(C)[C@@H](CNCc1ccc(C#N)cc1F)N1CCN(C)CC1 ZINC000269405964 403136899 /nfs/dbraw/zinc/13/68/99/403136899.db2.gz HNLVMAICGIWGEX-GOSISDBHSA-N 0 3 318.440 2.059 20 30 DEEDHN C=CCc1cc(CNCC2([S@](C)=O)CC2)cc(OC)c1O ZINC000282520868 403156198 /nfs/dbraw/zinc/15/61/98/403156198.db2.gz YDUUWVPMHUOECO-NRFANRHFSA-N 0 3 309.431 2.130 20 30 DEEDHN CC(C)C(N)=NOC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000283616066 403210098 /nfs/dbraw/zinc/21/00/98/403210098.db2.gz VPRMKTPSERFMRF-MRXNPFEDSA-N 0 3 305.422 2.222 20 30 DEEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1 ZINC000270679417 403212047 /nfs/dbraw/zinc/21/20/47/403212047.db2.gz MIMJHXCRVBBSIM-QGZVFWFLSA-N 0 3 320.396 2.468 20 30 DEEDHN C[C@@H](CO)N(CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000276504956 403181830 /nfs/dbraw/zinc/18/18/30/403181830.db2.gz YKXNVOCPGHPCNB-ZDUSSCGKSA-N 0 3 301.390 2.122 20 30 DEEDHN CS[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000270415553 403189375 /nfs/dbraw/zinc/18/93/75/403189375.db2.gz BYOPSAAWFDXDKN-XLBHYRNJSA-N 0 3 315.442 2.075 20 30 DEEDHN CN(CCC#N)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000270441222 403192101 /nfs/dbraw/zinc/19/21/01/403192101.db2.gz AGBMCUPCAAZDQZ-CQSZACIVSA-N 0 3 315.339 2.439 20 30 DEEDHN C[C@@H]1CN(C)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000330673383 403303042 /nfs/dbraw/zinc/30/30/42/403303042.db2.gz PCTRZZAMDHHXFX-GFCCVEGCSA-N 0 3 320.824 2.176 20 30 DEEDHN C#CCOc1ccccc1CNC1CCN(c2cccnn2)CC1 ZINC000277693033 403246162 /nfs/dbraw/zinc/24/61/62/403246162.db2.gz QSRUNZXNMMPKOK-UHFFFAOYSA-N 0 3 322.412 2.247 20 30 DEEDHN COC[C@H](C)OC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000278004944 403278927 /nfs/dbraw/zinc/27/89/27/403278927.db2.gz AVFJPQWTDFUIHB-MAUKXSAKSA-N 0 3 320.433 2.181 20 30 DEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000285198444 403279351 /nfs/dbraw/zinc/27/93/51/403279351.db2.gz SPEPPRHUEDOOPV-OCCSQVGLSA-N 0 3 306.406 2.435 20 30 DEEDHN CCCN(CCN1CCCCC1)C(=O)Cc1noc(C)c1C#N ZINC000342790412 403351882 /nfs/dbraw/zinc/35/18/82/403351882.db2.gz ASSMJOQJECWOTJ-UHFFFAOYSA-N 0 3 318.421 2.122 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H]1C(=O)OC)C(C)C ZINC000285471423 403304574 /nfs/dbraw/zinc/30/45/74/403304574.db2.gz HLWDBGVSAGDWJY-HRCADAONSA-N 0 3 322.449 2.000 20 30 DEEDHN C=CCCN(C)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000342726574 403324355 /nfs/dbraw/zinc/32/43/55/403324355.db2.gz GMWHMCCPVSCHBG-CABCVRRESA-N 0 3 318.417 2.181 20 30 DEEDHN C=CCCN(C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000342762903 403340374 /nfs/dbraw/zinc/34/03/74/403340374.db2.gz GXJKNQAJRBJSSK-INIZCTEOSA-N 0 3 306.381 2.234 20 30 DEEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)NC(=O)NCC(F)(F)F ZINC000331316338 403373795 /nfs/dbraw/zinc/37/37/95/403373795.db2.gz ABQHVMPMRGPBRR-JTQLQIEISA-N 0 3 323.359 2.480 20 30 DEEDHN 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/nfs/dbraw/zinc/53/61/33/404536133.db2.gz SRMGPPUYZRHTKE-BBRMVZONSA-N 0 3 308.447 2.450 20 30 DEEDHN COC1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCCCC1 ZINC000330045780 404538357 /nfs/dbraw/zinc/53/83/57/404538357.db2.gz DMTSVVSSNVOFQI-UKRRQHHQSA-N 0 3 309.454 2.322 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000356463104 404539175 /nfs/dbraw/zinc/53/91/75/404539175.db2.gz PBDISWGVAQXEFT-AWEZNQCLSA-N 0 3 300.406 2.306 20 30 DEEDHN CC(C(=O)NC(C1CC1)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000330083156 404545724 /nfs/dbraw/zinc/54/57/24/404545724.db2.gz HHFXWRDQJPQOTM-SNVBAGLBSA-N 0 3 315.435 2.114 20 30 DEEDHN CCN1CCN([C@H]2CCN(c3cccc(Cl)c3C#N)C2)CC1 ZINC000297327209 404553827 /nfs/dbraw/zinc/55/38/27/404553827.db2.gz ZWXFBCYROPCOGF-AWEZNQCLSA-N 0 3 318.852 2.428 20 30 DEEDHN CC(C)[C@@H]1OCCC[C@@H]1C[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330188885 404577627 /nfs/dbraw/zinc/57/76/27/404577627.db2.gz LLQGLHDHPOBPGN-YCPHGPKFSA-N 0 3 320.437 2.153 20 30 DEEDHN C[C@@H]1CCN(C)CCN1C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352834285 404655223 /nfs/dbraw/zinc/65/52/23/404655223.db2.gz WLKZBNLECZXCGW-CYBMUJFWSA-N 0 3 315.392 2.282 20 30 DEEDHN CC(=O)N[C@H]1CCCN(C(=O)CN(C2CCC2)C2CCC2)C1 ZINC000330263373 404605887 /nfs/dbraw/zinc/60/58/87/404605887.db2.gz WKOPCFYIAHQOHJ-AWEZNQCLSA-N 0 3 307.438 2.361 20 30 DEEDHN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cn1 ZINC000330258755 404605968 /nfs/dbraw/zinc/60/59/68/404605968.db2.gz ROYYEBWCYSSKGQ-XNRPHZJLSA-N 0 3 317.437 2.426 20 30 DEEDHN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N1CCC[C@@H](C)C1 ZINC000330316846 404625341 /nfs/dbraw/zinc/62/53/41/404625341.db2.gz ZQRSNPWJOAPDLW-CHWSQXEVSA-N 0 3 306.410 2.091 20 30 DEEDHN C=CCCC1(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000356626232 404627404 /nfs/dbraw/zinc/62/74/04/404627404.db2.gz RPEHVCSMNVDIQS-SJORKVTESA-N 0 3 319.493 2.217 20 30 DEEDHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)NCC#N)cc1 ZINC000352907348 404689275 /nfs/dbraw/zinc/68/92/75/404689275.db2.gz FJARIOXEIJQYBU-GOSISDBHSA-N 0 3 323.396 2.208 20 30 DEEDHN CC(C)CCOc1ccc(CNCCn2cnc(C#N)n2)cc1 ZINC000353036465 404729024 /nfs/dbraw/zinc/72/90/24/404729024.db2.gz GUAFGOHWRHWMPF-UHFFFAOYSA-N 0 3 313.405 2.364 20 30 DEEDHN C=CCN1CCC(NC(=O)COC/C=C\c2ccccc2)CC1 ZINC000357163317 404729684 /nfs/dbraw/zinc/72/96/84/404729684.db2.gz YPZBEMXWXLOPPV-TWGQIWQCSA-N 0 3 314.429 2.483 20 30 DEEDHN C=CCN(C(=O)NCC(C)(C)N1CCC(OC)CC1)C1CC1 ZINC000357582198 404738825 /nfs/dbraw/zinc/73/88/25/404738825.db2.gz PJSTXCLTAJJHIP-UHFFFAOYSA-N 0 3 309.454 2.236 20 30 DEEDHN CC(C#N)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000358874700 404778325 /nfs/dbraw/zinc/77/83/25/404778325.db2.gz WHJMPBBZLYAGHB-TYNCELHUSA-N 0 3 317.364 2.154 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@]12CCOC2)C(C)C ZINC000359272205 404789141 /nfs/dbraw/zinc/78/91/41/404789141.db2.gz MMXGJSJYQCOBBU-JZXOWHBKSA-N 0 3 306.450 2.228 20 30 DEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415047566 404795487 /nfs/dbraw/zinc/79/54/87/404795487.db2.gz BGHOBZIGELDIQX-BXUZGUMPSA-N 0 3 302.378 2.101 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 ZINC000353324473 404802515 /nfs/dbraw/zinc/80/25/15/404802515.db2.gz FXTNPSMBBMTVNN-GFCCVEGCSA-N 0 3 321.387 2.026 20 30 DEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(F)c1C#N ZINC000376396593 404820420 /nfs/dbraw/zinc/82/04/20/404820420.db2.gz PAPJXIUCKZWYHF-OLZOCXBDSA-N 0 3 301.365 2.396 20 30 DEEDHN CC(C)CN1CCO[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429887 404829205 /nfs/dbraw/zinc/82/92/05/404829205.db2.gz VDHATYIIXGECBB-IEBWSBKVSA-N 0 3 313.445 2.492 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000424094800 405004210 /nfs/dbraw/zinc/00/42/10/405004210.db2.gz VMLPLCBOWYUXHS-OAHLLOKOSA-N 0 3 314.389 2.163 20 30 DEEDHN CN(C)C(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424098983 405005755 /nfs/dbraw/zinc/00/57/55/405005755.db2.gz DZPFSLLXFPMFFQ-ZDUSSCGKSA-N 0 3 322.796 2.001 20 30 DEEDHN CO[C@]1(C)C[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1(C)C ZINC000451490042 405008205 /nfs/dbraw/zinc/00/82/05/405008205.db2.gz ODXOVUYIGHRJKS-DLTLXFJOSA-N 0 3 309.454 2.223 20 30 DEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000424106488 405008383 /nfs/dbraw/zinc/00/83/83/405008383.db2.gz XPSAUVCSTQIFRZ-OLZOCXBDSA-N 0 3 307.781 2.301 20 30 DEEDHN Cc1ccc(-c2nc(CNC(=O)[C@H](N)CCCC#N)co2)cc1 ZINC000424128910 405015445 /nfs/dbraw/zinc/01/54/45/405015445.db2.gz RQONQONOYLHGCV-OAHLLOKOSA-N 0 3 312.373 2.287 20 30 DEEDHN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424142185 405019327 /nfs/dbraw/zinc/01/93/27/405019327.db2.gz DKJLHGCALUXDOC-QWHCGFSZSA-N 0 3 313.405 2.255 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000424144573 405021331 /nfs/dbraw/zinc/02/13/31/405021331.db2.gz LVWKXZBQBDGOEB-KRWDZBQOSA-N 0 3 308.385 2.386 20 30 DEEDHN Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)CCC2 ZINC000424146655 405021426 /nfs/dbraw/zinc/02/14/26/405021426.db2.gz PXNSSRRXVRSUMN-AAEUAGOBSA-N 0 3 306.435 2.309 20 30 DEEDHN C=CCC1(C(=O)Nc2ccc3c(c2)CNCCO3)CCOCC1 ZINC000424172231 405028673 /nfs/dbraw/zinc/02/86/73/405028673.db2.gz LIIJWXMTLBXVMM-UHFFFAOYSA-N 0 3 316.401 2.480 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000424175369 405029755 /nfs/dbraw/zinc/02/97/55/405029755.db2.gz PYZXTQCJPFHGCV-OCCSQVGLSA-N 0 3 321.808 2.341 20 30 DEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000424182688 405032932 /nfs/dbraw/zinc/03/29/32/405032932.db2.gz UNSSQQKQWPDTOV-GJZGRUSLSA-N 0 3 321.808 2.341 20 30 DEEDHN C=CCOCCCC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000367239385 404977603 /nfs/dbraw/zinc/97/76/03/404977603.db2.gz CSRILRZZIJQYDF-DLBZAZTESA-N 0 3 302.418 2.183 20 30 DEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000424319123 405067183 /nfs/dbraw/zinc/06/71/83/405067183.db2.gz DTOIYRHBYKFWSH-VNHYZAJKSA-N 0 3 321.446 2.280 20 30 DEEDHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(C#N)s1 ZINC000568380040 292335823 /nfs/dbraw/zinc/33/58/23/292335823.db2.gz USESKLJLMHICES-LBPRGKRZSA-N 0 3 306.435 2.245 20 30 DEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000437930547 405225291 /nfs/dbraw/zinc/22/52/91/405225291.db2.gz JHHDZLFFGUNOCR-JKSUJKDBSA-N 0 3 311.470 2.197 20 30 DEEDHN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000438206502 405237229 /nfs/dbraw/zinc/23/72/29/405237229.db2.gz YLHPFKLFVZMGPT-AAEUAGOBSA-N 0 3 302.378 2.171 20 30 DEEDHN CN1C[C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)[C@@H]2C1 ZINC000425061703 405241155 /nfs/dbraw/zinc/24/11/55/405241155.db2.gz ZZOWPGDOXLBYCL-GOEBONIOSA-N 0 3 315.442 2.468 20 30 DEEDHN COCCCN1CCC(Nc2ncc3c(c2C#N)CCC3)CC1 ZINC000425225318 405260497 /nfs/dbraw/zinc/26/04/97/405260497.db2.gz MFDHLTXEMKOUKG-UHFFFAOYSA-N 0 3 314.433 2.355 20 30 DEEDHN C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)N(C)C ZINC000454226708 405312821 /nfs/dbraw/zinc/31/28/21/405312821.db2.gz SIKJPESZAZPPHQ-ZDUSSCGKSA-N 0 3 320.462 2.041 20 30 DEEDHN CN(C)Cc1ccccc1CNC(=O)CNc1cccc(C#N)c1 ZINC000426000507 405335075 /nfs/dbraw/zinc/33/50/75/405335075.db2.gz SLIQAFUBPJBGNJ-UHFFFAOYSA-N 0 3 322.412 2.348 20 30 DEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC1(O)CCCCCC1 ZINC000426232316 405346299 /nfs/dbraw/zinc/34/62/99/405346299.db2.gz MOHGUJPHICWGAH-DOTOQJQBSA-N 0 3 323.481 2.446 20 30 DEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC1(O)CCCCCC1 ZINC000426232318 405346433 /nfs/dbraw/zinc/34/64/33/405346433.db2.gz MOHGUJPHICWGAH-RDJZCZTQSA-N 0 3 323.481 2.446 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](OC)[C@H](C)CC)CC1 ZINC000454456236 405347614 /nfs/dbraw/zinc/34/76/14/405347614.db2.gz CRBNQRQASWOLKX-GDBMZVCRSA-N 0 3 311.470 2.387 20 30 DEEDHN COCCO[C@H]1C[C@@H](CO)CN(CCCCC(C)(C)C#N)C1 ZINC000447396138 405413161 /nfs/dbraw/zinc/41/31/61/405413161.db2.gz VBRQUYPPGANCEJ-CVEARBPZSA-N 0 3 312.454 2.052 20 30 DEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCOC(C)(C)C2)CC1 ZINC000454538355 405360513 /nfs/dbraw/zinc/36/05/13/405360513.db2.gz HZWGRDFVHJGGHW-CQSZACIVSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](O)C(C)(C)C1 ZINC000446080817 405371647 /nfs/dbraw/zinc/37/16/47/405371647.db2.gz NLZLYWLKGSIBIH-AEFFLSMTSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000446080819 405371835 /nfs/dbraw/zinc/37/18/35/405371835.db2.gz NLZLYWLKGSIBIH-SJLPKXTDSA-N 0 3 319.445 2.248 20 30 DEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1nc(CC)c(C)s1 ZINC000429717542 405445802 /nfs/dbraw/zinc/44/58/02/405445802.db2.gz COVBJESRFNLLFB-UHFFFAOYSA-N 0 3 324.494 2.392 20 30 DEEDHN CN(C)CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455761958 405448378 /nfs/dbraw/zinc/44/83/78/405448378.db2.gz AQLUGLLIEUNFTN-UHFFFAOYSA-N 0 3 304.394 2.419 20 30 DEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455763027 405448400 /nfs/dbraw/zinc/44/84/00/405448400.db2.gz OPLDTKIYIYOYQA-SNVBAGLBSA-N 0 3 307.785 2.165 20 30 DEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455762163 405448447 /nfs/dbraw/zinc/44/84/47/405448447.db2.gz AUMDPPMDJVLSIJ-NSHDSACASA-N 0 3 321.812 2.412 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3c(cccc3C)O2)CC1 ZINC000448924109 405464658 /nfs/dbraw/zinc/46/46/58/405464658.db2.gz XKOKERPCUWJASV-KRWDZBQOSA-N 0 3 300.402 2.065 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC(=O)OC)cc1 ZINC000449545905 405607402 /nfs/dbraw/zinc/60/74/02/405607402.db2.gz ABMPWRZTPTZAJB-CVEARBPZSA-N 0 3 305.374 2.062 20 30 DEEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494227546 405664280 /nfs/dbraw/zinc/66/42/80/405664280.db2.gz PARVEQODBWNKJI-QGAOAIPTSA-N 0 3 321.465 2.463 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000459044828 405711942 /nfs/dbraw/zinc/71/19/42/405711942.db2.gz QNFHZZVAVOVRDL-CVEARBPZSA-N 0 3 321.421 2.086 20 30 DEEDHN CN(C)CCOC1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450328911 405837881 /nfs/dbraw/zinc/83/78/81/405837881.db2.gz ISMCYNFWOHNQME-UHFFFAOYSA-N 0 3 318.377 2.013 20 30 DEEDHN N#Cc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000619759363 405930512 /nfs/dbraw/zinc/93/05/12/405930512.db2.gz GMTLIZWIQWWOJW-ZDUSSCGKSA-N 0 3 318.808 2.248 20 30 DEEDHN CC(C)(C)OC(=O)N1CC[C@H](N(CCOCCC#N)C2CC2)C1 ZINC000495725385 405931561 /nfs/dbraw/zinc/93/15/61/405931561.db2.gz FBQZDOQPQDBRER-HNNXBMFYSA-N 0 3 323.437 2.390 20 30 DEEDHN CN1CCN(C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000561482066 405931802 /nfs/dbraw/zinc/93/18/02/405931802.db2.gz PDKKVYUEVROYCC-NEWSRXKRSA-N 0 3 312.461 2.257 20 30 DEEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1N1CCOCC1 ZINC000633967515 405935483 /nfs/dbraw/zinc/93/54/83/405935483.db2.gz OZHUXHHHBOUNSR-HNNXBMFYSA-N 0 3 322.368 2.112 20 30 DEEDHN Cc1cc(C#N)cnc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000561348207 405921362 /nfs/dbraw/zinc/92/13/62/405921362.db2.gz NACKFXIYSBQIKU-HEHGZKQESA-N 0 3 312.417 2.064 20 30 DEEDHN C[C@H]1CN(CCCNc2cccc(C#N)c2[N+](=O)[O-])CCCO1 ZINC000450484696 405923725 /nfs/dbraw/zinc/92/37/25/405923725.db2.gz HJXCNLYNNAKMNN-ZDUSSCGKSA-N 0 3 318.377 2.379 20 30 DEEDHN COC(=O)CCn1nc(C)c(CNCC(C)(C)CC#N)c1C ZINC000459729625 406022545 /nfs/dbraw/zinc/02/25/45/406022545.db2.gz KJTLBPXXRONTCR-UHFFFAOYSA-N 0 3 306.410 2.093 20 30 DEEDHN CC(C)(CC#N)CS(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000451037251 406025182 /nfs/dbraw/zinc/02/51/82/406025182.db2.gz NZWGMTIYLCGRHS-UHFFFAOYSA-N 0 3 315.483 2.110 20 30 DEEDHN C=CCc1ccccc1OC[C@@H](O)CNCC1(CC#N)CC1 ZINC000566556691 406089542 /nfs/dbraw/zinc/08/95/42/406089542.db2.gz RNRMICWNHVZWQY-INIZCTEOSA-N 0 3 300.402 2.438 20 30 DEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CN1C1CC1 ZINC000566852239 406092573 /nfs/dbraw/zinc/09/25/73/406092573.db2.gz BNLKGQZNMPOXDQ-HIFRSBDPSA-N 0 3 304.438 2.337 20 30 DEEDHN CCC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCC1 ZINC000459787959 406045467 /nfs/dbraw/zinc/04/54/67/406045467.db2.gz DTDAPUYXHREEPK-OAHLLOKOSA-N 0 3 321.446 2.285 20 30 DEEDHN C[C@@H](C#N)CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000565064667 406069767 /nfs/dbraw/zinc/06/97/67/406069767.db2.gz LVDVOVQMCIVGBM-YOEHRIQHSA-N 0 3 300.406 2.110 20 30 DEEDHN C(#CCN1CCC[C@H]1c1cn[nH]c1)CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639775938 406246593 /nfs/dbraw/zinc/24/65/93/406246593.db2.gz HVHRTNVWVXYNNT-HDICACEKSA-N 0 3 324.432 2.110 20 30 DEEDHN COCCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[C@H]1C ZINC000488041180 406288398 /nfs/dbraw/zinc/28/83/98/406288398.db2.gz LNIZLTJFZFQCGI-HZPDHXFCSA-N 0 3 321.465 2.466 20 30 DEEDHN C[C@@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H](C)C1 ZINC000488772163 406347610 /nfs/dbraw/zinc/34/76/10/406347610.db2.gz SOTWAFOIQNOPQS-YWPYICTPSA-N 0 3 315.377 2.028 20 30 DEEDHN N#CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522194966 406397097 /nfs/dbraw/zinc/39/70/97/406397097.db2.gz BFLVHZKPNQHJOK-QGZVFWFLSA-N 0 3 312.417 2.056 20 30 DEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000489430230 406404973 /nfs/dbraw/zinc/40/49/73/406404973.db2.gz QIEAJYYQRSIFAM-KGLIPLIRSA-N 0 3 306.362 2.375 20 30 DEEDHN C=CCN1CCC(NC(=O)NC2(C(F)(F)F)CCC2)CC1 ZINC000640064004 406379622 /nfs/dbraw/zinc/37/96/22/406379622.db2.gz ODUHDSHBWROGQQ-UHFFFAOYSA-N 0 3 305.344 2.421 20 30 DEEDHN COCC[C@](C)(O)CN[C@H](CCC#N)c1ccc(OC)cc1 ZINC000571030424 406469199 /nfs/dbraw/zinc/46/91/99/406469199.db2.gz HAOTVAUBYJWCLO-SJORKVTESA-N 0 3 306.406 2.417 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000490575300 406471449 /nfs/dbraw/zinc/47/14/49/406471449.db2.gz QNNFRXIYNLRUIL-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn3ccccc23)CC1 ZINC000640363489 406476267 /nfs/dbraw/zinc/47/62/67/406476267.db2.gz XSIYZHGNALAUCA-UHFFFAOYSA-N 0 3 313.405 2.496 20 30 DEEDHN N#Cc1cccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000524391825 406447416 /nfs/dbraw/zinc/44/74/16/406447416.db2.gz CLLICJPHKRLMQH-LJQANCHMSA-N 0 3 321.380 2.134 20 30 DEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(Br)s1 ZINC000491201129 406542776 /nfs/dbraw/zinc/54/27/76/406542776.db2.gz FOXPBJKOTNTRAN-SECBINFHSA-N 0 3 315.236 2.301 20 30 DEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000571624948 406544382 /nfs/dbraw/zinc/54/43/82/406544382.db2.gz MTIARTNQDJPOOP-QAPCUYQASA-N 0 3 324.428 2.472 20 30 DEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000491254254 406555001 /nfs/dbraw/zinc/55/50/01/406555001.db2.gz RKTVVUCGMQKZGF-ZDUSSCGKSA-N 0 3 321.396 2.150 20 30 DEEDHN C#C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000491266762 406557959 /nfs/dbraw/zinc/55/79/59/406557959.db2.gz QIBBZGCPONZTJA-CVEARBPZSA-N 0 3 303.381 2.236 20 30 DEEDHN C=CCOCCCC(=O)N1CCCN(c2ccncc2)CC1 ZINC000640446580 406506640 /nfs/dbraw/zinc/50/66/40/406506640.db2.gz RNPQCBCADSOHNS-UHFFFAOYSA-N 0 3 303.406 2.103 20 30 DEEDHN C[C@@H]1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000525827447 406507383 /nfs/dbraw/zinc/50/73/83/406507383.db2.gz PNLKAUZIGDWCFT-XJKCOSOUSA-N 0 3 311.385 2.313 20 30 DEEDHN C#CCNC(=O)CCN[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000491474550 406600317 /nfs/dbraw/zinc/60/03/17/406600317.db2.gz NTZUZPYESMRUDQ-LJQANCHMSA-N 0 3 321.424 2.403 20 30 DEEDHN C#CCN(C)CCCNC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000491508188 406608277 /nfs/dbraw/zinc/60/82/77/406608277.db2.gz YTWWGDFXTRPTLS-UHFFFAOYSA-N 0 3 321.465 2.075 20 30 DEEDHN N#CCCCNC[C@@H](O)COc1ccccc1C(F)(F)F ZINC000572237028 406626380 /nfs/dbraw/zinc/62/63/80/406626380.db2.gz QKILZPUADYCZJL-LLVKDONJSA-N 0 3 302.296 2.338 20 30 DEEDHN C#CCNC(=O)CCN[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000491668672 406660183 /nfs/dbraw/zinc/66/01/83/406660183.db2.gz SXLOIWOOJNNUAN-AWEZNQCLSA-N 0 3 304.365 2.157 20 30 DEEDHN C#C[C@@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000491699993 406675012 /nfs/dbraw/zinc/67/50/12/406675012.db2.gz VFQLYLKHLUARSI-GOSISDBHSA-N 0 3 312.413 2.147 20 30 DEEDHN C#C[C@H](CC)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000491726230 406689397 /nfs/dbraw/zinc/68/93/97/406689397.db2.gz FUEBGASISRDUNQ-RCCFBDPRSA-N 0 3 311.429 2.314 20 30 DEEDHN C#C[C@@H](CC)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000491751620 406701874 /nfs/dbraw/zinc/70/18/74/406701874.db2.gz UXYNXZFKWFWIDW-INIZCTEOSA-N 0 3 324.428 2.253 20 30 DEEDHN C#C[C@H](NC(=O)NC1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000491640051 406646140 /nfs/dbraw/zinc/64/61/40/406646140.db2.gz XIRGFJJOTQDYKA-HNNXBMFYSA-N 0 3 305.809 2.408 20 30 DEEDHN CN(C)CCNC(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 ZINC000527764404 406742127 /nfs/dbraw/zinc/74/21/27/406742127.db2.gz PMGHORCZSWYQBB-UHFFFAOYSA-N 0 3 322.412 2.462 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000572814267 406742744 /nfs/dbraw/zinc/74/27/44/406742744.db2.gz UTKHRUOMYGMRQZ-QXSJWSMHSA-N 0 3 309.454 2.140 20 30 DEEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C/CN(C)C)c1 ZINC000491873870 406758777 /nfs/dbraw/zinc/75/87/77/406758777.db2.gz VBSZSJVBOLTXTH-RZIFZGNASA-N 0 3 301.390 2.102 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000491762183 406706481 /nfs/dbraw/zinc/70/64/81/406706481.db2.gz ZHIXUGBTSIUXDR-CYBMUJFWSA-N 0 3 320.264 2.215 20 30 DEEDHN C#CC(C)(C)N(C)CCC(=O)NCc1ccc(OC)cc1OC ZINC000491766329 406707601 /nfs/dbraw/zinc/70/76/01/406707601.db2.gz GFPVRWXTYWXHRB-UHFFFAOYSA-N 0 3 318.417 2.054 20 30 DEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(F)c(C)c1 ZINC000491767587 406708797 /nfs/dbraw/zinc/70/87/97/406708797.db2.gz JBHWGPXNCZDGTI-UHFFFAOYSA-N 0 3 305.397 2.231 20 30 DEEDHN C#C[C@H](NC(=O)NCCN(C)C1CC1)c1ccc(Cl)cc1 ZINC000491778702 406714416 /nfs/dbraw/zinc/71/44/16/406714416.db2.gz YPJAMGNSFKPZEH-HNNXBMFYSA-N 0 3 305.809 2.408 20 30 DEEDHN N#CCC[C@@H](C#N)CNC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000572666620 406716410 /nfs/dbraw/zinc/71/64/10/406716410.db2.gz QVYMLSVPOOQTJA-DLBZAZTESA-N 0 3 310.401 2.068 20 30 DEEDHN CC(C)OCCCNC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000573254323 406771022 /nfs/dbraw/zinc/77/10/22/406771022.db2.gz ZTDHRUBYIPRZEW-OAHLLOKOSA-N 0 3 309.454 2.322 20 30 DEEDHN C#C[C@H](NC(=O)Nc1cccc(OCCN(C)C)c1)C(C)C ZINC000491806045 406729018 /nfs/dbraw/zinc/72/90/18/406729018.db2.gz PTBRSPBEJCXDQV-INIZCTEOSA-N 0 3 303.406 2.406 20 30 DEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000491927447 406780322 /nfs/dbraw/zinc/78/03/22/406780322.db2.gz UKFVARKZNBEHMO-RMKNXTFCSA-N 0 3 300.377 2.443 20 30 DEEDHN CCNc1nc(NCC(C)(C)CCC#N)nc(NC(C)(C)C)n1 ZINC000574358199 406781662 /nfs/dbraw/zinc/78/16/62/406781662.db2.gz JGNLBHNZYYSFMI-UHFFFAOYSA-N 0 3 319.457 2.099 20 30 DEEDHN C[C@H]1CCN(CCNC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000491950650 406787773 /nfs/dbraw/zinc/78/77/73/406787773.db2.gz CLYRLMPCBIBUCS-SZTZYQKNSA-N 0 3 313.401 2.060 20 30 DEEDHN C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000641397211 406793224 /nfs/dbraw/zinc/79/32/24/406793224.db2.gz VSEWASZXDSBODX-UONOGXRCSA-N 0 3 323.462 2.046 20 30 DEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc[nH]1 ZINC000491988946 406802076 /nfs/dbraw/zinc/80/20/76/406802076.db2.gz HBAAUSBZGJGIEF-KTKRTIGZSA-N 0 3 322.412 2.490 20 30 DEEDHN CN1CCCN(C(=O)[C@H](N)CCCC#N)c2ccc(F)cc21 ZINC000576111410 406828776 /nfs/dbraw/zinc/82/87/76/406828776.db2.gz YFRRNCYMKNUZHB-CYBMUJFWSA-N 0 3 304.369 2.020 20 30 DEEDHN CC#CC[C@@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000641768944 406888521 /nfs/dbraw/zinc/88/85/21/406888521.db2.gz MGFOSIZTPMXVRH-ZDUSSCGKSA-N 0 3 301.308 2.492 20 30 DEEDHN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646922259 406926198 /nfs/dbraw/zinc/92/61/98/406926198.db2.gz KXUWOKQYRZWNIT-CZUORRHYSA-N 0 3 316.401 2.036 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(OC)c2C)[C@H]1C ZINC001088884316 782018403 /nfs/dbraw/zinc/01/84/03/782018403.db2.gz OMQLDNNVQFREFJ-ZBFHGGJFSA-N 0 3 300.402 2.220 20 30 DEEDHN C=CCNc1ncc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)s1 ZINC000129224337 196030346 /nfs/dbraw/zinc/03/03/46/196030346.db2.gz HCAUJNLPEUDFEA-RYUDHWBXSA-N 0 3 308.451 2.153 20 30 DEEDHN CN(C)[C@H]1CCCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330026088 225959322 /nfs/dbraw/zinc/95/93/22/225959322.db2.gz LEIPPRTZVHMJEE-GPANFISMSA-N 0 3 321.465 2.464 20 30 DEEDHN COCCCN1CCC(NC(=O)Nc2c(C)noc2C)CC1 ZINC000330602194 226017648 /nfs/dbraw/zinc/01/76/48/226017648.db2.gz ZZRUNMGIBSSGOG-UHFFFAOYSA-N 0 3 310.398 2.118 20 30 DEEDHN N#CCCOCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000339096063 226178603 /nfs/dbraw/zinc/17/86/03/226178603.db2.gz HMJMXADINMXEBS-UHFFFAOYSA-N 0 3 306.381 2.125 20 30 DEEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CSCC#N)N(C)C ZINC000344273853 226578290 /nfs/dbraw/zinc/57/82/90/226578290.db2.gz VAICJOZBKSOEFQ-CJNGLKHVSA-N 0 3 305.447 2.359 20 30 DEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(C(F)F)CC2)cc1 ZINC000348746655 226655581 /nfs/dbraw/zinc/65/55/81/226655581.db2.gz MUPBLTYGKWLEBK-CYBMUJFWSA-N 0 3 303.312 2.402 20 30 DEEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000291390012 222360817 /nfs/dbraw/zinc/36/08/17/222360817.db2.gz XJWAUWYNGMKHPH-RHSMWYFYSA-N 0 3 317.433 2.397 20 30 DEEDHN C#CCN1CCC(C(=O)Nc2cc(-c3ccccc3)[nH]n2)CC1 ZINC000490594473 421192262 /nfs/dbraw/zinc/19/22/62/421192262.db2.gz PHPORPXECSHJIT-UHFFFAOYSA-N 0 3 308.385 2.360 20 30 DEEDHN C=C(C)CN1CCC(Nc2nc3c(cc2C#N)COCC3)CC1 ZINC000519624202 421708459 /nfs/dbraw/zinc/70/84/59/421708459.db2.gz KFBSIBLWBFTUOE-UHFFFAOYSA-N 0 3 312.417 2.478 20 30 DEEDHN CC(C)CN(CCN(C)C)C(=O)NCC#Cc1ccccc1 ZINC000045431558 424816887 /nfs/dbraw/zinc/81/68/87/424816887.db2.gz ICCAFBLCXVYBST-UHFFFAOYSA-N 0 3 301.434 2.267 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369696642 424876195 /nfs/dbraw/zinc/87/61/95/424876195.db2.gz XTWYNOVRRYKRIF-AWEZNQCLSA-N 0 3 319.453 3.016 20 30 DEEDHN Cc1ccc([C@@H](CNc2cc(C#N)ncn2)N2CCCC2)cc1 ZINC000569667705 424924328 /nfs/dbraw/zinc/92/43/28/424924328.db2.gz CJUISKLFICWVSB-QGZVFWFLSA-N 0 3 307.401 2.906 20 30 DEEDHN C=CCC1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCCC1 ZINC000648936847 424931954 /nfs/dbraw/zinc/93/19/54/424931954.db2.gz PQXPATFVPUSANC-KRWDZBQOSA-N 0 3 319.493 2.361 20 30 DEEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CCN1Cc1ccccc1 ZINC000574052773 424941399 /nfs/dbraw/zinc/94/13/99/424941399.db2.gz BGTMVOQLHZZDKA-PBHICJAKSA-N 0 3 321.428 3.000 20 30 DEEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CN1Cc1ccccc1 ZINC000563636735 424899324 /nfs/dbraw/zinc/89/93/24/424899324.db2.gz PSFMTYLGHQAICN-CZUORRHYSA-N 0 3 307.401 2.610 20 30 DEEDHN N#Cc1ccc(N[C@@H](CN2CCCC2)c2ccccc2)nc1N ZINC000580094949 424966655 /nfs/dbraw/zinc/96/66/55/424966655.db2.gz CGZZCGQLMFTGAH-INIZCTEOSA-N 0 3 307.401 2.784 20 30 DEEDHN COc1ccc([C@@H](CNc2cc(C#N)cnn2)N2CCCC2)cc1 ZINC000596054033 425016642 /nfs/dbraw/zinc/01/66/42/425016642.db2.gz KENUSTCMAAZADU-QGZVFWFLSA-N 0 3 323.400 2.606 20 30 DEEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)COCC2)c1ccccc1 ZINC000450213199 425064489 /nfs/dbraw/zinc/06/44/89/425064489.db2.gz FBZICZXZAMHAKX-SFHVURJKSA-N 0 3 322.412 2.741 20 30 DEEDHN C=C(C)COc1cc(CNCC[C@@]2(O)CCOC2)ccc1OC ZINC000651942312 425152807 /nfs/dbraw/zinc/15/28/07/425152807.db2.gz CGYKQKJDNMXINK-GOSISDBHSA-N 0 3 321.417 2.281 20 30 DEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000660706034 425212516 /nfs/dbraw/zinc/21/25/16/425212516.db2.gz ZTAVQUFPSXCXAD-PMPSAXMXSA-N 0 3 309.454 2.141 20 30 DEEDHN C=CCCC(C)(C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000664177196 425323464 /nfs/dbraw/zinc/32/34/64/425323464.db2.gz YTPMTKBNCHBVCE-UHFFFAOYSA-N 0 3 310.486 2.058 20 30 DEEDHN O=C(NCC#Cc1ccccc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654362376 425333707 /nfs/dbraw/zinc/33/37/07/425333707.db2.gz PGDKHMPYPQMFMM-MSOLQXFVSA-N 0 3 311.429 2.354 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)[C@H](C)O)CC1 ZINC000664018646 425289483 /nfs/dbraw/zinc/28/94/83/425289483.db2.gz BCUCMSKLILKLET-YOEHRIQHSA-N 0 3 317.433 2.058 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H](C(C)C)C2(CO)CCC2)CC1 ZINC000664021379 425289978 /nfs/dbraw/zinc/28/99/78/425289978.db2.gz YAEHECQTRPNUTB-MRXNPFEDSA-N 0 3 323.481 2.123 20 30 DEEDHN C=C[C@H](CO)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000664126222 425312688 /nfs/dbraw/zinc/31/26/88/425312688.db2.gz OWULQCHUUNWYKZ-SJORKVTESA-N 0 3 317.433 2.060 20 30 DEEDHN OCC1([C@H](NCC#Cc2ccc(F)cc2)C2CC2)CCOCC1 ZINC000661082495 425315209 /nfs/dbraw/zinc/31/52/09/425315209.db2.gz YXPRWKDHGRRSKZ-GOSISDBHSA-N 0 3 317.404 2.335 20 30 DEEDHN C=CCN(CCC(=O)N1CCc2ccccc21)[C@H](C)COC ZINC000661240632 425358919 /nfs/dbraw/zinc/35/89/19/425358919.db2.gz PEESMQAINQBCTB-OAHLLOKOSA-N 0 3 302.418 2.489 20 30 DEEDHN C=CCN(CCc1c(C)nc2sccn2c1=O)[C@H](C)COC ZINC000661240347 425359158 /nfs/dbraw/zinc/35/91/58/425359158.db2.gz NMJAWNCUELIEPS-GFCCVEGCSA-N 0 3 321.446 2.130 20 30 DEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661984797 425535718 /nfs/dbraw/zinc/53/57/18/425535718.db2.gz WVUHOVOQDDHTSR-BBWFWOEESA-N 0 3 319.449 2.132 20 30 DEEDHN C=C[C@H](CO)NCCC(=O)Nc1ccccc1C(F)(F)F ZINC000662168333 425581315 /nfs/dbraw/zinc/58/13/15/425581315.db2.gz BQKDOPYZGVCNBU-SNVBAGLBSA-N 0 3 302.296 2.171 20 30 DEEDHN C=CCC1(NC(=O)c2cc3c(s2)CCNC3)CCOCC1 ZINC000662874778 425753164 /nfs/dbraw/zinc/75/31/64/425753164.db2.gz QCOTUASPBLCJAX-UHFFFAOYSA-N 0 3 306.431 2.249 20 30 DEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)c3cccnc3)C2)s1 ZINC000370524080 268076381 /nfs/dbraw/zinc/07/63/81/268076381.db2.gz ROZJPOCJLXAGIX-ZDUSSCGKSA-N 0 3 312.398 2.019 20 30 DEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCc2c1cccc2O ZINC000528515313 268299368 /nfs/dbraw/zinc/29/93/68/268299368.db2.gz DEORJCGPVXPDTJ-YOEHRIQHSA-N 0 3 324.380 2.281 20 30 DEEDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(C#N)o2)C1 ZINC000495567019 269155430 /nfs/dbraw/zinc/15/54/30/269155430.db2.gz SGKWRYCTFAYZPI-OLZOCXBDSA-N 0 3 305.378 2.498 20 30 DEEDHN CN(CCC(=O)NCCc1cccc(C#N)c1)c1ccncc1 ZINC000514700620 269328063 /nfs/dbraw/zinc/32/80/63/269328063.db2.gz QTLHSTQVYIGWCE-UHFFFAOYSA-N 0 3 308.385 2.138 20 30 DEEDHN CS[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1N1CCCC1 ZINC000425246769 274182311 /nfs/dbraw/zinc/18/23/11/274182311.db2.gz WTYBLOQUNWSENC-HZPDHXFCSA-N 0 3 302.447 2.278 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nn(CC)nc1C)C(C)C ZINC000294860684 275425939 /nfs/dbraw/zinc/42/59/39/275425939.db2.gz SZANXLWFIYTYJK-OAHLLOKOSA-N 0 3 319.453 2.035 20 30 DEEDHN CC1(C#N)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280308972 276096624 /nfs/dbraw/zinc/09/66/24/276096624.db2.gz NKQUXEVIDMZKMG-INIZCTEOSA-N 0 3 306.369 2.393 20 30 DEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCOCC2)CC1 ZINC000367458371 277846183 /nfs/dbraw/zinc/84/61/83/277846183.db2.gz KOQYTSAEGYETGJ-INIZCTEOSA-N 0 3 306.450 2.468 20 30 DEEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000360016411 277878548 /nfs/dbraw/zinc/87/85/48/277878548.db2.gz MUTWJIDGMIMVLU-GJZGRUSLSA-N 0 3 315.479 2.305 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@H]1C ZINC001088924340 782050953 /nfs/dbraw/zinc/05/09/53/782050953.db2.gz QIBGZOJEMJIYOQ-OLZOCXBDSA-N 0 3 305.447 2.482 20 30 DEEDHN C[C@@H]1C[C@H](O)CN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000329906406 278031508 /nfs/dbraw/zinc/03/15/08/278031508.db2.gz KDFFBETYZNIEGS-RDBSUJKOSA-N 0 3 323.462 2.254 20 30 DEEDHN C[C@](C#N)(NC(=O)CN1CC[C@H](C2CCOCC2)C1)C1CC1 ZINC000328830614 280139020 /nfs/dbraw/zinc/13/90/20/280139020.db2.gz KPGJFUHVQBXUKH-WMLDXEAASA-N 0 3 305.422 2.384 20 30 DEEDHN CN1CC[C@@H]2CCN(C(=O)NCC3CCC(C#N)CC3)[C@H]2C1 ZINC000367018269 290151137 /nfs/dbraw/zinc/15/11/37/290151137.db2.gz WNGASFDABQUTBX-FJBKBRRZSA-N 0 3 304.438 2.052 20 30 DEEDHN Cn1nccc1[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329324044 303069401 /nfs/dbraw/zinc/06/94/01/303069401.db2.gz VJUVPMOVYJKHFY-BBRMVZONSA-N 0 3 317.437 2.098 20 30 DEEDHN N#CCCN(CCC#N)C(=O)CN1CCCC2(CCCC2)C1 ZINC000331707803 303152166 /nfs/dbraw/zinc/15/21/66/303152166.db2.gz XOYUYYDMFXLCTP-UHFFFAOYSA-N 0 3 302.422 2.299 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc3ccccn3c2F)[C@H]1C ZINC001088957865 782081617 /nfs/dbraw/zinc/08/16/17/782081617.db2.gz ATEBBYGCUBZFTA-OLZOCXBDSA-N 0 3 316.380 2.242 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H]1C ZINC001088958488 782078903 /nfs/dbraw/zinc/07/89/03/782078903.db2.gz CZCDBJVHYUUANL-PBHICJAKSA-N 0 3 309.413 2.394 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2coc(C3CCC3)n2)[C@H]1C ZINC001088966541 782086953 /nfs/dbraw/zinc/08/69/53/782086953.db2.gz MKNBRIOZPHTZEH-OCCSQVGLSA-N 0 3 301.390 2.158 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@H]1C ZINC001088976794 782094222 /nfs/dbraw/zinc/09/42/22/782094222.db2.gz PNIYIAVIHDRZFT-WBVHZDCISA-N 0 3 309.413 2.464 20 30 DEEDHN CC[C@H](CNc1ccc(C(=O)OC)nc1C#N)N1CCCC1 ZINC000572541496 325947320 /nfs/dbraw/zinc/94/73/20/325947320.db2.gz BORAMLQFLKIJPU-GFCCVEGCSA-N 0 3 302.378 2.026 20 30 DEEDHN Cc1cc(CNCc2ccnc(OCCN(C)C)c2)ccc1C#N ZINC000443999969 533709364 /nfs/dbraw/zinc/70/93/64/533709364.db2.gz VKYXUYPWYNDYMO-UHFFFAOYSA-N 0 3 324.428 2.492 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000518729203 332137199 /nfs/dbraw/zinc/13/71/99/332137199.db2.gz OEZIXAKNZMNHTF-PBHICJAKSA-N 0 3 315.417 2.435 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000560413768 332338008 /nfs/dbraw/zinc/33/80/08/332338008.db2.gz ZZYVCYRQNHTXNE-XHSDSOJGSA-N 0 3 307.438 2.036 20 30 DEEDHN Cn1c(NC(=O)[C@H](N)CCCC#N)nc2cccc(Cl)c21 ZINC000580324049 333164401 /nfs/dbraw/zinc/16/44/01/333164401.db2.gz WIHFDLWNEFKKFI-SNVBAGLBSA-N 0 3 305.769 2.186 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCN1CCCC[C@@H]1CC ZINC000582045292 333185041 /nfs/dbraw/zinc/18/50/41/333185041.db2.gz KVMSZUFKBUSMPX-XHSDSOJGSA-N 0 3 309.454 2.284 20 30 DEEDHN C=CCN1CC[C@@H](N2CCC[C@H]2Cc2cccc(OC)c2)C1=O ZINC000518782381 333199696 /nfs/dbraw/zinc/19/96/96/333199696.db2.gz WHIKLQSMFIZLIU-FUHWJXTLSA-N 0 3 314.429 2.489 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cc(C)c3nccn3c2)CC1 ZINC000297061878 335148907 /nfs/dbraw/zinc/14/89/07/335148907.db2.gz TUNRGKHRCPRNAU-UHFFFAOYSA-N 0 3 313.405 2.415 20 30 DEEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000571532229 333814398 /nfs/dbraw/zinc/81/43/98/333814398.db2.gz ORBSWIIPARCMTC-ZDUSSCGKSA-N 0 3 315.417 2.132 20 30 DEEDHN CN(C)CCOc1cccc(NC(=O)N2CC(C)(C#N)C2)c1 ZINC000344177554 335227846 /nfs/dbraw/zinc/22/78/46/335227846.db2.gz WBPLGVUJHATDJX-UHFFFAOYSA-N 0 3 302.378 2.004 20 30 DEEDHN C=CCN1CCC(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)CC1 ZINC000176244141 337149581 /nfs/dbraw/zinc/14/95/81/337149581.db2.gz MVZVVTHWGBEGTF-HNAYVOBHSA-N 0 3 316.445 2.308 20 30 DEEDHN C=CCN(CC=C)C(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185585787 337249312 /nfs/dbraw/zinc/24/93/12/337249312.db2.gz UBYWEVMGRQINAR-ZBFHGGJFSA-N 0 3 300.402 2.341 20 30 DEEDHN COc1ccc(CNCCn2cccn2)cc1OCCCC#N ZINC000237164595 337468330 /nfs/dbraw/zinc/46/83/30/337468330.db2.gz JOKBSSLEUZPZSC-UHFFFAOYSA-N 0 3 314.389 2.364 20 30 DEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccn(CC)n1)C(C)C ZINC000572288577 337605188 /nfs/dbraw/zinc/60/51/88/337605188.db2.gz AAKIWBCZNFCMAU-MRXNPFEDSA-N 0 3 304.438 2.331 20 30 DEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CCCCO)C(C)C ZINC000276446292 337664936 /nfs/dbraw/zinc/66/49/36/337664936.db2.gz LDXRXCOAAYHRBS-INIZCTEOSA-N 0 3 311.470 2.099 20 30 DEEDHN C=C1CCC(C(=O)NC[C@@H](CC)NC(=O)[C@H](CC)N(C)C)CC1 ZINC001356921819 1152181495 /nfs/dbraw/zinc/18/14/95/1152181495.db2.gz VNBJBEMYKMIILV-CVEARBPZSA-N 0 3 323.481 2.084 20 30 DEEDHN N#CCCC[C@H](N)C(=O)NCc1ccsc1Br ZINC000424168006 337790546 /nfs/dbraw/zinc/79/05/46/337790546.db2.gz FMYGKEOOSNWHJS-VIFPVBQESA-N 0 3 316.224 2.148 20 30 DEEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCOCCC#N)C1 ZINC000496399805 340004639 /nfs/dbraw/zinc/00/46/39/340004639.db2.gz CWSVBKWDNSDILG-ZIAGYGMSSA-N 0 3 311.426 2.152 20 30 DEEDHN C[C@H]1C(=NNC2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000496443892 340005624 /nfs/dbraw/zinc/00/56/24/340005624.db2.gz NLQDZDKIYXYAPA-LBPRGKRZSA-N 0 3 310.442 2.056 20 30 DEEDHN CC(C#N)C(=O)N[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000497056875 340019204 /nfs/dbraw/zinc/01/92/04/340019204.db2.gz MDNIIGNMIBXEJB-UMSGYPCISA-N 0 3 309.410 2.296 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCC)CCN1CCCC1 ZINC000504111335 340141080 /nfs/dbraw/zinc/14/10/80/340141080.db2.gz UMGACOBTOVFRLK-IAGOWNOFSA-N 0 3 323.481 2.485 20 30 DEEDHN CC#CCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000541749755 340982622 /nfs/dbraw/zinc/98/26/22/340982622.db2.gz RSUOGEJBNNETOU-UHFFFAOYSA-N 0 3 314.429 2.034 20 30 DEEDHN C#CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000072488822 341086372 /nfs/dbraw/zinc/08/63/72/341086372.db2.gz VADKZACDDIDXOP-CQSZACIVSA-N 0 3 305.447 2.454 20 30 DEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000132413451 341122406 /nfs/dbraw/zinc/12/24/06/341122406.db2.gz GODBNELGGMQKDK-HZPDHXFCSA-N 0 3 306.450 2.042 20 30 DEEDHN CCC1(CC)[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)[C@H]1OC ZINC000248836931 341388219 /nfs/dbraw/zinc/38/82/19/341388219.db2.gz NWHQWKZOZMWEJA-BASLNEPJSA-N 0 3 321.465 2.224 20 30 DEEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000580655031 341893072 /nfs/dbraw/zinc/89/30/72/341893072.db2.gz AOSAEPMEGVBCIY-XJKSGUPXSA-N 0 3 321.380 2.242 20 30 DEEDHN CC[C@H](CNC(=O)C[C@@H](C)OC)NCc1ccc(C#N)c(F)c1 ZINC001378244217 1152248054 /nfs/dbraw/zinc/24/80/54/1152248054.db2.gz MSIFSYJDBAGSJU-IUODEOHRSA-N 0 3 321.396 2.107 20 30 DEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC001357304440 1152284787 /nfs/dbraw/zinc/28/47/87/1152284787.db2.gz XPPFBNHARYOHLJ-HNNXBMFYSA-N 0 3 303.406 2.319 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001378440518 1152328779 /nfs/dbraw/zinc/32/87/79/1152328779.db2.gz ZRMUSWSJAACKLU-JQFCIGGWSA-N 0 3 310.401 2.235 20 30 DEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)Cc2cccc(OCC)n2)C1 ZINC001330014305 1149034536 /nfs/dbraw/zinc/03/45/36/1149034536.db2.gz WRDHNGQUWVIVJH-CQSZACIVSA-N 0 3 317.433 2.035 20 30 DEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)[C@H]1C ZINC001089077613 782154328 /nfs/dbraw/zinc/15/43/28/782154328.db2.gz PXWBVHDXBLFGOF-XPKDYRNWSA-N 0 3 318.465 2.296 20 30 DEEDHN C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)c1ccncc1 ZINC001378724865 1152425095 /nfs/dbraw/zinc/42/50/95/1152425095.db2.gz DYAHWAKIEHZKCB-LBPRGKRZSA-N 0 3 314.414 2.265 20 30 DEEDHN C[C@H](O)CCCN1C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001330202476 1149068322 /nfs/dbraw/zinc/06/83/22/1149068322.db2.gz IQRPYHFSWAURKE-GJZGRUSLSA-N 0 3 308.466 2.024 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)CCc2c(C)n[nH]c2C)C(C)(C)C1 ZINC001330245462 1149078326 /nfs/dbraw/zinc/07/83/26/1149078326.db2.gz SQDXDBBDXAJANG-MRXNPFEDSA-N 0 3 318.465 2.362 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)CCCc2ccccn2)C(C)(C)C1 ZINC001330244440 1149077954 /nfs/dbraw/zinc/07/79/54/1149077954.db2.gz LRYVLRIFFBODSM-KRWDZBQOSA-N 0 3 313.445 2.254 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)CCCc2ccccn2)C(C)(C)C1 ZINC001330244442 1149079287 /nfs/dbraw/zinc/07/92/87/1149079287.db2.gz LRYVLRIFFBODSM-QGZVFWFLSA-N 0 3 313.445 2.254 20 30 DEEDHN Cc1cc(F)cc2c1CN(CCC(=O)N(C)CCC#N)CC2 ZINC000337466271 533848784 /nfs/dbraw/zinc/84/87/84/533848784.db2.gz SJFURXKSMVNTEM-UHFFFAOYSA-N 0 3 303.381 2.254 20 30 DEEDHN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CCCCN1C ZINC001401279407 1161913785 /nfs/dbraw/zinc/91/37/85/1161913785.db2.gz DLEUVSZQJOZSAH-CABCVRRESA-N 0 3 315.889 2.344 20 30 DEEDHN C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001441034034 1181831905 /nfs/dbraw/zinc/83/19/05/1181831905.db2.gz KBCUHHBLNZLRJY-ZIAGYGMSSA-N 0 3 301.862 2.050 20 30 DEEDHN C=C(Cl)CN(C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001445817000 1184069566 /nfs/dbraw/zinc/06/95/66/1184069566.db2.gz MMUDQQWXPFLCGG-ZDUSSCGKSA-N 0 3 303.878 2.153 20 30 DEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@@H](C)CO)C1 ZINC000330569018 534132315 /nfs/dbraw/zinc/13/23/15/534132315.db2.gz DJPSLPAKXNZRKT-LZWOXQAQSA-N 0 3 305.422 2.049 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3ccccc3C)[C@@H]2C1 ZINC001330365952 1149099611 /nfs/dbraw/zinc/09/96/11/1149099611.db2.gz RSWJWJAHIKKRMR-OWYHZJEWSA-N 0 3 310.441 2.101 20 30 DEEDHN C[S@@](=O)C1(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000441377450 534190670 /nfs/dbraw/zinc/19/06/70/534190670.db2.gz LIFVPWCXGBLMGR-OAQYLSRUSA-N 0 3 306.431 2.370 20 30 DEEDHN CC(=O)N(C)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000155910597 519439297 /nfs/dbraw/zinc/43/92/97/519439297.db2.gz XTOZQKGZTSCGHK-UHFFFAOYSA-N 0 3 315.417 2.270 20 30 DEEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000104101728 519653910 /nfs/dbraw/zinc/65/39/10/519653910.db2.gz DESPEDFUKJGSAQ-UHFFFAOYSA-N 0 3 321.384 2.305 20 30 DEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000451674879 534571476 /nfs/dbraw/zinc/57/14/76/534571476.db2.gz OGCXDADFZVOEAK-CVEARBPZSA-N 0 3 302.374 2.151 20 30 DEEDHN C=CCC1(C(=O)N(C)CCCN2CCN(C)CC2)CCCC1 ZINC000449852998 534580532 /nfs/dbraw/zinc/58/05/32/534580532.db2.gz AIYABKRGIRBSEZ-UHFFFAOYSA-N 0 3 307.482 2.219 20 30 DEEDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccccc1C#N ZINC000245751351 525558664 /nfs/dbraw/zinc/55/86/64/525558664.db2.gz BUTTTXAULGZJKZ-SDNTUTLCSA-N 0 3 313.401 2.432 20 30 DEEDHN CC#CCN(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000294702832 526355213 /nfs/dbraw/zinc/35/52/13/526355213.db2.gz XKXBLYWITQIRAX-UHFFFAOYSA-N 0 3 313.445 2.312 20 30 DEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000174776483 526439989 /nfs/dbraw/zinc/43/99/89/526439989.db2.gz SSXFDZUEGXNHBJ-JKSUJKDBSA-N 0 3 321.465 2.284 20 30 DEEDHN C=CCN1CCC(NC(=O)Nc2cnc(C)nc2C2CC2)CC1 ZINC000333125056 526442489 /nfs/dbraw/zinc/44/24/89/526442489.db2.gz VPQJHSIVCGVQAL-UHFFFAOYSA-N 0 3 315.421 2.434 20 30 DEEDHN C=C(C)CN(CC)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341524503 526530847 /nfs/dbraw/zinc/53/08/47/526530847.db2.gz JJDDHCQCWJRITB-UHFFFAOYSA-N 0 3 311.470 2.483 20 30 DEEDHN C=C(C)CN(CC)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176626483 526530910 /nfs/dbraw/zinc/53/09/10/526530910.db2.gz RQIGMXBPMVUWQO-UHFFFAOYSA-N 0 3 311.470 2.483 20 30 DEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429294813 526538987 /nfs/dbraw/zinc/53/89/87/526538987.db2.gz SEROESNPXZONKD-UKRRQHHQSA-N 0 3 302.418 2.262 20 30 DEEDHN C=C(C)COc1cc(CN[C@H]2C(=O)NCC[C@H]2C)ccc1OC ZINC000193696588 526662203 /nfs/dbraw/zinc/66/22/03/526662203.db2.gz CKZCXQMUCNUCAY-CXAGYDPISA-N 0 3 318.417 2.264 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](n3cccn3)C2)c1 ZINC000102410349 526716171 /nfs/dbraw/zinc/71/61/71/526716171.db2.gz NFZRAHFNCHCIEJ-QGZVFWFLSA-N 0 3 323.400 2.420 20 30 DEEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H](n3cccn3)C2)c1 ZINC000102410348 526716825 /nfs/dbraw/zinc/71/68/25/526716825.db2.gz NFZRAHFNCHCIEJ-KRWDZBQOSA-N 0 3 323.400 2.420 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000369757137 526724129 /nfs/dbraw/zinc/72/41/29/526724129.db2.gz KBQAHLCOFVTUOW-KBXCAEBGSA-N 0 3 312.413 2.155 20 30 DEEDHN C#CCCN1CCC(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000369757138 526724157 /nfs/dbraw/zinc/72/41/57/526724157.db2.gz KBQAHLCOFVTUOW-KDOFPFPSSA-N 0 3 312.413 2.155 20 30 DEEDHN C#CCCS(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000377288144 526749322 /nfs/dbraw/zinc/74/93/22/526749322.db2.gz HSYCOOSSPTZOIN-OAHLLOKOSA-N 0 3 320.458 2.155 20 30 DEEDHN C=CCOCCN1CCC(n2cc(Br)cn2)CC1 ZINC000338992618 526771425 /nfs/dbraw/zinc/77/14/25/526771425.db2.gz QVKZRIQEZHLAPG-UHFFFAOYSA-N 0 3 314.227 2.485 20 30 DEEDHN C#CCN(C)CCCN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000294865295 526827201 /nfs/dbraw/zinc/82/72/01/526827201.db2.gz CHESGLWPCDKVBA-MRXNPFEDSA-N 0 3 300.381 2.183 20 30 DEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000437987004 526831456 /nfs/dbraw/zinc/83/14/56/526831456.db2.gz OEHDVVQUQVUYPN-NVXWUHKLSA-N 0 3 321.465 2.237 20 30 DEEDHN C=CCOc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000341261543 526890954 /nfs/dbraw/zinc/89/09/54/526890954.db2.gz GOFUWUOQZZJWEW-FUHWJXTLSA-N 0 3 300.402 2.398 20 30 DEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000375874243 527025494 /nfs/dbraw/zinc/02/54/94/527025494.db2.gz KWLJDSDEHQVFCH-GOSISDBHSA-N 0 3 319.493 2.382 20 30 DEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000369618161 527025988 /nfs/dbraw/zinc/02/59/88/527025988.db2.gz BJMJEHWWMLSABV-RDJZCZTQSA-N 0 3 314.429 2.088 20 30 DEEDHN C#CCO[C@@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000294585283 527073952 /nfs/dbraw/zinc/07/39/52/527073952.db2.gz YEYPODXJRWCWGL-WMLDXEAASA-N 0 3 302.418 2.006 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](O)[C@H]1C ZINC000451450929 527265142 /nfs/dbraw/zinc/26/51/42/527265142.db2.gz CBOJDZXDRZTHFS-DJIMGWMZSA-N 0 3 305.418 2.000 20 30 DEEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](O)[C@@H]1C ZINC000451450934 527265392 /nfs/dbraw/zinc/26/53/92/527265392.db2.gz CBOJDZXDRZTHFS-USXIJHARSA-N 0 3 305.418 2.000 20 30 DEEDHN C=CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000295925181 527270364 /nfs/dbraw/zinc/27/03/64/527270364.db2.gz KGYFGLCFSPJWJR-CQSZACIVSA-N 0 3 314.437 2.380 20 30 DEEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000369360605 527461455 /nfs/dbraw/zinc/46/14/55/527461455.db2.gz XXMYVYXBJYOINP-MRXNPFEDSA-N 0 3 321.465 2.420 20 30 DEEDHN CC(C)c1nc(CON=C(N)c2ccc(CN(C)C)cc2)no1 ZINC000266997307 528285199 /nfs/dbraw/zinc/28/51/99/528285199.db2.gz FHGDQKBAZXLTBU-UHFFFAOYSA-N 0 3 317.393 2.092 20 30 DEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000353215132 528697279 /nfs/dbraw/zinc/69/72/79/528697279.db2.gz URLVJHZETBXKMC-CHWSQXEVSA-N 0 3 313.405 2.222 20 30 DEEDHN CCN1CCC[C@@H]1CN(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000338078995 529063636 /nfs/dbraw/zinc/06/36/36/529063636.db2.gz VTGDKJGPBZQOBG-QGZVFWFLSA-N 0 3 317.408 2.303 20 30 DEEDHN CN(C)CCOC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000356218672 535892652 /nfs/dbraw/zinc/89/26/52/535892652.db2.gz KXWDYXQFDHYCSF-UHFFFAOYSA-N 0 3 308.813 2.154 20 30 DEEDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000451635127 536645049 /nfs/dbraw/zinc/64/50/49/536645049.db2.gz WJOFIGFNYLCRDY-CHWSQXEVSA-N 0 3 307.419 2.332 20 30 DEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(F)c(C#N)c1)C2 ZINC000360691422 536841710 /nfs/dbraw/zinc/84/17/10/536841710.db2.gz MNFNLLVEPNYJBS-YOEHRIQHSA-N 0 3 302.349 2.472 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)c1cc(OCC)no1)C(C)C ZINC001378970769 1152512905 /nfs/dbraw/zinc/51/29/05/1152512905.db2.gz JIZDEKOMWBZEON-NSHDSACASA-N 0 3 315.801 2.170 20 30 DEEDHN C=C1CCN(c2nnc(CC)n2CCN2CC=CCC2)CC1 ZINC001359166469 1152555450 /nfs/dbraw/zinc/55/54/50/1152555450.db2.gz SOKQOSSZNNWCLR-UHFFFAOYSA-N 0 3 301.438 2.259 20 30 DEEDHN C=CC[N@@H+](CCCOCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419535 599129902 /nfs/dbraw/zinc/12/99/02/599129902.db2.gz UPQGALYLWBAXFP-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@H+](CCCOCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419535 599129904 /nfs/dbraw/zinc/12/99/04/599129904.db2.gz UPQGALYLWBAXFP-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@@H+](CCCOCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419535 599129907 /nfs/dbraw/zinc/12/99/07/599129907.db2.gz UPQGALYLWBAXFP-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN C=CC[N@H+](CCCOCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419535 599129910 /nfs/dbraw/zinc/12/99/10/599129910.db2.gz UPQGALYLWBAXFP-UHFFFAOYSA-N 0 3 301.394 2.281 20 30 DEEDHN N#CCC1CC[NH+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000826380920 609430853 /nfs/dbraw/zinc/43/08/53/609430853.db2.gz QMBSSWBIUOEFOI-UHFFFAOYSA-N 0 3 321.388 2.245 20 30 DEEDHN N#CCC1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000826380920 609430854 /nfs/dbraw/zinc/43/08/54/609430854.db2.gz QMBSSWBIUOEFOI-UHFFFAOYSA-N 0 3 321.388 2.245 20 30 DEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C)ncn1 ZINC001025222518 625280317 /nfs/dbraw/zinc/28/03/17/625280317.db2.gz VJZZIPIMDSJFQJ-SJORKVTESA-N 0 3 314.433 2.430 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(OC)no1 ZINC001025224072 625285093 /nfs/dbraw/zinc/28/50/93/625285093.db2.gz LDLFOOLAXADRCG-UONOGXRCSA-N 0 3 319.405 2.328 20 30 DEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1=CCOCC1 ZINC001025223772 625285219 /nfs/dbraw/zinc/28/52/19/625285219.db2.gz GGWPFDQVMRQJSA-ZWKOTPCHSA-N 0 3 316.445 2.202 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(COC)c2)C1 ZINC001023472297 625285417 /nfs/dbraw/zinc/28/54/17/625285417.db2.gz VFZQGQZCMFOXBV-QGZVFWFLSA-N 0 3 314.429 2.298 20 30 DEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001025223717 625285626 /nfs/dbraw/zinc/28/56/26/625285626.db2.gz FPIVZDGRIHQPHI-DLBZAZTESA-N 0 3 300.402 2.301 20 30 DEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1nn(C)cc1C ZINC001025229281 625288389 /nfs/dbraw/zinc/28/83/89/625288389.db2.gz IJYLOHVTFOUUDF-JKSUJKDBSA-N 0 3 316.449 2.374 20 30 DEEDHN CC#CCN1CCC[C@H](CNC(=O)c2onc3c2CCCC3)C1 ZINC001023486471 625292998 /nfs/dbraw/zinc/29/29/98/625292998.db2.gz 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C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC000971594691 624191497 /nfs/dbraw/zinc/19/14/97/624191497.db2.gz UCCNUEXBBWGROC-MRXNPFEDSA-N 0 3 315.417 2.286 20 30 DEEDHN N#Cc1ccc(CNC(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC000891578888 624482349 /nfs/dbraw/zinc/48/23/49/624482349.db2.gz BWCYCPGRRZSZMO-GOSISDBHSA-N 0 3 320.396 2.072 20 30 DEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NCc2ccccn2)C1 ZINC001022202784 624497414 /nfs/dbraw/zinc/49/74/14/624497414.db2.gz LABPAJMTBDDCEK-IYBDPMFKSA-N 0 3 310.401 2.120 20 30 DEEDHN COc1ccc(F)cc1CN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998745421 634391939 /nfs/dbraw/zinc/39/19/39/634391939.db2.gz IDZAWTWVSRUWBU-IUODEOHRSA-N 0 3 319.380 2.075 20 30 DEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000998748029 634393924 /nfs/dbraw/zinc/39/39/24/634393924.db2.gz UUYIRQPIRRECFP-XHDPSFHLSA-N 0 3 307.344 2.205 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnoc2-c2ccco2)C1 ZINC000971813359 624603364 /nfs/dbraw/zinc/60/33/64/624603364.db2.gz JXUHLFLYTWAPFR-LBPRGKRZSA-N 0 3 301.346 2.267 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2CCOC2)c1 ZINC000176091239 624623644 /nfs/dbraw/zinc/62/36/44/624623644.db2.gz JGLFZDMVURGPCO-UKRRQHHQSA-N 0 3 300.358 2.459 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001022392951 624630925 /nfs/dbraw/zinc/63/09/25/624630925.db2.gz VYMCRPRAGGSQDC-SOUVJXGZSA-N 0 3 320.820 2.227 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(C)C)nn2CC)C1 ZINC000971859904 624660348 /nfs/dbraw/zinc/66/03/48/624660348.db2.gz YGARACNCMFZMIA-AWEZNQCLSA-N 0 3 304.438 2.359 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000971884481 624685654 /nfs/dbraw/zinc/68/56/54/624685654.db2.gz GEVSTAGYSPBGTJ-AWEZNQCLSA-N 0 3 312.417 2.214 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccn3)C2)cc1 ZINC001022526190 624709499 /nfs/dbraw/zinc/70/94/99/624709499.db2.gz BHUJASCASVVIIJ-HDICACEKSA-N 0 3 305.381 2.114 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC000971939552 624723868 /nfs/dbraw/zinc/72/38/68/624723868.db2.gz JAEIGPFEQBJJIV-HZPDHXFCSA-N 0 3 318.392 2.238 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001027660484 634404737 /nfs/dbraw/zinc/40/47/37/634404737.db2.gz OKPHSDSVSCIERJ-MRXNPFEDSA-N 0 3 309.413 2.266 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC000972009338 624768883 /nfs/dbraw/zinc/76/88/83/624768883.db2.gz PSCLQMQDFIGORP-RDJZCZTQSA-N 0 3 314.429 2.498 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001022599465 624776400 /nfs/dbraw/zinc/77/64/00/624776400.db2.gz QEZWRKSZXJHOAQ-OCAPTIKFSA-N 0 3 306.218 2.399 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnn(C(C)C)c2Cl)C1 ZINC000972021101 624777877 /nfs/dbraw/zinc/77/78/77/624777877.db2.gz XGBIBYJAMJJHEG-GFCCVEGCSA-N 0 3 310.829 2.450 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3[nH]ccc3s2)C1 ZINC001027663627 634408690 /nfs/dbraw/zinc/40/86/90/634408690.db2.gz GONHFRMDXYBUGA-GFCCVEGCSA-N 0 3 301.415 2.399 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000972033357 624785980 /nfs/dbraw/zinc/78/59/80/624785980.db2.gz QILNZOPSLRJJHC-HNNXBMFYSA-N 0 3 310.401 2.409 20 30 DEEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCc3conc3C)C2)CC1 ZINC001022656093 624798789 /nfs/dbraw/zinc/79/87/89/624798789.db2.gz VZLWOJFVQFPESU-IYBDPMFKSA-N 0 3 303.406 2.466 20 30 DEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C(C)(C)C)oc3C)[C@@H]2C1 ZINC000978766469 634416110 /nfs/dbraw/zinc/41/61/10/634416110.db2.gz APXYFHYAZMXRCV-PHZGNYQRSA-N 0 3 314.429 2.426 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)on2)C1 ZINC000972201768 624887545 /nfs/dbraw/zinc/88/75/45/624887545.db2.gz FBAZCQAVBGQGOE-CQSZACIVSA-N 0 3 312.373 2.069 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001022794811 624929318 /nfs/dbraw/zinc/92/93/18/624929318.db2.gz DSLNHMMIBUMHME-VNHYZAJKSA-N 0 3 324.783 2.119 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1 ZINC001027672347 634421015 /nfs/dbraw/zinc/42/10/15/634421015.db2.gz YRGHUIKGQBWQMT-KRWDZBQOSA-N 0 3 314.429 2.184 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001024748321 625030933 /nfs/dbraw/zinc/03/09/33/625030933.db2.gz HMIKCANRWAYWPE-NSHDSACASA-N 0 3 311.838 2.404 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001024756647 625038046 /nfs/dbraw/zinc/03/80/46/625038046.db2.gz TZJIOKZURWKPSF-ZBFHGGJFSA-N 0 3 316.449 2.061 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001024792571 625056238 /nfs/dbraw/zinc/05/62/38/625056238.db2.gz KQCITKRHQJVXGG-MRXNPFEDSA-N 0 3 322.412 2.237 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001024807290 625064136 /nfs/dbraw/zinc/06/41/36/625064136.db2.gz BCDNJPCYOKORNK-HNNXBMFYSA-N 0 3 316.449 2.380 20 30 DEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2CN(C/C=C\Cl)C[C@@H]12 ZINC000978842581 634433553 /nfs/dbraw/zinc/43/35/53/634433553.db2.gz QLJBAHXNOCKVKH-NWOYSRRLSA-N 0 3 324.852 2.014 20 30 DEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC001025981273 625101702 /nfs/dbraw/zinc/10/17/02/625101702.db2.gz SKRACPTXNLTLFA-KVSVUVNWSA-N 0 3 302.340 2.197 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001023018058 625135793 /nfs/dbraw/zinc/13/57/93/625135793.db2.gz YJCNQBKHUOAFRI-TXEJJXNPSA-N 0 3 324.808 2.307 20 30 DEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001023068935 625149808 /nfs/dbraw/zinc/14/98/08/625149808.db2.gz NNRIGOLVGTWTSG-BETUJISGSA-N 0 3 318.808 2.246 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1cnn(C)c1 ZINC001025037644 625154660 /nfs/dbraw/zinc/15/46/60/625154660.db2.gz JKBYCHMQQKOCBK-MRXNPFEDSA-N 0 3 318.465 2.493 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCCC[C@H]1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001025040781 625157597 /nfs/dbraw/zinc/15/75/97/625157597.db2.gz LRXPAHIOLNAYNL-JSGCOSHPSA-N 0 3 319.453 2.357 20 30 DEEDHN CCC(=O)N1C[C@@H]2CC[C@@H](NCc3cc(F)ccc3C#N)[C@H]2C1 ZINC001026159784 625161729 /nfs/dbraw/zinc/16/17/29/625161729.db2.gz PMYHQDHKUKKZNJ-RRQGHBQHSA-N 0 3 315.392 2.434 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000947662593 625187326 /nfs/dbraw/zinc/18/73/26/625187326.db2.gz JHFKUHFBGPGUAQ-TZMCWYRMSA-N 0 3 306.356 2.110 20 30 DEEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000893195012 625219393 /nfs/dbraw/zinc/21/93/93/625219393.db2.gz PXHJQJZEQUVXGQ-CWRNSKLLSA-N 0 3 306.431 2.444 20 30 DEEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(C)noc2CCC)C1 ZINC001023365249 625240493 /nfs/dbraw/zinc/24/04/93/625240493.db2.gz AQFVVTDZHFXKBX-AWEZNQCLSA-N 0 3 303.406 2.011 20 30 DEEDHN C=CCN1CCC[C@H](CNC(=O)c2ncnc3sccc32)C1 ZINC001023374815 625245640 /nfs/dbraw/zinc/24/56/40/625245640.db2.gz AZABZANMZFRCAX-GFCCVEGCSA-N 0 3 316.430 2.319 20 30 DEEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)cnn1C(C)C ZINC000181259040 625255945 /nfs/dbraw/zinc/25/59/45/625255945.db2.gz RDOIAYPCXKHREI-LBPRGKRZSA-N 0 3 311.345 2.129 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(CC)n[nH]1 ZINC001025205432 625262184 /nfs/dbraw/zinc/26/21/84/625262184.db2.gz VGAQTRDYQJORQB-IAGOWNOFSA-N 0 3 314.433 2.064 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001007480997 625262330 /nfs/dbraw/zinc/26/23/30/625262330.db2.gz RHZCMOWTYIGWCF-NSHDSACASA-N 0 3 310.829 2.396 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1O ZINC001025201233 625262490 /nfs/dbraw/zinc/26/24/90/625262490.db2.gz KBGFQTFPYOSUQK-SJORKVTESA-N 0 3 312.413 2.485 20 30 DEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(F)nc1 ZINC001025207183 625269954 /nfs/dbraw/zinc/26/99/54/625269954.db2.gz FSHQVSBBGXEAGT-HZPDHXFCSA-N 0 3 315.392 2.313 20 30 DEEDHN C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001023446189 625271383 /nfs/dbraw/zinc/27/13/83/625271383.db2.gz LNGQNPKYYAPYKS-CABCVRRESA-N 0 3 313.873 2.051 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001027693765 634447930 /nfs/dbraw/zinc/44/79/30/634447930.db2.gz JDNWGNNCRHPZHY-DLBZAZTESA-N 0 3 301.434 2.222 20 30 DEEDHN C=C(Cl)CN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024361840 625721577 /nfs/dbraw/zinc/72/15/77/625721577.db2.gz AAWWKTPDGKXMKV-CYBMUJFWSA-N 0 3 310.829 2.363 20 30 DEEDHN CC#CCN1CCCC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001024482624 625806586 /nfs/dbraw/zinc/80/65/86/625806586.db2.gz HRBLASRBRCEHLW-LBPRGKRZSA-N 0 3 322.840 2.233 20 30 DEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001024491059 625813742 /nfs/dbraw/zinc/81/37/42/625813742.db2.gz UUGXBWBQYULIKT-INIZCTEOSA-N 0 3 324.428 2.250 20 30 DEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001024512227 625829691 /nfs/dbraw/zinc/82/96/91/625829691.db2.gz VPGDXKMLTZGOKY-MRXNPFEDSA-N 0 3 324.428 2.181 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001024520562 625840521 /nfs/dbraw/zinc/84/05/21/625840521.db2.gz LJOMBYKFKDKPCR-OAHLLOKOSA-N 0 3 308.401 2.013 20 30 DEEDHN CC(F)(F)C(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001019932661 625851072 /nfs/dbraw/zinc/85/10/72/625851072.db2.gz CHKUEUUBZQNKAU-HAQNSBGRSA-N 0 3 311.307 2.089 20 30 DEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001024550631 625870503 /nfs/dbraw/zinc/87/05/03/625870503.db2.gz LTCCALZMHIPXQK-MRXNPFEDSA-N 0 3 312.417 2.495 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C[C@H]1C ZINC000947304609 625881798 /nfs/dbraw/zinc/88/17/98/625881798.db2.gz IGDZOEPLFBWLMW-CABCVRRESA-N 0 3 316.449 2.150 20 30 DEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC000892496257 625895853 /nfs/dbraw/zinc/89/58/53/625895853.db2.gz XDIFMWJKIXUICP-NZUILWFCSA-N 0 3 312.369 2.458 20 30 DEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001024673829 625960067 /nfs/dbraw/zinc/96/00/67/625960067.db2.gz OOZHFJSKKJVFEC-AWEZNQCLSA-N 0 3 303.406 2.256 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000999109139 634486316 /nfs/dbraw/zinc/48/63/16/634486316.db2.gz PIGDBVUAHQFEMZ-MNSOJDNVSA-N 0 3 312.841 2.277 20 30 DEEDHN CN1CC[C@H](NC(=O)N2CCC[C@@H](C#N)C2)[C@H]1c1ccccc1 ZINC000921678285 634510779 /nfs/dbraw/zinc/51/07/79/634510779.db2.gz KGCPNJCDOMIVPL-BHYGNILZSA-N 0 3 312.417 2.377 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccon3)C[C@@H]2C1 ZINC000979538699 634675187 /nfs/dbraw/zinc/67/51/87/634675187.db2.gz MBWCLJLEINKLRN-XQQFMLRXSA-N 0 3 309.797 2.257 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)Cc3ccon3)C[C@@H]2C1 ZINC000979614202 634712047 /nfs/dbraw/zinc/71/20/47/634712047.db2.gz GDMVOXBIWZXUHW-MJBXVCDLSA-N 0 3 323.824 2.186 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cncnc3)C[C@@H]2C1 ZINC000979693548 634736311 /nfs/dbraw/zinc/73/63/11/634736311.db2.gz WVDRINYDNWNYLM-GUTXKFCHSA-N 0 3 320.824 2.059 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3=CCOCC3)C[C@@H]2C1 ZINC000979684822 634741425 /nfs/dbraw/zinc/74/14/25/634741425.db2.gz JPVUDPUSWYMQFY-ARFHVFGLSA-N 0 3 324.852 2.302 20 30 DEEDHN C=CC[C@@H](CO)NCc1ccc(C(F)(F)F)nc1N(C)C ZINC000893569061 634769375 /nfs/dbraw/zinc/76/93/75/634769375.db2.gz YMSYXNXYACRXER-NSHDSACASA-N 0 3 303.328 2.193 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCO[C@H]3C(C)C)CC2)CC1 ZINC001000172774 634776614 /nfs/dbraw/zinc/77/66/14/634776614.db2.gz POLWUXYJBJOIBC-IRXDYDNUSA-N 0 3 318.461 2.042 20 30 DEEDHN C#Cc1cncc(C(=O)NC2(C3CCN(CC#CC)CC3)CC2)c1 ZINC001000256171 634826704 /nfs/dbraw/zinc/82/67/04/634826704.db2.gz KSHIEWGOESMINL-UHFFFAOYSA-N 0 3 321.424 2.061 20 30 DEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C(C)C)n[nH]3)CC2)CC1 ZINC001000259760 634828813 /nfs/dbraw/zinc/82/88/13/634828813.db2.gz PMXVDVNKAPFSSJ-UHFFFAOYSA-N 0 3 314.433 2.141 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCCCOc1cccc(C)c1 ZINC000836210824 650065092 /nfs/dbraw/zinc/06/50/92/650065092.db2.gz SXZYKHYZQGGVKO-UHFFFAOYSA-N 0 3 317.433 2.018 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC001026800212 633129352 /nfs/dbraw/zinc/12/93/52/633129352.db2.gz VNYIZXXTGZAUNU-MRXNPFEDSA-N 0 3 323.396 2.332 20 30 DEEDHN Cc1nc(CNC[C@H]2CCN(C(=O)C#CC3CC3)C2)sc1C ZINC001026834453 633171497 /nfs/dbraw/zinc/17/14/97/633171497.db2.gz YXKZWWFZNGNJQX-OAHLLOKOSA-N 0 3 317.458 2.111 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000996138997 633195009 /nfs/dbraw/zinc/19/50/09/633195009.db2.gz WSUBIIVWRRCTAK-HNNXBMFYSA-N 0 3 318.465 2.349 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C3CC3)nn2C)C(C)(C)C1 ZINC000974637562 633198717 /nfs/dbraw/zinc/19/87/17/633198717.db2.gz YNCLLJUICDWKHP-INIZCTEOSA-N 0 3 316.449 2.314 20 30 DEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001026861578 633224038 /nfs/dbraw/zinc/22/40/38/633224038.db2.gz PWCMAONCPUXUCO-CQSZACIVSA-N 0 3 308.385 2.138 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C(C)(C)C1 ZINC000974688294 633236045 /nfs/dbraw/zinc/23/60/45/633236045.db2.gz UULXMSUAJFVSSX-OAHLLOKOSA-N 0 3 310.401 2.026 20 30 DEEDHN C=CCOc1cccnc1C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996504143 633269756 /nfs/dbraw/zinc/26/97/56/633269756.db2.gz XZKJRYQDFIWQSI-CQSZACIVSA-N 0 3 321.396 2.056 20 30 DEEDHN CC#CCN1C[C@@H](NC(=O)c2ccc3cncn3c2C)C(C)(C)C1 ZINC000974746731 633278867 /nfs/dbraw/zinc/27/88/67/633278867.db2.gz PTZBOKKCARBBHH-QGZVFWFLSA-N 0 3 324.428 2.106 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc(F)cn2)C(C)(C)C1 ZINC000974740771 633281655 /nfs/dbraw/zinc/28/16/55/633281655.db2.gz HNKSEAPUGFEIKN-OAHLLOKOSA-N 0 3 305.397 2.166 20 30 DEEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000124206378 633293548 /nfs/dbraw/zinc/29/35/48/633293548.db2.gz KQEISPUKOOFMEX-GDBMZVCRSA-N 0 3 316.401 2.432 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2ncc3ccccn32)C(C)(C)C1 ZINC000974829205 633316320 /nfs/dbraw/zinc/31/63/20/633316320.db2.gz PAAZGNWNQBWDHD-HNNXBMFYSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2ccc3ccncc3n2)C(C)(C)C1 ZINC000974847444 633331158 /nfs/dbraw/zinc/33/11/58/633331158.db2.gz XTBSHZGYYHBOTI-KRWDZBQOSA-N 0 3 322.412 2.093 20 30 DEEDHN C#C[C@@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000893398815 633351956 /nfs/dbraw/zinc/35/19/56/633351956.db2.gz QUPRDTPJIMHKCN-QGZVFWFLSA-N 0 3 321.465 2.073 20 30 DEEDHN C#CCCN1C[C@H](NC(=O)c2cc(F)ccc2OC)C(C)(C)C1 ZINC000974900478 633359810 /nfs/dbraw/zinc/35/98/10/633359810.db2.gz YYLCCKOLZYGTBX-INIZCTEOSA-N 0 3 318.392 2.298 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C(C)(C)C1 ZINC000975033049 633401145 /nfs/dbraw/zinc/40/11/45/633401145.db2.gz WZRIJFKQZVECST-ZFWWWQNUSA-N 0 3 316.449 2.232 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnn(C)c2C(F)F)C1 ZINC001009150184 633513099 /nfs/dbraw/zinc/51/30/99/633513099.db2.gz BRWMPULEYUXYBD-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(OC)c(C#N)c2)C1 ZINC001027257168 633523886 /nfs/dbraw/zinc/52/38/86/633523886.db2.gz QGGLNMJHVBKFTF-MRXNPFEDSA-N 0 3 315.417 2.400 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cc[nH]c2CC)CC1 ZINC000997060814 633565800 /nfs/dbraw/zinc/56/58/00/633565800.db2.gz XVZLVTFLUZPGTG-CQSZACIVSA-N 0 3 301.434 2.431 20 30 DEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405649 633748435 /nfs/dbraw/zinc/74/84/35/633748435.db2.gz KPYTUWGVOCZHNH-IBGZPJMESA-N 0 3 321.424 2.394 20 30 DEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cnn(C(C)C)c2C)CC1 ZINC000997387457 633751536 /nfs/dbraw/zinc/75/15/36/633751536.db2.gz NGCOYTQOXQBNTA-CQSZACIVSA-N 0 3 316.449 2.236 20 30 DEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ncoc2C2CC2)CC1 ZINC000997384234 633752036 /nfs/dbraw/zinc/75/20/36/633752036.db2.gz RTDNXVNWPBOGCD-CYBMUJFWSA-N 0 3 315.417 2.406 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3scnc32)C1 ZINC001027413098 633753078 /nfs/dbraw/zinc/75/30/78/633753078.db2.gz JBNNTAFHVWZHFO-CYBMUJFWSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(F)cccc2OC)C1 ZINC001027422324 633761659 /nfs/dbraw/zinc/76/16/59/633761659.db2.gz DUQRXSTYYLMVGE-ZDUSSCGKSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2C)C1 ZINC001027425495 633768555 /nfs/dbraw/zinc/76/85/55/633768555.db2.gz JICSTLCBLGIOKZ-KRWDZBQOSA-N 0 3 314.429 2.102 20 30 DEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(C#N)cn1 ZINC000889234486 633792253 /nfs/dbraw/zinc/79/22/53/633792253.db2.gz MJSNQCSSNMOXEP-ZDUSSCGKSA-N 0 3 301.394 2.195 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2nccc3ccsc32)C1 ZINC001027449367 633802264 /nfs/dbraw/zinc/80/22/64/633802264.db2.gz ZBMWJEAJXNMAHM-AWEZNQCLSA-N 0 3 313.426 2.466 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001027472874 633855186 /nfs/dbraw/zinc/85/51/86/633855186.db2.gz ZOHWEWWCKUFZDC-HOCLYGCPSA-N 0 3 316.449 2.332 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC001027481979 633866172 /nfs/dbraw/zinc/86/61/72/633866172.db2.gz AHBWJVWZCLBWDI-HNNXBMFYSA-N 0 3 309.413 2.348 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC001027482683 633867131 /nfs/dbraw/zinc/86/71/31/633867131.db2.gz GHDHQSZMLUOGSI-GOSISDBHSA-N 0 3 322.412 2.042 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000997587930 633887599 /nfs/dbraw/zinc/88/75/99/633887599.db2.gz WLPWQYSBXGAHDC-HNNXBMFYSA-N 0 3 324.428 2.106 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(Cl)cnn2CC)CC1 ZINC000997606207 633897532 /nfs/dbraw/zinc/89/75/32/633897532.db2.gz XCQOYECIYSKFMV-LBPRGKRZSA-N 0 3 322.840 2.020 20 30 DEEDHN C[C@H](C#N)C(=O)N1CCC(CNCc2ccccc2C#N)CC1 ZINC000997618063 633901670 /nfs/dbraw/zinc/90/16/70/633901670.db2.gz NDJJAIAUEYJJMR-CQSZACIVSA-N 0 3 310.401 2.046 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001027512199 633944639 /nfs/dbraw/zinc/94/46/39/633944639.db2.gz ZCDRQHMNAGCXAG-MRXNPFEDSA-N 0 3 322.412 2.246 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc3cccnc32)C1 ZINC001027514430 633961773 /nfs/dbraw/zinc/96/17/73/633961773.db2.gz JFAWGUJGRKFTLF-GOSISDBHSA-N 0 3 321.424 2.333 20 30 DEEDHN C#CCN1CCC([C@H](C)NC(=O)c2noc3c2CCCC3)CC1 ZINC000997773675 633968805 /nfs/dbraw/zinc/96/88/05/633968805.db2.gz WJNFSTNYAARZCG-ZDUSSCGKSA-N 0 3 315.417 2.017 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ncccc3s2)C1 ZINC001027520781 633976324 /nfs/dbraw/zinc/97/63/24/633976324.db2.gz SEKHETCKUKWFQV-CYBMUJFWSA-N 0 3 313.426 2.466 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C(C)(C)C1 ZINC000977455941 633994829 /nfs/dbraw/zinc/99/48/29/633994829.db2.gz UVHIOZNVEMBKAU-AWEZNQCLSA-N 0 3 304.438 2.090 20 30 DEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000977502160 634016198 /nfs/dbraw/zinc/01/61/98/634016198.db2.gz TYPCMFYLLZQDCV-INIZCTEOSA-N 0 3 316.449 2.164 20 30 DEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cn3ccccc3n2)C(C)(C)C1 ZINC000977560099 634038882 /nfs/dbraw/zinc/03/88/82/634038882.db2.gz VTJAJGZKBUYPII-OAHLLOKOSA-N 0 3 312.417 2.351 20 30 DEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(F)cc2F)C(C)(C)C1 ZINC000977571294 634041955 /nfs/dbraw/zinc/04/19/55/634041955.db2.gz IWRLAKQOTREHJN-OAHLLOKOSA-N 0 3 306.356 2.428 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2oc(C)nc2C)CC1 ZINC000997962115 634080242 /nfs/dbraw/zinc/08/02/42/634080242.db2.gz SVNFJGFAFPGLMM-HNNXBMFYSA-N 0 3 303.406 2.241 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000997970445 634085595 /nfs/dbraw/zinc/08/55/95/634085595.db2.gz MMAREVPMWNSCIU-INIZCTEOSA-N 0 3 312.417 2.226 20 30 DEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001027550534 634090060 /nfs/dbraw/zinc/09/00/60/634090060.db2.gz YLLGNLSBPDMNJL-QGZVFWFLSA-N 0 3 323.440 2.277 20 30 DEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2coc(C)n2)CC1 ZINC000997990031 634099180 /nfs/dbraw/zinc/09/91/80/634099180.db2.gz HPSNQQYLZVVMEA-HNNXBMFYSA-N 0 3 303.406 2.323 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCCOCC2)CC1 ZINC000997990776 634099437 /nfs/dbraw/zinc/09/94/37/634099437.db2.gz KIOLGKXJNFDVLB-SJORKVTESA-N 0 3 306.450 2.139 20 30 DEEDHN N#Cc1cccc(CN2C[C@@H]3[C@@H](CNC(=O)C4CCC4)[C@@H]3C2)c1 ZINC000977717426 634107952 /nfs/dbraw/zinc/10/79/52/634107952.db2.gz NBLHIEWLIVNBKX-NNZMDNLPSA-N 0 3 309.413 2.152 20 30 DEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2onc(C)c2C)CC1 ZINC000998035886 634118431 /nfs/dbraw/zinc/11/84/31/634118431.db2.gz HAPHTFRGPAXBNJ-HNNXBMFYSA-N 0 3 303.406 2.241 20 30 DEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccn3cncc3c2)CC1 ZINC000998049775 634124454 /nfs/dbraw/zinc/12/44/54/634124454.db2.gz JBSMOOWRMDPYSA-QGZVFWFLSA-N 0 3 324.428 2.284 20 30 DEEDHN N#Cc1ccc(CN2C[C@@H]3[C@@H](CNC(=O)c4ccoc4)[C@@H]3C2)cc1 ZINC000977802460 634152423 /nfs/dbraw/zinc/15/24/23/634152423.db2.gz BLIBZGKCZALDIU-NNZMDNLPSA-N 0 3 321.380 2.259 20 30 DEEDHN CNC(=O)CC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000093587995 634171918 /nfs/dbraw/zinc/17/19/18/634171918.db2.gz HVSVVUOROYNJEW-AWEZNQCLSA-N 0 3 315.417 2.326 20 30 DEEDHN C=C(C)CN[C@@H]1CN(C(=O)c2ccon2)CC[C@@H]1C(F)(F)F ZINC000998242277 634184331 /nfs/dbraw/zinc/18/43/31/634184331.db2.gz FEIGTMSVKSQEHJ-CMPLNLGQSA-N 0 3 317.311 2.233 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3ccon3)CC[C@@H]2C1 ZINC000946496892 634191334 /nfs/dbraw/zinc/19/13/34/634191334.db2.gz BXTZSQKBUZBJQG-BETUJISGSA-N 0 3 309.797 2.211 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)[C@@H]2C1 ZINC000978195801 634238393 /nfs/dbraw/zinc/23/83/93/634238393.db2.gz MCTIOZOFWOKMNM-BQJWPVKWSA-N 0 3 302.462 2.376 20 30 DEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3c(C)[nH]c4ccccc43)[C@@H]2C1 ZINC000978465210 634321931 /nfs/dbraw/zinc/32/19/31/634321931.db2.gz MFTKLMFHOFWVEB-OSYLJGHBSA-N 0 3 321.424 2.407 20 30 DEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001027643813 634375031 /nfs/dbraw/zinc/37/50/31/634375031.db2.gz ROBATUHPDMCWRL-KRWDZBQOSA-N 0 3 322.412 2.042 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3cncn3C)C[C@H]2C1 ZINC000980140422 634858995 /nfs/dbraw/zinc/85/89/95/634858995.db2.gz BNCXPFAWEZJTEO-IHRRRGAJSA-N 0 3 322.840 2.003 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001027885067 634870462 /nfs/dbraw/zinc/87/04/62/634870462.db2.gz XFMINMPSWIUXKX-INIZCTEOSA-N 0 3 316.449 2.454 20 30 DEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)c3ccncn3)C[C@H]2C1 ZINC000980193668 634881356 /nfs/dbraw/zinc/88/13/56/634881356.db2.gz MZXPRURECBBFJT-IHRRRGAJSA-N 0 3 320.824 2.059 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C1 ZINC000980353762 634963090 /nfs/dbraw/zinc/96/30/90/634963090.db2.gz UPQSUDOSAMRTHA-HIFRSBDPSA-N 0 3 306.381 2.312 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001027924989 634979415 /nfs/dbraw/zinc/97/94/15/634979415.db2.gz OYDJRPDZGOVHFC-MSOLQXFVSA-N 0 3 313.445 2.422 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000980415934 634996115 /nfs/dbraw/zinc/99/61/15/634996115.db2.gz NGMHOQJOKCWQSU-AWEZNQCLSA-N 0 3 304.438 2.279 20 30 DEEDHN C#Cc1cccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000837106811 650165248 /nfs/dbraw/zinc/16/52/48/650165248.db2.gz GFDHXDHQXLVLNR-SFHVURJKSA-N 0 3 302.393 2.497 20 30 DEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC000980567459 635046445 /nfs/dbraw/zinc/04/64/45/635046445.db2.gz RTSPPIAEWYQJBB-MRXNPFEDSA-N 0 3 315.417 2.286 20 30 DEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC000980567821 635051039 /nfs/dbraw/zinc/05/10/39/635051039.db2.gz XGYAYGKAVYKQQA-AWEZNQCLSA-N 0 3 319.380 2.116 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001027968235 635112981 /nfs/dbraw/zinc/11/29/81/635112981.db2.gz MVNVBRFXZCPVMH-LLVKDONJSA-N 0 3 310.348 2.185 20 30 DEEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(OCC(N)=O)c1 ZINC000921793054 635228830 /nfs/dbraw/zinc/22/88/30/635228830.db2.gz SMASVKLILRTLNK-UHFFFAOYSA-N 0 3 323.396 2.329 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001028009764 635241406 /nfs/dbraw/zinc/24/14/06/635241406.db2.gz OSUZFUKRSOKUFL-MRXNPFEDSA-N 0 3 322.412 2.294 20 30 DEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001028021657 635267732 /nfs/dbraw/zinc/26/77/32/635267732.db2.gz XRNSIAZKXLMYOG-NSHDSACASA-N 0 3 312.364 2.128 20 30 DEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001028031020 635313310 /nfs/dbraw/zinc/31/33/10/635313310.db2.gz BGAWHSTXWLBJQF-CQSZACIVSA-N 0 3 301.390 2.078 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cn3c(n2)C[C@@H](C)CC3)CC1 ZINC001000840676 635319762 /nfs/dbraw/zinc/31/97/62/635319762.db2.gz FYROIKUBQHKQTN-AWEZNQCLSA-N 0 3 314.433 2.013 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)C[C@H]1C ZINC000947726838 635322747 /nfs/dbraw/zinc/32/27/47/635322747.db2.gz SYIDYEVRUCPPBC-WBVHZDCISA-N 0 3 324.428 2.249 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2ccnn2-c2ccccc2)CC1 ZINC001000847272 635325732 /nfs/dbraw/zinc/32/57/32/635325732.db2.gz RFNNCTSKCICSLU-UHFFFAOYSA-N 0 3 322.412 2.420 20 30 DEEDHN O=C(C#CC1CC1)N1CCCN(CCc2cccs2)CC1 ZINC000981126684 635327302 /nfs/dbraw/zinc/32/73/02/635327302.db2.gz ZOIANNMQWBIFFX-UHFFFAOYSA-N 0 3 302.443 2.238 20 30 DEEDHN C=CCN1CC=C(CNC(=O)c2cccc3oc(=O)[nH]c32)CC1 ZINC001000951046 635367330 /nfs/dbraw/zinc/36/73/30/635367330.db2.gz QKWOSTJZKPGGRQ-UHFFFAOYSA-N 0 3 313.357 2.081 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001028057103 635393197 /nfs/dbraw/zinc/39/31/97/635393197.db2.gz CHCBQDANIFHAGZ-HNNXBMFYSA-N 0 3 310.401 2.457 20 30 DEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@@H](NC(=O)c2cnco2)C1 ZINC000981255621 635407914 /nfs/dbraw/zinc/40/79/14/635407914.db2.gz YUNWCVGZXBSXKO-JKSUJKDBSA-N 0 3 324.384 2.377 20 30 DEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H](NCc3cnns3)C2)C1 ZINC000981321913 635434165 /nfs/dbraw/zinc/43/41/65/635434165.db2.gz CPVJSPHUHDCOKQ-QWHCGFSZSA-N 0 3 320.462 2.411 20 30 DEEDHN C=CCCN1CCCN(C(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000981357150 635447645 /nfs/dbraw/zinc/44/76/45/635447645.db2.gz CAWPRPKCYXBYFD-UHFFFAOYSA-N 0 3 310.829 2.350 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cccc3cccnc32)CC1 ZINC001001596374 635530572 /nfs/dbraw/zinc/53/05/72/635530572.db2.gz AEMQTARIGFHUNO-UHFFFAOYSA-N 0 3 307.397 2.310 20 30 DEEDHN C#CCCN1CCCN(C(=O)c2cccc3cccnc32)CC1 ZINC000981563757 635532310 /nfs/dbraw/zinc/53/23/10/635532310.db2.gz QGEBUTPTAHGLRW-UHFFFAOYSA-N 0 3 307.397 2.406 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(Cl)cc2OC)CC1 ZINC001001776232 635548073 /nfs/dbraw/zinc/54/80/73/635548073.db2.gz GJLDQLURYONDON-UHFFFAOYSA-N 0 3 320.820 2.424 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001001775019 635548562 /nfs/dbraw/zinc/54/85/62/635548562.db2.gz YTEIGTIYHSXNDN-UHFFFAOYSA-N 0 3 310.401 2.028 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC000981601355 635548819 /nfs/dbraw/zinc/54/88/19/635548819.db2.gz CRBHVFAAWULUHH-WMZOPIPTSA-N 0 3 306.450 2.446 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC000981601350 635548900 /nfs/dbraw/zinc/54/89/00/635548900.db2.gz CRBHVFAAWULUHH-AEFFLSMTSA-N 0 3 306.450 2.446 20 30 DEEDHN C#CCCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001016273030 635552128 /nfs/dbraw/zinc/55/21/28/635552128.db2.gz RMPWIAWSANHFTB-AWEZNQCLSA-N 0 3 316.449 2.028 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC001001898113 635571645 /nfs/dbraw/zinc/57/16/45/635571645.db2.gz JDPCAJHCIOJTPS-UHFFFAOYSA-N 0 3 322.412 2.152 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ncccc1OCCC ZINC001028114101 635592987 /nfs/dbraw/zinc/59/29/87/635592987.db2.gz AJUPCTNQISHYQS-HNNXBMFYSA-N 0 3 315.417 2.088 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2nc(C3CC3)oc2C)CC1 ZINC001001989672 635596060 /nfs/dbraw/zinc/59/60/60/635596060.db2.gz RDYYZXCJQVQIJA-UHFFFAOYSA-N 0 3 315.417 2.326 20 30 DEEDHN C#CCN1CCC(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC001002006502 635600696 /nfs/dbraw/zinc/60/06/96/635600696.db2.gz UVSIZNMVKAKUTR-TZIWHRDSSA-N 0 3 322.452 2.352 20 30 DEEDHN C#CCN1CCC(CNC(=O)c2ccc(-c3c[nH]cn3)cc2)CC1 ZINC001002006178 635600847 /nfs/dbraw/zinc/60/08/47/635600847.db2.gz LVCBREMUZFYZLR-UHFFFAOYSA-N 0 3 322.412 2.152 20 30 DEEDHN CC#CCN1CCC(CNC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC001002025880 635607189 /nfs/dbraw/zinc/60/71/89/635607189.db2.gz ZZESHEWQHBEHNP-UHFFFAOYSA-N 0 3 313.445 2.359 20 30 DEEDHN C=C(C)CN1CCCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC000981716964 635610110 /nfs/dbraw/zinc/61/01/10/635610110.db2.gz VHKPOQVZIBIPNE-UHFFFAOYSA-N 0 3 304.438 2.000 20 30 DEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001028152127 635727102 /nfs/dbraw/zinc/72/71/02/635727102.db2.gz NLOBHZNRJNAUJB-CQSZACIVSA-N 0 3 316.449 2.069 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)c3ccnc4ccncc43)C2)C1 ZINC000981918122 635728476 /nfs/dbraw/zinc/72/84/76/635728476.db2.gz OMGFDFASOKIJHM-UHFFFAOYSA-N 0 3 322.412 2.354 20 30 DEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001028182934 635785561 /nfs/dbraw/zinc/78/55/61/635785561.db2.gz IJAMEVUUIYUYBG-HNNXBMFYSA-N 0 3 303.406 2.120 20 30 DEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H]3C[C@H]3C1)CCO2 ZINC000949126131 635797608 /nfs/dbraw/zinc/79/76/08/635797608.db2.gz KNLOFMVXLJOMQT-BBWFWOEESA-N 0 3 318.461 2.302 20 30 DEEDHN C=CCN1CCC(NC(=O)c2cnc([C@@H](C)OC)s2)CC1 ZINC001002822969 635809995 /nfs/dbraw/zinc/80/99/95/635809995.db2.gz JHVGMRRXQUZMRC-LLVKDONJSA-N 0 3 309.435 2.231 20 30 DEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001028206940 635824563 /nfs/dbraw/zinc/82/45/63/635824563.db2.gz XRPRJLGAPVFWRI-ZDUSSCGKSA-N 0 3 305.447 2.484 20 30 DEEDHN C=CCCN1CCCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000982058835 635848655 /nfs/dbraw/zinc/84/86/55/635848655.db2.gz JSZKIMLJOITHTG-QGZVFWFLSA-N 0 3 318.392 2.240 20 30 DEEDHN C=CCN1CCCC2(CN(C(=O)C3(CC)CCOCC3)C2)C1 ZINC000982089200 635855718 /nfs/dbraw/zinc/85/57/18/635855718.db2.gz 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/nfs/dbraw/zinc/91/80/52/635918052.db2.gz IQIFPFBHGLDWFU-FPMFFAJLSA-N 0 3 317.355 2.269 20 30 DEEDHN CC#CCN1C[C@]2(C)CN(C(=O)Cc3ccoc3)C[C@]2(C)C1 ZINC000982265404 635930746 /nfs/dbraw/zinc/93/07/46/635930746.db2.gz NPENQINFNHNBMA-HDICACEKSA-N 0 3 300.402 2.016 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)cn2)C[C@H]1C ZINC000947953440 635935567 /nfs/dbraw/zinc/93/55/67/635935567.db2.gz OCWHJRKTQUXQJK-OCCSQVGLSA-N 0 3 305.809 2.341 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)C[C@@H]1C ZINC000947360500 635944381 /nfs/dbraw/zinc/94/43/81/635944381.db2.gz FZUUSOWNJFPAQD-KBPBESRZSA-N 0 3 304.438 2.407 20 30 DEEDHN C=CCCN1CCC[C@H]1CNC(=O)c1scc2c1OCCO2 ZINC001028242545 635952081 /nfs/dbraw/zinc/95/20/81/635952081.db2.gz HJYQFZFVEPFRPR-LBPRGKRZSA-N 0 3 322.430 2.290 20 30 DEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001028313207 636125716 /nfs/dbraw/zinc/12/57/16/636125716.db2.gz WHDCNTFSMUBOQC-MRXNPFEDSA-N 0 3 301.390 2.025 20 30 DEEDHN C=C(C)CCN1CCC[C@H]1CNC(=O)c1cnc(COC)s1 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C=CCOc1ccccc1CNCC(C)(C)CS(C)(=O)=O ZINC000922738450 636358456 /nfs/dbraw/zinc/35/84/56/636358456.db2.gz UAEGLBMQHNLFJB-UHFFFAOYSA-N 0 3 311.447 2.412 20 30 DEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3cnn(CC)c3C)C[C@]2(C)C1 ZINC000982667870 636359502 /nfs/dbraw/zinc/35/95/02/636359502.db2.gz MFTASONFHWEZSY-HDICACEKSA-N 0 3 316.449 2.181 20 30 DEEDHN CCC(=O)N1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000178845587 636379990 /nfs/dbraw/zinc/37/99/90/636379990.db2.gz HKAJFGJKLVFIOK-VXGBXAGGSA-N 0 3 311.341 2.263 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)Cc2csc(C3CC3)n2)C[C@H]1C ZINC000947783146 636464202 /nfs/dbraw/zinc/46/42/02/636464202.db2.gz MNNBVBAOAJZMHD-OCCSQVGLSA-N 0 3 317.458 2.165 20 30 DEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001028595953 636482396 /nfs/dbraw/zinc/48/23/96/636482396.db2.gz DSUIMKPPHQOBHV-AWEZNQCLSA-N 0 3 314.433 2.142 20 30 DEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnoc2-c2ccco2)C1 ZINC001028636960 636531063 /nfs/dbraw/zinc/53/10/63/636531063.db2.gz JSHNWWDIJBUCNS-ZDUSSCGKSA-N 0 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/nfs/dbraw/zinc/83/30/63/636833063.db2.gz LAMYYBINAUKMGU-INIZCTEOSA-N 0 3 324.384 2.107 20 30 DEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)CC1 ZINC001005873678 636923647 /nfs/dbraw/zinc/92/36/47/636923647.db2.gz BDALCGOJCICSLD-XJKSGUPXSA-N 0 3 316.449 2.184 20 30 DEEDHN C#CCCN1CCCN(C(=O)CCc2ccc(F)cc2F)CC1 ZINC000983483022 636964497 /nfs/dbraw/zinc/96/44/97/636964497.db2.gz SROQKQQNNGBIKD-UHFFFAOYSA-N 0 3 320.383 2.455 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C[C@H]1C ZINC000947970833 636974487 /nfs/dbraw/zinc/97/44/87/636974487.db2.gz CJHWAAPXEMZSSW-UKRRQHHQSA-N 0 3 318.417 2.473 20 30 DEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2cc(F)ccc2F)CC1 ZINC000948726511 637001875 /nfs/dbraw/zinc/00/18/75/637001875.db2.gz SXMZIEOPWPMQND-INIZCTEOSA-N 0 3 320.383 2.453 20 30 DEEDHN O=C(N1CCCC1)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC000894407849 637012727 /nfs/dbraw/zinc/01/27/27/637012727.db2.gz XPGDYFGAIRBWHS-GOSISDBHSA-N 0 3 311.429 2.308 20 30 DEEDHN 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C[C@@H]1[C@@H](NCc2cccc(Cl)n2)CCN1C(=O)C#CC1CC1 ZINC000986275131 639867547 /nfs/dbraw/zinc/86/75/47/639867547.db2.gz GPJMMBUBIAVXHE-DOMZBBRYSA-N 0 3 317.820 2.227 20 30 DEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)nc1 ZINC000758191719 639926161 /nfs/dbraw/zinc/92/61/61/639926161.db2.gz MDMIBBOBQNFKJY-QAPCUYQASA-N 0 3 319.408 2.456 20 30 DEEDHN C=C(C)CN1CCC(NC(=S)NC[C@H]2CCCCO2)CC1 ZINC000758228926 639932786 /nfs/dbraw/zinc/93/27/86/639932786.db2.gz HYPCBLCMZQTEQM-OAHLLOKOSA-N 0 3 311.495 2.060 20 30 DEEDHN C#CCNC(=S)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000758242825 639935147 /nfs/dbraw/zinc/93/51/47/639935147.db2.gz YWTXFRYGLQIFFO-MRXNPFEDSA-N 0 3 301.459 2.091 20 30 DEEDHN C#Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)nc1 ZINC000760820728 640232283 /nfs/dbraw/zinc/23/22/83/640232283.db2.gz BJVOKLJVRDIQHX-HNNXBMFYSA-N 0 3 321.380 2.032 20 30 DEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1C(=O)C1CC1 ZINC000987678400 640255131 /nfs/dbraw/zinc/25/51/31/640255131.db2.gz 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640690127 /nfs/dbraw/zinc/69/01/27/640690127.db2.gz NUZULALCCUFDPC-VKJFTORMSA-N 0 3 312.369 2.323 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c3cccnc23)C1 ZINC000989220935 640757874 /nfs/dbraw/zinc/75/78/74/640757874.db2.gz UMKMMUKRLNKETM-LSDHHAIUSA-N 0 3 307.397 2.369 20 30 DEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC000989379944 640832513 /nfs/dbraw/zinc/83/25/13/640832513.db2.gz KQXJZPMFRTZTDS-DZGCQCFKSA-N 0 3 309.413 2.231 20 30 DEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3cccc(OC)c3o2)C1 ZINC000989384243 640834536 /nfs/dbraw/zinc/83/45/36/640834536.db2.gz MQRHJBWKESGSTA-OCCSQVGLSA-N 0 3 312.369 2.267 20 30 DEEDHN COc1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1O ZINC000897602617 640845885 /nfs/dbraw/zinc/84/58/85/640845885.db2.gz SJMNSFNLBZDGLX-UHFFFAOYSA-N 0 3 303.358 2.239 20 30 DEEDHN C=CCN1CCC(NC(=S)Nc2ccc(OC)nc2)CC1 ZINC000729941766 640861619 /nfs/dbraw/zinc/86/16/19/640861619.db2.gz BRVNCVGMYXMBQT-UHFFFAOYSA-N 0 3 306.435 2.027 20 30 DEEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2nc(C#N)cs2)C[C@@H]1C ZINC000897628434 640878771 /nfs/dbraw/zinc/87/87/71/640878771.db2.gz IVCKPGMXEZQUNX-GMXVVIOVSA-N 0 3 307.419 2.472 20 30 DEEDHN C#CCCN1CCCN(C(=O)C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000989433467 640886144 /nfs/dbraw/zinc/88/61/44/640886144.db2.gz GMZHMFQRYNTTOT-ROUUACIJSA-N 0 3 320.477 2.385 20 30 DEEDHN COC(=O)c1cc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000897987210 640995824 /nfs/dbraw/zinc/99/58/24/640995824.db2.gz OPVAXLHKSDXYTN-AGIUHOORSA-N 0 3 302.378 2.177 20 30 DEEDHN COC(=O)C[C@@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000898297458 641091548 /nfs/dbraw/zinc/09/15/48/641091548.db2.gz NXOIZBBXBWHYLH-QGZVFWFLSA-N 0 3 309.369 2.217 20 30 DEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000989481048 641120233 /nfs/dbraw/zinc/12/02/33/641120233.db2.gz NJNBLHMNYAGGQG-AAEUAGOBSA-N 0 3 308.784 2.234 20 30 DEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2cc(C)c3ccccc32)C1 ZINC000989540453 641141605 /nfs/dbraw/zinc/14/16/05/641141605.db2.gz 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/nfs/dbraw/zinc/29/88/37/641298837.db2.gz BRUWZPNVSUMUQT-UHFFFAOYSA-N 0 3 324.384 2.249 20 30 DEEDHN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC)c1 ZINC000842289103 650694742 /nfs/dbraw/zinc/69/47/42/650694742.db2.gz OMCDSOYZSRALDW-GJZGRUSLSA-N 0 3 318.373 2.404 20 30 DEEDHN CN1CCC2(CCN(Cc3ccc(OCC#N)cc3)CC2)C1=O ZINC000773924480 641842047 /nfs/dbraw/zinc/84/20/47/641842047.db2.gz LHUKRQMKFIRAGW-UHFFFAOYSA-N 0 3 313.401 2.033 20 30 DEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000842291951 650696768 /nfs/dbraw/zinc/69/67/68/650696768.db2.gz OBVIQSDVQIXEKP-STQMWFEESA-N 0 3 304.394 2.242 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000842292636 650696860 /nfs/dbraw/zinc/69/68/60/650696860.db2.gz VANRMOMAQIFFBO-HUUCEWRRSA-N 0 3 312.369 2.320 20 30 DEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCc2ccccc2O1 ZINC000842292664 650696948 /nfs/dbraw/zinc/69/69/48/650696948.db2.gz VQRUUJKZDXYTNJ-HOCLYGCPSA-N 0 3 312.369 2.148 20 30 DEEDHN CC(C)Oc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)nc1 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/nfs/dbraw/zinc/68/13/12/647681312.db2.gz RNEDZQOQNKJFFU-GOEBONIOSA-N 0 3 312.417 2.032 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H]1C ZINC000993488346 647685346 /nfs/dbraw/zinc/68/53/46/647685346.db2.gz HBXHWTFDDQHGCH-HIFRSBDPSA-N 0 3 310.401 2.169 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(OC)c2)[C@H]1C ZINC000993530805 647691330 /nfs/dbraw/zinc/69/13/30/647691330.db2.gz NMNIUFTTYHMFNY-HIFRSBDPSA-N 0 3 303.406 2.249 20 30 DEEDHN C=CCN1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)[C@@H]1C ZINC000993546012 647692887 /nfs/dbraw/zinc/69/28/87/647692887.db2.gz IYPSBQHZHSIEFI-JSGCOSHPSA-N 0 3 324.856 2.080 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H]1C ZINC000993556872 647698614 /nfs/dbraw/zinc/69/86/14/647698614.db2.gz SEHDJGKYIQAFLS-GXTWGEPZSA-N 0 3 302.422 2.057 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(COC)c2)[C@@H]1C ZINC000993570016 647702459 /nfs/dbraw/zinc/70/24/59/647702459.db2.gz OMKMRFPGUJFFFC-MAUKXSAKSA-N 0 3 314.429 2.439 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(OCC)no2)[C@@H]1C ZINC000993612526 647706843 /nfs/dbraw/zinc/70/68/43/647706843.db2.gz IKTDRAAFONEMMG-STQMWFEESA-N 0 3 307.394 2.232 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3nonc3c2)[C@@H]1C ZINC000993726277 647731746 /nfs/dbraw/zinc/73/17/46/647731746.db2.gz CTHKGVORRQIPAJ-GXTWGEPZSA-N 0 3 314.389 2.382 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccnc(OCC)c2)[C@@H]1C ZINC000993769535 647744492 /nfs/dbraw/zinc/74/44/92/647744492.db2.gz HOZTURXKPFUIKK-GOEBONIOSA-N 0 3 315.417 2.086 20 30 DEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)nn2CC)[C@H]1C ZINC000993853659 647755934 /nfs/dbraw/zinc/75/59/34/647755934.db2.gz AFICYWWFHZQUHG-CABCVRRESA-N 0 3 304.438 2.370 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)nc2OC)[C@H]1C ZINC000993946125 647771345 /nfs/dbraw/zinc/77/13/45/647771345.db2.gz FJKRYAHZRODTCC-GDBMZVCRSA-N 0 3 315.417 2.005 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H]1C ZINC000994091860 647787276 /nfs/dbraw/zinc/78/72/76/647787276.db2.gz LGBJDCDYRJIJLX-DOTOQJQBSA-N 0 3 316.449 2.208 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3nccnc32)[C@@H]1C ZINC000994092703 647787964 /nfs/dbraw/zinc/78/79/64/647787964.db2.gz MTXNQKVCLHFGFE-HOCLYGCPSA-N 0 3 322.412 2.236 20 30 DEEDHN C#CCCN1CCC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1C ZINC000994128483 647790929 /nfs/dbraw/zinc/79/09/29/647790929.db2.gz UPXKHMBZGSLZGU-DOMZBBRYSA-N 0 3 315.417 2.466 20 30 DEEDHN C#CCCN1CCC[C@@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1C ZINC000994128486 647791032 /nfs/dbraw/zinc/79/10/32/647791032.db2.gz UPXKHMBZGSLZGU-IUODEOHRSA-N 0 3 315.417 2.466 20 30 DEEDHN C#C[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(F)cc1 ZINC000820484496 647854723 /nfs/dbraw/zinc/85/47/23/647854723.db2.gz YFKONHQGMVENMI-MRXNPFEDSA-N 0 3 305.397 2.482 20 30 DEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H]1C ZINC000994268349 647888877 /nfs/dbraw/zinc/88/88/77/647888877.db2.gz MCNCSYCVAUDQEP-GOEBONIOSA-N 0 3 316.449 2.306 20 30 DEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(OC)cc2)[C@@H]1C ZINC000994300200 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C#CCCN1CCC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H]1C ZINC000994510390 647976696 /nfs/dbraw/zinc/97/66/96/647976696.db2.gz QWOFBCDFCFSGOG-FKZADTEYSA-N 0 3 300.446 2.271 20 30 DEEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc(COC)s2)[C@H]1C ZINC000994515193 647982201 /nfs/dbraw/zinc/98/22/01/647982201.db2.gz CBMBJBMHKBATOX-OLZOCXBDSA-N 0 3 323.462 2.448 20 30 DEEDHN COCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917410429 647999536 /nfs/dbraw/zinc/99/95/36/647999536.db2.gz TWIAWKAKNSWHRR-LLVKDONJSA-N 0 3 303.387 2.051 20 30 DEEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1C ZINC000917520470 648009159 /nfs/dbraw/zinc/00/91/59/648009159.db2.gz IKXZRYUAMQXCJC-GFCCVEGCSA-N 0 3 316.748 2.343 20 30 DEEDHN CCC(F)(F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000822475612 648215154 /nfs/dbraw/zinc/21/51/54/648215154.db2.gz KPIOBGLQIJTGRK-UHFFFAOYSA-N 0 3 309.360 2.494 20 30 DEEDHN N=C(N)NN=C1CCOc2c(Br)cc(Cl)cc21 ZINC000920374952 648222438 /nfs/dbraw/zinc/22/24/38/648222438.db2.gz DHUVZYCVVIYWMC-UHFFFAOYSA-N 0 3 317.574 2.072 20 30 DEEDHN C=CCn1c(C)cc(C(=O)CONC(=N)COC(C)C)c1C ZINC000920402728 648223752 /nfs/dbraw/zinc/22/37/52/648223752.db2.gz LPJBYGQBXBCRMN-UHFFFAOYSA-N 0 3 307.394 2.397 20 30 DEEDHN C#CCN(C(=O)N[C@H](C)CCSCC)C1CCN(C)CC1 ZINC000920968270 648265709 /nfs/dbraw/zinc/26/57/09/648265709.db2.gz YCNYNQFNDAZXML-CQSZACIVSA-N 0 3 311.495 2.257 20 30 DEEDHN C#CCN(C(=O)NCC[C@H](OCC)C(C)C)C1CCN(C)CC1 ZINC000921143040 648276175 /nfs/dbraw/zinc/27/61/75/648276175.db2.gz CUXLCEJUSKBWTE-KRWDZBQOSA-N 0 3 323.481 2.177 20 30 DEEDHN C#CCN(C(=O)NC[C@]1(C)CCCS1)C1CCN(C)CC1 ZINC000921440429 648318023 /nfs/dbraw/zinc/31/80/23/648318023.db2.gz ARVRFJMIZSGLCA-INIZCTEOSA-N 0 3 309.479 2.011 20 30 DEEDHN COc1cc(C(=O)NCCN(C)Cc2ccccc2)ccc1C#N ZINC000823287571 648389164 /nfs/dbraw/zinc/38/91/64/648389164.db2.gz MJYVFXJQJYXIAY-UHFFFAOYSA-N 0 3 323.396 2.429 20 30 DEEDHN N#CC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCSCC1 ZINC000824376674 648576902 /nfs/dbraw/zinc/57/69/02/648576902.db2.gz 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/nfs/dbraw/zinc/98/20/91/648982091.db2.gz LWNGYWIVJMGIOA-HNNXBMFYSA-N 0 3 305.397 2.166 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2cccnc2C)C(C)(C)C1 ZINC000941029692 648989817 /nfs/dbraw/zinc/98/98/17/648989817.db2.gz YXEYPBDYTNNWAO-QGZVFWFLSA-N 0 3 313.445 2.173 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nn2CC)C(C)(C)C1 ZINC000941051554 648992103 /nfs/dbraw/zinc/99/21/03/648992103.db2.gz JSISRSAKRAJKMZ-HNNXBMFYSA-N 0 3 304.438 2.228 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)CCOCC2)C(C)(C)C1 ZINC000941105183 649001596 /nfs/dbraw/zinc/00/15/96/649001596.db2.gz MJNRHYACFVJGJK-OAHLLOKOSA-N 0 3 306.450 2.043 20 30 DEEDHN C=C(C)CCN1CC(N2CCN(C(=O)CC3CCCC3)CC2)C1 ZINC000941289923 649033403 /nfs/dbraw/zinc/03/34/03/649033403.db2.gz WTVHSUYXRXPTQH-UHFFFAOYSA-N 0 3 319.493 2.361 20 30 DEEDHN C#C[C@@H](NCc1ccc(C(=O)OC)c(F)c1)C1CCOCC1 ZINC000827554623 649050312 /nfs/dbraw/zinc/05/03/12/649050312.db2.gz HGBLDIXPHNHFKX-MRXNPFEDSA-N 0 3 305.349 2.130 20 30 DEEDHN C=CC(C)(C)C(=O)N1CCN(C2CN(C[C@@H](C)CC)C2)CC1 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DEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@@H](C)C1 ZINC000942112663 649158856 /nfs/dbraw/zinc/15/88/56/649158856.db2.gz GBTRVVSQVKXONM-YJBOKZPZSA-N 0 3 309.413 2.321 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncnc3ccsc32)[C@@H](C)C1 ZINC000942113308 649159505 /nfs/dbraw/zinc/15/95/05/649159505.db2.gz NSPNFJRYOGMABN-NWDGAFQWSA-N 0 3 316.430 2.318 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2ncnc3ccsc32)[C@H](C)C1 ZINC000942113310 649159589 /nfs/dbraw/zinc/15/95/89/649159589.db2.gz NSPNFJRYOGMABN-VXGBXAGGSA-N 0 3 316.430 2.318 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2conc2C(C)C)[C@H](C)C1 ZINC000942122976 649161513 /nfs/dbraw/zinc/16/15/13/649161513.db2.gz QPQIGKMBIRGQIE-HIFRSBDPSA-N 0 3 303.406 2.262 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000942147937 649168393 /nfs/dbraw/zinc/16/83/93/649168393.db2.gz OJJJIFHVHYCPCY-BBRMVZONSA-N 0 3 318.392 2.298 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(-n3cccc3)c2)[C@@H](C)C1 ZINC000942154323 649170857 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C=CCN1CC[C@@H](NC(=O)c2conc2C(F)(F)F)[C@@H](C)C1 ZINC000942497074 649226202 /nfs/dbraw/zinc/22/62/02/649226202.db2.gz PKMBKVNKORBCSV-GXSJLCMTSA-N 0 3 317.311 2.320 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)[C@@H](C)C1 ZINC000942487071 649227936 /nfs/dbraw/zinc/22/79/36/649227936.db2.gz QODZPMUHJHMQIO-HOCLYGCPSA-N 0 3 324.428 2.106 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)noc2C2CC2)[C@H](C)C1 ZINC000942522800 649234261 /nfs/dbraw/zinc/23/42/61/649234261.db2.gz HKHZEQGIJDCHJM-BXUZGUMPSA-N 0 3 303.406 2.487 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)[C@@H](C)C1 ZINC000942527468 649234665 /nfs/dbraw/zinc/23/46/65/649234665.db2.gz MRFHZPRDDXYCGN-SWLSCSKDSA-N 0 3 314.389 2.296 20 30 DEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3onc(C)c3c2)[C@H](C)C1 ZINC000942547050 649242455 /nfs/dbraw/zinc/24/24/55/649242455.db2.gz FMASXPUDMDBART-ABAIWWIYSA-N 0 3 314.389 2.157 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H](C)C1 ZINC000942550286 649243004 /nfs/dbraw/zinc/24/30/04/649243004.db2.gz BHQZPKAWGWXJNE-SWLSCSKDSA-N 0 3 313.376 2.380 20 30 DEEDHN C#CCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@@H](C)C1 ZINC000942571627 649249466 /nfs/dbraw/zinc/24/94/66/649249466.db2.gz GAGFQOJJSMFQBA-YOEHRIQHSA-N 0 3 301.434 2.451 20 30 DEEDHN C=CCN1CC[C@@H](NC(=O)c2c(CC)nn(C)c2Cl)C[C@@H]1C ZINC000947903728 649252995 /nfs/dbraw/zinc/25/29/95/649252995.db2.gz MTFRDZXBPGUKQG-NWDGAFQWSA-N 0 3 324.856 2.405 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc3c2OCC3)[C@@H](C)C1 ZINC000942858239 649294568 /nfs/dbraw/zinc/29/45/68/649294568.db2.gz KFHXJOOTMPTUAV-WMLDXEAASA-N 0 3 312.413 2.085 20 30 DEEDHN CCC(=O)N1C[C@@H](NCc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000995291088 649297401 /nfs/dbraw/zinc/29/74/01/649297401.db2.gz UVFUZLVDUMFLGC-OAHLLOKOSA-N 0 3 303.381 2.434 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnnc3ccccc32)[C@H](C)C1 ZINC000943029858 649321308 /nfs/dbraw/zinc/32/13/08/649321308.db2.gz UQSGJRIMPNOMDZ-PBHICJAKSA-N 0 3 322.412 2.093 20 30 DEEDHN C#CC[C@@H]1CCCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000829774833 649353416 /nfs/dbraw/zinc/35/34/16/649353416.db2.gz UUKMDGJWKUYGJH-AEFFLSMTSA-N 0 3 315.413 2.364 20 30 DEEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000829774151 649353491 /nfs/dbraw/zinc/35/34/91/649353491.db2.gz MNEWCQWGMUNUEW-MRXNPFEDSA-N 0 3 314.429 2.389 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2coc(C3CC3)n2)[C@H](C)C1 ZINC000943465816 649379197 /nfs/dbraw/zinc/37/91/97/649379197.db2.gz NMQHZCHJLCNKDQ-OCCSQVGLSA-N 0 3 301.390 2.016 20 30 DEEDHN CC#CCN1CC[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H](C)C1 ZINC000943751148 649420421 /nfs/dbraw/zinc/42/04/21/649420421.db2.gz XPBICRFURMZZBD-DZGCQCFKSA-N 0 3 318.392 2.298 20 30 DEEDHN C#CCN1CC[C@@H](NC(=O)C2(c3ccccc3F)CC2)[C@@H](C)C1 ZINC000943946226 649459765 /nfs/dbraw/zinc/45/97/65/649459765.db2.gz ASXKXNJERKTEBP-WMLDXEAASA-N 0 3 314.404 2.317 20 30 DEEDHN CC#CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H](C)C1 ZINC000943964131 649466571 /nfs/dbraw/zinc/46/65/71/649466571.db2.gz 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C[C@]1(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@]1(F)Cl ZINC000844630680 651148686 /nfs/dbraw/zinc/14/86/86/651148686.db2.gz JOXNZRNMERENKV-QEJZJMRPSA-N 0 3 309.772 2.379 20 30 DEEDHN CN1CCCc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc21 ZINC000848409834 651457049 /nfs/dbraw/zinc/45/70/49/651457049.db2.gz GWEPVSWRWQRSFX-HNNXBMFYSA-N 0 3 300.406 2.419 20 30 DEEDHN CN(C)c1ccc(CN(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000848428240 651458420 /nfs/dbraw/zinc/45/84/20/651458420.db2.gz ZTYBJDBBXIGUPC-MRXNPFEDSA-N 0 3 302.422 2.122 20 30 DEEDHN C=C[C@@](C)(O)CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000854515653 651492751 /nfs/dbraw/zinc/49/27/51/651492751.db2.gz YKCYBUJUGCKSLG-SZVBFZGTSA-N 0 3 314.429 2.456 20 30 DEEDHN N#Cc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)o1 ZINC000855529257 651720972 /nfs/dbraw/zinc/72/09/72/651720972.db2.gz MYXKHZFAQZWOGG-UHFFFAOYSA-N 0 3 324.384 2.188 20 30 DEEDHN C#CCCCCC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000856410785 651922309 /nfs/dbraw/zinc/92/23/09/651922309.db2.gz PEYIMNUVPVACRP-INIZCTEOSA-N 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/nfs/dbraw/zinc/24/21/59/652242159.db2.gz USGLLLKRJLLWKN-CABCVRRESA-N 0 3 310.438 2.261 20 30 DEEDHN N#Cc1ccc(OC2CCN(c3ccnc(CO)c3)CC2)cc1 ZINC000858391894 652325176 /nfs/dbraw/zinc/32/51/76/652325176.db2.gz VAVZFKDMHBAWAF-UHFFFAOYSA-N 0 3 309.369 2.493 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852098614 652337975 /nfs/dbraw/zinc/33/79/75/652337975.db2.gz RJBXCWHCQYHDEJ-GOSISDBHSA-N 0 3 301.434 2.103 20 30 DEEDHN C#C[C@](C)(CC)NCC(=O)NCCOc1c(C)cccc1C ZINC000852100825 652338663 /nfs/dbraw/zinc/33/86/63/652338663.db2.gz BFJLIBPKZYRYMO-GOSISDBHSA-N 0 3 302.418 2.190 20 30 DEEDHN C#CCN(C)CCCNC(=O)NCc1cc2cc(C)ccc2o1 ZINC000852359351 652391390 /nfs/dbraw/zinc/39/13/90/652391390.db2.gz HLDHFKZGCUXPHF-UHFFFAOYSA-N 0 3 313.401 2.496 20 30 DEEDHN OC1CCN(c2ccc(C=NOC[C@@H]3CCOC3)cc2)CC1 ZINC000853337315 652539175 /nfs/dbraw/zinc/53/91/75/652539175.db2.gz ZAPULUFLQHMWIP-OAHLLOKOSA-N 0 3 304.390 2.035 20 30 DEEDHN OC1CCN(c2ccc(C=NN[C@@H]3CCSC3)cc2)CC1 ZINC000853346105 652539964 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C#CCCN(C)CCN(C)C(=O)COc1ccc(CC)cc1 ZINC001568504235 1158415942 /nfs/dbraw/zinc/41/59/42/1158415942.db2.gz WZAABHPBHJGVLW-UHFFFAOYSA-N 0 3 302.418 2.041 20 30 DEEDHN N#CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000355548791 685354258 /nfs/dbraw/zinc/35/42/58/685354258.db2.gz SJXJGEHSUZOGOR-AWEZNQCLSA-N 0 3 307.344 2.174 20 30 DEEDHN C[C@@H]1[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000928445596 693781846 /nfs/dbraw/zinc/78/18/46/693781846.db2.gz ZIXUREMWUBNGLA-RISCZKNCSA-N 0 3 310.319 2.266 20 30 DEEDHN C#CCCOc1ccc(CN2CCC(NC(C)=O)CC2)cc1 ZINC000092669871 684044565 /nfs/dbraw/zinc/04/45/65/684044565.db2.gz CSRMTTWOTOXFCV-UHFFFAOYSA-N 0 3 300.402 2.189 20 30 DEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccccc1OC(C)C ZINC000155478512 684273906 /nfs/dbraw/zinc/27/39/06/684273906.db2.gz YJIUTMMLAJJDOA-CQSZACIVSA-N 0 3 302.374 2.250 20 30 DEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCCO1)C2 ZINC001054091357 693839351 /nfs/dbraw/zinc/83/93/51/693839351.db2.gz QSPONVDEUSEQBO-MJGOQNOKSA-N 0 3 318.461 2.283 20 30 DEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2CC2CC2)CC1 ZINC000160201023 684327367 /nfs/dbraw/zinc/32/73/67/684327367.db2.gz XFWXQNBRJJDXAF-UHFFFAOYSA-N 0 3 317.437 2.455 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C(F)(F)F)C2 ZINC001054174823 693871038 /nfs/dbraw/zinc/87/10/38/693871038.db2.gz ATYJPUAZMWUFTK-OCCSQVGLSA-N 0 3 302.340 2.133 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccccc1OC)C2 ZINC001054231615 693892424 /nfs/dbraw/zinc/89/24/24/693892424.db2.gz VOKJBBSMBKLFMH-IBGZPJMESA-N 0 3 312.413 2.257 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC001054237629 693894597 /nfs/dbraw/zinc/89/45/97/693894597.db2.gz ZLIDWFCYMSZIFT-IBGZPJMESA-N 0 3 314.404 2.316 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1scnc1Cl)C2 ZINC001054241257 693895758 /nfs/dbraw/zinc/89/57/58/693895758.db2.gz OHJXSGVBLAABST-OAHLLOKOSA-N 0 3 323.849 2.358 20 30 DEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCc1nccs1)C2 ZINC001054240966 693896564 /nfs/dbraw/zinc/89/65/64/693896564.db2.gz GXDFSOLMZBWSFG-KRWDZBQOSA-N 0 3 317.458 2.023 20 30 DEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCc1cscn1)C2 ZINC001054249118 693900254 /nfs/dbraw/zinc/90/02/54/693900254.db2.gz MGXBLFMKVIQQOE-QGZVFWFLSA-N 0 3 317.458 2.023 20 30 DEEDHN C=CCN1Cc2ccc(CNC(=O)[C@H]3CCCCN3C)cc2C1 ZINC001054270331 693908708 /nfs/dbraw/zinc/90/87/08/693908708.db2.gz KWPQGVBBBHIZIH-GOSISDBHSA-N 0 3 313.445 2.289 20 30 DEEDHN Cc1cc(C)c(OCC(=O)C(C#N)C(=O)N2CCCC2)c(C)c1 ZINC000193353990 685038469 /nfs/dbraw/zinc/03/84/69/685038469.db2.gz LJBRTMOZGWLIKR-OAHLLOKOSA-N 0 3 314.385 2.322 20 30 DEEDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000929257270 693926209 /nfs/dbraw/zinc/92/62/09/693926209.db2.gz NZVRUZGXWNTBRU-RISCZKNCSA-N 0 3 304.781 2.379 20 30 DEEDHN C[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054322673 693930659 /nfs/dbraw/zinc/93/06/59/693930659.db2.gz UVAXSDKMYBVMGB-SKDRFNHKSA-N 0 3 313.373 2.211 20 30 DEEDHN C[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1NCc1ccc(C#N)s1 ZINC001054338917 693939031 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YQKRJGGPTVDJKI-IUODEOHRSA-N 0 3 304.438 2.239 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001033511217 689526773 /nfs/dbraw/zinc/52/67/73/689526773.db2.gz ZDPFKPHHXAEMBA-YOEHRIQHSA-N 0 3 312.413 2.180 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(OC)c2F)C1 ZINC001033530986 689534005 /nfs/dbraw/zinc/53/40/05/689534005.db2.gz TZNPAYLHMMRIJV-ZDUSSCGKSA-N 0 3 304.365 2.004 20 30 DEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001033607116 689557152 /nfs/dbraw/zinc/55/71/52/689557152.db2.gz MZIPCLHMTNOAKW-IRXDYDNUSA-N 0 3 318.461 2.282 20 30 DEEDHN C=C(Cl)CN1CC[C@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033632978 689566796 /nfs/dbraw/zinc/56/67/96/689566796.db2.gz JWYFWLAQGRSIKV-LBPRGKRZSA-N 0 3 318.808 2.462 20 30 DEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(OCC)cc2)C1 ZINC001033636414 689568413 /nfs/dbraw/zinc/56/84/13/689568413.db2.gz YNPLJSVFRABZEV-INIZCTEOSA-N 0 3 302.418 2.347 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cnc3ccccc3n2)C1 ZINC001033856198 689640929 /nfs/dbraw/zinc/64/09/29/689640929.db2.gz RZSDMQTYJPVKQI-HNNXBMFYSA-N 0 3 322.412 2.190 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033939299 689668215 /nfs/dbraw/zinc/66/82/15/689668215.db2.gz GYVREVAQWLPXGK-AEFFLSMTSA-N 0 3 314.404 2.412 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2coc(CC3CC3)n2)C1 ZINC001034005138 689690326 /nfs/dbraw/zinc/69/03/26/689690326.db2.gz RXKAMZQBWIJQST-OAHLLOKOSA-N 0 3 315.417 2.187 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(OC)n2)C1 ZINC001034007776 689690931 /nfs/dbraw/zinc/69/09/31/689690931.db2.gz PGIXMSVPMOTKJE-CQSZACIVSA-N 0 3 303.406 2.203 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034015865 689694850 /nfs/dbraw/zinc/69/48/50/689694850.db2.gz QGRGAJVVOSLNOF-GOEBONIOSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001034016730 689694931 /nfs/dbraw/zinc/69/49/31/689694931.db2.gz NXSKVNYHAMLDHE-HUUCEWRRSA-N 0 3 316.449 2.014 20 30 DEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001034016730 689694933 /nfs/dbraw/zinc/69/49/33/689694933.db2.gz NXSKVNYHAMLDHE-HUUCEWRRSA-N 0 3 316.449 2.014 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2nn(C)c3ccccc23)C1 ZINC001034021753 689696578 /nfs/dbraw/zinc/69/65/78/689696578.db2.gz VQUKYFFNAJAXCU-HNNXBMFYSA-N 0 3 324.428 2.133 20 30 DEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001034026185 689697299 /nfs/dbraw/zinc/69/72/99/689697299.db2.gz QBGSTQHPSXUQEH-IRXDYDNUSA-N 0 3 313.445 2.295 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034028048 689698330 /nfs/dbraw/zinc/69/83/30/689698330.db2.gz FCHOHGITQVANBZ-CQSZACIVSA-N 0 3 305.809 2.295 20 30 DEEDHN C=CCN(C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)C(C)(C)C ZINC000875826375 689700800 /nfs/dbraw/zinc/70/08/00/689700800.db2.gz QCACBDNJUNYAOD-HOTGVXAUSA-N 0 3 318.465 2.269 20 30 DEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001034034847 689701187 /nfs/dbraw/zinc/70/11/87/689701187.db2.gz GTOJDMWZKXNRKD-MRXNPFEDSA-N 0 3 324.428 2.202 20 30 DEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2COc3ccccc32)C1 ZINC001034057248 689708630 /nfs/dbraw/zinc/70/86/30/689708630.db2.gz STMNPAXJLFHSLN-DOTOQJQBSA-N 0 3 312.413 2.109 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001034223607 689770509 /nfs/dbraw/zinc/77/05/09/689770509.db2.gz QBAKSTHFPYHFMO-CYBMUJFWSA-N 0 3 322.840 2.164 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001034270511 689789429 /nfs/dbraw/zinc/78/94/29/689789429.db2.gz BUBHLVGKTSTLGG-LBPRGKRZSA-N 0 3 322.359 2.022 20 30 DEEDHN C=CCN1CCCC[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001034306892 689803424 /nfs/dbraw/zinc/80/34/24/689803424.db2.gz HMKFHPCSJQAHSO-HNNXBMFYSA-N 0 3 312.417 2.413 20 30 DEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(OC)ccn2)C1 ZINC001034345489 689816050 /nfs/dbraw/zinc/81/60/50/689816050.db2.gz RNVNIJMRIBGWBA-CQSZACIVSA-N 0 3 303.406 2.251 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000876503459 689841120 /nfs/dbraw/zinc/84/11/20/689841120.db2.gz KLSKIYBQMFQZMO-UONOGXRCSA-N 0 3 312.772 2.196 20 30 DEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(CCC)c2)C1 ZINC001034422487 689843655 /nfs/dbraw/zinc/84/36/55/689843655.db2.gz ALIDFRYJLTVSQA-INIZCTEOSA-N 0 3 304.438 2.454 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2csc3cncn32)C1 ZINC001034428787 689846877 /nfs/dbraw/zinc/84/68/77/689846877.db2.gz OXZHXYMWCFBILB-CYBMUJFWSA-N 0 3 316.430 2.003 20 30 DEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001034428756 689847279 /nfs/dbraw/zinc/84/72/79/689847279.db2.gz NZOSHIMQKPGAPZ-OAHLLOKOSA-N 0 3 302.422 2.072 20 30 DEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001034473072 689863556 /nfs/dbraw/zinc/86/35/56/689863556.db2.gz BSEXTGJZGSZWER-AWEZNQCLSA-N 0 3 301.390 2.160 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000876596546 689870901 /nfs/dbraw/zinc/87/09/01/689870901.db2.gz ALLWNWOQXBZEON-OAHLLOKOSA-N 0 3 318.808 2.018 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000876600183 689871730 /nfs/dbraw/zinc/87/17/30/689871730.db2.gz OXFGLRHBUQDCPH-AWEZNQCLSA-N 0 3 312.797 2.132 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)COCc1ccccc1 ZINC000876620613 689878416 /nfs/dbraw/zinc/87/84/16/689878416.db2.gz QQBBUFJCKCHFKH-SWLSCSKDSA-N 0 3 310.825 2.425 20 30 DEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001034528508 689886413 /nfs/dbraw/zinc/88/64/13/689886413.db2.gz OJQBVZQNZPLBTK-CQSZACIVSA-N 0 3 315.417 2.046 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000876683039 689900811 /nfs/dbraw/zinc/90/08/11/689900811.db2.gz PBBFNQIJTYHFHC-VHDGCEQUSA-N 0 3 308.809 2.445 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000876682938 689900632 /nfs/dbraw/zinc/90/06/32/689900632.db2.gz NYXPMOZNXINMBN-ZYHUDNBSSA-N 0 3 300.761 2.179 20 30 DEEDHN COC(=O)[C@]1(C)CCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876782726 689935970 /nfs/dbraw/zinc/93/59/70/689935970.db2.gz UHMVNYQYLLBHAZ-QGZVFWFLSA-N 0 3 301.390 2.009 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1noc(-c2ccccc2C)n1 ZINC000876893055 689966370 /nfs/dbraw/zinc/96/63/70/689966370.db2.gz HOCWPLZDJFUCLV-LBPRGKRZSA-N 0 3 320.780 2.131 20 30 DEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000876941699 689978402 /nfs/dbraw/zinc/97/84/02/689978402.db2.gz OPMASXWSVLBIGO-RVMXOQNASA-N 0 3 302.846 2.412 20 30 DEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000876973801 689987239 /nfs/dbraw/zinc/98/72/39/689987239.db2.gz PSRBMMZLVJUETD-LSDHHAIUSA-N 0 3 307.825 2.194 20 30 DEEDHN N#Cc1ccc(C2(C(=O)N3CC[C@@H](F)[C@H](N)C3)CCCC2)cc1 ZINC000876978237 689988617 /nfs/dbraw/zinc/98/86/17/689988617.db2.gz HLCOQXREGDLMMY-HZPDHXFCSA-N 0 3 315.392 2.268 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001035010934 690008527 /nfs/dbraw/zinc/00/85/27/690008527.db2.gz MTELYDIQYQXTTH-MRXNPFEDSA-N 0 3 316.449 2.468 20 30 DEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001035012199 690008796 /nfs/dbraw/zinc/00/87/96/690008796.db2.gz VOYMETNDLJFGQO-OAHLLOKOSA-N 0 3 304.438 2.103 20 30 DEEDHN CC(C)C[C@H](N)C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000877175166 690038027 /nfs/dbraw/zinc/03/80/27/690038027.db2.gz HPSJAVFWTYGNFI-INIZCTEOSA-N 0 3 314.433 2.017 20 30 DEEDHN C=C(Cl)C(C)(C)C(=O)N1CCC2(CN(C[C@H](C)O)C2)CC1 ZINC001035714150 690158773 /nfs/dbraw/zinc/15/87/73/690158773.db2.gz OAYYOLFVJXKDON-LBPRGKRZSA-N 0 3 314.857 2.070 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(OCC)no1)CC2 ZINC001035750966 690167629 /nfs/dbraw/zinc/16/76/29/690167629.db2.gz IMUAQNNJZBQUCU-UHFFFAOYSA-N 0 3 319.405 2.187 20 30 DEEDHN C=C1CCC(C(=O)N2CCC3(CN(C[C@H](C)O)C3)CC2)CC1 ZINC001035787232 690176097 /nfs/dbraw/zinc/17/60/97/690176097.db2.gz NFLLLCPCBZZRIL-HNNXBMFYSA-N 0 3 306.450 2.038 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCOC[C@H]1C)CC2 ZINC001035789473 690176631 /nfs/dbraw/zinc/17/66/31/690176631.db2.gz OZVJSRXVGHUMRF-HZPDHXFCSA-N 0 3 306.450 2.160 20 30 DEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c[nH]c(=O)cc1C)CC2 ZINC001035793274 690177181 /nfs/dbraw/zinc/17/71/81/690177181.db2.gz GXLZYZLBDJGSNR-UHFFFAOYSA-N 0 3 315.417 2.210 20 30 DEEDHN CC[C@@H](C)[C@H](CN1CCN(c2ccc(C#N)nc2)CC1)OC ZINC000877645279 690178216 /nfs/dbraw/zinc/17/82/16/690178216.db2.gz HANKFCNQVNVCHH-PBHICJAKSA-N 0 3 302.422 2.136 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@@H]1OC)CC2 ZINC001035861800 690196029 /nfs/dbraw/zinc/19/60/29/690196029.db2.gz RDISYVIYEKQXEZ-SJORKVTESA-N 0 3 318.461 2.139 20 30 DEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)C[C@H]1CCCO1)CC2 ZINC001035861895 690196142 /nfs/dbraw/zinc/19/61/42/690196142.db2.gz SWLAOLVEHFBZRE-DLBZAZTESA-N 0 3 318.461 2.139 20 30 DEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cnns3)[C@@H](C)C2)C1 ZINC001036168616 690279886 /nfs/dbraw/zinc/27/98/86/690279886.db2.gz JAPNUJPPWNOUNL-GXTWGEPZSA-N 0 3 320.462 2.221 20 30 DEEDHN COC[C@@H]1CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878122569 690317229 /nfs/dbraw/zinc/31/72/29/690317229.db2.gz CHAQPYJPEXVJOQ-SJLPKXTDSA-N 0 3 300.402 2.395 20 30 DEEDHN C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNCc1cncs1 ZINC001036550655 690382810 /nfs/dbraw/zinc/38/28/10/690382810.db2.gz ZCFMTAHBABOWMU-BBRMVZONSA-N 0 3 317.458 2.273 20 30 DEEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000878640469 690463338 /nfs/dbraw/zinc/46/33/38/690463338.db2.gz ILUQNEBDDKRHEB-BHIYHBOVSA-N 0 3 311.429 2.063 20 30 DEEDHN C=C(Br)CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000878872663 690518511 /nfs/dbraw/zinc/51/85/11/690518511.db2.gz DLFFGJBSPOVMFV-NWDGAFQWSA-N 0 3 304.228 2.195 20 30 DEEDHN C#CCN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CSC1 ZINC000878910036 690525437 /nfs/dbraw/zinc/52/54/37/690525437.db2.gz MQLGNJPUTRQAQQ-HNNXBMFYSA-N 0 3 314.454 2.199 20 30 DEEDHN N#Cc1ccc(F)cc1CNC[C@H]1CCC[C@@H]1NC(=O)C1CC1 ZINC001036917919 690527875 /nfs/dbraw/zinc/52/78/75/690527875.db2.gz DKHJQJLXVURUKA-PBHICJAKSA-N 0 3 315.392 2.482 20 30 DEEDHN COc1cc(C#N)ccc1OCCN1C[C@H](OC)CC[C@@H]1C ZINC000879320344 690618448 /nfs/dbraw/zinc/61/84/48/690618448.db2.gz HULOVROSCKUCQG-DZGCQCFKSA-N 0 3 304.390 2.445 20 30 DEEDHN CC[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nccs1 ZINC001037839887 690620864 /nfs/dbraw/zinc/62/08/64/690620864.db2.gz OQFJFTRCWLRDMR-LSDHHAIUSA-N 0 3 317.458 2.273 20 30 DEEDHN CC(C)(NCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCCO1 ZINC000879407917 690635666 /nfs/dbraw/zinc/63/56/66/690635666.db2.gz RXSBXNUDWVXMCZ-HNNXBMFYSA-N 0 3 301.390 2.434 20 30 DEEDHN COC(=O)C[C@@](C)(NCc1cc(C#N)ccc1OC)C1CC1 ZINC000879442187 690642395 /nfs/dbraw/zinc/64/23/95/690642395.db2.gz NUJLEOPGFSYWFX-QGZVFWFLSA-N 0 3 302.374 2.388 20 30 DEEDHN COc1ccc([C@H]2CN(Cc3nc(C#N)cs3)CCN2)cc1 ZINC000879524051 690661669 /nfs/dbraw/zinc/66/16/69/690661669.db2.gz RKRJXXKRXGXRPU-OAHLLOKOSA-N 0 3 314.414 2.170 20 30 DEEDHN CC1(C)C[C@H](O)CN(CCC(=O)Nc2sccc2C#N)C1 ZINC000879616114 690687697 /nfs/dbraw/zinc/68/76/97/690687697.db2.gz DEHMCGGXHPLTFP-LBPRGKRZSA-N 0 3 307.419 2.041 20 30 DEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001038282955 690768181 /nfs/dbraw/zinc/76/81/81/690768181.db2.gz 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C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnn(CCC)c1 ZINC001049758244 692988999 /nfs/dbraw/zinc/98/89/99/692988999.db2.gz IHAOYIPWPOFKFE-HOTGVXAUSA-N 0 3 302.422 2.158 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnn(CCC)c1 ZINC001049758245 692989255 /nfs/dbraw/zinc/98/92/55/692989255.db2.gz IHAOYIPWPOFKFE-HZPDHXFCSA-N 0 3 302.422 2.158 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001049778909 692997940 /nfs/dbraw/zinc/99/79/40/692997940.db2.gz RMYHJJAPCAHPRS-NXOAAHMSSA-N 0 3 304.434 2.219 20 30 DEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)COc1ccccc1F ZINC001049888661 693037622 /nfs/dbraw/zinc/03/76/22/693037622.db2.gz IRBLCFGKKAINRC-HZPDHXFCSA-N 0 3 318.392 2.456 20 30 DEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc2n1CCCC2 ZINC001049908959 693044654 /nfs/dbraw/zinc/04/46/54/693044654.db2.gz OHYVLJAQOGPJNL-JKSUJKDBSA-N 0 3 314.433 2.084 20 30 DEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001049922560 693049120 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C#Cc1ccccc1CC(=O)N1CCC[C@H]2CN(CC#CC)C[C@H]21 ZINC001050191331 693134904 /nfs/dbraw/zinc/13/49/04/693134904.db2.gz RBTGPTMWKRTLSJ-VQTJNVASSA-N 0 3 320.436 2.157 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cccs3)C2)CC1 ZINC001050412506 693176818 /nfs/dbraw/zinc/17/68/18/693176818.db2.gz HOJLMYBPSMLKKX-UHFFFAOYSA-N 0 3 302.443 2.238 20 30 DEEDHN COc1ccc(CNC(=O)CN[C@@H](C)CC(C)(C)C#N)cc1 ZINC000924821641 693190491 /nfs/dbraw/zinc/19/04/91/693190491.db2.gz GYLKCLRXXBKWAZ-ZDUSSCGKSA-N 0 3 303.406 2.229 20 30 DEEDHN CCC(C#N)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)OC ZINC000924860954 693194151 /nfs/dbraw/zinc/19/41/51/693194151.db2.gz HEWFGYJDYWGROT-RISCZKNCSA-N 0 3 314.341 2.183 20 30 DEEDHN C=C(CN1C(=O)N[C@@H](CN2CCCCC2)C1=O)c1ccccc1 ZINC000924880231 693196407 /nfs/dbraw/zinc/19/64/07/693196407.db2.gz ZUFAXJAVBPOUPJ-INIZCTEOSA-N 0 3 313.401 2.106 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)c3sccc3F)C2)CC1 ZINC001050510677 693198426 /nfs/dbraw/zinc/19/84/26/693198426.db2.gz GNYFFPKZHYAQMV-UHFFFAOYSA-N 0 3 306.406 2.449 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3ccsc3COC)C2)CC1 ZINC001050562196 693206987 /nfs/dbraw/zinc/20/69/87/693206987.db2.gz PROPEGPDQBWHCA-UHFFFAOYSA-N 0 3 318.442 2.066 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)CCc3ccccc3C)C2)CC1 ZINC001050679938 693230671 /nfs/dbraw/zinc/23/06/71/693230671.db2.gz XIVGCXMAJIOPCJ-UHFFFAOYSA-N 0 3 310.441 2.485 20 30 DEEDHN CC#CCN1CCC2(CN(C(=O)CC[C@H]3CCCOC3)C2)CC1 ZINC001050712448 693236797 /nfs/dbraw/zinc/23/67/97/693236797.db2.gz DJFDYAGSDDDSHR-QGZVFWFLSA-N 0 3 318.461 2.141 20 30 DEEDHN C#CCN1CCC2(CN(C(=O)c3oc(CC)cc3C)C2)CC1 ZINC001050731665 693239869 /nfs/dbraw/zinc/23/98/69/693239869.db2.gz MCNAYWHKTOLIDG-UHFFFAOYSA-N 0 3 300.402 2.322 20 30 DEEDHN C=CCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001050948565 693272496 /nfs/dbraw/zinc/27/24/96/693272496.db2.gz AOMAWJMWFRXYPW-CVEARBPZSA-N 0 3 323.481 2.036 20 30 DEEDHN C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)CC1 ZINC001051982155 693423524 /nfs/dbraw/zinc/42/35/24/693423524.db2.gz 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CCN(CCNC(=O)[C@H](C)C#N)Cc1ccc(C)c(OC)c1 ZINC001372289193 1156343323 /nfs/dbraw/zinc/34/33/23/1156343323.db2.gz QXQCGFQSNZOKLY-CQSZACIVSA-N 0 3 303.406 2.101 20 30 DEEDHN C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001391787619 1156803201 /nfs/dbraw/zinc/80/32/01/1156803201.db2.gz NZRKNPPFCOVACA-ZFWWWQNUSA-N 0 3 300.830 2.183 20 30 DEEDHN C=C(Cl)CNC[C@@](C)(NC(=O)Cc1c(C)n[nH]c1C)C1CC1 ZINC001391801019 1156805291 /nfs/dbraw/zinc/80/52/91/1156805291.db2.gz VHOSIYKGNONOOZ-MRXNPFEDSA-N 0 3 324.856 2.196 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C1(COC)CCC1)C(C)C ZINC001392229375 1156898947 /nfs/dbraw/zinc/89/89/47/1156898947.db2.gz NRCKPMBXGPEDQD-ZDUSSCGKSA-N 0 3 302.846 2.286 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001403470319 1162892457 /nfs/dbraw/zinc/89/24/57/1162892457.db2.gz HKKJZSXPMGYUMP-DGCLKSJQSA-N 0 3 324.856 2.316 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](CNCc1cncs1)C1CCCCC1 ZINC001374357753 1157825658 /nfs/dbraw/zinc/82/56/58/1157825658.db2.gz 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20 30 DEEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)COC(C)(C)C ZINC001401617063 1162047392 /nfs/dbraw/zinc/04/73/92/1162047392.db2.gz LLOUSRSQGWBYTA-GFCCVEGCSA-N 0 3 321.396 2.107 20 30 DEEDHN CC(=O)CCCC(=O)N[C@@H](C)CNCc1ccc(C#N)c(F)c1 ZINC001401673647 1162069898 /nfs/dbraw/zinc/06/98/98/1162069898.db2.gz URDKBHDHYCALBQ-LBPRGKRZSA-N 0 3 319.380 2.051 20 30 DEEDHN CO[C@H](C)CCC(=O)N[C@@H](C)CNCc1ccc(F)c(C#N)c1 ZINC001401677953 1162072691 /nfs/dbraw/zinc/07/26/91/1162072691.db2.gz VEUFLRSOKBGRQD-QWHCGFSZSA-N 0 3 321.396 2.107 20 30 DEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CN(C)CCOc1ccc(Cl)cc1 ZINC001401736964 1162100817 /nfs/dbraw/zinc/10/08/17/1162100817.db2.gz RVDHOGRZTNZWOP-OLZOCXBDSA-N 0 3 323.824 2.315 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001404041453 1163394944 /nfs/dbraw/zinc/39/49/44/1163394944.db2.gz OYRFKQJSVBHJNS-JSGCOSHPSA-N 0 3 305.809 2.438 20 30 DEEDHN CC[C@H](CNC(=O)Cc1ccoc1)NCc1ccc(C#N)s1 ZINC001405212556 1164016362 /nfs/dbraw/zinc/01/63/62/1164016362.db2.gz KCVSGVPQDSJAEM-CYBMUJFWSA-N 0 3 317.414 2.440 20 30 DEEDHN C=C(Cl)CNC[C@@]1(NC(=O)c2ccn(C)n2)CCCC[C@@H]1C ZINC001405453922 1164099853 /nfs/dbraw/zinc/09/98/53/1164099853.db2.gz CYBAODYRNAXSSL-LRDDRELGSA-N 0 3 324.856 2.441 20 30 DEEDHN C=C(Cl)CN[C@@H](CNC(=O)C[C@@H](C)n1cccn1)C(C)C ZINC001406081355 1164432070 /nfs/dbraw/zinc/43/20/70/1164432070.db2.gz VKMGBNJNOXKTBJ-KGLIPLIRSA-N 0 3 312.845 2.317 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)C1(C(F)F)CC1 ZINC001406353310 1164549431 /nfs/dbraw/zinc/54/94/31/1164549431.db2.gz NICNXZHLOQRYNR-SECBINFHSA-N 0 3 313.373 2.259 20 30 DEEDHN C=C(Cl)CN1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001417896871 1167290656 /nfs/dbraw/zinc/29/06/56/1167290656.db2.gz UCRGSMBVJSVFFY-UHFFFAOYSA-N 0 3 313.873 2.146 20 30 DEEDHN CC(C)c1cccc(CN[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001417969846 1167336380 /nfs/dbraw/zinc/33/63/80/1167336380.db2.gz PGMQCPUSQMFCQK-DYVFJYSZSA-N 0 3 314.433 2.349 20 30 DEEDHN Cc1ccc(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)n1C ZINC001418194801 1167476055 /nfs/dbraw/zinc/47/60/55/1167476055.db2.gz IHBONZUFGJLRDK-LLVKDONJSA-N 0 3 316.430 2.175 20 30 DEEDHN CS[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001418207880 1167489422 /nfs/dbraw/zinc/48/94/22/1167489422.db2.gz GKDURQSYMGZSTM-RYUDHWBXSA-N 0 3 323.437 2.433 20 30 DEEDHN CCCc1nc(C)c(CN[C@H](C)CCNC(=O)[C@@H](C)C#N)o1 ZINC001418394677 1167624135 /nfs/dbraw/zinc/62/41/35/1167624135.db2.gz KPUYADXFIDXVHO-NWDGAFQWSA-N 0 3 306.410 2.080 20 30 DEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnns1 ZINC001419068960 1168174570 /nfs/dbraw/zinc/17/45/70/1168174570.db2.gz PJZRDMVFMZHXHD-QWRGUYRKSA-N 0 3 314.842 2.263 20 30 DEEDHN CC[C@H](CNC(=O)c1nocc1C)NCc1ccc(C#N)s1 ZINC001419258041 1168352426 /nfs/dbraw/zinc/35/24/26/1168352426.db2.gz TWIYCFRLWBRVOT-LLVKDONJSA-N 0 3 318.402 2.214 20 30 DEEDHN Cc1ccn(C)c1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001419460956 1168507509 /nfs/dbraw/zinc/50/75/09/1168507509.db2.gz MIZHQSJOTKJVFC-CQSZACIVSA-N 0 3 324.428 2.361 20 30 DEEDHN COc1ccc(Cl)cc1CNC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001420275159 1169309970 /nfs/dbraw/zinc/30/99/70/1169309970.db2.gz ZBDVJKAKHPZVJP-WDEREUQCSA-N 0 3 309.797 2.103 20 30 DEEDHN N#Cc1ccc(C(=O)NCCN(Cc2ccccc2)C2CC2)[nH]1 ZINC001420651251 1169853033 /nfs/dbraw/zinc/85/30/33/1169853033.db2.gz RSMQWLRRBRVICW-UHFFFAOYSA-N 0 3 308.385 2.281 20 30 DEEDHN CC[C@H](CNC(=O)[C@@H](C)SC)NCc1ccc(C#N)c(F)c1 ZINC001421389008 1171763077 /nfs/dbraw/zinc/76/30/77/1171763077.db2.gz DDFVZBIPNYRYQA-BXUZGUMPSA-N 0 3 323.437 2.433 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)CC2(O)CCC2)CCCC1 ZINC001421511578 1171828431 /nfs/dbraw/zinc/82/84/31/1171828431.db2.gz ZOXHDWSWELNKJJ-UHFFFAOYSA-N 0 3 300.830 2.063 20 30 DEEDHN CCc1onc(C)c1CNC[C@@](C)(NC(=O)[C@H](C)C#N)C1CC1 ZINC001421543411 1171840860 /nfs/dbraw/zinc/84/08/60/1171840860.db2.gz IRDFXPIATYSEPX-PIGZYNQJSA-N 0 3 318.421 2.080 20 30 DEEDHN C=C(Cl)CNC[C@]1(NC(=O)c2cccnn2)CCCC[C@@H]1C ZINC001421582963 1171857714 /nfs/dbraw/zinc/85/77/14/1171857714.db2.gz ZQGAAZGCOSFTRA-BLLLJJGKSA-N 0 3 322.840 2.497 20 30 DEEDHN COCCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001421820947 1172015296 /nfs/dbraw/zinc/01/52/96/1172015296.db2.gz JXMYKJDAUAWSKE-KRWDZBQOSA-N 0 3 315.417 2.065 20 30 DEEDHN C[C@@H](CNC(=O)C[C@H]1CCCO1)N(C)Cc1cccc(C#N)c1 ZINC001422473113 1172621906 /nfs/dbraw/zinc/62/19/06/1172621906.db2.gz GTJUGYUFTWXGGX-WMLDXEAASA-N 0 3 315.417 2.064 20 30 DEEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC1(C)CC1 ZINC001422527661 1172677095 /nfs/dbraw/zinc/67/70/95/1172677095.db2.gz DKDJQZFYIFAFGS-GFCCVEGCSA-N 0 3 303.381 2.482 20 30 DEEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001422915025 1172928612 /nfs/dbraw/zinc/92/86/12/1172928612.db2.gz UEFUTHHFNAMELI-HAQNSBGRSA-N 0 3 310.829 2.213 20 30 DEEDHN Cc1nsc(C)c1CNC[C@@H](C1CC1)N(C)C(=O)[C@H](C)C#N ZINC001422985901 1172999592 /nfs/dbraw/zinc/99/95/92/1172999592.db2.gz KEFJSDOBFDQTQD-BMIGLBTASA-N 0 3 320.462 2.246 20 30 DEEDHN COc1ccc(Cl)cc1CN[C@H](C)CN(C)C(=O)[C@H](C)C#N ZINC001423046582 1173041672 /nfs/dbraw/zinc/04/16/72/1173041672.db2.gz KNFRRJPCZMHCNY-VXGBXAGGSA-N 0 3 323.824 2.445 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001424722915 1173887488 /nfs/dbraw/zinc/88/74/88/1173887488.db2.gz BJDQBXREHMLJKO-UHFFFAOYSA-N 0 3 318.808 2.365 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001424729637 1173889937 /nfs/dbraw/zinc/88/99/37/1173889937.db2.gz YPAATFHBCZHTOL-UHFFFAOYSA-N 0 3 318.808 2.413 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)c1cnn2c1CCC2 ZINC001424867471 1174000847 /nfs/dbraw/zinc/00/08/47/1174000847.db2.gz DMXOXQDTFUHBIK-UHFFFAOYSA-N 0 3 324.856 2.270 20 30 DEEDHN C[C@@H](C#N)C(=O)N[C@H](CNCc1cncc(F)c1)C(C)(C)C ZINC001426148651 1174618649 /nfs/dbraw/zinc/61/86/49/1174618649.db2.gz ZLRNWTUPXSYYDE-SMDDNHRTSA-N 0 3 306.385 2.001 20 30 DEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CCCn2ccnc2C)C1 ZINC001426236594 1174664633 /nfs/dbraw/zinc/66/46/33/1174664633.db2.gz YXPSLAGIDHAJRP-UHFFFAOYSA-N 0 3 324.856 2.303 20 30 DEEDHN Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)c1 ZINC001436382383 1179071860 /nfs/dbraw/zinc/07/18/60/1179071860.db2.gz KZWAARNNQRJEMI-YDHLFZDLSA-N 0 3 303.381 2.278 20 30 DEEDHN C[C@@H](C#N)C(=O)NC[C@H](C)NCc1cc(Cl)cc2c1OCC2 ZINC001437129061 1179456764 /nfs/dbraw/zinc/45/67/64/1179456764.db2.gz SRUMIQHXKOQYNG-QWRGUYRKSA-N 0 3 321.808 2.029 20 30 DEEDHN COc1ccc(CN[C@H](C)CNC(=O)C2CC(C)C2)cc1C#N ZINC001437130588 1179459960 /nfs/dbraw/zinc/45/99/60/1179459960.db2.gz XHIIRGYWDJQAHP-JVWICGRDSA-N 0 3 315.417 2.207 20 30 DEEDHN C[C@@H](CNC(=O)CC1(C)CC1)NCc1ccc(F)c(C#N)c1 ZINC001437188081 1179532563 /nfs/dbraw/zinc/53/25/63/1179532563.db2.gz YGKVOYCIKCBBIC-LBPRGKRZSA-N 0 3 303.381 2.482 20 30 DEEDHN C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001438216635 1180237861 /nfs/dbraw/zinc/23/78/61/1180237861.db2.gz CHEGAWYFUYSOKQ-KSSFIOAISA-N 0 3 311.429 2.368 20 30 DEEDHN C=C(Cl)CNC1(CNC(=O)c2cnnc(C)c2)CCCC1 ZINC001438588474 1180634222 /nfs/dbraw/zinc/63/42/22/1180634222.db2.gz GYZOJWHVLIWFGG-UHFFFAOYSA-N 0 3 308.813 2.170 20 30 DEEDHN C=C(Cl)CNCC1CC(NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001440743162 1181669837 /nfs/dbraw/zinc/66/98/37/1181669837.db2.gz FSRNFXJLTJXKBX-LMWSTFAQSA-N 0 3 300.830 2.038 20 30 DEEDHN Cc1ncoc1C(=O)N[C@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC001440775908 1181684823 /nfs/dbraw/zinc/68/48/23/1181684823.db2.gz KVJRFWSXULHFTA-NXEZZACHSA-N 0 3 318.402 2.213 20 30 DEEDHN Cc1c(C(=O)NC[C@@H](C)N(C)Cc2cccc(C#N)c2)ccn1C ZINC001440965663 1181803143 /nfs/dbraw/zinc/80/31/43/1181803143.db2.gz HMLRYSZXCJQAKH-CQSZACIVSA-N 0 3 324.428 2.456 20 30 DEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CCC2CC2)C1 ZINC001441388262 1181970805 /nfs/dbraw/zinc/97/08/05/1181970805.db2.gz SYLMODVQTOQLDQ-HAQNSBGRSA-N 0 3 301.228 2.322 20 30 DEEDHN Cc1c[nH]cc1C(=O)NC[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC001442044011 1182298243 /nfs/dbraw/zinc/29/82/43/1182298243.db2.gz DQQWEMNXBVTCDX-GFCCVEGCSA-N 0 3 314.364 2.242 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001442272153 1182398501 /nfs/dbraw/zinc/39/85/01/1182398501.db2.gz HIGVAMYBBRJHDA-LLVKDONJSA-N 0 3 306.797 2.413 20 30 DEEDHN C=C(Cl)CN[C@H](C)CCNC(=O)Cc1cn2ccccc2n1 ZINC001442279040 1182401909 /nfs/dbraw/zinc/40/19/09/1182401909.db2.gz XHGLLLIUHVOWRT-CYBMUJFWSA-N 0 3 320.824 2.114 20 30 DEEDHN CCC(=O)NC[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC001442773075 1182701911 /nfs/dbraw/zinc/70/19/11/1182701911.db2.gz UWJPOFNPGIHOLA-OAHLLOKOSA-N 0 3 301.390 2.080 20 30 DEEDHN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)CCn1ccnc1 ZINC001444818650 1183569403 /nfs/dbraw/zinc/56/94/03/1183569403.db2.gz CCTZGLSDKUOUSI-UKRRQHHQSA-N 0 3 324.856 2.242 20 30 DEEDHN Cc1ncccc1CN1CCC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001446654940 1184475154 /nfs/dbraw/zinc/47/51/54/1184475154.db2.gz ALAJITONRNCZBV-KBXCAEBGSA-N 0 3 314.433 2.268 20 30 DEEDHN C=C(Cl)CNCC1(NC(=O)[C@@H]2C[C@H]2C(C)C)CCOCC1 ZINC001447498974 1184790978 /nfs/dbraw/zinc/79/09/78/1184790978.db2.gz ORQFWLOHVLSFQM-UONOGXRCSA-N 0 3 314.857 2.286 20 30 DEEDHN C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001447974387 1184986170 /nfs/dbraw/zinc/98/61/70/1184986170.db2.gz XYGXLZGJIREMAR-MCIONIFRSA-N 0 3 314.857 2.381 20 30 DEEDHN CO[C@H](C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1)C(C)C ZINC001448085654 1185065365 /nfs/dbraw/zinc/06/53/65/1185065365.db2.gz MQEVZNCSUWUTSO-PBHICJAKSA-N 0 3 317.433 2.166 20 30 DEEDHN C=CCN(C)CCN(CC)C(=O)CCc1nc(C(C)C)no1 ZINC001448883204 1185446532 /nfs/dbraw/zinc/44/65/32/1185446532.db2.gz MGMCGAQILQMTNL-UHFFFAOYSA-N 0 3 308.426 2.092 20 30 DEEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC/C=C\Cl ZINC001449074919 1185519831 /nfs/dbraw/zinc/51/98/31/1185519831.db2.gz RLBZUHOSMLIPMR-RJNRQISESA-N 0 3 306.797 2.079 20 30 DEEDHN